Identifier,EC,CAS,NAME,IUPAC,SMILES,fixed_SMILES,INCHI,MOLFORMULA,Registration_Type,Submission_Type,Total_tonnage_Band,Factsheet_URL,Substance_Information_Page,InChIKey,Preferable_Ionization,MB_Records_Positive_Ionization,Adduct_Positive_Ionization,Ionisation_type_CE_Positive_Ionization,Fragments_Positive_Ionization,Institute_Positive_Ionization,MB_Records_Negative_Ionization,Adduct_Negative_Ionization,Ionisation_type_CE_Negative_Ionization,Fragments_Negative_Ionization,Institute_Negative_Ionization
100.001.218,201-338-3,81-26-5,"2,2'-dimethyl-1,1'-bianthraquinone","2,2'-dimethyl-1,1'-bianthracene-9,9',10,10'-tetrone",Cc1ccc2C(=O)c3ccccc3C(=O)c2c1c4c(C)ccc5C(=O)c6ccccc6C(=O)c45,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1c4c(C)ccc5C(=O)c6ccccc6C(=O)c45,"InChI=1/C30H18O4/c1-15-11-13-21-25(29(33)19-9-5-3-7-17(19)27(21)31)23(15)24-16(2)12-14-22-26(24)30(34)20-10-6-4-8-18(20)28(22)32/h3-14H,1-2H3",C30H18O4,,,,,,SOHQSWHUIQYXPT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.222,201-343-0,81-32-3,"Perylene-3,4,9,10-tetracarboxylic acid","perylene-3,4,9,10-tetracarboxylic acid",OC(=O)c1ccc2c3ccc(C(=O)O)c4c(ccc(c5ccc(C(=O)O)c1c25)c34)C(=O)O,OC(=O)c1ccc2c3ccc(C(=O)O)c4c(ccc(c5ccc(C(=O)O)c1c25)c34)C(=O)O,"InChI=1/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)",C24H12O8,,,,,,FVDOBFPYBSDRKH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.224,201-345-1,81-37-8,"2,8-dimethylnaphtho[3,2,1-kl]xanthene","2,8-dimethylnaphtho[3,2,1-kl]xanthene",Cc1ccc2Oc3ccc(C)c4cc5ccccc5c(c2c1)c34,Cc1ccc2Oc3ccc(C)c4cc5ccccc5c(c2c1)c34,"InChI=1/C22H16O/c1-13-7-9-19-18(11-13)21-16-6-4-3-5-15(16)12-17-14(2)8-10-20(23-19)22(17)21/h3-12H,1-2H3",C22H16O,,,,,,WYVHNCGXVPMYQK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.225,201-346-7,81-39-0,"3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione","3-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione",CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5)ccc1c24,CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5)ccc1c24,"InChI=1/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3",C24H18N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17364,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.225,VJUKWPOWHJITTP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.226,201-347-2,81-41-4,"1,4-diamino-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile","1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile",Nc1c(C#N)c(C#N)c(N)c2C(=O)c3ccccc3C(=O)c12,Nc1c(C#N)c(C#N)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H8N4O2/c17-5-9-10(6-18)14(20)12-11(13(9)19)15(21)7-3-1-2-4-8(7)16(12)22/h1-4H,19-20H2",C16H8N4O2,,,,,,QUZJFTXRXJQLBH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.235,201-357-7,81-52-7,"2-bromo-1,4-dihydroxyanthraquinone","2-bromo-1,4-dihydroxy-9,10-anthraquinone",Oc1cc(Br)c(O)c2C(=O)c3ccccc3C(=O)c12,Oc1cc(Br)c(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H7BrO4/c15-8-5-9(16)10-11(14(8)19)13(18)7-4-2-1-3-6(7)12(10)17/h1-5,16,19H",C14H7BrO4,,,,,,BPUAQNKWCBCCAA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.236,201-358-2,81-53-8,"2-chloro-1,4-dihydroxyanthraquinone","2-chloro-1,4-dihydroxy-9,10-anthraquinone",Oc1cc(Cl)c(O)c2C(=O)c3ccccc3C(=O)c12,Oc1cc(Cl)c(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H7ClO4/c15-8-5-9(16)10-11(14(8)19)13(18)7-4-2-1-3-6(7)12(10)17/h1-5,16,19H",C14H7ClO4,,,,,,UJCPMVFRZRPROL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.240,201-362-4,81-58-3,"1,4,5,8-tetrachloroanthraquinone","1,4,5,8-tetrachloro-9,10-anthraquinone",Clc1ccc(Cl)c2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c12,Clc1ccc(Cl)c2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c12,InChI=1/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,C14H4Cl4O2,,,,,,DUJPMUKIEFLXRE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.241,201-364-5,81-59-4,"2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone","1,4,5,8-tetrahydroxy-2,3-dihydroanthracene-9,10-dione",OC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(O)CC1,OC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(O)CC1,"InChI=1/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-2,15-18H,3-4H2",C14H10O6,,,,,,YEQJLOBHABHMCV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.126,202-338-6,94-49-5,Ethylene dibenzoate,"ethane-1,2-diyl dibenzoate",O=C(OCCOC(=O)c1ccccc1)c2ccccc2,O=C(OCCOC(=O)c1ccccc1)c2ccccc2,"InChI=1/C16H14O4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2",C16H14O4,,,,,,XFDQLDNQZFOAFK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.127,202-339-1,94-50-8,Octyl benzoate,octyl benzoate,CCCCCCCCOC(=O)c1ccccc1,CCCCCCCCOC(=O)c1ccccc1,"InChI=1/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3",C15H22O2,,,,,,VECVSKFWRQYTAL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.132,202-344-9,94-58-6,"5-propyl-1,3-benzodioxole","5-propyl-1,3-benzodioxole",CCCc1ccc2OCOc2c1,CCCc1ccc2OCOc2c1,"InChI=1/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3",C10H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12771,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.132,MYEIDJPOUKASEC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.137,202-350-1,94-64-4,2-chlorobenzylmethylamine,1-(2-chlorophenyl)-N-methylmethanamine,CNCc1ccccc1Cl,CNCc1ccccc1Cl,"InChI=1/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3",C8H10ClN,,,,,,DIWGZVQKFSFNLH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.139,202-352-2,94-66-6,2-allylcyclohexan-1-one,2-allylcyclohexanone,C=CCC1CCCCC1=O,C=CCC1CCCCC1=O,"InChI=1/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2",C9H14O,,,,,,UPGHEUSRLZSXAE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.141,202-354-3,94-68-8,N-ethyl-o-toluidine,N-ethyl-2-methylaniline,CCNc1ccccc1C,CCNc1ccccc1C,"InChI=1/C9H13N/c1-3-10-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3",C9H13N,,,,,,MWOUGPLLVVEUMM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.146,202-360-6,94-74-6,(4-chloro-2-methylphenoxy)acetic acid,(4-chloro-2-methylphenoxy)acetic acid,Cc1cc(Cl)ccc1OCC(=O)O,Cc1cc(Cl)ccc1OCC(=O)O,"InChI=1/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",C9H9ClO3,,,,,,WHKUVVPPKQRRBV-UHFFFAOYSA-N,Negative,,,,,,SM842156;EA026151|EA026152|EA026153|EA026154|EA026155|EA026156|EA026157|EA026158|EA026159|EA026160|EA026161|EA026162|EA026163|EA026164;ML000251,[M-H]-;[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD50,141.0112:199.0168:155.027;141.0114:155.0272:199.0165|199.0168:141.0113:155.0271|141.0114:199.0169:155.0269|141.0113|141.0114:121.0298|141.0113:121.0291:105.0346|141.0113:121.0294:105.0344|199.0168:141.0113:155.0268|141.0114:199.0167:155.0269|141.0113:155.0274|141.0113:121.0297|141.0113:121.0291:105.0344|141.0112|141.0114:155.0272:199.0166;199.0165:170.9853:169.9777,CASMI_2016;Eawag;MetaboLights
100.002.155,202-370-0,94-86-0,2-ethoxy-5-prop-1-enylphenol,2-ethoxy-5-prop-1-en-1-ylphenol,CCOc1ccc(cc1O)C=CC,CCOc1ccc(cc1O)C=CC,"InChI=1/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3",C11H14O2,,,,,,RADIRXJQODWKGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.157,202-372-1,94-88-2,2-methylpiperidine-1-propanol,3-(2-methylpiperidin-1-yl)propan-1-ol,CC1CCCCN1CCCO,CC1CCCCN1CCCO,"InChI=1/C9H19NO/c1-9-5-2-3-6-10(9)7-4-8-11/h9,11H,2-8H2,1H3",C9H19NO,,,,,,JNSUUJLFWBSBME-UHFFFAOYSA-N,,,,,,,,,,,
100.002.162,202-377-9,94-96-2,"2-ethylhexane-1,3-diol","2-ethylhexane-1,3-diol",CCCC(O)C(CC)CO,CCCC(O)C(CC)CO,"InChI=1/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3",C8H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13598,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.162,RWLALWYNXFYRGW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.165,202-381-0,94-99-5,"a,2,4-trichlorotoluene","2,4-dichloro-1-(chloromethyl)benzene",ClCc1ccc(Cl)cc1Cl,ClCc1ccc(Cl)cc1Cl,"InChI=1/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2",C7H5Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17874,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.165,IRSVDHPYXFLLDS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.169,202-385-2,95-03-4,5-chloro-o-anisidine,5-chloro-2-methoxyaniline,COc1ccc(Cl)cc1N,COc1ccc(Cl)cc1N,"InChI=1/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3",C7H8ClNO,,,,,,WBSMIPLNPSCJFS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.170,202-386-8,95-04-5,Ectylurea,N-carbamoyl-2-ethylbut-2-enamide,CC=C(CC)C(=O)NC(N)=O,CC=C(CC)C(=O)NC(N)=O,"InChI=1/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)",C7H12N2O2,,,,,,QCUPYFTWJOZAOB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.171,202-387-3,95-05-6,Sulfiram,"N,N,N',N'-tetraethyldicarbonotrithioic diamide",CCN(CC)C(=S)SC(=S)N(CC)CC,CCN(CC)C(=S)SC(=S)N(CC)CC,"InChI=1/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3",C10H20N2S3,,,,,,CTPKSRZFJSJGML-UHFFFAOYSA-N,,,,,,,,,,,
100.002.172,202-388-9,95-06-7,Sulfallate,2-chloroprop-2-en-1-yl diethyldithiocarbamate,CCN(CC)C(=S)SCC(=C)Cl,CCN(CC)C(=S)SCC(=C)Cl,"InChI=1/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3",C8H14ClNS2,,,,,,XJCLWVXTCRQIDI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.176,202-393-6,95-13-6,Indene,1H-indene,C1C=Cc2ccccc12,C1C=Cc2ccccc12,"InChI=1/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2",C9H8,,,,,,YBYIRNPNPLQARY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.177,202-394-1,95-14-7,Benzotriazole,1H-benzotriazole,c1ccc2[nH]nnc2c1,c1ccc2[nH]nnc2c1,"InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)",C6H5N3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14234,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.177,QRUDEWIWKLJBPS-UHFFFAOYSA-N,Positive/Negative,AU405002|AU405003;SM819701;SM879903;EA016601|EA016602|EA016603|EA016604|EA016605|EA016606|EA016607|EA016608|EA016609|EA016610|EA016611|EA016612|EA016613|EA016614;TUE00161|TUE00162|TUE00163;UF417701|UF417702|UF417703|UF417704;UA000201|UA000203,[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID20|CID30;HCD35;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55;CID35|CID35,120.0545:121.0582:65.0384|120.0549:65.0384:92.0494;120.0556:65.0387:92.0495;120.0556:92.0495:65.0387;120.0556:92.0494:65.0384|120.0557|120.0556:65.0386:92.0495|120.0556:92.0495:65.0385|120.0556:92.0494:65.0385|120.0556:65.0385:92.0494|120.0556:65.0386:92.0495|120.0556:92.0498|120.0556:65.0384:92.0497|120.0556:65.0385:92.0494|120.0555:92.0494:65.0385|120.0555:65.0385:92.0494|120.0555:65.0386:92.0495|120.0556:92.0494;120.0548:65.0379:92.0486|65.038:120.0546:92.0485|65.0379:39.0217:51.0218;120.0559:92.0498|120.056:92.0497|120.0559:92.0496:65.0386|92.0497:65.0386;92.0493:120.0554|92.0494:65.0384:120.0551,Athens_Univ;CASMI_2016;CASMI_2016;Eawag;Env_Anal_Chem_U_Tuebingen;UFZ;UFZ_Additional_Specs,EA016651|EA016652|EA016653|EA016654|EA016655|EA016656|EA016657|EA016658|EA016659|EA016660|EA016661|EA016662|EA016663|EA016664;TUE00165|TUE00166|TUE00167;UA000202,[M-H]-;[M-H]-;[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;CID35,118.0412:90.0348|118.0412|118.0412:90.0348|118.0413:90.0349|118.0413:90.0349|118.0411:90.0349|118.0412:90.0349|118.0411|118.0412|118.0412:90.035|118.0411:90.0349|118.041:90.0348|118.041:90.0348|118.0411;118.0411:90.0347:50.0032|118.041:90.0347:50.0031|50.0032:40.0186:64.019;118.0412,Eawag;Env_Anal_Chem_U_Tuebingen;UFZ_Additional_Specs
100.002.180,202-397-8,95-19-2,2-(2-heptadecyl-2-imidazolin-1-yl)ethanol,"2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCCCCCCCCCCCC1=NCCN1CCO,CCCCCCCCCCCCCCCCCC1=NCCN1CCO,"InChI=1/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h25H,2-21H2,1H3",C22H44N2O,,,,,,QJEBJKXTNSYBGE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.200,202-419-6,95-44-3,L-(+)-threose,"2,3,4-trihydroxybutanal",OC[C@@H](O)[C@H](O)C=O,OC[C@@H](O)[C@H](O)C=O,"InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2",C4H8O4,,,,,,YTBSYETUWUMLBZ-QWWZWVQMSA-N,,,,,,,,,,,
100.002.201,202-420-1,95-45-4,Butanedione dioxime,"butane-2,3-dione dioxime",CC(=NO)C(C)=NO,CC(=NO)C(C)=NO,"InChI=1/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3",C4H8N2O2,,,,,,JGUQDUKBUKFFRO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.202,202-421-7,95-46-5,2-bromotoluene,1-bromo-2-methylbenzene,Cc1ccccc1Br,Cc1ccccc1Br,"InChI=1/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",C7H7Br,,,,,,QSSXJPIWXQTSIX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.203,202-422-2,95-47-6,o-xylene,o-xylene,Cc1ccccc1C,Cc1ccccc1C,"InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",C8H10,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15482,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.203,CTQNGGLPUBDAKN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.206,202-425-9,95-50-1,"1,2-dichlorobenzene","1,2-dichlorobenzene",Clc1ccccc1Cl,Clc1ccccc1Cl,InChI=1/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4Cl2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13734,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.206,RFFLAFLAYFXFSW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.214,202-434-8,95-58-9,2-chloro-3-methylpyrazine,2-chloro-3-methylpyrazine,Cc1nccnc1Cl,Cc1nccnc1Cl,"InChI=1/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3",C5H5ClN2,,,,,,WZHWPZQQPWKEAV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.225,202-446-3,95-74-9,3-chloro-p-toluidine,3-chloro-4-methylaniline,Cc1ccc(N)cc1Cl,Cc1ccc(N)cc1Cl,"InChI=1/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3",C7H8ClN,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1341,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.225,RQKFYFNZSHWXAW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.234,202-456-8,95-83-0,4-chloro-o-phenylenediamine,"4-chlorobenzene-1,2-diamine",Nc1ccc(Cl)cc1N,Nc1ccc(Cl)cc1N,"InChI=1/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2",C6H7ClN2,,,,,,BXIXXXYDDJVHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.239,202-462-0,95-88-5,4-chlororesorcinol,"4-chlorobenzene-1,3-diol",Oc1ccc(Cl)c(O)c1,Oc1ccc(Cl)c(O)c1,"InChI=1/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H",C6H5ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16968,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.239,JQVAPEJNIZULEK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.243,202-466-2,95-94-3,"1,2,4,5-tetrachlorobenzene","1,2,4,5-tetrachlorobenzene",Clc1cc(Cl)c(Cl)cc1Cl,Clc1cc(Cl)c(Cl)cc1Cl,InChI=1/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,C6H2Cl4,,,,,,JHBKHLUZVFWLAG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.246,202-469-9,95-99-8,"N,N'-(1,2-dithioxo-1,2-ethanediyl)bisglycine","2,2'-[(1,2-dithioxoethane-1,2-diyl)diimino]diacetic acid (non-preferred name)",OC(=O)CNC(=S)C(=S)NCC(=O)O,OC(=O)CNC(=S)C(=S)NCC(=O)O,"InChI=1/C6H8N2O4S2/c9-3(10)1-7-5(13)6(14)8-2-4(11)12/h1-2H2,(H,7,13)(H,8,14)(H,9,10)(H,11,12)",C6H8N2O4S2,,,,,,LJIPVCWBVLYNOV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.247,202-470-4,96-02-6,Chloromaleic anhydride,4-chloro-4-oxobut-2-enoic anhydride,O=C(OC(=O)\\C=C/C(Cl)=O)/C=C\\C(Cl)=O,O=C(OC(=O)\C=C/C(Cl)=O)/C=C\C(Cl)=O,InChI=1/C8H4Cl2O5/c9-5(11)1-3-7(13)15-8(14)4-2-6(10)12/h1-4H,C4HClO3,,,,,,COQNMHCJKIMQED-CCAGOZQPSA-N,,,,,,,,,,,
100.002.249,202-473-0,96-05-9,Allyl methacrylate,allyl methacrylate,CC(=C)C(=O)OCC=C,CC(=C)C(=O)OCC=C,"InChI=1/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3",C7H10O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14401,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.249,FBCQUCJYYPMKRO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.356,202-590-7,97-54-1,Isoeugenol,2-methoxy-4-prop-1-en-1-ylphenol,Oc1ccc(cc1OC)C=CC,Oc1ccc(cc1OC)C=CC,"InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3",C10H12O2,,,,,,BJIOGJUNALELMI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.366,202-602-0,97-69-8,2-acetamidopropionic acid,N-acetylalanine,CC(NC(=O)C)C(=O)O,CC(NC(=O)C)C(=O)O,"InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)",C5H9NO3,,,,,,KTHDTJVBEPMMGL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.368,202-604-1,97-73-4,Lactic anhydride,2-hydroxypropanoic anhydride,CC(O)C(=O)OC(=O)C(C)O,CC(O)C(=O)OC(=O)C(C)O,"InChI=1/C6H10O5/c1-3(7)5(9)11-6(10)4(2)8/h3-4,7-8H,1-2H3",C6H10O5,,,,,,AURKDQJEOYBJSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.370,202-606-2,97-75-6,Hyoscine N-oxide,"9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate",CN1(=O)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,CN1(=O)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,"InChI=1/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3",C17H21NO5,,,,,,GSYQNAMOFFWAPF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.372,202-608-3,97-78-9,N-lauroylsarcosine,N-dodecanoyl-N-methylglycine,CCCCCCCCCCCC(=O)N(C)CC(=O)O,CCCCCCCCCCCC(=O)N(C)CC(=O)O,"InChI=1/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)",C15H29NO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5710,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.372,BACYUWVYYTXETD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.380,202-617-2,97-90-5,Ethylene dimethacrylate,"ethane-1,2-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCOC(=O)C(=C)C,CC(=C)C(=O)OCCOC(=O)C(=C)C,"InChI=1/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3",C10H14O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14351,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.380,STVZJERGLQHEKB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.382,202-619-3,97-93-8,Triethylaluminium,triethylaluminum,CC[Al](CC)CC,CC[Al](CC)CC,"InChI=1/3C2H5.Al/c3*1-2;/h3*1H2,2H3;/rC6H15Al/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15Al,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14291,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.382,VOITXYVAKOUIBA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.386,202-624-0,97-97-2,"2-chloro-1,1-dimethoxyethane","2-chloro-1,1-dimethoxyethane",COC(CCl)OC,COC(CCl)OC,"InChI=1/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3",C4H9ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17184,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.386,CRZJPEIBPQWDGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.392,202-630-3,98-04-4,"N,N,N-trimethylanilinium iodide","N,N,N-trimethylanilinium iodide",[I-].C[N+](C)(C)c1ccccc1,[I-].C[N+](C)(C)c1ccccc1,"InChI=1/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1",C9H14N.I,,,,,,KKLAORVGAKUOPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.002.399,202-638-7,98-11-3,Benzenesulphonic acid,benzenesulfonic acid,OS(=O)(=O)c1ccccc1,OS(=O)(=O)c1ccccc1,"InChI=1/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)",C6H6O3S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13314,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.399,SRSXLGNVWSONIS-UHFFFAOYSA-N,Negative,,,,,,SM869553,[M-H]-,HCD35,156.9965,CASMI_2016
100.002.408,202-648-1,98-23-7,"1-tert-butyl-3,4,5-trimethylbenzene","5-tert-butyl-1,2,3-trimethylbenzene",Cc1cc(cc(C)c1C)C(C)(C)C,Cc1cc(cc(C)c1C)C(C)(C)C,"InChI=1/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3",C13H20,,,,,,ZQVJKYPEIPJEIP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.409,202-649-7,98-25-9,"2,6-diaminotoluene-4-sulphonic acid","3,5-diamino-4-methylbenzenesulfonic acid",Cc1c(N)cc(cc1N)S(=O)(=O)O,Cc1c(N)cc(cc1N)S(=O)(=O)O,"InChI=1/C7H10N2O3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)",C7H10N2O3S,,,,,,IPQWXJDRMKGSFI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.254,202-478-8,96-11-7,"1,2,3-tribromopropane","1,2,3-tribromopropane",BrCC(Br)CBr,BrCC(Br)CBr,"InChI=1/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2",C3H5Br3,,,,,,FHCLGDLYRUPKAM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.259,202-484-0,96-16-2,3-amino-2-methylpropiononitrile,3-amino-2-methylpropanenitrile,CC(CN)C#N,CC(CN)C#N,"InChI=1/C4H8N2/c1-4(2-5)3-6/h4H,2,5H2,1H3",C4H8N2,,,,,,GDIMNXJSMJSDSB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.260,202-485-6,96-17-3,2-methylbutyraldehyde,2-methylbutanal,CCC(C)C=O,CCC(C)C=O,"InChI=1/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3",C5H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11627,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.260,BYGQBDHUGHBGMD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.261,202-486-1,96-18-4,"1,2,3-trichloropropane","1,2,3-trichloropropane",ClCC(Cl)CCl,ClCC(Cl)CCl,"InChI=1/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2",C3H5Cl3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14307,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.261,CFXQEHVMCRXUSD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.269,202-495-0,96-27-5,"3-mercaptopropane-1,2-diol","3-sulfanylpropane-1,2-diol",OCC(O)CS,OCC(O)CS,"InChI=1/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2",C3H8O2S,,,,,,PJUIMOJAAPLTRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.271,202-497-1,96-30-0,2-chloro-N-methylacetamide,2-chloro-N-methylacetamide,CNC(=O)CCl,CNC(=O)CCl,"InChI=1/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)",C3H6ClNO,,,,,,HOZLOOPIXHWKCI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.272,202-498-7,96-31-1,"1,3-dimethylurea","1,3-dimethylurea",CNC(=O)NC,CNC(=O)NC,"InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)",C3H8N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10061,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.272,MGJKQDOBUOMPEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.274,202-500-6,96-33-3,Methyl acrylate,methyl acrylate,COC(=O)C=C,COC(=O)C=C,"InChI=1/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3",C4H6O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15313,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.274,BAPJBEWLBFYGME-UHFFFAOYSA-N,,,,,,,,,,,
100.002.279,202-505-3,96-43-5,2-chlorothiophene,2-chlorothiophene,Clc1cccs1,Clc1cccs1,InChI=1/C4H3ClS/c5-4-2-1-3-6-4/h1-3H,C4H3ClS,,,,,,GSFNQBFZFXUTBN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.287,202-514-2,96-55-9,(1-carboxylatoundecyl)trimethylammonium,2-(trimethylammonio)dodecanoate,CCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C,CCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C,"InChI=1/C15H31NO2/c1-5-6-7-8-9-10-11-12-13-14(15(17)18)16(2,3)4/h14H,5-13H2,1-4H3",C15H31NO2,,,,,,ZVZRHYNDLMSKIV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.292,202-520-5,96-61-7,N-butyl-4-chloro-3-nitrobenzenesulphonamide,N-butyl-4-chloro-3-nitrobenzenesulfonamide,CCCCNS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],CCCCNS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C10H13ClN2O4S/c1-2-3-6-12-18(16,17)8-4-5-9(11)10(7-8)13(14)15/h4-5,7,12H,2-3,6H2,1H3",C10H13ClN2O4S,,,,,,LODDEMCQPHNFSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.299,202-527-3,96-72-0,2-chloro-5-nitrobenzenesulphonamide,2-chloro-5-nitrobenzenesulfonamide,NS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-],NS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C6H5ClN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13)",C6H5ClN2O4S,,,,,,ZAJALNCZCSSGJC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.301,202-529-4,96-74-2,2-mesyl-4-nitroaniline,2-(methylsulfonyl)-4-nitroaniline,CS(=O)(=O)c1cc(ccc1N)[N+](=O)[O-],CS(=O)(=O)c1cc(ccc1N)[N+](=O)[O-],"InChI=1/C7H8N2O4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3",C7H8N2O4S,,,,,,KIMXIMWZIRTKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.306,202-535-7,96-79-7,"2-chloro-N,N-diisopropylethylamine",N-(2-chloroethyl)-N-isopropylpropan-2-amine,CC(C)N(CCCl)C(C)C,CC(C)N(CCCl)C(C)C,"InChI=1/C8H18ClN/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6H2,1-4H3",C8H18ClN,,,,,,DBVADBHSJCWFKI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.312,202-542-5,96-87-7,"2,4,6-tribromophenyl salicylate","2,4,6-tribromophenyl salicylate",Oc1ccccc1C(=O)Oc2c(Br)cc(Br)cc2Br,Oc1ccccc1C(=O)Oc2c(Br)cc(Br)cc2Br,"InChI=1/C13H7Br3O3/c14-7-5-9(15)12(10(16)6-7)19-13(18)8-3-1-2-4-11(8)17/h1-6,17H",C13H7Br3O3,,,,,,VZWVHUUGXIFDKA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.313,202-543-0,96-88-8,"N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide","N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide",CN1CCCCC1C(=O)Nc2c(C)cccc2C,CN1CCCCC1C(=O)Nc2c(C)cccc2C,"InChI=1/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)",C15H22N2O,,,,,,INWLQCZOYSRPNW-UHFFFAOYSA-N,Positive,EQ312601|EQ312602|EQ312603|EQ312604|EQ312605|EQ312606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,98.0965:247.1809|98.0965:247.1812:70.0652|98.0966:70.0651|98.0965:70.0652|98.0965:70.0652:68.0494|98.0965:70.0652:68.0496,Eawag,,,,,
100.002.315,202-545-1,96-92-4,6-chloro-5-nitrotoluene-3-sulphonic acid,4-chloro-3-methyl-5-nitrobenzenesulfonic acid,Cc1cc(cc(c1Cl)[N+](=O)[O-])S(=O)(=O)O,Cc1cc(cc(c1Cl)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H6ClNO5S/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11/h2-3H,1H3,(H,12,13,14)",C7H6ClNO5S,,,,,,OJTXHPQIEJMIJY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.339,202-571-3,97-30-3,Methyl a-D-glucoside,methyl alpha-D-glucopyranoside,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",C7H14O6,,,,,,HOVAGTYPODGVJG-ZFYZTMLRSA-N,,,,,,,,,,,
100.002.346,202-579-7,97-41-6,"Ethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate","ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CCOC(=O)C1C(C=C(C)C)C1(C)C,CCOC(=O)C1C(C=C(C)C)C1(C)C,"InChI=1/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3",C12H20O2,,,,,,VIMXTGUGWLAOFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.351,202-584-4,97-48-3,"2,4-diethoxyaniline","2,4-diethoxyaniline",CCOc1ccc(N)c(OCC)c1,CCOc1ccc(N)c(OCC)c1,"InChI=1/C10H15NO2/c1-3-12-8-5-6-9(11)10(7-8)13-4-2/h5-7H,3-4,11H2,1-2H3",C10H15NO2,,,,,,RNGRRIYLRPECGA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.354,202-588-6,97-52-9,4-nitro-o-anisidine,2-methoxy-4-nitroaniline,COc1cc(ccc1N)[N+](=O)[O-],COc1cc(ccc1N)[N+](=O)[O-],"InChI=1/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3",C7H8N2O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7844,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.354,GVBHRNIWBGTNQA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.846,200-929-3,76-05-1,Trifluoroacetic acid,trifluoroacetic acid,OC(=O)C(F)(F)F,OC(=O)C(F)(F)F,"InChI=1/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)",C2HF3O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5203,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.846,DTQVDTLACAAQTR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.851,200-935-6,76-12-0,"Tetrachloro-1,2-difluoroethane","1,1,2,2-tetrachloro-1,2-difluoroethane",FC(Cl)(Cl)C(F)(Cl)Cl,FC(Cl)(Cl)C(F)(Cl)Cl,"InChI=1/C2Cl4F2/c3-1(4,7)2(5,6)8",C2Cl4F2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12435,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.851,UGCSPKPEHQEOSR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.856,200-940-3,76-18-6,"2-chloro-1,1,1,2,3,3,3-heptafluoropropane","2-chloro-1,1,1,2,3,3,3-heptafluoropropane",FC(F)(F)C(F)(Cl)C(F)(F)F,FC(F)(F)C(F)(Cl)C(F)(F)F,"InChI=1/C3ClF7/c4-1(5,2(6,7)8)3(9,10)11",C3ClF7,,,,,,KJGXPVLCSICDQG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.857,200-941-9,76-19-7,Octafluoropropane,octafluoropropane,FC(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C3F8/c4-1(5,2(6,7)8)3(9,10)11",C3F8,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18075,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.857,QYSGYZVSCZSLHT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.862,200-947-1,76-24-4,"5,5'-dihydroxy-5,5'-bipyrimidinehexaone","5,5'-dihydroxy-5,5'-bipyrimidine-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone",OC1(C(=O)NC(=O)NC1=O)C2(O)C(=O)NC(=O)NC2=O,OC1(C(=O)NC(=O)NC1=O)C2(O)C(=O)NC(=O)NC2=O,"InChI=1/C8H6N4O8/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18)",C8H6N4O8,,,,,,IWDDXZKCDHOOSF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.863,200-948-7,76-25-5,"9-a-fluoro-11-ß,21-dihydroxy-16-a,17-a-isopropylidenedioxypregna-1,4-diene-3,20-dione","4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3",C24H31FO6,,,,,,YNDXUCZADRHECN-JNQJZLCISA-N,,,,,,,,,,,
100.000.867,200-952-9,76-32-4,Camphoric anhydride,"3,3'-(oxydicarbonyl)bis(2,2,3-trimethylcyclopentanecarboxylic acid)",CC1(C)C(CCC1(C)C(=O)OC(=O)C2(C)CCC(C(=O)O)C2(C)C)C(=O)O,CC1(C)C(CCC1(C)C(=O)OC(=O)C2(C)CCC(C(=O)O)C2(C)C)C(=O)O,"InChI=1/C20H30O7/c1-17(2)11(13(21)22)7-9-19(17,5)15(25)27-16(26)20(6)10-8-12(14(23)24)18(20,3)4/h11-12H,7-10H2,1-6H3,(H,21,22)(H,23,24)",C10H14O3,,,,,,SQPKRNMETCYMNE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.869,200-955-5,76-37-9,"2,2,3,3-tetrafluoropropan-1-ol","2,2,3,3-tetrafluoropropan-1-ol",OCC(F)(F)C(F)F,OCC(F)(F)C(F)F,"InChI=1/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2",C3H4F4O,,,,,,NBUKAOOFKZFCGD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.870,200-956-0,76-38-0,Methoxyflurane,"2,2-dichloro-1,1-difluoro-1-methoxyethane",COC(F)(F)C(Cl)Cl,COC(F)(F)C(Cl)Cl,"InChI=1/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3",C3H4Cl2F2O,,,,,,RFKMCNOHBTXSMU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.875,200-961-8,76-43-7,Fluoxymesterone,"9-fluoro-11,17-dihydroxy-17-methylandrost-4-en-3-one",C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3",C20H29FO3,,,,,,YLRFCQOZQXIBAB-RBZZARIASA-N,,,,,,,,,,,
100.000.879,200-966-5,76-50-6,Endo-bornyl isovalerate,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate",CC(C)CC(=O)OC1CC2CCC1(C)C2(C)C,CC(C)CC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3",C15H26O2,,,,,,MPYYVGIJHREDBO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.883,200-970-7,76-58-4,3-O-ethylmorphine,"3-ethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol",CCOc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C,CCOc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C,"InChI=1/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3",C19H23NO3,,,,,,OGDVEMNWJVYAJL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.893,200-981-7,76-72-2,Diethyl ethyl(1-methylbutyl)malonate,diethyl ethyl(1-methylbutyl)malonate,CCCC(C)C(CC)(C(=O)OCC)C(=O)OCC,CCCC(C)C(CC)(C(=O)OCC)C(=O)OCC,"InChI=1/C14H26O4/c1-6-10-11(5)14(7-2,12(15)17-8-3)13(16)18-9-4/h11H,6-10H2,1-5H3",C14H26O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2222,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.893,ZQGOJSLHZOKIBV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.894,200-982-2,76-73-3,Secobarbital,"5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",C12H18N2O3,,,,,,KQPKPCNLIDLUMF-UHFFFAOYSA-N,Negative,,,,,,SM834653,[M-H]-,HCD35,237.1245:194.1189,CASMI_2016
100.000.895,200-983-8,76-74-4,Pentobarbital,"5-ethyl-2-hydroxy-5-(1-methylbutyl)pyrimidine-4,6(1H,5H)-dione",CCCC(C)C1(CC)C(=O)NC(=NC1=O)O,CCCC(C)C1(CC)C(=O)NC(=NC1=O)O,"InChI=1/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",C11H18N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11117,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.895,WEXRUCMBJFQVBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.896,200-984-3,76-75-5,5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid,"5-ethyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,"InChI=1/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",C11H18N2O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11004,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.896,IUJDSEJGGMCXSG-UHFFFAOYSA-N,Negative,,,,,,EA274251|EA274252|EA274253|EA274254|EA274255|EA274256|EA274257|EA274258|EA274259|EA274260|EA274261|EA274262|EA274263|EA274264,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,100.9816:138.1289|241.1017:57.9757|241.1015:57.9758|57.9758:241.1011|57.9757|57.9758|57.9758|241.1017:57.9757|241.1014:57.9758|57.9758:241.1013|57.9758|57.9757|57.9757|100.9815:138.129,Eawag
100.000.902,200-991-1,76-89-1,Methyl benzilate,methyl hydroxy(diphenyl)acetate,COC(=O)C(O)(c1ccccc1)c2ccccc2,COC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3",C15H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18077,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.902,LJFIHTFNTGQZJL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.904,200-993-2,76-93-7,Benzilic acid,hydroxy(diphenyl)acetic acid,OC(=O)C(O)(c1ccccc1)c2ccccc2,OC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)",C14H12O3,,,,,,UKXSKSHDVLQNKG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.906,200-995-3,76-96-0,"1,1',1''-phosphorothioyltris(2-methylaziridine)","1,1',1''-phosphorothioyltris(2-methylaziridine)",CC1CN1P(=S)(N2CC2C)N3CC3C,CC1CN1P(=S)(N2CC2C)N3CC3C,"InChI=1/C9H18N3PS/c1-7-4-10(7)13(14,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3",C9H18N3PS,,,,,,MLFGIRNMAOXTHS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.907,200-996-9,76-99-3,Methadone,"6-(dimethylamino)-4,4-diphenylheptan-3-one",CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,"InChI=1/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3",C21H27NO,,,,,,USSIQXCVUWKGNF-UHFFFAOYSA-N,Positive,AU162801|AU162802|AU162803|AU162804|AU162805;EA282801|EA282802|EA282803|EA282804|EA282805|EA282806|EA282807|EA282808|EA282809|EA282810|EA282811|EA282812|EA282813|EA282814,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,310.2172:265.1592|265.1581:223.1107:310.2157|265.158:219.116:223.111|219.1161:117.0696:167.0848|204.0924:167.0844:194.0717;265.1588|310.217:265.1585:105.0331|265.1588:310.2163:105.0334|105.0336:265.1589:223.112|105.0335:91.0542:117.0698|105.0335:91.0542:117.0699|105.0335:91.0542:77.0386|310.2167:265.1587:105.0332|265.1589:310.2171:105.0334|105.0335:265.1589:223.1117|105.0336:91.0543:117.07|105.0335:91.0542:117.0699|105.0335:77.0386:91.0542|265.1588:247.1481,Athens_Univ;Eawag,,,,,
100.000.908,200-997-4,77-02-1,Aprobarbital,"5-allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",C10H14N2O3,,,,,,UORJNBVJVRLXMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.912,201-002-6,77-07-6,Levorphanol,17-methylmorphinan-3-ol,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccc(O)cc34,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccc(O)cc34,"InChI=1/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3",C17H23NO,,,,,,JAQUASYNZVUNQP-USXIJHARSA-N,,,,,,,,,,,
100.000.913,201-003-1,77-08-7,"2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-1,1'-spirobi[1H-indene]-5,5',6,6'-tetrol","3,3,3',3'-tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-5,5',6,6'-tetrol",CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc23)c4cc(O)c(O)cc14,CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc23)c4cc(O)c(O)cc14,"InChI=1/C21H24O4/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,22-25H,9-10H2,1-4H3",C21H24O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17223,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.913,POFMQEVZKZVAPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.916,201-006-8,77-14-5,Proheptazine,"1,3-dimethyl-4-phenylazepan-4-yl propionate",CCC(=O)OC1(CCCN(C)CC1C)c2ccccc2,CCC(=O)OC1(CCCN(C)CC1C)c2ccccc2,"InChI=1/C17H25NO2/c1-4-16(19)20-17(15-9-6-5-7-10-15)11-8-12-18(3)13-14(17)2/h5-7,9-10,14H,4,8,11-13H2,1-3H3",C17H25NO2,,,,,,ZXWAUWBYASJEOE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.918,201-008-9,77-17-8,Ethyl 4-phenylpiperidine-4-carboxylate,ethyl 4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCNCC1)c2ccccc2,CCOC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3",C14H19NO2,,,,,,QKHMFBKXTNQCTM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.923,201-014-1,77-23-6,Pentoxyverine,2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate,CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2,CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2,"InChI=1/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3",C20H31NO3,,,,,,CFJMRBQWBDQYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.927,201-018-3,77-27-0,5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid,"5-allyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,"InChI=1/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",C12H18N2O2S,,,,,,XLOMZPUITCYLMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.929,201-020-4,77-32-7,"5,5-diethyl-2-thiobarbituric acid","5,5-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCC1(CC)C(=O)NC(=S)NC1=O,CCC1(CC)C(=O)NC(=S)NC1=O,"InChI=1/C8H12N2O2S/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)",C8H12N2O2S,,,,,,QGVNJRROSLYGKF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.930,201-022-5,77-36-1,Chlortalidone,"2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzenesulfonamide",NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23,NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23,"InChI=1/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)",C14H11ClN2O4S,,,,,,JIVPVXMEBJLZRO-UHFFFAOYSA-N,Positive/Negative,EQ313401|EQ313402|EQ313403|EQ313404|EQ313405|EQ313406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,321.9936:243.0209:241.0054|321.9936:243.0209:241.0052|243.0208:241.0053:321.9936|243.0208:241.0054:185.0154|185.0154:152.0621:79.9801|150.0465:152.0621:79.9801,Eawag,EQ313451|EQ313452|EQ313453|EQ313454|EQ313455|EQ313456,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,337.0055:189.9736:146.0248|146.0248:189.9736:79.9812|146.0248:79.9812:189.9736|146.0248:79.9812:61.9706|146.0248:79.9812:61.9706|79.9812:146.0248:61.9706,Eawag
100.000.938,201-030-9,77-48-5,"1,3-dibromo-5,5-dimethylhydantoin","1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(Br)C(=O)N(Br)C1=O,CC1(C)N(Br)C(=O)N(Br)C1=O,InChI=1/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,C5H6Br2N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10089,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.938,VRLDVERQJMEPIF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.939,201-031-4,77-49-6,"2-methyl-2-nitropropane-1,3-diol","2-methyl-2-nitropropane-1,3-diol",CC(CO)(CO)[N+](=O)[O-],CC(CO)(CO)[N+](=O)[O-],"InChI=1/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3",C4H9NO4,,,,,,LOTYADDQWWVBDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.941,201-034-0,77-52-1,3ß-hydroxyurs-12-en-28-oic acid,3-hydroxyurs-12-en-28-oic acid,C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O,C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O,"InChI=1/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)",C30H48O3,,,,,,WCGUUGGRBIKTOS-GPOJBZKASA-N,,,,,,,,,,,
100.000.943,201-036-1,77-54-3,"[3R-(3a,3aß,6a,7ß,8aa)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate",cedran-8-yl acetate,CC1CCC2C(C)(C)C3CC12CCC3(C)OC(=O)C,CC1CCC2C(C)(C)C3CC12CCC3(C)OC(=O)C,"InChI=1/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3",C17H28O2,,,,,,HQKQRXZEXPXXIG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.944,201-037-7,77-55-4,1-phenylcyclopentanecarboxylic acid,1-phenylcyclopentanecarboxylic acid,OC(=O)C1(CCCC1)c2ccccc2,OC(=O)C1(CCCC1)c2ccccc2,"InChI=1/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)",C12H14O2,,,,,,RHPCYZLXNNRRMB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.948,201-041-9,77-60-1,"(5a,25R)-spirostan-3ß-ol",spirostan-3-ol,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,"InChI=1/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3",C27H44O3,,,,,,GMBQZIIUCVWOCD-MFRNJXNGSA-N,,,,,,,,,,,
100.000.953,201-047-1,77-66-7,Acecarbromal,N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide,CCC(Br)(CC)C(=O)NC(=O)NC(=O)C,CCC(Br)(CC)C(=O)NC(=O)NC(=O)C,"InChI=1/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)",C9H15BrN2O3,,,,,,SAZUGELZHZOXHB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.954,201-048-7,77-67-8,Ethosuximide,"3-ethyl-3-methylpyrrolidine-2,5-dione",CCC1(C)CC(=O)NC1=O,CCC1(C)CC(=O)NC1=O,"InChI=1/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)",C7H11NO2,,,,,,HAPOVYFOVVWLRS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.963,201-058-1,77-78-1,Dimethyl sulphate,dimethyl sulfate,COS(=O)(=O)OC,COS(=O)(=O)OC,"InChI=1/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3",C2H6O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14273,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.963,VAYGXNSJCAHWJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.969,201-064-4,77-86-1,Trometamol,"2-amino-2-(hydroxymethyl)propane-1,3-diol",NC(CO)(CO)CO,NC(CO)(CO)CO,"InChI=1/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2",C4H11NO3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14861,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.969,LENZDBCJOHFCAS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.970,201-066-5,77-89-4,Triethyl O-acetylcitrate,"triethyl 2-acetoxypropane-1,2,3-tricarboxylate",CCOC(=O)CC(CC(=O)OCC)(OC(=O)C)C(=O)OCC,CCOC(=O)CC(CC(=O)OCC)(OC(=O)C)C(=O)OCC,"InChI=1/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3",C14H22O8,,,,,,WEAPVABOECTMGR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.972,201-068-6,77-91-8,Choline dihydrogen citrate,"dihydrogen 2-hydroxy-N,N,N-trimethylethanaminium citrate",C[N+](C)(C)CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],C[N+](C)(C)CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;+1/p-3",C6H7O7.C5H14NO,,,,,,WRPUOFKIGGWQIJ-UHFFFAOYSA-K,,,,,,,,,,,
100.000.975,201-071-2,77-94-1,Tributyl citrate,tributyl citrate,CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC,CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC,"InChI=1/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3",C18H32O7,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5956,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.975,ZFOZVQLOBQUTQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.982,201-079-6,78-06-8,"2,2-dibutyldihydro-6H-1,3,2-oxathiastannin-6-one","2,2-dibutyl-1,3,2-oxathiastanninan-6-one",CCCC[Sn]1(CCCC)OC(=O)CCS1,CCCC[Sn]1(CCCC)OC(=O)CCS1,"InChI=1/2C4H9.C3H6O2S.Sn/c2*1-3-4-2;4-3(5)1-2-6;/h2*1,3-4H2,2H3;6H,1-2H2,(H,4,5);/q;;;+2/p-2/rC11H22O2SSn/c1-3-5-9-15(10-6-4-2)13-11(12)7-8-14-15/h3-10H2,1-2H3",C11H22O2SSn,,,,,,IRIAEMUUDSWZOX-UHFFFAOYSA-L,,,,,,,,,,,
100.000.985,201-082-2,78-09-1,Tetraethyl orthocarbonate,"1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetraethane",CCOC(OCC)(OCC)OCC,CCOC(OCC)(OCC)OCC,"InChI=1/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3",C9H20O4,,,,,,CWLNAJYDRSIKJS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.988,201-085-9,78-13-7,Tetrakis(2-ethylbutyl) orthosilicate,tetrakis(2-ethylbutyl) orthosilicate,CCC(CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC,CCC(CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC,"InChI=1/C24H52O4Si/c1-9-21(10-2)17-25-29(26-18-22(11-3)12-4,27-19-23(13-5)14-6)28-20-24(15-7)16-8/h21-24H,9-20H2,1-8H3",C24H52O4Si,,,,,,SWQWONXMUXCEDF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.991,201-089-0,78-16-0,"2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate","2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name)",CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC,CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC,"InChI=1/C27H50O6/c1-5-9-12-15-18-24(28)31-21-27(8-4,22-32-25(29)19-16-13-10-6-2)23-33-26(30)20-17-14-11-7-3/h5-23H2,1-4H3",C27H50O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11070,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.991,UQJDVLPHTXQTRP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.998,201-096-9,78-23-9,"3-hydroxy-2,2-bis(hydroxymethyl)propyl stearate","3-hydroxy-2,2-bis(hydroxymethyl)propyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C23H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h24-26H,2-21H2,1H3",C23H46O5,,,,,,TXQVDVNAKHFQPP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.002,201-101-4,78-28-4,Emylcamate,1-ethyl-1-methylpropyl carbamate,CCC(C)(CC)OC(=O)N,CCC(C)(CC)OC(=O)N,"InChI=1/C7H15NO2/c1-4-7(3,5-2)10-6(8)9/h4-5H2,1-3H3,(H2,8,9)",C7H15NO2,,,,,,SLWGJZPKHAXZQL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.004,201-104-0,78-31-9,Diphenyl p-tolyl phosphate,4-methylphenyl diphenyl phosphate,Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3,Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3,"InChI=1/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3",C19H17O4P,,,,,,OJUZRFGUKHQNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.013,201-114-5,78-40-0,Triethyl phosphate,triethyl phosphate,CCOP(=O)(OCC)OCC,CCOP(=O)(OCC)OCC,"InChI=1/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",C6H15O4P,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14738,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.013,DQWPFSLDHJDLRL-UHFFFAOYSA-N,Positive,AU226501|AU226502|AU226503;SM883101;EQ315401|EQ315402|EQ315403|EQ315404|EQ315405|EQ315406,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,155.048:127.0164:183.0798|127.0162:155.048:128.0206|127.0165;98.9841:127.0155:155.0467;98.9842:127.0155:155.0468|98.9842:127.0155:155.0468|98.9843:127.0155:155.0469|98.9843:127.0155:116.9947|98.9843:116.9948:127.0156|98.9843:116.9947:80.9736,Athens_Univ;CASMI_2016;Eawag,,,,,
100.001.015,201-116-6,78-42-2,Tris(2-ethylhexyl) phosphate,tris(2-ethylhexyl) phosphate,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",C24H51O4P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14220,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.015,GTVWRXDRKAHEAD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.017,201-118-7,78-44-4,Carisoprodol,2-[(carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (non-preferred name),CCCC(C)(COC(=O)N)COC(=O)NC(C)C,CCCC(C)(COC(=O)N)COC(=O)NC(C)C,"InChI=1/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)",C12H24N2O4,,,,,,OFZCIYFFPZCNJE-UHFFFAOYSA-N,Positive,EQ332701|EQ332702|EQ332703|EQ332704|EQ332705|EQ332706,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,176.1283:158.1177:97.1012|97.1013:62.0237:158.1177|62.0237:97.1013:69.0699|62.0238:97.1013:69.07|62.0237:55.0544:69.0699|62.0237:55.0544:69.0699,Eawag,,,,,
100.001.022,201-123-4,78-57-9,Menazon,"S-[(4,6-diamino-1,3,5-triazin-2-yl)methyl] O,O-dimethyl dithiophosphate",COP(=S)(OC)SCc1nc(N)nc(N)n1,COP(=S)(OC)SCc1nc(N)nc(N)n1,"InChI=1/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)",C6H12N5O2PS2,,,,,,SUYHYHLFUHHVJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.027,201-129-7,78-64-8,"O,O-dihexyl hydrogen dithiophosphate","O,O-dihexyl hydrogen dithiophosphate",CCCCCCOP(=S)(S)OCCCCCC,CCCCCCOP(=S)(S)OCCCCCC,"InChI=1/C12H27O2PS2/c1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2/h3-12H2,1-2H3,(H,16,17)",C12H27O2PS2,,,,,,VFXJDWTUUZBKKT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.033,201-136-5,78-71-7,"3,3-bis(chloromethyl)oxetane","3,3-bis(chloromethyl)oxetane",ClCC1(CCl)COC1,ClCC1(CCl)COC1,InChI=1/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2,C5H8Cl2O,,,,,,CXURGFRDGROIKG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.038,201-141-2,78-77-3,1-bromo-2-methylpropane,1-bromo-2-methylpropane,CC(C)CBr,CC(C)CBr,"InChI=1/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3",C4H9Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10737,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.038,HLVFKOKELQSXIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.045,201-149-6,78-84-2,Isobutyraldehyde,2-methylpropanal,CC(C)C=O,CC(C)C=O,"InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H3",C4H8O,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14300,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.045,AMIMRNSIRUDHCM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.046,201-150-1,78-85-3,Methacrylaldehyde,methacrylaldehyde,CC(=C)C=O,CC(=C)C=O,"InChI=1/C4H6O/c1-4(2)3-5/h3H,1H2,2H3",C4H6O,,,,,,STNJBCKSHOAVAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.047,201-151-7,78-86-4,2-chlorobutane,2-chlorobutane,CCC(C)Cl,CCC(C)Cl,"InChI=1/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3",C4H9Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5783,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.047,BSPCSKHALVHRSR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.050,201-154-3,78-89-7,2-chloropropan-1-ol,2-chloropropan-1-ol,CC(Cl)CO,CC(Cl)CO,"InChI=1/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3",C3H7ClO,,,,,,VZIQXGLTRZLBEX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.051,201-155-9,78-90-0,Propylenediamine,"propane-1,2-diamine",CC(N)CN,CC(N)CN,"InChI=1/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3",C3H10N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2163,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.051,AOHJOMMDDJHIJH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.056,201-161-1,78-95-5,Chloroacetone,1-chloroacetone,CC(=O)CCl,CC(=O)CCl,"InChI=1/C3H5ClO/c1-3(5)2-4/h2H2,1H3",C3H5ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1582,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.056,BULLHNJGPPOUOX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.062,201-167-4,79-01-6,Trichloroethylene,"1,1,2-trichloroethene",ClC=C(Cl)Cl,ClC=C(Cl)Cl,InChI=1/C2HCl3/c3-1-2(4)5/h1H,C2HCl3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14485,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.062,XSTXAVWGXDQKEL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.063,201-169-5,79-02-7,Dichloroacetaldehyde,dichloroacetaldehyde,ClC(Cl)C=O,ClC(Cl)C=O,InChI=1/C2H2Cl2O/c3-2(4)1-5/h1-2H,C2H2Cl2O,,,,,,NWQWQKUXRJYXFH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.072,201-178-4,79-11-8,Chloroacetic acid,acetyl chloride,CC(Cl)=O,CC(Cl)=O,InChI=1/C2H3ClO/c1-2(3)4/h1H3,C2H3ClO2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15187,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.072,WETWJCDKMRHUPV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.076,201-183-1,79-17-4,Aminoguanidine,hydrazinecarboximidamide,NNC(=N)N,NNC(=N)N,"InChI=1/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)",CH6N4,,,,,,HAMNKKUPIHEESI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.077,201-184-7,79-19-6,Thiosemicarbazide,hydrazinecarbothioamide,NNC(=S)N,NNC(=S)N,"InChI=1/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)",CH5N3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17647,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.077,BRWIZMBXBAOCCF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.083,201-191-5,79-27-6,"1,1,2,2-tetrabromoethane","1,1,2,2-tetrabromoethane",BrC(Br)C(Br)Br,BrC(Br)C(Br)Br,InChI=1/C2H2Br4/c3-1(4)2(5)6/h1-2H,C2H2Br4,,,,,,QXSZNDIIPUOQMB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.087,201-195-7,79-31-2,Isobutyric acid,2-methylpropanoic acid,CC(C)C(=O)O,CC(C)C(=O)O,"InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)",C4H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14591,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.087,KQNPFQTWMSNSAP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.091,201-199-9,79-36-7,Dichloroacetyl chloride,dichloroacetyl chloride,ClC(Cl)C(=O)Cl,ClC(Cl)C(=O)Cl,InChI=1/C2HCl3O/c3-1(4)2(5)6/h1H,C2HCl3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12544,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.091,FBCCMZVIWNDFMO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.092,201-200-2,79-37-8,Oxalyl dichloride,ethanedioyl dichloride,ClC(=O)C(=O)Cl,ClC(=O)C(=O)Cl,InChI=1/C2Cl2O2/c3-1(5)2(4)6,C2Cl2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8120,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.092,CTSLXHKWHWQRSH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.093,201-201-8,79-38-9,Chlorotrifluoroethylene,"1-chloro-1,2,2-trifluoroethene",FC(=C(F)Cl)F,FC(=C(F)Cl)F,InChI=1/C2ClF3/c3-1(4)2(5)6,C2ClF3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13752,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.093,UUAGAQFQZIEFAH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.096,201-204-4,79-41-4,Methacrylic acid,methacrylic acid,CC(=C)C(=O)O,CC(=C)C(=O)O,"InChI=1/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)",C4H6O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15411,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.096,CERQOIWHTDAKMF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.107,201-217-5,79-67-4,"3-amino-N,N-dimethyltoluene-4-sulphonamide","2-amino-N,N,4-trimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(C)cc1N,CN(C)S(=O)(=O)c1ccc(C)cc1N,"InChI=1/C9H14N2O2S/c1-7-4-5-9(8(10)6-7)14(12,13)11(2)3/h4-6H,10H2,1-3H3",C9H14N2O2S,,,,,,UVRANZYRVDBFIF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.109,201-219-6,79-69-6,"4-(2,5,6,6-tetramethylcyclohex-2-enyl)but-3-en-2-one","4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one",CC1C\\C=C(\\C)C(C=CC(C)=O)C1(C)C,CC1C\C=C(\C)C(C=CC(C)=O)C1(C)C,"InChI=1/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3",C14H22O,,,,,,JZQOJFLIJNRDHK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.115,201-225-9,79-78-7,"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)hepta-1,6-dien-3-one","1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one",C\\C1=C\\CCC(C)(C)C1C=CC(=O)CCC=C,C\C1=C\CCC(C)(C)C1C=CC(=O)CCC=C,"InChI=1/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3",C16H24O,,,,,,FXCYGAGBPZQRJE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.116,201-226-4,79-80-1,Dehydroretinol,"3,4-didehydroretinol",CC=1/C=C\\CC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO,CC=1/C=C\CC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO,"InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3",C20H28O,,,,,,XWCYDHJOKKGVHC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.117,201-228-5,79-81-2,Retinyl palmitate,O~15~-palmitoylretinol,CC1(C)CCCC(\\C)=C1\\C=C\\C(\\C)=C\\C=C\\C(\\C)=C\\COC(=O)CCCCCCCCCCCCCCC,CC1(C)CCCC(\C)=C1\C=C\C(\C)=C\C=C\C(\C)=C\COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3",C36H60O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13687,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.117,VYGQUTWHTHXGQB-FFHKNEKCSA-N,,,,,,,,,,,
100.001.119,201-230-6,79-88-9,4-nitro-N-phenyltoluene-2-sulphonamide,2-methyl-5-nitro-N-phenylbenzenesulfonamide,Cc1ccc(cc1S(=O)(=O)Nc2ccccc2)[N+](=O)[O-],Cc1ccc(cc1S(=O)(=O)Nc2ccccc2)[N+](=O)[O-],"InChI=1/C13H12N2O4S/c1-10-7-8-12(15(16)17)9-13(10)20(18,19)14-11-5-3-2-4-6-11/h2-9,14H,1H3",C13H12N2O4S,,,,,,YBHDHKAUAAYLDS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.123,201-234-8,79-92-5,Camphene,"2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane",CC1(C)C2CCC(C2)C1=C,CC1(C)C2CCC(C2)C1=C,"InChI=1/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14290,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.123,CRPUJAZIXJMDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.124,201-235-3,79-93-6,Phenaglycodol,"2-(4-chlorophenyl)-3-methylbutane-2,3-diol",CC(C)(O)C(C)(O)c1ccc(Cl)cc1,CC(C)(O)C(C)(O)c1ccc(Cl)cc1,"InChI=1/C11H15ClO2/c1-10(2,13)11(3,14)8-4-6-9(12)7-5-8/h4-7,13-14H,1-3H3",C11H15ClO2,,,,,,HTYIXCKSEQQCJO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.137,201-250-5,80-09-1,"4,4'-sulphonyldiphenol","4,4'-sulfonyldiphenol",Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,"InChI=1/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H",C12H10O4S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14986,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.137,VPWNQTHUCYMVMZ-UHFFFAOYSA-N,Positive/Negative,SM864401;UF424001|UF424002|UF424003|UF424004,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,251.0372:156.9954:121.0396;121.0394:156.9952:109.0283|121.0393:93.0332:109.0281|156.995:251.0368:109.0282|156.995:109.0282:121.0394,CASMI_2016;UFZ,SM864456;UF424051|UF424052|UF424053|UF424054,[M-H]-;[M-H]-,HCD35;HCD55|HCD80|CID35|CID55,249.0229:155.9887:185.0613;249.0225|249.0225:108.0221|108.0217:155.9886:185.0608|108.0217:155.9886:185.0608,CASMI_2016;UFZ
100.001.141,201-254-7,80-15-9,"a,a-dimethylbenzyl hydroperoxide",1-methyl-1-phenylethyl hydroperoxide,CC(C)(OO)c1ccccc1,CC(C)(OO)c1ccccc1,"InChI=1/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3",C9H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15026,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.141,YQHLDYVWEZKEOX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.144,201-257-3,80-19-3,3-amino-4-hydroxy-N-(1-methylethyl)benzenesulphonamide,3-amino-4-hydroxy-N-isopropylbenzenesulfonamide,CC(C)NS(=O)(=O)c1ccc(O)c(N)c1,CC(C)NS(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C9H14N2O3S/c1-6(2)11-15(13,14)7-3-4-9(12)8(10)5-7/h3-6,11-12H,10H2,1-2H3",C9H14N2O3S,,,,,,FTKHOHJWUYHTPW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.153,201-267-8,80-28-4,N-(o-tolyl)-p-toluenesulphonamide,4-methyl-N-(2-methylphenyl)benzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C,"InChI=1/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3",C14H15NO2S,,,,,,SIPGNSRRMHEOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.158,201-273-0,80-37-5,N-(m-nitrophenyl)benzenesulphonamide,N-(3-nitrophenyl)benzenesulfonamide,[O-][N+](=O)c1cccc(NS(=O)(=O)c2ccccc2)c1,[O-][N+](=O)c1cccc(NS(=O)(=O)c2ccccc2)c1,"InChI=1/C12H10N2O4S/c15-14(16)11-6-4-5-10(9-11)13-19(17,18)12-7-2-1-3-8-12/h1-9,13H",C12H10N2O4S,,,,,,CWBLFCFUSMBFSO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.160,201-275-1,80-39-7,N-ethyltoluene-4-sulphonamide,N-ethyl-4-methylbenzenesulfonamide,CCNS(=O)(=O)c1ccc(C)cc1,CCNS(=O)(=O)c1ccc(C)cc1,"InChI=1/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3",C9H13NO2S,,,,,,OHPZPBNDOVQJMH-UHFFFAOYSA-N,Positive,UF419701|UF419702|UF419703|UF419704,[M+H]+,HCD55|HCD80|CID35|CID55,119.0607:91.0545:109.0651|91.0544:119.0607:109.0651|155.0166:119.0608:91.0545|155.0166:119.0607:91.0545,UFZ,,,,,
100.001.164,201-279-3,80-43-3,"Bis(a,a-dimethylbenzyl) peroxide","1,1'-(dioxydipropane-2,2-diyl)dibenzene",CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2,CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2,"InChI=1/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3",C18H22O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14703,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.164,XMNIXWIUMCBBBL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.169,201-285-6,80-50-2,Octatropine methylbromide,"8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide",[Br-].CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C,[Br-].CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C,"InChI=1/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1",C17H32NO2.Br,,,,,,QSFKGMJOKUZAJM-CNKDKAJDSA-M,,,,,,,,,,,
100.001.170,201-286-1,80-51-3,"4,4'-oxydi(benzenesulphonohydrazide)","4,4'-oxydibenzenesulfonohydrazide",NNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)NN)cc1,NNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)NN)cc1,"InChI=1/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2",C12H14N4O5S2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14546,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.170,NBOCQTNZUPTTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.171,201-287-7,80-52-4,"p-menthane-1,8-diyldiamine",4-(1-amino-1-methylethyl)-1-methylcyclohexanamine,CC(C)(N)C1CCC(C)(N)CC1,CC(C)(N)C1CCC(C)(N)CC1,"InChI=1/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3",C10H22N2,,,,,,KOGSPLLRMRSADR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.172,201-288-2,80-53-5,"p-menthane-1,8-diol",4-(1-hydroxy-1-methylethyl)-1-methylcyclohexanol,CC(C)(O)C1CCC(C)(O)CC1,CC(C)(O)C1CCC(C)(O)CC1,"InChI=1/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3",C10H20O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6929,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.172,RBNWAMSGVWEHFP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.177,201-294-5,80-58-0,2-bromobutyric acid,2-bromobutanoic acid,CCC(Br)C(=O)O,CCC(Br)C(=O)O,"InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)",C4H7BrO2,,,,,,YAQLSKVCTLCIIE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.180,201-297-1,80-62-6,Methyl methacrylate,methyl methacrylate,COC(=O)C(=C)C,COC(=O)C(=C)C,"InChI=1/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3",C5H8O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15528,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.180,VVQNEPGJFQJSBK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.182,201-299-2,80-65-9,3-aminooxazolidin-2-one,"3-amino-1,3-oxazolidin-2-one",NN1CCOC1=O,NN1CCOC1=O,"InChI=1/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2",C3H6N2O2,,,,,,KYCJNIUHWNJNCT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.184,201-301-1,80-69-3,Tartronic acid,hydroxymalonic acid,OC(C(=O)O)C(=O)O,OC(C(=O)O)C(=O)O,"InChI=1/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)",C3H4O5,,,,,,ROBFUDYVXSDBQM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.185,201-302-7,80-70-6,"1,1,3,3-tetramethylguanidine","1,1,3,3-tetramethylguanidine",CN(C)C(=N)N(C)C,CN(C)C(=N)N(C)C,"InChI=1/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3",C5H13N3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17010,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.185,KYVBNYUBXIEUFW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.189,201-306-9,80-75-1,"11-a-hydroxypregn-4-ene-3,20-dione","11-hydroxypregn-4-ene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,"InChI=1/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3",C21H30O3,,,,,,BFZHCUBIASXHPK-QJSKAATBSA-N,,,,,,,,,,,
100.001.194,201-312-1,80-91-1,"5-ß-pregnane-3-a,20-ß-diol","pregnane-3,20-diol",CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3",C21H36O2,,,,,,YWYQTGBBEZQBGO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.200,201-318-4,81-05-0,6-aminonaphthalene-1-sulphonic acid,6-aminonaphthalene-1-sulfonic acid,Nc1ccc2c(cccc2c1)S(=O)(=O)O,Nc1ccc2c(cccc2c1)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,YUNBHHWDQDGWHC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.201,201-320-5,81-06-1,1-aminonaphthalene-2-sulphonic acid,1-aminonaphthalene-2-sulfonic acid,Nc1c(ccc2ccccc12)S(=O)(=O)O,Nc1c(ccc2ccccc12)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,ONZWNZGVZFLMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.204,201-323-1,81-09-4,N-ethyl-2-nitro-N-phenylbenzenesulphonamide,N-ethyl-2-nitro-N-phenylbenzenesulfonamide,CCN(c1ccccc1)S(=O)(=O)c2ccccc2[N+](=O)[O-],CCN(c1ccccc1)S(=O)(=O)c2ccccc2[N+](=O)[O-],"InChI=1/C14H14N2O4S/c1-2-15(12-8-4-3-5-9-12)21(19,20)14-11-7-6-10-13(14)16(17)18/h3-11H,2H2,1H3",C14H14N2O4S,,,,,,NPJNXMOLTGZEHG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.121,200-132-0,51-98-9,Norethisterone acetate,17-ethynyl-3-oxoestr-4-en-17-yl acetate,CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C,CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C,"InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3",C22H28O3,,,,,,IMONTRJLAWHYGT-ZCPXKWAGSA-N,,,,,,,,,,,
100.000.122,200-133-6,52-01-7,Spironolactone,"S-(10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate",CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13,"InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3",C24H32O4S,,,,,,LXMSZDCAJNLERA-ZHYRCANASA-N,Positive,EA290202|EA290208,[M+H]+,HCD15|HCD15,417.2098|417.2086,Eawag,,,,,
100.000.123,200-134-1,52-21-1,Prednisolone 21-acetate,"11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3",C23H30O6,,,,,,LRJOMUJRLNCICJ-JZYPGELDSA-N,,,,,,,,,,,
100.001.253,201-377-6,81-81-2,Warfarin,4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,"InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",C19H16O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17263,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.253,PJVWKTKQMONHTI-UHFFFAOYSA-N,Positive/Negative,SM834702;UF404201|UF404202|UF404203|UF404204,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,163.0391:251.0705:309.1124;251.0702:163.039:183.0804|121.0284:163.039:155.0855|163.039:251.0704:147.0805|163.0389:251.0703:147.0804,CASMI_2016;UFZ,SM834752;UF404251|UF404252|UF404253|UF404254,[M-H]-;[M-H]-,HCD35;HCD55|HCD80|CID35|CID55,307.0975:161.0244:250.0636;307.0974|307.0973:161.0243:250.0636|161.0244:250.0635:117.0346|161.0244:250.0634:117.0346,CASMI_2016;UFZ
100.001.256,201-380-2,81-84-5,"Naphthalene-1,8-dicarboxylic anhydride","1H,3H-benzo[de]isochromene-1,3-dione",O=C1OC(=O)c2cccc3cccc1c23,O=C1OC(=O)c2cccc3cccc1c23,InChI=1/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H,C12H6O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7211,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.256,GRSMWKLPSNHDHA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.258,201-382-3,81-86-7,"6-bromo-1H,3H-naphtho[1,8-cd]pyran-1,3-dione","6-bromo-1H,3H-benzo[de]isochromene-1,3-dione",Brc1ccc2C(=O)OC(=O)c3cccc1c23,Brc1ccc2C(=O)OC(=O)c3cccc1c23,InChI=1/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,C12H5BrO3,,,,,,DTUOTSLAFJCQHN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.263,201-388-6,81-94-7,1-[(7H-benz[de]anthracen-3-yl-7-oxo)amino]anthraquinone,"1-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Nc4ccc5c6ccccc6C(=O)c7cccc4c57)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccc5c6ccccc6C(=O)c7cccc4c57)cccc13,"InChI=1/C31H17NO3/c33-29-19-8-2-1-7-17(19)18-15-16-25(22-11-5-12-23(29)27(18)22)32-26-14-6-13-24-28(26)31(35)21-10-4-3-9-20(21)30(24)34/h1-16,32H",C31H17NO3,,,,,,IYIHHRQMVJYLAX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.265,201-390-7,81-96-9,3-bromobenz[de]anthracen-7-one,3-bromo-7H-benzo[de]anthracen-7-one,Brc1ccc2c3ccccc3C(=O)c4cccc1c24,Brc1ccc2c3ccccc3C(=O)c4cccc1c24,InChI=1/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H,C17H9BrO,,,,,,WVECFEIAZAKUNF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.267,201-392-8,82-02-0,Khellin,"4,9-dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one",COc1c2OC(=CC(=O)c2c(OC)c3ccoc13)C,COc1c2OC(=CC(=O)c2c(OC)c3ccoc13)C,"InChI=1/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3",C14H12O5,,,,,,HSMPDPBYAYSOBC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.270,201-395-4,82-08-6,"(E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one","1-[6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-phenylprop-2-en-1-one",CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)\\C=C\\c4ccccc4)c2O)c1O,CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)\C=C\c4ccccc4)c2O)c1O,"InChI=1/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3",C30H28O8,,,,,,DEZFNHCVIZBHBI-ZHACJKMWSA-N,,,,,,,,,,,
100.001.271,201-397-5,82-14-4,"N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)-p-toluenesulphonamide","N-(5-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)Nc2cccc3C(=O)c4c(Cl)cccc4C(=O)c23,Cc1ccc(cc1)S(=O)(=O)Nc2cccc3C(=O)c4c(Cl)cccc4C(=O)c23,"InChI=1/C21H14ClNO4S/c1-12-8-10-13(11-9-12)28(26,27)23-17-7-3-5-15-19(17)21(25)14-4-2-6-16(22)18(14)20(15)24/h2-11,23H,1H3",C21H14ClNO4S,,,,,,AEYNFHFXCAPUQI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.274,201-401-5,82-18-8,"N,N'-(9,10-dihydro-9,10-dioxoanthracene-1,5-diyl)bisbenzamide","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)dibenzamide",O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12)c5ccccc5,O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12)c5ccccc5,"InChI=1/C28H18N2O4/c31-25-20-14-8-16-22(30-28(34)18-11-5-2-6-12-18)24(20)26(32)19-13-7-15-21(23(19)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)",C28H18N2O4,,,,,,PZNXLZZWWBSQQK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.278,201-405-7,82-22-4,"1,1'-iminodianthraquinone","1,1'-iminodi(9,10-anthraquinone)",O=C1c2ccccc2C(=O)c3c(Nc4cccc5C(=O)c6ccccc6C(=O)c45)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4cccc5C(=O)c6ccccc6C(=O)c45)cccc13,"InChI=1/C28H15NO4/c30-25-15-7-1-3-9-17(15)27(32)23-19(25)11-5-13-21(23)29-22-14-6-12-20-24(22)28(33)18-10-4-2-8-16(18)26(20)31/h1-14,29H",C28H15NO4,,,,,,WITKIIIPSSFHST-UHFFFAOYSA-N,,,,,,,,,,,
100.001.279,201-406-2,82-24-6,"1-amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid","1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)O,Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)O,"InChI=1/C15H9NO4/c16-12-10(15(19)20)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2,(H,19,20)",C15H9NO4,,,,,,MMKNBFSDCOALQO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.282,201-409-9,82-31-5,8-anilino-5-(4-hydroxyanilino)naphthalenesulphonic acid,8-anilino-5-[(4-hydroxyphenyl)amino]naphthalene-1-sulfonic acid,Oc1ccc(Nc2ccc(Nc3ccccc3)c4c(cccc24)S(=O)(=O)O)cc1,Oc1ccc(Nc2ccc(Nc3ccccc3)c4c(cccc24)S(=O)(=O)O)cc1,"InChI=1/C22H18N2O4S/c25-17-11-9-16(10-12-17)23-19-13-14-20(24-15-5-2-1-3-6-15)22-18(19)7-4-8-21(22)29(26,27)28/h1-14,23-25H,(H,26,27,28)",C22H18N2O4S,,,,,,HDHZOKVESWSUET-UHFFFAOYSA-N,,,,,,,,,,,
100.001.287,201-415-1,82-36-0,"N,N'-(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bisacetamide","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,8-diyl)diacetamide",CC(=O)Nc1cccc2C(=O)c3cccc(NC(=O)C)c3C(=O)c12,CC(=O)Nc1cccc2C(=O)c3cccc(NC(=O)C)c3C(=O)c12,"InChI=1/C18H14N2O4/c1-9(21)19-13-7-3-5-11-15(13)18(24)16-12(17(11)23)6-4-8-14(16)20-10(2)22/h3-8H,1-2H3,(H,19,21)(H,20,22)",C18H14N2O4,,,,,,RKLPTFIRIIMBDK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.294,201-423-5,82-45-1,1-aminoanthraquinone,"1-amino-9,10-anthraquinone",Nc1cccc2C(=O)c3ccccc3C(=O)c12,Nc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2",C14H9NO2,,,,,,KHUFHLFHOQVFGB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.784,200-861-4,75-33-2,Propane-2-thiol,propane-2-thiol,CC(C)S,CC(C)S,"InChI=1/C3H8S/c1-3(2)4/h3-4H,1-2H3",C3H8S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11724,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.784,KJRCEJOSASVSRA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.795,200-874-5,75-47-8,Iodoform,iodoform,IC(I)I,IC(I)I,InChI=1/CHI3/c2-1(3)4/h1H,CHI3,,,,,,OKJPEAGHQZHRQV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.797,200-876-6,75-52-5,Nitromethane,nitromethane,C[N+](=O)[O-],C[N+](=O)[O-],InChI=1/CH3NO2/c1-2(3)4/h1H3,CH3NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11417,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.797,LYGJENNIWJXYER-UHFFFAOYSA-N,,,,,,,,,,,
100.000.803,200-882-9,75-59-2,Tetramethylammonium hydroxide,"N,N,N-trimethylmethanaminium hydroxide",[OH-].C[N+](C)(C)C,[OH-].C[N+](C)(C)C,"InChI=1/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1",C4H12N.HO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14295,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.803,WGTYBPLFGIVFAS-UHFFFAOYSA-M,,,,,,,,,,,
100.000.807,200-887-6,75-63-8,Bromotrifluoromethane,bromo(trifluoro)methane,FC(F)(F)Br,FC(F)(F)Br,"InChI=1/CBrF3/c2-1(3,4)5",CBrF3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10495,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.807,RJCQBQGAPKAMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.810,200-890-2,75-66-1,2-methylpropane-2-thiol,2-methylpropane-2-thiol,CC(C)(C)S,CC(C)(C)S,"InChI=1/C4H10S/c1-4(2,3)5/h5H,1-3H3",C4H10S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2129,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.810,WMXCDAVJEZZYLT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.817,200-898-6,75-75-2,Methanesulphonic acid,methanesulfonic acid,CS(=O)(=O)O,CS(=O)(=O)O,"InChI=1/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)",CH4O3S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14198,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.817,AFVFQIVMOAPDHO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.820,200-901-0,75-78-5,Dichloro(dimethyl)silane,dichloro(dimethyl)silane,C[Si](C)(Cl)Cl,C[Si](C)(Cl)Cl,"InChI=1/C2H6Cl2Si/c1-5(2,3)4/h1-2H3",C2H6Cl2Si,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15406,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.820,LIKFHECYJZWXFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.825,200-906-8,75-83-2,"2,2-dimethylbutane","2,2-dimethylbutane",CCC(C)(C)C,CCC(C)(C)C,"InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H3",C6H14,,,,,,HNRMPXKDFBEGFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.827,200-908-9,75-85-4,2-methylbutan-2-ol,2-methylbutan-2-ol,CCC(C)(C)O,CCC(C)(C)O,"InChI=1/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3",C5H12O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10040,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.827,MSXVEPNJUHWQHW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.832,200-914-1,75-90-1,Trifluoroacetaldehyde,trifluoroacetaldehyde,FC(F)(F)C=O,FC(F)(F)C=O,"InChI=1/C2HF3O/c3-2(4,5)1-6/h1H",C2HF3O,,,,,,JVTSHOJDBRTPHD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.833,200-915-7,75-91-2,tert-butyl hydroperoxide,tert-butyl hydroperoxide,CC(C)(C)OO,CC(C)(C)OO,"InChI=1/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3",C4H10O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13623,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.833,CIHOLLKRGTVIJN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.840,200-923-0,75-99-0,"2,2-dichloropropionic acid","2,2-dichloropropanoic acid",CC(Cl)(Cl)C(=O)O,CC(Cl)(Cl)C(=O)O,"InChI=1/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)",C3H4Cl2O2,,,,,,NDUPDOJHUQKPAG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.303,201-432-4,82-65-5,"2H-naphth[1,8-cd]isothiazole-3,5-disulphonic acid 1,1-dioxide","2H-naphtho[1,8-cd]isothiazole-3,5-disulfonic acid 1,1-dioxide",OS(=O)(=O)c1cc(c2cccc3c2c1NS3(=O)=O)S(=O)(=O)O,OS(=O)(=O)c1cc(c2cccc3c2c1NS3(=O)=O)S(=O)(=O)O,"InChI=1/C10H7NO8S3/c12-20(13)6-3-1-2-5-7(21(14,15)16)4-8(22(17,18)19)10(11-20)9(5)6/h1-4,11H,(H,14,15,16)(H,17,18,19)",C10H7NO8S3,,,,,,SOEOLOYSOQPCII-UHFFFAOYSA-N,,,,,,,,,,,
100.001.306,201-436-6,82-71-3,Styphnic acid,"2,4,6-trinitrobenzene-1,3-diol",Oc1c(cc(c(O)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Oc1c(cc(c(O)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H",C6H3N3O8,,,,,,IXHMHWIBCIYOAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.311,201-441-3,82-86-0,Acenaphthenequinone,acenaphthoquinone,O=C1C(=O)c2cccc3cccc1c23,O=C1C(=O)c2cccc3cccc1c23,InChI=1/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H,C12H6O2,,,,,,AFPRJLBZLPBTPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.312,201-442-9,82-87-1,"4,4'-benzylidenedi-o-toluidine","4,4'-(phenylmethylene)bis(2-methylaniline)",Cc1cc(ccc1N)C(c2ccccc2)c3ccc(N)c(C)c3,Cc1cc(ccc1N)C(c2ccccc2)c3ccc(N)c(C)c3,"InChI=1/C21H22N2/c1-14-12-17(8-10-19(14)22)21(16-6-4-3-5-7-16)18-9-11-20(23)15(2)13-18/h3-13,21H,22-23H2,1-2H3",C21H22N2,,,,,,FANQUUGICQRGJV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.316,201-447-6,82-94-0,"4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride","4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-N,N,N-trimethylanilinium dichloride",[Cl-].[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C,[Cl-].[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C,"InChI=1/C26H33N3.2ClH/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;/h8-19H,1-7H3;2*1H/q+2;;/p-2",C26H33N3.2Cl,,,,,,DWCZIOOZPIDHAB-UHFFFAOYSA-L,,,,,,,,,,,
100.001.323,201-454-4,83-12-5,Phenindione,"2-phenyl-1H-indene-1,3(2H)-dione",O=C1C(C(=O)c2ccccc12)c3ccccc3,O=C1C(C(=O)c2ccccc12)c3ccccc3,"InChI=1/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H",C15H10O2,,,,,,NFBAXHOPROOJAW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.330,201-462-8,83-26-1,Pindone,"2-(2,2-dimethylpropanoyl)-1H-indene-1,3(2H)-dione",CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,"InChI=1/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3",C14H14O3,,,,,,RZKYEQDPDZUERB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.331,201-463-3,83-27-2,Diethyl (1-methylpropyl)malonate,diethyl sec-butylmalonate,CCOC(=O)C(C(C)CC)C(=O)OCC,CCOC(=O)C(C(C)CC)C(=O)OCC,"InChI=1/C11H20O4/c1-5-8(4)9(10(12)14-6-2)11(13)15-7-3/h8-9H,5-7H2,1-4H3",C11H20O4,,,,,,MIIZSUOEOUHAIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.332,201-464-9,83-28-3,"2-isovalerylindan-1,3-dione","2-(3-methylbutanoyl)-1H-indene-1,3(2H)-dione",CC(C)CC(=O)C1C(=O)c2ccccc2C1=O,CC(C)CC(=O)C1C(=O)c2ccccc2C1=O,"InChI=1/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3",C14H14O3,,,,,,PVWMAOPFDINGAY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.337,201-470-1,83-33-0,Indan-1-one,indan-1-one,O=C1CCc2ccccc12,O=C1CCc2ccccc12,"InChI=1/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2",C9H8O,,,,,,QNXSIUBBGPHDDE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.344,201-478-5,83-44-3,"3-a,12-a-dihydroxy-5-ß-cholan-24-oic acid","3,12-dihydroxycholan-24-oic acid",CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,"InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)",C24H40O4,,,,,,KXGVEGMKQFWNSR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.346,201-480-6,83-46-5,Stigmast-5-en-3-ß-ol,stigmast-5-en-3-ol,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3",C29H50O,,,,,,KZJWDPNRJALLNS-VJSFXXLFSA-N,,,,,,,,,,,
100.001.354,201-489-5,83-62-5,"1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2ccc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2ccc1S(=O)(=O)O,"InChI=1/C14H9NO5S/c15-12-10(21(18,19)20)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16/h1-6H,15H2,(H,18,19,20)",C14H9NO5S,,,,,,PZSHANOBYYVNEX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.356,201-491-6,83-64-7,4-amino-5-hydroxynaphthalene-1-sulphonic acid,4-amino-5-hydroxynaphthalene-1-sulfonic acid,Nc1ccc(c2cccc(O)c12)S(=O)(=O)O,Nc1ccc(c2cccc(O)c12)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,LRDIEHDJWYRVPT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.360,201-495-8,83-69-2,4-amino-3-methylnaphthol,4-amino-3-methyl-1-naphthol,Cc1cc(O)c2ccccc2c1N,Cc1cc(O)c2ccccc2c1N,"InChI=1/C11H11NO/c1-7-6-10(13)8-4-2-3-5-9(8)11(7)12/h2-6,13H,12H2,1H3",C11H11NO,,,,,,YJRCNAAPGQBVFS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.362,201-497-9,83-73-8,Diiodohydroxyquinoline,"5,7-diiodoquinolin-8-ol",Oc1c(I)cc(I)c2cccnc12,Oc1c(I)cc(I)c2cccnc12,"InChI=1/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",C9H5I2NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11050,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.362,UXZFQZANDVDGMM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.365,201-501-9,83-79-4,"(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one","2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one",COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C,COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C,"InChI=1/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3",C23H22O6,,,,,,JUVIOZPCNVVQFO-HBGVWJBISA-N,,,,,,,,,,,
100.001.381,201-519-7,84-17-3,Dienestrol,"4,4'-hexa-2,4-diene-3,4-diyldiphenol",Oc1ccc(cc1)C(=CC)C(=CC)c2ccc(O)cc2,Oc1ccc(cc1)C(=CC)C(=CC)c2ccc(O)cc2,"InChI=1/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3",C18H18O2,,,,,,NFDFQCUYFHCNBW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.386,201-524-4,84-31-1,(8a)-6'-methoxycinchonan-9-one,6'-methoxycinchonan-9-one,COc1ccc2nccc(C(=O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,COc1ccc2nccc(C(=O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3",C20H22N2O2,,,,,,SRFCUPVBYYAMIL-NJSLBKSFSA-N,,,,,,,,,,,
100.001.395,201-534-9,84-50-4,"9,10-dioxoanthracene-2,6-disulphonic acid","9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid",OS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)O,OS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)O,"InChI=1/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)",C14H8O8S2,,,,,,MSSUFHMGCXOVBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.399,201-539-6,84-54-8,2-methylanthraquinone,"2-methyl-9,10-anthraquinone",Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3",C15H10O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17757,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.399,NJWGQARXZDRHCD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.402,201-542-2,84-58-2,"4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile","4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile",ClC1=C(Cl)C(=O)C(=C(C#N)C1=O)C#N,ClC1=C(Cl)C(=O)C(=C(C#N)C1=O)C#N,InChI=1/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13,C8Cl2N2O2,,,,,,HZNVUJQVZSTENZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.403,201-543-8,84-59-3,"2,6-dibromonaphthalene-1,5-diol","2,6-dibromonaphthalene-1,5-diol",Oc1c(Br)ccc2c(O)c(Br)ccc12,Oc1c(Br)ccc2c(O)c(Br)ccc12,"InChI=1/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H",C10H6Br2O2,,,,,,GHJUWGHWJYULLK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.408,201-549-0,84-65-1,Anthraquinone,"9,10-anthraquinone",O=C1c2ccccc2C(=O)c3ccccc13,O=C1c2ccccc2C(=O)c3ccccc13,InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,C14H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2211,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.408,RZVHIXYEVGDQDX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.409,201-550-6,84-66-2,Diethyl phthalate,diethyl phthalate,CCOC(=O)c1ccccc1C(=O)OCC,CCOC(=O)c1ccccc1C(=O)OCC,"InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3",C12H14O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14869,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.409,FLKPEMZONWLCSK-UHFFFAOYSA-N,Positive/Negative,SM835301;EQ367201|EQ367202|EQ367203|EQ367204|EQ367205|EQ367206|EQ367207|EQ367208|EQ367209,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,149.0233:177.0546:121.0284;177.0545:149.0233:65.0385|149.0233:177.0546:65.0385|149.0233:177.0547:121.0284|149.0233:121.0284:121.0396|149.0233:121.0284:121.0396|65.0385:149.0233:121.0284|65.0386:121.0396:121.0284|65.0386:53.0022:121.0396|65.0386:53.0022:67.9893,CASMI_2016;Eawag,EQ367251|EQ367252|EQ367253|EQ367254|EQ367255|EQ367256|EQ367257|EQ367258,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150,221.0821:71.0503:69.0347|71.0503:121.0296:69.0346|71.0503:121.0296:69.0346|71.0503:121.0296:69.0346|71.0503:69.0346:121.0296|71.0503:75.0241:69.0347|75.0241:69.0346:71.0503|75.0241:69.0347,Eawag
100.001.412,201-553-2,84-69-5,Diisobutyl phthalate,diisobutyl phthalate,CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C,CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C,"InChI=1/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3",C16H22O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13519,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.412,MGWAVDBGNNKXQV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.421,201-563-7,84-79-7,"2-hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone","2-hydroxy-3-(3-methylbut-2-en-1-yl)-1,4-naphthoquinone",CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C,CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C,"InChI=1/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3",C15H14O3,,,,,,CIEYTVIYYGTCCI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.422,201-564-2,84-80-0,Phytomenadione,"2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1,4-naphthoquinone",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CC\\C2=C(/C)C(=O)c1ccccc1C2=O,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CC\C2=C(/C)C(=O)c1ccccc1C2=O,"InChI=1/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3",C31H46O2,,,,,,MBWXNTAXLNYFJB-DNQXCXABSA-N,,,,,,,,,,,
100.001.430,201-573-1,84-91-3,"7-nitronaphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid","7-nitronaphtho[1,2-d][1,2,3]oxadiazole-5-sulfonic acid",OS(=O)(=O)c1cc2onnc2c3ccc(cc13)[N+](=O)[O-],OS(=O)(=O)c1cc2onnc2c3ccc(cc13)[N+](=O)[O-],"InChI=1/C10H5N3O6S/c14-13(15)5-1-2-6-7(3-5)9(20(16,17)18)4-8-10(6)11-12-19-8/h1-4H,(H,16,17,18)",C10H5N3O6S,,,,,,NLBIPCLXYJYOQP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.438,201-582-0,85-02-9,Benzo[f]quinoline,benzo[f]quinoline,c1ccc2c(c1)ccc3ncccc23,c1ccc2c(c1)ccc3ncccc23,InChI=1/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H,C13H9N,,,,,,HCAUQPZEWLULFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.440,201-584-1,85-06-3,3-methylbenzo[f]quinoline,3-methylbenzo[f]quinoline,Cc1ccc2c(ccc3ccccc23)n1,Cc1ccc2c(ccc3ccccc23)n1,"InChI=1/C14H11N/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15-10/h2-9H,1H3",C14H11N,,,,,,SUHRSZJZYUCLOD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.447,201-592-5,85-19-8,5-chloro-2-hydroxybenzophenone,(5-chloro-2-hydroxyphenyl)(phenyl)methanone,Oc1ccc(Cl)cc1C(=O)c2ccccc2,Oc1ccc(Cl)cc1C(=O)c2ccccc2,"InChI=1/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H",C13H9ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17078,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.447,OMWSZDODENFLSV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.451,201-596-7,85-29-0,"2,4'-dichlorobenzophenone",(2-chlorophenyl)(4-chlorophenyl)methanone,Clc1ccc(cc1)C(=O)c2ccccc2Cl,Clc1ccc(cc1)C(=O)c2ccccc2Cl,InChI=1/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,C13H8Cl2O,,,,,,YXMYPHLWXBXNFF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.452,201-597-2,85-31-4,2-amino-6-mercaptopurin-9-ylriboside,2-amino-9-pentofuranosyl-9H-purine-6-thiol,Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1,Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1,"InChI=1/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)",C10H13N5O4S,,,,,,OTDJAMXESTUWLO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.453,201-598-8,85-32-5,5'-guanylic acid,5'-guanylic acid,NC1=Nc2c(ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C(=O)N1,NC1=Nc2c(ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C(=O)N1,"InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)",C10H14N5O8P,,,,,,RQFCJASXJCIDSX-UUOKFMHZSA-N,,,,,,,,,,,
100.001.464,201-610-1,85-47-2,Naphthalene-1-sulphonic acid,naphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc2ccccc12,OS(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)",C10H8O3S,,,,,,PSZYNBSKGUBXEH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.473,201-620-6,85-64-3,Laudanine,"5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol",COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O,COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O,"InChI=1/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3",C20H25NO4,,,,,,MPYHGNAJOKCMAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.477,201-624-8,85-70-1,Butoxycarbonylmethyl butyl phthalate,2-butoxy-2-oxoethyl butyl phthalate,CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC,CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC,"InChI=1/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3",C18H24O6,,,,,,GOJCZVPJCKEBQV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.479,201-626-9,85-72-3,2-[[(3-methylphenyl)amino]carbonyl]benzoic acid,2-[(3-methylphenyl)carbamoyl]benzoic acid,Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1,Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1,"InChI=1/C15H13NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)",C15H13NO3,,,,,,AZPJXONNBLOZFE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.481,201-629-5,85-74-5,"4-aminonaphthalene-1,7-disulphonic acid","4-aminonaphthalene-1,7-disulfonic acid",Nc1ccc(c2cc(ccc12)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc(c2cc(ccc12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-9-3-4-10(19(15,16)17)8-5-6(18(12,13)14)1-2-7(8)9/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,JSBQMQFABBMNSV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.484,201-632-1,85-79-0,Cinchocaine,2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,"InChI=1/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)",C20H29N3O2,,,,,,PUFQVTATUTYEAL-UHFFFAOYSA-N,Positive,EQ329401|EQ329402|EQ329403|EQ329404|EQ329405|EQ329406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,344.2334:271.1443:74.0964|271.1442:344.2335:215.0818|271.1442:215.0817:172.0394|215.0817:172.0393:144.0445|116.0495:144.0445:172.0393|116.0495:144.0445:171.0553,Eawag,,,,,
100.001.485,201-633-7,85-81-4,Methyl 8-nitro-6-quinolyl ether,6-methoxy-8-nitroquinoline,COc1cc(c2ncccc2c1)[N+](=O)[O-],COc1cc(c2ncccc2c1)[N+](=O)[O-],"InChI=1/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3",C10H8N2O3,,,,,,MIMUSZHMZBJBPO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.486,201-634-2,85-82-5,"1-(2,5-xylylazo)-2-naphthol","1-[(2,5-dimethylphenyl)diazenyl]-2-naphthol",Cc1ccc(C)c(c1)N=Nc2c(O)ccc3ccccc23,Cc1ccc(C)c(c1)N=Nc2c(O)ccc3ccccc23,"InChI=1/C18H16N2O/c1-12-7-8-13(2)16(11-12)19-20-18-15-6-4-3-5-14(15)9-10-17(18)21/h3-11,21H,1-2H3",C18H16N2O,,,,,,VUSAIZBVVMZCCH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.491,201-640-5,85-87-0,Pyridoxamine,4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol,Cc1ncc(CO)c(CN)c1O,Cc1ncc(CO)c(CN)c1O,"InChI=1/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3",C8H12N2O2,,,,,,NHZMQXZHNVQTQA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.495,201-644-7,85-97-2,"3-chloro[1,1'-biphenyl]-2-ol",3-chlorobiphenyl-2-ol,Oc1c(Cl)cccc1c2ccccc2,Oc1c(Cl)cccc1c2ccccc2,"InChI=1/C12H9ClO/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,14H",C12H9ClO,,,,,,XBILVINOJVKEHG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.497,201-646-8,86-00-0,2-nitrobiphenyl,2-nitrobiphenyl,[O-][N+](=O)c1ccccc1c2ccccc2,[O-][N+](=O)c1ccccc1c2ccccc2,InChI=1/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,C12H9NO2,,,,,,YOJKKXRJMXIKSR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.499,201-648-9,86-04-4,Inosine 5'-(trihydrogen diphosphate),9-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-ol,OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)O)n2cnc3c(O)ncnc23,OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)O)n2cnc3c(O)ncnc23,"InChI=1/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)",C10H14N4O11P2,,,,,,JPXZQMKKFWMMGK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.502,201-652-0,86-15-7,"4-(2,5-dibutoxy-4-nitrophenyl)morpholine","4-(2,5-dibutoxy-4-nitrophenyl)morpholine",CCCCOc1cc(c(OCCCC)cc1N2CCOCC2)[N+](=O)[O-],CCCCOc1cc(c(OCCCC)cc1N2CCOCC2)[N+](=O)[O-],"InChI=1/C18H28N2O5/c1-3-5-9-24-17-14-16(20(21)22)18(25-10-6-4-2)13-15(17)19-7-11-23-12-8-19/h13-14H,3-12H2,1-2H3",C18H28N2O5,,,,,,MKVBADWWJFSRRK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.506,201-656-2,86-21-5,Pheniramine,"N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine",CN(C)CCC(c1ccccc1)c2ccccn2,CN(C)CCC(c1ccccc1)c2ccccn2,"InChI=1/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3",C16H20N2,,,,,,IJHNSHDBIRRJRN-UHFFFAOYSA-N,Positive,EQ300501|EQ300502|EQ300503|EQ300504|EQ300505|EQ300506|EQ300507|EQ300508|EQ300509;ET150001|ET150002|ET150003|ET150004|ET150005,[M+H]+;[M+H]+,"HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",196.112:241.1699|196.112:241.1699|196.112:168.0808:167.0729|196.1121:168.0808:167.073|168.0808:196.1121:167.073|167.073:168.0808:91.0542|167.0729:118.0651:91.0542|167.073:166.0652:118.0651|139.0542:166.0651:140.0495;196.1122:241.1701:168.0805|196.1122:241.1701:167.0725|196.1123:168.081:167.073|196.1122:168.0809:167.0732|168.0809:196.1123:167.0733,Eawag;Eawag_Additional_Specs,,,,,
100.001.508,201-658-3,86-25-9,N-octyl-N-phenylaniline,N-octyl-N-phenylaniline,CCCCCCCCN(c1ccccc1)c2ccccc2,CCCCCCCCN(c1ccccc1)c2ccccc2,"InChI=1/C20H27N/c1-2-3-4-5-6-13-18-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3",C20H27N,,,,,,RQVGZVZFVNMBGS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.509,201-659-9,86-26-0,Biphenyl-2-yl methyl ether,2-methoxybiphenyl,COc1ccccc1c2ccccc2,COc1ccccc1c2ccccc2,"InChI=1/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3",C13H12O,,,,,,NLWCWEGVNJVLAX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.512,201-663-0,86-30-6,Nitrosodiphenylamine,N-nitroso-N-phenylaniline,O=NN(c1ccccc1)c2ccccc2,O=NN(c1ccccc1)c2ccccc2,InChI=1/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C12H10N2O,,,,,,UBUCNCOMADRQHX-UHFFFAOYSA-N,Positive,EQ335501|EQ335502|EQ335503|EQ335504|EQ335505|EQ335506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,169.0886:199.0867:168.0809|169.0885:168.0808:66.0464|169.0885:66.0464:168.0808|66.0464:168.0808:104.0494|66.0464:168.0807:104.0494|66.0464:168.0808:95.0491,Eawag,,,,,
100.001.517,201-668-8,86-40-8,"3,6-diamino-10-methylacridinium chloride","3,6-diamino-10-methylacridinium chloride",[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,"InChI=1/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H",C14H14N3.Cl,,,,,,KKAJSJJFBSOMGS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.519,201-670-9,86-43-1,Propoxycaine,2-(diethylamino)ethyl 4-amino-2-propoxybenzoate,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,"InChI=1/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",C16H26N2O3,,,,,,CAJIGINSTLKQMM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.522,201-674-0,86-48-6,1-hydroxy-2-naphthoic acid,1-hydroxy-2-naphthoic acid,OC(=O)c1ccc2ccccc2c1O,OC(=O)c1ccc2ccccc2c1O,"InChI=1/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)",C11H8O3,,,,,,SJJCQDRGABAVBB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.523,201-675-6,86-49-7,"2-chloro-N,N-diethyl-4-nitroaniline","2-chloro-N,N-diethyl-4-nitroaniline",CCN(CC)c1ccc(cc1Cl)[N+](=O)[O-],CCN(CC)c1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C10H13ClN2O2/c1-3-12(4-2)10-6-5-8(13(14)15)7-9(10)11/h5-7H,3-4H2,1-2H3",C10H13ClN2O2,,,,,,PCVJAZCSKCCKPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.536,201-689-2,86-65-7,"7-aminonaphthalene-1,3-disulphonic acid","7-aminonaphthalene-1,3-disulfonic acid",Nc1ccc2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,CMOLPZZVECHXKN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.543,201-697-6,86-75-9,Benzoxiquine,quinolin-8-yl benzoate,O=C(Oc1cccc2cccnc12)c3ccccc3,O=C(Oc1cccc2cccnc12)c3ccccc3,InChI=1/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H,C16H11NO2,,,,,,BHKPHCKISVSDGV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.552,201-706-3,86-88-4,Antu,1-(1-naphthyl)thiourea,NC(=S)Nc1cccc2ccccc12,NC(=S)Nc1cccc2ccccc12,"InChI=1/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)",C11H10N2S,,,,,,PIVQQUNOTICCSA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.567,201-723-6,87-10-5,Tribromsalan,"3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide",Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(Br)cc2,Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(Br)cc2,"InChI=1/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)",C13H8Br3NO2,,,,,,KVSKGMLNBAPGKH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.568,201-724-1,87-12-7,Dibromsalan,5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide,Oc1ccc(Br)cc1C(=O)Nc2ccc(Br)cc2,Oc1ccc(Br)cc1C(=O)Nc2ccc(Br)cc2,"InChI=1/C13H9Br2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)",C13H9Br2NO2,,,,,,CTFFKFYWSOSIAA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.570,201-726-2,87-16-1,2-methoxyphenyl salicylate,2-methoxyphenyl salicylate,COc1ccccc1OC(=O)c2ccccc2O,COc1ccccc1OC(=O)c2ccccc2O,"InChI=1/C14H12O4/c1-17-12-8-4-5-9-13(12)18-14(16)10-6-2-3-7-11(10)15/h2-9,15H,1H3",C14H12O4,,,,,,APMWEQQELZTXTL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.571,201-727-8,87-17-2,Salicylanilide,2-hydroxy-N-phenylbenzamide,Oc1ccccc1C(=O)Nc2ccccc2,Oc1ccccc1C(=O)Nc2ccccc2,"InChI=1/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)",C13H11NO2,,,,,,WKEDVNSFRWHDNR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.573,201-729-9,87-19-4,Isobutyl salicylate,isobutyl salicylate,CC(C)COC(=O)c1ccccc1O,CC(C)COC(=O)c1ccccc1O,"InChI=1/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3",C11H14O3,,,,,,PTXDBYSCVQQBNF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.575,201-732-5,87-22-9,Phenethyl salicylate,2-phenylethyl salicylate,Oc1ccccc1C(=O)OCCc2ccccc2,Oc1ccccc1C(=O)OCCc2ccccc2,"InChI=1/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2",C15H14O3,,,,,,YNMSDIQQNIRGDP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.582,201-739-3,87-32-1,Na-acetyl-DL-tryptophan,N-acetyltryptophan,CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)",C13H14N2O3,,,,,,DZTHIGRZJZPRDV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.585,201-743-5,87-40-1,"2,4,6-trichloroanisole","1,3,5-trichloro-2-methoxybenzene",COc1c(Cl)cc(Cl)cc1Cl,COc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3",C7H5Cl3O,,,,,,WCVOGSZTONGSQY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.591,201-749-8,87-52-5,Indol-3-ylmethyldimethylamine,"1-(1H-indol-3-yl)-N,N-dimethylmethanamine",CN(C)Cc1c[nH]c2ccccc12,CN(C)Cc1c[nH]c2ccccc12,"InChI=1/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3",C11H14N2,,,,,,OCDGBSUVYYVKQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.593,201-751-9,87-55-8,2-methyl-5-oxocyclopent-1-enyl propionate,2-methyl-5-oxocyclopent-1-en-1-yl propionate,CCC(=O)OC1=C(C)CCC1=O,CCC(=O)OC1=C(C)CCC1=O,"InChI=1/C9H12O3/c1-3-8(11)12-9-6(2)4-5-7(9)10/h3-5H2,1-2H3",C9H12O3,,,,,,NKRMCRMCMGRKHS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.602,201-761-3,87-65-0,"2,6-dichlorophenol","2,6-dichlorophenol",Oc1c(Cl)cccc1Cl,Oc1c(Cl)cccc1Cl,"InChI=1/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",C6H4Cl2O,,,,,,HOLHYSJJBXSLMV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.606,201-766-0,87-69-4,(+)-tartaric acid,tartaric acid,OC(C(O)C(=O)O)C(=O)O,OC(C(O)C(=O)O)C(=O)O,"InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",C4H6O6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15126,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.606,FEWJPZIEWOKRBE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.611,201-771-8,87-79-6,L-Sorbose,L-sorbose,OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO,OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2",C6H12O6,,,,,,BJHIKXHVCXFQLS-OTWZMJIISA-N,,,,,,,,,,,
100.001.616,201-777-0,87-85-4,Hexamethylbenzene,hexamethylbenzene,Cc1c(C)c(C)c(C)c(C)c1C,Cc1c(C)c(C)c(C)c(C)c1C,InChI=1/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3,C12H18,,,,,,YUWFEBAXEOLKSG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.619,201-780-7,87-88-7,"2,5-dichloro-3,6-dihydroxybenzoquinone","2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone",OC1=C(Cl)C(=O)C(=C(Cl)C1=O)O,OC1=C(Cl)C(=O)C(=C(Cl)C1=O)O,"InChI=1/C6H2Cl2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H",C6H2Cl2O4,,,,,,IPPWILKGXFOXHO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.620,201-781-2,87-89-8,Myo-inositol,"cyclohexane-1,2,3,4,5,6-hexol",O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,C6H12O6,,,,,,CDAISMWEOUEBRE-GPIVLXJGSA-N,,,,,,,,,,,
100.001.622,201-783-3,87-91-2,Diethyl tartrate,diethyl tartarate,CCOC(=O)C(O)C(O)C(=O)OCC,CCOC(=O)C(O)C(O)C(=O)OCC,"InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3",C8H14O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18416,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.622,YSAVZVORKRDODB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.624,201-785-4,87-96-7,6-deoxy-L-galactopyranose,6-deoxy-L-galactopyranose,C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3",C6H12O5,,,,,,SHZGCJCMOBCMKK-DHVFOXMCSA-N,,,,,,,,,,,
100.000.627,200-690-5,68-42-8,"3a,11ß,21-trihydroxy-5ß-pregnan-20-one","3,11,21-trihydroxypregnan-20-one",C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3",C21H34O4,,,,,,RHQQHZQUAMFINJ-DTDWNVJFSA-N,,,,,,,,,,,
100.000.630,200-693-1,68-88-2,Hydroxyzine,2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol,OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,"InChI=1/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2",C21H27ClN2O2,,,,,,ZQDWXGKKHFNSQK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.633,200-696-8,68-91-7,Trimetaphan camsilate,"1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C3N(Cc4ccccc4)C5C[S+]6CCCC6C5N3Cc7ccccc7,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C3N(Cc4ccccc4)C5C[S+]6CCCC6C5N3Cc7ccccc7,"InChI=1/C22H25N2OS.C10H16O4S/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-6,8-11,19-21H,7,12-16H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1",C22H25N2OS.C10H15O4S,,,,,,HALWUDBBYKMYPW-UHFFFAOYSA-M,,,,,,,,,,,
100.000.636,200-699-4,68-96-2,Hydroxyprogesterone,"17-hydroxypregn-4-ene-3,20-dione",CC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\\C1=C\\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,CC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,"InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3",C21H30O3,,,,,,DBPWSSGDRRHUNT-CEGNMAFCSA-N,,,,,,,,,,,
100.000.640,200-703-4,69-33-0,"7-ß-CD-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine","7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine",Nc1ncnc2c1ccn2C3OC(CO)C(O)C3O,Nc1ncnc2c1ccn2C3OC(CO)C(O)C3O,"InChI=1/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)",C11H14N4O4,,,,,,HDZZVAMISRMYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.644,200-708-1,69-52-3,"Sodium [2S-[2a,5a,6ß(S*)]]-6-(aminophenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O[Na],CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O[Na],"InChI=1/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1",C16H19N3O4S.Na,,,,,,KLOHDWPABZXLGI-UHFFFAOYSA-M,,,,,,,,,,,
100.000.647,200-711-8,69-65-8,D-mannitol,D-mannitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2",C6H14O6,,,,,,FBPFZTCFMRRESA-KVTDHHQDSA-N,,,,,,,,,,,
100.000.651,200-716-5,69-79-4,Maltose,4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2",C12H22O11,,,,,,GUBGYTABKSRVRQ-QUYVBRFLSA-N,,,,,,,,,,,
100.000.652,200-717-0,69-81-8,Carbazochrome,"3-hydroxy-1-methylindoline-5,6-dione 5-semicarbazone",NC(=O)NN=C1\\C=C2/C(=C\\C1=O)N(C)CC2O,NC(=O)NN=C1\C=C2/C(=C\C1=O)N(C)CC2O,"InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)",C10H12N4O3,,,,,,XSXCZNVKFKNLPR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.653,200-718-6,69-89-6,"Purine-2(3H),6(1H)-dione",xanthine,O=C1NC(=O)c2[nH]cnc2N1,O=C1NC(=O)c2[nH]cnc2N1,"InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",C5H4N4O2,,,,,,LRFVTYWOQMYALW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.656,200-721-2,69-96-5,ß-hydroxy-3-phenyl-DL-alanine,beta-hydroxyphenylalanine,NC(C(O)c1ccccc1)C(=O)O,NC(C(O)c1ccccc1)C(=O)O,"InChI=1/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)",C9H11NO3,,,,,,VHVGNTVUSQUXPS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.658,200-723-3,70-07-5,Mephenoxalone,"5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one",COc1ccccc1OCC2CNC(=O)O2,COc1ccccc1OCC2CNC(=O)O2,"InChI=1/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)",C11H13NO4,,,,,,ZMNSRFNUONFLSP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.660,200-725-4,70-18-8,Glutathione,L-gamma-glutamyl-L-cysteinylglycine,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,"InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)",C10H17N3O6S,,,,,,RWSXRVCMGQZWBV-WDSKDSINSA-N,,,,,,,,,,,
100.000.667,200-733-8,70-30-4,Hexachlorophene,"2,2'-methylenebis(3,4,6-trichlorophenol)",Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl,Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl,"InChI=1/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2",C13H6Cl6O2,,,,,,ACGUYXCXAPNIKK-UHFFFAOYSA-N,Negative,,,,,,SM835553;ETS00124,[M-H]-;[M-H]-,HCD35;HCDscaled by m/z,402.8425:194.9176:366.8657;194.9175:366.8653:302.894,CASMI_2016;Eawag_Additional_Specs2
100.000.675,200-742-7,70-69-9,4'-aminopropiophenone,1-(4-aminophenyl)propan-1-one,CCC(=O)c1ccc(N)cc1,CCC(=O)c1ccc(N)cc1,"InChI=1/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",C9H11NO,,,,,,FSWXOANXOQPCFF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.676,200-743-2,70-70-2,Paroxypropione,1-(4-hydroxyphenyl)propan-1-one,CCC(=O)c1ccc(O)cc1,CCC(=O)c1ccc(O)cc1,"InChI=1/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",C9H10O2,,,,,,RARSHUDCJQSEFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.679,200-746-9,71-23-8,Propan-1-ol,propan-1-ol,CCCO,CCCO,"InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",C3H8O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14586,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.679,BDERNNFJNOPAEC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.683,200-751-6,71-36-3,Butan-1-ol,butan-1-ol,CCCCO,CCCCO,"InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",C4H10O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15322,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.683,LRHPLDYGYMQRHN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.684,200-752-1,71-41-0,Pentan-1-ol,pentan-1-ol,CCCCCO,CCCCCO,"InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",C5H12O,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2115,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.684,AMQJEAYHLZJPGS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.696,200-765-2,71-79-4,2-(dimethylamino)ethyl diphenylglycolatehydrochloride,2-(dimethylamino)ethyl hydroxy(diphenyl)acetate,CN(C)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,CN(C)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C18H21NO3/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,21H,13-14H2,1-2H3",C18H21NO3.ClH,,,,,,BUEPKUNNPRRSKV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.698,200-767-3,71-82-9,Levallorphan hydrogen tartrate,"17-allylmorphinan-3-ol 2,3-dihydroxysuccinate (salt)",OC(C(O)C(=O)O)C(=O)O.Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1,OC(C(O)C(=O)O)C(=O)O.Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1,"InChI=1/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)",C19H25NO.C4H6O6,,,,,,FWMLYVACGDQRFU-MBHUSPCXSA-N,,,,,,,,,,,
100.000.704,200-774-1,72-19-5,L-threonine,L-threonine,CC(O)[C@H](N)C(=O)O,CC(O)[C@H](N)C(=O)O,"InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)",C4H9NO3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16986,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.704,AYFVYJQAPQTCCC-NFJMKROFSA-N,,,,,,,,,,,
100.000.711,200-782-5,72-48-0,"1,2-dihydroxyanthraquinone","1,2-dihydroxy-9,10-anthraquinone",Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O,Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H",C14H8O4,,,,,,RGCKGOZRHPZPFP-UHFFFAOYSA-N,Negative,,,,,,SM802851,[M-H]-,HCD35,239.035:211.04:210.0323,CASMI_2016
100.000.712,200-783-0,72-54-8,TDE,"1,1'-(2,2-dichloroethane-1,1-diyl)bis(4-chlorobenzene)",ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H",C14H10Cl4,,,,,,AHJKRLASYNVKDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.722,200-794-0,73-09-6,Etozolin,"ethyl (3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate",CN1C(=O)C(SC1=CC(=O)OCC)N2CCCCC2,CN1C(=O)C(SC1=CC(=O)OCC)N2CCCCC2,"InChI=1/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3",C13H20N2O3S,,,,,,ZCKKHYXUQFTBIK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.728,200-800-1,73-48-3,Bendroflumethiazide,"3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F,NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F,"InChI=1/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)",C15H14F3N3O4S2,,,,,,HDWIHXWEUNVBIY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.734,200-806-4,74-31-7,"N,N'-diphenyl-p-phenylenediamine","N,N'-diphenylbenzene-1,4-diamine",N(c1ccccc1)c2ccc(Nc3ccccc3)cc2,N(c1ccccc1)c2ccc(Nc3ccccc3)cc2,"InChI=1/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H",C18H16N2,,,,,,UTGQNNCQYDRXCH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.737,200-810-6,74-55-5,Ethambutol,"2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol",CC[C@@H](CO)NCCN[C@@H](CC)CO,CC[C@@H](CO)NCCN[C@@H](CC)CO,"InChI=1/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3",C10H24N2O2,,,,,,AEUTYOVWOVBAKS-UWVGGRQHSA-N,Positive,mzcloud:1032,[M+H]+,HCD_Averaged,98.0964:55.0542:116.1070,HighChem,,,,,
100.000.740,200-813-2,74-83-9,Bromomethane,bromomethane,CBr,CBr,InChI=1/CH3Br/c1-2/h1H3,CH3Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5298,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.740,GZUXJHMPEANEGY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.745,200-819-5,74-88-4,Iodomethane,iodomethane,CI,CI,InChI=1/CH3I/c1-2/h1H3,CH3I,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12834,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.745,INQOMBQAUSQDDS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.754,200-828-4,74-99-7,Propyne,prop-1-yne,CC#C,CC#C,"InChI=1/C3H4/c1-3-2/h1H,2H3",C3H4,,,,,,MWWATHDPGQKSAR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.769,200-845-7,75-17-2,Formaldehyde oxime,formaldehyde oxime,ON=C,ON=C,"InChI=1/CH3NO/c1-2-3/h3H,1H2",CH3NO,,,,,,SQDFHQJTAWCFIB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.523,200-574-4,64-04-0,Phenethylamine,2-phenylethanamine,NCCc1ccccc1,NCCc1ccccc1,"InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",C8H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16225,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.523,BHHGXPLMPWCGHP-UHFFFAOYSA-N,Positive,AU510901,[M+H]+,CID10,122.0965:123.0998:105.0714,Athens_Univ,,,,,
100.000.531,200-583-3,64-39-1,Trimeperidine,"1,2,5-trimethyl-4-phenylpiperidin-4-yl propionate",CCC(=O)O[C@]1(C[C@H](C)N(C)C[C@H]1C)c2ccccc2,CCC(=O)O[C@]1(C[C@H](C)N(C)C[C@H]1C)c2ccccc2,"InChI=1/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2/h6-10,13-14H,5,11-12H2,1-4H3",C17H25NO2,,,,,,UVITTYOJFDLOGI-KEYYUXOJSA-N,,,,,,,,,,,
100.000.537,200-590-1,64-69-7,Iodoacetic acid,acetyl iodide,CC(I)=O,CC(I)=O,InChI=1/C2H3IO/c1-2(3)4/h1H3,C2H3IO2,,,,,,LEKJTGQWLAUGQA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.546,200-600-4,65-19-0,Yohimbine hydrochloride,methyl 17-hydroxyyohimban-16-carboxylate hydrochloride,Cl.COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,Cl.COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H",C21H26N2O3.ClH,,,,,,PIPZGJSEDRMUAW-VJDCAHTMSA-N,,,,,,,,,,,
100.000.549,200-604-6,65-28-1,Phentolamine mesilate,"3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol methanesulfonate (salt)",Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3.CS(=O)(=O)O,Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3.CS(=O)(=O)O,"InChI=1/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)",C17H19N3O.CH4O3S,,,,,,OGIYDFVHFQEFKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.554,200-609-3,65-45-2,Salicylamide,salicylamide,NC(=O)c1ccccc1O,NC(=O)c1ccccc1O,"InChI=1/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",C7H7NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2210,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.554,SKZKKFZAGNVIMN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.559,200-615-6,65-64-5,Mebanazine,(1-phenylethyl)hydrazine,CC(NN)c1ccccc1,CC(NN)c1ccccc1,"InChI=1/C8H12N2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,10H,9H2,1H3",C8H12N2,,,,,,HHRZAEJMHSGZNP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.561,200-617-7,65-82-7,N-acetyl-L-methionine,N-acetyl-L-methionine,CSCC[C@H](NC(=O)C)C(=O)O,CSCC[C@H](NC(=O)C)C(=O)O,"InChI=1/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)",C7H13NO3S,,,,,,XUYPXLNMDZIRQH-LURJTMIESA-N,,,,,,,,,,,
100.000.567,200-624-5,66-25-1,Hexanal,hexanal,CCCCCC=O,CCCCCC=O,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",C6H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11636,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.567,JARKCYVAAOWBJS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.575,200-632-9,66-76-2,Dicoumarol,"3,3'-methylenebis(4-hydroxy-2H-chromen-2-one)",OC1=C(CC2=C(O)c3ccccc3OC2=O)C(=O)Oc4ccccc14,OC1=C(CC2=C(O)c3ccccc3OC2=O)C(=O)Oc4ccccc14,"InChI=1/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2",C19H12O6,,,,,,DOBMPNYZJYQDGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.581,200-639-7,66-97-7,"7H-furo[3,2-g][1]benzopyran-7-one","7H-furo[3,2-g]chromen-7-one",O=C1Oc2cc3occc3cc2C=C1,O=C1Oc2cc3occc3cc2C=C1,InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,C11H6O3,,,,,,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.582,200-640-2,66-99-9,2-naphthaldehyde,2-naphthaldehyde,O=Cc1ccc2ccccc2c1,O=Cc1ccc2ccccc2c1,InChI=1/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,C11H8O,,,,,,PJKVFARRVXDXAD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.588,200-647-0,67-21-0,DL-2-amino-4-(ethylthio)butyric acid,S-ethylhomocysteine,CCSCCC(N)C(=O)O,CCSCCC(N)C(=O)O,"InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",C6H13NO2S,,,,,,GGLZPLKKBSSKCX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.590,200-649-1,67-30-1,"4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid","[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid",OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,"InChI=1/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)",C14H8I4O4,,,,,,PPJYSSNKSXAVDB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.593,200-652-8,67-43-6,N-carboxymethyliminobis(ethylenenitrilo)tetra(acetic acid),"N,N-bis{2-[bis(carboxymethyl)amino]ethyl}glycine",OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,"InChI=1/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)",C14H23N3O10,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13561,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.593,QPCDCPDFJACHGM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.594,200-653-3,67-45-8,Furazolidone,"3-{[(5-nitro-2-furyl)methylene]amino}-1,3-oxazolidin-2-one",[O-][N+](=O)c2oc(C=NN1CCOC1=O)cc2,[O-][N+](=O)c2oc(C=NN1CCOC1=O)cc2,"InChI=1/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2",C8H7N3O5,,,,,,PLHJDBGFXBMTGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.595,200-654-9,67-47-0,5-(hydroxymethyl)-2-furaldehyde,5-(hydroxymethyl)-2-furaldehyde,OCc1oc(C=O)cc1,OCc1oc(C=O)cc1,"InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",C6H6O3,,,,,,NOEGNKMFWQHSLB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.602,200-662-2,67-64-1,Acetone,acetone,CC(=O)C,CC(=O)C,InChI=1/C3H6O/c1-3(2)4/h1-2H3,C3H6O,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15460,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.602,CSCPPACGZOOCGX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.606,200-666-4,67-72-1,Hexachloroethane,hexachloroethane,ClC(Cl)(Cl)C(Cl)(Cl)Cl,ClC(Cl)(Cl)C(Cl)(Cl)Cl,"InChI=1/C2Cl6/c3-1(4,5)2(6,7)8",C2Cl6,,,,,,VHHHONWQHHHLTI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.216,201-336-2,81-24-3,"2-[[(3a,5ß,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]ethanesulphonic acid","2-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]ethanesulfonic acid",C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)",C26H45NO7S,,,,,,WBWWGRHZICKQGZ-HZAMXZRMSA-N,,,,,,,,,,,
100.001.221,201-342-5,81-30-1,"Naphthalene-1,8:4,5-tetracarboxylic dianhydride","isochromeno[6,5,4-def]isochromene-1,3,6,8-tetrone",O=C1OC(=O)c2ccc3C(=O)OC(=O)c4ccc1c2c34,O=C1OC(=O)c2ccc3C(=O)OC(=O)c4ccc1c2c34,InChI=1/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H,C14H4O6,,,,,,YTVNOVQHSGMMOV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.610,200-671-1,67-92-5,"[2-[[[1,1'-bicyclohexyl]-1-ylcarbonyl]oxy]ethyl]diethylammonium chloride","2-{[1,1'-bi(cyclohexyl)-1-ylcarbonyl]oxy}-N,N-diethylethanaminium chloride",[Cl-].CC[NH+](CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,[Cl-].CC[NH+](CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,"InChI=1/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H",C19H35NO2.ClH,,,,,,GUBNMFJOJGDCEL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.620,200-682-1,68-23-5,Noretynodrel,17-ethynyl-17-hydroxyestr-5(10)-en-3-one,C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)C#C,C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3",C20H26O2,,,,,,ICTXHFFSOAJUMG-SLHNCBLASA-N,,,,,,,,,,,
100.000.621,200-683-7,68-26-8,Retinol,retinol,C\\C(=C/CO)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3",C20H30O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11075,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.621,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,,,,,,,,,,,
100.000.003,200-002-3,50-01-1,Guanidinium chloride,amino(imino)methanaminium chloride,[Cl-].NC(=N)[NH3+],[Cl-].NC(=N)[NH3+],"InChI=1/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H",CH5N3.ClH,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13899,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.003,PJJJBBJSCAKJQF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.009,200-009-1,50-09-9,Hexobarbital sodium,"sodium 5-cyclohex-1-en-1-yl-1,5-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate",[Na+].O=C1N(C)C(=O)/N=C(/[O-])C1(C)C=2CCCCC=2,[Na+].O=C1N(C)C(=O)/N=C(/[O-])C1(C)C=2CCCCC=2,"InChI=1/C12H16N2O3.Na/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16;/h6H,3-5,7H2,1-2H3,(H,13,15,17);/q;+1/p-1",C12H16N2O3.Na,,,,,,SQMCFUSVGSBKFK-UHFFFAOYSA-M,,,,,,,,,,,
100.000.012,200-012-8,50-12-4,Mephenytoin,"5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione",CCC1(NC(=O)N(C)C1=O)c2ccccc2,CCC1(NC(=O)N(C)C1=O)c2ccccc2,"InChI=1/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)",C12H14N2O2,,,,,,GMHKMTDVRCWUDX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.015,200-015-4,50-18-0,Cyclophosphamide,"N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide",ClCCN(CCCl)P1(=O)NCCCO1,ClCCN(CCCl)P1(=O)NCCCO1,"InChI=1/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)",C7H15Cl2N2O2P,,,,,,CMSMOCZEIVJLDB-UHFFFAOYSA-N,Positive,EA257901|EA257902|EA257903|EA257904|EA257905|EA257906|EA257907|EA257908|EA257909|EA257910|EA257911|EA257912|EA257913|EA257914;UF411901|UF411902|UF411903|UF411904,[M+H]+;[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,233.001:140.003:106.0419|261.0319:140.0029|261.0319:233.0008:140.0029|140.003:261.0321:106.0419|140.0029:142.0185:106.0418|140.0029:142.0184:120.0209|140.0027:62.9996:56.0494|261.0322:106.0418:233.0017|261.0321:140.003:233.001|140.0028:261.0322:106.0419|140.0028:142.0185:106.0419|140.0029:142.0185:120.0209|140.0028:62.9996:56.0494|233.0009:140.0029:106.0419;140.0035:142.0191:106.0423|140.0035:142.0192:106.0423|140.0036:106.0423:142.0191|140.0036:106.0423:142.0192,Eawag;UFZ,,,,,
100.000.018,200-019-6,50-22-6,Corticosterone,"11,21-dihydroxypregn-4-ene-3,20-dione",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO,"InChI=1/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3",C21H30O4,,,,,,OMFXVFTZEKFJBZ-HJTSIMOOSA-N,Positive,AU218301|AU218302|AU218303|AU218304|AU218305;EQ319801|EQ319802|EQ319803|EQ319804|EQ319805|EQ319806|EQ319807|EQ319808|EQ319809,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,347.2248:348.2277:329.2133|347.2242:329.2134:348.2273|121.0651:329.2132:171.1176|121.0651:145.1018:163.1123|121.0652:145.1013:131.0859;347.2216:329.2112:311.2004|329.2112:347.2218:121.0648|121.0648:97.0648:123.0804|121.0648:97.0648:105.0699|121.0648:105.0699:91.0542|91.0542:105.0699:79.0542|91.0542:79.0542:95.0492|91.0542:95.0492:115.0542|91.0542:115.0543:65.0386,Athens_Univ;Eawag,,,,,
100.000.028,200-030-6,50-34-0,Propantheline bromide,N-isopropyl-N-methyl-N-{2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl}propan-2-aminium bromide,[Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,[Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,"InChI=1/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1",C23H30NO3.Br,,,,,,XLBIBBZXLMYSFF-UHFFFAOYSA-M,,,,,,,,,,,
100.000.036,200-039-5,50-45-3,"2,3-dichlorobenzoic acid","2,3-dichlorobenzoic acid",OC(=O)c1cccc(Cl)c1Cl,OC(=O)c1cccc(Cl)c1Cl,"InChI=1/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)",C7H4Cl2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11938,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.036,QAOJBHRZQQDFHA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.038,200-041-6,50-48-6,Amitriptyline,"3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine",CN(C)CCC=C1c2ccccc2CCc3ccccc13,CN(C)CCC=C1c2ccccc2CCc3ccccc13,"InChI=1/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",C20H23N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18939,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.038,KRMDCWKBEZIMAB-UHFFFAOYSA-N,Positive,AU150406;SM859203;EA282101|EA282102|EA282103|EA282104|EA282105|EA282106|EA282107|EA282108|EA282109|EA282110|EA282111|EA282112|EA282113|EA282114,[M+H]+;[M+H]+;[M+H]+,CIDRAMP 20.8-31.2;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,91.0538:278.1909:233.1328;278.1904:91.0542:233.1325;233.1328:117.07:105.07|278.1904:91.054:105.0695|278.1905:233.1325:117.0698|233.1325:105.0699:117.0699|91.0542:105.0699:117.0698|91.0543:105.0699:117.0699|91.0542:203.0854:191.0855|278.1906:233.133:91.0545|278.1904:233.1325:117.0698|233.1326:105.0699:117.0699|91.0542:105.0699:117.0699|91.0542:105.0699:191.0855|91.0543:203.0856:191.0856|233.1326:117.0699:105.0699,Athens_Univ;CASMI_2016;Eawag,,,,,
100.000.048,200-052-6,50-59-9,Cefaloridine,8-oxo-3-(pyridinium-1-ylmethyl)-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N13,[O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N13,"InChI=1/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)",C19H17N3O4S2,,,,,,CZTQZXZIADLWOZ-CRAIPNDOSA-N,,,,,,,,,,,
100.001.228,201-349-3,81-44-7,"N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide","N-(4-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",Brc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13,Brc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C21H12BrNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)",C21H12BrNO3,,,,,,JKRCBOYQTINLRS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.231,201-353-5,81-48-1,1-hydroxy-4-(p-toluidino)anthraquinone,"1-hydroxy-4-[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3",C21H15NO3,,,,,,LJFWQNJLLOFIJK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.232,201-354-0,81-49-2,"1-amino-2,4-dibromoanthraquinone","1-amino-2,4-dibromo-9,10-anthraquinone",Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12,Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2",C14H7Br2NO2,,,,,,ZINRVIQBCHAZMM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.234,201-356-1,81-51-6,"1-amino-2,4-dihydroxyanthraquinone","1-amino-2,4-dihydroxy-9,10-anthraquinone",Nc1c(O)cc(O)c2C(=O)c3ccccc3C(=O)c12,Nc1c(O)cc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,16-17H,15H2",C14H9NO4,,,,,,QUXBARPXUAPKDG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.237,201-359-8,81-54-9,"1,2,4-trihydroxyanthraquinone","1,2,4-trihydroxy-9,10-anthraquinone",Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H",C14H8O5,,,,,,BBNQQADTFFCFGB-UHFFFAOYSA-N,Negative,,,,,,SM837253,[M-H]-,HCD35,255.03:227.035:183.0453,CASMI_2016
100.001.238,201-360-3,81-55-0,"1,8-dihydroxy-4,5-dinitroanthraquinone","1,8-dihydroxy-4,5-dinitro-9,10-anthraquinone",Oc1ccc(c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-])[N+](=O)[O-],Oc1ccc(c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H",C14H6N2O8,,,,,,GJCHQJDEYFYWER-UHFFFAOYSA-N,,,,,,,,,,,
100.001.247,201-370-8,81-69-6,"1-amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C20H15N3O8S2/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)",C20H15N3O8S2,,,,,,VZKVROOYNMPMLU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.248,201-371-3,81-70-9,"1-hydroxy-2,4-bis(phenylamino)anthraquinone","2,4-dianilino-1-hydroxy-9,10-anthraquinone",Oc1c(Nc2ccccc2)cc(Nc3ccccc3)c4C(=O)c5ccccc5C(=O)c14,Oc1c(Nc2ccccc2)cc(Nc3ccccc3)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C26H18N2O3/c29-24-18-13-7-8-14-19(18)25(30)23-22(24)20(27-16-9-3-1-4-10-16)15-21(26(23)31)28-17-11-5-2-6-12-17/h1-15,27-28,31H",C26H18N2O3,,,,,,PEMIJWTVSXCRRB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.249,201-372-9,81-71-0,"4,4'-(2-chlorobenzylidene)di-2,5-xylidine","4,4'-[(2-chlorophenyl)methylene]bis(2,5-dimethylaniline)",Cc1cc(C(c2cc(C)c(N)cc2C)c3ccccc3Cl)c(C)cc1N,Cc1cc(C(c2cc(C)c(N)cc2C)c3ccccc3Cl)c(C)cc1N,"InChI=1/C23H25ClN2/c1-13-11-21(25)15(3)9-18(13)23(17-7-5-6-8-20(17)24)19-10-16(4)22(26)12-14(19)2/h5-12,23H,25-26H2,1-4H3",C23H25ClN2,,,,,,MCZONIGXYAOYBE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.125,202-337-0,94-48-4,Geranyl benzoate,"3,7-dimethylocta-2,6-dien-1-yl benzoate",CC(=CCC\\C(=C\\COC(=O)c1ccccc1)\\C)C,CC(=CCC\C(=C\COC(=O)c1ccccc1)\C)C,"InChI=1/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3",C17H22O2,,,,,,YDVXYTIIPGKIJP-NTCAYCPXSA-N,,,,,,,,,,,
100.002.128,202-340-7,94-51-9,"3,3'-oxydipropyl dibenzoate","oxydipropane-3,1-diyl dibenzoate",O=C(OCCCOCCCOC(=O)c1ccccc1)c2ccccc2,O=C(OCCCOCCCOC(=O)c1ccccc1)c2ccccc2,"InChI=1/C20H22O5/c21-19(17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-20(22)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2",C20H22O5,,,,,,BYQDGAVOOHIJQS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.133,202-345-4,94-59-7,"5-allyl-1,3-benzodioxole","5-allyl-1,3-benzodioxole",C=CCc1ccc2OCOc2c1,C=CCc1ccc2OCOc2c1,"InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2",C10H10O2,,,,,,ZMQAAUBTXCXRIC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.134,202-347-5,94-60-0,"Dimethyl cyclohexane-1,4-dicarboxylate","dimethyl cyclohexane-1,4-dicarboxylate",COC(=O)C1CCC(CC1)C(=O)OC,COC(=O)C1CCC(CC1)C(=O)OC,"InChI=1/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3",C10H16O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11660,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.134,LNGAGQAGYITKCW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.144,202-358-5,94-71-3,2-ethoxyphenol,2-ethoxyphenol,CCOc1ccccc1O,CCOc1ccccc1O,"InChI=1/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3",C8H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11550,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.144,MOEFFSWKSMRFRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.148,202-362-7,94-76-8,[(4-chloro-2-methylphenyl)thio]acetic acid,[(4-chloro-2-methylphenyl)sulfanyl]acetic acid,Cc1cc(Cl)ccc1SCC(=O)O,Cc1cc(Cl)ccc1SCC(=O)O,"InChI=1/C9H9ClO2S/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",C9H9ClO2S,,,,,,GREQGIILILTWOH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.050,200-054-7,50-62-4,Hexobendine dihydrochloride,"ethane-1,2-diylbis[(methylimino)propane-3,1-diyl] bis(3,4,5-trimethoxybenzoate) dihydrochloride",Cl.Cl.COc1cc(cc(OC)c1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2,Cl.Cl.COc1cc(cc(OC)c1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2,"InChI=1/C30H44N2O10.2ClH/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6;;/h17-20H,9-16H2,1-8H3;2*1H",C30H44N2O10.2ClH,,,,,,GIOKUMNZQFCEPI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.051,200-055-2,50-63-5,Chloroquine bis(phosphate),"N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine bis(phosphate)",OP(O)(=O)O.OP(O)(=O)O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,OP(O)(=O)O.OP(O)(=O)O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,"InChI=1/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)",C18H26ClN3.2H3O4P,,,,,,QKICWELGRMTQCR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.052,200-056-8,50-65-7,Niclosamide,5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide,Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-],Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-],"InChI=1/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)",C13H8Cl2N2O4,,,,,,RJMUSRYZPJIFPJ-UHFFFAOYSA-N,Negative,,,,,,mzcloud:1659,[M-H]-,HCD_Averaged,105.0222:135.02000:140.99876:151.99086:170.99664:179.0098:289.00217,HighChem
100.000.053,200-057-3,50-66-8,6-(methylthio)purine,6-(methylsulfanyl)-9H-purine,CSc1ncnc2[nH]cnc12,CSc1ncnc2[nH]cnc12,"InChI=1/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)",C6H6N4S,,,,,,UIJIQXGRFSPYQW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.057,200-062-0,50-71-5,Alloxan,"pyrimidine-2,4,5,6(1H,3H)-tetrone",O=C1NC(=O)C(=O)C(=O)N1,O=C1NC(=O)C(=O)C(=O)N1,"InChI=1/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)",C4H2N2O4,,,,,,HIMXGTXNXJYFGB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.060,200-065-7,50-79-3,"2,5-dichlorobenzoic acid","2,5-dichlorobenzoic acid",OC(=O)c1cc(Cl)ccc1Cl,OC(=O)c1cc(Cl)ccc1Cl,"InChI=1/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)",C7H4Cl2O2,,,,,,QVTQYSFCFOGITD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.064,200-069-9,50-86-2,4-acetamidosalicylic acid,4-acetamido-2-hydroxybenzoic acid,CC(=O)Nc1ccc(C(=O)O)c(O)c1,CC(=O)Nc1ccc(C(=O)O)c(O)c1,"InChI=1/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)",C9H9NO4,,,,,,YBTVSGCNBZPRBD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.065,200-070-4,50-89-5,Thymidine,thymidine,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)",C10H14N2O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15994,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.065,IQFYYKKMVGJFEH-XLPZGREQSA-N,,,,,,,,,,,
100.000.068,200-074-6,50-98-6,Ephedrine hydrochloride,2-(methylamino)-1-phenylpropan-1-ol hydrochloride,Cl.CN[C@@H](C)[C@H](O)c1ccccc1,Cl.CN[C@@H](C)[C@H](O)c1ccccc1,"InChI=1/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H",C10H15NO.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10058,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.068,BALXUFOVQVENIU-GNAZCLTHSA-N,,,,,,,,,,,
100.000.069,200-075-1,50-99-7,Glucose,D-glucose,O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO,O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-SLPGGIOYSA-N,,,,,,,,,,,
100.000.071,200-077-2,51-05-8,Procaine hydrochloride,2-(diethylamino)ethyl 4-aminobenzoate hydrochloride,Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1,Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1,"InChI=1/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H",C13H20N2O2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18943,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.071,HCBIBCJNVBAKAB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.073,200-079-3,51-12-7,Nialamide,N-benzyl-3-(2-isonicotinoylhydrazino)propanamide,O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2,O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2,"InChI=1/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)",C16H18N4O2,,,,,,NOIIUHRQUVNIDD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.074,200-080-9,51-15-0,2-hydroxyiminomethyl-1-methylpyridinium chloride,2-[(hydroxyimino)methyl]-1-methylpyridinium chloride,[Cl-].ON=Cc1cccc[n+]1C,[Cl-].ON=Cc1cccc[n+]1C,"InChI=1/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H",C7H9N2O.Cl,,,,,,HIGSLXSBYYMVKI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.076,200-083-5,51-18-3,Tretamine,"2,4,6-tris(aziridin-1-yl)-1,3,5-triazine",C1CN1c2nc(nc(n2)N3CC3)N4CC4,C1CN1c2nc(nc(n2)N3CC3)N4CC4,InChI=1/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2,C9H12N6,,,,,,IUCJMVBFZDHPDX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.084,200-091-9,51-35-4,L-4-hydroxyproline,4-hydroxy-L-proline,OC1CN[C@@H](C1)C(=O)O,OC1CN[C@@H](C1)C(=O)O,"InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)",C5H9NO3,,,,,,PMMYEEVYMWASQN-BKLSDQPFSA-N,,,,,,,,,,,
100.000.086,200-094-5,51-38-7,"Butyl 4-hydroxy-3,5-diiodobenzoate","butyl 4-hydroxy-3,5-diiodobenzoate",CCCCOC(=O)c1cc(I)c(O)c(I)c1,CCCCOC(=O)c1cc(I)c(O)c(I)c1,"InChI=1/C11H12I2O3/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,14H,2-4H2,1H3",C11H12I2O3,,,,,,AKPGOBAFPMFHET-UHFFFAOYSA-N,,,,,,,,,,,
100.002.151,202-365-3,94-81-5,MCPB,4-(4-chloro-2-methylphenoxy)butanoic acid,Cc1cc(Cl)ccc1OCCCC(=O)O,Cc1cc(Cl)ccc1OCCCC(=O)O,"InChI=1/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)",C11H13ClO3,,,,,,LLWADFLAOKUBDR-UHFFFAOYSA-N,Negative,,,,,,EA271051|EA271052|EA271053|EA271054|EA271055|EA271056|EA271058|EA271059|EA271060|EA271064,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD15|HCD30|HCD45|CID35,141.0112:158.9786|141.0114|141.011|141.0113|141.0111|141.0116|141.0112|141.0109|141.0111|158.9784:141.0111,Eawag
100.002.161,202-376-3,94-93-9,"a,a'-ethylenedinitrilodi-o-cresol","2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenol",Oc2ccccc2C=NCCN=Cc1ccccc1O,Oc2ccccc2C=NCCN=Cc1ccccc1O,"InChI=1/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2",C16H16N2O2,,,,,,VEUMANXWQDHAJV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.167,202-383-1,95-01-2,"2,4-dihydroxybenzaldehyde","2,4-dihydroxybenzaldehyde",Oc1ccc(C=O)c(O)c1,Oc1ccc(C=O)c(O)c1,"InChI=1/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H",C7H6O3,,,,,,IUNJCFABHJZSKB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.174,202-391-5,95-11-4,Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,bicyclo[2.2.1]hept-5-ene-2-carbonitrile,N#CC1CC2CC1C=C2,N#CC1CC2CC1C=C2,"InChI=1/C8H9N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2",C8H9N,,,,,,BMAXQTDMWYDIJX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.175,202-392-0,95-12-5,Bicyclo[2.2.1]hept-5-ene-2-methanol,bicyclo[2.2.1]hept-5-en-2-ylmethanol,OCC1CC2CC1C=C2,OCC1CC2CC1C=C2,"InChI=1/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2",C8H12O,,,,,,LUMNWCHHXDUKFI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.178,202-395-7,95-15-8,Benzo[b]thiophene,1-benzothiophene,c1ccc2sccc2c1,c1ccc2sccc2c1,InChI=1/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H,C8H6S,,,,,,FCEHBMOGCRZNNI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.182,202-399-9,95-21-6,2-methylbenzoxazole,"2-methyl-1,3-benzoxazole",Cc1oc2ccccc2n1,Cc1oc2ccccc2n1,"InChI=1/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3",C8H7NO,,,,,,DQSHFKPKFISSNM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.184,202-401-8,95-23-8,"5-amino-1,3-dihydro-2H-benzimidazol-2-one","5-amino-1,3-dihydro-2H-benzimidazol-2-one",Nc1ccc2NC(=O)Nc2c1,Nc1ccc2NC(=O)Nc2c1,"InChI=1/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)",C7H7N3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1949,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.184,BCXSVFBDMPSKPT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.192,202-410-7,95-32-9,2-(morpholinodithio)benzothiazole,"2-(morpholin-4-yldisulfanyl)-1,3-benzothiazole",C1CN(CCO1)SSc2nc3ccccc3s2,C1CN(CCO1)SSc2nc3ccccc3s2,"InChI=1/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2",C11H12N2OS3,,,,,,QRYFCNPYGUORTK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.193,202-411-2,95-33-0,N-cyclohexylbenzothiazole-2-sulfenamide,"N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine",C1CCC(CC1)NSc2nc3ccccc3s2,C1CCC(CC1)NSc2nc3ccccc3s2,"InChI=1/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2",C13H16N2S2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15070,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.193,DEQZTKGFXNUBJL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.194,202-412-8,95-35-2,"1,3-bis(benzothiazol-2-ylthiomethyl)urea","1,3-bis[(1,3-benzothiazol-2-ylsulfanyl)methyl]urea",O=C(NCSc1nc2ccccc2s1)NCSc3nc4ccccc4s3,O=C(NCSc1nc2ccccc2s1)NCSc3nc4ccccc4s3,"InChI=1/C17H14N4OS4/c22-15(18-9-23-16-20-11-5-1-3-7-13(11)25-16)19-10-24-17-21-12-6-2-4-8-14(12)26-17/h1-8H,9-10H2,(H2,18,19,22)",C17H14N4OS4,,,,,,WYHIYIVTCWNVCW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.198,202-417-5,95-41-0,2-hexylcyclopent-2-enone,2-hexylcyclopent-2-en-1-one,CCCCCCC1=CCCC1=O,CCCCCCC1=CCCC1=O,"InChI=1/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3",C11H18O,,,,,,VGECIEOJXLMWGO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.207,202-426-4,95-51-2,2-chloroaniline,2-chloroaniline,Nc1ccccc1Cl,Nc1ccccc1Cl,"InChI=1/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",C6H6ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13785,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.207,AKCRQHGQIJBRMN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.212,202-432-7,95-56-7,2-bromophenol,2-bromophenol,Oc1ccccc1Br,Oc1ccccc1Br,"InChI=1/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5BrO,,,,,,VADKRMSMGWJZCF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.218,202-439-5,95-65-8,"3,4-xylenol","3,4-dimethylphenol",Cc1ccc(O)cc1C,Cc1ccc(O)cc1C,"InChI=1/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",C8H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11177,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.218,YCOXTKKNXUZSKD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.220,202-441-6,95-69-2,4-chloro-o-toluidine,4-chloro-2-methylaniline,Cc1cc(Cl)ccc1N,Cc1cc(Cl)ccc1N,"InChI=1/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3",C7H8ClN,,,,,,CXNVOWPRHWWCQR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.221,202-442-1,95-70-5,2-methyl-p-phenylenediamine,"2-methylbenzene-1,4-diamine",Cc1cc(N)ccc1N,Cc1cc(N)ccc1N,"InChI=1/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3",C7H10N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18398,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.221,OBCSAIDCZQSFQH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.226,202-447-9,95-75-0,"3,4-dichlorotoluene","1,2-dichloro-4-methylbenzene",Cc1ccc(Cl)c(Cl)c1,Cc1ccc(Cl)c(Cl)c1,"InChI=1/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3",C7H6Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13544,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.226,WYUIWKFIFOJVKW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.228,202-450-5,95-77-2,"3,4-dichlorophenol","3,4-dichlorophenol",Oc1ccc(Cl)c(Cl)c1,Oc1ccc(Cl)c(Cl)c1,"InChI=1/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H",C6H4Cl2O,,,,,,WDNBURPWRNALGP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.106,200-115-8,51-67-2,4-(2-aminoethyl)phenol,4-(2-aminoethyl)phenol,NCCc1ccc(O)cc1,NCCc1ccc(O)cc1,"InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",C8H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16729,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.106,DZGWFCGJZKJUFP-UHFFFAOYSA-N,Positive,AU510501|AU510502|AU510503,[M+H]+,CID10|CID20|CID30,121.0648:122.0682:138.0912|121.0645:122.0684|121.0647,Athens_Univ,,,,,
100.000.107,200-116-3,51-68-3,Meclofenoxate,2-(dimethylamino)ethyl (4-chlorophenoxy)acetate,CN(C)CCOC(=O)COc1ccc(Cl)cc1,CN(C)CCOC(=O)COc1ccc(Cl)cc1,"InChI=1/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3",C12H16ClNO3,,,,,,XZTYGFHCIAKPGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.111,200-121-0,51-77-4,Gefarnate,"3,7-dimethylocta-2,6-dien-1-yl 5,9,13-trimethyltetradeca-4,8,12-trienoate",C/C(C)=C\\CCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CC\\C=C(/C)C,C/C(C)=C\CCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CC\C=C(/C)C,"InChI=1/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3",C27H44O2,,,,,,ZPACYDRSPFRDHO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.117,200-127-3,51-83-2,Carbachol,"2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride",[Cl-].C[N+](C)(C)CCOC(=O)N,[Cl-].C[N+](C)(C)CCOC(=O)N,"InChI=1/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H",C6H15N2O2.Cl,,,,,,AIXAANGOTKPUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.468,200-514-7,61-72-3,Cloxacillin,"6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O,Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O,"InChI=1/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)",C19H18ClN3O5S,,,,,,LQOLIRLGBULYKD-JKIFEVAISA-N,Positive/Negative,mzcloud:2698,[M+H]+;[M+Na]+,HCD_Averaged,277.03744:160.04269:114.03720:178.0054:206.03672:75.02292,HighChem,mzcloud:2698,[M-H]-,HCD_Averaged,390.0685:293.0157:257.0392:74.9910,HighChem
100.000.472,200-518-9,61-78-9,4-aminohippuric acid,N-(4-aminobenzoyl)glycine,Nc1ccc(cc1)C(=O)NCC(=O)O,Nc1ccc(cc1)C(=O)NCC(=O)O,"InChI=1/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)",C9H10N2O3,,,,,,HSMNQINEKMPTIC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.476,200-523-6,61-94-9,Arecoline hydrochloride,"methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride",Cl.COC(=O)C1=CCCN(C)C1,Cl.COC(=O)C1=CCCN(C)C1,"InChI=1/C8H13NO2.ClH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H",C8H13NO2.ClH,,,,,,LQSWCSYIDIBGRR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.486,200-534-6,62-46-4,"5-(1,2-dithiolan-3-yl)valeric acid","5-(1,2-dithiolan-3-yl)pentanoic acid",OC(=O)CCCCC1CCSS1,OC(=O)CCCCC1CCSS1,"InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)",C8H14O2S2,,,,,,AGBQKNBQESQNJD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.489,200-537-2,62-51-1,Methacholine chloride,"2-acetoxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CC(C[N+](C)(C)C)OC(=O)C,[Cl-].CC(C[N+](C)(C)C)OC(=O)C,"InChI=1/C8H18NO2.ClH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1",C8H18NO2.Cl,,,,,,JHPHVAVFUYTVCL-UHFFFAOYSA-M,,,,,,,,,,,
100.000.491,200-539-3,62-53-3,Aniline,aniline,Nc1ccccc1,Nc1ccccc1,"InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",C6H7N,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15333,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.491,PAYRUJLWNCNPSJ-UHFFFAOYSA-N,Positive,SM806006,[M+H]+,HCD35,94.0651:53.0388:105.0447,CASMI_2016,,,,,
100.000.496,200-545-6,62-59-9,Cevadine,"4,12,14,16,17,20-hexahydroxy-4,9-epoxycevan-3-yl 2-methylbut-2-enoate",CC(=CC)C(=O)O[C@H]5CC[C@@]7(C)[C@@H]6CC[C@@H]2[C@@]7(C[C@@]3(O)[C@@H]4CN1C[C@@H](C)CC[C@H]1[C@@](C)(O)[C@@]4(O)[C@@H](O)C[C@@]23O)O[C@]56O,CC(=CC)C(=O)O[C@H]5CC[C@@]7(C)[C@@H]6CC[C@@H]2[C@@]7(C[C@@]3(O)[C@@H]4CN1C[C@@H](C)CC[C@H]1[C@@](C)(O)[C@@]4(O)[C@@H](O)C[C@@]23O)O[C@]56O,"InChI=1/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3",C32H49NO9,,,,,,DBUCFOVFALNEOO-LTHQPTFBSA-N,,,,,,,,,,,
100.000.499,200-548-2,62-74-8,Sodium fluoroacetate,sodium fluoroacetate,[Na+].[O-]C(=O)CF,[Na+].[O-]C(=O)CF,"InChI=1/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",C2H3FO2.Na,,,,,,JGFYQVQAXANWJU-UHFFFAOYSA-M,,,,,,,,,,,
100.000.502,200-551-9,62-90-8,17-ß-hydroxyestr-4-en-3-one 17-(3-phenylpropionate),3-oxoestr-4-en-17-yl 3-phenylpropanoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5,"InChI=1/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3",C27H34O3,,,,,,UBWXUGDQUBIEIZ-QNTYDACNSA-N,,,,,,,,,,,
100.000.506,200-556-6,63-37-6,Cytidine 3'-(dihydrogen phosphate),4-amino-1-(5-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)O)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)O)C(O)C2O,"InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)",C9H14N3O8P,,,,,,IERHLVCPSMICTF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.510,200-560-8,63-45-6,Primaquine bis(phosphate),"N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine bis(phosphate)",OP(O)(=O)O.OP(O)(=O)O.CC(CCCN)Nc1cc(cc2cccnc12)OC,OP(O)(=O)O.OP(O)(=O)O.CC(CCCN)Nc1cc(cc2cccnc12)OC,"InChI=1/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)",C15H21N3O.2H3O4P,,,,,,GJOHLWZHWQUKAU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.230,202-452-6,95-79-4,5-chloro-o-toluidine,5-chloro-2-methylaniline,Cc1ccc(Cl)cc1N,Cc1ccc(Cl)cc1N,"InChI=1/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3",C7H8ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10761,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.230,WRZOMWDJOLIVQP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.237,202-459-4,95-86-3,"2,4-diaminophenol","2,4-diaminophenol",Nc1ccc(O)c(N)c1,Nc1ccc(O)c(N)c1,"InChI=1/C6H8N2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,7-8H2",C6H8N2O,,,,,,XIWMTQIUUWJNRP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.238,202-461-5,95-87-4,"2,5-xylenol","2,5-dimethylphenol",Cc1ccc(C)c(O)c1,Cc1ccc(C)c(O)c1,"InChI=1/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3",C8H10O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7449,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.238,NKTOLZVEWDHZMU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.250,202-474-6,96-07-1,2-isopropylcyclohexan-1-ol,2-isopropylcyclohexanol,CC(C)C1CCCCC1O,CC(C)C1CCCCC1O,"InChI=1/C9H18O/c1-7(2)8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3",C9H18O,,,,,,IXVGVVQGNQZQGD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.251,202-475-1,96-08-2,1-methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane,1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane,CC1(CO1)C2CCC3(C)OC3C2,CC1(CO1)C2CCC3(C)OC3C2,"InChI=1/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3",C10H16O2,,,,,,RBHIUNHSNSQJNG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.252,202-476-7,96-09-3,(epoxyethyl)benzene,2-phenyloxirane,C1OC1c2ccccc2,C1OC1c2ccccc2,"InChI=1/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2",C8H8O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14585,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.252,AWMVMTVKBNGEAK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.358,202-592-8,97-59-6,Allantoin,"1-(2,5-dioxoimidazolidin-4-yl)urea",NC(=O)NC1NC(=O)NC1=O,NC(=O)NC1NC(=O)NC1=O,"InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)",C4H6N4O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13641,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.358,POJWUDADGALRAB-UHFFFAOYSA-N,Positive,ML002501,[M+H]+,HCD50,99.0189:100.0266,MetaboLights,,,,,
100.002.361,202-595-4,97-62-1,Ethyl isobutyrate,ethyl 2-methylpropanoate,CCOC(=O)C(C)C,CCOC(=O)C(C)C,"InChI=1/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3",C6H12O2,,,,,,WDAXFOBOLVPGLV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.362,202-597-5,97-63-2,Ethyl methacrylate,ethyl methacrylate,CCOC(=O)C(=C)C,CCOC(=O)C(=C)C,"InChI=1/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3",C6H10O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13871,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.362,SUPCQIBBMFXVTL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.363,202-598-0,97-64-3,Ethyl lactate,ethyl 2-hydroxypropanoate,CCOC(=O)C(C)O,CCOC(=O)C(C)O,"InChI=1/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3",C5H10O3,,,,,,LZCLXQDLBQLTDK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.369,202-605-7,97-74-5,Tetramethylthiuram monosulphide,"N,N,N',N'-tetramethyldicarbonotrithioic diamide",CN(C)C(=S)SC(=S)N(C)C,CN(C)C(=S)SC(=S)N(C)C,InChI=1/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3,C6H12N2S3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10313,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.369,REQPQFUJGGOFQL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.376,202-613-0,97-86-9,Isobutyl methacrylate,isobutyl methacrylate,CC(C)COC(=O)C(=C)C,CC(C)COC(=O)C(=C)C,"InChI=1/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3",C8H14O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14969,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.376,RUMACXVDVNRZJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.384,202-621-4,97-95-0,2-ethylbutan-1-ol,2-ethylbutan-1-ol,CCC(CC)CO,CCC(CC)CO,"InChI=1/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3",C6H14O,,,,,,TZYRSLHNPKPEFV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.387,202-625-6,97-99-4,Tetrahydrofurfuryl alcohol,tetrahydrofuran-2-ylmethanol,OCC1CCCO1,OCC1CCCO1,"InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2",C5H10O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13371,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.387,BSYVTEYKTMYBMK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.388,202-626-1,98-00-0,Furfuryl alcohol,2-furylmethanol,OCc1occc1,OCc1occc1,"InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",C5H6O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14780,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.388,XPFVYQJUAUNWIW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.389,202-627-7,98-01-1,2-furaldehyde,2-furaldehyde,O=Cc1occc1,O=Cc1occc1,InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H,C5H4O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14883,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.389,HYBBIBNJHNGZAN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.393,202-631-9,98-05-5,Phenylarsonic acid,phenylarsonic acid,O[As](=O)(O)c1ccccc1,O[As](=O)(O)c1ccccc1,"InChI=1/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)",C6H7AsO3,,,,,,LVKZSFMYNWRPJX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.394,202-632-4,98-06-6,tert-butylbenzene,tert-butylbenzene,CC(C)(C)c1ccccc1,CC(C)(C)c1ccccc1,"InChI=1/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14,,,,,,YTZKOQUCBOVLHL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.400,202-639-2,98-12-4,Trichloro(cyclohexyl)silane,trichloro(cyclohexyl)silane,Cl[Si](Cl)(Cl)C1CCCCC1,Cl[Si](Cl)(Cl)C1CCCCC1,"InChI=1/C6H11Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2",C6H11Cl3Si,,,,,,SIPHWXREAZVVNS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.403,202-642-9,98-15-7,"3-chloro-a,a,a-trifluorotoluene",1-chloro-3-(trifluoromethyl)benzene,FC(F)(F)c1cccc(Cl)c1,FC(F)(F)c1cccc(Cl)c1,"InChI=1/C7H4ClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H",C7H4ClF3,,,,,,YTCGOUNVIAWCMG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.407,202-647-6,98-19-1,5-tert-butyl-m-xylene,"1-tert-butyl-3,5-dimethylbenzene",Cc1cc(C)cc(c1)C(C)(C)C,Cc1cc(C)cc(c1)C(C)(C)C,"InChI=1/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3",C12H18,,,,,,FZSPYHREEHYLCB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.127,200-138-3,52-31-3,Cyclobarbital,"5-cyclohex-1-en-1-yl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2,CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2,"InChI=1/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)",C12H16N2O3,,,,,,WTYGAUXICFETTC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.130,200-142-5,52-49-3,Trihexyphenidyl hydrochloride,1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride,Cl.OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3,Cl.OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3,"InChI=1/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H",C20H31NO.ClH,,,,,,QDWJJTJNXAKQKD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.135,200-147-2,52-66-4,DL-ß-mercaptovaline,3-sulfanylvaline,CC(C)(S)C(N)C(=O)O,CC(C)(S)C(N)C(=O)O,"InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)",C5H11NO2S,,,,,,VVNCNSJFMMFHPL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.140,200-153-5,52-78-8,Norethandrolone,17-ethyl-17-hydroxyestr-4-en-3-one,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3",C20H30O2,,,,,,ZDHCJEIGTNNEMY-XGXHKTLJSA-N,,,,,,,,,,,
100.000.145,200-158-2,52-90-4,L-cysteine,L-cysteine,N[C@@H](CS)C(=O)O,N[C@@H](CS)C(=O)O,"InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)",C3H7NO2S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12475,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.145,XUJNEKJLAYXESH-REOHCLBHSA-N,,,,,,,,,,,
100.000.148,200-161-9,53-05-4,"3a,17,21-trihydroxy-5-ß-pregnane-11,20-dione","3,17,21-trihydroxypregnane-11,20-dione",CC12CCC(O)CC1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23,CC12CCC(O)CC1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23,"InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3",C21H32O5,,,,,,SYGWGHVTLUBCEM-UHFFFAOYSA-N,Positive,AU121401|AU121402|AU121403|AU121404,[M+H]+,CID10|CID20|CID30|CID40,347.2253:365.2364:329.2142|329.2137:347.2256:149.0233|329.2175:149.1338:293.1867|149.0262,Athens_Univ,,,,,
100.000.150,200-164-5,53-16-7,Estrone,"3-hydroxyestra-1,3,5(10)-trien-17-one",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O,"InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3",C18H22O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1910,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.150,DNXHEGUUPJUMQT-CBZIJGRNSA-N,Positive,SM871901,[M+H]+,HCD35,271.1694:253.1588:199.1119,CASMI_2016,,,,,
100.000.155,200-169-2,53-33-8,Paramethasone,"6-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3",C22H29FO5,,,,,,MKPDWECBUAZOHP-AFYJWTTESA-N,,,,,,,,,,,
100.000.157,200-171-3,53-36-1,Methylprednisolone 21-acetate,"11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3",C24H32O6,,,,,,PLBHSZGDDKCEHR-LFYFAGGJSA-N,,,,,,,,,,,
100.000.161,200-176-0,53-46-3,Methanthelinium bromide,"N,N-diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]ethanaminium bromide",[Br-].CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13,[Br-].CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13,"InChI=1/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1",C21H26NO3.Br,,,,,,PQMWYJDJHJQZDE-UHFFFAOYSA-M,,,,,,,,,,,
100.000.162,200-177-6,53-57-6,Dihydronicotinamide-adenine dinucleotide phosphate,-,NC(=O)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(OP(=O)(O)O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,NC(=O)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(OP(=O)(O)O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,"InChI=1/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)",C21H30N7O17P3,,,,,,ACFIXJIJDZMPPO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.168,200-183-9,53-83-8,6-thioinosine 5'-monophosphate,9-(5-O-phosphonopentofuranosyl)-9H-purine-6-thiol,OC1C(O)C(OC1COP(=O)(O)O)n2cnc3c(S)ncnc23,OC1C(O)C(OC1COP(=O)(O)O)n2cnc3c(S)ncnc23,"InChI=1/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)",C10H13N4O7PS,,,,,,ZKRFOXLVOKTUTA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.174,200-190-7,54-04-6,"3,4,5-trimethoxyphenethylamine","2-(3,4,5-trimethoxyphenyl)ethanamine",COc1cc(CCN)cc(OC)c1OC,COc1cc(CCN)cc(OC)c1OC,"InChI=1/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3",C11H17NO3,,,,,,RHCSKNNOAZULRK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.178,200-194-9,54-12-6,DL-tryptophan,tryptophan,NC(Cc1c[nH]c2ccccc12)C(=O)O,NC(Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",C11H12N2O2,,,,,,QIVBCDIJIAJPQS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.410,202-650-2,98-26-0,"2,2'-thiobis[4-tert-pentylphenol]","2,2'-sulfanediylbis[4-(1,1-dimethylpropyl)phenol]",CCC(C)(C)c1ccc(O)c(Sc2cc(ccc2O)C(C)(C)CC)c1,CCC(C)(C)c1ccc(O)c(Sc2cc(ccc2O)C(C)(C)CC)c1,"InChI=1/C22H30O2S/c1-7-21(3,4)15-9-11-17(23)19(13-15)25-20-14-16(10-12-18(20)24)22(5,6)8-2/h9-14,23-24H,7-8H2,1-6H3",C22H30O2S,,,,,,JEBLAEFSCWNZMT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.253,202-477-2,96-10-6,Diethylaluminium chloride,chloro(diethyl)aluminum,CC[Al](Cl)CC,CC[Al](Cl)CC,"InChI=1/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1/rC4H10AlCl/c1-3-5(6)4-2/h3-4H2,1-2H3",C4H10AlCl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13917,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.253,YNLAOSYQHBDIKW-UHFFFAOYSA-M,,,,,,,,,,,
100.002.265,202-490-3,96-22-0,Pentan-3-one,pentan-3-one,CCC(=O)CC,CCC(=O)CC,"InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3",C5H10O,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/2213,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.265,FDPIMTJIUBPUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.268,202-494-5,96-26-4,"1,3-dihydroxyacetone","1,3-dihydroxyacetone",OCC(=O)CO,OCC(=O)CO,"InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",C3H6O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1158,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.268,RXKJFZQQPQGTFL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.278,202-504-8,96-41-3,Cyclopentanol,cyclopentanol,OC1CCCC1,OC1CCCC1,"InChI=1/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2",C5H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15902,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.278,XCIXKGXIYUWCLL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.284,202-511-6,96-50-4,Aminothiazole,"1,3-thiazol-2-amine",Nc1nccs1,Nc1nccs1,"InChI=1/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",C3H4N2S,,,,,,RAIPHJJURHTUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.288,202-515-8,96-56-0,2-(trimethylammonio)octadecanoate,2-(trimethylammonio)octadecanoate,CCCCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C,CCCCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C,"InChI=1/C21H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21(23)24)22(2,3)4/h20H,5-19H2,1-4H3",C21H43NO2,,,,,,LUWSJWIDHMACFR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.294,202-522-6,96-66-2,"6,6'-di-tert-butyl-4,4'-thiodi-o-cresol","4,4'-sulfanediylbis(2-tert-butyl-6-methylphenol)",Cc1cc(Sc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C,Cc1cc(Sc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C22H30O2S/c1-13-9-15(11-17(19(13)23)21(3,4)5)25-16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3",C22H30O2S,,,,,,YFHKLSPMRRWLKI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.297,202-525-2,96-69-5,"6,6'-di-tert-butyl-4,4'-thiodi-m-cresol","4,4'-sulfanediylbis(2-tert-butyl-5-methylphenol)",Cc1cc(O)c(cc1Sc2cc(c(O)cc2C)C(C)(C)C)C(C)(C)C,Cc1cc(O)c(cc1Sc2cc(c(O)cc2C)C(C)(C)C)C(C)(C)C,"InChI=1/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3",C22H30O2S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16037,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.297,HXIQYSLFEXIOAV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.302,202-531-5,96-75-3,2-amino-5-nitrobenzenesulphonic acid,2-amino-5-nitrobenzenesulfonic acid,Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C6H6N2O5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,7H2,(H,11,12,13)",C6H6N2O5S,,,,,,LTASFWDWBYFZQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.303,202-532-0,96-76-4,"2,4-di-tert-butylphenol","2,4-di-tert-butylphenol",CC(C)(C)c1ccc(O)c(c1)C(C)(C)C,CC(C)(C)c1ccc(O)c(c1)C(C)(C)C,"InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3",C14H22O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14828,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.303,ICKWICRCANNIBI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.305,202-534-1,96-78-6,5-acetamido-2-aminobenzenesulphonic acid,5-acetamido-2-aminobenzenesulfonic acid,CC(=O)Nc1ccc(N)c(c1)S(=O)(=O)O,CC(=O)Nc1ccc(N)c(c1)S(=O)(=O)O,"InChI=1/C8H10N2O4S/c1-5(11)10-6-2-3-7(9)8(4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)",C8H10N2O4S,,,,,,PHRVJZNHPVJYOM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.308,202-537-8,96-81-1,N-acetylvaline,N-acetylvaline,CC(C)C(NC(=O)C)C(=O)O,CC(C)C(NC(=O)C)C(=O)O,"InChI=1/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)",C7H13NO3,,,,,,IHYJTAOFMMMOPX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.316,202-546-7,96-93-5,3-amino-4-hydroxy-5-nitrobenzenesulphonic acid,3-amino-4-hydroxy-5-nitrobenzenesulfonic acid,Nc1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)O,Nc1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)",C6H6N2O6S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8641,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.316,RHPXYZMDLOJTFF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.322,202-553-5,97-02-9,"2,4-dinitroaniline","2,4-dinitroaniline",Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2",C6H5N3O4,,,,,,LXQOQPGNCGEELI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.325,202-556-1,97-06-3,2-nitro-p-toluenesulphonic acid,4-methyl-2-nitrobenzenesulfonic acid,Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)O,Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H7NO5S/c1-5-2-3-7(14(11,12)13)6(4-5)8(9)10/h2-4H,1H3,(H,11,12,13)",C7H7NO5S,,,,,,MXGITBULPTZNHM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.337,202-569-2,97-26-7,"[4-[(4,6-diamino-m-tolyl)imino]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-{4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-ylidene}-N-methylmethanaminium chloride",[Cl-].Cc1cc(N=C2C=CC(=[N+](C)C)C=C2)c(N)cc1N,[Cl-].Cc1cc(N=C2C=CC(=[N+](C)C)C=C2)c(N)cc1N,"InChI=1/C15H18N4.ClH/c1-10-8-15(14(17)9-13(10)16)18-11-4-6-12(7-5-11)19(2)3;/h4-9H,1-3H3,(H3,16,17);1H",C15H19N4.Cl,,,,,,SRAVWPVICTXESG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.179,200-195-4,54-16-0,5-hydroxyindol-3-ylacetic acid,(5-hydroxy-1H-indol-3-yl)acetic acid,OC(=O)Cc1c[nH]c2ccc(O)cc12,OC(=O)Cc1c[nH]c2ccc(O)cc12,"InChI=1/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)",C10H9NO3,,,,,,DUUGKQCEGZLZNO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.180,200-197-5,54-20-6,5-(trifluoromethyl)uracil,"5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione",FC(F)(F)C1=CNC(=O)NC1=O,FC(F)(F)C1=CNC(=O)NC1=O,"InChI=1/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)",C5H3F3N2O2,,,,,,LMNPKIOZMGYQIU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.183,200-201-5,54-28-4,"[2R[2R*(4R*,8R*)]]-3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol","2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1,"InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3",C28H48O2,,,,,,QUEDXNHFTDJVIY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.188,200-206-2,54-36-4,Metyrapone,"2-methyl-1,2-dipyridin-3-ylpropan-1-one",CC(C)(C(=O)c1cccnc1)c2cccnc2,CC(C)(C(=O)c1cccnc1)c2cccnc2,"InChI=1/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3",C14H14N2O,,,,,,FJLBFSROUSIWMA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.196,200-215-1,54-86-4,Sodium nicotinate,sodium nicotinate,[Na+].[O-]C(=O)c1cccnc1,[Na+].[O-]C(=O)c1cccnc1,"InChI=1/C6H5NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1",C6H5NO2.Na,,,,,,KFLRWGSAMLBHBV-UHFFFAOYSA-M,,,,,,,,,,,
100.000.206,200-226-1,55-18-5,Diethylnitrosoamine,N-ethyl-N-nitrosoethanamine,CCN(CC)N=O,CCN(CC)N=O,"InChI=1/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3",C4H10N2O,,,,,,WBNQDOYYEUMPFS-UHFFFAOYSA-N,Positive,EQ345201|EQ345202|EQ345203|EQ345204|EQ345205|EQ345206,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,103.0866:75.0553:57.0447|103.0866:75.0553:57.0447|103.0865:75.0552:57.0447|75.0553:103.0866:57.0448|75.0553:103.0866:57.0447|75.0553:103.0866:57.0448,Eawag,,,,,
100.000.207,200-227-7,55-21-0,Benzamide,benzamide,NC(=O)c1ccccc1,NC(=O)c1ccccc1,"InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)",C7H7NO,,,,,,KXDAEFPNCMNJSK-UHFFFAOYSA-N,Positive,SM808001,[M+H]+,HCD35,122.06:105.0335:79.0542,CASMI_2016,,,,,
100.000.208,200-228-2,55-22-1,Isonicotinic acid,isonicotinic acid,OC(=O)c1ccncc1,OC(=O)c1ccncc1,"InChI=1/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)",C6H5NO2,,,,,,TWBYWOBDOCUKOW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.213,200-234-5,55-43-6,Dibenzyl(2-chloroethyl)ammonium chloride,"N,N-dibenzyl-2-chloroethanaminium chloride",[Cl-].ClCC[NH+](Cc1ccccc1)Cc2ccccc2,[Cl-].ClCC[NH+](Cc1ccccc1)Cc2ccccc2,"InChI=1/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H",C16H18ClN.ClH,,,,,,LZXCEBPGNFLHEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.215,200-236-6,55-52-7,Pheniprazine,(1-methyl-2-phenylethyl)hydrazine hydrochloride,Cl.CC(Cc1ccccc1)NN,Cl.CC(Cc1ccccc1)NN,"InChI=1/C9H14N2.ClH/c1-8(11-10)7-9-5-3-2-4-6-9;/h2-6,8,11H,7,10H2,1H3;1H",C9H14N2,,,,,,HXCTUSBYMZQLKB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.223,200-245-5,55-81-2,p-methoxyphenethylamine,2-(4-methoxyphenyl)ethanamine,COc1ccc(CCN)cc1,COc1ccc(CCN)cc1,"InChI=1/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3",C9H13NO,,,,,,LTPVSOCPYWDIFU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.226,200-248-1,55-94-7,Suxamethonium bromide,"2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium) dibromide",[Br-].[Br-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,[Br-].[Br-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,"InChI=1/C14H30N2O4.2BrH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",C14H30N2O4.2Br,,,,,,HKDOIORVQFUBKO-UHFFFAOYSA-L,,,,,,,,,,,
100.000.234,200-257-0,56-10-0,S-2-aminoethylthiouronium bromide hydrobromide,amino[(1-aminoethyl)sulfanyl]methaniminium bromide hydrobromide,Br.[Br-].C[C@@H](N)SC(=[NH2+])N,Br.[Br-].C[C@@H](N)SC(=[NH2+])N,"InChI=1/C3H9N3S.2BrH/c1-2(4)7-3(5)6;;/h2H,4H2,1H3,(H3,5,6);2*1H",C3H9N3S.2BrH,,,,,,PITXALBMXWIBMG-JIZZDEOASA-N,,,,,,,,,,,
100.000.237,200-260-7,56-17-7,"2,2'-dithiodi(ethylammonium) dichloride","2,2'-disulfanediyldiethanamine",NCCSSCCN,NCCSSCCN,InChI=1/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2,C4H12N2S2.2ClH,,,,,,APQPRKLAWCIJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.240,200-263-3,56-25-7,"(1R,2S,3R,6S)-1,2-dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride","3,3'-(oxydicarbonyl)bis(2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid)",C[C@]1([C@H]2CC[C@H](O2)[C@]1(C)C(=O)OC(=O)[C@@]3(C)[C@@H]4CC[C@@H](O4)[C@@]3(C)C(=O)O)C(=O)O,C[C@]1([C@H]2CC[C@H](O2)[C@]1(C)C(=O)OC(=O)[C@@]3(C)[C@@H]4CC[C@@H](O4)[C@@]3(C)C(=O)O)C(=O)O,"InChI=1/C20H26O9/c1-17(13(21)22)9-5-7-11(27-9)19(17,3)15(25)29-16(26)20(4)12-8-6-10(28-12)18(20,2)14(23)24/h9-12H,5-8H2,1-4H3,(H,21,22)(H,23,24)",C10H12O4,,,,,,GCOOLDWPZMYFFO-IHWXMAEGSA-N,,,,,,,,,,,
100.002.340,202-572-9,97-32-5,4-methoxy-3-nitro-N-phenylbenzamide,4-methoxy-3-nitro-N-phenylbenzamide,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2,"InChI=1/C14H12N2O4/c1-20-13-8-7-10(9-12(13)16(18)19)14(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)",C14H12N2O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17472,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.340,YKOCPBMVMBUTAX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.345,202-578-1,97-40-5,4-(benzoylamino)-2-methoxy-5-methylbenzenediazonium chloride,4-(benzoylamino)-2-methoxy-5-methylbenzenediazonium chloride,[Cl-].COc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N,[Cl-].COc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N,"InChI=1/C15H13N3O2.ClH/c1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;/h3-9H,1-2H3;1H",C15H14N3O2.Cl,,,,,,ITVGNDNRQIXCLH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.352,202-586-5,97-50-7,"5-chloro-2,4-dimethoxyaniline","5-chloro-2,4-dimethoxyaniline",COc1cc(OC)c(Cl)cc1N,COc1cc(OC)c(Cl)cc1N,"InChI=1/C8H10ClNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3",C8H10ClNO2,,,,,,OLCMNCWEUMBNIS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.843,200-926-7,76-02-8,Trichloroacetyl chloride,trichloroacetyl chloride,ClC(=O)C(Cl)(Cl)Cl,ClC(=O)C(Cl)(Cl)Cl,"InChI=1/C2Cl4O/c3-1(7)2(4,5)6",C2Cl4O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11166,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.843,PVFOMCVHYWHZJE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.844,200-927-2,76-03-9,Trichloroacetic acid,trichloroacetic acid,OC(=O)C(Cl)(Cl)Cl,OC(=O)C(Cl)(Cl)Cl,"InChI=1/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)",C2HCl3O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10519,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.844,YNJBWRMUSHSURL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.845,200-928-8,76-04-0,Chlorodifluoroacetic acid,chloro(difluoro)acetic acid,OC(=O)C(F)(F)Cl,OC(=O)C(F)(F)Cl,"InChI=1/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)",C2HClF2O2,,,,,,OAWAZQITIZDJRB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.847,200-930-9,76-06-2,Trichloronitromethane,trichloro(nitro)methane,[O-][N+](=O)C(Cl)(Cl)Cl,[O-][N+](=O)C(Cl)(Cl)Cl,"InChI=1/CCl3NO2/c2-1(3,4)5(6)7",CCl3NO2,,,,,,LFHISGNCFUNFFM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.848,200-931-4,76-08-4,"1,1,1-tribromo-2-methylpropan-2-ol","1,1,1-tribromo-2-methylpropan-2-ol",CC(C)(O)C(Br)(Br)Br,CC(C)(O)C(Br)(Br)Br,"InChI=1/C4H7Br3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",C4H7Br3O,,,,,,JUGRTVJQTFZHOM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.849,200-933-5,76-09-5,Pinacol,pinacol,CC(C)(O)C(C)(C)O,CC(C)(O)C(C)(C)O,"InChI=1/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3",C6H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18466,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.849,IVDFJHOHABJVEH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.855,200-939-8,76-16-4,Perfluoroethane,hexafluoroethane,FC(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)F,"InChI=1/C2F6/c3-1(4,5)2(6,7)8",C2F6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10719,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.855,WMIYKQLTONQJES-UHFFFAOYSA-N,,,,,,,,,,,
100.000.858,200-942-4,76-20-0,"2,2-bis(ethylsulphonyl)butane","2,2-bis(ethylsulfonyl)butane",CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC,CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC,"InChI=1/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3",C8H18O4S2,,,,,,LKACJLUUJRMGFK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.859,200-944-5,76-21-1,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-oic acid","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C9H2F16O2/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27/h1H,(H,26,27)",C9H2F16O2,,,,,,RARQGXBOCXOJPM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.860,200-945-0,76-22-2,Bornan-2-one,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC1(C)C(=O)C2,CC1(C)C2CCC1(C)C(=O)C2,"InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",C10H16O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5625,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.860,DSSYKIVIOFKYAU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.861,200-946-6,76-23-3,Tetrabarbital,"5-ethyl-5-(1-ethylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCCC(CC)C1(CC)C(=O)NC(=O)NC1=O,CCCC(CC)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1/C12H20N2O3/c1-4-7-8(5-2)12(6-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)",C12H20N2O3,,,,,,ZLUNGGZJSQDFPH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.866,200-951-3,76-30-2,Tetrahydroxysuccinic acid,tetrahydroxysuccinic acid,OC(=O)C(O)(O)C(O)(O)C(=O)O,OC(=O)C(O)(O)C(O)(O)C(=O)O,"InChI=1/C4H6O8/c5-1(6)3(9,10)4(11,12)2(7)8/h9-12H,(H,5,6)(H,7,8)",C4H6O8,,,,,,XHWHHMNORMIBBB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.868,200-953-4,76-36-8,"2,2,3-trichlorobutyraldehyde","2,2,3-trichlorobutanal",CC(Cl)C(Cl)(Cl)C=O,CC(Cl)C(Cl)(Cl)C=O,"InChI=1/C4H5Cl3O/c1-3(5)4(6,7)2-8/h2-3H,1H3",C4H5Cl3O,,,,,,OXVISHZELPRKFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.872,200-958-1,76-40-4,"2,2,3-trichlorobutane-1,1-diol","2,2,3-trichlorobutane-1,1-diol",CC(Cl)C(Cl)(Cl)C(O)O,CC(Cl)C(Cl)(Cl)C(O)O,"InChI=1/C4H7Cl3O2/c1-2(5)4(6,7)3(8)9/h2-3,8-9H,1H3",C4H7Cl3O2,,,,,,QVYLNOUOIXTUGA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.873,200-959-7,76-41-5,Oxymorphone,"3,14-dihydroxy-17-methyl-4,5-epoxymorphinan-6-one",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35,"InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3",C17H19NO4,,,,,,UQCNKQCJZOAFTQ-ISWURRPUSA-N,,,,,,,,,,,
100.000.880,200-967-0,76-51-7,"5-ethyl-5,10-dihydro-10,10-diphenylphenosilazine","5-ethyl-10,10-diphenyl-5,10-dihydrodibenzo[b,e][1,4]azasiline",CCN1c2ccccc2[Si](c3ccccc3)(c4ccccc4)c5ccccc15,CCN1c2ccccc2[Si](c3ccccc3)(c4ccccc4)c5ccccc15,"InChI=1/C26H23NSi/c1-2-27-23-17-9-11-19-25(23)28(21-13-5-3-6-14-21,22-15-7-4-8-16-22)26-20-12-10-18-24(26)27/h3-20H,2H2,1H3",C26H23NSi,,,,,,GAYTWVJPIWOSDS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.251,200-275-9,56-47-3,Desoxycortone acetate,"3,20-dioxopregn-4-en-21-yl acetate",CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3",C23H32O4,,,,,,VPGRYOFKCNULNK-ACXQXYJUSA-N,,,,,,,,,,,
100.000.253,200-278-5,56-53-1,Diethylstilbestrol,"4,4'-hex-3-ene-3,4-diyldiphenol",Oc1ccc(cc1)C(CC)=C(CC)c2ccc(O)cc2,Oc1ccc(cc1)C(CC)=C(CC)c2ccc(O)cc2,"InChI=1/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3",C18H20O2,,,,,,RGLYKWWBQGJZGM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.256,200-281-1,56-57-5,4-nitroquinoline N-oxide,4-nitroquinoline 1-oxide,[O-][N+](=O)c1cc[n+]([O-])c2ccccc12,[O-][N+](=O)c1cc[n+]([O-])c2ccccc12,InChI=1/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,C9H6N2O3,,,,,,YHQDZJICGQWFHK-UHFFFAOYSA-N,Positive/Negative,SM829401;UA003701|UA003703,[M+H]+;[M+H]+,HCD35;CID35|CID35,191.0451:145.0522:161.0471;161.0473:145.0524:104.0496|161.0483:145.0532:174.0436,CASMI_2016;UFZ_Additional_Specs,UA003705,[M]-,CID35,160.0402:144.0454:116.0505,UFZ_Additional_Specs
100.000.257,200-282-7,56-59-7,Felypressin,"1-{[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-lysylglycinamide",NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,"InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)",C46H65N13O11S2,,,,,,SFKQVVDKFKYTNA-DZCXQCEKSA-N,,,,,,,,,,,
100.000.258,200-283-2,56-65-5,Adenosine 5'-triphosphate,adenosine 5'-(tetrahydrogen triphosphate),Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O,Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O,"InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)",C10H16N5O13P3,,,,,,ZKHQWZAMYRWXGA-KQYNXXCUSA-N,,,,,,,,,,,
100.000.264,200-290-0,56-82-6,DL-glyceraldehyde,"2,3-dihydroxypropanal",OCC(O)C=O,OCC(O)C=O,"InChI=1/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2",C3H6O3,,,,,,MNQZXJOMYWMBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.272,200-298-4,56-92-8,2-imidazol-4-ylethylamine dihydrochloride,2-(1H-imidazol-4-yl)ethanamine dihydrochloride,Cl.Cl.NCCc1c[nH]cn1,Cl.Cl.NCCc1c[nH]cn1,"InChI=1/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H",C5H9N3.2ClH,,,,,,PPZMYIBUHIPZOS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.273,200-300-3,56-93-9,Benzyltrimethylammonium chloride,"N,N,N-trimethyl(phenyl)methanaminium chloride",[Cl-].C[N+](C)(C)Cc1ccccc1,[Cl-].C[N+](C)(C)Cc1ccccc1,"InChI=1/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1",C10H16N.Cl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13489,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.273,KXHPPCXNWTUNSB-UHFFFAOYSA-M,,,,,,,,,,,
100.000.277,200-305-0,56-99-5,Carnitine hydrochloride,3-hydroxy-4-(trimethylammonio)butanoate hydrochloride,Cl.C[N+](C)(C)CC(O)CC(=O)[O-],Cl.C[N+](C)(C)CC(O)CC(=O)[O-],"InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H",C7H16NO3.Cl,,,,,,JXXCENBLGFBQJM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.284,200-312-9,57-10-3,Palmitic acid,palmitic acid,CCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCC(=O)O,"InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",C16H32O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15218,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.284,IPCSVZSSVZVIGE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.286,200-315-5,57-13-6,Urea,urea,NC(=O)N,NC(=O)N,"InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4)",CH4N2O,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16152,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.286,XSQUKJJJFZCRTK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.289,200-318-1,57-22-7,Vincristine,22-oxovincaleukoblastine,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1,"InChI=1/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3",C46H56N4O10,,,,,,OGWKCGZFUXNPDA-XQKSVPLYSA-N,,,,,,,,,,,
100.000.295,200-324-4,57-37-4,Benactyzine hydrochloride,2-(diethylamino)ethyl hydroxy(diphenyl)acetate hydrochloride,Cl.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,Cl.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H",C20H25NO3.ClH,,,,,,ZCEHOOLYWQBGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.884,200-971-2,76-59-5,Bromothymol blue,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-isopropyl-3-methylphenol)",CC(C)c1cc(c(C)c(Br)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(Br)c4C,CC(C)c1cc(c(C)c(Br)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(Br)c4C,"InChI=1/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3",C27H28Br2O5S,,,,,,NUHCTOLBWMJMLX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.886,200-973-3,76-61-9,Thymol blue,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenol)",CC(C)c1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)cc4C,CC(C)c1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)cc4C,"InChI=1/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3",C27H30O5S,,,,,,PRZSXZWFJHEZBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.888,200-975-4,76-63-1,Allyltriphenylstannane,allyl(triphenyl)stannane,C=CC[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,C=CC[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2;/rC21H20Sn/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-17H,1,18H2",C21H20Sn,,,,,,NDUYAGLANMHJHF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.889,200-977-5,76-64-2,"5-methyl-4,4-diphenyl-6-piperidinohexan-3-one","5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-one",CCC(=O)C(C(C)CN1CCCCC1)(c2ccccc2)c3ccccc3,CCC(=O)C(C(C)CN1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)20(2)19-25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3",C24H31NO,,,,,,KNIKXRHJCUWYNL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.890,200-978-0,76-67-5,Diethyl ethyl(phenyl)malonate,diethyl ethyl(phenyl)malonate,CCOC(=O)C(CC)(C(=O)OCC)c1ccccc1,CCOC(=O)C(CC)(C(=O)OCC)c1ccccc1,"InChI=1/C15H20O4/c1-4-15(13(16)18-5-2,14(17)19-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3",C15H20O4,,,,,,PKRVDBARWFJWEB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.891,200-979-6,76-68-6,5-allyl-5-(2-cyclopenten-1-yl)barbituric acid,"5-allyl-5-cyclopent-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione",C=CCC1(C2CCC=C2)C(=O)NC(=O)NC1=O,C=CCC1(C2CCC=C2)C(=O)NC(=O)NC1=O,"InChI=1/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)",C12H14N2O3,,,,,,XOVJAYNMQDTIJD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.898,200-986-4,76-83-5,Chlorotriphenylmethane,"1,1',1''-(chloromethanetriyl)tribenzene",ClC(c1ccccc1)(c2ccccc2)c3ccccc3,ClC(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H15Cl/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C19H15Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18906,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.898,JBWKIWSBJXDJDT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.901,200-990-6,76-87-9,Fentin hydroxide,triphenylstannanol,O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1/rC18H16OSn/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H",C18H16OSn,,,,,,BFWMWWXRWVJXSE-UHFFFAOYSA-M,,,,,,,,,,,
100.000.903,200-992-7,76-90-4,Mepenzolate bromide,"3-[2-hydroxy(diphenyl)acetoxy]-1,1-dimethylpiperidinium bromide",[Br-].C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,[Br-].C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1",C21H26NO3.Br,,,,,,JRRNZNSGDSFFIR-UHFFFAOYSA-M,,,,,,,,,,,
100.000.911,201-001-0,77-06-5,"(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid","2,7-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid",C[C@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)O,C[C@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)O,"InChI=1/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)",C19H22O6,,,,,,IXORZMNAPKEEDV-OBDJNFEBSA-N,,,,,,,,,,,
100.000.917,201-007-3,77-15-6,Ethoheptazine,ethyl 1-methyl-4-phenylazepane-4-carboxylate,CCOC(=O)C1(CCCN(C)CC1)c2ccccc2,CCOC(=O)C1(CCCN(C)CC1)c2ccccc2,"InChI=1/C16H23NO2/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16/h4-6,8-9H,3,7,10-13H2,1-2H3",C16H23NO2,,,,,,WGJHHMKQBWSQIY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.922,201-013-6,77-22-5,Caramiphen,2-(diethylamino)ethyl 1-phenylcyclopentanecarboxylate,CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2,CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2,"InChI=1/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3",C18H27NO2,,,,,,OFAIGZWCDGNZGT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.931,201-023-0,77-37-2,Procyclidine,1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol,OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3,OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3,"InChI=1/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",C19H29NO,,,,,,WYDUSKDSKCASEF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.296,200-326-5,57-39-6,Tris(2-methylaziridin-1-yl)phosphine oxide,"1,1',1''-phosphoryltris(2-methylaziridine)",CC1CN1P(=O)(N2CC2C)N3CC3C,CC1CN1P(=O)(N2CC2C)N3CC3C,"InChI=1/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3",C9H18N3OP,,,,,,AVUYXHYHTTVPRX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.300,200-330-7,57-43-2,Amobarbital,"5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,"InChI=1/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",C11H18N2O3,,,,,,VIROVYVQCGLCII-UHFFFAOYSA-N,,,,,,,,,,,
100.000.310,200-341-7,57-62-5,Chlortetracycline,"7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O,"InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)",C22H23ClN2O8,,,,,,CYDMQBQPVICBEU-XRNKAMNCSA-N,Positive/Negative,mzcloud:1977,[M+H]+;[M+Na]+,HCD_Averaged,58.06513:70.06513:86.06004:98.06004:126.05496:154.04986:202.01798:260.0235:275.0469:303.0419:286.0027:444.0844:462.0950,HighChem,mzcloud:1977,[M-H]-,HCD_Averaged,126.99561:169.00619:194.9855:263.0481:307.0379:392.0906:415.0226:434.1012:460.0805,HighChem
100.000.311,200-342-2,57-63-6,Ethinylestradiol,"17-ethynylestra-1,3,5(10)-triene-3,17-diol",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3",C20H24O2,,,,,,BFPYWIDHMRZLRN-SLHNCBLASA-N,Positive,EQ306501|EQ306502|EQ306503|EQ306504|EQ306505|EQ306506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,297.1848:279.1744:107.0491|107.0492:159.1168:133.0648|107.0492:133.0648:159.0805|107.0491:133.0648:159.0805|107.0491:91.0542:105.0699|107.0491:91.0542:95.0491,Eawag,,,,,
100.000.315,200-346-4,57-68-1,Sulfadimidine,"4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,"InChI=1/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",C12H14N4O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18281,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.315,ASWVTGNCAZCNNR-UHFFFAOYSA-N,Positive,mzcloud:1141,[M+H]+,HCD_Averaged,156.01137:108.0444:92.04948:65.03858:80.04947:124.0869:204.04377:213.1135,HighChem,,,,,
100.000.318,200-350-6,57-83-0,Progesterone,"pregn-4-ene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3",C21H30O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12218,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.318,RJKFOVLPORLFTN-LEKSSAKUSA-N,Positive,SM872401,[M+H]+,HCD35,315.2319:97.0648:109.0648,CASMI_2016,,,,,
100.000.319,200-351-1,57-85-2,Testosterone propionate,3-oxoandrost-4-en-17-yl propionate,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3",C22H32O3,,,,,,PDMMFKSKQVNJMI-BLQWBTBKSA-N,,,,,,,,,,,
100.000.326,200-359-5,57-97-6,"7,12-dimethylbenz[a]anthracene","7,12-dimethyltetraphene",Cc1c2ccccc2c(C)c3c1ccc4ccccc34,Cc1c2ccccc2c(C)c3c1ccc4ccccc34,"InChI=1/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3",C20H16,,,,,,ARSRBNBHOADGJU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.329,200-362-1,58-08-2,Caffeine,"1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(C)c2C1=O,CN1C(=O)N(C)c2ncn(C)c2C1=O,"InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",C8H10N4O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10085,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.329,RYYVLZVUVIJVGH-UHFFFAOYSA-N,Positive,SM866601;EA030301|EA030302|EA030303|EA030304|EA030305|EA030306|EA030307|EA030308|EA030309|EA030310|EA030311|EA030312|EA030313|EA030314;UF408901|UF408902|UF408903|UF408904;UA005001|UA005003,[M+H]+;[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55;CID35|CID35,195.0876:138.0661:110.0712;138.0662:195.0877:110.0713|195.0878:138.0665|195.0879:138.0662|195.0878:138.0662:110.0714|138.0662:195.0877:110.0712|138.0661:110.0712:195.0871|138.066:110.0712:123.0426|195.0876|195.0877:138.0661|195.0877:138.0662:110.0712|138.0662:195.0876:110.0712|138.0662:110.0713:195.0878|138.0661:110.0712:123.0426|138.0661:195.0874:110.0711;138.0663:195.0878:110.0714|138.0663:110.0713:83.0605|138.0664:195.088:110.0714|138.0663:110.0714:177.0165;138.0662:195.0877:110.0713|138.0661:195.0876:151.0978,CASMI_2016;Eawag;UFZ;UFZ_Additional_Specs,,,,,
100.000.334,200-367-9,58-19-5,Drostanolone,17-hydroxy-2-methylandrostan-3-one,C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)CC1=O,C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)CC1=O,"InChI=1/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3",C20H32O2,,,,,,IKXILDNPCZPPRV-RFMGOVQKSA-N,,,,,,,,,,,
100.000.338,200-372-6,58-27-5,Menadione,"2-methyl-1,4-naphthoquinone",CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O,"InChI=1/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",C11H8O2,,,,,,MJVAVZPDRWSRRC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.344,200-378-9,58-37-7,Aminopromazine,"N,N,N',N'-tetramethyl-3-(10H-phenothiazin-10-yl)propane-1,2-diamine",CN(C)CC(CN1c2ccccc2Sc3ccccc13)N(C)C,CN(C)CC(CN1c2ccccc2Sc3ccccc13)N(C)C,"InChI=1/C19H25N3S/c1-20(2)13-15(21(3)4)14-22-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)22/h5-12,15H,13-14H2,1-4H3",C19H25N3S,,,,,,YZQNFFLGIYEXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.348,200-383-6,58-46-8,Tetrabenazine,"3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one",COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC,COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC,"InChI=1/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3",C19H27NO3,,,,,,MKJIEFSOBYUXJB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.350,200-385-7,58-55-9,Theophylline,"1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2nc[nH]c2C1=O,CN1C(=O)N(C)c2nc[nH]c2C1=O,"InChI=1/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",C7H8N4O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11172,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.350,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,Positive/Negative,AU111403;SM815601;EQ363201|EQ363202|EQ363203|EQ363204|EQ363205|EQ363206|EQ363207|EQ363208|EQ363209,[M+H]+;[M+H]+;[M+H]+,CID17.3-26.0;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,181.0723:124.0501:142.0611;181.0719:124.0505:96.0556;181.0721:124.0507:96.0556|181.0721:124.0507:96.0557|181.0721:124.0506:96.0557|124.0507:181.0721:96.0557|124.0507:96.0557:69.0447|69.0448:124.0507:96.0557|69.0448:96.0557:109.0272|69.0448:54.0213:109.0272|69.0448:54.0213:67.0291,Athens_Univ;CASMI_2016;Eawag,SM815654;EQ363251|EQ363252|EQ363253|EQ363254|EQ363255|EQ363256|EQ363257|EQ363258|EQ363259,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,179.0575:164.034;179.0575:164.0341:122.036|179.0575:164.0341:122.0361|179.0575:164.0342:122.0361|164.0342:179.0576:122.0361|164.0342:122.0361:94.0411|122.0361:164.0342:94.0411|65.9986:79.0177:94.0411|65.9986:79.0177:92.0255|65.9986:65.0146:55.0302,CASMI_2016;Eawag
100.000.351,200-386-2,58-56-0,Pyridoxine hydrochloride,"4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride",Cl.Cc1ncc(CO)c(CO)c1O,Cl.Cc1ncc(CO)c(CO)c1O,"InChI=1/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H",C8H11NO3.ClH,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17066,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.351,ZUFQODAHGAHPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.932,201-024-6,77-39-4,Cycrimine,1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol,OC(CCN1CCCCC1)(C2CCCC2)c3ccccc3,OC(CCN1CCCCC1)(C2CCCC2)c3ccccc3,"InChI=1/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",C19H29NO,,,,,,SWRUZBWLEWHWRI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.935,201-027-2,77-42-9,"[1S-[1a,2a(Z),4a]]-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol",2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)pent-2-en-1-ol,CC(=CCCC1(C)C2CCC(C2)C1=C)CO,CC(=CCCC1(C)C2CCC(C2)C1=C)CO,"InChI=1/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3",C15H24O,,,,,,OJYKYCDSGQGTRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.942,201-035-6,77-53-2,"[3R-(3a,3aß,6a,7ß,8aa)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol",cedran-8-ol,CC1CCC2C(C)(C)C3CC12CCC3(C)O,CC1CCC2C(C)(C)C3CC12CCC3(C)O,"InChI=1/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3",C15H26O,,,,,,SVURIXNDRWRAFU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.966,201-061-8,77-83-8,"Ethyl 2,3-epoxy-3-phenylbutyrate",ethyl 3-methyl-3-phenyloxirane-2-carboxylate,CCOC(=O)C1OC1(C)c2ccccc2,CCOC(=O)C1OC1(C)c2ccccc2,"InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3",C12H14O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12589,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.966,LQKRYVGRPXFFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.967,201-062-3,77-84-9,"2-ethyl-2-methylpropane-1,3-diol","2-ethyl-2-methylpropane-1,3-diol",CCC(C)(CO)CO,CCC(C)(CO)CO,"InChI=1/C6H14O2/c1-3-6(2,4-7)5-8/h7-8H,3-5H2,1-2H3",C6H14O2,,,,,,VNAWKNVDKFZFSU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.974,201-070-7,77-93-0,Triethyl citrate,triethyl citrate,CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,"InChI=1/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3",C12H20O7,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14584,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.974,DOOTYTYQINUNNV-UHFFFAOYSA-N,Positive,SM878101,[M+H]+,HCD35,157.0496:133.0495:203.0914,CASMI_2016,,,,,
100.000.977,201-073-3,77-98-5,Tetraethylammonium hydroxide,"N,N,N-triethylethanaminium hydroxide",[OH-].CC[N+](CC)(CC)CC,[OH-].CC[N+](CC)(CC)CC,"InChI=1/C8H20N.H2O/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H2/q+1;/p-1",C8H20N.HO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10763,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.977,LRGJRHZIDJQFCL-UHFFFAOYSA-M,,,,,,,,,,,
100.000.979,201-075-4,78-00-2,Tetraethyllead,tetraethylplumbane,CC[Pb](CC)(CC)CC,CC[Pb](CC)(CC)CC,"InChI=1/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;/rC8H20Pb/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",C8H20Pb,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7664,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.979,MRMOZBOQVYRSEM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.980,201-077-5,78-04-6,Dibutyltin maleate,dibutyltin maleate,CCCC[Sn+2]CCCC.[O-]C(=O)\\C=C/C(=O)[O-],CCCC[Sn+2]CCCC.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/rC8H18Sn.C4H4O4/c1-3-5-7-9-8-6-4-2;5-3(6)1-2-4(7)8/h3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+2;/p-2",C12H20O4Sn,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11133,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.980,ZBBLRPRYYSJUCZ-GRHBHMESSA-L,,,,,,,,,,,
100.000.987,201-084-3,78-11-5,Pentaerithrityl tetranitrate,"3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate (non-preferred name)",[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],"InChI=1/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2",C5H8N4O12,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13791,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.987,TZRXHJWUDPFEEY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.992,201-090-6,78-17-1,"2-ethyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate","2,2-bis[(decanoyloxy)methyl]butyl decanoate (non-preferred name)",CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC,"InChI=1/C36H68O6/c1-5-9-12-15-18-21-24-27-33(37)40-30-36(8-4,31-41-34(38)28-25-22-19-16-13-10-6-2)32-42-35(39)29-26-23-20-17-14-11-7-3/h5-32H2,1-4H3",C36H68O6,,,,,,QQGBDFMKLXCNHD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.995,201-093-2,78-20-6,"2,2-dibutyl-1,3,2-oxathiastannolan-5-one","2,2-dibutyl-1,3,2-oxathiastannolan-5-one",CCCC[Sn]1(CCCC)OC(=O)CS1,CCCC[Sn]1(CCCC)OC(=O)CS1,"InChI=1/2C4H9.C2H4O2S.Sn/c2*1-3-4-2;3-2(4)1-5;/h2*1,3-4H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2/rC10H20O2SSn/c1-3-5-7-14(8-6-4-2)12-10(11)9-13-14/h3-9H2,1-2H3",C10H20O2SSn,,,,,,OLOQHZSCBTUIGQ-UHFFFAOYSA-L,,,,,,,,,,,
100.000.997,201-095-3,78-22-8,"3-hydroxy-2,2-bis(hydroxymethyl)propyl (R)-12-hydroxyoleate","3-hydroxy-2,2-bis(hydroxymethyl)propyl 12-hydroxyoctadec-9-enoate",CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C23H44O6/c1-2-3-4-11-14-21(27)15-12-9-7-5-6-8-10-13-16-22(28)29-20-23(17-24,18-25)19-26/h9,12,21,24-27H,2-8,10-11,13-20H2,1H3",C23H44O6,,,,,,LWVWRVPXEAYXDT-ZDKIGPTLSA-N,,,,,,,,,,,
100.001.000,201-099-5,78-26-2,"2-methyl-2-propylpropane-1,3-diol","2-methyl-2-propylpropane-1,3-diol",CCCC(C)(CO)CO,CCCC(C)(CO)CO,"InChI=1/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3",C7H16O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19100,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.000,JVZZUPJFERSVRN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.001,201-100-9,78-27-3,1-ethynylcyclohexanol,1-ethynylcyclohexanol,OC1(CCCCC1)C#C,OC1(CCCCC1)C#C,"InChI=1/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2",C8H12O,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10699,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.001,QYLFHLNFIHBCPR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.005,201-105-6,78-32-0,Tri-p-tolyl phosphate,tris(4-methylphenyl) phosphate,Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1,Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1,"InChI=1/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3",C21H21O4P,,,,,,BOSMZFBHAYFUBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.219,201-339-9,81-27-6,Sennoside A,"5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid",OC[C@H]1O[C@@H](Oc2cccc3[C@@H]([C@@H]4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cccc3[C@@H]([C@@H]4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)",C42H38O20,,,,,,IPQVTOJGNYVQEO-KGFNBKMBSA-N,,,,,,,,,,,
100.001.220,201-340-4,81-29-8,"1,3,6,8-tetrachloropyrene","1,3,6,8-tetrachloropyrene",Clc1cc(Cl)c2ccc3c(Cl)cc(Cl)c4ccc1c2c34,Clc1cc(Cl)c2ccc3c(Cl)cc(Cl)c4ccc1c2c34,InChI=1/C16H6Cl4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H,C16H6Cl4,,,,,,KNMMEDCCXYQFAX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.223,201-344-6,81-33-4,"Perylene-3,4:9,10-tetracarboxydiimide","isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",O=C1NC(=O)c2ccc3c4ccc5C(=O)NC(=O)c6ccc(c7ccc1c2c37)c4c56,O=C1NC(=O)c2ccc3c4ccc5C(=O)NC(=O)c6ccc(c7ccc1c2c37)c4c56,"InChI=1/C24H10N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-8H,(H,25,27,28)(H,26,29,30)",C24H10N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10330,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.223,KJOLVZJFMDVPGB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.230,201-351-4,81-46-9,"N-(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide","N-(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",Nc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13,Nc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C21H14N2O3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,22H2,(H,23,26)",C21H14N2O3,,,,,,PXNNPGGYHAWDJW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.239,201-361-9,81-56-1,"1,5-diamino-2,4,6,8-tetrabromoanthraquinone","1,5-diamino-2,4,6,8-tetrabromo-9,10-anthraquinone",Nc1c(Br)cc(Br)c2C(=O)c3c(N)c(Br)cc(Br)c3C(=O)c12,Nc1c(Br)cc(Br)c2C(=O)c3c(N)c(Br)cc(Br)c3C(=O)c12,"InChI=1/C14H6Br4N2O2/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2H,19-20H2",C14H6Br4N2O2,,,,,,KNOYUKKOVLJJRM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.246,201-369-2,81-68-5,"N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)-4-methylbenzenesulphonamide","N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide",COc1cc(NS(=O)(=O)c2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c3c1N,COc1cc(NS(=O)(=O)c2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-16-11-17(29-2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,23H2,1-2H3",C22H18N2O5S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10354,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.246,BXIGAWRFDMDLTL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.140,202-353-8,94-67-7,Salicylaldehyde oxime,2-hydroxybenzaldehyde oxime,O\\N=C\\c1ccccc1O,O\N=C\c1ccccc1O,"InChI=1/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H",C7H7NO2,,,,,,ORIHZIZPTZTNCU-VMPITWQZSA-N,,,,,,,,,,,
100.002.143,202-356-4,94-70-2,o-phenetidine,2-ethoxyaniline,CCOc1ccccc1N,CCOc1ccccc1N,"InChI=1/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3",C8H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10083,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.143,ULHFFAFDSSHFDA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.145,202-359-0,94-72-4,"3,3'-(2-methylpiperazine-1,4-diyl)dipropan-2-ol","1,1'-(2-methylpiperazine-1,4-diyl)dipropan-2-ol",CC(O)CN1CCN(CC(C)O)C(C)C1,CC(O)CN1CCN(CC(C)O)C(C)C1,"InChI=1/C11H24N2O2/c1-9-6-12(7-10(2)14)4-5-13(9)8-11(3)15/h9-11,14-15H,4-8H2,1-3H3",C11H24N2O2,,,,,,GPXSTLAIBOEFST-UHFFFAOYSA-N,,,,,,,,,,,
100.002.149,202-363-2,94-78-0,Phenazopyridine,"3-(phenyldiazenyl)pyridine-2,6-diamine",Nc2nc(N)ccc2N=Nc1ccccc1,Nc2nc(N)ccc2N=Nc1ccccc1,"InChI=1/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)",C11H11N5,,,,,,QPFYXYFORQJZEC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.152,202-366-9,94-82-6,"4-(2,4-dichlorophenoxy)butyric acid","4-(2,4-dichlorophenoxy)butanoic acid",OC(=O)CCCOc1ccc(Cl)cc1Cl,OC(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)",C10H10Cl2O3,,,,,,YIVXMZJTEQBPQO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.153,202-367-4,94-83-7,"2-(2,4-dichlorophenoxy)ethyl benzoate","2-(2,4-dichlorophenoxy)ethyl benzoate",Clc1ccc(OCCOC(=O)c2ccccc2)c(Cl)c1,Clc1ccc(OCCOC(=O)c2ccccc2)c(Cl)c1,"InChI=1/C15H12Cl2O3/c16-12-6-7-14(13(17)10-12)19-8-9-20-15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2",C15H12Cl2O3,,,,,,LGURYBCSJPXHTF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.166,202-382-6,95-00-1,"2,4-dichlorobenzylamine","1-(2,4-dichlorophenyl)methanamine",NCc1ccc(Cl)cc1Cl,NCc1ccc(Cl)cc1Cl,"InChI=1/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2",C7H7Cl2N,,,,,,SJUKJZSTBBSGHF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.353,200-388-3,58-60-6,"3'-amino-3'-deoxy-N,N-dimethyladenosine","3'-amino-3'-deoxy-N,N-dimethyladenosine",CN(C)c1ncnc2c1ncn2[C@@H]3O[C@H](CO)C(N)[C@H]3O,CN(C)c1ncnc2c1ncn2[C@@H]3O[C@H](CO)C(N)[C@H]3O,"InChI=1/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3",C12H18N6O3,,,,,,RYSMHWILUNYBFW-PRSYYYMHSA-N,,,,,,,,,,,
100.000.354,200-389-9,58-61-7,Adenosine,adenosine,Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,"InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)",C10H13N5O4,,,,,,OIRDTQYFTABQOQ-KQYNXXCUSA-N,,,,,,,,,,,
100.000.357,200-393-0,58-68-4,Dihydronicotinamide-adenine dinucleotide,-,NC(=O)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,NC(=O)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,"InChI=1/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)",C21H29N7O14P2,,,,,,BOPGDPNILDQYTO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.358,200-394-6,58-71-9,Cefalotin sodium,-,[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O,[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O,"InChI=1/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1",C16H16N2O6S2.Na,,,,,,VUFGUVLLDPOSBC-XRZFDKQNSA-N,,,,,,,,,,,
100.000.363,200-399-3,58-85-5,Biotin,"5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid",OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,"InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)",C10H16N2O3S,,,,,,YBJHBAHKTGYVGT-ZKWXMUAHSA-N,,,,,,,,,,,
100.000.371,200-408-0,58-97-9,Uridine 5'-(dihydrogen phosphate),5'-uridylic acid,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O,"InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)",C9H13N2O9P,,,,,,DJJCXFVJDGTHFX-XVFCMESISA-N,,,,,,,,,,,
100.000.375,200-412-2,59-02-9,a-tocopherol,"2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1,"InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3",C29H50O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11202,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.375,GVJHHUAWPYXKBD-IEOSBIPESA-N,,,,,,,,,,,
100.000.377,200-414-3,59-06-3,Methyl 4-acetamido-2-ethoxybenzoate,methyl 4-acetamido-2-ethoxybenzoate,CCOc1cc(NC(=O)C)ccc1C(=O)OC,CCOc1cc(NC(=O)C)ccc1C(=O)OC,"InChI=1/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)",C12H15NO4,,,,,,GOVWOKSKFSBNGD-UHFFFAOYSA-N,Positive/Negative,AU108401|AU108402|AU108403|AU108404|AU108405,[M+H]+,CID10|CID20|CID30|CID40|CID50,206.0807:238.1071:207.084|206.0809:164.0701:136.0752|136.0387:164.07:136.0751|136.0388:136.0753:137.0423|136.0388:137.0416:146.0598,Athens_Univ,AU108451|AU108452|AU108453|AU108454|AU108455,[M-H]-,CID10|CID20|CID30|CID40|CID50,192.0296:132.008:134.0238|132.0071:134.0242:192.0295|192.0302:132.0088:134.0247|192.0291:132.0083:134.0241|192.0297:132.0083:134.0241,Athens_Univ
100.000.382,200-420-6,59-31-4,2-quinolone,quinolin-2(1H)-one,O=C1Nc2ccccc2C=C1,O=C1Nc2ccccc2C=C1,"InChI=1/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)",C9H7NO,,,,,,LISFMEBWQUVKPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.393,200-432-1,59-51-8,DL-methionine,methionine,CSCCC(N)C(=O)O,CSCCC(N)C(=O)O,"InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2S,,,,,,FFEARJCKVFRZRR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.395,200-434-2,59-53-0,N-acetyl-3-mercapto-DL-valine,N-acetyl-3-sulfanyl-L-valine,CC(=O)N[C@H](C(=O)O)C(C)(C)S,CC(=O)N[C@H](C(=O)O)C(C)(C)S,"InChI=1/C7H13NO3S/c1-4(9)8-5(6(10)11)7(2,3)12/h5,12H,1-3H3,(H,8,9)(H,10,11)",C7H13NO3S,,,,,,MNNBCKASUFBXCO-RXMQYKEDSA-N,,,,,,,,,,,
100.000.399,200-438-4,59-63-2,Isocarboxazid,N'-benzyl-5-methylisoxazole-3-carbohydrazide,Cc1onc(c1)C(=O)NNCc2ccccc2,Cc1onc(c1)C(=O)NNCc2ccccc2,"InChI=1/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)",C12H13N3O2,,,,,,XKFPYPQQHFEXRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.401,200-441-0,59-67-6,Nicotinic acid,nicotinic acid,OC(=O)c1cccnc1,OC(=O)c1cccnc1,"InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",C6H5NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10726,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.401,PVNIIMVLHYAWGP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.403,200-443-1,59-87-0,Nitrofural,5-nitro-2-furaldehyde semicarbazone,O=[N+]([O-])c1ccc(C=NNC(N)=O)o1,O=[N+]([O-])c1ccc(C=NNC(N)=O)o1,"InChI=1/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)",C6H6N4O4,,,,,,IAIWVQXQOWNYOU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.405,200-445-2,59-92-7,Levodopa,3-hydroxytyrosine,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,"InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",C9H11NO4,,,,,,WTDRDQBEARUVNC-LURJTMIESA-N,,,,,,,,,,,
100.000.409,200-449-4,60-00-4,Edetic acid,"2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid",OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",C10H16N2O8,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14698,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.409,KCXVZYZYPLLWCC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.008,201-108-2,78-35-3,"1,5-dimethyl-1-vinylhex-4-enyl isobutyrate","1,5-dimethyl-1-vinylhex-4-en-1-yl 2-methylpropanoate",CC(C)C(=O)OC(C)(CCC=C(C)C)C=C,CC(C)C(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3",C14H24O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18004,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.008,JZIARAQCPRDGAC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.010,201-110-3,78-37-5,Linalyl cinnamate,"1,5-dimethyl-1-vinylhex-4-en-1-yl 3-phenylacrylate",CC(=CCCC(C)(OC(=O)\\C=C\\c1ccccc1)C=C)C,CC(=CCCC(C)(OC(=O)\C=C\c1ccccc1)C=C)C,"InChI=1/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3",C19H24O2,,,,,,DPFUEXLIKDHJNB-BUHFOSPRSA-N,,,,,,,,,,,
100.001.018,201-119-2,78-46-6,Dibutyl butylphosphonate,dibutyl butylphosphonate,CCCCOP(=O)(CCCC)OCCCC,CCCCOP(=O)(CCCC)OCCCC,"InChI=1/C12H27O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h4-12H2,1-3H3",C12H27O3P,,,,,,JPGXOMADPRULAC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.019,201-120-8,78-48-8,"S,S,S-tributylphosphorotrithioate","S,S,S-tributyl trithiophosphate",CCCCSP(=O)(SCCCC)SCCCC,CCCCSP(=O)(SCCCC)SCCCC,"InChI=1/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3",C12H27OPS3,,,,,,ZOKXUAHZSKEQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.023,201-125-5,78-58-0,4-isopropyl-1-methylcyclohexyl hydroperoxide,4-isopropyl-1-methylcyclohexyl hydroperoxide,CC(C)C1CCC(C)(CC1)OO,CC(C)C1CCC(C)(CC1)OO,"InChI=1/C10H20O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h8-9,11H,4-7H2,1-3H3",C10H20O2,,,,,,SGYLMBSLEMLUSN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.025,201-127-6,78-62-6,Diethoxy(dimethyl)silane,diethoxy(dimethyl)silane,CCO[Si](C)(C)OCC,CCO[Si](C)(C)OCC,"InChI=1/C6H16O2Si/c1-5-7-9(3,4)8-6-2/h5-6H2,1-4H3",C6H16O2Si,,,,,,YYLGKUPAFFKGRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.028,201-130-2,78-65-9,"3,6-dimethyloctane-3,6-diol","3,6-dimethyloctane-3,6-diol",CCC(C)(O)CCC(C)(O)CC,CCC(C)(O)CCC(C)(O)CC,"InChI=1/C10H22O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-8H2,1-4H3",C10H22O2,,,,,,WMEDSSFYIKNTNG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.035,201-138-6,78-74-0,"1,1,2-tribromoethane","1,1,2-tribromoethane",BrCC(Br)Br,BrCC(Br)Br,"InChI=1/C2H3Br3/c3-1-2(4)5/h2H,1H2",C2H3Br3,,,,,,QUMDOMSJJIFTCA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.036,201-139-1,78-75-1,"1,2-dibromopropane","1,2-dibromopropane",CC(Br)CBr,CC(Br)CBr,"InChI=1/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3",C3H6Br2,,,,,,XFNJYAKDBJUJAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.037,201-140-7,78-76-2,2-bromobutane,2-bromobutane,CCC(C)Br,CCC(C)Br,"InChI=1/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3",C4H9Br,,,,,,UPSXAPQYNGXVBF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.040,201-143-3,78-79-5,Isoprene,isoprene,CC(=C)C=C,CC(=C)C=C,"InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3",C5H8,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16096,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.040,RRHGJUQNOFWUDK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.042,201-145-4,78-81-9,Isobutylamine,2-methylpropan-1-amine,CC(C)CN,CC(C)CN,"InChI=1/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3",C4H11N,,,,,,KDSNLYIMUZNERS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.043,201-147-5,78-82-0,Isobutyronitrile,2-methylpropanenitrile,CC(C)C#N,CC(C)C#N,"InChI=1/C4H7N/c1-4(2)3-5/h4H,1-2H3",C4H7N,,,,,,LRDFRRGEGBBSRN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.044,201-148-0,78-83-1,2-methylpropan-1-ol,2-methylpropan-1-ol,CC(C)CO,CC(C)CO,"InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3",C4H10O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15092,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.044,ZXEKIIBDNHEJCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.060,201-165-3,78-99-9,"1,1-dichloropropane","1,1-dichloropropane",CCC(Cl)Cl,CCC(Cl)Cl,"InChI=1/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3",C3H6Cl2,,,,,,WIHMGGWNMISDNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.064,201-170-0,79-03-8,Propionyl chloride,propanoyl chloride,CCC(=O)Cl,CCC(=O)Cl,"InChI=1/C3H5ClO/c1-2-3(4)5/h2H2,1H3",C3H5ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5578,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.064,RZWZRACFZGVKFM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.065,201-171-6,79-04-9,Chloroacetyl chloride,chloroacetyl chloride,ClCC(=O)Cl,ClCC(=O)Cl,InChI=1/C2H2Cl2O/c3-1-2(4)5/h1H2,C2H2Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13326,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.065,VGCXGMAHQTYDJK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.066,201-172-1,79-05-0,Propionamide,propionamide,CCC(=O)N,CCC(=O)N,"InChI=1/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)",C3H7NO,,,,,,QLNJFJADRCOGBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.068,201-174-2,79-07-2,2-chloroacetamide,2-chloroacetamide,NC(=O)CCl,NC(=O)CCl,"InChI=1/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)",C2H4ClNO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11045,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.068,VXIVSQZSERGHQP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.074,201-181-0,79-15-2,N-bromoacetamide,N-bromoacetamide,CC(=O)NBr,CC(=O)NBr,"InChI=1/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)",C2H4BrNO,,,,,,VBTQNRFWXBXZQR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.081,201-188-9,79-24-3,Nitroethane,nitroethane,CC[N+](=O)[O-],CC[N+](=O)[O-],"InChI=1/C2H5NO2/c1-2-3(4)5/h2H2,1H3",C2H5NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10513,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.081,MCSAJNNLRCFZED-UHFFFAOYSA-N,,,,,,,,,,,
100.001.088,201-196-2,79-33-4,L-(+)-lactic acid,2-hydroxypropanoic acid,CC(O)C(=O)O,CC(O)C(=O)O,"InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)",C3H6O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14252,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.088,JVTAAEKCZFNVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.173,202-389-4,95-08-9,"2,2'-ethylenedioxydiethyl bis(2-ethylbutyrate)",2-(2-{2-[(2-ethylbutanoyl)oxy]ethoxy}ethoxy)ethyl 2-ethylbutanoate (non-preferred name),CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC,CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC,"InChI=1/C18H34O6/c1-5-15(6-2)17(19)23-13-11-21-9-10-22-12-14-24-18(20)16(7-3)8-4/h15-16H,5-14H2,1-4H3",C18H34O6,,,,,,JEYLQCXBYFQJRO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.179,202-396-2,95-16-9,Benzothiazole,"1,3-benzothiazole",c1ccc2scnc2c1,c1ccc2scnc2c1,InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,C7H5NS,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13176,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.179,IOJUPLGTWVMSFF-UHFFFAOYSA-N,Positive,AU405606;SM882102;EA034302|EA034303|EA034304|EA034305|EA034306|EA034307|EA034308|EA034309|EA034310|EA034311|EA034312|EA034313;UF420801|UF420802|UF420803,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CIDRAMP 15.7-23.5;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD55|HCD80|CID35,136.0208:137.0239:138.015;136.0214:109.0106:65.0388;136.0216|136.0217|136.0217|136.0217:109.0108|136.0217:109.0107:77.0387|136.0217:109.0108:77.0387|136.0216|136.0217|136.0217|136.0217:109.0107|136.0217:109.0108:77.0386|136.0217:109.0108:65.0386;136.0219:109.011:105.0338|136.0219:109.011:77.0388|136.0219:105.0337,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.002.181,202-398-3,95-20-5,2-methylindole,2-methyl-1H-indole,Cc1cc2ccccc2[nH]1,Cc1cc2ccccc2[nH]1,"InChI=1/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3",C9H9N,,,,,,BHNHHSOHWZKFOX-UHFFFAOYSA-N,Positive,SM801802,[M+H]+,HCD35,132.0807:117.0572:105.0698,CASMI_2016,,,,,
100.002.183,202-400-2,95-22-7,"4-(6'-methyl-2',6-bibenzothiazol-2-yl)aniline","4-(6-methyl-2,6'-bi-1,3-benzothiazol-2'-yl)aniline",Cc1ccc2nc(sc2c1)c3ccc4nc(sc4c3)c5ccc(N)cc5,Cc1ccc2nc(sc2c1)c3ccc4nc(sc4c3)c5ccc(N)cc5,"InChI=1/C21H15N3S2/c1-12-2-8-16-18(10-12)25-21(24-16)14-5-9-17-19(11-14)26-20(23-17)13-3-6-15(22)7-4-13/h2-11H,22H2,1H3",C21H15N3S2,,,,,,YLEIZZYNXHCGKG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.187,202-404-4,95-26-1,"2,5-dimethylbenzothiazole","2,5-dimethyl-1,3-benzothiazole",Cc1ccc2sc(C)nc2c1,Cc1ccc2sc(C)nc2c1,"InChI=1/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3",C9H9NS,,,,,,XHANCLXYCNTZMM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.196,202-414-9,95-38-5,2-(2-heptadec-8-enyl-2-imidazolin-1-yl)ethanol,"2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCC\\C=C/CCCCCCCC1=NCCN1CCO,CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCO,"InChI=1/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3",C22H42N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5233,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.196,WGTDLPBPQKAPMN-KTKRTIGZSA-N,,,,,,,,,,,
100.002.197,202-415-4,95-39-6,(bicyclo[2.2.1]hept-5-en-2-yl)methyl acrylate,bicyclo[2.2.1]hept-5-en-2-ylmethyl acrylate,C=CC(=O)OCC1CC2CC1C=C2,C=CC(=O)OCC1CC2CC1C=C2,"InChI=1/C11H14O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h2-4,8-10H,1,5-7H2",C11H14O2,,,,,,IEOVKCGOIXZDRK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.204,202-423-8,95-48-7,o-cresol,o-cresol,Cc1ccccc1O,Cc1ccccc1O,"InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",C7H8O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14924,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.204,QWVGKYWNOKOFNN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.205,202-424-3,95-49-8,2-chlorotoluene,1-chloro-2-methylbenzene,Cc1ccccc1Cl,Cc1ccccc1Cl,"InChI=1/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",C7H7Cl,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13832,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.205,IBSQPLPBRSHTTG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.208,202-428-5,95-52-3,2-fluorotoluene,1-fluoro-2-methylbenzene,Cc1ccccc1F,Cc1ccccc1F,"InChI=1/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",C7H7F,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6214,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.208,MMZYCBHLNZVROM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.209,202-429-0,95-53-4,o-toluidine,o-toluidine,Cc1ccccc1N,Cc1ccccc1N,"InChI=1/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3",C7H9N,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14441,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.209,RNVCVTLRINQCPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.213,202-433-2,95-57-8,2-chlorophenol,2-chlorophenol,Oc1ccccc1Cl,Oc1ccccc1Cl,"InChI=1/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5ClO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19031,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.213,ISPYQTSUDJAMAB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.215,202-435-3,95-59-0,"2,3-dichloro-1,4-dioxane","2,3-dichloro-1,4-dioxane",ClC1OCCOC1Cl,ClC1OCCOC1Cl,"InChI=1/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2",C4H6Cl2O2,,,,,,ZOZUXFQYIYUIND-UHFFFAOYSA-N,,,,,,,,,,,
100.002.217,202-437-4,95-64-7,"3,4-xylidine","3,4-dimethylaniline",Cc1ccc(N)cc1C,Cc1ccc(N)cc1C,"InChI=1/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3",C8H11N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10998,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.217,DOLQYFPDPKPQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.222,202-443-7,95-71-6,2-methylhydroquinone,"2-methylbenzene-1,4-diol",Cc1cc(O)ccc1O,Cc1cc(O)ccc1O,"InChI=1/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3",C7H8O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7517,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.222,CNHDIAIOKMXOLK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.223,202-444-2,95-72-7,2-chloro-p-xylene,"2-chloro-1,4-dimethylbenzene",Cc1ccc(C)c(Cl)c1,Cc1ccc(C)c(Cl)c1,"InChI=1/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3",C8H9Cl,,,,,,KZNRNQGTVRTDPN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.229,202-451-0,95-78-3,"2,5-xylidine","2,5-dimethylaniline",Cc1ccc(C)c(N)c1,Cc1ccc(C)c(N)c1,"InChI=1/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3",C8H11N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10861,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.229,VOWZNBNDMFLQGM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.231,202-453-1,95-80-7,4-methyl-m-phenylenediamine,"4-methylbenzene-1,3-diamine",Cc1ccc(N)cc1N,Cc1ccc(N)cc1N,"InChI=1/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3",C7H10N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13465,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.231,VOZKAJLKRJDJLL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.235,202-457-3,95-84-1,2-amino-p-cresol,2-amino-4-methylphenol,Cc1ccc(O)c(N)c1,Cc1ccc(O)c(N)c1,"InChI=1/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3",C7H9NO,,,,,,ZMXYNJXDULEQCK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.242,202-465-7,95-93-2,"1,2,4,5-tetramethylbenzene","1,2,4,5-tetramethylbenzene",Cc1cc(C)c(C)cc1C,Cc1cc(C)c(C)cc1C,"InChI=1/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3",C10H14,,,,,,SQNZJJAZBFDUTD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.245,202-468-3,95-96-5,Dilactide,"3,6-dimethyl-1,4-dioxane-2,5-dione",CC1OC(=O)C(C)OC1=O,CC1OC(=O)C(C)OC1=O,"InChI=1/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3",C6H8O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15774,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.245,JJTUDXZGHPGLLC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.410,200-451-5,60-01-5,Glycerol tributyrate,"propane-1,2,3-triyl tributanoate",CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,"InChI=1/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3",C15H26O6,,,,,,UYXTWWCETRIEDR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.411,200-452-0,60-02-6,Guanethidine sulphate,1-(2-azocan-1-ylethyl)guanidine sulfate,NC(=N)NCCN1CCCCCCC1.OS(=O)(=O)O,NC(=N)NCCN1CCCCCCC1.OS(=O)(=O)O,"InChI=1/C10H22N4.H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h1-9H2,(H4,11,12,13);(H2,1,2,3,4)",C10H22N4.1/2H2O4S,,,,,,YUFWAVFNITUSHI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.412,200-453-6,60-09-3,4-aminoazobenzene,4-(phenyldiazenyl)aniline,Nc1ccc(cc1)N=Nc2ccccc2,Nc1ccc(cc1)N=Nc2ccccc2,"InChI=1/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2",C12H11N3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/4822,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.412,QPQKUYVSJWQSDY-UHFFFAOYSA-N,Positive,SM811302,[M+H]+,HCD35,198.1025:95.0491:105.0447,CASMI_2016,,,,,
100.000.415,200-456-2,60-12-8,2-phenylethanol,2-phenylethanol,OCCc1ccccc1,OCCc1ccccc1,"InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",C8H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13615,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.415,WRMNZCZEMHIOCP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.416,200-457-8,60-13-9,Amphetamine sulphate,1-phenylpropan-2-amine sulfate,CC(N)Cc1ccccc1.OS(=O)(=O)O,CC(N)Cc1ccccc1.OS(=O)(=O)O,"InChI=1/C9H13N.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H2,1,2,3,4)",C9H13N.1/2H2O4S,,,,,,SOFQDLYSFOWTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.417,200-458-3,60-15-1,a-methylphenethylamine,1-phenylpropan-2-amine,CC(N)Cc1ccccc1,CC(N)Cc1ccccc1,"InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",C9H13N,,,,,,KWTSXDURSIMDCE-UHFFFAOYSA-N,Positive,AU154001|AU154002;EA282201|EA282202|EA282203|EA282204|EA282205|EA282206|EA282207|EA282208|EA282209|EA282210|EA282211|EA282212|EA282213|EA282214,[M+H]+;[M+H]+,CID10|CID20;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,119.0859:136.1124:120.0892|119.085;119.0857:91.0543:136.1122|119.0856:136.1122:91.0543|91.0543:119.0856:136.1122|91.0544:119.0855:136.1118|91.0543:119.0854:65.0385|91.0544:65.0384|91.0543:65.0386|119.0856:136.1122:91.0543|91.0543:119.0856:136.1122|91.0543:119.0856:136.1122|91.0543:119.0856:65.0386|91.0543:119.0858:65.0386|91.0543:65.0386:119.0861|119.0856:91.0543:136.1122,Athens_Univ;Eawag,,,,,
100.000.428,200-470-9,60-33-3,Linoleic acid,"octadeca-9,12-dienoic acid",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)O,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O,"InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)",C18H32O2,,,,,,OYHQOLUKZRVURQ-HZJYTTRNSA-N,Positive/Negative,EQ331601|EQ331602|EQ331603|EQ331604|EQ331605|EQ331606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,263.2369:245.2264:97.1011|97.1012:83.0855:69.0699|69.0699:81.0699:83.0855|69.0699:81.0699:95.0855|81.0699:67.0542:69.0699|67.0542:81.0699:91.0542,Eawag,EQ331651|EQ331652|EQ331653|EQ331654|EQ331655,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75,279.233|279.233:261.2225:59.0139|279.233:59.0139:261.2224|279.2332:71.0139|71.0139,Eawag
100.000.439,200-482-4,60-56-0,Thiamazole,"1-methyl-1,3-dihydro-2H-imidazole-2-thione",CN1C=CNC1=S,CN1C=CNC1=S,"InChI=1/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)",C4H6N2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18738,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.439,PMRYVIKBURPHAH-UHFFFAOYSA-N,Positive,AU116601|AU116602|AU116603|AU116606,[M+H]+,CID14.9-22.4|CID20|CID30|CID10,115.0327:57.0568:56.049|115.0334|115.0317|115.0334:116.0365:117.0293,Athens_Univ,,,,,
100.000.448,200-492-9,60-92-4,"Adenosine 3',5'-phosphate monohydrate","6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide hydrate",O.Nc4ncnc3c4ncn3[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O,O.Nc4ncnc3c4ncn3[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O,"InChI=1/C10H12N5O6P.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);1H2",C10H12N5O6P,,,,,,GXYGERHACAPJMO-MCDZGGTQSA-N,,,,,,,,,,,
100.000.452,200-497-6,61-01-8,Methopromazine,"3-(2-methoxy-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine",COc1ccc2Sc3ccccc3N(CCCN(C)C)c2c1,COc1ccc2Sc3ccccc3N(CCCN(C)C)c2c1,"InChI=1/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3",C18H22N2OS,,,,,,BRABPYPSZVCCLR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.455,200-500-0,61-19-8,Adenosine phosphate,5'-adenylic acid,Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O,Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O,"InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)",C10H14N5O7P,,,,,,UDMBCSSLTHHNCD-KQYNXXCUSA-N,,,,,,,,,,,
100.000.458,200-503-7,61-28-9,"1-ethyl-1,3-dihydro-2H-indol-2-one","1-ethyl-1,3-dihydro-2H-indol-2-one",CCN1C(=O)Cc2ccccc12,CCN1C(=O)Cc2ccccc12,"InChI=1/C10H11NO/c1-2-11-9-6-4-3-5-8(9)7-10(11)12/h3-6H,2,7H2,1H3",C10H11NO,,,,,,VSMXLKGFTKFOSB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.460,200-505-8,61-32-5,Methicillin,"6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O,COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O,"InChI=1/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)",C17H20N2O6S,,,,,,RJQXTJLFIWVMTO-TYNCELHUSA-N,,,,,,,,,,,
100.002.470,202-717-6,98-96-4,Pyrazinamide,pyrazine-2-carboxamide,NC(=O)c1cnccn1,NC(=O)c1cnccn1,"InChI=1/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",C5H5N3O,,,,,,IPEHBUMCGVEMRF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.472,202-719-7,98-98-6,Pyridine-2-carboxylic acid,pyridine-2-carboxylic acid,OC(=O)c1ccccn1,OC(=O)c1ccccn1,"InChI=1/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)",C6H5NO2,,,,,,SIOXPEMLGUPBBT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.477,202-724-4,99-05-8,3-aminobenzoic acid,3-aminobenzoic acid,Nc1cccc(c1)C(=O)O,Nc1cccc(c1)C(=O)O,"InChI=1/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)",C7H7NO2,,,,,,XFDUHJPVQKIXHO-UHFFFAOYSA-N,Positive,ML001001,[M+H]+,HCD50,138.055:94.0651:120.0444,MetaboLights,,,,,
100.001.099,201-208-6,79-44-7,Dimethylcarbamoyl chloride,dimethylcarbamic chloride,CN(C)C(=O)Cl,CN(C)C(=O)Cl,InChI=1/C3H6ClNO/c1-5(2)3(4)6/h1-2H3,C3H6ClNO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8335,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.099,YIIMEMSDCNDGTB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.102,201-211-2,79-55-0,Pempidine,"1,2,2,6,6-pentamethylpiperidine",CN1C(C)(C)CCCC1(C)C,CN1C(C)(C)CCCC1(C)C,"InChI=1/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3",C10H21N,,,,,,XULIXFLCVXWHRF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.106,201-215-4,79-64-1,Dimethisterone,"17-hydroxy-6,10,13-trimethyl-17-prop-1-yn-1-yl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H32O2/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4/h14-15,17-19,25H,6-8,10-13H2,1-4H3",C23H32O2,,,,,,LVHOURKCKUYIGK-RGUJTQARSA-N,,,,,,,,,,,
100.001.112,201-222-2,79-74-3,"2,5-di-tert-pentylhydroquinone","2,5-bis(1,1-dimethylpropyl)benzene-1,4-diol",CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC,CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC,"InChI=1/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3",C16H26O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12704,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.112,CZNRFEXEPBITDS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.113,201-223-8,79-76-5,"4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one","4-(2,2-dimethyl-6-methylenecyclohexyl)but-3-en-2-one",C=C1CCCC(C)(C)C1C=CC(C)=O,C=C1CCCC(C)(C)C1C=CC(C)=O,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3",C13H20O,,,,,,SFEOKXHPFMOVRM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.114,201-224-3,79-77-6,"(E)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one",CC(=O)\\C=C\\C1=C(C)CCCC1(C)C,CC(=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3",C13H20O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13900,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.114,PSQYTAPXSHCGMF-BQYQJAHWSA-N,,,,,,,,,,,
100.001.122,201-233-2,79-91-4,"Tetrahydro-2,2-dimethyl-5-oxo-3-furoic acid","2,2-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid",CC1(C)OC(=O)CC1C(=O)O,CC1(C)OC(=O)CC1C(=O)O,"InChI=1/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)",C7H10O4,,,,,,UZBOWOQARWWIER-UHFFFAOYSA-N,,,,,,,,,,,
100.001.126,201-237-4,79-95-8,"2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol","4,4'-propane-2,2-diylbis(2,6-dichlorophenol)",CC(C)(c1cc(Cl)c(O)c(Cl)c1)c2cc(Cl)c(O)c(Cl)c2,CC(C)(c1cc(Cl)c(O)c(Cl)c1)c2cc(Cl)c(O)c(Cl)c2,"InChI=1/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3",C15H12Cl4O2,,,,,,KYPYTERUKNKOLP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.130,201-242-1,80-00-2,p-chlorophenyl phenyl sulphone,1-chloro-4-(phenylsulfonyl)benzene,Clc1ccc(cc1)S(=O)(=O)c2ccccc2,Clc1ccc(cc1)S(=O)(=O)c2ccccc2,"InChI=1/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H",C12H9ClO2S,,,,,,OFCFYWOKHPOXKF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.131,201-243-7,80-03-5,N-[4-[(4-aminophenyl)sulphonyl]phenyl]glycine,N-{4-[(4-aminophenyl)sulfonyl]phenyl}glycine,Nc1ccc(cc1)S(=O)(=O)c2ccc(NCC(=O)O)cc2,Nc1ccc(cc1)S(=O)(=O)c2ccc(NCC(=O)O)cc2,"InChI=1/C14H14N2O4S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)",C14H14N2O4S,,,,,,FKKUMFTYSTZUJG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.132,201-244-2,80-04-6,"4,4'-isopropylidenedicyclohexanol","4,4'-propane-2,2-diyldicyclohexanol",CC(C)(C1CCC(O)CC1)C2CCC(O)CC2,CC(C)(C1CCC(O)CC1)C2CCC(O)CC2,"InChI=1/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3",C15H28O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11451,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.132,CDBAMNGURPMUTG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.142,201-255-2,80-17-1,Benzenesulphonohydrazide,benzenesulfonohydrazide,NNS(=O)(=O)c1ccccc1,NNS(=O)(=O)c1ccccc1,"InChI=1/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2",C6H8N2O2S,,,,,,VJRITMATACIYAF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.145,201-258-9,80-20-6,3-amino-4-hydroxy-N-phenylbenzenesulphonamide,3-amino-4-hydroxy-N-phenylbenzenesulfonamide,Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2,Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2,"InChI=1/C12H12N2O3S/c13-11-8-10(6-7-12(11)15)18(16,17)14-9-4-2-1-3-5-9/h1-8,14-15H,13H2",C12H12N2O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10804,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.145,IAOZVUUQCPRLOI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.147,201-261-5,80-22-8,3-amino-N-butyl-4-methoxybenzenesulphonamide,3-amino-N-butyl-4-methoxybenzenesulfonamide,CCCCNS(=O)(=O)c1ccc(OC)c(N)c1,CCCCNS(=O)(=O)c1ccc(OC)c(N)c1,"InChI=1/C11H18N2O3S/c1-3-4-7-13-17(14,15)9-5-6-11(16-2)10(12)8-9/h5-6,8,13H,3-4,7,12H2,1-2H3",C11H18N2O3S,,,,,,XOIMPHNXVTYJAB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.151,201-265-7,80-26-2,p-menth-1-en-8-yl acetate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate,CC(=O)OC(C)(C)C1CCC(=CC1)C,CC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10217,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.151,IGODOXYLBBXFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.156,201-270-4,80-33-1,Chlorfenson,4-chlorophenyl 4-chlorobenzenesulfonate,Clc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1,Clc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1,"InChI=1/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H",C12H8Cl2O3S,,,,,,RZXLPPRPEOUENN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.357,202-591-2,97-56-3,4-o-tolylazo-o-toluidine,2-methyl-4-[(2-methylphenyl)diazenyl]aniline,Cc2cc(N=Nc1ccccc1C)ccc2N,Cc2cc(N=Nc1ccccc1C)ccc2N,"InChI=1/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3",C14H15N3,,,,,,PFRYFZZSECNQOL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.360,202-594-9,97-61-0,2-methylvaleric acid,2-methylpentanoic acid,CCCC(C)C(=O)O,CCCC(C)C(=O)O,"InChI=1/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",C6H12O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6529,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.360,OVBFMEVBMNZIBR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.365,202-601-5,97-67-6,L-malic acid,malic acid,OC(CC(=O)O)C(=O)O,OC(CC(=O)O)C(=O)O,"InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",C4H6O5,,,,,,BJEPYKJPYRNKOW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.371,202-607-8,97-77-8,Disulfiram,"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane",CCN(CC)C(=S)SSC(=S)N(CC)CC,CCN(CC)C(=S)SSC(=S)N(CC)CC,"InChI=1/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",C10H20N2S4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11549,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.371,AUZONCFQVSMFAP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.377,202-614-6,97-87-0,Butyl isobutyrate,butyl 2-methylpropanoate,CCCCOC(=O)C(C)C,CCCCOC(=O)C(C)C,"InChI=1/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3",C8H16O2,,,,,,JSLCOZYBKYHZNL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.378,202-615-1,97-88-1,Butyl methacrylate,butyl methacrylate,CCCCOC(=O)C(=C)C,CCCCOC(=O)C(=C)C,"InChI=1/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3",C8H14O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15151,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.378,SOGAXMICEFXMKE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.381,202-618-8,97-91-6,Tetramethylthiuram tetrasulphide,"N,N,N',N'-tetramethyltetrasulfane-1,4-dicarbothioamide",CN(C)C(=S)SSSSC(=S)N(C)C,CN(C)C(=S)SSSSC(=S)N(C)C,InChI=1/C6H12N2S6/c1-7(2)5(9)11-13-14-12-6(10)8(3)4/h1-4H3,C6H12N2S6,,,,,,VHSBTBDMKDUVKG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.383,202-620-9,97-94-9,Triethylborane,triethylborane,CCB(CC)CC,CCB(CC)CC,"InChI=1/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15B,,,,,,LALRXNPLTWZJIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.406,202-646-0,98-18-0,m-aminobenzenesulphonamide,3-aminobenzenesulfonamide,Nc1cccc(c1)S(=O)(=O)N,Nc1cccc(c1)S(=O)(=O)N,"InChI=1/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",C6H8N2O2S,,,,,,JPVKCHIPRSQDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.255,202-479-3,96-12-8,"1,2-dibromo-3-chloropropane","1,2-dibromo-3-chloropropane",ClCC(Br)CBr,ClCC(Br)CBr,"InChI=1/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2",C3H5Br2Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11656,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.255,WBEJYOJJBDISQU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.256,202-480-9,96-13-9,"2,3-dibromopropan-1-ol","2,3-dibromopropan-1-ol",OCC(Br)CBr,OCC(Br)CBr,"InChI=1/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2",C3H6Br2O,,,,,,QWVCIORZLNBIIC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.257,202-481-4,96-14-0,3-methylpentane,3-methylpentane,CCC(C)CC,CCC(C)CC,"InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3",C6H14,,,,,,PFEOZHBOMNWTJB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.263,202-488-2,96-20-8,2-aminobutan-1-ol,2-aminobutan-1-ol,CCC(N)CO,CCC(N)CO,"InChI=1/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3",C4H11NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12299,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.263,JCBPETKZIGVZRE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.264,202-489-8,96-21-9,"1,3-dibromopropan-2-ol","1,3-dibromopropan-2-ol",OC(CBr)CBr,OC(CBr)CBr,"InChI=1/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2",C3H6Br2O,,,,,,KIHQZLPHVZKELA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.266,202-491-9,96-23-1,"1,3-dichloropropan-2-ol","1,3-dichloropropan-2-ol",OC(CCl)CCl,OC(CCl)CCl,"InChI=1/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2",C3H6Cl2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16313,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.266,DEWLEGDTCGBNGU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.273,202-499-2,96-32-2,Methyl bromoacetate,methyl bromoacetate,COC(=O)CBr,COC(=O)CBr,"InChI=1/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3",C3H5BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5590,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.273,YDCHPLOFQATIDS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.277,202-503-2,96-37-7,Methylcyclopentane,methylcyclopentane,CC1CCCC1,CC1CCCC1,"InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3",C6H12,,,,,,GDOPTJXRTPNYNR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.281,202-507-4,96-47-9,Tetrahydro-2-methylfuran,2-methyltetrahydrofuran,CC1CCCO1,CC1CCCO1,"InChI=1/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3",C5H10O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13699,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.281,JWUJQDFVADABEY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.282,202-509-5,96-48-0,<U+03B3>-butyrolactone,dihydrofuran-2(3H)-one,O=C1CCCO1,O=C1CCCO1,InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,C4H6O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14990,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.282,YEJRWHAVMIAJKC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.283,202-510-0,96-49-1,Ethylene carbonate,2-(carboxyoxy)ethyl carbonate,OC(=O)OCCOC(=O)[O-],OC(=O)OCCOC(=O)[O-],"InChI=1/C4H6O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-1",C3H4O3,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14909,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.283,ZUOSJYIZXTZROD-UHFFFAOYSA-M,,,,,,,,,,,
100.002.286,202-513-7,96-54-8,1-methylpyrrole,1-methyl-1H-pyrrole,Cn1cccc1,Cn1cccc1,"InChI=1/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3",C5H7N,,,,,,OXHNLMTVIGZXSG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.480,202-728-6,99-08-1,3-nitrotoluene,1-methyl-3-nitrobenzene,Cc1cccc(c1)[N+](=O)[O-],Cc1cccc(c1)[N+](=O)[O-],"InChI=1/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3",C7H7NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11007,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.480,QZYHIOPPLUPUJF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.490,202-739-6,99-20-7,Trehalose,alpha-D-glucopyranosyl alpha-D-glucopyranoside,O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2",C12H22O11,,,,,,HDTRYLNUVZCQOY-LIZSDCNHSA-N,,,,,,,,,,,
100.002.491,202-740-1,99-21-8,4'-amino-5'-methoxy-2'-methylbenzanilide,N-(4-amino-5-methoxy-2-methylphenyl)benzamide,COc1cc(NC(=O)c2ccccc2)c(C)cc1N,COc1cc(NC(=O)c2ccccc2)c(C)cc1N,"InChI=1/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18)",C15H16N2O2,,,,,,VENDXQNWODZJGB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.630,201-792-2,88-03-9,2-methylphloroglucinol,"2-methylbenzene-1,3,5-triol",Cc1c(O)cc(O)cc1O,Cc1c(O)cc(O)cc1O,"InChI=1/C7H8O3/c1-4-6(9)2-5(8)3-7(4)10/h2-3,8-10H,1H3",C7H8O3,,,,,,BPHYZRNTQNPLFI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.635,201-798-5,88-10-8,Diethylcarbamoyl chloride,diethylcarbamic chloride,CCN(CC)C(=O)Cl,CCN(CC)C(=O)Cl,"InChI=1/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3",C5H10ClNO,,,,,,OFCCYDUUBNUJIB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.637,201-800-4,88-12-0,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,C=CN1CCCC1=O,C=CN1CCCC1=O,"InChI=1/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2",C6H9NO,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15035,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.637,WHNWPMSKXPGLAX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.640,201-804-6,88-15-3,Methyl 2-thienyl ketone,1-(2-thienyl)ethanone,CC(=O)c1cccs1,CC(=O)c1cccs1,"InChI=1/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3",C6H6OS,,,,,,WYJOVVXUZNRJQY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.642,201-806-7,88-17-5,"a,a,a-trifluoro-o-toluidine",2-(trifluoromethyl)aniline,Nc1ccccc1C(F)(F)F,Nc1ccccc1C(F)(F)F,"InChI=1/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2",C7H6F3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11316,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.642,VBLXCTYLWZJBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.644,201-808-8,88-19-7,Toluene-2-sulphonamide,2-methylbenzenesulfonamide,Cc1ccccc1S(=O)(=O)N,Cc1ccccc1S(=O)(=O)N,"InChI=1/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",C7H9NO2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10712,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.644,YCMLQMDWSXFTIF-UHFFFAOYSA-N,Positive/Negative,EQ360501|EQ360502|EQ360503|EQ360504|EQ360505|EQ360506|EQ360507|EQ360508|EQ360509,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,91.0542:119.0604:109.0648|91.0542:119.0604:109.0648|91.0542:119.0604:109.0648|91.0542:109.0648:119.0604|91.0542:65.0386:119.0604|91.0542:65.0386:63.0229|65.0386:91.0542:63.0229|65.0386:91.0542:63.0229|65.0386:63.0229:51.023,Eawag,EQ360551|EQ360552|EQ360553|EQ360554|EQ360555|EQ360556|EQ360557|EQ360558|EQ360559,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,170.0281:106.0662:78.973|170.0281:106.0662:79.9812|170.0282:106.0662:79.9812|170.0282:78.9734:79.9812|78.9733:93.9604:79.9812|78.9733:93.9604:61.9706|63.9624:61.9706:78.9733|63.9624:61.9706:78.9733|63.9624:61.9706:78.9733,Eawag
100.001.912,202-102-2,91-84-9,Mepyramine,"N-(4-methoxybenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine",COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,"InChI=1/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3",C17H23N3O,,,,,,YECBIJXISLIIDS-UHFFFAOYSA-N,Positive,EQ300601|EQ300602|EQ300603|EQ300604|EQ300605|EQ300606;ET170001|ET170002|ET170003|ET170004|ET170005,[M+H]+;[M+H]+,"HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",241.1339:286.1917:121.065|121.065:241.1338:286.1916|121.065:241.1337:72.0808|121.065:91.0543:95.0493|121.065:91.0543:95.0493|121.065:91.0544:95.0493;121.0649:91.0543:95.0492|121.0649:91.0543:95.0492|241.1337:286.1916:121.0649|121.0649:241.1338:286.1917|121.0649:241.1338:72.081,Eawag;Eawag_Additional_Specs,,,,,
100.001.914,202-104-3,91-87-2,[2-(dimethoxymethyl)-1-heptenyl]benzene,[2-(dimethoxymethyl)hept-1-en-1-yl]benzene,COC(OC)C(=Cc1ccccc1)CCCCC,COC(OC)C(=Cc1ccccc1)CCCCC,"InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3",C16H24O2,,,,,,QCHZKUPVENJLAW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.915,202-105-9,91-88-3,2-(N-ethyl-m-toluidino)ethanol,2-[ethyl(3-methylphenyl)amino]ethanol,CCN(CCO)c1cccc(C)c1,CCN(CCO)c1cccc(C)c1,"InChI=1/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3",C11H17NO,,,,,,KRNUKKZDGDAWBF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.924,202-115-3,92-00-2,"2,2'-(3-chlorophenylimino)diethanol","2,2'-[(3-chlorophenyl)imino]diethanol",OCCN(CCO)c1cccc(Cl)c1,OCCN(CCO)c1cccc(Cl)c1,"InChI=1/C10H14ClNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2",C10H14ClNO2,,,,,,MVQUJEUCFOGFJU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.925,202-116-9,92-01-3,2-amino-5-(6-methylbenzothiazol-2-yl)benzenesulphonic acid,"2-amino-5-(6-methyl-1,3-benzothiazol-2-yl)benzenesulfonic acid",Cc1ccc2nc(sc2c1)c3ccc(N)c(c3)S(=O)(=O)O,Cc1ccc2nc(sc2c1)c3ccc(N)c(c3)S(=O)(=O)O,"InChI=1/C14H12N2O3S2/c1-8-2-5-11-12(6-8)20-14(16-11)9-3-4-10(15)13(7-9)21(17,18)19/h2-7H,15H2,1H3,(H,17,18,19)",C14H12N2O3S2,,,,,,SGFXNJIQRFEOIA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.931,202-123-7,92-07-9,"3,5-diphenylpyridine","3,5-diphenylpyridine",c1ccc(cc1)c2cncc(c2)c3ccccc3,c1ccc(cc1)c2cncc(c2)c3ccccc3,InChI=1/C17H13N/c1-3-7-14(8-4-1)16-11-17(13-18-12-16)15-9-5-2-6-10-15/h1-13H,C17H13N,,,,,,VCJOMHSIIOWCPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.932,202-124-2,92-09-1,N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide,N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide,CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1,CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1,"InChI=1/C12H21N3O2S/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11/h5-6,9,14H,4,7-8,13H2,1-3H3",C12H21N3O2S,,,,,,NPKFETRYYSUTEC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.933,202-125-8,92-10-4,4-[(2-chloroethyl)ethylamino]-o-tolualdehyde,4-[(2-chloroethyl)(ethyl)amino]-2-methylbenzaldehyde,CCN(CCCl)c1ccc(C=O)c(C)c1,CCN(CCCl)c1ccc(C=O)c(C)c1,"InChI=1/C12H16ClNO/c1-3-14(7-6-13)12-5-4-11(9-15)10(2)8-12/h4-5,8-9H,3,6-7H2,1-2H3",C12H16ClNO,,,,,,VPQJPICTQVMGOG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.161,201-276-7,80-40-0,Ethyl toluene-4-sulphonate,ethyl 4-methylbenzenesulfonate,CCOS(=O)(=O)c1ccc(C)cc1,CCOS(=O)(=O)c1ccc(C)cc1,"InChI=1/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",C9H12O3S,,,,,,VRZVPALEJCLXPR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.162,201-277-2,80-41-1,2-chloroethyl toluene-4-sulphonate,2-chloroethyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OCCCl,Cc1ccc(cc1)S(=O)(=O)OCCCl,"InChI=1/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3",C9H11ClO3S,,,,,,ZXNMIUJDTOMBPV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.183,201-300-6,80-68-2,DL-threonine,threonine,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O,"InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)",C4H9NO3,,,,,,AYFVYJQAPQTCCC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.186,201-303-2,80-71-7,2-hydroxy-3-methylcyclopent-2-enone,2-hydroxy-3-methylcyclopent-2-en-1-one,CC1=C(O)C(=O)CC1,CC1=C(O)C(=O)CC1,"InChI=1/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3",C6H8O2,,,,,,CFAKWWQIUFSQFU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.187,201-304-8,80-73-9,"1,3-dimethylimidazolidin-2-one","1,3-dimethylimidazolidin-2-one",CN1CCN(C)C1=O,CN1CCN(C)C1=O,"InChI=1/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3",C5H10N2O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11777,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.187,CYSGHNMQYZDMIA-UHFFFAOYSA-N,Positive,AU223101|AU223102,[M+H]+,CID10|CID20,115.0867:116.0898|115.0867:113.0704,Athens_Univ,,,,,
100.001.191,201-309-5,80-78-4,Solanidine,solanid-5-en-3-ol,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,"InChI=1/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3",C27H43NO,,,,,,JVKYZPBMZPJNAJ-OQFNDJACSA-N,,,,,,,,,,,
100.001.196,201-314-2,80-96-6,"21-hydroxy-5ß-pregnane-3,20-dione 21-(hydrogen succinate)","4-[(3,20-dioxopregnan-21-yl)oxy]-4-oxobutanoic acid",CC12CCC(=O)CC1CCC3C4CCC(C(=O)COC(=O)CCC(=O)O)C4(C)CCC23,CC12CCC(=O)CC1CCC3C4CCC(C(=O)COC(=O)CCC(=O)O)C4(C)CCC23,"InChI=1/C25H36O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h15,17-20H,3-14H2,1-2H3,(H,28,29)",C25H36O6,,,,,,KLRNMIUKAXHHFS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.197,201-315-8,80-97-7,5-a-cholestan-3-ß-ol,cholestan-3-ol,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3",C27H48O,,,,,,QYIXCDOBOSTCEI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.203,201-322-6,81-08-3,2-sulphobenzoic anhydride,"2,2'-(oxydicarbonyl)dibenzenesulfonic acid",OS(=O)(=O)c1ccccc1C(=O)OC(=O)c2ccccc2S(=O)(=O)O,OS(=O)(=O)c1ccccc1C(=O)OC(=O)c2ccccc2S(=O)(=O)O,"InChI=1/C14H10O9S2/c15-13(9-5-1-3-7-11(9)24(17,18)19)23-14(16)10-6-2-4-8-12(10)25(20,21)22/h1-8H,(H,17,18,19)(H,20,21,22)",C7H4O4S,,,,,,VTULJCFJIIAAIS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.208,201-327-3,81-13-0,Dexpanthenol,"2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide",CC(C)(CO)C(O)C(=O)NCCCO,CC(C)(CO)C(O)C(=O)NCCCO,"InChI=1/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)",C9H19NO4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14227,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.208,SNPLKNRPJHDVJA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.214,201-334-1,81-21-0,"1,2:5,6-diepoxyhexahydro-4,7-methanoindan","octahydro-1aH-2,4-methanoindeno[1,2-b:5,6-b']bisoxirene",C1C2OC2C3C1C4CC3C5OC45,C1C2OC2C3C1C4CC3C5OC45,"InChI=1/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2",C10H12O2,,,,,,BQQUFAMSJAKLNB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.215,201-335-7,81-23-2,Dehydrocholic acid,"3,7,12-trioxocholan-24-oic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O,"InChI=1/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)",C24H34O5,,,,,,OHXPGWPVLFPUSM-KLRNGDHRSA-N,,,,,,,,,,,
100.000.120,200-131-5,51-93-4,Ethyltrimethylammonium iodide,"N,N,N-trimethylethanaminium iodide",[I-].CC[N+](C)(C)C,[I-].CC[N+](C)(C)C,"InChI=1/C5H14N.HI/c1-5-6(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1",C5H14N.I,,,,,,ZPEBBUBSCOELHI-UHFFFAOYSA-M,,,,,,,,,,,
100.000.124,200-135-7,52-24-4,Thiotepa,"1,1',1''-phosphorothioyltriaziridine",S=P(N1CC1)(N2CC2)N3CC3,S=P(N1CC1)(N2CC2)N3CC3,"InChI=1/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2",C6H12N3PS,,,,,,FOCVUCIESVLUNU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.250,201-373-4,81-73-2,"6-aminonaphth[2,3-c]acridine-5,8,14(13H)-trione","6-aminonaphtho[2,3-c]acridine-5,8,14(13H)-trione",Nc1cc2C(=O)c3ccccc3Nc2c4C(=O)c5ccccc5C(=O)c14,Nc1cc2C(=O)c3ccccc3Nc2c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C21H12N2O3/c22-14-9-13-18(23-15-8-4-3-7-12(15)19(13)24)17-16(14)20(25)10-5-1-2-6-11(10)21(17)26/h1-9H,22H2,(H,23,24)",C21H12N2O3,,,,,,FLAHKOFOWMLBFH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.255,201-379-7,81-83-4,"Naphthalene-1,8-dicarboximide","1H-benzo[de]isoquinoline-1,3(2H)-dione",O=C1NC(=O)c2cccc3cccc1c23,O=C1NC(=O)c2cccc3cccc1c23,"InChI=1/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)",C12H7NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8318,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.255,XJHABGPPCLHLLV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.289,202-516-3,96-57-1,"N,N-dimethyl-2-nitrotoluene-4-sulphonamide","N,N,4-trimethyl-3-nitrobenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(C)c(c1)[N+](=O)[O-],CN(C)S(=O)(=O)c1ccc(C)c(c1)[N+](=O)[O-],"InChI=1/C9H12N2O4S/c1-7-4-5-8(6-9(7)11(12)13)16(14,15)10(2)3/h4-6H,1-3H3",C9H12N2O4S,,,,,,HUMQVESBHAREIH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.293,202-521-0,96-65-1,"6,6'-di-tert-butyl-4,4'-methylenedi-o-cresol","4,4'-methylenebis(2-tert-butyl-6-methylphenol)",Cc1cc(Cc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C,Cc1cc(Cc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C23H32O2/c1-14-9-16(12-18(20(14)24)22(3,4)5)11-17-10-15(2)21(25)19(13-17)23(6,7)8/h9-10,12-13,24-25H,11H2,1-8H3",C23H32O2,,,,,,RKLRVTKRKFEVQG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.295,202-523-1,96-67-3,3-amino-2-hydroxy-5-nitrobenzenesulphonic acid,3-amino-2-hydroxy-5-nitrobenzenesulfonic acid,Nc1cc(cc(c1O)S(=O)(=O)O)[N+](=O)[O-],Nc1cc(cc(c1O)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C6H6N2O6S/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14/h1-2,9H,7H2,(H,12,13,14)",C6H6N2O6S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8823,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.295,DQIVFTJHYKDOMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.307,202-536-2,96-80-0,2-diisopropylaminoethanol,2-(diisopropylamino)ethanol,CC(C)N(CCO)C(C)C,CC(C)N(CCO)C(C)C,"InChI=1/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3",C8H19NO,,,,,,ZYWUVGFIXPNBDL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.309,202-538-3,96-82-2,4-O-ß-D-galactopyranosyl-D-gluconic acid,4-O-beta-D-galactopyranosyl-D-gluconic acid,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)O,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)",C12H22O12,,,,,,JYTUSYBCFIZPBE-AMTLMPIISA-N,,,,,,,,,,,
100.002.314,202-544-6,96-91-3,"2-amino-4,6-dinitrophenol","2-amino-4,6-dinitrophenol",Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2",C6H5N3O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17538,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.314,QXYMVUZOGFVPGH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.317,202-547-2,96-96-8,2-nitro-p-anisidine,4-methoxy-2-nitroaniline,COc1ccc(N)c(c1)[N+](=O)[O-],COc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3",C7H8N2O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13251,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.317,QFMJFXFXQAFGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.319,202-549-3,96-98-0,3-nitro-p-toluic acid,4-methyl-3-nitrobenzoic acid,Cc1ccc(cc1[N+](=O)[O-])C(=O)O,Cc1ccc(cc1[N+](=O)[O-])C(=O)O,"InChI=1/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5345,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.319,BBEWSMNRCUXQRF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.323,202-554-0,97-04-1,2-chloro-5-sulphamoylbenzoic acid,2-chloro-5-sulfamoylbenzoic acid,NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)O,NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)O,"InChI=1/C7H6ClNO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)(H2,9,12,13)",C7H6ClNO4S,,,,,,LWDSANAOYPHQAW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.327,202-558-2,97-08-5,4-chloro-3-nitrobenzenesulphonyl chloride,4-chloro-3-nitrobenzenesulfonyl chloride,[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Cl,[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Cl,"InChI=1/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H",C6H3Cl2NO4S,,,,,,SEWNAJIUKSTYOP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.330,202-561-9,97-13-2,"N,N,N'-triisopropylethylenediamine","N,N,N'-triisopropylethane-1,2-diamine",CC(C)NCCN(C(C)C)C(C)C,CC(C)NCCN(C(C)C)C(C)C,"InChI=1/C11H26N2/c1-9(2)12-7-8-13(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3",C11H26N2,,,,,,NBRDOTCCPKGGCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.332,202-564-5,97-17-6,Dichlofenthion,"O-(2,4-dichlorophenyl) O,O-diethyl thiophosphate",CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl,CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl,"InChI=1/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3",C10H13Cl2O3PS,,,,,,WGOWCPGHOCIHBW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.333,202-565-0,97-18-7,Bithionol,"2,2'-sulfanediylbis(4,6-dichlorophenol)",Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O,Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O,"InChI=1/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",C12H6Cl4O2S,,,,,,JFIOVJDNOJYLKP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.334,202-566-6,97-20-1,3-diethylaminobenzoic acid,3-(diethylamino)benzoic acid,CCN(CC)c1cccc(c1)C(=O)O,CCN(CC)c1cccc(c1)C(=O)O,"InChI=1/C11H15NO2/c1-3-12(4-2)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)",C10H15NO3S,,,,,,FNCRWFSUYPEDSM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.335,202-567-1,97-23-4,Dichlorophen,"2,2'-methylenebis(4-chlorophenol)",Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O,Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O,"InChI=1/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2",C13H10Cl2O2,,,,,,MDNWOSOZYLHTCG-UHFFFAOYSA-N,Negative,,,,,,mzcloud:3160,[M-H]-,HCD_Averaged,91.01893:126.99561:231.0216,HighChem
100.002.338,202-570-8,97-29-0,"4,4'-thiodiresorcinol","4,4'-sulfanediyldibenzene-1,3-diol",Oc1ccc(Sc2ccc(O)cc2O)c(O)c1,Oc1ccc(Sc2ccc(O)cc2O)c(O)c1,"InChI=1/C12H10O4S/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,13-16H",C12H10O4S,,,,,,WEMYXYMZQRSPIA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.342,202-575-5,97-35-8,"3-amino-N,N-diethyl-4-methoxybenzenesulphonamide","3-amino-N,N-diethyl-4-methoxybenzenesulfonamide",CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1,CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1,"InChI=1/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3",C11H18N2O3S,,,,,,WBGVVXSCGNGJFL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.934,202-126-3,92-11-5,"3-(N-ethyl-m-toluidino)propane-1,2-diol","3-[ethyl(3-methylphenyl)amino]propane-1,2-diol",CCN(CC(O)CO)c1cccc(C)c1,CCN(CC(O)CO)c1cccc(C)c1,"InChI=1/C12H19NO2/c1-3-13(8-12(15)9-14)11-6-4-5-10(2)7-11/h4-7,12,14-15H,3,8-9H2,1-2H3",C12H19NO2,,,,,,SJLAXYZNPAEOOM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.936,202-128-4,92-13-7,Pilocarpine,3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one,CC[C@H]1[C@@H](Cc2cncn2C)COC1=O,CC[C@H]1[C@@H](Cc2cncn2C)COC1=O,"InChI=1/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3",C11H16N2O2,,,,,,QCHFTSOMWOSFHM-WPRPVWTQSA-N,,,,,,,,,,,
100.001.941,202-134-7,92-18-2,"N,N-diethyl-m-anisidine","N,N-diethyl-3-methoxyaniline",CCN(CC)c1cccc(OC)c1,CCN(CC)c1cccc(OC)c1,"InChI=1/C11H17NO/c1-4-12(5-2)10-7-6-8-11(9-10)13-3/h6-9H,4-5H2,1-3H3",C11H17NO,,,,,,KGFAREHEJGDILZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.944,202-137-3,92-22-8,"2',5'-diethoxybenzanilide","N-(2,5-diethoxyphenyl)benzamide",CCOc1ccc(OCC)c(NC(=O)c2ccccc2)c1,CCOc1ccc(OCC)c(NC(=O)c2ccccc2)c1,"InChI=1/C17H19NO3/c1-3-20-14-10-11-16(21-4-2)15(12-14)18-17(19)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,18,19)",C17H19NO3,,,,,,OEZDYMAFWLGKFC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.949,202-143-6,92-28-4,"3-aminonaphthalene-2,7-disulphonic acid","3-aminonaphthalene-2,7-disulfonic acid",Nc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,Nc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,UCTREIIEJSFTDI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.953,202-147-8,92-32-0,"3,6-bis(dimethylamino)xanthylium chloride","3,6-bis(dimethylamino)xanthenium chloride",[Cl-].CN(C)c1ccc2cc3ccc(cc3[o+]c2c1)N(C)C,[Cl-].CN(C)c1ccc2cc3ccc(cc3[o+]c2c1)N(C)C,"InChI=1/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1",C17H19N2O.Cl,,,,,,INCIMLINXXICKS-UHFFFAOYSA-M,,,,,,,,,,,
100.001.955,202-149-9,92-35-3,"2-(2,7-dimethyl-5H-thiazolo[3',2':1,2]pyrimido[4,5-d]pyrimidin-8-yl)ethanol","2-(2,7-dimethyl-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl)ethanol",CC1=C(CCO)SC2=Nc3nc(C)ncc3CN12,CC1=C(CCO)SC2=Nc3nc(C)ncc3CN12,"InChI=1/C12H14N4OS/c1-7-10(3-4-17)18-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,17H,3-4,6H2,1-2H3",C12H14N4OS,,,,,,GTQXMAIXVFLYKF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.957,202-152-5,92-39-7,2-chlorophenothiazine,2-chloro-10H-phenothiazine,Clc1ccc2Sc3ccccc3Nc2c1,Clc1ccc2Sc3ccccc3Nc2c1,"InChI=1/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H",C12H8ClNS,,,,,,KFZGLJSYQXZIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.959,202-154-6,92-41-1,"Naphthalene-2,7-disulphonic acid","naphthalene-2,7-disulfonic acid",OS(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)O,OS(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)O,"InChI=1/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)",C10H8O6S2,,,,,,VILFVXYKHXVYAB-UHFFFAOYSA-N,Negative,,,,,,SM867751;EA065451|EA065461,[M-H]-;[M-H]-,HCD35;CID35|HCD60,286.969:207.0122:143.0503;207.012|207.0118,CASMI_2016;Eawag
100.001.645,201-809-3,88-20-0,Toluene-2-sulphonic acid,2-methylbenzenesulfonic acid,Cc1ccccc1S(=O)(=O)O,Cc1ccccc1S(=O)(=O)O,"InChI=1/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",C7H8O3S,,,,,,LBLYYCQCTBFVLH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.649,201-814-0,88-24-4,"6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol","2,2'-methylenebis(6-tert-butyl-4-ethylphenol)",CCc1cc(Cc2cc(CC)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,CCc1cc(Cc2cc(CC)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,"InChI=1/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3",C25H36O2,,,,,,GPNYZBKIGXGYNU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.652,201-817-7,88-29-9,"7-acetyl-6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene","1-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone",CCc1cc2c(cc1C(=O)C)C(C)(C)CCC2(C)C,CCc1cc2c(cc1C(=O)C)C(C)(C)CCC2(C)C,"InChI=1/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3",C18H26O,,,,,,KSEZPRJUTHMFGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.655,201-820-3,88-32-4,3-tert-butyl-4-methoxyphenol,3-tert-butyl-4-methoxyphenol,COc1ccc(O)cc1C(C)(C)C,COc1ccc(O)cc1C(C)(C)C,"InChI=1/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3",C11H16O2,,,,,,IMOYOUMVYICGCA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.658,201-824-5,88-35-7,2-anilino-5-nitrobenzenesulphonic acid,2-anilino-5-nitrobenzenesulfonic acid,OS(=O)(=O)c1cc(ccc1Nc2ccccc2)[N+](=O)[O-],OS(=O)(=O)c1cc(ccc1Nc2ccccc2)[N+](=O)[O-],"InChI=1/C12H10N2O5S/c15-14(16)10-6-7-11(12(8-10)20(17,18)19)13-9-4-2-1-3-5-9/h1-8,13H,(H,17,18,19)",C12H10N2O5S,,,,,,NEPCHOJJTQMEKY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.660,201-826-6,88-39-1,"4-formylbenzene-1,3-disulphonic acid","4-formylbenzene-1,3-disulfonic acid",OS(=O)(=O)c1ccc(C=O)c(c1)S(=O)(=O)O,OS(=O)(=O)c1ccc(C=O)c(c1)S(=O)(=O)O,"InChI=1/C7H6O7S2/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14/h1-4H,(H,9,10,11)(H,12,13,14)",C7H6O7S2,,,,,,PQYVGRGYAZDHFY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.662,201-828-7,88-41-5,2-tert-butylcyclohexyl acetate,2-tert-butylcyclohexyl acetate,CC(=O)OC1CCCCC1C(C)(C)C,CC(=O)OC1CCCCC1C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,,,,,,FINOAUDUYKVGDS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.260,201-384-4,81-90-3,"a,a-bis(4-hydroxyphenyl)-o-toluic acid",2-[bis(4-hydroxyphenyl)methyl]benzoic acid,OC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,OC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,"InChI=1/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)",C20H16O4,,,,,,FFFPYJTVNSSLBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.264,201-389-1,81-95-8,"3,3'-thiobis[7H-benz[de]anthracen-7-one]","3,3'-sulfanediylbis(7H-benzo[de]anthracen-7-one)",O=C1c2ccccc2c3ccc(Sc4ccc5c6ccccc6C(=O)c7cccc4c57)c8cccc1c38,O=C1c2ccccc2c3ccc(Sc4ccc5c6ccccc6C(=O)c7cccc4c57)c8cccc1c38,InChI=1/C34H18O2S/c35-33-23-9-3-1-7-19(23)21-15-17-29(25-11-5-13-27(33)31(21)25)37-30-18-16-22-20-8-2-4-10-24(20)34(36)28-14-6-12-26(30)32(22)28/h1-18H,C34H18O2S,,,,,,LCZJUUYGFMLYCS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.266,201-391-2,81-98-1,"3,9-dibromo-7H-benz[de]anthracen-7-one","3,9-dibromo-7H-benzo[de]anthracen-7-one",Brc1ccc2c(c1)C(=O)c3cccc4c(Br)ccc2c34,Brc1ccc2c(c1)C(=O)c3cccc4c(Br)ccc2c34,InChI=1/C17H8Br2O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9/h1-8H,C17H8Br2O,,,,,,XBZKJGBIPSQKAU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.276,201-403-6,82-20-2,"1,5-bis(4-methylphenyl)amino]anthraquinone","1,5-bis[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(C)cc5)cccc4C(=O)c23)cc1,Cc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(C)cc5)cccc4C(=O)c23)cc1,"InChI=1/C28H22N2O2/c1-17-9-13-19(14-10-17)29-23-7-3-5-21-25(23)27(31)22-6-4-8-24(26(22)28(21)32)30-20-15-11-18(2)12-16-20/h3-16,29-30H,1-2H3",C28H22N2O2,,,,,,ZKIVUFFTMWIBCO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.286,201-414-6,82-35-9,"1,5-dinitroanthraquinone","1,5-dinitro-9,10-anthraquinone",[O-][N+](=O)c1cccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,[O-][N+](=O)c1cccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,InChI=1/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)8-4-2-6-10(12(8)13)16(21)22/h1-6H,C14H6N2O6,,,,,,XVMVHWDCRFNPQR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.288,201-416-7,82-37-1,"9,10-dihydro-9,10-dioxoanthracenediazonium hydrogen sulphate","9,10-dioxo-9,10-dihydroanthracene-1-diazonium hydrogen sulfate",[O-]S(=O)(=O)[O-].O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,[O-]S(=O)(=O)[O-].O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,"InChI=1/C14H7N2O2.H2O4S/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;1-5(2,3)4/h1-7H;(H2,1,2,3,4)/q+1;/p-2",C14H7N2O2.HO4S,,,,,,HUHDKWDLNBACFJ-UHFFFAOYSA-L,,,,,,,,,,,
100.001.289,201-417-2,82-38-2,1-(methylamino)anthraquinone,"1-(methylamino)-9,10-anthraquinone",CNc1cccc2C(=O)c3ccccc3C(=O)c12,CNc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C15H11NO2/c1-16-12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8,16H,1H3",C15H11NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18918,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.289,SVTDYSXXLJYUTM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.292,201-420-9,82-43-9,"1,8-dichloroanthraquinone","1,8-dichloro-9,10-anthraquinone",Clc1cccc2C(=O)c3cccc(Cl)c3C(=O)c12,Clc1cccc2C(=O)c3cccc(Cl)c3C(=O)c12,InChI=1/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H,C14H6Cl2O2,,,,,,VBQNYYXVDQUKIU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.785,200-863-5,75-34-3,"1,1-dichloroethane","1,1-dichloroethane",CC(Cl)Cl,CC(Cl)Cl,"InChI=1/C2H4Cl2/c1-2(3)4/h2H,1H3",C2H4Cl2,,,,,,SCYULBFZEHDVBN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.787,200-865-6,75-36-5,Acetyl chloride,acetyl chloride,CC(=O)Cl,CC(=O)Cl,InChI=1/C2H3ClO/c1-2(3)4/h1H3,C2H3ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13323,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.787,WETWJCDKMRHUPV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.792,200-870-3,75-44-5,Phosgene,phosgene,ClC(=O)Cl,ClC(=O)Cl,InChI=1/CCl2O/c2-1(3)4,CCl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10463,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.792,YGYAWVDWMABLBF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.794,200-872-4,75-46-7,Trifluoromethane,fluoroform,FC(F)F,FC(F)F,InChI=1/CHF3/c2-1(3)4/h1H,CHF3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5767,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.794,XPDWGBQVDMORPB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.798,200-877-1,75-54-7,Dichloro(methyl)silane,dichloro(methyl)silane,C[SiH](Cl)Cl,C[SiH](Cl)Cl,"InChI=1/CH4Cl2Si/c1-4(2)3/h4H,1H3",CH4Cl2Si,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15125,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.798,NWKBSEBOBPHMKL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.799,200-878-7,75-55-8,2-methylaziridine,2-methylaziridine,CC1CN1,CC1CN1,"InChI=1/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3",C3H7N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13279,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.799,OZDGMOYKSFPLSE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.809,200-889-7,75-65-0,2-methylpropan-2-ol,2-methylpropan-2-ol,CC(C)(C)O,CC(C)(C)O,"InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3",C4H10O,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14112,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.809,DKGAVHZHDRPRBM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.814,200-894-4,75-72-9,Chlorotrifluoromethane,chloro(trifluoro)methane,FC(F)(F)Cl,FC(F)(F)Cl,"InChI=1/CClF3/c2-1(3,4)5",CClF3,,,,,,AFYPFACVUDMOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.816,200-897-0,75-74-1,Tetramethyllead,tetramethylplumbane,C[Pb](C)(C)C,C[Pb](C)(C)C,"InChI=1/4CH3.Pb/h4*1H3;/rC4H12Pb/c1-5(2,3)4/h1-4H3",C4H12Pb,,,,,,XOOGZRUBTYCLHG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.822,200-903-1,75-80-9,"2,2,2-tribromoethanol","2,2,2-tribromoethanol",OCC(Br)(Br)Br,OCC(Br)(Br)Br,"InChI=1/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2",C2H3Br3O,,,,,,YFDSDPIBEUFTMI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.823,200-904-7,75-81-0,"1,2-dibromo-1,1-dichloroethane","1,2-dibromo-1,1-dichloroethane",ClC(Cl)(Br)CBr,ClC(Cl)(Br)CBr,"InChI=1/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2",C2H2Br2Cl2,,,,,,FIYBYNHDEOSJPL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.343,202-576-0,97-36-9,"2',4'-dimethylacetoacetanilide","N-(2,4-dimethylphenyl)-3-oxobutanimidic acid",Cc1cc(C)ccc1/N=C(/O)CC(C)=O,Cc1cc(C)ccc1/N=C(/O)CC(C)=O,"InChI=1/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)",C12H15NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14428,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.343,HGVIAKXYAZRSEG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.344,202-577-6,97-39-2,"1,3-di-o-tolylguanidine","1,3-bis(2-methylphenyl)guanidine",Cc1ccccc1NC(=N)Nc2ccccc2C,Cc1ccccc1NC(=N)Nc2ccccc2C,"InChI=1/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)",C15H17N3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12594,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.344,OPNUROKCUBTKLF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.347,202-580-2,97-42-7,"p-mentha-1(6),8-dien-2-yl acetate",5-isopropenyl-2-methylcyclohex-2-en-1-yl acetate,CC(=O)OC1CC(CC=C1C)C(=C)C,CC(=O)OC1CC(CC=C1C)C(=C)C,"InChI=1/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3",C12H18O2,,,,,,YTHRBOFHFYZBRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.348,202-581-8,97-43-8,"2-[(dimethylamino)methyl]-4-(1,1-dimethylethyl)phenol",4-tert-butyl-2-[(dimethylamino)methyl]phenol,CN(C)Cc1cc(ccc1O)C(C)(C)C,CN(C)Cc1cc(ccc1O)C(C)(C)C,"InChI=1/C13H21NO/c1-13(2,3)11-6-7-12(15)10(8-11)9-14(4)5/h6-8,15H,9H2,1-5H3",C13H21NO,,,,,,AOLMGCHTFOOEDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.349,202-582-3,97-44-9,Acetarsol,(3-acetamido-4-hydroxyphenyl)arsonic acid,CC(=O)Nc1cc(ccc1O)[As](=O)(O)O,CC(=O)Nc1cc(ccc1O)[As](=O)(O)O,"InChI=1/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)",C8H10AsNO5,,,,,,ODFJOVXVLFUVNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.850,200-934-0,76-11-9,"1,1,1,2-tetrachloro-2,2-difluoroethane","1,1,1,2-tetrachloro-2,2-difluoroethane",FC(F)(Cl)C(Cl)(Cl)Cl,FC(F)(Cl)C(Cl)(Cl)Cl,"InChI=1/C2Cl4F2/c3-1(4,5)2(6,7)8",C2Cl4F2,,,,,,SLGOCMATMKJJCE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.854,200-938-2,76-15-3,Chloropentafluoroethane,"1-chloro-1,1,2,2,2-pentafluoroethane",FC(F)(F)C(F)(F)Cl,FC(F)(F)C(F)(F)Cl,"InChI=1/C2ClF5/c3-1(4,5)2(6,7)8",C2ClF5,,,,,,RFCAUADVODFSLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.864,200-949-2,76-26-6,"[7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonic acid","(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid",CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,"InChI=1/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)",C10H16O4S,,,,,,MIOPJNTWMNEORI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.865,200-950-8,76-29-9,3-bromobornan-2-one,"3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC1(C)C(=O)C2Br,CC1(C)C2CCC1(C)C(=O)C2Br,"InChI=1/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3",C10H15BrO,,,,,,NJQADTYRAYFBJN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.871,200-957-6,76-39-1,2-methyl-2-nitropropan-1-ol,2-methyl-2-nitropropan-1-ol,CC(C)(CO)[N+](=O)[O-],CC(C)(CO)[N+](=O)[O-],"InChI=1/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3",C4H9NO3,,,,,,MVGJRISPEUZYAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.874,200-960-2,76-42-6,Oxycodone,"14-hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one",COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3",C18H21NO4,,,,,,BRUQQQPBMZOVGD-XFKAJCMBSA-N,,,,,,,,,,,
100.000.876,200-962-3,76-44-8,Heptachlor,"1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene",ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,"InChI=1/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H",C10H5Cl7,,,,,,FRCCEHPWNOQAEU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.882,200-969-1,76-57-3,Codeine,"3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",C18H21NO3,,,,,,OROGSEYTTFOCAN-DNJOTXNNSA-N,Positive,AU162301|AU162302|AU162303|AU162304|AU162305;EA278001|EA278002|EA278003|EA278004|EA278005|EA278006|EA278007|EA278008|EA278009|EA278010|EA278011|EA278012|EA278013|EA278014,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,300.1615:301.1647:302.1669|300.1617:301.165:243.1026|300.1621:301.1651:215.1084|199.0764:165.0707:300.1613|165.0709:153.0706:181.0662;215.1066:243.1015:225.0909|300.1593|300.1592:243.1015:215.1071|300.1595:215.1067:243.1015|300.1599:215.1067:199.0754|165.0699:199.0753:181.0648|165.0698:153.0698:181.0647|300.1591|300.1592:243.1014:282.149|300.1593:215.1066:243.1015|300.1591:215.1065:199.0752|165.0698:199.0753:181.0647|165.0698:153.0697:181.0647|215.1066:243.1015:225.0909,Athens_Univ;Eawag,,,,,
100.000.885,200-972-8,76-60-8,Bromocresol green,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol)",Cc1c(Br)c(O)c(Br)cc1C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4C,Cc1c(Br)c(O)c(Br)cc1C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4C,"InChI=1/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3",C21H14Br4O5S,,,,,,FRPHFZCDPYBUAU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.887,200-974-9,76-62-0,"3,3-bis(3,5-dibromo-4-hydroxyphenyl)phthalide","3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1(3H)-one",Oc1c(Br)cc(cc1Br)C2(OC(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,Oc1c(Br)cc(cc1Br)C2(OC(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,"InChI=1/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H",C20H10Br4O4,,,,,,OBRGVMYQZVQHGO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.899,200-988-5,76-84-6,Triphenylmethanol,triphenylmethanol,OC(c1ccccc1)(c2ccccc2)c3ccccc3,OC(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H",C19H16O,,,,,,LZTRCELOJRDYMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.670,201-837-6,88-51-7,4-amino-6-chlorotoluene-3-sulphonic acid,2-amino-4-chloro-5-methylbenzenesulfonic acid,Cc1cc(c(N)cc1Cl)S(=O)(=O)O,Cc1cc(c(N)cc1Cl)S(=O)(=O)O,"InChI=1/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12)",C7H8ClNO3S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7840,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.670,VRLPHBSFRWMMPW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.671,201-838-1,88-52-8,"4,6-diaminotoluene-3-sulphonic acid","2,4-diamino-5-methylbenzenesulfonic acid",Cc1cc(c(N)cc1N)S(=O)(=O)O,Cc1cc(c(N)cc1N)S(=O)(=O)O,"InChI=1/C7H10N2O3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,8-9H2,1H3,(H,10,11,12)",C7H10N2O3S,,,,,,XAQCYASNAMYTQA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.674,201-841-8,88-58-4,"2,5-di-tert-butylhydroquinone","2,5-di-tert-butylbenzene-1,4-diol",CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C,CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C,"InChI=1/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3",C14H22O2,,,,,,JZODKRWQWUWGCD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.678,201-846-5,88-63-1,"2,4-diaminobenzenesulphonic acid","2,4-diaminobenzenesulfonic acid",Nc1ccc(c(N)c1)S(=O)(=O)O,Nc1ccc(c(N)c1)S(=O)(=O)O,"InChI=1/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)",C6H8N2O3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17689,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.678,JVMSQRAXNZPDHF-UHFFFAOYSA-N,Negative,,,,,,SM809756;SM865753,[M-H]-;[M-H]-,HCD35;HCD35,187.0183;187.0183:123.0559:129.0103,CASMI_2016;CASMI_2016
100.001.683,201-851-2,88-68-6,Anthranilamide,2-aminobenzamide,NC(=O)c1ccccc1N,NC(=O)c1ccccc1N,"InChI=1/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)",C7H8N2O,,,,,,PXBFMLJZNCDSMP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.684,201-852-8,88-69-7,2-isopropylphenol,2-isopropylphenol,CC(C)c1ccccc1O,CC(C)c1ccccc1O,"InChI=1/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3",C9H12O,,,,,,CRBJBYGJVIBWIY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.685,201-853-3,88-72-2,2-nitrotoluene,1-methyl-2-nitrobenzene,Cc1ccccc1[N+](=O)[O-],Cc1ccccc1[N+](=O)[O-],"InChI=1/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",C7H7NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13637,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.685,PLAZTCDQAHEYBI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.692,201-861-7,88-85-7,Dinoseb,"2-sec-butyl-4,6-dinitrophenol",CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3",C10H12N2O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12446,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.692,OWZPCEFYPSAJFR-UHFFFAOYSA-N,Negative,,,,,,SM818656;EA025751|EA025752|EA025753|EA025754|EA025755|EA025756|EA025757|EA025758|EA025759|EA025760|EA025761|EA025762|EA025763|EA025764,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,239.0674:194.0459:193.0255;194.046:222.0646:239.0673|239.0674|239.0673:194.0466:222.0652|239.0673:194.0458:193.0255|193.0252:194.0458:239.0675|193.0254:194.0453:192.0664|134.0247:193.0257:176.0354|239.0673|239.0673:194.0458|239.0672:194.0457:193.0253|193.0253:194.0456:239.0673|193.0253:194.0457:192.0663|134.0246:193.0252:162.0195|194.0459:222.0644:221.0566,CASMI_2016;Eawag
100.001.703,201-873-2,88-99-3,Phthalic acid,phthalic acid,OC(=O)c1ccccc1C(=O)O,OC(=O)c1ccccc1C(=O)O,"InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)",C8H6O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10004,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.703,XNGIFLGASWRNHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.717,201-888-4,89-23-6,3-(4-hydroxyphenyl)-2-phenylpropionic acid,3-(4-hydroxyphenyl)-2-phenylpropanoic acid,OC(=O)C(Cc1ccc(O)cc1)c2ccccc2,OC(=O)C(Cc1ccc(O)cc1)c2ccccc2,"InChI=1/C15H14O3/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14,16H,10H2,(H,17,18)",C15H14O3,,,,,,GRCCNKUXWQWOKS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.718,201-890-5,89-24-7,5-phenylhydantoin,"5-phenylimidazolidine-2,4-dione",O=C1NC(C(=O)N1)c2ccccc2,O=C1NC(C(=O)N1)c2ccccc2,"InChI=1/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)",C9H8N2O2,,,,,,NXQJDVBMMRCKQG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.721,201-893-1,89-27-0,"4,5-dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid","1-(3-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1)c2cccc(c2)[N+](=O)[O-],OC(=O)C1=NN(C(=O)C1)c2cccc(c2)[N+](=O)[O-],"InChI=1/C10H7N3O5/c14-9-5-8(10(15)16)11-12(9)6-2-1-3-7(4-6)13(17)18/h1-4H,5H2,(H,15,16)",C10H7N3O5,,,,,,KAUQEIRKYADRME-UHFFFAOYSA-N,,,,,,,,,,,
100.001.727,201-899-4,89-33-8,Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate,"ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",CCOC(=O)C1=NN(C(=O)C1)c2ccccc2,CCOC(=O)C1=NN(C(=O)C1)c2ccccc2,"InChI=1/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C12H12N2O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6994,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.727,WBFXQKNQVZMOSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.728,201-900-8,89-35-0,"3,5-dihydroxy-2-naphthoic acid","3,5-dihydroxy-2-naphthoic acid",OC(=O)c1cc2cccc(O)c2cc1O,OC(=O)c1cc2cccc(O)c2cc1O,"InChI=1/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)",C11H8O4,,,,,,YELLAPKUWRTITI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.729,201-901-3,89-36-1,4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid,"4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)",C10H10N2O4S,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7480,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.729,CWJQQASJVVAXKL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.730,201-902-9,89-37-2,"2,4-dinitrophenyl dimethyldithiocarbamate","2,4-dinitrophenyl dimethyldithiocarbamate",CN(C)C(=S)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CN(C)C(=S)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C9H9N3O4S2/c1-10(2)9(17)18-8-4-3-6(11(13)14)5-7(8)12(15)16/h3-5H,1-2H3",C9H9N3O4S2,,,,,,AIWZJEMZVHJAQB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.745,201-919-1,89-57-6,5-aminosalicylic acid,5-amino-2-hydroxybenzoic acid,Nc1ccc(O)c(c1)C(=O)O,Nc1ccc(O)c(c1)C(=O)O,"InChI=1/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)",C7H7NO3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5887,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.745,KBOPZPXVLCULAV-UHFFFAOYSA-N,Positive,SM862104,[M+H]+,HCD35,136.0392:154.0498:108.0443,CASMI_2016,,,,,
100.000.824,200-905-2,75-82-1,"1,2-dibromo-1,1-difluoroethane","1,2-dibromo-1,1-difluoroethane",FC(F)(Br)CBr,FC(F)(Br)CBr,"InChI=1/C2H2Br2F2/c3-1-2(4,5)6/h1H2",C2H2Br2F2,,,,,,DPOZWTRVXPUOQW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.826,200-907-3,75-84-3,"2,2-dimethylpropanol","2,2-dimethylpropan-1-ol",CC(C)(C)CO,CC(C)(C)CO,"InChI=1/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3",C5H12O,,,,,,KPSSIOMAKSHJJG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.829,200-911-5,75-87-6,Trichloroacetaldehyde,trichloroacetaldehyde,ClC(Cl)(Cl)C=O,ClC(Cl)(Cl)C=O,"InChI=1/C2HCl3O/c3-2(4,5)1-6/h1H",C2HCl3O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17495,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.829,HFFLGKNGCAIQMO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.830,200-912-0,75-88-7,"Chloro-1,1,1-trifluoroethane","2-chloro-1,1,1-trifluoroethane",FC(F)(F)CCl,FC(F)(F)CCl,"InChI=1/C2H2ClF3/c3-1-2(4,5)6/h1H2",C2H2ClF3,,,,,,CYXIKYKBLDZZNW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.298,201-427-7,82-49-5,"9,10-dioxoanthracene-1-sulphonic acid","9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid",OS(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,OS(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8O5S/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19/h1-7H,(H,17,18,19)",C14H8O5S,,,,,,JAJIPIAHCFBEPI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.300,201-429-8,82-54-2,Cotarnine,"4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ol",COc1c2OCOc2cc3CCN(C)C(O)c13,COc1c2OCOc2cc3CCN(C)C(O)c13,"InChI=1/C12H15NO4/c1-13-4-3-7-5-8-10(17-6-16-8)11(15-2)9(7)12(13)14/h5,12,14H,3-4,6H2,1-2H3",C12H15NO4,,,,,,PAPMYQLKLNRZIR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.307,201-437-1,82-75-7,8-aminonaphthalene-1-sulphonic acid,8-aminonaphthalene-1-sulfonic acid,Nc1cccc2cccc(c12)S(=O)(=O)O,Nc1cccc2cccc(c12)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18571,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.307,CYJJLCDCWVZEDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.313,201-443-4,82-88-2,Phenindamine,"2-methyl-9-phenyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine",CN1CCC2=C(C1)C(c3ccccc3)c4ccccc24,CN1CCC2=C(C1)C(c3ccccc3)c4ccccc24,"InChI=1/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3",C19H19N,,,,,,ISFHAYSTHMVOJR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.314,201-445-5,82-92-8,Cyclizine,1-(diphenylmethyl)-4-methylpiperazine,CN1CCN(CC1)C(c2ccccc2)c3ccccc3,CN1CCN(CC1)C(c2ccccc2)c3ccccc3,"InChI=1/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3",C18H22N2,,,,,,UVKZSORBKUEBAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.320,201-451-8,83-05-6,Bis(p-chlorophenyl)acetic acid,bis(4-chlorophenyl)acetic acid,OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)",C14H10Cl2O2,,,,,,YIOCIFXUGBYCJR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.322,201-453-9,83-08-9,"2-(2-quinolyl)-1H-indene-1,3(2H)-dione","2-quinolin-2-yl-1H-indene-1,3(2H)-dione",O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,"InChI=1/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H",C18H11NO2,,,,,,IZMJMCDDWKSTTK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.325,201-457-0,83-15-8,"N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)acetamide","N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide",CN1N(C(=O)C(=C1C)NC(=O)C)c2ccccc2,CN1N(C(=O)C(=C1C)NC(=O)C)c2ccccc2,"InChI=1/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)",C13H15N3O2,,,,,,OIAGWXKSCXPNNZ-UHFFFAOYSA-N,Positive,AU200101|AU200102|AU200103|AU200104|AU200105;EA023601|EA023602|EA023603|EA023604|EA023605|EA023606|EA023607|EA023608|EA023609|EA023610|EA023611|EA023612|EA023613|EA023614;UF408201|UF408202|UF408203|UF408204,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,246.1235:228.1127:204.1124|228.1127:204.1124:229.1155|159.0906:228.1122:204.1122|172.0616:145.0749:171.0537|144.0794:143.0588:171.0539;228.1135:204.1133:56.0492|246.124:228.1131:204.1131|228.1134:204.1133:246.1241|228.1133:83.0605:104.0496|83.0605:104.0496:56.0495|83.0604:104.0495:56.0495|83.0605:104.0495:56.0495|246.1239:228.1133:204.1132|228.1134:204.1134:246.1239|228.1134:83.0605:204.1133|83.0604:104.0495:56.0495|83.0604:104.0495:56.0495|83.0604:104.0495:56.0495|228.1134:204.1134:104.0491;83.0604:104.0495:228.1133|83.0604:104.0495:77.0386|228.1131:204.1133:127.0864|228.1132:204.1133:104.0491,Athens_Univ;Eawag;UFZ,,,,,
100.001.329,201-461-2,83-24-9,"2,5-dimethyl-1-phenyl-1H-pyrrole","2,5-dimethyl-1-phenyl-1H-pyrrole",Cc1ccc(C)n1c2ccccc2,Cc1ccc(C)n1c2ccccc2,"InChI=1/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3",C12H13N,,,,,,JNXIFVSGXLGULI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.335,201-468-0,83-31-8,"Naphthalene-1,8-sultone","naphtho[1,8-cd][1,2]oxathiole 2,2-dioxide",O=S1(=O)Oc2cccc3cccc1c23,O=S1(=O)Oc2cccc3cccc1c23,InChI=1/C10H6O3S/c11-14(12)9-6-2-4-7-3-1-5-8(13-14)10(7)9/h1-6H,C10H6O3S,,,,,,IEIADDVJUYQKAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.340,201-473-8,83-40-9,Hydroxytoluic acid,2-hydroxy-3-methylbenzoic acid,Cc1cccc(C(=O)O)c1O,Cc1cccc(C(=O)O)c1O,"InChI=1/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)",C8H8O3,,,,,,WHSXTWFYRGOBGO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.342,201-475-9,83-42-1,2-chloro-6-nitrotoluene,1-chloro-2-methyl-3-nitrobenzene,Cc1c(Cl)cccc1[N+](=O)[O-],Cc1c(Cl)cccc1[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3",C7H6ClNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10549,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.342,XCSNRORTQRKCHB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.345,201-479-0,83-45-4,"(3ß,5a)-stigmastan-3-ol",stigmastan-3-ol,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3",C29H52O,,,,,,LGJMUZUPVCAVPU-HRJGVYIJSA-N,,,,,,,,,,,
100.000.910,201-000-5,77-04-3,Pyrithyldione,"3,3-diethylpyridine-2,4(1H,3H)-dione",CCC1(CC)C(=O)NC=CC1=O,CCC1(CC)C(=O)NC=CC1=O,"InChI=1/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)",C9H13NO2,,,,,,NZASCBIBXNPDMH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.919,201-009-4,77-19-0,Dicycloverine,"2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate",CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,"InChI=1/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3",C19H35NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17177,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.919,CURUTKGFNZGFSE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.920,201-011-5,77-20-3,Alphaprodine,"1,3-dimethyl-4-phenylpiperidin-4-yl propionate",C[C@H]1CN(C)CC[C@]1(OC(=O)CC)c2ccccc2,C[C@H]1CN(C)CC[C@]1(OC(=O)CC)c2ccccc2,"InChI=1/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3",C16H23NO2,,,,,,UVAZQQHAVMNMHE-XJKSGUPXSA-N,,,,,,,,,,,
100.000.924,201-015-7,77-24-7,Diethyl ethylisopentylmalonate,diethyl ethyl(3-methylbutyl)malonate,CCOC(=O)C(CC)(CCC(C)C)C(=O)OCC,CCOC(=O)C(CC)(CCC(C)C)C(=O)OCC,"InChI=1/C14H26O4/c1-6-14(10-9-11(4)5,12(15)17-7-2)13(16)18-8-3/h11H,6-10H2,1-5H3",C14H26O4,,,,,,BSPKCYBRFKQSDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.925,201-016-2,77-25-8,Diethyl diethylmalonate,diethyl diethylmalonate,CCOC(=O)C(CC)(CC)C(=O)OCC,CCOC(=O)C(CC)(CC)C(=O)OCC,"InChI=1/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3",C11H20O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18889,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.925,ZKBBUZRGPULIRN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.926,201-017-8,77-26-9,Butalbital,"5-allyl-5-isobutylpyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",C11H16N2O3,,,,,,UZVHFVZFNXBMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.928,201-019-9,77-28-1,5-butyl-5-ethylbarbituric acid,"5-butyl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCCCC1(CC)C(=O)NC(=O)NC1=O,CCCCC1(CC)C(=O)NC(=O)NC1=O,"InChI=1/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",C10H16N2O3,,,,,,STDBAQMTJLUMFW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.933,201-025-1,77-40-7,"4,4'-(1-methylpropylidene)bisphenol","4,4'-butane-2,2-diyldiphenol",CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3",C16H18O2,,,,,,HTVITOHKHWFJKO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.934,201-026-7,77-41-8,Mesuximide,"1,3-dimethyl-3-phenylpyrrolidine-2,5-dione",CN1C(=O)CC(C)(C1=O)c2ccccc2,CN1C(=O)CC(C)(C1=O)c2ccccc2,"InChI=1/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3",C12H13NO2,,,,,,AJXPJJZHWIXJCJ-UHFFFAOYSA-N,Positive,EQ328501|EQ328502|EQ328503|EQ328504|EQ328505|EQ328506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,204.102:119.0855:126.0549|204.102:119.0855:126.0549|119.0855:204.102:69.0335|119.0855:91.0542:58.0288|91.0542:58.0288:119.0856|91.0542:58.0288:79.0543,Eawag,,,,,
100.000.937,201-029-3,77-47-4,Hexachlorocyclopentadiene,"1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene",ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,"InChI=1/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8",C5Cl6,,,,,,VUNCWTMEJYMOOR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.940,201-033-5,77-51-0,Isoaminile,4-(dimethylamino)-2-isopropyl-2-phenylpentanenitrile,CC(C)C(CC(C)N(C)C)(C#N)c1ccccc1,CC(C)C(CC(C)N(C)C)(C#N)c1ccccc1,"InChI=1/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3",C16H24N2,,,,,,WFLSCFISQHLEED-UHFFFAOYSA-N,,,,,,,,,,,
100.000.946,201-039-8,77-58-7,Dibutyltin dilaurate,dibutyltin dilaurate,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC,"InChI=1/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/r2C12H24O2.C8H18Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-9-8-6-4-2/h2*2-11H2,1H3,(H,13,14);3-8H2,1-2H3/q;;+2/p-2",C32H64O4Sn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14904,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.946,UKLDJPRMSDWDSL-UHFFFAOYSA-L,,,,,,,,,,,
100.000.947,201-040-3,77-59-8,Tomatidine,spirosolan-3-ol,C[C@H]1CC[C@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,C[C@H]1CC[C@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,"InChI=1/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3",C27H45NO2,,,,,,XYNPYHXGMWJBLV-VXPJTDKGSA-N,,,,,,,,,,,
100.000.949,201-042-4,77-61-2,"6-(1-methylcyclohexyl)-2,4-xylenol","2,4-dimethyl-6-(1-methylcyclohexyl)phenol",Cc1cc(C)c(O)c(c1)C2(C)CCCCC2,Cc1cc(C)c(O)c(c1)C2(C)CCCCC2,"InChI=1/C15H22O/c1-11-9-12(2)14(16)13(10-11)15(3)7-5-4-6-8-15/h9-10,16H,4-8H2,1-3H3",C15H22O,,,,,,MXSKJYLPNPYQHH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.950,201-044-5,77-62-3,"2,2'-methylenebis[6-(1-methylcyclohexyl)-p-cresol]","2,2'-methylenebis[4-methyl-6-(1-methylcyclohexyl)phenol]",Cc1cc(Cc2cc(C)cc(c2O)C3(C)CCCCC3)c(O)c(c1)C4(C)CCCCC4,Cc1cc(Cc2cc(C)cc(c2O)C3(C)CCCCC3)c(O)c(c1)C4(C)CCCCC4,"InChI=1/C29H40O2/c1-20-15-22(26(30)24(17-20)28(3)11-7-5-8-12-28)19-23-16-21(2)18-25(27(23)31)29(4)13-9-6-10-14-29/h15-18,30-31H,5-14,19H2,1-4H3",C29H40O2,,,,,,PHXLONCQBNATSL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.752,201-927-5,89-64-5,4-chloro-2-nitrophenol,4-chloro-2-nitrophenol,Oc1ccc(Cl)cc1[N+](=O)[O-],Oc1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H",C6H4ClNO3,,,,,,NWSIFTLPLKCTSX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.758,201-933-8,89-72-5,2-sec-butylphenol,2-sec-butylphenol,CCC(C)c1ccccc1O,CCC(C)c1ccccc1O,"InChI=1/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3",C10H14O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12476,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.758,NGFPWHGISWUQOI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.761,201-936-4,89-75-8,"2,4-dichlorobenzoyl chloride","2,4-dichlorobenzoyl chloride",ClC(=O)c1ccc(Cl)cc1Cl,ClC(=O)c1ccc(Cl)cc1Cl,InChI=1/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,C7H3Cl3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5926,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.761,CEOCVKWBUWKBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.767,201-943-2,89-82-7,p-menth-4(8)-en-3-one,2-isopropylidene-5-methylcyclohexanone,CC1CCC(=C(C)C)C(=O)C1,CC1CCC(=C(C)C)C(=O)C1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3",C10H16O,,,,,,NZGWDASTMWDZIW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.769,201-945-3,89-84-9,"2',4'-dihydroxyacetophenone","1-(2,4-dihydroxyphenyl)ethanone",CC(=O)c1ccc(O)cc1O,CC(=O)c1ccc(O)cc1O,"InChI=1/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3",C8H8O3,,,,,,SULYEHHGGXARJS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.774,201-951-6,89-92-9,a-bromo-o-xylene,1-(bromomethyl)-2-methylbenzene,Cc1ccccc1CBr,Cc1ccccc1CBr,"InChI=1/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3",C8H9Br,,,,,,WGVYCXYGPNNUQA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.775,201-952-1,89-93-0,2-methylbenzylamine,1-(2-methylphenyl)methanamine,Cc1ccccc1CN,Cc1ccccc1CN,"InChI=1/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3",C8H11N,,,,,,CJAAPVQEZPAQNI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.776,201-953-7,89-94-1,6-methylcyclohex-3-enecarbaldehyde,6-methylcyclohex-3-ene-1-carbaldehyde,CC1CC=CCC1C=O,CC1CC=CCC1C=O,"InChI=1/C8H12O/c1-7-4-2-3-5-8(7)6-9/h2-3,6-8H,4-5H2,1H3",C8H12O,,,,,,BOPCAWBPVSVBMM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.779,201-956-3,89-98-5,2-chlorobenzaldehyde,2-chlorobenzaldehyde,Clc1ccccc1C=O,Clc1ccccc1C=O,InChI=1/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H,C7H5ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6301,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.779,FPYUJUBAXZAQNL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.784,201-962-6,90-03-9,2-chloromercuriophenol,chloro(2-hydroxyphenyl)mercury,Cl[Hg]C=1/C=C\\C=C/C=1O,Cl[Hg]C=1/C=C\C=C/C=1O,"InChI=1/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1/rC6H5ClHgO/c7-8-5-3-1-2-4-6(5)9/h1-4,9H",C6H5ClHgO,,,,,,GABVDWALKPAUEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.001.785,201-963-1,90-04-0,o-anisidine,2-methoxyaniline,COc1ccccc1N,COc1ccccc1N,"InChI=1/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3",C7H9NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13498,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.785,VMPITZXILSNTON-UHFFFAOYSA-N,,,,,,,,,,,
100.001.787,201-965-2,90-11-9,1-bromonaphthalene,1-bromonaphthalene,Brc1cccc2ccccc12,Brc1cccc2ccccc12,InChI=1/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C10H7Br,,,,,,DLKQHBOKULLWDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.791,201-969-4,90-15-3,1-naphthol,1-naphthol,Oc1cccc2ccccc12,Oc1cccc2ccccc12,"InChI=1/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",C10H8O,,,,,,KJCVRFUGPWSIIH-UHFFFAOYSA-N,Positive/Negative,UA004601|UA004603,[M+H]+,CID35|CID35,117.0698:155.0601|117.0697:155.0604:145.0647,UFZ_Additional_Specs,UA004604,[M-H]-,CID35,143.0502,UFZ_Additional_Specs
100.001.792,201-971-5,90-16-4,"1,2,3-benzotriazin-4(1H)-one","1,2,3-benzotriazin-4(1H)-one",O=C1N=NNc2ccccc12,O=C1N=NNc2ccccc12,"InChI=1/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)",C7H5N3O,,,,,,DMSSTTLDFWKBSX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.794,201-973-6,90-18-6,"2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-benzopyrone","2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one",OC1=C(Oc2cc(O)c(O)c(O)c2C1=O)c3ccc(O)c(O)c3,OC1=C(Oc2cc(O)c(O)c(O)c2C1=O)c3ccc(O)c(O)c3,"InChI=1/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H",C15H10O8,,,,,,ZVOLCUVKHLEPEV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.799,201-978-3,90-24-4,"1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one","1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone",COc1cc(O)c(C(=O)C)c(OC)c1,COc1cc(O)c(C(=O)C)c(OC)c1,"InChI=1/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3",C10H12O4,,,,,,FBUBVLUPUDBFME-UHFFFAOYSA-N,,,,,,,,,,,
100.001.806,201-986-7,90-33-5,Hymecromone,7-hydroxy-4-methyl-2H-chromen-2-one,CC1=CC(=O)Oc2cc(O)ccc12,CC1=CC(=O)Oc2cc(O)ccc12,"InChI=1/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3",C10H8O3,,,,,,HSHNITRMYYLLCV-UHFFFAOYSA-N,Positive/Negative,UF419301|UF419302|UF419303|UF419304,[M+H]+,HCD55|HCD80|CID35|CID55,177.0551:105.0702:121.0652|121.0651:103.0545:177.055|177.0551:105.0701:133.0652|105.07:133.0651:121.065,UFZ,UF419351|UF419352|UF419353|UF419354,[M-H]-,HCD55|HCD80|CID35|CID55,175.04|175.0401|175.04:131.0502|131.0503,UFZ
100.001.808,201-988-8,90-39-1,Sparteine,sparteine,C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1,C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1,"InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2",C15H26N2,,,,,,SLRCCWJSBJZJBV-ZQDZILKHSA-N,,,,,,,,,,,
100.001.811,201-991-4,90-42-6,2-cyclohexylcyclohexanone,"1,1'-bi(cyclohexyl)-2-one",O=C1CCCCC1C2CCCCC2,O=C1CCCCC1C2CCCCC2,"InChI=1/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2",C12H20O,,,,,,UOBQDYFTAJKQAL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.347,201-481-1,83-47-6,"(3ß,24S)-stigmast-5-en-3-ol",stigmast-5-en-3-ol,CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3",C29H50O,,,,,,KZJWDPNRJALLNS-FBZNIEFRSA-N,,,,,,,,,,,
100.001.357,201-492-1,83-65-8,"4,5-dihydroxynaphthalene-1-sulphonic acid","4,5-dihydroxynaphthalene-1-sulfonic acid",Oc1cccc2c(ccc(O)c12)S(=O)(=O)O,Oc1cccc2c(ccc(O)c12)S(=O)(=O)O,"InChI=1/C10H8O5S/c11-7-3-1-2-6-9(16(13,14)15)5-4-8(12)10(6)7/h1-5,11-12H,(H,13,14,15)",C10H8O5S,,,,,,DBTLNKQGKRKJBT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.363,201-498-4,83-74-9,12-methoxyibogamine,12-methoxyibogamine,CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CCc4c3[nH]c5ccc(OC)cc45)C2,CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CCc4c3[nH]c5ccc(OC)cc45)C2,"InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3",C20H26N2O,,,,,,HSIBGVUMFOSJPD-CFDPKNGZSA-N,,,,,,,,,,,
100.001.371,201-508-7,83-89-6,Mepacrine,"N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine",CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,"InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",C23H30ClN3O,,,,,,GPKJTRJOBQGKQK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.376,201-513-4,84-06-0,Thiopropazate,2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl acetate,CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3",C23H28ClN3O2S,,,,,,AIUHRQHVWSUTGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.378,201-516-0,84-12-8,Phanquinone,"4,7-phenanthroline-5,6-dione",O=C1C(=O)c2ncccc2c3cccnc13,O=C1C(=O)c2ncccc2c3cccnc13,InChI=1/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H,C12H6N2O2,,,,,,VLPADTBFADIFKG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.379,201-517-6,84-15-1,o-terphenyl,"1,1':2',1''-terphenyl",c1ccc(cc1)c2ccccc2c3ccccc3,c1ccc(cc1)c2ccccc2c3ccccc3,InChI=1/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H,C18H14,,,,,,OIAQMFOKAXHPNH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.387,201-526-5,84-32-2,"3-chloro-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid","3-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",OC(=O)c1cc2C(=O)c3ccccc3C(=O)c2cc1Cl,OC(=O)c1cc2C(=O)c3ccccc3C(=O)c2cc1Cl,"InChI=1/C15H7ClO4/c16-12-6-10-9(5-11(12)15(19)20)13(17)7-3-1-2-4-8(7)14(10)18/h1-6H,(H,19,20)",C15H7ClO4,,,,,,DHDYWKZMHZPMFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.389,201-528-6,84-42-4,"N-(3-chloro-9,10-dihydro-9,10-dioxo-2-anthryl)acetamide","N-(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide",CC(=O)Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Cl,CC(=O)Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Cl,"InChI=1/C16H10ClNO3/c1-8(19)18-14-7-12-11(6-13(14)17)15(20)9-4-2-3-5-10(9)16(12)21/h2-7H,1H3,(H,18,19)",C16H10ClNO3,,,,,,AHCFUKJIRUAIDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.391,201-530-7,84-46-8,2-amino-3-chloroanthraquinone,"2-amino-3-chloro-9,10-anthraquinone",Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Cl,Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Cl,"InChI=1/C14H8ClNO2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2",C14H8ClNO2,,,,,,VMOJFUJVEWWUAV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.392,201-531-2,84-47-9,2-tert-butylanthraquinone,"2-tert-butyl-9,10-anthraquinone",CC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1,CC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C18H16O2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3",C18H16O2,,,,,,YTPSFXZMJKMUJE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.393,201-532-8,84-48-0,"9,10-dioxoanthracene-2-sulphonic acid","9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",OS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1,OS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19)",C14H8O5S,,,,,,MMNWSHJJPDXKCH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.394,201-533-3,84-49-1,"9,10-dioxoanthracene-2,7-disulphonic acid","9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonic acid",OS(=O)(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)S(=O)(=O)O,OS(=O)(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)S(=O)(=O)O,"InChI=1/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13/h1-6H,(H,17,18,19)(H,20,21,22)",C14H8O8S2,,,,,,OKONMFPEKSWGEU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.396,201-535-4,84-51-5,2-ethylanthraquinone,"2-ethyl-9,10-anthraquinone",CCc1ccc2C(=O)c3ccccc3C(=O)c2c1,CCc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3",C16H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14500,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.396,SJEBAWHUJDUKQK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.397,201-537-5,84-52-6,Cytidine 3'-monophosphate,3'-O-phosphonatocytidine,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O,"InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2",C9H14N3O8P,,,,,,UOOOPKANIPLQPU-XVFCMESISA-L,,,,,,,,,,,
100.000.951,201-045-0,77-63-4,"2,4,6,8-tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane","2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5,C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5,"InChI=1/C28H32O4Si4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3",C28H32O4Si4,,,,,,IRVZFACCNZRHSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.952,201-046-6,77-65-6,Carbromal,2-bromo-N-carbamoyl-2-ethylbutanamide,CCC(Br)(CC)C(=O)NC(=O)N,CCC(Br)(CC)C(=O)NC(=O)N,"InChI=1/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)",C7H13BrN2O2,,,,,,OPNPQXLQERQBBV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.955,201-049-2,77-68-9,"3-hydroxy-2,2,4-trimethylpentyl isobutyrate","3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate",CC(C)C(O)C(C)(C)COC(=O)C(C)C,CC(C)C(O)C(C)(C)COC(=O)C(C)C,"InChI=1/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3",C12H24O3,,,,,,DAFHKNAQFPVRKR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.956,201-050-8,77-70-3,Ethyl 2-hydroxy-2-methylbutyrate,ethyl 2-hydroxy-2-methylbutanoate,CCOC(=O)C(C)(O)CC,CCOC(=O)C(C)(O)CC,"InChI=1/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3",C7H14O3,,,,,,KIYWRWLZHQZKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.957,201-051-3,77-71-4,"5,5-dimethylhydantoin","5,5-dimethylimidazolidine-2,4-dione",CC1(C)NC(=O)NC1=O,CC1(C)NC(=O)NC1=O,"InChI=1/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)",C5H8N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13155,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.957,YIROYDNZEPTFOL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.960,201-055-5,77-75-8,Methylpentynol,3-methylpent-1-yn-3-ol,CCC(C)(O)C#C,CCC(C)(O)C#C,"InChI=1/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3",C6H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11071,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.960,QXLPXWSKPNOQLE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.961,201-056-0,77-76-9,Acetone-dimethyl acetal,"2,2-dimethoxypropane",COC(C)(C)OC,COC(C)(C)OC,"InChI=1/C5H12O2/c1-5(2,6-3)7-4/h1-4H3",C5H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15899,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.961,HEWZVZIVELJPQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.965,201-060-2,77-80-5,Hexaphenyldistannathiane,hexaphenyldistannathiane,S([Sn](c1ccccc1)(c2ccccc2)c3ccccc3)[Sn](c4ccccc4)(c5ccccc5)c6ccccc6,S([Sn](c1ccccc1)(c2ccccc2)c3ccccc3)[Sn](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/6C6H5.S.2Sn/c6*1-2-4-6-5-3-1;;;/h6*1-5H;;;/rC36H30SSn2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",C36H30SSn2,,,,,,NTCQOKPUDSWFJF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.971,201-067-0,77-90-7,Tributyl O-acetylcitrate,"tributyl 2-acetoxypropane-1,2,3-tricarboxylate",CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC,CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC,"InChI=1/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3",C20H34O8,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13143,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.971,QZCLKYGREBVARF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.978,201-074-9,77-99-6,Propylidynetrimethanol,"2-ethyl-2-(hydroxymethyl)propane-1,3-diol",CCC(CO)(CO)CO,CCC(CO)(CO)CO,"InChI=1/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3",C6H14O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15407,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.978,ZJCCRDAZUWHFQH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.981,201-078-0,78-05-7,"Benzyldiethyl-2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethylammonium chloride","N-benzyl-N,N-diethyl-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanaminium chloride",[Cl-].CC[N+](CC)(CCOc1ccc(cc1)C(C)(C)CC(C)(C)C)Cc2ccccc2,[Cl-].CC[N+](CC)(CCOc1ccc(cc1)C(C)(C)CC(C)(C)C)Cc2ccccc2,"InChI=1/C27H42NO.ClH/c1-8-28(9-2,21-23-13-11-10-12-14-23)19-20-29-25-17-15-24(16-18-25)27(6,7)22-26(3,4)5;/h10-18H,8-9,19-22H2,1-7H3;1H/q+1;/p-1",C27H42NO.Cl,,,,,,DPECLNSLLIQJJO-UHFFFAOYSA-M,,,,,,,,,,,
100.000.984,201-081-7,78-08-0,Triethoxy(vinyl)silane,triethoxy(vinyl)silane,CCO[Si](OCC)(OCC)C=C,CCO[Si](OCC)(OCC)C=C,"InChI=1/C8H18O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h8H,4-7H2,1-3H3",C8H18O3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15773,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.984,FWDBOZPQNFPOLF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.989,201-086-4,78-14-8,Tetraoctyl orthosilicate,tetraoctyl orthosilicate,CCCCCCCCO[Si](OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC,CCCCCCCCO[Si](OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC,"InChI=1/C32H68O4Si/c1-5-9-13-17-21-25-29-33-37(34-30-26-22-18-14-10-6-2,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4/h5-32H2,1-4H3",C32H68O4Si,,,,,,OZLXDDRBXFHZNO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.990,201-088-5,78-15-9,"2-ethyl-2-[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate","2,2-bis[(pentanoyloxy)methyl]butyl valerate (non-preferred name)",CCCCC(=O)OCC(CC)(COC(=O)CCCC)COC(=O)CCCC,CCCCC(=O)OCC(CC)(COC(=O)CCCC)COC(=O)CCCC,"InChI=1/C21H38O6/c1-5-9-12-18(22)25-15-21(8-4,16-26-19(23)13-10-6-2)17-27-20(24)14-11-7-3/h5-17H2,1-4H3",C21H38O6,,,,,,YHDXJOHRSLAGNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.999,201-097-4,78-24-0,"4,8-dioxa-2,2,6,6,10,10-hexahydroxymethylundecane-1,11-diol","2,2'-{[2,2-bis(hydroxymethyl)propane-1,3-diyl]bis(oxymethylene)}bis[2-(hydroxymethyl)propane-1,3-diol]",OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO,OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO,"InChI=1/C15H32O10/c16-1-13(2-17,3-18)9-24-11-15(7-22,8-23)12-25-10-14(4-19,5-20)6-21/h16-23H,1-12H2",C15H32O10,,,,,,PTJWCLYPVFJWMP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.814,201-995-6,90-45-9,Aminoacridine,acridin-9-amine,Nc1c2ccccc2nc3ccccc13,Nc1c2ccccc2nc3ccccc13,"InChI=1/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)",C13H10N2,,,,,,XJGFWWJLMVZSIG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.816,201-997-7,90-47-1,Xanthen-9-one,9H-xanthen-9-one,O=C1c2ccccc2Oc3ccccc13,O=C1c2ccccc2Oc3ccccc13,InChI=1/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,C13H8O2,,,,,,JNELGWHKGNBSMD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.817,201-998-2,90-49-3,Ethylphenacemide,N-carbamoyl-2-phenylbutanamide,CCC(C(=O)NC(=O)N)c1ccccc1,CCC(C(=O)NC(=O)N)c1ccccc1,"InChI=1/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)",C11H14N2O2,,,,,,AJOQSQHYDOFIOX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.839,202-022-8,90-87-9,2-phenylpropionaldehyde-dimethyl acetal,"(2,2-dimethoxy-1-methylethyl)benzene",COC(OC)C(C)c1ccccc1,COC(OC)C(C)c1ccccc1,"InChI=1/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3",C11H16O2,,,,,,UFOUDYPOSJJEDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.844,202-028-0,90-96-0,"4,4'-dimethoxybenzophenone",bis(4-methoxyphenyl)methanone,COc1ccc(cc1)C(=O)c2ccc(OC)cc2,COc1ccc(cc1)C(=O)c2ccc(OC)cc2,"InChI=1/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3",C15H14O3,,,,,,RFVHVYKVRGKLNK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.847,202-031-7,90-99-3,Chloro(diphenyl)methane,"1,1'-(chloromethylene)dibenzene",ClC(c1ccccc1)c2ccccc2,ClC(c1ccccc1)c2ccccc2,"InChI=1/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H",C13H11Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18789,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.847,ZDVDCDLBOLSVGM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.856,202-041-1,91-10-1,"2,6-dimethoxyphenol","2,6-dimethoxyphenol",COc1cccc(OC)c1O,COc1cccc(OC)c1O,"InChI=1/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3",C8H10O3,,,,,,KLIDCXVFHGNTTM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.860,202-045-3,91-16-7,Veratrole,"1,2-dimethoxybenzene",COc1ccccc1OC,COc1ccccc1OC,"InChI=1/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3",C8H10O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11095,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.860,ABDKAPXRBAPSQN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.868,202-054-2,91-26-9,o-hydrazinobenzenesulphonic acid,2-hydrazinobenzenesulfonic acid,NNc1ccccc1S(=O)(=O)O,NNc1ccccc1S(=O)(=O)O,"InChI=1/C6H8N2O3S/c7-8-5-3-1-2-4-6(5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)",C6H8N2O3S,,,,,,NNUQEZBWGDSLCX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.873,202-060-5,91-31-6,5-amino-2-(p-toluidino)benzenesulphonic acid,5-amino-2-[(4-methylphenyl)amino]benzenesulfonic acid,Cc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,Cc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,"InChI=1/C13H14N2O3S/c1-9-2-5-11(6-3-9)15-12-7-4-10(14)8-13(12)19(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18)",C13H14N2O3S,,,,,,SFRJKPJFXZQVIA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.877,202-064-7,91-36-1,5-[[(2-carboxyphenyl)amino]sulphonyl]-2-chlorobenzoic acid,5-[(2-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid,OC(=O)c1ccccc1NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)O,OC(=O)c1ccccc1NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)O,"InChI=1/C14H10ClNO6S/c15-11-6-5-8(7-10(11)14(19)20)23(21,22)16-12-4-2-1-3-9(12)13(17)18/h1-7,16H,(H,17,18)(H,19,20)",C14H10ClNO6S,,,,,,XYUBQRPKIVSWKI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.882,202-069-4,91-48-5,a-phenylcinnamic acid,"2,3-diphenylacrylic acid",OC(=O)\\C(=C\\c1ccccc1)\\c2ccccc2,OC(=O)\C(=C\c1ccccc1)\c2ccccc2,"InChI=1/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)",C15H12O2,,,,,,BIDDLDNGQCUOJQ-SDNWHVSQSA-N,,,,,,,,,,,
100.001.884,202-072-0,91-50-9,Methyl 2-[[2-methyl-3-[4-(1-methylethyl)phenyl]propylidene]amino]benzoate,methyl 2-{[3-(4-isopropylphenyl)-2-methylpropylidene]amino}benzoate,CC(C)c1ccc(cc1)CC(C)C=Nc2ccccc2C(=O)OC,CC(C)c1ccc(cc1)CC(C)C=Nc2ccccc2C(=O)OC,"InChI=1/C21H25NO2/c1-15(2)18-11-9-17(10-12-18)13-16(3)14-22-20-8-6-5-7-19(20)21(23)24-4/h5-12,14-16H,13H2,1-4H3",C21H25NO2,,,,,,GPMKWOCILXNQON-UHFFFAOYSA-N,,,,,,,,,,,
100.001.887,202-075-7,91-53-2,Ethoxyquin,"6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline",CCOc1ccc2NC(C)(C)C=C(C)c2c1,CCOc1ccc2NC(C)(C)C=C(C)c2c1,"InChI=1/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3",C14H19NO,,,,,,DECIPOUIJURFOJ-UHFFFAOYSA-N,Positive,EQ365201|EQ365202|EQ365203|EQ365204|EQ365205|EQ365206|EQ365207|EQ365208|EQ365209,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,218.1541:176.1072:190.1229|218.1541:176.1072:190.1228|218.1541:190.1228:148.0758|148.0757:174.0915:188.1071|174.0915:160.0758:148.0757|160.0758:174.0915:146.0602|160.0758:146.0602:131.0731|130.0653:117.0574:91.0543|130.0653:95.0492:117.0574,Eawag,,,,,
100.001.901,202-090-9,91-68-9,3-diethylaminophenol,3-(diethylamino)phenol,CCN(CC)c1cccc(O)c1,CCN(CC)c1cccc(O)c1,"InChI=1/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3",C10H15NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11189,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.901,WAVOOWVINKGEHS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.411,202-651-8,98-27-1,4-tert-butyl-o-cresol,4-tert-butyl-2-methylphenol,Cc1cc(ccc1O)C(C)(C)C,Cc1cc(ccc1O)C(C)(C)C,"InChI=1/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3",C11H16O,,,,,,SNKLPZOJLXDZCW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.412,202-652-3,98-28-2,4-tert-butyl-2-chlorophenol,4-tert-butyl-2-chlorophenol,CC(C)(C)c1ccc(O)c(Cl)c1,CC(C)(C)c1ccc(O)c(Cl)c1,"InChI=1/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3",C10H13ClO,,,,,,PRLINSMUYJWPBL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.398,201-538-0,84-53-7,Uridine 3'-(dihydrogen phosphate),"1-(3-O-phosphonopentofuranosyl)pyrimidine-2,4(1H,3H)-dione",OCC1OC(C(O)C1OP(=O)(O)O)N2C=CC(=O)NC2=O,OCC1OC(C(O)C1OP(=O)(O)O)N2C=CC(=O)NC2=O,"InChI=1/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)",C9H13N2O9P,,,,,,FOGRQMPFHUHIGU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.410,201-551-1,84-67-3,"2,2'-dimethyl[1,1'-biphenyl]-4,4'-diamine","2,2'-dimethylbiphenyl-4,4'-diamine",Cc1cc(N)ccc1c2ccc(N)cc2C,Cc1cc(N)ccc1c2ccc(N)cc2C,"InChI=1/C14H16N2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3",C14H16N2,,,,,,QYIMZXITLDTULQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.411,201-552-7,84-68-4,"2,2'-dichloro[1,1'-biphenyl]-4,4'-diamine","2,2'-dichlorobiphenyl-4,4'-diamine",Nc1ccc(c(Cl)c1)c2ccc(N)cc2Cl,Nc1ccc(c(Cl)c1)c2ccc(N)cc2Cl,"InChI=1/C12H10Cl2N2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H,15-16H2",C12H10Cl2N2,,,,,,XKXPBJBODVHDAW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.420,201-562-1,84-78-6,Butyl octyl phthalate,butyl octyl phthalate,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC,"InChI=1/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3",C20H30O4,,,,,,MURWRBWZIMXKGC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.423,201-565-8,84-83-3,"1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde","(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)acetaldehyde",CN1C(=CC=O)C(C)(C)c2ccccc12,CN1C(=CC=O)C(C)(C)c2ccccc12,"InChI=1/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3",C13H15NO,,,,,,GCECACVNILMTRD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.425,201-567-9,84-86-6,4-aminonaphthalene-1-sulphonic acid,4-aminonaphthalene-1-sulfonic acid,Nc1ccc(c2ccccc12)S(=O)(=O)O,Nc1ccc(c2ccccc12)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,NRZRRZAVMCAKEP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.426,201-568-4,84-87-7,4-hydroxynaphthalene-1-sulphonic acid,4-hydroxynaphthalene-1-sulfonic acid,Oc1ccc(c2ccccc12)S(=O)(=O)O,Oc1ccc(c2ccccc12)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6,11H,(H,12,13,14)",C10H8O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10797,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.426,HGWQOFDAUWCQDA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.427,201-570-5,84-88-8,8-hydroxyquinoline-5-sulphonic acid,8-hydroxyquinoline-5-sulfonic acid,Oc1ccc(c2cccnc12)S(=O)(=O)O,Oc1ccc(c2cccnc12)S(=O)(=O)O,"InChI=1/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)",C9H7NO4S,,,,,,LGDFHDKSYGVKDC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.431,201-574-7,84-92-4,"5,6-diaminonaphthalene-1-sulphonic acid","5,6-diaminonaphthalene-1-sulfonic acid",Nc1ccc2c(cccc2c1N)S(=O)(=O)O,Nc1ccc2c(cccc2c1N)S(=O)(=O)O,"InChI=1/C10H10N2O3S/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)16(13,14)15/h1-5H,11-12H2,(H,13,14,15)",C10H10N2O3S,,,,,,AWXNJVXWJMGHMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.432,201-575-2,84-94-6,"3-[(4-amino-o-tolyl)azo]naphthalene-1,5-disulphonic acid","3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid",OS(=O)(=O)c3cccc2c3cc(N=Nc1ccc(N)cc1C)cc2S(O)(=O)=O,OS(=O)(=O)c3cccc2c3cc(N=Nc1ccc(N)cc1C)cc2S(O)(=O)=O,"InChI=1/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)",C17H15N3O6S2,,,,,,XXZDPVOWJBCNQC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.434,201-577-3,84-96-8,Alimemazine,"N,N,2-trimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine",CC(CN(C)C)CN1c2ccccc2Sc3ccccc13,CC(CN(C)C)CN1c2ccccc2Sc3ccccc13,"InChI=1/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",C18H22N2S,,,,,,ZZHLYYDVIOPZBE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.437,201-581-5,85-01-8,Phenanthrene,phenanthrene,c1ccc2c(c1)ccc3ccccc23,c1ccc2c(c1)ccc3ccccc23,InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H,C14H10,,,,,,YNPNZTXNASCQKK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.444,201-588-3,85-11-0,8-amino-5-(phenylazo)-2-naphthol,8-amino-5-(phenyldiazenyl)-2-naphthol,Nc2ccc(N=Nc1ccccc1)c3ccc(O)cc23,Nc2ccc(N=Nc1ccccc1)c3ccc(O)cc23,"InChI=1/C16H13N3O/c17-15-8-9-16(13-7-6-12(20)10-14(13)15)19-18-11-4-2-1-3-5-11/h1-10,20H,17H2",C16H13N3O,,,,,,LILUGONJGLSBDO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.450,201-595-1,85-28-9,4'-chloro-2-hydroxy-4-methoxybenzophenone,(4-chlorophenyl)(2-hydroxy-4-methoxyphenyl)methanone,COc1ccc(C(=O)c2ccc(Cl)cc2)c(O)c1,COc1ccc(C(=O)c2ccc(Cl)cc2)c(O)c1,"InChI=1/C14H11ClO3/c1-18-11-6-7-12(13(16)8-11)14(17)9-2-4-10(15)5-3-9/h2-8,16H,1H3",C14H11ClO3,,,,,,CBKGNZGFDXQOEV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.455,201-600-7,85-36-9,"3-acetamido-2,4,6-triiodobenzoic acid","3-acetamido-2,4,6-triiodobenzoic acid",CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,"InChI=1/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)",C9H6I3NO3,,,,,,GNOGSFBXBWBTIG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.457,201-602-8,85-40-5,"1,2,3,6-tetrahydrophthalimide","3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",O=C1NC(=O)C2CC=CCC12,O=C1NC(=O)C2CC=CCC12,"InChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)",C8H9NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1194,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.457,CIFFBTOJCKSRJY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.006,201-106-1,78-33-1,Tris(p-tert-butylphenyl) phosphate,tris(4-tert-butylphenyl) phosphate,CC(C)(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)(C)C)Oc3ccc(cc3)C(C)(C)C)cc1,CC(C)(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)(C)C)Oc3ccc(cc3)C(C)(C)C)cc1,"InChI=1/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3",C30H39O4P,,,,,,LORSVOJSXMHDHF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.007,201-107-7,78-34-2,Dioxathion,"S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(dithiophosphate)",CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC,CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC,"InChI=1/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3",C12H26O6P2S4,,,,,,VBKKVDGJXVOLNE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.011,201-111-9,78-38-6,Diethyl ethylphosphonate,diethyl ethylphosphonate,CCOP(=O)(CC)OCC,CCOP(=O)(CC)OCC,"InChI=1/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3",C6H15O3P,,,,,,AATNZNJRDOVKDD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.020,201-121-3,78-50-2,Trioctylphosphine oxide,trioctylphosphine oxide,CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC,CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC,"InChI=1/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51OP,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16452,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.020,ZMBHCYHQLYEYDV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.021,201-122-9,78-51-3,Tris(2-butoxyethyl) phosphate,tris(2-butoxyethyl) phosphate,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,"InChI=1/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3",C18H39O7P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14166,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.021,WTLBZVNBAKMVDP-UHFFFAOYSA-N,Positive,SM824402;SM880602,[M+H]+;[M+H]+,HCD35;HCD35,299.1621:399.2511:199.0731;57.0701:299.1619:399.2508,CASMI_2016;CASMI_2016,,,,,
100.001.026,201-128-1,78-63-7,"Di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide","2,5-bis(tert-butylperoxy)-2,5-dimethylhexane",CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,"InChI=1/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3",C16H34O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14360,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.026,DMWVYCCGCQPJEA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.029,201-131-8,78-66-0,"3,6-dimethyloct-4-yne-3,6-diol","3,6-dimethyloct-4-yne-3,6-diol",CCC(C)(O)C#CC(C)(O)CC,CCC(C)(O)C#CC(C)(O)CC,"InChI=1/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3",C10H18O2,,,,,,NUYADIDKTLPDGG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.030,201-132-3,78-67-1,"2,2'-dimethyl-2,2'-azodipropiononitrile","2,2'-diazene-1,2-diylbis(2-methylpropanenitrile)",N#CC(C)(C)N=NC(C)(C)C#N,N#CC(C)(C)N=NC(C)(C)C#N,"InChI=1/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3",C8H12N4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14322,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.030,OZAIFHULBGXAKX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.031,201-133-9,78-69-3,"3,7-dimethyloctan-3-ol","3,7-dimethyloctan-3-ol",CCC(C)(O)CCCC(C)C,CCC(C)(O)CCCC(C)C,"InChI=1/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3",C10H22O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14146,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.031,DLHQZZUEERVIGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.032,201-134-4,78-70-6,Linalool,"3,7-dimethylocta-1,6-dien-3-ol",CC(=CCCC(C)(O)C=C)C,CC(=CCCC(C)(O)C=C)C,"InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C10H18O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14501,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.032,CDOSHBSSFJOMGT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.041,201-144-9,78-80-8,2-methylbut-1-en-3-yne,2-methylbut-1-en-3-yne,CC(=C)C#C,CC(=C)C#C,"InChI=1/C5H6/c1-4-5(2)3/h1H,2H2,3H3",C5H6,,,,,,BOFLDKIFLIFLJA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.052,201-156-4,78-91-1,2-aminopropan-1-ol,2-aminopropan-1-ol,CC(N)CO,CC(N)CO,"InChI=1/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3",C3H9NO,,,,,,BKMMTJMQCTUHRP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.053,201-158-5,78-92-2,Butan-2-ol,butan-2-ol,CCC(C)O,CCC(C)O,"InChI=1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3",C4H10O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14353,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.053,BTANRVKWQNVYAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.057,201-162-7,78-96-6,1-aminopropan-2-ol,1-aminopropan-2-ol,CC(O)CN,CC(O)CN,"InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3",C3H9NO,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13935,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.057,HXKKHQJGJAFBHI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.058,201-163-2,78-97-7,Lactonitrile,2-hydroxypropanenitrile,CC(O)C#N,CC(O)C#N,"InChI=1/C3H5NO/c1-3(5)2-4/h3,5H,1H3",C3H5NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10462,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.058,WOFDVDFSGLBFAC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.059,201-164-8,78-98-8,Pyruvaldehyde,2-oxopropanal,CC(=O)C=O,CC(=O)C=O,"InChI=1/C3H4O2/c1-3(5)2-4/h2H,1H3",C3H4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10128,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.059,AIJULSRZWUXGPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.075,201-182-6,79-16-3,N-methylacetamide,N-methylacetamide,CNC(=O)C,CNC(=O)C,"InChI=1/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",C3H7NO,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/15888,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.075,OHLUUHNLEMFGTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.080,201-187-3,79-22-1,Methyl chloroformate,methyl chlorocarbonate,COC(=O)Cl,COC(=O)Cl,InChI=1/C2H3ClO2/c1-5-2(3)4/h1H3,C2H3ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13903,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.080,XMJHPCRAQCTCFT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.086,201-194-1,79-30-1,Isobutyryl chloride,2-methylpropanoyl chloride,CC(C)C(=O)Cl,CC(C)C(=O)Cl,"InChI=1/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3",C4H7ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13467,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.086,DGMOBVGABMBZSB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.089,201-197-8,79-34-5,"1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane",ClC(Cl)C(Cl)Cl,ClC(Cl)C(Cl)Cl,InChI=1/C2H2Cl4/c3-1(4)2(5)6/h1-2H,C2H2Cl4,,,,,,QPFMBZIOSGYJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.090,201-198-3,79-35-6,"1,1-dichlorodifluoroethylene","1,1-dichloro-2,2-difluoroethene",FC(=C(Cl)Cl)F,FC(=C(Cl)Cl)F,InChI=1/C2Cl2F2/c3-1(4)2(5)6,C2Cl2F2,,,,,,QDGONURINHVBEW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.419,202-660-7,98-35-1,3-chlorosulphanilic acid,4-amino-3-chlorobenzenesulfonic acid,Nc1ccc(cc1Cl)S(=O)(=O)O,Nc1ccc(cc1Cl)S(=O)(=O)O,"InChI=1/C6H6ClNO3S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H,9,10,11)",C6H6ClNO3S,,,,,,NEECEUZBAHTVIN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.420,202-661-2,98-36-2,3-amino-4-chlorobenzenesulphonic acid,3-amino-4-chlorobenzenesulfonic acid,Nc1cc(ccc1Cl)S(=O)(=O)O,Nc1cc(ccc1Cl)S(=O)(=O)O,"InChI=1/C6H6ClNO3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,8H2,(H,9,10,11)",C6H6ClNO3S,,,,,,XJQRCFRVWZHIPN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.425,202-667-5,98-42-0,3-amino-4-methoxybenzenesulphonic acid,3-amino-4-methoxybenzenesulfonic acid,COc1ccc(cc1N)S(=O)(=O)O,COc1ccc(cc1N)S(=O)(=O)O,"InChI=1/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10337,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.425,FLIOATBXVNLPLK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.429,202-671-7,98-47-5,3-nitrobenzenesulphonic acid,3-nitrobenzenesulfonic acid,OS(=O)(=O)c1cccc(c1)[N+](=O)[O-],OS(=O)(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)",C6H5NO5S,,,,,,ONMOULMPIIOVTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.434,202-676-4,98-52-2,4-tert-butylcyclohexanol,4-tert-butylcyclohexanol,CC(C)(C)C1CCC(O)CC1,CC(C)(C)C1CCC(O)CC1,"InChI=1/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3",C10H20O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13464,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.434,CCOQPGVQAWPUPE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.440,202-683-2,98-58-8,4-bromobenzenesulphonyl chloride,4-bromobenzenesulfonyl chloride,ClS(=O)(=O)c1ccc(Br)cc1,ClS(=O)(=O)c1ccc(Br)cc1,"InChI=1/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H",C6H4BrClO2S,,,,,,KMMHZIBWCXYAAH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.443,202-686-9,98-61-3,p-iodobenzenesulphonyl chloride,4-iodobenzenesulfonyl chloride,ClS(=O)(=O)c1ccc(I)cc1,ClS(=O)(=O)c1ccc(I)cc1,"InChI=1/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H",C6H4ClIO2S,,,,,,POXFXTSTVWDWIR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.445,202-689-5,98-64-6,4-chlorobenzenesulphonamide,4-chlorobenzenesulfonamide,NS(=O)(=O)c1ccc(Cl)cc1,NS(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",C6H6ClNO2S,,,,,,HHHDJHHNEURCNV-UHFFFAOYSA-N,Negative,,,,,,EQ325951|EQ325954|EQ325955|EQ325956,[M-H]-,HCD15|HCD60|HCD75|HCD90,126.0116:189.9735:79.9811|79.9812:126.0116:78.9734|79.9812:61.9706:78.9734|61.9706:78.9733:79.9812,Eawag
100.002.446,202-690-0,98-66-8,4-chlorobenzenesulphonic acid,4-chlorobenzenesulfonic acid,OS(=O)(=O)c1ccc(Cl)cc1,OS(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)",C6H5ClO3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18843,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.446,RJWBTWIBUIGANW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.447,202-691-6,98-67-9,4-hydroxybenzenesulphonic acid,4-hydroxybenzenesulfonic acid,Oc1ccc(cc1)S(=O)(=O)O,Oc1ccc(cc1)S(=O)(=O)O,"InChI=1/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)",C6H6O4S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14998,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.447,FEPBITJSIHRMRT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.449,202-693-7,98-69-1,p-ethylbenzenesulphonic acid,4-ethylbenzenesulfonic acid,CCc1ccc(cc1)S(=O)(=O)O,CCc1ccc(cc1)S(=O)(=O)O,"InChI=1/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)",C8H10O3S,,,,,,BRIXOPDYGQCZFO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.451,202-695-8,98-72-6,Nitarsone,(4-nitrophenyl)arsonic acid,O[As](=O)(O)c1ccc(cc1)[N+](=O)[O-],O[As](=O)(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)",C6H6AsNO5,,,,,,FUUFQLXAIUOWML-UHFFFAOYSA-N,,,,,,,,,,,
100.002.452,202-696-3,98-73-7,4-tert-butylbenzoic acid,4-tert-butylbenzoic acid,CC(C)(C)c1ccc(cc1)C(=O)O,CC(C)(C)c1ccc(cc1)C(=O)O,"InChI=1/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)",C11H14O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12153,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.452,KDVYCTOWXSLNNI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.456,202-701-9,98-80-6,Dihydroxy(phenyl)borane,phenylboronic acid,OB(O)c1ccccc1,OB(O)c1ccccc1,"InChI=1/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H",C6H7BO2,,,,,,HXITXNWTGFUOAU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.291,203-619-6,108-82-7,"2,6-dimethylheptan-4-ol","2,6-dimethylheptan-4-ol",CC(C)CC(O)CC(C)C,CC(C)CC(O)CC(C)C,"InChI=1/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3",C9H20O,,,,,,HXQPUEQDBSPXTE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.292,203-620-1,108-83-8,"2,6-dimethylheptan-4-one","2,6-dimethylheptan-4-one",CC(C)CC(=O)CC(C)C,CC(C)CC(=O)CC(C)C,"InChI=1/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3",C9H18O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2026,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.292,PTTPXKJBFFKCEK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.297,203-625-9,108-88-3,Toluene,toluene,Cc1ccccc1,Cc1ccccc1,"InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",C7H8,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15538,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.297,YXFVVABEGXRONW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.299,203-628-5,108-90-7,Chlorobenzene,chlorobenzene,Clc1ccccc1,Clc1ccccc1,InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H,C6H5Cl,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1962,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.299,MVPPADPHJFYWMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.301,203-630-6,108-93-0,Cyclohexanol,cyclohexanol,OC1CCCCC1,OC1CCCCC1,"InChI=1/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",C6H12O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15181,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.301,HPXRVTGHNJAIIH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.304,203-633-2,108-96-3,4-pyridone,pyridin-4(1H)-one,O=C1C=CNC=C1,O=C1C=CNC=C1,"InChI=1/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)",C5H5NO,,,,,,GCNTZFIIOFTKIY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.308,203-637-4,109-00-2,Pyridin-3-ol,pyridin-3-ol,Oc1cccnc1,Oc1cccnc1,"InChI=1/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H",C5H5NO,,,,,,GRFNBEZIAWKNCO-UHFFFAOYSA-N,Positive,SM804503,[M+H]+,HCD35,96.0444:68.0495:67.0417,CASMI_2016,,,,,
100.001.466,201-612-2,85-52-9,2-benzoylbenzoic acid,2-benzoylbenzoic acid,OC(=O)c1ccccc1C(=O)c2ccccc2,OC(=O)c1ccccc1C(=O)c2ccccc2,"InChI=1/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)",C14H10O3,,,,,,FGTYTUFKXYPTML-UHFFFAOYSA-N,,,,,,,,,,,
100.001.471,201-618-5,85-60-9,"6,6'-di-tert-butyl-4,4'-butylidenedi-m-cresol","4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)",CCCC(c1cc(c(O)cc1C)C(C)(C)C)c2cc(c(O)cc2C)C(C)(C)C,CCCC(c1cc(c(O)cc1C)C(C)(C)C)c2cc(c(O)cc2C)C(C)(C)C,"InChI=1/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3",C26H38O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13368,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.471,PFANXOISJYKQRP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.474,201-621-1,85-67-6,8-amino-5-[(p-aminophenyl)azo]naphthalene-2-sulphonic acid,8-amino-5-[(4-aminophenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c2ccc3c(N=Nc1ccc(N)cc1)ccc(N)c3c2,OS(=O)(=O)c2ccc3c(N=Nc1ccc(N)cc1)ccc(N)c3c2,"InChI=1/C16H14N4O3S/c17-10-1-3-11(4-2-10)19-20-16-8-7-15(18)14-9-12(24(21,22)23)5-6-13(14)16/h1-9H,17-18H2,(H,21,22,23)",C16H14N4O3S,,,,,,PUFPLSIDSWPRQM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.480,201-627-4,85-73-4,Phthalylsulfathiazole,"2-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid",OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3,OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3,"InChI=1/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)",C17H13N3O5S2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10664,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.480,PBMSWVPMRUJMPE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.490,201-638-4,85-86-9,1-(4-(phenylazo)phenylazo)-2-naphthol,1-{[4-(phenyldiazenyl)phenyl]diazenyl}-2-naphthol,Oc4ccc1ccccc1c4N=Nc3ccc(N=Nc2ccccc2)cc3,Oc4ccc1ccccc1c4N=Nc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H",C22H16N4O,,,,,,FHNINJWBTRXEBC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.493,201-642-6,85-91-6,Methyl N-methylanthranilate,methyl 2-(methylamino)benzoate,CNc1ccccc1C(=O)OC,CNc1ccccc1C(=O)OC,"InChI=1/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3",C9H11NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17637,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.493,GVOWHGSUZUUUDR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.496,201-645-2,85-98-3,"1,3-diethyldiphenylurea","1,3-diethyl-1,3-diphenylurea",CCN(C(=O)N(CC)c1ccccc1)c2ccccc2,CCN(C(=O)N(CC)c1ccccc1)c2ccccc2,"InChI=1/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3",C17H20N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12140,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.496,PZIMIYVOZBTARW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.507,201-657-8,86-22-6,Brompheniramine,"3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine",CN(C)CCC(c1ccc(Br)cc1)c2ccccn2,CN(C)CCC(c1ccc(Br)cc1)c2ccccn2,"InChI=1/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",C16H19BrN2,,,,,,ZDIGNSYAACHWNL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.515,201-666-7,86-38-4,"3,9-dichloro-7-methoxyacridine","6,9-dichloro-2-methoxyacridine",COc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1,COc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1,"InChI=1/C14H9Cl2NO/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3",C14H9Cl2NO,,,,,,RYRNQWYNHLLOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.516,201-667-2,86-39-5,2-chlorothioxanthen-9-one,2-chloro-9H-thioxanthen-9-one,Clc1ccc2Sc3ccccc3C(=O)c2c1,Clc1ccc2Sc3ccccc3C(=O)c2c1,InChI=1/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H,C13H7ClOS,,,,,,ZCDADJXRUCOCJE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.518,201-669-3,86-42-0,Amodiaquine,4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,"InChI=1/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)",C20H22ClN3O,,,,,,OVCDSSHSILBFBN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.520,201-671-4,86-45-3,5-amino-6-methoxynaphthalene-2-sulphonic acid,5-amino-6-methoxynaphthalene-2-sulfonic acid,COc1ccc2cc(ccc2c1N)S(=O)(=O)O,COc1ccc2cc(ccc2c1N)S(=O)(=O)O,"InChI=1/C11H11NO4S/c1-16-10-5-2-7-6-8(17(13,14)15)3-4-9(7)11(10)12/h2-6H,12H2,1H3,(H,13,14,15)",C11H11NO4S,,,,,,OXQJOAGKNHVOAI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.531,201-684-5,86-57-7,1-nitronaphthalene,1-nitronaphthalene,[O-][N+](=O)c1cccc2ccccc12,[O-][N+](=O)c1cccc2ccccc12,InChI=1/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C10H7NO2,,,,,,RJKGJBPXVHTNJL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.532,201-685-0,86-60-2,7-aminonaphthalene-1-sulphonic acid,7-aminonaphthalene-1-sulfonic acid,Nc1ccc2cccc(c2c1)S(=O)(=O)O,Nc1ccc2cccc(c2c1)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,FYVOTMMSGKWFPK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.533,201-686-6,86-61-3,7-amino-3-hydroxynaphthalene-1-sulphonic acid,7-amino-3-hydroxynaphthalene-1-sulfonic acid,Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)O,Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-7-2-1-6-3-8(12)5-10(9(6)4-7)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,NWYPJANFHLUNFH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.542,201-696-0,86-74-8,Carbazole,9H-carbazole,c1ccc2c(c1)[nH]c3ccccc23,c1ccc2c(c1)[nH]c3ccccc23,"InChI=1/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H",C12H9N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13099,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.542,UJOBWOGCFQCDNV-UHFFFAOYSA-N,Positive,UA000101|UA000103,[M+H]+,CID35|CID35,168.0809:115.0167|168.0808:141.0699:167.0727,UFZ_Additional_Specs,,,,,
100.001.094,201-202-3,79-39-0,Methacrylamide,methacrylamide,CC(=C)C(=O)N,CC(=C)C(=O)N,"InChI=1/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)",C4H7NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15801,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.094,FQPSGWSUVKBHSU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.097,201-206-5,79-42-5,2-mercaptopropionic acid,2-sulfanylpropanoic acid,CC(S)C(=O)O,CC(S)C(=O)O,"InChI=1/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)",C3H6O2S,,,,,,PMNLUUOXGOOLSP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.098,201-207-0,79-43-6,Dichloroacetic acid,dichloroacetic acid,OC(=O)C(Cl)Cl,OC(=O)C(Cl)Cl,"InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)",C2H2Cl2O2,,,,,,JXTHNDFMNIQAHM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.105,201-214-9,79-63-0,Lanosterol,"lanosta-8,24-dien-3-ol",C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3,C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3,"InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3",C30H50O,,,,,,CAHGCLMLTWQZNJ-BQNIITSRSA-N,,,,,,,,,,,
100.001.108,201-218-0,79-68-5,"4-(2,2,3-trimethyl-6-methylenecyclohexyl)-3-buten-2-one","4-(2,2,3-trimethyl-6-methylenecyclohexyl)but-3-en-2-one",CC1CCC(=C)C(C=CC(C)=O)C1(C)C,CC1CCC(=C)C(C=CC(C)=O)C1(C)C,"InChI=1/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3",C14H22O,,,,,,MVPDTCQYNRKWJA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.110,201-220-1,79-70-9,"4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one","4-(2,5,6,6-tetramethylcyclohex-1-en-1-yl)but-3-en-2-one",CC=1CCC(C)C(C)(C)C=1C=CC(C)=O,CC=1CCC(C)C(C)(C)C=1C=CC(C)=O,"InChI=1/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3",C14H22O,,,,,,BGKCUGPVLVNPSG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.128,201-240-0,79-97-0,"4,4'-isopropylidenedi-o-cresol","4,4'-propane-2,2-diylbis(2-methylphenol)",Cc1cc(ccc1O)C(C)(C)c2ccc(O)c(C)c2,Cc1cc(ccc1O)C(C)(C)c2ccc(O)c(C)c2,"InChI=1/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3",C17H20O2,,,,,,YMTYZTXUZLQUSF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.134,201-246-3,80-06-8,Chlorfenethol,"1,1-bis(4-chlorophenyl)ethanol",CC(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,CC(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3",C14H12Cl2O,,,,,,URYAFVKLYSEINW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.135,201-247-9,80-07-9,Bis(4-chlorophenyl) sulphone,"1,1'-sulfonylbis(4-chlorobenzene)",Clc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2,Clc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2,"InChI=1/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H",C12H8Cl2O2S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14560,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.135,GPAPPPVRLPGFEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.143,201-256-8,80-18-2,Methyl benzenesulphonate,methyl benzenesulfonate,COS(=O)(=O)c1ccccc1,COS(=O)(=O)c1ccccc1,"InChI=1/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3",C7H8O3S,,,,,,CZXGXYBOQYQXQD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.148,201-262-0,80-23-9,3-amino-4-hydroxy-N-methylbenzenesulphonamide,3-amino-4-hydroxy-N-methylbenzenesulfonamide,CNS(=O)(=O)c1ccc(O)c(N)c1,CNS(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C7H10N2O3S/c1-9-13(11,12)5-2-3-7(10)6(8)4-5/h2-4,9-10H,8H2,1H3",C7H10N2O3S,,,,,,NFNLMGYLSDEJKS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.149,201-263-6,80-24-0,1-(3-isopropylphenyl)-1-methylethyl hydroperoxide,1-(3-isopropylphenyl)-1-methylethyl hydroperoxide,CC(C)c1cccc(c1)C(C)(C)OO,CC(C)c1cccc(c1)C(C)(C)OO,"InChI=1/C12H18O2/c1-9(2)10-6-5-7-11(8-10)12(3,4)14-13/h5-9,13H,1-4H3",C12H18O2,,,,,,PLLRMTWSFVDQEO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.152,201-266-2,80-27-3,p-menth-1-en-8-yl propionate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl propionate,CCC(=O)OC(C)(C)C1CCC(=CC1)C,CCC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3",C13H22O2,,,,,,CMKQOKAXUWQAHG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.157,201-272-5,80-35-3,Sulfamethoxypyridazine,4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,"InChI=1/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",C11H12N4O3S,,,,,,VLYWMPOKSSWJAL-UHFFFAOYSA-N,Positive/Negative,mzcloud:2206,[M+H]+;[M+Na]+,HCD_Averaged,54.03383:65.03858:68.04947:80.04948:92.04948:108.0444:1100.0601:111.0428:126.06619:156.01137:188.01250:215.09276,HighChem,mzcloud:2206,[M-H]-,HCD_Averaged,63.9624:92.05058:156.01245:200.07039:96.00908,HighChem
100.001.159,201-274-6,80-38-6,Fenson,4-chlorophenyl benzenesulfonate,Clc1ccc(OS(=O)(=O)c2ccccc2)cc1,Clc1ccc(OS(=O)(=O)c2ccccc2)cc1,"InChI=1/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H",C12H9ClO3S,,,,,,SPJOZZSIXXJYBT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.163,201-278-8,80-42-2,Propyl benzenesulphonate,propyl benzenesulfonate,CCCOS(=O)(=O)c1ccccc1,CCCOS(=O)(=O)c1ccccc1,"InChI=1/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C9H12O3S,,,,,,OCNPXKLQSGAGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.168,201-284-0,80-49-9,Homatropine methylbromide,8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate - bromomethane (1:1),CBr.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,CBr.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,"InChI=1/C16H21NO3.CH3Br/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;1-2/h2-6,12-15,18H,7-10H2,1H3;1H3",C17H24NO3.Br,,,,,,NAABJORKYJMVLT-RDYJJYPNSA-N,,,,,,,,,,,
100.003.311,203-641-6,109-04-6,2-bromopyridine,2-bromopyridine,Brc1ccccn1,Brc1ccccn1,InChI=1/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H,C5H4BrN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18620,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.311,IMRWILPUOVGIMU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.333,203-665-7,109-32-0,8-methylnonyl nonan-1-oate,8-methylnonyl nonanoate,CCCCCCCCC(=O)OCCCCCCCC(C)C,CCCCCCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C19H38O2/c1-4-5-6-7-10-13-16-19(20)21-17-14-11-8-9-12-15-18(2)3/h18H,4-17H2,1-3H3",C19H38O2,,,,,,GBLPOPTXAXWWPO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.334,203-666-2,109-36-4,Octyl stearate,octyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC,"InChI=1/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h3-25H2,1-2H3",C26H52O2,,,,,,IIGMITQLXAGZTL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.342,203-675-1,109-49-9,Hex-5-en-2-one,hex-5-en-2-one,CC(=O)CCC=C,CC(=O)CCC=C,"InChI=1/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",C6H10O,,,,,,RNDVGJZUHCKENF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.960,202-155-1,92-43-3,1-phenyl-3-pyrazolidone,1-phenylpyrazolidin-3-one,O=C1CCN(N1)c2ccccc2,O=C1CCN(N1)c2ccccc2,"InChI=1/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)",C9H10N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17573,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.960,CMCWWLVWPDLCRM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.970,202-166-1,92-55-7,5-nitrofurfurylidene di(acetate),(5-nitro-2-furyl)methylene diacetate,CC(=O)OC(OC(=O)C)c1oc(cc1)[N+](=O)[O-],CC(=O)OC(OC(=O)C)c1oc(cc1)[N+](=O)[O-],"InChI=1/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3",C9H9NO7,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17561,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.970,HSXKWKJCZNRMJO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.974,202-170-3,92-60-4,4-[(ethylanilino)methyl]benzenesulphonic acid,4-{[ethyl(phenyl)amino]methyl}benzenesulfonic acid,CCN(Cc1ccc(cc1)S(O)(=O)=O)c2ccccc2,CCN(Cc1ccc(cc1)S(O)(=O)=O)c2ccccc2,"InChI=1/C15H17NO3S/c1-2-16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)",C15H17NO3S,,,,,,HSBRAZWXTOKJQF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.976,202-172-4,92-62-6,Proflavine,"acridine-3,6-diamine",Nc1ccc2cc3ccc(N)cc3nc2c1,Nc1ccc2cc3ccc(N)cc3nc2c1,"InChI=1/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",C13H11N3,,,,,,WDVSHHCDHLJJJR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.977,202-174-5,92-64-8,3-(N-(2-hydroxyethyl)anilino)propiononitrile,3-[(2-hydroxyethyl)(phenyl)amino]propanenitrile,OCCN(CCC#N)c1ccccc1,OCCN(CCC#N)c1ccccc1,"InChI=1/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2",C11H14N2O,,,,,,WZJJWQVBLSPALW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.980,202-177-1,92-67-1,Biphenyl-4-ylamine,biphenyl-4-amine,Nc1ccc(cc1)c2ccccc2,Nc1ccc(cc1)c2ccccc2,"InChI=1/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2",C12H11N,,,,,,DMVOXQPQNTYEKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.982,202-179-2,92-69-3,Biphenyl-4-ol,biphenyl-4-ol,Oc1ccc(cc1)c2ccccc2,Oc1ccc(cc1)c2ccccc2,"InChI=1/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H",C12H10O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11340,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.982,YXVFYQXJAXKLAK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.990,202-188-1,92-77-3,3-hydroxy-2-naphthanilide,3-hydroxy-N-phenyl-2-naphthamide,Oc1cc2ccccc2cc1C(=O)Nc3ccccc3,Oc1cc2ccccc2cc1C(=O)Nc3ccccc3,"InChI=1/C17H13NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h1-11,19H,(H,18,20)",C17H13NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6840,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.990,JFGQHAHJWJBOPD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.993,202-191-8,92-80-8,3-hydroxy-N-(2-hydroxyethyl)naphthalene-2-carboxamide,3-hydroxy-N-(2-hydroxyethyl)-2-naphthamide,OCCNC(=O)c1cc2ccccc2cc1O,OCCNC(=O)c1cc2ccccc2cc1O,"InChI=1/C13H13NO3/c15-6-5-14-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16/h1-4,7-8,15-16H,5-6H2,(H,14,17)",C13H13NO3,,,,,,VYHNSPUVKZPCDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.003,202-202-6,92-91-1,4'-phenylacetophenone,1-biphenyl-4-ylethanone,CC(=O)c1ccc(cc1)c2ccccc2,CC(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3",C14H12O,,,,,,QCZZSANNLWPGEA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.005,202-204-7,92-93-3,4-nitrobiphenyl,4-nitrobiphenyl,[O-][N+](=O)c1ccc(cc1)c2ccccc2,[O-][N+](=O)c1ccc(cc1)c2ccccc2,InChI=1/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,C12H9NO2,,,,,,BAJQRLZAPXASRD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.010,202-209-4,93-01-6,6-hydroxynaphthalene-2-sulphonic acid,6-hydroxynaphthalene-2-sulfonic acid,Oc1ccc2cc(ccc2c1)S(=O)(=O)O,Oc1ccc2cc(ccc2c1)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,11H,(H,12,13,14)",C10H8O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10227,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.010,VVPHSMHEYVOVLH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.013,202-213-6,93-04-9,Methyl 2-naphthyl ether,2-methoxynaphthalene,COc1ccc2ccccc2c1,COc1ccc2ccccc2c1,"InChI=1/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3",C11H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5694,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.013,LUZDYPLAQQGJEA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.016,202-216-2,93-08-3,2'-acetonaphthone,1-(2-naphthyl)ethanone,CC(=O)c1ccc2ccccc2c1,CC(=O)c1ccc2ccccc2c1,"InChI=1/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3",C12H10O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11282,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.016,XSAYZAUNJMRRIR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.544,201-698-1,86-77-1,Dibenzofuran-2-ol,"dibenzo[b,d]furan-2-ol",Oc1ccc2oc3ccccc3c2c1,Oc1ccc2oc3ccccc3c2c1,"InChI=1/C12H8O2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,13H",C12H8O2,,,,,,HGIDRHWWNZRUEP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.548,201-702-1,86-83-9,N-1-naphthyl-3-oxobutyramide,N-1-naphthyl-3-oxobutanamide,CC(=O)CC(=O)Nc1cccc2ccccc12,CC(=O)CC(=O)Nc1cccc2ccccc12,"InChI=1/C14H13NO2/c1-10(16)9-14(17)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,15,17)",C14H13NO2,,,,,,LKVXQCKDIYHFGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.550,201-704-2,86-86-2,2-(1-naphthyl)acetamide,2-(1-naphthyl)acetamide,NC(=O)Cc1cccc2ccccc12,NC(=O)Cc1cccc2ccccc12,"InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)",C12H11NO,,,,,,XFNJVKMNNVCYEK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.553,201-707-9,86-90-8,4-bromophthalic anhydride,"5-bromo-2-benzofuran-1,3-dione",Brc1ccc2C(=O)OC(=O)c2c1,Brc1ccc2C(=O)OC(=O)c2c1,InChI=1/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H,C8H3BrO3,,,,,,BCKVHOUUJMYIAN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.554,201-708-4,86-92-0,3-methyl-1-p-tolyl-5-pyrazolone,"5-methyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-one",CC1=CC(=O)N(N1)c2ccc(C)cc2,CC1=CC(=O)N(N1)c2ccc(C)cc2,"InChI=1/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-7,12H,1-2H3",C11H12N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7029,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.554,YAVQZXBVUORYNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.556,201-711-0,86-95-3,"Quinoline-2,4-diol","quinoline-2,4-diol",Oc1cc(O)c2ccccc2n1,Oc1cc(O)c2ccccc2n1,"InChI=1/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)",C9H7NO2,,,,,,HDHQZCHIXUUSMK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.558,201-713-1,86-97-5,5-amino-2-naphthol,5-amino-2-naphthol,Nc1cccc2cc(O)ccc12,Nc1cccc2cc(O)ccc12,"InChI=1/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2",C10H9NO,,,,,,FSBRKZMSECKELY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.559,201-714-7,86-98-6,"4,7-dichloroquinoline","4,7-dichloroquinoline",Clc1ccc2c(Cl)ccnc2c1,Clc1ccc2c(Cl)ccnc2c1,InChI=1/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,C9H5Cl2N,,,,,,HXEWMTXDBOQQKO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.560,201-715-2,86-99-7,7-chloroquinolin-4-ol,7-chloroquinolin-4-ol,Oc1ccnc2cc(Cl)ccc12,Oc1ccnc2cc(Cl)ccc12,"InChI=1/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)",C9H6ClNO,,,,,,XMFXTXKSWIDMER-UHFFFAOYSA-N,,,,,,,,,,,
100.001.561,201-716-8,87-00-3,Homatropine,8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,"InChI=1/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3",C16H21NO3,,,,,,ZTVIKZXZYLEVOL-MCOXGKPRSA-N,,,,,,,,,,,
100.001.562,201-717-3,87-01-4,7-(dimethylamino)-4-methyl-2-benzopyrone,7-(dimethylamino)-4-methyl-2H-chromen-2-one,CN(C)c1ccc2C(=CC(=O)Oc2c1)C,CN(C)c1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3",C12H13NO2,,,,,,GZEYLLPOQRZUDF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.564,201-719-4,87-03-6,"4,4'-dihydroxy-7,7'-iminodi(naphthalene-2-sulphonic acid)","7,7'-iminobis(4-hydroxynaphthalene-2-sulfonic acid)",Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)O)ccc12)S(=O)(=O)O,Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)O)ccc12)S(=O)(=O)O,"InChI=1/C20H15NO8S2/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)",C20H15NO8S2,,,,,,BQVLLTHCZQAJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.566,201-722-0,87-08-1,Phenoxymethylpenicillin,"3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",C[C@@]3(C)S[C@H]2N(C(=O)[C@H]2NC(=O)COc1ccccc1)[C@H]3C(O)=O,C[C@@]3(C)S[C@H]2N(C(=O)[C@H]2NC(=O)COc1ccccc1)[C@H]3C(O)=O,"InChI=1/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C16H18N2O5S,,,,,,BPLBGHOLXOTWMN-MBNYWOFBSA-N,,,,,,,,,,,
100.001.569,201-725-7,87-13-8,Diethyl ethoxymethylenemalonate,diethyl (ethoxymethylene)malonate,CCOC=C(C(=O)OCC)C(=O)OCC,CCOC=C(C(=O)OCC)C(=O)OCC,"InChI=1/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3",C10H16O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12518,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.569,LTMHNWPUDSTBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.572,201-728-3,87-18-3,4-tert-butylphenyl salicylate,4-tert-butylphenyl salicylate,CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1,CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1,"InChI=1/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3",C17H18O3,,,,,,DBOSBRHMHBENLP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.574,201-730-4,87-20-7,Isopentyl salicylate,3-methylbutyl salicylate,CC(C)CCOC(=O)c1ccccc1O,CC(C)CCOC(=O)c1ccccc1O,"InChI=1/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",C12H16O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17226,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.574,PMGCQNGBLMMXEW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.576,201-733-0,87-23-0,2-(acetoxy)ethyl salicylate,2-acetoxyethyl salicylate,CC(=O)OCCOC(=O)c1ccccc1O,CC(=O)OCCOC(=O)c1ccccc1O,"InChI=1/C11H12O5/c1-8(12)15-6-7-16-11(14)9-4-2-3-5-10(9)13/h2-5,13H,6-7H2,1H3",C11H12O5,,,,,,MOWWOOBXTGKYPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.579,201-736-7,87-26-3,2-(1-methylbutyl)phenol,2-(1-methylbutyl)phenol,CCCC(C)c1ccccc1O,CCCC(C)c1ccccc1O,"InChI=1/C11H16O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9,12H,3,6H2,1-2H3",C11H16O,,,,,,ROMXEVFSCNLHAB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.174,201-290-3,80-55-7,Ethyl 2-hydroxy-2-methylpropionate,ethyl 2-hydroxy-2-methylpropanoate,CCOC(=O)C(C)(C)O,CCOC(=O)C(C)(C)O,"InChI=1/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3",C6H12O3,,,,,,GFUIDHWFLMPAGY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.176,201-292-4,80-57-9,"4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one",CC1=CC(=O)C2CC1C2(C)C,CC1=CC(=O)C2CC1C2(C)C,"InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3",C10H14O,,,,,,DCSCXTJOXBUFGB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.181,201-298-7,80-63-7,Methyl 2-chloroacrylate,methyl 2-chloroacrylate,COC(=O)C(=C)Cl,COC(=O)C(=C)Cl,"InChI=1/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3",C4H5ClO2,,,,,,AWJZTPWDQYFQPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.190,201-307-4,80-77-3,Chlormezanone,"2-(4-chlorophenyl)-3-methyl-1,3-thiazinan-4-one 1,1-dioxide",CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O,CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O,"InChI=1/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3",C11H12ClNO3S,,,,,,WEQAYVWKMWHEJO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.198,201-316-3,81-03-8,"1,1,3,3,5-pentamethylindan","1,1,3,3,5-pentamethylindane",Cc1ccc2c(c1)C(C)(C)CC2(C)C,Cc1ccc2c(c1)C(C)(C)CC2(C)C,"InChI=1/C14H20/c1-10-6-7-11-12(8-10)14(4,5)9-13(11,2)3/h6-8H,9H2,1-5H3",C14H20,,,,,,NNXHDILUOAXSPU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.199,201-317-9,81-04-9,"Naphthalene-1,5-disulphonic acid","naphthalene-1,5-disulfonic acid",OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O,OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O,"InChI=1/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)",C10H8O6S2,,,,,,XTEGVFVZDVNBPF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.207,201-326-8,81-12-9,a-hydroxy-p-methoxytoluene-a-sulphonic acid,hydroxy(4-methoxyphenyl)methanesulfonic acid,COc1ccc(cc1)C(O)S(=O)(=O)O,COc1ccc(cc1)C(O)S(=O)(=O)O,"InChI=1/C8H10O5S/c1-13-7-4-2-6(3-5-7)8(9)14(10,11)12/h2-5,8-9H,1H3,(H,10,11,12)",C8H10O5S,,,,,,NDMUEXKPRHMWRH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.212,201-332-0,81-19-6,"a,a,2,6-tetrachlorotoluene","1,3-dichloro-2-(dichloromethyl)benzene",ClC(Cl)c1c(Cl)cccc1Cl,ClC(Cl)c1c(Cl)cccc1Cl,"InChI=1/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H",C7H4Cl4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12005,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.212,QQPXXHAEIGVZKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.251,201-375-5,81-77-6,"6,15-dihydroanthrazine-5,9,14,18-tetrone","6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrone",O=C1c2ccccc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc13,O=C1c2ccccc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc13,"InChI=1/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H",C28H14N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13805,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.251,UHOKSCJSTAHBSO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.252,201-376-0,81-78-7,"2,2'-[(9,10-dihydro-9,10-dioxo-1,5-anthrylene)diimino]bisbenzoic acid","2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]dibenzoic acid",OC(=O)c1ccccc1Nc2cccc3C(=O)c4c(Nc5ccccc5C(=O)O)cccc4C(=O)c23,OC(=O)c1ccccc1Nc2cccc3C(=O)c4c(Nc5ccccc5C(=O)O)cccc4C(=O)c23,"InChI=1/C28H18N2O6/c31-25-18-10-6-14-22(30-20-12-4-2-8-16(20)28(35)36)24(18)26(32)17-9-5-13-21(23(17)25)29-19-11-3-1-7-15(19)27(33)34/h1-14,29-30H,(H,33,34)(H,35,36)",C28H18N2O6,,,,,,VBKQODJWSGDGNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.254,201-378-1,81-82-3,Coumachlor,3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(Cl)cc3,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(Cl)cc3,"InChI=1/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3",C19H15ClO4,,,,,,DEKWZWCFHUABHE-UHFFFAOYSA-N,Positive/Negative,EQ309001|EQ309002|EQ309003|EQ309004|EQ309005|EQ309006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,163.039:343.0733:285.0313|163.039:285.0313:181.0414|163.0389:285.0314:217.0416|163.039:285.0315:217.0417|121.0284:163.039:95.0492|121.0284:95.0492:163.039,Eawag,EQ309051|EQ309052|EQ309053|EQ309054|EQ309055|EQ309056,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,341.0585:161.0244:284.0248|161.0244:284.0245:341.0585|284.0245:161.0244:117.0347|161.0244:117.0347:284.0245|117.0347:161.0244:57.0346|117.0347:57.0346:161.0244,Eawag
100.001.257,201-381-8,81-85-6,"6-bromo-3-methyl-3H-dibenz[f,ij]isoquinoline-2,7-dione","6-bromo-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione",CN1C(=O)C=C2c3ccccc3C(=O)c4c(Br)ccc1c24,CN1C(=O)C=C2c3ccccc3C(=O)c4c(Br)ccc1c24,"InChI=1/C17H10BrNO2/c1-19-13-7-6-12(18)16-15(13)11(8-14(19)20)9-4-2-3-5-10(9)17(16)21/h2-8H,1H3",C17H10BrNO2,,,,,,QTNAUUGQZYCWGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.259,201-383-9,81-88-9,"9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride","9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium chloride",[Cl-].CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,[Cl-].CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,"InChI=1/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H",C28H31N2O3.Cl,,,,,,KJXVAHBDYUPVIM-UHFFFAOYSA-M,,,,,,,,,,,
100.001.261,201-386-5,81-92-5,o-[bis(p-hydroxyphenyl)methyl]benzyl alcohol,"4,4'-{[2-(hydroxymethyl)phenyl]methylene}diphenol",OCc1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,OCc1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,"InChI=1/C20H18O3/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20-23H,13H2",C20H18O3,,,,,,CREICILGVGNQBH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.269,201-394-9,82-07-5,Xanthene-9-carboxylic acid,9H-xanthene-9-carboxylic acid,OC(=O)C1c2ccccc2Oc3ccccc13,OC(=O)C1c2ccccc2Oc3ccccc13,"InChI=1/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)",C14H10O3,,,,,,VSBFNCXKYIEYIS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.019,202-219-9,93-11-8,Naphthalene-2-sulphonyl chloride,naphthalene-2-sulfonyl chloride,ClS(=O)(=O)c1ccc2ccccc2c1,ClS(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H",C10H7ClO2S,,,,,,OPECTNGATDYLSS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.020,202-220-4,93-13-0,[(2-methoxyphenyl)amino]methanesulphonic acid,[(2-methoxyphenyl)amino]methanesulfonic acid,COc1ccccc1NCS(=O)(=O)O,COc1ccccc1NCS(=O)(=O)O,"InChI=1/C8H11NO4S/c1-13-8-5-3-2-4-7(8)9-6-14(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)",C8H11NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17353,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.020,WJORFFDFYBZRJH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.026,202-227-2,93-19-6,2-isobutylquinoline,2-isobutylquinoline,CC(C)Cc1ccc2ccccc2n1,CC(C)Cc1ccc2ccccc2n1,"InChI=1/C13H15N/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12/h3-8,10H,9H2,1-2H3",C13H15N,,,,,,FAQVGPWFQGGIPP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.029,202-230-9,93-23-2,2-dodecylisoquinolinium bromide,2-dodecylisoquinolinium bromide,[Br-].CCCCCCCCCCCC[n+]1ccc2ccccc2c1,[Br-].CCCCCCCCCCCC[n+]1ccc2ccccc2c1,"InChI=1/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1",C21H32N.Br,,,,,,MSJLMQTXVKCUCD-UHFFFAOYSA-M,,,,,,,,,,,
100.002.032,202-234-0,93-27-6,N-(2-methoxy-4-nitrophenyl)acetamide,N-(2-methoxy-4-nitrophenyl)acetamide,COc1cc(ccc1NC(=O)C)[N+](=O)[O-],COc1cc(ccc1NC(=O)C)[N+](=O)[O-],"InChI=1/C9H10N2O4/c1-6(12)10-8-4-3-7(11(13)14)5-9(8)15-2/h3-5H,1-2H3,(H,10,12)",C9H10N2O4,,,,,,DQWRNQKJPNUTPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.034,202-236-1,93-29-8,2-methoxy-4-prop-1-enylphenyl acetate,2-methoxy-4-prop-1-en-1-ylphenyl acetate,COc1cc(ccc1OC(C)=O)C=CC,COc1cc(ccc1OC(C)=O)C=CC,"InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3",C12H14O3,,,,,,IUSBVFZKQJGVEP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.036,202-238-2,93-31-2,"N-[2-(3,4-dimethoxyphenyl)-1-methylethyl]-4-ethoxy-3-methoxyphenylacetamide","N-[2-(3,4-dimethoxyphenyl)-1-methylethyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide",CCOc1ccc(CC(=O)NC(C)Cc2ccc(OC)c(OC)c2)cc1OC,CCOc1ccc(CC(=O)NC(C)Cc2ccc(OC)c(OC)c2)cc1OC,"InChI=1/C22H29NO5/c1-6-28-19-10-8-17(13-21(19)27-5)14-22(24)23-15(2)11-16-7-9-18(25-3)20(12-16)26-4/h7-10,12-13,15H,6,11,14H2,1-5H3,(H,23,24)",C22H29NO5,,,,,,UGBCLZKPTMPXNS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.040,202-242-4,93-37-8,"2,7-dimethylquinoline","2,7-dimethylquinoline",Cc1ccc2ccc(C)nc2c1,Cc1ccc2ccc(C)nc2c1,"InChI=1/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3",C11H11N,,,,,,QXKPLNCZSFACPU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.044,202-247-1,93-44-7,2-naphthyl benzoate,2-naphthyl benzoate,O=C(Oc1ccc2ccccc2c1)c3ccccc3,O=C(Oc1ccc2ccccc2c1)c3ccccc3,InChI=1/C17H12O2/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,C17H12O2,,,,,,DWJIJRSTYFPKGD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.046,202-249-2,93-46-9,"N,N'-di-2-naphthyl-p-phenylenediamine","N,N'-di-2-naphthylbenzene-1,4-diamine",N(c1ccc(Nc2ccc3ccccc3c2)cc1)c4ccc5ccccc5c4,N(c1ccc(Nc2ccc3ccccc3c2)cc1)c4ccc5ccccc5c4,"InChI=1/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H",C26H20N2,,,,,,VETPHHXZEJAYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.048,202-251-3,93-50-5,4-chloro-o-anisidine,4-chloro-2-methoxyaniline,COc1cc(Cl)ccc1N,COc1cc(Cl)ccc1N,"InChI=1/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3",C7H8ClNO,,,,,,WOXLPNAOCCIZGP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.052,202-256-0,93-54-9,1-phenylpropan-1-ol,1-phenylpropan-1-ol,CCC(O)c1ccccc1,CCC(O)c1ccccc1,"InChI=1/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3",C9H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11867,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.052,DYUQAZSOFZSPHD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.056,202-260-2,93-59-4,Perbenzoic acid,benzenecarboperoxoic acid,OOC(=O)c1ccccc1,OOC(=O)c1ccccc1,"InChI=1/C7H6O3/c8-7(10-9)6-4-2-1-3-5-6/h1-5,9H",C7H6O3,,,,,,XCRBXWCUXJNEFX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.059,202-263-9,93-62-9,2-hydroxyethyliminodi(acetic acid),"2,2'-[(2-hydroxyethyl)imino]diacetic acid",OCCN(CC(=O)O)CC(=O)O,OCCN(CC(=O)O)CC(=O)O,"InChI=1/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)",C6H11NO5,,,,,,JYXGIOKAKDAARW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.060,202-264-4,93-65-2,2-(4-chloro-2-methylphenoxy)propionic acid,2-(4-chloro-2-methylphenoxy)propanoic acid,CC(Oc1ccc(Cl)cc1C)C(=O)O,CC(Oc1ccc(Cl)cc1C)C(=O)O,"InChI=1/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",C10H11ClO3,,,,,,WNTGYJSOUMFZEP-UHFFFAOYSA-N,Negative,,,,,,SM842051;EA030851|EA030852|EA030853|EA030854|EA030855|EA030856|EA030857|EA030858|EA030859|EA030860|EA030861|EA030862|EA030863|EA030864,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,141.0112:213.0324:169.0425;141.0115:71.0139:169.0429|141.0113:213.0325:71.0138|141.0114:213.0319:71.0138|141.0113:71.0137|141.0114:71.0139|141.0111:121.0293:105.0347|141.0111:121.0297:105.0346|141.0113:213.0324:71.0138|141.0113:71.0138:213.0325|141.0112:71.0137|141.0112:71.0136:121.0293|141.0113:121.0293:105.0345|141.0111:121.0298:105.0344|141.0114:71.0138:169.0423,CASMI_2016;Eawag
100.002.065,202-270-7,93-71-0,Allidochlor,"N,N-diallyl-2-chloroacetamide",ClCC(=O)N(CC=C)CC=C,ClCC(=O)N(CC=C)CC=C,"InChI=1/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2",C8H12ClNO,,,,,,MDBGGTQNNUOQRC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.066,202-271-2,93-72-1,Fenoprop,"2-(2,4,5-trichlorophenoxy)propanoic acid",CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,"InChI=1/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)",C9H7Cl3O3,,,,,,ZLSWBLPERHFHIS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.068,202-273-3,93-76-5,"2,4,5-T","(2,4,5-trichlorophenoxy)acetic acid",OC(=O)COc1cc(Cl)c(Cl)cc1Cl,OC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)",C8H5Cl3O3,,,,,,SMYMJHWAQXWPDB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.587,201-745-6,87-42-3,6-chloropurine,6-chloro-9H-purine,Clc1ncnc2[nH]cnc12,Clc1ncnc2[nH]cnc12,"InChI=1/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)",C5H3ClN4,,,,,,ZKBQDFAWXLTYKS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.589,201-747-7,87-48-9,"5-bromoindoline-2,3-dione","5-bromo-1H-indole-2,3-dione",Brc1ccc2NC(=O)C(=O)c2c1,Brc1ccc2NC(=O)C(=O)c2c1,"InChI=1/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)",C8H4BrNO2,,,,,,MBVCESWADCIXJN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.592,201-750-3,87-53-6,"(2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)O,"InChI=1/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)",C8H11NO3S,,,,,,RBKMMJSQKNKNEV-RITPCOANSA-N,,,,,,,,,,,
100.001.595,201-754-5,87-58-1,"2,3,4,5-tetraiodopyrrole","2,3,4,5-tetraiodo-1H-pyrrole",Ic1[nH]c(I)c(I)c1I,Ic1[nH]c(I)c(I)c1I,InChI=1/C4HI4N/c5-1-2(6)4(8)9-3(1)7/h9H,C4HI4N,,,,,,VJOVAKSZILJDBB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.596,201-755-0,87-59-2,"2,3-xylidine","2,3-dimethylaniline",Cc1cccc(N)c1C,Cc1cccc(N)c1C,"InChI=1/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3",C8H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11559,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.596,VVAKEQGKZNKUSU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.599,201-758-7,87-62-7,"2,6-xylidine","2,6-dimethylaniline",Cc1cccc(C)c1N,Cc1cccc(C)c1N,"InChI=1/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3",C8H11N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13610,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.599,UFFBMTHBGFGIHF-UHFFFAOYSA-N,Positive,SM809801;TUE00021|TUE00022|TUE00023;UF414601|UF414602|UF414603|UF414604,[M+H]+;[M+H]+;[M+H]+,HCD35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55,122.0964:105.0699:107.0729;122.0964:105.07:107.0728|105.0699:79.0542:77.0387|77.0386:51.0227:79.0541;122.0969:105.0703:107.0733|105.0703:122.0969:107.0733|122.0968:107.0733:105.0702|107.0733:105.0702:133.0766,CASMI_2016;Env_Anal_Chem_U_Tuebingen;UFZ,,,,,
100.001.600,201-759-2,87-63-8,6-chloro-o-toluidine,2-chloro-6-methylaniline,Cc1cccc(Cl)c1N,Cc1cccc(Cl)c1N,"InChI=1/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3",C7H8ClN,,,,,,WFNLHDJJZSJARK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.603,201-762-9,87-66-1,Pyrogallol,"benzene-1,2,3-triol",Oc1cccc(O)c1O,Oc1cccc(O)c1O,"InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",C6H6O3,,,,,,WQGWDDDVZFFDIG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.607,201-767-6,87-72-9,L-arabinopyranose,L-arabinopyranose,O[C@H]1COC(O)[C@H](O)[C@H]1O,O[C@H]1COC(O)[C@H](O)[C@H]1O,"InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2",C5H10O5,,,,,,SRBFZHDQGSBBOR-HWQSCIPKSA-N,,,,,,,,,,,
100.001.608,201-768-1,87-73-0,D-glucaric acid,D-glucaric acid,O[C@@H]([C@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O,O[C@@H]([C@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O,"InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)",C6H10O8,,,,,,DSLZVSRJTYRBFB-LLEIAEIESA-N,,,,,,,,,,,
100.001.610,201-770-2,87-78-5,Mannitol,D-mannitol,O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO,O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO,"InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2",C6H14O6,,,,,,FBPFZTCFMRRESA-KVTDHHQDSA-N,,,,,,,,,,,
100.001.614,201-774-4,87-83-2,"2,3,4,5,6-pentabromotoluene","1,2,3,4,5-pentabromo-6-methylbenzene",Cc1c(Br)c(Br)c(Br)c(Br)c1Br,Cc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3,C7H3Br5,,,,,,OZHJEQVYCBTHJT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.628,200-691-0,68-60-0,"3a,17,21-trihydroxy-5ß-pregnan-20-one","3,17,21-trihydroxypregnan-20-one",C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO,"InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3",C21H34O4,,,,,,UPTAPIKFKZGAGM-FAIYVORSSA-N,,,,,,,,,,,
100.000.635,200-698-9,68-95-1,1-acetyl-L-proline,1-acetyl-L-proline,CC(=O)N1CCC[C@H]1C(=O)O,CC(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)",C7H11NO3,,,,,,GNMSLDIYJOSUSW-LURJTMIESA-N,,,,,,,,,,,
100.000.637,200-700-8,69-05-6,Mepacrine hydrochloride,"N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine hydrochloride",Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,"InChI=1/C23H30ClN3O.ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);1H",C23H30ClN3O.2ClH,,,,,,UKZANTJXIMWQCH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.638,200-701-3,69-09-0,Chlorpromazine hydrochloride,"3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine hydrochloride",Cl.CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,Cl.CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,"InChI=1/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H",C17H19ClN2S.ClH,,,,,,FBSMERQALIEGJT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.648,200-712-3,69-72-7,Salicylic acid,salicylic acid,OC(=O)c1ccccc1O,OC(=O)c1ccccc1O,"InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",C7H6O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14544,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.648,YGSDEFSMJLZEOE-UHFFFAOYSA-N,Positive/Negative,EQ369601|EQ369602|EQ369603|EQ369604|EQ369605|EQ369606|EQ369607|EQ369608|EQ369609,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,121.0285:139.0391:69.0335|121.0285:139.0391:69.0335|121.0285:139.0391:69.0335|121.0285:121.0397:65.0386|121.0285:65.0386:121.0397|65.0386:121.0285:121.0397|65.0386:121.0397:121.0285|65.0386:53.0022:51.023|65.0386:53.0022:51.023,Eawag,EQ369651|EQ369652|EQ369653|EQ369654|EQ369655|EQ369656|EQ369657|EQ369658|EQ369659,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,93.0346:137.0245|93.0346:137.0245|93.0346:137.0245:65.0397|93.0346:137.0245:65.0397|93.0346:65.0397:137.0245|93.0346:65.0397:75.0241|93.0346:65.0397:75.0241|93.0346:65.0397:75.0241|65.0397:93.0346:75.0241,Eawag
100.000.665,200-731-7,70-26-8,L-ornithine,L-ornithine,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O,"InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",C5H12N2O2,,,,,,AHLPHDHHMVZTML-BYPYZUCNSA-N,,,,,,,,,,,
100.001.272,201-398-0,82-16-6,"1,8-bis[(4-methylphenyl)amino]anthraquinone","1,8-bis[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2cccc3C(=O)c4cccc(Nc5ccc(C)cc5)c4C(=O)c23)cc1,Cc1ccc(Nc2cccc3C(=O)c4cccc(Nc5ccc(C)cc5)c4C(=O)c23)cc1,"InChI=1/C28H22N2O2/c1-17-9-13-19(14-10-17)29-23-7-3-5-21-25(23)28(32)26-22(27(21)31)6-4-8-24(26)30-20-15-11-18(2)12-16-20/h3-16,29-30H,1-2H3",C28H22N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17314,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.272,YNPQDABMOAMHNC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.273,201-399-6,82-17-7,"1,8-diphenoxyanthraquinone","1,8-diphenoxy-9,10-anthraquinone",O=C1c2cccc(Oc3ccccc3)c2C(=O)c4c(Oc5ccccc5)cccc14,O=C1c2cccc(Oc3ccccc3)c2C(=O)c4c(Oc5ccccc5)cccc14,InChI=1/C26H16O4/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H,C26H16O4,,,,,,ADJYQFBOMQAMAI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.275,201-402-0,82-19-9,"N,N'-anthraquinone-1,5-diyldi(oxamic acid)","2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]bis(oxoacetic acid)",OC(=O)C(=O)Nc1cccc2C(=O)c3c(NC(=O)C(=O)O)cccc3C(=O)c12,OC(=O)C(=O)Nc1cccc2C(=O)c3c(NC(=O)C(=O)O)cccc3C(=O)c12,"InChI=1/C18H10N2O8/c21-13-7-3-1-5-9(19-15(23)17(25)26)11(7)14(22)8-4-2-6-10(12(8)13)20-16(24)18(27)28/h1-6H,(H,19,23)(H,20,24)(H,25,26)(H,27,28)",C18H10N2O8,,,,,,LNDNGSJOTCICSM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.290,201-418-8,82-39-3,1-methoxyanthraquinone,"1-methoxy-9,10-anthraquinone",COc1cccc2C(=O)c3ccccc3C(=O)c12,COc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3",C15H10O3,,,,,,CQGDBBBZCJYDRY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.293,201-421-4,82-44-0,1-chloroanthraquinone,"1-chloro-9,10-anthraquinone",Clc1cccc2C(=O)c3ccccc3C(=O)c12,Clc1cccc2C(=O)c3ccccc3C(=O)c12,InChI=1/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,C14H7ClO2,,,,,,BOCJQSFSGAZAPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.786,200-864-0,75-35-4,"1,1-dichloroethylene","1,1-dichloroethene",ClC(=C)Cl,ClC(=C)Cl,InChI=1/C2H2Cl2/c1-2(3)4/h1H2,C2H2Cl2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15622,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.786,LGXVIGDEPROXKC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.791,200-869-8,75-43-4,Dichlorofluoromethane,dichloro(fluoro)methane,FC(Cl)Cl,FC(Cl)Cl,InChI=1/CHCl2F/c2-1(3)4/h1H,CHCl2F,,,,,,UMNKXPULIDJLSU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.802,200-881-3,75-58-1,Tetramethylammonium iodide,"N,N,N-trimethylmethanaminium iodide",[I-].C[N+](C)(C)C,[I-].C[N+](C)(C)C,"InChI=1/C4H12N.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",C4H12N.I,,,,,,RXMRGBVLCSYIBO-UHFFFAOYSA-M,,,,,,,,,,,
100.000.804,200-883-4,75-60-5,Dimethylarsinic acid,dimethylarsinic acid,C[As](=O)(C)O,C[As](=O)(C)O,"InChI=1/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)",C2H7AsO2,,,,,,OGGXGZAMXPVRFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.805,200-885-5,75-61-6,Dibromodifluoromethane,dibromo(difluoro)methane,FC(F)(Br)Br,FC(F)(Br)Br,"InChI=1/CBr2F2/c2-1(3,4)5",CBr2F2,,,,,,AZSZCFSOHXEJQE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.819,200-900-5,75-77-4,Chlorotrimethylsilane,chloro(trimethyl)silane,C[Si](C)(C)Cl,C[Si](C)(C)Cl,"InChI=1/C3H9ClSi/c1-5(2,3)4/h1-3H3",C3H9ClSi,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14726,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.819,IJOOHPMOJXWVHK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.821,200-902-6,75-79-6,Trichloro(methyl)silane,trichloro(methyl)silane,C[Si](Cl)(Cl)Cl,C[Si](Cl)(Cl)Cl,"InChI=1/CH3Cl3Si/c1-5(2,3)4/h1H3",CH3Cl3Si,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15120,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.821,JLUFWMXJHAVVNN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.828,200-909-4,75-86-5,2-hydroxy-2-methylpropionitrile,2-hydroxy-2-methylpropanenitrile,CC(C)(O)C#N,CC(C)(O)C#N,"InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3",C4H7NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14841,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.828,MWFMGBPGAXYFAR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.831,200-913-6,75-89-8,"2,2,2-trifluoroethanol","2,2,2-trifluoroethanol",OCC(F)(F)F,OCC(F)(F)F,"InChI=1/C2H3F3O/c3-2(4,5)1-6/h6H,1H2",C2H3F3O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13741,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.831,RHQDFWAXVIIEBN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.834,200-916-2,75-93-4,Methyl hydrogen sulphate,methyl hydrogen sulfate,COS(=O)(=O)O,COS(=O)(=O)O,"InChI=1/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)",CH4O4S,,,,,,JZMJDSHXVKJFKW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.838,200-920-4,75-97-8,"3,3-dimethylbutanone","3,3-dimethylbutan-2-one",CC(=O)C(C)(C)C,CC(=O)C(C)(C)C,"InChI=1/C6H12O/c1-5(7)6(2,3)4/h1-4H3",C6H12O,,,,,,PJGSXYOJTGTZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.839,200-922-5,75-98-9,Pivalic acid,pivalic acid,CC(C)(C)C(=O)O,CC(C)(C)C(=O)O,"InChI=1/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)",C5H10O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18932,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.839,IUGYQRQAERSCNH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.295,201-424-0,82-46-2,"1,5-dichloroanthraquinone","1,5-dichloro-9,10-anthraquinone",Clc1cccc2C(=O)c3c(Cl)cccc3C(=O)c12,Clc1cccc2C(=O)c3c(Cl)cccc3C(=O)c12,InChI=1/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,C14H6Cl2O2,,,,,,MQIUMARJCOGCIM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.296,201-425-6,82-47-3,"4-amino-5-hydroxynaphthalene-1,3-disulphonic acid","4-amino-5-hydroxynaphthalene-1,3-disulfonic acid",Nc1c(cc(c2cccc(O)c12)S(=O)(=O)O)S(=O)(=O)O,Nc1c(cc(c2cccc(O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO7S2/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)",C10H9NO7S2,,,,,,ZFRBZRZEKIOGQI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.077,202-283-8,93-85-6,2-aminobenzothiazole-6-carboxylic acid,"2-amino-1,3-benzothiazole-6-carboxylic acid",Nc1nc2ccc(cc2s1)C(=O)O,Nc1nc2ccc(cc2s1)C(=O)O,"InChI=1/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)",C8H6N2O2S,,,,,,ZEAKWWWXCZMODH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.079,202-285-9,93-90-3,2-(N-methylanilino)ethanol,2-[methyl(phenyl)amino]ethanol,CN(CCO)c1ccccc1,CN(CCO)c1ccccc1,"InChI=1/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3",C9H13NO,,,,,,VIIZJXNVVJKISZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.081,202-288-5,93-92-5,1-phenylethyl acetate,1-phenylethyl acetate,CC(OC(=O)C)c1ccccc1,CC(OC(=O)C)c1ccccc1,"InChI=1/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3",C10H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12745,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.081,QUMXDOLUJCHOAY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.083,202-290-6,93-96-9,"1,1'-(oxydiethylidene)bisbenzene","1,1'-(oxydiethane-1,1-diyl)dibenzene",CC(OC(C)c1ccccc1)c2ccccc2,CC(OC(C)c1ccccc1)c2ccccc2,"InChI=1/C16H18O/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3",C16H18O,,,,,,WXAVSTZWKNIWCN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.086,202-293-2,93-99-2,Phenyl benzoate,phenyl benzoate,O=C(Oc1ccccc1)c2ccccc2,O=C(Oc1ccccc1)c2ccccc2,InChI=1/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,C13H10O2,,,,,,FCJSHPDYVMKCHI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.089,202-296-9,94-03-1,"1,1'-dimethyl-2,2'-oxydiethyl dibenzoate","oxydipropane-1,2-diyl dibenzoate",CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2,CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2,"InChI=1/C20H22O5/c1-15(24-19(21)17-9-5-3-6-10-17)13-23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3",C20H22O5,,,,,,IZYUWBATGXUSIK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.090,202-297-4,94-04-2,Vinyl 2-ethylhexanoate,vinyl 2-ethylhexanoate,CCCCC(CC)C(=O)OC=C,CCCCC(CC)C(=O)OC=C,"InChI=1/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3",C10H18O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13394,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.090,IGBZOHMCHDADGY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.091,202-299-5,94-05-3,Ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,CCO\\C=C(\\C#N)/C(=O)OCC,CCO\C=C(\C#N)/C(=O)OCC,"InChI=1/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3",C8H11NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12677,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.091,KTMGNAIGXYODKQ-SREVYHEPSA-N,,,,,,,,,,,
100.002.095,202-304-0,94-10-0,Etoxazene,"4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine",CCOc1ccc(cc1)N=Nc2ccc(N)cc2N,CCOc1ccc(cc1)N=Nc2ccc(N)cc2N,"InChI=1/C14H16N4O/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16/h3-9H,2,15-16H2,1H3",C14H16N4O,,,,,,GAWOVNGQYQVFLI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.101,202-310-3,94-17-7,Bis(4-chlorobenzoyl) peroxide,bis(4-chlorophenyl)peroxyanhydride,Clc1ccc(cc1)C(=O)OOC(=O)c2ccc(Cl)cc2,Clc1ccc(cc1)C(=O)OOC(=O)c2ccc(Cl)cc2,InChI=1/C14H8Cl2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H,C14H8Cl2O4,,,,,,OXYKVVLTXXXVRT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.105,202-315-0,94-21-3,3-[(4-formylphenyl)methylamino]propiononitrile,3-[(4-formylphenyl)(methyl)amino]propanenitrile,CN(CCC#N)c1ccc(C=O)cc1,CN(CCC#N)c1ccc(C=O)cc1,"InChI=1/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3",C11H12N2O,,,,,,DNRTTXXWWAKULZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.109,202-319-2,94-28-0,"2,2'-ethylenedioxydiethyl bis(2-ethylhexanoate)","ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(2-ethylhexanoate)",CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC,"InChI=1/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3",C22H42O6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15760,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.109,FRQDZJMEHSJOPU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.111,202-321-3,94-31-5,p-[(2-chloroethyl)methylamino]benzaldehyde,4-[(2-chloroethyl)(methyl)amino]benzaldehyde,CN(CCCl)c1ccc(C=O)cc1,CN(CCCl)c1ccc(C=O)cc1,"InChI=1/C10H12ClNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3",C10H12ClNO,,,,,,IYFULQJDHJGQKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.114,202-325-5,94-34-8,3-(N-methylanilino)propiononitrile,3-[methyl(phenyl)amino]propanenitrile,CN(CCC#N)c1ccccc1,CN(CCC#N)c1ccccc1,"InChI=1/C10H12N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,9H2,1H3",C10H12N2,,,,,,IXXLKTZOCSRXEM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.120,202-331-8,94-43-9,Phenylmercury benzoate,phenylmercury(1+) benzoate,[O-]C(=O)c1ccccc1.[Hg+]c2ccccc2,[O-]C(=O)c1ccccc1.[Hg+]c2ccccc2,"InChI=1/C7H6O2.C6H5.Hg/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H,8,9);1-5H;/q;;+1/p-1/rC7H6O2.C6H5Hg/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);1-5H/q;+1/p-1",C13H10HgO2,,,,,,ZXFQZMVPEYERPI-UHFFFAOYSA-M,,,,,,,,,,,
100.002.121,202-332-3,94-44-0,Benzyl nicotinate,benzyl nicotinate,O=C(OCc1ccccc1)c2cccnc2,O=C(OCc1ccccc1)c2cccnc2,"InChI=1/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2",C13H11NO2,,,,,,KVYGGMBOZFWZBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.126,203-437-7,106-87-6,7-oxa-3-oxiranylbicyclo[4.1.0]heptane,3-oxiran-2-yl-7-oxabicyclo[4.1.0]heptane,C1CC2OC2CC1C3CO3,C1CC2OC2CC1C3CO3,"InChI=1/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2",C8H12O2,,,,,,OECTYKWYRCHAKR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.668,200-734-3,70-34-8,"1-fluoro-2,4-dinitrobenzene","1-fluoro-2,4-dinitrobenzene",[O-][N+](=O)c1ccc(F)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(F)c(c1)[N+](=O)[O-],InChI=1/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,C6H3FN2O4,,,,,,LOTKRQAVGJMPNV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.690,200-758-4,71-62-5,"4,9-epoxycevane-3ß,4a,12,14,16ß,17,20-heptol 3-veratrate","4,12,14,16,17,20-hexahydroxy-4,9-epoxycevan-3-yl 3,4-dimethoxybenzoate",COc1ccc(cc1OC)C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(O)C[C@H](O)[C@@]7(O)[C@@H](CN8C[C@@H](C)CC[C@H]8[C@@]7(C)O)[C@]6(O)C[C@]35O[C@]24O,COc1ccc(cc1OC)C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(O)C[C@H](O)[C@@]7(O)[C@@H](CN8C[C@@H](C)CC[C@H]8[C@@]7(C)O)[C@]6(O)C[C@]35O[C@]24O,"InChI=1/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3",C36H51NO11,,,,,,FVECELJHCSPHKY-YFUMOZOISA-N,,,,,,,,,,,
100.000.701,200-771-5,72-14-0,Sulfathiazole,"4-amino-N-1,3-thiazol-2-ylbenzenesulfonamide",Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,"InChI=1/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",C9H9N3O2S2,,,,,,JNMRHUJNCSQMMB-UHFFFAOYSA-N,Positive/Negative,mzcloud:1149,[M+H]+;[2M+H]+;[M+Na]+;[2M+Na]+,HCD_Averaged,80.0495:65.0386:92.0495:108.0444:156.0114:190.0433:101.0168:120.0556:162.9631,HighChem,mzcloud:1149,[M-H]-,HCD_Averaged,63.9624:65.01453:70.98352:92.0506:97.99443:108.0455:156.01246,HighChem
100.000.705,200-775-7,72-20-8,Endrin,"3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene",ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,"InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2",C12H8Cl6O,,,,,,DFBKLUNHFCTMDC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.706,200-776-2,72-23-1,"21-hydroxypregn-4-ene-3,11,20-trione","21-hydroxypregn-4-ene-3,11,20-trione",C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO,"InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3",C21H28O4,,,,,,FUFLCEKSBBHCMO-KJQYFISQSA-N,,,,,,,,,,,
100.000.708,200-778-3,72-40-2,5-amino-1H-imidazole-4-carboxamide monohydrochloride,4-amino-1H-imidazole-5-carboxamide hydrochloride,Cl.NC(=O)c1[nH]cnc1N,Cl.NC(=O)c1[nH]cnc1N,"InChI=1/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H",C4H6N4O.ClH,,,,,,MXCUYSMIELHIQL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.710,200-780-4,72-44-6,Methaqualone,2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one,CC1=Nc2ccccc2C(=O)N1c3ccccc3C,CC1=Nc2ccccc2C(=O)N1c3ccccc3C,"InChI=1/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3",C16H14N2O,,,,,,JEYCTXHKTXCGPB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.713,200-784-6,72-55-9,"2,2-bis(p-chlorophenyl)-1,1-dichloroethylene","1,1'-(2,2-dichloroethene-1,1-diyl)bis(4-chlorobenzene)",ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl,ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl,InChI=1/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H,C14H8Cl4,,,,,,UCNVFOCBFJOQAL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.721,200-793-5,73-05-2,Phentolamine hydrochloride,"3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol hydrochloride",Cl.Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3,Cl.Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3,"InChI=1/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H",C17H19N3O.ClH,,,,,,TUEJFGFQYKDAPM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.726,200-798-2,73-32-5,L-isoleucine,L-isoleucine,CCC(C)[C@H](N)C(=O)O,CCC(C)[C@H](N)C(=O)O,"InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",C6H13NO2,,,,,,AGPKZVBTJJNPAG-AKGZTFGVSA-N,,,,,,,,,,,
100.000.741,200-814-8,74-84-0,Ethane,ethane,CC,CC,InChI=1/C2H6/c1-2/h1-2H3,C2H6,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14543,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.741,OTMSDBZUPAUEDD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.750,200-824-2,74-95-3,Dibromomethane,dibromomethane,BrCBr,BrCBr,InChI=1/CH2Br2/c2-1-3/h1H2,CH2Br2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13783,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.750,FJBFPHVGVWTDIP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.752,200-826-3,74-97-5,Bromochloromethane,bromo(chloro)methane,ClCBr,ClCBr,InChI=1/CH2BrCl/c2-1-3/h1H2,CH2BrCl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5873,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.752,JPOXNPPZZKNXOV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.758,200-833-1,75-03-6,Iodoethane,iodoethane,CCI,CCI,"InChI=1/C2H5I/c1-2-3/h2H2,1H3",C2H5I,,,,,,HVTICUPFWKNHNG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.762,200-837-3,75-08-1,Ethanethiol,ethanethiol,CCS,CCS,"InChI=1/C2H6S/c1-2-3/h3H,2H2,1H3",C2H6S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2123,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.762,DNJIEGIFACGWOD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.765,200-841-5,75-11-6,Diiodomethane,diiodomethane,ICI,ICI,InChI=1/CH2I2/c2-1-3/h1H2,CH2I2,,,,,,NZZFYRREKKOMAT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.771,200-847-8,75-19-4,Cyclopropane,cyclopropane,C1CC1,C1CC1,InChI=1/C3H6/c1-2-3-1/h1-3H2,C3H6,,,,,,LVZWSLJZHVFIQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.772,200-848-3,75-20-7,Calcium acetylide,calcium ethynediide,[Ca+2].[C-]#[C-],[Ca+2].[C-]#[C-],InChI=1/C2.Ca/c1-2;/q-2;+2,C2Ca,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15271,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.772,UIXRSLJINYRGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.301,201-430-3,82-57-5,"4-methoxy-7-methylfuro[3,2-g]chromen-5-one","4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one",COc1c2C(=O)C=C(C)Oc2cc3occc13,COc1c2C(=O)C=C(C)Oc2cc3occc13,"InChI=1/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3",C13H10O4,,,,,,NZVQLVGOZRELTG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.302,201-431-9,82-58-6,Lysergic acid,"6-methyl-9,10-didehydroergoline-8-carboxylic acid",CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)O,CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)O,"InChI=1/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)",C16H16N2O2,,,,,,ZAGRKAFMISFKIO-QMTHXVAHSA-N,,,,,,,,,,,
100.001.304,201-434-5,82-66-6,Diphacinone,"2-(diphenylacetyl)-1H-indene-1,3(2H)-dione",O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O,O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O,"InChI=1/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H",C23H16O3,,,,,,JYGLAHSAISAEAL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.305,201-435-0,82-68-8,Quintozene,"1,2,3,4,5-pentachloro-6-nitrobenzene",[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9,C6Cl5NO2,,,,,,LKPLKUMXSAEKID-UHFFFAOYSA-N,,,,,,,,,,,
100.001.315,201-446-0,82-93-9,Chlorcyclizine,1-[(4-chlorophenyl)(phenyl)methyl]-4-methylpiperazine,CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,"InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3",C18H21ClN2,,,,,,WFNAKBGANONZEQ-UHFFFAOYSA-N,Positive,EQ347601|EQ347602|EQ347603|EQ347604|EQ347605|EQ347606|EQ347607|EQ347608|EQ347609;ET010001|ET010002|ET010003|ET010004|ET010005,[M+H]+;[M+H]+,"HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",201.0464:99.0916:165.0696|201.0465:166.0778:165.0696|201.0465:166.0777:165.0699|166.0777:201.0465:165.0699|166.0777:165.0699:201.0465|165.0699:166.0777:199.0309|165.0699:164.0621:115.0542|165.0698:164.062:115.0542|163.0542:165.0699:115.0542;201.0466:166.0777:165.0694|201.0466:166.0778:165.07|166.0779:165.0702:201.0466|166.0777:165.0702:201.0466|165.0702:166.0775:199.031,Eawag;Eawag_Additional_Specs,,,,,
100.001.317,201-448-1,82-95-1,Buclizine,1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazine,CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1,CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1,"InChI=1/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3",C28H33ClN2,,,,,,MOYGZHXDRJNJEP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.321,201-452-3,83-07-8,"4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one","4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CN1N(C(=O)C(=C1C)N)c2ccccc2,CN1N(C(=O)C(=C1C)N)c2ccccc2,"InChI=1/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3",C11H13N3O,,,,,,RLFWWDJHLFCNIJ-UHFFFAOYSA-N,Positive,SM866001;EA084501|EA084502|EA084503|EA084504|EA084505|EA084506|EA084507|EA084508|EA084509|EA084510|EA084511|EA084512|EA084513|EA084514;UF408301|UF408302|UF408303|UF408304,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,56.0497:204.1133:159.0917;187.087:159.0919:173.0712|204.1134:187.0866:159.0916|204.1135:56.0495:187.0867|56.0495:204.1133:94.0651|56.0495:94.0652:83.0605|56.0495:94.0652:83.0604|56.0495:94.0652:83.0604|204.1133:187.0866:159.0918|204.1134:56.0495:187.0867|56.0495:94.0651:204.113|56.0495:94.0651:83.0604|56.0495:94.0652:83.0604|56.0495:94.0652:83.0604|187.0867:159.0918:173.0711;94.0652:159.0918:83.0604|94.0651:83.0605:104.0494|187.0866:159.0917:173.0711|187.0866:159.0917:173.071,CASMI_2016;Eawag;UFZ,,,,,
100.001.324,201-456-5,83-13-6,Diethyl phenylmalonate,diethyl phenylmalonate,CCOC(=O)C(C(=O)OCC)c1ccccc1,CCOC(=O)C(C(=O)OCC)c1ccccc1,"InChI=1/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3",C13H16O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18962,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.324,FGYDHYCFHBSNPE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.326,201-458-6,83-18-1,"2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde","2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde",Cc1cc(C=O)c(C)n1c2ccccc2,Cc1cc(C=O)c(C)n1c2ccccc2,"InChI=1/C13H13NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-9H,1-2H3",C13H13NO,,,,,,LNROIXNEIZSESG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.327,201-459-1,83-22-7,"4-hydroxy-5-[(phenylsulphonyl)amino]naphthalene-2,7-disulphonic acid","4-hydroxy-5-[(phenylsulfonyl)amino]naphthalene-2,7-disulfonic acid",Oc1cc(cc2cc(cc(NS(=O)(=O)c3ccccc3)c12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2cc(cc(NS(=O)(=O)c3ccccc3)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C16H13NO9S3/c18-15-9-13(29(24,25)26)7-10-6-12(28(21,22)23)8-14(16(10)15)17-27(19,20)11-4-2-1-3-5-11/h1-9,17-18H,(H,21,22,23)(H,24,25,26)",C16H13NO9S3,,,,,,RXLQXRJNFSMYDL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.336,201-469-6,83-32-9,Acenaphthene,"1,2-dihydroacenaphthylene",C1Cc2cccc3cccc1c23,C1Cc2cccc3cccc1c23,"InChI=1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2",C12H10,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6742,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.336,CWRYPZZKDGJXCA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.338,201-471-7,83-34-1,3-methylindole,3-methyl-1H-indole,Cc1c[nH]c2ccccc12,Cc1c[nH]c2ccccc12,"InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3",C9H9N,,,,,,ZFRKQXVRDFCRJG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.339,201-472-2,83-38-5,"2,6-dichlorobenzaldehyde","2,6-dichlorobenzaldehyde",Clc1cccc(Cl)c1C=O,Clc1cccc(Cl)c1C=O,InChI=1/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H,C7H4Cl2O,,,,,,DMIYKWPEFRFTPY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.341,201-474-3,83-41-0,3-nitro-o-xylene,"1,2-dimethyl-3-nitrobenzene",Cc1cccc(c1C)[N+](=O)[O-],Cc1cccc(c1C)[N+](=O)[O-],"InChI=1/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3",C8H9NO2,,,,,,FVHAWXWFPBPFOS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.343,201-476-4,83-43-2,Methylprednisolone,"11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3",C22H30O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16624,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.343,VHRSUDSXCMQTMA-PJHHCJLFSA-N,Positive,AU107601|AU107602|AU107603|AU107604|AU107605;EA262101|EA262102|EA262103|EA262104|EA262105|EA262106|EA262107|EA262108|EA262109|EA262110|EA262111|EA262112|EA262113|EA262114,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,357.2084:375.2193:339.1975|357.2082:161.0965:253.1596|161.0969:185.0972:253.1605|161.0972:185.0976:135.0813|161.0973:135.0815:185.0976;357.206:339.1953:321.1848|357.2058:339.1956:321.1849|161.096:253.1586:357.2063|161.0959:185.0962:135.0804|161.0961:135.0803:185.0961|121.0648:105.0699:161.0961|91.0541:121.065:105.0697|357.2059:339.1956:321.1848|161.096:253.1583:135.0803|161.096:185.0959:135.0804|161.0959:135.0802:185.0959|121.0647:161.0962:209.0959|91.0541:121.0647:105.0698|357.2056:339.195:321.1847,Athens_Univ;Eawag,,,,,
100.003.135,203-447-1,106-96-7,3-bromopropyne,3-bromoprop-1-yne,BrCC#C,BrCC#C,"InChI=1/C3H3Br/c1-2-3-4/h1H,3H2",C3H3Br,,,,,,YORCIIVHUBAYBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.136,203-448-7,106-97-8,Butane,butane,CCCC,CCCC,"InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3",C4H10,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15434,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.136,IJDNQMDRQITEOD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.145,203-458-1,107-06-2,"1,2-dichloroethane","1,2-dichloroethane",ClCCCl,ClCCCl,InChI=1/C2H4Cl2/c3-1-2-4/h1-2H2,C2H4Cl2,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15430,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.145,WSLDOOZREJYCGB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.152,203-466-5,107-13-1,Acrylonitrile,acrylonitrile,C=CC#N,C=CC#N,"InChI=1/C3H3N/c1-2-3-4/h2H,1H2",C3H3N,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15561,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.152,NLHHRLWOUZZQLW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.156,203-470-7,107-18-6,Allyl alcohol,prop-2-en-1-ol,OCC=C,OCC=C,"InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2",C3H6O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16042,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.156,XXROGKLTLUQVRX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.161,203-475-4,107-25-5,Methyl vinyl ether,methoxyethene,COC=C,COC=C,"InChI=1/C3H6O/c1-3-4-2/h3H,1H2,2H3",C3H6O,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13200,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.161,XJRBAMWJDBPFIM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.162,203-477-5,107-26-6,Bromoethylmercury,bromo(ethyl)mercury,CC[Hg]Br,CC[Hg]Br,"InChI=1/C2H5.BrH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1/rC2H5BrHg/c1-2-4-3/h2H2,1H3",C2H5BrHg,,,,,,UREACWLAXSOUKG-UHFFFAOYSA-M,,,,,,,,,,,
100.003.163,203-478-0,107-27-7,Ethylmercury chloride,ethylmercury(1+) chloride,[Cl-].CC[Hg+],[Cl-].CC[Hg+],"InChI=1/C2H5.ClH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1/rC2H5Hg.ClH/c1-2-3;/h2H2,1H3;1H/q+1;/p-1",C2H5ClHg,,,,,,QWUGXIXRFGEYBD-UHFFFAOYSA-M,,,,,,,,,,,
100.003.166,203-481-7,107-31-3,Methyl formate,methyl formate,COC=O,COC=O,"InChI=1/C2H4O2/c1-4-2-3/h2H,1H3",C2H4O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2054,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.166,TZIHFWKZFHZASV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.172,203-488-5,107-40-4,"2,4,4-trimethylpent-2-ene","2,4,4-trimethylpent-2-ene",CC(=CC(C)(C)C)C,CC(=CC(C)(C)C)C,"InChI=1/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3",C8H16,,,,,,LAAVYEUJEMRIGF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.184,203-501-4,107-55-1,"O,O-di-sec-butyl hydrogen dithiophosphate","O,O-di-sec-butyl hydrogen dithiophosphate",CCC(C)OP(=S)(S)OC(C)CC,CCC(C)OP(=S)(S)OC(C)CC,"InChI=1/C8H19O2PS2/c1-5-7(3)9-11(12,13)10-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,12,13)",C8H19O2PS2,,,,,,YJNALOLHXQQOIK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.185,203-503-5,107-56-2,"O,O-diisopropyl hydrogen dithiophosphate","O,O-diisopropyl hydrogen dithiophosphate",CC(C)OP(=S)(S)OC(C)C,CC(C)OP(=S)(S)OC(C)C,"InChI=1/C6H15O2PS2/c1-5(2)7-9(10,11)8-6(3)4/h5-6H,1-4H3,(H,10,11)",C6H15O2PS2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11536,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.185,SZXCCXFNQHQRGF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.189,203-507-7,107-61-9,"1,4-oxathiane 4,4-dioxide","1,4-oxathiane 4,4-dioxide",O=S1(=O)CCOCC1,O=S1(=O)CCOCC1,InChI=1/C4H8O3S/c5-8(6)3-1-7-2-4-8/h1-4H2,C4H8O3S,,,,,,WWRUZECKUVNAPB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.194,203-512-4,107-70-0,4-methoxy-4-methylpentan-2-one,4-methoxy-4-methylpentan-2-one,COC(C)(C)CC(=O)C,COC(C)(C)CC(=O)C,"InChI=1/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3",C7H14O2,,,,,,KOKPBCHLPVDQTK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.195,203-514-5,107-71-1,tert-butyl peracetate,tert-butyl ethaneperoxoate,CC(=O)OOC(C)(C)C,CC(=O)OOC(C)(C)C,"InChI=1/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3",C6H12O3,,,,,,SWAXTRYEYUTSAP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.198,203-517-1,107-74-4,"3,7-dimethyloctane-1,7-diol","3,7-dimethyloctane-1,7-diol",CC(CCO)CCCC(C)(C)O,CC(CCO)CCCC(C)(C)O,"InChI=1/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3",C10H22O2,,,,,,FPCCDPXRNNVUOM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.201,203-520-8,107-80-2,"1,3-dibromobutane","1,3-dibromobutane",CC(Br)CCBr,CC(Br)CCBr,"InChI=1/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3",C4H8Br2,,,,,,XZNGUVQDFJHPLU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.202,203-521-3,107-81-3,2-bromopentane,2-bromopentane,CCCC(C)Br,CCCC(C)Br,"InChI=1/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3",C5H11Br,,,,,,LGAJYTCRJPCZRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.203,203-522-9,107-82-4,1-bromo-3-methylbutane,1-bromo-3-methylbutane,CC(C)CCBr,CC(C)CCBr,"InChI=1/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3",C5H11Br,,,,,,YXZFFTJAHVMMLF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.210,203-530-2,107-89-1,3-hydroxybutyraldehyde,3-hydroxybutanal,CC(O)CC=O,CC(O)CC=O,"InChI=1/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3",C4H8O2,,,,,,HSJKGGMUJITCBW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.215,203-536-5,107-95-9,ß-alanine,beta-alanine,NCCC(=O)O,NCCC(=O)O,"InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)",C3H7NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2084,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.215,UCMIRNVEIXFBKS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.227,203-549-6,108-09-8,"1,3-dimethylbutylamine",4-methylpentan-2-amine,CC(C)CC(C)N,CC(C)CC(C)N,"InChI=1/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3",C6H15N,,,,,,UNBMPKNTYKDYCG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.232,203-554-3,108-14-5,2-chloropropyldimethylamine,"2-chloro-N,N-dimethylpropan-1-amine",CC(Cl)CN(C)C,CC(Cl)CN(C)C,"InChI=1/C5H12ClN/c1-5(6)4-7(2)3/h5H,4H2,1-3H3",C5H12ClN,,,,,,GYXWNSDLDXGMGU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.779,200-856-7,75-27-4,Bromodichloromethane,bromo(dichloro)methane,ClC(Cl)Br,ClC(Cl)Br,InChI=1/CHBrCl2/c2-1(3)4/h1H,CHBrCl2,,,,,,FMWLUWPQPKEARP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.782,200-859-3,75-30-9,2-iodopropane,2-iodopropane,CC(C)I,CC(C)I,"InChI=1/C3H7I/c1-3(2)4/h3H,1-2H3",C3H7I,,,,,,FMKOJHQHASLBPH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.783,200-860-9,75-31-0,Isopropylamine,propan-2-amine,CC(C)N,CC(C)N,"InChI=1/C3H9N/c1-3(2)4/h3H,4H2,1-2H3",C3H9N,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14604,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.783,JJWLVOIRVHMVIS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.518,200-569-7,63-92-3,Phenoxybenzamine hydrochloride,N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine hydrochloride,Cl.CC(COc1ccccc1)N(CCCl)Cc2ccccc2,Cl.CC(COc1ccccc1)N(CCCl)Cc2ccccc2,"InChI=1/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H",C18H22ClNO.ClH,,,,,,VBCPVIWPDJVHAN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.520,200-571-8,63-99-0,m-tolylurea,1-(3-methylphenyl)urea,Cc1cccc(NC(=O)N)c1,Cc1cccc(NC(=O)N)c1,"InChI=1/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",C8H10N2O,,,,,,UVQVMNIYFXZXCI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.524,200-576-5,64-10-8,Phenylurea,1-phenylurea,NC(=O)Nc1ccccc1,NC(=O)Nc1ccccc1,"InChI=1/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",C7H8N2O,,,,,,LUBJCRLGQSPQNN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.525,200-577-0,64-13-1,1-(4-methoxybenzyl)ethylamine,1-(4-methoxyphenyl)propan-2-amine,COc1ccc(CC(C)N)cc1,COc1ccc(CC(C)N)cc1,"InChI=1/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3",C10H15NO,,,,,,NEGYEDYHPHMHGK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.529,200-581-2,64-20-0,Tetramethylammonium bromide,"N,N,N-trimethylmethanaminium bromide",[Br-].C[N+](C)(C)C,[Br-].C[N+](C)(C)C,"InChI=1/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",C4H12N.Br,,,,,,DDFYFBUWEBINLX-UHFFFAOYSA-M,,,,,,,,,,,
100.000.532,200-584-9,64-43-7,Amobarbital sodium,-,[Na+].CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,[Na+].CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,"InChI=1/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1",C11H18N2O3.Na,,,,,,BNHGKKNINBGEQL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.534,200-587-5,64-55-1,Mebutamate,"2-[(carbamoyloxy)methyl]-2,3-dimethylpentyl carbamate (non-preferred name)",CCC(C)C(C)(COC(=O)N)COC(=O)N,CCC(C)C(C)(COC(=O)N)COC(=O)N,"InChI=1/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)",C10H20N2O4,,,,,,LEROTMJVBFSIMP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.535,200-588-0,64-65-3,Bemegride,"4-ethyl-4-methylpiperidine-2,6-dione",CCC1(C)CC(=O)NC(=O)C1,CCC1(C)CC(=O)NC(=O)C1,"InChI=1/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)",C8H13NO2,,,,,,ORRZGUBHBVWWOP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.540,200-593-8,64-75-5,Tetracycline hydrochloride,"4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride",Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O,Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O,"InChI=1/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H",C22H24N2O8.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17316,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.540,XMEVHPAGJVLHIG-FMZCEJRJSA-N,,,,,,,,,,,
100.000.542,200-595-9,64-82-4,17-ß-hydroxy-5a-androst-1-en-3-one acetate,3-oxoandrost-1-en-17-yl acetate,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,14,16-19H,4-7,9,11-12H2,1-3H3",C21H30O3,,,,,,NKZLRJOJLCHNQR-NGFSFWIMSA-N,,,,,,,,,,,
100.000.553,200-608-8,65-42-9,Lyxose,D-lyxose,OC[C@@H](O)[C@H](O)[C@H](O)C=O,OC[C@@H](O)[C@H](O)[C@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-UOWFLXDJSA-N,,,,,,,,,,,
100.000.563,200-619-8,65-86-1,Orotic acid,"2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid",OC(=O)C1=CC(=O)NC(=O)N1,OC(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",C5H4N2O4,,,,,,PXQPEWDEAKTCGB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.348,201-482-7,83-48-7,"Stigmasta-5,22-dien-3-ß-ol","stigmasta-5,22-dien-3-ol",CC[C@H](\\C=C\\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3",C29H48O,,,,,,HCXVJBMSMIARIN-PHZDYDNGSA-N,,,,,,,,,,,
100.001.351,201-485-3,83-54-5,1-methyl-4-quinolone,1-methylquinolin-4(1H)-one,CN1C=CC(=O)c2ccccc12,CN1C=CC(=O)c2ccccc12,"InChI=1/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3",C10H9NO,,,,,,CSJAXRKDCCWCSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.352,201-486-9,83-55-6,5-amino-1-naphthol,5-amino-1-naphthol,Nc1cccc2c(O)cccc12,Nc1cccc2c(O)cccc12,"InChI=1/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H,11H2",C10H9NO,,,,,,ZBIBQNVRTVLOHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.355,201-490-0,83-63-6,N-(4-o-tolylazo-o-tolyl)diacetamide,N-acetyl-N-{2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}acetamide,CC(=O)N(C(=O)C)c1ccc(cc1C)N=Nc2ccccc2C,CC(=O)N(C(=O)C)c1ccc(cc1C)N=Nc2ccccc2C,"InChI=1/C18H19N3O2/c1-12-7-5-6-8-17(12)20-19-16-9-10-18(13(2)11-16)21(14(3)22)15(4)23/h5-11H,1-4H3",C18H19N3O2,,,,,,YIEDSISPYKQADU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.366,201-502-4,83-80-7,"1,5-dibenzoylnaphthalene","naphthalene-1,5-diylbis(phenylmethanone)",O=C(c1ccccc1)c2cccc3c(cccc23)C(=O)c4ccccc4,O=C(c1ccccc1)c2cccc3c(cccc23)C(=O)c4ccccc4,InChI=1/C24H16O2/c25-23(17-9-3-1-4-10-17)21-15-7-14-20-19(21)13-8-16-22(20)24(26)18-11-5-2-6-12-18/h1-16H,C24H16O2,,,,,,OOSBCICQIJKSIO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.372,201-509-2,83-98-7,Orphenadrine,"N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine",CN(C)CCOC(c1ccccc1)c2ccccc2C,CN(C)CCOC(c1ccccc1)c2ccccc2C,"InChI=1/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3",C18H23NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17989,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.372,QVYRGXJJSLMXQH-UHFFFAOYSA-N,Positive,EQ327601|EQ327602|EQ327603|EQ327604|EQ327605|EQ327606|EQ327607|EQ327608|EQ327609,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,181.1011:88.0757:178.0776|181.1011:166.0775:165.0692|181.1011:166.0777:165.0698|166.0777:181.1011:165.07|166.0777:165.0699:141.0699|165.0699:166.0777:141.0699|165.0699:115.0542:178.0777|165.0699:115.0542:164.0621|165.0699:115.0542:163.0542,Eawag,,,,,
100.001.375,201-512-9,84-04-8,Pipamazine,1-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperidine-4-carboxamide,NC(=O)C1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,NC(=O)C1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)",C21H24ClN3OS,,,,,,OSJJYEUEJRVVOD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.377,201-515-5,84-11-7,"9,10-phenanthrenequinone","phenanthrene-9,10-dione",O=C1C(=O)c2ccccc2c3ccccc13,O=C1C(=O)c2ccccc2c3ccccc13,InChI=1/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,C14H8O2,,,,,,YYVYAPXYZVYDHN-UHFFFAOYSA-N,Positive,UA001903,[M+H]+,CID35,181.0649:209.0597:153.07,UFZ_Additional_Specs,,,,,
100.001.380,201-518-1,84-16-2,"(R*,S*)-4,4'-(1,2-diethylethylene)bis(phenol)","4,4'-hexane-3,4-diyldiphenol",CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2,CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3",C18H22O2,,,,,,PBBGSZCBWVPOOL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.388,201-527-0,84-36-6,Syrosingopine,"methyl 18-({4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl}oxy)-11,17-dimethoxyyohimban-16-carboxylate",CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC,CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC,"InChI=1/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3",C35H42N2O11,,,,,,ZCDNRPPFBQDQHR-SSYATKPKSA-N,,,,,,,,,,,
100.001.400,201-540-1,84-55-9,Viquidil,1-(6-methoxyquinolin-4-yl)-3-(3-vinylpiperidin-4-yl)propan-1-one,COc1ccc2nccc(C(=O)CC[C@@H]3CCNC[C@@H]3C=C)c2c1,COc1ccc2nccc(C(=O)CC[C@@H]3CCNC[C@@H]3C=C)c2c1,"InChI=1/C20H24N2O2/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3",C20H24N2O2,,,,,,DKRSEIPLAZTSFD-LSDHHAIUSA-N,,,,,,,,,,,
100.001.406,201-546-4,84-62-8,Diphenyl phthalate,diphenyl phthalate,O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3,O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3,InChI=1/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H,C20H14O4,,,,,,DWNAQMUDCDVSLT-UHFFFAOYSA-N,Positive,EQ367401|EQ367402|EQ367403|EQ367404|EQ367405|EQ367406|EQ367407|EQ367408|EQ367409,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,225.0545:77.0385|225.0546:77.0381:153.0698|225.0546:95.0491:105.0447|95.0491:105.0447:77.0385|95.0491:105.0447:77.0385|95.0491:77.0385:105.0447|51.023:77.0385:95.0491|51.023:50.0151:77.0385|51.023:50.0151:77.0385,Eawag,,,,,
100.001.413,201-554-8,84-71-9,"Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate","bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC,"InChI=1/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3",C24H44O4,,,,,,DIMOQAGSNHTROK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.414,201-555-3,84-72-0,Ethoxycarbonylmethyl ethyl phthalate,2-ethoxy-2-oxoethyl ethyl phthalate,CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,"InChI=1/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3",C14H16O6,,,,,,PZBLUWVMZMXIKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.234,203-556-4,108-16-7,1-(dimethylamino)propan-2-ol,1-(dimethylamino)propan-2-ol,CC(O)CN(C)C,CC(O)CN(C)C,"InChI=1/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3",C5H13NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12061,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.234,NCXUNZWLEYGQAH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.243,203-566-9,108-27-0,5-methyl-2-pyrrolidinone,5-methylpyrrolidin-2-one,CC1CCC(=O)N1,CC1CCC(=O)N1,"InChI=1/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)",C5H9NO,,,,,,YVIVRJLWYJGJTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.244,203-567-4,108-28-1,5-methylenefuran-2(5H)-one,5-methylenefuran-2(5H)-one,C=C1OC(=O)C=C1,C=C1OC(=O)C=C1,"InChI=1/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2",C5H4O2,,,,,,RNYZJZKPGHQTJR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.245,203-569-5,108-29-2,<U+03B3>-valerolactone,5-methyldihydrofuran-2(3H)-one,CC1CCC(=O)O1,CC1CCC(=O)O1,"InChI=1/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3",C5H8O2,,,,,,GAEKPEKOJKCEMS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.251,203-575-8,108-37-2,1-bromo-3-chlorobenzene,1-bromo-3-chlorobenzene,Clc1cccc(Br)c1,Clc1cccc(Br)c1,InChI=1/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4BrCl,,,,,,JRGGUPZKKTVKOV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.252,203-576-3,108-38-3,m-xylene,m-xylene,Cc1cccc(C)c1,Cc1cccc(C)c1,"InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",C8H10,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14230,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.252,IVSZLXZYQVIEFR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.253,203-577-9,108-39-4,m-cresol,m-cresol,Cc1cccc(O)c1,Cc1cccc(O)c1,"InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",C7H8O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14110,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.253,RLSSMJSEOOYNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.266,203-592-0,108-53-2,Isocytosine,2-aminopyrimidin-4(3H)-one,O=C1\\C=C/N=C(/N)N1,O=C1\C=C/N=C(/N)N1,"InChI=1/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)",C4H5N3O,,,,,,XQCZBXHVTFVIFE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.270,203-596-2,108-58-7,m-phenylene di(acetate),"1,3-phenylene diacetate",CC(=O)Oc1cccc(OC(=O)C)c1,CC(=O)Oc1cccc(OC(=O)C)c1,"InChI=1/C10H10O4/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12/h3-6H,1-2H3",C10H10O4,,,,,,STOUHHBZBQBYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.272,203-598-3,108-60-1,Bis(2-chloro-1-methylethyl) ether,"2,2'-oxybis(1-chloropropane)",CC(CCl)OC(C)CCl,CC(CCl)OC(C)CCl,"InChI=1/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3",C6H12Cl2O,,,,,,QCFYJCYNJLBDRT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.279,203-606-5,108-68-9,"3,5-xylenol","3,5-dimethylphenol",Cc1cc(C)cc(O)c1,Cc1cc(C)cc(O)c1,"InChI=1/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3",C8H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1918,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.279,TUAMRELNJMMDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.290,203-618-0,108-80-5,Cyanuric acid,"1,3,5-triazine-2,4,6-triol",Oc1nc(O)nc(O)n1,Oc1nc(O)nc(O)n1,"InChI=1/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)",C3H3N3O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15028,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.290,ZFSLODLOARCGLH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.412,203-751-4,110-27-0,Isopropyl myristate,isopropyl myristate,CCCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3",C17H34O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16077,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.412,AXISYYRBXTVTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.413,203-753-5,110-28-1,6-methylheptyl 8-methylnonyl adipate,6-methylheptyl 8-methylnonyl adipate,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,"InChI=1/C24H46O4/c1-21(2)15-9-6-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-10-16-22(3)4/h21-22H,5-20H2,1-4H3",C24H46O4,,,,,,IHXYISPZQCLSIX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.415,203-755-6,110-30-5,"N,N'-ethylenedi(stearamide)","N,N'-ethane-1,2-diyldioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)",C38H76N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12372,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.415,RKISUIUJZGSLEV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.416,203-756-1,110-31-6,"N,N'-ethane-1,2-diylbisoleamide","N,N'-ethane-1,2-diylbisoctadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C38H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,39,41)(H,40,42)",C38H72N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5765,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.416,OXDXXMDEEFOVHR-CLFAGFIQSA-N,,,,,,,,,,,
100.003.417,203-757-7,110-33-8,Dihexyl adipate,dihexyl adipate,CCCCCCOC(=O)CCCCC(=O)OCCCCCC,CCCCCCOC(=O)CCCCC(=O)OCCCCCC,"InChI=1/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3",C18H34O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12571,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.417,HHECSPXBQJHZAF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.420,203-760-3,110-37-2,2-methoxyethyl myristate,2-methoxyethyl myristate,CCCCCCCCCCCCCC(=O)OCCOC,CCCCCCCCCCCCCC(=O)OCCOC,"InChI=1/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(18)20-16-15-19-2/h3-16H2,1-2H3",C17H34O3,,,,,,KVFSSOAOLLIISP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.421,203-761-9,110-38-3,Ethyl decanoate,ethyl decanoate,CCCCCCCCCC(=O)OCC,CCCCCCCCCC(=O)OCC,"InChI=1/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3",C12H24O2,,,,,,RGXWDWUGBIJHDO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.573,200-630-8,66-72-8,Pyridoxal,3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde,Cc1ncc(CO)c(C=O)c1O,Cc1ncc(CO)c(C=O)c1O,"InChI=1/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",C8H9NO3,,,,,,RADKZDMFGJYCBB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.577,200-635-5,66-79-5,Oxacillin,"3,3-dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",Cc1onc(c2ccccc2)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O,Cc1onc(c2ccccc2)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O,"InChI=1/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)",C19H19N3O5S,,,,,,UWYHMGVUTGAWSP-JKIFEVAISA-N,Positive/Negative,mzcloud:1709,[M+H]+;[M+Na]+,HCD_Averaged,243.07641:172.07569:160.04267:144.04440:130.06516:114.03720:95.0490:87.02630:53.03856,HighChem,mzcloud:1709,[M-H]-;[2M-H]-,HCD_Averaged,356.1074:2590547:74.99100:65.99854,HighChem
100.000.587,200-646-5,67-20-9,Nitrofurantoin,"1-{[(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione",O=[N+]([O-])c2ccc(C=NN1CC(=O)NC1=O)o2,O=[N+]([O-])c2ccc(C=NN1CC(=O)NC1=O)o2,"InChI=1/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)",C8H6N4O5,,,,,,NXFQHRVNIOXGAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.592,200-651-2,67-42-5,Ethylenebis(oxyethylenenitrilo)tetra(acetic acid),"3,12-bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecane-1,14-dioic acid",OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O,OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C14H24N2O10,,,,,,DEFVIWRASFVYLL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.597,200-657-5,67-51-6,"3,5-dimethylpyrazole","3,5-dimethyl-1H-pyrazole",Cc1cc(C)[nH]n1,Cc1cc(C)[nH]n1,"InChI=1/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)",C5H8N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5791,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.597,SDXAWLJRERMRKF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.604,200-664-3,67-68-5,Dimethyl sulfoxide,dimethyl sulfoxide,CS(=O)C,CS(=O)C,InChI=1/C2H6OS/c1-4(2)3/h1-2H3,C2H6OS,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15007,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.604,IAZDPXIOMUYVGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.607,200-668-5,67-73-2,Fluocinolone acetonide,"4b,12-difluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3",C24H30F2O6,,,,,,FEBLZLNTKCEFIT-VSXGLTOVSA-N,Positive,mzcloud:2135,[M+H]+;[M+Na]+,HCD_Averaged,433.2021:415.1915:413.1959:375.1602:355.1540:377.1434:319.1329:291.1383:91.0544:121.0649,HighChem,,,,,
100.000.613,200-674-8,68-01-9,"N,N,N-triethyl-3-hydroxyanilinium iodide","N,N,N-triethyl-3-hydroxyanilinium iodide",[I-].CC[N+](CC)(CC)c1cccc(O)c1,[I-].CC[N+](CC)(CC)c1cccc(O)c1,"InChI=1/C12H19NO.HI/c1-4-13(5-2,6-3)11-8-7-9-12(14)10-11;/h7-10H,4-6H2,1-3H3;1H",C12H20NO.I,,,,,,FNPDBNVORLQYAG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.616,200-677-4,68-11-1,Mercaptoacetic acid,sulfanylacetic acid,OC(=O)CS,OC(=O)CS,"InChI=1/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)",C2H4O2S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2175,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.616,CWERGRDVMFNCDR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.619,200-681-6,68-22-4,Norethisterone,17-ethynyl-17-hydroxyestr-4-en-3-one,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3",C20H26O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1953,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.619,VIKNJXKGJWUCNN-XGXHKTLJSA-N,Positive,SM872301,[M+H]+,HCD35,299.2007:109.0648:83.0492,CASMI_2016,,,,,
100.000.624,200-686-3,68-36-0,"1,4-bis(trichloromethyl)benzene","1,4-bis(trichloromethyl)benzene",ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)Cl,ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)Cl,"InChI=1/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H",C8H4Cl6,,,,,,OTEKOJQFKOIXMU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.007,200-007-0,50-06-6,Phenobarbital,"5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,"InChI=1/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",C12H12N2O3,,,,,,DDBREPKUVSBGFI-UHFFFAOYSA-N,Positive/Negative,EQ362401|EQ362402|EQ362403|EQ362404|EQ362405|EQ362406|EQ362407|EQ362408|EQ362409,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,233.0919:162.0912:177.0657|162.0912:177.0657:233.0918|162.0912:177.0657:105.0334|133.0521:144.0807:91.0542|133.0521:91.0542:106.065|133.0521:91.0541:106.065|104.0493:91.0541:89.0384|104.0494:91.0541:89.0385|104.0494:95.0491:65.0385,Eawag,EQ362451|EQ362452|EQ362453|EQ362454|EQ362455,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75,231.0774:188.0717:85.0043|231.0775:188.0717:85.0043|144.0819:231.0776:85.0044|144.0817|144.0818,Eawag
100.000.010,200-010-7,50-10-2,Oxyphenonium bromide,"2-[2-cyclohexyl(hydroxy)phenylacetoxy]-N,N-diethyl-N-methylethanaminium bromide",[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,"InChI=1/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1",C21H34NO3.Br,,,,,,UKLQXHUGTKWPSR-UHFFFAOYSA-M,,,,,,,,,,,
100.000.013,200-013-3,50-13-5,Pethidine hydrochloride,ethyl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride,Cl.CCOC(=O)C1(CCN(C)CC1)c2ccccc2,Cl.CCOC(=O)C1(CCN(C)CC1)c2ccccc2,"InChI=1/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H",C15H21NO2.ClH,,,,,,WCNLCIJMFAJCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.021,200-022-2,50-27-1,Oestriol,"estra-1,3,5(10)-triene-3,16,17-triol",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O,"InChI=1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3",C18H24O3,,,,,,PROQIPRRNZUXQM-ZXXIGWHRSA-N,,,,,,,,,,,
100.000.024,200-025-9,50-30-6,"2,6-dichlorobenzoic acid","2,6-dichlorobenzoic acid",OC(=O)c1c(Cl)cccc1Cl,OC(=O)c1c(Cl)cccc1Cl,"InChI=1/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)",C7H4Cl2O2,,,,,,MRUDNSFOFOQZDA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.415,201-556-9,84-73-1,Bis(2-hydroxyethyl) phthalate,bis(2-hydroxyethyl) phthalate,OCCOC(=O)c1ccccc1C(=O)OCCO,OCCOC(=O)c1ccccc1C(=O)OCCO,"InChI=1/C12H14O6/c13-5-7-17-11(15)9-3-1-2-4-10(9)12(16)18-8-6-14/h1-4,13-14H,5-8H2",C12H14O6,,,,,,CAKVXHUYTFYBPK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.417,201-559-5,84-75-3,Dihexyl phthalate,dihexyl phthalate,CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,"InChI=1/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3",C20H30O4,,,,,,KCXZNSGUUQJJTR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.419,201-561-6,84-77-5,Didecyl phthalate,didecyl phthalate,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC,"InChI=1/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3",C28H46O4,,,,,,PGIBJVOPLXHHGS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.424,201-566-3,84-85-5,4-methoxy-1-naphthol,4-methoxy-1-naphthol,COc1ccc(O)c2ccccc12,COc1ccc(O)c2ccccc12,"InChI=1/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3",C11H10O2,,,,,,BOTGCZBEERTTDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.428,201-571-0,84-89-9,5-aminonaphthalene-1-sulphonic acid,5-aminonaphthalene-1-sulfonic acid,Nc1cccc2c(cccc12)S(=O)(=O)O,Nc1cccc2c(cccc12)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,DQNAQOYOSRJXFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.429,201-572-6,84-90-2,"1,1'-methylenebisnaphthalene-2-sulphonic acid","1,1'-methylenedinaphthalene-2-sulfonic acid",OS(=O)(=O)c1ccc2ccccc2c1Cc3c(ccc4ccccc34)S(=O)(=O)O,OS(=O)(=O)c1ccc2ccccc2c1Cc3c(ccc4ccccc34)S(=O)(=O)O,"InChI=1/C21H16O6S2/c22-28(23,24)20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)29(25,26)27/h1-12H,13H2,(H,22,23,24)(H,25,26,27)",C21H16O6S2,,,,,,DQBNLFRFALCILS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.436,201-579-4,85-00-7,Diquat dibromide,"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium dibromide",[Br-].[Br-].C1C[n+]2ccccc2c3cccc[n+]13,[Br-].[Br-].C1C[n+]2ccccc2c3cccc[n+]13,"InChI=1/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2",C12H12N2.2Br,,,,,,ODPOAESBSUKMHD-UHFFFAOYSA-L,,,,,,,,,,,
100.001.439,201-583-6,85-04-1,N-(2-methoxy-1-naphthyl)acetamide,N-(2-methoxy-1-naphthyl)acetamide,COc1ccc2ccccc2c1NC(=O)C,COc1ccc2ccccc2c1NC(=O)C,"InChI=1/C13H13NO2/c1-9(15)14-13-11-6-4-3-5-10(11)7-8-12(13)16-2/h3-8H,1-2H3,(H,14,15)",C13H13NO2,,,,,,LYVMFFWWYPWPQD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.442,201-586-2,85-08-5,(2-methyl-1-naphthyl)acetic acid,(2-methyl-1-naphthyl)acetic acid,Cc1ccc2ccccc2c1CC(=O)O,Cc1ccc2ccccc2c1CC(=O)O,"InChI=1/C13H12O2/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H,14,15)",C13H12O2,,,,,,GQHUFHPHBHEKSX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.443,201-587-8,85-09-6,2-aminonaphthalene-1-methylsulphonic acid,(2-amino-1-naphthyl)methanesulfonic acid,Nc1ccc2ccccc2c1CS(=O)(=O)O,Nc1ccc2ccccc2c1CS(=O)(=O)O,"InChI=1/C11H11NO3S/c12-11-6-5-8-3-1-2-4-9(8)10(11)7-16(13,14)15/h1-6H,7,12H2,(H,13,14,15)",C11H11NO3S,,,,,,HAODCXVRFDVUMY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.448,201-593-0,85-22-3,"2,3,4,5,6-pentabromoethylbenzene","1,2,3,4,5-pentabromo-6-ethylbenzene",CCc1c(Br)c(Br)c(Br)c(Br)c1Br,CCc1c(Br)c(Br)c(Br)c(Br)c1Br,"InChI=1/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3",C8H5Br5,,,,,,FIAXCDIQXHJNIX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.456,201-601-2,85-39-2,"Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol","bicyclo[2.2.1]hept-5-ene-2,3-diyldimethanol",OCC1C2CC(C=C2)C1CO,OCC1C2CC(C=C2)C1CO,"InChI=1/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2",C9H14O2,,,,,,IGHHPVIMEQGKNE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.458,201-603-3,85-41-6,Phthalimide,"1H-isoindole-1,3(2H)-dione",O=C1NC(=O)c2ccccc12,O=C1NC(=O)c2ccccc12,"InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)",C8H5NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13146,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.458,XKJCHHZQLQNZHY-UHFFFAOYSA-N,Positive/Negative,UA002001,[M+H]+,CID35,130.0287:80.022:101.0381,UFZ_Additional_Specs,UA002002|UA002004,[M-H]-,CID35|CID35,146.0248|146.0246,UFZ_Additional_Specs
100.001.462,201-608-0,85-45-0,3-nitro-o-anisidine,2-methoxy-3-nitroaniline,COc1c(N)cccc1[N+](=O)[O-],COc1c(N)cccc1[N+](=O)[O-],"InChI=1/C7H8N2O3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,8H2,1H3",C7H8N2O3,,,,,,GVBUHJSIDPIOBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.465,201-611-7,85-48-3,Quinoline-8-sulphonic acid,quinoline-8-sulfonic acid,OS(=O)(=O)c1cccc2cccnc12,OS(=O)(=O)c1cccc2cccnc12,"InChI=1/C9H7NO3S/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13)",C9H7NO3S,,,,,,SXVRECLPTCOMIA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.475,201-622-7,85-68-7,Benzyl butyl phthalate,benzyl butyl phthalate,CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,"InChI=1/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3",C19H20O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12721,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.475,IRIAEXORFWYRCZ-UHFFFAOYSA-N,Positive,SM836901;EQ359701|EQ359702|EQ359703|EQ359704|EQ359705|EQ359706|EQ359707|EQ359708|EQ359709,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,91.0542:149.0234:205.086;91.0542:149.0232:205.0859|91.0542:149.0233:57.0698|91.0542:149.0233:65.0385|91.0542:149.0233:65.0385|91.0542:65.0385:149.0233|91.0542:65.0385:121.0284|91.0542:65.0385:63.0229|65.0385:91.0542:63.0229|65.0386:91.0542:63.0229,CASMI_2016;Eawag,,,,,
100.001.478,201-625-3,85-71-2,Ethoxycarbonylmethyl methyl phthalate,2-ethoxy-2-oxoethyl methyl phthalate,CCOC(=O)COC(=O)c1ccccc1C(=O)OC,CCOC(=O)COC(=O)c1ccccc1C(=O)OC,"InChI=1/C13H14O6/c1-3-18-11(14)8-19-13(16)10-7-5-4-6-9(10)12(15)17-2/h4-7H,3,8H2,1-2H3",C13H14O6,,,,,,OYMDOVKIWFMTAW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.424,203-765-0,110-41-8,2-methylundecanal,2-methylundecanal,CCCCCCCCCC(C)C=O,CCCCCCCCCC(C)C=O,"InChI=1/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3",C12H24O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13317,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.424,NFAVNWJJYQAGNB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.430,203-771-3,110-47-4,3-isopropoxypropiononitrile,3-isopropoxypropanenitrile,CC(C)OCCC#N,CC(C)OCCC#N,"InChI=1/C6H11NO/c1-6(2)8-5-3-4-7/h6H,3,5H2,1-2H3",C6H11NO,,,,,,BMSYXLRQGIFLFO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.434,203-776-0,110-53-2,1-bromopentane,1-bromopentane,CCCCCBr,CCCCCBr,"InChI=1/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3",C5H11Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10195,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.434,YZWKKMVJZFACSU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.445,203-788-6,110-65-6,"But-2-yne-1,4-diol","but-2-yne-1,4-diol",OCC#CCO,OCC#CCO,"InChI=1/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2",C4H6O2,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13224,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.445,DLDJFQGPPSQZKI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.447,203-790-7,110-67-8,3-methoxypropiononitrile,3-methoxypropanenitrile,COCCC#N,COCCC#N,"InChI=1/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3",C4H7NO,,,,,,OOWFYDWAMOKVSF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.448,203-791-2,110-68-9,Butylmethylamine,N-methylbutan-1-amine,CCCCNC,CCCCNC,"InChI=1/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3",C5H13N,,,,,,QCOGKXLOEWLIDC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.452,203-795-4,110-72-5,2-aminoethyl(ethyl)amine,"N-ethylethane-1,2-diamine",CCNCCN,CCNCCN,"InChI=1/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3",C4H12N2,,,,,,SCZVXVGZMZRGRU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.458,203-803-6,110-78-1,Propyl isocyanate,1-isocyanatopropane,CCCN=C=O,CCCN=C=O,"InChI=1/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3",C4H7NO,,,,,,OQURWGJAWSLGQG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.741,203-014-7,102-22-7,Geranyl phenylacetate,"3,7-dimethylocta-2,6-dien-1-yl phenylacetate",CC(=CCC\\C(=C\\COC(=O)Cc1ccccc1)\\C)C,CC(=CCC\C(=C\COC(=O)Cc1ccccc1)\C)C,"InChI=1/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3",C18H24O2,,,,,,UXAIJXIHZDZMSK-FOWTUZBSSA-N,,,,,,,,,,,
100.002.742,203-015-2,102-23-8,m-[(p-aminophenyl)azo]benzenesulphonic acid,3-[(4-aminophenyl)diazenyl]benzenesulfonic acid,OS(=O)(=O)c2cccc(N=Nc1ccc(N)cc1)c2,OS(=O)(=O)c2cccc(N=Nc1ccc(N)cc1)c2,"InChI=1/C12H11N3O3S/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)19(16,17)18/h1-8H,13H2,(H,16,17,18)",C12H11N3O3S,,,,,,BATBWCBBYMPOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.743,203-016-8,102-24-9,Triboron trimethyl hexaoxide,trimethoxyboroxin,COB1OB(OC)OB(OC)O1,COB1OB(OC)OB(OC)O1,InChI=1/C3H9B3O6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3,C3H9B3O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11573,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.743,ZFMOJHVRFMOIGF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.744,203-017-3,102-25-0,"1,3,5-triethylbenzene","1,3,5-triethylbenzene",CCc1cc(CC)cc(CC)c1,CCc1cc(CC)cc(CC)c1,"InChI=1/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3",C12H18,,,,,,WJYMPXJVHNDZHD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.750,203-024-1,102-32-9,"3,4-dihydroxyphenylacetic acid","(3,4-dihydroxyphenyl)acetic acid",OC(=O)Cc1ccc(O)c(O)c1,OC(=O)Cc1ccc(O)c(O)c1,"InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",C8H8O4,,,,,,CFFZDZCDUFSOFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.754,203-028-3,102-40-9,"2,2'-[1,3-phenylenebis(oxy)]bisethanol","2,2'-[1,3-phenylenebis(oxy)]diethanol",OCCOc1cccc(OCCO)c1,OCCOc1cccc(OCCO)c1,"InChI=1/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2",C10H14O4,,,,,,IAXFZZHBFXRZMT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.756,203-030-4,102-42-1,m-toluidinomethanesulphonic acid,[(3-methylphenyl)amino]methanesulfonic acid,Cc1cccc(NCS(=O)(=O)O)c1,Cc1cccc(NCS(=O)(=O)O)c1,"InChI=1/C8H11NO3S/c1-7-3-2-4-8(5-7)9-6-13(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)",C8H11NO3S,,,,,,GKLLAQQMVKEFPV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.758,203-033-0,102-47-6,"a,3,4-trichlorotoluene","1,2-dichloro-4-(chloromethyl)benzene",ClCc1ccc(Cl)c(Cl)c1,ClCc1ccc(Cl)c(Cl)c1,"InChI=1/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2",C7H5Cl3,,,,,,YZIFVWOCPGPNHB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.765,203-040-9,102-56-7,"2,5-dimethoxyaniline","2,5-dimethoxyaniline",COc1ccc(OC)c(N)c1,COc1ccc(OC)c(N)c1,"InChI=1/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3",C8H11NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5256,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.765,NAZDVUBIEPVUKE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.770,203-046-1,102-68-1,"1,1-bis(vinyloxy)butane","1,1-bis(vinyloxy)butane",CCCC(OC=C)OC=C,CCCC(OC=C)OC=C,"InChI=1/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h5-6,8H,2-4,7H2,1H3",C8H14O2,,,,,,PEIJYJCTDDBFEC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.771,203-047-7,102-69-2,Tripropylamine,"N,N-dipropylpropan-1-amine",CCCN(CCC)CCC,CCCN(CCC)CCC,"InChI=1/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3",C9H21N,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13397,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.771,YFTHZRPMJXBUME-UHFFFAOYSA-N,,,,,,,,,,,
100.000.029,200-031-1,50-35-1,Thalidomide,"2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione",O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,"InChI=1/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)",C13H10N2O4,,,,,,UEJJHQNACJXSKW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.032,200-034-8,50-39-5,Protheobromine,"1-(2-hydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CC(O)CN1C(=O)N(C)c2ncn(C)c2C1=O,CC(O)CN1C(=O)N(C)c2ncn(C)c2C1=O,"InChI=1/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3",C10H14N4O3,,,,,,MXRGZXBFSKSZPH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.037,200-040-0,50-47-5,Desipramine,"3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine",CNCCCN1c2ccccc2CCc3ccccc13,CNCCCN1c2ccccc2CCc3ccccc13,"InChI=1/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3",C18H22N2,,,,,,HCYAFALTSJYZDH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.039,200-042-1,50-49-7,Imipramine,"3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCN1c2ccccc2CCc3ccccc13,CN(C)CCCN1c2ccccc2CCc3ccccc13,"InChI=1/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",C19H24N2,,,,,,BCGWQEUPMDMJNV-UHFFFAOYSA-N,Positive,AU150806,[M+H]+,CIDRAMP 20.9-31.3,86.0966:58.0645:208.1122,Athens_Univ,,,,,
100.000.040,200-043-7,50-50-0,Estradiol benzoate,"17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate",C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O,"InChI=1/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3",C25H28O3,,,,,,UYIFTLBWAOGQBI-BZDYCCQFSA-N,,,,,,,,,,,
100.000.046,200-050-5,50-57-7,Lypressin,"1-{[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-lysylglycinamide",NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,"InChI=1/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)",C46H65N13O12S2,,,,,,BJFIDCADFRDPIO-DZCXQCEKSA-N,,,,,,,,,,,
100.000.047,200-051-0,50-58-8,Phendimetrazine hydrogen tartrate,"3,4-dimethyl-2-phenylmorpholine 2,3-dihydroxysuccinate (salt)",CC1C(OCCN1C)c2ccccc2.OC(C(O)C(=O)O)C(=O)O,CC1C(OCCN1C)c2ccccc2.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C12H17NO.C4H6O6/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;5-1(3(7)8)2(6)4(9)10/h3-7,10,12H,8-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)",C12H17NO.C4H6O6,,,,,,VEPOHXYIFQMVHW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.056,200-061-5,50-70-4,D-glucitol,D-glucitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,"InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2",C6H14O6,,,,,,FBPFZTCFMRRESA-JGWLITMVSA-N,,,,,,,,,,,
100.000.061,200-066-2,50-81-7,Ascorbic acid,"5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)",OC[C@H](O)[C@H]1OC(=O)C(=C1O)O,OC[C@H](O)[C@H]1OC(=O)C(=C1O)O,"InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2",C6H8O6,,,,,,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,,,,,,,,,,,
100.000.072,200-078-8,51-06-9,Procainamide,4-amino-N-[2-(diethylamino)ethyl]benzamide,CCN(CC)CCNC(=O)c1ccc(N)cc1,CCN(CC)CCNC(=O)c1ccc(N)cc1,"InChI=1/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)",C13H21N3O,,,,,,REQCZEXYDRLIBE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.081,200-088-2,51-29-6,"3,4-dichloro-a-[(isopropylamino)methyl]benzyl alcohol hydrochloride","1-(3,4-dichlorophenyl)-2-(isopropylamino)ethanol hydrochloride",Cl.CC(C)NCC(O)c1ccc(Cl)c(Cl)c1,Cl.CC(C)NCC(O)c1ccc(Cl)c(Cl)c1,"InChI=1/C11H15Cl2NO.ClH/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8;/h3-5,7,11,14-15H,6H2,1-2H3;1H",C11H15Cl2NO.ClH,,,,,,IIEMWZNXXFGMCU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.088,200-096-6,51-41-2,Norepinephrine,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol",NC[C@H](O)c1ccc(O)c(O)c1,NC[C@H](O)c1ccc(O)c(O)c1,"InChI=1/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2",C8H11NO3,,,,,,SFLSHLFXELFNJZ-QMMMGPOBSA-N,,,,,,,,,,,
100.000.091,200-099-2,51-44-5,"3,4-dichlorobenzoic acid","3,4-dichlorobenzoic acid",OC(=O)c1ccc(Cl)c(Cl)c1,OC(=O)c1ccc(Cl)c(Cl)c1,"InChI=1/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)",C7H4Cl2O2,,,,,,VPHHJAOJUJHJKD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.482,201-630-0,85-75-6,"4-aminonaphthalene-1,6-disulphonic acid","4-aminonaphthalene-1,6-disulfonic acid",Nc1ccc(c2ccc(cc12)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc(c2ccc(cc12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-9-3-4-10(19(15,16)17)7-2-1-6(5-8(7)9)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,QUFFRITXLMVPMV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.487,201-635-8,85-83-6,1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol,1-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)-2-naphthol,Cc4ccccc4N=Nc3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3,Cc4ccccc4N=Nc3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3,"InChI=1/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3",C24H20N4O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18914,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.487,RCTGMCJBQGBLKT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.488,201-636-3,85-84-7,1-(phenylazo)naphthalen-2-amine,1-(phenyldiazenyl)naphthalen-2-amine,Nc3ccc1ccccc1c3N=Nc2ccccc2,Nc3ccc1ccccc1c3N=Nc2ccccc2,"InChI=1/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2",C16H13N3,,,,,,KLCDQSGLLRINHY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.489,201-637-9,85-85-8,1-(2-pyridylazo)-2-naphthol,1-(pyridin-2-yldiazenyl)-2-naphthol,Oc2ccc3ccccc3c2N=Nc1ccccn1,Oc2ccc3ccccc3c2N=Nc1ccccn1,"InChI=1/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H",C15H11N3O,,,,,,LLYOXZQVOKALCD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.505,201-655-7,86-20-4,9-ethyl-3-nitro-9H-carbazole,9-ethyl-3-nitro-9H-carbazole,CCn1c2ccccc2c3cc(ccc13)[N+](=O)[O-],CCn1c2ccccc2c3cc(ccc13)[N+](=O)[O-],"InChI=1/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3",C14H12N2O2,,,,,,WONHLSYSHMRRGO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.510,201-660-4,86-28-2,9-ethylcarbazole,9-ethyl-9H-carbazole,CCn1c2ccccc2c3ccccc13,CCn1c2ccccc2c3ccccc13,"InChI=1/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3",C14H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5801,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.510,PLAZXGNBGZYJSA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.511,201-662-5,86-29-3,Diphenylacetonitrile,diphenylacetonitrile,N#CC(c1ccccc1)c2ccccc2,N#CC(c1ccccc1)c2ccccc2,"InChI=1/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H",C14H11N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18743,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.511,NEBPTMCRLHKPOB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.521,201-673-5,86-47-5,7-chloro-4-hydroxyquinoline-3-carboxylic acid,7-chloro-4-hydroxyquinoline-3-carboxylic acid,OC(=O)c1cnc2cc(Cl)ccc2c1O,OC(=O)c1cnc2cc(Cl)ccc2c1O,"InChI=1/C10H6ClNO3/c11-5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)",C10H6ClNO3,,,,,,SACLIBNEKWTDEG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.524,201-676-1,86-50-0,Azinphos-methyl,"O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] dithiophosphate",COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,"InChI=1/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3",C10H12N3O3PS2,,,,,,CJJOSEISRRTUQB-UHFFFAOYSA-N,Positive,SM847302;EQ365501|EQ365502|EQ365503|EQ365504|EQ365505|EQ365506|EQ365507|EQ365508|EQ365509,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,142.9927:132.0444:260.9805;132.0445:142.9928:260.9807|142.9928:132.0445:104.0495|142.9928:132.0445:104.0496|142.9928:95.0492:105.0336|95.0493:105.0449:78.9944|95.0493:105.0449:77.0386|51.023:95.0493:77.0386|51.023:50.0152:95.0493|51.023:50.0152:74.0151,CASMI_2016;Eawag,,,,,
100.001.525,201-677-7,86-51-1,"2,3-dimethoxybenzaldehyde","2,3-dimethoxybenzaldehyde",COc1cccc(C=O)c1OC,COc1cccc(C=O)c1OC,"InChI=1/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3",C9H10O3,,,,,,JIVGSHFYXPRRSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.527,201-679-8,86-53-3,1-naphthonitrile,1-naphthonitrile,N#Cc1cccc2ccccc12,N#Cc1cccc2ccccc12,InChI=1/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,C11H7N,,,,,,YJMNOKOLADGBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.528,201-680-3,86-54-4,Hydralazine,1-hydrazinophthalazine,NNc1nncc2ccccc12,NNc1nncc2ccccc12,"InChI=1/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)",C8H8N4,,,,,,RPTUSVTUFVMDQK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.529,201-681-9,86-55-5,1-naphthoic acid,1-naphthoic acid,OC(=O)c1cccc2ccccc12,OC(=O)c1cccc2ccccc12,"InChI=1/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)",C11H8O2,,,,,,LNETULKMXZVUST-UHFFFAOYSA-N,,,,,,,,,,,
100.001.530,201-682-4,86-56-6,Dimethyl(1-naphthyl)amine,"N,N-dimethylnaphthalen-1-amine",CN(C)c1cccc2ccccc12,CN(C)c1cccc2ccccc12,"InChI=1/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3",C12H13N,,,,,,AJUXDFHPVZQOGF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.534,201-687-1,86-63-5,"7-[(4-amino-5-methoxy-2-methylphenyl)azo]naphthalene-1,3-disulphonic acid","7-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid",Nc1cc(C)c(cc1OC)N=Nc2cc3c(cc(cc3cc2)S(O)(=O)=O)S(O)(=O)=O,Nc1cc(C)c(cc1OC)N=Nc2cc3c(cc(cc3cc2)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H17N3O7S2/c1-10-5-15(19)17(28-2)9-16(10)21-20-12-4-3-11-6-13(29(22,23)24)8-18(14(11)7-12)30(25,26)27/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)",C18H17N3O7S2,,,,,,JLVALQOIIVGPBD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.539,201-692-9,86-71-5,"9H-carbazole-3,6-diamine","9H-carbazole-3,6-diamine",Nc1ccc2[nH]c3ccc(N)cc3c2c1,Nc1ccc2[nH]c3ccc(N)cc3c2c1,"InChI=1/C12H11N3/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H,13-14H2",C12H11N3,,,,,,YCZUWQOJQGCZKG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.540,201-693-4,86-72-6,4-(9H-carbazol-3-ylamino)phenol,4-(9H-carbazol-3-ylamino)phenol,Oc1ccc(Nc2ccc3[nH]c4ccccc4c3c2)cc1,Oc1ccc(Nc2ccc3[nH]c4ccccc4c3c2)cc1,"InChI=1/C18H14N2O/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11,19-21H",C18H14N2O,,,,,,STRAHSCTRLRZNU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.776,203-052-4,102-77-2,2-(morpholinothio)benzothiazole,"2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole",C1CN(CCO1)Sc2nc3ccccc3s2,C1CN(CCO1)Sc2nc3ccccc3s2,"InChI=1/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2",C11H12N2OS2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11022,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.776,MHKLKWCYGIBEQF-UHFFFAOYSA-N,Positive,SM884202,[M+H]+,HCD35,253.0465:86.0601:87.0679,CASMI_2016,,,,,
100.002.780,203-057-1,102-81-8,2-dibutylaminoethanol,2-(dibutylamino)ethanol,CCCCN(CCO)CCCC,CCCCN(CCO)CCCC,"InChI=1/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3",C10H23NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5336,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.780,IWSZDQRGNFLMJS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.461,203-806-2,110-82-7,Cyclohexane,cyclohexane,C1CCCCC1,C1CCCCC1,InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2,C6H12,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15483,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.461,XDTMQSROBMDMFD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.464,203-809-9,110-86-1,Pyridine,pyridine,c1ccncc1,c1ccncc1,InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5H,C5H5N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13681,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.464,JUJWROOIHBZHMG-UHFFFAOYSA-N,Positive,SM813501,[M+H]+,HCD35,80.0494:96.0443,CASMI_2016,,,,,
100.003.465,203-810-4,110-87-2,"3,4-dihydro-2H-pyran","3,4-dihydro-2H-pyran",C1COC=CC1,C1COC=CC1,"InChI=1/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",C5H8O,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/12042,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.465,BUDQDWGNQVEFAC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.467,203-813-0,110-89-4,Piperidine,piperidine,C1CCNCC1,C1CCNCC1,"InChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2",C5H11N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13488,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.467,NQRYJNQNLNOLGT-UHFFFAOYSA-N,Positive,SM837103,[M+H]+,HCD35,86.0962:69.0698:67.0542,CASMI_2016,,,,,
100.003.468,203-814-6,110-90-7,"Hexahydro-1,3,5-triazine","1,3,5-triazinane",C1NCNCN1,C1NCNCN1,"InChI=1/C3H9N3/c1-4-2-6-3-5-1/h4-6H,1-3H2",C3H9N3,,,,,,LKLLNYWECKEQIB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.472,203-818-8,110-95-2,"N,N,N',N'-tetramethyltrimethylenediamine","N,N,N',N'-tetramethylpropane-1,3-diamine",CN(C)CCCN(C)C,CN(C)CCCN(C)C,"InChI=1/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3",C7H18N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5408,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.472,DMQSHEKGGUOYJS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.475,203-821-4,110-98-5,"1,1'-oxydipropan-2-ol","1,1'-oxydipropan-2-ol",CC(O)COCC(C)O,CC(O)COCC(C)O,"InChI=1/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3",C6H14O3,,,,,,AZUXKVXMJOIAOF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.479,203-826-1,111-02-4,"2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene","2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",C/C(C)=C\\CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC\\C=C(/C)C,C/C(C)=C\CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC\C=C(/C)C,"InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3",C30H50,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13247,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.479,YYGNTYWPHWGJRM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.481,203-828-2,111-05-7,N-(2-hydroxypropyl)oleamide,N-(2-hydroxypropyl)octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCC(C)O,CCCCCCCC\C=C/CCCCCCCC(=O)NCC(C)O,"InChI=1/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)",C21H41NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10994,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.481,UDZAXLGLNUMCRX-KHPPLWFESA-N,,,,,,,,,,,
100.003.483,203-830-3,111-07-9,2-methoxyethyl palmitate,2-methoxyethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCOC,CCCCCCCCCCCCCCCC(=O)OCCOC,"InChI=1/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20)22-18-17-21-2/h3-18H2,1-2H3",C19H38O3,,,,,,XSZLSYXBQSOQJE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.486,203-834-5,111-10-4,2-methoxyethyl oleate,2-methoxyethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCOC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCOC,"InChI=1/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h10-11H,3-9,12-20H2,1-2H3",C21H40O3,,,,,,UFARNTYYPHYLGN-KHPPLWFESA-N,,,,,,,,,,,
100.003.490,203-838-7,111-14-8,Heptanoic acid,heptanoic acid,CCCCCCC(=O)O,CCCCCCC(=O)O,"InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",C7H14O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15829,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.490,MNWFXJYAOYHMED-UHFFFAOYSA-N,,,,,,,,,,,
100.003.491,203-839-2,111-15-9,2-ethoxyethyl acetate,2-ethoxyethyl acetate,CCOCCOC(=O)C,CCOCCOC(=O)C,"InChI=1/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3",C6H12O3,,,,,,SVONRAPFKPVNKG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.493,203-841-3,111-17-1,"3,3'-thiodi(propionic acid)","3,3'-sulfanediyldipropanoic acid",OC(=O)CCSCCC(=O)O,OC(=O)CCSCCC(=O)O,"InChI=1/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)",C6H10O4S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6243,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.493,ODJQKYXPKWQWNK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.499,203-848-1,111-23-9,"N,N'''-1,10-decanediylbisguanidine","N,N'''-decane-1,10-diyldiguanidine",NC(=N)NCCCCCCCCCCNC(=N)N,NC(=N)NCCCCCCCCCCNC(=N)N,"InChI=1/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)",C12H28N6,,,,,,OZZMUVKANAPKGI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.503,202-753-2,99-36-5,Methyl m-toluate,methyl 3-methylbenzoate,COC(=O)c1cccc(C)c1,COC(=O)c1cccc(C)c1,"InChI=1/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3",C9H10O2,,,,,,CPXCDEMFNPKOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.504,202-754-8,99-40-1,"2-chloro-3',4'-dihydroxyacetophenone","2-chloro-1-(3,4-dihydroxyphenyl)ethanone",Oc1ccc(cc1O)C(=O)CCl,Oc1ccc(cc1O)C(=O)CCl,"InChI=1/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2",C8H7ClO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17993,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.504,LWTJEJCZJFZKEL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.094,200-102-7,51-49-0,"D-4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzylalanine","N-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzyl]-L-alanine",C[C@@H](NCc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,C[C@@H](NCc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,"InChI=1/C16H13I4NO4/c1-7(16(23)24)21-6-8-2-12(19)15(13(20)3-8)25-9-4-10(17)14(22)11(18)5-9/h2-5,7,21-22H,6H2,1H3,(H,23,24)",C15H11I4NO4,,,,,,MTUITYTZKIMFAE-SSDOTTSWSA-N,,,,,,,,,,,
100.000.095,200-103-2,51-52-5,Propylthiouracil,"6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",CCCC1=CC(=O)NC(=S)N1,CCCC1=CC(=O)NC(=S)N1,"InChI=1/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)",C7H10N2OS,,,,,,KNAHARQHSZJURB-UHFFFAOYSA-N,Positive,AU122401|AU122402|AU122403,[M+H]+,CID10|CID20|CID30,171.0603:172.0631:154.033|171.0602:154.0334:172.0642|154.0343:171.0615:142.0187,Athens_Univ,,,,,
100.000.098,200-106-9,51-57-0,Methamphetamine hydrochloride,N-methyl-1-phenylpropan-2-amine hydrochloride,Cl.CNC(C)Cc1ccccc1,Cl.CNC(C)Cc1ccccc1,"InChI=1/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H",C10H15N.ClH,,,,,,TWXDDNPPQUTEOV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.099,200-107-4,51-59-2,5-acetamidosalicylic acid,5-acetamido-2-hydroxybenzoic acid,CC(=O)Nc1ccc(O)c(c1)C(=O)O,CC(=O)Nc1ccc(O)c(c1)C(=O)O,"InChI=1/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)",C9H9NO4,,,,,,GEFDRROBUCULOD-UHFFFAOYSA-N,Positive/Negative,SM862204,[M+H]+,HCD35,178.0498:136.0392:196.0604,CASMI_2016,SM862251,[M-H]-,HCD35,150.056:194.0459:132.0454,CASMI_2016
100.000.100,200-109-5,51-60-5,Neostigmine metilsulfate,-,COS(=O)(=O)O.CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C,COS(=O)(=O)O.CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C,"InChI=1/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;",C12H19N2O2.CH3O4S,,,,,,OSZNNLWOYWAHSS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.101,200-110-0,51-61-6,Dopamine,"4-(2-aminoethyl)benzene-1,2-diol",NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1,"InChI=1/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",C8H11NO2,,,,,,VYFYYTLLBUKUHU-UHFFFAOYSA-N,Positive/Negative,EQ329901|EQ329902|EQ329903|EQ329904|EQ329905|EQ329906,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,137.0597:91.0542:119.0491|137.0597:91.0542:119.0491|137.0597:91.0542:119.0491|91.0542:137.0597:119.0491|91.0542:119.0491:137.0597|91.0542:65.0386:119.0491,Eawag,EQ329951|EQ329952|EQ329953|EQ329954|EQ329955|EQ329956,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,152.0716:122.0374:123.0451|152.0716:122.0374:123.0452|122.0374:152.0716:123.0451|122.0374:152.0717:137.0244|122.0374:152.0717:123.0452|122.0374:123.0452:121.0295,Eawag
100.000.104,200-113-7,51-65-0,DL-3-(4-fluorophenyl)alanine,4-fluorophenylalanine,NC(Cc1ccc(F)cc1)C(=O)O,NC(Cc1ccc(F)cc1)C(=O)O,"InChI=1/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10FNO2,,,,,,XWHHYOYVRVGJJY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.105,200-114-2,51-66-1,4'-methoxyacetanilide,N-(4-methoxyphenyl)acetamide,COc1ccc(NC(=O)C)cc1,COc1ccc(NC(=O)C)cc1,"InChI=1/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)",C9H11NO2,,,,,,XVAIDCNLVLTVFM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.113,200-123-1,51-79-6,Urethane,ethyl carbamate,CCOC(=O)N,CCOC(=O)N,"InChI=1/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",C3H7NO2,,,,,,JOYRKODLDBILNP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.115,200-125-2,51-81-0,3-hydroxyanilinium chloride,3-hydroxyanilinium chloride,[Cl-].[NH3+]c1cccc(O)c1,[Cl-].[NH3+]c1cccc(O)c1,"InChI=1/C6H7NO.ClH/c7-5-2-1-3-6(8)4-5;/h1-4,8H,7H2;1H",C6H7NO.ClH,,,,,,DCBCSMXGLXAXDM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.462,200-507-9,61-49-4,3-(2-methylaminoethyl)indole,2-(1H-indol-3-yl)-N-methylethanamine,CNCCc1c[nH]c2ccccc12,CNCCc1c[nH]c2ccccc12,"InChI=1/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3",C11H14N2,,,,,,NCIKQJBVUNUXLW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.463,200-508-4,61-50-7,"N,N-dimethyl-1H-indole-3-ethylamine","2-(1H-indol-3-yl)-N,N-dimethylethanamine",CN(C)CCc1c[nH]c2ccccc12,CN(C)CCc1c[nH]c2ccccc12,"InChI=1/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3",C12H16N2,,,,,,DMULVCHRPCFFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.464,200-510-5,61-54-1,2-(indol-3-yl)ethylamine,2-(1H-indol-3-yl)ethanamine,NCCc1c[nH]c2ccccc12,NCCc1c[nH]c2ccccc12,"InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2",C10H12N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12803,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.464,APJYDQYYACXCRM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.467,200-513-1,61-68-7,Mefenamic acid,"2-[(2,3-dimethylphenyl)amino]benzoic acid",Cc1cccc(Nc2ccccc2C(=O)O)c1C,Cc1cccc(Nc2ccccc2C(=O)O)c1C,"InChI=1/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",C15H15NO2,,,,,,HYYBABOKPJLUIN-UHFFFAOYSA-N,Positive/Negative,AU115101|AU115102|AU115103|AU115104|AU115105;SM857001;EA020801|EA020802|EA020803|EA020804|EA020805|EA020806|EA020807|EA020808|EA020809|EA020810|EA020811|EA020812|EA020813|EA020814;UF409401|UF409402|UF409403|UF409404,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,224.105:242.1159:241.108|224.1032:225.1082:223.095|224.1032:209.0789:225.1022|209.0799:208.0663:180.0734|180.0777:208.073:209.0751;224.107:209.0836:242.1176;224.1071:223.0993|242.1177:224.1071:241.1096|224.1071:242.1174:223.1|224.107:209.0835:223.0999|224.1071:209.0835:208.0757|209.0836:224.1068:208.0757|209.0834:180.0807:208.0757|242.1176:224.107:241.1097|224.1071:242.1175:223.0993|224.1071:209.0835:223.0993|224.1071:209.0836:208.0756|209.0835:224.107:208.0756|209.0836:180.0809:208.0758|224.1071:223.0993;224.1071:209.0839:222.0918|209.0837:224.1072:180.081|224.107|224.1069,Athens_Univ;CASMI_2016;Eawag;UFZ,SM857053;EA020851|EA020852|EA020853|EA020854|EA020855|EA020856|EA020857|EA020858|EA020859|EA020860|EA020861|EA020862|EA020863|EA020864;UF409451|UF409452|UF409453|UF409454,[M-H]-;[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,196.1131:240.1029:192.0818;196.1136:180.0817|240.1031:196.1136|196.1133:240.1029|196.1133:240.1029:180.0822|196.1133:192.082:180.082|196.1128:192.0821:180.0819|180.0817:192.0816:92.0505|240.1031:196.1131|196.1134:240.103|196.1133:240.103:180.0817|196.1132:180.0817:192.0822|196.113:180.0819:192.0815|194.0978:180.0816:196.1128|196.1136:240.103;240.1029:196.1133|196.1132:240.1028|196.1132|196.1131,CASMI_2016;Eawag;UFZ
100.000.473,200-519-4,61-80-3,Zoxazolamine,"5-chloro-1,3-benzoxazol-2-amine",Nc1oc2ccc(Cl)cc2n1,Nc1oc2ccc(Cl)cc2n1,"InChI=1/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)",C7H5ClN2O,,,,,,YGCODSQDUUUKIV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.474,200-521-5,61-82-5,Amitrole,"1H-1,2,4-triazol-3-amine",Nc1nc[nH]n1,Nc1nc[nH]n1,"InChI=1/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",C2H4N4,,,,,,KLSJWNVTNUYHDU-UHFFFAOYSA-N,Positive,SM810703,[M+H]+,HCD35,85.0508:57.0449:58.0401,CASMI_2016,,,,,
100.000.480,200-527-8,62-31-7,Dopamine hydrochloride,"4-(2-aminoethyl)benzene-1,2-diol hydrochloride",Cl.NCCc1ccc(O)c(O)c1,Cl.NCCc1ccc(O)c(O)c1,"InChI=1/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H",C8H11NO2.ClH,,,,,,CTENFNNZBMHDDG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.547,201-701-6,86-81-7,"3,4,5-trimethoxybenzaldehyde","3,4,5-trimethoxybenzaldehyde",COc1cc(C=O)cc(OC)c1OC,COc1cc(C=O)cc(OC)c1OC,"InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3",C10H12O4,,,,,,OPHQOIGEOHXOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.549,201-703-7,86-84-0,1-naphthyl isocyanate,1-isocyanatonaphthalene,O=C=Nc1cccc2ccccc12,O=C=Nc1cccc2ccccc12,InChI=1/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,C11H7NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5378,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.549,BDQNKCYCTYYMAA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.563,201-718-9,87-02-5,7-amino-4-hydroxynaphthalene-2-sulphonic acid,7-amino-4-hydroxynaphthalene-2-sulfonic acid,Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5592,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.563,KYARBIJYVGJZLB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.565,201-721-5,87-05-8,7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2H-chromen-2-one,CCOc1ccc2C(=CC(=O)Oc2c1)C,CCOc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3",C12H12O3,,,,,,NKRISXMDKXBVRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.578,201-735-1,87-25-2,Ethyl anthranilate,ethyl 2-aminobenzoate,CCOC(=O)c1ccccc1N,CCOC(=O)c1ccccc1N,"InChI=1/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3",C9H11NO2,,,,,,TWLLPUMZVVGILS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.580,201-737-2,87-28-5,2-hydroxyethyl salicylate,2-hydroxyethyl salicylate,OCCOC(=O)c1ccccc1O,OCCOC(=O)c1ccccc1O,"InChI=1/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2",C9H10O4,,,,,,LVYLCBNXHHHPSB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.581,201-738-8,87-29-6,Cinnamyl anthranilate,3-phenylprop-2-en-1-yl 2-aminobenzoate,Nc1ccccc1C(=O)OC\\C=C\\c2ccccc2,Nc1ccccc1C(=O)OC\C=C\c2ccccc2,"InChI=1/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2",C16H15NO2,,,,,,GABQNAFEZZDSCM-RMKNXTFCSA-N,,,,,,,,,,,
100.001.597,201-756-6,87-60-5,3-chloro-o-toluidine,3-chloro-2-methylaniline,Cc1c(N)cccc1Cl,Cc1c(N)cccc1Cl,"InChI=1/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3",C7H8ClN,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7044,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.597,ZUVPLKVDZNDZCM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.598,201-757-1,87-61-6,"1,2,3-trichlorobenzene","1,2,3-trichlorobenzene",Clc1cccc(Cl)c1Cl,Clc1cccc(Cl)c1Cl,InChI=1/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H,C6H3Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1948,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.598,RELMFMZEBKVZJC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.601,201-760-8,87-64-9,6-chloro-o-cresol,2-chloro-6-methylphenol,Cc1cccc(Cl)c1O,Cc1cccc(Cl)c1O,"InChI=1/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3",C7H7ClO,,,,,,YPNZJHFXFVLXSE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.604,201-763-4,87-67-2,Choline hydrogen tartrate,"2-hydroxy-N,N,N-trimethylethanaminium hydrogen tartarate",C[N+](C)(C)CCO.OC(C(O)C(=O)[O-])C(=O)[O-],C[N+](C)(C)CCO.OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-2",C5H14NO.C4H5O6,,,,,,QWJSAWXRUVVRLH-UHFFFAOYSA-L,,,,,,,,,,,
100.001.605,201-765-5,87-68-3,"Hexachlorobuta-1,3-diene","1,1,2,3,4,4-hexachlorobuta-1,3-diene",ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl,ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl,InChI=1/C4Cl6/c5-1(3(7)8)2(6)4(9)10,C4Cl6,,,,,,RWNKSTSCBHKHTB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.612,201-772-3,87-81-0,D-tagatose,D-tagatose,OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO,OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2",C6H12O6,,,,,,BJHIKXHVCXFQLS-PQLUHFTBSA-N,,,,,,,,,,,
100.001.615,201-776-5,87-84-3,"1,2,3,4,5-pentabromo-6-chlorocyclohexane","1,2,3,4,5-pentabromo-6-chlorocyclohexane",ClC1C(Br)C(Br)C(Br)C(Br)C1Br,ClC1C(Br)C(Br)C(Br)C(Br)C1Br,InChI=1/C6H6Br5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,C6H6Br5Cl,,,,,,UZOSVZSBPTTWIG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.623,201-784-9,87-92-3,Dibutyl tartrate,dibutyl tartarate,CCCCOC(=O)C(O)C(O)C(=O)OCCCC,CCCCOC(=O)C(O)C(O)C(=O)OCCCC,"InChI=1/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3",C12H22O6,,,,,,PCYQQSKDZQTOQG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.625,200-687-9,68-39-3,DL-4-aminoisoxazolidin-3-one,4-aminoisoxazolidin-3-one,NC1CONC1=O,NC1CONC1=O,"InChI=1/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)",C3H6N2O2,,,,,,DYDCUQKUCUHJBH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.626,200-688-4,68-41-7,Cycloserine,4-aminoisoxazolidin-3-one,NC1CONC1=O,NC1CONC1=O,"InChI=1/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)",C3H6N2O2,,,,,,DYDCUQKUCUHJBH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.634,200-697-3,68-94-0,Purin-6(1H)-one,hypoxanthine,O=C2N\\C=N/c1ncnc12,O=C2N\C=N/c1ncnc12,"InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",C5H4N4O,,,,,,FDGQSTZJBFJUBT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.513,202-764-2,99-54-7,"1,2-dichloro-4-nitrobenzene","1,2-dichloro-4-nitrobenzene",[O-][N+](=O)c1ccc(Cl)c(Cl)c1,[O-][N+](=O)c1ccc(Cl)c(Cl)c1,InChI=1/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,C6H3Cl2NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12146,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.513,NTBYINQTYWZXLH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.516,202-767-9,99-57-0,2-amino-4-nitrophenol,2-amino-4-nitrophenol,Nc1cc(ccc1O)[N+](=O)[O-],Nc1cc(ccc1O)[N+](=O)[O-],"InChI=1/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2",C6H6N2O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8646,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.516,VLZVIIYRNMWPSN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.519,202-771-0,99-60-5,2-chloro-4-nitrobenzoic acid,2-chloro-4-nitrobenzoic acid,OC(=O)c1ccc(cc1Cl)[N+](=O)[O-],OC(=O)c1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)",C7H4ClNO4,,,,,,QAYNSPOKTRVZRC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.526,202-778-9,99-68-3,(carboxymethylthio)succinic acid,2-[(carboxymethyl)sulfanyl]succinic acid,OC(=O)CSC(CC(=O)O)C(=O)O,OC(=O)CSC(CC(=O)O)C(=O)O,"InChI=1/C6H8O6S/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H8O6S,,,,,,JPHVSDWIWBDHOC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.529,202-782-0,99-72-9,2-(p-tolyl)propionaldehyde,2-(4-methylphenyl)propanal,CC(C=O)c1ccc(C)cc1,CC(C=O)c1ccc(C)cc1,"InChI=1/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3",C10H12O,,,,,,JTZWVKUZBNHSSW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.537,202-790-4,99-82-1,1-isopropyl-4-methylcyclohexane,1-isopropyl-4-methylcyclohexane,CC(C)C1CCC(C)CC1,CC(C)C1CCC(C)CC1,"InChI=1/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3",C10H20,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12773,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.537,CFJYNSNXFXLKNS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.540,202-794-6,99-85-4,"p-mentha-1,4-diene","1-isopropyl-4-methylcyclohexa-1,4-diene",CC(C)C1=CCC(=CC1)C,CC(C)C1=CCC(=CC1)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",C10H16,,,,,,YKFLAYDHMOASIY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.541,202-795-1,99-86-5,"p-mentha-1,3-diene","1-isopropyl-4-methylcyclohexa-1,3-diene",CC(C)C1=CC=C(C)CC1,CC(C)C1=CC=C(C)CC1,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3",C10H16,,,,,,YHQGMYUVUMAZJR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.542,202-796-7,99-87-6,p-cymene,1-isopropyl-4-methylbenzene,CC(C)c1ccc(C)cc1,CC(C)c1ccc(C)cc1,"InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",C10H14,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8564,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.542,HFPZCAJZSCWRBC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.545,202-799-3,99-90-1,4'-bromoacetophenone,1-(4-bromophenyl)ethanone,CC(=O)c1ccc(Br)cc1,CC(=O)c1ccc(Br)cc1,"InChI=1/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",C8H7BrO,,,,,,WYECURVXVYPVAT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.547,202-801-2,99-92-3,4'-aminoacetophenone,1-(4-aminophenyl)ethanone,CC(=O)c1ccc(N)cc1,CC(=O)c1ccc(N)cc1,"InChI=1/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3",C8H9NO,,,,,,GPRYKVSEZCQIHD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.552,202-807-5,99-98-9,"4-amino-N,N-dimethylaniline","N,N-dimethylbenzene-1,4-diamine",CN(C)c1ccc(N)cc1,CN(C)c1ccc(N)cc1,"InChI=1/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3",C8H12N2,,,,,,BZORFPDSXLZWJF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.559,202-814-3,100-05-0,4-nitrobenzenediazonium chloride,4-nitrobenzenediazonium chloride,[Cl-].[O-][N+](=O)c1ccc(cc1)[N+]#N,[Cl-].[O-][N+](=O)c1ccc(cc1)[N+]#N,InChI=1/C6H4N3O2.ClH/c7-8-5-1-3-6(4-2-5)9(10)11;/h1-4H;1H/q+1;/p-1,C6H4N3O2.Cl,,,,,,GAVPOWTXUZVFML-UHFFFAOYSA-M,,,,,,,,,,,
100.002.560,202-815-9,100-06-1,4'-methoxyacetophenone,1-(4-methoxyphenyl)ethanone,COc1ccc(cc1)C(=O)C,COc1ccc(cc1)C(=O)C,"InChI=1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3",C9H10O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7442,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.560,NTPLXRHDUXRPNE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.562,202-818-5,100-09-4,p-anisic acid,4-methoxybenzoic acid,COc1ccc(cc1)C(=O)O,COc1ccc(cc1)C(=O)O,"InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O3,,,,,,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.563,202-819-0,100-10-7,4-dimethylaminobenzaldehyde,4-(dimethylamino)benzaldehyde,CN(C)c1ccc(C=O)cc1,CN(C)c1ccc(C=O)cc1,"InChI=1/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3",C9H11NO,,,,,,BGNGWHSBYQYVRX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.565,202-821-1,100-12-9,1-ethyl-4-nitrobenzene,1-ethyl-4-nitrobenzene,CCc1ccc(cc1)[N+](=O)[O-],CCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3",C8H9NO2,,,,,,RESTWAHJFMZUIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.566,202-822-7,100-14-1,a-chloro-4-nitrotoluene,1-(chloromethyl)-4-nitrobenzene,[O-][N+](=O)c1ccc(CCl)cc1,[O-][N+](=O)c1ccc(CCl)cc1,"InChI=1/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2",C7H6ClNO2,,,,,,KGCNHWXDPDPSBV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.571,202-827-4,100-19-6,4'-nitroacetophenone,1-(4-nitrophenyl)ethanone,CC(=O)c1ccc(cc1)[N+](=O)[O-],CC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3",C8H7NO3,,,,,,YQYGPGKTNQNXMH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.573,202-830-0,100-21-0,Terephthalic acid,terephthalic acid,OC(=O)c1ccc(cc1)C(=O)O,OC(=O)c1ccc(cc1)C(=O)O,"InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",C8H6O4,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15563,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.573,KKEYFWRCBNTPAC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.484,200-532-5,62-38-4,Phenylmercury acetate,phenylmercury(1+) acetate,O=C([O-])C.[Hg+]\\C\\1=C\\C=C/C=C/1,O=C([O-])C.[Hg+]\C\1=C\C=C/C=C/1,"InChI=1/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1/rC6H5Hg.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h1-5H;1H3,(H,3,4)/q+1;/p-1",C8H8HgO2,,,,,,XEBWQGVWTUSTLN-UHFFFAOYSA-M,,,,,,,,,,,
100.000.492,200-540-9,62-54-4,Calcium di(acetate),calcium diacetate,[Ca+2].CC(=O)[O-].CC(=O)[O-],[Ca+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Ca,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13608,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.492,VSGNNIFQASZAOI-UHFFFAOYSA-L,,,,,,,,,,,
100.000.494,200-543-5,62-56-6,Thiourea,thiourea,NC(=S)N,NC(=S)N,"InChI=1/CH4N2S/c2-1(3)4/h(H4,2,3,4)",CH4N2S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11868,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.494,UMGDCJDMYOKAJW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.500,200-549-8,62-75-9,Dimethylnitrosoamine,N-methyl-N-nitrosomethanamine,CN(C)N=O,CN(C)N=O,InChI=1/C2H6N2O/c1-4(2)3-5/h1-2H3,C2H6N2O,,,,,,UMFJAHHVKNCGLG-UHFFFAOYSA-N,Positive,EQ344701|EQ344702|EQ344703|EQ344704|EQ344705|EQ344706,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,75.0553:58.0526:57.0447|75.0553:58.0526|75.0552:58.0525:57.0447|75.0552:58.0525:57.0447|75.0553:58.0526:57.0447|75.0553:58.0526:57.0447,Eawag,,,,,
100.000.508,200-558-7,63-39-8,Uridine 5'-(tetrahydrogen triphosphate),uridine 5'-(tetrahydrogen triphosphate),O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O,"InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)",C9H15N2O15P3,,,,,,PGAVKCOVUIYSFO-XVFCMESISA-N,,,,,,,,,,,
100.000.511,200-561-3,63-56-9,Thonzylamine hydrochloride,"N-(4-methoxybenzyl)-N',N'-dimethyl-N-pyrimidin-2-ylethane-1,2-diamine hydrochloride",Cl.COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,Cl.COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,"InChI=1/C16H22N4O.ClH/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14;/h4-10H,11-13H2,1-3H3;1H",C16H22N4O.ClH,,,,,,HRYJPHOTGFERGT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.513,200-563-4,63-74-1,Sulphanilamide,4-aminobenzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)N,Nc1ccc(cc1)S(=O)(=O)N,"InChI=1/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",C6H8N2O2S,,,,,,FDDDEECHVMSUSB-UHFFFAOYSA-N,Positive,mzcloud:1767,[M+H]+,HCD_Averaged,50.01512:65.03857:66.04640:76.03075:92.04947:93.05730:108.0444:125.0471:156.01140,HighChem,,,,,
100.000.132,200-144-6,52-52-8,1-aminocyclopentane-1-carboxylic acid,1-aminocyclopentanecarboxylic acid,NC1(CCCC1)C(=O)O,NC1(CCCC1)C(=O)O,"InChI=1/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)",C6H11NO2,,,,,,NILQLFBWTXNUOE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.133,200-145-1,52-53-9,Verapamil,"2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile",COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,"InChI=1/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3",C27H38N2O4,,,,,,SGTNSNPWRIOYBX-UHFFFAOYSA-N,Positive,AU226001|AU226002|AU226003|AU226004|AU226005;SM855703;EA067401|EA067402|EA067403|EA067404|EA067405|EA067406|EA067407|EA067408|EA067409|EA067410|EA067411|EA067412|EA067413|EA067414;UF408101|UF408102|UF408103|UF408104,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,455.291:456.2939:457.2963|455.291:456.2939:165.0902|165.09:455.29:303.2064|165.0902:150.0667:303.2067|165.0899:150.0667:151.0721;165.0911:455.2906:150.0676;303.207:165.0913:150.0676|455.291:150.0669|165.0911:455.2907:303.2067|165.0913:303.2068:150.0676|165.0911:150.0676:105.0699|150.0676:165.0911:105.07|150.0676:135.0442:134.0727|455.2907|165.0912:455.2906:303.2068|165.0912:303.2069:150.0676|165.0913:150.0677:105.07|150.0677:165.0911:105.0699|135.0441:150.0676:134.0727|303.2071:165.0911:150.0676;165.0913:150.0678:105.07|150.0677:105.0699:134.0728|303.2074:165.0914:260.1651|303.2074:165.0913:260.1651,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.000.138,200-150-9,52-70-0,"6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate","6,9-difluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C23H28F2O6/c1-12(26)31-11-19(29)22(30)7-5-14-15-9-17(24)16-8-13(27)4-6-20(16,2)23(15,25)18(28)10-21(14,22)3/h4,6,8,14-15,17-18,28,30H,5,7,9-11H2,1-3H3",C23H28F2O6,,,,,,LAAFISZDLHQNFS-WGFKBPOKSA-N,,,,,,,,,,,
100.000.142,200-155-6,52-86-8,Haloperidol,4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,"InChI=1/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",C21H23ClFNO2,,,,,,LNEPOXFFQSENCJ-UHFFFAOYSA-N,Positive,AU112201|AU112202|AU112203|AU112204|AU112205;EQ356601|EQ356602|EQ356603|EQ356604|EQ356605|EQ356606|EQ356607|EQ356608|EQ356609,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,376.1476:378.1446:377.151|376.1402:165.0656:377.1438|165.0703:123.0235:166.0738|165.0707:123.0238:166.074|123.0233:165.0702:124.0269;376.1476:358.1371:165.0709|165.071:376.1476:358.137|165.0711:123.0241:358.1371|123.024:165.0711:113.0397|123.0241:123.0349:165.0711|123.0241:123.0351:113.0397|123.0352:113.0397:123.0242|75.0229:123.0353:113.0397|75.0229:74.0151:123.0353,Athens_Univ;Eawag,,,,,
100.000.143,200-156-1,52-88-0,Atropine methonitrate,"3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane nitrate",C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.[O-][N+](=O)[O-],C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.[O-][N+](=O)[O-],"InChI=1/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1",C18H26NO3.NO3,,,,,,NEDVJZNVOSNSHF-KUMOIWDRSA-N,,,,,,,,,,,
100.000.147,200-160-3,53-03-2,Prednisone,"17,21-dihydroxypregna-1,4-diene-3,11,20-trione",C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3",C21H26O5,,,,,,XOFYZVNMUHMLCC-ZPOLXVRWSA-N,Positive/Negative,SM874401,[M+H]+,HCD35,359.1854:341.1749:147.0804,CASMI_2016,SM874454,[M-H]-,HCD35,327.1602:299.1656:123.0446,CASMI_2016
100.000.151,200-165-0,53-18-9,Bietaserpine,"methyl 1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate",CCN(CC)CCn1c2[C@H]3C[C@H]4[C@H](C[C@@H](OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@H](OC)[C@H]4C(=O)OC)CN3CCc2c6ccc(OC)cc16,CCN(CC)CCn1c2[C@H]3C[C@H]4[C@H](C[C@@H](OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@H](OC)[C@H]4C(=O)OC)CN3CCc2c6ccc(OC)cc16,"InChI=1/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3",C39H53N3O9,,,,,,WFTSRDISOMSAQC-ZNFOTRSXSA-N,,,,,,,,,,,
100.000.649,200-713-9,69-74-9,1-ß-D-arabinofuranosylcytosine hydrochloride,4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one hydrochloride,Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O,Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O,"InChI=1/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H",C9H13N3O5.ClH,,,,,,KCURWTAZOZXKSJ-JBMRGDGGSA-N,,,,,,,,,,,
100.000.650,200-714-4,69-78-3,"3,3'-dithiobis[6-nitrobenzoic] acid","3,3'-disulfanediylbis(6-nitrobenzoic acid)",OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-],OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-],"InChI=1/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)",C14H8N2O8S2,,,,,,KIUMMUBSPKGMOY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.654,200-719-1,69-91-0,a-phenylglycine,amino(phenyl)acetic acid,NC(C(=O)O)c1ccccc1,NC(C(=O)O)c1ccccc1,"InChI=1/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)",C8H9NO2,,,,,,ZGUNAGUHMKGQNY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.657,200-722-8,70-00-8,Trifluridine,2'-deoxy-5-(trifluoromethyl)uridine,FC(F)(F)C\\1=C\\N(C(=O)NC/1=O)[C@H]2C[C@H](O)[C@@H](CO)O2,FC(F)(F)C\1=C\N(C(=O)NC/1=O)[C@H]2C[C@H](O)[C@@H](CO)O2,"InChI=1/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)",C10H11F3N2O5,,,,,,VSQQQLOSPVPRAZ-RRKCRQDMSA-N,,,,,,,,,,,
100.000.661,200-727-5,70-19-9,Tetrahydrofurfuryl nicotinate,tetrahydrofuran-2-ylmethyl nicotinate,O=C(OCC1CCCO1)c2cccnc2,O=C(OCC1CCCO1)c2cccnc2,"InChI=1/C11H13NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1,3,5,7,10H,2,4,6,8H2",C11H13NO3,,,,,,RQAITHJHUFFEIV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.663,200-729-6,70-23-5,Ethyl bromopyruvate,ethyl 3-bromo-2-oxopropanoate,CCOC(=O)C(=O)CBr,CCOC(=O)C(=O)CBr,"InChI=1/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3",C5H7BrO3,,,,,,VICYTAYPKBLQFB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.664,200-730-1,70-25-7,1-methyl-3-nitro-1-nitrosoguanidine,1-methyl-3-nitro-1-nitrosoguanidine,CN(N=O)C(=N)N[N+](=O)[O-],CN(N=O)C(=N)N[N+](=O)[O-],"InChI=1/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)",C2H5N5O3,,,,,,VZUNGTLZRAYYDE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.669,200-735-9,70-47-3,Asparagine,asparagine,NC(CC(=O)N)C(=O)O,NC(CC(=O)N)C(=O)O,"InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",C4H8N2O3,,,,,,DCXYFEDJOCDNAF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.671,200-738-5,70-51-9,Deferoxamine,N'-{5-[acetyl(hydroxy)amino]pentyl}-N-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N-hydroxysuccinamide,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,"InChI=1/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)",C25H48N6O8,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17782,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.671,UBQYURCVBFRUQT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.672,200-739-0,70-53-1,DL-lysine monohydrochloride,lysine hydrochloride,Cl.NCCCCC(N)C(=O)O,Cl.NCCCCC(N)C(=O)O,"InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H",C6H14N2O2.ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6319,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.672,BVHLGVCQOALMSV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.673,200-740-6,70-54-2,DL-lysine,lysine,NCCCCC(N)C(=O)O,NCCCCC(N)C(=O)O,"InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)",C6H14N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11797,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.673,KDXKERNSBIXSRK-UHFFFAOYSA-N,Positive,ML004701,[M+H]+,HCD50,84.0806:130.0861:147.1124,MetaboLights,,,,,
100.000.681,200-749-5,71-30-7,Cytosine,cytosine,NC1=NC(=O)NC=C1,NC1=NC(=O)NC=C1,"InChI=1/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)",C4H5N3O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6166,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.681,OPTASPLRGRRNAP-UHFFFAOYSA-N,Positive,ML003201,[M+H]+,HCD50,112.0508:95.0242:94.0403,MetaboLights,,,,,
100.000.682,200-750-0,71-33-0,"1,3,5-triazine-2,4(1H,3H)-dione","1,3,5-triazine-2,4(1H,3H)-dione",O=C1NC=NC(=O)N1,O=C1NC=NC(=O)N1,"InChI=1/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8)",C3H3N3O2,,,,,,GEWRKGDRYZIFNP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.688,200-756-3,71-55-6,"1,1,1-trichloroethane","1,1,1-trichloroethane",CC(Cl)(Cl)Cl,CC(Cl)(Cl)Cl,"InChI=1/C2H3Cl3/c1-2(3,4)5/h1H3",C2H3Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12667,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.688,UOCLXMDMGBRAIB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.693,200-762-6,71-68-1,Hydromorphone hydrochloride,"3-hydroxy-17-methyl-4,5-epoxymorphinan-6-one hydrochloride",Cl.CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,Cl.CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,"InChI=1/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2,4,10-11,16,19H,3,5-8H2,1H3;1H",C17H19NO3.ClH,,,,,,XHILEZUETWRSHC-NRGUFEMZSA-N,,,,,,,,,,,
100.000.694,200-763-1,71-73-8,Thiopental sodium,"sodium 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate",[Na+].CCCC(C)C1(CC)C(=O)NC(=NC1=O)[S-],[Na+].CCCC(C)C1(CC)C(=O)NC(=NC1=O)[S-],"InChI=1/C11H18N2O2S.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1",C11H18N2O2S.Na,,,,,,AWLILQARPMWUHA-UHFFFAOYSA-M,,,,,,,,,,,
100.002.574,202-831-6,100-22-1,"N,N,N',N'-tetramethyl-p-phenylenediamine","N,N,N',N'-tetramethylbenzene-1,4-diamine",CN(C)c1ccc(cc1)N(C)C,CN(C)c1ccc(cc1)N(C)C,"InChI=1/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3",C10H16N2,,,,,,CJAOGUFAAWZWNI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.582,202-840-5,100-32-3,Bis(4-nitrophenyl) disulphide,"1,1'-disulfanediylbis(4-nitrobenzene)",[O-][N+](=O)c1ccc(SSc2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(SSc2ccc(cc2)[N+](=O)[O-])cc1,InChI=1/C12H8N2O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,C12H8N2O4S2,,,,,,KWGZRLZJBLEVFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.584,202-842-6,100-34-5,Benzenediazonium chloride,benzenediazonium chloride,[Cl-].N#[N+]c1ccccc1,[Cl-].N#[N+]c1ccccc1,InChI=1/C6H5N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1,C6H5N2.Cl,,,,,,CLRSZXHOSMKUIB-UHFFFAOYSA-M,,,,,,,,,,,
100.002.594,202-853-6,100-44-7,a-chlorotoluene,(chloromethyl)benzene,ClCc1ccccc1,ClCc1ccccc1,"InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7Cl,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14202,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.594,KCXMKQUNVWSEMD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.601,202-860-4,100-52-7,Benzaldehyde,benzaldehyde,O=Cc1ccccc1,O=Cc1ccccc1,InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,C7H6O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15940,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.601,HUMNYLRZRPPJDN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.602,202-862-5,100-53-8,Toluene-a-thiol,phenylmethanethiol,SCc1ccccc1,SCc1ccccc1,"InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",C7H8S,,,,,,UENWRTRMUIOCKN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.607,202-867-2,100-58-3,Bromophenylmagnesium,bromo(phenyl)magnesium,Br[Mg]c1ccccc1,Br[Mg]c1ccccc1,InChI=1/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1/rC6H5BrMg/c7-8-6-4-2-1-3-5-6/h1-5H,C6H5BrMg,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16928,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.607,ANRQGKOBLBYXFM-UHFFFAOYSA-M,,,,,,,,,,,
100.002.614,202-875-6,100-65-2,Phenylhydroxylamine,N-hydroxyaniline,ONc1ccccc1,ONc1ccccc1,"InChI=1/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H",C6H7NO,,,,,,CKRZKMFTZCFYGB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.615,202-876-1,100-66-3,Anisole,methoxybenzene,COc1ccccc1,COc1ccccc1,"InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",C7H8O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14423,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.615,RDOXTESZEPMUJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.625,202-887-1,100-76-5,Quinuclidine,quinuclidine,C1CN2CCC1CC2,C1CN2CCC1CC2,"InChI=1/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2",C7H13N,,,,,,SBYHFKPVCBCYGV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.629,202-891-3,100-82-3,3-fluorobenzylamine,1-(3-fluorophenyl)methanamine,NCc1cccc(F)c1,NCc1cccc(F)c1,"InChI=1/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2",C7H8FN,,,,,,QVSVMNXRLWSNGS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.640,202-903-7,100-94-7,Dibenzyldimethylammonium chloride,"N-benzyl-N,N-dimethylphenylmethanaminium chloride",[Cl-].C[N+](C)(Cc1ccccc1)Cc2ccccc2,[Cl-].C[N+](C)(Cc1ccccc1)Cc2ccccc2,"InChI=1/C16H20N.ClH/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1",C16H20N.Cl,,,,,,LCXAARCEIWRIMU-UHFFFAOYSA-M,,,,,,,,,,,
100.002.646,202-910-5,101-05-3,Anilazine,"4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine",Clc1ccccc1Nc2nc(Cl)nc(Cl)n2,Clc1ccccc1Nc2nc(Cl)nc(Cl)n2,"InChI=1/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)",C9H5Cl3N4,,,,,,IMHBYKMAHXWHRP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.647,202-911-0,101-06-4,2-[bis(phenylmethyl)amino]ethanol,2-(dibenzylamino)ethanol,OCCN(Cc1ccccc1)Cc2ccccc2,OCCN(Cc1ccccc1)Cc2ccccc2,"InChI=1/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2",C16H19NO,,,,,,WTTWSMJHJFNCQB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.651,202-915-2,101-10-0,Cloprop,2-(3-chlorophenoxy)propanoic acid,CC(Oc1cccc(Cl)c1)C(=O)O,CC(Oc1cccc(Cl)c1)C(=O)O,"InChI=1/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)",C9H9ClO3,,,,,,YNTJKQDWYXUTLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.658,202-923-6,101-18-8,m-anilinophenol,3-anilinophenol,Oc1cccc(Nc2ccccc2)c1,Oc1cccc(Nc2ccccc2)c1,"InChI=1/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H",C12H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18911,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.658,NDACNGSDAFKTGE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.660,202-925-7,101-21-3,Chlorpropham,isopropyl (3-chlorophenyl)carbamate,CC(C)OC(=O)Nc1cccc(Cl)c1,CC(C)OC(=O)Nc1cccc(Cl)c1,"InChI=1/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)",C10H12ClNO2,,,,,,CWJSHJJYOPWUGX-UHFFFAOYSA-N,Positive,SM845003,[M+H]+,HCD35,94.0652:106.0652:124.087,CASMI_2016,,,,,
100.002.671,202-937-2,101-38-2,"2,6-dichloro-4-(chloroimino)cyclohexa-2,5-dienone","2,6-dichloro-4-(chloroimino)cyclohexa-2,5-dien-1-one",ClN=C1C=C(Cl)C(=O)C(=C1)Cl,ClN=C1C=C(Cl)C(=O)C(=C1)Cl,InChI=1/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H,C6H2Cl3NO,,,,,,YHUMTHWQGWPJOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.673,202-939-3,101-40-6,"N,a-dimethylcyclohexaneethylamine",1-cyclohexyl-N-methylpropan-2-amine,CNC(C)CC1CCCCC1,CNC(C)CC1CCCCC1,"InChI=1/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",C10H21N,,,,,,JCRIVQIOJSSCQD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.152,200-166-6,53-19-0,Mitotane,"1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene",ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl,ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl,"InChI=1/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H",C14H10Cl4,,,,,,JWBOIMRXGHLCPP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.160,200-175-5,53-43-0,Prasterone,3-hydroxyandrost-5-en-17-one,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O,"InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3",C19H28O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13358,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.160,FMGSKLZLMKYGDP-USOAJAOKSA-N,Positive,EQ308501|EQ308502|EQ308503|EQ308504|EQ308505|EQ308506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,271.2056:253.1951:289.2162|253.195:213.1637:271.2056|213.1637:197.1324:157.1012|213.1638:157.1012:145.1012|81.0699:91.0542:105.0699|91.0542:105.0699:81.0699,Eawag,,,,,
100.000.163,200-178-1,53-59-8,Nadide phosphate,nadide phosphate,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,"InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)",C21H28N7O17P3,,,,,,XJLXINKUBYWONI-NNYOXOHSSA-N,,,,,,,,,,,
100.000.166,200-181-8,53-70-3,"Dibenz[a,h]anthracene",benzo[k]tetraphene,c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23,c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23,InChI=1/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H,C22H14,,,,,,LHRCREOYAASXPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.167,200-182-3,53-73-6,Angiotensinamide,L-asparaginyl-L-arginylvalyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanine,CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)O,CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)O,"InChI=1/C49H70N14O11/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,64H,8-9,12-13,18-23,50H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55)",C49H70N14O11,,,,,,JYPVVOOBQVVUQV-CGHBYZBKSA-N,,,,,,,,,,,
100.000.170,200-186-5,53-86-1,Indometacin,[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,"InChI=1/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",C19H16ClNO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12427,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.170,CGIGDMFJXJATDK-UHFFFAOYSA-N,Positive/Negative,SM861101;EA020701|EA020702|EA020703|EA020704|EA020705|EA020706|EA020707|EA020708|EA020709|EA020710|EA020711|EA020712|EA020713|EA020714,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,138.9944:358.0841:174.0914;174.0915:138.9948:312.0788|358.0845:138.9947:174.0915|138.9945:174.0913:312.0782|138.9945:174.0912:110.9995|138.9945:139.0056:86.9996|138.9948:86.9997:110.9996|139.0057:138.9947:86.9997|358.0841:138.9946:174.0915|138.9946:174.0914:358.0853|138.9946:174.0914:86.9997|138.9946:139.006:86.9997|138.9946:139.0055:86.9996|139.0057:138.9947:86.9997|174.0914:138.9946:312.0785,CASMI_2016;Eawag,SM861152;EA020751|EA020752|EA020753|EA020754|EA020755|EA020756|EA020757|EA020758|EA020759|EA020760|EA020761|EA020762|EA020764,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,312.0797:282.0327:297.0561;312.0791|312.0801:270.068|297.0565:312.0788|158.0617:312.078|282.0336:158.061|158.0613|158.0613|312.0795:297.0557:270.0682|297.0561:312.0797:270.0688|158.061:297.0568:312.0773|282.0326:158.0611|158.061|312.0793,CASMI_2016;Eawag
100.000.172,200-188-6,53-96-3,N-fluoren-2-ylacetamide,N-9H-fluoren-2-ylacetamide,CC(=O)Nc1ccc2c(Cc3ccccc23)c1,CC(=O)Nc1ccc2c(Cc3ccccc23)c1,"InChI=1/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)",C15H13NO,,,,,,CZIHNRWJTSTCEX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.182,200-199-6,54-25-1,"2-(ß-D-ribofuranosyl)-1,2,4-triazine-3,5-diol","5-hydroxy-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-one",O=C1/N=C(/O)\\C=N/N1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,O=C1/N=C(/O)\C=N/N1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,"InChI=1/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)",C8H11N3O6,,,,,,WYXSYVWAUAUWLD-SHUUEZRQSA-N,,,,,,,,,,,
100.000.184,200-202-0,54-30-8,Camylofin,3-methylbutyl {[2-(diethylamino)ethyl]amino}(phenyl)acetate,CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1,CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1,"InChI=1/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3",C19H32N2O2,,,,,,RYOOHIUJEJZCFT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.190,200-208-3,54-47-7,Pyridoxal 5'-(dihydrogen phosphate),(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate,Cc1ncc(COP(=O)(O)O)c(C=O)c1O,Cc1ncc(COP(=O)(O)O)c(C=O)c1O,"InChI=1/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)",C8H10NO6P,,,,,,NGVDGCNFYWLIFO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.193,200-212-5,54-71-7,Pilocarpine hydrochloride,3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one hydrochloride,Cl.CC[C@H]1[C@@H](Cc2cncn2C)COC1=O,Cl.CC[C@H]1[C@@H](Cc2cncn2C)COC1=O,"InChI=1/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H",C11H16N2O2.ClH,,,,,,RNAICSBVACLLGM-GNAZCLTHSA-N,,,,,,,,,,,
100.000.199,200-218-8,54-92-2,Iproniazid,N'-isopropylisonicotinohydrazide,CC(C)NNC(=O)c1ccncc1,CC(C)NNC(=O)c1ccncc1,"InChI=1/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)",C9H13N3O,,,,,,NYMGNSNKLVNMIA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.200,200-219-3,54-95-5,Pentetrazol,"6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine",C1CCc2nnnn2CC1,C1CCc2nnnn2CC1,InChI=1/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2,C6H10N4,,,,,,CWRVKFFCRWGWCS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.205,200-225-6,55-16-3,Hyoscine hydrochloride,"9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate hydrochloride",Cl.CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,Cl.CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,"InChI=1/C17H21NO4.ClH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H",C17H21NO4.ClH,,,,,,KXPXJGYSEPEXMF-MOUKNHLCSA-N,,,,,,,,,,,
100.001.217,201-337-8,81-25-4,Cholic acid,"3,7,12-trihydroxycholan-24-oic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)",C24H40O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13911,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.217,BHQCQFFYRZLCQQ-OELDTZBJSA-N,Negative,,,,,,UF422951|UF422952|UF422953|UF422954,[M-H]-,HCD55|HCD80|CID35|CID55,407.2802:188.0838|407.2801|343.2641:345.2796:289.2173|343.2641:345.2796:289.2173,UFZ
100.001.227,201-348-8,81-42-5,"1,4-diamino-2,3-dichloroanthraquinone","1,4-diamino-2,3-dichloro-9,10-anthraquinone",Nc1c(Cl)c(Cl)c(N)c2C(=O)c3ccccc3C(=O)c12,Nc1c(Cl)c(Cl)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8Cl2N2O2/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-3-1-2-4-6(5)14(8)20/h1-4H,17-18H2",C14H8Cl2N2O2,,,,,,KZYAYVSWIPZDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.229,201-350-9,81-45-8,"N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide","N-(4-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",Clc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13,Clc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C21H12ClNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)",C21H12ClNO3,,,,,,FNCVZYRPXOZNSM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.233,201-355-6,81-50-5,1-amino-4-bromo-2-methylanthraquinone,"1-amino-4-bromo-2-methyl-9,10-anthraquinone",Cc1cc(Br)c2C(=O)c3ccccc3C(=O)c2c1N,Cc1cc(Br)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C15H10BrNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3",C15H10BrNO2,,,,,,VIQMJMDPUIBXQO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.242,201-365-0,81-60-7,"1,4,5,8-tetrahydroxyanthraquinone","1,4,5,8-tetrahydroxy-9,10-anthraquinone",Oc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,Oc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,"InChI=1/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H",C14H8O6,,,,,,SOGCSKLTQHBFLP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.243,201-366-6,81-61-8,"1,2,5,8-tetrahydroxyanthraquinone","1,2,5,8-tetrahydroxy-9,10-anthraquinone",Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O,Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O,"InChI=1/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H",C14H8O6,,,,,,VBHKTXLEJZIDJF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.697,200-766-8,71-81-8,Isopropamide iodide,"4-amino-N,N-diisopropyl-N-methyl-4-oxo-3,3-diphenylbutan-1-aminium iodide",[I-].CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C,[I-].CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C,"InChI=1/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H",C23H33N2O.I,,,,,,BFSMWENDZZIWPW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.700,200-769-4,71-91-0,Tetrylammonium bromide,"N,N,N-triethylethanaminium bromide",[Br-].CC[N+](CC)(CC)CC,[Br-].CC[N+](CC)(CC)CC,"InChI=1/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",C8H20N.Br,,,,,,HWCKGOZZJDHMNC-UHFFFAOYSA-M,,,,,,,,,,,
100.000.703,200-773-6,72-18-4,L-valine,L-valine,CC(C)[C@H](N)C(=O)O,CC(C)[C@H](N)C(=O)O,"InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)",C5H11NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14506,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.703,KZSNJWFQEVHDMF-BYPYZUCNSA-N,,,,,,,,,,,
100.000.707,200-777-8,72-33-3,Mestranol,"17-ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol",COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1,COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1,"InChI=1/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3",C21H26O2,,,,,,IMSSROKUHAOUJS-MJCUULBUSA-N,,,,,,,,,,,
100.000.709,200-779-9,72-43-5,Methoxychlor,"1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxybenzene)",COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,"InChI=1/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3",C16H15Cl3O2,,,,,,IAKOZHOLGAGEJT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.715,200-786-7,72-57-1,"Tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonate]","tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(N)c1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(N)c1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5)S([O-])(=O)=O,"InChI=1/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H28N6O14S4.4Na,,,,,,GLNADSQYFUSGOU-UHFFFAOYSA-J,,,,,,,,,,,
100.000.716,200-787-2,72-63-9,Metandienone,"17-hydroxy-17-methylandrosta-1,4-dien-3-one",C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3",C20H28O2,,,,,,XWALNWXLMVGSFR-HLXURNFRSA-N,,,,,,,,,,,
100.000.717,200-788-8,72-69-5,Nortriptyline,"3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine",CNCCC=C1c2ccccc2CCc3ccccc13,CNCCC=C1c2ccccc2CCc3ccccc13,"InChI=1/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3",C19H21N,,,,,,PHVGLTMQBUFIQQ-UHFFFAOYSA-N,Positive,AU156706;EQ369201|EQ369202|EQ369203|EQ369204|EQ369205|EQ369206|EQ369207|EQ369208|EQ369209,[M+H]+;[M+H]+,CIDRAMP 20.3-30.5;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,91.0539:233.1328:105.0707;264.1746:233.1325:91.0542|233.1325:264.1747:91.0542|91.0542:105.0699:117.0698|91.0542:105.0699:117.0698|91.0542:105.0699:117.0699|91.0542:203.0855:115.0542|91.0542:202.0777:115.0542|202.0776:91.0542:115.0542|65.0386:115.0542:189.0699,Athens_Univ;Eawag,,,,,
100.000.720,200-791-4,73-03-0,3'-deoxyadenosine,3'-deoxyadenosine,Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)C[C@H]3O,Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)C[C@H]3O,"InChI=1/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)",C10H13N5O3,,,,,,OFEZSBMBBKLLBJ-BAJZRUMYSA-N,,,,,,,,,,,
100.000.723,200-795-6,73-22-3,L-tryptophan,L-tryptophan,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",C11H12N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10835,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.723,QIVBCDIJIAJPQS-VIFPVBQESA-N,,,,,,,,,,,
100.000.725,200-797-7,73-31-4,N-(2-(5-methoxyindol-3-yl)ethyl)acetamide,N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide,COc1ccc2[nH]cc(CCNC(=O)C)c2c1,COc1ccc2[nH]cc(CCNC(=O)C)c2c1,"InChI=1/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",C13H16N2O2,,,,,,DRLFMBDRBRZALE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.729,200-801-7,73-49-4,Quinethazone,"7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide",CCC1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N,CCC1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N,"InChI=1/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)",C10H12ClN3O3S,,,,,,AGMMTXLNIQSRCG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.730,200-802-2,73-66-5,5-ethoxymethyl-2-methylpyrimidin-4-ylamine,5-(ethoxymethyl)-2-methylpyrimidin-4-amine,CCOCc1cnc(C)nc1N,CCOCc1cnc(C)nc1N,"InChI=1/C8H13N3O/c1-3-12-5-7-4-10-6(2)11-8(7)9/h4H,3,5H2,1-2H3,(H2,9,10,11)",C8H13N3O,,,,,,KEYFHYRXUHGMLW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.733,200-805-9,74-11-3,4-chlorobenzoic acid,4-chlorobenzoic acid,OC(=O)c1ccc(Cl)cc1,OC(=O)c1ccc(Cl)cc1,"InChI=1/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",C7H5ClO2,,,,,,XRHGYUZYPHTUJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.674,202-940-9,101-41-7,Methyl phenylacetate,methyl phenylacetate,COC(=O)Cc1ccccc1,COC(=O)Cc1ccccc1,"InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C9H10O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12025,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.674,CRZQGDNQQAALAY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.682,202-949-8,101-52-0,4-[(4-nitrophenyl)azo]-o-anisidine,2-methoxy-4-[(4-nitrophenyl)diazenyl]aniline,Nc1ccc(cc1OC)N=Nc2ccc(cc2)[N+]([O-])=O,Nc1ccc(cc1OC)N=Nc2ccc(cc2)[N+]([O-])=O,"InChI=1/C13H12N4O3/c1-20-13-8-10(4-7-12(13)14)16-15-9-2-5-11(6-3-9)17(18)19/h2-8H,14H2,1H3",C13H12N4O3,,,,,,UXLCBMUEIPAQSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.690,202-958-7,101-60-0,"21H,23H-porphine",porphine,C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C=C5)C=C4)C=C3,C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C=C5)C=C4)C=C3,InChI=1/C20H12N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12H,C20H14N4,,,,,,AJYZYPAMLMSWHG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.709,202-979-1,101-82-6,2-benzylpyridine,2-benzylpyridine,C(c1ccccc1)c2ccccn2,C(c1ccccc1)c2ccccn2,"InChI=1/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2",C12H11N,,,,,,PCFUWBOSXMKGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.710,202-980-7,101-83-7,Dicyclohexylamine,N-cyclohexylcyclohexanamine,C1CCC(CC1)NC2CCCCC2,C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2",C12H23N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13263,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.710,XBPCUCUWBYBCDP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.715,202-985-4,101-89-3,2-methyl-4-(o-tolylazo)benzenediazonium hydrogen sulphate,2-methyl-4-[(2-methylphenyl)diazenyl]benzenediazonium hydrogen sulfate,[H+].[O-]S([O-])(=O)=O.Cc2cc(N=Nc1ccccc1C)ccc2[N+]#N,[H+].[O-]S([O-])(=O)=O.Cc2cc(N=Nc1ccccc1C)ccc2[N+]#N,"InChI=1/C14H13N4.H2O4S.H2/c1-10-5-3-4-6-14(10)18-17-12-7-8-13(16-15)11(2)9-12;1-5(2,3)4;/h3-9H,1-2H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C14H13N4.HO4S,,,,,,PPTXFSQSISUDAU-UHFFFAOYSA-M,,,,,,,,,,,
100.002.721,202-992-2,101-96-2,"N,N'-di-sec-butyl-p-phenylenediamine","N,N'-di-sec-butylbenzene-1,4-diamine",CCC(C)Nc1ccc(NC(C)CC)cc1,CCC(C)Nc1ccc(NC(C)CC)cc1,"InChI=1/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3",C14H24N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13653,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.721,FSWDLYNGJBGFJH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.723,202-994-3,101-98-4,2-(benzylmethylamino)ethanol,2-[benzyl(methyl)amino]ethanol,CN(CCO)Cc1ccccc1,CN(CCO)Cc1ccccc1,"InChI=1/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3",C10H15NO,,,,,,WOUANPHGFPAJCA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.725,202-996-4,102-01-2,Acetoacetanilide,3-oxo-N-phenylbutanamide,CC(=O)CC(=O)Nc1ccccc1,CC(=O)CC(=O)Nc1ccccc1,"InChI=1/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)",C10H11NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14590,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.725,DYRDKSSFIWVSNM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.373,203-709-5,109-82-0,Methyleneaminoacetonitrile,(methyleneamino)acetonitrile,C=NCC#N,C=NCC#N,"InChI=1/C3H4N2/c1-5-3-2-4/h1,3H2",C3H4N2,,,,,,GFZMFCVDDFHSJK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.375,203-711-6,109-84-2,2-hydrazinoethanol,2-hydrazinoethanol,NNCCO,NNCCO,"InChI=1/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2",C2H8N2O,,,,,,GBHCABUWWQUMAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.378,203-714-2,109-87-5,Dimethoxymethane,dimethoxymethane,COCOC,COCOC,"InChI=1/C3H8O2/c1-4-3-5-2/h3H2,1-2H3",C3H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5159,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.378,NKDDWNXOKDWJAK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.381,203-717-9,109-90-0,Ethyl isocyanate,isocyanatoethane,CCN=C=O,CCN=C=O,"InChI=1/C3H5NO/c1-2-4-3-5/h2H2,1H3",C3H5NO,,,,,,WUDNUHPRLBTKOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.388,203-725-2,109-98-8,"4,5-dihydro-1H-pyrazole","4,5-dihydro-1H-pyrazole",C1CC=NN1,C1CC=NN1,"InChI=1/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2",C3H6N2,,,,,,MCGBIXXDQFWVDW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.393,203-731-5,110-03-2,"2,5-dimethylhexane-2,5-diol","2,5-dimethylhexane-2,5-diol",CC(C)(O)CCC(C)(C)O,CC(C)(O)CCC(C)(C)O,"InChI=1/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3",C8H18O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14263,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.393,ZWNMRZQYWRLGMM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.396,203-734-1,110-06-5,Di-tert-butyl disulphide,"2,2'-disulfanediylbis(2-methylpropane)",CC(C)(C)SSC(C)(C)C,CC(C)(C)SSC(C)(C)C,"InChI=1/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3",C8H18S2,,,,,,BKCNDTDWDGQHSD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.398,203-736-2,110-11-2,Octyl hydrogen sulphate,octyl hydrogen sulfate,CCCCCCCCOS(=O)(=O)O,CCCCCCCCOS(=O)(=O)O,"InChI=1/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)",C8H18O4S,,,,,,UZZYXUGECOQHPU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.399,203-737-8,110-12-3,5-methylhexan-2-one,5-methylhexan-2-one,CC(C)CCC(=O)C,CC(C)CCC(=O)C,"InChI=1/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3",C7H14O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10538,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.399,FFWSICBKRCICMR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.118,203-428-8,106-73-0,Methyl heptanoate,methyl heptanoate,CCCCCCC(=O)OC,CCCCCCC(=O)OC,"InChI=1/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3",C8H16O2,,,,,,XNCNNDVCAUWAIT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.210,200-230-3,55-31-2,(R)-4-[1-hydroxy-2-(methylamino)ethyl]pyrocatechol hydrochloride,"4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol hydrochloride",Cl.CNC[C@H](O)c1ccc(O)c(O)c1,Cl.CNC[C@H](O)c1ccc(O)c(O)c1,"InChI=1/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H",C9H13NO3.ClH,,,,,,ATADHKWKHYVBTJ-FVGYRXGTSA-N,,,,,,,,,,,
100.000.211,200-231-9,55-38-9,Fenthion,"O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate",COP(=S)(OC)Oc1ccc(SC)c(C)c1,COP(=S)(OC)Oc1ccc(SC)c(C)c1,"InChI=1/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3",C10H15O3PS2,,,,,,PNVJTZOFSHSLTO-UHFFFAOYSA-N,Positive,AU315501|AU315502|AU315503|AU315504|AU315505;SM848001,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35,279.0272:247.0008:169.013|169.0132:247.0005:138.0488|169.0128:153.0356:124.9812|168.9862:153.0362:169.0131|168.986:121.0099:152.9815;231.024:279.0274:216.0005,Athens_Univ;CASMI_2016,,,,,
100.000.216,200-237-1,55-55-0,Bis(4-hydroxy-N-methylanilinium) sulphate,bis(4-hydroxy-N-methylanilinium) sulfate,C[NH2+]c1ccc(O)cc1.C[NH2+]c2ccc(O)cc2.[O-]S(=O)(=O)[O-],C[NH2+]c1ccc(O)cc1.C[NH2+]c2ccc(O)cc2.[O-]S(=O)(=O)[O-],"InChI=1/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)",C7H9NO.1/2H2O4S,,,,,,ZVNPWFOVUDMGRP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.218,200-239-2,55-57-2,1-phenylbiguanide monohydrochloride,N-phenylimidodicarbonimidic diamide hydrochloride,Cl.NC(=N)NC(=N)Nc1ccccc1,Cl.NC(=N)NC(=N)Nc1ccccc1,"InChI=1/C8H11N5.ClH/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;/h1-5H,(H6,9,10,11,12,13);1H",C8H11N5.ClH,,,,,,FHUDRDSKZQDCBC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.220,200-241-3,55-65-2,Guanethidine,1-(2-azocan-1-ylethyl)guanidine,NC(=N)NCCN1CCCCCCC1,NC(=N)NCCN1CCCCCCC1,"InChI=1/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)",C10H22N4,,,,,,ACGDKVXYNVEAGU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.221,200-242-9,55-68-5,Phenylmercury nitrate,phenylmercury(1+) nitrate,[O-][N+](=O)[O-].[Hg+]c1ccccc1,[O-][N+](=O)[O-].[Hg+]c1ccccc1,InChI=1/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1/rC6H5Hg.NO3/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5H;/q+1;-1,C6H5HgNO3,,,,,,PDTFCHSETJBPTR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.228,200-250-2,55-98-1,Busulfan,"butane-1,4-diyl dimethanesulfonate",CS(=O)(=O)OCCCCOS(=O)(=O)C,CS(=O)(=O)OCCCCOS(=O)(=O)C,"InChI=1/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3",C6H14O6S2,,,,,,COVZYZSDYWQREU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.236,200-259-1,56-15-5,"3,3'-iminobis(propionohydrazide)","3,3'-iminodipropanehydrazide (non-preferred name)",NNC(=O)CCNCCC(=O)NN,NNC(=O)CCNCCC(=O)NN,"InChI=1/C6H15N5O2/c7-10-5(12)1-3-9-4-2-6(13)11-8/h9H,1-4,7-8H2,(H,10,12)(H,11,13)",C6H15N5O2,,,,,,PMTZRCXZAULERP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.242,200-265-4,56-33-7,"1,1,3,3-tetramethyl-1,3-diphenyldisiloxane","1,1,3,3-tetramethyl-1,3-diphenyldisiloxane",C[Si](C)(O[Si](C)(C)c1ccccc1)c2ccccc2,C[Si](C)(O[Si](C)(C)c1ccccc1)c2ccccc2,"InChI=1/C16H22OSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3",C16H22OSi2,,,,,,YQJPWWLJDNCSCN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.243,200-267-5,56-34-8,Tetraethylammonium chloride,"N,N,N-triethylethanaminium chloride",[Cl-].CC[N+](CC)(CC)CC,[Cl-].CC[N+](CC)(CC)CC,"InChI=1/C8H20N.ClH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",C8H20N.Cl,,,,,,YMBCJWGVCUEGHA-UHFFFAOYSA-M,,,,,,,,,,,
100.000.246,200-270-1,56-37-1,Benzyltriethylammonium chloride,"N-benzyl-N,N-diethylethanaminium chloride",[Cl-].CC[N+](CC)(CC)Cc1ccccc1,[Cl-].CC[N+](CC)(CC)Cc1ccccc1,"InChI=1/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1",C13H22N.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17283,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.246,HTZCNXWZYVXIMZ-UHFFFAOYSA-M,,,,,,,,,,,
100.000.249,200-273-8,56-41-7,L-alanine,L-alanine,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O,"InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)",C3H7NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14143,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.249,QNAYBMKLOCPYGJ-REOHCLBHSA-N,,,,,,,,,,,
100.000.250,200-274-3,56-45-1,L-serine,L-serine,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,"InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)",C3H7NO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5558,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.250,MTCFGRXMJLQNBG-REOHCLBHSA-N,,,,,,,,,,,
100.000.252,200-276-4,56-49-5,3-methylcholanthrene,"3-methyl-1,2-dihydrocyclopenta[ij]tetraphene",Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25,Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25,"InChI=1/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3",C21H16,,,,,,PPQNQXQZIWHJRB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.254,200-279-0,56-54-2,Quinidine,6'-methoxycinchonan-9-ol,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3",C20H24N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16705,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.254,LOUPRKONTZGTKE-LHHVKLHASA-N,,,,,,,,,,,
100.000.260,200-285-3,56-72-4,Coumaphos,"O-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yl) O,O-diethyl thiophosphate",CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,"InChI=1/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3",C14H16ClO5PS,,,,,,BXNANOICGRISHX-UHFFFAOYSA-N,Positive,AU113601|AU113602|AU113603|AU113604|AU113605,[M+H]+,CID10|CID20|CID30|CID40|CID50,363.0212:365.0192:364.0254|363.0226:306.9508:226.9867|226.9929:228.9897:306.9594|226.9926:228.9897:211.0155|226.9924:211.0156:225.9848,Athens_Univ,,,,,
100.000.263,200-289-5,56-81-5,Glycerol,glycerol,OCC(O)CO,OCC(O)CO,"InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",C3H8O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14481,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.263,PEDCQBHIVMGVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.244,201-367-1,81-63-0,"1,4-diamino-2,3-dihydroanthraquinone","1,4-diamino-2,3-dihydroanthracene-9,10-dione",NC1=C2C(=O)c3ccccc3C(=O)C2=C(N)CC1,NC1=C2C(=O)c3ccccc3C(=O)C2=C(N)CC1,"InChI=1/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4H,5-6,15-16H2",C14H12N2O2,,,,,,SSGALQHXKMAJTL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.245,201-368-7,81-64-1,"1,4-dihydroxyanthraquinone","1,4-dihydroxy-9,10-anthraquinone",Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H",C14H8O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11380,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.245,GUEIZVNYDFNHJU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.129,202-341-2,94-52-0,5-nitrobenzimidazole,6-nitro-1H-benzimidazole,[O-][N+](=O)c1ccc2nc[nH]c2c1,[O-][N+](=O)c1ccc2nc[nH]c2c1,"InChI=1/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)",C7H5N3O2,,,,,,XPAZGLFMMUODDK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.130,202-342-8,94-53-1,Piperonylic acid,"1,3-benzodioxole-5-carboxylic acid",OC(=O)c1ccc2OCOc2c1,OC(=O)c1ccc2OCOc2c1,"InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)",C8H6O4,,,,,,VDVJGIYXDVPQLP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.131,202-343-3,94-57-5,o-toluidinomethanesulphonic acid,[(2-methylphenyl)amino]methanesulfonic acid,Cc1ccccc1NCS(=O)(=O)O,Cc1ccccc1NCS(=O)(=O)O,"InChI=1/C8H11NO3S/c1-7-4-2-3-5-8(7)9-6-13(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)",C8H11NO3S,,,,,,HFFSVWNRHLTGLV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.135,202-348-0,94-62-2,Piperine,"1-[5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine",O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3,O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3,"InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2",C17H19NO3,,,,,,MXXWOMGUGJBKIW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.136,202-349-6,94-63-3,Pralidoxime iodide,2-[(hydroxyimino)methyl]-1-methylpyridinium iodide,[I-].ON=Cc1cccc[n+]1C,[I-].ON=Cc1cccc[n+]1C,"InChI=1/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H",C7H9N2O.I,,,,,,QNBVYCDYFJUNLO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.138,202-351-7,94-65-5,2-propylcyclohexanone,2-propylcyclohexanone,CCCC1CCCCC1=O,CCCC1CCCCC1=O,"InChI=1/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3",C9H16O,,,,,,OCJLPZCBZSCVCO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.142,202-355-9,94-69-9,2'-methylformanilide,N-(2-methylphenyl)formamide,Cc1ccccc1NC=O,Cc1ccccc1NC=O,"InChI=1/C8H9NO/c1-7-4-2-3-5-8(7)9-6-10/h2-6H,1H3,(H,9,10)",C8H9NO,,,,,,ZXTLGJAARBNQGK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.147,202-361-1,94-75-7,"2,4-D","(2,4-dichlorophenoxy)acetic acid",OC(=O)COc1ccc(Cl)cc1Cl,OC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6Cl2O3,,,,,,OVSKIKFHRZPJSS-UHFFFAOYSA-N,Negative,,,,,,SM837851;EA026751|EA026752|EA026753|EA026754|EA026755|EA026756|EA026757|EA026758|EA026759|EA026760|EA026761|EA026762|EA026763|EA026764,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,160.9566:124.9795:218.9621;160.9569:174.9725|160.9569:218.9622:174.973|160.9568|160.9569:124.9798|160.9568:124.98:89.0032|160.9568:124.9799:89.0034|160.9567:124.9799:89.0033|160.9568:218.9621:174.9721|160.9569:218.962|160.9568:124.98|160.9568:124.98|160.9567:124.9799:89.0032|160.9566:124.9798:89.0032|160.9569:174.9721,CASMI_2016;Eawag
100.002.150,202-364-8,94-80-4,"Butyl 2,4-dichlorophenoxyacetate","butyl (2,4-dichlorophenoxy)acetate",CCCCOC(=O)COc1ccc(Cl)cc1Cl,CCCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3",C12H14Cl2O3,,,,,,UQMRAFJOBWOFNS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.154,202-369-5,94-85-9,"2,5-diethoxyaniline","2,5-diethoxyaniline",CCOc1ccc(OCC)c(N)c1,CCOc1ccc(OCC)c(N)c1,"InChI=1/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3",C10H15NO2,,,,,,XPKFTIYOZUJAGA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.156,202-371-6,94-87-1,2-(o-chloroanilino)ethanol,2-[(2-chlorophenyl)amino]ethanol,OCCNc1ccccc1Cl,OCCNc1ccccc1Cl,"InChI=1/C8H10ClNO/c9-7-3-1-2-4-8(7)10-5-6-11/h1-4,10-11H,5-6H2",C8H10ClNO,,,,,,IAULHYVZSIFNPB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.158,202-373-7,94-89-3,3-(o-chloroanilino)propiononitrile,3-[(2-chlorophenyl)amino]propanenitrile,Clc1ccccc1NCCC#N,Clc1ccccc1NCCC#N,"InChI=1/C9H9ClN2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,7H2",C9H9ClN2,,,,,,WZAUNZSICROOPY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.159,202-374-2,94-91-7,"a,a'-propylenedinitrilodi-o-cresol","2,2'-[propane-1,2-diylbis(nitrilomethylylidene)]diphenol",Oc2ccccc2C=NC(C)CN=Cc1ccccc1O,Oc2ccccc2C=NC(C)CN=Cc1ccccc1O,"InChI=1/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3",C17H18N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5314,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.159,RURPJGZXBHYNEM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.160,202-375-8,94-92-8,"N,N'-ethylenedi-o-toluidine","N,N'-bis(2-methylphenyl)ethane-1,2-diamine",Cc1ccccc1NCCNc2ccccc2C,Cc1ccccc1NCCNc2ccccc2C,"InChI=1/C16H20N2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-10,17-18H,11-12H2,1-2H3",C16H20N2,,,,,,ZQMPWXFHAUDENN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.163,202-378-4,94-97-3,5-chlorobenzotriazole,6-chloro-1H-benzotriazole,Clc1cc2nnnc2cc1,Clc1cc2nnnc2cc1,"InChI=1/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)",C6H4ClN3,,,,,,PZBQVZFITSVHAW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.164,202-380-5,94-98-4,"2,4-dimethylbenzylamine","1-(2,4-dimethylphenyl)methanamine",Cc1ccc(CN)c(C)c1,Cc1ccc(CN)c(C)c1,"InChI=1/C9H13N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6,10H2,1-2H3",C9H13N,,,,,,GBSUVYGVEQDZPG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.168,202-384-7,95-02-3,4-amino-2-methylpyrimidine-5-methylamine,5-(aminomethyl)-2-methylpyrimidin-4-amine,Cc1ncc(CN)c(N)n1,Cc1ncc(CN)c(N)n1,"InChI=1/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)",C6H10N4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1555,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.168,OZOHTVFCSKFMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.735,200-808-5,74-39-5,4-(4-nitrophenylazo)resorcinol,"4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol",Oc2cc(O)ccc2N=Nc1ccc(cc1)[N+]([O-])=O,Oc2cc(O)ccc2N=Nc1ccc(cc1)[N+]([O-])=O,"InChI=1/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H",C12H9N3O4,,,,,,NGPGYVQZGRJHFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.736,200-809-0,74-40-8,Diethyl(2-phenoxyethyl)amine,"N,N-diethyl-2-phenoxyethanamine",CCN(CC)CCOc1ccccc1,CCN(CC)CCOc1ccccc1,"InChI=1/C12H19NO/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3",C12H19NO,,,,,,OOYKEEROCQGXPH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.739,200-812-7,74-82-8,Methane,methane,C,C,InChI=1/CH4/h1H4,CH4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14250,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.739,VNWKTOKETHGBQD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.744,200-817-4,74-87-3,Chloromethane,chloromethane,CCl,CCl,InChI=1/CH3Cl/c1-2/h1H3,CH3Cl,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15768,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.744,NEHMKBQYUWJMIP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.747,200-821-6,74-90-8,Hydrogen cyanide,cyanide,[C-]#N,[C-]#N,InChI=1/CN/c1-2/q-1,CHN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14996,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.747,XFXPMWWXUTWYJX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.748,200-822-1,74-93-1,Methanethiol,methanethiol,CS,CS,"InChI=1/CH4S/c1-2/h2H,1H3",CH4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13716,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.748,LSDPWZHWYPCBBB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.757,200-832-6,75-02-5,Fluoroethylene,fluoroethene,FC=C,FC=C,"InChI=1/C2H3F/c1-2-3/h2H,1H2",C2H3F,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10395,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.757,XUCNUKMRBVNAPB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.759,200-834-7,75-04-7,Ethylamine,ethanamine,CCN,CCN,"InChI=1/C2H7N/c1-2-3/h2-3H2,1H3",C2H7N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13596,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.759,QUSNBJAOOMFDIB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.760,200-835-2,75-05-8,Acetonitrile,acetonitrile,CC#N,CC#N,InChI=1/C2H3N/c1-2-3/h1H3,C2H3N,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15440,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.760,WEVYAHXRMPXWCK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.761,200-836-8,75-07-0,Acetaldehyde,acetaldehyde,CC=O,CC=O,"InChI=1/C2H4O/c1-2-3/h2H,1H3",C2H4O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10673,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.761,IKHGUXGNUITLKF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.767,200-843-6,75-15-0,Carbon disulphide,dithioxomethane,S=C=S,S=C=S,InChI=1/CS2/c2-1-3,CS2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14292,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.767,QGJOPFRUJISHPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.770,200-846-2,75-18-3,Dimethyl sulphide,dimethyl sulfide,CSC,CSC,InChI=1/C2H6S/c1-3-2/h1-2H3,C2H6S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13649,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.770,QMMFVYPAHWMCMS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.773,200-849-9,75-21-8,Ethylene oxide,oxirane,C1CO1,C1CO1,InChI=1/C2H4O/c1-2-3-1/h1-2H2,C2H4O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6191,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.773,IAYPIBMASNFSPL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.778,200-855-1,75-26-3,2-bromopropane,2-bromopropane,CC(C)Br,CC(C)Br,"InChI=1/C3H7Br/c1-3(2)4/h3H,1-2H3",C3H7Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14572,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.778,NAMYKGVDVNBCFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.521,200-572-3,64-00-6,3-isopropylphenyl methylcarbamate,3-isopropylphenyl methylcarbamate,CNC(=O)Oc1cccc(c1)C(C)C,CNC(=O)Oc1cccc(c1)C(C)C,"InChI=1/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)",C11H15NO2,,,,,,GYKXQTKSWLAUIT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.527,200-579-1,64-18-6,Formic acid,formic acid,OC=O,OC=O,"InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)",CH2O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15127,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.527,BDAGIHXWWSANSR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.536,200-589-6,64-67-5,Diethyl sulphate,diethyl sulfate,CCOS(=O)(=O)OCC,CCOS(=O)(=O)OCC,"InChI=1/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3",C4H10O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14957,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.536,DENRZWYUOJLTMF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.548,200-603-0,65-23-6,Pyridoxine,"4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol",Cc1ncc(CO)c(CO)c1O,Cc1ncc(CO)c(CO)c1O,"InChI=1/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",C8H11NO3,,,,,,LXNHXLLTXMVWPM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.550,200-605-1,65-29-2,Gallamine triethiodide,"2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(N,N,N-triethylethanaminium) triiodide",[I-].[I-].[I-].CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,[I-].[I-].[I-].CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,"InChI=1/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3",C30H60N3O3.3I,,,,,,REEUVFCVXKWOFE-UHFFFAOYSA-K,,,,,,,,,,,
100.000.557,200-613-5,65-49-6,4-aminosalicylic acid,4-amino-2-hydroxybenzoic acid,Nc1ccc(C(=O)O)c(O)c1,Nc1ccc(C(=O)O)c(O)c1,"InChI=1/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",C7H7NO3,,,,,,WUBBRNOQWQTFEX-UHFFFAOYSA-N,Negative,,,,,,mzcloud:192,[M-H]-,HCD_Averaged,108.04548:66.03493:67.01894,HighChem
100.000.558,200-614-0,65-61-2,"N,N,N',N'-tetramethylacridin-3,6-yldiamine hydrochloride","N,N,N',N'-tetramethylacridine-3,6-diamine",CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C,CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C,"InChI=1/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3",C17H19N3.ClH,,,,,,DPKHZNPWBDQZCN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.560,200-616-1,65-71-4,5-methyluracil,thymine,CC1=CNC(=O)NC1=O,CC1=CNC(=O)NC1=O,"InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",C5H6N2O2,,,,,,RWQNBRDOKXIBIV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.119,203-429-3,106-74-1,2-ethoxyethyl acrylate,2-ethoxyethyl acrylate,CCOCCOC(=O)C=C,CCOCCOC(=O)C=C,"InChI=1/C7H12O3/c1-3-7(8)10-6-5-9-4-2/h3H,1,4-6H2,2H3",C7H12O3,,,,,,FWWXYLGCHHIKNY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.124,203-435-6,106-84-3,Octyl 3-octyloxiran-2-octanoate,octyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCOC(=O)CCCCCCCC1OC1CCCCCCCC,CCCCCCCCOC(=O)CCCCCCCC1OC1CCCCCCCC,"InChI=1/C26H50O3/c1-3-5-7-9-12-16-20-24-25(29-24)21-17-13-11-14-18-22-26(27)28-23-19-15-10-8-6-4-2/h24-25H,3-23H2,1-2H3",C26H50O3,,,,,,FIBARIGPBPUBHC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.002,204-401-3,120-50-3,Isobutyl benzoate,isobutyl benzoate,CC(C)COC(=O)c1ccccc1,CC(C)COC(=O)c1ccccc1,"InChI=1/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O2,,,,,,KYZHGEFMXZOSJN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.004,204-403-4,120-52-5,p-benzoquinone bis(O-benzoyloxime),"1,4-benzoquinone bis(O-benzoyloxime)",O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c3ccccc3,O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c3ccccc3,InChI=1/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H,C20H14N2O4,,,,,,WMVSVUVZSYRWIY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.010,204-410-2,120-58-1,"5-prop-1-enyl-1,3-benzodioxole","5-prop-1-en-1-yl-1,3-benzodioxole",CC=Cc1ccc2OCOc2c1,CC=Cc1ccc2OCOc2c1,"InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3",C10H10O2,,,,,,VHVOLFRBFDOUSH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.011,204-411-8,120-61-6,Dimethyl terephthalate,dimethyl terephthalate,COC(=O)c1ccc(cc1)C(=O)OC,COC(=O)c1ccc(cc1)C(=O)OC,"InChI=1/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3",C10H10O4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15173,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.011,WOZVHXUHUFLZGK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.012,204-412-3,120-62-7,"1-(3,4-methylenedioxyphenyl)isopropyl octyl sulphoxide","5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole",CCCCCCCCS(=O)C(C)Cc1ccc2OCOc2c1,CCCCCCCCS(=O)C(C)Cc1ccc2OCOc2c1,"InChI=1/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3",C18H28O3S,,,,,,ATTZFSUZZUNHBP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.025,204-427-5,120-80-9,Pyrocatechol,pyrocatechol,Oc1ccccc1O,Oc1ccccc1O,"InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",C6H6O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10516,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.025,YCIMNLLNPGFGHC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.026,204-428-0,120-82-1,"1,2,4-trichlorobenzene","1,2,4-trichlorobenzene",Clc1ccc(Cl)c(Cl)c1,Clc1ccc(Cl)c(Cl)c1,InChI=1/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H,C6H3Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1155,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.026,PBKONEOXTCPAFI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.027,204-429-6,120-83-2,"2,4-dichlorophenol","2,4-dichlorophenol",Oc1ccc(Cl)cc1Cl,Oc1ccc(Cl)cc1Cl,"InChI=1/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",C6H4Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2179,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.027,HFZWRUODUSTPEG-UHFFFAOYSA-N,Negative,,,,,,SM864251,[M-H]-,HCD35,160.9567:124.9795:132.9815,CASMI_2016
100.004.033,204-435-9,120-92-3,Cyclopentanone,cyclopentanone,O=C1CCCC1,O=C1CCCC1,InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H2,C5H8O,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13920,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.033,BGTOWKSIORTVQH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.040,204-443-2,121-01-7,"4-nitro-a,a,a-trifluoro-o-toluidine",4-nitro-2-(trifluoromethyl)aniline,Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-],Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-],"InChI=1/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2",C7H5F3N2O2,,,,,,HOTZLWVITTVZGY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.787,203-065-5,102-92-1,Cinnamoyl chloride,3-phenylacryloyl chloride,ClC(=O)\\C=C\\c1ccccc1,ClC(=O)\C=C\c1ccccc1,InChI=1/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,C9H7ClO,,,,,,WOGITNXCNOTRLK-VOTSOKGWSA-N,,,,,,,,,,,
100.002.791,203-069-7,103-00-4,1-cyclohexylaminopropan-2-ol,1-(cyclohexylamino)propan-2-ol,CC(O)CNC1CCCCC1,CC(O)CNC1CCCCC1,"InChI=1/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3",C9H19NO,,,,,,HFHPBMVMXFZJNO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.792,203-070-2,103-01-5,N-phenylglycine,N-phenylglycine,OC(=O)CNc1ccccc1,OC(=O)CNc1ccccc1,"InChI=1/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)",C8H9NO2,,,,,,NPKSPKHJBVJUKB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.796,203-074-4,103-05-9,2-methyl-4-phenylbutan-2-ol,2-methyl-4-phenylbutan-2-ol,CC(C)(O)CCc1ccccc1,CC(C)(O)CCc1ccccc1,"InChI=1/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3",C11H16O,,,,,,YXVSKJDFNJFXAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.811,203-091-7,103-24-2,Bis(2-ethylhexyl) azelate,bis(2-ethylhexyl) azelaate,CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C25H48O4/c1-5-9-16-22(7-3)20-28-24(26)18-14-12-11-13-15-19-25(27)29-21-23(8-4)17-10-6-2/h22-23H,5-21H2,1-4H3",C25H48O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13416,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.811,ZDWGXBPVPXVXMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.812,203-092-2,103-25-3,Methyl 3-phenylpropionate,methyl 3-phenylpropanoate,COC(=O)CCc1ccccc1,COC(=O)CCc1ccccc1,"InChI=1/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",C10H12O2,,,,,,RPUSRLKKXPQSGP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.815,203-095-9,103-28-6,Benzyl isobutyrate,benzyl 2-methylpropanoate,CC(C)C(=O)OCc1ccccc1,CC(C)C(=O)OCc1ccccc1,"InChI=1/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18591,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.815,UIKJRDSCEYGECG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.266,200-292-1,56-85-9,Levoglutamide,L-glutamine,N[C@@H](CCC(=O)N)C(=O)O,N[C@@H](CCC(=O)N)C(=O)O,"InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)",C5H10N2O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17119,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.266,ZDXPYRJPNDTMRX-VKHMYHEASA-N,,,,,,,,,,,
100.000.268,200-294-2,56-87-1,L-lysine,L-lysine,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O,"InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)",C6H14N2O2,,,,,,KDXKERNSBIXSRK-YFKPBYRVSA-N,,,,,,,,,,,
100.000.275,200-302-4,56-95-1,Chlorhexidine di(acetate),"N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] diacetate",CC(=O)O.CC(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,CC(=O)O.CC(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,"InChI=1/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)",C22H30Cl2N10.2C2H4O2,,,,,,WDRFFJWBUDTUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.276,200-304-5,56-97-3,Trimedoxime bromide,"1,1'-propane-1,3-diylbis{4-[(hydroxyimino)methyl]pyridinium} dibromide",[Br-].[Br-].ON=Cc2cc[n+](CCC[n+]1ccc(C=NO)cc1)cc2,[Br-].[Br-].ON=Cc2cc[n+](CCC[n+]1ccc(C=NO)cc1)cc2,"InChI=1/C15H16N4O2.2BrH/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21;;/h2-5,8-13H,1,6-7H2;2*1H",C15H18N4O2.2Br,,,,,,JHZHWVQTOXIXIV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.287,200-316-0,57-14-7,"N,N-dimethylhydrazine","1,1-dimethylhydrazine",CN(C)N,CN(C)N,"InChI=1/C2H8N2/c1-4(2)3/h3H2,1-2H3",C2H8N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13787,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.287,RHUYHJGZWVXEHW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.294,200-323-9,57-33-0,Pentobarbital sodium,"sodium 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCCC(C)C1(CC)C(=O)NC(=NC1=O)[O-],[Na+].CCCC(C)C1(CC)C(=O)NC(=NC1=O)[O-],"InChI=1/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1",C11H18N2O3.Na,,,,,,QGMRQYFBGABWDR-UHFFFAOYSA-M,,,,,,,,,,,
100.000.302,200-332-8,57-47-6,Physostigmine,"1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate",CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1,CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1,"InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)",C15H21N3O2,,,,,,PIJVFDBKTWXHHD-HIFRSBDPSA-N,,,,,,,,,,,
100.000.303,200-333-3,57-48-7,Fructose,D-fructose,O[C@H](C(=O)CO)[C@H](O)[C@H](O)CO,O[C@H](C(=O)CO)[C@H](O)[C@H](O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2",C6H12O6,,,,,,BJHIKXHVCXFQLS-UYFOZJQFSA-N,,,,,,,,,,,
100.000.305,200-335-4,57-52-3,"3,3,7,7-tetraethyl-4,6-dioxa-5-thia-3,7-distannanonane 5,5-dioxide","3,3,7,7-tetraethyl-4,6-dioxa-5-thia-3,7-distannanonane 5,5-dioxide",CC[Sn](CC)(CC)OS(=O)(=O)O[Sn](CC)(CC)CC,CC[Sn](CC)(CC)OS(=O)(=O)O[Sn](CC)(CC)CC,"InChI=1/6C2H5.H2O4S.2Sn/c6*1-2;1-5(2,3)4;;/h6*1H2,2H3;(H2,1,2,3,4);;/q;;;;;;;2*+1/p-2/rC12H30O4SSn2/c1-7-18(8-2,9-3)15-17(13,14)16-19(10-4,11-5)12-6/h7-12H2,1-6H3",C12H30O4SSn2,,,,,,BTVURVLQSDTSSS-UHFFFAOYSA-L,,,,,,,,,,,
100.000.307,200-338-0,57-55-6,"Propane-1,2-diol",propylene glycol,CC(O)CO,CC(O)CO,"InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3",C3H8O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16001,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.307,DNIAPMSPPWPWGF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.312,200-343-8,57-64-7,Physostigmine salicylate,"2-hydroxybenzoic acid - 1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1)",CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OC(=O)c4ccccc4O,CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OC(=O)c4ccccc4O,"InChI=1/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)",C15H21N3O2.C7H6O3,,,,,,HZOTZTANVBDFOF-PBCQUBLHSA-N,,,,,,,,,,,
100.000.313,200-344-3,57-66-9,Probenecid,4-(dipropylsulfamoyl)benzoic acid,CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,"InChI=1/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)",C13H19NO4S,,,,,,DBABZHXKTCFAPX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.316,200-348-5,57-71-6,"2,3-butanedione monoxime","butane-2,3-dione oxime",CC(=O)\\C(=N\\O)\\C,CC(=O)\C(=N\O)\C,"InChI=1/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3",C4H7NO2,,,,,,FSEUPUDHEBLWJY-HWKANZROSA-N,,,,,,,,,,,
100.000.321,200-353-2,57-88-5,Cholesterol,cholest-5-en-3-ol,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3",C27H46O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11031,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.321,HVYWMOMLDIMFJA-DPAQBDIFSA-N,,,,,,,,,,,
100.000.328,200-361-6,58-05-9,5-formyltetrahydrofolic acid,"N-(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)glutamic acid",NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N2C=O)N1,NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N2C=O)N1,"InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)",C20H23N7O7,,,,,,VVIAGPKUTFNRDU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.185,202-402-3,95-24-9,6-chlorobenzothiazol-2-ylamine,"6-chloro-1,3-benzothiazol-2-amine",Nc1nc2ccc(Cl)cc2s1,Nc1nc2ccc(Cl)cc2s1,"InChI=1/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)",C7H5ClN2S,,,,,,VMNXKIDUTPOHPO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.186,202-403-9,95-25-0,Chlorzoxazone,"5-chloro-1,3-benzoxazol-2(3H)-one",Clc1ccc2OC(=O)Nc2c1,Clc1ccc2OC(=O)Nc2c1,"InChI=1/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",C7H4ClNO2,,,,,,TZFWDZFKRBELIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.188,202-406-5,95-27-2,Dimazole,"6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine",CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C,CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C,"InChI=1/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3",C15H23N3OS,,,,,,WGMYEOIMVYADRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.189,202-407-0,95-29-4,"N,N-diisopropylbenzothiazole-2-sulphenamide","N-(1,3-benzothiazol-2-ylsulfanyl)-N-isopropylpropan-2-amine",CC(C)N(Sc1nc2ccccc2s1)C(C)C,CC(C)N(Sc1nc2ccccc2s1)C(C)C,"InChI=1/C13H18N2S2/c1-9(2)15(10(3)4)17-13-14-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3",C13H18N2S2,,,,,,ILSQBBRAYMWZLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.190,202-408-6,95-30-7,Benzothiazol-2-yl diethyldithiocarbamate,"1,3-benzothiazol-2-yl diethyldithiocarbamate",CCN(CC)C(=S)Sc1nc2ccccc2s1,CCN(CC)C(=S)Sc1nc2ccccc2s1,"InChI=1/C12H14N2S3/c1-3-14(4-2)12(15)17-11-13-9-7-5-6-8-10(9)16-11/h5-8H,3-4H2,1-2H3",C12H14N2S3,,,,,,LFMQNMXVVXHZCC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.191,202-409-1,95-31-8,N-tert-butylbenzothiazole-2-sulphenamide,"N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine",CC(C)(C)NSc1nc2ccccc2s1,CC(C)(C)NSc1nc2ccccc2s1,"InChI=1/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3",C11H14N2S2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14892,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.191,IUJLOAKJZQBENM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.195,202-413-3,95-37-4,"4,5-dihydro-2-undecyl-1H-imidazole-1-ethylamine","2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCCCCCC1=NCCN1CCN,CCCCCCCCCCCC1=NCCN1CCN,"InChI=1/C16H33N3/c1-2-3-4-5-6-7-8-9-10-11-16-18-13-15-19(16)14-12-17/h2-15,17H2,1H3",C16H33N3,,,,,,UKRULNKPQHXSQF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.199,202-418-0,95-43-2,D-(-)-threose,"2,3,4-trihydroxybutanal",OC[C@@H](O)[C@H](O)C=O,OC[C@@H](O)[C@H](O)C=O,"InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2",C4H8O4,,,,,,YTBSYETUWUMLBZ-QWWZWVQMSA-N,,,,,,,,,,,
100.002.210,202-430-6,95-54-5,o-phenylenediamine,"benzene-1,2-diamine",Nc1ccccc1N,Nc1ccccc1N,"InChI=1/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2",C6H8N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1268,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.210,GEYOCULIXLDCMW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.211,202-431-1,95-55-6,2-aminophenol,2-aminophenol,Nc1ccccc1O,Nc1ccccc1O,"InChI=1/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2",C6H7NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6185,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.211,CDAWCLOXVUBKRW-UHFFFAOYSA-N,Positive,SM801101,[M+H]+,HCD35,110.06:92.0494:65.0387,CASMI_2016,,,,,
100.002.216,202-436-9,95-63-6,"1,2,4-trimethylbenzene","1,2,4-trimethylbenzene",Cc1ccc(C)c(C)c1,Cc1ccc(C)c(C)c1,"InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",C9H12,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13135,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.216,GWHJZXXIDMPWGX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.219,202-440-0,95-68-1,"2,4-xylidine","2,4-dimethylaniline",Cc1ccc(N)c(C)c1,Cc1ccc(N)c(C)c1,"InChI=1/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3",C8H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2085,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.219,CZZZABOKJQXEBO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.224,202-445-8,95-73-8,"2,4-dichlorotoluene","2,4-dichloro-1-methylbenzene",Cc1ccc(Cl)cc1Cl,Cc1ccc(Cl)cc1Cl,"InChI=1/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3",C7H6Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13164,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.224,FUNUTBJJKQIVSY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.227,202-448-4,95-76-1,"3,4-dichloroaniline","3,4-dichloroaniline",Nc1ccc(Cl)c(Cl)c1,Nc1ccc(Cl)c(Cl)c1,"InChI=1/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2",C6H5Cl2N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1156,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.227,SDYWXFYBZPNOFX-UHFFFAOYSA-N,Positive,SM810401,[M+H]+,HCD35,161.9871:127.0183:172.9668,CASMI_2016,,,,,
100.002.232,202-454-7,95-81-8,6-chloro-m-toluidine,2-chloro-5-methylaniline,Cc1ccc(Cl)c(N)c1,Cc1ccc(Cl)c(N)c1,"InChI=1/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3",C7H8ClN,,,,,,HPSCXFOQUFPEPE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.233,202-455-2,95-82-9,"2,5-dichloroaniline","2,5-dichloroaniline",Nc1cc(Cl)ccc1Cl,Nc1cc(Cl)ccc1Cl,"InChI=1/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2",C6H5Cl2N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6125,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.233,AVYGCQXNNJPXSS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.236,202-458-9,95-85-2,2-amino-4-chlorophenol,2-amino-4-chlorophenol,Nc1cc(Cl)ccc1O,Nc1cc(Cl)ccc1O,"InChI=1/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2",C6H6ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10289,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.236,SWFNPENEBHAHEB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.240,202-463-6,95-89-6,"3-chloro-2,5-dimethylpyrazine","3-chloro-2,5-dimethylpyrazine",Cc1cnc(C)c(Cl)n1,Cc1cnc(C)c(Cl)n1,"InChI=1/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3",C6H7ClN2,,,,,,NNBALVIZMGWZHS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.241,202-464-1,95-92-1,Diethyl oxalate,diethyl oxalate,CCOC(=O)C(=O)OCC,CCOC(=O)C(=O)OCC,"InChI=1/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3",C6H10O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14261,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.241,WYACBZDAHNBPPB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.562,200-618-2,65-85-0,Benzoic acid,benzoic acid,OC(=O)c1ccccc1,OC(=O)c1ccccc1,"InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",C7H6O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13124,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.562,WPYMKLBDIGXBTP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.564,200-620-3,66-02-4,"3,5-diiodotyrosine","3,5-diiodotyrosine",NC(Cc1cc(I)c(O)c(I)c1)C(=O)O,NC(Cc1cc(I)c(O)c(I)c1)C(=O)O,"InChI=1/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)",C9H9I2NO3,,,,,,NYPYHUZRZVSYKL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.566,200-622-4,66-23-9,(2-acetoxyethyl)trimethylammonium bromide,"2-acetoxy-N,N,N-trimethylethanaminium bromide",[Br-].CC(=O)OCC[N+](C)(C)C,[Br-].CC(=O)OCC[N+](C)(C)C,"InChI=1/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",C7H16NO2.Br,,,,,,ZEHGKSPCAMLJDC-UHFFFAOYSA-M,,,,,,,,,,,
100.000.568,200-625-0,66-27-3,Methyl methanesulphonate,methyl methanesulfonate,COS(=O)(=O)C,COS(=O)(=O)C,"InChI=1/C2H6O3S/c1-5-6(2,3)4/h1-2H3",C2H6O3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17543,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.568,MBABOKRGFJTBAE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.569,200-626-6,66-28-4,"(3ß,5ß)-3,5,14-trihydroxy-19-oxocard-20(22)-enolide","3,5,14-trihydroxy-19-oxocard-20(22)-enolide",C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5,C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5,"InChI=1/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3",C23H32O6,,,,,,ODJLBQGVINUMMR-HZXDTFASSA-N,,,,,,,,,,,
100.000.570,200-627-1,66-32-0,Strychnidin-10-one mononitrate,strychnidin-10-one nitrate,O[N+](=O)[O-].O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,O[N+](=O)[O-].O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2.HNO3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;2-1(3)4/h1-5,13,16-17,19-20H,6-11H2;(H,2,3,4)",C21H22N2O2.HNO3,,,,,,PCGVPMHGSJFFTI-ZEYGOCRCSA-N,,,,,,,,,,,
100.000.574,200-631-3,66-75-1,Uramustine,"5-[bis(2-chloroethyl)amino]pyrimidine-2,4(1H,3H)-dione",ClCCN(CCCl)C1=CNC(=O)NC1=O,ClCCN(CCCl)C1=CNC(=O)NC1=O,"InChI=1/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)",C8H11Cl2N3O2,,,,,,IDPUKCWIGUEADI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.585,200-643-9,67-07-2,Phosphocreatine,N-methyl-N-(phosphonocarbamimidoyl)glycine,CN(CC(=O)O)C(=N)NP(=O)(O)O,CN(CC(=O)O)C(=N)NP(=O)(O)O,"InChI=1/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)",C4H10N3O5P,,,,,,DRBBFCLWYRJSJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.586,200-644-4,67-16-3,"N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide","N,N'-[disulfanediylbis(5-hydroxypent-2-ene-3,2-diyl)]bis{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide}",CC(=C(CCO)SSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCO)N(Cc2cnc(C)nc2N)C=O,CC(=C(CCO)SSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCO)N(Cc2cnc(C)nc2N)C=O,"InChI=1/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)",C24H34N8O4S2,,,,,,GFEGEDUIIYDMOX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.600,200-660-1,67-62-9,O-methylhydroxylamine,O-methylhydroxylamine,CON,CON,"InChI=1/CH5NO/c1-3-2/h2H2,1H3",CH5NO,,,,,,GMPKIPWJBDOURN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.601,200-661-7,67-63-0,Propan-2-ol,propan-2-ol,CC(C)O,CC(C)O,"InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3",C3H8O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15339,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.601,KFZMGEQAYNKOFK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.603,200-663-8,67-66-3,Chloroform,chloroform,ClC(Cl)Cl,ClC(Cl)Cl,InChI=1/CHCl3/c2-1(3)4/h1H,CHCl3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14963,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.603,HEDRZPFGACZZDS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.605,200-665-9,67-71-0,Dimethyl sulphone,dimethyl sulfone,CS(=O)(=O)C,CS(=O)(=O)C,"InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H3",C2H6O2S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17580,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.605,HHVIBTZHLRERCL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.609,200-670-6,67-81-2,Penmesterol,"3-(cyclopentyloxy)-17-methylandrosta-3,5-dien-17-ol",C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)OC5CCCC5,C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)OC5CCCC5,"InChI=1/C25H38O2/c1-23-13-10-19(27-18-6-4-5-7-18)16-17(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h8,16,18,20-22,26H,4-7,9-15H2,1-3H3",C25H38O2,,,,,,ZUBDXGHKAAMAAA-RFXJPFPRSA-N,,,,,,,,,,,
100.000.612,200-673-2,67-97-0,Colecalciferol,"9,10-secocholesta-5,7,10-trien-3-ol",C=C3CC[C@H](O)CC3=CC=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C,C=C3CC[C@H](O)CC3=CC=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C,"InChI=1/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3",C27H44O,,,,,,QYSXJUFSXHHAJI-RWDMXNMGSA-N,,,,,,,,,,,
100.000.615,200-676-9,68-05-3,Tetraethylammonium iodide,"N,N,N-triethylethanaminium iodide",[I-].CC[N+](CC)(CC)CC,[I-].CC[N+](CC)(CC)CC,"InChI=1/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",C8H20N.I,,,,,,UQFSVBXCNGCBBW-UHFFFAOYSA-M,,,,,,,,,,,
100.002.817,203-098-5,103-30-0,trans-stilbene,"1,1'-ethene-1,2-diyldibenzene",C(=C\\c1ccccc1)/c2ccccc2,C(=C\c1ccccc1)/c2ccccc2,InChI=1/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H,C14H12,,,,,,PJANXHGTPQOBST-VAWYXSNFSA-N,,,,,,,,,,,
100.002.819,203-100-4,103-32-2,N-benzylaniline,N-benzylaniline,C(Nc1ccccc1)c2ccccc2,C(Nc1ccccc1)c2ccccc2,"InChI=1/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2",C13H13N,,,,,,GTWJETSWSUWSEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.825,203-107-2,103-39-9,2-[(1-methyl-2-phenoxyethyl)amino]ethanol,2-[(1-methyl-2-phenoxyethyl)amino]ethanol,CC(COc1ccccc1)NCCO,CC(COc1ccccc1)NCCO,"InChI=1/C11H17NO2/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3",C11H17NO2,,,,,,RANHEEPQMBBPKB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.836,203-119-8,103-52-6,Phenethyl butyrate,2-phenylethyl butyrate,CCCC(=O)OCCc1ccccc1,CCCC(=O)OCCc1ccccc1,"InChI=1/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",C12H16O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18641,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.836,WFNDDSQUKATKNX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.837,203-120-3,103-53-7,Phenethyl cinnamate,2-phenylethyl 3-phenylacrylate,O=C(OCCc1ccccc1)\\C=C\\c2ccccc2,O=C(OCCc1ccccc1)\C=C\c2ccccc2,"InChI=1/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2",C17H16O2,,,,,,MJQVZIANGRDJBT-VAWYXSNFSA-N,,,,,,,,,,,
100.002.838,203-121-9,103-54-8,Cinnamyl acetate,3-phenylprop-2-en-1-yl acetate,CC(=O)OC\\C=C\\c1ccccc1,CC(=O)OC\C=C\c1ccccc1,"InChI=1/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3",C11H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16797,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.838,WJSDHUCWMSHDCR-VMPITWQZSA-N,,,,,,,,,,,
100.002.841,203-125-0,103-58-2,3-phenylpropyl isobutyrate,3-phenylpropyl 2-methylpropanoate,CC(C)C(=O)OCCCc1ccccc1,CC(C)C(=O)OCCCc1ccccc1,"InChI=1/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3",C13H18O2,,,,,,VBTAKMZSMFMLGT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.846,203-130-8,103-63-9,1-bromo-2-phenylethane,(2-bromoethyl)benzene,BrCCc1ccccc1,BrCCc1ccccc1,"InChI=1/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9Br,,,,,,WMPPDTMATNBGJN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.847,203-131-3,103-64-0,ß-bromostyrene,(2-bromovinyl)benzene,Br\\C=C\\c1ccccc1,Br\C=C\c1ccccc1,InChI=1/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H,C8H7Br,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17758,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.847,YMOONIIMQBGTDU-VOTSOKGWSA-N,,,,,,,,,,,
100.002.848,203-132-9,103-65-1,Propylbenzene,propylbenzene,CCCc1ccccc1,CCCc1ccccc1,"InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",C9H12,,,,,,ODLMAHJVESYWTB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.850,203-135-5,103-69-5,N-ethylaniline,N-ethylaniline,CCNc1ccccc1,CCNc1ccccc1,"InChI=1/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",C8H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5338,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.850,OJGMBLNIHDZDGS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.854,203-139-7,103-73-1,Phenetole,ethoxybenzene,CCOc1ccccc1,CCOc1ccccc1,"InChI=1/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8H10O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12309,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.854,DLRJIFUOBPOJNS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.859,203-144-4,103-79-7,Phenylacetone,1-phenylacetone,CC(=O)Cc1ccccc1,CC(=O)Cc1ccccc1,"InChI=1/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3",C9H10O,,,,,,QCCDLTOVEPVEJK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.861,203-147-0,103-81-1,2-phenylacetamide,2-phenylacetamide,NC(=O)Cc1ccccc1,NC(=O)Cc1ccccc1,"InChI=1/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",C8H9NO,,,,,,LSBDFXRDZJMBSC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.863,203-149-1,103-83-3,Benzyldimethylamine,"N,N-dimethyl-1-phenylmethanamine",CN(C)Cc1ccccc1,CN(C)Cc1ccccc1,"InChI=1/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",C9H13N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13869,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.863,XXBDWLFCJWSEKW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.871,203-158-0,103-92-4,N-(4-aminophenyl)oxamic acid,[(4-aminophenyl)amino](oxo)acetic acid,Nc1ccc(NC(=O)C(=O)O)cc1,Nc1ccc(NC(=O)C(=O)O)cc1,"InChI=1/C8H8N2O3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)",C8H8N2O3,,,,,,HVAINFDIRWAPQM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.873,203-160-1,103-94-6,[(4-nitrophenyl)amino]oxoacetic acid,[(4-nitrophenyl)amino](oxo)acetic acid,OC(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-],OC(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H6N2O5/c11-7(8(12)13)9-5-1-3-6(4-2-5)10(14)15/h1-4H,(H,9,11)(H,12,13)",C8H6N2O5,,,,,,ZEJKSYPGUAUQKW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.882,203-170-6,104-06-3,Thioacetazone,N-[4-(carbamothioylcarbonohydrazonoyl)phenyl]acetamide,CC(=O)Nc1ccc(C=NNC(N)=S)cc1,CC(=O)Nc1ccc(C=NNC(N)=S)cc1,"InChI=1/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)",C10H12N4OS,,,,,,SRVJKTDHMYAMHA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.884,203-172-7,104-08-5,"2-(2-iodoethyl)-1,3-dioxolane-4-methanol","[2-(2-iodoethyl)-1,3-dioxolan-4-yl]methanol",OCC1COC(CCI)O1,OCC1COC(CCI)O1,"InChI=1/C6H11IO3/c7-2-1-6-9-4-5(3-8)10-6/h5-6,8H,1-4H2",C6H11IO3,,,,,,YPSNTKGTKXXRGU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.886,203-174-8,104-10-9,2-(4-aminophenyl)ethanol,2-(4-aminophenyl)ethanol,Nc1ccc(CCO)cc1,Nc1ccc(CCO)cc1,"InChI=1/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2",C8H11NO,,,,,,QXHDYMUPPXAMPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.330,200-363-7,58-13-9,S-[2-(diethylamino)ethyl] diphenyldithiocarbamate monohydrochloride,2-(diethylamino)ethyl diphenyldithiocarbamate hydrochloride,Cl.CCN(CC)CCSC(=S)N(c1ccccc1)c2ccccc2,Cl.CCN(CC)CCSC(=S)N(c1ccccc1)c2ccccc2,"InChI=1/C19H24N2S2.ClH/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,3-4,15-16H2,1-2H3;1H",C19H24N2OS.ClH,,,,,,WTIAYALDQWTBRI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.331,200-364-2,58-14-0,Pyrimethamine,"5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine",CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,"InChI=1/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)",C12H13ClN4,,,,,,WKSAUQYGYAYLPV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.332,200-365-8,58-15-1,Aminophenazone,"4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3",C13H17N3O,,,,,,RMMXTBMQSGEXHJ-UHFFFAOYSA-N,Positive,EA070201|EA070202|EA070203|EA070204|EA070205|EA070206|EA070207|EA070208|EA070209|EA070210|EA070211|EA070212|EA070213|EA070214;UF410401|UF410402|UF410403|UF410404,[M+H]+;[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,113.1075:111.0918:187.0868|232.1448:113.1074:111.0917|113.1074:232.1447:111.0917|113.1074:97.0761:111.0918|97.0761:58.0652:111.0917|97.0761:58.0652:56.0495|97.0761:58.0652:56.0495|232.1447:113.1074:111.0917|113.1074:232.1448:111.0918|113.1074:97.0761:111.0918|97.0762:58.0652:98.084|97.0761:58.0652:56.0495|97.0761:58.0652:56.0495|113.1075:111.0918:187.0869;97.0761:113.1074:98.0839|97.0761:70.0651:72.0808|113.1074:187.0868:111.0917|113.1074:187.0867:111.0917,Eawag;UFZ,,,,,
100.000.336,200-370-5,58-22-0,Testosterone,17-hydroxyandrost-4-en-3-one,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,"InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3",C19H28O2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8074,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.336,MUMGGOZAMZWBJJ-DYKIIFRCSA-N,,,,,,,,,,,
100.000.337,200-371-0,58-25-3,Chlordiazepoxide,"7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide",CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3,CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3,"InChI=1/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)",C16H14ClN3O,,,,,,ANTSCNMPPGJYLG-UHFFFAOYSA-N,Positive,AU154206,[M+H]+,CIDRAMP 21.6-32.4,282.08:283.0866:227.0498,Athens_Univ,,,,,
100.000.340,200-374-7,58-32-2,Dipyridamole,"2,2',2'',2'''-[(4,8-dipiperidin-1-ylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetraethanol",OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO,OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO,"InChI=1/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2",C24H40N8O4,,,,,,IZEKFCXSFNUWAM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.342,200-376-8,58-34-4,Thiazinamium metilsulfate,"N,N,N-trimethyl-1-(10H-phenothiazin-10-yl)propan-2-aminium methyl sulfate",COS(=O)(=O)[O-].CC(CN1c2ccccc2Sc3ccccc13)[N+](C)(C)C,COS(=O)(=O)[O-].CC(CN1c2ccccc2Sc3ccccc13)[N+](C)(C)C,"InChI=1/C18H23N2S.CH4O4S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-5-6(2,3)4/h5-12,14H,13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C18H23N2S.CH3O4S,,,,,,BVIDQAVCCRUFGU-UHFFFAOYSA-M,,,,,,,,,,,
100.000.343,200-377-3,58-36-6,Diphenoxarsin-10-yl oxide,"10,10'-oxybis(10H-phenoxarsine)",O([As]1c2ccccc2Oc3ccccc13)[As]4c5ccccc5Oc6ccccc46,O([As]1c2ccccc2Oc3ccccc13)[As]4c5ccccc5Oc6ccccc46,InChI=1/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H,C24H16As2O3,,,,,,VCRZAKVGPJFABU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.345,200-379-4,58-38-8,Prochlorperazine,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3",C20H24ClN3S,,,,,,WIKYUJGCLQQFNW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.349,200-384-1,58-54-8,Etacrynic acid,"[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid",CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,"InChI=1/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)",C13H12Cl2O4,,,,,,AVOLMBLBETYQHX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.352,200-387-8,58-58-2,"(S)-3'-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-dimethyladenosine dihydrochloride","3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine dihydrochloride",Cl.Cl.COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n3cnc4c(ncnc34)N(C)C)cc1,Cl.Cl.COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n3cnc4c(ncnc34)N(C)C)cc1,"InChI=1/C22H29N7O5.2ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);2*1H",C22H29N7O5.2ClH,,,,,,MKSVFGKWZLUTTO-FZFAUISWSA-N,,,,,,,,,,,
100.000.356,200-392-5,58-64-0,Adenosine 5'-(trihydrogen diphosphate),adenosine 5'-(trihydrogen diphosphate),Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O,Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O,"InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)",C10H15N5O10P2,,,,,,XTWYTFMLZFPYCI-KQYNXXCUSA-N,,,,,,,,,,,
100.000.365,200-401-2,58-89-9,<U+03B3>-HCH or <U+03B3>-BHC,"1,2,3,4,5,6-hexachlorocyclohexane",Cl[C@@H]1[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl,Cl[C@@H]1[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl,InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,C6H6Cl6,,,,,,JLYXXMFPNIAWKQ-GNIYUCBRSA-N,,,,,,,,,,,
100.000.366,200-402-8,58-90-2,"2,3,4,6-tetrachlorophenol","2,3,4,6-tetrachlorophenol",Oc1c(Cl)cc(Cl)c(Cl)c1Cl,Oc1c(Cl)cc(Cl)c(Cl)c1Cl,"InChI=1/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H",C6H2Cl4O,,,,,,VGVRPFIJEJYOFN-UHFFFAOYSA-N,Negative,,,,,,EQ357551|EQ357552|EQ357553|EQ357554|EQ357555|EQ357556,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,228.8787|228.8787:192.9024|228.8788:192.9021|228.8789:192.9021:164.9072|228.8789:192.9021:164.9071|192.9023:228.8788:164.9069,Eawag
100.002.244,202-467-8,95-95-4,"2,4,5-trichlorophenol","2,4,5-trichlorophenol",Oc1cc(Cl)c(Cl)cc1Cl,Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",C6H3Cl3O,,,,,,LHJGJYXLEPZJPM-UHFFFAOYSA-N,Negative,,,,,,SM816651,[M-H]-,HCD35,194.9177:158.941:122.964,CASMI_2016
100.002.248,202-472-5,96-04-8,"Heptane-2,3-dione","heptane-2,3-dione",CCCCC(=O)C(=O)C,CCCCC(=O)C(=O)C,"InChI=1/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3",C7H12O2,,,,,,FJPGAMCQJNLTJC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.359,202-593-3,97-60-9,N-(2-hydroxy-5-nitrophenyl)acetamide,N-(2-hydroxy-5-nitrophenyl)acetamide,CC(=O)Nc1cc(ccc1O)[N+](=O)[O-],CC(=O)Nc1cc(ccc1O)[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-5(11)9-7-4-6(10(13)14)2-3-8(7)12/h2-4,12H,1H3,(H,9,11)",C8H8N2O4,,,,,,GFHYFPARONGSCD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.364,202-599-6,97-65-4,Itaconic acid,2-methylenesuccinic acid,OC(=O)CC(=C)C(=O)O,OC(=O)CC(=C)C(=O)O,"InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)",C5H6O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14392,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.364,LVHBHZANLOWSRM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.367,202-603-6,97-72-3,Isobutyric anhydride,2-methylpropanoic anhydride,CC(C)C(=O)OC(=O)C(C)C,CC(C)C(=O)OC(=O)C(C)C,"InChI=1/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3",C8H14O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13208,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.367,LSACYLWPPQLVSM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.373,202-609-9,97-80-3,(Z)-2-(methyloleylamino)ethanesulphonic acid,2-[methyl(octadec-9-en-1-yl)amino]ethanesulfonic acid,CCCCCCCC\\C=C/CCCCCCCCN(C)CCS(=O)(=O)O,CCCCCCCC\C=C/CCCCCCCCN(C)CCS(=O)(=O)O,"InChI=1/C21H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25/h10-11H,3-9,12-21H2,1-2H3,(H,23,24,25)",C21H41NO4S,,,,,,JACPTQMMZGZAOL-KHPPLWFESA-N,,,,,,,,,,,
100.002.374,202-610-4,97-84-7,"N,N,N',N',1-pentamethyltrimethylenediamine","N,N,N',N'-tetramethylbutane-1,3-diamine",CC(CCN(C)C)N(C)C,CC(CCN(C)C)N(C)C,"InChI=1/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3",C8H20N2,,,,,,AXFVIWBTKYFOCY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.375,202-612-5,97-85-8,Isobutyl isobutyrate,isobutyl 2-methylpropanoate,CC(C)COC(=O)C(C)C,CC(C)COC(=O)C(C)C,"InChI=1/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3",C8H16O2,,,,,,RXGUIWHIADMCFC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.379,202-616-7,97-89-2,"3,7-dimethyloct-6-enyl isobutyrate","3,7-dimethyloct-6-en-1-yl 2-methylpropanoate",CC(CCOC(=O)C(C)C)CCC=C(C)C,CC(CCOC(=O)C(C)C)CCC=C(C)C,"InChI=1/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3",C14H26O2,,,,,,ZGPPERKMXSGYRK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.385,202-623-5,97-96-1,2-ethylbutyraldehyde,2-ethylbutanal,CCC(CC)C=O,CCC(CC)C=O,"InChI=1/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3",C6H12O,,,,,,UNNGUFMVYQJGTD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.390,202-628-2,98-02-2,2-furylmethanethiol,2-furylmethanethiol,SCc1occc1,SCc1occc1,"InChI=1/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2",C5H6OS,,,,,,ZFFTZDQKIXPDAF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.391,202-629-8,98-03-3,Thiophene-2-carbaldehyde,thiophene-2-carbaldehyde,O=Cc1cccs1,O=Cc1cccs1,InChI=1/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H,C5H4OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18661,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.391,CNUDBTRUORMMPA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.395,202-634-5,98-07-7,"a,a,a-trichlorotoluene",(trichloromethyl)benzene,ClC(Cl)(Cl)c1ccccc1,ClC(Cl)(Cl)c1ccccc1,"InChI=1/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H",C7H5Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2060,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.395,XEMRAKSQROQPBR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.396,202-635-0,98-08-8,"a,a,a-trifluorotoluene",(trifluoromethyl)benzene,FC(F)(F)c1ccccc1,FC(F)(F)c1ccccc1,"InChI=1/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H",C7H5F3,,,,,,GETTZEONDQJALK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.397,202-636-6,98-09-9,Benzenesulphonyl chloride,benzenesulfonyl chloride,ClS(=O)(=O)c1ccccc1,ClS(=O)(=O)c1ccccc1,"InChI=1/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",C6H5ClO2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13859,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.397,CSKNSYBAZOQPLR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.398,202-637-1,98-10-2,Benzenesulphonamide,benzenesulfonamide,NS(=O)(=O)c1ccccc1,NS(=O)(=O)c1ccccc1,"InChI=1/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",C6H7NO2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7554,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.398,KHBQMWCZKVMBLN-UHFFFAOYSA-N,Positive/Negative,EQ359501|EQ359502|EQ359503|EQ359504|EQ359505|EQ359506|EQ359507|EQ359508|EQ359509,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,141.0003:95.049:105.0446|141.0003:95.049:105.0446|95.049:105.0446:77.0384|95.0491:105.0447:77.0384|95.0491:105.0447:77.0385|95.049:105.0446:77.0384|95.0491:77.0385:105.0447|51.0229:50.0151:77.0385|51.0229:50.0151:77.0385,Eawag,EQ359551|EQ359552|EQ359553|EQ359554|EQ359555|EQ359556|EQ359557|EQ359558|EQ359559,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,156.0126:92.0506:156.9965|156.0126:92.0506:156.9964|156.0126:92.0506:79.9812|92.0506:156.0126:79.9812|92.0506:78.9734:79.9812|92.0506:78.9733:61.9706|61.9706:63.9624:78.9733|63.9625:61.9706:78.9734|63.9625:61.9706:78.9733,Eawag
100.002.401,202-640-8,98-13-5,Trichloro(phenyl)silane,trichloro(phenyl)silane,Cl[Si](Cl)(Cl)c1ccccc1,Cl[Si](Cl)(Cl)c1ccccc1,"InChI=1/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",C6H5Cl3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14161,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.401,ORVMIVQULIKXCP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.402,202-641-3,98-14-6,4-hydroxyphenylarsonic acid,(4-hydroxyphenyl)arsonic acid,Oc1ccc(cc1)[As](=O)(O)O,Oc1ccc(cc1)[As](=O)(O)O,"InChI=1/C6H7AsO4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8H,(H2,9,10,11)",C6H7AsO4,,,,,,RSRFURJMCNJVOW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.404,202-643-4,98-16-8,"a,a,a-trifluoro-m-toluidine",3-(trifluoromethyl)aniline,Nc1cccc(c1)C(F)(F)F,Nc1cccc(c1)C(F)(F)F,"InChI=1/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2",C7H6F3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13933,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.404,VIUDTWATMPPKEL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.405,202-645-5,98-17-9,"a,a,a-trifluoro-m-cresol",3-(trifluoromethyl)phenol,Oc1cccc(c1)C(F)(F)F,Oc1cccc(c1)C(F)(F)F,"InChI=1/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H",C7H5F3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5566,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.405,UGEJOEBBMPOJMT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.258,202-483-5,96-15-1,2-methylbutylamine,2-methylbutan-1-amine,CCC(C)CN,CCC(C)CN,"InChI=1/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3",C5H13N,,,,,,VJROPLWGFCORRM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.004,200-003-9,50-02-2,Dexamethasone,"9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3",C22H29FO5,,,,,,UREBDLICKHMUKA-CXSFZGCWSA-N,Positive,SM872801;SM874301,[M+H]+;[M+H]+,HCD35;HCD35,355.1905:373.2013:147.0805;355.1905:373.2013:147.0805,CASMI_2016;CASMI_2016,,,,,
100.000.006,200-006-5,50-04-4,Cortisone 21-acetate,"17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3",C23H30O6,,,,,,ITRJWOMZKQRYTA-RFZYENFJSA-N,,,,,,,,,,,
100.000.011,200-011-2,50-11-3,Metharbital,"5,5-diethyl-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(CC)C(=O)NC(=O)N(C)C1=O,CCC1(CC)C(=O)NC(=O)N(C)C1=O,"InChI=1/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)",C9H14N2O3,,,,,,FWJKNZONDWOGMI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.016,200-017-5,50-19-1,Oxyfenamate,2-hydroxy-2-phenylbutyl carbamate,CCC(O)(COC(=O)N)c1ccccc1,CCC(O)(COC(=O)N)c1ccccc1,"InChI=1/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)",C11H15NO3,,,,,,WAFIYOULDIWAKR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.017,200-018-0,50-21-5,Lactic acid,2-hydroxypropanoic acid,CC(O)C(=O)O,CC(O)C(=O)O,"InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)",C3H6O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5165,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.017,JVTAAEKCZFNVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.020,200-021-7,50-24-8,Prednisolone,"11,17,21-trihydroxypregna-1,4-diene-3,20-dione",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3",C21H28O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14158,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.020,OIGNJSKKLXVSLS-VWUMJDOOSA-N,Positive,EA278301|EA278302|EA278303|EA278304|EA278305|EA278306|EA278307|EA278308|EA278309|EA278310|EA278311|EA278312|EA278313|EA278314;UF415701|UF415702|UF415703|UF415704,[M+H]+;[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,343.19:325.1795:307.1689|343.1902:325.179:307.1694|147.0804:343.1896:289.1581|147.0802:171.0806:173.0955|147.0805:121.0648:171.08|147.0802:121.0645:171.0808|121.0645|343.1899:325.18:307.1695|147.0804:343.1897:173.0956|147.0806:173.0959:171.08|171.0802:147.0806|147.0804:121.0648:119.0857|121.0648|343.1901:325.1795:307.1689;163.1116:121.0646:145.101|105.0696:121.0645:163.1114|343.1899:163.1115:325.1795|163.1115:343.1898:325.1794,Eawag;UFZ,,,,,
100.000.023,200-024-3,50-29-3,Clofenotane,"1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-chlorobenzene)",Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,"InChI=1/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",C14H9Cl5,,,,,,YVGGHNCTFXOJCH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.025,200-026-4,50-31-7,"2,3,6-TBA","2,3,6-trichlorobenzoic acid",OC(=O)c1c(Cl)ccc(Cl)c1Cl,OC(=O)c1c(Cl)ccc(Cl)c1Cl,"InChI=1/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)",C7H3Cl3O2,,,,,,XZIDTOHMJBOSOX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.031,200-033-2,50-37-3,Lysergide,"N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide",CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,"InChI=1/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3",C20H25N3O,,,,,,VAYOSLLFUXYJDT-RDTXWAMCSA-N,,,,,,,,,,,
100.000.034,200-036-9,50-42-0,Adiphenine hydrochloride,2-(diethylamino)ethyl diphenylacetate hydrochloride,Cl.CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2,Cl.CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H",C20H25NO2.ClH,,,,,,LKPINBXAWIMZCG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.042,200-045-8,50-53-3,Chlorpromazine,"3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,"InChI=1/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",C17H19ClN2S,,,,,,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,Positive,AU112102|AU112103|AU112104|AU112105,[M+H]+,CID20|CID30|CID40|CID50,319.0999:320.1022:246.0075|246.014:239.0766:248.0111|214.0418:246.014:239.0764|214.0416:211.0448:216.0392,Athens_Univ,,,,,
100.000.044,200-047-9,50-55-5,Reserpine,"methyl 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate",CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,"InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3",C33H40N2O9,,,,,,QEVHRUUCFGRFIF-MDEJGZGSSA-N,Positive,EA268201|EA268202|EA268203|EA268204|EA268205|EA268206|EA268207|EA268208|EA268209|EA268210|EA268211|EA268212|EA268213|EA268214,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,448.1966:397.2121:577.2543|609.2807:448.2089:397.2255|195.0652:397.2118:609.2802|195.0653:174.0915:236.1281|174.0913:195.0651:159.0678|174.0913:159.0678:131.073|131.0729:159.0677:143.0729|609.2808:397.2131:608.2699|195.0651:397.2119:609.2801|195.0651:174.0913:236.1281|174.0913:195.0652:159.0678|174.0912:159.0678:131.0729|131.0729:159.0678:143.0729|448.1962:397.212:577.2542,Eawag,,,,,
100.000.049,200-053-1,50-60-2,Phentolamine,"3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol",Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3,Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3,"InChI=1/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)",C17H19N3O,,,,,,MRBDMNSDAVCSSF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.055,200-059-4,50-69-1,D-ribose,D-ribose,OC[C@@H](O)[C@@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-LMVFSUKVSA-N,,,,,,,,,,,
100.002.894,203-183-7,104-19-8,"N,N,4-trimethylpiperazine-1-ethylamine","N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine",CN(C)CCN1CCN(C)CC1,CN(C)CCN1CCN(C)CC1,"InChI=1/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3",C9H21N3,,,,,,XFLSMWXCZBIXLV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.903,203-193-1,104-30-3,p-nitrophenethyl acetate,2-(4-nitrophenyl)ethyl acetate,CC(=O)OCCc1ccc(cc1)[N+](=O)[O-],CC(=O)OCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H11NO4/c1-8(12)15-7-6-9-2-4-10(5-3-9)11(13)14/h2-5H,6-7H2,1H3",C10H11NO4,,,,,,PZCUSZBIRGTJPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.907,203-197-3,104-38-1,"2,2'-p-phenylenedioxydiethanol","2,2'-[1,4-phenylenebis(oxy)]diethanol",OCCOc1ccc(OCCO)cc1,OCCOc1ccc(OCCO)cc1,"InChI=1/C10H14O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4,11-12H,5-8H2",C10H14O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5870,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.907,WTPYFJNYAMXZJG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.911,203-201-3,104-42-7,4-dodecylaniline,4-dodecylaniline,CCCCCCCCCCCCc1ccc(N)cc1,CCCCCCCCCCCCc1ccc(N)cc1,"InChI=1/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3",C18H31N,,,,,,KLPPPIIIEMUEGP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.919,203-210-2,104-52-9,(3-chloropropyl)benzene,(3-chloropropyl)benzene,ClCCCc1ccccc1,ClCCCc1ccccc1,"InChI=1/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C9H11Cl,,,,,,XZBXAYCCBFTQHH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.921,203-212-3,104-54-1,Cinnamyl alcohol,3-phenylprop-2-en-1-ol,OC\\C=C\\c1ccccc1,OC\C=C\c1ccccc1,"InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2",C9H10O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12023,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.921,OOCCDEMITAIZTP-QPJJXVBHSA-N,,,,,,,,,,,
100.002.927,203-219-1,104-61-0,Nonan-4-olide,5-pentyldihydrofuran-2(3H)-one,CCCCCC1CCC(=O)O1,CCCCCC1CCC(=O)O1,"InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3",C9H16O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5796,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.927,OALYTRUKMRCXNH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.932,203-224-9,104-66-5,"1,2-diphenoxyethane","1,1'-[ethane-1,2-diylbis(oxy)]dibenzene",C(COc1ccccc1)Oc2ccccc2,C(COc1ccccc1)Oc2ccccc2,"InChI=1/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12416,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.932,XCSGHNKDXGYELG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.933,203-225-4,104-67-6,Undecan-4-olide,5-heptyldihydrofuran-2(3H)-one,CCCCCCCC1CCC(=O)O1,CCCCCCCC1CCC(=O)O1,"InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3",C11H20O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14215,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.933,PHXATPHONSXBIL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.938,203-231-7,104-73-4,1-dodecylpyridinium bromide,1-dodecylpyridinium bromide,[Br-].CCCCCCCCCCCC[n+]1ccccc1,[Br-].CCCCCCCCCCCC[n+]1ccccc1,"InChI=1/C17H30N.BrH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1",C17H30N.Br,,,,,,PNXWPUCNFMVBBK-UHFFFAOYSA-M,,,,,,,,,,,
100.002.940,203-233-8,104-75-6,2-ethylhexylamine,2-ethylhexan-1-amine,CCCCC(CC)CN,CCCCC(CC)CN,"InChI=1/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3",C8H19N,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1994,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.940,LTHNHFOGQMKPOV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.946,203-240-6,104-81-4,a-bromo-p-xylene,1-(bromomethyl)-4-methylbenzene,Cc1ccc(CBr)cc1,Cc1ccc(CBr)cc1,"InChI=1/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3",C8H9Br,,,,,,WZRKSPFYXUXINF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.950,203-244-8,104-85-8,p-toluonitrile,4-methylbenzonitrile,Cc1ccc(cc1)C#N,Cc1ccc(cc1)C#N,"InChI=1/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3",C8H7N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16371,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.950,VCZNNAKNUVJVGX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.953,203-247-4,104-88-1,4-chlorobenzaldehyde,4-chlorobenzaldehyde,Clc1ccc(C=O)cc1,Clc1ccc(C=O)cc1,InChI=1/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H,C7H5ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8298,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.953,AVPYQKSLYISFPO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.958,203-253-7,104-93-8,4-methylanisole,1-methoxy-4-methylbenzene,COc1ccc(C)cc1,COc1ccc(C)cc1,"InChI=1/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",C8H10O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16243,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.958,CHLICZRVGGXEOD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.962,203-257-9,104-97-2,3-cyclopentylpropionyl chloride,3-cyclopentylpropanoyl chloride,ClC(=O)CCC1CCCC1,ClC(=O)CCC1CCCC1,"InChI=1/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2",C8H13ClO,,,,,,SZQVEGOXJYTLLB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.963,203-258-4,104-98-3,3-imidazol-4-ylacrylic acid,3-(1H-imidazol-4-yl)acrylic acid,OC(=O)\\C=C\\c1c[nH]cn1,OC(=O)\C=C\c1c[nH]cn1,"InChI=1/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)",C6H6N2O2,,,,,,LOIYMIARKYCTBW-OWOJBTEDSA-N,,,,,,,,,,,
100.002.966,203-262-6,105-02-2,Bis(tetrahydrofurfuryl) adipate,bis(tetrahydrofuran-2-ylmethyl) adipate,O=C(CCCCC(=O)OCC1CCCO1)OCC2CCCO2,O=C(CCCCC(=O)OCC1CCCO1)OCC2CCCO2,"InChI=1/C16H26O6/c17-15(21-11-13-5-3-9-19-13)7-1-2-8-16(18)22-12-14-6-4-10-20-14/h13-14H,1-12H2",C16H26O6,,,,,,DMNQTEVDCGAATA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.969,203-265-2,105-05-5,"1,4-diethylbenzene","1,4-diethylbenzene",CCc1ccc(CC)cc1,CCc1ccc(CC)cc1,"InChI=1/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3",C10H14,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12050,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.969,DSNHSQKRULAAEI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.970,203-266-8,105-06-6,"1,4-divinylbenzene","1,4-divinylbenzene",C=Cc1ccc(C=C)cc1,C=Cc1ccc(C=C)cc1,"InChI=1/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h3-8H,1-2H2",C10H10,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17357,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.970,WEERVPDNCOGWJF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.369,200-405-4,58-95-7,a-tocopheryl acetate,"2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,"InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3",C31H52O3,,,,,,ZAKOWWREFLAJOT-CEFNRUSXSA-N,,,,,,,,,,,
100.000.373,200-410-1,59-00-7,"4,8-dihydroxyquinoline-2-carboxylic acid","4,8-dihydroxyquinoline-2-carboxylic acid",OC(=O)c1cc(O)c2cccc(O)c2n1,OC(=O)c1cc(O)c2cccc(O)c2n1,"InChI=1/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)",C10H7NO4,,,,,,FBZONXHGGPHHIY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.378,200-415-9,59-14-3,Broxuridine,5-bromo-2'-deoxyuridine,OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(Br)C(=O)NC2=O,OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(Br)C(=O)NC2=O,"InChI=1/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)",C9H11BrN2O5,,,,,,WOVKYSAHUYNSMH-RRKCRQDMSA-N,,,,,,,,,,,
100.000.380,200-418-5,59-26-7,Nikethamide,"N,N-diethylnicotinamide",CCN(CC)C(=O)c1cccnc1,CCN(CC)C(=O)c1cccnc1,"InChI=1/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3",C10H14N2O,,,,,,NCYVXEGFNDZQCU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.383,200-421-1,59-32-5,Chloropyramine,"N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine",CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2,CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2,"InChI=1/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3",C16H20ClN3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17912,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.383,ICKFFNBDFNZJSX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.385,200-423-2,59-40-5,Sulfaquinoxaline,4-amino-N-quinoxalin-2-ylbenzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2,Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2,"InChI=1/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)",C14H12N4O2S,,,,,,NHZLNPMOSADWGC-UHFFFAOYSA-N,Positive/Negative,mzcloud:1696,[M+H]+;[M+Na]+,HCD_Averaged,53.03860:65.0386:68.04948:80.04947:92.0495:108.0444:110.0600:118.0525:129.04472:146.07128:156.01136:235.09786:226.0277:208.0176,HighChem,mzcloud:1696,[M-H]-,HCD_Averaged,63.96244:77.96552:117.0458:142.04108:144.05673:208.08801:233.0833:235.0989,HighChem
100.000.387,200-425-3,59-43-8,Thiamine,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride",[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,"InChI=1/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1",C12H17N4OS.Cl,,,,,,MYVIATVLJGTBFV-UHFFFAOYSA-M,,,,,,,,,,,
100.000.390,200-429-5,59-48-3,"2,3-dihydroindol-2-one","1,3-dihydro-2H-indol-2-one",O=C1Cc2ccccc2N1,O=C1Cc2ccccc2N1,"InChI=1/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)",C8H7NO,,,,,,JYGFTBXVXVMTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.396,200-435-8,59-56-3,Glucose 1-(dihydrogen phosphate),1-O-phosphonohexopyranose,OCC1OC(OP(=O)(O)O)C(O)C(O)C1O,OCC1OC(OP(=O)(O)O)C(O)C(O)C1O,"InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)",C6H13O9P,,,,,,HXXFSFRBOHSIMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.400,200-440-5,59-66-5,Acetazolamide,"N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide",CC(=O)Nc1nnc(s1)S(=O)(=O)N,CC(=O)Nc1nnc(s1)S(=O)(=O)N,"InChI=1/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",C4H6N4O3S2,,,,,,BZKPWHYZMXOIDC-UHFFFAOYSA-N,Positive/Negative,EQ301101|EQ301102|EQ301103|EQ301104|EQ301105|EQ301106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,222.9954:180.9848:181.9687|180.9847:222.9954:181.9685|180.9849:181.9686:72.9854|181.9688:180.985:72.9855|181.9688:72.9855:180.9849|72.9855:181.9688:58.9824,Eawag,EQ301151|EQ301152|EQ301153|EQ301154|EQ301155|EQ301156,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,220.9809:83.0251:57.9757|83.0251:57.9757:220.9809|83.0251:57.9757:79.9812|83.0251:57.9757:79.9812|83.0251:57.9757:79.9812|83.0251:57.9757:61.9706,Eawag
100.000.404,200-444-7,59-88-1,Phenylhydrazinium chloride,phenyldiazanium chloride,[Cl-].N[NH2+]c1ccccc1,[Cl-].N[NH2+]c1ccccc1,"InChI=1/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H",C6H8N2.ClH,,,,,,JOVOSQBPPZZESK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.407,200-447-3,59-97-2,Tolazoline hydrochloride,"2-benzyl-4,5-dihydro-1H-imidazole hydrochloride",Cl.C(C1=NCCN1)c2ccccc2,Cl.C(C1=NCCN1)c2ccccc2,"InChI=1/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H",C10H12N2.ClH,,,,,,RHTNTTODYGNRSP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.413,200-454-1,60-10-6,"1,5-diphenyl-3-thiocarbazone","N,2-diphenyldiazenecarbohydrazonothioic acid",SC(=NNc1ccccc1)N=Nc2ccccc2,SC(=NNc1ccccc1)N=Nc2ccccc2,"InChI=1/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)",C13H12N4S,,,,,,UOFGSWVZMUXXIY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.419,200-460-4,60-18-4,Tyrosine,tyrosine,NC(Cc1ccc(O)cc1)C(=O)O,NC(Cc1ccc(O)cc1)C(=O)O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",C9H11NO3,,,,,,OUYCCCASQSFEME-UHFFFAOYSA-N,,,,,,,,,,,
100.000.420,200-462-5,60-19-5,4-hydroxyphenethylammonium chloride,2-(4-hydroxyphenyl)ethanaminium chloride,[Cl-].[NH3+]CCc1ccc(O)cc1,[Cl-].[NH3+]CCc1ccc(O)cc1,"InChI=1/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H",C8H11NO.ClH,,,,,,RNISDHSYKZAWOK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.434,200-477-7,60-41-3,Strychnine sulphate,strychnidin-10-one sulfate,OS(=O)(=O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,OS(=O)(=O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2.H2O4S/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h1-5,13,16-17,19-20H,6-11H2;(H2,1,2,3,4)",C21H22N2O2.1/2H2O4S,,,,,,SQZRGLKZOYHTRV-ZEYGOCRCSA-N,,,,,,,,,,,
100.002.262,202-487-7,96-19-5,"1,2,3-trichloropropene","1,2,3-trichloroprop-1-ene",ClCC(Cl)=CCl,ClCC(Cl)=CCl,"InChI=1/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2",C3H3Cl3,,,,,,HIILBTHBHCLUER-UHFFFAOYSA-N,,,,,,,,,,,
100.002.270,202-496-6,96-29-7,Butanone oxime,butan-2-one oxime,CC(CC)=NO,CC(CC)=NO,"InChI=1/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3",C4H9NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14908,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.270,WHIVNJATOVLWBW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.275,202-501-1,96-34-4,Methyl chloroacetate,methyl chloroacetate,COC(=O)CCl,COC(=O)CCl,"InChI=1/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3",C3H5ClO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13502,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.275,QABLOFMHHSOFRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.276,202-502-7,96-35-5,Methyl hydroxyacetate,methyl glycolate,COC(=O)CO,COC(=O)CO,"InChI=1/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3",C3H6O3,,,,,,GSJFXBNYJCXDGI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.280,202-506-9,96-45-7,Imidazolidine-2-thione,imidazolidine-2-thione,S=C1NCCN1,S=C1NCCN1,"InChI=1/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)",C3H6N2S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13536,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.280,PDQAZBWRQCGBEV-UHFFFAOYSA-N,Positive,SM870403;EQ027101|EQ027102|EQ027103|EQ027104|EQ027105|EQ027106|EQ027107|EQ027108|EQ027109,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,103.0324:60.0558:86.0059;103.0324:86.0059:76.0215|103.0324:86.0059:76.0215|103.0324:86.0059:76.0215|103.0324:86.0059:76.0215|103.0324:86.0059:59.9902|103.0324:86.0059:59.9903|103.0325:86.0059:59.9903|59.9902:86.0059:58.995|59.9903:58.995:86.0059,CASMI_2016;Eawag,,,,,
100.002.285,202-512-1,96-53-7,Thiazolidine-2-thione,"1,3-thiazolidine-2-thione",S=C1NCCS1,S=C1NCCS1,"InChI=1/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",C3H5NS2,,,,,,WGJCBBASTRWVJL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.290,202-517-9,96-58-2,4-hydroxy-N-methyl-3-nitrobenzenesulphonamide,4-hydroxy-N-methyl-3-nitrobenzenesulfonamide,CNS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],CNS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C7H8N2O5S/c1-8-15(13,14)5-2-3-7(10)6(4-5)9(11)12/h2-4,8,10H,1H3",C7H8N2O5S,,,,,,ORCOFVZAETWNGU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.291,202-518-4,96-59-3,4-chloro-N-isopropyl-3-nitrobenzenesulphonamide,4-chloro-N-isopropyl-3-nitrobenzenesulfonamide,CC(C)NS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],CC(C)NS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C9H11ClN2O4S/c1-6(2)11-17(15,16)7-3-4-8(10)9(5-7)12(13)14/h3-6,11H,1-2H3",C9H11ClN2O4S,,,,,,KFKCKBPFUJOIQG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.296,202-524-7,96-68-4,5-hydroxy-p-cymene-2-sulphonic acid,4-hydroxy-5-isopropyl-2-methylbenzenesulfonic acid,CC(C)c1cc(c(C)cc1O)S(=O)(=O)O,CC(C)c1cc(c(C)cc1O)S(=O)(=O)O,"InChI=1/C10H14O4S/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11/h4-6,11H,1-3H3,(H,12,13,14)",C10H14O4S,,,,,,LYWNNXMNOSKLHY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.298,202-526-8,96-70-8,2-tert-butyl-4-ethylphenol,2-tert-butyl-4-ethylphenol,CCc1ccc(O)c(c1)C(C)(C)C,CCc1ccc(O)c(c1)C(C)(C)C,"InChI=1/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3",C12H18O,,,,,,LZHCVNIARUXHAL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.300,202-528-9,96-73-1,2-chloro-5-nitrobenzenesulphonic acid,2-chloro-5-nitrobenzenesulfonic acid,OS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-],OS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C6H4ClNO5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,(H,11,12,13)",C6H4ClNO5S,,,,,,GNTARUIZNIWBCN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.304,202-533-6,96-77-5,"4-hydroxybenzene-1,3-disulphonic acid","4-hydroxybenzene-1,3-disulfonic acid",Oc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O,Oc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C6H6O7S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3,7H,(H,8,9,10)(H,11,12,13)",C6H6O7S2,,,,,,JXBUOZMYKQDZFY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.310,202-539-9,96-83-3,Iopanoic acid,"2-(3-amino-2,4,6-triiodobenzyl)butanoic acid",CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,"InChI=1/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)",C11H12I3NO2,,,,,,OIRFJRBSRORBCM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.311,202-540-4,96-86-6,Diethyl benzamidomalonate,diethyl (benzoylamino)malonate,CCOC(=O)C(NC(=O)c1ccccc1)C(=O)OCC,CCOC(=O)C(NC(=O)c1ccccc1)C(=O)OCC,"InChI=1/C14H17NO5/c1-3-19-13(17)11(14(18)20-4-2)15-12(16)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,15,16)",C14H17NO5,,,,,,NMSZTQWZINJIMY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.318,202-548-8,96-97-9,5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,OC(=O)c1cc(ccc1O)[N+](=O)[O-],OC(=O)c1cc(ccc1O)[N+](=O)[O-],"InChI=1/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)",C7H5NO5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10540,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.318,PPDRLQLKHRZIJC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.320,202-550-9,96-99-1,4-chloro-3-nitrobenzoic acid,4-chloro-3-nitrobenzoic acid,OC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],OC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)",C7H4ClNO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5840,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.320,DFXQXFGFOLXAPO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.321,202-551-4,97-00-7,"1-chloro-2,4-dinitrobenzene","1-chloro-2,4-dinitrobenzene",[O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-],InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,C6H3ClN2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10503,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.321,VYZAHLCBVHPDDF-UHFFFAOYSA-N,Negative,,,,,,UA004105,[M]-,CID35,171.9805:155.9856,UFZ_Additional_Specs
100.000.059,200-064-1,50-78-2,O-acetylsalicylic acid,2-acetoxybenzoic acid,O=C(C)Oc1ccccc1C(O)=O,O=C(C)Oc1ccccc1C(O)=O,"InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",C9H8O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10841,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.059,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,Positive/Negative,EQ357801|EQ357802|EQ357803|EQ357804|EQ357805|EQ357806|EQ357807|EQ357808|EQ357809,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,149.0231:163.0386:181.0493|149.0231:163.0386:181.0493|149.0231:163.0386:121.0282|149.0231:163.0386:121.0282|149.0231:121.0282:65.0384|65.0384:121.0282:95.049|65.0385:92.0255:95.049|65.0385:92.0255:63.0228|63.0228:51.0229:65.0385,Eawag,EQ357851|EQ357852|EQ357853|EQ357854|EQ357855|EQ357856|EQ357857|EQ357858|EQ357859,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,137.0243:93.0345:59.0138|137.0243:93.0345:59.0138|137.0244:93.0345:59.0138|93.0345:59.0138:137.0244|93.0345:59.0138:137.0243|93.0345:59.0138:65.0397|93.0346:59.0138:65.0397|93.0346:65.0397:59.0138|65.0397:93.0345:59.0138,Eawag
100.000.062,200-067-8,50-84-0,"2,4-dichlorobenzoic acid","2,4-dichlorobenzoic acid",OC(=O)c1ccc(Cl)cc1Cl,OC(=O)c1ccc(Cl)cc1Cl,"InChI=1/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)",C7H4Cl2O2,,,,,,ATCRIUVQKHMXSH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.063,200-068-3,50-85-1,2-hydroxy-p-toluic acid,2-hydroxy-4-methylbenzoic acid,Cc1ccc(C(=O)O)c(O)c1,Cc1ccc(C(=O)O)c(O)c1,"InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)",C8H8O3,,,,,,NJESAXZANHETJV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.066,200-072-5,50-91-9,Floxuridine,2'-deoxy-5-fluorouridine,OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(F)C(=O)NC2=O,OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(F)C(=O)NC2=O,"InChI=1/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)",C9H11FN2O5,,,,,,ODKNJVUHOIMIIZ-RRKCRQDMSA-N,,,,,,,,,,,
100.000.067,200-073-0,50-97-5,a-phenyl-1H-benzimidazole-2-methanol,1H-benzimidazol-2-yl(phenyl)methanol,OC(c1ccccc1)c2nc3ccccc3[nH]2,OC(c1ccccc1)c2nc3ccccc3[nH]2,"InChI=1/C14H12N2O/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14/h1-9,13,17H,(H,15,16)",C14H12N2O,,,,,,JEAWPIKEEQZLJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.075,200-081-4,51-17-2,Benzimidazole,1H-benzimidazole,c1ccc2[nH]cnc2c1,c1ccc2[nH]cnc2c1,"InChI=1/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)",C7H6N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17477,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.075,HYZJCKYKOHLVJF-UHFFFAOYSA-N,Positive,SM812005,[M+H]+,HCD35,119.0603:59.0493:92.0494,CASMI_2016,,,,,
100.000.080,200-087-7,51-28-5,"2,4-dinitrophenol","2,4-dinitrophenol",Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H",C6H4N2O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10875,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.080,UFBJCMHMOXMLKC-UHFFFAOYSA-N,Negative,,,,,,SM882351,[M-H]-,HCD35,183.0048:153.0068:123.0083,CASMI_2016
100.000.089,200-097-1,51-42-3,Epinephrine hydrogen tartrate,"4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol 2,3-dihydroxysuccinate (salt)",CNC[C@H](O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O,CNC[C@H](O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C9H13NO3.C4H6O6/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-1(3(7)8)2(6)4(9)10/h2-4,9-13H,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C9H13NO3.C4H6O6,,,,,,YLXIPWWIOISBDD-FVGYRXGTSA-N,,,,,,,,,,,
100.000.090,200-098-7,51-43-4,Epinephrine,"4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol",CNC[C@H](O)c1ccc(O)c(O)c1,CNC[C@H](O)c1ccc(O)c(O)c1,"InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3",C9H13NO3,,,,,,UCTWMZQNUQWSLP-VIFPVBQESA-N,Positive/Negative,EQ332501|EQ332502|EQ332503|EQ332504|EQ332505|EQ332506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,166.0864:135.044:148.0757|166.0864:135.0441:107.0492|166.0864:107.0492:135.0441|107.0492:151.0629:166.0864|107.0492:151.0628:123.0441|107.0492:123.0441:79.0543,Eawag,EQ332551|EQ332552|EQ332553|EQ332554|EQ332555|EQ332556,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,164.0717:182.0823:122.0374|164.0717:122.0374:182.0823|164.0717:122.0374:149.0481|122.0374:149.0481:164.0718|122.0374:149.0481:148.0405|122.0374:148.0404:149.0481,Eawag
100.000.092,200-100-6,51-45-6,2-imidazol-4-ylethylamine,2-(1H-imidazol-4-yl)ethanamine,NCCc1c[nH]cn1,NCCc1c[nH]cn1,"InChI=1/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",C5H9N3,,,,,,NTYJJOPFIAHURM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.096,200-104-8,51-55-8,Atropine,8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate,CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(CO)c2ccccc2,CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(CO)c2ccccc2,"InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",C17H23NO3,,,,,,RKUNBYITZUJHSG-SPUOUPEWSA-N,,,,,,,,,,,
100.000.097,200-105-3,51-56-9,Homatropine hydrobromide,8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate hydrobromide,Br.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,Br.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,"InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H",C16H21NO3.BrH,,,,,,DWSGTFTVBLXELC-RDYJJYPNSA-N,,,,,,,,,,,
100.000.102,200-111-6,51-63-8,Dexamphetamine sulphate,1-phenylpropan-2-amine sulfate,C[C@H](N)Cc1ccccc1.OS(=O)(=O)O,C[C@H](N)Cc1ccccc1.OS(=O)(=O)O,"InChI=1/C9H13N.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H2,1,2,3,4)",C9H13N.1/2H2O4S,,,,,,SOFQDLYSFOWTJX-QRPNPIFTSA-N,,,,,,,,,,,
100.000.110,200-120-5,51-75-2,Chlormethine,2-chloro-N-(2-chloroethyl)-N-methylethanamine,CN(CCCl)CCCl,CN(CCCl)CCCl,"InChI=1/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3",C5H11Cl2N,,,,,,HAWPXGHAZFHHAD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.112,200-122-6,51-78-5,4-hydroxyanilinium chloride,4-hydroxyanilinium chloride,[Cl-].[NH3+]c1ccc(O)cc1,[Cl-].[NH3+]c1ccc(O)cc1,"InChI=1/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H",C6H7NO.ClH,,,,,,RVGOBWDGAVAVPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.116,200-126-8,51-82-1,Dimethylaminomethyl dimethyldithiocarbamate,(dimethylamino)methyl dimethyldithiocarbamate,CN(C)CSC(=S)N(C)C,CN(C)CSC(=S)N(C)C,"InChI=1/C6H14N2S2/c1-7(2)5-10-6(9)8(3)4/h5H2,1-4H3",C6H14N2S2,,,,,,WGPLCRLRYUGWKC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.118,200-128-9,51-84-3,(2-acetoxyethyl)trimethylammonium,"2-acetoxy-N,N,N-trimethylethanaminium",CC(=O)OCC[N+](C)(C)C,CC(=O)OCC[N+](C)(C)C,"InChI=1/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",C7H16NO2,,,,,,OIPILFWXSMYKGL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.466,200-512-6,61-57-4,Niridazole,"1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one",[O-][N+](=O)c1cnc(s1)N2CCNC2=O,[O-][N+](=O)c1cnc(s1)N2CCNC2=O,"InChI=1/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)",C6H6N4O3S,,,,,,RDXLYGJSWZYTFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.981,203-278-3,105-20-4,Betazole,2-(1H-pyrazol-3-yl)ethanamine,NCCc1cc[nH]n1,NCCc1cc[nH]n1,"InChI=1/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)",C5H9N3,,,,,,JXDFEQONERDKSS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.985,203-283-0,105-28-2,"4,5-dihydro-2-heptadecyl-1H-imidazole","2-heptadecyl-4,5-dihydro-1H-imidazole",CCCCCCCCCCCCCCCCCC1=NCCN1,CCCCCCCCCCCCCCCCCC1=NCCN1,"InChI=1/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)",C20H40N2,,,,,,NCVGSSQICKMAIA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.990,203-288-8,105-34-0,Methyl cyanoacetate,methyl cyanoacetate,COC(=O)CC#N,COC(=O)CC#N,"InChI=1/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3",C4H5NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5657,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.990,ANGDWNBGPBMQHW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.998,203-297-7,105-43-1,3-methylvaleric acid,3-methylpentanoic acid,CCC(C)CC(=O)O,CCC(C)CC(=O)O,"InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",C6H12O2,,,,,,IGIDLTISMCAULB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.999,203-298-2,105-44-2,4-methylpentan-2-one oxime,4-methylpentan-2-one oxime,CC(C)CC(C)=NO,CC(C)CC(C)=NO,"InChI=1/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3",C6H13NO,,,,,,ZKALVNREMFLWAN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.006,203-305-9,105-53-3,Diethyl malonate,diethyl malonate,CCOC(=O)CC(=O)OCC,CCOC(=O)CC(=O)OCC,"InChI=1/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3",C7H12O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5774,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.006,IYXGSMUGOJNHAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.009,203-309-0,105-56-6,Ethyl cyanoacetate,ethyl cyanoacetate,CCOC(=O)CC#N,CCOC(=O)CC#N,"InChI=1/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3",C5H7NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8305,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.009,ZIUSEGSNTOUIPT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.011,203-311-1,105-58-8,Diethyl carbonate,diethyl carbonate,CCOC(=O)OCC,CCOC(=O)OCC,"InChI=1/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3",C5H10O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14116,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.011,OIFBSDVPJOWBCH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.017,203-317-4,105-64-6,Bisisopropyl peroxydicarbonate,"2,2'-[dioxybis(carbonyloxy)]dipropane",CC(C)OC(=O)OOC(=O)OC(C)C,CC(C)OC(=O)OOC(=O)OC(C)C,"InChI=1/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3",C8H14O6,,,,,,BWJUFXUULUEGMA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.018,203-319-5,105-65-7,Bis(isopropyl) thioperoxydicarbonate,"2,2'-[disulfanediylbis(carbonothioyloxy)]dipropane",CC(C)OC(=S)SSC(=S)OC(C)C,CC(C)OC(=S)SSC(=S)OC(C)C,"InChI=1/C8H14O2S4/c1-5(2)9-7(11)13-14-8(12)10-6(3)4/h5-6H,1-4H3",C8H14O2S4,,,,,,ZWWQICJTBOCQLA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.020,203-321-6,105-67-9,"2,4-xylenol","2,4-dimethylphenol",Cc1ccc(O)c(C)c1,Cc1ccc(O)c(C)c1,"InChI=1/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3",C8H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12602,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.020,KUFFULVDNCHOFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.021,203-322-1,105-68-0,Isopentyl propionate,3-methylbutyl propionate,CCC(=O)OCCC(C)C,CCC(=O)OCCC(C)C,"InChI=1/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3",C8H16O2,,,,,,XAOGXQMKWQFZEM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.022,203-323-7,105-70-4,"2-hydroxypropane-1,3-diyl diacetate","2-hydroxypropane-1,3-diyl diacetate",CC(=O)OCC(O)COC(=O)C,CC(=O)OCC(O)COC(=O)C,"InChI=1/C7H12O5/c1-5(8)11-3-7(10)4-12-6(2)9/h7,10H,3-4H2,1-2H3",C7H12O5,,,,,,MPPODKLDCLFLKT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.028,203-330-5,105-77-1,Dibutyl thioperoxydicarbonate,"1,1'-[disulfanediylbis(carbonothioyloxy)]dibutane",CCCCOC(=S)SSC(=S)OCCCC,CCCCOC(=S)SSC(=S)OCCCC,"InChI=1/C10H18O2S4/c1-3-5-7-11-9(13)15-16-10(14)12-8-6-4-2/h3-8H2,1-2H3",C10H18O2S4,,,,,,QCAZHHXMIVSLMW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.032,203-334-7,105-81-7,1-allyl-3-(2-hydroxyethyl)thiourea,1-allyl-3-(2-hydroxyethyl)thiourea,OCCNC(=S)NCC=C,OCCNC(=S)NCC=C,"InChI=1/C6H12N2OS/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10)",C6H12N2OS,,,,,,VUVPNTYTOUGMDG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.036,203-338-9,105-85-1,Citronellyl formate,"3,7-dimethyloct-6-en-1-yl formate",CC(CCOC=O)CCC=C(C)C,CC(CCOC=O)CCC=C(C)C,"InChI=1/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3",C11H20O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18137,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.036,DZNVIZQPWLDQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.040,203-343-6,105-89-5,Rhodinyl propionate,"3,7-dimethyloct-7-en-1-yl propionate",CCC(=O)OCCC(C)CCCC(=C)C,CCC(=O)OCCC(C)CCCC(=C)C,"InChI=1/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h12H,2,5-10H2,1,3-4H3",C13H24O2,,,,,,HIOFEMJTKIEZFX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.044,203-347-8,105-95-3,"1,4-dioxacycloheptadecane-5,17-dione","1,4-dioxacycloheptadecane-5,17-dione",O=C1CCCCCCCCCCCC(=O)OCCO1,O=C1CCCCCCCCCCCC(=O)OCCO1,InChI=1/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2,C15H26O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14715,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.044,XRHCAGNSDHCHFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.047,203-350-4,105-99-7,Dibutyl adipate,dibutyl adipate,CCCCOC(=O)CCCCC(=O)OCCCC,CCCCOC(=O)CCCCC(=O)OCCCC,"InChI=1/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3",C14H26O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5939,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.047,XTJFFFGAUHQWII-UHFFFAOYSA-N,,,,,,,,,,,
100.000.441,200-485-0,60-79-7,Ergometrine,"N-(2-hydroxy-1-methylethyl)-6-methyl-9,10-didehydroergoline-8-carboxamide",C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,"InChI=1/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)",C19H23N3O2,,,,,,WVVSZNPYNCNODU-XTQGRXLLSA-N,,,,,,,,,,,
100.000.445,200-489-2,60-87-7,Promethazine,"N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine",CC(CN1c2ccccc2Sc3ccccc13)N(C)C,CC(CN1c2ccccc2Sc3ccccc13)N(C)C,"InChI=1/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3",C17H20N2S,,,,,,PWWVAXIEGOYWEE-UHFFFAOYSA-N,Positive,SM849001,[M+H]+,HCD35,86.0964:285.142:198.0372,CASMI_2016,,,,,
100.000.447,200-491-3,60-91-3,Diethazine,"N,N-diethyl-2-(10H-phenothiazin-10-yl)ethanamine",CCN(CC)CCN1c2ccccc2Sc3ccccc13,CCN(CC)CCN1c2ccccc2Sc3ccccc13,"InChI=1/C18H22N2S/c1-3-19(4-2)13-14-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3",C18H22N2S,,,,,,LURMIKVZJSMXQE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.457,200-502-1,61-25-6,Papaverine hydrochloride,"1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride",Cl.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,Cl.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H",C20H21NO4.ClH,,,,,,UOTMYNBWXDUBNX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.465,202-711-3,98-89-5,Cyclohexanecarboxylic acid,cyclohexanecarboxylic acid,OC(=O)C1CCCCC1,OC(=O)C1CCCCC1,"InChI=1/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)",C7H12O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6338,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.465,NZNMSOFKMUBTKW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.469,202-716-0,98-95-3,Nitrobenzene,nitrobenzene,[O-][N+](=O)c1ccccc1,[O-][N+](=O)c1ccccc1,InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H,C6H5NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14701,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.469,LQNUZADURLCDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.473,202-720-2,99-00-3,Piperazine-1-dithiocarboxylic acid,piperazine-1-carbodithioic acid,SC(=S)N1CCNCC1,SC(=S)N1CCNCC1,"InChI=1/C5H10N2S2/c8-5(9)7-3-1-6-2-4-7/h6H,1-4H2,(H,8,9)",C5H10N2S2,,,,,,IDIICHZCEIGXGB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.486,202-734-9,99-15-0,N-acetyl-DL-leucine,N-acetyl-L-leucine,O=C(C)N[C@@H](CC(C)C)C(O)=O,O=C(C)N[C@@H](CC(C)C)C(O)=O,"InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)",C8H15NO3,,,,,,WXNXCEHXYPACJF-ZETCQYMHSA-N,,,,,,,,,,,
100.002.492,202-741-7,99-24-1,"Methyl 3,4,5-trihydroxybenzoate","methyl 3,4,5-trihydroxybenzoate",COC(=O)c1cc(O)c(O)c(O)c1,COC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3",C8H8O5,,,,,,FBSFWRHWHYMIOG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.493,202-742-2,99-26-3,"2,7-dihydroxy-1,3,2-benzodioxabismole-5-carboxylic acid","2,7-dihydroxy-1,3,2-benzodioxabismole-5-carboxylic acid",O[Bi]1Oc2cc(cc(O)c2O1)C(=O)O,O[Bi]1Oc2cc(cc(O)c2O1)C(=O)O,"InChI=1/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3/rC7H5BiO6/c9-4-1-3(7(10)11)2-5-6(4)14-8(12)13-5/h1-2,9,12H,(H,10,11)",C7H5BiO6,,,,,,JAONZGLTYYUPCT-UHFFFAOYSA-K,,,,,,,,,,,
100.002.494,202-743-8,99-27-4,Dimethyl 5-aminoisophthalate,dimethyl 5-aminoisophthalate,COC(=O)c1cc(N)cc(c1)C(=O)OC,COC(=O)c1cc(N)cc(c1)C(=O)OC,"InChI=1/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3",C10H11NO4,,,,,,DEKPYXUDJRABNK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.495,202-744-3,99-28-5,"2,6-dibromo-4-nitrophenol","2,6-dibromo-4-nitrophenol",Oc1c(Br)cc(cc1Br)[N+](=O)[O-],Oc1c(Br)cc(cc1Br)[N+](=O)[O-],"InChI=1/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H",C6H3Br2NO3,,,,,,WBHYZUAQCSHXCT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.496,202-745-9,99-29-6,2-bromo-6-chloro-4-nitroaniline,2-bromo-6-chloro-4-nitroaniline,Nc1c(Cl)cc(cc1Br)[N+](=O)[O-],Nc1c(Cl)cc(cc1Br)[N+](=O)[O-],"InChI=1/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",C6H4BrClN2O2,,,,,,GLUCALKKMFBJEB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.625,201-787-5,87-97-8,"2,6-di-tert-butyl-4-(methoxymethyl)phenol","2,6-di-tert-butyl-4-(methoxymethyl)phenol",COCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,COCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3",C16H26O2,,,,,,SCXYLTWTWUGEAA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.626,201-788-0,87-99-0,Xylitol,D-erythro-pentitol,O[C@H](CO)[C@H](O)[C@@H](O)CO,O[C@H](CO)[C@H](O)[C@@H](O)CO,"InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2",C5H12O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13631,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.626,HEBKCHPVOIAQTA-SCDXWVJYSA-N,,,,,,,,,,,
100.001.627,201-789-6,88-00-6,"Ethyl 2,4-dichloro-3-oxobutyrate","ethyl 2,4-dichloro-3-oxobutanoate",CCOC(=O)C(Cl)C(=O)CCl,CCOC(=O)C(Cl)C(=O)CCl,"InChI=1/C6H8Cl2O3/c1-2-11-6(10)5(8)4(9)3-7/h5H,2-3H2,1H3",C6H8Cl2O3,,,,,,GPDFVBIDCBPHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.629,201-791-7,88-02-8,"Toluene-2,4,6-triyltriamine","2-methylbenzene-1,3,5-triamine",Cc1c(N)cc(N)cc1N,Cc1c(N)cc(N)cc1N,"InChI=1/C7H11N3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,8-10H2,1H3",C7H11N3,,,,,,YYDRNPOEMZZTPM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.326,202-557-7,97-07-4,1-chloro-4-(methylsulphonyl)-2-nitrobenzene,1-chloro-4-(methylsulfonyl)-2-nitrobenzene,CS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],CS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C7H6ClNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",C7H6ClNO4S,,,,,,JAANTSGNTKWLFA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.328,202-559-8,97-09-6,4-chloro-3-nitrobenzenesulphonamide,4-chloro-3-nitrobenzenesulfonamide,NS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],NS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)",C6H5ClN2O4S,,,,,,SPZGXONNVLTQDE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.329,202-560-3,97-10-9,4-(methylsulphonyl)-2-nitrophenol,4-(methylsulfonyl)-2-nitrophenol,CS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],CS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C7H7NO5S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3",C7H7NO5S,,,,,,WPYHDEFQVGUCQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.331,202-562-4,97-16-5,"2,4-dichlorophenyl benzenesulphonate","2,4-dichlorophenyl benzenesulfonate",Clc1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1,Clc1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1,"InChI=1/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H",C12H8Cl2O3S,,,,,,OZFAFGSSMRRTDW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.336,202-568-7,97-24-5,Fenticlor,"2,2'-sulfanediylbis(4-chlorophenol)",Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O,Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O,"InChI=1/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H",C12H8Cl2O2S,,,,,,ANUSOIHIIPAHJV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.341,202-573-4,97-34-7,3-amino-4-(p-aminoanilino)benzenesulphonic acid,3-amino-4-[(4-aminophenyl)amino]benzenesulfonic acid,Nc1ccc(Nc2ccc(cc2N)S(=O)(=O)O)cc1,Nc1ccc(Nc2ccc(cc2N)S(=O)(=O)O)cc1,"InChI=1/C12H13N3O3S/c13-8-1-3-9(4-2-8)15-12-6-5-10(7-11(12)14)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)",C12H13N3O3S,,,,,,ACKJQSTXPUVROE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.350,202-583-9,97-45-0,"p-mentha-1(6),8-dien-2-yl propionate",5-isopropenyl-2-methylcyclohex-2-en-1-yl propionate,CCC(=O)OC1CC(CC=C1C)C(=C)C,CCC(=O)OC1CC(CC=C1C)C(=C)C,"InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3",C13H20O2,,,,,,DFVXNZOMAOGTBL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.353,202-587-0,97-51-8,5-nitrosalicylaldehyde,2-hydroxy-5-nitrobenzaldehyde,Oc1ccc(cc1C=O)[N+](=O)[O-],Oc1ccc(cc1C=O)[N+](=O)[O-],"InChI=1/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H",C7H5NO4,,,,,,IHFRMUGEILMHNU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.355,202-589-1,97-53-0,Eugenol,4-allyl-2-methoxyphenol,COc1cc(CC=C)ccc1O,COc1cc(CC=C)ccc1O,"InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C10H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13694,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.355,RRAFCDWBNXTKKO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.841,200-924-6,76-00-6,"1,1,1-trichloropropan-2-ol","1,1,1-trichloropropan-2-ol",CC(O)C(Cl)(Cl)Cl,CC(O)C(Cl)(Cl)Cl,"InChI=1/C3H5Cl3O/c1-2(7)3(4,5)6/h2,7H,1H3",C3H5Cl3O,,,,,,HCMBPASAOZIEDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.842,200-925-1,76-01-7,Pentachloroethane,"1,1,1,2,2-pentachloroethane",ClC(Cl)C(Cl)(Cl)Cl,ClC(Cl)C(Cl)(Cl)Cl,"InChI=1/C2HCl5/c3-1(4)2(5,6)7/h1H",C2HCl5,,,,,,BNIXVQGCZULYKV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.852,200-936-1,76-13-1,"1,1,2-trichlorotrifluoroethane","1,1,2-trichloro-1,2,2-trifluoroethane",FC(F)(Cl)C(F)(Cl)Cl,FC(F)(Cl)C(F)(Cl)Cl,"InChI=1/C2Cl3F3/c3-1(4,6)2(5,7)8",C2Cl3F3,,,,,,AJDIZQLSFPQPEY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.853,200-937-7,76-14-2,Cryofluorane,"1,2-dichloro-1,1,2,2-tetrafluoroethane",FC(F)(Cl)C(F)(F)Cl,FC(F)(Cl)C(F)(F)Cl,"InChI=1/C2Cl2F4/c3-1(5,6)2(4,7)8",C2Cl2F4,,,,,,DDMOUSALMHHKOS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.877,200-963-9,76-47-1,Hydrocortamate,"11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate",CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3",C27H41NO6,,,,,,FWFVLWGEFDIZMJ-FOMYWIRZSA-N,,,,,,,,,,,
100.000.878,200-964-4,76-49-3,"Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate",CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",C12H20O2,,,,,,KGEKLUUHTZCSIP-HOSYDEDBSA-N,,,,,,,,,,,
100.000.881,200-968-6,76-54-0,"2-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid","2-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid",OC(=O)c1ccccc1C2=C3C=C(Cl)C(=O)C=C3Oc4cc(O)c(Cl)cc24,OC(=O)c1ccccc1C2=C3C=C(Cl)C(=O)C=C3Oc4cc(O)c(Cl)cc24,"InChI=1/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26/h1-8,23H,(H,25,26)",C20H10Cl2O5,,,,,,DEKLBBNTWGKTGV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.470,200-516-8,61-75-6,Bretylium tosilate,"N-(2-bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate",CC[N+](C)(C)Cc1ccccc1Br.Cc2ccc(cc2)S(=O)(=O)[O-],CC[N+](C)(C)Cc1ccccc1Br.Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C11H17BrN.C7H7O3S,,,,,,KVWNWTZZBKCOPM-UHFFFAOYSA-M,,,,,,,,,,,
100.000.475,200-522-0,61-90-5,L-leucine,L-leucine,CC(C)C[C@H](N)C(=O)O,CC(C)C[C@H](N)C(=O)O,"InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",C6H13NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11897,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.475,ROHFNLRQFUQHCH-YFKPBYRVSA-N,,,,,,,,,,,
100.000.479,200-526-2,62-23-7,4-nitrobenzoic acid,4-nitrobenzoic acid,OC(=O)c1ccc(cc1)[N+](=O)[O-],OC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)",C7H5NO4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7213,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.479,OTLNPYWUJOZPPA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.483,200-530-4,62-37-3,Chlormerodrin,[3-(carbamoylamino)-2-methoxypropyl](chloro)mercury,COC(CNC(=O)N)C[Hg]Cl,COC(CNC(=O)N)C[Hg]Cl,"InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/rC5H11ClHgN2O2/c1-11-4(2-7-6)3-9-5(8)10/h4H,2-3H2,1H3,(H3,8,9,10)",C5H11ClHgN2O2,,,,,,BJFGVYCULWBXKF-UHFFFAOYSA-M,,,,,,,,,,,
100.000.490,200-538-8,62-52-2,[DL-aspartato(2-)]magnesium,"[aspartato(2-)-kappa~2~O~1~,O~4~]magnesium",NC1CC(=O)O[Mg]OC1=O,NC1CC(=O)O[Mg]OC1=O,"InChI=1/C4H7NO4.Mg/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2",C4H5MgNO4,,,,,,NFFJLMKHRCXLJO-UHFFFAOYSA-L,,,,,,,,,,,
100.000.501,200-550-3,62-76-0,Disodium oxalate,disodium oxalate,[Na+].[Na+].[O-]C(=O)C(=O)[O-],[Na+].[Na+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",C2H2O4.2Na,,,,,,ZNCPFRVNHGOPAG-UHFFFAOYSA-L,,,,,,,,,,,
100.000.503,200-552-4,62-97-5,Diphemanil metilsulfate,"4-(diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate",COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1,COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1,"InChI=1/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C20H24N.CH3O4S,,,,,,BREMLQBSKCSNNH-UHFFFAOYSA-M,,,,,,,,,,,
100.000.509,200-559-2,63-42-3,Lactose,4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2",C12H22O11,,,,,,GUBGYTABKSRVRQ-DCSYEGIMSA-N,,,,,,,,,,,
100.000.515,200-566-0,63-84-3,"3-(3,4-dihydroxyphenyl)-DL-alanine",3-hydroxytyrosine,NC(Cc1ccc(O)c(O)c1)C(=O)O,NC(Cc1ccc(O)c(O)c1)C(=O)O,"InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",C9H11NO4,,,,,,WTDRDQBEARUVNC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.128,200-139-9,52-39-1,Aldosterone,"11,21-dihydroxy-3,20-dioxopregn-4-en-18-al",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@H](O)[C@H]23)C=O,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@H](O)[C@H]23)C=O,"InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3",C21H28O5,,,,,,PQSUYGKTWSAVDQ-ZVIOFETBSA-N,,,,,,,,,,,
100.000.129,200-140-4,52-43-7,Allobarbital,"5,5-diallylpyrimidine-2,4,6(1H,3H,5H)-trione",C=CCC1(CC=C)C(=O)NC(=O)NC1=O,C=CCC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",C10H12N2O3,,,,,,FDQGNLOWMMVRQL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.131,200-143-0,52-51-7,Bronopol,"2-bromo-2-nitropropane-1,3-diol",OCC(Br)(CO)[N+](=O)[O-],OCC(Br)(CO)[N+](=O)[O-],"InChI=1/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2",C3H6BrNO4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11419,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.131,LVDKZNITIUWNER-UHFFFAOYSA-N,,,,,,,,,,,
100.000.136,200-148-8,52-67-5,Penicillamine,3-sulfanyl-D-valine,OC(=O)[C@H](N)C(C)(C)S,OC(=O)[C@H](N)C(C)(C)S,"InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)",C5H11NO2S,,,,,,VVNCNSJFMMFHPL-VKHMYHEASA-N,Positive/Negative,mzcloud:509,[M+H]+;[2M+Na]+,HCD_Averaged,174.05832:146.06342:150.0583,HighChem,mzcloud:509,[M-H]-,HCD_Averaged,112.0768:74.02475:98.02475,HighChem
100.000.141,200-154-0,52-85-7,"O-[4-[(dimethylamino)sulphonyl]phenyl] O,O-dimethyl thiophosphate","O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl thiophosphate",COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C,COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C,"InChI=1/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3",C10H16NO5PS2,,,,,,JISACBWYRJHSMG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.149,200-162-4,53-06-5,Cortisone,"17,21-dihydroxypregn-4-ene-3,11,20-trione",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23,"InChI=1/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3",C21H28O5,,,,,,MFYSYFVPBJMHGN-ZPOLXVRWSA-N,Positive/Negative,EQ319901|EQ319902|EQ319903|EQ319904|EQ319905|EQ319906|EQ319907|EQ319908|EQ319909;UF423101|UF423102|UF423103|UF423104,[M+H]+;[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD55|HCD80|CID35|CID55,361.2009:343.1904:163.1116|361.201:163.1117:343.1906|163.1117:121.0648:145.1012|163.1117:121.0648:105.0699|105.0699:121.0648:93.0699|91.0543:105.0699:79.0542|91.0543:79.0542:95.0492|91.0543:115.0543:95.0492|91.0543:115.0543:65.0386;163.1116:121.0646:145.101|105.0696:121.0645:163.1114|343.1899:163.1115:325.1795|163.1115:343.1898:325.1794,Eawag;UFZ,EQ319951|EQ319952|EQ319953|EQ319954|EQ319955|EQ319956|EQ319957|EQ319958|EQ319959,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,329.1755:301.1809:327.1603|329.1756:301.181:311.1654|137.0607:329.1758:311.1654|137.0607:149.0607:109.0659|137.0608:149.0608:122.0374|149.0608:137.0608:122.0374|57.0346:149.0608:122.0374|57.0346:147.0452:107.0502|57.0346:65.0397:147.0452,Eawag
100.003.049,203-353-0,106-01-4,Oxydiethylene dinonanoate,oxydiethylene dinonanoate,CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-].C=COC=C,CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-].C=COC=C,"InChI=1/2C9H18O2.C4H6O/c2*1-2-3-4-5-6-7-8-9(10)11;1-3-5-4-2/h2*2-8H2,1H3,(H,10,11);3-4H,1-2H2/p-2",C22H42O5,,,,,,QBULKUYHGVTXQK-UHFFFAOYSA-L,,,,,,,,,,,
100.003.050,203-354-6,106-02-5,Pentadecan-15-olide,oxacyclohexadecan-2-one,O=C1CCCCCCCCCCCCCCO1,O=C1CCCCCCCCCCCCCCO1,InChI=1/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2,C15H28O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5937,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.050,FKUPPRZPSYCDRS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.055,203-359-3,106-08-1,"26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl laurate","26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl laurate",CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C30H60O11/c1-2-3-4-5-6-7-8-9-10-11-30(32)41-29-28-40-27-26-39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-31/h31H,2-29H2,1H3",C30H60O11,,,,,,FGGVRPFJBBRZFG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.056,203-360-9,106-09-2,N-[2-[(2-hydroxyethyl)amino]ethyl]dodecanamide,N-{2-[(2-hydroxyethyl)amino]ethyl}dodecanamide,CCCCCCCCCCCC(=O)NCCNCCO,CCCCCCCCCCCC(=O)NCCNCCO,"InChI=1/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-12-17-14-15-19/h17,19H,2-15H2,1H3,(H,18,20)",C16H34N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12615,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.056,JSCRBGDMRPOYAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.058,203-363-5,106-11-6,2-(2-hydroxyethoxy)ethyl stearate,2-(2-hydroxyethoxy)ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCCO,CCCCCCCCCCCCCCCCCC(=O)OCCOCCO,"InChI=1/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h23H,2-21H2,1H3",C22H44O4,,,,,,PWVUXRBUUYZMKM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.059,203-364-0,106-12-7,2-(2-hydroxyethoxy)ethyl monooleate,2-(2-hydroxyethoxy)ethyl octadec-9-enoate,CCCCCCCCC=CCCCCCCCC(=O)OCCOCCO,CCCCCCCCC=CCCCCCCCC(=O)OCCOCCO,"InChI=1/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h9-10,23H,2-8,11-21H2,1H3",C22H42O4,,,,,,PHDVPEOLXYBNJY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.061,203-366-1,106-14-9,12-hydroxystearic acid,12-hydroxyoctadecanoic acid,CCCCCCC(O)CCCCCCCCCCC(=O)O,CCCCCCC(O)CCCCCCCCCCC(=O)O,"InChI=1/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",C18H36O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15245,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.061,ULQISTXYYBZJSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.063,203-368-2,106-16-1,(R)-12-hydroxy-N-(2-hydroxyethyl)oleamide,12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)NCCO,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)NCCO,"InChI=1/C20H39NO3/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)21-17-18-22/h9,12,19,22-23H,2-8,10-11,13-18H2,1H3,(H,21,24)",C20H39NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17741,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.063,JYDIHAYTECQGQK-UZRURVBFSA-N,,,,,,,,,,,
100.003.073,203-379-2,106-26-3,"(Z)-3,7-dimethylocta-2,6-dienal","3,7-dimethylocta-2,6-dienal",CC(=CCC\\C(=C/C=O)\\C)C,CC(=CCC\C(=C/C=O)\C)C,"InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",C10H16O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6329,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.073,WTEVQBCEXWBHNA-YFHOEESVSA-N,,,,,,,,,,,
100.003.074,203-380-8,106-27-4,3-methylbutyl butyrate,3-methylbutyl butyrate,CCCC(=O)OCCC(C)C,CCCC(=O)OCCC(C)C,"InChI=1/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3",C9H18O2,,,,,,PQLMXFQTAMDXIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.077,203-383-4,106-31-0,Butyric anhydride,butanoic anhydride,CCCC(=O)OC(=O)CCC,CCCC(=O)OC(=O)CCC,"InChI=1/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3",C8H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12002,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.077,YHASWHZGWUONAO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.078,203-385-5,106-32-1,Ethyl octanoate,ethyl octanoate,CCCCCCCC(=O)OCC,CCCCCCCC(=O)OCC,"InChI=1/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3",C10H20O2,,,,,,YYZUSRORWSJGET-UHFFFAOYSA-N,,,,,,,,,,,
100.003.079,203-386-0,106-33-2,Ethyl laurate,ethyl laurate,CCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCC(=O)OCC,"InChI=1/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3",C14H28O2,,,,,,MMXKVMNBHPAILY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.080,203-387-6,106-34-3,Quinhydrone,"1,4-benzoquinone - benzene-1,4-diol (1:1)",Oc1ccc(O)cc1.O=C2C=CC(=O)C=C2,Oc1ccc(O)cc1.O=C2C=CC(=O)C=C2,"InChI=1/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H",C6H6O2.C6H4O2,,,,,,BDJXVNRFAQSMAA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.081,203-388-1,106-35-4,Heptan-3-one,heptan-3-one,CCCCC(=O)CC,CCCCC(=O)CC,"InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3",C7H14O,,,,,,NGAZZOYFWWSOGK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.087,203-394-4,106-41-2,4-bromophenol,4-bromophenol,Oc1ccc(Br)cc1,Oc1ccc(Br)cc1,"InChI=1/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H",C6H5BrO,,,,,,GZFGOTFRPZRKDS-UHFFFAOYSA-N,Negative,,,,,,SM865051,[M-H]-,HCD35,170.9451:142.9466,CASMI_2016
100.003.088,203-396-5,106-42-3,p-xylene,p-xylene,Cc1ccc(C)cc1,Cc1ccc(C)cc1,"InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",C8H10,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15791,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.088,URLKBWYHVLBVBO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.090,203-398-6,106-44-5,p-cresol,p-cresol,Cc1ccc(O)cc1,Cc1ccc(O)cc1,"InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",C7H8O,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15980,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.090,IWDCLRJOBJJRNH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.095,203-403-1,106-49-0,p-toluidine,p-toluidine,Cc1ccc(N)cc1,Cc1ccc(N)cc1,"InChI=1/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3",C7H9N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14581,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.095,RZXMPPFPUUCRFN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.153,200-167-1,53-21-4,Cocaine hydrochloride,methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride,Cl.COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3,Cl.COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3,"InChI=1/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H",C17H21NO4.ClH,,,,,,PIQVDUKEQYOJNR-VZXSFKIWSA-N,,,,,,,,,,,
100.000.154,200-168-7,53-31-6,Medibazine,"1-(1,3-benzodioxol-5-ylmethyl)-4-(diphenylmethyl)piperazine",C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccc5OCOc5c4,C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccc5OCOc5c4,"InChI=1/C25H26N2O2/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)27-15-13-26(14-16-27)18-20-11-12-23-24(17-20)29-19-28-23/h1-12,17,25H,13-16,18-19H2",C25H26N2O2,,,,,,ORAUEDBBTFLQSK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.164,200-179-7,53-60-1,Promazine hydrochloride,"N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine hydrochloride",Cl.CN(C)CCCN1c2ccccc2Sc3ccccc13,Cl.CN(C)CCCN1c2ccccc2Sc3ccccc13,"InChI=1/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H",C17H20N2S.ClH,,,,,,JIVSXRLRGOICGA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.165,200-180-2,53-69-0,"8,10-dimethylbenz[a]acridine","8,10-dimethylbenzo[a]acridine",Cc1cc(C)c2nc3ccc4ccccc4c3cc2c1,Cc1cc(C)c2nc3ccc4ccccc4c3cc2c1,"InChI=1/C19H15N/c1-12-9-13(2)19-15(10-12)11-17-16-6-4-3-5-14(16)7-8-18(17)20-19/h3-11H,1-2H3",C19H15N,,,,,,QJPFZQCEUDMYTG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.169,200-184-4,53-84-9,Nadide,nadide,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,"InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)",C21H27N7O14P2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10862,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.169,BAWFJGJZGIEFAR-NNYOXOHSSA-N,,,,,,,,,,,
100.000.175,200-191-2,54-05-7,Chloroquine,"N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine",CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,"InChI=1/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)",C18H26ClN3,,,,,,WHTVZRBIWZFKQO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.176,200-192-8,54-06-8,"3-hydroxy-1-methylindoline-5,6-dione","3-hydroxy-1-methylindoline-5,6-dione",CN1CC(O)C2=CC(=O)C(=O)C=C12,CN1CC(O)C2=CC(=O)C(=O)C=C12,"InChI=1/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3",C9H9NO3,,,,,,RPHLQSHHTJORHI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.177,200-193-3,54-11-5,Nicotine,3-(1-methylpyrrolidin-2-yl)pyridine,CN1CCC[C@H]1c2cccnc2,CN1CCC[C@H]1c2cccnc2,"InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",C10H14N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15857,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.177,SNICXCGAKADSCV-JTQLQIEISA-N,Positive,EQ300801|EQ300802|EQ300803|EQ300804|EQ300805|EQ300806,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,163.1229:132.0807:106.065|163.1228:132.0806:106.065|132.0806:163.1227:130.0651|132.0806:130.065:106.065|130.065:117.0571:132.0806|130.0651:117.0572:132.0806,Eawag,,,,,
100.000.181,200-198-0,54-21-7,Sodium salicylate,sodium salicylate,[Na+].Oc1ccccc1C(=O)[O-],[Na+].Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",C7H6O3.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13593,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.181,ABBQHOQBGMUPJH-UHFFFAOYSA-M,,,,,,,,,,,
100.000.189,200-207-8,54-42-2,Idoxuridine,1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one,I\\C\\1=C\\N(C(=O)/N=C/1/O)[C@@H]2C[C@H](O)[C@@H](CO)O2,I\C\1=C\N(C(=O)/N=C/1/O)[C@@H]2C[C@H](O)[C@@H](CO)O2,"InChI=1/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)",C9H11IN2O5,,,,,,XQFRJNBWHJMXHO-XVMARJQXSA-N,,,,,,,,,,,
100.000.191,200-209-9,54-62-6,"N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid","N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)glutamic acid",Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1,Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1,"InChI=1/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)",C19H20N8O5,,,,,,TVZGACDUOSZQKY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.194,200-213-0,54-77-3,"1,1-dimethyl-4-phenylpiperazinium iodide","1,1-dimethyl-4-phenylpiperazin-1-ium iodide",[I-].C[N+]1(C)CCN(CC1)c2ccccc2,[I-].C[N+]1(C)CCN(CC1)c2ccccc2,"InChI=1/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1",C12H19N2.I,,,,,,XFZJGFIKQCCLGK-UHFFFAOYSA-M,,,,,,,,,,,
100.000.197,200-216-7,54-87-5,"1-[(5-nitrofurfurylidene)amino]imidazolidine-2,4-dione, sodium salt",-,[Na+].O=[N+]([O-])c2ccc(C=NN1CC(=O)NC1=O)o2,[Na+].O=[N+]([O-])c2ccc(C=NN1CC(=O)NC1=O)o2,"InChI=1/C8H6N4O5.Na/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16;/h1-3H,4H2,(H,10,13,14);/q;+1",C8H6N4O5.Na,,,,,,AFDJQFFKYDCYIG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.198,200-217-2,54-88-6,"N,N-dimethyl-4-(phenylazo)-m-toluidine","N,N,3-trimethyl-4-(phenyldiazenyl)aniline",CN(C)c2ccc(N=Nc1ccccc1)c(C)c2,CN(C)c2ccc(N=Nc1ccccc1)c(C)c2,"InChI=1/C15H17N3/c1-12-11-14(18(2)3)9-10-15(12)17-16-13-7-5-4-6-8-13/h4-11H,1-3H3",C15H17N3,,,,,,QXTOLYZIJUDOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.203,200-223-5,55-06-1,Liothyronine sodium,"sodium 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate",[Na+].N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-],[Na+].N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-],"InChI=1/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1",C15H12I3NO4.Na,,,,,,SBXXSUDPJJJJLC-YDALLXLXSA-M,,,,,,,,,,,
100.000.204,200-224-0,55-10-7,4-hydroxy-3-methoxymandelic acid,hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid,COc1cc(ccc1O)C(O)C(=O)O,COc1cc(ccc1O)C(O)C(=O)O,"InChI=1/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)",C9H10O5,,,,,,CGQCWMIAEPEHNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.209,200-229-8,55-27-6,"DL-a-(aminomethyl)-3,4-dihydroxybenzyl alcohol","4-(2-amino-1-hydroxyethyl)benzene-1,2-diol",NCC(O)c1ccc(O)c(O)c1,NCC(O)c1ccc(O)c(O)c1,"InChI=1/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2",C8H11NO3.ClH,,,,,,SFLSHLFXELFNJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.219,200-240-8,55-63-0,Glycerol trinitrate,"propane-1,2,3-triyl trinitrate",[O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-],[O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2",C3H5N3O9,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14597,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.219,SNIOPGDIGTZGOP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.222,200-243-4,55-80-1,"N,N-dimethyl-4-(m-tolylazo)aniline","N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline",CN(C)c2ccc(N=Nc1cc(C)ccc1)cc2,CN(C)c2ccc(N=Nc1cc(C)ccc1)cc2,"InChI=1/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3",C15H17N3,,,,,,LVTFSVIRYMXRSR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.224,200-246-0,55-86-7,Chlormethine hydrochloride,2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride,Cl.CN(CCCl)CCCl,Cl.CN(CCCl)CCCl,"InChI=1/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H",C5H11Cl2N.ClH,,,,,,QZIQJVCYUQZDIR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.227,200-249-7,55-97-0,Hexamethonium bromide,"N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dibromide",[Br-].[Br-].C[N+](C)(C)CCCCCC[N+](C)(C)C,[Br-].[Br-].C[N+](C)(C)CCCCCC[N+](C)(C)C,"InChI=1/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",C12H30N2.2Br,,,,,,FAPSXSAPXXJTOU-UHFFFAOYSA-L,,,,,,,,,,,
100.000.229,200-251-8,56-03-1,Biguanide,imidodicarbonimidic diamide,NC(=N)NC(=N)N,NC(=N)NC(=N)N,"InChI=1/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)",C2H7N5,,,,,,XNCOSPRUTUOJCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.230,200-252-3,56-04-2,Methylthiouracil,"6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",CC1=CC(=O)NC(=S)N1,CC1=CC(=O)NC(=S)N1,"InChI=1/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",C5H6N2OS,,,,,,HWGBHCRJGXAGEU-UHFFFAOYSA-N,Positive,AU172201|AU172202,[M+H]+,CID10|CID20,143.0281|126.0019:143.0276,Athens_Univ,,,,,
100.000.235,200-258-6,56-12-2,4-aminobutyric acid,4-aminobutanoic acid,NCCCC(=O)O,NCCCC(=O)O,"InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",C4H9NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17547,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.235,BTCSSZJGUNDROE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.247,200-271-7,56-38-2,Parathion,"O,O-diethyl O-(4-nitrophenyl) thiophosphate",CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-],CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",C10H14NO5PS,,,,,,LCCNCVORNKJIRZ-UHFFFAOYSA-N,Positive,EQ311501|EQ311502|EQ311503|EQ311504|EQ311505|EQ311506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,235.9775:264.0088:292.04|235.9775:140.034:253.9881|235.9776:140.0341:94.0412|94.0412:114.9612:123.0313|94.0412:114.9612:123.0313|94.0412:114.9612:123.0313,Eawag,,,,,
100.000.248,200-272-2,56-40-6,Glycine,glycine,NCC(=O)O,NCC(=O)O,"InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",C2H5NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14889,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.248,DHMQDGOQFOQNFH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.261,200-286-9,56-73-5,Glucose 6-(dihydrogen phosphate),6-O-phosphonohexopyranose,OC1OC(COP(=O)(O)O)C(O)C(O)C1O,OC1OC(COP(=O)(O)O)C(O)C(O)C1O,"InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)",C6H13O9P,,,,,,NBSCHQHZLSJFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.262,200-287-4,56-75-7,Chloramphenicol,"2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide",OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-],OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)",C11H12Cl2N2O5,,,,,,WIIZWVCIJKGZOK-RKDXNWHRSA-N,Positive/Negative,mzcloud:1635,[M+H]+,HCD_Averaged,82.94498:119.0730:165.06585:257.9957:274.99849:305.0090:241.0056:151.06284:96.0443,HighChem,mzcloud:1635,[M-H]-,HCD_Averaged,257.0335:194.0460:176.03543:152.03532:151.02769:121.0297,HighChem
100.000.267,200-293-7,56-86-0,Glutamic acid,glutamic acid,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O,"InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)",C5H9NO4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12560,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.267,WHUUTDBJXJRKMK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.269,200-295-8,56-88-2,(R)-S-(2-amino-2-carboxyethyl)-L-homocysteine,S-(2-amino-2-carboxyethyl)-L-homocysteine,N[C@@H](CCSCC(N)C(=O)O)C(=O)O,N[C@@H](CCSCC(N)C(=O)O)C(=O)O,"InChI=1/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)",C7H14N2O4S,,,,,,ILRYLPWNYFXEMH-ROLXFIACSA-N,,,,,,,,,,,
100.000.271,200-297-9,56-91-7,p-(aminomethyl)benzoic acid,4-(aminomethyl)benzoic acid,NCc1ccc(cc1)C(=O)O,NCc1ccc(cc1)C(=O)O,"InChI=1/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)",C8H9NO2,,,,,,QCTBMLYLENLHLA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.279,200-307-1,57-03-4,"2,3-hydroxy-1-propyl dihydrogen phosphate","2,3-dihydroxypropyl dihydrogen phosphate",OCC(O)COP(=O)(O)O,OCC(O)COP(=O)(O)O,"InChI=1/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)",C3H9O6P,,,,,,AWUCVROLDVIAJX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.099,203-407-3,106-53-6,4-bromobenzenethiol,4-bromobenzenethiol,Sc1ccc(Br)cc1,Sc1ccc(Br)cc1,"InChI=1/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H",C6H5BrS,,,,,,FTBCOQFMQSTCQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.105,203-414-1,106-60-5,5-amino-4-oxovaleric acid,5-amino-4-oxopentanoic acid,NCC(=O)CCC(=O)O,NCC(=O)CCC(=O)O,"InChI=1/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)",C5H9NO3,,,,,,ZGXJTSGNIOSYLO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.114,203-424-6,106-69-4,"Hexane-1,2,6-triol","hexane-1,2,6-triol",OCCCCC(O)CO,OCCCCC(O)CO,"InChI=1/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2",C6H14O3,,,,,,ZWVMLYRJXORSEP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.115,203-425-1,106-70-7,Methyl hexanoate,methyl hexanoate,CCCCCC(=O)OC,CCCCCC(=O)OC,"InChI=1/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",C7H14O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5296,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.115,NUKZAGXMHTUAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.116,203-426-7,106-71-8,2-cyanoethyl acrylate,2-cyanoethyl acrylate,C=CC(=O)OCCC#N,C=CC(=O)OCCC#N,"InChI=1/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2",C6H7NO2,,,,,,AEPWOCLBLLCOGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.099,204-508-5,121-92-6,3-nitrobenzoic acid,3-nitrobenzoic acid,OC(=O)c1cccc(c1)[N+](=O)[O-],OC(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)",C7H5NO4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17715,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.099,AFPHTEQTJZKQAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.102,204-511-1,121-95-9,N-methyl-N-(4-nitrophenyl)acetamide,N-methyl-N-(4-nitrophenyl)acetamide,CN(C(=O)C)c1ccc(cc1)[N+](=O)[O-],CN(C(=O)C)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H10N2O3/c1-7(12)10(2)8-3-5-9(6-4-8)11(13)14/h3-6H,1-2H3",C9H10N2O3,,,,,,DKZFYTVXALXRSH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.103,204-512-7,121-97-1,p-methoxypropiophenone,1-(4-methoxyphenyl)propan-1-one,CCC(=O)c1ccc(OC)cc1,CCC(=O)c1ccc(OC)cc1,"InChI=1/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3",C10H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5905,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.103,ZJVAWPKTWVFKHG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.104,204-513-2,121-98-2,Methyl p-anisate,methyl 4-methoxybenzoate,COC(=O)c1ccc(OC)cc1,COC(=O)c1ccc(OC)cc1,"InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3",C9H10O3,,,,,,DDIZAANNODHTRB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.107,204-516-9,122-03-2,4-isopropylbenzaldehyde,4-isopropylbenzaldehyde,CC(C)c1ccc(C=O)cc1,CC(C)c1ccc(C=O)cc1,"InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3",C10H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12093,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.107,WTWBUQJHJGUZCY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.122,204-533-1,122-31-6,"1,1,3,3-tetraethoxypropane","1,1,3,3-tetraethoxypropane",CCOC(CC(OCC)OCC)OCC,CCOC(CC(OCC)OCC)OCC,"InChI=1/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3",C11H24O4,,,,,,KVJHGPAAOUGYJX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.125,204-536-8,122-35-0,2-phenoxypropionyl chloride,2-phenoxypropanoyl chloride,CC(Oc1ccccc1)C(=O)Cl,CC(Oc1ccccc1)C(=O)Cl,"InChI=1/C9H9ClO2/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3",C9H9ClO2,,,,,,BDSSZTXPZHIYHM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.128,204-539-4,122-39-4,Diphenylamine,N-phenylaniline,N(c1ccccc1)c2ccccc2,N(c1ccccc1)c2ccccc2,"InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",C12H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14442,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.128,DMBHHRLKUKUOEG-UHFFFAOYSA-N,Positive,SM808601;EQ309201|EQ309202|EQ309203|EQ309204|EQ309205|EQ309206,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,170.0963:93.0572:92.0494;170.0965:92.0494:93.0571|170.0965:93.0571:92.0494|170.0964:93.0572:92.0495|170.0964:93.0572:92.0495|93.0572:92.0495:170.0963|93.0572:92.0495:65.0386,CASMI_2016;Eawag,,,,,
100.004.140,204-553-0,122-53-2,1-butyl 9-(sulphonatooxy)octadecanoate,1-(8-butoxy-8-oxooctyl)decyl sulfate,CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)[O-],CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)[O-],"InChI=1/C22H44O6S/c1-3-5-7-8-9-11-14-17-21(28-29(24,25)26)18-15-12-10-13-16-19-22(23)27-20-6-4-2/h21H,3-20H2,1-2H3,(H,24,25,26)/p-1",C22H44O6S,,,,,,AVTJBWDHTDGIIG-UHFFFAOYSA-M,,,,,,,,,,,
100.004.143,204-556-7,122-59-8,Phenoxyacetic acid,phenoxyacetic acid,OC(=O)COc1ccccc1,OC(=O)COc1ccccc1,"InChI=1/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",C8H8O3,,,,,,LCPDWSOZIOUXRV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.145,204-558-8,122-62-3,Bis(2-ethylhexyl) sebacate,bis(2-ethylhexyl) sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3",C26H50O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14100,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.145,VJHINFRRDQUWOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.146,204-559-3,122-63-4,Benzyl propionate,benzyl propionate,CCC(=O)OCc1ccccc1,CCC(=O)OCc1ccccc1,"InChI=1/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12165,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.146,VHOMAPWVLKRQAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.149,204-563-5,122-66-7,Hydrazobenzene,"1,2-diphenylhydrazine",N(Nc1ccccc1)c2ccccc2,N(Nc1ccccc1)c2ccccc2,"InChI=1/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H",C12H12N2,,,,,,YBQZXXMEJHZYMB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.555,203-910-8,111-81-9,Methyl undec-10-enoate,methyl undec-10-enoate,COC(=O)CCCCCCCCC=C,COC(=O)CCCCCCCCC=C,"InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3",C12H22O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10072,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.555,KISVAASFGZJBCY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.561,203-917-6,111-87-5,Octan-1-ol,octan-1-ol,CCCCCCCCO,CCCCCCCCO,"InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",C8H18O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15210,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.561,KBPLFHHGFOOTCA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.632,201-794-3,88-05-1,"2,4,6-trimethylaniline","2,4,6-trimethylaniline",Cc1cc(C)c(N)c(C)c1,Cc1cc(C)c(N)c(C)c1,"InChI=1/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3",C9H13N,,,,,,KWVPRPSXBZNOHS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.633,201-795-9,88-06-2,"2,4,6-trichlorophenol","2,4,6-trichlorophenol",Oc1c(Cl)cc(Cl)cc1Cl,Oc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",C6H3Cl3O,,,,,,LINPIYWFGCPVIE-UHFFFAOYSA-N,Negative,,,,,,SM813751,[M-H]-,HCD35,194.9178:158.9412,CASMI_2016
100.001.636,201-799-0,88-11-9,Diethylthiocarbamoyl chloride,diethylcarbamothioic chloride,CCN(CC)C(=S)Cl,CCN(CC)C(=S)Cl,"InChI=1/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3",C5H10ClNS,,,,,,HUUSTUALCPTCGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.909,202-099-8,91-80-5,Methapyrilene,"N,N-dimethyl-N'-pyridin-2-yl-N'-(2-thienylmethyl)ethane-1,2-diamine",CN(C)CCN(Cc1cccs1)c2ccccn2,CN(C)CCN(Cc1cccs1)c2ccccn2,"InChI=1/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3",C14H19N3S,,,,,,HNJJXZKZRAWDPF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.913,202-103-8,91-85-0,Thonzylamine,"N-(4-methoxybenzyl)-N',N'-dimethyl-N-pyrimidin-2-ylethane-1,2-diamine",COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,"InChI=1/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3",C16H22N4O,,,,,,GULNIHOSWFYMRN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.928,202-120-0,92-04-6,3-chlorobiphenyl-4-ol,3-chlorobiphenyl-4-ol,Oc1ccc(cc1Cl)c2ccccc2,Oc1ccc(cc1Cl)c2ccccc2,"InChI=1/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H",C12H9ClO,,,,,,BZWMYDJJDBFAPE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.929,202-121-6,92-05-7,"Biphenyl-3,4-diol","biphenyl-3,4-diol",Oc1ccc(cc1O)c2ccccc2,Oc1ccc(cc1O)c2ccccc2,"InChI=1/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H",C12H10O2,,,,,,QDNPCYCBQFHNJC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.937,202-130-5,92-14-8,4-(diethylamino)-o-tolualdehyde,4-(diethylamino)-2-methylbenzaldehyde,CCN(CC)c1ccc(C=O)c(C)c1,CCN(CC)c1ccc(C=O)c(C)c1,"InChI=1/C12H17NO/c1-4-13(5-2)12-7-6-11(9-14)10(3)8-12/h6-9H,4-5H2,1-3H3",C12H17NO,,,,,,KCZRCYBAYWJVGD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.939,202-132-6,92-16-0,2-benzoyl-2'-methoxyacetanilide,N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide,COc1ccccc1NC(=O)CC(=O)c2ccccc2,COc1ccccc1NC(=O)CC(=O)c2ccccc2,"InChI=1/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)",C16H15NO3,,,,,,FTYSHTGKLFLKRX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.940,202-133-1,92-17-1,3-(m-aminophenyl)-N-(o-methoxyphenyl)-3-oxopropionamide,3-(3-aminophenyl)-N-(2-methoxyphenyl)-3-oxopropanamide,COc1ccccc1NC(=O)CC(=O)c2cccc(N)c2,COc1ccccc1NC(=O)CC(=O)c2cccc(N)c2,"InChI=1/C16H16N2O3/c1-21-15-8-3-2-7-13(15)18-16(20)10-14(19)11-5-4-6-12(17)9-11/h2-9H,10,17H2,1H3,(H,18,20)",C16H16N2O3,,,,,,OQYSWVBFARFVTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.946,202-139-4,92-25-1,8-amino-7-methylphenazin-2-ol,8-amino-7-methylphenazin-2-ol,Cc1cc2nc3ccc(O)cc3nc2cc1N,Cc1cc2nc3ccc(O)cc3nc2cc1N,"InChI=1/C13H11N3O/c1-7-4-11-13(6-9(7)14)16-12-5-8(17)2-3-10(12)15-11/h2-6,17H,14H2,1H3",C13H11N3O,,,,,,KWBJTBKOXIZLGY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.646,201-810-9,88-21-1,2-aminobenzenesulphonic acid,2-aminobenzenesulfonic acid,Nc1ccccc1S(=O)(=O)O,Nc1ccccc1S(=O)(=O)O,"InChI=1/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)",C6H7NO3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10511,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.646,ZMCHBSMFKQYNKA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.648,201-813-5,88-23-3,3-amino-5-chloro-2-hydroxybenzenesulphonic acid,3-amino-5-chloro-2-hydroxybenzenesulfonic acid,Nc1cc(Cl)cc(c1O)S(=O)(=O)O,Nc1cc(Cl)cc(c1O)S(=O)(=O)O,"InChI=1/C6H6ClNO4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)",C6H6ClNO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10562,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.648,YCTAOQGPWNTYJE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.650,201-815-6,88-26-6,"3,5-di-tert-butyl-4-hydroxybenzyl alcohol","2,6-di-tert-butyl-4-(hydroxymethyl)phenol",CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C,"InChI=1/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3",C15H24O2,,,,,,HNURKXXMYARGAY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.653,201-818-2,88-30-2,"a,a,a-trifluoro-4-nitro-m-cresol",4-nitro-3-(trifluoromethyl)phenol,Oc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],Oc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],"InChI=1/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H",C7H4F3NO3,,,,,,ZEFMBAFMCSYJOO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.654,201-819-8,88-31-3,"3,3'-(carbonyldiimino)bis[4-methoxy-6-nitrobenzenesulphonic] acid",4-methoxy-5-{[(2-methoxy-4-nitro-5-sulfophenyl)carbamoyl]amino}-2-nitrobenzenesulfonic acid,COc1cc(c(cc1NC(=O)Nc2cc(c(cc2OC)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-],COc1cc(c(cc1NC(=O)Nc2cc(c(cc2OC)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C15H14N4O13S2/c1-31-11-5-9(18(21)22)13(33(25,26)27)3-7(11)16-15(20)17-8-4-14(34(28,29)30)10(19(23)24)6-12(8)32-2/h3-6H,1-2H3,(H2,16,17,20)(H,25,26,27)(H,28,29,30)",C15H14N4O13S2,,,,,,LSSMDIMUNYBOQN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.892,200-980-1,76-71-1,Diethyl sec-butylethylmalonate,diethyl sec-butyl(ethyl)malonate,CCOC(=O)C(CC)(C(C)CC)C(=O)OCC,CCOC(=O)C(CC)(C(C)CC)C(=O)OCC,"InChI=1/C13H24O4/c1-6-10(5)13(7-2,11(14)16-8-3)12(15)17-9-4/h10H,6-9H2,1-5H3",C13H24O4,,,,,,WZFGIKMWBJCRBU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.897,200-985-9,76-78-8,"(3aS,6aR,7aS,8S,11aS,11bS,11cS)-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a,11c-tetramethyldibenzo[de,g]chromene-1,5,11-trione","2,12-dimethoxypicrasa-2,12-diene-1,11,16-trione",COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@H]4C(=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O)C,COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@H]4C(=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O)C,"InChI=1/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3",C22H28O6,,,,,,IOSXSVZRTUWBHC-NYWUXZQNSA-N,,,,,,,,,,,
100.000.900,200-989-0,76-86-8,Chlorotriphenylsilane,chloro(triphenyl)silane,Cl[Si](c1ccccc1)(c2ccccc2)c3ccccc3,Cl[Si](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H15ClSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15ClSi,,,,,,MNKYQPOFRKPUAE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.905,200-994-8,76-94-8,5-methyl-5-phenylbarbituric acid,"5-methyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",CC1(C(=O)NC(=O)NC1=O)c2ccccc2,CC1(C(=O)NC(=O)NC1=O)c2ccccc2,"InChI=1/C11H10N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h2-6H,1H3,(H2,12,13,14,15,16)",C11H10N2O3,,,,,,LSAOZCAKUIANSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.909,200-999-5,77-03-2,"3,3-diethylpiperidine-2,4-dione","3,3-diethylpiperidine-2,4-dione",CCC1(CC)C(=O)CCNC1=O,CCC1(CC)C(=O)CCNC1=O,"InChI=1/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)",C9H15NO2,,,,,,RGEVWUKXWFOAID-UHFFFAOYSA-N,,,,,,,,,,,
100.000.914,201-004-7,77-09-8,Phenolphthalein,"3,3-bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one",Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,"InChI=1/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H",C20H14O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2203,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.914,KJFMBFZCATUALV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.915,201-005-2,77-11-2,"4-[bis(isopropyl)amino]-2,2-diphenylbutyronitrile","4-(diisopropylamino)-2,2-diphenylbutanenitrile",CC(C)N(CCC(C#N)(c1ccccc1)c2ccccc2)C(C)C,CC(C)N(CCC(C#N)(c1ccccc1)c2ccccc2)C(C)C,"InChI=1/C22H28N2/c1-18(2)24(19(3)4)16-15-22(17-23,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19H,15-16H2,1-4H3",C22H28N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18773,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.915,VNZNXSQQHNCELU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.921,201-012-0,77-21-4,Glutethimide,"3-ethyl-3-phenylpiperidine-2,6-dione",CCC1(CCC(=O)NC1=O)c2ccccc2,CCC1(CCC(=O)NC1=O)c2ccccc2,"InChI=1/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)",C13H15NO2,,,,,,JMBQKKAJIKAWKF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.936,201-028-8,77-46-3,Acedapsone,"N,N'-(sulfonyldi-4,1-phenylene)diacetamide",CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)C)cc2,CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)C)cc2,"InChI=1/C16H16N2O4S/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)",C16H16N2O4S,,,,,,AMTPYFGPPVFBBI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.958,201-052-9,77-73-6,"3a,4,7,7a-tetrahydro-4,7-methanoindene","3a,4,7,7a-tetrahydro-1H-4,7-methanoindene",C1C=CC2C3CC(C=C3)C12,C1C=CC2C3CC(C=C3)C12,"InChI=1/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2",C10H12,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15412,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.958,HECLRDQVFMWTQS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.959,201-053-4,77-74-7,3-methylpentan-3-ol,3-methylpentan-3-ol,CCC(C)(O)CC,CCC(C)(O)CC,"InChI=1/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3",C6H14O,,,,,,FRDAATYAJDYRNW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.962,201-057-6,77-77-0,Divinyl sulphone,"1,1'-sulfonyldiethene",C=CS(=O)(=O)C=C,C=CS(=O)(=O)C=C,"InChI=1/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2",C4H6O2S,,,,,,AFOSIXZFDONLBT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.964,201-059-7,77-79-2,"2,5-dihydrothiophene 1,1-dioxide","2,5-dihydrothiophene 1,1-dioxide",O=S1(=O)CC=CC1,O=S1(=O)CC=CC1,"InChI=1/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2",C4H6O2S,,,,,,MBDNRNMVTZADMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.968,201-063-9,77-85-0,Ethylidynetrimethanol,"2-(hydroxymethyl)-2-methylpropane-1,3-diol",CC(CO)(CO)CO,CC(CO)(CO)CO,"InChI=1/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3",C5H12O3,,,,,,QXJQHYBHAIHNGG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.983,201-080-1,78-07-9,Triethoxy(ethyl)silane,triethoxy(ethyl)silane,CCO[Si](CC)(OCC)OCC,CCO[Si](CC)(OCC)OCC,"InChI=1/C8H20O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h5-8H2,1-4H3",C8H20O3Si,,,,,,DENFJSAFJTVPJR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.986,201-083-8,78-10-4,Tetraethyl orthosilicate,tetraethyl orthosilicate,CCO[Si](OCC)(OCC)OCC,CCO[Si](OCC)(OCC)OCC,"InChI=1/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3",C8H20O4Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14920,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.986,BOTDANWDWHJENH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.993,201-091-1,78-18-2,1-hydroperoxycyclohexyl 1-hydroxycyclohexyl peroxide,1-[(1-hydroperoxycyclohexyl)peroxy]cyclohexanol,OOC1(CCCCC1)OOC2(O)CCCCC2,OOC1(CCCCC1)OOC2(O)CCCCC2,"InChI=1/C12H22O5/c13-11(7-3-1-4-8-11)16-17-12(15-14)9-5-2-6-10-12/h13-14H,1-10H2",C12H22O5,,,,,,UICXTANXZJJIBC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.280,200-308-7,57-04-5,1-hydroxy-3-(phosphonooxy)acetone,3-hydroxy-2-oxopropyl dihydrogen phosphate,OCC(=O)COP(=O)(O)O,OCC(=O)COP(=O)(O)O,"InChI=1/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)",C3H7O6P,,,,,,GNGACRATGGDKBX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.283,200-311-3,57-09-0,Cetrimonium bromide,"N,N,N-trimethylhexadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C,[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1",C19H42N.Br,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10369,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.283,LZZYPRNAOMGNLH-UHFFFAOYSA-M,,,,,,,,,,,
100.000.290,200-319-7,57-24-9,Strychnine,strychnidin-10-one,O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2",C21H22N2O2,,,,,,QMGVPVSNSZLJIA-FVWCLLPLSA-N,,,,,,,,,,,
100.000.291,200-320-2,57-27-2,Morphine,"17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,"InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3",C17H19NO3,,,,,,BQJCRHHNABKAKU-KBQPJGBKSA-N,Positive,AU158001|AU158002|AU158003|AU158004|AU158005;EA274401|EA274402|EA274403|EA274404|EA274405|EA274406|EA274407|EA274408|EA274409|EA274410|EA274411|EA274412|EA274413|EA274414,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,286.1456:287.1488:288.1514|286.1457:287.1489:229.0869|286.1464:287.1492:201.0923|165.0707:181.0656:286.1458|153.0707:165.071:181.0663;201.0912:229.0861:268.1332|286.1441|286.144:229.0859:201.0919|286.1439:201.0911:229.0861|286.1437:201.0912:185.0598|181.0648:165.0699:153.0699|153.0699:165.07:181.065|286.144|286.1442:229.0862:268.1335|286.1442:201.0911:229.086|286.1439:201.0911:185.0598|181.0648:165.0699:185.0597|153.07:165.07:157.0649|201.0912:229.0861:268.1333,Athens_Univ;Eawag,,,,,
100.000.297,200-327-0,57-40-9,"1,1'-(phenylphosphonoyl)bis(2-methylaziridine)","1,1'-(phenylphosphoryl)bis(2-methylaziridine)",CC1CN1P(=O)(N2CC2C)c3ccccc3,CC1CN1P(=O)(N2CC2C)c3ccccc3,"InChI=1/C12H17N2OP/c1-10-8-13(10)16(15,14-9-11(14)2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3",C12H17N2OP,,,,,,YOYMEKJZSAQGNB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.298,200-328-6,57-41-0,Phenytoin,"5,5-diphenylimidazolidine-2,4-dione",O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,"InChI=1/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",C15H12N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18601,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.298,CXOFVDLJLONNDW-UHFFFAOYSA-N,Positive/Negative,EQ331901|EQ331902|EQ331903|EQ331904|EQ331905|EQ331906,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,182.0963:253.097:225.1021|182.0963:225.1021:253.097|182.0964:104.0494:132.0443|104.0494:182.0964:132.0443|104.0494:182.0964:95.0491|104.0494:95.0491:105.0445,Eawag,EQ331951|EQ331952|EQ331953|EQ331954|EQ331955|EQ331956,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,251.0826:208.0768:102.0349|251.0825:102.0349:208.0767|102.0349:208.0768:251.0826|102.0349:208.0768:146.0247|102.0349:146.0248:208.076|102.035:146.0248:121.0297,Eawag
100.000.299,200-329-1,57-42-1,Pethidine,ethyl 1-methyl-4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(C)CC1)c2ccccc2,CCOC(=O)C1(CCN(C)CC1)c2ccccc2,"InChI=1/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3",C15H21NO2,,,,,,XADCESSVHJOZHK-UHFFFAOYSA-N,Positive,EQ333101|EQ333102|EQ333103|EQ333104|EQ333105|EQ333106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,248.1646:174.1278:220.1334|248.1646:174.1278:220.1334|220.1333:248.1646:174.1278|220.1333:70.0651:174.1278|70.0651:174.1278:131.0856|70.0651:91.0542:103.0543,Eawag,,,,,
100.000.301,200-331-2,57-44-3,Barbital,"5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(CC)C(=O)NC(=O)NC1=O,CCC1(CC)C(=O)NC(=O)NC1=O,"InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)",C8H12N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17765,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.301,FTOAOBMCPZCFFF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.304,200-334-9,57-50-1,Sucrose,beta-D-fructofuranosyl alpha-D-glucopyranoside,OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2",C12H22O11,,,,,,CZMRCDWAGMRECN-UGDNZRGBSA-N,,,,,,,,,,,
100.000.306,200-337-5,57-53-4,Meprobamate,2-[(carbamoyloxy)methyl]-2-methylpentyl carbamate (non-preferred name),CCCC(C)(COC(=O)N)COC(=O)N,CCCC(C)(COC(=O)N)COC(=O)N,"InChI=1/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",C9H18N2O4,,,,,,NPPQSCRMBWNHMW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.314,200-345-9,57-67-0,Sulfaguanidine,4-amino-N-carbamimidoylbenzenesulfonamide,NC(=N)NS(=O)(=O)c1ccc(N)cc1,NC(=N)NS(=O)(=O)c1ccc(N)cc1,"InChI=1/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)",C7H10N4O2S,,,,,,BRBKOPJOKNSWSG-UHFFFAOYSA-N,Positive,mzcloud:5207,[M+H]+,HCD_Averaged,60.05563:65.0386:68.04947:80.04948:92.04948:108.0444:110.0600:156.01137:173.0379,HighChem,,,,,
100.000.320,200-352-7,57-87-4,Ergosterol,"ergosta-5,7,22-trien-3-ol",CC(C)[C@@H](C)\\C=C\\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3",C28H44O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18145,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.320,DNVPQKQSNYMLRS-APGDWVJJSA-N,,,,,,,,,,,
100.000.324,200-356-9,57-94-3,Tubocurarine chloride,"6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium-7',12'-diol chloride hydrochloride",Cl.[Cl-].COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4,Cl.[Cl-].COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4,"InChI=1/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H",C37H41N2O6.ClH.Cl,,,,,,GXFZCDMWGMFGFL-KKXMJGKMSA-N,,,,,,,,,,,
100.000.325,200-357-4,57-96-5,Sulfinpyrazone,"1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione",O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4,O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4,"InChI=1/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",C23H20N2O3S,,,,,,MBGGBVCUIVRRBF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.568,203-924-4,111-96-6,Bis(2-methoxyethyl) ether,1-methoxy-2-(2-methoxyethoxy)ethane,COCCOCCOC,COCCOCCOC,"InChI=1/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3",C6H14O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13478,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.568,SBZXBUIDTXKZTM-UHFFFAOYSA-N,Positive,EA064301|EA064302|EA064303|EA064304|EA064305|EA064306|EA064307|EA064308|EA064309|EA064310|EA064311|EA064312|EA064313|EA064314,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,103.0754:59.0491|103.0752:59.0491:135.1012|103.0753:59.0491:135.1017|59.0491:103.0753|59.0491:103.0753|59.0491:103.0753|59.0491|103.0753:59.0491:135.1016|103.0753:59.0491:135.1016|59.0491:103.0753|59.0491:103.0752:135.1022|59.0491:103.075|59.0491:135.101|103.0754:59.0492:135.1013,Eawag,,,,,
100.003.569,203-926-5,111-97-7,"3,3'-thiodipropiononitrile","3,3'-sulfanediyldipropanenitrile",N#CCCSCCC#N,N#CCCSCCC#N,"InChI=1/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2",C6H8N2S,,,,,,NDVLTZFQVDXFAN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.573,203-930-7,112-04-9,Trichloro(octadecyl)silane,trichloro(octadecyl)silane,CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C18H37Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3",C18H37Cl3Si,,,,,,PYJJCSYBSYXGQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.583,203-941-7,112-16-3,Lauroyl chloride,dodecanoyl chloride,CCCCCCCCCCCC(=O)Cl,CCCCCCCCCCCC(=O)Cl,"InChI=1/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3",C12H23ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1369,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.583,NQGIJDNPUZEBRU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.587,203-945-9,112-20-9,Nonylamine,nonan-1-amine,CCCCCCCCCN,CCCCCCCCCN,"InChI=1/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3",C9H21N,,,,,,FJDUDHYHRVPMJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.592,203-951-1,112-25-4,2-hexyloxyethanol,2-(hexyloxy)ethanol,CCCCCCOCCO,CCCCCCOCCO,"InChI=1/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3",C8H18O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2088,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.592,UPGSWASWQBLSKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.593,203-952-7,112-26-5,"1,2-bis(2-chloroethoxy)ethane",1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethane,ClCCOCCOCCCl,ClCCOCCOCCCl,InChI=1/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2,C6H12Cl2O2,,,,,,AGYUOJIYYGGHKV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.595,203-954-8,112-28-7,3-(3-methoxypropoxy)propanol,3-(3-methoxypropoxy)propan-1-ol,COCCCOCCCO,COCCCOCCCO,"InChI=1/C7H16O3/c1-9-5-3-7-10-6-2-4-8/h8H,2-7H2,1H3",C7H16O3,,,,,,QCAHUFWKIQLBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.600,203-960-0,112-33-4,2-[2-(3-aminopropoxy)ethoxy]ethanol,2-[2-(3-aminopropoxy)ethoxy]ethanol,NCCCOCCOCCO,NCCCOCCOCCO,"InChI=1/C7H17NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1-8H2",C7H17NO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12100,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.600,DCZMLYRQHBZWLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.157,204-571-9,122-74-7,3-phenylpropyl propionate,3-phenylpropyl propionate,CCC(=O)OCCCc1ccccc1,CCC(=O)OCCCc1ccccc1,"InChI=1/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",C12H16O2,,,,,,GTNCESCYZPMXCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.159,204-574-5,122-78-1,Phenylacetaldehyde,phenylacetaldehyde,O=CCc1ccccc1,O=CCc1ccccc1,"InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",C8H8O,,,,,,DTUQWGWMVIHBKE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.164,204-579-2,122-85-0,4'-formylacetanilide,N-(4-formylphenyl)acetamide,CC(=O)Nc1ccc(C=O)cc1,CC(=O)Nc1ccc(C=O)cc1,"InChI=1/C9H9NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-6H,1H3,(H,10,12)",C9H9NO2,,,,,,SKLUWKYNZNXSLX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.170,204-586-0,122-96-3,"Piperazine-1,4-diethanol","2,2'-piperazine-1,4-diyldiethanol",OCCN1CCN(CCO)CC1,OCCN1CCN(CCO)CC1,"InChI=1/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2",C8H18N2O2,,,,,,VARKIGWTYBUWNT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.181,204-598-6,123-07-9,4-ethylphenol,4-ethylphenol,CCc1ccc(O)cc1,CCc1ccc(O)cc1,"InChI=1/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3",C8H10O,,,,,,HXDOZKJGKXYMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.190,204-607-3,123-18-2,"2,6,8-trimethylnonan-4-one","2,6,8-trimethylnonan-4-one",CC(C)CC(C)CC(=O)CC(C)C,CC(C)CC(C)CC(=O)CC(C)C,"InChI=1/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3",C12H24O,,,,,,GFWVDQCGGDBTBS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.192,204-609-4,123-20-6,Vinyl butyrate,vinyl butyrate,CCCC(=O)OC=C,CCCC(=O)OC=C,"InChI=1/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3",C6H10O2,,,,,,MEGHWIAOTJPCHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.193,204-611-5,123-23-9,"4,4'-dioxo-4,4'-dioxydibutyric acid","4,4'-dioxybis(4-oxobutanoic acid)",OC(=O)CCC(=O)OOC(=O)CCC(=O)O,OC(=O)CCC(=O)OOC(=O)CCC(=O)O,"InChI=1/C8H10O8/c9-5(10)1-3-7(13)15-16-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)",C8H10O8,,,,,,MKTOIPPVFPJEQO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.195,204-613-6,123-26-2,"N,N'-ethane-1,2-diylbis(12-hydroxyoctadecan-1-amide)","N,N'-ethane-1,2-diylbis(12-hydroxyoctadecanamide)",CCCCCCC(O)CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCC(O)CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C38H76N2O4/c1-3-5-7-21-27-35(41)29-23-17-13-9-11-15-19-25-31-37(43)39-33-34-40-38(44)32-26-20-16-12-10-14-18-24-30-36(42)28-22-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)",C38H76N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12484,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.195,YLWQQYRYYZPZLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.202,204-620-4,123-34-2,"3-(allyloxy)propane-1,2-diol","3-(allyloxy)propane-1,2-diol",OCC(O)COCC=C,OCC(O)COCC=C,"InChI=1/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2",C6H12O3,,,,,,PAKCOSURAUIXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.657,201-822-4,88-34-6,"[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl chloride","[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl chloride",CCC(C)(C)c1ccc(OCC(=O)Cl)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCC(=O)Cl)c(c1)C(C)(C)CC,"InChI=1/C18H27ClO2/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3",C18H27ClO2,,,,,,KSYTWDUNKAIFLK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.667,201-833-4,88-46-0,"2,5-dihydroxybenzenesulphonic acid","2,5-dihydroxybenzenesulfonic acid",Oc1ccc(O)c(c1)S(=O)(=O)O,Oc1ccc(O)c(c1)S(=O)(=O)O,"InChI=1/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)",C6H6O5S,,,,,,IKQCSJBQLWJEPU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.677,201-844-4,88-62-0,3-aminotoluene-4-sulphonic acid,2-amino-4-methylbenzenesulfonic acid,Cc1ccc(c(N)c1)S(=O)(=O)O,Cc1ccc(c(N)c1)S(=O)(=O)O,"InChI=1/C7H9NO3S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO3S,,,,,,FJHGMUDVUAXUEK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.686,201-854-9,88-73-3,1-chloro-2-nitrobenzene,1-chloro-2-nitrobenzene,[O-][N+](=O)c1ccccc1Cl,[O-][N+](=O)c1ccccc1Cl,InChI=1/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,C6H4ClNO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2002,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.686,BFCFYVKQTRLZHA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.688,201-857-5,88-75-5,2-nitrophenol,2-nitrophenol,Oc1ccccc1[N+](=O)[O-],Oc1ccccc1[N+](=O)[O-],"InChI=1/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H",C6H5NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10933,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.688,IQUPABOKLQSFBK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.689,201-858-0,88-76-6,4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid,"4-chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=O)C1)c2cc(ccc2Cl)S(=O)(=O)O,CC1=NN(C(=O)C1)c2cc(ccc2Cl)S(=O)(=O)O,"InChI=1/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)",C10H9ClN2O4S,,,,,,UWLNKHDLVZEYKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.695,201-864-3,88-88-0,"2-chloro-1,3,5-trinitrobenzene","2-chloro-1,3,5-trinitrobenzene",[O-][N+](=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,C6H2ClN3O6,,,,,,HJRJRUMKQCMYDL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.697,201-866-4,88-90-4,"2,6-dinitro-p-toluenesulphonic acid","4-methyl-2,6-dinitrobenzenesulfonic acid",Cc1cc(c(c(c1)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-],Cc1cc(c(c(c1)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C7H6N2O7S/c1-4-2-5(8(10)11)7(17(14,15)16)6(3-4)9(12)13/h2-3H,1H3,(H,14,15,16)",C7H6N2O7S,,,,,,AZAOMIDKMZHOPH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.698,201-868-5,88-91-5,"4-chloro-3,5-dinitrobenzenesulphonic acid","4-chloro-3,5-dinitrobenzenesulfonic acid",OS(=O)(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],OS(=O)(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3ClN2O7S/c7-6-4(8(10)11)1-3(17(14,15)16)2-5(6)9(12)13/h1-2H,(H,14,15,16)",C6H3ClN2O7S,,,,,,ALVPDCHBQRCKRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.700,201-870-6,88-96-0,Phthalamide,phthalamide,NC(=O)c1ccccc1C(=O)N,NC(=O)c1ccccc1C(=O)N,"InChI=1/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)",C8H8N2O2,,,,,,NAYYNDKKHOIIOD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.704,201-874-8,89-00-9,"Pyridine-2,3-dicarboxylic acid","pyridine-2,3-dicarboxylic acid",OC(=O)c1cccnc1C(=O)O,OC(=O)c1cccnc1C(=O)O,"InChI=1/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",C7H5NO4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7893,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.704,GJAWHXHKYYXBSV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.707,201-877-4,89-04-3,"Trioctyl benzene-1,2,4-tricarboxylate","trioctyl benzene-1,2,4-tricarboxylate",CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(c1)C(=O)OCCCCCCCC,CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(c1)C(=O)OCCCCCCCC,"InChI=1/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3",C33H54O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16120,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.707,JNXDCMUUZNIWPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.713,201-884-2,89-16-7,Bis(8-methylnonyl) phthalate,bis(8-methylnonyl) phthalate,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,"InChI=1/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3",C28H46O4,,,,,,ZVFDTKUVRCTHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.715,201-886-3,89-20-3,4-chlorophthalic acid,4-chlorophthalic acid,OC(=O)c1ccc(Cl)cc1C(=O)O,OC(=O)c1ccc(Cl)cc1C(=O)O,"InChI=1/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5ClO4,,,,,,DVIPPHSQIBKWSA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.719,201-891-0,89-25-8,3-methyl-1-phenyl-5-pyrazolone,"5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2ccccc2,CC1=NN(C(=O)C1)c2ccccc2,"InChI=1/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3",C10H10N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10778,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.719,QELUYTUMUWHWMC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.724,201-896-8,89-30-5,"1,4-dibutoxy-2-chloro-5-nitrobenzene","1,4-dibutoxy-2-chloro-5-nitrobenzene",CCCCOc1cc(c(OCCCC)cc1Cl)[N+](=O)[O-],CCCCOc1cc(c(OCCCC)cc1Cl)[N+](=O)[O-],"InChI=1/C14H20ClNO4/c1-3-5-7-19-13-10-12(16(17)18)14(9-11(13)15)20-8-6-4-2/h9-10H,3-8H2,1-2H3",C14H20ClNO4,,,,,,BFTZBYNTVYQUNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.736,201-909-7,89-46-3,Menthyl salicylate,2-isopropyl-5-methylcyclohexyl salicylate,O=C(OC1CC(C)CCC1C(C)C)c2ccccc2O,O=C(OC1CC(C)CCC1C(C)C)c2ccccc2O,"InChI=1/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3",C17H24O3,,,,,,SJOXEWUZWQYCGL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.994,201-092-7,78-19-3,"3,9-divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane","3,9-divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane",C=CC1OCC2(COC(OC2)C=C)CO1,C=CC1OCC2(COC(OC2)C=C)CO1,"InChI=1/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4,9-10H,1-2,5-8H2",C11H16O4,,,,,,OOXMQACSWCZQLX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.996,201-094-8,78-21-7,4-ethyl-4-hexadecylmorpholinium ethyl sulphate,4-ethyl-4-hexadecylmorpholin-4-ium ethyl sulfate,CCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1.CCOS(=O)(=O)[O-],"InChI=1/C22H46NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C22H46NO.C2H5O4S,,,,,,QDQHWKZZJJDBND-UHFFFAOYSA-M,,,,,,,,,,,
100.001.003,201-103-5,78-30-8,Tri-o-tolyl phosphate,tris(2-methylphenyl) phosphate,Cc1ccccc1OP(=O)(Oc2ccccc2C)Oc3ccccc3C,Cc1ccccc1OP(=O)(Oc2ccccc2C)Oc3ccccc3C,"InChI=1/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3",C21H21O4P,,,,,,YSMRWXYRXBRSND-UHFFFAOYSA-N,Positive,SM883201,[M+H]+,HCD35,369.1252:166.0777:91.0542,CASMI_2016,,,,,
100.001.009,201-109-8,78-36-4,Linalyl butyrate,"1,5-dimethyl-1-vinylhex-4-en-1-yl butyrate",CCCC(=O)OC(C)(CCC=C(C)C)C=C,CCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3",C14H24O2,,,,,,FHLGUOHLUFIAAA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.012,201-112-4,78-39-7,Triethyl orthoacetate,"1,1,1-triethoxyethane",CCOC(C)(OCC)OCC,CCOC(C)(OCC)OCC,"InChI=1/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3",C8H18O3,,,,,,NDQXKKFRNOPRDW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.014,201-115-0,78-41-1,Triparanol,2-(4-chlorophenyl)-1-{4-[2-(diethylamino)ethoxy]phenyl}-1-(4-methylphenyl)ethanol,CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccc(Cl)cc2)c3ccc(C)cc3,CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccc(Cl)cc2)c3ccc(C)cc3,"InChI=1/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3",C27H32ClNO2,,,,,,SYHDSBBKRLVLFF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.016,201-117-1,78-43-3,"Tris(2,3-dichloropropyl) phosphate","tris(2,3-dichloropropyl) phosphate",ClCC(Cl)COP(=O)(OCC(Cl)CCl)OCC(Cl)CCl,ClCC(Cl)COP(=O)(OCC(Cl)CCl)OCC(Cl)CCl,"InChI=1/C9H15Cl6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2",C9H15Cl6O4P,,,,,,JZZBTMVTLBHJHL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.024,201-126-0,78-59-1,"3,5,5-trimethylcyclohex-2-enone","3,5,5-trimethylcyclohex-2-en-1-one",CC1=CC(=O)CC(C)(C)C1,CC1=CC(=O)CC(C)(C)C1,"InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3",C9H14O,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14527,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.024,HJOVHMDZYOCNQW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.034,201-137-0,78-73-9,Choline hydrogen carbonate,"2-hydroxy-N,N,N-trimethylethanaminium hydrogen carbonate",C[N+](C)(C)CCO.[O-]C(=O)[O-],C[N+](C)(C)CCO.[O-]C(=O)[O-],"InChI=1/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-2",C5H14NO.CHO3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11430,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.034,DQKGOGJIOHUEGK-UHFFFAOYSA-L,,,,,,,,,,,
100.001.039,201-142-8,78-78-4,2-methylbutane,isopentane,CCC(C)C,CCC(C)C,"InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3",C5H12,Full,Joint,100000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15838,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.039,QWTDNUCVQCZILF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.048,201-152-2,78-87-5,"1,2-dichloropropane","1,2-dichloropropane",CC(Cl)CCl,CC(Cl)CCl,"InChI=1/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3",C3H6Cl2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13586,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.048,KNKRKFALVUDBJE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.049,201-153-8,78-88-6,"2,3-dichloropropene","2,3-dichloroprop-1-ene",ClCC(=C)Cl,ClCC(=C)Cl,InChI=1/C3H4Cl2/c1-3(5)2-4/h1-2H2,C3H4Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12566,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.049,FALCMQXTWHPRIH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.055,201-160-6,78-94-4,Butenone,but-3-en-2-one,CC(=O)C=C,CC(=O)C=C,"InChI=1/C4H6O/c1-3-4(2)5/h3H,1H2,2H3",C4H6O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10900,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.055,FUSUHKVFWTUUBE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.061,201-166-9,79-00-5,"1,1,2-trichloroethane","1,1,2-trichloroethane",ClCC(Cl)Cl,ClCC(Cl)Cl,"InChI=1/C2H3Cl3/c3-1-2(4)5/h2H,1H2",C2H3Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1878,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.061,UBOXGVDOUJQMTN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.069,201-175-8,79-08-3,Bromoacetic acid,acetyl bromide,BrC(C)=O,BrC(C)=O,InChI=1/C2H3BrO/c1-2(3)4/h1H3,C2H3BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13566,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.069,FXXACINHVKSMDR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.070,201-176-3,79-09-4,Propionic acid,propionic acid,CCC(=O)O,CCC(=O)O,"InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",C3H6O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14128,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.070,XBDQKXXYIPTUBI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.071,201-177-9,79-10-7,Acrylic acid,acrylic acid,OC(=O)C=C,OC(=O)C=C,"InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)",C3H4O2,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15803,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.071,NIXOWILDQLNWCW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.073,201-180-5,79-14-1,Glycollic acid,glycol acid,OCC(=O)O,OCC(=O)O,"InChI=1/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)",C2H4O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14561,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.073,AEMRFAOFKBGASW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.078,201-185-2,79-20-9,Methyl acetate,methyl acetate,COC(=O)C,COC(=O)C,InChI=1/C3H6O2/c1-3(4)5-2/h1-2H3,C3H6O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15222,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.078,KXKVLQRXCPHEJC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.079,201-186-8,79-21-0,Peracetic acid,ethaneperoxoic acid,CC(=O)OO,CC(=O)OO,"InChI=1/C2H4O3/c1-2(3)5-4/h4H,1H3",C2H4O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14885,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.079,KFSLWBXXFJQRDL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.327,200-360-0,58-00-4,Apomorphine,"6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol",CN1CCc2cccc3c2C1Cc4ccc(O)c(O)c34,CN1CCc2cccc3c2C1Cc4ccc(O)c(O)c34,"InChI=1/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3",C17H17NO2,,,,,,VMWNQDUVQKEIOC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.333,200-366-3,58-18-4,Methyltestosterone,17-hydroxy-17-methylandrost-4-en-3-one,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3",C20H30O2,,,,,,GCKMFJBGXUYNAG-HLXURNFRSA-N,,,,,,,,,,,
100.000.339,200-373-1,58-28-6,Desipramine hydrochloride,"3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride",Cl.CNCCCN1c2ccccc2CCc3ccccc13,Cl.CNCCCN1c2ccccc2CCc3ccccc13,"InChI=1/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H",C18H22N2.ClH,,,,,,XAEWZDYWZHIUCT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.347,200-382-0,58-40-2,Promazine,"N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine",CN(C)CCCN1c2ccccc2Sc3ccccc13,CN(C)CCCN1c2ccccc2Sc3ccccc13,"InChI=1/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3",C17H20N2S,,,,,,ZGUGWUXLJSTTMA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.355,200-390-4,58-63-9,Inosine,9-beta-D-ribofuranosyl-9H-purin-6-ol,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(O)ncnc23,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(O)ncnc23,"InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)",C10H12N4O5,,,,,,UGQMRVRMYYASKQ-KQYNXXCUSA-N,,,,,,,,,,,
100.000.360,200-396-7,58-73-1,Diphenhydramine,"2-(diphenylmethoxy)-N,N-dimethylethanamine",CN(C)CCOC(c1ccccc1)c2ccccc2,CN(C)CCOC(c1ccccc1)c2ccccc2,"InChI=1/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3",C17H21NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12086,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.360,ZZVUWRFHKOJYTH-UHFFFAOYSA-N,Positive/Negative,SM858902;EQ335201|EQ335202|EQ335203|EQ335204|EQ335205|EQ335206|EQ335207|EQ335208|EQ335209;UF411603|UF411604,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;CID35|CID55,296.0699:134.06:198.0218;167.0855:88.0757:165.0695|167.0855:165.0698:88.0756|167.0855:165.07:152.0621|167.0855:165.07:152.0621|152.0621:165.07:167.0855|165.0699:152.0621:166.0777|165.0699:152.0621:128.0621|165.0699:152.0621:115.0543|165.0699:115.0543:163.0543;167.0856|167.0856,CASMI_2016;Eawag;UFZ,SM858951,[M-H]-,HCD35,198.0231:134.061:294.0555,CASMI_2016
100.000.361,200-397-2,58-74-2,Papaverine,"1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",C20H21NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18037,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.361,XQYZDYMELSJDRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.367,200-403-3,58-93-5,Hydrochlorothiazide,"6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,"InChI=1/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",C7H8ClN3O4S2,,,,,,JZUFKLXOESDKRF-UHFFFAOYSA-N,Positive/Negative,EA261001|EA261002|EA261003|EA261004|EA261005|EA261006|EA261007|EA261008|EA261009|EA261010|EA261011|EA261012|EA261013|EA261014,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,280.9452:268.945|280.9454:297.9711:232.9785|280.9453:232.9781:216.983|232.9781:216.983:203.9514|139.9899:203.9517:142.9591|139.9898:107.9902:125.0027|139.9898:107.9903:125.0025|280.9451:297.9718:232.9782|280.9452:232.9782:216.9834|232.9782:216.9833:203.9516|139.9898:203.9516:107.9903|139.9898:107.9903:125.0027|139.9897:107.9903:125.0027|280.9451:268.9451:286.9556,Eawag,EA261051|EA261052|EA261053|EA261054|EA261055|EA261056|EA261057|EA261058|EA261059|EA261060|EA261061|EA261062|EA261063|EA261064;TUE00375|TUE00376|TUE00377,[M-H]-;[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V,268.9464:204.9846:231.9952|295.9572|295.9571:268.9461:204.9842|204.9847:268.9467:77.9656|77.9656:204.9843:126.0117|77.9656:126.0116:121.0406|77.9656:123.9959|295.9571|295.957:268.9461:204.9843|204.9845:268.9462:295.9571|77.9655:204.9841:126.0118|77.9655:126.0114:121.0404|77.9656:123.9959:126.0114|268.9462:204.9843:231.9951;295.957:268.9461:204.9843|268.9463:204.9843:295.9566|77.9655:126.0116:121.0407,Eawag;Env_Anal_Chem_U_Tuebingen
100.000.368,200-404-9,58-94-6,Chlorothiazide,"6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,"InChI=1/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)",C7H6ClN3O4S2,,,,,,JBMKAUGHUNFTOL-UHFFFAOYSA-N,Positive/Negative,EQ325601|EQ325602|EQ325603|EQ325604|EQ325605|EQ325606|EQ325607|EQ325608|EQ325609,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,295.9559:278.9295:286.9555|295.956:278.9295:204.9834|204.9834:278.9296:230.9626|141.9513:139.9897:157.0163|139.9897:155.9846:141.9513|97.9792:117.0447:155.9846|117.0447:89.026:96.984|63.0229:62.0151:90.0339|63.0229:62.0151:72.9839,Eawag,EQ325651|EQ325652|EQ325653|EQ325654|EQ325655|EQ325656|EQ325657|EQ325658|EQ325659,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,293.9416|293.9415:213.9605:214.9688|293.9416:213.9611:214.9689|213.961:214.9689:293.9418|213.961:178.9922:214.9689|178.9922:213.9611:115.0302|178.9922:115.0303:113.0146|115.0302:178.9922:65.0146|65.0146:50.0036:115.0303,Eawag
100.000.379,200-416-4,59-23-4,Galactose,D-galactose,O[C@H]([C@@H](O)C=O)[C@@H](O)[C@H](O)CO,O[C@H]([C@@H](O)C=O)[C@@H](O)[C@H](O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-KCDKBNATSA-N,,,,,,,,,,,
100.000.381,200-419-0,59-30-3,Folic acid,"N-(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid",NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2N1,NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2N1,"InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)",C19H19N7O6,,,,,,OVBPIULPVIDEAO-LBPRGKRZSA-N,,,,,,,,,,,
100.000.388,200-426-9,59-46-1,Procaine,2-(diethylamino)ethyl 4-aminobenzoate,O=C(OCCN(CC)CC)c1ccc(N)cc1,O=C(OCCN(CC)CC)c1ccc(N)cc1,"InChI=1/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3",C13H20N2O2,,,,,,MFDFERRIHVXMIY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.389,200-427-4,59-47-2,Mephenesin,"3-(2-methylphenoxy)propane-1,2-diol",Cc1ccccc1OCC(O)CO,Cc1ccccc1OCC(O)CO,"InChI=1/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3",C10H14O3,,,,,,JWDYCNIAQWPBHD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.391,200-430-0,59-49-4,2(3H)-benzoxazolone,"1,3-benzoxazol-2(3H)-one",O=C1Nc2ccccc2O1,O=C1Nc2ccccc2O1,"InChI=1/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",C7H5NO2,,,,,,ASSKVPFEZFQQNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.406,200-446-8,59-96-1,Phenoxybenzamine,N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine,CC(COc1ccccc1)N(CCCl)Cc2ccccc2,CC(COc1ccccc1)N(CCCl)Cc2ccccc2,"InChI=1/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3",C18H22ClNO,,,,,,QZVCTJOXCFMACW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.418,200-459-9,60-17-3,4-fluorophenylalanine,4-fluorophenylalanine,NC(Cc1ccc(F)cc1)C(=O)O,NC(Cc1ccc(F)cc1)C(=O)O,"InChI=1/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10FNO2,,,,,,XWHHYOYVRVGJJY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.203,204-622-5,123-35-3,"7-methyl-3-methyleneocta-1,6-diene","7-methyl-3-methyleneocta-1,6-diene",CC(=CCCC(=C)C=C)C,CC(=CCCC(=C)C=C)C,"InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",C10H16,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14795,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.203,UAHWPYUMFXYFJY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.205,204-624-6,123-39-7,N-methylformamide,N-methylformamide,CNC=O,CNC=O,"InChI=1/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)",C2H5NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6092,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.205,ATHHXGZTWNVVOU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.219,204-639-8,123-63-7,"2,4,6-trimethyl-1,3,5-trioxane","2,4,6-trimethyl-1,3,5-trioxane",CC1OC(C)OC(C)O1,CC1OC(C)OC(C)O1,"InChI=1/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",C6H12O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11337,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.219,SQYNKIJPMDEDEG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.223,204-644-5,123-69-3,Hexadec-7-en-16-olide,oxacycloheptadec-8-en-2-one,O=C1CCCCCC=CCCCCCCCCO1,O=C1CCCCCC=CCCCCCCCCO1,"InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2",C16H28O2,,,,,,NVIPUOMWGQAOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.227,204-648-7,123-75-1,Pyrrolidine,pyrrolidine,C1CCNC1,C1CCNC1,"InChI=1/C4H9N/c1-2-4-5-3-1/h5H,1-4H2",C4H9N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5444,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.227,RWRDLPDLKQPQOW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.237,204-659-7,123-88-6,2-methoxyethylmercury chloride,(2-methoxyethyl)mercury(1+) chloride,[Cl-].COCC[Hg+],[Cl-].COCC[Hg+],"InChI=1/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1/rC3H7HgO.ClH/c1-5-3-2-4;/h2-3H2,1H3;1H/q+1;/p-1",C3H7ClHgO,,,,,,VJTAZCKMHINUKO-UHFFFAOYSA-M,,,,,,,,,,,
100.004.240,204-662-3,123-92-2,Isopentyl acetate,3-methylbutyl acetate,CC(C)CCOC(=O)C,CC(C)CCOC(=O)C,"InChI=1/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3",C7H14O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13689,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.240,MLFHJEHSLIIPHL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.241,204-663-9,123-93-3,Thiodi(acetic acid),"2,2'-sulfanediyldiacetic acid",OC(=O)CSCC(=O)O,OC(=O)CSCC(=O)O,"InChI=1/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",C4H6O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11142,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.241,UVZICZIVKIMRNE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.243,204-666-5,123-95-5,Butyl stearate,butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3",C22H44O2,,,,,,ULBTUVJTXULMLP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.244,204-667-0,123-96-6,Octan-2-ol,octan-2-ol,CCCCCCC(C)O,CCCCCCC(C)O,"InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",C8H18O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14450,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.244,SJWFXCIHNDVPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.246,204-669-1,123-99-9,Azelaic acid,azelaic acid,OC(=O)CCCCCCCC(=O)O,OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",C9H16O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13411,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.246,BDJRBEYXGGNYIS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.250,204-673-3,124-04-9,Adipic acid,adipic acid,OC(=O)CCCCC(=O)O,OC(=O)CCCCC(=O)O,"InChI=1/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)",C6H10O4,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15464,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.250,WNLRTRBMVRJNCN-UHFFFAOYSA-N,Negative,,,,,,ML002451,[M-H]-,HCD50,145.0506:101.0608:83.0502,MetaboLights
100.004.258,204-682-2,124-12-9,Octanenitrile,octanenitrile,CCCCCCCC#N,CCCCCCCC#N,"InChI=1/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3",C8H15N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5552,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.258,YSIMAPNUZAVQER-UHFFFAOYSA-N,,,,,,,,,,,
100.004.260,204-684-3,124-16-3,1-(2-butoxyethoxy)propan-2-ol,1-(2-butoxyethoxy)propan-2-ol,CCCCOCCOCC(C)O,CCCCOCCOCC(C)O,"InChI=1/C9H20O3/c1-3-4-5-11-6-7-12-8-9(2)10/h9-10H,3-8H2,1-2H3",C9H20O3,,,,,,NPMRPDRLIHYOBW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.261,204-685-9,124-17-4,2-(2-butoxyethoxy)ethyl acetate,2-(2-butoxyethoxy)ethyl acetate,CCCCOCCOCCOC(=O)C,CCCCOCCOCCOC(=O)C,"InChI=1/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3",C10H20O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14826,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.261,VXQBJTKSVGFQOL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.266,204-691-1,124-23-2,Hexadecyltrimethylammonium stearate,"N,N,N-trimethylhexadecan-1-aminium stearate",CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C,CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C19H42N.C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-19H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1",C19H42N.C18H35O2,,,,,,DXQWPBNWAKTXPF-UHFFFAOYSA-M,,,,,,,,,,,
100.004.269,204-694-8,124-28-7,Dimantine,"N,N-dimethyloctadecan-1-amine",CCCCCCCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCCCCCN(C)C,"InChI=1/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3",C20H43N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14746,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.269,NAPSCFZYZVSQHF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.273,204-699-5,124-41-4,Sodium methanolate,sodium methanolate,[Na+].C[O-],[Na+].C[O-],InChI=1/CH3O.Na/c1-2;/h1H3;/q-1;+1,CH4O.Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14236,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.273,WQDUMFSSJAZKTM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.275,204-701-4,124-43-6,Hydrogen peroxide--urea,hydrogen peroxide - urea (1:1),NC(=O)N.OO,NC(=O)N.OO,"InChI=1/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H",CH4N2O.H2O2,,,,,,AQLJVWUFPCUVLO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.276,204-703-5,124-47-0,Urea nitrate,urea nitrate,NC(=O)N.O[N+](=O)[O-],NC(=O)N.O[N+](=O)[O-],"InChI=1/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4)",CH4N2O.HNO3,,,,,,AYTGUZPQPXGYFS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.739,201-912-3,89-50-9,2-(ethylamino)benzoic acid,2-(ethylamino)benzoic acid,CCNc1ccccc1C(=O)O,CCNc1ccccc1C(=O)O,"InChI=1/C9H11NO2/c1-2-10-8-6-4-3-5-7(8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)",C9H11NO2,,,,,,SPEGUNZOHLFGCL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.740,201-913-9,89-51-0,(2-carboxyphenyl)acetic acid,2-(carboxymethyl)benzoic acid,OC(=O)Cc1ccccc1C(=O)O,OC(=O)Cc1ccccc1C(=O)O,"InChI=1/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)",C9H8O4,,,,,,ZHQLTKAVLJKSKR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.744,201-918-6,89-56-5,6-hydroxy-m-toluic acid,2-hydroxy-5-methylbenzoic acid,Cc1ccc(O)c(c1)C(=O)O,Cc1ccc(O)c(c1)C(=O)O,"InChI=1/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)",C8H8O3,,,,,,DLGBEGBHXSAQOC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.746,201-920-7,89-58-7,2-nitro-p-xylene,"1,4-dimethyl-2-nitrobenzene",Cc1ccc(C)c(c1)[N+](=O)[O-],Cc1ccc(C)c(c1)[N+](=O)[O-],"InChI=1/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3",C8H9NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10048,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.746,BSFHJMGROOFSRA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.748,201-922-8,89-60-1,4-chloro-3-nitrotoluene,1-chloro-4-methyl-2-nitrobenzene,Cc1ccc(Cl)c(c1)[N+](=O)[O-],Cc1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",C7H6ClNO2,,,,,,NWESJZZPAJGHRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.750,201-924-9,89-62-3,2-nitro-p-toluidine,4-methyl-2-nitroaniline,Cc1ccc(N)c(c1)[N+](=O)[O-],Cc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3",C7H8N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5546,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.750,DLURHXYXQYMPLT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.757,201-932-2,89-71-4,Methyl o-toluate,methyl 2-methylbenzoate,COC(=O)c1ccccc1C,COC(=O)c1ccccc1C,"InChI=1/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3",C9H10O2,,,,,,WVWZECQNFWFVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.766,201-942-7,89-81-6,6-isopropyl-3-methylcyclohex-2-enone,6-isopropyl-3-methylcyclohex-2-en-1-one,CC(C)C1CCC(=CC1=O)C,CC(C)C1CCC(=CC1=O)C,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16299,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.766,YSTPAHQEHQSRJD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.786,201-964-7,90-05-1,Guaiacol,2-methoxyphenol,COc1ccccc1O,COc1ccccc1O,"InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",C7H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9979,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.786,LHGVFZTZFXWLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.788,201-966-8,90-12-0,1-methylnaphthalene,1-methylnaphthalene,Cc1cccc2ccccc12,Cc1cccc2ccccc12,"InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3",C11H10,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1572,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.788,QPUYECUOLPXSFR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.796,201-975-7,90-20-0,"4-amino-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-5-hydroxynaphthalene-2,7-disulfonic acid",Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)",C10H9NO7S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11150,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.796,APRRQJCCBSJQOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.797,201-976-2,90-21-1,"4-chloro-5-hydroxynaphthalene-2,7-disulphonic acid","4-chloro-5-hydroxynaphthalene-2,7-disulfonic acid",Oc1cc(cc2cc(cc(Cl)c12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2cc(cc(Cl)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H7ClO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,(H,13,14,15)(H,16,17,18)",C10H7ClO7S2,,,,,,PGAVDCUYQQGYAK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.800,201-979-9,90-25-5,"1-chloro-3,5-dimethoxy-2-nitrobenzene","1-chloro-3,5-dimethoxy-2-nitrobenzene",COc1cc(Cl)c(c(OC)c1)[N+](=O)[O-],COc1cc(Cl)c(c(OC)c1)[N+](=O)[O-],"InChI=1/C8H8ClNO4/c1-13-5-3-6(9)8(10(11)12)7(4-5)14-2/h3-4H,1-2H3",C8H8ClNO4,,,,,,VHLPIOGWYXZJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.801,201-980-4,90-26-6,2-phenylbutyramide,2-phenylbutanamide,CCC(C(=O)N)c1ccccc1,CCC(C(=O)N)c1ccccc1,"InChI=1/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)",C10H13NO,,,,,,UNFGQCCHVMMMRF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.810,201-990-9,90-41-5,Biphenyl-2-ylamine,biphenyl-2-amine,Nc1ccccc1c2ccccc2,Nc1ccccc1c2ccccc2,"InChI=1/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2",C12H11N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17706,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.810,TWBPWBPGNQWFSJ-UHFFFAOYSA-N,Positive,SM801001,[M+H]+,HCD35,170.0963:153.0698:143.0855,CASMI_2016,,,,,
100.001.812,201-993-5,90-43-7,Biphenyl-2-ol,biphenyl-2-ol,Oc1ccccc1c2ccccc2,Oc1ccccc1c2ccccc2,"InChI=1/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",C12H10O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2168,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.812,LLEMOWNGBBNAJR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.819,202-000-8,90-51-7,6-amino-4-hydroxynaphthalene-2-sulphonic acid,6-amino-4-hydroxynaphthalene-2-sulfonic acid,Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10209,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.819,HBZVNWNSRNTWPS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.825,202-007-6,90-64-2,Mandelic acid,hydroxy(phenyl)acetic acid,OC(C(=O)O)c1ccccc1,OC(C(=O)O)c1ccccc1,"InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)",C8H8O3,,,,,,IWYDHOAUDWTVEP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.826,202-008-1,90-65-3,"3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid","3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid",O=C(O)C=C(OC)C(=O)C(C)=C,O=C(O)C=C(OC)C(=O)C(C)=C,"InChI=1/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)",C8H10O4,,,,,,VOUGEZYPVGAPBB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.082,201-189-4,79-25-4,Hydroxymethanesulphinic acid,hydroxymethanesulfinic acid,OCS(=O)O,OCS(=O)O,"InChI=1/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)",CH4O3S,,,,,,SBGKURINHGJRFN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.084,201-192-0,79-28-7,Tetrabromoethylene,tetrabromoethene,BrC(=C(Br)Br)Br,BrC(=C(Br)Br)Br,InChI=1/C2Br4/c3-1(4)2(5)6,C2Br4,,,,,,OVRRJBSHBOXFQE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.085,201-193-6,79-29-8,"2,3-dimethylbutane","2,3-dimethylbutane",CC(C)C(C)C,CC(C)C(C)C,"InChI=1/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3",C6H14,,,,,,ZFFMLCVRJBZUDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.095,201-203-9,79-40-3,Dithiooxamide,ethanebis(thioamide),NC(=S)C(=S)N,NC(=S)C(=S)N,"InChI=1/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)",C2H4N2S2,,,,,,OAEGRYMCJYIXQT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.100,201-209-1,79-46-9,2-nitropropane,2-nitropropane,CC(C)[N+](=O)[O-],CC(C)[N+](=O)[O-],"InChI=1/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3",C3H7NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12799,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.100,FGLBSLMDCBOPQK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.101,201-210-7,79-50-5,"(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one","3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one",CC1(C)COC(=O)C1O,CC1(C)COC(=O)C1O,"InChI=1/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3",C6H10O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16642,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.101,SERHXTVXHNVDKA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.104,201-213-3,79-61-8,Dichlorisone 21-acetate,"9,11-dichloro-17-hydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C,"InChI=1/C23H28Cl2O5/c1-13(26)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(27)6-8-20(14,2)23(17,25)18(24)11-21(16,22)3/h6,8,10,16-18,29H,4-5,7,9,11-12H2,1-3H3",C23H28Cl2O5,,,,,,YNNURTVKPVJVEI-GSLJADNHSA-N,,,,,,,,,,,
100.001.111,201-221-7,79-72-1,4-aminotoluene-2-sulphonanilide,5-amino-2-methyl-N-phenylbenzenesulfonamide,Cc1ccc(N)cc1S(=O)(=O)Nc2ccccc2,Cc1ccc(N)cc1S(=O)(=O)Nc2ccccc2,"InChI=1/C13H14N2O2S/c1-10-7-8-11(14)9-13(10)18(16,17)15-12-5-3-2-4-6-12/h2-9,15H,14H2,1H3",C13H14N2O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18509,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.111,HCAKHJQTCPZXPR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.118,201-229-0,79-83-4,D-pantothenic acid,"N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,"InChI=1/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",C9H17NO5,,,,,,GHOKWGTUZJEAQD-ZETCQYMHSA-N,,,,,,,,,,,
100.001.120,201-231-1,79-89-0,"3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one","3-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one",CC1(C)CCCC(\\C)=C1\\C=C(C)C(C)=O,CC1(C)CCCC(\C)=C1\C=C(C)C(C)=O,"InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3",C14H22O,,,,,,NSSHGPBKKVJJMM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.121,201-232-7,79-90-3,Triclobisonium chloride,"N,N,N',N'-tetramethyl-N,N'-bis[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]hexane-1,6-diaminium dichloride",[Cl-].[Cl-].CC(CCC1C(C)CCCC1(C)C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(C)CCCC2(C)C,[Cl-].[Cl-].CC(CCC1C(C)CCCC1(C)C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(C)CCCC2(C)C,"InChI=1/C36H74N2.2ClH/c1-29-19-17-25-35(5,6)33(29)23-21-31(3)37(9,10)27-15-13-14-16-28-38(11,12)32(4)22-24-34-30(2)20-18-26-36(34,7)8;;/h29-34H,13-28H2,1-12H3;2*1H/q+2;;/p-2",C36H74N2.2Cl,,,,,,JMTNOKRGERWNME-UHFFFAOYSA-L,,,,,,,,,,,
100.001.125,201-236-9,79-94-7,"2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol","4,4'-propane-2,2-diylbis(2,6-dibromophenol)",CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,"InChI=1/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3",C15H12Br4O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14760,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.125,VEORPZCZECFIRK-UHFFFAOYSA-N,Negative,,,,,,SM863853,[M-H]-,HCD35,538.7499:288.887:443.8019,CASMI_2016
100.001.127,201-239-5,79-96-9,"4,4'-isopropylidenebis(o-tert-butylphenol)","4,4'-propane-2,2-diylbis(2-tert-butylphenol)",CC(C)(C)c1cc(ccc1O)C(C)(C)c2ccc(O)c(c2)C(C)(C)C,CC(C)(C)c1cc(ccc1O)C(C)(C)c2ccc(O)c(c2)C(C)(C)C,"InChI=1/C23H32O2/c1-21(2,3)17-13-15(9-11-19(17)24)23(7,8)16-10-12-20(25)18(14-16)22(4,5)6/h9-14,24-25H,1-8H3",C23H32O2,,,,,,ZDRSNHRWLQQICP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.129,201-241-6,79-98-1,"4,4'-isopropylidenebis[o-chlorophenol]","4,4'-propane-2,2-diylbis(2-chlorophenol)",CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2,CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2,"InChI=1/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3",C15H14Cl2O2,,,,,,XBQRPFBBTWXIFI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.422,200-464-6,60-24-2,2-mercaptoethanol,2-sulfanylethanol,OCCS,OCCS,"InChI=1/C2H6OS/c3-1-2-4/h3-4H,1-2H2",C2H6OS,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2206,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.422,DGVVWUTYPXICAM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.423,200-465-1,60-25-3,Hexamethonium chloride,"N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(C)CCCCCC[N+](C)(C)C,[Cl-].[Cl-].C[N+](C)(C)CCCCCC[N+](C)(C)C,"InChI=1/C12H30N2.2ClH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",C12H30N2.2Cl,,,,,,PYIHTIJNCRKDBV-UHFFFAOYSA-L,,,,,,,,,,,
100.000.424,200-466-7,60-27-5,2-imino-1-methylimidazolidin-4-one,2-imino-1-methylimidazolidin-4-one,CN1CC(=O)NC1=N,CN1CC(=O)NC1=N,"InChI=1/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)",C4H7N3O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16337,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.424,DDRJAANPRJIHGJ-UHFFFAOYSA-N,Positive,SM868004;UF412501|UF412502|UF412503|UF412504,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,114.0662:86.0713:58.0653;98.0716|98.0716|58.0652:57.0334|58.0652:57.0335:98.0717,CASMI_2016;UFZ,,,,,
100.000.427,200-469-3,60-32-2,Aminocaproic acid,6-aminohexanoic acid,NCCCCCC(=O)O,NCCCCCC(=O)O,"InChI=1/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",C6H13NO2,,,,,,SLXKOJJOQWFEFD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.430,200-473-5,60-35-5,Acetamide,acetamide,CC(=O)N,CC(=O)N,"InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",C2H5NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17464,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.430,DLFVBJFMPXGRIB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.431,200-474-0,60-38-8,"5ß,14-dihydroxy-19-oxocard-20(22)enolide 3ß-acetate","3-acetoxy-5,14-dihydroxy-19-oxocard-20(22)-enolide",CC(=O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C5=CC(=O)OC5,CC(=O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C5=CC(=O)OC5,"InChI=1/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3",C25H34O7,,,,,,JLZAERUVCODZQO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.437,200-480-3,60-51-5,Dimethoate,"O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate",CNC(=O)CSP(=S)(OC)OC,CNC(=O)CSP(=S)(OC)OC,"InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)",C5H12NO3PS2,,,,,,MCWXGJITAZMZEV-UHFFFAOYSA-N,Positive,AU300901|AU300902|AU300903|AU300904|AU300905;SM837901;EA276101|EA276102|EA276103|EA276104|EA276105|EA276106|EA276107|EA276108|EA276109|EA276110|EA276111|EA276112|EA276113|EA276114;UF400301|UF400302|UF400303|UF400304,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,198.9657:230.0081:170.9703|124.9823:170.9703:142.9929|124.9823:142.993:156.9542|124.9822:142.9927:156.9543|124.9823:142.9929:123.9979;142.9926:198.9647:170.9698;198.9648:170.9698:197.9811|198.9646:170.9697:230.0067|170.9697:198.9646:124.982|124.9821:142.9926:170.9698|124.982:142.9926:156.9541|124.982:142.9926:78.9944|124.982:142.9926:78.9943|198.9647:170.9698:230.0068|170.9698:198.9647:124.9821|124.9821:142.9926:170.9698|124.9821:142.9926:156.9541|124.982:142.9926:78.9943|124.982:142.9925:78.9943|198.9648:170.9698:197.9807;124.9819:142.9925:170.9697|124.9819:142.9925:78.9943|198.9646:170.9697:88.0214|198.9645:170.9697:88.0214,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.000.438,200-481-9,60-54-8,Tetracycline,"4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O,"InChI=1/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)",C22H24N2O8,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17381,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.438,OFVLGDICTFRJMM-WESIUVDSSA-N,Positive/Negative,mzcloud:1313,[M-H2O+H]+;[M+H]+,HCD_Averaged,428.1340:427.1499:410.1234:392.1129:349.0707:321.0757:226.0624:154.04988:126.05496:98.0600:86.0600:70.06513:58.0651,HighChem,mzcloud:1313,[M-H]-,HCD_Averaged,187.07645:173.06080:161.02443:135.04516:126.05606:125.0720:117.0346:111.0452:109.0295:93.03459:84.00910,HighChem
100.000.442,200-486-6,60-80-0,Phenazone,"1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CN1N(C(=O)C=C1C)c2ccccc2,CN1N(C(=O)C=C1C)c2ccccc2,"InChI=1/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",C11H12N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12463,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.442,VEQOALNAAJBPNY-UHFFFAOYSA-N,Positive,SM854601;EA033801|EA033802|EA033803|EA033804|EA033805|EA033806|EA033807|EA033808|EA033809|EA033810|EA033811|EA033812|EA033813|EA033814;UF406801|UF406802|UF406803|UF406804|UF406835|UF406836,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55|CID35|CID55,189.1022:147.0916:56.0496;189.1022:131.0729:161.1073|189.1025|189.1024:161.1073|189.1027:161.1074:147.0918|189.1025:147.0916:161.1073|189.1029:104.0496:147.0918|106.0651:56.0494:104.0495|189.1023|189.1022:161.1075:174.0784|189.1023:161.1073:147.0917|189.1023:147.0917:161.1073|189.1022:104.0495:147.0917|106.0652:104.0495:56.0495|189.1022:131.0729:161.1073;189.1025:147.092:161.1076|104.0496:189.1024:106.0652|189.1024:131.0731:161.1075|131.073:161.1074:144.0809|142.0609:155.0473:183.0871|142.0611:155.0472:183.0876,CASMI_2016;Eawag;UFZ,,,,,
100.000.446,200-490-8,60-89-9,Pecazine,10-[(1-methylpiperidin-3-yl)methyl]-10H-phenothiazine,CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1,CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1,"InChI=1/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3",C19H22N2S,,,,,,CBHCDHNUZWWAPP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.449,200-493-4,60-93-5,Quinine dihydrochloride,6'-methoxycinchonan-9-ol dihydrochloride,Cl.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,Cl.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.2ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H",C20H24N2O2.2ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10428,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.449,NNKXWRRDHYTHFP-HZQSTTLBSA-N,,,,,,,,,,,
100.000.454,200-499-7,61-16-5,Methoxamine hydrochloride,"2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol hydrochloride",Cl.COc1ccc(OC)c(c1)C(O)C(C)N,Cl.COc1ccc(OC)c(c1)C(O)C(C)N,"InChI=1/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H",C11H17NO3.ClH,,,,,,YGRFXPCHZBRUKP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.459,200-504-2,61-31-4,Sodium naphthalene-1-acetate,sodium 1-naphthylacetate,[Na+].[O-]C(=O)Cc1cccc2ccccc12,[Na+].[O-]C(=O)Cc1cccc2ccccc12,"InChI=1/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1",C12H10O2.Na,,,,,,CJUUXVFWKYRHAR-UHFFFAOYSA-M,,,,,,,,,,,
100.000.461,200-506-3,61-33-6,6-(2-phenylacetamido)penicillanic acid,"3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2C(NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2C(NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,"InChI=1/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C16H18N2O4S,,,,,,JGSARLDLIJGVTE-VBVNFKHJSA-N,,,,,,,,,,,
100.002.474,202-721-8,99-02-5,3'-chloroacetophenone,1-(3-chlorophenyl)ethanone,CC(=O)c1cccc(Cl)c1,CC(=O)c1cccc(Cl)c1,"InChI=1/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3",C8H7ClO,,,,,,UUWJBXKHMMQDED-UHFFFAOYSA-N,,,,,,,,,,,
100.004.280,204-707-7,124-64-1,Tetrakis(hydroxymethyl)phosphonium chloride,tetrakis(hydroxymethyl)phosphonium chloride,[Cl-].OC[P+](CO)(CO)CO,[Cl-].OC[P+](CO)(CO)CO,"InChI=1/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1",C4H12O4P.Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10105,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.280,AKXUUJCMWZFYMV-UHFFFAOYSA-M,,,,,,,,,,,
100.004.283,204-710-3,124-70-9,Dichloro(methyl)(vinyl)silane,dichloro(methyl)vinylsilane,C[Si](Cl)(Cl)C=C,C[Si](Cl)(Cl)C=C,"InChI=1/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3",C3H6Cl2Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14176,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.283,YLJJAVFOBDSYAN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.284,204-711-9,124-73-2,"1,2-dibromotetrafluoroethane","1,2-dibromo-1,1,2,2-tetrafluoroethane",FC(F)(Br)C(F)(F)Br,FC(F)(Br)C(F)(F)Br,"InChI=1/C2Br2F4/c3-1(5,6)2(4,7)8",C2Br2F4,,,,,,KVBKAPANDHPRDG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.285,204-712-4,124-76-5,"Exo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C,C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C,"InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,DTGKSKDOIYIVQL-OYNCUSHFSA-N,,,,,,,,,,,
100.004.286,204-714-5,124-80-1,Sabadine,"4,12,14,16,17,20-hexahydroxycevan-3-yl acetate",C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@]4(O)C[C@H]5[C@@H](CC[C@@H]6[C@H](O)[C@H](CC[C@]56C)OC(=O)C)[C@]4(O)C[C@H](O)[C@]3(O)[C@]2(C)O,C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@]4(O)C[C@H]5[C@@H](CC[C@@H]6[C@H](O)[C@H](CC[C@]56C)OC(=O)C)[C@]4(O)C[C@H](O)[C@]3(O)[C@]2(C)O,"InChI=1/C29H47NO8/c1-15-5-8-22-26(4,34)29(37)21(14-30(22)13-15)28(36)11-19-17(27(28,35)12-23(29)32)6-7-18-24(33)20(38-16(2)31)9-10-25(18,19)3/h15,17-24,32-37H,5-14H2,1-4H3",C29H47NO8,,,,,,IJZIXCZIZHENJV-ONCBQHFTSA-N,,,,,,,,,,,
100.004.313,204-743-3,125-53-1,Oxyphencyclimine,"(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl cyclohexyl(hydroxy)phenylacetate",CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3,CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3,"InChI=1/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3",C20H28N2O3,,,,,,DUDKAZCAISNGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.321,204-752-2,125-71-3,Dextromethorphan,3-methoxy-17-methylmorphinan,COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1,COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1,"InChI=1/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3",C18H25NO,,,,,,MKXZASYAUGDDCJ-NJAFHUGGSA-N,Positive,EA282401|EA282402|EA282403|EA282404|EA282405|EA282406|EA282407|EA282408|EA282409|EA282410|EA282411|EA282412|EA282413|EA282414,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,215.1432:213.1275:147.0804|272.201|272.2011:215.1429|272.2009:215.1428:213.1273|272.2008:215.143:213.1275|147.0804:213.1274:171.0804|171.0805:147.0804:213.1272|272.2008:171.0804|272.2008:215.1429:171.0806|272.201:215.1431:213.1273|272.201:215.1431:213.1274|147.0805:213.1274:171.0805|171.0804:147.0804:213.1273|215.1431:213.1275:147.0804,Eawag,,,,,
100.004.323,204-754-3,125-73-5,Dextrorphan,17-methylmorphinan-3-ol,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(O)cc34,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(O)cc34,"InChI=1/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3",C17H23NO,,,,,,JAQUASYNZVUNQP-PVAVHDDUSA-N,,,,,,,,,,,
100.004.328,204-760-6,125-88-2,Sodium 5-allyl-5-isopropylbarbiturate,"sodium 5-allyl-5-isopropyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CC(C)C1(CC=C)C(=O)NC(=NC1=O)[O-],[Na+].CC(C)C1(CC=C)C(=O)NC(=NC1=O)[O-],"InChI=1/C10H14N2O3.Na/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14;/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15);/q;+1/p-1",C10H14N2O3.Na,,,,,,HLFOAHHCDKJHCJ-UHFFFAOYSA-M,,,,,,,,,,,
100.004.333,204-765-3,126-04-5,a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl alcohol,"4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol",CC(CN(C)C)C(O)(Cc1ccccc1)c2ccccc2,CC(CN(C)C)C(O)(Cc1ccccc1)c2ccccc2,"InChI=1/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3",C19H25NO,,,,,,INTCGJHAECYOBW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.340,204-773-7,126-15-8,"1,4,4a,5a,6,9,9a,9b-octahydrodibenzofuran-4a-carbaldehyde","1,5a,6,9,9a,9b-hexahydrodibenzo[b,d]furan-4a(4H)-carbaldehyde",O=CC12CC=CCC1C3CC=CCC3O2,O=CC12CC=CCC1C3CC=CCC3O2,"InChI=1/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2",C13H16O2,,,,,,XNYGOEGATLFFOX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.347,204-781-0,126-30-7,"2,2-dimethylpropane-1,3-diol","2,2-dimethylpropane-1,3-diol",CC(C)(CO)CO,CC(C)(CO)CO,"InChI=1/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3",C5H12O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15079,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.347,SLCVBVWXLSEKPL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.350,204-784-7,126-38-5,"1-bromo-2,2-dimethoxypropane","1-bromo-2,2-dimethoxypropane",COC(C)(CBr)OC,COC(C)(CBr)OC,"InChI=1/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3",C5H11BrO2,,,,,,SGTITUFGCGGICE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.354,204-788-9,126-51-2,Hexakis(2-ethylbutyl) diorthosilicate,tris(3-methylpentyl) tris[(3-methylpentyl)oxy]silyl orthosilicate,CCC(C)CCO[Si](OCCC(C)CC)(OCCC(C)CC)O[Si](OCCC(C)CC)(OCCC(C)CC)OCCC(C)CC,CCC(C)CCO[Si](OCCC(C)CC)(OCCC(C)CC)O[Si](OCCC(C)CC)(OCCC(C)CC)OCCC(C)CC,"InChI=1/C36H78O7Si2/c1-13-31(7)19-25-37-44(38-26-20-32(8)14-2,39-27-21-33(9)15-3)43-45(40-28-22-34(10)16-4,41-29-23-35(11)17-5)42-30-24-36(12)18-6/h31-36H,13-30H2,1-12H3",C36H78O7Si2,,,,,,YLICFGVKGAMFNE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.359,204-794-1,126-58-9,"2,2,2',2'-tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol","2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol]",OCC(CO)(CO)COCC(CO)(CO)CO,OCC(CO)(CO)COCC(CO)(CO)CO,"InChI=1/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2",C10H22O7,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14461,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.359,TXBCBTDQIULDIA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.827,202-009-7,90-66-4,"6,6'-di-tert-butyl-2,2'-thiodi-p-cresol","2,2'-sulfanediylbis(6-tert-butyl-4-methylphenol)",Cc1cc(Sc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,Cc1cc(Sc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,"InChI=1/C22H30O2S/c1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8/h9-12,23-24H,1-8H3",C22H30O2S,,,,,,MQWCQFCZUNBTCM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.834,202-017-0,90-81-3,"(R*,S*)-(±)-a-[1-(methylamino)ethyl]benzyl alcohol",2-(methylamino)-1-phenylpropan-1-ol,CNC(C)C(O)c1ccccc1,CNC(C)C(O)c1ccccc1,"InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3",C10H15NO,,,,,,KWGRBVOPPLSCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.835,202-018-6,90-82-4,Pseudoephedrine,2-(methylamino)-1-phenylpropan-1-ol,CN[C@@H](C)[C@@H](O)c1ccccc1,CN[C@@H](C)[C@@H](O)c1ccccc1,"InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3",C10H15NO,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10032,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.835,KWGRBVOPPLSCSI-WCBMZHEXSA-N,,,,,,,,,,,
100.001.837,202-020-7,90-85-7,a-[1-(methylbenzylamino)ethyl]benzyl alcohol,2-[benzyl(methyl)amino]-1-phenylpropan-1-ol,CC(C(O)c1ccccc1)N(C)Cc2ccccc2,CC(C(O)c1ccccc1)N(C)Cc2ccccc2,"InChI=1/C17H21NO/c1-14(17(19)16-11-7-4-8-12-16)18(2)13-15-9-5-3-6-10-15/h3-12,14,17,19H,13H2,1-2H3",C17H21NO,,,,,,KLNGFIBGXXNTLD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.838,202-021-2,90-86-8,Cinnamedrine,2-[methyl(3-phenylprop-2-en-1-yl)amino]-1-phenylpropan-1-ol,OC(C(C)N(C)CC=Cc1ccccc1)c2ccccc2,OC(C(C)N(C)CC=Cc1ccccc1)c2ccccc2,"InChI=1/C19H23NO/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17/h3-14,16,19,21H,15H2,1-2H3",C19H23NO,,,,,,YMJMZFPZRVMNCH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.854,202-039-0,91-08-7,2-methyl-m-phenylene diisocyanate,"1,3-diisocyanato-2-methylbenzene",Cc1c(cccc1N=C=O)N=C=O,Cc1c(cccc1N=C=O)N=C=O,"InChI=1/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3",C9H6N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18739,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.854,RUELTTOHQODFPA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.858,202-043-2,91-14-5,"1,2-divinylbenzene","1,2-divinylbenzene",C=Cc1ccccc1C=C,C=Cc1ccccc1C=C,"InChI=1/C10H10/c1-3-9-7-5-6-8-10(9)4-2/h3-8H,1-2H2",C10H10,,,,,,MYRTYDVEIRVNKP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.863,202-049-5,91-20-3,Naphthalene,naphthalene,c1ccc2ccccc2c1,c1ccc2ccccc2c1,InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,C10H8,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15924,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.863,UFWIBTONFRDIAS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.871,202-057-9,91-29-2,2-(4-aminoanilino)-5-nitrobenzenesulphonic acid,2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonic acid,Nc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1,Nc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1,"InChI=1/C12H11N3O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20/h1-7,14H,13H2,(H,18,19,20)",C12H11N3O5S,,,,,,GSITZZUEHIPPMH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.874,202-061-0,91-33-8,Benzthiazide,"3-[(benzylsulfanyl)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc3ccccc3)NS2(=O)=O,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc3ccccc3)NS2(=O)=O,"InChI=1/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)",C15H14ClN3O4S3,,,,,,NDTSRXAMMQDVSW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.875,202-062-6,91-34-9,"4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid}",Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)cc4,Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)cc4,"InChI=1/C26H20N4O8S2/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20/h1-16,31-32H,(H,33,34,35)(H,36,37,38)",C26H20N4O8S2,,,,,,HNJRBCJUHORNHV-CJEIWIIRSA-N,,,,,,,,,,,
100.001.879,202-066-8,91-40-7,N-phenylanthranilic acid,2-anilinobenzoic acid,OC(=O)c1ccccc1Nc2ccccc2,OC(=O)c1ccccc1Nc2ccccc2,"InChI=1/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)",C13H11NO2,,,,,,ZWJINEZUASEZBH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.881,202-068-9,91-44-1,7-(diethylamino)-4-methyl-2-benzopyrone,7-(diethylamino)-4-methyl-2H-chromen-2-one,CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C,CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3",C14H17NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18846,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.881,AFYCEAFSNDLKSX-UHFFFAOYSA-N,Positive,SM884302,[M+H]+,HCD35,232.1333:203.0941:188.0706,CASMI_2016,,,,,
100.001.885,202-073-6,91-51-0,"Methyl 2-[[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropylidene]amino]benzoate",methyl 2-{[3-(4-tert-butylphenyl)-2-methylpropylidene]amino}benzoate,CC(C)(C)c1ccc(cc1)CC(C)C=Nc2ccccc2C(=O)OC,CC(C)(C)c1ccc(cc1)CC(C)C=Nc2ccccc2C(=O)OC,"InChI=1/C22H27NO2/c1-16(14-17-10-12-18(13-11-17)22(2,3)4)15-23-20-9-7-6-8-19(20)21(24)25-5/h6-13,15-16H,14H2,1-5H3",C22H27NO2,,,,,,RBAUBIIMPLZNGC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.888,202-076-2,91-55-4,"2,3-dimethyl-1H-indole","2,3-dimethyl-1H-indole",Cc1[nH]c2ccccc2c1C,Cc1[nH]c2ccccc2c1C,"InChI=1/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3",C10H11N,,,,,,PYFVEIDRTLBMHG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.889,202-077-8,91-56-5,"Indoline-2,3-dione","1H-indole-2,3-dione",O=C1Nc2ccccc2C1=O,O=C1Nc2ccccc2C1=O,"InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)",C8H5NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15909,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.889,JXDYKVIHCLTXOP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.138,201-251-0,80-10-4,Dichloro(diphenyl)silane,dichloro(diphenyl)silane,Cl[Si](Cl)(c1ccccc1)c2ccccc2,Cl[Si](Cl)(c1ccccc1)c2ccccc2,"InChI=1/C12H10Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10Cl2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14117,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.138,OSXYHAQZDCICNX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.139,201-252-6,80-11-5,N-methyl-N-nitrosotoluene-4-sulphonamide,"N,4-dimethyl-N-nitrosobenzenesulfonamide",CN(N=O)S(=O)(=O)c1ccc(C)cc1,CN(N=O)S(=O)(=O)c1ccc(C)cc1,"InChI=1/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3",C8H10N2O3S,,,,,,FFKZOUIEAHOBHW-UHFFFAOYSA-N,Positive,EQ345901|EQ345902|EQ345903|EQ345904|EQ345905|EQ345906,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,159.0305:158.0271:142.0039|142.0039:141.0005:159.0305|95.0492:96.0525:121.0285|95.0492:96.0525:55.0542|96.0525:95.0492:55.0542|95.0492:55.0542:96.0525,Eawag,,,,,
100.001.140,201-253-1,80-13-7,Halazone,4-(dichlorosulfamoyl)benzoic acid,OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,"InChI=1/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)",C7H5Cl2NO4S,,,,,,XPDVQPODLRGWPL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.146,201-259-4,80-21-7,m-aminobenzenesulphonanilide,3-amino-N-phenylbenzenesulfonamide,Nc1cccc(c1)S(=O)(=O)Nc2ccccc2,Nc1cccc(c1)S(=O)(=O)Nc2ccccc2,"InChI=1/C12H12N2O2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h1-9,14H,13H2",C12H12N2O2S,,,,,,SOZFVONLAQIHRF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.150,201-264-1,80-25-1,"a,a,4-trimethylcyclohexylmethyl acetate",1-methyl-1-(4-methylcyclohexyl)ethyl acetate,CC1CCC(CC1)C(C)(C)OC(=O)C,CC1CCC(CC1)C(C)(C)OC(=O)C,"InChI=1/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3",C12H22O2,,,,,,HBNHCGDYYBMKJN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.154,201-268-3,80-30-8,N-cyclohexyltoluene-4-sulphonamide,N-cyclohexyl-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)NC2CCCCC2,Cc1ccc(cc1)S(=O)(=O)NC2CCCCC2,"InChI=1/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3",C13H19NO2S,,,,,,DKYVVNLWACXMDW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.155,201-269-9,80-32-0,Sulfachlorpyridazine,4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2,Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2,"InChI=1/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)",C10H9ClN4O2S,,,,,,XOXHILFPRYWFOD-UHFFFAOYSA-N,Positive,mzcloud:1690,[M+H]+,HCD_Averaged,156.01136:108.04440:110.0600:92.04948:65.03858:68.04948:80.04947:130.01666,HighChem,,,,,
100.001.165,201-280-9,80-46-6,"p-(1,1-dimethylpropyl)phenol","4-(1,1-dimethylpropyl)phenol",CCC(C)(C)c1ccc(O)cc1,CCC(C)(C)c1ccc(O)cc1,"InChI=1/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3",C11H16O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14435,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.165,NRZWYNLTFLDQQX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.166,201-281-4,80-47-7,1-methyl-1-(4-methylcyclohexyl)ethyl hydroperoxide,1-methyl-1-(4-methylcyclohexyl)ethyl hydroperoxide,CC1CCC(CC1)C(C)(C)OO,CC1CCC(CC1)C(C)(C)OO,"InChI=1/C10H20O2/c1-8-4-6-9(7-5-8)10(2,3)12-11/h8-9,11H,4-7H2,1-3H3",C10H20O2,,,,,,XSZYESUNPWGWFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.167,201-283-5,80-48-8,Methyl toluene-4-sulphonate,methyl 4-methylbenzenesulfonate,COS(=O)(=O)c1ccc(C)cc1,COS(=O)(=O)c1ccc(C)cc1,"InChI=1/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3",C8H10O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18934,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.167,VUQUOGPMUUJORT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.173,201-289-8,80-54-6,2-(4-tert-butylbenzyl)propionaldehyde,3-(4-tert-butylphenyl)-2-methylpropanal,CC(Cc1ccc(cc1)C(C)(C)C)C=O,CC(Cc1ccc(cc1)C(C)(C)C)C=O,"InChI=1/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3",C14H20O,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7818,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.173,SDQFDHOLCGWZPU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.175,201-291-9,80-56-8,Pin-2(3)-ene,"2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",CC1=CCC2CC1C2(C)C,CC1=CCC2CC1C2(C)C,"InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14724,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.175,GRWFGVWFFZKLTI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.178,201-295-0,80-59-1,(E)-2-methylbut-2-enoic acid,2-methylbut-2-enoic acid,C\\C=C(/C)\\C(=O)O,C\C=C(/C)\C(=O)O,"InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)",C5H8O2,,,,,,UIERETOOQGIECD-ONEGZZNKSA-N,,,,,,,,,,,
100.001.179,201-296-6,80-60-4,2-aminobutyric acid,2-aminobutanoic acid,CCC(N)C(=O)O,CCC(N)C(=O)O,"InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2,,,,,,QWCKQJZIFLGMSD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.188,201-305-3,80-74-0,"N-3,4-dimethylisoxazol-5-yl-N-sulphanilylacetamide","N-[(4-aminophenyl)sulfonyl]-N-(3,4-dimethylisoxazol-5-yl)acetamide",CC(=O)N(c1onc(C)c1C)S(=O)(=O)c2ccc(N)cc2,CC(=O)N(c1onc(C)c1C)S(=O)(=O)c2ccc(N)cc2,"InChI=1/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3",C13H15N3O4S,,,,,,JFNWFXVFBDDWCX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.192,201-310-0,80-81-9,"6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene","6-ethyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene",CCc1ccc2c(c1)C(C)(C)CCC2(C)C,CCc1ccc2c(c1)C(C)(C)CCC2(C)C,"InChI=1/C16H24/c1-6-12-7-8-13-14(11-12)16(4,5)10-9-15(13,2)3/h7-8,11H,6,9-10H2,1-5H3",C16H24,,,,,,SLIOAQVQWDNBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.193,201-311-6,80-82-0,2-nitrobenzenesulphonic acid,2-nitrobenzenesulfonic acid,OS(=O)(=O)c1ccccc1[N+](=O)[O-],OS(=O)(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C6H5NO5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,10,11,12)",C6H5NO5S,,,,,,HWTDMFJYBAURQR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.195,201-313-7,80-92-2,"5-ß-pregnane-3-a,20-a-diol","pregnane-3,20-diol",CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3",C21H36O2,,,,,,YWYQTGBBEZQBGO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.479,202-727-0,99-07-0,3-dimethylaminophenol,3-(dimethylamino)phenol,CN(C)c1cccc(O)c1,CN(C)c1cccc(O)c1,"InChI=1/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3",C8H11NO,,,,,,MESJRHHDBDCQTH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.482,202-730-7,99-10-5,"3,5-dihydroxybenzoic acid","3,5-dihydroxybenzoic acid",OC(=O)c1cc(O)cc(O)c1,OC(=O)c1cc(O)cc(O)c1,"InChI=1/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)",C7H6O4,,,,,,UYEMGAFJOZZIFP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.483,202-731-2,99-11-6,"2,6-dihydroxyisonicotinic acid","2,6-dihydroxyisonicotinic acid",OC(=O)c1cc(O)nc(O)c1,OC(=O)c1cc(O)nc(O)c1,"InChI=1/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)",C6H5NO4,,,,,,CSGQJHQYWJLPKY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.489,202-738-0,99-18-3,(R)-(ß-D-glucopyranosyloxy)phenylacetonitrile,(beta-D-glucopyranosyloxy)(phenyl)acetonitrile,OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2",C14H17NO6,,,,,,ZKSZEJFBGODIJW-GMDXDWKASA-N,,,,,,,,,,,
100.002.499,202-749-0,99-32-1,"4-oxo-4H-pyran-2,6-dicarboxylic acid","4-oxo-4H-pyran-2,6-dicarboxylic acid",OC(=O)C1=CC(=O)C=C(O1)C(=O)O,OC(=O)C1=CC(=O)C=C(O1)C(=O)O,"InChI=1/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)",C7H4O6,,,,,,PBAYDYUZOSNJGU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.628,201-790-1,88-01-7,"Butyl 2,4-dichloro-3-oxobutyrate","butyl 2,4-dichloro-3-oxobutanoate",CCCCOC(=O)C(Cl)C(=O)CCl,CCCCOC(=O)C(Cl)C(=O)CCl,"InChI=1/C8H12Cl2O3/c1-2-3-4-13-8(12)7(10)6(11)5-9/h7H,2-5H2,1H3",C8H12Cl2O3,,,,,,QROPXOBPEJTKSV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.641,201-805-1,88-16-4,"2-chloro-a,a,a-trifluorotoluene",1-chloro-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1Cl,FC(F)(F)c1ccccc1Cl,"InChI=1/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",C7H4ClF3,,,,,,DGRVQOKCSKDWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.643,201-807-2,88-18-6,2-tert-butylphenol,2-tert-butylphenol,CC(C)(C)c1ccccc1O,CC(C)(C)c1ccccc1O,"InChI=1/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3",C10H14O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14446,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.643,WJQOZHYUIDYNHM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.910,202-100-1,91-81-6,Tripelennamine,"N-benzyl-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine",CN(C)CCN(Cc1ccccc1)c2ccccn2,CN(C)CCN(Cc1ccccc1)c2ccccn2,"InChI=1/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",C16H21N3,,,,,,UFLGIAIHIAPJJC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.911,202-101-7,91-82-7,1-(4-(4-chlorophenyl)-3-phenylbut-2-enyl)pyrrolidine,1-[4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine,Clc3ccc(CC(=CCN1CCCC1)c2ccccc2)cc3,Clc3ccc(CC(=CCN1CCCC1)c2ccccc2)cc3,"InChI=1/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2",C20H22ClN,,,,,,WDYYVNNRTDZKAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.919,202-110-6,91-95-2,"Biphenyl-3,3',4,4'-tetrayltetraamine","biphenyl-3,3',4,4'-tetramine",Nc1ccc(cc1N)c2ccc(N)c(N)c2,Nc1ccc(cc1N)c2ccc(N)c(N)c2,"InChI=1/C12H14N4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,13-16H2",C12H14N4,,,,,,HSTOKWSFWGCZMH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.920,202-111-1,91-96-3,"N,N'-(3,3'-dimethylbiphenyl-4,4'-ylene)di(acetoacetamide)","N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)bis(3-oxobutanamide)",CC(=O)CC(=O)Nc1ccc(cc1C)c2ccc(NC(=O)CC(=O)C)c(C)c2,CC(=O)CC(=O)Nc1ccc(cc1C)c2ccc(NC(=O)CC(=O)C)c(C)c2,"InChI=1/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)",C22H24N2O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6880,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.920,CRRLDLPBQWRVGN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.922,202-113-2,91-98-5,a-(N-ethyl-m-toluidino)-m-toluenesulphonic acid,3-{[ethyl(3-methylphenyl)amino]methyl}benzenesulfonic acid,CCN(Cc1cccc(c1)S(=O)(=O)O)c2cccc(C)c2,CCN(Cc1cccc(c1)S(=O)(=O)O)c2cccc(C)c2,"InChI=1/C16H19NO3S/c1-3-17(15-8-4-6-13(2)10-15)12-14-7-5-9-16(11-14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)",C16H19NO3S,,,,,,QAHDKLRCWZENIP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.926,202-117-4,92-02-4,N-[3-[bis(2-hydroxyethyl)amino]phenyl]acetamide,N-{3-[bis(2-hydroxyethyl)amino]phenyl}acetamide,CC(=O)Nc1cccc(c1)N(CCO)CCO,CC(=O)Nc1cccc(c1)N(CCO)CCO,"InChI=1/C12H18N2O3/c1-10(17)13-11-3-2-4-12(9-11)14(5-7-15)6-8-16/h2-4,9,15-16H,5-8H2,1H3,(H,13,17)",C12H18N2O3,,,,,,BPAFLIGSSPTQHU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.935,202-127-9,92-12-6,Phenyltoloxamine,"2-(2-benzylphenoxy)-N,N-dimethylethanamine",CN(C)CCOc1ccccc1Cc2ccccc2,CN(C)CCOc1ccccc1Cc2ccccc2,"InChI=1/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",C17H21NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18774,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.935,IZRPKIZLIFYYKR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.938,202-131-0,92-15-9,2'-methoxyacetoacetanilide,N-(2-methoxyphenyl)-3-oxobutanamide,COc1ccccc1NC(=O)CC(=O)C,COc1ccccc1NC(=O)CC(=O)C,"InChI=1/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)",C11H13NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14534,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.938,KYYRTDXOHQYZPO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.942,202-135-2,92-20-6,"2',5'-dimethoxy-4'-nitrobenzanilide","N-(2,5-dimethoxy-4-nitrophenyl)benzamide",COc1cc(c(OC)cc1NC(=O)c2ccccc2)[N+](=O)[O-],COc1cc(c(OC)cc1NC(=O)c2ccccc2)[N+](=O)[O-],"InChI=1/C15H14N2O5/c1-21-13-9-12(17(19)20)14(22-2)8-11(13)16-15(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)",C15H14N2O5,,,,,,JCKZOGUHQXHGTO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.943,202-136-8,92-21-7,"5,5'-dichloro-2,2',4,4'-tetramethoxy-a,a'-terephthaloyldiacetanilide","3,3'-(1,4-phenylene)bis[N-(5-chloro-2,4-dimethoxyphenyl)-3-oxopropanamide]",COc1cc(OC)c(NC(=O)CC(=O)c2ccc(cc2)C(=O)CC(=O)Nc3cc(Cl)c(OC)cc3OC)cc1Cl,COc1cc(OC)c(NC(=O)CC(=O)c2ccc(cc2)C(=O)CC(=O)Nc3cc(Cl)c(OC)cc3OC)cc1Cl,"InChI=1/C28H26Cl2N2O8/c1-37-23-13-25(39-3)19(9-17(23)29)31-27(35)11-21(33)15-5-7-16(8-6-15)22(34)12-28(36)32-20-10-18(30)24(38-2)14-26(20)40-4/h5-10,13-14H,11-12H2,1-4H3,(H,31,35)(H,32,36)",C28H26Cl2N2O8,,,,,,RGJDBFYBXKHCEV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.945,202-138-9,92-24-0,Naphthacene,tetracene,c1ccc2cc3cc4ccccc4cc3cc2c1,c1ccc2cc3cc4ccccc4cc3cc2c1,InChI=1/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H,C18H12,,,,,,IFLREYGFSNHWGE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.952,202-146-2,92-31-9,Tolonium chloride,3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium chloride,[Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1,[Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1,"InChI=1/C15H16N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H/q+1;/p-1",C15H16N3S.Cl,,,,,,HNONEKILPDHFOL-UHFFFAOYSA-M,,,,,,,,,,,
100.001.954,202-148-3,92-33-1,1-(10H-phenothiazin-2-yl)propan-1-one,1-(10H-phenothiazin-2-yl)propan-1-one,CCC(=O)c1ccc2Sc3ccccc3Nc2c1,CCC(=O)c1ccc2Sc3ccccc3Nc2c1,"InChI=1/C15H13NOS/c1-2-13(17)10-7-8-15-12(9-10)16-11-5-3-4-6-14(11)18-15/h3-9,16H,2H2,1H3",C15H13NOS,,,,,,XPGPHJNCOZQFAU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.956,202-150-4,92-36-4,4-(6-methylbenzothiazol-2-yl)aniline,"4-(6-methyl-1,3-benzothiazol-2-yl)aniline",Cc1ccc2nc(sc2c1)c3ccc(N)cc3,Cc1ccc2nc(sc2c1)c3ccc(N)cc3,"InChI=1/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3",C14H12N2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10982,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.956,XRTJYEIMLZALBD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.651,201-816-1,88-27-7,"2,6-di-tert-butyl-a-dimethylamino-p-cresol","2,6-di-tert-butyl-4-[(dimethylamino)methyl]phenol",CN(C)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CN(C)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3",C17H29NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10670,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.651,VMZVBRIIHDRYGK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.656,201-821-9,88-33-5,5-chloro-2-formylbenzenesulphonic acid,5-chloro-2-formylbenzenesulfonic acid,OS(=O)(=O)c1cc(Cl)ccc1C=O,OS(=O)(=O)c1cc(Cl)ccc1C=O,"InChI=1/C7H5ClO4S/c8-6-2-1-5(4-9)7(3-6)13(10,11)12/h1-4H,(H,10,11,12)",C7H5ClO4S,,,,,,GXRQQNQCMLEUAW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.666,201-832-9,88-45-9,"2,5-diaminobenzenesulphonic acid","2,5-diaminobenzenesulfonic acid",Nc1ccc(N)c(c1)S(=O)(=O)O,Nc1ccc(N)c(c1)S(=O)(=O)O,"InChI=1/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)",C6H8N2O3S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11416,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.666,HEAHMJLHQCESBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.669,201-836-0,88-50-6,"4-amino-2,5-dichlorobenzenesulphonic acid","4-amino-2,5-dichlorobenzenesulfonic acid",Nc1cc(Cl)c(cc1Cl)S(=O)(=O)O,Nc1cc(Cl)c(cc1Cl)S(=O)(=O)O,"InChI=1/C6H5Cl2NO3S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,9H2,(H,10,11,12)",C6H5Cl2NO3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12762,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.669,SJCTXIKOXTUQHC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.673,201-840-2,88-56-2,2-amino-5-chloro-4-ethylbenzenesulphonic acid,2-amino-5-chloro-4-ethylbenzenesulfonic acid,CCc1cc(N)c(cc1Cl)S(=O)(=O)O,CCc1cc(N)c(cc1Cl)S(=O)(=O)O,"InChI=1/C8H10ClNO3S/c1-2-5-3-7(10)8(4-6(5)9)14(11,12)13/h3-4H,2,10H2,1H3,(H,11,12,13)",C8H10ClNO3S,,,,,,DJOIZOKQHNHZPN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.676,201-843-9,88-61-9,m-xylene-4-sulphonic acid,"2,4-dimethylbenzenesulfonic acid",Cc1ccc(c(C)c1)S(=O)(=O)O,Cc1ccc(c(C)c1)S(=O)(=O)O,"InChI=1/C8H10O3S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)",C8H10O3S,,,,,,CHZLVSBMXZSPNN-UHFFFAOYSA-N,Negative,,,,,,SM834451,[M-H]-,HCD35,185.0277,CASMI_2016
100.001.680,201-848-6,88-65-3,2-bromobenzoic acid,2-bromobenzoic acid,OC(=O)c1ccccc1Br,OC(=O)c1ccccc1Br,"InChI=1/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",C7H5BrO2,,,,,,XRXMNWGCKISMOH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.690,201-859-6,88-82-4,"2,3,5-triiodobenzoic acid","2,3,5-triiodobenzoic acid",OC(=O)c1cc(I)cc(I)c1I,OC(=O)c1cc(I)cc(I)c1I,"InChI=1/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)",C7H3I3O2,,,,,,ZMZGFLUUZLELNE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.691,201-860-1,88-84-6,"(1S-cis)-1,2,3,4,5,6,7,8-octahydro-7-isopropylidene-1,4-dimethylazulene","7-isopropylidene-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene",C[C@H]1CCC(=C(C)C)CC2=C1CC[C@@H]2C,C[C@H]1CCC(=C(C)C)CC2=C1CC[C@@H]2C,"InChI=1/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3",C15H24,,,,,,GIBQERSGRNPMEH-RYUDHWBXSA-N,,,,,,,,,,,
100.001.706,201-876-9,89-02-1,"2,4-dinitrobenzenesulphonic acid","2,4-dinitrobenzenesulfonic acid",OS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],OS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O7S/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)",C6H4N2O7S,,,,,,OVOJUAKDTOOXRF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.708,201-879-5,89-05-4,"Benzene-1,2,4,5-tetracarboxylic acid","benzene-1,2,4,5-tetracarboxylic acid",OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O,OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O,"InChI=1/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",C10H6O8,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12839,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.708,CYIDZMCFTVVTJO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.360,204-795-7,126-63-6,Bis(2-ethylhexyl) 2-ethylhexylphosphonate,bis(2-ethylhexyl) (2-ethylhexyl)phosphonate,CCCCC(CC)COP(=O)(CC(CC)CCCC)OCC(CC)CCCC,CCCCC(CC)COP(=O)(CC(CC)CCCC)OCC(CC)CCCC,"InChI=1/C24H51O3P/c1-7-13-16-22(10-4)19-26-28(25,21-24(12-6)18-15-9-3)27-20-23(11-5)17-14-8-2/h22-24H,7-21H2,1-6H3",C24H51O3P,,,,,,GOCVCBDBQYEFQD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.364,204-799-9,126-72-7,"Tris(2,3-dibromopropyl) phosphate","tris(2,3-dibromopropyl) phosphate",BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr,BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr,"InChI=1/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2",C9H15Br6O4P,,,,,,PQYJRMFWJJONBO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.368,204-803-9,126-80-7,"1,3-bis(3-(2,3-epoxypropoxy)propyl)-1,1,3,3-tetramethyldisiloxane","1,1,3,3-tetramethyl-1,3-bis[3-(oxiran-2-ylmethoxy)propyl]disiloxane",C[Si](C)(CCCOCC1CO1)O[Si](C)(C)CCCOCC2CO2,C[Si](C)(CCCOCC1CO1)O[Si](C)(C)CCCOCC2CO2,"InChI=1/C16H34O5Si2/c1-22(2,9-5-7-17-11-15-13-19-15)21-23(3,4)10-6-8-18-12-16-14-20-16/h15-16H,5-14H2,1-4H3",C16H34O5Si2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12447,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.368,MFIBZDZRPYQXOM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.369,204-804-4,126-81-8,"5,5-dimethylcyclohexane-1,3-dione","5,5-dimethylcyclohexane-1,3-dione",CC1(C)CC(=O)CC(=O)C1,CC1(C)CC(=O)CC(=O)C1,"InChI=1/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3",C8H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5719,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.369,BADXJIPKFRBFOT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.373,204-809-1,126-86-3,"2,4,7,9-tetramethyldec-5-yne-4,7-diol","2,4,7,9-tetramethyldec-5-yne-4,7-diol",CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,"InChI=1/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3",C14H26O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14379,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.373,LXOFYPKXCSULTL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.505,203-854-4,111-29-5,"Pentane-1,5-diol","pentane-1,5-diol",OCCCCCO,OCCCCCO,"InChI=1/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2",C5H12O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14818,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.505,ALQSHHUCVQOPAS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.507,203-857-0,111-31-9,Hexane-1-thiol,hexane-1-thiol,CCCCCCS,CCCCCCS,"InChI=1/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",C6H14S,,,,,,PMBXCGGQNSVESQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.508,203-858-6,111-32-0,4-methoxybutan-1-ol,4-methoxybutan-1-ol,COCCCCO,COCCCCO,"InChI=1/C5H12O2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3",C5H12O2,,,,,,KOVAQMSVARJMPH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.510,203-860-7,111-34-2,Butyl vinyl ether,1-(vinyloxy)butane,CCCCOC=C,CCCCOC=C,"InChI=1/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3",C6H12O,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/16525,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.510,UZKWTJUDCOPSNM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.512,203-862-8,111-36-4,Butyl isocyanate,1-isocyanatobutane,CCCCN=C=O,CCCCN=C=O,"InChI=1/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3",C5H9NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1767,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.512,HNHVTXYLRVGMHD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.516,203-867-5,111-41-1,2-(2-aminoethylamino)ethanol,2-[(2-aminoethyl)amino]ethanol,NCCNCCO,NCCNCCO,"InChI=1/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2",C4H12N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14787,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.516,LHIJANUOQQMGNT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.520,203-871-7,111-45-5,2-(allyloxy)ethanol,2-(allyloxy)ethanol,OCCOCC=C,OCCOCC=C,"InChI=1/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2",C5H10O2,,,,,,GCYHRYNSUGLLMA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.522,203-873-8,111-47-7,Dipropyl sulphide,"1,1'-sulfanediyldipropane",CCCSCCC,CCCSCCC,"InChI=1/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3",C6H14S,,,,,,ZERULLAPCVRMCO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.524,203-875-9,111-49-9,Perhydroazepine,azepane,C1CCCNCC1,C1CCCNCC1,"InChI=1/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2",C6H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10383,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.524,ZSIQJIWKELUFRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.529,203-881-1,111-55-7,Ethylene di(acetate),"ethane-1,2-diyl diacetate",CC(=O)OCCOC(=O)C,CC(=O)OCCOC(=O)C,"InChI=1/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3",C6H10O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14437,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.529,JTXMVXSTHSMVQF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.533,203-885-3,111-59-1,Propyl oleate,propyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCC,"InChI=1/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h11-12H,3-10,13-20H2,1-2H3",C21H40O2,,,,,,BVWMJLIIGRDFEI-QXMHVHEDSA-N,,,,,,,,,,,
100.003.536,203-889-5,111-62-6,Ethyl oleate,ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC,"InChI=1/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3",C20H38O2,,,,,,LVGKNOAMLMIIKO-QXMHVHEDSA-N,,,,,,,,,,,
100.003.537,203-890-0,111-63-7,Vinyl stearate,vinyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC=C,CCCCCCCCCCCCCCCCCC(=O)OC=C,"InChI=1/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3",C20H38O2,,,,,,AFSIMBWBBOJPJG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.539,203-892-1,111-65-9,Octane,octane,CCCCCCCC,CCCCCCCC,"InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3",C8H18,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10378,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.539,TVMXDCGIABBOFY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.541,203-894-2,111-67-1,Oct-2-ene,oct-2-ene,CC=CCCCCC,CC=CCCCCC,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3",C8H16,,,,,,ILPBINAXDRFYPL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.892,202-080-4,91-59-8,2-naphthylamine,naphthalen-2-amine,Nc1ccc2ccccc2c1,Nc1ccc2ccccc2c1,"InChI=1/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2",C10H9N,,,,,,JBIJLHTVPXGSAM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.895,202-084-6,91-62-3,6-methylquinoline,6-methylquinoline,Cc1ccc2ncccc2c1,Cc1ccc2ncccc2c1,"InChI=1/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3",C10H9N,,,,,,LUYISICIYVKBTA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.902,202-091-4,91-72-5,"N,N-dibenzylsulphanilic acid",4-(dibenzylamino)benzenesulfonic acid,OS(=O)(=O)c1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3,OS(=O)(=O)c1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3,"InChI=1/C20H19NO3S/c22-25(23,24)20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,22,23,24)",C20H19NO3S,,,,,,DHRZHJZKNWAIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.906,202-096-1,91-77-0,"Diallyl(4,6-diamino-1,3,5-triazin-2-yl)amine","N~2~,N~2~-diallyl-1,3,5-triazine-2,4,6-triamine",Nc1nc(N)nc(n1)N(CC=C)CC=C,Nc1nc(N)nc(n1)N(CC=C)CC=C,"InChI=1/C9H14N6/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2,(H4,10,11,12,13,14)",C9H14N6,,,,,,ROHTVIURAJBDES-UHFFFAOYSA-N,,,,,,,,,,,
100.002.415,202-656-5,98-31-7,"3,4-dichlorobenzenesulphonyl chloride","3,4-dichlorobenzenesulfonyl chloride",Clc1ccc(cc1Cl)S(=O)(=O)Cl,Clc1ccc(cc1Cl)S(=O)(=O)Cl,"InChI=1/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H",C6H3Cl3O2S,,,,,,NYIBPWGZGSXURD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.421,202-662-8,98-37-3,3-amino-4-hydroxybenzenesulphonic acid,3-amino-4-hydroxybenzenesulfonic acid,Nc1cc(ccc1O)S(=O)(=O)O,Nc1cc(ccc1O)S(=O)(=O)O,"InChI=1/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11)",C6H7NO4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10421,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.421,ULUIMLJNTCECJU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.422,202-663-3,98-39-5,4-chloro-3-hydrazinobenzenesulphonic acid,4-chloro-3-hydrazinobenzenesulfonic acid,NNc1cc(ccc1Cl)S(=O)(=O)O,NNc1cc(ccc1Cl)S(=O)(=O)O,"InChI=1/C6H7ClN2O3S/c7-5-2-1-4(13(10,11)12)3-6(5)9-8/h1-3,9H,8H2,(H,10,11,12)",C6H7ClN2O3S,,,,,,WUZVUAJOSITGDK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.426,202-668-0,98-43-1,4-sulphoanthranilic acid,2-amino-4-sulfobenzoic acid,Nc1cc(ccc1C(=O)O)S(=O)(=O)O,Nc1cc(ccc1C(=O)O)S(=O)(=O)O,"InChI=1/C7H7NO5S/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)",C7H7NO5S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9980,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.426,GRGSHONWRKRWGP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.428,202-670-1,98-46-4,"a,a,a-trifluoro-3-nitrotoluene",1-nitro-3-(trifluoromethyl)benzene,[O-][N+](=O)c1cccc(c1)C(F)(F)F,[O-][N+](=O)c1cccc(c1)C(F)(F)F,"InChI=1/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H",C7H4F3NO2,,,,,,WHNAMGUAXHGCHH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.435,202-678-5,98-53-3,4-tert-butylcyclohexanone,4-tert-butylcyclohexanone,CC(C)(C)C1CCC(=O)CC1,CC(C)(C)C1CCC(=O)CC1,"InChI=1/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3",C10H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13934,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.435,YKFKEYKJGVSEIX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.441,202-684-8,98-59-9,Tosyl chloride,4-methylbenzenesulfonyl chloride,Cc1ccc(cc1)S(=O)(=O)Cl,Cc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3",C7H7ClO2S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13242,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.441,YYROPELSRYBVMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.442,202-685-3,98-60-2,4-chlorobenzenesulphonyl chloride,4-chlorobenzenesulfonyl chloride,Clc1ccc(cc1)S(=O)(=O)Cl,Clc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H",C6H4Cl2O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11530,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.442,ZLYBFBAHAQEEQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.450,202-694-2,98-71-5,4-hydrazinobenzenesulphonic acid,4-hydrazinobenzenesulfonic acid,NNc1ccc(cc1)S(=O)(=O)O,NNc1ccc(cc1)S(=O)(=O)O,"InChI=1/C6H8N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)",C6H8N2O3S,,,,,,IOMZCWUHFGMSEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.454,202-698-4,98-77-1,Piperidinium piperidine-1-carbodithioate,piperidinium piperidine-1-carbodithioate,[S-]C(=S)N1CCCCC1.C2CC[NH2+]CC2,[S-]C(=S)N1CCCCC1.C2CC[NH2+]CC2,"InChI=1/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2",C6H11NS2.C5H11N,,,,,,PVFZKRMYBKEXBN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.458,202-704-5,98-82-8,Cumene,isopropylbenzene,CC(C)c1ccccc1,CC(C)c1ccccc1,"InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",C9H12,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15387,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.458,RWGFKTVRMDUZSP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.459,202-705-0,98-83-9,2-phenylpropene,isopropenylbenzene,CC(=C)c1ccccc1,CC(=C)c1ccccc1,"InChI=1/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3",C9H10,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15309,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.459,XYLMUPLGERFSHI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.461,202-707-1,98-85-1,1-phenylethanol,1-phenylethanol,CC(O)c1ccccc1,CC(O)c1ccccc1,"InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3",C8H10O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5405,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.461,WAPNOHKVXSQRPX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.302,203-631-1,108-94-1,Cyclohexanone,cyclohexanone,O=C1CCCCC1,O=C1CCCCC1,InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2,C6H10O,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15388,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.302,JHIVVAPYMSGYDF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.306,203-635-3,108-98-5,Benzenethiol,benzenethiol,Sc1ccccc1,Sc1ccccc1,"InChI=1/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H",C6H6S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10117,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.306,RMVRSNDYEFQCLF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.202,201-321-0,81-07-2,"1,2-benzisothiazol-3(2H)-one 1,1-dioxide","1,2-benzisothiazol-3(2H)-one 1,1-dioxide",O=C1NS(=O)(=O)c2ccccc12,O=C1NS(=O)(=O)c2ccccc12,"InChI=1/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)",C7H5NO3S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11056,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.202,CVHZOJJKTDOEJC-UHFFFAOYSA-N,Negative,,,,,,SM867051;EA281651|EA281652|EA281653|EA281654|EA281655|EA281656|EA281657|EA281658|EA281659|EA281660|EA281661|EA281662|EA281663|EA281664,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,181.9918;181.9918:105.9602:61.9707|181.9918|181.9919|181.9918:61.9707|181.9917:61.9707|181.9917|181.9911|181.9918|181.9918|181.9918:61.9704|181.9917:61.9706|181.9916|181.9915:61.9704|181.9918:105.9602:61.9708,CASMI_2016;Eawag
100.001.205,201-324-7,81-10-7,2-amino-N-ethylbenzenesulphonanilide,2-amino-N-ethyl-N-phenylbenzenesulfonamide,CCN(c1ccccc1)S(=O)(=O)c2ccccc2N,CCN(c1ccccc1)S(=O)(=O)c2ccccc2N,"InChI=1/C14H16N2O2S/c1-2-16(12-8-4-3-5-9-12)19(17,18)14-11-7-6-10-13(14)15/h3-11H,2,15H2,1H3",C14H16N2O2S,,,,,,OXZNTECZWGFYMM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.206,201-325-2,81-11-8,"4,4'-diaminostilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid)",Nc1ccc(\\C=C\\c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(\C=C\c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)",C14H14N2O6S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15108,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.206,REJHVSOVQBJEBF-OWOJBTEDSA-N,,,,,,,,,,,
100.001.210,201-329-4,81-15-2,"5-tert-butyl-2,4,6-trinitro-m-xylene","1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene",Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3",C12H15N3O6,,,,,,XMWRWTSZNLOZFN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.211,201-331-5,81-16-3,2-aminonaphthalene-1-sulphonic acid,2-aminonaphthalene-1-sulfonic acid,Nc1ccc2ccccc2c1S(=O)(=O)O,Nc1ccc2ccccc2c1S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,GWIAAIUASRVOIA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.213,201-333-6,81-20-9,2-nitro-m-xylene,"1,3-dimethyl-2-nitrobenzene",Cc1cccc(C)c1[N+](=O)[O-],Cc1cccc(C)c1[N+](=O)[O-],"InChI=1/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3",C8H9NO2,,,,,,HDFQKJQEWGVKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.262,201-387-0,81-93-6,"3,7-diamino-5-phenylphenazinium chloride","3,7-diamino-5-phenylphenazin-5-ium chloride",[Cl-].Nc1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1,[Cl-].Nc1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1,"InChI=1/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H",C18H15N4.Cl,,,,,,SOUHUMACVWVDME-UHFFFAOYSA-N,,,,,,,,,,,
100.001.268,201-393-3,82-05-3,Benz[de]anthracen-7-one,7H-benzo[de]anthracen-7-one,O=C1c2ccccc2c3cccc4cccc1c34,O=C1c2ccccc2c3cccc4cccc1c34,InChI=1/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H,C17H10O,,,,,,HUKPVYBUJRAUAG-UHFFFAOYSA-N,Positive,SM828202;UA001201|UA001203,[M+H]+;[M+H]+,HCD35;CID35|CID35,231.0805:203.0856:202.0777;203.0853:202.0775:231.0804|231.0802:203.0855:202.0777,CASMI_2016;UFZ_Additional_Specs,,,,,
100.001.277,201-404-1,82-21-3,"1,5-diphenoxyanthraquinone","1,5-diphenoxy-9,10-anthraquinone",O=C1c2cccc(Oc3ccccc3)c2C(=O)c4cccc(Oc5ccccc5)c14,O=C1c2cccc(Oc3ccccc3)c2C(=O)c4cccc(Oc5ccccc5)c14,InChI=1/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H,C26H16O4,,,,,,GSNYYYXHQZHEFP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.280,201-407-8,82-27-9,2-amino-1-chloroanthraquinone,"2-amino-1-chloro-9,10-anthraquinone",Nc1ccc2C(=O)c3ccccc3C(=O)c2c1Cl,Nc1ccc2C(=O)c3ccccc3C(=O)c2c1Cl,"InChI=1/C14H8ClNO2/c15-12-10(16)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2",C14H8ClNO2,,,,,,PLGPRGMWHYWEFT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.281,201-408-3,82-28-0,1-amino-2-methylanthraquinone,"1-amino-2-methyl-9,10-anthraquinone",Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3",C15H11NO2,,,,,,ZLCUIOWQYBYEBG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.283,201-410-4,82-32-6,"4-amino-1-bromo-9,10-dihydro-9,10-dioxoanthracene-3,5-disulphonic acid","8-amino-5-bromo-9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonic acid",Nc1c2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c2c(Br)cc1S(=O)(=O)O,Nc1c2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c2c(Br)cc1S(=O)(=O)O,"InChI=1/C14H8BrNO8S2/c15-6-4-8(26(22,23)24)12(16)11-10(6)13(17)5-2-1-3-7(25(19,20)21)9(5)14(11)18/h1-4H,16H2,(H,19,20,21)(H,22,23,24)",C14H8BrNO8S2,,,,,,DAQSXJRFPGVRFV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.284,201-412-5,82-33-7,"1,4-diamino-5-nitroanthraquinone","1,4-diamino-5-nitro-9,10-anthraquinone",Nc1ccc(N)c2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,Nc1ccc(N)c2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,"InChI=1/C14H9N3O4/c15-7-4-5-8(16)12-11(7)13(18)6-2-1-3-9(17(20)21)10(6)14(12)19/h1-5H,15-16H2",C14H9N3O4,,,,,,SDICTISQCKLMEB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.285,201-413-0,82-34-8,1-nitroanthraquinone,"1-nitro-9,10-anthraquinone",[O-][N+](=O)c1cccc2C(=O)c3ccccc3C(=O)c12,[O-][N+](=O)c1cccc2C(=O)c3ccccc3C(=O)c12,InChI=1/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H,C14H7NO4,,,,,,YCANAXVBJKNANM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.709,201-880-0,89-07-6,"2,4-dinitrocumene","1-isopropyl-2,4-dinitrobenzene",CC(C)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CC(C)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C9H10N2O4/c1-6(2)8-4-3-7(10(12)13)5-9(8)11(14)15/h3-6H,1-2H3",C9H10N2O4,,,,,,BAWGGSYXBBWRAO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.712,201-883-7,89-13-4,2-ethylhexyl 8-methylnonyl phthalate,2-ethylhexyl 8-methylnonyl phthalate,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,"InChI=1/C26H42O4/c1-5-7-16-22(6-2)20-30-26(28)24-18-13-12-17-23(24)25(27)29-19-14-10-8-9-11-15-21(3)4/h12-13,17-18,21-22H,5-11,14-16,19-20H2,1-4H3",C26H42O4,,,,,,KRVAUPJDDLBZBB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.725,201-897-3,89-31-6,Salsoline,"7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol",COc1cc2[C@@H](C)NCCc2cc1O,COc1cc2[C@@H](C)NCCc2cc1O,"InChI=1/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3",C11H15NO2,,,,,,YTPRLBGPGZHUPD-SSDOTTSWSA-N,,,,,,,,,,,
100.001.726,201-898-9,89-32-7,"Benzene-1,2:4,5-tetracarboxylic dianhydride","1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone",O=C1OC(=O)c2cc3C(=O)OC(=O)c3cc12,O=C1OC(=O)c2cc3C(=O)OC(=O)c3cc12,InChI=1/C10H2O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H,C10H2O6,,,,,,ANSXAPJVJOKRDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.733,201-906-0,89-41-8,3-nitro-p-anisic acid,4-methoxy-3-nitrobenzoic acid,COc1ccc(cc1[N+](=O)[O-])C(=O)O,COc1ccc(cc1[N+](=O)[O-])C(=O)O,"InChI=1/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7180,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.733,ANXBDAFDZSXOPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.735,201-908-1,89-43-0,"Methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate","methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate",COC(=O)c1ccccc1N=CCC(C)CCCC(C)(C)O,COC(=O)c1ccccc1N=CCC(C)CCCC(C)(C)O,"InChI=1/C18H27NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,13-14,21H,7-8,11-12H2,1-4H3",C18H27NO3,,,,,,BFBPISPWJZMWJN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.737,201-910-2,89-47-4,Menthyl valerate,2-isopropyl-5-methylcyclohexyl valerate,O=C(OC1CC(C)CCC1C(C)C)CCCC,O=C(OC1CC(C)CCC1C(C)C)CCCC,"InChI=1/C15H28O2/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3/h11-14H,5-10H2,1-4H3",C15H28O2,,,,,,LCJPVSLESAPYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.743,201-917-0,89-55-4,5-bromosalicylic acid,5-bromo-2-hydroxybenzoic acid,OC(=O)c1cc(Br)ccc1O,OC(=O)c1cc(Br)ccc1O,"InChI=1/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)",C7H5BrO3,,,,,,IEJOONSLOGAXNO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.747,201-921-2,89-59-8,4-chloro-2-nitrotoluene,4-chloro-1-methyl-2-nitrobenzene,Cc1ccc(Cl)cc1[N+](=O)[O-],Cc1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3",C7H6ClNO2,,,,,,SQFLFRQWPBEDHM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.749,201-923-3,89-61-2,"1,4-dichloro-2-nitrobenzene","1,4-dichloro-2-nitrobenzene",[O-][N+](=O)c1cc(Cl)ccc1Cl,[O-][N+](=O)c1cc(Cl)ccc1Cl,InChI=1/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,C6H3Cl2NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17548,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.749,RZKKOBGFCAHLCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.751,201-925-4,89-63-4,4-chloro-2-nitroaniline,4-chloro-2-nitroaniline,Nc1ccc(Cl)cc1[N+](=O)[O-],Nc1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2",C6H5ClN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13932,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.751,PBGKNXWGYQPUJK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.753,201-928-0,89-65-6,"2,3-didehydro-D-erythro-hexono-1,4-lactone","5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)",OC[C@@H](O)[C@H]1OC(=O)C(=C1O)O,OC[C@@H](O)[C@H]1OC(=O)C(=C1O)O,"InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2",C6H8O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12801,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.753,CIWBSHSKHKDKBQ-DUZGATOHSA-N,,,,,,,,,,,
100.001.754,201-929-6,89-67-8,"D-glycero-D-gulo-heptono-1,4-lactone","3,4-dihydroxy-5-(1,2,3-trihydroxypropyl)dihydrofuran-2(3H)-one (non-preferred name)",OCC(O)C(O)C1OC(=O)C(O)C1O,OCC(O)C(O)C1OC(=O)C(O)C1O,"InChI=1/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2",C7H12O7,,,,,,VIVCRCODGMFTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.756,201-931-7,89-69-0,"5-nitro-1,2,4-trichlorobenzene","1,2,4-trichloro-5-nitrobenzene",[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl,[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl,InChI=1/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,C6H2Cl3NO2,,,,,,IBRBMZRLVYKVRF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.760,201-935-9,89-74-7,"2',4'-dimethylacetophenone","1-(2,4-dimethylphenyl)ethanone",CC(=O)c1ccc(C)cc1C,CC(=O)c1ccc(C)cc1C,"InChI=1/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3",C10H12O,,,,,,HSDSKVWQTONQBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.763,201-939-0,89-78-1,Menthol,2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13758,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.763,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.777,201-954-2,89-95-2,2-methylbenzyl alcohol,(2-methylphenyl)methanol,Cc1ccccc1CO,Cc1ccccc1CO,"InChI=1/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3",C8H10O,,,,,,XPNGNIFUDRPBFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.542,203-895-8,111-68-2,Heptylamine,heptan-1-amine,CCCCCCCN,CCCCCCCN,"InChI=1/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3",C7H17N,,,,,,WJYIASZWHGOTOU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.048,204-452-1,121-18-6,4-chloro-3-nitrobenzenesulphonic acid,4-chloro-3-nitrobenzenesulfonic acid,OS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],OS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C6H4ClNO5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,(H,11,12,13)",C6H4ClNO5S,,,,,,RPKWNMFDAOACCX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.049,204-453-7,121-19-7,Roxarsone,(4-hydroxy-3-nitrophenyl)arsonic acid,Oc1ccc(cc1[N+](=O)[O-])[As](=O)(O)O,Oc1ccc(cc1[N+](=O)[O-])[As](=O)(O)O,"InChI=1/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)",C6H6AsNO6,,,,,,XMVJITFPVVRMHC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.054,204-458-4,121-25-5,Amprolium,1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridinium chloride,[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1,[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1,"InChI=1/C14H19N4.ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1",C14H19N4.Cl,,,,,,LCTXBFGHZLGBNU-UHFFFAOYSA-M,,,,,,,,,,,
100.004.062,204-467-3,121-39-1,Ethyl 3-phenyloxirane-2-carboxylate,ethyl 3-phenyloxirane-2-carboxylate,CCOC(=O)C1OC1c2ccccc2,CCOC(=O)C1OC1c2ccccc2,"InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3",C11H12O3,,,,,,GOMAKLPNAAZVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.063,204-468-9,121-43-7,Trimethyl borate,trimethyl borate,COB(OC)OC,COB(OC)OC,InChI=1/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3,C3H9BO3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14170,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.063,WRECIMRULFAWHA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.071,204-477-8,121-52-8,m-nitrobenzenesulphonamide,3-nitrobenzenesulfonamide,NS(=O)(=O)c1cccc(c1)[N+](=O)[O-],NS(=O)(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)",C6H6N2O4S,,,,,,TXTQURPQLVHJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.074,204-480-4,121-55-1,Subathizone,4-(ethylsulfonyl)benzaldehyde thiosemicarbazone,CCS(=O)(=O)c1ccc(C=NNC(N)=S)cc1,CCS(=O)(=O)c1ccc(C=NNC(N)=S)cc1,"InChI=1/C10H13N3O2S2/c1-2-17(14,15)9-5-3-8(4-6-9)7-12-13-10(11)16/h3-7H,2H2,1H3,(H3,11,13,16)",C10H13N3O2S2,,,,,,VUSKMERTTCJJPM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.075,204-482-5,121-57-3,Sulphanilic acid,4-aminobenzenesulfonic acid,Nc1ccc(cc1)S(=O)(=O)O,Nc1ccc(cc1)S(=O)(=O)O,"InChI=1/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)",C6H7NO3S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14240,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.075,HVBSAKJJOYLTQU-UHFFFAOYSA-N,Positive/Negative,EA065201|EA065202|EA065203|EA065204|EA065205|EA065206|EA065207|EA065208|EA065209|EA065210|EA065211|EA065212|EA065213|EA065214,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,156.0113:93.0573:94.0651|174.022:93.0573:156.0113|93.0573:174.022:156.0114|93.0573:174.0219:108.0444|93.0573:174.022:108.0444|93.0573:92.0494:108.0443|93.0573:92.0495:65.0386|174.0219:93.0573:156.0114|93.0573:174.0219:156.0113|93.0573:174.0219:108.0444|93.0573:174.022:108.0444|93.0573:92.0495:108.0444|93.0573:92.0495:65.0386|156.0114:93.0573:94.0652,Eawag,EA065251|EA065252|EA065253|EA065254|EA065255|EA065256|EA065257|EA065258|EA065259|EA065260|EA065261|EA065262|EA065263,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,172.0073:108.0454:79.9573|172.0071|172.007|172.0071:108.045:79.957|172.007:79.9573:108.0453|172.0071:79.9572:108.0453|79.9574:172.0072:108.0453|172.0074|172.0074|172.0073:108.0453:79.9573|172.0071:79.9573:108.0453|172.0072:79.9574:108.0454|79.9574:172.0077:108.0454,Eawag
100.004.078,204-485-1,121-60-8,N-acetylsulphanilyl chloride,4-acetamidobenzenesulfonyl chloride,CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)",C8H8ClNO3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5698,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.078,GRDXCFKBQWDAJH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.079,204-486-7,121-61-9,4'-sulphamoylacetanilide,N-(4-sulfamoylphenyl)acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)N,CC(=O)Nc1ccc(cc1)S(=O)(=O)N,"InChI=1/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)",C8H10N2O3S,,,,,,PKOFBDHYTMYVGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.080,204-487-2,121-62-0,N-acetylsulphanilic acid,4-acetamidobenzenesulfonic acid,CC(=O)Nc1ccc(cc1)S(=O)(=O)O,CC(=O)Nc1ccc(cc1)S(=O)(=O)O,"InChI=1/C8H9NO4S/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)",C8H9NO4S,,,,,,ZQPVMSLLKQTRMG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.083,204-490-9,121-66-4,5-nitrothiazol-2-ylamine,"5-nitro-1,3-thiazol-2-amine",Nc1ncc(s1)[N+](=O)[O-],Nc1ncc(s1)[N+](=O)[O-],"InChI=1/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)",C3H3N3O2S,,,,,,MIHADVKEHAFNPG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.089,204-497-7,121-75-5,Malathion,diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,"InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",C10H19O6PS2,,,,,,JXSJBGJIGXNWCI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.092,204-500-1,121-82-4,"Perhydro-1,3,5-trinitro-1,3,5-triazine","1,3,5-trinitro-1,3,5-triazinane",[O-][N+](=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2,C3H6N6O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13732,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.092,XTFIVUDBNACUBN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.093,204-501-7,121-86-8,2-chloro-4-nitrotoluene,2-chloro-1-methyl-4-nitrobenzene,Cc1ccc(cc1Cl)[N+](=O)[O-],Cc1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3",C7H6ClNO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1542,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.093,LLYXJBROWQDVMI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.924,204-316-1,119-34-6,4-amino-2-nitrophenol,4-amino-2-nitrophenol,Nc1ccc(O)c(c1)[N+](=O)[O-],Nc1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2",C6H6N2O3,,,,,,WHODQVWERNSQEO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.930,204-322-4,119-42-6,2-cyclohexylphenol,2-cyclohexylphenol,Oc1ccccc1C2CCCCC2,Oc1ccccc1C2CCCCC2,"InChI=1/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2",C12H16O,,,,,,MVRPPTGLVPEMPI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.310,203-640-0,109-02-4,4-methylmorpholine,4-methylmorpholine,CN1CCOCC1,CN1CCOCC1,"InChI=1/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3",C5H11NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13472,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.310,SJRJJKPEHAURKC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.313,203-643-7,109-06-8,2-methylpyridine,2-methylpyridine,Cc1ccccn1,Cc1ccccn1,"InChI=1/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",C6H7N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17685,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.313,BSKHPKMHTQYZBB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.316,203-646-3,109-09-1,2-chloropyridine,2-chloropyridine,Clc1ccccn1,Clc1ccccn1,InChI=1/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H,C5H4ClN,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16352,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.316,OKDGRDCXVWSXDC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.324,203-655-2,109-20-6,Geranyl isovalerate,"3,7-dimethylocta-2,6-dien-1-yl 3-methylbutanoate",CC(C)CC(=O)OC\\C=C(/C)\\CCC=C(C)C,CC(C)CC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3",C15H26O2,,,,,,SOUKTGNMIRUIQN-NTEUORMPSA-N,,,,,,,,,,,
100.003.325,203-656-8,109-21-7,Butyl butyrate,butyl butyrate,CCCCOC(=O)CCC,CCCCOC(=O)CCC,"InChI=1/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3",C8H16O2,,,,,,XUPYJHCZDLZNFP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.327,203-658-9,109-25-1,3-methylbutyl heptanoate,3-methylbutyl heptanoate,CCCCCCC(=O)OCCC(C)C,CCCCCCC(=O)OCCC(C)C,"InChI=1/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3",C12H24O2,,,,,,AFCXVDRTNQNGHS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.338,203-670-4,109-42-2,Butyl undec-10-enoate,butyl undec-10-enoate,CCCCOC(=O)CCCCCCCCC=C,CCCCOC(=O)CCCCCCCCC=C,"InChI=1/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3",C15H28O2,,,,,,GRAORJFMGCQWRN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.346,203-679-3,109-54-6,3-chloropropyl(dimethyl)amine,"3-chloro-N,N-dimethylpropan-1-amine",CN(C)CCCCl,CN(C)CCCCl,"InChI=1/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3",C5H12ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18933,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.346,NYYRRBOMNHUCLB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.962,202-157-2,92-47-7,"3,4-dihydro-6-methyl-2H-1-benzopyran-2-one",6-methylchroman-2-one,Cc1ccc2OC(=O)CCc2c1,Cc1ccc2OC(=O)CCc2c1,"InChI=1/C10H10O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2,4,6H,3,5H2,1H3",C10H10O2,,,,,,TWAXWQHDMDUHDN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.966,202-161-4,92-51-3,Bicyclohexyl,"1,1'-bi(cyclohexyl)",C1CCC(CC1)C2CCCCC2,C1CCC(CC1)C2CCCCC2,"InChI=1/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2",C12H22,,,,,,WVIIMZNLDWSIRH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.967,202-163-5,92-52-4,Biphenyl,biphenyl,c1ccc(cc1)c2ccccc2,c1ccc(cc1)c2ccccc2,InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,C12H10,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14948,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.967,ZUOUZKKEUPVFJK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.968,202-164-0,92-53-5,4-phenylmorpholine,4-phenylmorpholine,C1CN(CCO1)c2ccccc2,C1CN(CCO1)c2ccccc2,"InChI=1/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2",C10H13NO,,,,,,FHQRDEDZJIFJAL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.971,202-167-7,92-56-8,N-benzyl-N-ethylsulphanil acid,4-[benzyl(ethyl)amino]benzenesulfonic acid,CCN(Cc1ccccc1)c2ccc(cc2)S(=O)(=O)O,CCN(Cc1ccccc1)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C15H17NO3S/c1-2-16(12-13-6-4-3-5-7-13)14-8-10-15(11-9-14)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)",C15H17NO3S,,,,,,OZBLZWHUFCFATD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.978,202-175-0,92-65-9,2-(4-amino-N-ethylanilino)ethanol,2-[(4-aminophenyl)(ethyl)amino]ethanol,CCN(CCO)c1ccc(N)cc1,CCN(CCO)c1ccc(N)cc1,"InChI=1/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3",C10H16N2O,,,,,,WFXLRLQSHRNHCE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.987,202-185-5,92-74-0,2'-ethoxy-3-hydroxy-2-naphthanilide,N-(2-ethoxyphenyl)-3-hydroxy-2-naphthamide,CCOc1ccccc1NC(=O)c2cc3ccccc3cc2O,CCOc1ccccc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C19H17NO3/c1-2-23-18-10-6-5-9-16(18)20-19(22)15-11-13-7-3-4-8-14(13)12-17(15)21/h3-12,21H,2H2,1H3,(H,20,22)",C19H17NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2012,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.987,NXIGDUAONGBUKR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.988,202-186-0,92-75-1,"3-hydroxy-2',4'-dimethyl-2-naphthanilide","N-(2,4-dimethylphenyl)-3-hydroxy-2-naphthamide",Cc1ccc(NC(=O)c2cc3ccccc3cc2O)c(C)c1,Cc1ccc(NC(=O)c2cc3ccccc3cc2O)c(C)c1,"InChI=1/C19H17NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)",C19H17NO2,,,,,,VTPSNRIENVXKCI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.991,202-189-7,92-78-4,4'-chloro-3-hydroxy-2-naphthanilide,N-(4-chlorophenyl)-3-hydroxy-2-naphthamide,Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3,Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3,"InChI=1/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)",C17H12ClNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11408,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.991,OHAXNCGNVGGWSO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.992,202-190-2,92-79-5,3-hydroxy-4'-methoxy-2-naphthanilide,3-hydroxy-N-(4-methoxyphenyl)-2-naphthamide,COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,"InChI=1/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21)",C18H15NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11268,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.992,UIXFPIHXQQZAGX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.994,202-192-3,92-81-9,"9,10-dihydroacridine","9,10-dihydroacridine",C1c2ccccc2Nc3ccccc13,C1c2ccccc2Nc3ccccc13,"InChI=1/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2",C13H11N,,,,,,HJCUTNIGJHJGCF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.291,201-419-3,82-42-8,1-chloro-4-hydroxyanthraquinone,"1-chloro-4-hydroxy-9,10-anthraquinone",Oc1ccc(Cl)c2C(=O)c3ccccc3C(=O)c12,Oc1ccc(Cl)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H7ClO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H",C14H7ClO3,,,,,,TUZZWPYZPHNFJY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.788,200-866-1,75-37-6,"1,1-difluoroethane","1,1-difluoroethane",CC(F)F,CC(F)F,"InChI=1/C2H4F2/c1-2(3)4/h2H,1H3",C2H4F2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2017,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.788,NPNPZTNLOVBDOC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.789,200-867-7,75-38-7,"1,1-difluoroethylene","1,1-difluoroethene",FC(=C)F,FC(=C)F,InChI=1/C2H2F2/c1-2(3)4/h1H2,C2H2F2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15215,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.789,BQCIDUSAKPWEOX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.793,200-871-9,75-45-6,Chlorodifluoromethane,chloro(difluoro)methane,FC(F)Cl,FC(F)Cl,InChI=1/CHClF2/c2-1(3)4/h1H,CHClF2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15022,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.793,VOPWNXZWBYDODV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.800,200-879-2,75-56-9,Methyloxirane,2-methyloxirane,CC1CO1,CC1CO1,"InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3",C3H6O,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16091,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.800,GOOHAUXETOMSMM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.801,200-880-8,75-57-0,Tetramethylammonium chloride,"N,N,N-trimethylmethanaminium chloride",[Cl-].C[N+](C)(C)C,[Cl-].C[N+](C)(C)C,"InChI=1/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",C4H12N.Cl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5540,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.801,OKIZCWYLBDKLSU-UHFFFAOYSA-M,,,,,,,,,,,
100.000.806,200-886-0,75-62-7,Bromotrichloromethane,bromo(trichloro)methane,ClC(Cl)(Cl)Br,ClC(Cl)(Cl)Br,"InChI=1/CBrCl3/c2-1(3,4)5",CBrCl3,,,,,,XNNQFQFUQLJSQT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.808,200-888-1,75-64-9,tert-butylamine,2-methylpropan-2-amine,CC(C)(C)N,CC(C)(C)N,"InChI=1/C4H11N/c1-4(2,3)5/h5H2,1-3H3",C4H11N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1916,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.808,YBRBMKDOPFTVDT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.811,200-891-8,75-68-3,"1-chloro-1,1-difluoroethane","1-chloro-1,1-difluoroethane",CC(F)(F)Cl,CC(F)(F)Cl,"InChI=1/C2H3ClF2/c1-2(3,4)5/h1H3",C2H3ClF2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1966,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.811,BHNZEZWIUMJCGF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.812,200-892-3,75-69-4,Trichlorofluoromethane,trichloro(fluoro)methane,FC(Cl)(Cl)Cl,FC(Cl)(Cl)Cl,"InChI=1/CCl3F/c2-1(3,4)5",CCl3F,,,,,,CYRMSUTZVYGINF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.813,200-893-9,75-71-8,Dichlorodifluoromethane,dichloro(difluoro)methane,FC(F)(Cl)Cl,FC(F)(Cl)Cl,"InChI=1/CCl2F2/c2-1(3,4)5",CCl2F2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12142,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.813,PXBRQCKWGAHEHS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.815,200-896-5,75-73-0,Carbon tetrafluoride,tetrafluoromethane,FC(F)(F)F,FC(F)(F)F,"InChI=1/CF4/c2-1(3,4)5",CF4,,,,,,TXEYQDLBPFQVAA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.818,200-899-1,75-76-3,Tetramethylsilane,tetramethylsilane,C[Si](C)(C)C,C[Si](C)(C)C,"InChI=1/C4H12Si/c1-5(2,3)4/h1-4H3",C4H12Si,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14468,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.818,CZDYPVPMEAXLPK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.835,200-917-8,75-94-5,Trichloro(vinyl)silane,trichloro(vinyl)silane,Cl[Si](Cl)(Cl)C=C,Cl[Si](Cl)(Cl)C=C,"InChI=1/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2",C2H3Cl3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2048,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.835,GQIUQDDJKHLHTB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.836,200-918-3,75-95-6,Pentabromoethane,"1,1,1,2,2-pentabromoethane",BrC(Br)C(Br)(Br)Br,BrC(Br)C(Br)(Br)Br,"InChI=1/C2HBr5/c3-1(4)2(5,6)7/h1H",C2HBr5,,,,,,OGVPXEPSTZMAFF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.837,200-919-9,75-96-7,Tribromoacetic acid,tribromoacetic acid,OC(=O)C(Br)(Br)Br,OC(=O)C(Br)(Br)Br,"InChI=1/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)",C2HBr3O2,,,,,,QIONYIKHPASLHO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.297,201-426-1,82-48-4,"9,10-dioxoanthracene-1,8-disulphonic acid","9,10-dioxo-9,10-dihydroanthracene-1,8-disulfonic acid",OS(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)O,OS(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)O,"InChI=1/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)",C14H8O8S2,,,,,,IJNPIHLZSZCGOC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.299,201-428-2,82-50-8,"9,10-dihydro-5-nitro-9,10-dioxoanthracenesulphonic acid","5-nitro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid",OS(=O)(=O)c1cccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,OS(=O)(=O)c1cccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,"InChI=1/C14H7NO7S/c16-13-8-4-2-6-10(23(20,21)22)12(8)14(17)7-3-1-5-9(11(7)13)15(18)19/h1-6H,(H,20,21,22)",C14H7NO7S,,,,,,JFORTLRWSWJGGI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.308,201-438-7,82-76-8,8-anilinonaphthalene-1-sulphonic acid,8-anilinonaphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12,OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12,"InChI=1/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)",C16H13NO3S,,,,,,FWEOQOXTVHGIFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.309,201-439-2,82-77-9,"1-[2-(1,1-dimethylethyl)-4,6-dimethylphenyl]ethan-1-one","1-(2-tert-butyl-4,6-dimethylphenyl)ethanone",CC(=O)c1c(C)cc(C)cc1C(C)(C)C,CC(=O)c1c(C)cc(C)cc1C(C)(C)C,"InChI=1/C14H20O/c1-9-7-10(2)13(11(3)15)12(8-9)14(4,5)6/h7-8H,1-6H3",C14H20O,,,,,,GSFYTAZYMJWICZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.780,201-957-9,89-99-6,2-fluorobenzylamine,1-(2-fluorophenyl)methanamine,NCc1ccccc1F,NCc1ccccc1F,"InChI=1/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2",C7H8FN,,,,,,LRFWYBZWRQWZIM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.790,201-968-9,90-14-2,1-iodonaphthalene,1-iodonaphthalene,Ic1cccc2ccccc12,Ic1cccc2ccccc12,InChI=1/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C10H7I,,,,,,NHPPIJMARIVBGU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.793,201-972-0,90-17-5,"2,2,2-trichloro-1-phenylethyl acetate","2,2,2-trichloro-1-phenylethyl acetate",CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,"InChI=1/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3",C10H9Cl3O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5739,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.793,JKRWZLOCPLZZEI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.802,201-982-5,90-27-7,2-phenylbutyric acid,2-phenylbutanoic acid,CCC(C(=O)O)c1ccccc1,CCC(C(=O)O)c1ccccc1,"InChI=1/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)",C10H12O2,,,,,,OFJWFSNDPCAWDK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.803,201-983-0,90-30-2,N-1-naphthylaniline,N-phenylnaphthalen-1-amine,N(c1ccccc1)c2cccc3ccccc23,N(c1ccccc1)c2cccc3ccccc23,"InChI=1/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H",C16H13N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18078,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.803,XQVWYOYUZDUNRW-UHFFFAOYSA-N,Positive,SM812701;UF413901|UF413902|UF413903|UF413904,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,220.112:143.0729:92.0494;143.0735:220.1129:92.0498|143.0735:115.0547:128.0626|220.113:143.0736:205.0896|143.0735:205.0894:203.0863,CASMI_2016;UFZ,,,,,
100.001.809,201-989-3,90-40-4,"3-amino-5-hydroxynaphthalene-2,7-disulphonic acid","3-amino-5-hydroxynaphthalene-2,7-disulfonic acid",Nc1cc2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,Nc1cc2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)",C10H9NO7S2,,,,,,VNWVMZDJPMCAKD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.815,201-996-1,90-46-0,9H-xanthen-9-ol,9H-xanthen-9-ol,OC1c2ccccc2Oc3ccccc13,OC1c2ccccc2Oc3ccccc13,"InChI=1/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H",C13H10O2,,,,,,JFRMYMMIJXLMBB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.822,202-003-4,90-59-5,"3,5-dibromo-2-hydroxybenzaldehyde","3,5-dibromo-2-hydroxybenzaldehyde",Oc1c(Br)cc(Br)cc1C=O,Oc1c(Br)cc(Br)cc1C=O,"InChI=1/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H",C7H4Br2O2,,,,,,JHZOXYGFQMROFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.824,202-006-0,90-63-1,1-hydroxy-1-phenylacetone,1-hydroxy-1-phenylacetone,CC(=O)C(O)c1ccccc1,CC(=O)C(O)c1ccccc1,"InChI=1/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3",C9H10O2,,,,,,ZBFFNPODXBJBPW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.829,202-011-8,90-68-6,"2,6-bis[[3-(tert-butyl)-2-hydroxy-5-tolyl]methyl]-4-methylphenol","2,2'-[(2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis(6-tert-butyl-4-methylphenol)",Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(Cc3cc(C)cc(c3O)C(C)(C)C)c1,Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(Cc3cc(C)cc(c3O)C(C)(C)C)c1,"InChI=1/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3",C31H40O3,,,,,,LKALLEFLBKHPTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.830,202-012-3,90-69-7,Lobeline,2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone,CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3,CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3,"InChI=1/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3",C22H27NO2,,,,,,MXYUKLILVYORSK-HBMCJLEFSA-N,,,,,,,,,,,
100.001.832,202-014-4,90-74-4,6-O-(6-deoxy-a-L-mannopyranosyl)-D-glucose,6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucose,C[C@@H]1O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C12H22O10/c1-4-7(16)10(19)11(20)12(22-4)21-3-6(15)9(18)8(17)5(14)2-13/h2,4-12,14-20H,3H2,1H3",C12H22O10,,,,,,CPYCUQCIDSHOHI-IFLAJBTPSA-N,,,,,,,,,,,
100.001.840,202-023-3,90-89-1,Diethylcarbamazine,"N,N-diethyl-4-methylpiperazine-1-carboxamide",CCN(CC)C(=O)N1CCN(C)CC1,CCN(CC)C(=O)N1CCN(C)CC1,"InChI=1/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3",C10H21N3O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6775,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.840,RCKMWOKWVGPNJF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.841,202-024-9,90-90-4,4-bromobenzophenone,(4-bromophenyl)(phenyl)methanone,Brc1ccc(cc1)C(=O)c2ccccc2,Brc1ccc(cc1)C(=O)c2ccccc2,InChI=1/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,C13H9BrO,,,,,,KEOLYBMGRQYQTN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.842,202-025-4,90-93-7,"4,4'-bis(diethylamino)benzophenone",bis[4-(diethylamino)phenyl]methanone,CCN(CC)c1ccc(cc1)C(=O)c2ccc(cc2)N(CC)CC,CCN(CC)c1ccc(cc1)C(=O)c2ccc(cc2)N(CC)CC,"InChI=1/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3",C21H28N2O,,,,,,VYHBFRJRBHMIQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.843,202-027-5,90-94-8,"4,4'-bis(dimethylamino)benzophenone",bis[4-(dimethylamino)phenyl]methanone,CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C,CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C,"InChI=1/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3",C17H20N2O,,,,,,VVBLNCFGVYUYGU-UHFFFAOYSA-N,Positive,SM812301;UF414401|UF414402|UF414403|UF414404,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,148.0755:269.1647:120.0807;148.0763:79.0546:105.0578|148.0763:105.0577:79.0545|148.0764:91.0547:199.0627|148.0763:91.0547,CASMI_2016;UFZ,,,,,
100.001.848,202-032-2,91-00-9,Benzhydrylamine,"1,1-diphenylmethanamine",NC(c1ccccc1)c2ccccc2,NC(c1ccccc1)c2ccccc2,"InChI=1/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2",C13H13N,,,,,,MGHPNCMVUAKAIE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.937,204-330-8,119-52-8,"4,4'-anisoin","2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone",COc1ccc(cc1)C(O)C(=O)c2ccc(OC)cc2,COc1ccc(cc1)C(O)C(=O)c2ccc(OC)cc2,"InChI=1/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3",C16H16O4,,,,,,LRRQSCPPOIUNGX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.940,204-333-4,119-56-2,4-chlorobenzhydryl alcohol,(4-chlorophenyl)(phenyl)methanol,OC(c1ccccc1)c2ccc(Cl)cc2,OC(c1ccccc1)c2ccc(Cl)cc2,"InChI=1/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H",C13H11ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6984,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.940,AJYOOHCNOXWTKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.941,204-335-5,119-58-4,"4,4'-bis(dimethylamino)benzhydryl alcohol",bis[4-(dimethylamino)phenyl]methanol,CN(C)c1ccc(cc1)C(O)c2ccc(cc2)N(C)C,CN(C)c1ccc(cc1)C(O)c2ccc(cc2)N(C)C,"InChI=1/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3",C17H22N2O,,,,,,YLZSIUVOIFJGQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.949,204-343-9,119-68-6,N-methylanthranilic acid,2-(methylamino)benzoic acid,CNc1ccccc1C(=O)O,CNc1ccccc1C(=O)O,"InChI=1/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)",C8H9NO2,,,,,,WVMBPWMAQDVZCM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.950,204-344-4,119-70-0,5-amino-2-(p-aminoanilino)benzenesulphonic acid,5-amino-2-[(4-aminophenyl)amino]benzenesulfonic acid,Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,"InChI=1/C12H13N3O3S/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)",C12H13N3O3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12178,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.950,VKURVCNKVWKGLX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.951,204-346-5,119-72-2,5-amino-2-[2-(4-nitro-2-sulphophenyl)vinyl]benzenesulphonic acid,5-amino-2-[2-(4-nitro-2-sulfophenyl)vinyl]benzenesulfonic acid,Nc1ccc(\\C=C\\c2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])c(c1)S(=O)(=O)O,Nc1ccc(\C=C\c2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])c(c1)S(=O)(=O)O,"InChI=1/C14H12N2O8S2/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24/h1-8H,15H2,(H,19,20,21)(H,22,23,24)",C14H12N2O8S2,,,,,,GHBWBMDGBCKAQU-OWOJBTEDSA-N,,,,,,,,,,,
100.003.957,204-352-8,119-80-2,"2,2'-dithiodi(benzoic acid)","2,2'-disulfanediyldibenzoic acid",OC(=O)c1ccccc1SSc2ccccc2C(=O)O,OC(=O)c1ccccc1SSc2ccccc2C(=O)O,"InChI=1/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)",C14H10O4S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11157,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.957,LBEMXJWGHIEXRA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.958,204-353-3,119-81-3,4'-methoxy-2'-nitroacetanilide,N-(4-methoxy-2-nitrophenyl)acetamide,COc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],COc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],"InChI=1/C9H10N2O4/c1-6(12)10-8-4-3-7(15-2)5-9(8)11(13)14/h3-5H,1-2H3,(H,10,12)",C9H10N2O4,,,,,,QGEGALJODPBPGR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.961,204-357-5,119-91-5,"2,2'-biquinolyl","2,2'-biquinoline",c1ccc2nc(ccc2c1)c3ccc4ccccc4n3,c1ccc2nc(ccc2c1)c3ccc4ccccc4n3,InChI=1/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H,C18H12N2,,,,,,WPTCSQBWLUUYDV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.964,204-360-1,119-95-9,3-[N-(2-hydroxyethyl)-m-toluidino]propiononitrile,3-[(2-hydroxyethyl)(3-methylphenyl)amino]propanenitrile,Cc1cccc(c1)N(CCO)CCC#N,Cc1cccc(c1)N(CCO)CCC#N,"InChI=1/C12H16N2O/c1-11-4-2-5-12(10-11)14(8-9-15)7-3-6-13/h2,4-5,10,15H,3,7-9H2,1H3",C12H16N2O,,,,,,OSNNWHRYDJYFJL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.965,204-361-7,119-96-0,Arsthinol,"N-{2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl}acetamide",CC(=O)Nc1cc(ccc1O)[As]2SCC(CO)S2,CC(=O)Nc1cc(ccc1O)[As]2SCC(CO)S2,"InChI=1/C11H14AsNO3S2/c1-7(15)13-10-4-8(2-3-11(10)16)12-17-6-9(5-14)18-12/h2-4,9,14,16H,5-6H2,1H3,(H,13,15)",C11H14AsNO3S2,,,,,,MRUDSZSRLQAPOG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.607,203-967-9,112-40-3,Dodecane,dodecane,CCCCCCCCCCCC,CCCCCCCCCCCC,"InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3",C12H26,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13433,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.607,SNRUBQQJIBEYMU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.608,203-968-4,112-41-4,Dodec-1-ene,dodec-1-ene,CCCCCCCCCCC=C,CCCCCCCCCCC=C,"InChI=1/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3",C12H24,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15280,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.608,CRSBERNSMYQZNG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.609,203-970-5,112-42-5,Undecan-1-ol,undecan-1-ol,CCCCCCCCCCCO,CCCCCCCCCCCO,"InChI=1/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3",C11H24O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2096,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.609,KJIOQYGWTQBHNH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.612,203-973-1,112-45-8,Undec-10-enal,undec-10-enal,C=CCCCCCCCCC=O,C=CCCCCCCCCC=O,"InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2",C11H20O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12737,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.612,OFHHDSQXFXLTKC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.617,203-978-9,112-50-5,2-(2-(2-ethoxyethoxy)ethoxy)ethanol,2-[2-(2-ethoxyethoxy)ethoxy]ethanol,CCOCCOCCOCCO,CCOCCOCCOCCO,"InChI=1/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3",C8H18O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13834,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.617,WFSMVVDJSNMRAR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.629,203-992-5,112-62-9,Methyl oleate,methyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OC,CCCCCCCC\C=C/CCCCCCCC(=O)OC,"InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3",C19H36O2,,,,,,QYDYPVFESGNLHU-KHPPLWFESA-N,,,,,,,,,,,
100.001.995,202-193-9,92-82-0,Phenazine,phenazine,c1ccc2nc3ccccc3nc2c1,c1ccc2nc3ccccc3nc2c1,InChI=1/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H,C12H8N2,,,,,,PCNDJXKNXGMECE-UHFFFAOYSA-N,Positive,SM812904,[M+H]+,HCD35,181.0758:111.0231:121.0076,CASMI_2016,,,,,
100.001.999,202-198-6,92-86-4,"4,4'-dibromobiphenyl","4,4'-dibromobiphenyl",Brc1ccc(cc1)c2ccc(Br)cc2,Brc1ccc(cc1)c2ccc(Br)cc2,InChI=1/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,C12H8Br2,,,,,,HQJQYILBCQPYBI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.002,202-201-0,92-89-7,"4'-nitro[1,1'-biphenyl]-4-carboxylic acid",4'-nitrobiphenyl-4-carboxylic acid,OC(=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],OC(=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H9NO4/c15-13(16)11-3-1-9(2-4-11)10-5-7-12(8-6-10)14(17)18/h1-8H,(H,15,16)",C13H9NO4,,,,,,LYINHPAEAYJDIR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.007,202-206-8,92-98-8,[2-(N-ethylanilino)ethyl]trimethylammonium chloride,"2-[ethyl(phenyl)amino]-N,N,N-trimethylethanaminium chloride",[Cl-].CCN(CC[N+](C)(C)C)c1ccccc1,[Cl-].CCN(CC[N+](C)(C)C)c1ccccc1,"InChI=1/C13H23N2.ClH/c1-5-14(11-12-15(2,3)4)13-9-7-6-8-10-13;/h6-10H,5,11-12H2,1-4H3;1H/q+1;/p-1",C13H23N2.Cl,,,,,,LJJPQCFMNPGTLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.002.008,202-207-3,92-99-9,"N,N,2-trimethylquinolin-6-amine","N,N,2-trimethylquinolin-6-amine",CN(C)c1ccc2nc(C)ccc2c1,CN(C)c1ccc2nc(C)ccc2c1,"InChI=1/C12H14N2/c1-9-4-5-10-8-11(14(2)3)6-7-12(10)13-9/h4-8H,1-3H3",C12H14N2,,,,,,JGRWYZQONRFIFH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.009,202-208-9,93-00-5,6-aminonaphthalene-2-sulphonic acid,6-aminonaphthalene-2-sulfonic acid,Nc1ccc2cc(ccc2c1)S(=O)(=O)O,Nc1ccc2cc(ccc2c1)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17734,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.009,SEMRCUIXRUXGJX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.014,202-214-1,93-05-0,"4-amino-N,N-diethylaniline","N,N-diethylbenzene-1,4-diamine",CCN(CC)c1ccc(N)cc1,CCN(CC)c1ccc(N)cc1,"InChI=1/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3",C10H16N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7727,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.014,QNGVNLMMEQUVQK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.021,202-222-5,93-14-1,Guaifenesin,"3-(2-methoxyphenoxy)propane-1,2-diol",COc1ccccc1OCC(O)CO,COc1ccccc1OCC(O)CO,"InChI=1/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3",C10H14O4,,,,,,HSRJKNPTNIJEKV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.022,202-223-0,93-15-2,4-allylveratrole,"4-allyl-1,2-dimethoxybenzene",COc1ccc(CC=C)cc1OC,COc1ccc(CC=C)cc1OC,"InChI=1/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C11H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16390,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.022,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.023,202-224-6,93-16-3,4-prop-1-enylveratrole,"1,2-dimethoxy-4-prop-1-en-1-ylbenzene",COc1cc(ccc1OC)C=CC,COc1cc(ccc1OC)C=CC,"InChI=1/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3",C11H14O2,,,,,,NNWHUJCUHAELCL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.028,202-229-3,93-21-0,(2-naphthylthio)acetic acid,(2-naphthylsulfanyl)acetic acid,OC(=O)CSc1ccc2ccccc2c1,OC(=O)CSc1ccc2ccccc2c1,"InChI=1/C12H10O2S/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)",C12H10O2S,,,,,,VMZMOCBDKZHRGU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.038,202-240-3,93-35-6,7-hydroxycoumarin,7-hydroxy-2H-chromen-2-one,Oc1ccc2C=CC(=O)Oc2c1,Oc1ccc2C=CC(=O)Oc2c1,"InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",C9H6O3,,,,,,ORHBXUUXSCNDEV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.041,202-244-5,93-40-3,"3,4-dimethoxyphenylacetic acid","(3,4-dimethoxyphenyl)acetic acid",COc1ccc(CC(=O)O)cc1OC,COc1ccc(CC(=O)O)cc1OC,"InChI=1/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)",C10H12O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17872,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.041,WUAXWQRULBZETB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.043,202-246-6,93-43-6,2-naphthyl lactate,2-naphthyl 2-hydroxypropanoate,CC(O)C(=O)Oc1ccc2ccccc2c1,CC(O)C(=O)Oc1ccc2ccccc2c1,"InChI=1/C13H12O3/c1-9(14)13(15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,14H,1H3",C13H12O3,,,,,,RTXHNOBSQMHTSB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.045,202-248-7,93-45-8,p-(2-naphthylamino)phenol,4-(2-naphthylamino)phenol,Oc1ccc(Nc2ccc3ccccc3c2)cc1,Oc1ccc(Nc2ccc3ccccc3c2)cc1,"InChI=1/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H",C16H13NO,,,,,,RACMGQBQYYWANW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.051,202-255-5,93-53-8,Hydratropaldehyde,hydratropaldehyde,CC(C=O)c1ccccc1,CC(C=O)c1ccccc1,"InChI=1/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3",C9H10O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17307,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.051,IQVAERDLDAZARL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.053,202-257-6,93-55-0,Propiophenone,propiophenone,CCC(=O)c1ccccc1,CCC(=O)c1ccccc1,"InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C9H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11044,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.053,KRIOVPPHQSLHCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.055,202-259-7,93-58-3,Methyl benzoate,methyl benzoate,COC(=O)c1ccccc1,COC(=O)c1ccccc1,"InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",C8H8O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13833,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.055,QPJVMBTYPHYUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.310,201-440-8,82-82-6,3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid,3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid,Cc1ncc(CO)c(C(=O)O)c1O,Cc1ncc(CO)c(C(=O)O)c1O,"InChI=1/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)",C8H9NO4,,,,,,HXACOUQIXZGNBF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.318,201-449-7,82-98-4,Piperidolate,1-ethylpiperidin-3-yl diphenylacetate,CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3,CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3,"InChI=1/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3",C21H25NO2,,,,,,KTHVBAZBLKXIHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.319,201-450-2,83-01-2,Diphenylcarbamoyl chloride,diphenylcarbamic chloride,ClC(=O)N(c1ccccc1)c2ccccc2,ClC(=O)N(c1ccccc1)c2ccccc2,InChI=1/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C13H10ClNO,,,,,,XNBKKRFABABBPM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.328,201-460-7,83-23-8,"4-amino-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid","4-amino-5-[(phenylsulfonyl)oxy]naphthalene-2,7-disulfonic acid",Nc1cc(cc2cc(cc(OS(=O)(=O)c3ccccc3)c12)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(cc2cc(cc(OS(=O)(=O)c3ccccc3)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C16H13NO9S3/c17-14-8-12(27(18,19)20)6-10-7-13(28(21,22)23)9-15(16(10)14)26-29(24,25)11-4-2-1-3-5-11/h1-9H,17H2,(H,18,19,20)(H,21,22,23)",C16H13NO9S3,,,,,,SZDWYKHYOOGWOF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.333,201-465-4,83-29-4,5-(sec-pentyl)barbituric acid,"5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCCC(C)C1C(=O)NC(=O)NC1=O,CCCC(C)C1C(=O)NC(=O)NC1=O,"InChI=1/C9H14N2O3/c1-3-4-5(2)6-7(12)10-9(14)11-8(6)13/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)",C9H14N2O3,,,,,,QSELDKYOARDOCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.349,201-483-2,83-49-8,"3-a,6-a-dihydroxy-5-ß-cholan-24-oic acid","3,7-dihydroxycholan-24-oic acid",CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)",C24H40O4,,,,,,RUDATBOHQWOJDD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.350,201-484-8,83-53-4,"1,4-dibromonaphthalene","1,4-dibromonaphthalene",Brc1ccc(Br)c2ccccc12,Brc1ccc(Br)c2ccccc12,InChI=1/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,C10H6Br2,,,,,,IBGUDZMIAZLJNY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.353,201-487-4,83-56-7,"Naphthalene-1,5-diol","naphthalene-1,5-diol",Oc1cccc2c(O)cccc12,Oc1cccc2c(O)cccc12,"InChI=1/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H",C10H8O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6013,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.353,BOKGTLAJQHTOKE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.359,201-494-2,83-67-0,Theobromine,"3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)NC(=O)c2c1ncn2C,CN1C(=O)NC(=O)c2c1ncn2C,"InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)",C7H8N4O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17899,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.359,YAPQBXQYLJRXSA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.361,201-496-3,83-72-7,"2-hydroxy-1,4-naphthoquinone","2-hydroxy-1,4-naphthoquinone",OC1=CC(=O)c2ccccc2C1=O,OC1=CC(=O)c2ccccc2C1=O,"InChI=1/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H",C10H6O3,,,,,,CSFWPUWCSPOLJW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.364,201-500-3,83-75-0,Ethyl quinine carbonate,ethyl 6'-methoxycinchonan-9-yl carbonate,CCOC(=O)OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC)cc34,CCOC(=O)OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC)cc34,"InChI=1/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3",C23H28N2O4,,,,,,NSBRKSWSLRQPJW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.367,201-504-5,83-81-8,"N,N,N',N'-tetraethylphthalamide","N,N,N',N'-tetraethylphthalamide",CCN(CC)C(=O)c1ccccc1C(=O)N(CC)CC,CCN(CC)C(=O)c1ccccc1C(=O)N(CC)CC,"InChI=1/C16H24N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3",C16H24N2O2,,,,,,OPTBBAGXQYOFTL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.368,201-505-0,83-83-0,"4,4'-diamino-5,5'-dimethylbiphenyl-2,2'-disulphonic acid","4,4'-diamino-5,5'-dimethylbiphenyl-2,2'-disulfonic acid",Cc1cc(c2cc(C)c(N)cc2S(=O)(=O)O)c(cc1N)S(=O)(=O)O,Cc1cc(c2cc(C)c(N)cc2S(=O)(=O)O)c(cc1N)S(=O)(=O)O,"InChI=1/C14H16N2O6S2/c1-7-3-9(13(5-11(7)15)23(17,18)19)10-4-8(2)12(16)6-14(10)24(20,21)22/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22)",C14H16N2O6S2,,,,,,PHICKPBIPXXFIP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.370,201-507-1,83-88-5,Riboflavin,"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol",Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,"InChI=1/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)",C17H20N4O6,,,,,,AUNGANRZJHBGPY-SCRDCRAPSA-N,,,,,,,,,,,
100.001.849,202-033-8,91-01-0,Benzhydryl alcohol,diphenylmethanol,OC(c1ccccc1)c2ccccc2,OC(c1ccccc1)c2ccccc2,"InChI=1/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H",C13H12O,,,,,,QILSFLSDHQAZET-UHFFFAOYSA-N,,,,,,,,,,,
100.001.851,202-035-9,91-03-2,2-benzoylpropyldimethylammonium chloride,"N,N,2-trimethyl-3-oxo-3-phenylpropan-1-aminium chloride",[Cl-].CC(C[NH+](C)C)C(=O)c1ccccc1,[Cl-].CC(C[NH+](C)C)C(=O)c1ccccc1,"InChI=1/C12H17NO.ClH/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H",C12H17NO,,,,,,GYSQNNVBFRLOQW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.853,202-038-5,91-06-5,"2-bromo-1,3,5-triethylbenzene","2-bromo-1,3,5-triethylbenzene",CCc1cc(CC)c(Br)c(CC)c1,CCc1cc(CC)c(Br)c(CC)c1,"InChI=1/C12H17Br/c1-4-9-7-10(5-2)12(13)11(6-3)8-9/h7-8H,4-6H2,1-3H3",C12H17Br,,,,,,GYPGUOPEQLYKQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.855,202-040-6,91-09-8,Methyl a-D-xylopyranoside,methyl alpha-D-xylopyranoside,CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O,CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3",C6H12O5,,,,,,ZBDGHWFPLXXWRD-MOJAZDJTSA-N,,,,,,,,,,,
100.001.859,202-044-8,91-15-6,Phthalonitrile,phthalonitrile,N#Cc1ccccc1C#N,N#Cc1ccccc1C#N,InChI=1/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,C8H4N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1983,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.859,XQZYPMVTSDWCCE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.866,202-052-1,91-23-6,2-nitroanisole,1-methoxy-2-nitrobenzene,COc1ccccc1[N+](=O)[O-],COc1ccccc1[N+](=O)[O-],"InChI=1/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3",C7H7NO3,,,,,,CFBYEGUGFPZCNF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.869,202-055-8,91-27-0,2-[(2-methoxyphenyl)amino]-5-nitrobenzenesulphonic acid,2-[(2-methoxyphenyl)amino]-5-nitrobenzenesulfonic acid,COc1ccccc1Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-],COc1ccccc1Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C13H12N2O6S/c1-21-12-5-3-2-4-10(12)14-11-7-6-9(15(16)17)8-13(11)22(18,19)20/h2-8,14H,1H3,(H,18,19,20)",C13H12N2O6S,,,,,,UVZAZEGYBWJOKY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.876,202-063-1,91-35-0,2-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid,2-{[(3-amino-4-hydroxyphenyl)sulfonyl]amino}benzoic acid,Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2C(=O)O,Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2C(=O)O,"InChI=1/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)",C13H12N2O5S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11141,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.876,ISDVREGLMJJFJG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.878,202-065-2,91-38-3,4-chloro-2-(4-methoxyphenyl)anthranilic acid,4-chloro-2-[(4-methoxyphenyl)amino]benzoic acid,O=C(O)c2ccc(Cl)cc2Nc1ccc(OC)cc1,O=C(O)c2ccc(Cl)cc2Nc1ccc(OC)cc1,"InChI=1/C14H12ClNO3/c1-19-11-5-3-10(4-6-11)16-13-8-9(15)2-7-12(13)14(17)18/h2-8,16H,1H3,(H,17,18)",C14H12ClNO3,,,,,,KAERBVZTGPZZHW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.886,202-074-1,91-52-1,"2,4-dimethoxybenzoic acid","2,4-dimethoxybenzoic acid",COc1ccc(C(=O)O)c(OC)c1,COc1ccc(C(=O)O)c(OC)c1,"InChI=1/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)",C9H10O4,,,,,,GPVDHNVGGIAOQT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.891,202-079-9,91-58-7,2-chloronaphthalene,2-chloronaphthalene,Clc1ccc2ccccc2c1,Clc1ccc2ccccc2c1,InChI=1/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,C10H7Cl,,,,,,CGYGETOMCSJHJU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.893,202-082-5,91-60-1,Naphthalene-2-thiol,naphthalene-2-thiol,Sc1ccc2ccccc2c1,Sc1ccc2ccccc2c1,"InChI=1/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",C10H8S,,,,,,RFCQDOVPMUSZMN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.898,202-087-2,91-65-6,Cyclohexyldiethylamine,"N,N-diethylcyclohexanamine",CCN(CC)C1CCCCC1,CCN(CC)C1CCCCC1,"InChI=1/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3",C10H21N,,,,,,CIXSDMKDSYXUMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.900,202-089-3,91-67-8,"N,N-diethyl-m-toluidine","N,N-diethyl-3-methylaniline",CCN(CC)c1cccc(C)c1,CCN(CC)c1cccc(C)c1,"InChI=1/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",C11H17N,,,,,,CIPVVROJHKLHJI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.903,202-093-5,91-73-6,"N,N-dibenzylaniline","N,N-dibenzylaniline",C(N(Cc1ccccc1)c2ccccc2)c3ccccc3,C(N(Cc1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C20H19N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-15H,16-17H2",C20H19N,,,,,,ISGXOWLMGOPVPB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.905,202-095-6,91-76-9,"6-phenyl-1,3,5-triazine-2,4-diyldiamine","6-phenyl-1,3,5-triazine-2,4-diamine",Nc1nc(N)nc(n1)c2ccccc2,Nc1nc(N)nc(n1)c2ccccc2,"InChI=1/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)",C9H9N5,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14934,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.905,GZVHEAJQGPRDLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.907,202-097-7,91-78-1,"Hexahydro-1,3,5-triphenyl-1,3,5-triazine","1,3,5-triphenyl-1,3,5-triazinane",C1N(CN(CN1c2ccccc2)c3ccccc3)c4ccccc4,C1N(CN(CN1c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2",C21H21N3,,,,,,VASMRQAVWVVDPA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.416,202-657-0,98-32-8,3-amino-4-hydroxybenzenesulphonamide,3-amino-4-hydroxybenzenesulfonamide,Nc1cc(ccc1O)S(=O)(=O)N,Nc1cc(ccc1O)S(=O)(=O)N,"InChI=1/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)",C6H8N2O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10077,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.416,AVQFHKYAVVQYQO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.630,203-993-0,112-63-0,Methyl linoleate,"methyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC,"InChI=1/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3",C19H34O2,,,,,,WTTJVINHCBCLGX-NQLNTKRDSA-N,,,,,,,,,,,
100.003.633,203-996-7,112-67-4,Palmitoyl chloride,hexadecanoyl chloride,CCCCCCCCCCCCCCCC(=O)Cl,CCCCCCCCCCCCCCCC(=O)Cl,"InChI=1/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3",C16H31ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12232,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.633,ARBOVOVUTSQWSS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.635,203-998-8,112-70-9,Tridecan-1-ol,tridecan-1-ol,CCCCCCCCCCCCCO,CCCCCCCCCCCCCO,"InChI=1/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3",C13H28O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17532,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.635,XFRVVPUIAFSTFO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.640,204-004-5,112-76-5,Stearoyl chloride,octadecanoyl chloride,CCCCCCCCCCCCCCCCCC(=O)Cl,CCCCCCCCCCCCCCCCCC(=O)Cl,"InChI=1/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3",C18H35ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12664,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.640,WTBAHSZERDXKKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.642,204-006-6,112-79-8,Elaidic acid,octadec-9-enoic acid,CCCCCCCC\\C=C\\CCCCCCCC(=O)O,CCCCCCCC\C=C\CCCCCCCC(=O)O,"InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)",C18H34O2,,,,,,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,,,,,,,,,,,
100.003.648,204-012-9,112-88-9,Octadec-1-ene,octadec-1-ene,CCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCC=C,"InChI=1/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3",C18H36,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2000,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.648,CCCMONHAUSKTEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.654,204-019-7,112-96-9,Octadecyl isocyanate,1-isocyanatooctadecane,CCCCCCCCCCCCCCCCCCN=C=O,CCCCCCCCCCCCCCCCCCN=C=O,"InChI=1/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3",C19H37NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10335,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.654,QWDQYHPOSSHSAW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.656,204-021-8,113-00-8,Guanidine,guanidine,NC(=N)N,NC(=N)N,"InChI=1/CH5N3/c2-1(3)4/h(H5,2,3,4)",CH5N3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17100,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.656,ZRALSGWEFCBTJO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.675,204-042-2,114-25-0,Biliverdin,biliverdin,CC1=C(C=C)\\C(=C\\c2[nH]c(\\C=C\\3/N=C(\\C=C\\4/NC(=O)C(=C4C)C=C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C)\\NC1=O,CC1=C(C=C)\C(=C\c2[nH]c(\C=C\3/N=C(\C=C\4/NC(=O)C(=C4C)C=C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C)\NC1=O,"InChI=1/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)",C33H34N4O6,,,,,,QBUVFDKTZJNUPP-BBROENKCSA-N,,,,,,,,,,,
100.003.680,204-048-5,114-43-2,Desaspidin,"2-butyryl-6-(3-butyryl-2,4-dihydroxy-6-methoxybenzyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one",CCCC(=O)C1=C(O)C(C)(C)C(=C(Cc2c(O)c(C(=O)CCC)c(O)cc2OC)C1=O)O,CCCC(=O)C1=C(O)C(C)(C)C(=C(Cc2c(O)c(C(=O)CCC)c(O)cc2OC)C1=O)O,"InChI=1/C24H30O8/c1-6-8-14(25)18-16(27)11-17(32-5)12(20(18)28)10-13-21(29)19(15(26)9-7-2)23(31)24(3,4)22(13)30/h11,27-28,30-31H,6-10H2,1-5H3",C24H30O8,,,,,,GAHOBHHMYUYJDT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.683,204-051-1,114-63-6,Sodium 4-hydroxybenzoate,sodium 4-hydroxybenzoate,[Na+].Oc1ccc(cc1)C(=O)[O-],[Na+].Oc1ccc(cc1)C(=O)[O-],"InChI=1/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",C7H6O3.Na,,,,,,ZLVSYODPTJZFMK-UHFFFAOYSA-M,,,,,,,,,,,
100.003.687,204-055-3,114-83-0,2'-phenylacetohydrazide,N'-phenylacetohydrazide,CC(=O)NNc1ccccc1,CC(=O)NNc1ccccc1,"InChI=1/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)",C8H10N2O,,,,,,UICBCXONCUFSOI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.688,204-056-9,114-85-2,"1-benzyl-2,3-dimethylguanidinium sulphate (2:1)",bis[N-benzyl(methylamino)(methylimino)methanaminium] sulfate,CN\\C(=N/C)\\[NH2+]Cc1ccccc1.CN\\C(=N/C)\\[NH2+]Cc2ccccc2.[O-]S(=O)(=O)[O-],CN\C(=N/C)\[NH2+]Cc1ccccc1.CN\C(=N/C)\[NH2+]Cc2ccccc2.[O-]S(=O)(=O)[O-],"InChI=1/2C10H15N3.H2O4S/c2*1-11-10(12-2)13-8-9-6-4-3-5-7-9;1-5(2,3)4/h2*3-7H,8H2,1-2H3,(H2,11,12,13);(H2,1,2,3,4)",C10H15N3.1/2H2O4S,,,,,,YTIJUXVIZLYQTB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.700,204-070-5,115-19-5,2-methylbut-3-yn-2-ol,2-methylbut-3-yn-2-ol,CC(C)(O)C#C,CC(C)(O)C#C,"InChI=1/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3",C5H8O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6633,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.700,CEBKHWWANWSNTI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.704,204-074-7,115-24-2,"2,2-bis(ethylsulphonyl)propane","2,2-bis(ethylsulfonyl)propane",CCS(=O)(=O)C(C)(C)S(=O)(=O)CC,CCS(=O)(=O)C(C)(C)S(=O)(=O)CC,"InChI=1/C7H16O4S2/c1-5-12(8,9)7(3,4)13(10,11)6-2/h5-6H2,1-4H3",C7H16O4S2,,,,,,CESKLHVYGRFMFP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.709,204-079-4,115-29-7,Endosulfan,"6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide",ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl,"InChI=1/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2",C9H6Cl6O3S,,,,,,RDYMFSUJUZBWLH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.711,204-082-0,115-32-2,Dicofol,"2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol",OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,"InChI=1/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H",C14H9Cl5O,,,,,,UOAMTSKGCBMZTC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.062,202-267-0,93-68-5,2'-methylacetoacetanilide,N-(2-methylphenyl)-3-oxobutanamide,CC(=O)CC(=O)Nc1ccccc1C,CC(=O)CC(=O)Nc1ccccc1C,"InChI=1/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)",C11H13NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14256,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.062,TVZIWRMELPWPPR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.070,202-275-4,93-78-7,"Isopropyl 2,4,5-trichlorophenoxyacetate","isopropyl (2,4,5-trichlorophenoxy)acetate",CC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl,CC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C11H11Cl3O3/c1-6(2)17-11(15)5-16-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5H2,1-2H3",C11H11Cl3O3,,,,,,SXHQLHGHMREHMX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.072,202-278-0,93-80-1,"2,4,5-TB","4-(2,4,5-trichlorophenoxy)butanoic acid",OC(=O)CCCOc1cc(Cl)c(Cl)cc1Cl,OC(=O)CCCOc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C10H9Cl3O3/c11-6-4-8(13)9(5-7(6)12)16-3-1-2-10(14)15/h4-5H,1-3H2,(H,14,15)",C10H9Cl3O3,,,,,,RTWCZQFXFMXXKP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.075,202-281-7,93-83-4,"N,N-bis(2-hydroxyethyl)oleamide","N,N-bis(2-hydroxyethyl)octadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCO)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)N(CCO)CCO,"InChI=1/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3",C22H43NO3,,,,,,LPMBTLLQQJBUOO-KTKRTIGZSA-N,,,,,,,,,,,
100.002.080,202-286-4,93-91-4,"1-phenylbutane-1,3-dione","1-phenylbutane-1,3-dione",CC(=O)CC(=O)c1ccccc1,CC(=O)CC(=O)c1ccccc1,"InChI=1/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3",C10H10O2,,,,,,CVBUKMMMRLOKQR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.085,202-292-7,93-98-1,Benzanilide,N-phenylbenzamide,O=C(Nc1ccccc1)c2ccccc2,O=C(Nc1ccccc1)c2ccccc2,"InChI=1/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)",C13H11NO,,,,,,ZVSKZLHKADLHSD-UHFFFAOYSA-N,Positive,SM808102,[M+H]+,HCD35,105.0334:198.0912:120.0443,CASMI_2016,,,,,
100.002.087,202-294-8,94-01-9,m-phenylene dibenzoate,"1,3-phenylene dibenzoate",O=C(Oc1cccc(OC(=O)c2ccccc2)c1)c3ccccc3,O=C(Oc1cccc(OC(=O)c2ccccc2)c1)c3ccccc3,InChI=1/C20H14O4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H,C20H14O4,,,,,,SUQGLJRNDJRARS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.096,202-305-6,94-11-1,"Isopropyl 2,4-dichlorophenoxyacetate","isopropyl (2,4-dichlorophenoxy)acetate",CC(C)OC(=O)COc1ccc(Cl)cc1Cl,CC(C)OC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3",C11H12Cl2O3,,,,,,WHOKDONDRZNCBC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.098,202-307-7,94-13-3,Propyl 4-hydroxybenzoate,propyl 4-hydroxybenzoate,CCCOC(=O)c1ccc(O)cc1,CCCOC(=O)c1ccc(O)cc1,"InChI=1/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",C10H12O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13890,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.098,QELSKZZBTMNZEB-UHFFFAOYSA-N,Negative,,,,,,SM864653,[M-H]-,HCD35,179.0714:136.0166:137.0244,CASMI_2016
100.002.100,202-309-8,94-16-6,Sodium 4-aminohippurate,sodium [(4-aminobenzoyl)amino]acetate,[Na+].Nc1ccc(cc1)C(=O)NCC(=O)[O-],[Na+].Nc1ccc(cc1)C(=O)NCC(=O)[O-],"InChI=1/C9H10N2O3.Na/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;/h1-4H,5,10H2,(H,11,14)(H,12,13);/q;+1/p-1",C9H10N2O3.Na,,,,,,UNZMYCAEMNVPHX-UHFFFAOYSA-M,,,,,,,,,,,
100.002.106,202-316-6,94-24-6,Tetracaine,2-(dimethylamino)ethyl 4-(butylamino)benzoate,CCCCNc1ccc(cc1)C(=O)OCCN(C)C,CCCCNc1ccc(cc1)C(=O)OCCN(C)C,"InChI=1/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3",C15H24N2O2,,,,,,GKCBAIGFKIBETG-UHFFFAOYSA-N,Positive,SM862001,[M+H]+,HCD35,176.107:72.0808:265.1911,CASMI_2016,,,,,
100.002.107,202-317-1,94-25-7,Butyl 4-aminobenzoate,butyl 4-aminobenzoate,CCCCOC(=O)c1ccc(N)cc1,CCCCOC(=O)c1ccc(N)cc1,"InChI=1/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3",C11H15NO2,,,,,,IUWVALYLNVXWKX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.113,202-323-4,94-33-7,2-hydroxyethyl benzoate,2-hydroxyethyl benzoate,OCCOC(=O)c1ccccc1,OCCOC(=O)c1ccccc1,"InChI=1/C9H10O3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2",C9H10O3,,,,,,LSWRBVSEWBWTDR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.115,202-326-0,94-35-9,Styramate,2-hydroxy-2-phenylethyl carbamate,NC(=O)OCC(O)c1ccccc1,NC(=O)OCC(O)c1ccccc1,"InChI=1/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)",C9H11NO3,,,,,,OCSOHUROTFFTFO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.118,202-329-7,94-38-2,3-(diethylamino)propiophenone,3-(diethylamino)-1-phenylpropan-1-one,O=C(CCN(CC)CC)c1ccccc1,O=C(CCN(CC)CC)c1ccccc1,"InChI=1/C13H19NO/c1-3-14(4-2)11-10-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3",C13H19NO,,,,,,YZTCGYARZGKANI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.122,202-333-9,94-45-1,6-ethoxybenzothiazol-2-ylamine,"6-ethoxy-1,3-benzothiazol-2-amine",CCOc1ccc2nc(N)sc2c1,CCOc1ccc2nc(N)sc2c1,"InChI=1/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)",C9H10N2OS,,,,,,KOYJWFGMEBETBU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.129,203-440-3,106-90-1,"2,3-epoxypropyl acrylate",oxiran-2-ylmethyl acrylate,C=CC(=O)OCC1CO1,C=CC(=O)OCC1CO1,"InChI=1/C6H8O3/c1-2-6(7)9-4-5-3-8-5/h2,5H,1,3-4H2",C6H8O3,,,,,,RPQRDASANLAFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.130,203-441-9,106-91-2,"2,3-epoxypropyl methacrylate",oxiran-2-ylmethyl methacrylate,CC(=C)C(=O)OCC1CO1,CC(=C)C(=O)OCC1CO1,"InChI=1/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3",C7H10O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15212,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.130,VOZRXNHHFUQHIL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.131,203-442-4,106-92-3,"Allyl 2,3-epoxypropyl ether",2-[(allyloxy)methyl]oxirane,C=CCOCC1CO1,C=CCOCC1CO1,"InChI=1/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2",C6H10O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14565,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.131,LSWYGACWGAICNM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.373,201-510-8,84-01-5,Chlorproethazine,"3-(2-chloro-10H-phenothiazin-10-yl)-N,N-diethylpropan-1-amine",CCN(CC)CCCN1c2ccccc2Sc3ccc(Cl)cc13,CCN(CC)CCCN1c2ccccc2Sc3ccc(Cl)cc13,"InChI=1/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3",C19H23ClN2S,,,,,,DBOUGBAQLIXZLV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.374,201-511-3,84-02-6,Prochlorperazine maleate,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine dibut-2-enedioate,OC(=O)C=CC(O)=O.OC(=O)C=CC(O)=O.CN1CCN(CC1)CCCN2c4ccccc4Sc3ccc(Cl)cc23,OC(=O)C=CC(O)=O.OC(=O)C=CC(O)=O.CN1CCN(CC1)CCCN2c4ccccc4Sc3ccc(Cl)cc23,"InChI=1/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)",C20H24ClN3S.2C4H4O4,,,,,,DSKIOWHQLUWFLG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.382,201-520-2,84-19-5,Dienestrol di(acetate),"hexa-2,4-diene-3,4-diyldi-4,1-phenylene diacetate",O=C(C)Oc1ccc(cc1)C(=CC)C(=CC)c2ccc(OC(C)=O)cc2,O=C(C)Oc1ccc(cc1)C(=CC)C(=CC)c2ccc(OC(C)=O)cc2,"InChI=1/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3",C22H22O4,,,,,,YWLLGDVBTLPARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.383,201-521-8,84-21-9,Adenosine 3'-phosphate monohydrate,-,O.[O-]P([O-])(=O)O[C@@H]3[C@@H](CO)O[C@@H](n2cnc1c(N)ncnc12)[C@@H]3O,O.[O-]P([O-])(=O)O[C@@H]3[C@@H](CO)O[C@@H](n2cnc1c(N)ncnc12)[C@@H]3O,"InChI=1/C10H14N5O7P.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);1H2/p-2",C10H14N5O7P,,,,,,HAWIDQLWSQBRQS-MCDZGGTQSA-L,,,,,,,,,,,
100.001.384,201-522-3,84-22-0,Tetryzoline,"2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole",C1CC(C2=NCCN2)c3ccccc3C1,C1CC(C2=NCCN2)c3ccccc3C1,"InChI=1/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)",C13H16N2,,,,,,BYJAVTDNIXVSPW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.385,201-523-9,84-23-1,"Naphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid","naphtho[1,2-d][1,2,3]oxadiazole-5-sulfonic acid",OS(=O)(=O)c1cc2onnc2c3ccccc13,OS(=O)(=O)c1cc2onnc2c3ccccc13,"InChI=1/C10H6N2O4S/c13-17(14,15)9-5-8-10(11-12-16-8)7-4-2-1-3-6(7)9/h1-5H,(H,13,14,15)",C10H6N2O4S,,,,,,WHHIIGNOLGKQPD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.390,201-529-1,84-43-5,2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid,2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid,OC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O,OC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O,"InChI=1/C17H11NO3/c19-15-8-12-9(7-13(15)17(20)21)5-6-11-10-3-1-2-4-14(10)18-16(11)12/h1-8,18-19H,(H,20,21)",C17H11NO3,,,,,,ONMDNQFBIVCMAS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.401,201-541-7,84-57-1,"2,5-dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid","2,5-dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=O)C1)c2cc(Cl)c(cc2Cl)S(=O)(=O)O,CC1=NN(C(=O)C1)c2cc(Cl)c(cc2Cl)S(=O)(=O)O,"InChI=1/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)",C10H8Cl2N2O4S,,,,,,KCEIVWKDBLAQKL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.404,201-544-3,84-60-6,"2,6-dihydroxyanthraquinone","2,6-dihydroxy-9,10-anthraquinone",Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1,Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1,"InChI=1/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H",C14H8O4,,,,,,APAJFZPFBHMFQR-UHFFFAOYSA-N,Negative,,,,,,SM817153,[M-H]-,HCD35,239.035:211.0401:195.0451,CASMI_2016
100.001.405,201-545-9,84-61-7,Dicyclohexyl phthalate,dicyclohexyl phthalate,O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3,O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3,"InChI=1/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2",C20H26O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13726,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.405,VOWAEIGWURALJQ-UHFFFAOYSA-N,Positive,SM827002,[M+H]+,HCD35,149.0233:167.0338:249.1121,CASMI_2016,,,,,
100.001.407,201-548-5,84-64-0,Butyl cyclohexyl phthalate,butyl cyclohexyl phthalate,CCCCOC(=O)c1ccccc1C(=O)OC2CCCCC2,CCCCOC(=O)c1ccccc1C(=O)OC2CCCCC2,"InChI=1/C18H24O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3",C18H24O4,,,,,,BHKLONWXRPJNAE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.418,201-560-0,84-76-4,Dinonyl phthalate,dinonyl phthalate,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,"InChI=1/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3",C26H42O4,,,,,,DROMNWUQASBTFM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.433,201-576-8,84-95-7,"N,N-diethyl-1-naphthylamine","N,N-diethylnaphthalen-1-amine",CCN(CC)c1cccc2ccccc12,CCN(CC)c1cccc2ccccc12,"InChI=1/C14H17N/c1-3-15(4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3",C14H17N,,,,,,XLEMRIJDZGESRG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.435,201-578-9,84-97-9,10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine,10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,CN1CCN(CCCN2c3ccccc3Sc4ccccc24)CC1,CN1CCN(CCCN2c3ccccc3Sc4ccccc24)CC1,"InChI=1/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3",C20H25N3S,,,,,,WEYVCQFUGFRXOM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.441,201-585-7,85-07-4,2-methylnaphthalene-1-acetamide,2-(2-methyl-1-naphthyl)acetamide,Cc1ccc2ccccc2c1CC(=O)N,Cc1ccc2ccccc2c1CC(=O)N,"InChI=1/C13H13NO/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)",C13H13NO,,,,,,AFOVBPMGZPJPKX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.417,202-658-6,98-33-9,3-methylsulphanilic acid,4-amino-3-methylbenzenesulfonic acid,Cc1cc(ccc1N)S(=O)(=O)O,Cc1cc(ccc1N)S(=O)(=O)O,"InChI=1/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17643,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.417,WQTCZINVPXJNEL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.423,202-664-9,98-40-8,2-(ethylamino)toluene-4-sulphonic acid,3-(ethylamino)-4-methylbenzenesulfonic acid,CCNc1cc(ccc1C)S(=O)(=O)O,CCNc1cc(ccc1C)S(=O)(=O)O,"InChI=1/C9H13NO3S/c1-3-10-9-6-8(14(11,12)13)5-4-7(9)2/h4-6,10H,3H2,1-2H3,(H,11,12,13)",C9H13NO3S,,,,,,AHAFWLDHQAFWFO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.424,202-665-4,98-41-9,6-hydrazino-m-toluenesulphonic acid,4-hydrazino-3-methylbenzenesulfonic acid,Cc1cc(ccc1NN)S(=O)(=O)O,Cc1cc(ccc1NN)S(=O)(=O)O,"InChI=1/C7H10N2O3S/c1-5-4-6(13(10,11)12)2-3-7(5)9-8/h2-4,9H,8H2,1H3,(H,10,11,12)",C7H10N2O3S,,,,,,FLXYPZWCPSJVEX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.427,202-669-6,98-44-2,"2-aminobenzene-1,4-disulphonic acid","2-aminobenzene-1,4-disulfonic acid",Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O,Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)",C6H7NO6S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5693,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.427,LDCCBULMAFILCT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.430,202-672-2,98-48-6,"Benzene-1,3-disulphonic acid","benzene-1,3-disulfonic acid",OS(=O)(=O)c1cccc(c1)S(=O)(=O)O,OS(=O)(=O)c1cccc(c1)S(=O)(=O)O,"InChI=1/C6H6O6S2/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)",C6H6O6S2,,,,,,WRUAHXANJKHFIL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.431,202-673-8,98-49-7,1-(4-isopropylphenyl)-1-methylethyl hydroperoxide,1-(4-isopropylphenyl)-1-methylethyl hydroperoxide,CC(C)c1ccc(cc1)C(C)(C)OO,CC(C)c1ccc(cc1)C(C)(C)OO,"InChI=1/C12H18O2/c1-9(2)10-5-7-11(8-6-10)12(3,4)14-13/h5-9,13H,1-4H3",C12H18O2,,,,,,HWCBEGMIBCYKST-UHFFFAOYSA-N,,,,,,,,,,,
100.002.433,202-675-9,98-51-1,4-tert-butyltoluene,1-tert-butyl-4-methylbenzene,Cc1ccc(cc1)C(C)(C)C,Cc1ccc(cc1)C(C)(C)C,"InChI=1/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3",C11H16,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1614,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.433,QCWXDVFBZVHKLV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.438,202-681-1,98-56-6,"4-chloro-a,a,a-trifluorotoluene",1-chloro-4-(trifluoromethyl)benzene,FC(F)(F)c1ccc(Cl)cc1,FC(F)(F)c1ccc(Cl)cc1,"InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",C7H4ClF3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5322,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.438,QULYNCCPRWKEMF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.453,202-697-9,98-74-8,4-nitrobenzenesulphonyl chloride,4-nitrobenzenesulfonyl chloride,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H",C6H4ClNO4S,,,,,,JXRGUPLJCCDGKG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.455,202-700-3,98-79-3,Pidolic acid,5-oxo-L-proline,OC(=O)[C@@H]1CCC(=O)N1,OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)",C5H7NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18035,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.455,ODHCTXKNWHHXJC-VKHMYHEASA-N,,,,,,,,,,,
100.002.457,202-702-4,98-81-7,a-bromostyrene,(1-bromovinyl)benzene,BrC(=C)c1ccccc1,BrC(=C)c1ccccc1,"InChI=1/C8H7Br/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2",C8H7Br,,,,,,SRXJYTZCORKVNA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.300,203-629-0,108-91-8,Cyclohexylamine,cyclohexanamine,NC1CCCCC1,NC1CCCCC1,"InChI=1/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2",C6H13N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13348,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.300,PAFZNILMFXTMIY-UHFFFAOYSA-N,Positive,SM826601,[M+H]+,HCD35,83.0855:100.1121:55.0544,CASMI_2016,,,,,
100.003.303,203-632-7,108-95-2,Phenol,phenol,Oc1ccccc1,Oc1ccccc1,"InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",C6H6O,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15508,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.303,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.305,203-634-8,108-97-4,4H-pyran-4-one,4H-pyran-4-one,O=C1C=COC=C1,O=C1C=COC=C1,InChI=1/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H,C5H4O2,,,,,,CVQUWLDCFXOXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.309,203-639-5,109-01-3,1-methylpiperazine,1-methylpiperazine,CN1CCNCC1,CN1CCNCC1,"InChI=1/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3",C5H12N2,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13739,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.309,PVOAHINGSUIXLS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.315,203-645-8,109-08-0,2-methylpyrazine,2-methylpyrazine,Cc1cnccn1,Cc1cnccn1,"InChI=1/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3",C5H6N2,,,,,,CAWHJQAVHZEVTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.319,203-650-5,109-13-7,tert-butyl peroxyisobutyrate,tert-butyl 2-methylpropaneperoxoate,CC(C)C(=O)OOC(C)(C)C,CC(C)C(=O)OOC(C)(C)C,"InChI=1/C8H16O3/c1-6(2)7(9)10-11-8(3,4)5/h6H,1-5H3",C8H16O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11987,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.319,PFBLRDXPNUJYJM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.321,203-652-6,109-16-0,"2,2'-ethylenedioxydiethyl dimethacrylate","ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(2-methylacrylate)",CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C,CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C,"InChI=1/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3",C14H22O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13821,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.321,HWSSEYVMGDIFMH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.328,203-659-4,109-27-3,4-amidino-N'-nitroso-1-tetrazene-1-carboximidohydrazide,1-{4-[amino(3-oxotriazanyl)methyl]tetraazanyl}methanediamine,NC(N)NNNNC(N)NNN=O,NC(N)NNNNC(N)NNN=O,"InChI=1/C2H14N10O/c3-1(4)6-9-10-7-2(5)8-11-12-13/h1-2,6-7,9-10H,3-5H2,(H,8,12)(H,11,13)",C2H8N10O,,,,,,FXOMSKFUSFNUKG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.331,203-663-6,109-30-8,"Oxydiethane-1,2-diyl distearate","oxydiethane-2,1-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)44-37-35-43-36-38-45-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",C40H78O5,,,,,,YKDMBTQVKVEMSA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.332,203-664-1,109-31-9,Dihexyl azelate,dihexyl azelaate,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,"InChI=1/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3",C21H40O4,,,,,,MJOKHGMXPJXFTG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.335,203-667-8,109-37-5,2-butoxyethyl laurate,2-butoxyethyl laurate,CCCCCCCCCCCC(=O)OCCOCCCC,CCCCCCCCCCCC(=O)OCCOCCCC,"InChI=1/C18H36O3/c1-3-5-7-8-9-10-11-12-13-14-18(19)21-17-16-20-15-6-4-2/h3-17H2,1-2H3",C18H36O3,,,,,,QJENVPXXRBETHA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.341,203-674-6,109-46-6,"1,3-dibutyl-2-thiourea","1,3-dibutylthiourea",CCCCNC(=S)NCCCC,CCCCNC(=S)NCCCC,"InChI=1/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)",C9H20N2S,,,,,,KFFQABQEJATQAT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.344,203-677-2,109-52-4,Valeric acid,valeric acid,CCCCC(=O)O,CCCCC(=O)O,"InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",C5H10O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14438,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.344,NQPDZGIKBAWPEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.961,202-156-7,92-44-4,"Naphthalene-2,3-diol","naphthalene-2,3-diol",Oc1cc2ccccc2cc1O,Oc1cc2ccccc2cc1O,"InChI=1/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H",C10H8O2,,,,,,JRNGUTKWMSBIBF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.969,202-165-6,92-54-6,N-phenylpiperazine,1-phenylpiperazine,C1CN(CCN1)c2ccccc2,C1CN(CCN1)c2ccccc2,"InChI=1/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",C10H14N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6299,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.969,YZTJYBJCZXZGCT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.973,202-169-8,92-59-1,N-benzyl-N-ethylaniline,N-benzyl-N-ethylaniline,CCN(Cc1ccccc1)c2ccccc2,CCN(Cc1ccccc1)c2ccccc2,"InChI=1/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3",C15H17N,,,,,,HSZCJVZRHXPCIA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.975,202-171-9,92-61-5,7-hydroxy-6-methoxycoumarin,7-hydroxy-6-methoxy-2H-chromen-2-one,COc1cc2C=CC(=O)Oc2cc1O,COc1cc2C=CC(=O)Oc2cc1O,"InChI=1/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",C10H8O4,,,,,,RODXRVNMMDRFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.979,202-176-6,92-66-0,4-bromobiphenyl,4-bromobiphenyl,Brc1ccc(cc1)c2ccccc2,Brc1ccc(cc1)c2ccccc2,InChI=1/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,C12H9Br,,,,,,PKJBWOWQJHHAHG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.983,202-180-8,92-70-6,3-hydroxy-2-naphthoic acid,3-hydroxy-2-naphthoic acid,OC(=O)c1cc2ccccc2cc1O,OC(=O)c1cc2ccccc2cc1O,"InChI=1/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)",C11H8O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14175,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.983,ALKYHXVLJMQRLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.985,202-182-9,92-72-8,"5'-chloro-3-hydroxy-2',4'-dimethoxy-2-naphthanilide","N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide",COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl,COc1cc(OC)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl,"InChI=1/C19H16ClNO4/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)",C19H16ClNO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10844,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.985,XDWATWCCUTYUDE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.989,202-187-6,92-76-2,4'-chloro-3-hydroxy-2'-methyl-2-naphthanilide,N-(4-chloro-2-methylphenyl)-3-hydroxy-2-naphthamide,Cc1cc(Cl)ccc1NC(=O)c2cc3ccccc3cc2O,Cc1cc(Cl)ccc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C18H14ClNO2/c1-11-8-14(19)6-7-16(11)20-18(22)15-9-12-4-2-3-5-13(12)10-17(15)21/h2-10,21H,1H3,(H,20,22)",C18H14ClNO2,,,,,,PSRNXESQSJEQMN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.996,202-194-4,92-83-1,Xanthene,9H-xanthene,C1c2ccccc2Oc3ccccc13,C1c2ccccc2Oc3ccccc13,"InChI=1/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2",C13H10O,,,,,,GJCOSYZMQJWQCA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.004,202-203-1,92-92-2,Biphenyl-4-carboxylic acid,biphenyl-4-carboxylic acid,OC(=O)c1ccc(cc1)c2ccccc2,OC(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)",C13H10O2,,,,,,NNJMFJSKMRYHSR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.006,202-205-2,92-94-4,p-terphenyl,"1,1':4',1''-terphenyl",c1ccc(cc1)c2ccc(cc2)c3ccccc3,c1ccc(cc1)c2ccc(cc2)c3ccccc3,InChI=1/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H,C18H14,,,,,,XJKSTNDFUHDPQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.011,202-211-5,93-02-7,"2,5-dimethoxybenzaldehyde","2,5-dimethoxybenzaldehyde",COc1ccc(OC)c(C=O)c1,COc1ccc(OC)c(C=O)c1,"InChI=1/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3",C9H10O3,,,,,,AFUKNJHPZAVHGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.012,202-212-0,93-03-8,"3,4-dimethoxybenzyl alcohol","(3,4-dimethoxyphenyl)methanol",COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC,"InChI=1/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3",C9H12O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18530,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.012,OEGPRYNGFWGMMV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.018,202-218-3,93-10-7,Quinoline-2-carboxylic acid,quinoline-2-carboxylic acid,OC(=O)c1ccc2ccccc2n1,OC(=O)c1ccc2ccccc2n1,"InChI=1/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)",C10H7NO2,,,,,,LOAUVZALPPNFOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.714,204-085-7,115-38-8,Methylphenobarbital,"5-ethyl-1-methyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(C(=O)NC(=O)N(C)C1=O)c2ccccc2,CCC1(C(=O)NC(=O)N(C)C1=O)c2ccccc2,"InChI=1/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)",C13H14N2O3,,,,,,ALARQZQTBTVLJV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.725,204-097-2,115-63-9,Hexocyclium metilsulfate,"4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium methyl sulfate",COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(C2CCCCC2)c3ccccc3)CC1,COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(C2CCCCC2)c3ccccc3)CC1,"InChI=1/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C20H33N2O.CH3O4S,,,,,,NSILVESQCSUIAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.003.729,204-101-2,115-70-8,2-amino-2-ethylpropanediol,"2-amino-2-ethylpropane-1,3-diol",CCC(N)(CO)CO,CCC(N)(CO)CO,"InChI=1/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3",C5H13NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12802,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.729,IOAOAKDONABGPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.732,204-104-9,115-77-5,Pentaerythritol,pentaerythritol,OCC(CO)(CO)CO,OCC(CO)(CO)CO,"InChI=1/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2",C5H12O4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15344,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.732,WXZMFSXDPGVJKK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.734,204-107-5,115-79-7,Ambenonium chloride,"2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[N-(2-chlorobenzyl)-N,N-diethylethanaminium] dichloride",[Cl-].[Cl-].CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl,[Cl-].[Cl-].CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl,"InChI=1/C28H40Cl2N4O2.2ClH/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;/h9-16H,5-8,17-22H2,1-4H3;2*1H",C28H42Cl2N4O2.2Cl,,,,,,DXUUXWKFVDVHIK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.746,204-120-6,115-99-1,Linalyl formate,"1,5-dimethyl-1-vinylhex-4-en-1-yl formate",CC(=CCCC(C)(OC=O)C=C)C,CC(=CCCC(C)(OC=O)C=C)C,"InChI=1/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3",C11H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17925,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.746,JZOCDHMHLGUPFI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.751,204-125-3,116-11-0,Isopropenyl methyl ether,2-methoxyprop-1-ene,COC(=C)C,COC(=C)C,"InChI=1/C4H8O/c1-4(2)5-3/h1H2,2-3H3",C4H8O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10997,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.751,YOWQWFMSQCOSBA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.752,204-126-9,116-14-3,Tetrafluoroethylene,tetrafluoroethene,FC(=C(F)F)F,FC(=C(F)F)F,InChI=1/C2F4/c3-1(4)2(5)6,C2F4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15453,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.752,BFKJFAAPBSQJPD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.756,204-131-6,116-22-3,"1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, oxydi-2,1-ethanediyl ester, [1R-[1a(1'R*,4'aS*,4'bS*,7'S*,10'aR*),4aß,4ba,7a,10aa]]-","oxydiethane-2,1-diyl bisabiet-8(14)-en-18-oate",CC(C)C1CCC2C(=C1)CCC3C2(C)CCCC3(C)C(=O)OCCOCCOC(=O)C4(C)CCCC5(C)C6CCC(C=C6CCC45)C(C)C,CC(C)C1CCC2C(=C1)CCC3C2(C)CCCC3(C)C(=O)OCCOCCOC(=O)C4(C)CCCC5(C)C6CCC(C=C6CCC45)C(C)C,"InChI=1/C44H70O5/c1-29(2)31-11-15-35-33(27-31)13-17-37-41(35,5)19-9-21-43(37,7)39(45)48-25-23-47-24-26-49-40(46)44(8)22-10-20-42(6)36-16-12-32(30(3)4)28-34(36)14-18-38(42)44/h27-32,35-38H,9-26H2,1-8H3",C44H70O5,,,,,,QSWONYVPBOBZDL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.759,204-134-2,116-29-0,Tetradifon,"1,2,4-trichloro-5-[(4-chlorophenyl)sulfonyl]benzene",Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl,Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl,"InChI=1/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H",C12H6Cl4O2S,,,,,,MLGCXEBRWGEOQX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.761,204-136-3,116-34-7,2-amino-N-ethyl-5-nitro-N-phenylbenzenesulphonamide,2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide,CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2N)[N+](=O)[O-],CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2N)[N+](=O)[O-],"InChI=1/C14H15N3O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2,15H2,1H3",C14H15N3O4S,,,,,,AGSWRZMLPKYDNM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.768,204-144-7,116-52-9,Dicloralurea,"1,3-bis(2,2,2-trichloro-1-hydroxyethyl)urea",OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)",C5H6Cl6N2O3,,,,,,PPJXIHLNYDVTDI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.770,204-146-8,116-54-1,Methyl dichloroacetate,methyl dichloroacetate,COC(=O)C(Cl)Cl,COC(=O)C(Cl)Cl,"InChI=1/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3",C3H4Cl2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17723,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.770,HKMLRUAPIDAGIE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.771,204-147-3,116-63-2,4-amino-3-hydroxynaphthalene-1-sulphonic acid,4-amino-3-hydroxynaphthalene-1-sulfonic acid,Nc1c(O)cc(c2ccccc12)S(=O)(=O)O,Nc1c(O)cc(c2ccccc12)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,RXCMFQDTWCCLBL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.772,204-148-9,116-64-3,4-hydroxynaphthalene-2-sulphonamide,4-hydroxynaphthalene-2-sulfonamide,NS(=O)(=O)c1cc(O)c2ccccc2c1,NS(=O)(=O)c1cc(O)c2ccccc2c1,"InChI=1/C10H9NO3S/c11-15(13,14)8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,12H,(H2,11,13,14)",C10H9NO3S,,,,,,UVUPYJHRUARFIM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.132,203-444-5,106-93-4,"1,2-dibromoethane","1,2-dibromoethane",BrCCBr,BrCCBr,InChI=1/C2H4Br2/c3-1-2-4/h1-2H2,C2H4Br2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13105,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.132,PAAZPARNPHGIKF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.137,203-449-2,106-98-9,But-1-ene,but-1-ene,CCC=C,CCC=C,"InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3",C4H8,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15510,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.137,VXNZUUAINFGPBY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.141,203-453-4,107-02-8,Acrylaldehyde,acrylaldehyde,C=CC=O,C=CC=O,"InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2",C3H4O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13444,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.141,HGINCPLSRVDWNT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.143,203-456-0,107-04-0,1-bromo-2-chloroethane,1-bromo-2-chloroethane,ClCCBr,ClCCBr,InChI=1/C2H4BrCl/c3-1-2-4/h1-2H2,C2H4BrCl,,,,,,IBYHHJPAARCAIE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.144,203-457-6,107-05-1,3-chloropropene,3-chloroprop-1-ene,ClCC=C,ClCC=C,"InChI=1/C3H5Cl/c1-2-3-4/h2H,1,3H2",C3H5Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14318,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.144,OSDWBNJEKMUWAV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.146,203-459-7,107-07-3,2-chloroethanol,2-chloroethanol,OCCCl,OCCCl,"InChI=1/C2H5ClO/c3-1-2-4/h4H,1-2H2",C2H5ClO,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8014,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.146,SZIFAVKTNFCBPC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.148,203-461-8,107-09-5,2-bromoethylamine,2-bromoethanamine,NCCBr,NCCBr,"InChI=1/C2H6BrN/c3-1-2-4/h1-2,4H2",C2H6BrN,,,,,,IZQAUUVBKYXMET-UHFFFAOYSA-N,,,,,,,,,,,
100.003.151,203-464-4,107-12-0,Propiononitrile,propiononitrile,CCC#N,CCC#N,"InChI=1/C3H5N/c1-2-3-4/h2H2,1H3",C3H5N,,,,,,FVSKHRXBFJPNKK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.155,203-469-1,107-16-4,Glycollonitrile,glycolonitrile,OCC#N,OCC#N,"InChI=1/C2H3NO/c3-1-2-4/h4H,2H2",C2H3NO,,,,,,LTYRAPJYLUPLCI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.157,203-471-2,107-19-7,Prop-2-yn-1-ol,prop-2-yn-1-ol,OCC#C,OCC#C,"InChI=1/C3H4O/c1-2-3-4/h1,4H,3H2",C3H4O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15851,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.157,TVDSBUOJIPERQY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.158,203-472-8,107-20-0,Chloroacetaldehyde,chloroacetaldehyde,ClCC=O,ClCC=O,"InChI=1/C2H3ClO/c3-1-2-4/h2H,1H2",C2H3ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8143,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.158,QSKPIOLLBIHNAC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.159,203-473-3,107-21-1,"Ethane-1,2-diol",ethylene glycol,OCCO,OCCO,"InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2",C2H6O2,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15973,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.159,LYCAIKOWRPUZTN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.160,203-474-9,107-22-2,Glyoxal,oxalaldehyde,O=CC=O,O=CC=O,InChI=1/C2H2O2/c3-1-2-4/h1-2H,C2H2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16112,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.160,LEQAOMBKQFMDFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.167,203-482-2,107-34-6,Propylarsonic acid,propylarsonic acid,CCC[As](=O)(O)O,CCC[As](=O)(O)O,"InChI=1/C3H9AsO3/c1-2-3-4(5,6)7/h2-3H2,1H3,(H2,5,6,7)",C3H9AsO3,,,,,,RVQXTZBOXCETGD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.170,203-485-9,107-37-9,Allyltrichlorosilane,allyl(trichloro)silane,Cl[Si](Cl)(Cl)CC=C,Cl[Si](Cl)(Cl)CC=C,"InChI=1/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2",C3H5Cl3Si,,,,,,HKFSBKQQYCMCKO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.176,203-492-7,107-46-0,Hexamethyldisiloxane,hexamethyldisiloxane,C[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)C,"InChI=1/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",C6H18OSi2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15156,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.176,UQEAIHBTYFGYIE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.178,203-494-8,107-48-2,"1,2-epoxy-2,4,4-trimethylpentane","2-(2,2-dimethylpropyl)-2-methyloxirane",CC(C)(C)CC1(C)CO1,CC(C)(C)CC1(C)CO1,"InChI=1/C8H16O/c1-7(2,3)5-8(4)6-9-8/h5-6H2,1-4H3",C8H16O,,,,,,WZHRVCOCPMCGEA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.179,203-495-3,107-49-3,TEPP,tetraethyl diphosphate,CCOP(=O)(OCC)OP(=O)(OCC)OCC,CCOP(=O)(OCC)OP(=O)(OCC)OCC,"InChI=1/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3",C8H20O7P2,,,,,,IDCBOTIENDVCBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.186,203-504-0,107-57-3,3-chloro-2-hydroxypropanesulphonic acid,3-chloro-2-hydroxypropane-1-sulfonic acid,OC(CCl)CS(=O)(=O)O,OC(CCl)CS(=O)(=O)O,"InChI=1/C3H7ClO4S/c4-1-3(5)2-9(6,7)8/h3,5H,1-2H2,(H,6,7,8)",C3H7ClO4S,,,,,,DDLBHIIDBLGOTE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.197,203-516-6,107-73-3,Trimethyl[2-(phosphonooxy)ethyl]ammonium chloride,"N,N,N-trimethyl-2-(phosphonooxy)ethanaminium chloride",[Cl-].C[N+](C)(C)CCOP(=O)(O)O,[Cl-].C[N+](C)(C)CCOP(=O)(O)O,"InChI=1/C5H14NO4P.ClH/c1-6(2,3)4-5-10-11(7,8)9;/h4-5H2,1-3H3,(H-,7,8,9);1H",C5H15NO4P.Cl,,,,,,PYJNAPOPMIJKJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.199,203-518-7,107-75-5,7-hydroxycitronellal,"7-hydroxy-3,7-dimethyloctanal",CC(CCCC(C)(C)O)CC=O,CC(CCCC(C)(C)O)CC=O,"InChI=1/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3",C10H20O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12695,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.199,WPFVBOQKRVRMJB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.200,203-519-2,107-79-9,"2,2'-[oxybis(ethane-2,1-diyloxy)]bis[2-methylpropane]","2,2'-[oxybis(ethane-2,1-diyloxy)]bis(2-methylpropane)",CC(C)(C)OCCOCCOC(C)(C)C,CC(C)(C)OCCOCCOC(C)(C)C,"InChI=1/C12H26O3/c1-11(2,3)14-9-7-13-8-10-15-12(4,5)6/h7-10H2,1-6H3",C12H26O3,,,,,,RJMRCNBBTPROCR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.445,201-589-9,85-15-4,"2-methylnaphtho[1,2-d]oxazole","2-methylnaphtho[1,2-d][1,3]oxazole",Cc1oc2ccc3ccccc3c2n1,Cc1oc2ccc3ccccc3c2n1,"InChI=1/C12H9NO/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3",C12H9NO,,,,,,JCTNVNANPZAULC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.446,201-590-4,85-18-7,8-chlorotheophylline,"8-chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2[nH]c(Cl)nc2C1=O,CN1C(=O)N(C)c2[nH]c(Cl)nc2C1=O,"InChI=1/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)",C7H7ClN4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10523,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.446,RYIGNEOBDRVTHA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.449,201-594-6,85-24-5,"2,2'-dihydroxy-4-octyloxybenzophenone",[2-hydroxy-4-(octyloxy)phenyl](2-hydroxyphenyl)methanone,CCCCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1,CCCCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1,"InChI=1/C21H26O4/c1-2-3-4-5-6-9-14-25-16-12-13-18(20(23)15-16)21(24)17-10-7-8-11-19(17)22/h7-8,10-13,15,22-23H,2-6,9,14H2,1H3",C21H26O4,,,,,,XRCGPZWJUXJKJF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.454,201-599-3,85-34-7,Chlorfenac,"(2,3,6-trichlorophenyl)acetic acid",OC(=O)Cc1c(Cl)ccc(Cl)c1Cl,OC(=O)Cc1c(Cl)ccc(Cl)c1Cl,"InChI=1/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)",C8H5Cl3O2,,,,,,QZXCCPZJCKEPSA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.459,201-604-9,85-42-7,"Cyclohexane-1,2-dicarboxylic anhydride","hexahydro-2-benzofuran-1,3-dione",O=C1OC(=O)C2CCCCC12,O=C1OC(=O)C2CCCCC12,"InChI=1/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2",C8H10O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14406,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.459,MUTGBJKUEZFXGO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.460,201-605-4,85-43-8,"1,2,3,6-tetrahydrophthalic anhydride","3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",O=C1OC(=O)C2CC=CCC12,O=C1OC(=O)C2CC=CCC12,"InChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2",C8H8O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14373,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.460,KMOUUZVZFBCRAM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.461,201-607-5,85-44-9,Phthalic anhydride,"2-benzofuran-1,3-dione",O=C1OC(=O)c2ccccc12,O=C1OC(=O)c2ccccc12,InChI=1/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,C8H4O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15845,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.461,LGRFSURHDFAFJT-UHFFFAOYSA-N,,,,,,,,,,,
100.001.463,201-609-6,85-46-1,Naphthalene-1-sulphonyl chloride,naphthalene-1-sulfonyl chloride,ClS(=O)(=O)c1cccc2ccccc12,ClS(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H",C10H7ClO2S,,,,,,DASJFYAPNPUBGG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.467,201-613-8,85-54-1,2-(4-chloro-3-nitrobenzoyl)benzoic acid,2-(4-chloro-3-nitrobenzoyl)benzoic acid,OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)[N+](=O)[O-],OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)[N+](=O)[O-],"InChI=1/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)",C14H8ClNO5,,,,,,RITAQDHCJBLSSL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.468,201-614-3,85-55-2,2-p-toluoylbenzoic acid,2-(4-methylbenzoyl)benzoic acid,Cc1ccc(cc1)C(=O)c2ccccc2C(=O)O,Cc1ccc(cc1)C(=O)c2ccccc2C(=O)O,"InChI=1/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)",C15H12O3,,,,,,ICQOWIXIHDDXDI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.469,201-615-9,85-56-3,2-(4-chlorobenzoyl)benzoic acid,2-(4-chlorobenzoyl)benzoic acid,OC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2,OC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2,"InChI=1/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)",C14H9ClO3,,,,,,YWECCEXWKFHHQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.470,201-616-4,85-57-4,2-(4-hydroxybenzoyl)benzoic acid,2-(4-hydroxybenzoyl)benzoic acid,OC(=O)c1ccccc1C(=O)c2ccc(O)cc2,OC(=O)c1ccccc1C(=O)c2ccc(O)cc2,"InChI=1/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)",C14H10O4,,,,,,YGTUPRIZNBMOFV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.472,201-619-0,85-61-0,Coenzyme A,"[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl 3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)",CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS,"InChI=1/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)",C21H36N7O16P3S,,,,,,RGJOEKWQDUBAIZ-DRCCLKDXSA-N,,,,,,,,,,,
100.001.476,201-623-2,85-69-8,Butyl 2-ethylhexyl phthalate,butyl 2-ethylhexyl phthalate,CCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,CCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,"InChI=1/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3",C20H30O4,,,,,,AVOLBYOSCILFLL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.483,201-631-6,85-77-8,5-amino-8-[(p-aminophenyl)azo]naphthalene-2-sulphonic acid,5-amino-8-[(4-aminophenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c2cc3c(N=Nc1ccc(N)cc1)ccc(N)c3cc2,OS(=O)(=O)c2cc3c(N=Nc1ccc(N)cc1)ccc(N)c3cc2,"InChI=1/C16H14N4O3S/c17-10-1-3-11(4-2-10)19-20-16-8-7-15(18)13-6-5-12(9-14(13)16)24(21,22)23/h1-9H,17-18H2,(H,21,22,23)",C16H14N4O3S,,,,,,ICZLQBIBMJQZRI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.492,201-641-0,85-90-5,Methylchromone,3-methyl-4H-chromen-4-one,CC1=COc2ccccc2C1=O,CC1=COc2ccccc2C1=O,"InChI=1/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3",C10H8O2,,,,,,ABJKIHHNDMEBNA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.027,202-228-8,93-20-9,2-(2-naphthyloxy)ethanol,2-(2-naphthyloxy)ethanol,OCCOc1ccc2ccccc2c1,OCCOc1ccc2ccccc2c1,"InChI=1/C12H12O2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2",C12H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11874,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.027,BQPBZDSDFCDSAO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.030,202-231-4,93-25-4,2-methoxyphenylacetic acid,(2-methoxyphenyl)acetic acid,COc1ccccc1CC(=O)O,COc1ccccc1CC(=O)O,"InChI=1/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O3,,,,,,IVEWTCACRDEAOB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.035,202-237-7,93-30-1,Methoxyphenamine,1-(2-methoxyphenyl)-N-methylpropan-2-amine,CNC(C)Cc1ccccc1OC,CNC(C)Cc1ccccc1OC,"InChI=1/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3",C11H17NO,,,,,,OEHAYUOVELTAPG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.047,202-250-8,93-48-1,"2,5-dimethylbenzylamine","1-(2,5-dimethylphenyl)methanamine",Cc1ccc(C)c(CN)c1,Cc1ccc(C)c(CN)c1,"InChI=1/C9H13N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6,10H2,1-2H3",C9H13N,,,,,,LUJNPFWZXIGIPS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.050,202-253-4,93-52-7,"1,2-dibromo(phenyl)ethane","(1,2-dibromoethyl)benzene",BrCC(Br)c1ccccc1,BrCC(Br)c1ccccc1,"InChI=1/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2",C8H8Br2,,,,,,SHKKTLSDGJRCTR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.054,202-258-1,93-56-1,"Phenylethane-1,2-diol","1-phenylethane-1,2-diol",OCC(O)c1ccccc1,OCC(O)c1ccccc1,"InChI=1/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2",C8H10O2,,,,,,PWMWNFMRSKOCEY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.058,202-262-3,93-61-8,N-methylformanilide,N-methyl-N-phenylformamide,CN(C=O)c1ccccc1,CN(C=O)c1ccccc1,"InChI=1/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3",C8H9NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18619,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.058,JIKUXBYRTXDNIY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.061,202-266-5,93-67-4,5-chloro-2-phenoxyaniline,5-chloro-2-phenoxyaniline,Nc1cc(Cl)ccc1Oc2ccccc2,Nc1cc(Cl)ccc1Oc2ccccc2,"InChI=1/C12H10ClNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2",C12H10ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10207,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.061,SXEBHIMOUHBBOS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.064,202-269-1,93-70-9,2'-chloroacetoacetanilide,N-[2-(chloroacetyl)phenyl]acetamide,CC(=O)Nc1ccccc1C(=O)CCl,CC(=O)Nc1ccccc1C(=O)CCl,"InChI=1/C10H10ClNO2/c1-7(13)12-9-5-3-2-4-8(9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)",C10H10ClNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13702,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.064,YFMSVNDUFQTTBG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.067,202-272-8,93-75-4,Thioquinox,"[1,3]dithiolo[4,5-b]quinoxaline-2-thione",S=C1Sc2nc3ccccc3nc2S1,S=C1Sc2nc3ccccc3nc2S1,InChI=1/C9H4N2S3/c12-9-13-7-8(14-9)11-6-4-2-1-3-5(6)10-7/h1-4H,C9H4N2S3,,,,,,ILERPRJWJPJZDN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.071,202-277-5,93-79-8,"Butyl 2,4,5-trichlorophenoxyacetate","butyl (2,4,5-trichlorophenoxy)acetate",CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3",C12H13Cl3O3,,,,,,FNEXNZUHBCBQTI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.073,202-279-6,93-81-2,(Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)-9-octadecenamide,N-(2-aminoethyl)-N-(2-hydroxyethyl)octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCN)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)N(CCN)CCO,"InChI=1/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24(19-18-23)20-21-25/h9-10,25H,2-8,11-21,23H2,1H3",C22H44N2O2,,,,,,ZCIHUYWGDQQFCS-KTKRTIGZSA-N,,,,,,,,,,,
100.002.074,202-280-1,93-82-3,"N,N-bis(2-hydroxyethyl)stearamide","N,N-bis(2-hydroxyethyl)octadecanamide",CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3",C22H45NO3,,,,,,XGZOMURMPLSSKQ-UHFFFAOYSA-N,Positive,LIT00005,,,106:354:372,Literature_Specs,,,,,
100.002.078,202-284-3,93-89-0,Ethyl benzoate,ethyl benzoate,CCOC(=O)c1ccccc1,CCOC(=O)c1ccccc1,"InChI=1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C9H10O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16489,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.078,MTZQAGJQAFMTAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.084,202-291-1,93-97-0,Benzoic anhydride,benzoic anhydride,O=C(OC(=O)c1ccccc1)c2ccccc2,O=C(OC(=O)c1ccccc1)c2ccccc2,InChI=1/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H,C14H10O3,,,,,,CHIHQLCVLOXUJW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.088,202-295-3,94-02-0,Ethyl benzoylacetate,ethyl 3-oxo-3-phenylpropanoate,CCOC(=O)CC(=O)c1ccccc1,CCOC(=O)CC(=O)c1ccccc1,"InChI=1/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C11H12O3,,,,,,GKKZMYDNDDMXSE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.092,202-300-9,94-07-5,4-(1-hydroxy-2-(methylamino)ethyl)phenol,4-[1-hydroxy-2-(methylamino)ethyl]phenol,CNCC(O)c1ccc(O)cc1,CNCC(O)c1ccc(O)cc1,"InChI=1/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3",C9H13NO2,,,,,,YRCWQPVGYLYSOX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.093,202-301-4,94-08-6,Ethyl p-toluate,ethyl 4-methylbenzoate,CCOC(=O)c1ccc(C)cc1,CCOC(=O)c1ccc(C)cc1,"InChI=1/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",C10H12O2,,,,,,NWPWRAWAUYIELB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.775,204-152-0,116-71-2,"Violanthrene-5,10-dione","anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",O=C1c2ccccc2c3ccc4c5ccc6c7ccccc7C(=O)c8ccc(c9ccc1c3c49)c5c68,O=C1c2ccccc2c3ccc4c5ccc6c7ccccc7C(=O)c8ccc(c9ccc1c3c49)c5c68,InChI=1/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H,C34H16O2,,,,,,YKSGNOMLAIJTLT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.778,204-155-7,116-75-6,"1,4-bis(mesitylamino)anthraquinone","1,4-bis(mesitylamino)-9,10-anthraquinone",Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c4C(=O)c5ccccc5C(=O)c24)c(C)c1,Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c4C(=O)c5ccccc5C(=O)c24)c(C)c1,"InChI=1/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3",C32H30N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5736,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.778,DMDRBXCDTZRMHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.781,204-158-3,116-78-9,"1,5-bis(2,4-dinitrophenoxy)-4,8-dinitroanthraquinone","1,5-bis(2,4-dinitrophenoxy)-4,8-dinitro-9,10-anthraquinone",[O-][N+](=O)c1ccc(Oc2ccc(c3C(=O)c4c(Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])ccc(c4C(=O)c23)[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Oc2ccc(c3C(=O)c4c(Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])ccc(c4C(=O)c23)[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],InChI=1/C26H10N6O16/c33-25-22-14(30(41)42)4-8-20(48-18-6-2-12(28(37)38)10-16(18)32(45)46)24(22)26(34)21-13(29(39)40)3-7-19(23(21)25)47-17-5-1-11(27(35)36)9-15(17)31(43)44/h1-10H,C26H10N6O16,,,,,,JPBCMHKLKIEZEF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.786,204-164-6,116-90-5,"[4,4'-bi-7H-benz[de]anthracene]-7,7'-dione","7H,7'H-4,4'-bibenzo[de]anthracene-7,7'-dione",O=C1c2ccccc2c3cccc4c(ccc1c34)c5ccc6C(=O)c7ccccc7c8cccc5c68,O=C1c2ccccc2c3cccc4c(ccc1c34)c5ccc6C(=O)c7ccccc7c8cccc5c68,InChI=1/C34H18O2/c35-33-27-9-3-1-7-19(27)23-11-5-13-25-21(15-17-29(33)31(23)25)22-16-18-30-32-24(12-6-14-26(22)32)20-8-2-4-10-28(20)34(30)36/h1-18H,C34H18O2,,,,,,FEQOTXWZPMPKGW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.791,204-169-3,117-06-6,"N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide","N-(5-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",Nc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,Nc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,"InChI=1/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)",C21H14N2O3,,,,,,FWEQPMZEKHHFTB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.792,204-170-9,117-07-7,1-amino-2-chloroanthraquinone,"1-amino-2-chloro-9,10-anthraquinone",Nc1c(Cl)ccc2C(=O)c3ccccc3C(=O)c12,Nc1c(Cl)ccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8ClNO2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2",C14H8ClNO2,,,,,,QQOBTPNGSQEDAS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.793,204-171-4,117-08-8,Tetrachlorophthalic anhydride,"4,5,6,7-tetrachloro-2-benzofuran-1,3-dione",Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,InChI=1/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,C8Cl4O3,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1567,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.793,AUHHYELHRWCWEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.797,204-176-1,117-13-5,"5-amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid","5-amino-8-bromo-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonic acid",Nc1c2C(=O)c3cccc(c3C(=O)c2c(Br)cc1S(=O)(=O)O)S(=O)(=O)O,Nc1c2C(=O)c3cccc(c3C(=O)c2c(Br)cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C14H8BrNO8S2/c15-6-4-8(26(22,23)24)12(16)11-10(6)14(18)9-5(13(11)17)2-1-3-7(9)25(19,20)21/h1-4H,16H2,(H,19,20,21)(H,22,23,24)",C14H8BrNO8S2,,,,,,OEBFYWPAABOJCP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.798,204-177-7,117-14-6,"9,10-dioxoanthracene-1,5-disulphonic acid","9,10-dioxo-9,10-dihydroanthracene-1,5-disulfonic acid",OS(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c12,OS(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c12,"InChI=1/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)",C14H8O8S2,,,,,,OZTBHAGJSKTDGM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.799,204-178-2,117-18-0,Tecnazene,"1,2,4,5-tetrachloro-3-nitrobenzene",[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,InChI=1/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H,C6HCl4NO2,,,,,,XQTLDIFVVHJORV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.801,204-180-3,117-22-6,8-hydroxynaphthalenesulphonic acid,8-hydroxynaphthalene-1-sulfonic acid,Oc1cccc2cccc(c12)S(=O)(=O)O,Oc1cccc2cccc(c12)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)",C10H8O4S,,,,,,ZPLBZGGKAUXTRT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.802,204-181-9,117-23-7,"2-(2-chloro-6-methylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(2-chloro-6-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2c(C)cccc2Cl,CC1=NN(C(=O)C1)c2c(C)cccc2Cl,"InChI=1/C11H11ClN2O/c1-7-4-3-5-9(12)11(7)14-10(15)6-8(2)13-14/h3-5H,6H2,1-2H3",C11H11ClN2O,,,,,,PEHCLPGYMNFIOV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.803,204-182-4,117-32-8,"7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonic acid","7-hydroxy-8-({4'-[(4-hydroxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)naphthalene-1,3-disulfonic acid",Oc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S(O)(=O)=O)S(O)(=O)=O)c(C)c5,Oc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S(O)(=O)=O)S(O)(=O)=O)c(C)c5,"InChI=1/C30H24N4O8S2/c1-17-13-19(3-10-25(17)32-31-22-6-8-23(35)9-7-22)20-4-11-26(18(2)14-20)33-34-30-27(36)12-5-21-15-24(43(37,38)39)16-28(29(21)30)44(40,41)42/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42)",C30H24N4O8S2,,,,,,PBPHWMOIKUMCRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.806,204-186-6,117-37-3,Anisindione,"2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione",COc1ccc(cc1)C2C(=O)c3ccccc3C2=O,COc1ccc(cc1)C2C(=O)c3ccccc3C2=O,"InChI=1/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3",C16H12O3,,,,,,XRCFXMGQEVUZFC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.207,203-527-6,107-86-8,3-methyl-2-butenal,3-methylbut-2-enal,CC(=CC=O)C,CC(=CC=O)C,"InChI=1/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3",C5H8O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10595,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.207,SEPQTYODOKLVSB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.218,203-539-1,107-98-2,1-methoxypropan-2-ol,1-methoxypropan-2-ol,COCC(C)O,COCC(C)O,"InChI=1/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3",C4H10O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14673,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.218,ARXJGSRGQADJSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.219,203-540-7,107-99-3,2-chloroethyldimethylamine,"2-chloro-N,N-dimethylethanamine",CN(C)CCCl,CN(C)CCCl,"InChI=1/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3",C4H10ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18565,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.219,WQMAANNAZKNUDL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.221,203-542-8,108-01-0,2-dimethylaminoethanol,2-(dimethylamino)ethanol,CN(C)CCO,CN(C)CCO,"InChI=1/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",C4H11NO,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14464,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.221,UEEJHVSXFDXPFK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.222,203-543-3,108-02-1,Captamine,2-(dimethylamino)ethanethiol,CN(C)CCS,CN(C)CCS,"InChI=1/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",C4H11NS,,,,,,DENMGZODXQRYAR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.228,203-550-1,108-10-1,4-methylpentan-2-one,4-methylpentan-2-one,CC(C)CC(=O)C,CC(C)CC(=O)C,"InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3",C6H12O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14866,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.228,NTIZESTWPVYFNL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.231,203-553-8,108-13-4,Malonamide,malonamide,NC(=O)CC(=O)N,NC(=O)CC(=O)N,"InChI=1/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)",C3H6N2O2,,,,,,WRIRWRKPLXCTFD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.236,203-559-0,108-19-0,Biuret,dicarbonimidic diamide,NC(=O)NC(=O)N,NC(=O)NC(=O)N,"InChI=1/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)",C2H5N3O2,,,,,,OHJMTUPIZMNBFR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.237,203-560-6,108-20-3,Diisopropyl ether,"2,2'-oxydipropane",CC(C)OC(C)C,CC(C)OC(C)C,"InChI=1/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3",C6H14O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15860,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.237,ZAFNJMIOTHYJRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.239,203-562-7,108-22-5,Isopropenyl acetate,isopropenyl acetate,CC(=C)OC(=O)C,CC(=C)OC(=O)C,"InChI=1/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3",C5H8O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17298,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.239,HETCEOQFVDFGSY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.240,203-563-2,108-23-6,Isopropyl chloroformate,isopropyl chlorocarbonate,CC(C)OC(=O)Cl,CC(C)OC(=O)Cl,"InChI=1/C4H7ClO2/c1-3(2)7-4(5)6/h3H,1-2H3",C4H7ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13188,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.240,IVRIRQXJSNCSPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.241,203-564-8,108-24-7,Acetic anhydride,acetic anhydride,CC(=O)OC(=O)C,CC(=O)OC(=O)C,InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H3,C4H6O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15314,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.241,WFDIJRYMOXRFFG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.242,203-565-3,108-26-9,"2,4-dihydro-5-methyl-3H-pyrazol-3-one","5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NNC(=O)C1,CC1=NNC(=O)C1,"InChI=1/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)",C4H6N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12582,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.242,NHLAPJMCARJFOG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.249,203-573-7,108-33-8,"5-methyl-1,3,4-thiadiazol-2-ylamine","5-methyl-1,3,4-thiadiazol-2-amine",Cc1nnc(N)s1,Cc1nnc(N)s1,"InChI=1/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)",C3H5N3S,,,,,,HMPUHXCGUHDVBI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.256,203-581-0,108-42-9,3-chloroaniline,3-chloroaniline,Nc1cccc(Cl)c1,Nc1cccc(Cl)c1,"InChI=1/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",C6H6ClN,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12562,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.256,PNPCRKVUWYDDST-UHFFFAOYSA-N,,,,,,,,,,,
100.003.264,203-589-4,108-50-9,"2,6-dimethylpyrazine","2,6-dimethylpyrazine",Cc1cncc(C)n1,Cc1cncc(C)n1,"InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3",C6H8N2,,,,,,HJFZAYHYIWGLNL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.265,203-591-5,108-52-1,4-methylpyrimidin-2-ylamine,4-methylpyrimidin-2-amine,Cc1ccnc(N)n1,Cc1ccnc(N)n1,"InChI=1/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)",C5H7N3,,,,,,GHCFWKFREBNSPC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.269,203-595-7,108-57-6,"1,3-divinylbenzene","1,3-divinylbenzene",C=Cc1cccc(C=C)c1,C=Cc1cccc(C=C)c1,"InChI=1/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2",C10H10,,,,,,PRJNEUBECVAVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.275,203-601-8,108-63-4,Bis(1-methylheptyl) adipate,bis(1-methylheptyl) adipate,CCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCC,CCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCC,"InChI=1/C22H42O4/c1-5-7-9-11-15-19(3)25-21(23)17-13-14-18-22(24)26-20(4)16-12-10-8-6-2/h19-20H,5-18H2,1-4H3",C22H42O4,,,,,,RTUMJAGKSDIHOW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.276,203-602-3,108-64-5,Ethyl isovalerate,ethyl 3-methylbutanoate,CCOC(=O)CC(C)C,CCOC(=O)CC(C)C,"InChI=1/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3",C7H14O2,,,,,,PPXUHEORWJQRHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.278,203-604-4,108-67-8,Mesitylene,mesitylene,Cc1cc(C)cc(C)c1,Cc1cc(C)cc(C)c1,"InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",C9H12,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9977,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.278,AUHZEENZYGFFBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.494,201-643-1,85-94-9,Cytidine 2'-monophosphate,2'-O-phosphonatocytidine,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)([O-])[O-],NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)([O-])[O-],"InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2",C9H14N3O8P,,,,,,YQUAKORMLHPSLZ-XVFCMESISA-L,,,,,,,,,,,
100.001.501,201-651-5,86-12-4,Thenalidine,1-methyl-N-phenyl-N-(2-thienylmethyl)piperidin-4-amine,CN1CCC(CC1)N(Cc2cccs2)c3ccccc3,CN1CCC(CC1)N(Cc2cccs2)c3ccccc3,"InChI=1/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3",C17H22N2S,,,,,,KLOHYVOVXOUKQI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.503,201-653-6,86-16-8,"4-(2,5-diethoxy-4-nitrophenyl)morpholine","4-(2,5-diethoxy-4-nitrophenyl)morpholine",CCOc1cc(c(OCC)cc1N2CCOCC2)[N+](=O)[O-],CCOc1cc(c(OCC)cc1N2CCOCC2)[N+](=O)[O-],"InChI=1/C14H20N2O5/c1-3-20-13-10-12(16(17)18)14(21-4-2)9-11(13)15-5-7-19-8-6-15/h9-10H,3-8H2,1-2H3",C14H20N2O5,,,,,,KNHGNICBXADRMC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.504,201-654-1,86-19-1,2-hydroxy-4'-methoxy-11H-benzo[a]carbazole-3-carboxanilide,2-hydroxy-N-(4-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide,COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)cc1,COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)cc1,"InChI=1/C24H18N2O3/c1-29-16-9-7-15(8-10-16)25-24(28)20-12-14-6-11-18-17-4-2-3-5-21(17)26-23(18)19(14)13-22(20)27/h2-13,26-27H,1H3,(H,25,28)",C24H18N2O3,,,,,,HRNSEOMPRWUKQL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.513,201-664-6,86-34-0,Phensuximide,"1-methyl-3-phenylpyrrolidine-2,5-dione",CN1C(=O)CC(C1=O)c2ccccc2,CN1C(=O)CC(C1=O)c2ccccc2,"InChI=1/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",C11H11NO2,,,,,,WLWFNJKHKGIJNW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.514,201-665-1,86-35-1,Ethotoin,"3-ethyl-5-phenylimidazolidine-2,4-dione",CCN1C(=O)NC(C1=O)c2ccccc2,CCN1C(=O)NC(C1=O)c2ccccc2,"InChI=1/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)",C11H12N2O2,,,,,,SZQIFWWUIBRPBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.526,201-678-2,86-52-2,1-(chloromethyl)naphthalene,1-(chloromethyl)naphthalene,ClCc1cccc2ccccc12,ClCc1cccc2ccccc12,"InChI=1/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2",C11H9Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19038,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.526,XMWGTKZEDLCVIG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.535,201-688-7,86-64-6,3-hydroxy-5-sulpho-2-naphthoic acid,3-hydroxy-5-sulfo-2-naphthoic acid,OC(=O)c1cc2cccc(c2cc1O)S(=O)(=O)O,OC(=O)c1cc2cccc(c2cc1O)S(=O)(=O)O,"InChI=1/C11H8O6S/c12-9-5-7-6(4-8(9)11(13)14)2-1-3-10(7)18(15,16)17/h1-5,12H,(H,13,14)(H,15,16,17)",C11H8O6S,,,,,,WKOROMVLBVSPRM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.537,201-690-8,86-66-8,"Naphthalene-1,3,6-trisulphonic acid","naphthalene-1,3,6-trisulfonic acid",OS(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)O,OS(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)",C10H8O9S3,,,,,,ZPBSAMLXSQCSOX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.538,201-691-3,86-67-9,"Thianthrene-1,9-dicarboxylic acid","thianthrene-1,9-dicarboxylic acid",OC(=O)c1cccc2Sc3cccc(C(=O)O)c3Sc12,OC(=O)c1cccc2Sc3cccc(C(=O)O)c3Sc12,"InChI=1/C14H8O4S2/c15-13(16)7-3-1-5-9-11(7)20-12-8(14(17)18)4-2-6-10(12)19-9/h1-6H,(H,15,16)(H,17,18)",C14H8O4S2,,,,,,WKUMLCTUNDLANJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.541,201-695-5,86-73-7,Fluorene,9H-fluorene,C1c2ccccc2c3ccccc13,C1c2ccccc2c3ccccc13,"InChI=1/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2",C13H10,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1383,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.541,NIHNNTQXNPWCJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.545,201-699-7,86-79-3,Carbazol-2-ol,9H-carbazol-2-ol,Oc1ccc2c(c1)[nH]c3ccccc23,Oc1ccc2c(c1)[nH]c3ccccc23,"InChI=1/C12H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13-14H",C12H9NO,,,,,,GWPGDZPXOZATKL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.546,201-700-0,86-80-6,Quinisocaine,"2-[(3-butylisoquinolin-1-yl)oxy]-N,N-dimethylethanamine",CCCCc1cc2ccccc2c(OCCN(C)C)n1,CCCCc1cc2ccccc2c(OCCN(C)C)n1,"InChI=1/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3",C17H24N2O,,,,,,XNMYNYSCEJBRPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.551,201-705-8,86-87-3,1-naphthylacetic acid,1-naphthylacetic acid,OC(=O)Cc1cccc2ccccc12,OC(=O)Cc1cccc2ccccc12,"InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)",C12H10O2,,,,,,PRPINYUDVPFIRX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.555,201-710-5,86-93-1,1-phenyltetrazole-5-thiol,1-phenyl-1H-tetrazole-5-thiol,Sc1nnnn1c2ccccc2,Sc1nnnn1c2ccccc2,"InChI=1/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)",C7H6N4S,,,,,,GGZHVNZHFYCSEV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.557,201-712-6,86-96-4,"(1H,3H)-quinazoline-2,4-dione","quinazoline-2,4(1H,3H)-dione",O=C1NC(=O)c2ccccc2N1,O=C1NC(=O)c2ccccc2N1,"InChI=1/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)",C8H6N2O2,,,,,,SDQJTWBNWQABLE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.103,202-312-4,94-19-9,Sulfaethidole,"4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,"InChI=1/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)",C10H12N4O2S2,,,,,,SVYBEBLNQGDRHF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.108,202-318-7,94-26-8,Butyl 4-hydroxybenzoate,butyl 4-hydroxybenzoate,CCCCOC(=O)c1ccc(O)cc1,CCCCOC(=O)c1ccc(O)cc1,"InChI=1/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3",C11H14O3,,,,,,QFOHBWFCKVYLES-UHFFFAOYSA-N,Positive/Negative,UF423401|UF423402|UF423403|UF423404,[M+H]+,HCD55|HCD80|CID35|CID55,95.049:139.0388:121.0282|83.0602:109.0395:121.0282|139.0387:151.0751|139.0387:151.0752,UFZ,SM863955;UF423451|UF423452|UF423453|UF423454,[M-H]-;[M-H]-,HCD35;HCD55|HCD80|CID35|CID55,193.087:136.0164:137.0243;193.087:149.0039|193.087:137.0244:92.0268|137.0244:136.0166:93.0346|137.0244:136.0166:93.0346,CASMI_2016;UFZ
100.002.116,202-327-6,94-36-0,Dibenzoyl peroxide,diphenylperoxyanhydride,O=C(OOC(=O)c1ccccc1)c2ccccc2,O=C(OOC(=O)c1ccccc1)c2ccccc2,InChI=1/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,C14H10O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15164,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.116,OMPJBNCRMGITSC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.117,202-328-1,94-37-1,Bis(piperidinothiocarbonyl) disulphide,"1,1'-[disulfanediylbis(carbonylsulfanediyl)]dipiperidine",O=C(SSC(=O)SN1CCCCC1)SN2CCCCC2,O=C(SSC(=O)SN1CCCCC1)SN2CCCCC2,InChI=1/C12H20N2O2S4/c15-11(17-13-7-3-1-4-8-13)19-20-12(16)18-14-9-5-2-6-10-14/h1-10H2,C12H20N2S4,,,,,,IJBZSQOPMOQYMO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.123,202-334-4,94-46-2,Isopentyl benzoate,3-methylbutyl benzoate,CC(C)CCOC(=O)c1ccccc1,CC(C)CCOC(=O)c1ccccc1,"InChI=1/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O2,,,,,,MLLAPOCBLWUFAP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.125,203-436-1,106-86-5,"1,2-epoxy-4-vinylcyclohexane",3-vinyl-7-oxabicyclo[4.1.0]heptane,C=CC1CCC2OC2C1,C=CC1CCC2OC2C1,"InChI=1/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2",C8H12O,,,,,,SLJFKNONPLNAPF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.128,203-439-8,106-89-8,"1-chloro-2,3-epoxypropane",2-(chloromethyl)oxirane,ClCC1CO1,ClCC1CO1,"InChI=1/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2",C3H5ClO,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15559,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.128,BRLQWZUYTZBJKN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.134,203-446-6,106-95-6,3-bromopropene,3-bromoprop-1-ene,BrCC=C,BrCC=C,"InChI=1/C3H5Br/c1-2-3-4/h2H,1,3H2",C3H5Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10333,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.134,BHELZAPQIKSEDF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.138,203-450-8,106-99-0,"Buta-1,3-diene","buta-1,3-diene",C=CC=C,C=CC=C,"InChI=1/C4H6/c1-3-4-2/h3-4H,1-2H2",C4H6,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15570,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.138,KAKZBPTYRLMSJV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.139,203-451-3,107-00-6,But-1-yne,but-1-yne,CCC#C,CCC#C,"InChI=1/C4H6/c1-3-4-2/h1H,4H2,2H3",C4H6,,,,,,KDKYADYSIPSCCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.140,203-452-9,107-01-7,2-butene,but-2-ene,CC=CC,CC=CC,"InChI=1/C4H8/c1-3-4-2/h3-4H,1-2H3",C4H8,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13346,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.140,IAQRGUVFOMOMEM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.142,203-455-5,107-03-9,Propane-1-thiol,propane-1-thiol,CCCS,CCCS,"InChI=1/C3H8S/c1-2-3-4/h4H,2-3H2,1H3",C3H8S,,,,,,SUVIGLJNEAMWEG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.147,203-460-2,107-08-4,1-iodopropane,1-iodopropane,CCCI,CCCI,"InChI=1/C3H7I/c1-2-3-4/h2-3H2,1H3",C3H7I,,,,,,PVWOIHVRPOBWPI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.153,203-467-0,107-14-2,Chloroacetonitrile,chloroacetonitrile,ClCC#N,ClCC#N,InChI=1/C2H2ClN/c3-1-2-4/h1H2,C2H2ClN,,,,,,RENMDAKOXSCIGH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.175,203-491-1,107-45-9,"1,1,3,3-tetramethylbutylamine","2,4,4-trimethylpentan-2-amine",CC(C)(C)CC(C)(C)N,CC(C)(C)CC(C)(C)N,"InChI=1/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3",C8H19N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13594,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.175,QIJIUJYANDSEKG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.180,203-496-9,107-50-6,Tetradecamethylcycloheptasiloxane,tetradecamethylcycloheptasiloxane,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1/C14H42O7Si7/c1-22(2)15-23(3,4)17-25(7,8)19-27(11,12)21-28(13,14)20-26(9,10)18-24(5,6)16-22/h1-14H3",C14H42O7Si7,,,,,,GSANOGQCVHBHIF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.182,203-499-5,107-52-8,Tetradecamethylhexasiloxane,tetradecamethylhexasiloxane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C14H42O5Si6/c1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6/h1-14H3",C14H42O5Si6,,,,,,ADANNTOYRVPQLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.183,203-500-9,107-54-0,"3,5-dimethylhex-1-yn-3-ol","3,5-dimethylhex-1-yn-3-ol",CC(C)CC(C)(O)C#C,CC(C)CC(C)(O)C#C,"InChI=1/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3",C8H14O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11452,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.183,NECRQCBKTGZNMH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.188,203-506-1,107-59-5,tert-butyl chloroacetate,tert-butyl chloroacetate,CC(C)(C)OC(=O)CCl,CC(C)(C)OC(=O)CCl,"InChI=1/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3",C6H11ClO2,,,,,,KUYMVWXKHQSIAS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.192,203-510-3,107-68-6,N-methyltaurine,2-(methylamino)ethanesulfonic acid,CNCCS(=O)(=O)O,CNCCS(=O)(=O)O,"InChI=1/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)",C3H9NO3S,,,,,,SUZRRICLUFMAQD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.196,203-515-0,107-72-2,Trichloropentylsilane,trichloro(pentyl)silane,CCCCC[Si](Cl)(Cl)Cl,CCCCC[Si](Cl)(Cl)Cl,"InChI=1/C5H11Cl3Si/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3",C5H11Cl3Si,,,,,,KWDQAHIRKOXFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.808,204-188-7,117-42-0,"8-aminonaphthalene-1,3,6-trisulphonic acid","8-aminonaphthalene-1,3,6-trisulfonic acid",Nc1cc(cc2cc(cc(c12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(cc2cc(cc(c12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO9S3/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)",C10H9NO9S3,,,,,,UBDHSURDYAETAL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.817,204-198-1,117-57-7,3-hydroxy-2-methylquinoline-4-carboxylic acid,3-hydroxy-2-methylquinoline-4-carboxylic acid,Cc1nc2ccccc2c(C(=O)O)c1O,Cc1nc2ccccc2c(C(=O)O)c1O,"InChI=1/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)",C11H9NO3,,,,,,RVGATDHHYVSTQG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.818,204-199-7,117-59-9,5-hydroxynaphthalene-1-sulphonic acid,5-hydroxynaphthalene-1-sulfonic acid,Oc1cccc2c(cccc12)S(=O)(=O)O,Oc1cccc2c(cccc12)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6,11H,(H,12,13,14)",C10H8O4S,,,,,,YLKCHWCYYNKADS-UHFFFAOYSA-N,Negative,,,,,,SM833051,[M-H]-,HCD35,223.007:159.0451:143.0502,CASMI_2016
100.003.819,204-200-0,117-61-3,"Benzidine-2,2'-disulphonic acid","4,4'-diaminobiphenyl-2,2'-disulfonic acid",Nc1ccc(c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)",C12H12N2O6S2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12572,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.819,MBJAPGAZEWPEFB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.825,204-206-3,117-77-1,2-amino-3-hydroxyanthraquinone,"2-amino-3-hydroxy-9,10-anthraquinone",Nc1cc2C(=O)c3ccccc3C(=O)c2cc1O,Nc1cc2C(=O)c3ccccc3C(=O)c2cc1O,"InChI=1/C14H9NO3/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16H,15H2",C14H9NO3,,,,,,CNWWMJSRHGXXAX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.830,204-212-6,117-82-8,Bis(2-methoxyethyl) phthalate,bis(2-methoxyethyl) phthalate,COCCOC(=O)c1ccccc1C(=O)OCCOC,COCCOC(=O)c1ccccc1C(=O)OCCOC,"InChI=1/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",C14H18O6,,,,,,HSUIVCLOAAJSRE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.832,204-214-7,117-84-0,Dioctyl phthalate,dioctyl phthalate,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,"InChI=1/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",C24H38O4,,,,,,MQIUGAXCHLFZKX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.847,204-230-4,118-04-7,2-(3-amino-4-chlorobenzoyl)benzoic acid,2-(3-amino-4-chlorobenzoyl)benzoic acid,Nc1cc(ccc1Cl)C(=O)c2ccccc2C(=O)O,Nc1cc(ccc1Cl)C(=O)c2ccccc2C(=O)O,"InChI=1/C14H10ClNO3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,16H2,(H,18,19)",C14H10ClNO3,,,,,,MQECGSWGDQIHHD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.848,204-232-5,118-07-0,"6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid","3-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=O)C1)c2ccc(cc2C)S(=O)(=O)O,CC1=NN(C(=O)C1)c2ccc(cc2C)S(=O)(=O)O,"InChI=1/C11H12N2O4S/c1-7-5-9(18(15,16)17)3-4-10(7)13-11(14)6-8(2)12-13/h3-5H,6H2,1-2H3,(H,15,16,17)",C11H12N2O4S,,,,,,AJPUJTAMBSRTEG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.850,204-234-6,118-10-5,Cinchonine,cinchonan-9-ol,O[C@@H](c2ccnc1ccccc12)[C@H]4C[C@@H]3CC[N@]4C[C@@H]3C=C,O[C@@H](c2ccnc1ccccc12)[C@H]4C[C@@H]3CC[N@]4C[C@@H]3C=C,"InChI=1/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2",C19H22N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16829,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.850,KMPWYEUPVWOPIM-QAMTZSDWSA-N,,,,,,,,,,,
100.003.865,204-250-3,118-44-5,Ethyl(1-naphthyl)amine,N-ethylnaphthalen-1-amine,CCNc1cccc2ccccc12,CCNc1cccc2ccccc12,"InChI=1/C12H13N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3",C12H13N,,,,,,KDFFXYVOTKKBDI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.867,204-252-4,118-46-7,8-amino-2-naphthol,8-amino-2-naphthol,Nc1cccc2ccc(O)cc12,Nc1cccc2ccc(O)cc12,"InChI=1/C10H9NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-6,12H,11H2",C10H9NO,,,,,,KVHHMYZBFBSVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.876,204-262-9,118-58-1,Benzyl salicylate,benzyl salicylate,Oc1ccccc1C(=O)OCc2ccccc2,Oc1ccccc1C(=O)OCc2ccccc2,"InChI=1/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2",C14H12O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16100,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.876,ZCTQGTTXIYCGGC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.878,204-265-5,118-61-6,Ethyl salicylate,ethyl salicylate,CCOC(=O)c1ccccc1O,CCOC(=O)c1ccccc1O,"InChI=1/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",C9H10O3,,,,,,GYCKQBWUSACYIF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.879,204-266-0,118-62-7,N-allylsalicylamide,N-allyl-2-hydroxybenzamide,Oc1ccccc1C(=O)NCC=C,Oc1ccccc1C(=O)NCC=C,"InChI=1/C10H11NO2/c1-2-7-11-10(13)8-5-3-4-6-9(8)12/h2-6,12H,1,7H2,(H,11,13)",C10H11NO2,,,,,,IECWHJOALGVHPA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.880,204-267-6,118-65-0,"[1R-(1R*,4Z,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene","4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene",C\\C\\1=C\\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1,C\C\1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1,"InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3",C15H24,,,,,,NPNUFJAVOOONJE-FLFDDASRSA-N,,,,,,,,,,,
100.003.288,203-615-4,108-78-1,Melamine,"1,3,5-triazine-2,4,6-triamine",Nc1nc(N)nc(N)n1,Nc1nc(N)nc(N)n1,"InChI=1/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)",C3H6N6,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15978,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.288,JDSHMPZPIAZGSV-UHFFFAOYSA-N,Positive,AU387001|AU387002;SM869903;EQ315101|EQ315102|EQ315103|EQ315104|EQ315105|EQ315106;TUE00491|TUE00492|TUE00493,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;NA10.0V|NA20.0V|NA40.0V,127.0727|127.0724;127.0726:85.0509:60.0558;127.0727:85.0509:60.0557|127.0727:85.0508:68.0243|127.0727:85.0509:60.0557|127.0727:85.0509:68.0243|85.0509:127.0727:68.0243|85.0509:127.0726:68.0243;127.0727:85.0509:68.0243|85.051:127.0725:43.0287|68.0244:43.0287:85.051,Athens_Univ;CASMI_2016;Eawag;Env_Anal_Chem_U_Tuebingen,,,,,
100.003.289,203-617-5,108-79-2,"4,6-dimethylpyrimidin-2-ol","4,6-dimethylpyrimidin-2-ol",Cc1cc(C)nc(O)n1,Cc1cc(C)nc(O)n1,"InChI=1/C6H8N2O/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)",C6H8N2O,,,,,,WHEQVHAIRSPYDK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.404,203-743-0,110-17-8,Fumaric acid,but-2-enedioic acid,OC(=O)\\C=C\\C(=O)O,OC(=O)\C=C\C(=O)O,"InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)",C4H4O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15099,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.404,VZCYOOQTPOCHFL-OWOJBTEDSA-N,,,,,,,,,,,
100.003.406,203-745-1,110-19-0,Isobutyl acetate,isobutyl acetate,CC(C)COC(=O)C,CC(C)COC(=O)C,"InChI=1/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3",C6H12O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14421,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.406,GJRQTCIYDGXPES-UHFFFAOYSA-N,,,,,,,,,,,
100.003.409,203-748-8,110-22-5,Diacetyl peroxide,dimethylperoxyanhydride,CC(=O)OOC(=O)C,CC(=O)OOC(=O)C,InChI=1/C4H6O4/c1-3(5)7-8-4(2)6/h1-2H3,C4H6O4,,,,,,ZQMIGQNCOMNODD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.410,203-749-3,110-25-8,(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine,N-methyl-N-oleoylglycine,CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O,"InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)",C21H39NO3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2155,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.410,DIOYAVUHUXAUPX-KHPPLWFESA-N,,,,,,,,,,,
100.003.418,203-758-2,110-34-9,Isobutyl palmitate,isobutyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(C)C,CCCCCCCCCCCCCCCC(=O)OCC(C)C,"InChI=1/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3",C20H40O2,,,,,,OJIBJRXMHVZPLV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.422,203-762-4,110-39-4,Octyl butyrate,octyl butyrate,CCCCCCCCOC(=O)CCC,CCCCCCCCOC(=O)CCC,"InChI=1/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3",C12H24O2,,,,,,PWLNAUNEAKQYLH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.423,203-764-5,110-40-7,Diethyl sebacate,diethyl sebacate,CCOC(=O)CCCCCCCCC(=O)OCC,CCOC(=O)CCCCCCCCC(=O)OCC,"InChI=1/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3",C14H26O4,,,,,,ONKUXPIBXRRIDU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.435,203-777-6,110-54-3,N-hexane,hexane,CCCCCC,CCCCCC,"InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",C6H14,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15741,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.435,VLKZOEOYAKHREP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.437,203-779-7,110-57-6,"trans-2,3-dichlorobut-2-ene","2,3-dichlorobut-2-ene",C\\C(=C(\\C)/Cl)\\Cl,C\C(=C(\C)/Cl)\Cl,InChI=1/C4H6Cl2/c1-3(5)4(2)6/h1-2H3,C4H6Cl2,,,,,,YRCBNVMRRBIDNF-ONEGZZNKSA-N,,,,,,,,,,,
100.003.438,203-780-2,110-58-7,Pentylamine,pentan-1-amine,CCCCCN,CCCCCN,"InChI=1/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3",C5H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11243,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.438,DPBLXKKOBLCELK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.443,203-786-5,110-63-4,"Butane-1,4-diol","butane-1,4-diol",OCCCCO,OCCCCO,"InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",C4H10O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15496,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.443,WERYXYBDKMZEQL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.446,203-789-1,110-66-7,Pentane-1-thiol,pentane-1-thiol,CCCCCS,CCCCCS,"InChI=1/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3",C5H12S,,,,,,ZRKMQKLGEQPLNS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.451,203-794-9,110-71-4,"1,2-dimethoxyethane","1,2-dimethoxyethane",COCCOC,COCCOC,"InChI=1/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3",C4H10O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14829,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.451,XTHFKEDIFFGKHM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.453,203-797-5,110-73-6,2-ethylaminoethanol,2-(ethylamino)ethanol,CCNCCO,CCNCCO,"InChI=1/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3",C4H11NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5533,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.453,MIJDSYMOBYNHOT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.457,203-802-0,110-77-0,2-(ethylthio)ethanol,2-(ethylsulfanyl)ethanol,CCSCCO,CCSCCO,"InChI=1/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3",C4H10OS,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12425,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.457,LNRIEBFNWGMXKP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.735,203-007-9,102-13-6,Isobutyl phenylacetate,isobutyl phenylacetate,CC(C)COC(=O)Cc1ccccc1,CC(C)COC(=O)Cc1ccccc1,"InChI=1/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17950,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.735,RJASFPFZACBKBE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.746,203-019-4,102-27-2,N-ethyl-m-toluidine,N-ethyl-3-methylaniline,CCNc1cccc(C)c1,CCNc1cccc(C)c1,"InChI=1/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3",C9H13N,,,,,,GUYMMHOQXYZMJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.747,203-021-5,102-28-3,3'-aminoacetanilide,N-(3-aminophenyl)acetamide,CC(=O)Nc1cccc(N)c1,CC(=O)Nc1cccc(N)c1,"InChI=1/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17428,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.747,PEMGGJDINLGTON-UHFFFAOYSA-N,,,,,,,,,,,
100.002.748,203-022-0,102-29-4,3-hydroxyphenyl acetate,3-hydroxyphenyl acetate,CC(=O)Oc1cccc(O)c1,CC(=O)Oc1cccc(O)c1,"InChI=1/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3",C8H8O3,,,,,,ZZPKZRHERLGEKA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.577,201-734-6,87-24-1,Ethyl o-toluate,ethyl 2-methylbenzoate,CCOC(=O)c1ccccc1C,CCOC(=O)c1ccccc1C,"InChI=1/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",C10H12O2,,,,,,SOUAXOGPALPTTC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.583,201-740-9,87-33-2,Isosorbide dinitrate,"1,4:3,6-dianhydro-2,5-di-O-nitro-D-glucitol",[O-][N+](=O)O[C@H]1CO[C@@H]2[C@H](O[N+]([O-])=O)CO[C@H]12,[O-][N+](=O)O[C@H]1CO[C@@H]2[C@H](O[N+]([O-])=O)CO[C@H]12,"InChI=1/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2",C6H8N2O8,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6275,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.583,MOYKHGMNXAOIAT-JGWLITMVSA-N,,,,,,,,,,,
100.001.584,201-741-4,87-39-8,5-hydroxyiminobarbituric acid,"pyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime",ON=C1C(=O)NC(=O)NC1=O,ON=C1C(=O)NC(=O)NC1=O,"InChI=1/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h11H,(H2,5,6,8,9,10)",C4H3N3O4,,,,,,JMUJZTASUDOAGC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.586,201-744-0,87-41-2,Phthalide,2-benzofuran-1(3H)-one,O=C1OCc2ccccc12,O=C1OCc2ccccc12,"InChI=1/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2",C8H6O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1708,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.586,WNZQDUSMALZDQF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.588,201-746-1,87-44-5,Caryophyllene,"4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene",C\\C\\1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1,C\C\1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1,"InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3",C15H24,,,,,,NPNUFJAVOOONJE-GFUGXAQUSA-N,,,,,,,,,,,
100.001.590,201-748-2,87-51-4,Indol-3-ylacetic acid,1H-indol-3-ylacetic acid,OC(=O)Cc1c[nH]c2ccccc12,OC(=O)Cc1c[nH]c2ccccc12,"InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",C10H9NO2,,,,,,SEOVTRFCIGRIMH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.594,201-752-4,87-56-9,Mucochloric acid,"2,3-dichloro-4-oxobut-2-enoic acid",O=CC(Cl)=C(Cl)C(O)=O,O=CC(Cl)=C(Cl)C(O)=O,"InChI=1/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)",C4H2Cl2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10388,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.594,LUMLZKVIXLWTCI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.609,201-769-7,87-74-1,D-glycero-D-gulo-heptonic acid,D-glycero-D-gulo-heptonic acid,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O,"InChI=1/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)",C7H14O8,,,,,,KWMLJOLKUYYJFJ-VFUOTHLCSA-N,,,,,,,,,,,
100.001.613,201-773-9,87-82-1,Hexabromobenzene,hexabromobenzene,Brc1c(Br)c(Br)c(Br)c(Br)c1Br,Brc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6Br6,,,,,,CAYGQBVSOZLICD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.618,201-779-1,87-87-6,Tetrachlorohydroquinone,"2,3,5,6-tetrachlorobenzene-1,4-diol",Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl,Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl,InChI=1/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H,C6H2Cl4O2,,,,,,STOSPPMGXZPHKP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.621,201-782-8,87-90-1,Symclosene,"1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione",ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,InChI=1/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11,C3Cl3N3O3,,,,,,YRIZYWQGELRKNT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.629,200-692-6,68-76-8,Triaziquone,"2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone",O=C1C=C(N2CC2)C(=O)C(=C1N3CC3)N4CC4,O=C1C=C(N2CC2)C(=O)C(=C1N3CC3)N4CC4,"InChI=1/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2",C12H13N3O2,,,,,,PXSOHRWMIRDKMP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.632,200-695-2,68-90-6,Benziodarone,"(2-ethyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone",CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3,CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3,"InChI=1/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",C17H12I2O3,,,,,,CZCHIEJNWPNBDE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.639,200-702-9,69-23-8,Fluphenazine,2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2",C22H26F3N3OS,,,,,,PLDUPXSUYLZYBN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.641,200-705-5,69-43-2,Prenylamine lactate,2-hydroxypropanoic acid - 3-methylbut-2-en-1-amine (1:1),NC\\C=C(/C)C.OC(=O)C(C)O,NC\C=C(/C)C.OC(=O)C(C)O,"InChI=1/C5H11N.C3H6O3/c1-5(2)3-4-6;1-2(4)3(5)6/h3H,4,6H2,1-2H3;2,4H,1H3,(H,5,6)",C24H27N.C3H6O3,,,,,,OQBVUCALPAWPQE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.643,200-707-6,69-46-5,Calcium bis(O-acetylsalicylate),calcium bis(2-acetoxybenzoate),[Ca+2].O=C(C)Oc1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1OC(C)=O,[Ca+2].O=C(C)Oc1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1OC(C)=O,"InChI=1/2C9H8O4.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2",C9H8O4.1/2Ca,,,,,,KRALOLGXHLZTCW-UHFFFAOYSA-L,,,,,,,,,,,
100.000.646,200-710-2,69-57-8,"Sodium [2S-(2a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O[Na],CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O[Na],"InChI=1/C16H18N2O4S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1",C16H18N2O4S.Na,,,,,,FCPVYOBCFFNJFS-UHFFFAOYSA-M,,,,,,,,,,,
100.003.205,203-525-5,107-84-6,1-chloro-3-methylbutane,1-chloro-3-methylbutane,CC(C)CCCl,CC(C)CCCl,"InChI=1/C5H11Cl/c1-5(2)3-4-6/h5H,3-4H2,1-2H3",C5H11Cl,,,,,,CZHLPWNZCJEPJB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.206,203-526-0,107-85-7,Isopentylamine,3-methylbutan-1-amine,CC(C)CCN,CC(C)CCN,"InChI=1/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3",C5H13N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7399,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.206,BMFVGAAISNGQNM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.208,203-528-1,107-87-9,Pentan-2-one,pentan-2-one,CCCC(=O)C,CCCC(=O)C,"InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",C5H10O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11491,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.208,XNLICIUVMPYHGG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.211,203-531-8,107-91-5,2-cyanoacetamide,2-cyanoacetamide,NC(=O)CC#N,NC(=O)CC#N,"InChI=1/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",C3H4N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11828,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.211,DGJMPUGMZIKDRO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.213,203-533-9,107-93-7,trans-crotonic acid,but-2-enoic acid,C\\C=C\\C(=O)O,C\C=C\C(=O)O,"InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)",C4H6O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10880,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.213,LDHQCZJRKDOVOX-NSCUHMNNSA-N,,,,,,,,,,,
100.003.214,203-534-4,107-94-8,3-chloropropionic acid,3-chloropropanoic acid,OC(=O)CCCl,OC(=O)CCCl,"InChI=1/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",C3H5ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12262,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.214,QEYMMOKECZBKAC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.216,203-537-0,107-96-0,3-mercaptopropionic acid,3-sulfanylpropanoic acid,OC(=O)CCS,OC(=O)CCS,"InChI=1/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)",C3H6O2S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5591,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.216,DKIDEFUBRARXTE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.217,203-538-6,107-97-1,Sarcosine,N-methylglycine,CNCC(=O)O,CNCC(=O)O,"InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",C3H7NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18702,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.217,FSYKKLYZXJSNPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.220,203-541-2,108-00-9,2-aminoethyldimethylamine,"N,N-dimethylethane-1,2-diamine",CN(C)CCN,CN(C)CCN,"InChI=1/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3",C4H12N2,,,,,,DILRJUIACXKSQE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.224,203-545-4,108-05-4,Vinyl acetate,vinyl acetate,CC(=O)OC=C,CC(=O)OC=C,"InChI=1/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",C4H6O2,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15530,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.224,XTXRWKRVRITETP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.229,203-551-7,108-11-2,4-methylpentan-2-ol,4-methylpentan-2-ol,CC(C)CC(C)O,CC(C)CC(C)O,"InChI=1/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3",C6H14O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16189,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.229,WVYWICLMDOOCFB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.230,203-552-2,108-12-3,Isovaleryl chloride,3-methylbutanoyl chloride,CC(C)CC(=O)Cl,CC(C)CC(=O)Cl,"InChI=1/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3",C5H9ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11918,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.230,ISULZYQDGYXDFW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.233,203-555-9,108-15-6,"N1,N1-dimethylpropane-1,2-diamine","N~1~,N~1~-dimethylpropane-1,2-diamine",CC(N)CN(C)C,CC(N)CN(C)C,"InChI=1/C5H14N2/c1-5(6)4-7(2)3/h5H,4,6H2,1-3H3",C5H14N2,,,,,,RRQHLOZQFPWDCA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.238,203-561-1,108-21-4,Isopropyl acetate,isopropyl acetate,CC(C)OC(=O)C,CC(C)OC(=O)C,"InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3",C5H10O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14777,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.238,JMMWKPVZQRWMSS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.247,203-571-6,108-31-6,Maleic anhydride,"furan-2,5-dione",O=C1OC(=O)C=C1,O=C1OC(=O)C=C1,InChI=1/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H,C4H2O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15798,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.247,FPYJFEHAWHCUMM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.250,203-574-2,108-36-1,"1,3-dibromobenzene","1,3-dibromobenzene",Brc1cccc(Br)c1,Brc1cccc(Br)c1,InChI=1/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4Br2,,,,,,JSRLURSZEMLAFO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.258,203-583-1,108-44-1,m-toluidine,m-toluidine,Cc1cccc(N)c1,Cc1cccc(N)c1,"InChI=1/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3",C7H9N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18872,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.258,JJYPMNFTHPTTDI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.260,203-585-2,108-46-3,Resorcinol,resorcinol,Oc1cccc(O)c1,Oc1cccc(O)c1,"InChI=1/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",C6H6O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13740,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.260,GHMLBKRAJCXXBS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.273,203-599-9,108-61-2,"2,2'-oxydipropanol","2,2'-oxydipropan-1-ol",CC(CO)OC(C)CO,CC(CO)OC(C)CO,"InChI=1/C6H14O3/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3",C6H14O3,,,,,,VMKMZRBPOSNUMX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.277,203-603-9,108-65-6,2-methoxy-1-methylethyl acetate,2-methoxy-1-methylethyl acetate,COCC(C)OC(=O)C,COCC(C)OC(=O)C,"InChI=1/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3",C6H12O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14773,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.277,LLHKCFNBLRBOGN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.285,203-612-8,108-74-7,"Hexahydro-1,3,5-trimethyl-1,3,5-triazine","1,3,5-trimethyl-1,3,5-triazinane",CN1CN(C)CN(C)C1,CN1CN(C)CN(C)C1,"InChI=1/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3",C6H15N3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13293,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.285,DPMZXMBOYHBELT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.286,203-613-3,108-75-8,"2,4,6-trimethylpyridine","2,4,6-trimethylpyridine",Cc1cc(C)nc(C)c1,Cc1cc(C)nc(C)c1,"InChI=1/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3",C8H11N,,,,,,BWZVCCNYKMEVEX-UHFFFAOYSA-N,Positive,SM806602,[M+H]+,HCD35,122.0964:79.0542:81.0699,CASMI_2016,,,,,
100.003.883,204-270-2,118-70-7,"Pyrimidine-4,5,6-triyltriamine","pyrimidine-4,5,6-triamine",Nc1ncnc(N)c1N,Nc1ncnc(N)c1N,"InChI=1/C4H7N5/c5-2-3(6)8-1-9-4(2)7/h1H,5H2,(H4,6,7,8,9)",C4H7N5,,,,,,MPNBXFXEMHPGTK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.893,204-281-2,118-86-5,"2,2'-thiobis(5-aminobenzenesulphonic) acid","2,2'-sulfanediylbis(5-aminobenzenesulfonic acid)",Nc1ccc(Sc2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(Sc2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C12H12N2O6S3/c13-7-1-3-9(11(5-7)22(15,16)17)21-10-4-2-8(14)6-12(10)23(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)",C12H12N2O6S3,,,,,,CHBFUBKXMBQCKO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.894,204-282-8,118-88-7,4-aminotoluene-2-sulphonic acid,5-amino-2-methylbenzenesulfonic acid,Cc1ccc(N)cc1S(=O)(=O)O,Cc1ccc(N)cc1S(=O)(=O)O,"InChI=1/C7H9NO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12327,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.894,BRKFTWHPLMMNHF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.900,204-289-6,118-96-7,"2,4,6-trinitrotoluene","2-methyl-1,3,5-trinitrobenzene",Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3",C7H5N3O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16165,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.900,SPSSULHKWOKEEL-UHFFFAOYSA-N,Negative,,,,,,UA004205,[M]-,CID35,210.0155:197.0203:137.0245,UFZ_Additional_Specs
100.003.913,204-304-6,119-18-6,5-oxo-1-phenyl-2-pyrazoline-3-carboxylic acid,"5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1)c2ccccc2,OC(=O)C1=NN(C(=O)C1)c2ccccc2,"InChI=1/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)",C10H8N2O3,,,,,,IMZSHPUSPMOODC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.024,205-526-6,142-18-7,"2,3-dihydroxypropyl laurate","2,3-dihydroxypropyl laurate",CCCCCCCCCCCC(=O)OCC(O)CO,CCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3",C15H30O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13112,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.024,ARIWANIATODDMH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.025,205-527-1,142-19-8,Allyl heptanoate,allyl heptanoate,CCCCCCC(=O)OCC=C,CCCCCCC(=O)OCC=C,"InChI=1/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3",C10H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12576,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.025,SJWKGDGUQTWDRV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.031,205-533-4,142-30-3,"2,5-dimethylhexyne-2,5-diol","2,5-dimethylhex-3-yne-2,5-diol",CC(C)(O)C#CC(C)(C)O,CC(C)(O)C#CC(C)(C)O,"InChI=1/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3",C8H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11608,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.031,IHJUECRFYCQBMW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.036,205-539-7,142-48-3,N-(1-oxooctadecyl)sarcosine,N-methyl-N-stearoylglycine,CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O,"InChI=1/C21H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h3-19H2,1-2H3,(H,24,25)",C21H41NO3,,,,,,RJYOKYDKKOFLBT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.042,205-546-5,142-58-5,N-(2-hydroxyethyl)myristamide,N-(2-hydroxyethyl)tetradecanamide,CCCCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCCCC(=O)NCCO,"InChI=1/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)",C16H33NO2,,,,,,JHIXEZNTXMFXEK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.043,205-547-0,142-59-6,Nabam,"disodium ethane-1,2-diylbis(dithiocarbamate)",[Na+].[Na+].[S-]C(=S)NCCNC(=S)[S-],[Na+].[Na+].[S-]C(=S)NCCNC(=S)[S-],"InChI=1/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2",C4H8N2S4.2Na,,,,,,UQJQVUOTMVCFHX-UHFFFAOYSA-L,,,,,,,,,,,
100.005.044,205-548-6,142-60-9,Octyl propionate,octyl propionate,CCCCCCCCOC(=O)CC,CCCCCCCCOC(=O)CC,"InChI=1/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3",C11H22O2,,,,,,CEQGYPPMTKWBIU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.063,205-569-0,142-88-1,Piperazine adipate,hexanedioic acid - piperazine (1:1),OC(=O)CCCCC(=O)O.C1CNCCN1,OC(=O)CCCCC(=O)O.C1CNCCN1,"InChI=1/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2",C6H10O4.C4H10N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12505,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.063,BVEGEKOBSPXUJS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.068,205-574-8,142-95-0,Octylammonium chloride,octan-1-aminium chloride,[Cl-].CCCCCCCC[NH3+],[Cl-].CCCCCCCC[NH3+],"InChI=1/C8H19N.ClH/c1-2-3-4-5-6-7-8-9;/h2-9H2,1H3;1H",C8H19N.ClH,,,,,,PHFDTSRDEZEOHG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.074,205-581-6,143-06-6,(6-aminohexyl)carbamic acid,(6-aminohexyl)carbamic acid,NCCCCCCNC(=O)O,NCCCCCCNC(=O)O,"InChI=1/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)",C7H16N2O2,,,,,,HDIHOAXFFROQHR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.077,205-584-2,143-10-2,Decane-1-thiol,decane-1-thiol,CCCCCCCCCCS,CCCCCCCCCCS,"InChI=1/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",C10H22S,,,,,,VTXVGVNLYGSIAR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.078,205-585-8,143-13-5,Nonyl acetate,nonyl acetate,CCCCCCCCCOC(=O)C,CCCCCCCCCOC(=O)C,"InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3",C11H22O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16891,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.078,GJQIMXVRFNLMTB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.351,205-884-3,191-26-4,"Dibenzo[def,mno]chrysene","naphtho[7,8,1,2,3-nopqr]tetraphene",c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c45,c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c45,InChI=1/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H,C22H12,,,,,,YFIJJNAKSZUOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.749,203-023-6,102-30-7,"(3,4-dichlorobenzyl)dodecyldimethylammonium chloride","N-(3,4-dichlorobenzyl)-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1,[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1,"InChI=1/C21H36Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-24(2,3)18-19-14-15-20(22)21(23)17-19;/h14-15,17H,4-13,16,18H2,1-3H3;1H/q+1;/p-1",C21H36Cl2N.Cl,,,,,,YWMSPYAVKFABPD-UHFFFAOYSA-M,,,,,,,,,,,
100.002.761,203-036-7,102-50-1,4-methoxy-o-toluidine,4-methoxy-2-methylaniline,COc1ccc(N)c(C)c1,COc1ccc(N)c(C)c1,"InChI=1/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3",C8H11NO,,,,,,CDGNLUSBENXDGG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.763,203-038-8,102-53-4,"N,N,N',N'-tetraethylmethylenediamine","N,N,N',N'-tetraethylmethanediamine",CCN(CC)CN(CC)CC,CCN(CC)CN(CC)CC,"InChI=1/C9H22N2/c1-5-10(6-2)9-11(7-3)8-4/h5-9H2,1-4H3",C9H22N2,,,,,,UNEXJVCWJSHFNN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.766,203-041-4,102-60-3,"1,1',1'',1'''-ethylenedinitrilotetrapropan-2-ol","1,1',1'',1'''-(ethane-1,2-diyldinitrilo)tetrapropan-2-ol",CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,"InChI=1/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3",C14H32N2O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5253,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.766,NSOXQYCFHDMMGV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.767,203-043-5,102-63-6,"4-(2,4-xylylazo)-o-toluidine","4-[(2,4-dimethylphenyl)diazenyl]-2-methylaniline",Cc1ccc(N=Nc2ccc(N)c(C)c2)c(C)c1,Cc1ccc(N=Nc2ccc(N)c(C)c2)c(C)c1,"InChI=1/C15H17N3/c1-10-4-7-15(12(3)8-10)18-17-13-5-6-14(16)11(2)9-13/h4-9H,16H2,1-3H3",C15H17N3,,,,,,FBVBEKWBELWCNW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.768,203-044-0,102-65-8,Sulfaclozine,4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2cncc(Cl)n2,Nc1ccc(cc1)S(=O)(=O)Nc2cncc(Cl)n2,"InChI=1/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)",C10H9ClN4O2S,,,,,,QKLPUVXBJHRFQZ-UHFFFAOYSA-N,Positive,AU100601,[M+H]+,CID21.1-31.6,156.0118:108.0457:157.015,Athens_Univ,,,,,
100.002.769,203-045-6,102-67-0,Tripropylaluminium,tripropylaluminum,CCC[Al](CCC)CCC,CCC[Al](CCC)CCC,"InChI=1/3C3H7.Al/c3*1-3-2;/h3*1,3H2,2H3;/rC9H21Al/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3",C9H21Al,,,,,,CNWZYDSEVLFSMS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.779,203-056-6,102-80-7,"N,N,N',N'-tetrapentylethylenediamine","N,N,N',N'-tetrapentylethane-1,2-diamine",CCCCCN(CCCCC)CCN(CCCCC)CCCCC,CCCCCN(CCCCC)CCN(CCCCC)CCCCC,"InChI=1/C22H48N2/c1-5-9-13-17-23(18-14-10-6-2)21-22-24(19-15-11-7-3)20-16-12-8-4/h5-22H2,1-4H3",C22H48N2,,,,,,MPAOWNJUCRLLEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.783,203-060-8,102-84-1,Triallyl phosphite,triallyl phosphite,C=CCOP(OCC=C)OCC=C,C=CCOP(OCC=C)OCC=C,"InChI=1/C9H15O3P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-6H,1-3,7-9H2",C9H15O3P,,,,,,KJWHEZXBZQXVSA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.786,203-063-4,102-87-4,Tridodecylamine,"N,N-didodecyldodecan-1-amine",CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",C36H75N,,,,,,SWZDQOUHBYYPJD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.462,203-807-8,110-83-8,Cyclohexene,cyclohexene,C1CCC=CC1,C1CCC=CC1,"InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",C6H10,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12717,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.462,HGCIXCUEYOPUTN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.463,203-808-3,110-85-0,Piperazine,piperazine,C1CNCCN1,C1CNCCN1,"InChI=1/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2",C4H10N2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14941,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.463,GLUUGHFHXGJENI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.466,203-812-5,110-88-3,"1,3,5-trioxane","1,3,5-trioxane",C1OCOCO1,C1OCOCO1,InChI=1/C3H6O3/c1-4-2-6-3-5-1/h1-3H2,C3H6O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15244,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.466,BGJSXRVXTHVRSN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.470,203-816-7,110-93-0,6-methylhept-5-en-2-one,6-methylhept-5-en-2-one,CC(=CCCC(=O)C)C,CC(=CCCC(=O)C)C,"InChI=1/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",C8H14O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12205,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.470,UHEPJGULSIKKTP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.471,203-817-2,110-94-1,Glutaric acid,glutaric acid,OC(=O)CCCC(=O)O,OC(=O)CCCC(=O)O,"InChI=1/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",C5H8O4,,,,,,JFCQEDHGNNZCLN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.473,203-819-3,110-96-3,Diisobutylamine,N-isobutyl-2-methylpropan-1-amine,CC(C)CNCC(C)C,CC(C)CNCC(C)C,"InChI=1/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3",C8H19N,,,,,,NJBCRXCAPCODGX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.478,203-825-6,111-01-3,"2,6,10,15,19,23-hexamethyltetracosane","2,6,10,15,19,23-hexamethyltetracosane",CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,"InChI=1/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3",C30H62,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14412,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.478,PRAKJMSDJKAYCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.487,203-835-0,111-11-5,Methyl octanoate,methyl octanoate,CCCCCCCC(=O)OC,CCCCCCCC(=O)OC,"InChI=1/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3",C9H18O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15958,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.487,JGHZJRVDZXSNKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.488,203-836-6,111-12-6,Methyl oct-2-ynoate,methyl oct-2-ynoate,CCCCCC#CC(=O)OC,CCCCCC#CC(=O)OC,"InChI=1/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3",C9H14O2,,,,,,FRLZQXRXIKQFNS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.655,200-720-7,69-93-2,Uric acid,"7,9-dihydro-1H-purine-2,6,8(3H)-trione",O=C1NC(=O)C2=C(NC(=O)N2)N1,O=C1NC(=O)C2=C(NC(=O)N2)N1,"InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",C5H4N4O3,,,,,,LEHOTFFKMJEONL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.659,200-724-9,70-11-1,2-bromoacetophenone,2-bromo-1-phenylethanone,BrCC(=O)c1ccccc1,BrCC(=O)c1ccccc1,"InChI=1/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2",C8H7BrO,,,,,,LIGACIXOYTUXAW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.662,200-728-0,70-22-4,1-(4-(pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one,1-(4-pyrrolidin-1-ylbut-2-yn-1-yl)pyrrolidin-2-one,O=C1CCCN1CC#CCN2CCCC2,O=C1CCCN1CC#CCN2CCCC2,"InChI=1/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2",C12H18N2O,,,,,,RSDOPYMFZBJHRL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.666,200-732-2,70-29-1,Diethyl sulphoxide,"1,1'-sulfinyldiethane",CCS(=O)CC,CCS(=O)CC,"InChI=1/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3",C4H10OS,,,,,,CCAFPWNGIUBUSD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.670,200-736-4,70-49-5,Mercaptosuccinic acid,2-sulfanylsuccinic acid,OC(=O)CC(S)C(=O)O,OC(=O)CC(S)C(=O)O,"InChI=1/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)",C4H6O4S,,,,,,NJRXVEJTAYWCQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.674,200-741-1,70-55-3,Toluene-4-sulphonamide,4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)N,Cc1ccc(cc1)S(=O)(=O)N,"InChI=1/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",C7H9NO2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10745,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.674,LMYRWZFENFIFIT-UHFFFAOYSA-N,Positive/Negative,SM880502;EQ361801|EQ361802|EQ361803|EQ361804|EQ361805|EQ361806|EQ361807|EQ361808|EQ361809;UF418501|UF418502|UF418503|UF418504,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD55|HCD80|CID35|CID55,91.0542:119.0604:109.0648;155.0162:119.0604:109.0648|119.0604:155.0161:109.0648|119.0604:91.0542:109.0649|91.0542:119.0604:109.0649|91.0542:65.0386:119.0604|91.0542:65.0386:119.0605|65.0386:91.0543:63.023|65.0386:91.0543:63.023|65.0386:63.023:51.023;119.0607:91.0545|91.0544:119.0607|155.0167:119.0608:91.0545|155.0166:119.0608:91.0545,CASMI_2016;Eawag;UFZ,EQ361851|EQ361852|EQ361853|EQ361854|EQ361855|EQ361856|EQ361857|EQ361858|EQ361859,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,170.0282:106.0662:171.0122|170.0282:106.0662:171.0122|170.0282:106.0662:79.9812|106.0662:79.9812:170.0282|106.0662:79.9812:78.9733|78.9733:61.9706:79.9812|61.9706:63.9624:78.9733|63.9624:61.9706:78.9733|63.9624:61.9706:78.9733,Eawag
100.000.677,200-744-8,70-78-0,3-iodo-L-tyrosine,3-iodotyrosine,N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O,"InChI=1/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)",C9H10INO3,,,,,,UQTZMGFTRHFAAM-ZETCQYMHSA-N,,,,,,,,,,,
100.000.678,200-745-3,71-00-1,Histidine,histidine,NC(Cc1c[nH]cn1)C(=O)O,NC(Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)",C6H9N3O2,,,,,,HNDVDQJCIGZPNO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.686,200-754-2,71-44-3,"4,9-diazadodecamethylenediamine","N,N'-bis(3-aminopropyl)butane-1,4-diamine",NCCCNCCCCNCCCN,NCCCNCCCCNCCCN,"InChI=1/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",C10H26N4,,,,,,PFNFFQXMRSDOHW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.689,200-757-9,71-58-9,Medroxyprogesterone acetate,"6-methyl-3,20-dioxopregn-4-en-17-yl acetate",C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(=O)C)C(=O)C)[C@@]4(C)CCC(=O)C=C14,C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(=O)C)C(=O)C)[C@@]4(C)CCC(=O)C=C14,"InChI=1/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3",C24H34O4,,,,,,PSGAAPLEWMOORI-PEINSRQWSA-N,Positive,SM874903,[M+H]+,HCD35,387.253:123.0804:327.2319,CASMI_2016,,,,,
100.000.691,200-760-5,71-63-6,Digitoxin,"3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,"InChI=1/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3",C41H64O13,,,,,,WDJUZGPOPHTGOT-XUDUSOBPSA-N,,,,,,,,,,,
100.000.692,200-761-0,71-67-0,"Disodium 6,6'-dihydroxy-3,3'-(4,5,6,7-tetrabromo-1,3-dihydro-3-oxoisobenzofuran-1-ylidene)dibenzenesulphonate","disodium 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)",[Na+].[Na+].Oc1ccc(cc1S(=O)(=O)[O-])C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S(=O)(=O)[O-],[Na+].[Na+].Oc1ccc(cc1S(=O)(=O)[O-])C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S(=O)(=O)[O-],"InChI=1/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H10Br4O10S2.2Na,,,,,,GHAFORRTMVIXHS-UHFFFAOYSA-L,,,,,,,,,,,
100.000.695,200-764-7,71-78-3,Pipradrol hydrochloride,diphenyl(piperidin-2-yl)methanol hydrochloride,Cl.OC(C1CCCCN1)(c2ccccc2)c3ccccc3,Cl.OC(C1CCCCN1)(c2ccccc2)c3ccccc3,"InChI=1/C18H21NO.ClH/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;/h1-6,9-12,17,19-20H,7-8,13-14H2;1H",C18H21NO.ClH,,,,,,KIFIYUHFHGSNHL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.699,200-768-9,71-90-9,DL-2-methylglutamic acid,2-methylglutamic acid,O=C(O)CCC(N)(C)C(O)=O,O=C(O)CCC(N)(C)C(O)=O,"InChI=1/C6H11NO4/c1-6(7,5(10)11)3-2-4(8)9/h2-3,7H2,1H3,(H,8,9)(H,10,11)",C6H11NO4,,,,,,QHSCIWIRXWFIGH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.702,200-772-0,72-17-3,Sodium lactate,sodium 2-hydroxypropanoate,[Na+].CC(O)C(=O)[O-],[Na+].CC(O)C(=O)[O-],"InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",C3H6O3.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13477,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.702,NGSFWBMYFKHRBD-UHFFFAOYSA-M,,,,,,,,,,,
100.003.411,203-750-9,110-26-9,"N,N'-methylenediacrylamide","N,N'-methylenebisacrylamide",C=CC(=O)NCNC(=O)C=C,C=CC(=O)NCNC(=O)C=C,"InChI=1/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)",C7H10N2O2,,,,,,ZIUHHBKFKCYYJD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.419,203-759-8,110-36-1,Butyl myristate,butyl myristate,CCCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3",C18H36O2,,,,,,DHAZIUXMHRHVMP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.425,203-766-6,110-42-9,Methyl decanoate,methyl decanoate,CCCCCCCCCC(=O)OC,CCCCCCCCCC(=O)OC,"InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3",C11H22O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16051,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.425,YRHYCMZPEVDGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.427,203-768-7,110-44-1,"Hexa-2,4-dienoic acid","hexa-2,4-dienoic acid",CC=CC=CC(O)=O,CC=CC=CC(O)=O,"InChI=1/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)",C6H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11476,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.427,WSWCOQWTEOXDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.428,203-769-2,110-45-2,Isopentyl formate,3-methylbutyl formate,CC(C)CCOC=O,CC(C)CCOC=O,"InChI=1/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3",C6H12O2,,,,,,XKYICAQFSCFURC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.433,203-775-5,110-52-1,"1,4-dibromobutane","1,4-dibromobutane",BrCCCCBr,BrCCCCBr,InChI=1/C4H8Br2/c5-3-1-2-4-6/h1-4H2,C4H8Br2,,,,,,ULTHEAFYOOPTTB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.439,203-781-8,110-59-8,Valeronitrile,valeronitrile,CCCCC#N,CCCCC#N,"InChI=1/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3",C5H9N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5544,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.439,RFFFKMOABOFIDF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.440,203-782-3,110-60-1,Tetramethylenediamine,"butane-1,4-diamine",NCCCCN,NCCCCN,InChI=1/C4H12N2/c5-3-1-2-4-6/h1-6H2,C4H12N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11388,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.440,KIDHWZJUCRJVML-UHFFFAOYSA-N,,,,,,,,,,,
100.003.442,203-784-4,110-62-3,Valeraldehyde,valeraldehyde,CCCCC=O,CCCCC=O,"InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",C5H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14541,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.442,HGBOYTHUEUWSSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.444,203-787-0,110-64-5,"But-2-ene-1,4-diol","but-2-ene-1,4-diol",OCC=CCO,OCC=CCO,"InChI=1/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2",C4H8O2,,,,,,ORTVZLZNOYNASJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.459,203-804-1,110-80-5,2-ethoxyethanol,2-ethoxyethanol,CCOCCO,CCOCCO,"InChI=1/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",C4H10O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14915,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.459,ZNQVEEAIQZEUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.734,203-006-3,102-11-4,Benzyl(methyl)(2-methylaminoethyl)amine,"N-benzyl-N,N'-dimethylethane-1,2-diamine",CNCCN(C)Cc1ccccc1,CNCCN(C)Cc1ccccc1,"InChI=1/C11H18N2/c1-12-8-9-13(2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3",C11H18N2,,,,,,PVFIKWLTVKSXED-UHFFFAOYSA-N,,,,,,,,,,,
100.002.738,203-011-0,102-18-1,"N,N'-dibenzyl-N,N'-dimethylethylenediamine","N,N'-dibenzyl-N,N'-dimethylethane-1,2-diamine",CN(CCN(C)Cc1ccccc1)Cc2ccccc2,CN(CCN(C)Cc1ccccc1)Cc2ccccc2,"InChI=1/C18H24N2/c1-19(15-17-9-5-3-6-10-17)13-14-20(2)16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3",C18H24N2,,,,,,VRPZLDIUBCEYBA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.751,203-025-7,102-33-0,N-(3-amino-4-hydroxyphenyl)acetamide,N-(3-amino-4-hydroxyphenyl)acetamide,CC(=O)Nc1ccc(O)c(N)c1,CC(=O)Nc1ccc(O)c(N)c1,"InChI=1/C8H10N2O2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,9H2,1H3,(H,10,11)",C8H10N2O2,,,,,,ZZLSKMRCEGCSIH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.755,203-029-9,102-41-0,2-m-toluidinoethanol,2-[(3-methylphenyl)amino]ethanol,Cc1cccc(NCCO)c1,Cc1cccc(NCCO)c1,"InChI=1/C9H13NO/c1-8-3-2-4-9(7-8)10-5-6-11/h2-4,7,10-11H,5-6H2,1H3",C9H13NO,,,,,,GZCPEUOCUUNCLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.762,203-037-2,102-52-3,"1,1,3,3-tetramethoxypropane","1,1,3,3-tetramethoxypropane",COC(CC(OC)OC)OC,COC(CC(OC)OC)OC,"InChI=1/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3",C7H16O4,,,,,,XHTYQFMRBQUCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.772,203-048-2,102-70-5,Triallylamine,"N,N-diallylprop-2-en-1-amine",C=CCN(CC=C)CC=C,C=CCN(CC=C)CC=C,"InChI=1/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2",C9H15N,,,,,,VPYJNCGUESNPMV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.775,203-051-9,102-76-1,Triacetin,"propane-1,2,3-triyl triacetate",CC(=O)OCC(COC(=O)C)OC(=O)C,CC(=O)OCC(COC(=O)C)OC(=O)C,"InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3",C9H14O6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15139,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.775,URAYPUMNDPQOKB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.781,203-058-7,102-82-9,Tributylamine,"N,N-dibutylbutan-1-amine",CCCCN(CCCC)CCCC,CCCCN(CCCC)CCCC,"InChI=1/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27N,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13327,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.781,IMFACGCPASFAPR-UHFFFAOYSA-N,Positive,EQ315001|EQ315002|EQ315003|EQ315004|EQ315005|EQ315006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,186.2215:130.159:74.0964|186.2215:130.159:74.0964|186.2216:130.159:74.0964|186.2216:130.159:74.0964|130.159:186.2216:57.0699|57.0699:130.159:74.0964,Eawag,,,,,
100.002.782,203-059-2,102-83-0,3-aminopropyldibutylamine,"N,N-dibutylpropane-1,3-diamine",CCCCN(CCCC)CCCN,CCCCN(CCCC)CCCN,"InChI=1/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3",C11H26N2,,,,,,KYCGURZGBKFEQB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.460,203-805-7,110-81-6,Diethyl disulphide,"1,1'-disulfanediyldiethane",CCSSCC,CCSSCC,"InChI=1/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3",C4H10S2,,,,,,CETBSQOFQKLHHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.355,205-889-0,191-48-0,"Benzo[a,a',a']triacenaphthylene","diacenaphtho[1,2-j:1',2'-l]fluoranthene",c1cc2c3c4c5cccc6cccc(c4c7c8cccc9cccc(c7c3c%10cccc(c1)c2%10)c89)c56,c1cc2c3c4c5cccc6cccc(c4c7c8cccc9cccc(c7c3c%10cccc(c1)c2%10)c89)c56,InChI=1/C36H18/c1-7-19-8-2-14-23-28(19)22(13-1)31-32(23)34-26-17-5-11-21-12-6-18-27(30(21)26)36(34)35-25-16-4-10-20-9-3-15-24(29(20)25)33(31)35/h1-18H,C36H18,,,,,,PGWMKUGJLHCNPE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.358,205-892-7,192-97-2,Benzo[e]pyrene,benzo[e]pyrene,c1ccc2c(c1)c3cccc4ccc5cccc2c5c34,c1ccc2c(c1)c3cccc4ccc5cccc2c5c34,InChI=1/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H,C20H12,,,,,,TXVHTIQJNYSSKO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.361,205-895-3,194-59-2,"7H-dibenzo[c,g]carbazole","7H-dibenzo[c,g]carbazole",c1ccc2c(c1)ccc3[nH]c4ccc5ccccc5c4c23,c1ccc2c(c1)ccc3[nH]c4ccc5ccccc5c4c23,"InChI=1/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H",C20H13N,,,,,,STJXCDGCXVZHDU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.363,205-897-4,196-28-1,"Dibenzo[c,mno]chrysene","dibenzo[m,pqr]tetraphene",c1ccc2c(c1)ccc3cc4ccc5cccc6ccc(c23)c4c56,c1ccc2c(c1)ccc3cc4ccc5cccc6ccc(c23)c4c56,InChI=1/C24H14/c1-2-7-20-15(4-1)8-10-18-14-19-11-9-16-5-3-6-17-12-13-21(23(18)20)24(19)22(16)17/h1-14H,C24H14,,,,,,ANKRFBWKEPAECS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.366,205-901-4,200-23-7,Benzo(k l)xanthene,benzo[kl]xanthene,O1c2ccccc2c3cccc4cccc1c34,O1c2ccccc2c3cccc4cccc1c34,InChI=1/C16H10O/c1-2-9-14-12(7-1)13-8-3-5-11-6-4-10-15(17-14)16(11)13/h1-10H,C16H10O,,,,,,QKOSFCWXOIAFTO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.371,205-907-7,203-80-5,Phenalene,1H-phenalene,C1C=Cc2cccc3cccc1c23,C1C=Cc2cccc3cccc1c23,"InChI=1/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2",C13H10,,,,,,XDJOIMJURHQYDW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.374,205-910-3,205-82-3,Benzo[j]fluoranthene,benzo[j]fluoranthene,c1ccc2c3c(ccc2c1)c4cccc5cccc3c45,c1ccc2c3c(ccc2c1)c4cccc5cccc3c45,InChI=1/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H,C20H12,,,,,,KHNYNFUTFKJLDD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.381,204-818-0,126-99-8,"2-chlorobuta-1,3-diene","2-chlorobuta-1,3-diene",ClC(=C)C=C,ClC(=C)C=C,"InChI=1/C4H5Cl/c1-3-4(2)5/h3H,1-2H2",C4H5Cl,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15226,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.381,YACLQRRMGMJLJV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.388,204-825-9,127-18-4,Tetrachloroethylene,tetrachloroethene,ClC(=C(Cl)Cl)Cl,ClC(=C(Cl)Cl)Cl,InChI=1/C2Cl4/c3-1(4)2(5)6,C2Cl4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14303,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.388,CYTYCFOTNPOANT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.391,204-829-0,127-21-9,"1,3-dichlorotetrafluoroacetone","1,3-dichloro-1,1,3,3-tetrafluoroacetone",FC(F)(Cl)C(=O)C(F)(F)Cl,FC(F)(Cl)C(=O)C(F)(F)Cl,"InChI=1/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9",C3Cl2F4O,,,,,,QRKKTXWUDLJYCV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.087,205-595-2,143-26-0,4-(tetradecylamino)butan-2-ol,4-(tetradecylamino)butan-2-ol,CCCCCCCCCCCCCCNCCC(C)O,CCCCCCCCCCCCCCNCCC(C)O,"InChI=1/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2)20/h18-20H,3-17H2,1-2H3",C18H39NO,,,,,,UGXJCRVJODURNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.090,205-598-9,143-29-3,Bis(2-(2-butoxyethoxy)ethoxy)methane,"5,8,11,13,16,19-hexaoxatricosane",CCCCOCCOCCOCOCCOCCOCCCC,CCCCOCCOCCOCOCCOCCOCCCC,"InChI=1/C17H36O6/c1-3-5-7-18-9-11-20-13-15-22-17-23-16-14-21-12-10-19-8-6-4-2/h3-17H2,1-2H3",C17H36O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13599,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.090,DKWHHTWSTXZKDW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.096,205-605-5,143-66-8,Sodium tetraphenylborate,sodium tetraphenylborate(1-),[Na+].c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4,[Na+].c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20B.Na/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",C24H20B.Na,,,,,,HFSRCEJMTLMDLI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.097,205-606-0,143-67-9,Vinblastine sulphate,vincaleukoblastine sulfate,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O,"InChI=1/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)",C46H58N4O9.H2O4S,,,,,,KDQAABAKXDWYSZ-JKDPCDLQSA-N,,,,,,,,,,,
100.005.113,205-623-3,144-33-2,Disodium hydrogen citrate,hydrogen disodium citrate,[Na+].[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Na+].[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.2Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-3",C6H8O7.2Na,,,,,,CEYULKASIQJZGP-UHFFFAOYSA-K,,,,,,,,,,,
100.003.489,203-837-1,111-13-7,Octan-2-one,octan-2-one,CCCCCCC(=O)C,CCCCCCC(=O)C,"InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3",C8H16O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17424,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.489,ZPVFWPFBNIEHGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.492,203-840-8,111-16-0,Pimelic acid,pimelic acid,OC(=O)CCCCCC(=O)O,OC(=O)CCCCCC(=O)O,"InChI=1/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)",C7H12O4,,,,,,WLJVNTCWHIRURA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.494,203-842-9,111-18-2,"N,N,N',N'-tetramethylhexamethylenediamine","N,N,N',N'-tetramethylhexane-1,6-diamine",CN(C)CCCCCCN(C)C,CN(C)CCCCCCN(C)C,"InChI=1/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3",C10H24N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11920,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.494,TXXWBTOATXBWDR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.500,202-750-6,99-33-2,"3,5-dinitrobenzoyl chloride","3,5-dinitrobenzoyl chloride",[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,InChI=1/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,C7H3ClN2O5,,,,,,NNOHXABAQAGKRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.502,202-752-7,99-35-4,"1,3,5-trinitrobenzene","1,3,5-trinitrobenzene",[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,C6H3N3O6,,,,,,UATJOMSPNYCXIX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.514,202-765-8,99-55-8,5-nitro-o-toluidine,2-methyl-5-nitroaniline,Cc1ccc(cc1N)[N+](=O)[O-],Cc1ccc(cc1N)[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3",C7H8N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10372,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.514,DSBIJCMXAIKKKI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.520,202-772-6,99-61-6,3-nitrobenzaldehyde,3-nitrobenzaldehyde,[O-][N+](=O)c1cccc(C=O)c1,[O-][N+](=O)c1cccc(C=O)c1,InChI=1/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,C7H5NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6981,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.520,ZETIVVHRRQLWFW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.521,202-773-1,99-62-7,"1,3-diisopropylbenzene","1,3-diisopropylbenzene",CC(C)c1cccc(c1)C(C)C,CC(C)c1cccc(c1)C(C)C,"InChI=1/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3",C12H18,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10411,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.521,UNEATYXSUBPPKP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.524,202-776-8,99-65-0,"1,3-dinitrobenzene","1,3-dinitrobenzene",[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],InChI=1/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,C6H4N2O4,,,,,,WDCYWAQPCXBPJA-UHFFFAOYSA-N,Negative,,,,,,UA003905,[M]-,CID35,138.0196,UFZ_Additional_Specs
100.002.525,202-777-3,99-66-1,2-propylvaleric acid,2-propylpentanoic acid,CCCC(CCC)C(=O)O,CCCC(CCC)C(=O)O,"InChI=1/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",C8H16O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7482,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.525,NIJJYAXOARWZEE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.531,202-784-1,99-75-2,Methyl p-toluate,methyl 4-methylbenzoate,COC(=O)c1ccc(C)cc1,COC(=O)c1ccc(C)cc1,"InChI=1/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3",C9H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5309,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.531,QSSJZLPUHJDYKF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.532,202-785-7,99-76-3,Methyl 4-hydroxybenzoate,methyl 4-hydroxybenzoate,COC(=O)c1ccc(O)cc1,COC(=O)c1ccc(O)cc1,"InChI=1/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",C8H8O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14310,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.532,LXCFILQKKLGQFO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.533,202-786-2,99-77-4,Ethyl 4-nitrobenzoate,ethyl 4-nitrobenzoate,CCOC(=O)c1ccc(cc1)[N+](=O)[O-],CCOC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3",C9H9NO4,,,,,,PHWSCBWNPZDYRI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.551,202-805-4,99-97-8,"N,N-dimethyl-p-toluidine","N,N,4-trimethylaniline",CN(C)c1ccc(C)cc1,CN(C)c1ccc(C)cc1,"InChI=1/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3",C9H13N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8746,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.551,GYVGXEWAOAAJEU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.553,202-808-0,99-99-0,4-nitrotoluene,1-methyl-4-nitrobenzene,Cc1ccc(cc1)[N+](=O)[O-],Cc1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3",C7H7NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13893,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.553,ZPTVNYMJQHSSEA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.554,202-809-6,100-00-5,1-chloro-4-nitrobenzene,1-chloro-4-nitrobenzene,[O-][N+](=O)c1ccc(Cl)cc1,[O-][N+](=O)c1ccc(Cl)cc1,InChI=1/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,C6H4ClNO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6227,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.554,CZGCEKJOLUNIFY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.555,202-810-1,100-01-6,4-nitroaniline,4-nitroaniline,Nc1ccc(cc1)[N+](=O)[O-],Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2",C6H6N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5825,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.555,TYMLOMAKGOJONV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.556,202-811-7,100-02-7,4-nitrophenol,4-nitrophenol,Oc1ccc(cc1)[N+](=O)[O-],Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H",C6H5NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13676,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.556,BTJIUGUIPKRLHP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.564,202-820-6,100-11-8,a-bromo-4-nitrotoluene,1-(bromomethyl)-4-nitrobenzene,[O-][N+](=O)c1ccc(CBr)cc1,[O-][N+](=O)c1ccc(CBr)cc1,"InChI=1/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2",C7H6BrNO2,,,,,,VOLRSQPSJGXRNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.568,202-824-8,100-16-3,4-nitrophenylhydrazine,(4-nitrophenyl)hydrazine,NNc1ccc(cc1)[N+](=O)[O-],NNc1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2",C6H7N3O2,,,,,,KMVPXBDOWDXXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.570,202-826-9,100-18-5,"1,4-diisopropylbenzene","1,4-diisopropylbenzene",CC(C)c1ccc(cc1)C(C)C,CC(C)c1ccc(cc1)C(C)C,"InChI=1/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3",C12H18,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15776,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.570,SPPWGCYEYAMHDT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.714,200-785-1,72-56-0,"1,1-dichloro-2,2-bis(4-ethylphenyl)ethane","1,1'-(2,2-dichloroethane-1,1-diyl)bis(4-ethylbenzene)",CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2,CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2,"InChI=1/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3",C18H20Cl2,,,,,,QFMDFTQOJHFVNR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.718,200-789-3,72-80-0,Chlorquinaldol,"5,7-dichloro-2-methylquinolin-8-ol",Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,"InChI=1/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",C10H7Cl2NO,,,,,,GPTXWRGISTZRIO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.719,200-790-9,72-89-9,S-acetylcoenzyme A,"S-{17-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} ethanethioate (non-preferred name)",CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23,CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23,"InChI=1/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)",C23H38N7O17P3S,,,,,,ZSLZBFCDCINBPY-ZSJPKINUSA-N,,,,,,,,,,,
100.000.724,200-796-1,73-24-5,Adenine,adenine,Nc1ncnc2[nH]cnc12,Nc1ncnc2[nH]cnc12,"InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",C5H5N5,,,,,,GFFGJBXGBJISGV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.727,200-799-8,73-40-5,Guanine,guanine,NC1=Nc2[nH]cnc2C(=O)N1,NC1=Nc2[nH]cnc2C(=O)N1,"InChI=1/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",C5H5N5O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17941,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.727,UYTPUPDQBNUYGX-UHFFFAOYSA-N,Positive/Negative,ML004301,[M+H]+,HCD50,152.0562:135.0298:110.0346,MetaboLights,ML004351,[M-H]-,HCD50,150.042:133.0156:108.0204,MetaboLights
100.000.732,200-804-3,73-89-2,2-(phosphonooxy)acrylate,2-(phosphonooxy)acrylate,OP(=O)(O)OC(=C)C(=O)[O-],OP(=O)(O)OC(=C)C(=O)[O-],"InChI=1/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)/p-1",C3H4O6P,,,,,,DTBNBXWJWCWCIK-UHFFFAOYSA-M,,,,,,,,,,,
100.000.738,200-811-1,74-79-3,Arginine,arginine,NC(CCCNC(=N)N)C(=O)O,NC(CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C6H14N4O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13725,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.738,ODKSFYDXXFIFQN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.742,200-815-3,74-85-1,Ethylene,ethylene,C=C,C=C,InChI=1/C2H4/c1-2/h1-2H2,C2H4,Full,Joint,10000000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16094,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.742,VGGSQFUCUMXWEO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.743,200-816-9,74-86-2,Acetylene,acetylene,C#C,C#C,InChI=1/C2H2/c1-2/h1-2H,C2H2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15518,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.743,HSFWRNGVRCDJHI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.746,200-820-0,74-89-5,Methylamine,methanamine,CN,CN,"InChI=1/CH5N/c1-2/h2H2,1H3",CH5N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15017,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.746,BAVYZALUXZFZLV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.751,200-825-8,74-96-4,Bromoethane,bromoethane,CCBr,CCBr,"InChI=1/C2H5Br/c1-2-3/h2H2,1H3",C2H5Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11503,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.751,RDHPKYGYEGBMSE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.753,200-827-9,74-98-6,Propane,propane,CCC,CCC,"InChI=1/C3H8/c1-3-2/h3H2,1-2H3",C3H8,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15445,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.753,ATUOYWHBWRKTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.755,200-830-5,75-00-3,Chloroethane,chloroethane,CCCl,CCCl,"InChI=1/C2H5Cl/c1-2-3/h2H2,1H3",C2H5Cl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14127,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.755,HRYZWHHZPQKTII-UHFFFAOYSA-N,,,,,,,,,,,
100.000.763,200-838-9,75-09-2,Dichloromethane,dichloromethane,ClCCl,ClCCl,InChI=1/CH2Cl2/c2-1-3/h1H2,CH2Cl2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15182,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.763,YMWUJEATGCHHMB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.764,200-839-4,75-10-5,Difluoromethane,difluoromethane,FCF,FCF,InChI=1/CH2F2/c2-1-3/h1H2,CH2F2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15279,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.764,RWRIWBAIICGTTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.766,200-842-0,75-12-7,Formamide,formamide,NC=O,NC=O,"InChI=1/CH3NO/c2-1-3/h1H,(H2,2,3)",CH3NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14929,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.766,ZHNUHDYFZUAESO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.768,200-844-1,75-16-1,Methylmagnesium bromide,methylmagnesium(1+) bromide,[Br-].C[Mg+],[Br-].C[Mg+],InChI=1/CH3.BrH.Mg/h1H3;1H;/q;;+1/p-1/rCH3Mg.BrH/c1-2;/h1H3;1H/q+1;/p-1,CH3BrMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17629,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.768,AVFUHBJCUUTGCD-UHFFFAOYSA-M,,,,,,,,,,,
100.000.775,200-852-5,75-23-0,Ethylamine--boron trifluoride,-,CCNB(F)(F)F,CCNB(F)(F)F,"InChI=1/C2H6BF3N/c1-2-7-3(4,5)6/h7H,2H2,1H3",C2H7BF3N,,,,,,RXVOLIRPZMDKJC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.776,200-853-0,75-24-1,Trimethylaluminium,trimethylaluminum,C[Al](C)C,C[Al](C)C,InChI=1/3CH3.Al/h3*1H3;/rC3H9Al/c1-4(2)3/h1-3H3,C3H9Al,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11385,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.776,JLTRXTDYQLMHGR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.777,200-854-6,75-25-2,Bromoform,bromoform,BrC(Br)Br,BrC(Br)Br,InChI=1/CHBr3/c2-1(3)4/h1H,CHBr3,,,,,,DIKBFYAXUHHXCS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.780,200-857-2,75-28-5,Isobutane,isobutane,CC(C)C,CC(C)C,"InChI=1/C4H10/c1-4(2)3/h4H,1-3H3",C4H10,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15456,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.780,NNPPMTNAJDCUHE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.781,200-858-8,75-29-6,2-chloropropane,2-chloropropane,CC(C)Cl,CC(C)Cl,"InChI=1/C3H7Cl/c1-3(2)4/h3H,1-2H3",C3H7Cl,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15853,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.781,ULYZAYCEDJDHCC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.476,203-823-5,110-99-6,Oxydi(acetic acid),"2,2'-oxydiacetic acid",OC(=O)COCC(=O)O,OC(=O)COCC(=O)O,"InChI=1/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",C4H6O5,,,,,,QEVGZEDELICMKH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.477,203-824-0,111-00-2,Suxethonium bromide,"2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N-ethyl-N,N-dimethylethanaminium) dibromide",[Br-].[Br-].CC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CC,[Br-].[Br-].CC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CC,"InChI=1/C16H34N2O4.2BrH/c1-7-17(3,4)11-13-21-15(19)9-10-16(20)22-14-12-18(5,6)8-2;;/h7-14H2,1-6H3;2*1H/q+2;;/p-2",C16H34N2O4.2Br,,,,,,KTZFEWDRQPCZAP-UHFFFAOYSA-L,,,,,,,,,,,
100.003.480,203-827-7,111-03-5,"2,3-dihydroxypropyl oleate","2,3-dihydroxypropyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3",C21H40O4,,,,,,RZRNAYUHWVFMIP-KTKRTIGZSA-N,,,,,,,,,,,
100.003.482,203-829-8,111-06-8,Butyl palmitate,butyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3",C20H40O2,,,,,,GLYJVQDYLFAUFC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.484,203-831-9,111-08-0,(Z)-N-(3-aminopropyl)-9-octadecenamide,N-(3-aminopropyl)octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCN,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCN,"InChI=1/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22/h9-10H,2-8,11-20,22H2,1H3,(H,23,24)",C21H42N2O,,,,,,ZHNIMKDTJODGTK-KTKRTIGZSA-N,,,,,,,,,,,
100.003.495,203-843-4,111-19-3,Sebacoyl dichloride,decanedioyl dichloride,ClC(=O)CCCCCCCCC(=O)Cl,ClC(=O)CCCCCCCCC(=O)Cl,InChI=1/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2,C10H16Cl2O2,,,,,,WMPOZLHMGVKUEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.496,203-845-5,111-20-6,Sebacic acid,sebacic acid,OC(=O)CCCCCCCCC(=O)O,OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)",C10H18O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15318,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.496,CXMXRPHRNRROMY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.505,202-755-3,99-42-3,Methyl 4-hydroxy-3-nitrobenzoate,methyl 4-hydroxy-3-nitrobenzoate,COC(=O)c1ccc(O)c(c1)[N+](=O)[O-],COC(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3",C8H7NO5,,,,,,GNCWCTBHZCBXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.506,202-756-9,99-45-6,Adrenalone,"1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone",CNCC(=O)c1ccc(O)c(O)c1,CNCC(=O)c1ccc(O)c(O)c1,"InChI=1/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3",C9H11NO3,,,,,,PZMVOUYYNKPMSI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.508,202-759-5,99-49-0,"D-p-mentha-1(6),8-dien-2-one",5-isopropenyl-2-methylcyclohex-2-en-1-one,CC(=C)C1CC=C(C)C(=O)C1,CC(=C)C1CC=C(C)C(=O)C1,"InChI=1/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3",C10H14O,,,,,,ULDHMXUKGWMISQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.509,202-760-0,99-50-3,"3,4-dihydroxybenzoic acid","3,4-dihydroxybenzoic acid",OC(=O)c1ccc(O)c(O)c1,OC(=O)c1ccc(O)c(O)c1,"InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",C7H6O4,,,,,,YQUVCSBJEUQKSH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.510,202-761-6,99-51-4,4-nitro-o-xylene,"1,2-dimethyl-4-nitrobenzene",Cc1ccc(cc1C)[N+](=O)[O-],Cc1ccc(cc1C)[N+](=O)[O-],"InChI=1/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3",C8H9NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11082,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.510,HFZKOYWDLDYELC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.515,202-766-3,99-56-9,4-nitro-o-phenylenediamine,"4-nitrobenzene-1,2-diamine",Nc1ccc(cc1N)[N+](=O)[O-],Nc1ccc(cc1N)[N+](=O)[O-],"InChI=1/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2",C6H7N3O2,,,,,,RAUWPNXIALNKQM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.523,202-775-2,99-64-9,3-dimethylaminobenzoic acid,3-(dimethylamino)benzoic acid,CN(C)c1cccc(c1)C(=O)O,CN(C)c1cccc(c1)C(=O)O,"InChI=1/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)",C9H11NO2,,,,,,NEGFNJRAUMCZMY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.530,202-783-6,99-73-0,"2,4'-dibromoacetophenone",2-bromo-1-(4-bromophenyl)ethanone,BrCC(=O)c1ccc(Br)cc1,BrCC(=O)c1ccc(Br)cc1,"InChI=1/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",C8H6Br2O,,,,,,FKJSFKCZZIXQIP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.535,202-788-3,99-80-9,"N-methyl-N,4-dinitrosoaniline","N-methyl-N,4-dinitrosoaniline",CN(N=O)c1ccc(cc1)N=O,CN(N=O)c1ccc(cc1)N=O,"InChI=1/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3",C7H7N3O2,,,,,,FMGUJLASXUBMOP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.536,202-789-9,99-81-0,2-bromo-4'-nitroacetophenone,2-bromo-1-(4-nitrophenyl)ethanone,[O-][N+](=O)c1ccc(cc1)C(=O)CBr,[O-][N+](=O)c1ccc(cc1)C(=O)CBr,"InChI=1/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2",C8H6BrNO3,,,,,,MBUPVGIGAMCMBT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.538,202-792-5,99-83-2,"p-mentha-1,5-diene","5-isopropyl-2-methylcyclohexa-1,3-diene",CC(C)C1CC=C(C)C=C1,CC(C)C1CC=C(C)C=C1,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",C10H16,,,,,,OGLDWXZKYODSOB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.115,205-625-4,144-35-4,"3,9-diphenoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane","3,9-diphenoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",C1OP(Oc2ccccc2)OCC13COP(Oc4ccccc4)OC3,C1OP(Oc2ccccc2)OCC13COP(Oc4ccccc4)OC3,"InChI=1/C17H18O6P2/c1-3-7-15(8-4-1)22-24-18-11-17(12-19-24)13-20-25(21-14-17)23-16-9-5-2-6-10-16/h1-10H,11-14H2",C17H18O6P2,,,,,,SDCYWERHEYVPHL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.119,205-630-1,144-48-9,2-iodoacetamide,2-iodoacetamide,NC(=O)CI,NC(=O)CI,"InChI=1/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)",C2H4INO,,,,,,PGLTVOMIXTUURA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.120,205-631-7,144-49-0,Fluoroacetic acid,acetyl fluoride,CC(F)=O,CC(F)=O,InChI=1/C2H3FO/c1-2(3)4/h1H3,C2H3FO2,,,,,,JUCMRTZQCZRJDC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.130,205-642-7,144-83-2,Sulfapyridine,4-amino-N-pyridin-2-ylbenzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,"InChI=1/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",C11H11N3O2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6136,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.130,GECHUMIMRBOMGK-UHFFFAOYSA-N,Positive,mzcloud:1143,[M+H]+,HCD_Averaged,53.0386:65.0386:67.04165:78.0338:80.04947:92.04949:95.06038:96.04439:108.0444:110.0600:156.01137:167.06038:184.0869,HighChem,,,,,
100.005.133,205-645-3,144-98-9,Allo-DL-threonine,threonine,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O,"InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)",C4H9NO3,,,,,,AYFVYJQAPQTCCC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.139,205-652-1,145-41-5,Sodium dehydrocholate,"sodium 3,7,12-trioxocholan-24-oate",[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O,[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O,"InChI=1/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1",C24H34O5.Na,,,,,,FKJIJBSJQSMPTI-CAOXKPNISA-M,,,,,,,,,,,
100.005.140,205-653-7,145-42-6,Sodium N-choloyltaurinate,"sodium 2-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]ethanesulfonate",[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1",C26H45NO7S.Na,,,,,,JAJWGJBVLPIOOH-IZYKLYLVSA-M,,,,,,,,,,,
100.005.143,205-656-3,145-50-6,4-(a-(4-hydroxy-1-naphthyl)benzylidene)naphthalen-1(4H)-one,4-[(4-hydroxy-1-naphthyl)(phenyl)methylene]naphthalen-1(4H)-one,Oc2ccc(c1ccccc12)C(c3ccccc3)=C5\\C=C/C(=O)c4ccccc45,Oc2ccc(c1ccccc12)C(c3ccccc3)=C5\C=C/C(=O)c4ccccc45,"InChI=1/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H",C27H18O2,,,,,,VDDWRTZCUJCDJM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.144,205-657-9,145-54-0,Propyromazine bromide,1-methyl-1-[1-methyl-2-oxo-2-(10H-phenothiazin-10-yl)ethyl]pyrrolidinium bromide,[Br-].CC(C(=O)N1c2ccccc2Sc3ccccc13)[N+]4(C)CCCC4,[Br-].CC(C(=O)N1c2ccccc2Sc3ccccc13)[N+]4(C)CCCC4,"InChI=1/C20H23N2OS.BrH/c1-15(22(2)13-7-8-14-22)20(23)21-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)21;/h3-6,9-12,15H,7-8,13-14H2,1-2H3;1H/q+1;/p-1",C20H23N2OS.Br,,,,,,OANVFVBYPNXRLD-UHFFFAOYSA-M,,,,,,,,,,,
100.005.146,205-660-5,145-73-3,Endothal,"7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid",OC(=O)C1C2CCC(O2)C1C(=O)O,OC(=O)C1C2CCC(O2)C1C(=O)O,"InChI=1/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)",C8H10O5,,,,,,GXEKYRXVRROBEV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.149,205-663-1,146-14-5,Flavin-adenine dinucleotide,-,Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)c2cc1C,Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)c2cc1C,"InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)",C27H33N9O15P2,,,,,,VWWQXMAJTJZDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.150,205-664-7,146-17-8,Riboflavin 5'-(dihydrogen phosphate),"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,"InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)",C17H21N4O9P,,,,,,FVTCRASFADXXNN-SCRDCRAPSA-N,,,,,,,,,,,
100.005.151,205-665-2,146-22-5,Nitrazepam,"7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,"InChI=1/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)",C15H11N3O3,,,,,,KJONHKAYOJNZEC-UHFFFAOYSA-N,Positive/Negative,AU153506;EQ368301|EQ368302|EQ368303|EQ368304|EQ368305|EQ368306|EQ368307|EQ368308|EQ368309,[M+H]+;[M+H]+,CIDRAMP 21.0-31.4;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,282.0883:268.0854:236.0947;282.0872|282.0872:236.0944:268.0843|236.0944:282.0872:268.0843|236.0944:180.0807:207.0917|180.0807:207.0917:236.0944|180.0807:207.0917:190.0651|152.0621:180.0807:190.0651|152.062:163.0542:169.0648|152.062:169.0648:150.0464,Athens_Univ;Eawag,EQ368351|EQ368352|EQ368353|EQ368354|EQ368355|EQ368356|EQ368357|EQ368358|EQ368359,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,280.0727:252.0542:253.0618|252.054:280.0728:253.0619|252.054:222.0561:253.0618|252.0541:222.0561:194.0611|194.0612:222.0562:166.0663|166.0662:194.0612:222.0561|166.0663:101.0396:115.0554|101.0396:115.0554:90.0349|101.0396:50.0036:115.0554,Eawag
100.005.163,205-678-3,146-77-0,2-chloroadenosinehemihydrate,2-chloro-9-pentofuranosyl-9H-purin-6-amine,Nc1nc(Cl)nc2c1ncn2C3OC(CO)C(O)C3O,Nc1nc(Cl)nc2c1ncn2C3OC(CO)C(O)C3O,"InChI=1/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)",C10H12ClN5O4,,,,,,BIXYYZIIJIXVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.579,202-836-3,100-28-7,4-nitrophenyl isocyanate,1-isocyanato-4-nitrobenzene,[O-][N+](=O)c1ccc(cc1)N=C=O,[O-][N+](=O)c1ccc(cc1)N=C=O,InChI=1/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H,C7H4N2O3,,,,,,GFNKTLQTQSALEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.586,202-844-7,100-36-7,2-aminoethyldiethylamine,"N,N-diethylethane-1,2-diamine",CCN(CC)CCN,CCN(CC)CCN,"InChI=1/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3",C6H16N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11713,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.586,UDGSVBYJWHOHNN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.589,202-847-3,100-39-0,a-bromotoluene,(bromomethyl)benzene,BrCc1ccccc1,BrCc1ccccc1,"InChI=1/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7Br,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6720,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.589,AGEZXYOZHKGVCM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.590,202-848-9,100-40-3,4-vinylcyclohexene,4-vinylcyclohexene,C=CC1CCC=CC1,C=CC1CCC=CC1,"InChI=1/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2",C8H12,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12340,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.590,BBDKZWKEPDTENS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.595,202-854-1,100-46-9,Benzylamine,1-phenylmethanamine,NCc1ccccc1,NCc1ccccc1,"InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2",C7H9N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5667,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.595,WGQKYBSKWIADBV-UHFFFAOYSA-N,Positive,SM808401,[M+H]+,HCD35,108.0807:91.0542:67.0543,CASMI_2016,,,,,
100.002.599,202-858-3,100-50-5,Cyclohex-3-ene-1-carbaldehyde,cyclohex-3-ene-1-carbaldehyde,O=CC1CCC=CC1,O=CC1CCC=CC1,"InChI=1/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2",C7H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17258,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.599,DCFDVJPDXYGCOK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.604,202-864-6,100-55-0,3-pyridylmethanol,pyridin-3-ylmethanol,OCc1cccnc1,OCc1cccnc1,"InChI=1/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",C6H7NO,,,,,,MVQVNTPHUGQQHK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.605,202-865-1,100-56-1,Phenylmercury chloride,phenylmercury(1+) chloride,[Cl-].[Hg+]c1ccccc1,[Cl-].[Hg+]c1ccccc1,InChI=1/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1/rC6H5Hg.ClH/c7-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1,C6H5ClHg,,,,,,AWGTVRDHKJQFAX-UHFFFAOYSA-M,,,,,,,,,,,
100.002.611,202-871-4,100-62-9,N-methyleneaniline,N-methyleneaniline,C=Nc1ccccc1,C=Nc1ccccc1,"InChI=1/C7H7N/c1-8-7-5-3-2-4-6-7/h2-6H,1H2",C7H7N,,,,,,VULHYRAYXYTONQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.613,202-874-0,100-64-1,Cyclohexanone oxime,cyclohexanone oxime,ON=C1CCCCC1,ON=C1CCCCC1,"InChI=1/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2",C6H11NO,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7659,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.613,VEZUQRBDRNJBJY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.616,202-877-7,100-67-4,Potassium phenolate,potassium phenolate,[K+].[O-]c1ccccc1,[K+].[O-]c1ccccc1,"InChI=1/C6H6O.K/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1",C6H6O.K,,,,,,ZGJADVGJIVEEGF-UHFFFAOYSA-M,,,,,,,,,,,
100.002.617,202-878-2,100-68-5,Methyl phenyl sulphide,(methylsulfanyl)benzene,CSc1ccccc1,CSc1ccccc1,"InChI=1/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",C7H8S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12381,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.617,HNKJADCVZUBCPG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.620,202-881-9,100-71-0,2-ethylpyridine,2-ethylpyridine,CCc1ccccn1,CCc1ccccn1,"InChI=1/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3",C7H9N,,,,,,NRGGMCIBEHEAIL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.627,202-889-2,100-80-1,3-methylstyrene,1-methyl-3-vinylbenzene,Cc1cccc(C=C)c1,Cc1cccc(C=C)c1,"InChI=1/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3",C9H10,,,,,,JZHGRUMIRATHIU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.631,202-893-4,100-84-5,3-methylanisole,1-methoxy-3-methylbenzene,COc1cccc(C)c1,COc1cccc(C)c1,"InChI=1/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3",C8H10O,,,,,,OSIGJGFTADMDOB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.633,202-896-0,100-86-7,2-methyl-1-phenylpropan-2-ol,2-methyl-1-phenylpropan-2-ol,CC(C)(O)Cc1ccccc1,CC(C)(O)Cc1ccccc1,"InChI=1/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3",C10H14O,,,,,,RIWRBSMFKVOJMN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.641,202-904-2,100-95-8,Benzyl[2-(dodecylamino)-2-oxoethyl]dimethylammonium chloride,"N-benzyl-2-(dodecylamino)-N,N-dimethyl-2-oxoethanaminium chloride",[Cl-].CCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccccc1,"InChI=1/C23H40N2O.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-24-23(26)21-25(2,3)20-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H",C23H41N2O.Cl,,,,,,COLOBWZNRYGBRU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.652,202-916-8,101-11-1,a-N-ethylanilinotoluene-3-sulphonic acid,3-{[ethyl(phenyl)amino]methyl}benzenesulfonic acid,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccccc2,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccccc2,"InChI=1/C15H17NO3S/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)",C15H17NO3S,,,,,,BQGRVFPPZJPWPB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.661,202-926-2,101-23-5,N-phenyl-3-(trifluoromethyl)aniline,N-phenyl-3-(trifluoromethyl)aniline,FC(F)(F)c1cccc(Nc2ccccc2)c1,FC(F)(F)c1cccc(Nc2ccccc2)c1,"InChI=1/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H",C13H10F3N,,,,,,WJCRAVDPIMWFPG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.662,202-927-8,101-24-6,"3,3'-dinitrobenzanilide",3-nitro-N-(3-nitrophenyl)benzamide,[O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)[N+](=O)[O-])c1,[O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)[N+](=O)[O-])c1,"InChI=1/C13H9N3O5/c17-13(9-3-1-5-11(7-9)15(18)19)14-10-4-2-6-12(8-10)16(20)21/h1-8H,(H,14,17)",C13H9N3O5,,,,,,IGYJMXLXTJJVRS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.517,200-568-1,63-91-2,3-phenyl-L-alanine,phenylalanine,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",C9H11NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16991,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.517,COLNVLDHVKWLRT-QMMMGPOBSA-N,,,,,,,,,,,
100.000.519,200-570-2,63-98-9,Phenacemide,N-carbamoyl-2-phenylacetamide,NC(=O)NC(=O)Cc1ccccc1,NC(=O)NC(=O)Cc1ccccc1,"InChI=1/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)",C9H10N2O2,,,,,,XPFRXWCVYUEORT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.528,200-580-7,64-19-7,Acetic acid,acetic acid,CC(=O)O,CC(=O)O,"InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",C2H4O2,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15549,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.528,QTBSBXVTEAMEQO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.533,200-585-4,64-47-1,Physostigmine sulphate,"1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate sulfate",CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OS(=O)(=O)O,CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OS(=O)(=O)O,"InChI=1/C15H21N3O2.H2O4S/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)",C15H21N3O2.1/2H2O4S,,,,,,LLIODTIILSCNOH-PBCQUBLHSA-N,,,,,,,,,,,
100.000.539,200-592-2,64-73-3,Demeclocycline hydrochloride,"7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride",Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,"InChI=1/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H",C21H21ClN2O8.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11146,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.539,GVSJQNRGSCOSNJ-KBHRXELFSA-N,,,,,,,,,,,
100.000.541,200-594-3,64-77-7,Tolbutamide,N-(butylcarbamoyl)-4-methylbenzenesulfonamide,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,"InChI=1/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",C12H18N2O3S,,,,,,JLRGJRBPOGGCBT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.543,200-596-4,64-85-7,Desoxycortone,"21-hydroxypregn-4-ene-3,20-dione",OCC(=O)[C@H]2CC[C@H]3[C@@H]4CC\\C1=C\\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,OCC(=O)[C@H]2CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,"InChI=1/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3",C21H30O3,,,,,,ZESRJSPZRDMNHY-YFWFAHHUSA-N,,,,,,,,,,,
100.000.544,200-598-5,64-86-8,Colchicine,"N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide",COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,"InChI=1/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)",C22H25NO6,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1277,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.544,IAKHMKGGTNLKSZ-INIZCTEOSA-N,Positive,AU117102|AU117103|AU117104|AU117105,[M+H]+,CID20|CID30|CID40|CID50,400.1679:401.1714:358.1585|400.1685:358.1578:310.1093|282.115:310.1089:295.0865|267.092:283.0867:311.0853,Athens_Univ,,,,,
100.000.545,200-599-0,64-95-9,Adiphenine,2-(diethylamino)ethyl diphenylacetate,CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2,CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3",C20H25NO2,,,,,,JGOAIQNSOGZNBX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.547,200-602-5,65-22-5,Pyridoxal hydrochloride,3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride,Cl.Cc1ncc(CO)c(C=O)c1O,Cl.Cc1ncc(CO)c(C=O)c1O,"InChI=1/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H",C8H9NO3.ClH,,,,,,FCHXJFJNDJXENQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.551,200-606-7,65-30-5,Nicotine sulphate,3-(1-methylpyrrolidin-2-yl)pyridine sulfate,CN1CCC[C@H]1c2cccnc2.OS(=O)(=O)O,CN1CCC[C@H]1c2cccnc2.OS(=O)(=O)O,"InChI=1/C10H14N2.H2O4S/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-5(2,3)4/h2,4,6,8,10H,3,5,7H2,1H3;(H2,1,2,3,4)",C10H14N2.1/2H2O4S,,,,,,YHRJAJWWHFGBMV-PPHPATTJSA-N,,,,,,,,,,,
100.000.552,200-607-2,65-31-6,Nicotine dihydrogen ditartrate,"3-(1-methylpyrrolidin-2-yl)pyridine 2,3-dihydroxysuccinate (salt)",CN1CCCC1c2cccnc2.OC(C(O)C(=O)O)C(=O)O,CN1CCCC1c2cccnc2.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C10H14N2.2C4H6O6,,,,,,QLDPCHZQQIASHX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.555,200-610-9,65-46-3,Cytidine,cytidine,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,"InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)",C9H13N3O5,,,,,,UHDGCWIWMRVCDJ-XVFCMESISA-N,,,,,,,,,,,
100.002.543,202-797-2,99-88-7,4-isopropylaniline,4-isopropylaniline,CC(C)c1ccc(N)cc1,CC(C)c1ccc(N)cc1,"InChI=1/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3",C9H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10013,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.543,LRTFPLFDLJYEKT-UHFFFAOYSA-N,Positive,SM882201;EA005201|EA005202|EA005203|EA005204|EA005205|EA005206|EA005207|EA005208|EA005209|EA005210|EA005211|EA005212|EA005213|EA005214;UF414501|UF414502|UF414503|UF414504,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,136.112:94.0651:91.0542;136.112:94.065|136.112:94.0653|136.1119:94.0651|136.1119:94.065:147.092|136.1121:94.0651:91.0542|136.112:94.065:91.0541|94.065:91.0541:136.1119|136.1119:94.0649|136.112:94.065|136.112:94.065:147.0914|136.112:94.0651:91.0541|136.1119:94.065:91.0541|94.065:91.0541:136.1119|136.112:94.0651:121.0884;136.1126:94.0655:91.0546|94.0654:136.1127:91.0546|136.1126:94.0655:121.0892|94.0654:121.0891:105.0338,CASMI_2016;Eawag;UFZ,,,,,
100.002.544,202-798-8,99-89-8,p-isopropylphenol,4-isopropylphenol,CC(C)c1ccc(O)cc1,CC(C)c1ccc(O)cc1,"InChI=1/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",C9H12O,,,,,,YQUQWHNMBPIWGK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.546,202-800-7,99-91-2,4'-chloroacetophenone,1-(4-chlorophenyl)ethanone,CC(=O)c1ccc(Cl)cc1,CC(=O)c1ccc(Cl)cc1,"InChI=1/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",C8H7ClO,,,,,,BUZYGTVTZYSBCU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.548,202-802-8,99-93-4,4'-hydroxyacetophenone,1-(4-hydroxyphenyl)ethanone,CC(=O)c1ccc(O)cc1,CC(=O)c1ccc(O)cc1,"InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",C8H8O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11354,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.548,TXFPEBPIARQUIG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.550,202-804-9,99-96-7,4-hydroxybenzoic acid,4-hydroxybenzoic acid,OC(=O)c1ccc(O)cc1,OC(=O)c1ccc(O)cc1,"InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",C7H6O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15944,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.550,FJKROLUGYXJWQN-UHFFFAOYSA-N,Negative,,,,,,ML001751,[M-H]-,HCD50,137.0243:93.0345,MetaboLights
100.002.572,202-829-5,100-20-9,Terephthaloyl dichloride,terephthaloyl dichloride,ClC(=O)c1ccc(cc1)C(=O)Cl,ClC(=O)c1ccc(cc1)C(=O)Cl,InChI=1/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,C8H4Cl2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13172,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.572,LXEJRKJRKIFVNY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.576,202-833-7,100-25-4,"1,4-dinitrobenzene","1,4-dinitrobenzene",[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],InChI=1/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,C6H4N2O4,,,,,,FYFDQJRXFWGIBS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.577,202-834-2,100-26-5,"Pyridine-2,5-dicarboxylic acid","pyridine-2,5-dicarboxylic acid",OC(=O)c1ccc(nc1)C(=O)O,OC(=O)c1ccc(nc1)C(=O)O,"InChI=1/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)",C7H5NO4,,,,,,LVPMIMZXDYBCDF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.578,202-835-8,100-27-6,4-nitrophenethyl alcohol,2-(4-nitrophenyl)ethanol,OCCc1ccc(cc1)[N+](=O)[O-],OCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2",C8H9NO3,,,,,,IKMXRUOZUUKSON-UHFFFAOYSA-N,,,,,,,,,,,
100.002.580,202-837-9,100-29-8,4-nitrophenetole,1-ethoxy-4-nitrobenzene,CCOc1ccc(cc1)[N+](=O)[O-],CCOc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3",C8H9NO3,,,,,,NWPKEYHUZKMWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.581,202-838-4,100-31-2,"Stilbene-4,4'-dicarboxylic acid","4,4'-ethene-1,2-diyldibenzoic acid",OC(=O)c1ccc(\\C=C\\c2ccc(cc2)C(=O)O)cc1,OC(=O)c1ccc(\C=C\c2ccc(cc2)C(=O)O)cc1,"InChI=1/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)",C16H12O4,,,,,,SBBQDUFLZGOASY-OWOJBTEDSA-N,,,,,,,,,,,
100.002.583,202-841-0,100-33-4,Pentamidine,"4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide",NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1,NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1,"InChI=1/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)",C19H24N4O2,,,,,,XDRYMKDFEDOLFX-UHFFFAOYSA-N,Positive,mzcloud:2430,[M+H]+,HCD_Averaged,65.03858:120.0444:137.07094:324.1707:92.04948:95.0421:111.0440,HighChem,,,,,
100.002.587,202-845-2,100-37-8,2-diethylaminoethanol,2-(diethylamino)ethanol,CCN(CC)CCO,CCN(CC)CCO,"InChI=1/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3",C6H15NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2134,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.587,BFSVOASYOCHEOV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.588,202-846-8,100-38-9,2-(diethylamino)ethanethiol,2-(diethylamino)ethanethiol,CCN(CC)CCS,CCN(CC)CCS,"InChI=1/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3",C6H15NS,,,,,,YBDSNEVSFQMCTL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.591,202-849-4,100-41-4,Ethylbenzene,ethylbenzene,CCc1ccccc1,CCc1ccccc1,"InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8H10,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15377,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.591,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.592,202-851-5,100-42-5,Styrene,styrene,C=Cc1ccccc1,C=Cc1ccccc1,"InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",C8H8,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15565,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.592,PPBRXRYQALVLMV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.593,202-852-0,100-43-6,4-vinylpyridine,4-vinylpyridine,C=Cc1ccncc1,C=Cc1ccncc1,"InChI=1/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2",C7H7N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10126,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.593,KFDVPJUYSDEJTH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.596,202-855-7,100-47-0,Benzonitrile,benzonitrile,N#Cc1ccccc1,N#Cc1ccccc1,InChI=1/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H,C7H5N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14352,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.596,JFDZBHWFFUWGJE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.598,202-857-8,100-49-2,Cyclohexylmethanol,cyclohexylmethanol,OCC1CCCCC1,OCC1CCCCC1,"InChI=1/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2",C7H14O,,,,,,VSSAZBXXNIABDN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.600,202-859-9,100-51-6,Benzyl alcohol,phenylmethanol,OCc1ccccc1,OCc1ccccc1,"InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",C7H8O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14748,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.600,WVDDGKGOMKODPV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.606,202-866-7,100-57-2,Phenylmercury hydroxide,phenylmercury(1+) hydroxide,[OH-].[Hg+]c1ccccc1,[OH-].[Hg+]c1ccccc1,InChI=1/C6H5.Hg.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2/q;+1;/p-1/rC6H5Hg.H2O/c7-6-4-2-1-3-5-6;/h1-5H;1H2/q+1;/p-1,C6H6HgO,,,,,,NWDUDBMLUKJHGK-UHFFFAOYSA-M,,,,,,,,,,,
100.005.166,205-682-5,146-84-9,Silver picrate,"silver(1+) 2,4,6-trinitrophenolate",[Ag+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Ag+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O7.Ag/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;/q;+1/p-1",C6H3N3O7.Ag,,,,,,TYTYIUANSACAEM-UHFFFAOYSA-M,,,,,,,,,,,
100.005.169,205-685-1,147-14-8,"29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32 copper","[29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper",[Cu]1N2\\C\\3=N/C4=N\\C(=N/c5c6ccccc6c(\\N=C\\7/N=C(\\N=C/2\\c8ccccc38)c9ccccc79)n15)\\c%10ccccc4%10,[Cu]1N2\C\3=N/C4=N\C(=N/c5c6ccccc6c(\N=C\7/N=C(\N=C/2\c8ccccc38)c9ccccc79)n15)\c%10ccccc4%10,InChI=1/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2/rC32H16CuN8/c1-2-10-18-17(9-1)25-34-26(18)37-30-23-15-7-8-16-24(23)32-39-28-20-12-4-3-11-19(20)27(35-28)38-31-22-14-6-5-13-21(22)29(36-25)40(31)33-41(30)32/h1-16H,C32H16CuN8,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15491,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.169,XCJYREBRNVKWGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.174,205-690-9,147-52-4,Nafcillin,"6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O,CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O,"InChI=1/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)",C21H22N2O5S,,,,,,GPXLMGHLHQJAGZ-JTDSTZFVSA-N,,,,,,,,,,,
100.005.178,205-695-6,147-71-7,(-)-tartaric acid,tartaric acid,O[C@@H]([C@H](O)C(=O)O)C(=O)O,O[C@@H]([C@H](O)C(=O)O)C(=O)O,"InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",C4H6O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17277,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.178,FEWJPZIEWOKRBE-LWMBPPNESA-N,,,,,,,,,,,
100.005.183,205-700-1,147-82-0,"2,4,6-tribromoaniline","2,4,6-tribromoaniline",Nc1c(Br)cc(Br)cc1Br,Nc1c(Br)cc(Br)cc1Br,"InChI=1/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2",C6H4Br3N,,,,,,GVPODVKBTHCGFU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.185,205-702-2,147-85-3,L-proline,L-proline,OC(=O)[C@@H]1CCCN1,OC(=O)[C@@H]1CCCN1,"InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)",C5H9NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13104,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.185,ONIBWKKTOPOVIA-BYPYZUCNSA-N,,,,,,,,,,,
100.005.190,205-708-5,148-03-8,"3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol","2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)cc(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)cc(C)c2O1,"InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3",C28H48O2,,,,,,WGVKWNUPNGFDFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.194,205-712-7,148-25-4,"4,5-dihydroxynaphthalene-2,7-disulphonic acid","4,5-dihydroxynaphthalene-2,7-disulfonic acid",Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)",C10H8O8S2,,,,,,HLVXFWDLRHCZEI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.200,205-719-5,148-61-8,2-(ethylmercuriothio)benzoic acid,ethyl[2-(sulfanyl-kappaS)benzoato]mercury,CC[Hg]Sc1ccccc1C(=O)O,CC[Hg]Sc1ccccc1C(=O)O,"InChI=1/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1/rC9H10HgO2S/c1-2-10-13-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)",C9H9HgO2S.H,,,,,,HXQVQGWHFRNKMS-UHFFFAOYSA-M,,,,,,,,,,,
100.005.210,205-730-5,148-90-3,4-(diethylamino)benzenediazonium chloride,4-(diethylamino)benzenediazonium chloride,[Cl-].CCN(CC)c1ccc(cc1)[N+]#N,[Cl-].CCN(CC)c1ccc(cc1)[N+]#N,"InChI=1/C10H14N3.ClH/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;/h5-8H,3-4H2,1-2H3;1H/q+1;/p-1",C10H14N3.Cl,,,,,,YFCXTPKUVYRXFI-UHFFFAOYSA-M,,,,,,,,,,,
100.005.216,205-736-8,149-30-4,Benzothiazole-2-thiol,"1,3-benzothiazole-2-thiol",Sc1nc2ccccc2s1,Sc1nc2ccccc2s1,"InChI=1/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",C7H5NS2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13432,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.216,YXIWHUQXZSMYRE-UHFFFAOYSA-N,Positive/Negative,SM878502;EQ319001|EQ319002|EQ319003|EQ319004|EQ319005|EQ319006|EQ319007|EQ319008|EQ319009,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,167.9936:135.0137:124.0215;167.9935:136.0217:92.0495|167.9935:135.0136:92.0494|167.9935:135.0137:124.0216|167.9936:135.0137:124.0216|167.9936:135.0137:124.0216|135.0137:109.0107:124.0216|65.0386:135.0137:109.0107|65.0386:108.0028:68.9793|68.9794:65.0386:108.0028,CASMI_2016;Eawag,SM878551;EQ319051|EQ319052|EQ319053|EQ319054|EQ319055|EQ319056|EQ319057|EQ319058|EQ319059,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,165.9791:134.0069:164.9712;165.9791:134.007:57.9754|165.979:134.007:57.9755|165.9791:134.0071:57.9756|165.9791:134.007:57.9757|134.007:57.9757:165.9791|57.9757:134.0071:165.9791|57.9757:134.0071:63.9447|57.9757:134.0071:63.9447|57.9757:63.9447:134.0071,CASMI_2016;Eawag
100.005.219,205-739-4,149-44-0,Sodium hydroxymethanesulphinate,sodium hydroxymethanesulfinate,[Na+].OCS(=O)[O-],[Na+].OCS(=O)[O-],"InChI=1/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1",CH4O3S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14124,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.219,XWGJFPHUCFXLBL-UHFFFAOYSA-M,,,,,,,,,,,
100.005.224,205-745-7,149-73-5,Trimethyl orthoformate,trimethoxymethane,COC(OC)OC,COC(OC)OC,"InChI=1/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3",C4H10O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14129,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.224,PYOKUURKVVELLB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.225,205-746-2,149-74-6,Dichloro(methyl)(phenyl)silane,dichloro(methyl)phenylsilane,C[Si](Cl)(Cl)c1ccccc1,C[Si](Cl)(Cl)c1ccccc1,"InChI=1/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3",C7H8Cl2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13838,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.225,GNEPOXWQWFSSOU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.667,202-933-0,101-31-5,Hyoscyamine,8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3,"InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3",C17H23NO3,,,,,,RKUNBYITZUJHSG-FXUDXRNXSA-N,,,,,,,,,,,
100.002.669,202-935-1,101-34-8,"1,2,3-propanetriyl tris[(R)-12-(acetoxy)oleate]","propane-1,2,3-triyl tris(12-acetoxyoctadec-9-enoate)",CCCCCC[C@H](C\\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\\C=C/C[C@@H](CCCCCC)OC(=O)C)OC(=O)CCCCCCC\\C=C/C[C@@H](CCCCCC)OC(=O)C)OC(=O)C,CCCCCC[C@H](C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C[C@@H](CCCCCC)OC(=O)C)OC(=O)CCCCCCC\C=C/C[C@@H](CCCCCC)OC(=O)C)OC(=O)C,"InChI=1/C63H110O12/c1-7-10-13-34-43-57(72-54(4)64)46-37-28-22-16-19-25-31-40-49-61(67)70-52-60(75-63(69)51-42-33-27-21-18-24-30-39-48-59(74-56(6)66)45-36-15-12-9-3)53-71-62(68)50-41-32-26-20-17-23-29-38-47-58(73-55(5)65)44-35-14-11-8-2/h28-30,37-39,57-60H,7-27,31-36,40-53H2,1-6H3",C63H110O12,,,,,,RIXCYAQOGLLEIU-UINBUCCLSA-N,,,,,,,,,,,
100.002.672,202-938-8,101-39-3,a-methylcinnamaldehyde,2-methyl-3-phenylacrylaldehyde,C\\C(=C/c1ccccc1)\\C=O,C\C(=C/c1ccccc1)\C=O,"InChI=1/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3",C10H10O,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1188,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.672,VLUMOWNVWOXZAU-VQHVLOKHSA-N,,,,,,,,,,,
100.002.675,202-941-4,101-42-8,Fenuron,"1,1-dimethyl-3-phenylurea",CN(C)C(=O)Nc1ccccc1,CN(C)C(=O)Nc1ccccc1,"InChI=1/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)",C9H12N2O,,,,,,XXOYNJXVWVNOOJ-UHFFFAOYSA-N,Positive,SM842501;EQ311101|EQ311102|EQ311103|EQ311104|EQ311105|EQ311106;UF404501|UF404502|UF404503|UF404504,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD55|HCD80|CID35|CID55,72.0444:165.1023:120.0444;72.0442:165.102:120.0442|72.0443:165.102:120.0442|72.0443:165.102:120.0442|72.0443:120.0442:165.1021|72.0443:92.0493:120.0442|72.0443:92.0493:95.049;72.0442:165.1022:120.0443|72.0442:92.0494:120.0443|165.1019:72.0442:120.0442|72.0442:120.0442:165.1017,CASMI_2016;Eawag;UFZ,,,,,
100.002.679,202-946-1,101-49-5,"2-benzyl-1,3-dioxolane","2-benzyl-1,3-dioxolane",C(C1OCCO1)c2ccccc2,C(C1OCCO1)c2ccccc2,"InChI=1/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2",C10H12O2,,,,,,SSZACLYPEFCREM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.686,202-954-5,101-56-4,4-anilinobenzenediazonium chloride,4-anilinobenzenediazonium chloride,[Cl-].N#[N+]c1ccc(Nc2ccccc2)cc1,[Cl-].N#[N+]c1ccc(Nc2ccccc2)cc1,"InChI=1/C12H10N3.ClH/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;/h1-9,14H;1H/q+1;/p-1",C12H10N3.Cl,,,,,,GREMVPUSQUHWDU-UHFFFAOYSA-M,,,,,,,,,,,
100.002.691,202-959-2,101-61-1,"N,N,N',N'-tetramethyl-4,4'-methylenedianiline","4,4'-methylenebis(N,N-dimethylaniline)",CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1,CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1,"InChI=1/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3",C17H22N2,,,,,,JNRLEMMIVRBKJE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.694,202-962-9,101-64-4,N-(4-aminophenyl)-p-anisidine,"N-(4-methoxyphenyl)benzene-1,4-diamine",COc1ccc(Nc2ccc(N)cc2)cc1,COc1ccc(Nc2ccc(N)cc2)cc1,"InChI=1/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3",C13H14N2O,,,,,,RBLUJIWKMSZIMK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.705,202-974-4,101-77-9,"4,4'-methylenedianiline","4,4'-methylenedianiline",Nc1ccc(Cc2ccc(N)cc2)cc1,Nc1ccc(Cc2ccc(N)cc2)cc1,"InChI=1/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2",C13H14N2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15201,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.705,YBRVSVVVWCFQMG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.712,202-982-8,101-85-9,2-pentyl-3-phenylprop-2-en-1-ol,2-benzylideneheptan-1-ol,CCCCCC(CO)=Cc1ccccc1,CCCCCC(CO)=Cc1ccccc1,"InChI=1/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3",C14H20O,,,,,,LIPHCKNQPJXUQF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.717,202-988-0,101-91-7,4'-hydroxybutyranilide,N-(4-hydroxyphenyl)butanamide,CCCC(=O)Nc1ccc(O)cc1,CCCC(=O)Nc1ccc(O)cc1,"InChI=1/C10H13NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3,(H,11,13)",C10H13NO2,,,,,,KESXDDATSRRGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.719,202-990-1,101-94-0,p-tolyl phenylacetate,4-methylphenyl phenylacetate,Cc1ccc(OC(=O)Cc2ccccc2)cc1,Cc1ccc(OC(=O)Cc2ccccc2)cc1,"InChI=1/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3",C15H14O2,,,,,,OJEQSSJFSNLMLB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.724,202-995-9,101-99-5,Ethyl phenylcarbamate,ethyl phenylcarbamate,CCOC(=O)Nc1ccccc1,CCOC(=O)Nc1ccccc1,"InChI=1/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)",C9H11NO2,,,,,,LBKPGNUOUPTQKA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.727,202-999-0,102-03-4,1-acetyl-3-phenylurea,N-(phenylcarbamoyl)acetamide,CC(=O)NC(=O)Nc1ccccc1,CC(=O)NC(=O)Nc1ccccc1,"InChI=1/C9H10N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)",C9H10N2O2,,,,,,RUPVBKFFZNPEPS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.731,203-003-7,102-07-8,"1,3-diphenylurea","1,3-diphenylurea",O=C(Nc1ccccc1)Nc2ccccc2,O=C(Nc1ccccc1)Nc2ccccc2,"InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",C13H12N2O,,,,,,GWEHVDNNLFDJLR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.347,203-680-9,109-55-7,3-aminopropyldimethylamine,"N,N-dimethylpropane-1,3-diamine",CN(C)CCCN,CN(C)CCCN,"InChI=1/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3",C5H14N2,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14823,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.347,IUNMPGNGSSIWFP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.357,203-691-9,109-65-9,1-bromobutane,1-bromobutane,CCCCBr,CCCCBr,"InChI=1/C4H9Br/c1-2-3-4-5/h2-4H2,1H3",C4H9Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12474,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.357,MPPPKRYCTPRNTB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.556,200-611-4,65-47-4,Cytidine 5'-(tetrahydrogen triphosphate),4-amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]pyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O,"InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)",C9H16N3O14P3,,,,,,PCDQPRRSZKQHHS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.565,200-621-9,66-22-8,Uracil,uracil,O=C1NC=CC(=O)N1,O=C1NC=CC(=O)N1,"InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",C4H4N2O2,,,,,,ISAKRJDGNUQOIC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.576,200-633-4,66-77-3,1-naphthaldehyde,1-naphthaldehyde,O=Cc1cccc2ccccc12,O=Cc1cccc2ccccc12,InChI=1/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,C11H8O,,,,,,SQAINHDHICKHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.578,200-636-0,66-81-9,Cicloheximide,"4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione",C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2,C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2,"InChI=1/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)",C15H23NO4,,,,,,YPHMISFOHDHNIV-FSZOTQKASA-N,Positive/Negative,mzcloud:2623,[M+NH4]+;[M+H]+;[M-H2O+H]+,HCD_Averaged,264.15943:246.14887:265.1434:247.13285:91.05422:79.0542:95.04913:65.03858:105.06987:159.11684:187.11174:201.12736:219.1379:229.1223,HighChem,mzcloud:2623,[M-H]-,HCD_Averaged,58.02984:69.03459:98.06114:110.0248:125.0972:151.11283:154.05097:167.10775:177.12850:193.1234:236.16559:262.1449,HighChem
100.000.580,200-638-1,66-84-2,Glucosamine hydrochloride,2-amino-2-deoxy-beta-D-glucopyranose hydrochloride,Cl.N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,Cl.N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H",C6H13NO5.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11641,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.580,QKPLRMLTKYXDST-OCOFDJSDSA-N,,,,,,,,,,,
100.000.583,200-641-8,67-03-8,Thiamine hydrochloride,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride",Cl.[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,Cl.[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,"InChI=1/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1",C12H17N4OS.ClH.Cl,,,,,,DPJRMOMPQZCRJU-UHFFFAOYSA-M,,,,,,,,,,,
100.000.589,200-648-6,67-28-7,Nihydrazone,N'-[(5-nitro-2-furyl)methylene]acetohydrazide,O=[N+]([O-])c1ccc(C=NNC(C)=O)o1,O=[N+]([O-])c1ccc(C=NNC(C)=O)o1,"InChI=1/C7H7N3O4/c1-5(11)9-8-4-6-2-3-7(14-6)10(12)13/h2-4H,1H3,(H,9,11)",C7H7N3O4,,,,,,ACFHHZJOAUZSJU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.591,200-650-7,67-36-7,4-phenoxybenzaldehyde,4-phenoxybenzaldehyde,O=Cc1ccc(Oc2ccccc2)cc1,O=Cc1ccc(Oc2ccccc2)cc1,InChI=1/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H,C13H10O2,,,,,,QWLHJVDRPZNVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.596,200-655-4,67-48-1,Choline chloride,"2-hydroxy-N,N,N-trimethylethanaminium chloride",[Cl-].C[N+](C)(C)CCO,[Cl-].C[N+](C)(C)CCO,"InChI=1/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1",C5H14NO.Cl,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5360,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.596,SGMZJAMFUVOLNK-UHFFFAOYSA-M,,,,,,,,,,,
100.000.598,200-658-0,67-52-7,Barbituric acid,"pyrimidine-2,4,6(1H,3H,5H)-trione",O=C1CC(=O)NC(=O)N1,O=C1CC(=O)NC(=O)N1,"InChI=1/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)",C4H4N2O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6272,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.598,HNYOPLTXPVRDBG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.608,200-669-0,67-78-7,"Triamcinolone 16-a,21-di(acetate)","9-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate",CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(=O)C,CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(=O)C,"InChI=1/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3",C25H31FO8,,,,,,XGMPVBXKDAHORN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.611,200-672-7,67-96-9,Dihydrotachysterol,"9,10-secoergosta-5,7,22-trien-3-ol",O[C@@H]3CC(=CC=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)C=C[C@H](C)C(C)C)[C@@H](C)CC3,O[C@@H]3CC(=CC=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)C=C[C@H](C)C(C)C)[C@@H](C)CC3,"InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3",C28H46O,,,,,,ILYCWAKSDCYMBB-QHOORVTFSA-N,,,,,,,,,,,
100.000.617,200-679-5,68-12-2,"N,N-dimethylformamide","N,N-dimethylformamide",CN(C)C=O,CN(C)C=O,"InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H3",C3H7NO,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15093,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.617,ZMXDDKWLCZADIW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.622,200-684-2,68-34-8,Toluene-4-sulphonanilide,4-methyl-N-phenylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2,"InChI=1/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3",C13H13NO2S,,,,,,VLVCWODDMDGANW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.623,200-685-8,68-35-9,Sulfadiazine,4-amino-N-pyrimidin-2-ylbenzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2,Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2,"InChI=1/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",C10H10N4O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17511,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.623,SEEPANYCNGTZFQ-UHFFFAOYSA-N,Positive,mzcloud:1139,[M+H]+,HCD_Averaged,156.01136:108.0444:110.06000:92.04947:65.03860:68.04948:80.0495:53.03860:96.0556:94.06512:174.02195:176.01252,HighChem,,,,,
100.002.608,202-868-8,100-59-4,Chlorophenylmagnesium,chloro(phenyl)magnesium,Cl[Mg]c1ccccc1,Cl[Mg]c1ccccc1,InChI=1/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1/rC6H5ClMg/c7-8-6-4-2-1-3-5-6/h1-5H,C6H5ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10694,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.608,GQONLASZRVFGHI-UHFFFAOYSA-M,,,,,,,,,,,
100.002.610,202-870-9,100-61-8,N-methylaniline,N-methylaniline,CNc1ccccc1,CNc1ccccc1,"InChI=1/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3",C7H9N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12653,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.610,AFBPFSWMIHJQDM-UHFFFAOYSA-N,Positive,SM812601,[M+H]+,HCD35,93.0573:108.0807:91.0542,CASMI_2016,,,,,
100.002.621,202-882-4,100-72-1,Tetrahydropyran-2-ylmethanol,tetrahydro-2H-pyran-2-ylmethanol,OCC1CCCCO1,OCC1CCCCO1,"InChI=1/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2",C6H12O2,,,,,,ROTONRWJLXYJBD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.626,202-888-7,100-79-8,"2,2-dimethyl-1,3-dioxolan-4-ylmethanol","(2,2-dimethyl-1,3-dioxolan-4-yl)methanol",CC1(C)OCC(CO)O1,CC1(C)OCC(CO)O1,"InChI=1/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3",C6H12O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12258,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.626,RNVYQYLELCKWAN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.628,202-890-8,100-81-2,3-methylbenzylamine,1-(3-methylphenyl)methanamine,Cc1cccc(CN)c1,Cc1cccc(CN)c1,"InChI=1/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3",C8H11N,,,,,,RGXUCUWVGKLACF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.632,202-895-5,100-85-6,Benzyltrimethylammonium hydroxide,"N,N,N-trimethyl(phenyl)methanaminium hydroxide",[OH-].C[N+](C)(C)Cc1ccccc1,[OH-].C[N+](C)(C)Cc1ccccc1,"InChI=1/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1",C10H16N.HO,,,,,,NDKBVBUGCNGSJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.002.634,202-897-6,100-87-8,Toluene-a-sulphonic acid,phenylmethanesulfonic acid,OS(=O)(=O)Cc1ccccc1,OS(=O)(=O)Cc1ccccc1,"InChI=1/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)",C7H8O3S,,,,,,NIXKBAZVOQAHGC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.635,202-898-1,100-88-9,N-cyclohexylsulphamic acid,cyclohexylsulfamic acid,OS(=O)(=O)NC1CCCCC1,OS(=O)(=O)NC1CCCCC1,"InChI=1/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)",C6H13NO3S,,,,,,HCAJEUSONLESMK-UHFFFAOYSA-N,Positive/Negative,EA281301|EA281302|EA281303|EA281304|EA281305|EA281308|EA281309|EA281310|EA281314,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD15|HCD30|HCD45|CID35,83.0854:55.0542:107.07|83.0855:55.0541:107.0701|83.0856:55.0541:89.0595|83.0855:55.0541|83.0854:55.0543|83.0855:107.0702:55.054|83.0855:55.0542|83.0855:55.0542|83.0855:107.0702:89.0596,Eawag,SM867151;EA281351|EA281352|EA281353|EA281354|EA281355|EA281356|EA281357|EA281358|EA281359|EA281360|EA281361|EA281362|EA281363|EA281364,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,178.0543;178.0546:79.9575:80.9652|178.0544|178.0544|178.0544:79.9573|178.0544:79.9574:80.9651|79.9574:178.0543:80.9652|79.9574:178.0542:80.9654|178.0545|178.0545:79.9573|178.0545:79.9573|178.0544:79.9574:80.9651|79.9574:178.0543:80.9651|79.9574:178.0542:80.965|178.0544:79.9574:80.9652,CASMI_2016;Eawag
100.002.636,202-899-7,100-89-0,"2,2'-[(1,1,3-trimethylpropane-1,3-diyl)bis(oxy)]bis[4,4,6-trimethyl-1,3,2-dioxaborinane]","2,2'-[(2-methylpentane-2,4-diyl)bis(oxy)]bis(4,4,6-trimethyl-1,3,2-dioxaborinane)",CC(CC(C)(C)OB1OC(C)CC(C)(C)O1)OB2OC(C)CC(C)(C)O2,CC(CC(C)(C)OB1OC(C)CC(C)(C)O1)OB2OC(C)CC(C)(C)O2,"InChI=1/C18H36B2O6/c1-13-10-16(4,5)24-19(21-13)22-14(2)11-17(6,7)25-20-23-15(3)12-18(8,9)26-20/h13-15H,10-12H2,1-9H3",C18H36B2O6,,,,,,QXMQBCRKITYLGR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.639,202-902-1,100-93-6,4'-anilinotoluene-4-sulphonanilide,N-(4-anilinophenyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2,"InChI=1/C19H18N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-18-11-9-17(10-12-18)20-16-5-3-2-4-6-16/h2-14,20-21H,1H3",C19H18N2O2S,,,,,,KEZPMZSDLBJCHH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.643,202-906-3,100-99-2,Triisobutylaluminium,triisobutylaluminum,CC(C)C[Al](CC(C)C)CC(C)C,CC(C)C[Al](CC(C)C)CC(C)C,"InChI=1/3C4H9.Al/c3*1-4(2)3;/h3*4H,1H2,2-3H3;/rC12H27Al/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27Al,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13426,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.643,MCULRUJILOGHCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.648,202-912-6,101-07-5,2-[bis(2-ethylhexyl)amino]ethanol,2-[bis(2-ethylhexyl)amino]ethanol,CCCCC(CC)CN(CCO)CC(CC)CCCC,CCCCC(CC)CN(CCO)CC(CC)CCCC,"InChI=1/C18H39NO/c1-5-9-11-17(7-3)15-19(13-14-20)16-18(8-4)12-10-6-2/h17-18,20H,5-16H2,1-4H3",C18H39NO,,,,,,FMFWSIARXFCACS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.649,202-913-1,101-08-6,Diperodon,"3-piperidin-1-ylpropane-1,2-diyl bis(phenylcarbamate) hydrate",O.O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3,O.O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3,"InChI=1/C22H27N3O4.H2O/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27);1H2",C22H27N3O4,,,,,,DUEYECWLQOUBNL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.650,202-914-7,101-09-7,[(3-aminophenyl)amino]oxoacetic acid,[(3-aminophenyl)amino](oxo)acetic acid,Nc1cccc(NC(=O)C(O)=O)c1,Nc1cccc(NC(=O)C(O)=O)c1,"InChI=1/C8H8N2O3/c9-5-2-1-3-6(4-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)",C8H8N2O3,,,,,,RNEUWLIFSPFBQF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.654,202-918-9,101-14-4,"4,4'-methylenebis[2-chloroaniline]","4,4'-methylenebis(2-chloroaniline)",Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,"InChI=1/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2",C13H12Cl2N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14426,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.654,IBOFVQJTBBUKMU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.656,202-921-5,101-16-6,N-phenyl-m-anisidine,3-methoxy-N-phenylaniline,COc1cccc(Nc2ccccc2)c1,COc1cccc(Nc2ccccc2)c1,"InChI=1/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3",C13H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18814,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.656,MKASXAGBWHIGCF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.657,202-922-0,101-17-7,3-chlorodiphenylamine,3-chloro-N-phenylaniline,Clc1cccc(Nc2ccccc2)c1,Clc1cccc(Nc2ccccc2)c1,"InChI=1/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H",C12H10ClN,,,,,,OHHIBZKYXJDQEU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.232,205-754-6,150-19-6,3-methoxyphenol,3-methoxyphenol,COc1cccc(O)c1,COc1cccc(O)c1,"InChI=1/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3",C7H8O2,,,,,,ASHGTJPOSUFTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.233,205-755-1,150-25-4,"N,N-bis(2-hydroxyethyl)glycine","N,N-bis(2-hydroxyethyl)glycine",OCCN(CCO)CC(=O)O,OCCN(CCO)CC(=O)O,"InChI=1/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)",C6H13NO4,,,,,,FSVCELGFZIQNCK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.234,205-756-7,150-30-1,DL-phenylalanine,phenylalanine,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O,"InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",C9H11NO2,,,,,,COLNVLDHVKWLRT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.238,205-760-9,150-46-9,Triethyl borate,triethyl borate,CCOB(OCC)OCC,CCOB(OCC)OCC,"InChI=1/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3",C6H15BO3,,,,,,AJSTXXYNEIHPMD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.243,205-766-1,150-68-5,Monuron,"3-(4-chlorophenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1ccc(Cl)cc1,CN(C)C(=O)Nc1ccc(Cl)cc1,"InChI=1/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)",C9H11ClN2O,,,,,,BMLIZLVNXIYGCK-UHFFFAOYSA-N,Positive/Negative,EA016101|EA016102|EA016103|EA016104|EA016105|EA016106|EA016107|EA016108|EA016109|EA016110|EA016111|EA016112|EA016113|EA016114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,72.0444:199.0637|199.0634:72.0443|199.0635:72.0444:154.0056|72.0444:199.0629:126.0105|72.0444:126.0104:154.0054|72.0444:126.0105:154.0054|72.0444:126.0104:98.9994|199.0633:72.0443|199.0633:72.0444:154.005|72.0444:199.0634:126.0105|72.0444:126.0104:154.0053|72.0444:126.0105:98.9996|72.0444:126.0105:98.9996|72.0444:199.0628,Eawag,EA016151|EA016152|EA016153|EA016154|EA016155|EA016158|EA016159|EA016160|EA016161|EA016164,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD15|HCD30|HCD45|HCD60|CID35,151.9908|197.0487|197.0487:151.9906|151.9906:197.0488|151.9905|197.0485|197.0483|151.9906:197.0487|151.9907|151.9907,Eawag
100.005.246,205-769-8,150-76-5,Mequinol,4-methoxyphenol,COc1ccc(O)cc1,COc1ccc(O)cc1,"InChI=1/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",C7H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16005,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.246,NWVVVBRKAWDGAB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.247,205-770-3,150-77-6,"N,N,N',N'-tetraethylethylenediamine","N,N,N',N'-tetraethylethane-1,2-diamine",CCN(CC)CCN(CC)CC,CCN(CC)CCN(CC)CC,"InChI=1/C10H24N2/c1-5-11(6-2)9-10-12(7-3)8-4/h5-10H2,1-4H3",C10H24N2,,,,,,DIHKMUNUGQVFES-UHFFFAOYSA-N,,,,,,,,,,,
100.005.248,205-771-9,150-78-7,"1,4-dimethoxybenzene","1,4-dimethoxybenzene",COc1ccc(OC)cc1,COc1ccc(OC)cc1,"InChI=1/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3",C8H10O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2003,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.248,OHBQPCCCRFSCAX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.249,205-772-4,150-81-2,(tetrahydro-3-furyl)methyl oleate,tetrahydrofuran-3-ylmethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC1CCOC1,CCCCCCCC\C=C/CCCCCCCC(=O)OCC1CCOC1,"InChI=1/C23H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)26-21-22-18-19-25-20-22/h9-10,22H,2-8,11-21H2,1H3",C23H42O3,,,,,,NSMHOFMBVBYNJX-KTKRTIGZSA-N,,,,,,,,,,,
100.005.252,205-776-6,150-86-7,"3,7,11,15-tetramethylhexadec-2-en-1-ol","3,7,11,15-tetramethylhexadec-2-en-1-ol",CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO,CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO,"InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3",C20H40O,,,,,,BOTWFXYSPFMFNR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.255,205-779-2,151-00-8,Isobutyraldehyde oxime,2-methylpropanal oxime,CC(C)\\C=N\\O,CC(C)\C=N\O,"InChI=1/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3",C4H9NO,,,,,,SYJPAKDNFZLSMV-HWKANZROSA-N,,,,,,,,,,,
100.005.256,205-780-8,151-01-9,O-ethyl hydrogen dithiocarbonate,O-ethyl hydrogen dithiocarbonate,CCOC(=S)S,CCOC(=S)S,"InChI=1/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)",C3H6OS2,,,,,,ZOOODBUHSVUZEM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.258,205-782-9,151-06-4,Chlorphentermine hydrochloride,1-(4-chlorophenyl)-2-methylpropan-2-amine hydrochloride,Cl.CC(C)(N)Cc1ccc(Cl)cc1,Cl.CC(C)(N)Cc1ccc(Cl)cc1,"InChI=1/C10H14ClN.ClH/c1-10(2,12)7-8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H",C10H14ClN.ClH,,,,,,WEJDYJKJPUPMLH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.262,205-787-6,151-19-9,"3,6-dimethyloctan-3-ol","3,6-dimethyloctan-3-ol",CCC(C)CCC(C)(O)CC,CCC(C)CCC(C)(O)CC,"InChI=1/C10H22O/c1-5-9(3)7-8-10(4,11)6-2/h9,11H,5-8H2,1-4H3",C10H22O,,,,,,NPHCXUPGMINOPP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.264,205-789-7,151-32-6,Dinonyl adipate,dinonyl adipate,CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC,CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC,"InChI=1/C24H46O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h3-22H2,1-2H3",C24H46O4,,,,,,WIYAGHSNPUBKDT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.274,205-800-5,152-11-4,Verapamil hydrochloride,"2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile hydrochloride",Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,"InChI=1/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H",C27H38N2O4.ClH,,,,,,DOQPXTMNIUCOSY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.275,205-801-0,152-16-9,Schradan,"N,N,N',N',N'',N'',N''',N'''-octamethyldiphosphoric tetraamide",CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C,CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C,"InChI=1/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3",C8H24N4O3P2,,,,,,SZKKRCSOSQAJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.277,205-803-1,152-43-2,Quinestrol,"3-(cyclopentyloxy)-17-ethynylestra-1,3,5(10)-trien-17-ol",C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCC5)ccc34)[C@@H]1CC[C@@]2(O)C#C,C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCC5)ccc34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3",C25H32O2,,,,,,PWZUUYSISTUNDW-VAFBSOEGSA-N,,,,,,,,,,,
100.003.362,203-697-1,109-70-6,1-bromo-3-chloropropane,1-bromo-3-chloropropane,ClCCCBr,ClCCCBr,InChI=1/C3H6BrCl/c4-2-1-3-5/h1-3H2,C3H6BrCl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13862,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.362,MFESCIUQSIBMSM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.379,203-715-8,109-88-6,Magnesium methanolate,magnesium dimethanolate,[Mg+2].C[O-].C[O-],[Mg+2].C[O-].C[O-],InChI=1/2CH3O.Mg/c2*1-2;/h2*1H3;/q2*-1;+2,CH4O.1/2Mg,,,,,,CRGZYKWWYNQGEC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.380,203-716-3,109-89-7,Diethylamine,N-ethylethanamine,CCNCC,CCNCC,"InChI=1/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3",C4H11N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8319,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.380,HPNMFZURTQLUMO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.383,203-720-5,109-93-3,Divinyl ether,"1,1'-oxydiethene",C=COC=C,C=COC=C,"InChI=1/C4H6O/c1-3-5-4-2/h3-4H,1-2H2",C4H6O,,,,,,QYKIQEUNHZKYBP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.384,203-721-0,109-94-4,Ethyl formate,ethyl formate,CCOC=O,CCOC=O,"InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3",C3H6O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17274,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.384,WBJINCZRORDGAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.385,203-722-6,109-95-5,Ethyl nitrite,ethyl nitrite,CCON=O,CCON=O,"InChI=1/C2H5NO2/c1-2-5-3-4/h2H2,1H3",C2H5NO2,,,,,,QQZWEECEMNQSTG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.391,203-728-9,110-01-0,Tetrahydrothiophene,tetrahydrothiophene,C1CCSC1,C1CCSC1,InChI=1/C4H8S/c1-2-4-5-3-1/h1-4H2,C4H8S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2145,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.391,RAOIDOHSFRTOEL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.392,203-729-4,110-02-1,Thiophene,thiophene,c1ccsc1,c1ccsc1,InChI=1/C4H4S/c1-2-4-5-3-1/h1-4H,C4H4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12099,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.392,YTPLMLYBLZKORZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.394,203-732-0,110-04-3,"1,2-ethanedisulphonic acid","ethane-1,2-disulfonic acid",OS(=O)(=O)CCS(=O)(=O)O,OS(=O)(=O)CCS(=O)(=O)O,"InChI=1/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)",C2H6O6S2,,,,,,AFAXGSQYZLGZPG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.395,203-733-6,110-05-4,Di-tert-butyl peroxide,"2,2'-dioxybis(2-methylpropane)",CC(C)(C)OOC(C)(C)C,CC(C)(C)OOC(C)(C)C,"InChI=1/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3",C8H18O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14549,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.395,LSXWFXONGKSEMY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.397,203-735-7,110-07-6,Ethyldimethyl(octadecyl)ammonium ethyl sulphate,"N-ethyl-N,N-dimethyloctadecan-1-aminium ethyl sulfate",CCCCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1/C22H48N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;1-2-6-7(3,4)5/h5-22H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C22H48N.C2H5O4S,,,,,,NRLUCCYRQRCHIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.003.400,203-738-3,110-13-4,"Hexane-2,5-dione","hexane-2,5-dione",CC(=O)CCC(=O)C,CC(=O)CCC(=O)C,"InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3",C6H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17623,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.400,OJVAMHKKJGICOG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.121,203-431-4,106-79-6,Dimethyl sebacate,dimethyl sebacate,COC(=O)CCCCCCCCC(=O)OC,COC(=O)CCCCCCCCC(=O)OC,"InChI=1/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3",C12H22O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14977,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.121,ALOUNLDAKADEEB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.000,204-399-4,120-47-8,Ethyl 4-hydroxybenzoate,ethyl 4-hydroxybenzoate,CCOC(=O)c1ccc(O)cc1,CCOC(=O)c1ccc(O)cc1,"InChI=1/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",C9H10O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13843,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.000,NUVBSKCKDOMJSU-UHFFFAOYSA-N,Positive/Negative,UF423301|UF423302|UF423303|UF423304,[M+H]+,HCD55|HCD80|CID35|CID55,95.0489:121.0281:139.0387|121.0282:95.049:77.0384|139.0387:121.0283:95.049|139.0387:121.0282:95.049,UFZ,SM863551;UF423351|UF423352|UF423353|UF423354,[M-H]-;[M-H]-,HCD35;HCD55|HCD80|CID35|CID55,165.0557:137.0244:136.0165;165.0556|165.0557:137.0244:92.0272|137.0244:136.0166:93.0346|137.0244:136.0166:93.0346,CASMI_2016;UFZ
100.004.007,204-407-6,120-55-8,Oxydiethylene dibenzoate,"oxydiethane-2,1-diyl dibenzoate",O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2,O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2,"InChI=1/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2",C18H18O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5156,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.007,NXQMCAOPTPLPRL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.015,204-416-5,120-67-2,"2-(2,4-dichlorophenoxy)ethanol","2-(2,4-dichlorophenoxy)ethanol",OCCOc1ccc(Cl)cc1Cl,OCCOc1ccc(Cl)cc1Cl,"InChI=1/C8H8Cl2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2",C8H8Cl2O2,,,,,,PCCMNBRZMKANQD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.017,204-418-6,120-70-7,"a,a'-trimethylenedinitrilodi-o-cresol","2,2'-[propane-1,3-diylbis(nitrilomethylylidene)]diphenol",Oc2ccccc2C=NCCCN=Cc1ccccc1O,Oc2ccccc2C=NCCCN=Cc1ccccc1O,"InChI=1/C17H18N2O2/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21/h1-4,6-9,12-13,20-21H,5,10-11H2",C17H18N2O2,,,,,,KLDZYURQCUYZBL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.019,204-420-7,120-72-9,Indole,1H-indole,c1ccc2[nH]ccc2c1,c1ccc2[nH]ccc2c1,"InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H",C8H7N,,,,,,SIKJAQJRHWYJAI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.021,204-422-8,120-74-1,Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,OC(=O)C1CC2CC1C=C2,OC(=O)C1CC2CC1C=C2,"InChI=1/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)",C8H10O2,,,,,,FYGUSUBEMUKACF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.022,204-423-3,120-75-2,2-methylbenzothiazole,"2-methyl-1,3-benzothiazole",Cc1nc2ccccc2s1,Cc1nc2ccccc2s1,"InChI=1/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3",C8H7NS,,,,,,DXYYSGDWQCSKKO-UHFFFAOYSA-N,Positive,SM878603,[M+H]+,HCD35,152.0167:120.0445:110.0601,CASMI_2016,,,,,
100.000.005,200-004-4,50-03-3,Hydrocortisone 21-acetate,"11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3",C23H32O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1992,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.005,ALEXXDVDDISNDU-JZYPGELDSA-N,Positive,SM874801,[M+H]+,HCD35,405.2272:121.0648:327.1955,CASMI_2016,,,,,
100.000.008,200-008-6,50-07-7,Mitomycin,"(6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate",CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N,CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N,"InChI=1/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)",C15H18N4O5,,,,,,NWIBSHFKIJFRCO-WUDYKRTCSA-N,,,,,,,,,,,
100.000.014,200-014-9,50-14-6,Ergocalciferol,"9,10-secoergosta-5,7,10,22-tetraen-3-ol",CC(C)[C@@H](C)\\C=C\\[C@@H](C)[C@H]1CC[C@H]2\\C(=C\\C=C/3\\C[C@@H](O)CCC3=C)\\CCC[C@]12C,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C,"InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3",C28H44O,,,,,,MECHNRXZTMCUDQ-RKHKHRCZSA-N,,,,,,,,,,,
100.000.019,200-020-1,50-23-7,Hydrocortisone,"11,17,21-trihydroxypregn-4-ene-3,20-dione",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3",C21H30O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14486,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.019,JYGXADMDTFJGBT-VWUMJDOOSA-N,Positive,EQ320101|EQ320102|EQ320103|EQ320104|EQ320105|EQ320106|EQ320107|EQ320108|EQ320109,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,363.2166:327.1956:345.2063|121.0648:363.2168:327.1956|121.0648:97.0648:145.1012|121.0648:97.0648:105.0699|121.0648:105.0699:91.0543|91.0542:105.0699:121.0648|91.0543:128.0621:79.0542|91.0543:115.0543:128.0621|115.0543:91.0543:65.0386,Eawag,,,,,
100.000.027,200-029-0,50-33-9,Phenylbutazone,"4-butyl-1,2-diphenylpyrazolidine-3,5-dione",CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,"InChI=1/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",C19H20N2O2,,,,,,VYMDGNCVAMGZFE-UHFFFAOYSA-N,Positive/Negative,AU115801|AU115802|AU115803|AU115804|AU115805;EQ361501|EQ361502|EQ361503|EQ361504|EQ361505|EQ361506|EQ361507|EQ361508|EQ361509,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,309.1551:310.159:311.1531|294.1489:307.1573:295.1542|309.1658:294.1485:266.1303|266.1308:279.1254:171.0835|266.1306:279.1256:276.1148;309.1597:190.1227:188.107|120.0444:188.1071:309.1599|120.0445:92.0495:160.1122|92.0495:65.0386:120.0445|92.0495:65.0386:95.0492|65.0386:92.0495:95.0492|65.0386:95.0492:105.0448|65.0386:95.0492:77.0386|51.023:65.0386:50.0152,Athens_Univ;Eawag,EQ361551|EQ361552|EQ361553|EQ361554|EQ361555|EQ361556|EQ361557|EQ361558|EQ361559,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,307.1451:279.1503:131.0374|307.1452:279.1504:131.0376|131.0376:92.0506:279.1503|92.0506:131.0377:170.0975|92.0506:131.0376:95.0502|92.0506:131.0376:95.0502|92.0506:65.0397:144.0455|92.0506:65.0397:116.0506|92.0506:65.0397:50.0035,Eawag
100.000.030,200-032-7,50-36-2,Cocaine,methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate,COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3,COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3",C17H21NO4,,,,,,ZPUCINDJVBIVPJ-LJISPDSOSA-N,Positive,AU161901|AU161902|AU161903|AU161904|AU161905;EA281701|EA281702|EA281703|EA281704|EA281705|EA281706|EA281707|EA281708|EA281709|EA281710|EA281711|EA281712|EA281713|EA281714,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,304.1559:305.1582:182.117|182.1171:304.1559:305.1582|182.1171:150.0904:183.1203|182.1166:150.0901:119.0482|182.1164:119.0482:150.0901;182.1178:150.0914:272.1281|304.1546|304.1543:182.1176:82.065|182.1178:82.0653:304.1548|182.1176:105.0335:82.0652|105.0336:82.0653:182.1177|105.0335:82.0652:77.0386|304.1545:182.1178|304.1544:182.1177:82.0651|182.1178:82.0652:304.1545|182.1177:105.0336:82.0652|105.0335:82.0652:91.0542|105.0335:82.0652:77.0386|182.1177:150.0914:272.128,Athens_Univ;Eawag,,,,,
100.000.033,200-035-3,50-41-9,Clomifen dihydrogen citrate,"2-[4-(2-chloro-1,2-diphenylvinyl)phenoxy]-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",OC(=O)C(O)(CC(O)=O)CC(O)=O.CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC,OC(=O)C(O)(CC(O)=O)CC(O)=O.CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC,"InChI=1/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C26H28ClNO.C6H8O7,,,,,,PYTMYKVIJXPNBD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.041,200-044-2,50-52-2,Thioridazine,10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine,CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1,CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1,"InChI=1/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",C21H26N2S2,,,,,,KLBQZWRITKRQQV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.045,200-048-4,50-56-6,Oxytocin,"1-{[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-sec-butyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-leucylglycinamide",CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N,"InChI=1/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)",C43H66N12O12S2,,,,,,XNOPRXBHLZRZKH-DSZYJQQASA-N,,,,,,,,,,,
100.000.054,200-058-9,50-67-9,3-(2-aminoethyl)indol-5-ol,3-(2-aminoethyl)-1H-indol-5-ol,NCCc1c[nH]c2ccc(O)cc12,NCCc1c[nH]c2ccc(O)cc12,"InChI=1/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",C10H12N2O,,,,,,QZAYGJVTTNCVMB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.664,202-929-9,101-26-8,Pyridostigmine bromide,3-[(dimethylcarbamoyl)oxy]-1-methylpyridinium bromide,[Br-].CN(C)C(=O)Oc1ccc[n+](C)c1,[Br-].CN(C)C(=O)Oc1ccc[n+](C)c1,"InChI=1/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1",C9H13N2O2.Br,,,,,,VNYBTNPBYXSMOO-UHFFFAOYSA-M,,,,,,,,,,,
100.002.680,202-947-7,101-50-8,"4-aminoazobenzene-3,4'-disulphonic acid",2-amino-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid,Nc1ccc(cc1S(=O)(=O)O)N=Nc2ccc(cc2)S(=O)(=O)O,Nc1ccc(cc1S(=O)(=O)O)N=Nc2ccc(cc2)S(=O)(=O)O,"InChI=1/C12H11N3O6S2/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18/h1-7H,13H2,(H,16,17,18)(H,19,20,21)",C12H11N3O6S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17272,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.680,DCYBHNIOTZBCFS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.681,202-948-2,101-51-9,5-[(p-aminophenyl)azo]salicylic acid,5-[(4-aminophenyl)diazenyl]-2-hydroxybenzoic acid,O=C(O)c1cc(ccc1O)N=Nc2ccc(N)cc2,O=C(O)c1cc(ccc1O)N=Nc2ccc(N)cc2,"InChI=1/C13H11N3O3/c14-8-1-3-9(4-2-8)15-16-10-5-6-12(17)11(7-10)13(18)19/h1-7,17H,14H2,(H,18,19)",C13H11N3O3,,,,,,DQMAUXIQILXETR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.683,202-950-3,101-53-1,4-benzylphenol,4-benzylphenol,Oc1ccc(Cc2ccccc2)cc1,Oc1ccc(Cc2ccccc2)cc1,"InChI=1/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2",C13H12O,,,,,,HJSPWKGEPDZNLK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.684,202-951-9,101-54-2,N-(4-aminophenyl)aniline,"N-phenylbenzene-1,4-diamine",Nc1ccc(Nc2ccccc2)cc1,Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2",C12H12N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14731,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.684,ATGUVEKSASEFFO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.695,202-963-4,101-65-5,"Diphenyl (methylenedi-4,1-phenylene)-dicarbamate","diphenyl (methylenedi-4,1-phenylene)biscarbamate",O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccccc3)cc2)cc1)Oc4ccccc4,O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccccc3)cc2)cc1)Oc4ccccc4,"InChI=1/C27H22N2O4/c30-26(32-24-7-3-1-4-8-24)28-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)29-27(31)33-25-9-5-2-6-10-25/h1-18H,19H2,(H,28,30)(H,29,31)",C27H22N2O4,,,,,,LKYATCXVAUHHMS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.697,202-966-0,101-68-8,"4,4'-methylenediphenyl diisocyanate","1,1'-methylenebis(4-isocyanatobenzene)",O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1,O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1,"InChI=1/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2",C15H10N2O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15384,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.697,UPMLOUAZCHDJJD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.698,202-967-6,101-69-9,4-[(4-methoxyphenyl)amino]benzenediazonium chloride,4-[(4-methoxyphenyl)amino]benzenediazonium chloride,[Cl-].COc1ccc(Nc2ccc(cc2)[N+]#N)cc1,[Cl-].COc1ccc(Nc2ccc(cc2)[N+]#N)cc1,"InChI=1/C13H12N3O.ClH/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;/h2-9,15H,1H3;1H/q+1;/p-1",C13H12N3O.Cl,,,,,,AAXAHUUIRLOQMB-UHFFFAOYSA-M,,,,,,,,,,,
100.002.699,202-968-1,101-70-2,N-(4-methoxyphenyl)-p-anisidine,4-methoxy-N-(4-methoxyphenyl)aniline,COc1ccc(Nc2ccc(OC)cc2)cc1,COc1ccc(Nc2ccc(OC)cc2)cc1,"InChI=1/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3",C14H15NO2,,,,,,VCOONNWIINSFBA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.700,202-969-7,101-72-4,N-isopropyl-N'-phenyl-p-phenylenediamine,"N-isopropyl-N'-phenylbenzene-1,4-diamine",CC(C)Nc1ccc(Nc2ccccc2)cc1,CC(C)Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3",C15H18N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13374,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.700,OUBMGJOQLXMSNT-UHFFFAOYSA-N,Positive,UF413701|UF413702|UF413703|UF413704,[M+H]+,HCD55|HCD80|CID35|CID55,120.0812:227.1552:195.1051|120.0812:180.0814:178.0784|227.1551:120.0813:193.1021|120.0812:193.1019:178.0784,UFZ,,,,,
100.002.704,202-973-9,101-76-8,"1,1'-methylenebis[4-chlorobenzene]","1,1'-methylenebis(4-chlorobenzene)",Clc1ccc(Cc2ccc(Cl)cc2)cc1,Clc1ccc(Cc2ccc(Cl)cc2)cc1,"InChI=1/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2",C13H10Cl2,,,,,,LQGSWLJZAKVBJH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.706,202-976-5,101-79-1,4-(4-chlorophenoxy)aniline,4-(4-chlorophenoxy)aniline,Nc1ccc(Oc2ccc(Cl)cc2)cc1,Nc1ccc(Oc2ccc(Cl)cc2)cc1,"InChI=1/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2",C12H10ClNO,,,,,,YTISFYMPVILQRL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.708,202-978-6,101-81-5,Diphenylmethane,"1,1'-methylenedibenzene",C(c1ccccc1)c2ccccc2,C(c1ccccc1)c2ccccc2,"InChI=1/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2",C13H12,,,,,,CZZYITDELCSZES-UHFFFAOYSA-N,,,,,,,,,,,
100.002.714,202-984-9,101-87-1,N-cyclohexyl-N'-phenyl-p-phenylenediamine,"N-cyclohexyl-N'-phenylbenzene-1,4-diamine",C1CCC(CC1)Nc2ccc(Nc3ccccc3)cc2,C1CCC(CC1)Nc2ccc(Nc3ccccc3)cc2,"InChI=1/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2",C18H22N2,,,,,,ZRMMVODKVLXCBB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.716,202-987-5,101-90-6,"m-bis(2,3-epoxypropoxy)benzene","2,2'-[1,3-phenylenebis(oxymethylene)]dioxirane",C(Oc1cccc(OCC2CO2)c1)C3CO3,C(Oc1cccc(OCC2CO2)c1)C3CO3,"InChI=1/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2",C12H14O4,,,,,,WPYCRFCQABTEKC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.718,202-989-6,101-92-8,4'-chloroacetoacetanilide,N-(4-chlorophenyl)-3-oxobutanamide,CC(=O)CC(=O)Nc1ccc(Cl)cc1,CC(=O)CC(=O)Nc1ccc(Cl)cc1,"InChI=1/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)",C10H10ClNO2,,,,,,JMRJWEJJUKUBEA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.281,205-807-3,152-72-7,Acenocoumarol,4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(cc3)[N+](=O)[O-],CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(cc3)[N+](=O)[O-],"InChI=1/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3",C19H15NO6,,,,,,VABCILAOYCMVPS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.282,205-808-9,152-84-1,1-hydroxy-2-[(6-O-ß-D-xylopyranosyl-ß-D-glucopyranosyl)oxy]anthraquinone,"1-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside",O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc4C(=O)c5ccccc5C(=O)c4c3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc4C(=O)c5ccccc5C(=O)c4c3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,"InChI=1/C25H26O13/c26-12-7-35-24(22(33)18(12)29)36-8-14-20(31)21(32)23(34)25(38-14)37-13-6-5-11-15(19(13)30)17(28)10-4-2-1-3-9(10)16(11)27/h1-6,12,14,18,20-26,29-34H,7-8H2",C25H26O13,,,,,,GCGGSVAWTYHZBI-CVQRFVFPSA-N,,,,,,,,,,,
100.005.284,205-811-5,152-97-6,Fluocortolone,"6-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,"InChI=1/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3",C22H29FO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12182,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.284,GAKMQHDJQHZUTJ-ULHLPKEOSA-N,,,,,,,,,,,
100.005.285,205-812-0,153-00-4,Metenolone,17-hydroxy-1-methylandrost-1-en-3-one,CC1=CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C,CC1=CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C,"InChI=1/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3",C20H30O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12092,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.285,ANJQEDFWRSLVBR-VHUDCFPWSA-N,,,,,,,,,,,
100.005.288,205-815-7,153-61-7,Cefalotin,3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O,"InChI=1/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)",C16H16N2O6S2,,,,,,XIURVHNZVLADCM-IUODEOHRSA-N,,,,,,,,,,,
100.005.293,205-820-4,154-02-9,5-hydroxy-1H-indole-3-ethanol,3-(2-hydroxyethyl)-1H-indol-5-ol,OCCc1c[nH]c2ccc(O)cc12,OCCc1c[nH]c2ccc(O)cc12,"InChI=1/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2",C10H11NO2,,,,,,KQROHCSYOGBQGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.312,205-841-9,155-09-9,Tranylcypromine,2-phenylcyclopropanamine,N[C@@H]1C[C@H]1c2ccccc2,N[C@@H]1C[C@H]1c2ccccc2,"InChI=1/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2",C9H11N,,,,,,AELCINSCMGFISI-DTWKUNHWSA-N,,,,,,,,,,,
100.005.317,205-847-1,156-06-9,3-phenylpyruvic acid,2-oxo-3-phenylpropanoic acid,OC(=O)C(=O)Cc1ccccc1,OC(=O)C(=O)Cc1ccccc1,"InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)",C9H8O3,,,,,,BTNMPGBKDVTSJY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.318,205-848-7,156-10-5,4-nitroso-N-phenylaniline,4-nitroso-N-phenylaniline,O=Nc1ccc(Nc2ccccc2)cc1,O=Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H",C12H10N2O,,,,,,OIJHFHYPXWSVPF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.324,205-855-5,156-43-4,p-phenetidine,4-ethoxyaniline,CCOc1ccc(N)cc1,CCOc1ccc(N)cc1,"InChI=1/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3",C8H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10853,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.324,IMPPGHMHELILKG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.331,205-862-3,156-81-0,"Pyrimidine-2,4-diyldiamine","pyrimidine-2,4-diamine",Nc1ccnc(N)n1,Nc1ccnc(N)n1,"InChI=1/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)",C4H6N4,,,,,,YAAWASYJIRZXSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.335,205-867-0,177-10-6,"2,2-pentamethylene-1,3-dioxolane","1,4-dioxaspiro[4.5]decane",C1CCC2(CC1)OCCO2,C1CCC2(CC1)OCCO2,InChI=1/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2,C8H14O2,,,,,,GZGPRZYZKBQPBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.338,205-870-7,180-84-7,"1,7-dioxaspiro[5.5]undecane","1,7-dioxaspiro[5.5]undecane",C1CCC2(CCCCO2)OC1,C1CCC2(CCCCO2)OC1,InChI=1/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2,C9H16O2,,,,,,GBBVHDGKDQAEOT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.339,205-871-2,181-28-2,"7,12-dioxaspiro[5.6]dodecane","7,12-dioxaspiro[5.6]dodecane",C1CCC2(CC1)OCCCCO2,C1CCC2(CC1)OCCCCO2,InChI=1/C10H18O2/c1-2-6-10(7-3-1)11-8-4-5-9-12-10/h1-9H2,C10H18O2,,,,,,GGKFOZUGYBUSAD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.979,204-376-9,120-20-7,"3,4-dimethoxyphenethylamine","2-(3,4-dimethoxyphenyl)ethanamine",COc1ccc(CCN)cc1OC,COc1ccc(CCN)cc1OC,"InChI=1/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3",C10H15NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18955,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.979,ANOUKFYBOAKOIR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.981,204-379-5,120-22-9,"N,N-diethyl-4-nitrosoaniline","N,N-diethyl-4-nitrosoaniline",CCN(CC)c1ccc(cc1)N=O,CCN(CC)c1ccc(cc1)N=O,"InChI=1/C10H14N2O/c1-3-12(4-2)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3",C10H14N2O,,,,,,OLNMJIHADFYHAK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.030,204-432-2,120-87-6,"9,10-dihydroxystearic acid","9,10-dihydroxyoctadecanoic acid",CCCCCCCCC(O)C(O)CCCCCCCC(=O)O,CCCCCCCCC(O)C(O)CCCCCCCC(=O)O,"InChI=1/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)",C18H36O4,,,,,,VACHUYIREGFMSP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.035,204-438-5,120-94-5,1-methylpyrrolidine,1-methylpyrrolidine,CN1CCCC1,CN1CCCC1,"InChI=1/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3",C5H11N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11871,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.035,AVFZOVWCLRSYKC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.038,204-441-1,120-98-9,"5-amino-4-hydroxybenzene-1,3-disulphonic acid","5-amino-4-hydroxybenzene-1,3-disulfonic acid",Nc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C6H7NO7S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,8H,7H2,(H,9,10,11)(H,12,13,14)",C6H7NO7S2,,,,,,HTYRTGGIOAMLRR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.039,204-442-7,121-00-6,2-tert-butyl-4-methoxyphenol,2-tert-butyl-4-methoxyphenol,COc1ccc(O)c(c1)C(C)(C)C,COc1ccc(O)c(c1)C(C)(C)C,"InChI=1/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",C11H16O2,,,,,,MRBKEAMVRSLQPH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.042,204-445-3,121-03-9,4-nitrotoluene-2-sulphonic acid,2-methyl-5-nitrobenzenesulfonic acid,Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)",C7H7NO5S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14674,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.042,ZDTXQHVBLWYPHS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.043,204-446-9,121-04-0,"Toluene-2,4-disulphonic acid","4-methylbenzene-1,3-disulfonic acid",Cc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O,Cc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C7H8O6S2/c1-5-2-3-6(14(8,9)10)4-7(5)15(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)",C7H8O6S2,,,,,,LTYBYSFEGHYUDB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.046,204-450-0,121-14-2,"2,4-dinitrotoluene","1-methyl-2,4-dinitrobenzene",Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3",C7H6N2O4,,,,,,RMBFBMJGBANMMK-UHFFFAOYSA-N,Negative,,,,,,UA004005,[M]-,CID35,165.0305:152.0352:135.0199,UFZ_Additional_Specs
100.002.794,203-072-3,103-03-7,Phenicarbazide,2-phenylhydrazinecarboxamide,NC(=O)NNc1ccccc1,NC(=O)NNc1ccccc1,"InChI=1/C7H9N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)",C7H9N3O,,,,,,AVKHCKXGKPAGEI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.795,203-073-9,103-04-8,(phenylthio)acetic acid,(phenylsulfanyl)acetic acid,OC(=O)CSc1ccccc1,OC(=O)CSc1ccccc1,"InChI=1/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",C8H8O2S,,,,,,MOTOSAGBNXXRRE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.797,203-076-5,103-06-0,Anilinomethanesulphonic acid,anilinomethanesulfonic acid,OS(=O)(=O)CNc1ccccc1,OS(=O)(=O)CNc1ccccc1,"InChI=1/C7H9NO3S/c9-12(10,11)6-8-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,9,10,11)",C7H9NO3S,,,,,,QKZIVVMOMKTVIK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.801,203-080-7,103-11-7,2-ethylhexyl acrylate,2-ethylhexyl acrylate,CCCCC(CC)COC(=O)C=C,CCCCC(CC)COC(=O)C=C,"InChI=1/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3",C11H20O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15362,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.801,GOXQRTZXKQZDDN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.803,203-082-8,103-14-0,4-benzylaminophenol,4-(benzylamino)phenol,Oc1ccc(NCc2ccccc2)cc1,Oc1ccc(NCc2ccccc2)cc1,"InChI=1/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2",C13H13NO,,,,,,SRYYOKKLTBRLHT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.806,203-085-4,103-18-4,4-[(4-aminophenyl)azo]phenol,4-[(4-aminophenyl)diazenyl]phenol,Oc2ccc(N=Nc1ccc(N)cc1)cc2,Oc2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2",C12H11N3O,,,,,,NCKPQOUTAMSEAO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.813,203-093-8,103-26-4,Methyl cinnamate,methyl 3-phenylacrylate,COC(=O)\\C=C\\c1ccccc1,COC(=O)\C=C\c1ccccc1,"InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3",C10H10O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12366,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.813,CCRCUPLGCSFEDV-BQYQJAHWSA-N,,,,,,,,,,,
100.002.820,203-102-5,103-33-3,Azobenzene,diphenyldiazene,c1ccc(cc1)N=Nc2ccccc2,c1ccc(cc1)N=Nc2ccccc2,InChI=1/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,C12H10N2,,,,,,DMLAVOWQYNRWNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.821,203-103-0,103-34-4,Di(morpholin-4-yl) disulphide,"4,4'-disulfanediyldimorpholine",C1CN(CCO1)SSN2CCOCC2,C1CN(CCO1)SSN2CCOCC2,InChI=1/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2,C8H16N2O2S2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12037,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.821,HLBZWYXLQJQBKU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.823,203-105-1,103-37-7,Benzyl butyrate,benzyl butyrate,CCCC(=O)OCc1ccccc1,CCCC(=O)OCc1ccccc1,"InChI=1/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3",C11H14O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17310,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.823,VONGZNXBKCOUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.824,203-106-7,103-38-8,Benzyl isovalerate,benzyl 3-methylbutanoate,CC(C)CC(=O)OCc1ccccc1,CC(C)CC(=O)OCc1ccccc1,"InChI=1/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18854,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.824,HVJKZICIMIWFCP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.839,203-122-4,103-55-9,2-benzylaminoethyldimethylamine,"N'-benzyl-N,N-dimethylethane-1,2-diamine",CN(C)CCNCc1ccccc1,CN(C)CCNCc1ccccc1,"InChI=1/C11H18N2/c1-13(2)9-8-12-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3",C11H18N2,,,,,,LLSJAFHDYCTFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.058,200-063-6,50-76-0,Dactinomycin,"2-amino-N,N'-bis(6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide",CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O,CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O,"InChI=1/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)",C62H86N12O16,,,,,,RJURFGZVJUQBHK-IIXSONLDSA-N,,,,,,,,,,,
100.000.070,200-076-7,51-03-6,2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether,"5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-1,3-benzodioxole",CCCCOCCOCCOCc1cc2OCOc2cc1CCC,CCCCOCCOCCOCc1cc2OCOc2cc1CCC,"InChI=1/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3",C19H30O5,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6020,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.070,FIPWRIJSWJWJAI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.077,200-084-0,51-20-7,5-bromouracil,"5-bromopyrimidine-2,4(1H,3H)-dione",BrC1=CNC(=O)NC1=O,BrC1=CNC(=O)NC1=O,"InChI=1/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",C4H3BrN2O2,,,,,,LQLQRFGHAALLLE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.078,200-085-6,51-21-8,Fluorouracil,"5-fluoropyrimidine-2,4(1H,3H)-dione",FC1=CNC(=O)NC1=O,FC1=CNC(=O)NC1=O,"InChI=1/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",C4H3FN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10855,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.078,GHASVSINZRGABV-UHFFFAOYSA-N,Positive/Negative,EA256601|EA256602|EA256603|EA256604|EA256605|EA256606|EA256607|EA256608|EA256609|EA256610|EA256611|EA256612|EA256613|EA256614,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,84.9597:113.9985:88.0192|131.025|131.025:84.9597:113.9985|131.025:113.9985:84.9597|113.9984:131.025:84.9597|113.9985:131.025:84.9597|113.9985:84.9597:58.0087|131.025:84.9596|131.025:84.9596:113.9984|131.025:84.9596:113.9985|113.9985:131.025:84.9596|113.9985:84.9596:131.025|113.9984:84.9596:58.0087|84.9596:113.9985:113.0231,Eawag,EA256652|EA256653|EA256654|EA256655|EA256656|EA256657|EA256658|EA256659|EA256660|EA256661|EA256662|EA256663,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,129.0109|129.0108|129.0107|129.0106|129.0103|129.0106:58.994|129.0105|129.0106|129.0106|129.0105|129.0103:58.9941|58.9939,Eawag
100.000.079,200-086-1,51-24-1,Tiratricol,"[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid",OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,"InChI=1/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)",C14H9I3O4,,,,,,UOWZUVNAGUAEQC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.082,200-089-8,51-30-9,Isoprenaline hydrochloride,"4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol hydrochloride",Cl.CC(C)NCC(O)c1ccc(O)c(O)c1,Cl.CC(C)NCC(O)c1ccc(O)c(O)c1,"InChI=1/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H",C11H17NO3.ClH,,,,,,IROWCYIEJAOFOW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.083,200-090-3,51-34-3,Hyoscine,"9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate",CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,"InChI=1/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3",C17H21NO4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7012,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.083,STECJAGHUSJQJN-FWXGHANASA-N,,,,,,,,,,,
100.000.085,200-092-4,51-36-5,"3,5-dichlorobenzoic acid","3,5-dichlorobenzoic acid",OC(=O)c1cc(Cl)cc(Cl)c1,OC(=O)c1cc(Cl)cc(Cl)c1,"InChI=1/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)",C7H4Cl2O2,,,,,,CXKCZFDUOYMOOP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.087,200-095-0,51-40-1,Norepinephrine hydrogen tartrate,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol 2,3-dihydroxysuccinate (salt)",Oc1ccc(cc1O)[C@@H](O)CN.OC(=O)C(O)C(O)C(O)=O,Oc1ccc(cc1O)[C@@H](O)CN.OC(=O)C(O)C(O)C(O)=O,"InChI=1/C8H11NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)",C8H11NO3.C4H6O6,,,,,,WNPNNLQNNJQYFA-QRPNPIFTSA-N,,,,,,,,,,,
100.000.093,200-101-1,51-48-9,DL-thyroxin,"O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine",N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,"InChI=1/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)",C15H11I4NO4,,,,,,XUIIKFGFIJCVMT-LBPRGKRZSA-N,,,,,,,,,,,
100.000.103,200-112-1,51-64-9,Dexamphetamine,1-phenylpropan-2-amine,C[C@H](N)Cc1ccccc1,C[C@H](N)Cc1ccccc1,"InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",C9H13N,,,,,,KWTSXDURSIMDCE-QMMMGPOBSA-N,,,,,,,,,,,
100.000.108,200-117-9,51-71-8,Phenelzine,(2-phenylethyl)hydrazine,NNCCc1ccccc1,NNCCc1ccccc1,"InChI=1/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2",C8H12N2,,,,,,RMUCZJUITONUFY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.109,200-118-4,51-74-1,2-imidazol-4-ylethylamine--orthophosphoric acid (1:2),2-(1H-imidazol-4-yl)ethanamine,NCCc1c[nH]cn1,NCCc1c[nH]cn1,"InChI=1/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",C5H9N3.2H3O4P,,,,,,NTYJJOPFIAHURM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.114,200-124-7,51-80-9,"N,N,N',N'-tetramethylmethylenediamine","N,N,N',N'-tetramethylmethanediamine",CN(C)CN(C)C,CN(C)CN(C)C,"InChI=1/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3",C5H14N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11331,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.114,VGIVLIHKENZQHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.119,200-129-4,51-85-4,"2,2'-dithiobis(ethylamine)","2,2'-disulfanediyldiethanamine",NCCSSCCN,NCCSSCCN,InChI=1/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2,C4H12N2S2,,,,,,APQPRKLAWCIJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.000.465,200-511-0,61-56-3,Sultiame,"4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide",NS(=O)(=O)c1ccc(cc1)N2CCCCS2(=O)=O,NS(=O)(=O)c1ccc(cc1)N2CCCCS2(=O)=O,"InChI=1/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)",C10H14N2O4S2,,,,,,HMHVCUVYZFYAJI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.469,200-515-2,61-73-4,Methylthioninium chloride,"3,7-bis(dimethylamino)phenothiazin-5-ium chloride",[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,"InChI=1/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1",C16H18N3S.Cl,,,,,,CXKWCBBOMKCUKX-UHFFFAOYSA-M,,,,,,,,,,,
100.002.722,202-993-8,101-97-3,Ethyl phenylacetate,ethyl phenylacetate,CCOC(=O)Cc1ccccc1,CCOC(=O)Cc1ccccc1,"InChI=1/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16453,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.722,DULCUDSUACXJJC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.729,203-001-6,102-05-6,Dibemethine,N-benzyl-N-methyl-1-phenylmethanamine,CN(Cc1ccccc1)Cc2ccccc2,CN(Cc1ccccc1)Cc2ccccc2,"InChI=1/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3",C15H17N,,,,,,WYZDCUGWXKHESN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.730,203-002-1,102-06-7,"1,3-diphenylguanidine","1,3-diphenylguanidine",N=C(Nc1ccccc1)Nc2ccccc2,N=C(Nc1ccccc1)Nc2ccccc2,"InChI=1/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)",C13H13N3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14992,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.730,OWRCNXZUPFZXOS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.350,203-684-0,109-58-0,(2-aminoethyl)carbamic acid,(2-aminoethyl)carbamic acid,NCCNC(=O)O,NCCNC(=O)O,"InChI=1/C3H8N2O2/c4-1-2-5-3(6)7/h5H,1-2,4H2,(H,6,7)",C3H8N2O2,,,,,,RLRHPCKWSXWKBG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.352,203-686-1,109-60-4,Propyl acetate,propyl acetate,CCCOC(=O)C,CCCOC(=O)C,"InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",C5H10O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14329,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.352,YKYONYBAUNKHLG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.356,203-690-3,109-64-8,"1,3-dibromopropane","1,3-dibromopropane",BrCCCBr,BrCCCBr,InChI=1/C3H6Br2/c4-2-1-3-5/h1-3H2,C3H6Br2,,,,,,VEFLKXRACNJHOV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.359,203-694-5,109-67-1,Pent-1-ene,pent-1-ene,CCCC=C,CCCC=C,"InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3",C5H10,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13392,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.359,YWAKXRMUMFPDSH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.364,203-699-2,109-73-9,Butylamine,butan-1-amine,CCCCN,CCCCN,"InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H3",C4H11N,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13605,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.364,HQABUPZFAYXKJW-UHFFFAOYSA-N,Positive,SM817603,[M+H]+,HCD35,57.07:74.0965:53.0024,CASMI_2016,,,,,
100.003.368,203-703-2,109-77-3,Malononitrile,malononitrile,N#CCC#N,N#CCC#N,InChI=1/C3H2N2/c4-2-1-3-5/h1H2,C3H2N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8340,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.368,CUONGYYJJVDODC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.369,203-704-8,109-78-4,3-hydroxypropiononitrile,3-hydroxypropanenitrile,OCCC#N,OCCC#N,"InChI=1/C3H5NO/c4-2-1-3-5/h5H,1,3H2",C3H5NO,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/4744,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.369,WSGYTJNNHPZFKR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.374,203-710-0,109-83-1,2-methylaminoethanol,2-(methylamino)ethanol,CNCCO,CNCCO,"InChI=1/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3",C3H9NO,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13912,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.374,OPKOKAMJFNKNAS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.382,203-718-4,109-92-2,Ethyl vinyl ether,ethoxyethene,CCOC=C,CCOC=C,"InChI=1/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3",C4H8O,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15920,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.382,FJKIXWOMBXYWOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.386,203-723-1,109-96-6,3-pyrroline,"2,5-dihydro-1H-pyrrole",C1NCC=C1,C1NCC=C1,"InChI=1/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2",C4H7N,,,,,,JVQIKJMSUIMUDI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.389,203-726-8,109-99-9,Tetrahydrofuran,tetrahydrofuran,C1CCOC1,C1CCOC1,InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H2,C4H8O,Full,Joint,100000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15474,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.389,WYURNTSHIVDZCO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.402,203-740-4,110-15-6,Succinic acid,succinic acid,OC(=O)CCC(=O)O,OC(=O)CCC(=O)O,"InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",C4H6O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15265,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.402,KDYFGRWQOYBRFD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.403,203-742-5,110-16-7,Maleic acid,but-2-enedioic acid,OC(=O)\\C=C/C(=O)O,OC(=O)\C=C/C(=O)O,"InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)",C4H4O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15769,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.403,VZCYOOQTPOCHFL-UPHRSURJSA-N,,,,,,,,,,,
100.003.122,203-433-5,106-80-9,"Propane-1,2,3-triyl tris[3-(2-acetoxyoctyl)oxiran-2-octanoate]","propane-1,2,3-triyl tris{8-[3-(2-acetoxyoctyl)oxiran-2-yl]octanoate}",CCCCCCC(CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC2OC2CC(CCCCCC)OC(=O)C)OC(=O)CCCCCCCC3OC3CC(CCCCCC)OC(=O)C)OC(=O)C,CCCCCCC(CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC2OC2CC(CCCCCC)OC(=O)C)OC(=O)CCCCCCCC3OC3CC(CCCCCC)OC(=O)C)OC(=O)C,"InChI=1/C63H110O15/c1-7-10-13-25-34-51(72-48(4)64)43-58-55(76-58)37-28-19-16-22-31-40-61(67)70-46-54(75-63(69)42-33-24-18-21-30-39-57-60(78-57)45-53(74-50(6)66)36-27-15-12-9-3)47-71-62(68)41-32-23-17-20-29-38-56-59(77-56)44-52(73-49(5)65)35-26-14-11-8-2/h51-60H,7-47H2,1-6H3",C63H110O15,,,,,,DGIWOGQHXKIJCM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.001,204-400-8,120-48-9,Butyl 4-nitrobenzoate,butyl 4-nitrobenzoate,CCCCOC(=O)c1ccc(cc1)[N+](=O)[O-],CCCCOC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H13NO4/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)12(14)15/h4-7H,2-3,8H2,1H3",C11H13NO4,,,,,,DVTGVOHTTDVRJF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.003,204-402-9,120-51-4,Benzyl benzoate,benzyl benzoate,O=C(OCc1ccccc1)c2ccccc2,O=C(OCc1ccccc1)c2ccccc2,"InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",C14H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13634,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.003,SESFRYSPDFLNCH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.006,204-406-0,120-54-7,Bis(piperidinothiocarbonyl) tetrasulphide,"1,1'-(tetrasulfane-1,4-diyldicarbonothioyl)dipiperidine",S=C(SSSSC(=S)N1CCCCC1)N2CCCCC2,S=C(SSSSC(=S)N1CCCCC1)N2CCCCC2,InChI=1/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2,C12H20N2S6,,,,,,VNDRMZTXEFFQDR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.983,204-381-6,120-24-1,2-methoxy-4-prop-1-enylphenyl phenylacetate,2-methoxy-4-prop-1-en-1-ylphenyl phenylacetate,COc2cc(ccc2OC(=O)Cc1ccccc1)C=CC,COc2cc(ccc2OC(=O)Cc1ccccc1)C=CC,"InChI=1/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3",C18H18O3,,,,,,YYLCMLYMJHKLEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.986,204-384-2,120-29-6,Tropine,8-methyl-8-azabicyclo[3.2.1]octan-3-ol,CN2[C@H]1CC[C@@H]2C[C@H](O)C1,CN2[C@H]1CC[C@@H]2C[C@H](O)C1,"InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3",C8H15NO,,,,,,CYHOMWAPJJPNMW-JIGDXULJSA-N,,,,,,,,,,,
100.003.988,204-386-3,120-33-2,Ethyl m-toluate,ethyl 3-methylbenzoate,CCOC(=O)c1cccc(C)c1,CCOC(=O)c1cccc(C)c1,"InChI=1/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",C10H12O2,,,,,,WSJNYOVBJSOQST-UHFFFAOYSA-N,,,,,,,,,,,
100.003.989,204-387-9,120-34-3,"N-(4-aminophenylsulphonyl)-3,4-dimethylbenzamide","N-[(4-aminophenyl)sulfonyl]-3,4-dimethylbenzamide",Cc1ccc(cc1C)C(=O)NS(=O)(=O)c2ccc(N)cc2,Cc1ccc(cc1C)C(=O)NS(=O)(=O)c2ccc(N)cc2,"InChI=1/C15H16N2O3S/c1-10-3-4-12(9-11(10)2)15(18)17-21(19,20)14-7-5-13(16)6-8-14/h3-9H,16H2,1-2H3,(H,17,18)",C15H16N2O3S,,,,,,LFAXYIHYMGEIHW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.992,204-391-0,120-37-6,3-(ethylamino)-p-cresol,3-(ethylamino)-4-methylphenol,CCNc1cc(O)ccc1C,CCNc1cc(O)ccc1C,"InChI=1/C9H13NO/c1-3-10-9-6-8(11)5-4-7(9)2/h4-6,10-11H,3H2,1-2H3",C9H13NO,,,,,,CTGSQPRDMHCIMM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.993,204-392-6,120-39-8,"Pentyl (2,4,5-trichlorophenoxy)acetate","pentyl (2,4,5-trichlorophenoxy)acetate",CCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C13H15Cl3O3/c1-2-3-4-5-18-13(17)8-19-12-7-10(15)9(14)6-11(12)16/h6-7H,2-5,8H2,1H3",C13H15Cl3O3,,,,,,BNANYJKQNHOIPC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.999,204-398-9,120-46-7,"1,3-diphenylpropane-1,3-dione","1,3-diphenylpropane-1,3-dione",O=C(CC(=O)c1ccccc1)c2ccccc2,O=C(CC(=O)c1ccccc1)c2ccccc2,"InChI=1/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2",C15H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11371,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.999,NZZIMKJIVMHWJC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.003,205-503-0,141-82-2,Malonic acid,malonic acid,OC(=O)CC(=O)O,OC(=O)CC(=O)O,"InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)",C3H4O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17333,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.003,OFOBLEOULBTSOW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.005,205-505-1,141-84-4,Rhodanine,"2-thioxo-1,3-thiazolidin-4-one",O=C1CSC(=S)N1,O=C1CSC(=S)N1,"InChI=1/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)",C3H3NOS2,,,,,,KIWUVOGUEXMXSV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.006,205-506-7,141-85-5,3-chloroanilinium chloride,3-chloroanilinium chloride,[Cl-].[NH3+]c1cccc(Cl)c1,[Cl-].[NH3+]c1cccc(Cl)c1,"InChI=1/C6H6ClN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H",C6H6ClN.ClH,,,,,,NMGHWHCTRGZZOP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.008,205-508-8,141-90-2,2-thiouracil,"2-thioxo-2,3-dihydropyrimidin-4(1H)-one",O=C1\\C=C/NC(=S)N1,O=C1\C=C/NC(=S)N1,"InChI=1/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",C4H4N2OS,,,,,,ZEMGGZBWXRYJHK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.015,205-516-1,141-97-9,Ethyl acetoacetate,ethyl 3-oxobutanoate,CCOC(=O)CC(=O)C,CCOC(=O)CC(=O)C,"InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3",C6H10O3,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1965,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.015,XYIBRDXRRQCHLP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.019,205-520-3,142-08-5,2-pyridone,pyridin-2(1H)-one,O=C1/C=C\\C=C/N1,O=C1/C=C\C=C/N1,"InChI=1/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",C5H5NO,,,,,,UBQKCCHYAOITMY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.696,205-164-9,134-94-1,4-[ethyl(2-hydroxyethyl)amino]benzenediazonium chloride,4-[ethyl(2-hydroxyethyl)amino]benzenediazonium chloride,[Cl-].CCN(CCO)c1ccc(cc1)[N+]#N,[Cl-].CCN(CCO)c1ccc(cc1)[N+]#N,"InChI=1/C10H14N3O.ClH/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;/h3-6,14H,2,7-8H2,1H3;1H/q+1;/p-1",C10H14N3O.Cl,,,,,,LFKVCVGVGODJQN-UHFFFAOYSA-M,,,,,,,,,,,
100.004.697,205-165-4,134-95-2,Calcium dimandelate,calcium bis[hydroxy(phenyl)acetate],[Ca+2].OC(C(=O)[O-])c1ccccc1.OC(C(=O)[O-])c2ccccc2,[Ca+2].OC(C(=O)[O-])c1ccccc1.OC(C(=O)[O-])c2ccccc2,"InChI=1/2C8H8O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2",C8H8O3.1/2Ca,,,,,,GCXSYHGQGJCRRW-UHFFFAOYSA-L,,,,,,,,,,,
100.004.700,205-169-6,135-00-2,Phenyl 2-thienyl ketone,phenyl(2-thienyl)methanone,O=C(c1ccccc1)c2cccs2,O=C(c1ccccc1)c2cccs2,InChI=1/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H,C11H8OS,,,,,,DWYFUJJWTRPARQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.703,205-172-2,135-07-9,Methyclothiazide,"6-chloro-3-(chloromethyl)-2-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",CN1C(CCl)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,CN1C(CCl)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,"InChI=1/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)",C9H11Cl2N3O4S2,,,,,,CESYKOGBSMNBPD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.705,205-174-3,135-10-4,2-amino-5-[[(2-carboxyphenyl)amino]sulphonyl]benzoic acid,2-amino-5-[(2-carboxyphenyl)sulfamoyl]benzoic acid,Nc1ccc(cc1C(=O)O)S(=O)(=O)Nc2ccccc2C(=O)O,Nc1ccc(cc1C(=O)O)S(=O)(=O)Nc2ccccc2C(=O)O,"InChI=1/C14H12N2O6S/c15-11-6-5-8(7-10(11)14(19)20)23(21,22)16-12-4-2-1-3-9(12)13(17)18/h1-7,16H,15H2,(H,17,18)(H,19,20)",C14H12N2O6S,,,,,,JRNYSJXPPZZAQR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.840,203-124-5,103-56-0,Cinnamyl propionate,3-phenylprop-2-en-1-yl propionate,CCC(=O)OC\\C=C\\c1ccccc1,CCC(=O)OC\C=C\c1ccccc1,"InChI=1/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3",C12H14O2,,,,,,KGDJMNKPBUNHGY-RMKNXTFCSA-N,,,,,,,,,,,
100.002.842,203-126-6,103-59-3,Cinnamyl isobutyrate,3-phenylprop-2-en-1-yl 2-methylpropanoate,CC(C)C(=O)OC\\C=C\\c1ccccc1,CC(C)C(=O)OC\C=C\c1ccccc1,"InChI=1/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3",C13H16O2,,,,,,KLKQSZIWHVEARN-RMKNXTFCSA-N,,,,,,,,,,,
100.002.845,203-129-2,103-62-8,4-butylaminophenol,4-(butylamino)phenol,CCCCNc1ccc(O)cc1,CCCCNc1ccc(O)cc1,"InChI=1/C10H15NO/c1-2-3-8-11-9-4-6-10(12)7-5-9/h4-7,11-12H,2-3,8H2,1H3",C10H15NO,,,,,,VAMBUGIXOVLJEA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.853,203-138-1,103-72-0,Phenyl isothiocyanate,isothiocyanatobenzene,S=C=N/c1ccccc1,S=C=N/c1ccccc1,InChI=1/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H,C7H5NS,,,,,,QKFJKGMPGYROCL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.856,203-141-8,103-75-3,"3,4-dihydro-2H-pyran-2-yl ethyl ether","2-ethoxy-3,4-dihydro-2H-pyran",CCOC1CCC=CO1,CCOC1CCC=CO1,"InChI=1/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3",C7H12O2,,,,,,VZJFPIXCMVSTID-UHFFFAOYSA-N,,,,,,,,,,,
100.002.857,203-142-3,103-76-4,2-piperazin-1-ylethanol,2-piperazin-1-ylethanol,OCCN1CCNCC1,OCCN1CCNCC1,"InChI=1/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2",C6H14N2O,,,,,,WFCSWCVEJLETKA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.858,203-143-9,103-78-6,Cyclohexylacetone,1-cyclohexylacetone,CC(=O)CC1CCCCC1,CC(=O)CC1CCCCC1,"InChI=1/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3",C9H16O,,,,,,UHBZEAPZATVYKV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.860,203-146-5,103-80-0,Phenylacetyl chloride,phenylacetyl chloride,ClC(=O)Cc1ccccc1,ClC(=O)Cc1ccccc1,"InChI=1/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2",C8H7ClO,,,,,,VMZCDNSFRSVYKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.865,203-151-2,103-85-5,Phenyl-2-thiourea,1-phenylthiourea,NC(=S)Nc1ccccc1,NC(=S)Nc1ccccc1,"InChI=1/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",C7H8N2S,,,,,,FULZLIGZKMKICU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.866,203-152-8,103-86-6,4-(2-aminopropyl)phenol,4-(2-aminopropyl)phenol,CC(N)Cc1ccc(O)cc1,CC(N)Cc1ccc(O)cc1,"InChI=1/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3",C9H13NO,,,,,,GIKNHHRFLCDOEU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.868,203-154-9,103-88-8,4'-bromoacetanilide,N-(4-bromophenyl)acetamide,CC(=O)Nc1ccc(Br)cc1,CC(=O)Nc1ccc(Br)cc1,"InChI=1/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",C8H8BrNO,,,,,,MSLICLMCQYQNPK-UHFFFAOYSA-N,Positive/Negative,SM825601,[M+H]+,HCD35,93.0573:213.9861:171.9756,CASMI_2016,SM825651,[M-H]-,HCD35,211.9717:169.9611,CASMI_2016
100.002.869,203-155-4,103-89-9,4'-methylacetanilide,N-(4-methylphenyl)acetamide,CC(=O)Nc1ccc(C)cc1,CC(=O)Nc1ccc(C)cc1,"InChI=1/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)",C9H11NO,,,,,,YICAMJWHIUMFDI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.870,203-157-5,103-90-2,Paracetamol,N-(4-hydroxyphenyl)acetamide,CC(=O)Nc1ccc(O)cc1,CC(=O)Nc1ccc(O)cc1,"InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",C8H9NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12532,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.870,RZVAJINKPMORJF-UHFFFAOYSA-N,Positive/Negative,AU112601;SM805001;SM866701;EA024301|EA024302|EA024303|EA024304|EA024305|EA024306|EA024307|EA024308|EA024309|EA024310|EA024311|EA024312|EA024313|EA024314;UF409101|UF409102|UF409103|UF409104,[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID16.3-24.4;HCD35;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,152.0716:110.0622:65.0389;152.0706:110.06:93.0335;152.0705:110.06:93.0335;152.0707:110.0601:134.0601|152.0708:110.06|152.0707:110.0601:134.0603|152.0707:110.0601:134.0602|110.0601:152.0706:92.0495|110.0601:65.0386:93.0335|110.0601:65.0386:93.0335|152.0707:110.06|152.0706:110.0601:65.0384|152.0706:110.0601:134.06|110.0601:152.0706:65.0386|110.0601:65.0386:93.0335|110.06:65.0386:92.0495|152.0706:110.06:134.06;110.06:152.0707:92.0495|110.06:92.0495:93.0336|110.0601:134.0602:152.0709|110.06:134.0602:111.0443,Athens_Univ;CASMI_2016;CASMI_2016;Eawag;UFZ,EA024351|EA024352|EA024353|EA024354|EA024355|EA024356|EA024357|EA024358|EA024359|EA024360|EA024361|EA024362|EA024364,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,150.0562:107.0376|150.056|150.0563|150.0561:107.0375|107.0377:150.0561|107.0376|107.0375|150.0561|150.056|150.0559:107.0374|107.0375:150.056|107.0374|150.056:107.0375,Eawag
100.002.872,203-159-6,103-93-5,p-tolyl isobutyrate,4-methylphenyl 2-methylpropanoate,CC(C)C(=O)Oc1ccc(C)cc1,CC(C)C(=O)Oc1ccc(C)cc1,"InChI=1/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3",C11H14O2,,,,,,UPPSFGGDKACIKP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.875,203-162-2,103-96-8,"N,N'-bis(1-methylheptyl)-p-phenylenediamine","N,N'-bis(1-methylheptyl)benzene-1,4-diamine",CCCCCCC(C)Nc1ccc(NC(C)CCCCCC)cc1,CCCCCCC(C)Nc1ccc(NC(C)CCCCCC)cc1,"InChI=1/C22H40N2/c1-5-7-9-11-13-19(3)23-21-15-17-22(18-16-21)24-20(4)14-12-10-8-6-2/h15-20,23-24H,5-14H2,1-4H3",C22H40N2,,,,,,APTGHASZJUAUCP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.876,203-163-8,103-97-9,2-amino-N-(p-ethoxyphenyl)acetamide,N-(4-ethoxyphenyl)glycinamide,CCOc1ccc(NC(=O)CN)cc1,CCOc1ccc(NC(=O)CN)cc1,"InChI=1/C10H14N2O2/c1-2-14-9-5-3-8(4-6-9)12-10(13)7-11/h3-6H,2,7,11H2,1H3,(H,12,13)",C10H14N2O2,,,,,,LQJARUQXWJSDFL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.877,203-164-3,103-98-0,N-(4-hydroxyphenyl)dodecanamide,N-(4-hydroxyphenyl)dodecanamide,CCCCCCCCCCCC(=O)Nc1ccc(O)cc1,CCCCCCCCCCCC(=O)Nc1ccc(O)cc1,"InChI=1/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-16-12-14-17(20)15-13-16/h12-15,20H,2-11H2,1H3,(H,19,21)",C18H29NO2,,,,,,JVKWTDRHWOSRFT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.883,203-171-1,104-07-4,Cyclohexyl stearate,cyclohexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC1CCCCC1,CCCCCCCCCCCCCCCCCC(=O)OC1CCCCC1,"InChI=1/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h23H,2-22H2,1H3",C24H46O2,,,,,,NRVKWKPZZQHRSP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.889,203-177-4,104-13-2,4-butylaniline,4-butylaniline,CCCCc1ccc(N)cc1,CCCCc1ccc(N)cc1,"InChI=1/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3",C10H15N,,,,,,OGIQUQKNJJTLSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.478,200-525-7,62-13-5,"[2-(3,4-dihydroxyphenyl)-2-oxoethyl]methylammonium chloride","2-(3,4-dihydroxyphenyl)-N-methyl-2-oxoethanaminium chloride",[Cl-].C[NH2+]CC(=O)c1ccc(O)c(O)c1,[Cl-].C[NH2+]CC(=O)c1ccc(O)c(O)c1,"InChI=1/C9H11NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,10-12H,5H2,1H3;1H",C9H11NO3.ClH,,,,,,CSRRBDMYOUQTCO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.481,200-528-3,62-32-8,"3,4-dihydroxyphenethylmethylammonium chloride","2-(3,4-dihydroxyphenyl)-N-methylethanaminium chloride",[Cl-].C[NH2+]CCc1ccc(O)c(O)c1,[Cl-].C[NH2+]CCc1ccc(O)c(O)c1,"InChI=1/C9H13NO2.ClH/c1-10-5-4-7-2-3-8(11)9(12)6-7;/h2-3,6,10-12H,4-5H2,1H3;1H",C9H13NO2.ClH,,,,,,JCDRZCWRRLKLTB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.485,200-533-0,62-44-2,Phenacetin,N-(4-ethoxyphenyl)acetamide,CCOc1ccc(NC(=O)C)cc1,CCOc1ccc(NC(=O)C)cc1,"InChI=1/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",C10H13NO2,,,,,,CPJSUEIXXCENMM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.488,200-536-7,62-50-0,Ethyl methanesulphonate,ethyl methanesulfonate,CCOS(=O)(=O)C,CCOS(=O)(=O)C,"InChI=1/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3",C3H8O3S,,,,,,PLUBXMRUUVWRLT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.493,200-541-4,62-55-5,Thioacetamide,ethanethioamide,CC(=S)N,CC(=S)N,"InChI=1/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)",C2H5NS,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1779,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.493,YUKQRDCYNOVPGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.495,200-544-0,62-57-7,2-amino-2-methylpropionic acid,2-methylalanine,CC(C)(N)C(=O)O,CC(C)(N)C(=O)O,"InChI=1/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",C4H9NO2,,,,,,FUOOLUPWFVMBKG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.497,200-546-1,62-67-9,Nalorphine,"17-allyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol",O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45,O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45,"InChI=1/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2",C19H21NO3,,,,,,UIQMVEYFGZJHCZ-SSTWWWIQSA-N,,,,,,,,,,,
100.000.498,200-547-7,62-73-7,Dichlorvos,"2,2-dichlorovinyl dimethyl phosphate",COP(=O)(OC)OC=C(Cl)Cl,COP(=O)(OC)OC=C(Cl)Cl,"InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",C4H7Cl2O4P,,,,,,OEBRKCOSUFCWJD-UHFFFAOYSA-N,Positive/Negative,SM847202;EQ304701|EQ304702|EQ304703|EQ304704|EQ304705|EQ304706;UF400101|UF400102|UF400103|UF400104,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD55|HCD80|CID35|CID55,127.0154:220.9531:78.9943;220.953:127.0154:144.9815|127.0154:220.9531:144.9815|127.0154:78.9943:220.9531|127.0155:78.9943:112.9998|127.0154:78.9943:112.9998|127.0154:78.9943:112.9998;127.0153:109.0048:78.9942|127.0154:78.9943:109.0048|109.0048:144.9815:127.0154|144.9815:109.0048:127.0154,CASMI_2016;Eawag;UFZ,EQ304751|EQ304752|EQ304753|EQ304754|EQ304755|EQ304756,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,131.0135:89.0244:88.0088|131.0136:89.0244:88.0088|131.0136:89.0244|131.0136:89.0244:160.9767|131.0136:160.9767:89.0244|131.0136:89.0243,Eawag
100.000.504,200-554-5,63-05-8,"Androst-4-ene-3,17-dione","androst-4-ene-3,17-dione",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O,"InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3",C19H26O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13632,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.504,AEMFNILZOJDQLW-QAGGRKNESA-N,Positive,SM873201,[M+H]+,HCD35,287.2005:97.0648:109.0648,CASMI_2016,,,,,
100.000.505,200-555-0,63-25-2,Carbaryl,1-naphthyl methylcarbamate,CNC(=O)Oc1cccc2ccccc12,CNC(=O)Oc1cccc2ccccc12,"InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)",C12H11NO2,,,,,,CVXBEEMKQHEXEN-UHFFFAOYSA-N,Positive/Negative,SM848601;EQ303801|EQ303802|EQ303803|EQ303804|EQ303805|EQ303806,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,145.0647:117.0699:155.0603;145.0649:117.0698:58.0288|145.0649:117.0698:155.0603|145.0647:117.0697:155.0601|145.0649:117.0698:155.0603|145.0648:117.0698:155.0603|145.0648:117.0697:155.0602,CASMI_2016;Eawag,EQ303851|EQ303852|EQ303853|EQ303854|EQ303855|EQ303856,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,200.0717:143.0501:182.0614|143.0502:200.0717:182.0617|143.0502:200.0718:182.0613|143.0502:168.0455:200.0716|143.0502:168.0455:115.0553|143.0502:168.0455:115.0554,Eawag
100.000.507,200-557-1,63-38-7,Cytidine 5'-(trihydrogen diphosphate),4-amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}pyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O,"InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)",C9H15N3O11P2,,,,,,ZWIADYZPOWUWEW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.512,200-562-9,63-68-3,L-methionine,L-methionine,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O,"InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2S,,,,,,FFEARJCKVFRZRR-BYPYZUCNSA-N,,,,,,,,,,,
100.000.514,200-565-5,63-75-2,Arecoline,"methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate",COC(=O)C1=CCCN(C)C1,COC(=O)C1=CCCN(C)C1,"InChI=1/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3",C8H13NO2,,,,,,HJJPJSXJAXAIPN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.014,204-414-4,120-66-1,2'-methylacetanilide,N-(2-methylphenyl)acetamide,CC(=O)Nc1ccccc1C,CC(=O)Nc1ccccc1C,"InChI=1/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)",C9H11NO,,,,,,BPEXTIMJLDWDTL-UHFFFAOYSA-N,Positive,SM801601,[M+H]+,HCD35,108.0807:150.0913:93.0573,CASMI_2016,,,,,
100.004.018,204-419-1,120-71-8,6-methoxy-m-toluidine,2-methoxy-5-methylaniline,COc1ccc(C)cc1N,COc1ccc(C)cc1N,"InChI=1/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3",C8H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14512,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.018,WXWCDTXEKCVRRO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.020,204-421-2,120-73-0,Purine,9H-purine,c1ncc2nc[nH]c2n1,c1ncc2nc[nH]c2n1,"InChI=1/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)",C5H4N4,,,,,,KDCGOANMDULRCW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.023,204-424-9,120-78-5,Di(benzothiazol-2-yl) disulphide,"2,2'-disulfanediylbis(1,3-benzothiazole)",S(Sc1nc2ccccc2s1)c3nc4ccccc4s3,S(Sc1nc2ccccc2s1)c3nc4ccccc4s3,InChI=1/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H,C14H8N2S4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14884,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.023,AFZSMODLJJCVPP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.024,204-425-4,120-79-6,"N,N'-dimethyldithiooxamide","N,N'-bis(methyldisulfanyl)ethanediamide",CSSNC(=O)C(=O)NSSC,CSSNC(=O)C(=O)NSSC,"InChI=1/C4H8N2O2S4/c1-9-11-5-3(7)4(8)6-12-10-2/h1-2H3,(H,5,7)(H,6,8)",C4H8N2S2,,,,,,KFIQHKNJGNRGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.036,204-439-0,120-95-6,"2,4-di-tert-pentylphenol","2,4-bis(1,1-dimethylpropyl)phenol",CCC(C)(C)c1ccc(O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(O)c(c1)C(C)(C)CC,"InChI=1/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3",C16H26O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17246,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.036,WMVJWKURWRGJCI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.037,204-440-6,120-97-8,Diclofenamide,"4,5-dichlorobenzene-1,3-disulfonamide",NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N,NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N,"InChI=1/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)",C6H6Cl2N2O4S2,,,,,,GJQPMPFPNINLKP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.041,204-444-8,121-02-8,4-nitrotoluene-2-sulphonyl chloride,2-methyl-5-nitrobenzenesulfonyl chloride,Cc1ccc(cc1S(=O)(=O)Cl)[N+](=O)[O-],Cc1ccc(cc1S(=O)(=O)Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3",C7H6ClNO4S,,,,,,WPGVQDHXOUAJBW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.045,204-449-5,121-13-1,5-diazosalicylic acid,"3-diazo-6-hydroxycyclohexa-1,4-diene-1-carboxylic acid",OC1C=CC(=[N+]=[N-])C=C1C(=O)O,OC1C=CC(=[N+]=[N-])C=C1C(=O)O,"InChI=1/C7H6N2O3/c8-9-4-1-2-6(10)5(3-4)7(11)12/h1-3,6,10H,(H,11,12)",C7H4N2O3,,,,,,JXZFHXISNKUPLK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.793,203-071-8,103-02-6,Acetone phenylhydrazone,1-isopropylidene-2-phenylhydrazine,CC(=NNc1ccccc1)C,CC(=NNc1ccccc1)C,"InChI=1/C9H12N2/c1-8(2)10-11-9-6-4-3-5-7-9/h3-7,11H,1-2H3",C9H12N2,,,,,,JQLKSEQEILIJEG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.800,203-079-1,103-09-3,2-ethylhexyl acetate,2-ethylhexyl acetate,CCCCC(CC)COC(=O)C,CCCCC(CC)COC(=O)C,"InChI=1/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3",C10H20O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16078,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.800,WOYWLLHHWAMFCB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.804,203-083-3,103-16-2,Monobenzone,4-(benzyloxy)phenol,Oc1ccc(OCc2ccccc2)cc1,Oc1ccc(OCc2ccccc2)cc1,"InChI=1/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2",C13H12O2,,,,,,VYQNWZOUAUKGHI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.807,203-087-5,103-19-5,Di-p-tolyl disulphide,"1,1'-disulfanediylbis(4-methylbenzene)",Cc1ccc(SSc2ccc(C)cc2)cc1,Cc1ccc(SSc2ccc(C)cc2)cc1,"InChI=1/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14S2,,,,,,TZOVOULUMXXLOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.808,203-088-0,103-20-8,7-ethyl-2-methylundecan-4-ol,7-ethyl-2-methylundecan-4-ol,CCCCC(CC)CCC(O)CC(C)C,CCCCC(CC)CCC(O)CC(C)C,"InChI=1/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3",C14H30O,,,,,,JKKBSZCOVNFRCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.810,203-090-1,103-23-1,Bis(2-ethylhexyl) adipate,bis(2-ethylhexyl) adipate,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,"InChI=1/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3",C22H42O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15293,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.810,SAOKZLXYCUGLFA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.814,203-094-3,103-27-5,Phenylmercury propionate,phenylmercury(1+) propionate,CCC(=O)[O-].[Hg+]c1ccccc1,CCC(=O)[O-].[Hg+]c1ccccc1,"InChI=1/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1/rC6H5Hg.C3H6O2/c7-6-4-2-1-3-5-6;1-2-3(4)5/h1-5H;2H2,1H3,(H,4,5)/q+1;/p-1",C9H10HgO2,,,,,,OOCYPIXCHKROMD-UHFFFAOYSA-M,,,,,,,,,,,
100.002.818,203-099-0,103-31-1,4-styrylpyridine,4-(2-phenylvinyl)pyridine,C(=C\\c1ccncc1)/c2ccccc2,C(=C\c1ccncc1)/c2ccccc2,InChI=1/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H,C13H11N,,,,,,QKHRGPYNTXRMSL-VOTSOKGWSA-N,,,,,,,,,,,
100.002.827,203-109-3,103-41-3,Benzyl cinnamate,benzyl 3-phenylacrylate,O=C(OCc1ccccc1)\\C=C\\c2ccccc2,O=C(OCc1ccccc1)\C=C\c2ccccc2,"InChI=1/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2",C16H14O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16792,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.827,NGHOLYJTSCBCGC-VAWYXSNFSA-N,,,,,,,,,,,
100.002.829,203-111-4,103-44-6,2-ethylhexyl vinyl ether,2-ethylhexyl vinyl ether,CCCCC(CC)COC=C,CCCCC(CC)COC=C,"InChI=1/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3",C10H20O,,,,,,DSSAWHFZNWVJEC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.708,205-178-5,135-13-7,2-[(carboxymethyl)thio]benzoic acid,2-[(carboxymethyl)sulfanyl]benzoic acid,OC(=O)CSc1ccccc1C(=O)O,OC(=O)CSc1ccccc1C(=O)O,"InChI=1/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)",C9H8O4S,,,,,,GMBZSYUPMWCDGK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.712,205-182-7,135-19-3,2-naphthol,2-naphthol,Oc1ccc2ccccc2c1,Oc1ccc2ccccc2c1,"InChI=1/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",C10H8O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1314,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.712,JWAZRIHNYRIHIV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.714,205-184-8,135-23-9,Methapyrilene hydrochloride,"N,N-dimethyl-N'-pyridin-2-yl-N'-(2-thienylmethyl)ethane-1,2-diamine hydrochloride",Cl.CN(C)CCN(Cc1cccs1)c2ccccn2,Cl.CN(C)CCN(Cc1cccs1)c2ccccn2,"InChI=1/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H",C14H19N3S.ClH,,,,,,BONORRGKLJBGRV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.716,205-186-9,135-36-4,(1-phenylpentyl) hydrogen succinate,4-oxo-4-[(1-phenylpentyl)oxy]butanoic acid,CCCCC(OC(=O)CCC(=O)O)c1ccccc1,CCCCC(OC(=O)CCC(=O)O)c1ccccc1,"InChI=1/C15H20O4/c1-2-3-9-13(12-7-5-4-6-8-12)19-15(18)11-10-14(16)17/h4-8,13H,2-3,9-11H2,1H3,(H,16,17)",C15H20O4,,,,,,NIACDRXJTWKKRD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.727,205-198-4,135-53-5,"Sodium 6,7-dihydroxynaphthalene-2-sulphonate","sodium 6,7-dihydroxynaphthalene-2-sulfonate",[Na+].Oc1cc2ccc(cc2cc1O)S(=O)(=O)[O-],[Na+].Oc1cc2ccc(cc2cc1O)S(=O)(=O)[O-],"InChI=1/C10H8O5S.Na/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12;/h1-5,11-12H,(H,13,14,15);/q;+1/p-1",C10H8O5S.Na,,,,,,JFXDYPLHFRYDJD-UHFFFAOYSA-M,,,,,,,,,,,
100.004.728,205-200-3,135-55-7,Sodium 7-hydroxynaphthalene-2-sulphonate,sodium 7-hydroxynaphthalene-2-sulfonate,[Na+].Oc1ccc2ccc(cc2c1)S(=O)(=O)[O-],[Na+].Oc1ccc2ccc(cc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,IVXSQYUPCUOMRV-UHFFFAOYSA-M,,,,,,,,,,,
100.004.739,205-212-9,135-69-3,"1-(4'-nitro[1,1'-biphenyl]-4-yl)ethan-1-one",1-(4'-nitrobiphenyl-4-yl)ethanone,CC(=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],CC(=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C14H11NO3/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(17)18/h2-9H,1H3",C14H11NO3,,,,,,CVSGKJVJFSEPSO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.395,204-833-2,127-31-1,Fludrocortisone,"9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione",C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3",C21H29FO5,,,,,,AAXVEMMRQDVLJB-BULBTXNYSA-N,,,,,,,,,,,
100.004.397,204-835-3,127-35-5,Phenazocine,"6,11-dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc4ccccc4,CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc4ccccc4,"InChI=1/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3",C22H27NO,,,,,,ZQHYKVKNPWDQSL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.401,204-840-0,127-40-2,"ß,e-carotene-3,3'-diol","4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=CC1C(=CC(O)CC1(C)C)C)\\C=C\\C=C(/C)\\C=C\\C2=C(C)CC(O)CC2(C)C,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC1C(=CC(O)CC1(C)C)C)\C=C\C=C(/C)\C=C\C2=C(C)CC(O)CC2(C)C,"InChI=1/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3",C40H56O2,,,,,,KBPHJBAIARWVSC-YVPMVMGXSA-N,,,,,,,,,,,
100.004.405,204-844-2,127-47-9,Retinyl acetate,O~15~-acetylretinoic acid,CC(=O)OC(=O)\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C,CC(=O)OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C22H30O3/c1-16(9-7-10-17(2)15-21(24)25-19(4)23)12-13-20-18(3)11-8-14-22(20,5)6/h7,9-10,12-13,15H,8,11,14H2,1-6H3",C22H32O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1970,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.405,DJYTWZQQWMOATO-DXYSAURFSA-N,,,,,,,,,,,
100.004.406,204-845-8,127-48-0,Trimethadione,"3,5,5-trimethyl-1,3-oxazolidine-2,4-dione",CN1C(=O)OC(C)(C)C1=O,CN1C(=O)OC(C)(C)C1=O,InChI=1/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3,C6H9NO3,,,,,,IRYJRGCIQBGHIV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.412,204-852-6,127-60-6,Acediasulfone sodium,-,[Na+].Nc1ccc(cc1)S(=O)(=O)c2ccc(NCC(=O)O)cc2,[Na+].Nc1ccc(cc1)S(=O)(=O)c2ccc(NCC(=O)O)cc2,"InChI=1/C14H14N2O4S.Na/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18;/h1-8,16H,9,15H2,(H,17,18);/q;+1",C14H14N2O4S.Na,,,,,,GPNYXGDUKNYCNI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.413,204-853-1,127-63-9,Diphenyl sulphone,"1,1'-sulfonyldibenzene",O=S(=O)(c1ccccc1)c2ccccc2,O=S(=O)(c1ccccc1)c2ccccc2,"InChI=1/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10O2S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13714,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.413,KZTYYGOKRVBIMI-UHFFFAOYSA-N,Positive,SM808701,[M+H]+,HCD35,219.0475:141.0004:95.0491,CASMI_2016,,,,,
100.004.418,204-858-9,127-69-5,Sulfafurazole,"4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide",Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,"InChI=1/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",C11H13N3O3S,,,,,,NHUHCSRWZMLRLA-UHFFFAOYSA-N,Positive/Negative,mzcloud:2199,[M+H]+;[2M+H]+;[M+Na]+;[2M+Na]+,HCD_Averaged,65.0386:68.04948:80.0495:92.0495:108.0444:156.01135:71.06036:96.04439:110.0600:113.0709,HighChem,mzcloud:2199,[M-H]-,HCD_Averaged,61.9706:63.9625:78.9734:79.9812:92.05057:107.0377:108.0455:156.01246:171.02335:221.0390:239.0496,HighChem
100.002.896,203-185-8,104-21-2,p-methoxybenzyl acetate,4-methoxybenzyl acetate,COc1ccc(COC(=O)C)cc1,COc1ccc(COC(=O)C)cc1,"InChI=1/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3",C10H12O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16832,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.896,HFNGYHHRRMSKEU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.898,203-187-9,104-23-4,4'-aminoazobenzene-4-sulphonic acid,4-[(4-aminophenyl)diazenyl]benzenesulfonic acid,Nc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,Nc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,"InChI=1/C12H11N3O3S/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18/h1-8H,13H2,(H,16,17,18)",C12H11N3O3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5637,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.898,PPVRMPPLECDING-UHFFFAOYSA-N,,,,,,,,,,,
100.002.899,203-188-4,104-24-5,4-phenylazobenzoyl chloride,4-(phenyldiazenyl)benzoyl chloride,ClC(=O)c2ccc(N=Nc1ccccc1)cc2,ClC(=O)c2ccc(N=Nc1ccccc1)cc2,InChI=1/C13H9ClN2O/c14-13(17)10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9H,C13H9ClN2O,,,,,,RYMHZBAYPLCCAC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.900,203-190-5,104-27-8,1-(4-methoxyphenyl)pent-1-en-3-one,1-(4-methoxyphenyl)pent-1-en-3-one,COc1ccc(C=CC(=O)CC)cc1,COc1ccc(C=CC(=O)CC)cc1,"InChI=1/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3",C12H14O2,,,,,,SLDQOBRACOQXGE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.905,203-195-2,104-32-5,Propamidine,"4,4'-[propane-1,3-diylbis(oxy)]dibenzenecarboximidamide",NC(=N)c1ccc(OCCCOc2ccc(cc2)C(=N)N)cc1,NC(=N)c1ccc(OCCCOc2ccc(cc2)C(=N)N)cc1,"InChI=1/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)",C17H20N4O2,,,,,,WTFXJFJYEJZMFO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.909,203-199-4,104-40-5,p-nonylphenol,4-nonylphenol,CCCCCCCCCc1ccc(O)cc1,CCCCCCCCCc1ccc(O)cc1,"InChI=1/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3",C15H24O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17497,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.909,IGFHQQFPSIBGKE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.914,203-205-5,104-46-1,Anethole,1-methoxy-4-prop-1-en-1-ylbenzene,COc1ccc(C=CC)cc1,COc1ccc(C=CC)cc1,"InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",C10H12O,,,,,,RUVINXPYWBROJD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.915,203-206-0,104-47-2,4-methoxyphenylacetonitrile,(4-methoxyphenyl)acetonitrile,COc1ccc(CC#N)cc1,COc1ccc(CC#N)cc1,"InChI=1/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3",C9H9NO,,,,,,PACGLQCRGWFBJH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.922,203-213-9,104-55-2,Cinnamaldehyde,3-phenylacrylaldehyde,O=C\\C=C\\c1ccccc1,O=C\C=C\c1ccccc1,InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H,C9H8O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14462,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.922,KJPRLNWUNMBNBZ-QPJJXVBHSA-N,,,,,,,,,,,
100.002.924,203-216-5,104-58-5,Piperidine-1-propanol,3-piperidin-1-ylpropan-1-ol,OCCCN1CCCCC1,OCCCN1CCCCC1,"InChI=1/C8H17NO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-8H2",C8H17NO,,,,,,PLRXAFVBCHEMGD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.925,203-217-0,104-59-6,Phenylmercury stearate,phenylmercury(1+) stearate,CCCCCCCCCCCCCCCCCC(=O)[O-].[Hg+]c1ccccc1,CCCCCCCCCCCCCCCCCC(=O)[O-].[Hg+]c1ccccc1,"InChI=1/C18H36O2.C6H5.Hg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1;/h2-17H2,1H3,(H,19,20);1-5H;/q;;+1/p-1/rC18H36O2.C6H5Hg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-6-4-2-1-3-5-6/h2-17H2,1H3,(H,19,20);1-5H/q;+1/p-1",C24H40HgO2,,,,,,CZXFRQGYSLUIRC-UHFFFAOYSA-M,,,,,,,,,,,
100.002.934,203-227-5,104-68-7,2-(2-phenoxyethoxy)ethanol,2-(2-phenoxyethoxy)ethanol,OCCOCCOc1ccccc1,OCCOCCOc1ccccc1,"InChI=1/C10H14O3/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,11H,6-9H2",C10H14O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12118,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.934,ZUAURMBNZUCEAF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.945,203-239-0,104-80-3,"2,5-anhydro-3,4-dideoxyhexitol","2,5-anhydro-3,4-dideoxyhexitol",OCC1CCC(CO)O1,OCC1CCC(CO)O1,"InChI=1/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2",C6H12O3,,,,,,YCZZQSFWHFBKMU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.948,203-242-7,104-83-6,"a,4-dichlorotoluene",1-chloro-4-(chloromethyl)benzene,ClCc1ccc(Cl)cc1,ClCc1ccc(Cl)cc1,"InChI=1/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",C7H6Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5414,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.948,JQZAEUFPPSRDOP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.952,203-246-9,104-87-0,p-tolualdehyde,4-methylbenzaldehyde,Cc1ccc(C=O)cc1,Cc1ccc(C=O)cc1,"InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",C8H8O,,,,,,FXLOVSHXALFLKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.956,203-251-6,104-91-6,4-nitrosophenol,4-nitrosophenol,Oc1ccc(cc1)N=O,Oc1ccc(cc1)N=O,"InChI=1/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H",C6H5NO2,,,,,,JSTCPNFNKICNNO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.959,203-254-2,104-94-9,p-anisidine,4-methoxyaniline,COc1ccc(N)cc1,COc1ccc(N)cc1,"InChI=1/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3",C7H9NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17660,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.959,BHAAPTBBJKJZER-UHFFFAOYSA-N,,,,,,,,,,,
100.000.134,200-146-7,52-62-0,Pentolonium tartrate,"1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) bis(3-carboxy-2,3-dihydroxypropanoate)",C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O,"InChI=1/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2",C15H32N2.2C4H5O6,,,,,,HSMKTIKKPMTUQH-WBPXWQEISA-L,,,,,,,,,,,
100.000.137,200-149-3,52-68-6,Trichlorfon,"dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate",COP(=O)(OC)C(O)C(Cl)(Cl)Cl,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,"InChI=1/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3",C4H8Cl3O4P,,,,,,NFACJZMKEDPNKN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.139,200-151-4,52-76-6,Lynestrenol,17-ethynylestr-4-en-17-ol,C[C@]43CC[C@H]2[C@@H](CC\\C1=C\\CCC[C@@H]12)[C@@H]4CC[C@@]3(O)C#C,C[C@]43CC[C@H]2[C@@H](CC\C1=C\CCC[C@@H]12)[C@@H]4CC[C@@]3(O)C#C,"InChI=1/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3",C20H28O,,,,,,YNVGQYHLRCDXFQ-XGXHKTLJSA-N,,,,,,,,,,,
100.000.146,200-159-8,53-02-1,"3a,11ß,17,21-tetrahydroxy-5ß-pregnan-20-one","3,11,17,21-tetrahydroxypregnan-20-one",C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3",C21H34O5,,,,,,AODPIQQILQLWGS-GXBDJPPSSA-N,,,,,,,,,,,
100.000.156,200-170-8,53-34-9,Fluprednisolone,"6-fluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione",OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H](F)\\C1=C\\C(=O)\\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H](F)\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,"InChI=1/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3",C21H27FO5,,,,,,MYYIMZRZXIQBGI-HVIRSNARSA-N,,,,,,,,,,,
100.000.158,200-172-9,53-39-4,Oxandrolone,"7-hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one",C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3",C19H30O3,,,,,,QSLJIVKCVHQPLV-PEMPUTJUSA-N,,,,,,,,,,,
100.000.159,200-173-4,53-41-8,Androsterone,3-hydroxyandrostan-17-one,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O,"InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3",C19H30O2,,,,,,QGXBDMJGAMFCBF-HLUDHZFRSA-N,Positive,UF416603|UF416604,[M+H]+,CID35|CID55,273.221|273.2209,UFZ,,,,,
100.000.171,200-187-0,53-89-4,Benzpiperylone,"4-benzyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one",CN1CCC(CC1)N2NC(=C(Cc3ccccc3)C2=O)c4ccccc4,CN1CCC(CC1)N2NC(=C(Cc3ccccc3)C2=O)c4ccccc4,"InChI=1/C22H25N3O/c1-24-14-12-19(13-15-24)25-22(26)20(16-17-8-4-2-5-9-17)21(23-25)18-10-6-3-7-11-18/h2-11,19,23H,12-16H2,1H3",C22H25N3O,,,,,,KMGARVOVYXNAOF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.173,200-189-1,54-03-5,Hexobendine,"ethane-1,2-diylbis[(methylimino)propane-3,1-diyl] bis(3,4,5-trimethoxybenzoate)",COc1cc(cc(OC)c1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2,COc1cc(cc(OC)c1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2,"InChI=1/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3",C30H44N2O10,,,,,,KRQAMFQCSAJCRH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.185,200-203-6,54-31-9,Furosemide,4-chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoic acid,NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl,NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl,"InChI=1/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",C12H11ClN2O5S,,,,,,ZZUFCTLCJUWOSV-UHFFFAOYSA-N,Positive/Negative,SM850104;EA260001|EA260002|EA260003|EA260004|EA260005|EA260006|EA260007|EA260008|EA260009|EA260010|EA260011|EA260012|EA260013|EA260014;UF407803|UF407804,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;CID35|CID55,81.0335:53.0388:205.0101;252.9968:254.9935:176.9887|81.0335:98.984:176.9892|81.0335:98.9841|98.9841:81.0335|98.9841:81.0334|98.9841:81.0334|98.984:81.0333:195.9484|81.0334:98.9841:252.9966|98.9841:81.0334:262.9888|98.9841:81.0334|98.9841:81.0334|98.9841:81.0334|98.9841:81.0335|252.9969:254.9939:176.9891;272.9385:244.944|272.9388:244.9434,CASMI_2016;Eawag;UFZ,SM850151;EA260051|EA260052|EA260053|EA260054|EA260055|EA260056|EA260057|EA260058|EA260059|EA260060|EA260061|EA260062|EA260063|EA260064;UF407851|UF407852|UF407853|UF407854,[M-H]-;[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,204.9843:285.0106:329.0004;285.0109:204.9846:249.0339|329.0007:285.0111|285.0109:204.9846:329.0007|204.9846:77.9656:285.0108|77.9656:204.9846:126.0118|77.9656:126.0117:121.041|77.9655:94.0297:121.0404|329.0007:285.0105|285.0106:204.9845:329.0003|204.9845:77.9656:285.0103|77.9655:204.9845:126.0116|77.9656:126.0117:121.0407|77.9656:121.0405:126.0117|285.0107:204.9842:249.0336;285.0106|285.0111:204.9844|285.0106:204.9842|285.0105:204.9844,CASMI_2016;Eawag;UFZ
100.000.186,200-204-1,54-32-0,Moxisylyte,4-[2-(dimethylamino)ethoxy]-5-isopropyl-2-methylphenyl acetate,CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C,CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C,"InChI=1/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3",C16H25NO3,,,,,,VRYMTAVOXVTQEF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.192,200-210-4,54-64-8,Thiomersal,sodium ethyl[2-(sulfanyl-kappaS)benzoato(2-)]mercurate(1-),[Na+].CC[Hg]Sc1ccccc1C(=O)[O-],[Na+].CC[Hg]Sc1ccccc1C(=O)[O-],"InChI=1/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2/rC9H10HgO2S.Na/c1-2-10-13-8-6-4-3-5-7(8)9(11)12;/h3-6H,2H2,1H3,(H,11,12);/q;+1/p-1",C9H9HgO2S.Na,,,,,,RTKIYNMVFMVABJ-UHFFFAOYSA-L,,,,,,,,,,,
100.000.195,200-214-6,54-85-3,Isoniazid,isonicotinohydrazide,NNC(=O)c1ccncc1,NNC(=O)c1ccncc1,"InChI=1/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)",C6H7N3O,,,,,,QRXWMOHMRWLFEY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.830,203-113-5,103-45-7,Phenethyl acetate,2-phenylethyl acetate,CC(=O)OCCc1ccccc1,CC(=O)OCCc1ccccc1,"InChI=1/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C10H12O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5534,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.830,MDHYEMXUFSJLGV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.831,203-114-0,103-46-8,(benzylthio)acetic acid,(benzylsulfanyl)acetic acid,OC(=O)CSCc1ccccc1,OC(=O)CSCc1ccccc1,"InChI=1/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",C9H10O2S,,,,,,AWLVTQRRKPBQEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.832,203-115-6,103-47-9,2-(cyclohexylamino)ethanesulphonic acid,2-(cyclohexylamino)ethanesulfonic acid,OS(=O)(=O)CCNC1CCCCC1,OS(=O)(=O)CCNC1CCCCC1,"InChI=1/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)",C8H17NO3S,,,,,,MKWKNSIESPFAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.833,203-116-1,103-48-0,Phenethyl isobutyrate,2-phenylethyl 2-methylpropanoate,CC(C)C(=O)OCCc1ccccc1,CC(C)C(=O)OCCc1ccccc1,"InChI=1/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18936,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.833,JDQVBGQWADMTAM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.835,203-118-2,103-50-4,Dibenzyl ether,"1,1'-[oxybis(methylene)]dibenzene",C(OCc1ccccc1)c2ccccc2,C(OCc1ccccc1)c2ccccc2,"InChI=1/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5180,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.835,MHDVGSVTJDSBDK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.849,203-133-4,103-67-3,Benzyl(methyl)amine,N-methyl-1-phenylmethanamine,CNCc1ccccc1,CNCc1ccccc1,"InChI=1/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",C8H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10517,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.849,RIWRFSMVIUAEBX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.855,203-140-2,103-74-2,2-(2-pyridyl)ethanol,2-pyridin-2-ylethanol,OCCc1ccccn1,OCCc1ccccn1,"InChI=1/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2",C7H9NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13451,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.855,BXGYBSJAZFGIPX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.864,203-150-7,103-84-4,Acetanilide,N-phenylacetamide,CC(=O)Nc1ccccc1,CC(=O)Nc1ccccc1,"InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",C8H9NO,,,,,,FZERHIULMFGESH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.867,203-153-3,103-87-7,a-dimethylamino-p-cresol,4-[(dimethylamino)methyl]phenol,CN(C)Cc1ccc(O)cc1,CN(C)Cc1ccc(O)cc1,"InChI=1/C9H13NO/c1-10(2)7-8-3-5-9(11)6-4-8/h3-6,11H,7H2,1-2H3",C9H13NO,,,,,,NFVPEIKDMMISQO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.874,203-161-7,103-95-7,3-p-cumenyl-2-methylpropionaldehyde,3-(4-isopropylphenyl)-2-methylpropanal,CC(Cc1ccc(cc1)C(C)C)C=O,CC(Cc1ccc(cc1)C(C)C)C=O,"InChI=1/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3",C13H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5681,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.874,ZFNVDHOSLNRHNN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.880,203-168-5,104-03-0,4-nitrophenylacetic acid,(4-nitrophenyl)acetic acid,OC(=O)Cc1ccc(cc1)[N+](=O)[O-],OC(=O)Cc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)",C8H7NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16775,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.880,YBADLXQNJCMBKR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.881,203-169-0,104-04-1,4'-nitroacetanilide,N-(4-nitrophenyl)acetamide,CC(=O)Nc1ccc(cc1)[N+](=O)[O-],CC(=O)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)",C8H8N2O3,,,,,,NQRLPDFELNCFHW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.885,203-173-2,104-09-6,p-tolylacetaldehyde,(4-methylphenyl)acetaldehyde,Cc1ccc(CC=O)cc1,Cc1ccc(CC=O)cc1,"InChI=1/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3",C9H10O,,,,,,CIXAYNMKFFQEFU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.887,203-175-3,104-11-0,4-chlorobenzylmethylamine,1-(4-chlorophenyl)-N-methylmethanamine,CNCc1ccc(Cl)cc1,CNCc1ccc(Cl)cc1,"InChI=1/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3",C8H10ClN,,,,,,LMBUJNXYGGNSAH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.888,203-176-9,104-12-1,4-chlorophenyl isocyanate,1-chloro-4-isocyanatobenzene,Clc1ccc(cc1)N=C=O,Clc1ccc(cc1)N=C=O,InChI=1/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,C7H4ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1148,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.888,ADAKRBAJFHTIEW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.893,203-182-1,104-18-7,(4-aminophenylthio)acetic acid,[(4-aminophenyl)sulfanyl]acetic acid,Nc1ccc(SCC(=O)O)cc1,Nc1ccc(SCC(=O)O)cc1,"InChI=1/C8H9NO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)",C8H9NO2S,,,,,,CTPIHHXCACYCIV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.897,203-186-3,104-22-3,Benzylsulfamide,4-(benzylamino)benzenesulfonamide,NS(=O)(=O)c1ccc(NCc2ccccc2)cc1,NS(=O)(=O)c1ccc(NCc2ccccc2)cc1,"InChI=1/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)",C13H14N2O2S,,,,,,HLIBJQGJVDHCNB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.901,203-191-0,104-28-9,Cinoxate,2-ethoxyethyl 3-(4-methoxyphenyl)acrylate,COc1ccc(C=CC(=O)OCCOCC)cc1,COc1ccc(C=CC(=O)OCCOCC)cc1,"InChI=1/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3",C14H18O4,,,,,,CMDKPGRTAQVGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.902,203-192-6,104-29-0,Chlorphenesin,"3-(4-chlorophenoxy)propane-1,2-diol",OCC(O)COc1ccc(Cl)cc1,OCC(O)COc1ccc(Cl)cc1,"InChI=1/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2",C9H11ClO3,,,,,,MXOAEAUPQDYUQM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.419,204-859-4,127-71-9,Sulfabenzamide,N-[(4-aminophenyl)sulfonyl]benzamide,Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2,Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2,"InChI=1/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)",C13H12N2O3S,,,,,,PBCZLFBEBARBBI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.422,204-863-6,127-75-3,4'-(6-methoxypyridazin-3-ylsulphamoyl)acetanilide,N-{4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl}acetamide,COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)nn1,COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)nn1,"InChI=1/C13H14N4O4S/c1-9(18)14-10-3-5-11(6-4-10)22(19,20)17-12-7-8-13(21-2)16-15-12/h3-8H,1-2H3,(H,14,18)(H,15,17)",C13H14N4O4S,,,,,,IPJUXBSYTYFATD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.424,204-865-7,127-77-5,Sulfabenz,4-amino-N-phenylbenzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2,Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2,"InChI=1/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2",C12H12N2O2S,,,,,,YBUXKQSCKVQATK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.426,204-867-8,127-82-2,Zinc bis(4-hydroxybenzenesulphonate),zinc bis(4-hydroxybenzenesulfonate),[Zn+2].Oc1ccc(cc1)S(=O)(=O)[O-].Oc2ccc(cc2)S(=O)(=O)[O-],[Zn+2].Oc1ccc(cc1)S(=O)(=O)[O-].Oc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2",C6H6O4S.1/2Zn,,,,,,ZNVKGUVDRSSWHV-UHFFFAOYSA-L,,,,,,,,,,,
100.004.432,204-874-6,127-96-8,Potassium trihydrogen dioxalate,potassium trihydrogen diethanedioate,[K+].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[K+].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/2C2H2O4.K/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);/q;;+1/p-4",C2H2O4.1/2K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14286,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.432,GANDVAJEIJXBQJ-UHFFFAOYSA-J,,,,,,,,,,,
100.004.435,204-877-2,128-08-5,N-bromosuccinimide,"1-bromopyrrolidine-2,5-dione",BrN1C(=O)CCC1=O,BrN1C(=O)CCC1=O,InChI=1/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2,C4H4BrNO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5434,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.435,PCLIMKBDDGJMGD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.437,204-879-3,128-13-2,Ursodeoxycholic acid,"3,7-dihydroxycholan-24-oic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)",C24H40O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5699,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.437,RUDATBOHQWOJDD-UZVSRGJWSA-N,,,,,,,,,,,
100.004.440,204-883-5,128-38-1,"3,3',5,5'-tetra-tert-butylbiphenyl-4,4'-diol","3,3',5,5'-tetra-tert-butylbiphenyl-4,4'-diol",CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C,CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C,"InChI=1/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3",C28H42O2,,,,,,GSOYMOAPJZYXTB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.443,204-886-1,128-44-9,"1,2-benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt",-,[Na+].O=C1NS(=O)(=O)c2ccccc12,[Na+].O=C1NS(=O)(=O)c2ccccc12,"InChI=1/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1",C7H5NO3S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14605,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.443,WINXNKPZLFISPD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.448,204-891-9,128-51-8,Nopyl acetate,"2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate",CC(=O)OCCC1=CCC2CC1C2(C)C,CC(=O)OCCC1=CCC2CC1C2(C)C,"InChI=1/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3",C13H20O2,,,,,,AWNOGHRWORTNEI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.450,204-894-5,128-56-3,"Sodium 9,10-dihydro-9,10-dioxoanthracene-1-sulphonate","sodium 9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8O5S.Na/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;/h1-7H,(H,17,18,19);/q;+1/p-1",C14H8O5S.Na,,,,,,SDKPSXWGRWWLKR-UHFFFAOYSA-M,,,,,,,,,,,
100.004.451,204-895-0,128-57-4,Sennoside B,"5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid",OC[C@H]1O[C@@H](Oc2cccc3[C@@H]([C@H]4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cccc3[C@@H]([C@H]4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)",C42H38O20,,,,,,IPQVTOJGNYVQEO-AIFLABODSA-N,,,,,,,,,,,
100.004.457,204-901-1,128-64-3,"Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione","benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione",O=C1c2ccccc2c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc1c3c49)c5c68,O=C1c2ccccc2c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc1c3c49)c5c68,InChI=1/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H,C34H16O2,,,,,,BSIHWSXXPBAGTC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.460,204-904-8,128-67-6,"9,10-dihydro-1-nitro-9,10-dioxoanthracene-2-carboxylic acid","1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],"InChI=1/C15H7NO6/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22/h1-6H,(H,19,20)",C15H7NO6,,,,,,PMOCDYOEOUEPAN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.961,203-256-3,104-96-1,4-(methylthio)aniline,4-(methylsulfanyl)aniline,CSc1ccc(N)cc1,CSc1ccc(N)cc1,"InChI=1/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3",C7H9NS,,,,,,YKFROQCFVXOUPW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.968,203-264-7,105-04-4,Diethyl(2-ethylaminoethyl)amine,"N,N,N'-triethylethane-1,2-diamine",CCNCCN(CC)CC,CCNCCN(CC)CC,"InChI=1/C8H20N2/c1-4-9-7-8-10(5-2)6-3/h9H,4-8H2,1-3H3",C8H20N2,,,,,,HDCAZTXEZQWTIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.972,203-268-9,105-08-8,"Cyclohex-1,4-ylenedimethanol","cyclohexane-1,4-diyldimethanol",OCC1CCC(CO)CC1,OCC1CCC(CO)CC1,"InChI=1/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2",C8H16O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14211,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.972,YIMQCDZDWXUDCA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.973,203-269-4,105-09-9,"p-xylene-a,a'-dithiol","1,4-phenylenedimethanethiol",SCc1ccc(CS)cc1,SCc1ccc(CS)cc1,"InChI=1/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2",C8H10S2,,,,,,IYPNRTQAOXLCQW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.974,203-271-5,105-11-3,p-benzoquinone dioxime,"1,4-benzoquinone dioxime",ON=C1C=CC(=NO)C=C1,ON=C1C=CC(=NO)C=C1,"InChI=1/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H",C6H6N2O2,,,,,,LNHURPJLTHSVMU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.976,203-273-6,105-13-5,4-methoxybenzyl alcohol,(4-methoxyphenyl)methanol,COc1ccc(CO)cc1,COc1ccc(CO)cc1,"InChI=1/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3",C8H10O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16802,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.976,MSHFRERJPWKJFX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.977,203-274-1,105-14-6,5-diethylaminopentan-2-one,5-(diethylamino)pentan-2-one,CCN(CC)CCCC(=O)C,CCN(CC)CCCC(=O)C,"InChI=1/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3",C9H19NO,,,,,,GRGNJBKJCVOFEO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.978,203-275-7,105-16-8,2-(diethylamino)ethyl methacrylate,2-(diethylamino)ethyl methacrylate,CCN(CC)CCOC(=O)C(=C)C,CCN(CC)CCOC(=O)C(=C)C,"InChI=1/C10H19NO2/c1-5-11(6-2)7-8-13-10(12)9(3)4/h3,5-8H2,1-2,4H3",C10H19NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16027,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.978,SJIXRGNQPBQWMK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.982,203-279-9,105-21-5,Heptan-4-olide,5-propyldihydrofuran-2(3H)-one,CCCC1CCC(=O)O1,CCCC1CCC(=O)O1,"InChI=1/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3",C7H12O2,,,,,,VLSVVMPLPMNWBH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.991,203-289-3,105-35-1,2-chloro-N-ethylacetamide,2-chloro-N-ethylacetamide,CCNC(=O)CCl,CCNC(=O)CCl,"InChI=1/C4H8ClNO/c1-2-6-4(7)3-5/h2-3H2,1H3,(H,6,7)",C4H8ClNO,,,,,,JUBORNFANZZVJL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.995,203-294-0,105-39-5,Ethyl chloroacetate,ethyl chloroacetate,CCOC(=O)CCl,CCOC(=O)CCl,"InChI=1/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3",C4H7ClO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16030,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.995,VEUUMBGHMNQHGO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.001,203-300-1,105-46-4,sec-butyl acetate,sec-butyl acetate,CCC(C)OC(=O)C,CCC(C)OC(=O)C,"InChI=1/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3",C6H12O2,,,,,,DCKVNWZUADLDEH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.010,203-310-6,105-57-7,"1,1-diethoxyethane","1,1-diethoxyethane",CCOC(C)OCC,CCOC(C)OCC,"InChI=1/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3",C6H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18321,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.010,DHKHKXVYLBGOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.012,203-312-7,105-59-9,"2,2'-methyliminodiethanol","2,2'-(methylimino)diethanol",CN(CCO)CCO,CN(CCO)CCO,"InChI=1/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3",C5H13NO2,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14521,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.012,CRVGTESFCCXCTH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.015,203-315-3,105-62-4,"1-methyl-1,2-ethanediyl dioleate","propane-1,2-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C39H72O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,37H,4-17,22-36H2,1-3H3",C39H72O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16426,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.015,UMHYVXGZRGOICM-AUYXYSRISA-N,,,,,,,,,,,
100.003.016,203-316-9,105-63-5,Methyl N-carbamoylmaleamate,methyl 4-(carbamoylamino)-4-oxobut-2-enoate,COC(=O)\\C=C/C(=O)NC(=O)N,COC(=O)\C=C/C(=O)NC(=O)N,"InChI=1/C6H8N2O4/c1-12-5(10)3-2-4(9)8-6(7)11/h2-3H,1H3,(H3,7,8,9,11)",C6H8N2O4,,,,,,DSQHQLPYWULAMJ-IHWYPQMZSA-N,,,,,,,,,,,
100.003.023,203-324-2,105-71-5,Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-ß-alaninate,"dimethyl 3,3'-(methylimino)dipropanoate (non-preferred name)",COC(=O)CCN(C)CCC(=O)OC,COC(=O)CCN(C)CCC(=O)OC,"InChI=1/C9H17NO4/c1-10(6-4-8(11)13-2)7-5-9(12)14-3/h4-7H2,1-3H3",C9H17NO4,,,,,,TYINRDVTTNNFKL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.037,203-339-4,105-86-2,Geranyl formate,"3,7-dimethylocta-2,6-dien-1-yl formate",CC(=CCC\\C(=C\\COC=O)\\C)C,CC(=CCC\C(=C\COC=O)\C)C,"InChI=1/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3",C11H18O2,,,,,,FQMZVFJYMPNUCT-YRNVUSSQSA-N,,,,,,,,,,,
100.003.038,203-341-5,105-87-3,Geranyl acetate,"3,7-dimethylocta-2,6-dien-1-yl acetate",CC(=CCC\\C(=C\\COC(=O)C)\\C)C,CC(=CCC\C(=C\COC(=O)C)\C)C,"InChI=1/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3",C12H20O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5962,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.038,HIGQPQRQIQDZMP-DHZHZOJOSA-N,,,,,,,,,,,
100.003.041,203-344-1,105-90-8,Geranyl propionate,"3,7-dimethylocta-2,6-dien-1-yl propionate",CCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3",C13H22O2,,,,,,BYCHQEILESTMQU-FMIVXFBMSA-N,,,,,,,,,,,
100.000.201,200-220-9,54-96-6,"3,4-diaminopyridine","pyridine-3,4-diamine",Nc1ccncc1N,Nc1ccncc1N,"InChI=1/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)",C5H7N3,,,,,,OYTKINVCDFNREN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.212,200-232-4,55-40-3,3-hydroxy-a-methyltyrosine,3-hydroxy-alpha-methyltyrosine,CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,"InChI=1/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)",C10H13NO4,,,,,,CJCSPKMFHVPWAR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.217,200-238-7,55-56-1,Chlorhexidine,"N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]",Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,"InChI=1/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)",C22H30Cl2N10,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13169,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.217,GHXZTYHSJHQHIJ-UHFFFAOYSA-N,Positive,mzcloud:1798,[M+H]+,HCD_Averaged,55.0542:60.05563:75.0229:83.08553:93.05729:100.1121:98.09642:125.10732:128.02616:129.0107:139.00576:153.0214:159.16043:167.12911:170.04795:178.0167:184.15566:195.0432:201.1822:319.1433:336.1698:353.1963:471.1574:488.1839,HighChem,,,,,
100.000.225,200-247-6,55-91-4,Diisopropyl phosphorofluoridate,diisopropyl fluorophosphate,CC(C)OP(=O)(F)OC(C)C,CC(C)OP(=O)(F)OC(C)C,"InChI=1/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",C6H14FO3P,,,,,,MUCZHBLJLSDCSD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.231,200-253-9,56-05-3,"4,6-dichloropyrimidin-2-ylamine","4,6-dichloropyrimidin-2-amine",Nc1nc(Cl)cc(Cl)n1,Nc1nc(Cl)cc(Cl)n1,"InChI=1/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)",C4H3Cl2N3,,,,,,JPZOAVGMSDSWSW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.232,200-254-4,56-06-4,"2,6-diamino-1H-pyrimidin-4-one","2,6-diaminopyrimidin-4(1H)-one",NC1=CC(=O)N=C(N)N1,NC1=CC(=O)N=C(N)N1,"InChI=1/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)",C4H6N4O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16733,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.232,SWELIMKTDYHAOY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.233,200-256-5,56-09-7,2-amino-6-hydroxy-1H-pyrimidin-4-one,2-amino-6-hydroxypyrimidin-4(1H)-one,NC1=NC(=O)C=C(O)N1,NC1=NC(=O)C=C(O)N1,"InChI=1/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)",C4H5N3O2,,,,,,AUFJTVGCSJNQIF-UHFFFAOYSA-N,,,,,,,,,,,
100.000.238,200-261-2,56-18-8,"3,3'-iminodi(propylamine)","N-(3-aminopropyl)propane-1,3-diamine",NCCCNCCCN,NCCCNCCCN,"InChI=1/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2",C6H17N3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10361,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.238,OTBHHUPVCYLGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.239,200-262-8,56-23-5,Carbon tetrachloride,tetrachloromethane,ClC(Cl)(Cl)Cl,ClC(Cl)(Cl)Cl,"InChI=1/CCl4/c2-1(3,4)5",CCl4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14940,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.239,VZGDMQKNWNREIO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.241,200-264-9,56-29-1,Hexobarbital,"5-cyclohex-1-en-1-yl-2-hydroxy-1,5-dimethylpyrimidine-4,6(1H,5H)-dione",CN1C(=NC(=O)C(C)(C2=CCCCC2)C1=O)O,CN1C(=NC(=O)C(C)(C2=CCCCC2)C1=O)O,"InChI=1/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)",C12H16N2O3,,,,,,UYXAWHWODHRRMR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.244,200-268-0,56-35-9,Bis(tributyltin) oxide,hexabutyldistannoxane,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;/rC24H54OSn2/c1-7-13-19-26(20-14-8-2,21-15-9-3)25-27(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3",C24H54OSn2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12201,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.244,APQHKWPGGHMYKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.245,200-269-6,56-36-0,Tributyltin acetate,tributylstannanylium acetate,CCCC[Sn+](CCCC)CCCC.CC(=O)[O-],CCCC[Sn+](CCCC)CCCC.CC(=O)[O-],"InChI=1/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1/rC12H27Sn.C2H4O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2(3)4/h4-12H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C14H30O2Sn,,,,,,PWBHRVGYSMBMIO-UHFFFAOYSA-M,,,,,,,,,,,
100.000.265,200-291-6,56-84-8,Aspartic acid,aspartic acid,NC(CC(=O)O)C(=O)O,NC(CC(=O)O)C(=O)O,"InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)",C4H7NO4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14876,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.265,CKLJMWTZIZZHCS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.270,200-296-3,56-89-3,Cystine,cystine,NC(CSSCC(N)C(=O)O)C(=O)O,NC(CSSCC(N)C(=O)O)C(=O)O,"InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",C6H12N2O4S2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5911,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.270,LEVWYRKDKASIDU-UHFFFAOYSA-N,,,,,,,,,,,
100.000.274,200-301-9,56-94-0,Demecarium bromide,"3,3'-{decane-1,10-diylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium) dibromide",[Br-].[Br-].CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc2cccc(c2)[N+](C)(C)C,[Br-].[Br-].CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc2cccc(c2)[N+](C)(C)C,"InChI=1/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2",C32H52N4O4.2Br,,,,,,YHKBUDZECQDYBR-UHFFFAOYSA-L,,,,,,,,,,,
100.002.906,203-196-8,104-36-9,"1,4-dibutoxybenzene","1,4-dibutoxybenzene",CCCCOc1ccc(OCCCC)cc1,CCCCOc1ccc(OCCCC)cc1,"InChI=1/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",C14H22O2,,,,,,ZROGCHDPRZRKTI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.910,203-200-8,104-41-6,p-dodecyltoluene,1-dodecyl-4-methylbenzene,CCCCCCCCCCCCc1ccc(C)cc1,CCCCCCCCCCCCc1ccc(C)cc1,"InChI=1/C19H32/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-14-18(2)15-17-19/h14-17H,3-13H2,1-2H3",C19H32,,,,,,BOSMBEZWDZNQJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.913,203-203-4,104-45-0,p-propylanisole,1-methoxy-4-propylbenzene,CCCc1ccc(OC)cc1,CCCc1ccc(OC)cc1,"InChI=1/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3",C10H14O,,,,,,KBHWKXNXTURZCD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.917,203-208-1,104-50-7,Octan-4-olide,5-butyldihydrofuran-2(3H)-one,CCCCC1CCC(=O)O1,CCCCC1CCC(=O)O1,"InChI=1/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3",C8H14O2,,,,,,IPBFYZQJXZJBFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.923,203-214-4,104-57-4,Benzyl formate,benzyl formate,O=COCc1ccccc1,O=COCc1ccccc1,"InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2",C8H8O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16783,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.923,UYWQUFXKFGHYNT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.929,203-221-2,104-63-2,2-benzylaminoethanol,2-(benzylamino)ethanol,OCCNCc1ccccc1,OCCNCc1ccccc1,"InChI=1/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2",C9H13NO,,,,,,XNIOWJUQPMKCIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.930,203-222-8,104-64-3,3-phenylpropyl formate,3-phenylpropyl formate,O=COCCCc1ccccc1,O=COCCCc1ccccc1,"InChI=1/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2",C10H12O2,,,,,,AMHRXSOVSAQOKL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.936,203-229-6,104-71-2,"N,N'-dibenzylideneethylenediamine","N,N'-dibenzylideneethane-1,2-diamine",C(N=Cc1ccccc1)CN=Cc2ccccc2,C(N=Cc1ccccc1)CN=Cc2ccccc2,"InChI=1/C16H16N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2",C16H16N2,,,,,,QBAKBJNOARBSGP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.943,203-236-4,104-78-9,3-aminopropyldiethylamine,"N,N-diethylpropane-1,3-diamine",CCN(CC)CCCN,CCN(CC)CCCN,"InChI=1/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3",C7H18N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5611,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.943,QOHMWDJIBGVPIF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.947,203-241-1,104-82-5,a-chloro-p-xylene,1-(chloromethyl)-4-methylbenzene,Cc1ccc(CCl)cc1,Cc1ccc(CCl)cc1,"InChI=1/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3",C8H9Cl,,,,,,DMHZDOTYAVHSEH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.954,203-249-5,104-89-2,5-ethyl-2-methylpiperidine,5-ethyl-2-methylpiperidine,CCC1CCC(C)NC1,CCC1CCC(C)NC1,"InChI=1/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3",C8H17N,,,,,,XOFNHZHCGBPVGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.957,203-252-1,104-92-7,4-bromoanisole,1-bromo-4-methoxybenzene,COc1ccc(Br)cc1,COc1ccc(Br)cc1,"InChI=1/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7BrO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6972,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.957,QJPJQTDYNZXKQF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.960,203-255-8,104-95-0,4-bromophenyl methyl sulphide,1-bromo-4-(methylsulfanyl)benzene,CSc1ccc(Br)cc1,CSc1ccc(Br)cc1,"InChI=1/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7BrS,,,,,,YEUYZNNBXLMFCW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.964,203-260-5,104-99-4,Diethyl(2-ethylmethylaminoethyl)amine,"N,N-diethyl-N'-propylethane-1,2-diamine",CCCNCCN(CC)CC,CCCNCCN(CC)CC,"InChI=1/C9H22N2/c1-4-7-10-8-9-11(5-2)6-3/h10H,4-9H2,1-3H3",C9H22N2,,,,,,WIJFXKFYVBYDTA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.967,203-263-1,105-03-3,Bis(2-ethylbutyl) azelate,bis(2-ethylbutyl) azelaate,CCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CC,CCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CC,"InChI=1/C21H40O4/c1-5-18(6-2)16-24-20(22)14-12-10-9-11-13-15-21(23)25-17-19(7-3)8-4/h18-19H,5-17H2,1-4H3",C21H40O4,,,,,,HFEFYTCEBRSONX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.971,203-267-3,105-07-7,4-formylbenzonitrile,4-formylbenzonitrile,O=Cc1ccc(cc1)C#N,O=Cc1ccc(cc1)C#N,"InChI=1/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H",C8H5NO,,,,,,WZWIQYMTQZCSKI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.979,203-276-2,105-17-9,"(E)-N,N,N',N'-tetraethyl-2-butene-1,4-diamine","N,N,N',N'-tetraethylbut-2-ene-1,4-diamine",CCN(CC)C\\C=C\\CN(CC)CC,CCN(CC)C\C=C\CN(CC)CC,"InChI=1/C12H26N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3",C12H26N2,,,,,,GTSWSDCAOQCBEH-MDZDMXLPSA-N,,,,,,,,,,,
100.002.980,203-277-8,105-18-0,"N,N,N',N'-tetraethylbut-2-ynylenediamine","N,N,N',N'-tetraethylbut-2-yne-1,4-diamine",CCN(CC)CC#CCN(CC)CC,CCN(CC)CC#CCN(CC)CC,"InChI=1/C12H24N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-8,11-12H2,1-4H3",C12H24N2,,,,,,ZSHOGSSMVWJOGA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.983,203-280-4,105-24-8,1-(2-cyclopentenyl)acetone,1-cyclopent-2-en-1-ylacetone,CC(=O)CC1CCC=C1,CC(=O)CC1CCC=C1,"InChI=1/C8H12O/c1-7(9)6-8-4-2-3-5-8/h2,4,8H,3,5-6H2,1H3",C8H12O,,,,,,LHAJIBPLECWWQP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.463,204-907-4,128-79-0,"4,4'-dibenzamido-1,1'-iminodianthraquinone","N,N'-[iminobis(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]dibenzamide",O=C(Nc1ccc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)c6C(=O)c7ccccc7C(=O)c16)c8ccccc8,O=C(Nc1ccc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)c6C(=O)c7ccccc7C(=O)c16)c8ccccc8,"InChI=1/C42H25N3O6/c46-37-25-15-7-9-17-27(25)39(48)35-31(44-41(50)23-11-3-1-4-12-23)21-19-29(33(35)37)43-30-20-22-32(45-42(51)24-13-5-2-6-14-24)36-34(30)38(47)26-16-8-10-18-28(26)40(36)49/h1-22,43H,(H,44,50)(H,45,51)",C42H25N3O6,,,,,,OZMARZSNLQTLII-UHFFFAOYSA-N,,,,,,,,,,,
100.004.464,204-909-5,128-80-3,"1,4-bis(p-tolylamino)anthraquinone","1,4-bis[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c4C(=O)c5ccccc5C(=O)c24)cc1,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3",C28H22N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11676,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.464,TVRGPOFMYCMNRB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.468,204-913-7,128-86-9,"4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid","4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid",Nc1cc(c(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(c(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C14H10N2O10S2/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26)",C14H10N2O10S2,,,,,,MVWQCFNJWMLYDF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.474,204-920-5,128-93-8,1-bromo-4-(methylamino)anthraquinone,"1-bromo-4-(methylamino)-9,10-anthraquinone",CNc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C15H10BrNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3",C15H10BrNO2,,,,,,IIPRUQZTMZETSL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.479,204-925-2,128-98-3,"1-amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulphonamidoanthracene-2-sulphonic acid","1-amino-4-{[(4-methylphenyl)sulfonyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O,Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O,"InChI=1/C21H16N2O7S2/c1-11-6-8-12(9-7-11)31(26,27)23-15-10-16(32(28,29)30)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,28,29,30)",C21H16N2O7S2,,,,,,IIZQAPDECJYKDK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.482,204-928-9,129-03-3,Cyproheptadine,"4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine",CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,"InChI=1/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3",C21H21N,,,,,,JJCFRYNCJDLXIK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.486,204-933-6,129-16-8,Merbromin,"disodium [2,7-dibromo-9-(2-carboxylatophenyl)-6-oxido-3-oxo-3H-xanthen-5-yl](hydroxy)mercury",[Na+].[Na+].[O-]C(=O)c4ccccc4C=1c3cc(Br)c([O-])c([Hg]O)c3O/C/2=C/C(=O)C(/Br)=C\\C=1\\2,[Na+].[Na+].[O-]C(=O)c4ccccc4C=1c3cc(Br)c([O-])c([Hg]O)c3O/C/2=C/C(=O)C(/Br)=C\C=1\2,"InChI=1/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;;;/h1-7,24H,(H,25,26);;;;1H2/q;3*+1;/p-3/rC20H10Br2HgO6.2Na/c21-12-5-10-15(7-14(12)24)29-19-11(6-13(22)18(25)17(19)23-28)16(10)8-3-1-2-4-9(8)20(26)27;;/h1-7,25,28H,(H,26,27);;/q;2*+1/p-2",C20H10Br2HgO6.2Na,,,,,,SQFDQLBYJKFDDO-UHFFFAOYSA-K,,,,,,,,,,,
100.004.487,204-934-1,129-17-9,"Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, sodium salt","sodium 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}benzene-1,3-disulfonate",[Na+].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1",C27H32N2O6S2.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17771,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.487,SJEYSFABYSGQBG-UHFFFAOYSA-M,,,,,,,,,,,
100.004.492,204-939-9,129-30-6,"N,N'-(9,10-dioxo-1,5-anthrylene)di(acetamide)","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diacetamide",CC(=O)Nc1cccc2C(=O)c3c(NC(=O)C)cccc3C(=O)c12,CC(=O)Nc1cccc2C(=O)c3c(NC(=O)C)cccc3C(=O)c12,"InChI=1/C18H14N2O4/c1-9(21)19-13-7-3-5-11-15(13)17(23)12-6-4-8-14(20-10(2)22)16(12)18(11)24/h3-8H,1-2H3,(H,19,21)(H,20,22)",C18H14N2O4,,,,,,FKRYJILJIVPKTR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.495,204-943-0,129-39-5,"1,8-dinitroanthraquinone","1,8-dinitro-9,10-anthraquinone",[O-][N+](=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)[N+](=O)[O-],[O-][N+](=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)[N+](=O)[O-],InChI=1/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H,C14H6N2O6,,,,,,MBIJFIUDKPXMAV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.498,204-946-7,129-43-1,1-hydroxyanthraquinone,"1-hydroxy-9,10-anthraquinone",Oc1cccc2C(=O)c3ccccc3C(=O)c12,Oc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H",C14H8O3,,,,,,BTLXPCBPYBNQNR-UHFFFAOYSA-N,Positive/Negative,UA002501|UA002503,[M+H]+,CID35|CID35,197.0599:153.0701:105.0336|197.0596:153.0699:105.0334,UFZ_Additional_Specs,SM828451;UA002502|UA002505,[M-H]-;[M-H]-,HCD35;CID35|CID35,223.04:195.0451;195.0451:223.0393:152.023|224.0475,CASMI_2016;UFZ_Additional_Specs
100.003.045,203-348-3,105-96-4,Bis(6-methylheptyl) adipate,bis(6-methylheptyl) adipate,CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,"InChI=1/C22H42O4/c1-19(2)13-7-5-11-17-25-21(23)15-9-10-16-22(24)26-18-12-6-8-14-20(3)4/h19-20H,5-18H2,1-4H3",C22H42O4,,,,,,CJFLBOQMPJCWLR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.051,203-355-1,106-03-6,Bis(6-methylheptyl) azelate,bis(6-methylheptyl) azelaate,CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C,"InChI=1/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3",C25H48O4,,,,,,CYNJQGPDCDNZBL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.060,203-365-6,106-13-8,2-ethoxyethyl laurate,2-ethoxyethyl laurate,CCCCCCCCCCCC(=O)OCCOCC,CCCCCCCCCCCC(=O)OCCOCC,"InChI=1/C16H32O3/c1-3-5-6-7-8-9-10-11-12-13-16(17)19-15-14-18-4-2/h3-15H2,1-2H3",C16H32O3,,,,,,ZZEVAQRDBLJTKL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.062,203-367-7,106-15-0,12-hydroxy-N-(2-hydroxyethyl)octadecan-1-amide,12-hydroxy-N-(2-hydroxyethyl)octadecanamide,CCCCCCC(O)CCCCCCCCCCC(=O)NCCO,CCCCCCC(O)CCCCCCCCCCC(=O)NCCO,"InChI=1/C20H41NO3/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)21-17-18-22/h19,22-23H,2-18H2,1H3,(H,21,24)",C20H41NO3,,,,,,OZSKVMIBRHDIET-UHFFFAOYSA-N,,,,,,,,,,,
100.003.064,203-369-8,106-17-2,2-hydroxyethyl ricinoleate,2-hydroxyethyl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCCO,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCCO,"InChI=1/C20H38O4/c1-2-3-4-11-14-19(22)15-12-9-7-5-6-8-10-13-16-20(23)24-18-17-21/h9,12,19,21-22H,2-8,10-11,13-18H2,1H3",C20H38O4,,,,,,XLMXUUQMSMKFMH-UZRURVBFSA-N,,,,,,,,,,,
100.003.066,203-371-9,106-19-4,Dipropyl adipate,dipropyl adipate,CCCOC(=O)CCCCC(=O)OCCC,CCCOC(=O)CCCCC(=O)OCCC,"InChI=1/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3",C12H22O4,,,,,,NKOUWLLFHNBUDW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.069,203-375-0,106-22-9,Citronellol,"3,7-dimethyloct-6-en-1-ol",CC(CCO)CCC=C(C)C,CC(CCO)CCC=C(C)C,"InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",C10H20O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14242,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.069,QMVPMAAFGQKVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.075,203-381-3,106-29-6,Geranyl butyrate,"3,7-dimethylocta-2,6-dien-1-yl butyrate",CCCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3",C14H24O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18708,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.075,ZSBOMYJPSRFZAL-JLHYYAGUSA-N,,,,,,,,,,,
100.003.083,203-390-2,106-37-6,"1,4-dibromobenzene","1,4-dibromobenzene",Brc1ccc(Br)cc1,Brc1ccc(Br)cc1,InChI=1/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H,C6H4Br2,,,,,,SWJPEBQEEAHIGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.104,203-413-6,106-59-2,"1,4-diaminopiperazine hydrate","piperazine-1,4-diamine hydrate",O.NN1CCN(N)CC1,O.NN1CCN(N)CC1,InChI=1/C4H12N4.H2O/c5-7-1-2-8(6)4-3-7;/h1-6H2;1H2,C4H12N4,,,,,,JFDBLSXGOXDQLT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.106,203-415-7,106-61-6,"2,3-dihydroxypropyl acetate","2,3-dihydroxypropyl acetate",CC(=O)OCC(O)CO,CC(=O)OCC(O)CO,"InChI=1/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3",C5H10O4,,,,,,KMZHZAAOEWVPSE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.107,203-416-2,106-62-7,2-(2-hydroxypropoxy)propanol,2-(2-hydroxypropoxy)propan-1-ol,CC(O)COC(C)CO,CC(O)COC(C)CO,"InChI=1/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3",C6H14O3,,,,,,DUFKCOQISQKSAV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.109,203-418-3,106-64-9,2-(N-ethylmethylamino)ethyldimethylamine,"N,N-dimethyl-N'-propylethane-1,2-diamine",CCCNCCN(C)C,CCCNCCN(C)C,"InChI=1/C7H18N2/c1-4-5-8-6-7-9(2)3/h8H,4-7H2,1-3H3",C7H18N2,,,,,,OMCJDNIHQAGLEM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.110,203-419-9,106-65-0,Dimethyl succinate,dimethyl succinate,COC(=O)CCC(=O)OC,COC(=O)CCC(=O)OC,"InChI=1/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3",C6H10O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15043,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.110,MUXOBHXGJLMRAB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.111,203-420-4,106-66-1,"N,N'-diethyl-N,N'-dimethylethylenediamine","N,N'-diethyl-N,N'-dimethylethane-1,2-diamine",CCN(C)CCN(C)CC,CCN(C)CCN(C)CC,"InChI=1/C8H20N2/c1-5-9(3)7-8-10(4)6-2/h5-8H2,1-4H3",C8H20N2,,,,,,BWTBHGDNJBIYAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.117,203-427-2,106-72-9,"2,6-dimethylhept-5-enal","2,6-dimethylhept-5-enal",CC(CCC=C(C)C)C=O,CC(CCC=C(C)C)C=O,"InChI=1/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3",C9H16O,,,,,,YGFGZTXGYTUXBA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.100,204-509-0,121-93-7,"2,2'-[(1-methylethyl)imino]bisethanol","2,2'-(isopropylimino)diethanol",CC(C)N(CCO)CCO,CC(C)N(CCO)CCO,"InChI=1/C7H17NO2/c1-7(2)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3",C7H17NO2,,,,,,HHRGNKUNRVABBN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.101,204-510-6,121-94-8,"1,4-diethyl 2-[(4-sulphophenyl)hydrazono]succinate",4-{2-[3-ethoxy-1-(ethoxycarbonyl)-3-oxopropylidene]hydrazino}benzenesulfonic acid,CCOC(=O)CC(=NNc1ccc(cc1)S(O)(=O)=O)C(=O)OCC,CCOC(=O)CC(=NNc1ccc(cc1)S(O)(=O)=O)C(=O)OCC,"InChI=1/C14H18N2O7S/c1-3-22-13(17)9-12(14(18)23-4-2)16-15-10-5-7-11(8-6-10)24(19,20)21/h5-8,15H,3-4,9H2,1-2H3,(H,19,20,21)",C14H18N2O7S,,,,,,XNVPROHJLYURRG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.281,200-309-2,57-06-7,Allyl isothiocyanate,3-isothiocyanatoprop-1-ene,C=CCN=C=S,C=CCN=C=S,"InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2",C4H5NS,,,,,,ZOJBYZNEUISWFT-UHFFFAOYSA-N,,,,,,,,,,,
100.000.282,200-310-8,57-08-9,Acexamic acid,6-acetamidohexanoic acid,CC(=O)NCCCCCC(=O)O,CC(=O)NCCCCCC(=O)O,"InChI=1/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)",C8H15NO3,,,,,,WDSCBUNMANHPFH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.285,200-313-4,57-11-4,Stearic acid,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",C18H36O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15163,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.285,QIQXTHQIDYTFRH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.292,200-321-8,57-29-4,Nalorphine hydrochloride,"17-allyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride",Cl.O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45,Cl.O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45,"InChI=1/C19H21NO3.ClH/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20;/h2-6,12-13,15,18,21-22H,1,7-10H2;1H",C19H21NO3.ClH,,,,,,NAHATSPWSULUAA-ZQGPYOJVSA-N,,,,,,,,,,,
100.000.293,200-322-3,57-30-7,Phenobarbital sodium,"sodium 5-ethyl-4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1(C(=O)NC(=NC1=O)[O-])c2ccccc2,[Na+].CCC1(C(=O)NC(=NC1=O)[O-])c2ccccc2,"InChI=1/C12H12N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1",C12H12N2O3.Na,,,,,,WRLGYAWRGXKSKG-UHFFFAOYSA-M,,,,,,,,,,,
100.000.308,200-339-6,57-56-7,Semicarbazide,hydrazinecarboxamide,NNC(=O)N,NNC(=O)N,"InChI=1/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)",CH5N3O,,,,,,DUIOPKIIICUYRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.309,200-340-1,57-57-8,Propiolactone,oxetan-2-one,O=C1CCO1,O=C1CCO1,InChI=1/C3H4O2/c4-3-1-2-5-3/h1-2H2,C3H4O2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1456,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.309,VEZXCJBBBCKRPI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.317,200-349-0,57-74-9,"Chlordane , pur","1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,"InChI=1/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2",C10H6Cl8,,,,,,BIWJNBZANLAXMG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.322,200-354-8,57-91-0,"Estra-1,3,5(10)-triene-3,17a-diol","estra-1,3,5(10)-triene-3,17-diol",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@H]2O,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@H]2O,"InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3",C18H24O2,,,,,,VOXZDWNPVJITMN-SFFUCWETSA-N,,,,,,,,,,,
100.000.323,200-355-3,57-92-1,Streptomycin,"N,N'''-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine",CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",C21H39N7O12,,,,,,UCSJYZPVAKXKNQ-HZYVHMACSA-N,,,,,,,,,,,
100.000.335,200-368-4,58-20-8,17ß-hydroxyandrost-4-en-3-one cyclopentylpropionate,3-oxoandrost-4-en-17-yl 2-cyclopentylpropanoate,CC(C1CCCC1)C(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,CC(C1CCCC1)C(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,"InChI=1/C27H40O3/c1-17(18-6-4-5-7-18)25(29)30-24-11-10-22-21-9-8-19-16-20(28)12-14-26(19,2)23(21)13-15-27(22,24)3/h16-18,21-24H,4-15H2,1-3H3",C27H40O3,,,,,,RWXGTORXVUTQOD-CKVVODOISA-N,,,,,,,,,,,
100.000.341,200-375-2,58-33-3,Promethazine hydrochloride,"N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine hydrochloride",Cl.CC(CN1c2ccccc2Sc3ccccc13)N(C)C,Cl.CC(CN1c2ccccc2Sc3ccccc13)N(C)C,"InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H",C17H20N2S.ClH,,,,,,XXPDBLUZJRXNNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.346,200-381-5,58-39-9,Perphenazine,2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2",C21H26ClN3OS,,,,,,RGCVKNLCSQQDEP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.359,200-395-1,58-72-0,Triphenylethylene,"1,1',1''-ethene-1,1,2-triyltribenzene",C(=C(c1ccccc1)c2ccccc2)c3ccccc3,C(=C(c1ccccc1)c2ccccc2)c3ccccc3,InChI=1/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,C20H16,,,,,,MKYQPGPNVYRMHI-UHFFFAOYSA-N,,,,,,,,,,,
100.000.370,200-407-5,58-96-8,Uridine,uridine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O,"InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)",C9H12N2O6,,,,,,DRTQHJPVMGBUCF-XVFCMESISA-N,Negative,,,,,,ML005751,[M-H]-,HCD50,110.0249:243.0621:200.0564,MetaboLights
100.002.984,203-282-5,105-26-0,Tetrahydrofurfuryl palmitate,tetrahydrofuran-2-ylmethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC1CCCO1,CCCCCCCCCCCCCCCC(=O)OCC1CCCO1,"InChI=1/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(22)24-19-20-16-15-18-23-20/h20H,2-19H2,1H3",C21H40O3,,,,,,CUKYEOCBCKJPPB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.986,203-284-6,105-29-3,3-methylpent-2-en-4-yn-1-ol,3-methylpent-2-en-4-yn-1-ol,C#CC(C)=CCO,C#CC(C)=CCO,"InChI=1/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3",C6H8O,,,,,,ZSJHASYJQIRSLE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.987,203-285-1,105-30-6,2-methylpentan-1-ol,2-methylpentan-1-ol,CCCC(C)CO,CCCC(C)CO,"InChI=1/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3",C6H14O,,,,,,PFNHSEQQEPMLNI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.989,203-287-2,105-33-9,4-chloro-3-hydroxybutyronitrile,4-chloro-3-hydroxybutanenitrile,OC(CCl)CC#N,OC(CCl)CC#N,"InChI=1/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2",C4H6ClNO,,,,,,LHBPNZDUNCZWFL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.992,203-290-9,105-36-2,Ethyl bromoacetate,ethyl bromoacetate,CCOC(=O)CBr,CCOC(=O)CBr,"InChI=1/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3",C4H7BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18025,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.992,PQJJJMRNHATNKG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.000,203-299-8,105-45-3,Methyl acetoacetate,methyl 3-oxobutanoate,COC(=O)CC(=O)C,COC(=O)CC(=O)C,"InChI=1/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3",C5H8O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17369,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.000,WRQNANDWMGAFTP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.002,203-301-7,105-48-6,Isopropyl chloroacetate,isopropyl chloroacetate,CC(C)OC(=O)CCl,CC(C)OC(=O)CCl,"InChI=1/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3",C5H9ClO2,,,,,,VODRWDBLLGYRJT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.004,203-303-8,105-51-1,"1,1',3,3'-tetramethyldibutylamine","N-(1,3-dimethylbutyl)-4-methylpentan-2-amine",CC(C)CC(C)NC(C)CC(C)C,CC(C)CC(C)NC(C)CC(C)C,"InChI=1/C12H27N/c1-9(2)7-11(5)13-12(6)8-10(3)4/h9-13H,7-8H2,1-6H3",C12H27N,,,,,,WNOMKCAADBZQOV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.008,203-308-5,105-55-5,"1,3-diethyl-2-thiourea","1,3-diethylthiourea",CCNC(=S)NCC,CCNC(=S)NCC,"InChI=1/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)",C5H12N2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12736,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.008,FLVIGYVXZHLUHP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.013,203-313-2,105-60-2,e-caprolactam,azepan-2-one,O=C1CCCCCN1,O=C1CCCCCN1,"InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",C6H11NO,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15939,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.013,JBKVHLHDHHXQEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.024,203-325-8,105-73-7,Dioleyl maleate,dioctadec-9-en-1-yl but-2-enedioate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C40H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43-39(41)35-36-40(42)44-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-36H,3-16,21-34,37-38H2,1-2H3",C40H72O4,,,,,,KRFDIKFDEHAOAL-GSYQBMALSA-N,,,,,,,,,,,
100.003.026,203-327-9,105-75-9,Dibutyl fumarate,dibutyl but-2-enedioate,CCCCOC(=O)\\C=C\\C(=O)OCCCC,CCCCOC(=O)\C=C\C(=O)OCCCC,"InChI=1/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3",C12H20O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2056,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.026,JBSLOWBPDRZSMB-BQYQJAHWSA-N,,,,,,,,,,,
100.003.030,203-332-6,105-79-3,Isobutyl hexanoate,isobutyl hexanoate,CCCCCC(=O)OCC(C)C,CCCCCC(=O)OCC(C)C,"InChI=1/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3",C10H20O2,,,,,,UXUPPWPIGVTVQI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.031,203-333-1,105-80-6,Diisobutyl azelate,diisobutyl azelaate,CC(C)COC(=O)CCCCCCCC(=O)OCC(C)C,CC(C)COC(=O)CCCCCCCC(=O)OCC(C)C,"InChI=1/C17H32O4/c1-14(2)12-20-16(18)10-8-6-5-7-9-11-17(19)21-13-15(3)4/h14-15H,5-13H2,1-4H3",C17H32O4,,,,,,KEVDDQOYWPSMFD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.033,203-335-2,105-82-8,"1,1-dipropoxyethane","1,1'-[ethane-1,1-diylbis(oxy)]dipropane",CCCOC(C)OCCC,CCCOC(C)OCCC,"InChI=1/C8H18O2/c1-4-6-9-8(3)10-7-5-2/h8H,4-7H2,1-3H3",C8H18O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17090,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.033,MISTZQJSHHTDCF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.034,203-336-8,105-83-9,"N,N-bis(3-aminopropyl)methylamine","N-(3-aminopropyl)-N-methylpropane-1,3-diamine",CN(CCCN)CCCN,CN(CCCN)CCCN,"InChI=1/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3",C7H19N3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11925,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.034,KMBPCQSCMCEPMU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.035,203-337-3,105-84-0,"N,N'-dimethyl-N-[2-(methylamino)ethyl]ethylenediamine","N,N'-dimethyl-N-[2-(methylamino)ethyl]ethane-1,2-diamine",CNCCN(C)CCNC,CNCCN(C)CCNC,"InChI=1/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3",C7H19N3,,,,,,ODZZIKZQNODXFS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.039,203-342-0,105-88-4,"2,6,10-trimethylundecanal","2,6,10-trimethylundecanal",CC(C)CCCC(C)CCCC(C)C=O,CC(C)CCCC(C)CCCC(C)C=O,"InChI=1/C14H28O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h11-14H,5-10H2,1-4H3",C14H28O,,,,,,MBZCATXQAHUZEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.042,203-345-7,105-91-9,Neryl propionate,"3,7-dimethylocta-2,6-dien-1-yl propionate",CCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3",C13H22O2,,,,,,BYCHQEILESTMQU-FMIVXFBMSA-N,,,,,,,,,,,
100.003.043,203-346-2,105-93-1,N-ethylbis(2-ethylaminoethyl)amine,"N,N'-diethyl-N-[2-(ethylamino)ethyl]ethane-1,2-diamine",CCNCCN(CC)CCNCC,CCNCCN(CC)CCNCC,"InChI=1/C10H25N3/c1-4-11-7-9-13(6-3)10-8-12-5-2/h11-12H,4-10H2,1-3H3",C10H25N3,,,,,,ICDOTLXZHXEZNU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.501,204-949-3,129-46-4,Suramin sodium,"hexasodium 8-[(4-methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfonato-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C51H40N6O23S6.6Na/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80;;;;;;/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;6*+1/p-6",C51H40N6O23S6.6Na,,,,,,VAPNKLKDKUDFHK-UHFFFAOYSA-H,,,,,,,,,,,
100.004.503,204-951-4,129-50-0,Ergometrine tartrate,"N-(2-hydroxy-1-methylethyl)-6-methyl-9,10-didehydroergoline-8-carboxamide 2,3-dihydroxysuccinate (salt)",C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(C(O)C(=O)O)C(=O)O,C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C19H23N3O2.C4H6O6/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-1(3(7)8)2(6)4(9)10/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2,5-6H,(H,7,8)(H,9,10)",C19H23N3O2.1/2C4H6O6,,,,,,VGCBXONYFMDCTE-VSDOXBCFSA-N,,,,,,,,,,,
100.004.509,204-958-2,129-66-8,"2,4,6-trinitrobenzoic acid","2,4,6-trinitrobenzoic acid",OC(=O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)",C7H3N3O8,,,,,,KAQBNBSMMVTKRN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.512,204-961-9,129-73-7,"N,N,N',N'-tetramethyl-4,4'-benzylidenedianiline","4,4'-(phenylmethylene)bis(N,N-dimethylaniline)",CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C,"InChI=1/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3",C23H26N2,,,,,,WZKXBGJNNCGHIC-UHFFFAOYSA-N,Positive,AU565706,[M+H]+,CIDRAMP 22.2-33.3,239.1543:331.2171:316.1929,Athens_Univ,,,,,
100.004.514,204-964-5,129-77-1,Piperidolate hydrochloride,1-ethylpiperidin-3-yl diphenylacetate hydrochloride,Cl.CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3,Cl.CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3,"InChI=1/C21H25NO2.ClH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H",C21H25NO2.ClH,,,,,,RBGWCEWDAHDPEH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.519,204-969-2,129-91-9,"8-aminonaphthalene-1,6-disulphonic acid","8-aminonaphthalene-1,6-disulfonic acid",Nc1cc(cc2cccc(c12)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(cc2cccc(c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,YDEOXZHCPCPPJG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.520,204-970-8,129-93-1,"6,8-dianilinonaphthalene-1-sulphonic acid","6,8-dianilinonaphthalene-1-sulfonic acid",OS(=O)(=O)c1cccc2cc(Nc3ccccc3)cc(Nc4ccccc4)c12,OS(=O)(=O)c1cccc2cc(Nc3ccccc3)cc(Nc4ccccc4)c12,"InChI=1/C22H18N2O3S/c25-28(26,27)21-13-7-8-16-14-19(23-17-9-3-1-4-10-17)15-20(22(16)21)24-18-11-5-2-6-12-18/h1-15,23-24H,(H,25,26,27)",C22H18N2O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18883,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.520,USFSONWQSVCJBO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.521,204-971-3,129-94-2,(8-chloro-1-naphthylthio)acetic acid,[(8-chloro-1-naphthyl)sulfanyl]acetic acid,OC(=O)CSc1cccc2cccc(Cl)c12,OC(=O)CSc1cccc2cccc(Cl)c12,"InChI=1/C12H9ClO2S/c13-9-5-1-3-8-4-2-6-10(12(8)9)16-7-11(14)15/h1-6H,7H2,(H,14,15)",C12H9ClO2S,,,,,,WPNAGQJVWAFQJV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.526,204-977-6,130-15-4,"1,4-naphthoquinone","1,4-naphthoquinone",O=C1C=CC(=O)c2ccccc12,O=C1C=CC(=O)c2ccccc12,InChI=1/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,C10H6O2,,,,,,FRASJONUBLZVQX-UHFFFAOYSA-N,Positive/Negative,UA001803,[M+H]+,CID35,159.0443,UFZ_Additional_Specs,UA001805,[M]-,CID35,158.0372:115.0192,UFZ_Additional_Specs
100.004.527,204-978-1,130-16-5,Cloxiquine,5-chloroquinolin-8-ol,Oc1ccc(Cl)c2cccnc12,Oc1ccc(Cl)c2cccnc12,"InChI=1/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H",C9H6ClNO,,,,,,CTQMJYWDVABFRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.529,204-980-2,130-20-1,"7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone","7,16-dichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrone",Clc1cc2C(=O)c3ccccc3C(=O)c2c4Nc5c(Cl)cc6C(=O)c7ccccc7C(=O)c6c5Nc14,Clc1cc2C(=O)c3ccccc3C(=O)c2c4Nc5c(Cl)cc6C(=O)c7ccccc7C(=O)c6c5Nc14,"InChI=1/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H",C28H12Cl2N2O4,,,,,,UGCDBQWJXSAYIL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.532,204-983-9,130-24-5,4-hydroxy-3-methyl-1-naphthylammonium chloride,4-hydroxy-3-methylnaphthalen-1-aminium chloride,[Cl-].Cc1cc([NH3+])c2ccccc2c1O,[Cl-].Cc1cc([NH3+])c2ccccc2c1O,"InChI=1/C11H11NO.ClH/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;/h2-6,13H,12H2,1H3;1H",C11H11NO.ClH,,,,,,LZRUOHAYVULQID-UHFFFAOYSA-N,,,,,,,,,,,
100.004.533,204-984-4,130-26-7,Clioquinol,5-chloro-7-iodoquinolin-8-ol,Oc1c(I)cc(Cl)c2cccnc12,Oc1c(I)cc(Cl)c2cccnc12,"InChI=1/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",C9H5ClINO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12139,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.533,QCDFBFJGMNKBDO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.106,204-515-3,122-01-0,4-chlorobenzoyl chloride,4-chlorobenzoyl chloride,ClC(=O)c1ccc(Cl)cc1,ClC(=O)c1ccc(Cl)cc1,InChI=1/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,C7H4Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5601,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.106,RKIDDEGICSMIJA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.109,204-519-5,122-06-5,Stilbamidine,"4,4'-ethene-1,2-diyldibenzenecarboximidamide",NC(=N)c1ccc(C=Cc2ccc(cc2)C(=N)N)cc1,NC(=N)c1ccc(C=Cc2ccc(cc2)C(=N)N)cc1,"InChI=1/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)",C16H16N4,,,,,,MMURVNDSFNJHAM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.113,204-523-7,122-11-2,Sulfadimethoxine,"4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide",COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,"InChI=1/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",C12H14N4O4S,,,,,,ZZORFUFYDOWNEF-UHFFFAOYSA-N,Positive/Negative,mzcloud:1140,[M+H]+;[M+Na]+,HCD_Averaged,156.0114:108.0444:110.0600:92.0495:65.0386:68.0495:80.04947:156.0767:141.05327:173.0583:218.02300:230.0798:245.1033,HighChem,mzcloud:1140,[M-H]-,HCD_Averaged,66.0098:65.0145:92.0254:107.0125:122.0360:131.06141:139.03871:144.05673:154.06221:171.02336:174.06728:188.04655:195.02337:215.05745:229.07309:230.08091,HighChem
100.004.114,204-524-2,122-14-5,Fenitrothion,"O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate",COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],"InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3",C9H12NO5PS,,,,,,ZNOLGFHPUIJIMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.119,204-530-5,122-25-8,"5,5'-methylenedi(salicylic acid)","3,3'-methylenebis(6-hydroxybenzoic acid)",OC(=O)c1cc(Cc2ccc(O)c(c2)C(=O)O)ccc1O,OC(=O)c1cc(Cc2ccc(O)c(c2)C(=O)O)ccc1O,"InChI=1/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)",C15H12O6,,,,,,JWQFKVGACKJIAV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.120,204-531-0,122-27-0,m-tolyl phenylacetate,3-methylphenyl phenylacetate,Cc1cccc(OC(=O)Cc2ccccc2)c1,Cc1cccc(OC(=O)Cc2ccccc2)c1,"InChI=1/C15H14O2/c1-12-6-5-9-14(10-12)17-15(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3",C15H14O2,,,,,,LSWZGOVODYFNQO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.132,204-544-1,122-44-1,3-phenylpropyl phenylacetate,3-phenylpropyl phenylacetate,O=C(Cc1ccccc1)OCCCc2ccccc2,O=C(Cc1ccccc1)OCCCc2ccccc2,"InChI=1/C17H18O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2",C17H18O2,,,,,,KBXZBPLAQDTVAW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.133,204-545-7,122-45-2,Octyl phenylacetate,octyl phenylacetate,CCCCCCCCOC(=O)Cc1ccccc1,CCCCCCCCOC(=O)Cc1ccccc1,"InChI=1/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3",C16H24O2,,,,,,VGYPAVUJUMQTGE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.134,204-546-2,122-46-3,m-tolyl acetate,3-methylphenyl acetate,CC(=O)Oc1cccc(C)c1,CC(=O)Oc1cccc(C)c1,"InChI=1/C9H10O2/c1-7-4-3-5-9(6-7)11-8(2)10/h3-6H,1-2H3",C9H10O2,,,,,,OTGAHJPFNKQGAE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.135,204-547-8,122-47-4,"1-(3,4-dimethoxyphenyl)-2-nitropropene","1,2-dimethoxy-4-(2-nitroprop-1-en-1-yl)benzene",COc1cc(ccc1OC)C=C(C)[N+]([O-])=O,COc1cc(ccc1OC)C=C(C)[N+]([O-])=O,"InChI=1/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)11(7-9)16-3/h4-7H,1-3H3",C11H13NO4,,,,,,JGFBGRHDJMANRR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.137,204-549-9,122-49-6,3-semicarbazidobenzamide,1-(3-carbamoylphenyl)hydrazinecarboxamide,NN(C(=O)N)c1cccc(c1)C(=O)N,NN(C(=O)N)c1cccc(c1)C(=O)N,"InChI=1/C8H10N4O2/c9-7(13)5-2-1-3-6(4-5)12(11)8(10)14/h1-4H,11H2,(H2,9,13)(H2,10,14)",C8H10N4O2,,,,,,MNLRQZWWNKRFBL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.144,204-557-2,122-60-1,"2,3-epoxypropyl phenyl ether",2-(phenoxymethyl)oxirane,C(Oc1ccccc1)C2CO2,C(Oc1ccccc1)C2CO2,"InChI=1/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2",C9H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11540,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.144,FQYUMYWMJTYZTK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.151,204-565-6,122-68-9,3-phenylpropyl cinnamate,3-phenylpropyl 3-phenylacrylate,O=C(OCCCc1ccccc1)\\C=C\\c2ccccc2,O=C(OCCCc1ccccc1)\C=C\c2ccccc2,"InChI=1/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2",C18H18O2,,,,,,LYRAHIUDQRJGGZ-BUHFOSPRSA-N,,,,,,,,,,,
100.004.152,204-566-1,122-69-0,Cinnamyl cinnamate,3-phenylprop-2-en-1-yl 3-phenylacrylate,O=C(OC\\C=C\\c1ccccc1)\\C=C\\c2ccccc2,O=C(OC\C=C\c1ccccc1)\C=C\c2ccccc2,"InChI=1/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2",C18H16O2,,,,,,NQBWNECTZUOWID-MZXMXVKLSA-N,,,,,,,,,,,
100.003.552,203-907-1,111-78-4,"Cycloocta-1,5-diene","cycloocta-1,5-diene",C1CC=CCCC=C1,C1CC=CCCC=C1,"InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2",C8H12,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1736,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.552,VYXHVRARDIDEHS-QGTKBVGQSA-N,,,,,,,,,,,
100.003.554,203-909-2,111-80-8,Methyl non-2-ynoate,methyl non-2-ynoate,CCCCCCC#CC(=O)OC,CCCCCCC#CC(=O)OC,"InChI=1/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3",C10H16O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18707,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.554,NTLJTUMJJWVCTL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.570,203-927-0,112-00-5,Dodecyltrimethylammonium chloride,"N,N,N-trimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1",C15H34N.Cl,,,,,,DDXLVDQZPFLQMZ-UHFFFAOYSA-M,,,,,,,,,,,
100.000.372,200-409-6,58-98-0,Uridine 5'-(trihydrogen diphosphate),uridine 5'-(trihydrogen diphosphate),O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O,"InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)",C9H14N2O12P2,,,,,,XCCTYIAWTASOJW-XVFCMESISA-N,,,,,,,,,,,
100.000.376,200-413-8,59-05-2,Methotrexate,"N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid",CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)",C20H22N8O5,,,,,,FBOZXECLQNJBKD-ZDUSSCGKSA-N,,,,,,,,,,,
100.000.384,200-422-7,59-33-6,Mepyramine maleate,"N-(4-methoxybenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine but-2-enedioate",COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.OC(=O)\\C=C/C(=O)O,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.OC(=O)\C=C/C(=O)O,"InChI=1/C17H23N3O.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C17H23N3O.C4H4O4,,,,,,JXYWFNAQESKDNC-BTJKTKAUSA-N,,,,,,,,,,,
100.000.386,200-424-8,59-42-7,Phenylephrine,3-[1-hydroxy-2-(methylamino)ethyl]phenol,CNC[C@H](O)c1cccc(O)c1,CNC[C@H](O)c1cccc(O)c1,"InChI=1/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3",C9H13NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7811,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.386,SONNWYBIRXJNDC-VIFPVBQESA-N,Positive,EQ333901|EQ333902|EQ333903|EQ333904|EQ333905|EQ333906,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,150.0915:168.1018:109.0647|150.0915:109.0647:168.1018|150.0914:109.0648:91.0542|150.0913:91.0542:135.0678|91.0542:135.0678:109.0648|91.0542:107.0491:135.0678,Eawag,,,,,
100.000.394,200-433-7,59-52-9,Dimercaprol,"2,3-disulfanylpropan-1-ol",OCC(S)CS,OCC(S)CS,"InChI=1/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2",C3H8OS2,,,,,,WQABCVAJNWAXTE-UHFFFAOYSA-N,,,,,,,,,,,
100.000.397,200-436-3,59-58-5,Prosultiamine,N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldisulfanyl)but-1-en-1-yl]formamide,Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC,Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC,"InChI=1/C15H24N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)",C15H24N4O2S2,,,,,,UDCIYVVYDCXLSX-UHFFFAOYSA-N,,,,,,,,,,,
100.000.402,200-442-6,59-85-8,4-chloromercuriobenzoic acid,(4-carboxyphenyl)(chloro)mercury,OC(=O)c1ccc([Hg]Cl)cc1,OC(=O)c1ccc([Hg]Cl)cc1,"InChI=1/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1/rC7H5ClHgO2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4H,(H,10,11)",C7H4ClHgO2.H,,,,,,YFZOUMNUDGGHIW-UHFFFAOYSA-M,,,,,,,,,,,
100.000.408,200-448-9,59-98-3,Tolazoline,"2-benzyl-4,5-dihydro-1H-imidazole",C(C1=NCCN1)c2ccccc2,C(C1=NCCN1)c2ccccc2,"InChI=1/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)",C10H12N2,,,,,,JIVZKJJQOZQXQB-UHFFFAOYSA-N,,,,,,,,,,,
100.000.414,200-455-7,60-11-7,4-dimethylaminoazobenzene,"N,N-dimethyl-4-(phenyldiazenyl)aniline",CN(C)c1ccc(cc1)N=Nc2ccccc2,CN(C)c1ccc(cc1)N=Nc2ccccc2,"InChI=1/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3",C14H15N3,,,,,,JCYPECIVGRXBMO-UHFFFAOYSA-N,,,,,,,,,,,
100.000.421,200-463-0,60-23-1,Mercaptamine,2-aminoethanethiol,NCCS,NCCS,"InChI=1/C2H7NS/c3-1-2-4/h4H,1-3H2",C2H7NS,,,,,,UFULAYFCSOUIOV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.426,200-468-8,60-31-1,Acetylcholine chloride,"2-acetoxy-N,N,N-trimethylethanaminium chloride",[Cl-].CC(=O)OCC[N+](C)(C)C,[Cl-].CC(=O)OCC[N+](C)(C)C,"InChI=1/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",C7H16NO2.Cl,,,,,,JUGOREOARAHOCO-UHFFFAOYSA-M,,,,,,,,,,,
100.000.429,200-471-4,60-34-4,Methylhydrazine,methylhydrazine,CNN,CNN,"InChI=1/CH6N2/c1-3-2/h3H,2H2,1H3",CH6N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13414,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.429,HDZGCSFEDULWCS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.432,200-475-6,60-39-9,"11ß,17-dihydroxy-21-(4-methyl-1-piperazinyl)pregna-1,4-diene-3,20-dione monohydrochloride","11,17-dihydroxy-21-(4-methylpiperazin-1-yl)pregna-1,4-diene-3,20-dione hydrochloride",Cl.CN1CCN(CC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)CC1,Cl.CN1CCN(CC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)CC1,"InChI=1/C26H38N2O4.ClH/c1-24-8-6-18(29)14-17(24)4-5-19-20-7-9-26(32,25(20,2)15-21(30)23(19)24)22(31)16-28-12-10-27(3)11-13-28;/h6,8,14,19-21,23,30,32H,4-5,7,9-13,15-16H2,1-3H3;1H",C26H38N2O4.ClH,,,,,,OHMBNBZVSGNWEE-HEBJBRBZSA-N,,,,,,,,,,,
100.000.433,200-476-1,60-40-2,Mecamylamine,"N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine",CNC1(C)C2CCC(C2)C1(C)C,CNC1(C)C2CCC(C2)C1(C)C,"InChI=1/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3",C11H21N,,,,,,IMYZQPCYWPFTAG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.435,200-478-2,60-44-6,2-(a-cyclopentyl-a-2-thienylglycolloyloxy)ethyldiethyl(methyl)ammonium bromide,"2-[2-cyclopentyl(hydroxy)2-thienylacetoxy]-N,N-diethyl-N-methylethanaminium",CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCC1)c2cccs2,CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCC1)c2cccs2,"InChI=1/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1",C18H30NO3S.Br,,,,,,NEMLPWNINZELKP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.436,200-479-8,60-46-8,Dimevamide,"4-(dimethylamino)-2,2-diphenylpentanamide",CC(CC(C(=O)N)(c1ccccc1)c2ccccc2)N(C)C,CC(CC(C(=O)N)(c1ccccc1)c2ccccc2)N(C)C,"InChI=1/C19H24N2O/c1-15(21(2)3)14-19(18(20)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H2,20,22)",C19H24N2O,,,,,,NARHAGIVSFTMIG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.046,203-349-9,105-97-5,Didecyl adipate,didecyl adipate,CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC,"InChI=1/C26H50O4/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-18-22-26(28)30-24-20-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C26H50O4,,,,,,HCQHIEGYGGJLJU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.048,203-352-5,106-00-3,Bis(2-methoxyethyl) adipate,bis(2-methoxyethyl) adipate,COCCOC(=O)CCCCC(=O)OCCOC,COCCOC(=O)CCCCC(=O)OCCOC,"InChI=1/C12H22O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3-10H2,1-2H3",C12H22O6,,,,,,GVRNUDCCYWKHMV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.052,203-356-7,106-05-8,6-methylheptyl palmitate,6-methylheptyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C,CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C,"InChI=1/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3",C24H48O2,,,,,,CJSPFDQEYQBDNN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.054,203-358-8,106-07-0,2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl stearate,2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCO,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCO,"InChI=1/C26H52O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)32-25-24-31-23-22-30-21-20-29-19-18-27/h27H,2-25H2,1H3",C26H52O6,,,,,,SBKDIDITONHJHI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.065,203-370-3,106-18-3,Butyl laurate,butyl laurate,CCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCC(=O)OCCCC,"InChI=1/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3",C16H32O2,,,,,,NDKYEUQMPZIGFN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.067,203-372-4,106-20-7,Bis(2-ethylhexyl)amine,2-ethyl-N-(2-ethylhexyl)hexan-1-amine,CCCCC(CC)CNCC(CC)CCCC,CCCCC(CC)CNCC(CC)CCCC,"InChI=1/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3",C16H35N,Full,Joint,1+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5450,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.067,SAIKULLUBZKPDA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.068,203-374-5,106-21-8,"3,7-dimethyloctan-1-ol","3,7-dimethyloctan-1-ol",CC(C)CCCC(C)CCO,CC(C)CCCC(C)CCO,"InChI=1/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3",C10H22O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11720,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.068,PRNCMAKCNVRZFX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.070,203-376-6,106-23-0,Citronellal,"3,7-dimethyloct-6-enal",CC(CCC=C(C)C)CC=O,CC(CCC=C(C)C)CC=O,"InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3",C10H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11672,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.070,NEHNMFOYXAPHSD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.071,203-377-1,106-24-1,Geraniol,"3,7-dimethylocta-2,6-dien-1-ol",CC(=CCC\\C(=C\\CO)\\C)C,CC(=CCC\C(=C\CO)\C)C,"InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3",C10H18O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14184,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.071,GLZPCOQZEFWAFX-JXMROGBWSA-N,,,,,,,,,,,
100.003.072,203-378-7,106-25-2,Nerol,"3,7-dimethylocta-2,6-dien-1-ol",CC(=CCC\\C(=C\\CO)\\C)C,CC(=CCC\C(=C\CO)\C)C,"InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3",C10H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10345,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.072,GLZPCOQZEFWAFX-JXMROGBWSA-N,,,,,,,,,,,
100.003.085,203-392-3,106-39-8,1-bromo-4-chlorobenzene,1-bromo-4-chlorobenzene,Clc1ccc(Br)cc1,Clc1ccc(Br)cc1,InChI=1/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H,C6H4BrCl,,,,,,NHDODQWIKUYWMW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.092,203-400-5,106-46-7,"1,4-dichlorobenzene","1,4-dichlorobenzene",Clc1ccc(Cl)cc1,Clc1ccc(Cl)cc1,InChI=1/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H,C6H4Cl2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14821,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.092,OCJBOOLMMGQPQU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.093,203-401-0,106-47-8,4-chloroaniline,4-chloroaniline,Nc1ccc(Cl)cc1,Nc1ccc(Cl)cc1,"InChI=1/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",C6H6ClN,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1796,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.093,QSNSCYSYFYORTR-UHFFFAOYSA-N,Positive,SM825801;UF413801|UF413802|UF413803|UF413804,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,128.026:93.0572:139.0055;128.0266:93.0576:139.0063|93.0576:128.0266:139.0063|93.0575:128.0265|93.0575,CASMI_2016;UFZ,,,,,
100.003.094,203-402-6,106-48-9,4-chlorophenol,4-chlorophenol,Oc1ccc(Cl)cc1,Oc1ccc(Cl)cc1,"InChI=1/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H",C6H5ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6736,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.094,WXNZTHHGJRFXKQ-UHFFFAOYSA-N,Positive/Negative,EQ306601|EQ306602|EQ306603|EQ306604|EQ306605|EQ306606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,129.0102:97.0284:85.0283|129.0103:69.0335:55.0179|129.0103:69.0335:94.0413|69.0335:129.0103:94.0413|69.0335:94.0413:65.0386|94.0413:65.0386:69.0334,Eawag,EQ306651|EQ306652|EQ306653|EQ306654|EQ306655|EQ306656,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,126.9956:91.0189|126.9956:91.0189|126.9956:91.0189|126.9956:91.0189|126.9956:91.0189|126.9956:91.0189,Eawag
100.003.096,203-404-7,106-50-3,p-phenylenediamine,"benzene-1,4-diamine",Nc1ccc(N)cc1,Nc1ccc(N)cc1,"InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2",C6H8N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14562,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.096,CBCKQZAAMUWICA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.098,203-406-8,106-52-5,1-methylpiperidin-4-ol,1-methylpiperidin-4-ol,CN1CCC(O)CC1,CN1CCC(O)CC1,"InChI=1/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3",C6H13NO,,,,,,BAUWRHPMUVYFOD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.100,203-408-9,106-54-7,4-chlorobenzenethiol,4-chlorobenzenethiol,Sc1ccc(Cl)cc1,Sc1ccc(Cl)cc1,"InChI=1/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H",C6H5ClS,,,,,,VZXOZSQDJJNBRC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.108,203-417-8,106-63-8,Isobutyl acrylate,isobutyl acrylate,CC(C)COC(=O)C=C,CC(C)COC(=O)C=C,"InChI=1/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3",C7H12O2,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13347,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.108,CFVWNXQPGQOHRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.112,203-422-5,106-67-2,2-ethyl-4-methylpentan-1-ol,2-ethyl-4-methylpentan-1-ol,CCC(CO)CC(C)C,CCC(CO)CC(C)C,"InChI=1/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3",C8H18O,,,,,,QCHSJPKDWOFACC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.111,204-521-6,122-08-7,Benzyltrimethylammonium methanolate,"N,N,N-trimethyl(phenyl)methanaminium methanolate",C[O-].C[N+](C)(C)Cc1ccccc1,C[O-].C[N+](C)(C)Cc1ccccc1,"InChI=1/C10H16N.CH3O/c1-11(2,3)9-10-7-5-4-6-8-10;1-2/h4-8H,9H2,1-3H3;1H3/q+1;-1",C10H16N.CH3O,,,,,,SMTUJUHULKBTBS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.534,204-986-5,130-34-7,"2-(p-nitrophenyl)-2H-naphtho[1,2-d]triazole-6,8-disulphonic acid","2-(4-nitrophenyl)-2H-naphtho[1,2-d][1,2,3]triazole-6,8-disulfonic acid",OS(=O)(=O)c1cc(c2ccc3nn(nc3c2c1)c4ccc(cc4)[N+](=O)[O-])S(=O)(=O)O,OS(=O)(=O)c1cc(c2ccc3nn(nc3c2c1)c4ccc(cc4)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C16H10N4O8S2/c21-20(22)10-3-1-9(2-4-10)19-17-14-6-5-12-13(16(14)18-19)7-11(29(23,24)25)8-15(12)30(26,27)28/h1-8H,(H,23,24,25)(H,26,27,28)",C16H10N4O8S2,,,,,,YHIPGHKFOXNVKS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.536,204-988-6,130-40-5,Riboflavin 5'-(sodium hydrogen phosphate),"sodium 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-(hydroxyphosphinato)pentitol",Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)O[Na])c2cc1C,Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)O[Na])c2cc1C,"InChI=1/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/rC17H20N4NaO9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(26)20-17(27)19-15)5-11(23)14(25)12(24)6-30-32(28,29)31-22/h3-4,11-12,14,23-25H,5-6H2,1-2H3,(H,28,29)(H,20,26,27)",C17H21N4O9P.Na,,,,,,OHSHFZJLPYLRIP-UHFFFAOYSA-M,,,,,,,,,,,
100.004.537,204-989-1,130-42-7,"N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine hydrochloride","N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine hydrochloride",Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,"InChI=1/C23H30ClN3O.ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);1H",C23H30ClN3O.ClH,,,,,,UKZANTJXIMWQCH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.538,204-990-7,130-49-4,Adenosine 2'-phosphate hemihydrate,9-(2-O-phosphonopentofuranosyl)-9H-purin-6-amine,Nc1ncnc2c1ncn2C3OC(CO)C(O)C3OP(=O)(O)O,Nc1ncnc2c1ncn2C3OC(CO)C(O)C3OP(=O)(O)O,"InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)",C10H14N5O7P,,,,,,QDFHPFSBQFLLSW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.540,204-992-8,130-61-0,Thioridazine hydrochloride,10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine hydrochloride,Cl.CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1,Cl.CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1,"InChI=1/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H",C21H26N2S2.ClH,,,,,,NZFNXWQNBYZDAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.544,204-997-5,130-83-6,"6-allyl-6,7-dihydro-5H-dibenz[c,e]azepinium dihydrogen phosphate","6-allyl-6,7-dihydro-5H-dibenzo[c,e]azepinium dihydrogen phosphate",[O-]P(=O)([O-])[O-].C=CC[NH+]1Cc2ccccc2c3ccccc3C1,[O-]P(=O)([O-])[O-].C=CC[NH+]1Cc2ccccc2c3ccccc3C1,"InChI=1/C17H17N.H3O4P/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18;1-5(2,3)4/h2-10H,1,11-13H2;(H3,1,2,3,4)/p-2",C17H17N.H3O4P,,,,,,SRNXLNNBIYZIHB-UHFFFAOYSA-L,,,,,,,,,,,
100.004.547,205-000-6,130-87-0,"(8a,9R)-10,11-dihydro-6'-[(6-methylheptyl)oxy]cinchonan-9-ol","6'-[(6-methylheptyl)oxy]-10,11-dihydrocinchonan-9-ol",CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OCCCCCC(C)C)cc34,CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OCCCCCC(C)C)cc34,"InChI=1/C27H40N2O2/c1-4-20-18-29-14-12-21(20)16-26(29)27(30)23-11-13-28-25-10-9-22(17-24(23)25)31-15-7-5-6-8-19(2)3/h9-11,13,17,19-21,26-27,30H,4-8,12,14-16,18H2,1-3H3",C27H40N2O2,,,,,,DIOGDSVVUWNLHM-LKSLQULUSA-N,,,,,,,,,,,
100.004.550,205-003-2,130-95-0,Quinine,6'-methoxycinchonan-9-ol,COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4C[C@@H]3CC[N@]4C[C@@H]3C=C,COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4C[C@@H]3CC[N@]4C[C@@H]3C=C,"InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3",C20H24N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16572,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.550,LOUPRKONTZGTKE-WZBLMQSHSA-N,,,,,,,,,,,
100.004.551,205-004-8,131-01-1,Deserpidine,"methyl 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate",CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,"InChI=1/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3",C32H38N2O8,,,,,,CVBMAZKKCSYWQR-WCGOZPBSSA-N,,,,,,,,,,,
100.004.555,205-009-5,131-08-8,"Sodium 9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1,[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C14H8O5S.Na/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;/h1-7H,(H,17,18,19);/q;+1/p-1",C14H8O5S.Na,,,,,,GGCZERPQGJTIQP-UHFFFAOYSA-M,,,,,,,,,,,
100.003.572,203-929-1,112-03-8,Trimethyloctadecylammonium chloride,"N,N,N-trimethyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1",C21H46N.Cl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10127,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.572,VBIIFPGSPJYLRR-UHFFFAOYSA-M,,,,,,,,,,,
100.003.574,203-931-2,112-05-0,Nonanoic acid,nonanoic acid,CCCCCCCCC(=O)O,CCCCCCCCC(=O)O,"InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",C9H18O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13098,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.574,FBUKVWPVBMHYJY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.577,203-934-9,112-10-7,Isopropyl stearate,isopropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3",C21H42O2,,,,,,ZPWFUIUNWDIYCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.579,203-937-5,112-12-9,Undecan-2-one,undecan-2-one,CCCCCCCCCC(=O)C,CCCCCCCCCC(=O)C,"InChI=1/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",C11H22O,,,,,,KYWIYKKSMDLRDC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.580,203-938-0,112-13-0,Decanoyl chloride,decanoyl chloride,CCCCCCCCCC(=O)Cl,CCCCCCCCCC(=O)Cl,"InChI=1/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3",C10H19ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5891,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.580,IPIVAXLHTVNRBS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.581,203-939-6,112-14-1,Octyl acetate,octyl acetate,CCCCCCCCOC(=O)C,CCCCCCCCOC(=O)C,"InChI=1/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3",C10H20O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18731,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.581,YLYBTZIQSIBWLI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.584,203-942-2,112-17-4,Decyl acetate,decyl acetate,CCCCCCCCCCOC(=O)C,CCCCCCCCCCOC(=O)C,"InChI=1/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3",C12H24O2,,,,,,NUPSHWCALHZGOV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.585,203-943-8,112-18-5,Dodecyldimethylamine,"N,N-dimethyldodecan-1-amine",CCCCCCCCCCCCN(C)C,CCCCCCCCCCCCN(C)C,"InChI=1/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3",C14H31N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14856,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.585,YWFWDNVOPHGWMX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.590,203-949-0,112-23-2,Heptyl formate,heptyl formate,CCCCCCCOC=O,CCCCCCCOC=O,"InChI=1/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3",C8H16O2,,,,,,XEAMDSXSXYAICO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.591,203-950-6,112-24-3,Trientine,"N,N'-bis(2-aminoethyl)ethane-1,2-diamine",NCCNCCNCCN,NCCNCCNCCN,"InChI=1/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2",C6H18N4,,,,,,VILCJCGEZXAXTO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.597,203-956-9,112-30-1,Decan-1-ol,decan-1-ol,CCCCCCCCCCO,CCCCCCCCCCO,"InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",C10H22O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15951,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.597,MWKFXSUHUHTGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.598,203-957-4,112-31-2,Decanal,decanal,CCCCCCCCCC=O,CCCCCCCCCC=O,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",C10H20O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13619,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.598,KSMVZQYAVGTKIV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.602,203-962-1,112-35-6,2-(2-(2-methoxyethoxy)ethoxy)ethanol,2-[2-(2-methoxyethoxy)ethoxy]ethanol,COCCOCCOCCO,COCCOCCOCCO,"InChI=1/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3",C7H16O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14921,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.602,JLGLQAWTXXGVEM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.603,203-963-7,112-36-7,Bis(2-ethoxyethyl) ether,1-ethoxy-2-(2-ethoxyethoxy)ethane,CCOCCOCCOCC,CCOCCOCCOCC,"InChI=1/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3",C8H18O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5924,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.603,RRQYJINTUHWNHW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.604,203-964-2,112-37-8,Undecanoic acid,undecanoic acid,CCCCCCCCCCC(=O)O,CCCCCCCCCCC(=O)O,"InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)",C11H22O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16828,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.604,ZDPHROOEEOARMN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.605,203-965-8,112-38-9,Undec-10-enoic acid,undec-10-enoic acid,OC(=O)CCCCCCCCC=C,OC(=O)CCCCCCCCC=C,"InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",C11H20O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10078,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.605,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.155,204-569-8,122-72-5,3-phenylpropyl acetate,3-phenylpropyl acetate,CC(=O)OCCCc1ccccc1,CC(=O)OCCCc1ccccc1,"InChI=1/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3",C11H14O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18693,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.155,JRJGKUTZNBZHNK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.165,204-580-8,122-87-2,N-(4-hydroxyphenyl)glycine,N-(4-hydroxyphenyl)glycine,OC(=O)CNc1ccc(O)cc1,OC(=O)CNc1ccc(O)cc1,"InChI=1/C8H9NO3/c10-7-3-1-6(2-4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12)",C8H9NO3,,,,,,WRUZLCLJULHLEY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.167,204-582-9,122-91-8,Anisyl formate,4-methoxybenzyl formate,COc1ccc(COC=O)cc1,COc1ccc(COC=O)cc1,"InChI=1/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3",C9H10O3,,,,,,XPDORSROGAZEGY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.171,204-587-6,122-97-4,3-phenylpropan-1-ol,3-phenylpropan-1-ol,OCCCc1ccccc1,OCCCc1ccccc1,"InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",C9H12O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16763,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.171,VAJVDSVGBWFCLW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.173,204-589-7,122-99-6,2-phenoxyethanol,2-phenoxyethanol,OCCOc1ccccc1,OCCOc1ccccc1,"InChI=1/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",C8H10O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15160,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.173,QCDWFXQBSFUVSP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.440,200-484-5,60-57-1,Dieldrin,"3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene",ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,"InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2",C12H8Cl6O,,,,,,DFBKLUNHFCTMDC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.444,200-488-7,60-82-2,"3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one","3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one",Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,"InChI=1/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",C15H14O5,,,,,,VGEREEWJJVICBM-UHFFFAOYSA-N,,,,,,,,,,,
100.000.450,200-495-5,60-99-1,Levomepromazine,"3-(2-methoxy-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine",COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,"InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3",C19H24N2OS,,,,,,VRQVVMDWGGWHTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.451,200-496-0,61-00-7,Acepromazine,1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone,CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C,CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C,"InChI=1/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",C19H22N2OS,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6774,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.451,NOSIYYJFMPDDSA-UHFFFAOYSA-N,,,,,,,,,,,
100.000.453,200-498-1,61-12-1,Cinchocaine hydrochloride,2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide dihydrochloride,Cl.Cl.CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,Cl.Cl.CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,"InChI=1/C20H29N3O2.2ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);2*1H",C20H29N3O2.ClH,,,,,,RNNUWFKTFZBKLL-UHFFFAOYSA-N,,,,,,,,,,,
100.000.456,200-501-6,61-24-5,7-(5-amino-5-carboxyvaleramido)cephalosporanic acid,3-(acetoxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CCCC(N)C(=O)O)C2=O)C(=O)O,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CCCC(N)C(=O)O)C2=O)C(=O)O,"InChI=1/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)",C16H21N3O8S,,,,,,HOKIDJSKDBPKTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.466,202-712-9,98-91-9,Thiobenzoic acid,benzenecarbothioic S-acid,SC(=O)c1ccccc1,SC(=O)c1ccccc1,"InChI=1/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",C7H6OS,,,,,,UIJGNTRUPZPVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.468,202-715-5,98-94-2,Cyclohexyldimethylamine,"N,N-dimethylcyclohexanamine",CN(C)C1CCCCC1,CN(C)C1CCCCC1,"InChI=1/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3",C8H17N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13521,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.468,SVYKKECYCPFKGB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.471,202-718-1,98-97-5,Pyrazine-2-carboxylic acid,pyrazine-2-carboxylic acid,OC(=O)c1cnccn1,OC(=O)c1cnccn1,"InChI=1/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)",C5H4N2O2,,,,,,NIPZZXUFJPQHNH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.475,202-722-3,99-03-6,3'-aminoacetophenone,1-(3-aminophenyl)ethanone,CC(=O)c1cccc(N)c1,CC(=O)c1cccc(N)c1,"InChI=1/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3",C8H9NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17591,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.475,CKQHAYFOPRIUOM-UHFFFAOYSA-N,Positive,SM803501,[M+H]+,HCD35,136.0756:94.0651:91.0542,CASMI_2016,,,,,
100.002.476,202-723-9,99-04-7,m-toluic acid,3-methylbenzoic acid,Cc1cccc(c1)C(=O)O,Cc1cccc(c1)C(=O)O,"InChI=1/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O2,,,,,,GPSDUZXPYCFOSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.478,202-726-5,99-06-9,3-hydroxybenzoic acid,3-hydroxybenzoic acid,OC(=O)c1cccc(O)c1,OC(=O)c1cccc(O)c1,"InChI=1/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)",C7H6O3,,,,,,IJFXRHURBJZNAO-UHFFFAOYSA-N,Negative,,,,,,ML001351,[M-H]-,HCD50,137.0242:93.0345:109.0295,MetaboLights
100.002.481,202-729-1,99-09-2,3-nitroaniline,3-nitroaniline,Nc1cccc(c1)[N+](=O)[O-],Nc1cccc(c1)[N+](=O)[O-],"InChI=1/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2",C6H6N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16880,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.481,XJCVRTZCHMZPBD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.484,202-732-8,99-12-7,5-nitro-m-xylene,"1,3-dimethyl-5-nitrobenzene",Cc1cc(C)cc(c1)[N+](=O)[O-],Cc1cc(C)cc(c1)[N+](=O)[O-],"InChI=1/C8H9NO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3",C8H9NO2,,,,,,BYFNZOKBMZKTSC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.485,202-733-3,99-14-9,"Propane-1,2,3-tricarboxylic acid","propane-1,2,3-tricarboxylic acid",OC(=O)CC(CC(=O)O)C(=O)O,OC(=O)CC(CC(=O)O)C(=O)O,"InChI=1/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H8O6,,,,,,KQTIIICEAUMSDG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.487,202-735-4,99-16-1,Diureidoacetic acid,bis(carbamoylamino)acetic acid,NC(=O)NC(NC(=O)N)C(=O)O,NC(=O)NC(NC(=O)N)C(=O)O,"InChI=1/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)",C4H8N4O4,,,,,,NUCLJNSWZCHRKL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.115,204-525-8,122-15-6,"5,5-dimethyl-3-oxocyclohex-1-enyl dimethylcarbamate","5,5-dimethyl-3-oxocyclohex-1-en-1-yl dimethylcarbamate",CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1,CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1,"InChI=1/C11H17NO3/c1-11(2)6-8(13)5-9(7-11)15-10(14)12(3)4/h5H,6-7H2,1-4H3",C11H17NO3,,,,,,ITEQSCBLCCNACE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.117,204-527-9,122-19-0,Benzyldimethyl(octadecyl)ammonium chloride,"N-benzyl-N,N-dimethyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1",C27H50N.Cl,,,,,,SFVFIFLLYFPGHH-UHFFFAOYSA-M,,,,,,,,,,,
100.004.121,204-532-6,122-28-1,3'-nitroacetanilide,N-(3-nitrophenyl)acetamide,CC(=O)Nc1cccc(c1)[N+](=O)[O-],CC(=O)Nc1cccc(c1)[N+](=O)[O-],"InChI=1/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11)",C8H8N2O3,,,,,,KFTYNYHJHKCRKU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.123,204-534-7,122-32-7,"1,2,3-propanetriyl trioleate","propane-1,2,3-triyl trisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\\C=C/CCCCCCCC)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3",C57H104O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5426,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.123,PHYFQTYBJUILEZ-IUPFWZBJSA-N,,,,,,,,,,,
100.004.127,204-538-9,122-37-2,4-anilinophenol,4-anilinophenol,Oc1ccc(Nc2ccccc2)cc1,Oc1ccc(Nc2ccccc2)cc1,"InChI=1/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H",C12H11NO,,,,,,JTTMYKSFKOOQLP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.129,204-541-5,122-40-7,2-benzylideneheptanal,2-benzylideneheptanal,O=CC(CCCCC)=Cc1ccccc1,O=CC(CCCCC)=Cc1ccccc1,"InChI=1/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3",C14H18O,,,,,,HMKKIXGYKWDQSV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.130,204-542-0,122-42-9,Propham,isopropyl phenylcarbamate,CC(C)OC(=O)Nc1ccccc1,CC(C)OC(=O)Nc1ccccc1,"InChI=1/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)",C10H13NO2,,,,,,VXPLXMJHHKHSOA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.136,204-548-3,122-48-5,4-(4-hydroxy-3-methoxyphenyl)butan-2-one,4-(4-hydroxy-3-methoxyphenyl)butan-2-one,COc1cc(CCC(=O)C)ccc1O,COc1cc(CCC(=O)C)ccc1O,"InChI=1/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3",C11H14O3,,,,,,OJYLAHXKWMRDGS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.139,204-552-5,122-52-1,Triethyl phosphite,triethyl phosphite,CCOP(OCC)OCC,CCOP(OCC)OCC,"InChI=1/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3",C6H15O3P,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6481,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.139,BDZBKCUKTQZUTL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.142,204-555-1,122-57-6,4-phenylbutenone,4-phenylbut-3-en-2-one,CC(=O)C=Cc1ccccc1,CC(=O)C=Cc1ccccc1,"InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3",C10H10O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5367,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.142,BWHOZHOGCMHOBV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.148,204-561-4,122-65-6,"N,N'-dibenzyldithiooxamide","N,N'-bis(benzyldisulfanyl)ethanediamide",O=C(NSSCc1ccccc1)C(=O)NSSCc2ccccc2,O=C(NSSCc1ccccc1)C(=O)NSSCc2ccccc2,"InChI=1/C16H16N2O2S4/c19-15(17-23-21-11-13-7-3-1-4-8-13)16(20)18-24-22-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)",C16H16N2S2,,,,,,PPYYXRPTUYXTBH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.150,204-564-0,122-67-8,Isobutyl cinnamate,isobutyl 3-phenylacrylate,CC(C)COC(=O)\\C=C\\c1ccccc1,CC(C)COC(=O)\C=C\c1ccccc1,"InChI=1/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3",C13H16O2,,,,,,IQZUZPKOFSOVET-CMDGGOBGSA-N,,,,,,,,,,,
100.004.153,204-567-7,122-70-3,Phenethyl propionate,2-phenylethyl propionate,CCC(=O)OCCc1ccccc1,CCC(=O)OCCc1ccccc1,"InChI=1/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C11H14O2,,,,,,HVGZQCSMLUDISR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.551,203-906-6,111-77-3,2-(2-methoxyethoxy)ethanol,2-(2-methoxyethoxy)ethanol,COCCOCCO,COCCOCCO,"InChI=1/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3",C5H12O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14383,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.551,SBASXUCJHJRPEV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.553,203-908-7,111-79-5,Methyl non-2-enoate,methyl non-2-enoate,COC(=O)C=CCCCCCC,COC(=O)C=CCCCCCC,"InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3",C10H18O2,,,,,,ZWNPUELCBZVMDA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.559,203-915-5,111-85-3,1-chlorooctane,1-chlorooctane,CCCCCCCCCl,CCCCCCCCCl,"InChI=1/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",C8H17Cl,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1993,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.559,CNDHHGUSRIZDSL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.563,203-919-7,111-90-0,2-(2-ethoxyethoxy)ethanol,2-(2-ethoxyethoxy)ethanol,CCOCCOCCO,CCOCCOCCO,"InChI=1/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3",C6H14O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15867,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.563,XXJWXESWEXIICW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.564,203-920-2,111-91-1,Bis(2-chloroethoxy)methane,1-chloro-2-[(2-chloroethoxy)methoxy]ethane,ClCCOCOCCCl,ClCCOCOCCCl,InChI=1/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2,C5H10Cl2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13289,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.564,NLXGURFLBLRZRO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.560,205-014-2,131-15-7,Bis(1-methylheptyl) phthalate,bis(1-methylheptyl) phthalate,CCCCCCC(C)OC(=O)c1ccccc1C(=O)OC(C)CCCCCC,CCCCCCC(C)OC(=O)c1ccccc1C(=O)OC(C)CCCCCC,"InChI=1/C24H38O4/c1-5-7-9-11-15-19(3)27-23(25)21-17-13-14-18-22(21)24(26)28-20(4)16-12-10-8-6-2/h13-14,17-20H,5-12,15-16H2,1-4H3",C24H38O4,,,,,,RLRMXWDXPLINPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.563,205-017-9,131-18-0,Dipentyl phthalate,dipentyl phthalate,CCCCCOC(=O)c1ccccc1C(=O)OCCCCC,CCCCCOC(=O)c1ccccc1C(=O)OCCCCC,"InChI=1/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3",C18H26O4,,,,,,IPKKHRVROFYTEK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.573,205-028-9,131-55-5,"2,2',4,4'-tetrahydroxybenzophenone","bis(2,4-dihydroxyphenyl)methanone",Oc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1,Oc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1,"InChI=1/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H",C13H10O5,,,,,,WXNRYSGJLQFHBR-UHFFFAOYSA-N,Positive/Negative,TUE00121|TUE00122|TUE00123,[M+H]+,NA10.0V|NA20.0V|NA40.0V,137.0233:104.9922:247.0605|137.0233:124.0867:104.992|81.0336:137.0233:53.0386,Env_Anal_Chem_U_Tuebingen,SM833151;TUE00125|TUE00126|TUE00127,[M-H]-;[M-H]-,HCD35;NA10.0V|NA20.0V|NA40.0V,135.0086:245.0455:153.0193;135.0088:245.0456:109.0295|109.0295:135.0087:91.0188|109.0295:91.0188:65.0395,CASMI_2016;Env_Anal_Chem_U_Tuebingen
100.004.578,205-034-1,131-65-7,"2,4-dihydro-3-methyl-2-phenethyl-3H-pyrazol-3-one","2-(2-ethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CCc1ccccc1N2N=C(C)CC2=O,CCc1ccccc1N2N=C(C)CC2=O,"InChI=1/C12H14N2O/c1-3-10-6-4-5-7-11(10)14-12(15)8-9(2)13-14/h4-7H,3,8H2,1-2H3",C12H14N2O,,,,,,HKFAMUCGCCUZMC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.581,205-037-8,131-73-7,Dipicrylamine,"2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline",[O-][N+](=O)c1cc(c(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H",C12H5N7O12,,,,,,CBCIHIVRDWLAME-UHFFFAOYSA-N,,,,,,,,,,,
100.004.587,205-044-6,131-92-0,"N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis(benzamide)","N,N'-(5,10,15,17-tetraoxo-10,15,16,17-tetrahydro-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)dibenzamide",O=C(Nc1cccc2C(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c7c5[nH]c34)C(=O)c12)c9ccccc9,O=C(Nc1cccc2C(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c7c5[nH]c34)C(=O)c12)c9ccccc9,"InChI=1/C42H23N3O6/c46-37-24-14-7-8-15-25(24)38(47)34-33(37)30(44-42(51)22-12-5-2-6-13-22)20-28-23-18-19-27-32(35(23)45-36(28)34)40(49)26-16-9-17-29(31(26)39(27)48)43-41(50)21-10-3-1-4-11-21/h1-20,45H,(H,43,50)(H,44,51)",C42H23N3O6,,,,,,AAKMSGQPNUGLAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.601,205-059-8,132-35-4,"5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate","5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolidine-2,4-diium citrate",CCC(C1[NH2+]OC(CC[NH+](CC)CC)[NH2+]1)c2ccccc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CCC(C1[NH2+]OC(CC[NH+](CC)CC)[NH2+]1)c2ccccc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C17H29N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15-19H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C17H25N3O.C6H8O7,,,,,,WIWPWZCIXORYAP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.608,205-067-1,132-60-5,Cinchophen,2-phenylquinoline-4-carboxylic acid,OC(=O)c1cc(nc2ccccc12)c3ccccc3,OC(=O)c1cc(nc2ccccc12)c3ccccc3,"InChI=1/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)",C16H11NO2,,,,,,YTRMTPPVNRALON-UHFFFAOYSA-N,,,,,,,,,,,
100.004.610,205-069-2,132-62-7,"2-hydroxy-2',5'-dimethoxydibenzofuran-3-carboxanilide","N-(2,5-dimethoxyphenyl)-2-hydroxydibenzo[b,d]furan-3-carboxamide",COc1ccc(OC)c(NC(=O)c2cc3oc4ccccc4c3cc2O)c1,COc1ccc(OC)c(NC(=O)c2cc3oc4ccccc4c3cc2O)c1,"InChI=1/C21H17NO5/c1-25-12-7-8-19(26-2)16(9-12)22-21(24)15-11-20-14(10-17(15)23)13-5-3-4-6-18(13)27-20/h3-11,23H,1-2H3,(H,22,24)",C21H17NO5,,,,,,IWWAOEHIGYWDRA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.613,205-072-9,132-65-0,Dibenzothiophene,"dibenzo[b,d]thiophene",c1ccc2c(c1)sc3ccccc23,c1ccc2c(c1)sc3ccccc23,InChI=1/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,C12H8S,,,,,,IYYZUPMFVPLQIF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.618,205-078-1,132-75-2,1-naphthylacetonitrile,1-naphthylacetonitrile,N#CCc1cccc2ccccc12,N#CCc1cccc2ccccc12,"InChI=1/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2",C12H9N,,,,,,OQRMWUNUKVUHQO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.624,205-084-4,132-93-4,Pheneticillin potassium,"potassium 3,3-dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",[K+].CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-],[K+].CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-],"InChI=1/C17H20N2O5S.K/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19;/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23);/q;+1/p-1",C17H20N2O5S.K,,,,,,ORMNNUPLFAPCFD-DVLYDCSHSA-M,,,,,,,,,,,
100.004.625,205-086-5,132-98-9,Phenoxymethylpenicillin potassium,-,[K+].C[C@@]3(C)S[C@H]2N(C(=O)[C@H]2NC(=O)COc1ccccc1)[C@H]3C(O)=O,[K+].C[C@@]3(C)S[C@H]2N(C(=O)[C@H]2NC(=O)COc1ccccc1)[C@H]3C(O)=O,"InChI=1/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1",C16H18N2O5S.K,,,,,,HCTVWSOKIJULET-LQDWTQKMSA-N,,,,,,,,,,,
100.004.631,205-092-8,133-11-9,Fenamisal,phenyl 4-amino-2-hydroxybenzoate,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,"InChI=1/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2",C13H11NO3,,,,,,DNVVZWSVACQWJE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.175,204-591-8,123-01-3,Dodecylbenzene,dodecylbenzene,CCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCc1ccccc1,"InChI=1/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",C18H30,,,,,,KWKXNDCHNDYVRT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.180,204-597-0,123-06-8,Ethoxymethylenemalononitrile,(ethoxymethylene)malononitrile,CCOC=C(C#N)C#N,CCOC=C(C#N)C#N,"InChI=1/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3",C6H6N2O,,,,,,OEICGMPRFOJHKO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.184,204-601-0,123-10-4,"N,N-diethyl-N',N'-dimethylethylenediamine","N,N-diethyl-N',N'-dimethylethane-1,2-diamine",CCN(CC)CCN(C)C,CCN(CC)CCN(C)C,"InChI=1/C8H20N2/c1-5-10(6-2)8-7-9(3)4/h5-8H2,1-4H3",C8H20N2,,,,,,YUKZJEQIDOFUPV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.186,204-603-1,123-12-6,"3,9-diethyl-3,6,9-triazaundecane","N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine",CCN(CC)CCNCCN(CC)CC,CCN(CC)CCNCCN(CC)CC,"InChI=1/C12H29N3/c1-5-14(6-2)11-9-13-10-12-15(7-3)8-4/h13H,5-12H2,1-4H3",C12H29N3,,,,,,UICCSKORMGVRCB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.191,204-608-9,123-19-3,Heptan-4-one,heptan-4-one,CCCC(=O)CCC,CCCC(=O)CCC,"InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3",C7H14O,,,,,,HCFAJYNVAYBARA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.194,204-612-0,123-25-1,Diethyl succinate,diethyl succinate,CCOC(=O)CCC(=O)OCC,CCOC(=O)CCC(=O)OCC,"InChI=1/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3",C8H14O4,,,,,,DKMROQRQHGEIOW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.204,204-623-0,123-38-6,Propionaldehyde,propionaldehyde,CCC=O,CCC=O,"InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3",C3H6O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13148,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.204,NBBJYMSMWIIQGU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.208,204-627-2,123-43-3,Sulphoacetic acid,sulfoacetic acid,OC(=O)CS(=O)(=O)O,OC(=O)CS(=O)(=O)O,"InChI=1/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)",C2H4O5S,,,,,,AGGIJOLULBJGTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.212,204-631-4,123-48-8,"2,2,4,6,6-pentamethylhept-3-ene","2,2,4,6,6-pentamethylhept-3-ene",CC(C)(C)C=C(C)CC(C)(C)C,CC(C)(C)C=C(C)CC(C)(C)C,"InChI=1/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3",C12H24,,,,,,NBUMCEJRJRRLCA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.217,204-637-7,123-61-5,m-phenylene diisocyanate,"1,3-diisocyanatobenzene",O=C=Nc1cccc(c1)N=C=O,O=C=Nc1cccc(c1)N=C=O,InChI=1/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H,C8H4N2O2,,,,,,VGHSXKTVMPXHNG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.222,204-642-4,123-68-2,Allyl hexanoate,allyl hexanoate,CCCCCC(=O)OCC=C,CCCCCC(=O)OCC=C,"InChI=1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3",C9H16O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12389,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.222,RCSBILYQLVXLJG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.225,204-646-6,123-72-8,Butyraldehyde,butyraldehyde,CCCC=O,CCCC=O,"InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",C4H8O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15033,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.225,ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.228,204-649-2,123-76-2,4-oxovaleric acid,4-oxopentanoic acid,CC(=O)CCC(=O)O,CC(=O)CCC(=O)O,"InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)",C5H8O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17335,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.228,JOOXCMJARBKPKM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.230,204-651-3,123-78-4,"2-aminooctadec-4-ene-1,3-diol","2-aminooctadec-4-ene-1,3-diol",NC(CO)C(O)C=CCCCCCCCCCCCCC,NC(CO)C(O)C=CCCCCCCCCCCCCC,"InChI=1/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3",C18H37NO2,,,,,,WWUZIQQURGPMPG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.234,204-656-0,123-83-1,2-ethylaminoethyldimethylamine,"N'-ethyl-N,N-dimethylethane-1,2-diamine",CCNCCN(C)C,CCNCCN(C)C,"InChI=1/C6H16N2/c1-4-7-5-6-8(2)3/h7H,4-6H2,1-3H3",C6H16N2,,,,,,WLNSKTSWPYTNLY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.239,204-661-8,123-91-1,"1,4-dioxane","1,4-dioxane",C1COCCO1,C1COCCO1,InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,C4H8O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15842,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.239,RYHBNJHYFVUHQT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.242,204-664-4,123-94-4,Glycerol 1-stearate,"2,3-dihydroxypropyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3",C21H42O4,,,,,,VBICKXHEKHSIBG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.248,204-671-2,124-02-7,Diallylamine,N-allylprop-2-en-1-amine,C=CCNCC=C,C=CCNCC=C,"InChI=1/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2",C6H11N,,,,,,DYUWTXWIYMHBQS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.251,204-674-9,124-05-0,Ethylene bis(chloroformate),"ethane-1,2-diyl dichlorocarbonate",ClC(=O)OCCOC(=O)Cl,ClC(=O)OCCOC(=O)Cl,InChI=1/C4H4Cl2O4/c5-3(7)9-1-2-10-4(6)8/h1-2H2,C4H4Cl2O4,,,,,,FMACOGSACRRIMK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.488,202-737-5,99-17-2,2-(hydroxymethyl)phenyl-ß-D-glucopyranoside 6-benzoate,2-(hydroxymethyl)phenyl 6-O-benzoyl-beta-D-glucopyranoside,OCc3ccccc3O[C@@H]2O[C@H](COC(=O)c1ccccc1)[C@@H](O)[C@H](O)[C@H]2O,OCc3ccccc3O[C@@H]2O[C@H](COC(=O)c1ccccc1)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2",C20H22O8,,,,,,HHSKNLJWHGXWPK-BFMVXSJESA-N,,,,,,,,,,,
100.002.497,202-746-4,99-30-9,"2,6-dichloro-4-nitroaniline","2,6-dichloro-4-nitroaniline",Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-],Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-],"InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",C6H4Cl2N2O2,,,,,,BIXZHMJUSMUDOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.498,202-748-5,99-31-0,5-aminoisophthalic acid,5-aminoisophthalic acid,Nc1cc(cc(c1)C(=O)O)C(=O)O,Nc1cc(cc(c1)C(=O)O)C(=O)O,"InChI=1/C8H7NO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",C8H7NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19039,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.498,KBZFDRWPMZESDI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.631,201-793-8,88-04-0,"4-chloro-3,5-xylenol","4-chloro-3,5-dimethylphenol",Cc1cc(O)cc(C)c1Cl,Cc1cc(O)cc(C)c1Cl,"InChI=1/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",C8H9ClO,,,,,,OSDLLIBGSJNGJE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.634,201-796-4,88-09-5,2-ethylbutyric acid,2-ethylbutanoic acid,CCC(CC)C(=O)O,CCC(CC)C(=O)O,"InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",C6H12O2,,,,,,OXQGTIUCKGYOAA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.638,201-802-5,88-13-1,3-thenoic acid,thiophene-3-carboxylic acid,OC(=O)c1ccsc1,OC(=O)c1ccsc1,"InChI=1/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)",C5H4O2S,,,,,,YNVOMSDITJMNET-UHFFFAOYSA-N,,,,,,,,,,,
100.001.916,202-106-4,91-91-8,"3,3'-dimethoxy[1,1'-biphenyl]-4,4'-bis(diazonium) dichloride","3,3'-dimethoxybiphenyl-4,4'-bis(diazonium)",COc1cc(ccc1[N+]#N)c2ccc([N+]#N)c(OC)c2,COc1cc(ccc1[N+]#N)c2ccc([N+]#N)c(OC)c2,"InChI=1/C14H12N4O2/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2/h3-8H,1-2H3/q+2",C14H12N4O2.2Cl,,,,,,QMMMCTXNYMSXLI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.917,202-108-5,91-92-9,"3,3'-dihydroxy-N,N'-(3,3'-dimethoxybiphenyl-4,4'-diyl)di-2-naphthamide","N,N'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3-hydroxy-2-naphthamide)",COc1cc(ccc1NC(=O)c2cc3ccccc3cc2O)c4ccc(NC(=O)c5cc6ccccc6cc5O)c(OC)c4,COc1cc(ccc1NC(=O)c2cc3ccccc3cc2O)c4ccc(NC(=O)c5cc6ccccc6cc5O)c(OC)c4,"InChI=1/C36H28N2O6/c1-43-33-19-25(11-13-29(33)37-35(41)27-15-21-7-3-5-9-23(21)17-31(27)39)26-12-14-30(34(20-26)44-2)38-36(42)28-16-22-8-4-6-10-24(22)18-32(28)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42)",C36H28N2O6,,,,,,AXUHYNGMYQMRRI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.918,202-109-0,91-94-1,"3,3'-dichlorobenzidine","3,3'-dichlorobiphenyl-4,4'-diamine",Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,"InChI=1/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2",C12H10Cl2N2,,,,,,HUWXDEQWWKGHRV-UHFFFAOYSA-N,Positive,UA004901|UA004903,[M+H]+,CID35|CID35,217.0529:218.0606:182.084|217.0525:218.0602:182.0839,UFZ_Additional_Specs,,,,,
100.001.921,202-112-7,91-97-4,"3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate","4,4'-diisocyanato-3,3'-dimethylbiphenyl",Cc1cc(ccc1N=C=O)c2ccc(N=C=O)c(C)c2,Cc1cc(ccc1N=C=O)c2ccc(N=C=O)c(C)c2,"InChI=1/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3",C16H12N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10067,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.921,ICLCCFKUSALICQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.923,202-114-8,91-99-6,"2,2'-(m-tolylimino)diethanol","2,2'-[(3-methylphenyl)imino]diethanol",Cc1cccc(c1)N(CCO)CCO,Cc1cccc(c1)N(CCO)CCO,"InChI=1/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3",C11H17NO2,,,,,,VMNDRLYLEVCGAG-UHFFFAOYSA-N,,,,,,,,,,,
100.001.927,202-119-5,92-03-5,"3-bromo[1,1'-biphenyl]-4-ol",3-bromobiphenyl-4-ol,Oc1ccc(cc1Br)c2ccccc2,Oc1ccc(cc1Br)c2ccccc2,"InChI=1/C12H9BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H",C12H9BrO,,,,,,DZGMMVYPLBTLRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.930,202-122-1,92-06-8,m-terphenyl,"1,1':3',1''-terphenyl",c1ccc(cc1)c2cccc(c2)c3ccccc3,c1ccc(cc1)c2cccc(c2)c3ccccc3,InChI=1/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H,C18H14,,,,,,YJTKZCDBKVTVBY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.947,202-141-5,92-26-2,"2,7-dimethylacridine-3,6-diamine","2,7-dimethylacridine-3,6-diamine",Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,"InChI=1/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3",C15H15N3,,,,,,HGHJYCKSBMCGRK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.948,202-142-0,92-27-3,"6,7-dihydroxynaphthalene-2-sulphonic acid","6,7-dihydroxynaphthalene-2-sulfonic acid",Oc1cc2ccc(cc2cc1O)S(=O)(=O)O,Oc1cc2ccc(cc2cc1O)S(=O)(=O)O,"InChI=1/C10H8O5S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5,11-12H,(H,13,14,15)",C10H8O5S,,,,,,DKJVSIITPZVTRO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.950,202-144-1,92-29-5,"N,N'-dibenzylidenetoluene-a,a-diamine","N,N'-dibenzylidene-1-phenylmethanediamine",C(=NC(N=Cc1ccccc1)c2ccccc2)c3ccccc3,C(=NC(N=Cc1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C21H18N2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-17,21H",C21H18N2,,,,,,VUYRFIIFTJICNA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.951,202-145-7,92-30-8,2-trifluoromethylphenothiazine,2-(trifluoromethyl)-10H-phenothiazine,FC(F)(F)c1ccc2Sc3ccccc3Nc2c1,FC(F)(F)c1ccc2Sc3ccccc3Nc2c1,"InChI=1/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H",C13H8F3NS,,,,,,RKGYJVASTMCSHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.565,203-921-8,111-92-2,Dibutylamine,N-butylbutan-1-amine,CCCCNCCCC,CCCCNCCCC,"InChI=1/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3",C8H19N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13527,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.565,JQVDAXLFBXTEQA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.566,203-922-3,111-94-4,"3,3'-iminodipropiononitrile","3,3'-iminodipropanenitrile",N#CCCNCCC#N,N#CCCNCCC#N,"InChI=1/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2",C6H9N3,,,,,,SBAJRGRUGUQKAF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.567,203-923-9,111-95-5,Bis(2-methoxyethyl)amine,2-methoxy-N-(2-methoxyethyl)ethanamine,COCCNCCOC,COCCNCCOC,"InChI=1/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3",C6H15NO2,,,,,,IBZKBSXREAQDTO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.571,203-928-6,112-02-7,Cetrimonium chloride,"N,N,N-trimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1",C19H42N.Cl,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14219,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.571,WOWHHFRSBJGXCM-UHFFFAOYSA-M,,,,,,,,,,,
100.003.575,203-932-8,112-06-1,Heptyl acetate,heptyl acetate,CCCCCCCOC(=O)C,CCCCCCCOC(=O)C,"InChI=1/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3",C9H18O2,,,,,,ZCZSIDMEHXZRLG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.578,203-935-4,112-11-8,Isopropyl oleate,isopropyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C,"InChI=1/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3",C21H40O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13373,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.578,PZQSQRCNMZGWFT-QXMHVHEDSA-N,,,,,,,,,,,
100.003.582,203-940-1,112-15-2,2-(2-ethoxyethoxy)ethyl acetate,2-(2-ethoxyethoxy)ethyl acetate,CCOCCOCCOC(=O)C,CCOCCOCCOC(=O)C,"InChI=1/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3",C8H16O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12011,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.582,FPZWZCWUIYYYBU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.586,203-944-3,112-19-6,Undec-10-enyl acetate,undec-10-en-1-yl acetate,CC(=O)OCCCCCCCCCC=C,CC(=O)OCCCCCCCCCC=C,"InChI=1/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3H,1,4-12H2,2H3",C13H24O2,,,,,,VCVAXEYHJAFRGM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.589,203-948-5,112-22-1,"N,N'-diethylbut-2-ynylenediamine","N,N'-diethylbut-2-yne-1,4-diamine",CCNCC#CCNCC,CCNCC#CCNCC,"InChI=1/C8H16N2/c1-3-9-7-5-6-8-10-4-2/h9-10H,3-4,7-8H2,1-2H3",C8H16N2,,,,,,DHLUQZDOGQUIOO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.594,203-953-2,112-27-6,"2,2'-(ethylenedioxy)diethanol","2,2'-[ethane-1,2-diylbis(oxy)]diethanol",OCCOCCOCCO,OCCOCCOCCO,"InChI=1/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2",C6H14O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15468,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.594,ZIBGPFATKBEMQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.596,203-955-3,112-29-8,1-bromodecane,1-bromodecane,CCCCCCCCCCBr,CCCCCCCCCCBr,"InChI=1/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",C10H21Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5308,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.596,MYMSJFSOOQERIO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.601,203-961-6,112-34-5,2-(2-butoxyethoxy)ethanol,2-(2-butoxyethoxy)ethanol,CCCCOCCOCCO,CCCCOCCOCCO,"InChI=1/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3",C8H18O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15952,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.601,OAYXUHPQHDHDDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.158,204-572-4,122-75-8,"N,N'-dibenzylethylenediammonium di(acetate)","N,N'-dibenzylethane-1,2-diaminium diacetate",CC(=O)[O-].CC(=O)[O-].C(C[NH2+]Cc1ccccc1)[NH2+]Cc2ccccc2,CC(=O)[O-].CC(=O)[O-].C(C[NH2+]Cc1ccccc1)[NH2+]Cc2ccccc2,"InChI=1/C16H20N2.2C2H4O2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-2(3)4/h1-10,17-18H,11-14H2;2*1H3,(H,3,4)",C16H20N2.2C2H4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12715,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.158,MTRNNCLQPVCDLF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.160,204-575-0,122-79-2,Phenyl acetate,phenyl acetate,CC(=O)Oc1ccccc1,CC(=O)Oc1ccccc1,"InChI=1/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3",C8H8O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1922,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.160,IPBVNPXQWQGGJP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.161,204-576-6,122-80-5,4'-aminoacetanilide,N-(4-aminophenyl)acetamide,CC(=O)Nc1ccc(N)cc1,CC(=O)Nc1ccc(N)cc1,"InChI=1/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O,,,,,,CHMBIJAOCISYEW-UHFFFAOYSA-N,Positive,SM805302;UF413501|UF413502|UF413503|UF413504,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,151.0865:109.0759:92.0494;109.0764:151.0872:92.0499|109.0764:92.0498:108.0686|109.0763:151.0871:133.0765|109.0764:110.0603:133.0765,CASMI_2016;UFZ,,,,,
100.004.162,204-577-1,122-82-7,4'-ethoxyacetoacetanilide,N-[4-(ethoxyacetyl)phenyl]acetamide,CCOCC(=O)c1ccc(NC(=O)C)cc1,CCOCC(=O)c1ccc(NC(=O)C)cc1,"InChI=1/C12H15NO3/c1-3-16-8-12(15)10-4-6-11(7-5-10)13-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,14)",C12H15NO3,,,,,,WTWYSXUQUGSVHF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.168,204-583-4,122-94-1,4-butoxyphenol,4-butoxyphenol,CCCCOc1ccc(O)cc1,CCCCOc1ccc(O)cc1,"InChI=1/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3",C10H14O2,,,,,,MBGGFXOXUIDRJD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.169,204-585-5,122-95-2,"1,4-diethoxybenzene","1,4-diethoxybenzene",CCOc1ccc(OCC)cc1,CCOc1ccc(OCC)cc1,"InChI=1/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3",C10H14O2,,,,,,VWGNFIQXBYRDCH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.176,204-592-3,123-02-4,Tridecylbenzene,tridecylbenzene,CCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCc1ccccc1,"InChI=1/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3",C19H32,,,,,,MCVUKOYZUCWLQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.643,205-106-2,133-38-0,"2,3-dihydroxyfumaric acid","2,3-dihydroxybut-2-enedioic acid",OC(=O)\\C(=C(/O)\\C(=O)O)\\O,OC(=O)\C(=C(/O)\C(=O)O)\O,"InChI=1/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5-6H,(H,7,8)(H,9,10)",C4H4O6,,,,,,BZCOSCNPHJNQBP-OWOJBTEDSA-N,,,,,,,,,,,
100.004.644,205-107-8,133-49-3,Pentachlorobenzenethiol,pentachlorobenzenethiol,Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,C6HCl5S,,,,,,LLMLGZUZTFMXSA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.647,205-110-4,133-55-1,"N,N'-dimethyl-N,N'-dinitrosoterephthalamide","N,N'-dimethyl-N,N'-dinitrosoterephthalamide",CN(N=O)C(=O)c1ccc(cc1)C(=O)N(C)N=O,CN(N=O)C(=O)c1ccc(cc1)C(=O)N(C)N=O,"InChI=1/C10H10N4O4/c1-13(11-17)9(15)7-3-5-8(6-4-7)10(16)14(2)12-18/h3-6H,1-2H3",C10H10N4O4,,,,,,CQSQUYVFNGIECQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.649,205-113-0,133-59-5,Toluene-2-sulphonyl chloride,2-methylbenzenesulfonyl chloride,Cc1ccccc1S(=O)(=O)Cl,Cc1ccccc1S(=O)(=O)Cl,"InChI=1/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3",C7H7ClO2S,,,,,,HDECRAPHCDXMIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.650,205-114-6,133-60-8,"Disodium 6-(acetylamino)-3-[[4-(aminosulphonyl)phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 6-acetamido-4-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].NS(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(c(cc2c3O)NC(C)=O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].NS(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(c(cc2c3O)NC(C)=O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C18H16N4O10S3.2Na/c1-9(23)20-14-8-13-10(6-15(14)34(27,28)29)7-16(35(30,31)32)17(18(13)24)22-21-11-2-4-12(5-3-11)33(19,25)26;;/h2-8,24H,1H3,(H,20,23)(H2,19,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C18H16N4O10S3.2Na,,,,,,YAZZWQFMIGUHKS-UHFFFAOYSA-L,,,,,,,,,,,
100.004.654,205-118-8,133-67-5,Trichlormethiazide,"6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl,NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl,"InChI=1/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)",C8H8Cl3N3O4S2,,,,,,LMJSLTNSBFUCMU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.655,205-119-3,133-74-4,2-amino-5-chlorobenzenesulphonic acid,2-amino-5-chlorobenzenesulfonic acid,Nc1ccc(Cl)cc1S(=O)(=O)O,Nc1ccc(Cl)cc1S(=O)(=O)O,"InChI=1/C6H6ClNO3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H,9,10,11)",C6H6ClNO3S,,,,,,ZCGVPUAAMCMLTM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.656,205-120-9,133-78-8,5-aminotoluene-2-sulphonic acid,4-amino-2-methylbenzenesulfonic acid,Cc1cc(N)ccc1S(=O)(=O)O,Cc1cc(N)ccc1S(=O)(=O)O,"InChI=1/C7H9NO3S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO3S,,,,,,ZDIRCGKEOWZBIM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.658,205-123-5,133-90-4,Chloramben,"3-amino-2,5-dichlorobenzoic acid",Nc1cc(Cl)cc(C(=O)O)c1Cl,Nc1cc(Cl)cc(C(=O)O)c1Cl,"InChI=1/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)",C7H5Cl2NO2,,,,,,HSSBORCLYSCBJR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.666,205-131-9,134-19-0,5-methyl-4-nitro-o-anisidine,2-methoxy-5-methyl-4-nitroaniline,COc1cc(c(C)cc1N)[N+](=O)[O-],COc1cc(c(C)cc1N)[N+](=O)[O-],"InChI=1/C8H10N2O3/c1-5-3-6(9)8(13-2)4-7(5)10(11)12/h3-4H,9H2,1-2H3",C8H10N2O3,,,,,,VXUMJWGCPAUKTB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.672,205-138-7,134-32-7,1-naphthylamine,naphthalen-1-amine,Nc1cccc2ccccc12,Nc1cccc2ccccc12,"InChI=1/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2",C10H9N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7604,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.672,RUFPHBVGCFYCNW-UHFFFAOYSA-N,Positive,SM800201,[M+H]+,HCD35,144.0807:143.0729:155.0603,CASMI_2016,,,,,
100.004.673,205-139-2,134-34-9,"4-acetamido-5-hydroxynaphthalene-2,7-disulphonic acid","4-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid",CC(=O)Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,CC(=O)Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)",C12H11NO8S2,,,,,,DACUJXBUANTBKE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.674,205-140-8,134-36-1,"Erythromycin, 2'-propanoate","4-(dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-6-methyltetrahydro-2H-pyran-3-yl propionate (non-preferred name)",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3",C40H71NO14,,,,,,TYQXKHPOXXXCTP-CSLYCKPJSA-N,,,,,,,,,,,
100.004.680,205-147-6,134-55-4,Phenyl O-acetylsalicylate,phenyl 2-acetoxybenzoate,O=C(C)Oc2ccccc2C(=O)Oc1ccccc1,O=C(C)Oc2ccccc2C(=O)Oc1ccccc1,"InChI=1/C15H12O4/c1-11(16)18-14-10-6-5-9-13(14)15(17)19-12-7-3-2-4-8-12/h2-10H,1H3",C15H12O4,,,,,,PSBAIJVSCTZDDB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.681,205-148-1,134-58-7,"5-amino-1H-triazolo[4,5-d]pyrimidin-7-ol","5-amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol",Nc1nc(O)c2nn[nH]c2n1,Nc1nc(O)c2nn[nH]c2n1,"InChI=1/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)",C4H4N6O,,,,,,LPXQRXLUHJKZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.252,204-675-4,124-06-1,Ethyl myristate,ethyl myristate,CCCCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCCCC(=O)OCC,"InChI=1/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3",C16H32O2,,,,,,MMKRHZKQPFCLLS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.253,204-677-5,124-07-2,Octanoic acid,octanoic acid,CCCCCCCC(=O)O,CCCCCCCC(=O)O,"InChI=1/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",C8H16O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15370,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.253,WWZKQHOCKIZLMA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.257,204-681-7,124-11-8,Non-1-ene,non-1-ene,CCCCCCCC=C,CCCCCCCC=C,"InChI=1/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3",C9H18,,,,,,JRZJOMJEPLMPRA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.262,204-686-4,124-18-5,Decane,decane,CCCCCCCCCC,CCCCCCCCCC,"InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",C10H22,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13896,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.262,DIOQZVSQGTUSAI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.263,204-688-5,124-19-6,Nonanal,nonanal,CCCCCCCCC=O,CCCCCCCCC=O,"InChI=1/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",C9H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5471,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.263,GYHFUZHODSMOHU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.265,204-690-6,124-22-1,Dodecylamine,dodecan-1-amine,CCCCCCCCCCCCN,CCCCCCCCCCCCN,"InChI=1/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3",C12H27N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15915,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.265,JRBPAEWTRLWTQC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.268,204-693-2,124-26-5,Stearamide,stearamide,CCCCCCCCCCCCCCCCCC(=O)N,CCCCCCCCCCCCCCCCCC(=O)N,"InChI=1/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",C18H37NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13321,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.268,LYRFLYHAGKPMFH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.270,204-695-3,124-30-1,Octadecylamine,octadecan-1-amine,CCCCCCCCCCCCCCCCCCN,CCCCCCCCCCCCCCCCCCN,"InChI=1/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3",C18H39N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14418,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.270,REYJJPSVUYRZGE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.274,204-700-9,124-42-5,Acetamidinium chloride,ethanimidamide,CC(=N)N,CC(=N)N,"InChI=1/C2H6N2/c1-2(3)4/h1H3,(H3,3,4)",C2H6N2.ClH,,,,,,OQLZINXFSUDMHM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.277,204-704-0,124-48-1,Dibromochloromethane,dibromo(chloro)methane,ClC(Br)Br,ClC(Br)Br,InChI=1/CHBr2Cl/c2-1(3)4/h1H,CHBr2Cl,,,,,,GATVIKZLVQHOMN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.278,204-705-6,124-58-3,Methylarsonic acid,methylarsonic acid,C[As](=O)(O)O,C[As](=O)(O)O,"InChI=1/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)",CH5AsO3,,,,,,QYPPRTNMGCREIM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.282,204-709-8,124-68-5,2-amino-2-methylpropanol,2-amino-2-methylpropan-1-ol,CC(C)(N)CO,CC(C)(N)CO,"InChI=1/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3",C4H11NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11767,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.282,CBTVGIZVANVGBH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.287,204-715-0,124-83-4,D-camphoric acid,camphoric acid,CC1(C)[C@H](CC[C@@]1(C)C(=O)O)C(=O)O,CC1(C)[C@H](CC[C@@]1(C)C(=O)O)C(=O)O,"InChI=1/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",C10H16O4,,,,,,LSPHULWDVZXLIL-LDWIPMOCSA-N,,,,,,,,,,,
100.004.288,204-716-6,124-87-8,Picrotoxin,"2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methylhexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione - 2a-hydroxy-9-isopropenyl-8b-methylhexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione (1:1)",CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@]35C.CC(C)(O)[C@@H]6[C@H]7OC(=O)[C@@H]6[C@]8(O)C[C@H]9O[C@]9%10C(=O)O[C@H]7[C@]8%10C,CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@]35C.CC(C)(O)[C@@H]6[C@H]7OC(=O)[C@@H]6[C@]8(O)C[C@H]9O[C@]9%10C(=O)O[C@H]7[C@]8%10C,"InChI=1/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3",C15H18O7.C15H16O6,,,,,,VJKUPQSHOVKBCO-AHMKVGDJSA-N,,,,,,,,,,,
100.004.290,204-718-7,124-94-7,Triamcinolone,"9-fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione",OCC(=O)[C@@]4(O)[C@H](O)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\\C(=O)/C=C3/CC[C@@H]12,OCC(=O)[C@@]4(O)[C@H](O)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/CC[C@@H]12,"InChI=1/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3",C21H27FO6,,,,,,GFNANZIMVAIWHM-OBYCQNJPSA-N,Positive,SM873501,[M+H]+,HCD35,375.1803:357.1696:147.0804,CASMI_2016,,,,,
100.004.291,204-719-2,124-97-0,"[3ß(2R,3R),4a,6a,7a,15a(R),16ß]-4,9-epoxycevane-3,4,6,7,14,15,16,20-octol 6,7-diacetate 3-(2,3-dihydroxy-2-methylbutyrate) 15-(2-methylbutyrate)","6-acetoxy-7-hydroperoxy-20-hydroxy-4,9-epoxycevan-3-yl 2,3-dihydroxy-2-methylbutanoate",CC(O)C(C)(O)C(=O)OC1CCC2(C)C3C(OC(=O)C)C(OO)C4C5CCC6C(CN7CC(C)CCC7C6(C)O)C5CC24OC13,CC(O)C(C)(O)C(=O)OC1CCC2(C)C3C(OC(=O)C)C(OO)C4C5CCC6C(CN7CC(C)CCC7C6(C)O)C5CC24OC13,"InChI=1/C34H53NO10/c1-16-7-10-24-33(6,40)22-9-8-19-20(21(22)15-35(24)14-16)13-34-25(19)29(45-41)28(42-18(3)37)26-27(44-34)23(11-12-31(26,34)4)43-30(38)32(5,39)17(2)36/h16-17,19-29,36,39-41H,7-15H2,1-6H3",C41H63NO15,,,,,,OJSHGWCYTORQLN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.958,202-153-0,92-40-0,7-hydroxynaphthalene-2-sulphonic acid,7-hydroxynaphthalene-2-sulfonic acid,Oc1ccc2ccc(cc2c1)S(=O)(=O)O,Oc1ccc2ccc(cc2c1)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9/h1-6,11H,(H,12,13,14)",C10H8O4S,,,,,,MVEOHWRUBFWKJY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.647,201-811-4,88-22-2,"2-amino-3,5-xylenesulphonic acid","2-amino-3,5-dimethylbenzenesulfonic acid",Cc1cc(C)c(N)c(c1)S(=O)(=O)O,Cc1cc(C)c(N)c(c1)S(=O)(=O)O,"InChI=1/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)",C8H11NO3S,,,,,,CFCXQQUQLZIZPI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.659,201-825-0,88-38-0,"4,4'-bis[4,6-bis(anilino)-1,3,5-triazin-2-yl]aminostilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonic acid}",OS(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc4ccccc4)n2)ccc1\\C=C\\c5ccc(Nc6nc(Nc7ccccc7)nc(Nc8ccccc8)n6)cc5S(=O)(=O)O,OS(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc4ccccc4)n2)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(Nc8ccccc8)n6)cc5S(=O)(=O)O,"InChI=1/C44H36N12O6S2/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56)",C44H36N12O6S2,,,,,,HRHCYUBSBRXMIN-QURGRASLSA-N,,,,,,,,,,,
100.001.661,201-827-1,88-40-4,2-tert-butyl-5-methylanisole,1-tert-butyl-2-methoxy-4-methylbenzene,COc1cc(C)ccc1C(C)(C)C,COc1cc(C)ccc1C(C)(C)C,"InChI=1/C12H18O/c1-9-6-7-10(12(2,3)4)11(8-9)13-5/h6-8H,1-5H3",C12H18O,,,,,,NFDFEFJTYRAHEM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.663,201-829-2,88-42-6,"2,5-dichlorobenzenesulphonic acid","2,5-dichlorobenzenesulfonic acid",OS(=O)(=O)c1cc(Cl)ccc1Cl,OS(=O)(=O)c1cc(Cl)ccc1Cl,"InChI=1/C6H4Cl2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H,9,10,11)",C6H4Cl2O3S,,,,,,LFXZSGVZSSMCMB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.664,201-830-8,88-43-7,5-amino-2-chlorobenzenesulphonic acid,5-amino-2-chlorobenzenesulfonic acid,Nc1ccc(Cl)c(c1)S(=O)(=O)O,Nc1ccc(Cl)c(c1)S(=O)(=O)O,"InChI=1/C6H6ClNO3S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h1-3H,8H2,(H,9,10,11)",C6H6ClNO3S,,,,,,VPXCXBHLKDPWQV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.665,201-831-3,88-44-8,4-aminotoluene-3-sulphonic acid,2-amino-5-methylbenzenesulfonic acid,Cc1ccc(N)c(c1)S(=O)(=O)O,Cc1ccc(N)c(c1)S(=O)(=O)O,"InChI=1/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13513,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.665,LTPSRQRIPCVMKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.668,201-835-5,88-49-3,5-chloro-p-xylene-2-sulphonyl chloride,"4-chloro-2,5-dimethylbenzenesulfonyl chloride",Cc1cc(c(C)cc1Cl)S(=O)(=O)Cl,Cc1cc(c(C)cc1Cl)S(=O)(=O)Cl,"InChI=1/C8H8Cl2O2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3",C8H8Cl2O2S,,,,,,JBYZPUBAISWVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.672,201-839-7,88-53-9,5-amino-2-chlorotoluene-4-sulphonic acid,2-amino-5-chloro-4-methylbenzenesulfonic acid,Cc1cc(N)c(cc1Cl)S(=O)(=O)O,Cc1cc(N)c(cc1Cl)S(=O)(=O)O,"InChI=1/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)",C7H8ClNO3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16441,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.672,VYZCFAPUHSSYCC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.675,201-842-3,88-60-8,6-tert-butyl-m-cresol,2-tert-butyl-5-methylphenol,Cc1ccc(c(O)c1)C(C)(C)C,Cc1ccc(c(O)c1)C(C)(C)C,"InChI=1/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3",C11H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13836,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.675,XOUQAVYLRNOXDO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.679,201-847-0,88-64-2,4-acetamido-2-aminobenzenesulphonic acid,4-acetamido-2-aminobenzenesulfonic acid,CC(=O)Nc1ccc(c(N)c1)S(=O)(=O)O,CC(=O)Nc1ccc(c(N)c1)S(=O)(=O)O,"InChI=1/C8H10N2O4S/c1-5(11)10-6-2-3-8(7(9)4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)",C8H10N2O4S,,,,,,FOINSAWEWXUXPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.681,201-849-1,88-66-4,1-chloro-2-(dichloromethyl)benzene,1-chloro-2-(dichloromethyl)benzene,ClC(Cl)c1ccccc1Cl,ClC(Cl)c1ccccc1Cl,"InChI=1/C7H5Cl3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H",C7H5Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2212,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.681,BXSVYGKOUULJCL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.682,201-850-7,88-67-5,2-iodobenzoic acid,2-iodobenzoic acid,OC(=O)c1ccccc1I,OC(=O)c1ccccc1I,"InChI=1/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",C7H5IO2,,,,,,CJNZAXGUTKBIHP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.687,201-855-4,88-74-4,2-nitroaniline,2-nitroaniline,Nc1ccccc1[N+](=O)[O-],Nc1ccccc1[N+](=O)[O-],"InChI=1/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2",C6H6N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13715,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.687,DPJCXCZTLWNFOH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.693,201-862-2,88-86-8,"2,5-dichloro-3-nitrobenzoic acid","2,5-dichloro-3-nitrobenzoic acid",OC(=O)c1cc(Cl)cc(c1Cl)[N+](=O)[O-],OC(=O)c1cc(Cl)cc(c1Cl)[N+](=O)[O-],"InChI=1/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)",C7H3Cl2NO4,,,,,,AUAXYMOBWXOEQD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.694,201-863-8,88-87-9,"4-chloro-2,6-dinitrophenol","4-chloro-2,6-dinitrophenol",Oc1c(cc(Cl)cc1[N+](=O)[O-])[N+](=O)[O-],Oc1c(cc(Cl)cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3ClN2O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H",C6H3ClN2O5,,,,,,KESYALTWUAFAAC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.696,201-865-9,88-89-1,Picric acid,picric acid,Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H",C6H3N3O7,,,,,,OXNIZHLAWKMVMX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.178,204-594-4,123-04-6,3-(chloromethyl)heptane,3-(chloromethyl)heptane,CCCCC(CC)CCl,CCCCC(CC)CCl,"InChI=1/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3",C8H17Cl,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5374,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.178,WLVCBAMXYMWGLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.179,204-596-5,123-05-7,2-ethylhexanal,2-ethylhexanal,CCCCC(CC)C=O,CCCCC(CC)C=O,"InChI=1/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3",C8H16O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13822,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.179,LGYNIFWIKSEESD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.189,204-606-8,123-17-1,"2,6,8-trimethylnonan-4-ol","2,6,8-trimethylnonan-4-ol",CC(C)CC(C)CC(O)CC(C)C,CC(C)CC(C)CC(O)CC(C)C,"InChI=1/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3",C12H26O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6944,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.189,LFEHSRSSAGQWNI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.197,204-615-7,123-29-5,Ethyl nonanoate,ethyl nonanoate,CCCCCCCCC(=O)OCC,CCCCCCCCC(=O)OCC,"InChI=1/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3",C11H22O2,,,,,,BYEVBITUADOIGY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.201,204-619-9,123-33-1,"Pyridazine-3,6-diol","1,2-dihydropyridazine-3,6-dione",O=C1NNC(=O)C=C1,O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)",C4H4N2O2,,,,,,BGRDGMRNKXEXQD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.211,204-630-9,123-47-7,Prolonium iodide,"2-hydroxy-N,N,N,N',N',N'-hexamethylpropane-1,3-diaminium diiodide",[I-].[I-].C[N+](C)(C)CC(O)C[N+](C)(C)C,[I-].[I-].C[N+](C)(C)CC(O)C[N+](C)(C)C,"InChI=1/C9H24N2O.2HI/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2",C9H24N2O.2I,,,,,,UOZDOLIXBYLRAC-UHFFFAOYSA-L,,,,,,,,,,,
100.004.213,204-633-5,123-51-3,3-methylbutan-1-ol,3-methylbutan-1-ol,CC(C)CCO,CC(C)CCO,"InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",C5H12O,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13936,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.213,PHTQWCKDNZKARW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.214,204-634-0,123-54-6,"Pentane-2,4-dione","pentane-2,4-dione",CC(=O)CC(=O)C,CC(=O)CC(=O)C,"InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",C5H8O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14713,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.214,YRKCREAYFQTBPV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.221,204-641-9,123-67-1,"N,N'-dimethyl-N,N'-bis(3-methylaminopropyl)trimethylenediamine","N,N'-dimethyl-N,N'-bis[3-(methylamino)propyl]propane-1,3-diamine",CNCCCN(C)CCCN(C)CCCNC,CNCCCN(C)CCCN(C)CCCNC,"InChI=1/C13H32N4/c1-14-8-5-10-16(3)12-7-13-17(4)11-6-9-15-2/h14-15H,5-13H2,1-4H3",C13H32N4,,,,,,XRTKMBBIDHUQNP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.229,204-650-8,123-77-3,"C,C'-azodi(formamide)","diazene-1,2-dicarboxamide",NC(=O)N=NC(=O)N,NC(=O)N=NC(=O)N,"InChI=1/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)",C2H4N4O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15242,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.229,XOZUGNYVDXMRKW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.231,204-652-9,123-79-5,Dioctyl adipate,dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,"InChI=1/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",C22H42O4,,,,,,NEHDRDVHPTWWFG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.232,204-653-4,123-81-9,Ethylene di(S-thioacetate),"S,S'-ethane-1,2-diyl diethanethioate",CC(=O)SCCSC(=O)C,CC(=O)SCCSC(=O)C,"InChI=1/C6H10O2S2/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3",C6H10O4S2,,,,,,FIZGWLMDRRFEPK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.247,204-670-7,124-01-6,2-ethoxyethylmercury chloride,(2-ethoxyethyl)mercury(1+) chloride,[Cl-].CCOCC[Hg+],[Cl-].CCOCC[Hg+],"InChI=1/C4H9O.ClH.Hg/c1-3-5-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1/rC4H9HgO.ClH/c1-2-6-4-3-5;/h2-4H2,1H3;1H/q+1;/p-1",C4H9ClHgO,,,,,,SKJHMLZNOHLSOK-UHFFFAOYSA-M,,,,,,,,,,,
100.004.259,204-683-8,124-13-0,Octanal,octanal,CCCCCCCC=O,CCCCCCCC=O,"InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",C8H16O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5251,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.259,NUJGJRNETVAIRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.272,204-697-4,124-40-3,Dimethylamine,N-methylmethanamine,CNC,CNC,"InChI=1/C2H7N/c1-3-2/h3H,1-2H3",C2H7N,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14794,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.272,ROSDSFDQCJNGOL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.279,204-706-1,124-63-0,Methanesulphonyl chloride,methanesulfonyl chloride,CS(=O)(=O)Cl,CS(=O)(=O)Cl,"InChI=1/CH3ClO2S/c1-5(2,3)4/h1H3",CH3ClO2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7940,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.279,QARBMVPHQWIHKH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.289,204-717-1,124-90-3,Oxycodone hydrochloride,"14-hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one hydrochloride",Cl.COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,Cl.COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H",C18H21NO4.ClH,,,,,,MUZQPDBAOYKNLO-RKXJKUSZSA-N,,,,,,,,,,,
100.004.684,205-151-8,134-64-5,Lobeline sulphate,2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone sulfate (salt),CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3.OS(=O)(=O)O,CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3.OS(=O)(=O)O,"InChI=1/C22H27NO2.H2O4S/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;1-5(2,3)4/h2-7,9-12,19-21,24H,8,13-16H2,1H3;(H2,1,2,3,4)",C22H27NO2.1/2H2O4S,,,,,,BEDBXOIWRNCGAU-NFQNBQCWSA-N,,,,,,,,,,,
100.004.687,205-154-4,134-72-5,"Bis[[R-(R*,S*)]-ß-hydroxy-a-methylphenethyl)methylammonium] sulphate",2-(methylamino)-1-phenylpropan-1-ol sulfate (2:1) (salt),CN[C@@H](C)[C@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c2ccccc2.OS(=O)(=O)O,CN[C@@H](C)[C@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c2ccccc2.OS(=O)(=O)O,"InChI=1/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)",C10H15NO.1/2H2O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11520,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.687,CAVQBDOACNULDN-KHFUBBAMSA-N,,,,,,,,,,,
100.004.689,205-157-0,134-81-6,Benzil,benzil,O=C(C(=O)c1ccccc1)c2ccccc2,O=C(C(=O)c1ccccc1)c2ccccc2,InChI=1/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H,C14H10O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7839,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.689,WURBFLDFSFBTLW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.793,205-272-6,137-00-8,2-(4-methylthiazol-5-yl)ethanol,"2-(4-methyl-1,3-thiazol-5-yl)ethanol",Cc1ncsc1CCO,Cc1ncsc1CCO,"InChI=1/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3",C6H9NOS,,,,,,BKAWJIRCKVUVED-UHFFFAOYSA-N,,,,,,,,,,,
100.004.797,205-276-8,137-06-4,Toluene-2-thiol,2-methylbenzenethiol,Cc1ccccc1S,Cc1ccccc1S,"InChI=1/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",C7H8S,,,,,,LXUNZSDDXMPKLP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.799,205-278-9,137-08-6,"Calcium pantothenate , D-form","N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine",CC(C)(CO)C(O)C(=O)NCCC(=O)O,CC(C)(CO)C(O)C(=O)NCCC(=O)O,"InChI=1/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",C9H17NO5.1/2Ca,,,,,,GHOKWGTUZJEAQD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.801,205-281-5,137-16-6,Sodium N-lauroylsarcosinate,sodium [dodecanoyl(methyl)amino]acetate,[Na+].CCCCCCCCCCCC(=O)N(C)CC(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N(C)CC(=O)[O-],"InChI=1/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1",C15H29NO3.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14123,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.801,KSAVQLQVUXSOCR-UHFFFAOYSA-M,,,,,,,,,,,
100.004.806,205-286-2,137-26-8,Thiram,[disulfanediylbis(carbonothioylnitrilo)]tetramethane,CN(C)C(=S)SSC(=S)N(C)C,CN(C)C(=S)SSC(=S)N(C)C,InChI=1/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3,C6H12N2S4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11311,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.806,KUAZQDVKQLNFPE-UHFFFAOYSA-N,Positive,EQ372401|EQ372402|EQ372403|EQ372404|EQ372405|EQ372406|EQ372407|EQ372408|EQ372409,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,88.0215:119.9936:195.9378|88.0215:119.9936:195.9378|88.0215:119.9936:76.0215|88.0215:119.9936:76.0215|88.0215:119.9936:76.0215|88.0215:72.998:76.0215|88.0215:72.998:76.0215|72.998:88.0215:71.9902|72.998:71.9902:88.0215,Eawag,,,,,
100.004.808,205-288-3,137-30-4,Ziram,zinc bis(dimethyldithiocarbamate),CN(C)C(=S)S[Zn]SC(=S)N(C)C,CN(C)C(=S)S[Zn]SC(=S)N(C)C,"InChI=1/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2/rC6H12N2S4Zn/c1-7(2)5(9)11-13-12-6(10)8(3)4/h1-4H3",C6H12N2S4Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2153,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.808,DUBNHZYBDBBJHD-UHFFFAOYSA-L,,,,,,,,,,,
100.004.810,205-290-4,137-40-6,Sodium propionate,sodium propionate,[Na+].CCC(=O)[O-],[Na+].CCC(=O)[O-],"InChI=1/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1",C3H6O2.Na,,,,,,JXKPEJDQGNYQSM-UHFFFAOYSA-M,,,,,,,,,,,
100.004.811,205-292-5,137-41-7,Potassium methyldithiocarbamate,potassium methyldithiocarbamate,[K+].CNC(=S)[S-],[K+].CNC(=S)[S-],"InChI=1/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1",C2H5NS2.K,,,,,,DQRQIQZHRCRSDB-UHFFFAOYSA-M,,,,,,,,,,,
100.004.814,205-295-1,137-47-3,"4-chloro-N,N-dimethyl-3-nitrobenzenesulphonamide","4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],CN(C)S(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C8H9ClN2O4S/c1-10(2)16(14,15)6-3-4-7(9)8(5-6)11(12)13/h3-5H,1-2H3",C8H9ClN2O4S,,,,,,HBTAOSGHCXUEKI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.816,205-297-2,137-49-5,4-chloro-3-nitro-N-phenylbenzenesulphonamide,4-chloro-3-nitro-N-phenylbenzenesulfonamide,[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc2ccccc2,[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc2ccccc2,"InChI=1/C12H9ClN2O4S/c13-11-7-6-10(8-12(11)15(16)17)20(18,19)14-9-4-2-1-3-5-9/h1-8,14H",C12H9ClN2O4S,,,,,,BEEGBBKQFMABPW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.817,205-298-8,137-50-8,"4,6-diaminobenzene-1,3-disulphonic acid","4,6-diaminobenzene-1,3-disulfonic acid",Nc1cc(N)c(cc1S(=O)(=O)O)S(=O)(=O)O,Nc1cc(N)c(cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C6H8N2O6S2/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)",C6H8N2O6S2,,,,,,YADSWTKOIHUSDX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.822,205-303-3,137-64-4,2-chloro-5-(chlorosulphonyl)benzoic acid,2-chloro-5-(chlorosulfonyl)benzoic acid,OC(=O)c1cc(ccc1Cl)S(=O)(=O)Cl,OC(=O)c1cc(ccc1Cl)S(=O)(=O)Cl,"InChI=1/C7H4Cl2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)",C7H4Cl2O4S,,,,,,CLHNTBSDCJLCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.825,205-307-5,137-88-2,Amprolium hydrochloride,1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridinium chloride hydrochloride,Cl.[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1,Cl.[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1,"InChI=1/C14H19N4.2ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1",C14H19N4.ClH.Cl,,,,,,PJBQYZZKGNOKNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.004.293,204-721-3,124-99-2,Scillaren A,"3-{[4-O-(6-deoxy-beta-D-glucopyranosyl)-beta-L-gulopyranosyl]oxy}-14-hydroxybufa-4,20,22-trienolide",C[C@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)[C@H](CC[C@]6(O)[C@@H]5CCC4=C3)C7=COC(=O)C=C7)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C[C@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)[C@H](CC[C@]6(O)[C@@H]5CCC4=C3)C7=COC(=O)C=C7)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C36H52O13/c1-17-26(39)27(40)29(42)32(46-17)49-31-24(15-37)48-33(30(43)28(31)41)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3",C36H52O13,,,,,,KKOLMSSIDZXPLS-VSQYVSJXSA-N,,,,,,,,,,,
100.004.295,204-723-4,125-03-1,Hydrocortamate hydrochloride,"11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl N,N-diethylglycinate hydrochloride",Cl.CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,Cl.CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C27H41NO6.ClH/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4;/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3;1H",C27H41NO6.ClH,,,,,,AKQNAIYKSALPKV-OYHXESGYSA-N,,,,,,,,,,,
100.004.297,204-726-0,125-10-0,Prednisone 21-acetate,"17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CC\\C1=C\\C(=O)/C=C\\[C@]1(C)[C@H]4C(=O)C[C@@]23C,CC(=O)OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)/C=C\[C@]1(C)[C@H]4C(=O)C[C@@]23C,"InChI=1/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3",C23H28O6,,,,,,MOVRKLZUVNCBIP-RFZYENFJSA-N,,,,,,,,,,,
100.004.301,204-730-2,125-25-7,Codeine hydrobromide,"3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol hydrobromide",Br.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,Br.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3.BrH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H",C18H21NO3.BrH,,,,,,XOXNTPXYPCJBHI-FFHNEAJVSA-N,,,,,,,,,,,
100.004.303,204-732-3,125-28-0,Dihydrocodeine,"3-methoxy-17-methyl-4,5-epoxymorphinan-6-ol",COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3",C18H23NO3,,,,,,RBOXVHNMENFORY-DNJOTXNNSA-N,Positive,AU217801|AU217802|AU217803|AU217804|AU217805;EQ333301|EQ333302|EQ333303|EQ333304|EQ333305|EQ333306,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,302.1777:303.1807:304.1828|302.1778:303.1804:245.1184|302.1771:199.0763:303.1803|199.0766:201.0919:302.1772|199.0766:171.0814:158.0731;302.1751:199.075|302.1751:245.1174:227.1068|302.1752:245.1174:199.0754|199.0754:201.0909:302.1752|199.0754:171.0805:201.0909|171.0805:141.0699:199.0754,Athens_Univ;Eawag,,,,,
100.004.307,204-737-0,125-33-7,Primidone,"5-ethyl-5-phenyldihydropyrimidine-4,6(1H,5H)-dione",CCC1(C(=O)NCNC1=O)c2ccccc2,CCC1(C(=O)NCNC1=O)c2ccccc2,"InChI=1/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",C12H14N2O2,,,,,,DQMZLTXERSFNPB-UHFFFAOYSA-N,Positive,AU151606;SM850201;EA019501|EA019502|EA019503|EA019504|EA019505|EA019506|EA019507|EA019508|EA019509|EA019510|EA019511|EA019512|EA019513|EA019514;UF409501|UF409502|UF409503|UF409504,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CIDRAMP 18.7-28.0;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,162.0908:119.0848:91.054;162.0913:91.0542:119.0855;162.0915:174.0915:119.0855|219.1129:162.0914:174.0913|162.0914:119.0855:91.0542|91.0542:162.0912:119.0854|91.0542:117.0698:162.0912|91.0542:117.0699:106.0651|91.0542:117.0698:115.0542|219.1128:162.0913:174.0913|162.0913:119.0855:91.0542|162.0912:91.0542:119.0854|91.0542:117.0698:162.0913|91.0542:117.0698:106.065|91.0542:117.0698:115.0541|162.0913:174.0912:119.0854;91.0543:162.0916:117.07|91.0543:117.07:106.0652|162.0915:174.0915:119.0856|162.0916:174.0916:119.0857,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.004.309,204-739-1,125-42-8,Vinbarbital,"5-ethyl-5-(1-methylbut-1-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione",O=C1NC(=O)NC(=O)C1(CC)C(C)=CCC,O=C1NC(=O)NC(=O)C1(CC)C(C)=CCC,"InChI=1/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)",C11H16N2O3,,,,,,RAFOHKSPUDGZPR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.324,204-755-9,125-79-1,"4-dimethylamino-2,2-diphenylvaleronitrile","4-(dimethylamino)-2,2-diphenylpentanenitrile",CC(CC(C#N)(c1ccccc1)c2ccccc2)N(C)C,CC(CC(C#N)(c1ccccc1)c2ccccc2)N(C)C,"InChI=1/C19H22N2/c1-16(21(2)3)14-19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3",C19H22N2,,,,,,GJJQIGFCGLPOQK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.327,204-759-0,125-86-0,Caramiphen hydrogen edisilate,"ethane-1,2-disulfonic acid - 2-(diethylamino)ethyl 1-phenylcyclopentanecarboxylate (1:2)",CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2.CCN(CC)CCOC(=O)C3(CCCC3)c4ccccc4.OS(=O)(=O)CCS(=O)(=O)O,CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2.CCN(CC)CCOC(=O)C3(CCCC3)c4ccccc4.OS(=O)(=O)CCS(=O)(=O)O,"InChI=1/2C18H27NO2.C2H6O6S2/c2*1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;3-9(4,5)1-2-10(6,7)8/h2*5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)",C18H27NO2.1/2C2H6O6S2,,,,,,BANIDACEBXZGNK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.332,204-764-8,126-02-3,Cycrimine hydrochloride,1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride,Cl.OC(CCN1CCCCC1)(C2CCCC2)c3ccccc3,Cl.OC(CCN1CCCCC1)(C2CCCC2)c3ccccc3,"InChI=1/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H",C19H29NO.ClH,,,,,,WBCWFMFZMRFRLT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.334,204-766-9,126-06-7,"3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione","3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(Cl)C(=O)N(Br)C1=O,CC1(C)N(Cl)C(=O)N(Br)C1=O,InChI=1/C5H6BrClN2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,C5H6BrClN2O2,,,,,,PQRDTUFVDILINV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.336,204-769-5,126-11-4,Nitromethylidynetrimethanol,"2-(hydroxymethyl)-2-nitropropane-1,3-diol",O=[N+]([O-])C(CO)(CO)CO,O=[N+]([O-])C(CO)(CO)CO,"InChI=1/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2",C4H9NO5,,,,,,OLQJQHSAWMFDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.341,204-774-2,126-17-0,Solasodine,spirosol-5-en-3-ol,C[C@@H]1CC[C@@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,C[C@@H]1CC[C@@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,"InChI=1/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",C27H43NO2,,,,,,KWVISVAMQJWJSZ-VKROHFNGSA-N,,,,,,,,,,,
100.004.345,204-778-4,126-22-7,Butonate,"2,2,2-trichloro-1-(dimethoxyphosphoryl)ethyl butyrate",CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,"InChI=1/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3",C8H14Cl3O5P,,,,,,BKAQXYNWONVOAX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.699,201-869-0,88-95-9,Phthaloyl dichloride,phthaloyl dichloride,ClC(=O)c1ccccc1C(=O)Cl,ClC(=O)c1ccccc1C(=O)Cl,InChI=1/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,C8H4Cl2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5306,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.699,FYXKZNLBZKRYSS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.701,201-871-1,88-97-1,Phthalamic acid,2-carbamoylbenzoic acid,NC(=O)c1ccccc1C(=O)O,NC(=O)c1ccccc1C(=O)O,"InChI=1/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)",C8H7NO3,,,,,,CYMRPDYINXWJFU-UHFFFAOYSA-N,Positive/Negative,SM870004,[M+H]+,HCD35,149.0234:148.0393:121.0285,CASMI_2016,SM870051,[M-H]-,HCD35,164.0353,CASMI_2016
100.001.702,201-872-7,88-98-2,"Cyclohex-4-ene-1,2-dicarboxylic acid","cyclohex-4-ene-1,2-dicarboxylic acid",OC(=O)C1CC=CCC1C(=O)O,OC(=O)C1CC=CCC1C(=O)O,"InChI=1/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)",C8H10O4,,,,,,ILUAAIDVFMVTAU-UHFFFAOYSA-N,,,,,,,,,,,
100.001.705,201-875-3,89-01-0,"Pyrazine-2,3-dicarboxylic acid","pyrazine-2,3-dicarboxylic acid",OC(=O)c1nccnc1C(=O)O,OC(=O)c1nccnc1C(=O)O,"InChI=1/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)",C6H4N2O4,,,,,,ZUCRGHABDDWQPY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.710,201-881-6,89-08-7,4-sulphophthalic acid,4-sulfophthalic acid,OC(=O)c1ccc(cc1C(=O)O)S(=O)(=O)O,OC(=O)c1ccc(cc1C(=O)O)S(=O)(=O)O,"InChI=1/C8H6O7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)",C8H6O7S,,,,,,WNKQDGLSQUASME-UHFFFAOYSA-N,,,,,,,,,,,
100.001.711,201-882-1,89-09-8,"4,4'-methylenebis[N,N-dimethyl-2-nitroaniline]","4,4'-methylenebis(N,N-dimethyl-2-nitroaniline)",CN(C)c1ccc(Cc2ccc(N(C)C)c(c2)[N+](=O)[O-])cc1[N+](=O)[O-],CN(C)c1ccc(Cc2ccc(N(C)C)c(c2)[N+](=O)[O-])cc1[N+](=O)[O-],"InChI=1/C17H20N4O4/c1-18(2)14-7-5-12(10-16(14)20(22)23)9-13-6-8-15(19(3)4)17(11-13)21(24)25/h5-8,10-11H,9H2,1-4H3",C17H20N4O4,,,,,,MQXGBQVYQQCHSM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.714,201-885-8,89-19-0,Butyl decyl phthalate,butyl decyl phthalate,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC,"InChI=1/C22H34O4/c1-3-5-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-6-4-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3",C22H34O4,,,,,,NJMAFLHPUNGKOD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.716,201-887-9,89-21-4,4-chloro-2-nitroanisole,4-chloro-1-methoxy-2-nitrobenzene,COc1ccc(Cl)cc1[N+](=O)[O-],COc1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3",C7H6ClNO3,,,,,,OSAYFGJUEOYRHY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.720,201-892-6,89-26-9,"1-(3-aminophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid","1-(3-aminophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",Nc1cccc(c1)N2N=C(CC2=O)C(=O)O,Nc1cccc(c1)N2N=C(CC2=O)C(=O)O,"InChI=1/C10H9N3O3/c11-6-2-1-3-7(4-6)13-9(14)5-8(12-13)10(15)16/h1-4H,5,11H2,(H,15,16)",C10H9N3O3,,,,,,SWHUGXBRBHHKFB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.722,201-894-7,89-28-1,"6-dodecyl-1,2-dihydro-2,2,4-trimethylquinoline","6-dodecyl-2,2,4-trimethyl-1,2-dihydroquinoline",CCCCCCCCCCCCc1ccc2NC(C)(C)C=C(C)c2c1,CCCCCCCCCCCCc1ccc2NC(C)(C)C=C(C)c2c1,"InChI=1/C24H39N/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-19,25H,5-15H2,1-4H3",C24H39N,,,,,,DOFLWDGGNKBGSL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.723,201-895-2,89-29-2,"m-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamide","3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide",CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N,CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N,"InChI=1/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)",C10H11N3O3S,,,,,,ASVVGQURNHNITH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.731,201-903-4,89-39-4,"1,4-dimethoxy-2-nitrobenzene","1,4-dimethoxy-2-nitrobenzene",COc1ccc(OC)c(c1)[N+](=O)[O-],COc1ccc(OC)c(c1)[N+](=O)[O-],"InChI=1/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3",C8H9NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5700,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.731,UPTOWXNJLZJTGD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.732,201-905-5,89-40-7,4-nitrophthalimide,"5-nitro-1H-isoindole-1,3(2H)-dione",[O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1,[O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1,"InChI=1/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)",C8H4N2O4,,,,,,ANYWGXDASKQYAD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.734,201-907-6,89-42-9,2-(methylamino)-5-sulphobenzoic acid,2-(methylamino)-5-sulfobenzoic acid,CNc1ccc(cc1C(=O)O)S(=O)(=O)O,CNc1ccc(cc1C(=O)O)S(=O)(=O)O,"InChI=1/C8H9NO5S/c1-9-7-3-2-5(15(12,13)14)4-6(7)8(10)11/h2-4,9H,1H3,(H,10,11)(H,12,13,14)",C8H9NO5S,,,,,,JWNYMRVWULNVDD-UHFFFAOYSA-N,,,,,,,,,,,
100.001.741,201-914-4,89-52-1,2-acetamidobenzoic acid,2-acetamidobenzoic acid,CC(=O)Nc1ccccc1C(=O)O,CC(=O)Nc1ccccc1C(=O)O,"InChI=1/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)",C9H9NO3,,,,,,QSACCXVHEVWNMX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.742,201-916-5,89-54-3,5-amino-2-chlorobenzoic acid,5-amino-2-chlorobenzoic acid,Nc1ccc(Cl)c(c1)C(=O)O,Nc1ccc(Cl)c(c1)C(=O)O,"InChI=1/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)",C7H6ClNO2,,,,,,GVCFFVPEOLCYNN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.755,201-930-1,89-68-9,6-chlorothymol,4-chloro-2-isopropyl-5-methylphenol,CC(C)c1cc(Cl)c(C)cc1O,CC(C)c1cc(Cl)c(C)cc1O,"InChI=1/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3",C10H13ClO,,,,,,KFZXVMNBUMVKLN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.294,204-722-9,125-02-0,Prednisolone 21-(disodium phosphate),"disodium 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl phosphate",CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP(=O)(O[Na])O[Na],CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP(=O)(O[Na])O[Na],"InChI=1/C21H29O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/rC21H27Na2O8P/c1-19-7-5-13(24)9-12(19)3-4-14-15-6-8-21(27,20(15,2)10-16(25)18(14)19)17(26)11-29-32(28,30-22)31-23/h5,7,9,14-16,18,25,27H,3-4,6,8,10-11H2,1-2H3",C21H29O8P.2Na,,,,,,VJZLQIPZNBPASX-UHFFFAOYSA-L,,,,,,,,,,,
100.004.296,204-725-5,125-04-2,Hydrocortisone 21-(sodium succinate),"sodium 4-[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoate",CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)CCC(=O)O[Na])C4(C)CC(O)C23,CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)CCC(=O)O[Na])C4(C)CC(O)C23,"InChI=1/C25H34O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1",C25H34O8.Na,,,,,,HHZQLQREDATOBM-UHFFFAOYSA-M,,,,,,,,,,,
100.004.298,204-727-6,125-12-2,"Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate",CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",C12H20O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14492,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.298,KGEKLUUHTZCSIP-JBLDHEPKSA-N,,,,,,,,,,,
100.004.299,204-728-1,125-13-3,Oxyphenisatine,"3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one",Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(O)cc4,Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(O)cc4,"InChI=1/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)",C20H15NO3,,,,,,SJDACOMXKWHBOW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.300,204-729-7,125-20-2,"3,3-bis(4-hydroxy-5-isopropyl-o-tolyl)phthalide","3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one",CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(O)cc4C,CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(O)cc4C,"InChI=1/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3",C28H30O4,,,,,,LDKDGDIWEUUXSH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.302,204-731-8,125-26-8,Codeine hydroiodide,"3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol hydroiodide",I.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,I.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3.HI/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H",C18H21NO3.HI,,,,,,ASZDJFVRFISIKK-FFHNEAJVSA-N,,,,,,,,,,,
100.004.306,204-736-5,125-31-5,"4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,5-dimethylphenol] S,S-dioxide","4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol)",Cc1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)cc4C,Cc1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)cc4C,"InChI=1/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3",C23H22O5S,,,,,,MGUKYHHAGPFJMC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.311,204-741-2,125-51-9,Pipenzolate bromide,1-ethyl-3-[2-hydroxy(diphenyl)acetoxy]-1-methylpiperidinium bromide,[Br-].CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,[Br-].CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C22H28NO3.BrH/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19;/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3;1H/q+1;/p-1",C22H28NO3.Br,,,,,,XEDCWWFPZMHXCM-UHFFFAOYSA-M,,,,,,,,,,,
100.004.312,204-742-8,125-52-0,Oxyphencyclimine hydrochloride,"(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl cyclohexyl(hydroxy)phenylacetate hydrochloride",Cl.CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3,Cl.CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3,"InChI=1/C20H28N2O3.ClH/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17;/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3;1H",C20H28N2O3.ClH,,,,,,WXAYTPABEADAAB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.314,204-744-9,125-60-0,Fenpiverinium bromide,"1-(4-amino-4-oxo-3,3-diphenylbutyl)-1-methylpiperidinium bromide",[Br-].C[N+]1(CCC(C(=O)N)(c2ccccc2)c3ccccc3)CCCCC1,[Br-].C[N+]1(CCC(C(=O)N)(c2ccccc2)c3ccccc3)CCCCC1,"InChI=1/C22H28N2O.BrH/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25);1H",C22H29N2O.Br,,,,,,PMAHPMMCPXYARU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.315,204-745-4,125-64-4,Methyprylon,"3,3-diethyl-5-methylpiperidine-2,4-dione",CCC1(CC)C(=O)NCC(C)C1=O,CCC1(CC)C(=O)NCC(C)C1=O,"InChI=1/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)",C10H17NO2,,,,,,SIDLZWOQUZRBRU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.317,204-748-0,125-66-6,"(4a,8a,12a,13R,14S)-16-isopropyl-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid","16-isopropyl-5,9-dimethyltetracyclo[10.2.2.0~1,10~.0~4,9~]hexadec-15-ene-5,13,14-tricarboxylic acid (non-preferred name)",CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@H]2C[C@H]1C([C@@H]3C(=O)O)C(=O)O,CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O)[C@H]2C[C@H]1C([C@@H]3C(=O)O)C(=O)O,"InChI=1/C24H34O6/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(29)30)16(24)10-13(14)17(19(25)26)18(24)20(27)28/h11-13,15-18H,5-10H2,1-4H3,(H,25,26)(H,27,28)(H,29,30)",C24H34O6,,,,,,PXYRCOIAFZBLBN-SGYGTOPRSA-N,,,,,,,,,,,
100.004.832,205-314-3,138-14-7,Deferoxamine mesilate,N'-{5-[acetyl(hydroxy)amino]pentyl}-N-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N-hydroxysuccinamide methanesulfonate (salt),CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,"InChI=1/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)",C25H48N6O8.CH4O3S,,,,,,IDDIJAWJANBQLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.835,205-318-5,138-23-8,"3,7-dimethyloct-7-enyl isobutyrate","3,7-dimethyloct-7-en-1-yl 2-methylpropanoate",CC(CCCC(=C)C)CCOC(=O)C(C)C,CC(CCCC(=C)C)CCOC(=O)C(C)C,"InChI=1/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3",C14H26O2,,,,,,KHCGLDOOFYZQKU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.836,205-319-0,138-24-9,"N,N,N-trimethylanilinium chloride","N,N,N-trimethylanilinium chloride",[Cl-].C[N+](C)(C)c1ccccc1,[Cl-].C[N+](C)(C)c1ccccc1,"InChI=1/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1",C9H14N.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18578,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.836,MQAYPFVXSPHGJM-UHFFFAOYSA-M,,,,,,,,,,,
100.004.837,205-320-6,138-25-0,Dimethyl 5-sulphoisophthalate,"3,5-bis(methoxycarbonyl)benzenesulfonic acid",COC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)OC,COC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)OC,"InChI=1/C10H10O7S/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h3-5H,1-2H3,(H,13,14,15)",C10H10O7S,,,,,,HTXMGVTWXZBZNC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.841,205-324-8,138-32-9,Hexadecyltrimethylammonium toluene-p-sulphonate,"N,N,N-trimethylhexadecan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCCCCCCC[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCCCCCCC[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C19H42N.C7H7O3S,,,,,,MZMRZONIDDFOGF-UHFFFAOYSA-M,,,,,,,,,,,
100.004.843,205-326-9,138-39-6,Mafenide,4-(aminomethyl)benzenesulfonamide,NCc1ccc(cc1)S(=O)(=O)N,NCc1ccc(cc1)S(=O)(=O)N,"InChI=1/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)",C7H10N2O2S,,,,,,TYMRLRRVMHJFTF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.983,206-580-3,355-25-9,Decafluorobutane,decafluorobutane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",C4F10,,,,,,KAVGMUDTWQVPDF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.986,206-584-5,355-41-9,"1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane","1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,"InChI=1/C6ClF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20",C6ClF13,,,,,,BDUCYIFEYLMINO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.987,206-585-0,355-42-0,Tetradecafluorohexane,tetradecafluorohexane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20",C6F14,,,,,,ZJIJAJXFLBMLCK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.989,206-587-1,355-46-4,Perfluorohexane-1-sulphonic acid,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)",C6HF13O3S,,,,,,QZHDEAJFRJCDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.001,206-600-0,356-24-1,Methyl heptafluorobutyrate,methyl heptafluorobutanoate,COC(=O)C(F)(F)C(F)(F)C(F)(F)F,COC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3",C5H3F7O2,,,,,,MRPUVAKBXDBGJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.003,206-602-1,356-27-4,Ethyl heptafluorobutyrate,ethyl heptafluorobutanoate,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3",C6H5F7O2,,,,,,JVHJRIQPDBCRRE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.008,206-607-9,356-81-0,"1-cyano-2,2,3,3-tetrafluorocyclobutane","2,2,3,3-tetrafluorocyclobutanecarbonitrile",FC1(F)CC(C#N)C1(F)F,FC1(F)CC(C#N)C1(F)F,"InChI=1/C5H3F4N/c6-4(7)1-3(2-10)5(4,8)9/h3H,1H2",C5H3F4N,,,,,,GSOKLACBKZQEAW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.010,206-610-5,357-07-3,"(5a)-4,5-epoxy-3,14-dihydroxy-17-methylmorphinan-6-one hydrochloride","3,14-dihydroxy-17-methyl-4,5-epoxymorphinan-6-one hydrochloride",Cl.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35,Cl.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35,"InChI=1/C17H19NO4.ClH/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9;/h2-3,12,15,19,21H,4-8H2,1H3;1H",C17H19NO4.ClH,,,,,,BCGJBQBWUGVESK-KCTCKCTRSA-N,,,,,,,,,,,
100.006.015,206-615-2,357-67-5,Phetharbital,"5,5-diethyl-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(CC)C(=O)NC(=O)N(C1=O)c2ccccc2,CCC1(CC)C(=O)NC(=O)N(C1=O)c2ccccc2,"InChI=1/C14H16N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,17,19)",C14H16N2O3,,,,,,ILORKHQGIMGDFN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.016,206-616-8,358-23-6,Trifluoromethanesulphonic anhydride,trifluoromethanesulphonic anhydride,FC(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F,FC(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F,"InChI=1/C2F6O5S2/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8",C2F6O5S2,,,,,,WJKHJLXJJJATHN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.352,204-786-8,126-45-4,Trisilver citrate,trisilver(1+) citrate,[Ag+].[Ag+].[Ag+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ag+].[Ag+].[Ag+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3Ag/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",C6H8O7.3Ag,,,,,,QUTYHQJYVDNJJA-UHFFFAOYSA-K,,,,,,,,,,,
100.004.357,204-792-0,126-54-5,"2,4,8,10-tetraoxaspiro[5.5]undecane","2,4,8,10-tetraoxaspiro[5.5]undecane",C1OCC2(COCOC2)CO1,C1OCC2(COCOC2)CO1,InChI=1/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2,C7H12O4,,,,,,BGCSUUSPRCDKBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.361,204-796-2,126-64-7,Linalyl benzoate,"1,5-dimethyl-1-vinylhex-4-en-1-yl benzoate",CC(=CCCC(C)(OC(=O)c1ccccc1)C=C)C,CC(=CCCC(C)(OC(=O)c1ccccc1)C=C)C,"InChI=1/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3",C17H22O2,,,,,,BTJXBZZBBNNTOV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.362,204-797-8,126-68-1,"O,O,O-triethyl phosphorothioate","O,O,O-triethyl thiophosphate",CCOP(=S)(OCC)OCC,CCOP(=S)(OCC)OCC,"InChI=1/C6H15O3PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3",C6H15O3PS,,,,,,QTPJMTACJMLPLL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.372,204-808-6,126-84-1,"2,2-diethoxypropane","2,2-diethoxypropane",CCOC(C)(C)OCC,CCOC(C)(C)OCC,"InChI=1/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3",C7H16O2,,,,,,FGQLGYBGTRHODR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.506,203-856-5,111-30-8,Glutaral,glutaraldehyde,O=CCCCC=O,O=CCCCC=O,"InChI=1/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2",C5H8O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1930,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.506,SXRSQZLOMIGNAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.509,203-859-1,111-33-1,"N,N'-dimethylpropane-1,3-diamine","N,N'-dimethylpropane-1,3-diamine",CNCCCNC,CNCCCNC,"InChI=1/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3",C5H14N2,,,,,,UQUPIHHYKUEXQD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.511,203-861-2,111-35-3,3-ethoxypropane-1-ol,3-ethoxypropan-1-ol,CCOCCCO,CCOCCCO,"InChI=1/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3",C5H12O2,,,,,,XHMWPVBQGARKQM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.518,203-869-6,111-43-3,Dipropyl ether,"1,1'-oxydipropane",CCCOCCC,CCCOCCC,"InChI=1/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3",C6H14O,,,,,,POLCUAVZOMRGSN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.531,203-883-2,111-57-9,N-(2-hydroxyethyl)stearamide,N-(2-hydroxyethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCCCCCCCC(=O)NCCO,"InChI=1/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)",C20H41NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14395,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.531,OTGQIQQTPXJQRG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.532,203-884-8,111-58-0,N-(2-hydroxyethyl)oleamide,N-(2-hydroxyethyl)octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCO,CCCCCCCC\C=C/CCCCCCCC(=O)NCCO,"InChI=1/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)",C20H39NO2,,,,,,BOWVQLFMWHZBEF-KTKRTIGZSA-N,,,,,,,,,,,
100.003.540,203-893-7,111-66-0,Oct-1-ene,oct-1-ene,CCCCCCC=C,CCCCCCC=C,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",C8H16,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15355,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.540,KWKAKUADMBZCLK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.543,203-896-3,111-69-3,Adiponitrile,adiponitrile,N#CCCCCC#N,N#CCCCCC#N,InChI=1/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2,C6H8N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14296,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.543,BTGRAWJCKBQKAO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.547,203-901-9,111-73-9,4-ethoxybutan-1-ol,4-ethoxybutan-1-ol,CCOCCCCO,CCOCCCCO,"InChI=1/C6H14O2/c1-2-8-6-4-3-5-7/h7H,2-6H2,1H3",C6H14O2,,,,,,QRUOTIJTSNETKW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.550,203-905-0,111-76-2,2-butoxyethanol,2-butoxyethanol,CCCCOCCO,CCCCOCCO,"InChI=1/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",C6H14O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15247,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.550,POAOYUHQDCAZBD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.050,204-454-2,121-20-0,"3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl2,2-dimethyl-3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)cyclopropanecarboxylate","3-but-2-en-1-yl-2-methyl-4-oxocyclopent-2-en-1-yl 3-(3-methoxy-2-methyl-3-oxoprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate",COC(=O)C(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=CC)C1(C)C)C,COC(=O)C(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=CC)C1(C)C)C,"InChI=1/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3",C21H28O5,,,,,,SHCRDCOTRILILT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.055,204-460-5,121-27-7,5-chloro-2-(4-chlorophenoxy)aniline,5-chloro-2-(4-chlorophenoxy)aniline,Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2,Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2,"InChI=1/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2",C12H9Cl2NO,,,,,,WLJSUJOESWTGEX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.056,204-461-0,121-28-8,"1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]ethan-1-one","1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanone",CC(C)NCC(=O)c1ccc(O)c(O)c1,CC(C)NCC(=O)c1ccc(O)c(O)c1,"InChI=1/C11H15NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,12-14H,6H2,1-2H3",C11H15NO3,,,,,,BIQMIYWSZZTXEX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.759,201-934-3,89-73-6,Salicylohydroxamic acid,"N,2-dihydroxybenzamide",ONC(=O)c1ccccc1O,ONC(=O)c1ccccc1O,"InChI=1/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)",C7H7NO3,,,,,,HBROZNQEVUILML-UHFFFAOYSA-N,,,,,,,,,,,
100.001.762,201-938-5,89-77-0,4-chloroanthranil acid,2-amino-4-chlorobenzoic acid,Nc1cc(Cl)ccc1C(=O)O,Nc1cc(Cl)ccc1C(=O)O,"InChI=1/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)",C7H6ClNO2,,,,,,JYYLQSCZISREGY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.764,201-940-6,89-79-2,Isopulegol,2-isopropenyl-5-methylcyclohexanol,C[C@@H]1CC[C@H]([C@H](O)C1)C(=C)C,C[C@@H]1CC[C@H]([C@H](O)C1)C(=C)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3",C10H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11447,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.764,ZYTMANIQRDEHIO-KXUCPTDWSA-N,,,,,,,,,,,
100.001.765,201-941-1,89-80-5,trans-menthone,2-isopropyl-5-methylcyclohexanone,CC(C)[C@H]1CC[C@H](C)CC1=O,CC(C)[C@H]1CC[C@H](C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,NFLGAXVYCFJBMK-DTWKUNHWSA-N,,,,,,,,,,,
100.001.768,201-944-8,89-83-8,Thymol,thymol,CC(C)c1ccc(C)cc1O,CC(C)c1ccc(C)cc1O,"InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",C10H14O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11030,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.768,MGSRCZKZVOBKFT-UHFFFAOYSA-N,Negative,,,,,,mzcloud:1270,[M-H]-,HCD_Averaged,107.0503:120.0581:133.06589:134.07378:147.08158,HighChem
100.001.770,201-946-9,89-86-1,"2,4-dihydroxybenzoic acid","2,4-dihydroxybenzoic acid",OC(=O)c1ccc(O)cc1O,OC(=O)c1ccc(O)cc1O,"InChI=1/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",C7H6O4,,,,,,UIAFKZKHHVMJGS-UHFFFAOYSA-N,,,,,,,,,,,
100.001.771,201-947-4,89-87-2,4-nitro-m-xylene,"2,4-dimethyl-1-nitrobenzene",Cc1ccc(c(C)c1)[N+](=O)[O-],Cc1ccc(c(C)c1)[N+](=O)[O-],"InChI=1/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3",C8H9NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12516,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.771,BBUPBICWUURTNP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.773,201-950-0,89-91-8,Methyl dimethoxyacetate,methyl dimethoxyacetate,COC(OC)C(=O)OC,COC(OC)C(=O)OC,"InChI=1/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3",C5H10O4,,,,,,NZTCVGHPDWAALP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.778,201-955-8,89-97-4,2-chlorobenzylamine,1-(2-chlorophenyl)methanamine,NCc1ccccc1Cl,NCc1ccccc1Cl,"InChI=1/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2",C7H8ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12260,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.778,KDDNKZCVYQDGKE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.781,201-958-4,90-00-6,2-ethylphenol,2-ethylphenol,CCc1ccccc1O,CCc1ccccc1O,"InChI=1/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3",C8H10O,,,,,,IXQGCWUGDFDQMF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.782,201-960-5,90-01-7,Salicyl alcohol,2-(hydroxymethyl)phenol,OCc1ccccc1O,OCc1ccccc1O,"InChI=1/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2",C7H8O2,,,,,,CQRYARSYNCAZFO-UHFFFAOYSA-N,,,,,,,,,,,
100.001.783,201-961-0,90-02-8,Salicylaldehyde,salicylaldehyde,Oc1ccccc1C=O,Oc1ccccc1C=O,"InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H",C7H6O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5715,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.783,SMQUZDBALVYZAC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.789,201-967-3,90-13-1,1-chloronaphthalene,1-chloronaphthalene,Clc1cccc2ccccc12,Clc1cccc2ccccc12,InChI=1/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C10H7Cl,,,,,,JTPNRXUCIXHOKM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.795,201-974-1,90-19-7,"3,3',4',5-tetrahydroxy-7-methoxyflavone","2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one",COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O,COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O,"InChI=1/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3",C16H12O7,,,,,,JGUZGNYPMHHYRK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.798,201-977-8,90-22-2,Diethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammonium bromide,"N,N-diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethanaminium bromide",[Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,[Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,"InChI=1/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1",C19H32NO2.Br,,,,,,CEJGGHKJHDHLAZ-UHFFFAOYSA-M,,,,,,,,,,,
100.001.804,201-984-6,90-31-3,"2-(3-chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2cccc(Cl)c2,CC1=NN(C(=O)C1)c2cccc(Cl)c2,"InChI=1/C10H9ClN2O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3",C10H9ClN2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11812,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.804,RIOMUJXIGYZENC-UHFFFAOYSA-N,,,,,,,,,,,
100.001.805,201-985-1,90-32-4,"2-(3-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2cccc(N)c2,CC1=NN(C(=O)C1)c2cccc(N)c2,"InChI=1/C10H11N3O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3",C10H11N3O,,,,,,LCYJOUXSUHOSCW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.807,201-987-2,90-34-6,Primaquine,"N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine",COc1cc(NC(C)CCCN)c2ncccc2c1,COc1cc(NC(C)CCCN)c2ncccc2c1,"InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3",C15H21N3O,,,,,,INDBQLZJXZLFIT-UHFFFAOYSA-N,Positive,EQ300901|EQ300902|EQ300903|EQ300904|EQ300905|EQ300906;ET160001|ET160002|ET160003|ET160004|ET160005,[M+H]+;[M+H]+,"HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",243.1491:86.0964:260.1755|86.0964:243.1492:175.0866|86.0964:175.0865:243.1492|86.0964:175.0865:69.0699|175.0865:86.0964:69.0699|132.0682:69.0699:175.0865;132.068:69.07:144.068|243.1489:86.0963:260.1754|86.0963:243.149:175.0864|86.0963:175.0863:243.1489|175.0864:86.0963:69.07,Eawag;Eawag_Additional_Specs,,,,,
100.001.813,201-994-0,90-44-8,Anthrone,anthracen-9(10H)-one,O=C1c2ccccc2Cc3ccccc13,O=C1c2ccccc2Cc3ccccc13,"InChI=1/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2",C14H10O,,,,,,RJGDLRCDCYRQOQ-UHFFFAOYSA-N,Positive,SM802903,[M+H]+,HCD35,195.0805:177.0699:69.0699,CASMI_2016,,,,,
100.004.322,204-753-8,125-72-4,Levorphanol hydrogen tartrate,"17-methylmorphinan-3-ol 2,3-dihydroxysuccinate (salt)",CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccc(O)cc34.OC(C(O)C(=O)O)C(=O)O,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccc(O)cc34.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C17H23NO.C4H6O6,,,,,,RWTWIZDKEIWLKQ-DYWKTHLTSA-N,,,,,,,,,,,
100.004.326,204-758-5,125-85-9,Caramiphen hydrochloride,2-(diethylamino)ethyl 1-phenylcyclopentanecarboxylate hydrochloride,Cl.CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2,Cl.CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2,"InChI=1/C18H27NO2.ClH/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1H",C18H27NO2.ClH,,,,,,MUPNXGNOIBYHSG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.329,204-761-1,125-93-9,"1,2,3-propanetriyl [1R-(1a,4aß,4ba,10aa)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate","2-{[(7-isopropyl-1,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)carbonyl]oxy}-1-({[(7-isopropyl-1,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)carbonyl]oxy}methyl)ethyl abiet-8(14)-en-18-oate",CC(C)C1CCC2C(=C1)CCC3C2(C)CCCC3(C)C(=O)OC(COC(=O)C4(C)CCCC5C4CCC6=CC(CCC56C)C(C)C)COC(=O)C7(C)CCCC8C7CCC9=CC(CCC89C)C(C)C,CC(C)C1CCC2C(=C1)CCC3C2(C)CCCC3(C)C(=O)OC(COC(=O)C4(C)CCCC5C4CCC6=CC(CCC56C)C(C)C)COC(=O)C7(C)CCCC8C7CCC9=CC(CCC89C)C(C)C,"InChI=1/C63H98O6/c1-39(2)42-18-22-49-45(34-42)19-25-54-60(49,9)30-15-31-63(54,12)57(66)69-48(37-67-55(64)61(10)28-13-16-50-52(61)23-20-46-35-43(40(3)4)26-32-58(46,50)7)38-68-56(65)62(11)29-14-17-51-53(62)24-21-47-36-44(41(5)6)27-33-59(47,51)8/h34-36,39-44,48-54H,13-33,37-38H2,1-12H3",C63H98O6,,,,,,IDSOGEPWJNPTTF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.330,204-762-7,125-99-5,Tridihexethyl iodide,"3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium iodide",[I-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2,[I-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2,"InChI=1/C21H36NO.HI/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1",C21H36NO.I,,,,,,VFEDLMLHAGASHB-UHFFFAOYSA-M,,,,,,,,,,,
100.004.331,204-763-2,126-00-1,"4,4-bis(4-hydroxyphenyl)valeric acid","4,4-bis(4-hydroxyphenyl)pentanoic acid",CC(CCC(=O)O)(c1ccc(O)cc1)c2ccc(O)cc2,CC(CCC(=O)O)(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)",C17H18O4,,,,,,VKOUCJUTMGHNOR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.342,204-775-8,126-18-1,(25R)-5ß-spirostan-3ß-ol,spirostan-3-ol,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,"InChI=1/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3",C27H44O3,,,,,,GMBQZIIUCVWOCD-UQHLGXRBSA-N,,,,,,,,,,,
100.004.344,204-777-9,126-20-5,"Disodium 5-oxo-1,3-dioxolan-4-ylidenedi(acetate)","disodium 2,2'-(5-oxo-1,3-dioxolane-4,4-diyl)diacetate",[Na]OC(=O)CC1(CC(=O)O[Na])OCOC1=O,[Na]OC(=O)CC1(CC(=O)O[Na])OCOC1=O,"InChI=1/C7H8O7.2Na/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7;;/h1-3H2,(H,8,9)(H,10,11);;/q;2*+1/p-2",C7H8O7.2Na,,,,,,HGXYMHQZIAWNKI-UHFFFAOYSA-L,,,,,,,,,,,
100.004.346,204-780-5,126-27-2,Oxetacaine,"2,2'-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methylacetamide]",CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,"InChI=1/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3",C28H41N3O3,,,,,,FTLDJPRFCGDUFH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.348,204-782-6,126-31-8,Methiodal sodium,sodium iodomethanesulfonate,[Na+].[O-]S(=O)(=O)CI,[Na+].[O-]S(=O)(=O)CI,"InChI=1/CH3IO3S.Na/c2-1-6(3,4)5;/h1H2,(H,3,4,5);/q;+1/p-1",CH3IO3S.Na,,,,,,COCJIVDXXCJXND-UHFFFAOYSA-M,,,,,,,,,,,
100.004.349,204-783-1,126-33-0,"Tetrahydrothiophene 1,1-dioxide","tetrahydrothiophene 1,1-dioxide",O=S1(=O)CCCC1,O=S1(=O)CCCC1,InChI=1/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2,C4H8O2S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13657,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.349,HXJUTPCZVOIRIF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.355,204-789-4,126-52-3,Ethinamate,1-ethynylcyclohexyl carbamate,NC(=O)OC1(CCCCC1)C#C,NC(=O)OC1(CCCCC1)C#C,"InChI=1/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)",C9H13NO2,,,,,,GXRZIMHKGDIBEW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.356,204-791-5,126-53-4,"Propane-1,2,3-triyl trinonan-1-oate","propane-1,2,3-triyl trinonanoate",CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC,CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC,"InChI=1/C30H56O6/c1-4-7-10-13-16-19-22-28(31)34-25-27(36-30(33)24-21-18-15-12-9-6-3)26-35-29(32)23-20-17-14-11-8-5-2/h27H,4-26H2,1-3H3",C30H56O6,,,,,,YRIMSXJXBHUHJT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.018,206-618-9,358-52-1,Hexapropymate,1-prop-2-yn-1-ylcyclohexyl carbamate,NC(=O)OC1(CC#C)CCCCC1,NC(=O)OC1(CC#C)CCCCC1,"InChI=1/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12)",C10H15NO2,,,,,,MIRHIEAGDGUXKL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.019,206-619-4,358-67-8,"Dimethoxymethyl(3,3,3-trifluoropropyl)silane","(dimethoxymethyl)(3,3,3-trifluoropropyl)silane",COC(OC)[SiH2]CCC(F)(F)F,COC(OC)[SiH2]CCC(F)(F)F,"InChI=1/C6H13F3O2Si/c1-10-5(11-2)12-4-3-6(7,8)9/h5H,3-4,12H2,1-2H3",C6H13F3O2Si,,,,,,YEROEIVBCZSQJY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.020,206-621-5,358-97-4,"1,2-dibromo-1-fluoroethane","1,2-dibromo-1-fluoroethane",FC(Br)CBr,FC(Br)CBr,"InChI=1/C2H3Br2F/c3-1-2(4)5/h2H,1H2",C2H3Br2F,,,,,,MZYSDQJCGXPRJB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.022,206-623-6,359-06-8,Fluoroacetyl chloride,fluoroacetyl chloride,FCC(=O)Cl,FCC(=O)Cl,InChI=1/C2H2ClFO/c3-2(5)1-4/h1H2,C2H2ClFO,,,,,,ZBHDTYQJAQDBIH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.030,206-632-5,359-70-6,Pentadecafluorotriethylamine,"1,1,2,2,2-pentafluoro-N,N-bis(pentafluoroethyl)ethanamine",FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,"InChI=1/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15",C6F15N,,,,,,CBEFDCMSEZEGCX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.032,206-634-6,359-83-1,Pentazocine,"6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C,C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C,"InChI=1/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3",C19H27NO,,,,,,VOKSWYLNZZRQPF-GDIGMMSISA-N,,,,,,,,,,,
100.006.033,206-635-1,360-52-1,"1,1,3,3-tetrafluoroacetone","1,1,3,3-tetrafluoroacetone",FC(F)C(=O)C(F)F,FC(F)C(=O)C(F)F,InChI=1/C3H2F4O/c4-2(5)1(8)3(6)7/h2-3H,C3H2F4O,,,,,,QAPXLUZMMFIIBI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.852,205-336-3,138-61-4,"2-(3,4-dihydroxyphenyl)-2-hydroxy-1-methylethylammonium chloride","1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-aminium chloride",[Cl-].CC([NH3+])C(O)c1ccc(O)c(O)c1,[Cl-].CC([NH3+])C(O)c1ccc(O)c(O)c1,"InChI=1/C9H13NO3.ClH/c1-5(10)9(13)6-2-3-7(11)8(12)4-6;/h2-5,9,11-13H,10H2,1H3;1H",C9H13NO3.ClH,,,,,,YRJLEOWRVNBAOI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.853,205-337-9,138-65-8,(±)-4-(2-amino-1-hydroxyethyl)pyrocatechol,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol",NCC(O)c1ccc(O)c(O)c1,NCC(O)c1ccc(O)c(O)c1,"InChI=1/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2",C8H11NO3,,,,,,SFLSHLFXELFNJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.859,205-344-7,138-91-0,4-isopropenylcyclohex-1-enecarbaldehyde oxime,4-isopropenylcyclohex-1-ene-1-carbaldehyde oxime,C=C(C)C1C\\C=C(\\C=NO)CC1,C=C(C)C1C\C=C(\C=NO)CC1,"InChI=1/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3",C10H15NO,,,,,,XCOJIVIDDFTHGB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.861,205-346-8,138-93-2,Disodium cyanodithiocarbamate,disodium cyanodithiocarbamate,[Na+].[Na+].[S-]C(=S)NC#N.[S-]C(=S)NC#N,[Na+].[Na+].[S-]C(=S)NC#N.[S-]C(=S)NC#N,"InChI=1/2C2H2N2S2.2Na/c2*3-1-4-2(5)6;;/h2*(H2,4,5,6);;/q;;2*+1/p-2",C2H2N2S2.2Na,,,,,,MWIKOSVASCFSHB-UHFFFAOYSA-L,,,,,,,,,,,
100.004.862,205-347-3,139-02-6,Sodium phenoxide,sodium phenolate,[Na+].[O-]c1ccccc1,[Na+].[O-]c1ccccc1,"InChI=1/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1",C6H6O.Na,,,,,,NESLWCLHZZISNB-UHFFFAOYSA-M,,,,,,,,,,,
100.004.871,205-357-8,139-29-7,"3',4-dinitrobenzanilide",4-nitro-N-(3-nitrophenyl)benzamide,[O-][N+](=O)c1ccc(cc1)C(=O)Nc2cccc(c2)[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)C(=O)Nc2cccc(c2)[N+](=O)[O-],"InChI=1/C13H9N3O5/c17-13(9-4-6-11(7-5-9)15(18)19)14-10-2-1-3-12(8-10)16(20)21/h1-8H,(H,14,17)",C13H9N3O5,,,,,,LZBOEAUDEFYCDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.878,205-365-1,139-45-7,Glycerol tripropionate,"propane-1,2,3-triyl tripropanoate",CCC(=O)OCC(COC(=O)CC)OC(=O)CC,CCC(=O)OCC(COC(=O)CC)OC(=O)CC,"InChI=1/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3",C12H20O6,,,,,,YZWRNSARCRTXDS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.880,205-367-2,139-59-3,4-phenoxyaniline,4-phenoxyaniline,Nc1ccc(Oc2ccccc2)cc1,Nc1ccc(Oc2ccccc2)cc1,"InChI=1/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2",C12H11NO,,,,,,WOYZXEVUWXQVNV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.884,205-371-4,139-66-2,Diphenyl sulphide,"1,1'-sulfanediyldibenzene",S(c1ccccc1)c2ccccc2,S(c1ccccc1)c2ccccc2,InChI=1/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,C12H10S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17664,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.884,LTYMSROWYAPPGB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.887,205-375-6,139-83-3,"3,5-dibutylpyridine","3,5-dibutylpyridine",CCCCc1cncc(CCCC)c1,CCCCc1cncc(CCCC)c1,"InChI=1/C13H21N/c1-3-5-7-12-9-13(8-6-4-2)11-14-10-12/h9-11H,3-8H2,1-2H3",C13H21N,,,,,,PJOMZRGTNZQMMB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.891,205-379-8,139-87-7,N-ethyldiethanolamine,"2,2'-(ethylimino)diethanol",CCN(CCO)CCO,CCN(CCO)CCO,"InChI=1/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3",C6H15NO2,,,,,,AKNUHUCEWALCOI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.061,204-466-8,121-34-6,Vanillic acid,4-hydroxy-3-methoxybenzoic acid,COc1cc(ccc1O)C(=O)O,COc1cc(ccc1O)C(=O)O,"InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",C8H8O4,,,,,,WKOLLVMJNQIZCI-UHFFFAOYSA-N,Negative,,,,,,ML005851,[M-H]-,HCD50,167.0348:152.0113:123.045,MetaboLights
100.004.064,204-469-4,121-44-8,Triethylamine,"N,N-diethylethanamine",CCN(CC)CC,CCN(CC)CC,"InChI=1/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15N,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14938,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.064,ZMANZCXQSJIPKH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.065,204-471-5,121-45-9,Trimethyl phosphite,trimethyl phosphite,COP(OC)OC,COP(OC)OC,InChI=1/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3,C3H9O3P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13214,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.065,CYTQBVOFDCPGCX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.072,204-478-3,121-53-9,3-sulphobenzoic acid,3-sulfobenzoic acid,OC(=O)c1cccc(c1)S(=O)(=O)O,OC(=O)c1cccc(c1)S(=O)(=O)O,"InChI=1/C7H6O5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)",C7H6O5S,,,,,,QMWGSOMVXSRXQX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.081,204-488-8,121-63-1,"4,4'-oxybis(benzene-1-sulphonyl) dichloride","4,4'-oxydibenzenesulfonyl chloride",ClS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)Cl)cc1,ClS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)Cl)cc1,"InChI=1/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H",C12H8Cl2O5S2,,,,,,HJKXLQIPODSWMB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.082,204-489-3,121-65-3,p-dodecylbenzenesulphonic acid,4-dodecylbenzenesulfonic acid,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,"InChI=1/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",C18H30O3S,,,,,,KWXICGTUELOLSQ-UHFFFAOYSA-N,Negative,,,,,,SM876251,[M-H]-,HCD35,325.1842:183.0121:184.0199,CASMI_2016
100.004.085,204-493-5,121-69-7,"N,N-dimethylaniline","N,N-dimethylaniline",CN(C)c1ccccc1,CN(C)c1ccccc1,"InChI=1/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5396,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.085,JLTDJTHDQAWBAV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.088,204-496-1,121-73-3,1-chloro-3-nitrobenzene,1-chloro-3-nitrobenzene,[O-][N+](=O)c1cccc(Cl)c1,[O-][N+](=O)c1cccc(Cl)c1,InChI=1/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,C6H4ClNO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17642,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.088,KMAQZIILEGKYQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.090,204-498-2,121-79-9,"Propyl 3,4,5-trihydroxybenzoate","propyl 3,4,5-trihydroxybenzoate",CCCOC(=O)c1cc(O)c(O)c(O)c1,CCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3",C10H12O5,,,,,,ZTHYODDOHIVTJV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.091,204-499-8,121-81-3,"3,5-dinitrobenzamide","3,5-dinitrobenzamide",NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)",C7H5N3O5,,,,,,UUKWKUSGGZNXGA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.094,204-502-2,121-87-9,2-chloro-4-nitroaniline,2-chloro-4-nitroaniline,Nc1ccc(cc1Cl)[N+](=O)[O-],Nc1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2",C6H5ClN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17086,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.094,LOCWBQIWHWIRGN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.095,204-503-8,121-88-0,2-amino-5-nitrophenol,2-amino-5-nitrophenol,Nc1ccc(cc1O)[N+](=O)[O-],Nc1ccc(cc1O)[N+](=O)[O-],"InChI=1/C6H6N2O3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H,7H2",C6H6N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12835,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.095,DOPJTDJKZNWLRB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.096,204-504-3,121-89-1,3'-nitroacetophenone,1-(3-nitrophenyl)ethanone,CC(=O)c1cccc(c1)[N+](=O)[O-],CC(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3",C8H7NO3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17481,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.096,ARKIFHPFTHVKDT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.097,204-505-9,121-90-4,3-nitrobenzoyl chloride,3-nitrobenzoyl chloride,[O-][N+](=O)c1cccc(c1)C(=O)Cl,[O-][N+](=O)c1cccc(c1)C(=O)Cl,InChI=1/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,C7H4ClNO3,,,,,,NXTNASSYJUXJDV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.926,204-318-2,119-38-0,1-isopropyl-3-methylpyrazol-5-yl dimethylcarbamate,1-isopropyl-3-methyl-1H-pyrazol-5-yl dimethylcarbamate,CC(C)n1nc(C)cc1OC(=O)N(C)C,CC(C)n1nc(C)cc1OC(=O)N(C)C,"InChI=1/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3",C10H17N3O2,,,,,,RNNBHZYEKNHLKT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.933,204-326-6,119-45-9,[2-[(allylamino)carbonyl]phenoxy]acetic acid,[2-(allylcarbamoyl)phenoxy]acetic acid,OC(=O)COc1ccccc1C(=O)NCC=C,OC(=O)COc1ccccc1C(=O)NCC=C,"InChI=1/C12H13NO4/c1-2-7-13-12(16)9-5-3-4-6-10(9)17-8-11(14)15/h2-6H,1,7-8H2,(H,13,16)(H,14,15)",C12H13NO4,,,,,,IHBWXJXQXPFUAE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.943,204-337-6,119-61-9,Benzophenone,benzophenone,O=C(c1ccccc1)c2ccccc2,O=C(c1ccccc1)c2ccccc2,InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C13H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13823,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.943,RWCCWEUUXYIKHB-UHFFFAOYSA-N,Positive,UA001501|UA001503,[M+H]+,CID35|CID35,105.0334:183.0805:77.0386|105.0335:183.0806:77.0386,UFZ_Additional_Specs,,,,,
100.003.946,204-340-2,119-64-2,"1,2,3,4-tetrahydronaphthalene","1,2,3,4-tetrahydronaphthalene",C1CCc2ccccc2C1,C1CCc2ccccc2C1,"InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",C10H12,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1771,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.946,CXWXQJXEFPUFDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.954,204-349-1,119-76-6,"N,N'-(4-nitro-1,3-phenylene)bis(acetamide)","N,N'-(4-nitro-1,3-phenylene)diacetamide",CC(=O)Nc1ccc(c(NC(=O)C)c1)[N+](=O)[O-],CC(=O)Nc1ccc(c(NC(=O)C)c1)[N+](=O)[O-],"InChI=1/C10H11N3O4/c1-6(14)11-8-3-4-10(13(16)17)9(5-8)12-7(2)15/h3-5H,1-2H3,(H,11,14)(H,12,15)",C10H11N3O4,,,,,,BBPXRFUIVJRWKY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.818,201-999-8,90-50-6,"3,4,5-trimethoxycinnamic acid","3-(3,4,5-trimethoxyphenyl)acrylic acid",COc1cc(\\C=C\\C(=O)O)cc(OC)c1OC,COc1cc(\C=C\C(=O)O)cc(OC)c1OC,"InChI=1/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)",C12H14O5,,,,,,YTFVRYKNXDADBI-SNAWJCMRSA-N,,,,,,,,,,,
100.001.820,202-001-3,90-52-8,6-methoxy-8-quinolylamine,6-methoxyquinolin-8-amine,COc1cc(N)c2ncccc2c1,COc1cc(N)c2ncccc2c1,"InChI=1/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3",C10H10N2O,,,,,,YGGTVPCTAKYCSQ-UHFFFAOYSA-N,Positive,ET160301,[M+H]+,HCD160-0.41mz or 15 (mz>350) nominal units,132.0682:131.0604:160.0631,Eawag_Additional_Specs,,,,,
100.001.821,202-002-9,90-54-0,Etafenone,1-{2-[2-(diethylamino)ethoxy]phenyl}-3-phenylpropan-1-one,CCN(CC)CCOc1ccccc1C(=O)CCc2ccccc2,CCN(CC)CCOc1ccccc1C(=O)CCc2ccccc2,"InChI=1/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3",C21H27NO2,,,,,,OEGDFSLNGABBKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.823,202-005-5,90-60-8,"3,5-dichlorosalicylaldehyde","3,5-dichloro-2-hydroxybenzaldehyde",Oc1c(Cl)cc(Cl)cc1C=O,Oc1c(Cl)cc(Cl)cc1C=O,"InChI=1/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H",C7H4Cl2O2,,,,,,FABVMBDCVAJXMB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.828,202-010-2,90-67-5,"2,2'-thiobis(4,6-di-sec-pentylphenol)","2,2'-sulfanediylbis[4,6-bis(1-methylbutyl)phenol]",CCCC(C)c1cc(Sc2cc(cc(C(C)CCC)c2O)C(C)CCC)c(O)c(c1)C(C)CCC,CCCC(C)c1cc(Sc2cc(cc(C(C)CCC)c2O)C(C)CCC)c(O)c(c1)C(C)CCC,"InChI=1/C32H50O2S/c1-9-13-21(5)25-17-27(23(7)15-11-3)31(33)29(19-25)35-30-20-26(22(6)14-10-2)18-28(32(30)34)24(8)16-12-4/h17-24,33-34H,9-16H2,1-8H3",C32H50O2S,,,,,,FLLOPEDWTVKHRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.831,202-013-9,90-72-2,"2,4,6-tris(dimethylaminomethyl)phenol","2,4,6-tris[(dimethylamino)methyl]phenol",CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1,CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1,"InChI=1/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3",C15H27N3O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13928,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.831,AHDSRXYHVZECER-UHFFFAOYSA-N,,,,,,,,,,,
100.001.833,202-016-5,90-80-2,"D-glucono-1,5-lactone","3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)",OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2",C6H10O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1952,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.833,PHOQVHQSTUBQQK-SQOUGZDYSA-N,,,,,,,,,,,
100.001.836,202-019-1,90-84-6,Amfepramone,2-(diethylamino)-1-phenylpropan-1-one,CCN(CC)C(C)C(=O)c1ccccc1,CCN(CC)C(C)C(=O)c1ccccc1,"InChI=1/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3",C13H19NO,,,,,,XXEPPPIWZFICOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.845,202-029-6,90-97-1,"4,4'-dichloro-a-phenylbenzylic alcohol",bis(4-chlorophenyl)methanol,OC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,OC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H",C13H10Cl2O,,,,,,PHUYGURFBULKPA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.850,202-034-3,91-02-1,Phenyl 2-pyridyl ketone,phenyl(pyridin-2-yl)methanone,O=C(c1ccccc1)c2ccccn2,O=C(c1ccccc1)c2ccccn2,InChI=1/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H,C12H9NO,,,,,,GCSHUYKULREZSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.852,202-036-4,91-04-3,"3,5-bis(hydroxymethyl)-p-cresol","3,5-bis(hydroxymethyl)-4-methylphenol",Cc1c(CO)cc(O)cc1CO,Cc1c(CO)cc(O)cc1CO,"InChI=1/C9H12O3/c1-6-7(4-10)2-9(12)3-8(6)5-11/h2-3,10-12H,4-5H2,1H3",C9H12O3,,,,,,WQOLWBBJVRDUBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.857,202-042-7,91-13-4,"a,a'-dibromo-o-xylene","1,2-bis(bromomethyl)benzene",BrCc1ccccc1CBr,BrCc1ccccc1CBr,"InChI=1/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2",C8H8Br2,,,,,,KGKAYWMGPDWLQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.861,202-046-9,91-17-8,Decahydronaphthalene,decahydronaphthalene,C1CCC2CCCCC2C1,C1CCC2CCCCC2C1,"InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2",C10H18,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10843,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.861,NNBZCPXTIHJBJL-UHFFFAOYSA-N,,,,,,,,,,,
100.001.862,202-047-4,91-19-0,Quinoxaline,quinoxaline,c1ccc2nccnc2c1,c1ccc2nccnc2c1,InChI=1/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H,C8H6N2,,,,,,XSCHRSMBECNVNS-UHFFFAOYSA-N,Positive,SM808501,[M+H]+,HCD35,131.0603:104.0494:71.0492,CASMI_2016,,,,,
100.001.864,202-050-0,91-21-4,"1,2,3,4-tetrahydroisoquinoline","1,2,3,4-tetrahydroisoquinoline",C1Cc2ccccc2CN1,C1Cc2ccccc2CN1,"InChI=1/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2",C9H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10824,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.864,UWYZHKAOTLEWKK-UHFFFAOYSA-N,,,,,,,,,,,
100.001.865,202-051-6,91-22-5,Quinoline,quinoline,c1ccc2ncccc2c1,c1ccc2ncccc2c1,InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H,C9H7N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14335,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.865,SMWDFEZZVXVKRB-UHFFFAOYSA-N,,,,,,,,,,,
100.001.867,202-053-7,91-25-8,Sodium 2-formylbenzenesulphonate dihydrate,sodium 2-formylbenzenesulfonate dihydrate,O.O.[Na+].[O-]S(=O)(=O)c1ccccc1C=O,O.O.[Na+].[O-]S(=O)(=O)c1ccccc1C=O,"InChI=1/C7H6O4S.Na.2H2O/c8-5-6-3-1-2-4-7(6)12(9,10)11;;;/h1-5H,(H,9,10,11);;2*1H2/q;+1;;/p-1",C7H6O4S,,,,,,GTFDHQNYDVAIKD-UHFFFAOYSA-M,,,,,,,,,,,
100.004.358,204-793-6,126-57-8,"2-ethyl-2-[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate","2,2-bis[(nonanoyloxy)methyl]butyl nonanoate (non-preferred name)",CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,"InChI=1/C33H62O6/c1-5-9-12-15-18-21-24-30(34)37-27-33(8-4,28-38-31(35)25-22-19-16-13-10-6-2)29-39-32(36)26-23-20-17-14-11-7-3/h5-29H2,1-4H3",C33H62O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10773,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.358,KDMAJIXYCNOVJB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.363,204-798-3,126-71-6,Triisobutyl phosphate,triisobutyl phosphate,CC(C)COP(=O)(OCC(C)C)OCC(C)C,CC(C)COP(=O)(OCC(C)C)OCC(C)C,"InChI=1/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27O4P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14576,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.363,HRKAMJBPFPHCSD-UHFFFAOYSA-N,Positive,SM824801;SM880801;UF418803|UF418804,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD35;CID35|CID55,98.9842:155.0468:57.0701;98.9842:155.0468:57.0701;98.9845:155.0474|98.9845:155.0474,CASMI_2016;CASMI_2016;UFZ,,,,,
100.004.366,204-801-8,126-75-0,Demeton-S,"O,O-diethyl S-[2-(ethylsulfanyl)ethyl] thiophosphate",CCOP(=O)(OCC)SCCSCC,CCOP(=O)(OCC)SCCSCC,"InChI=1/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3",C8H19O3PS2,,,,,,GRPRVIYRYGLIJU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.370,204-806-5,126-82-9,Disodium arsonoacetate,disodium arsonoacetate,[Na+].[Na+].O[As](=O)(O)CC(=O)[O-].O[As](=O)(O)CC(=O)[O-],[Na+].[Na+].O[As](=O)(O)CC(=O)[O-].O[As](=O)(O)CC(=O)[O-],"InChI=1/2C2H5AsO5.2Na/c2*4-2(5)1-3(6,7)8;;/h2*1H2,(H,4,5)(H2,6,7,8);;/q;;2*+1/p-2",C2H5AsO5.2Na,,,,,,UGAJXYFECGBUFM-UHFFFAOYSA-L,,,,,,,,,,,
100.003.500,203-849-7,111-24-0,"1,5-dibromopentane","1,5-dibromopentane",BrCCCCCBr,BrCCCCCBr,InChI=1/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2,C5H10Br2,,,,,,IBODDUNKEPPBKW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.503,203-852-3,111-27-3,Hexan-1-ol,hexan-1-ol,CCCCCCO,CCCCCCO,"InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",C6H14O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13265,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.503,ZSIAUFGUXNUGDI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.504,203-853-9,111-28-4,"Hexa-2,4-dien-1-ol","hexa-2,4-dien-1-ol",CC=CC=CCO,CC=CC=CCO,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3",C6H10O,,,,,,MEIRRNXMZYDVDW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.514,203-864-9,111-39-7,N-propylethylenediamine,"N-propylethane-1,2-diamine",CCCNCCN,CCCNCCN,"InChI=1/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3",C5H14N2,,,,,,CFNHVUGPXZUTRR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.515,203-865-4,111-40-0,"2,2'-iminodi(ethylamine)","N-(2-aminoethyl)ethane-1,2-diamine",NCCNCCN,NCCNCCN,"InChI=1/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2",C4H13N3,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15883,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.515,RPNUMPOLZDHAAY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.521,203-872-2,111-46-6,"2,2'-oxydiethanol","2,2'-oxydiethanol",OCCOCCO,OCCOCCO,"InChI=1/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2",C4H10O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15766,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.521,MTHSVFCYNBDYFN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.527,203-879-0,111-52-4,"(E)-N,N,N',N'-tetramethylbut-2-ene-1,4-diamine","N,N,N',N'-tetramethylbut-2-ene-1,4-diamine",CN(C)C\\C=C\\CN(C)C,CN(C)C\C=C\CN(C)C,"InChI=1/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3",C8H18N2,,,,,,KUEDAAUECWBMLW-AATRIKPKSA-N,,,,,,,,,,,
100.003.528,203-880-6,111-53-5,"N,N,N',N'-tetramethylbut-2-ynylenediamine","N,N,N',N'-tetramethylbut-2-yne-1,4-diamine",CN(C)CC#CCN(C)C,CN(C)CC#CCN(C)C,"InChI=1/C8H16N2/c1-9(2)7-5-6-8-10(3)4/h7-8H2,1-4H3",C8H16N2,,,,,,FFDFQBBNDKGBGI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.530,203-882-7,111-56-8,2-bromododecanoic acid,2-bromododecanoic acid,CCCCCCCCCCC(Br)C(=O)O,CCCCCCCCCCC(Br)C(=O)O,"InChI=1/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10H2,1H3,(H,14,15)",C12H23BrO2,,,,,,HXKXBCBZXXQPPD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.538,203-891-6,111-64-8,Octanoyl chloride,octanoyl chloride,CCCCCCCC(=O)Cl,CCCCCCCC(=O)Cl,"InChI=1/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3",C8H15ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13360,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.538,REEZZSHJLXOIHL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.548,203-902-4,111-74-0,"N,N'-diethylethylenediamine","N,N'-diethylethane-1,2-diamine",CCNCCNCC,CCNCCNCC,"InChI=1/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3",C6H16N2,,,,,,CJKRXEBLWJVYJD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.051,204-455-8,121-21-1,"2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1a[S*(Z)],3ß]]-chrysanthemate","2-methyl-4-oxo-3-penta-2,4-dien-1-ylcyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(=C2C)C\\C=C/C=C)C1(C)C)C,CC(=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(=C2C)C\C=C/C=C)C1(C)C)C,"InChI=1/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3",C21H28O3,,,,,,ROVGZAWFACYCSP-VUMXUWRFSA-N,,,,,,,,,,,
100.004.052,204-456-3,121-22-2,N-(4-amino-2-chloro-5-methylphenyl)benzamide,N-(4-amino-2-chloro-5-methylphenyl)benzamide,Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1N,Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1N,"InChI=1/C14H13ClN2O/c1-9-7-13(11(15)8-12(9)16)17-14(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)",C14H13ClN2O,,,,,,OIDXADKOPPNJOB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.053,204-457-9,121-23-3,"4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-one","4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-one",O=C/2/C=C\\C(=N\\c1cc(C)c(N)cc1N)\\C=C\\2,O=C/2/C=C\C(=N\c1cc(C)c(N)cc1N)\C=C\2,"InChI=1/C13H13N3O/c1-8-6-13(12(15)7-11(8)14)16-9-2-4-10(17)5-3-9/h2-7H,14-15H2,1H3",C13H13N3O,,,,,,HAXAVAPYQCRUSA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.906,205-396-0,140-07-8,"2,2',2'',2'''-ethylenedinitrilotetraethanol","2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraethanol",OCCN(CCO)CCN(CCO)CCO,OCCN(CCO)CCN(CCO)CCO,"InChI=1/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2",C10H24N2O4,,,,,,BYACHAOCSIPLCM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.908,205-398-1,140-10-3,trans-cinnamic acid,3-phenylacrylic acid,OC(=O)\\C=C\\c1ccccc1,OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",C9H8O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17075,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.908,WBYWAXJHAXSJNI-VOTSOKGWSA-N,,,,,,,,,,,
100.004.912,205-402-1,140-21-6,Sodium benzyl succinate,sodium 4-(benzyloxy)-4-oxobutanoate,[Na+].[O-]C(=O)CCC(=O)OCc1ccccc1,[Na+].[O-]C(=O)CCC(=O)OCc1ccccc1,"InChI=1/C11H12O4.Na/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H,12,13);/q;+1/p-1",C11H12O4.Na,,,,,,YGNKLAAUOIITPV-UHFFFAOYSA-M,,,,,,,,,,,
100.004.915,205-405-8,140-25-0,Benzyl laurate,benzyl laurate,CCCCCCCCCCCC(=O)OCc1ccccc1,CCCCCCCCCCCC(=O)OCc1ccccc1,"InChI=1/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3",C19H30O2,,,,,,QNRYOQRUGRVBRL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.922,205-413-1,140-39-6,p-tolyl acetate,4-methylphenyl acetate,CC(=O)Oc1ccc(C)cc1,CC(=O)Oc1ccc(C)cc1,"InChI=1/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3",C9H10O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18821,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.922,CDJJKTLOZJAGIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.924,205-415-2,140-45-4,Sodium hydrogen [4-[(hydroxyacetyl)amino]phenyl]arsonate,sodium hydrogen [4-(glycoloylamino)phenyl]arsonate,[Na+].OCC(=O)Nc1ccc(cc1)[As](=O)([O-])[O-],[Na+].OCC(=O)Nc1ccc(cc1)[As](=O)([O-])[O-],"InChI=1/C8H10AsNO5.Na/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);/q;+1/p-2",C8H10AsNO5.Na,,,,,,UBGOFPKOVIKDPL-UHFFFAOYSA-L,,,,,,,,,,,
100.004.930,205-422-0,140-60-3,p-decylbenzenesulphonic acid,4-decylbenzenesulfonic acid,CCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,CCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,"InChI=1/C16H26O3S/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)20(17,18)19/h11-14H,2-10H2,1H3,(H,17,18,19)",C16H26O3S,,,,,,UASQKKHYUPBQJR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.933,205-425-7,140-65-8,Pramocaine,4-[3-(4-butoxyphenoxy)propyl]morpholine,CCCCOc1ccc(OCCCN2CCOCC2)cc1,CCCCOc1ccc(OCCCN2CCOCC2)cc1,"InChI=1/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3",C17H27NO3,,,,,,DQKXQSGTHWVTAD-UHFFFAOYSA-N,Positive,EQ327301|EQ327302|EQ327303|EQ327304|EQ327305|EQ327306|EQ327307|EQ327308|EQ327309,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,294.2062:100.0756:128.1069|294.2062:128.1069:100.0756|100.0756:128.1069:294.2064|100.0756:123.044:128.1069|100.0756:123.044:70.0651|100.0756:70.0651:56.0495|100.0756:56.0495:70.0651|56.0495:70.0651:65.0386|56.0495:65.0386:70.0651,Eawag,,,,,
100.004.937,205-429-9,140-73-8,"N,N'-hexamethylenebis(cinnamylideneamine)","N,N'-bis(3-phenylprop-2-en-1-ylidene)hexane-1,6-diamine",C(CCCN=CC=Cc1ccccc1)CCN=CC=Cc2ccccc2,C(CCCN=CC=Cc1ccccc1)CCN=CC=Cc2ccccc2,"InChI=1/C24H28N2/c1(9-19-25-21-11-17-23-13-5-3-6-14-23)2-10-20-26-22-12-18-24-15-7-4-8-16-24/h3-8,11-18,21-22H,1-2,9-10,19-20H2",C24H28N2,,,,,,ATPFMBHTMKBVLS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.938,205-430-4,140-75-0,4-fluorobenzylamine,1-(4-fluorophenyl)methanamine,NCc1ccc(F)cc1,NCc1ccc(F)cc1,"InChI=1/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2",C7H8FN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17947,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.938,IIFVWLUQBAIPMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.946,205-439-3,140-89-6,Potassium O-ethyl dithiocarbonate,potassium O-ethyl dithiocarbonate,[K+].CCOC(=S)[S-],[K+].CCOC(=S)[S-],"InChI=1/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",C3H6OS2.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11851,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.946,JCBJVAJGLKENNC-UHFFFAOYSA-M,,,,,,,,,,,
100.004.951,205-445-6,140-99-8,Calcium succinate,calcium succinate,[Ca+2].[O-]C(=O)CCC(=O)[O-],[Ca+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Ca/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Ca,,,,,,PBUBJNYXWIDFMU-UHFFFAOYSA-L,,,,,,,,,,,
100.004.955,205-449-8,141-03-7,Dibutyl succinate,dibutyl succinate,CCCCOC(=O)CCC(=O)OCCCC,CCCCOC(=O)CCC(=O)OCCCC,"InChI=1/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3",C12H22O4,,,,,,YUXIBTJKHLUKBD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.956,205-450-3,141-04-8,Diisobutyl adipate,diisobutyl adipate,CC(C)COC(=O)CCCCC(=O)OCC(C)C,CC(C)COC(=O)CCCCC(=O)OCC(C)C,"InChI=1/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3",C14H26O4,,,,,,RDOFJDLLWVCMRU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.970,205-466-0,141-18-4,Bis(2-butoxyethyl) adipate,bis(2-butoxyethyl) adipate,CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,"InChI=1/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3",C18H34O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10353,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.970,IHTSDBYPAZEUOP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.971,205-467-6,141-19-5,Bis(2-butoxyethyl) sebacate,bis(2-butoxyethyl) sebacate,CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC,CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC,"InChI=1/C22H42O6/c1-3-5-15-25-17-19-27-21(23)13-11-9-7-8-10-12-14-22(24)28-20-18-26-16-6-4-2/h3-20H2,1-2H3",C22H42O6,,,,,,KZBSIGKPGIZQJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.978,205-474-4,141-26-4,"3,7-dimethyloct-7-enal","3,7-dimethyloct-7-enal",CC(CCCC(=C)C)CC=O,CC(CCCC(=C)C)CC=O,"InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h8,10H,1,4-7H2,2-3H3",C10H18O,,,,,,KQZAHMIZMBERJX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.981,205-478-6,141-30-0,"3,6-dichloropyridazine","3,6-dichloropyridazine",Clc1ccc(Cl)nn1,Clc1ccc(Cl)nn1,InChI=1/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H,C4H2Cl2N2,,,,,,GUSWJGOYDXFJSI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.956,204-351-2,119-79-9,5-aminonaphthalene-2-sulphonic acid,5-aminonaphthalene-2-sulfonic acid,Nc1cccc2cc(ccc12)S(=O)(=O)O,Nc1cccc2cc(ccc12)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11628,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.956,UWPJYQYRSWYIGZ-UHFFFAOYSA-N,Negative,,,,,,SM834151,[M-H]-,HCD35,222.023:158.0611:107.0491,CASMI_2016
100.003.962,204-358-0,119-93-7,"4,4'-bi-o-toluidine","3,3'-dimethylbiphenyl-4,4'-diamine",Cc1cc(ccc1N)c2ccc(N)c(C)c2,Cc1cc(ccc1N)c2ccc(N)c(C)c2,"InChI=1/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3",C14H16N2,,,,,,NUIURNJTPRWVAP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.610,203-971-0,112-43-6,Undec-10-en-1-ol,undec-10-en-1-ol,OCCCCCCCCCC=C,OCCCCCCCCCC=C,"InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2",C11H22O,,,,,,GIEMHYCMBGELGY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.611,203-972-6,112-44-7,Undecanal,undecanal,CCCCCCCCCCC=O,CCCCCCCCCCC=O,"InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3",C11H22O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10847,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.611,KMPQYAYAQWNLME-UHFFFAOYSA-N,,,,,,,,,,,
100.003.615,203-976-8,112-48-1,"1,2-dibutoxyethane","1,1'-[ethane-1,2-diylbis(oxy)]dibutane",CCCCOCCOCCCC,CCCCOCCOCCCC,"InChI=1/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3",C10H22O2,,,,,,GDXHBFHOEYVPED-UHFFFAOYSA-N,,,,,,,,,,,
100.003.618,203-979-4,112-51-6,Dipentyl disulphide,"1,1'-disulfanediyldipentane",CCCCCSSCCCCC,CCCCCSSCCCCC,"InChI=1/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3",C10H22S2,,,,,,YSQZSPCQDXHJDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.621,203-983-6,112-54-9,Dodecanal,lauraldehyde,CCCCCCCCCCCC=O,CCCCCCCCCCCC=O,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3",C12H24O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13304,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.621,HFJRKMMYBMWEAD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.625,203-987-8,112-58-3,Dihexyl ether,"1,1'-oxydihexane",CCCCCCOCCCCCC,CCCCCCOCCCCCC,"InChI=1/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3",C12H26O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16485,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.625,BPIUIOXAFBGMNB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.626,203-988-3,112-59-4,2-(2-hexyloxyethoxy)ethanol,2-[2-(hexyloxy)ethoxy]ethanol,CCCCCCOCCOCCO,CCCCCCOCCOCCO,"InChI=1/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3",C10H22O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5882,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.626,GZMAAYIALGURDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.634,203-997-2,112-69-6,Hexadecyldimethylamine,"N,N-dimethylhexadecan-1-amine",CCCCCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCCCN(C)C,"InChI=1/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3",C18H39N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14932,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.634,NHLUVTZJQOJKCC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.636,203-999-3,112-71-0,1-bromotetradecane,1-bromotetradecane,CCCCCCCCCCCCCCBr,CCCCCCCCCCCCCCBr,"InChI=1/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",C14H29Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18555,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.636,KOFZTCSTGIWCQG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.641,204-005-0,112-77-6,Oleoyl chloride,octadec-9-enoyl chloride,CCCCCCCC\\C=C/CCCCCCCC(=O)Cl,CCCCCCCC\C=C/CCCCCCCC(=O)Cl,"InChI=1/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3",C18H33ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6870,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.641,MLQBTMWHIOYKKC-KTKRTIGZSA-N,,,,,,,,,,,
100.003.644,204-008-7,112-82-3,1-bromohexadecane,1-bromohexadecane,CCCCCCCCCCCCCCCCBr,CCCCCCCCCCCCCCCCBr,"InChI=1/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3",C16H33Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10277,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.644,HNTGIJLWHDPAFN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.645,204-009-2,112-84-5,(Z)-docos-13-enamide,docos-13-enamide,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)N,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N,"InChI=1/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)",C22H43NO,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14899,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.645,UAUDZVJPLUQNMU-KTKRTIGZSA-N,,,,,,,,,,,
100.003.646,204-010-8,112-85-6,Docosanoic acid,docosanoic acid,CCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)",C22H44O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14201,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.646,UKMSUNONTOPOIO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.651,204-016-0,112-91-4,Oleonitrile,octadec-9-enenitrile,CCCCCCCC\\C=C/CCCCCCCC#N,CCCCCCCC\C=C/CCCCCCCC#N,"InChI=1/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3",C18H33N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14514,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.651,UIAMCVSNZQYIQS-KTKRTIGZSA-N,,,,,,,,,,,
100.003.653,204-018-1,112-95-8,Icosane,icosane,CCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCC,"InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",C20H42,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11847,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.653,CBFCDTFDPHXCNY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.661,204-027-0,113-42-8,Methylergometrine,"N-[1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide",CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,"InChI=1/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)",C20H25N3O2,,,,,,UNBRKDKAWYKMIV-QWQRMKEZSA-N,,,,,,,,,,,
100.003.662,204-028-6,113-45-1,Methylphenidate,methyl phenyl(piperidin-2-yl)acetate,COC(=O)C(C1CCCCN1)c2ccccc2,COC(=O)C(C1CCCCN1)c2ccccc2,"InChI=1/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3",C14H19NO2,,,,,,DUGOZIWVEXMGBE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.870,202-056-3,91-28-1,5-nitro-2-p-toluidinobenzenesulphonic acid,2-[(4-methylphenyl)amino]-5-nitrobenzenesulfonic acid,Cc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1,Cc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1,"InChI=1/C13H12N2O5S/c1-9-2-4-10(5-3-9)14-12-7-6-11(15(16)17)8-13(12)21(18,19)20/h2-8,14H,1H3,(H,18,19,20)",C13H12N2O5S,,,,,,IXEBWGZZXCGASZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.872,202-058-4,91-30-5,5-amino-2-anilinobenzenesulphonic acid,5-amino-2-anilinobenzenesulfonic acid,Nc1ccc(Nc2ccccc2)c(c1)S(=O)(=O)O,Nc1ccc(Nc2ccccc2)c(c1)S(=O)(=O)O,"InChI=1/C12H12N2O3S/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2,(H,15,16,17)",C12H12N2O3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18745,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.872,HYLOSPCJTPLXSF-UHFFFAOYSA-N,,,,,,,,,,,
100.001.880,202-067-3,91-43-0,"1-chloro-2,5-diethoxy-4-nitrobenzene","1-chloro-2,5-diethoxy-4-nitrobenzene",CCOc1cc(c(OCC)cc1Cl)[N+](=O)[O-],CCOc1cc(c(OCC)cc1Cl)[N+](=O)[O-],"InChI=1/C10H12ClNO4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4H2,1-2H3",C10H12ClNO4,,,,,,HWLDAZMGMQYWGW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.883,202-071-5,91-49-6,N-butylacetanilide,N-butyl-N-phenylacetamide,CCCCN(C(=O)C)c1ccccc1,CCCCN(C(=O)C)c1ccccc1,"InChI=1/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3",C12H17NO,,,,,,ZWDZJRRQSXLOQR-UHFFFAOYSA-N,,,,,,,,,,,
100.001.890,202-078-3,91-57-6,2-methylnaphthalene,2-methylnaphthalene,Cc1ccc2ccccc2c1,Cc1ccc2ccccc2c1,"InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3",C11H10,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1696,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.890,QIMMUPPBPVKWKM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.894,202-083-0,91-61-2,"1,2,3,4-tetrahydro-6-methylquinoline","6-methyl-1,2,3,4-tetrahydroquinoline",Cc1ccc2NCCCc2c1,Cc1ccc2NCCCc2c1,"InChI=1/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3",C10H13N,,,,,,XOKMRXSMOHCNIX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.896,202-085-1,91-63-4,2-methylquinoline,2-methylquinoline,Cc1ccc2ccccc2n1,Cc1ccc2ccccc2n1,"InChI=1/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3",C10H9N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17554,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.896,SMUQFGGVLNAIOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.897,202-086-7,91-64-5,Coumarin,2H-chromen-2-one,O=C1Oc2ccccc2C=C1,O=C1Oc2ccccc2C=C1,InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,C9H6O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5348,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.897,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,Positive,SM817901,[M+H]+,HCD35,147.0439:103.0542:91.0542,CASMI_2016,,,,,
100.001.899,202-088-8,91-66-7,"N,N-diethylaniline","N,N-diethylaniline",CCN(CC)c1ccccc1,CCN(CC)c1ccccc1,"InChI=1/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C10H15N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5270,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.899,GGSUCNLOZRCGPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.001.904,202-094-0,91-75-8,Antazoline,"N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline",C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3,C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3,"InChI=1/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)",C17H19N3,,,,,,REYFJDPCWQRWAA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.908,202-098-2,91-79-2,Thenyldiamine,"N,N-dimethyl-N'-pyridin-2-yl-N'-(3-thienylmethyl)ethane-1,2-diamine",CN(C)CCN(Cc1ccsc1)c2ccccn2,CN(C)CCN(Cc1ccsc1)c2ccccn2,"InChI=1/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3",C14H19N3S,,,,,,RCGYDFVCAAKKNG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.413,202-653-9,98-29-3,4-tert-butylpyrocatechol,"4-tert-butylbenzene-1,2-diol",CC(C)(C)c1ccc(O)c(O)c1,CC(C)(C)c1ccc(O)c(O)c1,"InChI=1/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3",C10H14O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13800,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.413,XESZUVZBAMCAEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.414,202-654-4,98-30-6,2-amino-4-(methylsulphonyl)phenol,2-amino-4-(methylsulfonyl)phenol,CS(=O)(=O)c1ccc(O)c(N)c1,CS(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C7H9NO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3",C7H9NO3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19065,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.414,SFLMBHYNCSYPOO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.418,202-659-1,98-34-0,2-chlorotoluene-4-sulphonic acid,3-chloro-4-methylbenzenesulfonic acid,Cc1ccc(cc1Cl)S(=O)(=O)O,Cc1ccc(cc1Cl)S(=O)(=O)O,"InChI=1/C7H7ClO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H,9,10,11)",C7H7ClO3S,,,,,,UPMIEBBZKWZYEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.432,202-674-3,98-50-0,Arsanilic acid,(4-aminophenyl)arsonic acid,Nc1ccc(cc1)[As](=O)(O)O,Nc1ccc(cc1)[As](=O)(O)O,"InChI=1/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)",C6H8AsNO3,,,,,,XKNKHVGWJDPIRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.436,202-679-0,98-54-4,4-tert-butylphenol,4-tert-butylphenol,CC(C)(C)c1ccc(O)cc1,CC(C)(C)c1ccc(O)cc1,"InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",C10H14O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15260,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.436,QHPQWRBYOIRBIT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.439,202-682-7,98-57-7,1-chloro-4-(methylsulphonyl)benzene,1-chloro-4-(methylsulfonyl)benzene,CS(=O)(=O)c1ccc(Cl)cc1,CS(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7ClO2S,,,,,,LMCOQDVJBWVNNI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.444,202-687-4,98-62-4,Sulphanilyl fluoride,4-aminobenzenesulfonyl fluoride,Nc1ccc(cc1)S(=O)(=O)F,Nc1ccc(cc1)S(=O)(=O)F,"InChI=1/C6H6FNO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H,8H2",C6H6FNO2S,,,,,,BPUKPIBWYZWYQV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.448,202-692-1,98-68-0,4-methoxybenzenesulphonyl chloride,4-methoxybenzenesulfonyl chloride,COc1ccc(cc1)S(=O)(=O)Cl,COc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3",C7H7ClO3S,,,,,,DTJVECUKADWGMO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.058,204-463-1,121-30-2,"4-amino-6-chlorobenzene-1,3-disulphonamide","4-amino-6-chlorobenzene-1,3-disulfonamide",Nc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N,Nc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N,"InChI=1/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)",C6H8ClN3O4S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13919,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.058,IHJCXVZDYSXXFT-UHFFFAOYSA-N,Positive/Negative,EQ325701|EQ325704|EQ325705|EQ325706,[M+H]+,HCD15|HCD60|HCD75|HCD90,268.9451:204.9833:220.9781|157.0164:173.9952:173.0113|173.9952:173.0112:142.0054|89.026:173.9952:173.0112,Eawag,EQ325751|EQ325752,[M-H]-,HCD15|HCD30,77.9655:136.0514:120.0569|77.9655:120.0567:138.0019,Eawag
100.004.059,204-464-7,121-32-4,3-ethoxy-4-hydroxybenzaldehyde,3-ethoxy-4-hydroxybenzaldehyde,CCOc1cc(C=O)ccc1O,CCOc1cc(C=O)ccc1O,"InChI=1/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3",C9H10O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13700,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.059,CBOQJANXLMLOSS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.066,204-472-0,121-46-0,"8,9,10-trinorborna-2,5-diene","bicyclo[2.2.1]hepta-2,5-diene",C1C2C=CC1C=C2,C1C2C=CC1C=C2,"InChI=1/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2",C7H8,,,,,,SJYNFBVQFBRSIB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.068,204-474-1,121-48-2,"3,5-disulphobenzoic acid","3,5-disulfobenzoic acid",OC(=O)c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O,OC(=O)c1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C7H6O8S2/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15)",C7H6O8S2,,,,,,LZRAAMHXKXNHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.069,204-475-7,121-50-6,"6-chloro-a,a,a-trifluoro-m-toluidine",2-chloro-5-(trifluoromethyl)aniline,Nc1cc(ccc1Cl)C(F)(F)F,Nc1cc(ccc1Cl)C(F)(F)F,"InChI=1/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2",C7H5ClF3N,,,,,,VKTTYIXIDXWHKW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.070,204-476-2,121-51-7,3-nitrobenzenesulphonyl chloride,3-nitrobenzenesulfonyl chloride,[O-][N+](=O)c1cccc(c1)S(=O)(=O)Cl,[O-][N+](=O)c1cccc(c1)S(=O)(=O)Cl,"InChI=1/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H",C6H4ClNO4S,,,,,,MWWNNNAOGWPTQY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.073,204-479-9,121-54-0,Benzethonium chloride,"N-benzyl-N,N-dimethyl-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanaminium chloride",[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,"InChI=1/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1",C27H42NO2.Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16540,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.073,UREZNYTWGJKWBI-UHFFFAOYSA-M,,,,,,,,,,,
100.004.077,204-484-6,121-59-5,Carbarsone,[4-(carbamoylamino)phenyl]arsonic acid,NC(=O)Nc1ccc(cc1)[As](=O)(O)O,NC(=O)Nc1ccc(cc1)[As](=O)(O)O,"InChI=1/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)",C7H9AsN2O4,,,,,,WWXBHTZSYYGCSG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.086,204-494-0,121-71-1,3'-hydroxyacetophenone,1-(3-hydroxyphenyl)ethanone,CC(=O)c1cccc(O)c1,CC(=O)c1cccc(O)c1,"InChI=1/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3",C8H8O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18625,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.086,LUJMEECXHPYQOF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.919,204-310-9,119-27-7,"2,4-dinitroanisole","1-methoxy-2,4-dinitrobenzene",COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3",C7H6N2O5,,,,,,CVYZVNVPQRKDLW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.922,204-314-0,119-32-4,3-nitro-p-toluidine,4-methyl-3-nitroaniline,Cc1ccc(N)cc1[N+](=O)[O-],Cc1ccc(N)cc1[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3",C7H8N2O2,,,,,,GDIIPKWHAQGCJF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.929,204-321-9,119-41-5,Efloxate,ethyl [(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate,CCOC(=O)COc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,CCOC(=O)COc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,"InChI=1/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3",C19H16O5,,,,,,ZVXBAHLOGZCFTP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.931,204-324-5,119-43-7,Ethyl 2-phenylbutyrate,ethyl 2-phenylbutanoate,CCOC(=O)C(CC)c1ccccc1,CCOC(=O)C(CC)c1ccccc1,"InChI=1/C12H16O2/c1-3-11(12(13)14-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3",C12H16O2,,,,,,CLLUFLLBRNCOLB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.932,204-325-0,119-44-8,"2-aminopteridine-4(3H),6(5H)-dione","2-amino-1,5-dihydropteridine-4,6-dione",NC1=NC(=O)C2=C(N1)N=CC(=O)N2,NC1=NC(=O)C2=C(N1)N=CC(=O)N2,"InChI=1/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)",C6H5N5O2,,,,,,VURKRJGMSKJIQX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.934,204-327-1,119-47-1,"6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol","2,2'-methylenebis(6-tert-butyl-4-methylphenol)",Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,"InChI=1/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3",C23H32O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13380,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.934,KGRVJHAUYBGFFP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.938,204-331-3,119-53-9,Benzoin,"2-hydroxy-1,2-diphenylethanone",OC(C(=O)c1ccccc1)c2ccccc2,OC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H",C14H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1899,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.938,ISAOCJYIOMOJEB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.939,204-332-9,119-54-0,"N,N-diethylpiperazine-1-carboxamide","N,N-diethylpiperazine-1-carboxamide",CCN(CC)C(=O)N1CCNCC1,CCN(CC)C(=O)N1CCNCC1,"InChI=1/C9H19N3O/c1-3-11(4-2)9(13)12-7-5-10-6-8-12/h10H,3-8H2,1-2H3",C9H19N3O,,,,,,IWJSZNIFIDAYDY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.982,205-479-1,141-31-1,2-hydroxyadipaldehyde,2-hydroxyhexanedial,OC(CCCC=O)C=O,OC(CCCC=O)C=O,"InChI=1/C6H10O3/c7-4-2-1-3-6(9)5-8/h4-6,9H,1-3H2",C6H10O3,,,,,,WWMIMRADNBGDHP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.987,205-484-9,141-46-8,Glycollaldehyde,glycolaldehyde,OCC=O,OCC=O,"InChI=1/C2H4O2/c3-1-2-4/h1,4H,2H2",C2H4O2,,,,,,WGCNASOHLSPBMP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.995,205-493-8,141-65-1,Sodium bis(2-ethylhexyl) phosphate,sodium bis(2-ethylhexyl) phosphate,[Na+].CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC,[Na+].CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC,"InChI=1/C16H35O4P.Na/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+1/p-1",C16H35O4P.Na,,,,,,AOBMIXQSBXYCFW-UHFFFAOYSA-M,,,,,,,,,,,
100.004.996,205-494-3,141-66-2,(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate,3-(dimethylamino)-1-methyl-3-oxoprop-1-en-1-yl dimethyl phosphate,COP(=O)(OC)O\\C(=C\\C(=O)N(C)C)\\C,COP(=O)(OC)O\C(=C\C(=O)N(C)C)\C,"InChI=1/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3",C8H16NO5P,,,,,,VEENJGZXVHKXNB-VOTSOKGWSA-N,,,,,,,,,,,
100.005.876,206-463-7,345-83-5,4-fluorobenzophenone,(4-fluorophenyl)(phenyl)methanone,Fc1ccc(cc1)C(=O)c2ccccc2,Fc1ccc(cc1)C(=O)c2ccccc2,InChI=1/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,C13H9FO,,,,,,OGTSHGYHILFRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.887,206-475-2,347-93-3,2-chloro-4'-fluoropropiophenone,2-chloro-1-(4-fluorophenyl)propan-1-one,CC(Cl)C(=O)c1ccc(F)cc1,CC(Cl)C(=O)c1ccc(F)cc1,"InChI=1/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3",C9H8ClFO,,,,,,AGQLOTJUTCKLOE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.890,206-478-9,348-54-9,2-fluoroaniline,2-fluoroaniline,Nc1ccccc1F,Nc1ccccc1F,"InChI=1/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",C6H6FN,,,,,,FTZQXOJYPFINKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.900,206-489-9,349-75-7,3-(trifluoromethyl)benzylic alcohol,[3-(trifluoromethyl)phenyl]methanol,OCc1cccc(c1)C(F)(F)F,OCc1cccc(c1)C(F)(F)F,"InChI=1/C8H7F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2",C8H7F3O,,,,,,BXEHKCUWIODEDE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.902,206-492-5,349-78-0,m-nitrobenzenesulphonyl fluoride,3-nitrobenzenesulfonyl fluoride,[O-][N+](=O)c1cccc(c1)S(=O)(=O)F,[O-][N+](=O)c1cccc(c1)S(=O)(=O)F,"InChI=1/C6H4FNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H",C6H4FNO4S,,,,,,CWFLJNDQTKMBAM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.918,206-509-6,351-28-0,N-(3-fluorophenyl)acetamide,N-(3-fluorophenyl)acetamide,CC(=O)Nc1cccc(F)c1,CC(=O)Nc1cccc(F)c1,"InChI=1/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)",C8H8FNO,,,,,,AQLLDCFUQXGLHM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.923,206-514-3,351-54-2,3-fluoro-p-anisaldehyde,3-fluoro-4-methoxybenzaldehyde,COc1ccc(C=O)cc1F,COc1ccc(C=O)cc1F,"InChI=1/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3",C8H7FO2,,,,,,SOQCZBSZZLWDGU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.936,206-529-5,352-97-6,Guanidinoacetic acid,N-carbamimidoylglycine,NC(=N)NCC(=O)O,NC(=N)NCC(=O)O,"InChI=1/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)",C3H7N3O2,,,,,,BPMFZUMJYQTVII-UHFFFAOYSA-N,,,,,,,,,,,
100.005.937,206-530-0,353-09-3,3-guanidinopropionic acid,N-carbamimidoyl-beta-alanine,NC(=N)NCCC(=O)O,NC(=N)NCCC(=O)O,"InChI=1/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)",C4H9N3O2,,,,,,KMXXSJLYVJEBHI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.947,206-541-0,353-83-3,"1,1,1-trifluoroiodoethane","1,1,1-trifluoro-2-iodoethane",FC(F)(F)CI,FC(F)(F)CI,"InChI=1/C2H2F3I/c3-2(4,5)1-6/h1H2",C2H2F3I,,,,,,RKOUFQLNMRAACI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.948,206-542-6,353-85-5,Trifluoroacetonitrile,trifluoroacetonitrile,FC(F)(F)C#N,FC(F)(F)C#N,"InChI=1/C2F3N/c3-2(4,5)1-6",C2F3N,,,,,,SFFUEHODRAXXIA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.949,206-543-1,354-04-1,"1,2-dibromo-1,1,2-trifluoroethane","1,2-dibromo-1,1,2-trifluoroethane",FC(Br)C(F)(F)Br,FC(Br)C(F)(F)Br,"InChI=1/C2HBr2F3/c3-1(5)2(4,6)7/h1H",C2HBr2F3,,,,,,UREJNEBJDURREH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.951,206-545-2,354-11-0,"1,1,1,2-tetrachloro-2-fluoroethane","1,1,1,2-tetrachloro-2-fluoroethane",FC(Cl)C(Cl)(Cl)Cl,FC(Cl)C(Cl)(Cl)Cl,"InChI=1/C2HCl4F/c3-1(7)2(4,5)6/h1H",C2HCl4F,,,,,,SRCNPEKLEHSVCL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.952,206-546-8,354-14-3,"1,1,2,2-tetrachloro-1-fluoroethane","1,1,2,2-tetrachloro-1-fluoroethane",FC(Cl)(Cl)C(Cl)Cl,FC(Cl)(Cl)C(Cl)Cl,"InChI=1/C2HCl4F/c3-1(4)2(5,6)7/h1H",C2HCl4F,,,,,,LUBCGHUOCJOIJA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.953,206-547-3,354-19-8,Dichlorofluoroacetic acid,dichloroacetyl fluoride,ClC(Cl)C(F)=O,ClC(Cl)C(F)=O,InChI=1/C2HCl2FO/c3-1(4)2(5)6/h1H,C2HCl2FO2,,,,,,AWWIWKZBDFNMIY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.959,206-554-1,354-27-8,Chlorodifluoroacetyl fluoride,chloro(difluoro)acetyl fluoride,FC(=O)C(F)(F)Cl,FC(=O)C(F)(F)Cl,"InChI=1/C2ClF3O/c3-2(5,6)1(4)7",C2ClF3O,,,,,,GLIRIYXDZMHXGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.668,204-034-9,113-78-0,Demoxytocin,"1-{[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-sec-butyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-leucylglycinamide",CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N,"InChI=1/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)",C43H65N11O12S2,,,,,,GTYWGUNQAMYZPF-QPLNMOKZSA-N,,,,,,,,,,,
100.003.671,204-038-0,113-98-4,"Potassium [2S-(2a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,"InChI=1/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C16H18N2O4S.K,,,,,,JGSARLDLIJGVTE-UHFFFAOYSA-N,Positive,mzcloud:2743,[M+H]+;[M+CH3OH+H]+,HCD_Averaged,289.1005:176.07063:160.04268:128.05284:114.0372:91.0542:81.04473:65.03858,HighChem,,,,,
100.003.677,204-044-3,114-27-2,"5,6,7,8-tetrahydro-6,7-dimethylpteridine","6,7-dimethyl-5,6,7,8-tetrahydropteridine",CC1Nc2cncnc2NC1C,CC1Nc2cncnc2NC1C,"InChI=1/C8H12N4/c1-5-6(2)12-8-7(11-5)3-9-4-10-8/h3-6,11H,1-2H3,(H,9,10,12)",C8H12N4,,,,,,CALVHBWWYCZXKE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.678,204-045-9,114-32-9,(2-ethylphenyl)urea,1-(2-ethylphenyl)urea,CCc1ccccc1NC(=O)N,CCc1ccccc1NC(=O)N,"InChI=1/C9H12N2O/c1-2-7-5-3-4-6-8(7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)",C9H12N2O,,,,,,JVCAOEDDDQNLJU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.695,204-064-2,115-09-3,Chloromethylmercury,(chloromethyl)mercury(1+),ClC[Hg+],ClC[Hg+],InChI=1/CH2Cl.Hg/c1-2;/h1H2;/q;+1/rCH2ClHg/c2-1-3/h1H2/q+1,CH3ClHg,,,,,,GYJVUNXWPVTYOG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.697,204-066-3,115-11-7,2-methylpropene,2-methylprop-1-ene,CC(=C)C,CC(=C)C,"InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3",C4H8,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16106,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.697,VQTUBCCKSQIDNK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.699,204-068-4,115-18-4,2-methylbut-3-en-2-ol,2-methylbut-3-en-2-ol,CC(C)(O)C=C,CC(C)(O)C=C,"InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3",C5H10O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11701,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.699,HNVRRHSXBLFLIG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.701,204-071-0,115-20-8,"2,2,2-trichloroethanol","2,2,2-trichloroethanol",OCC(Cl)(Cl)Cl,OCC(Cl)(Cl)Cl,"InChI=1/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2",C2H3Cl3O,,,,,,KPWDGTGXUYRARH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.702,204-072-6,115-21-9,Trichloro(ethyl)silane,trichloro(ethyl)silane,CC[Si](Cl)(Cl)Cl,CC[Si](Cl)(Cl)Cl,"InChI=1/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3",C2H5Cl3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2094,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.702,ZOYFEXPFPVDYIS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.706,204-076-8,115-26-4,Dimefox,"N,N,N',N'-tetramethylphosphorodiamidic fluoride",CN(C)P(=O)(F)N(C)C,CN(C)P(=O)(F)N(C)C,"InChI=1/C4H12FN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3",C4H12FN2OP,,,,,,PGJBQBDNXAZHBP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.707,204-077-3,115-27-5,"1,4,5,6,7,7-hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic anhydride","4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione",ClC1=C(Cl)C2(Cl)C3C(C(=O)OC3=O)C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C(C(=O)OC3=O)C1(Cl)C2(Cl)Cl,"InChI=1/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H",C9H2Cl6O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2215,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.707,FLBJFXNAEMSXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.712,204-083-6,115-33-3,Oxyphenisatine di(acetate),"(2-oxo-2,3-dihydro-1H-indole-3,3-diyl)di-4,1-phenylene diacetate",CC(=O)Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(OC(=O)C)cc4,CC(=O)Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(OC(=O)C)cc4,"InChI=1/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)",C24H19NO5,,,,,,PHPUXYRXPHEJDF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.717,204-088-3,115-41-3,Catechol violet,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)dibenzene-1,2-diol",Oc1ccc(cc1O)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(O)c4,Oc1ccc(cc1O)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(O)c4,"InChI=1/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,20-23H",C19H14O7S,,,,,,RRRCKIRSVQAAAS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.718,204-089-9,115-43-5,5-allyl-5-phenylbarbituric acid,"5-allyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,"InChI=1/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)",C13H12N2O3,,,,,,WOIGZSBYKGQJGL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.719,204-090-4,115-44-6,Talbutal,"5-allyl-5-sec-butylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",C11H16N2O3,,,,,,BJVVMKUXKQHWJK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.460,202-706-6,98-84-0,1-phenylethylamine,1-phenylethanamine,CC(N)c1ccccc1,CC(N)c1ccccc1,"InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3",C8H11N,,,,,,RQEUFEKYXDPUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.462,202-708-7,98-86-2,Acetophenone,1-phenylethanone,CC(=O)c1ccccc1,CC(=O)c1ccccc1,"InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",C8H8O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14683,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.462,KWOLFJPFCHCOCG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.463,202-709-2,98-87-3,"a,a-dichlorotoluene",(dichloromethyl)benzene,ClC(Cl)c1ccccc1,ClC(Cl)c1ccccc1,"InChI=1/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H",C7H6Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11710,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.463,CAHQGWAXKLQREW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.464,202-710-8,98-88-4,Benzoyl chloride,benzoyl chloride,ClC(=O)c1ccccc1,ClC(=O)c1ccccc1,InChI=1/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H,C7H5ClO,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13134,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.464,PASDCCFISLVPSO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.293,203-621-7,108-84-9,"1,3-dimethylbutyl acetate","1,3-dimethylbutyl acetate",CC(C)CC(C)OC(=O)C,CC(C)CC(C)OC(=O)C,"InChI=1/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3",C8H16O2,,,,,,CPIVYSAVIPTCCX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.294,203-622-2,108-85-0,Bromocyclohexane,bromocyclohexane,BrC1CCCCC1,BrC1CCCCC1,"InChI=1/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2",C6H11Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17906,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.294,AQNQQHJNRPDOQV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.295,203-623-8,108-86-1,Bromobenzene,bromobenzene,Brc1ccccc1,Brc1ccccc1,InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H,C6H5Br,,,,,,QARVLSVVCXYDNA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.296,203-624-3,108-87-2,Methylcyclohexane,methylcyclohexane,CC1CCCCC1,CC1CCCCC1,"InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",C7H14,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15991,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.296,UAEPNZWRGJTJPN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.298,203-626-4,108-89-4,4-methylpyridine,4-methylpyridine,Cc1ccncc1,Cc1ccncc1,"InChI=1/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3",C6H7N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18829,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.298,FKNQCJSGGFJEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.307,203-636-9,108-99-6,3-methylpyridine,3-methylpyridine,Cc1cccnc1,Cc1cccnc1,"InChI=1/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",C6H7N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2119,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.307,ITQTTZVARXURQS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.312,203-642-1,109-05-7,2-methylpiperidine,2-methylpiperidine,CC1CCCCN1,CC1CCCCN1,"InChI=1/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3",C6H13N,,,,,,NNWUEBIEOFQMSS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.314,203-644-2,109-07-9,2-methylpiperazine,2-methylpiperazine,CC1CNCCN1,CC1CNCCN1,"InChI=1/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3",C5H12N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19024,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.314,JOMNTHCQHJPVAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.317,203-647-9,109-11-5,Morpholin-3-one,morpholin-3-one,O=C1COCCN1,O=C1COCCN1,"InChI=1/C4H7NO2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)",C4H7NO2,,,,,,VSEAAEQOQBMPQF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.318,203-648-4,109-12-6,Pyrimidin-2-ylamine,pyrimidin-2-amine,Nc1ncccn1,Nc1ncccn1,"InChI=1/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)",C4H5N3,,,,,,LJXQPZWIHJMPQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.320,203-651-0,109-15-9,Octyl isobutyrate,octyl 2-methylpropanoate,CCCCCCCCOC(=O)C(C)C,CCCCCCCCOC(=O)C(C)C,"InChI=1/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3",C12H24O2,,,,,,PQCYCHFQWMNQRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.322,203-653-1,109-17-1,"3,6,9-trioxaundecamethylene dimethacrylate","14-methyl-13-oxo-3,6,9,12-tetraoxapentadec-14-en-1-yl methacrylate (non-preferred name)",CC(=C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C,CC(=C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C,"InChI=1/C16H26O7/c1-13(2)15(17)22-11-9-20-7-5-19-6-8-21-10-12-23-16(18)14(3)4/h1,3,5-12H2,2,4H3",C16H26O7,,,,,,LTHJXDSHSVNJKG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.323,203-654-7,109-19-3,Butyl isovalerate,butyl 3-methylbutanoate,CCCCOC(=O)CC(C)C,CCCCOC(=O)CC(C)C,"InChI=1/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3",C9H18O2,,,,,,AYWJSCLAAPJZEF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.326,203-657-3,109-23-9,"N,N'-methylenedistearamide","N,N'-methylenedioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C37H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)38-35-39-37(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3,(H,38,40)(H,39,41)",C37H74N2O2,,,,,,FTQWRYSLUYAIRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.329,203-661-5,109-28-4,N-[3-(dimethylamino)propyl]oleamide,N-[3-(dimethylamino)propyl]octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCN(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCN(C)C,"InChI=1/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)",C23H46N2O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16666,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.329,UCWYGNTYSWIDSW-QXMHVHEDSA-N,,,,,,,,,,,
100.003.330,203-662-0,109-29-5,Oxacycloheptadecan-2-one,oxacycloheptadecan-2-one,O=C1CCCCCCCCCCCCCCCO1,O=C1CCCCCCCCCCCCCCCO1,InChI=1/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2,C16H30O2,,,,,,LOKPJYNMYCVCRM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.336,203-668-3,109-38-6,2-butoxyethyl stearate,2-butoxyethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCCCC,"InChI=1/C24H48O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h3-23H2,1-2H3",C24H48O3,,,,,,NHUXFMNHQIITCP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.942,204-336-0,119-60-8,Dicyclohexyl ketone,dicyclohexylmethanone,O=C(C1CCCCC1)C2CCCCC2,O=C(C1CCCCC1)C2CCCCC2,"InChI=1/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2",C13H22O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8117,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.942,TWXWPPKDQOWNSX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.948,204-342-3,119-67-5,Phthalaldehydic acid,2-formylbenzoic acid,OC(=O)c1ccccc1C=O,OC(=O)c1ccccc1C=O,"InChI=1/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)",C8H6O3,,,,,,DYNFCHNNOHNJFG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.952,204-347-0,119-74-4,"5-amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulphophenyl]vinyl]benzenesulphonic acid","5-amino-2-{2-[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-sulfophenyl]vinyl}benzenesulfonic acid",CC1=NN(C(=O)C1)c2ccc(\\C=C\\c3ccc(N)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O,CC1=NN(C(=O)C1)c2ccc(\C=C\c3ccc(N)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O,"InChI=1/C18H17N3O7S2/c1-11-8-18(22)21(20-11)15-7-5-13(17(10-15)30(26,27)28)3-2-12-4-6-14(19)9-16(12)29(23,24)25/h2-7,9-10H,8,19H2,1H3,(H,23,24,25)(H,26,27,28)",C18H17N3O7S2,,,,,,OQZZKKAUSICVQC-NSCUHMNNSA-N,,,,,,,,,,,
100.003.955,204-350-7,119-77-7,7-(4-aminobenzamido)-4-hydroxynaphthalene-2-sulphonic acid,7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid,Nc1ccc(cc1)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O,Nc1ccc(cc1)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O,"InChI=1/C17H14N2O5S/c18-12-3-1-10(2-4-12)17(21)19-13-5-6-15-11(7-13)8-14(9-16(15)20)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)",C17H14N2O5S,,,,,,BRIUJVAXLMLKPY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.959,204-354-9,119-84-6,"3,4-dihydrocoumarin",chroman-2-one,O=C1CCc2ccccc2O1,O=C1CCc2ccccc2O1,"InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",C9H8O2,,,,,,VMUXSMXIQBNMGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.967,204-363-8,120-00-3,"4'-amino-2',5'-diethoxybenzanilide","N-(4-amino-2,5-diethoxyphenyl)benzamide",CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N,CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N,"InChI=1/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)",C17H20N2O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11881,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.967,CNXZLZNEIYFZGU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.616,203-977-3,112-49-2,"1,2-bis(2-methoxyethoxy)ethane","2,5,8,11-tetraoxadodecane",COCCOCCOCCOC,COCCOCCOCCOC,"InChI=1/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3",C8H18O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10247,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.616,YFNKIDBQEZZDLK-UHFFFAOYSA-N,Positive,SM867901,[M+H]+,HCD35,59.0493:103.0754:89.0597,CASMI_2016,,,,,
100.003.620,203-982-0,112-53-8,Dodecan-1-ol,dodecan-1-ol,CCCCCCCCCCCCO,CCCCCCCCCCCCO,"InChI=1/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",C12H26O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15424,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.620,LQZZUXJYWNFBMV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.623,203-985-7,112-56-1,2-(2-butoxyethoxy)ethyl thiocyanate,2-(2-butoxyethoxy)ethyl thiocyanate,CCCCOCCOCCSC#N,CCCCOCCOCCSC#N,"InChI=1/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3",C9H17NO2S,,,,,,JVGPVVUTUMQJKL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.624,203-986-2,112-57-2,"3,6,9-triazaundecamethylenediamine","N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine",NCCNCCNCCNCCN,NCCNCCNCCNCCN,"InChI=1/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2",C8H23N5,,,,,,FAGUFWYHJQFNRV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.628,203-990-4,112-61-8,Methyl stearate,methyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3",C19H38O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2147,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.628,HPEUJPJOZXNMSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.632,203-995-1,112-66-3,Dodecyl acetate,dodecyl acetate,CCCCCCCCCCCCOC(=O)C,CCCCCCCCCCCCOC(=O)C,"InChI=1/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3",C14H28O2,,,,,,VZWGRQBCURJOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.639,204-002-4,112-75-4,Dimethyl(tetradecyl)amine,"N,N-dimethyltetradecan-1-amine",CCCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCN(C)C,"InChI=1/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h4-16H2,1-3H3",C16H35N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14714,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.639,SFBHPFQSSDCYSL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.643,204-007-1,112-80-1,Oleic acid,octadec-9-enoic acid,CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)",C18H34O2,,,,,,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,,,,,,,,,,,
100.003.655,204-020-2,112-99-2,Dioctadecylamine,N-octadecyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC,"InChI=1/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3",C36H75N,,,,,,HKUFIYBZNQSHQS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.658,204-023-9,113-15-5,Ergotamine,"5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman",CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O,CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O,"InChI=1/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)",C33H35N5O5,,,,,,XCGSFFUVFURLIX-VFGNJEKYSA-N,,,,,,,,,,,
100.003.659,204-024-4,113-24-6,Sodium pyruvate,sodium 2-oxopropanoate,[Na+].CC(=O)C(=O)[O-],[Na+].CC(=O)C(=O)[O-],"InChI=1/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1",C3H4O3.Na,,,,,,DAEPDZWVDSPTHF-UHFFFAOYSA-M,,,,,,,,,,,
100.005.964,206-559-9,354-38-1,"2,2,2-trifluoroacetamide","2,2,2-trifluoroacetamide",NC(=O)C(F)(F)F,NC(=O)C(F)(F)F,"InChI=1/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7)",C2H2F3NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12379,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.964,NRKYWOKHZRQRJR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.970,206-566-7,354-64-3,Pentafluoroiodoethane,"1,1,1,2,2-pentafluoro-2-iodoethane",FC(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)I,"InChI=1/C2F5I/c3-1(4,5)2(6,7)8",C2F5I,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12114,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.970,UXPOJVLZTPGWFX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.975,206-571-4,354-92-7,"1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane","1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C4F10/c5-1(2(6,7)8,3(9,10)11)4(12,13)14",C4F10,,,,,,COQIQRBKEGPRSG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.976,206-573-5,355-02-2,Perfluoro(methylcyclohexane),undecafluoro(trifluoromethyl)cyclohexane,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12",C7F14,,,,,,QIROQPWSJUXOJC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.977,206-574-0,355-03-3,Undecafluorocyclohexanesulphonyl fluoride,undecafluorocyclohexanesulfonyl fluoride,FC1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C1(F)F)S(=O)(=O)F,FC1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C1(F)F)S(=O)(=O)F,"InChI=1/C6F12O2S/c7-1(8)2(9,10)4(13,14)6(17,21(18,19)20)5(15,16)3(1,11)12",C6F12O2S,,,,,,SUYQQGZHVVTMNY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.981,206-578-2,355-20-4,"2,3-dichlorooctafluorobutane","2,3-dichloro-1,1,1,2,3,4,4,4-octafluorobutane",FC(F)(F)C(F)(Cl)C(F)(Cl)C(F)(F)F,FC(F)(F)C(F)(Cl)C(F)(Cl)C(F)(F)F,"InChI=1/C4Cl2F8/c5-1(7,3(9,10)11)2(6,8)4(12,13)14",C4Cl2F8,,,,,,LXANZHXWGZWFAC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.741,205-215-5,135-71-7,"Disodium 4',4'''-azobis[1,1'-biphenyl]-4-carboxylate","disodium 4',4''-diazene-1,2-diyldibiphenyl-4-carboxylate",[Na+].[Na+].[O-]C(=O)c1ccc(cc1)c4ccc(N=Nc2ccc(cc2)c3ccc(cc3)C([O-])=O)cc4,[Na+].[Na+].[O-]C(=O)c1ccc(cc1)c4ccc(N=Nc2ccc(cc2)c3ccc(cc3)C([O-])=O)cc4,"InChI=1/C26H18N2O4.2Na/c29-25(30)21-5-1-17(2-6-21)19-9-13-23(14-10-19)27-28-24-15-11-20(12-16-24)18-3-7-22(8-4-18)26(31)32;;/h1-16H,(H,29,30)(H,31,32);;/q;2*+1/p-2",C26H18N2O4.2Na,,,,,,HRBWETPTZZACJP-UHFFFAOYSA-L,,,,,,,,,,,
100.004.745,205-219-7,135-77-3,"1,2,4-trimethoxybenzene","1,2,4-trimethoxybenzene",COc1ccc(OC)c(OC)c1,COc1ccc(OC)c(OC)c1,"InChI=1/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3",C9H12O3,,,,,,AGIQIOSHSMJYJP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.748,205-222-3,135-87-5,"1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidinium chloride","1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)piperidinium chloride",[Cl-].C(C1COc2ccccc2O1)[NH+]3CCCCC3,[Cl-].C(C1COc2ccccc2O1)[NH+]3CCCCC3,"InChI=1/C14H19NO2.ClH/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12;/h2-3,6-7,12H,1,4-5,8-11H2;1H",C14H19NO2.ClH,,,,,,BITRJBQGQMGGQI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.750,205-224-4,135-91-1,"4,4'-methylenebis[N,N-diethylaniline]","4,4'-methylenebis(N,N-diethylaniline)",CCN(CC)c1ccc(Cc2ccc(cc2)N(CC)CC)cc1,CCN(CC)c1ccc(Cc2ccc(cc2)N(CC)CC)cc1,"InChI=1/C21H30N2/c1-5-22(6-2)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)23(7-3)8-4/h9-16H,5-8,17H2,1-4H3",C21H30N2,,,,,,MIERBLCDXYWVTF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.753,205-228-6,136-01-6,Sodium cyclohexanecarboxylate,sodium cyclohexanecarboxylate,[Na+].[O-]C(=O)C1CCCCC1,[Na+].[O-]C(=O)C1CCCCC1,"InChI=1/C7H12O2.Na/c8-7(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);/q;+1/p-1",C7H12O2.Na,,,,,,XTIVBOWLUYDHKE-UHFFFAOYSA-M,,,,,,,,,,,
100.004.756,205-231-2,136-21-0,"4-(2,4-xylylazo)-2,5-xylidine","4-[(2,4-dimethylphenyl)diazenyl]-2,5-dimethylaniline",Cc1ccc(N=Nc2cc(C)c(N)cc2C)c(C)c1,Cc1ccc(N=Nc2cc(C)c(N)cc2C)c(C)c1,"InChI=1/C16H19N3/c1-10-5-6-15(12(3)7-10)18-19-16-9-11(2)14(17)8-13(16)4/h5-9H,17H2,1-4H3",C16H19N3,,,,,,HGBRQTVTZZIIAW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.759,205-234-9,136-26-5,"N,N-bis(2-hydroxyethyl)decan-1-amide","N,N-bis(2-hydroxyethyl)decanamide",CCCCCCCCCC(=O)N(CCO)CCO,CCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C14H29NO3/c1-2-3-4-5-6-7-8-9-14(18)15(10-12-16)11-13-17/h16-17H,2-13H2,1H3",C14H29NO3,,,,,,BPXGKRUSMCVZAF-UHFFFAOYSA-N,Positive,LIT00009,,,106:242:260,Literature_Specs,,,,,
100.004.760,205-235-4,136-28-7,[3-(5-chloro-2-methylphenyl)-1-methyltriazen-2-yl]acetic acid,[3-(5-chloro-2-methylphenyl)-1-methyltriaz-2-en-1-yl]acetic acid,CN(CC(=O)O)N=Nc1cc(Cl)ccc1C,CN(CC(=O)O)N=Nc1cc(Cl)ccc1C,"InChI=1/C10H12ClN3O2/c1-7-3-4-8(11)5-9(7)12-13-14(2)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)",C10H12ClN3O2,,,,,,OKZLBAQJYTZVCX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.770,205-246-4,136-46-9,2-(diethylamino)ethyl 4-ethoxybenzoate hydrochloride,2-(diethylamino)ethyl 4-ethoxybenzoate hydrochloride,Cl.CCOc1ccc(cc1)C(=O)OCCN(CC)CC,Cl.CCOc1ccc(cc1)C(=O)OCCN(CC)CC,"InChI=1/C15H23NO3.ClH/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3;/h7-10H,4-6,11-12H2,1-3H3;1H",C15H23NO3.ClH,,,,,,SFLZPZAKIKUJKP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.771,205-248-5,136-47-0,Tetracaine hydrochloride,2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride,Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C,Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C,"InChI=1/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H",C15H24N2O2.ClH,,,,,,PPWHTZKZQNXVAE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.720,204-092-5,115-46-8,Azacyclonol,diphenyl(piperidin-4-yl)methanol,OC(C1CCNCC1)(c2ccccc2)c3ccccc3,OC(C1CCNCC1)(c2ccccc2)c3ccccc3,"InChI=1/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2",C18H21NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5946,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.720,ZMISODWVFHHWNR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.723,204-095-1,115-56-0,"5-ethyldihydro-5-(2-methylallyl)-2-thioxo-1H,5H-pyrimidine-4,6-dione","5-ethyl-5-(2-methylprop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCC1(CC(=C)C)C(=O)NC(=S)NC1=O,CCC1(CC(=C)C)C(=O)NC(=S)NC1=O,"InChI=1/C10H14N2O2S/c1-4-10(5-6(2)3)7(13)11-9(15)12-8(10)14/h2,4-5H2,1,3H3,(H2,11,12,13,14,15)",C10H14N2O2S,,,,,,XMQICEWOKPEQRG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.724,204-096-7,115-61-7,"(6E,22E)-(3R)-9,10-secoergosta-5(10),6,8,22-tetraen-3-ol","9,10-secoergosta-5(10),6,8,22-tetraen-3-ol",O[C@H]3C/C(C=C\\C2=C\\CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)/C=C/[C@H](C)C(C)C)=C(/C)CC3,O[C@H]3C/C(C=C\C2=C\CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)/C=C/[C@H](C)C(C)C)=C(/C)CC3,"InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h8-10,12-13,19-20,22,25-27,29H,7,11,14-18H2,1-6H3",C28H44O,,,,,,XQFJZHAVTPYDIQ-KGUMUBLBSA-N,,,,,,,,,,,
100.003.727,204-099-3,115-68-4,Sulfadicramide,N-[(4-aminophenyl)sulfonyl]-3-methylbut-2-enamide,CC(=CC(=O)NS(=O)(=O)c1ccc(N)cc1)C,CC(=CC(=O)NS(=O)(=O)c1ccc(N)cc1)C,"InChI=1/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14)",C11H14N2O3S,,,,,,XRVJPLDTMUSSDE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.730,204-102-8,115-71-9,"5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer","5-(2,3-dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methylpent-2-en-1-ol",CC(=CCCC1(C)C2CC3C(C2)C13C)CO,CC(=CCCC1(C)C2CC3C(C2)C13C)CO,"InChI=1/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3",C15H24O,,,,,,PDEQKAVEYSOLJX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.735,204-108-0,115-80-0,Triethyl orthopropionate,"1,1,1-triethoxypropane",CCOC(CC)(OCC)OCC,CCOC(CC)(OCC)OCC,"InChI=1/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3",C9H20O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18783,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.735,FGWYWKIOMUZSQF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.739,204-112-2,115-86-6,Triphenyl phosphate,triphenyl phosphate,O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,"InChI=1/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H",C18H15O4P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15972,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.739,XZZNDPSIHUTMOC-UHFFFAOYSA-N,Positive/Negative,SM879502;EQ363801|EQ363802|EQ363803|EQ363804|EQ363805|EQ363806|EQ363807|EQ363808|EQ363809;UF417501|UF417502|UF417503|UF417504,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD55|HCD80|CID35|CID55,327.0782:233.0363:152.0621;327.0781:77.0388:152.0624|327.0781:233.0364:153.07|233.0364:153.0699:251.0469|152.0621:95.0492:153.0699|152.0621:95.0492:77.0386|152.0621:95.0492:77.0385|152.0621:77.0386:95.0492|50.0152:51.023:152.0622|50.0152:51.023:150.0466;251.0477:153.0704:152.0625|152.0626:77.0388:168.0576|233.0373:215.0267:229.1023|215.0266:233.0371:251.0479,CASMI_2016;Eawag;UFZ,UF417551|UF417552|UF417553|UF417554,[M-H]-,HCD55|HCD80|CID35|CID55,325.0636|325.0631|169.066:183.0121:231.0219|169.0659:183.0121:231.0215,UFZ
100.003.741,204-114-3,115-90-2,Fensulfothion,"O,O-diethyl O-[4-(methylsulfinyl)phenyl] thiophosphate",CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C,CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C,"InChI=1/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3",C11H17O4PS2,,,,,,XDNBJTQLKCIJBV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.745,204-119-0,115-98-0,Bis(2-chloroethyl) vinylphosphonate,bis(2-chloroethyl) vinylphosphonate,ClCCOP(=O)(OCCCl)C=C,ClCCOP(=O)(OCCCl)C=C,"InChI=1/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2",C6H11Cl2O3P,,,,,,LHHMNJZNWUJFOC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.748,204-122-7,116-02-9,"3,3,5-trimethylcyclohexanol","3,3,5-trimethylcyclohexanol",CC1CC(O)CC(C)(C)C1,CC1CC(O)CC(C)(C)C1,"InChI=1/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3",C9H18O,,,,,,BRRVXFOKWJKTGG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.749,204-123-2,116-06-3,Aldicarb,aldicarb,CC(C)(C=NOC(=O)NC)SC,CC(C)(C=NOC(=O)NC)SC,"InChI=1/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)",C7H14N2O2S,,,,,,QGLZXHRNAYXIBU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.753,204-127-4,116-15-4,Hexafluoropropene,"1,1,2,3,3,3-hexafluoroprop-1-ene",FC(=C(F)C(F)(F)F)F,FC(=C(F)C(F)(F)F)F,"InChI=1/C3F6/c4-1(2(5)6)3(7,8)9",C3F6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15192,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.753,HCDGVLDPFQMKDK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.755,204-130-0,116-17-6,Triisopropyl phosphite,triisopropyl phosphite,CC(C)OP(OC(C)C)OC(C)C,CC(C)OP(OC(C)C)OC(C)C,"InChI=1/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3",C9H21O3P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10512,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.755,SJHCUXCOGGKFAI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.758,204-133-7,116-26-7,"2,3-dihydro-2,2,6-trimethylbenzaldehyde","2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde",CC1=C(C=O)C(C)(C)CC=C1,CC1=C(C=O)C(C)(C)CC=C1,"InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3",C10H14O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17302,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.758,SGAWOGXMMPSZPB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.760,204-135-8,116-31-4,Retinaldehyde,retinal,C\\C(=C/C=O)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C,C\C(=C/C=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3",C20H28O,,,,,,NCYCYZXNIZJOKI-OVSJKPMPSA-N,,,,,,,,,,,
100.003.763,204-138-4,116-38-1,Edrophonium chloride,"N-ethyl-3-hydroxy-N,N-dimethylanilinium chloride",[Cl-].CC[N+](C)(C)c1cccc(O)c1,[Cl-].CC[N+](C)(C)c1cccc(O)c1,"InChI=1/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H",C10H16NO.Cl,,,,,,BXKDSDJJOVIHMX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.764,204-140-5,116-42-7,Sulfaproxyline,N-[(4-aminophenyl)sulfonyl]-4-isopropoxybenzamide,CC(C)Oc1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(N)cc2,CC(C)Oc1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(N)cc2,"InChI=1/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19)",C16H18N2O4S,,,,,,FBFBRAFXKGRRHI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.337,203-669-9,109-39-7,2-butoxyethyl oleate,2-butoxyethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCOCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCOCCCC,"InChI=1/C24H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h12-13H,3-11,14-23H2,1-2H3",C24H46O3,,,,,,LBUOSVPOVIEPLJ-SEYXRHQNSA-N,,,,,,,,,,,
100.003.340,203-673-0,109-44-4,Bis(2-ethoxyethyl) adipate,bis(2-ethoxyethyl) adipate,CCOCCOC(=O)CCCCC(=O)OCCOCC,CCOCCOC(=O)CCCCC(=O)OCCOCC,"InChI=1/C14H26O6/c1-3-17-9-11-19-13(15)7-5-6-8-14(16)20-12-10-18-4-2/h3-12H2,1-2H3",C14H26O6,,,,,,NJEMMCIKSMMBDM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.343,203-676-7,109-50-2,Hex-3-yn-2-ol,hex-3-yn-2-ol,CCC#CC(C)O,CCC#CC(C)O,"InChI=1/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3",C6H10O,,,,,,IFCAMPHNVKBSTF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.345,203-678-8,109-53-5,Isobutyl vinyl ether,2-methyl-1-(vinyloxy)propane,CC(C)COC=C,CC(C)COC=C,"InChI=1/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3",C6H12O,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2053,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.345,OZCMOJQQLBXBKI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.963,202-158-8,92-48-8,6-methylcoumarin,6-methyl-2H-chromen-2-one,Cc1ccc2OC(=O)C=Cc2c1,Cc1ccc2OC(=O)C=Cc2c1,"InChI=1/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3",C10H8O2,,,,,,FXFYOPQLGGEACP-UHFFFAOYSA-N,,,,,,,,,,,
100.001.965,202-160-9,92-50-2,2-(N-ethylanilino)ethanol,2-[ethyl(phenyl)amino]ethanol,CCN(CCO)c1ccccc1,CCN(CCO)c1ccccc1,"InChI=1/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3",C10H15NO,,,,,,HYVGFUIWHXLVNV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.972,202-168-2,92-57-9,4-[benzyl(ethyl)amino]benzenediazonium chloride,4-[benzyl(ethyl)amino]benzenediazonium chloride,[Cl-].CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N,[Cl-].CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N,"InChI=1/C15H16N3.ClH/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;/h3-11H,2,12H2,1H3;1H/q+1;/p-1",C15H16N3.Cl,,,,,,QIVQPCFUDIRQRH-UHFFFAOYSA-M,,,,,,,,,,,
100.001.981,202-178-7,92-68-2,"[1,1'-bicyclohexyl]-4-one","1,1'-bi(cyclohexyl)-4-one",O=C1CCC(CC1)C2CCCCC2,O=C1CCC(CC1)C2CCCCC2,"InChI=1/C12H20O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-11H,1-9H2",C12H20O,,,,,,JLYNSPSTPQAEAX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.984,202-181-3,92-71-7,"2,5-diphenyloxazole","2,5-diphenyl-1,3-oxazole",o1c(cnc1c2ccccc2)c3ccccc3,o1c(cnc1c2ccccc2)c3ccccc3,InChI=1/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H,C15H11NO,,,,,,CNRNYORZJGVOSY-UHFFFAOYSA-N,,,,,,,,,,,
100.001.986,202-183-4,92-73-9,"3-hydroxy-2',5'-dimethoxynaphthanilide","N-(2,5-dimethoxyphenyl)-3-hydroxy-2-naphthamide",COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2O)c1,COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2O)c1,"InChI=1/C19H17NO4/c1-23-14-7-8-18(24-2)16(11-14)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)",C19H17NO4,,,,,,LAKNSQZHAUYJJM-UHFFFAOYSA-N,,,,,,,,,,,
100.001.997,202-196-5,92-84-2,Phenothiazine,10H-phenothiazine,N1c2ccccc2Sc3ccccc13,N1c2ccccc2Sc3ccccc13,"InChI=1/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H",C12H9NS,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14459,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.997,WJFKNYWRSNBZNX-UHFFFAOYSA-N,,,,,,,,,,,
100.001.998,202-197-0,92-85-3,Thianthrene,thianthrene,S1c2ccccc2Sc3ccccc13,S1c2ccccc2Sc3ccccc13,InChI=1/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H,C12H8S2,,,,,,GVIJJXMXTUZIOD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.000,202-199-1,92-87-5,Benzidine,"biphenyl-4,4'-diamine",Nc1ccc(cc1)c2ccc(N)cc2,Nc1ccc(cc1)c2ccc(N)cc2,"InChI=1/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2",C12H12N2,,,,,,HFACYLZERDEVSX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.001,202-200-5,92-88-6,"Biphenyl-4,4'-diol","biphenyl-4,4'-diol",Oc1ccc(cc1)c2ccc(O)cc2,Oc1ccc(cc1)c2ccc(O)cc2,"InChI=1/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H",C12H10O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15910,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.001,VCCBEIPGXKNHFW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.015,202-215-7,93-07-2,Veratric acid,"3,4-dimethoxybenzoic acid",COc1ccc(cc1OC)C(=O)O,COc1ccc(cc1OC)C(=O)O,"InChI=1/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)",C9H10O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6514,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.015,DAUAQNGYDSHRET-UHFFFAOYSA-N,,,,,,,,,,,
100.002.017,202-217-8,93-09-4,2-naphthoic acid,2-naphthoic acid,OC(=O)c1ccc2ccccc2c1,OC(=O)c1ccc2ccccc2c1,"InChI=1/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)",C11H8O2,,,,,,UOBYKYZJUGYBDK-UHFFFAOYSA-N,Positive/Negative,UA004801|UA004803,[M+H]+,CID35|CID35,145.0647:155.0603:117.0698|129.0697:155.0488:145.0647,UFZ_Additional_Specs,UA004802|UA004804,[M-H]-,CID35|CID35,143.0503:171.0448|127.0556,UFZ_Additional_Specs
100.002.024,202-225-1,93-17-4,"3,4-dimethoxyphenylacetonitrile","(3,4-dimethoxyphenyl)acetonitrile",COc1ccc(CC#N)cc1OC,COc1ccc(CC#N)cc1OC,"InChI=1/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3",C10H11NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7942,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.024,ASLSUMISAQDOOB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.025,202-226-7,93-18-5,Ethyl 2-naphthyl ether,2-ethoxynaphthalene,CCOc1ccc2ccccc2c1,CCOc1ccc2ccccc2c1,"InChI=1/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3",C12H12O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18776,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.025,GUMOJENFFHZAFP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.666,204-032-8,113-59-7,Chlorprothixene,"3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine",CN(C)CCC=C1c3ccccc3Sc2ccc(Cl)cc12,CN(C)CCC=C1c3ccccc3Sc2ccc(Cl)cc12,"InChI=1/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3",C18H18ClNS,,,,,,WSPOMRSOLSGNFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.667,204-033-3,113-69-9,"3-carbamoyl-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,11-dimethoxy-2H-benzo[a]quinolizin-2-yl acetate hydrochloride",-,Cl.CCN12(CC)CCc3cc(OC)cc(OC)c3C1CC(OC(=O)C)C(C2)C(=O)N,Cl.CCN12(CC)CCc3cc(OC)cc(OC)c3C1CC(OC(=O)C)C(C2)C(=O)N,"InChI=1/C22H34N2O5.ClH/c1-6-24(7-2)9-8-15-10-16(27-4)11-20(28-5)21(15)18(24)12-19(29-14(3)25)17(13-24)22(23)26;/h10-11,17-19H,6-9,12-13H2,1-5H3,(H2,23,26);1H",C22H32N2O5.ClH,,,,,,GMSVDEQQXLBNOF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.673,204-040-1,114-07-8,Erythromycin,"6-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name)",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3",C37H67NO13,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8304,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.673,ULGZDMOVFRHVEP-RWJQBGPGSA-N,Positive/Negative,mzcloud:2533,[M+H]+,HCD_Averaged,576.3742:158.11759:98.09643:83.04914:72.08078:55.05423,HighChem,mzcloud:2533,[M-H]-,HCD_Averaged,267.16018:442.2801:618.3859:556.3487:381.2283:223.17035:174.11357:85.02950:129.05572:99.04515:84.02168,HighChem
100.003.674,204-041-7,114-21-6,Sodium mandelate,sodium hydroxy(phenyl)acetate,[Na+].OC(C(=O)[O-])c1ccccc1,[Na+].OC(C(=O)[O-])c1ccccc1,"InChI=1/C8H8O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);/q;+1/p-1",C8H8O3.Na,,,,,,FWDLHTBMGQEUDU-UHFFFAOYSA-M,,,,,,,,,,,
100.003.686,204-054-8,114-80-7,Neostigmine bromide,"3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide",[Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C,[Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C,"InChI=1/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1",C12H19N2O2.Br,,,,,,LULNWZDBKTWDGK-UHFFFAOYSA-M,,,,,,,,,,,
100.003.689,204-057-4,114-86-3,Phenformin,N-(2-phenylethyl)imidodicarbonimidic diamide,NC(=N)NC(=N)NCCc1ccccc1,NC(=N)NC(=N)NCCc1ccccc1,"InChI=1/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)",C10H15N5,,,,,,ICFJFFQQTFMIBG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.690,204-059-5,114-90-9,Obidoxime chloride,"1,1'-[oxybis(methylene)]bis{4-[(hydroxyimino)methyl]pyridinium} dichloride",[Cl-].[Cl-].ON=Cc2cc[n+](COC[n+]1ccc(C=NO)cc1)cc2,[Cl-].[Cl-].ON=Cc2cc[n+](COC[n+]1ccc(C=NO)cc1)cc2,"InChI=1/C14H14N4O3.2ClH/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20;;/h1-10H,11-12H2;2*1H",C14H16N4O3.2Cl,,,,,,ZIFJVJZWVSPZLE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.692,204-061-6,115-02-6,Azaserine,O-(diazoacetyl)-L-serine,N[C@@H](COC(=O)C=[N+]=[N-])C(=O)O,N[C@@H](COC(=O)C=[N+]=[N-])C(=O)O,"InChI=1/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)",C5H7N3O4,,,,,,MZZGOOYMKKIOOX-VKHMYHEASA-N,,,,,,,,,,,
100.003.694,204-063-7,115-08-2,Thioformamide,thioformamide,NC=S,NC=S,"InChI=1/CH3NS/c2-1-3/h1H,(H2,2,3)",CH3NS,,,,,,CYEBJEDOHLIWNP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.698,204-067-9,115-17-3,Tribromoacetaldehyde,tribromoacetaldehyde,BrC(Br)(Br)C=O,BrC(Br)(Br)C=O,"InChI=1/C2HBr3O/c3-2(4,5)1-6/h1H",C2HBr3O,,,,,,YTGSYRVSBPFKMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.703,204-073-1,115-22-0,3-hydroxy-3-ethylbutanone,3-hydroxy-3-methylpentan-2-one,CC(=O)C(C)(O)CC,CC(=O)C(C)(O)CC,"InChI=1/C6H12O2/c1-4-6(3,8)5(2)7/h8H,4H2,1-3H3",C5H10O2,,,,,,KHCUSEDRQWYNDS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.710,204-081-5,115-31-1,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl thiocyanatoacetate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl thiocyanatoacetate",CC1(C)C2CCC1(C)C(C2)OC(=O)CSC#N,CC1(C)C2CCC1(C)C(C2)OC(=O)CSC#N,"InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3",C13H19NO2S,,,,,,IXEVGHXRXDBAOB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.715,204-086-2,115-39-9,Tetrabromophenol blue,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromophenol)",Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,"InChI=1/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H",C19H10Br4O5S,,,,,,UDSAIICHUKSCKT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.716,204-087-8,115-40-2,Bromocresol purple,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-methylphenol)",Cc1cc(cc(Br)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(Br)c4,Cc1cc(cc(Br)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(Br)c4,"InChI=1/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3",C21H16Br2O5S,,,,,,ABIUHPWEYMSGSR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.774,205-251-1,136-53-8,Zinc bis(2-ethylhexanoate),zinc bis(2-ethylhexanoate),[Zn+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Zn+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14460,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.774,IFNXAMCERSVZCV-UHFFFAOYSA-L,,,,,,,,,,,
100.004.775,205-252-7,136-60-7,Butyl benzoate,butyl benzoate,CCCCOC(=O)c1ccccc1,CCCCOC(=O)c1ccccc1,"InChI=1/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C11H14O2,,,,,,XSIFPSYPOVKYCO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.781,205-259-5,"136-78-7, 149-26-8",Disul,"2-(2,4-dichlorophenoxy)ethyl hydrogen sulfate",OS(=O)(=O)OCCOc1ccc(Cl)cc1Cl,OS(=O)(=O)OCCOc1ccc(Cl)cc1Cl,"InChI=1/C8H8Cl2O5S/c9-6-1-2-8(7(10)5-6)14-3-4-15-16(11,12)13/h1-2,5H,3-4H2,(H,11,12,13)",C8H8Cl2O5S.Na,,,,,,HJEINPVZRDJRBY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.482,206-029-7,291-21-4,"1,3,5-trithiane","1,3,5-trithiane",C1SCSCS1,C1SCSCS1,InChI=1/C3H6S3/c1-4-2-6-3-5-1/h1-3H2,C3H6S3,,,,,,LORRLQMLLQLPSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.485,206-032-3,293-96-9,Cyclodecane,cyclodecane,C1CCCCCCCCC1,C1CCCCCCCCC1,InChI=1/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2,C10H20,,,,,,LMGZGXSXHCMSAA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.486,206-033-9,294-62-2,Cyclododecane,cyclododecane,C1CCCCCCCCCCC1,C1CCCCCCCCCCC1,InChI=1/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2,C12H24,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2097,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.486,DDTBPAQBQHZRDW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.491,206-039-1,295-37-4,"1,4,8,11-tetraazacyclotetradecane","1,4,8,11-tetraazacyclotetradecane",C1CNCCNCCCNCCNC1,C1CNCCNCCCNCCNC1,"InChI=1/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2",C10H24N4,,,,,,MDAXKAUIABOHTD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.492,206-040-7,295-48-7,Decylcyclopentane,decylcyclopentane,CCCCCCCCCCC1CCCC1,CCCCCCCCCCC1CCCC1,"InChI=1/C15H30/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15/h15H,2-14H2,1H3",C15H30,,,,,,WOUVLFFZQCUYOL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.498,206-047-5,297-83-6,"3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis[6-hydroxybenzenesulphonic] acid","3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonic acid)",Oc1ccc(cc1S(=O)(=O)O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S(=O)(=O)O,Oc1ccc(cc1S(=O)(=O)O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S(=O)(=O)O,"InChI=1/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)",C20H10Br4O10S2,,,,,,OHTXTCNTQJFRIG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.501,206-050-1,298-00-0,Parathion-methyl,"O,O-dimethyl O-(4-nitrophenyl) thiophosphate",COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-],COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3",C8H10NO5PS,,,,,,RLBIQVVOMOPOHC-UHFFFAOYSA-N,Positive,SM848103,[M+H]+,HCD35,264.0092:142.9927:249.9936,CASMI_2016,,,,,
100.005.502,206-051-7,298-01-1,Methyl 3-[(dimethoxyphosphinyl)oxy]crotonate,methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate,COC(=O)\\C=C(\\C)/OP(=O)(OC)OC,COC(=O)\C=C(\C)/OP(=O)(OC)OC,"InChI=1/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3",C7H13O6P,,,,,,GEPDYQSQVLXLEU-WAYWQWQTSA-N,,,,,,,,,,,
100.005.503,206-052-2,298-02-2,Phorate,"O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate",CCOP(=S)(OCC)SCSCC,CCOP(=S)(OCC)SCSCC,"InChI=1/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3",C7H17O2PS3,,,,,,BULVZWIRKLYCBC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.522,206-073-7,299-26-3,DL-3-(2-aminopropyl)indole,1-(1H-indol-3-yl)propan-2-amine,CC(N)Cc1c[nH]c2ccccc12,CC(N)Cc1c[nH]c2ccccc12,"InChI=1/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3",C11H14N2,,,,,,QSQQQURBVYWZKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.526,206-077-9,299-35-4,3-(4-amino-2-methylpyrimidin-5-ylmethyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3H)-thione,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2(3H)-thione",CC1=C(CCO)SC(=S)N1Cc2cnc(C)nc2N,CC1=C(CCO)SC(=S)N1Cc2cnc(C)nc2N,"InChI=1/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)",C12H16N4OS2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1276,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.526,SQOCQQPFEFRKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.534,206-086-8,300-01-6,Disodium 2-oxosuccinate,disodium 2-oxosuccinate,[Na+].[Na+].[O-]C(=O)CC(=O)C(=O)[O-],[Na+].[Na+].[O-]C(=O)CC(=O)C(=O)[O-],"InChI=1/C4H4O5.2Na/c5-2(4(8)9)1-3(6)7;;/h1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C4H4O5.2Na,,,,,,ZNIQEYASWPYCBW-UHFFFAOYSA-L,,,,,,,,,,,
100.006.035,206-637-2,360-64-5,o-(trifluoromethyl)benzamide,2-(trifluoromethyl)benzamide,NC(=O)c1ccccc1C(F)(F)F,NC(=O)c1ccccc1C(F)(F)F,"InChI=1/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)",C8H6F3NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13262,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.035,QBAYIBZITZBSFO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.769,204-145-2,116-53-0,2-methylbutyric acid,2-methylbutanoic acid,CCC(C)C(=O)O,CCC(C)C(=O)O,"InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",C5H10O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6988,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.769,WLAMNBDJUVNPJU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.776,204-153-6,116-72-3,"2,2'-[(9,10-dihydro-2,4-dinitro-9,10-dioxo-1,5-anthracenediyl)diimino]bis(2-oxoacetic) acid","2,2'-[(2,4-dinitro-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]bis(oxoacetic acid)",OC(=O)C(=O)Nc1cccc2C(=O)c3c(NC(=O)C(=O)O)c(cc(c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],OC(=O)C(=O)Nc1cccc2C(=O)c3c(NC(=O)C(=O)O)c(cc(c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H8N4O12/c23-13-5-2-1-3-6(19-15(25)17(27)28)9(5)14(24)10-7(21(31)32)4-8(22(33)34)12(11(10)13)20-16(26)18(29)30/h1-4H,(H,19,25)(H,20,26)(H,27,28)(H,29,30)",C18H8N4O12,,,,,,BYLDLUPWIYFEHS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.782,204-159-9,116-81-4,"1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(Br)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Br)cc1S(=O)(=O)O,"InChI=1/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)",C14H8BrNO5S,,,,,,QZZSAWGVHXXMID-UHFFFAOYSA-N,,,,,,,,,,,
100.003.784,204-162-5,116-84-7,1-amino-5-chloro-4-hydroxyanthraquinone,"1-amino-5-chloro-4-hydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(Cl)cccc3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(Cl)cccc3C(=O)c12,"InChI=1/C14H8ClNO3/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,17H,16H2",C14H8ClNO3,,,,,,QAZNDGDSNIGKLU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.788,204-166-7,116-96-1,"[3,3'-bi-7H-benz[de]anthracene]-7,7'-dione","7H,7'H-3,3'-bibenzo[de]anthracene-7,7'-dione",O=C1c2ccccc2c3ccc(c4ccc5c6ccccc6C(=O)c7cccc4c57)c8cccc1c38,O=C1c2ccccc2c3ccc(c4ccc5c6ccccc6C(=O)c7cccc4c57)c8cccc1c38,InChI=1/C34H18O2/c35-33-27-9-3-1-7-19(27)25-17-15-21(23-11-5-13-29(33)31(23)25)22-16-18-26-20-8-2-4-10-28(20)34(36)30-14-6-12-24(22)32(26)30/h1-18H,C34H18O2,,,,,,ZSNLOGRWRVNZRH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.789,204-167-2,117-03-3,"1,5-bis[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]anthraquinone","1,5-bis[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Nc4cccc5C(=O)c6c(Nc7cccc8C(=O)c9ccccc9C(=O)c78)cccc6C(=O)c45)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4cccc5C(=O)c6c(Nc7cccc8C(=O)c9ccccc9C(=O)c78)cccc6C(=O)c45)cccc13,"InChI=1/C42H22N2O6/c45-37-21-9-1-3-11-23(21)39(47)33-25(37)13-5-17-29(33)43-31-19-7-15-27-35(31)41(49)28-16-8-20-32(36(28)42(27)50)44-30-18-6-14-26-34(30)40(48)24-12-4-2-10-22(24)38(26)46/h1-20,43-44H",C42H22N2O6,,,,,,DGJRQADQCOOLLL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.795,204-174-0,117-11-3,1-amino-5-chloroanthraquinone,"1-amino-5-chloro-9,10-anthraquinone",Nc1cccc2C(=O)c3c(Cl)cccc3C(=O)c12,Nc1cccc2C(=O)c3c(Cl)cccc3C(=O)c12,"InChI=1/C14H8ClNO2/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6H,16H2",C14H8ClNO2,,,,,,QIHMGEKACAOTPE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.796,204-175-6,117-12-4,"1,5-dihydroxyanthraquinone","1,5-dihydroxy-9,10-anthraquinone",Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12,Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12,"InChI=1/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H",C14H8O4,,,,,,JPICKYUTICNNNJ-UHFFFAOYSA-N,Positive,UA002301|UA002303,[M+H]+,CID35|CID35,213.0546:121.0284:185.0597|213.0557:121.029:185.0608,UFZ_Additional_Specs,,,,,
100.003.805,204-185-0,117-34-0,Diphenylacetic acid,diphenylacetic acid,OC(=O)C(c1ccccc1)c2ccccc2,OC(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)",C14H12O2,,,,,,PYHXGXCGESYPCW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.812,204-192-9,117-46-4,"4-(benzoylamino)-5-hydroxynaphthalene-2,7-disulphonic acid","4-(benzoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid",Oc1cc(cc2cc(cc(NC(=O)c3ccccc3)c12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2cc(cc(NC(=O)c3ccccc3)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H13NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26)",C17H13NO8S2,,,,,,RKKZDGOUSIOSIY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.815,204-196-0,117-55-5,"4-aminonaphthalene-1,5-disulphonic acid","4-aminonaphthalene-1,5-disulfonic acid",Nc1ccc(c2cccc(c12)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc(c2cccc(c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,PHZVGKMVVKFBCX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.820,204-201-6,117-62-4,"2-aminonaphthalene-1,5-disulphonic acid","2-aminonaphthalene-1,5-disulfonic acid",Nc1ccc2c(cccc2c1S(=O)(=O)O)S(=O)(=O)O,Nc1ccc2c(cccc2c1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,YAIKCRUPEVOINQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.833,204-215-2,117-85-1,Bis(2-(2-ethoxyethoxy)ethyl) phthalate,bis[2-(2-ethoxyethoxy)ethyl] phthalate,CCOCCOCCOC(=O)c1ccccc1C(=O)OCCOCCOCC,CCOCCOCCOC(=O)c1ccccc1C(=O)OCCOCCOCC,"InChI=1/C20H30O8/c1-3-23-9-11-25-13-15-27-19(21)17-7-5-6-8-18(17)20(22)28-16-14-26-12-10-24-4-2/h5-8H,3-4,9-16H2,1-2H3",C20H30O8,,,,,,BWTZODIETZQWSD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.031,202-233-5,93-26-5,N-(2-methoxyphenyl)acetamide,N-(2-methoxyphenyl)acetamide,COc1ccccc1NC(=O)C,COc1ccccc1NC(=O)C,"InChI=1/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)",C9H11NO2,,,,,,FGOFNVXHDGQVBG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.033,202-235-6,93-28-7,4-allyl-2-methoxyphenyl acetate,4-allyl-2-methoxyphenyl acetate,COc1cc(CC=C)ccc1OC(=O)C,COc1cc(CC=C)ccc1OC(=O)C,"InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3",C12H14O3,,,,,,SCCDQYPEOIRVGX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.039,202-241-9,93-36-7,7-amino-2-naphthol,7-amino-2-naphthol,Nc1ccc2ccc(O)cc2c1,Nc1ccc2ccc(O)cc2c1,"InChI=1/C10H9NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,12H,11H2",C10H9NO,,,,,,WSUYONLKFXZZRV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.042,202-245-0,93-42-5,2-mercapto-N-2-naphthylacetamide,N-2-naphthyl-2-sulfanylacetamide,SCC(=O)Nc1ccc2ccccc2c1,SCC(=O)Nc1ccc2ccccc2c1,"InChI=1/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)",C12H11NOS,,,,,,SGMHGVVTMOGJMX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.049,202-252-9,93-51-6,2-methoxy-p-cresol,2-methoxy-4-methylphenol,COc1cc(C)ccc1O,COc1cc(C)ccc1O,"InChI=1/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3",C8H10O2,,,,,,PETRWTHZSKVLRE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.057,202-261-8,93-60-7,Methyl nicotinate,methyl nicotinate,COC(=O)c1cccnc1,COC(=O)c1cccnc1,"InChI=1/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",C7H7NO2,,,,,,YNBADRVTZLEFNH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.063,202-268-6,93-69-6,1-o-tolylbiguanide,N-(2-methylphenyl)imidodicarbonimidic diamide,Cc1ccccc1NC(=N)NC(=N)N,Cc1ccccc1NC(=N)NC(=N)N,"InChI=1/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)",C9H13N5,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6768,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.063,SQZCAOHYQSOZCE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.069,202-274-9,93-77-6,"[(4-chloro-2,5-dimethylphenyl)thio]acetic acid","[(4-chloro-2,5-dimethylphenyl)sulfanyl]acetic acid",Cc1cc(SCC(=O)O)c(C)cc1Cl,Cc1cc(SCC(=O)O)c(C)cc1Cl,"InChI=1/C10H11ClO2S/c1-6-4-9(14-5-10(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13)",C10H11ClO2S,,,,,,OEEPIGFTISQIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.076,202-282-2,93-84-5,"1,3-dihydro-5-nitro-2H-benzimidazol-2-one","5-nitro-1,3-dihydro-2H-benzimidazol-2-one",[O-][N+](=O)c1ccc2NC(=O)Nc2c1,[O-][N+](=O)c1ccc2NC(=O)Nc2c1,"InChI=1/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)",C7H5N3O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1875,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.076,DLJZIPVEVJOKHB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.082,202-289-0,93-94-7,"Diethyl ß,ß'-dioxobenzene-1,4-dipropionate","diethyl 3,3'-(1,4-phenylene)bis(3-oxopropanoate)",CCOC(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)OCC,CCOC(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)OCC,"InChI=1/C16H18O6/c1-3-21-15(19)9-13(17)11-5-7-12(8-6-11)14(18)10-16(20)22-4-2/h5-8H,3-4,9-10H2,1-2H3",C16H18O6,,,,,,OQMWAQGCEOMWNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.094,202-303-5,94-09-7,Benzocaine,ethyl 4-aminobenzoate,CCOC(=O)c1ccc(N)cc1,CCOC(=O)c1ccc(N)cc1,"InChI=1/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",C9H11NO2,,,,,,BLFLLBZGZJTVJG-UHFFFAOYSA-N,Positive,SM862301,[M+H]+,HCD35,138.0549:94.0651:120.0444,CASMI_2016,,,,,
100.002.097,202-306-1,94-12-2,Risocaine,propyl 4-aminobenzoate,CCCOC(=O)c1ccc(N)cc1,CCCOC(=O)c1ccc(N)cc1,"InChI=1/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3",C10H13NO2,,,,,,NBFQYHKHPBMJJV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.099,202-308-2,94-14-4,Isobutamben,isobutyl 4-aminobenzoate,CC(C)COC(=O)c1ccc(N)cc1,CC(C)COC(=O)c1ccc(N)cc1,"InChI=1/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3",C11H15NO2,,,,,,PUYOAVGNCWPANW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.102,202-311-9,94-18-8,Benzyl 4-hydroxybenzoate,benzyl 4-hydroxybenzoate,Oc1ccc(cc1)C(=O)OCc2ccccc2,Oc1ccc(cc1)C(=O)OCc2ccccc2,"InChI=1/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2",C14H12O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17658,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.102,MOZDKDIOPSPTBH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.104,202-314-5,94-20-2,Chlorpropamide,4-chloro-N-(propylcarbamoyl)benzenesulfonamide,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)",C10H13ClN2O3S,,,,,,RKWGIWYCVPQPMF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.110,202-320-8,94-30-4,Ethyl anisate,ethyl 4-methoxybenzoate,CCOC(=O)c1ccc(OC)cc1,CCOC(=O)c1ccc(OC)cc1,"InChI=1/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3",C10H12O3,,,,,,FHUODBDRWMIBQP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.112,202-322-9,94-32-6,Ethyl p-butylaminobenzoate,ethyl 4-(butylamino)benzoate,CCCCNc1ccc(cc1)C(=O)OCC,CCCCNc1ccc(cc1)C(=O)OCC,"InChI=1/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H3",C13H19NO2,,,,,,GTXRSQYDLPYYNW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.119,202-330-2,94-41-7,Chalcone,chalcone,O=C(\\C=C\\c1ccccc1)c2ccccc2,O=C(\C=C\c1ccccc1)c2ccccc2,InChI=1/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,C15H12O,,,,,,DQFBYFPFKXHELB-VAWYXSNFSA-N,,,,,,,,,,,
100.003.721,204-093-0,115-51-5,"3-carbamoyl-3,3-diphenylpropyl(ethyl)dimethylammonium bromide","4-amino-N-ethyl-N,N-dimethyl-4-oxo-3,3-diphenylbutan-1-aminium bromide",[Br-].CC[N+](C)(C)CCC(C(=O)N)(c1ccccc1)c2ccccc2,[Br-].CC[N+](C)(C)CCC(C(=O)N)(c1ccccc1)c2ccccc2,"InChI=1/C20H26N2O.BrH/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3,(H-,21,23);1H",C20H27N2O.Br,,,,,,VTAGVKVPFBOVRM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.731,204-103-3,115-76-4,"2,2-diethylpropanediol","2,2-diethylpropane-1,3-diol",CCC(CC)(CO)CO,CCC(CC)(CO)CO,"InChI=1/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3",C7H16O2,,,,,,XRVCFZPJAHWYTB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.733,204-105-4,115-78-6,Chlorphonium chloride,"tributyl(2,4-dichlorobenzyl)phosphonium chloride",[Cl-].CCCC[P+](CCCC)(CCCC)Cc1ccc(Cl)cc1Cl,[Cl-].CCCC[P+](CCCC)(CCCC)Cc1ccc(Cl)cc1Cl,"InChI=1/C19H32Cl2P.ClH/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21;/h10-11,15H,4-9,12-14,16H2,1-3H3;1H/q+1;/p-1",C19H32Cl2P.Cl,,,,,,IVHVNMLJNASKHW-UHFFFAOYSA-M,,,,,,,,,,,
100.003.738,204-111-7,115-84-4,2-butyl-2-ethylpropanediol,"2-butyl-2-ethylpropane-1,3-diol",CCCCC(CO)(CO)CC,CCCCC(CO)(CO)CC,"InChI=1/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3",C9H20O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12725,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.738,DSKYSDCYIODJPC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.742,204-115-9,115-93-5,"O,O-dimethyl O-(4-sulphamoylphenyl) thiophosphate","O,O-dimethyl O-(4-sulfamoylphenyl) thiophosphate",COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N,COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N,"InChI=1/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)",C8H12NO5PS2,,,,,,BSBSDQUZDZXGFN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.743,204-116-4,115-95-7,Linalyl acetate,"1,5-dimethyl-1-vinylhex-4-en-1-yl acetate",CC(=CCCC(C)(OC(=O)C)C=C)C,CC(=CCCC(C)(OC(=O)C)C=C)C,"InChI=1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",C12H20O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14484,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.743,UWKAYLJWKGQEPM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.747,204-121-1,116-01-8,Ethoate-methyl,"S-[2-(ethylamino)-2-oxoethyl] O,O-dimethyl dithiophosphate",CCNC(=O)CSP(=S)(OC)OC,CCNC(=O)CSP(=S)(OC)OC,"InChI=1/C6H14NO3PS2/c1-4-7-6(8)5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)",C6H14NO3PS2,,,,,,DICRHEJCQXFJBY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.754,204-129-5,116-16-5,Hexachloroacetone,"1,1,1,3,3,3-hexachloroacetone",ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,"InChI=1/C3Cl6O/c4-2(5,6)1(10)3(7,8)9",C3Cl6O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17343,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.754,DOJXGHGHTWFZHK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.757,204-132-1,116-25-6,"1-hydroxymethyl-5,5-dimethylhydantoin","1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(CO)C(=O)NC1=O,CC1(C)N(CO)C(=O)NC1=O,"InChI=1/C6H10N2O3/c1-6(2)4(10)7-5(11)8(6)3-9/h9H,3H2,1-2H3,(H,7,10,11)",C6H10N2O3,,,,,,SIQZJFKTROUNPI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.766,204-142-6,116-45-0,"4-amino-N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)benzenesulphonamide","4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br,Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br,"InChI=1/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)",C12H13BrN4O2S,,,,,,KWXCNODTHBHSIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.783,204-160-4,116-82-5,1-amino-2-bromo-4-hydroxyanthraquinone,"1-amino-2-bromo-4-hydroxy-9,10-anthraquinone",Nc1c(Br)cc(O)c2C(=O)c3ccccc3C(=O)c12,Nc1c(Br)cc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8BrNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2",C14H8BrNO3,,,,,,MSSQDESMUMSQEN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.785,204-163-0,116-85-8,1-amino-4-hydroxyanthraquinone,"1-amino-4-hydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2",C14H9NO3,,,,,,AQXYVFBSOOBBQV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.809,204-189-2,117-43-1,"8-hydroxynaphthalene-1,6-disulphonic acid","8-hydroxynaphthalene-1,6-disulfonic acid",Oc1cc(cc2cccc(c12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2cccc(c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O7S2/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)",C10H8O7S2,,,,,,XQAFHGXXHIZSGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.810,204-190-8,117-44-2,"4-[(4-amino-5-methoxy-o-tolyl)azo]-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid","4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-[(phenylsulfonyl)oxy]naphthalene-2,7-disulfonic acid",Nc1cc(C)c(cc1OC)N=Nc4cc(cc3cc(cc(OS(=O)(=O)c2ccccc2)c34)S(O)(=O)=O)S(O)(=O)=O,Nc1cc(C)c(cc1OC)N=Nc4cc(cc3cc(cc(OS(=O)(=O)c2ccccc2)c34)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C24H21N3O10S3/c1-14-8-19(25)22(36-2)13-20(14)26-27-21-11-17(38(28,29)30)9-15-10-18(39(31,32)33)12-23(24(15)21)37-40(34,35)16-6-4-3-5-7-16/h3-13H,25H2,1-2H3,(H,28,29,30)(H,31,32,33)",C24H21N3O10S3,,,,,,QEYCCMMMEKIJFH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.045,206-648-2,362-66-3,S-stearoylcoenzyme A,9-{5-O-[hydroxy(3-oxo-3-{[2-(stearoylsulfanyl)ethyl]amino}propoxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,"InChI=1/C33H58N6O12P2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(41)54-21-19-35-26(40)18-20-48-53(46,47)49-22-25-30(51-52(43,44)45)29(42)33(50-25)39-24-38-28-31(34)36-23-37-32(28)39/h23-25,29-30,33,42H,2-22H2,1H3,(H,35,40)(H,46,47)(H2,34,36,37)(H2,43,44,45)",C39H70N7O17P3S,,,,,,FBSWPSVCYDEDDR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.046,206-649-8,362-74-3,Bucladesine,"6-[6-(butyrylamino)-9H-purin-9-yl]-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate",CCCC(=O)Nc1ncnc2c1ncn2[C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3OC(=O)CCC,CCCC(=O)Nc1ncnc2c1ncn2[C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3OC(=O)CCC,"InChI=1/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)",C18H24N5O8P,,,,,,CJGYSWNGNKCJSB-YVLZZHOMSA-N,,,,,,,,,,,
100.006.047,206-650-3,362-75-4,"2',3'-isopropylideneadenosine","2-(6-amino-9H-purin-9-yl)-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol",CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](n3cnc4c(N)ncnc34)[C@@]12O,CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](n3cnc4c(N)ncnc34)[C@@]12O,"InChI=1/C13H17N5O4/c1-11(2)12(20)6(3-19)22-10(13(11,12)21)18-5-17-7-8(14)15-4-16-9(7)18/h4-6,10,19-21H,3H2,1-2H3,(H2,14,15,16)",C13H17N5O4,,,,,,FRWOPYAMODVVFW-GDQJLZBOSA-N,,,,,,,,,,,
100.006.053,206-657-1,363-51-9,2-chloro-6-fluoroaniline,2-chloro-6-fluoroaniline,Nc1c(F)cccc1Cl,Nc1c(F)cccc1Cl,"InChI=1/C6H5ClFN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2",C6H5ClFN,,,,,,ZJLAWMDJTMMTQB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.056,206-660-8,363-81-5,"2,4,6-trifluoroaniline","2,4,6-trifluoroaniline",Nc1c(F)cc(F)cc1F,Nc1c(F)cc(F)cc1F,"InChI=1/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2",C6H4F3N,,,,,,BJSVKBGQDHUBHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.067,206-672-3,365-26-4,"(R*,S*)-4-hydroxy-a-[1-(methylamino)ethyl]benzyl alcohol",4-[1-hydroxy-2-(methylamino)propyl]phenol,CNC(C)C(O)c1ccc(O)cc1,CNC(C)C(O)c1ccc(O)cc1,"InChI=1/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3",C10H15NO2,,,,,,OXFGTKPPFSCSMA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.068,206-673-9,365-33-3,2-nitrobenzenediazonium tetrafluoroborate,2-nitrobenzenediazonium tetrafluoroborate,[O-][N+](=O)c1ccccc1[N+]#N.F[B-](F)(F)F,[O-][N+](=O)c1ccccc1[N+]#N.F[B-](F)(F)F,"InChI=1/C6H4N3O2.BF4/c7-8-5-3-1-2-4-6(5)9(10)11;2-1(3,4)5/h1-4H;/q+1;-1",C6H4N3O2.BF4,,,,,,ODEGNSWGVXKLIR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.069,206-674-4,366-18-7,"2,2'-bipyridyl","2,2'-bipyridine",c1ccc(nc1)c2ccccn2,c1ccc(nc1)c2ccccn2,InChI=1/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H,C10H8N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12270,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.069,ROFVEXUMMXZLPA-UHFFFAOYSA-N,Positive,SM816201,[M+H]+,HCD35,157.0759:130.065:96.0443,CASMI_2016,,,,,
100.006.083,206-690-1,367-30-6,"2,5-difluoroaniline","2,5-difluoroaniline",Nc1cc(F)ccc1F,Nc1cc(F)ccc1F,"InChI=1/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2",C6H5F2N,,,,,,YNOOQIUSYGWMSS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.084,206-691-7,367-31-7,"4-fluorobenzene-1,2-diamine","4-fluorobenzene-1,2-diamine",Nc1ccc(F)cc1N,Nc1ccc(F)cc1N,"InChI=1/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2",C6H7FN2,,,,,,KWEWNOOZQVJONF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.086,206-693-8,367-44-2,Diethylfluoroaluminium,diethyl(fluoro)aluminum,CC[Al](F)CC,CC[Al](F)CC,"InChI=1/2C2H5.Al.FH/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1/rC4H10AlF/c1-3-5(6)4-2/h3-4H2,1-2H3",C4H10AlF,,,,,,HRXSKIOIHQEGAI-UHFFFAOYSA-M,,,,,,,,,,,
100.006.092,206-700-4,367-81-7,"5-fluoro-2,4-dinitroaniline","5-fluoro-2,4-dinitroaniline",Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-],Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2",C6H4FN3O4,,,,,,RAGRTYREMCPEIV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.095,206-704-6,368-16-1,3-methyl-L-histidine,3-methyl-L-histidine,Cn1cncc1C[C@H](N)C(=O)O,Cn1cncc1C[C@H](N)C(=O)O,"InChI=1/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)",C7H11N3O2,,,,,,JDHILDINMRGULE-LURJTMIESA-N,,,,,,,,,,,
100.006.099,206-708-8,368-53-6,"5-(trifluoromethyl)benzene-1,3-diamine","5-(trifluoromethyl)benzene-1,3-diamine",Nc1cc(N)cc(c1)C(F)(F)F,Nc1cc(N)cc(c1)C(F)(F)F,"InChI=1/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2",C7H7F3N2,,,,,,KZSXRDLXTFEHJM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.102,206-711-4,368-77-4,"a,a,a-trifluoro-m-toluonitrile",3-(trifluoromethyl)benzonitrile,FC(F)(F)c1cccc(c1)C#N,FC(F)(F)c1cccc(c1)C#N,"InChI=1/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H",C8H4F3N,,,,,,OGOBINRVCUWLGN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.110,206-720-3,369-36-8,2-fluoro-5-nitroaniline,2-fluoro-5-nitroaniline,Nc1cc(ccc1F)[N+](=O)[O-],Nc1cc(ccc1F)[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2",C6H5FN2O2,,,,,,KJVBJICWGQIMOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.113,206-724-5,369-77-7,Halocarban,1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea,FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl,FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl,"InChI=1/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)",C14H9Cl2F3N2O,,,,,,ZFSXZJXLKAJIGS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.834,204-216-8,117-86-2,"3-nitronaphthalene-1,5-disulphonic acid","3-nitronaphthalene-1,5-disulfonic acid",OS(=O)(=O)c1cccc2c(cc(cc12)[N+](=O)[O-])S(=O)(=O)O,OS(=O)(=O)c1cccc2c(cc(cc12)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C10H7NO8S2/c12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16/h1-5H,(H,14,15,16)(H,17,18,19)",C10H7NO8S2,,,,,,YDPFPDNDNZUKPL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.835,204-217-3,117-87-3,8-hydroxy-7-[(4-sulpho-1-naphthyl)azo]quinoline-5-sulphonic acid,8-hydroxy-7-[(4-sulfo-1-naphthyl)diazenyl]quinoline-5-sulfonic acid,OS(=O)(=O)c4ccc(N=Nc1cc(c2cccnc2c1O)S(O)(=O)=O)c3ccccc34,OS(=O)(=O)c4ccc(N=Nc1cc(c2cccnc2c1O)S(O)(=O)=O)c3ccccc34,"InChI=1/C19H13N3O7S2/c23-19-15(10-17(31(27,28)29)13-6-3-9-20-18(13)19)22-21-14-7-8-16(30(24,25)26)12-5-2-1-4-11(12)14/h1-10,23H,(H,24,25,26)(H,27,28,29)",C19H13N3O7S2,,,,,,GNOVKNAMSGDHAT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.838,204-221-5,117-92-0,2-(-(4-dimethylamino)styryl)-1-ethylquinolinium iodide,2-{2-[4-(dimethylamino)phenyl]vinyl}-1-ethylquinolinium,CC[n+]1c(C=Cc2ccc(cc2)N(C)C)ccc3ccccc13,CC[n+]1c(C=Cc2ccc(cc2)N(C)C)ccc3ccccc13,"InChI=1/C21H23N2/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3/h5-16H,4H2,1-3H3/q+1",C21H23N2.I,,,,,,DUIOFNIINCIKNR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.839,204-222-0,117-93-1,N-(2-hydroxy-1-naphthyl)acetamide,N-(2-hydroxy-1-naphthyl)acetamide,CC(=O)Nc1c(O)ccc2ccccc12,CC(=O)Nc1c(O)ccc2ccccc12,"InChI=1/C12H11NO2/c1-8(14)13-12-10-5-3-2-4-9(10)6-7-11(12)15/h2-7,15H,1H3,(H,13,14)",C12H11NO2,,,,,,ABBNXJIPPYAOSC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.840,204-223-6,117-96-4,"3,5-diacetamido-2,4,6-triiodobenzoic acid","3,5-diacetamido-2,4,6-triiodobenzoic acid",CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",C11H9I3N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11883,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.840,YVPYQUNUQOZFHG-UHFFFAOYSA-N,Positive/Negative,EA023901|EA023902|EA023903|EA023904|EA023905|EA023906|EA023907|EA023908|EA023909|EA023910|EA023911|EA023912|EA023913|EA023914,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,360.9678:487.8723:233.0556|360.9677:293.9003|360.9678:233.0556:192.053|233.0555:192.0529:360.9682|233.0556:148.0392:192.0528|148.0392:233.0553:192.0527|148.0392:146.0474:180.0523|360.9678:325.9538:233.0555|360.9677:233.0554:192.0527|233.0554:192.0527:360.9677|233.0554:148.0391:192.0527|148.0392:233.0554:192.0527|148.0392:192.0529:118.0525|360.9677:487.8718:233.0554,Eawag,SM866451,[M-H]-,HCD35,112.0279,CASMI_2016
100.003.841,204-224-1,117-97-5,Zinc bis(pentachlorothiophenolate),zinc bis(pentachlorobenzenethiolate),[Zn+2].[S-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[S-]c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,[Zn+2].[S-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[S-]c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,InChI=1/2C6HCl5S.Zn/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2,C6HCl5S.1/2Zn,,,,,,ONSIBMFFLJKTPT-UHFFFAOYSA-L,,,,,,,,,,,
100.003.844,204-227-8,118-00-3,Guanosine,guanosine,NC1=Nc2c(ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1,NC1=Nc2c(ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1,"InChI=1/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)",C10H13N5O5,,,,,,NYHBQMYGNKIUIF-UUOKFMHZSA-N,,,,,,,,,,,
100.003.845,204-228-3,118-02-5,"2,4-dinitrosoresorcinol","2,4-dinitrosobenzene-1,3-diol",Oc1ccc(N=O)c(O)c1N=O,Oc1ccc(N=O)c(O)c1N=O,"InChI=1/C6H4N2O4/c9-4-2-1-3(7-11)6(10)5(4)8-12/h1-2,9-10H",C6H4N2O4,,,,,,IBZJGOGLCABLDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.852,204-236-7,118-13-8,3-hydroxyquinoline-4-carboxylic acid,3-hydroxyquinoline-4-carboxylic acid,OC(=O)c1c(O)cnc2ccccc12,OC(=O)c1c(O)cnc2ccccc12,"InChI=1/C10H7NO3/c12-8-5-11-7-4-2-1-3-6(7)9(8)10(13)14/h1-5,12H,(H,13,14)",C10H7NO3,,,,,,MXNVEJDRXSFZQB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.854,204-238-8,118-23-0,Bromazine,"2-[(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine",CN(C)CCOC(c1ccccc1)c2ccc(Br)cc2,CN(C)CCOC(c1ccccc1)c2ccc(Br)cc2,"InChI=1/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3",C17H20BrNO,,,,,,NUNIWXHYABYXKF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.858,204-243-5,118-30-9,2-ethoxynaphthalen-1-amine,2-ethoxynaphthalen-1-amine,CCOc1ccc2ccccc2c1N,CCOc1ccc2ccccc2c1N,"InChI=1/C12H13NO/c1-2-14-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-8H,2,13H2,1H3",C12H13NO,,,,,,TUOWYJFPLMIKCX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.868,204-254-5,118-47-8,5-oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid,"5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,OC(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C10H8N2O6S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18/h1-4H,5H2,(H,14,15)(H,16,17,18)",C10H8N2O6S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17326,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.868,TYCNXOAPQGVAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.871,204-257-1,118-51-4,4-hydroxy-7-[(4-methoxyphenyl)amino]naphthalen-2-sulphonic acid,4-hydroxy-7-[(4-methoxyphenyl)amino]naphthalene-2-sulfonic acid,COc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1,COc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1,"InChI=1/C17H15NO5S/c1-23-14-5-2-12(3-6-14)18-13-4-7-16-11(8-13)9-15(10-17(16)19)24(20,21)22/h2-10,18-19H,1H3,(H,20,21,22)",C17H15NO5S,,,,,,SERHNKPMCYWTBI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.872,204-258-7,118-52-5,"1,3-dichloro-5,5-dimethylhydantoin","1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(Cl)C(=O)N(Cl)C1=O,CC1(C)N(Cl)C(=O)N(Cl)C1=O,InChI=1/C5H6Cl2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,C5H6Cl2N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18181,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.872,KEQGZUUPPQEDPF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.873,204-259-2,118-55-8,Phenyl salicylate,phenyl salicylate,Oc1ccccc1C(=O)Oc2ccccc2,Oc1ccccc1C(=O)Oc2ccccc2,"InChI=1/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H",C13H10O3,,,,,,ZQBAKBUEJOMQEX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.124,202-336-5,94-47-3,Phenethyl benzoate,2-phenylethyl benzoate,O=C(OCCc1ccccc1)c2ccccc2,O=C(OCCc1ccccc1)c2ccccc2,"InChI=1/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2",C15H14O2,,,,,,OSORMYZMWHVFOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.127,203-438-2,106-88-7,"1,2-epoxybutane",2-ethyloxirane,CCC1CO1,CCC1CO1,"InChI=1/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3",C4H8O,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13837,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.127,RBACIKXCRWGCBB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.133,203-445-0,106-94-5,1-bromopropane,1-bromopropane,CCCBr,CCCBr,"InChI=1/C3H7Br/c1-2-3-4/h2-3H2,1H3",C3H7Br,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15004,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.133,CYNYIHKIEHGYOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.149,203-462-3,107-10-8,Propylamine,propan-1-amine,CCCN,CCCN,"InChI=1/C3H9N/c1-2-3-4/h2-4H2,1H3",C3H9N,Full,Joint,10+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1998,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.149,WGYKZJWCGVVSQN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.150,203-463-9,107-11-9,Allylamine,prop-2-en-1-amine,NCC=C,NCC=C,"InChI=1/C3H7N/c1-2-3-4/h2H,1,3-4H2",C3H7N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5470,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.150,VVJKKWFAADXIJK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.154,203-468-6,107-15-3,Ethylenediamine,"ethane-1,2-diamine",NCCN,NCCN,InChI=1/C2H8N2/c3-1-2-4/h1-4H2,C2H8N2,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15765,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.154,PIICEJLVQHRZGT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.164,203-479-6,107-29-9,Acetaldehyde oxime,acetaldehyde oxime,C\\C=N/O,C\C=N/O,"InChI=1/C2H5NO/c1-2-3-4/h2,4H,1H3",C2H5NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5292,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.164,FZENGILVLUJGJX-IHWYPQMZSA-N,,,,,,,,,,,
100.003.165,203-480-1,107-30-2,Chloromethyl methyl ether,chloro(methoxy)methane,COCCl,COCCl,"InChI=1/C2H5ClO/c1-4-2-3/h2H2,1H3",C2H5ClO,,,,,,XJUZRXYOEPSWMB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.168,203-483-8,107-35-7,Taurine,2-aminoethanesulfonic acid,NCCS(=O)(=O)O,NCCS(=O)(=O)O,"InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)",C2H7NO3S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6448,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.168,XOAAWQZATWQOTB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.169,203-484-3,107-36-8,2-hydroxyethanesulphonic acid,2-hydroxyethanesulfonic acid,OCCS(=O)(=O)O,OCCS(=O)(=O)O,"InChI=1/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)",C2H6O4S,,,,,,SUMDYPCJJOFFON-UHFFFAOYSA-N,,,,,,,,,,,
100.003.171,203-486-4,107-39-1,"2,4,4-trimethylpent-1-ene","2,4,4-trimethylpent-1-ene",CC(=C)CC(C)(C)C,CC(=C)CC(C)(C)C,"InChI=1/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3",C8H16,,,,,,FXNDIJDIPNCZQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.173,203-489-0,107-41-5,"2-methylpentane-2,4-diol","2-methylpentane-2,4-diol",CC(O)CC(C)(C)O,CC(O)CC(C)(C)O,"InChI=1/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3",C6H14O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14212,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.173,SVTBMSDMJJWYQN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.174,203-490-6,107-43-7,Betaine,(trimethylammonio)acetate,C[N+](C)(C)CC(=O)[O-],C[N+](C)(C)CC(=O)[O-],"InChI=1/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",C5H11NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15954,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.174,KWIUHFFTVRNATP-UHFFFAOYSA-N,Positive,ML004201,[M+H]+,HCD50,118.0865,MetaboLights,,,,,
100.003.177,203-493-2,107-47-1,Di-tert-butyl sulphide,"2,2'-sulfanediylbis(2-methylpropane)",CC(C)(C)SC(C)(C)C,CC(C)(C)SC(C)(C)C,"InChI=1/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3",C8H18S,,,,,,LNMBCRKRCIMQLW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.181,203-497-4,107-51-7,Octamethyltrisiloxane,octamethyltrisiloxane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3",C8H24O2Si3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16055,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.181,CXQXSVUQTKDNFP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.190,203-508-2,107-64-2,Dimethyldioctadecylammonium chloride,"N,N-dimethyl-N-octadecyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,"InChI=1/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1",C38H80N.Cl,,,,,,REZZEXDLIUJMMS-UHFFFAOYSA-M,,,,,,,,,,,
100.003.191,203-509-8,107-66-4,Dibutyl hydrogen phosphate,dibutyl hydrogen phosphate,CCCCOP(=O)(O)OCCCC,CCCCOP(=O)(O)OCCCC,"InChI=1/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)",C8H19O4P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12811,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.191,JYFHYPJRHGVZDY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.193,203-511-9,107-69-7,"2,2,2-trichloroethyl carbamate","2,2,2-trichloroethyl carbamate",NC(=O)OCC(Cl)(Cl)Cl,NC(=O)OCC(Cl)(Cl)Cl,"InChI=1/C3H4Cl3NO2/c4-3(5,6)1-9-2(7)8/h1H2,(H2,7,8)",C3H4Cl3NO2,,,,,,QPLJYAKLSCXZSF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.204,203-523-4,107-83-5,2-methylpentane,2-methylpentane,CCCC(C)C,CCCC(C)C,"InChI=1/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3",C6H14,,,,,,AFABGHUZZDYHJO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.209,203-529-7,107-88-0,"Butane-1,3-diol","butane-1,3-diol",CC(O)CCO,CC(O)CCO,"InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",C4H10O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14962,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.209,PUPZLCDOIYMWBV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.212,203-532-3,107-92-6,Butyric acid,butyric acid,CCCC(=O)O,CCCC(=O)O,"InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",C4H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13507,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.212,FERIUCNNQQJTOY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.223,203-544-9,108-03-2,1-nitropropane,1-nitropropane,CCC[N+](=O)[O-],CCC[N+](=O)[O-],"InChI=1/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3",C3H7NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11705,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.223,JSZOAYXJRCEYSX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.814,204-195-5,117-52-2,Coumafuryl,3-[1-(2-furyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3occc3,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3occc3,"InChI=1/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3",C17H14O5,,,,,,JFIXKFSJCQNGEK-UHFFFAOYSA-N,Positive/Negative,EQ309101|EQ309102|EQ309103|EQ309104|EQ309105|EQ309106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,137.0597:241.0495:163.0389|241.0495:189.0546:137.0597|241.0495:189.0546:121.0284|121.0283:213.0546:241.0495|121.0284:213.0545:141.0698|121.0284:115.0542:141.0698,Eawag,EQ309151|EQ309152|EQ309153|EQ309154|EQ309155|EQ309156,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,297.0766:161.0244:240.0428|161.0244:240.0428:297.0767|161.0244:240.0428:211.0401|211.04:161.0244:117.0347|211.04:117.0347:161.0244|211.04:117.0347:57.0346,Eawag
100.003.823,204-204-2,117-70-4,"Naphth[2,1-d]-1,2,3-oxadiazole-5-sulphonic acid","naphtho[2,1-d][1,2,3]oxadiazole-5-sulfonic acid",OS(=O)(=O)c1cc2nnoc2c3ccccc13,OS(=O)(=O)c1cc2nnoc2c3ccccc13,"InChI=1/C10H6N2O4S/c13-17(14,15)9-5-8-10(16-12-11-8)7-4-2-1-3-6(7)9/h1-5H,(H,13,14,15)",C10H6N2O4S,,,,,,OIDKWKZBMQUGNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.824,204-205-8,117-71-5,"2'-chloro[1,1'-biphenyl]-2,5-diol","2'-chlorobiphenyl-2,5-diol",Oc1ccc(O)c(c1)c2ccccc2Cl,Oc1ccc(O)c(c1)c2ccccc2Cl,"InChI=1/C12H9ClO2/c13-11-4-2-1-3-9(11)10-7-8(14)5-6-12(10)15/h1-7,14-15H",C12H9ClO2,,,,,,XRKJFSFMYUQOSD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.827,204-208-4,117-79-3,2-aminoanthraquinone,"2-amino-9,10-anthraquinone",Nc1ccc2C(=O)c3ccccc3C(=O)c2c1,Nc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2",C14H9NO2,,,,,,XOGPDSATLSAZEK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.831,204-213-1,117-83-9,Bis(2-butoxyethyl) phthalate,bis(2-butoxyethyl) phthalate,CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC,CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC,"InChI=1/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3",C20H30O6,,,,,,CMCJNODIWQEOAI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.846,204-229-9,118-03-6,"7-aminonaphthalene-1,3,6-trisulphonic acid","7-aminonaphthalene-1,3,6-trisulfonic acid",Nc1cc2c(cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Nc1cc2c(cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)",C10H9NO9S3,,,,,,GFPQSWFFPRQEHH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.861,204-246-1,118-33-2,"6-aminonaphthalene-1,3-disulphonic acid","6-aminonaphthalene-1,3-disulfonic acid",Nc1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,KZCSUEYBKAPKNH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.862,204-247-7,118-36-5,2-hydroxydibenzofuran-3-carboxylic acid,"2-hydroxydibenzo[b,d]furan-3-carboxylic acid",OC(=O)c1cc2oc3ccccc3c2cc1O,OC(=O)c1cc2oc3ccccc3c2cc1O,"InChI=1/C13H8O4/c14-10-5-8-7-3-1-2-4-11(7)17-12(8)6-9(10)13(15)16/h1-6,14H,(H,15,16)",C13H8O4,,,,,,QWRCZQZZFQIUEF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.866,204-251-9,118-45-6,4-chlorophthalic anhydride,"5-chloro-2-benzofuran-1,3-dione",Clc1ccc2C(=O)OC(=O)c2c1,Clc1ccc2C(=O)OC(=O)c2c1,InChI=1/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H,C8H3ClO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12546,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.866,BTTRMCQEPDPCPA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.869,204-255-0,118-48-9,"4H-3,1-benzoxazine-2,4(1H)-dione","2H-3,1-benzoxazine-2,4(1H)-dione",O=C1Nc2ccccc2C(=O)O1,O=C1Nc2ccccc2C(=O)O1,"InChI=1/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)",C8H5NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18515,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.869,TXJUTRJFNRYTHH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.870,204-256-6,118-50-3,7-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulphonic acid,7-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid,Nc1cccc(c1)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O,Nc1cccc(c1)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O,"InChI=1/C17H14N2O5S/c18-12-3-1-2-10(6-12)17(21)19-13-4-5-15-11(7-13)8-14(9-16(15)20)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)",C17H14N2O5S,,,,,,XONNZQRHMVHLNV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.874,204-260-8,118-56-9,Homosalate,"3,3,5-trimethylcyclohexyl salicylate",CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O,CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O,"InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3",C16H22O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13246,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.874,WSSJONWNBBTCMG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.875,204-261-3,118-57-0,Acetaminosalol,4-acetamidophenyl salicylate,CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1,CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1,"InChI=1/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)",C15H13NO4,,,,,,TWIIVLKQFJBFPW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.881,204-268-1,118-68-3,Etryptamine acetate,1-(1H-indol-3-yl)butan-2-amine acetate,CCC(N)Cc1c[nH]c2ccccc12.CC(=O)O,CCC(N)Cc1c[nH]c2ccccc12.CC(=O)O,"InChI=1/C12H16N2.C2H4O2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12;1-2(3)4/h3-6,8,10,14H,2,7,13H2,1H3;1H3,(H,3,4)",C12H16N2.C2H4O2,,,,,,TUQLBJAHRWROHB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.888,204-276-5,118-76-3,"5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetraone","5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetrone",OC1=C(O)C(=O)C(=O)C(=O)C1=O,OC1=C(O)C(=O)C(=O)C(=O)C1=O,InChI=1/C6H2O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8H,C6H2O6,,,,,,WCJLIWFWHPOTAC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.896,204-284-9,118-90-1,o-toluic acid,2-methylbenzoic acid,Cc1ccccc1C(=O)O,Cc1ccccc1C(=O)O,"InChI=1/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O2,,,,,,ZWLPBLYKEWSWPD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.899,204-288-0,118-93-4,2'-hydroxyacetophenone,1-(2-hydroxyphenyl)ethanone,CC(=O)c1ccccc1O,CC(=O)c1ccccc1O,"InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3",C8H8O2,,,,,,JECYUBVRTQDVAT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.115,206-726-6,370-35-4,"Diethyl [(a,a,a-trifluoro-m-toluidino)methylene]malonate",diethyl ({[3-(trifluoromethyl)phenyl]amino}methylene)malonate,CCOC(=O)C(=CNc1cccc(c1)C(F)(F)F)C(=O)OCC,CCOC(=O)C(=CNc1cccc(c1)C(F)(F)F)C(=O)OCC,"InChI=1/C15H16F3NO4/c1-3-22-13(20)12(14(21)23-4-2)9-19-11-7-5-6-10(8-11)15(16,17)18/h5-9,19H,3-4H2,1-2H3",C15H16F3NO4,,,,,,RFRRNORICIZXCP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.117,206-728-7,370-50-3,"1,3-bis(4-chloro-a,a,a-trifluoro-m-tolyl)urea","1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea",FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccc1Cl,FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccc1Cl,"InChI=1/C15H8Cl2F6N2O/c16-11-3-1-7(5-9(11)14(18,19)20)24-13(26)25-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H2,24,25,26)",C15H8Cl2F6N2O,,,,,,ABOVRDBEJDIBMZ-UHFFFAOYSA-N,Negative,,,,,,ETS00123,[M-H]-,HCDscaled by m/z,193.9988:414.9843,Eawag_Additional_Specs2
100.006.121,206-732-9,371-14-2,(4-fluorophenyl)hydrazine,(4-fluorophenyl)hydrazine,NNc1ccc(F)cc1,NNc1ccc(F)cc1,"InChI=1/C6H7FN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2",C6H7FN2,,,,,,ZXBMIRYQUFQQNX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.122,206-733-4,371-15-3,1-fluoro-4-(methylthio)benzene,1-fluoro-4-(methylsulfanyl)benzene,CSc1ccc(F)cc1,CSc1ccc(F)cc1,"InChI=1/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7FS,,,,,,XFUMHENRNCUHOH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.125,206-737-6,371-42-6,4-fluorothiophenol,4-fluorobenzenethiol,Fc1ccc(S)cc1,Fc1ccc(S)cc1,"InChI=1/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8H",C6H5FS,,,,,,OKIHXNKYYGUVTE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.126,206-738-1,371-47-1,Disodium maleate,disodium but-2-enedioate,[Na+].[Na+].[O-]C(=O)\\C=C/C(=O)[O-],[Na+].[Na+].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H4O4.2Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18241,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.126,MSJMDZAOKORVFC-UAIGNFCESA-L,,,,,,,,,,,
100.006.128,206-740-2,371-62-0,2-fluoroethanol,2-fluoroethanol,OCCF,OCCF,"InChI=1/C2H5FO/c3-1-2-4/h4H,1-2H2",C2H5FO,,,,,,GGDYAKVUZMZKRV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.146,206-760-1,372-80-5,Hexanoyl fluoride,hexanoyl fluoride,CCCCCC(=O)F,CCCCCC(=O)F,"InChI=1/C6H11FO/c1-2-3-4-5-6(7)8/h2-5H2,1H3",C6H11FO,,,,,,AURYBMCZYGIOJH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.149,206-763-8,373-14-8,1-fluorohexane,1-fluorohexane,CCCCCCF,CCCCCCF,"InChI=1/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3",C6H13F,,,,,,OFERIJCSHDJMSA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.156,206-771-1,373-88-6,"2,2,2-trifluoroethylamine hydrochloride","2,2,2-trifluoroethanamine hydrochloride",Cl.NCC(F)(F)F,Cl.NCC(F)(F)F,"InChI=1/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H",C2H4F3N.ClH,,,,,,ZTUJDPKOHPKRMO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.163,206-779-5,374-98-1,"1,1,1,2,2,3,3-heptafluoro-4-iodobutane","1,1,1,2,2,3,3-heptafluoro-4-iodobutane",FC(F)(F)C(F)(F)C(F)(F)CI,FC(F)(F)C(F)(F)C(F)(F)CI,"InChI=1/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2",C4H2F7I,,,,,,AFHPVXVEXINDFS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.172,206-788-4,375-50-8,"1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane","1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane",FC(F)(I)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(I)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C4F8I2/c5-1(6,3(9,10)13)2(7,8)4(11,12)14",C4F8I2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18935,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.172,JILAKKYYZPDQBE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.182,206-799-4,375-88-2,1-bromopentadecafluoroheptane,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,"InChI=1/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23",C7BrF15,,,,,,VPQQZKWYZYVTMU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.193,206-811-8,376-68-1,"3,3,4,4,5,5-hexafluorodihydro-2H-pyran-2,6(3H)-dione","3,3,4,4,5,5-hexafluorodihydro-2H-pyran-2,6(3H)-dione",FC1(F)C(=O)OC(=O)C(F)(F)C1(F)F,FC1(F)C(=O)OC(=O)C(F)(F)C1(F)F,"InChI=1/C5F6O3/c6-3(7)1(12)14-2(13)4(8,9)5(3,10)11",C5F6O3,,,,,,IHYAGCYJVNHXCT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.194,206-812-3,376-72-7,"2,2,3,3,4,4,5,5-octafluorovaleric acid","2,2,3,3,4,4,5,5-octafluoropentanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)",C5H2F8O2,,,,,,VGFKXVSMDOKOJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.196,206-814-4,376-77-2,Decafluorocyclopentane,decafluorocyclopentane,FC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C5F10/c6-1(7)2(8,9)4(12,13)5(14,15)3(1,10)11",C5F10,,,,,,PWMJXZJISGDARB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.201,206-820-7,377-38-8,Tetrafluorosuccinic acid,tetrafluorosuccinic acid,OC(=O)C(F)(F)C(F)(F)C(=O)O,OC(=O)C(F)(F)C(F)(F)C(=O)O,"InChI=1/C4H2F4O4/c5-3(6,1(9)10)4(7,8)2(11)12/h(H,9,10)(H,11,12)",C4H2F4O4,,,,,,YUDUFRYTKFGQCL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.202,206-821-2,377-71-9,Diethyl tetrafluorosuccinate,diethyl tetrafluorosuccinate,CCOC(=O)C(F)(F)C(F)(F)C(=O)OCC,CCOC(=O)C(F)(F)C(F)(F)C(=O)OCC,"InChI=1/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3",C8H10F4O4,,,,,,BLZSSBPZHBFNBN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.882,204-269-7,118-69-4,"2,6-dichlorotoluene","1,3-dichloro-2-methylbenzene",Cc1c(Cl)cccc1Cl,Cc1c(Cl)cccc1Cl,"InChI=1/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3",C7H6Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13588,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.882,DMEDNTFWIHCBRK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.884,204-271-8,118-71-8,3-hydroxy-2-methyl-4-pyrone,3-hydroxy-2-methyl-4H-pyran-4-one,CC1=C(O)C(=O)C=CO1,CC1=C(O)C(=O)C=CO1,"InChI=1/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",C6H6O3,,,,,,XPCTZQVDEJYUGT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.885,204-272-3,118-72-9,"2,6-dimethylbenzenethiol","2,6-dimethylbenzenethiol",Cc1cccc(C)c1S,Cc1cccc(C)c1S,"InChI=1/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",C8H10S,,,,,,QCLJODDRBGKIRW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.890,204-278-6,118-79-6,"2,4,6-tribromophenol","2,4,6-tribromophenol",Oc1c(Br)cc(Br)cc1Br,Oc1c(Br)cc(Br)cc1Br,"InChI=1/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",C6H3Br3O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5191,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.890,BSWWXRFVMJHFBN-UHFFFAOYSA-N,Negative,,,,,,SM816753,[M-H]-,HCD35,326.7662:266.7534,CASMI_2016
100.003.895,204-283-3,118-89-8,"2,5-dichloro-4-hydrazinobenzenesulphonic acid","2,5-dichloro-4-hydrazinobenzenesulfonic acid",NNc1cc(Cl)c(cc1Cl)S(=O)(=O)O,NNc1cc(Cl)c(cc1Cl)S(=O)(=O)O,"InChI=1/C6H6Cl2N2O3S/c7-3-2-6(14(11,12)13)4(8)1-5(3)10-9/h1-2,10H,9H2,(H,11,12,13)",C6H6Cl2N2O3S,,,,,,TVSCIUWLNZAPPU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.897,204-285-4,118-91-2,2-chlorobenzoic acid,2-chlorobenzoic acid,OC(=O)c1ccccc1Cl,OC(=O)c1ccccc1Cl,"InChI=1/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",C7H5ClO2,,,,,,IKCLCGXPQILATA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.904,204-293-8,119-05-1,6-methylheptyl 8-methylnonyl phthalate,6-methylheptyl 8-methylnonyl phthalate,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,"InChI=1/C26H42O4/c1-21(2)15-9-6-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3",C26H42O4,,,,,,DISOBDRLYQMQDY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.906,204-295-9,119-07-3,Decyl octyl phthalate,decyl octyl phthalate,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,"InChI=1/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3",C26H42O4,,,,,,LVAGMBHLXLZJKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.026,205-528-7,142-22-3,"Diallyl 2,2'-oxydiethyl dicarbonate","diallyl oxydiethane-2,1-diyl biscarbonate",C=CCOC(=O)OCCOCCOC(=O)OCC=C,C=CCOC(=O)OCCOCCOC(=O)OCC=C,"InChI=1/C12H18O7/c1-3-5-16-11(13)18-9-7-15-8-10-19-12(14)17-6-4-2/h3-4H,1-2,5-10H2",C12H18O7,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2144,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.026,JHQVCQDWGSXTFE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.027,205-529-2,142-25-6,Dimethyl(2-(methylamino)ethyl)amine,"N,N,N'-trimethylethane-1,2-diamine",CNCCN(C)C,CNCCN(C)C,"InChI=1/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3",C5H14N2,,,,,,HVOYZOQVDYHUPF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.029,205-531-3,142-28-9,"1,3-dichloropropane","1,3-dichloropropane",ClCCCCl,ClCCCCl,InChI=1/C3H6Cl2/c4-2-1-3-5/h1-3H2,C3H6Cl2,,,,,,YHRUOJUYPBUZOS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.032,205-535-5,142-31-4,Sodium octyl sulphate,sodium octyl sulfate,[Na+].CCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCOS(=O)(=O)[O-],"InChI=1/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1",C8H18O4S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12701,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.032,WFRKJMRGXGWHBM-UHFFFAOYSA-M,,,,,,,,,,,
100.005.038,205-541-8,142-54-1,N-(2-hydroxypropyl)dodecanamide,N-(2-hydroxypropyl)dodecanamide,CCCCCCCCCCCC(=O)NCC(C)O,CCCCCCCCCCCC(=O)NCC(C)O,"InChI=1/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14(2)17/h14,17H,3-13H2,1-2H3,(H,16,18)",C15H31NO2,,,,,,MMBILEWCGWTAOV-UHFFFAOYSA-N,Positive,SM876601,[M+H]+,HCD35,76.0757:58.0653:258.2428,CASMI_2016,,,,,
100.005.041,205-544-4,142-57-4,Pentyl oleate,pentyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCC,"InChI=1/C23H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h12-13H,3-11,14-22H2,1-2H3",C23H44O2,,,,,,YEUKJHYLBPPSQJ-SEYXRHQNSA-N,,,,,,,,,,,
100.005.048,205-552-8,142-68-7,Tetrahydropyran,tetrahydro-2H-pyran,C1CCOCC1,C1CCOCC1,InChI=1/C5H10O/c1-2-4-6-5-3-1/h1-5H2,C5H10O,,,,,,DHXVGJBLRPWPCS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.053,205-558-0,142-76-7,2-hydroxypropyl oleate,2-hydroxypropyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(C)O,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)O,"InChI=1/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3",C21H40O3,,,,,,ZVTDEEBSWIQAFJ-KHPPLWFESA-N,,,,,,,,,,,
100.005.056,205-561-7,142-79-0,Heptanedioyl dichloride,heptanedioyl dichloride,ClC(=O)CCCCCC(=O)Cl,ClC(=O)CCCCCC(=O)Cl,InChI=1/C7H10Cl2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2,C7H10Cl2O2,,,,,,LVIMBOHJGMDKEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.057,205-562-2,142-81-4,Hexylammonium chloride,hexan-1-aminium chloride,[Cl-].CCCCCC[NH3+],[Cl-].CCCCCC[NH3+],"InChI=1/C6H15N.ClH/c1-2-3-4-5-6-7;/h2-7H2,1H3;1H",C6H15N.ClH,,,,,,XKDUZXVNQOZCFC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.059,205-564-3,142-83-6,"Hexa-2,4-dienal","hexa-2,4-dienal",CC=CC=CC=O,CC=CC=CC=O,"InChI=1/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3",C6H8O,,,,,,BATOPAZDIZEVQF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.226,203-548-0,108-08-7,"2,4-dimethylpentane","2,4-dimethylpentane",CC(C)CC(C)C,CC(C)CC(C)C,"InChI=1/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3",C7H16,,,,,,BZHMBWZPUJHVEE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.235,203-558-5,108-18-9,Diisopropylamine,N-isopropylpropan-2-amine,CC(C)NC(C)C,CC(C)NC(C)C,"InChI=1/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3",C6H15N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13145,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.235,UAOMVDZJSHZZME-UHFFFAOYSA-N,,,,,,,,,,,
100.003.246,203-570-0,108-30-5,Succinic anhydride,"dihydrofuran-2,5-dione",O=C1CCC(=O)O1,O=C1CCC(=O)O1,InChI=1/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2,C4H4O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2061,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.246,RINCXYDBBGOEEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.248,203-572-1,108-32-7,Propylene carbonate,2-(carboxyoxy)-1-methylethyl carbonate,OC(=O)OCC(C)OC(=O)[O-],OC(=O)OCC(C)OC(=O)[O-],"InChI=1/C5H8O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/p-1",C4H6O3,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16088,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.248,ZEBXBLIKXVICMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.003.254,203-578-4,108-40-7,Toluene-3-thiol,3-methylbenzenethiol,Cc1cccc(S)c1,Cc1cccc(S)c1,"InChI=1/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",C7H8S,,,,,,WRXOZRLZDJAYDR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.255,203-580-5,108-41-8,3-chlorotoluene,1-chloro-3-methylbenzene,Cc1cccc(Cl)c1,Cc1cccc(Cl)c1,"InChI=1/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",C7H7Cl,,,,,,OSOUNOBYRMOXQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.257,203-582-6,108-43-0,3-chlorophenol,3-chlorophenol,Oc1cccc(Cl)c1,Oc1cccc(Cl)c1,"InChI=1/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H",C6H5ClO,,,,,,HORNXRXVQWOLPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.261,203-586-8,108-47-4,"2,4-dimethylpyridine","2,4-dimethylpyridine",Cc1ccnc(C)c1,Cc1ccnc(C)c1,"InChI=1/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3",C7H9N,,,,,,JYYNAJVZFGKDEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.262,203-587-3,108-48-5,"2,6-dimethylpyridine","2,6-dimethylpyridine",Cc1cccc(C)n1,Cc1cccc(C)n1,"InChI=1/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3",C7H9N,,,,,,OISVCGZHLKNMSJ-UHFFFAOYSA-N,Positive,SM807301,[M+H]+,HCD35,108.0807:91.0542:67.0543,CASMI_2016,,,,,
100.003.267,203-593-6,108-55-4,Glutaric anhydride,"5,5'-oxybis(5-oxopentanoic acid)",OC(=O)CCCC(=O)OC(=O)CCCC(=O)O,OC(=O)CCCC(=O)OC(=O)CCCC(=O)O,"InChI=1/C10H14O7/c11-7(12)3-1-5-9(15)17-10(16)6-2-4-8(13)14/h1-6H2,(H,11,12)(H,13,14)",C5H6O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11130,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.267,UZBATDIZBWJJKF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.268,203-594-1,108-56-5,Diethyl oxalacetate,diethyl 2-oxosuccinate,CCOC(=O)CC(=O)C(=O)OCC,CCOC(=O)CC(=O)C(=O)OCC,"InChI=1/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3",C8H12O5,,,,,,JDXYSCUOABNLIR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.271,203-597-8,108-59-8,Dimethyl malonate,dimethyl malonate,COC(=O)CC(=O)OC,COC(=O)CC(=O)OC,"InChI=1/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3",C5H8O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13470,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.271,BEPAFCGSDWSTEL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.274,203-600-2,108-62-3,"2,4,6,8-tetramethyl-1,3,5,7-tetraoxacyclooctane","2,4,6,8-tetramethyl-1,3,5,7-tetroxocane",CC1OC(C)OC(C)OC(C)O1,CC1OC(C)OC(C)OC(C)O1,"InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3",C8H16O4,,,,,,GKKDCARASOJPNG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.280,203-607-0,108-69-0,"3,5-xylidine","3,5-dimethylaniline",Cc1cc(C)cc(N)c1,Cc1cc(C)cc(N)c1,"InChI=1/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3",C8H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12529,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.280,MKARNSWMMBGSHX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.281,203-608-6,108-70-3,"1,3,5-trichlorobenzene","1,3,5-trichlorobenzene",Clc1cc(Cl)cc(Cl)c1,Clc1cc(Cl)cc(Cl)c1,InChI=1/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H,C6H3Cl3,,,,,,XKEFYDZQGKAQCN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.282,203-609-1,108-71-4,"Toluene-3,5-diamine","5-methylbenzene-1,3-diamine",Cc1cc(N)cc(N)c1,Cc1cc(N)cc(N)c1,"InChI=1/C7H10N2/c1-5-2-6(8)4-7(9)3-5/h2-4H,8-9H2,1H3",C7H10N2,,,,,,LVNDUJYMLJDECN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.283,203-610-7,108-72-5,"Benzene-1,3,5-triamine","benzene-1,3,5-triamine",Nc1cc(N)cc(N)c1,Nc1cc(N)cc(N)c1,"InChI=1/C6H9N3/c7-4-1-5(8)3-6(9)2-4/h1-3H,7-9H2",C6H9N3,,,,,,RPHKINMPYFJSCF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.287,203-614-9,108-77-0,"2,4,6-trichloro-1,3,5-triazine","2,4,6-trichloro-1,3,5-triazine",Clc1nc(Cl)nc(Cl)n1,Clc1nc(Cl)nc(Cl)n1,InChI=1/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1,C3Cl3N3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14952,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.287,MGNCLNQXLYJVJD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.405,203-744-6,110-18-9,"N,N,N',N'-tetramethylethylenediamine","N,N,N',N'-tetramethylethane-1,2-diamine",CN(C)CCN(C)C,CN(C)CCN(C)C,"InChI=1/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3",C6H16N2,,,,,,KWYHDKDOAIKMQN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.407,203-746-7,110-20-3,Acetone semicarbazone,acetone semicarbazone,CC(=NNC(=O)N)C,CC(=NNC(=O)N)C,"InChI=1/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)",C4H9N3O,,,,,,HQDAJGNZGNZGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.408,203-747-2,110-21-4,"1,1-hydrazoformamide","hydrazine-1,2-dicarboxamide",NC(=O)NNC(=O)N,NC(=O)NNC(=O)N,"InChI=1/C2H6N4O2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)",C2H6N4O2,,,,,,ULUZGMIUTMRARO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.901,204-290-1,118-97-8,"4-chloro-3,5-dinitrobenzoic acid","4-chloro-3,5-dinitrobenzoic acid",OC(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)",C7H3ClN2O6,,,,,,PCTFIHOVQYYAMH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.910,204-300-4,119-15-3,"4-(2,4-dinitroanilino)phenol","4-[(2,4-dinitrophenyl)amino]phenol",Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,"InChI=1/C12H9N3O5/c16-10-4-1-8(2-5-10)13-11-6-3-9(14(17)18)7-12(11)15(19)20/h1-7,13,16H",C12H9N3O5,,,,,,BCPQALWAROJVLE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.914,204-305-1,119-19-7,6-anilino-4-hydroxynaphthalene-2-sulphonic acid,6-anilino-4-hydroxynaphthalene-2-sulfonic acid,Oc1cc(cc2ccc(Nc3ccccc3)cc12)S(=O)(=O)O,Oc1cc(cc2ccc(Nc3ccccc3)cc12)S(=O)(=O)O,"InChI=1/C16H13NO4S/c18-16-10-14(22(19,20)21)8-11-6-7-13(9-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)",C16H13NO4S,,,,,,QEAYLNJEDDOYNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.915,204-306-7,119-21-1,"1-chloro-2,4-dimethoxy-5-nitrobenzene","1-chloro-2,4-dimethoxy-5-nitrobenzene",COc1cc(OC)c(cc1Cl)[N+](=O)[O-],COc1cc(OC)c(cc1Cl)[N+](=O)[O-],"InChI=1/C8H8ClNO4/c1-13-7-4-8(14-2)6(10(11)12)3-5(7)9/h3-4H,1-2H3",C8H8ClNO4,,,,,,MEIDXJUMYYOXHN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.917,204-308-8,119-23-3,"1,4-diethoxy-2-nitrobenzene","1,4-diethoxy-2-nitrobenzene",CCOc1ccc(OCC)c(c1)[N+](=O)[O-],CCOc1ccc(OCC)c(c1)[N+](=O)[O-],"InChI=1/C10H13NO4/c1-3-14-8-5-6-10(15-4-2)9(7-8)11(12)13/h5-7H,3-4H2,1-2H3",C10H13NO4,,,,,,AUCRWWWSFGZHBK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.028,205-530-8,142-26-7,N-2-hydroxyethylacetamide,N-(2-hydroxyethyl)acetamide,CC(=O)NCCO,CC(=O)NCCO,"InChI=1/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)",C4H9NO2,,,,,,PVCJKHHOXFKFRP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.034,205-537-6,142-46-1,Hydrazodicarbothioamide,"hydrazine-1,2-dicarbothioamide",NC(=S)NNC(=S)N,NC(=S)NNC(=S)N,"InChI=1/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)",C2H6N4S2,,,,,,KCOYHFNCTWXETP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.037,205-540-2,142-50-7,Nerolidol,"3,7,11-trimethyldodeca-1,6,10-trien-3-ol",C/C(C)=C\\CCC(\\C)=C/CC[C@](C)(O)C=C,C/C(C)=C\CCC(\C)=C/CC[C@](C)(O)C=C,"InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3",C15H26O,,,,,,FQTLCLSUCSAZDY-QKXCFHHRSA-N,,,,,,,,,,,
100.005.039,205-542-3,142-55-2,2-hydroxypropyl laurate,2-hydroxypropyl laurate,CCCCCCCCCCCC(=O)OCC(C)O,CCCCCCCCCCCC(=O)OCC(C)O,"InChI=1/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3",C15H30O3,,,,,,BHIZVZJETFVJMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.040,205-543-9,142-56-3,2-hydroxypropyl ricinoleate,2-hydroxypropyl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCC(C)O,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(C)O,"InChI=1/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3",C21H40O4,,,,,,JZSMZIOJUHECHW-GTJZZHROSA-N,,,,,,,,,,,
100.005.045,205-549-1,142-61-0,Hexanoyl chloride,hexanoyl chloride,CCCCCC(=O)Cl,CCCCCC(=O)Cl,"InChI=1/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3",C6H11ClO,,,,,,YWGHUJQYGPDNKT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.047,205-551-2,142-64-3,Piperazine dihydrochloride,piperazine dihydrochloride,Cl.Cl.C1CNCCN1,Cl.Cl.C1CNCCN1,"InChI=1/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H",C4H10N2.2ClH,,,,,,CVVIJWRCGSYCMB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.050,205-554-9,142-72-3,Magnesium di(acetate),magnesium diacetate,[Mg+2].CC(=O)[O-].CC(=O)[O-],[Mg+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Mg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Mg,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13613,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.050,UEGPKNKPLBYCNK-UHFFFAOYSA-L,,,,,,,,,,,
100.005.058,205-563-8,142-82-5,Heptane,heptane,CCCCCCC,CCCCCCC,"InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",C7H16,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14228,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.058,IMNFDUFMRHMDMM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.060,205-565-9,142-84-7,Dipropylamine,N-propylpropan-1-amine,CCCNCCC,CCCNCCC,"InChI=1/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3",C6H15N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13819,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.060,WEHWNAOGRSTTBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.065,205-571-1,142-91-6,Isopropyl palmitate,isopropyl palmitate,CCCCCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3",C19H38O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15814,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.065,XUGNVMKQXJXZCD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.067,205-573-2,142-94-9,2-bromostearic acid,2-bromooctadecanoic acid,CCCCCCCCCCCCCCCCC(Br)C(=O)O,CCCCCCCCCCCCCCCCC(Br)C(=O)O,"InChI=1/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)",C18H35BrO2,,,,,,KRBFFJIZAKABSA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.069,205-575-3,142-96-1,Dibutyl ether,"1,1'-oxydibutane",CCCCOCCCC,CCCCOCCCC,"InChI=1/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",C8H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11808,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.069,DURPTKYDGMDSBL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.212,206-832-2,379-50-0,Fluorotriphenylsilane,fluoro(triphenyl)silane,F[Si](c1ccccc1)(c2ccccc2)c3ccccc3,F[Si](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H15FSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15FSi,,,,,,UBGXLEFOIVWVRP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.218,206-839-0,381-73-7,Difluoroacetic acid,difluoroacetic acid,OC(=O)C(F)F,OC(=O)C(F)F,"InChI=1/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)",C2H2F2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11679,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.218,PBWZKZYHONABLN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.225,206-846-9,383-07-3,2-[butyl[(heptadecafluorooctyl)sulphonyl]amino]ethyl acrylate,2-{butyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl acrylate,CCCCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCCCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C17H16F17NO4S/c1-3-5-6-35(7-8-39-9(36)4-2)40(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h4H,2-3,5-8H2,1H3",C17H16F17NO4S,,,,,,AQQNNAXBGPWALO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.227,206-849-5,383-61-9,Ethyl dichlorofluoroacetate,ethyl dichloro(fluoro)acetate,CCOC(=O)C(F)(Cl)Cl,CCOC(=O)C(F)(Cl)Cl,"InChI=1/C4H5Cl2FO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",C4H5Cl2FO2,,,,,,PPQCNDDNRAEPNU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.229,206-851-6,383-63-1,Ethyl trifluoroacetate,ethyl trifluoroacetate,CCOC(=O)C(F)(F)F,CCOC(=O)C(F)(F)F,"InChI=1/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",C4H5F3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10724,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.229,STSCVKRWJPWALQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.231,206-853-7,383-67-5,Allyl trifluoroacetate,allyl trifluoroacetate,FC(F)(F)C(=O)OCC=C,FC(F)(F)C(=O)OCC=C,"InChI=1/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2",C5H5F3O2,,,,,,XIVPVSIDXBTZLM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.235,206-857-9,386-17-4,"3,3-bis(4-hydroxy-3,5-diiodophenyl)phthalide","3,3-bis(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1(3H)-one",Oc1c(I)cc(cc1I)C2(OC(=O)c3ccccc23)c4cc(I)c(O)c(I)c4,Oc1c(I)cc(cc1I)C2(OC(=O)c3ccccc23)c4cc(I)c(O)c(I)c4,"InChI=1/C20H10I4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H",C20H10I4O4,,,,,,FWQKRBDABCRWKV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.236,206-858-4,387-41-7,"2,6-dichlorobenzenediazonium tetrafluoroborate","2,6-dichlorobenzenediazonium tetrafluoroborate",F[B-](F)(F)F.Clc1cccc(Cl)c1[N+]#N,F[B-](F)(F)F.Clc1cccc(Cl)c1[N+]#N,"InChI=1/C6H3Cl2N2.BF4/c7-4-2-1-3-5(8)6(4)10-9;2-1(3,4)5/h1-3H;/q+1;-1",C6H3Cl2N2.BF4,,,,,,SRGRGNRKFZLMBT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.241,206-864-7,389-08-2,Nalidixic acid,"1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12,CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12,"InChI=1/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",C12H12N2O3,,,,,,MHWLWQUZZRMNGJ-UHFFFAOYSA-N,Positive,mzcloud:1657,[M+H]+,HCD_Averaged,215.08151:205.0607:187.05020:159.05529:131.06039:105.0447:104.04946:96.0444:95.04915:77.03858:77.03858:63.02292:53.03838:51.02293,HighChem,,,,,
100.005.377,205-914-5,206-49-5,7-azafluoranthene,"acenaphtho[1,2-b]pyridine",c1cnc2c(c1)c3cccc4cccc2c34,c1cnc2c(c1)c3cccc4cccc2c34,InChI=1/C15H9N/c1-4-10-5-2-7-13-14(10)11(6-1)12-8-3-9-16-15(12)13/h1-9H,C15H9N,,,,,,XJWJTIKXJYAHBE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.378,205-915-0,206-56-4,1-azafluoranthene,"indeno[1,2,3-ij]isoquinoline",c1ccc2c(c1)c3cccc4ccnc2c34,c1ccc2c(c1)c3cccc4ccnc2c34,InChI=1/C15H9N/c1-2-6-13-11(5-1)12-7-3-4-10-8-9-16-15(13)14(10)12/h1-9H,C15H9N,,,,,,XQNXAFHTOWJFTR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.380,205-917-1,208-96-8,Acenaphthylene,acenaphthylene,C1=Cc2cccc3cccc1c23,C1=Cc2cccc3cccc1c23,InChI=1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H,C12H8,,,,,,HXGDTGSAIMULJN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.381,205-918-7,213-46-7,Picene,picene,c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34,c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34,InChI=1/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H,C22H14,,,,,,GBROPGWFBFCKAG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.384,205-921-3,217-37-8,Benzo[c]picene,benzo[c]picene,c1ccc2c(c1)ccc3c2ccc4c5ccc6ccccc6c5ccc34,c1ccc2c(c1)ccc3c2ccc4c5ccc6ccccc6c5ccc34,InChI=1/C26H16/c1-3-7-19-17(5-1)9-11-23-21(19)13-15-26-24-12-10-18-6-2-4-8-20(18)22(24)14-16-25(23)26/h1-16H,C26H16,,,,,,BBZGENAFADIERZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.391,205-929-7,225-11-6,Benz[a]acridine,benzo[a]acridine,c1ccc2nc3ccc4ccccc4c3cc2c1,c1ccc2nc3ccc4ccccc4c3cc2c1,InChI=1/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H,C17H11N,,,,,,JEGZRTMZYUDVBF-UHFFFAOYSA-N,Positive,SM803002;UA001001|UA001003,[M+H]+;[M+H]+,HCD35;CID35|CID35,230.0963:229.0881;230.0964:202.0777:229.0879|230.0962:231.0995:202.0778,CASMI_2016;UFZ_Additional_Specs,,,,,
100.005.393,205-931-8,225-83-2,12H-benzo[a]phenothiazine,12H-benzo[a]phenothiazine,N1c2ccccc2Sc3ccc4ccccc4c13,N1c2ccccc2Sc3ccc4ccccc4c13,"InChI=1/C16H11NS/c1-2-6-12-11(5-1)9-10-15-16(12)17-13-7-3-4-8-14(13)18-15/h1-10,17H",C16H11NS,,,,,,PGIGZWJIJSINOD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.061,205-566-4,142-86-9,Sodium hydrogen N-[2-(sulphonatooxy)ethyl]lauramidate,sodium 2-(dodecanoylamino)ethyl sulfate,CCCCCCCCCCCC(=O)NCCOS(=O)(=O)O[Na],CCCCCCCCCCCC(=O)NCCOS(=O)(=O)O[Na],"InChI=1/C14H29NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20-21(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1/rC14H28NNaO5S/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-20-22(18,19)21-16/h2-13H2,1H3,(H,15,17)",C14H29NO5S.Na,,,,,,VOARWFBIDIEJLM-UHFFFAOYSA-M,,,,,,,,,,,
100.005.062,205-568-5,142-87-0,Sodium decyl sulphate,sodium decyl sulfate,[Na+].CCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1",C10H22O4S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14294,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.062,XZTJQQLJJCXOLP-UHFFFAOYSA-M,,,,,,,,,,,
100.005.064,205-570-6,142-90-5,Dodecyl methacrylate,dodecyl methacrylate,CCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-14H2,1,3H3",C16H30O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14902,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.064,GMSCBRSQMRDRCD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.066,205-572-7,142-92-7,Hexyl acetate,hexyl acetate,CCCCCCOC(=O)C,CCCCCCOC(=O)C,"InChI=1/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",C8H16O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13766,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.066,AOGQPLXWSUTHQB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.070,205-576-9,142-98-3,Decyl hydrogen sulphate,decyl hydrogen sulfate,CCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCOS(=O)(=O)O,"InChI=1/C10H22O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H,11,12,13)",C10H22O4S,,,,,,CSMFSDCPJHNZRY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.342,205-874-9,182-99-0,2-oxaspiro[4.7]dodecane,2-oxaspiro[4.7]dodecane,C1CCCC2(CCC1)CCOC2,C1CCCC2(CCC1)CCOC2,InChI=1/C11H20O/c1-2-4-6-11(7-5-3-1)8-9-12-10-11/h1-10H2,C11H20O,,,,,,AMEKYLXXSLTPSU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.345,205-878-0,189-64-0,"Dibenzo[b,def]chrysene","dibenzo[c,pqr]tetraphene",c1ccc2c(c1)cc3ccc4c5ccccc5cc6ccc2c3c46,c1ccc2c(c1)cc3ccc4c5ccccc5cc6ccc2c3c46,InChI=1/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H,C24H14,,,,,,RXUSYFJGDZFVND-UHFFFAOYSA-N,,,,,,,,,,,
100.005.353,205-886-4,191-30-0,"Dibenzo[def,p]chrysene","naphtho[1,2,3,4-pqr]tetraphene",c1ccc2c(c1)cc3ccc4cccc5c6ccccc6c2c3c45,c1ccc2c(c1)cc3ccc4cccc5c6ccccc6c2c3c45,InChI=1/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H,C24H14,,,,,,JNTHRSHGARDABO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.362,205-896-9,195-19-7,Benzo[c]phenanthrene,benzo[c]phenanthrene,c1ccc2c(c1)ccc3ccc4ccccc4c23,c1ccc2c(c1)ccc3ccc4ccccc4c23,InChI=1/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H,C18H12,,,,,,TUAHORSUHVUKBD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.368,205-904-0,203-42-9,"Diacenaphtho[1,2-b:1',2'-d]thiophene","diacenaphtho[1,2-b:1',2'-d]thiophene",c1cc2c3sc4c5cccc6cccc(c4c3c7cccc(c1)c27)c56,c1cc2c3sc4c5cccc6cccc(c4c3c7cccc(c1)c27)c56,InChI=1/C24H12S/c1-5-13-7-3-11-17-19(13)15(9-1)21-22-16-10-2-6-14-8-4-12-18(20(14)16)24(22)25-23(17)21/h1-12H,C24H12S,,,,,,RSYZJSLQEJIVSN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.373,205-909-8,205-25-4,7H-benzo[c]carbazole,7H-benzo[c]carbazole,c1ccc2c(c1)ccc3[nH]c4ccccc4c23,c1ccc2c(c1)ccc3[nH]c4ccccc4c23,"InChI=1/C16H11N/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10,17H",C16H11N,,,,,,UGFOTZLGPPWNPY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.375,204-811-2,126-91-0,"(R)-3,7-dimethyl-1,6-octadien-3-ol","3,7-dimethylocta-1,6-dien-3-ol",CC(=CCC[C@@](C)(O)C=C)C,CC(=CCC[C@@](C)(O)C=C)C,"InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C10H18O,,,,,,CDOSHBSSFJOMGT-JTQLQIEISA-N,,,,,,,,,,,
100.004.384,204-821-7,127-07-1,Hydrixycarbamide,1-hydroxyurea,NC(=O)NO,NC(=O)NO,"InChI=1/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)",CH4N2O2,,,,,,VSNHCAURESNICA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.390,204-828-5,127-20-8,"Sodium 2,2-dichloropropionate","sodium 2,2-dichloropropanoate",[Na+].CC(Cl)(Cl)C(=O)[O-],[Na+].CC(Cl)(Cl)C(=O)[O-],"InChI=1/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+1/p-1",C3H4Cl2O2.Na,,,,,,PDEFQWNXOUGDJR-UHFFFAOYSA-M,,,,,,,,,,,
100.005.084,205-592-6,143-22-6,2-(2-(2-butoxyethoxy)ethoxy)ethanol,2-[2-(2-butoxyethoxy)ethoxy]ethanol,CCCCOCCOCCOCCO,CCCCOCCOCCOCCO,"InChI=1/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3",C10H22O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14102,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.084,COBPKKZHLDDMTB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.085,205-593-1,143-23-7,"7-azatridecane-1,13-diamine","N-(6-aminohexyl)hexane-1,6-diamine",NCCCCCCNCCCCCCN,NCCCCCCNCCCCCCN,"InChI=1/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2",C12H29N3,,,,,,MRNZSTMRDWRNNR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.091,205-599-4,143-33-9,Sodium cyanide,sodium cyanide,[Na+].[C-]#N,[Na+].[C-]#N,InChI=1/CN.Na/c1-2;/q-1;+1,CNNa,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15159,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.091,MNWBNISUBARLIT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.414,203-754-0,110-29-2,Decyl octyl adipate,decyl octyl adipate,CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,"InChI=1/C24H46O4/c1-3-5-7-9-11-12-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-13-10-8-6-4-2/h3-22H2,1-2H3",C24H46O4,,,,,,NWSGBTCJMJADLE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.426,203-767-1,110-43-0,Heptan-2-one,heptan-2-one,CCCCCC(=O)C,CCCCCC(=O)C,"InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3",C7H14O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10230,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.426,CATSNJVOTSVZJV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.431,203-772-9,110-49-6,2-methoxyethyl acetate,2-methoxyethyl acetate,COCCOC(=O)C,COCCOC(=O)C,"InChI=1/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3",C5H10O3,,,,,,XLLIQLLCWZCATF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.436,203-778-1,110-56-5,"1,4-dichlorobutane","1,4-dichlorobutane",ClCCCCCl,ClCCCCCl,InChI=1/C4H8Cl2/c5-3-1-2-4-6/h1-4H2,C4H8Cl2,,,,,,KJDRSWPQXHESDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.441,203-783-9,110-61-2,Succinonitrile,succinonitrile,N#CCCC#N,N#CCCC#N,InChI=1/C4H4N2/c5-3-1-2-4-6/h1-2H2,C4H4N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10008,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.441,IAHFWCOBPZCAEA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.449,203-792-8,110-69-0,Butyraldehyde oxime,butanal oxime,CCC\\C=N\\O,CCC\C=N\O,"InChI=1/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3",C4H9NO,,,,,,KGGVGTQEGGOZRN-SNAWJCMRSA-N,,,,,,,,,,,
100.003.450,203-793-3,110-70-3,"N,N'-dimethylethylenediamine","N,N'-dimethylethane-1,2-diamine",CNCCNC,CNCCNC,"InChI=1/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3",C4H12N2,,,,,,KVKFRMCSXWQSNT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.454,203-798-0,110-74-7,Propyl formate,propyl formate,CCCOC=O,CCCOC=O,"InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",C4H8O2,,,,,,KFNNIILCVOLYIR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.455,203-799-6,110-75-8,2-chloroethyl vinyl ether,(2-chloroethoxy)ethene,ClCCOC=C,ClCCOC=C,"InChI=1/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2",C4H7ClO,,,,,,DNJRKFKAFWSXSE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.456,203-801-5,110-76-9,2-ethoxyethylamine,2-ethoxyethanamine,CCOCCN,CCOCCN,"InChI=1/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3",C4H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5915,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.456,BPGIOCZAQDIBPI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.733,203-005-8,102-09-0,Diphenyl carbonate,diphenyl carbonate,O=C(Oc1ccccc1)Oc2ccccc2,O=C(Oc1ccccc1)Oc2ccccc2,InChI=1/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,C13H10O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15019,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.733,ROORDVPLFPIABK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.736,203-008-4,102-16-9,Benzyl phenylacetate,benzyl phenylacetate,O=C(Cc1ccccc1)OCc2ccccc2,O=C(Cc1ccccc1)OCc2ccccc2,"InChI=1/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C15H14O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17618,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.736,MIYFJEKZLFWKLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.737,203-010-5,102-17-0,4-methoxybenzyl phenylacetate,4-methoxybenzyl phenylacetate,COc1ccc(COC(=O)Cc2ccccc2)cc1,COc1ccc(COC(=O)Cc2ccccc2)cc1,"InChI=1/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3",C16H16O3,,,,,,VCYWCSZLXMMLLE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.739,203-012-6,102-19-2,Isopentyl phenylacetate,3-methylbutyl phenylacetate,CC(C)CCOC(=O)Cc1ccccc1,CC(C)CCOC(=O)Cc1ccccc1,"InChI=1/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",C13H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17466,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.739,QWBQBUWZZBUFHN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.740,203-013-1,102-20-5,Phenethyl phenylacetate,2-phenylethyl phenylacetate,O=C(Cc1ccccc1)OCCc2ccccc2,O=C(Cc1ccccc1)OCCc2ccccc2,"InChI=1/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2",C16H16O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16844,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.740,ZOZIRNMDEZKZHM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.745,203-018-9,102-26-1,"2,4,6-triethylhexahydro-1,3,5-triazine","2,4,6-triethyl-1,3,5-triazinane",CCC1NC(CC)NC(CC)N1,CCC1NC(CC)NC(CC)N1,"InChI=1/C9H21N3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-12H,4-6H2,1-3H3",C9H21N3,,,,,,BAPJNTSMYWUXMK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.752,203-026-2,102-36-3,"3,4-dichlorophenyl isocyanate","1,2-dichloro-4-isocyanatobenzene",Clc1ccc(cc1Cl)N=C=O,Clc1ccc(cc1Cl)N=C=O,InChI=1/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H,C7H3Cl2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12087,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.752,MFUVCHZWGSJKEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.753,203-027-8,102-39-6,m-phenylenedioxydi(acetic acid),"2,2'-[1,3-phenylenebis(oxy)]diacetic acid",OC(=O)COc1cccc(OCC(=O)O)c1,OC(=O)COc1cccc(OCC(=O)O)c1,"InChI=1/C10H10O6/c11-9(12)5-15-7-2-1-3-8(4-7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",C10H10O6,,,,,,ZVMAGJJPTALGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.757,203-032-5,102-46-5,4-(chloromethyl)-o-xylene,"4-(chloromethyl)-1,2-dimethylbenzene",Cc1ccc(CCl)cc1C,Cc1ccc(CCl)cc1C,"InChI=1/C9H11Cl/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3",C9H11Cl,,,,,,UBQRAAXAHIKWRI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.759,203-034-6,102-48-7,"3,4-dimethylbenzylamine","1-(3,4-dimethylphenyl)methanamine",Cc1ccc(CN)cc1C,Cc1ccc(CN)cc1C,"InChI=1/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3",C9H13N,,,,,,PXNRCZQMDSDSHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.760,203-035-1,102-49-8,"3,4-dichlorobenzylamine","1-(3,4-dichlorophenyl)methanamine",NCc1ccc(Cl)c(Cl)c1,NCc1ccc(Cl)c(Cl)c1,"InChI=1/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2",C7H7Cl2N,,,,,,IXHNFOOSLAWRBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.071,205-577-4,143-00-0,Bis(2-hydroxyethyl)ammonium decyl sulphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium decyl sulfate,CCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,CCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,"InChI=1/C10H22O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;6-3-1-5-2-4-7/h2-10H2,1H3,(H,11,12,13);5-7H,1-4H2",C12H26O4S.C4H11NO2,,,,,,HOWCFKIBHGUVKK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.072,205-579-5,143-02-2,Hexadecyl hydrogen sulphate,hexadecyl hydrogen sulfate,CCCCCCCCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCCCCCCCOS(=O)(=O)O,"InChI=1/C16H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H,17,18,19)",C16H34O4S,,,,,,LPTIRUACFKQDHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.075,205-582-1,143-07-7,Lauric acid,lauric acid,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O,"InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",C12H24O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15262,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.075,POULHZVOKOAJMA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.346,205-879-6,189-96-8,Benzo[pqr]picene,benzo[pqr]picene,c1ccc2c(c1)ccc3c4ccc5cccc6ccc(cc23)c4c56,c1ccc2c(c1)ccc3c4ccc5cccc6ccc(cc23)c4c56,InChI=1/C24H14/c1-2-7-19-15(4-1)10-12-20-21-13-11-17-6-3-5-16-8-9-18(14-22(19)20)24(21)23(16)17/h1-14H,C24H14,,,,,,VOIIGLOUBINLKK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.348,205-881-7,191-07-1,Coronene,coronene,c1cc2ccc3ccc4ccc5ccc6ccc1c7c6c5c4c3c27,c1cc2ccc3ccc4ccc5ccc6ccc1c7c6c5c4c3c27,InChI=1/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H,C24H12,,,,,,VPUGDVKSAQVFFS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.349,205-882-2,191-13-9,Pyranthrene,pyranthrene,c1ccc2c(c1)cc3ccc4cc5c6ccccc6cc7ccc8cc2c3c4c8c57,c1ccc2c(c1)cc3ccc4cc5c6ccccc6cc7ccc8cc2c3c4c8c57,InChI=1/C30H16/c1-3-7-23-17(5-1)13-19-9-11-22-16-26-24-8-4-2-6-18(24)14-20-10-12-21-15-25(23)27(19)29(22)30(21)28(20)26/h1-16H,C30H16,,,,,,LNKHTYQPVMAJSF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.354,205-888-5,191-37-7,"Naphtho[2,1,8,7-klmn]xanthene","naphtho[2,1,8,7-klmn]xanthene",O1c2cccc3ccc4ccc5cccc1c5c4c23,O1c2cccc3ccc4ccc5cccc1c5c4c23,InChI=1/C18H10O/c1-3-11-7-9-13-10-8-12-4-2-6-15-17(12)18(13)16(11)14(5-1)19-15/h1-10H,C18H10O,,,,,,UZHFDCLFBVPDGM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.356,205-890-6,191-68-4,"Dibenzo[g,p]chrysene","dibenzo[g,p]chrysene",c1ccc2c(c1)c3ccccc3c4c5ccccc5c6ccccc6c24,c1ccc2c(c1)c3ccccc3c4c5ccccc5c6ccccc6c24,InChI=1/C26H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25(21)26/h1-16H,C26H16,,,,,,GQDKQZAEQBGVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.357,205-891-1,192-65-4,"Naphtho[1,2,3,4-def]chrysene","dibenzo[f,pqr]tetraphene",c1ccc2c(c1)cc3c4ccccc4c5cccc6ccc2c3c56,c1ccc2c(c1)cc3c4ccccc4c5cccc6ccc2c3c56,InChI=1/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H,C24H14,,,,,,KGHMWBNEMFNJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.360,205-894-8,194-03-6,Benzo(l m n)phenanthridine,benzo[lmn]phenanthridine,c1cc2ccc3cccc4ncc(c1)c2c34,c1cc2ccc3cccc4ncc(c1)c2c34,InChI=1/C15H9N/c1-3-10-7-8-11-4-2-6-13-15(11)14(10)12(5-1)9-16-13/h1-9H,C15H9N,,,,,,YEELFSTYCPPLQY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.365,205-900-9,198-55-0,Perylene,perylene,c1cc2cccc3c4cccc5cccc(c(c1)c23)c45,c1cc2cccc3c4cccc5cccc(c(c1)c23)c45,InChI=1/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H,C20H12,,,,,,CSHWQDPOILHKBI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.367,205-903-5,203-12-3,Benzo[ghi]fluoranthene,benzo[ghi]fluoranthene,c1cc2c3cccc4ccc5ccc(c1)c2c5c34,c1cc2c3cccc4ccc5ccc(c1)c2c5c34,InChI=1/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H,C18H10,,,,,,YEIHPPOCKIHUQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.372,205-908-2,205-12-9,Benzo[c]fluorene,7H-benzo[c]fluorene,C1c2ccccc2c3c1ccc4ccccc34,C1c2ccccc2c3c1ccc4ccccc34,"InChI=1/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2",C17H12,,,,,,FRIJWEQBTIZQMD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.376,204-812-8,126-92-1,Sodium etasulfate,sodium 2-ethylhexyl sulfate,[Na+].CCCCC(CC)COS(=O)(=O)[O-],[Na+].CCCCC(CC)COS(=O)(=O)[O-],"InChI=1/C8H18O4S.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);/q;+1/p-1",C8H18O4S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14397,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.376,DGSDBJMBHCQYGN-UHFFFAOYSA-M,,,,,,,,,,,
100.004.380,204-817-5,126-98-7,Methacrylonitrile,methacrylonitrile,CC(=C)C#N,CC(=C)C#N,"InChI=1/C4H5N/c1-4(2)3-5/h1H2,2H3",C4H5N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11253,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.380,GYCMBHHDWRMZGG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.386,204-823-8,127-09-3,Sodium acetate,sodium acetate,[Na+].CC(=O)[O-],[Na+].CC(=O)[O-],"InChI=1/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4O2.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15311,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.386,VMHLLURERBWHNL-UHFFFAOYSA-M,,,,,,,,,,,
100.004.389,204-826-4,127-19-5,"N,N-dimethylacetamide","N,N-dimethylacetamide",CN(C)C(=O)C,CN(C)C(=O)C,InChI=1/C4H9NO/c1-4(6)5(2)3/h1-3H3,C4H9NO,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15266,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.389,FXHOOIRPVKKKFG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.081,205-588-4,143-16-8,Dihexylamine,N-hexylhexan-1-amine,CCCCCCNCCCCCC,CCCCCCNCCCCCC,"InChI=1/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3",C12H27N,,,,,,PXSXRABJBXYMFT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.399,205-938-6,232-95-1,"Naphtho[2,1-b]furan","naphtho[2,1-b]furan",o1ccc2c1ccc3ccccc23,o1ccc2c1ccc3ccccc23,InChI=1/C12H8O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-8H,C12H8O,,,,,,MFMVRILBADIIJO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.401,205-940-7,234-03-7,"Naphtho[1,2-b]furan","naphtho[1,2-b]furan",o1ccc2ccc3ccccc3c12,o1ccc2ccc3ccccc3c12,InChI=1/C12H8O/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8H,C12H8O,,,,,,BAWIKCOPJPVUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.406,205-945-4,239-01-0,Benzo[a]carbazole,11H-benzo[a]carbazole,c1ccc2c(c1)ccc3c4ccccc4[nH]c23,c1ccc2c(c1)ccc3c4ccccc4[nH]c23,"InChI=1/C16H11N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10,17H",C16H11N,,,,,,MYKQKWIPLZEVOW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.410,205-950-1,239-85-0,"13H-dibenzo[a,h]fluorene","13H-dibenzo[a,h]fluorene",C1c2cc3ccccc3cc2c4ccc5ccccc5c14,C1c2cc3ccccc3cc2c4ccc5ccccc5c14,"InChI=1/C21H14/c1-2-7-16-12-20-17(11-15(16)6-1)13-21-18-8-4-3-5-14(18)9-10-19(20)21/h1-12H,13H2",C21H14,,,,,,NKSFFULBNKIAOF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.415,205-955-9,243-42-5,"Benzo[b]naphtho[2,3-d]furan","benzo[b]naphtho[2,3-d]furan",o1c2ccccc2c3cc4ccccc4cc13,o1c2ccccc2c3cc4ccccc4cc13,InChI=1/C16H10O/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H,C16H10O,,,,,,FTMRMQALUDDFQO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.417,205-958-5,243-51-6,"11H-indeno[1,2-b]quinoline","11H-indeno[1,2-b]quinoline",C1c2ccccc2c3nc4ccccc4cc13,C1c2ccccc2c3nc4ccccc4cc13,"InChI=1/C16H11N/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15(12)17-16(13)14/h1-8,10H,9H2",C16H11N,,,,,,KUZOQBPSADEASZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.420,205-961-1,244-99-5,"5H-indeno[1,2-b]pyridine","5H-indeno[1,2-b]pyridine",C1c2ccccc2c3ncccc13,C1c2ccccc2c3ncccc13,"InChI=1/C12H9N/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H,8H2",C12H9N,,,,,,FWEHZHRUCQRSJP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.421,205-962-7,248-93-1,"13H-indeno[1,2-b]anthracene","13H-indeno[1,2-b]anthracene",C1c2ccccc2c3cc4cc5ccccc5cc4cc13,C1c2ccccc2c3cc4cc5ccccc5cc4cc13,"InChI=1/C21H14/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21/h1-10,12-13H,11H2",C21H14,,,,,,WQIFERDZMYSWOI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.423,205-964-8,253-66-7,Cinnoline,cinnoline,c1ccc2nnccc2c1,c1ccc2nnccc2c1,InChI=1/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H,C8H6N2,,,,,,WCZVZNOTHYJIEI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.425,205-966-9,254-27-3,"4H-1,3-benzodioxin","4H-1,3-benzodioxine",C1OCc2ccccc2O1,C1OCc2ccccc2O1,"InChI=1/C8H8O2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4H,5-6H2",C8H8O2,,,,,,TWSIYGATPWEKBK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.434,205-976-3,267-48-1,"5H-1,3-dioxolo[4,5-f]indole","5H-[1,3]dioxolo[4,5-f]indole",C1Oc2cc3cc[nH]c3cc2O1,C1Oc2cc3cc[nH]c3cc2O1,"InChI=1/C9H7NO2/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-4,10H,5H2",C9H7NO2,,,,,,HXCHORPNRVSDCD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.439,205-982-6,271-89-6,Benzofuran,1-benzofuran,o1ccc2ccccc12,o1ccc2ccccc12,InChI=1/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H,C8H6O,,,,,,IANQTJSKSUMEQM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.441,205-984-7,272-14-0,"Thieno[3,2-c]pyridine","thieno[3,2-c]pyridine",c1cc2sccc2cn1,c1cc2sccc2cn1,InChI=1/C7H5NS/c1-3-8-5-6-2-4-9-7(1)6/h1-5H,C7H5NS,,,,,,MKYRMMMSZSVIGD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.444,205-987-3,273-21-2,"Pyrido[2,3-d]imidazole","3H-imidazo[4,5-b]pyridine",c1cnc2[nH]cnc2c1,c1cnc2[nH]cnc2c1,"InChI=1/C6H5N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4H,(H,7,8,9)",C6H5N3,,,,,,GAMYYCRTACQSBR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.446,205-989-4,273-77-8,"1,2,3-benzothiadiazole","1,2,3-benzothiadiazole",c1ccc2snnc2c1,c1ccc2snnc2c1,InChI=1/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4H,C6H4N2S,,,,,,FNQJDLTXOVEEFB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.447,205-991-5,274-07-7,"1,3,2-benzodioxaborole","1,3,2-benzodioxaborole",B1Oc2ccccc2O1,B1Oc2ccccc2O1,"InChI=1/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H",C6H5BO2,,,,,,CENMEJUYOOMFFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.448,205-992-0,274-09-9,"1,3-benzodioxolane","1,3-benzodioxole",C1Oc2ccccc2O1,C1Oc2ccccc2O1,"InChI=1/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2",C7H6O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6236,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.448,FTNJQNQLEGKTGD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.450,205-994-1,278-06-8,"Tetracyclo[2.2.1.02,6.03,5]heptane","tetracyclo[3.2.0.0~2,7~.0~4,6~]heptane",C1C2C3C4C1C4C23,C1C2C3C4C1C4C23,"InChI=1/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2",C7H8,,,,,,DGZUEIPKRRSMGK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.451,205-995-7,278-74-0,"3-oxatricyclo[3.2.1.02,4]octane","3-oxatricyclo[3.2.1.0~2,4~]octane",C1CC2CC1C3OC23,C1CC2CC1C3OC23,"InChI=1/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2",C7H10O,,,,,,OHNNZOOGWXZCPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.453,205-997-8,279-27-6,1-azabicyclo[2.2.1]heptane,1-azabicyclo[2.2.1]heptane,C1CN2CCC1C2,C1CN2CCC1C2,"InChI=1/C6H11N/c1-3-7-4-2-6(1)5-7/h6H,1-5H2",C6H11N,,,,,,JVCBVWTTXCNJBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.764,203-039-3,102-54-5,Ferrocene,"iron(2+) dicyclopenta-2,4-dienide",[Fe+2].[CH-]1C=CC=C1.[CH-]2C=CC=C2,[Fe+2].[CH-]1C=CC=C1.[CH-]2C=CC=C2,InChI=1/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2,C10H10Fe,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13240,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.764,KTWOOEGAPBSYNW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.773,203-049-8,102-71-6,"2,2',2''-nitrilotriethanol","2,2',2''-nitrilotriethanol",OCCN(CCO)CCO,OCCN(CCO)CCO,"InChI=1/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2",C6H15NO3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15134,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.773,GSEJCLTVZPLZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.774,203-050-3,102-72-7,9-(sulphooxy)octadecanoic acid,9-(sulfooxy)octadecanoic acid,CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O,CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O,"InChI=1/C18H36O6S/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23)",C18H36O6S,,,,,,FISKBOUWERTLRE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.777,203-054-5,102-78-3,"4-(benzothiazol-2-ylthio)-2,6-dimethylmorpholine","2-[(2,6-dimethylmorpholin-4-yl)sulfanyl]-1,3-benzothiazole",CC1CN(CC(C)O1)Sc2nc3ccccc3s2,CC1CN(CC(C)O1)Sc2nc3ccccc3s2,"InChI=1/C13H16N2OS2/c1-9-7-15(8-10(2)16-9)18-13-14-11-5-3-4-6-12(11)17-13/h3-6,9-10H,7-8H2,1-2H3",C13H16N2OS2,,,,,,DNPSGCQXSGVQSK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.778,203-055-0,102-79-4,"2,2'-butyliminodiethanol","2,2'-(butylimino)diethanol",CCCCN(CCO)CCO,CCCCN(CCO)CCO,"InChI=1/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3",C8H19NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17804,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.778,GVNHOISKXMSMPX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.784,203-061-3,102-85-2,Tributyl phosphite,tributyl phosphite,CCCCOP(OCCCC)OCCCC,CCCCOP(OCCCC)OCCCC,"InChI=1/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3",C12H27O3P,,,,,,XTTGYFREQJCEML-UHFFFAOYSA-N,,,,,,,,,,,
100.002.785,203-062-9,102-86-3,Trihexylamine,"N,N-dihexylhexan-1-amine",CCCCCCN(CCCCCC)CCCCCC,CCCCCCN(CCCCCC)CCCCCC,"InChI=1/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",C18H39N,,,,,,DIAIBWNEUYXDNL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.474,203-820-9,110-97-4,"1,1'-iminodipropan-2-ol","1,1'-iminodipropan-2-ol",CC(O)CNCC(C)O,CC(O)CNCC(C)O,"InChI=1/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3",C6H15NO2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13889,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.474,LVTYICIALWPMFW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.485,203-832-4,111-09-1,2-methoxyethyl stearate,2-methoxyethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOC,CCCCCCCCCCCCCCCCCC(=O)OCCOC,"InChI=1/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h3-20H2,1-2H3",C21H42O3,,,,,,WWFMRRQOYPKLIM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.497,203-846-0,111-21-7,"2,2'-[ethane-1,2-diylbis(oxy)]bisethyl diacetate","ethane-1,2-diylbis(oxyethane-2,1-diyl) diacetate",CC(=O)OCCOCCOCCOC(=O)C,CC(=O)OCCOCCOCCOC(=O)C,"InChI=1/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3",C10H18O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13731,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.497,OVOUKWFJRHALDD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.498,203-847-6,111-22-8,"2,2'-[ethane-1,2-diylbis(oxy)]bisethyl dinitrate","ethane-1,2-diylbis(oxyethane-2,1-diyl) dinitrate",[O-][N+](=O)OCCOCCOCCO[N+](=O)[O-],[O-][N+](=O)OCCOCCOCCO[N+](=O)[O-],InChI=1/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2,C6H12N2O8,,,,,,AGCQZYRSTIRJFM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.501,202-751-1,99-34-3,"3,5-dinitrobenzoic acid","3,5-dinitrobenzoic acid",OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)",C7H4N2O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5821,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.501,VYWYYJYRVSBHJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.507,202-757-4,99-48-9,"p-mentha-1(6),8-dien-2-ol",5-isopropenyl-2-methylcyclohex-2-en-1-ol,CC(=C)C1CC=C(C)C(O)C1,CC(=C)C1CC=C(C)C(O)C1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C10H16O,,,,,,BAVONGHXFVOKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.511,202-762-1,99-52-5,4-nitro-o-toluidine,2-methyl-4-nitroaniline,Cc1cc(ccc1N)[N+](=O)[O-],Cc1cc(ccc1N)[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3",C7H8N2O2,,,,,,XTTIQGSLJBWVIV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.517,202-768-4,99-58-1,3-bromo-4-methoxybenzoic acid,3-bromo-4-methoxybenzoic acid,COc1ccc(cc1Br)C(=O)O,COc1ccc(cc1Br)C(=O)O,"InChI=1/C8H7BrO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)",C8H7BrO3,,,,,,BBPZABXVRBFWGD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.518,202-770-5,99-59-2,5-nitro-o-anisidine,2-methoxy-5-nitroaniline,COc1ccc(cc1N)[N+](=O)[O-],COc1ccc(cc1N)[N+](=O)[O-],"InChI=1/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3",C7H8N2O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10119,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.518,NIPDVSLAMPAWTP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.522,202-774-7,99-63-8,Isophthaloyl dichloride,isophthaloyl dichloride,ClC(=O)c1cccc(c1)C(=O)Cl,ClC(=O)c1cccc(c1)C(=O)Cl,InChI=1/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,C8H4Cl2O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13191,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.522,FDQSRULYDNDXQB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.527,202-779-4,99-69-4,N-(2-carboxyethyl)-N-nitro-ß-alanine,"3,3'-(nitroimino)dipropanoic acid",OC(=O)CCN(CCC(=O)O)[N+](=O)[O-],OC(=O)CCN(CCC(=O)O)[N+](=O)[O-],"InChI=1/C6H10N2O6/c9-5(10)1-3-7(8(13)14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)",C6H10N2O6,,,,,,MXPYFZODOSRODU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.086,205-594-7,143-24-8,Bis(2-(2-methoxyethoxy)ethyl) ether,"2,5,8,11,14-pentaoxapentadecane",COCCOCCOCCOCCOC,COCCOCCOCCOCCOC,"InChI=1/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3",C10H22O5,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14547,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.086,ZUHZGEOKBKGPSW-UHFFFAOYSA-N,Positive,SM883701;EQ316401|EQ316402|EQ316403|EQ316404|EQ316405|EQ316406|EQ316407|EQ316408|EQ316409,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,59.0493:103.0754:147.1016;103.0754:59.0491:147.1016|59.0491:103.0753:89.0597|59.0491:103.0753:89.0597|59.0491:103.0754:89.0597|59.0491:103.0754|59.0491:103.0753:53.0023|59.0492:53.0022|59.0492:53.0021|59.0492:53.0023,CASMI_2016;Eawag,,,,,
100.005.089,205-597-3,143-28-2,(Z)-octadec-9-enol,octadec-9-en-1-ol,CCCCCCCC\\C=C/CCCCCCCCO,CCCCCCCC\C=C/CCCCCCCCO,"InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3",C18H36O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13122,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.089,ALSTYHKOOCGGFT-KTKRTIGZSA-N,,,,,,,,,,,
100.005.098,205-607-6,143-70-4,"(5a,6ß)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol","17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@H]4O)c35,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@H]4O)c35,"InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3",C17H19NO3,,,,,,BQJCRHHNABKAKU-NOSXKOESSA-N,,,,,,,,,,,
100.005.105,205-614-4,144-11-6,Trihexyphenidyl,1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol,OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3,OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3,"InChI=1/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2",C20H31NO,,,,,,HWHLPVGTWGOCJO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.109,205-619-1,144-19-4,"2,2,4-trimethylpentane-1,3-diol","2,2,4-trimethylpentane-1,3-diol",CC(C)C(O)C(C)(C)CO,CC(C)C(O)C(C)(C)CO,"InChI=1/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3",C8H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16149,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.109,JCTXKRPTIMZBJT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.110,205-620-7,144-21-8,Disodium methylarsonate,disodium methylarsonate,[Na+].[Na+].C[As](=O)([O-])[O-],[Na+].[Na+].C[As](=O)([O-])[O-],"InChI=1/CH5AsO3.2Na/c1-2(3,4)5;;/h1H3,(H2,3,4,5);;/q;2*+1/p-2",CH5AsO3.2Na,,,,,,SDIXRDNYIMOKSG-UHFFFAOYSA-L,,,,,,,,,,,
100.005.111,205-621-2,144-24-1,DL-a-methylleucine,2-methylleucine,CC(C)CC(C)(N)C(=O)O,CC(C)CC(C)(N)C(=O)O,"InChI=1/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)",C7H15NO2,,,,,,ARSWQPLPYROOBG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.114,205-624-9,144-34-3,Selenium tetrakis(dimethyldithiocarbamate),selenium tetrakis(dimethyldithiocarbamate),[SeH4+2].[SeH4+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-],[SeH4+2].[SeH4+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-],"InChI=1/4C3H7NS2.2H4Se/c4*1-4(2)3(5)6;;/h4*1-2H3,(H,5,6);2*1H4/q;;;;2*+2/p-4",C12H24N4S8Se,,,,,,CARWOBVRTZHQDA-UHFFFAOYSA-J,,,,,,,,,,,
100.005.121,205-632-2,144-54-7,Methyldithiocarbamic acid,methylcarbamodithioic acid,CNC(=S)S,CNC(=S)S,"InChI=1/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)",C2H5NS2,,,,,,HYVVJDQGXFXBRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.122,205-633-8,144-55-8,Sodium hydrogencarbonate,sodium hydrogen carbonate,[Na+].OC(=O)[O-],[Na+].OC(=O)[O-],"InChI=1/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",CH2O3.Na,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16157,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.122,UIIMBOGNXHQVGW-UHFFFAOYSA-M,,,,,,,,,,,
100.005.124,205-635-9,144-67-2,"(3R,3R')-ß,ß-carotene-3,3'-diyl dipalmitate","beta,beta-carotene-3,3'-diyl dihexadecanoate",O=C(O[C@@H]2CC(\\C)=C(\\C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C\\C1=C(/C)C[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC1(C)C)C(C)(C)C2)CCCCCCCCCCCCCCC,O=C(O[C@@H]2CC(\C)=C(\C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C\C1=C(/C)C[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC1(C)C)C(C)(C)C2)CCCCCCCCCCCCCCC,"InChI=1/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3",C72H116O4,,,,,,XACHQDDXHDTRLX-MSXBASLCSA-N,,,,,,,,,,,
100.005.128,205-640-6,144-80-9,Sulfacetamide,N-[(4-aminophenyl)sulfonyl]acetamide,CC(=O)NS(=O)(=O)c1ccc(N)cc1,CC(=O)NS(=O)(=O)c1ccc(N)cc1,"InChI=1/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O3S,,,,,,SKIVFJLNDNKQPD-UHFFFAOYSA-N,Positive,mzcloud:1688,[M+H]+,HCD_Averaged,156.01138:108.04439:110.06005:92.0448:65.03858:68.04948:80.0495,HighChem,,,,,
100.005.129,205-641-1,144-82-1,Sulfamethizole,"4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,"InChI=1/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",C9H10N4O2S2,,,,,,VACCAVUAMIDAGB-UHFFFAOYSA-N,Positive/Negative,mzcloud:1692,[M+H]+;[M+Na]+,HCD_Averaged,65.03858:80.04948:68.04948:92.04947:108.04440:110.0600:116.02770:156.01138,HighChem,mzcloud:1692,[M-H]-,HCD_Averaged,63.9624:87.97370:103.9686:107.0377:113.0053:131.04889:132.05672:155.00463:156.01247:187.98452:196.0186,HighChem
100.005.135,205-647-4,145-13-1,Pregnenolone,3-hydroxypregn-5-en-20-one,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3",C21H32O2,,,,,,ORNBQBCIOKFOEO-QGVNFLHTSA-N,,,,,,,,,,,
100.005.455,205-999-9,280-57-9,"1,4-diazabicyclooctane","1,4-diazabicyclo[2.2.2]octane",C1CN2CCN1CC2,C1CN2CCN1CC2,InChI=1/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2,C6H12N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13591,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.455,IMNIMPAHZVJRPE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.457,206-001-4,281-23-2,"Tricyclo[3.3.1.13,7]decane",adamantane,C1C2CC3CC(CC1C3)C2,C1C2CC3CC(CC1C3)C2,"InChI=1/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2",C10H16,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6513,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.457,ORILYTVJVMAKLC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.458,206-003-5,283-56-7,"2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane","2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane",C1CN2CCOB(OCC2)O1,C1CN2CCOB(OCC2)O1,InChI=1/C6H12BNO3/c1-4-9-7-10-5-2-8(1)3-6-11-7/h1-6H2,C6H12BNO3,,,,,,NKPKVNRBHXOADG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.461,206-006-1,285-69-8,"3,6-dioxabicyclo[3.1.0]hexane","3,6-dioxabicyclo[3.1.0]hexane",C1OCC2OC12,C1OCC2OC12,"InChI=1/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2",C4H6O2,,,,,,AIUTZIYTEUMXGG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.462,206-007-7,286-20-4,"1,2-epoxycyclohexane",7-oxabicyclo[4.1.0]heptane,C1CCC2OC2C1,C1CCC2OC2C1,"InChI=1/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2",C6H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5629,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.462,ZWAJLVLEBYIOTI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.467,206-012-4,286-99-7,"1,2-epoxycyclododecane",13-oxabicyclo[10.1.0]tridecane,C1CCCCCC2OC2CCCC1,C1CCCCCC2OC2CCCC1,"InChI=1/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2",C12H22O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18987,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.467,VLJLXEKIAALSJE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.468,206-014-5,287-23-0,Cyclobutane,cyclobutane,C1CCC1,C1CCC1,InChI=1/C4H8/c1-2-4-3-1/h1-4H2,C4H8,,,,,,PMPVIKIVABFJJI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.475,206-021-3,288-47-1,Thiazole,"1,3-thiazole",c1cscn1,c1cscn1,InChI=1/C3H3NS/c1-2-5-3-4-1/h1-3H,C3H3NS,,,,,,FZWLAAWBMGSTSO-UHFFFAOYSA-N,Positive,SM815801,[M+H]+,HCD35,86.0059:58.9951:57.9873,CASMI_2016,,,,,
100.005.478,206-025-5,289-80-5,Pyridazine,pyridazine,c1ccnnc1,c1ccnnc1,InChI=1/C4H4N2/c1-2-4-6-5-3-1/h1-4H,C4H4N2,,,,,,PBMFSQRYOILNGV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.479,206-026-0,289-95-2,Pyrimidine,pyrimidine,c1cncnc1,c1cncnc1,InChI=1/C4H4N2/c1-2-5-4-6-3-1/h1-4H,C4H4N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11327,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.479,CZPWVGJYEJSRLH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.480,206-027-6,290-37-9,Pyrazine,pyrazine,c1cnccn1,c1cnccn1,InChI=1/C4H4N2/c1-2-6-4-3-5-1/h1-4H,C4H4N2,,,,,,KYQCOXFCLRTKLS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.588,206-145-8,303-53-7,Cyclobenzaprine,"3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine",CN(C)CCC=C1c2ccccc2C=Cc3ccccc13,CN(C)CCC=C1c2ccccc2C=Cc3ccccc13,"InChI=1/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3",C20H21N,,,,,,JURKNVYFZMSNLP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.592,206-150-5,304-17-6,N-isopropylphthalimide,"2-isopropyl-1H-isoindole-1,3(2H)-dione",CC(C)N1C(=O)c2ccccc2C1=O,CC(C)N1C(=O)c2ccccc2C1=O,"InChI=1/C11H11NO2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14/h3-7H,1-2H3",C11H11NO2,,,,,,VPLDXHDOGVIETL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.593,206-151-0,304-20-1,Hydralazine hydrochloride,1-hydrazinophthalazine hydrochloride,Cl.NNc1nncc2ccccc12,Cl.NNc1nncc2ccccc12,"InChI=1/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H",C8H8N4.ClH,,,,,,ZUXNZUWOTSUBMN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.594,206-152-6,304-21-2,Harmaline,"7-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline",COc1ccc2c3CCN=C(C)c3[nH]c2c1,COc1ccc2c3CCN=C(C)c3[nH]c2c1,"InChI=1/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3",C13H14N2O,,,,,,RERZNCLIYCABFS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.605,206-164-1,305-33-9,Iproniazid phosphate,N'-isopropylisonicotinohydrazide phosphate,O=C(NNC(C)C)c1ccncc1.OP(O)(=O)O,O=C(NNC(C)C)c1ccncc1.OP(O)(=O)O,"InChI=1/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4)",C9H13N3O.H3O4P,,,,,,YPDVTKJXVHYWFY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.606,206-165-7,305-53-3,Sodium iodoacetate,sodium iodoacetate,[Na+].[O-]C(=O)CI,[Na+].[O-]C(=O)CI,"InChI=1/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",C2H3IO2.Na,,,,,,AGDSCTQQXMDDCV-UHFFFAOYSA-M,,,,,,,,,,,
100.005.609,206-168-3,305-80-6,4-diazobenzenesulphonic acid,"4-diazocyclohexa-2,5-diene-1-sulfonic acid",OS(=O)(=O)C1C=CC(=[N+]=[N-])C=C1,OS(=O)(=O)C1C=CC(=[N+]=[N-])C=C1,"InChI=1/C6H6N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4,6H,(H,9,10,11)",C6H4N2O3S,,,,,,WAFZRGBUSMNXEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.622,206-183-5,306-37-6,"1,2-dimethylhydrazine dihydrochloride","1,2-dimethylhydrazine dihydrochloride",Cl.Cl.CNNC,Cl.Cl.CNNC,"InChI=1/C2H8N2.2ClH/c1-3-4-2;;/h3-4H,1-2H3;2*1H",C2H8N2.2ClH,,,,,,WLDRFJDGKMTPPV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.624,206-185-6,306-52-5,Triclofos,"2,2,2-trichloroethyl dihydrogen phosphate",OP(=O)(O)OCC(Cl)(Cl)Cl,OP(=O)(O)OCC(Cl)(Cl)Cl,"InChI=1/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)",C2H4Cl3O4P,,,,,,YYQRGCZGSFRBAM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.092,205-600-8,143-36-2,Iodomethylmercury,iodo(methyl)mercury,I[Hg]C,I[Hg]C,InChI=1/CH3.Hg.HI/h1H3;;1H/q;+1;/p-1/rCH3HgI/c1-2-3/h1H3,CH3HgI,,,,,,JVDIOYBHEYUIBM-UHFFFAOYSA-M,,,,,,,,,,,
100.005.093,205-601-3,143-50-0,Chlordecone,"1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one",ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,"InChI=1/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20",C10Cl10O,,,,,,LHHGDZSESBACKH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.100,205-609-7,143-74-8,Phenol red,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol",Oc1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)cc4,Oc1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)cc4,"InChI=1/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H",C19H14O5S,,,,,,BELBBZDIHDAJOR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.101,205-610-2,143-76-0,Calcium bis[5-(1-cyclohexen-1-yl)-5-ethylbarbiturate],"calcium bis(5-cyclohex-1-en-1-yl-5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate)",[Ca+2].CCC1(C(=O)NC(=NC1=O)[O-])C2=CCCCC2.CCC3(C(=O)NC(=NC3=O)[O-])C4=CCCCC4,[Ca+2].CCC1(C(=O)NC(=NC1=O)[O-])C2=CCCCC2.CCC3(C(=O)NC(=NC3=O)[O-])C4=CCCCC4,"InChI=1/2C12H16N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2",C12H16N2O3.1/2Ca,,,,,,LQOCSNZFBLPUID-UHFFFAOYSA-L,,,,,,,,,,,
100.005.106,205-616-5,144-12-7,Tiemonium iodide,4-[3-hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methylmorpholin-4-ium iodide,[I-].C[N+]1(CCC(O)(c2ccccc2)c3cccs3)CCOCC1,[I-].C[N+]1(CCC(O)(c2ccccc2)c3cccs3)CCOCC1,"InChI=1/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1",C18H24NO2S.I,,,,,,IOFXEUZPIIUQAG-UHFFFAOYSA-M,,,,,,,,,,,
100.005.107,205-617-0,144-15-0,"Tris(2-ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate","tris(2-ethylhexyl) 2-acetoxypropane-1,2,3-tricarboxylate",CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(OC(=O)C)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(OC(=O)C)C(=O)OCC(CC)CCCC,"InChI=1/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3",C32H58O8,Full,Individual,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/6763,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.107,FRDNONBEXWDRDM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.108,205-618-6,144-16-1,"5-oxo-1,3-dioxolan-4-ylidenedi(acetic acid)","2,2'-(5-oxo-1,3-dioxolane-4,4-diyl)diacetic acid",OC(=O)CC1(CC(=O)O)OCOC1=O,OC(=O)CC1(CC(=O)O)OCOC1=O,"InChI=1/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11)",C7H8O7,,,,,,PXPMCAKTYKAROX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.112,205-622-8,144-29-6,Tripiperazine dicitrate,"piperazine 2-hydroxypropane-1,2,3-tricarboxylate (3:2) (salt)",OC(=O)CC(O)(CC(=O)O)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O.C1CNCCN1.C2CNCCN2.C3CNCCN3,OC(=O)CC(O)(CC(=O)O)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O.C1CNCCN1.C2CNCCN2.C3CNCCN3,"InChI=1/2C6H8O7.3C4H10N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2",C6H8O7.3/2C4H10N2,,,,,,JDDHUROHDHPVIO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.116,205-627-5,144-39-8,Linalyl propionate,"1,5-dimethyl-1-vinylhex-4-en-1-yl propionate",CCC(=O)OC(C)(CCC=C(C)C)C=C,CCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3",C13H22O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17996,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.116,WAQIIHCCEMGYKP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.117,205-628-0,144-41-2,Morphothion,"O,O-dimethyl S-(2-morpholin-4-yl-2-oxoethyl) dithiophosphate",COP(=S)(OC)SCC(=O)N1CCOCC1,COP(=S)(OC)SCC(=O)N1CCOCC1,"InChI=1/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3",C8H16NO4PS2,,,,,,NTHGWXIWFHGPLK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.118,205-629-6,144-45-6,Spirgetine,1-[2-(6-azaspiro[2.5]oct-6-yl)ethyl]guanidine,NC(=N)NCCN1CCC2(CC1)CC2,NC(=N)NCCN1CCC2(CC1)CC2,"InChI=1/C10H20N4/c11-9(12)13-5-8-14-6-3-10(1-2-10)4-7-14/h1-8H2,(H4,11,12,13)",C10H20N4,,,,,,MWFKNPHAOISKKI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.127,205-639-0,144-79-6,Chloro(methyl)diphenylsilane,chloro(methyl)diphenylsilane,C[Si](Cl)(c1ccccc1)c2ccccc2,C[Si](Cl)(c1ccccc1)c2ccccc2,"InChI=1/C13H13ClSi/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",C13H13ClSi,,,,,,OJZNZOXALZKPEA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.134,205-646-9,145-12-0,Oxymesterone,"4,17-dihydroxy-17-methylandrost-4-en-3-one",C[C@]43CCC(=O)C(\\O)=C4\\CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@](C)(O)CC[C@@H]12,C[C@]43CCC(=O)C(\O)=C4\CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@](C)(O)CC[C@@H]12,"InChI=1/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3",C20H30O3,,,,,,RXXBBHGCAXVBES-XMUHMHRVSA-N,,,,,,,,,,,
100.005.141,205-654-2,145-48-2,"9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonic acid","1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Oc1cc(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)O,Oc1cc(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)O,"InChI=1/C14H8O7S/c15-8-5-9(22(19,20)21)14(18)11-10(8)12(16)6-3-1-2-4-7(6)13(11)17/h1-5,15,18H,(H,19,20,21)",C14H8O7S,,,,,,CCQSBGJULPBARL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.142,205-655-8,145-49-3,"1,5-diamino-4,8-dihydroxyanthraquinone","1,5-diamino-4,8-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,"InChI=1/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H,15-16H2",C14H10N2O4,,,,,,HSYLKWSCFRLSKB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.528,202-781-5,99-71-8,4-sec-butylphenol,4-sec-butylphenol,CCC(C)c1ccc(O)cc1,CCC(C)c1ccc(O)cc1,"InChI=1/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3",C10H14O,,,,,,ZUTYZAFDFLLILI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.534,202-787-8,99-79-6,Iofendylate,ethyl 10-(4-iodophenyl)undecanoate,CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1,CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1,"InChI=1/C19H29IO2/c1-3-22-19(21)11-9-7-5-4-6-8-10-16(2)17-12-14-18(20)15-13-17/h12-16H,3-11H2,1-2H3",C19H29IO2,,,,,,LAYLQVBQIBQVLL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.539,202-793-0,99-84-3,"p-mentha-1(7),3-diene",1-isopropyl-4-methylenecyclohexene,CC(C)C1=CCC(=C)CC1,CC(C)C1=CCC(=C)CC1,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,8H,3-5,7H2,1-2H3",C10H16,,,,,,SCWPFSIZUZUCCE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.549,202-803-3,99-94-5,p-toluic acid,4-methylbenzoic acid,Cc1ccc(cc1)C(=O)O,Cc1ccc(cc1)C(=O)O,"InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O2,,,,,,LPNBBFKOUUSUDB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.557,202-812-2,100-03-8,p-chlorobenzenesulphinic acid,4-chlorobenzenesulfinic acid,OS(=O)c1ccc(Cl)cc1,OS(=O)c1ccc(Cl)cc1,"InChI=1/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)",C6H5ClO2S,,,,,,AOQYAMDZQAEDLO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.558,202-813-8,100-04-9,"4-(N,N-dimethylamino)benzenediazonium chloride",4-(dimethylamino)benzenediazonium chloride,[Cl-].CN(C)c1ccc(cc1)[N+]#N,[Cl-].CN(C)c1ccc(cc1)[N+]#N,"InChI=1/C8H10N3.ClH/c1-11(2)8-5-3-7(10-9)4-6-8;/h3-6H,1-2H3;1H/q+1;/p-1",C8H10N3.Cl,,,,,,CCIAVEMREXZXAK-UHFFFAOYSA-M,,,,,,,,,,,
100.002.561,202-816-4,100-07-2,Anisoyl chloride,4-methoxybenzoyl chloride,COc1ccc(cc1)C(=O)Cl,COc1ccc(cc1)C(=O)Cl,"InChI=1/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",C8H7ClO2,,,,,,MXMOTZIXVICDSD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.567,202-823-2,100-15-2,N-methyl-4-nitroaniline,N-methyl-4-nitroaniline,CNc1ccc(cc1)[N+](=O)[O-],CNc1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3",C7H8N2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8211,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.567,XIFJZJPMHNUGRA-UHFFFAOYSA-N,,,,,,,,,,,
100.002.569,202-825-3,100-17-4,4-nitroanisole,1-methoxy-4-nitrobenzene,COc1ccc(cc1)[N+](=O)[O-],COc1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",C7H7NO3,,,,,,BNUHAJGCKIQFGE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.575,202-832-1,100-23-2,"N,N-dimethyl-4-nitroaniline","N,N-dimethyl-4-nitroaniline",CN(C)c1ccc(cc1)[N+](=O)[O-],CN(C)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3",C8H10N2O2,,,,,,QJAIOCKFIORVFU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.585,202-843-1,100-35-6,2-chloroethyldiethylamine,"2-chloro-N,N-diethylethanamine",CCN(CC)CCCl,CCN(CC)CCCl,"InChI=1/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3",C6H14ClN,,,,,,YMDNODNLFSHHCV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.597,202-856-2,100-48-1,Isonicotinonitrile,isonicotinonitrile,N#Cc1ccncc1,N#Cc1ccncc1,InChI=1/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H,C6H4N2,,,,,,GPHQHTOMRSGBNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.603,202-863-0,100-54-9,Nicotinonitrile,nicotinonitrile,N#Cc1cccnc1,N#Cc1cccnc1,"InChI=1/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H",C6H4N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5149,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.603,GZPHSAQLYPIAIN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.609,202-869-3,100-60-7,Cyclohexyl(methyl)amine,N-methylcyclohexanamine,CNC1CCCCC1,CNC1CCCCC1,"InChI=1/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3",C7H15N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17035,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.609,XTUVJUMINZSXGF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.612,202-873-5,100-63-0,Phenylhydrazine,phenylhydrazine,NNc1ccccc1,NNc1ccccc1,"InChI=1/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2",C6H8N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14149,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.612,HKOOXMFOFWEVGF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.618,202-879-8,100-69-6,2-vinylpyridine,2-vinylpyridine,C=Cc1ccccn1,C=Cc1ccccn1,"InChI=1/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2",C7H7N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13285,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.618,KGIGUEBEKRSTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.619,202-880-3,100-70-9,Pyridine-2-carbonitrile,pyridine-2-carbonitrile,N#Cc1ccccn1,N#Cc1ccccn1,InChI=1/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H,C6H4N2,,,,,,FFNVQNRYTPFDDP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.622,202-884-5,100-73-2,"3,4-dihydro-2H-pyran-2-carbaldehyde","3,4-dihydro-2H-pyran-2-carbaldehyde",O=CC1CCC=CO1,O=CC1CCC=CO1,"InChI=1/C6H8O2/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2",C6H8O2,,,,,,NPWYTMFWRRIFLK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.623,202-885-0,100-74-3,4-ethylmorpholine,4-ethylmorpholine,CCN1CCOCC1,CCN1CCOCC1,"InChI=1/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3",C6H13NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17727,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.623,HVCNXQOWACZAFN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.624,202-886-6,100-75-4,1-nitrosopiperidine,1-nitrosopiperidine,O=NN1CCCCC1,O=NN1CCCCC1,InChI=1/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2,C5H10N2O,,,,,,UWSDONTXWQOZFN-UHFFFAOYSA-N,Positive,EQ345301|EQ345302|EQ345303|EQ345304|EQ345305|EQ345306,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,115.0865:69.0699:70.0651|115.0865:69.0699:70.0651|115.0865:69.0699:70.0651|115.0866:69.0699:70.0651|69.0699:115.0866:53.0022|69.0699:115.0866:53.0022,Eawag,,,,,
100.002.630,202-892-9,100-83-4,3-hydroxybenzaldehyde,3-hydroxybenzaldehyde,Oc1cccc(C=O)c1,Oc1cccc(C=O)c1,"InChI=1/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H",C7H6O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17191,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.630,IAVREABSGIHHMO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.145,205-658-4,145-63-1,"8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bisnaphthalene-1,3,5-trisulphonic acid","8-[(4-methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]naphthalene-1,3,5-trisulfonic acid",Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)",C51H40N6O23S6,,,,,,FIAFUQMPZJWCLV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.157,205-672-0,146-48-5,Yohimbine,methyl 17-hydroxyyohimban-16-carboxylate,COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3",C21H26N2O3,,,,,,BLGXFZZNTVWLAY-SCYLSFHTSA-N,,,,,,,,,,,
100.005.159,205-674-1,146-56-5,Fluphenazine dihydrochloride,2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol dihydrochloride,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C22H26F3N3OS.2ClH/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;;/h1-2,4-7,16,29H,3,8-15H2;2*1H",C22H26F3N3OS.2ClH,,,,,,MBHNWCYEGXQEIT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.161,205-676-2,146-68-9,2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazolium chloride,"2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2,3-dihydro-1H-tetrazol-1-ium chloride",[Cl-].[O-][N+](=O)c1ccc(cc1)N2N=C([NH2+]N2c3ccc(I)cc3)c4ccccc4,[Cl-].[O-][N+](=O)c1ccc(cc1)N2N=C([NH2+]N2c3ccc(I)cc3)c4ccccc4,"InChI=1/C19H14IN5O2.ClH/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27;/h1-13H,(H,21,22);1H",C19H13IN5O2.Cl,,,,,,JJMQRJKPLUACSO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.182,205-699-8,147-81-9,Arabinose,D-arabinose,OC[C@@H](O)[C@@H](O)[C@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-WDCZJNDASA-N,,,,,,,,,,,
100.005.186,205-703-8,147-90-0,Morpholinium salicylate,morpholin-4-ium salicylate,Oc1ccccc1C(=O)[O-].C2COCC[NH2+]2,Oc1ccccc1C(=O)[O-].C2COCC[NH2+]2,"InChI=1/C7H6O3.C4H9NO/c8-6-4-2-1-3-5(6)7(9)10;1-3-6-4-2-5-1/h1-4,8H,(H,9,10);5H,1-4H2",C7H6O3.C4H9NO,,,,,,MECVOSKQBMPUFG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.191,205-709-0,148-04-9,"Tetrasodium benzene-1,2,4,5-tetracarboxylate","tetrasodium benzene-1,2,4,5-tetracarboxylate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-],"InChI=1/C10H6O8.4Na/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;4*+1/p-4",C10H6O8.4Na,,,,,,MUZPXEPSRLGFMT-UHFFFAOYSA-J,,,,,,,,,,,
100.005.193,205-711-1,148-24-3,Quinolin-8-ol,quinolin-8-ol,Oc1cccc2cccnc12,Oc1cccc2cccnc12,"InChI=1/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",C9H7NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8172,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.193,MCJGNVYPOGVAJF-UHFFFAOYSA-N,Positive,mzcloud:2633,[M+H]+,HCD_Averaged,129.04473:128.0495:130.0400:119.0491:118.0651:117.0573:105.0447:101.0386:95.0491:91.05424:77.03858:75.02292:65.03858:53.03858,HighChem,,,,,
100.005.201,205-720-0,148-64-1,"N-[(5-chloro-2-thienyl)methyl]-N',N'-dimethyl-N-2-pyridylethylenediamine 2-hydroxy-1,2,3-propanetricarboxylate","N-[(5-chloro-2-thienyl)methyl]-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine",CN(C)CCN(Cc1ccc(Cl)s1)c2ccccn2,CN(C)CCN(Cc1ccc(Cl)s1)c2ccccn2,"InChI=1/C14H18ClN3S/c1-17(2)9-10-18(14-5-3-4-8-16-14)11-12-6-7-13(15)19-12/h3-8H,9-11H2,1-2H3",C14H18ClN3S.C6H8O7,,,,,,XAEXSWVTEJHRMH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.202,205-721-6,148-69-6,3-(N-ethyl-m-toluidino)propiononitrile,3-[ethyl(3-methylphenyl)amino]propanenitrile,CCN(CCC#N)c1cccc(C)c1,CCN(CCC#N)c1cccc(C)c1,"InChI=1/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3",C12H16N2,,,,,,NPCCPMHHNIOSHL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.207,205-726-3,148-82-3,Melphalan,4-[bis(2-chloroethyl)amino]phenylalanine,N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O,N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O,"InChI=1/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)",C13H18Cl2N2O2,,,,,,SGDBTWWWUNNDEQ-LBPRGKRZSA-N,,,,,,,,,,,
100.005.209,205-728-4,148-87-8,3-(N-ethylanilino)propiononitrile,3-[ethyl(phenyl)amino]propanenitrile,CCN(CCC#N)c1ccccc1,CCN(CCC#N)c1ccccc1,"InChI=1/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3",C11H14N2,,,,,,WYRNRZQRKCXPLA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.213,205-733-1,149-15-5,Butacaine sulphate,3-(dibutylamino)propyl 4-aminobenzoate sulfate,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.OS(=O)(=O)O,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.OS(=O)(=O)O,"InChI=1/C18H30N2O2.H2O4S/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16;1-5(2,3)4/h8-11H,3-7,12-15,19H2,1-2H3;(H2,1,2,3,4)",C18H30N2O2.1/2H2O4S,,,,,,REAJXHWQEFYUCV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.222,205-743-6,149-57-5,2-ethylhexanoic acid,2-ethylhexanoic acid,CCCCC(CC)C(=O)O,CCCCC(CC)C(=O)O,"InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",C8H16O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14246,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.222,OBETXYAYXDNJHR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.628,206-189-8,306-67-2,"4,9-diazoniadodecamethylenediammonium tetrachloride","N,N'-bis(3-aminopropyl)butane-1,4-diamine",NCCCNCCCCNCCCN,NCCCNCCCCNCCCN,"InChI=1/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",C10H26N4.4ClH,,,,,,PFNFFQXMRSDOHW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.629,206-190-3,306-83-2,"2,2-dichloro-1,1,1-trifluoroethane","2,2-dichloro-1,1,1-trifluoroethane",FC(F)(F)C(Cl)Cl,FC(F)(F)C(Cl)Cl,"InChI=1/C2HCl2F3/c3-1(4)2(5,6)7/h1H",C2HCl2F3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12060,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.629,OHMHBGPWCHTMQE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.893,207-581-1,482-44-0,"9-(3-methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one","9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one",CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C,CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C,"InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3",C16H14O4,,,,,,OLOOJGVNMBJLLR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.896,207-584-8,482-74-6,Cryptopine,"2,3-dimethoxy-13-methyl-12,13,14,15-tetrahydro[1,3]benzodioxolo[4,5-c]benzo[g]azecin-5(6H)-one",COc1cc2CCN(C)Cc3c(CC(=O)c2cc1OC)ccc4OCOc34,COc1cc2CCN(C)Cc3c(CC(=O)c2cc1OC)ccc4OCOc34,"InChI=1/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3",C21H23NO5,,,,,,XPOJSWHIKCNLEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.901,207-590-0,483-10-3,"Methyl (16ß,17a)-17-hydroxyyohimban-16-carboxylate",methyl 17-hydroxyyohimban-16-carboxylate,COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3",C21H26N2O3,,,,,,BLGXFZZNTVWLAY-DKJBZYCGSA-N,,,,,,,,,,,
100.006.902,207-591-6,483-17-0,Cephaeline,"7',10,11-trimethoxyemetan-6'-ol",CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45,"InChI=1/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3",C28H38N2O4,,,,,,DTGZHCFJNDAHEN-OZEXIGSWSA-N,,,,,,,,,,,
100.006.927,207-619-7,485-49-4,Bicuculline,"6-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e][1,3]benzodioxol-8(6H)-one",CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45,CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45,"InChI=1/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3",C20H17NO6,,,,,,IYGYMKDQCDOMRE-ZWKOTPCHSA-N,,,,,,,,,,,
100.006.929,207-621-8,485-65-4,"(9S)-10,11-dihydrocinchonan-9-ol","10,11-dihydrocinchonan-9-ol",CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccccc34,CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccccc34,"InChI=1/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3",C19H24N2O,,,,,,WFJNHVWTKZUUTR-QAMTZSDWSA-N,,,,,,,,,,,
100.006.930,207-622-3,485-71-2,Cinchonidine,cinchonan-9-ol,O[C@H](c2ccnc1ccccc12)[C@@H]4C[C@@H]3CC[N@]4C[C@@H]3C=C,O[C@H](c2ccnc1ccccc12)[C@@H]4C[C@@H]3CC[N@]4C[C@@H]3C=C,"InChI=1/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2",C19H22N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16706,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.930,KMPWYEUPVWOPIM-KODHJQJWSA-N,,,,,,,,,,,
100.006.937,207-630-7,486-25-9,Fluoren-9-one,9H-fluoren-9-one,O=C1c2ccccc2c3ccccc13,O=C1c2ccccc2c3ccccc13,InChI=1/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,C13H8O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17788,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.937,YLQWCDOCJODRMT-UHFFFAOYSA-N,Positive,UA001101|UA001103,[M+H]+,CID35|CID35,181.0648:153.0699:152.0621|153.0698:181.0646:152.062,UFZ_Additional_Specs,,,,,
100.006.939,207-632-8,486-35-1,"7,8-dihydroxycoumarin","7,8-dihydroxy-2H-chromen-2-one",Oc1ccc2C=CC(=O)Oc2c1O,Oc1ccc2C=CC(=O)Oc2c1O,"InChI=1/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H",C9H6O4,,,,,,ATEFPOUAMCWAQS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.639,206-201-1,307-43-7,1-bromohenicosafluorodecane,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,"InChI=1/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32",C10BrF21,,,,,,JCAULFRGWRHHIG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.641,206-203-2,307-55-1,Tricosafluorododecanoic acid,tricosafluorododecanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)",C12HF23O2,,,,,,CXGONMQFMIYUJR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.649,206-212-1,307-98-2,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl acrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C11H5F15O2/c1-2-4(27)28-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2",C11H5F15O2,,,,,,YSQGYEYXKXGAQA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.651,206-214-2,308-26-9,"2,2,3,3,4,4,5,5,5-nonafluoropentyl acrylate","2,2,3,3,4,4,5,5,5-nonafluoropentyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C8H5F9O2/c1-2-4(18)19-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2",C8H5F9O2,,,,,,UOKXSSAMUUASQX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.147,205-661-0,145-74-4,8-chloronaphthalene-1-sulphonic acid,8-chloronaphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc2cccc(Cl)c12,OS(=O)(=O)c1cccc2cccc(Cl)c12,"InChI=1/C10H7ClO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,(H,12,13,14)",C10H7ClO3S,,,,,,OPFNCYFEIBUZHU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.154,205-668-9,146-37-2,Laurolinium acetate,4-amino-1-dodecyl-2-methylquinolinium acetate,CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12.CC(=O)[O-],CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12.CC(=O)[O-],"InChI=1/C22H34N2.C2H4O2/c1-3-4-5-6-7-8-9-10-11-14-17-24-19(2)18-21(23)20-15-12-13-16-22(20)24;1-2(3)4/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3;1H3,(H,3,4)",C22H35N2.C2H3O2,,,,,,WFENCVFYUBXRSH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.160,205-675-7,146-59-8,6-chloro-9-[[3-[(2-chloroethyl)ethylamino]propyl]amino]-2-methoxyacridine dihydrochloride,"N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine dihydrochloride",Cl.Cl.CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,Cl.Cl.CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,"InChI=1/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H",C21H25Cl2N3O.2ClH,,,,,,PWGOWIIEVDAYTC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.164,205-679-9,146-80-5,Xanthosine,xanthosine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=O)Nc23,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=O)Nc23,"InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)",C10H12N4O6,,,,,,UBORTCNDUKBEOP-UUOKFMHZSA-N,,,,,,,,,,,
100.005.170,205-686-7,147-20-6,Diphenylpyraline,4-(diphenylmethoxy)-1-methylpiperidine,CN1CCC(CC1)OC(c2ccccc2)c3ccccc3,CN1CCC(CC1)OC(c2ccccc2)c3ccccc3,"InChI=1/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3",C19H23NO,,,,,,OWQUZNMMYNAXSL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.171,205-687-2,147-24-0,Diphenhydramine hydrochloride,"2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride",Cl.CN(C)CCOC(c1ccccc1)c2ccccc2,Cl.CN(C)CCOC(c1ccccc1)c2ccccc2,"InChI=1/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H",C17H21NO.ClH,,,,,,PCHPORCSPXIHLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.172,205-688-8,147-47-7,"1,2-dihydro-2,2,4-trimethylquinoline","2,2,4-trimethyl-1,2-dihydroquinoline",CC1=CC(C)(C)Nc2ccccc12,CC1=CC(C)(C)Nc2ccccc12,"InChI=1/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3",C12H15N,,,,,,ZNRLMGFXSPUZNR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.187,205-704-3,147-93-3,2-mercaptobenzoic acid,2-sulfanylbenzoic acid,OC(=O)c1ccccc1S,OC(=O)c1ccccc1S,"InChI=1/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)",C7H6O2S,,,,,,NBOMNTLFRHMDEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.195,205-713-2,148-39-0,N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-5-methylphenyl]acetamide,N-{2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methylphenyl}acetamide,Oc2c(cc(C)cc2N=Nc1cc(ccc1O)[N+]([O-])=O)NC(C)=O,Oc2c(cc(C)cc2N=Nc1cc(ccc1O)[N+]([O-])=O)NC(C)=O,"InChI=1/C15H14N4O5/c1-8-5-12(16-9(2)20)15(22)13(6-8)18-17-11-7-10(19(23)24)3-4-14(11)21/h3-7,21-22H,1-2H3,(H,16,20)",C15H14N4O5,,,,,,FALQNKUJCMXVBL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.197,205-715-3,148-53-8,2-hydroxy-m-anisaldehyde,2-hydroxy-3-methoxybenzaldehyde,COc1cccc(C=O)c1O,COc1cccc(C=O)c1O,"InChI=1/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3",C8H8O3,,,,,,JJVNINGBHGBWJH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.199,205-717-4,148-56-1,Flumethiazide,"6-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",FC(F)(F)c1cc2N\\C=N/S(=O)(=O)c2cc1S(N)(=O)=O,FC(F)(F)c1cc2N\C=N/S(=O)(=O)c2cc1S(N)(=O)=O,"InChI=1/C8H6F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-3H,(H,13,14)(H2,12,15,16)",C8H6F3N3O4S2,,,,,,RGUQWGXAYZNLMI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.203,205-722-1,148-71-0,4-diethylamino-o-toluidine,"N~4~,N~4~-diethyl-2-methylbenzene-1,4-diamine",CCN(CC)c1ccc(N)c(C)c1,CCN(CC)c1ccc(N)c(C)c1,"InChI=1/C11H18N2/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5,12H2,1-3H3",C11H18N2,,,,,,XBTWVJKPQPQTDW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.208,205-727-9,148-85-6,"4',4'''-azobis[[1,1'-biphenyl]-4-carboxylic] acid","4',4''-diazene-1,2-diyldibiphenyl-4-carboxylic acid",OC(=O)c1ccc(cc1)c4ccc(N=Nc2ccc(cc2)c3ccc(cc3)C(O)=O)cc4,OC(=O)c1ccc(cc1)c4ccc(N=Nc2ccc(cc2)c3ccc(cc3)C(O)=O)cc4,"InChI=1/C26H18N2O4/c29-25(30)21-5-1-17(2-6-21)19-9-13-23(14-10-19)27-28-24-15-11-20(12-16-24)18-3-7-22(8-4-18)26(31)32/h1-16H,(H,29,30)(H,31,32)",C26H18N2O4,,,,,,QODCKSFTCDHBIO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.212,205-732-6,149-13-3,Procaine borate,2-(diethylamino)ethyl 4-aminobenzoate borate hydrochloride,Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1.OB(O)O,Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1.OB(O)O,"InChI=1/C13H20N2O2.BH3O3.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;2-1(3)4;/h5-8H,3-4,9-10,14H2,1-2H3;2-4H;1H",C13H20N2O2.5BHO2,,,,,,XNPJVNACVZQCEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.215,205-735-2,149-29-1,"4,6-dihydro-4-hydroxy-2H-furo[3,2-c]pyran-2-one","4-hydroxy-4H-furo[3,2-c]pyran-2(6H)-one",OC1OCC=C2OC(=O)C=C12,OC1OCC=C2OC(=O)C=C12,"InChI=1/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2",C7H6O4,,,,,,ZRWPUFFVAOMMNM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.637,202-900-0,100-91-4,Eucatropine,"1,2,2,6-tetramethylpiperidin-4-yl hydroxy(phenyl)acetate",CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2,CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2,"InChI=1/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3",C17H25NO3,,,,,,QSAVEGSLJISCDF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.638,202-901-6,100-92-5,Mephentermine,"N,2-dimethyl-1-phenylpropan-2-amine",CNC(C)(C)Cc1ccccc1,CNC(C)(C)Cc1ccccc1,"InChI=1/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",C11H17N,,,,,,RXQCGGRTAILOIN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.642,202-905-8,100-97-0,Methenamine,"1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane",C1N2CN3CN(CN1C3)C2,C1N2CN3CN(CN1C3)C2,InChI=1/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2,C6H12N4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15907,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.642,VKYKSIONXSXAKP-UHFFFAOYSA-N,Positive,mzcloud:3124,[M+H]+,HCD_Averaged,112.0869:98.07127:85.07602:71.06038:58.06513,HighChem,,,,,
100.002.644,202-907-9,101-01-9,"1,2,3-triphenylguanidine","1,2,3-triphenylguanidine",N(C(=Nc1ccccc1)Nc2ccccc2)c3ccccc3,N(C(=Nc1ccccc1)Nc2ccccc2)c3ccccc3,"InChI=1/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)",C19H17N3,,,,,,FUPAJKKAHDLPAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.645,202-908-4,101-02-0,Triphenyl phosphite,triphenyl phosphite,O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3,O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3,InChI=1/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,C18H15O3P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14793,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.645,HVLLSGMXQDNUAL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.653,202-917-3,101-12-2,"3,3'-diaminobenzanilide",3-amino-N-(3-aminophenyl)benzamide,Nc1cccc(NC(=O)c2cccc(N)c2)c1,Nc1cccc(NC(=O)c2cccc(N)c2)c1,"InChI=1/C13H13N3O/c14-10-4-1-3-9(7-10)13(17)16-12-6-2-5-11(15)8-12/h1-8H,14-15H2,(H,16,17)",C13H13N3O,,,,,,OMIOAPDWNQGXED-UHFFFAOYSA-N,,,,,,,,,,,
100.002.655,202-919-4,101-15-5,"4-[(4-amino-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one","4-[(4-amino-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one",Cc1cc(ccc1N)N=C2C=CC(=O)C=C2,Cc1cc(ccc1N)N=C2C=CC(=O)C=C2,"InChI=1/C13H12N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8H,14H2,1H3",C13H12N2O,,,,,,RWIMGHAFJNQGDH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.659,202-924-1,101-20-2,Triclocarban,"1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea",Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,"InChI=1/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)",C13H9Cl3N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12075,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.659,ICUTUKXCWQYESQ-UHFFFAOYSA-N,Positive/Negative,SM880703;EA298801|EA298802|EA298803|EA298804|EA298805|EA298806|EA298807|EA298808|EA298809|EA298810|EA298811|EA298812|EA298813|EA298814,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,314.9853:127.0183:161.9871;161.9872:128.0261:127.0183|314.9853:128.0262:161.9872|314.9852:161.9871:128.0261|161.987:128.026:127.0182|127.0183:93.0573:128.0261|127.0182:93.0573:126.0104|127.0182:93.0572:126.0104|314.9851:161.987:128.026|314.985:161.987:128.026|161.987:128.026:127.0182|127.0182:93.0572:128.026|127.0182:93.0572:126.0104|127.0182:93.0572:126.0104|161.987:128.026:127.0182,CASMI_2016;Eawag,SM880751;EA298851|EA298859;UF418751|UF418752|UF418753|UF418754,[M-H]-;[M-H]-;[M-H]-,HCD35;CID35|HCD30;HCD55|HCD80|CID35|CID55,159.9727:126.0112:312.9709;159.9724|159.9724;159.9727:197.9493|159.9727|159.9727:197.948|159.9727,CASMI_2016;Eawag;UFZ
100.002.663,202-928-3,101-25-7,"3,7-dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane","3,7-dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane",O=NN1CN2CN(CN(C2)N=O)C1,O=NN1CN2CN(CN(C2)N=O)C1,InChI=1/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2,C5H10N6O2,,,,,,MWRWFPQBGSZWNV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.665,202-930-4,101-27-9,Barban,4-chlorobut-2-yn-1-yl (3-chlorophenyl)carbamate,ClCC#CCOC(=O)Nc1cccc(Cl)c1,ClCC#CCOC(=O)Nc1cccc(Cl)c1,"InChI=1/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)",C11H9Cl2NO2,,,,,,MCOQHIWZJUDQIC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.666,202-932-5,101-29-1,"1,4-dihydro-3,5-diiodo-4-oxo-1-pyridylacetic acid","(3,5-diiodo-4-oxopyridin-1(4H)-yl)acetic acid",OC(=O)CN1C=C(I)C(=O)C(=C1)I,OC(=O)CN1C=C(I)C(=O)C(=C1)I,"InChI=1/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)",C7H5I2NO3,,,,,,PVBALTLWZVEAIO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.668,202-934-6,101-32-6,"2,2'-[(phenylmethyl)imino]bisethanol","2,2'-(benzylimino)diethanol",OCCN(CCO)Cc1ccccc1,OCCN(CCO)Cc1ccccc1,"InChI=1/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2",C11H17NO2,,,,,,MIZIOHLLYXVEHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.670,202-936-7,101-37-1,"2,4,6-triallyloxy-1,3,5-triazine","2,4,6-tris(allyloxy)-1,3,5-triazine",C=CCOc1nc(OCC=C)nc(OCC=C)n1,C=CCOc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-6H,1-3,7-9H2",C12H15N3O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15607,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.670,BJELTSYBAHKXRW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.676,202-943-5,101-43-9,Cyclohexyl methacrylate,cyclohexyl methacrylate,CC(=C)C(=O)OC1CCCCC1,CC(=C)C(=O)OC1CCCCC1,"InChI=1/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3",C10H16O2,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13282,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.676,OIWOHHBRDFKZNC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.677,202-944-0,101-45-1,2-[benzyl(1-methyl-2-phenoxyethyl)amino]ethanol,2-[benzyl(1-methyl-2-phenoxyethyl)amino]ethanol,CC(COc1ccccc1)N(CCO)Cc2ccccc2,CC(COc1ccccc1)N(CCO)Cc2ccccc2,"InChI=1/C18H23NO2/c1-16(15-21-18-10-6-3-7-11-18)19(12-13-20)14-17-8-4-2-5-9-17/h2-11,16,20H,12-15H2,1H3",C18H23NO2,,,,,,LYNJRXJVOBYDCM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.678,202-945-6,101-48-4,"1,1-dimethoxy-2-phenylethane","(2,2-dimethoxyethyl)benzene",COC(Cc1ccccc1)OC,COC(Cc1ccccc1)OC,"InChI=1/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3",C10H14O2,,,,,,WNJSKZBEWNVKGU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.685,202-952-4,101-55-3,4-bromophenyl phenyl ether,1-bromo-4-phenoxybenzene,Brc1ccc(Oc2ccccc2)cc1,Brc1ccc(Oc2ccccc2)cc1,InChI=1/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,C12H9BrO,,,,,,JDUYPUMQALQRCN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.687,202-955-0,101-57-5,p-anilinobenzenesulphonic acid,4-anilinobenzenesulfonic acid,OS(=O)(=O)c1ccc(Nc2ccccc2)cc1,OS(=O)(=O)c1ccc(Nc2ccccc2)cc1,"InChI=1/C12H11NO3S/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H,(H,14,15,16)",C12H11NO3S,,,,,,HYKDWGUFDOYDGV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.223,205-744-1,149-64-4,N-butylhyoscinium bromide,"9-butyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide",[Br-].CCCC[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,[Br-].CCCC[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,"InChI=1/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1",C21H30NO4.Br,,,,,,HOZOZZFCZRXYEK-GSWUYBTGSA-M,,,,,,,,,,,
100.005.231,205-753-0,150-13-0,4-aminobenzoic acid,4-aminobenzoic acid,Nc1ccc(cc1)C(=O)O,Nc1ccc(cc1)C(=O)O,"InChI=1/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",C7H7NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17109,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.231,ALYNCZNDIQEVRV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.235,205-757-2,150-33-4,p-anilinobenzenediazonium sulphate (2:1),bis(4-anilinobenzenediazonium) sulfate,[O-]S(=O)(=O)[O-].N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c3ccc(Nc4ccccc4)cc3,[O-]S(=O)(=O)[O-].N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c3ccc(Nc4ccccc4)cc3,"InChI=1/2C12H10N3.H2O4S/c2*13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-5(2,3)4/h2*1-9,14H;(H2,1,2,3,4)/q2*+1;/p-2",C12H10N3.1/2O4S,,,,,,QBAQKRUAIKKDST-UHFFFAOYSA-L,,,,,,,,,,,
100.005.239,205-761-4,150-50-5,"S,S',S'-tributyl phosphorotrithioite",tributyl trithiophosphite,CCCCSP(SCCCC)SCCCC,CCCCSP(SCCCC)SCCCC,"InChI=1/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",C12H27PS3,,,,,,KLAPGAOQRZTCBI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.253,205-777-1,150-88-9,"O-butyl hydrogen dithiocarbonate , zinc salt",zinc bis(O-butyl dithiocarbonate),CCCCOC(=S)S[Zn]SC(=S)OCCCC,CCCCOC(=S)S[Zn]SC(=S)OCCCC,"InChI=1/2C5H10OS2.Zn/c2*1-2-3-4-6-5(7)8;/h2*2-4H2,1H3,(H,7,8);/q;;+2/p-2/rC10H18O2S4Zn/c1-3-5-7-11-9(13)15-17-16-10(14)12-8-6-4-2/h3-8H2,1-2H3",C5H10OS2.1/2Zn,,,,,,NEYNBSGIXOOZGZ-UHFFFAOYSA-L,,,,,,,,,,,
100.005.260,205-785-5,151-13-3,Butyl ricinoleate,butyl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCCCC,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCCCC,"InChI=1/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3",C22H42O3,,,,,,HGWAKQDTQVDVRP-OKULMJQMSA-N,,,,,,,,,,,
100.005.261,205-786-0,151-18-8,3-aminopropiononitrile,3-aminopropanenitrile,NCCC#N,NCCC#N,"InChI=1/C3H6N2/c4-2-1-3-5/h1-2,4H2",C3H6N2,,,,,,AGSPXMVUFBBBMO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.263,205-788-1,151-21-3,Sodium dodecyl sulphate,sodium dodecyl sulfate,[Na+].CCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",C12H26O4S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2126,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.263,DBMJMQXJHONAFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.005.266,205-791-8,151-41-7,Dodecyl hydrogen sulphate,dodecyl hydrogen sulfate,CCCCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCCCOS(=O)(=O)O,"InChI=1/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)",C12H26O4S,,,,,,MOTZDAYCYVMXPC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.267,205-792-3,151-50-8,Potassium cyanide,potassium cyanide,[K+].[C-]#N,[K+].[C-]#N,InChI=1/CN.K/c1-2;/q-1;+1,CKN,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13737,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.267,NNFCIKHAZHQZJG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.292,205-819-9,153-94-6,D-(+)-tryptophan,D-tryptophan,OC(=O)[C@H](N)Cc2cnc1ccccc12,OC(=O)[C@H](N)Cc2cnc1ccccc12,"InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",C11H12N2O2,,,,,,QIVBCDIJIAJPQS-SECBINFHSA-N,,,,,,,,,,,
100.005.294,205-822-5,154-08-5,5-fluorotryptophan,5-fluorotryptophan,NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O,NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O,"InChI=1/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)",C11H11FN2O2,,,,,,INPQIVHQSQUEAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.304,205-833-5,154-69-8,Tripelennamine hydrochloride,"N-benzyl-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine hydrochloride",Cl.CN(C)CCN(Cc1ccccc1)c2ccccn2,Cl.CN(C)CCN(Cc1ccccc1)c2ccccn2,"InChI=1/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H",C16H21N3.ClH,,,,,,FSSICIQKZGUEAE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.307,205-836-1,154-87-0,Cocarboxylase,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride",[Cl-].Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1,[Cl-].Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1,"InChI=1/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H",C12H19N4O7P2S.Cl,,,,,,YXVCLPJQTZXJLH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.309,205-838-2,154-93-8,Carmustine,"1,3-bis(2-chloroethyl)-1-nitrosourea",ClCCNC(=O)N(CCCl)N=O,ClCCNC(=O)N(CCCl)N=O,"InChI=1/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)",C5H9Cl2N3O2,,,,,,DLGOEMSEDOSKAD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.313,205-842-4,155-30-6,Methyl 1-thio-ß-D-galactopyranoside,methyl 1-thio-beta-D-galactopyranoside,CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3",C7H14O5S,,,,,,LZFNFLTVAMOOPJ-PZRMXXKTSA-N,,,,,,,,,,,
100.005.652,206-215-8,309-00-2,Aldrin,"1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene",ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl,"InChI=1/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2",C12H8Cl6,,,,,,QBYJBZPUGVGKQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.655,206-218-4,309-43-3,Secobarbital sodium,"sodium 5-allyl-5-(1-methylbutyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCCC(C)C1(CC=C)C(=O)NC(=NC1=O)[O-],[Na+].CCCC(C)C1(CC=C)C(=O)NC(=NC1=O)[O-],"InChI=1/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1",C12H18N2O3.Na,,,,,,AXXJTNXVUHVOJW-UHFFFAOYSA-M,,,,,,,,,,,
100.005.659,206-223-1,311-89-7,Tris(perfluorobutyl)amine,"1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)butan-1-amine",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33",C12F27N,,,,,,RVZRBWKZFJCCIB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.664,206-228-9,312-81-2,"Trimethyl(2,2,3,3-tetrafluorocyclobutyl)silane","trimethyl(2,2,3,3-tetrafluorocyclobutyl)silane",C[Si](C)(C)C1CC(F)(F)C1(F)F,C[Si](C)(C)C1CC(F)(F)C1(F)F,"InChI=1/C7H12F4Si/c1-12(2,3)5-4-6(8,9)7(5,10)11/h5H,4H2,1-3H3",C7H12F4Si,,,,,,CGZAQWRXEYZMTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.665,206-229-4,312-84-5,D-serine,D-serine,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O,"InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)",C3H7NO3,,,,,,MTCFGRXMJLQNBG-UWTATZPHSA-N,,,,,,,,,,,
100.005.668,206-233-6,312-94-7,"a,a,a-trifluoro-o-toluoyl chloride",2-(trifluoromethyl)benzoyl chloride,FC(F)(F)c1ccccc1C(=O)Cl,FC(F)(F)c1ccccc1C(=O)Cl,"InChI=1/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H",C8H4ClF3O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6537,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.668,MXIUWSYTQJLIKE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.670,206-235-7,312-96-9,2-(trifluoromethyl)benzoyl fluoride,2-(trifluoromethyl)benzoyl fluoride,FC(=O)c1ccccc1C(F)(F)F,FC(=O)c1ccccc1C(F)(F)F,"InChI=1/C8H4F4O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H",C8H4F4O,,,,,,MPSOUKZPIUZZDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.672,206-237-8,313-06-4,"Estra-1,3,5(10)-triene-3,17ß-diol 17-(cyclopentanepropionate)","3-hydroxyestra-1,3,5(10)-trien-17-yl 3-cyclopentylpropanoate",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCC5CCCC5,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCC5CCCC5,"InChI=1/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3",C26H36O3,,,,,,UOACKFBJUYNSLK-XRKIENNPSA-N,,,,,,,,,,,
100.005.673,206-238-3,313-67-7,"8-methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid","8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid",COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],"InChI=1/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)",C17H11NO7,,,,,,BBFQZRXNYIEMAW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.687,206-254-0,315-72-0,Opipramol,"2-{4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethanol",OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1,OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1,"InChI=1/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2",C23H29N3O,,,,,,YNZFUWZUGRBMHL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.691,206-258-2,316-41-6,Berberine sulphate,"bis(9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium) sulfate",COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC.COc6ccc7cc8c9cc%10OCOc%10cc9CC[n+]8cc7c6OC.[O-]S(=O)(=O)[O-],COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC.COc6ccc7cc8c9cc%10OCOc%10cc9CC[n+]8cc7c6OC.[O-]S(=O)(=O)[O-],"InChI=1/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",C20H18NO4.1/2O4S,,,,,,OJVABJMSSDUECT-UHFFFAOYSA-L,,,,,,,,,,,
100.005.693,206-260-3,316-46-1,5-fluorouridine,5-fluorouridine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O,"InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)",C9H11FN2O6,,,,,,FHIDNBAQOFJWCA-UAKXSSHOSA-N,,,,,,,,,,,
100.005.694,206-261-9,316-68-7,1-(4-fluoro-1-naphthyl)ethan-1-one,1-(4-fluoro-1-naphthyl)ethanone,CC(=O)c1ccc(F)c2ccccc12,CC(=O)c1ccc(F)c2ccccc12,"InChI=1/C12H9FO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-7H,1H3",C12H9FO,,,,,,GAMOBQXCYKWQLT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.221,205-742-0,149-46-2,"4,5-dihydroxybenzene-1,3-disulphonic acid","4,5-dihydroxybenzene-1,3-disulfonic acid",Oc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C6H6O8S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)",C6H6O8S2,,,,,,XXAXVMUWHZHZMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.226,205-747-8,149-82-6,Cyclohexyldimethylammonium dibutyldithiocarbamate,"N,N-dimethylcyclohexanaminium dibutyldithiocarbamate",CCCCN(CCCC)C(=S)[S-].C[NH+](C)C1CCCCC1,CCCCN(CCCC)C(=S)[S-].C[NH+](C)C1CCCCC1,"InChI=1/C9H19NS2.C8H17N/c1-3-5-7-10(9(11)12)8-6-4-2;1-9(2)8-6-4-3-5-7-8/h3-8H2,1-2H3,(H,11,12);8H,3-7H2,1-2H3",C9H19NS2.C8H17N,,,,,,APWMBANPMBFWLA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.227,205-748-3,149-87-1,5-oxo-DL-proline,5-oxo-L-proline,OC(=O)[C@@H]1CCC(=O)N1,OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)",C5H7NO3,,,,,,ODHCTXKNWHHXJC-VKHMYHEASA-N,,,,,,,,,,,
100.005.236,205-758-8,150-38-9,Trisodium hydrogen ethylenediaminetetraacetate,"trisodium hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[H+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O,[H+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O,"InChI=1/C10H16N2O8.3Na.H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;1H/q;4*+1/p-4",C10H16N2O8.3Na,,,,,,QZKRHPLGUJDVAR-UHFFFAOYSA-K,,,,,,,,,,,
100.005.240,205-763-5,150-59-4,Alverine,N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine,CCN(CCCc1ccccc1)CCCc2ccccc2,CCN(CCCc1ccccc1)CCCc2ccccc2,"InChI=1/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3",C20H27N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17722,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.240,ZPFXAOWNKLFJDN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.245,205-768-2,150-75-4,4-methylaminophenol,4-(methylamino)phenol,CNc1ccc(O)cc1,CNc1ccc(O)cc1,"InChI=1/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3",C7H9NO,,,,,,ZFIQGRISGKSVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.250,205-774-5,150-83-4,Sodium 3-hydroxybutyrate,sodium 3-hydroxybutanoate,[Na+].CC(O)CC(=O)[O-],[Na+].CC(O)CC(=O)[O-],"InChI=1/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1",C4H8O3.Na,,,,,,NBPUSGBJDWCHKC-UHFFFAOYSA-M,,,,,,,,,,,
100.005.257,205-781-3,151-05-3,"a,a-dimethylphenethyl acetate","1,1-dimethyl-2-phenylethyl acetate",CC(=O)OC(C)(C)Cc1ccccc1,CC(=O)OC(C)(C)Cc1ccccc1,"InChI=1/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",C12H16O2,,,,,,FLUWAIIVLCVEKF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.259,205-783-4,151-10-0,"1,3-dimethoxybenzene","1,3-dimethoxybenzene",COc1cccc(OC)c1,COc1cccc(OC)c1,"InChI=1/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3",C8H10O2,,,,,,DPZNOMCNRMUKPS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.272,205-798-6,151-83-7,Methohexital,"5-allyl-1-methyl-5-(1-methylpent-2-yn-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O,CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O,"InChI=1/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)",C14H18N2O3,,,,,,NZXKDOXHBHYTKP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.279,205-805-2,152-58-9,Cortodoxone,"17,21-dihydroxypregn-4-ene-3,20-dione",OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\\C1=C\\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,"InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3",C21H30O4,,,,,,WHBHBVVOGNECLV-OBQKJFGGSA-N,,,,,,,,,,,
100.005.283,205-809-4,152-93-2,"2,6-diamino-5-(ß-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one","2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl hexopyranoside",NC1=NC(=C(OC2OC(CO)C(O)C(O)C2O)C(=O)N1)N,NC1=NC(=C(OC2OC(CO)C(O)C(O)C2O)C(=O)N1)N,"InChI=1/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)",C10H16N4O7,,,,,,KGNGTSCIQCLKEH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.289,205-816-2,153-76-4,"2,2',2''-[benzene-1,2,3-triyltri(oxy)]tris[N,N-diethylethylamine]","2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(N,N-diethylethanamine)",CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC,CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC,"InChI=1/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3",C24H45N3O3,,,,,,ICLWTJIMXVISSR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.290,205-817-8,153-78-6,Fluoren-2-ylamine,9H-fluoren-2-amine,Nc1ccc2c(Cc3ccccc23)c1,Nc1ccc2c(Cc3ccccc23)c1,"InChI=1/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2",C13H11N,,,,,,CFRFHWQYWJMEJN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.296,205-824-6,154-21-2,Lincomycin,"methyl 6,8-dideoxy-6-[(1-methyl-4-propyl-L-prolyl)amino]-1-thio-D-erythro-alpha-D-galacto-octopyranoside",CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O,CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O,"InChI=1/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)",C18H34N2O6S,,,,,,OJMMVQQUTAEWLP-KIDUDLJLSA-N,Positive/Negative,mzcloud:1646,[M+H]+;[M+Na]+,HCD_Averaged,126.12773:359.2177:389.2105:70.06513: 82.06513:83.07295:69.06988,HighChem,mzcloud:1646,[M+FA-H]-;[M-H]-,HCD_Averaged,169.13441:71.01372:127.03996:85.02939:271.1553:325.1588,HighChem
100.002.688,202-956-6,101-58-6,"Bis(4-(1,1,3,3-tetramethylbutyl)phenyl) ether","1,1'-oxybis[4-(1,1,3,3-tetramethylbutyl)benzene]",CC(C)(C)CC(C)(C)c1ccc(Oc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1,CC(C)(C)CC(C)(C)c1ccc(Oc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1,"InChI=1/C28H42O/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3",C28H42O,,,,,,AJDONJVWDSZZQF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.689,202-957-1,101-59-7,4-(p-nitrophenylthio)aniline,4-[(4-nitrophenyl)sulfanyl]aniline,Nc1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,Nc1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2",C12H10N2O2S,,,,,,ZBPKGHOGUVVDLF-UHFFFAOYSA-N,,,,,,,,,,,
100.002.692,202-960-8,101-62-2,"4,4'-oxydibenzamidine","4,4'-oxydibenzenecarboximidamide",NC(=N)c1ccc(Oc2ccc(cc2)C(=N)N)cc1,NC(=N)c1ccc(Oc2ccc(cc2)C(=N)N)cc1,"InChI=1/C14H14N4O/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)",C14H14N4O,,,,,,DMABBVCVVXMJDH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.693,202-961-3,101-63-3,Bis(4-nitrophenyl) ether,"1,1'-oxybis(4-nitrobenzene)",[O-][N+](=O)c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,InChI=1/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,C12H8N2O5,,,,,,MWAGUKZCDDRDCS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.696,202-965-5,101-67-7,Bis(4-octylphenyl)amine,4-octyl-N-(4-octylphenyl)aniline,CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1,CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1,"InChI=1/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3",C28H43N,,,,,,QAPVYZRWKDXNDK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.701,202-970-2,101-73-5,4-isopropoxy-N-phenylaniline,4-isopropoxy-N-phenylaniline,CC(C)Oc1ccc(Nc2ccccc2)cc1,CC(C)Oc1ccc(Nc2ccccc2)cc1,"InChI=1/C15H17NO/c1-12(2)17-15-10-8-14(9-11-15)16-13-6-4-3-5-7-13/h3-12,16H,1-2H3",C15H17NO,,,,,,CVVFFUKULYKOJR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.702,202-971-8,101-74-6,p-(p-anilinoanilino)phenol,4-[(4-anilinophenyl)amino]phenol,Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1,Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1,"InChI=1/C18H16N2O/c21-18-12-10-17(11-13-18)20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19-21H",C18H16N2O,,,,,,JWKZWDVKRDSMLD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.703,202-972-3,101-75-7,N-phenyl-4-(phenylazo)aniline,N-phenyl-4-(phenyldiazenyl)aniline,N(=Nc1ccc(cc1)Nc2ccccc2)c3ccccc3,N(=Nc1ccc(cc1)Nc2ccccc2)c3ccccc3,"InChI=1/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H",C18H15N3,,,,,,VXLFYNFOITWQPM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.711,202-981-2,101-84-8,Diphenyl ether,"1,1'-oxydibenzene",O(c1ccccc1)c2ccccc2,O(c1ccccc1)c2ccccc2,InChI=1/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,C12H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14971,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.711,USIUVYZYUHIAEV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.713,202-983-3,101-86-0,a-hexylcinnamaldehyde,2-benzylideneoctanal,CCCCCC\\C(=C/c1ccccc1)\\C=O,CCCCCC\C(=C/c1ccccc1)\C=O,"InChI=1/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3",C15H20O,,,,,,GUUHFMWKWLOQMM-NTCAYCPXSA-N,,,,,,,,,,,
100.002.720,202-991-7,101-95-1,N-(4-hydroxyphenyl)nonan-1-amide,N-(4-hydroxyphenyl)nonanamide,CCCCCCCCC(=O)Nc1ccc(O)cc1,CCCCCCCCC(=O)Nc1ccc(O)cc1,"InChI=1/C15H23NO2/c1-2-3-4-5-6-7-8-15(18)16-13-9-11-14(17)12-10-13/h9-12,17H,2-8H2,1H3,(H,16,18)",C15H23NO2,,,,,,VQLURHRLTDWRLX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.726,202-998-5,102-02-3,1-phenylbiguanide,N-phenylimidodicarbonimidic diamide,NC(=N)NC(=N)Nc1ccccc1,NC(=N)NC(=N)Nc1ccccc1,"InChI=1/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)",C8H11N5,,,,,,CUQCMXFWIMOWRP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.728,203-000-0,102-04-5,"1,3-diphenylacetone","1,3-diphenylacetone",O=C(Cc1ccccc1)Cc2ccccc2,O=C(Cc1ccccc1)Cc2ccccc2,"InChI=1/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2",C15H14O,,,,,,YFKBXYGUSOXJGS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.732,203-004-2,102-08-9,"1,3-diphenyl-2-thiourea","1,3-diphenylthiourea",S=C(Nc1ccccc1)Nc2ccccc2,S=C(Nc1ccccc1)Nc2ccccc2,"InChI=1/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",C13H12N2S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11688,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.732,FCSHMCFRCYZTRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.348,203-681-4,109-56-8,2-isopropylaminoethanol,2-(isopropylamino)ethanol,CC(C)NCCO,CC(C)NCCO,"InChI=1/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3",C5H13NO,,,,,,RILLZYSZSDGYGV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.349,203-683-5,109-57-9,Tiosinamine,1-allylthiourea,NC(=S)NCC=C,NC(=S)NCC=C,"InChI=1/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)",C4H8N2S,,,,,,HTKFORQRBXIQHD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.325,205-856-0,156-51-4,Phenelzine hydrogen sulphate,(2-phenylethyl)hydrazine sulfate,NNCCc1ccccc1.OS(=O)(=O)O,NNCCc1ccccc1.OS(=O)(=O)O,"InChI=1/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)",C8H12N2.H2O4S,,,,,,RXBKMJIPNDOHFR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.326,205-857-6,156-54-7,Sodium butyrate,sodium butyrate,[Na+].CCCC(=O)[O-],[Na+].CCCC(=O)[O-],"InChI=1/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1",C4H8O2.Na,,,,,,MFBOGIVSZKQAPD-UHFFFAOYSA-M,,,,,,,,,,,
100.005.328,205-859-7,156-59-2,cis-dichloroethylene,"1,2-dichloroethene",Cl[C@H]=CCl,Cl[C@H]=CCl,InChI=1/C2H2Cl2/c3-1-2-4/h1-2H,C2H2Cl2,,,,,,KFUSEUYYWQURPO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.334,205-866-5,157-06-2,(-)-D-arginine hydrate,D-arginine hydrate,O.N[C@H](CCCNC(=N)N)C(=O)O,O.N[C@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.H2O/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H2",C6H14N4O2,,,,,,JVDHWXLTNDKLIZ-PGMHMLKASA-N,,,,,,,,,,,
100.003.987,204-385-8,120-32-1,Clorofene,2-benzyl-4-chlorophenol,Oc1ccc(Cl)cc1Cc2ccccc2,Oc1ccc(Cl)cc1Cc2ccccc2,"InChI=1/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2",C13H11ClO,,,,,,NCKMMSIFQUPKCK-UHFFFAOYSA-N,Negative,,,,,,SM814053;SM863453;ETS00126;UF423051|UF423052|UF423053|UF423054,[M-H]-;[M-H]-;[M-H]-;[M-H]-,HCD35;HCD35;HCD70;HCD55|HCD80|CID35|CID55,217.0427:181.0661;217.0426:181.066:153.0709;217.0431:113.1747;217.0424|217.0425|217.0424:181.0658:153.0708|181.0659:153.0707:180.0578,CASMI_2016;CASMI_2016;Eawag_Additional_Specs2;UFZ
100.003.994,204-393-1,120-40-1,"N,N-bis(2-hydroxyethyl)dodecanamide","N,N-bis(2-hydroxyethyl)dodecanamide",CCCCCCCCCCCC(=O)N(CCO)CCO,CCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3",C16H33NO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5707,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.994,AOMUHOFOVNGZAN-UHFFFAOYSA-N,Positive,SM876702,[M+H]+,HCD35,106.0862:88.0757:288.2533,CASMI_2016,,,,,
100.005.002,205-502-5,141-79-7,4-methylpent-3-en-2-one,4-methylpent-3-en-2-one,CC(=CC(=O)C)C,CC(=CC(=O)C)C,"InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3",C6H10O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2148,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.002,SHOJXDKTYKFBRD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.012,205-513-5,141-94-6,Hexetidine,"1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidin-5-amine",CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,"InChI=1/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3",C21H45N3,,,,,,DTOUUUZOYKYHEP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.020,205-521-9,142-09-6,Hexyl methacrylate,hexyl methacrylate,CCCCCCOC(=O)C(=C)C,CCCCCCOC(=O)C(=C)C,"InChI=1/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3",C10H18O2,,,,,,LNCPIMCVTKXXOY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.023,205-525-0,142-17-6,Calcium dioleate,calcium dioctadec-9-enoate,[Ca+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Ca+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Ca,,,,,,ZCZLQYAECBEUBH-CVBJKYQLSA-L,,,,,,,,,,,
100.004.692,205-160-7,134-85-0,4-chlorobenzophenone,(4-chlorophenyl)(phenyl)methanone,Clc1ccc(cc1)C(=O)c2ccccc2,Clc1ccc(cc1)C(=O)c2ccccc2,InChI=1/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,C13H9ClO,,,,,,UGVRJVHOJNYEHR-UHFFFAOYSA-N,Positive,EQ338001|EQ338002|EQ338003|EQ338004|EQ338005|EQ338006|EQ338007|EQ338008|EQ338009,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,217.0415:138.9945:105.0335|138.9945:217.0415:105.0335|138.9945:105.0335:217.0415|138.9945:105.0335:139.0055|138.9946:139.0056:105.0335|139.0057:138.9947:129.0102|75.0229:139.0058:95.0492|75.0229:74.0151:139.0058|75.0229:74.0151:50.0151,Eawag,,,,,
100.004.693,205-161-2,134-90-7,"[S-(R*,R*)]-2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide","2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide",OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)",C11H12Cl2N2O5,,,,,,WIIZWVCIJKGZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.695,205-163-3,134-92-9,4-hydroxy-4'-methylbenzophenone,(4-hydroxyphenyl)(4-methylphenyl)methanone,Cc1ccc(cc1)C(=O)c2ccc(O)cc2,Cc1ccc(cc1)C(=O)c2ccc(O)cc2,"InChI=1/C14H12O2/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2-9,15H,1H3",C14H12O2,,,,,,HPJMSFQWRMTUHT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.699,205-168-0,134-97-4,"5-ethyltetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one","5-ethyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one",CCN1CN(CO)C(=O)N(CO)C1,CCN1CN(CO)C(=O)N(CO)C1,"InChI=1/C7H15N3O3/c1-2-8-3-9(5-11)7(13)10(4-8)6-12/h11-12H,2-6H2,1H3",C7H15N3O3,,,,,,PTNSEMBHJXYTES-UHFFFAOYSA-N,,,,,,,,,,,
100.004.702,205-171-7,135-02-4,2-methoxybenzaldehyde,2-methoxybenzaldehyde,COc1ccccc1C=O,COc1ccccc1C=O,"InChI=1/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3",C8H8O2,,,,,,PKZJLOCLABXVMC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.706,205-175-9,135-11-5,4-(p-aminoanilino)-3-nitrobenzenesulphonic acid,4-[(4-aminophenyl)amino]-3-nitrobenzenesulfonic acid,Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)O)cc1,Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)O)cc1,"InChI=1/C12H11N3O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(21(18,19)20)7-12(11)15(16)17/h1-7,14H,13H2,(H,18,19,20)",C12H11N3O5S,,,,,,IQXPRPSTZKBYER-UHFFFAOYSA-N,,,,,,,,,,,
100.004.707,205-176-4,135-12-6,4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene,4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene,[O-][N+](=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2,[O-][N+](=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2,InChI=1/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(14)7-11(12)15(16)17/h1-7H,C12H7Cl2NO3,,,,,,XEGBVDXTOVJCSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.704,206-272-9,319-86-8,"(1a,2a,3a,4ß,5a,6ß)-1,2,3,4,5,6-hexachlorocyclohexane","1,2,3,4,5,6-hexachlorocyclohexane",Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,C6H6Cl6,,,,,,JLYXXMFPNIAWKQ-GPIVLXJGSA-N,,,,,,,,,,,
100.005.711,206-280-2,320-67-2,"2-(ß-D-ribofuranosyl)-4-amino-1,3,5-triazin-2-one","4-amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one",NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,"InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)",C8H12N4O5,,,,,,NMUSYJAQQFHJEW-KVTDHHQDSA-N,Positive,mzcloud:1200,[M+H]+,HCD_Averaged,69.00835:86.03489:113.0458,HighChem,,,,,
100.005.715,206-284-4,321-28-8,2-fluoroanisole,1-fluoro-2-methoxybenzene,COc1ccccc1F,COc1ccccc1F,"InChI=1/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",C7H7FO,,,,,,JIXDOBAQOWOUPA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.716,206-286-5,321-30-2,Diadenine sulphate,1H-purin-6-amine sulfate (2:1),Nc1[nH]cnc2ncnc12.Nc3[nH]cnc4ncnc34.OS(=O)(=O)O,Nc1[nH]cnc2ncnc12.Nc3[nH]cnc4ncnc34.OS(=O)(=O)O,"InChI=1/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)",C5H5N5.1/2H2O4S,,,,,,LQXHSCOPYJCOMD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.732,206-304-1,324-74-3,4-fluorobiphenyl,4-fluorobiphenyl,Fc1ccc(cc1)c2ccccc2,Fc1ccc(cc1)c2ccccc2,InChI=1/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,C12H9F,,,,,,RUYZJEIKQYLEGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.735,206-307-8,326-06-7,"4,4,4-trifluoro-1-phenylbutane-1,3-dione","4,4,4-trifluoro-1-phenylbutane-1,3-dione",FC(F)(F)C(=O)CC(=O)c1ccccc1,FC(F)(F)C(=O)CC(=O)c1ccccc1,"InChI=1/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2",C10H7F3O2,,,,,,VVXLFFIFNVKFBD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.744,206-317-2,327-51-5,"1,4-dibromo-2,5-difluorobenzene","1,4-dibromo-2,5-difluorobenzene",Fc1cc(Br)c(F)cc1Br,Fc1cc(Br)c(F)cc1Br,InChI=1/C6H2Br2F2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,C6H2Br2F2,,,,,,GLVMLJCMUBZVTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.745,206-318-8,327-52-6,"1-bromo-2,4,5-trifluorobenzene","1-bromo-2,4,5-trifluorobenzene",Fc1cc(F)c(Br)cc1F,Fc1cc(F)c(Br)cc1F,InChI=1/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,C6H2BrF3,,,,,,DVTULTINXNWGJY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.746,206-319-3,327-54-8,"1,2,4,5-tetrafluorobenzene","1,2,4,5-tetrafluorobenzene",Fc1cc(F)c(F)cc1F,Fc1cc(F)c(F)cc1F,InChI=1/C6H2F4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,C6H2F4,,,,,,SDXUIOOHCIQXRP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.751,206-325-6,327-97-9,"5-O-(3,4-dihydroxycinnamoyl)-L-quinic acid","3-{[3-(3,4-dihydroxyphenyl)acryloyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid",O[C@@H]1C[C@](O)(CC(OC(=O)\\C=C\\c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O,O[C@@H]1C[C@](O)(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O,"InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",C16H18O9,,,,,,CWVRJTMFETXNAD-VQWGVLBKSA-N,,,,,,,,,,,
100.005.754,206-328-2,328-39-2,DL-leucine,leucine,CC(C)CC(N)C(=O)O,CC(C)CC(N)C(=O)O,"InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",C6H13NO2,,,,,,ROHFNLRQFUQHCH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.761,206-336-6,328-75-6,"a,a,a,a',a',a'-hexafluoro-5-nitroxylene","1-nitro-3,5-bis(trifluoromethyl)benzene",FC(F)(F)c1cc(cc(c1)C(F)(F)F)N(=O)=O,FC(F)(F)c1cc(cc(c1)C(F)(F)F)N(=O)=O,"InChI=1/C8H3F6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H",C8H3F6NO2,,,,,,GMUWJDVVXLBMEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.763,206-338-7,328-87-0,2-chloro-5-(trifluoromethyl)benzonitrile,2-chloro-5-(trifluoromethyl)benzonitrile,FC(F)(F)c1ccc(Cl)c(c1)C#N,FC(F)(F)c1ccc(Cl)c(c1)C#N,"InChI=1/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H",C8H3ClF3N,,,,,,LCISFYAQKHOWBP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.765,206-340-8,328-99-4,3-(trifluoromethyl)benzoyl fluoride,3-(trifluoromethyl)benzoyl fluoride,FC(=O)c1cccc(c1)C(F)(F)F,FC(=O)c1cccc(c1)C(F)(F)F,"InChI=1/C8H4F4O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H",C8H4F4O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6109,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.765,LTHOSILCKUBBIS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.767,206-342-9,329-15-7,"a,a,a-trifluoro-p-toluoyl chloride",4-(trifluoromethyl)benzoyl chloride,FC(F)(F)c1ccc(cc1)C(=O)Cl,FC(F)(F)c1ccc(cc1)C(=O)Cl,"InChI=1/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H",C8H4ClF3O,,,,,,OXZYBOLWRXENKT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.776,206-352-3,330-12-1,4-(trifluoromethoxy)benzoic acid,4-(trifluoromethoxy)benzoic acid,OC(=O)c1ccc(OC(F)(F)F)cc1,OC(=O)c1ccc(OC(F)(F)F)cc1,"InChI=1/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)",C8H5F3O3,,,,,,RATSANVPHHXDCT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.781,206-358-6,330-93-8,"1,1'-oxybis(4-fluorobenzene)","1,1'-oxybis(4-fluorobenzene)",Fc1ccc(Oc2ccc(F)cc2)cc1,Fc1ccc(Oc2ccc(F)cc2)cc1,InChI=1/C12H8F2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,C12H8F2O,,,,,,UUKHFGSOCZLVJO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.297,205-825-1,154-23-4,Cianidanol,"2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol",O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,"InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",C15H14O6,,,,,,PFTAWBLQPZVEMU-DZGCQCFKSA-N,,,,,,,,,,,
100.005.308,205-837-7,154-92-7,N-a-benzoyl-L-arginine,N~2~-benzoyl-L-arginine,O=C(N[C@@H](CCCNC(N)=N)C(O)=O)c1ccccc1,O=C(N[C@@H](CCCNC(N)=N)C(O)=O)c1ccccc1,"InChI=1/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)",C13H18N4O3,,,,,,RSYYQCDERUOEFI-JTQLQIEISA-N,,,,,,,,,,,
100.005.311,205-840-3,155-04-4,Zinc di(benzothiazol-2-yl) disulphide,"zinc bis(1,3-benzothiazole-2-thiolate)",[Zn+2].[S-]c1nc2ccccc2s1.[S-]c1nc2ccccc2s1,[Zn+2].[S-]c1nc2ccccc2s1.[S-]c1nc2ccccc2s1,"InChI=1/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2",C7H5NS2.1/2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2117,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.311,PGNWIWKMXVDXHP-UHFFFAOYSA-L,,,,,,,,,,,
100.005.316,205-846-6,155-84-0,N2-acetyl-L-arginine,N~2~-acetyl-L-arginine,CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)",C8H16N4O3,,,,,,SNEIUMQYRCDYCH-LURJTMIESA-N,,,,,,,,,,,
100.005.320,205-850-8,156-34-3,Levamfetamine,1-phenylpropan-2-amine,C[C@@H](N)Cc1ccccc1,C[C@@H](N)Cc1ccccc1,"InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",C9H13N,,,,,,KWTSXDURSIMDCE-MRVPVSSYSA-N,,,,,,,,,,,
100.005.321,205-851-3,156-38-7,p-hydroxyphenylacetic acid,(4-hydroxyphenyl)acetic acid,OC(=O)Cc1ccc(O)cc1,OC(=O)Cc1ccc(O)cc1,"InChI=1/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",C8H8O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18436,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.321,XQXPVVBIMDBYFF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.327,205-858-1,156-57-0,Mercaptamine hydrochloride,2-aminoethanethiol hydrochloride,Cl.NCCS,Cl.NCCS,"InChI=1/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H",C2H7NS.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18071,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.327,OGMADIBCHLQMIP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.333,205-864-4,156-87-6,3-aminopropan-1-ol,3-aminopropan-1-ol,NCCCO,NCCCO,"InChI=1/C3H9NO/c4-2-1-3-5/h5H,1-4H2",C3H9NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13762,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.333,WUGQZFFCHPXWKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.970,204-366-4,120-05-8,"(Z)-2-[(3,4-dihydroxyphenyl)methylene]-6-hydroxy-2H-benzofuran-3-one","2-(3,4-dihydroxybenzylidene)-6-hydroxy-1-benzofuran-3(2H)-one",Oc1ccc2C(=O)\\C(=C\\c3ccc(O)c(O)c3)\\Oc2c1,Oc1ccc2C(=O)\C(=C\c3ccc(O)c(O)c3)\Oc2c1,"InChI=1/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H",C15H10O5,,,,,,RGNXWPVNPFAADO-NSIKDUERSA-N,,,,,,,,,,,
100.003.971,204-368-5,120-07-0,"2,2'-phenyliminodiethanol","2,2'-(phenylimino)diethanol",OCCN(CCO)c1ccccc1,OCCN(CCO)c1ccccc1,"InChI=1/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2",C10H15NO2,,,,,,OJPDDQSCZGTACX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.972,204-369-0,120-08-1,"6,7-dimethoxy-2-benzopyrone","6,7-dimethoxy-2H-chromen-2-one",COc1cc2OC(=O)C=Cc2cc1OC,COc1cc2OC(=O)C=Cc2cc1OC,"InChI=1/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",C11H10O4,,,,,,GUAFOGOEJLSQBT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.975,204-372-7,120-13-8,4-ethoxy-3-methoxyphenylacetic acid,(4-ethoxy-3-methoxyphenyl)acetic acid,CCOc1ccc(CC(=O)O)cc1OC,CCOc1ccc(CC(=O)O)cc1OC,"InChI=1/C11H14O4/c1-3-15-9-5-4-8(7-11(12)13)6-10(9)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)",C11H14O4,,,,,,XVNXRPVJRCYHEW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.977,204-374-8,120-15-0,"Methyl 1,2,3,4-tetrahydro-6-quinolyl ether","6-methoxy-1,2,3,4-tetrahydroquinoline",COc1ccc2NCCCc2c1,COc1ccc2NCCCc2c1,"InChI=1/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3",C10H13NO,,,,,,FRXSZNDVFUDTIR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.978,204-375-3,120-18-3,Naphthalene-2-sulphonic acid,naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc2ccccc2c1,OS(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)",C10H8O3S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15068,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.978,KVBGVZZKJNLNJU-UHFFFAOYSA-N,Positive/Negative,EA065301|EA065302|EA065303|EA065304|EA065305|EA065306|EA065307|EA065308|EA065309|EA065310|EA065311|EA065312|EA065313|EA065314,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,128.062:191.0162:145.0648|209.0267:128.062:191.0164|128.062:209.0266:155.0603|128.062:155.0604:145.065|128.062:155.0603:103.0543|128.062:155.0603:103.0541|128.062:155.0603:127.0542|209.0265:128.062:155.0599|128.0619:209.0265:155.0602|128.0619:155.0602:145.0647|128.0619:155.0602:145.0646|128.062:155.0603:127.0542|128.0619:155.0602:127.0542|128.062:191.016:145.0648,Eawag,SM881155;EA065351|EA065352|EA065353|EA065354|EA065355|EA065356|EA065357|EA065358|EA065359|EA065360|EA065361|EA065362|EA065363,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,207.0122:143.0502:118.9924;143.0504:207.012:79.9575|207.0116|207.012|207.012:143.0503:79.9572|207.0116:143.05:79.9573|143.0503:79.9574:207.0122|143.0501:79.9573:115.0558|207.0121|207.012|207.0122:143.0502:79.9575|207.0121:143.0502:79.9574|143.0501:79.9574:207.0116|143.0502:79.9573:115.0553,CASMI_2016;Eawag
100.003.982,204-380-0,120-23-0,2-naphthyloxyacetic acid,(2-naphthyloxy)acetic acid,OC(=O)COc1ccc2ccccc2c1,OC(=O)COc1ccc2ccccc2c1,"InChI=1/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)",C12H10O3,,,,,,RZCJYMOBWVJQGV-UHFFFAOYSA-N,Positive/Negative,EQ371601|EQ371602|EQ371603|EQ371604|EQ371605|EQ371606|EQ371607|EQ371608|EQ371609,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,157.0648:129.0699:203.0704|157.0648:129.0699:155.0605|157.0648:129.0699:155.0605|129.0699:155.0604:145.0649|155.0604:129.0699:145.0649|155.0604:145.0649:128.0621|155.0604:127.0543:128.0621|95.0492:126.0465:128.0621|75.0229:95.0492:115.0543,Eawag,EQ371651|EQ371652|EQ371653|EQ371654|EQ371655|EQ371656|EQ371657|EQ371658|EQ371659,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,143.0502:201.0558:157.0659|143.0502:157.0659:201.0557|143.0502:157.0659:144.0536|143.0502:144.0535:157.0659|143.0502:115.0554:144.0536|143.0502:115.0554:144.0536|115.0554:143.0503:144.0535|115.0554:143.0503:65.0397|115.0554:65.0397:143.0503,Eawag
100.003.998,204-397-3,120-45-6,1-phenylethyl propionate,1-phenylethyl propionate,CCC(=O)OC(C)c1ccccc1,CCC(=O)OC(C)c1ccccc1,"InChI=1/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",C11H14O2,,,,,,WCIQNYOXLZQQMU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.004,205-504-6,141-83-3,Amidinourea,1-carbamimidoylurea,NC(=N)NC(=O)N,NC(=N)NC(=O)N,"InChI=1/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)",C2H6N4O,,,,,,SQSPRWMERUQXNE-UHFFFAOYSA-N,Positive,SM870902;EQ325301|EQ325302|EQ325303|EQ325304;TUE00361|TUE00362|TUE00363,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60;NA10.0V|NA20.0V|NA40.0V,60.0558:86.0349:103.0614;60.0556:86.0349:103.0615|60.0556:86.0349:103.0614|60.0556:86.0349:103.0614|60.0556:86.0349:103.0614;60.0558:86.0349:103.0614|60.0557:43.0288:86.0347|43.0287:44.0128:69.0085,CASMI_2016;Eawag;Env_Anal_Chem_U_Tuebingen,,,,,
100.005.007,205-507-2,141-86-6,"Pyridine-2,6-diyldiamine","pyridine-2,6-diamine",Nc1cccc(N)n1,Nc1cccc(N)n1,"InChI=1/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)",C5H7N3,,,,,,VHNQIURBCCNWDN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.351,203-685-6,109-59-1,2-isopropoxyethanol,2-isopropoxyethanol,CC(C)OCCO,CC(C)OCCO,"InChI=1/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3",C5H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12659,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.351,HCGFUIQPSOCUHI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.353,203-687-7,109-61-5,Propyl chloroformate,propyl chlorocarbonate,CCCOC(=O)Cl,CCCOC(=O)Cl,"InChI=1/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3",C4H7ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1891,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.353,QQKDTTWZXHEGAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.358,203-692-4,109-66-0,Pentane,pentane,CCCCC,CCCCC,"InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3",C5H12,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15177,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.358,OFBQJSOFQDEBGM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.360,203-695-0,109-68-2,Pent-2-ene,pent-2-ene,CCC=CC,CCC=CC,"InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",C5H10,,,,,,QMMOXUPEWRXHJS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.361,203-696-6,109-69-3,1-chlorobutane,1-chlorobutane,CCCCCl,CCCCCl,"InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3",C4H9Cl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13696,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.361,VFWCMGCRMGJXDK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.363,203-698-7,109-72-8,Butyllithium,butyllithium,[Li]CCCC,[Li]CCCC,"InChI=1/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;/rC4H9Li/c1-2-3-4-5/h2-4H2,1H3",C4H9Li,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14573,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.363,MZRVEZGGRBJDDB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.365,203-700-6,109-74-0,Butyronitrile,butyronitrile,CCCC#N,CCCC#N,"InChI=1/C4H7N/c1-2-3-4-5/h2-3H2,1H3",C4H7N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5838,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.365,KVNRLNFWIYMESJ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.366,203-701-1,109-75-1,But-3-enenitrile,but-3-enenitrile,C=CCC#N,C=CCC#N,"InChI=1/C4H5N/c1-2-3-4-5/h2H,1,3H2",C4H5N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1458,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.366,SJNALLRHIVGIBI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.367,203-702-7,109-76-2,Trimethylenediamine,"propane-1,3-diamine",NCCCN,NCCCN,InChI=1/C3H10N2/c4-2-1-3-5/h1-5H2,C3H10N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11978,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.367,XFNJVJPLKCPIBV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.370,203-705-3,109-79-5,Butane-1-thiol,butane-1-thiol,CCCCS,CCCCS,"InChI=1/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3",C4H10S,,,,,,WQAQPCDUOCURKW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.371,203-706-9,109-80-8,"Propane-1,3-dithiol","propane-1,3-dithiol",SCCCS,SCCCS,"InChI=1/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2",C3H8S2,,,,,,ZJLMKPKYJBQJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.372,203-707-4,109-81-9,2-aminoethylmethylamine,"N-methylethane-1,2-diamine",CNCCN,CNCCN,"InChI=1/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3",C3H10N2,,,,,,KFIGICHILYTCJF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.376,203-712-1,109-85-3,2-methoxyethylamine,2-methoxyethanamine,COCCN,COCCN,"InChI=1/C3H9NO/c1-5-3-2-4/h2-4H2,1H3",C3H9NO,,,,,,ASUDFOJKTJLAIK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.387,203-724-7,109-97-7,Pyrrole,1H-pyrrole,c1cc[nH]c1,c1cc[nH]c1,InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H,C4H5N,,,,,,KAESVJOAVNADME-UHFFFAOYSA-N,Positive,SM815506,[M+H]+,HCD35,68.0496:53.0024,CASMI_2016,,,,,
100.003.390,203-727-3,110-00-9,Furan,furan,o1cccc1,o1cccc1,InChI=1/C4H4O/c1-2-4-5-3-1/h1-4H,C4H4O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10633,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.390,YLQBMQCUIZJEEH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.401,203-739-9,110-14-5,Succinamide,succinamide,NC(=O)CCC(=O)N,NC(=O)CCC(=O)N,"InChI=1/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)",C4H8N2O2,,,,,,SNCZNSNPXMPCGN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.120,203-430-9,106-75-2,Oxydiethylene bis(chloroformate),"oxydiethane-2,1-diyl dichlorocarbonate",ClC(=O)OCCOCCOC(=O)Cl,ClC(=O)OCCOCCOC(=O)Cl,InChI=1/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2,C6H8Cl2O5,,,,,,XFSAZBKSWGOXRH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.123,203-434-0,106-83-2,Butyl 3-octyloxiran-2-octanoate,butyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OCCCC,CCCCCCCCC1OC1CCCCCCCC(=O)OCCCC,"InChI=1/C22H42O3/c1-3-5-7-8-10-13-16-20-21(25-20)17-14-11-9-12-15-18-22(23)24-19-6-4-2/h20-21H,3-19H2,1-2H3",C22H42O3,,,,,,FEXXLIKDYGCVGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.005,204-405-5,120-53-6,6-ethoxy-2-mercaptobenzothiazole,"6-ethoxy-1,3-benzothiazole-2-thiol",CCOc1ccc2nc(S)sc2c1,CCOc1ccc2nc(S)sc2c1,"InChI=1/C9H9NOS2/c1-2-11-6-3-4-7-8(5-6)13-9(12)10-7/h3-5H,2H2,1H3,(H,10,12)",C9H9NOS2,,,,,,HOASVNMVYBSLSU-UHFFFAOYSA-N,Positive/Negative,SM821703,[M+H]+,HCD35,212.0199:183.9887:151.0087,CASMI_2016,SM821753,[M-H]-,HCD35,180.9661:210.0052:152.9712,CASMI_2016
100.004.008,204-408-1,120-56-9,Ethylenebis(oxyethylene) dibenzoate,"ethane-1,2-diylbis(oxyethane-2,1-diyl) dibenzoate",O=C(OCCOCCOCCOC(=O)c1ccccc1)c2ccccc2,O=C(OCCOCCOCCOC(=O)c1ccccc1)c2ccccc2,"InChI=1/C20H22O6/c21-19(17-7-3-1-4-8-17)25-15-13-23-11-12-24-14-16-26-20(22)18-9-5-2-6-10-18/h1-10H,11-16H2",C20H22O6,,,,,,AHSGHEXYEABOKT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.009,204-409-7,120-57-0,Piperonal,"1,3-benzodioxole-5-carbaldehyde",O=Cc1ccc2OCOc2c1,O=Cc1ccc2OCOc2c1,"InChI=1/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2",C8H6O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5265,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.009,SATCULPHIDQDRE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.013,204-413-9,120-65-0,a-dimethylamino-o-cresol,2-[(dimethylamino)methyl]phenol,CN(C)Cc1ccccc1O,CN(C)Cc1ccccc1O,"InChI=1/C9H13NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3",C9H13NO,,,,,,FUIQBJHUESBZNU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.719,205-190-0,135-42-2,"N,N'''-[4-(dodecyloxy)-1,3-phenylene]bisguanidine dihydrochloride","N,N'''-[4-(dodecyloxy)-1,3-phenylene]diguanidine dihydrochloride",Cl.Cl.CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,Cl.Cl.CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,"InChI=1/C20H36N6O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-14-27-18-13-12-16(25-19(21)22)15-17(18)26-20(23)24;;/h12-13,15H,2-11,14H2,1H3,(H4,21,22,25)(H4,23,24,26);2*1H",C20H36N6O.2ClH,,,,,,ORNKTGGBEWOHQY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.723,205-194-2,135-49-9,"2,7-dimethylacridin-3,6-yldiamine hydrochloride","2,7-dimethylacridine-3,6-diamine",Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,"InChI=1/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3",C15H15N3.ClH,,,,,,HGHJYCKSBMCGRK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.730,205-202-4,135-58-0,Mesulfen,"2,7-dimethylthianthrene",Cc1ccc2Sc3cc(C)ccc3Sc2c1,Cc1ccc2Sc3cc(C)ccc3Sc2c1,"InChI=1/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3",C14H12S2,,,,,,AHXDSVSZEZHDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.731,205-204-5,135-59-1,3-imino-3H-phenothiazin-7-amine,3-imino-3H-phenothiazin-7-amine,Nc1ccc2N=C3C=CC(=N)C=C3Sc2c1,Nc1ccc2N=C3C=CC(=N)C=C3Sc2c1,"InChI=1/C12H9N3S/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6,13H,14H2",C12H9N3S,,,,,,SHHZUHVSERGLNW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.732,205-205-0,135-61-5,3-hydroxy-2'-methyl-2-naphthanilide,3-hydroxy-N-(2-methylphenyl)-2-naphthamide,Cc1ccccc1NC(=O)c2cc3ccccc3cc2O,Cc1ccccc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C18H15NO2/c1-12-6-2-5-9-16(12)19-18(21)15-10-13-7-3-4-8-14(13)11-17(15)20/h2-11,20H,1H3,(H,19,21)",C18H15NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13267,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.732,FBLAHUMENIHUGG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.733,205-206-6,135-62-6,3-hydroxy-2'-methoxy-2-naphthanilide,3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,COc1ccccc1NC(=O)c2cc3ccccc3cc2O,COc1ccccc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)",C18H15NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11225,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.733,AQYMRQUYPFCXDM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.735,205-208-7,135-64-8,3-hydroxy-N-2-naphthyl-2-naphthamide,3-hydroxy-N-2-naphthyl-2-naphthamide,Oc1cc2ccccc2cc1C(=O)Nc3ccc4ccccc4c3,Oc1cc2ccccc2cc1C(=O)Nc3ccc4ccccc4c3,"InChI=1/C21H15NO2/c23-20-13-17-8-4-3-7-16(17)12-19(20)21(24)22-18-10-9-14-5-1-2-6-15(14)11-18/h1-13,23H,(H,22,24)",C21H15NO2,,,,,,PMYDPQQPEAYXKD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.399,204-837-4,127-38-8,"Sodium 1,4-bis(2-methylpentyl) sulphonatosuccinate","sodium 1,4-bis[(2-methylpentyl)oxy]-1,4-dioxobutane-2-sulfonate",[Na+].CCCC(C)COC(=O)CC(C(=O)OCC(C)CCC)S(=O)(=O)[O-],[Na+].CCCC(C)COC(=O)CC(C(=O)OCC(C)CCC)S(=O)(=O)[O-],"InChI=1/C16H30O7S.Na/c1-5-7-12(3)10-22-15(17)9-14(24(19,20)21)16(18)23-11-13(4)8-6-2;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1",C16H30O7S.Na,,,,,,QTGATPJBZFHQSF-UHFFFAOYSA-M,,,,,,,,,,,
100.004.400,204-839-5,127-39-9,"Sodium 1,2-diisobutoxycarbonylethanesulphonate","sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate",[Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-],[Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-],"InChI=1/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1/p-1",C12H22O7S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5519,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.400,NTWXWSVUSTYPJH-UHFFFAOYSA-M,,,,,,,,,,,
100.004.402,204-841-6,127-41-3,"4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one","4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",C\\C1=C\\CCC(C)(C)C1C=CC(C)=O,C\C1=C\CCC(C)(C)C1C=CC(C)=O,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3",C13H20O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18612,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.402,UZFLPKAIBPNNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.416,204-856-8,127-67-3,Pilocarpidine,3-ethyl-4-(1H-imidazol-4-ylmethyl)dihydrofuran-2(3H)-one,CCC1C(Cc2c[nH]cn2)COC1=O,CCC1C(Cc2c[nH]cn2)COC1=O,"InChI=1/C10H14N2O2/c1-2-9-7(5-14-10(9)13)3-8-4-11-6-12-8/h4,6-7,9H,2-3,5H2,1H3,(H,11,12)",C10H14N2O2,,,,,,QVRFSYRSSMDRPS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.421,204-862-0,127-74-2,4'-(pyrimidin-2-ylsulphamoyl)acetanilide,N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2,"InChI=1/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)",C12H12N4O3S,,,,,,NJIZUWGMNCUKGU-UHFFFAOYSA-N,Negative,,,,,,mzcloud:1558,[M-H]-,HCD_Averaged,92.0261:134.06112:156.9951:184.0753:211.09892:227.0958,HighChem
100.004.423,204-864-1,127-76-4,4'-(thiazol-2-ylsulphamoyl)acetanilide,"N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide",CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,"InChI=1/C11H11N3O3S2/c1-8(15)13-9-2-4-10(5-3-9)19(16,17)14-11-12-6-7-18-11/h2-7H,1H3,(H,12,14)(H,13,15)",C11H11N3O3S2,,,,,,KXNXWINFSDKMHD-UHFFFAOYSA-N,Negative,,,,,,mzcloud:1554,[M-H]-,HCD_Averaged,92.0507:97.09942:134.06113:141.01281:178.95906:198.02305:205.04411,HighChem
100.004.429,204-870-4,127-90-2,"Bis(2,3,3,3-tetrachloropropyl) ether","3,3'-oxybis(1,1,1,2-tetrachloropropane)",ClC(COCC(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,ClC(COCC(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1/C6H6Cl8O/c7-3(5(9,10)11)1-15-2-4(8)6(12,13)14/h3-4H,1-2H2",C6H6Cl8O,,,,,,LNJXZKBHJZAIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.431,204-873-0,127-95-7,Potassium hydrogen oxalate,potassium hydrogen oxalate,[K+].[O-]C(=O)C(=O)[O-],[K+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-2",C2H2O4.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14257,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.431,JMTCDHVHZSGGJA-UHFFFAOYSA-L,,,,,,,,,,,
100.005.795,206-373-8,333-41-5,Diazinon,"O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate",CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,"InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3",C12H21N2O3PS,,,,,,FHIVAFMUCKRCQO-UHFFFAOYSA-N,Positive,AU312401|AU312402|AU312403|AU312404|AU312405;SM877901;EA029301|EA029302|EA029303|EA029304|EA029305|EA029306|EA029307|EA029308|EA029309|EA029310|EA029311|EA029312|EA029313|EA029314;UF400601|UF400602|UF400603,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35,305.1119:307.1064:169.0786|169.0788:305.1085:153.1014|169.0789:153.1013:249.0453|169.0787:153.1013:135.0907|169.0787:153.1014:135.0908;305.1085:169.0794:153.1023;169.0797:153.1026:277.0773|305.1087:169.0795|305.1082:169.0795:153.1023|169.0796:153.1024:96.9508|169.0794:153.1022:96.9507|169.0795:100.0216:96.9509|100.0216:96.9508:114.9614|305.1086:169.079:153.1021|305.1087:169.0795:153.1023|169.0795:153.1023:96.9508|169.0796:153.1024:96.9509|169.0795:100.0216:96.9508|100.0216:96.9508:114.9614|169.0795:153.1023:277.0771;169.0794:153.1021:96.9507|100.0215:169.0794:96.9507|169.0793:153.1021:100.0213,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.005.799,206-378-5,334-49-6,(E)-2-decenoic acid,dec-2-enoic acid,CCCCCCC\\C=C\\C(=O)O,CCCCCCC\C=C\C(=O)O,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)",C10H18O2,,,,,,WXBXVVIUZANZAU-CMDGGOBGSA-N,,,,,,,,,,,
100.005.802,206-381-1,334-68-9,1-fluorododecane,1-fluorododecane,CCCCCCCCCCCCF,CCCCCCCCCCCCF,"InChI=1/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",C12H25F,,,,,,YHYBNVZCQIDLSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.807,206-386-9,335-27-3,"1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane","1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane",FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F,"InChI=1/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14",C8F16,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18928,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.807,LOQGSOTUHASIHI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.811,206-391-6,335-56-8,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane","1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,"InChI=1/C6BrF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20",C6BrF13,,,,,,JTYRBFORUCBNHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.813,206-393-7,335-58-0,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C7F15I/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23",C7F15I,,,,,,AHUMDLIBMIYQMU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.821,206-402-4,335-93-3,Silver(1+) perfluorooctanoate,pentadecafluorooctanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)",C8HF15O2.Ag,,,,,,SNGREZUHAYWORS-UHFFFAOYSA-N,Negative,,,,,,SM877354;EA271751|EA271752|EA271753|EA271754|EA271757|EA271758|EA271759|EA271760,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD90|HCD15|HCD30|HCD45,368.9761:168.9893;368.9771:168.9893:218.9863|368.9756:168.9891:218.9854|168.9893|168.9896|412.9758:368.9777|368.9768:168.9891:218.9856|168.9891:218.986|168.989:412.9771,CASMI_2016;Eawag
100.005.824,206-406-6,335-99-9,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol","2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol",OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C7H4F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2,20H,1H2",C7H4F12O,,,,,,BYKNGMLDSIEFFG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.828,206-410-8,336-59-4,Heptafluorobutyric anhydride,heptafluorobutanoic anhydride,FC(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22",C8F14O3,,,,,,UFFSXJKVKBQEHC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.830,206-412-9,337-03-1,Flugestone,"9-fluoro-11,17-dihydroxypregn-4-ene-3,20-dione",CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C,CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C,"InChI=1/C21H29FO4/c1-12(23)20(26)9-7-15-16-5-4-13-10-14(24)6-8-18(13,2)21(16,22)17(25)11-19(15,20)3/h10,15-17,25-26H,4-9,11H2,1-3H3",C21H29FO4,,,,,,OFSXGKOMEGSTSE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.835,206-418-1,338-69-2,D-alanine,D-alanine,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O,"InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)",C3H7NO2,,,,,,QNAYBMKLOCPYGJ-UWTATZPHSA-N,,,,,,,,,,,
100.005.845,206-429-1,340-05-6,(±)-a-(trifluoromethyl)benzyl alcohol,"2,2,2-trifluoro-1-phenylethanol",OC(c1ccccc1)C(F)(F)F,OC(c1ccccc1)C(F)(F)F,"InChI=1/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H",C8H7F3O,,,,,,VNOMEAQPOMDWSR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.846,206-430-7,340-06-7,(S)-a-(trifluoromethyl)benzyl alcohol,"2,2,2-trifluoro-1-phenylethanol",O[C@@H](c1ccccc1)C(F)(F)F,O[C@@H](c1ccccc1)C(F)(F)F,"InChI=1/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H",C8H7F3O,,,,,,VNOMEAQPOMDWSR-ZETCQYMHSA-N,,,,,,,,,,,
100.005.854,206-439-6,342-23-4,"2,2'-difluorobenzophenone",bis(2-fluorophenyl)methanone,Fc1ccccc1C(=O)c2ccccc2F,Fc1ccccc1C(=O)c2ccccc2F,InChI=1/C13H8F2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H,C13H8F2O,,,,,,GNDHXHLGYBJDRD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.855,206-440-1,342-24-5,2-fluorobenzophenone,(2-fluorophenyl)(phenyl)methanone,Fc1ccccc1C(=O)c2ccccc2,Fc1ccccc1C(=O)c2ccccc2,InChI=1/C13H9FO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,C13H9FO,,,,,,DWFDQVMFSLLMPE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.857,206-442-2,342-69-8,6-(methylthio)-9-ß-D-ribofuranosyl-9H-purine,6-(methylsulfanyl)-9-beta-D-ribofuranosyl-9H-purine,CSc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,CSc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,"InChI=1/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3",C11H14N4O4S,,,,,,ZDRFDHHANOYUTE-IOSLPCCCSA-N,,,,,,,,,,,
100.005.010,205-510-9,141-92-4,"8,8-dimethoxy-2,6-dimethyloctan-2-ol","8,8-dimethoxy-2,6-dimethyloctan-2-ol",COC(CC(C)CCCC(C)(C)O)OC,COC(CC(C)CCCC(C)(C)O)OC,"InChI=1/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3",C12H26O3,,,,,,QCJVKUULZGKQDG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.011,205-511-4,141-93-5,m-diethylbenzene,"1,3-diethylbenzene",CCc1cccc(CC)c1,CCc1cccc(CC)c1,"InChI=1/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3",C10H14,,,,,,AFZZYIJIWUTJFO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.017,205-518-2,142-03-0,Bis(acetato-O)hydroxyaluminium,aluminum hydroxide diacetate,CC(=O)O[Al](O)OC(=O)C,CC(=O)O[Al](O)OC(=O)C,"InChI=1/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3/rC4H7AlO5/c1-3(6)9-5(8)10-4(2)7/h8H,1-2H3",C4H7AlO5,,,,,,HQQUTGFAWJNQIP-UHFFFAOYSA-K,,,,,,,,,,,
100.005.018,205-519-8,142-04-1,Anilinium chloride,anilinium chloride,[Cl-].[NH3+]c1ccccc1,[Cl-].[NH3+]c1ccccc1,"InChI=1/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H",C6H7N.ClH,,,,,,MMCPOSDMTGQNKG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.021,205-522-4,142-15-4,Sodium 2-sulphonatoethyl oleate,sodium 2-(oleoyloxy)ethanesulfonate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)OCCS(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)OCCS(=O)(=O)[O-],"InChI=1/C20H38O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h9-10H,2-8,11-19H2,1H3,(H,22,23,24);/q;+1/p-1",C20H38O5S.Na,,,,,,MCFLGJDKSROECH-KVVVOXFISA-M,,,,,,,,,,,
100.005.022,205-524-5,142-16-5,Bis(2-ethylhexyl) maleate,bis(2-ethylhexyl) but-2-enedioate,CCCCC(CC)COC(=O)\\C=C/C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)\C=C/C(=O)OCC(CC)CCCC,"InChI=1/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3",C20H36O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14675,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.022,ROPXFXOUUANXRR-YPKPFQOOSA-N,,,,,,,,,,,
100.004.698,205-167-5,134-96-3,"4-hydroxy-3,5-dimethoxybenzaldehyde","4-hydroxy-3,5-dimethoxybenzaldehyde",COc1cc(C=O)cc(OC)c1O,COc1cc(C=O)cc(OC)c1O,"InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3",C9H10O4,,,,,,KCDXJAYRVLXPFO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.701,205-170-1,135-01-3,o-diethylbenzene,"1,2-diethylbenzene",CCc1ccccc1CC,CCc1ccccc1CC,"InChI=1/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3",C10H14,,,,,,KVNYFPKFSJIPBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.710,205-180-6,135-15-9,"1,4-dibutoxy-2-nitrobenzene","1,4-dibutoxy-2-nitrobenzene",CCCCOc1ccc(OCCCC)c(c1)[N+](=O)[O-],CCCCOc1ccc(OCCCC)c(c1)[N+](=O)[O-],"InChI=1/C14H21NO4/c1-3-5-9-18-12-7-8-14(19-10-6-4-2)13(11-12)15(16)17/h7-8,11H,3-6,9-10H2,1-2H3",C14H21NO4,,,,,,UVLGMZCLSQBSPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.717,205-187-4,135-37-5,Disodium 2-hydroxyethyliminodi(acetate),"disodium 2,2'-[(2-hydroxyethyl)imino]diacetate",[Na+].[Na+].OCCN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].OCCN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C6H11NO5.2Na/c8-2-1-7(3-5(9)10)4-6(11)12;;/h8H,1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2",C6H11NO5.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11665,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.717,ZTVCAEHRNBOTLI-UHFFFAOYSA-L,,,,,,,,,,,
100.004.721,205-192-1,135-45-5,"2',5'-dimethoxybenzanilide","N-(2,5-dimethoxyphenyl)benzamide",COc1ccc(OC)c(NC(=O)c2ccccc2)c1,COc1ccc(OC)c(NC(=O)c2ccccc2)c1,"InChI=1/C15H15NO3/c1-18-12-8-9-14(19-2)13(10-12)16-15(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17)",C15H15NO3,,,,,,BDSUMUIBCNKLIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.724,205-195-8,135-50-2,"Disodium 3-aminonaphthalene-2,7-disulphonate","disodium 3-aminonaphthalene-2,7-disulfonate",[Na+].[Na+].Nc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H9NO6S2.2Na,,,,,,YCBINYVMSDDQKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.004.725,205-196-3,135-51-3,"Disodium 3-hydroxynaphthalene-2,7-disulphonate","disodium 3-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2Na,,,,,,VNEBWJSWMVTSHK-UHFFFAOYSA-L,,,,,,,,,,,
100.004.729,205-201-9,135-57-9,"N,N'-dithiodi-o-phenylenedibenzamide","N,N'-(disulfanediyldi-2,1-phenylene)dibenzamide",O=C(Nc1ccccc1SSc2ccccc2NC(=O)c3ccccc3)c4ccccc4,O=C(Nc1ccccc1SSc2ccccc2NC(=O)c3ccccc3)c4ccccc4,"InChI=1/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)",C26H20N2O2S2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5249,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.729,ZHMIOPLMFZVSHY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.736,205-209-2,135-65-9,3-hydroxy-3'-nitro-2-naphthanilide,3-hydroxy-N-(3-nitrophenyl)-2-naphthamide,Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)N(=O)=O,Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)N(=O)=O,"InChI=1/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)",C17H12N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18978,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.736,YZJSKRBKHCLMQC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.738,205-211-3,135-68-2,4'-chlorobiphenyl-4-ylamine,4'-chlorobiphenyl-4-amine,Nc1ccc(cc1)c2ccc(Cl)cc2,Nc1ccc(cc1)c2ccc(Cl)cc2,"InChI=1/C12H10ClN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2",C12H10ClN,,,,,,OREQWMWYRYXCDF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.016,204-417-0,120-68-3,6-[(4-amino-m-tolyl)azo]toluene-3-sulphonic acid,4-[(4-amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid,OS(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1)c(C)c2,OS(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1)c(C)c2,"InChI=1/C14H15N3O3S/c1-9-7-11(3-5-13(9)15)16-17-14-6-4-12(8-10(14)2)21(18,19)20/h3-8H,15H2,1-2H3,(H,18,19,20)",C14H15N3O3S,,,,,,OLDIJSAKWOOHRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.028,204-430-1,120-85-4,"1,2,4-trimethylpiperazine","1,2,4-trimethylpiperazine",CC1CN(C)CCN1C,CC1CN(C)CCN1C,"InChI=1/C7H16N2/c1-7-6-8(2)4-5-9(7)3/h7H,4-6H2,1-3H3",C7H16N2,,,,,,UAIVFDJJMVMUGY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.029,204-431-7,120-86-5,"N,N'-bis(2-hydroxyethyl)dithiooxamide","N,N'-bis[(2-hydroxyethyl)disulfanyl]ethanediamide",OCCSSNC(=O)C(=O)NSSCCO,OCCSSNC(=O)C(=O)NSSCCO,"InChI=1/C6H12N2O4S4/c9-1-3-13-15-7-5(11)6(12)8-16-14-4-2-10/h9-10H,1-4H2,(H,7,11)(H,8,12)",C6H12N2O2S2,,,,,,KPFQSROENNOATI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.031,204-433-8,120-88-7,"N,N'-didodecyldithiooxamide","N,N'-bis(dodecyldisulfanyl)ethanediamide",CCCCCCCCCCCCSSNC(=O)C(=O)NSSCCCCCCCCCCCC,CCCCCCCCCCCCSSNC(=O)C(=O)NSSCCCCCCCCCCCC,"InChI=1/C26H52N2O2S4/c1-3-5-7-9-11-13-15-17-19-21-23-31-33-27-25(29)26(30)28-34-32-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)",C26H52N2S2,,,,,,UTBTZGCROIBYNO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.032,204-434-3,120-89-8,Imidazoletrione,"imidazolidine-2,4,5-trione",O=C1NC(=O)C(=O)N1,O=C1NC(=O)C(=O)N1,"InChI=1/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)",C3H2N2O3,,,,,,ZFLIKDUSUDBGCD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.034,204-436-4,120-93-4,2-imidazolidone,imidazolidin-2-one,O=C1NCCN1,O=C1NCCN1,"InChI=1/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)",C3H6N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12504,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.034,YAMHXTCMCPHKLN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.044,204-447-4,121-05-1,2-aminoethyldiisopropylamine,"N,N-diisopropylethane-1,2-diamine",CC(C)N(CCN)C(C)C,CC(C)N(CCN)C(C)C,"InChI=1/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3",C8H20N2,,,,,,CURJNMSGPBXOGK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.788,203-066-0,102-96-5,ß-nitrostyrene,(2-nitrovinyl)benzene,[O-][N+](=O)\\C=C\\c1ccccc1,[O-][N+](=O)\C=C\c1ccccc1,InChI=1/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,C8H7NO2,,,,,,PIAOLBVUVDXHHL-VOTSOKGWSA-N,,,,,,,,,,,
100.002.789,203-067-6,102-97-6,N-isopropylbenzylamine,N-benzylpropan-2-amine,CC(C)NCc1ccccc1,CC(C)NCc1ccccc1,"InChI=1/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",C10H15N,,,,,,LYBKPDDZTNUNNM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.798,203-077-0,103-07-1,"1,1-dimethyl-3-phenylpropyl acetate","1,1-dimethyl-3-phenylpropyl acetate",CC(=O)OC(C)(C)CCc1ccccc1,CC(=O)OC(C)(C)CCc1ccccc1,"InChI=1/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3",C13H18O2,,,,,,ZXFNOEJFYLQUSB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.799,203-078-6,103-08-2,5-ethylnonan-2-ol,5-ethylnonan-2-ol,CCCCC(CC)CCC(C)O,CCCCC(CC)CCC(C)O,"InChI=1/C11H24O/c1-4-6-7-11(5-2)9-8-10(3)12/h10-12H,4-9H2,1-3H3",C11H24O,,,,,,WYXKGYXADPUOOM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.802,203-081-2,103-12-8,"p-[(2,4-diaminophenyl)azo]benzenesulphonamide","4-[(2,4-diaminophenyl)diazenyl]benzenesulfonamide",NS(=O)(=O)c2ccc(N=Nc1ccc(N)cc1N)cc2,NS(=O)(=O)c2ccc(N=Nc1ccc(N)cc1N)cc2,"InChI=1/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)",C12H13N5O2S,,,,,,ABBQGOCHXSPKHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.805,203-084-9,103-17-3,Chlorbenside,1-chloro-4-[(4-chlorobenzyl)sulfanyl]benzene,Clc1ccc(CSc2ccc(Cl)cc2)cc1,Clc1ccc(CSc2ccc(Cl)cc2)cc1,"InChI=1/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2",C13H10Cl2S,,,,,,ZHLKXBJTJHRTTE-UHFFFAOYSA-N,,,,,,,,,,,
100.002.809,203-089-6,103-21-9,[1-methyl-3-(4-methylphenyl)triazen-2-yl]acetic acid,[1-methyl-3-(4-methylphenyl)triaz-2-en-1-yl]acetic acid,CN(CC(=O)O)N=Nc1ccc(C)cc1,CN(CC(=O)O)N=Nc1ccc(C)cc1,"InChI=1/C10H13N3O2/c1-8-3-5-9(6-4-8)11-12-13(2)7-10(14)15/h3-6H,7H2,1-2H3,(H,14,15)",C10H13N3O2,,,,,,KOTDNLISXGEHNY-UHFFFAOYSA-N,,,,,,,,,,,
100.002.816,203-096-4,103-29-7,"1,2-diphenylethane","1,1'-ethane-1,2-diyldibenzene",C(Cc1ccccc1)c2ccccc2,C(Cc1ccccc1)c2ccccc2,"InChI=1/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14,,,,,,QWUWMCYKGHVNAV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.822,203-104-6,103-36-6,Ethyl cinnamate,ethyl 3-phenylacrylate,CCOC(=O)\\C=C\\c1ccccc1,CCOC(=O)\C=C\c1ccccc1,"InChI=1/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3",C11H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16754,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.822,KBEBGUQPQBELIU-CMDGGOBGSA-N,,,,,,,,,,,
100.002.826,203-108-8,103-40-2,Benzyl hydrogen succinate,4-(benzyloxy)-4-oxobutanoic acid,OC(=O)CCC(=O)OCc1ccccc1,OC(=O)CCC(=O)OCc1ccccc1,"InChI=1/C11H12O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)",C11H12O4,,,,,,UGUBQKZSNQWWEV-UHFFFAOYSA-N,,,,,,,,,,,
100.002.828,203-110-9,103-43-5,Dibenzyl succinate,dibenzyl succinate,O=C(CCC(=O)OCc1ccccc1)OCc2ccccc2,O=C(CCC(=O)OCc1ccccc1)OCc2ccccc2,"InChI=1/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2",C18H18O4,,,,,,ODBOBZHTGBGYCK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.438,204-880-9,128-33-6,"5-a-cholesta-8,24-dien-3-ß-ol","cholesta-8,24-dien-3-ol",CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)CC4CC3,CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)CC4CC3,"InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3",C27H44O,,,,,,CGSJXLIKVBJVRY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.444,204-887-7,128-45-0,Streptomycin B,"N,N'''-(2,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->4)-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1->2)-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]oxy}cyclohexane-1,3-diyl)diguanidine",CN[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](CO)O[C@H]1O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]4NC(=N)N)O[C@@H](C)[C@]3(O)C=O,CN[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](CO)O[C@H]1O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]4NC(=N)N)O[C@@H](C)[C@]3(O)C=O,"InChI=1/C27H49N7O17/c1-6-27(45,5-37)21(24(46-6)50-20-10(34-26(30)31)13(39)9(33-25(28)29)14(40)17(20)43)51-22-11(32-2)15(41)19(8(4-36)48-22)49-23-18(44)16(42)12(38)7(3-35)47-23/h5-24,32,35-36,38-45H,3-4H2,1-2H3,(H4,28,29,33)(H4,30,31,34)",C27H49N7O17,,,,,,HQXKELRFXWJXNP-FJYWXVICSA-N,,,,,,,,,,,
100.004.446,204-889-8,128-49-4,"Calcium 1,4-bis(2-ethylhexyl) bis(2-sulphosuccinate)","calcium bis{1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate}",CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O[Ca]OS(=O)(=O)C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O[Ca]OS(=O)(=O)C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,"InChI=1/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2/rC40H74CaO14S2/c1-9-17-21-31(13-5)27-50-37(42)25-35(39(44)52-29-33(15-7)23-19-11-3)56(46,47)54-41-55-57(48,49)36(40(45)53-30-34(16-8)24-20-12-4)26-38(43)51-28-32(14-6)22-18-10-2/h31-36H,9-30H2,1-8H3",C20H38O7S.1/2Ca,,,,,,DWKPZOZZBLWFJX-UHFFFAOYSA-L,,,,,,,,,,,
100.004.452,204-896-6,128-58-5,"16,17-dimethoxyviolanthrene-5,10-dione","16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",COc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(OC)c(c1c5c24)c6c79,COc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(OC)c(c1c5c24)c6c79,"InChI=1/C36H20O4/c1-39-27-15-25-17-7-3-5-9-21(17)35(37)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)38)16-28(40-2)34(32(20)30)33(27)31(19)29(23)25/h3-16H,1-2H3",C36H20O4,,,,,,JXUKQCUPTNLTCS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.453,204-897-1,128-59-6,"16,17-dihydroxyviolanthrene-5,10-dione","16,17-dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",Oc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(O)c(c1c5c24)c6c79,Oc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(O)c(c1c5c24)c6c79,"InChI=1/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H",C34H16O4,,,,,,MGYICCKROPVHMA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.454,204-898-7,128-60-9,"16-nitroviolanthrene-5,10-dione","16-nitroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",O=C1c2ccccc2c3ccc4c5c(cc6c7ccccc7C(=O)c8ccc(c9ccc1c3c49)c5c68)N(=O)=O,O=C1c2ccccc2c3ccc4c5c(cc6c7ccccc7C(=O)c8ccc(c9ccc1c3c49)c5c68)N(=O)=O,InChI=1/C34H15NO4/c36-33-21-7-3-1-5-16(21)18-9-12-23-28-19(10-13-24(33)29(18)28)20-11-14-25-30-26(15-27(35(38)39)31(23)32(20)30)17-6-2-4-8-22(17)34(25)37/h1-15H,C34H15NO4,,,,,,LNNHYUOWYOSHPH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.455,204-899-2,128-62-1,Noscapine,"6,7-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one",COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34,COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34,"InChI=1/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3",C22H23NO7,,,,,,AKNNEGZIBPJZJG-MSOLQXFVSA-N,,,,,,,,,,,
100.004.458,204-902-7,128-65-4,"2,9-diphenylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-diphenylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",O=C1N(C(=O)c2ccc3c4ccc5C(=O)N(C(=O)c6ccc(c7ccc1c2c37)c4c56)c8ccccc8)c9ccccc9,O=C1N(C(=O)c2ccc3c4ccc5C(=O)N(C(=O)c6ccc(c7ccc1c2c37)c4c56)c8ccccc8)c9ccccc9,InChI=1/C36H18N2O4/c39-33-25-15-11-21-23-13-17-27-32-28(36(42)38(35(27)41)20-9-5-2-6-10-20)18-14-24(30(23)32)22-12-16-26(31(25)29(21)22)34(40)37(33)19-7-3-1-4-8-19/h1-18H,C36H18N2O4,,,,,,OGEZSLXPCKHGKO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.459,204-903-2,128-66-5,"Dibenzo[b,def]chrysene-7,14-dione","dibenzo[c,pqr]tetraphene-7,14-dione",O=C1c2ccccc2c3ccc4C(=O)c5ccccc5c6ccc1c3c46,O=C1c2ccccc2c3ccc4C(=O)c5ccccc5c6ccc1c3c46,InChI=1/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H,C24H12O2,,,,,,ZTWQZJLUUZHJGS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.465,204-910-0,128-81-4,"4,11-diamino-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone","4,11-diamino-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",Nc1c2C(=O)NC(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c13,Nc1c2C(=O)NC(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C16H9N3O4/c17-11-7-8(12(18)10-9(11)15(22)19-16(10)23)14(21)6-4-2-1-3-5(6)13(7)20/h1-4H,17-18H2,(H,19,22,23)",C16H9N3O4,,,,,,UOBRDAVIVQKFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.475,204-921-0,128-94-9,"1,8-diamino-4,5-dihydroxyanthraquinone","1,8-diamino-4,5-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(O)ccc(N)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(O)ccc(N)c3C(=O)c12,"InChI=1/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)10-6(16)2-4-8(18)12(10)14(11)20/h1-4,17-18H,15-16H2",C14H10N2O4,,,,,,SJHHHHHQWQOCDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.858,206-443-8,343-27-1,Harmine hydrochloride,7-methoxy-1-methyl-9H-beta-carboline hydrochloride,Cl.COc1ccc2c(c1)[nH]c3c(C)nccc23,Cl.COc1ccc2c(c1)[nH]c3c(C)nccc23,"InChI=1/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H",C13H12N2O.ClH,,,,,,VNPLYCKZIUTKJM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.862,206-448-5,344-03-6,"1,4-dibromotetrafluorobenzene","1,4-dibromo-2,3,5,6-tetrafluorobenzene",Fc1c(F)c(Br)c(F)c(F)c1Br,Fc1c(F)c(Br)c(F)c(F)c1Br,InChI=1/C6Br2F4/c7-1-3(9)5(11)2(8)6(12)4(1)10,C6Br2F4,,,,,,QFTZULJNRAHOIY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.867,206-453-2,344-62-7,N-[2-(trifluoromethyl)phenyl]acetamide,N-[2-(trifluoromethyl)phenyl]acetamide,CC(=O)Nc1ccccc1C(F)(F)F,CC(=O)Nc1ccccc1C(F)(F)F,"InChI=1/C9H8F3NO/c1-6(14)13-8-5-3-2-4-7(8)9(10,11)12/h2-5H,1H3,(H,13,14)",C9H8F3NO,,,,,,OXDTZGRSCDEKGO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.870,206-456-9,345-17-5,1-chloro-4-fluoro-2-nitrobenzene,1-chloro-4-fluoro-2-nitrobenzene,[O-][N+](=O)c1cc(F)ccc1Cl,[O-][N+](=O)c1cc(F)ccc1Cl,InChI=1/C6H3ClFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,C6H3ClFNO2,,,,,,DVXDJQKEEKXJBW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.873,206-460-0,345-35-7,a-chloro-2-fluorotoluene,1-(chloromethyl)-2-fluorobenzene,Fc1ccccc1CCl,Fc1ccccc1CCl,"InChI=1/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",C7H6ClF,,,,,,MOBRMRJUKNQBMY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.881,207-568-0,481-40-3,"Naphthalene-1,4,5-triol","naphthalene-1,4,5-triol",Oc1ccc(O)c2c(O)cccc12,Oc1ccc(O)c2c(O)cccc12,"InChI=1/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H",C10H8O3,,,,,,NHEVNUARLCWEED-UHFFFAOYSA-N,,,,,,,,,,,
100.006.883,207-570-1,481-53-8,"5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone","5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one",COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2,COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2,"InChI=1/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3",C20H20O7,,,,,,ULSUXBXHSYSGDT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.888,207-575-9,481-97-0,"3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate","17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate",C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O,"InChI=1/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)",C18H22O5S,,,,,,JKKFKPJIXZFSSB-CBZIJGRNSA-N,,,,,,,,,,,
100.006.892,207-580-6,482-36-0,"2-(3,4-dihydroxyphenyl)-3-(ß-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-galactopyranoside",OC[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",C21H20O12,,,,,,OVSQVDMCBVZWGM-DTGCRPNFSA-N,,,,,,,,,,,
100.005.538,206-091-5,300-38-9,"3,5-dibromo-L-tyrosine","3,5-dibromotyrosine",N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O,N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O,"InChI=1/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)",C9H9Br2NO3,,,,,,COESHZUDRKCEPA-ZETCQYMHSA-N,,,,,,,,,,,
100.005.542,206-095-7,300-57-2,Allylbenzene,allylbenzene,C=CCc1ccccc1,C=CCc1ccccc1,"InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2",C9H10,,,,,,HJWLCRVIBGQPNF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.543,206-096-2,300-62-9,Amphetamine,1-phenylpropan-2-amine,CC(N)Cc1ccccc1,CC(N)Cc1ccccc1,"InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",C9H13N,,,,,,KWTSXDURSIMDCE-UHFFFAOYSA-N,Positive,AU154001|AU154002;EA282201|EA282202|EA282203|EA282204|EA282205|EA282206|EA282207|EA282208|EA282209|EA282210|EA282211|EA282212|EA282213|EA282214,[M+H]+;[M+H]+,CID10|CID20;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,119.0859:136.1124:120.0892|119.085;119.0857:91.0543:136.1122|119.0856:136.1122:91.0543|91.0543:119.0856:136.1122|91.0544:119.0855:136.1118|91.0543:119.0854:65.0385|91.0544:65.0384|91.0543:65.0386|119.0856:136.1122:91.0543|91.0543:119.0856:136.1122|91.0543:119.0856:136.1122|91.0543:119.0856:65.0386|91.0543:119.0858:65.0386|91.0543:65.0386:119.0861|119.0856:91.0543:136.1122,Athens_Univ;Eawag,,,,,
100.005.559,206-113-3,301-19-9,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-galactopyranosyl]oxy]-7-[(6-deoxy-a-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4C3=O)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4C3=O)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3",C33H40O19,,,,,,PEFASEPMJYRQBW-HKWQTAEVSA-N,,,,,,,,,,,
100.005.570,206-125-9,302-66-9,1-ethyl-1-methylprop-2-ynyl carbamate,1-ethyl-1-methylprop-2-yn-1-yl carbamate,CCC(C)(OC(=O)N)C#C,CCC(C)(OC(=O)N)C#C,"InChI=1/C7H11NO2/c1-4-7(3,5-2)10-6(8)9/h1H,5H2,2-3H3,(H2,8,9)",C7H11NO2,,,,,,GXCDLJXPZVCHBX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.404,204-843-7,127-43-5,"1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one","1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one",CC1(C)CCCC(\\C)=C1\\C=CC(=O)CC,CC1(C)CCCC(\C)=C1\C=CC(=O)CC,"InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3",C14H22O,,,,,,LMWNGLDCJDIIBR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.408,204-847-9,127-52-6,Sodium N-chlorobenzenesulphonamide,sodium chloro(phenylsulfonyl)azanide,[Na+].O=S(=O)([N-]Cl)c1ccccc1,[Na+].O=S(=O)([N-]Cl)c1ccccc1,"InChI=1/C6H5ClNO2S.Na/c7-8-11(9,10)6-4-2-1-3-5-6;/h1-5H;/q-1;+1",C6H6ClNO2S.Na,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6726,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.408,KDNCILYKSYKEFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.409,204-848-4,127-56-0,Sulfacetamide sodium,-,[Na+].CC(=O)NS(=O)(=O)c1ccc(N)cc1,[Na+].CC(=O)NS(=O)(=O)c1ccc(N)cc1,"InChI=1/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1",C8H10N2O3S.Na,,,,,,PQMSFAORUFMASU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.417,204-857-3,127-68-4,Sodium 3-nitrobenzenesulphonate,sodium 3-nitrobenzenesulfonate,[Na+].[O-][N+](=O)c1cccc(c1)S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1cccc(c1)S(=O)(=O)[O-],"InChI=1/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1",C6H5NO5S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15792,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.417,LJRGBERXYNQPJI-UHFFFAOYSA-M,,,,,,,,,,,
100.004.420,204-861-5,127-73-1,N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulphonyl]phenyl]acetamide,N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccc(C)n2,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccc(C)n2,"InChI=1/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H,16,18)(H,14,15,17)",C13H14N4O3S,,,,,,PHFJZKMLXDFUNB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.434,204-876-7,128-04-1,Sodium dimethyldithiocarbamate,sodium dimethyldithiocarbamate,[Na+].CN(C)C(=S)[S-],[Na+].CN(C)C(=S)[S-],"InChI=1/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1",C3H7NS2.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13669,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.434,VMSRVIHUFHQIAL-UHFFFAOYSA-M,,,,,,,,,,,
100.004.441,204-884-0,128-39-2,"2,6-di-tert-butylphenol","2,6-di-tert-butylphenol",CC(C)(C)c1cccc(c1O)C(C)(C)C,CC(C)(C)c1cccc(c1O)C(C)(C)C,"InChI=1/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3",C14H22O,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1746,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.441,DKCPKDPYUFEZCP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.449,204-892-4,128-53-0,N-ethylmaleimide,"1-ethyl-1H-pyrrole-2,5-dione",CCN1C(=O)C=CC1=O,CCN1C(=O)C=CC1=O,"InChI=1/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3",C6H7NO2,,,,,,HDFGOPSGAURCEO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.456,204-900-6,128-63-2,"1,3,6,8-tetrabromopyrene","1,3,6,8-tetrabromopyrene",Brc1cc(Br)c2ccc3c(Br)cc(Br)c4ccc1c2c34,Brc1cc(Br)c2ccc3c(Br)cc(Br)c4ccc1c2c34,InChI=1/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H,C16H6Br4,,,,,,ZKBKRTZIYOKNRG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.466,204-911-6,128-83-6,1-amino-2-bromo-4-p-toluidinoanthraquinone,"1-amino-2-bromo-4-[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)cc1,Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C21H15BrN2O2/c1-11-6-8-12(9-7-11)24-16-10-15(22)19(23)18-17(16)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,24H,23H2,1H3",C21H15BrN2O2,,,,,,SPDRRRCQUXHHLH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.484,204-931-5,129-09-9,"2,8-diphenylanthra[2,1-d:6,5-d']bisthiazole-6,12-dione","2,8-diphenylanthra[2,1-d:6,5-d']bis[1,3]thiazole-6,12-dione",O=C1c2ccc3nc(sc3c2C(=O)c4ccc5nc(sc5c14)c6ccccc6)c7ccccc7,O=C1c2ccc3nc(sc3c2C(=O)c4ccc5nc(sc5c14)c6ccccc6)c7ccccc7,InChI=1/C28H14N2O2S2/c31-23-18-12-14-20-26(34-28(30-20)16-9-5-2-6-10-16)22(18)24(32)17-11-13-19-25(21(17)23)33-27(29-19)15-7-3-1-4-8-15/h1-14H,C28H14N2O2S2,,,,,,GFFQNEGBFFGLQG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.485,204-932-0,129-15-7,2-methyl-1-nitroanthraquinone,"2-methyl-1-nitro-9,10-anthraquinone",Cc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],Cc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],"InChI=1/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3",C15H9NO4,,,,,,FYXKXZFTZBYYNP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.491,204-938-3,129-28-2,"N,N'-[iminobis(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]bis(benzamide)","N,N'-[iminobis(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]dibenzamide",O=C(Nc1cccc2C(=O)c3c(Nc4cccc5C(=O)c6c(NC(=O)c7ccccc7)cccc6C(=O)c45)cccc3C(=O)c12)c8ccccc8,O=C(Nc1cccc2C(=O)c3c(Nc4cccc5C(=O)c6c(NC(=O)c7ccccc7)cccc6C(=O)c45)cccc3C(=O)c12)c8ccccc8,"InChI=1/C42H25N3O6/c46-37-27-17-9-21-31(44-41(50)23-11-3-1-4-12-23)35(27)39(48)25-15-7-19-29(33(25)37)43-30-20-8-16-26-34(30)38(47)28-18-10-22-32(36(28)40(26)49)45-42(51)24-13-5-2-6-14-24/h1-22,43H,(H,44,50)(H,45,51)",C42H25N3O6,,,,,,INRJLKFJRQCGOR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.499,204-947-2,129-44-2,"1,5-diaminoanthraquinone","1,5-diamino-9,10-anthraquinone",Nc1cccc2C(=O)c3c(N)cccc3C(=O)c12,Nc1cccc2C(=O)c3c(N)cccc3C(=O)c12,"InChI=1/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2",C14H10N2O2,,,,,,VWBVCOPVKXNMMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.834,203-117-7,103-49-1,Dibenzylamine,N-benzyl-1-phenylmethanamine,C(NCc1ccccc1)c2ccccc2,C(NCc1ccccc1)c2ccccc2,"InChI=1/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2",C14H15N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11844,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.834,BWLUMTFWVZZZND-UHFFFAOYSA-N,,,,,,,,,,,
100.002.843,203-127-1,103-60-6,2-phenoxyethyl isobutyrate,2-phenoxyethyl 2-methylpropanoate,CC(C)C(=O)OCCOc1ccccc1,CC(C)C(=O)OCCOc1ccccc1,"InChI=1/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5583,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.843,MJTPMXWJHPOWGH-UHFFFAOYSA-N,,,,,,,,,,,
100.002.844,203-128-7,103-61-7,Cinnamyl butyrate,3-phenylprop-2-en-1-yl butyrate,CCCC(=O)OC\\C=C\\c1ccccc1,CCCC(=O)OC\C=C\c1ccccc1,"InChI=1/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3",C13H16O2,,,,,,YZYPQKZWNXANRB-UXBLZVDNSA-N,,,,,,,,,,,
100.002.851,203-136-0,103-70-8,Formanilide,N-phenylformamide,O=CNc1ccccc1,O=CNc1ccccc1,"InChI=1/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)",C7H7NO,,,,,,DYDNPESBYVVLBO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.852,203-137-6,103-71-9,Phenyl isocyanate,isocyanatobenzene,O=C=Nc1ccccc1,O=C=Nc1ccccc1,InChI=1/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H,C7H5NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12563,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.852,DGTNSSLYPYDJGL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.862,203-148-6,103-82-2,Phenylacetic acid,phenylacetic acid,OC(=O)Cc1ccccc1,OC(=O)Cc1ccccc1,"InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",C8H8O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11895,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.862,WLJVXDMOQOGPHL-UHFFFAOYSA-N,,,,,,,,,,,
100.002.878,203-165-9,103-99-1,N-4-hydroxyphenylstearamide,N-(4-hydroxyphenyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1,"InChI=1/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-22-18-20-23(26)21-19-22/h18-21,26H,2-17H2,1H3,(H,25,27)",C24H41NO2,,,,,,YASWBJXTHOXPGK-UHFFFAOYSA-N,,,,,,,,,,,
100.002.879,203-166-4,104-01-8,4-methoxyphenylacetic acid,(4-methoxyphenyl)acetic acid,COc1ccc(CC(=O)O)cc1,COc1ccc(CC(=O)O)cc1,"InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18981,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.879,NRPFNQUDKRYCNX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.890,203-179-5,104-14-3,Octopamine,4-(2-amino-1-hydroxyethyl)phenol,NCC(O)c1ccc(O)cc1,NCC(O)c1ccc(O)cc1,"InChI=1/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2",C8H11NO2,,,,,,QHGUCRYDKWKLMG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.892,203-181-6,104-16-5,1-(3-chloropropyl)-4-methylpiperazine,1-(3-chloropropyl)-4-methylpiperazine,CN1CCN(CCCCl)CC1,CN1CCN(CCCCl)CC1,"InChI=1/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3",C8H17ClN2,,,,,,AUERUDPETOKUPT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.895,203-184-2,104-20-1,4-(4-methoxyphenyl)butan-2-one,4-(4-methoxyphenyl)butan-2-one,COc1ccc(CCC(=O)C)cc1,COc1ccc(CCC(=O)C)cc1,"InChI=1/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3",C11H14O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16746,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.895,PCBSXBYCASFXTM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.904,203-194-7,104-31-4,Benzonatate,"3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl 4-(butylamino)benzoate",CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,"InChI=1/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3",C30H53NO11,,,,,,MAFMQEKGGFWBAB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.908,203-198-9,104-39-2,2-[2-(p-tolyloxy)ethoxy]ethanol,2-[2-(4-methylphenoxy)ethoxy]ethanol,Cc1ccc(OCCOCCO)cc1,Cc1ccc(OCCOCCO)cc1,"InChI=1/C11H16O3/c1-10-2-4-11(5-3-10)14-9-8-13-7-6-12/h2-5,12H,6-9H2,1H3",C11H16O3,,,,,,DXYXGWDDTLAPGM-UHFFFAOYSA-N,,,,,,,,,,,
100.002.912,203-202-9,104-43-8,p-dodecylphenol,4-dodecylphenol,CCCCCCCCCCCCc1ccc(O)cc1,CCCCCCCCCCCCc1ccc(O)cc1,"InChI=1/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3",C18H30O,,,,,,KJWMCPYEODZESQ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.916,203-207-6,104-49-4,p-phenylene diisocyanate,"1,4-diisocyanatobenzene",O=C=Nc1ccc(cc1)N=C=O,O=C=Nc1ccc(cc1)N=C=O,InChI=1/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H,C8H4N2O2,,,,,,ALQLPWJFHRMHIU-UHFFFAOYSA-N,,,,,,,,,,,
100.002.918,203-209-7,104-51-8,Butylbenzene,butylbenzene,CCCCc1ccccc1,CCCCc1ccccc1,"InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",C10H14,,,,,,OCKPCBLVNKHBMX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.920,203-211-8,104-53-0,3-phenylpropionaldehyde,3-phenylpropanal,O=CCCc1ccccc1,O=CCCc1ccccc1,"InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2",C9H10O,,,,,,YGCZTXZTJXYWCO-UHFFFAOYSA-N,,,,,,,,,,,
100.002.928,203-220-7,104-62-1,Phenethyl formate,2-phenylethyl formate,O=COCCc1ccccc1,O=COCCc1ccccc1,"InChI=1/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2",C9H10O2,,,,,,IKDIJXDZEYHZSD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.931,203-223-3,104-65-4,Cinnamyl formate,3-phenylprop-2-en-1-yl formate,O=COC\\C=C\\c1ccccc1,O=COC\C=C\c1ccccc1,"InChI=1/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2",C10H10O2,,,,,,LBHJXKYRYCUGPD-QPJJXVBHSA-N,,,,,,,,,,,
100.004.477,204-923-1,128-96-1,"4,5-dichloro-1-nitroanthraquinone","4,5-dichloro-1-nitro-9,10-anthraquinone",[O-][N+](=O)c1ccc(Cl)c2C(=O)c3c(Cl)cccc3C(=O)c12,[O-][N+](=O)c1ccc(Cl)c2C(=O)c3c(Cl)cccc3C(=O)c12,InChI=1/C14H5Cl2NO4/c15-7-3-1-2-6-10(7)14(19)11-8(16)4-5-9(17(20)21)12(11)13(6)18/h1-5H,C14H5Cl2NO4,,,,,,KBVOCALKCZCXKK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.480,204-926-8,128-99-4,"1-amino-4-(3-amino-4-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(3-amino-4-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)ccc1S(=O)(=O)O,Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)ccc1S(=O)(=O)O,"InChI=1/C20H15N3O8S2/c21-12-7-9(5-6-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)",C20H15N3O8S2,,,,,,ZOHPJXCEVYGLJT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.488,204-935-7,129-18-0,"4-butyl-1,2-diphenylpyrazolidine-3,5-dione, sodium salt",-,[Na+].CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,[Na+].CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,"InChI=1/C19H20N2O2.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13,17H,2-3,14H2,1H3;/q;+1",C19H19N2O2.Na,,,,,,BSYZHKCQBROKHA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.489,204-936-2,129-20-4,Oxyphenbutazone,"4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione",Oc1ccc(cc1)N3C(=O)C(CCCC)C(=O)N3c2ccccc2,Oc1ccc(cc1)N3C(=O)C(CCCC)C(=O)N3c2ccccc2,"InChI=1/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3",C19H20N2O3,,,,,,HFHZKZSRXITVMK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.490,204-937-8,129-22-6,"1,1'-[(7-oxo-7H-benz[de]-3,9-anthrylene)diimino]dianthraquinone","1,1'-[(7-oxo-7H-benzo[de]anthracene-3,9-diyl)diimino]di(9,10-anthraquinone)",O=C1c2ccccc2C(=O)c3c(Nc4ccc5c(c4)C(=O)c6cccc7c(Nc8cccc9C(=O)c%10ccccc%10C(=O)c89)ccc5c67)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccc5c(c4)C(=O)c6cccc7c(Nc8cccc9C(=O)c%10ccccc%10C(=O)c89)ccc5c67)cccc13,"InChI=1/C45H24N2O5/c48-41-26-8-1-3-10-28(26)44(51)39-32(41)14-6-16-36(39)46-23-18-19-24-25-20-21-35(30-12-5-13-31(38(25)30)43(50)34(24)22-23)47-37-17-7-15-33-40(37)45(52)29-11-4-2-9-27(29)42(33)49/h1-22,46-47H",C45H24N2O5,,,,,,HJWRIENCONWZPB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.494,204-942-5,129-37-3,"9,10-dihydro-8-nitro-9,10-dioxoanthracene-1-sulphonic acid","8-nitro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid",OS(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)[N+](=O)[O-],OS(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)[N+](=O)[O-],"InChI=1/C14H7NO7S/c16-13-7-3-1-5-9(15(18)19)11(7)14(17)12-8(13)4-2-6-10(12)23(20,21)22/h1-6H,(H,20,21,22)",C14H7NO7S,,,,,,VGIVZECXTZAEHI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.497,204-945-1,129-42-0,"1,8-diaminoanthraquinone","1,8-diamino-9,10-anthraquinone",Nc1cccc2C(=O)c3cccc(N)c3C(=O)c12,Nc1cccc2C(=O)c3cccc(N)c3C(=O)c12,"InChI=1/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H,15-16H2",C14H10N2O2,,,,,,QWXDVWSEUJXVIK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.504,204-953-5,129-51-1,Ergometrine hydrogen maleate,"N-(2-hydroxy-1-methylethyl)-6-methyl-9,10-didehydroergoline-8-carboxamide but-2-enedioate (salt)",C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(=O)\\C=C/C(=O)O,C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(=O)\C=C/C(=O)O,"InChI=1/C19H23N3O2.C4H4O4/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)",C19H23N3O2.C4H4O4,,,,,,YREISLCRUMOYAY-IIPCNOPRSA-N,,,,,,,,,,,
100.004.510,204-959-8,129-67-9,Endothal-sodium,"disodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate",[Na+].[Na+].[O-]C(=O)C1C2CCC(O2)C1C(=O)[O-],[Na+].[Na+].[O-]C(=O)C1C2CCC(O2)C1C(=O)[O-],"InChI=1/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H10O5.2Na,,,,,,XRHVZWWRFMCBAZ-UHFFFAOYSA-L,,,,,,,,,,,
100.004.518,204-968-7,129-90-8,8-p-toluidinonaphthalene-1-sulphonic acid,8-[(4-methylphenyl)amino]naphthalene-1-sulfonic acid,Cc1ccc(Nc2cccc3cccc(c23)S(=O)(=O)O)cc1,Cc1ccc(Nc2cccc3cccc(c23)S(=O)(=O)O)cc1,"InChI=1/C17H15NO3S/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)22(19,20)21/h2-11,18H,1H3,(H,19,20,21)",C17H15NO3S,,,,,,FDXOYIGOUGEQBC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.524,204-975-5,130-13-2,Sodium 4-aminonaphthalene-1-sulphonate,sodium 4-aminonaphthalene-1-sulfonate,[Na+].Nc1ccc(c2ccccc12)S(=O)(=O)[O-],[Na+].Nc1ccc(c2ccccc12)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11669,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.524,JWSRMCCRAJUMLX-UHFFFAOYSA-M,,,,,,,,,,,
100.004.528,204-979-7,130-17-6,2-(4-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid,"2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid",Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3,Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3,"InChI=1/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)",C14H12N2O3S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12494,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.528,KGZUHYIHYBDNLC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.573,206-129-0,302-79-4,Tretinoin,retinoic acid,C\\C(=C/C=C/C(=C/C(=O)O)/C)\\C=C\\C1=C(C)CCCC1(C)C,C\C(=C/C=C/C(=C/C(=O)O)/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)",C20H28O2,,,,,,SHGAZHPCJJPHSC-YCNIQYBTSA-N,,,,,,,,,,,
100.005.575,206-131-1,302-91-0,"3-a,11-ß,17-a,21-tetrahydroxy-5-a-pregnan-20-one","3,11,17,21-tetrahydroxypregnan-20-one",CC12CCC(O)CC1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23,CC12CCC(O)CC1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23,"InChI=1/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3",C21H34O5,,,,,,AODPIQQILQLWGS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.578,206-134-8,303-07-1,"2,6-dihydroxybenzoic acid","2,6-dihydroxybenzoic acid",OC(=O)c1c(O)cccc1O,OC(=O)c1c(O)cccc1O,"InChI=1/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)",C7H6O4,,,,,,AKEUNCKRJATALU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.579,206-135-3,303-21-9,"2,6-dinitrothymol","6-isopropyl-3-methyl-2,4-dinitrophenol",CC(C)c1cc(c(C)c(c1O)[N+](=O)[O-])[N+](=O)[O-],CC(C)c1cc(c(C)c(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5/c1-5(2)7-4-8(11(14)15)6(3)9(10(7)13)12(16)17/h4-5,13H,1-3H3",C10H12N2O5,,,,,,XBCVBHKJVWVNID-UHFFFAOYSA-N,,,,,,,,,,,
100.005.580,206-136-9,303-25-3,Cyclizine hydrochloride,1-(diphenylmethyl)-4-methylpiperazine hydrochloride,Cl.CN1CCN(CC1)C(c2ccccc2)c3ccccc3,Cl.CN1CCN(CC1)C(c2ccccc2)c3ccccc3,"InChI=1/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H",C18H22N2.ClH,,,,,,UKPBEPCQTDRZSE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.581,206-137-4,303-26-4,N-(4-chlorobenzhydryl)piperazine,1-[(4-chlorophenyl)(phenyl)methyl]piperazine,Clc1ccc(cc1)C(N2CCNCC2)c3ccccc3,Clc1ccc(cc1)C(N2CCNCC2)c3ccccc3,"InChI=1/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2",C17H19ClN2,,,,,,UZKBSZSTDQSMDR-UHFFFAOYSA-N,Positive,EQ338301|EQ338302|EQ338303|EQ338304|EQ338305|EQ338306|EQ338307|EQ338308|EQ338309;ET030001|ET030002|ET030003|ET030004|ET030005,[M+H]+;[M+H]+,"HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",201.0466:287.1311:165.0691|201.0465:166.0778:165.0697|201.0466:166.0778:165.07|166.0777:201.0466:165.07|166.0777:165.07:201.0466|165.07:166.0777:199.031|165.0699:164.0622:166.0778|165.07:164.0622:115.0543|165.07:163.0544:115.0543;201.0464:166.0772:85.0761|201.0464:166.0776:165.0694|201.0464:166.0777:165.0698|166.0778:165.07:201.0464|166.0775:165.07:201.0464,Eawag;Eawag_Additional_Specs,,,,,
100.005.582,206-139-5,303-38-8,"2,3-dihydroxybenzoic acid","2,3-dihydroxybenzoic acid",OC(=O)c1cccc(O)c1O,OC(=O)c1cccc(O)c1O,"InChI=1/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)",C7H6O4,,,,,,GLDQAMYCGOIJDV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.583,206-140-0,303-40-2,"6a-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-hexanoate","6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate",CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3",C28H39FO5,,,,,,WHZRCUIISKRTJL-YTZKRAOUSA-N,,,,,,,,,,,
100.012.681,213-948-7,1068-57-1,Acetohydrazide,acetohydrazide,CC(=O)NN,CC(=O)NN,"InChI=1/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)",C2H6N2O,,,,,,OFLXLNCGODUUOT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.683,213-950-8,1068-63-9,Dicesium oxalate,dicaesium oxalate,[Cs]OC(=O)C(=O)O[Cs],[Cs]OC(=O)C(=O)O[Cs],"InChI=1/C2H2O4.2Cs/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",C2H2O4.2Cs,,,,,,HEQUOWMMDQTGCX-UHFFFAOYSA-L,,,,,,,,,,,
100.012.689,213-957-6,1069-53-0,"2,3,5-trimethylhexane","2,3,5-trimethylhexane",CC(C)CC(C)C(C)C,CC(C)CC(C)C(C)C,"InChI=1/C9H20/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3",C9H20,,,,,,ODGLTLJZCVNPBU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.696,213-964-4,1070-00-4,Trioctylaluminium,trioctylaluminum,CCCCCCCC[Al](CCCCCCCC)CCCCCCCC,CCCCCCCC[Al](CCCCCCCC)CCCCCCCC,"InChI=1/3C8H17.Al/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;/rC24H51Al/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51Al,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12130,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.696,LFXVBWRMVZPLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.705,213-974-9,1070-40-2,"5-decyne-4,7-diol","dec-5-yne-4,7-diol",CCCC(O)C#CC(O)CCC,CCCC(O)C#CC(O)CCC,"InChI=1/C10H18O2/c1-3-5-9(11)7-8-10(12)6-4-2/h9-12H,3-6H2,1-2H3",C10H18O2,,,,,,DPWCXHJKJXRDBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.709,213-979-6,1070-70-8,"1,4-butanediyl diacrylate","butane-1,4-diyl bisacrylate",C=CC(=O)OCCCCOC(=O)C=C,C=CC(=O)OCCCCOC(=O)C=C,"InChI=1/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2",C10H14O4,,,,,,JHWGFJBTMHEZME-UHFFFAOYSA-N,,,,,,,,,,,
100.012.717,213-988-5,1071-23-4,2-aminoethyl dihydrogen phosphate,2-aminoethyl dihydrogen phosphate,NCCOP(=O)(O)O,NCCOP(=O)(O)O,"InChI=1/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)",C2H8NO4P,,,,,,SUHOOTKUPISOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.720,213-991-1,1071-36-9,Sodium cyanoacetate,sodium cyanoacetate,[Na+].[O-]C(=O)CC#N,[Na+].[O-]C(=O)CC#N,"InChI=1/C3H3NO2.Na/c4-2-1-3(5)6;/h1H2,(H,5,6);/q;+1/p-1",C3H3NO2.Na,,,,,,JAUCIKCNYHCSIR-UHFFFAOYSA-M,,,,,,,,,,,
100.012.722,213-993-2,1071-71-2,Ethyl 6-chloro-6-oxohexanoate,ethyl 6-chloro-6-oxohexanoate,CCOC(=O)CCCCC(=O)Cl,CCOC(=O)CCCCC(=O)Cl,"InChI=1/C8H13ClO3/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3",C8H13ClO3,,,,,,VEOZBFFLKPBVIY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.725,213-996-9,1071-81-4,"2,2,5,5-tetramethylhexane","2,2,5,5-tetramethylhexane",CC(C)(C)CCC(C)(C)C,CC(C)(C)CCC(C)(C)C,"InChI=1/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3",C10H22,,,,,,HXQDUXXBVMMIKL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.500,204-948-8,129-45-3,1-(butylamino)anthraquinone,"1-(butylamino)-9,10-anthraquinone",CCCCNc1cccc2C(=O)c3ccccc3C(=O)c12,CCCCNc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H17NO2/c1-2-3-11-19-15-10-6-9-14-16(15)18(21)13-8-5-4-7-12(13)17(14)20/h4-10,19H,2-3,11H2,1H3",C18H17NO2,,,,,,AHOSCUOPPDQVDR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.502,204-950-9,129-49-7,Methysergide hydrogen maleate,"N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide but-2-enedioate (salt)",CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34.OC(=O)\\C=C/C(=O)O,CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34.OC(=O)\C=C/C(=O)O,"InChI=1/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)",C21H27N3O2.C4H4O4,,,,,,LWYXFDXUMVEZKS-ZVFOLQIPSA-N,,,,,,,,,,,
100.004.525,204-976-0,130-14-3,Sodium naphthalene-1-sulphonate,sodium naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c1cccc2ccccc12,[Na+].[O-]S(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1",C10H8O3S.Na,,,,,,HIEHAIZHJZLEPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.004.539,204-991-2,130-59-6,"8-nitronaphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid","8-nitronaphtho[1,2-d][1,2,3]oxadiazole-5-sulfonic acid",OS(=O)(=O)c1cc2onnc2c3cc(ccc13)[N+](=O)[O-],OS(=O)(=O)c1cc2onnc2c3cc(ccc13)[N+](=O)[O-],"InChI=1/C10H5N3O6S/c14-13(15)5-1-2-6-7(3-5)10-8(19-12-11-10)4-9(6)20(16,17)18/h1-4H,(H,16,17,18)",C10H5N3O6S,,,,,,SQHJNWIFJGDCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.541,204-993-3,130-78-9,"4,4'-(1,2-diethylethylene)bis(anisole)","1,1'-hexane-3,4-diylbis(4-methoxybenzene)",CCC(C(CC)c1ccc(OC)cc1)c2ccc(OC)cc2,CCC(C(CC)c1ccc(OC)cc1)c2ccc(OC)cc2,"InChI=1/C20H26O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14,19-20H,5-6H2,1-4H3",C20H26O2,,,,,,VKVVHAKNGMXJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.552,205-005-3,131-02-2,"Methyl (3ß,19a,20a)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate","methyl 10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate",COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@H]3C[C@H]12,COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@H]3C[C@H]12,"InChI=1/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3",C23H28N2O5,,,,,,FGWJRZQNNZVCHR-BCRCDCHUSA-N,,,,,,,,,,,
100.004.554,205-007-4,131-06-6,"1-ß-D-arabinofuranosyl-5-fluoro-(1H,3H)-pyrimidine-2,4-dione","5-fluoro-1-pentofuranosylpyrimidine-2,4(1H,3H)-dione",OCC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O,OCC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O,"InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)",C9H11FN2O6,,,,,,FHIDNBAQOFJWCA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.562,205-016-3,131-17-9,Diallyl phthalate,diallyl phthalate,C=CCOC(=O)c1ccccc1C(=O)OCC=C,C=CCOC(=O)c1ccccc1C(=O)OCC=C,"InChI=1/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2",C14H14O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12746,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.562,QUDWYFHPNIMBFC-UHFFFAOYSA-N,Positive,SM837002,[M+H]+,HCD35,189.0546:53.0024:149.0231,CASMI_2016,,,,,
100.004.564,205-018-4,131-22-6,4-phenylazo-1-naphthylamine,4-(phenyldiazenyl)naphthalen-1-amine,Nc3ccc(N=Nc1ccccc1)c2ccccc23,Nc3ccc(N=Nc1ccccc1)c2ccccc23,"InChI=1/C16H13N3/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12/h1-11H,17H2",C16H13N3,,,,,,IICHURGZQPGTRD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.565,205-020-5,131-27-1,"3-aminonaphthalene-1,5-disulphonic acid","3-aminonaphthalene-1,5-disulfonic acid",Nc1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17115,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.565,MTJGVAJYTOXFJH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.569,205-024-7,131-49-7,Meglumine diatrizoate,"3,5-diacetamido-2,4,6-triiodobenzoic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1)",CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3",C11H9I3N2O4.C7H17NO5,,,,,,MIKKOBKEXMRYFQ-WZTVWXICSA-N,,,,,,,,,,,
100.004.570,205-025-2,131-52-2,Sodium pentachlorophenolate,sodium pentachlorophenolate,[Na+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,[Na+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1,C6HCl5O.Na,,,,,,HCJLVWUMMKIQIM-UHFFFAOYSA-M,,,,,,,,,,,
100.004.574,205-029-4,131-56-6,"2,4-dihydroxybenzophenone","(2,4-dihydroxyphenyl)(phenyl)methanone",Oc1ccc(C(=O)c2ccccc2)c(O)c1,Oc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H",C13H10O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12687,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.574,ZXDDPOHVAMWLBH-UHFFFAOYSA-N,Positive/Negative,SM833201;TUE00111|TUE00112|TUE00113,[M+H]+;[M+H]+,HCD35;NA10.0V|NA20.0V|NA40.0V,137.0234:215.0705:105.0336;215.0706:137.0233:105.0335|137.0233:105.0335:77.0383|81.0336:77.0385:137.0232,CASMI_2016;Env_Anal_Chem_U_Tuebingen,SM833251;TUE00115|TUE00116|TUE00117,[M-H]-;[M-H]-,HCD35;NA10.0V|NA20.0V|NA40.0V,213.0556:135.0086:169.0659;213.0558:135.0086:169.0657|135.0088:91.019:213.0558|91.019:41.0026:65.0032,CASMI_2016;Env_Anal_Chem_U_Tuebingen
100.002.935,203-228-0,104-69-8,"N,N'-diphenylpropane-1,3-diamine","N,N'-diphenylpropane-1,3-diamine",C(CNc1ccccc1)CNc2ccccc2,C(CNc1ccccc1)CNc2ccccc2,"InChI=1/C15H18N2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2",C15H18N2,,,,,,JQMRSZJEVQNIPB-UHFFFAOYSA-N,,,,,,,,,,,
100.002.937,203-230-1,104-72-3,Decylbenzene,decylbenzene,CCCCCCCCCCc1ccccc1,CCCCCCCCCCc1ccccc1,"InChI=1/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3",C16H26,,,,,,UZILCZKGXMQEQR-UHFFFAOYSA-N,,,,,,,,,,,
100.002.941,203-234-3,104-76-7,2-ethylhexan-1-ol,2-ethylhexan-1-ol,CCCCC(CC)CO,CCCCC(CC)CO,"InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",C8H18O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15194,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.941,YIWUKEYIRIRTPP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.942,203-235-9,104-77-8,3-chloropropyl(diethyl)amine,"3-chloro-N,N-diethylpropan-1-amine",CCN(CC)CCCCl,CCN(CC)CCCCl,"InChI=1/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3",C7H16ClN,,,,,,WVUULNDRFBHTFG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.944,203-238-5,104-79-0,Diethyl(2-methylaminoethyl)amine,"N,N-diethyl-N'-methylethane-1,2-diamine",CCN(CC)CCNC,CCN(CC)CCNC,"InChI=1/C7H18N2/c1-4-9(5-2)7-6-8-3/h8H,4-7H2,1-3H3",C7H18N2,,,,,,MKDYQLJYEBWUIG-UHFFFAOYSA-N,,,,,,,,,,,
100.002.949,203-243-2,104-84-7,4-methylbenzylamine,1-(4-methylphenyl)methanamine,Cc1ccc(CN)cc1,Cc1ccc(CN)cc1,"InChI=1/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3",C8H11N,,,,,,HMTSWYPNXFHGEP-UHFFFAOYSA-N,,,,,,,,,,,
100.002.951,203-245-3,104-86-9,4-chlorobenzylamine,1-(4-chlorophenyl)methanamine,NCc1ccc(Cl)cc1,NCc1ccc(Cl)cc1,"InChI=1/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2",C7H8ClN,,,,,,YMVFJGSXZNNUDW-UHFFFAOYSA-N,,,,,,,,,,,
100.002.965,203-261-0,105-01-1,Isobutyl furan-2-propionate,isobutyl 3-(2-furyl)propanoate,CC(C)COC(=O)CCc1occc1,CC(C)COC(=O)CCc1occc1,"InChI=1/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3",C11H16O3,,,,,,SVDPTFHRRNUNRS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.975,203-272-0,105-12-4,"1,4-dinitrosobenzene","1,4-dinitrosobenzene",O=Nc1ccc(cc1)N=O,O=Nc1ccc(cc1)N=O,InChI=1/C6H4N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4H,C6H4N2O2,,,,,,MKZXROSCOHNKDX-UHFFFAOYSA-N,,,,,,,,,,,
100.002.988,203-286-7,105-31-7,Hex-1-yn-3-ol,hex-1-yn-3-ol,CCCC(O)C#C,CCCC(O)C#C,"InChI=1/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3",C6H10O,,,,,,LTFTWJYRQNTCHI-UHFFFAOYSA-N,,,,,,,,,,,
100.002.993,203-291-4,105-37-3,Ethyl propionate,ethyl propionate,CCOC(=O)CC,CCOC(=O)CC,"InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3",C5H10O2,,,,,,FKRCODPIKNYEAC-UHFFFAOYSA-N,,,,,,,,,,,
100.002.994,203-293-5,105-38-4,Vinyl propionate,vinyl propionate,CCC(=O)OC=C,CCC(=O)OC=C,"InChI=1/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3",C5H8O2,,,,,,UIWXSTHGICQLQT-UHFFFAOYSA-N,,,,,,,,,,,
100.002.996,203-295-6,105-40-8,Ethyl methylcarbamate,ethyl methylcarbamate,CCOC(=O)NC,CCOC(=O)NC,"InChI=1/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)",C4H9NO2,,,,,,SURZCVYFPAXNGN-UHFFFAOYSA-N,,,,,,,,,,,
100.002.997,203-296-1,105-41-9,"1,3-dimethylpentylamine",4-methylhexan-2-amine,CCC(C)CC(C)N,CCC(C)CC(C)N,"InChI=1/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3",C7H17N,,,,,,YAHRDLICUYEDAU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.003,203-302-2,105-50-0,Diethyl 3-oxoglutarate,diethyl 3-oxopentanedioate,CCOC(=O)CC(=O)CC(=O)OCC,CCOC(=O)CC(=O)CC(=O)OCC,"InChI=1/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3",C9H14O5,,,,,,ZSANYRMTSBBUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.005,203-304-3,105-52-2,"Bis(1,3-dimethylbutyl) maleate","bis(1,3-dimethylbutyl) but-2-enedioate",CC(C)CC(C)OC(=O)\\C=C/C(=O)OC(C)CC(C)C,CC(C)CC(C)OC(=O)\C=C/C(=O)OC(C)CC(C)C,"InChI=1/C16H28O4/c1-11(2)9-13(5)19-15(17)7-8-16(18)20-14(6)10-12(3)4/h7-8,11-14H,9-10H2,1-6H3",C16H28O4,,,,,,NZQQFMVULBBDSP-FPLPWBNLSA-N,,,,,,,,,,,
100.003.007,203-306-4,105-54-4,Ethyl butyrate,ethyl butyrate,CCCC(=O)OCC,CCCC(=O)OCC,"InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3",C6H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17594,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.007,OBNCKNCVKJNDBV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.014,203-314-8,105-61-3,N-carbamoylmaleamic acid,4-(carbamoylamino)-4-oxobut-2-enoic acid,NC(=O)NC(=O)\\C=C/C(=O)O,NC(=O)NC(=O)\C=C/C(=O)O,"InChI=1/C5H6N2O4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H,(H,9,10)(H3,6,7,8,11)",C5H6N2O4,,,,,,GWGLGTKSTGSWGQ-UPHRSURJSA-N,,,,,,,,,,,
100.003.019,203-320-0,105-66-8,Propyl butyrate,propyl butyrate,CCCOC(=O)CCC,CCCOC(=O)CCC,"InChI=1/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",C7H14O2,,,,,,HUAZGNHGCJGYNP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.025,203-326-3,105-74-8,Dilauroyl peroxide,diundecylperoxyanhydride,CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,"InChI=1/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C24H46O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2224,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.025,YIVJZNGAASQVEM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.027,203-328-4,105-76-0,Dibutyl maleate,dibutyl but-2-enedioate,CCCCOC(=O)\\C=C/C(=O)OCCCC,CCCCOC(=O)\C=C/C(=O)OCCCC,"InChI=1/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3",C12H20O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13495,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.027,JBSLOWBPDRZSMB-FPLPWBNLSA-N,,,,,,,,,,,
100.004.530,204-981-8,130-22-3,"Sodium 9,10-dihydro-3,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate monohydrate","sodium 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate",O.[Na+].Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],O.[Na+].Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H8O7S.Na.H2O/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;;/h1-5,17-18H,(H,19,20,21);;1H2/q;+1;/p-1",C14H8O7S.Na,,,,,,RXCPGWSCILFWCH-UHFFFAOYSA-M,,,,,,,,,,,
100.004.531,204-982-3,130-23-4,"4-amino-5-hydroxynaphthalene-1,7-disulphonic acid","4-amino-5-hydroxynaphthalene-1,7-disulfonic acid",Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO7S2/c11-7-1-2-9(20(16,17)18)6-3-5(19(13,14)15)4-8(12)10(6)7/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)",C10H9NO7S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17345,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.531,ZUQOBHTUMCEQBG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.545,204-998-0,130-85-8,"3,3'-dihydroxy-4,4'-methylenedi(2-naphthoic acid)","4,4'-methylenebis(3-hydroxy-2-naphthoic acid)",OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O,OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O,"InChI=1/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)",C23H16O6,,,,,,WLJNZVDCPSBLRP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.546,204-999-6,130-86-9,Protopine,"7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one",CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1,CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1,"InChI=1/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",C20H19NO5,,,,,,GPTFURBXHJWNHR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.553,205-006-9,131-03-3,"Methyl (16ß,17a,20a)-17-hydroxyyohimban-16-carboxylate",methyl 17-hydroxyyohimban-16-carboxylate,COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3",C21H26N2O3,,,,,,BLGXFZZNTVWLAY-DIRVCLHFSA-N,,,,,,,,,,,
100.004.557,205-011-6,131-11-3,Dimethyl phthalate,dimethyl phthalate,COC(=O)c1ccccc1C(=O)OC,COC(=O)c1ccccc1C(=O)OC,"InChI=1/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3",C10H10O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14997,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.557,NIQCNGHVCWTJSM-UHFFFAOYSA-N,Positive,EQ367301|EQ367302|EQ367303|EQ367304|EQ367305|EQ367306|EQ367307|EQ367308|EQ367309,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,163.0389:195.0654|163.0389:133.0284:77.0384|163.039:133.0285:135.0441|163.0389:135.044:133.0284|163.039:135.0441:133.0285|95.0492:77.0386:105.0448|92.0257:77.0385:95.0492|92.0257:63.023:77.0385|63.0229:51.023:64.0308,Eawag,,,,,
100.004.561,205-015-8,131-16-8,Dipropyl phthalate,dipropyl phthalate,CCCOC(=O)c1ccccc1C(=O)OCCC,CCCOC(=O)c1ccccc1C(=O)OCCC,"InChI=1/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3",C14H18O4,,,,,,MQHNKCZKNAJROC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.567,205-022-6,131-43-1,"2-[4-[2-(4-nitro-2-sulphophenyl)vinyl]-3-sulphophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonic acid","2-{4-[2-(4-nitro-2-sulfophenyl)vinyl]-3-sulfophenyl}-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonic acid",OS(=O)(=O)c1cc(ccc1\\C=C\\c2ccc(cc2S(=O)(=O)O)n3nc4cc(c5ccccc5c4n3)S(=O)(=O)O)[N+](=O)[O-],OS(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)O)n3nc4cc(c5ccccc5c4n3)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C24H16N4O11S3/c29-28(30)17-10-8-15(22(12-17)41(34,35)36)6-5-14-7-9-16(11-21(14)40(31,32)33)27-25-20-13-23(42(37,38)39)18-3-1-2-4-19(18)24(20)26-27/h1-13H,(H,31,32,33)(H,34,35,36)(H,37,38,39)",C24H16N4O11S3,,,,,,ZUALTTRSCLAGBQ-AATRIKPKSA-N,,,,,,,,,,,
100.004.571,205-026-8,131-53-3,Dioxybenzone,(2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone,COc1ccc(C(=O)c2ccccc2O)c(O)c1,COc1ccc(C(=O)c2ccccc2O)c(O)c1,"InChI=1/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3",C14H12O4,,,,,,MEZZCSHVIGVWFI-UHFFFAOYSA-N,Positive/Negative,TUE00151|TUE00152|TUE00153,[M+H]+,NA10.0V|NA20.0V|NA40.0V,121.0284:245.081:151.039|121.0284:151.0388:93.0333|65.0388:121.0284:93.0336,Env_Anal_Chem_U_Tuebingen,TUE00155|TUE00156|TUE00157,[M-H]-,NA10.0V|NA20.0V|NA40.0V,93.0345:123.045:243.0661|93.0346:123.045:108.0215|93.0346:108.0216:80.0266,Env_Anal_Chem_U_Tuebingen
100.004.580,205-036-2,131-70-4,Butyl hydrogen phthalate,2-(butoxycarbonyl)benzoic acid,CCCCOC(=O)c1ccccc1C(=O)O,CCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)",C12H14O4,,,,,,YZBOVSFWWNVKRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.583,205-039-9,131-79-3,1-[(2-methylphenyl)azo]naphthalen-2-amine,1-[(2-methylphenyl)diazenyl]naphthalen-2-amine,Cc3ccccc3N=Nc1c2ccccc2ccc1N,Cc3ccccc3N=Nc1c2ccccc2ccc1N,"InChI=1/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3",C17H15N3,,,,,,BWLVSYUUKOQICP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.589,205-046-7,132-06-9,Inosine 5'-(tetrahydrogen triphosphate),9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-ol,OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n2cnc3c(O)ncnc23,OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n2cnc3c(O)ncnc23,"InChI=1/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)",C10H15N4O14P3,,,,,,HAEJPQIATWHALX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.591,205-048-8,132-17-2,Endo-3-(diphenylmethoxy)-8-methyl-8-azoniabicyclo[3.2.1]octane methanesulphonate,3-(diphenylmethoxy)-8-methyl-8-azoniabicyclo[3.2.1]octane methanesulfonate,C[NH+]1[C@@H]2CC[C@H]1C[C@H](C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)[O-],C[NH+]1[C@@H]2CC[C@H]1C[C@H](C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)[O-],"InChI=1/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)",C21H25NO.CH4O3S,,,,,,CPFJLLXFNPCTDW-BWSPSPBFSA-N,,,,,,,,,,,
100.004.592,205-049-3,132-18-3,Diphenylpyraline hydrochloride,4-(diphenylmethoxy)-1-methylpiperidine hydrochloride,Cl.CN1CCC(CC1)OC(c2ccccc2)c3ccccc3,Cl.CN1CCC(CC1)OC(c2ccccc2)c3ccccc3,"InChI=1/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H",C19H23NO.ClH,,,,,,LPRLDRXGWKXRMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.727,213-999-5,1071-93-8,Adipohydrazide,hexanedihydrazide,NNC(=O)CCCCC(=O)NN,NNC(=O)CCCCC(=O)NN,"InChI=1/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)",C6H14N4O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13483,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.727,IBVAQQYNSHJXBV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.394,214-733-0,1191-39-5,N-dodecylmethacrylamide,N-dodecyl-2-methylacrylamide,CCCCCCCCCCCCNC(=O)C(=C)C,CCCCCCCCCCCCNC(=O)C(=C)C,"InChI=1/C16H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-17-16(18)15(2)3/h2,4-14H2,1,3H3,(H,17,18)",C16H31NO,,,,,,HOZLHJIPBBRFGM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.396,214-735-1,1191-43-1,"Hexane-1,6-dithiol","hexane-1,6-dithiol",SCCCCCCS,SCCCCCCS,"InChI=1/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2",C6H14S2,,,,,,SRZXCOWFGPICGA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.401,214-740-9,1191-79-3,Barium cadmium tetrastearate,barium cadmium tetrastearate,[Cd+2].[Ba+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Cd+2].[Ba+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/4C18H36O2.Ba.Cd/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*2-17H2,1H3,(H,19,20);;/q;;;;2*+2/p-4",C18H36O2.1/4Ba.1/4Cd,,,,,,RGWMBYHTBXZOTN-UHFFFAOYSA-J,,,,,,,,,,,
100.013.404,214-744-0,1191-91-9,"2,5,8,11,14,17,20,23-octaoxatetracosane","2,5,8,11,14,17,20,23-octaoxatetracosane",COCCOCCOCCOCCOCCOCCOCCOC,COCCOCCOCCOCCOCCOCCOCCOC,"InChI=1/C16H34O8/c1-17-3-5-19-7-9-21-11-13-23-15-16-24-14-12-22-10-8-20-6-4-18-2/h3-16H2,1-2H3",C16H34O8,,,,,,RQIOWVGTLVTEFX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.408,214-748-2,1192-18-3,"cis-1,2-dimethylcyclopentane","1,2-dimethylcyclopentane",C[C@@H]1CCC[C@@H]1C,C[C@@H]1CCC[C@@H]1C,"InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3",C7H14,,,,,,RIRARCHMRDHZAR-KNVOCYPGSA-N,,,,,,,,,,,
100.013.409,214-749-8,1192-28-5,Cyclopentanone oxime,cyclopentanone oxime,ON=C1CCCC1,ON=C1CCCC1,"InChI=1/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2",C5H9NO,,,,,,YGNXYFLJZILPEK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.410,214-750-3,1192-30-9,Tetrahydrofurfuryl bromide,2-(bromomethyl)tetrahydrofuran,BrCC1CCCO1,BrCC1CCCO1,"InChI=1/C5H9BrO/c6-4-5-2-1-3-7-5/h5H,1-4H2",C5H9BrO,,,,,,VOHILFSOWRNVJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.423,214-765-5,1193-10-8,"3-methyl-2,5-dihydrothiophene 1,1-dioxide","3-methyl-2,5-dihydrothiophene 1,1-dioxide",CC1=CCS(=O)(=O)C1,CC1=CCS(=O)(=O)C1,"InChI=1/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3",C5H8O2S,,,,,,FAYFWMOSHFCQPG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.432,214-774-4,1193-56-2,5-chloro-6-hydroxy-1H-pyrimidin-4-one,5-chloro-6-hydroxypyrimidin-4(1H)-one,OC1=C(Cl)C(=O)N=CN1,OC1=C(Cl)C(=O)N=CN1,"InChI=1/C4H3ClN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)",C4H3ClN2O2,,,,,,VZKFMOMJNOUARI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.434,214-777-0,1193-66-4,"2-methyl-1,4-diazabicyclo[2.2.2]octane","2-methyl-1,4-diazabicyclo[2.2.2]octane",CC1CN2CCN1CC2,CC1CN2CCN1CC2,"InChI=1/C7H14N2/c1-7-6-8-2-4-9(7)5-3-8/h7H,2-6H2,1H3",C7H14N2,,,,,,QXKMWFFBWDHDCB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.435,214-778-6,1193-72-2,"1-bromo-2,4-dichlorobenzene","1-bromo-2,4-dichlorobenzene",Clc1ccc(Br)c(Cl)c1,Clc1ccc(Br)c(Cl)c1,InChI=1/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H,C6H3BrCl2,,,,,,ISHYFWKKWKXXPL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.436,214-779-1,1193-79-9,1-(5-methyl-2-furyl)ethan-1-one,1-(5-methyl-2-furyl)ethanone,CC(=O)c1oc(C)cc1,CC(=O)c1oc(C)cc1,"InChI=1/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3",C7H8O2,,,,,,KEFJLCGVTHRGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.443,214-787-5,1194-65-6,Dichlobenil,"2,6-dichlorobenzonitrile",Clc1cccc(Cl)c1C#N,Clc1cccc(Cl)c1C#N,InChI=1/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,C7H3Cl2N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12680,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.443,YOYAIZYFCNQIRF-UHFFFAOYSA-N,Positive,EA008402|EA008403|EA008404|EA008405|EA008406|EA008407|EA008408|EA008409|EA008410|EA008411|EA008412,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75,171.9713|171.9714|171.9714|171.9711:164.0017|164.0011:171.9709|164.0009:100.0181|171.9715|171.9714|171.9715:164.0008|171.9714:164.0011|164.0009:171.9717:100.0184,Eawag,,,,,
100.010.120,211-130-4,630-16-0,"1,1,1,2-tetrabromoethane","1,1,1,2-tetrabromoethane",BrCC(Br)(Br)Br,BrCC(Br)(Br)Br,"InChI=1/C2H2Br4/c3-1-2(4,5)6/h1H2",C2H2Br4,,,,,,RVHSTXJKKZWWDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.122,211-133-0,630-18-2,Pivalonitrile,pivalonitrile,CC(C)(C)C#N,CC(C)(C)C#N,"InChI=1/C5H9N/c1-5(2,3)4-6/h1-3H3",C5H9N,,,,,,JAMNHZBIQDNHMM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.130,211-141-4,630-67-1,Prednisolone 21-(3-sodium-sulphobenzoate),"sodium 3-{[(11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonate",CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O[Na],CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O[Na],"InChI=1/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/rC28H31NaO9S/c1-26-10-8-18(30)13-17(26)6-7-20-21-9-11-28(34,27(21,2)14-22(31)24(20)26)23(32)15-37-25(33)16-4-3-5-19(12-16)39(35,36)38-29/h3-5,8,10,12-13,20-22,24,31,34H,6-7,9,11,14-15H2,1-2H3",C28H32O9S.Na,,,,,,RWFZSORKWFPGNE-UHFFFAOYSA-M,,,,,,,,,,,
100.004.576,205-032-0,131-58-8,2-methylbenzophenone,(2-methylphenyl)(phenyl)methanone,Cc1ccccc1C(=O)c2ccccc2,Cc1ccccc1C(=O)c2ccccc2,"InChI=1/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3",C14H12O,,,,,,CKGKXGQVRVAKEA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.579,205-035-7,131-69-1,N-(4-(acetylsulphamoyl)phenyl)phthalamic acid,2-{[4-(acetylsulfamoyl)phenyl]carbamoyl}benzoic acid,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,"InChI=1/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22)",C16H14N2O6S,,,,,,SNWQKAWITMVCQW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.582,205-038-3,131-74-8,Ammonium picrate,"ammonium 2,4,6-trinitrophenolate",[NH4+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[NH4+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O7.H3N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;1H3",C6H3N3O7.H3N,,,,,,PADMMUFPGNGRGI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.586,205-043-0,131-91-9,1-nitroso-2-naphthol,1-nitroso-2-naphthol,Oc1ccc2ccccc2c1N=O,Oc1ccc2ccccc2c1N=O,"InChI=1/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H",C10H7NO2,,,,,,YXAOOTNFFAQIPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.593,205-050-9,132-19-4,"Di(ethyl)[1-methyl-3,3-di(thien-2-yl)allyl]ammonium chloride","N,N-diethyl-4,4-di-2-thienylbut-3-en-2-aminium chloride",[Cl-].CC[NH+](CC)C(C)C=C(c1cccs1)c2cccs2,[Cl-].CC[NH+](CC)C(C)C=C(c1cccs1)c2cccs2,"InChI=1/C16H21NS2.ClH/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16;/h6-13H,4-5H2,1-3H3;1H",C16H21NS2.ClH,,,,,,AOBYZQVXPIBGCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.596,205-054-0,132-22-9,Chlorphenamine,"3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine",CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2,CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2,"InChI=1/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",C16H19ClN2,,,,,,SOYKEARSMXGVTM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.599,205-057-7,132-32-1,9-ethylcarbazol-3-ylamine,9-ethyl-9H-carbazol-3-amine,CCn1c2ccccc2c3cc(N)ccc13,CCn1c2ccccc2c3cc(N)ccc13,"InChI=1/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3",C14H14N2,,,,,,OXEUETBFKVCRNP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.606,205-065-0,132-54-7,Phenyl 1-hydroxy-2-naphthoate,phenyl 1-hydroxy-2-naphthoate,Oc1c(ccc2ccccc12)C(=O)Oc3ccccc3,Oc1c(ccc2ccccc12)C(=O)Oc3ccccc3,"InChI=1/C17H12O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-11,18H",C17H12O3,,,,,,QHDYIMWKSCJTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.611,205-070-8,132-63-8,Methyl 7-hydroxy-1-naphthylcarbamate,methyl (7-hydroxy-1-naphthyl)carbamate,COC(=O)Nc1cccc2ccc(O)cc12,COC(=O)Nc1cccc2ccc(O)cc12,"InChI=1/C12H11NO3/c1-16-12(15)13-11-4-2-3-8-5-6-9(14)7-10(8)11/h2-7,14H,1H3,(H,13,15)",C12H11NO3,,,,,,DZNFLGGCJZUMEM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.612,205-071-3,132-64-9,Dibenzofuran,"dibenzo[b,d]furan",o1c2ccccc2c3ccccc13,o1c2ccccc2c3ccccc13,InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,C12H8O,,,,,,TXCDCPKCNAJMEE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.614,205-073-4,132-67-2,Naptalam-sodium,sodium 2-(1-naphthylcarbamoyl)benzoate,[Na+].[O-]C(=O)c1ccccc1C(=O)Nc2cccc3ccccc23,[Na+].[O-]C(=O)c1ccccc1C(=O)Nc2cccc3ccccc23,"InChI=1/C18H13NO3.Na/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16;/h1-11H,(H,19,20)(H,21,22);/q;+1/p-1",C18H13NO3.Na,,,,,,CLHHSSXFXYAXDB-UHFFFAOYSA-M,,,,,,,,,,,
100.004.615,205-075-5,132-68-3,3-hydroxy-N-1-naphthyl-2-naphthamide,3-hydroxy-N-1-naphthyl-2-naphthamide,Oc1cc2ccccc2cc1C(=O)Nc3cccc4ccccc34,Oc1cc2ccccc2cc1C(=O)Nc3cccc4ccccc34,"InChI=1/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24)",C21H15NO2,,,,,,QGZGJNPVHADCFM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.617,205-077-6,132-73-0,Chloroquine sulphate,"N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine sulfate",CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.OS(=O)(=O)O,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.OS(=O)(=O)O,"InChI=1/C18H26ClN3.H2O4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H2,1,2,3,4)",C18H26ClN3.H2O4S,,,,,,OJPWHUOVKVKBQB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.619,205-079-7,132-86-5,"Naphthalene-1,3-diol","naphthalene-1,3-diol",Oc1cc(O)c2ccccc2c1,Oc1cc(O)c2ccccc2c1,"InChI=1/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H",C10H8O2,,,,,,XOOMNEFVDUTJPP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.621,205-081-8,132-88-7,4-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulphonic acid,4-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid,Oc1cc(cc2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc12)S(=O)(=O)O,Oc1cc(cc2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc12)S(=O)(=O)O,"InChI=1/C17H12N2O7S/c20-16-9-14(27(24,25)26)8-11-7-12(3-6-15(11)16)18-17(21)10-1-4-13(5-2-10)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)",C17H12N2O7S,,,,,,YKEZWGMBLVPRBW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.029,203-331-0,105-78-2,"N,N'-dimethyl-N,N'-bis(2-methylaminoethyl)ethylenediamine","N,N'-dimethyl-N,N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine",CNCCN(C)CCN(C)CCNC,CNCCN(C)CCN(C)CCNC,"InChI=1/C10H26N4/c1-11-5-7-13(3)9-10-14(4)8-6-12-2/h11-12H,5-10H2,1-4H3",C10H26N4,,,,,,GJITZQJJXMCHBD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.053,203-357-2,106-06-9,Ethylenebis(oxyethylene) dinonanoate,"ethane-1,2-diylbis(oxyethane-2,1-diyl) dinonanoate",CCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCC,CCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCC,"InChI=1/C24H46O6/c1-3-5-7-9-11-13-15-23(25)29-21-19-27-17-18-28-20-22-30-24(26)16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C24H46O6,,,,,,UBQXQCCAPASFJR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.057,203-361-4,106-10-5,"2,2'-ethylenedioxydiethyl dioctanoate","ethane-1,2-diylbis(oxyethane-2,1-diyl) dioctanoate",CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC,CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC,"InChI=1/C22H42O6/c1-3-5-7-9-11-13-21(23)27-19-17-25-15-16-26-18-20-28-22(24)14-12-10-8-6-4-2/h3-20H2,1-2H3",C22H42O6,,,,,,YJGHMLJGPSVSLF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.076,203-382-9,106-30-9,Ethyl enantate,ethyl heptanoate,CCCCCCC(=O)OCC,CCCCCCC(=O)OCC,"InChI=1/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3",C9H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16702,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.076,TVQGDYNRXLTQAP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.082,203-389-7,106-36-5,Propyl propionate,propyl propionate,CCCOC(=O)CC,CCCOC(=O)CC,"InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3",C6H12O2,,,,,,MCSINKKTEDDPNK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.084,203-391-8,106-38-7,4-bromotoluene,1-bromo-4-methylbenzene,Cc1ccc(Br)cc1,Cc1ccc(Br)cc1,"InChI=1/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",C7H7Br,,,,,,ZBTMRBYMKUEVEU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.086,203-393-9,106-40-1,4-bromoaniline,4-bromoaniline,Nc1ccc(Br)cc1,Nc1ccc(Br)cc1,"InChI=1/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",C6H6BrN,,,,,,WDFQBORIUYODSI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.089,203-397-0,106-43-4,4-chlorotoluene,1-chloro-4-methylbenzene,Cc1ccc(Cl)cc1,Cc1ccc(Cl)cc1,"InChI=1/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",C7H7Cl,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1883,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.089,NPDACUSDTOMAMK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.091,203-399-1,106-45-6,Toluene-4-thiol,4-methylbenzenethiol,Cc1ccc(S)cc1,Cc1ccc(S)cc1,"InChI=1/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",C7H8S,,,,,,WLHCBQAPPJAULW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.097,203-405-2,106-51-4,p-benzoquinone,"1,4-benzoquinone",O=C1C=CC(=O)C=C1,O=C1C=CC(=O)C=C1,InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H,C6H4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13828,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.097,AZQWKYJCGOJGHM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.102,203-411-5,106-57-0,"Piperazine-2,5-dione","piperazine-2,5-dione",O=C1CNC(=O)CN1,O=C1CNC(=O)CN1,"InChI=1/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)",C4H6N2O2,,,,,,BXRNXXXXHLBUKK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.103,203-412-0,106-58-1,"1,4-dimethylpiperazine","1,4-dimethylpiperazine",CN1CCN(C)CC1,CN1CCN(C)CC1,"InChI=1/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3",C6H14N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10370,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.103,RXYPXQSKLGGKOL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.113,203-423-0,106-68-3,Octan-3-one,octan-3-one,CCCCCC(=O)CC,CCCCCC(=O)CC,"InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3",C8H16O,,,,,,RHLVCLIPMVJYKS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.105,204-514-8,122-00-9,4'-methylacetophenone,1-(4-methylphenyl)ethanone,CC(=O)c1ccc(C)cc1,CC(=O)c1ccc(C)cc1,"InChI=1/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3",C9H10O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5262,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.105,GNKZMNRKLCTJAY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.108,204-517-4,122-04-3,4-nitrobenzoyl chloride,4-nitrobenzoyl chloride,[O-][N+](=O)c1ccc(cc1)C(=O)Cl,[O-][N+](=O)c1ccc(cc1)C(=O)Cl,InChI=1/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,C7H4ClNO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16497,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.108,SKDHHIUENRGTHK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.110,204-520-0,122-07-6,"2,2-dimethoxyethylmethylamine","2,2-dimethoxy-N-methylethanamine",CNCC(OC)OC,CNCC(OC)OC,"InChI=1/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3",C5H13NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10840,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.110,HUMIEJNVCICTPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.112,204-522-1,122-09-8,Phentermine,2-methyl-1-phenylpropan-2-amine,CC(C)(N)Cc1ccccc1,CC(C)(N)Cc1ccccc1,"InChI=1/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3",C10H15N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11363,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.112,DHHVAGZRUROJKS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.116,204-526-3,122-18-9,Cetalkonium chloride,"N-benzyl-N,N-dimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1",C25H46N.Cl,,,,,,SXPWTBGAZSPLHA-UHFFFAOYSA-M,,,,,,,,,,,
100.004.118,204-528-4,122-20-3,"1,1',1''-nitrilotripropan-2-ol","1,1',1''-nitrilotripropan-2-ol",CC(O)CN(CC(C)O)CC(C)O,CC(O)CN(CC(C)O)CC(C)O,"InChI=1/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3",C9H21NO3,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14594,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.118,SLINHMUFWFWBMU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.594,205-051-4,132-20-7,Pheniramine hydrogen maleate,"N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine but-2-enedioate",OC(=O)C=CC(O)=O.CN(C)CCC(c1ccccn1)c2ccccc2,OC(=O)C=CC(O)=O.CN(C)CCC(c1ccccn1)c2ccccc2,"InChI=1/C16H20N2.C4H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;5-3(6)1-2-4(7)8/h3-10,12,15H,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C16H20N2.C4H4O4,,,,,,SSOXZAQUVINQSA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.600,205-058-2,132-33-2,"4-[(2-arsonophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonic acid","4-[(2-arsonophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid",O[As](O)(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S(O)(=O)=O)S(O)(=O)=O,O[As](O)(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C16H13AsN2O10S2/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29)",C16H13AsN2O10S2,,,,,,XQVKLMRIZCRVPO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.605,205-064-5,132-53-6,2-nitroso-1-naphthol,2-nitroso-1-naphthol,Oc1c(ccc2ccccc12)N=O,Oc1c(ccc2ccccc12)N=O,"InChI=1/C10H7NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-6,12H",C10H7NO2,,,,,,SYUYTOYKQOAVDW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.609,205-068-7,132-61-6,N-(4-chlorophenyl)-2-hydroxy-9H-carbazole-3-carboxamide,N-(4-chlorophenyl)-2-hydroxy-9H-carbazole-3-carboxamide,Oc1cc2[nH]c3ccccc3c2cc1C(=O)Nc4ccc(Cl)cc4,Oc1cc2[nH]c3ccccc3c2cc1C(=O)Nc4ccc(Cl)cc4,"InChI=1/C19H13ClN2O2/c20-11-5-7-12(8-6-11)21-19(24)15-9-14-13-3-1-2-4-16(13)22-17(14)10-18(15)23/h1-10,22-23H,(H,21,24)",C19H13ClN2O2,,,,,,PPLNRTPNYCWODC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.616,205-076-0,132-69-4,"3-[[1-benzyl-1H-indazol-3-yl]oxy]-N,N-dimethylpropylamine monohydrochloride","3-[(1-benzyl-1H-indazol-3-yl)oxy]-N,N-dimethylpropan-1-amine hydrochloride",Cl.CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13,Cl.CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13,"InChI=1/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H",C19H23N3O.ClH,,,,,,HNNIWKQLJSNAEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.620,205-080-2,132-87-6,7-benzamido-4-hydroxynaphthalene-2-sulphonic acid,7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid,Oc1cc(cc2cc(NC(=O)c3ccccc3)ccc12)S(=O)(=O)O,Oc1cc(cc2cc(NC(=O)c3ccccc3)ccc12)S(=O)(=O)O,"InChI=1/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)",C17H13NO5S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17473,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.620,ZLHGMJOGMLVDFS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.626,205-087-0,133-06-2,Captan,"2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,"InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2",C9H8Cl3NO2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12775,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.626,LDVVMCZRFWMZSG-UHFFFAOYSA-N,Positive,EQ303901|EQ303902|EQ303903|EQ303904|EQ303905|EQ303906,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,263.9648:235.9699:79.0542|79.0542:235.9698:106.0651|79.0542:106.0652:179.9436|79.0542:155.9071:106.0651|79.0542:155.9072:66.9404|79.0542:66.9404:95.0491,Eawag,,,,,
100.004.628,205-089-1,133-08-4,Diethyl butylmalonate,diethyl butylmalonate,CCCCC(C(=O)OCC)C(=O)OCC,CCCCC(C(=O)OCC)C(=O)OCC,"InChI=1/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3",C11H20O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18711,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.628,RPNFNBGRHCUORR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.629,205-090-7,133-09-5,Potassium 4-aminosalicylate,potassium 4-amino-2-hydroxybenzoate,[K+].Nc1ccc(C(=O)[O-])c(O)c1,[K+].Nc1ccc(C(=O)[O-])c(O)c1,"InChI=1/C7H7NO3.K/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1",C7H7NO3.K,,,,,,PRZJIMSXCLZGLT-UHFFFAOYSA-M,,,,,,,,,,,
100.004.633,205-094-9,133-14-2,"Bis(2,4-dichlorobenzoyl) peroxide","bis(2,4-dichlorophenyl)peroxyanhydride",Clc1ccc(C(=O)OOC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1,Clc1ccc(C(=O)OOC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1,InChI=1/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H,C14H6Cl4O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13277,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.633,WRXCBRHBHGNNQA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.634,205-095-4,133-15-3,Calcium bis(4-aminosalicylate),calcium bis(4-amino-2-hydroxybenzoate),[Ca+2].Nc1ccc(C(=O)[O-])c(O)c1.Nc2ccc(C(=O)[O-])c(O)c2,[Ca+2].Nc1ccc(C(=O)[O-])c(O)c1.Nc2ccc(C(=O)[O-])c(O)c2,"InChI=1/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2",C7H7NO3.1/2Ca,,,,,,XDWVNCOPMIEDJK-UHFFFAOYSA-L,,,,,,,,,,,
100.004.638,205-101-5,133-32-4,4-(indol-3-yl)butyric acid,4-(1H-indol-3-yl)butanoic acid,OC(=O)CCCc1c[nH]c2ccccc12,OC(=O)CCCc1c[nH]c2ccccc12,"InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)",C12H13NO2,,,,,,JTEDVYBZBROSJT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.661,205-126-1,134-03-2,Sodium ascorbate,"sodium 2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate (non-preferred name)",[Na+].[O-]\\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO,[Na+].[O-]\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO,"InChI=1/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1",C6H8O6.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12355,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.661,PPASLZSBLFJQEF-RXSVEWSESA-M,,,,,,,,,,,
100.004.664,205-129-8,134-09-8,Menthyl anthranilate,2-isopropyl-5-methylcyclohexyl 2-aminobenzoate,O=C(OC1CC(C)CCC1C(C)C)c2ccccc2N,O=C(OC1CC(C)CCC1C(C)C)c2ccccc2N,"InChI=1/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3",C17H25NO2,,,,,,SOXAGEOHPCXXIO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.133,211-145-6,630-81-9,Morphine hydrobromide,"17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrobromide",Br.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,Br.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,"InChI=1/C17H19NO3.BrH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H",C17H19NO3.BrH,,,,,,OUOYRIJSFITIHQ-VYKNHSEDSA-N,,,,,,,,,,,
100.010.141,211-154-5,631-31-2,2-ethyl-2-methylsuccinic acid,2-ethyl-2-methylsuccinic acid,CCC(C)(CC(=O)O)C(=O)O,CCC(C)(CC(=O)O)C(=O)O,"InChI=1/C7H12O4/c1-3-7(2,6(10)11)4-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,FDYJJKHDNNVUDR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.154,211-168-1,632-05-3,"1,2,3-tribromobutane","1,2,3-tribromobutane",CC(Br)C(Br)CBr,CC(Br)C(Br)CBr,"InChI=1/C4H7Br3/c1-3(6)4(7)2-5/h3-4H,2H2,1H3",C4H7Br3,,,,,,HKTNRDJXZCCMGH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.159,211-173-9,632-22-4,Tetramethylurea,"1,1,3,3-tetramethylurea",CN(C)C(=O)N(C)C,CN(C)C(=O)N(C)C,InChI=1/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3,C5H12N2O,,,,,,AVQQQNCBBIEMEU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.164,211-179-1,632-51-9,Tetraphenylethylene,"1,1',1'',1'''-ethene-1,1,2,2-tetrayltetrabenzene",c1ccc(cc1)C(=C(c2ccccc2)c3ccccc3)c4ccccc4,c1ccc(cc1)C(=C(c2ccccc2)c3ccccc3)c4ccccc4,InChI=1/C26H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,C26H20,,,,,,JLZUZNKTTIRERF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.779,212-956-8,886-86-2,3-ethoxycarbonylanilinium methanesulphonate,3-(ethoxycarbonyl)anilinium methanesulfonate,CCOC(=O)c1cccc([NH3+])c1.CS(=O)(=O)[O-],CCOC(=O)c1cccc([NH3+])c1.CS(=O)(=O)[O-],"InChI=1/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)",C9H11NO2.CH4O3S,,,,,,FQZJYWMRQDKBQN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.799,212-978-8,897-15-4,Dosulepin hydrochloride,"3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride",Cl.CN(C)CCC=C1c3ccccc3SCc2ccccc12,Cl.CN(C)CCC=C1c3ccccc3SCc2ccccc12,"InChI=1/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H",C19H21NS.ClH,,,,,,XUPZAARQDNSRJB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.808,212-988-2,902-04-5,2'-deoxy-5'-guanylic acid,"2-amino-9-(2-deoxy-5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-one",NC1=Nc2c(ncn2C3CC(O)C(COP(=O)(O)O)O3)C(=O)N1,NC1=Nc2c(ncn2C3CC(O)C(COP(=O)(O)O)O3)C(=O)N1,"InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)",C10H14N5O7P,,,,,,LTFMZDNNPPEQNG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.812,212-992-4,904-04-1,Captodiame hydrochloride,"2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)-N,N-dimethylethanamine hydrochloride",Cl.CCCCSc1ccc(cc1)C(SCCN(C)C)c2ccccc2,Cl.CCCCSc1ccc(cc1)C(SCCN(C)C)c2ccccc2,"InChI=1/C21H29NS2.ClH/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18;/h6-14,21H,4-5,15-17H2,1-3H3;1H",C21H29NS2.ClH,,,,,,IQCZDPRPOLRNQX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.815,212-996-6,905-96-4,3-ethyl-2-[3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]benzoxazolium iodide,"3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4ccccc4oc3C=CC=C2Oc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4oc3C=CC=C2Oc1ccccc1N2CC,"InChI=1/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C21H21N2O2.I,,,,,,FIZZUEJIOKEFFZ-UHFFFAOYSA-M,,,,,,,,,,,
100.011.816,212-997-1,906-33-2,"[1R-(1a,3a,4a,5ß)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid","3-{[3-(3,4-dihydroxyphenyl)acryloyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid",OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O,OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O,"InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",C16H18O9,,,,,,CWVRJTMFETXNAD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.823,213-004-4,910-31-6,3-ß-chlorocholest-5-ene,3-chlorocholest-5-ene,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3",C27H45Cl,,,,,,OTVRYZXVVMZHHW-DPAQBDIFSA-N,,,,,,,,,,,
100.012.737,214-009-4,1072-52-2,2-(azidin-1-yl)ethanol,2-aziridin-1-ylethanol,OCCN1CC1,OCCN1CC1,"InChI=1/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2",C4H9NO,,,,,,VYONOYYDEFODAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.752,214-026-7,1073-26-3,1-(1H-pyrrol-2-yl)propan-1-one,1-(1H-pyrrol-2-yl)propan-1-one,CCC(=O)c1ccc[nH]1,CCC(=O)c1ccc[nH]1,"InChI=1/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3",C7H9NO,,,,,,AEJPPSRYXGEVDT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.755,214-029-3,1073-69-4,(4-chlorophenyl)hydrazine,(4-chlorophenyl)hydrazine,NNc1ccc(Cl)cc1,NNc1ccc(Cl)cc1,"InChI=1/C6H7ClN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2",C6H7ClN2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1279,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.755,XXNOGQJZAOXWAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.758,214-033-5,1073-75-2,"2-(1,3,2-dioxaphospholan-2-yloxy)ethanol","2-(1,3,2-dioxaphospholan-2-yloxy)ethanol",OCCOP1OCCO1,OCCOP1OCCO1,"InChI=1/C4H9O4P/c5-1-2-6-9-7-3-4-8-9/h5H,1-4H2",C4H9O4P,,,,,,MFWMOQNHOILVPR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.627,205-088-6,133-07-3,N-(trichloromethylthio)phthalimide,"2-[(trichloromethyl)sulfanyl]-1H-isoindole-1,3(2H)-dione",ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,"InChI=1/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H",C9H4Cl3NO2S,,,,,,HKIOYBQGHSTUDB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.636,205-098-0,133-18-6,Phenethyl anthranilate,2-phenylethyl 2-aminobenzoate,Nc1ccccc1C(=O)OCCc2ccccc2,Nc1ccccc1C(=O)OCCc2ccccc2,"InChI=1/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2",C15H15NO2,,,,,,PXWNBAGCFUDYBE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.641,205-104-1,133-36-8,Piperazine tartrate,"piperazine 2,3-dihydroxysuccinate (salt)",OC(C(O)C(=O)O)C(=O)O.C1CNCCN1,OC(C(O)C(=O)O)C(=O)O.C1CNCCN1,"InChI=1/C4H10N2.C4H6O6/c1-2-6-4-3-5-1;5-1(3(7)8)2(6)4(9)10/h5-6H,1-4H2;1-2,5-6H,(H,7,8)(H,9,10)",C4H10N2.C4H6O6,,,,,,VNFVKWMKVDOSKT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.642,205-105-7,133-37-9,(±)-tartaric acid,tartaric acid,OC(C(O)C(=O)O)C(=O)O,OC(C(O)C(=O)O)C(=O)O,"InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",C4H6O6,,,,,,FEWJPZIEWOKRBE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.646,205-109-9,133-53-9,"2,4-dichloro-3,5-xylenol","2,4-dichloro-3,5-dimethylphenol",Cc1cc(O)c(Cl)c(C)c1Cl,Cc1cc(O)c(Cl)c(C)c1Cl,"InChI=1/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3",C8H8Cl2O,,,,,,IYOLBFFHPZOQGW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.648,205-112-5,133-58-4,6-methyl-3-nitrobenzoxamercurete,[2-(hydroxy-kappaO)-3-methyl-6-nitrophenyl-kappaC~1~]mercury,Cc1ccc(c2[Hg]Oc12)[N+](=O)[O-],Cc1ccc(c2[Hg]Oc12)[N+](=O)[O-],"InChI=1/C7H6NO3.Hg/c1-5-2-3-6(8(10)11)4-7(5)9;/h2-3,9H,1H3;/q;+1/p-1/rC7H5HgNO3/c1-4-2-3-5(9(10)11)6-7(4)12-8-6/h2-3H,1H3",C7H5HgNO3,,,,,,UEHLXXJAWYWUGI-UHFFFAOYSA-M,,,,,,,,,,,
100.004.651,205-115-1,133-63-1,"2,2'-methylenebis[6-tert-butylphenol]","2,2'-methylenebis(6-tert-butylphenol)",CC(C)(C)c1cccc(Cc2cccc(c2O)C(C)(C)C)c1O,CC(C)(C)c1cccc(Cc2cccc(c2O)C(C)(C)C)c1O,"InChI=1/C21H28O2/c1-20(2,3)16-11-7-9-14(18(16)22)13-15-10-8-12-17(19(15)23)21(4,5)6/h7-12,22-23H,13H2,1-6H3",C21H28O2,,,,,,PHAZIZJZLYBIIT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.652,205-116-7,133-65-3,Solasulfone,"tetrasodium 1,1'-[sulfonylbis(4,1-phenyleneimino)]bis(3-phenylpropane-1,3-disulfonate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C(CC(c1ccccc1)S(=O)(=O)[O-])Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(CC(c4ccccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])cc3,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C(CC(c1ccccc1)S(=O)(=O)[O-])Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(CC(c4ccccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])cc3,"InChI=1/C30H32N2O14S5.4Na/c33-47(34,25-15-11-23(12-16-25)31-29(50(41,42)43)19-27(48(35,36)37)21-7-3-1-4-8-21)26-17-13-24(14-18-26)32-30(51(44,45)46)20-28(49(38,39)40)22-9-5-2-6-10-22;;;;/h1-18,27-32H,19-20H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4",C30H32N2O14S5.4Na,,,,,,WAGUNVVOQBKLDL-UHFFFAOYSA-J,,,,,,,,,,,
100.004.657,205-121-4,133-89-1,"Uridine 5'-(trihydrogen diphosphate), mono-a-d-glucopyranosyl ester","(3,4-dihydroxytetrahydrofuran-2-yl)methyl (3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen diphosphate (non-preferred name)",OC1COC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C(O)C2O)C1O,OC1COC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C(O)C2O)C1O,"InChI=1/C11H22O15P2/c12-4-1-22-5(7(4)13)2-23-27(18,19)26-28(20,21)24-3-6-8(14)9(15)10(16)11(17)25-6/h4-17H,1-3H2,(H,18,19)(H,20,21)",C15H24N2O17P2,,,,,,VEQZSYWIHMZZQK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.659,205-124-0,133-91-5,"3,5-diiodosalicylic acid","2-hydroxy-3,5-diiodobenzoic acid",OC(=O)c1cc(I)cc(I)c1O,OC(=O)c1cc(I)cc(I)c1O,"InChI=1/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",C7H4I2O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11765,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.659,DHZVWQPHNWDCFS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.660,205-125-6,134-01-0,"3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride","3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium chloride",[Cl-].COc1cc(ccc1O)c2[o+]c3cc(O)cc(O)c3cc2O,[Cl-].COc1cc(ccc1O)c2[o+]c3cc(O)cc(O)c3cc2O,"InChI=1/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H",C16H13O6.Cl,,,,,,NSXZFXQYMMOYKI-UHFFFAOYSA-M,,,,,,,,,,,
100.004.663,205-128-2,134-08-7,4-sulphophthalic anhydride,"1,3-dioxo-1,3-dihydro-2-benzofuran-5-sulfonic acid",OS(=O)(=O)c1ccc2C(=O)OC(=O)c2c1,OS(=O)(=O)c1ccc2C(=O)OC(=O)c2c1,"InChI=1/C8H4O6S/c9-7-5-2-1-4(15(11,12)13)3-6(5)8(10)14-7/h1-3H,(H,11,12,13)",C8H4O6S,,,,,,VJDQIBUPTBGINF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.665,205-130-3,134-11-2,2-ethoxybenzoic acid,2-ethoxybenzoic acid,CCOc1ccccc1C(=O)O,CCOc1ccccc1C(=O)O,"InChI=1/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)",C9H10O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18884,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.665,XDZMPRGFOOFSBL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.667,205-132-4,134-20-3,Methyl anthranilate,methyl 2-aminobenzoate,COC(=O)c1ccccc1N,COC(=O)c1ccccc1N,"InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3",C8H9NO2,,,,,,VAMXMNNIEUEQDV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.675,205-141-3,134-38-3,"5-(5-methyl-1,3-dioxan-4-yl)-1,3-benzodioxole","5-(5-methyl-1,3-dioxan-4-yl)-1,3-benzodioxole",CC1COCOC1c2ccc3OCOc3c2,CC1COCOC1c2ccc3OCOc3c2,"InChI=1/C12H14O4/c1-8-5-13-6-16-12(8)9-2-3-10-11(4-9)15-7-14-10/h2-4,8,12H,5-7H2,1H3",C12H14O4,,,,,,VSBPRBXTUAKKSY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.124,204-535-2,122-34-9,Simazine,"6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine",CCNc1nc(Cl)nc(NCC)n1,CCNc1nc(Cl)nc(NCC)n1,"InChI=1/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)",C7H12ClN5,,,,,,ODCWYMIRDDJXKW-UHFFFAOYSA-N,Positive,AU314101|AU314102|AU314103;SM841901;EA026201|EA026202|EA026203|EA026204|EA026205|EA026206|EA026207|EA026208|EA026209|EA026210|EA026211|EA026212|EA026213|EA026214;UF404101|UF404102|UF404103|UF404104,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,202.0848:204.082:203.0866|202.0848:132.0315:124.0859|132.0312:124.0865:202.0838;146.0228:202.0854:79.0058;124.087:202.0856:132.0325|202.0855:124.0874|202.0857:124.087:132.0324|202.0856:132.0324:124.087|132.0324:202.0853:124.087|104.001:68.0243:132.0324|68.0243:104.001:96.0556|202.0855:71.0602|202.0854:124.0869:132.0323|202.0854:132.0323:124.087|202.0855:132.0324:124.087|104.0011:68.0243:96.0557|104.001:68.0243:96.0556|202.0854:124.087:132.0323;202.0852:132.0322:124.0868|104.0009:96.0555:132.0322|202.0852:124.0868:132.0322|124.0868:132.0322:174.0539,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.004.126,204-537-3,122-36-1,"N,N'-dicyclohexyldithiooxamide","N,N'-bis(cyclohexyldisulfanyl)ethanediamide",O=C(NSSC1CCCCC1)C(=O)NSSC2CCCCC2,O=C(NSSC1CCCCC1)C(=O)NSSC2CCCCC2,"InChI=1/C14H24N2O2S4/c17-13(15-21-19-11-7-3-1-4-8-11)14(18)16-22-20-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)",C14H24N2S2,,,,,,KNXYPAIHLKBUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.131,204-543-6,122-43-0,Butyl phenylacetate,butyl phenylacetate,CCCCOC(=O)Cc1ccccc1,CCCCOC(=O)Cc1ccccc1,"InChI=1/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",C12H16O2,,,,,,LDOXTQYWWYXYSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.138,204-550-4,122-51-0,Triethyl orthoformate,"1,1',1''-[methanetriyltris(oxy)]triethane",CCOC(OCC)OCC,CCOC(OCC)OCC,"InChI=1/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3",C7H16O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15861,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.138,GKASDNZWUGIAMG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.141,204-554-6,122-56-5,Tributylborane,tributylborane,CCCCB(CCCC)CCCC,CCCCB(CCCC)CCCC,"InChI=1/C12H27B/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27B,,,,,,CMHHITPYCHHOGT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.556,203-911-3,111-82-0,Methyl laurate,methyl laurate,CCCCCCCCCCCC(=O)OC,CCCCCCCCCCCC(=O)OC,"InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3",C13H26O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14160,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.556,UQDUPQYQJKYHQI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.557,203-912-9,111-83-1,1-bromooctane,1-bromooctane,CCCCCCCCBr,CCCCCCCCBr,"InChI=1/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",C8H17Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17679,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.557,VMKOFRJSULQZRM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.558,203-913-4,111-84-2,Nonane,nonane,CCCCCCCCC,CCCCCCCCC,"InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3",C9H20,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11446,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.558,BKIMMITUMNQMOS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.560,203-916-0,111-86-4,Octylamine,octan-1-amine,CCCCCCCCN,CCCCCCCCN,"InChI=1/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3",C8H19N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1996,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.560,IOQPZZOEVPZRBK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.562,203-918-1,111-88-6,Octane-1-thiol,octane-1-thiol,CCCCCCCCS,CCCCCCCCS,"InChI=1/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",C8H18S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2130,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.562,KZCOBXFFBQJQHH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.576,203-933-3,112-07-2,2-butoxyethyl acetate,2-butoxyethyl acetate,CCCCOCCOC(=O)C,CCCCOCCOC(=O)C,"InChI=1/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3",C8H16O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16067,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.576,NQBXSWAWVZHKBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.588,203-946-4,112-21-0,"N,N'-diethylbut-2-enylenediamine","N,N'-diethylbut-2-ene-1,4-diamine",CCNCC=CCNCC,CCNCC=CCNCC,"InChI=1/C8H18N2/c1-3-9-7-5-6-8-10-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3",C8H18N2,,,,,,YWWSWEIXJXYQJB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.599,203-959-5,112-32-3,Octyl formate,octyl formate,CCCCCCCCOC=O,CCCCCCCCOC=O,"InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3",C9H18O2,,,,,,AVBRYQRTMPHARE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.154,204-568-2,122-71-4,"1,1-bis(phenethyloxy)ethane","1,1'-[ethane-1,1-diylbis(oxyethane-2,1-diyl)]dibenzene",CC(OCCc1ccccc1)OCCc2ccccc2,CC(OCCc1ccccc1)OCCc2ccccc2,"InChI=1/C18H22O2/c1-16(19-14-12-17-8-4-2-5-9-17)20-15-13-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3",C18H22O2,,,,,,JBMMTNRBVCXMHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.156,204-570-3,122-73-6,Benzyl isopentyl ether,[(3-methylbutoxy)methyl]benzene,CC(C)CCOCc1ccccc1,CC(C)CCOCc1ccccc1,"InChI=1/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",C12H18O,,,,,,RXXCIBALSKQCAE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.166,204-581-3,122-88-3,4-CPA,(4-chlorophenoxy)acetic acid,OC(=O)COc1ccc(Cl)cc1,OC(=O)COc1ccc(Cl)cc1,"InChI=1/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7ClO3,,,,,,SODPIMGUZLOIPE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.172,204-588-1,122-98-5,2-anilinoethanol,2-anilinoethanol,OCCNc1ccccc1,OCCNc1ccccc1,"InChI=1/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2",C8H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12386,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.172,MWGATWIBSKHFMR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.174,204-590-2,123-00-2,3-morpholinopropylamine,3-morpholin-4-ylpropan-1-amine,NCCCN1CCOCC1,NCCCN1CCOCC1,InChI=1/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2,C7H16N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17468,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.174,UIKUBYKUYUSRSM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.182,204-599-1,123-08-0,4-hydroxybenzaldehyde,4-hydroxybenzaldehyde,Oc1ccc(C=O)cc1,Oc1ccc(C=O)cc1,"InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",C7H6O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18740,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.182,RGHHSNMVTDWUBI-UHFFFAOYSA-N,Negative,,,,,,ML001651,[M-H]-,HCD50,121.0294:108.0218:93.0345,MetaboLights
100.004.669,205-135-0,134-28-1,"1-methyl-1-((3S,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl acetate","1-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)-1-methylethyl acetate",C[C@H]1CCC(CC2=C1CC[C@@H]2C)C(C)(C)OC(=O)C,C[C@H]1CCC(CC2=C1CC[C@@H]2C)C(C)(C)OC(=O)C,"InChI=1/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3",C17H28O2,,,,,,DRFSOBZVMGLICQ-VHBIQUBJSA-N,,,,,,,,,,,
100.004.670,205-136-6,134-30-5,8-hydroxyquinolinium citrate,tris(8-hydroxyquinolinium) citrate,Oc1cccc2ccc[nH+]c12.Oc3cccc4ccc[nH+]c34.Oc5cccc6ccc[nH+]c56.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],Oc1cccc2ccc[nH+]c12.Oc3cccc4ccc[nH+]c34.Oc5cccc6ccc[nH+]c56.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/3C9H7NO.C6H8O7/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*1-6,11H;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C9H7NO.C6H8O7,,,,,,QVUPDRMLSKEGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.677,205-143-4,134-49-6,Phenmetrazine,3-methyl-2-phenylmorpholine,CC1NCCOC1c2ccccc2,CC1NCCOC1c2ccccc2,"InChI=1/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",C11H15NO,,,,,,OOBHFESNSZDWIU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.794,205-273-1,137-03-1,2-heptylcyclopentanone,2-heptylcyclopentanone,CCCCCCCC1CCCC1=O,CCCCCCCC1CCCC1=O,"InChI=1/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3",C12H22O,,,,,,PJXHBTZLHITWFX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.795,205-274-7,137-04-2,2-chloroanilinium chloride,2-chloroanilinium chloride,[Cl-].[NH3+]c1ccccc1Cl,[Cl-].[NH3+]c1ccccc1Cl,"InChI=1/C6H6ClN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H",C6H6ClN.ClH,,,,,,DRGIDRZFKRLQTE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.796,205-275-2,137-05-3,Mecrilate,methyl 2-cyanoacrylate,COC(=O)C(=C)C#N,COC(=O)C(=C)C#N,"InChI=1/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3",C5H5NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16286,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.796,MWCLLHOVUTZFKS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.798,205-277-3,137-07-5,2-aminobenzenethiol,2-aminobenzenethiol,Nc1ccccc1S,Nc1ccccc1S,"InChI=1/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2",C6H7NS,,,,,,VRVRGVPWCUEOGV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.802,205-282-0,137-17-7,"2,4,5-trimethylaniline","2,4,5-trimethylaniline",Cc1cc(C)c(N)cc1C,Cc1cc(C)c(N)cc1C,"InChI=1/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3",C9H13N,,,,,,BMIPMKQAAJKBKP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.804,205-284-1,137-19-9,"4,6-dichlororesorcinol","4,6-dichlorobenzene-1,3-diol",Oc1cc(O)c(Cl)cc1Cl,Oc1cc(O)c(Cl)cc1Cl,"InChI=1/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H",C6H4Cl2O2,,,,,,GRLQBYQELUWBIO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.813,205-294-6,137-43-9,Bromocyclopentane,bromocyclopentane,BrC1CCCC1,BrC1CCCC1,"InChI=1/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2",C5H9Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15852,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.813,BRTFVKHPEHKBQF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.818,205-299-3,137-51-9,"4-aminobenzene-1,3-disulphonic acid","4-aminobenzene-1,3-disulfonic acid",Nc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O,Nc1ccc(cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C6H7NO6S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)",C6H7NO6S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12587,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.818,IMUUNYPYNWXUBO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.824,205-305-4,137-66-6,6-O-palmitoylascorbic acid,"2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl palmitate (non-preferred name)",CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=C1O)O,CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(=C1O)O,"InChI=1/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3",C22H38O7,,,,,,QAQJMLQRFWZOBN-LAUBAEHRSA-N,,,,,,,,,,,
100.004.829,205-311-7,138-07-8,[1-(aminocarbonyl)hydrazino]acetic acid,(1-carbamoylhydrazino)acetic acid,NN(CC(=O)O)C(=O)N,NN(CC(=O)O)C(=O)N,"InChI=1/C3H7N3O3/c4-3(9)6(5)1-2(7)8/h1,5H2,(H2,4,9)(H,7,8)",C3H7N3O3,,,,,,WHNSJMMQNFSFBX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.831,205-313-8,138-09-0,Disodium (S)-malate,disodium malate,[Na+].[Na+].O[C@@H](CC(=O)[O-])C(=O)[O-],[Na+].[Na+].O[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C4H6O5.2Na,,,,,,WPUMTJGUQUYPIV-JIZZDEOASA-L,,,,,,,,,,,
100.004.834,205-316-4,138-22-7,Butyl lactate,butyl 2-hydroxypropanoate,CCCCOC(=O)C(C)O,CCCCOC(=O)C(C)O,"InChI=1/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3",C7H14O3,,,,,,MRABAEUHTLLEML-UHFFFAOYSA-N,,,,,,,,,,,
100.004.844,205-327-4,138-41-0,Carzenide,4-sulfamoylbenzoic acid,NS(=O)(=O)c1ccc(cc1)C(=O)O,NS(=O)(=O)c1ccc(cc1)C(=O)O,"InChI=1/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)",C7H7NO4S,,,,,,UCAGLBKTLXCODC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.984,206-581-9,355-37-3,"Trideca-1,1,1,2,2,3,3,4,4,5,5,6,6-fluorohexane","1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H",C6HF13,,,,,,XJSRKJAHJGCPGC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.985,206-582-4,355-38-4,Perfluorohexanoyl fluoride,undecafluorohexanoyl fluoride,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18",C6F12O,,,,,,XATLHBQMSOZWBO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.759,214-034-0,1073-77-4,Methyl aziridine-1-propionate,methyl 3-aziridin-1-ylpropanoate,COC(=O)CCN1CC1,COC(=O)CCN1CC1,"InChI=1/C6H11NO2/c1-9-6(8)2-3-7-4-5-7/h2-5H2,1H3",C6H11NO2,,,,,,IKMSGGHCWBSOOO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.761,214-036-1,1074-12-0,Benzoylformaldehyde,oxo(phenyl)acetaldehyde,O=CC(=O)c1ccccc1,O=CC(=O)c1ccccc1,InChI=1/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H,C8H6O2,,,,,,OJUGVDODNPJEEC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.770,214-046-6,1074-82-4,N-potassium phthalimide,"potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide",[K+].O=C1[N-]C(=O)c2ccccc12,[K+].O=C1[N-]C(=O)c2ccccc12,"InChI=1/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1",C8H5NO2.K,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19062,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.770,FYRHIOVKTDQVFC-UHFFFAOYSA-M,,,,,,,,,,,
100.012.776,214-052-9,1075-35-0,5-chloro-2-methylindole,5-chloro-2-methyl-1H-indole,Cc1cc2cc(Cl)ccc2[nH]1,Cc1cc2cc(Cl)ccc2[nH]1,"InChI=1/C9H8ClN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3",C9H8ClN,,,,,,WUVWAXJXPRYUME-UHFFFAOYSA-N,,,,,,,,,,,
100.012.784,214-061-8,1076-43-3,(2H6)benzene,benzene,c1ccccc1,c1ccccc1,InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H,C6D6,,,,,,UHOVQNZJYSORNB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.447,214-791-7,1195-09-1,6-methoxy-m-cresol,2-methoxy-5-methylphenol,COc1ccc(C)cc1O,COc1ccc(C)cc1O,"InChI=1/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3",C8H10O2,,,,,,IFNDEOYXGHGERA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.449,214-793-8,1195-16-0,N-(tetrahydro-2-oxothienyl)acetamide,N-(2-oxotetrahydrothiophen-3-yl)acetamide,CC(=O)NC1CCSC1=O,CC(=O)NC1CCSC1=O,"InChI=1/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)",C6H9NO2S,,,,,,NRFJZTXWLKPZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.451,214-795-9,1195-32-0,"p,a-dimethylstyrene",1-isopropenyl-4-methylbenzene,CC(=C)c1ccc(C)cc1,CC(=C)c1ccc(C)cc1,"InChI=1/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C10H12,,,,,,MMSLOZQEMPDGPI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.459,214-805-1,1195-92-2,1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptane,4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane,CC(=C)C1CCC2(C)OC2C1,CC(=C)C1CCC2(C)OC2C1,"InChI=1/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3",C10H16O,,,,,,CCEFMUBVSUDRLG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.475,214-822-4,1197-33-7,2-methylcinnamonitrile,3-(2-methylphenyl)acrylonitrile,Cc1ccccc1\\C=C\\C#N,Cc1ccccc1\C=C\C#N,"InChI=1/C10H9N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-7H,1H3",C10H9N,,,,,,RMDBHIHGJNGKDD-QPJJXVBHSA-N,,,,,,,,,,,
100.013.490,214-839-7,1198-84-1,4-hydroxyphenylglycolic acid,hydroxy(4-hydroxyphenyl)acetic acid,OC(C(=O)O)c1ccc(O)cc1,OC(C(=O)O)c1ccc(O)cc1,"InChI=1/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)",C8H8O4,,,,,,YHXHKYRQLYQUIH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.494,214-843-9,1199-36-6,1-chloro-4-(methylthio)-2-nitrobenzene,1-chloro-4-(methylsulfanyl)-2-nitrobenzene,CSc1ccc(Cl)c(c1)[N+](=O)[O-],CSc1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C7H6ClNO2S/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",C7H6ClNO2S,,,,,,UFLRXTNPCRROEB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.173,211-189-6,632-99-5,"(4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride","4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride",Cl.Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,Cl.Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,"InChI=1/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H",C20H19N3.ClH,,,,,,NIKFYOSELWJIOF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.175,211-191-7,633-31-8,Cholest-5-en-3ß-yl propionate,cholest-5-en-3-yl propionate,CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3",C30H50O2,,,,,,CCORPVHYPHHRKB-NXUCFJMCSA-N,,,,,,,,,,,
100.010.180,211-196-4,633-66-9,Berberine hydrogen sulphate,"9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium hydrogen sulfate",COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC.[O-]S(=O)(=O)[O-],COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC.[O-]S(=O)(=O)[O-],"InChI=1/C20H18NO4.H2O4S/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2",C20H18NO4.HO4S,,,,,,JISRTQBQFQMSLG-UHFFFAOYSA-L,,,,,,,,,,,
100.010.182,211-199-0,633-96-5,Sodium 4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate,sodium 4-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O,"InChI=1/C16H12N2O4S.Na/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1",C16H12N2O4S.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16539,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.182,CQPFMGBJSMSXLP-UHFFFAOYSA-M,,,,,,,,,,,
100.010.183,211-200-4,633-99-8,1-chloro-2-naphthol,1-chloro-2-naphthol,Oc1ccc2ccccc2c1Cl,Oc1ccc2ccccc2c1Cl,"InChI=1/C10H7ClO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H",C10H7ClO,,,,,,RMSOEGBYNWXXBG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.676,205-142-9,134-47-4,"4,4'-dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)",4-hydroxy-7-{[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]amino}naphthalene-2-sulfonic acid,Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)O)ccc12)S(=O)(=O)O,Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)O)ccc12)S(=O)(=O)O,"InChI=1/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)",C21H16N2O9S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18157,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.676,PCGISRHGYLRXSR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.679,205-146-0,134-54-3,4-aminonaphthalene-2-sulphonic acid,4-aminonaphthalene-2-sulfonic acid,Nc1cc(cc2ccccc12)S(=O)(=O)O,Nc1cc(cc2ccccc12)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,HXXMONHYPKNZHE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.685,205-152-3,134-69-0,Disodium urate,"sodium 2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-olate",[Na]Oc1nc2NC(=O)NC(=O)c2[nH]1,[Na]Oc1nc2NC(=O)NC(=O)c2[nH]1,"InChI=1/C5H4N4O3.Na/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);/q;+1/p-1",C5H4N4O3.2Na,,,,,,NAFSTSRULRIERK-UHFFFAOYSA-M,,,,,,,,,,,
100.004.691,205-159-1,134-84-9,4-methylbenzophenone,(4-methylphenyl)(phenyl)methanone,Cc1ccc(cc1)C(=O)c2ccccc2,Cc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3",C14H12O,,,,,,WXPWZZHELZEVPO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.792,205-271-0,136-99-2,"4,5-dihydro-2-undecyl-1H-imidazole-1-ethanol","2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCCCCCC1=NCCN1CCO,CCCCCCCCCCCC1=NCCN1CCO,"InChI=1/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19/h19H,2-15H2,1H3",C16H32N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17297,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.792,QNDGQRJVVZJMJO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.803,205-283-6,137-18-8,"2,5-dimethyl-p-benzoquinone","2,5-dimethyl-1,4-benzoquinone",CC1=CC(=O)C(=CC1=O)C,CC1=CC(=O)C(=CC1=O)C,"InChI=1/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3",C8H8O2,,,,,,MYKLQMNSFPAPLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.805,205-285-7,137-20-2,Sodium 2-[methyloleoylamino]ethane-1-sulphonate,sodium 2-[methyl(oleoyl)amino]ethanesulfonate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],"InChI=1/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1",C21H41NO4S.Na,,,,,,IZWPGJFSBABFGL-GMFCBQQYSA-M,,,,,,,,,,,
100.004.807,205-287-8,137-29-1,Copper bis(dimethyldithiocarbamate),copper(2+) bis(dimethyldithiocarbamate),[Cu+2].S=C([S-])N(C)C.CN(C)C([S-])=S,[Cu+2].S=C([S-])N(C)C.CN(C)C([S-])=S,"InChI=1/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2",C6H12CuN2S4,,,,,,ZOUQIAGHKFLHIA-UHFFFAOYSA-L,,,,,,,,,,,
100.004.809,205-289-9,137-32-6,2-methylbutan-1-ol,2-methylbutan-1-ol,CCC(C)CO,CCC(C)CO,"InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",C5H12O,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12040,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.809,QPRQEDXDYOZYLA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.812,205-293-0,137-42-8,Metam-sodium,sodium methyldithiocarbamate,[Na+].CNC(=S)[S-],[Na+].CNC(=S)[S-],"InChI=1/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1",C2H5NS2.Na,,,,,,AFCCDDWKHLHPDF-UHFFFAOYSA-M,,,,,,,,,,,
100.004.821,205-302-8,137-58-6,Lidocaine,"N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide",CCN(CC)CC(=O)Nc1c(C)cccc1C,CCN(CC)CC(=O)Nc1c(C)cccc1C,"InChI=1/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",C14H22N2O,,,,,,NNJVILVZKWQKPM-UHFFFAOYSA-N,Positive,AU121202|AU121203|AU121204;EA257201|EA257202|EA257203|EA257204|EA257205|EA257206|EA257207|EA257208|EA257209|EA257210|EA257211|EA257212|EA257213|EA257214;ET080001|ET080002|ET080003|ET080004|ET080005;TUE00461|TUE00462|TUE00463;UF410201|UF410202|UF410203|UF410204,[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+,"CID20|CID30|CID40;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55",235.18:173.0792:217.1067|134.0957:235.1804:155.0676|134.096:173.1067:122.0959;86.0964:58.0649|235.1805:86.0962|235.1805:86.0964:58.065|86.0965:235.1814:58.0651|86.0965:58.0651|86.0964:58.0651|86.0964:58.0651|235.1805:86.0964|235.1806:86.0964:58.065|86.0965:235.1797:58.0651|86.0964:58.0651|86.0964:58.0651|86.0964:58.0651|86.0964:58.065;86.0965:58.0656|86.0965:58.0656|86.0965:58.0656:134.0968|235.1807:86.0965|86.0965:235.1807;86.0966:235.181:58.0653|86.0966:58.0652|86.0966:58.0652;86.0964:133.0077:235.1807|86.0964:133.0077:134.0965|86.0964:235.1808:133.0078|86.0964:133.0076:179.0131,Athens_Univ;Eawag;Eawag_Additional_Specs;Env_Anal_Chem_U_Tuebingen;UFZ,,,,,
100.004.823,205-304-9,137-65-5,2-amino-5-(aminosulphonyl)benzoic acid,2-amino-5-sulfamoylbenzoic acid,Nc1ccc(cc1C(=O)O)S(=O)(=O)N,Nc1ccc(cc1C(=O)O)S(=O)(=O)N,"InChI=1/C7H8N2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)(H2,9,12,13)",C7H8N2O4S,,,,,,JRGAUAWPCLQHTF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.827,205-309-6,137-97-3,"1,3-di-o-tolyl-2-thiourea","1,3-bis(2-methylphenyl)thiourea",Cc1ccccc1NC(=S)Nc2ccccc2C,Cc1ccccc1NC(=S)Nc2ccccc2C,"InChI=1/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)",C15H16N2S,,,,,,KWPNNZKRAQDVPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.833,205-315-9,138-15-8,Glutamic acid hydrochloride,glutamic acid hydrochloride,Cl.NC(CCC(=O)O)C(=O)O,Cl.NC(CCC(=O)O)C(=O)O,"InChI=1/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H",C5H9NO4.ClH,,,,,,RPAJSBKBKSSMLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.994,206-592-9,355-75-9,Decafluorocyclohexene,decafluorocyclohexene,FC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C6F10/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10",C6F10,,,,,,ZFFLXJVVPHACEG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.183,204-600-5,123-09-1,1-chloro-4-(methylthio)benzene,1-chloro-4-(methylsulfanyl)benzene,CSc1ccc(Cl)cc1,CSc1ccc(Cl)cc1,"InChI=1/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7ClS,,,,,,KIQQUVJOLVCZKG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.187,204-604-7,123-13-7,1-hexylpyrrolidine,1-hexylpyrrolidine,CCCCCCN1CCCC1,CCCCCCN1CCCC1,"InChI=1/C10H21N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-10H2,1H3",C10H21N,,,,,,OUKZCQQNMWXMNE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.188,204-605-2,123-15-9,2-methylvaleraldehyde,2-methylpentanal,CCCC(C)C=O,CCCC(C)C=O,"InChI=1/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3",C6H12O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12255,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.188,FTZILAQGHINQQR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.198,204-616-2,123-30-8,4-aminophenol,4-aminophenol,Nc1ccc(O)cc1,Nc1ccc(O)cc1,"InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2",C6H7NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13807,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.198,PLIKAWJENQZMHA-UHFFFAOYSA-N,Positive,SM825501,[M+H]+,HCD35,110.06:92.0494:65.0386,CASMI_2016,,,,,
100.004.199,204-617-8,123-31-9,Hydroquinone,hydroquinone,Oc1ccc(O)cc1,Oc1ccc(O)cc1,"InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H",C6H6O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14417,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.199,QIGBRXMKCJKVMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.206,204-625-1,123-41-1,Choline hydroxide,"2-hydroxy-N,N,N-trimethylethanaminium hydroxide",[OH-].C[N+](C)(C)CCO,[OH-].C[N+](C)(C)CCO,"InChI=1/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1",C5H14NO.HO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5289,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.206,KIZQNNOULOCVDM-UHFFFAOYSA-M,,,,,,,,,,,
100.004.207,204-626-7,123-42-2,4-hydroxy-4-methylpentan-2-one,4-hydroxy-4-methylpentan-2-one,CC(=O)CC(C)(C)O,CC(=O)CC(C)(C)O,"InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",C6H12O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13357,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.207,SWXVUIWOUIDPGS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.209,204-628-8,123-44-4,"2,2,4-trimethylpentan-1-ol","2,2,4-trimethylpentan-1-ol",CC(C)CC(C)(C)CO,CC(C)CC(C)(C)CO,"InChI=1/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H3",C8H18O,,,,,,CWPPDTVYIJETDF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.210,204-629-3,123-46-6,(hydrazinocarbonylmethyl)trimethylammonium chloride,"2-hydrazino-N,N,N-trimethyl-2-oxoethanaminium chloride",[Cl-].C[N+](C)(C)CC(=O)NN,[Cl-].C[N+](C)(C)CC(=O)NN,"InChI=1/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H",C5H14N3O.Cl,,,,,,YSULOORXQBDPCU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.215,204-635-6,123-56-8,Succinimide,"pyrrolidine-2,5-dione",O=C1CCC(=O)N1,O=C1CCC(=O)N1,"InChI=1/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)",C4H5NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11497,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.215,KZNICNPSHKQLFF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.216,204-636-1,123-59-1,"1-ethoxy-1,3,3-trimethoxypropane","1-ethoxy-1,3,3-trimethoxypropane",CCOC(CC(OC)OC)OC,CCOC(CC(OC)OC)OC,"InChI=1/C8H18O4/c1-5-12-8(11-4)6-7(9-2)10-3/h7-8H,5-6H2,1-4H3",C8H18O4,,,,,,GHZXJUYUMMBNHP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.218,204-638-2,123-62-6,Propionic anhydride,propanoic anhydride,CCC(=O)OC(=O)CC,CCC(=O)OC(=O)CC,"InChI=1/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3",C6H10O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5412,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.218,WYVAMUWZEOHJOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.220,204-640-3,123-66-0,Ethyl hexanoate,ethyl hexanoate,CCCCCC(=O)OCC,CCCCCC(=O)OCC,"InChI=1/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3",C8H16O2,,,,,,SHZIWNPUGXLXDT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.224,204-645-0,123-70-6,Methylbis(3-methylaminopropyl)amine,"N,N'-dimethyl-N-[3-(methylamino)propyl]propane-1,3-diamine",CNCCCN(C)CCCNC,CNCCCN(C)CCCNC,"InChI=1/C9H23N3/c1-10-6-4-8-12(3)9-5-7-11-2/h10-11H,4-9H2,1-3H3",C9H23N3,,,,,,PQYGBJHVVYREGU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.226,204-647-1,123-73-9,(E)-crotonaldehyde,but-2-enal,C\\C=C\\C=O,C\C=C\C=O,"InChI=1/C4H6O/c1-2-3-4-5/h2-4H,1H3",C4H6O,,,,,,MLUCVPSAIODCQM-NSCUHMNNSA-N,,,,,,,,,,,
100.004.233,204-655-5,123-82-0,Tuaminoheptane,heptan-2-amine,CCCCCC(C)N,CCCCCC(C)N,"InChI=1/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3",C7H17N,,,,,,VSRBKQFNFZQRBM-UHFFFAOYSA-N,Positive,EQ315301|EQ315302|EQ315303|EQ315304|EQ315305|EQ315306,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,57.0699:116.1434:53.0023|57.0699:116.1434:71.0856|57.07:116.1434:71.0855|57.0699:116.1433:53.0023|57.0699:53.0023:71.0855|57.0699:53.0023:55.0544,Eawag,,,,,
100.004.235,204-657-6,123-84-2,1-[(2-aminoethyl)amino]propan-2-ol,1-[(2-aminoethyl)amino]propan-2-ol,CC(O)CNCCN,CC(O)CNCCN,"InChI=1/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3",C5H14N2O,,,,,,CWKVFRNCODQPDB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.236,204-658-1,123-86-4,N-butyl acetate,butyl acetate,CCCCOC(=O)C,CCCCOC(=O)C,"InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",C6H12O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15948,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.236,DKPFZGUDAPQIHT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.238,204-660-2,123-90-0,Thiazolidinane,thiomorpholine,C1CSCCN1,C1CSCCN1,"InChI=1/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2",C4H9NS,,,,,,BRNULMACUQOKMR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.245,204-668-6,123-98-8,Azelaoyl chloride,nonanedioyl dichloride,ClC(=O)CCCCCCCC(=O)Cl,ClC(=O)CCCCCCCC(=O)Cl,InChI=1/C9H14Cl2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2,C9H14Cl2O2,,,,,,HGEVGSTXQGZPCL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.249,204-672-8,124-03-8,Hexadecylethyldimethylammonium bromide,"N-ethyl-N,N-dimethylhexadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CC,[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CC,"InChI=1/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1",C20H44N.Br,,,,,,VUFOSBDICLTFMS-UHFFFAOYSA-M,,,,,,,,,,,
100.005.988,206-586-6,355-43-1,"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane","1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20",C6F13I,,,,,,BULLJMKUVKYZDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.992,206-590-8,355-63-5,Perfluorohept-1-ene,"1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-1-ene",FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F,FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F,"InChI=1/C7F14/c8-1(2(9)10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21",C7F14,,,,,,CDAVUOSPHHTNBU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.995,206-593-4,355-80-6,"2,2,3,3,4,4,5,5-octafluoropentan-1-ol","2,2,3,3,4,4,5,5-octafluoropentan-1-ol",OCC(F)(F)C(F)(F)C(F)(F)C(F)F,OCC(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2",C5H4F8O,,,,,,JUGSKHLZINSXPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.996,206-595-5,355-86-2,"Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate","tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate",FC(F)C(F)(F)C(F)(F)C(F)(F)COP(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,FC(F)C(F)(F)C(F)(F)C(F)(F)COP(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C15H9F24O4P/c16-4(17)10(28,29)13(34,35)7(22,23)1-41-44(40,42-2-8(24,25)14(36,37)11(30,31)5(18)19)43-3-9(26,27)15(38,39)12(32,33)6(20)21/h4-6H,1-3H2",C15H9F24O4P,,,,,,BSOLVVCARHZLMT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.997,206-596-0,355-93-1,"2,2,3,3,4,4,5,5-octafluoropentyl methacrylate","2,2,3,3,4,4,5,5-octafluoropentyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C9H8F8O2/c1-4(2)5(18)19-3-7(12,13)9(16,17)8(14,15)6(10)11/h6H,1,3H2,2H3",C9H8F8O2,,,,,,ZNJXRXXJPIFFAO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.999,206-598-1,356-15-0,Tetrafluorosuccinyl chloride,tetrafluorosuccinoyl dichloride,FC(F)(C(=O)Cl)C(F)(F)C(=O)Cl,FC(F)(C(=O)Cl)C(F)(F)C(=O)Cl,"InChI=1/C4Cl2F4O2/c5-1(11)3(7,8)4(9,10)2(6)12",C4Cl2F4O2,,,,,,XCSFZFHJQXODPO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.000,206-599-7,356-18-3,"1,2-dichlorohexafluorocyclobutane","1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane",FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl,FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl,"InChI=1/C4Cl2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10",C4Cl2F6,,,,,,LMHAGAHDHRQIMB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.005,206-604-2,356-42-3,Pentafluoropropionic anhydride,pentafluoropropanoic anhydride,FC(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)F,"InChI=1/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16",C6F10O3,,,,,,XETRHNFRKCNWAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.023,206-624-1,359-08-0,"2-bromo-1,1-difluoroethylene","2-bromo-1,1-difluoroethene",FC(=CBr)F,FC(=CBr)F,InChI=1/C2HBrF2/c3-1-2(4)5/h1H,C2HBrF2,,,,,,QZGNGBWAMYFUST-UHFFFAOYSA-N,,,,,,,,,,,
100.006.026,206-627-8,359-29-5,Trichlorofluoroethylene,"1,1,2-trichloro-2-fluoroethene",FC(=C(Cl)Cl)Cl,FC(=C(Cl)Cl)Cl,InChI=1/C2Cl3F/c3-1(4)2(5)6,C2Cl3F,,,,,,LFMIQNJMJJKICW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.028,206-629-9,359-37-5,Trifluoroiodoethylene,"1,1,2-trifluoro-2-iodoethene",FC(=C(F)I)F,FC(=C(F)I)F,InChI=1/C2F3I/c3-1(4)2(5)6,C2F3I,,,,,,PZVZTKFRZJMHEM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.848,205-332-1,138-56-7,Trimethobenzamide,"N-{4-[2-(dimethylamino)ethoxy]benzyl}-3,4,5-trimethoxybenzamide",COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,"InChI=1/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)",C21H28N2O5,,,,,,FEZBIKUBAYAZIU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.850,205-334-2,138-59-0,"(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid","3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid",O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)O,O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)O,"InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)",C7H10O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11155,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.850,JXOHGGNKMLTUBP-HSUXUTPPSA-N,,,,,,,,,,,
100.004.851,205-335-8,138-60-3,"1,4-dihydro-4-oxopyridine-2,6-dicarboxylic acid","4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid",OC(=O)C1=CC(=O)C=C(N1)C(=O)O,OC(=O)C1=CC(=O)C=C(N1)C(=O)O,"InChI=1/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)",C7H5NO5,,,,,,XTLJJHGQACAZMS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.856,205-341-0,138-86-3,Dipentene,4-isopropenyl-1-methylcyclohexene,CC(=C)C1CCC(=CC1)C,CC(=C)C1CCC(=CC1)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C10H16,,,,,,XMGQYMWWDOXHJM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.857,205-342-6,138-87-4,1-methyl-4-(1-methylvinyl)cyclohexan-1-ol,4-isopropenyl-1-methylcyclohexanol,CC(=C)C1CCC(C)(O)CC1,CC(=C)C1CCC(C)(O)CC1,"InChI=1/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3",C10H18O,,,,,,RUJPNZNXGCHGID-UHFFFAOYSA-N,,,,,,,,,,,
100.004.863,205-348-9,139-05-9,Sodium cyclamate,sodium cyclohexylsulfamate,[Na+].[O-]S(=O)(=O)NC1CCCCC1,[Na+].[O-]S(=O)(=O)NC1CCCCC1,"InChI=1/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1",C6H13NO3S.Na,,,,,,UDIPTWFVPPPURJ-UHFFFAOYSA-M,,,,,,,,,,,
100.004.869,205-355-7,139-13-9,Nitrilotriacetic acid,"2,2',2''-nitrilotriacetic acid",OC(=O)CN(CC(=O)O)CC(=O)O,OC(=O)CN(CC(=O)O)CC(=O)O,"InChI=1/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)",C6H9NO6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12171,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.869,MGFYIUFZLHCRTH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.186,211-204-6,634-03-7,Phendimetrazine,"3,4-dimethyl-2-phenylmorpholine",CC1C(OCCN1C)c2ccccc2,CC1C(OCCN1C)c2ccccc2,"InChI=1/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3",C12H17NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18033,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.186,MFOCDFTXLCYLKU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.190,211-208-8,634-42-4,N-1-naphthylbenzamide,N-1-naphthylbenzamide,O=C(Nc1cccc2ccccc12)c3ccccc3,O=C(Nc1cccc2ccccc12)c3ccccc3,"InChI=1/C17H13NO/c19-17(14-8-2-1-3-9-14)18-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H,18,19)",C17H13NO,,,,,,ALANUUFGKYEMNI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.204,211-224-5,635-05-2,Pamaquine,"N~1~,N~1~-diethyl-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine",CCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12,CCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12,"InChI=1/C19H29N3O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3",C23H16O6.C19H29N3O,,,,,,QTQWMSOQOSJFBV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.205,211-225-0,635-08-5,"3,4,5,6-tetrahydrophthalic acid","cyclohex-1-ene-1,2-dicarboxylic acid",OC(=O)C1=C(CCCC1)C(=O)O,OC(=O)C1=C(CCCC1)C(=O)O,"InChI=1/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12)",C8H10O4,,,,,,UFDHBDMSHIXOKF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.208,211-228-7,635-12-1,"1,4-anthraquinone","anthracene-1,4-dione",O=C1C=CC(=O)c2cc3ccccc3cc12,O=C1C=CC(=O)c2cc3ccccc3cc12,InChI=1/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H,C14H8O2,,,,,,LSOTZYUVGZKSHR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.210,211-230-8,635-21-2,5-chloroanthranilic acid,2-amino-5-chlorobenzoic acid,Nc1ccc(Cl)cc1C(=O)O,Nc1ccc(Cl)cc1C(=O)O,"InChI=1/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)",C7H6ClNO2,,,,,,IFXKXCLVKQVVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.212,211-232-9,635-26-7,o-tolylhydrazinium(1+) chloride,(2-methylphenyl)hydrazine,Cc1ccccc1NN,Cc1ccccc1NN,"InChI=1/C7H10N2/c1-6-4-2-3-5-7(6)9-8/h2-5,9H,8H2,1H3",C7H10N2.ClH,,,,,,SCZGZDLUGUYLRV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.215,211-236-0,635-41-6,Trimetozine,"4-(3,4,5-trimethoxybenzoyl)morpholine",COc1cc(cc(OC)c1OC)C(=O)N2CCOCC2,COc1cc(cc(OC)c1OC)C(=O)N2CCOCC2,"InChI=1/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3",C14H19NO5,,,,,,XWVOEFLBOSSYGM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.218,211-239-7,635-65-4,Bilirubin,bilirubin,CC1=C(C=C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,CC1=C(C=C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,"InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)",C33H36N4O6,,,,,,BPYKTIZUTYGOLE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.829,213-011-2,911-77-3,N-alpha-benzoyl-4'-nitro-DL-argininanilide hydrochloride,N~2~-benzoyl-N-(4-nitrophenyl)argininamide,NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22)",C19H22N6O4.ClH,,,,,,RKDYKIHMFYAPMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.836,213-019-6,915-05-9,Stigmast-5-en-3-ß-yl acetate,stigmast-5-en-3-yl acetate,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)C(C)C,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)C(C)C,"InChI=1/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3",C31H52O2,,,,,,PBWOIPCULUXTNY-LBKBYZTLSA-N,,,,,,,,,,,
100.011.837,213-020-1,915-30-0,Diphenoxylate,"ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate",CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4,CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4,"InChI=1/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3",C30H32N2O2,,,,,,HYPPXZBJBPSRLK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.839,213-022-2,915-67-3,"Trisodium 3-hydroxy-4-(4'-sulphonatonaphthylazo)naphthalene-2,7-disulphonate","trisodium 3-hydroxy-4-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc1c(N=Nc2ccc(c3ccccc23)S(=O)(=O)[O-])c4ccc(cc4cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Oc1c(N=Nc2ccc(c3ccccc23)S(=O)(=O)[O-])c4ccc(cc4cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3",C20H14N2O10S3.3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17264,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.839,WLDHEUZGFKACJH-UHFFFAOYSA-K,,,,,,,,,,,
100.011.853,213-037-4,918-04-7,Sodium 1-hydroxyethanesulphonate,sodium 1-hydroxyethanesulfonate,[Na+].CC(O)S(=O)(=O)[O-],[Na+].CC(O)S(=O)(=O)[O-],"InChI=1/C2H6O4S.Na/c1-2(3)7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1",C2H6O4S.Na,,,,,,CZDZQGXAHZVGPL-UHFFFAOYSA-M,,,,,,,,,,,
100.011.859,213-044-2,918-85-4,3-methylpent-1-en-3-ol,3-methylpent-1-en-3-ol,CCC(C)(O)C=C,CCC(C)(O)C=C,"InChI=1/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3",C6H12O,,,,,,HFYAEUXHCMTPOL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.002,206-601-6,356-26-3,"1-ethoxy-2,2,3,3,4,4,4-heptafluorobutan-1-ol","1-ethoxy-2,2,3,3,4,4,4-heptafluorobutan-1-ol",CCOC(O)C(F)(F)C(F)(F)C(F)(F)F,CCOC(O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6H7F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h3,14H,2H2,1H3",C6H7F7O2,,,,,,NPUHUJNJOILQJC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.004,206-603-7,356-28-5,Vinyl heptafluorobutyrate,vinyl heptafluorobutanoate,FC(F)(F)C(F)(F)C(F)(F)C(=O)OC=C,FC(F)(F)C(F)(F)C(F)(F)C(=O)OC=C,"InChI=1/C6H3F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H,1H2",C6H3F7O2,,,,,,CJABYGHRZGXUKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.006,206-605-8,356-45-6,Bis(pentafluoropropionyl) peroxide,bis(pentafluoroethyl)peroxyanhydride,FC(F)(F)C(F)(F)C(=O)OOC(=O)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(=O)OOC(=O)C(F)(F)C(F)(F)F,"InChI=1/C6F10O4/c7-3(8,5(11,12)13)1(17)19-20-2(18)4(9,10)6(14,15)16",C6F10O4,,,,,,NHJFHUKLZMQIHN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.007,206-606-3,356-47-8,"2,2,3,3,4,4,5,5,6-nonafluorotetrahydro-6-(trifluoromethyl)-2H-pyran","2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)tetrahydro-2H-pyran",FC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C6F12O/c7-1(8)2(9,10)4(13,5(14,15)16)19-6(17,18)3(1,11)12",C6F12O,,,,,,ZCPSRQQUNLMQMM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.009,206-608-4,356-86-5,"2,2,3,3,3-pentafluoropropyl acrylate","2,2,3,3,3-pentafluoropropyl acrylate",FC(F)(F)C(F)(F)COC(=O)C=C,FC(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2",C6H5F5O2,,,,,,JDVGNKIUXZQTFD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.014,206-614-7,357-57-3,Brucine,"2,3-dimethoxystrychnidin-10-one",COc1cc2N3C(=O)C[C@@H]4OC\\C=C7\\CN5CC[C@]6(c2cc1OC)[C@@H]3[C@H]4[C@H]7C[C@H]56,COc1cc2N3C(=O)C[C@@H]4OC\C=C7\CN5CC[C@]6(c2cc1OC)[C@@H]3[C@H]4[C@H]7C[C@H]56,"InChI=1/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3",C23H26N2O4,,,,,,RRKTZKIUPZVBMF-IBTVXLQLSA-N,,,,,,,,,,,
100.006.017,206-617-3,358-43-0,Triethylfluorosilane,triethyl(fluoro)silane,CC[Si](F)(CC)CC,CC[Si](F)(CC)CC,"InChI=1/C6H15FSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3",C6H15FSi,,,,,,QVMRVWAOMIXFFW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.021,206-622-0,359-04-6,"1-chloro-1,2-difluoroethylene","1-chloro-1,2-difluoroethene",F\\C=C(/F)\\Cl,F\C=C(/F)\Cl,InChI=1/C2HClF2/c3-2(5)1-4/h1H,C2HClF2,,,,,,CJENPNUXCMYXPT-UPHRSURJSA-N,,,,,,,,,,,
100.006.024,206-625-7,359-10-4,"2-chloro-1,1-difluoroethylene","2-chloro-1,1-difluoroethene",FC(=CCl)F,FC(=CCl)F,InChI=1/C2HClF2/c3-1-2(4)5/h1H,C2HClF2,,,,,,HTHNTJCVPNKCPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.027,206-628-3,359-35-3,"1,1,2,2-tetrafluoroethane","1,1,2,2-tetrafluoroethane",FC(F)C(F)F,FC(F)C(F)F,InChI=1/C2H2F4/c3-1(4)2(5)6/h1-2H,C2H2F4,,,,,,WXGNWUVNYMJENI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.846,205-330-0,138-43-2,Sodium [[4-(aminosulphonyl)phenyl]amino]methanesulphonate,sodium [(4-sulfamoylphenyl)amino]methanesulfonate,[Na+].NS(=O)(=O)c1ccc(NCS(=O)(=O)[O-])cc1,[Na+].NS(=O)(=O)c1ccc(NCS(=O)(=O)[O-])cc1,"InChI=1/C7H10N2O5S2.Na/c8-16(13,14)7-3-1-6(2-4-7)9-5-15(10,11)12;/h1-4,9H,5H2,(H2,8,13,14)(H,10,11,12);/q;+1/p-1",C7H10N2O5S2.Na,,,,,,VKZGVDCPGKEMEW-UHFFFAOYSA-M,,,,,,,,,,,
100.004.847,205-331-6,138-52-3,a-hydroxy-o-tolyl ß-D-glucopyranoside,2-(hydroxymethyl)phenyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2",C13H18O7,,,,,,NGFMICBWJRZIBI-UJPOAAIJSA-N,,,,,,,,,,,
100.004.854,205-338-4,138-84-1,Potassium 4-aminobenzoate,potassium 4-aminobenzoate,[K+].Nc1ccc(cc1)C(=O)[O-],[K+].Nc1ccc(cc1)C(=O)[O-],"InChI=1/C7H7NO2.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",C7H7NO2.K,,,,,,MZKKJVZIFIQOPP-UHFFFAOYSA-M,,,,,,,,,,,
100.004.855,205-340-5,138-85-2,Sodium 4-hydroxymercuriobenzoate,sodium (4-carboxylatophenyl)(hydroxy)mercury,[Na+].O[Hg]c1ccc(cc1)C(=O)[O-],[Na+].O[Hg]c1ccc(cc1)C(=O)[O-],"InChI=1/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q;2*+1;/p-2/rC7H6HgO3.Na/c9-7(10)5-1-3-6(8-11)4-2-5;/h1-4,11H,(H,9,10);/q;+1/p-1",C7H5HgO3.Na,,,,,,CBELQCYFTSHKPJ-UHFFFAOYSA-L,,,,,,,,,,,
100.004.858,205-343-1,138-89-6,"N,N-dimethyl-4-nitrosoaniline","N,N-dimethyl-4-nitrosoaniline",CN(C)c1ccc(cc1)N=O,CN(C)c1ccc(cc1)N=O,"InChI=1/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3",C8H10N2O,,,,,,CMEWLCATCRTSGF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.864,205-349-4,139-06-0,Calcium bis(cyclohexylsulphamate),calcium bis(cyclohexylsulfamate),[Ca+2].[O-]S(=O)(=O)NC1CCCCC1.[O-]S(=O)(=O)NC2CCCCC2,[Ca+2].[O-]S(=O)(=O)NC1CCCCC1.[O-]S(=O)(=O)NC2CCCCC2,"InChI=1/2C6H13NO3S.Ca/c2*8-11(9,10)7-6-4-2-1-3-5-6;/h2*6-7H,1-5H2,(H,8,9,10);/q;;+2/p-2",C6H13NO3S.1/2Ca,,,,,,UKLJMHXGZUJRTL-UHFFFAOYSA-L,,,,,,,,,,,
100.004.866,205-352-0,139-08-2,Miristalkonium chloride,"N-benzyl-N,N-dimethyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1",C23H42N.Cl,,,,,,OCBHHZMJRVXXQK-UHFFFAOYSA-M,,,,,,,,,,,
100.004.254,204-678-0,124-08-3,2-ethoxyethylmercury acetate,(2-ethoxyethyl)mercury(1+) acetate,CCOCC[Hg+].CC(=O)[O-],CCOCC[Hg+].CC(=O)[O-],"InChI=1/C4H9O.C2H4O2.Hg/c1-3-5-4-2;1-2(3)4;/h1,3-4H2,2H3;1H3,(H,3,4);/q;;+1/p-1/rC4H9HgO.C2H4O2/c1-2-6-4-3-5;1-2(3)4/h2-4H2,1H3;1H3,(H,3,4)/q+1;/p-1",C6H12HgO3,,,,,,FAVXZIAISXPFRT-UHFFFAOYSA-M,,,,,,,,,,,
100.004.255,204-679-6,124-09-4,Hexamethylenediamine,"hexane-1,6-diamine",NCCCCCCN,NCCCCCCN,InChI=1/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2,C6H16N2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16081,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.255,NAQMVNRVTILPCV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.256,204-680-1,124-10-7,Methyl myristate,methyl myristate,CCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCC(=O)OC,"InChI=1/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3",C15H30O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2058,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.256,ZAZKJZBWRNNLDS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.264,204-689-0,124-20-9,4-azaoctamethylenediamine,"N-(3-aminopropyl)butane-1,4-diamine",NCCCCNCCCN,NCCCCNCCCN,"InChI=1/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",C7H19N3,,,,,,ATHGHQPFGPMSJY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.267,204-692-7,124-25-4,Tetradecanal,myristaldehyde,CCCCCCCCCCCCCC=O,CCCCCCCCCCCCCC=O,"InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3",C14H28O,,,,,,UHUFTBALEZWWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.271,204-696-9,124-38-9,Carbon dioxide,dioxomethane,O=C=O,O=C=O,InChI=1/CO2/c2-1-3,CO2,,,,,,CURLTUGMZLYLDI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.281,204-708-2,124-65-2,Sodium dimethylarsinate,sodium dimethylarsinate,[Na+].C[As](=O)(C)[O-],[Na+].C[As](=O)(C)[O-],"InChI=1/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1/p-1",C2H7AsO2.Na,,,,,,IHQKEDIOMGYHEB-UHFFFAOYSA-M,,,,,,,,,,,
100.004.292,204-720-8,124-98-1,Cevine,"4,9-epoxycevane-3,4,12,14,16,17,20-heptol",C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@]4(O)C[C@]56O[C@]7(O)[C@H](O)CC[C@@]5(C)[C@@H]7CC[C@H]6[C@]4(O)C[C@H](O)[C@]3(O)[C@]2(C)O,C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@]4(O)C[C@]56O[C@]7(O)[C@H](O)CC[C@@]5(C)[C@@H]7CC[C@H]6[C@]4(O)C[C@H](O)[C@]3(O)[C@]2(C)O,"InChI=1/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3",C27H43NO8,,,,,,MZHXYVMEVBEFAL-CXZGUCMRSA-N,,,,,,,,,,,
100.004.304,204-733-9,125-29-1,Hydrocodone,"3-methoxy-17-methyl-4,5-epoxymorphinan-6-one",COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3",C18H21NO3,,,,,,LLPOLZWFYMWNKH-CMKMFDCUSA-N,,,,,,,,,,,
100.004.308,204-738-6,125-40-6,Secbutabarbital,"5-sec-butyl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC(C)C1(CC)C(=O)NC(=O)NC1=O,CCC(C)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)",C10H16N2O3,,,,,,ZRIHAIZYIMGOAB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.310,204-740-7,125-46-2,"2,6-diacetyl-1,2,3,9b-tetrahydro-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione","2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione",CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,"InChI=1/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3",C18H16O7,,,,,,CUCUKLJLRRAKFN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.316,204-747-5,125-65-5,Pleuromulin,"5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl glycolate",CC1CCC23CCC(=O)C2C1(C)C(CC(C)(C=C)C(O)C3C)OC(=O)CO,CC1CCC23CCC(=O)C2C1(C)C(CC(C)(C=C)C(O)C3C)OC(=O)CO,"InChI=1/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3",C22H34O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5614,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.316,ZRZNJUXESFHSIO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.318,204-749-6,125-67-7,"Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, monopotassium salt, (1a,2ß,4aa,4bß,10ß)-","potassium 2,7-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate",[K+].C[C@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)[O-],[K+].C[C@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)[O-],"InChI=1/C19H22O6.K/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22;/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22);/q;+1/p-1",C19H22O6.K,,,,,,BGJIAUDTIACQSC-GLDAWBHVSA-M,,,,,,,,,,,
100.004.320,204-751-7,125-70-2,Levomethorphan,3-methoxy-17-methylmorphinan,COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3C)c2c1,COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3C)c2c1,"InChI=1/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3",C18H25NO,,,,,,MKXZASYAUGDDCJ-CGTJXYLNSA-N,,,,,,,,,,,
100.004.325,204-756-4,125-84-8,Aminoglutethimide,"3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione",CCC1(CCC(=O)NC1=O)c2ccc(N)cc2,CCC1(CCC(=O)NC1=O)c2ccc(N)cc2,"InChI=1/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)",C13H16N2O2,,,,,,ROBVIMPUHSLWNV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.879,205-366-7,139-56-0,Salazosulfamide,2-hydroxy-5-[(4-sulfamoylphenyl)diazenyl]benzoic acid,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)S(N)(=O)=O,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)S(N)(=O)=O,"InChI=1/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)",C13H11N3O5S,,,,,,NBSRUZQXRUNPNY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.882,205-369-3,139-61-7,4-cyclohexyloxybenzoic acid,4-(cyclohexyloxy)benzoic acid,OC(=O)c1ccc(OC2CCCCC2)cc1,OC(=O)c1ccc(OC2CCCCC2)cc1,"InChI=1/C13H16O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,14,15)",C13H16O3,,,,,,OTPHEAKUEAICPM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.886,205-374-0,139-76-4,"N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide","2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide",COc1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)cc1OC,COc1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)cc1OC,"InChI=1/C20H25NO5/c1-23-16-7-5-14(11-18(16)25-3)9-10-21-20(22)13-15-6-8-17(24-2)19(12-15)26-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,22)",C20H25NO5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18009,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.886,KDIKNBJFJOYFNY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.890,205-378-2,139-86-6,3-(2-thienyl)alanine,3-(2-thienyl)alanine,NC(Cc1cccs1)C(=O)O,NC(Cc1cccs1)C(=O)O,"InChI=1/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)",C7H9NO2S,,,,,,WTOFYLAWDLQMBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.897,205-386-6,139-93-5,"6,6'-dihydroxy-3,3'-diarsene-1,2-diyldianilinium dichloride","3,3'-diarsene-1,2-diylbis(6-hydroxyanilinium) dichloride",[Cl-].[Cl-].[NH3+]c2cc([As]=[As]c1ccc(O)c([NH3+])c1)ccc2O,[Cl-].[Cl-].[NH3+]c2cc([As]=[As]c1ccc(O)c([NH3+])c1)ccc2O,"InChI=1/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H",C12H12As2N2O2.2ClH,,,,,,VLAXZGHHBIJLAD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.899,205-388-7,139-96-8,Tris(2-hydroxyethyl)ammonium dodecylsulfate,"dodecyl hydrogen sulfate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,"InChI=1/C12H26O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H,13,14,15);8-10H,1-6H2",C12H26O4S.C6H15NO3,,,,,,JZKFHQMONDVVNF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.901,205-390-8,140-00-1,Sodium 1-propyl 10-(sulphooxy)octadecanoate,-,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OCCC)OS(=O)(=O)O,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OCCC)OS(=O)(=O)O,"InChI=1/C21H42O6S.Na/c1-3-5-6-7-10-13-16-20(27-28(23,24)25)17-14-11-8-9-12-15-18-21(22)26-19-4-2;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1",C21H42O6S.Na,,,,,,CCLRUAXJCKJXAL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.914,205-404-2,140-24-9,Dibenzyl sebacate,dibenzyl sebacate,O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc2ccccc2,O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc2ccccc2,"InChI=1/C24H30O4/c25-23(27-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)28-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2",C24H30O4,,,,,,DVLXEVMGHXWBOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.916,205-406-3,140-26-1,Phenethyl isovalerate,2-phenylethyl 3-methylbutanoate,CC(C)CC(=O)OCCc1ccccc1,CC(C)CC(=O)OCCc1ccccc1,"InChI=1/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",C13H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17294,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.916,JIMGVOCOYZFDKB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.917,205-407-9,140-27-2,Cinnamyl isovalerate,3-phenylprop-2-en-1-yl 3-methylbutanoate,CC(C)CC(=O)OC\\C=C\\c1ccccc1,CC(C)CC(=O)OC\C=C\c1ccccc1,"InChI=1/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3",C14H18O2,,,,,,FOCMOGKCPPTERB-RMKNXTFCSA-N,,,,,,,,,,,
100.004.919,205-410-5,140-29-4,Phenylacetonitrile,phenylacetonitrile,N#CCc1ccccc1,N#CCc1ccccc1,"InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2",C8H7N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10522,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.919,SUSQOBVLVYHIEX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.920,205-411-0,140-31-8,2-piperazin-1-ylethylamine,2-piperazin-1-ylethanamine,NCCN1CCNCC1,NCCN1CCNCC1,"InChI=1/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2",C6H15N3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16054,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.920,IMUDHTPIFIBORV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.923,205-414-7,140-40-9,Aminitrozole,"N-(5-nitro-1,3-thiazol-2-yl)acetamide",CC(=O)Nc1ncc(s1)[N+](=O)[O-],CC(=O)Nc1ncc(s1)[N+](=O)[O-],"InChI=1/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)",C5H5N3O3S,,,,,,UJRRDDHEMZLWFI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.927,205-418-9,140-53-4,4-chlorophenylacetonitrile,(4-chlorophenyl)acetonitrile,Clc1ccc(CC#N)cc1,Clc1ccc(CC#N)cc1,"InChI=1/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2",C8H6ClN,,,,,,IVYMIRMKXZAHRV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.864,213-050-5,919-31-3,3-(triethoxysilyl)propiononitrile,3-(triethoxysilyl)propanenitrile,CCO[Si](CCC#N)(OCC)OCC,CCO[Si](CCC#N)(OCC)OCC,"InChI=1/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3",C9H19NO3Si,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10258,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.864,GBQYMXVQHATSCC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.865,213-051-0,919-44-8,Dimethyl (Z)-1-methyl-3-(methylamino)-3-oxoprop-1-enyl phosphate,dimethyl 1-methyl-3-(methylamino)-3-oxoprop-1-en-1-yl phosphate,CNC(=O)\\C=C(\\C)/OP(=O)(OC)OC,CNC(=O)\C=C(\C)/OP(=O)(OC)OC,"InChI=1/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)",C7H14NO5P,,,,,,KRTSDMXIXPKRQR-WAYWQWQTSA-N,,,,,,,,,,,
100.011.866,213-052-6,919-86-8,Demeton-S-methyl,"S-[2-(ethylsulfanyl)ethyl] O,O-dimethyl thiophosphate",CCSCCSP(=O)(OC)OC,CCSCCSP(=O)(OC)OC,"InChI=1/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3",C6H15O3PS2,,,,,,WEBQKRLKWNIYKK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.872,213-058-9,920-46-7,Methacryloyl chloride,2-methylacryloyl chloride,CC(=C)C(=O)Cl,CC(=C)C(=O)Cl,"InChI=1/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3",C4H5ClO,,,,,,VHRYZQNGTZXDNX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.787,214-064-4,1076-59-1,"4,5-dihydro-3-phenylisoxazol-5-one",3-phenylisoxazol-5(4H)-one,O=C1CC(=NO1)c2ccccc2,O=C1CC(=NO1)c2ccccc2,"InChI=1/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2",C9H7NO2,,,,,,IHKNLPPRTQQACK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.788,214-066-5,1076-74-0,5-methoxy-2-methylindole,5-methoxy-2-methyl-1H-indole,COc1ccc2[nH]c(C)cc2c1,COc1ccc2[nH]c(C)cc2c1,"InChI=1/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3",C10H11NO,,,,,,VSWGLJOQFUMFOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.791,214-069-1,1076-98-8,"1,4-dithioterephthalic acid","benzene-1,4-dicarbothioic S-acid",SC(=O)c1ccc(cc1)C(=O)S,SC(=O)c1ccc(cc1)C(=O)S,"InChI=1/C8H6O2S2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,(H,9,11)(H,10,12)",C8H6O2S2,,,,,,ZMOOAVPSGXARRF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.792,214-070-7,1077-16-3,Hexylbenzene,hexylbenzene,CCCCCCc1ccccc1,CCCCCCc1ccccc1,"InChI=1/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3",C12H18,,,,,,LTEQMZWBSYACLV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.794,214-072-8,1077-36-7,"Pyridine-2,6-diethanol","2,2'-pyridine-2,6-diyldiethanol",OCCc1cccc(CCO)n1,OCCc1cccc(CCO)n1,"InChI=1/C9H13NO2/c11-6-4-8-2-1-3-9(10-8)5-7-12/h1-3,11-12H,4-7H2",C9H13NO2,,,,,,VSZWBJJFJGROCO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.795,214-073-3,1077-56-1,N-ethyltoluene-2-sulphonamide,N-ethyl-2-methylbenzenesulfonamide,CCNS(=O)(=O)c1ccccc1C,CCNS(=O)(=O)c1ccccc1C,"InChI=1/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3",C9H13NO2S,,,,,,NATWUQFQFMZVMT-UHFFFAOYSA-N,Positive,SM881601,[M+H]+,HCD35,155.0161:91.0542:119.0604,CASMI_2016,,,,,
100.012.799,214-078-0,1078-19-9,"6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one","6-methoxy-3,4-dihydronaphthalen-1(2H)-one",COc1ccc2C(=O)CCCc2c1,COc1ccc2C(=O)CCCc2c1,"InChI=1/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3",C11H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15925,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.799,MNALUTYMBUBKNX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.801,214-080-1,1078-28-0,6-methoxy-2-methylquinoline,6-methoxy-2-methylquinoline,COc1ccc2nc(C)ccc2c1,COc1ccc2nc(C)ccc2c1,"InChI=1/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2H3",C11H11NO,,,,,,NAGJQQFMJKMXJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.808,214-088-5,1079-01-2,"(1S)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate","(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate",CC(=O)OCC1=CCC2CC1C2(C)C,CC(=O)OCC1=CCC2CC1C2(C)C,"InChI=1/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3",C12H18O2,,,,,,BKATZVAUANSCKN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.810,214-090-6,1079-17-0,"Alpha,alpha',2,3,5,6-hexachloro-4-xylene","1,2,4,5-tetrachloro-3,6-bis(chloromethyl)benzene",ClCc1c(Cl)c(Cl)c(CCl)c(Cl)c1Cl,ClCc1c(Cl)c(Cl)c(CCl)c(Cl)c1Cl,InChI=1/C8H4Cl6/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2,C8H4Cl6,,,,,,IYGDLOMSJZQSGY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.811,214-091-1,1079-21-6,"Biphenyl-2,5-diol","biphenyl-2,5-diol",Oc1ccc(O)c(c1)c2ccccc2,Oc1ccc(O)c(c1)c2ccccc2,"InChI=1/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H",C12H10O2,,,,,,XCZKKZXWDBOGPA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.813,214-093-2,1079-66-9,Chlorodiphenylphosphine,diphenylphosphinous chloride,ClP(c1ccccc1)c2ccccc2,ClP(c1ccccc1)c2ccccc2,InChI=1/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C12H10ClP,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12033,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.813,XGRJZXREYAXTGV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.815,214-095-3,1080-06-4,Methyl L-tyrosinate,methyl L-tyrosinate,COC(=O)[C@@H](N)Cc1ccc(O)cc1,COC(=O)[C@@H](N)Cc1ccc(O)cc1,"InChI=1/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3",C10H13NO3,,,,,,MWZPENIJLUWBSY-VIFPVBQESA-N,,,,,,,,,,,
100.012.820,214-101-4,1081-75-0,"1,3-diphenylpropane","1,1'-propane-1,3-diyldibenzene",C(Cc1ccccc1)Cc2ccccc2,C(Cc1ccccc1)Cc2ccccc2,"InChI=1/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2",C15H16,,,,,,VEAFKIYNHVBNIP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.873,205-359-9,139-40-2,Propazine,"6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine",CC(C)Nc1nc(Cl)nc(NC(C)C)n1,CC(C)Nc1nc(Cl)nc(NC(C)C)n1,"InChI=1/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)",C9H16ClN5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10793,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.873,WJNRPILHGGKWCK-UHFFFAOYSA-N,Positive,EA274101|EA274102|EA274103|EA274104|EA274105|EA274106|EA274107|EA274108|EA274109|EA274110|EA274111|EA274112|EA274113|EA274114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,188.0699:146.0228:152.1184|230.1167|230.117:188.0702:146.0232|188.0699:230.1165:146.0228|146.0229:188.0701:104.0011|146.0228:104.001:79.0058|146.0229:104.0012:79.0059|230.1168:188.0702:146.0225|230.1168:188.0699:146.0226|188.0699:230.1168:146.0229|146.0228:188.0698:104.001|146.0228:104.001:79.0058|146.0229:104.0011:79.0058|188.0699:146.0229:152.1183,Eawag,,,,,
100.004.874,205-360-4,139-41-3,"Sodium N,N-bis(2-hydroxyethyl)glycinate",sodium [bis(2-hydroxyethyl)amino]acetate,[Na+].OCCN(CCO)CC(=O)[O-],[Na+].OCCN(CCO)CC(=O)[O-],"InChI=1/C6H13NO4.Na/c8-3-1-7(2-4-9)5-6(10)11;/h8-9H,1-5H2,(H,10,11);/q;+1/p-1",C6H13NO4.Na,,,,,,MFBDBXAVPLFMNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.004.875,205-362-5,139-42-4,Tris[oxalate(2-)]dicerium,dicaesium oxalate,[Cs]OC(=O)C(=O)O[Cs],[Cs]OC(=O)C(=O)O[Cs],"InChI=1/C2H2O4.2Cs/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",C6Ce2O12,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10484,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.875,HEQUOWMMDQTGCX-UHFFFAOYSA-L,,,,,,,,,,,
100.004.876,205-363-0,139-43-5,"1,2,3-propanetriyl tris[12-(acetoxy)octadecanoate]","propane-1,2,3-triyl tris(12-acetoxyoctadecanoate)",CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C)OC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C)OC(=O)C,CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C)OC(=O)CCCCCCCCCCC(CCCCCC)OC(=O)C)OC(=O)C,"InChI=1/C63H116O12/c1-7-10-13-34-43-57(72-54(4)64)46-37-28-22-16-19-25-31-40-49-61(67)70-52-60(75-63(69)51-42-33-27-21-18-24-30-39-48-59(74-56(6)66)45-36-15-12-9-3)53-71-62(68)50-41-32-26-20-17-23-29-38-47-58(73-55(5)65)44-35-14-11-8-2/h57-60H,7-53H2,1-6H3",C63H116O12,,,,,,FNOXLRARSOMOQK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.877,205-364-6,139-44-6,"1,2,3-propanetriyl tris(12-hydroxyoctadecanoate)","propane-1,2,3-triyl tris(12-hydroxyoctadecanoate)",CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3",C57H110O9,,,,,,WCOXQTXVACYMLM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.885,205-373-5,139-70-8,"3,7-dimethyl-6-octenyl phenylacetate","3,7-dimethyloct-6-en-1-yl phenylacetate",CC(CCOC(=O)Cc1ccccc1)CCC=C(C)C,CC(CCOC(=O)Cc1ccccc1)CCC=C(C)C,"InChI=1/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3",C18H26O2,,,,,,CVJBFMVLVJZZMM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.896,205-385-0,139-92-4,N-(2-hydroxyethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]glycine,N-(2-hydroxyethyl)-N-[2-(stearoylamino)ethyl]glycine,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O,"InChI=1/C24H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30/h27H,2-22H2,1H3,(H,25,28)(H,29,30)",C24H48N2O4,,,,,,LNOVYKOGIVPBAI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.905,205-395-5,140-05-6,2-methoxyethyl (R)-12-(acetoxy)oleate,2-methoxyethyl 12-acetoxyoctadec-9-enoate,CCCCCC[C@H](C\\C=C/CCCCCCCC(=O)OCCOC)OC(=O)C,CCCCCC[C@H](C\C=C/CCCCCCCC(=O)OCCOC)OC(=O)C,"InChI=1/C23H42O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h11,14,22H,4-10,12-13,15-20H2,1-3H3",C23H42O5,,,,,,BJJRVZBBFAXWGR-QOYCNBSOSA-N,,,,,,,,,,,
100.004.909,205-399-7,140-11-4,Benzyl acetate,benzyl acetate,CC(=O)OCc1ccccc1,CC(=O)OCc1ccccc1,"InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3",C9H10O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14570,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.909,QUKGYYKBILRGFE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.913,205-403-7,140-22-7,"1,5-diphenylcarbonohydrazide","N'',N'''-diphenylcarbonohydrazide",O=C(NNc1ccccc1)NNc2ccccc2,O=C(NNc1ccccc1)NNc2ccccc2,"InChI=1/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)",C13H14N4O,,,,,,KSPIHGBHKVISFI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.918,205-408-4,140-28-3,"N,N'-dibenzylethylenediamine","N,N'-dibenzylethane-1,2-diamine",C(CNCc1ccccc1)NCc2ccccc2,C(CNCc1ccccc1)NCc2ccccc2,"InChI=1/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2",C16H20N2,,,,,,JUHORIMYRDESRB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.921,205-412-6,140-38-5,(4-chlorophenyl)urea,1-(4-chlorophenyl)urea,NC(=O)Nc1ccc(Cl)cc1,NC(=O)Nc1ccc(Cl)cc1,"InChI=1/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)",C7H7ClN2O,,,,,,RECCURWJDVZHIH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.925,205-416-8,140-49-8,N-[4-(chloroacetyl)phenyl]acetamide,N-[4-(chloroacetyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)C(=O)CCl,CC(=O)Nc1ccc(cc1)C(=O)CCl,"InChI=1/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)",C10H10ClNO2,,,,,,VMMDOCYDNRLESP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.926,205-417-3,140-50-1,"N,N'-(p-phenylene)di(acetamide)","N,N'-1,4-phenylenediacetamide",CC(=O)Nc1ccc(NC(=O)C)cc1,CC(=O)Nc1ccc(NC(=O)C)cc1,"InChI=1/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)",C10H12N2O2,,,,,,KVEDKKLZCJBVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.928,205-419-4,140-56-7,Fenaminosulf,sodium [4-(dimethylamino)phenyl]diazenesulfonate,[Na+].CN(C)c1ccc(N=NS([O-])(=O)=O)cc1,[Na+].CN(C)c1ccc(N=NS([O-])(=O)=O)cc1,"InChI=1/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1",C8H11N3O3S.Na,,,,,,IWDQPCIQCXRBQP-UHFFFAOYSA-M,,,,,,,,,,,
100.004.335,204-767-4,126-07-8,Griseofulvin,"7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione",COC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O,COC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O,"InChI=1/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3",C17H17ClO6,,,,,,DDUHZTYCFQRHIY-RBHXEPJQSA-N,Positive/Negative,mzcloud:1176,[M+H]+,HCD_Averaged,66.04640:69.03348:72.98395:95.04914:122.0368:128.9738:165.05462:171.99217:215.0106:285.05242,HighChem,mzcloud:1176,[M-H]-,HCD_Averaged,84.04241:122.0373:137.06081:319.0379,HighChem
100.004.337,204-770-0,126-12-5,Ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate dihydrochloride,ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate dihydrochloride,Cl.Cl.CCOC(=O)C1(CCN(CCc2ccc(N)cc2)CC1)c3ccccc3,Cl.Cl.CCOC(=O)C1(CCN(CCc2ccc(N)cc2)CC1)c3ccccc3,"InChI=1/C22H28N2O2.2ClH/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18;;/h3-11H,2,12-17,23H2,1H3;2*1H",C22H28N2O2.2ClH,,,,,,ZYTHLJLPPSSDIP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.338,204-771-6,126-13-6,Sucrose di(acetate) hexaisobutyrate,"6-O-acetyl-1,3,4-tri-O-isobutyryl-beta-D-fructofuranosyl 6-O-acetyl-2,3,4-tri-O-isobutyryl-alpha-D-glucopyranoside",CC(C)C(=O)O[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)O[C@]2(COC(=O)C(C)C)O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(C)C,CC(C)C(=O)O[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)O[C@]2(COC(=O)C(C)C)O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(C)C,"InChI=1/C40H62O19/c1-18(2)33(43)51-17-40(32(57-38(48)23(11)12)29(54-35(45)20(5)6)27(58-40)16-50-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3",C40H62O19,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5600,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.338,ZNEBZIJCDDCNRC-SWTLDUCYSA-N,,,,,,,,,,,
100.004.339,204-772-1,126-14-7,Sucrose octaacetate,"1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranoside",CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(=O)C)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(=O)C)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3",C28H38O19,,,,,,ZIJKGAXBCRWEOL-SAXBRCJISA-N,,,,,,,,,,,
100.004.343,204-776-3,126-19-2,(25S)-5ß-spirostan-3ß-ol,spirostan-3-ol,C[C@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,C[C@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,"InChI=1/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3",C27H44O3,,,,,,GMBQZIIUCVWOCD-WWASVFFGSA-N,,,,,,,,,,,
100.004.351,204-785-2,126-39-6,"2-ethyl-2-methyl-1,3-dioxolane","2-ethyl-2-methyl-1,3-dioxolane",CCC1(C)OCCO1,CCC1(C)OCCO1,"InChI=1/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3",C6H12O2,,,,,,UPZFLZYXYGBAPL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.353,204-787-3,126-50-1,4-acetyl-4-(2-cyanoethyl)heptanedinitrile,4-acetyl-4-(2-cyanoethyl)heptanedinitrile,CC(=O)C(CCC#N)(CCC#N)CCC#N,CC(=O)C(CCC#N)(CCC#N)CCC#N,"InChI=1/C12H15N3O/c1-11(16)12(5-2-8-13,6-3-9-14)7-4-10-15/h2-7H2,1H3",C12H15N3O,,,,,,JEQZAEPYFGSAIF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.365,204-800-2,126-73-8,Tributyl phosphate,tributyl phosphate,CCCCOP(=O)(OCCCC)OCCCC,CCCCOP(=O)(OCCCC)OCCCC,"InChI=1/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",C12H27O4P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13548,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.365,STCOOQWBFONSKY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.367,204-802-3,126-76-1,Dioxybis(1-methylpropylidene) hydroperoxide,di-sec-butylhexaoxidane,CCC(C)OOOOOOC(C)CC,CCC(C)OOOOOOC(C)CC,"InChI=1/C8H18O6/c1-5-7(3)9-11-13-14-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3",C8H18O6,,,,,,NSYFCBQBOGSOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.371,204-807-0,126-83-0,Sodium 3-chloro-2-hydroxypropanesulphonate,sodium 3-chloro-2-hydroxypropane-1-sulfonate,[Na+].ClCC(O)CS([O-])(=O)=O,[Na+].ClCC(O)CS([O-])(=O)=O,"InChI=1/C3H7ClO4S.Na/c4-1-3(5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1",C3H7ClO4S.Na,,,,,,TZLNJNUWVOGZJU-UHFFFAOYSA-M,,,,,,,,,,,
100.004.374,204-810-7,126-90-9,"(S)-3,7-dimethyl-1,6-octadien-3-ol","3,7-dimethylocta-1,6-dien-3-ol",CC(=CCC[C@](C)(O)C=C)C,CC(=CCC[C@](C)(O)C=C)C,"InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C10H18O,,,,,,CDOSHBSSFJOMGT-SNVBAGLBSA-N,,,,,,,,,,,
100.003.502,203-851-8,111-26-2,Hexylamine,hexan-1-amine,CCCCCCN,CCCCCCN,"InChI=1/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3",C6H15N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18656,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.502,BMVXCPBXGZKUPN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.513,203-863-3,111-37-5,Ethyl(2-(methylamino)ethyl)amine,"N-ethyl-N'-methylethane-1,2-diamine",CCNCCNC,CCNCCNC,"InChI=1/C5H14N2/c1-3-7-5-4-6-2/h6-7H,3-5H2,1-2H3",C5H14N2,,,,,,MXJYVLYENVWKQX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.517,203-868-0,111-42-2,"2,2'-iminodiethanol","2,2'-iminodiethanol",OCCNCCO,OCCNCCO,"InChI=1/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2",C4H11NO2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15770,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.517,ZBCBWPMODOFKDW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.519,203-870-1,111-44-4,Bis(2-chloroethyl) ether,1-chloro-2-(2-chloroethoxy)ethane,ClCCOCCCl,ClCCOCCCl,InChI=1/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2,C4H8Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13909,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.519,ZNSMNVMLTJELDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.523,203-874-3,111-48-8,Thiodiglycol,"2,2'-sulfanediyldiethanol",OCCSCCO,OCCSCCO,"InChI=1/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2",C4H10O2S,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11663,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.523,YODZTKMDCQEPHD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.929,205-421-5,140-59-0,Stilbamidine isetionate,"4,4'-ethene-1,2-diyldibenzenecarboximidamide",NC(=N)c1ccc(C=Cc2ccc(cc2)C(=N)N)cc1,NC(=N)c1ccc(C=Cc2ccc(cc2)C(=N)N)cc1,"InChI=1/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)",C16H16N4.2C2H6O4S,,,,,,MMURVNDSFNJHAM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.932,205-424-1,140-64-7,Pentamidine isetionate,"2-hydroxyethanesulfonic acid - 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide (2:1)",NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O,NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O,"InChI=1/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)",C19H24N4O2.2C2H6O4S,,,,,,YBVNFKZSMZGRAD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.941,205-434-6,140-79-4,"1,4-dinitrosopiperazine","1,4-dinitrosopiperazine",O=NN1CCN(CC1)N=O,O=NN1CCN(CC1)N=O,InChI=1/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2,C4H8N4O2,,,,,,WNSYEWGYAFFSSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.944,205-437-2,140-87-4,Cyacetacide,2-cyanoacetohydrazide,NNC(=O)CC#N,NNC(=O)CC#N,"InChI=1/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)",C3H5N3O,,,,,,HPHBOJANXDKUQD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.958,205-452-4,141-06-0,Propyl valerate,propyl valerate,CCCCC(=O)OCCC,CCCCC(=O)OCCC,"InChI=1/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3",C8H16O2,,,,,,ROJKPKOYARNFNB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.967,205-462-9,141-15-1,Rhodinyl butyrate,"3,7-dimethyloct-7-en-1-yl butyrate",CCCC(=O)OCCC(C)CCCC(=C)C,CCCC(=O)OCCC(C)CCCC(=C)C,"InChI=1/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h13H,2,5-11H2,1,3-4H3",C14H26O2,,,,,,PYGYQOOIXMJQOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.975,205-471-8,141-23-1,Methyl 12-hydroxyoctadecanoate,methyl 12-hydroxyoctadecanoate,CCCCCCC(O)CCCCCCCCCCC(=O)OC,CCCCCCC(O)CCCCCCCCCCC(=O)OC,"InChI=1/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3",C19H38O3,,,,,,RVWOWEQKPMPWMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.976,205-472-3,141-24-2,Methyl ricinoleate,methyl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OC,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC,"InChI=1/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3",C19H36O3,,,,,,XKGDWZQXVZSXAO-ADYSOMBNSA-N,,,,,,,,,,,
100.004.983,205-480-7,141-32-2,Butyl acrylate,butyl acrylate,CCCCOC(=O)C=C,CCCCOC(=O)C=C,"InChI=1/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3",C7H12O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15779,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.983,CQEYYJKEWSMYFG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.990,205-488-0,141-53-7,Sodium formate,sodium formate,[Na+].[O-]C=O,[Na+].[O-]C=O,"InChI=1/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",CH2O2.Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14849,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.990,HLBBKKJFGFRGMU-UHFFFAOYSA-M,,,,,,,,,,,
100.004.992,205-490-1,141-59-3,"2,4,4-trimethylpentane-2-thiol","2,4,4-trimethylpentane-2-thiol",CC(C)(C)CC(C)(C)S,CC(C)(C)CC(C)(C)S,"InChI=1/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3",C8H18S,,,,,,QZLAEIZEPJAELS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.993,205-491-7,141-62-8,Decamethyltetrasiloxane,decamethyltetrasiloxane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3",C10H30O3Si4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5665,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.993,YFCGDEUVHLPRCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.875,206-462-1,345-78-8,Pseudoephedrine hydrochloride,2-(methylamino)-1-phenylpropan-1-ol hydrochloride,Cl.CN[C@@H](C)[C@@H](O)c1ccccc1,Cl.CN[C@@H](C)[C@@H](O)c1ccccc1,"InChI=1/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H",C10H15NO.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12556,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.875,BALXUFOVQVENIU-KXNXZCPBSA-N,,,,,,,,,,,
100.005.879,206-466-3,345-92-6,Bis(4-fluorophenyl) ketone,bis(4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)c2ccc(F)cc2,Fc1ccc(cc1)C(=O)c2ccc(F)cc2,InChI=1/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,C13H8F2O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5154,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.879,LSQARZALBDFYQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.882,206-470-5,346-44-1,"a,a,a-trifluoro-3-nitro-4-(phenylthio)toluene",2-nitro-1-(phenylsulfanyl)-4-(trifluoromethyl)benzene,[O-][N+](=O)c1cc(ccc1Sc2ccccc2)C(F)(F)F,[O-][N+](=O)c1cc(ccc1Sc2ccccc2)C(F)(F)F,"InChI=1/C13H8F3NO2S/c14-13(15,16)9-6-7-12(11(8-9)17(18)19)20-10-4-2-1-3-5-10/h1-8H",C13H8F3NO2S,,,,,,UBCNQWMQLBEUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.884,206-472-6,347-46-6,4-(diethylamino)benzenediazonium tetrafluoroborate,4-(diethylamino)benzenediazonium tetrafluoroborate,CCN(CC)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,CCN(CC)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,"InChI=1/C10H14N3.BF4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;2-1(3,4)5/h5-8H,3-4H2,1-2H3;/q+1;-1",C10H14N3.BF4,,,,,,USBTWRKXQLWQIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.895,206-484-1,349-10-0,DL-2-(3-trifluoromethyl)phenylglycollic acid,hydroxy[3-(trifluoromethyl)phenyl]acetic acid,OC(C(=O)O)c1cccc(c1)C(F)(F)F,OC(C(=O)O)c1cccc(c1)C(F)(F)F,"InChI=1/C9H7F3O3/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)",C9H7F3O3,,,,,,WECBNRQPNXNRSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.821,214-103-5,1081-77-2,Nonylbenzene,nonylbenzene,CCCCCCCCCc1ccccc1,CCCCCCCCCc1ccccc1,"InChI=1/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3",C15H24,,,,,,LIXVMPBOGDCSRM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.829,214-111-9,1084-64-6,"3,4-dihydro-6-methyl-2H-1-benzothiopyran-7-sulphonyl chloride 1,1-dioxide","6-methylthiochromane-7-sulfonyl chloride 1,1-dioxide",Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)Cl,Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)Cl,"InChI=1/C10H11ClO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3",C10H11ClO4S2,,,,,,JSNJMRWCUWQHKF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.833,214-116-6,1085-35-4,"Ammonium O,O-diphenyl dithiophosphate","ammonium O,O-diphenyl dithiophosphate",[NH4+].[S-]P(=S)(Oc1ccccc1)Oc2ccccc2,[NH4+].[S-]P(=S)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C12H11O2PS2.H3N/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h1-10H,(H,16,17);1H3",C12H11O2PS2.H3N,,,,,,VWEOUWFQTQSZTG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.834,214-117-1,1085-84-3,3-benzyl-3-azaspiro[5.5]undecane hydrochloride,3-benzyl-3-azaspiro[5.5]undecane hydrochloride,Cl.C(N1CCC2(CCCCC2)CC1)c3ccccc3,Cl.C(N1CCC2(CCCCC2)CC1)c3ccccc3,"InChI=1/C17H25N.ClH/c1-3-7-16(8-4-1)15-18-13-11-17(12-14-18)9-5-2-6-10-17;/h1,3-4,7-8H,2,5-6,9-15H2;1H",C17H25N.ClH,,,,,,CJZHVBQUTWNTNC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.354,210-288-1,611-99-4,"4,4'-dihydroxybenzophenone",bis(4-hydroxyphenyl)methanone,Oc1ccc(cc1)C(=O)c2ccc(O)cc2,Oc1ccc(cc1)C(=O)c2ccc(O)cc2,"InChI=1/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H",C13H10O3,,,,,,RXNYJUSEXLAVNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.366,210-301-0,612-24-8,2-nitrobenzonitrile,2-nitrobenzonitrile,[O-][N+](=O)c1ccccc1C#N,[O-][N+](=O)c1ccccc1C#N,InChI=1/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,C7H4N2O2,,,,,,SWBDKCMOLSUXRH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.373,210-308-9,612-40-8,2-(2-carboxyvinyl)benzoic acid,2-(2-carboxyvinyl)benzoic acid,OC(=O)\\C=C\\c1ccccc1C(=O)O,OC(=O)\C=C\c1ccccc1C(=O)O,"InChI=1/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)",C10H8O4,,,,,,SCWPNMHQRGNQHH-AATRIKPKSA-N,,,,,,,,,,,
100.009.383,210-319-9,612-75-9,"3,3'-dimethylbiphenyl","3,3'-dimethylbiphenyl",Cc1cccc(c1)c2cccc(C)c2,Cc1cccc(c1)c2cccc(C)c2,"InChI=1/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3",C14H14,,,,,,GVEDOIATHPCYGS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.388,210-325-1,612-95-3,6-phenylquinoline,6-phenylquinoline,c1ccc(cc1)c2ccc3ncccc3c2,c1ccc(cc1)c2ccc3ncccc3c2,InChI=1/C15H11N/c1-2-5-12(6-3-1)13-8-9-15-14(11-13)7-4-10-16-15/h1-11H,C15H11N,,,,,,OKLKICXAGRLLGF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.390,210-327-2,613-03-6,"Benzene-1,2,4-triyl triacetate","benzene-1,2,4-triyl triacetate",CC(=O)Oc1ccc(OC(=O)C)c(OC(=O)C)c1,CC(=O)Oc1ccc(OC(=O)C)c(OC(=O)C)c1,"InChI=1/C12H12O6/c1-7(13)16-10-4-5-11(17-8(2)14)12(6-10)18-9(3)15/h4-6H,1-3H3",C12H12O6,,,,,,AESFGSJWSUZRGW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.391,210-328-8,613-06-9,"2,3-dimethylanthracene","2,3-dimethylanthracene",Cc1cc2cc3ccccc3cc2cc1C,Cc1cc2cc3ccccc3cc2cc1C,"InChI=1/C16H14/c1-11-7-15-9-13-5-3-4-6-14(13)10-16(15)8-12(11)2/h3-10H,1-2H3",C16H14,,,,,,OGVRJXPGSVLDRD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.397,210-335-6,613-29-6,"N,N-dibutylaniline","N,N-dibutylaniline",CCCCN(CCCC)c1ccccc1,CCCCN(CCCC)c1ccccc1,"InChI=1/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3",C14H23N,,,,,,FZPXKEPZZOEPGX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.402,210-340-3,613-39-8,"1,4-diphenylpiperazine","1,4-diphenylpiperazine",C1CN(CCN1c2ccccc2)c3ccccc3,C1CN(CCN1c2ccccc2)c3ccccc3,"InChI=1/C16H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-10H,11-14H2",C16H18N2,,,,,,LLZRSOPHIGKISM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.403,210-341-9,613-42-3,"4-(phenylmethyl)-1,1'-biphenyl",4-benzylbiphenyl,C(c1ccccc1)c2ccc(cc2)c3ccccc3,C(c1ccccc1)c2ccc(cc2)c3ccccc3,"InChI=1/C19H16/c1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)18-9-5-2-6-10-18/h1-14H,15H2",C19H16,,,,,,AGPLQTQFIZBOLI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.222,211-243-9,635-91-6,(S)-3-amino-4-(2-naphthylamino)-4-oxobutyric acid,N-2-naphthyl-alpha-asparagine,N[C@@H](CC(=O)O)C(=O)Nc1ccc2ccccc2c1,N[C@@H](CC(=O)O)C(=O)Nc1ccc2ccccc2c1,"InChI=1/C14H14N2O3/c15-12(8-13(17)18)14(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,15H2,(H,16,19)(H,17,18)",C14H14N2O3,,,,,,YRMVHTZHFWHHIU-LBPRGKRZSA-N,,,,,,,,,,,
100.010.227,211-249-1,636-09-9,Diethyl terephthalate,diethyl terephthalate,CCOC(=O)c1ccc(cc1)C(=O)OCC,CCOC(=O)c1ccc(cc1)C(=O)OCC,"InChI=1/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3",C12H14O4,,,,,,ONIHPYYWNBVMID-UHFFFAOYSA-N,,,,,,,,,,,
100.010.232,211-254-9,636-30-6,"2,4,5-trichloroaniline","2,4,5-trichloroaniline",Nc1cc(Cl)c(Cl)cc1Cl,Nc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2",C6H4Cl3N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6949,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.232,GUMCAKKKNKYFEB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.931,205-423-6,140-63-6,Propamidine isetionate,"4,4'-[propane-1,3-diylbis(oxy)]dibenzenecarboximidamide",NC(=N)c1ccc(OCCCOc2ccc(cc2)C(=N)N)cc1,NC(=N)c1ccc(OCCCOc2ccc(cc2)C(=N)N)cc1,"InChI=1/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)",C17H20N4O2.2C2H6O4S,,,,,,WTFXJFJYEJZMFO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.939,205-432-5,140-76-1,2-methyl-5-vinylpyridine,2-methyl-5-vinylpyridine,Cc1ccc(C=C)cn1,Cc1ccc(C=C)cn1,"InChI=1/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3",C8H9N,,,,,,VJOWMORERYNYON-UHFFFAOYSA-N,,,,,,,,,,,
100.004.943,205-436-7,140-82-9,2-[2-(diethylamino)ethoxy]ethanol,2-[2-(diethylamino)ethoxy]ethanol,CCN(CC)CCOCCO,CCN(CC)CCOCCO,"InChI=1/C8H19NO2/c1-3-9(4-2)5-7-11-8-6-10/h10H,3-8H2,1-2H3",C8H19NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16408,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.943,VKBVRNHODPFVHK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.947,205-440-9,140-90-9,Sodium O-ethyl dithiocarbonate,sodium O-ethyl dithiocarbonate,[Na+].CCOC(=S)[S-],[Na+].CCOC(=S)[S-],"InChI=1/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",C3H6OS2.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13120,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.947,RZFBEFUNINJXRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.004.948,205-441-4,140-92-1,Proxan-potassium,O-isopropyl hydrogen dithiocarbonate,CC(C)OC(=S)S,CC(C)OC(=S)S,"InChI=1/C4H8OS2/c1-3(2)5-4(6)7/h3H,1-2H3,(H,6,7)",C4H8OS2.K,,,,,,UOJYYXATTMQQNA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.950,205-444-0,140-95-4,"1,3-bis(hydroxymethyl)urea","1,3-bis(hydroxymethyl)urea",OCNC(=O)NCO,OCNC(=O)NCO,"InChI=1/C3H8N2O3/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8)",C3H8N2O3,,,,,,QUBQYFYWUJJAAK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.952,205-446-1,141-00-4,Cadmium succinate,cadmium succinate,[Cd+2].[O-]C(=O)CCC(=O)[O-],[Cd+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Cd/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Cd,,,,,,RHIAOOMCMLDTKE-UHFFFAOYSA-L,,,,,,,,,,,
100.004.957,205-451-9,141-05-9,Diethyl maleate,diethyl but-2-enedioate,CCOC(=O)\\C=C/C(=O)OCC,CCOC(=O)\C=C/C(=O)OCC,"InChI=1/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3",C8H12O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10052,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.957,IEPRKVQEAMIZSS-WAYWQWQTSA-N,,,,,,,,,,,
100.004.959,205-454-5,141-07-1,"1,3-bis(methoxymethyl)urea","1,3-bis(methoxymethyl)urea",COCNC(=O)NCOC,COCNC(=O)NCOC,"InChI=1/C5H12N2O3/c1-9-3-6-5(8)7-4-10-2/h3-4H2,1-2H3,(H2,6,7,8)",C5H12N2O3,,,,,,XKALZGSIEJZJCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.963,205-458-7,141-11-7,Rhodinyl acetate,"3,7-dimethyloct-7-en-1-yl acetate",CC(CCCC(=C)C)CCOC(=O)C,CC(CCCC(=C)C)CCOC(=O)C,"InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3",C12H22O2,,,,,,WNXJCQNXNOOMDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.964,205-459-2,141-12-8,Neryl acetate,"3,7-dimethylocta-2,6-dien-1-yl acetate",CC(=CCC\\C(=C\\COC(=O)C)\\C)C,CC(=CCC\C(=C\COC(=O)C)\C)C,"InChI=1/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3",C12H20O2,,,,,,HIGQPQRQIQDZMP-DHZHZOJOSA-N,,,,,,,,,,,
100.004.966,205-461-3,141-14-0,Citronellyl propionate,"3,7-dimethyloct-6-en-1-yl propionate",CCC(=O)OCCC(C)CCC=C(C)C,CCC(=O)OCCC(C)CCC=C(C)C,"InChI=1/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3",C13H24O2,,,,,,POPNTVRHTZDEBW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.972,205-468-1,141-20-8,2-(2-hydroxyethoxy)ethyl laurate,2-(2-hydroxyethoxy)ethyl laurate,CCCCCCCCCCCC(=O)OCCOCCO,CCCCCCCCCCCC(=O)OCCOCCO,"InChI=1/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17/h17H,2-15H2,1H3",C16H32O4,,,,,,WGIMXKDCVCTHGW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.977,205-473-9,141-25-3,"3,7-dimethyloct-7-en-1-ol","3,7-dimethyloct-7-en-1-ol",CC(CCO)CCCC(=C)C,CC(CCO)CCCC(=C)C,"InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3",C10H20O,,,,,,JGQFVRIQXUFPAH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.988,205-485-4,141-51-5,Iodo(iodomethyl)mercury,iodo(iodomethyl)mercury,I[Hg]CI,I[Hg]CI,InChI=1/CH2I.Hg.HI/c1-2;;/h1H2;;1H/q;+1;/p-1/rCH2HgI2/c3-1-2-4/h1H2,CH2HgI2,,,,,,GMEOKFPXHQBBPF-UHFFFAOYSA-M,,,,,,,,,,,
100.004.989,205-487-5,141-52-6,Sodium ethanolate,sodium ethanolate,[Na+].CC[O-],[Na+].CC[O-],"InChI=1/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1",C2H6O.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5912,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.989,QDRKDTQENPPHOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.991,205-489-6,141-57-1,Trichloro(propyl)silane,trichloro(propyl)silane,CCC[Si](Cl)(Cl)Cl,CCC[Si](Cl)(Cl)Cl,"InChI=1/C3H7Cl3Si/c1-2-3-7(4,5)6/h2-3H2,1H3",C3H7Cl3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14168,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.991,DOEHJNBEOVLHGL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.997,205-495-9,141-70-8,"2-(2,2-dimethylpropyl)-4,4-dimethylpent-1-ene","2,2,6,6-tetramethyl-4-methyleneheptane",CC(C)(C)CC(=C)CC(C)(C)C,CC(C)(C)CC(=C)CC(C)(C)C,"InChI=1/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h1,8-9H2,2-7H3",C12H24,,,,,,TUFZRYOCZCLYJO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.999,205-498-5,141-75-3,Butyryl chloride,butanoyl chloride,CCCC(=O)Cl,CCCC(=O)Cl,"InChI=1/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3",C4H7ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5853,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.999,DVECBJCOGJRVPX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.525,203-876-4,111-50-2,Adipoyl dichloride,hexanedioyl dichloride,ClC(=O)CCCCC(=O)Cl,ClC(=O)CCCCC(=O)Cl,InChI=1/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,C6H8Cl2O2,,,,,,PWAXUOGZOSVGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.526,203-878-5,111-51-3,"N,N,N',N'-tetramethyltetramethylenediamine","N,N,N',N'-tetramethylbutane-1,4-diamine",CN(C)CCCCN(C)C,CN(C)CCCCN(C)C,"InChI=1/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3",C8H20N2,,,,,,VEAZEPMQWHPHAG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.534,203-886-9,111-60-4,2-hydroxyethyl stearate,2-hydroxyethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCO,CCCCCCCCCCCCCCCCCC(=O)OCCO,"InChI=1/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3",C20H40O3,,,,,,RFVNOJDQRGSOEL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.535,203-887-4,111-61-5,Ethyl stearate,ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCCCCCCCC(=O)OCC,"InChI=1/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3",C20H40O2,,,,,,MVLVMROFTAUDAG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.545,203-898-4,111-71-7,Heptanal,heptanal,CCCCCCC=O,CCCCCCC=O,"InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3",C7H14O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2177,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.545,FXHGMKSSBGDXIY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.546,203-900-3,111-72-8,"N,N'-but-2-enylidenebis(methylamine)","N,N'-dimethylbut-2-ene-1,1-diamine",CC=CC(NC)NC,CC=CC(NC)NC,"InChI=1/C6H14N2/c1-4-5-6(7-2)8-3/h4-8H,1-3H3",C6H14N2,,,,,,NEDRDWRRROTOOA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.549,203-904-5,111-75-1,2-butylaminoethanol,2-(butylamino)ethanol,CCCCNCCO,CCCCNCCO,"InChI=1/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3",C6H15NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5529,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.549,LJDSTRZHPWMDPG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.047,204-451-6,121-17-5,"4-chloro-a,a,a-trifluoro-3-nitrotoluene",1-chloro-2-nitro-4-(trifluoromethyl)benzene,[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,"InChI=1/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H",C7H3ClF3NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6689,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.047,TZGFQIXRVUHDLE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.057,204-462-6,121-29-9,"2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1a[S*(Z)](3ß)-3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate","2-methyl-4-oxo-3-penta-2,4-dien-1-ylcyclopent-2-en-1-yl 3-(3-methoxy-2-methyl-3-oxoprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate",COC(=O)C(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=CC=C)C1(C)C)C,COC(=O)C(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=CC=C)C1(C)C)C,"InChI=1/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3",C22H28O5,,,,,,VJFUPGQZSXIULQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.067,204-473-6,121-47-1,3-aminobenzenesulphonic acid,3-aminobenzenesulfonic acid,Nc1cccc(c1)S(=O)(=O)O,Nc1cccc(c1)S(=O)(=O)O,"InChI=1/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)",C6H7NO3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19037,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.067,ZAJAQTYSTDTMCU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.076,204-483-0,121-58-4,4-(dimethylamino)benzenesulphonic acid,4-(dimethylamino)benzenesulfonic acid,CN(C)c1ccc(cc1)S(=O)(=O)O,CN(C)c1ccc(cc1)S(=O)(=O)O,"InChI=1/C8H11NO3S/c1-9(2)7-3-5-8(6-4-7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12)",C8H11NO3S,,,,,,KZVBBVPCVQEVQK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.084,204-491-4,121-68-6,Dithiobenzoic acid,benzenecarbodithioic acid,SC(=S)c1ccccc1,SC(=S)c1ccccc1,"InChI=1/C7H6S2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",C7H6S2,,,,,,ZGRWZUDBZZBJQB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.087,204-495-6,121-72-2,"N,N-dimethyl-m-toluidine","N,N,3-trimethylaniline",CN(C)c1cccc(C)c1,CN(C)c1cccc(C)c1,"InChI=1/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3",C9H13N,,,,,,CWOMTHDOJCARBY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.098,204-506-4,121-91-5,Isophthalic acid,isophthalic acid,OC(=O)c1cccc(c1)C(=O)O,OC(=O)c1cccc(c1)C(=O)O,"InChI=1/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",C8H6O4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15373,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.098,QQVIHTHCMHWDBS-UHFFFAOYSA-N,,,,,,,,,,,
100.003.918,204-309-3,119-26-6,"2,4-dinitrophenylhydrazine","(2,4-dinitrophenyl)hydrazine",NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2",C6H6N4O4,,,,,,HORQAOAYAYGIBM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.920,204-311-4,119-28-8,8-aminonaphthalene-2-sulphonic acid,8-aminonaphthalene-2-sulfonic acid,Nc1cccc2ccc(cc12)S(=O)(=O)O,Nc1cccc2ccc(cc12)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,QEZZCWMQXHXAFG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.921,204-313-5,119-30-2,5-iodosalicylic acid,2-hydroxy-5-iodobenzoic acid,OC(=O)c1cc(I)ccc1O,OC(=O)c1cc(I)ccc1O,"InChI=1/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)",C7H5IO3,,,,,,SWDNKOFGNPGRPI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.923,204-315-6,119-33-5,2-nitro-p-cresol,4-methyl-2-nitrophenol,Cc1ccc(O)c(c1)[N+](=O)[O-],Cc1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3",C7H7NO3,,,,,,SYDNSSSQVSOXTN-UHFFFAOYSA-N,Negative,,,,,,UA003605,[M]-,CID35,123.0451:136.0403:138.0195,UFZ_Additional_Specs
100.003.925,204-317-7,119-36-8,Methyl salicylate,methyl salicylate,COC(=O)c1ccccc1O,COC(=O)c1ccccc1O,"InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",C8H8O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2227,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.925,OSWPMRLSEDHDFF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.897,206-486-2,349-46-2,D-cystine,D-cystine,N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O,N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O,"InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",C6H12N2O4S2,,,,,,LEVWYRKDKASIDU-QWWZWVQMSA-N,,,,,,,,,,,
100.005.903,206-493-0,349-88-2,4-fluorobenzenesulphonyl chloride,4-fluorobenzenesulfonyl chloride,Fc1ccc(cc1)S(=O)(=O)Cl,Fc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H",C6H4ClFO2S,,,,,,BFXHJFKKRGVUMU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.907,206-497-2,350-12-9,Sulbentine,"3,5-dibenzyl-1,3,5-thiadiazinane-2-thione",S=C1SCN(Cc2ccccc2)CN1Cc3ccccc3,S=C1SCN(Cc2ccccc2)CN1Cc3ccccc3,"InChI=1/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2",C17H18N2S2,,,,,,QFVAWNPSRQWSDU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.909,206-499-3,350-30-1,2-chloro-1-fluoro-4-nitrobenzene,2-chloro-1-fluoro-4-nitrobenzene,[O-][N+](=O)c1ccc(F)c(Cl)c1,[O-][N+](=O)c1ccc(F)c(Cl)c1,InChI=1/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,C6H3ClFNO2,,,,,,DPHCXXYPSYMICK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.922,206-513-8,351-50-8,D-histidine hydrochloride monohydrate,D-histidine hydrochloride hydrate,O.Cl.N[C@H](Cc1c[nH]cn1)C(=O)O,O.Cl.N[C@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2",C6H9N3O2,,,,,,CMXXUDSWGMGYLZ-ZJIMSODOSA-N,,,,,,,,,,,
100.005.926,206-518-5,352-21-6,"D,L-4-amino-3-hydroxybutyric acid",4-amino-3-hydroxybutanoic acid,NCC(O)CC(=O)O,NCC(O)CC(=O)O,"InChI=1/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)",C4H9NO3,,,,,,YQGDEPYYFWUPGO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.929,206-521-1,352-33-0,1-chloro-4-fluorobenzene,1-chloro-4-fluorobenzene,Fc1ccc(Cl)cc1,Fc1ccc(Cl)cc1,InChI=1/C6H4ClF/c7-5-1-3-6(8)4-2-5/h1-4H,C6H4ClF,,,,,,RJCGZNCCVKIBHO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.932,206-524-8,352-70-5,3-fluorotoluene,1-fluoro-3-methylbenzene,Cc1cccc(F)c1,Cc1cccc(F)c1,"InChI=1/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",C7H7F,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6237,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.932,BTQZKHUEUDPRST-UHFFFAOYSA-N,,,,,,,,,,,
100.005.933,206-525-3,352-87-4,"2,2,2-trifluoroethyl methacrylate","2,2,2-trifluoroethyl methacrylate",CC(=C)C(=O)OCC(F)(F)F,CC(=C)C(=O)OCC(F)(F)F,"InChI=1/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3",C6H7F3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18658,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.933,QTKPMCIBUROOGY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.934,206-526-9,352-93-2,Diethyl sulphide,"1,1'-sulfanediyldiethane",CCSCC,CCSCC,"InChI=1/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3",C4H10S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11953,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.934,LJSQFQKUNVCTIA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.940,206-533-7,353-49-1,Carbonyl chloride fluoride,-,[F-].ClC(=O)Cl,[F-].ClC(=O)Cl,InChI=1/CCl2O.FH/c2-1(3)4;/h;1H/p-1,CClFO,,,,,,QLBWPQUBNGIDMY-UHFFFAOYSA-M,,,,,,,,,,,
100.005.945,206-538-4,353-61-7,tert-butyl fluoride,2-fluoro-2-methylpropane,CC(C)(C)F,CC(C)(C)F,"InChI=1/C4H9F/c1-4(2,3)5/h1-3H3",C4H9F,,,,,,GSMZLBOYBDRGBN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.946,206-540-5,353-66-2,Difluorodimethylsilane,difluoro(dimethyl)silane,C[Si](C)(F)F,C[Si](C)(F)F,"InChI=1/C2H6F2Si/c1-5(2,3)4/h1-2H3",C2H6F2Si,,,,,,XRRDNAZMVAXXQP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.954,206-548-9,354-21-2,"1,2,2-trichloro-1,1-difluoroethane","1,2,2-trichloro-1,1-difluoroethane",FC(F)(Cl)C(Cl)Cl,FC(F)(Cl)C(Cl)Cl,"InChI=1/C2HCl3F2/c3-1(4)2(5,6)7/h1H",C2HCl3F2,,,,,,FQAMAOOEZDRHHB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.956,206-551-5,354-24-5,Chlorodifluoroacetyl chloride,chloro(difluoro)acetyl chloride,FC(F)(Cl)C(=O)Cl,FC(F)(Cl)C(=O)Cl,"InChI=1/C2Cl2F2O/c3-1(7)2(4,5)6",C2Cl2F2O,,,,,,AZPWOLJQERBBBM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.957,206-552-0,354-25-6,"1-chloro-1,1,2,2-tetrafluoroethane","1-chloro-1,1,2,2-tetrafluoroethane",FC(F)C(F)(F)Cl,FC(F)C(F)(F)Cl,"InChI=1/C2HClF4/c3-2(6,7)1(4)5/h1H",C2HClF4,,,,,,JQZFYIGAYWLRCC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.958,206-553-6,354-26-7,"1-chloro-1,1,2-trifluoro-2-iodoethane","1-chloro-1,1,2-trifluoro-2-iodoethane",FC(I)C(F)(F)Cl,FC(I)C(F)(F)Cl,"InChI=1/C2HClF3I/c3-2(5,6)1(4)7/h1H",C2HClF3I,,,,,,XONGRFUEHPBOBB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.960,206-555-7,354-28-9,"2-chloro-2,2-difluoroacetamide","2-chloro-2,2-difluoroacetamide",NC(=O)C(F)(F)Cl,NC(=O)C(F)(F)Cl,"InChI=1/C2H2ClF2NO/c3-2(4,5)1(6)7/h(H2,6,7)",C2H2ClF2NO,,,,,,PSAKKOKLSDIKEK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.961,206-556-2,354-32-5,Trifluoroacetyl chloride,trifluoroacetyl chloride,FC(F)(F)C(=O)Cl,FC(F)(F)C(=O)Cl,"InChI=1/C2ClF3O/c3-1(7)2(4,5)6",C2ClF3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10770,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.961,PNQBEPDZQUOCNY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.969,206-565-1,354-61-0,"1,2-dichloro-1,1,2-trifluoro-2-iodoethane","1,2-dichloro-1,1,2-trifluoro-2-iodoethane",FC(F)(Cl)C(F)(Cl)I,FC(F)(Cl)C(F)(Cl)I,"InChI=1/C2Cl2F3I/c3-1(5,6)2(4,7)8",C2Cl2F3I,,,,,,HCUGPHQZDLROAY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.972,206-568-8,354-69-8,"1,1,1,2,2-pentafluoro-3-iodopropane","1,1,1,2,2-pentafluoro-3-iodopropane",FC(F)(F)C(F)(F)CI,FC(F)(F)C(F)(F)CI,"InChI=1/C3H2F5I/c4-2(5,1-9)3(6,7)8/h1H2",C3H2F5I,,,,,,HENALDZJQYAUBN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.235,211-258-0,636-46-4,4-hydroxyisophthalic acid,4-hydroxyisophthalic acid,OC(=O)c1ccc(O)c(c1)C(=O)O,OC(=O)c1ccc(O)c(c1)C(=O)O,"InChI=1/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",C8H6O5,,,,,,BCEQKAQCUWUNML-UHFFFAOYSA-N,,,,,,,,,,,
100.010.239,211-262-2,636-61-3,D-malic acid,malic acid,O[C@H](CC(=O)O)C(=O)O,O[C@H](CC(=O)O)C(=O)O,"InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",C4H6O5,,,,,,BJEPYKJPYRNKOW-UWTATZPHSA-N,,,,,,,,,,,
100.010.242,211-265-9,636-73-7,Pyridine-3-sulphonic acid,pyridine-3-sulfonic acid,OS(=O)(=O)c1cccnc1,OS(=O)(=O)c1cccnc1,"InChI=1/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)",C5H5NO3S,,,,,,DVECLMOWYVDJRM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.247,211-271-1,636-97-5,p-nitrobenzohydrazide,4-nitrobenzohydrazide,NNC(=O)c1ccc(cc1)[N+](=O)[O-],NNC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7N3O3/c8-9-7(11)5-1-3-6(4-2-5)10(12)13/h1-4H,8H2,(H,9,11)",C7H7N3O3,,,,,,FKZXYJYTUSGIQE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.248,211-272-7,636-98-6,1-iodo-4-nitrobenzene,1-iodo-4-nitrobenzene,[O-][N+](=O)c1ccc(I)cc1,[O-][N+](=O)c1ccc(I)cc1,InChI=1/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,C6H4INO2,,,,,,SCCCFNJTCDSLCY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.251,211-275-3,637-03-6,Phenylarsine oxide,oxo(phenyl)arsine,O=[As]c1ccccc1,O=[As]c1ccccc1,InChI=1/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H,C6H5AsO,,,,,,BQVCCPGCDUSGOE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.262,211-287-9,637-50-3,ß-methylstyrene,prop-1-en-1-ylbenzene,C\\C=C\\c1ccccc1,C\C=C\c1ccccc1,"InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3",C9H10,,,,,,QROGIFZRVHSFLM-QHHAFSJGSA-N,,,,,,,,,,,
100.011.001,212-101-9,762-62-9,"4,4-dimethylpent-1-ene","4,4-dimethylpent-1-ene",CC(C)(C)CC=C,CC(C)(C)CC=C,"InChI=1/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3",C7H14,,,,,,KLCNJIQZXOQYTE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.002,212-102-4,762-63-0,"(Z)-4,4-dimethylpent-2-ene","4,4-dimethylpent-2-ene",C\\C=C/C(C)(C)C,C\C=C/C(C)(C)C,"InChI=1/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3",C7H14,,,,,,BIDIHFPLDRSAMB-WAYWQWQTSA-N,,,,,,,,,,,
100.011.007,212-108-7,763-29-1,2-methylpent-1-ene,2-methylpent-1-ene,CCCC(=C)C,CCCC(=C)C,"InChI=1/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3",C6H12,,,,,,WWUVJRULCWHUSA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.014,212-116-0,764-22-7,"[R-(R*,S*)]-2-aminooctadecane-1,3-diol","2-aminooctadecane-1,3-diol",CCCCCCCCCCCCCCCC(O)C(N)CO,CCCCCCCCCCCCCCCC(O)C(N)CO,"InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3",C18H39NO2,,,,,,OTKJDMGTUTTYMP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.017,212-119-7,764-38-5,(Z)-pent-3-en-1-ol,pent-3-en-1-ol,C\\C=C/CCO,C\C=C/CCO,"InChI=1/C5H10O/c1-2-3-4-5-6/h2-3,6H,4-5H2,1H3",C5H10O,,,,,,FSUXYWPILZJGCC-IHWYPQMZSA-N,,,,,,,,,,,
100.011.019,212-121-8,764-41-0,"1,4-dichlorobut-2-ene","1,4-dichlorobut-2-ene",ClCC=CCCl,ClCC=CCCl,"InChI=1/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2",C4H6Cl2,,,,,,FQDIANVAWVHZIR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.022,212-124-4,764-48-7,2-(vinyloxy)ethanol,2-(vinyloxy)ethanol,OCCOC=C,OCCOC=C,"InChI=1/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",C4H8O2,,,,,,VUIWJRYTWUGOOF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.025,212-128-6,764-60-3,Hex-2-yn-1-ol,hex-2-yn-1-ol,CCCC#CCO,CCCC#CCO,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h7H,2-3,6H2,1H3",C6H10O,,,,,,BTDWSZJDLLLTMI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.027,212-130-7,764-71-6,Potassium octanoate,potassium octanoate,[K+].CCCCCCCC(=O)[O-],[K+].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.K/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",C8H16O2.K,,,,,,RLEFZEWKMQQZOA-UHFFFAOYSA-M,,,,,,,,,,,
100.011.033,212-137-5,765-05-9,1-(vinyloxy)decane,1-(vinyloxy)decane,CCCCCCCCCCOC=C,CCCCCCCCCCOC=C,"InChI=1/C12H24O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h4H,2-3,5-12H2,1H3",C12H24O,,,,,,NSOAQRMLVFRWIT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.044,212-149-0,765-48-0,"1,2-dimethylpyrrolidine","1,2-dimethylpyrrolidine",CC1CCCN1C,CC1CCCN1C,"InChI=1/C6H13N/c1-6-4-3-5-7(6)2/h6H,3-5H2,1-2H3",C6H13N,,,,,,PXHHIBMOFPCBJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.050,212-155-3,765-87-7,"Cyclohexane-1,2-dione","cyclohexane-1,2-dione",O=C1CCCCC1=O,O=C1CCCCC1=O,InChI=1/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2,C6H8O2,,,,,,OILAIQUEIWYQPH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.878,206-465-8,345-90-4,"1,1'-(bromomethylene)bis(4-fluorobenzene)","1,1'-(bromomethylene)bis(4-fluorobenzene)",Fc1ccc(cc1)C(Br)c2ccc(F)cc2,Fc1ccc(cc1)C(Br)c2ccc(F)cc2,"InChI=1/C13H9BrF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H",C13H9BrF2,,,,,,HXDAZUSPEXGQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.880,206-467-9,346-06-5,2-(trifluoromethyl)benzylic alcohol,[2-(trifluoromethyl)phenyl]methanol,OCc1ccccc1C(F)(F)F,OCc1ccccc1C(F)(F)F,"InChI=1/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2",C8H7F3O,,,,,,TWQNSHZTQSLJEE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.881,206-468-4,346-18-9,Polythiazide,"6-chloro-2-methyl-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,"InChI=1/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)",C11H13ClF3N3O4S3,,,,,,CYLWJCABXYDINA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.883,206-471-0,346-55-4,4-chloro-7-(trifluoromethyl)quinoline,4-chloro-7-(trifluoromethyl)quinoline,FC(F)(F)c1ccc2c(Cl)ccnc2c1,FC(F)(F)c1ccc2c(Cl)ccnc2c1,"InChI=1/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H",C10H5ClF3N,,,,,,LLRQVSZVVAKRJA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.889,206-477-3,348-52-7,2-fluoroiodobenzene,1-fluoro-2-iodobenzene,Fc1ccccc1I,Fc1ccccc1I,InChI=1/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4FI,,,,,,TYHUGKGZNOULKD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.893,206-482-0,348-66-3,D-ornithine,D-ornithine,NCCC[C@@H](N)C(=O)O,NCCC[C@@H](N)C(=O)O,"InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",C5H12N2O2,,,,,,AHLPHDHHMVZTML-SCSAIBSYSA-N,,,,,,,,,,,
100.005.906,206-496-7,350-03-8,Methyl 3-pyridyl ketone,1-pyridin-3-ylethanone,CC(=O)c1cccnc1,CC(=O)c1cccnc1,"InChI=1/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3",C7H7NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17662,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.906,WEGYGNROSJDEIW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.908,206-498-8,350-28-7,3-fluoro-p-toluic acid,3-fluoro-4-methylbenzoic acid,Cc1ccc(cc1F)C(=O)O,Cc1ccc(cc1F)C(=O)O,"InChI=1/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)",C8H7FO2,,,,,,XUQCONCMPCVUDM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.912,206-502-8,350-46-9,1-fluoro-4-nitrobenzene,1-fluoro-4-nitrobenzene,[O-][N+](=O)c1ccc(F)cc1,[O-][N+](=O)c1ccc(F)cc1,InChI=1/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,C6H4FNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5549,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.912,WFQDTOYDVUWQMS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.913,206-503-3,350-50-5,a-fluorotoluene,(fluoromethyl)benzene,FCc1ccccc1,FCc1ccccc1,"InChI=1/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7F,,,,,,MBXXQYJBFRRFCK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.915,206-505-4,350-57-2,"(1,1,2,2-tetrafluoroethoxy)benzene","(1,1,2,2-tetrafluoroethoxy)benzene",FC(F)C(F)(F)Oc1ccccc1,FC(F)C(F)(F)Oc1ccccc1,"InChI=1/C8H6F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H",C8H6F4O,,,,,,GRDIVJPQARIBNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.917,206-508-0,350-90-3,a-fluorocinnamic acid,2-fluoro-3-phenylacrylic acid,OC(=O)\\C(=C\\c1ccccc1)\\F,OC(=O)\C(=C\c1ccccc1)\F,"InChI=1/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)",C9H7FO2,,,,,,QONCEXMULRJPPY-VURMDHGXSA-N,,,,,,,,,,,
100.005.924,206-515-9,351-83-7,N-(4-fluorophenyl)acetamide,N-(4-fluorophenyl)acetamide,CC(=O)Nc1ccc(F)cc1,CC(=O)Nc1ccc(F)cc1,"InChI=1/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",C8H8FNO,,,,,,JHEFOJNPLXSWNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.927,206-519-0,352-24-9,"Ethyl 4,4-difluoro-3-oxobutyrate","ethyl 4,4-difluoro-3-oxobutanoate",CCOC(=O)CC(=O)C(F)F,CCOC(=O)CC(=O)C(F)F,"InChI=1/C6H8F2O3/c1-2-11-5(10)3-4(9)6(7)8/h6H,2-3H2,1H3",C6H8F2O3,,,,,,CBDPWKVOPADMJC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.928,206-520-6,352-32-9,4-fluorotoluene,1-fluoro-4-methylbenzene,Cc1ccc(F)cc1,Cc1ccc(F)cc1,"InChI=1/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",C7H7F,,,,,,WRWPPGUCZBJXKX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.941,206-534-2,353-50-4,Carbonyl difluoride,carbonyl difluoride,FC(=O)F,FC(=O)F,InChI=1/CF2O/c2-1(3)4,CF2O,,,,,,IYRWEQXVUNLMAY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.943,206-536-3,353-58-2,Bromodichlorofluoromethane,bromo(dichloro)fluoromethane,FC(Cl)(Cl)Br,FC(Cl)(Cl)Br,"InChI=1/CBrCl2F/c2-1(3,4)5",CBrCl2F,,,,,,ARBYBCHKMDUXNE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.950,206-544-7,354-06-3,"1-bromo-2-chloro-1,1,2-trifluoroethane","1-bromo-2-chloro-1,1,2-trifluoroethane",FC(Cl)C(F)(F)Br,FC(Cl)C(F)(F)Br,"InChI=1/C2HBrClF3/c3-2(6,7)1(4)5/h1H",C2HBrClF3,,,,,,KFTODZKBBUMDQB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.963,206-558-3,354-34-7,Perfluoroacetyl fluoride,trifluoroacetyl fluoride,FC(=O)C(F)(F)F,FC(=O)C(F)(F)F,"InChI=1/C2F4O/c3-1(7)2(4,5)6",C2F4O,,,,,,DCEPGADSNJKOJK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.967,206-563-0,354-55-2,Bromopentafluoroethane,"1-bromo-1,1,2,2,2-pentafluoroethane",FC(F)(F)C(F)(F)Br,FC(F)(F)C(F)(F)Br,"InChI=1/C2BrF5/c3-1(4,5)2(6,7)8",C2BrF5,,,,,,USYVEDJTMCGMKN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.971,206-567-2,354-65-4,"1,1,2,2-tetrafluoro-1,2-diiodoethane","1,1,2,2-tetrafluoro-1,2-diiodoethane",FC(F)(I)C(F)(F)I,FC(F)(I)C(F)(F)I,"InChI=1/C2F4I2/c3-1(4,7)2(5,6)8",C2F4I2,,,,,,NZXVPCQHQVWOFD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.927,204-319-8,119-39-1,Phthalazin-1(2H)-one,phthalazin-1(2H)-one,O=C1NN=Cc2ccccc12,O=C1NN=Cc2ccccc12,"InChI=1/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)",C8H6N2O,,,,,,IJAPPYDYQCXOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.928,204-320-3,119-40-4,7-anilino-4-hydroxynaphthalene-2-sulphonic acid,7-anilino-4-hydroxynaphthalene-2-sulfonic acid,Oc1cc(cc2cc(Nc3ccccc3)ccc12)S(=O)(=O)O,Oc1cc(cc2cc(Nc3ccccc3)ccc12)S(=O)(=O)O,"InChI=1/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)",C16H13NO4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17480,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.928,YGNDWDUEMICDLW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.935,204-328-7,119-48-2,"N,N'-ethylenebis(N-butylmorpholine-4-carboxamide)","N,N'-ethane-1,2-diylbis(N-butylmorpholine-4-carboxamide)",CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2,CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2,"InChI=1/C20H38N4O4/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24/h3-18H2,1-2H3",C20H38N4O4,,,,,,HZTMGWSBSDLALI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.936,204-329-2,119-51-7,2-hydroxyiminopropiophenone,"1-phenylpropane-1,2-dione 2-oxime",O=C(C(C)=NO)c1ccccc1,O=C(C(C)=NO)c1ccccc1,"InChI=1/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3",C9H9NO2,,,,,,YPINLRNGSGGJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.944,204-338-1,119-62-0,"2-amino-1-(4-nitrophenyl)propane-1,3-diol","2-amino-1-(4-nitrophenyl)propane-1,3-diol",NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2",C9H12N2O4,,,,,,OCYJXSUPZMNXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.945,204-339-7,119-63-1,4'-amino-N-methylacetanilide,N-(4-aminophenyl)-N-methylacetamide,CN(C(=O)C)c1ccc(N)cc1,CN(C(=O)C)c1ccc(N)cc1,"InChI=1/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3",C9H12N2O,,,,,,QFELUFGHFLYZEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.947,204-341-8,119-65-3,Isoquinoline,isoquinoline,c1ccc2cnccc2c1,c1ccc2cnccc2c1,InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H,C9H7N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1356,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.947,AWJUIBRHMBBTKR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.953,204-348-6,119-75-5,2-nitro-N-phenylaniline,2-nitro-N-phenylaniline,[O-][N+](=O)c1ccccc1Nc2ccccc2,[O-][N+](=O)c1ccccc1Nc2ccccc2,"InChI=1/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H",C12H10N2O2,,,,,,RUKISNQKOIKZGT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.960,204-355-4,119-90-4,"3,3'-dimethoxybenzidine","3,3'-dimethoxybiphenyl-4,4'-diamine",COc1cc(ccc1N)c2ccc(N)c(OC)c2,COc1cc(ccc1N)c2ccc(N)c(OC)c2,"InChI=1/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3",C14H16N2O2,,,,,,JRBJSXQPQWSCCF-UHFFFAOYSA-N,Positive,UF414001|UF414002|UF414003|UF414004,[M+H]+,HCD55|HCD80|CID35|CID55,230.1058:213.103:215.0823|187.0871:198.0794:215.0823|230.1058:213.1029:214.1107|230.1059:213.1029:214.1108,UFZ,,,,,
100.003.963,204-359-6,119-94-8,N-benzyl-N-ethyl-m-toluidine,N-benzyl-N-ethyl-3-methylaniline,CCN(Cc1ccccc1)c2cccc(C)c2,CCN(Cc1ccccc1)c2cccc(C)c2,"InChI=1/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3",C16H19N,,,,,,VIACAIAQHPLINF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.966,204-362-2,119-97-1,3-[ethyl(4-formyl-3-methylphenyl)amino]propiononitrile,3-[ethyl(4-formyl-3-methylphenyl)amino]propanenitrile,CCN(CCC#N)c1ccc(C=O)c(C)c1,CCN(CCC#N)c1ccc(C=O)c(C)c1,"InChI=1/C13H16N2O/c1-3-15(8-4-7-14)13-6-5-12(10-16)11(2)9-13/h5-6,9-10H,3-4,8H2,1-2H3",C13H16N2O,,,,,,VTXVKMVZEXXUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.968,204-364-3,120-01-4,"3,3'-(carbonyldiimino)bis[4-methoxybenzenesulphonic] acid",4-methoxy-3-{[(2-methoxy-5-sulfophenyl)carbamoyl]amino}benzenesulfonic acid,COc1ccc(cc1NC(=O)Nc2cc(ccc2OC)S(=O)(=O)O)S(=O)(=O)O,COc1ccc(cc1NC(=O)Nc2cc(ccc2OC)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C15H16N2O9S2/c1-25-13-5-3-9(27(19,20)21)7-11(13)16-15(18)17-12-8-10(28(22,23)24)4-6-14(12)26-2/h3-8H,1-2H3,(H2,16,17,18)(H,19,20,21)(H,22,23,24)",C15H16N2O9S2,,,,,,JHYBBUAJZBVIRD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.969,204-365-9,120-04-7,[3-(5-chloro-2-methoxyphenyl)-1-methyl-2-triazenyl]acetic acid,[3-(5-chloro-2-methoxyphenyl)-1-methyltriaz-2-en-1-yl]acetic acid,COc1ccc(Cl)cc1N=NN(C)CC(O)=O,COc1ccc(Cl)cc1N=NN(C)CC(O)=O,"InChI=1/C10H12ClN3O3/c1-14(6-10(15)16)13-12-8-5-7(11)3-4-9(8)17-2/h3-5H,6H2,1-2H3,(H,15,16)",C10H12ClN3O3,,,,,,GTGAPSOELDTFTP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.613,203-974-7,112-46-9,Undec-9-enol,undec-9-en-1-ol,CC=CCCCCCCCCO,CC=CCCCCCCCCO,"InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,12H,4-11H2,1H3",C11H22O,,,,,,XWGRSDLPOHMWEO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.614,203-975-2,112-47-0,"Decane-1,10-diol","decane-1,10-diol",OCCCCCCCCCCO,OCCCCCCCCCCO,"InChI=1/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2",C10H22O2,,,,,,FOTKYAAJKYLFFN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.619,203-981-5,112-52-7,1-chlorododecane,1-chlorododecane,CCCCCCCCCCCCCl,CCCCCCCCCCCCCl,"InChI=1/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",C12H25Cl,,,,,,YAYNEUUHHLGGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.622,203-984-1,112-55-0,Dodecane-1-thiol,dodecane-1-thiol,CCCCCCCCCCCCS,CCCCCCCCCCCCS,"InChI=1/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",C12H26S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2157,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.622,WNAHIZMDSQCWRP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.973,206-569-3,354-76-7,"2,2,3,3,3-pentafluoropropionamide","2,2,3,3,3-pentafluoropropanamide",NC(=O)C(F)(F)C(F)(F)F,NC(=O)C(F)(F)C(F)(F)F,"InChI=1/C3H2F5NO/c4-2(5,1(9)10)3(6,7)8/h(H2,9,10)",C3H2F5NO,,,,,,KQTOYEUYHXUEDB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.974,206-570-9,354-83-6,"Trichloro(1,1,2,2-tetrafluoroethyl)silane","trichloro(1,1,2,2-tetrafluoroethyl)silane",FC(F)C(F)(F)[Si](Cl)(Cl)Cl,FC(F)C(F)(F)[Si](Cl)(Cl)Cl,"InChI=1/C2HCl3F4Si/c3-10(4,5)2(8,9)1(6)7/h1H",C2HCl3F4Si,,,,,,XYTDULITXIJJOW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.978,206-575-6,355-04-4,"1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)pentane","1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)pentane",FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C6F14/c7-1(4(12,13)14,5(15,16)17)2(8,9)3(10,11)6(18,19)20",C6F14,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6830,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.978,ROVMKEZVKFJNBD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.980,206-577-7,355-17-9,"3,3,4,4,5,5,5-heptafluoropentan-2-one","3,3,4,4,5,5,5-heptafluoropentan-2-one",CC(=O)C(F)(F)C(F)(F)C(F)(F)F,CC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5H3F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h1H3",C5H3F7O,,,,,,XJYXROGTQYHLTH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.742,205-216-0,135-72-8,2-(N-ethyl-p-nitrosoanilino)ethanol,2-[ethyl(4-nitrosophenyl)amino]ethanol,CCN(CCO)c1ccc(cc1)N=O,CCN(CCO)c1ccc(cc1)N=O,"InChI=1/C10H14N2O2/c1-2-12(7-8-13)10-5-3-9(11-14)4-6-10/h3-6,13H,2,7-8H2,1H3",C10H14N2O2,,,,,,WTHFJLCKIHUWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.749,205-223-9,135-88-6,N-2-naphthylaniline,N-phenylnaphthalen-2-amine,N(c1ccccc1)c2ccc3ccccc3c2,N(c1ccccc1)c2ccc3ccccc3c2,"InChI=1/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H",C16H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18330,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.749,KEQFTVQCIQJIQW-UHFFFAOYSA-N,Positive,SM836601;UA002801|UA002803,[M+H]+;[M+H]+,HCD35;CID35|CID35,220.112:143.0729:92.0495;220.1122:205.0888:143.0731|220.1119:143.073:205.0887,CASMI_2016;UFZ_Additional_Specs,,,,,
100.004.751,205-226-5,135-97-7,Exo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol,8-methyl-8-azabicyclo[3.2.1]octan-3-ol,CN1[C@@H]2CC[C@H]1C[C@H](O)C2,CN1[C@@H]2CC[C@H]1C[C@H](O)C2,"InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3",C8H15NO,,,,,,CYHOMWAPJJPNMW-RNLVFQAGSA-N,,,,,,,,,,,
100.004.757,205-232-8,136-23-2,Zinc bis(dibutyldithiocarbamate),zinc bis(dibutyldithiocarbamate),[Zn+2].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-],[Zn+2].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-],"InChI=1/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2",C18H36N2S4Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11171,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.757,BOXSVZNGTQTENJ-UHFFFAOYSA-L,,,,,,,,,,,
100.004.769,205-245-9,136-45-8,"Dipropyl pyridine-2,5-dicarboxylate","dipropyl pyridine-2,5-dicarboxylate",CCCOC(=O)c1ccc(nc1)C(=O)OCCC,CCCOC(=O)c1ccc(nc1)C(=O)OCCC,"InChI=1/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3",C13H17NO4,,,,,,IITCWRFYJWUUPC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.776,205-253-2,136-64-1,Terephthalohydrazide,terephthalohydrazide,NNC(=O)c1ccc(cc1)C(=O)NN,NNC(=O)c1ccc(cc1)C(=O)NN,"InChI=1/C8H10N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)",C8H10N4O2,,,,,,ALHNLFMSAXZKRC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.783,205-261-6,136-81-2,o-pentylphenol,2-pentylphenol,CCCCCc1ccccc1O,CCCCCc1ccccc1O,"InChI=1/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h5-6,8-9,12H,2-4,7H2,1H3",C11H16O,,,,,,MEEKGULDSDXFCN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.785,205-263-7,136-83-4,o-nonylphenol,2-nonylphenol,CCCCCCCCCc1ccccc1O,CCCCCCCCCc1ccccc1O,"InChI=1/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3",C15H24O,,,,,,SNQQPOLDUKLAAF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.786,205-264-2,136-84-5,"1,3-bis(hydroxymethyl)imidazolidin-2-one","1,3-bis(hydroxymethyl)imidazolidin-2-one",OCN1CCN(CO)C1=O,OCN1CCN(CO)C1=O,"InChI=1/C5H10N2O3/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2",C5H10N2O3,,,,,,WVJOGYWFVNTSAU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.790,205-268-4,136-95-8,Benzothiazol-2-ylamine,"1,3-benzothiazol-2-amine",Nc1nc2ccccc2s1,Nc1nc2ccccc2s1,"InChI=1/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)",C7H6N2S,,,,,,UHGULLIUJBCTEF-UHFFFAOYSA-N,Positive,AU405706;EQ337401|EQ337402|EQ337403|EQ337404|EQ337405|EQ337406|EQ337407|EQ337408|EQ337409,[M+H]+;[M+H]+,CIDRAMP 16.2-24.4;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,151.032:124.0209:109.0116;151.0325:124.0217|151.0325:124.0215:109.0105|151.0325:124.0217:109.0107|151.0325:124.0217:109.0107|151.0325:109.0107:124.0217|109.0108:151.0326:124.0217|109.0108:65.0386:80.0495|65.0386:109.0108:80.0495|65.0386:68.9794:80.0495,Athens_Univ;Eawag,,,,,
100.004.791,205-270-5,136-96-9,"6-[2-(diethylamino)ethoxy]-N,N-dimethylbenzothiazol-2-amine dihydrochloride","6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride",Cl.Cl.CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C,Cl.Cl.CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C,"InChI=1/C15H23N3OS.2ClH/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4;;/h7-8,11H,5-6,9-10H2,1-4H3;2*1H",C15H23N3OS.2ClH,,,,,,FZNXAQMQVKBXDR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.481,206-028-1,290-87-9,"1,3,5-triazine","1,3,5-triazine",c1ncncn1,c1ncncn1,InChI=1/C3H3N3/c1-4-2-6-3-5-1/h1-3H,C3H3N3,,,,,,JIHQDMXYYFUGFV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.487,206-034-4,294-92-8,"4,10-dioxa-1,7-diazacyclododecane","1,7-dioxa-4,10-diazacyclododecane",C1COCCNCCOCCN1,C1COCCNCCOCCN1,"InChI=1/C8H18N2O2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h9-10H,1-8H2",C8H18N2O2,,,,,,PWJHXHMUGFXPSN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.488,206-036-5,294-93-9,"1,4,7,10-tetraoxacyclododecane","1,4,7,10-tetraoxacyclododecane",C1COCCOCCOCCO1,C1COCCOCCOCCO1,InChI=1/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2,C8H16O4,,,,,,XQQZRZQVBFHBHL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.838,214-121-3,1087-02-1,"1,4-dicyclohexylbenzene","1,4-dicyclohexylbenzene",C1CCC(CC1)c2ccc(cc2)C3CCCCC3,C1CCC(CC1)c2ccc(cc2)C3CCCCC3,"InChI=1/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h11-16H,1-10H2",C18H26,,,,,,QQFSIGWYINAJOB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.842,214-126-0,1088-92-2,Nifurtoinol,"3-(hydroxymethyl)-1-{[(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione",O=[N+]([O-])c2ccc(C=NN1CC(=O)N(CO)C1=O)o2,O=[N+]([O-])c2ccc(C=NN1CC(=O)N(CO)C1=O)o2,"InChI=1/C9H8N4O6/c14-5-11-7(15)4-12(9(11)16)10-3-6-1-2-8(19-6)13(17)18/h1-3,14H,4-5H2",C9H8N4O6,,,,,,UIDWQGRXEVDFCA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.845,214-129-7,1091-85-6,N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]glycine,N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}glycine,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)O,"InChI=1/C14H16N2O4S/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)",C14H16N2O4S,,,,,,QHFXORCWAQTTGH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.857,214-142-8,1096-38-4,"Pregna-4,16-diene-3,20-dione","pregna-4,16-diene-3,20-dione",CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3",C21H28O2,,,,,,VRRHHTISESGZFN-RKFFNLMFSA-N,,,,,,,,,,,
100.012.858,214-143-3,1096-48-6,1-(cyclohexylaminoanthraquinone),"1-(cyclohexylamino)-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(NC4CCCCC4)cccc13,O=C1c2ccccc2C(=O)c3c(NC4CCCCC4)cccc13,"InChI=1/C20H19NO2/c22-19-14-9-4-5-10-15(14)20(23)18-16(19)11-6-12-17(18)21-13-7-2-1-3-8-13/h4-6,9-13,21H,1-3,7-8H2",C20H19NO2,,,,,,BWQIGAJDKXZJTG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.859,214-144-9,1096-80-6,"2,3,5-triphenyltetrazolium bromide","2,3,5-triphenyl-2,3-dihydro-1H-tetrazol-1-ium bromide",[Br-].[NH2+]1N(N(N=C1c2ccccc2)c3ccccc3)c4ccccc4,[Br-].[NH2+]1N(N(N=C1c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C19H16N4.BrH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H,(H,20,21);1H",C19H15N4.Br,,,,,,KMEUWWJICRYLBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.866,214-152-2,1099-87-2,Sodium (3ß)-androst-5-en-17-one 3-sulphate,sodium 17-oxoandrost-4-en-3-yl sulfate,CC12CCC3C(CCC4=CC(CCC34C)OS(=O)(=O)O[Na])C1CCC2=O,CC12CCC3C(CCC4=CC(CCC34C)OS(=O)(=O)O[Na])C1CCC2=O,"InChI=1/C19H28O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h11,13-16H,3-10H2,1-2H3,(H,21,22,23);/q;+1/p-1/rC19H27NaO5S/c1-18-9-7-13(24-26(22,23)25-20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-16H,3-10H2,1-2H3",C19H28O5S.Na,,,,,,OOWTWRVLMUIUMF-UHFFFAOYSA-M,,,,,,,,,,,
100.012.868,214-154-3,1100-88-5,Benzyltriphenylphosphonium chloride,benzyl(triphenyl)phosphonium chloride,[Cl-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Cl-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H22P.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1",C25H22P.Cl,,,,,,USFRYJRPHFMVBZ-UHFFFAOYSA-M,,,,,,,,,,,
100.012.873,214-160-6,1103-38-4,Barium bis[2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate],barium bis{2-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate},[Ba+2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,[Ba+2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C20H14N2O4S.Ba/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2",C20H14N2O4S.1/2Ba,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5903,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.873,LFZDEAVRTJKYAF-UHFFFAOYSA-L,,,,,,,,,,,
100.011.885,213-073-0,922-17-8,"Hexane-3,4-diol","hexane-3,4-diol",CCC(O)C(O)CC,CCC(O)C(O)CC,"InChI=1/C6H14O2/c1-3-5(7)6(8)4-2/h5-8H,3-4H2,1-2H3",C6H14O2,,,,,,POFSNPPXJUQANW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.886,213-074-6,922-32-7,"Phosphocreatine, sodium salt",sodium [carbamimidoyl(methyl)amino](phosphono)acetate,[Na+].CN(C(C(=O)[O-])P(=O)(O)O)C(=N)N,[Na+].CN(C(C(=O)[O-])P(=O)(O)O)C(=N)N,"InChI=1/C4H10N3O5P.Na/c1-7(4(5)6)2(3(8)9)13(10,11)12;/h2H,1H3,(H3,5,6)(H,8,9)(H2,10,11,12);/q;+1/p-1",C4H10N3O5P.2Na,,,,,,LPGNMLMYXQOPJL-UHFFFAOYSA-M,,,,,,,,,,,
100.009.412,210-351-3,613-73-0,o-phenylenediacetonitrile,"2,2'-(1,2-phenylene)diacetonitrile",N#CCc1ccccc1CC#N,N#CCc1ccccc1CC#N,"InChI=1/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H2",C10H8N2,,,,,,FWPFXBANOKKNBR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.414,210-353-4,613-76-3,"Naphthalene-2,7-diamine","naphthalene-2,7-diamine",Nc1ccc2ccc(N)cc2c1,Nc1ccc2ccc(N)cc2c1,"InChI=1/C10H10N2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,11-12H2",C10H10N2,,,,,,HBJPJUGOYJOSLR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.415,210-355-5,613-78-5,2-naphthyl salicylate,2-naphthyl salicylate,Oc1ccccc1C(=O)Oc2ccc3ccccc3c2,Oc1ccccc1C(=O)Oc2ccc3ccccc3c2,"InChI=1/C17H12O3/c18-16-8-4-3-7-15(16)17(19)20-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H",C17H12O3,,,,,,ZBJVLWIYKOAYQH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.420,210-360-2,613-91-2,Acetophenone oxime,1-phenylethanone oxime,CC(=NO)c1ccccc1,CC(=NO)c1ccccc1,"InChI=1/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3",C8H9NO,,,,,,JHNRZXQVBKRYKN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.979,206-576-1,355-08-8,"3,3,4,4,5,5,5-heptafluoropent-1-ene","3,3,4,4,5,5,5-heptafluoropent-1-ene",FC(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C5H3F7/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2",C5H3F7,,,,,,LQAPOTKKMIZDGP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.747,205-221-8,135-80-8,"Sodium 5,6,7,8-tetrahydronaphthalene-2-sulphonate","sodium 5,6,7,8-tetrahydronaphthalene-2-sulfonate",[Na+].[O-]S(=O)(=O)c1ccc2CCCCc2c1,[Na+].[O-]S(=O)(=O)c1ccc2CCCCc2c1,"InChI=1/C10H12O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h5-7H,1-4H2,(H,11,12,13);/q;+1/p-1",C10H12O3S.Na,,,,,,IKFUOWLTOBNMNS-UHFFFAOYSA-M,,,,,,,,,,,
100.004.752,205-227-0,135-98-8,sec-butylbenzene,sec-butylbenzene,CCC(C)c1ccccc1,CCC(C)c1ccccc1,"InChI=1/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",C10H14,,,,,,ZJMWRROPUADPEA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.758,205-233-3,136-24-3,"Zinc bis(2,4,5-trichlorophenoxide)","zinc bis(2,4,5-trichlorophenolate)",Clc1cc(Cl)c(O[Zn]Oc2cc(Cl)c(Cl)cc2Cl)cc1Cl,Clc1cc(Cl)c(O[Zn]Oc2cc(Cl)c(Cl)cc2Cl)cc1Cl,"InChI=1/2C6H3Cl3O.Zn/c2*7-3-1-5(9)6(10)2-4(3)8;/h2*1-2,10H;/q;;+2/p-2",C6H3Cl3O.1/2Zn,,,,,,LETUJWXZVSYCKL-UHFFFAOYSA-L,,,,,,,,,,,
100.004.762,205-238-0,136-30-1,Sodium dibutyldithiocarbamate,sodium dibutyldithiocarbamate,[Na+].CCCCN(CCCC)C(=S)[S-],[Na+].CCCCN(CCCC)C(=S)[S-],"InChI=1/C9H19NS2.Na/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1",C9H19NS2.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5238,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.762,HUMLQUKVJARKRN-UHFFFAOYSA-M,,,,,,,,,,,
100.004.764,205-240-1,136-35-6,Diazoaminobenzene,"1,3-diphenyltriaz-1-ene",N(N=Nc1ccccc1)c2ccccc2,N(N=Nc1ccccc1)c2ccccc2,"InChI=1/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)",C12H11N3,,,,,,ALIFPGGMJDWMJH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.765,205-241-7,136-36-7,3-hydroxyphenyl benzoate,3-hydroxyphenyl benzoate,Oc1cccc(OC(=O)c2ccccc2)c1,Oc1cccc(OC(=O)c2ccccc2)c1,"InChI=1/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H",C13H10O3,,,,,,GDESWOTWNNGOMW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.767,205-243-8,136-40-3,Phenazopyridine hydrochloride,"3-(phenyldiazenyl)pyridine-2,6-diamine hydrochloride",Cl.Nc2nc(N)ccc2N=Nc1ccccc1,Cl.Nc2nc(N)ccc2N=Nc1ccccc1,"InChI=1/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H",C11H11N5.ClH,,,,,,QQBPIHBUCMDKFG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.778,205-255-3,136-70-9,Protokylol,"4-(2-{[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino}-1-hydroxyethyl)benzene-1,2-diol",CC(Cc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(O)c3,CC(Cc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(O)c3,"InChI=1/C18H21NO5/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3",C18H21NO5,,,,,,LUMAEVHDZXIGEP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.780,205-257-4,136-77-6,4-hexylresorcinol,"4-hexylbenzene-1,3-diol",CCCCCCc1ccc(O)cc1O,CCCCCCc1ccc(O)cc1O,"InChI=1/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3",C12H18O2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19033,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.780,WFJIVOKAWHGMBH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.789,205-267-9,136-92-5,"N,N,6-triethyl-5-thioxo-2,4-dithia-3-selena-6-azaoctanethioamide","N,N,6-triethyl-1,5-dithioxo-2,4-dithia-3-selena-6-azaoctan-1-amine",CCN(CC)C(=S)S[Se]SC(=S)N(CC)CC,CCN(CC)C(=S)S[Se]SC(=S)N(CC)CC,"InChI=1/C10H20N2S4Se/c1-5-11(6-2)9(13)15-17-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",C10H20N2S4Se,,,,,,RLULIUSIDLLCSW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.493,206-041-2,295-65-8,Cyclohexadecane,cyclohexadecane,C1CCCCCCCCCCCCCCC1,C1CCCCCCCCCCCCCCC1,InChI=1/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2,C16H32,,,,,,JJWIOXUMXIOXQN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.495,206-043-3,296-39-9,"1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane","1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane",C1COCCSCCOCCOCCSCCO1,C1COCCSCCOCCOCCSCCO1,InChI=1/C12H24O4S2/c1-2-14-6-10-18-12-8-16-4-3-15-7-11-17-9-5-13-1/h1-12H2,C12H24O4S2,,,,,,LIQFCELSAWJXJN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.500,206-049-6,297-97-2,"O,O-diethyl O-pyrazin-2-yl phosphorothioate","O,O-diethyl O-pyrazin-2-yl thiophosphate",CCOP(=S)(OCC)Oc1cnccn1,CCOP(=S)(OCC)Oc1cnccn1,"InChI=1/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3",C8H13N2O3PS,,,,,,IRVDMKJLOCGUBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.506,206-055-9,298-06-6,"O,O-diethyl hydrogen phosphorodithioate","O,O-diethyl hydrogen dithiophosphate",CCOP(=S)(S)OCC,CCOP(=S)(S)OCC,"InChI=1/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)",C4H11O2PS2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11749,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.506,IRDLUHRVLVEUHA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.507,206-056-4,298-07-7,Bis(2-ethylhexyl) hydrogen phosphate,bis(2-ethylhexyl) hydrogen phosphate,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,"InChI=1/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)",C16H35O4P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5599,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.507,SEGLCEQVOFDUPX-UHFFFAOYSA-N,Positive/Negative,SM883301,[M+H]+,HCD35,98.9842:71.0856:57.0701,CASMI_2016,SM883355,[M-H]-,HCD35,321.2205,CASMI_2016
100.005.508,206-058-5,298-12-4,Glyoxylic acid,glyoxyl acid,OC(=O)C=O,OC(=O)C=O,"InChI=1/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)",C2H2O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14954,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.508,HHLFWLYXYJOTON-UHFFFAOYSA-N,,,,,,,,,,,
100.003.627,203-989-9,112-60-7,"3,6,9-trioxaundecane-1,11-diol","2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol",OCCOCCOCCOCCO,OCCOCCOCCOCCO,"InChI=1/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2",C8H18O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5383,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.627,UWHCKJMYHZGTIT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.631,203-994-6,112-64-1,Myristoyl chloride,tetradecanoyl chloride,CCCCCCCCCCCCCC(=O)Cl,CCCCCCCCCCCCCC(=O)Cl,"InChI=1/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3",C14H27ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6864,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.631,LPWCRLGKYWVLHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.638,204-001-9,112-73-2,Bis(2-butoxyethyl) ether,"1,1'-[oxybis(ethane-2,1-diyloxy)]dibutane",CCCCOCCOCCOCCCC,CCCCOCCOCCOCCCC,"InChI=1/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3",C12H26O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5839,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.638,KZVBBTZJMSWGTK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.647,204-011-3,112-86-7,(Z)-docos-13-enoic acid,docos-13-enoic acid,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)O,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O,"InChI=1/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)",C22H42O2,,,,,,DPUOLQHDNGRHBS-KTKRTIGZSA-N,,,,,,,,,,,
100.003.649,204-013-4,112-89-0,1-bromooctadecane,1-bromooctadecane,CCCCCCCCCCCCCCCCCCBr,CCCCCCCCCCCCCCCCCCBr,"InChI=1/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3",C18H37Br,,,,,,WSULSMOGMLRGKU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.650,204-015-5,112-90-3,(Z)-octadec-9-enylamine,octadec-9-en-1-amine,CCCCCCCC\\C=C/CCCCCCCCN,CCCCCCCC\C=C/CCCCCCCCN,"InChI=1/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3",C18H37N,,,,,,QGLWBTPVKHMVHM-KTKRTIGZSA-N,,,,,,,,,,,
100.003.652,204-017-6,112-92-5,Octadecan-1-ol,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCO,"InChI=1/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",C18H38O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15937,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.652,GLDOVTGHNKAZLK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.657,204-022-3,113-07-5,"1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one monohydrochloride","1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one hydrochloride",Cl.CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4,Cl.CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4,"InChI=1/C24H30N2O2.ClH/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,22H,2,13-19H2,1H3;1H",C24H30N2O2.ClH,,,,,,MBGXILHMHYLZJT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.660,204-026-5,113-38-2,Estradiol dipropionate,"estra-1,3,5(10)-triene-3,17-diyl dipropanoate",CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CC)ccc4[C@H]3CC[C@]12C,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CC)ccc4[C@H]3CC[C@]12C,"InChI=1/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3",C24H32O4,,,,,,JQIYNMYZKRGDFK-RUFWAXPRSA-N,,,,,,,,,,,
100.003.663,204-029-1,113-48-4,"N-(2-ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide","2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O,CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O,"InChI=1/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3",C17H25NO2,,,,,,WLLGXSLBOPFWQV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.664,204-030-7,113-52-0,Imipramine hydrochloride,"3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride",Cl.CN(C)CCCN1c2ccccc2CCc3ccccc13,Cl.CN(C)CCCN1c2ccccc2CCc3ccccc13,"InChI=1/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H",C19H24N2.ClH,,,,,,XZZXIYZZBJDEEP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.665,204-031-2,113-53-1,Dosulepin,"3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine",CN(C)CCC=C1c3ccccc3SCc2ccccc12,CN(C)CCC=C1c3ccccc3SCc2ccccc12,"InChI=1/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3",C19H21NS,,,,,,PHTUQLWOUWZIMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.670,204-037-5,113-92-8,Chlorphenamine hydrogen maleate,"3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine but-2-enedioate",OC(=O)C=CC(O)=O.Clc1ccc(cc1)C(CCN(C)C)c2ccccn2,OC(=O)C=CC(O)=O.Clc1ccc(cc1)C(CCN(C)C)c2ccccn2,"InChI=1/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C16H19ClN2.C4H4O4,,,,,,DBAKFASWICGISY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.672,204-039-6,114-03-4,5-hydroxy-DL-tryptophan,5-hydroxy-L-tryptophan,OC(=O)[C@@H](N)Cc2cnc1ccc(O)cc12,OC(=O)[C@@H](N)Cc2cnc1ccc(O)cc12,"InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",C11H12N2O3,,,,,,LDCYZAJDBXYCGN-VIFPVBQESA-N,,,,,,,,,,,
100.003.676,204-043-8,114-26-1,Propoxur,2-isopropoxyphenyl methylcarbamate,CNC(=O)Oc1ccccc1OC(C)C,CNC(=O)Oc1ccccc1OC(C)C,"InChI=1/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)",C11H15NO3,,,,,,ISRUGXGCCGIOQO-UHFFFAOYSA-N,,,,,,,,,,,
100.003.679,204-046-4,114-33-0,N-methylnicotinamide,N-methylnicotinamide,O=C(NC)c1cccnc1,O=C(NC)c1cccnc1,"InChI=1/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)",C7H8N2O,,,,,,ZYVXHFWBYUDDBM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.489,206-037-0,295-03-4,Azacyclotridecane,azacyclotridecane,C1CCCCCCNCCCCC1,C1CCCCCCNCCCCC1,"InChI=1/C12H25N/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h13H,1-12H2",C12H25N,,,,,,UFADJPZTTUWZMP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.497,206-045-4,297-78-9,Isobenzan,"1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzofuran",ClC1OC(Cl)C2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,ClC1OC(Cl)C2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,"InChI=1/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H",C9H4Cl8O,,,,,,LRWHHSXTGZSMSN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.499,206-048-0,297-90-5,Racemorphan,17-methylmorphinan-3-ol,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccc(O)cc34,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccc(O)cc34,"InChI=1/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3",C17H23NO,,,,,,JAQUASYNZVUNQP-USXIJHARSA-N,,,,,,,,,,,
100.005.509,206-059-0,298-14-6,Potassium hydrogencarbonate,potassium hydrogen carbonate,[K+].OC(=O)[O-],[K+].OC(=O)[O-],"InChI=1/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",CH2O3.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13190,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.509,TYJJADVDDVDEDZ-UHFFFAOYSA-M,,,,,,,,,,,
100.005.512,206-062-7,298-46-4,Carbamazepine,"5H-dibenzo[b,f]azepine-5-carboxamide",NC(=O)N1c2ccccc2C=Cc3ccccc13,NC(=O)N1c2ccccc2C=Cc3ccccc13,"InChI=1/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",C15H12N2O,,,,,,FFGPTBGBLSHEPO-UHFFFAOYSA-N,Positive,AU112001|AU112002|AU112003|AU112004|AU112005;EA019401|EA019402|EA019403|EA019404|EA019405|EA019406|EA019407|EA019408|EA019409|EA019410|EA019411|EA019412|EA019413|EA019414;UA003001|UA003003,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;CID35|CID35,237.102:238.1052:194.0964|194.0963:237.1021:192.0806|194.0958:193.0873:195.0994|194.0958:193.0882:192.0804|193.088:192.0803:165.0693;194.0963:220.0754:192.0807|237.1022:194.0961:192.0808|237.1022:194.0964:192.0807|194.0964:192.0807:237.1021|194.0963:192.0806:193.0883|194.0962:192.0807:193.0883|193.0884:194.0962:179.0728|237.1021:194.0961:192.0807|237.1022:194.0963:192.0806|194.0963:192.0806:237.1019|194.0964:192.0807:193.0885|194.0963:192.0806:193.0884|193.0884:194.0962:179.0727|194.0963:220.0754:192.0806;194.0965:220.076:192.0811|194.0964:220.0754:192.0809,Athens_Univ;Eawag;UFZ_Additional_Specs,,,,,
100.005.516,206-066-9,298-81-7,"9-methoxyfuro[3,2-g]chromen-7-one","9-methoxy-7H-furo[3,2-g]chromen-7-one",COc1c2OC(=O)C=Cc2cc3ccoc13,COc1c2OC(=O)C=Cc2cc3ccoc13,"InChI=1/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",C12H8O4,,,,,,QXKHYNVANLEOEG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.518,206-069-5,298-93-1,"3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide","3-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-diphenyl-2,3-dihydro-1H-tetrazol-1-ium bromide",[Br-].Cc1nc(sc1C)N2N=C([NH2+]N2c3ccccc3)c4ccccc4,[Br-].Cc1nc(sc1C)N2N=C([NH2+]N2c3ccccc3)c4ccccc4,"InChI=1/C18H17N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3,(H,20,21);1H",C18H16N5S.Br,,,,,,NBWRJAOOMGASJP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.520,206-071-6,298-96-4,"2,3,5-triphenyltetrazolium chloride","2,3,5-triphenyl-2,3-dihydro-1H-tetrazol-1-ium chloride",[Cl-].[NH2+]1N(N(N=C1c2ccccc2)c3ccccc3)c4ccccc4,[Cl-].[NH2+]1N(N(N=C1c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C19H16N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H,(H,20,21);1H",C19H15N4.Cl,,,,,,LCJINPXTMHVZGV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.521,206-072-1,299-11-6,5-methylphenazinium methyl sulphate,5-methylphenazin-5-ium methyl sulfate,COS(=O)(=O)[O-].C[n+]1c2ccccc2nc3ccccc13,COS(=O)(=O)[O-].C[n+]1c2ccccc2nc3ccccc13,"InChI=1/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1",C13H11N2.CH3O4S,,,,,,RXGJTUSBYWCRBK-UHFFFAOYSA-M,,,,,,,,,,,
100.005.524,206-075-8,299-28-5,Calcium gluconate,"calcium bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",[Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C6H12O7.1/2Ca,,,,,,NEEHYRZPVYRGPP-IYEMJOQQSA-L,,,,,,,,,,,
100.005.525,206-076-3,299-29-6,Iron digluconate,"iron(2+) bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",OCC(O)C(O)C(O)C(O)C(=O)O[Fe]OC(=O)C(O)C(O)C(O)C(O)CO,OCC(O)C(O)C(O)C(O)C(=O)O[Fe]OC(=O)C(O)C(O)C(O)C(O)CO,"InChI=1/2C6H12O7.Fe/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C12H22FeO14,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6711,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.525,VRIVJOXICYMTAG-UHFFFAOYSA-L,,,,,,,,,,,
100.005.528,206-080-5,299-42-3,Ephedrine,2-(methylamino)-1-phenylpropan-1-ol,CN[C@@H](C)[C@H](O)c1ccccc1,CN[C@@H](C)[C@H](O)c1ccccc1,"InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3",C10H15NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11605,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.528,KWGRBVOPPLSCSI-WPRPVWTQSA-N,Positive,EA275801|EA275802|EA275803|EA275804|EA275805|EA275806|EA275807|EA275808|EA275809|EA275810|EA275811|EA275812|EA275813|EA275814,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,148.1122|166.1227:148.1121:117.0702|148.1122:166.1227:135.0805|148.1122:117.0699:166.1223|148.1121:117.0699:133.0886|148.1123:133.0888:117.07|133.0886:115.0543:117.0699|166.1227:148.1121:117.0698|148.1121:166.1227:135.0804|148.1121:117.0699:166.1228|148.1121:117.0699:133.0887|148.1122:133.0886:117.0699|133.0886:115.0542:117.0698|148.1121:117.0704:135.0805,Eawag,,,,,
100.005.529,206-081-0,299-75-2,Treosulfan,"2,3-dihydroxybutane-1,4-diyl dimethanesulfonate",CS(=O)(=O)OCC(O)C(O)COS(=O)(=O)C,CS(=O)(=O)OCC(O)C(O)COS(=O)(=O)C,"InChI=1/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3",C6H14O8S2,,,,,,YCPOZVAOBBQLRI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.532,206-084-7,299-88-7,Bentiamine,4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-(benzoylsulfanyl)pent-3-en-1-yl benzoate,Nc3nc(C)ncc3CN(C=O)C(C)=C(CCOC(=O)c1ccccc1)SC(=O)c2ccccc2,Nc3nc(C)ncc3CN(C=O)C(C)=C(CCOC(=O)c1ccccc1)SC(=O)c2ccccc2,"InChI=1/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)",C26H26N4O4S,,,,,,AZJUFRDUYTYIHV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.040,206-643-5,361-09-1,Sodium cholate,"sodium 3,7,12-trihydroxycholan-24-oate",[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1",C24H40O5.Na,,,,,,NRHMKIHPTBHXPF-TUJRSCDTSA-M,,,,,,,,,,,
100.009.426,210-367-0,614-03-9,(S)-3-hydroxy-a-[(methylamino)methyl]benzyl alcohol,3-[1-hydroxy-2-(methylamino)ethyl]phenol,CNC[C@@H](O)c1cccc(O)c1,CNC[C@@H](O)c1cccc(O)c1,"InChI=1/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3",C9H13NO2,,,,,,SONNWYBIRXJNDC-SECBINFHSA-N,,,,,,,,,,,
100.009.429,210-370-7,614-18-6,Ethyl nicotinate,ethyl nicotinate,CCOC(=O)c1cccnc1,CCOC(=O)c1cccnc1,"InChI=1/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3",C8H9NO2,,,,,,XBLVHTDFJBKJLG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.434,210-375-4,614-30-2,N-benzyl-N-methylaniline,N-benzyl-N-methylaniline,CN(Cc1ccccc1)c2ccccc2,CN(Cc1ccccc1)c2ccccc2,"InChI=1/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3",C14H15N,,,,,,LXZGVFCKZRHKMU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.440,210-382-2,614-45-9,tert-butyl perbenzoate,tert-butyl benzenecarboperoxoate,CC(C)(C)OOC(=O)c1ccccc1,CC(C)(C)OOC(=O)c1ccccc1,"InChI=1/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3",C11H14O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14209,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.440,GJBRNHKUVLOCEB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.443,210-385-9,614-57-3,"5-phenylpenta-2,4-dienophenone","1,5-diphenylpenta-2,4-dien-1-one",O=C(C=CC=Cc1ccccc1)c2ccccc2,O=C(C=CC=Cc1ccccc1)c2ccccc2,InChI=1/C17H14O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-14H,C17H14O,,,,,,QONKLJMPKWQQFG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.448,210-391-1,614-70-0,o-(ethylamino)phenol,2-(ethylamino)phenol,CCNc1ccccc1O,CCNc1ccccc1O,"InChI=1/C8H11NO/c1-2-9-7-5-3-4-6-8(7)10/h3-6,9-10H,2H2,1H3",C8H11NO,,,,,,BCESCHGDVIYYPC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.450,210-393-2,614-75-5,o-hydroxyphenylacetic acid,(2-hydroxyphenyl)acetic acid,OC(=O)Cc1ccccc1O,OC(=O)Cc1ccccc1O,"InChI=1/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",C8H8O3,,,,,,CCVYRRGZDBSHFU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.459,210-404-0,614-99-3,Ethyl 2-furoate,ethyl 2-furoate,CCOC(=O)c1occc1,CCOC(=O)c1occc1,"InChI=1/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3",C7H8O3,,,,,,NHXSTXWKZVAVOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.276,211-302-9,637-82-1,Manganese succinate,manganese(2+) succinate,[Mn+2].[O-]C(=O)CCC(=O)[O-],[Mn+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Mn/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Mn,,,,,,DVLNSVDZZINLGN-UHFFFAOYSA-L,,,,,,,,,,,
100.010.290,211-318-6,638-08-4,Stearic anhydride,octadecanoic anhydride,CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C36H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",C36H70O3,,,,,,WVJVHUWVQNLPCR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.292,211-320-7,638-11-9,Isopropyl butyrate,isopropyl butyrate,CCCC(=O)OC(C)C,CCCC(=O)OC(C)C,"InChI=1/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3",C7H14O2,,,,,,FFOPEPMHKILNIT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.312,211-342-7,638-54-0,Octanedial,suberaldehyde,O=CCCCCCCC=O,O=CCCCCCCC=O,"InChI=1/C8H14O2/c9-7-5-3-1-2-4-6-8-10/h7-8H,1-6H2",C8H14O2,,,,,,OADYBSJSJUFUBR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.315,211-345-3,638-65-3,Stearonitrile,stearonitrile,CCCCCCCCCCCCCCCCCC#N,CCCCCCCCCCCCCCCCCC#N,"InChI=1/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3",C18H35N,,,,,,RHSBIGNQEIPSCT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.317,211-347-4,638-67-5,Tricosane,tricosane,CCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3",C23H48,,,,,,FIGVVZUWCLSUEI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.323,211-354-2,639-44-1,"4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)phthalide","4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one",Oc1ccc(cc1)C2(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)c4ccc(O)cc4,Oc1ccc(cc1)C2(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)c4ccc(O)cc4,"InChI=1/C20H10Cl4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H",C20H10Cl4O4,,,,,,NPARLLRHBQQQDY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.330,211-362-6,640-15-3,Thiometon,"S-[2-(ethylsulfanyl)ethyl] O,O-dimethyl dithiophosphate",CCSCCSP(=S)(OC)OC,CCSCCSP(=S)(OC)OC,"InChI=1/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3",C6H15O2PS3,,,,,,OPASCBHCTNRLRM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.057,212-163-7,766-27-8,"2,2-diethylthiazolidine","2,2-diethyl-1,3-thiazolidine",CCC1(CC)NCCS1,CCC1(CC)NCCS1,"InChI=1/C7H15NS/c1-3-7(4-2)8-5-6-9-7/h8H,3-6H2,1-2H3",C7H15NS,,,,,,JQIBJYGPKFIOHE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.060,212-166-3,766-40-5,"3,4-dichloro-5-hydroxyfuran-2(5H)-one","3,4-dichloro-5-hydroxyfuran-2(5H)-one",OC1OC(=O)C(=C1Cl)Cl,OC1OC(=O)C(=C1Cl)Cl,"InChI=1/C4H2Cl2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H",C4H2Cl2O3,,,,,,ZAKLKBFCSHJIRI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.080,212-188-3,767-76-0,"1,2,3,4,5-pentamethyl-1H-pyrrole","1,2,3,4,5-pentamethyl-1H-pyrrole",Cc1c(C)c(C)n(C)c1C,Cc1c(C)c(C)n(C)c1C,InChI=1/C9H15N/c1-6-7(2)9(4)10(5)8(6)3/h1-5H3,C9H15N,,,,,,IQBFHKGECNYUMS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.083,212-192-5,768-32-1,Phenyltrimethylsilane,trimethyl(phenyl)silane,C[Si](C)(C)c1ccccc1,C[Si](C)(C)c1ccccc1,"InChI=1/C9H14Si/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3",C9H14Si,,,,,,KXFSUVJPEQYUGN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.523,206-074-2,299-27-4,Potassium gluconate,"potassium 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",[K+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[K+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C6H12O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1",C6H12O7.K,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10349,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.523,HLCFGWHYROZGBI-JJKGCWMISA-M,,,,,,,,,,,
100.005.527,206-078-4,299-39-8,Sparteine sulphate,sparteine sulfate,OS(=O)(=O)O.C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1,OS(=O)(=O)O.C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1,"InChI=1/C15H26N2.H2O4S/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4/h12-15H,1-11H2;(H2,1,2,3,4)",C15H26N2.H2O4S,,,,,,FCEHFCFHANDXMB-UMEYXWOPSA-N,,,,,,,,,,,
100.005.530,206-082-6,299-84-3,Fenchlorphos,"O,O-dimethyl O-(2,4,5-trichlorophenyl) thiophosphate",COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3",C8H8Cl3O3PS,,,,,,JHJOOSLFWRRSGU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.531,206-083-1,299-86-5,Crufomate,4-tert-butyl-2-chlorophenyl methyl methylamidophosphate,CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C,CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C,"InChI=1/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)",C12H19ClNO3P,,,,,,BOFHKBLZOYVHSI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.038,206-640-9,360-89-4,"1,1,1,2,3,4,4,4-octafluorobut-2-ene","1,1,1,2,3,4,4,4-octafluorobut-2-ene",FC(=C(F)C(F)(F)F)C(F)(F)F,FC(=C(F)C(F)(F)F)C(F)(F)F,"InChI=1/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12",C4F8,,,,,,WSJULBMCKQTTIG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.041,206-644-0,361-37-5,Methysergide,"N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide",CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34,CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34,"InChI=1/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)",C21H27N3O2,,,,,,KPJZHOPZRAFDTN-ZRGWGRIASA-N,,,,,,,,,,,
100.006.044,206-647-7,362-43-6,"2',3'-isopropylideneuridine","1-[1,5-dihydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hex-2-yl]pyrimidine-2,4(1H,3H)-dione",CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](N3C=CC(=O)NC3=O)[C@@]12O,CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](N3C=CC(=O)NC3=O)[C@@]12O,"InChI=1/C12H16N2O6/c1-10(2)11(18)6(5-15)20-8(12(10,11)19)14-4-3-7(16)13-9(14)17/h3-4,6,8,15,18-19H,5H2,1-2H3,(H,13,16,17)",C12H16N2O6,,,,,,PXOVVKXBOIKPJQ-RMEKTUJTSA-N,,,,,,,,,,,
100.006.049,206-652-4,362-86-7,3-(p-fluorophenyl)-3-phenylpropionic acid,3-(4-fluorophenyl)-3-phenylpropanoic acid,OC(=O)CC(c1ccccc1)c2ccc(F)cc2,OC(=O)CC(c1ccccc1)c2ccc(F)cc2,"InChI=1/C15H13FO2/c16-13-8-6-12(7-9-13)14(10-15(17)18)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)",C15H13FO2,,,,,,NKBOILGAWSETPR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.050,206-654-5,363-03-1,Phenyl-p-benzoquinone,"2-phenyl-1,4-benzoquinone",O=C1C=CC(=O)C(=C1)c2ccccc2,O=C1C=CC(=O)C(=C1)c2ccccc2,InChI=1/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,C12H8O2,,,,,,RLQZIECDMISZHS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.054,206-658-7,363-72-4,Pentafluorobenzene,"1,2,3,4,5-pentafluorobenzene",Fc1cc(F)c(F)c(F)c1F,Fc1cc(F)c(F)c(F)c1F,InChI=1/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,C6HF5,,,,,,WACNXHCZHTVBJM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.060,206-665-5,364-76-1,4-fluoro-3-nitroaniline,4-fluoro-3-nitroaniline,Nc1ccc(F)c(c1)[N+](=O)[O-],Nc1ccc(F)c(c1)[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2",C6H5FN2O2,,,,,,LLIOADBCFIXIEU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.062,206-667-6,364-83-0,"1-(2,4-difluorophenyl)ethan-1-one","1-(2,4-difluorophenyl)ethanone",CC(=O)c1ccc(F)cc1F,CC(=O)c1ccc(F)cc1F,"InChI=1/C8H6F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3",C8H6F2O,,,,,,QEWHNJPLPZOEKU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.063,206-668-1,364-98-7,Diazoxide,"7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide",CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,"InChI=1/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)",C8H7ClN2O2S,,,,,,GDLBFKVLRPITMI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.064,206-669-7,365-08-2,Thymidine 5'-(tetrahydrogen triphosphate),"1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione",CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)NC1=O,CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)NC1=O,"InChI=1/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)",C10H17N2O14P3,,,,,,NHVNXKFIZYSCEB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.070,206-676-5,366-29-0,"N,N,N',N'-tetramethylbenzidine","N,N,N',N'-tetramethylbiphenyl-4,4'-diamine",CN(C)c1ccc(cc1)c2ccc(cc2)N(C)C,CN(C)c1ccc(cc1)c2ccc(cc2)N(C)C,"InChI=1/C16H20N2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3",C16H20N2,,,,,,YRNWIFYIFSBPAU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.073,206-679-1,366-77-8,3-(4-fluorobenzoyl)propionic acid,4-(4-fluorophenyl)-4-oxobutanoic acid,OC(=O)CCC(=O)c1ccc(F)cc1,OC(=O)CCC(=O)c1ccc(F)cc1,"InChI=1/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)",C10H9FO3,,,,,,WUYWHIAAQYQKPP-UHFFFAOYSA-N,Positive/Negative,SM854306,[M+H]+,HCD35,179.0503:123.0241:151.0554,CASMI_2016,SM854355,[M-H]-,HCD35,151.0565:149.0407:195.0465,CASMI_2016
100.003.684,204-052-7,114-70-5,Sodium phenylacetate,sodium phenylacetate,[Na+].[O-]C(=O)Cc1ccccc1,[Na+].[O-]C(=O)Cc1ccccc1,"InChI=1/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1",C8H8O2.Na,,,,,,HZOREEUASZHZBI-UHFFFAOYSA-M,,,,,,,,,,,
100.003.685,204-053-2,114-76-1,Sodium phenylpyruvate,sodium 2-oxo-3-phenylpropanoate,[Na+].[O-]C(=O)C(=O)Cc1ccccc1,[Na+].[O-]C(=O)C(=O)Cc1ccccc1,"InChI=1/C9H8O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);/q;+1/p-1",C9H8O3.Na,,,,,,MQGYVGKMCRDEAF-UHFFFAOYSA-M,,,,,,,,,,,
100.003.691,204-060-0,114-91-0,Metyridine,2-(2-methoxyethyl)pyridine,COCCc1ccccn1,COCCc1ccccn1,"InChI=1/C8H11NO/c1-10-7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3",C8H11NO,,,,,,QRBVCAWHUSTDOT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.693,204-062-1,115-07-1,Propene,prop-1-ene,CC=C,CC=C,"InChI=1/C3H6/c1-3-2/h3H,1H2,2H3",C3H6,Full,Joint,10000000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16184,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.693,QQONPFPTGQHPMA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.696,204-065-8,115-10-6,Dimethyl ether,dimethyl ether,COC,COC,InChI=1/C2H6O/c1-3-2/h1-2H3,C2H6O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15974,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.696,LCGLNKUTAGEVQW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.705,204-075-2,115-25-3,Octafluorocyclobutane,octafluorocyclobutane,FC1(F)C(F)(F)C(F)(F)C1(F)F,FC1(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10",C4F8,,,,,,BCCOBQSFUDVTJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.708,204-078-9,115-28-6,"1,4,5,6,7,7-hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic acid","1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",OC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,OC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)",C9H4Cl6O4,,,,,,DJKGDNKYTKCJKD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.713,204-084-1,115-37-7,Thebaine,"3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan",COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3",C19H21NO3,,,,,,FQXXSQDCDRQNQE-VMDGZTHMSA-N,,,,,,,,,,,
100.003.722,204-094-6,115-53-7,"(9a,13a,14a)-7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one","4-hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one",COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O,COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O,"InChI=1/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3",C19H23NO4,,,,,,INYYVPJSBIVGPH-QHRIQVFBSA-N,,,,,,,,,,,
100.003.726,204-098-8,115-67-3,Paramethadione,"5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione",CCC1(C)OC(=O)N(C)C1=O,CCC1(C)OC(=O)N(C)C1=O,"InChI=1/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3",C7H11NO3,,,,,,VQASKUSHBVDKGU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.728,204-100-7,115-69-5,"2-amino-2-methylpropane-1,3-diol","2-amino-2-methylpropane-1,3-diol",CC(N)(CO)CO,CC(N)(CO)CO,"InChI=1/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3",C4H11NO2,,,,,,UXFQFBNBSPQBJW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.736,204-109-6,115-82-2,Tetrakis(2-ethylhexyl) orthosilicate,tetrakis(2-ethylhexyl) orthosilicate,CCCCC(CC)CO[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC,CCCCC(CC)CO[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1/C32H68O4Si/c1-9-17-21-29(13-5)25-33-37(34-26-30(14-6)22-18-10-2,35-27-31(15-7)23-19-11-3)36-28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3",C32H68O4Si,,,,,,MQHSFMJHURNQIE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.737,204-110-1,115-83-3,Pentaerythritol tetrastearate,"3-(stearoyloxy)-2,2-bis[(stearoyloxy)methyl]propyl stearate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3",C77H148O8,,,,,,OCKWAZCWKSMKNC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.740,204-113-8,115-88-8,Diphenyl octyl phosphate,octyl diphenyl phosphate,CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C20H27O4P/c1-2-3-4-5-6-13-18-22-25(21,23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3",C20H27O4P,,,,,,YAFOVCNAQTZDQB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.744,204-118-5,115-96-8,Tris(2-chloroethyl) phosphate,tris(2-chloroethyl) phosphate,ClCCOP(=O)(OCCCl)OCCCl,ClCCOP(=O)(OCCCl)OCCCl,"InChI=1/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2",C6H12Cl3O4P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5193,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.744,HQUQLFOMPYWACS-UHFFFAOYSA-N,Positive,SM879001,[M+H]+,HCD35,62.9997:98.9842:284.9612,CASMI_2016,,,,,
100.006.057,206-661-3,364-44-3,"1-fluoro-2,4,6-trinitrobenzene","2-fluoro-1,3,5-trinitrobenzene",[O-][N+](=O)c1cc(c(F)c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(F)c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C6H2FN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,C6H2FN3O6,,,,,,XPARNGAWWCCOIM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.059,206-663-4,364-74-9,"1,4-difluoro-2-nitrobenzene","1,4-difluoro-2-nitrobenzene",[O-][N+](=O)c1cc(F)ccc1F,[O-][N+](=O)c1cc(F)ccc1F,InChI=1/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,C6H3F2NO2,,,,,,XNJAYQHWXYJBBD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.061,206-666-0,364-78-3,4-fluoro-2-nitroaniline,4-fluoro-2-nitroaniline,Nc1ccc(F)cc1[N+](=O)[O-],Nc1ccc(F)cc1[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2",C6H5FN2O2,,,,,,PUGDHSSOXPHLPT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.071,206-677-0,366-63-2,4-fluorobenzanilide,4-fluoro-N-phenylbenzamide,Fc1ccc(cc1)C(=O)Nc2ccccc2,Fc1ccc(cc1)C(=O)Nc2ccccc2,"InChI=1/C13H10FNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)",C13H10FNO,,,,,,FIEGRQABVBXYQT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.072,206-678-6,366-70-1,Procarbazine hydrochloride,N-isopropyl-4-[(2-methylhydrazino)methyl]benzamide hydrochloride,Cl.CNNCc1ccc(cc1)C(=O)NC(C)C,Cl.CNNCc1ccc(cc1)C(=O)NC(C)C,"InChI=1/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H",C12H19N3O.ClH,,,,,,DERJYEZSLHIUKF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.074,206-680-7,367-11-3,"1,2-difluorobenzene","1,2-difluorobenzene",Fc1ccccc1F,Fc1ccccc1F,InChI=1/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4F2,,,,,,GOYDNIKZWGIXJT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.076,206-682-8,367-21-5,3-chloro-4-fluoroaniline,3-chloro-4-fluoroaniline,Nc1ccc(F)c(Cl)c1,Nc1ccc(F)c(Cl)c1,"InChI=1/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2",C6H5ClFN,,,,,,YSEMCVGMNUUNRK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.077,206-683-3,367-22-6,4-chloro-3-fluoroaniline,4-chloro-3-fluoroaniline,Nc1ccc(Cl)c(F)c1,Nc1ccc(Cl)c(F)c1,"InChI=1/C6H5ClFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2",C6H5ClFN,,,,,,ACMJJQYSPUPMPN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.078,206-684-9,367-23-7,"1,2,4-trifluorobenzene","1,2,4-trifluorobenzene",Fc1ccc(F)c(F)c1,Fc1ccc(F)c(F)c1,InChI=1/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H,C6H3F3,,,,,,PEBWOGPSYUIOBP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.080,206-687-5,367-25-9,"2,4-difluoroaniline","2,4-difluoroaniline",Nc1ccc(F)cc1F,Nc1ccc(F)cc1F,"InChI=1/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",C6H5F2N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8342,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.080,CEPCPXLLFXPZGW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.082,206-689-6,367-29-3,5-fluoro-o-toluidine,5-fluoro-2-methylaniline,Cc1ccc(F)cc1N,Cc1ccc(F)cc1N,"InChI=1/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3",C7H8FN,,,,,,JLCDTNNLXUMYFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.085,206-692-2,367-34-0,"2,4,5-trifluoroaniline","2,4,5-trifluoroaniline",Nc1cc(F)c(F)cc1F,Nc1cc(F)c(F)cc1F,"InChI=1/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2",C6H4F3N,,,,,,QMYVWJVVVMIBMM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.087,206-694-3,367-46-4,Fluorodimethoxyborane,dimethyl fluoroborate,COB(F)OC,COB(F)OC,InChI=1/C2H6BFO2/c1-5-3(4)6-2/h1-2H3,C2H6BFO2,,,,,,LOGBIHSWKLLNDY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.089,206-696-4,367-51-1,Sodium mercaptoacetate,sodium sulfanylacetate,[Na+].[O-]C(=O)CS,[Na+].[O-]C(=O)CS,"InChI=1/C2H4O2S.Na/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+1/p-1",C2H4O2S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14520,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.089,GNBVPFITFYNRCN-UHFFFAOYSA-M,,,,,,,,,,,
100.006.093,206-702-5,367-86-2,"3-nitro-a,a,a,4-tetrafluorotoluene",1-fluoro-2-nitro-4-(trifluoromethyl)benzene,[O-][N+](=O)c1cc(ccc1F)C(F)(F)F,[O-][N+](=O)c1cc(ccc1F)C(F)(F)F,"InChI=1/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H",C7H3F4NO2,,,,,,HLDFCCHSOZWKAA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.100,206-709-3,368-66-1,"2,4,6-tris(trifluoromethyl)-1,3,5-triazine","2,4,6-tris(trifluoromethyl)-1,3,5-triazine",FC(F)(F)c1nc(nc(n1)C(F)(F)F)C(F)(F)F,FC(F)(F)c1nc(nc(n1)C(F)(F)F)C(F)(F)F,"InChI=1/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15",C6F9N3,,,,,,LSGBKABSSSIRJF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.101,206-710-9,368-72-9,3-amino-4-chlorobenzenesulphonyl fluoride,3-amino-4-chlorobenzenesulfonyl fluoride,Nc1cc(ccc1Cl)S(=O)(=O)F,Nc1cc(ccc1Cl)S(=O)(=O)F,"InChI=1/C6H5ClFNO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H,9H2",C6H5ClFNO2S,,,,,,HNZYBSQZUOJCDN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.106,206-716-1,369-07-3,2-nitrophenyl-beta-D-galactopyranoside,2-nitrophenyl hexopyranoside,OCC1OC(Oc2ccccc2[N+](=O)[O-])C(O)C(O)C1O,OCC1OC(Oc2ccccc2[N+](=O)[O-])C(O)C(O)C1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,KUWPCJHYPSUOFW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.111,206-721-9,369-58-4,Benzenediazonium hexafluorophosphate,benzenediazonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.N#[N+]c1ccccc1,F[P-](F)(F)(F)(F)F.N#[N+]c1ccccc1,"InChI=1/C6H5N2.F6P/c7-8-6-4-2-1-3-5-6;1-7(2,3,4,5)6/h1-5H;/q+1;-1",C6H5N2.F6P,,,,,,GIDPFONPWSEBOB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.088,212-197-2,768-58-1,"2-ethyl-5,5-dimethyl-1,3-dioxane","2-ethyl-5,5-dimethyl-1,3-dioxane",CCC1OCC(C)(C)CO1,CCC1OCC(C)(C)CO1,"InChI=1/C8H16O2/c1-4-7-9-5-8(2,3)6-10-7/h7H,4-6H2,1-3H3",C8H16O2,,,,,,QSHOOPIYPOINNH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.093,212-202-8,768-95-6,"Tricyclo[3.3.1.13,7]decan-1-ol",adamantan-1-ol,OC12CC3CC(CC(C3)C1)C2,OC12CC3CC(CC(C3)C1)C2,"InChI=1/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2",C10H16O,,,,,,VLLNJDMHDJRNFK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.096,212-205-4,769-25-5,"2,4,6-trimethylstyrene","1,3,5-trimethyl-2-vinylbenzene",Cc1cc(C)c(C=C)c(C)c1,Cc1cc(C)c(C=C)c(C)c1,"InChI=1/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3",C11H14,,,,,,PDELBHCVXBSVPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.098,212-208-0,769-32-4,"3,4,5,6,7,8-hexahydroazulen-1(2H)-one","3,4,5,6,7,8-hexahydroazulen-1(2H)-one",O=C1CCC2=C1CCCCC2,O=C1CCC2=C1CCCCC2,InChI=1/C10H14O/c11-10-7-6-8-4-2-1-3-5-9(8)10/h1-7H2,C10H14O,,,,,,YOKZDALFYWMEHH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.100,212-210-1,769-40-4,"2,3,5,6-tetrafluorobenzenethiol","2,3,5,6-tetrafluorobenzenethiol",Fc1cc(F)c(F)c(S)c1F,Fc1cc(F)c(F)c(S)c1F,"InChI=1/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H",C6H2F4S,,,,,,IGOGJHYWSOZGAE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.101,212-211-7,769-42-6,"1,3-dimethylbarbituric acid","1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione",CN1C(=O)CC(=O)N(C)C1=O,CN1C(=O)CC(=O)N(C)C1=O,"InChI=1/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3",C6H8N2O3,,,,,,VVSASNKOFCZVES-UHFFFAOYSA-N,,,,,,,,,,,
100.011.107,212-218-5,770-09-2,Benzyltrimethylsilane,benzyl(trimethyl)silane,C[Si](C)(C)Cc1ccccc1,C[Si](C)(C)Cc1ccccc1,"InChI=1/C10H16Si/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3",C10H16Si,,,,,,MRIWRLGWLMRJIW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.109,212-220-6,770-12-7,Phenyl phosphorodichloridate,phenyl dichlorophosphate,ClP(=O)(Cl)Oc1ccccc1,ClP(=O)(Cl)Oc1ccccc1,"InChI=1/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H",C6H5Cl2O2P,,,,,,TXFOLHZMICYNRM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.891,213-079-3,922-63-4,2-ethylacrylaldehyde,2-methylenebutanal,CCC(=C)C=O,CCC(=C)C=O,"InChI=1/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3",C5H8O,,,,,,GMLDCZYTIPCVMO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.896,213-085-6,922-80-5,"Sodium 1,2-bis(pentyloxycarbonyl)ethanesulphonate","sodium 1,4-dioxo-1,4-bis(pentyloxy)butane-2-sulfonate",[Na+].CCCCCOC(=O)CC(C(=O)OCCCCC)S(=O)(=O)[O-],[Na+].CCCCCOC(=O)CC(C(=O)OCCCCC)S(=O)(=O)[O-],"InChI=1/C14H26O7S.Na/c1-3-5-7-9-20-13(15)11-12(22(17,18)19)14(16)21-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1/p-1",C14H26O7S.Na,,,,,,UMEWSJNRBXKWKZ-UHFFFAOYSA-M,,,,,,,,,,,
100.011.906,213-096-6,923-37-5,N-(aminocarbonyl)-DL-aspartic acid,N-carbamoyl-L-aspartic acid,NC(=O)N[C@@H](CC(O)=O)C(=O)O,NC(=O)N[C@@H](CC(O)=O)C(=O)O,"InChI=1/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)",C5H8N2O5,,,,,,HLKXYZVTANABHZ-REOHCLBHSA-N,,,,,,,,,,,
100.011.907,213-097-1,923-61-5,"(R)-1-[[[(2-aminoethoxy)hydroxyphosphinoyl]oxy]methyl]ethane-1,2-diyl dihexadecanoate","3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)",C37H74NO8P,,,,,,SLKDGVPOSSLUAI-PGUFJCEWSA-N,,,,,,,,,,,
100.011.911,213-101-1,924-16-3,N-nitrosodibutylamine,N-butyl-N-nitrosobutan-1-amine,CCCCN(CCCC)N=O,CCCCN(CCCC)N=O,"InChI=1/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3",C8H18N2O,,,,,,YGJHZCLPZAZIHH-UHFFFAOYSA-N,Positive,EQ346001|EQ346002|EQ346003|EQ346004|EQ346005|EQ346006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,57.0699:159.1492:103.0866|57.0699:159.1492:103.0866|57.0699:103.0866:159.1493|57.0699:103.0866:53.0022|57.0699:53.0022:55.0542|57.0699:53.0022:55.0542,Eawag,,,,,
100.011.914,213-104-8,924-43-6,sec-butyl nitrite,sec-butyl nitrite,CCC(C)ON=O,CCC(C)ON=O,"InChI=1/C4H9NO2/c1-3-4(2)7-5-6/h4H,3H2,1-2H3",C4H9NO2,,,,,,NFGNZNFBQAGBJA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.922,213-113-7,925-06-4,Diisobutyl succinate,diisobutyl succinate,CC(C)COC(=O)CCC(=O)OCC(C)C,CC(C)COC(=O)CCC(=O)OCC(C)C,"InChI=1/C12H22O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h9-10H,5-8H2,1-4H3",C12H22O4,,,,,,QCOAPBRVQHMEPF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.931,213-123-1,925-73-5,(Z)-3-methylpent-2-en-1-yl acetate,3-methylpent-2-en-1-yl acetate,CC\\C(=C/COC(=O)C)\\C,CC\C(=C/COC(=O)C)\C,"InChI=1/C8H14O2/c1-4-7(2)5-6-10-8(3)9/h5H,4,6H2,1-3H3",C8H14O2,,,,,,IJCQHJBYPARIAQ-ALCCZGGFSA-N,,,,,,,,,,,
100.011.937,213-129-4,925-94-0,Formic [2H]acid,formic acid,OC=O,OC=O,"InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)",CHDO2,,,,,,BDAGIHXWWSANSR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.941,213-134-1,926-25-0,2-ammonio-1-methylethyl sulphate,2-amino-1-methylethyl hydrogen sulfate,CC(CN)OS(O)(=O)=O,CC(CN)OS(O)(=O)=O,"InChI=1/C3H9NO4S/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H,5,6,7)",C3H9NO4S,,,,,,FUJGHFAISHTYGC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.075,206-681-2,367-12-4,2-fluorophenol,2-fluorophenol,Oc1ccccc1F,Oc1ccccc1F,"InChI=1/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5FO,,,,,,HFHFGHLXUCOHLN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.079,206-685-4,367-24-8,4-bromo-2-fluoroaniline,4-bromo-2-fluoroaniline,Nc1ccc(Br)cc1F,Nc1ccc(Br)cc1F,"InChI=1/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",C6H5BrFN,,,,,,GZRMNMGWNKSANY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.081,206-688-0,367-27-1,"2,4-difluorophenol","2,4-difluorophenol",Oc1ccc(F)cc1F,Oc1ccc(F)cc1F,"InChI=1/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",C6H4F2O,,,,,,NVWVWEWVLBKPSM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.094,206-703-0,367-93-1,Isopropyl-ß-D-thiogalactopyranoside,isopropyl 1-thio-beta-D-galactopyranoside,CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3",C9H18O5S,,,,,,BPHPUYQFMNQIOC-NXRLNHOXSA-N,,,,,,,,,,,
100.006.096,206-705-1,368-39-8,Triethyloxonium tetrafluoroborate(1-),triethyloxonium tetrafluoroborate,CC[O+](CC)CC.F[B-](F)(F)F,CC[O+](CC)CC.F[B-](F)(F)F,"InChI=1/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1",C6H15O.BF4,,,,,,IYDQMLLDOVRSJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.097,206-706-7,368-40-1,Triethylsulphonium tetrafluoroborate(1-),triethylsulfonium tetrafluoroborate,CC[S+](CC)CC.F[B-](F)(F)F,CC[S+](CC)CC.F[B-](F)(F)F,"InChI=1/C6H15S.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1",C6H15S.BF4,,,,,,ZHCOPRRLRPZVDR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.098,206-707-2,368-43-4,Benzenesulphonyl fluoride,benzenesulfonyl fluoride,FS(=O)(=O)c1ccccc1,FS(=O)(=O)c1ccccc1,"InChI=1/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",C6H5FO2S,,,,,,IDIPWEYIBKUDNY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.103,206-713-5,368-78-5,[3-(trifluoromethyl)phenyl]hydrazine,[3-(trifluoromethyl)phenyl]hydrazine,NNc1cccc(c1)C(F)(F)F,NNc1cccc(c1)C(F)(F)F,"InChI=1/C7H7F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4,12H,11H2",C7H7F3N2,,,,,,RSESUCWJKLHXEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.108,206-718-2,369-34-6,"1,2-difluoro-4-nitrobenzene","1,2-difluoro-4-nitrobenzene",[O-][N+](=O)c1ccc(F)c(F)c1,[O-][N+](=O)c1ccc(F)c(F)c1,InChI=1/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,C6H3F2NO2,,,,,,RUBQQRMAWLSCCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.109,206-719-8,369-35-7,2-fluoro-4-nitroaniline,2-fluoro-4-nitroaniline,Nc1ccc(cc1F)[N+](=O)[O-],Nc1ccc(cc1F)[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2",C6H5FN2O2,,,,,,LETNCFZQCNCACQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.112,206-722-4,369-68-6,3-[(trifluoromethyl)thio]aniline,3-[(trifluoromethyl)sulfanyl]aniline,Nc1cccc(SC(F)(F)F)c1,Nc1cccc(SC(F)(F)F)c1,"InChI=1/C7H6F3NS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2",C7H6F3NS,,,,,,DENPAKQJZNDKEL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.114,206-725-0,370-14-9,Pholedrine,4-[2-(methylamino)propyl]phenol,CNC(C)Cc1ccc(O)cc1,CNC(C)Cc1ccc(O)cc1,"InChI=1/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3",C10H15NO,,,,,,SBUQZKJEOOQSBV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.119,206-730-8,370-86-5,[[4-(trifluoromethoxy)phenyl]hydrazono]malononitrile,{[4-(trifluoromethoxy)phenyl]hydrazono}malononitrile,FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1,FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1,"InChI=1/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H",C10H5F3N4O,,,,,,BMZRVOVNUMQTIN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.120,206-731-3,370-98-9,p-[2-(methylamino)ethyl]phenol,4-[2-(methylamino)ethyl]phenol,CNCCc1ccc(O)cc1,CNCCc1ccc(O)cc1,"InChI=1/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3",C9H13NO,,,,,,AXVZFRBSCNEKPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.123,206-735-5,371-40-4,4-fluoroaniline,4-fluoroaniline,Nc1ccc(F)cc1,Nc1ccc(F)cc1,"InChI=1/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",C6H6FN,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12126,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.123,KRZCOLNOCZKSDF-UHFFFAOYSA-N,Positive,SM805401,[M+H]+,HCD35,112.0556:92.0494:123.0353,CASMI_2016,,,,,
100.006.124,206-736-0,371-41-5,4-fluorophenol,4-fluorophenol,Oc1ccc(F)cc1,Oc1ccc(F)cc1,"InChI=1/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H",C6H5FO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12102,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.124,RHMPLDJJXGPMEX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.129,206-741-8,371-69-7,Ethyl fluorosulphonate,ethyl fluorosulfate,CCOS(=O)(=O)F,CCOS(=O)(=O)F,"InChI=1/C2H5FO3S/c1-2-6-7(3,4)5/h2H2,1H3",C2H5FO3S,,,,,,KRRYGFCJUCTWMH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.137,206-750-7,372-31-6,"Ethyl 4,4,4-trifluoroacetoacetate","ethyl 4,4,4-trifluoro-3-oxobutanoate",CCOC(=O)CC(=O)C(F)(F)F,CCOC(=O)CC(=O)C(F)(F)F,"InChI=1/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3",C6H7F3O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12161,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.137,OCJKUQIPRNZDTK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.141,206-754-9,372-46-3,Fluorocyclohexane,fluorocyclohexane,FC1CCCCC1,FC1CCCCC1,"InChI=1/C6H11F/c7-6-4-2-1-3-5-6/h6H,1-5H2",C6H11F,,,,,,GOBGVVAHHOUMDK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.148,206-762-2,373-04-6,6-aminohexanamide,6-aminohexanamide,NCCCCCC(=O)N,NCCCCCC(=O)N,"InChI=1/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9)",C6H14N2O,,,,,,ZLHYDRXTDZFRDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.750,204-124-8,116-09-6,Hydroxyacetone,1-hydroxyacetone,CC(=O)CO,CC(=O)CO,"InChI=1/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3",C3H6O2,,,,,,XLSMFKSTNGKWQX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.762,204-137-9,116-37-0,"1,1'-isopropylidenebis(p-phenyleneoxy)dipropan-2-ol","1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]dipropan-2-ol",CC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(C)O)cc2,CC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(C)O)cc2,"InChI=1/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3",C21H28O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13339,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.762,MIUUNYUUEFHIHM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.765,204-141-0,116-43-8,Succinylsulfathiazole,"4-oxo-4-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino}butanoic acid",OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,"InChI=1/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)",C13H13N3O5S2,,,,,,SKVLYVHULOWXTD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.767,204-143-1,116-49-4,Glycobiarsol,2-hydroxy-N-(4-{hydroxy[(oxobismuthino)oxy]arsoryl}phenyl)acetamide,OCC(=O)Nc1ccc(cc1)[As](=O)(O)O[Bi]=O,OCC(=O)Nc1ccc(cc1)[As](=O)(O)O[Bi]=O,"InChI=1/C8H10AsNO5.Bi.O/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);;/q;+1;/p-1/rC8H9AsBiNO6/c12-5-8(13)11-7-3-1-6(2-4-7)9(14,15)17-10-16/h1-4,12H,5H2,(H,11,13)(H,14,15)",C8H9AsBiNO6,,,,,,FATAHBJTOKXSDH-UHFFFAOYSA-M,,,,,,,,,,,
100.003.773,204-149-4,116-66-5,"1,1,3,3,5-pentamethyl-4,6-dinitroindan","1,1,3,3,5-pentamethyl-4,6-dinitroindane",Cc1c(cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C)[N+](=O)[O-],Cc1c(cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C)[N+](=O)[O-],"InChI=1/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3",C14H18N2O4,,,,,,UHWURQRPEIFIAK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.774,204-151-5,116-70-1,16-aminoviolanthrone,"16-aminoanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",Nc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9ccc(c1c5c24)c6c79,Nc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9ccc(c1c5c24)c6c79,"InChI=1/C34H17NO2/c35-27-15-26-17-6-2-4-8-22(17)34(37)25-14-11-20-19-10-13-24-29-18(16-5-1-3-7-21(16)33(24)36)9-12-23(28(19)29)31(27)32(20)30(25)26/h1-15H,35H2",C34H17NO2,,,,,,QTISTTPDRYSKGV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.777,204-154-1,116-74-5,"1,4-bis[(2,4,6-triethylphenyl)amino]anthraquinone","1,4-bis[(2,4,6-triethylphenyl)amino]-9,10-anthraquinone",CCc1cc(CC)c(Nc2ccc(Nc3c(CC)cc(CC)cc3CC)c4C(=O)c5ccccc5C(=O)c24)c(CC)c1,CCc1cc(CC)c(Nc2ccc(Nc3c(CC)cc(CC)cc3CC)c4C(=O)c5ccccc5C(=O)c24)c(CC)c1,"InChI=1/C38H42N2O2/c1-7-23-19-25(9-3)35(26(10-4)20-23)39-31-17-18-32(40-36-27(11-5)21-24(8-2)22-28(36)12-6)34-33(31)37(41)29-15-13-14-16-30(29)38(34)42/h13-22,39-40H,7-12H2,1-6H3",C38H42N2O2,,,,,,ODDMIDRERDTWDF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.779,204-156-2,116-76-7,"1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]anthraquinone","1,4-bis[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Nc4ccc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)c8C(=O)c9ccccc9C(=O)c48)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)c8C(=O)c9ccccc9C(=O)c48)cccc13,"InChI=1/C42H22N2O6/c45-37-21-9-1-3-11-23(21)39(47)33-27(37)15-7-17-29(33)43-31-19-20-32(36-35(31)41(49)25-13-5-6-14-26(25)42(36)50)44-30-18-8-16-28-34(30)40(48)24-12-4-2-10-22(24)38(28)46/h1-20,43-44H",C42H22N2O6,,,,,,APWOKAUQXMGVOF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.780,204-157-8,116-77-8,1-amino-2-methyl-4-[(4-methylphenyl)amino]anthraquinone,"1-amino-2-methyl-4-[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)cc1,Cc1ccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C22H18N2O2/c1-12-7-9-14(10-8-12)24-17-11-13(2)20(23)19-18(17)21(25)15-5-3-4-6-16(15)22(19)26/h3-11,24H,23H2,1-2H3",C22H18N2O2,,,,,,BYGSHXHLDPUXIF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.790,204-168-8,117-05-5,"N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide","N-(5-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",Clc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,Clc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,"InChI=1/C21H12ClNO3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,(H,23,26)",C21H12ClNO3,,,,,,VDCUNNJIPITONP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.794,204-173-5,117-10-2,Dantron,"1,8-dihydroxy-9,10-anthraquinone",Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12,Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12,"InChI=1/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H",C14H8O4,,,,,,QBPFLULOKWLNNW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.800,204-179-8,117-21-5,3-chlorophthalic anhydride,"4-chloro-2-benzofuran-1,3-dione",Clc1cccc2C(=O)OC(=O)c12,Clc1cccc2C(=O)OC(=O)c12,InChI=1/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,C8H3ClO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11567,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.800,UERPUZBSSSAZJE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.804,204-184-5,117-33-9,"7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonic acid","7-hydroxy-8-({4'-[(4-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)naphthalene-1,3-disulfonic acid",Oc1ccc(cc1)N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c5c(ccc4O)cc(cc5S(O)(=O)=O)S(O)(=O)=O,Oc1ccc(cc1)N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c5c(ccc4O)cc(cc5S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C28H20N4O8S2/c33-23-12-10-22(11-13-23)30-29-20-6-1-17(2-7-20)18-3-8-21(9-4-18)31-32-28-25(34)14-5-19-15-24(41(35,36)37)16-26(27(19)28)42(38,39)40/h1-16,33-34H,(H,35,36,37)(H,38,39,40)",C28H20N4O8S2,,,,,,GWPGBRYJVGKLHH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.118,206-729-2,370-81-0,"N,N-oxalylbis(cyclohexanone hydrazone)","N'~1~,N'~2~-dicyclohexylideneethanedihydrazide",O=C(NN=C1CCCCC1)C(=O)NN=C2CCCCC2,O=C(NN=C1CCCCC1)C(=O)NN=C2CCCCC2,"InChI=1/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)",C14H22N4O2,,,,,,DSRJIHMZAQEUJV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.131,206-743-9,372-09-8,Cyanoacetic acid,2-oxopropanenitrile,N#CC(C)=O,N#CC(C)=O,InChI=1/C3H3NO/c1-3(5)2-4/h1H3,C3H3NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13908,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.131,QLDHWVVRQCGZLE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.132,206-744-4,372-16-7,4-[(trifluoromethyl)thio]aniline,4-[(trifluoromethyl)sulfanyl]aniline,Nc1ccc(SC(F)(F)F)cc1,Nc1ccc(SC(F)(F)F)cc1,"InChI=1/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2",C7H6F3NS,,,,,,OHHHTUXVBNGOGI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.135,206-748-6,372-20-3,3-fluorophenol,3-fluorophenol,Oc1cccc(F)c1,Oc1cccc(F)c1,"InChI=1/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H",C6H5FO,,,,,,SJTBRFHBXDZMPS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.136,206-749-1,372-25-8,"1,1,1,5,5,5-hexafluoro-4-methylpent-3-en-2-one","1,1,1,5,5,5-hexafluoro-4-methylpent-3-en-2-one",FC(F)(F)C(=O)C=C(C)C(F)(F)F,FC(F)(F)C(=O)C=C(C)C(F)(F)F,"InChI=1/C6H4F6O/c1-3(5(7,8)9)2-4(13)6(10,11)12/h2H,1H3",C6H4F6O,,,,,,WRMWSVCCMDLQCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.138,206-751-2,372-38-3,"1,3,5-trifluorobenzene","1,3,5-trifluorobenzene",Fc1cc(F)cc(F)c1,Fc1cc(F)cc(F)c1,InChI=1/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H,C6H3F3,,,,,,JXUKFFRPLNTYIV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.142,206-755-4,372-47-4,3-fluoropyridine,3-fluoropyridine,Fc1cccnc1,Fc1cccnc1,InChI=1/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H,C5H4FN,,,,,,CELKOWQJPVJKIL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.144,206-758-0,372-66-7,Heptaminol,6-amino-2-methylheptan-2-ol,CC(N)CCCC(C)(C)O,CC(N)CCCC(C)(C)O,"InChI=1/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3",C8H19NO,,,,,,LREQLEBVOXIEOM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.155,206-770-6,373-74-0,Trifluoromethylsilane,(trifluoromethyl)silane,FC(F)(F)[SiH3],FC(F)(F)[SiH3],"InChI=1/CH3F3Si/c2-1(3,4)5/h5H3",CH3F3Si,,,,,,KIEXGUUJAYEUSM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.159,206-774-8,374-07-2,"1,1-dichloro-1,2,2,2-tetrafluoroethane","1,1-dichloro-1,2,2,2-tetrafluoroethane",FC(F)(F)C(F)(Cl)Cl,FC(F)(F)C(F)(Cl)Cl,"InChI=1/C2Cl2F4/c3-1(4,5)2(6,7)8",C2Cl2F4,,,,,,BAMUEXIPKSRTBS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.162,206-777-4,374-60-7,Undecafluoro(nonafluorobutyl)cyclohexane,undecafluoro(nonafluorobutyl)cyclohexane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C10F20/c11-1(4(16,17)7(22,23)9(26,27)10(28,29)30)2(12,13)5(18,19)8(24,25)6(20,21)3(1,14)15",C10F20,,,,,,XZZGMFAUFIVEGL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.173,206-790-5,375-62-2,Perfluorovaleryl fluoride,nonafluoropentanoyl fluoride,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5F10O/c6-1(16)2(7,8)3(9,10)4(11,12)5(13,14)15",C5F10O,,,,,,RUFSXELMOQBMOF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.192,206-810-2,376-50-1,Diethyl octafluoroadipate,diethyl octafluorohexanedioate,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC,"InChI=1/C10H10F8O4/c1-3-21-5(19)7(11,12)9(15,16)10(17,18)8(13,14)6(20)22-4-2/h3-4H2,1-2H3",C10H10F8O4,,,,,,UBMQHNSEGKYMTP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.195,206-813-9,376-73-8,Hexafluoroglutaric acid,hexafluoropentanedioic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O,"InChI=1/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)",C5H2F6O4,,,,,,CCUWGJDGLACFQT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.197,206-816-5,376-84-1,"2,2,3,3,4,4,5,5-octafluoropentyl acrylate","2,2,3,3,4,4,5,5-octafluoropentyl acrylate",FC(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C8H6F8O2/c1-2-4(17)18-3-6(11,12)8(15,16)7(13,14)5(9)10/h2,5H,1,3H2",C8H6F8O2,,,,,,WISUNKZXQSKYMR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.200,206-819-1,376-90-9,"2,2,3,3,4,4-hexafluoropentane-1,5-diol","2,2,3,3,4,4-hexafluoropentane-1,5-diol",OCC(F)(F)C(F)(F)C(F)(F)CO,OCC(F)(F)C(F)(F)C(F)(F)CO,"InChI=1/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2",C5H6F6O2,,,,,,IELVMUPSWDZWSD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.203,206-822-8,378-03-0,"2,2,3,3-tetrafluoro-3-(heptafluoropropoxy)propionic acid","2,2,3,3-tetrafluoro-3-(heptafluoropropoxy)propanoic acid",OC(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6HF11O3/c7-2(8,1(18)19)5(14,15)20-6(16,17)3(9,10)4(11,12)13/h(H,18,19)",C6HF11O3,,,,,,MPQDGDVBZJSJIA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.206,206-825-4,378-44-9,Betamethasone,"9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3",C22H29FO5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13677,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.206,UREBDLICKHMUKA-DVTGEIKXSA-N,,,,,,,,,,,
100.009.477,210-423-4,615-41-8,1-chloro-2-iodobenzene,1-chloro-2-iodobenzene,Clc1ccccc1I,Clc1ccccc1I,InChI=1/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4ClI,,,,,,MPEOPBCQHNWNFB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.479,210-426-0,615-43-0,2-iodoaniline,2-iodoaniline,Nc1ccccc1I,Nc1ccccc1I,"InChI=1/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",C6H6IN,,,,,,UBPDKIDWEADHPP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.480,210-427-6,615-46-3,"2-chlorobenzene-1,4-diammonium dichloride","2-chlorobenzene-1,4-diamine",Nc1ccc(N)c(Cl)c1,Nc1ccc(N)c(Cl)c1,"InChI=1/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2",C6H7ClN2.2ClH,,,,,,MGLZGLAFFOMWPB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.481,210-428-1,615-47-4,"Benzene-1,2,4-triyltriamine dihydrochloride","benzene-1,2,4-triamine dihydrochloride",Cl.Cl.Nc1ccc(N)c(N)c1,Cl.Cl.Nc1ccc(N)c(N)c1,"InChI=1/C6H9N3.2ClH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H,7-9H2;2*1H",C6H9N3.2ClH,,,,,,RKMFFOLUBJFMBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.487,210-434-4,615-57-6,"2,4-dibromoaniline","2,4-dibromoaniline",Nc1ccc(Br)cc1Br,Nc1ccc(Br)cc1Br,"InChI=1/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",C6H5Br2N,,,,,,DYSRXWYRUJCNFI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.488,210-436-5,615-58-7,"2,4-dibromophenol","2,4-dibromophenol",Oc1ccc(Br)cc1Br,Oc1ccc(Br)cc1Br,"InChI=1/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",C6H4Br2O,,,,,,FAXWFCTVSHEODL-UHFFFAOYSA-N,Negative,,,,,,SM800653,[M-H]-,HCD35,248.8557:168.9295,CASMI_2016
100.009.491,210-439-1,615-62-3,3-chloro-p-cresol,3-chloro-4-methylphenol,Cc1ccc(O)cc1Cl,Cc1ccc(O)cc1Cl,"InChI=1/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3",C7H7ClO,,,,,,VQZRLBWPEHFGCD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.500,210-449-6,615-82-7,N-DL-leucylglycine,L-leucylglycine,CC(C)C[C@H](N)C(=O)NCC(=O)O,CC(C)C[C@H](N)C(=O)NCC(=O)O,"InChI=1/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)",C8H16N2O3,,,,,,LESXFEZIFXFIQR-LURJTMIESA-N,,,,,,,,,,,
100.009.502,210-451-7,615-84-9,"N,N'-diethyloxamide","N,N'-diethylethanediamide",CCNC(=O)C(=O)NCC,CCNC(=O)C(=O)NCC,"InChI=1/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)",C6H12N2O2,,,,,,FFYAVOJIYAAUNX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.504,210-453-8,615-93-0,"2,5-dichloro-p-benzoquinone","2,5-dichloro-1,4-benzoquinone",ClC1=CC(=O)C(=CC1=O)Cl,ClC1=CC(=O)C(=CC1=O)Cl,InChI=1/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,C6H2Cl2O2,,,,,,LNXVNZRYYHFMEY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.509,210-459-0,616-02-4,Citraconic anhydride,"3-methylfuran-2,5-dione",O=C1\\C=C(\\C)C(=O)O1,O=C1\C=C(\C)C(=O)O1,"InChI=1/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3",C5H4O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16057,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.509,AYKYXWQEBUNJCN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.510,210-460-6,616-04-6,"1-methyldiazolidine-2,4-dione","1-methylimidazolidine-2,4-dione",CN1CC(=O)NC1=O,CN1CC(=O)NC1=O,"InChI=1/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)",C4H6N2O2,,,,,,RHYBFKMFHLPQPH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.513,210-463-2,616-07-9,DL-ornithine,ornithine,NCCCC(N)C(=O)O,NCCCC(N)C(=O)O,"InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",C5H12N2O2,,,,,,AHLPHDHHMVZTML-UHFFFAOYSA-N,,,,,,,,,,,
100.009.516,210-466-9,616-13-7,1-chloro-2-methylbutane,1-chloro-2-methylbutane,CCC(C)CCl,CCC(C)CCl,"InChI=1/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3",C5H11Cl,,,,,,IWAKWOFEHSYKSI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.518,210-469-5,616-21-7,"1,2-dichlorobutane","1,2-dichlorobutane",CCC(Cl)CCl,CCC(Cl)CCl,"InChI=1/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3",C4H8Cl2,,,,,,PQBOTZNYFQWRHU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.334,211-366-8,640-61-9,N-methyltoluene-4-sulphonamide,"N,4-dimethylbenzenesulfonamide",CNS(=O)(=O)c1ccc(C)cc1,CNS(=O)(=O)c1ccc(C)cc1,"InChI=1/C8H11NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3-6,9H,1-2H3",C8H11NO2S,,,,,,GWLOGZRVYXAHRE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.337,211-369-4,640-87-9,"17-a,21-dihydroxypregn-4-ene-3,20-dione 21-acetate","17-hydroxy-3,20-dioxopregn-4-en-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H32O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,27H,4-11,13H2,1-3H3",C23H32O5,,,,,,HPAKILCZTKWIFK-JZTHCNPZSA-N,,,,,,,,,,,
100.010.338,211-371-5,641-12-3,"(R*,R*)-(+)-9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid","4,4',5,5'-tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid",OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(C4c5cccc(O)c5C(=O)c6c(O)cc(cc46)C(=O)O)c2c1,OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(C4c5cccc(O)c5C(=O)c6c(O)cc(cc46)C(=O)O)c2c1,"InChI=1/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)",C30H18O10,,,,,,JPMRHWLJLNKRTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.150,206-764-3,373-44-4,Octamethylenediamine,"octane-1,8-diamine",NCCCCCCCCN,NCCCCCCCCN,InChI=1/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2,C8H20N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12396,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.150,PWGJDPKCLMLPJW-UHFFFAOYSA-N,Positive,ML000401,[M+H]+,HCD50,128.1433:145.1699:111.1166,MetaboLights,,,,,
100.006.151,206-765-9,373-49-9,(Z)-hexadec-9-enoic acid,hexadec-9-enoic acid,CCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)",C16H30O2,,,,,,SECPZKHBENQXJG-FPLPWBNLSA-N,,,,,,,,,,,
100.006.158,206-773-2,374-01-6,"1,1,1-trifluoropropan-2-ol","1,1,1-trifluoropropan-2-ol",CC(O)C(F)(F)F,CC(O)C(F)(F)F,"InChI=1/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3",C3H5F3O,,,,,,GILIYJDBJZWGBG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.161,206-776-9,374-40-3,"3,3,4,4,4-pentafluorobutan-2-ol","3,3,4,4,4-pentafluorobutan-2-ol",CC(O)C(F)(F)C(F)(F)F,CC(O)C(F)(F)C(F)(F)F,"InChI=1/C4H5F5O/c1-2(10)3(5,6)4(7,8)9/h2,10H,1H3",C4H5F5O,,,,,,BUGIAHXXBFVPGW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.170,206-786-3,375-22-4,Heptafluorobutyric acid,heptafluorobutanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)",C4HF7O2,,,,,,YPJUNDFVDDCYIH-UHFFFAOYSA-N,Negative,,,,,,SM823751;EA271351|EA271352|EA271353|EA271357|EA271358|EA271359|EA271360,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD90|HCD15|HCD30|HCD45,168.9894:212.979;168.9896:212.9789|168.9896:212.9791|168.9897|168.9897|168.9893:212.9784|168.9893|168.9892,CASMI_2016;Eawag
100.006.171,206-787-9,375-34-8,"2,2,3,3-tetrachlorohexafluorobutane","2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane",FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F,FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F,"InChI=1/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",C4Cl4F6,,,,,,BZBLUUDREZEDDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.175,206-792-6,375-72-4,"1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonyl fluoride","1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16",C4F10O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10698,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.175,LUYQYZLEHLTPBH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.177,206-794-7,375-80-4,"1,6-diiodoperfluorohexane","1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane",FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C6F12I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20",C6F12I2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17751,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.177,JOQDDLBOAIKFQX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.189,206-807-6,376-22-7,Perfluoronon-1-ene,"1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoronon-1-ene",FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F,FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F,"InChI=1/C9F18/c10-1(2(11)12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27",C9F18,,,,,,UAFOIVDGAVVKTE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.190,206-808-1,376-27-2,Methyl perfluorooctanoate,methyl pentadecafluorooctanoate,COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3",C9H3F15O2,,,,,,XOCNYZFAMHDXJK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.198,206-817-0,376-87-4,Perfluoropent-1-ene,"1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene",FC(=C(F)C(F)(F)C(F)(F)C(F)(F)F)F,FC(=C(F)C(F)(F)C(F)(F)C(F)(F)F)F,"InChI=1/C5F10/c6-1(2(7)8)3(9,10)4(11,12)5(13,14)15",C5F10,,,,,,PBWHQPOHADDEFU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.207,206-827-5,378-59-6,"6-a-fluoro-17-a,21-dihydroxy-16-a-methylpregn-4-ene-3,20-dione","6-fluoro-17,21-dihydroxy-16-methylpregn-4-ene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H31FO4/c1-12-8-16-14-10-18(23)17-9-13(25)4-6-20(17,2)15(14)5-7-21(16,3)22(12,27)19(26)11-24/h9,12,14-16,18,24,27H,4-8,10-11H2,1-3H3",C22H31FO4,,,,,,OWHJNSYSENMCSN-QPUULIFRSA-N,,,,,,,,,,,
100.006.211,206-831-7,379-34-0,5-ethyl-5-(4'-hydroxyphenyl)barbituric acid monohydrate,"5-ethyl-5-(4-hydroxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(C(=O)NC(=O)NC1=O)c2ccc(O)cc2,CCC1(C(=O)NC(=O)NC1=O)c2ccc(O)cc2,"InChI=1/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)",C12H12N2O4,,,,,,IEPXMKJNWPXDBP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.214,206-834-3,379-68-0,"18,21-dihydroxypregn-4-ene-3,20-dione","18,21-dihydroxypregn-4-ene-3,20-dione",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(CO)[C@H]3CC[C@@H]4C(=O)CO,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(CO)[C@H]3CC[C@@H]4C(=O)CO,"InChI=1/C21H30O4/c1-20-8-6-14(24)10-13(20)2-3-15-16(20)7-9-21(12-23)17(15)4-5-18(21)19(25)11-22/h10,15-18,22-23H,2-9,11-12H2,1H3",C21H30O4,,,,,,VPJHREHKRNIYDB-TZGXILGRSA-N,,,,,,,,,,,
100.006.217,206-838-5,381-67-9,Methacryloyl fluoride,2-methylacryloyl fluoride,CC(=C)C(=O)F,CC(=C)C(=O)F,"InChI=1/C4H5FO/c1-3(2)4(5)6/h1H2,2H3",C4H5FO,,,,,,QPWDDANCLNNEQF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.811,204-191-3,117-45-3,"5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[8-[(phenylsulphonyl)oxy]-3,6-disulpho-1-naphthyl]azo]phenyl]azo]naphthalene-2,7-disulphonic acid","5-amino-4-hydroxy-3-{[2-methoxy-5-methyl-4-({8-[(phenylsulfonyl)oxy]-3,6-disulfo-1-naphthyl}diazenyl)phenyl]diazenyl}naphthalene-2,7-disulfonic acid",COc6cc(N=Nc3cc(cc2cc(cc(OS(=O)(=O)c1ccccc1)c23)S(O)(=O)=O)S(O)(=O)=O)c(C)cc6N=Nc5c(cc4cc(cc(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O,COc6cc(N=Nc3cc(cc2cc(cc(OS(=O)(=O)c1ccccc1)c23)S(O)(=O)=O)S(O)(=O)=O)c(C)cc6N=Nc5c(cc4cc(cc(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C34H27N5O17S5/c1-17-8-26(37-39-33-30(60(50,51)52)12-19-11-21(57(41,42)43)13-24(35)31(19)34(33)40)28(55-2)16-25(17)36-38-27-14-22(58(44,45)46)9-18-10-23(59(47,48)49)15-29(32(18)27)56-61(53,54)20-6-4-3-5-7-20/h3-16,40H,35H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)",C34H27N5O17S5,,,,,,ZATSCOAQBZUOPT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.813,204-193-4,117-47-5,Diethyl (1-methylbutyl)malonate,diethyl (1-methylbutyl)malonate,CCCC(C)C(C(=O)OCC)C(=O)OCC,CCCC(C)C(C(=O)OCC)C(=O)OCC,"InChI=1/C12H22O4/c1-5-8-9(4)10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3",C12H22O4,,,,,,RQFSNEWORATSCC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.816,204-197-6,117-56-6,"4-hydroxynaphthalene-1,5-disulphonic acid","4-hydroxynaphthalene-1,5-disulfonic acid",Oc1ccc(c2cccc(c12)S(=O)(=O)O)S(=O)(=O)O,Oc1ccc(c2cccc(c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O7S2/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)",C10H8O7S2,,,,,,XIQKALDENTUXBY-UHFFFAOYSA-N,,,,,,,,,,,
100.003.821,204-202-1,117-68-0,Guanosine 3'-(dihydrogen phosphate),"2-imino-9-(3-O-phosphonopentofuranosyl)-1,2,3,9-tetrahydro-6H-purin-6-one",OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3C(=O)NC(=N)Nc23,OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3C(=O)NC(=N)Nc23,"InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)",C10H14N5O8P,,,,,,ZDPUTNZENXVHJC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.822,204-203-7,117-69-1,4-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]-3-hydroxy-7-nitronaphthalene-1-sulphonic acid,4-[(6-amino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]-3-hydroxy-7-nitronaphthalene-1-sulfonic acid,OS(=O)(=O)c4cc1cc(N)ccc1c(O)c4N=Nc2c3ccc(cc3c(cc2O)S(O)(=O)=O)[N+]([O-])=O,OS(=O)(=O)c4cc1cc(N)ccc1c(O)c4N=Nc2c3ccc(cc3c(cc2O)S(O)(=O)=O)[N+]([O-])=O,"InChI=1/C20H14N4O10S2/c21-10-1-3-12-9(5-10)6-17(36(32,33)34)19(20(12)26)23-22-18-13-4-2-11(24(27)28)7-14(13)16(8-15(18)25)35(29,30)31/h1-8,25-26H,21H2,(H,29,30,31)(H,32,33,34)",C20H14N4O10S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11324,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.822,SFBLUULLOPIYCB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.826,204-207-9,117-78-2,"9,10-dioxoanthracene-2-carboxylic acid","9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1,OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)",C15H8O4,,,,,,ASDLSKCKYGVMAI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.828,204-210-5,117-80-6,Dichlone,"2,3-dichloro-1,4-naphthoquinone",ClC1=C(Cl)C(=O)c2ccccc2C1=O,ClC1=C(Cl)C(=O)c2ccccc2C1=O,InChI=1/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,C10H4Cl2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16993,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.828,SVPKNMBRVBMTLB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.829,204-211-0,117-81-7,Bis(2-ethylhexyl) phthalate,bis(2-ethylhexyl) phthalate,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC,"InChI=1/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3",C24H38O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15358,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.829,BJQHLKABXJIVAM-UHFFFAOYSA-N,Positive,SM818501,[M+H]+,HCD35,149.0235:71.0857:167.0341,CASMI_2016,,,,,
100.003.836,204-218-9,117-88-4,"3-[[2-(acetylamino)-4-aminophenyl]azo]naphthalene-1,5-disulphonic acid","3-[(2-acetamido-4-aminophenyl)diazenyl]naphthalene-1,5-disulfonic acid",OS(=O)(=O)c3cccc2c3cc(N=Nc1ccc(N)cc1NC(C)=O)cc2S(O)(=O)=O,OS(=O)(=O)c3cccc2c3cc(N=Nc1ccc(N)cc1NC(C)=O)cc2S(O)(=O)=O,"InChI=1/C18H16N4O7S2/c1-10(23)20-16-7-11(19)5-6-15(16)22-21-12-8-14-13(18(9-12)31(27,28)29)3-2-4-17(14)30(24,25)26/h2-9H,19H2,1H3,(H,20,23)(H,24,25,26)(H,27,28,29)",C18H16N4O7S2,,,,,,KOXYXBGVZGWXED-UHFFFAOYSA-N,,,,,,,,,,,
100.003.837,204-219-4,117-89-5,Trifluoperazine,10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine,CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3",C21H24F3N3S,,,,,,ZEWQUBUPAILYHI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.842,204-225-7,117-98-6,"1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl acetate","2-isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl acetate",CC1CC(OC(=O)C)C=C(C)C2CC(=C(C)C)CC12,CC1CC(OC(=O)C)C=C(C)C2CC(=C(C)C)CC12,"InChI=1/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3",C17H26O2,,,,,,UAVFEMBKDRODDE-UHFFFAOYSA-N,,,,,,,,,,,
100.003.843,204-226-2,117-99-7,2-hydroxybenzophenone,(2-hydroxyphenyl)(phenyl)methanone,Oc1ccccc1C(=O)c2ccccc2,Oc1ccccc1C(=O)c2ccccc2,"InChI=1/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H",C13H10O2,,,,,,HJIAMFHSAAEUKR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.208,206-828-0,378-75-6,Methyl pentafluoropropionate,methyl pentafluoropropanoate,COC(=O)C(F)(F)C(F)(F)F,COC(=O)C(F)(F)C(F)(F)F,"InChI=1/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3",C4H3F5O2,,,,,,JMKJCPUVEMZGEC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.216,206-836-4,380-94-9,"2-methyl-2,4,6-tris(trifluoromethyl)-2H-pyran","2-methyl-2,4,6-tris(trifluoromethyl)-2H-pyran",CC1(OC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F,CC1(OC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C9H5F9O/c1-6(9(16,17)18)3-4(7(10,11)12)2-5(19-6)8(13,14)15/h2-3H,1H3",C9H5F9O,,,,,,AWCLMRSGMJWGGT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.219,206-840-6,382-10-5,"3,3,3-trifluoro-2-(trifluoromethyl)propene","3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene",FC(F)(F)C(=C)C(F)(F)F,FC(F)(F)C(=C)C(F)(F)F,"InChI=1/C4H2F6/c1-2(3(5,6)7)4(8,9)10/h1H2",C4H2F6,,,,,,QMIWYOZFFSLIAK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.223,206-844-8,382-66-1,"9-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate","9-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl methanesulfonate",C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)C,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)C,"InChI=1/C22H29FO7S/c1-19-8-6-14(24)10-13(19)4-5-16-15-7-9-21(27,18(26)12-30-31(3,28)29)20(15,2)11-17(25)22(16,19)23/h6,8,10,15-17,25,27H,4-5,7,9,11-12H2,1-3H3",C22H29FO7S,,,,,,KAJUOVVZFKDIDI-SBTDHBFYSA-N,,,,,,,,,,,
100.006.230,206-852-1,383-64-2,S-ethyl trifluorothioacetate,S-ethyl trifluoroethanethioate,CCSC(=O)C(F)(F)F,CCSC(=O)C(F)(F)F,"InChI=1/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3",C4H5F3OS,,,,,,VGGUKFAVHPGNBF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.234,206-856-3,385-00-2,"2,6-difluorobenzoic acid","2,6-difluorobenzoic acid",OC(=O)c1c(F)cccc1F,OC(=O)c1c(F)cccc1F,"InChI=1/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)",C7H4F2O2,,,,,,ONOTYLMNTZNAQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.239,206-862-6,387-79-1,"3-ß,17-a-dihydroxypregn-5-en-20-one","3,17-dihydroxypregn-5-en-20-one",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3",C21H32O3,,,,,,JERGUCIJOXJXHF-TVWVXWENSA-N,,,,,,,,,,,
100.006.243,206-866-8,389-40-2,"2,3,4,5,6-pentafluoroanisole","1,2,3,4,5-pentafluoro-6-methoxybenzene",COc1c(F)c(F)c(F)c(F)c1F,COc1c(F)c(F)c(F)c(F)c1F,InChI=1/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3,C7H3F5O,,,,,,ZRQUIRABLIQJRI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.383,205-920-8,215-58-7,"Dibenz[a,c]anthracene",benzo[f]tetraphene,c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,InChI=1/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H,C22H14,,,,,,RAASUWZPTOJQAY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.387,205-925-5,220-77-9,"Naphtho[1,2-b]chrysene","dibenzo[c,k]tetraphene",c1ccc2c(c1)ccc3c2ccc4cc5c(ccc6ccccc56)cc34,c1ccc2c(c1)ccc3c2ccc4cc5c(ccc6ccccc56)cc34,InChI=1/C26H16/c1-3-7-21-18(6-1)11-13-24-23(21)14-12-20-15-25-19(16-26(20)24)10-9-17-5-2-4-8-22(17)25/h1-16H,C26H16,,,,,,IHQGFGQIOMWFFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.388,205-926-0,220-97-3,"11H-indeno[2,1-a]phenanthrene","11H-indeno[2,1-a]phenanthrene",C1c2ccccc2c3ccc4c(ccc5ccccc45)c13,C1c2ccccc2c3ccc4c(ccc5ccccc45)c13,"InChI=1/C21H14/c1-3-7-16-14(5-1)9-10-20-18(16)11-12-19-17-8-4-2-6-15(17)13-21(19)20/h1-12H,13H2",C21H14,,,,,,JPAMAQWNSMPRLT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.389,205-927-6,222-93-5,Pentapheno,pentaphene,c1ccc2cc3c(ccc4cc5ccccc5cc34)cc2c1,c1ccc2cc3c(ccc4cc5ccccc5cc34)cc2c1,InChI=1/C22H14/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)21/h1-14H,C22H14,,,,,,JQQSUOJIMKJQHS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.392,205-930-2,225-51-4,Benz[c]acridine,benzo[c]acridine,c1ccc2nc3c(ccc4ccccc34)cc2c1,c1ccc2nc3c(ccc4ccccc34)cc2c1,InChI=1/C17H11N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)18-17(14)15/h1-11H,C17H11N,,,,,,OAPPEBNXKAKQGS-UHFFFAOYSA-N,Positive,SM811901;SM830601,[M+H]+;[M+H]+,HCD35;HCD35,230.0963:229.0881;230.0965:229.0884:228.0801,CASMI_2016;CASMI_2016,,,,,
100.005.394,205-932-3,226-88-0,Benzo[a]naphthacene,benzo[a]tetracene,c1ccc2cc3cc4c(ccc5ccccc45)cc3cc2c1,c1ccc2cc3cc4c(ccc5ccccc45)cc3cc2c1,InChI=1/C22H14/c1-2-7-17-12-20-14-22-18(13-19(20)11-16(17)6-1)10-9-15-5-3-4-8-21(15)22/h1-14H,C22H14,,,,,,JTRPLRMCBJSBJV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.398,205-937-0,230-27-3,Benzo[h]quinoline,benzo[h]quinoline,c1ccc2c(c1)ccc3cccnc23,c1ccc2c(c1)ccc3cccnc23,InChI=1/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H,C13H9N,,,,,,WZJYKHNJTSNBHV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.408,205-948-0,239-35-0,11-thiabenzo[a]fluorene,"benzo[b]naphtho[2,1-d]thiophene",c1ccc2c(c1)ccc3c4ccccc4sc23,c1ccc2c(c1)ccc3c4ccccc4sc23,InChI=1/C16H10S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H,C16H10S,,,,,,YEUHHUCOSQOCIX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.340,211-373-6,641-70-3,3-nitrophthalic anhydride,"4-nitro-2-benzofuran-1,3-dione",[O-][N+](=O)c1cccc2C(=O)OC(=O)c12,[O-][N+](=O)c1cccc2C(=O)OC(=O)c12,InChI=1/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H,C8H3NO5,,,,,,ROFZMKDROVBLNY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.350,211-384-6,642-44-4,Aminometradine,"1-allyl-6-amino-3-ethylpyrimidine-2,4(1H,3H)-dione",CCN1C(=O)C=C(N)N(CC=C)C1=O,CCN1C(=O)C=C(N)N(CC=C)C1=O,"InChI=1/C9H13N3O2/c1-3-5-12-7(10)6-8(13)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3",C9H13N3O2,,,,,,NGXUUAFYUCOICP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.358,211-393-5,643-10-7,Allo-inositol,"cyclohexane-1,2,3,4,5,6-hexol",O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,C6H12O6,,,,,,CDAISMWEOUEBRE-OQYPVSDDSA-N,,,,,,,,,,,
100.010.363,211-398-2,643-43-6,"2,4-dinitrophenylacetic acid","(2,4-dinitrophenyl)acetic acid",OC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],OC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)",C8H6N2O6,,,,,,KCNISYPADDTFDO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.364,211-399-8,643-53-8,"2,3,4,4a,5,6,7,8-octahydro-2,5,5-trimethyl-2-naphthol","2,5,5-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol",CC1(C)CCCC2=CC(C)(O)CCC12,CC1(C)CCCC2=CC(C)(O)CCC12,"InChI=1/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h9,11,14H,4-8H2,1-3H3",C13H22O,,,,,,BJYVIXDQQRDHDI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.367,211-402-2,643-79-8,Phthalaldehyde,phthalaldehyde,O=Cc1ccccc1C=O,O=Cc1ccccc1C=O,InChI=1/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H,C8H6O2,,,,,,ZWLUXSQADUDCSB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.369,211-404-3,643-93-6,3-methylbiphenyl,3-methylbiphenyl,Cc1cccc(c1)c2ccccc2,Cc1cccc(c1)c2ccccc2,"InChI=1/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3",C13H12,,,,,,NPDIDUXTRAITDE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.374,211-410-6,644-13-3,2'-benzonaphthone,2-naphthyl(phenyl)methanone,O=C(c1ccccc1)c2ccc3ccccc3c2,O=C(c1ccccc1)c2ccc3ccccc3c2,InChI=1/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,C17H12O,,,,,,SJNXJRVDSTZUFB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.378,211-414-8,644-33-7,"N,N'-ethylenebis(benzamide)","N,N'-ethane-1,2-diyldibenzamide",O=C(NCCNC(=O)c1ccccc1)c2ccccc2,O=C(NCCNC(=O)c1ccccc1)c2ccccc2,"InChI=1/C16H16N2O2/c19-15(13-7-3-1-4-8-13)17-11-12-18-16(20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)",C16H16N2O2,,,,,,NWGGAHDZCNJXJA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.380,211-416-9,644-36-0,o-tolylacetic acid,(2-methylphenyl)acetic acid,Cc1ccccc1CC(=O)O,Cc1ccccc1CC(=O)O,"InChI=1/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O2,,,,,,RZWGTXHSYZGXKF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.110,212-221-1,770-27-4,2-ethyl-3-(2-furyl)acrylaldehyde,2-(2-furylmethylene)butanal,CC\\C(=C\\c1occc1)\\C=O,CC\C(=C\c1occc1)\C=O,"InChI=1/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3",C9H10O2,,,,,,UCPFCQBLYDXPTR-VURMDHGXSA-N,,,,,,,,,,,
100.011.112,212-223-2,770-37-6,2-(benzylideneamino)ethanol,2-(benzylideneamino)ethanol,OCCN=Cc1ccccc1,OCCN=Cc1ccccc1,"InChI=1/C9H11NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2",C9H11NO,,,,,,ALUFITGOFDIAAA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.117,212-229-5,771-12-0,2-dioxocyclohexaneacetic acid,oxo(2-oxocyclohexyl)acetic acid,OC(=O)C(=O)C1CCCCC1=O,OC(=O)C(=O)C1CCCCC1=O,"InChI=1/C8H10O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h5H,1-4H2,(H,11,12)",C8H10O4,,,,,,MYSYQFMSWWNJHG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.120,212-232-1,771-51-7,Indol-3-ylacetonitrile,1H-indol-3-ylacetonitrile,N#CCc1c[nH]c2ccccc12,N#CCc1c[nH]c2ccccc12,"InChI=1/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2",C10H8N2,,,,,,DMCPFOBLJMLSNX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.121,212-233-7,771-56-2,"2,3,4,5,6-pentafluorotoluene","1,2,3,4,5-pentafluoro-6-methylbenzene",Cc1c(F)c(F)c(F)c(F)c1F,Cc1c(F)c(F)c(F)c(F)c1F,InChI=1/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3,C7H3F5,,,,,,SXPRVMIZFRCAGC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.124,212-236-3,771-62-0,Pentafluorothiophenol,pentafluorobenzenethiol,Fc1c(F)c(F)c(S)c(F)c1F,Fc1c(F)c(F)c(S)c(F)c1F,InChI=1/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,C6HF5S,,,,,,UVAMFBJPMUMURT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.129,212-242-6,771-98-2,Cyclohexen-1-ylbenzene,cyclohex-1-en-1-ylbenzene,C1CCC(=CC1)c2ccccc2,C1CCC(=CC1)c2ccccc2,"InChI=1/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2",C12H14,,,,,,WCMSFBRREKZZFL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.135,212-248-9,772-33-8,a-bromo-4-nitro-o-cresol,2-(bromomethyl)-4-nitrophenol,Oc1ccc(cc1CBr)[N+](=O)[O-],Oc1ccc(cc1CBr)[N+](=O)[O-],"InChI=1/C7H6BrNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2",C7H6BrNO3,,,,,,KFDPCYZHENQOBV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.136,212-249-4,772-46-3,2-methyl-1-phenylbutan-2-ol,2-methyl-1-phenylbutan-2-ol,CCC(C)(O)Cc1ccccc1,CCC(C)(O)Cc1ccccc1,"InChI=1/C11H16O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3",C11H16O,,,,,,FTZBYXCNXOPJEL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.224,206-845-3,382-67-2,Desoximetasone,"9-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@H]1C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@H]1C(=O)CO,"InChI=1/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3",C22H29FO4,,,,,,VWVSBHGCDBMOOT-DPUKQCMYSA-N,,,,,,,,,,,
100.006.228,206-850-0,383-62-0,Ethyl chlorodifluoroacetate,ethyl chloro(difluoro)acetate,CCOC(=O)C(F)(F)Cl,CCOC(=O)C(F)(F)Cl,"InChI=1/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",C4H5ClF2O2,,,,,,GVCAWQUJCHZRCB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.232,206-854-2,383-88-0,Silver(1+) difluoroacetate,silver(1+) difluoroacetate,[Ag+].[O-]C(=O)C(F)F,[Ag+].[O-]C(=O)C(F)F,"InChI=1/C2H2F2O2.Ag/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1",C2H2F2O2.Ag,,,,,,TXZRZVPDNWCKTC-UHFFFAOYSA-M,,,,,,,,,,,
100.006.237,206-860-5,387-45-1,2-chloro-6-fluorobenzaldehyde,2-chloro-6-fluorobenzaldehyde,Fc1cccc(Cl)c1C=O,Fc1cccc(Cl)c1C=O,InChI=1/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H,C7H4ClFO,,,,,,OACPOWYLLGHGCR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.238,206-861-0,387-59-7,"6a-fluoro-11ß,17,21-trihydroxy-16a-methylpregn-4-ene-3,20-dione","6-fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H31FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h7,11,13-14,16-17,19,24,26,28H,4-6,8-10H2,1-3H3",C22H31FO5,,,,,,JXOONFORBFAKIN-AFYJWTTESA-N,,,,,,,,,,,
100.006.240,206-863-1,388-82-9,"2,2'-difluoro-1,1'-biphenyl","2,2'-difluorobiphenyl",Fc1ccccc1c2ccccc2F,Fc1ccccc1c2ccccc2F,InChI=1/C12H8F2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,C12H8F2,,,,,,PXFIPIAXFGAEMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.244,206-867-3,390-28-3,Methoxamine,"2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol",COc1ccc(OC)c(c1)C(O)C(C)N,COc1ccc(OC)c(c1)C(O)C(C)N,"InChI=1/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3",C11H17NO3,,,,,,WJAJPNHVVFWKKL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.245,206-868-9,390-43-2,3-(p-fluorophenyl)-3-(p-tolyl)propionic acid,3-(4-fluorophenyl)-3-(4-methylphenyl)propanoic acid,Cc1ccc(cc1)C(CC(=O)O)c2ccc(F)cc2,Cc1ccc(cc1)C(CC(=O)O)c2ccc(F)cc2,"InChI=1/C16H15FO2/c1-11-2-4-12(5-3-11)15(10-16(18)19)13-6-8-14(17)9-7-13/h2-9,15H,10H2,1H3,(H,18,19)",C16H15FO2,,,,,,SPOHRFJDXRPXLF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.248,206-872-0,391-07-1,2-(2-fluorophenyl)-5-phenyloxazole,"2-(2-fluorophenyl)-5-phenyl-1,3-oxazole",Fc1ccccc1c2oc(cn2)c3ccccc3,Fc1ccccc1c2oc(cn2)c3ccccc3,InChI=1/C15H10FNO/c16-13-9-5-4-8-12(13)15-17-10-14(18-15)11-6-2-1-3-7-11/h1-10H,C15H10FNO,,,,,,AUVBTYHBLOKUTN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.382,205-919-2,214-17-5,Benzo[b]chrysene,benzo[c]tetraphene,c1ccc2cc3c(ccc4c5ccccc5ccc34)cc2c1,c1ccc2cc3c(ccc4c5ccccc5ccc34)cc2c1,InChI=1/C22H14/c1-2-7-17-14-22-18(13-16(17)6-1)10-12-20-19-8-4-3-5-15(19)9-11-21(20)22/h1-14H,C22H14,,,,,,YYGRIGYJXSQDQB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.390,205-928-1,224-41-9,"Dibenz[a,j]anthracene",benzo[m]tetraphene,c1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23,c1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23,InChI=1/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H,C22H14,,,,,,KLIHYVJAYWCEDM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.395,205-933-9,227-09-8,"Dibenzo[a,l]pentacene","dibenzo[a,l]pentacene",c1ccc2c(c1)ccc3cc4cc5cc6c(ccc7ccccc67)cc5cc4cc23,c1ccc2c(c1)ccc3cc4cc5cc6c(ccc7ccccc67)cc5cc4cc23,InChI=1/C30H18/c1-3-7-27-19(5-1)9-11-21-13-23-16-26-18-30-22(12-10-20-6-2-4-8-28(20)30)14-24(26)15-25(23)17-29(21)27/h1-18H,C30H18,,,,,,XSTMLGGLUNLJRY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.396,205-934-4,229-87-8,Phenanthridine,phenanthridine,c1ccc2c(c1)cnc3ccccc23,c1ccc2c(c1)cnc3ccccc23,InChI=1/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H,C13H9N,,,,,,RDOWQLZANAYVLL-UHFFFAOYSA-N,Positive,UA000401|UA000403,[M+H]+,CID35|CID35,180.0806:152.062|180.0808,UFZ_Additional_Specs,,,,,
100.005.397,205-936-5,230-17-1,Benzo[c]cinnoline,benzo[c]cinnoline,c1ccc2c(c1)nnc3ccccc23,c1ccc2c(c1)nnc3ccccc23,InChI=1/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H,C12H8N2,,,,,,SWJXWSAKHXBQSY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.402,205-941-2,234-41-3,"Naphtho[1,2-b]thiophene","naphtho[1,2-b]thiophene",c1ccc2c(c1)ccc3ccsc23,c1ccc2c(c1)ccc3ccsc23,InChI=1/C12H8S/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8H,C12H8S,,,,,,XHYRHAQEXJIVJX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.403,205-942-8,234-95-7,"Pyrrolo[1,2-a]quinoxaline","pyrrolo[1,2-a]quinoxaline",c1ccc2c(c1)ncc3cccn23,c1ccc2c(c1)ncc3cccn23,InChI=1/C11H8N2/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)11/h1-8H,C11H8N2,,,,,,IEOUSWADWJLLCH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.404,205-943-3,235-06-3,"s-triazolo[4,3-a]quinoline","[1,2,4]triazolo[4,3-a]quinoline",c1ccc2c(c1)ccc3nncn23,c1ccc2c(c1)ccc3nncn23,InChI=1/C10H7N3/c1-2-4-9-8(3-1)5-6-10-12-11-7-13(9)10/h1-7H,C10H7N3,,,,,,PIRYKGLQLCKQPG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.409,205-949-6,239-64-5,"Dibenzo[a,i]carbazole","13H-dibenzo[a,i]carbazole",c1ccc2c(c1)ccc3c4ccc5ccccc5c4[nH]c23,c1ccc2c(c1)ccc3c4ccc5ccccc5c4[nH]c23,"InChI=1/C20H13N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-12,21H",C20H13N,,,,,,IUILSTHMSGDSHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.849,204-233-0,118-08-1,Hydrastine,"6,7-dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one",COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34,COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34,"InChI=1/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3",C21H21NO6,,,,,,JZUTXVTYJDCMDU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.851,204-235-1,118-12-7,"1,3,3-trimethyl-2-methyleneindoline","1,3,3-trimethyl-2-methyleneindoline",CN1C(=C)C(C)(C)c2ccccc12,CN1C(=C)C(C)(C)c2ccccc12,"InChI=1/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3",C12H15N,,,,,,ZTUKGBOUHWYFGC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.855,204-239-3,118-27-4,"Diethyl 2,2'-[carbonylbis(oxy)]bisbenzoate","diethyl 2,2'-[carbonylbis(oxy)]dibenzoate",CCOC(=O)c1ccccc1OC(=O)Oc2ccccc2C(=O)OCC,CCOC(=O)c1ccccc1OC(=O)Oc2ccccc2C(=O)OCC,"InChI=1/C19H18O7/c1-3-23-17(20)13-9-5-7-11-15(13)25-19(22)26-16-12-8-6-10-14(16)18(21)24-4-2/h5-12H,3-4H2,1-2H3",C19H18O7,,,,,,QWWLHNFYJSCNGD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.856,204-240-9,118-28-5,5-amino-6-ethoxynaphthalene-2-sulphonic acid,5-amino-6-ethoxynaphthalene-2-sulfonic acid,CCOc1ccc2cc(ccc2c1N)S(=O)(=O)O,CCOc1ccc2cc(ccc2c1N)S(=O)(=O)O,"InChI=1/C12H13NO4S/c1-2-17-11-6-3-8-7-9(18(14,15)16)4-5-10(8)12(11)13/h3-7H,2,13H2,1H3,(H,14,15,16)",C12H13NO4S,,,,,,IZNPFDIKQHGNSK-UHFFFAOYSA-N,,,,,,,,,,,
100.003.857,204-241-4,118-29-6,N-(hydroxymethyl)phthalimide,"2-(hydroxymethyl)-1H-isoindole-1,3(2H)-dione",OCN1C(=O)c2ccccc2C1=O,OCN1C(=O)c2ccccc2C1=O,"InChI=1/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2",C9H7NO3,,,,,,MNSGOOCAMMSKGI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.859,204-244-0,118-31-0,Naphthalene-1-methylamine,1-(1-naphthyl)methanamine,NCc1cccc2ccccc12,NCc1cccc2ccccc12,"InChI=1/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2",C11H11N,,,,,,NVSYANRBXPURRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.860,204-245-6,118-32-1,"7-hydroxynaphthalene-1,3-disulphonic acid","7-hydroxynaphthalene-1,3-disulfonic acid",Oc1ccc2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O,Oc1ccc2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O7S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)",C10H8O7S2,,,,,,DOBIZWYVJFIYOV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.863,204-248-2,118-41-2,"3,4,5-trimethoxybenzoic acid","3,4,5-trimethoxybenzoic acid",COc1cc(cc(OC)c1OC)C(=O)O,COc1cc(cc(OC)c1OC)C(=O)O,"InChI=1/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)",C10H12O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7781,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.863,SJSOFNCYXJUNBT-UHFFFAOYSA-N,,,,,,,,,,,
100.003.864,204-249-8,118-42-3,Hydroxychloroquine,2-[{4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethanol,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,"InChI=1/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)",C18H26ClN3O,,,,,,XXSMGPRMXLTPCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.886,204-273-9,118-74-1,Hexachlorobenzene,hexachlorobenzene,Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6Cl6,,,,,,CKAPSXZOOQJIBF-UHFFFAOYSA-N,,,,,,,,,,,
100.003.887,204-274-4,118-75-2,Tetrachloro-p-benzoquinone,"2,3,5,6-tetrachloro-1,4-benzoquinone",ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl,ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl,InChI=1/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11,C6Cl4O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2069,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.887,UGNWTBMOAKPKBL-UHFFFAOYSA-N,,,,,,,,,,,
100.003.889,204-277-0,118-78-5,5-aminobarbituric acid,"5-aminopyrimidine-2,4,6(1H,3H,5H)-trione",NC1C(=O)NC(=O)NC1=O,NC1C(=O)NC(=O)NC1=O,"InChI=1/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)",C4H5N3O3,,,,,,PSQZLWHRJMYZHD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.891,204-279-1,118-82-1,"2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol","4,4'-methylenebis(2,6-di-tert-butylphenol)",CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3",C29H44O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13429,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.891,MDWVSAYEQPLWMX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.892,204-280-7,118-83-2,"5-chloro-a,a,a-trifluoro-2-nitrotoluene",4-chloro-1-nitro-2-(trifluoromethyl)benzene,[O-][N+](=O)c1ccc(Cl)cc1C(F)(F)F,[O-][N+](=O)c1ccc(Cl)cc1C(F)(F)F,"InChI=1/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H",C7H3ClF3NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11764,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.892,CFPIGEXZPWTNOR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.898,204-287-5,118-92-3,Anthranilic acid,2-aminobenzoic acid,Nc1ccccc1C(=O)O,Nc1ccccc1C(=O)O,"InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",C7H7NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6353,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.898,RWZYAGGXGHYGMB-UHFFFAOYSA-N,Positive,SM800901;SM884401,[M+H]+;[M+H]+,HCD35;HCD35,120.0444:92.0495:138.055;120.0444:92.0495:138.0549,CASMI_2016;CASMI_2016,,,,,
100.003.902,204-291-7,118-99-0,"1,3-diphenylguanidinium phthalate",bis[N-(phenylcarbamimidoyl)anilinium] phthalate,[O-]C(=O)c1ccccc1C(=O)[O-].N=C(Nc2ccccc2)[NH2+]c3ccccc3.N=C(Nc4ccccc4)[NH2+]c5ccccc5,[O-]C(=O)c1ccccc1C(=O)[O-].N=C(Nc2ccccc2)[NH2+]c3ccccc3.N=C(Nc4ccccc4)[NH2+]c5ccccc5,"InChI=1/2C13H13N3.C8H6O4/c2*14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*1-10H,(H3,14,15,16);1-4H,(H,9,10)(H,11,12)",C13H13N3.1/2C8H6O4,,,,,,KFXKTRNHRONVKY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.419,205-960-6,244-76-8,a-carboline,"9H-pyrido[2,3-b]indole",c1ccc2c(c1)[nH]c3ncccc23,c1ccc2c(c1)[nH]c3ncccc23,"InChI=1/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)",C11H8N2,,,,,,BPMFPOGUJAAYHL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.426,205-967-4,254-87-5,"1,2,4-benzotriazene","1,2,4-benzotriazine",c1ccc2nncnc2c1,c1ccc2nncnc2c1,InChI=1/C7H5N3/c1-2-4-7-6(3-1)8-5-9-10-7/h1-5H,C7H5N3,,,,,,GDAXJBDYNVDMDF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.430,205-972-1,261-31-4,"10H-dibenzo[b,e]thiin",9H-thioxanthene,C1c2ccccc2Sc3ccccc13,C1c2ccccc2Sc3ccccc13,"InChI=1/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2",C13H10S,,,,,,PQJUJGAVDBINPI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.432,205-974-2,262-12-4,Dibenzo-p-dioxin,oxanthrene,O1c2ccccc2Oc3ccccc13,O1c2ccccc2Oc3ccccc13,InChI=1/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H,C12H8O2,,,,,,NFBOHOGPQUYFRF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.435,205-977-9,268-77-9,"Naphtho[2,3-b]thiophene","naphtho[2,3-b]thiophene",c1ccc2cc3sccc3cc2c1,c1ccc2cc3sccc3cc2c1,InChI=1/C12H8S/c1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1/h1-8H,C12H8S,,,,,,CYKIHIBNSFRKQP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.436,205-978-4,271-44-3,Indazole,1H-indazole,c1ccc2[nH]ncc2c1,c1ccc2[nH]ncc2c1,"InChI=1/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)",C7H6N2,,,,,,BAXOFTOLAUCFNW-UHFFFAOYSA-N,Positive,SM831203,[M+H]+,HCD35,119.0604:92.0495:65.0387,CASMI_2016,,,,,
100.005.437,205-980-5,271-58-9,Benz[c]isoxazole,"2,1-benzisoxazole",o1cc2ccccc2n1,o1cc2ccccc2n1,InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H,C7H5NO,,,,,,FZKCAHQKNJXICB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.440,205-983-1,271-95-4,Benz[d]isoxazole,"1,2-benzisoxazole",o1ncc2ccccc12,o1ncc2ccccc12,InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,C7H5NO,,,,,,KTZQTRPPVKQPFO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.459,206-004-0,283-60-3,"2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",C1CN2CCO[SiH](OCC2)O1,C1CN2CCO[SiH](OCC2)O1,"InChI=1/C6H13NO3Si/c1-4-8-11-9-5-2-7(1)3-6-10-11/h11H,1-6H2",C6H13NO3Si,,,,,,PZRZYNDNPQRQRN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.464,206-009-8,286-45-3,8-oxabicyclo[5.1.0]octane,8-oxabicyclo[5.1.0]octane,C1CCC2OC2CC1,C1CCC2OC2CC1,"InChI=1/C7H12O/c1-2-4-6-7(8-6)5-3-1/h6-7H,1-5H2",C7H12O,,,,,,MLOZFLXCWGERSM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.465,206-010-3,286-62-4,"1,2-epoxycyclooctane",9-oxabicyclo[6.1.0]nonane,C1CCCC2OC2CC1,C1CCCC2OC2CC1,"InChI=1/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2",C8H14O,,,,,,MELPJGOMEMRMPL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.472,206-018-7,288-14-2,Isoxazole,isoxazole,o1cccn1,o1cccn1,InChI=1/C3H3NO/c1-2-4-5-3-1/h1-3H,C3H3NO,,,,,,CTAPFRYPJLPFDF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.473,206-019-2,288-32-4,Imidazole,1H-imidazole,c1c[nH]cn1,c1c[nH]cn1,"InChI=1/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",C3H4N2,Full,Joint,1+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2052,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.473,RAXXELZNTBOGNW-UHFFFAOYSA-N,Positive,SM809101,[M+H]+,HCD35,69.0448,CASMI_2016,,,,,
100.005.476,206-022-9,288-88-0,"1,2,4-triazole","1H-1,2,4-triazole",c1nc[nH]n1,c1nc[nH]n1,"InChI=1/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",C2H3N3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13353,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.476,NSPMIYGKQJPBQR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.586,206-143-7,303-47-9,"(R)-N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo[c]pyran-7-yl)carbonyl)-3-phenylalanine","N-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]-D-phenylalanine",CC1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,CC1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,"InChI=1/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)",C20H18ClNO6,,,,,,RWQKHEORZBHNRI-GENIYJEYSA-N,,,,,,,,,,,
100.005.589,206-146-3,303-81-1,Novobiocin,"5-hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate (non-preferred name)",CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C,CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C,"InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)",C31H36N2O11,,,,,,YJQPYGGHQPGBLI-KGSXXDOSSA-N,Positive,mzcloud:1663,[M+H]+;[M+Na]+,HCD_Averaged,396.1442:218.1023:189.0910:151.0390:133.02840:125.0597:77.0386:97.0648:105.0335,HighChem,,,,,
100.005.590,206-147-9,303-98-0,Coenzyme Q-10,"2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone",COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,"InChI=1/C44H66O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30H,12-17,19,21,23,25,27,29,31H2,1-11H3",C59H90O4,,,,,,DBESHHFMIFSNRV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.597,206-155-2,304-55-2,Succimer,"2,3-disulfanylsuccinic acid",OC(=O)C(S)C(S)C(=O)O,OC(=O)C(S)C(S)C(=O)O,"InChI=1/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)",C4H6O4S2,,,,,,ACTRVOBWPAIOHC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.137,212-251-5,772-54-3,"N,N-diethylbenzylamine",N-benzyl-N-ethylethanamine,CCN(CC)Cc1ccccc1,CCN(CC)Cc1ccccc1,"InChI=1/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",C11H17N,,,,,,ZWRDBWDXRLPESY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.139,212-253-6,772-65-6,Dichloromethyl(2-phenylethyl)silane,(dichloromethyl)(2-phenylethyl)silane,ClC(Cl)[SiH2]CCc1ccccc1,ClC(Cl)[SiH2]CCc1ccccc1,"InChI=1/C9H12Cl2Si/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2",C9H12Cl2Si,,,,,,JNNVRERMTRDHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.140,212-254-1,772-79-2,p-chlorophenyl dichlorophosphate,4-chlorophenyl dichlorophosphate,Clc1ccc(OP(=O)(Cl)Cl)cc1,Clc1ccc(OP(=O)(Cl)Cl)cc1,"InChI=1/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H",C6H4Cl3O2P,,,,,,CCZMQYGSXWZFKI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.144,212-258-3,773-76-2,"5,7-dichloroquinolin-8-ol","5,7-dichloroquinolin-8-ol",Oc1c(Cl)cc(Cl)c2cccnc12,Oc1c(Cl)cc(Cl)c2cccnc12,"InChI=1/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",C9H5Cl2NO,,,,,,WDFKMLRRRCGAKS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.153,212-268-8,774-74-3,"(2,4-dichlorophenoxy)acetyl chloride","(2,4-dichlorophenoxy)acetyl chloride",ClC(=O)COc1ccc(Cl)cc1Cl,ClC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H5Cl3O2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2",C8H5Cl3O2,,,,,,FUJSJWRORKKPAI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.160,212-276-1,776-19-2,"1,3,4,6-tetrachlorotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,4,6-tetrachlorotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",ClN1C2C(N(Cl)C(=O)N2Cl)N(Cl)C1=O,ClN1C2C(N(Cl)C(=O)N2Cl)N(Cl)C1=O,InChI=1/C4H2Cl4N4O2/c5-9-1-2(11(7)3(9)13)12(8)4(14)10(1)6/h1-2H,C4H2Cl4N4O2,,,,,,TWVLNKKMSLYUQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.162,212-278-2,776-35-2,"9,10-dihydrophenanthrene","9,10-dihydrophenanthrene",C1Cc2ccccc2c3ccccc13,C1Cc2ccccc2c3ccccc13,"InChI=1/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2",C14H12,,,,,,XXPBFNVKTVJZKF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.944,213-137-8,926-56-7,"4-methylpenta-1,3-diene","4-methylpenta-1,3-diene",CC(=CC=C)C,CC(=CC=C)C,"InChI=1/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3",C6H10,,,,,,CJSBUWDGPXGFGA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.946,213-139-9,926-63-6,Dimethyl(propyl)amine,"N,N-dimethylpropan-1-amine",CCCN(C)C,CCCN(C)C,"InChI=1/C5H13N/c1-4-5-6(2)3/h4-5H2,1-3H3",C5H13N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5294,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.946,ZUHZZVMEUAUWHY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.949,213-143-0,926-72-7,Amidinouronium chloride,amino-N-[amino(hydroxy)methylene]iminomethanaminium chloride,[Cl-].NC(=[NH+]C(=N)N)O,[Cl-].NC(=[NH+]C(=N)N)O,"InChI=1/C2H6N4O.ClH/c3-1(4)6-2(5)7;/h(H6,3,4,5,6,7);1H",C2H6N4O.ClH,,,,,,IFVXVYPDZQJILI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.956,213-150-9,927-49-1,Undecan-6-one,undecan-6-one,CCCCCC(=O)CCCCC,CCCCCC(=O)CCCCC,"InChI=1/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3",C11H22O,,,,,,ZPQAKYPOZRXKFA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.966,213-161-9,927-74-2,But-3-yn-1-ol,but-3-yn-1-ol,OCCC#C,OCCC#C,"InChI=1/C4H6O/c1-2-3-4-5/h1,5H,3-4H2",C4H6O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17378,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.966,OTJZCIYGRUNXTP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.971,213-167-1,927-96-8,2-butoxyethyl hydrogensulphate,2-butoxyethyl hydrogen sulfate,CCCCOCCOS(=O)(=O)O,CCCCOCCOS(=O)(=O)O,"InChI=1/C6H14O5S/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H,7,8,9)",C6H14O5S,,,,,,XAULISWKJQTUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.974,213-170-8,928-24-5,"1,2-ethanediyl dioleate","ethane-1,2-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3",C38H70O4,,,,,,NKSOSPOXQKNIKJ-CLFAGFIQSA-N,,,,,,,,,,,
100.011.975,213-171-3,928-40-5,"Hexane-1,5-diol","hexane-1,5-diol",CC(O)CCCCO,CC(O)CCCCO,"InChI=1/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3",C6H14O2,,,,,,UNVGBIALRHLALK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.981,213-178-1,928-65-4,Trichlorohexylsilane,trichloro(hexyl)silane,CCCCCC[Si](Cl)(Cl)Cl,CCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C6H13Cl3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3",C6H13Cl3Si,,,,,,LFXJGGDONSCPOF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.527,210-478-4,616-38-6,Dimethyl carbonate,dimethyl carbonate,COC(=O)OC,COC(=O)OC,InChI=1/C3H6O3/c1-5-3(4)6-2/h1-2H3,C3H6O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14944,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.527,IEJIGPNLZYLLBP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.534,210-486-8,616-59-1,2-hydroxy-5-nitrobenzenesulphonic acid,2-hydroxy-5-nitrobenzenesulfonic acid,Oc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],Oc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C6H5NO6S/c8-5-2-1-4(7(9)10)3-6(5)14(11,12)13/h1-3,8H,(H,11,12,13)",C6H5NO6S,,,,,,AFVVQKCFSIFDER-UHFFFAOYSA-N,,,,,,,,,,,
100.009.535,210-487-3,616-68-2,Trimecaine,"N~2~,N~2~-diethyl-N-mesitylglycinamide",CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,"InChI=1/C15H24N2O/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)",C15H24N2O,,,,,,GOZBHBFUQHMKQB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.411,205-951-7,239-98-5,Benzo[a]pentacene,benzo[a]pentacene,c1ccc2cc3cc4cc5c(ccc6ccccc56)cc4cc3cc2c1,c1ccc2cc3cc4cc5c(ccc6ccccc56)cc4cc3cc2c1,InChI=1/C26H16/c1-2-7-19-12-22-15-24-16-26-20(10-9-17-5-3-4-8-25(17)26)13-23(24)14-21(22)11-18(19)6-1/h1-16H,C26H16,,,,,,PLKNNIMJRPBOSW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.412,205-952-2,243-17-4,Benzo[b]fluorene,11H-benzo[b]fluorene,C1c2ccccc2c3cc4ccccc4cc13,C1c2ccccc2c3cc4ccccc4cc13,"InChI=1/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2",C17H12,,,,,,HAPOJKSPCGLOOD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.414,205-954-3,243-38-9,5H-quinindoline,"5H-indolo[2,3-b]quinoline",c1ccc2[nH]c3nc4ccccc4c3cc2c1,c1ccc2[nH]c3nc4ccccc4c3cc2c1,"InChI=1/C15H10N2/c1-3-7-13-10(5-1)9-12-11-6-2-4-8-14(11)17-15(12)16-13/h1-9H,(H,16,17)",C15H10N2,,,,,,RDFSPMPXDYGXHP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.416,205-956-4,243-46-9,"Benzo[b]naphtho[2,3-d]thiophene","benzo[b]naphtho[2,3-d]thiophene",c1ccc2cc3c(cc2c1)sc4ccccc34,c1ccc2cc3c(cc2c1)sc4ccccc34,InChI=1/C16H10S/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H,C16H10S,,,,,,UWMISBRPSJFHIR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.418,205-959-0,244-63-3,"9H-pyrido[3,4-b]indole",9H-beta-carboline,c1ccc2c(c1)[nH]c3cnccc23,c1ccc2c(c1)[nH]c3cnccc23,"InChI=1/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H",C11H8N2,,,,,,AIFRHYZBTHREPW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.427,205-969-5,256-81-5,"5H-dibenzo[a,d]cycloheptene","5H-dibenzo[a,d][7]annulene",C1c2ccccc2C=Cc3ccccc13,C1c2ccccc2C=Cc3ccccc13,"InChI=1/C15H12/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-10H,11H2",C15H12,,,,,,QPJORFLSOJAUNL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.428,205-970-0,256-96-2,"5H-dibenz[b,f]azepine","5H-dibenzo[b,f]azepine",N1c2ccccc2C=Cc3ccccc13,N1c2ccccc2C=Cc3ccccc13,"InChI=1/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H",C14H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13753,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.428,LCGTWRLJTMHIQZ-UHFFFAOYSA-N,Positive,AU204802|AU204803|AU204804|AU204805;SM878003;EA099201|EA099202|EA099203|EA099204|EA099205|EA099206|EA099207|EA099208|EA099209|EA099210|EA099211|EA099212|EA099213|EA099214;UF413301|UF413302|UF413303|UF413304,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,194.0957:195.0991:179.0723|194.0957:179.0711:195.0991|179.0715:194.0939:165.0683|193.0872:179.0708:152.0605;194.0965:193.0888:134.06;194.0969:193.0886:165.0696|194.0968:193.0893:179.0727|194.0967:193.0891:165.0694|194.0969:193.0894:179.0725|194.0966:193.0892:179.0731|194.0969:193.0892:179.0732|193.089:194.0968:179.0731|194.0967:193.0892|194.0967:193.0891|194.0967:193.089:165.0695|194.0967:193.0891:179.0731|194.0969:193.0892:179.0732|193.0889:194.0966:179.0732|194.0967:193.0887:179.0726;194.0972:179.0738:167.0863|194.0973:179.0738:116.05|194.0972:167.086|194.0972:179.0736:167.086,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.005.429,205-971-6,260-94-6,Acridine,acridine,c1ccc2nc3ccccc3cc2c1,c1ccc2nc3ccccc3cc2c1,InChI=1/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H,C13H9N,,,,,,DZBUGLKDJFMEHC-UHFFFAOYSA-N,Positive,UA000301|UA000303,[M+H]+,CID35|CID35,180.0806|180.0807,UFZ_Additional_Specs,,,,,
100.005.431,205-973-7,261-96-1,"10H-pyrido[3,2-b](1,4)benzothiazine","10H-pyrido[3,2-b][1,4]benzothiazine",N1c2ccccc2Sc3cccnc13,N1c2ccccc2Sc3cccnc13,"InChI=1/C11H8N2S/c1-2-5-9-8(4-1)13-11-10(14-9)6-3-7-12-11/h1-7H,(H,12,13)",C11H8N2S,,,,,,UKDZROJJLPDLDO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.433,205-975-8,262-20-4,Phenoxathiin,phenoxathiin,O1c2ccccc2Sc3ccccc13,O1c2ccccc2Sc3ccccc13,InChI=1/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H,C12H8OS,,,,,,GJSGGHOYGKMUPT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.442,205-985-2,273-13-2,"2,1,3-benzothiadiazole","2,1,3-benzothiadiazole",c1ccc2nsnc2c1,c1ccc2nsnc2c1,InChI=1/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,C6H4N2S,,,,,,PDQRQJVPEFGVRK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.443,205-986-8,273-15-4,"2,1,3-benzoselenadiazole","2,1,3-benzoselenadiazole",[Se]1N=C2C=CC=CC2=N1,[Se]1N=C2C=CC=CC2=N1,InChI=1/C6H4N2Se/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,C6H4N2Se,,,,,,AYTPIVIDHMVGSX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.445,205-988-9,273-53-0,Benzoxazole,"1,3-benzoxazole",o1cnc2ccccc12,o1cnc2ccccc12,InChI=1/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,C7H5NO,,,,,,BCMCBBGGLRIHSE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.456,206-000-9,280-64-8,9-borabicyclo[3.3.1]nonane,9-borabicyclo[3.3.1]nonane,B1C2CCCC1CCC2,B1C2CCCC1CCC2,"InChI=1/C8H15B/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2",C8H15B,,,,,,FEJUGLKDZJDVFY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.460,206-005-6,285-67-6,"1,2-epoxycyclopentane",6-oxabicyclo[3.1.0]hexane,C1CC2OC2C1,C1CC2OC2C1,"InChI=1/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2",C5H8O,,,,,,GJEZBVHHZQAEDB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.466,206-011-9,286-75-9,"5,10-dioxatricyclo[7.1.0.04,6]decane","5,10-dioxatricyclo[7.1.0.0~4,6~]decane",C1CC2OC2CCC3OC13,C1CC2OC2CCC3OC13,"InChI=1/C8H12O2/c1-2-6-8(10-6)4-3-7-5(1)9-7/h5-8H,1-4H2",C8H12O2,,,,,,USGYMDAUQBQWFU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.470,206-016-6,287-92-3,Cyclopentane,cyclopentane,C1CCCC1,C1CCCC1,InChI=1/C5H10/c1-2-4-5-3-1/h1-5H2,C5H10,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14830,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.470,RGSFGYAAUTVSQA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.595,206-153-1,304-28-9,"N,N'-9H-fluorene-2,7-diylbisacetamide","N,N'-9H-fluorene-2,7-diyldiacetamide",CC(=O)Nc1ccc2c(Cc3cc(NC(=O)C)ccc23)c1,CC(=O)Nc1ccc2c(Cc3cc(NC(=O)C)ccc23)c1,"InChI=1/C17H16N2O2/c1-10(20)18-14-3-5-16-12(8-14)7-13-9-15(19-11(2)21)4-6-17(13)16/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21)",C17H16N2O2,,,,,,XBZBRCVCSVLJJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.598,206-156-8,304-59-6,Potassium sodium tartrate,potassium sodium tartarate,[Na+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],[Na+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.K.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C4H6O6.K.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14183,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.598,LJCNRYVRMXRIQR-UHFFFAOYSA-L,,,,,,,,,,,
100.003.903,204-292-2,119-04-0,Framycetin,"4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O,NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",C23H46N6O13,,,,,,PGBHMTALBVVCIT-VCIWKGPPSA-N,,,,,,,,,,,
100.003.905,204-294-3,119-06-2,Di(tridecyl) phthalate,ditridecyl phthalate,CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,"InChI=1/C34H58O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26,29-30H2,1-2H3",C34H58O4,,,,,,YCZJVRCZIPDYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.907,204-296-4,119-10-8,Methyl 2-nitro-p-tolyl ether,1-methoxy-4-methyl-2-nitrobenzene,COc1ccc(C)cc1[N+](=O)[O-],COc1ccc(C)cc1[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3",C8H9NO3,,,,,,LGNMURXRPLMVJI-UHFFFAOYSA-N,,,,,,,,,,,
100.003.908,204-298-5,119-12-0,"O,O-diethyl O-(1,6-dihydro-6-oxo-1-phenylpyridazin-3-yl) thiophosphate","O,O-diethyl O-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl) thiophosphate",CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)c2ccccc2,CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)c2ccccc2,"InChI=1/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3",C14H17N2O4PS,,,,,,CXJSOEPQXUCJSA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.909,204-299-0,119-13-1,"[2R[2R*(4R*,8R*)]]-3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol","2,8-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)cc(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)cc(C)c2O1,"InChI=1/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3",C27H46O2,,,,,,GZIFEOYASATJEH-UHFFFAOYSA-N,,,,,,,,,,,
100.003.911,204-302-5,119-16-4,"2,4-dihydro-5-methyl-2-(3-nitrophenyl)-3H-pyrazol-3-one","5-methyl-2-(3-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2cccc(c2)[N+](=O)[O-],CC1=NN(C(=O)C1)c2cccc(c2)[N+](=O)[O-],"InChI=1/C10H9N3O3/c1-7-5-10(14)12(11-7)8-3-2-4-9(6-8)13(15)16/h2-4,6H,5H2,1H3",C10H9N3O3,,,,,,BNILDNQGLCOHLV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.912,204-303-0,119-17-5,"m-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid","3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)O,CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)O,"InChI=1/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)",C10H10N2O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13434,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.912,VEMGKBUHUTYHHA-UHFFFAOYSA-N,,,,,,,,,,,
100.003.916,204-307-2,119-22-2,N-ethyl-5-sulphoanthranilic acid,2-(ethylamino)-5-sulfobenzoic acid,CCNc1ccc(cc1C(=O)O)S(=O)(=O)O,CCNc1ccc(cc1C(=O)O)S(=O)(=O)O,"InChI=1/C9H11NO5S/c1-2-10-8-4-3-6(16(13,14)15)5-7(8)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)(H,13,14,15)",C9H11NO5S,,,,,,WXUAZZARGUDIHU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.030,205-532-9,142-29-0,Cyclopentene,cyclopentene,C1CC=CC1,C1CC=CC1,"InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",C5H8,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/4842,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.030,LPIQUOYDBNQMRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.033,205-536-0,142-45-0,Butynedioic acid,but-2-ynedioic acid,OC(=O)C#CC(=O)O,OC(=O)C#CC(=O)O,"InChI=1/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)",C4H2O4,,,,,,YTIVTFGABIZHHX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.035,205-538-1,142-47-2,Sodium hydrogen glutamate,sodium hydrogen 2-aminopentanedioate,[Na+].NC(CCC(=O)[O-])C(=O)[O-],[Na+].NC(CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-2",C5H9NO4.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5201,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.035,LPUQAYUQRXPFSQ-UHFFFAOYSA-L,,,,,,,,,,,
100.005.046,205-550-7,142-62-1,Hexanoic acid,hexanoic acid,CCCCCC(=O)O,CCCCCC(=O)O,"InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)",C6H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14271,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.046,FUZZWVXGSFPDMH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.051,205-555-4,142-73-4,Iminodi(acetic acid),"2,2'-iminodiacetic acid",OC(=O)CNCC(=O)O,OC(=O)CNCC(=O)O,"InChI=1/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)",C4H7NO4,,,,,,NBZBKCUXIYYUSX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.052,205-557-5,142-75-6,2-hydroxypropyl stearate,2-hydroxypropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,"InChI=1/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3",C21H42O3,,,,,,FKOKUHFZNIUSLW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.054,205-559-6,142-77-8,Butyl oleate,butyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC,"InChI=1/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3",C22H42O2,,,,,,WIBFFTLQMKKBLZ-SEYXRHQNSA-N,,,,,,,,,,,
100.005.055,205-560-1,142-78-9,N-(2-hydroxyethyl)dodecanamide,N-(2-hydroxyethyl)dodecanamide,CCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCC(=O)NCCO,"InChI=1/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h16H,2-13H2,1H3,(H,15,17)",C14H29NO2,,,,,,QZXSMBBFBXPQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.607,206-166-2,305-62-4,"2,4-diaminobutyric acid","2,4-diaminobutanoic acid",NCCC(N)C(=O)O,NCCC(N)C(=O)O,"InChI=1/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)",C4H10N2O2,,,,,,OGNSCSPNOLGXSM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.610,206-169-9,305-84-0,Carnosine,beta-alanylhistidine,NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O,NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O,"InChI=1/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)",C9H14N4O3,,,,,,CQOVPNPJLQNMDC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.611,206-170-4,305-85-1,"2,6-diiodo-4-nitrophenol","2,6-diiodo-4-nitrophenol",Oc1c(I)cc(cc1I)[N+](=O)[O-],Oc1c(I)cc(cc1I)[N+](=O)[O-],"InChI=1/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H",C6H3I2NO3,,,,,,UVGTXNPVQOQFQW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.616,206-176-7,306-08-1,4-hydroxy-3-methoxyphenylacetic acid,(4-hydroxy-3-methoxyphenyl)acetic acid,COc1cc(CC(=O)O)ccc1O,COc1cc(CC(=O)O)ccc1O,"InChI=1/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)",C9H10O4,,,,,,QRMZSPFSDQBLIX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.617,206-177-2,306-11-6,[2-hydroxy-3-(m-tolyloxy)propyl]isopropylammonium chloride,2-hydroxy-N-isopropyl-3-(3-methylphenoxy)propan-1-aminium chloride,[Cl-].CC(C)[NH2+]CC(O)COc1cccc(C)c1,[Cl-].CC(C)[NH2+]CC(O)COc1cccc(C)c1,"InChI=1/C13H21NO2.ClH/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13;/h4-7,10,12,14-15H,8-9H2,1-3H3;1H",C13H21NO2.ClH,,,,,,UFLVPYQUIGXQNW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.619,206-179-3,306-14-9,N'a-histidylhistidine,histidylhistidine,NC(Cc1c[nH]cn1)C(=O)NC(Cc2c[nH]cn2)C(=O)O,NC(Cc1c[nH]cn1)C(=O)NC(Cc2c[nH]cn2)C(=O)O,"InChI=1/C12H16N6O3/c13-9(1-7-3-14-5-16-7)11(19)18-10(12(20)21)2-8-4-15-6-17-8/h3-6,9-10H,1-2,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)",C12H16N6O3,,,,,,SGCGMORCWLEJNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.620,206-180-9,306-19-4,N'-benzylpivalohydrazide,"N'-benzyl-2,2-dimethylpropanehydrazide",CC(C)(C)C(=O)NNCc1ccccc1,CC(C)(C)C(=O)NNCc1ccccc1,"InChI=1/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)",C12H18N2O,,,,,,FWWDFDMCZLOXQI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.621,206-181-4,306-21-8,4-(2-aminopropyl)phenol hydrobromide,4-(2-aminopropyl)phenol hydrobromide,Br.CC(N)Cc1ccc(O)cc1,Br.CC(N)Cc1ccc(O)cc1,"InChI=1/C9H13NO.BrH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H",C9H13NO.BrH,,,,,,RZCJLMTXBMNRAD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.623,206-184-0,306-44-5,2-oxopropionaldehyde 1-oxime,2-oxopropanal oxime,CC(=O)C=NO,CC(=O)C=NO,"InChI=1/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3",C3H5NO2,,,,,,OVGLVOLWBBGQHS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.632,206-194-5,306-95-6,"1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-heptadecafluorodecahydro-7-(trifluoromethyl)naphthalene","1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-heptadecafluoro-7-(trifluoromethyl)decahydronaphthalene",FC(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,FC(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,"InChI=1/C11F20/c12-1-2(13,7(21,22)10(27,28)9(25,26)6(1,19)20)5(17,18)8(23,24)3(14,4(1,15)16)11(29,30)31",C11F20,,,,,,DVPQLHWKBCBNDB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.635,206-197-1,307-30-2,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol","2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol",OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2",C8H3F15O,,,,,,PJDOLCGOTSNFJM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.899,207-587-4,482-94-0,"Methyl (19a)-16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate","methyl 11-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate",COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12,"InChI=1/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3",C22H26N2O4,,,,,,KXEMQEGRZWUKJS-QIYNHLNTSA-N,,,,,,,,,,,
100.006.900,207-589-5,483-04-5,Ajmalicine,"methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate",COC(=O)\\C3=C\\O[C@@H](C)[C@H]4CN5CCc1c(nc2ccccc12)[C@@H]5C[C@H]34,COC(=O)\C3=C\O[C@@H](C)[C@H]4CN5CCc1c(nc2ccccc12)[C@@H]5C[C@H]34,"InChI=1/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3",C21H24N2O3,,,,,,GRTOGORTSDXSFK-XJTZBENFSA-N,,,,,,,,,,,
100.006.903,207-592-1,483-18-1,Emetine,"6',7',10,11-tetramethoxyemetan",CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45,"InChI=1/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3",C29H40N2O4,,,,,,AUVVAXYIELKVAI-CKBKHPSWSA-N,Positive,mzcloud:2070,[M+H]+,HCD_Averaged,165.0910:190.08625:192.1019:230.11756:246.14886:274.1861:55.0542:91.0542:105.0699:121.0648:464.2795:448.2482:436.2482,HighChem,,,,,
100.006.905,207-594-2,483-55-6,"2-hydroxy-3-methyl-1,4-naphthoquinone","2-hydroxy-3-methyl-1,4-naphthoquinone",CC1=C(O)C(=O)c2ccccc2C1=O,CC1=C(O)C(=O)c2ccccc2C1=O,"InChI=1/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,13H,1H3",C11H8O3,,,,,,LULCPJWUGUVEFU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.537,210-489-4,616-74-0,"4,6-dinitroresorcinol","4,6-dinitrobenzene-1,3-diol",Oc1cc(O)c(cc1[N+](=O)[O-])[N+](=O)[O-],Oc1cc(O)c(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H",C6H4N2O6,,,,,,MBXIRNHACKAGPA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.541,210-494-1,616-82-0,4-hydroxy-3-nitrobenzoic acid,4-hydroxy-3-nitrobenzoic acid,OC(=O)c1ccc(O)c(c1)[N+](=O)[O-],OC(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C7H5NO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)",C7H5NO5,,,,,,QRYSWXFQLFLJTC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.542,210-495-7,616-84-2,4-amino-3-nitrobenzenesulphonic acid,4-amino-3-nitrobenzenesulfonic acid,Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O,Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C6H6N2O5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,7H2,(H,11,12,13)",C6H6N2O5S,,,,,,VZLLZDZTQPBHAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.545,210-498-3,616-91-1,Acetylcysteine,N-acetylcysteine,CC(=O)NC(CS)C(=O)O,CC(=O)NC(CS)C(=O)O,"InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)",C5H9NO3S,,,,,,PWKSKIMOESPYIA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.546,210-499-9,616-99-9,Di-o-tolylmercury,bis(2-methylphenyl)mercury,Cc1ccccc1[Hg]c2ccccc2C,Cc1ccccc1[Hg]c2ccccc2C,"InChI=1/2C7H7.Hg/c2*1-7-5-3-2-4-6-7;/h2*2-5H,1H3;/rC14H14Hg/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10H,1-2H3",C14H14Hg,,,,,,MXBDBDZPEVJJMM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.548,210-501-8,617-02-7,o-tolyl benzoate,2-methylphenyl benzoate,Cc1ccccc1OC(=O)c2ccccc2,Cc1ccccc1OC(=O)c2ccccc2,"InChI=1/C14H12O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h2-10H,1H3",C14H12O2,,,,,,YPMKPCAILYDVBN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.552,210-506-5,617-19-6,"6'-butoxy-3,3'-azopyridine-2,6-diyldiamine","3-[(6-butoxypyridin-3-yl)diazenyl]pyridine-2,6-diamine",CCCCOc1ccc(cn1)N=Nc2ccc(N)nc2N,CCCCOc1ccc(cn1)N=Nc2ccc(N)nc2N,"InChI=1/C14H18N6O/c1-2-3-8-21-13-7-4-10(9-17-13)19-20-11-5-6-12(15)18-14(11)16/h4-7,9H,2-3,8H2,1H3,(H4,15,16,18)",C14H18N6O,,,,,,WAWDOEHEAULMGC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.555,210-509-1,617-31-2,2-hydroxyvaleric acid,2-hydroxypentanoic acid,CCCC(O)C(=O)O,CCCC(O)C(=O)O,"InChI=1/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",C5H10O3,,,,,,JRHWHSJDIILJAT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.558,210-512-8,617-36-7,Ethyl oxamate,ethyl amino(oxo)acetate,CCOC(=O)C(=O)N,CCOC(=O)C(=O)N,"InChI=1/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6)",C4H7NO3,,,,,,RZMZBHSKPLVQCP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.575,210-531-1,617-80-1,2-ethylbutyronitrile,2-ethylbutanenitrile,CCC(CC)C#N,CCC(CC)C#N,"InChI=1/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3",C6H11N,,,,,,QARLTYSAFQGMMB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.395,211-433-1,645-13-6,1-[4-(1-methylethyl)phenyl]ethan-1-one,1-(4-isopropylphenyl)ethanone,CC(C)c1ccc(cc1)C(=O)C,CC(C)c1ccc(cc1)C(=O)C,"InChI=1/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3",C11H14O,,,,,,PDLCCNYKIIUWHA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.402,211-441-5,645-41-0,Triisopentylamine,"3-methyl-N,N-bis(3-methylbutyl)butan-1-amine",CC(C)CCN(CCC(C)C)CCC(C)C,CC(C)CCN(CCC(C)C)CCC(C)C,"InChI=1/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3",C15H33N,,,,,,QKVUSSUOYHTOFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.412,211-452-5,645-69-2,Dipentyl succinate,dipentyl succinate,CCCCCOC(=O)CCC(=O)OCCCCC,CCCCCOC(=O)CCC(=O)OCCCCC,"InChI=1/C14H26O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h3-12H2,1-2H3",C14H26O4,,,,,,JYCRKSLWSLBYLT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.413,211-453-0,645-72-7,"3,7,11,15-tetramethylhexadecan-1-ol","3,7,11,15-tetramethylhexadecan-1-ol",CC(C)CCCC(C)CCCC(C)CCCC(C)CCO,CC(C)CCCC(C)CCCC(C)CCCC(C)CCO,"InChI=1/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3",C20H42O,,,,,,AJAKLDUGVSKVDG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.415,211-455-1,645-92-1,"4,6-diamino-1,3,5-triazin-2(1H)-one","4,6-diamino-1,3,5-triazin-2(1H)-one",NC1=NC(=NC(=O)N1)N,NC1=NC(=NC(=O)N1)N,"InChI=1/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)",C3H5N5O,,,,,,MASBWURJQFFLOO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.419,211-459-3,646-00-4,Manganese dilinoleate,"manganese(2+) dioctadeca-9,12-dienoate",[Mn+2].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Mn+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.1/2Mn,,,,,,SEAWWISVQGCBOW-GRVYQHKQSA-L,,,,,,,,,,,
100.010.420,211-460-9,646-01-5,3-(methylthio)propionic acid,3-(methylsulfanyl)propanoic acid,CSCCC(=O)O,CSCCC(=O)O,"InChI=1/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)",C4H8O2S,,,,,,CAOMCZAIALVUPA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.422,211-463-5,646-06-0,"1,3-dioxolane","1,3-dioxolane",C1COCO1,C1COCO1,InChI=1/C3H6O2/c1-2-5-3-4-1/h1-3H2,C3H6O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15807,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.422,WNXJIVFYUVYPPR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.600,206-158-9,304-88-1,N-hydroxy-N-phenylbenzamide,N-hydroxy-N-phenylbenzamide,ON(C(=O)c1ccccc1)c2ccccc2,ON(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C13H11NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,16H",C13H11NO2,,,,,,YLYIXDZITBMCIW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.602,206-161-5,305-01-1,"6,7-dihydroxy-2-benzopyrone","6,7-dihydroxy-2H-chromen-2-one",Oc1cc2OC(=O)C=Cc2cc1O,Oc1cc2OC(=O)C=Cc2cc1O,"InChI=1/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H",C9H6O4,,,,,,ILEDWLMCKZNDJK-UHFFFAOYSA-N,Positive/Negative,ML003901,[M+H]+,HCD50,179.0343:123.0443:133.0288,MetaboLights,ML003951,[M-H]-,HCD50,177.0194:133.0297:105.0347,MetaboLights
100.005.603,206-162-0,305-03-3,Chlorambucil,4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid,OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,"InChI=1/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)",C14H19Cl2NO2,,,,,,JCKYGMPEJWAADB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.608,206-167-8,305-72-6,Disodium 2-oxoglutarate,disodium 2-oxopentanedioate,[Na+].[Na+].[O-]C(=O)CCC(=O)C(=O)[O-],[Na+].[Na+].[O-]C(=O)CCC(=O)C(=O)[O-],"InChI=1/C5H6O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C5H6O5.2Na,,,,,,YBGBJYVHJTVUSL-UHFFFAOYSA-L,,,,,,,,,,,
100.005.613,206-173-0,305-97-5,Anthiolimine,"hexalithium 2,2',2''-(stibinetriyltrisulfanediyl)trisuccinate",[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]C(=O)CC(S[Sb](SC(CC(=O)[O-])C(=O)[O-])SC(CC(=O)[O-])C(=O)[O-])C(=O)[O-],[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]C(=O)CC(S[Sb](SC(CC(=O)[O-])C(=O)[O-])SC(CC(=O)[O-])C(=O)[O-])C(=O)[O-],"InChI=1/3C4H6O4S.6Li.Sb/c3*5-3(6)1-2(9)4(7)8;;;;;;;/h3*2,9H,1H2,(H,5,6)(H,7,8);;;;;;;/q;;;6*+1;+3/p-9/rC12H15O12S3Sb.6Li/c13-7(14)1-4(10(19)20)25-28(26-5(11(21)22)2-8(15)16)27-6(12(23)24)3-9(17)18;;;;;;/h4-6H,1-3H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;;;/q;6*+1/p-6",C4H6O4S.2Li.1/3Sb,,,,,,YECBTZNXNRHKJD-UHFFFAOYSA-E,,,,,,,,,,,
100.005.614,206-174-6,306-03-6,Hyoscyamine hydrobromide,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate hydrobromide,Br.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3,Br.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3,"InChI=1/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H",C17H23NO3.BrH,,,,,,VZDNSFSBCMCXSK-PGQIENJJSA-N,,,,,,,,,,,
100.005.615,206-175-1,306-07-0,Pargyline hydrochloride,N-benzyl-N-methylprop-2-yn-1-amine hydrochloride,Cl.CN(CC#C)Cc1ccccc1,Cl.CN(CC#C)Cc1ccccc1,"InChI=1/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h1,4-8H,9-10H2,2H3;1H",C11H13N.ClH,,,,,,BCXCABRDBBWWGY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.625,206-186-1,306-53-6,Azamethonium bromide,"2,2'-(methylimino)bis(N-ethyl-N,N-dimethylethanaminium) dibromide",[Br-].[Br-].CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC,[Br-].[Br-].CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC,"InChI=1/C13H33N3.2BrH/c1-8-15(4,5)12-10-14(3)11-13-16(6,7)9-2;;/h8-13H2,1-7H3;2*1H/q+2;;/p-2",C13H33N3.2Br,,,,,,UPCIBFUJJLCOQG-UHFFFAOYSA-L,,,,,,,,,,,
100.005.631,206-192-4,306-94-5,Perflunafene,octadecafluorodecahydronaphthalene,FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,"InChI=1/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16",C10F18,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18687,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.631,UWEYRJFJVCLAGH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.633,206-195-0,306-98-9,"1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-bis(trifluoromethyl)cyclohexane","1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-bis(trifluoromethyl)cyclohexane",FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F,"InChI=1/C8F16/c9-1(7(19,20)21)2(10,8(22,23)24)4(13,14)6(17,18)5(15,16)3(1,11)12",C8F16,,,,,,GHBZJUJZNRLHBI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.634,206-196-6,307-24-4,Undecafluorohexanoic acid,undecafluorohexanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)",C6HF11O2,,,,,,PXUULQAPEKKVAH-UHFFFAOYSA-N,Negative,,,,,,SM877154;EA271551|EA271552|EA271553|EA271554|EA271555|EA271557|EA271558|EA271559,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD90|HCD15|HCD30,268.9831:312.9727:225.9904;268.9834:312.9734|268.9833|118.9928|118.9921|118.9927|268.9836:312.9828|268.9828:312.9713|268.9821:118.9926:312.9834,CASMI_2016;Eawag
100.006.895,207-583-2,482-68-8,"Sarpagan-10,17-diol","sarpagan-10,17-diol",C\\C=C/1\\CN2[C@H]3Cc4c([nH]c5ccc(O)cc45)[C@@H]2C[C@@H]1C3CO,C\C=C/1\CN2[C@H]3Cc4c([nH]c5ccc(O)cc45)[C@@H]2C[C@@H]1C3CO,"InChI=1/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3",C19H22N2O2,,,,,,VTVQHYQGTTVKDE-BZDYDHNVSA-N,,,,,,,,,,,
100.006.906,207-595-8,483-60-3,"6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methylhex-4-enoic acid","6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid",OC(=O)CCC(C)=CCc2c(O)c1C(=O)OCc1c(C)c2OC,OC(=O)CCC(C)=CCc2c(O)c1C(=O)OCc1c(C)c2OC,"InChI=1/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)",C17H20O6,,,,,,HPNSFSBZBAHARI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.908,207-597-9,483-65-8,7-isopropyl-1-methylphenanthrene,7-isopropyl-1-methylphenanthrene,CC(C)c1ccc2c(ccc3c(C)cccc23)c1,CC(C)c1ccc2c(ccc3c(C)cccc23)c1,"InChI=1/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3",C18H18,,,,,,NXLOLUFNDSBYTP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.924,207-616-0,485-35-8,Cytisine,"1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one",O=C3/C=C\\C=C2/N3C[C@@H]1CNC[C@H]2C1,O=C3/C=C\C=C2/N3C[C@@H]1CNC[C@H]2C1,"InChI=1/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2",C11H14N2O,,,,,,ANJTVLIZGCUXLD-DTWKUNHWSA-N,,,,,,,,,,,
100.005.073,205-580-0,143-03-3,Octadecyl hydrogen sulphate,octadecyl hydrogen sulfate,CCCCCCCCCCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCCCCCCCCCOS(=O)(=O)O,"InChI=1/C18H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H,19,20,21)",C18H38O4S,,,,,,HVWGGPRWKSHASF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.079,205-586-3,143-14-6,Undec-9-enal,undec-9-enal,CC=CCCCCCCCC=O,CC=CCCCCCCCC=O,"InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,11H,4-10H2,1H3",C11H20O,,,,,,ZFMUIJVOIVHGCF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.341,205-873-3,182-55-8,"Spiro[1,3-benzodioxole-2,1'-cyclohexane]","spiro[1,3-benzodioxole-2,1'-cyclohexane]",C1CCC2(CC1)Oc3ccccc3O2,C1CCC2(CC1)Oc3ccccc3O2,"InChI=1/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2",C12H14O2,,,,,,SPXULWFZNXFRHI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.343,205-875-4,188-94-3,"Diindeno[1,2,3-cd:1',2',3'-lm]perylene","diindeno[1,2,3-cd:1',2',3'-lm]perylene",C1=CC2=C3C=CC4=C5C=CC6=C7C=CC=CC7=C8C=CC(=C9C=CC(=C2C=C1)C3=C49)C5=C68,C1=CC2=C3C=CC4=C5C=CC6=C7C=CC=CC7=C8C=CC(=C9C=CC(=C2C=C1)C3=C49)C5=C68,InChI=1/C32H16/c1-2-6-18-17(5-1)21-9-13-25-27-15-11-23-19-7-3-4-8-20(19)24-12-16-28(32(27)30(23)24)26-14-10-22(18)29(21)31(25)26/h1-16H,C32H16,,,,,,BKMIWBZIQAAZBD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.344,205-877-5,189-55-9,"Benzo(r,s,t)pentaphene",benzo[rst]pentaphene,c1ccc2c(c1)cc3ccc4cc5ccccc5c6ccc2c3c46,c1ccc2c(c1)cc3ccc4cc5ccccc5c6ccc2c3c46,InChI=1/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H,C24H14,,,,,,TUGYIJVAYAHHHM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.347,205-880-1,190-26-1,Ovalene,ovalene,c1cc2ccc3cc4ccc5ccc6ccc7cc8ccc1c9c2c3c%10c4c5c6c7c%10c89,c1cc2ccc3cc4ccc5ccc6ccc7cc8ccc1c9c2c3c%10c4c5c6c7c%10c89,InChI=1/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H,C32H14,,,,,,LSQODMMMSXHVCN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.352,205-885-9,191-27-5,"Acridino[2,1,9,8-klmna]acridine","acridino[2,1,9,8-klmna]acridine",c1cc2ccc3nc4cccc5ccc6nc(c1)c2c3c6c45,c1cc2ccc3nc4cccc5ccc6nc(c1)c2c3c6c45,InChI=1/C20H10N2/c1-3-11-7-9-16-19-17(11)13(5-1)21-15-10-8-12-4-2-6-14(22-16)18(12)20(15)19/h1-10H,C20H10N2,,,,,,QJFHKSYOIDHBGD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.359,205-893-2,193-39-5,"Indeno[1,2,3-cd]pyrene","indeno[1,2,3-cd]pyrene",c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56,c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56,InChI=1/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H,C22H12,,,,,,SXQBHARYMNFBPS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.364,205-899-5,197-61-5,Rubicene,rubicene,c1ccc2c(c1)c3cccc4c5c6ccccc6c7cccc(c2c34)c57,c1ccc2c(c1)c3cccc4c5c6ccccc6c7cccc(c2c34)c57,InChI=1/C26H14/c1-3-9-17-15(7-1)19-11-5-13-22-24-18-10-4-2-8-16(18)20-12-6-14-21(26(20)24)23(17)25(19)22/h1-14H,C26H14,,,,,,FMKFBRKHHLWKDB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.369,205-905-6,203-64-5,4H-cyclopenta[def]phenanthrene,4H-cyclopenta[def]phenanthrene,C1c2cccc3ccc4cccc1c4c23,C1c2cccc3ccc4cccc1c4c23,"InChI=1/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2",C15H10,,,,,,RKZDZWJDQTZDLD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.370,205-906-1,203-65-6,"4,5-epiminophenanthrene",4H-benzo[def]carbazole,c1cc2ccc3cccc4[nH]c(c1)c2c34,c1cc2ccc3cccc4[nH]c(c1)c2c34,"InChI=1/C14H9N/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-8,15H",C14H9N,,,,,,VQOUCGZKKPJLGH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.378,204-814-9,126-96-5,Sodium hydrogen di(acetate),sodium hydrogen diacetate,[Na+].CC(=O)[O-].CC(=O)[O-],[Na+].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-2",C2H4O2.1/2Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10200,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.378,BHZOKUMUHVTPBX-UHFFFAOYSA-L,,,,,,,,,,,
100.004.379,204-815-4,126-97-6,(2-hydroxyethyl)ammonium mercaptoacetate,2-hydroxyethanaminium sulfanylacetate,[NH3+]CCO.[O-]C(=O)CS,[NH3+]CCO.[O-]C(=O)CS,"InChI=1/C2H7NO.C2H4O2S/c3-1-2-4;3-2(4)1-5/h4H,1-3H2;5H,1H2,(H,3,4)",C2H7NO.C2H4O2S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10836,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.379,XTJCJAPNPGGFED-UHFFFAOYSA-N,,,,,,,,,,,
100.004.382,204-819-6,127-00-4,1-chloropropan-2-ol,1-chloropropan-2-ol,CC(O)CCl,CC(O)CCl,"InChI=1/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3",C3H7ClO,,,,,,YYTSGNJTASLUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.383,204-820-1,127-06-0,Acetone oxime,acetone oxime,CC(=NO)C,CC(=NO)C,"InChI=1/C3H7NO/c1-3(2)4-5/h5H,1-2H3",C3H7NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5744,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.383,PXAJQJMDEXJWFB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.385,204-822-2,127-08-2,Potassium acetate,potassium acetate,[K+].CC(=O)[O-],[K+].CC(=O)[O-],"InChI=1/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4O2.K,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15104,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.385,SCVFZCLFOSHCOH-UHFFFAOYSA-M,,,,,,,,,,,
100.004.387,204-824-3,127-17-3,Pyruvic acid,2-oxopropanoic acid,CC(=O)C(=O)O,CC(=O)C(=O)O,"InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)",C3H4O3,,,,,,LCTONWCANYUPML-UHFFFAOYSA-N,,,,,,,,,,,
100.005.080,205-587-9,143-15-7,1-bromododecane,1-bromododecane,CCCCCCCCCCCCBr,CCCCCCCCCCCCBr,"InChI=1/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",C12H25Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10302,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.080,PBLNBZIONSLZBU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.909,207-598-4,483-75-0,"1,2,4a,5,6,8a-hexahydro-1-isopropyl-4,7-dimethylnaphthalene","1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene",CC(C)C1CC=C(C)C2CCC(=CC12)C,CC(C)C1CC=C(C)C2CCC(=CC12)C,"InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3",C15H24,,,,,,QMAYBMKBYCGXDH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.912,207-602-4,484-17-3,Phenanthren-9-ol,phenanthren-9-ol,Oc1cc2ccccc2c3ccccc13,Oc1cc2ccccc2c3ccccc13,"InChI=1/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H",C14H10O,,,,,,DZKIUEHLEXLYKM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.913,207-604-5,484-20-8,"4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one","4-methoxy-7H-furo[3,2-g]chromen-7-one",COc1c2C=CC(=O)Oc2cc3occc13,COc1c2C=CC(=O)Oc2cc3occc13,"InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3",C12H8O4,,,,,,BGEBZHIAGXMEMV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.915,207-606-6,484-47-9,"2,4,5-triphenylimidazole","2,4,5-triphenyl-1H-imidazole",c1ccc(cc1)c2nc(c3ccccc3)c([nH]2)c4ccccc4,c1ccc(cc1)c2nc(c3ccccc3)c([nH]2)c4ccccc4,"InChI=1/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)",C21H16N2,,,,,,RNIPJYFZGXJSDD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.916,207-607-1,484-51-5,"6-hydroxy-4,7-dimethoxybenzofuran-5-yl methyl ketone","1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)ethanone",COc1c(O)c(C(=O)C)c(OC)c2ccoc12,COc1c(O)c(C(=O)C)c(OC)c2ccoc12,"InChI=1/C12H12O5/c1-6(13)8-9(14)12(16-3)11-7(4-5-17-11)10(8)15-2/h4-5,14H,1-3H3",C12H12O5,,,,,,GEUAWNMVARSYHO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.917,207-608-7,484-65-1,(chloromethyl)pentamethylbenzene,"1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene",Cc1c(C)c(C)c(CCl)c(C)c1C,Cc1c(C)c(C)c(CCl)c(C)c1C,"InChI=1/C12H17Cl/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H2,1-5H3",C12H17Cl,,,,,,CXUAEBDTJFKMBV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.920,207-611-3,485-19-8,"(S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-7-ol","1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol",COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O,COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O,"InChI=1/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3",C19H23NO4,,,,,,BHLYRWXGMIUIHG-HNNXBMFYSA-N,,,,,,,,,,,
100.006.922,207-613-4,485-33-6,"DL-6,7-dimethoxy-1-((3,4-dimethoxyphenyl)methyl)-2-methylisoquinoline hydrobromide trihydrate","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2-dihydroisoquinoline hydrobromide trihydrate",O.O.O.Br.COc1ccc(CC2N(C)C=Cc3cc(OC)c(OC)cc23)cc1OC,O.O.O.Br.COc1ccc(CC2N(C)C=Cc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C21H25NO4.BrH.3H2O/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3;;;;/h6-9,11-13,17H,10H2,1-5H3;1H;3*1H2",C17H19NO4,,,,,,UEIIEWQIMDSYAN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.931,207-623-9,485-72-3,7-hydroxy-3-(4-methoxyphenyl)-4-benzopyrone,7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one,COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,"InChI=1/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3",C16H12O4,,,,,,HKQYGTCOTHHOMP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.932,207-624-4,485-89-2,Oxycinchophen,3-hydroxy-2-phenylquinoline-4-carboxylic acid,OC(=O)c1c(O)c(nc2ccccc12)c3ccccc3,OC(=O)c1c(O)c(nc2ccccc12)c3ccccc3,"InChI=1/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)",C16H11NO3,,,,,,XAPRFLSJBSXESP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.640,206-202-7,307-51-7,Perfluorodecanesulphonyl fluoride,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonyl fluoride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1/C10F22O2S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34",C10F22O2S,,,,,,QMNUYVWNQITPHA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.643,206-205-3,307-60-8,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-12-iodododecane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-12-iodododecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38",C12F25I,,,,,,WBYCUETVRCXUPE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.644,206-206-9,307-62-0,Perfluorotetradecane,triacontafluorotetradecane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14F30/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44",C14F30,,,,,,HYZQZWDYBKVIRI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.646,206-209-5,307-70-0,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol",OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2",C11H4F20O,,,,,,GJYLSFCFHFUODO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.425,211-466-1,646-13-9,Isobutyl stearate,isobutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,"InChI=1/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3",C22H44O2,,,,,,ORFWYUFLWUWSFM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.428,211-469-8,646-20-8,Pimelonitrile,pimelonitrile,N#CCCCCCC#N,N#CCCCCCC#N,InChI=1/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2,C7H10N2,,,,,,LLEVMYXEJUDBTA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.431,211-472-4,646-30-0,Nonadecanoic acid,nonadecanoic acid,CCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)",C19H38O2,,,,,,ISYWECDDZWTKFF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.436,211-478-7,650-06-6,"1,4-dioxaspiro[4.11]hexadecane","1,4-dioxaspiro[4.11]hexadecane",C1CCCCCC2(CCCCC1)OCCO2,C1CCCCCC2(CCCCC1)OCCO2,InChI=1/C14H26O2/c1-2-4-6-8-10-14(15-12-13-16-14)11-9-7-5-3-1/h1-13H2,C14H26O2,,,,,,BMFLFTKDKRUVMF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.171,212-288-7,777-47-9,"2-hydroxyethyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","2-hydroxyethyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",OCCOC(=O)C1=CC(=O)NC(=O)N1,OCCOC(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C7H8N2O5/c10-1-2-14-6(12)4-3-5(11)9-7(13)8-4/h3,10H,1-2H2,(H2,8,9,11,13)",C7H8N2O5,,,,,,PGYQFUVZGAZRKS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.177,212-295-5,778-28-9,Butyl toluene-4-sulphonate,butyl 4-methylbenzenesulfonate,CCCCOS(=O)(=O)c1ccc(C)cc1,CCCCOS(=O)(=O)c1ccc(C)cc1,"InChI=1/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3",C11H16O3S,,,,,,QYJXDIUNDMRLAO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.192,212-311-0,782-08-1,"1,1'-(chloromethylene)bis[4-chlorobenzene]","1,1'-(chloromethylene)bis(4-chlorobenzene)",ClC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,ClC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C13H9Cl3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13H",C13H9Cl3,,,,,,LKBJQRZQDCMBBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.195,212-314-7,782-74-1,"1,2-bis(2-chlorophenyl)hydrazine","1,2-bis(2-chlorophenyl)hydrazine",Clc1ccccc1NNc2ccccc2Cl,Clc1ccccc1NNc2ccccc2Cl,"InChI=1/C12H10Cl2N2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8,15-16H",C12H10Cl2N2,,,,,,IWKMQNKKYZERHI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.196,212-315-2,784-04-3,9-anthryl methyl ketone,1-(9-anthryl)ethanone,CC(=O)c1c2ccccc2cc3ccccc13,CC(=O)c1c2ccccc2cc3ccccc13,"InChI=1/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3",C16H12O,,,,,,NXXNVJDXUHMAHU-UHFFFAOYSA-N,Positive,SM802503,[M+H]+,HCD35,221.0961:179.0855:178.0778,CASMI_2016,,,,,
100.011.198,212-317-3,784-50-9,9-oxofluoren-2-carboxylic acid,9-oxo-9H-fluorene-2-carboxylic acid,OC(=O)c1ccc2c3ccccc3C(=O)c2c1,OC(=O)c1ccc2c3ccccc3C(=O)c2c1,"InChI=1/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17)",C14H8O3,,,,,,BJCTXUUKONLPPK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.999,213-198-0,929-22-6,(E)-hept-4-enal,hept-4-enal,CC\\C=C\\CCC=O,CC\C=C\CCC=O,"InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3",C7H12O,,,,,,VVGOCOMZRGWHPI-ONEGZZNKSA-N,,,,,,,,,,,
100.012.003,213-203-6,929-59-9,"3,6-dioxaoctamethylenediamine","2,2'-[ethane-1,2-diylbis(oxy)]diethanamine",NCCOCCOCCN,NCCOCCOCCN,InChI=1/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2,C6H16N2O2,,,,,,IWBOPFCKHIJFMS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.004,213-204-1,929-62-4,1-(vinyloxy)octane,1-(vinyloxy)octane,CCCCCCCCOC=C,CCCCCCCCOC=C,"InChI=1/C10H20O/c1-3-5-6-7-8-9-10-11-4-2/h4H,2-3,5-10H2,1H3",C10H20O,,,,,,XXCVIFJHBFNFBO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.012,213-213-0,930-30-3,Cyclopenten-2-one,cyclopent-2-en-1-one,O=C1CCC=C1,O=C1CCC=C1,"InChI=1/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",C5H6O,,,,,,BZKFMUIJRXWWQK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.021,213-223-5,930-68-7,Cyclohex-2-enone,cyclohex-2-en-1-one,O=C1CCCC=C1,O=C1CCCC=C1,"InChI=1/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2",C6H8O,,,,,,FWFSEYBSWVRWGL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.028,213-230-3,931-19-1,2-methylpyridine 1-oxide,2-methylpyridine 1-oxide,Cc1cccc[n+]1[O-],Cc1cccc[n+]1[O-],"InChI=1/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",C6H7NO,,,,,,CFZKDDTWZYUZKS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.035,213-238-7,931-53-3,Cyclohexyl isocyanide,cyclohexyl isocyanide,[C-]#[N+]C1CCCCC1,[C-]#[N+]C1CCCCC1,"InChI=1/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2",C7H11N,,,,,,XYZMOVWWVXBHDP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.044,213-248-1,932-17-2,1-acetylpyrrolidin-2-one,1-acetylpyrrolidin-2-one,CC(=O)N1CCCC1=O,CC(=O)N1CCCC1=O,"InChI=1/C6H9NO2/c1-5(8)7-4-2-3-6(7)9/h2-4H2,1H3",C6H9NO2,,,,,,YLHUPYSUKYAIBW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.046,213-250-2,932-31-0,Bromo-o-tolylmagnesium,bromo(2-methylphenyl)magnesium,Cc1ccccc1[Mg]Br,Cc1ccccc1[Mg]Br,"InChI=1/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1/rC7H7BrMg/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3",C7H7BrMg,,,,,,DVXDIGKNJYSMFM-UHFFFAOYSA-M,,,,,,,,,,,
100.012.047,213-251-8,932-35-4,3-hydroxypyridine-2-carbonitrile,3-hydroxypyridine-2-carbonitrile,Oc1cccnc1C#N,Oc1cccnc1C#N,"InChI=1/C6H4N2O/c7-4-5-6(9)2-1-3-8-5/h1-3,9H",C6H4N2O,,,,,,XTVFTOVNAKNVQK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.925,207-617-6,485-41-6,Sulfachrysoidine,"3,5-diamino-2-[(4-sulfamoylphenyl)diazenyl]benzoic acid",Nc2cc(N)cc(c2N=Nc1ccc(cc1)S(N)(=O)=O)C(O)=O,Nc2cc(N)cc(c2N=Nc1ccc(cc1)S(N)(=O)=O)C(O)=O,"InChI=1/C13H13N5O4S/c14-7-5-10(13(19)20)12(11(15)6-7)18-17-8-1-3-9(4-2-8)23(16,21)22/h1-6H,14-15H2,(H,19,20)(H2,16,21,22)",C13H13N5O4S,,,,,,ZELCNSAUMHNSSU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.928,207-620-2,485-64-3,"(8a,9R)-10,11-dihydrocinchonan-9-ol","10,11-dihydrocinchonan-9-ol",CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccccc34,CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccccc34,"InChI=1/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3",C19H24N2O,,,,,,WFJNHVWTKZUUTR-KODHJQJWSA-N,,,,,,,,,,,
100.006.936,207-629-1,486-17-9,Captodiame,"2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)-N,N-dimethylethanamine",CCCCSc1ccc(cc1)C(SCCN(C)C)c2ccccc2,CCCCSc1ccc(cc1)C(SCCN(C)C)c2ccccc2,"InChI=1/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3",C21H29NS2,,,,,,IZLPZXSZLLELBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.943,207-637-5,486-67-9,Mersalyl acid,(3-{[2-(carboxymethoxy)benzoyl]amino}-2-methoxypropyl)(hydroxy)mercury,COC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O,COC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O,"InChI=1/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1/rC13H17HgNO6/c1-20-9(6-14-19)7-15-13(18)10-4-2-3-5-11(10)21-8-12(16)17/h2-5,9,19H,6-8H2,1H3,(H,15,18)(H,16,17)",C13H16HgNO6.H,,,,,,HQRSUIDICNOLPX-UHFFFAOYSA-M,,,,,,,,,,,
100.005.645,206-207-4,307-63-1,Nonacosafluoro-1-iodotetradecane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-14-iodotetradecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C14F29I/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44",C14F29I,,,,,,MHIPPKXKESHCIO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.650,206-213-7,308-24-7,Undecafluorocyclohexane,undecafluorocyclohexane,FC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C6HF11/c7-1-2(8,9)4(12,13)6(16,17)5(14,15)3(1,10)11/h1H",C6HF11,,,,,,AWQSRASHARXGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.653,206-216-3,309-29-5,Doxapram,"1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one",CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4,CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4,"InChI=1/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3",C24H30N2O2,,,,,,XFDJYSQDBULQSI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.657,206-221-0,311-45-5,Diethyl 4-nitrophenyl phosphate,diethyl 4-nitrophenyl phosphate,CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-],CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",C10H14NO6P,,,,,,WYMSBXTXOHUIGT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.660,206-224-7,312-30-1,Bis(4-fluoro-3-nitrophenyl)sulphone,"1,1'-sulfonylbis(4-fluoro-3-nitrobenzene)",[O-][N+](=O)c1cc(ccc1F)S(=O)(=O)c2ccc(F)c(c2)[N+](=O)[O-],[O-][N+](=O)c1cc(ccc1F)S(=O)(=O)c2ccc(F)c(c2)[N+](=O)[O-],"InChI=1/C12H6F2N2O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H",C12H6F2N2O6S,,,,,,KHAWDEWNXJIVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.662,206-226-8,312-40-3,Difluorodiphenylsilane,difluoro(diphenyl)silane,F[Si](F)(c1ccccc1)c2ccccc2,F[Si](F)(c1ccccc1)c2ccccc2,"InChI=1/C12H10F2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10F2Si,,,,,,BOMPXIHODLVNMC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.669,206-234-1,312-95-8,"a,a,a,a',a'-pentafluoro-o-xylene",1-(difluoromethyl)-2-(trifluoromethyl)benzene,FC(F)c1ccccc1C(F)(F)F,FC(F)c1ccccc1C(F)(F)F,"InChI=1/C8H5F5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H",C8H5F5,,,,,,LYADDKODNUCIMF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.679,206-245-1,314-40-9,Bromacil,"5-bromo-3-sec-butyl-6-methylpyrimidine-2,4(1H,3H)-dione",CCC(C)N1C(=O)NC(=C(Br)C1=O)C,CCC(C)N1C(=O)NC(=C(Br)C1=O)C,"InChI=1/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)",C9H13BrN2O2,,,,,,CTSLUCNDVMMDHG-UHFFFAOYSA-N,Positive/Negative,EA026601|EA026602|EA026603|EA026604|EA026605|EA026606|EA026607|EA026608|EA026609|EA026610|EA026611|EA026612|EA026613|EA026614,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,204.9611|204.961:261.0235:206.9557|204.9608:261.0232:187.9334|204.9608:187.9343:161.955|204.9607:187.9342:161.9549|204.9608:187.9343:161.955|131.9444:187.9344:161.955|204.9609:261.0234|204.9608:261.0232:161.9552|204.9609:187.9342:161.955|204.9609:187.9343:161.955|204.9607:187.9342:161.9549|131.9444:187.9342:161.9549|204.9608:206.9561,Eawag,EA026651|EA026652|EA026653|EA026654|EA026655|EA026656|EA026657|EA026658|EA026659|EA026660|EA026661|EA026662|EA026663|EA026664,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,202.9466:78.9189:159.9407|259.0089|259.0089:202.9462:78.9188|202.9463:259.0087:78.9189|78.9189:202.9462:259.0088|78.9189:202.9459|78.9188|259.0087|259.0089:202.9462:78.9188|202.9462:259.0088:78.9189|78.9189:202.9461:259.008|78.9189:202.9458|78.9189|202.9463:78.9189:159.9403,Eawag
100.005.683,206-249-3,315-18-4,Mexacarbate,"4-(dimethylamino)-3,5-dimethylphenyl methylcarbamate",CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1,CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1,"InChI=1/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)",C12H18N2O2,,,,,,YNEVBPNZHBAYOA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.684,206-250-9,315-30-0,Allopurinol,"1H-pyrazolo[3,4-d]pyrimidin-4-ol",Oc1ncnc2[nH]ncc12,Oc1ncnc2[nH]ncc12,"InChI=1/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",C5H4N4O,,,,,,OFCNXPDARWKPPY-UHFFFAOYSA-N,Positive/Negative,EQ333601|EQ333602|EQ333603|EQ333604|EQ333605|EQ333606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,137.0459:110.0349:94.0399|137.0459:110.0349:94.04|137.0459:110.0349:94.0399|137.0458:110.0349:94.04|137.0458:110.0349:94.04|110.0349:137.0458:94.0399,Eawag,EQ333651|EQ333652|EQ333653|EQ333654|EQ333655|EQ333656,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,135.0312:92.0254:107.0251|135.0312:92.0254:107.0251|135.0312:92.0254:107.0251|92.0254:135.0312:64.0192|92.0254:64.0192:135.0313|92.0254:64.0192:65.0145,Eawag
100.005.082,205-590-5,143-18-0,Potassium oleate,potassium octadec-9-enoate,[K+].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[K+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H34O2.K,,,,,,MLICVSDCCDDWMD-KVVVOXFISA-M,,,,,,,,,,,
100.005.083,205-591-0,143-19-1,Sodium oleate,sodium octadec-9-enoate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H34O2.Na,,,,,,BCKXLBQYZLBQEK-KVVVOXFISA-M,,,,,,,,,,,
100.005.088,205-596-8,143-27-1,Hexadecylamine,hexadecan-1-amine,CCCCCCCCCCCCCCCCN,CCCCCCCCCCCCCCCCN,"InChI=1/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3",C16H35N,,,,,,FJLUATLTXUNBOT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.094,205-602-9,143-57-7,"[3ß(S),4a,6a,7a,15a(R),16ß]-4,9-epoxycevane-3,4,6,7,14,15,16,20-octol 6,7-diacetate 3-(2-hydroxy-2-methylbutyrate) 15-(2-methylbutyrate)","6,7-diacetoxy-4,14,16,20-tetrahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2-hydroxy-2-methylbutanoate",CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C4CC56OC7(O)C(CCC5(C)C7C(OC(=O)C)C(OC(=O)C)C6C14O)OC(=O)C(C)(O)CC,CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C4CC56OC7(O)C(CCC5(C)C7C(OC(=O)C)C(OC(=O)C)C6C14O)OC(=O)C(C)(O)CC,"InChI=1/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3",C41H63NO14,,,,,,HYTGGNIMZXFORS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.102,205-611-8,143-81-7,Sodium 5-(sec-butyl)-5-ethylbarbiturate,"sodium 5-sec-butyl-5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC(C)C1(CC)C(=O)NC(=NC1=O)[O-],[Na+].CCC(C)C1(CC)C(=O)NC(=NC1=O)[O-],"InChI=1/C10H16N2O3.Na/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14;/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15);/q;+1/p-1",C10H16N2O3.Na,,,,,,QORQZMBCPRBCAB-UHFFFAOYSA-M,,,,,,,,,,,
100.005.104,205-613-9,144-02-5,Barbital sodium,"sodium 5,5-diethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1(CC)C(=O)NC(=NC1=O)[O-],[Na+].CCC1(CC)C(=O)NC(=NC1=O)[O-],"InChI=1/C8H12N2O3.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1",C8H12N2O3.Na,,,,,,RGHFKWPGWBFQLN-UHFFFAOYSA-M,,,,,,,,,,,
100.005.125,205-636-4,144-68-3,"(3R,3'R)-ß,ß-carotene-3,3'-diol","beta,beta-carotene-3,3'-diol",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)\\C=C\\C=C(/C)\\C=C\\C2=C(C)C[C@@H](O)CC2(C)C,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@@H](O)CC2(C)C,"InChI=1/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3",C40H56O2,,,,,,JKQXZKUSFCKOGQ-QAYBQHTQSA-N,,,,,,,,,,,
100.005.126,205-638-5,144-74-1,Sulfathiazole sodium,"sodium [(4-aminophenyl)sulfonyl](1,3-thiazol-2-yl)azanide",[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c2nccs2,[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c2nccs2,"InChI=1/C9H8N3O2S2.Na/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;/h1-6H,10H2;/q-1;+1",C9H9N3O2S2.Na,,,,,,GWIJGCIVKLITQK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.132,205-644-8,144-90-1,2-(aminomethyl)propionic acid,3-amino-2-methylpropanoic acid,CC(CN)C(=O)O,CC(CN)C(=O)O,"InChI=1/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2,,,,,,QCHPKSFMDHPSNR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.136,205-649-5,145-14-2,(20S)-20-hydroxypregn-4-en-3-one,20-hydroxypregn-4-en-3-one,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3",C21H32O2,,,,,,RWBRUCCWZPSBFC-RXRZZTMXSA-N,,,,,,,,,,,
100.005.137,205-650-0,145-15-3,(20R)-20-hydroxypregn-4-en-3-one,20-hydroxypregn-4-en-3-one,C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3",C21H32O2,,,,,,RWBRUCCWZPSBFC-SJOKZOANSA-N,,,,,,,,,,,
100.005.138,205-651-6,145-39-1,"1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene","1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene",Cc1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],Cc1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],"InChI=1/C13H18N2O4/c1-7-8(2)11(14(16)17)10(13(4,5)6)12(9(7)3)15(18)19/h1-6H3",C13H18N2O4,,,,,,MINYPECWDZURGR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.152,205-666-8,146-28-1,Thiopropazate dihydrochloride,2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl acetate dihydrochloride,Cl.Cl.CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,Cl.Cl.CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C23H28ClN3O2S.2ClH/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27;;/h2-3,5-8,17H,4,9-16H2,1H3;2*1H",C23H28ClN3O2S.2ClH,,,,,,DRLLEHPFGRESBT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.647,206-210-0,307-71-1,"Potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoate","potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoate",[K+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,[K+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C11H2F20O2.K/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33;/h1H,(H,32,33);/q;+1/p-1",C11H2F20O2.K,,,,,,QFSOSTRDKOQRKA-UHFFFAOYSA-M,,,,,,,,,,,
100.005.648,206-211-6,307-87-9,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl acrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C12H5F17O2/c1-2-4(30)31-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2",C12H5F17O2,,,,,,BZYSOYLWVDQYMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.654,206-217-9,309-36-4,Methohexital sodium,"sodium 5-allyl-1-methyl-5-(1-methylpent-2-yn-1-yl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O,[Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O,"InChI=1/C14H18N2O3.Na/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18;/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19);/q;+1/p-1",C14H18N2O3.Na,,,,,,KDXZREBVGAGZHS-UHFFFAOYSA-M,,,,,,,,,,,
100.005.656,206-220-5,311-28-4,Tetrabutylammonium iodide,"N,N,N-tributylbutan-1-aminium iodide",[I-].CCCC[N+](CCCC)(CCCC)CCCC,[I-].CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",C16H36N.I,,,,,,DPKBAXPHAYBPRL-UHFFFAOYSA-M,,,,,,,,,,,
100.005.658,206-222-6,311-46-6,Ethyl (dimethoxyphosphinoyl)acetate,ethyl (dimethoxyphosphoryl)acetate,CCOC(=O)CP(=O)(OC)OC,CCOC(=O)CP(=O)(OC)OC,"InChI=1/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3",C6H13O5P,,,,,,HUNISAHOCCASGM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.661,206-225-2,312-31-2,1-fluoro-4-(phenylsulphonyl)benzene,1-fluoro-4-(phenylsulfonyl)benzene,Fc1ccc(cc1)S(=O)(=O)c2ccccc2,Fc1ccc(cc1)S(=O)(=O)c2ccccc2,"InChI=1/C12H9FO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H",C12H9FO2S,,,,,,MONGUDQJUIVFPI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.671,206-236-2,313-04-2,"Cholesta-5,24-dien-3-ß-ol","cholesta-5,24-dien-3-ol",C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3",C27H44O,,,,,,AVSXSVCZWQODGV-DPAQBDIFSA-N,,,,,,,,,,,
100.005.674,206-239-9,313-72-4,Octafluoronaphthalene,octafluoronaphthalene,Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F,Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F,InChI=1/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12,C10F8,,,,,,JDCMOHAFGDQQJX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.676,206-242-5,314-13-6,"Tetrasodium 6,6'-((3,3'-dimethyl-(1,1'-biphenyl-4,4'diyl)bis(azo)bis(4-amino-5-hydroxy-1,3-naphthalenedisulphonate)","tetrasodium 6,6'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)",[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)c4,[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)c4,"InChI=1/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H28N6O14S4.4Na,,,,,,ATNOAWAQFYGAOY-UHFFFAOYSA-J,,,,,,,,,,,
100.005.678,206-244-6,314-35-2,Etamiphyllin,"7-[2-(diethylamino)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CCN(CC)CCn1cnc2N(C)C(=O)N(C)C(=O)c12,CCN(CC)CCn1cnc2N(C)C(=O)N(C)C(=O)c12,"InChI=1/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3",C13H21N5O2,,,,,,AWKLBIOQCIORSB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.686,206-253-5,315-37-7,Testosterone enantate,3-oxoandrost-4-en-17-yl heptanoate,CCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,"InChI=1/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3",C26H40O3,,,,,,VOCBWIIFXDYGNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.688,206-255-6,315-80-0,Dibenzepin hydrochloride,"10-[2-(dimethylamino)ethyl]-5-methyl-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one hydrochloride",Cl.CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13,Cl.CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13,"InChI=1/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H",C18H21N3O.ClH,,,,,,RJPZIQRLRMWPRF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.578,210-534-8,617-85-6,Triethylstibine,triethylstibine,CC[Sb](CC)CC,CC[Sb](CC)CC,"InChI=1/3C2H5.Sb/c3*1-2;/h3*1H2,2H3;/rC6H15Sb/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15Sb,,,,,,KKOFCVMVBJXDFP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.585,210-542-1,618-27-9,cis-4-hydroxy-L-proline,4-hydroxy-L-proline,OC(=O)[C@@H]1C[C@H](O)CN1,OC(=O)[C@@H]1C[C@H](O)CN1,"InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)",C5H9NO3,,,,,,PMMYEEVYMWASQN-IMJSIDKUSA-N,,,,,,,,,,,
100.009.591,210-548-4,618-41-7,Benzenesulphinic acid,benzenesulfinic acid,OS(=O)c1ccccc1,OS(=O)c1ccccc1,"InChI=1/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)",C6H6O2S,,,,,,JEHKKBHWRAXMCH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.593,210-551-0,618-45-1,3-isopropylhydroxybenzene,3-isopropylphenol,CC(C)c1cccc(O)c1,CC(C)c1cccc(O)c1,"InChI=1/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3",C9H12O,,,,,,VLJSLTNSFSOYQR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.596,210-554-7,618-48-4,m-chlorobenzamide,3-chlorobenzamide,NC(=O)c1cccc(Cl)c1,NC(=O)c1cccc(Cl)c1,"InChI=1/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)",C7H6ClNO,,,,,,MJTGQALMWUUPQM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.605,210-564-1,618-82-6,Sulfarsphenamine,"disodium {diarsene-1,2-diylbis[(6-hydroxy-3,1-phenylene)imino]}dimethanesulfonate",[Na+].[Na+].Oc1ccc(cc1NCS([O-])(=O)=O)[As]=[As]c2ccc(O)c(NCS([O-])(=O)=O)c2,[Na+].[Na+].Oc1ccc(cc1NCS([O-])(=O)=O)[As]=[As]c2ccc(O)c(NCS([O-])(=O)=O)c2,"InChI=1/C14H16As2N2O8S2.2Na/c19-13-3-1-9(5-11(13)17-7-27(21,22)23)15-16-10-2-4-14(20)12(6-10)18-8-28(24,25)26;;/h1-6,17-20H,7-8H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C14H16As2N2O8S2.2Na,,,,,,BPRGSDPGYCSOSJ-UHFFFAOYSA-L,,,,,,,,,,,
100.009.613,210-573-0,618-95-1,Methyl 3-nitrobenzoate,methyl 3-nitrobenzoate,COC(=O)c1cccc(c1)[N+](=O)[O-],COC(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3",C8H7NO4,,,,,,AXLYJLKKPUICKV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.617,210-577-2,619-05-6,"3,4-diaminobenzoic acid","3,4-diaminobenzoic acid",Nc1ccc(cc1N)C(=O)O,Nc1ccc(cc1N)C(=O)O,"InChI=1/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11)",C7H8N2O2,,,,,,HEMGYNNCNNODNX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.622,210-583-5,619-17-0,4-nitroanthranilic acid,2-amino-4-nitrobenzoic acid,Nc1cc(ccc1C(=O)O)[N+](=O)[O-],Nc1cc(ccc1C(=O)O)[N+](=O)[O-],"InChI=1/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11)",C7H6N2O4,,,,,,UEALKTCRMBVTFN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.625,211-686-8,686-10-2,"N,N-diethyl-1,2,2-trichlorovinylamine","1,2,2-trichloro-N,N-diethylethenamine",CCN(CC)C(=C(Cl)Cl)Cl,CCN(CC)C(=C(Cl)Cl)Cl,"InChI=1/C6H10Cl3N/c1-3-10(4-2)6(9)5(7)8/h3-4H2,1-2H3",C6H10Cl3N,,,,,,DVSJBCFGNHBBKG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.627,211-688-9,686-50-0,N-L-leucylglycine,L-leucylglycine,CC(C)C[C@H](N)C(=O)NCC(=O)O,CC(C)C[C@H](N)C(=O)NCC(=O)O,"InChI=1/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)",C8H16N2O3,,,,,,LESXFEZIFXFIQR-LURJTMIESA-N,,,,,,,,,,,
100.010.629,211-691-5,686-83-9,(1-carboxylatotridecyl)trimethylammonium,2-(trimethylammonio)tetradecanoate,CCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C,CCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C,"InChI=1/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16(17(19)20)18(2,3)4/h16H,5-15H2,1-4H3",C17H35NO2,,,,,,LVBSECZFJBGOCR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.437,211-479-2,650-51-1,TCA,sodium trichloroacetate,[Na+].ClC(Cl)(Cl)C([O-])=O,[Na+].ClC(Cl)(Cl)C([O-])=O,"InChI=1/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HCl3O2.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10489,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.437,SAQSTQBVENFSKT-UHFFFAOYSA-M,,,,,,,,,,,
100.010.445,211-488-1,652-31-3,"2,3,4,5,6-pentafluorobenzamide","2,3,4,5,6-pentafluorobenzamide",NC(=O)c1c(F)c(F)c(F)c(F)c1F,NC(=O)c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C7H2F5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)",C7H2F5NO,,,,,,WPWWHXPRJFDTTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.449,211-492-3,652-67-5,"1,4:3,6-dianhydro-D-glucitol","1,4:3,6-dianhydro-D-glucitol",O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12,O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12,"InChI=1/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2",C6H10O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5661,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.449,KLDXJTOLSGUMSJ-JGWLITMVSA-N,,,,,,,,,,,
100.010.453,211-497-0,653-21-4,(pentafluorophenyl)acetic acid,(pentafluorophenyl)acetic acid,OC(=O)Cc1c(F)c(F)c(F)c(F)c1F,OC(=O)Cc1c(F)c(F)c(F)c(F)c1F,"InChI=1/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)",C8H3F5O2,,,,,,LGCODSNZJOVMHV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.459,211-503-1,653-63-4,2'-deoxyadenosine 5'-(dihydrogen phosphate),9-(2-deoxy-5-O-phosphonopentofuranosyl)-9H-purin-6-amine,Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)O)O3,Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)O)O3,"InChI=1/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)",C10H14N5O6P,,,,,,KHWCHTKSEGGWEX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.465,211-509-4,655-32-3,"2,2,2-trifluoro-1-(4-fluorophenyl)ethan-1-one","2,2,2-trifluoro-1-(4-fluorophenyl)ethanone",Fc1ccc(cc1)C(=O)C(F)(F)F,Fc1ccc(cc1)C(=O)C(F)(F)F,"InChI=1/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H",C8H4F4O,,,,,,LUKLMXJAEKXROG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.685,206-251-4,315-33-3,"Pregn-4-ene-3,20-dione, 21,21'-[phosphinicobis(oxy)]bis[11,17-dihydroxy-, monosodium salt, (11ß)-",-,[Na+].C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COP(=O)(O)OCC(=O)[C@@]5(O)CC[C@H]6[C@@H]7CCC8=CC(=O)CC[C@]8(C)[C@H]7[C@@H](O)C[C@]56C)[C@@]4(C)C[C@H](O)[C@H]23,[Na+].C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COP(=O)(O)OCC(=O)[C@@]5(O)CC[C@H]6[C@@H]7CCC8=CC(=O)CC[C@]8(C)[C@H]7[C@@H](O)C[C@]56C)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C42H59O12P.Na/c1-37-13-9-25(43)17-23(37)5-7-27-29-11-15-41(49,39(29,3)19-31(45)35(27)37)33(47)21-53-55(51,52)54-22-34(48)42(50)16-12-30-28-8-6-24-18-26(44)10-14-38(24,2)36(28)32(46)20-40(30,42)4;/h17-18,27-32,35-36,45-46,49-50H,5-16,19-22H2,1-4H3,(H,51,52);/q;+1",C42H59O12P.Na,,,,,,PPNZBHFUFIZBNN-SFDAJULSSA-N,,,,,,,,,,,
100.005.697,206-265-0,317-52-2,Hexafluronium bromide,"N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethylhexane-1,6-diaminium dibromide",[Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2c3ccccc13)C4c5ccccc5c6ccccc46,[Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2c3ccccc13)C4c5ccccc5c6ccccc46,"InChI=1/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2",C36H42N2.2Br,,,,,,WDEFPRUEZRUYNW-UHFFFAOYSA-L,,,,,,,,,,,
100.005.699,206-267-1,318-23-0,Imolamine,"N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4(5H)-yl)ethanamine",CCN(CC)CCN1C(=N)ON=C1c2ccccc2,CCN(CC)CCN1C(=N)ON=C1c2ccccc2,"InChI=1/C14H20N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3",C14H20N4O,,,,,,MGSPDRWOUCPKNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.703,206-271-3,319-85-7,"(1a,2ß,3a,4ß,5a,6ß)-1,2,3,4,5,6-hexachlorocyclohexane","1,2,3,4,5,6-hexachlorocyclohexane",Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,C6H6Cl6,,,,,,JLYXXMFPNIAWKQ-CDRYSYESSA-N,,,,,,,,,,,
100.005.709,206-278-1,320-60-5,"2,4-dichloro-a,a,a-trifluorotoluene","2,4-dichloro-1-(trifluoromethyl)benzene",FC(F)(F)c1ccc(Cl)cc1Cl,FC(F)(F)c1ccc(Cl)cc1Cl,"InChI=1/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H",C7H3Cl2F3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6737,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.709,KALSHRGEFLVFHE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.719,206-289-1,321-55-1,Haloxon,bis(2-chloroethyl) 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl phosphate,CC1=C(Cl)C(=O)Oc2cc(OP(=O)(OCCCl)OCCCl)ccc12,CC1=C(Cl)C(=O)Oc2cc(OP(=O)(OCCCl)OCCCl)ccc12,"InChI=1/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3",C14H14Cl3O6P,,,,,,KULDXINYXFTXMO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.721,206-291-2,321-64-2,Tacrine,"1,2,3,4-tetrahydroacridin-9-amine",Nc1c2CCCCc2nc3ccccc13,Nc1c2CCCCc2nc3ccccc13,"InChI=1/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)",C13H14N2,,,,,,YLJREFDVOIBQDA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.727,206-298-0,322-97-4,7-(trifluorophenyl)quinolin-4-ol,"7-(2,3,4-trifluorophenyl)quinolin-4-ol",Fc3ccc(c1cc2nccc(O)c2cc1)c(F)c3F,Fc3ccc(c1cc2nccc(O)c2cc1)c(F)c3F,"InChI=1/C15H8F3NO/c16-11-4-3-9(14(17)15(11)18)8-1-2-10-12(7-8)19-6-5-13(10)20/h1-7H,(H,19,20)",C10H6F3NO,,,,,,SIYYUGJLIUFRLD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.736,206-308-3,326-43-2,a-[(2-pyridylamino)methyl]benzyl alcohol monohydrochloride,1-phenyl-2-(pyridin-2-ylamino)ethanol hydrochloride,Cl.OC(CNc1ccccn1)c2ccccc2,Cl.OC(CNc1ccccn1)c2ccccc2,"InChI=1/C13H14N2O.ClH/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13;/h1-9,12,16H,10H2,(H,14,15);1H",C13H14N2O.ClH,,,,,,HYYDHUILGLWOOP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.738,206-310-4,326-58-9,"Benzo-1,3-dioxol-5-ol acetate","1,3-benzodioxol-5-yl acetate",CC(=O)Oc1ccc2OCOc2c1,CC(=O)Oc1ccc2OCOc2c1,"InChI=1/C9H8O4/c1-6(10)13-7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3",C9H8O4,,,,,,QNJMUNKUQDDPCI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.740,206-313-0,326-62-5,2-fluorophenylacetonitrile,(2-fluorophenyl)acetonitrile,Fc1ccccc1CC#N,Fc1ccccc1CC#N,"InChI=1/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2",C8H6FN,,,,,,DAVJMKMVLKOQQC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.741,206-314-6,326-66-9,N-(4-bromo-2-fluorophenyl)acetamide,N-(4-bromo-2-fluorophenyl)acetamide,CC(=O)Nc1ccc(Br)cc1F,CC(=O)Nc1ccc(Br)cc1F,"InChI=1/C8H7BrFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)",C8H7BrFNO,,,,,,BCYGKMDWQBWUSC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.747,206-320-9,327-56-0,D-(-)-norleucine,D-norleucine,CCCC[C@@H](N)C(=O)O,CCCC[C@@H](N)C(=O)O,"InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",C6H13NO2,,,,,,LRQKBLKVPFOOQJ-RXMQYKEDSA-N,,,,,,,,,,,
100.005.758,206-332-4,328-55-2,"2,6,7-trioxa-1-stibabicyclo[2.2.1]heptane","2,6,7-trioxa-1-stibabicyclo[2.2.1]heptane",C1O[Sb]2OCC1O2,C1O[Sb]2OCC1O2,"InChI=1/C3H5O3.Sb/c4-1-3(6)2-5;/h3H,1-2H2;/q-3;+3/rC3H5O3Sb/c1-3-2-5-7(4-1)6-3/h3H,1-2H2",C3H5O3Sb,,,,,,GDFYOXWTRKCZCT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.760,206-335-0,328-74-5,"a,a,a,a',a',a'-hexafluoro-3,5-xylidine","3,5-bis(trifluoromethyl)aniline",Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F,Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2",C8H5F6N,,,,,,CDIDGWDGQGVCIB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.153,205-667-3,146-36-1,"6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine","6-allyl-6,7-dihydro-5H-dibenzo[c,e]azepine",C=CCN1Cc2ccccc2c3ccccc3C1,C=CCN1Cc2ccccc2c3ccccc3C1,"InChI=1/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2",C17H17N,,,,,,NYGHGTMKALXFIA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.158,205-673-6,146-54-3,Triflupromazine,"N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-amine",CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,"InChI=1/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3",C18H19F3N2S,,,,,,XSCGXQMFQXDFCW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.162,205-677-8,146-72-5,3-O-methyl-D-glucose,3-O-methyl-D-glucose,CO[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO,CO[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO,"InChI=1/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h3-8,10-12H,2H2,1H3",C7H14O6,,,,,,RMTFNDVZYPHUEF-XZBKPIIZSA-N,,,,,,,,,,,
100.005.165,205-680-4,146-81-6,"2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid",2-(4-tert-butylbenzoyl)benzoic acid,CC(C)(C)c1ccc(cc1)C(=O)c2ccccc2C(=O)O,CC(C)(C)c1ccc(cc1)C(=O)c2ccccc2C(=O)O,"InChI=1/C18H18O3/c1-18(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)17(20)21/h4-11H,1-3H3,(H,20,21)",C18H18O3,,,,,,KFTGETZSJFJXEO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.167,205-683-0,146-92-9,Adenosine N1-oxide,adenosine1-oxide,Nc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc[n+]1[O-],Nc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc[n+]1[O-],"InChI=1/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10,16-18H,1,11H2",C10H13N5O5,,,,,,VYSCKHGOLQAMAT-KQYNXXCUSA-N,,,,,,,,,,,
100.005.175,205-691-4,147-55-7,Pheneticillin,"3,3-dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O,CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O,"InChI=1/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)",C17H20N2O5S,,,,,,NONJJLVGHLVQQM-JHXYUMNGSA-N,,,,,,,,,,,
100.005.176,205-693-5,147-58-0,2-iodohippuric acid,N-(2-iodobenzoyl)glycine,OC(=O)CNC(=O)c1ccccc1I,OC(=O)CNC(=O)c1ccccc1I,"InChI=1/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)",C9H8INO3,,,,,,CORFWQGVBFFZHF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.177,205-694-0,147-61-5,5-hydroxymethyl-6-methyluracil,"5-(hydroxymethyl)-6-methylpyrimidine-2,4(1H,3H)-dione",CC1=C(CO)C(=O)NC(=O)N1,CC1=C(CO)C(=O)NC(=O)N1,"InChI=1/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)",C6H8N2O3,,,,,,XBAVGYMDOXCWQU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.184,205-701-7,147-84-2,Diethyldithiocarbamic acid,diethylcarbamodithioic acid,CCN(CC)C(=S)S,CCN(CC)C(=S)S,"InChI=1/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)",C5H11NS2,,,,,,LMBWSYZSUOEYSN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.188,205-705-9,147-94-4,Cytarabine,4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O,"InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)",C9H13N3O5,,,,,,UHDGCWIWMRVCDJ-CCXZUQQUSA-N,,,,,,,,,,,
100.005.189,205-706-4,148-01-6,Dinitolmide,"2-methyl-3,5-dinitrobenzamide",Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N,"InChI=1/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)",C8H7N3O5,,,,,,ZEFNOZRLAWVAQF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.196,205-714-8,148-51-6,"3-hydroxy-5-hydroxymethyl-2,4-dimethylpyridinium chloride","3-hydroxy-5-(hydroxymethyl)-2,4-dimethylpyridinium chloride",[Cl-].Cc1[nH+]cc(CO)c(C)c1O,[Cl-].Cc1[nH+]cc(CO)c(C)c1O,"InChI=1/C8H11NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,10-11H,4H2,1-2H3;1H",C8H11NO2.ClH,,,,,,QZKKOQQIVLXUEI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.198,205-716-9,148-54-9,5-amino-2-[(2-methoxyphenyl)amino]benzenesulphonic acid,5-amino-2-[(2-methoxyphenyl)amino]benzenesulfonic acid,COc1ccccc1Nc2ccc(N)cc2S(=O)(=O)O,COc1ccccc1Nc2ccc(N)cc2S(=O)(=O)O,"InChI=1/C13H14N2O4S/c1-19-12-5-3-2-4-10(12)15-11-7-6-9(14)8-13(11)20(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18)",C13H14N2O4S,,,,,,KWQMSQIIPCKLHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.204,205-723-7,148-72-1,Pilocarpine nitrate,3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one nitrate,CC[C@H]1[C@@H](Cc2cncn2C)COC1=O.O[N+](=O)[O-],CC[C@H]1[C@@H](Cc2cncn2C)COC1=O.O[N+](=O)[O-],"InChI=1/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)",C11H16N2O2.HNO3,,,,,,PRZXEPJJHQYOGF-GNAZCLTHSA-N,,,,,,,,,,,
100.005.205,205-724-2,148-75-4,"3-hydroxynaphthalene-2,7-disulphonic acid","3-hydroxynaphthalene-2,7-disulfonic acid",Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)",C10H8O7S2,,,,,,USWINTIHFQKJTR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.206,205-725-8,148-79-8,Thiabendazole,"2-(1,3-thiazol-4-yl)-1H-benzimidazole",c1ccc2[nH]c(nc2c1)c3cscn3,c1ccc2[nH]c(nc2c1)c3cscn3,"InChI=1/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",C10H7N3S,,,,,,WJCNZQLZVWNLKY-UHFFFAOYSA-N,Positive/Negative,mzcloud:1702,[M+H]+,HCD_Averaged,175.0324:143.06036:131.06038:104.0495:92.04947:95.0491:65.03858,HighChem,mzcloud:1702,[M-H]-,HCD_Averaged,173.01791:172.01008:156.05671:141.04582:81.9757:70.98352:57.97567,HighChem
100.005.689,206-256-1,316-05-2,Mepacrine mesilate,"N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine",CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,"InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",C23H30ClN3O.2CH4O3S,,,,,,GPKJTRJOBQGKQK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.690,206-257-7,316-23-4,"(E)-4,4'-(1,2-diethylethylene)diphenyl bis(hydrogen sulphate)","hex-3-ene-3,4-diyldi-4,1-phenylene bis(hydrogen sulfate)",O=S(O)(=O)Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OS(O)(=O)=O)cc2,O=S(O)(=O)Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OS(O)(=O)=O)cc2,"InChI=1/C18H20O8S2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24)",C18H20O8S2,,,,,,JQFXYBUUBRTZSR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.692,206-259-8,316-42-7,Emetine hydrochloride,"6',7',10,11-tetramethoxyemetan hydrochloride",Cl.CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45,Cl.CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45,"InChI=1/C29H40N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H",C29H40N2O4.2ClH,,,,,,HUEYSSLYFJVUIS-MRFSYGAJSA-N,,,,,,,,,,,
100.005.695,206-262-4,316-81-4,Thioproperazine,"N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine-2-sulfonamide",CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,"InChI=1/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3",C22H30N4O2S2,,,,,,VZYCZNZBPPHOFY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.700,206-268-7,318-98-9,[2-hydroxy-3-(naphthyloxy)propyl]isopropylammonium chloride,2-hydroxy-N-isopropyl-3-(1-naphthyloxy)propan-1-aminium chloride,[Cl-].CC(C)[NH2+]CC(O)COc1cccc2ccccc12,[Cl-].CC(C)[NH2+]CC(O)COc1cccc2ccccc12,"InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H",C16H21NO2.ClH,,,,,,ZMRUPTIKESYGQW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.701,206-269-2,319-78-8,D-isoleucine,D-isoleucine,CCC(C)[C@@H](N)C(=O)O,CCC(C)[C@@H](N)C(=O)O,"InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",C6H13NO2,,,,,,AGPKZVBTJJNPAG-BRJRFNKRSA-N,,,,,,,,,,,
100.005.702,206-270-8,319-84-6,"(1a,2a,3ß,4a,5ß,6ß)-1,2,3,4,5,6-hexachlorocyclohexane","1,2,3,4,5,6-hexachlorocyclohexane",Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl,Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl,InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,C6H6Cl6,,,,,,JLYXXMFPNIAWKQ-LKPKBOIGSA-N,,,,,,,,,,,
100.005.705,206-273-4,319-88-0,"1,3,5-trichloro-2,4,6-trifluorobenzene","1,3,5-trichloro-2,4,6-trifluorobenzene",Fc1c(Cl)c(F)c(Cl)c(F)c1Cl,Fc1c(Cl)c(F)c(Cl)c(F)c1Cl,InChI=1/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11,C6Cl3F3,,,,,,QPXZZPSKCVNHFW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.706,206-275-5,319-89-1,Tetroquinone,"2,3,5,6-tetrahydroxy-1,4-benzoquinone",OC1=C(O)C(=O)C(=C(O)C1=O)O,OC1=C(O)C(=O)C(=C(O)C1=O)O,"InChI=1/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H",C6H4O6,,,,,,DGQOCLATAPFASR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.707,206-276-0,320-50-3,"1,4-dichloro-2-(trifluoromethyl)benzene","1,4-dichloro-2-(trifluoromethyl)benzene",FC(F)(F)c1cc(Cl)ccc1Cl,FC(F)(F)c1cc(Cl)ccc1Cl,"InChI=1/C7H3Cl2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H",C7H3Cl2F3,,,,,,DYBYUWVMLBBEMA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.710,206-279-7,320-65-0,1-(dichloromethyl)-2-fluorobenzene,1-(dichloromethyl)-2-fluorobenzene,Fc1ccccc1C(Cl)Cl,Fc1ccccc1C(Cl)Cl,"InChI=1/C7H5Cl2F/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H",C7H5Cl2F,,,,,,XFAFBKQDEPXWCS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.712,206-281-8,320-72-9,"3,5-dichlorosalicylic acid","3,5-dichloro-2-hydroxybenzoic acid",OC(=O)c1cc(Cl)cc(Cl)c1O,OC(=O)c1cc(Cl)cc(Cl)c1O,"InChI=1/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",C7H4Cl2O3,,,,,,CNJGWCQEGROXEE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.713,206-282-3,320-77-4,"3-carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid","3-carboxy-2,3-dideoxypentaric acid",OC(C(CC(=O)O)C(=O)O)C(=O)O,OC(C(CC(=O)O)C(=O)O)C(=O)O,"InChI=1/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)",C6H8O7,,,,,,ODBLHEXUDAPZAU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.720,206-290-7,321-60-8,2-fluorobiphenyl,2-fluorobiphenyl,Fc1ccccc1c2ccccc2,Fc1ccccc1c2ccccc2,InChI=1/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,C12H9F,,,,,,KLECYOQFQXJYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.725,206-295-4,322-75-8,1-(4-chlorophenoxy)-2-nitro-4-(trifluoromethyl)benzene,1-(4-chlorophenoxy)-2-nitro-4-(trifluoromethyl)benzene,[O-][N+](=O)c1cc(ccc1Oc2ccc(Cl)cc2)C(F)(F)F,[O-][N+](=O)c1cc(ccc1Oc2ccc(Cl)cc2)C(F)(F)F,"InChI=1/C13H7ClF3NO3/c14-9-2-4-10(5-3-9)21-12-6-1-8(13(15,16)17)7-11(12)18(19)20/h1-7H",C13H7ClF3NO3,,,,,,GZFYZMCWQKTEEW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.726,206-297-5,322-79-2,"3-acetoxy-a,a,a-trifluoro-p-toluic acid",3-acetoxy-4-(trifluoromethyl)benzoic acid,CC(=O)Oc1cc(ccc1C(F)(F)F)C(=O)O,CC(=O)Oc1cc(ccc1C(F)(F)F)C(=O)O,"InChI=1/C10H7F3O4/c1-5(14)17-8-4-6(9(15)16)2-3-7(8)10(11,12)13/h2-4H,1H3,(H,15,16)",C10H7F3O4,,,,,,XOUWAACWSDIRBF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.728,206-299-6,323-09-1,2-fluoronaphthalene,2-fluoronaphthalene,Fc1ccc2ccccc2c1,Fc1ccc2ccccc2c1,InChI=1/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,C10H7F,,,,,,BAGQBTMEEISJLK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.472,211-517-8,657-24-9,Metformin,"N,N-dimethylimidodicarbonimidic diamide",CN(C)C(=N)NC(=N)N,CN(C)C(=N)NC(=N)N,"InChI=1/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)",C4H11N5,,,,,,XZWYZXLIPXDOLR-UHFFFAOYSA-N,Positive,AU112701|AU112702|AU112703;SM867803;EA255001|EA255002|EA255003|EA255004|EA255005|EA255006|EA255007|EA255008|EA255009|EA255010|EA255011|EA255012|EA255013|EA255014;TUE00511|TUE00512|TUE00513;UF412401|UF412402|UF412403|UF412404,[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID15.5-23.2|CID20|CID10;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55,71.0606:60.0556:130.1092|130.1082:113.083|130.1079:113.0818;60.0558:130.1087:71.0604;130.1088:60.0556:85.0509|130.1089:60.0557:85.0511|130.1088:60.0557:85.0509|130.1088:60.0557:71.0604|60.0557:71.0604:130.1088|71.0604:60.0556:85.0509|71.0604:60.0556:85.0509|130.1088:60.0556:85.0508|130.1088:60.0557:85.0509|130.1088:60.0557:71.0604|60.0556:130.1088:71.0604|71.0604:60.0557:85.0509|71.0604:60.0557:85.0509|130.1088:60.0557:85.051;60.0557:130.1087:71.0605|71.0604:60.0558:46.0648|71.0605:43.0287:68.0243;130.1092:71.0606:88.0873|71.0606:88.0873:85.0512|60.0557:85.0513:113.0826|60.0557:85.0512:113.0826,Athens_Univ;CASMI_2016;Eawag;Env_Anal_Chem_U_Tuebingen;UFZ,,,,,
100.010.473,211-518-3,657-26-1,L-lysine dihydrochloride,L-lysine dihydrochloride,Cl.Cl.NCCCC[C@H](N)C(=O)O,Cl.Cl.NCCCC[C@H](N)C(=O)O,"InChI=1/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H",C6H14N2O2.2ClH,,,,,,JBBURJFZIMRPCZ-XRIGFGBMSA-N,,,,,,,,,,,
100.010.476,211-522-5,657-84-1,Sodium toluene-4-sulphonate,sodium 4-methylbenzenesulfonate,[Na+].Cc1ccc(cc1)S(=O)(=O)[O-],[Na+].Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",C7H8O3S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15793,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.476,KVCGISUBCHHTDD-UHFFFAOYSA-M,,,,,,,,,,,
100.010.477,211-523-0,658-48-0,DL-a-methyltyrosine,alpha-methyl-D-tyrosine,C[C@@](N)(Cc1ccc(O)cc1)C(=O)O,C[C@@](N)(Cc1ccc(O)cc1)C(=O)O,"InChI=1/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)",C10H13NO3,,,,,,NHTGHBARYWONDQ-SNVBAGLBSA-N,,,,,,,,,,,
100.010.479,211-525-1,658-79-7,N-glycyl-L-tyrosine,glycyl-L-tyrosine,NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)",C11H14N2O4,,,,,,XBGGUPMXALFZOT-VIFPVBQESA-N,,,,,,,,,,,
100.011.217,212-338-8,791-28-6,Triphenylphosphine oxide,triphenylphosphine oxide,O=P(c1ccccc1)(c2ccccc2)c3ccccc3,O=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15OP,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17507,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.217,FIQMHBFVRAXMOP-UHFFFAOYSA-N,Positive,SM881301;EQ358701|EQ358702|EQ358703|EQ358704|EQ358705|EQ358706|EQ358707|EQ358708|EQ358709,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,279.0933:219.0569:201.0463;279.0934:57.0699:71.0855|279.0934:57.0699:71.0855|57.0699:219.057:279.0934|121.0284:219.057:57.0699|121.0284:65.0386:121.0396|65.0386:121.0284:121.0396|65.0386:121.0396:121.0284|65.0386:53.0022:51.023|65.0386:53.0022:51.023,CASMI_2016;Eawag,,,,,
100.011.219,212-340-9,791-35-5,Clofedano,1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol,CN(C)CCC(O)(c1ccccc1)c2ccccc2Cl,CN(C)CCC(O)(c1ccccc1)c2ccccc2Cl,"InChI=1/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3",C17H20ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17963,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.219,WRCHFMBCVFFYEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.220,212-341-4,792-74-5,"Dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate","dimethyl biphenyl-4,4'-dicarboxylate",COC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)OC,COC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)OC,"InChI=1/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3",C16H14O4,,,,,,BKRIRZXWWALTPU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.226,212-348-2,796-77-0,4-[2-(diethylamino)ethoxy]benzophenone,{4-[2-(diethylamino)ethoxy]phenyl}(phenyl)methanone,CCN(CC)CCOc1ccc(cc1)C(=O)c2ccccc2,CCN(CC)CCOc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C19H23NO2/c1-3-20(4-2)14-15-22-18-12-10-17(11-13-18)19(21)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3",C19H23NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18170,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.226,GSTOOYJSPRJGDO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.227,212-349-8,797-63-7,Levonorgestrel,"13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3",C21H28O2,,,,,,WWYNJERNGUHSAO-XUDSTZEESA-N,,,,,,,,,,,
100.011.229,212-351-9,801-37-6,"3-oxopregn-4-ene-21,17-carbolactone","10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione",CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC45CCC(=O)O5,CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC45CCC(=O)O5,"InChI=1/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3",C22H30O3,,,,,,UWBICEKKOYXZRG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.230,212-352-4,802-51-7,"2,5-di(2-naphthyl)-1,3,4-oxadiazole","2,5-di-2-naphthyl-1,3,4-oxadiazole",o1c(nnc1c2ccc3ccccc3c2)c4ccc5ccccc5c4,o1c(nnc1c2ccc3ccccc3c2)c4ccc5ccccc5c4,InChI=1/C22H14N2O/c1-3-7-17-13-19(11-9-15(17)5-1)21-23-24-22(25-21)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,C22H14N2O,,,,,,NQDGITXYARLRTF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.231,212-354-5,802-93-7,"a,a,a',a'-tetrakis(trifluoromethyl)-m-xylene-a,a'-diol","2,2'-(1,3-phenylene)bis(1,1,1,3,3,3-hexafluoropropan-2-ol)",OC(c1cccc(c1)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,OC(c1cccc(c1)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,"InChI=1/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H",C12H6F12O2,,,,,,PGUIOHNOYADLMU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.234,212-357-1,804-30-8,Fursultiamine,N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-{4-hydroxy-1-methyl-2-[(tetrahydrofuran-2-ylmethyl)disulfanyl]but-1-en-1-yl}formamide,Cc2ncc(CN(C=O)C(C)=C(SSCC1CCCO1)CCO)c(N)n2,Cc2ncc(CN(C=O)C(C)=C(SSCC1CCCO1)CCO)c(N)n2,"InChI=1/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)",C17H26N4O3S2,,,,,,JTLXCMOFVBXEKD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.768,206-343-4,329-20-4,p-acetamidobenzenesulphonyl fluoride,4-acetamidobenzenesulfonyl fluoride,CC(=O)Nc1ccc(cc1)S(=O)(=O)F,CC(=O)Nc1ccc(cc1)S(=O)(=O)F,"InChI=1/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)",C8H8FNO3S,,,,,,HRQHLUBMODFETM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.788,206-365-4,332-50-3,2-(4-fluorophenoxy)acetamide,2-(4-fluorophenoxy)acetamide,NC(=O)COc1ccc(F)cc1,NC(=O)COc1ccc(F)cc1,"InChI=1/C8H8FNO2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)",C8H8FNO2,,,,,,PNGGWQMSHKIEAF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.789,206-367-5,332-77-4,"2,5-dihydro-2,5-dimethoxyfuran","2,5-dimethoxy-2,5-dihydrofuran",COC1OC(OC)C=C1,COC1OC(OC)C=C1,"InChI=1/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3",C6H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11223,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.789,WXFWXFIWDGJRSC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.792,206-370-1,333-20-0,Potassium thiocyanate,potassium thiocyanate,[K+].[S-]C#N,[K+].[S-]C#N,InChI=1/CHNS.K/c2-1-3;/h3H;/q;+1/p-1,CHNS.K,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5157,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.792,ZNNZYHKDIALBAK-UHFFFAOYSA-M,,,,,,,,,,,
100.005.796,206-374-3,333-49-3,4-aminopyrimidine-2-thiol,4-aminopyrimidine-2-thiol,Nc1ccnc(S)n1,Nc1ccnc(S)n1,"InChI=1/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)",C4H5N3S,,,,,,DCPSTSVLRXOYGS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.801,206-380-6,334-56-5,1-fluorodecane,1-fluorodecane,CCCCCCCCCCF,CCCCCCCCCCF,"InChI=1/C10H21F/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",C10H21F,,,,,,LHLRHWJTTUCDQA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.803,206-382-7,334-88-3,Diazomethane,diazomethane,C=[N+]=[N-],C=[N+]=[N-],InChI=1/CH2N2/c1-3-2/h1H2,CH2N2,,,,,,YXHKONLOYHBTNS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.806,206-385-3,335-24-0,"Potassium 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(pentafluoroethyl)cyclohexanesulphonate","potassium 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(pentafluoroethyl)cyclohexanesulfonate",[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F,[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F,"InChI=1/C8HF15O3S.K/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13;/h(H,24,25,26);/q;+1/p-1",C8HF15O3S.K,,,,,,LRIBRUAEJSZTFO-UHFFFAOYSA-M,,,,,,,,,,,
100.005.810,206-390-0,335-42-2,Perfluorobutyryl fluoride,heptafluorobutanoyl fluoride,FC(=O)C(F)(F)C(F)(F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4F8O/c5-1(13)2(6,7)3(8,9)4(10,11)12",C4F8O,,,,,,YYXWJNBPHDUWJP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.814,206-394-2,335-64-8,Pentadecafluorooctyl chloride,"1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane",FCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,FCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,"InChI=1/C8H2ClF15/c9-8(23,24)7(21,22)6(19,20)5(17,18)4(15,16)3(13,14)2(11,12)1-10/h1H2",C8ClF15O,,,,,,RPCAYPDVYFWAQH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.816,206-396-3,335-66-0,Pentadecafluorooctyl fluoride,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane",FCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H2F16/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2",C8F16O,,,,,,MZEWTRVTJJVHCA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.817,206-397-9,335-67-1,Pentadecafluorooctanoic acid,pentadecafluorooctanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)",C8HF15O2,,,,,,SNGREZUHAYWORS-UHFFFAOYSA-N,Negative,,,,,,SM877354;EA271751|EA271752|EA271753|EA271754|EA271757|EA271758|EA271759|EA271760,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD90|HCD15|HCD30|HCD45,368.9761:168.9893;368.9771:168.9893:218.9863|368.9756:168.9891:218.9854|168.9893|168.9896|412.9758:368.9777|368.9768:168.9891:218.9856|168.9891:218.986|168.989:412.9771,CASMI_2016;Eawag
100.005.818,206-398-4,335-71-7,Pentadecafluoroheptane-1-sulphonyl fluoride,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonyl fluoride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1/C7F16O2S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25",C7F16O2S,,,,,,FBIOXUYLJVKPPG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.819,206-400-3,335-76-2,Nonadecafluorodecanoic acid,nonadecafluorodecanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)",C10HF19O2,,,,,,PCIUEQPBYFRTEM-UHFFFAOYSA-N,Negative,,,,,,SM876951;EA272051|EA272052|EA272053|EA272058,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD15,468.9701:218.9862:268.9831;468.9703:218.986:268.9826|218.9862|468.9691|268.9823:218.9858,CASMI_2016;Eawag
100.005.825,206-407-1,336-08-3,Octafluoroadipic acid,octafluorohexanedioic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O,"InChI=1/C6H2F8O4/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18/h(H,15,16)(H,17,18)",C6H2F8O4,,,,,,AXRSOGFYDSXLQX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.827,206-409-2,336-50-5,"1,1,2,2-tetrachloro-3,3,4,4-tetrafluorocyclobutane","1,1,2,2-tetrachloro-3,3,4,4-tetrafluorocyclobutane",FC1(F)C(F)(F)C(Cl)(Cl)C1(Cl)Cl,FC1(F)C(F)(F)C(Cl)(Cl)C1(Cl)Cl,"InChI=1/C4Cl4F4/c5-1(6)2(7,8)4(11,12)3(1,9)10",C4Cl4F4,,,,,,ZWDCJLJWIQMWBE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.829,206-411-3,337-02-0,"9-fluoro-11ß,16a,17,21-tetrahydroxypregn-4-ene-3,20-dione","9-fluoro-11,16,17,21-tetrahydroxypregn-4-ene-3,20-dione",C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,"InChI=1/C21H29FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h7,13-16,23,25-26,28H,3-6,8-10H2,1-2H3",C21H29FO6,,,,,,SXQQMCLQCSKJNC-OBYCQNJPSA-N,,,,,,,,,,,
100.005.211,205-731-0,149-11-1,Copper bis(2-ethylhexanoate),copper(2+) bis(2-ethylhexanoate),[Cu+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O,[Cu+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O,"InChI=1/2C8H16O2.Cu/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Cu,,,,,,SEKCXMNFUDONGJ-UHFFFAOYSA-L,,,,,,,,,,,
100.005.214,205-734-7,149-16-6,Butacaine,3-(dibutylamino)propyl 4-aminobenzoate,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,"InChI=1/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3",C18H30N2O2,,,,,,HQFWVSGBVLEQGA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.217,205-737-3,149-32-6,Erythritol,"butane-1,2,3,4-tetrol",OC[C@@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O)CO,"InChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2",C4H10O4,,,,,,UNXHWFMMPAWVPI-ZXZARUISSA-N,,,,,,,,,,,
100.005.218,205-738-9,149-39-3,Sodium 2-[methyl(1-oxooctadecyl)amino]ethanesulphonate,sodium 2-[methyl(stearoyl)amino]ethanesulfonate,[Na+].CCCCCCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],"InChI=1/C21H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h3-20H2,1-2H3,(H,24,25,26);/q;+1/p-1",C21H43NO4S.Na,,,,,,UKSFMDODPANKJI-UHFFFAOYSA-M,,,,,,,,,,,
100.005.220,205-741-5,149-45-1,"Disodium 4,5-dihydroxybenzene-1,3-disulphonate","disodium 4,5-dihydroxybenzene-1,3-disulfonate",[Na+].[Na+].Oc1cc(cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",C6H6O8S2.2Na,,,,,,ISWQCIVKKSOKNN-UHFFFAOYSA-L,,,,,,,,,,,
100.005.229,205-750-4,149-95-1,(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol",NC[C@@H](O)c1ccc(O)c(O)c1,NC[C@@H](O)c1ccc(O)c(O)c1,"InChI=1/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2",C8H11NO3,,,,,,SFLSHLFXELFNJZ-MRVPVSSYSA-N,,,,,,,,,,,
100.005.230,205-752-5,150-05-0,(S)-4-[1-hydroxy-2-(methylamino)ethyl]pyrocatechol,"4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol",CNC[C@@H](O)c1ccc(O)c(O)c1,CNC[C@@H](O)c1ccc(O)c(O)c1,"InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3",C9H13NO3,,,,,,UCTWMZQNUQWSLP-SECBINFHSA-N,,,,,,,,,,,
100.005.237,205-759-3,150-39-0,N-(2-hydroxyethyl)ethylenediaminetriacetic acid,N-{2-[bis(carboxymethyl)amino]ethyl}-N-(2-hydroxyethyl)glycine,OCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,OCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)",C10H18N2O7,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17526,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.237,URDCARMUOSMFFI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.241,205-764-0,150-60-7,Dibenzyl disulphide,"1,1'-[disulfanediylbis(methylene)]dibenzene",C(SSCc1ccccc1)c2ccccc2,C(SSCc1ccccc1)c2ccccc2,"InChI=1/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14S2,,,,,,GVPWHKZIJBODOX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.242,205-765-6,150-61-8,"N,N'-ethylenedianiline","N,N'-diphenylethane-1,2-diamine",C(CNc1ccccc1)Nc2ccccc2,C(CNc1ccccc1)Nc2ccccc2,"InChI=1/C14H16N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",C14H16N2,,,,,,NOUUUQMKVOUUNR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.244,205-767-7,150-69-6,4-ethoxyphenylurea,1-(4-ethoxyphenyl)urea,CCOc1ccc(NC(=O)N)cc1,CCOc1ccc(NC(=O)N)cc1,"InChI=1/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)",C9H12N2O2,,,,,,GGLIEWRLXDLBBF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.251,205-775-0,150-84-5,Citronellyl acetate,"3,7-dimethyloct-6-en-1-yl acetate",CC(CCOC(=O)C)CCC=C(C)C,CC(CCOC(=O)C)CCC=C(C)C,"InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",C12H22O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5472,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.251,JOZKFWLRHCDGJA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.254,205-778-7,150-90-3,Disodium succinate,disodium succinate,[Na+].[Na+].[O-]C(=O)CCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H6O4.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17733,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.254,ZDQYSKICYIVCPN-UHFFFAOYSA-L,,,,,,,,,,,
100.005.265,205-790-2,151-38-2,2-methoxyethylmercury acetate,(2-methoxyethyl)mercury(1+) acetate,COCC[Hg+].CC(=O)[O-],COCC[Hg+].CC(=O)[O-],"InChI=1/C3H7O.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3H2,2H3;1H3,(H,3,4);/q;;+1/p-1/rC3H7HgO.C2H4O2/c1-5-3-2-4;1-2(3)4/h2-3H2,1H3;1H3,(H,3,4)/q+1;/p-1",C5H10HgO3,,,,,,AGJBKFAPBKOEGA-UHFFFAOYSA-M,,,,,,,,,,,
100.005.268,205-793-9,151-56-4,Aziridine,aziridine,C1CN1,C1CN1,"InChI=1/C2H5N/c1-2-3-1/h3H,1-2H2",C2H5N,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7800,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.268,NOWKCMXCCJGMRR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.270,205-796-5,151-67-7,Halothane,"2-bromo-2-chloro-1,1,1-trifluoroethane",FC(F)(F)C(Cl)Br,FC(F)(F)C(Cl)Br,"InChI=1/C2HBrClF3/c3-1(4)2(5,6)7/h1H",C2HBrClF3,,,,,,BCQZXOMGPXTTIC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.734,206-306-2,324-93-6,"4'-fluoro[1,1'-biphenyl]-4-amine",4'-fluorobiphenyl-4-amine,Nc1ccc(cc1)c2ccc(F)cc2,Nc1ccc(cc1)c2ccc(F)cc2,"InChI=1/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2",C12H10FN,,,,,,HTRVALPKPVGOSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.737,206-309-9,326-56-7,"Methyl 1,3-benzodioxole-5-carboxylate","methyl 1,3-benzodioxole-5-carboxylate",COC(=O)c1ccc2OCOc2c1,COC(=O)c1ccc2OCOc2c1,"InChI=1/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3",C9H8O4,,,,,,QCHGUEIECOASJU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.739,206-312-5,326-61-4,Piperonyl acetate,"1,3-benzodioxol-5-ylmethyl acetate",CC(=O)OCc1ccc2OCOc2c1,CC(=O)OCc1ccc2OCOc2c1,"InChI=1/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3",C10H10O4,,,,,,PFWYHTORQZAGCA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.742,206-315-1,326-90-9,"4,4,4-trifluoro-1-(2-furyl)butane-1,3-dione","4,4,4-trifluoro-1-(2-furyl)butane-1,3-dione",FC(F)(F)C(=O)CC(=O)c1occc1,FC(F)(F)C(=O)CC(=O)c1occc1,"InChI=1/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2",C8H5F3O3,,,,,,OWLPCALGCHDBCN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.743,206-316-7,326-91-0,"4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione","4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione",FC(F)(F)C(=O)CC(=O)c1cccs1,FC(F)(F)C(=O)CC(=O)c1cccs1,"InChI=1/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2",C8H5F3O2S,,,,,,TXBBUSUXYMIVOS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.748,206-321-4,327-57-1,Norleucine,norleucine,CCCCC(N)C(=O)O,CCCCC(N)C(=O)O,"InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",C6H13NO2,,,,,,LRQKBLKVPFOOQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.749,206-323-5,327-62-8,Potassium propionate,potassium propionate,[K+].CCC(=O)[O-],[K+].CCC(=O)[O-],"InChI=1/C3H6O2.K/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1",C3H6O2.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17968,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.749,BWILYWWHXDGKQA-UHFFFAOYSA-M,,,,,,,,,,,
100.005.750,206-324-0,327-92-4,"1,5-difluoro-2,4-dinitrobenzene","1,5-difluoro-2,4-dinitrobenzene",[O-][N+](=O)c1cc(c(F)cc1F)[N+](=O)[O-],[O-][N+](=O)c1cc(c(F)cc1F)[N+](=O)[O-],InChI=1/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,C6H2F2N2O4,,,,,,VILFTWLXLYIEMV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.752,206-326-1,327-98-0,Trichloronat,"O-ethyl O-(2,4,5-trichlorophenyl) ethylphosphonothioate",CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl,CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3",C10H12Cl3O2PS,,,,,,ANIAQSUBRGXWLS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.753,206-327-7,328-38-1,D-leucine,D-leucine,CC(C)C[C@@H](N)C(=O)O,CC(C)C[C@@H](N)C(=O)O,"InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",C6H13NO2,,,,,,ROHFNLRQFUQHCH-RXMQYKEDSA-N,,,,,,,,,,,
100.005.757,206-331-9,328-51-8,2-oxooctanoic acid,2-oxooctanoic acid,CCCCCCC(=O)C(=O)O,CCCCCCC(=O)C(=O)O,"InChI=1/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)",C8H14O3,,,,,,GPPUPQFYDYLTIY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.759,206-334-5,328-70-1,"1-bromo-3,5-bis(trifluoromethyl)benzene","1-bromo-3,5-bis(trifluoromethyl)benzene",FC(F)(F)c1cc(Br)cc(c1)C(F)(F)F,FC(F)(F)c1cc(Br)cc(c1)C(F)(F)F,"InChI=1/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H",C8H3BrF6,,,,,,CSVCVIHEBDJTCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.762,206-337-1,328-84-7,"3,4-dichloro-a,a,a-trifluorotoluene","1,2-dichloro-4-(trifluoromethyl)benzene",FC(F)(F)c1ccc(Cl)c(Cl)c1,FC(F)(F)c1ccc(Cl)c(Cl)c1,"InChI=1/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H",C7H3Cl2F3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8256,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.762,XILPLWOGHPSJBK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.764,206-339-2,328-89-2,2-bromo-4-(trifluoromethyl)benzoic acid,2-bromo-4-(trifluoromethyl)benzoic acid,OC(=O)c1ccc(cc1Br)C(F)(F)F,OC(=O)c1ccc(cc1Br)C(F)(F)F,"InChI=1/C8H4BrF3O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)",C8H4BrF3O2,,,,,,SINIIFNWZPCJGU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.773,206-349-7,329-89-5,6-aminonicotinamide,"6-imino-1,6-dihydropyridine-3-carboximidic acid",OC(=N)C1=C\\NC(=N)\\C=C1,OC(=N)C1=C\NC(=N)\C=C1,"InChI=1/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)",C6H7N3O,,,,,,ZLWYEPMDOUQDBW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.778,206-354-4,330-54-1,Diuron,"3-(3,4-dichlorophenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,"InChI=1/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",C9H10Cl2N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13520,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.778,XMTQQYYKAHVGBJ-UHFFFAOYSA-N,Positive/Negative,AU341002|AU341003|AU341004|AU341005;SM877701;EA029201|EA029202|EA029203|EA029204|EA029205|EA029206|EA029207|EA029208|EA029209|EA029210|EA029211|EA029212|EA029213|EA029214,[M+H]+;[M+H]+;[M+H]+,CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,233.0237:235.021:187.9652|159.9703:161.9672:187.9652|159.9703:161.9672:132.9598|132.9595:125.0014:134.9565;72.0445:233.0244:159.9716;72.0444|233.0245:72.0443|233.0245:72.0444:187.9659|72.0444:233.0238:159.9714|72.0444:159.9715:187.9665|72.0444:159.9714:132.9608|72.0444:159.9714:132.9606|233.0244:72.0443|233.0244:72.0444:187.9664|72.0444:233.0241:187.9665|72.0444:159.9715:187.9664|72.0444:159.9715:132.9606|72.0444:159.9715:132.9606|72.0444:187.9661,Athens_Univ;CASMI_2016;Eawag,AU341051|AU341052|AU341053|AU341054;SM877753;EA029251|EA029252|EA029253|EA029254|EA029255|EA029256|EA029257|EA029258|EA029259|EA029260|EA029261|EA029262|EA029263|EA029264;UF400451|UF400452|UF400453|UF400454,[M-H]-;[M-H]-;[M-H]-;[M-H]-,CID10|CID20|CID30|CID40;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,231.0102:233.0077:232.0129|231.0107:185.9524:187.9495|149.9747:185.9521:187.9492|149.9764;231.0098:185.952:159.9727;185.9521:159.9726:231.0097|231.0098:185.9515|231.0097:185.9518:159.9728|185.952:231.0098:149.9751|185.9519:149.9751:231.01|149.9751:185.9517|149.9757|231.0095:185.9511|231.0095:185.9517:159.9725|185.9518:231.0094:149.9751|185.9517:149.9752:231.0094|149.975:185.9514|149.9755|185.952:159.9725:149.9749;231.0099|231.0099:197.9499|185.9518:197.9498|185.9518,Athens_Univ;CASMI_2016;Eawag;UFZ
100.005.779,206-356-5,330-55-2,Linuron,"3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea",CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,"InChI=1/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",C9H10Cl2N2O2,,,,,,XKJMBINCVNINCA-UHFFFAOYSA-N,Positive,SM841202;EA016001|EA016002|EA016003|EA016004|EA016005|EA016006|EA016007|EA016008|EA016009|EA016010|EA016011|EA016012|EA016013|EA016014;UF403101|UF403102|UF403103|UF403104,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,159.9716:182.0241:249.0193;182.0243:159.9716:187.9664|249.0193:182.0243:159.9715|159.9715:182.0241:249.0189|159.9716:182.0242:160.9793|159.9716:160.9793:182.0241|132.9606:159.9716:160.9794|132.9606:160.9793:125.0026|249.0193:182.0241:159.9715|159.9716:182.0242:249.0191|159.9716:182.0242:160.9793|159.9715:160.9793:182.0241|132.9606:159.9714:160.9793|132.9606:160.9793:125.0026|182.0241:159.9715:187.9663;159.9715:182.0242:160.9794|132.9606:160.9794:125.0027|182.0241:159.9715:187.9664|182.024:159.9715:187.9665,CASMI_2016;Eawag;UFZ,,,,,
100.011.239,212-362-9,807-38-5,"6-a,9-a-difluoro-11-ß,16-a,17-a,21-tetrahydroxypregna-1,4-diene-3,20-dione","6,9-difluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione",C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,"InChI=1/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3",C21H26F2O6,,,,,,UUOUOERPONYGOS-CLCRDYEYSA-N,,,,,,,,,,,
100.011.246,212-370-2,811-49-4,Ethyllithium,ethyllithium,[Li]CC,[Li]CC,"InChI=1/C2H5.Li/c1-2;/h1H2,2H3;/rC2H5Li/c1-2-3/h2H2,1H3",C2H5Li,,,,,,BLHLJVCOVBYQQS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.254,212-379-1,812-00-0,Methyl dihydrogen phosphate,methyl dihydrogen phosphate,COP(=O)(O)O,COP(=O)(O)O,"InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)",CH5O4P,,,,,,CAAULPUQFIIOTL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.061,213-267-5,933-18-6,"2,4,6-trichloroborazine","2,4,6-trichloroborazine",ClB1NB(Cl)NB(Cl)N1,ClB1NB(Cl)NB(Cl)N1,InChI=1/B3Cl3H3N3/c4-1-7-2(5)9-3(6)8-1/h7-9H,B3Cl3H3N3,,,,,,IJXPQKHXJCOFGH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.063,213-269-6,933-52-8,"Tetramethylcyclobutane-1,3-dione","2,2,4,4-tetramethylcyclobutane-1,3-dione",CC1(C)C(=O)C(C)(C)C1=O,CC1(C)C(=O)C(C)(C)C1=O,"InChI=1/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3",C8H12O2,,,,,,RGCDVHNITQEYPO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.065,213-271-7,933-75-5,"2,3,6-trichlorophenol","2,3,6-trichlorophenol",Oc1c(Cl)ccc(Cl)c1Cl,Oc1c(Cl)ccc(Cl)c1Cl,"InChI=1/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H",C6H3Cl3O,,,,,,XGCHAIDDPMFRLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.067,213-273-8,933-88-0,o-toluoyl chloride,2-methylbenzoyl chloride,Cc1ccccc1C(=O)Cl,Cc1ccccc1C(=O)Cl,"InChI=1/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",C8H7ClO,,,,,,GPZXFICWCMCQPF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.068,213-274-3,933-90-4,3-hydroxypyridine-2-carboxamide,3-hydroxypyridine-2-carboxamide,NC(=O)c1ncccc1O,NC(=O)c1ncccc1O,"InChI=1/C6H6N2O2/c7-6(10)5-4(9)2-1-3-8-5/h1-3,9H,(H2,7,10)",C6H6N2O2,,,,,,VIHUZJYFQOEUMI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.071,213-278-5,934-06-5,5-oxo-L-prolinohydrazide,5-oxopyrrolidine-2-carbohydrazide (non-preferred name),NNC(=O)C1CCC(=O)N1,NNC(=O)C1CCC(=O)N1,"InChI=1/C5H9N3O2/c6-8-5(10)3-1-2-4(9)7-3/h3H,1-2,6H2,(H,7,9)(H,8,10)",C5H9N3O2,,,,,,UVODKQNEOJXKPD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.072,213-279-0,934-22-5,Benzimidazol-5-ylamine,1H-benzimidazol-6-amine,Nc1ccc2nc[nH]c2c1,Nc1ccc2nc[nH]c2c1,"InChI=1/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)",C7H7N3,,,,,,WFRXSXUDWCVSPI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.076,213-283-2,934-48-5,"3,5-dimethyl-1H-pyrazole-1-carboxamide","3,5-dimethyl-1H-pyrazole-1-carboxamide",Cc1cc(C)n(n1)C(=O)N,Cc1cc(C)n(n1)C(=O)N,"InChI=1/C6H9N3O/c1-4-3-5(2)9(8-4)6(7)10/h3H,1-2H3,(H2,7,10)",C6H9N3O,,,,,,AKRDSDDYNMVKCX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.082,213-290-0,934-74-7,5-ethyl-m-xylene,"1-ethyl-3,5-dimethylbenzene",CCc1cc(C)cc(C)c1,CCc1cc(C)cc(C)c1,"InChI=1/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3",C10H14,,,,,,LMAUULKNZLEMGN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.084,213-292-1,934-78-1,6-methylpyridine-2-ethanol,2-(6-methylpyridin-2-yl)ethanol,Cc1cccc(CCO)n1,Cc1cccc(CCO)n1,"InChI=1/C8H11NO/c1-7-3-2-4-8(9-7)5-6-10/h2-4,10H,5-6H2,1H3",C8H11NO,,,,,,QJHOHDKABVJMEC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.086,213-294-2,934-87-2,S-phenyl thioacetate,S-phenyl ethanethioate,CC(=O)Sc1ccccc1,CC(=O)Sc1ccccc1,"InChI=1/C8H8OS/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3",C8H8OS,,,,,,WBISVCLTLBMTDS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.087,213-295-8,934-90-7,a-methylpiperidine-1-ethanol,1-piperidin-1-ylpropan-2-ol,CC(O)CN1CCCCC1,CC(O)CN1CCCCC1,"InChI=1/C8H17NO/c1-8(10)7-9-5-3-2-4-6-9/h8,10H,2-7H2,1H3",C8H17NO,,,,,,UCASFSAKVJTSET-UHFFFAOYSA-N,,,,,,,,,,,
100.012.088,213-296-3,934-98-5,4-methylpiperazine-1-ethylamine,2-(4-methylpiperazin-1-yl)ethanamine,CN1CCN(CCN)CC1,CN1CCN(CCN)CC1,"InChI=1/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3",C7H17N3,,,,,,GOWUDHPKGOIDIX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.092,213-301-9,935-31-9,(Z)-cyclodecene,cyclodecene,C1CCCC\\C=C/CCC1,C1CCCC\C=C/CCC1,"InChI=1/C10H18/c1-2-4-6-8-10-9-7-5-3-1/h1-2H,3-10H2",C10H18,,,,,,UCIYGNATMHQYCT-UPHRSURJSA-N,,,,,,,,,,,
100.012.098,213-308-7,935-79-5,"cis-1,2,3,6-tetrahydrophthalic anhydride","3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",O=C1OC(=O)[C@H]2C/C=C\\C[C@@H]12,O=C1OC(=O)[C@H]2C/C=C\C[C@@H]12,"InChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2",C8H8O3,,,,,,KMOUUZVZFBCRAM-OLQVQODUSA-N,,,,,,,,,,,
100.012.099,213-309-2,935-92-2,"2,3,6-trimethyl-p-benzoquinone","2,3,5-trimethyl-1,4-benzoquinone",CC1=CC(=O)C(=C(C)C1=O)C,CC1=CC(=O)C(=C(C)C1=O)C,"InChI=1/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3",C9H10O2,,,,,,QIXDHVDGPXBRRD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.100,213-310-8,935-95-5,"2,3,5,6-tetrachlorophenol","2,3,5,6-tetrachlorophenol",Oc1c(Cl)c(Cl)cc(Cl)c1Cl,Oc1c(Cl)c(Cl)cc(Cl)c1Cl,"InChI=1/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H",C6H2Cl4O,,,,,,KEWNKZNZRIAIAK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.831,206-413-4,337-28-0,"1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol","1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol",CCOC(O)C(F)(F)C(F)(F)F,CCOC(O)C(F)(F)C(F)(F)F,"InChI=1/C5H7F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h3,11H,2H2,1H3",C5H7F5O2,,,,,,CPCMQYHVJRQUGX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.834,206-417-6,338-45-4,Methyl 3-[(dimethoxyphosphinyl)oxy]isocrotonate,methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate,COC(=O)\\C=C(/C)\\OP(=O)(OC)OC,COC(=O)\C=C(/C)\OP(=O)(OC)OC,"InChI=1/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3",C7H13O6P,,,,,,GEPDYQSQVLXLEU-AATRIKPKSA-N,,,,,,,,,,,
100.005.837,206-420-2,338-83-0,Perfluamine,"1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)propan-1-amine",FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24",C9F21N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11488,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.837,JAJLKEVKNDUJBG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.841,206-424-4,339-43-5,Carbutamide,4-amino-N-(butylcarbamoyl)benzenesulfonamide,CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1,CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1,"InChI=1/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)",C11H17N3O3S,,,,,,VDTNNGKXZGSZIP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.842,206-426-5,339-44-6,N-[5-(2-methoxyethoxy)-2-pyrimidinyl]benzenesulphonamide,N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide,COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1,COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1,"InChI=1/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)",C13H15N3O4S,,,,,,QFWPJPIVLCBXFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.844,206-428-6,339-93-5,[2-(trifluoromethyl)phenyl]glycolic acid,hydroxy[2-(trifluoromethyl)phenyl]acetic acid,OC(C(=O)O)c1ccccc1C(F)(F)F,OC(C(=O)O)c1ccccc1C(F)(F)F,"InChI=1/C9H7F3O3/c10-9(11,12)6-4-2-1-3-5(6)7(13)8(14)15/h1-4,7,13H,(H,14,15)",C9H7F3O3,,,,,,QNVLFHMMPUBIIN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.850,206-434-9,341-41-3,1-bromo-4-fluoronaphthalene,1-bromo-4-fluoronaphthalene,Fc1ccc(Br)c2ccccc12,Fc1ccc(Br)c2ccccc12,InChI=1/C10H6BrF/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,C10H6BrF,,,,,,VAUJZKBFENPOCH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.851,206-435-4,341-69-5,Orphenadrine hydrochloride,"N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine hydrochloride",Cl.CN(C)CCOC(c1ccccc1)c2ccccc2C,Cl.CN(C)CCOC(c1ccccc1)c2ccccc2C,"InChI=1/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H",C18H23NO.ClH,,,,,,UQZKYYIKWZOKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.852,206-437-5,341-70-8,Diethazine hydrochloride,"N,N-diethyl-2-(10H-phenothiazin-10-yl)ethanamine hydrochloride",Cl.CCN(CC)CCN1c2ccccc2Sc3ccccc13,Cl.CCN(CC)CCN1c2ccccc2Sc3ccccc13,"InChI=1/C18H22N2S.ClH/c1-3-19(4-2)13-14-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20;/h5-12H,3-4,13-14H2,1-2H3;1H",C18H22N2S.ClH,,,,,,LQZPJQKYAOYUJS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.856,206-441-7,342-25-6,"2,4'-difluorobenzophenone",(2-fluorophenyl)(4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)c2ccccc2F,Fc1ccc(cc1)C(=O)c2ccccc2F,InChI=1/C13H8F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,C13H8F2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11538,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.856,LKFIWRPOVFNPKR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.863,206-449-0,344-04-7,Bromopentafluorobenzene,"1-bromo-2,3,4,5,6-pentafluorobenzene",Fc1c(F)c(F)c(Br)c(F)c1F,Fc1c(F)c(F)c(Br)c(F)c1F,InChI=1/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6BrF5,,,,,,XEKTVXADUPBFOA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.866,206-452-7,344-25-2,D-(+)-proline,D-proline,OC(=O)[C@H]1CCCN1,OC(=O)[C@H]1CCCN1,"InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)",C5H9NO2,,,,,,ONIBWKKTOPOVIA-SCSAIBSYSA-N,,,,,,,,,,,
100.006.876,207-562-8,481-21-0,5-a-cholestane,cholestane,CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C,"InChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3",C27H48,,,,,,XIIAYQZJNBULGD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.877,207-563-3,481-29-8,3-ß-hydroxy-5-a-androstan-17-one,3-hydroxyandrostan-17-one,CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O,CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O,"InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3",C19H30O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11686,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.877,QGXBDMJGAMFCBF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.880,207-567-5,481-39-0,"5-hydroxy-1,4-naphthoquinone","5-hydroxy-1,4-naphthoquinone",Oc1cccc2C(=O)C=CC(=O)c12,Oc1cccc2C(=O)C=CC(=O)c12,"InChI=1/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H",C10H6O3,,,,,,KQPYUDDGWXQXHS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.882,207-569-6,481-42-5,"5-hydroxy-2-methyl-1,4-naphthoquinone","5-hydroxy-2-methyl-1,4-naphthoquinone",CC1=CC(=O)c2c(O)cccc2C1=O,CC1=CC(=O)c2c(O)cccc2C1=O,"InChI=1/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3",C11H8O3,,,,,,VCMMXZQDRFWYSE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.889,207-576-4,482-05-3,"Biphenyl-2,2'-dicarboxylic acid","biphenyl-2,2'-dicarboxylic acid",OC(=O)c1ccccc1c2ccccc2C(=O)O,OC(=O)c1ccccc1c2ccccc2C(=O)O,"InChI=1/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)",C14H10O4,,,,,,GWZCCUDJHOGOSO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.271,205-797-0,151-73-5,"Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11ß,16ß)-","Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)-",[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,"InChI=1/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1",C22H30FO8P.2Na,,,,,,PLCQGRYPOISRTQ-LWCNAHDDSA-N,,,,,,,,,,,
100.005.273,205-799-1,152-02-3,Levallorphan,17-allylmorphinan-3-ol,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1,"InChI=1/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2",C19H25NO,,,,,,OZYUPQUCAUTOBP-QXAKKESOSA-N,,,,,,,,,,,
100.005.276,205-802-6,152-22-7,Triethyl(2-hydroxyethyl)ammonium chloride,"N,N,N-triethyl-2-hydroxyethanaminium chloride",[Cl-].CC[N+](CC)(CC)CCO,[Cl-].CC[N+](CC)(CC)CCO,"InChI=1/C8H20NO.ClH/c1-4-9(5-2,6-3)7-8-10;/h10H,4-8H2,1-3H3;1H/q+1;/p-1",C8H20NO.Cl,,,,,,HABNQJVSCNCEQV-UHFFFAOYSA-M,,,,,,,,,,,
100.005.278,205-804-7,152-47-6,Sulfalene,4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide,COc1nccnc1NS(=O)(=O)c2ccc(N)cc2,COc1nccnc1NS(=O)(=O)c2ccc(N)cc2,"InChI=1/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",C11H12N4O3S,,,,,,KXRZBTAEDBELFD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.280,205-806-8,152-62-5,Dydrogesterone,"pregna-4,6-diene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,"InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3",C21H28O2,,,,,,JGMOKGBVKVMRFX-HQZYFCCVSA-N,Positive,SM874701,[M+H]+,HCD35,313.2162:295.2058:85.0648,CASMI_2016,,,,,
100.005.286,205-813-6,153-17-3,"3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-4H-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-3-[(3,3,4,4,5-pentahydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-4H-chromen-4-one (non-preferred name)",CC1OC(OC2=C(Oc3cc(O)c(CO)c(O)c3C2=O)c4ccc(O)c(O)c4)C(O)(O)C(O)(O)C1O,CC1OC(OC2=C(Oc3cc(O)c(CO)c(O)c3C2=O)c4ccc(O)c(O)c4)C(O)(O)C(O)(O)C1O,"InChI=1/C22H22O14/c1-7-19(29)21(30,31)22(32,33)20(34-7)36-18-16(28)14-13(5-11(25)9(6-23)15(14)27)35-17(18)8-2-3-10(24)12(26)4-8/h2-5,7,19-20,23-27,29-33H,6H2,1H3",C28H32O17,,,,,,FQQSVXJEJNGDOF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.287,205-814-1,153-18-4,Rutoside,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",C27H30O16,,,,,,IKGXIBQEEMLURG-NVPNHPEKSA-N,,,,,,,,,,,
100.005.291,205-818-3,153-87-7,Oxypertine,"5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole",COc1cc2[nH]c(C)c(CCN3CCN(CC3)c4ccccc4)c2cc1OC,COc1cc2[nH]c(C)c(CCN3CCN(CC3)c4ccccc4)c2cc1OC,"InChI=1/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3",C23H29N3O2,,,,,,XCWPUUGSGHNIDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.295,205-823-0,154-17-6,2-deoxy-D-glucose,2-deoxy-D-arabino-hexopyranose,O[C@@H]1[C@@H](CO)OC(O)C[C@H]1O,O[C@@H]1[C@@H](CO)OC(O)C[C@H]1O,"InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2",C6H12O5,,,,,,PMMURAAUARKVCB-CERMHHMHSA-N,,,,,,,,,,,
100.005.298,205-826-7,154-41-6,(+)-a-(1-aminoethyl)benzyl alcohol hydrochloride,2-amino-1-phenylpropan-1-ol hydrochloride,Cl.CC(N)C(O)c1ccccc1,Cl.CC(N)C(O)c1ccccc1,"InChI=1/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H",C9H13NO.ClH,,,,,,DYWNLSQWJMTVGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.299,205-827-2,154-42-7,Tioguanine,"2-amino-1,9-dihydro-6H-purine-6-thione",NC1=Nc2[nH]cnc2C(=S)N1,NC1=Nc2[nH]cnc2C(=S)N1,"InChI=1/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",C5H5N5S,,,,,,WYWHKKSPHMUBEB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.301,205-829-3,154-58-5,"1,5-anhydro-D-glucitol","1,5-anhydro-D-glucitol",OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2",C6H12O5,,,,,,MPCAJMNYNOGXPB-SLPGGIOYSA-N,,,,,,,,,,,
100.005.302,205-830-9,154-62-1,"2-(3,4-dihydroxyphenyl)valeramide","2-(3,4-dihydroxyphenyl)pentanamide",CCCC(C(=O)N)c1ccc(O)c(O)c1,CCCC(C(=O)N)c1ccc(O)c(O)c1,"InChI=1/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)",C11H15NO3,,,,,,GDXQWRJYXZXWMT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.305,205-834-0,154-85-8,"Sodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","sodium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",[Na+].[O-]C(=O)C1=CC(=O)NC(=O)N1,[Na+].[O-]C(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C5H4N2O4.Na/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1",C5H4N2O4.Na,,,,,,ZTHMWDSJKLNDTE-UHFFFAOYSA-M,,,,,,,,,,,
100.005.782,206-359-1,330-95-0,"1,3-bis(4-nitrophenyl)urea--4,6-dimethylpyrimidin-2-ol (1:1)","1,3-bis(4-nitrophenyl)urea - 4,6-dimethylpyrimidin-2-ol (1:1)",Cc1cc(C)nc(O)n1.[O-][N+](=O)c2ccc(NC(=O)Nc3ccc(cc3)[N+](=O)[O-])cc2,Cc1cc(C)nc(O)n1.[O-][N+](=O)c2ccc(NC(=O)Nc3ccc(cc3)[N+](=O)[O-])cc2,"InChI=1/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)",C13H10N4O5.C6H8N2O,,,,,,UKHWDRMMMYWSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.784,206-361-2,331-39-5,"3,4-dihydroxycinnamic acid","3-(3,4-dihydroxyphenyl)acrylic acid",OC(=O)\\C=C\\c1ccc(O)c(O)c1,OC(=O)\C=C\c1ccc(O)c(O)c1,"InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",C9H8O4,,,,,,QAIPRVGONGVQAS-DUXPYHPUSA-N,,,,,,,,,,,
100.005.785,206-362-8,332-14-9,1-phenethylpiperidine,1-(2-phenylethyl)piperidine,C(Cc1ccccc1)N2CCCCC2,C(Cc1ccccc1)N2CCCCC2,"InChI=1/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2",C13H19N,,,,,,DBDVAKGHPZJLTH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.786,206-363-3,332-25-2,4-(trifluoromethoxy)benzonitrile,4-(trifluoromethoxy)benzonitrile,FC(F)(F)Oc1ccc(cc1)C#N,FC(F)(F)Oc1ccc(cc1)C#N,"InChI=1/C8H4F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H",C8H4F3NO,,,,,,XWHIXOMWXCHJPP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.790,206-368-0,332-80-9,1-methyl-L-histidine,1-methyl-L-histidine,Cn1cnc(C[C@H](N)C(=O)O)c1,Cn1cnc(C[C@H](N)C(=O)O)c1,"InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)",C7H11N3O2,,,,,,BRMWTNUJHUMWMS-LURJTMIESA-N,,,,,,,,,,,
100.005.793,206-371-7,333-27-7,Methyl trifluoromethanesulphonate,methyl trifluoromethanesulfonate,COS(=O)(=O)C(F)(F)F,COS(=O)(=O)C(F)(F)F,"InChI=1/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3",C2H3F3O3S,,,,,,OIRDBPQYVWXNSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.798,206-376-4,334-48-5,Decanoic acid,decanoic acid,CCCCCCCCCC(=O)O,CCCCCCCCCC(=O)O,"InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",C10H20O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18512,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.798,GHVNFZFCNZKVNT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.804,206-383-2,334-99-6,Trifluoronitrosomethane,trifluoro(nitroso)methane,FC(F)(F)N=O,FC(F)(F)N=O,"InChI=1/CF3NO/c2-1(3,4)5-6",CF3NO,,,,,,PGOMVYSURVZIIW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.805,206-384-8,335-05-7,Trifluoromethanesulphonyl fluoride,trifluoromethanesulfonyl fluoride,FC(F)(F)S(=O)(=O)F,FC(F)(F)S(=O)(=O)F,"InChI=1/CF4O2S/c2-1(3,4)8(5,6)7",CF4O2S,,,,,,SLVAEVYIJHDKRO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.822,206-404-5,335-95-5,Sodium pentadecafluorooctanoate,sodium pentadecafluorooctanoate,[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1",C8HF15O2.Na,,,,,,LWHQXUODFPPQTL-UHFFFAOYSA-M,,,,,,,,,,,
100.005.823,206-405-0,335-97-7,"N-allyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonamide","N-allyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,"InChI=1/C8H6F11NO2S/c1-2-3-20-23(21,22)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2,20H,1,3H2",C8H6F11NO2S,,,,,,YJJPIVVOMTXOQC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.832,206-415-5,337-47-3,"5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative",-,[Na+].CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,[Na+].CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,"InChI=1/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1",C12H18N2O2S.Na,,,,,,LYZGJWXNOGIVQA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.839,206-422-3,338-95-4,Isoflupredone,"9-fluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione",OCC(=O)[C@@]4(O)CC[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\\C(=O)/C=C3/CC[C@@H]12,OCC(=O)[C@@]4(O)CC[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/CC[C@@H]12,"InChI=1/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3",C21H27FO5,,,,,,WAIJIHDWAKJCBX-BULBTXNYSA-N,,,,,,,,,,,
100.005.843,206-427-0,339-72-0,L-4-aminoisoxazolidin-3-one,4-aminoisoxazolidin-3-one,NC1CONC1=O,NC1CONC1=O,"InChI=1/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)",C3H6N2O2,,,,,,DYDCUQKUCUHJBH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.847,206-431-2,340-56-7,Methaqualone hydrochloride,2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one hydrochloride,Cl.CC1=Nc2ccccc2C(=O)N1c3ccccc3C,Cl.CC1=Nc2ccccc2C(=O)N1c3ccccc3C,"InChI=1/C16H14N2O.ClH/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;/h3-10H,1-2H3;1H",C16H14N2O.ClH,,,,,,KJUHIXIWKSVBKB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.860,206-445-9,343-65-7,a-2-diamino-<U+03B3>-oxobenzenebutyric acid,2-amino-4-(2-aminophenyl)-4-oxobutanoic acid,NC(CC(=O)c1ccccc1N)C(=O)O,NC(CC(=O)c1ccccc1N)C(=O)O,"InChI=1/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)",C10H12N2O3,,,,,,YGPSJZOEDVAXAB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.868,206-454-8,344-80-9,2-amino-2'-fluoro-5-nitrobenzophenone,(2-amino-5-nitrophenyl)(2-fluorophenyl)methanone,Nc1ccc(cc1C(=O)c2ccccc2F)[N+](=O)[O-],Nc1ccc(cc1C(=O)c2ccccc2F)[N+](=O)[O-],"InChI=1/C13H9FN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2",C13H9FN2O3,,,,,,ZTEHQPVGEHUXHI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.101,213-311-3,936-02-7,Salicylohydrazide,2-hydroxybenzohydrazide,NNC(=O)c1ccccc1O,NNC(=O)c1ccccc1O,"InChI=1/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11)",C7H8N2O2,,,,,,XSXYESVZDBAKKT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.103,213-313-4,936-49-2,2-phenyl-2-imidazoline,"2-phenyl-4,5-dihydro-1H-imidazole",C1CN=C(N1)c2ccccc2,C1CN=C(N1)c2ccccc2,"InChI=1/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)",C9H10N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12385,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.103,BKCCAYLNRIRKDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.104,213-315-5,936-51-6,"2-phenyl-1,3-dioxolane","2-phenyl-1,3-dioxolane",C1COC(O1)c2ccccc2,C1COC(O1)c2ccccc2,"InChI=1/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2",C9H10O2,,,,,,LYINTWKRUWVLBA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.633,211-695-7,687-48-9,Ethyl dimethylcarbamate,ethyl dimethylcarbamate,CCOC(=O)N(C)C,CCOC(=O)N(C)C,"InChI=1/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3",C5H11NO2,,,,,,SUDHEDJJFGYYPL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.643,211-706-5,688-74-4,Tributyl borate,tributyl borate,CCCCOB(OCCCC)OCCCC,CCCCOB(OCCCC)OCCCC,"InChI=1/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",C12H27BO3,,,,,,LGQXXHMEBUOXRP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.644,211-707-0,688-82-4,"1,1-diethoxyheptane","1,1-diethoxyheptane",CCCCCCC(OCC)OCC,CCCCCCC(OCC)OCC,"InChI=1/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3",C11H24O2,,,,,,UGOCNHASEZIJFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.646,211-709-1,689-11-2,sec-butylurea,1-sec-butylurea,CCC(C)NC(=O)N,CCC(C)NC(=O)N,"InChI=1/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)",C5H12N2O,,,,,,CBRSBDUOPJQVMP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.652,211-715-4,690-12-0,(2-chloroethyl)phosphonic dichloride,(2-chloroethyl)phosphonic dichloride,ClCCP(=O)(Cl)Cl,ClCCP(=O)(Cl)Cl,"InChI=1/C2H4Cl3OP/c3-1-2-7(4,5)6/h1-2H2",C2H4Cl3OP,,,,,,LOUZURPQCYZSJH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.653,211-717-5,690-27-7,"1,1,3,3,3-pentafluoropropene","1,1,3,3,3-pentafluoroprop-1-ene",FC(=CC(F)(F)F)F,FC(=CC(F)(F)F)F,"InChI=1/C3HF5/c4-2(5)1-3(6,7)8/h1H",C3HF5,,,,,,QAERDLQYXMEHEB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.655,211-719-6,691-24-7,Di-tert-butylcarbodiimide,"N,N'-di-tert-butylcarbodiimide",CC(C)(C)N=C=NC(C)(C)C,CC(C)(C)N=C=NC(C)(C)C,"InChI=1/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3",C9H18N2,,,,,,IDVWLLCLTVBSCS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.657,211-721-7,691-38-3,cis-4-methylpent-2-ene,4-methylpent-2-ene,C\\C=C/C(C)C,C\C=C/C(C)C,"InChI=1/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3",C6H12,,,,,,LGAQJENWWYGFSN-PLNGDYQASA-N,,,,,,,,,,,
100.010.666,211-731-1,692-48-8,"(E)-2,2,5,5-tetramethylhex-3-ene","2,2,5,5-tetramethylhex-3-ene",CC(C)(C)\\C=C\\C(C)(C)C,CC(C)(C)\C=C\C(C)(C)C,"InChI=1/C10H20/c1-9(2,3)7-8-10(4,5)6/h7-8H,1-6H3",C10H20,,,,,,UYWLQEPMPVDASH-BQYQJAHWSA-N,,,,,,,,,,,
100.010.684,211-751-0,693-38-9,Vinyl palmitate,vinyl palmitate,CCCCCCCCCCCCCCCC(=O)OC=C,CCCCCCCCCCCCCCCC(=O)OC=C,"InChI=1/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h4H,2-3,5-17H2,1H3",C18H34O2,,,,,,UJRIYYLGNDXVTA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.685,211-752-6,693-54-9,Decan-2-one,decan-2-one,CCCCCCCCC(=O)C,CCCCCCCCC(=O)C,"InChI=1/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3",C10H20O,,,,,,ZAJNGDIORYACQU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.489,211-536-1,659-70-1,3-methylbutyl isovalerate,3-methylbutyl 3-methylbutanoate,CC(C)CCOC(=O)CC(C)C,CC(C)CCOC(=O)CC(C)C,"InChI=1/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3",C10H20O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16674,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.489,XINCECQTMHSORG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.493,211-540-3,660-60-6,Copper distearate,copper(2+) dioctadecanoate,[Cu+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC,[Cu+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/2C18H36O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Cu,,,,,,PEVZEFCZINKUCG-UHFFFAOYSA-L,,,,,,,,,,,
100.010.496,211-544-5,660-88-8,5-aminovaleric acid,5-aminopentanoic acid,NCCCCC(=O)O,NCCCCC(=O)O,"InChI=1/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)",C5H11NO2,,,,,,JJMDCOVWQOJGCB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.501,211-549-2,661-69-8,Hexamethyldistannane,hexamethyldistannane,C[Sn](C)(C)[Sn](C)(C)C,C[Sn](C)(C)[Sn](C)(C)C,"InChI=1/6CH3.2Sn/h6*1H3;;/rC6H18Sn2/c1-7(2,3)8(4,5)6/h1-6H3",C6H18Sn2,,,,,,CCRMAATUKBYMPA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.505,211-553-4,662-50-0,"2,2,3,3,4,4,4-heptafluorobutyramide","2,2,3,3,4,4,4-heptafluorobutanamide",NC(=O)C(F)(F)C(F)(F)C(F)(F)F,NC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13)",C4H2F7NO,,,,,,FOBJABJCODOMEO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.508,211-557-6,664-95-9,Glycyclamide,N-(cyclohexylcarbamoyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,"InChI=1/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,15,16,17)",C14H20N2O3S,,,,,,RIGBPMDIGYBTBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.890,207-578-5,482-15-5,Isothipendyl,"N,N-dimethyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-2-amine",CC(CN1c2ccccc2Sc3cccnc13)N(C)C,CC(CN1c2ccccc2Sc3cccnc13)N(C)C,"InChI=1/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3",C16H19N3S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6781,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.890,OQJBSDFFQWMKBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.536,206-088-9,300-30-1,"O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine","O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine",NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,"InChI=1/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)",C15H11I4NO4,,,,,,XUIIKFGFIJCVMT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.537,206-089-4,300-37-8,Diodone,"(3,5-diiodo-4-oxopyridin-1(4H)-yl)acetic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)CN1C=C(I)C(=O)C(=C1)I,OCCNCCO.OC(=O)CN1C=C(I)C(=O)C(=C1)I,"InChI=1/C7H5I2NO3.C4H11NO2/c8-4-1-10(3-6(11)12)2-5(9)7(4)13;6-3-1-5-2-4-7/h1-2H,3H2,(H,11,12);5-7H,1-4H2",C7H5I2NO3.C4H11NO2,,,,,,RERHJVNYJKZHLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.539,206-092-0,300-39-0,"3,5-diiodo-L-tyrosine","3,5-diiodotyrosine",N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,"InChI=1/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)",C9H9I2NO3,,,,,,NYPYHUZRZVSYKL-ZETCQYMHSA-N,,,,,,,,,,,
100.005.547,206-100-2,300-87-8,"3,5-dimethylisoxazole","3,5-dimethylisoxazole",Cc1onc(C)c1,Cc1onc(C)c1,"InChI=1/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3",C5H7NO,,,,,,FICAQKBMCKEFDI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.549,206-102-3,301-00-8,"Methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate","methyl octadeca-9,12,15-trienoate",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)OC,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC,"InChI=1/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3",C19H32O2,,,,,,DVWSXZIHSUZZKJ-YSTUJMKBSA-N,,,,,,,,,,,
100.005.550,206-103-9,301-02-0,Oleamide,octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)N,CCCCCCCC\C=C/CCCCCCCC(=O)N,"InChI=1/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)",C18H35NO,,,,,,FATBGEAMYMYZAF-KTKRTIGZSA-N,,,,,,,,,,,
100.005.553,206-107-0,301-08-6,Lead bis(2-ethylhexanoate),-,[Pb+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O,[Pb+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O,"InChI=1/2C8H16O2.Pb.2H/c2*1-3-5-6-7(4-2)8(9)10;;;/h2*7H,3-6H2,1-2H3,(H,9,10);;;/q;;+4;;/p-2/r2C8H16O2.H2Pb/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);1H2/q;;+4/p-2",C8H16O2.1/2Pb,,,,,,RUCPTXWJYHGABR-UHFFFAOYSA-L,,,,,,,,,,,
100.005.557,206-111-2,301-13-3,Tris(2-ethylhexyl) phosphite,tris(2-ethylhexyl) phosphite,CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC,CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",C24H51O3P,,,,,,ILLOBGFGKYTZRO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.560,206-114-9,"302-01-2, 7803-57-8",Hydrazine,hydrazine,NN,NN,InChI=1/H4N2/c1-2/h1-2H2,H4N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14983,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.560,OAKJQQAXSVQMHS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.561,206-115-4,302-15-8,Methylhydrazinium sulphate,bis(methyldiazanium) sulfate,C[NH2+]N.C[NH2+]N.[O-]S(=O)(=O)[O-],C[NH2+]N.C[NH2+]N.[O-]S(=O)(=O)[O-],"InChI=1/2CH6N2.H2O4S/c2*1-3-2;1-5(2,3)4/h2*3H,2H2,1H3;(H2,1,2,3,4)",CH6N2.H2O4S,,,,,,OWEGTCQJBXYLIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.567,206-122-2,302-31-8,Morphine tartrate,"17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol 2,3-dihydroxysuccinate (salt)",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OC(C(O)C(=O)O)C(=O)O,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C17H19NO3.C4H6O6/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;5-1(3(7)8)2(6)4(9)10/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C17H19NO3.1/2C4H6O6,,,,,,NKSQAASSPHISNQ-VYKNHSEDSA-N,,,,,,,,,,,
100.005.571,206-126-4,302-72-7,DL-alanine,alanine,CC(N)C(=O)O,CC(N)C(=O)O,"InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)",C3H7NO2,,,,,,QNAYBMKLOCPYGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.584,206-141-6,303-42-4,Metenolone enantate,1-methyl-3-oxoandrost-1-en-17-yl heptanoate,CCCCCCC(=O)OC1CCC2C3CCC4CC(=O)C=C(C)C4(C)C3CCC12C,CCCCCCC(=O)OC1CCC2C3CCC4CC(=O)C=C(C)C4(C)C3CCC12C,"InChI=1/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3",C27H42O3,,,,,,TXUICONDJPYNPY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.585,206-142-1,303-43-5,Cholest-5-en-3-ß-yl oleate,cholest-5-en-3-yl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3",C45H78O2,,,,,,RJECHNNFRHZQKU-RMUVNZEASA-N,,,,,,,,,,,
100.005.314,205-844-5,155-41-9,N-methylhyoscinium bromide,"7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane",C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,"InChI=1/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1",C18H24NO4.Br,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7234,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.314,LZCOQTDXKCNBEE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.315,205-845-0,155-58-8,3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl-ß-D-glucopyranoside,2-O-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl}-beta-D-glucopyranose,O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3Oc1cc(cc(O)c1)\\C=C\\c2ccc(OC)c(O)c2,O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3Oc1cc(cc(O)c1)\C=C\c2ccc(OC)c(O)c2,"InChI=1/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-20-19(26)18(25)17(10-22)30-21(20)27/h2-9,17-27H,10H2,1H3",C21H24O9,,,,,,YGNYWGBZKLQLDD-DXKBKAGUSA-N,,,,,,,,,,,
100.005.319,205-849-2,156-28-5,Phenethylammonium chloride,2-phenylethanaminium chloride,[Cl-].[NH3+]CCc1ccccc1,[Cl-].[NH3+]CCc1ccccc1,"InChI=1/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H",C8H11N.ClH,,,,,,SKHIBNDAFWIOPB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.322,205-852-9,156-39-8,4-hydroxyphenylpyruvic acid,3-(4-hydroxyphenyl)-2-oxopropanoic acid,OC(=O)C(=O)Cc1ccc(O)cc1,OC(=O)C(=O)Cc1ccc(O)cc1,"InChI=1/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)",C9H8O4,,,,,,KKADPXVIOXHVKN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.323,205-853-4,156-41-2,p-chlorophenethylamine,2-(4-chlorophenyl)ethanamine,NCCc1ccc(Cl)cc1,NCCc1ccc(Cl)cc1,"InChI=1/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2",C8H10ClN,,,,,,SRXFXCKTIGELTI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.329,205-860-2,156-60-5,trans-dichloroethylene,"1,2-dichloroethene",Cl[C@H]=CCl,Cl[C@H]=CCl,InChI=1/C2H2Cl2/c3-1-2-4/h1-2H,C2H2Cl2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16486,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.329,KFUSEUYYWQURPO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.330,205-861-8,156-62-7,Calcium cyanamide,-,[Ca+2].NC#N,[Ca+2].NC#N,InChI=1/CH2N2.Ca/c2-1-3;/h2H2;/q;+2,CH2N2.Ca,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12164,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.330,STRTXDFFNXSZQB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.332,205-863-9,156-83-2,"4-chloro-2,6-diaminopyrimidine","6-chloropyrimidine-2,4-diamine",Nc1cc(Cl)nc(N)n1,Nc1cc(Cl)nc(N)n1,"InChI=1/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)",C4H5ClN4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17265,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.332,QJIUMVUZDYPQRT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.336,205-868-6,177-11-7,"1,4-dioxa-8-azaspiro[4.5]decane","1,4-dioxa-8-azaspiro[4.5]decane",C1CC2(CCN1)OCCO2,C1CC2(CCN1)OCCO2,"InChI=1/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2",C7H13NO2,,,,,,KPKNTUUIEVXMOH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.337,205-869-1,178-10-9,"3,3'-spirobi[3H-naphtho[2,1-b]pyran]","3,3'-spirobi[benzo[f]chromene]",O1c2ccc3ccccc3c2C=CC14Oc5ccc6ccccc6c5C=C4,O1c2ccc3ccccc3c2C=CC14Oc5ccc6ccccc6c5C=C4,InChI=1/C25H16O2/c1-3-7-19-17(5-1)9-11-23-21(19)13-15-25(26-23)16-14-22-20-8-4-2-6-18(20)10-12-24(22)27-25/h1-16H,C25H16O2,,,,,,XJPKXCFTCNYEKP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.340,205-872-8,182-01-4,"7,8,15,16,23,24-hexaoxatrispiro[5.2.5.2.5.2]tetracosane","7,8,15,16,23,24-hexaoxatrispiro[5.2.5~9~.2.5~17~.2~6~]tetracosane",C1CCC2(CC1)OOC3(CCCCC3)OOC4(CCCCC4)OO2,C1CCC2(CC1)OOC3(CCCCC3)OOC4(CCCCC4)OO2,InChI=1/C18H30O6/c1-4-10-16(11-5-1)19-21-17(12-6-2-7-13-17)23-24-18(22-20-16)14-8-3-9-15-18/h1-15H2,C18H30O6,,,,,,JRYHDZOSVUAAJC-UHFFFAOYSA-N,,,,,,,,,,,
100.003.973,204-370-6,120-11-6,Benzyl 2-methoxy-4-prop-1-enylphenyl ether,1-(benzyloxy)-2-methoxy-4-prop-1-en-1-ylbenzene,COc2cc(ccc2OCc1ccccc1)C=CC,COc2cc(ccc2OCc1ccccc1)C=CC,"InChI=1/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3",C17H18O2,,,,,,YKSSSKBJDZDZTD-UHFFFAOYSA-N,,,,,,,,,,,
100.003.974,204-371-1,120-12-7,Anthracene,anthracene,c1ccc2cc3ccccc3cc2c1,c1ccc2cc3ccccc3cc2c1,InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H,C14H10,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2151,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.974,MWPLVEDNUUSJAV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.976,204-373-2,120-14-9,Veratraldehyde,"3,4-dimethoxybenzaldehyde",COc1ccc(C=O)cc1OC,COc1ccc(C=O)cc1OC,"InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3",C9H10O3,,,,,,WJUFSDZVCOTFON-UHFFFAOYSA-N,,,,,,,,,,,
100.003.980,204-377-4,120-21-8,4-diethylaminobenzaldehyde,4-(diethylamino)benzaldehyde,CCN(CC)c1ccc(C=O)cc1,CCN(CC)c1ccc(C=O)cc1,"InChI=1/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3",C11H15NO,,,,,,MNFZZNNFORDXSV-UHFFFAOYSA-N,,,,,,,,,,,
100.003.984,204-382-1,120-25-2,4-ethoxy-3-methoxybenzaldehyde,4-ethoxy-3-methoxybenzaldehyde,CCOc1ccc(C=O)cc1OC,CCOc1ccc(C=O)cc1OC,"InChI=1/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3",C10H12O3,,,,,,BERFDQAMXIBOHM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.985,204-383-7,120-26-3,"3,4-dimethoxy-a-methylphenethylamine","1-(3,4-dimethoxyphenyl)propan-2-amine",COc1ccc(CC(C)N)cc1OC,COc1ccc(CC(C)N)cc1OC,"InChI=1/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3",C11H17NO2,,,,,,KAZPHAGSWZTKDW-UHFFFAOYSA-N,,,,,,,,,,,
100.003.990,204-388-4,120-35-4,3-amino-4-methoxybenzanilide,3-amino-4-methoxy-N-phenylbenzamide,COc1ccc(cc1N)C(=O)Nc2ccccc2,COc1ccc(cc1N)C(=O)Nc2ccccc2,"InChI=1/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)",C14H14N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11279,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.990,LHMQDVIHBXWNII-UHFFFAOYSA-N,,,,,,,,,,,
100.005.872,206-459-5,345-29-9,4-fluorosalicylic acid,4-fluoro-2-hydroxybenzoic acid,OC(=O)c1ccc(F)cc1O,OC(=O)c1ccc(F)cc1O,"InChI=1/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)",C7H5FO3,,,,,,TTZOLDXHOCCNMF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.875,207-561-2,481-16-3,"(3ß,22E,24R)-stigmasta-5,22-dien-3-ol","stigmasta-5,22-dien-3-ol",CC[C@@H](\\C=C\\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3",C29H48O,,,,,,HCXVJBMSMIARIN-KEJCWXRGSA-N,,,,,,,,,,,
100.006.885,207-572-2,481-74-3,"1,8-dihydroxy-3-methylanthraquinone","1,8-dihydroxy-3-methyl-9,10-anthraquinone",Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,"InChI=1/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3",C15H10O4,,,,,,LQGUBLBATBMXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.887,207-574-3,481-91-4,"1,1'-binaphthyl-4,4'-ylenediamine","1,1'-binaphthalene-4,4'-diamine",Nc1ccc(c2ccc(N)c3ccccc23)c4ccccc14,Nc1ccc(c2ccc(N)c3ccccc23)c4ccccc14,"InChI=1/C20H16N2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H,21-22H2",C20H16N2,,,,,,RZPBZEISZUFQSV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.540,206-093-6,300-42-5,"N,a-dimethylphenethylamine hydrochloride",N-methyl-1-phenylpropan-2-amine hydrochloride,Cl.CNC(C)Cc1ccccc1,Cl.CNC(C)Cc1ccccc1,"InChI=1/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H",C10H15N.ClH,,,,,,TWXDDNPPQUTEOV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.545,206-098-3,300-76-5,Naled,"1,2-dibromo-2,2-dichloroethyl dimethyl phosphate",COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,"InChI=1/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3",C4H7Br2Cl2O4P,,,,,,BUYMVQAILCEWRR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.546,206-099-9,300-85-6,3-hydroxybutyric acid,3-hydroxybutanoic acid,CC(O)CC(=O)O,CC(O)CC(=O)O,"InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)",C4H8O3,,,,,,WHBMMWSBFZVSSR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.558,206-112-8,301-15-5,"1,1'-decamethylenediguanidinium dichloride","N,N'''-decane-1,10-diyldiguanidine",NC(=N)NCCCCCCCCCCNC(=N)N,NC(=N)NCCCCCCCCCCNC(=N)N,"InChI=1/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)",C12H28N6.2ClH,,,,,,OZZMUVKANAPKGI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.562,206-117-5,302-17-0,"2,2,2-trichloroethane-1,1-diol","2,2,2-trichloroethane-1,1-diol",OC(O)C(Cl)(Cl)Cl,OC(O)C(Cl)(Cl)Cl,"InChI=1/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H",C2H3Cl3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17704,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.562,RNFNDJAIBTYOQL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.565,206-120-1,302-25-0,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)","11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate",CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP(=O)(O)O,CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP(=O)(O)O,"InChI=1/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)",C21H29O8P,,,,,,JDOZJEUDSLGTLU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.566,206-121-7,302-27-2,Aconitine,"8-acetoxy-20-ethyl-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate",CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7,CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7,"InChI=1/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3",C34H47NO11,,,,,,XFSBVAOIAHNAPC-XTHSEXKGSA-N,,,,,,,,,,,
100.005.568,206-123-8,302-40-9,Benactyzine,2-(diethylamino)ethyl hydroxy(diphenyl)acetate,CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3",C20H25NO3,,,,,,IVQOFBKHQCTVQV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.572,206-128-5,302-76-1,17-a-methyloestradiol-17-beta,"17-methylestra-1,3,5(10)-triene-3,17-diol",CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC12C,CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC12C,"InChI=1/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3",C19H26O2,,,,,,JXQJDYXWHSVOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.005.574,206-130-6,302-84-1,DL-serine,serine,NC(CO)C(=O)O,NC(CO)C(=O)O,"InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)",C3H7NO3,,,,,,MTCFGRXMJLQNBG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.576,206-132-7,302-95-4,"Sodium 3-a,12-a-dihydroxy-5-ß-cholan-24-oate","sodium 3,12-dihydroxycholan-24-oate",[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1",C24H40O4.Na,,,,,,FHHPUSMSKHSNKW-SMOYURAASA-M,,,,,,,,,,,
100.010.510,211-559-7,665-46-3,Tetraethylammonium fluoride,"N,N,N-triethylethanaminium fluoride",[F-].CC[N+](CC)(CC)CC,[F-].CC[N+](CC)(CC)CC,"InChI=1/C8H20N.FH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",C8H20N.F,,,,,,QSUJAUYJBJRLKV-UHFFFAOYSA-M,,,,,,,,,,,
100.010.515,211-564-4,666-84-2,"[1R-(1a,4aß,4ba,10aa)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol","abieta-7,13-dien-18-ol",CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1,CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1,"InChI=1/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3",C20H32O,,,,,,GQRUHVMVWNKUFW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.518,211-568-6,667-49-2,"2,3,3-trifluoroacryloyl fluoride","2,3,3-trifluoroacryloyl fluoride",FC(=C(F)C(=O)F)F,FC(=C(F)C(=O)F)F,InChI=1/C3F4O/c4-1(2(5)6)3(7)8,C3F4O,,,,,,SJGGAMMXIZFWSF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.520,211-570-7,667-91-4,10-(diphenylmethylene)anthracen-9(10H)-one,10-(diphenylmethylene)anthracen-9(10H)-one,O=C1c2ccccc2C(=C(c3ccccc3)c4ccccc4)c5ccccc15,O=C1c2ccccc2C(=C(c3ccccc3)c4ccccc4)c5ccccc15,InChI=1/C27H18O/c28-27-23-17-9-7-15-21(23)26(22-16-8-10-18-24(22)27)25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H,C27H18O,,,,,,SPOJSTUMWGMCFP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.523,211-573-3,668-94-0,"4,5-diphenyl-1H-imidazole","4,5-diphenyl-1H-imidazole",c1ccc(cc1)c2nc[nH]c2c3ccccc3,c1ccc(cc1)c2nc[nH]c2c3ccccc3,"InChI=1/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)",C15H12N2,,,,,,CPHGOBGXZQKCKI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.528,211-579-6,670-80-4,N-(cyclohex-1-en-1-yl)morpholine,4-cyclohex-1-en-1-ylmorpholine,C1CCC(=CC1)N2CCOCC2,C1CCC(=CC1)N2CCOCC2,"InChI=1/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2",C10H17NO,,,,,,IIQFBBQJYPGOHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.529,211-580-1,670-95-1,4-phenylimidazole,4-phenyl-1H-imidazole,c1ccc(cc1)c2c[nH]cn2,c1ccc(cc1)c2c[nH]cn2,"InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)",C9H8N2,,,,,,XHLKOHSAWQPOFO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.530,211-581-7,670-96-2,2-phenylimidazole,2-phenyl-1H-imidazole,c1ccc(cc1)c2ncc[nH]2,c1ccc(cc1)c2ncc[nH]2,"InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)",C9H8N2,,,,,,ZCUJYXPAKHMBAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.533,211-584-3,671-42-1,3-aminohexahydro-2H-azepin-2-one,3-aminoazepan-2-one,NC1CCCCNC1=O,NC1CCCCNC1=O,"InChI=1/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)",C6H12N2O,,,,,,BOWUOGIPSRVRSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.534,211-585-9,671-88-5,Disulfamide,"4-chloro-6-methylbenzene-1,3-disulfonamide",Cc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N,Cc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N,"InChI=1/C7H9ClN2O4S2/c1-4-2-5(8)7(16(10,13)14)3-6(4)15(9,11)12/h2-3H,1H3,(H2,9,11,12)(H2,10,13,14)",C7H9ClN2O4S2,,,,,,RCFKEIREOSXLET-UHFFFAOYSA-N,,,,,,,,,,,
100.011.267,212-393-8,814-16-4,"Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate","diethyl (3,3-dimethyl-2-oxobutyl)phosphonate",CCOP(=O)(CC(=O)C(C)(C)C)OCC,CCOP(=O)(CC(=O)C(C)(C)C)OCC,"InChI=1/C10H21O4P/c1-6-13-15(12,14-7-2)8-9(11)10(3,4)5/h6-8H2,1-5H3",C10H21O4P,,,,,,LOUZJUCIRJMGHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.268,212-394-3,814-29-9,Tributylphosphine oxide,tributylphosphine oxide,CCCCP(=O)(CCCC)CCCC,CCCCP(=O)(CCCC)CCCC,"InChI=1/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27OP,,,,,,MNZAKDODWSQONA-UHFFFAOYSA-N,Positive,EQ358901|EQ358902|EQ358903|EQ358904|EQ358905|EQ358906|EQ358907|EQ358908|EQ358909,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,219.1873:78.0228:92.0385|219.1872:78.0228:92.0384|219.1872:163.1246:78.0226|219.1872:163.1246:92.0385|219.1873:78.0229:92.0386|78.0229:92.0386:62.9994|62.9995:78.0229:95.0257|62.9994:95.0257:77.015|62.9994:95.0257:77.015,Eawag,,,,,
100.011.269,212-395-9,814-35-7,2-[(diethoxyphosphinyl)oxy]ethyl methacrylate,2-[(diethoxyphosphoryl)oxy]ethyl methacrylate,CCOP(=O)(OCC)OCCOC(=O)C(=C)C,CCOP(=O)(OCC)OCCOC(=O)C(=C)C,"InChI=1/C10H19O6P/c1-5-14-17(12,15-6-2)16-8-7-13-10(11)9(3)4/h3,5-8H2,1-2,4H3",C10H19O6P,,,,,,ULFGMWXPMBPUSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.271,212-398-5,814-67-5,"Propane-1,2-dithiol","propane-1,2-dithiol",CC(S)CS,CC(S)CS,"InChI=1/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3",C3H8S2,,,,,,YGKHJWTVMIMEPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.279,212-407-2,814-87-9,Dialuminium trioxalate,dialuminium trioxalate,[Al+3].[Al+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Al+3].[Al+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Al/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C6Al2O12,,,,,,ZCLVNIZJEKLGFA-UHFFFAOYSA-H,,,,,,,,,,,
100.011.289,212-418-2,815-17-8,"3,3-dimethyl-2-oxobutyric acid","3,3-dimethyl-2-oxobutanoic acid",CC(C)(C)C(=O)C(=O)O,CC(C)(C)C(=O)C(=O)O,"InChI=1/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)",C6H10O3,,,,,,IAWVHZJZHDSEOC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.290,212-419-8,815-24-7,"2,2,4,4-tetramethylpentan-3-one","2,2,4,4-tetramethylpentan-3-one",CC(C)(C)C(=O)C(C)(C)C,CC(C)(C)C(=O)C(C)(C)C,"InChI=1/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3",C9H18O,,,,,,UIQGEWJEWJMQSL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.292,212-421-9,815-58-7,"2,3,3-trichloroacryloyl chloride","2,3,3-trichloroacryloyl chloride",ClC(=C(Cl)C(=O)Cl)Cl,ClC(=C(Cl)C(=O)Cl)Cl,InChI=1/C3Cl4O/c4-1(2(5)6)3(7)8,C3Cl4O,,,,,,BCOSEZGCLGPUSL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.686,213-953-4,1069-22-3,Bis-(2-ethylhexanoyl) peroxide,bis(1-ethylpentyl)peroxyanhydride,CCCCC(CC)C(=O)OOC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OOC(=O)C(CC)CCCC,"InChI=1/C16H30O4/c1-5-9-11-13(7-3)15(17)19-20-16(18)14(8-4)12-10-6-2/h13-14H,5-12H2,1-4H3",C16H30O4,,,,,,ZTFSXSAVDJCOLB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.688,213-956-0,1069-31-4,DL-ornithine monohydrochloride,ornithine hydrochloride,Cl.NCCCC(N)C(=O)O,Cl.NCCCC(N)C(=O)O,"InChI=1/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H",C5H12N2O2.ClH,,,,,,GGTYBZJRPHEQDG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.690,213-958-1,1069-55-2,Bucrilate,isobutyl 2-cyanoacrylate,CC(C)COC(=O)C(=C)C#N,CC(C)COC(=O)C(=C)C#N,"InChI=1/C8H11NO2/c1-6(2)5-11-8(10)7(3)4-9/h6H,3,5H2,1-2H3",C8H11NO2,,,,,,QRWOVIRDHQJFDB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.693,213-961-8,1069-66-5,Sodium valproate,sodium 2-propylpentanoate,[Na+].CCCC(CCC)C(=O)[O-],[Na+].CCCC(CCC)C(=O)[O-],"InChI=1/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",C8H16O2.Na,,,,,,AEQFSUDEHCCHBT-UHFFFAOYSA-M,,,,,,,,,,,
100.012.699,213-968-6,1070-08-2,"(R)-2,3-bis(hexadecyloxy)propan-1-ol","2,3-bis(hexadecyloxy)propan-1-ol",CCCCCCCCCCCCCCCCOC[C@@H](CO)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC[C@@H](CO)OCCCCCCCCCCCCCCCC,"InChI=1/C35H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3",C35H72O3,,,,,,YQDJMFFVPVZWNK-PGUFJCEWSA-N,,,,,,,,,,,
100.012.703,213-972-8,1070-19-5,tert-butyl azidoformate,tert-butyl azidocarbonate,CC(C)(C)OC(=O)N=[N+]=[N-],CC(C)(C)OC(=O)N=[N+]=[N-],"InChI=1/C5H9N3O2/c1-5(2,3)10-4(9)7-8-6/h1-3H3",C5H9N3O2,,,,,,ISHLCKAQWKBMAU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.708,213-978-0,1070-66-2,2-methylenehexanal,2-methylenehexanal,CCCCC(=C)C=O,CCCCC(=C)C=O,"InChI=1/C7H12O/c1-3-4-5-7(2)6-8/h6H,2-5H2,1H3",C7H12O,,,,,,IWEWQGKFUYQGSN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.715,213-985-9,1071-21-2,Dichloro(2-cyanoethyl)methylsilane,3-[dichloro(methyl)silyl]propanenitrile,C[Si](Cl)(Cl)CCC#N,C[Si](Cl)(Cl)CCC#N,"InChI=1/C4H7Cl2NSi/c1-8(5,6)4-2-3-7/h2,4H2,1H3",C4H7Cl2NSi,,,,,,PXKPPXIGPAIWDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.392,214-730-4,1191-16-8,3-methyl-2-butenyl acetate,3-methylbut-2-en-1-yl acetate,CC(=CCOC(=O)C)C,CC(=CCOC(=O)C)C,"InChI=1/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3",C7H12O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12791,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.392,XXIKYCPRDXIMQM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.393,214-732-5,1191-18-0,Lead succinate,lead(4+) disuccinate,[Pb+2].O=C([O-])CCC([O-])=O,[Pb+2].O=C([O-])CCC([O-])=O,"InChI=1/C4H6O4.Pb.2H/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);;;/q;+4;;/p-2/rC4H6O4.H2Pb/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H2/q;+4/p-2",C4H6O4.Pb,,,,,,CEYLPYBDQDCTPB-UHFFFAOYSA-L,,,,,,,,,,,
100.013.400,214-739-3,1191-67-9,"Decane-1,10-dithiol","decane-1,10-dithiol",SCCCCCCCCCCS,SCCCCCCCCCCS,"InChI=1/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2",C10H22S2,,,,,,UOQACRNTVQWTFF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.402,214-741-4,1191-80-6,Mercury dioleate,mercury dioctadec-9-enoate,[Hg+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Hg+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Hg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Hg,,,,,,PCWIWQHAGMGLFA-CVBJKYQLSA-L,,,,,,,,,,,
100.013.405,214-745-6,1191-95-3,Cyclobutanone,cyclobutanone,O=C1CCC1,O=C1CCC1,InChI=1/C4H6O/c5-4-2-1-3-4/h1-3H2,C4H6O,,,,,,SHQSVMDWKBRBGB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.411,214-751-9,1192-34-3,"1,3-dihydro-4-methyl-2H-imidazol-2-one","4-methyl-1,3-dihydro-2H-imidazol-2-one",CC1=CNC(=O)N1,CC1=CNC(=O)N1,"InChI=1/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)",C4H6N2O,,,,,,MCSCIFLXNFLCDV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.413,214-754-5,1192-52-5,"4,5-dichloro-3H-1,2-dithiol-3-one","4,5-dichloro-3H-1,2-dithiol-3-one",ClC1=C(Cl)C(=O)SS1,ClC1=C(Cl)C(=O)SS1,InChI=1/C3Cl2OS2/c4-1-2(5)7-8-3(1)6,C3Cl2OS2,,,,,,QGSRKGWCQSATCL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.417,214-758-7,1192-63-8,Pyrrolidine-1-carbonyl chloride,pyrrolidine-1-carbonyl chloride,ClC(=O)N1CCCC1,ClC(=O)N1CCCC1,InChI=1/C5H8ClNO/c6-5(8)7-3-1-2-4-7/h1-4H2,C5H8ClNO,,,,,,XACWJIQLDLUFSR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.418,214-759-2,1192-73-0,"(±)-4-methyloxazolidine-2,5-dione","4-methyl-1,3-oxazolidine-2,5-dione",CC1NC(=O)OC1=O,CC1NC(=O)OC1=O,"InChI=1/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)",C4H5NO3,,,,,,DTETYCNJKAUROO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.420,214-761-3,1192-95-6,Hexahydro-1-methyl-1H-azepine,1-methylazepane,CN1CCCCCC1,CN1CCCCCC1,"InChI=1/C7H15N/c1-8-6-4-2-3-5-7-8/h2-7H2,1H3",C7H15N,,,,,,ZKUKXSWKWGHYKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.424,214-766-0,1193-11-9,"2,2,4-trimethyl-1,3-dioxolane","2,2,4-trimethyl-1,3-dioxolane",CC1COC(C)(C)O1,CC1COC(C)(C)O1,"InChI=1/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3",C6H12O2,,,,,,ALTFLAPROMVXNX-UHFFFAOYSA-N,,,,,,,,,,,
100.003.991,204-390-5,120-36-5,Dichlorprop,"2-(2,4-dichlorophenoxy)propanoic acid",CC(Oc1ccc(Cl)cc1Cl)C(=O)O,CC(Oc1ccc(Cl)cc1Cl)C(=O)O,"InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)",C9H8Cl2O3,,,,,,MZHCENGPTKEIGP-UHFFFAOYSA-N,Negative,,,,,,SM839351;EA027051|EA027052|EA027053|EA027054|EA027055|EA027056|EA027057|EA027058|EA027059|EA027060|EA027061|EA027062|EA027063|EA027064,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,160.9566:124.9795:232.9776;160.9569:188.9882|160.9566:232.9776|160.9567|160.9567:124.9794|160.9567:124.9801:89.0033|160.9566:124.9799:89.0033|160.9565:124.9798:89.0033|160.9566:232.9775|160.9566|160.9567:124.9799|160.9565:124.9798|160.9565:124.9799:89.0033|160.9564:124.98:89.0034|160.9568:188.9878,CASMI_2016;Eawag
100.003.995,204-394-7,120-41-2,N-(2-aminoethyl)-N-(2-hydroxyethyl)stearamide,N-(2-aminoethyl)-N-(2-hydroxyethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)N(CCN)CCO,CCCCCCCCCCCCCCCCCC(=O)N(CCN)CCO,"InChI=1/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24(19-18-23)20-21-25/h25H,2-21,23H2,1H3",C22H46N2O2,,,,,,YLWQPJKQVUOINR-UHFFFAOYSA-N,,,,,,,,,,,
100.003.996,204-395-2,120-43-4,Ethyl piperazine-1-carboxylate,ethyl piperazine-1-carboxylate,CCOC(=O)N1CCNCC1,CCOC(=O)N1CCNCC1,"InChI=1/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3",C7H14N2O2,,,,,,LNOQURRKNJKKBU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.997,204-396-8,120-44-5,"4,4'-dimethoxydeoxybenzoin","1,2-bis(4-methoxyphenyl)ethanone",COc1ccc(CC(=O)c2ccc(OC)cc2)cc1,COc1ccc(CC(=O)c2ccc(OC)cc2)cc1,"InChI=1/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3",C16H16O3,,,,,,SICBLYCPRWNHHP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.000,205-499-0,141-76-4,3-iodopropionic acid,3-iodopropanoic acid,OC(=O)CCI,OC(=O)CCI,"InChI=1/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",C3H5IO2,,,,,,KMRNTNDWADEIIX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.001,205-500-4,141-78-6,Ethyl acetate,ethyl acetate,CCOC(=O)C,CCOC(=O)C,"InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",C4H8O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15437,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.001,XEKOWRVHYACXOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.013,205-514-0,141-95-7,Disodium malonate,disodium malonate,[Na+].[Na+].[O-]C(=O)CC(=O)[O-],[Na+].[Na+].[O-]C(=O)CC(=O)[O-],"InChI=1/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2",C3H4O4.2Na,,,,,,PRWXGRGLHYDWPS-UHFFFAOYSA-L,,,,,,,,,,,
100.005.014,205-515-6,141-96-8,Potassium O-sec-butyl dithiocarbonate,potassium O-sec-butyl dithiocarbonate,[K+].CCC(C)OC(=S)[S-],[K+].CCC(C)OC(=S)[S-],"InChI=1/C5H10OS2.K/c1-3-4(2)6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1",C5H10OS2.K,,,,,,UCEWNBKJSLZBOB-UHFFFAOYSA-M,,,,,,,,,,,
100.005.016,205-517-7,141-98-0,O-isopropyl ethylthiocarbamate,O-isopropyl ethylthiocarbamate,CCNC(=S)OC(C)C,CCNC(=S)OC(C)C,"InChI=1/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9)",C6H13NOS,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12732,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.016,KIACEOHPIRTHMI-UHFFFAOYSA-N,,,,,,,,,,,
100.004.694,205-162-8,134-91-8,"4,4'-bis(diethylamino)benzhydryl alcohol",bis[4-(diethylamino)phenyl]methanol,CCN(CC)c1ccc(cc1)C(O)c2ccc(cc2)N(CC)CC,CCN(CC)c1ccc(cc1)C(O)c2ccc(cc2)N(CC)CC,"InChI=1/C21H30N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16,21,24H,5-8H2,1-4H3",C21H30N2O,,,,,,WCIQBUVXZZYFJP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.704,205-173-8,135-09-1,Hydroflumethiazide,"6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F,NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F,"InChI=1/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)",C8H8F3N3O4S2,,,,,,DMDGGSIALPNSEE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.711,205-181-1,135-16-0,"N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid","N-(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid",NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2)N1,NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2)N1,"InChI=1/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)",C19H23N7O6,,,,,,MSTNYGQPCMXVAQ-KIYNQFGBSA-N,,,,,,,,,,,
100.004.713,205-183-2,135-20-6,"N-nitroso-N-phenylhydroxylamine, ammonium salt",ammonium 2-oxo-1-phenylhydrazinolate,[NH4+].[O-]N(N=O)c1ccccc1,[NH4+].[O-]N(N=O)c1ccccc1,InChI=1/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1,C6H6N2O2.H3N,,,,,,GDEBSAWXIHEMNF-UHFFFAOYSA-O,,,,,,,,,,,
100.004.718,205-189-5,135-41-1,"2',5'-diethoxy-4'-nitrobenzanilide","N-(2,5-diethoxy-4-nitrophenyl)benzamide",CCOc1cc(c(OCC)cc1NC(=O)c2ccccc2)[N+](=O)[O-],CCOc1cc(c(OCC)cc1NC(=O)c2ccccc2)[N+](=O)[O-],"InChI=1/C17H18N2O5/c1-3-23-15-11-14(19(21)22)16(24-4-2)10-13(15)18-17(20)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,18,20)",C17H18N2O5,,,,,,BNPJJUAYGVZHHG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.722,205-193-7,135-48-8,Pentacene,pentacene,c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1,c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1,InChI=1/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H,C22H14,,,,,,SLIUAWYAILUBJU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.726,205-197-9,135-52-4,2-[1-(2-hydroxy-5-sulphophenyl)-3-phenyl-5-formazano]benzoic acid,2-(2-{[(2-hydroxy-5-sulfophenyl)diazenyl](phenyl)methylene}hydrazino)benzoic acid,OC(=O)c1ccccc1NN=C(N=Nc2cc(ccc2O)S(=O)(=O)O)c3ccccc3,OC(=O)c1ccccc1NN=C(N=Nc2cc(ccc2O)S(=O)(=O)O)c3ccccc3,"InChI=1/C20H16N4O6S/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27/h1-12,21,25H,(H,26,27)(H,28,29,30)",C20H16N4O6S,,,,,,VSSGEDASAZNGHS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.577,206-133-2,303-04-8,"2,3-dichlorohexafluorobut-2-ene","2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene",ClC(=C(Cl)C(F)(F)F)C(F)(F)F,ClC(=C(Cl)C(F)(F)F)C(F)(F)F,"InChI=1/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12",C4Cl2F6,,,,,,XDIDQEGAKCWQQP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.680,213-947-1,1068-55-9,Chloro(1-methylethyl)magnesium,chloro(isopropyl)magnesium,CC(C)[Mg]Cl,CC(C)[Mg]Cl,"InChI=1/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1/rC3H7ClMg/c1-3(2)5-4/h3H,1-2H3",C3H7ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11948,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.680,GPIBKUJXKCEZOH-UHFFFAOYSA-M,,,,,,,,,,,
100.012.685,213-952-9,1068-90-2,Diethyl acetamidomalonate,diethyl acetamidomalonate,CCOC(=O)C(NC(=O)C)C(=O)OCC,CCOC(=O)C(NC(=O)C)C(=O)OCC,"InChI=1/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)",C9H15NO5,,,,,,ISOLMABRZPQKOV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.687,213-955-5,1069-23-4,"Hexa-1,5-diene-3,4-diol","hexa-1,5-diene-3,4-diol",OC(C=C)C(O)C=C,OC(C=C)C(O)C=C,"InChI=1/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2",C6H10O2,,,,,,KUQWZSZYIQGTHT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.692,213-960-2,1069-58-5,(triethylammonium) maleate,"bis(N,N-diethylethanaminium) but-2-enedioate",CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]C(=O)\\C=C/C(=O)[O-],CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/2C6H15N.C4H4O4/c2*1-4-7(5-2)6-3;5-3(6)1-2-4(7)8/h2*4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C6H15N.C4H4O4,,,,,,PNFDNSSZPUGEPI-KSBRXOFISA-N,,,,,,,,,,,
100.012.697,213-966-5,1070-01-5,Tris(decyl)amine,"N,N-didecyldecan-1-amine",CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC,CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC,"InChI=1/C30H63N/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3",C30H63N,,,,,,COFKFSSWMQHKMD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.700,213-969-1,1070-10-6,Titanium tetrakis(2-ethylhexanolate),titanium tetrakis(2-ethylhexanolate),[Ti+2].[Ti+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-],[Ti+2].[Ti+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-],"InChI=1/4C8H17O.2Ti/c4*1-3-5-6-8(4-2)7-9;;/h4*8H,3-7H2,1-2H3;;/q4*-1;2*+2",C8H18O.1/4Ti,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13770,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.700,ONLUUCDJARZASW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.702,213-971-2,1070-13-9,2-methylenevaleraldehyde,2-methylenepentanal,CCCC(=C)C=O,CCCC(=C)C=O,"InChI=1/C6H10O/c1-3-4-6(2)5-7/h5H,2-4H2,1H3",C6H10O,,,,,,RTTWLTLNKLTUJR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.704,213-973-3,1070-34-4,Ethyl hydrogen succinate,4-ethoxy-4-oxobutanoic acid,CCOC(=O)CCC(=O)O,CCOC(=O)CCC(=O)O,"InChI=1/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)",C6H10O4,,,,,,LOLKAJARZKDJTD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.707,213-977-5,1070-62-8,Ethyl hydrogen glutarate,5-ethoxy-5-oxopentanoic acid,CCOC(=O)CCCC(=O)O,CCOC(=O)CCCC(=O)O,"InChI=1/C7H12O4/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3,(H,8,9)",C7H12O4,,,,,,MYMNBFURSYZQBR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.711,213-981-7,1070-78-6,"1,1,1,3-tetrachloropropane","1,1,1,3-tetrachloropropane",ClCCC(Cl)(Cl)Cl,ClCCC(Cl)(Cl)Cl,"InChI=1/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2",C3H4Cl4,,,,,,UTACNSITJSJFHA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.713,213-983-8,1070-89-9,N-sodiohexamethyldisilazane,"sodium 1,1,1,3,3,3-hexamethyldisilazan-2-ide",C[Si](C)(C)N([Na])[Si](C)(C)C,C[Si](C)(C)N([Na])[Si](C)(C)C,"InChI=1/C6H18NSi2.Na/c1-8(2,3)7-9(4,5)6;/h1-6H3;/q-1;+1/rC6H18NNaSi2/c1-9(2,3)7(8)10(4,5)6/h1-6H3",C6H19NSi2.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11731,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.713,WRIKHQLVHPKCJU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.716,213-986-4,1071-22-3,3-(trichlorosilyl)propiononitrile,3-(trichlorosilyl)propanenitrile,Cl[Si](Cl)(Cl)CCC#N,Cl[Si](Cl)(Cl)CCC#N,"InChI=1/C3H4Cl3NSi/c4-8(5,6)3-1-2-7/h1,3H2",C3H4Cl3NSi,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11104,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.716,OLBGECWYBGXCNV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.719,213-990-6,1071-27-8,4-(trichlorosilyl)butyronitrile,4-(trichlorosilyl)butanenitrile,Cl[Si](Cl)(Cl)CCCC#N,Cl[Si](Cl)(Cl)CCCC#N,"InChI=1/C4H6Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-2,4H2",C4H6Cl3NSi,,,,,,HMFFOEBLYHLRQN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.724,213-995-3,1071-76-7,Zirconium tetrabutanolate,zirconium tetrabutanolate,[Zr+2].[Zr+2].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],[Zr+2].[Zr+2].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/4C4H9O.2Zr/c4*1-2-3-4-5;;/h4*2-4H2,1H3;;/q4*-1;2*+2",C4H10O.1/4Zr,,,,,,GYPDFWDIDKSVKW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.730,214-002-6,1072-15-7,Sodium nonyl sulphate,sodium nonyl sulfate,[Na+].CCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1",C9H20O4S.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10738,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.730,FTWCSAMTIKSPAT-UHFFFAOYSA-M,,,,,,,,,,,
100.012.731,214-003-1,1072-21-5,Adipaldehyde,adipaldehyde,O=CCCCCC=O,O=CCCCCC=O,"InChI=1/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2",C6H10O2,,,,,,UMHJEEQLYBKSAN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.732,214-004-7,1072-24-8,Sodium undecyl sulphate,sodium undecyl sulfate,[Na+].CCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C11H24O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14;/h2-11H2,1H3,(H,12,13,14);/q;+1/p-1",C11H24O4S.Na,,,,,,UOWRKHDWHDWJHK-UHFFFAOYSA-M,,,,,,,,,,,
100.011.298,212-428-7,816-11-5,Methyl 2-ethylbutyrate,methyl 2-ethylbutanoate,CCC(CC)C(=O)OC,CCC(CC)C(=O)OC,"InChI=1/C7H14O2/c1-4-6(5-2)7(8)9-3/h6H,4-5H2,1-3H3",C7H14O2,,,,,,UNEAEGWIVFZPFI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.301,212-431-3,816-40-0,1-bromobutanone,1-bromobutan-2-one,CCC(=O)CBr,CCC(=O)CBr,"InChI=1/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3",C4H7BrO,,,,,,CCXQVBSQUQCEEO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.302,212-432-9,816-41-1,"Sodium dihydrogen propane-1,2,3-triolate","dihydrogen sodium propane-1,2,3-triolate",[Na+].[O-]CC([O-])C[O-],[Na+].[O-]CC([O-])C[O-],"InChI=1/C3H5O3.Na/c4-1-3(6)2-5;/h3H,1-2H2;/q-3;+1",C3H8O3.Na,,,,,,WIDXCVPBLLVKTN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.310,212-441-8,817-01-6,"3,3'-(dodecylimino)bispropane-1,2-diol","3,3'-(dodecylimino)dipropane-1,2-diol",CCCCCCCCCCCCN(CC(O)CO)CC(O)CO,CCCCCCCCCCCCN(CC(O)CO)CC(O)CO,"InChI=1/C18H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19(13-17(22)15-20)14-18(23)16-21/h17-18,20-23H,2-16H2,1H3",C18H39NO4,,,,,,MVKAHJLPJBMCFN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.311,212-442-3,817-09-4,Tris(2-chloroethyl)amine hydrochloride,"2-chloro-N,N-bis(2-chloroethyl)ethanamine hydrochloride",Cl.ClCCN(CCCl)CCCl,Cl.ClCCN(CCCl)CCCl,InChI=1/C6H12Cl3N.ClH/c7-1-4-10(5-2-8)6-3-9;/h1-6H2;1H,C6H12Cl3N.ClH,,,,,,VEAUDLLZYJVHRI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.312,212-443-9,817-46-9,2-propylhexan-1-ol,2-propylhexan-1-ol,CCCCC(CO)CCC,CCCCC(CO)CCC,"InChI=1/C9H20O/c1-3-5-7-9(8-10)6-4-2/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,JSUXZEJWGVYJJG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.110,213-321-8,937-05-3,cis-4-tert-butylcyclohexan-1-ol,4-tert-butylcyclohexanol,CC(C)(C)[C@@H]1CC[C@H](O)CC1,CC(C)(C)[C@@H]1CC[C@H](O)CC1,"InChI=1/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,CCOQPGVQAWPUPE-DTORHVGOSA-N,,,,,,,,,,,
100.012.111,213-322-3,937-14-4,3-chloroperbenzoic acid,3-chlorobenzenecarboperoxoic acid,OOC(=O)c1cccc(Cl)c1,OOC(=O)c1cccc(Cl)c1,"InChI=1/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H",C7H5ClO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6259,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.111,NHQDETIJWKXCTC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.115,213-327-0,937-35-9,"[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol","[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol",Nc1nc(N)nc(NCO)n1,Nc1nc(N)nc(NCO)n1,"InChI=1/C4H8N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h11H,1H2,(H5,5,6,7,8,9,10)",C4H8N6O,,,,,,MBHRHUJRKGNOKX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.137,213-351-1,938-95-4,DL-2-(4-chlorophenyl)propanoic acid,2-(4-chlorophenyl)propanoic acid,CC(C(=O)O)c1ccc(Cl)cc1,CC(C(=O)O)c1ccc(Cl)cc1,"InChI=1/C9H9ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)",C9H9ClO2,,,,,,YOZILQVNIWNPFP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.138,213-352-7,938-96-5,2-(4-hydroxyphenyl)propionic acid,2-(4-hydroxyphenyl)propanoic acid,CC(C(=O)O)c1ccc(O)cc1,CC(C(=O)O)c1ccc(O)cc1,"InChI=1/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)",C9H10O3,,,,,,ZHMMPVANGNPCBW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.142,213-356-9,939-21-9,3-phenylpent-4-enal,3-phenylpent-4-enal,C=CC(CC=O)c1ccccc1,C=CC(CC=O)c1ccccc1,"InChI=1/C11H12O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2",C11H12O,,,,,,XQTAGXUFCZLHIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.148,213-363-7,939-58-2,(E)-o-chlorocinnamic acid,3-(2-chlorophenyl)acrylic acid,OC(=O)\\C=C\\c1ccccc1Cl,OC(=O)\C=C\c1ccccc1Cl,"InChI=1/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)",C9H7ClO2,,,,,,KJRRTHHNKJBVBO-AATRIKPKSA-N,,,,,,,,,,,
100.012.150,213-365-8,939-87-7,trans-2-phenylcyclopropanecarbonyl chloride,2-phenylcyclopropanecarbonyl chloride,ClC(=O)C1CC1c2ccccc2,ClC(=O)C1CC1c2ccccc2,"InChI=1/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2",C10H9ClO,,,,,,SODZBMGDYKEZJG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.152,213-367-9,939-97-9,4-tert-butylbenzaldehyde,4-tert-butylbenzaldehyde,CC(C)(C)c1ccc(C=O)cc1,CC(C)(C)c1ccc(C=O)cc1,"InChI=1/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3",C11H14O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7170,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.152,OTXINXDGSUFPNU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.153,213-368-4,940-10-3,p-methoxyperbenzoic acid,4-methoxybenzenecarboperoxoic acid,COc1ccc(cc1)C(=O)OO,COc1ccc(cc1)C(=O)OO,"InChI=1/C8H8O4/c1-11-7-4-2-6(3-5-7)8(9)12-10/h2-5,10H,1H3",C8H8O4,,,,,,IAPQCQCJCOIPGG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.691,211-758-9,693-72-1,(E)-octadec-11-enoic acid,octadec-11-enoic acid,CCCCCC\\C=C\\CCCCCCCCCC(=O)O,CCCCCC\C=C\CCCCCCCCCC(=O)O,"InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)",C18H34O2,,,,,,UWHZIFQPPBDJPM-BQYQJAHWSA-N,,,,,,,,,,,
100.010.692,211-759-4,693-80-1,Oleyl acetate,octadec-9-en-1-yl acetate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)C,CCCCCCCC\C=C/CCCCCCCCOC(=O)C,"InChI=1/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3",C20H38O2,,,,,,GYGAZRPDUOHMAF-KHPPLWFESA-N,,,,,,,,,,,
100.010.714,211-784-0,695-94-3,2-(2-methyl-2-imidazolin-1-yl)ethanol,"2-(2-methyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CC1=NCCN1CCO,CC1=NCCN1CCO,"InChI=1/C6H12N2O/c1-6-7-2-3-8(6)4-5-9/h9H,2-5H2,1H3",C6H12N2O,,,,,,CDUGROIHQRGVJS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.426,214-768-1,1193-15-3,"Sodium 2,3-epoxypropane-1-sulphonate",sodium oxiran-2-ylmethanesulfonate,[Na+].[O-]S(=O)(=O)CC1CO1,[Na+].[O-]S(=O)(=O)CC1CO1,"InChI=1/C3H6O4S.Na/c4-8(5,6)2-3-1-7-3;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1",C3H6O4S.Na,,,,,,RPCLCTYQNQJEHS-UHFFFAOYSA-M,,,,,,,,,,,
100.013.427,214-769-7,1193-18-6,3-methylcyclohex-2-en-1-one,3-methylcyclohex-2-en-1-one,CC1=CC(=O)CCC1,CC1=CC(=O)CCC1,"InChI=1/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3",C7H10O,,,,,,IITQJMYAYSNIMI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.429,214-771-8,1193-22-2,6-amino-1H-pyrimidin-4-one,6-aminopyrimidin-4(1H)-one,NC1=CC(=O)N=CN1,NC1=CC(=O)N=CN1,"InChI=1/C4H5N3O/c5-3-1-4(8)7-2-6-3/h1-2H,(H3,5,6,7,8)",C4H5N3O,,,,,,HFMLLTVIMFEQRE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.440,214-783-3,1194-00-9,Tetrahydro-2-isocyanato-2H-pyran,2-isocyanatotetrahydro-2H-pyran,O=C=NC1CCCCO1,O=C=NC1CCCCO1,"InChI=1/C6H9NO2/c8-5-7-6-3-1-2-4-9-6/h6H,1-4H2",C6H9NO2,,,,,,VXVWIRKAABQIGS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.123,211-134-6,630-19-3,Pivalaldehyde,pivalaldehyde,CC(C)(C)C=O,CC(C)(C)C=O,"InChI=1/C5H10O/c1-5(2,3)4-6/h4H,1-3H3",C5H10O,,,,,,FJJYHTVHBVXEEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.126,211-137-2,630-55-7,Methenamine camphorate,"1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid - methanimine (1:1)",CC1(C)C(CCC1(C)C(=O)O)C(=O)O.C=N,CC1(C)C(CCC1(C)C(=O)O)C(=O)O.C=N,"InChI=1/C10H16O4.CH3N/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14;1-2/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14);2H,1H2",C10H16O4.2C6H12N4,,,,,,BBEZFDHFOJUPPS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.136,211-148-2,630-93-3,Phenytoin sodium,"sodium 2-hydroxy-4,4-diphenyl-4H-imidazol-5-olate",[Na+].[O-]/C2=NC(\\O)=N/C2(c1ccccc1)c3ccccc3,[Na+].[O-]/C2=NC(\O)=N/C2(c1ccccc1)c3ccccc3,"InChI=1/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1",C15H12N2O2.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18665,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.136,FJPYVLNWWICYDW-UHFFFAOYSA-M,,,,,,,,,,,
100.010.137,211-149-8,631-01-6,"(3ß,4a,16a)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid","3,16-dihydroxy-23-oxoolean-12-en-28-oic acid",CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,"InChI=1/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)",C30H46O5,,,,,,MQUFAARYGOUYEV-UAWZMHPWSA-N,,,,,,,,,,,
100.010.140,211-152-4,631-28-7,"1,2,3-tribromo-2-methylpropane","1,2,3-tribromo-2-methylpropane",CC(Br)(CBr)CBr,CC(Br)(CBr)CBr,"InChI=1/C4H7Br3/c1-4(7,2-5)3-6/h2-3H2,1H3",C4H7Br3,,,,,,OIRQLILPXCJMIY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.149,211-162-9,631-61-8,Ammonium acetate,ammonium acetate,[NH4+].CC(=O)[O-],[NH4+].CC(=O)[O-],"InChI=1/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3",C2H4O2.H3N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16046,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.149,USFZMSVCRYTOJT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.150,211-163-4,631-62-9,Diuronium oxalate,bis[amino(hydroxy)methaniminium] oxalate,NC(=[NH2+])O.NC(=[NH2+])O.[O-]C(=O)C(=O)[O-],NC(=[NH2+])O.NC(=[NH2+])O.[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.2CH4N2O/c3-1(4)2(5)6;2*2-1(3)4/h(H,3,4)(H,5,6);2*(H4,2,3,4)",C2H2O4.2CH4N2O,,,,,,FHNVHAXLRLSCAN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.153,211-167-6,632-00-8,Sulfasomizole,4-amino-N-(3-methylisothiazol-5-yl)benzenesulfonamide,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)sn1,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)sn1,"InChI=1/C10H11N3O2S2/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3",C10H11N3O2S2,,,,,,JVYKJZPZFIUYAB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.156,211-170-2,632-16-6,"2,3-dimethylthiophene","2,3-dimethylthiophene",Cc1ccsc1C,Cc1ccsc1C,"InChI=1/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3",C6H8S,,,,,,BZYUMXXOAYSFOW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.158,211-172-3,632-21-3,"1,1,3,3-tetrachloroacetone","1,1,3,3-tetrachloroacetone",ClC(Cl)C(=O)C(Cl)Cl,ClC(Cl)C(=O)C(Cl)Cl,InChI=1/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H,C3H2Cl4O,,,,,,DJWVKJAGMVZYFP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.163,211-178-6,632-47-3,Bulbocapnine hydrochloride,"11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol hydrochloride",Cl.COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)c2c1O,Cl.COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)c2c1O,"InChI=1/C19H19NO4.ClH/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17;/h3-4,8,12,21H,5-7,9H2,1-2H3;1H",C19H19NO4.ClH,,,,,,SRGIVPUDHITDMK-YDALLXLXSA-N,,,,,,,,,,,
100.010.166,211-181-2,632-58-6,Tetrachlorophthalic acid,"3,4,5,6-tetrachlorophthalic acid",OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,"InChI=1/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)",C8H2Cl4O4,,,,,,WZHHYIOUKQNLQM-UHFFFAOYSA-N,Negative,,,,,,EQ305351|EQ305352|EQ305353,[M-H]-,HCD15|HCD30|HCD45,212.8837:256.8737|212.8838:256.8735|212.8838,Eawag
100.010.169,211-184-9,632-77-9,"1,2,5,6-tetrahydroxyanthraquinone","1,2,5,6-tetrahydroxy-9,10-anthraquinone",Oc1ccc2C(=O)c3c(O)c(O)ccc3C(=O)c2c1O,Oc1ccc2C(=O)c3c(O)c(O)ccc3C(=O)c2c1O,"InChI=1/C14H8O6/c15-7-3-1-5-9(13(7)19)12(18)6-2-4-8(16)14(20)10(6)11(5)17/h1-4,15-16,19-20H",C14H8O6,,,,,,UIAOMKQPMHYQTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.734,205-207-1,135-63-7,5'-chloro-3-hydroxy-2'-methyl-2-naphthanilide,N-(5-chloro-2-methylphenyl)-3-hydroxy-2-naphthamide,Cc1ccc(Cl)cc1NC(=O)c2cc3ccccc3cc2O,Cc1ccc(Cl)cc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)",C18H14ClNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11382,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.734,XZOACPDZZYNJER-UHFFFAOYSA-N,,,,,,,,,,,
100.004.737,205-210-8,135-67-1,Phenoxazine,10H-phenoxazine,N1c2ccccc2Oc3ccccc13,N1c2ccccc2Oc3ccccc13,"InChI=1/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H",C12H9NO,,,,,,TZMSYXZUNZXBOL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.740,205-213-4,135-70-6,p-quaterphenyl,"1,1':4',1'':4'',1'''-quaterphenyl",c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccccc4,c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccccc4,InChI=1/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,C24H18,,,,,,GPRIERYVMZVKTC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.394,204-832-7,127-25-3,Methyl abietate,"methyl abieta-7,13-dien-18-oate",COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C,COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C,"InChI=1/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3",C21H32O2,,,,,,OVXRPXGVKBHGQO-UYWIDEMCSA-N,,,,,,,,,,,
100.004.396,204-834-8,127-33-3,Demeclocycline,"7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,"InChI=1/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)",C21H21ClN2O8,,,,,,FMTDIUIBLCQGJB-SEYHBJAFSA-N,,,,,,,,,,,
100.004.398,204-836-9,127-36-6,"1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol",abiet-8(14)-en-18-ol,CC(C)C1CCC2C(=C1)CCC3C(C)(CO)CCCC23C,CC(C)C1CCC2C(=C1)CCC3C(C)(CO)CCCC23C,"InChI=1/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3",C20H34O,,,,,,FLMIYUXOBAUKJM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.403,204-842-1,127-42-4,"[R-(E)]-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one","1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one",CCC(=O)C=CC1C(=CCCC1(C)C)C,CCC(=O)C=CC1C(=CCCC1(C)C)C,"InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3",C14H22O,,,,,,VPKMGDRERYMTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.407,204-846-3,127-51-5,"3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one","3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",C\\C1=C\\CCC(C)(C)C1C=C(C)C(C)=O,C\C1=C\CCC(C)(C)C1C=C(C)C(C)=O,"InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3",C14H22O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18602,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.407,JRJBVWJSTHECJK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.410,204-850-5,127-57-1,Sulfapyridine sodium,sodium [(4-aminophenyl)sulfonyl](pyridin-2-yl)azanide,[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c2ccccn2,[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c2ccccn2,"InChI=1/C11H10N3O2S.Na/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;/h1-8H,12H2;/q-1;+1",C11H11N3O2S.Na,,,,,,DAINBAXHBFSNCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.411,204-851-0,127-58-2,Sulfamerazine sodium,sodium [(4-aminophenyl)sulfonyl](4-methylpyrimidin-2-yl)azanide,[Na+].O=S(=O)([N-]c1nc(C)ccn1)c2ccc(N)cc2,[Na+].O=S(=O)([N-]c1nc(C)ccn1)c2ccc(N)cc2,"InChI=1/C11H11N4O2S.Na/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1",C11H12N4O2S.Na,,,,,,BSFJGCCAXDCMOX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.415,204-855-2,127-66-2,2-phenylbut-3-yn-2-ol,2-phenylbut-3-yn-2-ol,CC(O)(C#C)c1ccccc1,CC(O)(C#C)c1ccccc1,"InChI=1/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3",C10H10O,,,,,,KSLSOBUAIFEGLT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.425,204-866-2,127-79-7,Sulfamerazine,4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,"InChI=1/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",C11H12N4O2S,,,,,,QPPBRPIAZZHUNT-UHFFFAOYSA-N,Positive,mzcloud:2210,[M+H]+,HCD_Averaged,65.0386:68.04948:80.04948:92.04947:108.0444:110.0713:156.01137:190.02818:199.09783:172.01752:174.02193,HighChem,,,,,
100.004.427,204-868-3,127-83-3,Calcium bis(4-hydroxybenzenesulphonate),calcium bis(4-hydroxybenzenesulfonate),[Ca+2].Oc1ccc(cc1)S(=O)(=O)[O-].Oc2ccc(cc2)S(=O)(=O)[O-],[Ca+2].Oc1ccc(cc1)S(=O)(=O)[O-].Oc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C6H6O4S.Ca/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2",C6H6O4S.1/2Ca,,,,,,JVEDXKIOAFPPPG-UHFFFAOYSA-L,,,,,,,,,,,
100.004.428,204-869-9,127-85-5,Sodium hydrogen 4-aminophenylarsonate,sodium hydrogen (4-aminophenyl)arsonate,[Na+].Nc1ccc(cc1)[As](=O)([O-])[O-],[Na+].Nc1ccc(cc1)[As](=O)([O-])[O-],"InChI=1/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);/q;+1/p-2",C6H8AsNO3.Na,,,,,,OUFRIWNNMFWZTM-UHFFFAOYSA-L,,,,,,,,,,,
100.004.433,204-875-1,128-03-0,Potassium dimethyldithiocarbamate,potassium dimethyldithiocarbamate,[K+].CN(C)C(=S)[S-],[K+].CN(C)C(=S)[S-],"InChI=1/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1",C3H7NS2.K,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10312,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.433,TVPFLPJBESCUKI-UHFFFAOYSA-M,,,,,,,,,,,
100.013.398,214-737-2,1191-50-0,Sodium tetradecyl sulphate,sodium tetradecyl sulfate,[Na+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",C14H30O4S.Na,,,,,,UPUIQOIQVMNQAP-UHFFFAOYSA-M,,,,,,,,,,,
100.013.399,214-738-8,1191-62-4,"Octane-1,8-dithiol","octane-1,8-dithiol",SCCCCCCCCS,SCCCCCCCCS,"InChI=1/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2",C8H18S2,,,,,,PGTWZHXOSWQKCY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.403,214-743-5,1191-87-3,"2,5,8,11,14,17-hexaoxaoctadecane","2,5,8,11,14,17-hexaoxaoctadecane",COCCOCCOCCOCCOCCOC,COCCOCCOCCOCCOCCOC,"InChI=1/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3",C12H26O6,,,,,,DMDPGPKXQDIQQG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.406,214-746-1,1191-96-4,Ethylcyclopropane,ethylcyclopropane,CCC1CC1,CCC1CC1,"InChI=1/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3",C5H10,,,,,,FOTXAJDDGPYIFU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.412,214-752-4,1192-37-6,Methylenecyclohexane,methylenecyclohexane,C=C1CCCCC1,C=C1CCCCC1,InChI=1/C7H12/c1-7-5-3-2-4-6-7/h1-6H2,C7H12,,,,,,YULMNMJFAZWLLN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.422,214-763-4,1193-02-8,4-aminobenzenethiol,4-aminobenzenethiol,Nc1ccc(S)cc1,Nc1ccc(S)cc1,"InChI=1/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2",C6H7NS,,,,,,WCDSVWRUXWCYFN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.425,214-767-6,1193-12-0,"3,3-dimethylpiperidine","3,3-dimethylpiperidine",CC1(C)CCCNC1,CC1(C)CCCNC1,"InChI=1/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3",C7H15N,,,,,,CDODDZJCEADUQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.430,214-772-3,1193-24-4,6-hydroxy-1H-pyrimidin-4-one,"pyrimidine-4,6-diol",Oc1cc(O)ncn1,Oc1cc(O)ncn1,"InChI=1/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)",C4H4N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5164,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.430,DUFGYCAXVIUXIP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.431,214-773-9,1193-55-1,"2-methylcyclohexane-1,3-dione","2-methylcyclohexane-1,3-dione",CC1C(=O)CCCC1=O,CC1C(=O)CCCC1=O,"InChI=1/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3",C7H10O2,,,,,,VSGJHHIAMHUZKF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.437,214-780-7,1193-81-3,1-cyclohexylethanol,1-cyclohexylethanol,CC(O)C1CCCCC1,CC(O)C1CCCCC1,"InChI=1/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3",C8H16O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17322,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.437,JMSUNAQVHOHLMX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.439,214-782-8,1193-92-6,Nicotinaldehyde oxime,nicotinaldehyde oxime,O\\N=C\\c1cccnc1,O\N=C\c1cccnc1,"InChI=1/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H",C6H6N2O,,,,,,YBKOPFQCLSPTPV-VMPITWQZSA-N,,,,,,,,,,,
100.013.444,214-788-0,1194-86-1,D-(-)-3-thienylglycine,N-3-thienylglycine,OC(=O)CNc1ccsc1,OC(=O)CNc1ccsc1,"InChI=1/C6H7NO2S/c8-6(9)3-7-5-1-2-10-4-5/h1-2,4,7H,3H2,(H,8,9)",C6H7NO2S,,,,,,VJQOUHZVZWHSNW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.124,211-135-1,630-20-6,"1,1,1,2-tetrachloroethane","1,1,1,2-tetrachloroethane",ClCC(Cl)(Cl)Cl,ClCC(Cl)(Cl)Cl,"InChI=1/C2H2Cl4/c3-1-2(4,5)6/h1H2",C2H2Cl4,,,,,,QVLAWKAXOMEXPM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.125,211-136-7,630-25-1,"1,2-dibromotetrachloroethane","1,2-dibromo-1,1,2,2-tetrachloroethane",ClC(Cl)(Br)C(Cl)(Cl)Br,ClC(Cl)(Br)C(Cl)(Cl)Br,"InChI=1/C2Br2Cl4/c3-1(5,6)2(4,7)8",C2Br2Cl4,,,,,,WJUKOGPNGRUXMG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.129,211-140-9,630-64-8,"(3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide","3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide",CC1OC(CC(O)C1O)OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6,CC1OC(CC(O)C1O)OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6,"InChI=1/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3",C29H42O9,,,,,,QBILRDAMJUPXCX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.131,211-143-5,630-70-6,Iodotrinitromethane,iodo(trinitro)methane,[O-][N+](=O)C(I)([N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C(I)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/CIN3O6/c2-1(3(6)7,4(8)9)5(10)11",CIN3O6,,,,,,PVYWOZWHSJHJFC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.132,211-144-0,630-76-2,Tetraphenylmethane,"1,1',1'',1'''-methanetetrayltetrabenzene",c1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C25H20,,,,,,PEQHIRFAKIASBK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.138,211-150-3,631-07-2,5-ethyl-5-phenylhydantoin,"5-ethyl-5-phenylimidazolidine-2,4-dione",CCC1(NC(=O)NC1=O)c2ccccc2,CCC1(NC(=O)NC1=O)c2ccccc2,"InChI=1/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)",C11H12N2O2,,,,,,UDTWZFJEMMUFLC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.139,211-151-9,631-22-1,Diethyl dibromomalonate,diethyl dibromomalonate,CCOC(=O)C(Br)(Br)C(=O)OCC,CCOC(=O)C(Br)(Br)C(=O)OCC,"InChI=1/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3",C7H10Br2O4,,,,,,PFZYFZRUPFUEOB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.716,211-786-1,695-98-7,"2,3,5-trimethylpyridine","2,3,5-trimethylpyridine",Cc1cnc(C)c(C)c1,Cc1cnc(C)c(C)c1,"InChI=1/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3",C8H11N,,,,,,GFYHSKONPJXCDE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.717,211-787-7,696-04-8,"5,6-dihydro-5-methyluracil","5-methyldihydropyrimidine-2,4(1H,3H)-dione",CC1CNC(=O)NC1=O,CC1CNC(=O)NC1=O,"InChI=1/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)",C5H8N2O2,,,,,,NBAKTGXDIBVZOO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.718,211-788-2,696-07-1,5-iodouracil,"5-iodopyrimidine-2,4(1H,3H)-dione",IC1=CNC(=O)NC1=O,IC1=CNC(=O)NC1=O,"InChI=1/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",C4H3IN2O2,,,,,,KSNXJLQDQOIRIP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.723,211-794-5,696-30-0,4-isopropylpyridine,4-isopropylpyridine,CC(C)c1ccncc1,CC(C)c1ccncc1,"InChI=1/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3",C8H11N,,,,,,FRGXNJWEDDQLFH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.725,211-796-6,696-54-8,Isonicotinaldehyde oxime,isonicotinaldehyde oxime,O\\N=C\\c1ccncc1,O\N=C\c1ccncc1,"InChI=1/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H",C6H6N2O,,,,,,OFYLBLSSPQTTHT-VMPITWQZSA-N,,,,,,,,,,,
100.010.733,211-804-8,697-17-6,"1,1,2-trichloro-2,3,3-trifluorocyclobutane","1,1,2-trichloro-2,3,3-trifluorocyclobutane",FC1(F)CC(Cl)(Cl)C1(F)Cl,FC1(F)CC(Cl)(Cl)C1(F)Cl,"InChI=1/C4H2Cl3F3/c5-2(6)1-3(8,9)4(2,7)10/h1H2",C4H2Cl3F3,,,,,,YMUQFZZNJWUHMC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.740,211-812-1,698-26-0,5-chloro-1H-indazole,5-chloro-2H-indazole,Clc1ccc2n[nH]cc2c1,Clc1ccc2n[nH]cc2c1,"InChI=1/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)",C7H5ClN2,,,,,,FVNCILPDWNBPLK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.543,211-595-3,672-66-2,Dimethylphenylphosphine,dimethyl(phenyl)phosphine,CP(C)c1ccccc1,CP(C)c1ccccc1,"InChI=1/C8H11P/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11P,,,,,,HASCQPSFPAKVEK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.546,211-599-5,672-87-7,Metirosine,alpha-methyltyrosine,CC(N)(Cc1ccc(O)cc1)C(=O)O,CC(N)(Cc1ccc(O)cc1)C(=O)O,"InChI=1/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)",C10H13NO3,,,,,,NHTGHBARYWONDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.550,211-604-0,673-22-3,4-methoxysalicylaldehyde,2-hydroxy-4-methoxybenzaldehyde,COc1ccc(C=O)c(O)c1,COc1ccc(C=O)c(O)c1,"InChI=1/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3",C8H8O3,,,,,,WZUODJNEIXSNEU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.554,211-608-2,673-40-5,p-bromobenzenediazonium tetrafluoroborate,4-bromobenzenediazonium tetrafluoroborate,F[B-](F)(F)F.Brc1ccc(cc1)[N+]#N,F[B-](F)(F)F.Brc1ccc(cc1)[N+]#N,"InChI=1/C6H4BrN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1",C6H4BrN2.BF4,,,,,,FXTCQUCYDJZGGU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.565,211-620-8,675-14-9,"2,4,6-trifluoro-1,3,5-triazine","2,4,6-trifluoro-1,3,5-triazine",Fc1nc(F)nc(F)n1,Fc1nc(F)nc(F)n1,InChI=1/C3F3N3/c4-1-7-2(5)9-3(6)8-1,C3F3N3,,,,,,VMKJWLXVLHBJNK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.567,211-622-9,675-20-7,2-piperidone,piperidin-2-one,O=C1CCCCN1,O=C1CCCCN1,"InChI=1/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)",C5H9NO,,,,,,XUWHAWMETYGRKB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.577,211-633-9,676-96-0,Trimethylphosphine oxide,trimethylphosphine oxide,CP(=O)(C)C,CP(=O)(C)C,"InChI=1/C3H9OP/c1-5(2,3)4/h1-3H3",C3H9OP,,,,,,LRMLWYXJORUTBG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.583,211-640-7,677-25-8,Ethylenesulphonyl fluoride,ethenesulfonyl fluoride,FS(=O)(=O)C=C,FS(=O)(=O)C=C,"InChI=1/C2H3FO2S/c1-2-6(3,4)5/h2H,1H2",C2H3FO2S,,,,,,BYPHZHGVWNKAFC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.321,212-453-3,818-58-6,Methyl pent-3-enoate,methyl pent-3-enoate,CC=CCC(=O)OC,CC=CCC(=O)OC,"InChI=1/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3",C6H10O2,,,,,,KJALUUCEMMPKAC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.324,212-457-5,818-81-5,2-methyloctan-1-ol,2-methyloctan-1-ol,CCCCCCC(C)CO,CCCCCCC(C)CO,"InChI=1/C9H20O/c1-3-4-5-6-7-9(2)8-10/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,IGVGCQGTEINVOH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.327,212-460-1,819-17-0,Calcium methanedisulphonate (1:1),calcium methanedisulfonate,[CaH2].[O-]S(=O)(=O)CS(=O)(=O)[O-],[CaH2].[O-]S(=O)(=O)CS(=O)(=O)[O-],"InChI=1/CH4O6S2.Ca.2H/c2-8(3,4)1-9(5,6)7;;;/h1H2,(H,2,3,4)(H,5,6,7);;;/q;+2;;/p-2/rCH4O6S2.CaH2/c2-8(3,4)1-9(5,6)7;/h1H2,(H,2,3,4)(H,5,6,7);1H2/q;+2/p-2",CH4O6S2.Ca,,,,,,HDXLSGSPZFMVTD-UHFFFAOYSA-L,,,,,,,,,,,
100.011.333,212-466-4,820-10-0,DL-methionine S-dioxide,2-amino-4-(methylsulfonyl)butanoic acid,CS(=O)(=O)CCC(N)C(=O)O,CS(=O)(=O)CCC(N)C(=O)O,"InChI=1/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO4S,,,,,,UCUNFLYVYCGDHP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.337,212-471-1,820-71-3,2-methylallyl acetate,2-methylprop-2-en-1-yl acetate,CC(=C)COC(=O)C,CC(=C)COC(=O)C,"InChI=1/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3",C6H10O2,,,,,,IVKYUXHYUAMPMT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.780,212-957-3,887-15-0,"2,2-diphenyltetrahydrofuran","2,2-diphenyltetrahydrofuran",C1COC(C1)(c2ccccc2)c3ccccc3,C1COC(C1)(c2ccccc2)c3ccccc3,"InChI=1/C16H16O/c1-3-8-14(9-4-1)16(12-7-13-17-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2",C16H16O,,,,,,ONRSPOWNRLCCGF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.786,212-964-1,890-38-0,2'-deoxyinosine,9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol,OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c(O)ncnc23,OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c(O)ncnc23,"InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)",C10H12N4O4,,,,,,VGONTNSXDCQUGY-RRKCRQDMSA-N,,,,,,,,,,,
100.011.790,212-968-3,892-49-9,"9-ß-D-arabinofuranosyl-1,9-dihydro-6H-purine-6-thione","9-beta-D-arabinofuranosyl-1,9-dihydro-6H-purine-6-thione",OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3C(=S)NC=Nc23,OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3C(=S)NC=Nc23,"InChI=1/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)",C10H12N4O4S,,,,,,NKGPJODWTZCHGF-UHTZMRCNSA-N,,,,,,,,,,,
100.011.791,212-969-9,893-01-6,Tenylidone,"2,6-bis(2-thienylmethylene)cyclohexanone",O=C2C(CCCC2=Cc1cccs1)=Cc3cccs3,O=C2C(CCCC2=Cc1cccs1)=Cc3cccs3,"InChI=1/C16H14OS2/c17-16-12(10-14-6-2-8-18-14)4-1-5-13(16)11-15-7-3-9-19-15/h2-3,6-11H,1,4-5H2",C16H14OS2,,,,,,KHXBULXCCPIELT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.795,212-974-6,894-86-0,"Disodium [2,2'-bi-1H-indole]-3,3'-diolate","disodium 2,2'-biindole-3,3'-diolate",[Na+].[Na+].[O-]C1=C2C=CC=CC2=NC1=C3N=C4C=CC=CC4=C3[O-],[Na+].[Na+].[O-]C1=C2C=CC=CC2=NC1=C3N=C4C=CC=CC4=C3[O-],"InChI=1/C16H10N2O2.2Na/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14;;/h1-8,19-20H;;/q;2*+1/p-2",C16H12N2O2.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12035,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.795,BXCVMYVBSBSDGY-UHFFFAOYSA-L,,,,,,,,,,,
100.011.796,212-975-1,894-93-9,1-[[(2-hydroxyphenyl)imino]methyl]-2-naphthol,1-{[(2-hydroxyphenyl)imino]methyl}-2-naphthol,Oc3ccccc3N=Cc1c2ccccc2ccc1O,Oc3ccccc3N=Cc1c2ccccc2ccc1O,"InChI=1/C17H13NO2/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20/h1-11,19-20H",C17H13NO2,,,,,,FMIVOPRNBGRDKP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.797,212-976-7,896-29-7,Dihydroxytriphenylantimony,dihydroxy(triphenyl)stiborane,O[Sb](O)(c1ccccc1)(c2ccccc2)c3ccccc3,O[Sb](O)(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.2H2O.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H2;/q;;;;;+2/p-2/rC18H17O2Sb/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19-20H",C18H17O2Sb,,,,,,HHIOPTIWLTZAEF-UHFFFAOYSA-L,,,,,,,,,,,
100.011.805,212-985-6,901-44-0,"2,2'-isopropylidenebis(p-phenyleneoxy)diethanol","2,2'-[propane-2,2-diylbis(4,1-phenyleneoxy)]diethanol",CC(C)(c1ccc(OCCO)cc1)c2ccc(OCCO)cc2,CC(C)(c1ccc(OCCO)cc1)c2ccc(OCCO)cc2,"InChI=1/C19H24O4/c1-19(2,15-3-7-17(8-4-15)22-13-11-20)16-5-9-18(10-6-16)23-14-12-21/h3-10,20-21H,11-14H2,1-2H3",C19H24O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1244,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.805,UUAGPGQUHZVJBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.807,212-987-7,901-79-1,"Trisodium 8-aminonaphthalene-1,3,6-trisulphonate","trisodium 8-aminonaphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].Nc1cc(cc2cc(cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1cc(cc2cc(cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO9S3.3Na/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3",C10H9NO9S3.3Na,,,,,,VSPFLROIRRUCBX-UHFFFAOYSA-K,,,,,,,,,,,
100.011.809,212-989-8,902-83-0,2-(diethylamino)ethyl chlorodiphenylacetate hydrochloride,2-(diethylamino)ethyl chloro(diphenyl)acetate hydrochloride,Cl.CCN(CC)CCOC(=O)C(Cl)(c1ccccc1)c2ccccc2,Cl.CCN(CC)CCOC(=O)C(Cl)(c1ccccc1)c2ccccc2,"InChI=1/C20H24ClNO2.ClH/c1-3-22(4-2)15-16-24-19(23)20(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,3-4,15-16H2,1-2H3;1H",C20H24ClNO2.ClH,,,,,,UFSBFMDTWVPCIA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.817,212-998-7,906-65-0,2-(triphenylphosphoranylidene)succinic anhydride,"3-(triphenylphosphoranylidene)dihydrofuran-2,5-dione",O=C1CC(=P(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)O1,O=C1CC(=P(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)O1,"InChI=1/C22H17O3P/c23-21-16-20(22(24)25-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2",C22H17O3P,,,,,,CXYNGWAHZKOMJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.821,213-002-3,909-64-8,3-ethyl-2-[2-[(3-ethyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]benzoselenazolium iodide,"3-ethyl-2-{2-[(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzoselenazol-3-ium iodide",[I-].CC[n+]3c4ccccc4[se]c3C=C(CC)C=C2[Se]c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4[se]c3C=C(CC)C=C2[Se]c1ccccc1N2CC,-,C23H25N2Se2.I,,,,,,WCRYPFFHXCHMGO-UHFFFAOYSA-M,,,,,,,,,,,
100.011.822,213-003-9,909-84-2,"6,7-bis(phenylmethoxy)-2-benzopyrone","6,7-bis(benzyloxy)-2H-chromen-2-one",O=C1Oc2cc(OCc3ccccc3)c(OCc4ccccc4)cc2C=C1,O=C1Oc2cc(OCc3ccccc3)c(OCc4ccccc4)cc2C=C1,"InChI=1/C23H18O4/c24-23-12-11-19-13-21(25-15-17-7-3-1-4-8-17)22(14-20(19)27-23)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2",C23H18O4,,,,,,GTUPSBQDBMSQTH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.734,214-006-8,1072-40-8,"2,5,8,11,14,17,20-heptaoxahenicosane","2,5,8,11,14,17,20-heptaoxahenicosane",COCCOCCOCCOCCOCCOCCOC,COCCOCCOCCOCCOCCOCCOC,"InChI=1/C14H30O7/c1-15-3-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-4-16-2/h3-14H2,1-2H3",C14H30O7,,,,,,VMCIKMLQXFLKAX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.736,214-008-9,1072-47-5,"4-methyl-1,3-dioxolane","4-methyl-1,3-dioxolane",CC1COCO1,CC1COCO1,"InChI=1/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3",C4H8O2,,,,,,SBUOHGKIOVRDKY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.436,204-878-8,128-09-6,N-chlorosuccinimide,"1-chloropyrrolidine-2,5-dione",ClN1C(=O)CCC1=O,ClN1C(=O)CCC1=O,InChI=1/C4H4ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H2,C4H4ClNO2,,,,,,JRNVZBWKYDBUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.439,204-881-4,128-37-0,"2,6-di-tert-butyl-p-cresol","2,6-di-tert-butyl-4-methylphenol",Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3",C15H24O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15975,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.439,NLZUEZXRPGMBCV-UHFFFAOYSA-N,,,,,,,,,,,
100.004.442,204-885-6,128-42-7,"4,4'-dinitrostilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis(5-nitrobenzenesulfonic acid)",OS(=O)(=O)c1cc(ccc1\\C=C\\c2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],OS(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)",C14H10N2O10S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12678,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.442,UETHPMGVZHBAFB-OWOJBTEDSA-N,,,,,,,,,,,
100.004.445,204-888-2,128-46-1,Dihydrostreptomycin,"N,N'''-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine",CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO,"InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",C21H41N7O12,,,,,,ASXBYYWOLISCLQ-HZYVHMACSA-N,,,,,,,,,,,
100.004.447,204-890-3,128-50-7,Nopol,"2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethanol",CC1(C)C2CC=C(CCO)C1C2,CC1(C)C2CC=C(CCO)C1C2,"InChI=1/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3",C11H18O,,,,,,ROKSAUSPJGWCSM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.461,204-905-3,128-69-8,"Perylene-3,4:9,10-tetracarboxylic dianhydride","isochromeno[4',5',6':6,5,10]anthra[2,1,9-def]isochromene-1,3,8,10-tetrone",O=C1OC(=O)c2ccc3c4ccc5C(=O)OC(=O)c6ccc(c7ccc1c2c37)c4c56,O=C1OC(=O)c2ccc3c4ccc5C(=O)OC(=O)c6ccc(c7ccc1c2c37)c4c56,InChI=1/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H,C24H8O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11837,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.461,CLYVDMAATCIVBF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.462,204-906-9,128-70-1,"Pyranthrene-8,16-dione","pyranthrene-8,16-dione",O=C1c2ccccc2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc1c3c8c4c57,O=C1c2ccccc2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc1c3c8c4c57,InChI=1/C30H14O2/c31-29-19-7-3-1-5-17(19)23-13-15-9-12-22-28-24(18-6-2-4-8-20(18)30(22)32)14-16-10-11-21(29)27(23)25(16)26(15)28/h1-14H,C30H14O2,,,,,,LLBIOIRWAYBCKK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.467,204-912-1,128-85-8,1-(methylamino)-4-[(4-methylphenyl)amino]anthraquinone,"1-(methylamino)-4-[(4-methylphenyl)amino]-9,10-anthraquinone",CNc1ccc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c13,CNc1ccc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H18N2O2/c1-13-7-9-14(10-8-13)24-18-12-11-17(23-2)19-20(18)22(26)16-6-4-3-5-15(16)21(19)25/h3-12,23-24H,1-2H3",C22H18N2O2,,,,,,ITYXXSSJBOAGAR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.469,204-914-2,128-87-0,"4,4'-diamino-1,1'-iminodianthraquinone","1,1'-iminobis(4-amino-9,10-anthraquinone)",Nc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c5C(=O)c6ccccc6C(=O)c15,Nc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c5C(=O)c6ccccc6C(=O)c15,"InChI=1/C28H17N3O4/c29-17-9-11-19(23-21(17)25(32)13-5-1-3-7-15(13)27(23)34)31-20-12-10-18(30)22-24(20)28(35)16-8-4-2-6-14(16)26(22)33/h1-12,31H,29-30H2",C28H17N3O4,,,,,,BYONEXGJEYSLBO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.470,204-915-8,128-88-1,"1,1'-iminobis(4-nitroanthraquinone)","1,1'-iminobis(4-nitro-9,10-anthraquinone)",[O-][N+](=O)c1ccc(Nc2ccc(c3C(=O)c4ccccc4C(=O)c23)[N+](=O)[O-])c5C(=O)c6ccccc6C(=O)c15,[O-][N+](=O)c1ccc(Nc2ccc(c3C(=O)c4ccccc4C(=O)c23)[N+](=O)[O-])c5C(=O)c6ccccc6C(=O)c15,"InChI=1/C28H13N3O8/c32-25-13-5-1-3-7-15(13)27(34)23-19(30(36)37)11-9-17(21(23)25)29-18-10-12-20(31(38)39)24-22(18)26(33)14-6-2-4-8-16(14)28(24)35/h1-12,29H",C28H13N3O8,,,,,,NCGPNEIWMXIRRC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.471,204-916-3,128-89-2,"4,5'-dibenzamido-1,1'-iminodianthraquinone","N-(4-{[5-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",O=C(Nc1cccc2C(=O)c3c(Nc4ccc(NC(=O)c5ccccc5)c6C(=O)c7ccccc7C(=O)c46)cccc3C(=O)c12)c8ccccc8,O=C(Nc1cccc2C(=O)c3c(Nc4ccc(NC(=O)c5ccccc5)c6C(=O)c7ccccc7C(=O)c46)cccc3C(=O)c12)c8ccccc8,"InChI=1/C42H25N3O6/c46-37-25-15-7-8-16-26(25)38(47)36-32(45-42(51)24-13-5-2-6-14-24)22-21-31(35(36)37)43-29-19-9-17-27-33(29)39(48)28-18-10-20-30(34(28)40(27)49)44-41(50)23-11-3-1-4-12-23/h1-22,43H,(H,44,50)(H,45,51)",C42H25N3O6,,,,,,HZCNWAWXJDZEHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.472,204-917-9,128-90-5,"9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid","1,8-dihydroxy-4,5-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonic acid",Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O,Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C14H6N2O14S2/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)10-8(13(7)19)4(16(23)24)2-6(12(10)18)32(28,29)30/h1-2,17-18H,(H,25,26,27)(H,28,29,30)",C14H6N2O14S2,,,,,,JJRLFGKLVBSIQX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.143,211-156-6,631-38-9,"1,1-bis[(dimethylamino)methyl]propyl benzoate monohydrochloride","1,1-bis[(dimethylamino)methyl]propyl benzoate hydrochloride",Cl.CCC(CN(C)C)(CN(C)C)OC(=O)c1ccccc1,Cl.CCC(CN(C)C)(CN(C)C)OC(=O)c1ccccc1,"InChI=1/C16H26N2O2.ClH/c1-6-16(12-17(2)3,13-18(4)5)20-15(19)14-10-8-7-9-11-14;/h7-11H,6,12-13H2,1-5H3;1H",C16H26N2O2.ClH,,,,,,FHHDPMSYDYZLAP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.144,211-157-1,631-40-3,Tetrapropylammonium iodide,"N,N,N-tripropylpropan-1-aminium iodide",[I-].CCC[N+](CCC)(CCC)CCC,[I-].CCC[N+](CCC)(CCC)CCC,"InChI=1/C12H28N.HI/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1",C12H28N.I,,,,,,GKXDJYKZFZVASJ-UHFFFAOYSA-M,,,,,,,,,,,
100.010.147,211-160-8,631-59-4,Dihydroxyacetaldehyde,dihydroxyacetaldehyde,OC(O)C=O,OC(O)C=O,"InChI=1/C2H4O3/c3-1-2(4)5/h1-2,4-5H",C2H4O3,,,,,,ROUFUEVOXWOSOA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.148,211-161-3,631-60-7,Dimercury di(acetate),dimercury di(acetate),[Hg+2].[Hg+2].CC(=O)[O-].CC(=O)[O-],[Hg+2].[Hg+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.2Hg/c2*1-2(3)4;;/h2*1H3,(H,3,4);;/q;;2*+2/p-2",C2H4O2.Hg,,,,,,JQSGSFMOYCKMKS-UHFFFAOYSA-L,,,,,,,,,,,
100.010.160,211-174-4,632-24-6,2-sulphamoylbenzoic acid,2-sulfamoylbenzoic acid,NS(=O)(=O)c1ccccc1C(=O)O,NS(=O)(=O)c1ccccc1C(=O)O,"InChI=1/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)",C7H7NO4S,,,,,,KDNIOKSLVIGAAN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.161,211-176-5,632-25-7,2-sulphobenzoic acid,2-sulfobenzoic acid,OC(=O)c1ccccc1S(=O)(=O)O,OC(=O)c1ccccc1S(=O)(=O)O,"InChI=1/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)",C7H6O5S,,,,,,ZMPRRFPMMJQXPP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.162,211-177-0,632-46-2,"2,6-dimethylbenzoic acid","2,6-dimethylbenzoic acid",Cc1cccc(C)c1C(=O)O,Cc1cccc(C)c1C(=O)O,"InChI=1/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O2,,,,,,HCBHQDKBSKYGCK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.165,211-180-7,632-56-4,"Tetraethyl ethane-1,1,2,2-tetracarboxylate","tetraethyl ethane-1,1,2,2-tetracarboxylate",CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC,CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)C(=O)OCC,"InChI=1/C14H22O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h9-10H,5-8H2,1-4H3",C14H22O8,,,,,,UQSBVZIXVVORQC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.168,211-183-3,632-69-9,"Disodium 3,4,5,6-tetrachloro-2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanthen-9-yl)benzoate","disodium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate",[Na+].[Na+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c([O-])c(I)cc24)I,[Na+].[Na+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c([O-])c(I)cc24)I,"InChI=1/C20H4Cl4I4O5.2Na/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2",C20H4Cl4I4O5.2Na,,,,,,UWBXIFCTIZXXLS-UHFFFAOYSA-L,,,,,,,,,,,
100.010.170,211-185-4,632-79-1,Tetrabromophthalic anhydride,"4,5,6,7-tetrabromo-2-benzofuran-1,3-dione",Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,InChI=1/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,C8Br4O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2076,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.170,QHWKHLYUUZGSCW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.782,212-959-4,887-77-4,1-hydroxy-4-sulphonatonaphthalene-2-diazonium,3-diazonio-4-hydroxynaphthalene-1-sulfonate,Oc1c(cc(c2ccccc12)S(=O)(=O)[O-])[N+]#N,Oc1c(cc(c2ccccc12)S(=O)(=O)[O-])[N+]#N,"InChI=1/C10H6N2O4S/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13/h1-5H,(H-,13,14,15,16)",C10H6N2O4S,,,,,,TUXAJHDLJHMOQB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.784,212-962-0,888-12-0,(E)-2'-hydroxychalcone,1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one,Oc1ccccc1C(=O)\\C=C\\c2ccccc2,Oc1ccccc1C(=O)\C=C\c2ccccc2,"InChI=1/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H",C15H12O2,,,,,,AETKQQBRKSELEL-ZHACJKMWSA-N,,,,,,,,,,,
100.011.785,212-963-6,890-35-7,"N-hydroxy-3,3-diphenylpropionamidine","N-hydroxy-3,3-diphenylpropanimidamide",ONC(=N)CC(c1ccccc1)c2ccccc2,ONC(=N)CC(c1ccccc1)c2ccccc2,"InChI=1/C15H16N2O/c16-15(17-18)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H2,16,17)",C15H16N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18697,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.785,UMVCPAZWYLAETQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.793,212-972-5,894-56-4,1-[(4-chlorophenyl)benzyl]piperazinium chloride,1-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-ium chloride,[Cl-].Clc1ccc(cc1)c2ccccc2C[NH+]3CCNCC3,[Cl-].Clc1ccc(cc1)c2ccccc2C[NH+]3CCNCC3,"InChI=1/C17H19ClN2.ClH/c18-16-7-5-14(6-8-16)17-4-2-1-3-15(17)13-20-11-9-19-10-12-20;/h1-8,19H,9-13H2;1H",C17H19ClN2.ClH,,,,,,FHRKBDUKXOMPMW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.806,212-986-1,901-57-5,"(20R)-pregn-5-ene-3ß,20-diol","pregn-5-ene-3,20-diol",C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3",C21H34O2,,,,,,QAAQQTDJEXMIMF-NFJVIFTASA-N,,,,,,,,,,,
100.011.810,212-990-3,903-19-5,"2,5-bis(1,1,3,3-tetramethylbutyl)hydroquinone","2,5-bis(1,1,3,3-tetramethylbutyl)benzene-1,4-diol",CC(C)(C)CC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC(C)(C)C,"InChI=1/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3",C22H38O2,,,,,,CLDZVCMRASJQFO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.338,212-472-7,821-06-7,"(E)-1,4-dibromobut-2-ene","1,4-dibromobut-2-ene",BrC\\C=C\\CBr,BrC\C=C\CBr,"InChI=1/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2",C4H6Br2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13126,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.338,RMXLHIUHKIVPAB-OWOJBTEDSA-N,,,,,,,,,,,
100.011.344,212-479-5,821-48-7,Bis(2-chloroethyl)amine hydrochloride,2-chloro-N-(2-chloroethyl)ethanamine hydrochloride,Cl.ClCCNCCCl,Cl.ClCCNCCCl,"InChI=1/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H",C4H9Cl2N.ClH,,,,,,YMDZDFSUDFLGMX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.348,212-483-7,821-95-4,Undec-1-ene,undec-1-ene,CCCCCCCCCC=C,CCCCCCCCCC=C,"InChI=1/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3",C11H22,,,,,,DCTOHCCUXLBQMS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.351,212-486-3,822-08-2,Undecamethylenediamine,"undecane-1,11-diamine",NCCCCCCCCCCCN,NCCCCCCCCCCCN,InChI=1/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2,C11H26N2,,,,,,KLNPWTHGTVSSEU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.353,212-488-4,822-13-9,1-chlorotridecane,1-chlorotridecane,CCCCCCCCCCCCCCl,CCCCCCCCCCCCCCl,"InChI=1/C13H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3",C13H27Cl,,,,,,ASZMYJSJEOGSBR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.355,212-491-0,822-17-3,"Sodium (9Z,12Z)-octadeca-9,12-dienoate","sodium octadeca-9,12-dienoate",[Na+].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Na+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H32O2.Na,,,,,,WYPBVHPKMJYUEO-NBTZWHCOSA-M,,,,,,,,,,,
100.011.363,212-499-4,822-39-9,"2-chloro-1,3,2-dioxaphospholane","2-chloro-1,3,2-dioxaphospholane",ClP1OCCO1,ClP1OCCO1,InChI=1/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H2,C2H4ClO2P,,,,,,OLSFRDLMFAOSIA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.364,212-500-8,822-50-4,"trans-1,2-dimethylcyclopentane","1,2-dimethylcyclopentane",C[C@H]1CCC[C@@H]1C,C[C@H]1CCC[C@@H]1C,"InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3",C7H14,,,,,,RIRARCHMRDHZAR-BQBZGAKWSA-N,,,,,,,,,,,
100.011.365,212-501-3,822-67-3,Cyclohex-2-ene-1-ol,cyclohex-2-en-1-ol,OC1CCCC=C1,OC1CCCC=C1,"InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2",C6H10O,,,,,,PQANGXXSEABURG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.372,212-509-7,822-96-8,5-methylbicyclo[2.2.1]hept-2-ene,5-methylbicyclo[2.2.1]hept-2-ene,CC1CC2CC1C=C2,CC1CC2CC1C=C2,"InChI=1/C8H12/c1-6-4-7-2-3-8(6)5-7/h2-3,6-8H,4-5H2,1H3",C8H12,,,,,,PCBPVYHMZBWMAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.160,213-376-8,940-71-6,"2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine","2,2,4,4,6,6-hexachloro-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine",Clp1(Cl)np(Cl)(Cl)np(Cl)(Cl)n1,Clp1(Cl)np(Cl)(Cl)np(Cl)(Cl)n1,"InChI=1/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10",Cl6N3P3,,,,,,UBIJTWDKTYCPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.163,213-379-4,941-43-5,"Ethyl 2-methyl-1,3-dioxolane-2-propionate","ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate",CCOC(=O)CCC1(C)OCCO1,CCOC(=O)CCC1(C)OCCO1,"InChI=1/C9H16O4/c1-3-11-8(10)4-5-9(2)12-6-7-13-9/h3-7H2,1-2H3",C9H16O4,,,,,,PLUNGZQWVYCJBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.177,213-395-1,942-93-8,5-chloro-1-phenylpentan-1-one,5-chloro-1-phenylpentan-1-one,ClCCCCC(=O)c1ccccc1,ClCCCCC(=O)c1ccccc1,"InChI=1/C11H13ClO/c12-9-5-4-8-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2",C11H13ClO,,,,,,HTQNQSPMTCJERU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.180,213-398-8,943-17-9,a-[(ethylamino)methyl]-m-hydroxybenzyl alcohol hydrochloride,3-[2-(ethylamino)-1-hydroxyethyl]phenol hydrochloride,Cl.CCNCC(O)c1cccc(O)c1,Cl.CCNCC(O)c1cccc(O)c1,"InChI=1/C10H15NO2.ClH/c1-2-11-7-10(13)8-4-3-5-9(12)6-8;/h3-6,10-13H,2,7H2,1H3;1H",C10H15NO2.ClH,,,,,,KTNROWWHOBZQGK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.188,213-407-5,943-93-1,"13-oxabicyclo[10.1.0]trideca-4,8-diene","13-oxabicyclo[10.1.0]trideca-4,8-diene",C1C\\C=C\\CCC2OC2CC\\C=C/1,C1C\C=C\CCC2OC2CC\C=C/1,"InChI=1/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h3-6,11-12H,1-2,7-10H2",C12H18O,,,,,,OWUVDWLTQIPNLN-CIIODKQPSA-N,,,,,,,,,,,
100.012.189,213-408-0,944-22-9,Fonofos,O-ethyl S-phenyl ethylphosphonodithioate,CCOP(=S)(CC)Sc1ccccc1,CCOP(=S)(CC)Sc1ccccc1,"InChI=1/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C10H15OPS2,,,,,,KVGLBTYUCJYMND-UHFFFAOYSA-N,Positive,EQ311201|EQ311202|EQ311203|EQ311204|EQ311205|EQ311206,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,137.0185:126.9976:108.9871|126.9977:108.9871:137.0184|126.9977:108.9871:80.9558|126.9977:108.9871:80.9558|126.9977:108.9871:80.9558|80.9558:62.9453:126.9977,Eawag,,,,,
100.012.194,213-413-8,945-43-7,"2-amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride","2-amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride",Cl.CC1Nc2nc(N)nc(O)c2NC1C,Cl.CC1Nc2nc(N)nc(O)c2NC1C,"InChI=1/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H",C8H13N5O.ClH,,,,,,GIHYTRGUZVYCQX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.198,213-418-5,946-30-5,Sodium 2-chloro-5-nitrobenzenesulphonate,sodium 2-chloro-5-nitrobenzenesulfonate,[Na+].[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)[O-],"InChI=1/C6H4ClNO5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,(H,11,12,13);/q;+1/p-1",C6H4ClNO5S.Na,,,,,,OUERFXCJVYJQJO-UHFFFAOYSA-M,,,,,,,,,,,
100.012.740,214-013-6,1072-67-9,5-methylisoxazol-3-ylamine,5-methylisoxazol-3-amine,Cc1onc(N)c1,Cc1onc(N)c1,"InChI=1/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)",C4H6N2O,,,,,,FKPXGNGUVSHWQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.743,214-016-2,1072-83-9,1-(1H-pyrrol-2-yl)ethan-1-one,1-(1H-pyrrol-2-yl)ethanone,CC(=O)c1ccc[nH]1,CC(=O)c1ccc[nH]1,"InChI=1/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3",C6H7NO,,,,,,IGJQUJNPMOYEJY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.744,214-017-8,1072-84-0,1H-imidazole-4-carboxylic acid,1H-imidazole-4-carboxylic acid,OC(=O)c1c[nH]cn1,OC(=O)c1c[nH]cn1,"InChI=1/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)",C4H4N2O2,,,,,,NKWCGTOZTHZDHB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.745,214-018-3,1072-85-1,1-bromo-2-fluorobenzene,1-bromo-2-fluorobenzene,Fc1ccccc1Br,Fc1ccccc1Br,InChI=1/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4BrF,,,,,,IPWBFGUBXWMIPR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.746,214-019-9,1072-97-5,5-bromo-2-pyridylamine,5-bromopyridin-2-amine,Nc1ccc(Br)cn1,Nc1ccc(Br)cn1,"InChI=1/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)",C5H5BrN2,,,,,,WGOLHUGPTDEKCF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.749,214-023-0,1073-06-9,1-bromo-3-fluorobenzene,1-bromo-3-fluorobenzene,Fc1cccc(Br)c1,Fc1cccc(Br)c1,InChI=1/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4BrF,,,,,,QDFKKJYEIFBEFC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.750,214-024-6,1073-11-6,Dihydro-5-methyl-5-vinylfuran-2(3H)-one,5-methyl-5-vinyldihydrofuran-2(3H)-one,CC1(CCC(=O)O1)C=C,CC1(CCC(=O)O1)C=C,"InChI=1/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3",C7H10O2,,,,,,QESPSAHXYXIGBG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.754,214-028-8,1073-67-2,p-chlorostyrene,1-chloro-4-vinylbenzene,Clc1ccc(C=C)cc1,Clc1ccc(C=C)cc1,"InChI=1/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2",C8H7Cl,,,,,,KTZVZZJJVJQZHV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.756,214-030-9,1073-70-7,p-chlorophenylhydrazine hydrochloride,(4-chlorophenyl)hydrazine hydrochloride,Cl.NNc1ccc(Cl)cc1,Cl.NNc1ccc(Cl)cc1,"InChI=1/C6H7ClN2.ClH/c7-5-1-3-6(9-8)4-2-5;/h1-4,9H,8H2;1H",C6H7ClN2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18650,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.756,YQVZREHUWCCHHX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.767,214-042-4,1074-54-0,a-methylpiperazine-1-ethanol,1-piperazin-1-ylpropan-2-ol,CC(O)CN1CCNCC1,CC(O)CN1CCNCC1,"InChI=1/C7H16N2O/c1-7(10)6-9-4-2-8-3-5-9/h7-8,10H,2-6H2,1H3",C7H16N2O,,,,,,XAKIZRLIXGLPBW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.775,214-051-3,1075-20-3,"4-phenyl-1,3-dioxolane","4-phenyl-1,3-dioxolane",C1OCC(O1)c2ccccc2,C1OCC(O1)c2ccccc2,"InChI=1/C9H10O2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-5,9H,6-7H2",C9H10O2,,,,,,OVKDCYKVNYLEHK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.786,214-063-9,1076-56-8,2-isopropyl-5-methylanisole,1-isopropyl-2-methoxy-4-methylbenzene,COc1cc(C)ccc1C(C)C,COc1cc(C)ccc1C(C)C,"InChI=1/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3",C11H16O,,,,,,LSQXNMXDFRRDSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.446,214-790-1,1195-06-8,"4-ethylbenzene-1,3-diamine","4-ethylbenzene-1,3-diamine",CCc1ccc(N)cc1N,CCc1ccc(N)cc1N,"InChI=1/C8H12N2/c1-2-6-3-4-7(9)5-8(6)10/h3-5H,2,9-10H2,1H3",C8H12N2,,,,,,PTMVFRKAMOUORT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.450,214-794-3,1195-31-9,(R)-4-(isopropyl)-1-methylcyclohexene,4-isopropyl-1-methylcyclohexene,CC(C)[C@@H]1CCC(=CC1)C,CC(C)[C@@H]1CCC(=CC1)C,"InChI=1/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3",C10H18,,,,,,FAMJUFMHYAFYNU-JTQLQIEISA-N,,,,,,,,,,,
100.013.453,214-798-5,1195-42-2,Cyclohexylisopropylamine,N-isopropylcyclohexanamine,CC(C)NC1CCCCC1,CC(C)NC1CCCCC1,"InChI=1/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3",C9H19N,,,,,,UYYCVBASZNFFRX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.455,214-800-4,1195-52-4,3-(3-thienyl)acrylic acid,3-(3-thienyl)acrylic acid,OC(=O)\\C=C\\c1ccsc1,OC(=O)\C=C\c1ccsc1,"InChI=1/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)",C7H6O2S,,,,,,VYRYYUKILKRGDN-OWOJBTEDSA-N,,,,,,,,,,,
100.013.456,214-802-5,1195-58-0,"Pyridine-3,5-dicarbonitrile","pyridine-3,5-dicarbonitrile",N#Cc1cncc(c1)C#N,N#Cc1cncc(c1)C#N,"InChI=1/C7H3N3/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H",C7H3N3,,,,,,UHPIOPMELXIDLL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.462,214-808-8,1196-13-0,"1,3,5-trichloro-2-nitrosobenzene","1,3,5-trichloro-2-nitrosobenzene",Clc1cc(Cl)c(N=O)c(Cl)c1,Clc1cc(Cl)c(N=O)c(Cl)c1,InChI=1/C6H2Cl3NO/c7-3-1-4(8)6(10-11)5(9)2-3/h1-2H,C6H2Cl3NO,,,,,,ASVJEKOYAPBKKG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.470,214-817-7,1197-01-9,"a,a,4-trimethylbenzyl alcohol",2-(4-methylphenyl)propan-2-ol,Cc1ccc(cc1)C(C)(C)O,Cc1ccc(cc1)C(C)(C)O,"InChI=1/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",C10H14O,,,,,,XLPDVYGDNRIQFV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.480,214-828-7,1197-55-3,4-aminophenylacetic acid,(4-aminophenyl)acetic acid,Nc1ccc(CC(=O)O)cc1,Nc1ccc(CC(=O)O)cc1,"InChI=1/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)",C8H9NO2,,,,,,CSEWAUGPAQPMDC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.473,204-918-4,128-91-6,"1,5-dihydroxy-4,8-dinitroanthraquinone","1,5-dihydroxy-4,8-dinitro-9,10-anthraquinone",Oc1ccc(c2C(=O)c3c(O)ccc(c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],Oc1ccc(c2C(=O)c3c(O)ccc(c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)10-6(16(23)24)2-4-8(18)12(10)13(9)19/h1-4,17-18H",C14H6N2O8,,,,,,CUIHODIOWPLCMG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.476,204-922-6,128-95-0,"1,4-diaminoanthraquinone","1,4-diamino-9,10-anthraquinone",Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2",C14H10N2O2,,,,,,FBMQNRKSAWNXBT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.478,204-924-7,128-97-2,"Naphthalene-1,4,5,8-tetracarboxylic acid","naphthalene-1,4,5,8-tetracarboxylic acid",OC(=O)c1ccc(C(=O)O)c2c(ccc(C(=O)O)c12)C(=O)O,OC(=O)c1ccc(C(=O)O)c2c(ccc(C(=O)O)c12)C(=O)O,"InChI=1/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)",C14H8O8,,,,,,OLAPPGSPBNVTRF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.483,204-929-4,129-06-6,Warfarin sodium,sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate,[Na+].CC(=O)CC(C\\1=C(/[O-])c2ccccc2OC/1=O)c3ccccc3,[Na+].CC(=O)CC(C\1=C(/[O-])c2ccccc2OC/1=O)c3ccccc3,"InChI=1/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1",C19H16O4.Na,,,,,,KYITYFHKDODNCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.004.493,204-940-4,129-35-1,1-chloro-2-methylanthraquinone,"1-chloro-2-methyl-9,10-anthraquinone",Cc1ccc2C(=O)c3ccccc3C(=O)c2c1Cl,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1Cl,"InChI=1/C15H9ClO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3",C15H9ClO2,,,,,,NMFBXBSNLQNQKL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.496,204-944-6,129-40-8,1-chloro-5-nitroanthraquinone,"1-chloro-5-nitro-9,10-anthraquinone",[O-][N+](=O)c1cccc2C(=O)c3c(Cl)cccc3C(=O)c12,[O-][N+](=O)c1cccc2C(=O)c3c(Cl)cccc3C(=O)c12,InChI=1/C14H6ClNO4/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16(19)20)12(8)14(7)18/h1-6H,C14H6ClNO4,,,,,,VOZLLWQPJJSWPR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.505,204-954-0,129-54-4,"[3,3'-bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione","6H,6'H-3,3'-bidibenzo[cd,g]indazole-6,6'-dione",O=C1C2=C3C(=NN=C3c4ccccc14)C(=C5C=CC6=C7C5=NN=C7c8ccccc8C6=O)C=C2,O=C1C2=C3C(=NN=C3c4ccccc14)C(=C5C=CC6=C7C5=NN=C7c8ccccc8C6=O)C=C2,InChI=1/C28H12N4O2/c33-27-17-7-3-1-5-13(17)23-21-19(27)11-9-15(25(21)31-29-23)16-10-12-20-22-24(30-32-26(16)22)14-6-2-4-8-18(14)28(20)34/h1-12H,C28H14N4O2,,,,,,XXQZRFNOZSGPRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.506,204-955-6,129-56-6,"Anthra[1,9-cd]pyrazol-6(2H)-one","dibenzo[cd,g]indazol-6(2H)-one",O=C1c2ccccc2c3n[nH]c4cccc1c34,O=C1c2ccccc2c3n[nH]c4cccc1c34,"InChI=1/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)",C14H8N2O,,,,,,ACPOUJIDANTYHO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.507,204-956-1,129-63-5,Sodium acetrizoate,"sodium acetyl(3-carboxy-2,4,6-triiodophenyl)azanide",CC(=O)N([Na])c1c(I)cc(I)c(C(=O)O)c1I,CC(=O)N([Na])c1c(I)cc(I)c(C(=O)O)c1I,"InChI=1/C9H6I3NO3.Na/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;/h2H,1H3,(H2,13,14,15,16);/q;+1/p-1/rC9H5I3NNaO3/c1-3(15)13(14)8-5(11)2-4(10)6(7(8)12)9(16)17/h2H,1H3,(H,16,17)",C9H6I3NO3.Na,,,,,,KMHCLAMTODGQSP-UHFFFAOYSA-M,,,,,,,,,,,
100.004.508,204-957-7,129-64-6,"Endo-3,6-methylene-1,2,3,6-tetrahydrophthalic anhydride","3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione",O=C1OC(=O)C2C3CC(C=C3)C12,O=C1OC(=O)C2C3CC(C=C3)C12,"InChI=1/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2",C9H8O3,,,,,,KNDQHSIWLOJIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.511,204-960-3,129-68-0,"Aceanthryleno[2,1-a]aceanthrylene-5,13-dione","aceanthryleno[2,1-a]aceanthrylene-5,13-dione",O=C1c2ccccc2C3=C4C(=C5c6ccccc6C(=O)c7cccc4c57)c8cccc1c38,O=C1c2ccccc2C3=C4C(=C5c6ccccc6C(=O)c7cccc4c57)c8cccc1c38,InChI=1/C30H14O2/c31-29-17-9-3-1-7-15(17)25-23-19(11-5-13-21(23)29)28-26-16-8-2-4-10-18(16)30(32)22-14-6-12-20(24(22)26)27(25)28/h1-14H,C30H14O2,,,,,,NUNPDAMQSBMCIG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.513,204-962-4,129-74-8,Buclizine dihydrochloride,1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazine dihydrochloride,Cl.Cl.CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1,Cl.Cl.CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1,"InChI=1/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H",C28H33ClN2.2ClH,,,,,,SDBHDSZKNVDKNU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.515,204-965-0,129-79-3,"2,4,7-trinitrofluoren-9-one","2,4,7-trinitro-9H-fluoren-9-one",[O-][N+](=O)c1ccc2c(c1)C(=O)c3cc(cc(c23)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1ccc2c(c1)C(=O)c3cc(cc(c23)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H,C13H5N3O7,,,,,,VHQGURIJMFPBKS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.516,204-966-6,129-81-7,"4-iodo-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one","4-iodo-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CN1N(C(=O)C(=C1C)I)c2ccccc2,CN1N(C(=O)C(=C1C)I)c2ccccc2,"InChI=1/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3",C11H11IN2O,,,,,,ZZOBLCHCPLOXCE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.517,204-967-1,129-83-9,Phenampromide,N-(1-methyl-2-piperidin-1-ylethyl)-N-phenylpropanamide,CCC(=O)N([C@H](C)CN1CCCCC1)c2ccccc2,CCC(=O)N([C@H](C)CN1CCCCC1)c2ccccc2,"InChI=1/C17H26N2O/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3",C17H26N2O,,,,,,DHTRHEVNFFZCNU-OAHLLOKOSA-N,,,,,,,,,,,
100.011.811,212-991-9,903-46-8,"Disodium 9,10-dihydro-9,10-dioxoanthracene-1,8-disulphonate","disodium 9,10-dioxo-9,10-dihydroanthracene-1,8-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H8O8S2.2Na/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H8O8S2.2Na,,,,,,QPNXKOHYRKMDAP-UHFFFAOYSA-L,,,,,,,,,,,
100.011.813,212-994-5,905-30-6,"3-pyrrolidin-1-ylandrosta-3,5-dien-17-one","3-pyrrolidin-1-ylandrosta-3,5-dien-17-one",C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)N5CCCC5)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)N5CCCC5)[C@@H]1CCC2=O,"InChI=1/C23H33NO/c1-22-11-9-17(24-13-3-4-14-24)15-16(22)5-6-18-19-7-8-21(25)23(19,2)12-10-20(18)22/h5,15,18-20H,3-4,6-14H2,1-2H3",C23H33NO,,,,,,RYMKCRPGXRRYQV-CWMMHYCISA-N,,,,,,,,,,,
100.011.814,212-995-0,905-62-4,"2,5-di(1-naphthyl)-1,3,4-oxadiazole","2,5-di-1-naphthyl-1,3,4-oxadiazole",o1c(nnc1c2cccc3ccccc23)c4cccc5ccccc45,o1c(nnc1c2cccc3ccccc23)c4cccc5ccccc45,InChI=1/C22H14N2O/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-24-22(25-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,C22H14N2O,,,,,,MUNFOTHAFHGRIM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.818,212-999-2,908-54-3,"N-acetylglycine, compound with 4,4'-(1-triazene-1,3-diyl)bis[benzenecarboxamidine] (2:1)",N-acetylglycine - 4-[3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide (2:1),CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)c2ccc(N=NNc1ccc(cc1)C(N)=N)cc2,CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)c2ccc(N=NNc1ccc(cc1)C(N)=N)cc2,"InChI=1/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)",C14H15N7.2C4H7NO3,,,,,,OKQSSSVVBOUMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.819,213-000-2,909-39-7,"4-[3-(5H-dibenz(b,f)azepin-5-yl)propyl]piperazine-1-ethanol dihydrochloride","2-{4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethanol dihydrochloride",Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1,"InChI=1/C23H29N3O.2ClH/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26;;/h1-4,6-11,27H,5,12-19H2;2*1H",C23H29N3O.2ClH,,,,,,DLTOEESOSYKJBK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.824,213-006-5,910-86-1,Tiocarlide,"1,3-bis[4-(3-methylbutoxy)phenyl]thiourea",CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1,CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1,"InChI=1/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)",C23H32N2O2S,,,,,,BWBONKHPVHMQHE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.733,214-005-2,1072-35-1,Lead distearate,-,[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC,[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/2C18H36O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2*2-17H2,1H3,(H,19,20);;;/q;;+4;;/p-2/r2C18H36O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);1H2/q;;+4/p-2",C18H36O2.1/2Pb,,,,,,UQLDLKMNUJERMK-UHFFFAOYSA-L,,,,,,,,,,,
100.012.738,214-011-5,1072-62-4,2-ethylimidazole,2-ethyl-1H-imidazole,CCc1ncc[nH]1,CCc1ncc[nH]1,"InChI=1/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)",C5H8N2,,,,,,PQAMFDRRWURCFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.741,214-014-1,1072-71-5,"1,3,4-thiadiazole-2,5-dithiol","1,3,4-thiadiazole-2,5-dithiol",Sc1nnc(S)s1,Sc1nnc(S)s1,"InChI=1/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)",C2H2N2S3,,,,,,BIGYLAKFCGVRAN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.742,214-015-7,1072-72-6,4-thiacyclohexanone,tetrahydro-4H-thiopyran-4-one,O=C1CCSCC1,O=C1CCSCC1,InChI=1/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2,C5H8OS,,,,,,OVRJVKCZJCNSOW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.747,214-020-4,1072-98-6,5-chloro-2-pyridylamine,5-chloropyridin-2-amine,Nc1ccc(Cl)cn1,Nc1ccc(Cl)cn1,"InChI=1/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)",C5H5ClN2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18254,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.747,MAXBVGJEFDMHNV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.751,214-025-1,1073-23-0,"2,6-dimethylpyridine 1-oxide","2,6-dimethylpyridine 1-oxide",Cc1cccc(C)[n+]1[O-],Cc1cccc(C)[n+]1[O-],"InChI=1/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3",C7H9NO,,,,,,LIDGFHXPUOJZMK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.753,214-027-2,1073-29-6,o-(methylthio)phenol,2-(methylsulfanyl)phenol,CSc1ccccc1O,CSc1ccccc1O,"InChI=1/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",C7H8OS,,,,,,SOOARYARZPXNAL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.765,214-040-3,1074-43-7,3-propyltoluene,1-methyl-3-propylbenzene,CCCc1cccc(C)c1,CCCc1cccc(C)c1,"InChI=1/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3",C10H14,,,,,,QUEBYVKXYIKVSO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.768,214-044-5,1074-55-1,4-propyltoluene,1-methyl-4-propylbenzene,CCCc1ccc(C)cc1,CCCc1ccc(C)cc1,"InChI=1/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3",C10H14,,,,,,JXFVMNFKABWTHD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.771,214-047-1,1074-89-1,6-methoxypurine,6-methoxy-9H-purine,COc1ncnc2[nH]cnc12,COc1ncnc2[nH]cnc12,"InChI=1/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)",C6H6N4O,,,,,,GOILPRCCOREWQE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.201,213-421-1,946-43-0,"Methyl(ß,3,4-trihydroxy-a-methylphenethyl)ammonium chloride","1-(3,4-dihydroxyphenyl)-1-hydroxy-N-methylpropan-2-aminium chloride",[Cl-].C[NH2+]C(C)C(O)c1ccc(O)c(O)c1,[Cl-].C[NH2+]C(C)C(O)c1ccc(O)c(O)c1,"InChI=1/C10H15NO3.ClH/c1-6(11-2)10(14)7-3-4-8(12)9(13)5-7;/h3-6,10-14H,1-2H3;1H",C10H15NO3.ClH,,,,,,HPDZIFBLRDLGFA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.208,213-429-5,947-62-6,2-methoxy-1-naphthoic acid,2-methoxy-1-naphthoic acid,COc1ccc2ccccc2c1C(=O)O,COc1ccc2ccccc2c1C(=O)O,"InChI=1/C12H10O3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3,(H,13,14)",C12H10O3,,,,,,OSTYZAHQVPMQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.741,211-813-7,698-27-1,4-methylsalicylaldehyde,2-hydroxy-4-methylbenzaldehyde,Cc1ccc(C=O)c(O)c1,Cc1ccc(C=O)c(O)c1,"InChI=1/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3",C8H8O2,,,,,,JODRRPJMQDFCBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.745,211-817-9,698-67-9,4-bromobenzamide,4-bromobenzamide,NC(=O)c1ccc(Br)cc1,NC(=O)c1ccc(Br)cc1,"InChI=1/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)",C7H6BrNO,,,,,,ZRWNRAJCPNLYAK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.750,211-823-1,698-92-0,1-(2-chloropropyl)piperidine,1-(2-chloropropyl)piperidine,CC(Cl)CN1CCCCC1,CC(Cl)CN1CCCCC1,"InChI=1/C8H16ClN/c1-8(9)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3",C8H16ClN,,,,,,KFWCHHIRLGAWOS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.758,211-832-0,699-30-9,"3,3,4,4-tetrafluorodihydrofuran-2,5-dione","3,3,4,4-tetrafluorodihydrofuran-2,5-dione",FC1(F)C(=O)OC(=O)C1(F)F,FC1(F)C(=O)OC(=O)C1(F)F,"InChI=1/C4F4O3/c5-3(6)1(9)11-2(10)4(3,7)8",C4F4O3,,,,,,ZLVLNNCBGQYRAB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.759,211-833-6,699-83-2,"2',6'-dihydroxyacetophenone","1-(2,6-dihydroxyphenyl)ethanone",CC(=O)c1c(O)cccc1O,CC(=O)c1c(O)cccc1O,"InChI=1/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3",C8H8O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18273,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.759,YPTJKHVBDCRKNF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.766,211-840-4,700-17-4,"2,3,5,6-tetrafluoroaniline","2,3,5,6-tetrafluoroaniline",Nc1c(F)c(F)cc(F)c1F,Nc1c(F)c(F)cc(F)c1F,"InChI=1/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2",C6H3F4N,,,,,,SPSWJTZNOXMMMV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.770,211-845-1,700-47-0,Pteridin-4-ol,pteridin-4-ol,Oc1ncnc2nccnc12,Oc1ncnc2nccnc12,"InChI=1/C6H4N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)",C6H4N4O,,,,,,UWWUXWWWOUNMKW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.774,211-849-3,700-63-0,2-amino-2-phenylacetamide,2-amino-2-phenylacetamide,NC(C(=O)N)c1ccccc1,NC(C(=O)N)c1ccccc1,"InChI=1/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)",C8H10N2O,,,,,,KIYRSYYOVDHSPG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.776,211-851-4,700-82-3,"3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2-one","3,4,5,6,7,8-hexahydro-2H-chromen-2-one",O=C1CCC2=C(CCCC2)O1,O=C1CCC2=C(CCCC2)O1,InChI=1/C9H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H2,C9H12O2,,,,,,ODFRBYOJLDRSKF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.779,211-855-6,701-45-1,2-bromo-1-fluoro-4-nitrobenzene,2-bromo-1-fluoro-4-nitrobenzene,[O-][N+](=O)c1ccc(F)c(Br)c1,[O-][N+](=O)c1ccc(F)c(Br)c1,InChI=1/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,C6H3BrFNO2,,,,,,FAWMTDSAMOCUAR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.781,211-857-7,701-64-4,Phenyl dihydrogen phosphate,phenyl dihydrogen phosphate,OP(=O)(O)Oc1ccccc1,OP(=O)(O)Oc1ccccc1,"InChI=1/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",C6H7O4P,,,,,,CMPQUABWPXYYSH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.782,211-858-2,701-70-2,1-phenylbutan-2-ol,1-phenylbutan-2-ol,CCC(O)Cc1ccccc1,CCC(O)Cc1ccccc1,"InChI=1/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3",C10H14O,,,,,,LYUPJHVGLFETDG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.785,211-861-9,701-97-3,3-cyclohexylpropionic acid,3-cyclohexylpropanoic acid,OC(=O)CCC1CCCCC1,OC(=O)CCC1CCCCC1,"InChI=1/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)",C9H16O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12694,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.785,HJZLEGIHUQOJBA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.792,211-869-2,702-75-0,"8,8-dimethyl-6,10-dioxaspiro[4.5]decane","8,8-dimethyl-6,10-dioxaspiro[4.5]decane",CC1(C)COC2(CCCC2)OC1,CC1(C)COC2(CCCC2)OC1,"InChI=1/C10H18O2/c1-9(2)7-11-10(12-8-9)5-3-4-6-10/h3-8H2,1-2H3",C10H18O2,,,,,,JOXSTTXXTNBJRU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.794,211-871-3,702-96-5,"2,2,5,5-tetramethylpyrrolidine-3-carboxamide","2,2,5,5-tetramethylpyrrolidine-3-carboxamide",CC1(C)CC(C(=O)N)C(C)(C)N1,CC1(C)CC(C(=O)N)C(C)(C)N1,"InChI=1/C9H18N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h6,11H,5H2,1-4H3,(H2,10,12)",C9H18N2O,,,,,,POAGFQOGFRYOFM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.596,211-654-3,681-49-2,"(1,1,2,2-tetrafluoroethoxy)ethylene","(1,1,2,2-tetrafluoroethoxy)ethene",FC(F)C(F)(F)OC=C,FC(F)C(F)(F)OC=C,"InChI=1/C4H4F4O/c1-2-9-4(7,8)3(5)6/h2-3H,1H2",C4H4F4O,,,,,,DJMQRXRWMWKDAP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.598,211-656-4,681-84-5,Tetramethyl orthosilicate,tetramethyl orthosilicate,CO[Si](OC)(OC)OC,CO[Si](OC)(OC)OC,"InChI=1/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3",C4H12O4Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5972,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.598,LFQCEHFDDXELDD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.483,214-831-3,1198-33-0,"3,9-dihydro-9-methyl-1H-purine-2,6-dione","9-methyl-3,9-dihydro-1H-purine-2,6-dione",Cn1cnc2C(=O)NC(=O)Nc12,Cn1cnc2C(=O)NC(=O)Nc12,"InChI=1/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)",C6H6N4O2,,,,,,DHNIKYWYTSMDDA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.486,214-835-5,1198-61-4,"1,3-dichloro-2,4,5,6-tetrafluorobenzene","1,3-dichloro-2,4,5,6-tetrafluorobenzene",Fc1c(F)c(Cl)c(F)c(Cl)c1F,Fc1c(F)c(Cl)c(F)c(Cl)c1F,InChI=1/C6Cl2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10,C6Cl2F4,,,,,,LFIJIYWQWRQWQC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.487,214-836-0,1198-63-6,"2,4,5,6-tetrafluorobenzene-1,3-diamine","2,4,5,6-tetrafluorobenzene-1,3-diamine",Nc1c(F)c(N)c(F)c(F)c1F,Nc1c(F)c(N)c(F)c(F)c1F,InChI=1/C6H4F4N2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H2,C6H4F4N2,,,,,,FXGQUGCFZKMIJW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.488,214-837-6,1198-64-7,"2,3,5,6-tetrafluorobenzene-1,4-diamine","2,3,5,6-tetrafluorobenzene-1,4-diamine",Nc1c(F)c(F)c(N)c(F)c1F,Nc1c(F)c(F)c(N)c(F)c1F,InChI=1/C6H4F4N2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H2,C6H4F4N2,,,,,,FVFYRXJKYAVFSB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.493,214-842-3,1199-18-4,Oxidopamine,"5-(2-aminoethyl)benzene-1,2,4-triol",NCCc1cc(O)c(O)cc1O,NCCc1cc(O)c(O)cc1O,"InChI=1/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2",C8H11NO3,,,,,,DIVDFFZHCJEHGG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.496,214-846-5,1199-59-3,4-dimethylamino-o-tolualdehyde,4-(dimethylamino)-2-methylbenzaldehyde,CN(C)c1ccc(C=O)c(C)c1,CN(C)c1ccc(C=O)c(C)c1,"InChI=1/C10H13NO/c1-8-6-10(11(2)3)5-4-9(8)7-12/h4-7H,1-3H3",C10H13NO,,,,,,XZWMCPUAUNHGPF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.184,211-202-5,634-01-5,"Adenosine cyclic 2',3'-(hydrogen phosphate)","4-(6-amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide",Nc1ncnc2c1ncn2C3OC(CO)C4OP(=O)(O)OC34,Nc1ncnc2c1ncn2C3OC(CO)C4OP(=O)(O)OC34,"InChI=1/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)",C10H12N5O6P,,,,,,KMYWVDDIPVNLME-UHFFFAOYSA-N,,,,,,,,,,,
100.010.188,211-206-7,634-35-5,1-ethylquinolinium iodide,1-ethylquinolinium iodide,[I-].CC[n+]1cccc2ccccc12,[I-].CC[n+]1cccc2ccccc12,"InChI=1/C11H12N.HI/c1-2-12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,2H2,1H3;1H/q+1;/p-1",C11H12N.I,,,,,,PMYUGMDDIBOXQM-UHFFFAOYSA-M,,,,,,,,,,,
100.010.191,211-209-3,634-47-9,2-chloro-4-methylquinoline,2-chloro-4-methylquinoline,Cc1cc(Cl)nc2ccccc12,Cc1cc(Cl)nc2ccccc12,"InChI=1/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3",C10H8ClN,,,,,,PFEIMKNQOIFKSW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.192,211-210-9,634-60-6,2-aminoresorcinol hydrochloride,"2-aminobenzene-1,3-diol hydrochloride",Cl.Nc1c(O)cccc1O,Cl.Nc1c(O)cccc1O,"InChI=1/C6H7NO2.ClH/c7-6-4(8)2-1-3-5(6)9;/h1-3,8-9H,7H2;1H",C6H7NO2.ClH,,,,,,QOVNXPCVVNCPQC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.193,211-211-4,634-62-8,Hydrazine tartrate,"hydrazine 2,3-dihydroxysuccinate (salt)",NN.OC(C(O)C(=O)O)C(=O)O,NN.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C4H6O6.H4N2/c5-1(3(7)8)2(6)4(9)10;1-2/h1-2,5-6H,(H,7,8)(H,9,10);1-2H2",C4H6O6.H4N2,,,,,,GHPDWAAGDJPBLL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.194,211-213-5,634-65-1,"2,4-dimethylresorcinol","2,4-dimethylbenzene-1,3-diol",Cc1ccc(O)c(C)c1O,Cc1ccc(O)c(C)c1O,"InChI=1/C8H10O2/c1-5-3-4-7(9)6(2)8(5)10/h3-4,9-10H,1-2H3",C8H10O2,,,,,,RJWLXGOSIRVRAR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.195,211-214-0,634-66-2,"1,2,3,4-tetrachlorobenzene","1,2,3,4-tetrachlorobenzene",Clc1ccc(Cl)c(Cl)c1Cl,Clc1ccc(Cl)c(Cl)c1Cl,InChI=1/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,C6H2Cl4,,,,,,GBDZXPJXOMHESU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.200,211-219-8,634-93-5,"2,4,6-trichloroaniline","2,4,6-trichloroaniline",Nc1c(Cl)cc(Cl)cc1Cl,Nc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2",C6H4Cl3N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16982,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.200,NATVSFWWYVJTAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.201,211-220-3,634-95-7,"1,1-diethylurea","1,1-diethylurea",CCN(CC)C(=O)N,CCN(CC)C(=O)N,"InChI=1/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)",C5H12N2O,,,,,,TUMNHQRORINJKE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.202,211-221-9,634-97-9,Pyrrole-2-carboxylic acid,1H-pyrrole-2-carboxylic acid,OC(=O)c1ccc[nH]1,OC(=O)c1ccc[nH]1,"InChI=1/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)",C5H5NO2,,,,,,WRHZVMBBRYBTKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.206,211-226-6,635-10-9,"Tetramethyl benzene-1,2,4,5-tetracarboxylate","tetramethyl benzene-1,2,4,5-tetracarboxylate",COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC,COC(=O)c1cc(C(=O)OC)c(cc1C(=O)OC)C(=O)OC,"InChI=1/C14H14O8/c1-19-11(15)7-5-9(13(17)21-3)10(14(18)22-4)6-8(7)12(16)20-2/h5-6H,1-4H3",C14H14O8,,,,,,QVEIFJBUBJUUMB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.211,211-231-3,635-22-3,4-chloro-3-nitroaniline,4-chloro-3-nitroaniline,Nc1ccc(Cl)c(c1)[N+](=O)[O-],Nc1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2",C6H5ClN2O2,,,,,,FOHHWGVAOVDVLP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.523,204-973-4,130-00-7,Benz[cd]indol-2(1H)-one,benzo[cd]indol-2(1H)-one,O=C1Nc2cccc3cccc1c23,O=C1Nc2cccc3cccc1c23,"InChI=1/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)",C11H7NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12577,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.523,GPYLCFQEKPUWLD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.535,204-987-0,130-37-0,Menadione sodium bisulfite,"sodium 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate",[Na+].CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)[O-],[Na+].CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)[O-],"InChI=1/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1",C11H10O5S.Na,,,,,,XDPFHGWVCTXHDX-UHFFFAOYSA-M,,,,,,,,,,,
100.004.542,204-994-9,130-79-0,"(E)-4,4'-(1,2-diethylethylene)dianisole","1,1'-hexane-3,4-diylbis(4-methoxybenzene)",CCC(C(CC)c1ccc(OC)cc1)c2ccc(OC)cc2,CCC(C(CC)c1ccc(OC)cc1)c2ccc(OC)cc2,"InChI=1/C20H26O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14,19-20H,5-6H2,1-4H3",C20H24O2,,,,,,VKVVHAKNGMXJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.543,204-995-4,130-80-3,Diethylstilbestrol dipropionate,"hex-3-ene-3,4-diyldi-4,1-phenylene dipropanoate",O=C(Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OC(=O)CC)cc2)CC,O=C(Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OC(=O)CC)cc2)CC,"InChI=1/C24H28O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16H,5-8H2,1-4H3",C24H28O4,,,,,,VZMLEMYJUIIHNF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.549,205-002-7,130-90-5,Quinine formate,formic acid - 6'-methoxycinchonan-9-ol (1:1),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC=O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC=O,"InChI=1/C20H24N2O2.CH2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H,(H,2,3)",C20H24N2O2.CH2O2,,,,,,LKUVXQMSYPYURB-DSXUQNDKSA-N,,,,,,,,,,,
100.004.556,205-010-0,131-09-9,2-chloroanthraquinone,"2-chloro-9,10-anthraquinone",Clc1ccc2C(=O)c3ccccc3C(=O)c2c1,Clc1ccc2C(=O)c3ccccc3C(=O)c2c1,InChI=1/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,C14H7ClO2,,,,,,FPKCTSIVDAWGFA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.558,205-012-1,131-13-5,"Tetrasodium 2-methyl-1,4-naphthylene bis(phosphate)","tetrasodium 2-methylnaphthalene-1,4-diyl bis(phosphate)",Cc1cc(OP(=O)(O[Na])O[Na])c2ccccc2c1OP(=O)(O[Na])O[Na],Cc1cc(OP(=O)(O[Na])O[Na])c2ccccc2c1OP(=O)(O[Na])O[Na],"InChI=1/C11H12O8P2.4Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4/rC11H8Na4O8P2/c1-7-6-10(18-24(16,20-12)21-13)8-4-2-3-5-9(8)11(7)19-25(17,22-14)23-15/h2-6H,1H3",C11H12O8P2.4Na,,,,,,GZBACHSOZNEZOG-UHFFFAOYSA-J,,,,,,,,,,,
100.004.559,205-013-7,131-14-6,"2,6-diaminoanthraquinone","2,6-diamino-9,10-anthraquinone",Nc1ccc2C(=O)c3cc(N)ccc3C(=O)c2c1,Nc1ccc2C(=O)c3cc(N)ccc3C(=O)c2c1,"InChI=1/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H,15-16H2",C14H10N2O2,,,,,,WQOWBWVMZPPPGX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.566,205-021-0,131-28-2,Narceine,"6-({6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoic acid",COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(=O)O)c1OC,COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(=O)O)c1OC,"InChI=1/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)",C23H27NO8,,,,,,DEXMFYZAHXMZNM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.568,205-023-1,131-48-6,N-acetylneuraminic acid,"5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid",CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO,CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)",C11H19NO9,,,,,,KBGAYAKRZNYFFG-BOHATCBPSA-N,,,,,,,,,,,
100.004.572,205-027-3,131-54-4,"2,2'-dihydroxy-4,4'-dimethoxybenzophenone",bis(2-hydroxy-4-methoxyphenyl)methanone,COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,"InChI=1/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3",C15H14O5,,,,,,SODJJEXAWOSSON-UHFFFAOYSA-N,,,,,,,,,,,
100.004.575,205-031-5,131-57-7,Oxybenzone,(2-hydroxy-4-methoxyphenyl)(phenyl)methanone,COc1ccc(C(=O)c2ccccc2)c(O)c1,COc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",C14H12O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5515,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.575,DXGLGDHPHMLXJC-UHFFFAOYSA-N,Positive,SM814303;SM862902;EA023001|EA023002|EA023003|EA023004|EA023005|EA023006|EA023007|EA023008|EA023009|EA023010|EA023011|EA023012|EA023013|EA023014;TUE00131|TUE00132|TUE00133,[M+H]+;[M+H]+;[M+H]+;[M+H]+,HCD35;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V,151.0389:229.0859:105.0334;151.0389:229.0859:105.0335;151.039:105.0335:77.0387|229.0859:151.0388:105.0335|229.0861:151.039:105.0335|151.039:105.0335:229.0858|151.039:105.0335:95.0492|151.039:105.0335:95.0492|151.039:95.0492:105.0335|229.0858:151.039:105.0333|229.0859:151.039:105.0335|151.039:105.0335:229.0858|151.0389:105.0335:95.0491|151.0389:105.0335:95.0491|151.0389:95.0491:105.0335|151.039:105.0335:77.0386;229.0861:151.0389:105.0335|151.0389:105.0335:77.0386|77.0386:95.0491:151.0387,CASMI_2016;CASMI_2016;Eawag;Env_Anal_Chem_U_Tuebingen,,,,,
100.004.577,205-033-6,131-63-5,Ammonium 2-(aminocarbonyl)benzoate,ammonium 2-carbamoylbenzoate,[NH4+].NC(=O)c1ccccc1C(=O)[O-],[NH4+].NC(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H7NO3.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H2,9,10)(H,11,12);1H3",C8H7NO3.H3N,,,,,,SARKQAUWTBDBIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.584,205-040-4,131-83-9,Uridine 2'-monophosphate,2'-O-phosphonatouridine,OC[C@H]1O[C@H]([C@H](OP(=O)([O-])[O-])[C@@H]1O)N2C=CC(=O)NC2=O,OC[C@H]1O[C@H]([C@H](OP(=O)([O-])[O-])[C@@H]1O)N2C=CC(=O)NC2=O,"InChI=1/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/p-2",C9H13N2O9P,,,,,,HQIDPEYTETUCNF-XVFCMESISA-L,,,,,,,,,,,
100.004.585,205-042-5,131-89-5,Dinex,"2-cyclohexyl-4,6-dinitrophenol",Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2,Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2,"InChI=1/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2",C12H14N2O5,,,,,,QJYHUJAGJUHXJN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.772,214-048-7,1074-91-5,"1-bromo-2,3,4,5-tetrafluorobenzene","1-bromo-2,3,4,5-tetrafluorobenzene",Fc1cc(Br)c(F)c(F)c1F,Fc1cc(Br)c(F)c(F)c1F,InChI=1/C6HBrF4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,C6HBrF4,,,,,,BUYSIDPAOVWMQX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.777,214-053-4,1075-49-6,p-vinylbenzoic acid,4-vinylbenzoic acid,OC(=O)c1ccc(C=C)cc1,OC(=O)c1ccc(C=C)cc1,"InChI=1/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)",C9H8O2,,,,,,IRQWEODKXLDORP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.778,214-055-5,1075-56-5,"1-(2,3-dichloroallyl)pyridinium chloride","1-(2,3-dichloroprop-2-en-1-yl)pyridinium chloride",[Cl-].Cl\\C=C(/Cl)\\C[n+]1ccccc1,[Cl-].Cl\C=C(/Cl)\C[n+]1ccccc1,"InChI=1/C8H8Cl2N.ClH/c9-6-8(10)7-11-4-2-1-3-5-11;/h1-6H,7H2;1H/q+1;/p-1",C8H8Cl2N.Cl,,,,,,RFRQQNJDUQXAAS-PHZXCRFESA-M,,,,,,,,,,,
100.012.779,214-056-0,1075-61-2,3-(2-aminopropyl)phenol,3-(2-aminopropyl)phenol,CC(N)Cc1cccc(O)c1,CC(N)Cc1cccc(O)c1,"InChI=1/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3",C9H13NO,,,,,,WTDGMHYYGNJEKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.780,214-057-6,1075-76-9,3-anilinopropionitrile,3-anilinopropanenitrile,N#CCCNc1ccccc1,N#CCCNc1ccccc1,"InChI=1/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2",C9H10N2,,,,,,FENJKTQEFUPECW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.785,214-062-3,1076-46-6,"Ammonium 3-amino-2,5-dichlorobenzoate","ammonium 3-amino-2,5-dichlorobenzoate",[NH4+].Nc1cc(Cl)cc(C(=O)[O-])c1Cl,[NH4+].Nc1cc(Cl)cc(C(=O)[O-])c1Cl,"InChI=1/C7H5Cl2NO2.H3N/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);1H3",C7H5Cl2NO2.H3N,,,,,,RSSKZIYCSDAOJD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.464,214-810-9,1196-29-8,1-(2-hydroxyphenyl)ethan-1-one oxime,1-(2-hydroxyphenyl)ethanone oxime,Oc1ccccc1C(C)=NO,Oc1ccccc1C(C)=NO,"InChI=1/C8H9NO2/c1-6(9-11)7-4-2-3-5-8(7)10/h2-5,10-11H,1H3",C8H9NO2,,,,,,JZXBPZWZZOXDFB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.465,214-811-4,1196-30-1,3-hydroxy-N-methylpyridine-2-carboxamide,3-hydroxy-N-methylpyridine-2-carboxamide,CNC(=O)c1ncccc1O,CNC(=O)c1ncccc1O,"InChI=1/C7H8N2O2/c1-8-7(11)6-5(10)3-2-4-9-6/h2-4,10H,1H3,(H,8,11)",C7H8N2O2,,,,,,FGZZGTRXSOYHIF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.466,214-813-5,1196-31-2,(+)-isomenthone,2-isopropyl-5-methylcyclohexanone,CC(C)C1CCC(C)CC1=O,CC(C)C1CCC(C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,NFLGAXVYCFJBMK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.471,214-818-2,1197-18-8,Tranexamic acid,4-(aminomethyl)cyclohexanecarboxylic acid,NC[C@@H]1CC[C@H](CC1)C(O)=O,NC[C@@H]1CC[C@H](CC1)C(O)=O,"InChI=1/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)",C8H15NO2,,,,,,GYDJEQRTZSCIOI-LJGSYFOKSA-N,,,,,,,,,,,
100.013.474,214-821-9,1197-21-3,Phentermine hydrochloride,2-methyl-1-phenylpropan-2-amine hydrochloride,Cl.CC(C)(N)Cc1ccccc1,Cl.CC(C)(N)Cc1ccccc1,"InChI=1/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H",C10H15N.ClH,,,,,,NCAIGTHBQTXTLR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.479,214-827-1,1197-51-9,Benzylprop-1-yn-3-ylamine,N-benzylprop-2-yn-1-amine,C#CCNCc1ccccc1,C#CCNCc1ccccc1,"InChI=1/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2",C10H11N,,,,,,LDYBFSGEBHSTOQ-UHFFFAOYSA-N,Positive,ET140301|ET140302|ET140303|ET140304|ET140305|ET140306,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,91.0543:129.0699:146.0968|91.0543:129.0699:146.0966|91.0543:129.07:128.0622|91.0543:129.0701:128.0622|91.0543:65.0387:128.0623|91.0543:65.0387:128.0623,Eawag_Additional_Specs,,,,,
100.013.482,214-830-8,1198-27-2,2-hydroxy-1-naphthylammonium chloride,2-hydroxynaphthalen-1-aminium chloride,[Cl-].[NH3+]c1c(O)ccc2ccccc12,[Cl-].[NH3+]c1c(O)ccc2ccccc12,"InChI=1/C10H9NO.ClH/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;/h1-6,12H,11H2;1H",C10H9NO.ClH,,,,,,DEKREBCFNLUULC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.491,214-840-2,1199-01-5,2-phenyloxazol-5(4H)-one,"2-phenyl-1,3-oxazol-5(4H)-one",O=C1CN=C(O1)c2ccccc2,O=C1CN=C(O1)c2ccccc2,"InChI=1/C9H7NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h1-5H,6H2",C9H7NO2,,,,,,QKCKCXFWENOGER-UHFFFAOYSA-N,,,,,,,,,,,
100.010.171,211-187-5,632-92-8,"2,4,6-trinitro-m-xylene","2,4-dimethyl-1,3,5-trinitrobenzene",Cc1c(cc(c(C)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Cc1c(cc(c(C)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H7N3O6/c1-4-6(9(12)13)3-7(10(14)15)5(2)8(4)11(16)17/h3H,1-2H3",C8H7N3O6,,,,,,GGGVOOMKPJYWDF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.172,211-188-0,632-93-9,"Diethyl 1,4-dihydro-2,4,6-trimethylpyridine-3,5-dicarboxylate","diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(C)NC(=C(C1C)C(=O)OCC)C,CCOC(=O)C1=C(C)NC(=C(C1C)C(=O)OCC)C,"InChI=1/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3",C14H21NO4,,,,,,CDVAIHNNWWJFJW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.176,211-192-2,633-36-3,"Estra-1,3,5(10)-triene-3,17ß-diol bis(cyclopentanepropionate)","estra-1,3,5(10)-triene-3,17-diyl bis(3-cyclopentylpropanoate)",C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)CCC5CCCC5)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCC6CCCC6,C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)CCC5CCCC5)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCC6CCCC6,"InChI=1/C34H48O4/c1-34-21-20-28-27-15-13-26(37-32(35)18-10-23-6-2-3-7-23)22-25(27)12-14-29(28)30(34)16-17-31(34)38-33(36)19-11-24-8-4-5-9-24/h13,15,22-24,28-31H,2-12,14,16-21H2,1H3",C34H48O4,,,,,,PVDLDDBZCWVZBX-FTWOUWFXSA-N,,,,,,,,,,,
100.010.601,211-660-6,682-08-6,"1-(allyloxy)-2,2-bis[(allyloxy)methyl]butane","1-(allyloxy)-2,2-bis[(allyloxy)methyl]butane",CCC(COCC=C)(COCC=C)COCC=C,CCC(COCC=C)(COCC=C)COCC=C,"InChI=1/C15H26O3/c1-5-9-16-12-15(8-4,13-17-10-6-2)14-18-11-7-3/h5-7H,1-3,8-14H2,4H3",C15H26O3,,,,,,JPTSCQGFFOSLQE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.607,211-666-9,682-80-4,Demephion-O,dimethyl 2-(methylsulfanyl)ethyl phosphate,COP(=O)(OC)OCCSC,COP(=O)(OC)OCCSC,"InChI=1/C5H13O4PS/c1-7-10(6,8-2)9-4-5-11-3/h4-5H2,1-3H3",C5H13O3PS2,,,,,,HUIXUGXMQOWMIB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.608,211-667-4,683-08-9,Diethyl methylphosphonate,diethyl methylphosphonate,CCOP(=O)(C)OCC,CCOP(=O)(C)OCC,"InChI=1/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3",C5H13O3P,,,,,,NYYLZXREFNYPKB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.615,211-675-8,683-73-8,[2H4]ethylene,ethylene,C=C,C=C,InChI=1/C2H4/c1-2/h1-2H2,C2D4,,,,,,VGGSQFUCUMXWEO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.617,211-677-9,684-78-6,Trifluoroacetic trifluoroacetohydroxamic anhydride,"2,2,2-trifluoro-N-(2,2,2-trifluoroacetoxy)acetamide",FC(F)(F)C(=O)NOC(=O)C(F)(F)F,FC(F)(F)C(=O)NOC(=O)C(F)(F)F,"InChI=1/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12)",C4HF6NO3,,,,,,CYSAMXITKBXZOP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.621,211-682-6,685-73-4,D-galactopyranuronic acid,D-galactopyranuronic acid,O[C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1O)C(O)=O,O[C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1O)C(O)=O,"InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)",C6H10O7,,,,,,AEMOLEFTQBMNLQ-YMDCURPLSA-N,,,,,,,,,,,
100.011.500,212-649-9,836-43-1,p-benzyloxybenzyl chloride,1-(benzyloxy)-4-(chloromethyl)benzene,ClCc1ccc(OCc2ccccc2)cc1,ClCc1ccc(OCc2ccccc2)cc1,"InChI=1/C14H13ClO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2",C14H14O2,,,,,,UYQPSKUPEXAQRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.514,212-665-6,841-32-7,"2,2-diphenylvaleric acid","2,2-diphenylpentanoic acid",CCCC(C(=O)O)(c1ccccc1)c2ccccc2,CCCC(C(=O)O)(c1ccccc1)c2ccccc2,"InChI=1/C17H18O2/c1-2-13-17(16(18)19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,19)",C17H18O2,,,,,,IVYXLCYENQNVHM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.515,212-666-1,841-73-6,Bucolome,"5-butyl-1-cyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione",CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,"InChI=1/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)",C14H22N2O3,,,,,,DVEQCIBLXRSYPH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.517,212-668-2,842-07-9,1-phenylazo-2-naphthol,1-(phenyldiazenyl)-2-naphthol,Oc3ccc1ccccc1c3N=Nc2ccccc2,Oc3ccc1ccccc1c3N=Nc2ccccc2,"InChI=1/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H",C16H12N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18764,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.517,MRQIXHXHHPWVIL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.374,212-511-8,823-22-3,Tetrahydro-6-methyl-2H-pyran-2-one,6-methyltetrahydro-2H-pyran-2-one,CC1CCCC(=O)O1,CC1CCCC(=O)O1,"InChI=1/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3",C6H10O2,,,,,,RZTOWFMDBDPERY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.376,212-513-9,823-40-5,2-methyl-m-phenylenediamine,"2-methylbenzene-1,3-diamine",Cc1c(N)cccc1N,Cc1c(N)cccc1N,"InChI=1/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3",C7H10N2,,,,,,RLYCRLGLCUXUPO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.381,212-519-1,823-78-9,a-3-dibromotoluene,1-bromo-3-(bromomethyl)benzene,BrCc1cccc(Br)c1,BrCc1cccc(Br)c1,"InChI=1/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",C7H6Br2,,,,,,ZPCJPJQUVRIILS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.382,212-520-7,823-82-5,"Furan-2,5-dicarbaldehyde","furan-2,5-dicarbaldehyde",O=Cc1oc(C=O)cc1,O=Cc1oc(C=O)cc1,InChI=1/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H,C6H4O3,,,,,,PXJJKVNIMAZHCB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.391,212-530-1,824-46-4,2-methoxyhydroquinone,"2-methoxybenzene-1,4-diol",COc1cc(O)ccc1O,COc1cc(O)ccc1O,"InChI=1/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",C7H8O3,,,,,,LAQYHRQFABOIFD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.407,212-547-4,825-76-3,a-cyclopropylstyrene,(1-cyclopropylvinyl)benzene,C=C(C1CC1)c2ccccc2,C=C(C1CC1)c2ccccc2,"InChI=1/C11H12/c1-9(11-7-8-11)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2",C11H12,,,,,,VQBRSCDCSOKQHR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.410,212-551-6,825-94-5,Trichloro(p-chlorophenyl)silane,trichloro(4-chlorophenyl)silane,Clc1ccc(cc1)[Si](Cl)(Cl)Cl,Clc1ccc(cc1)[Si](Cl)(Cl)Cl,"InChI=1/C6H4Cl4Si/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H",C6H4Cl4Si,,,,,,ABADVTXFGWCNBV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.413,212-554-2,826-36-8,"2,2,6,6-tetramethyl-4-piperidone","2,2,6,6-tetramethylpiperidin-4-one",CC1(C)CC(=O)CC(C)(C)N1,CC1(C)CC(=O)CC(C)(C)N1,"InChI=1/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3",C9H17NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14410,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.413,JWUXJYZVKZKLTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.423,212-565-2,827-15-6,Pentafluoroiodobenzene,"1,2,3,4,5-pentafluoro-6-iodobenzene",Fc1c(F)c(F)c(I)c(F)c1F,Fc1c(F)c(F)c(I)c(F)c1F,InChI=1/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6F5I,,,,,,OPYHNLNYCRZOGY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.424,212-566-8,827-19-0,Sodium p-xylene-2-sulphonate,"sodium 2,5-dimethylbenzenesulfonate",[Na+].Cc1ccc(C)c(c1)S(=O)(=O)[O-],[Na+].Cc1ccc(C)c(c1)S(=O)(=O)[O-],"InChI=1/C8H10O3S.Na/c1-6-3-4-7(2)8(5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1",C8H10O3S.Na,,,,,,SDCULNUHRZODAC-UHFFFAOYSA-M,,,,,,,,,,,
100.010.217,211-238-1,635-51-8,Phenylsuccinic acid,2-phenylsuccinic acid,OC(=O)CC(C(=O)O)c1ccccc1,OC(=O)CC(C(=O)O)c1ccccc1,"InChI=1/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)",C10H10O4,,,,,,LVFFZQQWIZURIO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.221,211-242-3,635-90-5,1-phenylpyrrole,1-phenyl-1H-pyrrole,c1ccc(cc1)n2cccc2,c1ccc(cc1)n2cccc2,InChI=1/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H,C10H9N,,,,,,GEZGAZKEOUKLBR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.825,213-007-0,910-99-6,"17,21-dihydroxy-16ß-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate","17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H30O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,14,18,20,28H,5-6,10-11,13H2,1-4H3",C24H30O5,,,,,,AAPZMQVULRVUEU-NZDAKWCRSA-N,,,,,,,,,,,
100.011.828,213-010-7,911-76-2,(±)-N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]benzamide,N~2~-benzoyl-N-(4-nitrophenyl)argininamide,NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)N(=O)=O,NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)N(=O)=O,"InChI=1/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22)",C19H22N6O4,,,,,,RKDYKIHMFYAPMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.831,213-013-3,912-57-2,17ß-hydroxyestr-4-en-3-one 17-(3-cyclohexylpropionate),3-oxoestr-4-en-17-yl 3-cyclohexylpropanoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCC5CCCCC5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCC5CCCCC5,"InChI=1/C27H40O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h17-18,21-25H,2-16H2,1H3",C27H40O3,,,,,,TXLCJMHILCSZJG-QNTYDACNSA-N,,,,,,,,,,,
100.011.832,213-014-9,912-60-7,Noscapine hydrochloride,"6,7-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one hydrochloride",Cl.COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34,Cl.COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34,"InChI=1/C22H23NO7.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H",C22H23NO7.ClH,,,,,,MFLVZFXCSKVCSH-URBRKQAFSA-N,,,,,,,,,,,
100.011.833,213-015-4,913-04-2,DL-2-benzamido-5-guanidino-N-2-naphthylvaleramide hydrochloride,N~2~-benzoyl-N-2-naphthylargininamide,NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc2ccc3ccccc3c2,NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc2ccc3ccccc3c2,"InChI=1/C23H25N5O2/c24-23(25)26-14-6-11-20(28-21(29)17-8-2-1-3-9-17)22(30)27-19-13-12-16-7-4-5-10-18(16)15-19/h1-5,7-10,12-13,15,20H,6,11,14H2,(H,27,30)(H,28,29)(H4,24,25,26)",C23H25N5O2.ClH,,,,,,DEFAKPKFXYITPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.842,213-025-9,917-23-7,"5,10,15,20-tetraphenyl-21H,23H-porphine","5,10,15,20-tetraphenylporphine",C1=CC2=NC1=C(C3=NC(=C(C4=NC(=C(C5=NC(=C2c6ccccc6)C=C5)c7ccccc7)C=C4)c8ccccc8)C=C3)c9ccccc9,C1=CC2=NC1=C(C3=NC(=C(C4=NC(=C(C5=NC(=C2c6ccccc6)C=C5)c7ccccc7)C=C4)c8ccccc8)C=C3)c9ccccc9,InChI=1/C44H28N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28H,C44H30N4,,,,,,ASQZPNGAQXZRMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.845,213-029-0,917-58-8,Potassium ethanolate,potassium ethanolate,[K+].CC[O-],[K+].CC[O-],"InChI=1/C2H5O.K/c1-2-3;/h2H2,1H3;/q-1;+1",C2H6O.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16514,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.845,RPDAUEIUDPHABB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.852,213-036-9,917-93-1,2-chloro-2-methylpropionaldehyde,2-chloro-2-methylpropanal,CC(C)(Cl)C=O,CC(C)(Cl)C=O,"InChI=1/C4H7ClO/c1-4(2,5)3-6/h3H,1-2H3",C4H7ClO,,,,,,UJZCIPIWDBMTLY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.858,213-043-7,918-52-5,"2,2-dinitropropanol","2,2-dinitropropan-1-ol",CC(CO)([N+](=O)[O-])[N+](=O)[O-],CC(CO)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C3H6N2O5/c1-3(2-6,4(7)8)5(9)10/h6H,2H2,1H3",C3H6N2O5,,,,,,IPLRZPREFHIGIB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.867,213-053-1,920-25-2,Triglycine selenate,glycine - selenic acid (3:1),NCC(=O)O.NCC(=O)O.NCC(=O)O.O[Se](=O)(=O)O,NCC(=O)O.NCC(=O)O.NCC(=O)O.O[Se](=O)(=O)O,"InChI=1/3C2H5NO2.H2O4Se/c3*3-1-2(4)5;1-5(2,3)4/h3*1,3H2,(H,4,5);(H2,1,2,3,4)",C2H5NO2.1/3H2O4Se,,,,,,HRBFEKCMKAPZMW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.868,213-054-7,920-34-3,2-bromoacrylonitrile,2-bromoacrylonitrile,BrC(=C)C#N,BrC(=C)C#N,InChI=1/C3H2BrN/c1-3(4)2-5/h1H2,C3H2BrN,,,,,,CMPIGRYBIGUGTH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.869,213-055-2,920-37-6,2-chloroacrylonitrile,2-chloroacrylonitrile,ClC(=C)C#N,ClC(=C)C#N,InChI=1/C3H2ClN/c1-3(4)2-5/h1H2,C3H2ClN,,,,,,OYUNTGBISCIYPW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.871,213-057-3,920-42-3,[2H]formic [2]acid,formic acid,OC=O,OC=O,"InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)",CD2O2,,,,,,BDAGIHXWWSANSR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.873,213-059-4,920-66-1,"1,1,1,3,3,3-hexafluoropropan-2-ol","1,1,1,3,3,3-hexafluoropropan-2-ol",OC(C(F)(F)F)C(F)(F)F,OC(C(F)(F)F)C(F)(F)F,"InChI=1/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H",C3H2F6O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10316,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.873,BYEAHWXPCBROCE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.588,205-045-1,131-99-7,Inosine 5'-monophosphate,9-(5-O-phosphonato-beta-D-ribofuranosyl)-9H-purin-6-ol,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)([O-])[O-])n2cnc3c(O)ncnc23,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)([O-])[O-])n2cnc3c(O)ncnc23,"InChI=1/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/p-2",C10H13N4O8P,,,,,,GRSZFWQUAKGDAV-KQYNXXCUSA-L,,,,,,,,,,,
100.004.595,205-053-5,132-21-8,Dexbrompheniramine,"3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine",CN(C)CC[C@@H](c1ccc(Br)cc1)c2ccccn2,CN(C)CC[C@@H](c1ccc(Br)cc1)c2ccccn2,"InChI=1/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",C16H19BrN2,,,,,,ZDIGNSYAACHWNL-HNNXBMFYSA-N,,,,,,,,,,,
100.004.598,205-056-1,132-31-0,4-[[4-(dimethylamino)phenyl]imino]naphthalen-1(4H)-one,4-{[4-(dimethylamino)phenyl]imino}naphthalen-1(4H)-one,CN(C)c1ccc(cc1)N=C3\\C=C/C(=O)c2ccccc23,CN(C)c1ccc(cc1)N=C3\C=C/C(=O)c2ccccc23,"InChI=1/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3",C18H16N2O,,,,,,VRZJGENLTNRAIG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.602,205-060-3,132-37-6,"3,5-bis(ß-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride",3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-5-yl beta-D-glucopyranoside chloride,[Cl-].COc1cc(ccc1O)c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O,[Cl-].COc1cc(ccc1O)c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O,"InChI=1/C28H32O16.ClH/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27;/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32);1H",C28H33O16.Cl,,,,,,CKUIPFCNKLNKTF-CYUNEVMDSA-M,,,,,,,,,,,
100.004.603,205-061-9,132-43-4,Sodium2-[cyclohexyl(1-oxohexadecyl)amino]ethanesulphonate,sodium 2-[cyclohexyl(palmitoyl)amino]ethanesulfonate,CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O[Na])C1CCCCC1,CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O[Na])C1CCCCC1,"InChI=1/C24H47NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(26)25(21-22-30(27,28)29)23-18-15-14-16-19-23;/h23H,2-22H2,1H3,(H,27,28,29);/q;+1/p-1/rC24H46NNaO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)25(21-22-31(28,29)30-26)23-18-15-14-16-19-23/h23H,2-22H2,1H3",C24H47NO4S.Na,,,,,,VOXBATAAGDVURT-UHFFFAOYSA-M,,,,,,,,,,,
100.004.604,205-062-4,132-49-0,Magnesium o-acetylsalicylate,magnesium bis(2-acetoxybenzoate),[Mg+2].O=C(C)Oc1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1OC(C)=O,[Mg+2].O=C(C)Oc1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1OC(C)=O,"InChI=1/2C9H8O4.Mg/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2",C9H8O4.1/2Mg,,,,,,RBLKLJDYAHZCFW-UHFFFAOYSA-L,,,,,,,,,,,
100.004.607,205-066-6,132-57-0,7-hydroxynaphthalene-1-sulphonic acid,7-hydroxynaphthalene-1-sulfonic acid,Oc1ccc2cccc(c2c1)S(=O)(=O)O,Oc1ccc2cccc(c2c1)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14/h1-6,11H,(H,12,13,14)",C10H8O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12192,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.607,HUYJTJXLNBOVFO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.622,205-082-3,132-89-8,Chlorthenoxazine,"2-(2-chloroethyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one",ClCCC1NC(=O)c2ccccc2O1,ClCCC1NC(=O)c2ccccc2O1,"InChI=1/C10H10ClNO2/c11-6-5-9-12-10(13)7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2,(H,12,13)",C10H10ClNO2,,,,,,YEKMWXFHPZBZLR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.623,205-083-9,132-92-3,Meticillin sodium,"sodium 6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",[Na+].COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-],[Na+].COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-],"InChI=1/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/q;+1/p-1",C17H20N2O6S.Na,,,,,,MGFZNWDWOKASQZ-UMLIZJHQSA-M,,,,,,,,,,,
100.004.630,205-091-2,133-10-8,Sodium 4-aminosalicylate,sodium 4-amino-2-hydroxybenzoate,[Na+].Nc1ccc(C(=O)[O-])c(O)c1,[Na+].Nc1ccc(C(=O)[O-])c(O)c1,"InChI=1/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1",C7H7NO3.Na,,,,,,FVVDKUPCWXUVNP-UHFFFAOYSA-M,,,,,,,,,,,
100.004.632,205-093-3,133-13-1,Diethyl ethylmalonate,diethyl ethylmalonate,CCOC(=O)C(CC)C(=O)OCC,CCOC(=O)C(CC)C(=O)OCC,"InChI=1/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H3",C9H16O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17932,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.632,VQAZCUCWHIIFGE-UHFFFAOYSA-N,,,,,,,,,,,
100.004.635,205-097-5,133-17-5,Sodium 2-iodohippurate,sodium [(2-iodobenzoyl)amino]acetate,[Na+].[O-]C(=O)CNC(=O)c1ccccc1I,[Na+].[O-]C(=O)CNC(=O)c1ccccc1I,"InChI=1/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1",C9H8INO3.Na,,,,,,XYITYKDGJLHYPW-UHFFFAOYSA-M,,,,,,,,,,,
100.004.637,205-099-6,133-21-1,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-ol",OC1CC2CC1C3C=CCC23,OC1CC2CC1C3C=CCC23,"InChI=1/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-11H,2,4-5H2",C10H14O,,,,,,LDUKQFUHJZHLRC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.177,211-193-8,633-47-6,Cropropamide,N-[1-(dimethylcarbamoyl)propyl]-N-propylbut-2-enamide,CCCN(C(CC)C(=O)N(C)C)C(=O)C=CC,CCCN(C(CC)C(=O)N(C)C)C(=O)C=CC,"InChI=1/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3",C13H24N2O2,,,,,,CYZWCBZIBJLKCV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.178,211-194-3,633-59-0,4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazine-1-ethanol dihydrochloride,2-{4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazin-1-yl}ethanol dihydrochloride,Cl.Cl.OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(Cl)cc23,Cl.Cl.OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(Cl)cc23,"InChI=1/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H",C22H25ClN2OS.2ClH,,,,,,LPWNZMIBFHMYMX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.179,211-195-9,633-65-8,Berberine hydrochloride,-,Cl.COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,Cl.COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,"InChI=1/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;",C20H18NO4.Cl,,,,,,VKJGBAJNNALVAV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.187,211-205-1,634-21-9,1-ethyl-2-[(1-ethyl-4(1H)-quinolylidene)methyl]quinolinium iodide,1-ethyl-2-[(1-ethylquinolin-4(1H)-ylidene)methyl]quinolinium iodide,[I-].CC[n+]3c4ccccc4ccc3C=C2/C=C\\N(CC)c1ccccc12,[I-].CC[n+]3c4ccccc4ccc3C=C2/C=C\N(CC)c1ccccc12,"InChI=1/C23H23N2.HI/c1-3-24-16-15-19(21-10-6-8-12-23(21)24)17-20-14-13-18-9-5-7-11-22(18)25(20)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2.I,,,,,,MYKATFBGLTVMQX-UHFFFAOYSA-M,,,,,,,,,,,
100.010.196,211-215-6,634-67-3,"2,3,4-trichloroaniline","2,3,4-trichloroaniline",Nc1ccc(Cl)c(Cl)c1Cl,Nc1ccc(Cl)c(Cl)c1Cl,"InChI=1/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2",C6H4Cl3N,,,,,,RRJUYQOFOMFVQS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.197,211-216-1,634-83-3,"2,3,4,5-tetrachloroaniline","2,3,4,5-tetrachloroaniline",Nc1cc(Cl)c(Cl)c(Cl)c1Cl,Nc1cc(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2",C6H3Cl4N,,,,,,GBKZRUCVLTWAML-UHFFFAOYSA-N,,,,,,,,,,,
100.010.198,211-217-7,634-90-2,"1,2,3,5-tetrachlorobenzene","1,2,3,5-tetrachlorobenzene",Clc1cc(Cl)c(Cl)c(Cl)c1,Clc1cc(Cl)c(Cl)c(Cl)c1,InChI=1/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,C6H2Cl4,,,,,,QZYNWJQFTJXIRN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.199,211-218-2,634-91-3,"3,4,5-trichloroaniline","3,4,5-trichloroaniline",Nc1cc(Cl)c(Cl)c(Cl)c1,Nc1cc(Cl)c(Cl)c(Cl)c1,"InChI=1/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2",C6H4Cl3N,,,,,,XOGYQVITULCUGU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.203,211-222-4,635-03-0,"Tetraethyl propane-1,1,2,3-tetracarboxylate","tetraethyl propane-1,1,2,3-tetracarboxylate",CCOC(=O)CC(C(C(=O)OCC)C(=O)OCC)C(=O)OCC,CCOC(=O)CC(C(C(=O)OCC)C(=O)OCC)C(=O)OCC,"InChI=1/C15H24O8/c1-5-20-11(16)9-10(13(17)21-6-2)12(14(18)22-7-3)15(19)23-8-4/h10,12H,5-9H2,1-4H3",C15H24O8,,,,,,WGEVJRBJWMGTSI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.207,211-227-1,635-11-0,"1,2,4,5-tetraisopropylbenzene","1,2,4,5-tetraisopropylbenzene",CC(C)c1cc(C(C)C)c(cc1C(C)C)C(C)C,CC(C)c1cc(C(C)C)c(cc1C(C)C)C(C)C,"InChI=1/C18H30/c1-11(2)15-9-17(13(5)6)18(14(7)8)10-16(15)12(3)4/h9-14H,1-8H3",C18H30,,,,,,ROXLYQQDLJJEBE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.209,211-229-2,635-20-1,"Menthol, triester with orthoboric acid",tris(2-isopropyl-5-methylcyclohexyl) borate,CC(C)C1CCC(C)CC1OB(OC2CC(C)CCC2C(C)C)OC3CC(C)CCC3C(C)C,CC(C)C1CCC(C)CC1OB(OC2CC(C)CCC2C(C)C)OC3CC(C)CCC3C(C)C,"InChI=1/C30H57BO3/c1-19(2)25-13-10-22(7)16-28(25)32-31(33-29-17-23(8)11-14-26(29)20(3)4)34-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3",C30H57BO3,,,,,,APDCUDTVQNGARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.213,211-233-4,635-32-5,3-methyl-2-phenylvaleroyl 1-methyl-4-piperidyl fumarate,3-methyl-2-phenylpentanoic 4-[(1-methylpiperidin-4-yl)oxy]-4-oxobut-2-enoic anhydride,CCC(C)C(C(=O)OC(=O)\\C=C\\C(=O)OC1CCN(C)CC1)c2ccccc2,CCC(C)C(C(=O)OC(=O)\C=C\C(=O)OC1CCN(C)CC1)c2ccccc2,"InChI=1/C22H29NO5/c1-4-16(2)21(17-8-6-5-7-9-17)22(26)28-20(25)11-10-19(24)27-18-12-14-23(3)15-13-18/h5-11,16,18,21H,4,12-15H2,1-3H3",C18H27NO2.C4H4O4,,,,,,NSUBNYZSJGLUCC-ZHACJKMWSA-N,,,,,,,,,,,
100.010.216,211-237-6,635-46-1,"1,2,3,4-tetrahydroquinoline","1,2,3,4-tetrahydroquinoline",C1CNc2ccccc2C1,C1CNc2ccccc2C1,"InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2",C9H11N,,,,,,LBUJPTNKIBCYBY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.826,213-008-6,911-45-5,Clomifene,"2-[4-(2-chloro-1,2-diphenylvinyl)phenoxy]-N,N-diethylethanamine",CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC,CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC,"InChI=1/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3",C26H28ClNO,,,,,,GKIRPKYJQBWNGO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.830,213-012-8,912-38-9,"9ß,11ß-epoxy-17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-acetate","17-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h7-8,10,13,17-18,20,28H,5-6,9,11-12H2,1-4H3",C24H30O6,,,,,,MONKXVNQUJNHLQ-LGLNQOIUSA-N,,,,,,,,,,,
100.011.426,212-568-9,827-27-0,Sodium hydrogen phthalate,hydrogen sodium phthalate,[Na+].[O-]C(=O)c1ccccc1C(=O)[O-],[Na+].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-2",C8H6O4.Na,,,,,,IZUPJOYPPLEPGM-UHFFFAOYSA-L,,,,,,,,,,,
100.012.213,213-434-2,948-03-8,Methyl 1-hydroxy-2-naphthoate,methyl 1-hydroxy-2-naphthoate,COC(=O)c1ccc2ccccc2c1O,COC(=O)c1ccc2ccccc2c1O,"InChI=1/C12H10O3/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7,13H,1H3",C12H10O3,,,,,,HMIBDRSTVGFJPB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.226,213-448-9,950-33-4,"1,1-dimethoxycyclododecane","1,1-dimethoxycyclododecane",COC1(CCCCCCCCCCC1)OC,COC1(CCCCCCCCCCC1)OC,"InChI=1/C14H28O2/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3",C14H28O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18367,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.226,XXNCXSHVDVCRKB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.227,213-449-4,950-37-8,Methidathion,"S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl dithiophosphate",COC1=NN(CSP(=S)(OC)OC)C(=O)S1,COC1=NN(CSP(=S)(OC)OC)C(=O)S1,"InChI=1/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3",C6H11N2O4PS3,,,,,,MEBQXILRKZHVCX-UHFFFAOYSA-N,Positive,EQ309601|EQ309602|EQ309603|EQ309604|EQ309605|EQ309606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,145.0067:85.0396:71.0239|85.0396:145.0067:71.024|85.0396:71.024:58.0288|85.0396:71.024:58.0288|58.0288:85.0396:71.024|58.0288:85.0397:71.024,Eawag,,,,,
100.012.240,213-464-6,953-35-5,"Thiocyanic acid, compound with (4S-trans)-3,4-dimethyl-5-phenylthiazolidin-2-imine (1:1)","3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine thiocyanate",C[C@H]1[C@@H](SC(=N)N1C)c2ccccc2.SC#N,C[C@H]1[C@@H](SC(=N)N1C)c2ccccc2.SC#N,"InChI=1/C11H14N2S.CHNS/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9;2-1-3/h3-8,10,12H,1-2H3;3H",C11H14N2S.CHNS,,,,,,WNDFVBQJYJRMQO-KXNXZCPBSA-N,,,,,,,,,,,
100.012.241,213-465-1,953-74-2,"5-(3,4-dihydroxybenzyl)-5-methylhydantoin","5-(3,4-dihydroxybenzyl)-5-methylimidazolidine-2,4-dione",CC1(Cc2ccc(O)c(O)c2)NC(=O)NC1=O,CC1(Cc2ccc(O)c(O)c2)NC(=O)NC1=O,"InChI=1/C11H12N2O4/c1-11(9(16)12-10(17)13-11)5-6-2-3-7(14)8(15)4-6/h2-4,14-15H,5H2,1H3,(H2,12,13,16,17)",C11H12N2O4,,,,,,DKUBQWNEJMFLFD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.245,213-469-3,954-07-4,1-methylanthraquinone,"1-methyl-9,10-anthraquinone",Cc1cccc2C(=O)c3ccccc3C(=O)c12,Cc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C15H10O2/c1-9-5-4-8-12-13(9)15(17)11-7-3-2-6-10(11)14(12)16/h2-8H,1H3",C15H10O2,,,,,,RBGUKBSLNOTVCD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.251,213-476-1,956-04-7,4-chlorochalcone,3-(4-chlorophenyl)-1-phenylprop-2-en-1-one,Clc1ccc(\\C=C\\C(=O)c2ccccc2)cc1,Clc1ccc(\C=C\C(=O)c2ccccc2)cc1,InChI=1/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H,C15H11ClO,,,,,,ABGIIXRNMHUKII-DHZHZOJOSA-N,,,,,,,,,,,
100.012.252,213-477-7,956-09-2,6-benzamidohexanoic acid,6-(benzoylamino)hexanoic acid,OC(=O)CCCCCNC(=O)c1ccccc1,OC(=O)CCCCCNC(=O)c1ccccc1,"InChI=1/C13H17NO3/c15-12(16)9-5-2-6-10-14-13(17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,17)(H,15,16)",C13H17NO3,,,,,,LFCIOBCYMAQQBT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.253,213-478-2,956-30-9,o-amino-N-(2-chloro-3-pyridyl)benzamide,2-amino-N-(2-chloropyridin-3-yl)benzamide,Nc1ccccc1C(=O)Nc2cccnc2Cl,Nc1ccccc1C(=O)Nc2cccnc2Cl,"InChI=1/C12H10ClN3O/c13-11-10(6-3-7-15-11)16-12(17)8-4-1-2-5-9(8)14/h1-7H,14H2,(H,16,17)",C12H10ClN3O,,,,,,WGPYXKVYVYAEIM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.255,213-480-3,956-89-8,"3,3-diphenyldihydrofuran-2(3H)-one","3,3-diphenyldihydrofuran-2(3H)-one",O=C1OCCC1(c2ccccc2)c3ccccc3,O=C1OCCC1(c2ccccc2)c3ccccc3,"InChI=1/C16H14O2/c17-15-16(11-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2",C16H14O2,,,,,,IRQJWIUKHLVISG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.795,211-872-9,703-23-1,1-(2-hydroxy-6-methoxyphenyl)ethan-1-one,1-(2-hydroxy-6-methoxyphenyl)ethanone,COc1cccc(O)c1C(=O)C,COc1cccc(O)c1C(=O)C,"InChI=1/C9H10O3/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3",C9H10O3,,,,,,UENLHUMCIOWYQN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.806,211-884-4,705-29-3,"a'-chloro-a,a,a-trifluoro-m-xylene",1-(chloromethyl)-3-(trifluoromethyl)benzene,FC(F)(F)c1cccc(CCl)c1,FC(F)(F)c1cccc(CCl)c1,"InChI=1/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2",C8H6ClF3,,,,,,XGASTRVQNVVYIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.811,211-890-7,706-03-6,3-(benzylamino)propionitrile,3-(benzylamino)propanenitrile,N#CCCNCc1ccccc1,N#CCCNCc1ccccc1,"InChI=1/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2",C10H12N2,,,,,,MWTGBAURSCEGSL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.817,211-897-5,707-07-3,Trimethyl orthobenzoate,(trimethoxymethyl)benzene,COC(OC)(OC)c1ccccc1,COC(OC)(OC)c1ccccc1,"InChI=1/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14O3,,,,,,IECKAVQTURBPON-UHFFFAOYSA-N,,,,,,,,,,,
100.010.821,211-902-0,708-06-5,2-hydroxy-1-naphthaldehyde,2-hydroxy-1-naphthaldehyde,Oc1ccc2ccccc2c1C=O,Oc1ccc2ccccc2c1C=O,"InChI=1/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H",C11H8O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16591,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.821,NTCCNERMXRIPTR-UHFFFAOYSA-N,Positive/Negative,UA001303,[M+H]+,CID35,145.0657:155.0614:117.0705,UFZ_Additional_Specs,UA001304,[M-H]-,CID35,143.0502:171.0446,UFZ_Additional_Specs
100.010.826,211-907-8,709-24-0,1-(4-fluorophenyl)pentan-1-one,1-(4-fluorophenyl)pentan-1-one,CCCCC(=O)c1ccc(F)cc1,CCCCC(=O)c1ccc(F)cc1,"InChI=1/C11H13FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3",C11H13FO,,,,,,HBJRRAMFTUDWMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.793,214-071-2,1077-28-7,5-(dithiolan-3-yl)valeric acid,"5-(1,2-dithiolan-3-yl)pentanoic acid",OC(=O)CCCCC1CCSS1,OC(=O)CCCCC1CCSS1,"InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)",C8H14O2S2,,,,,,AGBQKNBQESQNJD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.800,214-079-6,1078-21-3,4-amino-3-phenylbutyric acid,4-amino-3-phenylbutanoic acid,NCC(CC(=O)O)c1ccccc1,NCC(CC(=O)O)c1ccccc1,"InChI=1/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",C10H13NO2,,,,,,DAFOCGYVTAOKAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.803,214-082-2,1078-58-6,Diphenylzinc,diphenylzinc,[Zn](c1ccccc1)c2ccccc2,[Zn](c1ccccc1)c2ccccc2,InChI=1/2C6H5.Zn/c2*1-2-4-6-5-3-1;/h2*1-5H;/rC12H10Zn/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,C12H10Zn,,,,,,MKRVHLWAVKJBFN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.805,214-084-3,1078-71-3,Heptylbenzene,heptylbenzene,CCCCCCCc1ccccc1,CCCCCCCc1ccccc1,"InChI=1/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3",C13H20,,,,,,LBNXAWYDQUGHGX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.809,214-089-0,1079-02-3,(2H5)benzoic acid,"2,3,4,5,6-pentadeuteriobenzoic acid",[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O)[2H])[2H],[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O)[2H])[2H],"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D",C7HD5O2,,,,,,WPYMKLBDIGXBTP-RALIUCGRSA-N,,,,,,,,,,,
100.012.814,214-094-8,1079-71-6,"1,2,3,4,5,6,7,8-octahydroanthracene","1,2,3,4,5,6,7,8-octahydroanthracene",C1CCc2cc3CCCCc3cc2C1,C1CCc2cc3CCCCc3cc2C1,"InChI=1/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h9-10H,1-8H2",C14H18,,,,,,LFAYMJXHGYUQNV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.822,214-104-0,1082-35-5,6-amino-N-methylnaphthalene-1-sulphonamide,6-amino-N-methylnaphthalene-1-sulfonamide,CNS(=O)(=O)c1cccc2cc(N)ccc12,CNS(=O)(=O)c1cccc2cc(N)ccc12,"InChI=1/C11H12N2O2S/c1-13-16(14,15)11-4-2-3-8-7-9(12)5-6-10(8)11/h2-7,13H,12H2,1H3",C11H12N2O2S,,,,,,NBMZMEKMHLTRPM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.825,214-107-7,1083-41-6,"Butyl 3,4,5-trihydroxybenzoate","butyl 3,4,5-trihydroxybenzoate",CCCCOC(=O)c1cc(O)c(O)c(O)c1,CCCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3",C11H14O5,,,,,,XOPOEBVTQYAOSV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.827,214-109-8,1083-57-4,Bucetin,N-(4-ethoxyphenyl)-3-hydroxybutanamide,CCOc1ccc(NC(=O)CC(C)O)cc1,CCOc1ccc(NC(=O)CC(C)O)cc1,"InChI=1/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)",C12H17NO3,,,,,,LIAWQASKBFCRNR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.830,214-112-4,1084-65-7,Meticrane,"6-methylthiochromane-7-sulfonamide 1,1-dioxide",Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N,Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N,"InChI=1/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)",C10H13NO4S2,,,,,,FNQQBFNIYODEMB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.836,214-119-2,1086-02-8,Pyridinitril,"2,6-dichloro-4-phenylpyridine-3,5-dicarbonitrile",Clc1nc(Cl)c(C#N)c(c2ccccc2)c1C#N,Clc1nc(Cl)c(C#N)c(c2ccccc2)c1C#N,InChI=1/C13H5Cl2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H,C13H5Cl2N3,,,,,,OVZITGHGWBXFEA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.837,214-120-8,1086-80-2,"7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione","7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione",Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C,Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C,"InChI=1/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)",C12H10N4O2,,,,,,ZJTJUVIJVLLGSP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.360,210-294-4,612-15-7,o-vinylanisole,1-methoxy-2-vinylbenzene,COc1ccccc1C=C,COc1ccccc1C=C,"InChI=1/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3",C9H10O,,,,,,SFBTTWXNCQVIEC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.363,210-298-6,612-20-4,2-(hydroxymethyl)benzoic acid,2-(hydroxymethyl)benzoic acid,OCc1ccccc1C(=O)O,OCc1ccccc1C(=O)O,"InChI=1/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)",C8H8O3,,,,,,MGMNPSAERQZUIM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.369,210-304-7,612-34-0,2-[(2-aminobenzoyl)amino]benzoic acid,2-[(2-aminobenzoyl)amino]benzoic acid,Nc1ccccc1C(=O)Nc2ccccc2C(=O)O,Nc1ccccc1C(=O)Nc2ccccc2C(=O)O,"InChI=1/C14H12N2O3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)",C14H12N2O3,,,,,,FECNOIODIVNEKI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.371,210-306-8,612-36-2,2-nitro-N-(4-nitrophenyl)aniline,2-nitro-N-(4-nitrophenyl)aniline,[O-][N+](=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1,"InChI=1/C12H9N3O4/c16-14(17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15(18)19/h1-8,13H",C12H9N3O4,,,,,,TXJIDOLTOGSNPD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.374,210-309-4,612-41-9,o-nitrocinnamic acid,3-(2-nitrophenyl)acrylic acid,OC(=O)\\C=C\\c1ccccc1[N+](=O)[O-],OC(=O)\C=C\c1ccccc1[N+](=O)[O-],"InChI=1/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)",C9H7NO4,,,,,,BBQDLDVSEDAYAA-AATRIKPKSA-N,,,,,,,,,,,
100.009.376,210-312-0,612-45-3,4'-methyl-2'-nitroacetanilide,N-(4-methyl-2-nitrophenyl)acetamide,CC(=O)Nc1ccc(C)cc1[N+](=O)[O-],CC(=O)Nc1ccc(C)cc1[N+](=O)[O-],"InChI=1/C9H10N2O3/c1-6-3-4-8(10-7(2)12)9(5-6)11(13)14/h3-5H,1-2H3,(H,10,12)",C9H10N2O3,,,,,,LQZGUJSFLJIJKA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.645,205-108-3,133-51-7,"1-deoxy-1-(methylamino)-D-glucitol, compound with antimonic acid (1:1)",antimonic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1),CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O[Sb](=O)(O)O,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O[Sb](=O)(O)O,"InChI=1/C7H17NO5.3H2O.O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;;/h4-13H,2-3H2,1H3;3*1H2;;/q;;;;;+3/p-3/rC7H17NO5.H3O4Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;1-5(2,3)4/h4-13H,2-3H2,1H3;(H3,1,2,3,4)",C7H17NO5.H.O3Sb,,,,,,UVSOMUCYKCLPNG-OVHUINQISA-K,,,,,,,,,,,
100.004.653,205-117-2,133-66-4,"Disodium 4,4'-bis[(4,6-dianilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc4ccccc4)n2)ccc1\\C=C\\c5ccc(Nc6nc(Nc7ccccc7)nc(Nc8ccccc8)n6)cc5S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc4ccccc4)n2)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(Nc8ccccc8)n6)cc5S(=O)(=O)[O-],"InChI=1/C44H36N12O6S2.2Na/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34;;/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;/q;2*+1/p-2",C44H36N12O6S2.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5392,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.653,HOSFCSQXJQXSIQ-ZPZFBZIMSA-L,,,,,,,,,,,
100.004.668,205-134-5,134-25-8,"2,4-dichloro-1-(dichloromethyl)benzene","2,4-dichloro-1-(dichloromethyl)benzene",ClC(Cl)c1ccc(Cl)cc1Cl,ClC(Cl)c1ccc(Cl)cc1Cl,"InChI=1/C7H4Cl4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H",C7H4Cl4,,,,,,AQVKVGOTPBBVMS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.682,205-149-7,134-62-3,"N,N-diethyl-m-toluamide","N,N-diethyl-3-methylbenzamide",CCN(CC)C(=O)c1cccc(C)c1,CCN(CC)C(=O)c1cccc(C)c1,"InChI=1/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",C12H17NO,,,,,,MMOXZBCLCQITDF-UHFFFAOYSA-N,Positive,AU335301|AU335302|AU335303|AU335304;SM879706;EA021301|EA021302|EA021303|EA021304|EA021305|EA021306|EA021307|EA021308|EA021309|EA021310|EA021311|EA021312|EA021313|EA021314;TUE00311|TUE00312|TUE00313;UF417601|UF417602|UF417603|UF417604|UF417633|UF417634|UF417635|UF417636,[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID40|CID40;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55|HCD55|HCD80|CID35|CID55,192.1379:193.1411:119.0484|119.0486:192.1379:193.1411|119.0485:120.0515:192.1374|119.0485:118.0645:120.0513;119.0491:192.1383:100.0757;119.0494:192.1387:100.0758|192.1385:119.0486|192.1386:119.0492:72.0444|119.0492:192.1385:100.0757|119.0493:192.1377:91.0543|119.0492:91.0543:119.0605|91.0543:119.0493:119.0605|192.1385:119.0491:176.1072|192.1384:119.0492:100.0757|119.0493:192.1385:72.0444|119.0492:192.1384:91.0543|119.0492:91.0543:119.0604|91.0543:119.0492:119.0604|119.0492:192.1383:100.0757;192.1385:119.0491:91.0542|119.0491:91.0543:72.0446|91.0542:65.0388:44.0128;119.0494:192.1389:91.0545|119.0494:91.0544:109.0651|119.0494:192.1388:100.076|119.0494:100.076:91.0545|77.0386:105.0446:95.049|77.0386:105.0446:95.049|77.0386:105.0447|77.0386:105.0448,Athens_Univ;CASMI_2016;Eawag;Env_Anal_Chem_U_Tuebingen;UFZ,,,,,
100.004.683,205-150-2,134-63-4,Lobeline hydrochloride,2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone hydrochloride,Cl.CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3,Cl.CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3,"InChI=1/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H",C22H27NO2.ClH,,,,,,MKMYPTLXLWOUSO-NFQNBQCWSA-N,,,,,,,,,,,
100.004.688,205-156-5,134-80-5,Amfepramone hydrochloride,2-(diethylamino)-1-phenylpropan-1-one hydrochloride,Cl.CCN(CC)C(C)C(=O)c1ccccc1,Cl.CCN(CC)C(C)C(=O)c1ccccc1,"InChI=1/C13H19NO.ClH/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H",C13H19NO.ClH,,,,,,ICFXZZFWRWNZMA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.690,205-158-6,134-83-8,"a,4-dichloro-a-phenyltoluene",1-chloro-4-[chloro(phenyl)methyl]benzene,ClC(c1ccccc1)c2ccc(Cl)cc2,ClC(c1ccccc1)c2ccc(Cl)cc2,"InChI=1/C13H10Cl2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H",C13H10Cl2,,,,,,ALKWTKGPKKAZMN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.800,205-279-4,137-09-7,4-hydroxy-m-phenylenediammonium dichloride,"2,4-diaminophenol dihydrochloride",Cl.Cl.Nc1ccc(O)c(N)c1,Cl.Cl.Nc1ccc(O)c(N)c1,"InChI=1/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H",C6H8N2O.2ClH,,,,,,KQEIJFWAXDQUPR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.815,205-296-7,137-48-4,4-chloro-N-methyl-3-nitrobenzenesulphonamide,4-chloro-N-methyl-3-nitrobenzenesulfonamide,CNS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],CNS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C7H7ClN2O4S/c1-9-15(13,14)5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3",C7H7ClN2O4S,,,,,,UMNGEAKUUOJPAX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.819,205-300-7,137-52-0,5'-chloro-3-hydroxy-2'-methoxy-2-naphthanilide,N-(5-chloro-2-methoxyphenyl)-3-hydroxy-2-naphthamide,COc1ccc(Cl)cc1NC(=O)c2cc3ccccc3cc2O,COc1ccc(Cl)cc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C18H14ClNO3/c1-23-17-7-6-13(19)10-15(17)20-18(22)14-8-11-4-2-3-5-12(11)9-16(14)21/h2-10,21H,1H3,(H,20,22)",C18H14ClNO3,,,,,,WWXPGBMLOCYWLD-UHFFFAOYSA-N,,,,,,,,,,,
100.004.820,205-301-2,137-53-1,Dextrothyroxine sodium,"sodium 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate",[Na+].N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-],[Na+].N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-],"InChI=1/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1",C15H11I4NO4.Na,,,,,,YDTFRJLNMPSCFM-UTONKHPSSA-M,,,,,,,,,,,
100.004.826,205-308-0,137-89-3,Bis(2-ethylhexyl) isophthalate,bis(2-ethylhexyl) isophthalate,CCCCC(CC)COC(=O)c1cccc(c1)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)c1cccc(c1)C(=O)OCC(CC)CCCC,"InChI=1/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3",C24H38O4,,,,,,WXZOXVVKILCOPG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.828,205-310-1,137-99-5,"2,4-dinonylphenol","2,4-dinonylphenol",CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1,CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1,"InChI=1/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3",C24H42O,,,,,,FDAJTLLBHNHECW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.830,205-312-2,138-08-9,2-dihydroxyphosphinoyloxyacrylic acid,2-(phosphonooxy)acrylic acid,OC(=O)C(=C)OP(=O)(O)O,OC(=O)C(=C)OP(=O)(O)O,"InChI=1/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)",C3H5O6P,,,,,,DTBNBXWJWCWCIK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.834,213-017-5,914-00-1,Metacycline,"4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,"InChI=1/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)",C22H22N2O8,,,,,,MHIGBKBJSQVXNH-IWVLMIASSA-N,,,,,,,,,,,
100.011.838,213-021-7,915-35-5,12-oxo-5-a-spirostan-3-ß-yl acetate,"4a,6a,7-trimethyl-6-oxodocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-pyran]-2-yl acetate",CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC(=O)C)OC16CCCCO6,CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC(=O)C)OC16CCCCO6,"InChI=1/C28H42O5/c1-16-25-23(33-28(16)10-5-6-12-31-28)14-22-20-8-7-18-13-19(32-17(2)29)9-11-26(18,3)21(20)15-24(30)27(22,25)4/h16,18-23,25H,5-15H2,1-4H3",C29H44O5,,,,,,LQHPUHRUAHGURO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.843,213-026-4,917-54-4,Methyllithium,methyllithium,[Li]C,[Li]C,InChI=1/CH3.Li/h1H3;/rCH3Li/c1-2/h1H3,CH3Li,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10590,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.843,DVSDBMFJEQPWNO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.844,213-028-5,917-57-7,Vinyllithium,vinyllithium,[Li]C=C,[Li]C=C,"InChI=1/C2H3.Li/c1-2;/h1H,2H2;/rC2H3Li/c1-2-3/h2H,1H2",C2H3Li,,,,,,PGOLTJPQCISRTO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.846,213-030-6,917-61-3,Sodium cyanate,sodium cyanate,[Na+].[O-]C#N,[Na+].[O-]C#N,InChI=1/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1,CHNO.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14588,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.846,ZVCDLGYNFYZZOK-UHFFFAOYSA-M,,,,,,,,,,,
100.011.847,213-031-1,917-64-6,Iodomethylmagnesium,(iodomethyl)magnesium(1+),[Mg+]CI,[Mg+]CI,InChI=1/CH2I.Mg/c1-2;/h1H2;/q;+1/rCH2IMg/c2-1-3/h1H2/q+1,CH3IMg,,,,,,JIDLVIKBSXFETD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.848,213-032-7,917-65-7,Methylaluminium dichloride,methylaluminum(2+) dichloride,[Cl-].[Cl-].C[Al+2],[Cl-].[Cl-].C[Al+2],InChI=1/CH3.Al.2ClH/h1H3;;2*1H/q;+2;;/p-2/rCH3Al.2ClH/c1-2;;/h1H3;2*1H/q+2;;/p-2,CH3AlCl2,,,,,,YSTQWZZQKCCBAY-UHFFFAOYSA-L,,,,,,,,,,,
100.011.854,213-039-5,918-05-8,"N,N-dimethylmethanesulphonamide","N,N-dimethylmethanesulfonamide",CN(C)S(=O)(=O)C,CN(C)S(=O)(=O)C,"InChI=1/C3H9NO2S/c1-4(2)7(3,5)6/h1-3H3",C3H9NO2S,,,,,,WCFDSGHAIGTEKL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.855,213-040-0,918-07-0,"2-chloro-2,3,3-trimethylbutane","2-chloro-2,3,3-trimethylbutane",CC(C)(C)C(C)(C)Cl,CC(C)(C)C(C)(C)Cl,"InChI=1/C7H15Cl/c1-6(2,3)7(4,5)8/h1-5H3",C7H15Cl,,,,,,IFMWWVGVDOTBNN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.856,213-041-6,918-20-7,[2H9]-tert-butyl chloride,2-chloro-2-methylpropane,CC(C)(C)Cl,CC(C)(C)Cl,"InChI=1/C4H9Cl/c1-4(2,3)5/h1-3H3",C4ClD9,,,,,,NBRKLOOSMBRFMH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.861,213-046-3,919-28-8,(acetoxy)trioctylstannane,acetoxy(trioctyl)stannane,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)C,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)C,"InChI=1/3C8H17.C2H4O2.Sn/c3*1-3-5-7-8-6-4-2;1-2(3)4;/h3*1,3-8H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1/rC26H54O2Sn/c1-5-8-11-14-17-20-23-29(28-26(4)27,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3",C26H54O2Sn,,,,,,HJNBKKMVQZKRNU-UHFFFAOYSA-M,,,,,,,,,,,
100.011.862,213-047-9,919-29-9,"1,1,1-triethoxypentane","1,1,1-triethoxypentane",CCCCC(OCC)(OCC)OCC,CCCCC(OCC)(OCC)OCC,"InChI=1/C11H24O3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h5-10H2,1-4H3",C11H24O3,,,,,,DIKAUBKIDNXNNW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.870,213-056-8,920-39-8,Bromo(1-methylethyl)magnesium,bromo(isopropyl)magnesium,CC(C)[Mg]Br,CC(C)[Mg]Br,"InChI=1/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1/rC3H7BrMg/c1-3(2)5-4/h3H,1-2H3",C3H7BrMg,,,,,,UCJIVFREPMUZDC-UHFFFAOYSA-M,,,,,,,,,,,
100.011.874,213-061-5,920-68-3,"N,1,1,1-tetramethyl-N-(trimethylsilyl)silylamine","N,1,1,1-tetramethyl-N-(trimethylsilyl)silanamine",CN([Si](C)(C)C)[Si](C)(C)C,CN([Si](C)(C)C)[Si](C)(C)C,"InChI=1/C7H21NSi2/c1-8(9(2,3)4)10(5,6)7/h1-7H3",C7H21NSi2,,,,,,ZSMNRKGGHXLZEC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.789,214-067-0,1076-95-5,2-(4-methoxyphenyl)-2-oxoacetaldehyde,(4-methoxyphenyl)(oxo)acetaldehyde,COc1ccc(cc1)C(=O)C=O,COc1ccc(cc1)C(=O)C=O,"InChI=1/C9H8O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-6H,1H3",C9H8O3,,,,,,LNZBSIXPXJKKDF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.790,214-068-6,1076-97-7,"Cyclohexane-1,4-dicarboxylic acid","cyclohexane-1,4-dicarboxylic acid",OC(=O)C1CCC(CC1)C(=O)O,OC(=O)C1CCC(CC1)C(=O)O,"InChI=1/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)",C8H12O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12288,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.790,PXGZQGDTEZPERC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.802,214-081-7,1078-31-5,o-[(trimethylsilyl)oxy]benzaldehyde,2-[(trimethylsilyl)oxy]benzaldehyde,C[Si](C)(C)Oc1ccccc1C=O,C[Si](C)(C)Oc1ccccc1C=O,"InChI=1/C10H14O2Si/c1-13(2,3)12-10-7-5-4-6-9(10)8-11/h4-8H,1-3H3",C10H14O2Si,,,,,,GMQJTDJLZSIFQG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.830,211-912-5,709-60-4,3-acetylbenzenesulphonyl fluoride,3-acetylbenzenesulfonyl fluoride,CC(=O)c1cccc(c1)S(=O)(=O)F,CC(=O)c1cccc(c1)S(=O)(=O)F,"InChI=1/C8H7FO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3",C8H7FO3S,,,,,,NEVFJPDNDDMQGD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.832,211-914-6,709-98-8,Propanil,"N-(3,4-dichlorophenyl)propanamide",CCC(=O)Nc1ccc(Cl)c(Cl)c1,CCC(=O)Nc1ccc(Cl)c(Cl)c1,"InChI=1/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)",C9H9Cl2NO,,,,,,LFULEKSKNZEWOE-UHFFFAOYSA-N,Positive/Negative,SM848402;EQ305101|EQ305102|EQ305103|EQ305104|EQ305105|EQ305106,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,161.9871:218.0134:127.0183;218.0135:161.9872:127.0182|161.9872:218.0135:127.0183|161.9873:127.0184:218.0135|127.0184:161.9872:57.0336|127.0184:161.9873:57.0336|127.0184:161.9872:57.0336,CASMI_2016;Eawag,SM848453;EQ305151|EQ305152|EQ305153|EQ305154|EQ305155|EQ305156,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,215.9987:159.9726:123.9954;215.9987:159.9726:160.9566|215.9987:159.9726:123.9958|159.9726:215.9987:123.9959|159.9726:215.9988:123.9959|159.9726:123.9959:215.9989|159.9726:123.9959:88.0193,CASMI_2016;Eawag
100.010.835,211-917-2,710-14-5,2-(tetrahydrofurfuryloxy)tetrahydropyran,2-(tetrahydrofuran-2-ylmethoxy)tetrahydro-2H-pyran,C(OC1CCCCO1)C2CCCO2,C(OC1CCCCO1)C2CCCO2,"InChI=1/C10H18O3/c1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h9-10H,1-8H2",C10H18O3,,,,,,XXNUDHUOMVIIFN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.841,211-924-0,712-61-8,"2,2'-dimethyl-4,4'-bipyridine","2,2'-dimethyl-4,4'-bipyridine",Cc1cc(ccn1)c2ccnc(C)c2,Cc1cc(ccn1)c2ccnc(C)c2,"InChI=1/C12H12N2/c1-9-7-11(3-5-13-9)12-4-6-14-10(2)8-12/h3-8H,1-2H3",C12H12N2,,,,,,WSTOEGIEWBZMLU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.521,212-672-4,842-18-2,"Dipotassium 7-hydroxynaphthalene-1,3-disulphonate","dipotassium 7-hydroxynaphthalene-1,3-disulfonate",[K+].[K+].Oc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].[K+].Oc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2K,,,,,,LKDMVWRBMGEEGR-UHFFFAOYSA-L,,,,,,,,,,,
100.011.527,212-679-2,844-26-8,Bithionoloxide,"2,2'-sulfinylbis(4,6-dichlorophenol)",Oc1c(Cl)cc(Cl)cc1S(=O)c2cc(Cl)cc(Cl)c2O,Oc1c(Cl)cc(Cl)cc1S(=O)c2cc(Cl)cc(Cl)c2O,"InChI=1/C12H6Cl4O3S/c13-5-1-7(15)11(17)9(3-5)20(19)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",C12H6Cl4O3S,,,,,,RPAJWWXZIQJVJF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.528,212-680-8,844-51-9,"2,5-diphenyl-p-benzoquinone","2,5-diphenyl-1,4-benzoquinone",O=C1C=C(C(=O)C=C1c2ccccc2)c3ccccc3,O=C1C=C(C(=O)C=C1c2ccccc2)c3ccccc3,InChI=1/C18H12O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H,C18H12O2,,,,,,QYXHDJJYVDLECA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.538,212-691-8,847-39-2,"2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole","2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole",COc1ccc(cc1)c2oc(nn2)c3ccc(OC)cc3,COc1ccc(cc1)c2oc(nn2)c3ccc(OC)cc3,"InChI=1/C16H14N2O3/c1-19-13-7-3-11(4-8-13)15-17-18-16(21-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3",C16H14N2O3,,,,,,ASDRGEKUFQCMBN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.539,212-692-3,847-51-8,"N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutyramide","N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide",Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1,Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1,"InChI=1/C10H7F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-5-2-1-4(18)3-6(5)20/h1-3,20H,18H2,(H,19,21)",C10H7F7N2O2,,,,,,STPOJASQXPXVMS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.540,212-693-9,847-83-6,p-methoxytrityl alcohol,(4-methoxyphenyl)(diphenyl)methanol,COc1ccc(cc1)C(O)(c2ccccc2)c3ccccc3,COc1ccc(cc1)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C20H18O2/c1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3",C20H18O2,,,,,,WCRRRAKYYPJJMP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.544,212-698-6,848-21-5,Norgestrienone,"17-ethynyl-17-hydroxyestra-4,9,11-trien-3-one",O=C/4CCC=3\\C(\\CC[C@@H]1C=3\\C=C/[C@]2(C)[C@@](O)(CC[C@@H]12)C#C)=C\\4,O=C/4CCC=3\C(\CC[C@@H]1C=3\C=C/[C@]2(C)[C@@](O)(CC[C@@H]12)C#C)=C\4,"InChI=1/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22H,4-7,9,11H2,2H3",C20H22O2,,,,,,GVDMJXQHPUYPHP-FYQPLNBISA-N,,,,,,,,,,,
100.011.550,212-704-7,850-57-7,"(5a)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride","3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan hydrochloride",Cl.COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,Cl.COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C19H21NO3.ClH/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;/h4-7,13,18H,8-10H2,1-3H3;1H",C19H21NO3.ClH,,,,,,KTFNLKDWNNDGLZ-JFYDKBSOSA-N,,,,,,,,,,,
100.011.553,212-707-3,852-19-7,Sulfapyrazole,4-amino-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)n(n1)c3ccccc3,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)n(n1)c3ccccc3,"InChI=1/C16H16N4O2S/c1-12-11-16(20(18-12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h2-11,19H,17H2,1H3",C16H16N4O2S,,,,,,MTERSQYMYBGZTP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.565,212-720-4,855-19-6,Clostebol acetate,4-chloro-3-oxoandrost-4-en-17-yl acetate,CC(=O)O[C@H]2CC[C@H]3[C@@H]4CC\\C1=C(/Cl)C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,CC(=O)O[C@H]2CC[C@H]3[C@@H]4CC\C1=C(/Cl)C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,"InChI=1/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3",C21H29ClO3,,,,,,XYGMEFJSKQEBTO-KUJXMBTLSA-N,,,,,,,,,,,
100.011.429,212-572-0,827-52-1,Cyclohexylbenzene,cyclohexylbenzene,C1CCC(CC1)c2ccccc2,C1CCC(CC1)c2ccccc2,"InChI=1/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2",C12H16,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5362,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.429,IGARGHRYKHJQSM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.384,210-320-4,612-78-2,"2,2'-binaphthalene","2,2'-binaphthalene",c1ccc2cc(ccc2c1)c3ccc4ccccc4c3,c1ccc2cc(ccc2c1)c3ccc4ccccc4c3,InChI=1/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,C20H14,,,,,,MSBVBOUOMVTWKE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.387,210-324-6,612-94-2,2-phenylnaphthalene,2-phenylnaphthalene,c1ccc(cc1)c2ccc3ccccc3c2,c1ccc(cc1)c2ccc3ccccc3c2,InChI=1/C16H12/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16/h1-12H,C16H12,,,,,,TURIHPLQSRVWHU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.396,210-334-0,613-28-5,p-(dipropylamino)benzaldehyde,4-(dipropylamino)benzaldehyde,CCCN(CCC)c1ccc(C=O)cc1,CCCN(CCC)c1ccc(C=O)cc1,"InChI=1/C13H19NO/c1-3-9-14(10-4-2)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3",C13H19NO,,,,,,HDOZLDYBGNJMMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.398,210-336-1,613-31-0,"9,10-dihydroanthracene","9,10-dihydroanthracene",C1c2ccccc2Cc3ccccc13,C1c2ccccc2Cc3ccccc13,"InChI=1/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2",C14H12,,,,,,WPDAVTSOEQEGMS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.399,210-337-7,613-33-2,"4,4'-dimethylbiphenyl","4,4'-dimethylbiphenyl",Cc1ccc(cc1)c2ccc(C)cc2,Cc1ccc(cc1)c2ccc(C)cc2,"InChI=1/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14,,,,,,RZTDESRVPFKCBH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.404,210-342-4,613-45-6,"2,4-dimethoxybenzaldehyde","2,4-dimethoxybenzaldehyde",COc1ccc(C=O)c(OC)c1,COc1ccc(C=O)c(OC)c1,"InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3",C9H10O3,,,,,,LWRSYTXEQUUTKW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.406,210-345-0,613-48-9,"N,N-diethyl-p-toluidine","N,N-diethyl-4-methylaniline",CCN(CC)c1ccc(C)cc1,CCN(CC)c1ccc(C)cc1,"InChI=1/C11H17N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3",C11H17N,,,,,,HKJNHYJTVPWVGV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.407,210-346-6,613-50-3,6-nitroquinoline,6-nitroquinoline,[O-][N+](=O)c1ccc2ncccc2c1,[O-][N+](=O)c1ccc2ncccc2c1,InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H,C9H6N2O2,,,,,,SMHPLBXIVNQFBA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.223,211-244-4,635-93-8,5-chlorosalicylaldehyde,5-chloro-2-hydroxybenzaldehyde,Oc1ccc(Cl)cc1C=O,Oc1ccc(Cl)cc1C=O,"InChI=1/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H",C7H5ClO2,,,,,,FUGKCSRLAQKUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.226,211-248-6,636-04-4,Thiobenzanilide,N-phenylbenzenecarbothioamide,S=C(Nc1ccccc1)c2ccccc2,S=C(Nc1ccccc1)c2ccccc2,"InChI=1/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)",C13H11NS,,,,,,BOQKCADLPNLYCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.228,211-250-7,636-11-3,Lithium hippurate,lithium (benzoylamino)acetate,[Li+].[O-]C(=O)CNC(=O)c1ccccc1,[Li+].[O-]C(=O)CNC(=O)c1ccccc1,"InChI=1/C9H9NO3.Li/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);/q;+1/p-1",C9H9NO3.Li,,,,,,AICGKEYEKCPLSV-UHFFFAOYSA-M,,,,,,,,,,,
100.010.237,211-260-1,636-53-3,Diethyl isophthalate,diethyl isophthalate,CCOC(=O)c1cccc(c1)C(=O)OCC,CCOC(=O)c1cccc(c1)C(=O)OCC,"InChI=1/C12H14O4/c1-3-15-11(13)9-6-5-7-10(8-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3",C12H14O4,,,,,,JLVWYWVLMFVCDI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.243,211-266-4,636-80-6,Pyridine-2-carboxylic acid hydrochloride,pyridine-2-carboxylic acid hydrochloride,Cl.OC(=O)c1ccccn1,Cl.OC(=O)c1ccccn1,"InChI=1/C6H5NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);1H",C6H5NO2.ClH,,,,,,HFAFXVOPGDBAOK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.245,211-269-0,636-93-1,2-methoxy-5-nitrophenol,2-methoxy-5-nitrophenol,COc1ccc(cc1O)[N+](=O)[O-],COc1ccc(cc1O)[N+](=O)[O-],"InChI=1/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3",C7H7NO4,,,,,,KXKCTSZYNCDFFG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.249,211-273-2,636-99-7,(4-nitrophenyl)hydrazine monohydrochloride,(4-nitrophenyl)hydrazine hydrochloride,Cl.NNc1ccc(cc1)[N+](=O)[O-],Cl.NNc1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H7N3O2.ClH/c7-8-5-1-3-6(4-2-5)9(10)11;/h1-4,8H,7H2;1H",C6H7N3O2.ClH,,,,,,ZWWXDCOPVYATOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.253,211-277-4,637-07-0,Clofibrate,ethyl 2-(4-chlorophenoxy)-2-methylpropanoate,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,"InChI=1/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3",C12H15ClO3,,,,,,KNHUKKLJHYUCFP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.254,211-279-5,637-12-7,Aluminium tristearate,aluminum trioctadecanoate,[Al+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H36O2.1/3Al,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19014,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.254,CEGOLXSVJUTHNZ-UHFFFAOYSA-K,,,,,,,,,,,
100.004.838,205-321-1,138-28-3,m-[(4-amino-3-methoxyphenyl)azo]benzenesulphonic acid,3-[(4-amino-3-methoxyphenyl)diazenyl]benzenesulfonic acid,Nc1ccc(cc1OC)N=Nc2cccc(c2)S(O)(=O)=O,Nc1ccc(cc1OC)N=Nc2cccc(c2)S(O)(=O)=O,"InChI=1/C13H13N3O4S/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)",C13H13N3O4S,,,,,,FUWKWQCNMNPILC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.839,205-322-7,138-30-7,m-hydrazinobenzenesulphonic acid,3-hydrazinobenzenesulfonic acid,NNc1cccc(c1)S(=O)(=O)O,NNc1cccc(c1)S(=O)(=O)O,"InChI=1/C6H8N2O3S/c7-8-5-2-1-3-6(4-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)",C6H8N2O3S,,,,,,ZDGHHRPKFCVOJL-UHFFFAOYSA-N,,,,,,,,,,,
100.004.842,205-325-3,138-37-4,Mafenide hydrochloride,4-(aminomethyl)benzenesulfonamide hydrochloride,Cl.NCc1ccc(cc1)S(=O)(=O)N,Cl.NCc1ccc(cc1)S(=O)(=O)N,"InChI=1/C7H10N2O2S.ClH/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H",C7H10N2O2S.ClH,,,,,,SIACJRVYIPXFKS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.990,206-588-7,355-49-7,Perfluorohexadecane,tetratriacontafluorohexadecane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50",C16F34,,,,,,AQPUCGPFMVEJGS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.991,206-589-2,355-50-0,Tritriacontafluoro-16-iodohexadecane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-tritriacontafluoro-16-iodohexadecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C16F33I/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50",C16F33I,,,,,,LEILRZKFWLKYCT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.993,206-591-3,355-68-0,Dodecafluorocyclohexane,dodecafluorocyclohexane,FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C6F12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12",C6F12,,,,,,RKIMETXDACNTIE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.998,206-597-6,356-12-7,Fluocinonide,"2-(4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,"InChI=1/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3",C26H32F2O7,,,,,,WJOHZNCJWYWUJD-IUGZLZTKSA-N,,,,,,,,,,,
100.006.012,206-612-6,357-47-1,Vinyl pentafluoropropionate,vinyl pentafluoropropanoate,FC(F)(F)C(F)(F)C(=O)OC=C,FC(F)(F)C(F)(F)C(=O)OC=C,"InChI=1/C5H3F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H,1H2",C5H3F5O2,,,,,,PCFBPKXOEGIKMG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.013,206-613-1,357-56-2,Dextromoramide,"4-(2-methyl-4-oxo-3,3-diphenyl-4-pyrrolidin-1-ylbutyl)morpholine",CC(CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4,CC(CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4,"InChI=1/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3",C25H32N2O2,,,,,,INUNXTSAACVKJS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.025,206-626-2,359-11-5,Trifluoroethylene,"1,1,2-trifluoroethene",FC=C(F)F,FC=C(F)F,InChI=1/C2HF3/c3-1-2(4)5/h1H,C2HF3,,,,,,MIZLGWKEZAPEFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.029,206-630-4,359-40-0,Oxalyl difluoride,ethanedioyl difluoride,FC(=O)C(=O)F,FC(=O)C(=O)F,InChI=1/C2F2O2/c3-1(5)2(4)6,C2F2O2,,,,,,HXQOOYKLTKQCRR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.031,206-633-0,359-71-7,"2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine","2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine",FC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C6F13N/c7-1(8)2(9,10)4(13,14)20(6(17,18)19)5(15,16)3(1,11)12",C6F13N,,,,,,KCOKATNPCXDTEB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.845,205-329-5,138-42-1,4-nitrobenzenesulphonic acid,4-nitrobenzenesulfonic acid,OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12)",C6H5NO5S,,,,,,SPXOTSHWBDUUMT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.804,214-083-8,1078-61-1,"3-(3,4-dihydroxyphenyl)propionic acid","3-(3,4-dihydroxyphenyl)propanoic acid",OC(=O)CCc1ccc(O)c(O)c1,OC(=O)CCc1ccc(O)c(O)c1,"InChI=1/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)",C9H10O4,,,,,,DZAUWHJDUNRCTF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.806,214-085-9,1078-95-1,"6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate","6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate",CC(=O)OC1CC2CC(C1=C)C2(C)C,CC(=O)OC1CC2CC(C1=C)C2(C)C,"InChI=1/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3",C12H18O2,,,,,,UDBAGFUFASPUFS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.807,214-086-4,1078-97-3,"1,4-phenylenebis[chlorodimethylsilane]","1,4-phenylenebis[chloro(dimethyl)silane]",C[Si](C)(Cl)c1ccc(cc1)[Si](C)(C)Cl,C[Si](C)(Cl)c1ccc(cc1)[Si](C)(C)Cl,"InChI=1/C10H16Cl2Si2/c1-13(2,11)9-5-7-10(8-6-9)14(3,4)12/h5-8H,1-4H3",C10H16Cl2Si2,,,,,,COFLYCFUVHLITN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.812,214-092-7,1079-41-0,N-butyl-3-hydroxypyridine-2-carboxamide,N-butyl-3-hydroxypyridine-2-carboxamide,CCCCNC(=O)c1ncccc1O,CCCCNC(=O)c1ncccc1O,"InChI=1/C10H14N2O2/c1-2-3-6-12-10(14)9-8(13)5-4-7-11-9/h4-5,7,13H,2-3,6H2,1H3,(H,12,14)",C10H14N2O2,,,,,,OWPOMFAYGIXICK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.819,214-100-9,1081-73-8,N-(2-(p-bromophenoxy)ethyl)pyrrolidine,1-[2-(4-bromophenoxy)ethyl]pyrrolidine,Brc1ccc(OCCN2CCCC2)cc1,Brc1ccc(OCCN2CCCC2)cc1,"InChI=1/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2",C12H16BrNO,,,,,,YDWKSSWZGXRQET-UHFFFAOYSA-N,,,,,,,,,,,
100.012.828,214-110-3,1084-43-1,"1,3-diamino-5-methylphenazinium chloride","1,3-diamino-5-methylphenazin-5-ium chloride",[Cl-].C[n+]1c2ccccc2nc3c(N)cc(N)cc13,[Cl-].C[n+]1c2ccccc2nc3c(N)cc(N)cc13,"InChI=1/C13H12N4.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;/h2-7H,1H3,(H3,14,15);1H",C13H13N4.Cl,,,,,,ULNMZMBBJRBGLM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.357,210-291-8,612-12-4,"1,2-bis(chloromethyl)benzene","1,2-bis(chloromethyl)benzene",ClCc1ccccc1CCl,ClCc1ccccc1CCl,"InChI=1/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2",C8H8Cl2,,,,,,FMGGHNGKHRCJLL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.358,210-292-3,612-13-5,2-(chloromethyl)benzonitrile,2-(chloromethyl)benzonitrile,ClCc1ccccc1C#N,ClCc1ccccc1C#N,"InChI=1/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2",C8H6ClN,,,,,,ZSHNOXOGXHXLAV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.359,210-293-9,612-14-6,"o-xylene-a,a'-diol","1,2-phenylenedimethanol",OCc1ccccc1CO,OCc1ccccc1CO,"InChI=1/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2",C8H10O2,,,,,,XMUZQOKACOLCSS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.362,210-297-0,612-17-9,"1,4-dihydronaphthalene","1,4-dihydronaphthalene",C1C=CCc2ccccc12,C1C=CCc2ccccc12,"InChI=1/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2",C10H10,,,,,,FUPIVZHYVSCYLX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.364,210-299-1,612-22-6,1-ethyl-2-nitrobenzene,1-ethyl-2-nitrobenzene,CCc1ccccc1[N+](=O)[O-],CCc1ccccc1[N+](=O)[O-],"InChI=1/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3",C8H9NO2,,,,,,PXWYZLWEKCMTEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.367,210-302-6,612-25-9,2-nitrobenzyl alcohol,(2-nitrophenyl)methanol,OCc1ccccc1[N+](=O)[O-],OCc1ccccc1[N+](=O)[O-],"InChI=1/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2",C7H7NO3,,,,,,BWRBVBFLFQKBPT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.372,210-307-3,612-37-3,"7,9-dihydro-7-methyl-1H-purine-2,6,8(3H)-trione","7-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)NC2=C1C(=O)NC(=O)N2,CN1C(=O)NC2=C1C(=O)NC(=O)N2,"InChI=1/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)",C6H6N4O3,,,,,,YHNNPKUFPWLTOP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.381,210-317-8,612-62-4,2-chloroquinoline,2-chloroquinoline,Clc1ccc2ccccc2n1,Clc1ccc2ccccc2n1,InChI=1/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,C9H6ClN,,,,,,OFUFXTHGZWIDDB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.382,210-318-3,612-71-5,"1,3,5-triphenylbenzene","1,3,5-triphenylbenzene",c1ccc(cc1)c2cc(cc(c2)c3ccccc3)c4ccccc4,c1ccc(cc1)c2cc(cc(c2)c3ccccc3)c4ccccc4,InChI=1/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H,C24H18,,,,,,SXWIAEOZZQADEY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.386,210-323-0,612-83-9,"3,3'-dichlorobenzidine dihydrochloride","3,3'-dichlorobiphenyl-4,4'-diamine dihydrochloride",Cl.Cl.Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,Cl.Cl.Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,"InChI=1/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H",C12H10Cl2N2.2ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7102,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.386,BXAONUZFBUNTQR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.389,210-326-7,612-96-4,2-phenylquinoline,2-phenylquinoline,c1ccc(cc1)c2ccc3ccccc3n2,c1ccc(cc1)c2ccc3ccccc3n2,InChI=1/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H,C15H11N,,,,,,FSEXLNMNADBYJU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.392,210-329-3,613-12-7,2-methylanthracene,2-methylanthracene,Cc1ccc2cc3ccccc3cc2c1,Cc1ccc2cc3ccccc3cc2c1,"InChI=1/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3",C15H12,,,,,,GYMFBYTZOGMSQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.393,210-330-9,613-13-8,2-anthrylamine,anthracen-2-amine,Nc1ccc2cc3ccccc3cc2c1,Nc1ccc2cc3ccccc3cc2c1,"InChI=1/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2",C14H11N,,,,,,YCSBALJAGZKWFF-UHFFFAOYSA-N,Positive,SM800802,[M+H]+,HCD35,194.0963:193.0887:177.0698,CASMI_2016,,,,,
100.011.430,212-573-6,827-54-3,2-vinylnaphthalene,2-vinylnaphthalene,C=Cc1ccc2ccccc2c1,C=Cc1ccc2ccccc2c1,"InChI=1/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2",C12H10,,,,,,KXYAVSFOJVUIHT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.434,212-577-8,827-94-1,"2,6-dibromo-4-nitroaniline","2,6-dibromo-4-nitroaniline",Nc1c(Br)cc(cc1Br)[N+](=O)[O-],Nc1c(Br)cc(cc1Br)[N+](=O)[O-],"InChI=1/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",C6H4Br2N2O2,,,,,,YMZIFDLWYUSZCC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.441,212-585-1,828-66-0,"1,2,3,6-tetrahydro--methyl-3,6-methanophthalic anhydride","8-methyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione",CC1C2C=CC1C3C2C(=O)OC3=O,CC1C2C=CC1C3C2C(=O)OC3=O,"InChI=1/C10H10O3/c1-4-5-2-3-6(4)8-7(5)9(11)13-10(8)12/h2-8H,1H3",C10H10O3,,,,,,SBKPSHZVULRXED-UHFFFAOYSA-N,,,,,,,,,,,
100.011.443,212-587-2,829-20-9,"1-(2,4-dimethoxyphenyl)ethan-1-one","1-(2,4-dimethoxyphenyl)ethanone",COc1ccc(C(=O)C)c(OC)c1,COc1ccc(C(=O)C)c(OC)c1,"InChI=1/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3",C10H12O3,,,,,,VQTDPCRSXHFMOL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.447,212-591-4,829-85-6,Diphenylphosphine,diphenylphosphine,P(c1ccccc1)c2ccccc2,P(c1ccccc1)c2ccccc2,"InChI=1/C12H11P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",C12H11P,,,,,,GPAYUJZHTULNBE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.457,212-602-2,831-51-6,3-amino-5-nitrosalicylic acid,3-amino-2-hydroxy-5-nitrobenzoic acid,Nc1cc(cc(C(=O)O)c1O)[N+](=O)[O-],Nc1cc(cc(C(=O)O)c1O)[N+](=O)[O-],"InChI=1/C7H6N2O5/c8-5-2-3(9(13)14)1-4(6(5)10)7(11)12/h1-2,10H,8H2,(H,11,12)",C7H6N2O5,,,,,,JFTUSFFYSRNFBA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.463,212-609-0,831-67-4,Cycloundecanecarboxylic acid,cycloundecanecarboxylic acid,OC(=O)C1CCCCCCCCCC1,OC(=O)C1CCCCCCCCCC1,"InChI=1/C12H22O2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h11H,1-10H2,(H,13,14)",C12H22O2,,,,,,BHECNPOVJVTHKS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.466,212-612-7,831-91-4,Benzyl phenyl sulphide,(benzylsulfanyl)benzene,C(Sc1ccccc1)c2ccccc2,C(Sc1ccccc1)c2ccccc2,"InChI=1/C13H12S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2",C13H12S,,,,,,LKMCJXXOBRCATQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.471,212-617-4,832-49-5,Potassium 1-hydroxynaphthalenesulphonate,"potassium 1-hydroxy-1,2-dihydronaphthalene-1-sulfonate",[K+].OC1(CC=Cc2ccccc12)S(=O)(=O)[O-],[K+].OC1(CC=Cc2ccccc12)S(=O)(=O)[O-],"InChI=1/C10H10O4S.K/c11-10(15(12,13)14)7-3-5-8-4-1-2-6-9(8)10;/h1-6,11H,7H2,(H,12,13,14);/q;+1/p-1",C10H8O4S.K,,,,,,YDHQJWAAYLPKNW-UHFFFAOYSA-M,,,,,,,,,,,
100.011.472,212-619-5,832-50-8,Sodium 1-hydroxynaphthalene-2-sulphonate,sodium 1-hydroxynaphthalene-2-sulfonate,[Na+].Oc1c(ccc2ccccc12)S(=O)(=O)[O-],[Na+].Oc1c(ccc2ccccc12)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,IBPXWLCCASAXJE-UHFFFAOYSA-M,,,,,,,,,,,
100.011.473,212-620-0,832-53-1,Pentafluorobenzenesulphonyl chloride,pentafluorobenzenesulfonyl chloride,Fc1c(F)c(F)c(c(F)c1F)S(=O)(=O)Cl,Fc1c(F)c(F)c(c(F)c1F)S(=O)(=O)Cl,"InChI=1/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12",C6ClF5O2S,,,,,,UOJCTEGNHXRPKO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.475,212-622-1,832-69-9,1-methylphenanthrene,1-methylphenanthrene,Cc1cccc2c1ccc3ccccc23,Cc1cccc2c1ccc3ccccc23,"InChI=1/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3",C15H12,,,,,,DOWJXOHBNXRUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.477,212-624-2,832-72-4,"(2,3,4,5,6-pentafluorophenyl)acetyl chloride",(pentafluorophenyl)acetyl chloride,Fc1c(F)c(F)c(CC(=O)Cl)c(F)c1F,Fc1c(F)c(F)c(CC(=O)Cl)c(F)c1F,InChI=1/C8H2ClF5O/c9-3(15)1-2-4(10)6(12)8(14)7(13)5(2)11/h1H2,C8H2ClF5O,,,,,,UUHZXQCRVUYLII-UHFFFAOYSA-N,,,,,,,,,,,
100.011.479,212-626-3,832-92-8,Mescaline hydrochloride,"2-(3,4,5-trimethoxyphenyl)ethanamine hydrochloride",Cl.COc1cc(CCN)cc(OC)c1OC,Cl.COc1cc(CCN)cc(OC)c1OC,"InChI=1/C11H17NO3.ClH/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3;/h6-7H,4-5,12H2,1-3H3;1H",C11H17NO3.ClH,,,,,,FVZVSNDNKMOYKF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.262,213-488-7,958-09-8,2'-deoxyadenosine,2'-deoxyadenosine,Nc1ncnc2c1ncn2[C@H]3C[C@H](O)[C@@H](CO)O3,Nc1ncnc2c1ncn2[C@H]3C[C@H](O)[C@@H](CO)O3,"InChI=1/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)",C10H13N5O3,,,,,,OLXZPDWKRNYJJZ-RRKCRQDMSA-N,,,,,,,,,,,
100.012.264,213-490-8,958-93-0,Thenyldiamine hydrochloride,"N,N-dimethyl-N'-pyridin-2-yl-N'-(3-thienylmethyl)ethane-1,2-diamine hydrochloride",Cl.CN(C)CCN(Cc1ccsc1)c2ccccn2,Cl.CN(C)CCN(Cc1ccsc1)c2ccccn2,"InChI=1/C14H19N3S.ClH/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14;/h3-7,10,12H,8-9,11H2,1-2H3;1H",C14H19N3S.ClH,,,,,,OQWLDKFPOJCKBX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.268,213-495-5,959-23-9,a-styryl p-anisyl ketone,1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one,COc1ccc(cc1)C(=O)C=Cc2ccccc2,COc1ccc(cc1)C(=O)C=Cc2ccccc2,"InChI=1/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3",C16H14O2,,,,,,KJHHAPASNNVTSN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.256,211-281-6,637-23-0,Tropacocaine hydrochloride,8-methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate hydrochloride,Cl.CN1C2CCC1CC(C2)OC(=O)c3ccccc3,Cl.CN1C2CCC1CC(C2)OC(=O)c3ccccc3,"InChI=1/C15H19NO2.ClH/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11;/h2-6,12-14H,7-10H2,1H3;1H",C15H19NO2.ClH,,,,,,MMAGCXHWOMQWKW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.263,211-288-4,637-53-6,Thioacetanilide,N-phenylethanethioamide,CC(=S)Nc1ccccc1,CC(=S)Nc1ccccc1,"InChI=1/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",C8H9NS,,,,,,MWCGLTCRJJFXKR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.268,211-294-7,637-59-2,(3-bromopropyl)benzene,(3-bromopropyl)benzene,BrCCCc1ccccc1,BrCCCc1ccccc1,"InChI=1/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C9H11Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10186,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.268,XMZQWZJMTBCUFT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.271,211-297-3,637-65-0,Tetrahydrofurfuryl propionate,tetrahydrofuran-2-ylmethyl propionate,CCC(=O)OCC1CCCO1,CCC(=O)OCC1CCCO1,"InChI=1/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3",C8H14O3,,,,,,FMKCDSXOYLTWBR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.272,211-298-9,637-69-4,4-vinylanisole,1-methoxy-4-vinylbenzene,COc1ccc(C=C)cc1,COc1ccc(C=C)cc1,"InChI=1/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3",C9H10O,,,,,,UAJRSHJHFRVGMG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.000,212-100-3,762-49-2,1-bromo-2-fluoroethane,1-bromo-2-fluoroethane,FCCBr,FCCBr,InChI=1/C2H4BrF/c3-1-2-4/h1-2H2,C2H4BrF,,,,,,JTLAIKFGRHDNQM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.008,212-109-2,763-30-4,"2-methylpenta-1,4-diene","2-methylpenta-1,4-diene",CC(=C)CC=C,CC(=C)CC=C,"InChI=1/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3",C6H10,,,,,,DRWYRROCDFQZQF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.010,212-111-3,763-57-5,N-(aminocarbonyl)-3-oxobutyramide,N-carbamoyl-3-oxobutanamide,CC(=O)CC(=O)NC(=O)N,CC(=O)CC(=O)NC(=O)N,"InChI=1/C5H8N2O3/c1-3(8)2-4(9)7-5(6)10/h2H2,1H3,(H3,6,7,9,10)",C5H8N2O3,,,,,,XSTSHBWKUKSVEP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.012,212-113-4,764-01-2,But-2-yn-1-ol,but-2-yn-1-ol,CC#CCO,CC#CCO,"InChI=1/C4H6O/c1-2-3-4-5/h5H,4H2,1H3",C4H6O,,,,,,NEEDEQSZOUAJMU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.020,212-122-3,764-42-1,Fumaronitrile,but-2-enedinitrile,N#C\\C=C\\C#N,N#C\C=C\C#N,InChI=1/C4H2N2/c5-3-1-2-4-6/h1-2H,C4H2N2,,,,,,KYPOHTVBFVELTG-OWOJBTEDSA-N,,,,,,,,,,,
100.011.021,212-123-9,764-47-6,1-(vinyloxy)propane,1-(vinyloxy)propane,CCCOC=C,CCCOC=C,"InChI=1/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3",C5H10O,,,,,,OVGRCEFMXPHEBL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.030,212-133-3,764-99-8,"1,1'-[oxybis(ethyleneoxy)]diethylene","1,1'-[oxybis(ethane-2,1-diyloxy)]diethene",C=COCCOCCOC=C,C=COCCOCCOC=C,"InChI=1/C8H14O3/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2",C8H14O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11118,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.030,SAMJGBVVQUEMGC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.036,212-140-1,765-13-9,Pentadec-1-yne,pentadec-1-yne,CCCCCCCCCCCCCC#C,CCCCCCCCCCCCCC#C,"InChI=1/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,4-15H2,2H3",C15H28,,,,,,DONJGKADZJEXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.045,212-150-6,765-50-4,2-(chloromethyl)thiophene,2-(chloromethyl)thiophene,ClCc1cccs1,ClCc1cccs1,"InChI=1/C5H5ClS/c6-4-5-2-1-3-7-5/h1-3H,4H2",C5H5ClS,,,,,,FUOHKPSBGLXIRL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.048,212-153-2,765-69-5,"2-methylcyclopentane-1,3-dione","2-methylcyclopentane-1,3-dione",CC1C(=O)CCC1=O,CC1C(=O)CCC1=O,"InChI=1/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3",C6H8O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16310,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.048,HXZILEQYFQYQCE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.053,212-159-5,766-07-4,Cyclohexyl hydroperoxide,cyclohexyl hydroperoxide,OOC1CCCCC1,OOC1CCCCC1,"InChI=1/C6H12O2/c7-8-6-4-2-1-3-5-6/h6-7H,1-5H2",C6H12O2,,,,,,FGGJBCRKSVGDPO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.055,212-161-6,766-09-6,1-ethylpiperidine,1-ethylpiperidine,CCN1CCCCC1,CCN1CCCCC1,"InChI=1/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3",C7H15N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11076,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.055,HTLZVHNRZJPSMI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.839,214-122-9,1087-21-4,Diallyl isophthalate,diallyl isophthalate,C=CCOC(=O)c1cccc(c1)C(=O)OCC=C,C=CCOC(=O)c1cccc(c1)C(=O)OCC=C,"InChI=1/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2",C14H14O4,,,,,,OOORLLSLMPBSPT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.848,214-132-3,1092-47-3,1-[2-[2-[bis(isopropyl)amino]ethoxy]phenyl]butan-1-one hydrochloride,1-{2-[2-(diisopropylamino)ethoxy]phenyl}butan-1-one hydrochloride,Cl.CCCC(=O)c1ccccc1OCCN(C(C)C)C(C)C,Cl.CCCC(=O)c1ccccc1OCCN(C(C)C)C(C)C,"InChI=1/C18H29NO2.ClH/c1-6-9-17(20)16-10-7-8-11-18(16)21-13-12-19(14(2)3)15(4)5;/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3;1H",C18H29NO2.ClH,,,,,,KLTGHWCBYMXNQD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.853,214-138-6,1095-04-1,Triphenyl trithiophosphite,triphenyl trithiophosphite,S(P(Sc1ccccc1)Sc2ccccc2)c3ccccc3,S(P(Sc1ccccc1)Sc2ccccc2)c3ccccc3,InChI=1/C18H15PS3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,C18H15PS3,,,,,,MRQLRZQLPODMPG-UHFFFAOYSA-N,,,,,,,,,,,
100.004.849,205-333-7,138-58-9,"Hydroxyiodo[(3,4,5-trihydroxybenzoyl)oxy]- bismuthine","5-({[hydroxy(iodo)bismuthino]oxy}carbonyl)benzene-1,2,3-triol",O[Bi](I)OC(=O)c1cc(O)c(O)c(O)c1,O[Bi](I)OC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C7H6O5.Bi.HI.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;1H;1H2/q;+3;;/p-3/rC7H6BiIO6/c9-8(14)15-7(13)3-1-4(10)6(12)5(11)2-3/h1-2,10-12,14H",C7H6BiIO6,,,,,,UODGKBVALXDDPO-UHFFFAOYSA-K,,,,,,,,,,,
100.004.860,205-345-2,138-92-1,Betazole dihydrochloride,2-(1H-pyrazol-3-yl)ethanamine dihydrochloride,Cl.Cl.NCCc1cc[nH]n1,Cl.Cl.NCCc1cc[nH]n1,"InChI=1/C5H9N3.2ClH/c6-3-1-5-2-4-7-8-5;;/h2,4H,1,3,6H2,(H,7,8);2*1H",C5H9N3.2ClH,,,,,,BUXCUOWXTOKEMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.865,205-351-5,139-07-1,Benzododecinium chloride,"N-benzyl-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1",C21H38N.Cl,,,,,,JBIROUFYLSSYDX-UHFFFAOYSA-M,,,,,,,,,,,
100.004.868,205-354-1,139-12-8,Hydroxyaluminium di(acetate),hydroxyaluminum(2+) diacetate,CC(=O)[O-].CC(=O)[O-].O[Al+2],CC(=O)[O-].CC(=O)[O-].O[Al+2],"InChI=1/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3/r2C2H4O2.AlHO/c2*1-2(3)4;1-2/h2*1H3,(H,3,4);2H/q;;+2/p-2",C2H4O2.1/3Al,,,,,,HQQUTGFAWJNQIP-UHFFFAOYSA-K,,,,,,,,,,,
100.004.870,205-356-2,139-16-2,Bismuth succinate,bismuth succinate,[BiH3+3].[BiH3+3].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-],[BiH3+3].[BiH3+3].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-],"InChI=1/3C4H6O4.2Bi.6H/c3*5-3(6)1-2-4(7)8;;;;;;;;/h3*1-2H2,(H,5,6)(H,7,8);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3C4H6O4.2BiH3/c3*5-3(6)1-2-4(7)8;;/h3*1-2H2,(H,5,6)(H,7,8);2*1H3/q;;;2*+3/p-6",C4H6O4.2/3Bi,,,,,,UIVZXOHXSVGJDZ-UHFFFAOYSA-H,,,,,,,,,,,
100.004.881,205-368-8,139-60-6,"N,N'-bis(1-ethyl-3-methylpentyl)-p-phenylenediamine","N,N'-bis(1-ethyl-3-methylpentyl)benzene-1,4-diamine",CCC(C)CC(CC)Nc1ccc(NC(CC)CC(C)CC)cc1,CCC(C)CC(CC)Nc1ccc(NC(CC)CC(C)CC)cc1,"InChI=1/C22H40N2/c1-7-17(5)15-19(9-3)23-21-11-13-22(14-12-21)24-20(10-4)16-18(6)8-2/h11-14,17-20,23-24H,7-10,15-16H2,1-6H3",C22H40N2,,,,,,JUHXTONDLXIGGK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.888,205-376-1,139-84-4,m-nonylphenol,3-nonylphenol,CCCCCCCCCc1cccc(O)c1,CCCCCCCCCc1cccc(O)c1,"InChI=1/C15H24O/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14/h9,11-13,16H,2-8,10H2,1H3",C15H24O,,,,,,QWGLNWHWBCINBS-UHFFFAOYSA-N,,,,,,,,,,,
100.004.889,205-377-7,139-85-5,"3,4-dihydroxybenzaldehyde","3,4-dihydroxybenzaldehyde",Oc1ccc(C=O)cc1O,Oc1ccc(C=O)cc1O,"InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H",C7H6O3,,,,,,IBGBGRVKPALMCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.892,205-380-3,139-88-8,Sodium tetradecyl sulfate,sodium tetradecyl sulfate,[Na+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",C14H30O4S.Na,,,,,,UPUIQOIQVMNQAP-UHFFFAOYSA-M,,,,,,,,,,,
100.004.893,205-381-9,139-89-9,Trisodium 2-(carboxylatomethyl(2-hydroxyethyl)amino)ethyliminodi(acetate),trisodium [{2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino]acetate,[Na+].[Na+].[Na+].OCCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[Na+].OCCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H18N2O7.3Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;/q;3*+1/p-3",C10H18N2O7.3Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14491,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.893,WHNXAQZPEBNFBC-UHFFFAOYSA-K,,,,,,,,,,,
100.004.894,205-382-4,139-90-2,"1,1'-(2-(N-2-hydroxyethyl-2-hydroxypropylamino)ethylimino)dipropan-2-ol",1-[{2-[bis(2-hydroxypropyl)amino]ethyl}(2-hydroxyethyl)amino]propan-2-ol,CC(O)CN(CCO)CCN(CC(C)O)CC(C)O,CC(O)CN(CCO)CCN(CC(C)O)CC(C)O,"InChI=1/C13H30N2O4/c1-11(17)8-14(6-7-16)4-5-15(9-12(2)18)10-13(3)19/h11-13,16-19H,4-10H2,1-3H3",C13H30N2O4,,,,,,VUTCGUXQNADIRX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.895,205-384-5,139-91-3,Furaltadone,"5-(morpholin-4-ylmethyl)-3-{[(5-nitro-2-furyl)methylene]amino}-1,3-oxazolidin-2-one",[O-][N+](=O)c1ccc(o1)C=NN2CC(OC2=O)CN3CCOCC3,[O-][N+](=O)c1ccc(o1)C=NN2CC(OC2=O)CN3CCOCC3,"InChI=1/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2",C13H16N4O6,,,,,,YVQVOQKFMFRVGR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.898,205-387-1,139-94-6,1-ethyl-3-(5-nitrothiazol-2-yl)urea,"1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea",CCNC(=O)Nc1ncc(s1)[N+](=O)[O-],CCNC(=O)Nc1ncc(s1)[N+](=O)[O-],"InChI=1/C6H8N4O3S/c1-2-7-5(11)9-6-8-3-4(14-6)10(12)13/h3H,2H2,1H3,(H2,7,8,9,11)",C6H8N4O3S,,,,,,FQSUTLQHSDLLAN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.900,205-389-2,139-99-1,Sodium 1-methyl 9-(sulphooxy)octadecanoate,-,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OC)OS(=O)(=O)O,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OC)OS(=O)(=O)O,"InChI=1/C19H38O6S.Na/c1-3-4-5-6-7-9-12-15-18(25-26(21,22)23)16-13-10-8-11-14-17-19(20)24-2;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1",C19H38O6S.Na,,,,,,LZEUPFJXTMRCHF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.902,205-391-3,140-01-2,Pentasodium (carboxylatomethyl)iminobis(ethylenenitrilo)tetraacetate,"pentasodium 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C14H23N3O10.5Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;/q;5*+1/p-5",C14H23N3O10.5Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14364,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.902,LQPLDXQVILYOOL-UHFFFAOYSA-I,,,,,,,,,,,
100.009.394,210-331-4,613-15-0,2-methylacridine,2-methylacridine,Cc1ccc2nc3ccccc3cc2c1,Cc1ccc2nc3ccccc3cc2c1,"InChI=1/C14H11N/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15-14/h2-9H,1H3",C14H11N,,,,,,HVZWBVZEZZJOKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.395,210-333-5,613-26-3,"2,6-dimethylanthracene","2,6-dimethylanthracene",Cc1ccc2cc3cc(C)ccc3cc2c1,Cc1ccc2cc3cc(C)ccc3cc2c1,"InChI=1/C16H14/c1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11/h3-10H,1-2H3",C16H14,,,,,,AYRABHFHMLXKBT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.408,210-347-1,613-53-6,"2-(a,a,a-tribromomethyl)quinoline",2-(tribromomethyl)quinoline,BrC(Br)(Br)c1ccc2ccccc2n1,BrC(Br)(Br)c1ccc2ccccc2n1,"InChI=1/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H",C10H6Br3N,,,,,,UDYYQHILRSDDMP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.230,211-252-8,636-21-5,o-toluidinium chloride,2-methylanilinium chloride,[Cl-].Cc1ccccc1[NH3+],[Cl-].Cc1ccccc1[NH3+],"InChI=1/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H",C7H9N.ClH,,,,,,OGVXWEOZQMAAIM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.233,211-255-4,636-41-9,2-methyl-1H-pyrrole,2-methyl-1H-pyrrole,Cc1ccc[nH]1,Cc1ccc[nH]1,"InChI=1/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3",C5H7N,,,,,,TVCXVUHHCUYLGX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.250,211-274-8,637-01-4,"N,N,N',N'-tetramethyl-p-phenylenediamine dihydrochloride","N,N,N',N'-tetramethylbenzene-1,4-diamine dihydrochloride",Cl.Cl.CN(C)c1ccc(cc1)N(C)C,Cl.Cl.CN(C)c1ccc(cc1)N(C)C,"InChI=1/C10H16N2.2ClH/c1-11(2)9-5-7-10(8-6-9)12(3)4;;/h5-8H,1-4H3;2*1H",C10H16N2.2ClH,,,,,,FBHKTSXMTASXFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.252,211-276-9,637-04-7,m-tolylhydrazinium(1+) chloride,(3-methylphenyl)hydrazine,Cc1cccc(NN)c1,Cc1cccc(NN)c1,"InChI=1/C7H10N2/c1-6-3-2-4-7(5-6)9-8/h2-5,9H,8H2,1H3",C7H10N2.ClH,,,,,,GPTOGZLZMLJZCV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.257,211-282-1,637-27-4,Phenyl propionate,phenyl propionate,CCC(=O)Oc1ccccc1,CCC(=O)Oc1ccccc1,"InChI=1/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3",C9H10O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16814,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.257,DYUMLJSJISTVPV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.260,211-285-8,637-44-5,Phenylpropiolic acid,3-phenylprop-2-ynoic acid,OC(=O)C#Cc1ccccc1,OC(=O)C#Cc1ccccc1,"InChI=1/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)",C9H6O2,,,,,,XNERWVPQCYSMLC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.261,211-286-3,637-49-0,Coniine hydrobromide,2-propylpiperidine hydrobromide,Br.CCC[C@H]1CCCCN1,Br.CCC[C@H]1CCCCN1,"InChI=1/C8H17N.BrH/c1-2-5-8-6-3-4-7-9-8;/h8-9H,2-7H2,1H3;1H",C8H17N.BrH,,,,,,BWMPAYPMHXMUAF-QRPNPIFTSA-N,,,,,,,,,,,
100.010.264,211-290-5,637-54-7,Stearanilide,N-phenyloctadecanamide,CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1,CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1,"InChI=1/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3,(H,25,26)",C24H41NO,,,,,,ZOLJFBQEKSZVCB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.265,211-291-0,637-55-8,Phenyl stearate,phenyl stearate,CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1,CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1,"InChI=1/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3",C24H40O2,,,,,,NUMNZKICGJJSHN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.266,211-292-6,637-56-9,p-phenetidinium chloride,4-ethoxyanilinium chloride,[Cl-].CCOc1ccc([NH3+])cc1,[Cl-].CCOc1ccc([NH3+])cc1,"InChI=1/C8H11NO.ClH/c1-2-10-8-5-3-7(9)4-6-8;/h3-6H,2,9H2,1H3;1H",C8H11NO.ClH,,,,,,JVWYCUBGJVOEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.269,211-295-2,637-60-5,p-tolylhydrazinium(1+) chloride,(4-methylphenyl)hydrazine,Cc1ccc(NN)cc1,Cc1ccc(NN)cc1,"InChI=1/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2-5,9H,8H2,1H3",C7H10N2.ClH,,,,,,XAMBIJWZVIZZOG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.274,211-300-8,637-78-5,Isopropyl propionate,isopropyl propionate,CCC(=O)OC(C)C,CCC(=O)OC(C)C,"InChI=1/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3",C6H12O2,,,,,,IJMWOMHMDSDKGK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.003,212-104-5,762-72-1,Allyltrimethylsilane,allyl(trimethyl)silane,C[Si](C)(C)CC=C,C[Si](C)(C)CC=C,"InChI=1/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3",C6H14Si,,,,,,HYWCXWRMUZYRPH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.004,212-105-0,762-75-4,tert-butyl formate,tert-butyl formate,CC(C)(C)OC=O,CC(C)(C)OC=O,"InChI=1/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3",C5H10O2,,,,,,RUPAXCPQAAOIPB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.013,212-115-5,764-13-6,"2,5-dimethylhexa-2,4-diene","2,5-dimethylhexa-2,4-diene",CC(=CC=C(C)C)C,CC(=CC=C(C)C)C,"InChI=1/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3",C8H14,,,,,,DZPCYXCBXGQBRN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.015,212-117-6,764-35-2,Hex-2-yne,hex-2-yne,CCCC#CC,CCCC#CC,"InChI=1/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3",C6H10,,,,,,MELUCTCJOARQQG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.023,212-126-5,764-49-8,Allyl thiocyanate,allyl thiocyanate,C=CCSC#N,C=CCSC#N,"InChI=1/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2",C4H5NS,,,,,,IFVYHJRLWCUVBB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.273,213-500-0,959-36-4,"a,a'-azinodi-o-cresol","2,2'-(hydrazine-1,2-diylidenedimethylylidene)diphenol",Oc1ccccc1C=NN=Cc2ccccc2O,Oc1ccccc1C=NN=Cc2ccccc2O,"InChI=1/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,17-18H",C14H12N2O2,,,,,,STOVYWBRBMYHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.274,213-501-6,959-52-4,"Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine","1,3,5-triacryloyl-1,3,5-triazinane",C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C,C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C,"InChI=1/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2",C12H15N3O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5503,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.274,FYBFGAFWCBMEDG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.275,213-502-1,959-55-7,Benzyldimethyloctylammonium chloride,"N-benzyl-N,N-dimethyloctan-1-aminium chloride",[Cl-].CCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1",C17H30N.Cl,,,,,,PXFDQFDPXWHEEP-UHFFFAOYSA-M,,,,,,,,,,,
100.012.276,213-503-7,959-66-0,3-oxo-3-phenylpropionanilide,"3-oxo-N,3-diphenylpropanamide",O=C(CC(=O)c1ccccc1)Nc2ccccc2,O=C(CC(=O)c1ccccc1)Nc2ccccc2,"InChI=1/C15H13NO2/c17-14(12-7-3-1-4-8-12)11-15(18)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)",C15H13NO2,,,,,,XRZDIHADHZSFBB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.285,213-513-1,963-08-6,1-benzyl-4-(butylamino)piperidine-4-carbonitrile,1-benzyl-4-(butylamino)piperidine-4-carbonitrile,CCCCNC1(CCN(Cc2ccccc2)CC1)C#N,CCCCNC1(CCN(Cc2ccccc2)CC1)C#N,"InChI=1/C17H25N3/c1-2-3-11-19-17(15-18)9-12-20(13-10-17)14-16-7-5-4-6-8-16/h4-8,19H,2-3,9-14H2,1H3",C17H25N3,,,,,,UUBVCUBWRBXOGL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.286,213-514-7,963-14-4,N1-(6-ethoxypyridazin-3-yl)sulphanilamide,4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide,CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,"InChI=1/C12H14N4O3S/c1-2-19-12-8-7-11(14-15-12)16-20(17,18)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,16)",C12H14N4O3S,,,,,,FFJIWWBSBCOKLS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.287,213-515-2,963-39-3,Demoxepam,"7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide",Clc1ccc2NC(=O)C[N+](/[O-])=C(\\c2c1)c3ccccc3,Clc1ccc2NC(=O)C[N+](/[O-])=C(\c2c1)c3ccccc3,"InChI=1/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)",C15H11ClN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18122,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.287,GGRWZBVSUZZMKS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.288,213-516-8,963-74-6,5a-androstan-17-one,androstan-17-one,C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O,C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O,"InChI=1/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3",C19H30O,,,,,,YJDYCULVYZDESB-HKQXQEGQSA-N,,,,,,,,,,,
100.012.294,213-523-6,965-90-2,Ethylestrenol,17-ethylestr-4-en-17-ol,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3",C20H32O,,,,,,AOXRBFRFYPMWLR-XGXHKTLJSA-N,,,,,,,,,,,
100.012.295,213-524-1,966-62-1,9-(dimethylamino)benzo[a]phenoxazin-7-ium chloride,9-(dimethylamino)benzo[a]phenoxazin-7-ium chloride,[Cl-].CN(C)c1ccc2nc3c(ccc4ccccc34)[o+]c2c1,[Cl-].CN(C)c1ccc2nc3c(ccc4ccccc34)[o+]c2c1,"InChI=1/C18H15N2O.ClH/c1-20(2)13-8-9-15-17(11-13)21-16-10-7-12-5-3-4-6-14(12)18(16)19-15;/h3-11H,1-2H3;1H/q+1;/p-1",C18H15N2O.Cl,,,,,,HWYNRVXFYFQSID-UHFFFAOYSA-M,,,,,,,,,,,
100.012.296,213-525-7,967-72-6,"2-(2-naphthyl)-5-phenyl-1,3,4-oxadiazole","2-(2-naphthyl)-5-phenyl-1,3,4-oxadiazole",o1c(nnc1c2ccc3ccccc3c2)c4ccccc4,o1c(nnc1c2ccc3ccccc3c2)c4ccccc4,InChI=1/C18H12N2O/c1-2-7-14(8-3-1)17-19-20-18(21-17)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,C18H12N2O,,,,,,PFFNHKOLVBEBJN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.297,213-526-2,967-80-6,"N'1-quinoxalin-2-ylsulphanilamide, sodium salt",sodium [(4-aminophenyl)sulfonyl](quinoxalin-2-yl)azanide,Nc1ccc(cc1)S(=O)(=O)N([Na])c2cnc3ccccc3n2,Nc1ccc(cc1)S(=O)(=O)N([Na])c2cnc3ccccc3n2,"InChI=1/C14H11N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2;/q-1;+1/rC14H11N4NaO2S/c15-10-5-7-11(8-6-10)22(20,21)18(19)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2",C14H12N4O2S.Na,,,,,,WXUQBKOBXREBBX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.304,213-534-6,968-93-4,Testolactone,"10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2,"InChI=1/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3",C19H24O3,,,,,,BPEWUONYVDABNZ-DZBHQSCQSA-N,,,,,,,,,,,
100.012.307,213-537-2,971-15-3,Bis(piperidinothiocarbonyl) hexasulphide,"1,1'-(hexasulfane-1,6-diyldicarbonothioyl)dipiperidine",S=C(SSSSSSC(=S)N1CCCCC1)N2CCCCC2,S=C(SSSSSSC(=S)N1CCCCC1)N2CCCCC2,InChI=1/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2,C12H20N2S8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5749,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.307,HPFHYRNETZEPIV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.853,211-937-1,716-53-0,9-chloroanthracene,9-chloroanthracene,Clc1c2ccccc2cc3ccccc13,Clc1c2ccccc2cc3ccccc13,InChI=1/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,C14H9Cl,,,,,,KULLJOPUZUWTMF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.854,214-139-1,1095-66-5,"Oleic acid, compound with morpholine (1:1)",octadec-9-enoic acid - morpholine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.C1COCCN1,CCCCCCCC\C=C/CCCCCCCC(=O)O.C1COCCN1,"InChI=1/C18H34O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-6-4-2-5-1/h9-10H,2-8,11-17H2,1H3,(H,19,20);5H,1-4H2",C18H34O2.C4H9NO,,,,,,OBMBYGXRLQQDHH-KVVVOXFISA-N,,,,,,,,,,,
100.012.855,214-140-7,1095-90-5,Methadone hydrochloride,"6-(dimethylamino)-4,4-diphenylheptan-3-one hydrochloride",Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,"InChI=1/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H",C21H27NO.ClH,,,,,,FJQXCDYVZAHXNS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.861,214-147-5,1097-51-4,"16a,17-epoxypregn-4-ene-3,20-dione","16,17-epoxypregn-4-ene-3,20-dione",CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,"InChI=1/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3",C21H28O3,,,,,,LHNVKVKZPHUYQO-SRWWVFQWSA-N,,,,,,,,,,,
100.012.864,214-150-1,1098-97-1,Pyritinol,"5,5'-[disulfanediylbis(methylene)]bis[4-(hydroxymethyl)-2-methylpyridin-3-ol]",Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,"InChI=1/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3",C16H20N2O4S2,,,,,,SIXLXDIJGIWWFU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.865,214-151-7,1099-45-2,Ethyl (triphenylphosphoranylidene)acetate,ethyl (triphenylphosphoranylidene)acetate,CCOC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3,CCOC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3",C22H21O2P,,,,,,IIHPVYJPDKJYOU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.872,214-159-0,1102-88-1,(5ß)-14-hydroxy-3-oxocard-20(22)-enolide,14-hydroxy-3-oxocard-20(22)-enolide,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5,"InChI=1/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3",C23H32O4,,,,,,REJBTXQSIQFRRE-XZBQRBHSSA-N,,,,,,,,,,,
100.011.879,213-066-2,921-47-1,"2,3,4-trimethylhexane","2,3,4-trimethylhexane",CCC(C)C(C)C(C)C,CCC(C)C(C)C(C)C,"InChI=1/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3",C9H20,,,,,,RUTNOQHQISEBGT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.881,213-068-3,921-60-8,L-glucose,L-glucose,OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O,OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-VANKVMQKSA-N,,,,,,,,,,,
100.011.888,213-076-7,922-55-4,Lanthionine,S-(2-amino-2-carboxyethyl)cysteine,NC(CSCC(N)C(=O)O)C(=O)O,NC(CSCC(N)C(=O)O)C(=O)O,"InChI=1/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",C6H12N2O4S,,,,,,DWPCPZJAHOETAG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.416,210-356-0,613-80-9,Di-2-naphthyl ether,"2,2'-oxydinaphthalene",O(c1ccc2ccccc2c1)c3ccc4ccccc4c3,O(c1ccc2ccccc2c1)c3ccc4ccccc4c3,InChI=1/C20H14O/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,C20H14O,,,,,,DZRLNYVDCIYXPG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.430,210-371-2,614-19-7,ß-phenyl-ß-alanine,3-amino-3-phenylpropanoic acid,NC(CC(=O)O)c1ccccc1,NC(CC(=O)O)c1ccccc1,"InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",C9H11NO2,,,,,,UJOYFRCOTPUKAK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.447,210-390-6,614-69-7,o-tolyl isothiocyanate,1-isothiocyanato-2-methylbenzene,Cc1ccccc1N=C=S,Cc1ccccc1N=C=S,"InChI=1/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3",C8H7NS,,,,,,JYKYYPPZLPVIBY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.449,210-392-7,614-72-2,1-chloro-2-ethoxybenzene,1-chloro-2-ethoxybenzene,CCOc1ccccc1Cl,CCOc1ccccc1Cl,"InChI=1/C8H9ClO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3",C8H9ClO,,,,,,IRYSAAMKXPLGAM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.452,210-395-3,614-78-8,o-tolylthiourea,1-(2-methylphenyl)thiourea,Cc1ccccc1NC(=S)N,Cc1ccccc1NC(=S)N,"InChI=1/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",C8H10N2S,,,,,,ACLZYRNSDLQOIA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.455,210-399-5,614-87-9,Dibrompropamidine isetionate,"4,4'-[propane-1,3-diylbis(oxy)]bis(3-bromobenzenecarboximidamide)",NC(=N)c1ccc(OCCCOc2ccc(cc2Br)C(=N)N)c(Br)c1,NC(=N)c1ccc(OCCCOc2ccc(cc2Br)C(=N)N)c(Br)c1,"InChI=1/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23)",C17H18Br2N4O2.2C2H6O4S,,,,,,GMJFVGRUYJHMCO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.463,210-408-2,615-11-2,Furfuryl 2-furoate,2-furylmethyl 2-furoate,O=C(OCc1occc1)c2occc2,O=C(OCc1occc1)c2occc2,"InChI=1/C10H8O4/c11-10(9-4-2-6-13-9)14-7-8-3-1-5-12-8/h1-6H,7H2",C10H8O4,,,,,,RRYLJIZZSKSDGN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.903,205-392-9,140-03-4,Methyl O-acetylricinoleate,methyl 12-acetoxyoctadec-9-enoate,CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C,CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C,"InChI=1/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3",C21H38O4,,,,,,CMOYPQWMTBSLJK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.904,205-393-4,140-04-5,Butyl O-acetylricinoleate,butyl 12-acetoxyoctadec-9-enoate,CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)OC(=O)C,CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)OC(=O)C,"InChI=1/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3",C24H44O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19029,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.904,BEWFIPLBFJGWSR-UHFFFAOYSA-N,,,,,,,,,,,
100.004.907,205-397-6,140-08-9,Tris(2-chloroethyl) phosphite,tris(2-chloroethyl) phosphite,ClCCOP(OCCCl)OCCCl,ClCCOP(OCCCl)OCCCl,InChI=1/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2,C6H12Cl3O3P,,,,,,LUVCTYHBTXSAMX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.910,205-400-0,140-18-1,Phenylmethyl chloroacetate,benzyl chloroacetate,ClCC(=O)OCc1ccccc1,ClCC(=O)OCc1ccccc1,"InChI=1/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2",C9H9ClO2,,,,,,SOGXBRHOWDEKQB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.911,205-401-6,140-19-2,N-(2-thienylmethyl)pyridin-2-amine,N-(2-thienylmethyl)pyridin-2-amine,C(Nc1ccccn1)c2cccs2,C(Nc1ccccn1)c2cccs2,"InChI=1/C10H10N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13-9/h1-7H,8H2,(H,11,12)",C10H10N2S,,,,,,SQJPDAQZMOQYLY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.934,205-426-2,140-66-9,"4-(1,1,3,3-tetramethylbutyl)phenol","4-(1,1,3,3-tetramethylbutyl)phenol",CC(C)(C)CC(C)(C)c1ccc(O)cc1,CC(C)(C)CC(C)(C)c1ccc(O)cc1,"InChI=1/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3",C14H22O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15074,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.934,ISAVYTVYFVQUDY-UHFFFAOYSA-N,,,,,,,,,,,
100.004.935,205-427-8,140-67-0,4-allylanisole,1-allyl-4-methoxybenzene,COc1ccc(CC=C)cc1,COc1ccc(CC=C)cc1,"InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",C10H12O,,,,,,ZFMSMUAANRJZFM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.936,205-428-3,140-72-7,Cetylpyridinium bromide,1-hexadecylpyridinium bromide,[Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1,[Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1,"InChI=1/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1",C21H38N.Br,,,,,,DVBJBNKEBPCGSY-UHFFFAOYSA-M,,,,,,,,,,,
100.004.940,205-433-0,140-77-2,3-cyclopentylpropionic acid,3-cyclopentylpropanoic acid,OC(=O)CCC1CCCC1,OC(=O)CCC1CCCC1,"InChI=1/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)",C8H14O2,,,,,,ZRPLANDPDWYOMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.942,205-435-1,140-80-7,4-aminopentyldiethylamine,"N~1~,N~1~-diethylpentane-1,4-diamine",CCN(CC)CCCC(C)N,CCN(CC)CCCC(C)N,"InChI=1/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3",C9H22N2,,,,,,CAPCBAYULRXQAN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.945,205-438-8,140-88-5,Ethyl acrylate,ethyl acrylate,CCOC(=O)C=C,CCOC(=O)C=C,"InChI=1/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3",C5H8O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15431,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.945,JIGUQPWFLRLWPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.949,205-443-5,140-93-2,Proxan-sodium,sodium O-isopropyl dithiocarbonate,[Na+].CC(C)OC(=S)[S-],[Na+].CC(C)OC(=S)[S-],"InChI=1/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1",C4H8OS2.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13542,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.949,IRZFQKXEKAODTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.004.953,205-447-7,141-01-5,Iron(II) fumarate,"[but-2-enedioato(2-)-kappa~2~O~1~,O~4~]iron",O=C1O[Fe]OC(=O)C=C1,O=C1O[Fe]OC(=O)C=C1,"InChI=1/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2",C4H4O4.Fe,,,,,,PMVSDNDAUGGCCE-ODZAUARKSA-L,,,,,,,,,,,
100.004.954,205-448-2,141-02-6,Bis(2-ethylhexyl) fumarate,bis(2-ethylhexyl) but-2-enedioate,CCCCC(CC)COC(=O)\\C=C\\C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)\C=C\C(=O)OCC(CC)CCCC,"InChI=1/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3",C20H36O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2078,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.954,ROPXFXOUUANXRR-BUHFOSPRSA-N,,,,,,,,,,,
100.004.960,205-455-0,141-08-2,"2,3-dihydroxypropyl 12-hydroxy-9-octadecenoate","2,3-dihydroxypropyl 12-hydroxyoctadec-9-enoate",OCC(O)COC(=O)CCCCCCCC=CCC(O)CCCCCC,OCC(O)COC(=O)CCCCCCCC=CCC(O)CCCCCC,"InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3",C21H40O5,,,,,,HDIFHQMREAYYJW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.961,205-456-6,141-09-3,Rhodinyl formate,"3,7-dimethyloct-7-en-1-yl formate",CC(CCCC(=C)C)CCOC=O,CC(CCCC(=C)C)CCOC=O,"InChI=1/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3",C11H20O2,,,,,,VMBKZHMLQXCNCP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.962,205-457-1,141-10-6,"6,10-dimethylundeca-3,5,9-trien-2-one","6,10-dimethylundeca-3,5,9-trien-2-one",C/C(C)=C\\CCC(C)=CC=CC(C)=O,C/C(C)=C\CCC(C)=CC=CC(C)=O,"InChI=1/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3",C13H20O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11108,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.962,JXJIQCXXJGRKRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.024,212-127-0,764-59-0,Hex-5-enal,hex-5-enal,C=CCCCC=O,C=CCCCC=O,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2",C6H10O,,,,,,USLRUYZDOLMIRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.026,212-129-1,764-67-0,2-hydroxypalmitic acid,2-hydroxyhexadecanoic acid,CCCCCCCCCCCCCCC(O)C(=O)O,CCCCCCCCCCCCCCC(O)C(=O)O,"InChI=1/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)",C16H32O3,,,,,,JGHSBPIZNUXPLA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.032,212-135-4,765-04-8,"Undecane-1,11-diol","undecane-1,11-diol",OCCCCCCCCCCCO,OCCCCCCCCCCCO,"InChI=1/C11H24O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2",C11H24O2,,,,,,XSMIOONHPKRREI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.035,212-139-6,765-10-6,Tetradecyne,tetradec-1-yne,CCCCCCCCCCCCC#C,CCCCCCCCCCCCC#C,"InChI=1/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3",C14H26,,,,,,DZEFNRWGWQDGTR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.039,212-143-8,765-34-4,"2,3-epoxypropionaldehyde",oxirane-2-carbaldehyde,O=CC1CO1,O=CC1CO1,"InChI=1/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2",C3H4O2,,,,,,IWYRWIUNAVNFPE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.040,212-144-3,765-38-8,2-methylpyrrolidine,2-methylpyrrolidine,CC1CCCN1,CC1CCCN1,"InChI=1/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3",C5H11N,,,,,,RGHPCLZJAFCTIK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.041,212-145-9,765-42-4,Alpha-methylcyclopropanemethanol,1-cyclopropylethanol,CC(O)C1CC1,CC(O)C1CC1,"InChI=1/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3",C5H10O,,,,,,DKKVKJZXOBFLRY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.042,212-146-4,765-43-5,Cyclopropyl methyl ketone,1-cyclopropylethanone,CC(=O)C1CC1,CC(=O)C1CC1,"InChI=1/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",C5H8O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5869,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.042,HVCFCNAITDHQFX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.043,212-148-5,765-47-9,"1,2-dimethylcyclopentene","1,2-dimethylcyclopentene",CC1=C(C)CCC1,CC1=C(C)CCC1,"InChI=1/C7H12/c1-6-4-3-5-7(6)2/h3-5H2,1-2H3",C7H12,,,,,,SZZWLAZADBEDQP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.046,212-151-1,765-58-2,2-bromo-5-methylthiophene,2-bromo-5-methylthiophene,Cc1ccc(Br)s1,Cc1ccc(Br)s1,"InChI=1/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3",C5H5BrS,,,,,,ACDLOOGOFKSUPO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.047,212-152-7,765-67-3,1-chlorobicyclo[2.2.1]heptane,1-chlorobicyclo[2.2.1]heptane,ClC12CCC(CC1)C2,ClC12CCC(CC1)C2,"InChI=1/C7H11Cl/c8-7-3-1-6(5-7)2-4-7/h6H,1-5H2",C7H11Cl,,,,,,LKMFWORXBTXJNB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.052,212-157-4,766-05-2,Cyclohexanecarbonitrile,cyclohexanecarbonitrile,N#CC1CCCCC1,N#CC1CCCCC1,"InChI=1/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2",C7H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10777,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.052,VBWIZSYFQSOUFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.054,212-160-0,766-08-5,Methylphenylsilane,methyl(phenyl)silane,C[SiH2]c1ccccc1,C[SiH2]c1ccccc1,"InChI=1/C7H10Si/c1-8-7-5-3-2-4-6-7/h2-6H,8H2,1H3",C7H10Si,,,,,,QRLBICHXRCOJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.849,214-133-9,1093-58-9,Clostebol,4-chloro-17-hydroxyandrost-4-en-3-one,C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,"InChI=1/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3",C19H27ClO2,,,,,,KCZCIYZKSLLNNH-FBPKJDBXSA-N,,,,,,,,,,,
100.012.850,214-134-4,1094-08-2,"N,N-diethyl-a-methyl-10H-phenothiazine-10-ethylamine monohydrochloride","N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine",CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13,CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13,"InChI=1/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3",C19H24N2S.ClH,,,,,,CDOZDBSBBXSXLB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.851,214-136-5,1094-61-7,3-(aminocarbonyl)-1-(5-O-phosphonato-ß-D-ribofuranosyl)pyridinium,3-carbamoyl-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O,"InChI=1/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p-1",C11H15N2O8P,,,,,,DAYLJWODMCOQEW-TURQNECASA-M,,,,,,,,,,,
100.012.856,214-141-2,1096-03-3,4-anilino-1-benzylpiperidine-4-carboxamide,4-anilino-1-benzylpiperidine-4-carboxamide,NC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,NC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C19H23N3O/c20-18(23)19(21-17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1-10,21H,11-15H2,(H2,20,23)",C19H23N3O,,,,,,PUFOFCNHIWPPNN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.860,214-145-4,1096-84-0,"1,1'-methylenebis(2-naphthol)","1,1'-methylenedi(2-naphthol)",Oc1ccc2ccccc2c1Cc3c(O)ccc4ccccc34,Oc1ccc2ccccc2c1Cc3c(O)ccc4ccccc34,"InChI=1/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2",C21H16O2,,,,,,ZPANWZBSGMDWON-UHFFFAOYSA-N,,,,,,,,,,,
100.010.856,211-940-8,717-21-5,3-(2-furyl)acrylophenone,3-(2-furyl)-1-phenylprop-2-en-1-one,O=C(\\C=C\\c1ccco1)c2ccccc2,O=C(\C=C\c1ccco1)c2ccccc2,InChI=1/C13H10O2/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H,C13H10O2,,,,,,BVAGSGSYUAOFPJ-CMDGGOBGSA-N,,,,,,,,,,,
100.010.861,211-946-0,719-22-2,"2,6-di-tert-butyl-p-benzoquinone","2,6-di-tert-butyl-1,4-benzoquinone",CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,"InChI=1/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3",C14H20O2,,,,,,RDQSIADLBQFVMY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.862,211-947-6,719-32-4,"2,3,5,6-tetrachloroterephthaloyl dichloride","2,3,5,6-tetrachloroterephthaloyl dichloride",ClC(=O)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl,ClC(=O)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl,InChI=1/C8Cl6O2/c9-3-1(7(13)15)4(10)6(12)2(5(3)11)8(14)16,C8Cl6O2,,,,,,YJIRZJAZKDWEIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.867,211-952-3,719-96-0,N-[(dichlorofluoromethyl)thio]phthalimide,"2-{[dichloro(fluoro)methyl]sulfanyl}-1H-isoindole-1,3(2H)-dione",FC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,FC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,"InChI=1/C9H4Cl2FNO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H",C9H4Cl2FNO2S,,,,,,NCDBYAPSWOPDRN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.870,211-956-5,720-82-1,(S)-2-amino-N-(2-naphthyl)propionamide,N-2-naphthyl-L-alaninamide,C[C@H](N)C(=O)Nc1ccc2ccccc2c1,C[C@H](N)C(=O)Nc1ccc2ccccc2c1,"InChI=1/C13H14N2O/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,14H2,1H3,(H,15,16)",C13H14N2O,,,,,,RQHPADKWNYTHOH-VIFPVBQESA-N,,,,,,,,,,,
100.010.877,211-963-3,723-46-6,Sulfamethoxazole,4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide,Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,"InChI=1/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",C10H11N3O3S,,,,,,JLKIGFTWXXRPMT-UHFFFAOYSA-N,Positive/Negative,mzcloud:920,[M+H]+;[M+Na]+,HCD_Averaged,65.0386:80.0495:92.0495:93.05730:95.0491:99.0553:105.0335:108.04440:110.0600:147.0791:156.01138:160.08693:188.08185,HighChem,mzcloud:920,[M-H]-,HCD_Averaged,63.96245:92.05057:108.0455:156.01247,HighChem
100.010.883,211-970-1,725-89-3,"3,5-bis(trifluoromethyl)benzoic acid","3,5-bis(trifluoromethyl)benzoic acid",OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)",C9H4F6O2,,,,,,HVFQJWGYVXKLTE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.884,211-971-7,726-42-1,Di-p-tolylcarbodiimide,"N,N'-bis(4-methylphenyl)carbodiimide",Cc1ccc(cc1)N=C=Nc2ccc(C)cc2,Cc1ccc(cc1)N=C=Nc2ccc(C)cc2,"InChI=1/C15H14N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,1-2H3",C15H14N2,,,,,,BOSWPVRACYJBSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.892,211-980-6,729-46-4,"4,4'-(dithiodicarbonothioyl)dimorpholine",dimorpholin-4-yldithioperoxyanhydride,S=C(SSC(=S)N1CCOCC1)N2CCOCC2,S=C(SSC(=S)N1CCOCC1)N2CCOCC2,InChI=1/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2,C10H16N2O2S4,,,,,,KKVYOWPPMNSLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.569,212-725-1,859-07-4,Cefaloram,3-(acetoxymethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3ccccc3)C2=O)C(=O)O,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3ccccc3)C2=O)C(=O)O,"InChI=1/C18H18N2O6S/c1-10(21)26-8-12-9-27-17-14(16(23)20(17)15(12)18(24)25)19-13(22)7-11-5-3-2-4-6-11/h2-6,14,17H,7-9H2,1H3,(H,19,22)(H,24,25)",C18H18N2O6S,,,,,,GOFCPYKUMJBHBH-RHSMWYFYSA-N,,,,,,,,,,,
100.011.570,212-726-7,859-18-7,"Methyl (2S-trans)-6,8-dideoxy-6-[[(1-methyl-4-propylpyrrolidin-2-yl)carbonyl]amino]-1-thio-D-erythro-a-D-galacto-octopyranoside monohydrochloride","methyl 6,8-dideoxy-6-[(1-methyl-4-propylprolyl)amino]-1-thio-D-erythro-beta-L-gluco-octopyranoside hydrochloride",Cl.CCCC1CC(N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O,Cl.CCCC1CC(N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H",C18H34N2O6S.ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7423,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.570,POUMFISTNHIPTI-DZFOOGMXSA-N,,,,,,,,,,,
100.011.577,212-734-0,865-21-4,Vinblastine,vincaleukoblastine,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1,"InChI=1/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3",C46H58N4O9,,,,,,JXLYSJRDGCGARV-XQKSVPLYSA-N,,,,,,,,,,,
100.011.590,212-748-7,865-86-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecanol","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-1-ol",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H5F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2",C12H5F21O,,,,,,FLXYIZWPNQYPIT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.592,212-750-8,866-55-7,Diethyltin dichloride,diethyltin dichloride,[Cl-].[Cl-].CC[Sn+2]CC,[Cl-].[Cl-].CC[Sn+2]CC,"InChI=1/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2/rC4H10Sn.2ClH/c1-3-5-4-2;;/h3-4H2,1-2H3;2*1H/q+2;;/p-2",C4H10Cl2Sn,,,,,,YFAXVVMIXZAKSR-UHFFFAOYSA-L,,,,,,,,,,,
100.009.464,210-409-8,615-12-3,3-methylbutyl 2-furoate,3-methylbutyl 2-furoate,CC(C)CCOC(=O)c1occc1,CC(C)CCOC(=O)c1occc1,"InChI=1/C10H14O3/c1-8(2)5-7-13-10(11)9-4-3-6-12-9/h3-4,6,8H,5,7H2,1-2H3",C10H14O3,,,,,,FPBZWZKAUPNMMV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.277,211-303-4,637-84-3,N-[N-(N-glycylglycyl)glycyl]glycine,glycylglycylglycylglycine,NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,"InChI=1/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)",C8H14N4O5,,,,,,QMOQBVOBWVNSNO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.281,211-308-1,637-90-1,9-oxabicyclo[6.1.0]non-4-ene,9-oxabicyclo[6.1.0]non-4-ene,C1CC2OC2CCC=C1,C1CC2OC2CCC=C1,"InChI=1/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2",C8H12O,,,,,,YWFPXWMSGJXUFS-UPHRSURJSA-N,,,,,,,,,,,
100.010.282,211-309-7,637-92-3,2-ethoxy-2-methylpropane,tert-butyl ethyl ether,CCOC(C)(C)C,CCOC(C)(C)C,"InChI=1/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3",C6H14O,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15520,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.282,NUMQCACRALPSHD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.286,211-313-9,638-02-8,"2,5-dimethylthiophene","2,5-dimethylthiophene",Cc1ccc(C)s1,Cc1ccc(C)s1,"InChI=1/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3",C6H8S,,,,,,GWQOOADXMVQEFT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.287,211-314-4,638-03-9,m-toluidinium chloride,3-methylanilinium chloride,[Cl-].Cc1cccc([NH3+])c1,[Cl-].Cc1cccc([NH3+])c1,"InChI=1/C7H9N.ClH/c1-6-3-2-4-7(8)5-6;/h2-5H,8H2,1H3;1H",C7H9N.ClH,,,,,,VDXZPXIEEVOGLV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.295,211-323-3,638-17-5,"5,6-dihydro-2,4,6-trimethyl-1,3,5-dithiazine","2,4,6-trimethyl-1,3,5-dithiazinane",CC1NC(C)SC(C)S1,CC1NC(C)SC(C)S1,"InChI=1/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3",C6H13NS2,,,,,,FBMVFHKKLDGLJA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.296,211-324-9,638-20-0,"N,N'-carbonylbis(acetamide)",N-(acetylcarbamoyl)acetamide (non-preferred name),CC(=O)NC(=O)NC(=O)C,CC(=O)NC(=O)NC(=O)C,"InChI=1/C5H8N2O3/c1-3(8)6-5(10)7-4(2)9/h1-2H3,(H2,6,7,8,9,10)",C5H8N2O3,,,,,,UJQLDFMZDSDZEY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.300,211-329-6,638-28-8,2-chlorohexane,2-chlorohexane,CCCCC(C)Cl,CCCCC(C)Cl,"InChI=1/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3",C6H13Cl,,,,,,GLCIPJOIEVLTPR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.304,211-333-8,638-37-9,Succinaldehyde,succinaldehyde,O=CCCC=O,O=CCCC=O,"InChI=1/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",C4H6O2,,,,,,PCSMJKASWLYICJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.309,211-339-0,638-45-9,1-iodohexane,1-iodohexane,CCCCCCI,CCCCCCI,"InChI=1/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3",C6H13I,,,,,,ANOOTOPTCJRUPK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.321,211-352-1,638-95-9,Urs-12-en-3ß-ol,urs-12-en-3-ol,C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C,C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C,"InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3",C30H50O,,,,,,FSLPMRQHCOLESF-SFMCKYFRSA-N,,,,,,,,,,,
100.010.322,211-353-7,639-14-5,"(3ß,4a)-3-hydroxy-23-oxoolean-12-en-28-oic acid",3-hydroxy-23-oxoolean-12-en-28-oic acid,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,"InChI=1/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)",C30H46O4,,,,,,QMHCWDVPABYZMC-MYPRUECHSA-N,,,,,,,,,,,
100.010.325,211-356-3,639-47-4,"(5a,6a)-7,8-didehydro-4,5-epoxy-6-methoxy-17-methylmorphinan-3-ol","6-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-ol",CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45,CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3",C18H21NO3,,,,,,FNAHUZTWOVOCTL-XSSYPUMDSA-N,,,,,,,,,,,
100.010.329,211-361-0,640-01-7,"2,2,6,6-tetramethyl-1-nitroso-4-piperidone","2,2,6,6-tetramethyl-1-nitrosopiperidin-4-one",CC1(C)CC(=O)CC(C)(C)N1N=O,CC1(C)CC(=O)CC(C)(C)N1N=O,"InChI=1/C9H16N2O2/c1-8(2)5-7(12)6-9(3,4)11(8)10-13/h5-6H2,1-4H3",C9H16N2O2,,,,,,PBOJDTWOZVDRPH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.059,212-165-8,766-39-2,Dimethylmaleic anhydride,"3,4-dimethylfuran-2,5-dione",CC1=C(C)C(=O)OC1=O,CC1=C(C)C(=O)OC1=O,InChI=1/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3,C6H6O3,,,,,,MFGALGYVFGDXIX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.064,212-171-0,766-80-3,1-(bromomethyl)-3-chlorobenzene,1-(bromomethyl)-3-chlorobenzene,Clc1cccc(CBr)c1,Clc1cccc(CBr)c1,"InChI=1/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",C7H6BrCl,,,,,,LZIYAIRGDHSVED-UHFFFAOYSA-N,,,,,,,,,,,
100.011.072,212-179-4,767-10-2,1-butylpyrrolidine,1-butylpyrrolidine,CCCCN1CCCC1,CCCCN1CCCC1,"InChI=1/C8H17N/c1-2-3-6-9-7-4-5-8-9/h2-8H2,1H3",C8H17N,,,,,,JSHASCFKOSDFHY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.074,212-182-0,767-16-8,6-amino-2-methyl-1H-pyrimidin-4-one,6-amino-2-methylpyrimidin-4(1H)-one,CC1=NC(=O)C=C(N)N1,CC1=NC(=O)C=C(N)N1,"InChI=1/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9)",C5H7N3O,,,,,,MVHONLHZERWNRF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.965,205-460-8,141-13-9,"2,6,10-trimethylundec-9-enal","2,6,10-trimethylundec-9-enal",CC(CCCC(C)C=O)CCC=C(C)C,CC(CCCC(C)C=O)CCC=C(C)C,"InChI=1/C14H26O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,11,13-14H,5-6,8-10H2,1-4H3",C14H26O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18713,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.965,UEGBWDUVDAKUGA-UHFFFAOYSA-N,,,,,,,,,,,
100.004.968,205-463-4,141-16-2,Citronellyl butyrate,"3,7-dimethyloct-6-en-1-yl butyrate",CCCC(=O)OCCC(C)CCC=C(C)C,CCCC(=O)OCCC(C)CCC=C(C)C,"InChI=1/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3",C14H26O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17148,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.968,XQPZQXTWYZAXAK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.969,205-465-5,141-17-3,Bis(2-(2-butoxyethoxy)ethyl) adipate,bis[2-(2-butoxyethoxy)ethyl] adipate,CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC,CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC,"InChI=1/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3",C22H42O8,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6960,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.969,SCABKEBYDRTODC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.973,205-469-7,141-21-9,N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide,N-{2-[(2-hydroxyethyl)amino]ethyl}octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCNCCO,CCCCCCCCCCCCCCCCCC(=O)NCCNCCO,"InChI=1/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h23,25H,2-21H2,1H3,(H,24,26)",C22H46N2O2,,,,,,KWTFEBYZFYIHFO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.974,205-470-2,141-22-0,Ricinoleic acid,12-hydroxyoctadec-9-enoic acid,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)O,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O,"InChI=1/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)",C18H34O3,,,,,,WBHHMMIMDMUBKC-QJWNTBNXSA-N,,,,,,,,,,,
100.004.979,205-476-5,141-27-5,"(E)-3,7-dimethylocta-2,6-dienal","3,7-dimethylocta-2,6-dienal",CC(=CCC\\C(=C\\C=O)\\C)C,CC(=CCC\C(=C\C=O)\C)C,"InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17552,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.979,WTEVQBCEXWBHNA-JXMROGBWSA-N,,,,,,,,,,,
100.004.980,205-477-0,141-28-6,Diethyl adipate,diethyl adipate,CCOC(=O)CCCCC(=O)OCC,CCOC(=O)CCCCC(=O)OCC,"InChI=1/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3",C10H18O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16772,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.980,VIZORQUEIQEFRT-UHFFFAOYSA-N,,,,,,,,,,,
100.004.984,205-481-2,141-33-3,"O-butyl hydrogen dithiocarbonate , sodium salt",sodium O-butyl dithiocarbonate,CCCCOC(=S)S[Na],CCCCOC(=S)S[Na],"InChI=1/C5H10OS2.Na/c1-2-3-4-6-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1/rC5H9NaOS2/c1-2-3-4-7-5(8)9-6/h2-4H2,1H3",C5H10OS2.Na,,,,,,AAJRIJBGDLLRAE-UHFFFAOYSA-M,,,,,,,,,,,
100.004.985,205-482-8,141-38-8,2-ethylhexyl 3-octyloxiran-2-octanoate,2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C26H50O3/c1-4-7-9-10-12-15-19-24-25(29-24)20-16-13-11-14-17-21-26(27)28-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3",C26H50O3,,,,,,PUYRISKXBBQECH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.986,205-483-3,141-43-5,2-aminoethanol,2-aminoethanol,NCCO,NCCO,"InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H2",C2H7NO,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15808,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.986,HZAXFHJVJLSVMW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.994,205-492-2,141-63-9,Dodecamethylpentasiloxane,dodecamethylpentasiloxane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3",C12H36O4Si5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5714,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.994,FBZANXDWQAVSTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.004.998,205-496-4,141-72-0,"1,1'-[isopropylidenebis(oxy)]dibutane","1,1'-[propane-2,2-diylbis(oxy)]dibutane",CCCCOC(C)(C)OCCCC,CCCCOC(C)(C)OCCCC,"InChI=1/C11H24O2/c1-5-7-9-12-11(3,4)13-10-8-6-2/h5-10H2,1-4H3",C11H24O2,,,,,,CXBFTMAIVDLZLG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.877,206-464-2,345-89-1,4-fluoro-4'-methoxybenzophenone,(4-fluorophenyl)(4-methoxyphenyl)methanone,COc1ccc(cc1)C(=O)c2ccc(F)cc2,COc1ccc(cc1)C(=O)c2ccc(F)cc2,"InChI=1/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3",C14H11FO2,,,,,,VWGWRNBIAWTWIB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.885,206-473-1,347-55-7,2-[(trifluoromethyl)thio]aniline,2-[(trifluoromethyl)sulfanyl]aniline,Nc1ccccc1SC(F)(F)F,Nc1ccccc1SC(F)(F)F,"InChI=1/C7H6F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2",C7H6F3NS,,,,,,HIPLFBJHUALLRK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.886,206-474-7,347-63-7,3-(3-fluoro-4-methoxybenzoyl)propionic acid,4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoic acid,COc1ccc(cc1F)C(=O)CCC(=O)O,COc1ccc(cc1F)C(=O)CCC(=O)O,"InChI=1/C11H11FO4/c1-16-10-4-2-7(6-8(10)12)9(13)3-5-11(14)15/h2,4,6H,3,5H2,1H3,(H,14,15)",C11H11FO4,,,,,,SNRFVYKMDZSFED-UHFFFAOYSA-N,,,,,,,,,,,
100.005.888,206-476-8,348-51-6,1-chloro-2-fluorobenzene,1-chloro-2-fluorobenzene,Fc1ccccc1Cl,Fc1ccccc1Cl,InChI=1/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4ClF,,,,,,ZCJAYDKWZAWMPR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.891,206-479-4,348-57-2,"1-bromo-2,4-difluorobenzene","1-bromo-2,4-difluorobenzene",Fc1ccc(Br)c(F)c1,Fc1ccc(Br)c(F)c1,InChI=1/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3H,C6H3BrF2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15945,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.891,MGHBDQZXPCTTIH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.892,206-481-5,348-61-8,"4-bromo-1,2-difluorobenzene","4-bromo-1,2-difluorobenzene",Fc1ccc(Br)cc1F,Fc1ccc(Br)cc1F,InChI=1/C6H3BrF2/c7-4-1-2-5(8)6(9)3-4/h1-3H,C6H3BrF2,,,,,,YMQPKONILWWJQG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.862,214-148-0,1098-45-9,"5-ß-pregnane-3-a,17-a,20-a-triol","pregnane-3,17,20-triol",CC(O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3",C21H36O3,,,,,,SCPADBBISMMJAW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.870,214-156-4,1101-67-3,N2-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-glutamine,N~2~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-glutamine,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CCC(=O)N)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CCC(=O)N)C(=O)O,"InChI=1/C17H21N3O5S/c1-20(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)19-13(17(22)23)9-10-16(18)21/h3-8,13,19H,9-10H2,1-2H3,(H2,18,21)(H,22,23)",C17H21N3O5S,,,,,,AMOCBWNWZULALT-ZDUSSCGKSA-N,,,,,,,,,,,
100.012.871,214-158-5,1102-19-8,"1,1'-dibenzyl-4,4'-bipyridinium dichloride","1,1'-dibenzyl-4,4'-bipyridinium dichloride",[Cl-].[Cl-].C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3,[Cl-].[Cl-].C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3,"InChI=1/C24H22N2.2ClH/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;;/h1-18H,19-20H2;2*1H/q+2;;/p-2",C24H22N2.2Cl,,,,,,NLOIIDFMYPFJKP-UHFFFAOYSA-L,,,,,,,,,,,
100.011.878,213-065-7,921-20-0,"3-hydroxymethylpentane-2,4-diol","3-(hydroxymethyl)pentane-2,4-diol",CC(O)C(CO)C(C)O,CC(O)C(CO)C(C)O,"InChI=1/C6H14O3/c1-4(8)6(3-7)5(2)9/h4-9H,3H2,1-2H3",C6H14O3,,,,,,WPTUDAOQIXOMIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.882,213-069-9,921-62-0,D-gluconic acid 6-(dihydrogen phosphate),6-O-phosphonohexonic acid,OC(COP(=O)(O)O)C(O)C(O)C(O)C(=O)O,OC(COP(=O)(O)O)C(O)C(O)C(O)C(=O)O,"InChI=1/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)",C6H13O10P,,,,,,BIRSGZKFKXLSJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.411,210-350-8,613-70-7,2-methoxyphenyl acetate,2-methoxyphenyl acetate,COc1ccccc1OC(=O)C,COc1ccccc1OC(=O)C,"InChI=1/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3",C9H10O3,,,,,,BHJHPYFAYGAPLS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.417,210-357-6,613-84-3,5-methylsalicylaldehyde,2-hydroxy-5-methylbenzaldehyde,Cc1ccc(O)c(C=O)c1,Cc1ccc(O)c(C=O)c1,"InChI=1/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H3",C8H8O2,,,,,,ILEIUTCVWLYZOM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.421,210-361-8,613-92-3,Benzamide oxime,N'-hydroxybenzenecarboximidamide,NC(=NO)c1ccccc1,NC(=NO)c1ccccc1,"InChI=1/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9)",C7H8N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16367,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.421,MXOQNVMDKHLYCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.422,210-362-3,613-93-4,N-methylbenzamide,N-methylbenzamide,CNC(=O)c1ccccc1,CNC(=O)c1ccccc1,"InChI=1/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)",C8H9NO,,,,,,NCCHARWOCKOHIH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.423,210-363-9,613-94-5,Benzohydrazide,benzohydrazide,NNC(=O)c1ccccc1,NNC(=O)c1ccccc1,"InChI=1/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)",C7H8N2O,,,,,,WARCRYXKINZHGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.424,210-364-4,613-97-8,N-ethyl-N-methylaniline,N-ethyl-N-methylaniline,CCN(C)c1ccccc1,CCN(C)c1ccccc1,"InChI=1/C9H13N/c1-3-10(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3",C9H13N,,,,,,PPHQUIPUBYPZLD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.425,210-366-5,614-00-6,N-methyl-N-nitrosoaniline,N-methyl-N-nitrosoaniline,CN(N=O)c1ccccc1,CN(N=O)c1ccccc1,"InChI=1/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3",C7H8N2O,,,,,,MAXCWSIJKVASQC-UHFFFAOYSA-N,Positive,EQ335701|EQ335702|EQ335703|EQ335704|EQ335705|EQ335706,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,107.073:137.071:66.0464|107.073:137.071:66.0464|107.0729:66.0464:137.071|66.0464:107.0729:137.071|66.0464:95.0491:107.073|66.0464:95.0492:65.0386,Eawag,,,,,
100.009.428,210-369-1,614-16-4,Benzoylacetonitrile,3-oxo-3-phenylpropanenitrile,O=C(CC#N)c1ccccc1,O=C(CC#N)c1ccccc1,"InChI=1/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2",C9H7NO,,,,,,ZJRCIQAMTAINCB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.431,210-372-8,614-22-2,Benzoylurea,N-carbamoylbenzamide,NC(=O)NC(=O)c1ccccc1,NC(=O)NC(=O)c1ccccc1,"InChI=1/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)",C8H8N2O2,,,,,,HRYILSDLIGTCOP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.432,210-373-3,614-27-7,Methyl 3-oxo-3-phenylpropionate,methyl 3-oxo-3-phenylpropanoate,COC(=O)CC(=O)c1ccccc1,COC(=O)CC(=O)c1ccccc1,"InChI=1/C10H10O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3",C10H10O3,,,,,,WRGLZAJBHUOPFO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.437,210-379-6,614-33-5,Glycerol tribenzoate,"propane-1,2,3-triyl tribenzoate",O=C(OCC(COC(=O)c1ccccc1)OC(=O)c2ccccc2)c3ccccc3,O=C(OCC(COC(=O)c1ccccc1)OC(=O)c2ccccc2)c3ccccc3,"InChI=1/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2",C24H20O6,,,,,,HIZCTWCPHWUPFU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.439,210-381-7,614-39-1,Procainamide hydrochloride,4-amino-N-[2-(diethylamino)ethyl]benzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1ccc(N)cc1,Cl.CCN(CC)CCNC(=O)c1ccc(N)cc1,"InChI=1/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H",C13H21N3O.ClH,,,,,,ABTXGJFUQRCPNH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.451,210-394-8,614-77-7,o-tolylurea,1-(2-methylphenyl)urea,Cc1ccccc1NC(=O)N,Cc1ccccc1NC(=O)N,"InChI=1/C8H10N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",C8H10N2O,,,,,,BLSVCHHBHKGCSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.593,212-751-3,866-81-9,Tricobalt dicitrate,tricobalt dicitrate,[Co+2].[Co+2].[Co+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Co+2].[Co+2].[Co+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Co/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3/2Co,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13375,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.593,IEXXNGVQCLMTKU-UHFFFAOYSA-H,,,,,,,,,,,
100.011.595,212-753-4,866-83-1,"Potassium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",dihydrogen potassium citrate,[K+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[K+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-3",C6H8O7.K,,,,,,WKZJASQVARUVAW-UHFFFAOYSA-K,,,,,,,,,,,
100.011.598,212-757-6,867-13-0,Triethyl phosphonoacetate,ethyl (diethoxyphosphoryl)acetate,CCOC(=O)CP(=O)(OCC)OCC,CCOC(=O)CP(=O)(OCC)OCC,"InChI=1/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3",C8H17O5P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11013,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.598,GGUBFICZYGKNTD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.602,212-761-8,867-55-0,Lithium lactate,lithium 2-hydroxypropanoate,[Li+].CC(O)C(=O)[O-],[Li+].CC(O)C(=O)[O-],"InChI=1/C3H6O3.Li/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",C3H6O3.Li,,,,,,GKQWYZBANWAFMQ-UHFFFAOYSA-M,,,,,,,,,,,
100.011.603,212-762-3,867-56-1,Sodium (S)-lactate,sodium 2-hydroxypropanoate,[Na+].C[C@H](O)C(=O)[O-],[Na+].C[C@H](O)C(=O)[O-],"InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",C3H6O3.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13841,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.603,NGSFWBMYFKHRBD-DKWTVANSSA-M,,,,,,,,,,,
100.011.605,212-764-4,867-63-0,Dierbium trioxalate,dierbium trioxalate,[Er+3].[Er+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Er+3].[Er+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Er/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C6Er2O12,,,,,,CKCGDQBLLXRIBQ-UHFFFAOYSA-H,,,,,,,,,,,
100.011.616,212-777-5,868-54-2,"3-aminoprop-1-ene-1,1,3-tricarbonitrile","3-aminoprop-1-ene-1,1,3-tricarbonitrile",NC(C=C(C#N)C#N)C#N,NC(C=C(C#N)C#N)C#N,"InChI=1/C6H4N4/c7-2-5(3-8)1-6(10)4-9/h1,6H,10H2",C6H4N4,,,,,,QKEYVWGZYXEOBT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.483,212-631-0,833-66-9,Potassium 6-hydroxynaphthalene-2-sulphonate,potassium 6-hydroxynaphthalene-2-sulfonate,[K+].Oc1ccc2cc(ccc2c1)S(=O)(=O)[O-],[K+].Oc1ccc2cc(ccc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O4S.K/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.K,,,,,,PZWWSVPMGHDZNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.011.486,212-634-7,834-12-8,Ametryn,"N-ethyl-N'-isopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CCNc1nc(NC(C)C)nc(SC)n1,CCNc1nc(NC(C)C)nc(SC)n1,"InChI=1/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)",C9H17N5S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2171,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.486,RQVYBGPQFYCBGX-UHFFFAOYSA-N,Positive,SM842801;EQ303401|EQ303402|EQ303403|EQ303404|EQ303405|EQ303406;UF404801|UF404802|UF404803|UF404804,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD55|HCD80|CID35|CID55,228.1278:186.0808:96.0556;228.1279:186.0809:96.0555|228.1279:186.0808:96.0556|186.0808:228.1278:96.0556|186.0809:96.0556:91.0324|96.0557:186.0809:68.0243|68.0243:96.0557:71.0604;186.0807:228.1278:96.0556|96.0555:116.0276:186.0806|186.0807:228.1277:96.0556|186.0806:138.1026:96.0556,CASMI_2016;Eawag;UFZ,,,,,
100.011.487,212-635-2,834-17-3,m-(benzyloxy)toluene,1-(benzyloxy)-3-methylbenzene,Cc1cccc(OCc2ccccc2)c1,Cc1cccc(OCc2ccccc2)c1,"InChI=1/C14H14O/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3",C14H14O,,,,,,FRQUHSBKTAMSDF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.491,212-639-4,835-11-0,"2,2'-dihydroxybenzophenone",bis(2-hydroxyphenyl)methanone,Oc1ccccc1C(=O)c2ccccc2O,Oc1ccccc1C(=O)c2ccccc2O,"InChI=1/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H",C13H10O3,,,,,,YIYBRXKMQFDHSM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.493,212-642-0,835-64-3,2-benzoxazol-2-ylphenol,"2-(1,3-benzoxazol-2-yl)phenol",Oc1ccccc1c2oc3ccccc3n2,Oc1ccccc1c2oc3ccccc3n2,"InChI=1/C13H9NO2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H",C13H9NO2,,,,,,GHGZVWOTJDLREY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.502,213-752-1,1007-32-5,1-phenylbutan-2-one,1-phenylbutan-2-one,CCC(=O)Cc1ccccc1,CCC(=O)Cc1ccccc1,"InChI=1/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12O,,,,,,GKDLTXYXODKDEA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.515,213-766-8,1009-11-6,4'-hydroxybutyrophenone,1-(4-hydroxyphenyl)butan-1-one,CCCC(=O)c1ccc(O)cc1,CCCC(=O)c1ccc(O)cc1,"InChI=1/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3",C10H12O2,,,,,,GFBLPULLSAPXDC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.518,213-769-4,1009-61-6,"1,4-diacetylbenzene","1,1'-(1,4-phenylene)diethanone",CC(=O)c1ccc(cc1)C(=O)C,CC(=O)c1ccc(cc1)C(=O)C,"InChI=1/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3",C10H10O2,,,,,,SKBBQSLSGRSQAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.520,213-772-0,1009-89-8,Azacycloundecan-2-one,azacycloundecan-2-one,O=C1CCCCCCCCCN1,O=C1CCCCCCCCCN1,"InChI=1/C10H19NO/c12-10-8-6-4-2-1-3-5-7-9-11-10/h1-9H2,(H,11,12)",C10H19NO,,,,,,WULPUQZASCZTPO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.521,213-773-6,1009-93-4,"2,2,4,4,6,6-hexamethylcyclotrisilazane","2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinane",C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1,C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1,"InChI=1/C6H21N3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-9H,1-6H3",C6H21N3Si3,,,,,,WGGNJZRNHUJNEM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.522,213-774-1,1010-19-1,"N,N,N-triethylanilinium iodide","N,N,N-triethylanilinium iodide",[I-].CC[N+](CC)(CC)c1ccccc1,[I-].CC[N+](CC)(CC)c1ccccc1,"InChI=1/C12H20N.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1",C12H20N.I,,,,,,WMSWXWGJYOIACA-UHFFFAOYSA-M,,,,,,,,,,,
100.011.079,212-187-8,767-69-1,6-bromo-1H-purine,6-bromo-1H-purine,Brc1[nH]cnc2ncnc12,Brc1[nH]cnc2ncnc12,"InChI=1/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)",C5H3BrN4,,,,,,CTGFGRDVWBZYNB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.086,212-195-1,768-50-3,1-(cyclohexenyl)acetone,1-cyclohex-1-en-1-ylacetone,CC(=O)CC1=CCCCC1,CC(=O)CC1=CCCCC1,"InChI=1/C9H14O/c1-8(10)7-9-5-3-2-4-6-9/h5H,2-4,6-7H2,1H3",C9H14O,,,,,,RDOUKLWMBUMPIX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.090,212-199-3,768-66-1,"2,2,6,6-tetramethylpiperidine","2,2,6,6-tetramethylpiperidine",CC1(C)CCCC(C)(C)N1,CC1(C)CCCC(C)(C)N1,"InChI=1/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3",C9H19N,,,,,,RKMGAJGJIURJSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.102,212-212-2,769-59-5,3-phenylbutan-2-one,3-phenylbutan-2-one,CC(C(=O)C)c1ccccc1,CC(C(=O)C)c1ccccc1,"InChI=1/C10H12O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3",C10H12O,,,,,,CVWMNAWLNRRPOL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.105,212-215-9,769-92-6,p-tert-butylaniline,4-tert-butylaniline,CC(C)(C)c1ccc(N)cc1,CC(C)(C)c1ccc(N)cc1,"InChI=1/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3",C10H15N,,,,,,WRDWWAVNELMWAM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.894,213-083-5,922-67-8,Methyl propiolate,methyl propiolate,COC(=O)C#C,COC(=O)C#C,"InChI=1/C4H4O2/c1-3-4(5)6-2/h1H,2H3",C4H4O2,,,,,,IMAKHNTVDGLIRY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.897,213-086-1,923-02-4,N-(hydroxymethyl)methacrylamide,N-(hydroxymethyl)-2-methylacrylamide,CC(=C)C(=O)NCO,CC(=C)C(=O)NCO,"InChI=1/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8)",C5H9NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13216,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.897,DNTMQTKDNSEIFO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.899,213-088-2,923-09-1,Potassium hydrogen DL-aspartate,potassium hydrogen 2-aminosuccinate,[K+].N[C@@H](CC(=O)[O-])C(=O)[O-],[K+].N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-2",C4H7NO4.K,,,,,,TXXVQZSTAVIHFD-DKWTVANSSA-L,,,,,,,,,,,
100.011.900,213-089-8,923-14-8,Barium silver 2-(phosphonatooxy)acrylate,barium silver(1+) 2-(phosphonatooxy)acrylate,[Ag+].[Ba+2].[O-]C(=O)C(=C)OP(=O)([O-])[O-],[Ag+].[Ba+2].[O-]C(=O)C(=C)OP(=O)([O-])[O-],"InChI=1/C3H5O6P.Ag.Ba/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;/q;+1;+2/p-3",C3H5O6P.Ag.Ba,,,,,,BTTWLCCJBYXNRM-UHFFFAOYSA-K,,,,,,,,,,,
100.011.901,213-090-3,923-26-2,2-hydroxypropyl methacrylate,2-hydroxypropyl methacrylate,CC(O)COC(=O)C(=C)C,CC(O)COC(=O)C(=C)C,"InChI=1/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3",C7H12O3,,,,,,VHSHLMUCYSAUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.903,213-092-4,923-28-4,2-methyloctan-3-one,2-methyloctan-3-one,CCCCCC(=O)C(C)C,CCCCCC(=O)C(C)C,"InChI=1/C9H18O/c1-4-5-6-7-9(10)8(2)3/h8H,4-7H2,1-3H3",C9H18O,,,,,,ODSKXCNVESXQCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.904,213-094-5,923-32-0,DL-cystine,L-cystine,N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O,N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O,"InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",C6H12N2O4S2,,,,,,LEVWYRKDKASIDU-IMJSIDKUSA-N,,,,,,,,,,,
100.011.916,213-106-9,924-49-2,(±)-4-amino-3-hydroxybutyric acid,4-amino-3-hydroxybutanoic acid,NCC(O)CC(=O)O,NCC(O)CC(=O)O,"InChI=1/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)",C4H9NO3,,,,,,YQGDEPYYFWUPGO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.917,213-107-4,924-50-5,Methyl 3-methyl-2-butenoate,methyl 3-methylbut-2-enoate,COC(=O)C=C(C)C,COC(=O)C=C(C)C,"InChI=1/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3",C6H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10290,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.917,FZIBCCGGICGWBP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.918,213-109-5,924-83-4,Isopropyl hydrogen maleate,4-isopropoxy-4-oxobut-2-enoic acid,CC(C)OC(=O)\\C=C/C(=O)O,CC(C)OC(=O)\C=C/C(=O)O,"InChI=1/C7H10O4/c1-5(2)11-7(10)4-3-6(8)9/h3-5H,1-2H3,(H,8,9)",C7H10O4,,,,,,FWUIHQFQLSWYED-ARJAWSKDSA-N,,,,,,,,,,,
100.011.920,213-111-6,925-03-1,Propyl hydrogen maleate,4-oxo-4-propoxybut-2-enoic acid,CCCOC(=O)\\C=C/C(=O)O,CCCOC(=O)\C=C/C(=O)O,"InChI=1/C7H10O4/c1-2-5-11-7(10)4-3-6(8)9/h3-4H,2,5H2,1H3,(H,8,9)",C7H10O4,,,,,,AYAUWVRAUCDBFR-ARJAWSKDSA-N,,,,,,,,,,,
100.011.924,213-115-8,925-16-6,Diallyl succinate,diallyl succinate,C=CCOC(=O)CCC(=O)OCC=C,C=CCOC(=O)CCC(=O)OCC=C,"InChI=1/C10H14O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-4H,1-2,5-8H2",C10H14O4,,,,,,HABAXTXIECRCKH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.926,213-117-9,925-47-3,"Diethyl 2,2'-thiodiacetate","diethyl 2,2'-sulfanediyldiacetate",CCOC(=O)CSCC(=O)OCC,CCOC(=O)CSCC(=O)OCC,"InChI=1/C8H14O4S/c1-3-11-7(9)5-13-6-8(10)12-4-2/h3-6H2,1-2H3",C8H14O4S,,,,,,TVCSSJHLVLMADJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.927,213-118-4,925-54-2,2-methylhexanal,2-methylhexanal,CCCCC(C)C=O,CCCCC(C)C=O,"InChI=1/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3",C7H14O,,,,,,BHVGMUDWABJNRC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.894,206-483-6,348-67-4,D-methionine,D-methionine,CSCC[C@@H](N)C(=O)O,CSCC[C@@H](N)C(=O)O,"InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2S,,,,,,FFEARJCKVFRZRR-SCSAIBSYSA-N,,,,,,,,,,,
100.005.896,206-485-7,349-20-2,2-(4-chlorophenoxy)-5-(trifluoromethyl)aniline,2-(4-chlorophenoxy)-5-(trifluoromethyl)aniline,Nc1cc(ccc1Oc2ccc(Cl)cc2)C(F)(F)F,Nc1cc(ccc1Oc2ccc(Cl)cc2)C(F)(F)F,"InChI=1/C13H9ClF3NO/c14-9-2-4-10(5-3-9)19-12-6-1-8(7-11(12)18)13(15,16)17/h1-7H,18H2",C13H9ClF3NO,,,,,,NOJRAHDRZWZNMV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.898,206-487-8,349-55-3,5-(trifluoromethyl)-m-anisidine,3-methoxy-5-(trifluoromethyl)aniline,COc1cc(N)cc(c1)C(F)(F)F,COc1cc(N)cc(c1)C(F)(F)F,"InChI=1/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3",C8H8F3NO,,,,,,VTFGJEYZCUWSAM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.899,206-488-3,349-58-6,"a,a,a,a',a',a'-hexafluoro-3,5-xylenol","3,5-bis(trifluoromethyl)phenol",Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F,Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H",C8H4F6O,,,,,,ODSXJQYJADZFJX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.901,206-490-4,349-76-8,3'-(trifluoromethyl)acetophenone,1-[3-(trifluoromethyl)phenyl]ethanone,CC(=O)c1cccc(c1)C(F)(F)F,CC(=O)c1cccc(c1)C(F)(F)F,"InChI=1/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3",C9H7F3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11747,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.901,ABXGMGUHGLQMAW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.904,206-494-6,349-95-1,4-(trifluoromethyl)benzylic alcohol,[4-(trifluoromethyl)phenyl]methanol,OCc1ccc(cc1)C(F)(F)F,OCc1ccc(cc1)C(F)(F)F,"InChI=1/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2",C8H7F3O,,,,,,MOOUWXDQAUXZRG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.905,206-495-1,349-97-3,N-[4-(trifluoromethyl)phenyl]acetamide,N-[4-(trifluoromethyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)C(F)(F)F,CC(=O)Nc1ccc(cc1)C(F)(F)F,"InChI=1/C9H8F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3,(H,13,14)",C9H8F3NO,,,,,,DFDHFECLWHHELH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.910,206-500-7,350-31-2,1-chloro-2-fluoro-4-nitrobenzene,1-chloro-2-fluoro-4-nitrobenzene,[O-][N+](=O)c1ccc(Cl)c(F)c1,[O-][N+](=O)c1ccc(Cl)c(F)c1,InChI=1/C6H3ClFNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,C6H3ClFNO2,,,,,,CSSSAKOGRYYMSA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.911,206-501-2,350-40-3,1-fluoro-4-(isopropenyl)benzene,1-fluoro-4-isopropenylbenzene,CC(=C)c1ccc(F)cc1,CC(=C)c1ccc(F)cc1,"InChI=1/C9H9F/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3",C9H9F,,,,,,VIXHMBLBLJSGIB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.914,206-504-9,350-51-6,3-fluorostyrene,1-fluoro-3-vinylbenzene,Fc1cccc(C=C)c1,Fc1cccc(C=C)c1,"InChI=1/C8H7F/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2",C8H7F,,,,,,ZJSKEGAHBAHFON-UHFFFAOYSA-N,,,,,,,,,,,
100.005.916,206-507-5,350-70-9,Tris(trifluoroacetoxy)borane,tris(trifluoroacetyl) borate,FC(F)(F)C(=O)OB(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F,FC(F)(F)C(=O)OB(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F,"InChI=1/C6BF9O6/c8-4(9,10)1(17)20-7(21-2(18)5(11,12)13)22-3(19)6(14,15)16",C6BF9O6,,,,,,CWBHKBKGKCDGDM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.919,206-510-1,351-32-6,N-(4-fluoro-3-nitrophenyl)acetamide,N-(4-fluoro-3-nitrophenyl)acetamide,CC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-],CC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-],"InChI=1/C8H7FN2O3/c1-5(12)10-6-2-3-7(9)8(4-6)11(13)14/h2-4H,1H3,(H,10,12)",C8H7FN2O3,,,,,,KLHCAOSRFFAKQV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.920,206-511-7,351-35-9,"(a,a,a-trifluoro-3-tolyl)acetic acid",[3-(trifluoromethyl)phenyl]acetic acid,OC(=O)Cc1cccc(c1)C(F)(F)F,OC(=O)Cc1cccc(c1)C(F)(F)F,"InChI=1/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)",C9H7F3O2,,,,,,BLXXCCIBGGBDHI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.921,206-512-2,351-36-0,3'-trifluoromethylacetanilide,N-[3-(trifluoromethyl)phenyl]acetamide,CC(=O)Nc1cccc(c1)C(F)(F)F,CC(=O)Nc1cccc(c1)C(F)(F)F,"InChI=1/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)",C9H8F3NO,,,,,,HNIPNANLYHXYDE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.925,206-516-4,352-11-4,a-chloro-4-fluorotoluene,1-(chloromethyl)-4-fluorobenzene,Fc1ccc(CCl)cc1,Fc1ccc(CCl)cc1,"InChI=1/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",C7H6ClF,,,,,,IZXWCDITFDNEBY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.930,206-522-7,352-34-1,4-fluoroiodobenzene,1-fluoro-4-iodobenzene,Fc1ccc(I)cc1,Fc1ccc(I)cc1,InChI=1/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H,C6H4FI,,,,,,KGNQDBQYEBMPFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.931,206-523-2,352-67-0,"p,a,a,a-tetrafluoroanisole",1-fluoro-4-(trifluoromethoxy)benzene,Fc1ccc(OC(F)(F)F)cc1,Fc1ccc(OC(F)(F)F)cc1,"InChI=1/C7H4F4O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H",C7H4F4O,,,,,,JULMJGDXANEQDP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.935,206-527-4,352-96-5,(2-cyanoethyl)ammonium hydrogen fumarate,2-cyanoethanaminium hydrogen but-2-enedioate,[NH3+]CCC#N.[O-]C(=O)\\C=C\\C(=O)[O-],[NH3+]CCC#N.[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.C3H6N2/c5-3(6)1-2-4(7)8;4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);1-2,4H2/p-1",C4H4O4.C3H6N2,,,,,,NYPGBHKJFKQTIY-TYYBGVCCSA-M,,,,,,,,,,,
100.005.938,206-531-6,353-36-6,Fluoroethane,fluoroethane,CCF,CCF,"InChI=1/C2H5F/c1-2-3/h2H2,1H3",C2H5F,,,,,,UHCBBWUQDAVSMS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.453,210-396-9,614-80-2,2'-hydroxyacetanilide,N-(2-hydroxyphenyl)acetamide,CC(=O)Nc1ccccc1O,CC(=O)Nc1ccccc1O,"InChI=1/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)",C8H9NO2,,,,,,ADVGKWPZRIDURE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.460,210-405-6,615-01-0,4-nitroso-m-cresol,3-methyl-4-nitrosophenol,Cc1cc(O)ccc1N=O,Cc1cc(O)ccc1N=O,"InChI=1/C7H7NO2/c1-5-4-6(9)2-3-7(5)8-10/h2-4,9H,1H3",C7H7NO2,,,,,,XGCZABZDVJOWTL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.461,210-406-1,615-05-4,4-methoxy-m-phenylenediamine,"4-methoxybenzene-1,3-diamine",COc1ccc(N)cc1N,COc1ccc(N)cc1N,"InChI=1/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3",C7H10N2O,,,,,,BAHPQISAXRFLCL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.280,211-307-6,637-89-8,p-mercaptophenol,4-sulfanylphenol,Oc1ccc(S)cc1,Oc1ccc(S)cc1,"InChI=1/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H",C6H6OS,,,,,,BXAVKNRWVKUTLY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.285,211-312-3,638-00-6,"2,4-dimethylthiophene","2,4-dimethylthiophene",Cc1csc(C)c1,Cc1csc(C)c1,"InChI=1/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3",C6H8S,,,,,,CPULIKNSOUFMPL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.289,211-317-0,638-07-3,Ethyl 4-chloroacetoacetate,ethyl 4-chloro-3-oxobutanoate,CCOC(=O)CC(=O)CCl,CCOC(=O)CC(=O)CCl,"InChI=1/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3",C6H9ClO3,,,,,,OHLRLMWUFVDREV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.291,211-319-1,638-10-8,Ethyl 3-methylcrotonate,ethyl 3-methylbut-2-enoate,CCOC(=O)C=C(C)C,CCOC(=O)C=C(C)C,"InChI=1/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3",C7H12O2,,,,,,UTXVCHVLDOLVPC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.294,211-322-8,638-16-4,"1,3,5-triazine-2,4,6(1H,3H,5H)-trithione","1,3,5-triazinane-2,4,6-trithione",S=C1NC(=S)NC(=S)N1,S=C1NC(=S)NC(=S)N1,"InChI=1/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)",C3H3N3S3,,,,,,WZRRRFSJFQTGGB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.297,211-325-4,638-21-1,Phenylphosphine,phenylphosphine,Pc1ccccc1,Pc1ccccc1,"InChI=1/C6H7P/c7-6-4-2-1-3-5-6/h1-5H,7H2",C6H7P,,,,,,RPGWZZNNEUHDAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.298,211-327-5,638-23-3,Carbocisteine,S-(carboxymethyl)cysteine,NC(CSCC(=O)O)C(=O)O,NC(CSCC(=O)O)C(=O)O,"InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)",C5H9NO4S,,,,,,GBFLZEXEOZUWRN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.299,211-328-0,638-25-5,Pentyl octanoate,pentyl octanoate,CCCCCCCC(=O)OCCCCC,CCCCCCCC(=O)OCCCCC,"InChI=1/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3",C13H26O2,,,,,,GJWGZSBNFSBUPX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.301,211-330-1,638-29-9,Valeryl chloride,pentanoyl chloride,CCCCC(=O)Cl,CCCCC(=O)Cl,"InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3",C5H9ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13405,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.301,XGISHOFUAFNYQF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.302,211-331-7,638-32-4,Succinamic acid,4-amino-4-oxobutanoic acid,NC(=O)CCC(=O)O,NC(=O)CCC(=O)O,"InChI=1/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)",C4H7NO3,,,,,,JDVPQXZIJDEHAN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.303,211-332-2,638-36-8,"2,6,10,14-tetramethylhexadecane","2,6,10,14-tetramethylhexadecane",CCC(C)CCCC(C)CCCC(C)CCCC(C)C,CCC(C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3",C20H42,,,,,,GGYKPYDKXLHNTI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.306,211-335-9,638-39-1,Tin di(acetate),-,[Sn+4].CC(=O)[O-].CC(=O)[O-],[Sn+4].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Sn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+4/p-2",C2H4O2.1/2Sn,,,,,,BCHNAWAIRDXOOE-UHFFFAOYSA-L,,,,,,,,,,,
100.010.307,211-336-4,638-41-5,Pentyl chloroformate,pentyl chlorocarbonate,CCCCCOC(=O)Cl,CCCCCOC(=O)Cl,"InChI=1/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3",C6H11ClO2,,,,,,XHRRYUDVWPPWIP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.320,211-351-6,638-94-8,Desonide,"6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3",C24H32O6,,,,,,WBGKWQHBNHJJPZ-LECWWXJVSA-N,,,,,,,,,,,
100.010.324,211-355-8,639-46-3,Morphine N-oxide,"3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol 3-oxide",C[N+]1([O-])CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,C[N+]1([O-])CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,"InChI=1/C17H19NO4/c1-18(21)7-6-17-10-3-5-13(20)16(17)22-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3",C17H19NO4,,,,,,AMAPEXTUMXQULJ-APQDOHRLSA-N,,,,,,,,,,,
100.010.328,211-360-5,639-99-6,"(1S,2S,4R)-(-)-a,a-dimethyl-1-vinyl-o-menth-8-ene-4-methanol",2-(3-isopropenyl-4-methyl-4-vinylcyclohexyl)propan-2-ol,CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O,CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O,"InChI=1/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3",C15H26O,,,,,,GFJIQNADMLPFOW-VNHYZAJKSA-N,,,,,,,,,,,
100.012.528,213-780-4,1011-15-0,1-(2-fluorophenyl)piperazine,1-(2-fluorophenyl)piperazine,Fc1ccccc1N2CCNCC2,Fc1ccccc1N2CCNCC2,"InChI=1/C10H13FN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2",C10H13FN2,,,,,,IVTZRJKKXSKXKO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.531,213-784-6,1011-50-3,Quinoline-2-ethanol,2-quinolin-2-ylethanol,OCCc1ccc2ccccc2n1,OCCc1ccc2ccccc2n1,"InChI=1/C11H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-6,13H,7-8H2",C11H11NO,,,,,,VPDAGUVEZGEHJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.314,213-545-6,972-20-3,1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile,1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile,Clc1ccc(NC2(CCN(Cc3ccccc3)CC2)C#N)cc1,Clc1ccc(NC2(CCN(Cc3ccccc3)CC2)C#N)cc1,"InChI=1/C19H20ClN3/c20-17-6-8-18(9-7-17)22-19(15-21)10-12-23(13-11-19)14-16-4-2-1-3-5-16/h1-9,22H,10-14H2",C19H20ClN3,,,,,,VVMOFVNFPBAHLP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.317,213-548-2,974-23-2,"16-a,17-a-epoxy-3-ß-hydroxypregn-5-en-20-one","3-hydroxy-16,17-epoxypregn-5-en-20-one",CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C,CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C,"InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3",C21H30O3,,,,,,UQVIXFCYKBWZPJ-XXHSLLPRSA-N,,,,,,,,,,,
100.012.321,213-552-4,976-70-5,"3-oxopregn-4-ene-21,17a-carbolactone","10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione",CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC45CCC(=O)O5,CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC45CCC(=O)O5,"InChI=1/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3",C22H30O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1912,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.321,UWBICEKKOYXZRG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.331,213-563-4,981-34-0,"9ß,11ß-epoxy-17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione","17,21-dihydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3",C22H28O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18913,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.331,GBDXNHBVYAMODG-DEGNENOVSA-N,,,,,,,,,,,
100.012.332,213-565-5,982-06-9,"16-methyl-20-oxopregna-5,16-dien-3-ß-yl acetate","16-methyl-20-oxopregna-5,16-dien-3-yl acetate",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC(=C4C(=O)C)C)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC(=C4C(=O)C)C)[C@@H]3CC=C2C1,"InChI=1/C24H34O3/c1-14-12-21-19-7-6-17-13-18(27-16(3)26)8-10-23(17,4)20(19)9-11-24(21,5)22(14)15(2)25/h6,18-21H,7-13H2,1-5H3",C24H34O3,,,,,,NELMHAIFXJZDST-HHNLCZHGSA-N,,,,,,,,,,,
100.012.333,213-566-0,982-24-1,Clopenthixol,2-{4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazin-1-yl}ethanol,OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(Cl)cc23,OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(Cl)cc23,"InChI=1/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2",C22H25ClN2OS,,,,,,WFPIAZLQTJBIFN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.340,213-573-9,985-13-7,Ethaverine hydrochloride,"1-(3,4-diethoxybenzyl)-6,7-diethoxyisoquinoline hydrochloride",Cl.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC,Cl.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC,"InChI=1/C24H29NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-12,14-16H,5-8,13H2,1-4H3;1H",C24H29NO4.ClH,,,,,,UPUDVKWQBVIKBG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.353,213-588-0,990-73-8,Fentanyl dihydrogen citrate,"N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C22H28N2O.C6H8O7,,,,,,IVLVTNPOHDFFCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.903,211-992-1,733-44-8,Tetraethylammonium p-toluenesulphonate,"N,N,N-triethylethanaminium 4-methylbenzenesulfonate",CC[N+](CC)(CC)CC.Cc1ccc(cc1)S(=O)(=O)[O-],CC[N+](CC)(CC)CC.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C8H20N.C7H8O3S/c1-5-9(6-2,7-3)8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C8H20N.C7H7O3S,,,,,,QKFFSWPNFCXGIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.010.905,211-994-2,734-25-8,N-(p-nitrophenyl)-p-toluenesulphonamide,4-methyl-N-(4-nitrophenyl)benzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)[N+](=O)[O-],Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H12N2O4S/c1-10-2-8-13(9-3-10)20(18,19)14-11-4-6-12(7-5-11)15(16)17/h2-9,14H,1H3",C13H12N2O4S,,,,,,ACOIHAFYVPPSOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.908,211-997-9,734-88-3,"Ethyl 5,6-benzocoumarin-3-carboxylate",ethyl 3-oxo-3H-benzo[f]chromene-2-carboxylate,CCOC(=O)C1=Cc2c(OC1=O)ccc3ccccc23,CCOC(=O)C1=Cc2c(OC1=O)ccc3ccccc23,"InChI=1/C16H12O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-9H,2H2,1H3",C16H12O4,,,,,,FYOZSKRVTISLHE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.930,213-122-6,925-72-4,(E)-3-methylpent-3-en-1-yl acetate,3-methylpent-3-en-1-yl acetate,C\\C=C(/C)\\CCOC(=O)C,C\C=C(/C)\CCOC(=O)C,"InChI=1/C8H14O2/c1-4-7(2)5-6-10-8(3)9/h4H,5-6H2,1-3H3",C8H14O2,,,,,,FYLHKYNEKGQLFR-QPJJXVBHSA-N,,,,,,,,,,,
100.011.932,213-124-7,925-76-8,N-[2-(dimethylamino)ethyl]acrylamide,N-[2-(dimethylamino)ethyl]acrylamide,CN(C)CCNC(=O)C=C,CN(C)CCNC(=O)C=C,"InChI=1/C7H14N2O/c1-4-7(10)8-5-6-9(2)3/h4H,1,5-6H2,2-3H3,(H,8,10)",C7H14N2O,,,,,,WDQKICIMIPUDBL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.933,213-125-2,925-78-0,Nonan-3-one,nonan-3-one,CCCCCCC(=O)CC,CCCCCCC(=O)CC,"InChI=1/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3",C9H18O,,,,,,IYTXKIXETAELAV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.936,213-128-9,925-93-9,Ethyl [2]alcohol,ethanol,CCO,CCO,"InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3",C2H5DO,,,,,,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.942,213-135-7,926-39-6,2-aminoethyl hydrogen sulphate,2-aminoethyl hydrogen sulfate,NCCOS(=O)(=O)O,NCCOS(=O)(=O)O,"InChI=1/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)",C2H7NO4S,,,,,,WSYUEVRAMDSJKL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.465,210-410-3,615-13-4,Indan-2-one,"1,3-dihydro-2H-inden-2-one",O=C1Cc2ccccc2C1,O=C1Cc2ccccc2C1,"InChI=1/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2",C9H8O,,,,,,UMJJFEIKYGFCAT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.467,210-412-4,615-16-7,2-hydroxybenzimidazole,1H-benzimidazol-2-ol,Oc1nc2ccccc2[nH]1,Oc1nc2ccccc2[nH]1,"InChI=1/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)",C7H6N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1876,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.467,SILNNFMWIMZVEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.468,210-414-5,615-18-9,2-chlorobenzoxazole,"2-chloro-1,3-benzoxazole",Clc1oc2ccccc2n1,Clc1oc2ccccc2n1,InChI=1/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,C7H4ClNO,,,,,,BBVQDWDBTWSGHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.473,210-419-2,615-29-2,4-methylhexan-3-ol,4-methylhexan-3-ol,CCC(C)C(O)CC,CCC(C)C(O)CC,"InChI=1/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3",C7H16O,,,,,,NZPGYIBESMMUFU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.475,210-421-3,615-36-1,2-bromoaniline,2-bromoaniline,Nc1ccccc1Br,Nc1ccccc1Br,"InChI=1/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",C6H6BrN,,,,,,AOPBDRUWRLBSDB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.476,210-422-9,615-37-2,2-iodotoluene,1-iodo-2-methylbenzene,Cc1ccccc1I,Cc1ccccc1I,"InChI=1/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",C7H7I,,,,,,RINOYHWVBUKAQE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.478,210-425-5,615-42-9,"1,2-diiodobenzene","1,2-diiodobenzene",Ic1ccccc1I,Ic1ccccc1I,InChI=1/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4I2,,,,,,BBOLNFYSRZVALD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.493,210-441-2,615-66-7,2-chloro-p-phenylenediamine,"2-chlorobenzene-1,4-diamine",Nc1ccc(N)c(Cl)c1,Nc1ccc(N)c(Cl)c1,"InChI=1/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2",C6H7ClN2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17518,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.493,MGLZGLAFFOMWPB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.496,210-444-9,615-74-7,6-chloro-m-cresol,2-chloro-5-methylphenol,Cc1ccc(Cl)c(O)c1,Cc1ccc(Cl)c(O)c1,"InChI=1/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3",C7H7ClO,,,,,,SMFHPCZZAAMJJO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.507,210-456-4,615-98-5,Dipropyl oxalate,dipropyl oxalate,CCCOC(=O)C(=O)OCCC,CCCOC(=O)C(=O)OCCC,"InChI=1/C8H14O4/c1-3-5-11-7(9)8(10)12-6-4-2/h3-6H2,1-2H3",C8H14O4,,,,,,HZHMMLIMOUNKCK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.511,210-461-1,616-05-7,2-bromohexanoic acid,2-bromohexanoic acid,CCCCC(Br)C(=O)O,CCCCC(Br)C(=O)O,"InChI=1/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)",C6H11BrO2,,,,,,HZTPKMIMXLTOSK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.519,210-470-0,616-23-9,"2,3-dichloropropan-1-ol","2,3-dichloropropan-1-ol",OCC(Cl)CCl,OCC(Cl)CCl,"InChI=1/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2",C3H6Cl2O,,,,,,ZXCYIJGIGSDJQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.336,211-368-9,640-68-6,D-valine,D-valine,CC(C)[C@@H](N)C(=O)O,CC(C)[C@@H](N)C(=O)O,"InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)",C5H11NO2,,,,,,KZSNJWFQEVHDMF-SCSAIBSYSA-N,,,,,,,,,,,
100.010.342,211-375-7,641-77-0,"11-ß,17-a-dihydroxypregn-4-ene-3,20-dione","11,17-dihydroxypregn-4-ene-3,20-dione",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3",C21H30O4,,,,,,LCZBQMKVFQNSJR-UJPCIWJBSA-N,,,,,,,,,,,
100.010.349,211-383-0,642-31-9,Anthracene-9-carbaldehyde,anthracene-9-carbaldehyde,O=Cc1c2ccccc2cc3ccccc13,O=Cc1c2ccccc2cc3ccccc13,InChI=1/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,C15H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18857,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.349,YMNKUHIVVMFOFO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.353,211-387-2,642-71-7,"3,4,5-trimethoxyphenol","3,4,5-trimethoxyphenol",COc1cc(O)cc(OC)c1OC,COc1cc(O)cc(OC)c1OC,"InChI=1/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3",C9H12O4,,,,,,VTCDZPUMZAZMSB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.942,206-535-8,353-54-8,Tribromofluoromethane,tribromo(fluoro)methane,FC(Br)(Br)Br,FC(Br)(Br)Br,"InChI=1/CBr3F/c2-1(3,4)5",CBr3F,,,,,,IHZAEIHJPNTART-UHFFFAOYSA-N,,,,,,,,,,,
100.005.944,206-537-9,353-59-3,Bromochlorodifluoromethane,bromo(chloro)difluoromethane,FC(F)(Cl)Br,FC(F)(Cl)Br,"InChI=1/CBrClF2/c2-1(3,4)5",CBrClF2,,,,,,MEXUFEQDCXZEON-UHFFFAOYSA-N,,,,,,,,,,,
100.005.955,206-549-4,354-23-4,"1,2-dichloro-1,1,2-trifluoroethane","1,2-dichloro-1,1,2-trifluoroethane",FC(Cl)C(F)(F)Cl,FC(Cl)C(F)(F)Cl,"InChI=1/C2HCl2F3/c3-1(5)2(4,6)7/h1H",C2HCl2F3,,,,,,YMRMDGSNYHCUCL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.962,206-557-8,354-33-6,Pentafluoroethane,"1,1,1,2,2-pentafluoroethane",FC(F)C(F)(F)F,FC(F)C(F)(F)F,"InChI=1/C2HF5/c3-1(4)2(5,6)7/h1H",C2HF5,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15415,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.962,GTLACDSXYULKMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.965,206-560-4,354-48-3,"1,1,1-tribromo-2,2,2-trifluoroethane","1,1,1-tribromo-2,2,2-trifluoroethane",FC(F)(F)C(Br)(Br)Br,FC(F)(F)C(Br)(Br)Br,"InChI=1/C2Br3F3/c3-1(4,5)2(6,7)8",C2Br3F3,,,,,,CALRXIQBQWFLRG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.966,206-562-5,354-51-8,"1,2-dibromo-1-chloro-1,2,2-trifluoroethane","1,2-dibromo-1-chloro-1,2,2-trifluoroethane",FC(F)(Br)C(F)(Cl)Br,FC(F)(Br)C(F)(Cl)Br,"InChI=1/C2Br2ClF3/c3-1(5,6)2(4,7)8",C2Br2ClF3,,,,,,OVZATIUQXBLIQT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.982,206-579-8,355-24-8,"1,4-dichloro-1,1,2,2,3,3,4,4-octafluorobutane","1,4-dichloro-1,1,2,2,3,3,4,4-octafluorobutane",FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)Cl,FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)Cl,"InChI=1/C4Cl2F8/c5-3(11,12)1(7,8)2(9,10)4(6,13)14",C4Cl2F8,,,,,,LGBGVSJBKFDYKH-UHFFFAOYSA-N,,,,,,,,,,,
100.004.743,205-217-6,135-73-9,Biphenyl-4-yl bromomethyl ketone,1-biphenyl-4-yl-2-bromoethanone,BrCC(=O)c1ccc(cc1)c2ccccc2,BrCC(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2",C14H11BrO,,,,,,KGHGZRVXCKCJGX-UHFFFAOYSA-N,,,,,,,,,,,
100.004.746,205-220-2,135-79-5,6-(isopropyl)quinoline,6-isopropylquinoline,CC(C)c1ccc2ncccc2c1,CC(C)c1ccc2ncccc2c1,"InChI=1/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3",C12H13N,,,,,,NKCQEIXYLHACJC-UHFFFAOYSA-N,,,,,,,,,,,
100.004.761,205-237-5,136-29-8,Potassium dibutyldithiocarbamate,potassium dibutyldithiocarbamate,[K+].CCCCN(CCCC)C(=S)[S-],[K+].CCCCN(CCCC)C(=S)[S-],"InChI=1/C9H19NS2.K/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1",C9H19NS2.K,,,,,,CTAGWAHHVKDYTF-UHFFFAOYSA-M,,,,,,,,,,,
100.004.763,205-239-6,136-32-3,"Sodium 2,4,5-trichlorophenolate","sodium 2,4,5-trichlorophenolate",[Na+].[O-]c1cc(Cl)c(Cl)cc1Cl,[Na+].[O-]c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H3Cl3O.Na/c7-3-1-5(9)6(10)2-4(3)8;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.Na,,,,,,KWFOMJTYKROHLX-UHFFFAOYSA-M,,,,,,,,,,,
100.004.768,205-244-3,136-44-7,Glycerol 1-(4-aminobenzoate),"2,3-dihydroxypropyl 4-aminobenzoate",Nc1ccc(cc1)C(=O)OCC(O)CO,Nc1ccc(cc1)C(=O)OCC(O)CO,"InChI=1/C10H13NO4/c11-8-3-1-7(2-4-8)10(14)15-6-9(13)5-12/h1-4,9,12-13H,5-6,11H2",C10H13NO4,,,,,,WHQOKFZWSDOTQP-UHFFFAOYSA-N,,,,,,,,,,,
100.004.772,205-249-0,136-51-6,Calcium bis(2-ethylhexanoate),calcium bis(2-ethylhexanoate),[Ca+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ca+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Ca/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ca,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13583,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.772,LTPCXXMGKDQPAO-UHFFFAOYSA-L,,,,,,,,,,,
100.004.773,205-250-6,136-52-7,Cobalt bis(2-ethylhexanoate),cobalt(2+) bis(2-ethylhexanoate),[Co+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Co+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Co,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14779,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.773,QAEKNCDIHIGLFI-UHFFFAOYSA-L,,,,,,,,,,,
100.004.777,205-254-8,136-69-6,Protokylol hydrochloride,"4-(2-{[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino}-1-hydroxyethyl)benzene-1,2-diol hydrochloride",Cl.CC(Cc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(O)c3,Cl.CC(Cc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(O)c3,"InChI=1/C18H21NO5.ClH/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13;/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3;1H",C18H21NO5.ClH,,,,,,LOVXREQUMZKFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.779,205-256-9,136-76-5,"2,5-dibutoxyaniline","2,5-dibutoxyaniline",CCCCOc1ccc(OCCCC)c(N)c1,CCCCOc1ccc(OCCCC)c(N)c1,"InChI=1/C14H23NO2/c1-3-5-9-16-12-7-8-14(13(15)11-12)17-10-6-4-2/h7-8,11H,3-6,9-10,15H2,1-2H3",C14H23NO2,,,,,,KGHVJZBVGOZVPN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.782,205-260-0,136-80-1,2-o-toluidinoethanol,2-[(2-methylphenyl)amino]ethanol,Cc1ccccc1NCCO,Cc1ccccc1NCCO,"InChI=1/C9H13NO/c1-8-4-2-3-5-9(8)10-6-7-11/h2-5,10-11H,6-7H2,1H3",C9H13NO,,,,,,DHZZPKMVVSTYLF-UHFFFAOYSA-N,,,,,,,,,,,
100.004.784,205-262-1,136-82-3,Piperocaine,3-(2-methylpiperidin-1-yl)propyl benzoate,CC1CCCCN1CCCOC(=O)c2ccccc2,CC1CCCCN1CCCOC(=O)c2ccccc2,"InChI=1/C16H23NO2/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3",C16H23NO2,,,,,,YQKAVWCGQQXBGW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.061,212-167-9,766-51-8,2-chloroanisole,1-chloro-2-methoxybenzene,COc1ccccc1Cl,COc1ccccc1Cl,"InChI=1/C7H7ClO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",C7H7ClO,,,,,,QGRPVMLBTFGQDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.063,212-170-5,766-77-8,Dimethylphenylsilane,dimethyl(phenyl)silane,C[SiH](C)c1ccccc1,C[SiH](C)c1ccccc1,"InChI=1/C8H12Si/c1-9(2)8-6-4-3-5-7-8/h3-7,9H,1-2H3",C8H12Si,,,,,,ZISUALSZTAEPJH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.066,212-173-1,766-85-8,3-iodoanisole,1-iodo-3-methoxybenzene,COc1cccc(I)c1,COc1cccc(I)c1,"InChI=1/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3",C7H7IO,,,,,,RSHBAGGASAJQCH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.071,212-178-9,767-08-8,Tetrahydrofuran-2-propan-1-ol,3-(tetrahydrofuran-2-yl)propan-1-ol,OCCCC1CCCO1,OCCCC1CCCO1,"InChI=1/C7H14O2/c8-5-1-3-7-4-2-6-9-7/h7-8H,1-6H2",C7H14O2,,,,,,XVYHFICIWQBZDI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.075,212-183-6,767-54-4,"trans-3,5,5-trimethylcyclohexan-1-ol","3,3,5-trimethylcyclohexanol",C[C@@H]1C[C@@H](O)CC(C)(C)C1,C[C@@H]1C[C@@H](O)CC(C)(C)C1,"InChI=1/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3",C9H18O,,,,,,BRRVXFOKWJKTGG-HTQZYQBOSA-N,,,,,,,,,,,
100.011.076,212-184-1,767-58-8,1-methylindan,1-methylindane,CC1CCc2ccccc12,CC1CCc2ccccc12,"InChI=1/C10H12/c1-8-6-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3",C10H12,,,,,,FIPKSKMDTAQBDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.081,212-189-9,767-92-0,trans-decahydroquinoline,decahydroquinoline,C1CC[C@@H]2NCCC[C@H]2C1,C1CC[C@@H]2NCCC[C@H]2C1,"InChI=1/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2",C9H17N,,,,,,POTIYWUALSJREP-BDAKNGLRSA-N,,,,,,,,,,,
100.011.082,212-190-4,768-03-6,1-phenyl-2-propen-1-one,1-phenylprop-2-en-1-one,C=CC(=O)c1ccccc1,C=CC(=O)c1ccccc1,"InChI=1/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2",C9H8O,,,,,,KUIZKZHDMPERHR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.084,212-193-0,768-33-2,Chlorodimethylphenylsilane,chloro(dimethyl)phenylsilane,C[Si](C)(Cl)c1ccccc1,C[Si](C)(Cl)c1ccccc1,"InChI=1/C8H11ClSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11ClSi,,,,,,KWYZNESIGBQHJK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.087,212-196-7,768-52-5,N-isopropylaniline,N-isopropylaniline,CC(C)Nc1ccccc1,CC(C)Nc1ccccc1,"InChI=1/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3",C9H13N,,,,,,FRCFWPVMFJMNDP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.091,212-200-7,768-90-1,"1-bromotricyclo[3.3.1.13,7]decane",1-bromoadamantane,BrC12CC3CC(CC(C3)C1)C2,BrC12CC3CC(CC(C3)C1)C2,"InChI=1/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2",C10H15Br,,,,,,VQHPRVYDKRESCL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.092,212-201-2,768-94-5,Amantadine,adamantan-1-amine,NC12CC3CC(CC(C3)C1)C2,NC12CC3CC(CC(C3)C1)C2,"InChI=1/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2",C10H17N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10878,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.092,DKNWSYNQZKUICI-UHFFFAOYSA-N,Positive,EQ312401|EQ312402|EQ312403|EQ312404|EQ312405|EQ312406;UF414701|UF414702|UF414703|UF414704,[M+H]+;[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD55|HCD80|CID35|CID55,135.1169:152.1435:81.07|135.1169:152.1435|135.1169:152.1436:79.0543|135.1169:152.1435:93.0699|135.1169:79.0543:93.07|135.1169:79.0543:93.0699;135.1174:152.1441|135.1173:152.1441|135.1174|135.1174,Eawag;UFZ,,,,,
100.011.094,212-203-3,769-10-8,2-fluoro-6-nitrotoluene,1-fluoro-2-methyl-3-nitrobenzene,Cc1c(F)cccc1[N+](=O)[O-],Cc1c(F)cccc1[N+](=O)[O-],"InChI=1/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3",C7H6FNO2,,,,,,GXPIVRKDWZKIKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.097,212-207-5,769-28-8,"2-hydroxy-4,6-dimethylnicotinonitrile","2-hydroxy-4,6-dimethylnicotinonitrile",Cc1cc(C)c(C#N)c(O)n1,Cc1cc(C)c(C#N)c(O)n1,"InChI=1/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)",C8H8N2O,,,,,,OCYMJCILWYHKAU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.099,212-209-6,769-39-1,"2,3,5,6-tetrafluorophenol","2,3,5,6-tetrafluorophenol",Oc1c(F)c(F)cc(F)c1F,Oc1c(F)c(F)cc(F)c1F,"InChI=1/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H",C6H2F4O,,,,,,PBYIIRLNRCVTMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.103,212-213-8,769-68-6,DL-2-phenylbutyronitrile,2-phenylbutanenitrile,CCC(C#N)c1ccccc1,CCC(C#N)c1ccccc1,"InChI=1/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3",C10H11N,,,,,,IZPUPXNVRNBDSW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.106,212-216-4,770-05-8,DL-a-(aminomethyl)-p-hydroxybenzylic alcohol hydrochloride,4-(2-amino-1-hydroxyethyl)phenol hydrochloride,Cl.NCC(O)c1ccc(O)cc1,Cl.NCC(O)c1ccc(O)cc1,"InChI=1/C8H11NO2.ClH/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,8,10-11H,5,9H2;1H",C8H11NO2.ClH,,,,,,PUMZXCBVHLCWQG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.108,212-219-0,770-10-5,Benzyltrichlorosilane,benzyl(trichloro)silane,Cl[Si](Cl)(Cl)Cc1ccccc1,Cl[Si](Cl)(Cl)Cc1ccccc1,"InChI=1/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7Cl3Si,,,,,,GONOPSZTUGRENK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.892,213-080-9,922-65-6,"Penta-1,4-dien-3-ol","penta-1,4-dien-3-ol",OC(C=C)C=C,OC(C=C)C=C,"InChI=1/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2",C5H8O,,,,,,ICMWSAALRSINTC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.893,213-081-4,922-66-7,Bromo(1-methylpropyl)magnesium,bromo(sec-butyl)magnesium,CCC(C)[Mg]Br,CCC(C)[Mg]Br,"InChI=1/C4H9.BrH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q;;+1/p-1/rC4H9BrMg/c1-3-4(2)6-5/h4H,3H2,1-2H3",C4H9BrMg,,,,,,JKRPRAXNRSMTPH-UHFFFAOYSA-M,,,,,,,,,,,
100.010.915,212-006-2,738-70-5,Trimethoprim,"5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine",COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,"InChI=1/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",C14H18N4O3,,,,,,IEDVJHCEMCRBQM-UHFFFAOYSA-N,Positive,mzcloud:1167,[M+H]+,HCD_Averaged,123.0665:230.11621:261.09822:275.11387:245.10330:110.0587:257.10330:81.04472,HighChem,,,,,
100.010.921,212-013-0,742-72-3,"2,2'-oxybis[5-methyl-5-propyl-1,3,2-dioxaphosphorinane] 2,2'-dioxide","2,2'-oxybis(5-methyl-5-propyl-1,3,2-dioxaphosphinane) 2,2'-dioxide",CCCC1(C)COP(=O)(OP2(=O)OCC(C)(CCC)CO2)OC1,CCCC1(C)COP(=O)(OP2(=O)OCC(C)(CCC)CO2)OC1,"InChI=1/C14H28O7P2/c1-5-7-13(3)9-17-22(15,18-10-13)21-23(16)19-11-14(4,8-6-2)12-20-23/h5-12H2,1-4H3",C14H28O7P2,,,,,,SFGBLTSSEHLCLG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.922,212-014-6,744-45-6,Diphenyl isophthalate,diphenyl isophthalate,O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3,O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3,InChI=1/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H,C20H14O4,,,,,,FHESUNXRPBHDQM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.931,212-024-0,749-02-0,Spiperone,"8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4,Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4,"InChI=1/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)",C23H26FN3O2,,,,,,DKGZKTPJOSAWFA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.937,212-030-3,751-94-0,Sodium fusidate,"sodium 2-(16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene)-6-methylhept-5-enoate",[Na+].[O-]C(=O)C(CC\\C=C(/C)C)=C4[C@H](C[C@@]2(C)[C@H]4C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C)OC(C)=O,[Na+].[O-]C(=O)C(CC\C=C(/C)C)=C4[C@H](C[C@@]2(C)[C@H]4C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C)OC(C)=O,"InChI=1/C31H48O6.Na/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);/q;+1/p-1",C31H48O6.Na,,,,,,HJHVQCXHVMGZNC-HDWZQLJBSA-M,,,,,,,,,,,
100.010.938,212-031-9,751-97-3,Rolitetracycline,"4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(pyrrolidin-1-ylmethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O,CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O,"InChI=1/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)",C27H33N3O8,,,,,,HMEYVGGHISAPJR-VQCPGFMQSA-N,,,,,,,,,,,
100.010.949,212-043-4,754-10-9,Pivalamide,pivalamide,CC(C)(C)C(=O)N,CC(C)(C)C(=O)N,"InChI=1/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)",C5H11NO,,,,,,XIPFMBOWZXULIA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.630,212-792-7,870-23-5,Prop-2-ene-1-thiol,prop-2-ene-1-thiol,SCC=C,SCC=C,"InChI=1/C3H6S/c1-2-3-4/h2,4H,1,3H2",C3H6S,,,,,,ULIKDJVNUXNQHS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.633,212-795-3,870-46-2,tert-butyl carbazate,tert-butyl hydrazinecarboxylate,CC(C)(C)OC(=O)NN,CC(C)(C)OC(=O)NN,"InChI=1/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)",C5H12N2O2,,,,,,DKACXUFSLUYRFU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.652,212-817-1,871-92-1,Octylsilane,octylsilane,CCCCCCCC[SiH3],CCCCCCCC[SiH3],"InChI=1/C8H20Si/c1-2-3-4-5-6-7-8-9/h2-8H2,1,9H3",C8H20Si,,,,,,FPLYNRPOIZEADP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.654,212-819-2,872-05-9,Dec-1-ene,dec-1-ene,CCCCCCCCC=C,CCCCCCCCC=C,"InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3",C10H20,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15149,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.654,AFFLGGQVNFXPEV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.656,212-821-3,872-31-1,3-bromothiophene,3-bromothiophene,Brc1ccsc1,Brc1ccsc1,InChI=1/C4H3BrS/c5-4-1-2-6-3-4/h1-3H,C4H3BrS,,,,,,XCMISAPCWHTVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.540,213-794-0,1013-22-5,"1-(2,3-xylyl)piperazine","1-(2,3-dimethylphenyl)piperazine",Cc1cccc(N2CCNCC2)c1C,Cc1cccc(N2CCNCC2)c1C,"InChI=1/C12H18N2/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3",C12H18N2,,,,,,LIKXJDINUMWKQA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.550,213-804-3,1015-89-0,Phenanthridin-6(5H)-one,phenanthridin-6(5H)-one,O=C1Nc2ccccc2c3ccccc13,O=C1Nc2ccccc2c3ccccc13,"InChI=1/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)",C13H9NO,,,,,,RZFVLEJOHSLEFR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.551,213-805-9,1016-05-3,"Dibenzothiophene 5,5-dioxide","dibenzo[b,d]thiophene 5,5-dioxide",O=S1(=O)c2ccccc2c3ccccc13,O=S1(=O)c2ccccc2c3ccccc13,InChI=1/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,C12H8O2S,,,,,,IKJFYINYNJYDTA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.554,213-809-0,1016-78-0,3-chlorobenzophenone,(3-chlorophenyl)(phenyl)methanone,Clc1cccc(c1)C(=O)c2ccccc2,Clc1cccc(c1)C(=O)c2ccccc2,InChI=1/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,C13H9ClO,,,,,,CPLWKNRPZVNELG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.557,213-812-7,1018-71-9,Pyrrolnitrin,3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole,[O-][N+](=O)c1c(Cl)cccc1c2c[nH]cc2Cl,[O-][N+](=O)c1c(Cl)cccc1c2c[nH]cc2Cl,"InChI=1/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H",C10H6Cl2N2O2,,,,,,QJBZDBLBQWFTPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.355,211-389-3,642-73-9,"Bis(3,4,5-trimethoxyphenethylammonium) sulphate","bis[2-(3,4,5-trimethoxyphenyl)ethanaminium] sulfate",COc1cc(CC[NH3+])cc(OC)c1OC.COc2cc(CC[NH3+])cc(OC)c2OC.[O-]S(=O)(=O)[O-],COc1cc(CC[NH3+])cc(OC)c1OC.COc2cc(CC[NH3+])cc(OC)c2OC.[O-]S(=O)(=O)[O-],"InChI=1/2C11H17NO3.H2O4S/c2*1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3;1-5(2,3)4/h2*6-7H,4-5,12H2,1-3H3;(H2,1,2,3,4)",C11H17NO3.1/2H2O4S,,,,,,FXAXLGPRODRRHB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.359,211-394-0,643-12-9,1D-chiro-inositol,"cyclohexane-1,2,3,4,5,6-hexol",O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,C6H12O6,,,,,,CDAISMWEOUEBRE-LKPKBOIGSA-N,,,,,,,,,,,
100.010.362,211-397-7,643-28-7,2-isopropylaniline,2-isopropylaniline,CC(C)c1ccccc1N,CC(C)c1ccccc1N,"InChI=1/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3",C9H13N,,,,,,YKOLZVXSPGIIBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.372,211-408-5,644-06-4,"6,7-dimethoxy-2,2-dimethyl2H-1-benzopyran","6,7-dimethoxy-2,2-dimethyl-2H-chromene",COc1cc2OC(C)(C)C=Cc2cc1OC,COc1cc2OC(C)(C)C=Cc2cc1OC,"InChI=1/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3",C13H16O3,,,,,,PTIDGSWTMLSGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.373,211-409-0,644-08-6,4-phenyltoluene,4-methylbiphenyl,Cc1ccc(cc1)c2ccccc2,Cc1ccc(cc1)c2ccccc2,"InChI=1/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3",C13H12,,,,,,ZZLCFHIKESPLTH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.381,211-417-4,644-49-5,Propyl isobutyrate,propyl 2-methylpropanoate,CCCOC(=O)C(C)C,CCCOC(=O)C(C)C,"InChI=1/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3",C7H14O2,,,,,,AZFUASHXSOTBNU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.118,212-230-0,771-29-9,"1,2,3,4-tetrahydro-1-naphthyl hydroperoxide","1,2,3,4-tetrahydronaphthalen-1-yl hydroperoxide",OOC1CCCc2ccccc12,OOC1CCCc2ccccc12,"InChI=1/C10H12O2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2",C10H12O2,,,,,,YWBMNCRJFZGXJY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.123,212-235-8,771-61-9,Pentafluorophenol,pentafluorophenol,Oc1c(F)c(F)c(F)c(F)c1F,Oc1c(F)c(F)c(F)c(F)c1F,InChI=1/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,C6HF5O,,,,,,XBNGYFFABRKICK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.126,212-238-4,771-69-7,"1,2,3-trifluoro-4-nitrobenzene","1,2,3-trifluoro-4-nitrobenzene",[O-][N+](=O)c1ccc(F)c(F)c1F,[O-][N+](=O)c1ccc(F)c(F)c1F,InChI=1/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,C6H2F3NO2,,,,,,ARCACZWMYGILNI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.127,212-240-5,771-90-4,Methyl phenylglycolate,methyl hydroxy(phenyl)acetate,COC(=O)C(O)c1ccccc1,COC(=O)C(O)c1ccccc1,"InChI=1/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3",C9H10O3,,,,,,ITATYELQCJRCCK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.128,212-241-0,771-97-1,"2,3-naphthylenediamine","naphthalene-2,3-diamine",Nc1cc2ccccc2cc1N,Nc1cc2ccccc2cc1N,"InChI=1/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H2",C10H10N2,,,,,,XTBLDMQMUSHDEN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.138,212-252-0,772-60-1,Cyclooctyl acetate,cyclooctyl acetate,CC(=O)OC1CCCCCCC1,CC(=O)OC1CCCCCCC1,"InChI=1/C10H18O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h10H,2-8H2,1H3",C10H18O2,,,,,,VBSHAXJPLHCYTH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.143,212-257-8,773-64-8,Mesitylene-2-sulphonyl chloride,"2,4,6-trimethylbenzenesulfonyl chloride",Cc1cc(C)c(c(C)c1)S(=O)(=O)Cl,Cc1cc(C)c(c(C)c1)S(=O)(=O)Cl,"InChI=1/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3",C9H11ClO2S,,,,,,PVJZBZSCGJAWNG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.146,212-260-4,773-99-9,Naphthalen-1-ethanol,2-(1-naphthyl)ethanol,OCCc1cccc2ccccc12,OCCc1cccc2ccccc12,"InChI=1/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2",C12H12O,,,,,,RXWNCMHRJCOWDK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.152,212-267-2,774-65-2,"1,1-dimethylethyl benzoate",tert-butyl benzoate,CC(C)(C)OC(=O)c1ccccc1,CC(C)(C)OC(=O)c1ccccc1,"InChI=1/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3",C11H14O2,,,,,,LYDRKKWPKKEMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.154,212-269-3,775-01-9,"3,4-dihydroxymandelic acid","(3,4-dihydroxyphenyl)(hydroxy)acetic acid",OC(C(=O)O)c1ccc(O)c(O)c1,OC(C(=O)O)c1ccc(O)c(O)c1,"InChI=1/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)",C8H8O5,,,,,,RGHMISIYKIHAJW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.158,212-274-0,775-16-6,1-(benzyl)pyrrolidin-3-one,1-benzylpyrrolidin-3-one,O=C1CCN(Cc2ccccc2)C1,O=C1CCN(Cc2ccccc2)C1,"InChI=1/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2",C11H13NO,,,,,,DHGMDHQNUNRMIN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.159,212-275-6,775-56-4,Diethoxymethylphenylsilane,(diethoxymethyl)(phenyl)silane,CCOC(OCC)[SiH2]c1ccccc1,CCOC(OCC)[SiH2]c1ccccc1,"InChI=1/C11H18O2Si/c1-3-12-11(13-4-2)14-10-8-6-5-7-9-10/h5-9,11H,3-4,14H2,1-2H3",C11H18O2Si,,,,,,MJQRNYJJBOGNSW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.948,213-142-5,926-65-8,2-(vinyloxy)propane,2-(vinyloxy)propane,CC(C)OC=C,CC(C)OC=C,"InChI=1/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3",C5H10O,,,,,,GNUGVECARVKIPH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.950,213-144-6,926-77-2,N-glycyl-DL-alanine,glycyl-L-alanine,C[C@H](NC(=O)CN)C(=O)O,C[C@H](NC(=O)CN)C(=O)O,"InChI=1/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)",C5H10N2O3,,,,,,VPZXBVLAVMBEQI-VKHMYHEASA-N,,,,,,,,,,,
100.004.787,205-265-8,136-85-6,6-methylbenzotriazole,5-methyl-1H-benzotriazole,Cc1ccc2[nH]nnc2c1,Cc1ccc2[nH]nnc2c1,"InChI=1/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",C7H7N3,,,,,,LRUDIIUSNGCQKF-UHFFFAOYSA-N,Positive/Negative,AU405206;EQ279101|EQ279102|EQ279103|EQ279104|EQ279105|EQ279106|EQ279107|EQ279108|EQ279109;ETS00118;TUE00041|TUE00042|TUE00043,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CIDRAMP 15.6-23.4;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCDscaled 80 (m/z=200) to 110 (m/z=120);NA10.0V|NA20.0V|NA40.0V,134.0705:79.0534:95.0488;134.0712:79.0542:106.0651|134.0712:79.0542:106.0651|134.0712:79.0542:106.0651|134.0712:79.0542:106.0651|134.0712:79.0542:95.0491|79.0542:95.0491:134.0713|95.0492:77.0385:105.0448|95.0492:77.0385:51.023|51.023:95.0492:77.0386;134.0706:79.0534:53.0377;134.0713:79.0543:77.0386|77.0387:134.0713:79.0544|77.0387:51.0228:53.0385,Athens_Univ;Eawag;Eawag_Additional_Specs2;Env_Anal_Chem_U_Tuebingen,EQ279151|EQ279152|EQ279153|EQ279154|EQ279155|EQ279156|EQ279157|EQ279158|EQ279159;TUE00045|TUE00046|TUE00047,[M-H]-;[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;NA10.0V|NA20.0V|NA40.0V,132.0568:103.0428:104.0506|132.0568:103.0428:104.0506|132.0568:103.0428:104.0506|132.0568:103.0428:104.0506|132.0568:103.0428:104.0506|132.0568:103.0428:104.0507|103.0428:50.0036:132.0568|50.0036:88.0193:63.0115|50.0036:88.0193:63.0115;132.0568:103.0427:104.0503|132.0565:103.0426:104.0504|50.0033:88.0192:63.0113,Eawag;Env_Anal_Chem_U_Tuebingen
100.004.788,205-266-3,136-91-4,Calcium bis(2-ethylbutyrate),calcium bis(2-ethylbutanoate),[Ca+2].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-],[Ca+2].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-],"InChI=1/2C6H12O2.Ca/c2*1-3-5(4-2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);/q;;+2/p-2",C6H12O2.1/2Ca,,,,,,SXDNHUFAYSNOHZ-UHFFFAOYSA-L,,,,,,,,,,,
100.005.483,206-030-2,291-64-5,Cycloheptane,cycloheptane,C1CCCCCC1,C1CCCCCC1,InChI=1/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,C7H14,,,,,,DMEGYFMYUHOHGS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.484,206-031-8,292-64-8,Cyclooctane,cyclooctane,C1CCCCCCC1,C1CCCCCCC1,InChI=1/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2,C8H16,,,,,,WJTCGQSWYFHTAC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.490,206-038-6,295-17-0,Cyclotetradecane,cyclotetradecane,C1CCCCCCCCCCCCC1,C1CCCCCCCCCCCCC1,InChI=1/C14H28/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H2,C14H28,,,,,,KATXJJSCAPBIOB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.494,206-042-8,296-35-5,"1,4,7,10,13,16-hexaazacyclooctadecane","1,4,7,10,13,16-hexaazacyclooctadecane",C1CNCCNCCNCCNCCNCCN1,C1CNCCNCCNCCNCCNCCN1,"InChI=1/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2",C12H30N6,,,,,,RVJABZUDCPZPPM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.496,206-044-9,297-76-7,Etynodiol di(acetate),"17-ethynylestr-4-ene-3,17-diyl diacetate",CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(=O)C)C#C)[C@@H]3CCC2=C1,CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(=O)C)C#C)[C@@H]3CCC2=C1,"InChI=1/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3",C24H32O4,,,,,,ONKUMRGIYFNPJW-KIEAKMPYSA-N,,,,,,,,,,,
100.005.504,206-053-8,298-03-3,Demeton-O,"O,O-diethyl O-[2-(ethylsulfanyl)ethyl] thiophosphate",CCOP(=S)(OCC)OCCSCC,CCOP(=S)(OCC)OCCSCC,"InChI=1/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3",C8H19O3PS2,,,,,,DGLIBALSRMUQDD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.505,206-054-3,298-04-4,Disulfoton,"O,O-diethyl S-[2-(ethylsulfanyl)ethyl] dithiophosphate",CCOP(=S)(OCC)SCCSCC,CCOP(=S)(OCC)SCCSCC,"InChI=1/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3",C8H19O2PS3,,,,,,DOFZAZXDOSGAJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.510,206-060-6,298-18-0,"1,2,3,4-diepoxybutane","2,2'-bioxirane",C1OC1C2CO2,C1OC1C2CO2,"InChI=1/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2",C4H6O2,,,,,,ZFIVKAOQEXOYFY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.511,206-061-1,298-45-3,Bulbocapnine,"11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol",COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)c2c1O,COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)c2c1O,"InChI=1/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",C19H19NO4,,,,,,LODGIKWNLDQZBM-LBPRGKRZSA-N,,,,,,,,,,,
100.005.514,206-064-8,298-57-7,Cinnarizine,1-(diphenylmethyl)-4-(3-phenylprop-2-en-1-yl)piperazine,c1ccccc1C(c2ccccc2)N3CCN(CC3)CC=Cc4ccccc4,c1ccccc1C(c2ccccc2)N3CCN(CC3)CC=Cc4ccccc4,"InChI=1/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2",C26H28N2,,,,,,DERZBLKQOCDDDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.515,206-065-3,298-59-9,Methylphenidate hydrochloride,methyl phenyl(piperidin-2-yl)acetate hydrochloride,Cl.COC(=O)C(C1CCCCN1)c2ccccc2,Cl.COC(=O)C(C1CCCCN1)c2ccccc2,"InChI=1/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H",C14H19NO2.ClH,,,,,,JUMYIBMBTDDLNG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.533,206-085-2,299-95-6,Isoprenaline sulphate,"4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol sulfate (salt)",CC(C)NCC(O)c1ccc(O)c(O)c1.OS(=O)(=O)O,CC(C)NCC(O)c1ccc(O)c(O)c1.OS(=O)(=O)O,"InChI=1/C11H17NO3.H2O4S/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)",C11H17NO3.1/2H2O4S,,,,,,YTOSPBSEWLATJU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.036,206-638-8,360-68-9,5-ß-cholestan-3-ß-ol,cholestan-3-ol,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3",C27H48O,,,,,,QYIXCDOBOSTCEI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.037,206-639-3,360-70-3,17ß-hydroxyestr-4-en-3-one 17-decanoate,3-oxoestr-4-en-17-yl decanoate,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3",C28H44O3,,,,,,JKWKMORAXJQQSR-MOPIKTETSA-N,,,,,,,,,,,
100.006.039,206-641-4,360-97-4,4-aminoimidazole-5-carboxamide,4-amino-1H-imidazole-5-carboxamide,NC(=O)c1[nH]cnc1N,NC(=O)c1[nH]cnc1N,"InChI=1/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)",C4H6N4O,,,,,,DVNYTAVYBRSTGK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.908,213-098-7,923-69-3,"8,8-dimethoxy-2,6-dimethyloct-2-ene","8,8-dimethoxy-2,6-dimethyloct-2-ene",COC(CC(C)CCC=C(C)C)OC,COC(CC(C)CCC=C(C)C)OC,"InChI=1/C12H24O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,11-12H,6,8-9H2,1-5H3",C12H24O2,,,,,,SEXUFKWNUNQRSS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.910,213-100-6,923-99-9,Tripropyl phosphite,tripropyl phosphite,CCCOP(OCCC)OCCC,CCCOP(OCCC)OCCC,"InChI=1/C9H21O3P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-9H2,1-3H3",C9H21O3P,,,,,,QOPBTFMUVTXWFF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.912,213-102-7,924-41-4,"Hexa-1,5-dien-3-ol","hexa-1,5-dien-3-ol",OC(CC=C)C=C,OC(CC=C)C=C,"InChI=1/C6H10O/c1-3-5-6(7)4-2/h3-4,6-7H,1-2,5H2",C6H10O,,,,,,SZYLTIUVWARXOO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.919,213-110-0,924-88-9,Diisopropyl succinate,diisopropyl succinate,CC(C)OC(=O)CCC(=O)OC(C)C,CC(C)OC(=O)CCC(=O)OC(C)C,"InChI=1/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3",C10H18O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13751,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.919,YPLYFEUBZLLLIY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.928,213-120-5,925-60-0,Propyl acrylate,propyl acrylate,CCCOC(=O)C=C,CCCOC(=O)C=C,"InChI=1/C6H10O2/c1-3-5-8-6(7)4-2/h4H,2-3,5H2,1H3",C6H10O2,,,,,,PNXMTCDJUBJHQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.939,213-132-0,926-06-7,Isopropyl methanesulphonate,isopropyl methanesulfonate,CC(C)OS(=O)(=O)C,CC(C)OS(=O)(=O)C,"InChI=1/C4H10O3S/c1-4(2)7-8(3,5)6/h4H,1-3H3",C4H10O3S,,,,,,SWWHCQCMVCPLEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.466,210-411-9,615-15-6,2-methylbenzimidazole,2-methyl-1H-benzimidazole,Cc1nc2ccccc2[nH]1,Cc1nc2ccccc2[nH]1,"InChI=1/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)",C8H8N2,,,,,,LDZYRENCLPUXAX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.471,210-417-1,615-22-5,2-(methylthio)benzothiazole,"2-(methylsulfanyl)-1,3-benzothiazole",CSc1nc2ccccc2s1,CSc1nc2ccccc2s1,"InChI=1/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3",C8H7NS2,,,,,,UTBVIMLZIRIFFR-UHFFFAOYSA-N,Positive,AU405806;SM881701;EQ364601|EQ364602|EQ364603|EQ364604|EQ364605|EQ364606|EQ364607|EQ364608|EQ364609;UF419801|UF419802|UF419803|UF419804,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CIDRAMP 17.4-26.0;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD55|HCD80|CID35|CID55,182.0087:166.9846:183.0109;182.0092:166.9858:135.0137;182.0089:166.9854|182.0089:166.9854:135.0132|182.0089:166.9856:135.0135|166.9855:182.009:135.0135|166.9855:182.009:135.0135|166.9855:123.0135:109.0105|166.9856:109.0105:123.0135|65.0385:109.0105:96.0027|65.0385:68.9792:96.0027;182.0099:166.9865:135.0143|166.9864:182.0098:135.0142|166.9863:182.0099:136.022|166.9863:136.022:135.014,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.009.472,210-418-7,615-28-1,o-phenylenediamine dihydrochloride,"benzene-1,2-diamine dihydrochloride",Cl.Cl.Nc1ccccc1N,Cl.Cl.Nc1ccccc1N,"InChI=1/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H",C6H8N2.2ClH,,,,,,RIIWUGSYXOBDMC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.474,210-420-8,615-35-0,"N,N'-dimethyloxamide","N,N'-dimethylethanediamide",CNC(=O)C(=O)NC,CNC(=O)C(=O)NC,"InChI=1/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)",C4H8N2O2,,,,,,IPZCJUOJSODZNK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.486,210-433-9,615-54-3,"1,2,4-tribromobenzene","1,2,4-tribromobenzene",Brc1ccc(Br)c(Br)c1,Brc1ccc(Br)c(Br)c1,InChI=1/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H,C6H3Br3,,,,,,FWAJPSIPOULHHH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.490,210-438-6,615-60-1,4-chloro-o-xylene,"4-chloro-1,2-dimethylbenzene",Cc1ccc(Cl)cc1C,Cc1ccc(Cl)cc1C,"InChI=1/C8H9Cl/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3",C8H9Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5679,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.490,HNQLMBJUMVLFCF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.498,210-447-5,615-79-2,"Ethyl 2,4-dioxovalerate","ethyl 2,4-dioxopentanoate",CCOC(=O)C(=O)CC(=O)C,CCOC(=O)C(=O)CC(=O)C,"InChI=1/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3",C7H10O4,,,,,,OYQVQWIASIXXRT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.499,210-448-0,615-81-6,Diisopropyl oxalate,diisopropyl oxalate,CC(C)OC(=O)C(=O)OC(C)C,CC(C)OC(=O)C(=O)OC(C)C,"InChI=1/C8H14O4/c1-5(2)11-7(9)8(10)12-6(3)4/h5-6H,1-4H3",C8H14O4,,,,,,ITHNIFCFNUZYLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.501,210-450-1,615-83-8,Ethyl 2-bromovalerate,ethyl 2-bromopentanoate,CCCC(Br)C(=O)OCC,CCCC(Br)C(=O)OCC,"InChI=1/C7H13BrO2/c1-3-5-6(8)7(9)10-4-2/h6H,3-5H2,1-2H3",C7H13BrO2,,,,,,ORSIRXYHFPHWTN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.505,210-454-3,615-94-1,"2,5-dihydroxy-p-benzoquinone","2,5-dihydroxy-1,4-benzoquinone",OC1=CC(=O)C(=CC1=O)O,OC1=CC(=O)C(=CC1=O)O,"InChI=1/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H",C6H4O4,,,,,,QFSYADJLNBHAKO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.506,210-455-9,615-96-3,Ethyl 2-bromohexanoate,ethyl 2-bromohexanoate,CCCCC(Br)C(=O)OCC,CCCCC(Br)C(=O)OCC,"InChI=1/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3",C8H15BrO2,,,,,,KOUAQOCYMAENKN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.512,210-462-7,616-06-8,DL-norleucine,norleucine,CCCCC(N)C(=O)O,CCCCC(N)C(=O)O,"InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",C6H13NO2,,,,,,LRQKBLKVPFOOQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.514,210-464-8,616-09-1,Propyl lactate,propyl 2-hydroxypropanoate,CCCOC(=O)C(C)O,CCCOC(=O)C(C)O,"InChI=1/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,ILVGAIQLOCKNQA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.517,210-467-4,616-20-6,3-chloropentane,3-chloropentane,CCC(Cl)CC,CCC(Cl)CC,"InChI=1/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H3",C5H11Cl,,,,,,CXQSCYIVCSCSES-UHFFFAOYSA-N,,,,,,,,,,,
100.010.331,211-363-1,640-19-7,2-fluoroacetamide,2-fluoroacetamide,NC(=O)CF,NC(=O)CF,"InChI=1/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)",C2H4FNO,,,,,,FVTWJXMFYOXOKK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.559,213-814-8,1019-52-9,"4-hydroxy-3,5-dinitrobenzoic acid","4-hydroxy-3,5-dinitrobenzoic acid",OC(=O)c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4N2O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)",C7H4N2O7,,,,,,GBSWIDSKAJFWMF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.561,213-816-9,1020-31-1,"3,5-di-tert-butylpyrocatechol","3,5-di-tert-butylbenzene-1,2-diol",CC(C)(C)c1cc(O)c(O)c(c1)C(C)(C)C,CC(C)(C)c1cc(O)c(O)c(c1)C(C)(C)C,"InChI=1/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3",C14H22O2,,,,,,PJZLSMMERMMQBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.577,213-834-7,1025-15-6,"1,3,5-triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-triallyl-1,3,5-triazinane-2,4,6-trione",C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,"InChI=1/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2",C12H15N3O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13401,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.577,KOMNUTZXSVSERR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.363,213-599-0,992-98-3,Thallium formate,thallium(1+) formate,[Tl+].[O-]C=O,[Tl+].[O-]C=O,"InChI=1/CH2O2.Tl/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",CH2O2.Tl,,,,,,UESISTHQAYQMRA-UHFFFAOYSA-M,,,,,,,,,,,
100.012.370,213-607-2,993-13-5,Methylphosphonic acid,methylphosphonic acid,CP(=O)(O)O,CP(=O)(O)O,"InChI=1/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)",CH5O3P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10587,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.370,YACKEPLHDIMKIO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.372,213-609-3,993-43-1,Ethylphosphonothioic dichloride,ethylphosphonothioic dichloride,CCP(=S)(Cl)Cl,CCP(=S)(Cl)Cl,"InChI=1/C2H5Cl2PS/c1-2-5(3,4)6/h2H2,1H3",C2H5Cl2PS,,,,,,FRNHPBDNOSCJNW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.377,213-615-6,994-30-9,Chlorotriethylsilane,chloro(triethyl)silane,CC[Si](Cl)(CC)CC,CC[Si](Cl)(CC)CC,"InChI=1/C6H15ClSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3",C6H15ClSi,,,,,,DCFKHNIGBAHNSS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.378,213-616-1,994-31-0,Triethyltin chloride,triethylstannanylium chloride,[Cl-].CC[Sn+](CC)CC,[Cl-].CC[Sn+](CC)CC,"InChI=1/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1/rC6H15Sn.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1",C6H15ClSn,,,,,,PIMYDFDXAUVLON-UHFFFAOYSA-M,,,,,,,,,,,
100.012.380,213-618-2,994-36-5,"Citric acid, sodium salt","sodium 3,4-dicarboxy-3-hydroxybutanoate",[Na+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O,[Na+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O,"InChI=1/C6H8O7.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1",C6H8O7.xNa,,,,,,HWPKGOGLCKPRLZ-UHFFFAOYSA-M,,,,,,,,,,,
100.012.382,213-620-3,994-65-0,Tetrapropylgermanium,tetrapropylgermane,CCC[Ge+](CCC)(CCC)CCC,CCC[Ge+](CCC)(CCC)CCC,"InChI=1/C12H28Ge/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3",C12H28Ge,,,,,,KRRRCRKVOHKRIL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.383,213-621-9,994-79-6,Tetrabutylsilane,tetrabutylsilane,CCCC[Si](CCCC)(CCCC)CCCC,CCCC[Si](CCCC)(CCCC)CCCC,"InChI=1/C16H36Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C16H36Si,,,,,,REWDXIKKFOQRID-UHFFFAOYSA-N,,,,,,,,,,,
100.012.385,213-624-5,995-25-5,Chlorotripropylsilane,chloro(tripropyl)silane,CCC[Si](Cl)(CCC)CCC,CCC[Si](Cl)(CCC)CCC,"InChI=1/C9H21ClSi/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3",C9H21ClSi,,,,,,ACTAPAGNZPZLEF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.393,213-632-9,996-33-8,Diterbium trioxalate,diterbium trioxalate,[Tb+3].[Tb+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Tb+3].[Tb+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Tb/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C6O12Tb2,,,,,,JZNKXIAEFQDQDF-UHFFFAOYSA-H,,,,,,,,,,,
100.010.950,212-045-5,754-34-7,Heptafluoro-1-iodopropane,"1,1,1,2,2,3,3-heptafluoro-3-iodopropane",FC(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C3F7I/c4-1(5,2(6,7)8)3(9,10)11",C3F7I,,,,,,XTGYEAXBNRVNQU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.951,212-046-0,754-91-6,Heptadecafluorooctanesulphonamide,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)",C8H2F17NO2S,,,,,,RRRXPPIDPYTNJG-UHFFFAOYSA-N,Negative,,,,,,SM883551,[M-H]-,HCD35,497.9466:168.9892:118.992,CASMI_2016
100.010.953,212-048-1,755-73-7,"Methyl 2,2,3,3-tetrafluoro-3-methoxypropionate","methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate",COC(=O)C(F)(F)C(F)(F)OC,COC(=O)C(F)(F)C(F)(F)OC,"InChI=1/C5H6F4O3/c1-11-3(10)4(6,7)5(8,9)12-2/h1-2H3",C5H6F4O3,,,,,,NDNOUXQCMAHOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.955,212-050-2,756-48-9,"1-methyl-2,2,3,3-tetrafluoropropyl carbamate","2,2,3,3-tetrafluoro-1-methylpropyl carbamate",CC(OC(=O)N)C(F)(F)C(F)F,CC(OC(=O)N)C(F)(F)C(F)F,"InChI=1/C5H7F4NO2/c1-2(12-4(10)11)5(8,9)3(6)7/h2-3H,1H3,(H2,10,11)",C5H7F4NO2,,,,,,XUIBKESPXOBFGS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.961,212-057-0,757-58-4,Hexaethyl tetraphosphate,"4,5,7,8-tetraethoxy-3,6,9-trioxa-4,5,7,8-tetraphosphaundecane 4,5,7,8-tetraoxide",CCOP(=O)(OCC)P(=O)(OCC)OP(=O)(OCC)P(=O)(OCC)OCC,CCOP(=O)(OCC)P(=O)(OCC)OP(=O)(OCC)P(=O)(OCC)OCC,"InChI=1/C12H30O11P4/c1-7-17-24(13,18-8-2)26(15,21-11-5)23-27(16,22-12-6)25(14,19-9-3)20-10-4/h7-12H2,1-6H3",C12H30O13P4,,,,,,VOUXIKYKDQCCLL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.952,213-146-7,926-93-2,Metallibure,"N-methyl-N'-(1-methylprop-2-en-1-yl)hydrazine-1,2-dicarbothioamide",CNC(=S)NNC(=S)NC(C)C=C,CNC(=S)NNC(=S)NC(C)C=C,"InChI=1/C7H14N4S2/c1-4-5(2)9-7(13)11-10-6(12)8-3/h4-5H,1H2,2-3H3,(H2,8,10,12)(H2,9,11,13)",C7H14N4S2,,,,,,CGFFKDRVHZIQHL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.959,213-154-0,927-58-2,4-bromobutyryl chloride,4-bromobutanoyl chloride,ClC(=O)CCCBr,ClC(=O)CCCBr,InChI=1/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2,C4H6BrClO,,,,,,LRTRXDSAJLSRTG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.961,213-156-1,927-62-8,"N,N-dimethylbutylamine","N,N-dimethylbutan-1-amine",CCCCN(C)C,CCCCN(C)C,"InChI=1/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3",C6H15N,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7914,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.961,DJEQZVQFEPKLOY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.967,213-162-4,927-77-5,Bromopropylmagnesium,bromo(propyl)magnesium,CCC[Mg]Br,CCC[Mg]Br,"InChI=1/C3H7.BrH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q;;+1/p-1/rC3H7BrMg/c1-2-3-5-4/h2-3H2,1H3",C3H7BrMg,,,,,,YQMARKZVVTYGOK-UHFFFAOYSA-M,,,,,,,,,,,
100.011.976,213-172-9,928-45-0,Butyl nitrate,butyl nitrate,CCCCO[N+](=O)[O-],CCCCO[N+](=O)[O-],"InChI=1/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3",C4H9NO3,,,,,,QQHZPQUHCAKSOL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.979,213-176-0,928-55-2,1-ethoxypropene,1-ethoxyprop-1-ene,CCOC=CC,CCOC=CC,"InChI=1/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3",C5H10O,,,,,,XDHOEHJVXXTEDV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.983,213-180-2,928-70-1,Potassium isopentyl dithiocarbonate,potassium S-(3-methylbutyl) dithiocarbonate,[K+].CC(C)CCSC(=O)[S-],[K+].CC(C)CCSC(=O)[S-],"InChI=1/C6H12OS2.K/c1-5(2)3-4-9-6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1",C6H12OS2.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5726,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.983,BBODNGQNPXLDEO-UHFFFAOYSA-M,,,,,,,,,,,
100.011.984,213-181-8,928-72-3,Disodium iminodi(acetate),"disodium 2,2'-iminodiacetate",[Na+].[Na+].[O-]C(=O)CNCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CNCC(=O)[O-],"InChI=1/C4H7NO4.2Na/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C4H7NO4.2Na,,,,,,HAXVIVNBOQIMTE-UHFFFAOYSA-L,,,,,,,,,,,
100.011.986,213-183-9,928-80-3,Decan-3-one,decan-3-one,CCCCCCCC(=O)CC,CCCCCCCC(=O)CC,"InChI=1/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3",C10H20O,,,,,,XJLDYKIEURAVBW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.991,213-189-1,928-93-8,Hex-4-yn-1-ol,hex-4-yn-1-ol,CC#CCCCO,CC#CCCCO,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h7H,4-6H2,1H3",C6H10O,,,,,,VNUUMNNQQSAYCU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.992,213-190-7,928-94-9,cis-hex-2-en-1-ol,hex-2-en-1-ol,CCC\\C=C/CO,CCC\C=C/CO,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3",C6H12O,,,,,,ZCHHRLHTBGRGOT-PLNGDYQASA-N,,,,,,,,,,,
100.011.996,213-194-9,928-98-3,"Pentane-1,5-dithiol","pentane-1,5-dithiol",SCCCCCS,SCCCCCS,"InChI=1/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2",C5H12S2,,,,,,KMTUBAIXCBHPIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.997,213-195-4,929-06-6,2-(2-aminoethoxy)ethanol,2-(2-aminoethoxy)ethanol,NCCOCCO,NCCOCCO,"InChI=1/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2",C4H11NO2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13361,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.997,GIAFURWZWWWBQT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.521,210-472-1,616-25-1,Pent-1-en-3-ol,pent-1-en-3-ol,CCC(O)C=C,CCC(O)C=C,"InChI=1/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3",C5H10O,,,,,,VHVMXWZXFBOANQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.523,210-474-2,616-29-5,"1,3-diaminopropan-2-ol","1,3-diaminopropan-2-ol",NCC(O)CN,NCC(O)CN,"InChI=1/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2",C3H10N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7476,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.523,UYBWIEGTWASWSR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.524,210-475-8,616-30-8,"3-aminopropane-1,2-diol","3-aminopropane-1,2-diol",NCC(O)CO,NCC(O)CO,"InChI=1/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2",C3H9NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5186,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.524,KQIGMPWTAHJUMN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.525,210-476-3,616-31-9,Pentane-3-thiol,pentane-3-thiol,CCC(S)CC,CCC(S)CC,"InChI=1/C5H12S/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",C5H12S,,,,,,WICKAMSPKJXSGN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.530,210-482-6,616-44-4,3-methylthiophene,3-methylthiophene,Cc1ccsc1,Cc1ccsc1,"InChI=1/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3",C5H6S,,,,,,QENGPZGAWFQWCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.531,210-483-1,616-45-5,2-pyrrolidone,pyrrolidin-2-one,O=C1CCCN1,O=C1CCCN1,"InChI=1/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",C4H7NO,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14900,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.531,HNJBEVLQSNELDL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.540,210-493-6,616-79-5,5-nitroanthranilic acid,2-amino-5-nitrobenzoic acid,Nc1ccc(cc1C(=O)O)[N+](=O)[O-],Nc1ccc(cc1C(=O)O)[N+](=O)[O-],"InChI=1/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)",C7H6N2O4,,,,,,RUCHWTKMOWXHLU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.042,206-645-6,362-08-3,"3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one","3-hydroxy-2-methoxyestra-1(10),2,4-trien-17-one",COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1O,COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1O,"InChI=1/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3",C19H24O3,,,,,,WHEUWNKSCXYKBU-QPWUGHHJSA-N,,,,,,,,,,,
100.006.043,206-646-1,362-29-8,Propiomazine,1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one,CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1,CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1,"InChI=1/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3",C20H24N2OS,,,,,,UVOIBTBFPOZKGP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.048,206-651-9,362-76-5,"2',3'-isopropylideneguanosine","2-amino-9-[1,5-dihydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hex-2-yl]-1,9-dihydro-6H-purin-6-one",CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](n3cnc4C(=O)NC(=Nc34)N)[C@@]12O,CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](n3cnc4C(=O)NC(=Nc34)N)[C@@]12O,"InChI=1/C13H17N5O5/c1-11(2)12(21)5(3-19)23-9(13(11,12)22)18-4-15-6-7(18)16-10(14)17-8(6)20/h4-5,9,19,21-22H,3H2,1-2H3,(H3,14,16,17,20)",C13H17N5O5,,,,,,VABFJACOLLDIOS-AMHAGXNJSA-N,,,,,,,,,,,
100.006.051,206-655-0,363-11-1,Harmaline hydrochloride,"7-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline hydrochloride",Cl.COc1ccc2c3CCN=C(C)c3[nH]c2c1,Cl.COc1ccc2c3CCN=C(C)c3[nH]c2c1,"InChI=1/C13H14N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-4,7,15H,5-6H2,1-2H3;1H",C13H14N2O.ClH,,,,,,PULNGKOFHCQQQA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.052,206-656-6,363-24-6,Dinoprostone,"11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid",O[C@@H]1CC(=O)[C@H](CC=CCCCC(O)=O)[C@H]1C=C[C@@H](O)CCCCC,O[C@@H]1CC(=O)[C@H](CC=CCCCC(O)=O)[C@H]1C=C[C@@H](O)CCCCC,"InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)",C20H32O5,,,,,,XEYBRNLFEZDVAW-DODZYUBVSA-N,,,,,,,,,,,
100.006.055,206-659-2,363-73-5,"2,3,4,6-tetrafluoroaniline","2,3,4,6-tetrafluoroaniline",Nc1c(F)cc(F)c(F)c1F,Nc1c(F)cc(F)c(F)c1F,"InChI=1/C6H3F4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2",C6H3F4N,,,,,,SBYRHTZJKKWEMP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.058,206-662-9,364-62-5,Metoclopramide,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,"InChI=1/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",C14H22ClN3O2,,,,,,TTWJBBZEZQICBI-UHFFFAOYSA-N,Positive,EA278101|EA278102|EA278103|EA278104|EA278105|EA278106|EA278107|EA278108|EA278109|EA278110|EA278111|EA278112|EA278113|EA278114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,227.0584:184.016:212.0337|300.1479:227.0584:184.0155|227.0582:300.1474:184.0159|227.0583:184.016:183.032|184.016:227.0581:212.0346|184.016:212.0346:183.032|184.016:140.9976:168.0085|300.1474:227.0579:184.0154|227.0583:300.1477:184.0159|227.0583:184.016:183.0318|184.0161:227.0582:183.032|184.016:212.0347:183.032|184.016:140.9976:168.0085|227.0582:184.016:212.0342,Eawag,,,,,
100.006.065,206-670-2,365-21-9,1-(chlorophenylmethyl)-4-fluorobenzene,1-[chloro(phenyl)methyl]-4-fluorobenzene,Fc1ccc(cc1)C(Cl)c2ccccc2,Fc1ccc(cc1)C(Cl)c2ccccc2,"InChI=1/C13H10ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13H",C13H10ClF,,,,,,GNFODANOHXAUPE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.066,206-671-8,365-24-2,"4,4'-difluorobenzhydryl alcohol",bis(4-fluorophenyl)methanol,OC(c1ccc(F)cc1)c2ccc(F)cc2,OC(c1ccc(F)cc1)c2ccc(F)cc2,"InChI=1/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H",C13H10F2O,,,,,,WCTZPQWLFWZYJE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.088,206-695-9,367-47-5,Glyceraldehyde,"2,3-dihydroxypropanal",OCC(O)C=O,OCC(O)C=O,"InChI=1/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2",C3H6O3,,,,,,MNQZXJOMYWMBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.090,206-698-5,367-57-7,"1,1,1-trifluoropentane-2,4-dione","1,1,1-trifluoropentane-2,4-dione",CC(=O)CC(=O)C(F)(F)F,CC(=O)CC(=O)C(F)(F)F,"InChI=1/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3",C5H5F3O2,,,,,,SHXHPUAKLCCLDV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.091,206-699-0,367-64-6,Butyl trifluoroacetate,butyl trifluoroacetate,CCCCOC(=O)C(F)(F)F,CCCCOC(=O)C(F)(F)F,"InChI=1/C6H9F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3",C6H9F3O2,,,,,,CLDYDTBRUJPBGU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.104,206-714-0,368-88-7,4-fluorobenzenesulphonic acid,4-fluorobenzenesulfonic acid,OS(=O)(=O)c1ccc(F)cc1,OS(=O)(=O)c1ccc(F)cc1,"InChI=1/C6H5FO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)",C6H5FO3S,,,,,,WVSYONICNIDYBE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.105,206-715-6,368-94-5,4-(trifluoromethyl)benzoyl fluoride,4-(trifluoromethyl)benzoyl fluoride,FC(=O)c1ccc(cc1)C(F)(F)F,FC(=O)c1ccc(cc1)C(F)(F)F,"InChI=1/C8H4F4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H",C8H4F4O,,,,,,RULVRLLGHXQORW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.107,206-717-7,369-33-5,"1-(3,4-difluorophenyl)ethan-1-one","1-(3,4-difluorophenyl)ethanone",CC(=O)c1ccc(F)c(F)c1,CC(=O)c1ccc(F)c(F)c1,"InChI=1/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3",C8H6F2O,,,,,,VWJSSJFLXRMYNV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.116,206-727-1,370-47-8,1-nitro-3-[(trifluoromethyl)thio]benzene,1-nitro-3-[(trifluoromethyl)sulfanyl]benzene,[O-][N+](=O)c1cccc(SC(F)(F)F)c1,[O-][N+](=O)c1cccc(SC(F)(F)F)c1,"InChI=1/C7H4F3NO2S/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H",C7H4F3NO2S,,,,,,LCYLLPJRCOQTHG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.127,206-739-7,371-49-3,Butyl fluoroacetate,butyl fluoroacetate,CCCCOC(=O)CF,CCCCOC(=O)CF,"InChI=1/C6H11FO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3",C6H11FO2,,,,,,FZXXGBGMLALCIH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.333,211-365-2,640-59-5,"3,4-dichloro-N-(4-chlorophenyl)benzenesulphonamide","3,4-dichloro-N-(4-chlorophenyl)benzenesulfonamide",Clc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1,Clc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1,"InChI=1/C12H8Cl3NO2S/c13-8-1-3-9(4-2-8)16-19(17,18)10-5-6-11(14)12(15)7-10/h1-7,16H",C12H8Cl3NO2S,,,,,,WHONBYFXHJXDJB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.339,211-372-0,641-13-4,"Dibenzo[def,mno]chrysene-6,12-dione","naphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dione",O=C1c2ccc3cccc4C(=O)c5ccc6cccc1c6c5c2c34,O=C1c2ccc3cccc4C(=O)c5ccc6cccc1c6c5c2c34,InChI=1/C22H10O2/c23-21-13-5-1-3-11-7-9-16-19(17(11)13)20-15(21)10-8-12-4-2-6-14(18(12)20)22(16)24/h1-10H,C22H10O2,,,,,,PGEHNUUBUQTUJB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.341,211-374-1,641-74-7,"1,4:3,6-dianhydro-D-mannitol","1,4:3,6-dianhydro-D-mannitol",O[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12,O[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12,"InChI=1/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2",C6H10O4,,,,,,KLDXJTOLSGUMSJ-KVTDHHQDSA-N,,,,,,,,,,,
100.010.343,211-376-2,641-78-1,"3a,17-dihydroxy-5ß-pregnane-11,20-dione","3,17-dihydroxypregnane-11,20-dione",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3",C21H32O4,,,,,,AYEXSTRNLGYBSQ-YOBHSKELSA-N,,,,,,,,,,,
100.010.344,211-377-8,641-83-8,"17-methyl-5a-androstane-3ß,17ß-diol","17-methylandrostane-3,17-diol",C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3",C20H34O2,,,,,,QGKQXZFZOIQFBI-UYEYMFBJSA-N,,,,,,,,,,,
100.010.345,211-378-3,641-85-0,5a-pregnane,pregnane,CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C,CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3",C21H36,,,,,,JWMFYGXQPXQEEM-GCOKGBOCSA-N,,,,,,,,,,,
100.010.348,211-382-5,642-29-5,Benzoylnaphthalene,1-naphthyl(phenyl)methanone,O=C(c1ccccc1)c2cccc3ccccc23,O=C(c1ccccc1)c2cccc3ccccc23,InChI=1/C17H12O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,C17H12O,,,,,,CXAYOCVHDCXPAI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.352,211-386-7,642-65-9,N-acetyl-N-9H-fluoren-2-ylacetamide,N-acetyl-N-9H-fluoren-2-ylacetamide,CC(=O)N(C(=O)C)c1ccc2c(Cc3ccccc23)c1,CC(=O)N(C(=O)C)c1ccc2c(Cc3ccccc23)c1,"InChI=1/C17H15NO2/c1-11(19)18(12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3",C17H15NO2,,,,,,CUEUMJJOLJYAPL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.357,211-391-4,642-84-2,"3',4',5-trichlorosalicylanilide","5-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide",Oc1ccc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2,Oc1ccc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2,"InChI=1/C13H8Cl3NO2/c14-7-1-4-12(18)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6,18H,(H,17,19)",C13H8Cl3NO2,,,,,,RSJBLPJKXGNMFW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.366,211-401-7,643-65-2,3-methylbenzophenone,(3-methylphenyl)(phenyl)methanone,Cc1cccc(c1)C(=O)c2ccccc2,Cc1cccc(c1)C(=O)c2ccccc2,"InChI=1/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3",C14H12O,,,,,,URBLVRAVOIVZFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.379,211-415-3,644-35-9,2-propylphenol,2-propylphenol,CCCc1ccccc1O,CCCc1ccccc1O,"InChI=1/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3",C9H12O,,,,,,LCHYEKKJCUJAKN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.382,211-419-5,644-62-2,Meclofenamic acid,"2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid",Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,"InChI=1/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",C14H11Cl2NO2,,,,,,SBDNJUWAMKYJOX-UHFFFAOYSA-N,Positive/Negative,EQ369001|EQ369002|EQ369003|EQ369004|EQ369005|EQ369006|EQ369007|EQ369008|EQ369009,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,278.0133:243.0445:296.0239|278.0133:243.0445:242.0368|243.0445:278.0134:242.0368|243.0444:242.0367:278.0133|243.0446:242.0368:180.0808|180.0807:242.0368:208.0758|178.0651:179.0729:180.0807|178.0651:152.062:169.0648|150.0464:169.0648:152.062,Eawag,EQ369051|EQ369052|EQ369053|EQ369054|EQ369055|EQ369056|EQ369057,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120,294.0093:258.0326:214.0428|294.0095:258.0326:214.0429|214.043:250.0194:178.0662|214.043:178.0662:174.9721|178.0662:214.043:174.9723|178.0662:177.0582:173.9879|178.0656,Eawag
100.011.113,212-224-8,770-40-1,4-chloro-N-isopropylaniline,4-chloro-N-isopropylaniline,CC(C)Nc1ccc(Cl)cc1,CC(C)Nc1ccc(Cl)cc1,"InChI=1/C9H12ClN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3",C9H12ClN,,,,,,WQCJXUGBPQKJLI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.116,212-227-4,771-03-9,3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one,3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one,CC(=O)C1=C(O)C=C(C)OC1=O,CC(=O)C1=C(O)C=C(C)OC1=O,"InChI=1/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3",C8H8O4,,,,,,PKLPQOJFHFGVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.119,212-231-6,771-50-6,Indole-3-carboxylic acid,1H-indole-3-carboxylic acid,OC(=O)c1c[nH]c2ccccc12,OC(=O)c1c[nH]c2ccccc12,"InChI=1/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",C9H7NO2,,,,,,KMAKOBLIOCQGJP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.131,212-244-7,772-00-9,"4-phenyl-1,3-dioxane","4-phenyl-1,3-dioxane",C1CC(OCO1)c2ccccc2,C1CC(OCO1)c2ccccc2,"InChI=1/C10H12O2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10H,6-8H2",C10H12O2,,,,,,RCJRILMVFLGCJY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.132,212-245-2,772-01-0,"2-phenyl-1,3-dioxane","2-phenyl-1,3-dioxane",C1COC(OC1)c2ccccc2,C1COC(OC1)c2ccccc2,"InChI=1/C10H12O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2",C10H12O2,,,,,,LNEMDIUSUQPKIP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.133,212-246-8,772-03-2,2-vinylquinoline,2-vinylquinoline,C=Cc1ccc2ccccc2n1,C=Cc1ccc2ccccc2n1,"InChI=1/C11H9N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-8H,1H2",C11H9N,,,,,,XUGNJOCQALIQFG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.966,212-062-8,758-24-7,"1-bromo-1-chloro-2,2-difluoroethylene","1-bromo-1-chloro-2,2-difluoroethene",FC(=C(Cl)Br)F,FC(=C(Cl)Br)F,InChI=1/C2BrClF2/c3-1(4)2(5)6,C2BrClF2,,,,,,NBYWEYFBDHRDOS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.967,212-063-3,758-42-9,"1,1,1-trichloro-3,3,3-trifluoroacetone","1,1,1-trichloro-3,3,3-trifluoroacetone",FC(F)(F)C(=O)C(Cl)(Cl)Cl,FC(F)(F)C(=O)C(Cl)(Cl)Cl,"InChI=1/C3Cl3F3O/c4-2(5,6)1(10)3(7,8)9",C3Cl3F3O,,,,,,AVTAIKNWAIKGEV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.970,212-067-5,759-24-0,"Diethyl (1,1-dimethylethyl)malonate",diethyl tert-butylmalonate,CCOC(=O)C(C(=O)OCC)C(C)(C)C,CCOC(=O)C(C(=O)OCC)C(C)(C)C,"InChI=1/C11H20O4/c1-6-14-9(12)8(11(3,4)5)10(13)15-7-2/h8H,6-7H2,1-5H3",C11H20O4,,,,,,RJNICNBRGVKNSR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.973,212-070-1,759-54-6,Ethyl 2-cyano-3-methylhex-2-enoate,ethyl 2-cyano-3-methylhex-2-enoate,CCOC(=O)C(C#N)=C(C)CCC,CCOC(=O)C(C#N)=C(C)CCC,"InChI=1/C10H15NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h4-6H2,1-3H3",C10H15NO2,,,,,,WSQKZATUBMGUQX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.974,212-071-7,759-65-9,Diethyl 2-methyloxosuccinate,diethyl 2-methyl-3-oxosuccinate,CCOC(=O)C(C)C(=O)C(=O)OCC,CCOC(=O)C(C)C(=O)C(=O)OCC,"InChI=1/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3",C9H14O5,,,,,,OQOCQBJWOCRPQY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.979,212-076-4,760-20-3,3-methylpent-1-ene,3-methylpent-1-ene,CCC(C)C=C,CCC(C)C=C,"InChI=1/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3",C6H12,,,,,,LDTAOIUHUHHCMU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.982,212-080-6,760-32-7,Diethylmethylsilane,(1-ethylpropyl)silane,CCC([SiH3])CC,CCC([SiH3])CC,"InChI=1/C5H14Si/c1-3-5(6)4-2/h5H,3-4H2,1-2,6H3",C5H14Si,,,,,,JXANPYQRUNAGAE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.983,212-081-1,760-67-8,2-ethylhexanoyl chloride,2-ethylhexanoyl chloride,CCCCC(CC)C(=O)Cl,CCCCC(CC)C(=O)Cl,"InChI=1/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3",C8H15ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14221,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.983,WFSGQBNCVASPMW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.987,212-085-3,760-95-2,Diethyl 2-bromononanedioate,diethyl 2-bromononanedioate,CCOC(=O)CCCCCCC(Br)C(=O)OCC,CCOC(=O)CCCCCCC(Br)C(=O)OCC,"InChI=1/C13H23BrO4/c1-3-17-12(15)10-8-6-5-7-9-11(14)13(16)18-4-2/h11H,3-10H2,1-2H3",C13H23BrO4,,,,,,ZMINIOSEUPWFEA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.991,212-090-0,761-65-9,"N,N-dibutylformamide","N,N-dibutylformamide",CCCCN(CCCC)C=O,CCCCN(CCCC)C=O,"InChI=1/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3",C9H19NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12113,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.991,NZMAJUHVSZBJHL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.676,212-843-3,873-57-4,Sodium piperidine-1-carbodithioate,sodium piperidine-1-carbodithioate,[Na+].[S-]C(=S)N1CCCCC1,[Na+].[S-]C(=S)N1CCCCC1,"InChI=1/C6H11NS2.Na/c8-6(9)7-4-2-1-3-5-7;/h1-5H2,(H,8,9);/q;+1/p-1",C6H11NS2.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6498,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.676,RPDVFFALGUJAPM-UHFFFAOYSA-M,,,,,,,,,,,
100.011.677,212-844-9,873-58-5,Sodium morpholine-4-carbodithioate,sodium morpholine-4-carbodithioate,[Na+].[S-]C(=S)N1CCOCC1,[Na+].[S-]C(=S)N1CCOCC1,"InChI=1/C5H9NOS2.Na/c8-5(9)6-1-3-7-4-2-6;/h1-4H2,(H,8,9);/q;+1/p-1",C5H9NOS2.Na,,,,,,DVHOMPKWTYENNE-UHFFFAOYSA-M,,,,,,,,,,,
100.011.681,212-849-6,873-69-8,Pyridine-2-carbaldehyde oxime,pyridine-2-carbaldehyde oxime,ON=Cc1ccccn1,ON=Cc1ccccn1,"InChI=1/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H",C6H6N2O,,,,,,MTFJSAGADRTKCI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.687,212-855-9,873-94-9,"3,3,5-trimethylcyclohexan-1-one","3,3,5-trimethylcyclohexanone",CC1CC(=O)CC(C)(C)C1,CC1CC(=O)CC(C)(C)C1,"InChI=1/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3",C9H16O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5246,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.687,POSWICCRDBKBMH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.688,212-856-4,874-14-6,"1,3-dimethyluracil","1,3-dimethylpyrimidine-2,4(1H,3H)-dione",CN1C=CC(=O)N(C)C1=O,CN1C=CC(=O)N(C)C1=O,"InChI=1/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3",C6H8N2O2,,,,,,JSDBKAHWADVXFU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.692,212-861-1,874-42-0,"2,4-dichlorobenzaldehyde","2,4-dichlorobenzaldehyde",Clc1ccc(C=O)c(Cl)c1,Clc1ccc(C=O)c(Cl)c1,InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,C7H4Cl2O,,,,,,YSFBEAASFUWWHU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.697,212-866-9,874-66-8,3-(2-furyl)methacrylaldehyde,3-(2-furyl)-2-methylacrylaldehyde,C\\C(=C\\c1occc1)\\C=O,C\C(=C\c1occc1)\C=O,"InChI=1/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3",C8H8O2,,,,,,ZNBXZUKDRRRQJK-ALCCZGGFSA-N,,,,,,,,,,,
100.011.701,212-871-6,874-90-8,p-methoxybenzonitrile,4-methoxybenzonitrile,COc1ccc(cc1)C#N,COc1ccc(cc1)C#N,"InChI=1/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3",C8H7NO,,,,,,XDJAAZYHCCRJOK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.703,212-873-7,875-35-4,"2,6-dichloro-4-methylnicotinonitrile","2,6-dichloro-4-methylnicotinonitrile",Cc1cc(Cl)nc(Cl)c1C#N,Cc1cc(Cl)nc(Cl)c1C#N,"InChI=1/C7H4Cl2N2/c1-4-2-6(8)11-7(9)5(4)3-10/h2H,1H3",C7H4Cl2N2,,,,,,LSPMHHJCDSFAAY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.544,210-497-8,616-86-4,2-nitro-p-phenetidine,4-ethoxy-2-nitroaniline,CCOc1ccc(N)c(c1)[N+](=O)[O-],CCOc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3",C8H10N2O3,,,,,,ISFYBUAVOZFROB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.547,210-500-2,617-01-6,o-tolyl salicylate,2-methylphenyl salicylate,Cc1ccccc1OC(=O)c2ccccc2O,Cc1ccccc1OC(=O)c2ccccc2O,"InChI=1/C14H12O3/c1-10-6-2-5-9-13(10)17-14(16)11-7-3-4-8-12(11)15/h2-9,15H,1H3",C14H12O3,,,,,,KITKATPLNVHGFC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.550,210-503-9,617-05-0,Ethyl vanillate,ethyl 4-hydroxy-3-methoxybenzoate,CCOC(=O)c1ccc(O)c(OC)c1,CCOC(=O)c1ccc(O)c(OC)c1,"InChI=1/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3",C10H12O4,,,,,,MWAYRGBWOVHDDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.551,210-504-4,617-09-4,Di-o-tolyl carbonate,bis(2-methylphenyl) carbonate,Cc1ccccc1OC(=O)Oc2ccccc2C,Cc1ccccc1OC(=O)Oc2ccccc2C,"InChI=1/C15H14O3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3",C15H14O3,,,,,,POZGCGJFBOZPCM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.559,210-513-3,617-45-8,"Acid D,L-aspart",aspartic acid,NC(CC(=O)O)C(=O)O,NC(CC(=O)O)C(=O)O,"InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)",C4H7NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5880,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.559,CKLJMWTZIZZHCS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.561,210-515-4,617-49-2,Aminocarbonyloxamide,N-carbamoylethanediamide,NC(=O)NC(=O)C(=O)N,NC(=O)NC(=O)C(=O)N,"InChI=1/C3H5N3O3/c4-1(7)2(8)6-3(5)9/h(H2,4,7)(H3,5,6,8,9)",C3H5N3O3,,,,,,QKVYYYORISFLAF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.564,210-519-6,617-52-7,Dimethyl itaconate,dimethyl 2-methylenesuccinate,COC(=O)CC(=C)C(=O)OC,COC(=O)CC(=C)C(=O)OC,"InChI=1/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3",C7H10O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16997,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.564,ZWWQRMFIZFPUAA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.567,210-522-2,617-65-2,DL-glutamic acid monohydrate,glutamic acid hydrate,O.O=C(O)CCC(N)C(O)=O,O.O=C(O)CCC(N)C(O)=O,"InChI=1/C5H9NO4.H2O/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2",C5H9NO4,,,,,,OZDAOHVKBFBBMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.568,210-523-8,617-68-5,DL-lysine dihydrochloride,lysine dihydrochloride,Cl.Cl.NCCCCC(N)C(=O)O,Cl.Cl.NCCCCC(N)C(=O)O,"InChI=1/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H",C6H14N2O2.2ClH,,,,,,JBBURJFZIMRPCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.572,210-528-5,617-77-6,Triethylbismuthine,triethylbismuthine,CC[Bi](CC)CC,CC[Bi](CC)CC,"InChI=1/3C2H5.Bi/c3*1-2;/h3*1H2,2H3;/rC6H15Bi/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15Bi,,,,,,FPYOWXFLVWSKPS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.573,210-529-0,617-78-7,3-ethylpentane,3-ethylpentane,CCC(CC)CC,CCC(CC)CC,"InChI=1/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3",C7H16,,,,,,AORMDLNPRGXHHL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.383,211-420-0,644-64-4,Dimetilan,1-(dimethylcarbamoyl)-5-methyl-1H-pyrazol-3-yl dimethylcarbamate,CN(C)C(=O)Oc1cc(C)n(n1)C(=O)N(C)C,CN(C)C(=O)Oc1cc(C)n(n1)C(=O)N(C)C,"InChI=1/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3",C10H16N4O3,,,,,,RDBIYWSVMRVKSG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.386,211-423-7,644-87-1,(±)-mercaptosuccinic acid,2-sulfanylsuccinic acid,OC(=O)CC(S)C(=O)O,OC(=O)CC(S)C(=O)O,"InChI=1/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)",C4H6O4S,,,,,,NJRXVEJTAYWCQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.389,211-426-3,644-98-4,2-isopropylpyridine,2-isopropylpyridine,CC(C)c1ccccn1,CC(C)c1ccccn1,"InChI=1/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3",C8H11N,,,,,,PFYPDUUXDADWKC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.390,211-427-9,645-00-1,1-iodo-3-nitrobenzene,1-iodo-3-nitrobenzene,[O-][N+](=O)c1cccc(I)c1,[O-][N+](=O)c1cccc(I)c1,InChI=1/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,C6H4INO2,,,,,,CBYAZOKPJYBCHE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.392,211-430-5,645-08-9,3-hydroxy-p-anisic acid,3-hydroxy-4-methoxybenzoic acid,COc1ccc(cc1O)C(=O)O,COc1ccc(cc1O)C(=O)O,"InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)",C8H8O4,,,,,,LBKFGYZQBSGRHY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.393,211-431-0,645-09-0,3-nitrobenzamide,3-nitrobenzamide,NC(=O)c1cccc(c1)[N+](=O)[O-],NC(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)",C7H6N2O3,,,,,,KWAYEPXDGHYGRW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.396,211-434-7,645-15-8,Bis(4-nitrophenyl) hydrogen phosphate,bis(4-nitrophenyl) hydrogen phosphate,OP(=O)(Oc1ccc(cc1)[N+](=O)[O-])Oc2ccc(cc2)[N+](=O)[O-],OP(=O)(Oc1ccc(cc1)[N+](=O)[O-])Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)",C12H9N2O8P,,,,,,MHSVUSZEHNVFKW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.397,211-435-2,645-17-0,Aluminium trilinoleate,"aluminum trioctadeca-9,12-dienoate",[Al+3].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Al+3].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H32O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H32O2.1/3Al,,,,,,BEQTZCISVVHICR-VLKMOBIUSA-K,,,,,,,,,,,
100.006.130,206-742-3,371-86-8,Mipafox,"N,N'-diisopropylphosphorodiamidic fluoride",CC(C)NP(=O)(F)NC(C)C,CC(C)NP(=O)(F)NC(C)C,"InChI=1/C6H16FN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)",C6H16FN2OP,,,,,,UOSHUBFBCPGQAY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.133,206-746-5,372-18-9,"1,3-difluorobenzene","1,3-difluorobenzene",Fc1cccc(F)c1,Fc1cccc(F)c1,InChI=1/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4F2,,,,,,UEMGWPRHOOEKTA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.134,206-747-0,372-19-0,3-fluoroaniline,3-fluoroaniline,Nc1cccc(F)c1,Nc1cccc(F)c1,"InChI=1/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",C6H6FN,,,,,,QZVQQUVWFIZUBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.139,206-752-8,372-39-4,"3,5-difluoroaniline","3,5-difluoroaniline",Nc1cc(F)cc(F)c1,Nc1cc(F)cc(F)c1,"InChI=1/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2",C6H5F2N,,,,,,KQOIBXZRCYFZSO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.143,206-757-5,372-48-5,2-fluoropyridine,2-fluoropyridine,Fc1ccccn1,Fc1ccccn1,InChI=1/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H,C5H4FN,,,,,,MTAODLNXWYIKSO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.145,206-759-6,372-75-8,Citrulline,N~5~-carbamoylornithine,NC(CCCNC(=O)N)C(=O)O,NC(CCCNC(=O)N)C(=O)O,"InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)",C6H13N3O3,,,,,,RHGKLRLOHDJJDR-UHFFFAOYSA-N,Positive,ML002901,[M+H]+,HCD50,113.0708:159.0763:114.0548,MetaboLights,,,,,
100.006.160,206-775-3,374-27-6,"3,3,4,4,4-pentafluorobut-1-ene","3,3,4,4,4-pentafluorobut-1-ene",FC(F)(F)C(F)(F)C=C,FC(F)(F)C(F)(F)C=C,"InChI=1/C4H3F5/c1-2-3(5,6)4(7,8)9/h2H,1H2",C4H3F5,,,,,,IZHPSCJEIFFRLN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.164,206-780-0,374-99-2,"2,2,3,3,4,4,4-heptafluorobutylamine","2,2,3,3,4,4,4-heptafluorobutan-1-amine",NCC(F)(F)C(F)(F)C(F)(F)F,NCC(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4H4F7N/c5-2(6,1-12)3(7,8)4(9,10)11/h1,12H2",C4H4F7N,,,,,,WBGBQSRNXPVFDB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.165,206-781-6,375-00-8,Heptafluorobutyronitrile,heptafluorobutanenitrile,FC(F)(F)C(F)(F)C(F)(F)C#N,FC(F)(F)C(F)(F)C(F)(F)C#N,"InChI=1/C4F7N/c5-2(6,1-12)3(7,8)4(9,10)11",C4F7N,,,,,,BOZRBIJGLJJPRF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.166,206-782-1,375-01-9,"2,2,3,3,4,4,4-heptafluorobutan-1-ol","2,2,3,3,4,4,4-heptafluorobutan-1-ol",OCC(F)(F)C(F)(F)C(F)(F)F,OCC(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2",C4H3F7O,,,,,,WXJFKAZDSQLPBX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.167,206-783-7,375-02-0,Heptafluorobutyraldehyde,"2,2,3,3,4,4,4-heptafluorobutanal",FC(F)(F)C(F)(F)C(F)(F)C=O,FC(F)(F)C(F)(F)C(F)(F)C=O,"InChI=1/C4HF7O/c5-2(6,1-12)3(7,8)4(9,10)11/h1H",C4HF7O,,,,,,IQJZGNJYXIIMGP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.168,206-784-2,375-14-4,"3,3,4,4,5,5,5-heptafluoropentan-2-ol","3,3,4,4,5,5,5-heptafluoropentan-2-ol",CC(O)C(F)(F)C(F)(F)C(F)(F)F,CC(O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5H5F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2,13H,1H3",C5H5F7O,,,,,,RBPHBIMHZSTIDT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.169,206-785-8,375-16-6,Heptafluorobutyryl chloride,heptafluorobutanoyl chloride,FC(F)(F)C(F)(F)C(F)(F)C(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(=O)Cl,"InChI=1/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12",C4ClF7O,,,,,,WFELVFKXQJYPSL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.174,206-791-0,375-63-3,"Trichloro(1,1,2,2,3,3,4,4-octafluorobutyl)silane","trichloro(1,1,2,2,3,3,4,4-octafluorobutyl)silane",FC(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)Cl,FC(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)Cl,"InChI=1/C4HCl3F8Si/c5-16(6,7)4(14,15)3(12,13)2(10,11)1(8)9/h1H",C4HCl3F8Si,,,,,,MYZMPPUVPXNBEL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.176,206-793-1,375-73-5,"1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonic acid","1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)",C4HF9O3S,,,,,,JGTNAGYHADQMCM-UHFFFAOYSA-N,Negative,,,,,,EQ367551|EQ367552|EQ367553|EQ367554|EQ367555|EQ367556|EQ367557|EQ367558|EQ367559,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,298.9432:79.9574|298.9432:79.9572:98.9558|298.9434:79.9575:98.9559|79.9575:98.9559:298.9434|79.9574:98.9558:82.9609|79.9575:98.9559:82.961|79.9575:98.9559:68.9959|79.9575:98.9559:63.9625|79.9575:98.9559:63.9625,Eawag
100.006.178,206-795-2,375-81-5,Perfluoropentane-1-sulphonyl fluoride,"1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonyl fluoride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1/C5F12O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19",C5F12O2S,,,,,,USAIUDWRPJQRTG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.179,206-796-8,375-82-6,"2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol","2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol",OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2",C7H3F13O,,,,,,STLNAVFVCIRZLL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.180,206-797-3,375-84-8,Tridecafluoroheptanoyl fluoride,tridecafluoroheptanoyl fluoride,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7F14O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21",C7F14O,,,,,,XLIFBQWTSCGUEB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.181,206-798-9,375-85-9,Perfluoroheptanoic acid,tridecafluoroheptanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)",C7HF13O2,,,,,,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,Negative,,,,,,EA271651|EA271652|EA271653|EA271654|EA271655|EA271658|EA271659,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD15|HCD30,318.9798:168.9891:362.982|318.9792:168.9891|168.9894:118.9925|168.9894:118.9921|318.98|318.9799:168.9891|168.9892:318.9796:118.9925,Eawag
100.011.142,212-256-2,773-01-3,"2,4,6-trimethylpyrylium tetrafluoroborate","2,4,6-trimethylpyrylium tetrafluoroborate",Cc1cc(C)[o+]c(C)c1.F[B-](F)(F)F,Cc1cc(C)[o+]c(C)c1.F[B-](F)(F)F,"InChI=1/C8H11O.BF4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1",C8H11O.BF4,,,,,,PYOPRIFMELCENN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.145,212-259-9,773-82-0,Pentafluorobenzonitrile,pentafluorobenzonitrile,Fc1c(F)c(F)c(C#N)c(F)c1F,Fc1c(F)c(F)c(C#N)c(F)c1F,InChI=1/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10,C7F5N,,,,,,YXWJGZQOGXGSSC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.156,212-271-4,775-12-2,Diphenylsilane,diphenylsilane,[SiH2](c1ccccc1)c2ccccc2,[SiH2](c1ccccc1)c2ccccc2,"InChI=1/C12H12Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,13H2",C12H12Si,,,,,,VDCSGNNYCFPWFK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.161,212-277-7,776-34-1,4-nitro-1-naphthylamine,4-nitronaphthalen-1-amine,Nc1ccc(c2ccccc12)[N+](=O)[O-],Nc1ccc(c2ccccc12)[N+](=O)[O-],"InChI=1/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2",C10H8N2O2,,,,,,BVPJPRYNQHAOPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.943,213-136-2,926-54-5,"trans-2-methylpenta-1,3-diene","2-methylpenta-1,3-diene",C\\C=C\\C(=C)C,C\C=C\C(=C)C,"InChI=1/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3",C6H10,,,,,,RCJMVGJKROQDCB-SNAWJCMRSA-N,,,,,,,,,,,
100.011.945,213-138-3,926-57-8,"1,3-dichlorobut-2-ene","1,3-dichlorobut-2-ene",CC(Cl)=CCCl,CC(Cl)=CCCl,"InChI=1/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3",C4H6Cl2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1833,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.945,WLIADPFXSACYLS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.947,213-140-4,926-64-7,Dimethylaminoacetonitrile,(dimethylamino)acetonitrile,CN(C)CC#N,CN(C)CC#N,"InChI=1/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3",C4H8N2,,,,,,PLXBWEPPAAQASG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.951,213-145-1,926-79-4,N-L-alanyl-N-L-alanyl-N-L-alanyl-L-alanine,alanylalanylalanylalanine,CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O,CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O,"InChI=1/C12H22N4O5/c1-5(13)9(17)14-6(2)10(18)15-7(3)11(19)16-8(4)12(20)21/h5-8H,13H2,1-4H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)",C12H22N4O5,,,,,,ZHRZLXZJVUFLNY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.953,213-147-2,927-07-1,tert-butyl peroxypivalate,"tert-butyl 2,2-dimethylpropaneperoxoate",CC(C)(C)OOC(=O)C(C)(C)C,CC(C)(C)OOC(=O)C(C)(C)C,"InChI=1/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3",C9H18O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14312,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.953,OPQYOFWUFGEMRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.960,213-155-6,927-60-6,4-hydroxybutyramide,4-hydroxybutanamide,NC(=O)CCCO,NC(=O)CCCO,"InChI=1/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)",C4H9NO2,,,,,,LOESDOAIWSCMKM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.968,213-164-5,927-80-0,Ethyl ethynyl ether,ethoxyacetylene,CCOC#C,CCOC#C,"InChI=1/C4H6O/c1-3-5-4-2/h1H,4H2,2H3",C4H6O,,,,,,WMYNMYVRWWCRPS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.970,213-166-6,927-86-6,(2-acetoxyethyl)trimethylammonium perchlorate,"2-acetoxy-N,N,N-trimethylethanaminium perchlorate",CC(=O)OCC[N+](C)(C)C.[O-]Cl(=O)(=O)=O,CC(=O)OCC[N+](C)(C)C.[O-]Cl(=O)(=O)=O,"InChI=1/C7H16NO2.ClHO4/c1-7(9)10-6-5-8(2,3)4;2-1(3,4)5/h5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C7H16NO2.ClO4,,,,,,SHIQLFRCVFUYEK-UHFFFAOYSA-M,,,,,,,,,,,
100.011.973,213-169-2,928-04-1,Potassium hydrogen butynedioate,potassium hydrogen but-2-ynedioate,[K+].[O-]C(=O)C#CC(=O)[O-],[K+].[O-]C(=O)C#CC(=O)[O-],"InChI=1/C4H2O4.K/c5-3(6)1-2-4(7)8;/h(H,5,6)(H,7,8);/q;+1/p-2",C4H2O4.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16637,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.973,KLLYWRUTRAFSJT-UHFFFAOYSA-L,,,,,,,,,,,
100.011.978,213-175-5,928-51-8,4-chlorobutan-1-ol,4-chlorobutan-1-ol,OCCCCCl,OCCCCCl,"InChI=1/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2",C4H9ClO,,,,,,HXHGULXINZUGJX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.980,213-177-6,928-57-4,2-chloroethyl thiocyanate,2-chloroethyl thiocyanate,ClCCSC#N,ClCCSC#N,InChI=1/C3H4ClNS/c4-1-2-6-3-5/h1-2H2,C3H4ClNS,,,,,,DYLSBDPBASJBDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.982,213-179-7,928-68-7,6-methylheptan-2-one,6-methylheptan-2-one,CC(C)CCCC(=O)C,CC(C)CCCC(=O)C,"InChI=1/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3",C8H16O,,,,,,DPLGXGDPPMLJHN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.985,213-182-3,928-73-4,[(aminocarbonyl)hydrazono]acetic acid,(carbamoylhydrazono)acetic acid,OC(=O)C=NNC(N)=O,OC(=O)C=NNC(N)=O,"InChI=1/C3H5N3O3/c4-3(9)6-5-1-2(7)8/h1H,(H,7,8)(H3,4,6,9)",C3H5N3O3,,,,,,QZSYGBNBQHRGKK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.988,213-186-5,928-89-2,6-chlorohex-1-ene,6-chlorohex-1-ene,ClCCCCC=C,ClCCCCC=C,"InChI=1/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2",C6H11Cl,,,,,,BLMIXWDJHNJWDT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.995,213-193-3,928-97-2,trans-hex-3-en-1-ol,hex-3-en-1-ol,CC\\C=C\\CCO,CC\C=C\CCO,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3",C6H12O,,,,,,UFLHIIWVXFIJGU-ONEGZZNKSA-N,,,,,,,,,,,
100.009.520,210-471-6,616-24-0,1-ethylpropylamine,pentan-3-amine,CCC(N)CC,CCC(N)CC,"InChI=1/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3",C5H13N,,,,,,PQPFFKCJENSZKL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.709,212-880-5,876-02-8,4-hydroxy-3-methylacetophenone,1-(4-hydroxy-3-methylphenyl)ethanone,CC(=O)c1ccc(O)c(C)c1,CC(=O)c1ccc(O)c(C)c1,"InChI=1/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3",C9H10O2,,,,,,LXBHHIZIQVZGFN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.710,212-881-0,876-08-4,4-(chloromethyl)benzoyl chloride,4-(chloromethyl)benzoyl chloride,ClCc1ccc(cc1)C(=O)Cl,ClCc1ccc(cc1)C(=O)Cl,"InChI=1/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2",C8H6Cl2O,,,,,,RCOVTJVRTZGSBP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.714,212-885-2,877-06-5,"7-tert-butoxybicyclo[2.2.1]hepta-2,5-diene","7-tert-butoxybicyclo[2.2.1]hepta-2,5-diene",CC(C)(C)OC1C2C=CC1C=C2,CC(C)(C)OC1C2C=CC1C=C2,"InChI=1/C11H16O/c1-11(2,3)12-10-8-4-5-9(10)7-6-8/h4-10H,1-3H3",C11H16O,,,,,,PTTSCAGWOHYHDN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.715,212-886-8,877-09-8,"2,4,5,6-tetrachloro-m-xylene","1,2,3,5-tetrachloro-4,6-dimethylbenzene",Cc1c(Cl)c(C)c(Cl)c(Cl)c1Cl,Cc1c(Cl)c(C)c(Cl)c(Cl)c1Cl,InChI=1/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3,C8H6Cl4,,,,,,NTUBJKOTTSFEEV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.719,212-891-5,877-43-0,"2,6-dimethylquinoline","2,6-dimethylquinoline",Cc1ccc2nc(C)ccc2c1,Cc1ccc2nc(C)ccc2c1,"InChI=1/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3",C11H11N,,,,,,JJPSZKIOGBRMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.720,212-892-0,877-44-1,"1,2,4-triethylbenzene","1,2,4-triethylbenzene",CCc1ccc(CC)c(CC)c1,CCc1ccc(CC)c(CC)c1,"InChI=1/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h7-9H,4-6H2,1-3H3",C12H18,,,,,,WNLWIOJSURYFIB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.722,212-894-1,877-65-6,4-tert-butylbenzyl alcohol,(4-tert-butylphenyl)methanol,CC(C)(C)c1ccc(CO)cc1,CC(C)(C)c1ccc(CO)cc1,"InChI=1/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3",C11H16O,,,,,,FVEINXLJOJPHLH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.725,212-897-8,877-95-2,N-(2-phenylethyl)acetamide,N-(2-phenylethyl)acetamide,CC(=O)NCCc1ccccc1,CC(=O)NCCc1ccccc1,"InChI=1/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)",C10H13NO,,,,,,MODKMHXGCGKTLE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.585,213-843-6,1028-86-0,N-(2-chloro-3-pyridyl)-o-nitrobenzamide,N-(2-chloropyridin-3-yl)-2-nitrobenzamide,[O-][N+](=O)c1ccccc1C(=O)Nc2cccnc2Cl,[O-][N+](=O)c1ccccc1C(=O)Nc2cccnc2Cl,"InChI=1/C12H8ClN3O3/c13-11-9(5-3-7-14-11)15-12(17)8-4-1-2-6-10(8)16(18)19/h1-7H,(H,15,17)",C12H8ClN3O3,,,,,,JZEBEDCRJXPXIC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.587,213-845-7,1030-02-0,"3,3'-[(phenylmethylene)bis(thio)]bispropionic acid","3,3'-[(phenylmethylene)disulfanediyl]dipropanoic acid",OC(=O)CCSC(SCCC(=O)O)c1ccccc1,OC(=O)CCSC(SCCC(=O)O)c1ccccc1,"InChI=1/C13H16O4S2/c14-11(15)6-8-18-13(19-9-7-12(16)17)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)(H,16,17)",C13H16O4S2,,,,,,KSXRJLUOKLRLEN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.591,213-849-9,1032-65-1,Cytidine 5'-(dihydrogen phosphate),4-amino-1-(2-deoxy-5-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O)O)O2,NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O)O)O2,"InChI=1/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)",C9H14N3O7P,,,,,,NCMVOABPESMRCP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.604,213-864-0,1039-17-4,"17ß-hydroxy-17-methylandrosta-4,9(11)-dien-3-one","17-hydroxy-17-methylandrosta-4,9(11)-dien-3-one",C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,"InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,12,15,17,22H,4-6,8-11H2,1-3H3",C20H28O2,,,,,,BFMZZSBHQOCQFQ-HTDHLNIYSA-N,,,,,,,,,,,
100.012.606,213-866-1,1041-00-5,"2,2'-vinylenebis[5-methylbenzoxazole]","2,2'-ethene-1,2-diylbis(5-methyl-1,3-benzoxazole)",Cc1ccc2oc(C=Cc3oc4ccc(C)cc4n3)nc2c1,Cc1ccc2oc(C=Cc3oc4ccc(C)cc4n3)nc2c1,"InChI=1/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3",C18H14N2O2,,,,,,VKRZNAWSCAUDRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.612,213-872-4,1043-21-6,Pirenoxine,"1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid",OC(=O)c1cc(O)c2C3=Nc4ccccc4OC3=CC(=O)c2n1,OC(=O)c1cc(O)c2C3=Nc4ccccc4OC3=CC(=O)c2n1,"InChI=1/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)",C16H8N2O5,,,,,,OKPNYGAWTYOBFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.615,213-876-6,1045-69-8,(17ß)-hydroxyandrost-4-en-3-one acetate,3-oxoandrost-4-en-17-yl acetate,CC(=O)O[C@H]2CC[C@H]3[C@@H]4CC\\C1=C\\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,CC(=O)O[C@H]2CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,"InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3",C21H30O3,,,,,,DJPZSBANTAQNFN-PXQJOHHUSA-N,,,,,,,,,,,
100.012.616,213-877-1,1045-82-5,2-chloro-10-[3-(diethylamino)propionyl]-10H-phenothiazinium chloride,2-chloro-10-[3-(diethylamino)propanoyl]-10H-phenothiazin-10-ium chloride,[Cl-].CCN(CC)CCC(=O)[NH+]1c2ccccc2Sc3ccc(Cl)cc13,[Cl-].CCN(CC)CCC(=O)[NH+]1c2ccccc2Sc3ccc(Cl)cc13,"InChI=1/C19H21ClN2OS.ClH/c1-3-21(4-2)12-11-19(23)22-15-7-5-6-8-17(15)24-18-10-9-14(20)13-16(18)22;/h5-10,13H,3-4,11-12H2,1-2H3;1H",C19H21ClN2OS.ClH,,,,,,QELDTSNVBZMBTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.398,211-436-8,645-31-8,4-(2-aminoethyl)pyrocatechol hydrobromide,"4-(2-aminoethyl)benzene-1,2-diol hydrobromide",Br.NCCc1ccc(O)c(O)c1,Br.NCCc1ccc(O)c(O)c1,"InChI=1/C8H11NO2.BrH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H",C8H11NO2.BrH,,,,,,SGRSNYSOAPBTJP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.399,211-437-3,645-33-0,4-(2-aminoethyl)guaiacol hydrochloride,4-(2-aminoethyl)-2-methoxyphenol hydrochloride,Cl.COc1cc(CCN)ccc1O,Cl.COc1cc(CCN)ccc1O,"InChI=1/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H",C9H13NO2.ClH,,,,,,AWRIOTVUTPLWLF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.401,211-439-4,645-36-3,"2,2-diethoxyethylamine","2,2-diethoxyethanamine",CCOC(CN)OCC,CCOC(CN)OCC,"InChI=1/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3",C6H15NO2,,,,,,HJKLEAOXCZIMPI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.404,211-443-6,645-45-4,3-phenylpropionyl chloride,3-phenylpropanoyl chloride,ClC(=O)CCc1ccccc1,ClC(=O)CCc1ccccc1,"InChI=1/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C9H9ClO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17632,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.404,MFEILWXBDBCWKF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.406,211-445-7,645-49-8,cis-stilbene,"1,1'-ethene-1,2-diyldibenzene",C(=C/c1ccccc1)/c2ccccc2,C(=C/c1ccccc1)/c2ccccc2,InChI=1/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H,C14H12,,,,,,PJANXHGTPQOBST-QXMHVHEDSA-N,,,,,,,,,,,
100.010.407,211-446-2,645-56-7,p-propylphenol,4-propylphenol,CCCc1ccc(O)cc1,CCCc1ccc(O)cc1,"InChI=1/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3",C9H12O,,,,,,KLSLBUSXWBJMEC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.416,211-456-7,645-93-2,"6-amino-1,3,5-triazine-2,4(1H,3H)-dione","6-amino-1,3,5-triazine-2,4(1H,3H)-dione",NC1=NC(=O)NC(=O)N1,NC1=NC(=O)NC(=O)N1,"InChI=1/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)",C3H4N4O2,,,,,,YSKUZVBSHIWEFK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.418,211-458-8,645-99-8,Mercury distearate,mercury dioctadecanoate,[Hg+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Hg+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Hg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Hg,,,,,,RRFMRVBJWLMSAB-UHFFFAOYSA-L,,,,,,,,,,,
100.010.423,211-464-0,646-07-1,4-methylvaleric acid,4-methylpentanoic acid,CC(C)CCC(=O)O,CC(C)CCC(=O)O,"InChI=1/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",C6H12O2,,,,,,FGKJLKRYENPLQH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.427,211-468-2,646-19-5,Heptamethylenediamine,"heptane-1,7-diamine",NCCCCCCCN,NCCCCCCCN,InChI=1/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2,C7H18N2,,,,,,PWSKHLMYTZNYKO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.429,211-470-3,646-24-2,Nonamethylenediamine,"nonane-1,9-diamine",NCCCCCCCCCN,NCCCCCCCCCN,InChI=1/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2,C9H22N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10159,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.429,SXJVFQLYZSNZBT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.430,211-471-9,646-25-3,Decamethylenediamine,"decane-1,10-diamine",NCCCCCCCCCCN,NCCCCCCCCCCN,InChI=1/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2,C10H24N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13165,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.430,YQLZOAVZWJBZSY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.434,211-476-6,647-12-1,Perfluorooctanenitrile,pentadecafluorooctanenitrile,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C#N,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C#N,"InChI=1/C8F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23",C8F15N,,,,,,FULLNJNBFUCVES-UHFFFAOYSA-N,,,,,,,,,,,
100.011.163,212-279-8,776-74-9,Bromo(diphenyl)methane,"1,1'-(bromomethylene)dibenzene",BrC(c1ccccc1)c2ccccc2,BrC(c1ccccc1)c2ccccc2,"InChI=1/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H",C13H11Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18890,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.163,OQROAIRCEOBYJA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.164,212-280-3,776-75-0,1-benzoylpiperidine,1-benzoylpiperidine,O=C(N1CCCCC1)c2ccccc2,O=C(N1CCCCC1)c2ccccc2,"InChI=1/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2",C12H15NO,,,,,,YXTROGRGRSPWKL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.165,212-281-9,776-76-1,Methyldiphenylsilane,methyl(diphenyl)silane,C[SiH](c1ccccc1)c2ccccc2,C[SiH](c1ccccc1)c2ccccc2,"InChI=1/C13H14Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3",C13H14Si,,,,,,FULSRCPEOUATID-UHFFFAOYSA-N,,,,,,,,,,,
100.011.167,212-284-5,776-88-5,"5,5-dimethyl-2-phenyl-1,3-dioxane","5,5-dimethyl-2-phenyl-1,3-dioxane",CC1(C)COC(OC1)c2ccccc2,CC1(C)COC(OC1)c2ccccc2,"InChI=1/C12H16O2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3",C12H16O2,,,,,,VUJMMVJKRWURKX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.169,212-286-6,777-11-7,Haloprogin,"1,2,4-trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene",Clc1cc(Cl)c(OCC#CI)cc1Cl,Clc1cc(Cl)c(OCC#CI)cc1Cl,"InChI=1/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2",C9H4Cl3IO,,,,,,CTETYYAZBPJBHE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.170,212-287-1,777-37-7,"2-chloro-a,a,a-trifluoro-5-nitrotoluene",1-chloro-4-nitro-2-(trifluoromethyl)benzene,[O-][N+](=O)c1ccc(Cl)c(c1)C(F)(F)F,[O-][N+](=O)c1ccc(Cl)c(c1)C(F)(F)F,"InChI=1/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H",C7H3ClF3NO2,,,,,,HQROXDLWVGFPDE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.183,206-800-8,375-92-8,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonic acid","1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)",C7HF15O3S,,,,,,OYGQVDSRYXATEL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.184,206-801-3,375-95-1,Perfluorononan-1-oic acid,heptadecafluorononanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)",C9HF17O2,,,,,,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,Negative,,,,,,EA271851|EA271852|EA271853|EA271854|EA271856|EA271857|EA271858|EA271859,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD75|HCD90|HCD15|HCD30,418.9733:218.9859:168.989|418.9719:218.9856|168.9887:218.9861|168.9901|418.9727|418.9739|418.9722:218.9862:168.9892|168.989:218.9858,Eawag
100.006.185,206-802-9,375-97-3,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorodecane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorodecane",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10HF21/c11-1(12)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)31/h1H",C10HF21,,,,,,DSNMEFYRPYNWJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.186,206-803-4,376-06-7,Heptacosafluorotetradecanoic acid,heptacosafluorotetradecanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)",C14HF27O2,,,,,,RUDINRUXCKIXAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.187,206-805-5,376-14-7,2-[ethyl[(heptadecafluorooctyl)sulphonyl]amino]ethyl methacrylate,2-{ethyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl methacrylate,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H14F17NO4S/c1-4-34(5-6-38-8(35)7(2)3)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h2,4-6H2,1,3H3",C16H14F17NO4S,,,,,,DBCGADAHIXJHCE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.188,206-806-0,376-18-1,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol",OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2",C9H4F16O,,,,,,MSXVQELLSMPBFD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.191,206-809-7,376-34-1,"Ammonium 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate","ammonium 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate",[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C7H2F12O2.H3N/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21;/h1H,(H,20,21);1H3",C7H2F12O2.H3N,,,,,,XLOKWMRUDKMDSC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.199,206-818-6,376-89-6,Perfluoroglutaronitrile,hexafluoropentanedinitrile,FC(F)(C#N)C(F)(F)C(F)(F)C#N,FC(F)(C#N)C(F)(F)C(F)(F)C#N,"InChI=1/C5F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13",C5F6N2,,,,,,YDLOFKOZJGMQBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.204,206-823-3,378-17-6,"2,2,3,3-tetrafluorocyclobutanemethanol","(2,2,3,3-tetrafluorocyclobutyl)methanol",OCC1CC(F)(F)C1(F)F,OCC1CC(F)(F)C1(F)F,"InChI=1/C5H6F4O/c6-4(7)1-3(2-10)5(4,8)9/h3,10H,1-2H2",C5H6F4O,,,,,,DIXNZPIYNXRZEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.205,206-824-9,378-38-1,"9-fluoro-11ß-hydroxy-6a-methylpregn-4-ene-3,20-dione","9-fluoro-11-hydroxy-6-methylpregn-4-ene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)CCC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)CCC(=O)C=C14,"InChI=1/C22H31FO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h10,12,15-16,18-19,26H,5-9,11H2,1-4H3",C22H31FO3,,,,,,RWGSFMGQJFCHTC-ORKYMPNQSA-N,,,,,,,,,,,
100.006.209,206-829-6,378-76-7,Potassium pentafluoropropionate,potassium pentafluoropropanoate,[K+].[O-]C(=O)C(F)(F)C(F)(F)F,[K+].[O-]C(=O)C(F)(F)C(F)(F)F,"InChI=1/C3HF5O2.K/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);/q;+1/p-1",C3HF5O2.K,,,,,,AHGFDQXBCIASJK-UHFFFAOYSA-M,,,,,,,,,,,
100.006.210,206-830-1,378-77-8,Sodium pentafluoropropionate,sodium pentafluoropropanoate,[Na+].[O-]C(=O)C(F)(F)C(F)(F)F,[Na+].[O-]C(=O)C(F)(F)C(F)(F)F,"InChI=1/C3HF5O2.Na/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);/q;+1/p-1",C3HF5O2.Na,,,,,,SCWLIHXXYXFUFV-UHFFFAOYSA-M,,,,,,,,,,,
100.006.215,206-835-9,379-79-3,Ergotamine tartrate,"5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman 2,3-dihydroxysuccinate (salt)",CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(C(O)C(=O)O)C(=O)O,CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C33H35N5O5.C4H6O6/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)",C33H35N5O5.1/2C4H6O6,,,,,,NMTWKEWYQXZGCI-DDLCCZDQSA-N,,,,,,,,,,,
100.009.528,210-480-5,616-39-7,Diethylmethylamine,pentan-3-amine,CCC(N)CC,CCC(N)CC,"InChI=1/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3",C5H13N,,,,,,PQPFFKCJENSZKL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.529,210-481-0,616-42-2,Dimethyl sulphite,dimethyl sulfite,COS(=O)OC,COS(=O)OC,InChI=1/C2H6O3S/c1-4-6(3)5-2/h1-2H3,C2H6O3S,,,,,,BDUPRNVPXOHWIL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.532,210-484-7,616-47-7,1-methylimidazole,1-methyl-1H-imidazole,Cn1ccnc1,Cn1ccnc1,"InChI=1/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3",C4H6N2,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10038,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.532,MCTWTZJPVLRJOU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.536,210-488-9,616-72-8,"4,6-dinitro-m-xylene","1,5-dimethyl-2,4-dinitrobenzene",Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3",C8H8N2O4,,,,,,FOWXIRIJHSFCRC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.543,210-496-2,616-85-3,4-hydroxy-3-nitrobenzenesulphonic acid,4-hydroxy-3-nitrobenzenesulfonic acid,Oc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O,Oc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C6H5NO6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,11,12,13)",C6H5NO6S,,,,,,JBMAUZQHVVHPEL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.557,210-511-2,617-35-6,Ethyl pyruvate,ethyl 2-oxopropanoate,CCOC(=O)C(=O)C,CCOC(=O)C(=O)C,"InChI=1/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3",C5H8O3,,,,,,XXRCUYVCPSWGCC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.560,210-514-9,617-48-1,DL-malic acid,malic acid,OC(CC(=O)O)C(=O)O,OC(CC(=O)O)C(=O)O,"InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",C4H6O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14420,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.560,BJEPYKJPYRNKOW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.565,210-520-1,617-57-2,2-(2-hydroxy-1-oxopropoxy)propionic acid,2-(lactoyloxy)propanoic acid,CC(O)C(=O)OC(C)C(=O)O,CC(O)C(=O)OC(C)C(=O)O,"InChI=1/C6H10O5/c1-3(7)6(10)11-4(2)5(8)9/h3-4,7H,1-2H3,(H,8,9)",C6H10O5,,,,,,OZZQHCBFUVFZGT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.566,210-521-7,617-62-9,2-methylglutaric acid,2-methylpentanedioic acid,CC(CCC(=O)O)C(=O)O,CC(CCC(=O)O)C(=O)O,"InChI=1/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)",C6H10O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11216,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.566,AQYCMVICBNBXNA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.569,210-524-3,617-73-2,2-hydroxyoctanoic acid,2-hydroxyoctanoic acid,CCCCCCC(O)C(=O)O,CCCCCCC(O)C(=O)O,"InChI=1/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)",C8H16O3,,,,,,JKRDADVRIYVCCY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.570,210-525-9,617-74-3,2-ethoxyethyl lactate,2-ethoxyethyl 2-hydroxypropanoate,CCOCCOC(=O)C(C)O,CCOCCOC(=O)C(C)O,"InChI=1/C7H14O4/c1-3-10-4-5-11-7(9)6(2)8/h6,8H,3-5H2,1-2H3",C7H14O4,,,,,,WWLJGQOZMKGWOW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.384,211-421-6,644-69-9,(S)-5-[(ß-D-glucopyranosyloxy)methyl]furan-2(5H)-one,"(5-oxo-2,5-dihydrofuran-2-yl)methyl beta-D-glucopyranoside",OC[C@H]1O[C@@H](OC[C@H]2OC(=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](OC[C@H]2OC(=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2",C11H16O8,,,,,,TYWXNGXVSZRXNA-NVZSGMJQSA-N,,,,,,,,,,,
100.010.385,211-422-1,644-78-0,2-hydroxychalcone,3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one,Oc1ccccc1\\C=C\\C(=O)c2ccccc2,Oc1ccccc1\C=C\C(=O)c2ccccc2,"InChI=1/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H",C15H12O2,,,,,,UDOOPSJCRMKSGL-ZHACJKMWSA-N,,,,,,,,,,,
100.010.391,211-428-4,645-05-6,Altretamine,"N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-2,4,6-triamine",CN(C)c1nc(nc(n1)N(C)C)N(C)C,CN(C)c1nc(nc(n1)N(C)C)N(C)C,InChI=1/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3,C9H18N6,,,,,,UUVWYPNAQBNQJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.394,211-432-6,645-12-5,5-nitro-2-furoic acid,5-nitro-2-furoic acid,OC(=O)c1oc(cc1)[N+](=O)[O-],OC(=O)c1oc(cc1)[N+](=O)[O-],"InChI=1/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)",C5H3NO5,,,,,,IODMEDPPCXSFLD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.405,211-444-1,645-48-7,1-phenylthiosemicarbazide,2-phenylhydrazinecarbothioamide,NC(=S)NNc1ccccc1,NC(=S)NNc1ccccc1,"InChI=1/C7H9N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)",C7H9N3S,,,,,,JDXKTOBMLZLCSB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.408,211-447-8,645-59-0,3-phenylpropiononitrile,3-phenylpropanenitrile,N#CCCc1ccccc1,N#CCCc1ccccc1,"InChI=1/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2",C9H9N,,,,,,ACRWYXSKEHUQDB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.409,211-448-3,645-62-5,2-ethylhex-2-enal,2-ethylhex-2-enal,CCC(=CCCC)C=O,CCC(=CCCC)C=O,"InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3",C8H14O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19089,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.409,PYLMCYQHBRSDND-UHFFFAOYSA-N,,,,,,,,,,,
100.010.410,211-449-9,645-66-9,Lauroyl anhydride,dodecanoic anhydride,CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC,"InChI=1/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C24H46O3,,,,,,NWADXBLMWHFGGU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.621,213-882-9,1049-38-3,3-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]benzoselenazolium iodide,"3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoselenazol-3-ium iodide",[I-].CC[n+]3c4ccccc4[se]c3C=CC=C2[Se]c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4[se]c3C=CC=C2[Se]c1ccccc1N2CC,-,C21H21N2Se2.I,,,,,,DKIUNHZPZZAPAW-UHFFFAOYSA-M,,,,,,,,,,,
100.012.629,213-891-8,1057-07-4,5-a-17-ß-hydroxyandrostan-3-one benzoate,3-oxoandrostan-17-yl benzoate,C[C@]12CCC(=O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]23,C[C@]12CCC(=O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]23,"InChI=1/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3",C26H34O3,,,,,,ZGDZDAPCWHIIKB-LVYWIKMTSA-N,,,,,,,,,,,
100.012.412,213-653-3,998-93-6,4-bromoheptane,4-bromoheptane,CCCC(Br)CCC,CCCC(Br)CCC,"InChI=1/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3",C7H15Br,,,,,,BNUTXEKPXPZAIT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.414,213-655-4,999-06-4,4-bromooctane,4-bromooctane,CCCCC(Br)CCC,CCCCC(Br)CCC,"InChI=1/C8H17Br/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3",C8H17Br,,,,,,FDODEDHSASFCSW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.418,213-660-1,999-40-6,Neryl butyrate,"3,7-dimethylocta-2,6-dien-1-yl butyrate",CCCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3",C14H24O2,,,,,,ZSBOMYJPSRFZAL-JLHYYAGUSA-N,,,,,,,,,,,
100.012.419,213-661-7,999-52-0,3-chloroheptane,3-chloroheptane,CCCCC(Cl)CC,CCCCC(Cl)CC,"InChI=1/C7H15Cl/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3",C7H15Cl,,,,,,DMKNOEJJJSHSML-UHFFFAOYSA-N,,,,,,,,,,,
100.012.426,213-669-0,1000-05-1,"1,1,3,3,5,5,7,7-octamethyltetrasiloxane","1,1,3,3,5,5,7,7-octamethyltetrasiloxane",C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C,C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C,"InChI=1/C8H26O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h12-13H,1-8H3",C8H26O3Si4,,,,,,MMAKNNYIZYDWTD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.429,213-672-7,1000-67-5,Sodium butyl sulphate,sodium butyl sulfate,[Na+].CCCCOS(=O)(=O)[O-],[Na+].CCCCOS(=O)(=O)[O-],"InChI=1/C4H10O4S.Na/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1",C4H10O4S.Na,,,,,,NGDIAZZSCVVCEW-UHFFFAOYSA-M,,,,,,,,,,,
100.012.434,213-677-4,1000-86-8,"2,4-dimethylpenta-1,3-diene","2,4-dimethylpenta-1,3-diene",CC(=CC(=C)C)C,CC(=CC(=C)C)C,"InChI=1/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3",C7H12,,,,,,CMSUNVGIWAFNBG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.435,213-679-5,1000-87-9,"2,4-dimethylpenta-2,3-diene","2,4-dimethylpenta-2,3-diene",CC(=C=C(C)C)C,CC(=C=C(C)C)C,InChI=1/C7H12/c1-6(2)5-7(3)4/h1-4H3,C7H12,,,,,,DZSNJASVIURWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.444,213-688-4,1002-62-6,Sodium decanoate,sodium decanoate,[Na+].CCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCC(=O)[O-],"InChI=1/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1",C10H20O2.Na,,,,,,FIWQZURFGYXCEO-UHFFFAOYSA-M,,,,,,,,,,,
100.012.449,213-694-7,1002-88-6,Cobalt distearate,cobalt(2+) dioctadecanoate,[Co+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Co+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Co,,,,,,AMFIJXSMYBKJQV-UHFFFAOYSA-L,,,,,,,,,,,
100.012.454,213-699-4,1003-09-4,2-bromothiophene,2-bromothiophene,Brc1cccs1,Brc1cccs1,InChI=1/C4H3BrS/c5-4-2-1-3-6-4/h1-3H,C4H3BrS,,,,,,TUCRZHGAIRVWTI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.458,213-703-4,1003-19-6,"1,1-diethylcyclopropane","1,1-diethylcyclopropane",CCC1(CC)CC1,CCC1(CC)CC1,"InChI=1/C7H14/c1-3-7(4-2)5-6-7/h3-6H2,1-2H3",C7H14,,,,,,VUROAZUCSQPSOK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.461,213-707-6,1003-38-9,"Tetrahydro-2,5-dimethylfuran","2,5-dimethyltetrahydrofuran",CC1CCC(C)O1,CC1CCC(C)O1,"InChI=1/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3",C6H12O,,,,,,OXMIDRBAFOEOQT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.464,213-710-2,1003-56-1,3-methyl-2-pyridone,3-methylpyridin-2(1H)-one,CC1=CC=CNC1=O,CC1=CC=CNC1=O,"InChI=1/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)",C6H7NO,,,,,,MVKDNXIKAWKCCS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.009,211-009-6,627-70-3,Acetone azine,diisopropylidenehydrazine,CC(=NN=C(C)C)C,CC(=NN=C(C)C)C,InChI=1/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3,C6H12N2,,,,,,PFLUPZGCTVGDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.011,211-011-7,627-76-9,(±)-2-aminopimelic acid,2-aminoheptanedioic acid,NC(CCCCC(=O)O)C(=O)O,NC(CCCCC(=O)O)C(=O)O,"InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)",C7H13NO4,,,,,,JUQLUIFNNFIIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.012,211-012-2,627-77-0,DL-2-amino-5-ureidovaleric acid,N~5~-carbamoylornithine,NC(CCCNC(=O)N)C(=O)O,NC(CCCNC(=O)N)C(=O)O,"InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)",C6H13N3O3,,,,,,RHGKLRLOHDJJDR-UHFFFAOYSA-N,Positive,ML002901,[M+H]+,HCD50,113.0708:159.0763:114.0548,MetaboLights,,,,,
100.011.173,212-290-8,777-80-0,Methyl 3-(phenylthio)isobutyrate,methyl 2-methyl-3-(phenylsulfanyl)propanoate,COC(=O)C(C)CSc1ccccc1,COC(=O)C(C)CSc1ccccc1,"InChI=1/C11H14O2S/c1-9(11(12)13-2)8-14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O2S,,,,,,GLYXACFPCLUSBA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.174,212-291-3,777-95-7,"1,6-dioxacyclododecane-7,12-dione","1,6-dioxacyclododecane-7,12-dione",O=C1CCCCC(=O)OCCCCO1,O=C1CCCCC(=O)OCCCCO1,InChI=1/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2,C10H16O4,,,,,,AXKZIDYFAMKWSA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.178,212-296-0,778-82-5,Ethyl indol-3-ylacetate,ethyl 1H-indol-3-ylacetate,CCOC(=O)Cc1c[nH]c2ccccc12,CCOC(=O)Cc1c[nH]c2ccccc12,"InChI=1/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3",C12H13NO2,,,,,,HUDBDWIQSIGUDI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.185,212-303-7,780-11-0,m-tert-butylphenyl methylcarbamate,3-tert-butylphenyl methylcarbamate,CNC(=O)Oc1cccc(c1)C(C)(C)C,CNC(=O)Oc1cccc(c1)C(C)(C)C,"InChI=1/C12H17NO2/c1-12(2,3)9-6-5-7-10(8-9)15-11(14)13-4/h5-8H,1-4H3,(H,13,14)",C12H17NO2,,,,,,FSJYRLHKLVGCNH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.188,212-306-3,781-15-7,"1,2,3,4-tetrachloro-5,6-dinitrobenzene","1,2,3,4-tetrachloro-5,6-dinitrobenzene",[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1[N+](=O)[O-],[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1[N+](=O)[O-],InChI=1/C6Cl4N2O4/c7-1-2(8)4(10)6(12(15)16)5(3(1)9)11(13)14,C6Cl4N2O4,,,,,,XDIPOBQVBXLETD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.190,212-308-4,781-43-1,"9,10-dimethylanthracene","9,10-dimethylanthracene",Cc1c2ccccc2c(C)c3ccccc13,Cc1c2ccccc2c(C)c3ccccc13,"InChI=1/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3",C16H14,,,,,,JTGMTYWYUZDRBK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.197,212-316-8,784-38-3,2-amino-5-chloro-2'-fluorobenzophenone,(2-amino-5-chlorophenyl)(2-fluorophenyl)methanone,Nc1ccc(Cl)cc1C(=O)c2ccccc2F,Nc1ccc(Cl)cc1C(=O)c2ccccc2F,"InChI=1/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2",C13H9ClFNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17982,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.197,GTGMXPIQRQSORU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.202,212-322-0,785-56-8,"3,5-bis(trifluoromethyl)benzoyl chloride","3,5-bis(trifluoromethyl)benzoyl chloride",FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Cl,FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Cl,"InChI=1/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H",C9H3ClF6O,,,,,,WAKMMQSMEDJRRI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.203,212-323-6,785-78-4,1-[4-(2-phenylethyl)phenyl]ethan-1-one,1-[4-(2-phenylethyl)phenyl]ethanone,CC(=O)c1ccc(CCc2ccccc2)cc1,CC(=O)c1ccc(CCc2ccccc2)cc1,"InChI=1/C16H16O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3",C16H16O,,,,,,KIRXEYNVGWVPRO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.205,212-325-7,786-25-4,N'4-formyl-N'1-thiazol-2-ylsulphanilamide,"4-formamido-N-1,3-thiazol-2-ylbenzenesulfonamide",O=CNc1ccc(cc1)S(=O)(=O)Nc2nccs2,O=CNc1ccc(cc1)S(=O)(=O)Nc2nccs2,"InChI=1/C10H9N3O3S2/c14-7-12-8-1-3-9(4-2-8)18(15,16)13-10-11-5-6-17-10/h1-7H,(H,11,13)(H,12,14)",C10H9N3O3S2,,,,,,XCTDPFHKIGVRLA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.206,212-326-2,786-50-5,10-(chloroacetyl)-10H-phenothiazine,10-(chloroacetyl)-10H-phenothiazine,ClCC(=O)N1c2ccccc2Sc3ccccc13,ClCC(=O)N1c2ccccc2Sc3ccccc13,"InChI=1/C14H10ClNOS/c15-9-14(17)16-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)16/h1-8H,9H2",C14H10ClNOS,,,,,,NVRFGQJNKQLUPU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.000,213-199-6,929-48-6,7-formylheptanoic acid,8-oxooctanoic acid,OC(=O)CCCCCCC=O,OC(=O)CCCCCCC=O,"InChI=1/C8H14O3/c9-7-5-3-1-2-4-6-8(10)11/h7H,1-6H2,(H,10,11)",C8H14O3,,,,,,UEXYJHLCLUYOFA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.005,213-205-7,929-73-7,Dodecylammonium chloride,dodecan-1-aminium chloride,[Cl-].CCCCCCCCCCCC[NH3+],[Cl-].CCCCCCCCCCCC[NH3+],"InChI=1/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H",C12H27N.ClH,,,,,,TWFQJFPTTMIETC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.006,213-206-2,929-75-9,"3,6,9-trioxaundecamethylenediamine","2,2'-[oxybis(ethane-2,1-diyloxy)]diethanamine",NCCOCCOCCOCCN,NCCOCCOCCOCCN,InChI=1/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2,C8H20N2O3,,,,,,NIQFAJBKEHPUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.009,213-209-9,930-08-5,"3,6,9,12-tetraoxapentacosan-1-ol","3,6,9,12-tetraoxapentacosan-1-ol",CCCCCCCCCCCCCOCCOCCOCCOCCO,CCCCCCCCCCCCCOCCOCCOCCOCCO,"InChI=1/C21H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-14-23-16-18-25-20-21-26-19-17-24-15-13-22/h22H,2-21H2,1H3",C21H44O5,,,,,,XGJLRCKXPUPYKH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.014,213-215-1,930-35-8,"1,3-dithiole-2-thione","1,3-dithiole-2-thione",S=C1SC=CS1,S=C1SC=CS1,InChI=1/C3H2S3/c4-3-5-1-2-6-3/h1-2H,C3H2S3,,,,,,WYKJWNVWJOKVQP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.023,213-225-6,930-87-0,"1,2,5-trimethylpyrrole","1,2,5-trimethyl-1H-pyrrole",Cc1ccc(C)n1C,Cc1ccc(C)n1C,"InChI=1/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3",C7H11N,,,,,,YRABRACUKBOTKB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.025,213-227-7,930-90-5,trans-1-ethyl-2-methylcyclopentane,1-ethyl-2-methylcyclopentane,CC[C@H]1CCC[C@@H]1C,CC[C@H]1CCC[C@@H]1C,"InChI=1/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3",C8H16,,,,,,BSKOLJVTLRLTHE-YUMQZZPRSA-N,,,,,,,,,,,
100.006.220,206-841-1,382-28-5,"2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)morpholine","2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)morpholine",FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F,FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F,"InChI=1/C5F11NO/c6-1(7)3(10,11)18-4(12,13)2(8,9)17(1)5(14,15)16",C5F11NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10245,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.220,PQMAKJUXOOVROI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.221,206-842-7,382-31-0,"2,2,3,4,4,4-hexafluorobutan-1-ol","2,2,3,4,4,4-hexafluorobutan-1-ol",OCC(F)(F)C(F)C(F)(F)F,OCC(F)(F)C(F)C(F)(F)F,"InChI=1/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2",C4H4F6O,,,,,,LVFXLZRISXUAIL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.222,206-843-2,382-45-6,"Androst-4-ene-3,11,17-trione","androst-4-ene-3,11,17-trione",C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O,"InChI=1/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3",C19H24O3,,,,,,RZRPTBIGEANTGU-IRIMSJTPSA-N,,,,,,,,,,,
100.006.226,206-847-4,383-29-9,Bis(p-fluorophenyl)sulphone,"1,1'-sulfonylbis(4-fluorobenzene)",Fc1ccc(cc1)S(=O)(=O)c2ccc(F)cc2,Fc1ccc(cc1)S(=O)(=O)c2ccc(F)cc2,"InChI=1/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H",C12H8F2O2S,,,,,,PLVUIVUKKJTSDM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.233,206-855-8,384-22-5,"2-nitro-a,a,a-trifluorotoluene",1-nitro-2-(trifluoromethyl)benzene,[O-][N+](=O)c1ccccc1C(F)(F)F,[O-][N+](=O)c1ccccc1C(F)(F)F,"InChI=1/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H",C7H4F3NO2,,,,,,NDZJSUCUYPZXPR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.246,206-869-4,390-64-7,Prenylamine,3-methylbut-2-en-1-amine,C/C(C)=C\\CN,C/C(C)=C\CN,"InChI=1/C5H11N/c1-5(2)3-4-6/h3H,4,6H2,1-2H3",C24H27N,,,,,,PFCBHFDNVFQUJI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.247,206-871-5,391-02-6,Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate,ethyl 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylate,CCOC(=O)c1cnc2cc(ccc2c1O)C(F)(F)F,CCOC(=O)c1cnc2cc(ccc2c1O)C(F)(F)F,"InChI=1/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-5-7(13(14,15)16)3-4-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)",C13H10F3NO3,,,,,,YHUWNMJUAZJACG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.249,206-873-6,392-09-6,Methyl 2-fluoro-4-nitrobenzoate,methyl 2-fluoro-4-nitrobenzoate,COC(=O)c1ccc(cc1F)[N+](=O)[O-],COC(=O)c1ccc(cc1F)[N+](=O)[O-],"InChI=1/C8H6FNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3",C8H6FNO4,,,,,,KJCVCRCYCOWPFY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.375,205-911-9,205-99-2,Benzo[e]acephenanthrylene,benzo[e]acephenanthrylene,c1ccc2c(c1)c3cccc4c5ccccc5cc2c34,c1ccc2c(c1)c3cccc4c5ccccc5cc2c34,InChI=1/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H,C20H12,,,,,,FTOVXSOBNPWTSH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.379,205-916-6,207-08-9,Benzo[k]fluoranthene,benzo[k]fluoranthene,c1ccc2cc3c(cc2c1)c4cccc5cccc3c45,c1ccc2cc3c(cc2c1)c4cccc5cccc3c45,InChI=1/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H,C20H12,,,,,,HAXBIWFMXWRORI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.400,205-939-1,233-02-3,"Naphtho[2,1-b]thiophene","naphtho[2,1-b]thiophene",c1ccc2c(c1)ccc3sccc23,c1ccc2c(c1)ccc3sccc23,InChI=1/C12H8S/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-8H,C12H8S,,,,,,LJOLGGXHRVADAA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.407,205-947-5,239-30-5,"Benzo[b]naphtho[2,1-d]furan","benzo[b]naphtho[2,1-d]furan",o1c2ccccc2c3ccc4ccccc4c13,o1c2ccccc2c3ccc4ccccc4c13,InChI=1/C16H10O/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H,C16H10O,,,,,,BCBSVZISIWCHFM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.413,205-953-8,243-28-7,5H-benzo[b]carbazole,5H-benzo[b]carbazole,c1ccc2cc3c(cc2c1)[nH]c4ccccc34,c1ccc2cc3c(cc2c1)[nH]c4ccccc34,"InChI=1/C16H11N/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10,17H",C16H11N,,,,,,ROEOVWIEALGNLM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.422,205-963-2,253-52-1,Phthalazine,phthalazine,c1ccc2cnncc2c1,c1ccc2cnncc2c1,InChI=1/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H,C8H6N2,,,,,,LFSXCDWNBUNEEM-UHFFFAOYSA-N,,,,,,,,,,,
100.005.424,205-965-3,253-82-7,Quinazoline,quinazoline,c1ccc2ncncc2c1,c1ccc2ncncc2c1,InChI=1/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H,C8H6N2,,,,,,JWVCLYRUEFBMGU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.438,205-981-0,271-63-6,"1H-pyrrolo[2,3-b]pyridine","1H-pyrrolo[2,3-b]pyridine",c1cnc2[nH]ccc2c1,c1cnc2[nH]ccc2c1,"InChI=1/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)",C7H6N2,,,,,,MVXVYAKCVDQRLW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.449,205-993-6,275-51-4,Azulene,azulene,c1ccc2cccc2cc1,c1ccc2cccc2cc1,InChI=1/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H,C10H8,,,,,,CUFNKYGDVFVPHO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.452,205-996-2,279-23-2,Norbornane,bicyclo[2.2.1]heptane,C1CC2CCC1C2,C1CC2CCC1C2,"InChI=1/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2",C7H12,,,,,,UMRZSTCPUPJPOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.454,205-998-3,279-49-2,"1,4-epoxycyclohexane",7-oxabicyclo[2.2.1]heptane,C1CC2CCC1O2,C1CC2CCC1O2,"InChI=1/C6H10O/c1-2-6-4-3-5(1)7-6/h5-6H,1-4H2",C6H10O,,,,,,YPWFNLSXQIGJCK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.424,211-465-6,646-08-2,"N,N'-(dithiodiethylene)bis[3-aminopropionamide]","N,N'-(disulfanediyldiethane-2,1-diyl)bis(3-aminopropanamide) (non-preferred name)",NCCC(=O)NCCSSCCNC(=O)CCN,NCCC(=O)NCCSSCCNC(=O)CCN,"InChI=1/C10H22N4O2S2/c11-3-1-9(15)13-5-7-17-18-8-6-14-10(16)2-4-12/h1-8,11-12H2,(H,13,15)(H,14,16)",C10H22N4O2S2,,,,,,WELIVEBWRWAGOM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.426,211-467-7,646-14-0,1-nitrohexane,1-nitrohexane,CCCCCC[N+](=O)[O-],CCCCCC[N+](=O)[O-],"InChI=1/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3",C6H13NO2,,,,,,FEYJIFXFOHFGCC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.435,211-477-1,647-42-7,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol","3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2",C8H5F13O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5615,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.435,GRJRKPMIRMSBNK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.166,212-282-4,776-86-3,6-hydroxy-7-methoxy-2-benzopyrone,6-hydroxy-7-methoxy-2H-chromen-2-one,COc1cc2OC(=O)C=Cc2cc1O,COc1cc2OC(=O)C=Cc2cc1O,"InChI=1/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3",C10H8O4,,,,,,SYTYLPHCLSSCOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.175,212-292-9,778-22-3,"2,2-diphenylpropane","1,1'-propane-2,2-diyldibenzene",CC(C)(c1ccccc1)c2ccccc2,CC(C)(c1ccccc1)c2ccccc2,"InChI=1/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3",C15H16,,,,,,MILSYCKGLDDVLM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.179,212-297-6,778-83-6,"2-(2,4,6-trichlorophenoxy)propionic acid","2-(2,4,6-trichlorophenoxy)propanoic acid",CC(Oc1c(Cl)cc(Cl)cc1Cl)C(=O)O,CC(Oc1c(Cl)cc(Cl)cc1Cl)C(=O)O,"InChI=1/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)",C9H7Cl3O3,,,,,,HNDLJIIQWDVRRI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.181,212-299-7,779-02-2,9-methylanthracene,9-methylanthracene,Cc1c2ccccc2cc3ccccc13,Cc1c2ccccc2cc3ccccc13,"InChI=1/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3",C15H12,,,,,,CPGPAVAKSZHMBP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.182,212-300-0,779-51-1,"1,2-diphenylpropene","1,1'-prop-1-ene-1,2-diyldibenzene",CC(=Cc1ccccc1)c2ccccc2,CC(=Cc1ccccc1)c2ccccc2,"InChI=1/C15H14/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3",C15H14,,,,,,OVZXISBUYCEVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.183,212-301-6,779-89-5,3-(trifluoromethyl)cinnamic acid,3-[3-(trifluoromethyl)phenyl]acrylic acid,OC(=O)\\C=C\\c1cccc(c1)C(F)(F)F,OC(=O)\C=C\c1cccc(c1)C(F)(F)F,"InChI=1/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)",C10H7F3O2,,,,,,KSBWHDDGWSYETA-SNAWJCMRSA-N,,,,,,,,,,,
100.011.187,212-305-8,780-69-8,Triethoxy(phenyl)silane,triethoxy(phenyl)silane,CCO[Si](OCC)(OCC)c1ccccc1,CCO[Si](OCC)(OCC)c1ccccc1,"InChI=1/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3",C12H20O3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15777,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.187,JCVQKRGIASEUKR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.200,212-319-4,785-17-1,"5,6,7,8-tetrahydro-<U+03B3>-oxonaphthalene-2-butyric acid","4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid",OC(=O)CCC(=O)c1ccc2CCCCc2c1,OC(=O)CCC(=O)c1ccc2CCCCc2c1,"InChI=1/C14H16O3/c15-13(7-8-14(16)17)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,17)",C14H16O3,,,,,,KTIOSKUXBNFTFX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.201,212-321-5,785-30-8,"4,4'-diaminobenzanilide",4-amino-N-(4-aminophenyl)benzamide,Nc1ccc(NC(=O)c2ccc(N)cc2)cc1,Nc1ccc(NC(=O)c2ccc(N)cc2)cc1,"InChI=1/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)",C13H13N3O,,,,,,XPAQFJJCWGSXGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.207,212-327-8,787-07-5,Ethyl succinylsuccinate,"diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate",CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC,CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC,"InChI=1/C12H16O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7-8H,3-6H2,1-2H3",C12H16O6,,,,,,KSKWGMNRWCYVAT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.208,212-328-3,787-70-2,"[1,1'-biphenyl]-4,4'-dicarboxylic acid","biphenyl-4,4'-dicarboxylic acid",OC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)O,OC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)O,"InChI=1/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)",C14H10O4,,,,,,NEQFBGHQPUXOFH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.210,212-330-4,788-17-0,"N-(1-methylpropyl)-N'-phenylbenzene-1,4-diamine","N-sec-butyl-N'-phenylbenzene-1,4-diamine",CCC(C)Nc1ccc(Nc2ccccc2)cc1,CCC(C)Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C16H20N2/c1-3-13(2)17-15-9-11-16(12-10-15)18-14-7-5-4-6-8-14/h4-13,17-18H,3H2,1-2H3",C16H20N2,,,,,,LIAVGCGPNJLGQT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.211,212-332-5,789-02-6,"2,2,2,o,p'-pentachloroethylidenebisbenzene","1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl,Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl,"InChI=1/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H",C14H9Cl5,,,,,,CVUGPAFCQJIYDT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.212,212-333-0,789-25-3,Triphenylsilane,triphenylsilane,c1ccc(cc1)[SiH](c2ccccc2)c3ccccc3,c1ccc(cc1)[SiH](c2ccccc2)c3ccccc3,"InChI=1/C18H16Si/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H",C18H16Si,,,,,,AKQNYQDSIDKVJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.015,211-015-9,627-88-3,Isopentyl stearate,3-methylbutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C,CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C,"InChI=1/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)25-21-20-22(2)3/h22H,4-21H2,1-3H3",C23H46O2,,,,,,WDQOEAOLRIMQDA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.021,211-022-7,627-97-4,2-methylhept-2-ene,2-methylhept-2-ene,CCCCC=C(C)C,CCCCC=C(C)C,"InChI=1/C8H16/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3",C8H16,,,,,,WEPNJTDVIIKRIK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.030,211-032-1,628-21-7,"1,4-diiodobutane","1,4-diiodobutane",ICCCCI,ICCCCI,InChI=1/C4H8I2/c5-3-1-2-4-6/h1-4H2,C4H8I2,,,,,,ROUYUBHVBIKMQO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.034,211-036-3,628-32-0,Ethyl propyl ether,1-ethoxypropane,CCCOCC,CCCOCC,"InChI=1/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3",C5H12O,,,,,,NVJUHMXYKCUMQA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.037,211-040-5,628-36-4,Hydrazodicarbaldehyde,N'-formylformic hydrazide,O=CNNC=O,O=CNNC=O,"InChI=1/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6)",C2H4N2O2,,,,,,POVXOWVFLAAVBH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.042,211-045-2,628-55-7,"1,1'-oxybis[2-methylpropane]","1,1'-oxybis(2-methylpropane)",CC(C)COCC(C)C,CC(C)COCC(C)C,"InChI=1/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3",C8H18O,,,,,,SZNYYWIUQFZLLT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.045,211-048-9,628-64-8,2-ethoxyethyl chloroformate,2-ethoxyethyl chlorocarbonate,CCOCCOC(=O)Cl,CCOCCOC(=O)Cl,"InChI=1/C5H9ClO3/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3",C5H9ClO3,,,,,,BAKGFNOISJEFPX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.046,211-049-4,628-68-2,Oxydiethylene di(acetate),"oxydiethane-2,1-diyl diacetate",O=C(C)OCCOCCOC(C)=O,O=C(C)OCCOCCOC(C)=O,"InChI=1/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3",C8H14O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18164,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.046,UBPGILLNMDGSDS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.057,211-062-5,628-94-4,Adipamide,adipamide,NC(=O)CCCCC(=O)N,NC(=O)CCCCC(=O)N,"InChI=1/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)",C6H12N2O2,,,,,,GVNWZKBFMFUVNX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.728,212-900-2,878-23-9,2-bromo-1-ethylpyridinium tetrafluoroborate,2-bromo-1-ethylpyridinium tetrafluoroborate,CC[n+]1ccccc1Br.F[B-](F)(F)F,CC[n+]1ccccc1Br.F[B-](F)(F)F,"InChI=1/C7H9BrN.BF4/c1-2-9-6-4-3-5-7(9)8;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1",C7H9BrN.BF4,,,,,,YJDXVQLBIAJTHP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.729,212-901-8,878-28-4,"Hydroquinone, compound with piperazine (1:1)","benzene-1,4-diol - piperazine (1:1)",Oc1ccc(O)cc1.C2CNCCN2,Oc1ccc(O)cc1.C2CNCCN2,"InChI=1/C6H6O2.C4H10N2/c7-5-1-2-6(8)4-3-5;1-2-6-4-3-5-1/h1-4,7-8H;5-6H,1-4H2",C6H6O2.C4H10N2,,,,,,YFOHQUFTBDUYQO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.730,212-902-3,879-12-9,"1,2,3-trimethylnaphthalene","1,2,3-trimethylnaphthalene",Cc1cc2ccccc2c(C)c1C,Cc1cc2ccccc2c(C)c1C,"InChI=1/C13H14/c1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-8H,1-3H3",C13H14,,,,,,RQHPYGROUIBUSW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.734,212-907-0,879-48-1,Ethyl (aminophenyl)acetate hydrochloride,ethyl (2-aminophenyl)acetate hydrochloride,Cl.CCOC(=O)Cc1ccccc1N,Cl.CCOC(=O)Cc1ccccc1N,"InChI=1/C10H13NO2.ClH/c1-2-13-10(12)7-8-5-3-4-6-9(8)11;/h3-6H,2,7,11H2,1H3;1H",C10H13NO2.ClH,,,,,,QITKMRXHUSYVSD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.735,212-908-6,879-67-4,2-methoxy-p-tolyl acetate,2-methoxy-4-methylphenyl acetate,COc1cc(C)ccc1OC(=O)C,COc1cc(C)ccc1OC(=O)C,"InChI=1/C10H12O3/c1-7-4-5-9(13-8(2)11)10(6-7)12-3/h4-6H,1-3H3",C10H12O3,,,,,,OMYVQMNBUXUYLM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.736,212-909-1,879-72-1,3-(dimethylamino)propiophenone hydrochloride,3-(dimethylamino)-1-phenylpropan-1-one hydrochloride,Cl.CN(C)CCC(=O)c1ccccc1,Cl.CN(C)CCC(=O)c1ccccc1,"InChI=1/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H",C11H15NO.ClH,,,,,,DKNDBIIKSJWQFL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.739,212-912-8,880-29-5,4-ethoxyphenylthiourea,1-(4-ethoxyphenyl)thiourea,CCOc1ccc(NC(=S)N)cc1,CCOc1ccc(NC(=S)N)cc1,"InChI=1/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)",C9H12N2OS,,,,,,QGLYTNIXHPCRCF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.740,212-913-3,880-36-4,2-octylthiophene,2-octylthiophene,CCCCCCCCc1cccs1,CCCCCCCCc1cccs1,"InChI=1/C12H20S/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h8,10-11H,2-7,9H2,1H3",C12H20S,,,,,,GIFWAJGKWIDXMY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.747,212-921-7,881-90-3,2-methyl-4-(phenylmethylene)oxazol-5(4H)-one,"4-benzylidene-2-methyl-1,3-oxazol-5(4H)-one",O=C2OC(\\C)=N/C2=Cc1ccccc1,O=C2OC(\C)=N/C2=Cc1ccccc1,"InChI=1/C11H9NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-7H,1H3",C11H9NO2,,,,,,BWQBTJRPSDVWIR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.750,212-924-3,882-06-4,(E)-p-nitrocinnamic acid,3-(4-nitrophenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(cc1)[N+](=O)[O-],OC(=O)\C=C\c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)",C9H7NO4,,,,,,XMMRNCHTDONGRJ-ZZXKWVIFSA-N,,,,,,,,,,,
100.011.752,212-926-4,882-33-7,Diphenyl disulphide,"1,1'-disulfanediyldibenzene",S(Sc1ccccc1)c2ccccc2,S(Sc1ccccc1)c2ccccc2,InChI=1/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,C12H10S2,,,,,,GUUVPOWQJOLRAS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.031,213-234-5,931-36-2,2-ethyl-4-methylimidazole,2-ethyl-4-methyl-1H-imidazole,CCc1nc(C)c[nH]1,CCc1nc(C)c[nH]1,"InChI=1/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)",C6H10N2,Full,Joint,1+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10303,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.031,ULKLGIFJWFIQFF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.043,213-247-6,932-16-1,2-acetyl-1-methylpyrrole,1-(1-methyl-1H-pyrrol-2-yl)ethanone,CC(=O)c1cccn1C,CC(=O)c1cccn1C,"InChI=1/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3",C7H9NO,,,,,,NZFLWVDXYUGFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.045,213-249-7,932-30-9,2-(aminomethyl)phenol,2-(aminomethyl)phenol,NCc1ccccc1O,NCc1ccccc1O,"InChI=1/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2",C7H9NO,,,,,,KPRZOPQOBJRYSW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.051,213-256-5,932-66-1,Cyclohex-1-enylmethylketone,1-cyclohex-1-en-1-ylethanone,CC(=O)C1=CCCCC1,CC(=O)C1=CCCCC1,"InChI=1/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3",C8H12O,,,,,,LTYLUDGDHUEBGX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.576,210-532-7,617-83-4,Diethylcyanamide,diethylcyanamide,CCN(CC)C#N,CCN(CC)C#N,"InChI=1/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3",C5H10N2,,,,,,ZZTSQZQUWBFTAT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.577,210-533-2,617-84-5,"N,N-diethylformamide","N,N-diethylformamide",CCN(CC)C=O,CCN(CC)C=O,"InChI=1/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3",C5H11NO,,,,,,SUAKHGWARZSWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.579,210-535-3,617-86-7,Triethylsilane,triethylsilane,CC[SiH](CC)CC,CC[SiH](CC)CC,"InChI=1/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3",C6H16Si,,,,,,AQRLNPVMDITEJU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.583,210-540-0,618-03-1,2-aminotoluene-4-sulphonic acid,3-amino-4-methylbenzenesulfonic acid,Cc1ccc(cc1N)S(=O)(=O)O,Cc1ccc(cc1N)S(=O)(=O)O,"InChI=1/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO3S,,,,,,DTNODBHGOLWROS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.584,210-541-6,618-22-4,4-acetamidophenylarsonic acid,(4-acetamidophenyl)arsonic acid,CC(=O)Nc1ccc(cc1)[As](=O)(O)O,CC(=O)Nc1ccc(cc1)[As](=O)(O)O,"InChI=1/C8H10AsNO4/c1-6(11)10-8-4-2-7(3-5-8)9(12,13)14/h2-5H,1H3,(H,10,11)(H2,12,13,14)",C8H10AsNO4,,,,,,LTGKKKITNWDUCD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.589,210-546-3,618-39-3,Phenylamidine,benzenecarboximidamide,NC(=N)c1ccccc1,NC(=N)c1ccccc1,"InChI=1/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)",C7H8N2,,,,,,PXXJHWLDUBFPOL-UHFFFAOYSA-N,Positive,AU216901|AU216902,[M+H]+,CID10|CID20,121.077:122.0801|121.0767:122.0806:104.0492,Athens_Univ,,,,,
100.009.590,210-547-9,618-40-6,1-methyl-1-phenylhydrazine,1-methyl-1-phenylhydrazine,CN(N)c1ccccc1,CN(N)c1ccccc1,"InChI=1/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H3",C7H10N2,,,,,,MWOODERJGVWYJE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.598,210-556-8,618-56-4,"3,5-diaminobenzoic acid dihydrochloride","3,5-diaminobenzoic acid dihydrochloride",Cl.Cl.Nc1cc(N)cc(c1)C(=O)O,Cl.Cl.Nc1cc(N)cc(c1)C(=O)O,"InChI=1/C7H8N2O2.2ClH/c8-5-1-4(7(10)11)2-6(9)3-5;;/h1-3H,8-9H2,(H,10,11);2*1H",C7H8N2O2.2ClH,,,,,,IGPLRBRBTUNCRT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.600,210-558-9,618-65-5,2-(ß-D-glucopyranosyloxy)benzaldehyde,2-formylphenyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2ccccc2C=O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccccc2C=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C13H16O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2",C13H16O7,,,,,,BGOFCVIGEYGEOF-UJPOAAIJSA-N,,,,,,,,,,,
100.009.602,210-561-5,618-73-5,"3,4,5-trihydroxybenzamide","3,4,5-trihydroxybenzamide",NC(=O)c1cc(O)c(O)c(O)c1,NC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12)",C7H7NO4,,,,,,RBQIPEJXQPQFJX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.603,210-562-0,618-76-8,"4-hydroxy-3,5-diiodobenzoic acid","4-hydroxy-3,5-diiodobenzoic acid",OC(=O)c1cc(I)c(O)c(I)c1,OC(=O)c1cc(I)c(O)c(I)c1,"InChI=1/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)",C7H4I2O3,,,,,,XREKTVACBXQCSB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.606,210-565-7,618-83-7,5-hydroxyisophthalic acid,5-hydroxyisophthalic acid,OC(=O)c1cc(O)cc(c1)C(=O)O,OC(=O)c1cc(O)cc(c1)C(=O)O,"InChI=1/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",C8H6O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5325,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.606,QNVNLUSHGRBCLO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.612,210-572-5,618-94-0,3-nitrobenzohydrazide,3-nitrobenzohydrazide,NNC(=O)c1cccc(c1)[N+](=O)[O-],NNC(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)",C7H7N3O3,,,,,,NQEWXLVDAVTOHM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.614,210-574-6,618-98-4,Ethyl 3-nitrobenzoate,ethyl 3-nitrobenzoate,CCOC(=O)c1cccc(c1)[N+](=O)[O-],CCOC(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3",C9H9NO4,,,,,,MKBIJCPQTPFQKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.615,210-575-1,619-01-2,p-menth-8-en-2-ol,5-isopropenyl-2-methylcyclohexanol,CC1CCC(CC1O)C(=C)C,CC1CCC(CC1O)C(=C)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3",C10H18O,,,,,,KRCZYMFUWVJCLI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.616,210-576-7,619-04-5,"3,4-dimethylbenzoic acid","3,4-dimethylbenzoic acid",Cc1ccc(cc1C)C(=O)O,Cc1ccc(cc1C)C(=O)O,"InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)",C9H10O2,,,,,,OPVAJFQBSDUNQA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.463,206-008-2,286-28-2,"1,2-epithiocyclohexane",7-thiabicyclo[4.1.0]heptane,C1CCC2SC2C1,C1CCC2SC2C1,"InChI=1/C6H10S/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2",C6H10S,,,,,,PQWJNIJNYRPOAA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.469,206-015-0,287-27-4,Thietane,thietane,C1CSC1,C1CSC1,InChI=1/C3H6S/c1-2-4-3-1/h1-3H2,C3H6S,,,,,,XSROQCDVUIHRSI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.471,206-017-1,288-13-1,Pyrazole,1H-pyrazole,c1cn[nH]c1,c1cn[nH]c1,"InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",C3H4N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19124,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.471,WTKZEGDFNFYCGP-UHFFFAOYSA-N,Positive,SM815402,[M+H]+,HCD35,69.0448,CASMI_2016,,,,,
100.005.474,206-020-8,288-42-6,Oxazole,"1,3-oxazole",o1ccnc1,o1ccnc1,InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3H,C3H3NO,,,,,,ZCQWOFVYLHDMMC-UHFFFAOYSA-N,Positive,SM809305,[M+H]+,HCD35,70.0288,CASMI_2016,,,,,
100.005.477,206-023-4,288-94-8,1H-tetrazole,1H-tetrazole,c1nnn[nH]1,c1nnn[nH]1,"InChI=1/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)",CH2N4,,,,,,KJUGUADJHNHALS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.587,206-144-2,303-49-1,Clomipramine,"3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13,CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13,"InChI=1/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3",C19H23ClN2,,,,,,GDLIGKIOYRNHDA-UHFFFAOYSA-N,Positive,AU152706;EQ366901|EQ366902|EQ366903|EQ366904|EQ366905|EQ366906|EQ366907|EQ366908|EQ366909,[M+H]+;[M+H]+,CIDRAMP 21.9-32.9;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,86.0966:58.0644:242.0732;315.1624:86.0965:58.065|86.0964:58.0652:315.1625|86.0964:58.0652:242.0733|58.0652:86.0965:242.0733|58.0652:86.0965:227.0499|58.0652:86.0965:227.0499|58.0652:191.0731:192.0809|58.0652:191.0731:165.0701|58.0652:190.0653:163.0544,Athens_Univ;Eawag,,,,,
100.005.591,206-148-4,304-06-3,3-phenylsalicylic acid,2-hydroxybiphenyl-3-carboxylic acid,OC(=O)c1cccc(c1O)c2ccccc2,OC(=O)c1cccc(c1O)c2ccccc2,"InChI=1/C13H10O3/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h1-8,14H,(H,15,16)",C13H10O3,,,,,,ZJWUEJOPKFYFQD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.599,206-157-3,304-84-7,Etamivan,"N,N-diethyl-4-hydroxy-3-methoxybenzamide",CCN(CC)C(=O)c1ccc(O)c(OC)c1,CCN(CC)C(=O)c1ccc(O)c(OC)c1,"InChI=1/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3",C12H17NO3,,,,,,BQJODPIMMWWMFC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.601,206-159-4,304-91-6,2-iodosylbenzoic acid,2-iodosylbenzoic acid,OC(=O)c1ccccc1I=O,OC(=O)c1ccccc1I=O,"InChI=1/C7H5IO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)",C7H5IO3,,,,,,IFPHDUVGLXEIOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.604,206-163-6,305-15-7,"2,5-dichlorophenylhydrazine","(2,5-dichlorophenyl)hydrazine",NNc1cc(Cl)ccc1Cl,NNc1cc(Cl)ccc1Cl,"InChI=1/C6H6Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2",C6H6Cl2N2,,,,,,LZKWWERBNXLGLI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.612,206-172-5,305-96-4,3-hydroxy-a-methyl-3-phenylalanine,3-hydroxy-alpha-methylphenylalanine,CC(N)(Cc1cccc(O)c1)C(=O)O,CC(N)(Cc1cccc(O)c1)C(=O)O,"InChI=1/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)",C10H13NO3,,,,,,CAHPJJJZLQXPKS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.618,206-178-8,306-12-7,Oxophenarsine,2-amino-4-(oxoarsino)phenol,Nc1cc(ccc1O)[As]=O,Nc1cc(ccc1O)[As]=O,"InChI=1/C6H6AsNO2/c8-5-3-4(7-10)1-2-6(5)9/h1-3,9H,8H2",C6H6AsNO2,,,,,,KVGGQNNGLOIZSK-UHFFFAOYSA-N,,,,,,,,,,,
100.005.626,206-187-7,306-60-5,1-(4-aminobutyl)guanidine,1-(4-aminobutyl)guanidine,NCCCCNC(=N)N,NCCCCNC(=N)N,"InChI=1/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)",C5H14N4,,,,,,QYPPJABKJHAVHS-UHFFFAOYSA-N,Positive,AU510701,[M+H]+,CID10,131.1291:114.1029:132.1322,Athens_Univ,,,,,
100.005.627,206-188-2,306-61-6,Magnesium thiocyanate,magnesium bis(thiocyanate),[Mg+2].[S-]C#N.[S-]C#N,[Mg+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Mg/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Mg,,,,,,SXTGAOTXVOMSFW-UHFFFAOYSA-L,,,,,,,,,,,
100.005.630,206-191-9,306-92-3,"1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluorodecahydro-8-(trifluoromethyl)naphthalene","1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)decahydronaphthalene",FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F,"InChI=1/C11F20/c12-1-2(13,6(19,20)10(27,28)9(25,26)4(1,15)16)5(17,18)8(23,24)7(21,22)3(1,14)11(29,30)31",C11F20,,,,,,LWRNQOBXRHWPGE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.636,206-198-7,307-33-5,1-chloroheptadecafluorooctane,"1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,"InChI=1/C8ClF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26",C8ClF17,,,,,,SYVYTZLRTMPUCD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.637,206-199-2,307-34-6,Perfluorooctane,octadecafluorooctane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26",C8F18,,,,,,YVBBRRALBYAZBM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.894,207-582-7,482-54-2,"Cyclohex-1,2-ylenediaminetetra(acetic acid)","2,2',2'',2'''-(cyclohexane-1,2-diyldinitrilo)tetraacetic acid",OC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O,OC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O,"InChI=1/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C14H22N2O8,,,,,,FCKYPQBAHLOOJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.214,212-335-1,790-41-0,Bis(4-chlorobenzoic) anhydride,4-chlorobenzoic anhydride,Clc1ccc(cc1)C(=O)OC(=O)c2ccc(Cl)cc2,Clc1ccc(cc1)C(=O)OC(=O)c2ccc(Cl)cc2,InChI=1/C14H8Cl2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H,C14H8Cl2O3,,,,,,MWUSAETYTBNPDG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.002,213-202-0,929-57-7,"Hexa-1,6-diyl diisocyanide","1,6-diisocyanohexane",[C-]#[N+]CCCCCC[N+]#[C-],[C-]#[N+]CCCCCC[N+]#[C-],InChI=1/C8H12N2/c1-9-7-5-3-4-6-8-10-2/h3-8H2,C8H12N2,,,,,,WJCPMQQLTJQIJK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.008,213-208-3,930-02-9,1-(vinyloxy)octadecane,1-(vinyloxy)octadecane,CCCCCCCCCCCCCCCCCCOC=C,CCCCCCCCCCCCCCCCCCOC=C,"InChI=1/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3",C20H40O,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10250,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.008,QJJDJWUCRAPCOL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.011,213-212-5,930-28-9,Chlorocyclopentane,chlorocyclopentane,ClC1CCCC1,ClC1CCCC1,"InChI=1/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2",C5H9Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16354,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.011,NDTCXABJQNJPCF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.013,213-214-6,930-33-6,"1,2-dihydro-3H-1,2,4-triazol-3-one","1,2-dihydro-3H-1,2,4-triazol-3-one",O=C1NNC=N1,O=C1NNC=N1,"InChI=1/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",C2H3N3O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1635,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.013,LZTSCEYDCZBRCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.015,213-216-7,930-37-0,(methoxymethyl)oxirane,2-(methoxymethyl)oxirane,COCC1CO1,COCC1CO1,"InChI=1/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3",C4H8O2,,,,,,LKMJVFRMDSNFRT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.018,213-219-3,930-60-9,"Cyclopent-4-ene-1,3-dione","cyclopent-4-ene-1,3-dione",O=C1CC(=O)C=C1,O=C1CC(=O)C=C1,"InChI=1/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2",C5H4O2,,,,,,MCFZBCCYOPSZLG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.019,213-220-9,930-61-0,"4,5-dihydro-2,4-dimethyl-1H-imidazole","2,4-dimethyl-4,5-dihydro-1H-imidazole",CC1CNC(=N1)C,CC1CNC(=N1)C,"InChI=1/C5H10N2/c1-4-3-6-5(2)7-4/h4H,3H2,1-2H3,(H,6,7)",C5H10N2,,,,,,DIHAURBCYGTGCV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.024,213-226-1,930-88-1,N-methylmaleimide,"1-methyl-1H-pyrrole-2,5-dione",CN1C(=O)C=CC1=O,CN1C(=O)C=CC1=O,"InChI=1/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3",C5H5NO2,,,,,,SEEYREPSKCQBBF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.029,213-231-9,931-20-4,1-methylpiperidine-2-one,1-methylpiperidin-2-one,CN1CCCCC1=O,CN1CCCCC1=O,"InChI=1/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3",C6H11NO,,,,,,GGYVTHJIUNGKFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.032,213-235-0,931-40-8,"4-hydroxymethyl-1,3-dioxolan-2-one","4-(hydroxymethyl)-1,3-dioxolan-2-one",OCC1COC(=O)O1,OCC1COC(=O)O1,"InChI=1/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2",C4H6O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5622,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.032,JFMGYULNQJPJCY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.033,213-236-6,931-48-6,Ethynylcyclohexane,ethynylcyclohexane,C#CC1CCCCC1,C#CC1CCCCC1,"InChI=1/C8H12/c1-2-8-6-4-3-5-7-8/h1,8H,3-7H2",C8H12,,,,,,SSDZYLQUYMOSAK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.034,213-237-1,931-51-1,Chlorocyclohexylmagnesium,chloro(cyclohexyl)magnesium,Cl[Mg]C1CCCCC1,Cl[Mg]C1CCCCC1,"InChI=1/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q;;+1/p-1/rC6H11ClMg/c7-8-6-4-2-1-3-5-6/h6H,1-5H2",C6H11ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16496,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.034,WMJMABVHDMRMJA-UHFFFAOYSA-M,,,,,,,,,,,
100.012.048,213-252-3,932-52-5,5-aminouracil,"5-aminopyrimidine-2,4(1H,3H)-dione",NC1=CNC(=O)NC1=O,NC1=CNC(=O)NC1=O,"InChI=1/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)",C4H5N3O2,,,,,,BISHACNKZIBDFM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.049,213-253-9,932-53-6,"6-methyl-1,2,4-triazine-3,5-diol","6-methyl-1,2,4-triazine-3,5-diol",Cc1nnc(O)nc1O,Cc1nnc(O)nc1O,"InChI=1/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)",C4H5N3O2,,,,,,XZWMZFQOHTWGQE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.050,213-254-4,932-64-9,"1,2-dihydro-5-nitro-3H-1,2,4-triazol-3-one","5-nitro-1,2-dihydro-3H-1,2,4-triazol-3-one",[O-][N+](=O)C1=NC(=O)NN1,[O-][N+](=O)C1=NC(=O)NN1,"InChI=1/C2H2N4O3/c7-2-3-1(4-5-2)6(8)9/h(H2,3,4,5,7)",C2H2N4O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5380,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.050,QJTIRVUEVSKJTK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.582,210-539-5,617-94-7,2-phenylpropan-2-ol,2-phenylpropan-2-ol,CC(C)(O)c1ccccc1,CC(C)(O)c1ccccc1,"InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3",C9H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10103,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.582,BDCFWIDZNLCTMF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.588,210-545-8,618-36-0,DL-a-methylbenzylamine,1-phenylethanamine,CC(N)c1ccccc1,CC(N)c1ccccc1,"InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3",C8H11N,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11009,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.588,RQEUFEKYXDPUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.594,210-552-6,618-46-2,3-chlorobenzoyl chloride,3-chlorobenzoyl chloride,ClC(=O)c1cccc(Cl)c1,ClC(=O)c1cccc(Cl)c1,InChI=1/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,C7H4Cl2O,,,,,,WHIHIKVIWVIIER-UHFFFAOYSA-N,,,,,,,,,,,
100.009.595,210-553-1,618-47-3,m-toluamide,3-methylbenzamide,Cc1cccc(c1)C(=O)N,Cc1cccc(c1)C(=O)N,"InChI=1/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)",C8H9NO,,,,,,WGRPQCFFBRDZFV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.599,210-557-3,618-62-2,"3,5-dichloronitrobenzene","1,3-dichloro-5-nitrobenzene",[O-][N+](=O)c1cc(Cl)cc(Cl)c1,[O-][N+](=O)c1cc(Cl)cc(Cl)c1,InChI=1/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,C6H3Cl2NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10408,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.599,RNABGKOKSBUFHW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.758,212-933-2,883-80-7,3-(tert-butyl)-1-methylnaphthalene,3-tert-butyl-1-methylnaphthalene,Cc1cc(cc2ccccc12)C(C)(C)C,Cc1cc(cc2ccccc12)C(C)(C)C,"InChI=1/C15H18/c1-11-9-13(15(2,3)4)10-12-7-5-6-8-14(11)12/h5-10H,1-4H3",C15H18,,,,,,IRMNGEAZYAGNMC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.767,212-943-7,885-62-1,"Sodium 2,4-dinitrobenzenesulphonate","sodium 2,4-dinitrobenzenesulfonate",[Na+].[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H4N2O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);/q;+1/p-1",C6H4N2O7S.Na,,,,,,GSBYVRKLPCSLNV-UHFFFAOYSA-M,,,,,,,,,,,
100.011.772,212-948-4,886-38-4,"2,3-diphenylcycloprop-2-en-1-one","2,3-diphenylcycloprop-2-en-1-one",O=C1C(=C1c2ccccc2)c3ccccc3,O=C1C(=C1c2ccccc2)c3ccccc3,InChI=1/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H,C15H10O,,,,,,HCIBTBXNLVOFER-UHFFFAOYSA-N,,,,,,,,,,,
100.011.773,212-950-5,886-50-0,Terbutryn,"N-tert-butyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CCNc1nc(NC(C)(C)C)nc(SC)n1,CCNc1nc(NC(C)(C)C)nc(SC)n1,"InChI=1/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",C10H19N5S,,,,,,IROINLKCQGIITA-UHFFFAOYSA-N,Positive,SM879401;EA030601|EA030602|EA030603|EA030604|EA030605|EA030606|EA030607|EA030608|EA030609|EA030610|EA030611|EA030612|EA030613|EA030614,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,186.0808:242.1434:91.0324;186.081:171.0572:242.1429|242.1436:186.0827:227.119|242.1437:186.0809|186.081:242.144:91.0324|186.0811:91.0326:138.0776|186.0811:91.0325:68.0243|68.0244:96.0557:91.0325|242.1435:186.0812:227.1205|242.1435:186.0809:227.1197|186.0808:242.1434:91.0325|186.0809:91.0325:158.0495|186.0809:91.0325:68.0243|68.0243:91.0324:96.0556|186.0809:171.0572:242.1431,CASMI_2016;Eawag,,,,,
100.011.774,212-951-0,886-60-2,1-phenyl-3-(2-pyridyl)thiourea,1-phenyl-3-pyridin-2-ylthiourea,S=C(Nc1ccccc1)Nc2ccccn2,S=C(Nc1ccccc1)Nc2ccccn2,"InChI=1/C12H11N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)",C12H11N3S,,,,,,JFHXWMRFXORESD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.775,212-952-6,886-65-7,"1,4-diphenylbuta-1,3-diene","1,1'-buta-1,3-diene-1,4-diyldibenzene",C(C=Cc1ccccc1)=Cc2ccccc2,C(C=Cc1ccccc1)=Cc2ccccc2,InChI=1/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H,C16H14,,,,,,JFLKFZNIIQFQBS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.630,213-892-3,1057-84-7,10-[3-(dimethylammonio)-2-methylpropyl]-2-(methylthio)-10H-phenothiazinium maleate,10-[3-(dimethylammonio)-2-methylpropyl]-2-(methylsulfanyl)-10H-phenothiazin-10-ium but-2-enedioate,CSc1ccc2Sc3ccccc3[NH+](CC(C)C[NH+](C)C)c2c1.[O-]C(=O)\\C=C/C(=O)[O-],CSc1ccc2Sc3ccccc3[NH+](CC(C)C[NH+](C)C)c2c1.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C19H24N2S2.C4H4O4/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,14H,12-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)",C19H24N2S2.C4H4O4,,,,,,RWHQUYWVERCNEK-BTJKTKAUSA-N,,,,,,,,,,,
100.012.632,213-894-4,1058-92-0,"Disodium 3-(5-chloro-2-hydroxyphenylazo)-4,5-dihydroxynaphthalene-2,7-disulphonate","disodium 3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc3ccc(Cl)cc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc3ccc(Cl)cc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H11ClN2O9S2.2Na/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22;;/h1-6,20-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C16H11ClN2O9S2.2Na,,,,,,LNXMADNIUWFTPP-UHFFFAOYSA-L,,,,,,,,,,,
100.012.638,213-901-0,1063-92-9,"1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl]naphtho[1,2-d]thiazolium chloride","1-methyl-2-[3-(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-2-phenylprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium chloride",[Cl-].C[n+]5c6c7ccccc7ccc6sc5C=C(C=C3Sc2ccc1ccccc1c2N3C)c4ccccc4,[Cl-].C[n+]5c6c7ccccc7ccc6sc5C=C(C=C3Sc2ccc1ccccc1c2N3C)c4ccccc4,"InChI=1/C33H25N2S2.ClH/c1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31;/h3-21H,1-2H3;1H/q+1;/p-1",C33H25N2S2.Cl,,,,,,XSTCLOARHMMPHE-UHFFFAOYSA-M,,,,,,,,,,,
100.012.639,213-902-6,1064-10-4,Hexaphenyldistannane,hexaphenyldistannane,c1ccc(cc1)[Sn](c2ccccc2)(c3ccccc3)[Sn](c4ccccc4)(c5ccccc5)c6ccccc6,c1ccc(cc1)[Sn](c2ccccc2)(c3ccccc3)[Sn](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/6C6H5.2Sn/c6*1-2-4-6-5-3-1;;/h6*1-5H;;/rC36H30Sn2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",C36H30Sn2,,,,,,UAPQJVJCJITJET-UHFFFAOYSA-N,,,,,,,,,,,
100.012.641,213-904-7,1065-80-1,"Hexabenzo[a,d,g,j,m,p]coronene","trinaphtho[1,2,3,4-fgh:1',2',3',4'-pqr:1'',2'',3'',4''-za_1_b_1_]trinaphthylene",c1ccc2c(c1)c3c4ccccc4c5c6ccccc6c7c8ccccc8c9c%10ccccc%10c%11c%12ccccc%12c2c%13c%11c9c7c5c3%13,c1ccc2c(c1)c3c4ccccc4c5c6ccccc6c7c8ccccc8c9c%10ccccc%10c%11c%12ccccc%12c2c%13c%11c9c7c5c3%13,InChI=1/C48H24/c1-2-14-26-25(13-1)37-27-15-3-4-16-28(27)39-31-19-7-8-20-32(31)41-34-22-10-12-24-36(34)42-35-23-11-9-21-33(35)40-30-18-6-5-17-29(30)38(26)44-43(37)45(39)47(41)48(42)46(40)44/h1-24H,C48H24,,,,,,XHJPOZDMDBETDO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.649,213-913-6,1066-37-1,Bromotrimethylgermane,bromo(trimethyl)germane,C[Ge](C)(C)Br,C[Ge](C)(C)Br,"InChI=1/C3H9BrGe/c1-5(2,3)4/h1-3H3",C3H9BrGe,,,,,,WMFCXPWEKRAKMH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.650,213-914-1,1066-40-6,Hydroxytrimethylsilane,trimethylsilanol,C[Si](C)(C)O,C[Si](C)(C)O,"InChI=1/C3H10OSi/c1-5(2,3)4/h4H,1-3H3",C3H10OSi,,,,,,AAPLIUHOKVUFCC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.652,213-916-2,1066-44-0,Bromotrimethylstannane,bromo(trimethyl)stannane,C[Sn](C)(C)Br,C[Sn](C)(C)Br,"InChI=1/3CH3.BrH.Sn/h3*1H3;1H;/q;;;;+1/p-1/rC3H9BrSn/c1-5(2,3)4/h1-3H3",C3H9BrSn,,,,,,MZGUIAFRJWSYJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.009.620,210-580-9,619-14-7,3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitrobenzoic acid,OC(=O)c1ccc(c(O)c1)[N+](=O)[O-],OC(=O)c1ccc(c(O)c1)[N+](=O)[O-],"InChI=1/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)",C7H5NO5,,,,,,XLDLRRGZWIEEHT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.624,210-585-6,619-21-6,3-formylbenzoic acid,3-formylbenzoic acid,OC(=O)c1cccc(C=O)c1,OC(=O)c1cccc(C=O)c1,"InChI=1/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)",C8H6O3,,,,,,UHDNUPHSDMOGCR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.626,211-687-3,686-31-7,tert-pentyl 2-ethylperoxyhexanoate,"1,1-dimethylpropyl 2-(ethylperoxy)hexanoate",CCCCC(OOCC)C(=O)OC(C)(C)CC,CCCCC(OOCC)C(=O)OC(C)(C)CC,"InChI=1/C13H26O4/c1-6-9-10-11(17-15-8-3)12(14)16-13(4,5)7-2/h11H,6-10H2,1-5H3",C13H26O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10648,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.626,QCMBTAMIQLKWNT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.630,211-692-0,687-38-7,N-glycyl-DL-serine,glycyl-L-serine,NCC(=O)N[C@@H](CO)C(=O)O,NCC(=O)N[C@@H](CO)C(=O)O,"InChI=1/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)",C5H10N2O4,,,,,,BCCRXDTUTZHDEU-VKHMYHEASA-N,,,,,,,,,,,
100.010.443,211-486-0,652-24-4,(pentafluorophenyl)glycolic acid,hydroxy(pentafluorophenyl)acetic acid,OC(C(=O)O)c1c(F)c(F)c(F)c(F)c1F,OC(C(=O)O)c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C8H3F5O3/c9-2-1(7(14)8(15)16)3(10)5(12)6(13)4(2)11/h7,14H,(H,15,16)",C8H3F5O3,,,,,,GGQAKKRNFCXRFB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.447,211-490-2,652-37-9,Theophyllin-7-ylacetic acid,"(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid",CN1C(=O)N(C)c2ncn(CC(=O)O)c2C1=O,CN1C(=O)N(C)c2ncn(CC(=O)O)c2C1=O,"InChI=1/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)",C9H10N4O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6269,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.447,HCYFGRCYSCXKNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.451,211-494-4,653-11-2,"2,3,5,6-tetrafluorophenylhydrazine","(2,3,5,6-tetrafluorophenyl)hydrazine",NNc1c(F)c(F)cc(F)c1F,NNc1c(F)c(F)cc(F)c1F,"InChI=1/C6H4F4N2/c7-2-1-3(8)5(10)6(12-11)4(2)9/h1,12H,11H2",C6H4F4N2,,,,,,TYMFVEOXNZYYTF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.455,211-499-1,653-31-6,"2,3,4,5,6-pentafluorophenethyl alcohol",2-(pentafluorophenyl)ethanol,OCCc1c(F)c(F)c(F)c(F)c1F,OCCc1c(F)c(F)c(F)c(F)c1F,"InChI=1/C8H5F5O/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h14H,1-2H2",C8H5F5O,,,,,,UBDFNSASHPESJX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.467,211-512-0,655-86-7,"Phenazine-2,3-diyldiamine","phenazine-2,3-diamine",Nc1cc2nc3ccccc3nc2cc1N,Nc1cc2nc3ccccc3nc2cc1N,"InChI=1/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2",C12H10N4,,,,,,VZPGINJWPPHRLS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.469,211-514-1,656-35-9,"(2,4-difluorophenyl)acetonitrile","(2,4-difluorophenyl)acetonitrile",Fc1ccc(CC#N)c(F)c1,Fc1ccc(CC#N)c(F)c1,"InChI=1/C8H5F2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2",C8H5F2N,,,,,,AGAOESUOSOGZOD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.471,211-516-2,657-15-8,"2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-one","2,2,2-trifluoro-1-(3-nitrophenyl)ethanone",[O-][N+](=O)c1cccc(c1)C(=O)C(F)(F)F,[O-][N+](=O)c1cccc(c1)C(=O)C(F)(F)F,"InChI=1/C8H4F3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4H",C8H4F3NO3,,,,,,QADCNGZPRUSTJL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.474,211-519-9,657-27-2,Lysine hydrochloride,lysine hydrochloride,Cl.NCCCCC(N)C(=O)O,Cl.NCCCCC(N)C(=O)O,"InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H",C6H14N2O2.ClH,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12220,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.474,BVHLGVCQOALMSV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.480,211-526-7,658-90-2,3-(trifluoromethoxy)benzoyl fluoride,3-(trifluoromethoxy)benzoyl fluoride,FC(=O)c1cccc(OC(F)(F)F)c1,FC(=O)c1cccc(OC(F)(F)F)c1,"InChI=1/C8H4F4O2/c9-7(13)5-2-1-3-6(4-5)14-8(10,11)12/h1-4H",C8H4F4O2,,,,,,XRRBDBIQJMJLJV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.483,211-529-3,659-04-1,Methyl (E)-m-nitrocinnamate,methyl 3-(3-nitrophenyl)acrylate,COC(=O)\\C=C\\c1cccc(c1)[N+](=O)[O-],COC(=O)\C=C\c1cccc(c1)[N+](=O)[O-],"InChI=1/C10H9NO4/c1-15-10(12)6-5-8-3-2-4-9(7-8)11(13)14/h2-7H,1H3",C10H9NO4,,,,,,DKQXESBKFCYESZ-AATRIKPKSA-N,,,,,,,,,,,
100.010.484,211-530-9,659-22-3,"Stilbene-4,4'-diol","4,4'-ethene-1,2-diyldiphenol",Oc1ccc(\\C=C\\c2ccc(O)cc2)cc1,Oc1ccc(\C=C\c2ccc(O)cc2)cc1,"InChI=1/C14H12O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H",C14H12O2,,,,,,XLAIWHIOIFKLEO-OWOJBTEDSA-N,,,,,,,,,,,
100.010.487,211-534-0,659-41-6,p-fluorobenzylamine hydrochloride,1-(4-fluorophenyl)methanamine hydrochloride,Cl.NCc1ccc(F)cc1,Cl.NCc1ccc(F)cc1,"InChI=1/C7H8FN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H",C7H8FN.ClH,,,,,,TXMNQIDABVFSRY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.221,212-343-5,793-19-1,Methyl N-benzyl-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-(benzylimino)dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)Cc1ccccc1,COC(=O)CCN(CCC(=O)OC)Cc1ccccc1,"InChI=1/C15H21NO4/c1-19-14(17)8-10-16(11-9-15(18)20-2)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3",C15H21NO4,,,,,,KPRYGTMLHJYBFC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.897,207-585-3,482-76-8,"a-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline-1-methanol","(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanol",COc1ccc(cc1OC)C(O)c2nccc3cc(OC)c(OC)cc23,COc1ccc(cc1OC)C(O)c2nccc3cc(OC)c(OC)cc23,"InChI=1/C20H21NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11,20,22H,1-4H3",C20H21NO5,,,,,,JJZIJKXUHDFVGX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.898,207-586-9,482-89-3,"2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one","2,2'-biindole-3,3'(1H,1'H)-dione",O=C3c4ccccc4NC3=C2Nc1ccccc1C2=O,O=C3c4ccccc4NC3=C2Nc1ccccc1C2=O,"InChI=1/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H",C16H10N2O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14413,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.898,COHYTHOBJLSHDF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.904,207-593-7,483-20-5,"2-(1,3-dihydro-3-oxo-5-sulpho-2H-indol-2-ylidene)-3-oxoindoline-5-sulphonic acid","3,3'-dioxo-1,1',3,3'-tetrahydro-2,2'-biindole-5,5'-disulfonic acid",OS(=O)(=O)c1cc2C(=O)C(Nc2cc1)=C4Nc3ccc(cc3C4=O)S(O)(=O)=O,OS(=O)(=O)c1cc2C(=O)C(Nc2cc1)=C4Nc3ccc(cc3C4=O)S(O)(=O)=O,"InChI=1/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)",C16H10N2O8S2,,,,,,CFZXDJWFRVEWSR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.907,207-596-3,483-63-6,Crotamiton,N-ethyl-N-(2-methylphenyl)but-2-enamide,Cc1ccccc1N(CC)C(=O)C=CC,Cc1ccccc1N(CC)C(=O)C=CC,"InChI=1/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3",C13H17NO,,,,,,DNTGGZPQPQTDQF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.910,207-600-3,483-84-1,"8-hydroxy-5,7-dinitronaphthalene-2-sulphonic acid","8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid",Oc1c(cc(c2ccc(cc12)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],Oc1c(cc(c2ccc(cc12)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H6N2O8S/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17/h1-4,13H,(H,18,19,20)",C10H6N2O8S,,,,,,FCQJEPASRCXVCB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.914,207-605-0,484-23-1,Dihydralazine,"1,4-bis(hydrazino)phthalazine",NNc1nnc(NN)c2ccccc12,NNc1nnc(NN)c2ccccc12,"InChI=1/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)",C8H10N6,,,,,,VQKLRVZQQYVIJW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.918,207-609-2,484-66-2,"2,3,4,5,6-pentamethylbenzyl alcohol",(pentamethylphenyl)methanol,Cc1c(C)c(C)c(CO)c(C)c1C,Cc1c(C)c(C)c(CO)c(C)c1C,"InChI=1/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3",C12H18O,,,,,,CMBCAWNOBIGGTE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.919,207-610-8,484-93-5,Ecgonidine,8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid,OC(=O)C1=CC[C@@H]2CC[C@H]1N2,OC(=O)C1=CC[C@@H]2CC[C@H]1N2,"InChI=1/C8H11NO2/c10-8(11)6-3-1-5-2-4-7(6)9-5/h3,5,7,9H,1-2,4H2,(H,10,11)",C9H13NO2,,,,,,ZAZOGAHQAWUCJK-IYSWYEEDSA-N,,,,,,,,,,,
100.006.921,207-612-9,485-31-4,Binapacryl,"2-sec-butyl-4,6-dinitrophenyl 3-methylbut-2-enoate",CCC(C)c1cc(cc(c1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-],CCC(C)c1cc(cc(c1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3",C15H18N2O6,,,,,,ZRDUSMYWDRPZRM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.923,207-615-5,485-34-7,Neocinchophen,ethyl 6-methyl-2-phenylquinoline-4-carboxylate,CCOC(=O)c1cc(nc2ccc(C)cc12)c3ccccc3,CCOC(=O)c1cc(nc2ccc(C)cc12)c3ccccc3,"InChI=1/C19H17NO2/c1-3-22-19(21)16-12-18(14-7-5-4-6-8-14)20-17-10-9-13(2)11-15(16)17/h4-12H,3H2,1-2H3",C19H17NO2,,,,,,BUDBHJPMAKXMLD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.933,207-626-5,485-91-6,"5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl[1,3]benzodioxolo[5,6-e][2]benzazecin-14(6H)-one","3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one",COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC,COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC,"InChI=1/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3",C21H23NO5,,,,,,HYBRYAPKQCZIAE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.934,207-627-0,486-12-4,Triprolidine,2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-en-1-yl]pyridine,Cc1ccc(cc1)C(c2ccccn2)=CCN3CCCC3,Cc1ccc(cc1)C(c2ccccn2)=CCN3CCCC3,"InChI=1/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3",C19H22N2,,,,,,CBEQULMOCCWAQT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.935,207-628-6,486-16-8,Carbinoxamine,"2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]-N,N-dimethylethanamine",CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2,CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2,"InChI=1/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3",C16H19ClN2O,,,,,,OJFSXZCBGQGRNV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.938,207-631-2,486-34-0,"1,2,7-trimethylnaphthalene","1,2,7-trimethylnaphthalene",Cc1ccc2ccc(C)c(C)c2c1,Cc1ccc2ccc(C)c(C)c2c1,"InChI=1/C13H14/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9/h4-8H,1-3H3",C13H14,,,,,,FXPNJTQSNLVWST-UHFFFAOYSA-N,,,,,,,,,,,
100.006.940,207-633-3,486-47-5,Ethaverine,"1-(3,4-diethoxybenzyl)-6,7-diethoxyisoquinoline",CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC,"InChI=1/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3",C24H29NO4,,,,,,ZOWYFYXTIWQBEP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.601,210-559-4,618-71-3,"Ethyl 3,5-dinitrobenzoate","ethyl 3,5-dinitrobenzoate",CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3",C9H8N2O6,,,,,,IBQREHJPMPCXQA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.604,210-563-6,618-80-4,"2,6-dichloro-4-nitrophenol","2,6-dichloro-4-nitrophenol",Oc1c(Cl)cc(cc1Cl)[N+](=O)[O-],Oc1c(Cl)cc(cc1Cl)[N+](=O)[O-],"InChI=1/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H",C6H3Cl2NO3,,,,,,PXSGFTWBZNPNIC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.607,210-566-2,618-85-9,"3,5-dinitrotoluene","1-methyl-3,5-dinitrobenzene",Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3",C7H6N2O4,,,,,,RUIFULUFLANOCI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.609,210-568-3,618-88-2,5-nitroisophthalic acid,5-nitroisophthalic acid,OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,"InChI=1/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)",C8H5NO6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16069,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.609,NBDAHKQJXVLAID-UHFFFAOYSA-N,,,,,,,,,,,
100.009.610,210-569-9,618-89-3,Methyl 3-bromobenzoate,methyl 3-bromobenzoate,COC(=O)c1cccc(Br)c1,COC(=O)c1cccc(Br)c1,"InChI=1/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3",C8H7BrO2,,,,,,KMFJVYMFCAIRAN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.611,210-570-4,618-91-7,Methyl 3-iodobenzoate,methyl 3-iodobenzoate,COC(=O)c1cccc(I)c1,COC(=O)c1cccc(I)c1,"InChI=1/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3",C8H7IO2,,,,,,NPXOIGSBRLCOSD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.619,210-579-3,619-10-3,2-chloro-5-nitrophenol,2-chloro-5-nitrophenol,Oc1cc(ccc1Cl)[N+](=O)[O-],Oc1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C6H4ClNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H",C6H4ClNO3,,,,,,BUMGQSCPTLELLS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.623,210-584-0,619-19-2,4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,OC(=O)c1ccc(cc1O)[N+](=O)[O-],OC(=O)c1ccc(cc1O)[N+](=O)[O-],"InChI=1/C7H5NO5/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)",C7H5NO5,,,,,,UKWUOTZGXIZAJC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.438,211-480-8,651-06-9,Sulfametoxydiazine,4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,"InChI=1/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",C11H12N4O3S,,,,,,GPTONYMQFTZPKC-UHFFFAOYSA-N,Positive,AU102501,[M+H]+,CID20.9-31.4,156.0116:281.0719:126.0664,Athens_Univ,,,,,
100.010.439,211-481-3,651-36-5,1-(trichloromethyl)-2-(trifluoromethyl)benzene,1-(trichloromethyl)-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1C(Cl)(Cl)Cl,FC(F)(F)c1ccccc1C(Cl)(Cl)Cl,"InChI=1/C8H4Cl3F3/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H",C8H4Cl3F3,,,,,,VDEUYVGUNSJXAE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.441,211-483-4,652-03-9,"3,4,5,6-tetrafluorophthalic acid","3,4,5,6-tetrafluorophthalic acid",OC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O,OC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)O,"InChI=1/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)",C8H2F4O4,,,,,,YJLVXRPNNDKMMO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.454,211-498-6,653-30-5,(pentafluorophenyl)acetonitrile,(pentafluorophenyl)acetonitrile,Fc1c(F)c(F)c(CC#N)c(F)c1F,Fc1c(F)c(F)c(CC#N)c(F)c1F,InChI=1/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2,C8H2F5N,,,,,,YDNOJUAQBFXZCR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.460,211-504-7,654-01-3,"(2,6-difluorophenyl)acetonitrile","(2,6-difluorophenyl)acetonitrile",Fc1cccc(F)c1CC#N,Fc1cccc(F)c1CC#N,"InChI=1/C8H5F2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2",C8H5F2N,,,,,,GVAYBGQTAADLJS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.463,211-507-3,654-76-2,4-nitro-2-(trifluoromethyl)anisole,1-methoxy-4-nitro-2-(trifluoromethyl)benzene,COc1ccc(cc1C(F)(F)F)[N+](=O)[O-],COc1ccc(cc1C(F)(F)F)[N+](=O)[O-],"InChI=1/C8H6F3NO3/c1-15-7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3",C8H6F3NO3,,,,,,KGFADEJSZXEVMC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.466,211-511-5,655-35-6,Ethyl [[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy]acetate hydrochloride,ethyl ({3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-chromen-7-yl}oxy)acetate hydrochloride,Cl.CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1)C,Cl.CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1)C,"InChI=1/C20H27NO5.ClH/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3;/h8-9,12H,5-7,10-11,13H2,1-4H3;1H",C20H27NO5.ClH,,,,,,KSQIAZKOUOEHSA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.470,211-515-7,656-53-1,2-(4-methylthiazol-5-yl)ethyl acetate,"2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate",CC(=O)OCCc1scnc1C,CC(=O)OCCc1scnc1C,"InChI=1/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3",C8H11NO2S,,,,,,CRTCWNPLKVVXIX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.485,211-531-4,659-28-9,p-(trifluoromethoxy)benzaldehyde,4-(trifluoromethoxy)benzaldehyde,FC(F)(F)Oc1ccc(C=O)cc1,FC(F)(F)Oc1ccc(C=O)cc1,"InChI=1/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H",C8H5F3O2,,,,,,XQNVDQZWOBPLQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.657,213-922-5,1066-97-3,"Ammonium O,O-dimethyl dithiophosphate","ammonium O,O-dimethyl dithiophosphate",[NH4+].COP(=S)([S-])OC,[NH4+].COP(=S)([S-])OC,"InChI=1/C2H7O2PS2.H3N/c1-3-5(6,7)4-2;/h1-2H3,(H,6,7);1H3",C2H7O2PS2.H3N,,,,,,PPGORMGERPBFTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.664,213-929-3,1067-42-1,Tetrabutylgermanium,tetrabutylgermane,CCCC[Ge+](CCCC)(CCCC)CCCC,CCCC[Ge+](CCCC)(CCCC)CCCC,"InChI=1/C16H36Ge/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C16H36Ge,,,,,,BMHPMXJZSYJGSG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.666,213-931-4,1067-47-6,4-(triethoxysilyl)butyronitrile,4-(triethoxysilyl)butanenitrile,CCO[Si](CCCC#N)(OCC)OCC,CCO[Si](CCCC#N)(OCC)OCC,"InChI=1/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3",C10H21NO3Si,,,,,,VGIURMCNTDVGJM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.669,213-935-6,1067-55-6,Dibutyldimethoxystannane,dibutyl(dimethoxy)stannane,CCCC[Sn](CCCC)(OC)OC,CCCC[Sn](CCCC)(OC)OC,"InChI=1/2C4H9.2CH3O.Sn/c2*1-3-4-2;2*1-2;/h2*1,3-4H2,2H3;2*1H3;/q;;2*-1;+2/rC10H24O2Sn/c1-5-7-9-13(11-3,12-4)10-8-6-2/h5-10H2,1-4H3",C10H24O2Sn,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12047,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.669,ZXDVQYBUEVYUCG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.675,213-941-9,1068-07-1,Diethyl octylphosphonate,diethyl octylphosphonate,CCCCCCCCP(=O)(OCC)OCC,CCCCCCCCP(=O)(OCC)OCC,"InChI=1/C12H27O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h4-12H2,1-3H3",C12H27O3P,,,,,,MVDVRXOWIPONFY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.465,213-711-8,1003-64-1,Ethylidenecyclohexane,ethylidenecyclohexane,CC=C1CCCCC1,CC=C1CCCCC1,"InChI=1/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3",C8H14,,,,,,BPBOWYWUOUJKLO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.470,213-717-0,1003-90-3,"2,3,4,5-tetramethyl-1H-pyrrole","2,3,4,5-tetramethyl-1H-pyrrole",Cc1[nH]c(C)c(C)c1C,Cc1[nH]c(C)c(C)c1C,"InChI=1/C8H13N/c1-5-6(2)8(4)9-7(5)3/h9H,1-4H3",C8H13N,,,,,,BDXJANJAHYKTMI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.475,213-722-8,1004-40-6,6-amino-2-thiouracil hydrate,"6-amino-2-thioxo-2,5-dihydropyrimidin-4(3H)-one",NC1=NC(=S)NC(=O)C1,NC1=NC(=S)NC(=O)C1,"InChI=1/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)",C4H5N3OS,,,,,,MXSAOUYLOGZLEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.477,213-724-9,1004-74-6,"2,4,5,6-tetraaminopyrimidine sulphate monohydrate","pyrimidine-2,4,5,6-tetramine sulfate hydrate",O.Nc1nc(N)c(N)c(N)n1.OS(=O)(=O)O,O.Nc1nc(N)c(N)c(N)n1.OS(=O)(=O)O,"InChI=1/C4H8N6.H2O4S.H2O/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4;/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4);1H2",C4H8N6,,,,,,VARLAZJEGFQKCS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.482,213-730-1,1004-96-2,Methyl 3-methylisoxazole-5-carboxylate,methyl 3-methylisoxazole-5-carboxylate,COC(=O)c1onc(C)c1,COC(=O)c1onc(C)c1,"InChI=1/C6H7NO3/c1-4-3-5(10-7-4)6(8)9-2/h3H,1-2H3",C6H7NO3,,,,,,MBRNUSBFRMCWIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.485,213-733-8,1005-35-2,(p-hydroxyphenyl)dimethylsulphonium chloride,(4-hydroxyphenyl)(dimethyl)sulfonium chloride,[Cl-].C[S+](C)c1ccc(O)cc1,[Cl-].C[S+](C)c1ccc(O)cc1,"InChI=1/C8H10OS.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,1-2H3;1H",C8H11OS.Cl,,,,,,UXWDJTXZHNODLR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.490,213-739-0,1005-69-2,"2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane","2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphinane",COP1OCC(C)(C)CO1,COP1OCC(C)(C)CO1,"InChI=1/C6H13O3P/c1-6(2)4-8-10(7-3)9-5-6/h4-5H2,1-3H3",C6H13O3P,,,,,,YXFJCUOSUYSZNS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.492,213-741-1,1006-21-9,"1,3-dihydro-6-methylfuro[3,4-c]pyridin-7-ol hydrochloride","6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol hydrochloride",Cl.Cc1ncc2COCc2c1O,Cl.Cc1ncc2COCc2c1O,"InChI=1/C8H9NO2.ClH/c1-5-8(10)7-4-11-3-6(7)2-9-5;/h2,10H,3-4H2,1H3;1H",C8H9NO2.ClH,,,,,,RTYSWYUCXGLWNW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.494,213-743-2,1006-27-5,Indan-1-yl methyl ether,1-methoxyindane,COC1CCc2ccccc12,COC1CCc2ccccc12,"InChI=1/C10H12O/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3",C10H12O,,,,,,OOXOWBLOFXAPBK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.495,213-744-8,1006-59-3,"2,6-diethylphenol","2,6-diethylphenol",CCc1cccc(CC)c1O,CCc1cccc(CC)c1O,"InChI=1/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3",C10H14O,,,,,,METWAQRCMRWDAW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.497,213-746-9,1006-99-1,5-chloro-2-methylbenzothiazole,"5-chloro-2-methyl-1,3-benzothiazole",Cc1nc2cc(Cl)ccc2s1,Cc1nc2cc(Cl)ccc2s1,"InChI=1/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3",C8H6ClNS,,,,,,XCALAYIRFYALSX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.498,213-747-4,1007-01-8,Norborn-2-ylacetic acid,bicyclo[2.2.1]hept-2-ylacetic acid,OC(=O)CC1CC2CCC1C2,OC(=O)CC1CC2CCC1C2,"InChI=1/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)",C9H14O2,,,,,,FYHBMPWRHCWNBC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.384,214-722-0,1190-49-4,L-homocitrulline,N~6~-carbamoyllysine,NC(CCCCNC(=O)N)C(=O)O,NC(CCCCNC(=O)N)C(=O)O,"InChI=1/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)",C7H15N3O3,,,,,,XIGSAGMEBXLVJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.222,212-344-0,793-24-8,"N-1,3-dimethylbutyl-N'-phenyl-p-phenylenediamine","N-(1,3-dimethylbutyl)-N'-phenylbenzene-1,4-diamine",CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1,CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3",C18H24N2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15367,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.222,ZZMVLMVFYMGSMY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.225,212-347-7,795-43-7,"p,p'-(phenylphosphinylidene)bisphenol","4,4'-(phenylphosphoryl)diphenol",Oc1ccc(cc1)P(=O)(c2ccccc2)c3ccc(O)cc3,Oc1ccc(cc1)P(=O)(c2ccccc2)c3ccc(O)cc3,"InChI=1/C18H15O3P/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13,19-20H",C18H15O3P,,,,,,FYXPKOPFEGFWHG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.238,212-361-3,807-28-3,"1,3-dimethyl-1,1,3,3-tetraphenyldisiloxane","1,3-dimethyl-1,1,3,3-tetraphenyldisiloxane",C[Si](O[Si](C)(c1ccccc1)c2ccccc2)(c3ccccc3)c4ccccc4,C[Si](O[Si](C)(c1ccccc1)c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C26H26OSi2/c1-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27-29(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3",C26H26OSi2,,,,,,RFGGTTPASBFBTB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.253,212-378-6,811-98-3,(2H4)methanol,methanol,CO,CO,"InChI=1/CH4O/c1-2/h2H,1H3",CD4O,,,,,,OKKJLVBELUTLKV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.255,212-380-7,812-01-1,Methyl chlorosulphate,methyl chlorosulfate,COS(=O)(=O)Cl,COS(=O)(=O)Cl,"InChI=1/CH3ClO3S/c1-5-6(2,3)4/h1H3",CH3ClO3S,,,,,,KNVLCWQKYHCADB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.257,212-382-8,812-94-2,"1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methylbutane-1-sulphonamide","1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methylbutane-1-sulfonamide",CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H12F9NO3S/c1-19(4-2-3-5-20)23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h20H,2-5H2,1H3",C9H12F9NO3S,,,,,,ZDKQQLGFDAYLPC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.259,212-384-9,813-44-5,"1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one","1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one",FC(F)(F)C(F)(C(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(C(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C7F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21",C7F14O,,,,,,GRVMOMUDALILLH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.260,212-385-4,813-56-9,[2H2]malonic [2H2]acid,malonic acid,OC(=O)CC(=O)O,OC(=O)CC(=O)O,"InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)",C3D4O4,,,,,,OFOBLEOULBTSOW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.057,213-262-8,932-96-7,4-chloro-N-methylaniline,4-chloro-N-methylaniline,CNc1ccc(Cl)cc1,CNc1ccc(Cl)cc1,"InChI=1/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3",C7H8ClN,,,,,,XCEYKKJMLOFDSS-UHFFFAOYSA-N,Positive,EQ347801|EQ347802|EQ347803|EQ347804|EQ347805|EQ347806|EQ347807|EQ347808|EQ347809;ET040201,[M+H]+;[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD160-0.41mz or 15 (mz>350) nominal units,142.0417:127.0182:107.0728|142.0417:127.0182:107.0728|127.0182:142.0417:107.0728|127.0182:142.0417:107.0729|127.0182:142.0418:107.0729|127.0182:100.0074:92.0494|127.0183:92.0494:100.0074|65.0385:127.0183:92.0494|65.0385:92.0494:127.0183;127.0183:100.0074:92.0494,Eawag;Eawag_Additional_Specs,,,,,
100.012.059,213-264-9,933-05-1,Cyclopentyl acetate,cyclopentyl acetate,CC(=O)OC1CCCC1,CC(=O)OC1CCCC1,"InChI=1/C7H12O2/c1-6(8)9-7-4-2-3-5-7/h7H,2-5H2,1H3",C7H12O2,,,,,,YFPCLQKFNXUAAK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.060,213-265-4,933-12-0,"3,5,5-trimethylcyclohexene","3,5,5-trimethylcyclohexene",CC1CC(C)(C)CC=C1,CC1CC(C)(C)CC=C1,"InChI=1/C9H16/c1-8-5-4-6-9(2,3)7-8/h4-5,8H,6-7H2,1-3H3",C9H16,,,,,,CBERVMGFVLWZSU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.066,213-272-2,933-78-8,"2,3,5-trichlorophenol","2,3,5-trichlorophenol",Oc1cc(Cl)cc(Cl)c1Cl,Oc1cc(Cl)cc(Cl)c1Cl,"InChI=1/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H",C6H3Cl3O,,,,,,WWGQHTJIFOQAOC-UHFFFAOYSA-N,Negative,,,,,,SM806451,[M-H]-,HCD35,194.9176:158.941,CASMI_2016
100.012.069,213-275-9,933-98-2,3-ethyl-o-xylene,"1-ethyl-2,3-dimethylbenzene",CCc1cccc(C)c1C,CCc1cccc(C)c1C,"InChI=1/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3",C10H14,,,,,,QUBBAXISAHIDNM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.074,213-281-1,934-34-9,Benzothiazol-2(3H)-one,"1,3-benzothiazol-2(3H)-one",O=C1Nc2ccccc2S1,O=C1Nc2ccccc2S1,"InChI=1/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",C7H5NOS,,,,,,YEDUAINPPJYDJZ-UHFFFAOYSA-N,Positive/Negative,AU405901|AU405902|AU405903|AU405904;SM871201;EQ337501|EQ337502|EQ337503|EQ337504|EQ337505|EQ337506|EQ337507|EQ337508|EQ337509,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,152.0169:153.0193:154.0125|152.0168:124.0218:153.0205|124.0217:152.0166:119.0372|124.0211:119.0367:132.9969;152.0164:124.0215:92.0495;152.0164:92.0495:124.0216|152.0164:124.0216:92.0495|152.0164:124.0216:92.0495|152.0164:124.0216:92.0495|152.0164:124.0216:92.0495|80.0494:124.0216:152.0165|80.0494:65.0386:91.0417|65.0386:80.0494:91.0417|65.0386:63.023:80.0495,Athens_Univ;CASMI_2016;Eawag,AU405951|AU405952;EQ337551|EQ337552|EQ337553|EQ337554|EQ337555|EQ337556|EQ337557|EQ337558|EQ337559,[M-H]-;[M-H]-,CID10|CID20;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,149.9997:151.003|149.9994;150.0019|150.0019|150.0019:122.0071|150.0019:122.0071:106.9962|150.0019:122.0071:106.9962|150.002:122.0071:106.9962|150.002:106.9962:56.9805|56.9805:90.0349:106.9962|56.9805:90.035:80.9804,Athens_Univ;Eawag
100.012.077,213-284-8,934-53-2,(1-chloro-1-methylethyl)benzene,(1-chloro-1-methylethyl)benzene,CC(C)(Cl)c1ccccc1,CC(C)(Cl)c1ccccc1,"InChI=1/C9H11Cl/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3",C9H11Cl,,,,,,KPJKMUJJFXZGAX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.079,213-286-9,934-55-4,Potassium benzenesulphonate,potassium benzenesulfonate,[K+].[O-]S(=O)(=O)c1ccccc1,[K+].[O-]S(=O)(=O)c1ccccc1,"InChI=1/C6H6O3S.K/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1",C6H6O3S.K,,,,,,ABHHITAVUODQNA-UHFFFAOYSA-M,,,,,,,,,,,
100.012.089,213-297-9,935-07-9,Acetaldehyde phenylhydrazone,1-ethylidene-2-phenylhydrazine,C\\C=N/Nc1ccccc1,C\C=N/Nc1ccccc1,"InChI=1/C8H10N2/c1-2-9-10-8-6-4-3-5-7-8/h2-7,10H,1H3",C8H10N2,,,,,,KURBTRNHGDQKOS-MBXJOHMKSA-N,,,,,,,,,,,
100.012.091,213-300-3,935-30-8,8-octanelactam,azonan-2-one,O=C1CCCCCCCN1,O=C1CCCCCCCN1,"InChI=1/C8H15NO/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10)",C8H15NO,,,,,,YDLSUFFXJYEVHW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.097,213-307-1,935-75-1,"N,N-dimethylthio-2-thioxoimidazolidine-1-carboxamide","N,N-bis(methylsulfanyl)-2-thioxoimidazolidine-1-carboxamide",CSN(SC)C(=O)N1CCNC1=S,CSN(SC)C(=O)N1CCNC1=S,"InChI=1/C6H11N3OS3/c1-12-9(13-2)6(10)8-4-3-7-5(8)11/h3-4H2,1-2H3,(H,7,11)",C6H11N3S2,,,,,,AZRVHPGHFSMWFI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.941,207-634-9,486-56-6,Cotinine,1-methyl-5-pyridin-3-ylpyrrolidin-2-one,CN1[C@@H](CCC1=O)c2cccnc2,CN1[C@@H](CCC1=O)c2cccnc2,"InChI=1/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3",C10H12N2O,,,,,,UIKROCXWUNQSPJ-VIFPVBQESA-N,Positive,SM818403,[M+H]+,HCD35,177.1023:80.0495:98.0601,CASMI_2016,,,,,
100.006.942,207-635-4,486-66-8,7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone,7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one,Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,"InChI=1/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H",C15H10O4,,,,,,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,Positive/Negative,SM882802;UF423901|UF423902|UF423903|UF423904,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,255.0652:199.0754:137.0233;255.0649:199.0752:227.0701|181.0646:137.0232:91.0541|199.075:255.0647:137.023|199.075:137.023:227.0698,CASMI_2016;UFZ,SM882851;UF423951|UF423952|UF423953|UF423954,[M-H]-;[M-H]-,HCD35;HCD55|HCD80|CID35|CID55,253.0506:224.0479:209.0607;253.0506|253.0504|253.0504:224.0477:209.0606|224.0479:209.0608:225.0558,CASMI_2016;UFZ
100.005.638,206-200-6,307-35-7,Heptadecafluorooctanesulphonyl fluoride,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28",C8F18O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12501,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.638,BHFJBHMTEDLICO-UHFFFAOYSA-N,,,,,,,,,,,
100.005.642,206-204-8,307-59-5,Hexacosafluorododecane,hexacosafluorododecane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38",C12F26,,,,,,WNZGTRLARPEMIG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.667,206-232-0,312-93-6,"9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate",CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O,"InChI=1/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)",C22H30FO8P,,,,,,VQODGRNSFPNSQE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.675,206-240-4,314-03-4,Pimethixene,1-methyl-4-(9H-thioxanthen-9-ylidene)piperidine,CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1,CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1,"InChI=1/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3",C19H19NS,,,,,,NZLVRVYNQYGMAB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.680,206-246-7,314-41-0,"1,2,3,5-tetrafluoro-4-nitrobenzene","1,2,3,5-tetrafluoro-4-nitrobenzene",[O-][N+](=O)c1c(F)cc(F)c(F)c1F,[O-][N+](=O)c1c(F)cc(F)c(F)c1F,InChI=1/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H,C6HF4NO2,,,,,,FDLCUAUNAWWSBX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.681,206-247-2,314-42-1,Isocil,"5-bromo-3-isopropyl-6-methylpyrimidine-2,4(1H,3H)-dione",CC(C)N1C(=O)NC(=C(Br)C1=O)C,CC(C)N1C(=O)NC(=C(Br)C1=O)C,"InChI=1/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)",C8H11BrN2O2,,,,,,PSYBGEADHLUXCS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.682,206-248-8,315-14-0,"1,3,5-trifluoro-2-nitrobenzene","1,3,5-trifluoro-2-nitrobenzene",[O-][N+](=O)c1c(F)cc(F)cc1F,[O-][N+](=O)c1c(F)cc(F)cc1F,InChI=1/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H,C6H2F3NO2,,,,,,PWRFDGYYJWQIAB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.698,206-266-6,317-66-8,S-propionylcoenzyme A,9-{5-O-[hydroxy(3-oxo-3-{[2-(propionylsulfanyl)ethyl]amino}propoxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine,CCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,CCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,"InChI=1/C18H28N6O12P2S/c1-2-12(26)39-6-4-20-11(25)3-5-33-38(31,32)34-7-10-15(36-37(28,29)30)14(27)18(35-10)24-9-23-13-16(19)21-8-22-17(13)24/h8-10,14-15,18,27H,2-7H2,1H3,(H,20,25)(H,31,32)(H2,19,21,22)(H2,28,29,30)",C24H40N7O17P3S,,,,,,IBXGFBZQOYTDGC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.708,206-277-6,320-51-4,"4-chloro-a,a,a-trifluoro-m-toluidine",4-chloro-3-(trifluoromethyl)aniline,Nc1ccc(Cl)c(c1)C(F)(F)F,Nc1ccc(Cl)c(c1)C(F)(F)F,"InChI=1/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2",C7H5ClF3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18462,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.708,ASPDJZINBYYZRU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.714,206-283-9,321-14-2,5-chlorosalicylic acid,5-chloro-2-hydroxybenzoic acid,OC(=O)c1cc(Cl)ccc1O,OC(=O)c1cc(Cl)ccc1O,"InChI=1/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)",C7H5ClO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17865,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.714,NKBASRXWGAGQDP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.717,206-287-0,321-38-0,1-fluoronaphthalene,1-fluoronaphthalene,Fc1cccc2ccccc12,Fc1cccc2ccccc12,InChI=1/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C10H7F,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18128,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.717,CWLKTJOTWITYSI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.718,206-288-6,321-54-0,3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl diethyl phosphate,3-chloro-4-methyl-2-oxo-2H-chromen-7-yl diethyl phosphate,CCOP(=O)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,CCOP(=O)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,"InChI=1/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3",C14H16ClO6P,,,,,,FDYMERLIFOUIRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.722,206-292-8,321-97-1,"[R-(R*,R*)]-a-[1-(methylamino)ethyl]benzyl alcohol",2-(methylamino)-1-phenylpropan-1-ol,CNC(C)C(O)c1ccccc1,CNC(C)C(O)c1ccccc1,"InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3",C10H15NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11943,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.722,KWGRBVOPPLSCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.724,206-294-9,322-46-3,"Pyrido[3,2-b]pyrazine","pyrido[2,3-b]pyrazine",c1cnc2nccnc2c1,c1cnc2nccnc2c1,InChI=1/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H,C7H5N3,,,,,,YEYHFKBVNARCNE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.215,212-336-7,790-69-2,Loflucarban,"1-(3,5-dichlorophenyl)-3-(4-fluorophenyl)thiourea",Fc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1,Fc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1,"InChI=1/C13H9Cl2FN2S/c14-8-5-9(15)7-12(6-8)18-13(19)17-11-3-1-10(16)2-4-11/h1-7H,(H2,17,18,19)",C13H9Cl2FN2S,,,,,,ZHNUMLOCJMCLIT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.218,212-339-3,791-31-1,Triphenylsilanol,triphenylsilanol,O[Si](c1ccccc1)(c2ccccc2)c3ccccc3,O[Si](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H16OSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H",C18H16OSi,,,,,,NLSXASIDNWDYMI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.223,212-345-6,794-94-5,p-anisic anhydride,4-methoxybenzoic anhydride,COc1ccc(cc1)C(=O)OC(=O)c2ccc(OC)cc2,COc1ccc(cc1)C(=O)OC(=O)c2ccc(OC)cc2,"InChI=1/C16H14O5/c1-19-13-7-3-11(4-8-13)15(17)21-16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3",C16H14O5,,,,,,YGMHIBLUWGDWKP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.228,212-350-3,799-43-9,"(±)-13-ethyl-3-methoxy-18,19-dinor-17a-pregna-2,5(10)-dien-20-yn-17-ol","13-ethyl-17-ethynyl-3-methoxy-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",CCC12CCC3C(CCC4=C3CC=C(C4)OC)C1CCC2(O)C#C,CCC12CCC3C(CCC4=C3CC=C(C4)OC)C1CCC2(O)C#C,"InChI=1/C22H30O2/c1-4-21-12-10-18-17-9-7-16(24-3)14-15(17)6-8-19(18)20(21)11-13-22(21,23)5-2/h2,7,18-20,23H,4,6,8-14H2,1,3H3",C22H30O2,,,,,,CQXCBGIFQZKDED-UHFFFAOYSA-N,,,,,,,,,,,
100.011.233,212-356-6,804-10-4,Carbocromen,ethyl ({3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-chromen-7-yl}oxy)acetate,CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1)C,CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1)C,"InChI=1/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3",C20H27NO5,,,,,,KLOIYEQEVSIOOO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.235,212-358-7,804-36-4,1-(3-(5-nitro-2-furyl)-1-(2-(5-nitro-2-furyl)vinyl)allylideneamino)guanidine hydrochloride,2-{4-(5-nitro-2-furyl)-1-[(5-nitro-2-furyl)methyl]but-3-en-1-ylidene}hydrazinecarboximidamide,NC(=N)NN=C(CC=Cc1oc(cc1)N(=O)=O)Cc2oc(cc2)N(=O)=O,NC(=N)NN=C(CC=Cc1oc(cc1)N(=O)=O)Cc2oc(cc2)N(=O)=O,"InChI=1/C14H14N6O6/c15-14(16)18-17-9(8-11-5-7-13(26-11)20(23)24)2-1-3-10-4-6-12(25-10)19(21)22/h1,3-7H,2,8H2,(H4,15,16,18)",C14H12N6O6,,,,,,DAMWDCZGDVPNDX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.240,212-363-4,808-19-5,"3-ß-acetoxy-14-hydroxy-5-ß,14-ß-card-20(22)-enolide",3-acetoxy-14-hydroxycard-20(22)-enolide,CC(=O)OC1CCC2(C)C(CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1,CC(=O)OC1CCC2(C)C(CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1,"InChI=1/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3",C25H36O5,,,,,,WJOGTCZNZPHODB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.242,212-366-0,808-48-0,Desoxycortone pivalate,"3,20-dioxopregn-4-en-21-yl pivalate",CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3",C26H38O4,,,,,,VVOIQBFMTVCINR-WWMZEODYSA-N,,,,,,,,,,,
100.011.243,212-367-6,808-71-9,Diethyl(2-(6-(2-phenylacetamido)penicillanoyloxy)ethyl)ammonium iodide,"2-[({3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl}carbonyl)oxy]-N,N-diethylethanaminium iodide",[I-].CC[NH+](CC)CCOC(=O)[C@@H]1N2[C@H](SC1(C)C)C(NC(=O)Cc3ccccc3)C2=O,[I-].CC[NH+](CC)CCOC(=O)[C@@H]1N2[C@H](SC1(C)C)C(NC(=O)Cc3ccccc3)C2=O,"InChI=1/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H",C22H31N3O4S.HI,,,,,,XWRCFDRXQPRCCO-CAWFCDACSA-N,,,,,,,,,,,
100.011.244,212-368-1,809-51-8,7-oxocholest-5-en-3-ß-yl acetate,7-oxocholest-5-en-3-yl acetate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](CC4=CC3=O)OC(=O)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](CC4=CC3=O)OC(=O)C,"InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3",C29H46O3,,,,,,PMBSWZWCNKVWLV-OLVLZXMISA-N,,,,,,,,,,,
100.011.245,212-369-7,810-16-2,"4,4'-[methylenebis(methylimino)]bis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one]","4,4'-[methylenebis(methylimino)]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)",CN(CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2)C3=C(C)N(C)N(C3=O)c4ccccc4,CN(CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2)C3=C(C)N(C)N(C3=O)c4ccccc4,"InChI=1/C25H30N6O2/c1-18-22(24(32)30(28(18)5)20-13-9-7-10-14-20)26(3)17-27(4)23-19(2)29(6)31(25(23)33)21-15-11-8-12-16-21/h7-16H,17H2,1-6H3",C25H30N6O2,,,,,,GEFDLFMKEPTYLA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.247,212-371-8,811-54-1,Lead diformate,-,[Pb+2].[O-]C=O.[O-]C=O,[Pb+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Pb.2H/c2*2-1-3;;;/h2*1H,(H,2,3);;;/q;;+4;;/p-2/r2CH2O2.H2Pb/c2*2-1-3;/h2*1H,(H,2,3);1H2/q;;+4/p-2",CH2O2.1/2Pb,,,,,,ZGVSCHRFRACEIO-UHFFFAOYSA-L,,,,,,,,,,,
100.011.251,212-376-5,811-96-1,Chlorodifluoroacetaldehyde,chloro(difluoro)acetaldehyde,FC(F)(Cl)C=O,FC(F)(Cl)C=O,"InChI=1/C2HClF2O/c3-2(4,5)1-6/h1H",C2HClF2O,,,,,,PRGCVNDIGVIGBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.256,212-381-2,812-03-3,"1,1,1,2-tetrachloropropane","1,1,1,2-tetrachloropropane",CC(Cl)C(Cl)(Cl)Cl,CC(Cl)C(Cl)(Cl)Cl,"InChI=1/C3H4Cl4/c1-2(4)3(5,6)7/h2H,1H3",C3H4Cl4,,,,,,FEKGWIHDBVDVSM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.063,211-068-8,629-04-9,1-bromoheptane,1-bromoheptane,CCCCCCCBr,CCCCCCCBr,"InChI=1/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3",C7H15Br,,,,,,LSXKDWGTSHCFPP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.065,211-070-9,629-06-1,1-chloroheptane,1-chloroheptane,CCCCCCCCl,CCCCCCCCl,"InChI=1/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3",C7H15Cl,,,,,,DZMDPHNGKBEVRE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.069,211-075-6,629-12-9,Pentyl isothiocyanate,1-isothiocyanatopentane,CCCCCN=C=S,CCCCCN=C=S,"InChI=1/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3",C6H11NS,,,,,,SGHJUJBYMSVAJY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.079,211-086-6,629-31-2,Heptanal oxime,heptanal oxime,CCCCCCC=NO,CCCCCCC=NO,"InChI=1/C7H15NO/c1-2-3-4-5-6-7-8-9/h7,9H,2-6H2,1H3",C7H15NO,,,,,,BNYNJIKGRPHFAM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.080,211-087-1,629-33-4,Hexyl formate,hexyl formate,CCCCCCOC=O,CCCCCCOC=O,"InChI=1/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3",C7H14O2,,,,,,OUGPMNMLWKSBRI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.096,211-104-2,629-72-1,1-bromopentadecane,1-bromopentadecane,CCCCCCCCCCCCCCCBr,CCCCCCCCCCCCCCCBr,"InChI=1/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3",C15H31Br,,,,,,JKOTZBXSNOGCIF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.098,211-106-3,629-74-3,Hexadec-1-yne,hexadec-1-yne,CCCCCCCCCCCCCCC#C,CCCCCCCCCCCCCCC#C,"InChI=1/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3",C16H30,,,,,,UCIDYSLOTJMRAM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.099,211-107-9,629-76-5,Pentadecan-1-ol,pentadecan-1-ol,CCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCO,"InChI=1/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3",C15H32O,,,,,,REIUXOLGHVXAEO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.100,211-108-4,629-78-7,N-heptadecane,heptadecane,CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCC,"InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3",C17H36,,,,,,NDJKXXJCMXVBJW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.102,211-111-0,629-80-1,Hexadecanal,palmitaldehyde,CCCCCCCCCCCCCCCC=O,CCCCCCCCCCCCCCCC=O,"InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",C16H32O,,,,,,NIOYUNMRJMEDGI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.103,211-112-6,629-82-3,Dioctyl ether,"1,1'-oxydioctane",CCCCCCCCOCCCCCCCC,CCCCCCCCOCCCCCCCC,"InChI=1/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2013,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.103,NKJOXAZJBOMXID-UHFFFAOYSA-N,,,,,,,,,,,
100.010.114,211-124-1,630-01-3,Hexacosane,hexacosane,CCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C26H54,,,,,,HMSWAIKSFDFLKN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.117,211-127-8,630-06-8,Hexatriacontane,hexatriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C36H74,,,,,,YDLYQMBWCWFRAI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.736,207-407-4,468-50-8,Betameprodine,3-ethyl-1-methyl-4-phenylpiperidin-4-yl propionate,CC[C@H]1CN(C)CC[C@@]1(OC(=O)CC)c2ccccc2,CC[C@H]1CN(C)CC[C@@]1(OC(=O)CC)c2ccccc2,"InChI=1/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3",C17H25NO2,,,,,,ODEGQXRCQDVXSJ-YOEHRIQHSA-N,,,,,,,,,,,
100.006.737,207-409-5,468-51-9,Alphameprodine,3-ethyl-1-methyl-4-phenylpiperidin-4-yl propionate,CC[C@H]1CN(C)CC[C@]1(OC(=O)CC)c2ccccc2,CC[C@H]1CN(C)CC[C@]1(OC(=O)CC)c2ccccc2,"InChI=1/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3",C17H25NO2,,,,,,ODEGQXRCQDVXSJ-WMLDXEAASA-N,,,,,,,,,,,
100.006.752,207-425-2,470-38-2,"(3S,3'S,5R,5'R)-3,3'-dihydroxy-<U+03BA>,<U+03BA>-carotene-6,6'-dione","3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=CC(=O)[C@]1(C)C[C@@H](O)CC1(C)C)\\C=C\\C=C(/C)\\C=C\\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC(=O)[C@]1(C)C[C@@H](O)CC1(C)C)\C=C\C=C(/C)\C=C\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C,"InChI=1/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3",C40H56O4,,,,,,GVOIABOMXKDDGU-JVOMWLTHSA-N,,,,,,,,,,,
100.006.755,207-428-9,470-67-7,1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane,1-isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane,CC(C)C12CCC(C)(CC1)O2,CC(C)C12CCC(C)(CC1)O2,"InChI=1/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3",C10H18O,,,,,,RFFOTVCVTJUTAD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.757,207-431-5,470-82-6,Cineole,"1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane",CC12CCC(CC1)C(C)(C)O2,CC12CCC(CC1)C(C)(C)O2,"InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",C10H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13231,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.757,WEEGYLXZBRQIMU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.761,207-435-7,471-10-3,"3-chloro-3,7-dimethylocta-1,6-diene","3-chloro-3,7-dimethylocta-1,6-diene",CC(=CCCC(C)(Cl)C=C)C,CC(=CCCC(C)(Cl)C=C)C,"InChI=1/C10H17Cl/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3",C10H17Cl,,,,,,PJILXNRGDWHSRA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.106,213-317-6,936-59-4,ß-chloropropiophenone,3-chloro-1-phenylpropan-1-one,ClCCC(=O)c1ccccc1,ClCCC(=O)c1ccccc1,"InChI=1/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2",C9H9ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18688,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.106,KTJRGPZVSKWRTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.631,211-693-6,687-46-7,Ethyl 2-chloroacrylate,ethyl 2-chloroacrylate,CCOC(=O)C(=C)Cl,CCOC(=O)C(=C)Cl,"InChI=1/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3",C5H7ClO2,,,,,,CVUNPKSKGHPMSY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.634,211-696-2,687-51-4,(S)-2-amino-4-methylvaleramide,L-leucinamide,CC(C)C[C@H](N)C(=O)N,CC(C)C[C@H](N)C(=O)N,"InChI=1/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)",C6H14N2O,,,,,,FORGMRSGVSYZQR-YFKPBYRVSA-N,,,,,,,,,,,
100.010.635,211-697-8,687-64-9,Methyl lysinate,methyl lysinate,COC(=O)C(N)CCCCN,COC(=O)C(N)CCCCN,"InChI=1/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3",C7H16N2O2,,,,,,KPNBUPJZFJCCIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.650,211-713-3,689-97-4,Butenyne,but-1-en-3-yne,C=CC#C,C=CC#C,"InChI=1/C4H4/c1-3-4-2/h1,4H,2H2",C4H4,,,,,,WFYPICNXBKQZGB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.659,211-723-8,691-64-5,Di-tert-butyl oxalate,di-tert-butyl oxalate,CC(C)(C)OC(=O)C(=O)OC(C)(C)C,CC(C)(C)OC(=O)C(=O)OC(C)(C)C,"InChI=1/C10H18O4/c1-9(2,3)13-7(11)8(12)14-10(4,5)6/h1-6H3",C10H18O4,,,,,,CIYGMWIAXRMHQS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.664,211-729-0,692-33-1,N-allylacetamide,N-allylacetamide,CC(=O)NCC=C,CC(=O)NCC=C,"InChI=1/C5H9NO/c1-3-4-6-5(2)7/h3H,1,4H2,2H3,(H,6,7)",C5H9NO,,,,,,DVQCXAUFUOFSDW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.665,211-730-6,692-45-5,Vinyl formate,vinyl formate,C=COC=O,C=COC=O,"InChI=1/C3H4O2/c1-2-5-3-4/h2-3H,1H2",C3H4O2,,,,,,GFJVXXWOPWLRNU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.676,211-742-1,693-07-2,2-chloroethyl ethyl sulphide,1-chloro-2-(ethylsulfanyl)ethane,CCSCCCl,CCSCCCl,"InChI=1/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3",C4H9ClS,,,,,,GBNVXYXIRHSYEG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.679,211-745-8,693-21-0,Oxydiethylene dinitrate,"oxydiethane-2,1-diyl dinitrate",O=[N+]([O-])OCCOCCO[N+]([O-])=O,O=[N+]([O-])OCCOCCO[N+]([O-])=O,InChI=1/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,C4H8N2O7,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10965,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.679,LYAGTVMJGHTIDH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.681,211-747-9,693-25-4,Bromopentylmagnesium,bromo(pentyl)magnesium,CCCCC[Mg]Br,CCCCC[Mg]Br,"InChI=1/C5H11.BrH.Mg/c1-3-5-4-2;;/h1,3-5H2,2H3;1H;/q;;+1/p-1/rC5H11BrMg/c1-2-3-4-5-7-6/h2-5H2,1H3",C5H11BrMg,,,,,,ZXWGTPYWPZGZPT-UHFFFAOYSA-M,,,,,,,,,,,
100.010.683,211-750-5,693-36-7,"Dioctadecyl 3,3'-thiodipropionate","dioctadecyl 3,3'-sulfanediyldipropanoate",CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",C42H82O4S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13363,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.683,PWWSSIYVTQUJQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.494,211-541-9,660-68-4,Diethylammonium chloride,N-ethylethanaminium chloride,[Cl-].CC[NH2+]CC,[Cl-].CC[NH2+]CC,"InChI=1/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H",C4H11N.ClH,,,,,,HDITUCONWLWUJR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.495,211-542-4,660-78-6,"Methyl(3,3,3-trifluoropropyl)silanediol","methyl(3,3,3-trifluoropropyl)silanediol",C[Si](O)(O)CCC(F)(F)F,C[Si](O)(O)CCC(F)(F)F,"InChI=1/C4H9F3O2Si/c1-10(8,9)3-2-4(5,6)7/h8-9H,2-3H2,1H3",C4H9F3O2Si,,,,,,HSYLDXYMZWLBLF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.499,211-547-1,661-36-9,Tetramethylammonium tetrafluoroborate,"N,N,N-trimethylmethanaminium tetrafluoroborate",C[N+](C)(C)C.F[B-](F)(F)F,C[N+](C)(C)C.F[B-](F)(F)F,"InChI=1/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1",C4H12N.BF4,,,,,,XWFABLFRYCHILB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.502,211-550-8,661-95-0,"1,2-dibromo-1,1,2,3,3,3-hexafluoropropane","1,2-dibromo-1,1,2,3,3,3-hexafluoropropane",FC(F)(F)C(F)(Br)C(F)(F)Br,FC(F)(F)C(F)(Br)C(F)(F)Br,"InChI=1/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11",C3Br2F6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5941,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.502,KTULQNFKNLFOHL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.503,211-551-3,661-97-2,"1,2-dichloro-1,1,2,3,3,3-hexafluoropropane","1,2-dichloro-1,1,2,3,3,3-hexafluoropropane",FC(F)(F)C(F)(Cl)C(F)(F)Cl,FC(F)(F)C(F)(Cl)C(F)(F)Cl,"InChI=1/C3Cl2F6/c4-1(6,2(5,7)8)3(9,10)11",C3Cl2F6,,,,,,JSEUKVSKOHVLOV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.507,211-556-0,664-25-5,Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate,methyl 16-(hydroxymethyl)-1-methylsarpagan-17-oate,COC(=O)C1(CO)[C@@H]2Cc3c([C@@H]4C[C@H]1\\C(=C/C)\\CN24)n(C)c5ccccc35,COC(=O)C1(CO)[C@@H]2Cc3c([C@@H]4C[C@H]1\C(=C/C)\CN24)n(C)c5ccccc35,"InChI=1/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3",C22H26N2O3,,,,,,IWEYXWIPVZEVPT-LQTKWWQISA-N,,,,,,,,,,,
100.010.509,211-558-1,665-31-6,"2,2-difluorosuccinic acid","2,2-difluorosuccinic acid",OC(=O)CC(F)(F)C(=O)O,OC(=O)CC(F)(F)C(=O)O,"InChI=1/C4H4F2O4/c5-4(6,3(9)10)1-2(7)8/h1H2,(H,7,8)(H,9,10)",C4H4F2O4,,,,,,ZYLFHISLYSHWRH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.729,206-301-5,323-87-5,"4-hydroxy[1,1'-biphenyl]-3-carboxylic acid",4-hydroxybiphenyl-3-carboxylic acid,OC(=O)c1cc(ccc1O)c2ccccc2,OC(=O)c1cc(ccc1O)c2ccccc2,"InChI=1/C13H10O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)",C13H10O3,,,,,,LGERKUYJCZOBTB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.730,206-302-0,324-00-5,"2-butoxy-3,4-dihydro-4-phenyl-2H-pyran","2-butoxy-4-phenyl-3,4-dihydro-2H-pyran",CCCCOC1CC(C=CO1)c2ccccc2,CCCCOC1CC(C=CO1)c2ccccc2,"InChI=1/C15H20O2/c1-2-3-10-16-15-12-14(9-11-17-15)13-7-5-4-6-8-13/h4-9,11,14-15H,2-3,10,12H2,1H3",C15H20O2,,,,,,BAMXSUOLVYQHGY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.731,206-303-6,324-57-2,2-(3-fluorophenyl)-5-phenyloxazole,"2-(3-fluorophenyl)-5-phenyl-1,3-oxazole",Fc1cccc(c1)c2oc(cn2)c3ccccc3,Fc1cccc(c1)c2oc(cn2)c3ccccc3,InChI=1/C15H10FNO/c16-13-8-4-7-12(9-13)15-17-10-14(18-15)11-5-2-1-3-6-11/h1-10H,C15H10FNO,,,,,,JZLKUOILTZUDBI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.733,206-305-7,324-80-1,2-(4-fluorophenyl)-5-phenyloxazole,"2-(4-fluorophenyl)-5-phenyl-1,3-oxazole",Fc1ccc(cc1)c2oc(cn2)c3ccccc3,Fc1ccc(cc1)c2oc(cn2)c3ccccc3,InChI=1/C15H10FNO/c16-13-8-6-12(7-9-13)15-17-10-14(18-15)11-4-2-1-3-5-11/h1-10H,C15H10FNO,,,,,,LYJAYIOONPEHJW-UHFFFAOYSA-N,,,,,,,,,,,
100.005.755,206-329-8,328-42-7,Oxalacetic acid,2-oxosuccinic acid,OC(=O)CC(=O)C(=O)O,OC(=O)CC(=O)C(=O)O,"InChI=1/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)",C4H4O5,,,,,,KHPXUQMNIQBQEV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.756,206-330-3,328-50-7,2-oxoglutaric acid,2-oxopentanedioic acid,OC(=O)CCC(=O)C(=O)O,OC(=O)CCC(=O)C(=O)O,"InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",C5H6O5,,,,,,KPGXRSRHYNQIFN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.766,206-341-3,329-01-1,"a,a,a-trifluoro-3-tolyl isocyanate",1-isocyanato-3-(trifluoromethyl)benzene,FC(F)(F)c1cccc(c1)N=C=O,FC(F)(F)c1cccc(c1)N=C=O,"InChI=1/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H",C8H4F3NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5701,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.766,SXJYSIBLFGQAND-UHFFFAOYSA-N,,,,,,,,,,,
100.005.769,206-345-5,329-56-6,"L-a-(aminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride","4-(2-amino-1-hydroxyethyl)benzene-1,2-diol hydrochloride",Cl.NCC(O)c1ccc(O)c(O)c1,Cl.NCC(O)c1ccc(O)c(O)c1,"InChI=1/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H",C8H11NO3.ClH,,,,,,FQTFHMSZCSUVEU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.771,206-347-6,329-65-7,Racepinefrine,"4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol",CNCC(O)c1ccc(O)c(O)c1,CNCC(O)c1ccc(O)c(O)c1,"InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3",C9H13NO3,,,,,,UCTWMZQNUQWSLP-UHFFFAOYSA-N,,,,,,,,,,,
100.005.774,206-350-2,329-98-6,a-toluenesulphonyl fluoride,phenylmethanesulfonyl fluoride,FS(=O)(=O)Cc1ccccc1,FS(=O)(=O)Cc1ccccc1,"InChI=1/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7FO2S,,,,,,YBYRMVIVWMBXKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.775,206-351-8,330-11-0,4-(trifluoromethoxy)benzoyl fluoride,4-(trifluoromethoxy)benzoyl fluoride,FC(=O)c1ccc(OC(F)(F)F)cc1,FC(=O)c1ccc(OC(F)(F)F)cc1,"InChI=1/C8H4F4O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H",C8H4F4O2,,,,,,UKJWAZZCGZQPTA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.777,206-353-9,330-13-2,4-nitrophenyl dihydrogen phosphate,4-nitrophenyl dihydrogen phosphate,OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O,OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O,"InChI=1/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)",C6H6NO6P,,,,,,XZKIHKMTEMTJQX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.780,206-357-0,330-84-7,1-fluoro-4-phenoxybenzene,1-fluoro-4-phenoxybenzene,Fc1ccc(Oc2ccccc2)cc1,Fc1ccc(Oc2ccccc2)cc1,InChI=1/C12H9FO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,C12H9FO,,,,,,AODSTUBSNYVSSL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.783,206-360-7,331-25-9,3-fluorophenylacetic acid,(3-fluorophenyl)acetic acid,OC(=O)Cc1cccc(F)c1,OC(=O)Cc1cccc(F)c1,"InChI=1/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7FO2,,,,,,YEAUYVGUXSZCFI-UHFFFAOYSA-N,,,,,,,,,,,
100.005.787,206-364-9,332-43-4,1-(2-chloroethyl)-4-fluorobenzene,1-(2-chloroethyl)-4-fluorobenzene,Fc1ccc(CCCl)cc1,Fc1ccc(CCCl)cc1,"InChI=1/C8H8ClF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2",C8H8ClF,,,,,,LPUURRVXQCVXCX-UHFFFAOYSA-N,,,,,,,,,,,
100.005.791,206-369-6,333-18-6,Ethylenediammonium dichloride,"ethane-1,2-diaminium dichloride",[Cl-].[Cl-].[NH3+]CC[NH3+],[Cl-].[Cl-].[NH3+]CC[NH3+],InChI=1/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H,C2H8N2.2ClH,,,,,,OHHBFEVZJLBKEH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.797,206-375-9,333-93-7,Tetramethylenediammonium dichloride,"butane-1,4-diaminium dichloride",[Cl-].[Cl-].[NH3+]CCCC[NH3+],[Cl-].[Cl-].[NH3+]CCCC[NH3+],InChI=1/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H,C4H12N2.2ClH,,,,,,XXWCODXIQWIHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.261,212-387-5,813-60-5,"2-methyl-2-(1-methylpropyl)propane-1,3-diol","2-sec-butyl-2-methylpropane-1,3-diol",CCC(C)C(C)(CO)CO,CCC(C)C(C)(CO)CO,"InChI=1/C8H18O2/c1-4-7(2)8(3,5-9)6-10/h7,9-10H,4-6H2,1-3H3",C8H18O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11297,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.261,MSRXHJALEMAKGB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.263,212-389-6,813-78-5,Dimethyl hydrogen phosphate,dimethyl hydrogen phosphate,COP(=O)(O)OC,COP(=O)(O)OC,"InChI=1/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)",C2H7O4P,,,,,,KKUKTXOBAWVSHC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.053,213-258-6,932-83-2,Hexahydro-1-nitroso-1H-azepine,1-nitrosoazepane,O=NN1CCCCCC1,O=NN1CCCCCC1,InChI=1/C6H12N2O/c9-7-8-5-3-1-2-4-6-8/h1-6H2,C6H12N2O,,,,,,UZMVSVHUTOAPTD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.054,213-259-1,932-86-5,(2-bromoethylidene)cyclohexane,(2-bromoethylidene)cyclohexane,BrCC=C1CCCCC1,BrCC=C1CCCCC1,"InChI=1/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h6H,1-5,7H2",C8H13Br,,,,,,LUTZQLLTXUSAOF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.058,213-263-3,932-98-9,4-chloronitrosobenzene,1-chloro-4-nitrosobenzene,Clc1ccc(cc1)N=O,Clc1ccc(cc1)N=O,InChI=1/C6H4ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4H,C6H4ClNO,,,,,,IEYSGPZUULPJPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.078,213-285-3,934-54-3,Calcium di(benzenesulphonate),calcium bisbenzenesulfonate,[Ca+2].[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,[Ca+2].[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,"InChI=1/2C6H6O3S.Ca/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2",C6H6O3S.1/2Ca,,,,,,VJOCYCQXNTWNGC-UHFFFAOYSA-L,,,,,,,,,,,
100.012.081,213-289-5,934-67-8,cis-4-methylcyclohexanecarboxylic acid,4-methylcyclohexanecarboxylic acid,C[C@@H]1CC[C@@H](CC1)C(=O)O,C[C@@H]1CC[C@@H](CC1)C(=O)O,"InChI=1/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)",C8H14O2,,,,,,QTDXSEZXAPHVBI-KNVOCYPGSA-N,,,,,,,,,,,
100.012.085,213-293-7,934-80-5,4-ethyl-o-xylene,"4-ethyl-1,2-dimethylbenzene",CCc1ccc(C)c(C)c1,CCc1ccc(C)c(C)c1,"InChI=1/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3",C10H14,,,,,,SBUYFICWQNHBCM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.090,213-298-4,935-13-7,Furan-2-propionic acid,3-(2-furyl)propanoic acid,OC(=O)CCc1occc1,OC(=O)CCc1occc1,"InChI=1/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)",C7H8O3,,,,,,XLTJXJJMUFDQEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.093,213-302-4,935-42-2,1-phenylcyclopropanemethylamine,1-(1-phenylcyclopropyl)methanamine,NCC1(CC1)c2ccccc2,NCC1(CC1)c2ccccc2,"InChI=1/C10H13N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2",C10H13N,,,,,,FUEMGCALFIHXAS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.094,213-304-5,935-44-4,1-phenylcyclopropanecarbonitrile,1-phenylcyclopropanecarbonitrile,N#CC1(CC1)c2ccccc2,N#CC1(CC1)c2ccccc2,"InChI=1/C10H9N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-7H2",C10H9N,,,,,,ZHFURHRJUWYDKG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.102,213-312-9,936-05-0,1-methyl-5-nitro-1H-imidazole-2-methanol,(1-methyl-5-nitro-1H-imidazol-2-yl)methanol,Cn1c(CO)ncc1[N+](=O)[O-],Cn1c(CO)ncc1[N+](=O)[O-],"InChI=1/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3",C5H7N3O3,,,,,,JSAQDPJIVQMBAY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.636,211-698-3,687-68-3,"5,6-dimethylhept-5-en-2-one","5,6-dimethylhept-5-en-2-one",CC(=C(C)CCC(=O)C)C,CC(=C(C)CCC(=O)C)C,"InChI=1/C9H16O/c1-7(2)8(3)5-6-9(4)10/h5-6H2,1-4H3",C9H16O,,,,,,HASNVACCRLSDMU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.639,211-701-8,688-14-2,N-glycyl-DL-leucine,glycyl-L-leucine,CC(C)C[C@H](NC(=O)CN)C(=O)O,CC(C)C[C@H](NC(=O)CN)C(=O)O,"InChI=1/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",C8H16N2O3,,,,,,DKEXFJVMVGETOO-LURJTMIESA-N,,,,,,,,,,,
100.010.640,211-702-3,688-37-9,Aluminium trioleate,aluminum trioctadec-9-enoate,[Al+3].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Al+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H34O2.1/3Al,,,,,,IKCOOALACZVGLI-GNOQXXQHSA-K,,,,,,,,,,,
100.010.641,211-703-9,688-71-1,Tripropyl borate,tripropyl borate,CCCOB(OCCC)OCCC,CCCOB(OCCC)OCCC,"InChI=1/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3",C9H21BO3,,,,,,LTEHWCSSIHAVOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.645,211-708-6,688-84-6,2-ethylhexyl methacrylate,2-ethylhexyl methacrylate,CCCCC(CC)COC(=O)C(=C)C,CCCCC(CC)COC(=O)C(=C)C,"InChI=1/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3",C12H22O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14761,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.645,WDQMWEYDKDCEHT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.649,211-712-8,689-89-4,"Methyl (E,E)-hexa-2,4-dienoate","methyl hexa-2,4-dienoate",COC(=O)\\C=C\\C=C\\C,COC(=O)\C=C\C=C\C,"InChI=1/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3",C7H10O2,,,,,,KWKVAGQCDSHWFK-VNKDHWASSA-N,,,,,,,,,,,
100.006.762,207-436-2,471-16-9,Thuj-4(10)-en-3-ol,1-isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol,CC(C)C12CC(O)C(=C)C1C2,CC(C)C12CC(O)C(=C)C1C2,"InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3",C10H16O,,,,,,MDFQXBNVOAKNAY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.763,207-437-8,471-25-0,Propiolic acid,propiolic acid,OC(=O)C#C,OC(=O)C#C,"InChI=1/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)",C3H2O2,,,,,,UORVCLMRJXCDCP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.766,207-440-4,471-35-2,Tetramethyldiarsine,tetramethyldiarsane,C[As](C)[As](C)C,C[As](C)[As](C)C,InChI=1/C4H12As2/c1-5(2)6(3)4/h1-4H3,C4H12As2,,,,,,RSKPLCGMBWEANE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.768,207-443-0,471-47-6,Oxamic acid,amino(oxo)acetic acid,NC(=O)C(=O)O,NC(=O)C(=O)O,"InChI=1/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)",C2H3NO3,,,,,,SOWBFZRMHSNYGE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.769,207-444-6,471-53-4,Enoxolone,3-hydroxy-11-oxoolean-12-en-30-oic acid,CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O,CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O,"InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)",C30H46O4,,,,,,MPDGHEJMBKOTSU-YKLVYJNSSA-N,Positive/Negative,EQ326301|EQ326302|EQ326303|EQ326304|EQ326305|EQ326306|EQ326307|EQ326308|EQ326309,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,471.3468|471.3468:235.1692:317.2111|189.1638:135.1168:149.0961|107.0855:95.0855:149.0962|107.0855:95.0855:119.0856|91.0542:105.0699:93.0699|91.0543:79.0542:105.0699|91.0543:95.0492:79.0542|91.0543:65.0386:95.0492,Eawag,EQ326351|EQ326352|EQ326353|EQ326354|EQ326355|EQ326356|EQ326357|EQ326358|EQ326359,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,469.3321|469.3321:425.3426|469.3323:425.3428:355.2642|425.3427:355.2643:469.3324|355.2644:409.3114:325.2175|325.2174:355.2643:339.2329|171.0816:170.0738:185.0973|171.0816:170.0739:183.0811|170.0736:171.0813:183.0816,Eawag
100.006.770,207-445-1,471-87-4,"(S)-2-carboxylato-1,1-dimethylpyrrolidinium","1,1-dimethylpyrrolidinium-2-carboxylate",C[N+]1(C)CCC[C@H]1C(=O)[O-],C[N+]1(C)CCC[C@H]1C(=O)[O-],"InChI=1/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3",C7H13NO2,,,,,,CMUNUTVVOOHQPW-LURJTMIESA-N,,,,,,,,,,,
100.006.772,207-447-2,472-11-7,"(25R)-spirost-5-ene-1ß,3ß-diol","spirost-5-en-1,3-diol",C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,"InChI=1/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3",C27H42O4,,,,,,QMQIQBOGXYYATH-IDABPMKMSA-N,,,,,,,,,,,
100.006.781,207-457-7,472-87-7,Dehydroretinaldehyde,"3,4-didehydroretinal",CC(=CC=O)C=CC=C(C)C=CC1=C(C)C=CCC1(C)C,CC(=CC=O)C=CC=C(C)C=CC1=C(C)C=CCC1(C)C,"InChI=1/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3",C20H26O,,,,,,QHNVWXUULMZJKD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.251,210-175-7,609-08-5,Diethyl methylmalonate,diethyl methylmalonate,CCOC(=O)C(C)C(=O)OCC,CCOC(=O)C(C)C(=O)OCC,"InChI=1/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3",C8H14O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18586,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.251,UPQZOUHVTJNGFK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.253,210-177-8,609-11-0,"Ethyl 2,3-dibromobutyrate","ethyl 2,3-dibromobutanoate",CCOC(=O)C(Br)C(C)Br,CCOC(=O)C(Br)C(C)Br,"InChI=1/C6H10Br2O2/c1-3-10-6(9)5(8)4(2)7/h4-5H,3H2,1-2H3",C6H10Br2O2,,,,,,YPZLAXFGOUPECS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.257,210-182-5,609-17-6,"2,3,5-tribromoaniline","2,3,5-tribromoaniline",Nc1cc(Br)cc(Br)c1Br,Nc1cc(Br)cc(Br)c1Br,"InChI=1/C6H4Br3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2",C6H4Br3N,,,,,,BRFIPEIKLLLCJW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.272,210-198-2,609-71-2,"1,2-dihydro-2-oxonicotinic acid","2-oxo-1,2-dihydropyridine-3-carboxylic acid",OC(=O)C1=CC=CNC1=O,OC(=O)C1=CC=CNC1=O,"InChI=1/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)",C6H5NO3,,,,,,UEYQJQVBUVAELZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.280,210-206-4,610-14-0,2-nitrobenzoyl chloride,2-nitrobenzoyl chloride,[O-][N+](=O)c1ccccc1C(=O)Cl,[O-][N+](=O)c1ccccc1C(=O)Cl,InChI=1/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,C7H4ClNO3,,,,,,BWWHTIHDQBHTHP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.285,210-212-7,610-22-0,Dimethyl 4-nitrophthalate,dimethyl 4-nitrophthalate,COC(=O)c1ccc(cc1C(=O)OC)[N+](=O)[O-],COC(=O)c1ccc(cc1C(=O)OC)[N+](=O)[O-],"InChI=1/C10H9NO6/c1-16-9(12)7-4-3-6(11(14)15)5-8(7)10(13)17-2/h3-5H,1-2H3",C10H9NO6,,,,,,XWBDWELWBUWSNI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.286,210-213-2,610-23-1,"4,5-dinitro-o-xylene","1,2-dimethyl-4,5-dinitrobenzene",Cc1cc(c(cc1C)[N+](=O)[O-])[N+](=O)[O-],Cc1cc(c(cc1C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-5-3-7(9(11)12)8(10(13)14)4-6(5)2/h3-4H,1-2H3",C8H8N2O4,,,,,,IBJDGNVJTZEYRU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.288,210-215-3,610-27-5,4-nitrophthalic acid,4-nitrophthalic acid,OC(=O)c1ccc(cc1C(=O)O)[N+](=O)[O-],OC(=O)c1ccc(cc1C(=O)O)[N+](=O)[O-],"InChI=1/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5NO6,,,,,,SLBQXWXKPNIVSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.521,208-271-9,519-56-2,"Phenanthro[4,5-bcd]furan-3-ol","phenanthro[4,5-bcd]furan-3-ol",Oc1ccc2ccc3cccc4oc1c2c34,Oc1ccc2ccc3cccc4oc1c2c34,"InChI=1/C14H8O2/c15-10-7-6-9-5-4-8-2-1-3-11-12(8)13(9)14(10)16-11/h1-7,15H",C14H8O2,,,,,,IJTHCTQNQZKJIY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.525,211-575-4,670-24-6,"(S)-1,2,3,4,5,6,7,8-octahydro-2,5,5-trimethyl-2-naphthol","2,5,5-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol",C[C@]1(O)CCC2=C(CCCC2(C)C)C1,C[C@]1(O)CCC2=C(CCCC2(C)C)C1,"InChI=1/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h14H,4-9H2,1-3H3",C13H22O,,,,,,BGWAANSABVGTHL-ZDUSSCGKSA-N,,,,,,,,,,,
100.010.531,211-582-2,671-16-9,Procarbazine,N-isopropyl-4-[(2-methylhydrazino)methyl]benzamide,CNNCc1ccc(cc1)C(=O)NC(C)C,CNNCc1ccc(cc1)C(=O)NC(C)C,"InChI=1/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)",C12H19N3O,,,,,,CPTBDICYNRMXFX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.536,211-588-5,671-95-4,Clofenamide,"4-chlorobenzene-1,3-disulfonamide",NS(=O)(=O)c1ccc(Cl)c(c1)S(=O)(=O)N,NS(=O)(=O)c1ccc(Cl)c(c1)S(=O)(=O)N,"InChI=1/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)",C6H7ClN2O4S2,,,,,,NENBAISIHCWPKP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.265,212-391-7,813-94-5,Tricalcium dicitrate,tricalcium dicitrate,[Ca+2].[Ca+2].[Ca+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ca+2].[Ca+2].[Ca+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3/2Ca,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11241,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.265,FNAQSUUGMSOBHW-UHFFFAOYSA-H,,,,,,,,,,,
100.011.272,212-399-0,814-68-6,Acryloyl chloride,acryloyl chloride,ClC(=O)C=C,ClC(=O)C=C,"InChI=1/C3H3ClO/c1-2-3(4)5/h2H,1H2",C3H3ClO,,,,,,HFBMWMNUJJDEQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.275,212-403-0,814-74-4,"1,1,2-trimethyldisilane","1,1,2-trimethyldisilane",C[SiH2][SiH](C)C,C[SiH2][SiH](C)C,"InChI=1/C3H12Si2/c1-4-5(2)3/h5H,4H2,1-3H3",C3H12Si2,,,,,,JDTCYQUMKGXSMX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.276,212-404-6,814-75-5,3-bromobutan-2-one,3-bromobutan-2-one,CC(Br)C(=O)C,CC(Br)C(=O)C,"InChI=1/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3",C4H7BrO,,,,,,BNBOUFHCTIFWHN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.280,212-408-8,814-88-0,Cadmium oxalate,cadmium oxalate,[Cd+2].[O-]C(=O)C(=O)[O-],[Cd+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Cd/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Cd,,,,,,RMCKOIXJLDOSOT-UHFFFAOYSA-L,,,,,,,,,,,
100.011.281,212-409-3,814-89-1,Cobalt oxalate,cobalt(2+) oxalate,[Co+2].[O-]C(=O)C(=O)[O-],[Co+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Co/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Co,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11432,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.281,MULYSYXKGICWJF-UHFFFAOYSA-L,,,,,,,,,,,
100.011.286,212-415-6,814-95-9,Strontium oxalate,strontium oxalate,[Sr+2].[O-]C(=O)C(=O)[O-],[Sr+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Sr/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Sr,,,,,,KQAGKTURZUKUCH-UHFFFAOYSA-L,,,,,,,,,,,
100.011.287,212-416-1,814-98-2,"1,1,2,2-tetramethyldisilane","1,1,2,2-tetramethyldisilane",C[SiH](C)[SiH](C)C,C[SiH](C)[SiH](C)C,"InChI=1/C4H14Si2/c1-5(2)6(3)4/h5-6H,1-4H3",C4H14Si2,,,,,,RDWAGGBALVFUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.291,212-420-3,815-57-6,"3-methylpentane-2,4-dione","3-methylpentane-2,4-dione",CC(C(=O)C)C(=O)C,CC(C(=O)C)C(=O)C,"InChI=1/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3",C6H10O2,,,,,,GSOHKPVFCOWKPU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.293,212-422-4,815-68-9,Methine triacetate,"3-acetylpentane-2,4-dione",CC(=O)C(C(=O)C)C(=O)C,CC(=O)C(C(=O)C)C(=O)C,"InChI=1/C7H10O3/c1-4(8)7(5(2)9)6(3)10/h7H,1-3H3",C7H10O3,,,,,,AUZFRUHVDNDVJI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.295,212-425-0,815-82-7,"Copper [R-(R*,R*)]-tartrate",tartaric acid,OC(C(O)C(=O)O)C(=O)O,OC(C(O)C(=O)O)C(=O)O,"InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",C4H6O6.Cu,,,,,,FEWJPZIEWOKRBE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.316,212-448-6,818-04-2,Diisopentyl succinate,bis(3-methylbutyl) succinate,CC(C)CCOC(=O)CCC(=O)OCCC(C)C,CC(C)CCOC(=O)CCC(=O)OCCC(C)C,"InChI=1/C14H26O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h11-12H,5-10H2,1-4H3",C14H26O4,,,,,,VITLQDOBPXWZLH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.107,213-318-1,936-89-0,"2,4-diethylphenol","2,4-diethylphenol",CCc1ccc(O)c(CC)c1,CCc1ccc(O)c(CC)c1,"InChI=1/C10H14O/c1-3-8-5-6-10(11)9(4-2)7-8/h5-7,11H,3-4H2,1-2H3",C10H14O,,,,,,LMLAXOBGXCTWBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.108,213-319-7,936-91-4,"[1S-(1a,3ß,5ß,7a)]-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane","3,8,8-trimethyl-4-oxatricyclo[5.1.0.0~3,5~]octane",CC1(C)C2CC3OC3(C)CC12,CC1(C)C2CC3OC3(C)CC12,"InChI=1/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,AGHSZSJVJPSERC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.112,213-323-9,937-20-2,"2,4'-dichloroacetophenone",2-chloro-1-(4-chlorophenyl)ethanone,ClCC(=O)c1ccc(Cl)cc1,ClCC(=O)c1ccc(Cl)cc1,"InChI=1/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",C8H6Cl2O,,,,,,FWDFNLVLIXAOMX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.117,213-329-1,937-41-7,Phenyl acrylate,phenyl acrylate,C=CC(=O)Oc1ccccc1,C=CC(=O)Oc1ccccc1,"InChI=1/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2",C9H8O2,,,,,,WRAQQYDMVSCOTE-UHFFFAOYSA-N,,,,,,,,,,,
100.005.800,206-379-0,334-50-9,4-azoniaoctamethylenediammonium trichloride,"N-(3-aminopropyl)butane-1,4-diamine",NCCCCNCCCN,NCCCCNCCCN,"InChI=1/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",C7H19N3.3ClH,,,,,,ATHGHQPFGPMSJY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.808,206-387-4,335-35-3,"2,2,3,3,4,4,5,5,6-nonafluoro-6-(heptafluoropropyl)tetrahydro-2H-pyran","2,2,3,3,4,4,5,5,6-nonafluoro-6-(heptafluoropropyl)tetrahydro-2H-pyran",FC(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C8F16O/c9-1(10)2(11,12)6(19,25-8(23,24)5(1,17)18)3(13,14)4(15,16)7(20,21)22",C8F16O,,,,,,KEDSBJOHAWJRQU-UHFFFAOYSA-N,,,,,,,,,,,
100.005.809,206-389-5,335-36-4,"2,2,3,3,4,4,5-heptafluorotetrahydro-5-(nonafluorobutyl)furan","2,2,3,3,4,4,5-heptafluoro-5-(nonafluorobutyl)tetrahydrofuran",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F,"InChI=1/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6",C8F16O,,,,,,FYJQJMIEZVMYSD-UHFFFAOYSA-N,,,,,,,,,,,
100.005.812,206-392-1,335-57-9,Perfluoroheptane,hexadecafluoroheptane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23",C7F16,,,,,,LGUZHRODIJCVOC-UHFFFAOYSA-N,,,,,,,,,,,
100.005.815,206-395-8,335-65-9,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H",C8HF17,,,,,,KBHBUUBXEQUIMV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.820,206-401-9,335-77-3,Henicosafluorodecanesulphonic acid,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)",C10HF21O3S,,,,,,HYWZIAVPBSTISZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.826,206-408-7,336-19-6,"1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohexene","1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohexene",FC1(F)C(=C(Cl)C(F)(F)C(F)(F)C1(F)F)Cl,FC1(F)C(=C(Cl)C(F)(F)C(F)(F)C1(F)F)Cl,"InChI=1/C6Cl2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10",C6Cl2F8,,,,,,BICOGOBTBGYGFA-UHFFFAOYSA-N,,,,,,,,,,,
100.005.833,206-416-0,338-38-5,Tetrapropylammonium tetrafluoroborate,"N,N,N-tripropylpropan-1-aminium tetrafluoroborate",CCC[N+](CCC)(CCC)CCC.F[B-](F)(F)F,CCC[N+](CCC)(CCC)CCC.F[B-](F)(F)F,"InChI=1/C12H28N.BF4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;/q+1;-1",C12H28N.BF4,,,,,,ADADJCUTHQJPCB-UHFFFAOYSA-N,,,,,,,,,,,
100.005.836,206-419-7,338-81-8,"Perfluoro-N,N-bis(perfluoroethyl)propylamine","1,1,2,2,3,3,3-heptafluoro-N,N-bis(pentafluoroethyl)propan-1-amine",FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7F17N/c8-1(9,2(10,11)12)5(19,20)25(6(21,22)3(13,14)15)7(23,24)4(16,17)18",C7F17N,,,,,,DMCQAUFFUCJXEL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.838,206-421-8,338-84-1,Tris(undecafluoropentyl)amine,"1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(undecafluoropentyl)pentan-1-amine",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15F33N/c16-1(17,4(22,23)10(34,35)36)7(28,29)13(43,44)49(14(45,46)8(30,31)2(18,19)5(24,25)11(37,38)39)15(47,48)9(32,33)3(20,21)6(26,27)12(40,41)42",C15F33N,,,,,,AQZYBQIAUSKCCS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.840,206-423-9,338-98-7,Isoflupredone 21-acetate,"9-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,"InChI=1/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3",C23H29FO6,,,,,,ZOCUOMKMBMEYQV-UHFFFAOYSA-N,,,,,,,,,,,
100.005.848,206-432-8,340-57-8,Mecloqualone,3-(2-chlorophenyl)-2-methylquinazolin-4(3H)-one,CC1=Nc2ccccc2C(=O)N1c3ccccc3Cl,CC1=Nc2ccccc2C(=O)N1c3ccccc3Cl,"InChI=1/C15H11ClN2O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,1H3",C15H11ClN2O,,,,,,SFITWQDBYUMAPS-UHFFFAOYSA-N,,,,,,,,,,,
100.005.861,206-446-4,343-94-2,2-(indol-3-yl)ethylamine hydrochloride,2-(1H-indol-3-yl)ethanamine hydrochloride,Cl.NCCc1c[nH]c2ccccc12,Cl.NCCc1c[nH]c2ccccc12,"InChI=1/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H",C10H12N2.ClH,,,,,,KDFBGNBTTMPNIG-UHFFFAOYSA-N,,,,,,,,,,,
100.005.864,206-450-6,344-07-0,Chloropentafluorobenzene,"1-chloro-2,3,4,5,6-pentafluorobenzene",Fc1c(F)c(F)c(Cl)c(F)c1F,Fc1c(F)c(F)c(Cl)c(F)c1F,InChI=1/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6ClF5,,,,,,KGCDGLXSBHJAHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.865,206-451-1,344-20-7,"2,6-dibromo-4-fluorophenol","2,6-dibromo-4-fluorophenol",Oc1c(Br)cc(F)cc1Br,Oc1c(Br)cc(F)cc1Br,"InChI=1/C6H3Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H",C6H3Br2FO,,,,,,RRAZCUUOWIDAJS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.651,211-714-9,690-08-4,"(E)-4,4-dimethylpent-2-ene","4,4-dimethylpent-2-ene",C\\C=C\\C(C)(C)C,C\C=C\C(C)(C)C,"InChI=1/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3",C7H14,,,,,,BIDIHFPLDRSAMB-AATRIKPKSA-N,,,,,,,,,,,
100.010.654,211-718-0,690-78-8,"2-oxopropane-1,3-disulphonic acid","2-oxopropane-1,3-disulfonic acid",OS(=O)(=O)CC(=O)CS(=O)(=O)O,OS(=O)(=O)CC(=O)CS(=O)(=O)O,"InChI=1/C3H6O7S2/c4-3(1-11(5,6)7)2-12(8,9)10/h1-2H2,(H,5,6,7)(H,8,9,10)",C3H6O7S2,,,,,,BFSIDIWZBQSIHF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.660,211-724-3,691-93-0,Isopropyl 3-chloropropionate,isopropyl 3-chloropropanoate,CC(C)OC(=O)CCCl,CC(C)OC(=O)CCCl,"InChI=1/C6H11ClO2/c1-5(2)9-6(8)3-4-7/h5H,3-4H2,1-2H3",C6H11ClO2,,,,,,YPAMSUOJRFMSIA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.663,211-728-5,692-24-0,(E)-2-methylhex-3-ene,2-methylhex-3-ene,CC\\C=C\\C(C)C,CC\C=C\C(C)C,"InChI=1/C7H14/c1-4-5-6-7(2)3/h5-7H,4H2,1-3H3",C7H14,,,,,,IQANHWBWTVLDTP-AATRIKPKSA-N,,,,,,,,,,,
100.010.667,211-732-7,692-50-2,"1,1,1,4,4,4-hexafluorobut-2-yne","1,1,1,4,4,4-hexafluorobut-2-yne",FC(F)(F)C#CC(F)(F)F,FC(F)(F)C#CC(F)(F)F,"InChI=1/C4F6/c5-3(6,7)1-2-4(8,9)10",C4F6,,,,,,WBCLXFIDEDJGCC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.670,211-735-3,692-96-6,(E)-2-methylhept-3-ene,2-methylhept-3-ene,CCC\\C=C\\C(C)C,CCC\C=C\C(C)C,"InChI=1/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3",C8H16,,,,,,CYEZJYAMLNTSKN-VOTSOKGWSA-N,,,,,,,,,,,
100.010.674,211-740-0,693-05-0,3-methylaminopropionitrile,3-(methylamino)propanenitrile,CNCCC#N,CNCCC#N,"InChI=1/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3",C4H8N2,,,,,,UNIJBMUBHBAUET-UHFFFAOYSA-N,,,,,,,,,,,
100.010.675,211-741-6,693-06-1,N-2-hydroxyethylformamide,N-(2-hydroxyethyl)formamide,OCCNC=O,OCCNC=O,"InChI=1/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)",C3H7NO2,,,,,,BAMUPQJDKBGDPU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.682,211-748-4,693-33-4,(carboxylatomethyl)hexadecyldimethylammonium,[hexadecyl(dimethyl)ammonio]acetate,CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20(22)23/h4-19H2,1-3H3",C20H41NO2,,,,,,TYIOVYZMKITKRO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.488,211-535-6,659-49-4,4-nitrosoaniline,4-nitrosoaniline,Nc1ccc(cc1)N=O,Nc1ccc(cc1)N=O,"InChI=1/C6H6N2O/c7-5-1-3-6(8-9)4-2-5/h1-4H,7H2",C6H6N2O,,,,,,SALQMMXSINGXMI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.490,211-537-7,660-23-1,"Dichloromethyl[3-(2,2,2-trifluoroethoxy)propyl]silane","(dichloromethyl)[3-(2,2,2-trifluoroethoxy)propyl]silane",FC(F)(F)COCCC[SiH2]C(Cl)Cl,FC(F)(F)COCCC[SiH2]C(Cl)Cl,"InChI=1/C6H11Cl2F3OSi/c7-5(8)13-3-1-2-12-4-6(9,10)11/h5H,1-4,13H2",C6H11Cl2F3OSi,,,,,,NFMHRTSRTMHNMX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.491,211-538-2,660-27-5,Diisopropylammonium dichloroacetate,N-isopropylpropan-2-aminium dichloroacetate,CC(C)[NH2+]C(C)C.[O-]C(=O)C(Cl)Cl,CC(C)[NH2+]C(C)C.[O-]C(=O)C(Cl)Cl,"InChI=1/C6H15N.C2H2Cl2O2/c1-5(2)7-6(3)4;3-1(4)2(5)6/h5-7H,1-4H3;1H,(H,5,6)",C6H15N.C2H2Cl2O2,,,,,,ILKBHIBYKSHTKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.497,211-545-0,661-11-0,1-fluoroheptane,1-fluoroheptane,CCCCCCCF,CCCCCCCF,"InChI=1/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3",C7H15F,,,,,,BITLXSQYFZTQGC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.504,211-552-9,662-01-1,"1,3-dichloro-1,1,2,2,3,3-hexafluoropropane","1,3-dichloro-1,1,2,2,3,3-hexafluoropropane",FC(F)(Cl)C(F)(F)C(F)(F)Cl,FC(F)(Cl)C(F)(F)C(F)(F)Cl,"InChI=1/C3Cl2F6/c4-2(8,9)1(6,7)3(5,10)11",C3Cl2F6,,,,,,JETINLPZEWINFD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.506,211-555-5,663-95-6,"(1ß,3ß,5ß)-3-[(6-deoxy-3-O-methyl-a-L-talopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolide","3-[(6-deoxy-3-O-methyl-alpha-L-talopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolide",CO[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@@H]1O,CO[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@@H]1O,"InChI=1/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3",C30H46O9,,,,,,DKYDBQQIQAPGMH-XGOVAQEESA-N,,,,,,,,,,,
100.010.512,211-561-8,665-98-5,"Dichlorobis(3,3,3-trifluoropropyl)silane","dichloro[bis(3,3,3-trifluoropropyl)]silane",FC(F)(F)CC[Si](Cl)(Cl)CCC(F)(F)F,FC(F)(F)CC[Si](Cl)(Cl)CCC(F)(F)F,"InChI=1/C6H8Cl2F6Si/c7-15(8,3-1-5(9,10)11)4-2-6(12,13)14/h1-4H2",C6H8Cl2F6Si,,,,,,RUWVYOFYCWPDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.517,211-567-0,667-27-6,Ethyl bromodifluoroacetate,ethyl bromo(difluoro)acetate,CCOC(=O)C(F)(F)Br,CCOC(=O)C(F)(F)Br,"InChI=1/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",C4H5BrF2O2,,,,,,IRSJDVYTJUCXRV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.519,211-569-1,667-83-4,"(+)-N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutyramide","N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide",CCOCCCNC(=O)C(O)C(C)(C)CO,CCOCCCNC(=O)C(O)C(C)(C)CO,"InChI=1/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)",C11H23NO4,,,,,,MRAMPOPITCOOIN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.523,208-274-5,519-65-3,N'-acetyl-2-(dimethylamino)-N'-methyl-2-oxo-N-phenylacetohydrazide,"2-(2-acetyl-2-methyl-1-phenylhydrazino)-N,N-dimethyl-2-oxoacetamide",CN(C)C(=O)C(=O)N(N(C)C(=O)C)c1ccccc1,CN(C)C(=O)C(=O)N(N(C)C(=O)C)c1ccccc1,"InChI=1/C13H17N3O3/c1-10(17)15(4)16(11-8-6-5-7-9-11)13(19)12(18)14(2)3/h5-9H,1-4H3",C13H17N3O3,,,,,,IRTZMJWVZQYURE-UHFFFAOYSA-N,Positive,EA270801|EA270802|EA270803|EA270804|EA270805|EA270806|EA270807|EA270808|EA270809|EA270810|EA270811|EA270812|EA270813|EA270814,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,222.1239:191.0816:236.1393|222.1239:191.0816:264.1344|191.0816:72.0444:222.1238|72.0445:191.0817:149.0711|72.0444:149.071:163.0866|72.0445:149.0711:92.0496|72.0444:65.0386:92.0495|222.1239:191.0817:264.1343|191.0816:72.0444:222.1237|72.0444:191.0816:149.071|72.0444:149.071:92.0495|72.0444:149.0709:92.0494|72.0445:65.0386:134.0475|222.1238:191.0815:236.1392,Eawag,,,,,
100.007.524,208-275-0,519-73-3,Triphenylmethane,"1,1',1''-methanetriyltribenzene",c1ccc(cc1)C(c2ccccc2)c3ccccc3,c1ccc(cc1)C(c2ccccc2)c3ccccc3,"InChI=1/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H",C19H16,,,,,,AAAQKTZKLRYKHR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.526,208-277-1,519-87-9,"N,N-diphenylacetamide","N,N-diphenylacetamide",CC(=O)N(c1ccccc1)c2ccccc2,CC(=O)N(c1ccccc1)c2ccccc2,"InChI=1/C14H13NO/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3",C14H13NO,,,,,,DKLYDESVXZKCFI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.534,208-286-0,520-12-7,"5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4-benzopyrone","5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one",COc1ccc(cc1)C2=CC(=O)c3c(O)c(OC)c(O)cc3O2,COc1ccc(cc1)C2=CC(=O)c3c(O)c(OC)c(O)cc3O2,"InChI=1/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3",C17H14O6,,,,,,GPQLHGCIAUEJQK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.539,208-291-8,520-34-3,"5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone","5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one",COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2,COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2,"InChI=1/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",C16H12O6,,,,,,MBNGWHIJMBWFHU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.548,208-301-0,521-10-8,Methandriol,"17-methylandrost-5-ene-3,17-diol",O[C@@H]3C\\C4=C\\C[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)CC3,O[C@@H]3C\C4=C\C[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)CC3,"InChI=1/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3",C20H32O2,,,,,,WRWBCPJQPDHXTJ-DTMQFJJTSA-N,,,,,,,,,,,
100.007.549,208-302-6,521-11-9,Mestanolone,17-hydroxy-17-methylandrostan-3-one,O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)CC3,O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)CC3,"InChI=1/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3",C20H32O2,,,,,,WYZDXEKUWRCKOB-YDSAWKJFSA-N,,,,,,,,,,,
100.007.556,208-309-4,521-31-3,"5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione","5-aminophthalazine-1,4-diol",Nc1cccc2c(O)nnc(O)c12,Nc1cccc2c(O)nnc(O)c12,"InChI=1/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)",C8H7N3O2,,,,,,HWYHZTIRURJOHG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.558,208-312-0,521-39-1,"1,3-dihydro-1,4,10-trihydroxy-5-(hydroxymethyl)-8-methyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde","1,4,10-trihydroxy-5-(hydroxymethyl)-8-methyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carbaldehyde",Cc1cc(O)c(C=O)c2Oc3c(OC(=O)c12)c(CO)c(O)c4C(=O)OC(O)c34,Cc1cc(O)c(C=O)c2Oc3c(OC(=O)c12)c(CO)c(O)c4C(=O)OC(O)c34,"InChI=1/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3",C18H12O10,,,,,,QQTKVXCQLZIJPP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.560,208-314-1,521-52-8,"Methyl 2-(3,5-dioxo-4-phenyl-2-furylidene)-2-phenylacetate","3,20-dioxopregn-4-en-21-yl acetate",CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,"InChI=1/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3",C19H14O5,,,,,,VPGRYOFKCNULNK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.375,209-211-4,560-54-3,"(3ß,5ß)-3,5,14,19-tetrahydroxycard-20(22)-enolide","3,5,14,19-tetrahydroxycard-20(22)-enolide",C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5,C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5,"InChI=1/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3",C23H34O6,,,,,,ZNDMLUUNNNHNKC-HZXDTFASSA-N,,,,,,,,,,,
100.008.378,209-215-6,561-20-6,Cacotheline,"(9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl)acetic acid (non-preferred name)",[O-][N+](=O)C=6C(=O)C(=O)\\C=C1/C=6N[C@H]2[C@@H]4[C@H](CC(O)=O)OC\\C=C3/CN5CC[C@]12[C@@H]5C[C@@H]34,[O-][N+](=O)C=6C(=O)C(=O)\C=C1/C=6N[C@H]2[C@@H]4[C@H](CC(O)=O)OC\C=C3/CN5CC[C@]12[C@@H]5C[C@@H]34,"InChI=1/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)",C21H21N3O7,,,,,,IVEMPCACOMNRGI-OFDJEBHLSA-N,,,,,,,,,,,
100.008.392,209-230-8,562-49-2,"3,3-dimethylpentane","3,3-dimethylpentane",CCC(C)(C)CC,CCC(C)(C)CC,"InChI=1/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3",C7H16,,,,,,AEXMKKGTQYQZCS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.394,209-232-9,562-68-5,O-ß-D-fructofuranosyl-(2<U+2192>6)-ß-D-fructofuranosyl-a-D-glucopyranoside,hex-2-ulofuranosyl hex-2-ulofuranosyl-(2->6)hexopyranoside,OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O,OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O,"InChI=1/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2",C18H32O16,,,,,,HQFMTRMPFIZQJF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.120,213-332-8,937-62-2,p-tolyl chloroformate,4-methylphenyl chlorocarbonate,Cc1ccc(OC(=O)Cl)cc1,Cc1ccc(OC(=O)Cl)cc1,"InChI=1/C8H7ClO2/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3",C8H7ClO2,,,,,,XOFZPIYYMJUNRG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.122,213-334-9,937-64-4,O-p-chlorophenyl chlorothioformate,O-(4-chlorophenyl) chlorothiocarbonate,ClC(=S)Oc1ccc(Cl)cc1,ClC(=S)Oc1ccc(Cl)cc1,InChI=1/C7H4Cl2OS/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,C7H4Cl2OS,,,,,,BQIABQCJXBELMT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.128,213-341-7,938-33-0,Methyl 8-quinolyl ether,8-methoxyquinoline,COc1cccc2cccnc12,COc1cccc2cccnc12,"InChI=1/C10H9NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3",C10H9NO,,,,,,ZLKGGEBOALGXJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.131,213-344-3,938-55-6,6-dimethylaminopurine,"N,N-dimethyl-9H-purin-6-amine",CN(C)c1ncnc2[nH]cnc12,CN(C)c1ncnc2[nH]cnc12,"InChI=1/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)",C7H9N5,,,,,,BVIAOQMSVZHOJM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.133,213-346-4,938-73-8,Ethenzamide,2-ethoxybenzamide,CCOc1ccccc1C(=O)N,CCOc1ccccc1C(=O)N,"InChI=1/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)",C9H11NO2,,,,,,SBNKFTQSBPKMBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.136,213-350-6,938-91-0,"1,3-dimethyl-1-phenylurea","1,3-dimethyl-1-phenylurea",CNC(=O)N(C)c1ccccc1,CNC(=O)N(C)c1ccccc1,"InChI=1/C9H12N2O/c1-10-9(12)11(2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)",C9H12N2O,,,,,,ZWOULFZCQXICLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.140,213-354-8,939-06-0,"4,5-dihydro-4-methyl-2-phenyl-1H-imidazole","4-methyl-2-phenyl-4,5-dihydro-1H-imidazole",CC1CNC(=N1)c2ccccc2,CC1CNC(=N1)c2ccccc2,"InChI=1/C10H12N2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)",C10H12N2,,,,,,JJUVAPMVTXLLFR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.145,213-360-0,939-27-5,2-ethylnaphthalene,2-ethylnaphthalene,CCc1ccc2ccccc2c1,CCc1ccc2ccccc2c1,"InChI=1/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3",C12H12,,,,,,RJTJVVYSTUQWNI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.147,213-362-1,939-52-6,4-chlorobutyrophenone,1-(4-chlorophenyl)butan-1-one,CCCC(=O)c1ccc(Cl)cc1,CCCC(=O)c1ccc(Cl)cc1,"InChI=1/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3",C10H11ClO,,,,,,XLCJPQYALLFIPW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.154,213-370-5,940-31-8,2-phenoxypropionic acid,2-phenoxypropanoic acid,CC(Oc1ccccc1)C(=O)O,CC(Oc1ccccc1)C(=O)O,"InChI=1/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)",C9H10O3,,,,,,SXERGJJQSKIUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.155,213-371-0,940-41-0,Trichloro(2-phenylethyl)silane,trichloro(2-phenylethyl)silane,Cl[Si](Cl)(Cl)CCc1ccccc1,Cl[Si](Cl)(Cl)CCc1ccccc1,"InChI=1/C8H9Cl3Si/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9Cl3Si,,,,,,FMYXZXAKZWIOHO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.157,213-373-1,940-62-5,(E)-p-chlorocinnamic acid,3-(4-chlorophenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(Cl)cc1,OC(=O)\C=C\c1ccc(Cl)cc1,"InChI=1/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)",C9H7ClO2,,,,,,GXLIFJYFGMHYDY-ZZXKWVIFSA-N,,,,,,,,,,,
100.012.158,213-374-7,940-64-7,(4-methylphenoxy)acetic acid,(4-methylphenoxy)acetic acid,Cc1ccc(OCC(=O)O)cc1,Cc1ccc(OCC(=O)O)cc1,"InChI=1/C9H10O3/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O3,,,,,,SFTDDFBJWUWKMN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.159,213-375-2,940-69-2,"5-(1,2-dithiolan-3-yl)valeramide","5-(1,2-dithiolan-3-yl)pentanamide",NC(=O)CCCCC1CCSS1,NC(=O)CCCCC1CCSS1,"InChI=1/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)",C8H15NOS2,,,,,,FCCDDURTIIUXBY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.687,211-754-7,693-57-2,12-aminododecanoic acid,12-aminododecanoic acid,NCCCCCCCCCCCC(=O)O,NCCCCCCCCCCCC(=O)O,"InChI=1/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)",C12H25NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12579,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.687,PBLZLIFKVPJDCO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.693,211-761-5,693-83-4,Didecyl sulphide,"1,1'-sulfanediyldidecane",CCCCCCCCCCSCCCCCCCCCC,CCCCCCCCCCSCCCCCCCCCC,"InChI=1/C20H42S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",C20H42S,,,,,,RKYMVQJWYYOIJB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.694,211-762-0,693-89-0,1-methylcyclopentene,1-methylcyclopentene,CC1=CCCC1,CC1=CCCC1,"InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",C6H10,,,,,,ATQUFXWBVZUTKO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.695,211-763-6,693-93-6,4-methyloxazole,"4-methyl-1,3-oxazole",Cc1cocn1,Cc1cocn1,"InChI=1/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3",C4H5NO,,,,,,PUMREIFKTMLCAF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.696,211-764-1,693-95-8,4-methylthiazole,"4-methyl-1,3-thiazole",Cc1cscn1,Cc1cscn1,"InChI=1/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3",C4H5NS,,,,,,QMHIMXFNBOYPND-UHFFFAOYSA-N,,,,,,,,,,,
100.010.698,211-766-2,694-05-3,"1,2,3,6-tetrahydropyridine","1,2,3,6-tetrahydropyridine",C1CC=CCN1,C1CC=CCN1,"InChI=1/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2",C5H9N,,,,,,FTAHXMZRJCZXDL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.869,206-455-3,345-16-4,5-fluorosalicylic acid,5-fluoro-2-hydroxybenzoic acid,OC(=O)c1cc(F)ccc1O,OC(=O)c1cc(F)ccc1O,"InChI=1/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)",C7H5FO3,,,,,,JWPRICQKUNODPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.871,206-457-4,345-18-6,4-chloro-1-fluoro-2-nitrobenzene,4-chloro-1-fluoro-2-nitrobenzene,[O-][N+](=O)c1cc(Cl)ccc1F,[O-][N+](=O)c1cc(Cl)ccc1F,InChI=1/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,C6H3ClFNO2,,,,,,DIAWBHLTWNWYGR-UHFFFAOYSA-N,,,,,,,,,,,
100.005.874,206-461-6,345-55-1,"1-(2'-fluoro[1,1'-biphenyl]-4-yl)ethan-1-one",1-(2'-fluorobiphenyl-4-yl)ethanone,CC(=O)c1ccc(cc1)c2ccccc2F,CC(=O)c1ccc(cc1)c2ccccc2F,"InChI=1/C14H11FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-9H,1H3",C14H11FO,,,,,,PASUFCLLJYIBHP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.879,207-565-4,481-37-8,Ecgonine,3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid,CN1C2CCC1C([C@@H](O)C2)C(=O)O,CN1C2CCC1C([C@@H](O)C2)C(=O)O,"InChI=1/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)",C9H15NO3,,,,,,PHMBVCPLDPDESM-UWWAEOQPSA-N,,,,,,,,,,,
100.006.884,207-571-7,481-72-1,"1,8-dihydroxy-3-(hydroxymethyl)anthraquinone","1,8-dihydroxy-3-(hydroxymethyl)-9,10-anthraquinone",OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,"InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2",C15H10O5,,,,,,YDQWDHRMZQUTBA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.886,207-573-8,481-85-6,"2-methylnaphthalene-1,4-diol","2-methylnaphthalene-1,4-diol",Cc1cc(O)c2ccccc2c1O,Cc1cc(O)c2ccccc2c1O,"InChI=1/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3",C11H10O2,,,,,,ZJTLZYDQJHKRMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.891,207-579-0,482-28-0,Cinchonamine,2-[2-(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)-1H-indol-3-yl]ethanol,OCCc1c([nH]c2ccccc12)[C@@H]3CC4CCN3C[C@@H]4C=C,OCCc1c([nH]c2ccccc12)[C@@H]3CC4CCN3C[C@@H]4C=C,"InChI=1/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2",C19H24N2O,,,,,,YAUKSCGKZYUZRH-LWINWCPBSA-N,,,,,,,,,,,
100.005.535,206-087-3,300-08-3,Arecoline hydrobromide,"methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide",Br.COC(=O)C1=CCCN(C)C1,Br.COC(=O)C1=CCCN(C)C1,"InChI=1/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H",C8H13NO2.BrH,,,,,,AXOJRQLKMVSHHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.548,206-101-8,300-92-5,Hydroxyaluminium distearate,aluminum hydroxide dioctadecanoate,CCCCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+3;/p-3/rC36H71AlO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(38)41-37(40)42-36(39)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40H,3-34H2,1-2H3",C36H71AlO5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17606,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.548,RDIVANOKKPKCTO-UHFFFAOYSA-K,,,,,,,,,,,
100.005.554,206-108-6,301-10-0,Tin bis(2-ethylhexanoate),-,[Sn+4].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Sn+4].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+4/p-2",C8H16O2.1/2Sn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2082,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.554,YWFZVHDKSJFELE-UHFFFAOYSA-L,,,,,,,,,,,
100.005.555,206-109-1,301-11-1,2-thiocyanatoethyl laurate,2-thiocyanatoethyl laurate,CCCCCCCCCCCC(=O)OCCSC#N,CCCCCCCCCCCC(=O)OCCSC#N,"InChI=1/C15H27NO2S/c1-2-3-4-5-6-7-8-9-10-11-15(17)18-12-13-19-14-16/h2-13H2,1H3",C15H27NO2S,,,,,,DXTLBEQSVNRVKT-UHFFFAOYSA-N,,,,,,,,,,,
100.005.556,206-110-7,301-12-2,Oxydemeton-methyl,"S-[2-(ethylsulfinyl)ethyl] O,O-dimethyl thiophosphate",CCS(=O)CCSP(=O)(OC)OC,CCS(=O)CCSP(=O)(OC)OC,"InChI=1/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3",C6H15O4PS2,,,,,,PMCVMORKVPSKHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.005.563,206-118-0,302-22-7,Chlormadinone acetate,"6-chloro-3,20-dioxopregna-4,6-dien-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3",C23H29ClO4,,,,,,QMBJSIBWORFWQT-DFXBJWIESA-N,,,,,,,,,,,
100.005.564,206-119-6,302-23-8,Hydroxyprogesterone acetate,"3,20-dioxopregn-4-en-17-yl acetate",CC(=O)[C@]2(CC[C@H]3[C@@H]4CC\\C1=C\\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C)OC(C)=O,CC(=O)[C@]2(CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C)OC(C)=O,"InChI=1/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3",C23H32O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13269,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.564,VTHUYJIXSMGYOQ-KOORYGTMSA-N,,,,,,,,,,,
100.005.569,206-124-3,302-41-0,Piritramide,"1'-(3-cyano-3,3-diphenylpropyl)-1,4'-bipiperidine-4'-carboxamide",NC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)N4CCCCC4,NC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)N4CCCCC4,"InChI=1/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)",C27H34N4O,,,,,,IHEHEFLXQFOQJO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.521,211-571-2,668-45-1,2-chloro-6-fluorobenzonitrile,2-chloro-6-fluorobenzonitrile,Fc1cccc(Cl)c1C#N,Fc1cccc(Cl)c1C#N,InChI=1/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,C7H3ClFN,,,,,,XPTAYRHLHAFUOS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.527,211-578-0,670-54-2,Ethylenetetracarbonitrile,"ethene-1,1,2,2-tetracarbonitrile",N#CC(=C(C#N)C#N)C#N,N#CC(=C(C#N)C#N)C#N,InChI=1/C6N4/c7-1-5(2-8)6(3-9)4-10,C6N4,,,,,,NLDYACGHTUPAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.538,211-590-6,672-15-1,L-homoserine,L-homoserine,N[C@@H](CCO)C(=O)O,N[C@@H](CCO)C(=O)O,"InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)",C4H9NO3,,,,,,UKAUYVFTDYCKQA-VKHMYHEASA-N,,,,,,,,,,,
100.011.266,212-392-2,813-97-8,Tristrontium dicitrate,tristrontium dicitrate,[Sr+2].[Sr+2].[Sr+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Sr+2].[Sr+2].[Sr+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Sr/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.Sr,,,,,,QGAPCDHPGCYAKM-UHFFFAOYSA-H,,,,,,,,,,,
100.011.270,212-396-4,814-49-3,Diethyl phosphorochloridate,diethyl chlorophosphate,CCOP(=O)(Cl)OCC,CCOP(=O)(Cl)OCC,"InChI=1/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3",C4H10ClO3P,,,,,,LGTLXDJOAJDFLR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.273,212-400-4,814-70-0,Lead dipropionate,-,[Pb+2].CCC(=O)[O-].[O-]C(=O)CC,[Pb+2].CCC(=O)[O-].[O-]C(=O)CC,"InChI=1/2C3H6O2.Pb.2H/c2*1-2-3(4)5;;;/h2*2H2,1H3,(H,4,5);;;/q;;+4;;/p-2/r2C3H6O2.H2Pb/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);1H2/q;;+4/p-2",C3H6O2.1/2Pb,,,,,,FYDIWJWWROEQCB-UHFFFAOYSA-L,,,,,,,,,,,
100.011.277,212-405-1,814-78-8,3-methylbut-3-en-2-one,3-methylbut-3-en-2-one,CC(=C)C(=O)C,CC(=C)C(=O)C,"InChI=1/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3",C5H8O,,,,,,ZGHFDIIVVIFNPS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.282,212-410-9,814-90-4,Chromium oxalate (1:1),chromium(2+) oxalate,[Cr].[O-]C(=O)C(=O)[O-],[Cr].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Cr/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Cr,,,,,,BNQYBOIDDNFHHC-UHFFFAOYSA-L,,,,,,,,,,,
100.011.283,212-411-4,814-91-5,Copper oxalate,copper(2+) oxalate,[Cu+2].[O-]C(=O)C([O-])=O,[Cu+2].[O-]C(=O)C([O-])=O,"InChI=1/C2H2O4.Cu/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Cu,,,,,,QYCVHILLJSYYBD-UHFFFAOYSA-L,,,,,,,,,,,
100.011.296,212-426-6,815-84-9,Lead tartrate,"lead(4+) bis(2,3-dihydroxysuccinate)",[Pb+2].O=C([O-])C(O)C(O)C([O-])=O,[Pb+2].O=C([O-])C(O)C(O)C([O-])=O,"InChI=1/C4H6O6.Pb.2H/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+4;;/p-2/rC4H6O6.H2Pb/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H2/q;+4/p-2",C4H6O6.Pb,,,,,,AYPZCTCULRIASE-UHFFFAOYSA-L,,,,,,,,,,,
100.011.299,212-429-2,816-19-3,Methyl 2-ethylhexanoate,methyl 2-ethylhexanoate,CCCCC(CC)C(=O)OC,CCCCC(CC)C(=O)OC,"InChI=1/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3",C9H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5945,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.299,KICUISADAVMYCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.304,212-435-5,816-66-0,4-methyl-2-oxovaleric acid,4-methyl-2-oxopentanoic acid,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O,"InChI=1/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",C6H10O3,,,,,,BKAJNAXTPSGJCU-UHFFFAOYSA-N,Negative,,,,,,ML001951,[M-H]-,HCD50,129.0555:129.0197:85.0295,MetaboLights
100.011.305,212-436-0,816-68-2,Lead malate,lead(4+) bis(2-hydroxysuccinate),[Pb+2].[O-]C(=O)CC(O)C([O-])=O,[Pb+2].[O-]C(=O)CC(O)C([O-])=O,"InChI=1/C4H6O5.Pb.2H/c5-2(4(8)9)1-3(6)7;;;/h2,5H,1H2,(H,6,7)(H,8,9);;;/q;+4;;/p-2/rC4H6O5.H2Pb/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);1H2/q;+4/p-2",C4H6O5.Pb,,,,,,AQVKIYUWIAJIOT-UHFFFAOYSA-L,,,,,,,,,,,
100.011.306,212-437-6,816-73-9,2-methylallyl isobutyrate,2-methylprop-2-en-1-yl 2-methylpropanoate,CC(C)C(=O)OCC(=C)C,CC(C)C(=O)OCC(=C)C,"InChI=1/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h7H,1,5H2,2-4H3",C8H14O2,,,,,,SMCDNXLLJDMHQF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.313,212-444-4,817-60-7,2-ethylheptan-1-ol,2-ethylheptan-1-ol,CCCCCC(CC)CO,CCCCCC(CC)CO,"InChI=1/C9H20O/c1-3-5-6-7-9(4-2)8-10/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,QNJAZNNWHWYOEO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.317,212-449-1,818-08-6,Dibutyltin oxide,dibutyl(oxo)stannane,CCCC[Sn](=O)CCCC,CCCC[Sn](=O)CCCC,"InChI=1/2C4H9.O.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;/rC8H18OSn/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3",C8H18OSn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14790,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.317,JGFBRKRYDCGYKD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.318,212-450-7,818-23-5,Pentadecane-8-one,pentadecan-8-one,CCCCCCCC(=O)CCCCCCC,CCCCCCCC(=O)CCCCCCC,"InChI=1/C15H30O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h3-14H2,1-2H3",C15H30O,,,,,,PQYGSSYFJIJDFK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.114,213-326-5,937-30-4,4-ethylacetophenone,1-(4-ethylphenyl)ethanone,CCc1ccc(cc1)C(=O)C,CCc1ccc(cc1)C(=O)C,"InChI=1/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3",C10H12O,,,,,,NODGRWCMFMEGJH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.396,209-235-5,562-74-3,p-menth-1-en-4-ol,1-isopropyl-4-methylcyclohex-3-en-1-ol,CC(C)C1(O)CCC(=CC1)C,CC(C)C1(O)CCC(=CC1)C,"InChI=1/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",C10H18O,,,,,,WRYLYDPHFGVWKC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.397,209-236-0,562-76-5,Dipotassium tetracyanoplatinate,dipotassium tetrakis(cyano-kappaC)platinate(2-),[K+].[K+].N#C[Pt-2](C#N)(C#N)C#N,[K+].[K+].N#C[Pt-2](C#N)(C#N)C#N,"InChI=1/4CN.2K.Pt/c4*1-2;;;/q;;;;2*+1;/rC4N4Pt.2K/c5-1-9(2-6,3-7)4-8;;/q;2*+1",C4N4Pt.2K,,,,,,GPNDCURIWOPVTF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.400,209-239-7,562-90-3,Tetraacetoxysilane,tetraacetyl orthosilicate,CC(=O)O[Si](OC(=O)C)(OC(=O)C)OC(=O)C,CC(=O)O[Si](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1/C8H12O8Si/c1-5(9)13-17(14-6(2)10,15-7(3)11)16-8(4)12/h1-4H3",C8H12O8Si,,,,,,YZVRVDPMGYFCGL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.405,209-244-4,563-17-7,Potassium ethyl sulphate,potassium ethyl sulfate,[K+].CCOS(=O)(=O)[O-],[K+].CCOS(=O)(=O)[O-],"InChI=1/C2H6O4S.K/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1",C2H6O4S.K,,,,,,FUGINSUSTSZAEY-UHFFFAOYSA-M,,,,,,,,,,,
100.008.409,209-249-1,563-45-1,3-methylbut-1-ene,3-methylbut-1-ene,CC(C)C=C,CC(C)C=C,"InChI=1/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3",C5H10,,,,,,YHQXBTXEYZIYOV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.412,209-252-8,563-52-0,3-chlorobut-1-ene,3-chlorobut-1-ene,CC(Cl)C=C,CC(Cl)C=C,"InChI=1/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3",C4H7Cl,,,,,,VZGLVCFVUREVDP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.423,209-264-3,563-80-4,3-methylbutanone,3-methylbutan-2-one,CC(C)C(=O)C,CC(C)C(=O)C,"InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H3",C5H10O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10392,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.423,SYBYTAAJFKOIEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.426,209-268-5,564-11-4,"2,2,3,3,4,4,5,5,6,6-decafluoro-1-(pentafluoroethyl)piperidine","2,2,3,3,4,4,5,5,6,6-decafluoro-1-(pentafluoroethyl)piperidine",FC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C7F15N/c8-1(9)2(10,11)5(17,18)23(6(19,20)3(1,12)13)7(21,22)4(14,15)16",C7F15N,,,,,,USAAEUHMVCSUQS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.430,209-272-7,564-36-3,Ergocornine,"12'-hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman",CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,"InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)",C31H39N5O5,,,,,,UJYGDMFEEDNVBF-OGGGUQDZSA-N,,,,,,,,,,,
100.008.434,209-276-9,565-33-3,Metahexamide,3-amino-N-(cyclohexylcarbamoyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1N)S(=O)(=O)NC(=O)NC2CCCCC2,Cc1ccc(cc1N)S(=O)(=O)NC(=O)NC2CCCCC2,"InChI=1/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)",C14H21N3O3S,,,,,,XXYTXQGCRQLRHA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.435,209-277-4,565-36-6,3-amino-N-5-chloropyrimidin-2-ylbenzenesulphonamide,3-amino-N-(5-chloropyrimidin-2-yl)benzenesulfonamide,Nc1cccc(c1)S(=O)(=O)Nc2ncc(Cl)cn2,Nc1cccc(c1)S(=O)(=O)Nc2ncc(Cl)cn2,"InChI=1/C10H9ClN4O2S/c11-7-5-13-10(14-6-7)15-18(16,17)9-3-1-2-8(12)4-9/h1-6H,12H2,(H,13,14,15)",C10H9ClN4O2S,,,,,,HWRUOPCDGPXWRR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.436,209-279-5,565-48-0,"cis-4-hydroxy-a,a,4-trimethylcyclohexanemethanol",4-(1-hydroxy-1-methylethyl)-1-methylcyclohexanol,CC(C)(O)[C@@H]1CC[C@](C)(O)CC1,CC(C)(O)[C@@H]1CC[C@](C)(O)CC1,"InChI=1/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3",C10H20O2,,,,,,RBNWAMSGVWEHFP-WAAGHKOSSA-N,,,,,,,,,,,
100.008.443,209-286-3,565-67-3,2-methylpentan-3-ol,2-methylpentan-3-ol,CCC(O)C(C)C,CCC(O)C(C)C,"InChI=1/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3",C6H14O,,,,,,ISTJMQSHILQAEC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.447,209-291-0,565-74-2,2-bromo-3-methylbutyric acid,2-bromo-3-methylbutanoic acid,CC(C)C(Br)C(=O)O,CC(C)C(Br)C(=O)O,"InChI=1/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)",C5H9BrO2,,,,,,UEBARDWJXBGYEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.449,209-293-1,565-79-7,4-hydroxy-3-methylpentan-2-one,4-hydroxy-3-methylpentan-2-one,CC(O)C(C)C(=O)C,CC(O)C(C)C(=O)C,"InChI=1/C6H12O2/c1-4(5(2)7)6(3)8/h4-5,7H,1-3H3",C6H12O2,,,,,,ZXZUCILLTLHIBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.453,209-297-3,566-65-4,"5-a-pregnane-3,20-dione","pregnane-3,20-dione",CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,"InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3",C21H32O2,,,,,,XMRPGKVKISIQBV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.459,209-303-4,567-18-0,1-hydroxynaphthalene-2-sulphonic acid,1-hydroxynaphthalene-2-sulfonic acid,Oc1c(ccc2ccccc12)S(=O)(=O)O,Oc1c(ccc2ccccc12)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6,11H,(H,12,13,14)",C10H8O4S,,,,,,PWJNDVAKQLOWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.702,211-770-4,694-35-9,3-ethylcyclopentene,3-ethylcyclopentene,CCC1CCC=C1,CCC1CCC=C1,"InChI=1/C7H12/c1-2-7-5-3-4-6-7/h3,5,7H,2,4,6H2,1H3",C7H12,,,,,,HICUGGYRYZOXJI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.703,211-772-5,694-53-1,Phenylsilane,phenylsilane,[SiH3]c1ccccc1,[SiH3]c1ccccc1,"InChI=1/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3",C6H8Si,,,,,,PARWUHTVGZSQPD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.708,211-777-2,694-85-9,1-methylpyridine-2-one,1-methylpyridin-2(1H)-one,CN1C=CC=CC1=O,CN1C=CC=CC1=O,"InChI=1/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3",C6H7NO,,,,,,DVVGIUUJYPYENY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.709,211-778-8,695-06-7,Hexan-4-olide,5-ethyldihydrofuran-2(3H)-one,CCC1CCC(=O)O1,CCC1CCC(=O)O1,"InChI=1/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3",C6H10O2,,,,,,JBFHTYHTHYHCDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.711,211-780-9,695-34-1,4-methyl-2-pyridylamine,4-methylpyridin-2-amine,Cc1ccnc(N)c1,Cc1ccnc(N)c1,"InChI=1/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)",C6H8N2,,,,,,ORLGLBZRQYOWNA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.719,211-789-8,696-18-4,1-phenylaziridine,1-phenylaziridine,C1CN1c2ccccc2,C1CN1c2ccccc2,"InChI=1/C8H9N/c1-2-4-8(5-3-1)9-6-7-9/h1-5H,6-7H2",C8H9N,,,,,,YKNKBBMRKMLLJS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.720,211-790-3,696-23-1,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1H-imidazole,Cc1nc(c[nH]1)[N+](=O)[O-],Cc1nc(c[nH]1)[N+](=O)[O-],"InChI=1/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)",C4H5N3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15758,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.720,FFYTTYVSDVWNMY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.724,211-795-0,696-44-6,N-methyl-m-toluidine,"N,3-dimethylaniline",CNc1cccc(C)c1,CNc1cccc(C)c1,"InChI=1/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3",C8H11N,,,,,,FBGJJTQNZVNEQU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.726,211-797-1,696-59-3,"Tetrahydro-2,5-dimethoxyfuran","2,5-dimethoxytetrahydrofuran",COC1CCC(OC)O1,COC1CCC(OC)O1,"InChI=1/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3",C6H12O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16407,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.726,GFISDBXSWQMOND-UHFFFAOYSA-N,,,,,,,,,,,
100.010.728,211-799-2,696-63-9,4-methoxybenzenethiol,4-methoxybenzenethiol,COc1ccc(S)cc1,COc1ccc(S)cc1,"InChI=1/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3",C7H8OS,,,,,,NIFAOMSJMGEFTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.732,211-803-2,697-11-0,Hexafluorocyclobutene,hexafluorocyclobutene,FC1=C(F)C(F)(F)C1(F)F,FC1=C(F)C(F)(F)C1(F)F,"InChI=1/C4F6/c5-1-2(6)4(9,10)3(1,7)8",C4F6,,,,,,QVHWOZCZUNPZPW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.735,211-806-9,697-82-5,"2,3,5-trimethylphenol","2,3,5-trimethylphenol",Cc1cc(C)c(C)c(O)c1,Cc1cc(C)c(C)c(O)c1,"InChI=1/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",C9H12O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19015,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.735,OGRAOKJKVGDSFR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.736,211-807-4,697-83-6,"5-chloro-2,4,6-trifluoropyrimidine","5-chloro-2,4,6-trifluoropyrimidine",Fc1nc(F)c(Cl)c(F)n1,Fc1nc(F)c(Cl)c(F)n1,InChI=1/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7,C4ClF3N2,,,,,,GOYNRDSJTYLXBU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.737,211-809-5,697-88-1,"4-bromo-2,6-dichloroaniline","4-bromo-2,6-dichloroaniline",Nc1c(Cl)cc(Br)cc1Cl,Nc1c(Cl)cc(Br)cc1Cl,"InChI=1/C6H4BrCl2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2",C6H4BrCl2N,,,,,,NPQBZKNXJZARBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.739,211-811-6,698-10-2,5-ethyl-3-hydroxy-4-methylfuran-2(5H)-one,5-ethyl-3-hydroxy-4-methylfuran-2(5H)-one,CCC1OC(=O)C(=C1C)O,CCC1OC(=O)C(=C1C)O,"InChI=1/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3",C7H10O3,,,,,,IUFQZPBIRYFPFD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.541,211-593-2,672-57-1,1-chloro-2-iodo-4-(trifluoromethyl)benzene,1-chloro-2-iodo-4-(trifluoromethyl)benzene,FC(F)(F)c1ccc(Cl)c(I)c1,FC(F)(F)c1ccc(Cl)c(I)c1,"InChI=1/C7H3ClF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H",C7H3ClF3I,,,,,,SSLWFPKNYZEOTH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.547,211-600-9,672-89-9,4-methoxy-6-methyl-2H-pyran-2-one,4-methoxy-6-methyl-2H-pyran-2-one,COC1=CC(=O)OC(=C1)C,COC1=CC(=O)OC(=C1)C,"InChI=1/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3",C7H8O3,,,,,,MTZAUZNQAMNFME-UHFFFAOYSA-N,,,,,,,,,,,
100.010.548,211-601-4,673-04-1,"N,N'-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine","N,N'-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine",CCNc1nc(NCC)nc(OC)n1,CCNc1nc(NCC)nc(OC)n1,"InChI=1/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)",C8H15N5O,,,,,,HKAMKLBXTLTVCN-UHFFFAOYSA-N,Positive,EA066701|EA066702|EA066703|EA066704|EA066705|EA066706|EA066707|EA066708|EA066709|EA066710|EA066711|EA066712|EA066713|EA066714,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,198.1352:114.0663:170.1038|198.1352|198.1351:124.087:170.1039|198.1351:124.087:128.0819|198.1349:128.0819:124.0869|100.0506:128.0819:68.0243|100.0506:68.0243:96.0556|198.135:183.1115|198.135:124.087:114.0663|198.135:128.0819:124.087|198.135:128.0819:124.087|100.0506:128.0819:68.0243|100.0506:68.0243:96.0556|198.135:114.0662:170.1037,Eawag,,,,,
100.010.557,211-611-9,673-66-5,Hexahydroazocin-2(1H)-one,azocan-2-one,O=C1CCCCCCN1,O=C1CCCCCCN1,"InChI=1/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)",C7H13NO,,,,,,CJYXCQLOZNIMFP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.559,211-614-5,673-84-7,"2,6-dimethylocta-2,4,6-triene","2,6-dimethylocta-2,4,6-triene",CC(=CC)C=C\\C=C(\\C)C,CC(=CC)C=C\C=C(\C)C,"InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3",C10H16,,,,,,GQVMHMFBVWSSPF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.568,211-623-4,675-62-7,"Dichloromethyl(3,3,3-trifluoropropyl)silane","dichloro(methyl)(3,3,3-trifluoropropyl)silane",C[Si](Cl)(Cl)CCC(F)(F)F,C[Si](Cl)(Cl)CCC(F)(F)F,"InChI=1/C4H7Cl2F3Si/c1-10(5,6)3-2-4(7,8)9/h2-3H2,1H3",C4H7Cl2F3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5858,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.568,OHABWQNEJUUFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.684,213-951-3,1068-87-7,"3-ethyl-2,4-dimethylpentane","3-ethyl-2,4-dimethylpentane",CCC(C(C)C)C(C)C,CCC(C(C)C)C(C)C,"InChI=1/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3",C9H20,,,,,,VLHAGZNBWKUMRW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.691,213-959-7,1069-57-4,"Guanidine, compound with nitrosopropanedinitrile (1:1)",guanidine - nitrosomalononitrile (1:1),NC(=N)N.O=NC(C#N)C#N,NC(=N)N.O=NC(C#N)C#N,"InChI=1/C3HN3O.CH5N3/c4-1-3(2-5)6-7;2-1(3)4/h3H;(H5,2,3,4)",C3HN3O.CH5N3,,,,,,QTCFHMQAUYHRMG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.694,213-962-3,1069-72-3,2-bromoethyldiethylammonium bromide,"2-bromo-N,N-diethylethanaminium bromide",[Br-].CC[NH+](CC)CCBr,[Br-].CC[NH+](CC)CCBr,"InChI=1/C6H14BrN.BrH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H",C6H14BrN.BrH,,,,,,HLMHCDKXKXBKQK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.695,213-963-9,1069-79-0,"(R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]ethane-1,2-diyl distearate","3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)",C41H82NO8P,,,,,,LVNGJLRDBYCPGB-LDLOPFEMSA-N,,,,,,,,,,,
100.012.698,213-967-0,1070-03-7,2-ethylhexyl dihydrogen phosphate,2-ethylhexyl dihydrogen phosphate,CCCCC(CC)COP(=O)(O)O,CCCCC(CC)COP(=O)(O)O,"InChI=1/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)",C8H19O4P,,,,,,LJKDOMVGKKPJBH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.706,213-975-4,1070-42-4,Bis(2-chloroethyl) phosphonate,bis(2-chloroethyl) phosphonate,ClCCOP(=O)OCCCl,ClCCOP(=O)OCCCl,"InChI=1/C4H9Cl2O3P/c5-1-3-8-10(7)9-4-2-6/h10H,1-4H2",C4H9Cl2O3P,,,,,,JVEYFMWXKWGBJR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.712,213-982-2,1070-83-3,"3,3-dimethylbutyric acid","3,3-dimethylbutanoic acid",CC(C)(C)CC(=O)O,CC(C)(C)CC(=O)O,"InChI=1/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)",C6H12O2,,,,,,MLMQPDHYNJCQAO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.714,213-984-3,1071-17-6,"4,4'-(dichlorosilylene)bis(butyronitrile)","4,4'-(dichlorosilanediyl)dibutanenitrile",Cl[Si](Cl)(CCCC#N)CCCC#N,Cl[Si](Cl)(CCCC#N)CCCC#N,"InChI=1/C8H12Cl2N2Si/c9-13(10,7-3-1-5-11)8-4-2-6-12/h1-4,7-8H2",C8H12Cl2N2Si,,,,,,CVFGRDOVEFUBES-UHFFFAOYSA-N,,,,,,,,,,,
100.012.718,213-989-0,1071-26-7,"2,2-dimethylheptane","2,2-dimethylheptane",CCCCCC(C)(C)C,CCCCCC(C)(C)C,"InChI=1/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3",C9H20,,,,,,PSABUFWDVWCFDP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.723,213-994-8,1071-73-4,5-hydroxypentan-2-one,5-hydroxypentan-2-one,CC(=O)CCCO,CC(=O)CCCO,"InChI=1/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3",C5H10O2,,,,,,JSHPTIGHEWEXRW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.726,213-997-4,1071-83-6,Glyphosate,N-(phosphonomethyl)glycine,OC(=O)CNCP(=O)(O)O,OC(=O)CNCP(=O)(O)O,"InChI=1/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)",C3H8NO5P,,,,,,XDDAORKBJWWYJS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.728,214-000-5,1072-03-3,2-(ethylamino)ethyl hydrogen sulphate,2-(ethylamino)ethyl hydrogen sulfate,CCNCCOS(=O)(=O)O,CCNCCOS(=O)(=O)O,"InChI=1/C4H11NO4S/c1-2-5-3-4-9-10(6,7)8/h5H,2-4H2,1H3,(H,6,7,8)",C4H11NO4S,,,,,,NDICMYVRYUEIEM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.729,214-001-0,1072-14-6,Hexylsilane,hexylsilane,CCCCCC[SiH3],CCCCCC[SiH3],"InChI=1/C6H16Si/c1-2-3-4-5-6-7/h2-6H2,1,7H3",C6H16Si,,,,,,QGGUMTNPIYCTSF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.395,214-734-6,1191-41-9,"Ethyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate","ethyl octadeca-9,12,15-trienoate",CCOC(=O)CCCCCCC\\C=C/C\\C=C/C\\C=C/CC,CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3",C20H34O2,,,,,,JYYFMIOPGOFNPK-AGRJPVHOSA-N,,,,,,,,,,,
100.013.397,214-736-7,1191-47-5,Dibutylmagnesium,dibutylmagnesium,CCCC[Mg]CCCC,CCCC[Mg]CCCC,"InChI=1/2C4H9.Mg/c2*1-3-4-2;/h2*1,3-4H2,2H3;/rC8H18Mg/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",C8H18Mg,,,,,,ODHFJIDDBSDWNU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.407,214-747-7,1191-99-7,"2,3-dihydrofuran","2,3-dihydrofuran",C1CC=CO1,C1CC=CO1,"InChI=1/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2",C4H6O,,,,,,JKTCBAGSMQIFNL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.414,214-755-0,1192-58-1,1-methylpyrrole-2-carbaldehyde,1-methyl-1H-pyrrole-2-carbaldehyde,Cn1cccc1C=O,Cn1cccc1C=O,"InChI=1/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3",C6H7NO,,,,,,OUKQTRFCDKSEPL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.415,214-756-6,1192-59-2,"4,5-dihydro-2-methyl-1-vinyl-1H-imidazole","2-methyl-1-vinyl-4,5-dihydro-1H-imidazole",CC1=NCCN1C=C,CC1=NCCN1C=C,"InChI=1/C6H10N2/c1-3-8-5-4-7-6(8)2/h3H,1,4-5H2,2H3",C6H10N2,,,,,,VDSAXHBDVIUOGV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.116,213-328-6,937-39-3,Phenylacetohydrazide,2-phenylacetohydrazide,NNC(=O)Cc1ccccc1,NNC(=O)Cc1ccccc1,"InChI=1/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)",C8H10N2O,,,,,,FPTCVTJCJMVIDV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.119,213-331-2,937-61-1,(propoxymethyl)benzene,(propoxymethyl)benzene,CCCOCc1ccccc1,CCCOCc1ccccc1,"InChI=1/C10H14O/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C10H14O,,,,,,RPTKMZRQBREOMV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.123,213-335-4,937-94-0,"2-hexyl-2-methyl-1,3-dioxolane","2-hexyl-2-methyl-1,3-dioxolane",CCCCCCC1(C)OCCO1,CCCCCCC1(C)OCCO1,"InChI=1/C10H20O2/c1-3-4-5-6-7-10(2)11-8-9-12-10/h3-9H2,1-2H3",C10H20O2,,,,,,HTSKVUFGMXXBAG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.124,213-337-5,938-09-0,[(2-chloroethyl)sulphonyl]benzene,[(2-chloroethyl)sulfonyl]benzene,ClCCS(=O)(=O)c1ccccc1,ClCCS(=O)(=O)c1ccccc1,"InChI=1/C8H9ClO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9ClO2S,,,,,,NUJGORANFDSMOL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.126,213-339-6,938-18-1,"2,4,6-trimethylbenzoyl chloride","2,4,6-trimethylbenzoyl chloride",Cc1cc(C)c(C(=O)Cl)c(C)c1,Cc1cc(C)c(C(=O)Cl)c(C)c1,"InChI=1/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3",C10H11ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5344,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.126,UKRQMDIFLKHCRO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.129,213-342-2,938-45-4,2'-hydroxy-5'-methylpropiophenone,1-(2-hydroxy-5-methylphenyl)propan-1-one,CCC(=O)c1cc(C)ccc1O,CCC(=O)c1cc(C)ccc1O,"InChI=1/C10H12O2/c1-3-9(11)8-6-7(2)4-5-10(8)12/h4-6,12H,3H2,1-2H3",C10H12O2,,,,,,CXZJBPYDVCLMFX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.130,213-343-8,938-46-5,"2',5'-dihydroxypropiophenone","1-(2,5-dihydroxyphenyl)propan-1-one",CCC(=O)c1cc(O)ccc1O,CCC(=O)c1cc(O)ccc1O,"InChI=1/C9H10O3/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,10,12H,2H2,1H3",C9H10O3,,,,,,CFQYIIXIHXUPQT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.134,213-348-5,938-85-2,"2-amino-1,7-dihydro-1-methyl-6H-purin-6-one","2-amino-1-methyl-1,7-dihydro-6H-purin-6-one",CN1C(=Nc2nc[nH]c2C1=O)N,CN1C(=Nc2nc[nH]c2C1=O)N,"InChI=1/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)",C6H7N5O,,,,,,RFLVMTUMFYRZCB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.135,213-349-0,938-86-3,"1,2,3,4-tetrachloro-5-methoxybenzene","1,2,3,4-tetrachloro-5-methoxybenzene",COc1cc(Cl)c(Cl)c(Cl)c1Cl,COc1cc(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C7H4Cl4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3",C7H4Cl4O,,,,,,FUUHMSUPRUNWRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.143,213-357-4,939-23-1,4-phenylpyridine,4-phenylpyridine,c1ccc(cc1)c2ccncc2,c1ccc(cc1)c2ccncc2,InChI=1/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H,C11H9N,,,,,,JVZRCNQLWOELDU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.146,213-361-6,939-48-0,Isopropyl benzoate,isopropyl benzoate,CC(C)OC(=O)c1ccccc1,CC(C)OC(=O)c1ccccc1,"InChI=1/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3",C10H12O2,,,,,,FEXQDZTYJVXMOS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.149,213-364-2,939-80-0,4-chloro-3-nitrobenzonitrile,4-chloro-3-nitrobenzonitrile,[O-][N+](=O)c1cc(ccc1Cl)C#N,[O-][N+](=O)c1cc(ccc1Cl)C#N,InChI=1/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H,C7H3ClN2O2,,,,,,XBLPHYSLHRGMNW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.151,213-366-3,939-90-2,trans-2-phenylcyclopropanecarboxylic acid,2-phenylcyclopropanecarboxylic acid,OC(=O)C1CC1c2ccccc2,OC(=O)C1CC1c2ccccc2,"InChI=1/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)",C10H10O2,,,,,,AHDDRJBFJBDEPW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.156,213-372-6,940-49-8,a-isobutoxytoluene,(isobutoxymethyl)benzene,CC(C)COCc1ccccc1,CC(C)COCc1ccccc1,"InChI=1/C11H16O/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C11H16O,,,,,,ADHMUPZYLITZIH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.697,211-765-7,693-98-1,2-methylimidazole,2-methyl-1H-imidazole,Cc1ncc[nH]1,Cc1ncc[nH]1,"InChI=1/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)",C4H6N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6115,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.697,LXBGSDVWAMZHDD-UHFFFAOYSA-N,Positive,SM801701,[M+H]+,HCD35,83.0603,CASMI_2016,,,,,
100.010.700,211-768-3,694-24-6,"2,3-dihydro-1-hydroxy-1H-phosphole 1-oxide","2,3-dihydro-1H-phosphol-1-ol 1-oxide",OP1(=O)CCC=C1,OP1(=O)CCC=C1,"InChI=1/C4H7O2P/c5-7(6)3-1-2-4-7/h1,3H,2,4H2,(H,5,6)",C4H7O2P,,,,,,CDDGCGLADRPTQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.701,211-769-9,694-28-0,2-chlorocyclopentan-one,2-chlorocyclopentanone,ClC1CCCC1=O,ClC1CCCC1=O,"InChI=1/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H2",C5H7ClO,,,,,,AXDZFGRFZOQVBV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.704,211-773-0,694-55-3,"1,2,3,4-tetrahydro-1-methylpyridine","1-methyl-1,2,3,4-tetrahydropyridine",CN1CCCC=C1,CN1CCCC=C1,"InChI=1/C6H11N/c1-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3",C6H11N,,,,,,UKPBWLDHWHLVFV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.706,211-775-1,694-80-4,2-bromochlorobenzene,1-bromo-2-chlorobenzene,Clc1ccccc1Br,Clc1ccccc1Br,InChI=1/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4BrCl,,,,,,QBELEDRHMPMKHP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.707,211-776-7,694-83-7,"Cyclohex-1,2-ylenediamine","cyclohexane-1,2-diamine",NC1CCCCC1N,NC1CCCCC1N,"InChI=1/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2",C6H14N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14903,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.707,SSJXIUAHEKJCMH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.475,209-321-2,569-61-9,"4,4'-(4-iminocyclohexa-2,5-dienylidenemethylene)dianiline hydrochloride","4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]dianiline hydrochloride",Cl.Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,Cl.Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,"InChI=1/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H",C19H17N3.ClH,,,,,,JUQPZRLQQYSMEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.299,210-227-9,610-53-7,"2',4'-dinitroacetanilide","N-(2,4-dinitrophenyl)acetamide",CC(=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CC(=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H7N3O5/c1-5(12)9-7-3-2-6(10(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,9,12)",C8H7N3O5,,,,,,BRZYMGKDOVQJGX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.303,210-232-6,610-67-3,2-nitrophenetole,1-ethoxy-2-nitrobenzene,CCOc1ccccc1[N+](=O)[O-],CCOc1ccccc1[N+](=O)[O-],"InChI=1/C8H9NO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3",C8H9NO3,,,,,,XGLGESCVNJSAQY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.307,210-236-8,610-81-1,4-amino-3-nitrophenol,4-amino-3-nitrophenol,Nc1ccc(O)cc1[N+](=O)[O-],Nc1ccc(O)cc1[N+](=O)[O-],"InChI=1/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2",C6H6N2O3,,,,,,IQXUIDYRTHQTET-UHFFFAOYSA-N,,,,,,,,,,,
100.009.311,210-241-5,610-94-6,Methyl 2-bromobenzoate,methyl 2-bromobenzoate,COC(=O)c1ccccc1Br,COC(=O)c1ccccc1Br,"InChI=1/C8H7BrO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3",C8H7BrO2,,,,,,SWGQITQOBPXVRC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.312,210-242-0,610-96-8,Methyl 2-chlorobenzoate,methyl 2-chlorobenzoate,COC(=O)c1ccccc1Cl,COC(=O)c1ccccc1Cl,"InChI=1/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3",C8H7ClO2,,,,,,JAVRNIFMYIJXIE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.313,210-243-6,610-97-9,Methyl 2-iodobenzoate,methyl 2-iodobenzoate,COC(=O)c1ccccc1I,COC(=O)c1ccccc1I,"InChI=1/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3",C8H7IO2,,,,,,BXXLTVBTDZXPTN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.315,210-245-7,611-00-7,"2,4-dibromobenzoic acid","2,4-dibromobenzoic acid",OC(=O)c1ccc(Br)cc1Br,OC(=O)c1ccc(Br)cc1Br,"InChI=1/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)",C7H4Br2O2,,,,,,NAGGYODWMPFKJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.317,210-247-8,611-05-2,4-nitro-m-toluidine,3-methyl-4-nitroaniline,Cc1cc(N)ccc1[N+](=O)[O-],Cc1cc(N)ccc1[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,8H2,1H3",C7H8N2O2,,,,,,XPAYEWBTLKOEDA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.319,210-249-9,611-07-4,5-chloro-2-nitrophenol,5-chloro-2-nitrophenol,Oc1cc(Cl)ccc1[N+](=O)[O-],Oc1cc(Cl)ccc1[N+](=O)[O-],"InChI=1/C6H4ClNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H",C6H4ClNO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10010,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.319,MZDBQSFPAMTTIS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.320,210-250-4,611-08-5,5-nitrouracil,"5-nitropyrimidine-2,4(1H,3H)-dione",[O-][N+](=O)C1=CNC(=O)NC1=O,[O-][N+](=O)C1=CNC(=O)NC1=O,"InChI=1/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)",C4H3N3O4,,,,,,TUARVSWVPPVUGS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.322,210-253-0,611-10-9,Ethyl 2-oxocyclopentanecarboxylate,ethyl 2-oxocyclopentanecarboxylate,CCOC(=O)C1CCCC1=O,CCOC(=O)C1CCCC1=O,"InChI=1/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3",C8H12O3,,,,,,JHZPNBKZPAWCJD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.324,210-255-1,611-14-3,2-ethyltoluene,1-ethyl-2-methylbenzene,CCc1ccccc1C,CCc1ccccc1C,"InChI=1/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",C9H12,,,,,,HYFLWBNQFMXCPA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.338,210-270-3,611-55-2,"2-amino-6,7-dimethylpteridin-4-ol","2-amino-6,7-dimethylpteridin-4-ol",Cc1nc2nc(N)nc(O)c2nc1C,Cc1nc2nc(N)nc(O)c2nc1C,"InChI=1/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)",C8H9N5O,,,,,,ZKWZUPPXTCQQJL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.339,210-271-9,611-59-6,"3,7-dihydro-1,7-dimethyl-1H-purine-2,6-dione","1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)Nc2ncn(C)c2C1=O,CN1C(=O)Nc2ncn(C)c2C1=O,"InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)",C7H8N4O2,,,,,,QUNWUDVFRNGTCO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.341,210-274-5,611-69-8,2-methyl-1-phenylpropan-1-ol,2-methyl-1-phenylpropan-1-ol,CC(C)C(O)c1ccccc1,CC(C)C(O)c1ccccc1,"InChI=1/C10H14O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3",C10H14O,,,,,,GMDYDZMQHRTHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.343,210-276-6,611-71-2,L-2-hydroxy-2-phenylacetic acid,hydroxy(phenyl)acetic acid,OC(C(=O)O)c1ccccc1,OC(C(=O)O)c1ccccc1,"InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)",C8H8O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16776,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.343,IWYDHOAUDWTVEP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.351,210-285-5,611-94-9,4-methoxybenzophenone,(4-methoxyphenyl)(phenyl)methanone,COc1ccc(cc1)C(=O)c2ccccc2,COc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3",C14H12O2,,,,,,SWFHGTMLYIBPPA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.352,210-286-0,611-95-0,4-benzoylbenzoic acid,4-benzoylbenzoic acid,OC(=O)c1ccc(cc1)C(=O)c2ccccc2,OC(=O)c1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)",C14H10O3,,,,,,IFQUPKAISSPFTE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.573,211-629-7,676-58-4,Methylmagnesium chloride,methylmagnesium(1+) chloride,[Cl-].C[Mg+],[Cl-].C[Mg+],InChI=1/CH3.ClH.Mg/h1H3;1H;/q;;+1/p-1/rCH3Mg.ClH/c1-2;/h1H3;1H/q+1;/p-1,CH3ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10147,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.573,RQNMYNYHBQQZSP-UHFFFAOYSA-M,,,,,,,,,,,
100.010.578,211-634-4,676-97-1,Methylphosphonic dichloride,methylphosphonic dichloride,CP(=O)(Cl)Cl,CP(=O)(Cl)Cl,"InChI=1/CH3Cl2OP/c1-5(2,3)4/h1H3",CH3Cl2OP,,,,,,SCLFRABIDYGTAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.579,211-636-5,676-98-2,Methylphosphonothioic dichloride,methylphosphonothioic dichloride,CP(=S)(Cl)Cl,CP(=S)(Cl)Cl,"InChI=1/CH3Cl2PS/c1-4(2,3)5/h1H3",CH3Cl2PS,,,,,,TUNCWCIKOHOGJX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.582,211-639-1,677-24-7,Methyl dichlorophosphate,methyl dichlorophosphate,COP(=O)(Cl)Cl,COP(=O)(Cl)Cl,"InChI=1/CH3Cl2O2P/c1-5-6(2,3)4/h1H3",CH3Cl2O2P,,,,,,SNVCRNWSNUUGEA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.585,211-642-8,677-67-8,Difluoro(fluorosulphonyl)acetyl fluoride,difluoro(fluorosulfonyl)acetyl fluoride,FC(=O)C(F)(F)S(=O)(=O)F,FC(=O)C(F)(F)S(=O)(=O)F,"InChI=1/C2F4O3S/c3-1(7)2(4,5)10(6,8)9",C2F4O3S,,,,,,YIHXQSQQJBEAKK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.586,211-643-3,677-69-0,"1,1,1,2,3,3,3-heptafluoro-2-iodopropane","1,1,1,2,3,3,3-heptafluoro-2-iodopropane",FC(F)(F)C(F)(I)C(F)(F)F,FC(F)(F)C(F)(I)C(F)(F)F,"InChI=1/C3F7I/c4-1(11,2(5,6)7)3(8,9)10",C3F7I,,,,,,BBZVTTKMXRPMHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.590,211-648-0,678-39-7,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2",C10H5F17O,,,,,,JJUBFBTUBACDHW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.319,212-451-2,818-38-2,Diethyl glutarate,diethyl glutarate,CCOC(=O)CCCC(=O)OCC,CCOC(=O)CCCC(=O)OCC,"InChI=1/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3",C9H16O4,,,,,,OUWSNHWQZPEFEX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.328,212-461-7,819-21-6,"1,3-dibutyl-1,3-difluorodistannoxane","1,3-dibutyl-1,3-difluorodistannoxane",CCCC[Sn](F)O[Sn](F)CCCC,CCCC[Sn](F)O[Sn](F)CCCC,"InChI=1/2C4H9.2FH.O.2Sn/c2*1-3-4-2;;;;;/h2*1,3-4H2,2H3;2*1H;;;/q;;;;;2*+2/p-2/rC8H18F2OSn2/c1-3-5-7-12(9)11-13(10)8-6-4-2/h3-8H2,1-2H3/q+2",C16H36F2OSn2,,,,,,ZVEBFHDPKWOMIG-UHFFFAOYSA-L,,,,,,,,,,,
100.011.331,212-464-3,819-83-0,Disodium ß-glycerophosphate,"disodium 2,3-dihydroxypropyl phosphate",[Na+].[Na+].OCC(O)COP(=O)([O-])[O-],[Na+].[Na+].OCC(O)COP(=O)([O-])[O-],"InChI=1/C3H9O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",C3H9O6P.2Na,,,,,,GEKBIENFFVFKRG-UHFFFAOYSA-L,,,,,,,,,,,
100.011.332,212-465-9,819-97-6,sec-butyl butyrate,sec-butyl butyrate,CCCC(=O)OC(C)CC,CCCC(=O)OC(C)CC,"InChI=1/C8H16O2/c1-4-6-8(9)10-7(3)5-2/h7H,4-6H2,1-3H3",C8H16O2,,,,,,QJHDFBAAFGELLO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.336,212-470-6,820-66-6,(carboxylatomethyl)dimethyl(octadecyl)ammonium,[dimethyl(octadecyl)ammonio]acetate,CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25/h4-21H2,1-3H3",C22H45NO2,,,,,,HVYJSOSGTDINLW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.346,212-481-6,821-69-2,"1,3-propanediyl dioleate","propane-1,3-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C39H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3",C39H72O4,,,,,,DAGUWHQPUZIHIC-CLFAGFIQSA-N,,,,,,,,,,,
100.011.347,212-482-1,821-91-0,"3-(dodecylamino)propane-1,2-diol","3-(dodecylamino)propane-1,2-diol",CCCCCCCCCCCCNCC(O)CO,CCCCCCCCCCCCNCC(O)CO,"InChI=1/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(18)14-17/h15-18H,2-14H2,1H3",C15H33NO2,,,,,,VWGWFMQZURGKKK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.357,212-493-1,822-23-1,Octadecyl acetate,octadecyl acetate,CCCCCCCCCCCCCCCCCCOC(=O)C,CCCCCCCCCCCCCCCCCCOC(=O)C,"InChI=1/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3",C20H40O2,,,,,,OIZXRZCQJDXPFO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.368,212-505-5,822-87-7,2-chlorocyclohexanone,2-chlorocyclohexanone,ClC1CCCCC1=O,ClC1CCCCC1=O,"InChI=1/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2",C6H9ClO,,,,,,CCHNWURRBFGQCD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.369,212-506-0,822-89-9,Hydroxyl-2-pyridone,1-hydroxypyridin-2(1H)-one,ON1C=CC=CC1=O,ON1C=CC=CC1=O,"InChI=1/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,8H",C5H5NO2,,,,,,SNUSZUYTMHKCPM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.370,212-507-6,822-90-2,"2,4,5-trimethyl-1H-imidazole","2,4,5-trimethyl-1H-imidazole",Cc1nc(C)c(C)[nH]1,Cc1nc(C)c(C)[nH]1,"InChI=1/C6H10N2/c1-4-5(2)8-6(3)7-4/h1-3H3,(H,7,8)",C6H10N2,,,,,,PTBPTNCGZUOCBK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.419,214-760-8,1192-89-8,Bromophenylmercury,bromo(phenyl)mercury,Br[Hg]c1ccccc1,Br[Hg]c1ccccc1,InChI=1/C6H5.BrH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1/rC6H5BrHg/c7-8-6-4-2-1-3-5-6/h1-5H,C6H5BrHg,,,,,,PUPHNPSAIJQNEE-UHFFFAOYSA-M,,,,,,,,,,,
100.013.421,214-762-9,1193-00-6,Sodium 4-chlorophenolate,sodium 4-chlorophenolate,[Na+].[O-]c1ccc(Cl)cc1,[Na+].[O-]c1ccc(Cl)cc1,"InChI=1/C6H5ClO.Na/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1",C6H5ClO.Na,,,,,,CFPLEOLETMZLIB-UHFFFAOYSA-M,,,,,,,,,,,
100.013.428,214-770-2,1193-21-1,"4,6-dichloropyrimidine","4,6-dichloropyrimidine",Clc1cc(Cl)ncn1,Clc1cc(Cl)ncn1,InChI=1/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H,C4H2Cl2N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10082,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.428,XJPZKYIHCLDXST-UHFFFAOYSA-N,,,,,,,,,,,
100.013.433,214-776-5,1193-65-3,Quinuclidin-3-one hydrochloride,quinuclidin-3-one hydrochloride,Cl.O=C1CN2CCC1CC2,Cl.O=C1CN2CCC1CC2,"InChI=1/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H",C7H11NO.ClH,,,,,,RFDPHKHXPMDJJD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.438,214-781-2,1193-82-4,(methylsulphinyl)benzene,(methylsulfinyl)benzene,CS(=O)c1ccccc1,CS(=O)c1ccccc1,"InChI=1/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3",C7H8OS,,,,,,JXTGICXCHWMCPM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.441,214-784-9,1194-02-1,4-fluorobenzonitrile,4-fluorobenzonitrile,Fc1ccc(cc1)C#N,Fc1ccc(cc1)C#N,InChI=1/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,C7H4FN,,,,,,AEKVBBNGWBBYLL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.442,214-785-4,1194-21-4,2-amino-6-chloropyrimidin-4-ol hydrate,2-amino-6-chloropyrimidin-4-ol hydrate,O.Nc1nc(O)cc(Cl)n1,O.Nc1nc(O)cc(Cl)n1,"InChI=1/C4H4ClN3O.H2O/c5-2-1-3(9)8-4(6)7-2;/h1H,(H3,6,7,8,9);1H2",C4H4ClN3O,,,,,,KBQIJULVUFJCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.119,211-129-9,630-10-4,Selenourea,selenourea,NC(=[Se])N,NC(=[Se])N,"InChI=1/CH4N2Se/c2-1(3)4/h(H4,2,3,4)",CH4N2Se,,,,,,QNYNRMCLBNFLKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.121,211-132-5,630-17-1,"1-bromo-2,2-dimethylpropane","1-bromo-2,2-dimethylpropane",CC(C)(C)CBr,CC(C)(C)CBr,"InChI=1/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3",C5H11Br,,,,,,CQWYAXCOVZKLHY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.127,211-138-8,630-56-8,Hydroxyprogesterone caproate,"3,20-dioxopregn-4-en-17-yl hexanoate",CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3",C27H40O4,,,,,,DOMWKUIIPQCAJU-LJHIYBGHSA-N,,,,,,,,,,,
100.010.134,211-146-1,630-83-1,"Morphine 3-hydroxy-4-oxopyran-2,6-dicarboxylate","3-hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid - 17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol (1:1)",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OC(=O)C6=CC(=O)C(=C(O6)C(=O)O)O,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OC(=O)C6=CC(=O)C(=C(O6)C(=O)O)O,"InChI=1/C17H19NO3.C7H4O7/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1,9H,(H,10,11)(H,12,13)",C17H19NO3.1/2C7H4O7,,,,,,MUZPKDSJFXYZTF-VYKNHSEDSA-N,,,,,,,,,,,
100.010.135,211-147-7,630-88-6,"3',6'-dichlorospiro(phthalide-3,9'-xanthene)","3',6'-dichloro-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Clc1ccc2c(Oc3cc(Cl)ccc3C24OC(=O)c5ccccc45)c1,Clc1ccc2c(Oc3cc(Cl)ccc3C24OC(=O)c5ccccc45)c1,InChI=1/C20H10Cl2O3/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10H,C20H10Cl2O3,,,,,,LNBKJWCRFAZVLK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.142,211-155-0,631-36-7,Tetraethylsilane,tetraethylsilane,CC[Si](CC)(CC)CC,CC[Si](CC)(CC)CC,"InChI=1/C8H20Si/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",C8H20Si,,,,,,VCZQFJFZMMALHB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.145,211-158-7,631-41-4,Tetrakis(2-hydroxyethyl)ammonium hydroxide,"2-hydroxy-N,N,N-tris(2-hydroxyethyl)ethanaminium hydroxide",[OH-].OCC[N+](CCO)(CCO)CCO,[OH-].OCC[N+](CCO)(CCO)CCO,"InChI=1/C8H20NO4.H2O/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H2/q+1;/p-1",C8H20NO4.HO,,,,,,VHLDQAOFSQCOFS-UHFFFAOYSA-M,,,,,,,,,,,
100.010.146,211-159-2,631-57-2,2-oxopropiononitrile,2-oxopropanenitrile,CC(=O)C#N,CC(=O)C#N,InChI=1/C3H3NO/c1-3(5)2-4/h1H3,C3H3NO,,,,,,QLDHWVVRQCGZLE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.151,211-165-5,631-64-1,Dibromoacetic acid,dibromoacetic acid,OC(=O)C(Br)Br,OC(=O)C(Br)Br,"InChI=1/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)",C2H2Br2O2,,,,,,SIEILFNCEFEENQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.710,211-779-3,695-12-5,Vinylcyclohexane,vinylcyclohexane,C=CC1CCCCC1,C=CC1CCCCC1,"InChI=1/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2",C8H14,,,,,,LDLDYFCCDKENPD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.715,211-785-6,695-96-5,2-bromo-4-chlorophenol,2-bromo-4-chlorophenol,Oc1ccc(Cl)cc1Br,Oc1ccc(Cl)cc1Br,"InChI=1/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H",C6H4BrClO,,,,,,ZIYRDJLAJYTELF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.721,211-791-9,696-28-6,Dichloro(phenyl)arsine,phenylarsonous dichloride,Cl[As](Cl)c1ccccc1,Cl[As](Cl)c1ccccc1,InChI=1/C6H5AsCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H,C6H5AsCl2,,,,,,UDHDFEGCOJAVRE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.722,211-792-4,696-29-7,Isopropylcyclohexane,isopropylcyclohexane,CC(C)C1CCCCC1,CC(C)C1CCCCC1,"InChI=1/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",C9H18,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19077,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.722,GWESVXSMPKAFAS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.729,211-800-6,696-71-9,Cyclooctanol,cyclooctanol,OC1CCCCCCC1,OC1CCCCCCC1,"InChI=1/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2",C8H16O,,,,,,FHADSMKORVFYOS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.738,211-810-0,697-91-6,"2,6-dichloro-p-benzoquinone","2,6-dichloro-1,4-benzoquinone",ClC1=CC(=O)C=C(Cl)C1=O,ClC1=CC(=O)C=C(Cl)C1=O,InChI=1/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,C6H2Cl2O2,,,,,,JCARTGJGWCGSSU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.540,211-592-7,672-25-3,(aminomethylene)malononitrile,(aminomethylene)malononitrile,NC=C(C#N)C#N,NC=C(C#N)C#N,"InChI=1/C4H3N3/c5-1-4(2-6)3-7/h1H,5H2",C4H3N3,,,,,,RIOQOLSODGFOQV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.552,211-606-1,673-31-4,Phenprobamate,3-phenylpropyl carbamate,NC(=O)OCCCc1ccccc1,NC(=O)OCCCc1ccccc1,"InChI=1/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)",C10H13NO2,,,,,,CAMYKONBWHRPDD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.553,211-607-7,673-32-5,Prop-1-ynylbenzene,prop-1-yn-1-ylbenzene,CC#Cc1ccccc1,CC#Cc1ccccc1,"InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3",C9H8,,,,,,GHUURDQYRGVEHX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.558,211-612-4,673-79-0,"Diethyl 3,3'-thiobispropionate","diethyl 3,3'-sulfanediyldipropanoate",CCOC(=O)CCSCCC(=O)OCC,CCOC(=O)CCSCCC(=O)OCC,"InChI=1/C10H18O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h3-8H2,1-2H3",C10H18O4S,,,,,,VCXUFKFNLUTDAX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.560,211-615-0,674-26-0,(±)-tetrahydro-4-hydroxy-4-methyl-2H-pyran-2-one,4-hydroxy-4-methyltetrahydro-2H-pyran-2-one,CC1(O)CCOC(=O)C1,CC1(O)CCOC(=O)C1,"InChI=1/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3",C6H10O3,,,,,,JYVXNLLUYHCIIH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.561,211-616-6,674-76-0,(E)-4-methylpent-2-ene,4-methylpent-2-ene,C\\C=C\\C(C)C,C\C=C\C(C)C,"InChI=1/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3",C6H12,,,,,,LGAQJENWWYGFSN-SNAWJCMRSA-N,,,,,,,,,,,
100.010.564,211-619-2,675-10-5,4-hydroxy-6-methylpyran-4-one,4-hydroxy-6-methyl-2H-pyran-2-one,CC1=CC(=CC(=O)O1)O,CC1=CC(=CC(=O)O1)O,"InChI=1/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3",C6H6O3,,,,,,NSYSSMYQPLSPOD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.566,211-621-3,675-15-0,Fluorodiisobutylaluminium,fluoro(diisobutyl)aluminum,CC(C)C[Al](F)CC(C)C,CC(C)C[Al](F)CC(C)C,"InChI=1/2C4H9.Al.FH/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;1H/q;;+1;/p-1/rC8H18AlF/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3",C8H18AlF,,,,,,SJBIACKVFNCVOM-UHFFFAOYSA-M,,,,,,,,,,,
100.010.570,211-626-0,676-22-2,"(1E,5E,9E)-cyclododeca-1,5,9-triene","cyclododeca-1,5,9-triene",C1C\\C=C\\CC\\C=C\\CC\\C=C/1,C1C\C=C\CC\C=C\CC\C=C/1,"InChI=1/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2",C12H18,,,,,,ZOLLIQAKMYWTBR-RYMQXAEESA-N,,,,,,,,,,,
100.010.574,211-630-2,676-75-5,Iododimethylarsine,dimethylarsinous iodide,C[As](C)I,C[As](C)I,InChI=1/C2H6AsI/c1-3(2)4/h1-2H3,C2H6AsI,,,,,,JHQSGZOIIRXESF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.575,211-631-8,676-83-5,Methylphosphonous dichloride,methylphosphonous dichloride,CP(Cl)Cl,CP(Cl)Cl,InChI=1/CH3Cl2P/c1-4(2)3/h1H3,CH3Cl2P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12194,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.575,CDPKWOKGVUHZFR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.576,211-632-3,676-88-0,Trimethylsulphonium tetrafluoroborate(1-),trimethylsulfonium tetrafluoroborate,C[S+](C)C.F[B-](F)(F)F,C[S+](C)C.F[B-](F)(F)F,"InChI=1/C3H9S.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1",C3H9S.BF4,,,,,,RNBNWTAKWJKQNN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.580,211-637-0,677-21-4,"3,3,3-trifluoropropene","3,3,3-trifluoroprop-1-ene",FC(F)(F)C=C,FC(F)(F)C=C,"InChI=1/C3H3F3/c1-2-3(4,5)6/h2H,1H2",C3H3F3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16503,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.580,FDMFUZHCIRHGRG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.584,211-641-2,677-43-0,Dimethylphosphoramidic dichloride,dimethylphosphoramidic dichloride,CN(C)P(=O)(Cl)Cl,CN(C)P(=O)(Cl)Cl,"InChI=1/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3",C2H6Cl2NOP,,,,,,YNHXBEVSSILHPI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.353,210-287-6,611-97-2,"4,4'-dimethylbenzophenone",bis(4-methylphenyl)methanone,Cc1ccc(cc1)C(=O)c2ccc(C)cc2,Cc1ccc(cc1)C(=O)c2ccc(C)cc2,"InChI=1/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3",C15H14O,,,,,,ZWPWLKXZYNXATK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.569,208-324-6,522-20-3,1-[(6-chloro-2-methoxyacridin-9-yl)amino]-3-(diethylamino)propan-2-ol,1-[(6-chloro-2-methoxyacridin-9-yl)amino]-3-(diethylamino)propan-2-ol,CCN(CC)CC(O)CNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,CCN(CC)CC(O)CNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,"InChI=1/C21H26ClN3O2/c1-4-25(5-2)13-15(26)12-23-21-17-8-6-14(22)10-20(17)24-19-9-7-16(27-3)11-18(19)21/h6-11,15,26H,4-5,12-13H2,1-3H3,(H,23,24)",C21H26ClN3O2,,,,,,UDDPPYHULIXFDV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.575,208-330-9,522-51-0,Dequalinium chloride,"1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) dichloride",[Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34,[Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34,"InChI=1/C30H38N4.2ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H",C30H40N4.2Cl,,,,,,LTNZEXKYNRNOGT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.596,208-353-4,524-14-1,S-(hydrogen malonyl)coenzyme A,7-(5-O-{[3-({2-[(carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropoxy](hydroxy)phosphoryl}-3-O-phosphonopentofuranosyl)-7H-purin-6-amine,Nc1ncnc2ncn(C3OC(COP(=O)(O)OCCC(=O)NCCSC(=O)CC(=O)O)C(OP(=O)(O)O)C3O)c12,Nc1ncnc2ncn(C3OC(COP(=O)(O)OCCC(=O)NCCSC(=O)CC(=O)O)C(OP(=O)(O)O)C3O)c12,"InChI=1/C18H26N6O14P2S/c19-16-13-17(22-7-21-16)23-8-24(13)18-14(29)15(38-39(30,31)32)9(37-18)6-36-40(33,34)35-3-1-10(25)20-2-4-41-12(28)5-11(26)27/h7-9,14-15,18,29H,1-6H2,(H,20,25)(H,26,27)(H,33,34)(H2,19,21,22)(H2,30,31,32)",C24H38N7O19P3S,,,,,,VOYXFIQXQQAEPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.597,208-355-5,524-30-1,8-(ß-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one,7-hydroxy-6-methoxy-2-oxo-2H-chromen-8-yl beta-D-glucopyranoside,COc1cc2C=CC(=O)Oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O,COc1cc2C=CC(=O)Oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O,"InChI=1/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3",C16H18O10,,,,,,CRSFLLTWRCYNNX-QBNNUVSCSA-N,,,,,,,,,,,
100.007.600,208-358-1,524-38-9,N-hydroxyphthalimide,"2-hydroxy-1H-isoindole-1,3(2H)-dione",ON1C(=O)c2ccccc2C1=O,ON1C(=O)c2ccccc2C1=O,"InChI=1/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H",C8H5NO3,,,,,,CFMZSMGAMPBRBE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.601,208-359-7,524-40-3,Ricinine,"4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",COC1=C(C#N)C(=O)N(C)C=C1,COC1=C(C#N)C(=O)N(C)C=C1,"InChI=1/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3",C8H8N2O2,,,,,,PETSAYFQSGAEQY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.606,208-364-4,524-81-2,Mebhydrolin,"5-benzyl-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole",CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4,CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4,"InChI=1/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3",C19H20N2,,,,,,FQQIIPAOSKSOJM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.607,208-366-5,524-95-8,(2-aminoethoxy)(diphenyl)borane,2-aminoethyl diphenylborinate,NCCOB(c1ccccc1)c2ccccc2,NCCOB(c1ccccc1)c2ccccc2,"InChI=1/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2",C14H16BNO,,,,,,BLZVCIGGICSWIG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.615,208-374-9,525-52-0,"Benzene-1,2,3-triyl triacetate","benzene-1,2,3-triyl triacetate",CC(=O)Oc1cccc(OC(=O)C)c1OC(=O)C,CC(=O)Oc1cccc(OC(=O)C)c1OC(=O)C,"InChI=1/C12H12O6/c1-7(13)16-10-5-4-6-11(17-8(2)14)12(10)18-9(3)15/h4-6H,1-3H3",C12H12O6,,,,,,AQGLTPNHAAVOKN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.944,207-638-0,486-70-4,Lupinine,octahydro-2H-quinolizin-1-ylmethanol,OC[C@@H]1CCCN2CCCC[C@H]12,OC[C@@H]1CCCN2CCCC[C@H]12,"InChI=1/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2",C10H19NO,,,,,,HDVAWXXJVMJBAR-VHSXEESVSA-N,,,,,,,,,,,
100.006.946,207-640-1,486-74-8,Quinoline-4-carboxylic acid,quinoline-4-carboxylic acid,OC(=O)c1ccnc2ccccc12,OC(=O)c1ccnc2ccccc12,"InChI=1/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)",C10H7NO2,,,,,,VQMSRUREDGBWKT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.950,207-644-3,486-87-3,(+)-a-isolupanine,spartein-2-one,O=C1CCCC2C3CC(CN12)C4CCCCN4C3,O=C1CCCC2C3CC(CN12)C4CCCCN4C3,"InChI=1/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2",C15H24N2O,,,,,,JYIJIIVLEOETIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.952,207-646-4,487-06-9,"5,7-dimethoxy-2-benzopyrone","5,7-dimethoxy-2H-chromen-2-one",COc1cc(OC)c2C=CC(=O)Oc2c1,COc1cc(OC)c2C=CC(=O)Oc2c1,"InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3",C11H10O4,,,,,,NXJCRELRQHZBQA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.966,207-662-1,487-68-3,"2,4,6-trimethylbenzaldehyde","2,4,6-trimethylbenzaldehyde",Cc1cc(C)c(C=O)c(C)c1,Cc1cc(C)c(C=O)c(C)c1,"InChI=1/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3",C10H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11719,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.966,HIKRJHFHGKZKRI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.373,212-510-2,822-98-0,Bicyclo[2.2.1]heptan-2-amine,bicyclo[2.2.1]heptan-2-amine,NC1CC2CCC1C2,NC1CC2CCC1C2,"InChI=1/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2",C7H13N,,,,,,JEPPYVOSGKWVSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.161,213-377-3,940-90-9,"Benzoic acid, compound with diethylamine (1:1)",N-ethylethanamine benzoate,CCNCC.OC(=O)c1ccccc1,CCNCC.OC(=O)c1ccccc1,"InChI=1/C7H6O2.C4H11N/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,8,9);5H,3-4H2,1-2H3",C7H6O2.C4H11N,,,,,,HRDKTPJEDYOOPH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.164,213-381-5,941-55-9,Tosyl azide,4-methylbenzenesulfonyl azide,Cc1ccc(cc1)S(=O)(=O)N=[N+]=[N-],Cc1ccc(cc1)S(=O)(=O)N=[N+]=[N-],"InChI=1/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3",C7H7N3O2S,,,,,,NDLIRBZKZSDGSO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.168,213-385-7,942-01-8,"1,2,3,4-tetrahydrocarbazole","2,3,4,9-tetrahydro-1H-carbazole",C1CCc2c(C1)[nH]c3ccccc23,C1CCc2c(C1)[nH]c3ccccc23,"InChI=1/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2",C12H13N,,,,,,XKLNOVWDVMWTOB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.185,213-403-3,943-73-7,L-homophenylalanine,2-amino-4-phenylbutanoic acid,NC(CCc1ccccc1)C(=O)O,NC(CCc1ccccc1)C(=O)O,"InChI=1/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",C10H13NO2,,,,,,JTTHKOPSMAVJFE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.191,213-410-1,944-73-0,"7,9-dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trione","1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)N(C)C2=C(NC(=O)N2)C1=O,CN1C(=O)N(C)C2=C(NC(=O)N2)C1=O,"InChI=1/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)",C7H8N4O3,,,,,,OTSBKHHWSQYEHK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.192,213-411-7,944-90-1,"L-(-)-threo-2-imino-3,4-dimethyl-5-phenylthiazolidine","3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine",CC1C(SC(=N)N1C)c2ccccc2,CC1C(SC(=N)N1C)c2ccccc2,"InChI=1/C11H14N2S/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3",C11H14N2S,,,,,,GMFUTRCIEWHKBH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.199,213-419-0,946-31-6,"2-chloro-4,6-dinitrophenol","2-chloro-4,6-dinitrophenol",Oc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-],Oc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3ClN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H",C6H3ClN2O5,,,,,,PCBCIXWBAPIVDV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.203,213-423-2,947-02-4,Phosfolan,"diethyl 1,3-dithiolan-2-ylideneamidophosphate",CCOP(=O)(OCC)N=C1SCCS1,CCOP(=O)(OCC)N=C1SCCS1,"InChI=1/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3",C7H14NO3PS2,,,,,,ILBONRFSLATCRE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.205,213-425-3,947-08-0,"5-(sec-butyl)-5-ethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, monosodium salt",-,[Na+].CCC(C)C1(CC)C(=O)NC(=S)NC1=O,[Na+].CCC(C)C1(CC)C(=O)NC(=S)NC1=O,"InChI=1/C10H16N2O2S.Na/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14;/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15);/q;+1",C10H16N2O2S.Na,,,,,,SLZHLQUFNFXTHB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.207,213-427-4,947-42-2,Diphenylsilanediol,diphenylsilanediol,O[Si](O)(c1ccccc1)c2ccccc2,O[Si](O)(c1ccccc1)c2ccccc2,"InChI=1/C12H12O2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H",C12H12O2Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17717,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.207,OLLFKUHHDPMQFR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.209,213-430-0,947-72-8,9-chlorophenanthrene,9-chlorophenanthrene,Clc1cc2ccccc2c3ccccc13,Clc1cc2ccccc2c3ccccc13,InChI=1/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,C14H9Cl,,,,,,CJWHZQNUDAJJSB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.743,211-815-8,698-31-7,4-nitrosoresorcinol,"4-nitrosobenzene-1,3-diol",Oc1ccc(N=O)c(O)c1,Oc1ccc(N=O)c(O)c1,"InChI=1/C6H5NO3/c8-4-1-2-5(7-10)6(9)3-4/h1-3,8-9H",C6H5NO3,,,,,,BJBGAAAJTDQABC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.746,211-818-4,698-71-5,5-ethyl-m-cresol,3-ethyl-5-methylphenol,CCc1cc(C)cc(O)c1,CCc1cc(C)cc(O)c1,"InChI=1/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,XTCHLXABLZQNNN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.749,211-822-6,698-90-8,Cyclohexylurea,1-cyclohexylurea,NC(=O)NC1CCCCC1,NC(=O)NC1CCCCC1,"InChI=1/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)",C7H14N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7430,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.749,WUESWDIHTKHGQA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.752,211-825-2,699-07-0,Isonicotinaldehyde oxime 1-oxide,isonicotinaldehyde oxime 1-oxide,O\\N=C\\c1cc[n+]([O-])cc1,O\N=C\c1cc[n+]([O-])cc1,"InChI=1/C6H6N2O2/c9-7-5-6-1-3-8(10)4-2-6/h1-5,9H",C6H6N2O2,,,,,,FKBCBLAWZJRHSP-FNORWQNLSA-N,,,,,,,,,,,
100.010.754,211-827-3,699-11-6,N-(2-bromoethyl)aniline,N-(2-bromoethyl)aniline,BrCCNc1ccccc1,BrCCNc1ccccc1,"InChI=1/C8H10BrN/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2",C8H10BrN,,,,,,AQRDPQOVPUDAQO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.755,211-828-9,699-12-7,2-(phenylthio)ethanol,2-(phenylsulfanyl)ethanol,OCCSc1ccccc1,OCCSc1ccccc1,"InChI=1/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",C8H10OS,,,,,,KWWZHCSQVRVQGF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.757,211-831-5,699-17-2,4-(2-furyl)butan-2-one,4-(2-furyl)butan-2-one,CC(=O)CCc1occc1,CC(=O)CCc1occc1,"InChI=1/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3",C8H10O2,,,,,,GGJUJWSDTDBTLX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.152,211-166-0,631-71-0,Ethyl abietate,"ethyl abieta-7,13-dien-18-oate",CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C,CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C,"InChI=1/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3",C22H34O2,,,,,,AGUBCDYYAKENKG-YVNJGZBMSA-N,,,,,,,,,,,
100.010.155,211-169-7,632-14-4,Trimethylurea,"1,1,3-trimethylurea",CNC(=O)N(C)C,CNC(=O)N(C)C,"InChI=1/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)",C4H10N2O,,,,,,COSWCAGTKRUTQV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.778,212-955-2,886-77-1,"1,5-di-2-furylpenta-1,4-dien-3-one","1,5-di-2-furylpenta-1,4-dien-3-one",O=C(C=Cc1ccco1)C=Cc2ccco2,O=C(C=Cc1ccco1)C=Cc2ccco2,InChI=1/C13H10O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H,C13H10O3,,,,,,XOOFLVNFEPIPIW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.783,212-961-5,887-79-6,"Sodium 2,4-dinitronaphtholate","sodium 2,4-dinitronaphthalen-1-olate",[Na+].[O-]c1c(cc(c2ccccc12)[N+](=O)[O-])[N+](=O)[O-],[Na+].[O-]c1c(cc(c2ccccc12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H6N2O5.Na/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17;/h1-5,13H;/q;+1/p-1",C10H6N2O5.Na,,,,,,OESSQZSTPKCQOE-UHFFFAOYSA-M,,,,,,,,,,,
100.011.787,212-965-7,890-98-2,Benzyl mandelate,benzyl hydroxy(phenyl)acetate,OC(C(=O)OCc1ccccc1)c2ccccc2,OC(C(=O)OCc1ccccc1)c2ccccc2,"InChI=1/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2",C15H14O3,,,,,,JFKWZVQEMSKSBU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.788,212-966-2,891-33-8,"3-(dimethylamino)-1,2-dimethylpropyl p-aminobenzoate","3-(dimethylamino)-1,2-dimethylpropyl 4-aminobenzoate",CC(CN(C)C)C(C)OC(=O)c1ccc(N)cc1,CC(CN(C)C)C(C)OC(=O)c1ccc(N)cc1,"InChI=1/C14H22N2O2/c1-10(9-16(3)4)11(2)18-14(17)12-5-7-13(15)8-6-12/h5-8,10-11H,9,15H2,1-4H3",C14H22N2O2,,,,,,MTNXJJYHFCSXCP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.794,212-973-0,894-71-3,Nortriptyline hydrochloride,"3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine hydrochloride",Cl.CNCCC=C1c2ccccc2CCc3ccccc13,Cl.CNCCC=C1c2ccccc2CCc3ccccc13,"InChI=1/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H",C19H21N.ClH,,,,,,SHAYBENGXDALFF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.798,212-977-2,897-06-3,"Androsta-1,4-diene-3,17-dione","androsta-1,4-diene-3,17-dione",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,"InChI=1/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3",C19H24O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19098,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.798,LUJVUUWNAPIQQI-QAGGRKNESA-N,,,,,,,,,,,
100.011.800,212-979-3,897-18-7,"2-(1-naphthyl)-5-phenyl-1,3,4-oxadiazole","2-(1-naphthyl)-5-phenyl-1,3,4-oxadiazole",o1c(nnc1c2cccc3ccccc23)c4ccccc4,o1c(nnc1c2cccc3ccccc23)c4ccccc4,InChI=1/C18H12N2O/c1-2-8-14(9-3-1)17-19-20-18(21-17)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,C18H12N2O,,,,,,PNPLRTWSLDSFET-UHFFFAOYSA-N,,,,,,,,,,,
100.011.802,212-981-4,897-78-9,"2,6-dibenzylidenecyclohexan-1-one","2,6-dibenzylidenecyclohexanone",O=C2C(CCCC2=Cc1ccccc1)=Cc3ccccc3,O=C2C(CCCC2=Cc1ccccc1)=Cc3ccccc3,"InChI=1/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2",C20H18O,,,,,,CTKKGXDAWIAYSA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.804,212-984-0,900-95-8,Fentin acetate,acetoxy(triphenyl)stannane,CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1/rC20H18O2Sn/c1-17(21)22-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3",C20H18O2Sn,,,,,,WDQNIWFZKXZFAY-UHFFFAOYSA-M,,,,,,,,,,,
100.011.820,213-001-8,909-63-7,3-ethyl-2-[2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]benzothiazolium iodide,"3-ethyl-2-{2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2CC,"InChI=1/C23H25N2S2.HI/c1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;/h7-16H,4-6H2,1-3H3;1H/q+1;/p-1",C23H25N2S2.I,,,,,,WWXXZRSESCDLJO-UHFFFAOYSA-M,,,,,,,,,,,
100.012.735,214-007-3,1072-43-1,"1,2-epithiopropane",2-methylthiirane,CC1CS1,CC1CS1,"InChI=1/C3H6S/c1-3-2-4-3/h3H,2H2,1H3",C3H6S,,,,,,MBNVSWHUJDDZRH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.739,214-012-0,1072-63-5,1-vinylimidazole,1-vinyl-1H-imidazole,C=Cn1ccnc1,C=Cn1ccnc1,"InChI=1/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2",C5H6N2,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/12790,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.739,OSSNTDFYBPYIEC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.748,214-022-5,1073-05-8,"1,3,2-dioxathiane 2,2-dioxide","1,3,2-dioxathiane 2,2-dioxide",O=S1(=O)OCCCO1,O=S1(=O)OCCCO1,InChI=1/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2,C3H6O4S,,,,,,OQYOVYWFXHQYOP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.757,214-031-4,1073-72-9,4-(methylthio)phenol,4-(methylsulfanyl)phenol,CSc1ccc(O)cc1,CSc1ccc(O)cc1,"InChI=1/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",C7H8OS,,,,,,QASBCTGZKABPKX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.320,212-452-8,818-44-0,Vinyl octanoate,vinyl octanoate,CCCCCCCC(=O)OC=C,CCCCCCCC(=O)OC=C,"InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h4H,2-3,5-9H2,1H3",C10H18O2,,,,,,QBDADGJLZNIRFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.334,212-468-5,820-13-3,"Dilithium 2,3-hydroxy-1-propyl phosphate",dilithium 2-hydroxy-1-(hydroxymethyl)ethyl phosphate,[Li]OP(=O)(O[Li])OC(CO)CO,[Li]OP(=O)(O[Li])OC(CO)CO,"InChI=1/C3H9O6P.2Li/c4-1-3(2-5)9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2/rC3H7Li2O6P/c4-10-12(8,11-5)9-3(1-6)2-7/h3,6-7H,1-2H2",C3H9O6P.2Li,,,,,,SLWFFIDQCNNNKX-UHFFFAOYSA-L,,,,,,,,,,,
100.011.341,212-475-3,821-33-0,"4,4'-oxybisbutan-2-ol","4,4'-oxydibutan-2-ol",CC(O)CCOCCC(C)O,CC(O)CCOCCC(C)O,"InChI=1/C8H18O3/c1-7(9)3-5-11-6-4-8(2)10/h7-10H,3-6H2,1-2H3",C8H18O3,,,,,,AFSYRVDDZGJTIL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.342,212-476-9,821-38-5,Tetradecanedioic acid,tetradecanedioic acid,OC(=O)CCCCCCCCCCCCC(=O)O,OC(=O)CCCCCCCCCCCCC(=O)O,"InChI=1/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)",C14H26O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11546,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.342,HQHCYKULIHKCEB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.343,212-477-4,821-41-0,Hex-5-en-1-ol,hex-5-en-1-ol,OCCCCC=C,OCCCCC=C,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2",C6H12O,,,,,,UIZVMOZAXAMASY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.349,212-484-2,821-99-8,"1,9-dichlorononane","1,9-dichlorononane",ClCCCCCCCCCCl,ClCCCCCCCCCCl,InChI=1/C9H18Cl2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2,C9H18Cl2,,,,,,JMGRNJZUQCEJDB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.350,212-485-8,822-06-0,Hexamethylene diisocyanate,"1,6-diisocyanatohexane",O=C=N\\CCCCCC\\N=C=O,O=C=N\CCCCCC\N=C=O,InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2,C8H12N2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14852,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.350,RRAMGCGOFNQTLD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.352,212-487-9,822-12-8,Sodium myristate,sodium myristate,[Na+].CCCCCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/C14H28O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1",C14H28O2.Na,,,,,,JUQGWKYSEXPRGL-UHFFFAOYSA-M,,,,,,,,,,,
100.011.354,212-490-5,822-16-2,Sodium stearate,sodium stearate,[Na+].CCCCCCCCCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",C18H36O2.Na,,,,,,RYYKJJJTJZKILX-UHFFFAOYSA-M,,,,,,,,,,,
100.011.359,212-495-2,822-28-6,1-vinyloxyhexadecane,1-(vinyloxy)hexadecane,CCCCCCCCCCCCCCCCOC=C,CCCCCCCCCCCCCCCCOC=C,"InChI=1/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h4H,2-3,5-18H2,1H3",C18H36O,,,,,,UKDKWYQGLUUPBF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.361,212-497-3,822-36-6,4-methylimidazole,4-methyl-1H-imidazole,Cc1c[nH]cn1,Cc1c[nH]cn1,"InChI=1/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)",C4H6N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19007,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.361,XLSZMDLNRCVEIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.366,212-502-9,822-84-4,3-nitrothiophene,3-nitrothiophene,[O-][N+](=O)c1ccsc1,[O-][N+](=O)c1ccsc1,InChI=1/C4H3NO2S/c6-5(7)4-1-2-8-3-4/h1-3H,C4H3NO2S,,,,,,SIPCFXFCVTUAID-UHFFFAOYSA-N,,,,,,,,,,,
100.012.166,213-383-6,941-81-1,"4,6,8-trimethylazulene","4,6,8-trimethylazulene",Cc1cc(C)c2cccc2c(C)c1,Cc1cc(C)c2cccc2c(C)c1,"InChI=1/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3",C13H14,,,,,,RUNBRXWUHPOTOO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.167,213-384-1,941-98-0,1'-acetonaphthone,1-(1-naphthyl)ethanone,CC(=O)c1cccc2ccccc12,CC(=O)c1cccc2ccccc12,"InChI=1/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3",C12H10O,,,,,,QQLIGMASAVJVON-UHFFFAOYSA-N,,,,,,,,,,,
100.012.172,213-389-9,942-31-4,"5-phenylthiazole-2,4-diamine monohydrochloride","5-phenyl-1,3-thiazole-2,4-diamine hydrochloride",Cl.Nc1nc(N)c(s1)c2ccccc2,Cl.Nc1nc(N)c(s1)c2ccccc2,"InChI=1/C9H9N3S.ClH/c10-8-7(13-9(11)12-8)6-4-2-1-3-5-6;/h1-5H,10H2,(H2,11,12);1H",C9H9N3S.ClH,,,,,,AGSXNJJBDIOXIP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.175,213-393-0,942-91-6,[(phenylthioxomethyl)thio]acetic acid,[(phenylcarbonothioyl)sulfanyl]acetic acid,OC(=O)CSC(=S)c1ccccc1,OC(=O)CSC(=S)c1ccccc1,"InChI=1/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)",C9H8O2S2,,,,,,XBEIANFIOZTEDE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.176,213-394-6,942-92-7,Hexanophenone,1-phenylhexan-1-one,CCCCCC(=O)c1ccccc1,CCCCCC(=O)c1ccccc1,"InChI=1/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3",C12H16O,,,,,,MAHPVQDVMLWUAG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.178,213-396-7,943-04-4,2-(dimethylamino)benzothiazol-6-ol,"2-(dimethylamino)-1,3-benzothiazol-6-ol",CN(C)c1nc2ccc(O)cc2s1,CN(C)c1nc2ccc(O)cc2s1,"InChI=1/C9H10N2OS/c1-11(2)9-10-7-4-3-6(12)5-8(7)13-9/h3-5,12H,1-2H3",C9H10N2OS,,,,,,PTSXJPLARKXKFV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.181,213-399-3,943-27-1,p-tert-butylacetophenone,1-(4-tert-butylphenyl)ethanone,CC(=O)c1ccc(cc1)C(C)(C)C,CC(=O)c1ccc(cc1)C(C)(C)C,"InChI=1/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3",C12H16O,,,,,,UYFJYGWNYQCHOB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.183,213-401-2,943-39-5,4-nitroperoxybenzoic acid,4-(nitroperoxy)benzoic acid,OC(=O)c1ccc(OO[N+](=O)[O-])cc1,OC(=O)c1ccc(OO[N+](=O)[O-])cc1,"InChI=1/C7H5NO6/c9-7(10)5-1-3-6(4-2-5)13-14-8(11)12/h1-4H,(H,9,10)",C7H5NO5,,,,,,QMIOVCKFRGQAAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.970,207-666-3,487-90-1,5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propionic acid,3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid,NCc1[nH]cc(CCC(=O)O)c1CC(=O)O,NCc1[nH]cc(CCC(=O)O)c1CC(=O)O,"InChI=1/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)",C10H14N2O4,,,,,,QSHWIQZFGQKFMA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.971,207-667-9,487-93-4,3-[2-(dimethylamino)ethyl]-1H-indol-5-ol,3-[2-(dimethylamino)ethyl]-1H-indol-5-ol,CN(C)CCc1c[nH]c2ccc(O)cc12,CN(C)CCc1c[nH]c2ccc(O)cc12,"InChI=1/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3",C12H16N2O,,,,,,VTTONGPRPXSUTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.972,207-668-4,488-10-8,3-methyl-2-pent-2-enylcyclopent-2-enone,3-methyl-2-pent-2-en-1-ylcyclopent-2-en-1-one,O=C1CCC(\\C)=C1\\CC=CCC,O=C1CCC(\C)=C1\CC=CCC,"InChI=1/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3",C11H16O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19000,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.972,XMLSXPIVAXONDL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.974,207-671-0,488-15-3,2-hydroxy-3-methylvaleric acid,2-hydroxy-3-methylpentanoic acid,CCC(C)C(O)C(=O)O,CCC(C)C(O)C(=O)O,"InChI=1/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",C6H12O3,,,,,,RILPIWOPNGRASR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.975,207-672-6,488-17-5,3-methylpyrocatechol,"3-methylbenzene-1,2-diol",Cc1cccc(O)c1O,Cc1cccc(O)c1O,"InChI=1/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3",C7H8O2,,,,,,PGSWEKYNAOWQDF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.976,207-673-1,488-23-3,"1,2,3,4-tetramethylbenzene","1,2,3,4-tetramethylbenzene",Cc1ccc(C)c(C)c1C,Cc1ccc(C)c(C)c1C,"InChI=1/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3",C10H14,,,,,,UOHMMEJUHBCKEE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.982,207-679-4,488-48-2,Tetrabromo-p-benzoquinone,"2,3,5,6-tetrabromo-1,4-benzoquinone",BrC1=C(Br)C(=O)C(=C(Br)C1=O)Br,BrC1=C(Br)C(=O)C(=C(Br)C1=O)Br,InChI=1/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11,C6Br4O2,,,,,,LWHDQPLUIFIFFT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.987,207-685-7,488-81-3,Ribitol,D-erythro-pentitol,O[C@H](CO)[C@@H](O)[C@@H](O)CO,O[C@H](CO)[C@@H](O)[C@@H](O)CO,"InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2",C5H12O5,,,,,,HEBKCHPVOIAQTA-ZXFHETKHSA-N,,,,,,,,,,,
100.006.993,207-692-5,488-98-2,"o-fluoro-a,a,a-trichlorotoluene",1-fluoro-2-(trichloromethyl)benzene,Fc1ccccc1C(Cl)(Cl)Cl,Fc1ccccc1C(Cl)(Cl)Cl,"InChI=1/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H",C7H4Cl3F,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6658,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.993,JYLVSNNSOWDQQX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.995,207-694-6,489-39-4,"[1aR-(1aa,4aa,7a,7aß,7ba)]-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulene","1,1,7-trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene",CC1CCC2C1C3C(CCC2=C)C3(C)C,CC1CCC2C1C3C(CCC2=C)C3(C)C,"InChI=1/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3",C15H24,,,,,,ITYNGVSTWVVPIC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.480,209-327-5,570-22-9,"Imidazole-4,5-dicarboxylic acid","1H-imidazole-4,5-dicarboxylic acid",OC(=O)c1nc[nH]c1C(=O)O,OC(=O)c1nc[nH]c1C(=O)O,"InChI=1/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)",C5H4N2O4,,,,,,ZEVWQFWTGHFIDH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.484,209-331-7,570-54-7,"3-ß,17-a-dihydroxy-5-a-pregnan-20-one","3,17-dihydroxypregnan-20-one",CC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3",C21H34O3,,,,,,LKQDFQLSEHWIRK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.486,209-333-8,570-78-5,"3-a,6-a-dihydroxy-5-ß-pregnan-20-one","3,6-dihydroxypregnan-20-one",CC(=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C,"InChI=1/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3",C21H34O3,,,,,,HHUZGDMRRLQZIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.493,209-341-1,572-60-1,"(8a,9S)-6'-methoxycinchonan-9-ol",6'-methoxycinchonan-9-ol,COc1ccc2nccc([C@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,COc1ccc2nccc([C@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3",C20H24N2O2,,,,,,LOUPRKONTZGTKE-FEBSWUBLSA-N,,,,,,,,,,,
100.008.494,209-342-7,572-67-8,"Methyl (19a,20a)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate","methyl 10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate",COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12,COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12,"InChI=1/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3",C23H28N2O5,,,,,,FGWJRZQNNZVCHR-HAHWVIBASA-N,,,,,,,,,,,
100.008.502,209-351-6,573-17-1,9-bromophenanthrene,9-bromophenanthrene,Brc1cc2ccccc2c3ccccc13,Brc1cc2ccccc2c3ccccc13,InChI=1/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,C14H9Br,,,,,,RSQXKVWKJVUZDG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.504,209-353-7,573-26-2,N-methyl-N-(2-methylphenyl)acetamide,N-methyl-N-(2-methylphenyl)acetamide,CN(C(=O)C)c1ccccc1C,CN(C(=O)C)c1ccccc1C,"InChI=1/C10H13NO/c1-8-6-4-5-7-10(8)11(3)9(2)12/h4-7H,1-3H3",C10H13NO,,,,,,QKIDBCKIVIQWLL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.765,211-839-9,700-16-3,Pentafluoropyridine,pentafluoropyridine,Fc1nc(F)c(F)c(F)c1F,Fc1nc(F)c(F)c(F)c1F,InChI=1/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8,C5F5N,,,,,,XTGOWLIKIQLYRG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.767,211-842-5,700-37-8,4-chloro-2-fluoro-1-nitrobenzene,4-chloro-2-fluoro-1-nitrobenzene,[O-][N+](=O)c1ccc(Cl)cc1F,[O-][N+](=O)c1ccc(Cl)cc1F,InChI=1/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,C6H3ClFNO2,,,,,,PTCPUGKKWNMITF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.771,211-846-7,700-57-2,"Tricyclo[3.3.1.13,7]decan-2-ol",adamantan-2-ol,OC1C2CC3CC(CC1C3)C2,OC1C2CC3CC(CC1C3)C2,"InChI=1/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2",C10H16O,,,,,,FOWDOWQYRZXQDP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.783,211-859-8,701-78-0,"4-ethyl-6-methoxy-1,3,5-triazin-2-amine","4-ethyl-6-methoxy-1,3,5-triazin-2-amine",CCc1nc(N)nc(OC)n1,CCc1nc(N)nc(OC)n1,"InChI=1/C6H10N4O/c1-3-4-8-5(7)10-6(9-4)11-2/h3H2,1-2H3,(H2,7,8,9,10)",C6H10N4O,,,,,,NZQFOCIYDGJNSF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.787,211-864-5,702-03-4,3-cyclohexylaminopropiononitrile,3-(cyclohexylamino)propanenitrile,N#CCCNC1CCCCC1,N#CCCNC1CCCCC1,"InChI=1/C9H16N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-6,8H2",C9H16N2,,,,,,OLUJYRYCQHJDKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.599,211-658-5,681-98-1,Tetrakis(2-methylpropyl) orthosilicate,tetraisobutyl orthosilicate,CC(C)CO[Si](OCC(C)C)(OCC(C)C)OCC(C)C,CC(C)CO[Si](OCC(C)C)(OCC(C)C)OCC(C)C,"InChI=1/C16H36O4Si/c1-13(2)9-17-21(18-10-14(3)4,19-11-15(5)6)20-12-16(7)8/h13-16H,9-12H2,1-8H3",C16H36O4Si,,,,,,QKCMIPQMYBKEPP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.602,211-661-1,682-09-7,"2,2-bis(allyloxymethyl)butan-1-ol","2,2-bis[(allyloxy)methyl]butan-1-ol",CCC(CO)(COCC=C)COCC=C,CCC(CO)(COCC=C)COCC=C,"InChI=1/C12H22O3/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2/h4-5,13H,1-2,6-11H2,3H3",C12H22O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1894,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.602,BDKDHWOPFRTWPP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.609,211-669-5,683-10-3,(carboxylatomethyl)dodecyldimethylammonium,[dodecyl(dimethyl)ammonio]acetate,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3",C16H33NO2,,,,,,DVEKCXOJTLDBFE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.610,211-670-0,683-18-1,Dibutyltin dichloride,dibutyltin dichloride,[Cl-].[Cl-].CCCC[Sn+2]CCCC,[Cl-].[Cl-].CCCC[Sn+2]CCCC,"InChI=1/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2/rC8H18Sn.2ClH/c1-3-5-7-9-8-6-4-2;;/h3-8H2,1-2H3;2*1H/q+2;;/p-2",C8H18Cl2Sn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14508,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.610,RJGHQTVXGKYATR-UHFFFAOYSA-L,,,,,,,,,,,
100.010.612,211-672-1,683-58-9,N-hydroxyacetoimidoyl chloride,N-hydroxyethanimidoyl chloride,CC(=NO)Cl,CC(=NO)Cl,"InChI=1/C2H4ClNO/c1-2(3)4-5/h5H,1H3",C2H4ClNO,,,,,,RNSUNNOEBOGKHG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.623,211-684-7,685-88-1,Diethyl fluoromalonate,diethyl fluoromalonate,CCOC(=O)C(F)C(=O)OCC,CCOC(=O)C(F)C(=O)OCC,"InChI=1/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3",C7H11FO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12112,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.623,GOWQBFVDZPZZFA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.510,212-660-9,839-90-7,"Tris(2-hydroxyethyl)-1,3,5-triazinetrione","1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione",OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,"InChI=1/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2",C9H15N3O6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14797,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.510,BPXVHIRIPLPOPT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.512,212-663-5,840-97-1,Ethyl N-acetyl-L-tyrosinate,ethyl N-acetyl-L-tyrosinate,CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C,CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C,"InChI=1/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)",C13H17NO4,,,,,,SKAWDTAMLOJQNK-LBPRGKRZSA-N,,,,,,,,,,,
100.011.380,212-518-6,823-77-8,Calcium dinicotinate,calcium dinicotinate,[Ca+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2,[Ca+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2,"InChI=1/2C6H5NO2.Ca/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2",C6H5NO2.1/2Ca,,,,,,CFKVDGBWWNMDKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.011.385,212-523-3,824-11-3,"4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane","4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane",CCC12COP(OC1)OC2,CCC12COP(OC1)OC2,"InChI=1/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3",C6H11O3P,,,,,,QRUSNTDXJQBKBI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.387,212-525-4,824-35-1,Calcium disalicylate,calcium bis(2-hydroxybenzoate),[Ca+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Ca+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.Ca/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C7H6O3.1/2Ca,,,,,,VBIGULIJWJPALH-UHFFFAOYSA-L,,,,,,,,,,,
100.011.390,212-529-6,824-45-3,2-chloromethyl-p-xylene,"2-(chloromethyl)-1,4-dimethylbenzene",Cc1ccc(C)c(CCl)c1,Cc1ccc(C)c(CCl)c1,"InChI=1/C9H11Cl/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3",C9H11Cl,,,,,,PECXPZGFZFGDRD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.395,212-534-3,824-72-6,Phenylphosphonic dichloride,phenylphosphonic dichloride,ClP(=O)(Cl)c1ccccc1,ClP(=O)(Cl)c1ccccc1,"InChI=1/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",C6H5Cl2OP,,,,,,IBDMRHDXAQZJAP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.760,214-035-6,1074-11-9,"(1,2-dichloroethyl)benzene","(1,2-dichloroethyl)benzene",ClCC(Cl)c1ccccc1,ClCC(Cl)c1ccccc1,"InChI=1/C8H8Cl2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2",C8H8Cl2,,,,,,GCXHSBQTVXCWBK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.762,214-037-7,1074-17-5,2-propyltoluene,1-methyl-2-propylbenzene,CCCc1ccccc1C,CCCc1ccccc1C,"InChI=1/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3",C10H14,,,,,,YQZBFMJOASEONC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.763,214-038-2,1074-24-4,"2,5-dibromo-p-xylene","1,4-dibromo-2,5-dimethylbenzene",Cc1cc(Br)c(C)cc1Br,Cc1cc(Br)c(C)cc1Br,"InChI=1/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3",C8H8Br2,,,,,,QENIALCDPFDFHX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.764,214-039-8,1074-29-9,Trichlorophenylgermane,trichloro(phenyl)germane,Cl[Ge](Cl)(Cl)c1ccccc1,Cl[Ge](Cl)(Cl)c1ccccc1,"InChI=1/C6H5Cl3Ge/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",C6H5Cl3Ge,,,,,,CIWQSBMDFPABPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.766,214-041-9,1074-52-8,Ammonium phenyldithiocarbamate,ammonium phenyldithiocarbamate,[NH4+].[S-]C(=S)Nc1ccccc1,[NH4+].[S-]C(=S)Nc1ccccc1,"InChI=1/C7H7NS2.H3N/c9-7(10)8-6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H3",C7H7NS2.H3N,,,,,,JSNKIZGODRFYMM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.769,214-045-0,1074-59-5,3-(imidazol-4-yl)propionic acid,3-(1H-imidazol-4-yl)propanoic acid,OC(=O)CCc1c[nH]cn1,OC(=O)CCc1c[nH]cn1,"InChI=1/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)",C6H8N2O2,,,,,,ZCKYOWGFRHAZIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.773,214-049-2,1074-95-9,(±)-menthone,2-isopropyl-5-methylcyclohexanone,CC(C)C1CCC(C)CC1=O,CC(C)C1CCC(C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18879,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.773,NFLGAXVYCFJBMK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.774,214-050-8,1074-98-2,3-methyl-4-nitropyridine 1-oxide,3-methyl-4-nitropyridine 1-oxide,Cc1c[n+]([O-])ccc1[N+](=O)[O-],Cc1c[n+]([O-])ccc1[N+](=O)[O-],"InChI=1/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3",C6H6N2O3,,,,,,SSOURMYKACOBIV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.781,214-058-1,1076-22-8,"3,7-dihydro-3-methyl-1H-purine-2,6-dione","3-methyl-3,9-dihydro-1H-purine-2,6-dione",CN1C(=O)NC(=O)c2nc[nH]c12,CN1C(=O)NC(=O)c2nc[nH]c12,"InChI=1/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)",C6H6N4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17492,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.781,GMSNIKWWOQHZGF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.782,214-059-7,1076-23-9,"3-hydroxy-N,N-dimethylpyridine-2-carboxamide","3-hydroxy-N,N-dimethylpyridine-2-carboxamide",CN(C)C(=O)c1ncccc1O,CN(C)C(=O)c1ncccc1O,"InChI=1/C8H10N2O2/c1-10(2)8(12)7-6(11)4-3-5-9-7/h3-5,11H,1-2H3",C8H10N2O2,,,,,,KNPSJINBUZCDRE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.783,214-060-2,1076-38-6,4-hydroxycoumarin,4-hydroxy-2H-chromen-2-one,OC1=CC(=O)Oc2ccccc12,OC1=CC(=O)Oc2ccccc12,"InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H",C9H6O3,,,,,,VXIXUWQIVKSKSA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.445,214-789-6,1194-98-5,"2,5-dihydroxybenzaldehyde","2,5-dihydroxybenzaldehyde",Oc1ccc(O)c(C=O)c1,Oc1ccc(O)c(C=O)c1,"InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H",C7H6O3,,,,,,CLFRCXCBWIQVRN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.448,214-792-2,1195-14-8,2-methylbenzo[b]thiophene,2-methyl-1-benzothiophene,Cc1cc2ccccc2s1,Cc1cc2ccccc2s1,"InChI=1/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3",C9H8S,,,,,,BLZKSRBAQDZAIX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.452,214-796-4,1195-40-0,6-methylpyridine-2-carbaldehyde oxime,6-methylpyridine-2-carbaldehyde oxime,ON=Cc1cccc(C)n1,ON=Cc1cccc(C)n1,"InChI=1/C7H8N2O/c1-6-3-2-4-7(9-6)5-8-10/h2-5,10H,1H3",C7H8N2O,,,,,,OIKGFMHISSQNRL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.457,214-803-0,1195-59-1,"Pyridine-2,6-diyldimethanol","pyridine-2,6-diyldimethanol",OCc1cccc(CO)n1,OCc1cccc(CO)n1,"InChI=1/C7H9NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-3,9-10H,4-5H2",C7H9NO2,,,,,,WWFMINHWJYHXHF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.458,214-804-6,1195-79-5,"3,3-dimethyl-8,9-dinorbornan-2-one","1,3,3-trimethylbicyclo[2.2.1]heptan-2-one",CC12CCC(C1)C(C)(C)C2=O,CC12CCC(C1)C(C)(C)C2=O,"InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",C10H16O,,,,,,LHXDLQBQYFFVNW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.460,214-806-7,1196-00-5,"[1R-(1a,2ß,3a,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.461,214-807-2,1196-01-6,Pin-2-en-4-one,"4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one",CC1=CC(=O)C2CC1C2(C)C,CC1=CC(=O)C2CC1C2(C)C,"InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3",C10H14O,,,,,,DCSCXTJOXBUFGB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.463,214-809-3,1196-22-1,2-methyl-6-oxocyclopent-1-enyl acetate,2-methyl-5-oxocyclopent-1-en-1-yl acetate,CC(=O)OC1=C(C)CCC1=O,CC(=O)OC1=C(C)CCC1=O,"InChI=1/C8H10O3/c1-5-3-4-7(10)8(5)11-6(2)9/h3-4H2,1-2H3",C8H10O3,,,,,,NNYIMCWMHNKLNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.184,213-402-8,943-45-3,2-phenoxyisobutyric acid,2-methyl-2-phenoxypropanoic acid,CC(C)(Oc1ccccc1)C(=O)O,CC(C)(Oc1ccccc1)C(=O)O,"InChI=1/C10H12O3/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)",C10H12O3,,,,,,ILPUOPPYSQEBNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.186,213-404-9,943-88-4,4-(4-methoxyphenyl)-3-buten-2-one,4-(4-methoxyphenyl)but-3-en-2-one,COc1ccc(C=CC(C)=O)cc1,COc1ccc(C=CC(C)=O)cc1,"InChI=1/C11H12O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h3-8H,1-2H3",C11H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18988,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.186,WRRZKDVBPZBNJN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.187,213-405-4,943-89-5,(E)-p-methoxycinnamic acid,3-(4-methoxyphenyl)acrylic acid,COc1ccc(\\C=C\\C(=O)O)cc1,COc1ccc(\C=C\C(=O)O)cc1,"InChI=1/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O3,,,,,,AFDXODALSZRGIH-QPJJXVBHSA-N,Positive,SM821404,[M+H]+,HCD35,161.0597:133.0648:118.0413,CASMI_2016,,,,,
100.012.193,213-412-2,945-24-4,"2,4-diaminopteridine-6-ylmethanol","(2,4-diaminopteridin-6-yl)methanol",Nc1nc(N)c2nc(CO)cnc2n1,Nc1nc(N)c2nc(CO)cnc2n1,"InChI=1/C7H8N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1,14H,2H2,(H4,8,9,10,12,13)",C7H8N6O,,,,,,CYNARAWTVHQHDI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.197,213-416-4,946-23-6,"2-benzyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(Cc2ccccc2)C(=O)C1,CC1=NN(Cc2ccccc2)C(=O)C1,"InChI=1/C11H12N2O/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C11H12N2O,,,,,,MEDQPHZEAUFCTK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.748,211-821-0,698-87-3,1-phenylpropan-2-ol,1-phenylpropan-2-ol,CC(O)Cc1ccccc1,CC(O)Cc1ccccc1,"InChI=1/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",C9H12O,,,,,,WYTRYIUQUDTGSX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.756,211-829-4,699-14-9,1-(but-2-enyl)piperidine,1-but-2-en-1-ylpiperidine,CC=CCN1CCCCC1,CC=CCN1CCCCC1,"InChI=1/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2-3H,4-9H2,1H3",C9H17N,,,,,,XQOHGUZOLKLXLU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.760,211-834-1,699-98-9,"Pyridine-2,3-dicarboxylic anhydride","2,2'-(oxydicarbonyl)dinicotinic acid",OC(=O)c1cccnc1C(=O)OC(=O)c2ncccc2C(=O)O,OC(=O)c1cccnc1C(=O)OC(=O)c2ncccc2C(=O)O,"InChI=1/C14H8N2O7/c17-11(18)7-3-1-5-15-9(7)13(21)23-14(22)10-8(12(19)20)4-2-6-16-10/h1-6H,(H,17,18)(H,19,20)",C7H3NO3,,,,,,SOQFBPFFSINNSL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.769,211-844-6,700-44-7,6-methoxysalicylaldehyde,2-hydroxy-6-methoxybenzaldehyde,COc1cccc(O)c1C=O,COc1cccc(O)c1C=O,"InChI=1/C8H8O3/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5,10H,1H3",C8H8O3,,,,,,DZJPDDVDKXHRLF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.777,211-853-5,700-87-8,2-methoxyphenyl isocyanate,1-isocyanato-2-methoxybenzene,COc1ccccc1N=C=O,COc1ccccc1N=C=O,"InChI=1/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3",C8H7NO2,,,,,,SUVCZZADQDCIEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.778,211-854-0,701-35-9,Trichloro-p-tolylsilane,trichloro(4-methylphenyl)silane,Cc1ccc(cc1)[Si](Cl)(Cl)Cl,Cc1ccc(cc1)[Si](Cl)(Cl)Cl,"InChI=1/C7H7Cl3Si/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3",C7H7Cl3Si,,,,,,WOMUGKOOLXQCTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.780,211-856-1,701-47-3,a-ethyl-p-fluorobenzyl alcohol,1-(4-fluorophenyl)propan-1-ol,CCC(O)c1ccc(F)cc1,CCC(O)c1ccc(F)cc1,"InChI=1/C9H11FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3",C9H11FO,,,,,,CBNKDCZWGZSHNR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.793,211-870-8,702-79-4,"1,3-dimethyltricyclo[3.3.1.13,7]decane","1,3-dimethyladamantane",CC12CC3CC(CC(C)(C3)C1)C2,CC12CC3CC(CC(C)(C3)C1)C2,"InChI=1/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3",C12H20,,,,,,CWNOIUTVJRWADX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.594,211-652-2,678-78-4,Hexafluoroglutaryl difluoride,hexafluoropentanedioyl difluoride,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)F,"InChI=1/C5F8O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15",C5F8O2,,,,,,XAKMJUAGVWKMOB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.597,211-655-9,681-57-2,"2,2-dimethylglutaric acid","2,2-dimethylpentanedioic acid",CC(C)(CCC(=O)O)C(=O)O,CC(C)(CCC(=O)O)C(=O)O,"InChI=1/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,BTUDGPVTCYNYLK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.600,211-659-0,682-01-9,Tetrapropyl orthosilicate,tetrapropyl orthosilicate,CCCO[Si](OCCC)(OCCC)OCCC,CCCO[Si](OCCC)(OCCC)OCCC,"InChI=1/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3",C12H28O4Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14206,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.600,ZQZCOBSUOFHDEE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.603,211-662-7,682-11-1,2-allyloxymethyl-2-ethylpropanediol,"2-[(allyloxy)methyl]-2-methylbutane-1,1-diol",CCC(C)(COCC=C)C(O)O,CCC(C)(COCC=C)C(O)O,"InChI=1/C9H18O3/c1-4-6-12-7-9(3,5-2)8(10)11/h4,8,10-11H,1,5-7H2,2-3H3",C9H18O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10272,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.603,LGBWPTAZTVCIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.606,211-665-3,682-49-5,Tridodecyl phosphate,tridodecyl phosphate,CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OCCCCCCCCCCCC,CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OCCCCCCCCCCCC,"InChI=1/C36H75O4P/c1-4-7-10-13-16-19-22-25-28-31-34-38-41(37,39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",C36H75O4P,,,,,,OHRVKCZTBPSUIK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.509,209-358-4,573-58-0,"Disodium 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis(4-aminonaphthalene-1-sulphonate)","disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc4cc(c3ccccc3c4N)S([O-])(=O)=O)c(N)c6ccccc56,[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc4cc(c3ccccc3c4N)S([O-])(=O)=O)c(N)c6ccccc56,"InChI=1/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C32H24N6O6S2.2Na,,,,,,IQFVPQOLBLOTPF-UHFFFAOYSA-L,,,,,,,,,,,
100.008.510,209-360-5,573-79-5,"2,2'-azoxybisbenzoic acid",2-[(2-carboxyphenyl)-NNO-azoxy]benzoic acid,OC(=O)c1ccccc1N=N(=O)c2ccccc2C(=O)O,OC(=O)c1ccccc1N=N(=O)c2ccccc2C(=O)O,"InChI=1/C14H10N2O5/c17-13(18)9-5-1-3-7-11(9)15-16(21)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,17,18)(H,19,20)",C14H10N2O5,,,,,,MBUVKGDWMUDLBP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.512,209-362-6,573-89-7,4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonic acid,4-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O,OS(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O,"InChI=1/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,19H,(H,20,21,22)",C16H12N2O4S,,,,,,RDUJRVXKAIVTDH-UHFFFAOYSA-N,Positive/Negative,SM821801,[M+H]+,HCD35,329.0593:156.0444:128.0495,CASMI_2016,SM821851,[M-H]-,HCD35,327.0444:170.9995:155.9886,CASMI_2016
100.008.515,209-365-2,574-00-5,"Naphthalene-1,2-diol","naphthalene-1,2-diol",Oc1ccc2ccccc2c1O,Oc1ccc2ccccc2c1O,"InChI=1/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H",C10H8O2,,,,,,NXPPAOGUKPJVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.519,209-369-4,574-19-6,1-(2-hydroxy-1-naphthyl)ethan-1-one,1-(2-hydroxy-1-naphthyl)ethanone,CC(=O)c1c(O)ccc2ccccc12,CC(=O)c1c(O)ccc2ccccc12,"InChI=1/C12H10O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14H,1H3",C12H10O2,,,,,,VUIOUIWZVKVFCI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.520,209-371-5,574-25-4,6-thioinosine,9-pentofuranosyl-9H-purine-6-thiol,OCC1OC(C(O)C1O)n2cnc3c(S)ncnc23,OCC1OC(C(O)C1O)n2cnc3c(S)ncnc23,"InChI=1/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)",C10H12N4O4S,,,,,,NKGPJODWTZCHGF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.523,209-374-1,574-77-6,Papaveroline,"1-(3,4-dihydroxybenzyl)isoquinoline-6,7-diol",Oc1ccc(Cc2nccc3cc(O)c(O)cc23)cc1O,Oc1ccc(Cc2nccc3cc(O)c(O)cc23)cc1O,"InChI=1/C16H13NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-4,6-8,18-21H,5H2",C16H13NO4,,,,,,MXQKCNCLQIHHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.794,207-471-3,473-72-3,"cis-3-acetyl-2,2-dimethylcyclobutylacetic acid","(3-acetyl-2,2-dimethylcyclobutyl)acetic acid",CC(=O)C1CC(CC(=O)O)C1(C)C,CC(=O)C1CC(CC(=O)O)C1(C)C,"InChI=1/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)",C10H16O3,,,,,,SIZDUQQDBXJXLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.795,207-472-9,473-81-4,Glyceric acid,"2,3-dihydroxypropanoic acid",OCC(O)C(=O)O,OCC(O)C(=O)O,"InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)",C3H6O4,,,,,,RBNPOMFGQQGHHO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.798,207-476-0,474-00-0,Eburnamenin-14(15H)-one,"14,15-dihydroeburnamenin-14-one",CC[C@]12CCCN3CCc4c([C@@H]13)n(C(=O)C2)c5ccccc45,CC[C@]12CCCN3CCc4c([C@@H]13)n(C(=O)C2)c5ccccc45,"InChI=1/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3",C19H22N2O,,,,,,WYJAPUKIYAZSEM-RBUKOAKNSA-N,,,,,,,,,,,
100.006.803,207-481-8,474-25-9,Chenodeoxycholic acid,"3,7-dihydroxycholan-24-oic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)",C24H40O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5782,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.803,RUDATBOHQWOJDD-BSWAIDMHSA-N,,,,,,,,,,,
100.006.804,207-482-3,474-44-2,(20S)-3a-amino-5a-pregnan-20-ol,3-aminopregnan-20-ol,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H37NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,23H,4-12,22H2,1-3H3",C21H37NO,,,,,,VIQFMADXQMGZER-CGVINKDUSA-N,,,,,,,,,,,
100.006.807,207-486-5,474-67-9,"Ergosta-5,22(E)-dien-3ß-ol","ergosta-5,22-dien-3-ol",CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3",C28H46O,,,,,,OILXMJHPFNGGTO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.811,207-490-7,475-03-6,"1,2,3,4-tetrahydro-1,1,6-trimethylnaphthalene","1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene",Cc1ccc2c(CCCC2(C)C)c1,Cc1ccc2c(CCCC2(C)C)c1,"InChI=1/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3",C13H18,,,,,,LTMQZVLXCLQPCT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.402,212-542-7,825-25-2,Cyclopentylidenecyclopentan-2-one,"1,1'-bi(cyclopentyliden)-2-one",O=C1CCCC1=C2CCCC2,O=C1CCCC1=C2CCCC2,InChI=1/C10H14O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h1-7H2,C10H14O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17324,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.402,NYSYNXRPXJZYFY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.403,212-543-2,825-29-6,"Pyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime, monosodium salt",-,[Na+].ON=C1C(=O)NC(=O)NC1=O,[Na+].ON=C1C(=O)NC(=O)NC1=O,"InChI=1/C4H3N3O4.Na/c8-2-1(7-11)3(9)6-4(10)5-2;/h11H,(H2,5,6,8,9,10);/q;+1",C4H3N3O4.Na,,,,,,VGPTYIUPCHBZNR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.405,212-545-3,825-51-4,trans-decahydro-2-naphthol,decahydronaphthalen-2-ol,OC1CCC2CCCCC2C1,OC1CCC2CCCCC2C1,"InChI=1/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2",C10H18O,,,,,,UPMAOXLCTXPPAG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.406,212-546-9,825-52-5,(hydroxyimino)phenylacetonitrile,(hydroxyimino)(phenyl)acetonitrile,ON=C(C#N)c1ccccc1,ON=C(C#N)c1ccccc1,"InChI=1/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H",C8H6N2O,,,,,,MJCQFBKIFDVTTR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.408,212-549-5,825-89-8,Manganese bis(4-hydroxybenzenesulphonate),manganese(2+) bis(4-hydroxybenzenesulfonate),[Mn+2].Oc1ccc(cc1)S(=O)(=O)[O-].Oc2ccc(cc2)S(=O)(=O)[O-],[Mn+2].Oc1ccc(cc1)S(=O)(=O)[O-].Oc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C6H6O4S.Mn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2",C6H6O4S.1/2Mn,,,,,,FUZYRKKYLIMNDR-UHFFFAOYSA-L,,,,,,,,,,,
100.011.409,212-550-0,825-90-1,Sodium 4-hydroxybenzenesulphonate,sodium 4-hydroxybenzenesulfonate,[Na+].Oc1ccc(cc1)S(=O)(=O)[O-],[Na+].Oc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1",C6H6O4S.Na,,,,,,BYMHXIQVEAYSJD-UHFFFAOYSA-M,,,,,,,,,,,
100.011.417,212-558-4,826-73-3,"6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one","6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one",O=C1CCCCc2ccccc12,O=C1CCCCc2ccccc12,"InChI=1/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2",C11H12O,,,,,,KWHUHTFXMNQHAA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.425,212-567-3,827-21-4,Sodium m-xylene-4-sulphonate,"sodium 2,4-dimethylbenzenesulfonate",[Na+].Cc1ccc(c(C)c1)S(=O)(=O)[O-],[Na+].Cc1ccc(c(C)c1)S(=O)(=O)[O-],"InChI=1/C8H10O3S.Na/c1-6-3-4-8(7(2)5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1",C8H10O3S.Na,,,,,,GJQXYSKWRDJNAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.012.211,213-432-1,947-84-2,o-phenylbenzoic acid,biphenyl-2-carboxylic acid,OC(=O)c1ccccc1c2ccccc2,OC(=O)c1ccccc1c2ccccc2,"InChI=1/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)",C13H10O2,,,,,,ILYSAKHOYBPSPC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.215,213-436-3,948-65-2,2-phenylindole,2-phenyl-1H-indole,c1ccc(cc1)c2cc3ccccc3[nH]2,c1ccc(cc1)c2cc3ccccc3[nH]2,"InChI=1/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H",C14H11N,,,,,,KLLLJCACIRKBDT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.216,213-437-9,949-13-3,o-octylphenol,2-octylphenol,CCCCCCCCc1ccccc1O,CCCCCCCCc1ccccc1O,"InChI=1/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3",C14H22O,,,,,,DUIOKRXOKLLURE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.221,213-443-1,949-69-9,1-benzyl-4-piperidone oxime,1-benzylpiperidin-4-one oxime,ON=C1CCN(Cc2ccccc2)CC1,ON=C1CCN(Cc2ccccc2)CC1,"InChI=1/C12H16N2O/c15-13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2",C12H16N2O,,,,,,VIMRHNNRKUWOIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.224,213-446-8,949-99-5,4-nitro-3-phenyl-L-alanine,4-nitrophenylalanine,NC(Cc1ccc(cc1)N(=O)=O)C(=O)O,NC(Cc1ccc(cc1)N(=O)=O)C(=O)O,"InChI=1/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)",C9H10N2O4,,,,,,GTVVZTAFGPQSPC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.225,213-447-3,950-10-7,Mephosfolan,"diethyl (4-methyl-1,3-dithiolan-2-ylidene)amidophosphate",O=P(OCC)(N=C1SC(C)CS1)OCC,O=P(OCC)(N=C1SC(C)CS1)OCC,"InChI=1/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3",C8H16NO3PS2,,,,,,LTQSAUHRSCMPLD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.230,213-453-6,951-55-3,5-methyl-DL-tryptophan,5-methyl-L-tryptophan,OC(=O)[C@@H](N)Cc2cnc1ccc(C)cc12,OC(=O)[C@@H](N)Cc2cnc1ccc(C)cc12,"InChI=1/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)",C12H14N2O2,,,,,,HUNCSWANZMJLPM-JTQLQIEISA-N,,,,,,,,,,,
100.012.232,213-455-7,951-78-0,2'-deoxyuridine,2'-deoxyuridine,OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O,OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O,"InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)",C9H12N2O5,,,,,,MXHRCPNRJAMMIM-SHYZEUOFSA-N,,,,,,,,,,,
100.012.235,213-458-3,951-97-3,2-acetamido-4-nitrobenzoic acid,2-acetamido-4-nitrobenzoic acid,CC(=O)Nc1cc(ccc1C(=O)O)[N+](=O)[O-],CC(=O)Nc1cc(ccc1C(=O)O)[N+](=O)[O-],"InChI=1/C9H8N2O5/c1-5(12)10-8-4-6(11(15)16)2-3-7(8)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14)",C9H8N2O5,,,,,,OAYHLMVCNPUEPI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.237,213-460-4,952-54-5,Morinamide,N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide,O=C(NCN1CCOCC1)c2cnccn2,O=C(NCN1CCOCC1)c2cnccn2,"InChI=1/C10H14N4O2/c15-10(9-7-11-1-2-12-9)13-8-14-3-5-16-6-4-14/h1-2,7H,3-6,8H2,(H,13,15)",C10H14N4O2,,,,,,GVTLAVKAVSKBKK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.467,214-814-0,1196-41-4,"2,6-dibromo-1H-purine","2,6-dibromo-1H-purine",Brc1nc2ncnc2c(Br)[nH]1,Brc1nc2ncnc2c(Br)[nH]1,"InChI=1/C5H2Br2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)",C5H2Br2N4,,,,,,YPFDNCJJFMAZPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.468,214-815-6,1196-57-2,Quinoxalin-2(1H)-one,quinoxalin-2(1H)-one,O=C1Nc2ccccc2N=C1,O=C1Nc2ccccc2N=C1,"InChI=1/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)",C8H6N2O,,,,,,FFRYUAVNPBUEIC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.469,214-816-1,1196-79-8,"2,5-dimethyl-1H-indole","2,5-dimethyl-1H-indole",Cc1ccc2[nH]c(C)cc2c1,Cc1ccc2[nH]c(C)cc2c1,"InChI=1/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3",C10H11N,,,,,,ZFLFWZRPMDXJCW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.472,214-819-8,1197-19-9,4-(dimethylamino)benzonitrile,4-(dimethylamino)benzonitrile,CN(C)c1ccc(cc1)C#N,CN(C)c1ccc(cc1)C#N,"InChI=1/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3",C9H10N2,,,,,,JYMNQRQQBJIMCV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.473,214-820-3,1197-20-2,"1-(5-methyl-2-furyl)propane-1,2-dione","1-(5-methyl-2-furyl)propane-1,2-dione",CC(=O)C(=O)c1oc(C)cc1,CC(=O)C(=O)c1oc(C)cc1,"InChI=1/C8H8O3/c1-5-3-4-7(11-5)8(10)6(2)9/h3-4H,1-2H3",C8H8O3,,,,,,CSILYJHAPLAXTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.476,214-824-5,1197-34-8,"3,5-diethylphenol","3,5-diethylphenol",CCc1cc(O)cc(CC)c1,CCc1cc(O)cc(CC)c1,"InChI=1/C10H14O/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7,11H,3-4H2,1-2H3",C10H14O,,,,,,LPCJHUPMQKSPDC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.477,214-825-0,1197-37-1,"4-ethoxybenzene-1,2-diamine","4-ethoxybenzene-1,2-diamine",CCOc1ccc(N)c(N)c1,CCOc1ccc(N)c(N)c1,"InChI=1/C8H12N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3",C8H12N2O,,,,,,KLLREYQZEOLXHA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.478,214-826-6,1197-40-6,"2,2-methylenebisfuran","2,2'-methylenedifuran",C(c1occc1)c2occc2,C(c1occc1)c2occc2,"InChI=1/C9H8O2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2",C9H8O2,,,,,,YHGNXEIQSHICNK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.481,214-829-2,1198-14-7,5-bromoquinolin-8-ol,5-bromoquinolin-8-ol,Oc1ccc(Br)c2cccnc12,Oc1ccc(Br)c2cccnc12,"InChI=1/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H",C9H6BrNO,,,,,,WIIUANWSGSTCLG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.484,214-832-9,1198-37-4,"2,4-dimethylquinoline","2,4-dimethylquinoline",Cc1cc(C)c2ccccc2n1,Cc1cc(C)c2ccccc2n1,"InChI=1/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3",C11H11N,,,,,,ZTNANFDSJRRZRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.485,214-833-4,1198-47-6,6-(methylthio)-1H-purin-2-amine,6-(methylsulfanyl)-1H-purin-2-amine,CSc1[nH]c(N)nc2ncnc12,CSc1[nH]c(N)nc2ncnc12,"InChI=1/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)",C6H7N5S,,,,,,YEGKYFQLKYGHAR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.489,214-838-1,1198-77-2,"7,9-dihydro-1H-purine-2,6,8(3H)-trione, monosodium salt",-,[Na+].O=C1NC(=O)C2=C(NC(=O)N2)N1,[Na+].O=C1NC(=O)C2=C(NC(=O)N2)N1,"InChI=1/C5H4N4O3.Na/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);/q;+1",C5H4N4O3.Na,,,,,,NAFSTSRULRIERK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.492,214-841-8,1199-03-7,"Quinoxaline-2,3-dithiol","quinoxaline-2,3-dithiol",Sc1nc2ccccc2nc1S,Sc1nc2ccccc2nc1S,"InChI=1/C8H6N2S2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)",C8H6N2S2,,,,,,YFBUDXNMBTUSOC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.495,214-844-4,1199-46-8,2-amino-4-tert-butylphenol,2-amino-4-tert-butylphenol,CC(C)(C)c1ccc(O)c(N)c1,CC(C)(C)c1ccc(O)c(N)c1,"InChI=1/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3",C10H15NO,,,,,,RPJUVNYXHUCRMG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.181,211-198-5,633-90-9,"Cytidine 2',3'-(hydrogen phosphate)","4-amino-1-[2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidin-2(1H)-one",NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@H]3OP(=O)(O)O[C@@H]23,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@H]3OP(=O)(O)O[C@@H]23,"InChI=1/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)",C9H12N3O7P,,,,,,NMPZCCZXCOMSDQ-XVFCMESISA-N,,,,,,,,,,,
100.010.185,211-203-0,634-02-6,"Guanosine cyclic 2',3'-(hydrogen phosphate)","2-amino-9-(2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl)-9H-purin-6-ol",Nc1nc(O)c2ncn(C3OCC4OP(=O)(O)OC34)c2n1,Nc1nc(O)c2ncn(C3OCC4OP(=O)(O)OC34)c2n1,"InChI=1/C9H10N5O6P/c10-9-12-6-4(7(15)13-9)11-2-14(6)8-5-3(1-18-8)19-21(16,17)20-5/h2-3,5,8H,1H2,(H,16,17)(H3,10,12,13,15)",C10H12N5O7P,,,,,,VKZAQJHLFAGZPB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.189,211-207-2,634-36-6,"1,2,3-trimethoxybenzene","1,2,3-trimethoxybenzene",COc1cccc(OC)c1OC,COc1cccc(OC)c1OC,"InChI=1/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3",C9H12O3,,,,,,CRUILBNAQILVHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.214,211-235-5,635-39-2,"2-amino-1,7-dihydro-6H-purin-6-one monohydrochloride","2-amino-1,9-dihydro-6H-purin-6-one hydrochloride",Cl.NC1=Nc2[nH]cnc2C(=O)N1,Cl.NC1=Nc2[nH]cnc2C(=O)N1,"InChI=1/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H",C5H5N5O.ClH,,,,,,IBAOFQIOOBQLHE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.219,211-240-2,635-67-6,o-phenylene di(acetate),"1,2-phenylene diacetate",CC(=O)Oc1ccccc1OC(=O)C,CC(=O)Oc1ccccc1OC(=O)C,"InChI=1/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3",C10H10O4,,,,,,FBSAITBEAPNWJG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.611,211-671-6,683-19-2,Dioctylphosphinic acid,dioctylphosphinic acid,CCCCCCCCP(=O)(O)CCCCCCCC,CCCCCCCCP(=O)(O)CCCCCCCC,"InChI=1/C16H35O2P/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)",C16H35O2P,,,,,,YTMRJBAHYSIRMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.614,211-674-2,683-72-7,"2,2-dichloroacetamide","2,2-dichloroacetamide",NC(=O)C(Cl)Cl,NC(=O)C(Cl)Cl,"InChI=1/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)",C2H3Cl2NO,,,,,,WCGGWVOVFQNRRS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.616,211-676-3,684-16-2,Hexafluoroacetone,"1,1,1,3,3,3-hexafluoroacetone",FC(F)(F)C(=O)C(F)(F)F,FC(F)(F)C(=O)C(F)(F)F,"InChI=1/C3F6O/c4-2(5,6)1(10)3(7,8)9",C3F6O,,,,,,VBZWSGALLODQNC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.622,211-683-1,685-87-0,Diethyl bromomalonate,diethyl bromomalonate,CCOC(=O)C(Br)C(=O)OCC,CCOC(=O)C(Br)C(=O)OCC,"InChI=1/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3",C7H11BrO4,,,,,,FNJVDWXUKLTFFL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.624,211-685-2,685-91-6,"N,N-diethylacetamide","N,N-diethylacetamide",CCN(CC)C(=O)C,CCN(CC)C(=O)C,"InChI=1/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3",C6H13NO,,,,,,AJFDBNQQDYLMJN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.501,212-650-4,837-08-1,o-[1-(4-hydroxyphenyl)-1-methylethyl]phenol,2-[1-(4-hydroxyphenyl)-1-methylethyl]phenol,CC(C)(c1ccc(O)cc1)c2ccccc2O,CC(C)(c1ccc(O)cc1)c2ccccc2O,"InChI=1/C15H16O2/c1-15(2,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,16-17H,1-2H3",C15H16O2,,,,,,MLCQXUZZAXKTSG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.504,212-654-6,837-83-2,N-(1-glycyl-L-prolyl)-alanine,glycyl-L-prolylalanine,CC(NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O,CC(NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O,"InChI=1/C10H17N3O4/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)",C10H17N3O4,,,,,,GGLIDLCEPDHEJO-MLWJPKLSSA-N,,,,,,,,,,,
100.011.505,212-655-1,838-07-3,2'-deoxy-5-methylcytidine,2'-deoxy-5-methylcytidine,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N,"InChI=1/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)",C10H15N3O4,,,,,,LUCHPKXVUGJYGU-XLPZGREQSA-N,,,,,,,,,,,
100.011.509,212-659-3,839-78-1,4-(fluorosulphonyl)-1-hydroxy-2-naphthoic acid,4-(fluorosulfonyl)-1-hydroxy-2-naphthoic acid,OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)F,OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)F,"InChI=1/C11H7FO5S/c12-18(16,17)9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)",C11H7FO5S,,,,,,CDJFAPNPVPDTDW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.511,212-661-4,840-65-3,"Dimethyl naphthalene-2,6-dicarboxylate","dimethyl naphthalene-2,6-dicarboxylate",COC(=O)c1ccc2cc(ccc2c1)C(=O)OC,COC(=O)c1ccc2cc(ccc2c1)C(=O)OC,"InChI=1/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3",C14H12O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11703,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.511,GYUVMLBYMPKZAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.513,212-664-0,841-06-5,Methoprotryne,"N-isopropyl-N'-(3-methoxypropyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",COCCCNc1nc(NC(C)C)nc(SC)n1,COCCCNc1nc(NC(C)C)nc(SC)n1,"InChI=1/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)",C11H21N5OS,,,,,,DDUIUBPJPOKOMV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.516,212-667-7,841-77-0,1-benzhydrylpiperazine,1-(diphenylmethyl)piperazine,C1CN(CCN1)C(c2ccccc2)c3ccccc3,C1CN(CCN1)C(c2ccccc2)c3ccccc3,"InChI=1/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2",C17H20N2,,,,,,NWVNXDKZIQLBNM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.375,212-512-3,823-36-9,"2-ethylcyclopentane-1,3-dione","2-ethylcyclopentane-1,3-dione",CCC1C(=O)CCC1=O,CCC1C(=O)CCC1=O,"InChI=1/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3",C7H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16598,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.375,YDFBIBUYOUFJMR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.377,212-514-4,823-45-0,2-(hydroxymethylene)cyclohexan-1-one,2-(hydroxymethylene)cyclohexanone,O=C1CCCCC1=CO,O=C1CCCCC1=CO,"InChI=1/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h5,8H,1-4H2",C7H10O2,,,,,,ORTWDKQPXZLPCA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.379,212-517-0,823-76-7,1-cyclohexylethan-1-one,1-cyclohexylethanone,CC(=O)C1CCCCC1,CC(=O)C1CCCCC1,"InChI=1/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3",C8H14O,,,,,,RIFKADJTWUGDOV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.384,212-522-8,823-87-0,Sodium p-nitrosophenolate,sodium 4-nitrosophenolate,[Na+].[O-]c1ccc(cc1)N=O,[Na+].[O-]c1ccc(cc1)N=O,"InChI=1/C6H5NO2.Na/c8-6-3-1-5(7-9)2-4-6;/h1-4,8H;/q;+1/p-1",C6H5NO2.Na,,,,,,NAGJRPZQLWHEHH-UHFFFAOYSA-M,,,,,,,,,,,
100.011.386,212-524-9,824-22-6,4-methylindan,4-methylindane,Cc1cccc2CCCc12,Cc1cccc2CCCc12,"InChI=1/C10H12/c1-8-4-2-5-9-6-3-7-10(8)9/h2,4-5H,3,6-7H2,1H3",C10H12,,,,,,LNNSODHYZXCEJP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.388,212-527-5,824-39-5,Sodium 2-nitrophenolate,sodium 2-nitrophenolate,[Na+].[O-]c1ccccc1[N+](=O)[O-],[Na+].[O-]c1ccccc1[N+](=O)[O-],"InChI=1/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1",C6H5NO3.Na,,,,,,AXKBOWBNOCUNJL-UHFFFAOYSA-M,,,,,,,,,,,
100.006.813,207-492-8,475-25-2,"6a,7-dihydro-3,4,6a,10-tetrahydroxybenz[b]indeno[1,2-d]pyran-9(6H)-one","3,4,6a,10-tetrahydroxy-6a,7-dihydroindeno[2,1-c]chromen-9(6H)-one",OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O,OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O,"InChI=1/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2",C16H12O6,,,,,,HLUCICHZHWJHLL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.816,207-495-4,475-38-7,"5,8-dihydroxy-1,4-naphthoquinone","5,8-dihydroxy-1,4-naphthoquinone",Oc1ccc(O)c2C(=O)C=CC(=O)c12,Oc1ccc(O)c2C(=O)C=CC(=O)c12,"InChI=1/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H",C10H6O4,,,,,,RQNVIKXOOKXAJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.826,207-507-8,476-60-8,"Anthracene-1,4,9,10-tetraol","anthracene-1,4,9,10-tetrol",Oc1ccc(O)c2c(O)c3ccccc3c(O)c12,Oc1ccc(O)c2c(O)c3ccccc3c(O)c12,"InChI=1/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-18H",C14H10O4,,,,,,BKNBVEKCHVXGPH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.620,208-380-1,525-75-7,2-(1-methyl-1H-pyrrol-2-yl)pyridine,2-(1-methyl-1H-pyrrol-2-yl)pyridine,Cn1cccc1c2ccccn2,Cn1cccc1c2ccccn2,"InChI=1/C10H10N2/c1-12-8-4-6-10(12)9-5-2-3-7-11-9/h2-8H,1H3",C10H10N2,,,,,,YRMIZZHAGCDHTG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.621,208-381-7,525-76-8,"2-methyl-4H-3,1-benzoxazin-4-one","2-methyl-4H-3,1-benzoxazin-4-one",CC1=Nc2ccccc2C(=O)O1,CC1=Nc2ccccc2C(=O)O1,"InChI=1/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3",C9H7NO2,,,,,,WMQSKECCMQRJRX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.629,208-390-6,526-36-3,Xylometazoline,"2-(4-tert-butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole",Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C,Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C,"InChI=1/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)",C16H24N2,,,,,,HUCJFAOMUPXHDK-UHFFFAOYSA-N,Positive,EQ303101|EQ303102|EQ303103|EQ303104|EQ303105|EQ303106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,245.2012:115.0544:145.1008|245.2013:189.1387:229.1688|245.2013:189.1386:175.1481|245.2012:189.1386:175.1481|245.2011:189.1385:229.1699|229.17:119.0855:133.1012,Eawag,,,,,
100.007.635,208-396-9,526-78-3,"2,3-dibromosuccinic acid","2,3-dibromosuccinic acid",OC(=O)C(Br)C(Br)C(=O)O,OC(=O)C(Br)C(Br)C(=O)O,"InChI=1/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)",C4H4Br2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18721,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.635,FJWGRXKOBIVTFA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.645,208-408-2,527-09-3,Copper di-D-gluconate,"copper(2+) bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",[Cu+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Cu+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C12H22CuO14,,,,,,OCUCCJIRFHNWBP-IYEMJOQQSA-L,,,,,,,,,,,
100.007.653,208-417-1,527-53-7,"1,2,3,5-tetramethylbenzene","1,2,3,5-tetramethylbenzene",Cc1cc(C)c(C)c(C)c1,Cc1cc(C)c(C)c(C)c1,"InChI=1/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3",C10H14,,,,,,BFIMMTCNYPIMRN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.656,208-420-8,527-61-7,"2,6-dimethyl-p-benzoquinone","2,6-dimethyl-1,4-benzoquinone",CC1=CC(=O)C=C(C)C1=O,CC1=CC(=O)C=C(C)C1=O,"InChI=1/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3",C8H8O2,,,,,,SENUUPBBLQWHMF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.658,208-422-9,527-69-5,2-furoyl chloride,2-furoyl chloride,ClC(=O)c1occc1,ClC(=O)c1occc1,InChI=1/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H,C5H3ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19034,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.658,OFTKFKYVSBNYEC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.659,208-423-4,527-72-0,2-thenoic acid,thiophene-2-carboxylic acid,OC(=O)c1cccs1,OC(=O)c1cccs1,"InChI=1/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",C5H4O2S,,,,,,QERYCTSHXKAMIS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.997,207-696-7,489-41-8,"[1aR-(1aa,4a,4aa,7a,7aß,7ba)]-decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol","1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol",CC1CCC2C1C3C(CCC2(C)O)C3(C)C,CC1CCC2C1C3C(CCC2(C)O)C3(C)C,"InChI=1/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3",C15H26O,,,,,,AYXPYQRXGNDJFU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.998,207-697-2,489-49-6,"9-ethoxymethyl-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxodibenzo[b,e][1,4]dioxepin-7-carboxylic acid","9-(ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid",CCOCc1c(O)c(C(=O)O)c(C)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc12,CCOCc1c(O)c(C(=O)O)c(C)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc12,"InChI=1/C20H18O9/c1-4-27-7-11-15(23)14(19(24)25)9(3)16-18(11)29-20(26)13-8(2)5-12(22)10(6-21)17(13)28-16/h5-6,22-23H,4,7H2,1-3H3,(H,24,25)",C20H18O9,,,,,,SPLUKWYWJOQKMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.000,207-699-3,489-72-5,Oxysparteine,spartein-10-one,O=C1C2CC(CN3CCCCC23)C4CCCCN14,O=C1C2CC(CN3CCCCC23)C4CCCCN14,"InChI=1/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2",C15H24N2O,,,,,,YQMWQSMYVPLYDI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.009,207-709-6,490-31-3,"3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone","3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one",OC1=C(Oc2cc(O)ccc2C1=O)c3cc(O)c(O)c(O)c3,OC1=C(Oc2cc(O)ccc2C1=O)c3cc(O)c(O)c(O)c3,"InChI=1/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",C15H10O7,,,,,,SOEDEYVDCDYMMH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.010,207-710-1,490-46-0,"2-(3,4-dihydroxyphenyl)-2,3,4-trihydro-3,5,7-trihydroxychromene","2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol",OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3,OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3,"InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",C15H14O6,,,,,,PFTAWBLQPZVEMU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.243,213-467-2,953-79-7,1-benzyl-4-(methylamino)piperidine-4-carbonitrile,1-benzyl-4-(methylamino)piperidine-4-carbonitrile,CNC1(CCN(Cc2ccccc2)CC1)C#N,CNC1(CCN(Cc2ccccc2)CC1)C#N,"InChI=1/C14H19N3/c1-16-14(12-15)7-9-17(10-8-14)11-13-5-3-2-4-6-13/h2-6,16H,7-11H2,1H3",C14H19N3,,,,,,NVTHHBZDNKNEDB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.249,213-474-0,955-83-9,"2,5-diphenylfuran","2,5-diphenylfuran",o1c(ccc1c2ccccc2)c3ccccc3,o1c(ccc1c2ccccc2)c3ccccc3,InChI=1/C16H12O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H,C16H12O,,,,,,VUPDHIIPAKIKAB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.254,213-479-8,956-48-9,"2,6-dichloro-N-4-hydroxyphenyl-p-benzoquinone monoimine","2,6-dichloro-4-[(4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one",Oc1ccc(cc1)N=C2C=C(Cl)C(=O)C(=C2)Cl,Oc1ccc(cc1)N=C2C=C(Cl)C(=O)C(=C2)Cl,"InChI=1/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H",C12H7Cl2NO2,,,,,,CCBICDLNWJRFPO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.257,213-482-4,957-51-7,Diphenamid,"N,N-dimethyl-2,2-diphenylacetamide",CN(C)C(=O)C(c1ccccc1)c2ccccc2,CN(C)C(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3",C16H17NO,,,,,,QAHFOPIILNICLA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.258,213-484-5,957-56-2,Fluindione,"2-(4-fluorophenyl)-1H-indene-1,3(2H)-dione",Fc1ccc(cc1)C2C(=O)c3ccccc3C2=O,Fc1ccc(cc1)C2C(=O)c3ccccc3C2=O,"InChI=1/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",C15H9FO2,,,,,,NASXCEITKQITLD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.259,213-485-0,957-68-6,3-acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2C(SC1)C(N)C2=O)C(=O)O,CC(=O)OCC1=C(N2C(SC1)C(N)C2=O)C(=O)O,"InChI=1/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)",C10H12N2O5S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5495,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.259,HSHGZXNAXBPPDL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.260,213-486-6,957-75-5,5-bromouridine,5-bromouridine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(Br)C(=O)NC2=O,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(Br)C(=O)NC2=O,"InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)",C9H11BrN2O6,,,,,,AGFIRQJZCNVMCW-UAKXSSHOSA-N,,,,,,,,,,,
100.010.798,211-876-0,703-95-7,5-fluorouracil-4-carboxylic acid,"5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid",OC(=O)C1=C(F)C(=O)NC(=O)N1,OC(=O)C1=C(F)C(=O)NC(=O)N1,"InChI=1/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)",C5H3FN2O4,,,,,,SEHFUALWMUWDKS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.799,211-877-6,704-00-7,"Benzene-1,2-bis(acetyl)","1,1'-(1,2-phenylene)diethanone",CC(=O)c1ccccc1C(=O)C,CC(=O)c1ccccc1C(=O)C,"InChI=1/C10H10O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H,1-2H3",C10H10O2,,,,,,LVQFKRXRTXCQCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.800,211-878-1,704-01-8,"N,N,N',N'-tetramethylbenzene-1,2-diamine","N,N,N',N'-tetramethylbenzene-1,2-diamine",CN(C)c1ccccc1N(C)C,CN(C)c1ccccc1N(C)C,"InChI=1/C10H16N2/c1-11(2)9-7-5-6-8-10(9)12(3)4/h5-8H,1-4H3",C10H16N2,,,,,,CJVYYDCBKKKIPD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.803,211-881-8,704-83-6,4-fluoro-a-propylbenzyl alcohol,1-(4-fluorophenyl)butan-1-ol,CCCC(O)c1ccc(F)cc1,CCCC(O)c1ccc(F)cc1,"InChI=1/C10H13FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3",C10H13FO,,,,,,IRZIMCQXZSILPU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.808,211-887-0,705-73-7,DL-1-phenylpentan-2-ol,1-phenylpentan-2-ol,CCCC(O)Cc1ccccc1,CCCC(O)Cc1ccccc1,"InChI=1/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3",C11H16O,,,,,,FCURFTSXOIATDW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.812,211-891-2,706-08-1,p-fluoro-ß-nitrostyrene,1-fluoro-4-(2-nitrovinyl)benzene,[O-][N+](=O)\\C=C\\c1ccc(F)cc1,[O-][N+](=O)\C=C\c1ccc(F)cc1,InChI=1/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H,C8H6FNO2,,,,,,VRFSQVFSQAYHRU-AATRIKPKSA-N,,,,,,,,,,,
100.010.813,211-892-8,706-14-9,Decan-4-olide,5-hexyldihydrofuran-2(3H)-one,CCCCCCC1CCC(=O)O1,CCCCCCC1CCC(=O)O1,"InChI=1/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3",C10H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5281,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.813,IFYYFLINQYPWGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.814,211-893-3,706-31-0,"(1E,5E,9Z)-cyclododeca-1,5,9-triene","cyclododeca-1,5,9-triene",C1C\\C=C/CC\\C=C\\CC\\C=C/1,C1C\C=C/CC\C=C\CC\C=C/1,"InChI=1/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2",C12H18,,,,,,ZOLLIQAKMYWTBR-UDIJVJLMSA-N,,,,,,,,,,,
100.010.816,211-895-4,706-79-6,"1,2-dichlorohexafluorocyclopentene","1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene",FC1(F)C(=C(Cl)C(F)(F)C1(F)F)Cl,FC1(F)C(=C(Cl)C(F)(F)C1(F)F)Cl,"InChI=1/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9",C5Cl2F6,,,,,,ABPBVCKGWWGZDP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.818,211-898-0,707-29-9,"3,3-dimethyl-1,5-dioxaspiro[5.5]undecane","3,3-dimethyl-1,5-dioxaspiro[5.5]undecane",CC1(C)COC2(CCCCC2)OC1,CC1(C)COC2(CCCCC2)OC1,"InChI=1/C11H20O2/c1-10(2)8-12-11(13-9-10)6-4-3-5-7-11/h3-9H2,1-2H3",C11H20O2,,,,,,QIFSGRPJUXQGMD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.220,211-241-8,635-78-9,7-hydroxy-3H-phenoxazin-3-one,7-hydroxy-3H-phenoxazin-3-one,Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1,Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1,"InChI=1/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H",C12H7NO3,,,,,,HSSLDCABUXLXKM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.827,213-009-1,911-65-9,Etonitazene,"2-[2-(4-ethoxybenzyl)-5-nitro-1H-benzimidazol-1-yl]-N,N-diethylethanamine",CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+](=O)[O-])cc1,CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+](=O)[O-])cc1,"InChI=1/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3",C22H28N4O3,,,,,,PXDBZSCGSQSKST-UHFFFAOYSA-N,,,,,,,,,,,
100.011.840,213-023-8,915-76-4,"2,4,6-tris(heptafluoropropyl)-1,3,5-triazine","2,4,6-tris(heptafluoropropyl)-1,3,5-triazine",FC(F)(F)C(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12F21N3/c13-4(14,7(19,20)10(25,26)27)1-34-2(5(15,16)8(21,22)11(28,29)30)36-3(35-1)6(17,18)9(23,24)12(31,32)33",C12F21N3,,,,,,KXQUYHRRCVECPV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.849,213-033-2,917-69-1,Cobalt triacetate,-,[Co+2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Co+2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Co/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+2/p-3",C2H4O2.1/3Co,,,,,,VJURIKQDRIJUAR-UHFFFAOYSA-K,,,,,,,,,,,
100.011.850,213-034-8,917-70-4,Lanthanum(3+) acetate,lanthanum triacetate,[La+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[La+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.La/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3La,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11259,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.850,JLRJWBUSTKIQQH-UHFFFAOYSA-K,,,,,,,,,,,
100.011.851,213-035-3,917-92-0,"3,3-dimethylbutyne","3,3-dimethylbut-1-yne",CC(C)(C)C#C,CC(C)(C)C#C,"InChI=1/C6H10/c1-5-6(2,3)4/h1H,2-4H3",C6H10,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12565,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.851,PPWNCLVNXGCGAF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.857,213-042-1,918-37-6,Hexanitroethane,hexanitroethane,[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C2N6O12/c9-3(10)1(4(11)12,5(13)14)2(6(15)16,7(17)18)8(19)20",C2N6O12,,,,,,CCAKQXWHJIKAST-UHFFFAOYSA-N,,,,,,,,,,,
100.011.860,213-045-8,919-16-4,Trilithium citrate,trilithium citrate,[Li+].[Li+].[Li+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Li+].[Li+].[Li+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",C6H8O7.3Li,,,,,,WJSIUCDMWSDDCE-UHFFFAOYSA-K,,,,,,,,,,,
100.011.863,213-048-4,919-30-2,3-aminopropyltriethoxysilane,3-(triethoxysilyl)propan-1-amine,CCO[Si](CCCN)(OCC)OCC,CCO[Si](CCCN)(OCC)OCC,"InChI=1/C9H23NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-10H2,1-3H3",C9H23NO3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15027,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.863,WYTZZXDRDKSJID-UHFFFAOYSA-N,,,,,,,,,,,
100.012.796,214-074-9,1077-57-2,3-(dichlorophenylsilyl)propiononitrile,3-[dichloro(phenyl)silyl]propanenitrile,Cl[Si](Cl)(CCC#N)c1ccccc1,Cl[Si](Cl)(CCC#N)c1ccccc1,"InChI=1/C9H9Cl2NSi/c10-13(11,8-4-7-12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2",C9H9Cl2NSi,,,,,,NVPJPRQHVOYMHE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.797,214-075-4,1077-61-8,"3,4-dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide","6-methylthiochromane 1,1-dioxide",Cc1ccc2c(CCCS2(=O)=O)c1,Cc1ccc2c(CCCS2(=O)=O)c1,"InChI=1/C10H12O2S/c1-8-4-5-10-9(7-8)3-2-6-13(10,11)12/h4-5,7H,2-3,6H2,1H3",C10H12O2S,,,,,,WSZWAAAVGHPCNK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.798,214-077-5,1077-93-6,Ternidazole,3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-1-ol,Cc1ncc([N+](=O)[O-])n1CCCO,Cc1ncc([N+](=O)[O-])n1CCCO,"InChI=1/C7H11N3O3/c1-6-8-5-7(10(12)13)9(6)3-2-4-11/h5,11H,2-4H2,1H3",C7H11N3O3,,,,,,DUOHVNSMLSPTMI-UHFFFAOYSA-N,Positive,AU107001,[M+H]+,CID17.5-26.2,128.0454:186.0877:56.0363,Athens_Univ,,,,,
100.012.816,214-096-9,1080-12-2,4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one,4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one,Oc1ccc(cc1OC)C=CC(C)=O,Oc1ccc(cc1OC)C=CC(C)=O,"InChI=1/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3",C11H12O3,,,,,,AFWKBSMFXWNGRE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.817,214-097-4,1080-32-6,Diethyl benzylphosphonate,diethyl benzylphosphonate,CCOP(=O)(Cc1ccccc1)OCC,CCOP(=O)(Cc1ccccc1)OCC,"InChI=1/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",C11H17O3P,,,,,,AIPRAPZUGUTQKX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.818,214-099-5,1081-09-0,"1,1'-(1,4-dihydro-2,4,6-trimethylpyridine-3,5-diyl)bisethan-1-one","1,1'-(2,4,6-trimethyl-1,4-dihydropyridine-3,5-diyl)diethanone",CC1C(=C(C)NC(=C1C(=O)C)C)C(=O)C,CC1C(=C(C)NC(=C1C(=O)C)C)C(=O)C,"InChI=1/C12H17NO2/c1-6-11(9(4)14)7(2)13-8(3)12(6)10(5)15/h6,13H,1-5H3",C12H17NO2,,,,,,BFHJJFUZJSTSBY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.823,214-105-6,1082-57-1,Tramazoline,"N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine",C1CCc2c(C1)cccc2NC3=NCCN3,C1CCc2c(C1)cccc2NC3=NCCN3,"InChI=1/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)",C13H17N3,,,,,,QQJLHRRUATVHED-UHFFFAOYSA-N,,,,,,,,,,,
100.011.394,212-533-8,824-69-1,"2,5-dichlorohydroquinone","2,5-dichlorobenzene-1,4-diol",Oc1cc(Cl)c(O)cc1Cl,Oc1cc(Cl)c(O)cc1Cl,"InChI=1/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H",C6H4Cl2O2,,,,,,AYNPIRVEWMUJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.396,212-535-9,824-75-9,4-fluorobenzamide,4-fluorobenzamide,NC(=O)c1ccc(F)cc1,NC(=O)c1ccc(F)cc1,"InChI=1/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)",C7H6FNO,,,,,,VNDHYTGVCGVETQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.399,212-539-0,824-86-2,a-(methylsulphinyl)toluene,[(methylsulfinyl)methyl]benzene,CS(=O)Cc1ccccc1,CS(=O)Cc1ccccc1,"InChI=1/C8H10OS/c1-10(9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C8H10OS,,,,,,LISVNGUOWUKZQY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.400,212-540-6,824-94-2,p-(chloromethyl)anisole,1-(chloromethyl)-4-methoxybenzene,COc1ccc(CCl)cc1,COc1ccc(CCl)cc1,"InChI=1/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3",C8H9ClO,,,,,,MOHYOXXOKFQHDC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.401,212-541-1,824-98-6,m-(chloromethyl)anisole,1-(chloromethyl)-3-methoxybenzene,COc1cccc(CCl)c1,COc1cccc(CCl)c1,"InChI=1/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3",C8H9ClO,,,,,,VGISFWWEOGVMED-UHFFFAOYSA-N,,,,,,,,,,,
100.011.404,212-544-8,825-44-5,"Benzo[b]thiophene 1,1-dioxide","1-benzothiophene 1,1-dioxide",O=S1(=O)C=Cc2ccccc12,O=S1(=O)C=Cc2ccccc12,InChI=1/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H,C8H6O2S,,,,,,FRJNKYGTHPUSJR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.414,212-555-8,826-39-1,Mecamylamine hydrochloride,"N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine hydrochloride",Cl.CNC1(C)C2CCC(C2)C1(C)C,Cl.CNC1(C)C2CCC(C2)C1(C)C,"InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H",C11H21N.ClH,,,,,,PKVZBNCYEICAQP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.415,212-556-3,826-55-1,2-phenylisobutyric acid,2-methyl-2-phenylpropanoic acid,CC(C)(C(=O)O)c1ccccc1,CC(C)(C(=O)O)c1ccccc1,"InChI=1/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)",C10H12O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6777,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.415,YYEROYLAYAVZNW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.416,212-557-9,826-62-0,"1,2,3,6-tetrahydro-3,6-methanophthalic anhydride","3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione",O=C1OC(=O)C2C3CC(C=C3)C12,O=C1OC(=O)C2C3CC(C=C3)C12,"InChI=1/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2",C9H8O3,,,,,,KNDQHSIWLOJIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.418,212-560-5,826-74-4,1-vinylnaphthalene,1-vinylnaphthalene,C=Cc1cccc2ccccc12,C=Cc1cccc2ccccc12,"InChI=1/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2",C12H10,,,,,,IGGDKDTUCAWDAN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.419,212-561-0,826-77-7,"4,6-dimethylquinoline","4,6-dimethylquinoline",Cc1ccc2nccc(C)c2c1,Cc1ccc2nccc(C)c2c1,"InChI=1/C11H11N/c1-8-3-4-11-10(7-8)9(2)5-6-12-11/h3-7H,1-2H3",C11H11N,,,,,,JTLZWQVUPZYROB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.212,213-433-7,947-91-1,Diphenylacetaldehyde,diphenylacetaldehyde,O=CC(c1ccccc1)c2ccccc2,O=CC(c1ccccc1)c2ccccc2,"InChI=1/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H",C14H12O,,,,,,HLLGFGBLKOIZOM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.214,213-435-8,948-60-7,"2-amino-1,4-dihydro-4-oxopteridine-6-carboxylic acid","2-amino-4-oxo-1,4-dihydropteridine-6-carboxylic acid",NC1=NC(=O)c2nc(cnc2N1)C(=O)O,NC1=NC(=O)c2nc(cnc2N1)C(=O)O,"InChI=1/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)",C7H5N5O3,,,,,,QABAUCFGPWONOG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.218,213-440-5,949-42-8,"2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine","2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine",Cc1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,Cc1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3",C6H3Cl6N3,,,,,,LETDRANQSOEVCX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.222,213-444-7,949-87-1,4-methylazobenzene,1-(4-methylphenyl)-2-phenyldiazene,Cc1ccc(cc1)N=Nc2ccccc2,Cc1ccc(cc1)N=Nc2ccccc2,"InChI=1/C13H12N2/c1-11-7-9-13(10-8-11)15-14-12-5-3-2-4-6-12/h2-10H,1H3",C13H12N2,,,,,,GIJSVMOPNUOZBC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.229,213-452-0,950-81-2,"2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde","1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde",CN1N(C(=O)C(=C1C)C=O)c2ccccc2,CN1N(C(=O)C(=C1C)C=O)c2ccccc2,"InChI=1/C12H12N2O2/c1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",C12H12N2O2,,,,,,QFYZFYDOEJZMDX-UHFFFAOYSA-N,Positive,UF410701|UF410702|UF410703|UF410704,[M+H]+,HCD55|HCD80|CID35|CID55,217.0972:215.0817:111.0441|106.0651:83.0492:77.0386|217.0972:106.0652:147.0918|106.0651:147.0917:189.1023,UFZ,,,,,
100.012.231,213-454-1,951-77-9,2'-deoxycytidine,2'-deoxycytidine,NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO)O2,NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO)O2,"InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)",C9H13N3O4,,,,,,CKTSBUTUHBMZGZ-SHYZEUOFSA-N,,,,,,,,,,,
100.012.233,213-456-2,951-82-6,"3,4,5-trimethoxyphenylacetic acid","(3,4,5-trimethoxyphenyl)acetic acid",COc1cc(CC(=O)O)cc(OC)c1OC,COc1cc(CC(=O)O)cc(OC)c1OC,"InChI=1/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)",C11H14O5,,,,,,DDSJXCGGOXKGSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.011,207-711-7,490-52-8,"5,7,8,15-tetrahydro-4-hydroxy-3-methoxy-6-methyl[1,3]benzodioxolo[5,6-e][2]benzazecin-14(6H)-one","4-hydroxy-3-methoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one",COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1O,COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1O,"InChI=1/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)16(22)7-12-3-4-17(24-2)20(23)15(12)10-21/h3-4,8-9,23H,5-7,10-11H2,1-2H3",C20H21NO5,,,,,,RSMSJQDBPYSXHH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.014,207-714-3,490-59-5,"1,2,3,4-tetrahydrobenzopteridine-2,4-dione","benzo[g]pteridine-2,4-diol",Oc1nc(O)c2nc3ccccc3nc2n1,Oc1nc(O)c2nc3ccccc3nc2n1,"InChI=1/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)",C10H6N4O2,,,,,,HAUGRYOERYOXHX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.015,207-715-9,490-64-2,"2,4,5-trimethoxybenzoic acid","2,4,5-trimethoxybenzoic acid",COc1cc(OC)c(cc1OC)C(=O)O,COc1cc(OC)c(cc1OC)C(=O)O,"InChI=1/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)",C10H12O5,,,,,,KVZUCOGWKYOPID-UHFFFAOYSA-N,,,,,,,,,,,
100.007.016,207-716-4,490-78-8,"2',5'-dihydroxyacetophenone","1-(2,5-dihydroxyphenyl)ethanone",CC(=O)c1cc(O)ccc1O,CC(=O)c1cc(O)ccc1O,"InChI=1/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3",C8H8O3,,,,,,WLDWSGZHNBANIO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.029,207-731-6,491-14-5,"5-(3,5-di-sec-butylcyclopent-1-enyl)-2,3,5-trihydroxyvaleric acid","4-deoxy-5-C-(3,5-di-sec-butylcyclopent-1-en-1-yl)pentonic acid",CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(O)C(O)C(=O)O,CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(O)C(O)C(=O)O,"InChI=1/C18H32O5/c1-5-10(3)12-7-13(11(4)6-2)14(8-12)15(19)9-16(20)17(21)18(22)23/h8,10-13,15-17,19-21H,5-7,9H2,1-4H3,(H,22,23)",C18H32O5,,,,,,RKOUCPMGBBKLNK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.033,207-735-8,491-36-1,Quinazolin-4(1H)-one,quinazolin-4(1H)-one,O=C1N=CNc2ccccc12,O=C1N=CNc2ccccc12,"InChI=1/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)",C8H6N2O,,,,,,QMNUDYFKZYBWQX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.034,207-736-3,491-37-2,Chroman-4-one,"2,3-dihydro-4H-chromen-4-one",O=C1CCOc2ccccc12,O=C1CCOc2ccccc12,"InChI=1/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2",C9H8O2,,,,,,MSTDXOZUKAQDRL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.037,207-740-5,491-58-7,"1,8-dihydroxy-3-methylanthracen-9(10H)-one","1,8-dihydroxy-3-methylanthracen-9(10H)-one",Cc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1,Cc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1,"InChI=1/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3",C15H12O3,,,,,,ZZBWSNKBZKPGAK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.040,207-743-1,491-78-1,5-hydroxy-2-phenyl-4-benzopyrone,5-hydroxy-2-phenyl-4H-chromen-4-one,Oc1cccc2OC(=CC(=O)c12)c3ccccc3,Oc1cccc2OC(=CC(=O)c12)c3ccccc3,"InChI=1/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H",C15H10O3,,,,,,IYBLVRRCNVHZQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.532,209-384-6,575-41-7,"1,3-dimethylnaphthalene","1,3-dimethylnaphthalene",Cc1cc(C)c2ccccc2c1,Cc1cc(C)c2ccccc2c1,"InChI=1/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3",C12H12,,,,,,QHJMFSMPSZREIF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.534,209-386-7,575-44-0,"Naphthalene-1,6-diol","naphthalene-1,6-diol",Oc1ccc2c(O)cccc2c1,Oc1ccc2c(O)cccc2c1,"InChI=1/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H",C10H8O2,,,,,,FZZQNEVOYIYFPF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.535,209-387-2,575-47-3,Sodium 6-hexanamidopenicillanate,"sodium 6-(hexanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CCCCCC(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O[Na],CCCCCC(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O[Na],"InChI=1/C14H22N2O4S.Na/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16;/h9-10,12H,4-7H2,1-3H3,(H,15,17)(H,19,20);/q;+1/p-1",C14H22N2O4S.Na,,,,,,PGGDFLXSXDLMKV-UHFFFAOYSA-M,,,,,,,,,,,
100.008.536,209-388-8,575-61-1,3-benzylidenephthalide,3-benzylidene-2-benzofuran-1(3H)-one,O=C2OC(=Cc1ccccc1)c3ccccc23,O=C2OC(=Cc1ccccc1)c3ccccc23,InChI=1/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H,C15H10O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8306,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.536,YRTPZXMEBGTPLM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.538,209-390-9,575-74-6,Buclosamide,N-butyl-4-chloro-2-hydroxybenzamide,CCCCNC(=O)c1ccc(Cl)cc1O,CCCCNC(=O)c1ccc(Cl)cc1O,"InChI=1/C11H14ClNO2/c1-2-3-6-13-11(15)9-5-4-8(12)7-10(9)14/h4-5,7,14H,2-3,6H2,1H3,(H,13,15)",C11H14ClNO2,,,,,,ZGJHIFYEQJEUKA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.555,209-409-0,577-19-5,1-bromo-2-nitrobenzene,1-bromo-2-nitrobenzene,[O-][N+](=O)c1ccccc1Br,[O-][N+](=O)c1ccccc1Br,InChI=1/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,C6H4BrNO2,,,,,,ORPVVAKYSXQCJI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.558,209-412-7,577-55-9,"1,2-bis(1-methylethyl)benzene","1,2-diisopropylbenzene",CC(C)c1ccccc1C(C)C,CC(C)c1ccccc1C(C)C,"InChI=1/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3",C12H18,,,,,,OKIRBHVFJGXOIS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.560,209-414-8,577-59-3,2'-nitroacetophenone,1-(2-nitrophenyl)ethanone,CC(=O)c1ccccc1[N+](=O)[O-],CC(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3",C8H7NO3,,,,,,SUGXZLKUDLDTKX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.820,211-901-5,707-61-9,"2,3-dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide","4-methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide",CC1=CP(=O)(CC1)c2ccccc2,CC1=CP(=O)(CC1)c2ccccc2,"InChI=1/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3",C11H13OP,,,,,,YMKWWHFRGALXLE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.822,211-903-6,708-64-5,"2,2,2-trifluoro-1-(3-fluorophenyl)ethan-1-one","2,2,2-trifluoro-1-(3-fluorophenyl)ethanone",Fc1cccc(c1)C(=O)C(F)(F)F,Fc1cccc(c1)C(=O)C(F)(F)F,"InChI=1/C8H4F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H",C8H4F4O,,,,,,NQSPTMFCJGKOQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.833,211-915-1,710-04-3,6-hexyltetrahydro-2H-pyran-2-one,6-hexyltetrahydro-2H-pyran-2-one,CCCCCCC1CCCC(=O)O1,CCCCCCC1CCCC(=O)O1,"InChI=1/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3",C11H20O2,,,,,,YZRXRLLRSPQHDK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.834,211-916-7,710-11-2,2-oxo-4-phenylbutyric acid,2-oxo-4-phenylbutanoic acid,OC(=O)C(=O)CCc1ccccc1,OC(=O)C(=O)CCc1ccccc1,"InChI=1/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)",C10H10O3,,,,,,PPKAIMDMNWBOKN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.836,211-918-8,711-79-5,1'-hydroxy-2'-acetonaphthone,1-(1-hydroxy-2-naphthyl)ethanone,CC(=O)c1ccc2ccccc2c1O,CC(=O)c1ccc2ccccc2c1O,"InChI=1/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3",C12H10O2,,,,,,JBGJVMVWYWUVOW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.838,211-920-9,712-24-3,2-nitrosulphanilic acid,4-amino-2-nitrobenzenesulfonic acid,Nc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)O,Nc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C6H6N2O5S/c7-4-1-2-6(14(11,12)13)5(3-4)8(9)10/h1-3H,7H2,(H,11,12,13)",C6H6N2O5S,,,,,,ZNMGCJDUZADKPW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.839,211-921-4,712-48-1,Chlorodiphenylarsine,diphenylarsinous chloride,Cl[As](c1ccccc1)c2ccccc2,Cl[As](c1ccccc1)c2ccccc2,InChI=1/C12H10AsCl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C12H10AsCl,,,,,,YHHKGKCOLGRKKB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.840,211-923-5,712-50-5,Cyclohexyl phenyl ketone,cyclohexyl(phenyl)methanone,O=C(C1CCCCC1)c2ccccc2,O=C(C1CCCCC1)c2ccccc2,"InChI=1/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2",C13H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1898,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.840,BMFYCFSWWDXEPB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.845,211-928-2,713-41-7,2-amino-4-(trifluoromethyl)benzamide,2-amino-4-(trifluoromethyl)benzamide,NC(=O)c1ccc(cc1N)C(F)(F)F,NC(=O)c1ccc(cc1N)C(F)(F)F,"InChI=1/C8H7F3N2O/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H2,13,14)",C8H7F3N2O,,,,,,OUHZMLIWMQFCIR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.846,211-929-8,713-46-2,2-(4-tert-butylphenoxy)ethanol,2-(4-tert-butylphenoxy)ethanol,CC(C)(C)c1ccc(OCCO)cc1,CC(C)(C)c1ccc(OCCO)cc1,"InChI=1/C12H18O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7,13H,8-9H2,1-3H3",C12H18O2,,,,,,KGPFHDDLZCYWAO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.522,212-674-5,842-19-3,"Disodium 7-hydroxynaphthalene-1,3-disulphonate","disodium 7-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].Oc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2Na,,,,,,IEXIPYCHASVPFD-UHFFFAOYSA-L,,,,,,,,,,,
100.011.524,212-676-6,843-33-4,4-[(4-nitrophenyl)azo]pyrocatechol,"4-[(4-nitrophenyl)diazenyl]benzene-1,2-diol",Oc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2O,Oc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2O,"InChI=1/C12H9N3O4/c16-11-6-3-9(7-12(11)17)14-13-8-1-4-10(5-2-8)15(18)19/h1-7,16-17H",C12H9N3O4,,,,,,DGOZWUSVOBKXNR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.530,212-682-9,845-10-3,Sodium 2-(p-(dimethylamino)phenylazo)benzoate,sodium 2-{[4-(dimethylamino)phenyl]diazenyl}benzoate,[Na+].CN(C)c2ccc(N=Nc1ccccc1C([O-])=O)cc2,[Na+].CN(C)c2ccc(N=Nc1ccccc1C([O-])=O)cc2,"InChI=1/C15H15N3O2.Na/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);/q;+1/p-1",C15H15N3O2.Na,,,,,,GNTPCYMJCJNRQB-UHFFFAOYSA-M,,,,,,,,,,,
100.011.532,212-685-5,846-46-8,"5-a-androstane-3,17-dione","androstane-3,17-dione",CC12CCC(=O)CC1CCC3C2CCC4(C)C3CCC4=O,CC12CCC(=O)CC1CCC3C2CCC4(C)C3CCC4=O,"InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3",C19H28O2,,,,,,RAJWOBJTTGJROA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.533,212-686-0,846-48-0,Boldenone,"17-hydroxyandrosta-1,4-dien-3-one",C[C@]43/C=C\\C(=O)\\C=C4\\CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]43/C=C\C(=O)\C=C4\CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12,"InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3",C19H26O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2214,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.533,RSIHSRDYCUFFLA-DYKIIFRCSA-N,,,,,,,,,,,
100.011.535,212-688-1,846-50-4,Temazepam,"7-chloro-3-hydroxy-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13,CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3",C16H13ClN2O2,,,,,,SEQDDYPDSLOBDC-UHFFFAOYSA-N,Positive,AU155701|AU155702|AU155703|AU155704|AU155705;SM860501,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35,301.0738:303.0714:302.0765|255.0685:283.0632:257.0653|255.0679:257.0652:256.071|255.0679:257.065:193.0875|255.068:177.0205:193.0876;255.0683:301.0739:283.0633,Athens_Univ;CASMI_2016,,,,,
100.012.824,214-106-1,1082-85-5,"1-(4-acetylphenyl)-1H-pyrrole-2,5-dione","1-(4-acetylphenyl)-1H-pyrrole-2,5-dione",CC(=O)c1ccc(cc1)N2C(=O)C=CC2=O,CC(=O)c1ccc(cc1)N2C(=O)C=CC2=O,"InChI=1/C12H9NO3/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(13)16/h2-7H,1H3",C12H9NO3,,,,,,ISGBKWSEHGAUNF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.826,214-108-2,1083-48-3,4-(4-nitrobenzyl)pyridine,4-(4-nitrobenzyl)pyridine,[O-][N+](=O)c1ccc(Cc2ccncc2)cc1,[O-][N+](=O)c1ccc(Cc2ccncc2)cc1,"InChI=1/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2",C12H10N2O2,,,,,,MNHKUCBXXMFQDM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.831,214-114-5,1084-76-0,"N-(2,4-dinitrophenyl)glycine","N-(2,4-dinitrophenyl)glycine",OC(=O)CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],OC(=O)CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H7N3O6/c12-8(13)4-9-6-2-1-5(10(14)15)3-7(6)11(16)17/h1-3,9H,4H2,(H,12,13)",C8H7N3O6,,,,,,RQPREKYEHBAOAR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.832,214-115-0,1085-12-7,Heptyl 4-hydroxybenzoate,heptyl 4-hydroxybenzoate,CCCCCCCOC(=O)c1ccc(O)cc1,CCCCCCCOC(=O)c1ccc(O)cc1,"InChI=1/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3",C14H20O3,,,,,,ZTJORNVITHUQJA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.835,214-118-7,1085-98-9,Dichlofluanid,"N-{[dichloro(fluoro)methyl]sulfanyl}-N',N'-dimethyl-N-phenylsulfamide",CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,"InChI=1/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3",C9H11Cl2FN2O2S2,,,,,,WURGXGVFSMYFCG-UHFFFAOYSA-N,Positive,AU313401|AU313402|AU313403|AU313404;EQ029701|EQ029702|EQ029703|EQ029704|EQ029705|EQ029706,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,223.9493:225.9459:224.9515|223.9493:123.0131:225.9459|123.013:223.9493:225.9459|123.0131:122.0051:223.9502;223.9497:123.0135:121.0885|123.0137:223.9498:121.0886|123.0137:223.9498:121.0887|123.0137:95.0491:96.0028|123.0137:95.0491:96.0028|123.0136:95.0491:96.0028,Athens_Univ;Eawag,,,,,
100.009.355,210-289-7,612-05-5,Methyl ß-D-xylopyranoside,methyl beta-D-xylopyranoside,CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3",C6H12O5,,,,,,ZBDGHWFPLXXWRD-JGWLITMVSA-N,,,,,,,,,,,
100.009.356,210-290-2,612-11-3,"3,4-diethylpyridine","3,4-diethylpyridine",CCc1ccncc1CC,CCc1ccncc1CC,"InChI=1/C9H13N/c1-3-8-5-6-10-7-9(8)4-2/h5-7H,3-4H2,1-2H3",C9H13N,,,,,,APVBPNQCNREQQD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.361,210-296-5,612-16-8,2-methoxybenzyl alcohol,(2-methoxyphenyl)methanol,COc1ccccc1CO,COc1ccccc1CO,"InChI=1/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3",C8H10O2,,,,,,WYLYBQSHRJMURN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.365,210-300-5,612-23-7,a-chloro-2-nitrotoluene,1-(chloromethyl)-2-nitrobenzene,[O-][N+](=O)c1ccccc1CCl,[O-][N+](=O)c1ccccc1CCl,"InChI=1/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2",C7H6ClNO2,,,,,,BXCBUWKTXLWPSB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.368,210-303-1,612-28-2,N-methyl-2-nitroaniline,N-methyl-2-nitroaniline,CNc1ccccc1[N+](=O)[O-],CNc1ccccc1[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3",C7H8N2O2,,,,,,KFBOUJZFFJDYTA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.370,210-305-2,612-35-1,o-benzylbenzoic acid,2-benzylbenzoic acid,OC(=O)c1ccccc1Cc2ccccc2,OC(=O)c1ccccc1Cc2ccccc2,"InChI=1/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)",C14H12O2,,,,,,FESDHLLVLYZNFY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.375,210-311-5,612-42-0,N-(carboxymethyl)anthranilic acid,2-[(carboxymethyl)amino]benzoic acid,OC(=O)CNc1ccccc1C(=O)O,OC(=O)CNc1ccccc1C(=O)O,"InChI=1/C9H9NO4/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)",C9H9NO4,,,,,,PJUXPMVQAZLJEX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.378,210-314-1,612-57-7,6-chloroquinoline,6-chloroquinoline,Clc1ccc2ncccc2c1,Clc1ccc2ncccc2c1,InChI=1/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,C9H6ClN,,,,,,GKJSZXGYFJBYRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.379,210-315-7,612-58-8,3-methylquinoline,3-methylquinoline,Cc1cnc2ccccc2c1,Cc1cnc2ccccc2c1,"InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3",C10H9N,,,,,,DTBDAFLSBDGPEA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.380,210-316-2,612-60-2,7-methylquinoline,7-methylquinoline,Cc1ccc2cccnc2c1,Cc1ccc2cccnc2c1,"InChI=1/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H3",C10H9N,,,,,,KDYVCOSVYOSHOL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.400,210-338-2,613-35-4,"N,N'-[1,1'-biphenyl]-4,4'-diylbisacetamide","N,N'-biphenyl-4,4'-diyldiacetamide",CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)C)cc2,CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)C)cc2,"InChI=1/C16H16N2O2/c1-11(19)17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)",C16H16N2O2,,,,,,CZVHCFKUXGRABC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.401,210-339-8,613-37-6,"4-methoxy-1,1'-biphenyl",4-methoxybiphenyl,COc1ccc(cc1)c2ccccc2,COc1ccc(cc1)c2ccccc2,"InChI=1/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3",C13H12O,,,,,,RHDYQUZYHZWTCI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.405,210-344-5,613-46-7,2-naphthonitrile,2-naphthonitrile,N#Cc1ccc2ccccc2c1,N#Cc1ccc2ccccc2c1,InChI=1/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,C11H7N,,,,,,AZKDTTQQTKDXLH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.225,211-247-0,636-00-0,5-(2-aminoethyl)-4-hydroxypyrocatechol hydrobromide,"5-(2-aminoethyl)benzene-1,2,4-triol hydrobromide",Br.NCCc1cc(O)c(O)cc1O,Br.NCCc1cc(O)c(O)cc1O,"InChI=1/C8H11NO3.BrH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H",C8H11NO3.BrH,,,,,,MLACDGUOKDOLGC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.239,213-463-0,953-26-4,Ethyl 4-nitrocinnamate,ethyl 3-(4-nitrophenyl)acrylate,CCOC(=O)\\C=C\\c1ccc(cc1)[N+](=O)[O-],CCOC(=O)\C=C\c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3",C11H11NO4,,,,,,PFBQVGXIMLXCQB-VMPITWQZSA-N,,,,,,,,,,,
100.012.247,213-471-4,955-07-7,"3,5-dinitrosalicylohydrazide","2-hydroxy-3,5-dinitrobenzohydrazide",NNC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],NNC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N4O6/c8-9-7(13)4-1-3(10(14)15)2-5(6(4)12)11(16)17/h1-2,12H,8H2,(H,9,13)",C7H6N4O6,,,,,,HWTXGJCHJRRKNS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.250,213-475-6,956-03-6,"[2-(benzoyloxy)-1,1-dimethylethyl]propylammonium chloride","N-[2-(benzoyloxy)-1,1-dimethylethyl]propan-1-aminium chloride",[Cl-].CCC[NH2+]C(C)(C)COC(=O)c1ccccc1,[Cl-].CCC[NH2+]C(C)(C)COC(=O)c1ccccc1,"InChI=1/C14H21NO2.ClH/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7-9-12;/h5-9,15H,4,10-11H2,1-3H3;1H",C14H21NO2.ClH,,,,,,LKHWKAGQNOMUFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.256,213-481-9,957-18-6,"2,3-dimethyl-1,4-dioxaspiro[4.11]hexadecane","2,3-dimethyl-1,4-dioxaspiro[4.11]hexadecane",CC1OC2(CCCCCCCCCCC2)OC1C,CC1OC2(CCCCCCCCCCC2)OC1C,"InChI=1/C16H30O2/c1-14-15(2)18-16(17-14)12-10-8-6-4-3-5-7-9-11-13-16/h14-15H,3-13H2,1-2H3",C16H30O2,,,,,,WNWSBQSNVBSDST-UHFFFAOYSA-N,,,,,,,,,,,
100.012.261,213-487-1,957-77-7,5-hydroxyuridine,5-hydroxyuridine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(O)C(=O)NC2=O,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(O)C(=O)NC2=O,"InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)",C9H12N2O7,,,,,,QXDXBKZJFLRLCM-UAKXSSHOSA-N,,,,,,,,,,,
100.010.804,211-882-3,705-15-7,1-(2-hydroxy-5-methoxyphenyl)ethan-1-one,1-(2-hydroxy-5-methoxyphenyl)ethanone,COc1ccc(O)c(c1)C(=O)C,COc1ccc(O)c(c1)C(=O)C,"InChI=1/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3",C9H10O3,,,,,,MLIBGOFSXXWRIY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.805,211-883-9,705-16-8,"trans-(±)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid",CC(=CC1C(C(=O)O)C1(C)C)C,CC(=CC1C(C(=O)O)C1(C)C)C,"InChI=1/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)",C10H16O2,,,,,,XLOPRKKSAJMMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.807,211-886-5,705-58-8,3-methyl-1-phenylbutan-2-ol,3-methyl-1-phenylbutan-2-ol,CC(C)C(O)Cc1ccccc1,CC(C)C(O)Cc1ccccc1,"InChI=1/C11H16O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3",C11H16O,,,,,,AFLKKLSCQQGOEK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.819,211-899-6,707-55-1,"1,1,2,3,4,5,6-heptachlorocyclohexane","1,1,2,3,4,5,6-heptachlorocyclohexane",ClC1C(Cl)C(Cl)C(Cl)(Cl)C(Cl)C1Cl,ClC1C(Cl)C(Cl)C(Cl)(Cl)C(Cl)C1Cl,"InChI=1/C6H5Cl7/c7-1-2(8)4(10)6(12,13)5(11)3(1)9/h1-5H",C6H5Cl7,,,,,,DWMMFAQCEHVJPE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.823,211-904-1,708-76-9,"4,6-dimethoxysalicylaldehyde","2-hydroxy-4,6-dimethoxybenzaldehyde",COc1cc(O)c(C=O)c(OC)c1,COc1cc(O)c(C=O)c(OC)c1,"InChI=1/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3",C9H10O4,,,,,,FQRQWPNYJOFDLO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.825,211-906-2,709-09-1,4-nitroveratrole,"1,2-dimethoxy-4-nitrobenzene",COc1ccc(cc1OC)[N+](=O)[O-],COc1ccc(cc1OC)[N+](=O)[O-],"InChI=1/C8H9NO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3",C8H9NO4,,,,,,YFWBUVZWCBFSQN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.831,211-913-0,709-63-7,1-[4-(trifluoromethyl)phenyl]ethan-1-one,1-[4-(trifluoromethyl)phenyl]ethanone,CC(=O)c1ccc(cc1)C(F)(F)F,CC(=O)c1ccc(cc1)C(F)(F)F,"InChI=1/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3",C9H7F3O,,,,,,HHAISVSEJFEWBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.837,211-919-3,712-09-4,5-methoxy-1H-indole-3-ethanol,2-(5-methoxy-1H-indol-3-yl)ethanol,COc1ccc2[nH]cc(CCO)c2c1,COc1ccc2[nH]cc(CCO)c2c1,"InChI=1/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3",C11H13NO2,,,,,,QLWKTGDEPLRFAT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.842,211-925-6,712-68-5,"5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-ylamine","5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-amine",Nc1nnc(s1)c2oc(cc2)[N+](=O)[O-],Nc1nnc(s1)c2oc(cc2)[N+](=O)[O-],"InChI=1/C6H4N4O3S/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)",C6H4N4O3S,,,,,,SXZZHGJWUBJKHH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.843,211-926-1,712-97-0,6-nitropiperonal,"6-nitro-1,3-benzodioxole-5-carbaldehyde",[O-][N+](=O)c1cc2OCOc2cc1C=O,[O-][N+](=O)c1cc2OCOc2cc1C=O,"InChI=1/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2",C8H5NO5,,,,,,NRZWECORTTWSEF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.844,211-927-7,713-36-0,o-benzyltoluene,1-benzyl-2-methylbenzene,Cc1ccccc1Cc2ccccc2,Cc1ccccc1Cc2ccccc2,"InChI=1/C14H14/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3",C14H14,,,,,,PQTAUFTUHHRKSS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.520,212-671-9,842-17-1,"Disodium 7-aminonaphthalene-1,3-disulphonate","disodium 7-aminonaphthalene-1,3-disulfonate",[Na+].[Na+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.2Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H9NO6S2.2Na,,,,,,OHWJIXLZUWRMQY-UHFFFAOYSA-L,,,,,,,,,,,
100.008.563,209-417-4,577-91-3,"3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropionic acid","3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid",OC(=O)C(Cc1cc(I)c(O)c(I)c1)c2ccccc2,OC(=O)C(Cc1cc(I)c(O)c(I)c1)c2ccccc2,"InChI=1/C15H12I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-5,7-8,11,18H,6H2,(H,19,20)",C15H12I2O3,,,,,,IKYIXZSIKOYSLD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.568,209-423-7,578-46-1,5-methyl-o-nitroaniline,5-methyl-2-nitroaniline,Cc1ccc(c(N)c1)[N+](=O)[O-],Cc1ccc(c(N)c1)[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3",C7H8N2O2,,,,,,IGDYNWKWXUCIJB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.573,209-428-4,578-67-6,Quinolin-5-ol,quinolin-5-ol,Oc1cccc2ncccc12,Oc1cccc2ncccc12,"InChI=1/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H",C9H7NO,,,,,,GYESAYHWISMZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.574,209-430-5,578-74-5,7-(ß-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",C21H20O10,,,,,,KMOUJOKENFFTPU-QNDFHXLGSA-N,,,,,,,,,,,
100.008.576,209-432-6,578-85-8,"4-hydroxynaphthalene-2,7-disulphonic acid","4-hydroxynaphthalene-2,7-disulfonic acid",Oc1cc(cc2cc(ccc12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2cc(ccc12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)",C10H8O7S2,,,,,,TZBROGJRQUABOK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.579,209-435-2,579-07-7,"1-phenylpropane-1,2-dione","1-phenylpropane-1,2-dione",CC(=O)C(=O)c1ccccc1,CC(=O)C(=O)c1ccccc1,"InChI=1/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3",C9H8O2,,,,,,BVQVLAIMHVDZEL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.580,209-436-8,579-10-2,N-methylacetanilide,N-methyl-N-phenylacetamide,CN(C(=O)C)c1ccccc1,CN(C(=O)C)c1ccccc1,"InChI=1/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3",C9H11NO,,,,,,LMTGCJANOQOGPI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.581,209-437-3,579-13-5,Oligomycin A,"22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione",CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)\\C=C\\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\\C=C\\C=C\\1)[C@H]2C,CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C,"InChI=1/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3",C45H74O11,,,,,,MNULEGDCPYONBU-WMBHJXFZSA-N,,,,,,,,,,,
100.006.830,207-512-5,477-27-0,Colchiceine,"N-(10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide",CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=C\\C=C(\\O)C(=O)\\C=C12,CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=C\C=C(\O)C(=O)\C=C12,"InChI=1/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)",C21H23NO6,,,,,,PRGILOMAMBLWNG-HNNXBMFYSA-N,,,,,,,,,,,
100.006.832,207-514-6,477-30-5,Demecolcine,"1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one",CNC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13,CNC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13,"InChI=1/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3",C21H25NO5,,,,,,NNJPGOLRFBJNIW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.833,207-515-1,477-32-7,Visnadine,"10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl 2-methylbutanoate",CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3C=CC(=O)Oc23,CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3C=CC(=O)Oc23,"InChI=1/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3",C21H24O7,,,,,,GVBNSPFBYXGREE-CXWAGAITSA-N,,,,,,,,,,,
100.006.836,207-518-8,477-73-6,"3,7-diamino-2,8-dimethyl-5-phenylphenazinium chloride","3,7-diamino-2,8-dimethyl-5-phenylphenazin-5-ium chloride",[Cl-].Cc1cc2nc3cc(C)c(N)cc3[n+](c4ccccc4)c2cc1N,[Cl-].Cc1cc2nc3cc(C)c(N)cc3[n+](c4ccccc4)c2cc1N,"InChI=1/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H",C20H19N4.Cl,,,,,,OARRHUQTFTUEOS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.845,207-528-2,479-23-2,Cholanthrene,"1,2-dihydrocyclopenta[ij]tetraphene",C1Cc2c3ccc4ccccc4c3cc5cccc1c25,C1Cc2c3ccc4ccccc4c3cc5cccc1c25,"InChI=1/C20H14/c1-2-7-16-13(4-1)8-10-17-18-11-9-14-5-3-6-15(20(14)18)12-19(16)17/h1-8,10,12H,9,11H2",C20H14,,,,,,KVFJBIQWENJTDM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.536,212-689-7,846-63-9,2-(1-naphthyl)-5-phenyloxazole,"2-(1-naphthyl)-5-phenyl-1,3-oxazole",o1c(cnc1c2cccc3ccccc23)c4ccccc4,o1c(cnc1c2cccc3ccccc23)c4ccccc4,InChI=1/C19H13NO/c1-2-8-15(9-3-1)18-13-20-19(21-18)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,C19H13NO,,,,,,WWVFJJKBBZXWFV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.537,212-690-2,846-70-8,"Disodium 5,7-dinitro-8-oxidonaphthalene-2-sulphonate","disodium 5,7-dinitro-8-oxidonaphthalene-2-sulfonate",[Na]Oc1c(cc(c2ccc(cc12)S(=O)(=O)O[Na])N(=O)=O)N(=O)=O,[Na]Oc1c(cc(c2ccc(cc12)S(=O)(=O)O[Na])N(=O)=O)N(=O)=O,"InChI=1/C10H6N2O8S.2Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;2*+1/p-2/rC10H5N2NaO8S.Na/c13-21-22(19,20)5-1-2-6-7(3-5)10(14)9(12(17)18)4-8(6)11(15)16;/h1-4,14H;/q;+1/p-1",C10H6N2O8S.2Na,,,,,,CTIQLGJVGNGFEW-UHFFFAOYSA-L,,,,,,,,,,,
100.011.542,212-696-5,847-86-9,4-hydroxy-3-methoxy-17-methylmorphinan-6-one,4-hydroxy-3-methoxy-17-methylmorphinan-6-one,COc1ccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3C)c2c1O,COc1ccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3C)c2c1O,"InChI=1/C18H23NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3,6,13-14,21H,4-5,7-10H2,1-2H3",C18H23NO3,,,,,,CDGFTOARGCEWKI-IYOUNJFTSA-N,,,,,,,,,,,
100.011.551,212-705-2,850-92-0,"2-[2-(3,4-dihydro-6-methoxy-1(2H)-naphthylidene)ethyl]-2-ethylcyclopentane-1,3-dione","2-ethyl-2-[2-(6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl]cyclopentane-1,3-dione",O=C3CCC(=O)C3(CC)CC=C2CCCc1cc(ccc12)OC,O=C3CCC(=O)C3(CC)CC=C2CCCc1cc(ccc12)OC,"InChI=1/C20H24O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13H,3-6,9-10,12H2,1-2H3",C20H24O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16403,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.551,OMXFYKCGCDGYNC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.552,212-706-8,851-68-3,"2-methoxy-N,N,ß-trimethyl-10H-phenothiazine-10-propylamine","3-(2-methoxy-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine",COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,"InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3",C19H24N2OS,,,,,,VRQVVMDWGGWHTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.558,212-713-6,852-42-6,Guaiapate,1-(2-{2-[2-(2-methoxyphenoxy)ethoxy]ethoxy}ethyl)piperidine,COc1ccccc1OCCOCCOCCN2CCCCC2,COc1ccccc1OCCOCCOCCN2CCCCC2,"InChI=1/C18H29NO4/c1-20-17-7-3-4-8-18(17)23-16-15-22-14-13-21-12-11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-16H2,1H3",C18H29NO4,,,,,,PPVFOZYARYOARE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.427,212-569-4,827-37-2,Calcium urate,"calcium bis(2,6,8-trioxo-1,2,6,7,8,9-hexahydropurin-3-ide)",O=C1NC2=C(N1)C(=O)NC(=O)N2[Ca]N3C(=O)NC(=O)C4=C3NC(=O)N4,O=C1NC2=C(N1)C(=O)NC(=O)N2[Ca]N3C(=O)NC(=O)C4=C3NC(=O)N4,"InChI=1/2C5H4N4O3.Ca/c2*10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h2*(H4,6,7,8,9,10,11,12);/q;;+2/p-2/rC10H6CaN8O6/c20-5-1-3(14-7(22)12-1)18(9(24)16-5)11-19-4-2(13-8(23)15-4)6(21)17-10(19)25/h(H2,12,14,22)(H2,13,15,23)(H,16,20,24)(H,17,21,25)",C5H4N4O3.1/2Ca,,,,,,XIKIPZDTTJQYGT-UHFFFAOYSA-L,,,,,,,,,,,
100.011.431,212-574-1,827-61-2,Aceclidine,1-azabicyclo[2.2.2]oct-3-yl acetate,CC(=O)OC1CN2CCC1CC2,CC(=O)OC1CN2CCC1CC2,"InChI=1/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3",C9H15NO2,,,,,,WRJPSSPFHGNBMG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.437,212-580-4,828-01-3,(±)-3-phenyllactic acid,2-hydroxy-3-phenylpropanoic acid,OC(Cc1ccccc1)C(=O)O,OC(Cc1ccccc1)C(=O)O,"InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",C9H10O3,,,,,,VOXXWSYKYCBWHO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.438,212-582-5,828-26-2,"2,2,4,4,6,6-hexamethyl-1,3,5-trithiane","2,2,4,4,6,6-hexamethyl-1,3,5-trithiane",CC1(C)SC(C)(C)SC(C)(C)S1,CC1(C)SC(C)(C)SC(C)(C)S1,"InChI=1/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3",C9H18S3,,,,,,NBNWHQAWKFYFKI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.440,212-584-6,828-51-3,"Tricyclo(3.3.1.1'3,7)decane-1-carboxylic acid",adamantane-1-carboxylic acid,OC(=O)C12CC3CC(CC(C3)C1)C2,OC(=O)C12CC3CC(CC(C3)C1)C2,"InChI=1/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)",C11H16O2,,,,,,JIMXXGFJRDUSRO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.444,212-588-8,829-26-5,"2,3,6-trimethylnaphthalene","2,3,6-trimethylnaphthalene",Cc1ccc2cc(C)c(C)cc2c1,Cc1ccc2cc(C)c(C)cc2c1,"InChI=1/C13H14/c1-9-4-5-12-7-10(2)11(3)8-13(12)6-9/h4-8H,1-3H3",C13H14,,,,,,UNBZRJCHIWTUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.448,212-593-5,830-03-5,4-nitrophenyl acetate,4-nitrophenyl acetate,CC(=O)Oc1ccc(cc1)[N+](=O)[O-],CC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3",C8H7NO4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17205,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.448,QAUUDNIGJSLPSX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.452,212-597-7,830-50-2,"2,3,4,5,6-pentafluoro-a-methylbenzyl alcohol",1-(pentafluorophenyl)ethanol,CC(O)c1c(F)c(F)c(F)c(F)c1F,CC(O)c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3",C8H5F5O,,,,,,WYUNHWKTLDBPLE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.459,212-604-3,831-53-8,"Calcium 3-hydroxy-4-oxopyran-2,6-dicarboxylate","calcium 3-hydroxy-4-oxo-4H-pyran-2,6-dicarboxylate",[Ca+2].OC1=C(OC(=CC1=O)C(=O)[O-])C(=O)[O-],[Ca+2].OC1=C(OC(=CC1=O)C(=O)[O-])C(=O)[O-],"InChI=1/C7H4O7.Ca/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13;/h1,9H,(H,10,11)(H,12,13);/q;+2/p-2",C7H4O7.Ca,,,,,,WJAFWYSUARCPKN-UHFFFAOYSA-L,,,,,,,,,,,
100.010.229,211-251-2,636-13-5,Manganese dibenzoate,manganese(2+) dibenzoate,[Mn+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Mn+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Mn/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Mn,,,,,,QMZIDZZDMPWRHM-UHFFFAOYSA-L,,,,,,,,,,,
100.010.231,211-253-3,636-28-2,"1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene",Brc1cc(Br)c(Br)cc1Br,Brc1cc(Br)c(Br)cc1Br,InChI=1/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,C6H2Br4,,,,,,QCKHVNQHBOGZER-UHFFFAOYSA-N,,,,,,,,,,,
100.010.234,211-257-5,636-44-2,"2,5-dimethyl-3-furoic acid","2,5-dimethyl-3-furoic acid",Cc1oc(C)c(c1)C(=O)O,Cc1oc(C)c(c1)C(=O)O,"InChI=1/C7H8O3/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H,8,9)",C7H8O3,,,,,,CNTHHNPBADVTRY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.236,211-259-6,636-48-6,Ethylsuccinic acid,2-ethylsuccinic acid,CCC(CC(=O)O)C(=O)O,CCC(CC(=O)O)C(=O)O,"InChI=1/C6H10O4/c1-2-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)",C6H10O4,,,,,,RVHOBHMAPRVOLO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.238,211-261-7,636-54-4,Clopamide,"4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide",CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N,CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N,"InChI=1/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)",C14H20ClN3O3S,,,,,,LBXHRAWDUMTPSE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.240,211-263-8,636-70-4,Triethylammonium bromide,"N,N-diethylethanaminium bromide",[Br-].CC[NH+](CC)CC,[Br-].CC[NH+](CC)CC,"InChI=1/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H",C6H15N.BrH,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10214,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.240,NRTLTGGGUQIRRT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.241,211-264-3,636-72-6,Thiophene-2-methanol,2-thienylmethanol,OCc1cccs1,OCc1cccs1,"InChI=1/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",C5H6OS,,,,,,ZPHGMBGIFODUMF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.246,211-270-6,636-95-3,3-nitrophenylhydrazinium(1+) chloride,(3-nitrophenyl)hydrazine,NNc1cccc(c1)[N+](=O)[O-],NNc1cccc(c1)[N+](=O)[O-],"InChI=1/C6H7N3O2/c7-8-5-2-1-3-6(4-5)9(10)11/h1-4,8H,7H2",C6H7N3O2.ClH,,,,,,JFILLLZWNHOVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.258,211-283-7,637-32-1,Proguanil hydrochloride,N-(4-chlorophenyl)-N'-isopropylimidodicarbonimidic diamide hydrochloride,Cl.CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,Cl.CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,"InChI=1/C11H16ClN5.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;/h3-7H,1-2H3,(H5,13,14,15,16,17);1H",C11H16ClN5.ClH,,,,,,SARMGXPVOFNNNG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.259,211-284-2,637-39-8,Tris(2-hydroxyethyl)ammonium chloride,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium chloride",[Cl-].OCC[NH+](CCO)CCO,[Cl-].OCC[NH+](CCO)CCO,"InChI=1/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H",C6H15NO3.ClH,,,,,,HHLJUSLZGFYWKW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.267,211-293-1,637-58-1,Pramocaine hydrochloride,4-[3-(4-butoxyphenoxy)propyl]morpholine hydrochloride,Cl.CCCCOc1ccc(OCCCN2CCOCC2)cc1,Cl.CCCCOc1ccc(OCCCN2CCOCC2)cc1,"InChI=1/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H",C17H27NO3.ClH,,,,,,SYCBXBCPLUFJID-UHFFFAOYSA-N,,,,,,,,,,,
100.010.270,211-296-8,637-64-9,Tetrahydrofurfuryl acetate,tetrahydrofuran-2-ylmethyl acetate,CC(=O)OCC1CCCO1,CC(=O)OCC1CCCO1,"InChI=1/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3",C7H12O3,,,,,,AAQDYYFAFXGBFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.273,211-299-4,637-70-7,"N,N'-dichloro-p-benzoquinonediimide","N,N'-dichlorocyclohexa-2,5-diene-1,4-diimine",ClN=C1C=CC(=NCl)C=C1,ClN=C1C=CC(=NCl)C=C1,InChI=1/C6H4Cl2N2/c7-9-5-1-2-6(10-8)4-3-5/h1-4H,C6H4Cl2N2,,,,,,NHMMHCXTHYEVLE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.275,211-301-3,637-81-0,Ethyl azidoacetate,ethyl azidoacetate,CCOC(=O)CN=[N+]=[N-],CCOC(=O)CN=[N+]=[N-],"InChI=1/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3",C4H7N3O2,,,,,,HVJJYOAPXBPQQV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.006,212-107-1,763-11-1,"N,N'-dibutylsulphamide","N,N'-dibutylsulfamide",CCCCNS(=O)(=O)NCCCC,CCCCNS(=O)(=O)NCCCC,"InChI=1/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3",C8H20N2O2S,,,,,,FLJVRWOWKXUFRB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.009,212-110-8,763-32-6,3-methylbut-3-en-1-ol,3-methylbut-3-en-1-ol,CC(=C)CCO,CC(=C)CCO,"InChI=1/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3",C5H10O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13202,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.009,CPJRRXSHAYUTGL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.011,212-112-9,763-69-9,Ethyl 3-ethoxypropionate,ethyl 3-ethoxypropanoate,CCOCCC(=O)OCC,CCOCCC(=O)OCC,"InChI=1/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3",C7H14O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1990,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.011,BHXIWUJLHYHGSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.016,212-118-1,764-37-4,(E)-pent-3-en-1-ol,pent-3-en-1-ol,C\\C=C\\CCO,C\C=C\CCO,"InChI=1/C5H10O/c1-2-3-4-5-6/h2-3,6H,4-5H2,1H3",C5H10O,,,,,,FSUXYWPILZJGCC-NSCUHMNNSA-N,,,,,,,,,,,
100.011.018,212-120-2,764-39-6,Pent-2-enal,pent-2-enal,CCC=CC=O,CCC=CC=O,"InChI=1/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3",C5H8O,,,,,,DTCCTIQRPGSLPT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.523,212-675-0,842-79-5,"2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole","2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole",COc1ccc(cc1)c2oc(nn2)c3ccccc3,COc1ccc(cc1)c2oc(nn2)c3ccccc3,"InChI=1/C15H12N2O2/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10H,1H3",C15H12N2O2,,,,,,PGLXSBJEJSUXOB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.525,212-677-1,843-55-0,"4,4'-cyclohexylidenebisphenol","4,4'-cyclohexane-1,1-diyldiphenol",Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3,Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3,"InChI=1/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2",C18H20O2,,,,,,SDDLEVPIDBLVHC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.529,212-681-3,845-05-6,4'-methoxy-3-(trifluoromethyl)benzophenone,(4-methoxyphenyl)[3-(trifluoromethyl)phenyl]methanone,COc1ccc(cc1)C(=O)c2cccc(c2)C(F)(F)F,COc1ccc(cc1)C(=O)c2cccc(c2)C(F)(F)F,"InChI=1/C15H11F3O2/c1-20-13-7-5-10(6-8-13)14(19)11-3-2-4-12(9-11)15(16,17)18/h2-9H,1H3",C15H11F3O2,,,,,,MJDGFIOMTNMZTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.534,212-687-6,846-49-1,Lorazepam,"7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one",OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,"InChI=1/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",C15H10Cl2N2O2,,,,,,DIWRORZWFLOCLC-UHFFFAOYSA-N,Positive/Negative,AU151206;SM860002;EQ313801|EQ313802|EQ313803|EQ313804|EQ313805|EQ313806,[M+H]+;[M+H]+;[M+H]+,CIDRAMP 22.0-33.0;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,99.0425:57.0687:55.0175;275.0137:321.0193:303.0087;321.0192:303.0087:275.0138|275.0137:303.0086:321.0191|275.0137:229.0528:303.0086|275.0137:229.0527:163.0057|229.0527:275.0137:163.0057|194.0838:229.0527:163.0057,Athens_Univ;CASMI_2016;Eawag,SM860053;EQ313851|EQ313852|EQ313853|EQ313854|EQ313855|EQ313856,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,283.0281:319.0048:255.0337;283.0279:319.0045:291.0097|283.0279:102.035:255.0332|102.035:151.9909:283.0279|102.035:151.9909:179.0018|102.035:151.9909:179.0018|102.035:151.9909:179.0017,CASMI_2016;Eawag
100.011.545,212-699-1,848-53-3,Homochlorcyclizine,"1-[(4-chlorophenyl)(phenyl)methyl]-4-methyl-1,4-diazepane",CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,"InChI=1/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3",C19H23ClN2,,,,,,WEUCDJCFJHYFRL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.549,212-703-1,850-52-2,Altrenogest,"17-allyl-17-hydroxyestra-4,9,11-trien-3-one",C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC=C,C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC=C,"InChI=1/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3",C21H26O2,,,,,,VWAUPFMBXBWEQY-ANULTFPQSA-N,,,,,,,,,,,
100.011.555,212-709-4,852-36-8,"5-[1,1'-biphenyl]-4-yl-2-phenyloxazole","5-biphenyl-4-yl-2-phenyl-1,3-oxazole",o1c(cnc1c2ccccc2)c3ccc(cc3)c4ccccc4,o1c(cnc1c2ccccc2)c3ccc(cc3)c4ccccc4,InChI=1/C21H15NO/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-22-21(23-20)19-9-5-2-6-10-19/h1-15H,C21H15NO,,,,,,GCQCIPNRUROCBG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.561,212-716-2,853-35-0,"Disodium 9,10-dihydro-9,10-dioxoanthracene-1,5-disulphonate","disodium 9,10-dioxo-9,10-dihydroanthracene-1,5-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12,[Na+].[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12,"InChI=1/C14H8O8S2.2Na/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H8O8S2.2Na,,,,,,OFASSSMJNCWWTP-UHFFFAOYSA-L,,,,,,,,,,,
100.011.562,212-717-8,853-39-4,Decafluorobenzophenone,bis(pentafluorophenyl)methanone,Fc1c(F)c(F)c(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F,Fc1c(F)c(F)c(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F,InChI=1/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17,C13F10O,,,,,,WWQLXRAKBJVNCC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.564,212-719-9,853-68-9,"Disodium 9,10-dihydro-9,10-dioxoanthracene-2,6-disulphonate","disodium 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)[O-],"InChI=1/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H8O8S2.2Na,,,,,,PKOVWEHDVFYKHL-UHFFFAOYSA-L,,,,,,,,,,,
100.011.435,212-578-3,827-95-2,Sodium 3-nitrobenzoate,sodium 3-nitrobenzoate,[Na+].[O-]C(=O)c1cccc(c1)[N+](=O)[O-],[Na+].[O-]C(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C7H5NO4.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1",C7H5NO4.Na,,,,,,MUADFEZFSKAZLT-UHFFFAOYSA-M,,,,,,,,,,,
100.011.436,212-579-9,828-00-2,"2,6-dimethyl-1,3-dioxan-4-yl acetate","2,6-dimethyl-1,3-dioxan-4-yl acetate",CC1CC(OC(=O)C)OC(C)O1,CC1CC(OC(=O)C)OC(C)O1,"InChI=1/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3",C8H14O4,,,,,,PHMNXPYGVPEQSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.439,212-583-0,828-27-3,p-(trifluoromethoxy)phenol,4-(trifluoromethoxy)phenol,Oc1ccc(OC(F)(F)F)cc1,Oc1ccc(OC(F)(F)F)cc1,"InChI=1/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H",C7H5F3O2,,,,,,WDRJNKMAZMEYOF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.442,212-586-7,828-73-9,Pentafluorophenylhydrazine,(pentafluorophenyl)hydrazine,NNc1c(F)c(F)c(F)c(F)c1F,NNc1c(F)c(F)c(F)c(F)c1F,"InChI=1/C6H3F5N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2",C6H3F5N2,,,,,,BYCUWCJUPSUFBX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.445,212-589-3,829-83-4,Diphenylarsine,diphenylarsine,[AsH](c1ccccc1)c2ccccc2,[AsH](c1ccccc1)c2ccccc2,"InChI=1/C12H11As/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",C12H11As,,,,,,SKNCDRJPFBIAGA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.449,212-594-0,830-09-1,trans-4-methoxycinnamic acid,3-(4-methoxyphenyl)acrylic acid,COc1ccc(\\C=C\\C(=O)O)cc1,COc1ccc(\C=C\C(=O)O)cc1,"InChI=1/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O3,,,,,,AFDXODALSZRGIH-QPJJXVBHSA-N,Positive,SM821404,[M+H]+,HCD35,161.0597:133.0648:118.0413,CASMI_2016,,,,,
100.006.848,207-531-9,479-45-8,"N-methyl-N,2,4,6-tetranitroaniline","N-methyl-N,2,4,6-tetranitroaniline",CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3",C7H5N5O8,,,,,,AGUIVNYEYSCPNI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.862,207-547-6,480-36-4,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one,5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside,COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2,COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2,"InChI=1/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3",C28H32O14,,,,,,YFVGIJBUXMQFOF-PJOVQGMDSA-N,,,,,,,,,,,
100.006.870,207-556-5,480-66-0,"2',4',6'-trihydroxyacetophenone","1-(2,4,6-trihydroxyphenyl)ethanone",CC(=O)c1c(O)cc(O)cc1O,CC(=O)c1c(O)cc(O)cc1O,"InChI=1/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3",C8H8O4,,,,,,XLEYFDVVXLMULC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.873,207-559-1,480-96-6,"1-benzo-2-oxa-1,3-diazole oxide","2,1,3-benzoxadiazole 1-oxide",O=n1onc2ccccc12,O=n1onc2ccccc12,InChI=1/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H,C6H4N2O2,,,,,,OKEAMBAZBICIFP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.750,208-523-8,532-02-5,Sodium naphthalene-2-sulphonate,sodium naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1,[Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1",C10H8O3S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17444,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.750,YWPOLRBWRRKLMW-UHFFFAOYSA-M,,,,,,,,,,,
100.007.682,208-449-6,529-05-5,"7-ethyl-1,4-dimethylazulene","7-ethyl-1,4-dimethylazulene",CCc1ccc(C)c2ccc(C)c2c1,CCc1ccc(C)c2ccc(C)c2c1,"InChI=1/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",C14H16,,,,,,GXGJIOMUZAGVEH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.683,208-450-1,529-08-8,"2-isopropyl-4,8-dimethylazulene","2-isopropyl-4,8-dimethylazulene",CC(C)c1cc2c(C)cccc(C)c2c1,CC(C)c1cc2c(C)cccc(C)c2c1,"InChI=1/C15H18/c1-10(2)13-8-14-11(3)6-5-7-12(4)15(14)9-13/h5-10H,1-4H3",C15H18,,,,,,APVKGMMYGFJZHY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.688,208-455-9,529-27-1,o-tolylhydrazine,(2-methylphenyl)hydrazine,Cc1ccccc1NN,Cc1ccccc1NN,"InChI=1/C7H10N2/c1-6-4-2-3-5-7(6)9-8/h2-5,9H,8H2,1H3",C7H10N2,,,,,,SCZGZDLUGUYLRV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.690,208-458-5,529-32-8,Decahydro-1-naphthol,decahydronaphthalen-1-ol,OC1CCCC2CCCCC12,OC1CCCC2CCCCC12,"InChI=1/C10H18O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-11H,1-7H2",C10H18O,,,,,,NDZOISQLWLWLEW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.691,208-459-0,529-33-9,"1,2,3,4-tetrahydronaphthalen-1-ol","1,2,3,4-tetrahydronaphthalen-1-ol",OC1CCCc2ccccc12,OC1CCCc2ccccc12,"InChI=1/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2",C10H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17746,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.691,JAAJQSRLGAYGKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.692,208-460-6,529-34-0,"1,2,3,4-tetrahydronaphthalen-1-one","3,4-dihydronaphthalen-1(2H)-one",O=C1CCCc2ccccc12,O=C1CCCc2ccccc12,"InChI=1/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2",C10H10O,,,,,,XHLHPRDBBAGVEG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.696,208-464-8,529-55-5,"(S)-7-(ß-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one","5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2",C21H22O10,,,,,,DLIKSSGEMUFQOK-SFTVRKLSSA-N,,,,,,,,,,,
100.007.700,208-469-5,529-69-1,"2-aminopteridine-4,7-diol","2-aminopteridine-4,7-diol",Nc1nc(O)c2ncc(O)nc2n1,Nc1nc(O)c2ncc(O)nc2n1,"InChI=1/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)",C6H5N5O2,,,,,,GLKCOBIIZKYKFN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.702,208-471-6,529-96-4,Pyridoxamine phosphate,[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate,Cc1ncc(COP(=O)(O)O)c(CN)c1O,Cc1ncc(COP(=O)(O)O)c(CN)c1O,"InChI=1/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)",C8H13N2O5P,,,,,,ZMJGSOSNSPKHNH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.706,208-475-8,530-31-4,Ammonium mandelate,ammonium hydroxy(phenyl)acetate,[NH4+].OC(C(=O)[O-])c1ccccc1,[NH4+].OC(C(=O)[O-])c1ccccc1,"InChI=1/C8H8O3.H3N/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);1H3",C8H8O3.H3N,,,,,,BDEXTKUJIZCFST-UHFFFAOYSA-N,,,,,,,,,,,
100.007.711,208-481-0,530-47-2,"N,N-diphenylhydrazinium(1+) chloride","1,1-diphenylhydrazine hydrochloride",Cl.NN(c1ccccc1)c2ccccc2,Cl.NN(c1ccccc1)c2ccccc2,"InChI=1/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H",C12H12N2.ClH,,,,,,MIVUDWFNUOXEJM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.713,208-483-1,530-50-7,"N,N-diphenylhydrazine","1,1-diphenylhydrazine",NN(c1ccccc1)c2ccccc2,NN(c1ccccc1)c2ccccc2,"InChI=1/C12H12N2/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2",C12H12N2,,,,,,YHYKLKNNBYLTQY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.461,212-606-4,831-59-4,"Disodium benzene-1,3-disulphonate","disodium benzene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)[O-],"InChI=1/C6H6O6S2.2Na/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2",C6H6O6S2.2Na,,,,,,XWPWZOJBTOJEGW-UHFFFAOYSA-L,,,,,,,,,,,
100.011.464,212-610-6,831-75-4,"3-(1,1,2,2-tetrafluoroethoxy)aniline","3-(1,1,2,2-tetrafluoroethoxy)aniline",Nc1cccc(OC(F)(F)C(F)F)c1,Nc1cccc(OC(F)(F)C(F)F)c1,"InChI=1/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7H,13H2",C8H7F4NO,,,,,,MWDPEBMCVXNSPL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.263,213-489-2,958-80-5,"4,4'-dimethoxythiobenzophenone","dimethyl 4,4'-carbonyldibenzenesulfenate",COSc1ccc(cc1)C(=O)c2ccc(SOC)cc2,COSc1ccc(cc1)C(=O)c2ccc(SOC)cc2,"InChI=1/C15H14O3S2/c1-17-19-13-7-3-11(4-8-13)15(16)12-5-9-14(10-6-12)20-18-2/h3-10H,1-2H3",C15H14O2S,,,,,,GWKFHMQAFFQPHY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.265,213-491-3,959-02-4,"5,12-dihydronaphthacene","5,12-dihydrotetracene",C1c2ccccc2Cc3cc4ccccc4cc13,C1c2ccccc2Cc3cc4ccccc4cc13,"InChI=1/C18H14/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-10H,11-12H2",C18H14,,,,,,WSXODQAKLVVOCS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.267,213-493-4,959-14-8,Oxolamine,"N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine",CCN(CC)CCc1onc(n1)c2ccccc2,CCN(CC)CCc1onc(n1)c2ccccc2,"InChI=1/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3",C14H19N3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11857,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.267,IDCHQQSVJAAUQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.272,213-499-7,959-33-1,4-methoxychalcone,3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one,COc1ccc(\\C=C\\C(=O)c2ccccc2)cc1,COc1ccc(\C=C\C(=O)c2ccccc2)cc1,"InChI=1/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3",C16H14O2,,,,,,XUFXKBJMCRJATM-FMIVXFBMSA-N,,,,,,,,,,,
100.012.278,213-505-8,961-07-9,2'-deoxyguanosine,2'-deoxyguanosine,NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N1,NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",C10H13N5O4,,,,,,YKBGVTZYEHREMT-KVQBGUIXSA-N,,,,,,,,,,,
100.012.279,213-506-3,961-11-5,"2-chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate","2-chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate",COP(=O)(OC)O\\C(=C\\Cl)\\c1cc(Cl)c(Cl)cc1Cl,COP(=O)(OC)O\C(=C\Cl)\c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3",C10H9Cl4O4P,,,,,,UBCKGWBNUIFUST-BJMVGYQFSA-N,,,,,,,,,,,
100.012.280,213-507-9,961-38-6,"2,4,6-tri-tert-butylaniline","2,4,6-tri-tert-butylaniline",CC(C)(C)c1cc(c(N)c(c1)C(C)(C)C)C(C)(C)C,CC(C)(C)c1cc(c(N)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3",C18H31N,,,,,,REJGDSCBQPJPQT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.289,213-517-3,963-75-7,5a-androst-2-en-17-one,androst-2-en-17-one,C[C@]12CC=CC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O,C[C@]12CC=CC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O,"InChI=1/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3",C19H28O,,,,,,ISJVDMWNISUFRJ-HKQXQEGQSA-N,,,,,,,,,,,
100.012.290,213-518-9,964-26-1,2'-deoxyuridine 5'-monophosphate,2'-deoxy-5'-O-phosphonatouridine,O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])N2C=CC(=O)NC2=O,O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])N2C=CC(=O)NC2=O,"InChI=1/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/p-2",C9H13N2O8P,,,,,,JSRLJPSBLDHEIO-SHYZEUOFSA-L,,,,,,,,,,,
100.012.292,213-521-5,965-32-2,Benzyl(decyl)dimethylammonium chloride,"N-benzyl-N,N-dimethyldecan-1-aminium chloride",[Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1",C19H34N.Cl,,,,,,TTZLKXKJIMOHHG-UHFFFAOYSA-M,,,,,,,,,,,
100.012.298,213-527-8,968-21-8,N-L-leucyl-L-tyrosine,L-leucyl-L-tyrosine,CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)",C15H22N2O4,,,,,,LHSGPCFBGJHPCY-STQMWFEESA-N,,,,,,,,,,,
100.012.302,213-532-5,968-85-4,1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile,1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile,N#CC1(CCN(Cc2ccccc2)CC1)NC3CCCCC3,N#CC1(CCN(Cc2ccccc2)CC1)NC3CCCCC3,"InChI=1/C19H27N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-15H2",C19H27N3,,,,,,MNEJRCLOVDRIAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.306,213-536-7,970-76-3,"2,4-dinitro-N-(4-nitrophenyl)aniline","2,4-dinitro-N-(4-nitrophenyl)aniline",[O-][N+](=O)c1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,"InChI=1/C12H8N4O6/c17-14(18)9-3-1-8(2-4-9)13-11-6-5-10(15(19)20)7-12(11)16(21)22/h1-7,13H",C12H8N4O6,,,,,,MQZAHSOZWFOSGD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.309,213-539-3,971-74-4,3-(2-aminoethyl)indol-5-ol--2-imino-1-methylimidazolidin-4-one sulphate (1:1),-,CN1CC(=O)NC1=N.NCCc2c[nH]c3ccc(O)cc23.OS(=O)(=O)O,CN1CC(=O)NC1=N.NCCc2c[nH]c3ccc(O)cc23.OS(=O)(=O)O,"InChI=1/C10H12N2O.C4H7N3O.H2O4S/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h1-2,5-6,12-13H,3-4,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)",C10H12N2O.C4H7N3O.H2O4S,,,,,,WFZKRNIMSVDNBU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.028,212-131-2,764-85-2,Nonanoyl chloride,nonanoyl chloride,CCCCCCCCC(=O)Cl,CCCCCCCCC(=O)Cl,"InChI=1/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3",C9H17ClO,,,,,,NTQYXUJLILNTFH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.029,212-132-8,764-93-2,Dec-1-yne,dec-1-yne,CCCCCCCCC#C,CCCCCCCCC#C,"InChI=1/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3",C10H18,,,,,,ILLHQJIJCRNRCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.031,212-134-9,765-03-7,Dodec-1-yne,dodec-1-yne,CCCCCCCCCCC#C,CCCCCCCCCCC#C,"InChI=1/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3",C12H22,,,,,,ZVDBUOGYYYNMQI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.034,212-138-0,765-09-3,1-bromotridecane,1-bromotridecane,CCCCCCCCCCCCCBr,CCCCCCCCCCCCCBr,"InChI=1/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3",C13H27Br,,,,,,BFDNZQUBFCYTIC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.037,212-141-7,765-14-0,1-(vinyloxy)dodecane,1-(vinyloxy)dodecane,CCCCCCCCCCCCOC=C,CCCCCCCCCCCCOC=C,"InChI=1/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-4-2/h4H,2-3,5-14H2,1H3",C14H28O,,,,,,LAYAKLSFVAPMEL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.038,212-142-2,765-30-0,Cyclopropylamine,cyclopropanamine,NC1CC1,NC1CC1,"InChI=1/C3H7N/c4-3-1-2-3/h3H,1-2,4H2",C3H7N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5343,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.038,HTJDQJBWANPRPF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.051,212-156-9,766-00-7,Cyclopentaneethanol,2-cyclopentylethanol,OCCC1CCCC1,OCCC1CCCC1,"InChI=1/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2",C7H14O,,,,,,JEXQWCBPEWHFKC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.840,214-123-4,1088-11-5,Nordazepam,"7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,"InChI=1/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",C15H11ClN2O,,,,,,AKPLHCDWDRPJGD-UHFFFAOYSA-N,Positive/Negative,AU161102|AU161103|AU161104|AU161105;EQ360801|EQ360802|EQ360803|EQ360804|EQ360805|EQ360806|EQ360807|EQ360808|EQ360809,[M+H]+;[M+H]+,CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,271.0628:273.0599:272.0659|271.0628:140.0252:208.0986|140.0252:208.0985:165.0203|140.025:208.0983:165.0203;271.0629|271.0628:243.0682:140.0259|271.0629:140.026:243.0682|140.026:165.0213:208.0994|140.026:165.0213:208.0993|140.0259:91.0541:165.0212|104.0493:91.0541:190.0649|104.0494:65.0385:75.0228|75.0228:65.0385:104.0494,Athens_Univ;Eawag,EQ360851|EQ360852|EQ360853|EQ360854|EQ360855|EQ360856|EQ360857|EQ360858,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150,269.0485:241.0299:242.0377|241.0298:269.0486:242.0377|241.0298:242.0376:269.0485|241.0299:242.0377:205.0532|241.03:205.0531:240.0221|241.0299:205.0532:240.022|204.0455:101.0395:205.0527|101.0396,Eawag
100.012.841,214-125-5,1088-56-8,"7,8,10-trimethylbenzo[g]pteridine-2,4(3H,10H)-dione","7,8,10-trimethylbenzo[g]pteridine-2,4(3H,10H)-dione",CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13,CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13,"InChI=1/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)",C13H12N4O2,,,,,,KPDQZGKJTJRBGU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.843,214-127-6,1090-13-7,"5,12-naphthacenequinone","tetracene-5,12-dione",O=C1c2ccccc2C(=O)c3cc4ccccc4cc13,O=C1c2ccccc2C(=O)c3cc4ccccc4cc13,InChI=1/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-10-12-6-2-1-5-11(12)9-15(16)17/h1-10H,C18H10O2,,,,,,LZPBKINTWROMEA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.844,214-128-1,1090-78-4,"N,N-dimethylphenothiazine-2-sulphonamide","N,N-dimethyl-10H-phenothiazine-2-sulfonamide",CN(C)S(=O)(=O)c1ccc2Sc3ccccc3Nc2c1,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3Nc2c1,"InChI=1/C14H14N2O2S2/c1-16(2)20(17,18)10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)19-14/h3-9,15H,1-2H3",C14H14N2O2S2,,,,,,KMMXCCWCGOUAGH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.846,214-130-2,1091-93-6,"3-methoxyestra-2,5(10)-dien-17ß-ol","3-methoxyestra-2,5(10)-dien-17-ol",COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@]4(C)[C@@H](O)CC[C@@H]34)C1,COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@]4(C)[C@@H](O)CC[C@@H]34)C1,"InChI=1/C19H28O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,15-18,20H,3,5-11H2,1-2H3",C19H28O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12766,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.846,XFFZLECPCHQJIR-GFEQUFNTSA-N,,,,,,,,,,,
100.012.847,214-131-8,1092-46-2,Ketocaine,1-{2-[2-(diisopropylamino)ethoxy]phenyl}butan-1-one,CCCC(=O)c1ccccc1OCCN(C(C)C)C(C)C,CCCC(=O)c1ccccc1OCCN(C(C)C)C(C)C,"InChI=1/C18H29NO2/c1-6-9-17(20)16-10-7-8-11-18(16)21-13-12-19(14(2)3)15(4)5/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3",C18H29NO2,,,,,,UXAWFWFJXIANHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.852,214-137-0,1095-03-0,Triphenyl borate,triphenyl borate,O(B(Oc1ccccc1)Oc2ccccc2)c3ccccc3,O(B(Oc1ccccc1)Oc2ccccc2)c3ccccc3,InChI=1/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,C18H15BO3,,,,,,MDCWDBMBZLORER-UHFFFAOYSA-N,,,,,,,,,,,
100.012.863,214-149-6,1098-60-8,Triflupromazine hydrochloride,"N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-amine hydrochloride",Cl.CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,Cl.CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,"InChI=1/C18H19F3N2S.ClH/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H",C18H19F3N2S.ClH,,,,,,FTNWXGFYRHWUKG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.867,214-153-8,1100-23-8,N2-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-asparagine,N~2~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-asparagine,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O,"InChI=1/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)",C16H19N3O5S,,,,,,LRBOEWHGZIFPKV-LBPRGKRZSA-N,,,,,,,,,,,
100.012.869,214-155-9,1101-41-3,Tetraphenyldiphosphine,tetraphenyldiphosphane,c1ccc(cc1)P(P(c2ccccc2)c3ccccc3)c4ccccc4,c1ccc(cc1)P(P(c2ccccc2)c3ccccc3)c4ccccc4,InChI=1/C24H20P2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,C24H20P2,,,,,,DAPZRBJQPPDZGH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.450,212-595-6,830-13-7,Cyclododecanone,cyclododecanone,O=C1CCCCCCCCCCC1,O=C1CCCCCCCCCCC1,InChI=1/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2,C12H22O,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1731,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.450,SXVPOSFURRDKBO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.451,212-596-1,830-43-3,"a,a,a-trifluoro-p-toluenesulphonamide",4-(trifluoromethyl)benzenesulfonamide,NS(=O)(=O)c1ccc(cc1)C(F)(F)F,NS(=O)(=O)c1ccc(cc1)C(F)(F)F,"InChI=1/C7H6F3NO2S/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13)",C7H6F3NO2S,,,,,,TVHXQQJDMHKGGK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.453,212-598-2,830-79-5,"2,4,6-trimethoxybenzaldehyde","2,4,6-trimethoxybenzaldehyde",COc1cc(OC)c(C=O)c(OC)c1,COc1cc(OC)c(C=O)c(OC)c1,"InChI=1/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3",C10H12O4,,,,,,CRBZVDLXAIFERF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.456,212-601-7,831-00-5,"2',4'-dimethoxypropiophenone","1-(2,4-dimethoxyphenyl)propan-1-one",CCC(=O)c1ccc(OC)cc1OC,CCC(=O)c1ccc(OC)cc1OC,"InChI=1/C11H14O3/c1-4-10(12)9-6-5-8(13-2)7-11(9)14-3/h5-7H,4H2,1-3H3",C11H14O3,,,,,,MIAQBCIDZSELDU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.458,212-603-8,831-52-7,"Sodium 2-amino-4,6-dinitrophenoxide","sodium 2-amino-4,6-dinitrophenolate",Nc1cc(cc(c1O[Na])N(=O)=O)N(=O)=O,Nc1cc(cc(c1O[Na])N(=O)=O)N(=O)=O,"InChI=1/C6H5N3O5.Na/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;/q;+1/p-1",C6H5N3O5.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9995,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.458,UENNEPPWFZYINW-UHFFFAOYSA-M,,,,,,,,,,,
100.011.462,212-608-5,831-61-8,"Ethyl 3,4,5-trihydroxybenzoate","ethyl 3,4,5-trihydroxybenzoate",CCOC(=O)c1cc(O)c(O)c(O)c1,CCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3",C9H10O5,,,,,,VFPFQHQNJCMNBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.467,212-613-2,831-97-0,4-isopropyl-a-methylcinnamaldehyde,3-(4-isopropylphenyl)-2-methylacrylaldehyde,CC(C)c1ccc(\\C=C(/C)\\C=O)cc1,CC(C)c1ccc(\C=C(/C)\C=O)cc1,"InChI=1/C13H16O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-10H,1-3H3",C13H16O,,,,,,YCAMGBSPHGCQDC-DHZHZOJOSA-N,,,,,,,,,,,
100.011.468,212-614-8,832-01-9,Methyl p-methoxycinnamate,methyl 3-(4-methoxyphenyl)acrylate,COC(=O)\\C=C\\c1ccc(OC)cc1,COC(=O)\C=C\c1ccc(OC)cc1,"InChI=1/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",C11H12O3,,,,,,VEZIKIAGFYZTCI-VMPITWQZSA-N,,,,,,,,,,,
100.011.470,212-616-9,832-39-3,Dicyclohexylphosphinic acid,dicyclohexylphosphinic acid,OP(=O)(C1CCCCC1)C2CCCCC2,OP(=O)(C1CCCCC1)C2CCCCC2,"InChI=1/C12H23O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,14)",C12H23O2P,,,,,,NPEWVJINTXPNRF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.474,212-621-6,832-64-4,4-methylphenanthrene,4-methylphenanthrene,Cc1cccc2ccc3ccccc3c12,Cc1cccc2ccc3ccccc3c12,"InChI=1/C15H12/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13/h2-10H,1H3",C15H12,,,,,,LOCGAKKLRVLQAM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.476,212-623-7,832-71-3,3-methylphenanthrene,3-methylphenanthrene,Cc1ccc2ccc3ccccc3c2c1,Cc1ccc2ccc3ccccc3c2c1,"InChI=1/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3",C15H12,,,,,,GKYWZUBZZBHZKU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.266,213-492-9,959-10-4,Xenbucin,2-biphenyl-4-ylbutanoic acid,CCC(C(=O)O)c1ccc(cc1)c2ccccc2,CCC(C(=O)O)c1ccc(cc1)c2ccccc2,"InChI=1/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18)",C16H16O2,,,,,,IYEPZNKOJZOGJG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.269,213-496-0,959-24-0,4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilide hydrochloride,N-{4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl}methanesulfonamide hydrochloride,Cl.CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1,Cl.CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1,"InChI=1/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H",C12H20N2O3S.ClH,,,,,,VIDRYROWYFWGSY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.271,213-498-1,959-28-4,"(E)-1,4-diphenyl-2-butene-1,4-dione","1,4-diphenylbut-2-ene-1,4-dione",O=C(\\C=C\\C(=O)c1ccccc1)c2ccccc2,O=C(\C=C\C(=O)c1ccccc1)c2ccccc2,InChI=1/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H,C16H12O2,,,,,,WYCXGQSQHAXLPK-VAWYXSNFSA-N,,,,,,,,,,,
100.012.277,213-504-2,960-71-4,Triphenylborane,triphenylborane,c1ccc(cc1)B(c2ccccc2)c3ccccc3,c1ccc(cc1)B(c2ccccc2)c3ccccc3,InChI=1/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,C18H15B,,,,,,MXSVLWZRHLXFKH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.281,213-508-4,961-68-2,"2,4-dinitro-N-phenylaniline","2,4-dinitro-N-phenylaniline",[O-][N+](=O)c1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-],"InChI=1/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13H",C12H9N3O4,,,,,,RHTVQEPJVKUMPI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.284,213-512-6,963-07-5,"1,1-bis(dimethylaminomethyl)propyl benzoate",2-amino-1-(1-amino-1-methylethyl)-1-ethyl-2-methylpropyl benzoate,CCC(OC(=O)c1ccccc1)(C(C)(C)N)C(C)(C)N,CCC(OC(=O)c1ccccc1)(C(C)(C)N)C(C)(C)N,"InChI=1/C16H26N2O2/c1-6-16(14(2,3)17,15(4,5)18)20-13(19)12-10-8-7-9-11-12/h7-11H,6,17-18H2,1-5H3",C16H26N2O2,,,,,,AFEZLJBNMNNPJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.717,208-487-3,530-59-6,"4-hydroxy-3,5-dimethoxycinnamic acid","3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid",COc1cc(\\C=C\\C(=O)O)cc(OC)c1O,COc1cc(\C=C\C(=O)O)cc(OC)c1O,"InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)",C11H12O5,,,,,,PCMORTLOPMLEFB-ONEGZZNKSA-N,,,,,,,,,,,
100.007.719,208-489-4,530-64-3,Quinolinium chloride,quinolinium chloride,[Cl-].c1ccc2[nH+]cccc2c1,[Cl-].c1ccc2[nH+]cccc2c1,InChI=1/C9H7N.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-7H;1H,C9H7N.ClH,,,,,,PSXRWZBTVAZNSF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.720,208-491-5,530-65-4,"Thiocyanic acid, compound with quinoline (1:1)",quinoline thiocyanate,SC#N.c1ccc2ncccc2c1,SC#N.c1ccc2ncccc2c1,InChI=1/C9H7N.CHNS/c1-2-6-9-8(4-1)5-3-7-10-9;2-1-3/h1-7H;3H,C9H7N.CHNS,,,,,,FDLARBRFVPIGIR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.052,207-756-2,492-61-5,ß-D-glucose,beta-D-glucopyranose,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",C6H12O6,,,,,,WQZGKKKJIJFFOK-VFUOTHLCSA-N,,,,,,,,,,,
100.007.057,207-762-5,492-80-8,"4,4'-carbonimidoylbis[N,N-dimethylaniline]","4,4'-carbonimidoylbis(N,N-dimethylaniline)",CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,"InChI=1/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3",C17H21N3,,,,,,JPIYZTWMUGTEHX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.058,207-763-0,492-85-3,Nicopholine,4-(pyridin-3-ylcarbonyl)morpholine,O=C(N1CCOCC1)c2cccnc2,O=C(N1CCOCC1)c2cccnc2,"InChI=1/C10H12N2O2/c13-10(9-2-1-3-11-8-9)12-4-6-14-7-5-12/h1-3,8H,4-7H2",C10H12N2O2,,,,,,QLPQPTXSAXQCMR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.059,207-764-6,492-86-4,4-chloromandelic acid,(4-chlorophenyl)(hydroxy)acetic acid,OC(C(=O)O)c1ccc(Cl)cc1,OC(C(=O)O)c1ccc(Cl)cc1,"InChI=1/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)",C8H7ClO3,,,,,,BWSFWXSSALIZAU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.060,207-765-1,492-88-6,3-ethoxysalicylaldehyde,3-ethoxy-2-hydroxybenzaldehyde,CCOc1cccc(C=O)c1O,CCOc1cccc(C=O)c1O,"InChI=1/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H3",C9H10O3,,,,,,OFQBYHLLIJGMNP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.063,207-768-8,492-98-8,"2,2'-bi-1H-imidazole","2,2'-biimidazole",C1=NC(=C2N=CC=N2)N=C1,C1=NC(=C2N=CC=N2)N=C1,InChI=1/C6H4N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,C6H6N4,,,,,,HVEHTNLSYGZELD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.065,207-770-9,493-01-6,cis-bicyclo[4.4.0]decane,decahydronaphthalene,C1CC[C@@H]2CCCC[C@@H]2C1,C1CC[C@@H]2CCCC[C@@H]2C1,"InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2",C10H18,,,,,,NNBZCPXTIHJBJL-AOOOYVTPSA-N,,,,,,,,,,,
100.007.070,207-776-1,493-52-7,2-(4-dimethylaminophenylazo)benzoic acid,2-{[4-(dimethylamino)phenyl]diazenyl}benzoic acid,CN(C)c2ccc(N=Nc1ccccc1C(O)=O)cc2,CN(C)c2ccc(N=Nc1ccccc1C(O)=O)cc2,"InChI=1/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)",C15H15N3O2,,,,,,CEQFOVLGLXCDCX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.073,207-779-8,493-77-6,"2,4,6-triphenyl-1,3,5-triazine","2,4,6-triphenyl-1,3,5-triazine",c1ccc(cc1)c2nc(nc(n2)c3ccccc3)c4ccccc4,c1ccc(cc1)c2nc(nc(n2)c3ccccc3)c4ccccc4,InChI=1/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H,C21H15N3,,,,,,HBQUOLGAXBYZGR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.079,207-786-6,494-12-2,"3,4-dihydro-2-phenyl-2H-1-benzopyran",2-phenylchromane,C1Cc2ccccc2OC1c3ccccc3,C1Cc2ccccc2OC1c3ccccc3,"InChI=1/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2",C15H14O,,,,,,QOLIPNRNLBQTAU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.085,207-792-9,494-55-3,Hydrohydrastinine,"6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline",CN1CCc2cc3OCOc3cc2C1,CN1CCc2cc3OCOc3cc2C1,"InChI=1/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3",C11H13NO2,,,,,,XNZFFRJWTVYMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.090,207-798-1,495-20-5,Conhydrine,1-piperidin-2-ylpropan-1-ol,CC[C@@H](O)[C@@H]1CCCCN1,CC[C@@H](O)[C@@H]1CCCCN1,"InChI=1/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3",C8H17NO,,,,,,VCCAAURNBULZRR-JGVFFNPUSA-N,,,,,,,,,,,
100.007.092,207-800-0,495-41-0,1-phenyl-2-buten-1-one,1-phenylbut-2-en-1-one,O=C(C=CC)c1ccccc1,O=C(C=CC)c1ccccc1,"InChI=1/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3",C10H10O,,,,,,FUJZJBCWPIOHHN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.594,209-452-5,580-13-2,2-bromonaphthalene,2-bromonaphthalene,Brc1ccc2ccccc2c1,Brc1ccc2ccccc2c1,InChI=1/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,C10H7Br,,,,,,APSMUYYLXZULMS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.598,209-456-7,580-18-7,Quinolin-3-ol,quinolin-3-ol,Oc1cnc2ccccc2c1,Oc1cnc2ccccc2c1,"InChI=1/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H",C9H7NO,,,,,,IQQDNMHUOLMLNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.599,209-457-2,580-20-1,Quinolin-7-ol,quinolin-7-ol,Oc1ccc2cccnc2c1,Oc1ccc2cccnc2c1,"InChI=1/C9H7NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h1-6,11H",C9H7NO,,,,,,XCRPPAPDRUBKRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.310,213-540-9,972-02-1,Difenidol,"1,1-diphenyl-4-piperidin-1-ylbutan-1-ol",OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3,OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2",C21H27NO,,,,,,OGAKLTJNUQRZJU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.311,213-541-4,972-17-8,1-benzyl-4-(o-toluidino)piperidine-4-carbonitrile,1-benzyl-4-[(2-methylphenyl)amino]piperidine-4-carbonitrile,Cc1ccccc1NC2(CCN(Cc3ccccc3)CC2)C#N,Cc1ccccc1NC2(CCN(Cc3ccccc3)CC2)C#N,"InChI=1/C20H23N3/c1-17-7-5-6-10-19(17)22-20(16-21)11-13-23(14-12-20)15-18-8-3-2-4-9-18/h2-10,22H,11-15H2,1H3",C20H23N3,,,,,,PZPLFWQZPIAMRU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.312,213-543-5,972-18-9,1-benzyl-4-(m-toluidino)piperidine-4-carbonitrile,1-benzyl-4-[(3-methylphenyl)amino]piperidine-4-carbonitrile,Cc1cccc(NC2(CCN(Cc3ccccc3)CC2)C#N)c1,Cc1cccc(NC2(CCN(Cc3ccccc3)CC2)C#N)c1,"InChI=1/C20H23N3/c1-17-6-5-9-19(14-17)22-20(16-21)10-12-23(13-11-20)15-18-7-3-2-4-8-18/h2-9,14,22H,10-13,15H2,1H3",C20H23N3,,,,,,VRQNYTJDMMMAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.847,211-930-3,713-68-8,m-phenoxyphenol,3-phenoxyphenol,Oc1cccc(Oc2ccccc2)c1,Oc1cccc(Oc2ccccc2)c1,"InChI=1/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H",C12H10O2,,,,,,HBUCPZGYBSEEHF-UHFFFAOYSA-N,Positive,SM814901,[M+H]+,HCD35,187.0752:144.0568:157.0647,CASMI_2016,,,,,
100.010.848,211-931-9,713-85-9,3'-fluoro-4'-methoxycinnamic acid,3-(3-fluoro-4-methoxyphenyl)acrylic acid,COc1ccc(C=CC(=O)O)cc1F,COc1ccc(C=CC(=O)O)cc1F,"InChI=1/C10H9FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)",C10H9FO3,,,,,,VKZYEBQHWQTZKA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.852,211-936-6,716-39-2,"Naphtho[2,3-c]furan-1,3-dione","naphtho[2,3-c]furan-1,3-dione",O=C1OC(=O)c2cc3ccccc3cc12,O=C1OC(=O)c2cc3ccccc3cc12,InChI=1/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H,C12H6O3,,,,,,IZJDCINIYIMFGX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.858,211-942-9,717-77-1,"2,4,6-tris(isopropyl)-1,3,2-dioxaphosphorinane","2,4,6-triisopropyl-1,3,2-dioxaphosphinane",CC(C)C1CC(OP(O1)C(C)C)C(C)C,CC(C)C1CC(OP(O1)C(C)C)C(C)C,"InChI=1/C12H25O2P/c1-8(2)11-7-12(9(3)4)14-15(13-11)10(5)6/h8-12H,7H2,1-6H3",C12H25O2P,,,,,,YLEBHTZHRYJPKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.860,211-945-5,719-03-9,"2-(1,1,3,3-tetramethylbutyl)hydroquinone","2-(1,1,3,3-tetramethylbutyl)benzene-1,4-diol",CC(C)(C)CC(C)(C)c1cc(O)ccc1O,CC(C)(C)CC(C)(C)c1cc(O)ccc1O,"InChI=1/C14H22O2/c1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16/h6-8,15-16H,9H2,1-5H3",C14H22O2,,,,,,RDMIJQCFPQDYQN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.865,211-950-2,719-64-2,"5-chloro-3-phenyl-2,1-benzisoxazole","5-chloro-3-phenyl-2,1-benzisoxazole",Clc1ccc2noc(c3ccccc3)c2c1,Clc1ccc2noc(c3ccccc3)c2c1,InChI=1/C13H8ClNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H,C13H8ClNO,,,,,,MUHJZJKVEQASGY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.866,211-951-8,719-80-2,Ethyl diphenylphosphinite,ethyl diphenylphosphinite,CCOP(c1ccccc1)c2ccccc2,CCOP(c1ccccc1)c2ccccc2,"InChI=1/C14H15OP/c1-2-15-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3",C14H15OP,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7946,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.866,JCRCPEDXAHDCAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.874,211-960-7,722-25-8,4-(p-tolylazo)aniline,4-[(4-methylphenyl)diazenyl]aniline,Cc2ccc(N=Nc1ccc(N)cc1)cc2,Cc2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C13H13N3/c1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3",C13H13N3,,,,,,PBKCJNOFHGLNEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.879,211-965-4,724-34-5,6-[(phenylmethyl)thio]-1H-purine,6-(benzylsulfanyl)-1H-purine,C(Sc1[nH]cnc2ncnc12)c3ccccc3,C(Sc1[nH]cnc2ncnc12)c3ccccc3,"InChI=1/C12H10N4S/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)",C12H10N4S,,,,,,ULIQGBPQLPCTAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.886,211-973-8,728-81-4,3-(trifluoromethyl)benzophenone,phenyl[3-(trifluoromethyl)phenyl]methanone,FC(F)(F)c1cccc(c1)C(=O)c2ccccc2,FC(F)(F)c1cccc(c1)C(=O)c2ccccc2,"InChI=1/C14H9F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H",C14H9F3O,,,,,,IOXDAYKKVHAKSX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.887,211-974-3,728-86-9,4-(trifluoromethyl)benzophenone,phenyl[4-(trifluoromethyl)phenyl]methanone,FC(F)(F)c1ccc(cc1)C(=O)c2ccccc2,FC(F)(F)c1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H",C14H9F3O,,,,,,OHTYZZYAMUVKQS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.888,211-975-9,728-87-0,"p,p'-dimethoxybenzhydryl alcohol",bis(4-methoxyphenyl)methanol,COc1ccc(cc1)C(O)c2ccc(OC)cc2,COc1ccc(cc1)C(O)c2ccc(OC)cc2,"InChI=1/C15H16O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15-16H,1-2H3",C15H16O3,,,,,,ZODAOVNETBTTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.568,212-724-6,858-46-8,"2,4,6-tris(pentafluoroethyl)-1,3,5-triazine","2,4,6-tris(pentafluoroethyl)-1,3,5-triazine",FC(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,"InChI=1/C9F15N3/c10-4(11,7(16,17)18)1-25-2(5(12,13)8(19,20)21)27-3(26-1)6(14,15)9(22,23)24",C9F15N3,,,,,,MQBPAXAOMVELQG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.874,214-161-1,1103-39-5,Calcium bis[2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate],calcium bis{2-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate},[Ca+2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,[Ca+2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C20H14N2O4S.Ca/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2",C20H14N2O4S.1/2Ca,,,,,,UETSCOQSVNUXDH-UHFFFAOYSA-L,,,,,,,,,,,
100.011.875,213-062-0,921-01-7,D-cysteine,D-cysteine,N[C@H](CS)C(=O)O,N[C@H](CS)C(=O)O,"InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)",C3H7NO2S,,,,,,XUJNEKJLAYXESH-UWTATZPHSA-N,,,,,,,,,,,
100.011.876,213-063-6,921-03-9,"1,1,3-trichloroacetone","1,1,3-trichloroacetone",ClCC(=O)C(Cl)Cl,ClCC(=O)C(Cl)Cl,"InChI=1/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2",C3H3Cl3O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1601,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.876,ZWILTCXCTVMANU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.877,213-064-1,921-09-5,"1,1,2,3-tetrachlorobuta-1,3-diene","1,1,2,3-tetrachlorobuta-1,3-diene",ClC(=C(Cl)C(=C)Cl)Cl,ClC(=C(Cl)C(=C)Cl)Cl,InChI=1/C4H2Cl4/c1-2(5)3(6)4(7)8/h1H2,C4H2Cl4,,,,,,RCBKHVTUYAGMLB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.880,213-067-8,921-53-9,Dipotassium tartrate,dipotassium tartarate,[K+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],[K+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C4H6O6.2K,,,,,,AVTYONGGKAJVTE-UHFFFAOYSA-L,,,,,,,,,,,
100.011.883,213-070-4,921-74-4,Ethyl L-isoleucinate,ethyl L-isoleucinate,CCOC(=O)[C@@H](N)C(C)CC,CCOC(=O)[C@@H](N)C(C)CC,"InChI=1/C8H17NO2/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3",C8H17NO2,,,,,,ICPWNTVICOHCML-MLWJPKLSSA-N,,,,,,,,,,,
100.011.884,213-072-5,921-88-0,"2,2-dichloro-N,N-diethylacetamide","2,2-dichloro-N,N-diethylacetamide",CCN(CC)C(=O)C(Cl)Cl,CCN(CC)C(=O)C(Cl)Cl,"InChI=1/C6H11Cl2NO/c1-3-9(4-2)6(10)5(7)8/h5H,3-4H2,1-2H3",C6H11Cl2NO,,,,,,ZZWJQCJQAXZVOM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.409,210-348-7,613-54-7,Bromomethyl 2-naphthyl ketone,2-bromo-1-(2-naphthyl)ethanone,BrCC(=O)c1ccc2ccccc2c1,BrCC(=O)c1ccc2ccccc2c1,"InChI=1/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2",C12H9BrO,,,,,,YHXHHGDUANVQHE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.410,210-349-2,613-69-4,2-ethoxybenzaldehyde,2-ethoxybenzaldehyde,CCOc1ccccc1C=O,CCOc1ccccc1C=O,"InChI=1/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3",C9H10O2,,,,,,DUVJMSPTZMCSTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.413,210-352-9,613-75-2,Furfurylidene di(acetate),2-furylmethylene diacetate,CC(=O)OC(OC(=O)C)c1occc1,CC(=O)OC(OC(=O)C)c1occc1,"InChI=1/C9H10O5/c1-6(10)13-9(14-7(2)11)8-4-3-5-12-8/h3-5,9H,1-2H3",C9H10O5,,,,,,NHOCEIKFQXQFMX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.418,210-358-1,613-89-8,2-amino-1-phenylethan-1-one,2-amino-1-phenylethanone,NCC(=O)c1ccccc1,NCC(=O)c1ccccc1,"InChI=1/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2",C8H9NO,,,,,,HEQOJEGTZCTHCF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.419,210-359-7,613-90-1,Benzoyl cyanide,oxo(phenyl)acetonitrile,O=C(C#N)c1ccccc1,O=C(C#N)c1ccccc1,InChI=1/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,C8H5NO,,,,,,GJQBHOAJJGIPRH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.427,210-368-6,614-14-2,1-phenylbutan-1-ol,1-phenylbutan-1-ol,CCCC(O)c1ccccc1,CCCC(O)c1ccccc1,"InChI=1/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6H2,1H3",C10H14O,,,,,,HQRWWHIETAKIMO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.433,210-374-9,614-29-9,"1,2-diphenylethanol","1,2-diphenylethanol",OC(Cc1ccccc1)c2ccccc2,OC(Cc1ccccc1)c2ccccc2,"InChI=1/C14H14O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2",C14H14O,,,,,,GBGXVCNOKWAMIP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.435,210-377-5,614-31-3,N-benzyl-N-phenylhydrazine,1-benzyl-1-phenylhydrazine,NN(Cc1ccccc1)c2ccccc2,NN(Cc1ccccc1)c2ccccc2,"InChI=1/C13H14N2/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,14H2",C13H14N2,,,,,,SQMOOVFBFVTTGF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.436,210-378-0,614-32-4,m-tolyl benzoate,3-methylphenyl benzoate,Cc1cccc(OC(=O)c2ccccc2)c1,Cc1cccc(OC(=O)c2ccccc2)c1,"InChI=1/C14H12O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h2-10H,1H3",C14H12O2,,,,,,XYKFCIJKMCQULO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.438,210-380-1,614-34-6,p-tolyl benzoate,4-methylphenyl benzoate,Cc1ccc(OC(=O)c2ccccc2)cc1,Cc1ccc(OC(=O)c2ccccc2)cc1,"InChI=1/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3",C14H12O2,,,,,,LLRZUDIHEZXFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.441,210-383-8,614-47-1,(E)-chalcone,chalcone,O=C(\\C=C\\c1ccccc1)c2ccccc2,O=C(\C=C\c1ccccc1)c2ccccc2,InChI=1/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,C15H12O,,,,,,DQFBYFPFKXHELB-VAWYXSNFSA-N,,,,,,,,,,,
100.009.442,210-384-3,614-48-2,3-nitrochalcone,3-(3-nitrophenyl)-1-phenylprop-2-en-1-one,[O-][N+](=O)c1cccc(\\C=C\\C(=O)c2ccccc2)c1,[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1,InChI=1/C15H11NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-11H,C15H11NO3,,,,,,SMFBODMWKWBFOK-MDZDMXLPSA-N,,,,,,,,,,,
100.009.444,210-386-4,614-60-8,trans-2-hydroxycinnamic acid,3-(2-hydroxyphenyl)acrylic acid,OC(=O)\\C=C\\c1ccccc1O,OC(=O)\C=C\c1ccccc1O,"InChI=1/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",C9H8O3,,,,,,PMOWTIHVNWZYFI-AATRIKPKSA-N,,,,,,,,,,,
100.012.291,213-519-4,964-52-3,Moxisylyte hydrochloride,4-[2-(dimethylamino)ethoxy]-5-isopropyl-2-methylphenyl acetate hydrochloride,Cl.CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C,Cl.CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C,"InChI=1/C16H25NO3.ClH/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;/h9-11H,7-8H2,1-6H3;1H",C16H25NO3.ClH,,,,,,IPWGSXZCDPTDEH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.293,213-522-0,965-52-6,Nifuroxazide,4-hydroxy-N'-[(5-nitro-2-furyl)methylene]benzohydrazide,O=[N+]([O-])c2ccc(C=NNC(=O)c1ccc(O)cc1)o2,O=[N+]([O-])c2ccc(C=NNC(=O)c1ccc(O)cc1)o2,"InChI=1/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)",C12H9N3O5,,,,,,YCWSUKQGVSGXJO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.301,213-530-4,968-81-0,Acetohexamide,4-acetyl-N-(cyclohexylcarbamoyl)benzenesulfonamide,CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,"InChI=1/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)",C15H20N2O4S,,,,,,VGZSUPCWNCWDAN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.303,213-533-0,968-86-5,4-anilino-1-benzylpiperidine-4-carbonitrile,4-anilino-1-benzylpiperidine-4-carbonitrile,N#CC1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,N#CC1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2",C19H21N3,,,,,,AYYPQRMTCMCFSL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.854,211-938-7,716-61-0,"D-(-)threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol","2-amino-1-(4-nitrophenyl)propane-1,3-diol",NC(CO)C(O)c1ccc(cc1)N(=O)=O,NC(CO)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2",C9H12N2O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17611,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.854,OCYJXSUPZMNXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.855,211-939-2,716-79-0,2-phenylbenzimidazole,2-phenyl-1H-benzimidazole,c1ccc(cc1)c2nc3ccccc3[nH]2,c1ccc(cc1)c2nc3ccccc3[nH]2,"InChI=1/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)",C13H10N2,,,,,,DWYHDSLIWMUSOO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.857,211-941-3,717-74-8,"1,3,5-triisopropylbenzene","1,3,5-triisopropylbenzene",CC(C)c1cc(cc(c1)C(C)C)C(C)C,CC(C)c1cc(cc(c1)C(C)C)C(C)C,"InChI=1/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3",C15H24,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12482,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.857,VUMCUSHVMYIRMB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.859,211-943-4,718-64-9,"a,a-bis(trifluoromethyl)benzyl alcohol","1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol",OC(c1ccccc1)(C(F)(F)F)C(F)(F)F,OC(c1ccccc1)(C(F)(F)F)C(F)(F)F,"InChI=1/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H",C9H6F6O,,,,,,IZPIZCAYJQCTNG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.863,211-948-1,719-54-0,10-methylacridin-9(10H)-one,10-methylacridin-9(10H)-one,CN1c2ccccc2C(=O)c3ccccc13,CN1c2ccccc2C(=O)c3ccccc13,"InChI=1/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3",C14H11NO,,,,,,XUVKSPPGPPFPQN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.869,211-954-4,720-75-2,"Methyl [1,1'-biphenyl]-4-carboxylate",methyl biphenyl-4-carboxylate,COC(=O)c1ccc(cc1)c2ccccc2,COC(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C14H12O2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3",C14H12O2,,,,,,GATUGNVDXMYTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.871,211-957-0,721-50-6,Prilocaine,N-(2-methylphenyl)-N~2~-propylalaninamide,CCCNC(C)C(=O)Nc1ccccc1C,CCCNC(C)C(=O)Nc1ccccc1C,"InChI=1/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)",C13H20N2O,,,,,,MVFGUOIZUNYYSO-UHFFFAOYSA-N,Positive,EQ314101|EQ314102|EQ314103|EQ314104|EQ314105|EQ314106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,86.0965:221.1652:136.0759|86.0965:221.1652:136.076|86.0965:136.076:58.0652|86.0965:136.076:118.0653|86.0965:136.076:93.0575|86.0965:93.0574:91.0544,Eawag,,,,,
100.010.875,211-961-2,722-27-0,"4,4'-dithiodianiline","4,4'-disulfanediyldianiline",Nc1ccc(SSc2ccc(N)cc2)cc1,Nc1ccc(SSc2ccc(N)cc2)cc1,"InChI=1/C12H12N2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2",C12H12N2S2,,,,,,MERLDGDYUMSLAY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.880,211-967-5,724-98-1,o-(phenoxymethyl)benzoic acid,2-(phenoxymethyl)benzoic acid,OC(=O)c1ccccc1COc2ccccc2,OC(=O)c1ccccc1COc2ccccc2,"InChI=1/C14H12O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)",C14H12O3,,,,,,YKNORODREYVARM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.889,211-976-4,728-88-1,Tolperisone,2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one,CC(CN1CCCCC1)C(=O)c2ccc(C)cc2,CC(CN1CCCCC1)C(=O)c2ccc(C)cc2,"InChI=1/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3",C16H23NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18224,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.889,FSKFPVLPFLJRQB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.890,211-978-5,728-90-5,2'-nitrobenzanilide,N-(2-nitrophenyl)benzamide,[O-][N+](=O)c1ccccc1NC(=O)c2ccccc2,[O-][N+](=O)c1ccccc1NC(=O)c2ccccc2,"InChI=1/C13H10N2O3/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)",C13H10N2O3,,,,,,ARMSTQBMUHJXHU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.894,211-982-7,729-99-7,Sulfamoxole,"4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide",Cc1oc(NS(=O)(=O)c2ccc(N)cc2)nc1C,Cc1oc(NS(=O)(=O)c2ccc(N)cc2)nc1C,"InChI=1/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",C11H13N3O3S,,,,,,CYFLXLSBHQBMFT-UHFFFAOYSA-N,Positive,mzcloud:4892,[M+H]+,HCD_Averaged,54.03384:65.03858:70.06512:80.04947:92.0495:108.0444:113.0709:140.01645:156.01138,HighChem,,,,,
100.008.600,209-458-8,580-22-3,Quinolin-2-amine,quinolin-2-amine,Nc1ccc2ccccc2n1,Nc1ccc2ccccc2n1,"InChI=1/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)",C9H8N2,,,,,,GCMNJUJAKQGROZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.601,209-459-3,580-48-3,"2-chloro-4,6-bis(diethylamino)-1,3,5-triazine","6-chloro-N,N,N',N'-tetraethyl-1,3,5-triazine-2,4-diamine",CCN(CC)c1nc(Cl)nc(n1)N(CC)CC,CCN(CC)c1nc(Cl)nc(n1)N(CC)CC,"InChI=1/C11H20ClN5/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3",C11H20ClN5,,,,,,QHXDTLYEHWXDSO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.606,209-465-6,581-43-1,"Naphthalene-2,6-diol","naphthalene-2,6-diol",Oc1ccc2cc(O)ccc2c1,Oc1ccc2cc(O)ccc2c1,"InChI=1/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H",C10H8O2,,,,,,MNZMMCVIXORAQL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.607,209-466-1,581-46-4,"3,3'-bipyridine","3,3'-bipyridine",c1cncc(c1)c2cccnc2,c1cncc(c1)c2cccnc2,InChI=1/C10H8N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h1-8H,C10H8N2,,,,,,OFDVABAUFQJWEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.612,209-471-9,581-75-9,"Naphthalene-2,6-disulphonic acid","naphthalene-2,6-disulfonic acid",OS(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)O,OS(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)O,"InChI=1/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)",C10H8O6S2,,,,,,FITZJYAVATZPMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.619,209-479-2,582-22-9,Beta-methylphenethylamine,2-phenylpropan-1-amine,CC(CN)c1ccccc1,CC(CN)c1ccccc1,"InChI=1/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",C9H13N,,,,,,AXORVIZLPOGIRG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.622,209-482-9,582-33-2,Ethyl 3-aminobenzoate,ethyl 3-aminobenzoate,CCOC(=O)c1cccc(N)c1,CCOC(=O)c1cccc(N)c1,"InChI=1/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3",C9H11NO2,,,,,,ZMCBYSBVJIMENC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.623,209-483-4,582-36-5,5-(2-hydroxyethyl)-3-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-4-methylthiazolium chloride,"5-(2-hydroxyethyl)-3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride",[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(O)n1,[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(O)n1,"InChI=1/C12H15N3O2S.ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;/h5,7,16H,3-4,6H2,1-2H3;1H",C12H16N3O2S.Cl,,,,,,RNUAEUWXRHCGKX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.628,209-489-7,582-62-7,Isovalerophenone,3-methyl-1-phenylbutan-1-one,CC(C)CC(=O)c1ccccc1,CC(C)CC(=O)c1ccccc1,"InChI=1/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O,,,,,,HEOVGVNITGAUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.629,209-490-2,582-77-4,3'-methylbenzanilide,N-(3-methylphenyl)benzamide,Cc1cccc(NC(=O)c2ccccc2)c1,Cc1cccc(NC(=O)c2ccccc2)c1,"InChI=1/C14H13NO/c1-11-6-5-9-13(10-11)15-14(16)12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)",C14H13NO,,,,,,PDEGMQCBLXQVLD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.632,209-493-9,583-03-9,Fenipentol,1-phenylpentan-1-ol,CCCCC(O)c1ccccc1,CCCCC(O)c1ccccc1,"InChI=1/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3",C11H16O,,,,,,OVGORFFCBUIFIA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.633,209-494-4,583-04-0,Allyl benzoate,allyl benzoate,C=CCOC(=O)c1ccccc1,C=CCOC(=O)c1ccccc1,"InChI=1/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2",C10H10O2,,,,,,LYJHVEDILOKZCG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.758,208-532-7,532-28-5,Mandelonitrile,hydroxy(phenyl)acetonitrile,OC(C#N)c1ccccc1,OC(C#N)c1ccccc1,"InChI=1/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H",C8H7NO,,,,,,NNICRUQPODTGRU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.760,208-534-8,532-32-1,Sodium benzoate,sodium benzoate,[Na+].[O-]C(=O)c1ccccc1,[Na+].[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",C7H6O2.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14966,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.760,WXMKPNITSTVMEF-UHFFFAOYSA-M,,,,,,,,,,,
100.007.766,208-541-6,532-59-2,(2-benzoyloxy-2-methylbutyl)dimethylammonium chloride,"2-(benzoyloxy)-N,N,2-trimethylbutan-1-aminium chloride",[Cl-].CCC(C)(C[NH+](C)C)OC(=O)c1ccccc1,[Cl-].CCC(C)(C[NH+](C)C)OC(=O)c1ccccc1,"InChI=1/C14H21NO2.ClH/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12;/h6-10H,5,11H2,1-4H3;1H",C14H21NO2.ClH,,,,,,YCAXNWFCHTZUMD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.769,208-544-2,532-76-3,[2-(benzoyloxy)propyl]cyclohexylammonium chloride,N-[2-(benzoyloxy)propyl]cyclohexanaminium chloride,[Cl-].CC(C[NH2+]C1CCCCC1)OC(=O)c2ccccc2,[Cl-].CC(C[NH2+]C1CCCCC1)OC(=O)c2ccccc2,"InChI=1/C16H23NO2.ClH/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H",C16H23NO2.ClH,,,,,,MTFCPNHRBINLRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.770,208-545-8,532-82-1,"4-phenylazophenylene-1,3-diamine monohydrochloride","4-(phenyldiazenyl)benzene-1,3-diamine hydrochloride",Cl.Nc1ccc(N=Nc2ccccc2)c(N)c1,Cl.Nc1ccc(N=Nc2ccccc2)c(N)c1,"InChI=1/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H",C12H12N4.ClH,,,,,,MCTQNEBFZMBRSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.583,212-740-3,865-47-4,Potassium tert-butanolate,potassium 2-methylpropan-2-olate,[K+].CC(C)(C)[O-],[K+].CC(C)(C)[O-],"InChI=1/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1",C4H10O.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13670,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.583,LPNYRYFBWFDTMA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.587,212-745-0,865-52-1,Tetramethylgermanium,tetramethylgermane,C[Ge+](C)(C)C,C[Ge+](C)(C)C,"InChI=1/C4H12Ge/c1-5(2,3)4/h1-4H3",C4H12Ge,,,,,,SXTNGWAUHARCCN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.588,212-746-6,865-71-4,"1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)pentane","1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)pentane",FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F,"InChI=1/C6F14/c7-1(4(12,13)14,2(8,9)5(15,16)17)3(10,11)6(18,19)20",C6F14,,,,,,GXSFAIDPYIEIEF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.606,212-766-5,867-64-1,Tris[oxalato(2-)]digadolinium,"[mu-ethanedioato(2-)-kappaO~1~:kappaO~2~]{bis[ethanedioato(2-)-kappa~2~O~1~,O~2~]}digadolinium",O=C(O[Gd]1OC(=O)C(=O)O1)C(=O)O[Gd]2OC(=O)C(=O)O2,O=C(O[Gd]1OC(=O)C(=O)O1)C(=O)O[Gd]2OC(=O)C(=O)O2,"InChI=1/3C2H2O4.2Gd/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C6Gd2O12,,,,,,SQORATIMOBOFKR-UHFFFAOYSA-H,,,,,,,,,,,
100.011.608,212-768-6,867-81-2,Sodium D-pantothenate,"sodium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate",[Na+].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],[Na+].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],"InChI=1/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1/p-1",C9H17NO5.Na,,,,,,GQTHJBOWLPZUOI-FJXQXJEOSA-M,,,,,,,,,,,
100.011.611,212-771-2,868-16-6,Lithium hydrogen tartrate,lithium hydrogen tartarate,[Li+].OC(C(O)C(=O)[O-])C(=O)[O-],[Li+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Li/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-2",C4H6O6.Li,,,,,,ZPPPLBXXTCVBNC-UHFFFAOYSA-L,,,,,,,,,,,
100.011.485,212-633-1,833-86-3,3-(1-pyrrolidinyl)propiophenone hydrochloride,1-phenyl-3-pyrrolidin-1-ylpropan-1-one hydrochloride,Cl.O=C(CCN1CCCC1)c2ccccc2,Cl.O=C(CCN1CCCC1)c2ccccc2,"InChI=1/C13H17NO.ClH/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14;/h1-3,6-7H,4-5,8-11H2;1H",C13H17NO.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17531,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.485,AACQWMDCFMYTSE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.489,212-637-3,834-28-6,Phenformin hydrochloride,N-(2-phenylethyl)imidodicarbonimidic diamide hydrochloride,Cl.NC(=N)NC(=N)NCCc1ccccc1,Cl.NC(=N)NC(=N)NCCc1ccccc1,"InChI=1/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H",C10H15N5.ClH,,,,,,YSUCWSWKRIOILX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.490,212-638-9,834-94-6,"2',4',6'-trimethoxypropiophenone","1-(2,4,6-trimethoxyphenyl)propan-1-one",CCC(=O)c1c(OC)cc(OC)cc1OC,CCC(=O)c1c(OC)cc(OC)cc1OC,"InChI=1/C12H16O4/c1-5-9(13)12-10(15-3)6-8(14-2)7-11(12)16-4/h6-7H,5H2,1-4H3",C12H16O4,,,,,,QLYHTUKAVJKTQL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.492,212-641-5,835-31-4,Naphazoline,"2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole",C(C1=NCCN1)c2cccc3ccccc23,C(C1=NCCN1)c2cccc3ccccc23,"InChI=1/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)",C14H14N2,,,,,,CNIIGCLFLJGOGP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.495,212-644-1,835-78-9,o-phenethylbenzyl alcohol,[2-(2-phenylethyl)phenyl]methanol,OCc1ccccc1CCc2ccccc2,OCc1ccccc1CCc2ccccc2,"InChI=1/C15H16O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2",C15H16O,,,,,,CPZRYQJPVUJHOS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.503,213-753-7,1007-33-6,Cyclohexyl(isopropyl)methylammonium chloride,N-isopropyl-N-methylcyclohexanaminium chloride,[Cl-].CC(C)[NH+](C)C1CCCCC1,[Cl-].CC(C)[NH+](C)C1CCCCC1,"InChI=1/C10H21N.ClH/c1-9(2)11(3)10-7-5-4-6-8-10;/h9-10H,4-8H2,1-3H3;1H",C10H21N.ClH,,,,,,APNYZLOOHYLFJU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.508,213-758-4,1008-72-6,Sodium 2-formylbenzenesulphonate,sodium 2-formylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccccc1C=O,[Na+].[O-]S(=O)(=O)c1ccccc1C=O,"InChI=1/C7H6O4S.Na/c8-5-6-3-1-2-4-7(6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1",C7H6O4S.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18320,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.508,ADPUQRRLAAPXGT-UHFFFAOYSA-M,,,,,,,,,,,
100.012.510,213-761-0,1008-76-0,<U+03B3>-phenyl-<U+03B3>-butyrolactone,5-phenyldihydrofuran-2(3H)-one,O=C1CCC(O1)c2ccccc2,O=C1CCC(O1)c2ccccc2,"InChI=1/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2",C10H10O2,,,,,,AEUULUMEYIPECD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.514,213-765-2,1008-97-5,p-(1-pyrrolidinyl)phenol,4-pyrrolidin-1-ylphenol,Oc1ccc(cc1)N2CCCC2,Oc1ccc(cc1)N2CCCC2,"InChI=1/C10H13NO/c12-10-5-3-9(4-6-10)11-7-1-2-8-11/h3-6,12H,1-2,7-8H2",C10H13NO,,,,,,UUIJPHGPERPMIF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.516,213-767-3,1009-14-9,Valerophenone,1-phenylpentan-1-one,CCCCC(=O)c1ccccc1,CCCCC(=O)c1ccccc1,"InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C11H14O,,,,,,XKGLSKVNOSHTAD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.445,210-388-5,614-61-9,(2-chlorophenoxy)acetic acid,(2-chlorophenoxy)acetic acid,OC(=O)COc1ccccc1Cl,OC(=O)COc1ccccc1Cl,"InChI=1/C8H7ClO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7ClO3,,,,,,OPQYFNRLWBWCST-UHFFFAOYSA-N,,,,,,,,,,,
100.009.446,210-389-0,614-68-6,o-tolyl isocyanate,1-isocyanato-2-methylbenzene,Cc1ccccc1N=C=O,Cc1ccccc1N=C=O,"InChI=1/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3",C8H7NO,,,,,,VAYMIYBJLRRIFR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.454,210-397-4,614-82-4,"2,4-dihydroxyphenylacetic acid","(2,4-dihydroxyphenyl)acetic acid",OC(=O)Cc1ccc(O)cc1O,OC(=O)Cc1ccc(O)cc1O,"InChI=1/C8H8O4/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)",C8H8O4,,,,,,FSQDURCMBCGCIK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.456,210-400-9,614-96-0,5-methylindole,5-methyl-1H-indole,Cc1ccc2[nH]ccc2c1,Cc1ccc2[nH]ccc2c1,"InChI=1/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3",C9H9N,,,,,,YPKBCLZFIYBSHK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.457,210-401-4,614-97-1,5-methylbenzimidazole,6-methyl-1H-benzimidazole,Cc1ccc2nc[nH]c2c1,Cc1ccc2nc[nH]c2c1,"InChI=1/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)",C8H8N2,,,,,,RWXZXCZBMQPOBF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.458,210-403-5,614-98-2,Ethyl 3-furoate,ethyl 3-furoate,CCOC(=O)c1cocc1,CCOC(=O)c1cocc1,"InChI=1/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3",C7H8O3,,,,,,LOFDXZJSDVCYAS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.462,210-407-7,615-10-1,Propyl 2-furoate,propyl 2-furoate,CCCOC(=O)c1occc1,CCCOC(=O)c1occc1,"InChI=1/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3",C8H10O3,,,,,,HSCVIIISAAEVQT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.278,211-305-5,637-87-6,1-chloro-4-iodobenzene,1-chloro-4-iodobenzene,Clc1ccc(I)cc1,Clc1ccc(I)cc1,InChI=1/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H,C6H4ClI,,,,,,GWQSENYKCGJTRI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.279,211-306-0,637-88-7,"Cyclohexane-1,4-dione","cyclohexane-1,4-dione",O=C1CCC(=O)CC1,O=C1CCC(=O)CC1,InChI=1/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2,C6H8O2,,,,,,DCZFGQYXRKMVFG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.283,211-310-2,637-96-7,Sarcosine hydrochloride,N-methylglycine hydrochloride,Cl.CNCC(=O)O,Cl.CNCC(=O)O,"InChI=1/C3H7NO2.ClH/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);1H",C3H7NO2.ClH,,,,,,WVKIFIROCHIWAY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.284,211-311-8,637-97-8,2-iodopentane,2-iodopentane,CCCC(C)I,CCCC(C)I,"InChI=1/C5H11I/c1-3-4-5(2)6/h5H,3-4H2,1-2H3",C5H11I,,,,,,JUPBFIYJUCWJCT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.288,211-316-5,638-04-0,"cis-1,3-dimethylcyclohexane","1,3-dimethylcyclohexane",C[C@@H]1CCC[C@H](C)C1,C[C@@H]1CCC[C@H](C)C1,"InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3",C8H16,,,,,,SGVUHPSBDNVHKL-OCAPTIKFSA-N,,,,,,,,,,,
100.010.293,211-321-2,638-14-2,"Hexahydro-2,4,6-trimethyl-1,3,5-triazine","2,4,6-trimethyl-1,3,5-triazinane",CC1NC(C)NC(C)N1,CC1NC(C)NC(C)N1,"InChI=1/C6H15N3/c1-4-7-5(2)9-6(3)8-4/h4-9H,1-3H3",C6H15N3,,,,,,MZSSRMMSFLVKPK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.308,211-338-5,638-44-8,"N,N'-(dithiodiethylene)bisacetamide","N,N'-(disulfanediyldiethane-2,1-diyl)diacetamide",CC(=O)NCCSSCCNC(=O)C,CC(=O)NCCSSCCNC(=O)C,"InChI=1/C8H16N2O2S2/c1-7(11)9-3-5-13-14-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)",C8H16N2O2S2,,,,,,KIBCSYBEMXURBL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.310,211-340-6,638-49-3,Pentyl formate,pentyl formate,CCCCCOC=O,CCCCCOC=O,"InChI=1/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3",C6H12O2,,,,,,DIQMPQMYFZXDAX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.311,211-341-1,638-53-9,Tridecanoic acid,tridecanoic acid,CCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCC(=O)O,"InChI=1/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",C13H26O2,,,,,,SZHOJFHSIKHZHA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.313,211-343-2,638-58-4,Myristamide,myristamide,CCCCCCCCCCCCCC(=O)N,CCCCCCCCCCCCCC(=O)N,"InChI=1/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",C14H29NO,,,,,,QEALYLRSRQDCRA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.314,211-344-8,638-59-5,Tetradecyl acetate,tetradecyl acetate,CCCCCCCCCCCCCCOC(=O)C,CCCCCCCCCCCCCCOC(=O)C,"InChI=1/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3",C16H32O2,,,,,,IOUUIFSIQMVYKP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.316,211-346-9,638-66-4,Stearaldehyde,stearaldehyde,CCCCCCCCCCCCCCCCCC=O,CCCCCCCCCCCCCCCCCC=O,"InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3",C18H36O,,,,,,FWWQKRXKHIRPJY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.895,211-983-2,730-23-4,4-[(3-nitrophenyl)azo]aniline,4-[(3-nitrophenyl)diazenyl]aniline,[O-][N+](=O)c2cccc(N=Nc1ccc(N)cc1)c2,[O-][N+](=O)c2cccc(N=Nc1ccc(N)cc1)c2,"InChI=1/C12H10N4O2/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)16(17)18/h1-8H,13H2",C12H10N4O2,,,,,,MDMDJAOEKAAIGH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.896,211-984-8,730-40-5,4-[(4-nitrophenyl)azo]aniline,4-[(4-nitrophenyl)diazenyl]aniline,[O-][N+](=O)c2ccc(N=Nc1ccc(N)cc1)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2",C12H10N4O2,,,,,,UNBOSJFEZZJZLR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.898,211-986-9,731-27-1,Dichloro-N-[(dimethylamino)sulphonyl]fluoro-N-(p-tolyl)methanesulphenamide,"N-{[dichloro(fluoro)methyl]sulfanyl}-N',N'-dimethyl-N-(4-methylphenyl)sulfamide",CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1,"InChI=1/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3",C10H13Cl2FN2O2S2,,,,,,HYVWIQDYBVKITD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.573,212-729-3,862-89-5,17ß-hydroxyestr-4-en-3-one 17-undecanoate,3-oxoestr-4-en-17-yl undecanoate,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3",C29H46O3,,,,,,GRAAWEGTURLYKP-MVTMSODMSA-N,,,,,,,,,,,
100.011.575,212-731-4,864-56-2,Tris(p-tert-pentylphenyl) phosphite,"tris[4-(1,1-dimethylpropyl)phenyl] phosphite",CCC(C)(C)c1ccc(OP(Oc2ccc(cc2)C(C)(C)CC)Oc3ccc(cc3)C(C)(C)CC)cc1,CCC(C)(C)c1ccc(OP(Oc2ccc(cc2)C(C)(C)CC)Oc3ccc(cc3)C(C)(C)CC)cc1,"InChI=1/C33H45O3P/c1-10-31(4,5)25-13-19-28(20-14-25)34-37(35-29-21-15-26(16-22-29)32(6,7)11-2)36-30-23-17-27(18-24-30)33(8,9)12-3/h13-24H,10-12H2,1-9H3",C33H45O3P,,,,,,XGYJGDTVZLADOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.576,212-733-5,865-04-3,Methoserpidine,"methyl 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate",CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,"InChI=1/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3",C33H40N2O9,,,,,,ULBNWNUHGJLQHO-VKMIBBQISA-N,,,,,,,,,,,
100.011.580,212-737-7,865-34-9,Lithium methanolate,lithium methanolate,[Li+].C[O-],[Li+].C[O-],InChI=1/CH3O.Li/c1-2;/h1H3;/q-1;+1,CH4O.Li,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18628,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.580,JILPJDVXYVTZDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.581,212-738-2,865-38-3,Cadmium dithiocyanate,cadmium bis(thiocyanate),[Cd+2].[S-]C#N.[S-]C#N,[Cd+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Cd/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Cd,,,,,,TZXPSFJFFMFFNL-UHFFFAOYSA-L,,,,,,,,,,,
100.011.584,212-741-9,865-48-5,Sodium 2-methylpropan-2-olate,sodium 2-methylpropan-2-olate,[Na+].CC(C)(C)[O-],[Na+].CC(C)(C)[O-],"InChI=1/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1",C4H10O.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14523,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.584,MFRIHAYPQRLWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.585,212-742-4,865-49-6,(2H)chloroform,chloroform,ClC(Cl)Cl,ClC(Cl)Cl,InChI=1/CHCl3/c2-1(3)4/h1H,CCl3D,,,,,,HEDRZPFGACZZDS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.586,212-744-5,865-50-9,Iodo(2H3)methane,iodomethane,CI,CI,InChI=1/CH3I/c1-2/h1H3,CD3I,,,,,,INQOMBQAUSQDDS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.589,212-747-1,865-77-0,"1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane","1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29",C9F19I,,,,,,VRJGWRPPKVEMMR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.591,212-749-2,866-17-1,Disodium tetrahydroxysuccinate,disodium tetrahydroxysuccinate,[Na+].[Na+].OC(O)(C(=O)[O-])C(O)(O)C(=O)[O-],[Na+].[Na+].OC(O)(C(=O)[O-])C(O)(O)C(=O)[O-],"InChI=1/C4H6O8.2Na/c5-1(6)3(9,10)4(11,12)2(7)8;;/h9-12H,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H6O8.2Na,,,,,,JSKIAGGRMZDKAV-UHFFFAOYSA-L,,,,,,,,,,,
100.011.594,212-752-9,866-82-0,Dicopper citrate,"dicopper(2+) 2-oxidopropane-1,2,3-tricarboxylate",[Cu+2].[Cu+2].[O-]C(=O)C([O-])(CC([O-])=O)CC(=O)[O-],[Cu+2].[Cu+2].[O-]C(=O)C([O-])(CC([O-])=O)CC(=O)[O-],"InChI=1/C6H7O7.2Cu/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q-1;2*+2/p-3",C6H8O7.2Cu,,,,,,FWBOFUGDKHMVPI-UHFFFAOYSA-K,,,,,,,,,,,
100.011.599,212-758-1,867-27-6,Demeton-O-methyl,"O-[2-(ethylsulfanyl)ethyl] O,O-dimethyl thiophosphate",CCSCCOP(=S)(OC)OC,CCSCCOP(=S)(OC)OC,"InChI=1/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3",C6H15O3PS2,,,,,,ZVZQKNVMDKSGGF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.609,212-769-1,868-14-4,Potassium hydrogen tartrate,potassium hydrogen tartarate,[K+].OC(C(O)C(=O)[O-])C(=O)[O-],[K+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-2",C4H6O6.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11349,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.609,KYKNRZGSIGMXFH-UHFFFAOYSA-L,,,,,,,,,,,
100.007.771,208-546-3,532-87-6,4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methylpent-3-enyl)cyclohexene,4-(5-methyl-1-methylenehex-4-en-1-yl)-1-(4-methylpent-3-en-1-yl)cyclohexene,CC(=CCCC(=C)C1CCC(=CC1)CCC=C(C)C)C,CC(=CCCC(=C)C1CCC(=CC1)CCC=C(C)C)C,"InChI=1/C20H32/c1-16(2)8-6-10-18(5)20-14-12-19(13-15-20)11-7-9-17(3)4/h8-9,12,20H,5-7,10-11,13-15H2,1-4H3",C20H32,,,,,,GJYJYFHBOBUTBY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.772,208-547-9,532-93-4,Ammonium hippurate,ammonium (benzoylamino)acetate,[NH4+].[O-]C(=O)CNC(=O)c1ccccc1,[NH4+].[O-]C(=O)CNC(=O)c1ccccc1,"InChI=1/C9H9NO3.H3N/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);1H3",C9H9NO3.H3N,,,,,,RXBWNIYFOFYPJR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.775,208-551-0,533-00-6,Barium dibenzoate,barium dibenzoate,[Ba+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Ba+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Ba/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Ba,,,,,,MJIAXOYYJWECDI-UHFFFAOYSA-L,,,,,,,,,,,
100.007.777,208-553-1,533-06-2,2-hydroxy-3-(o-tolyloxy)propyl carbamate,2-hydroxy-3-(2-methylphenoxy)propyl carbamate,Cc1ccccc1OCC(O)COC(=O)N,Cc1ccccc1OCC(O)COC(=O)N,"InChI=1/C11H15NO4/c1-8-4-2-3-5-10(8)15-6-9(13)7-16-11(12)14/h2-5,9,13H,6-7H2,1H3,(H2,12,14)",C11H15NO4,,,,,,KRPAJLYSLFNDOA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.782,208-558-9,533-23-3,"Ethyl 2,4-dichlorophenoxyacetate","ethyl (2,4-dichlorophenoxy)acetate",CCOC(=O)COc1ccc(Cl)cc1Cl,CCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C10H10Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3",C10H10Cl2O3,,,,,,JSLBZIVMVVHMDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.789,208-566-2,533-48-2,(4R-cis)-5-methyl-2-oxoimidazolidine-4-hexanoic acid,6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid,C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O,C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O,"InChI=1/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)",C10H18N2O3,,,,,,AUTOLBMXDDTRRT-JGVFFNPUSA-N,,,,,,,,,,,
100.007.791,208-568-3,533-51-7,Disilver oxalate,disilver(1+) oxalate,[Ag+].[Ag+].[O-]C(=O)C(=O)[O-],[Ag+].[Ag+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.2Ag/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",C2H2O4.2Ag,,,,,,XNGYKPINNDWGGF-UHFFFAOYSA-L,,,,,,,,,,,
100.007.794,208-572-5,533-62-0,3-hydroxyglutamic acid,2-amino-3-hydroxypentanedioic acid (non-preferred name),NC(C(O)CC(=O)O)C(=O)O,NC(C(O)CC(=O)O)C(=O)O,"InChI=1/C5H9NO5/c6-4(5(10)11)2(7)1-3(8)9/h2,4,7H,1,6H2,(H,8,9)(H,10,11)",C5H9NO5,,,,,,LKZIEAUIOCGXBY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.800,208-578-8,533-87-9,"9,10,16-trihydroxyhexadecanoic acid","9,10,16-trihydroxyhexadecanoic acid",OCCCCCCC(O)C(O)CCCCCCCC(=O)O,OCCCCCCC(O)C(O)CCCCCCCC(=O)O,"InChI=1/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)",C16H32O5,,,,,,MEHUJCGAYMDLEL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.801,208-579-3,533-90-4,Calcium diisobutyrate,calcium bis(2-methylpropanoate),[Ca+2].CC(C)C(=O)[O-].CC(C)C(=O)[O-],[Ca+2].CC(C)C(=O)[O-].CC(C)C(=O)[O-],"InChI=1/2C4H8O2.Ca/c2*1-3(2)4(5)6;/h2*3H,1-2H3,(H,5,6);/q;;+2/p-2",C4H8O2.1/2Ca,,,,,,BVTQVYBMHFSYPL-UHFFFAOYSA-L,,,,,,,,,,,
100.007.735,208-507-0,531-37-3,2-methoxyphenyl benzoate,2-methoxyphenyl benzoate,COc1ccccc1OC(=O)c2ccccc2,COc1ccccc1OC(=O)c2ccccc2,"InChI=1/C14H12O3/c1-16-12-9-5-6-10-13(12)17-14(15)11-7-3-2-4-8-11/h2-10H,1H3",C14H12O3,,,,,,IZYQCDNLUPLXOO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.736,208-508-6,531-40-8,2-methoxyphenyl cinnamate,2-methoxyphenyl 3-phenylacrylate,COc1ccccc1OC(=O)\\C=C\\c2ccccc2,COc1ccccc1OC(=O)\C=C\c2ccccc2,"InChI=1/C16H14O3/c1-18-14-9-5-6-10-15(14)19-16(17)12-11-13-7-3-2-4-8-13/h2-12H,1H3",C16H14O3,,,,,,SYKAZDSPTNFPJX-VAWYXSNFSA-N,,,,,,,,,,,
100.007.739,208-511-2,531-55-5,3-methylamino-7-dimethylaminophenothiazin-5-ium chloride,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride,[Cl-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,[Cl-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,"InChI=1/C15H16N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1",C15H16N3S.Cl,,,,,,KFZNPGQYVZZSNV-UHFFFAOYSA-M,,,,,,,,,,,
100.007.742,208-514-9,531-67-9,"2,2'-bipiperidyl","1,1'-bipiperidine",C1CCN(CC1)N2CCCCC2,C1CCN(CC1)N2CCCCC2,InChI=1/C10H20N2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H2,C10H20N2,,,,,,QFDISQIDKZUABE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.743,208-515-4,531-73-7,"Acridine-3,6-diamine dihydrochloride","acridine-3,6-diamine dihydrochloride",Cl.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1,Cl.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1,"InChI=1/C13H11N3.2ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;/h1-7H,14-15H2;2*1H",C13H11N3.2ClH,,,,,,YHIHFKAEJAVELI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.753,209-627-6,588-68-1,Benzaldehyde azine,dibenzylidenehydrazine,C(=NN=Cc1ccccc1)c2ccccc2,C(=NN=Cc1ccccc1)c2ccccc2,InChI=1/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H,C14H12N2,,,,,,CWLGEPSKQDNHIO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.759,209-633-9,589-09-3,N-allylaniline,N-allylaniline,C=CCNc1ccccc1,C=CCNc1ccccc1,"InChI=1/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2",C9H11N,,,,,,LQFLWKPCQITJIH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.763,209-638-6,589-17-3,1-bromo-4-(chloromethyl)benzene,1-bromo-4-(chloromethyl)benzene,ClCc1ccc(Br)cc1,ClCc1ccc(Br)cc1,"InChI=1/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2",C7H6BrCl,,,,,,BSIIGUGKOPPTPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.526,213-778-3,1010-99-7,3-tert-butyl-5-methylpyrocatechol,"3-tert-butyl-5-methylbenzene-1,2-diol",Cc1cc(O)c(O)c(c1)C(C)(C)C,Cc1cc(O)c(O)c(c1)C(C)(C)C,"InChI=1/C11H16O2/c1-7-5-8(11(2,3)4)10(13)9(12)6-7/h5-6,12-13H,1-4H3",C11H16O2,,,,,,YKYXORJDSTUCTN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.532,213-785-1,1011-54-7,(E)-o-methoxycinnamic acid,3-(2-methoxyphenyl)acrylic acid,COc1ccccc1\\C=C\\C(=O)O,COc1ccccc1\C=C\C(=O)O,"InChI=1/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O3,,,,,,FEGVSPGUHMGGBO-VOTSOKGWSA-N,,,,,,,,,,,
100.012.315,213-546-1,973-21-7,Dinobuton,"2-sec-butyl-4,6-dinitrophenyl isopropyl carbonate",CCC(C)c1cc(cc(c1OC(=O)OC(C)C)[N+](=O)[O-])[N+](=O)[O-],CCC(C)c1cc(cc(c1OC(=O)OC(C)C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3",C14H18N2O7,,,,,,HDWLUGYOLUHEMN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.320,213-551-9,976-56-7,"Diethyl [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate","diethyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate",CCOP(=O)(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)OCC,CCOP(=O)(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)OCC,"InChI=1/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3",C19H33O4P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16830,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.320,GJDRKHHGPHLVNI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.322,213-554-5,976-71-6,Canrenone,"10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione",C[C@]54CCC(=O)\\C=C5\\C=C/[C@@H]3[C@@H]4CC[C@@]2(C)[C@H]3CC[C@]12CCC(=O)O1,C[C@]54CCC(=O)\C=C5\C=C/[C@@H]3[C@@H]4CC[C@@]2(C)[C@H]3CC[C@]12CCC(=O)O1,"InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3",C22H28O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12071,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.322,UJVLDDZCTMKXJK-WNHSNXHDSA-N,Positive,SM873101,[M+H]+,HCD35,341.2112:107.0855:187.1117,CASMI_2016,,,,,
100.012.325,213-557-1,978-86-9,4-tritylphenol,4-tritylphenol,Oc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,Oc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H",C25H20O,,,,,,NIPKXTKKYSKEON-UHFFFAOYSA-N,,,,,,,,,,,
100.012.326,213-558-7,979-02-2,"20-oxopregna-5,16-dien-3-ß-yl acetate","20-oxopregna-5,16-dien-3-yl acetate",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1,"InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3",C23H32O3,,,,,,MZWRIOUCMXPLKV-RFOVXIPZSA-N,,,,,,,,,,,
100.012.327,213-559-2,979-32-8,Estradiol valerate,"3-hydroxyestra-1,3,5(10)-trien-17-yl valerate",CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,"InChI=1/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3",C23H32O3,,,,,,RSEPBGGWRJCQGY-RBRWEJTLSA-N,,,,,,,,,,,
100.012.334,213-567-6,982-43-4,"1-[2-[3-(2,2-diphenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine, monohydrochloride","1-{2-[3-(2,2-diphenylethyl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine hydrochloride",Cl.C(Cc1onc(CC(c2ccccc2)c3ccccc3)n1)N4CCCCC4,Cl.C(Cc1onc(CC(c2ccccc2)c3ccccc3)n1)N4CCCCC4,"InChI=1/C23H27N3O.ClH/c1-4-10-19(11-5-1)21(20-12-6-2-7-13-20)18-22-24-23(27-25-22)14-17-26-15-8-3-9-16-26;/h1-2,4-7,10-13,21H,3,8-9,14-18H2;1H",C23H27N3O.ClH,,,,,,ONTOFAWPPHNLML-UHFFFAOYSA-N,,,,,,,,,,,
100.012.335,213-568-1,982-57-0,Chloramphenicol sodium succinate,sodium 4-{2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy}-4-oxobutanoate,[Na+].O[C@@H]([C@@H](COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O,[Na+].O[C@@H]([C@@H](COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O,"InChI=1/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1",C15H16Cl2N2O8.Na,,,,,,RPLOPBHEZLFENN-HTMVYDOJSA-M,,,,,,,,,,,
100.012.337,213-570-2,983-81-3,trans-vinylenebis[diphenylphosphine],"ethene-1,2-diylbis(diphenylphosphine)",C(=CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,C(=CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,InChI=1/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,C26H22P2,,,,,,NCKJIJSEWKIXAT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.341,213-574-4,985-16-0,"Sodium [2S-(2a,5a,6ß)]-6-[[(2-ethoxy-1-naphthyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CCOc1ccc2ccccc2c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O[Na],CCOc1ccc2ccccc2c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O[Na],"InChI=1/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1",C21H22N2O5S.Na,,,,,,AYAPZOUDXCDGIF-UHFFFAOYSA-M,,,,,,,,,,,
100.012.344,213-578-6,987-24-6,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-acetate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3",C24H31FO6,,,,,,AKUJBENLRBOFTD-QZIXMDIESA-N,Positive/Negative,AU203201|AU203202|AU203203|AU203204|AU203205;EQ324401|EQ324402|EQ324404|EQ324405|EQ324406,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD60|HCD75|HCD90,415.2105:435.2163:397.2008|319.169:279.1732:397.2007|147.0797:279.1734:291.1741|147.0791:171.0791:237.1258|147.0795:159.0792:171.0799;397.2006:319.1688:337.1793|147.0803:291.1739:279.1739|147.0802:121.0646:171.0801|91.0541:121.0647:147.0803|91.0541:128.0618:105.0697,Athens_Univ;Eawag,EQ324451|EQ324452|EQ324453|EQ324454|EQ324455|EQ324456,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,59.0138|59.0138:107.0501:121.066|59.0138:121.0658:133.0657|59.0138:121.0657:133.0657|59.0138:133.0659:83.0502|59.0138:133.0658:131.05,Eawag
100.010.318,211-349-5,638-68-6,Triacontane,triacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",C30H62,,,,,,JXTPJDDICSTXJX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.319,211-350-0,638-79-9,"1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-iodo","1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-iodopentane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C5F11I/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17",C5F11I,,,,,,KCEJJSGJNCSQFI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.326,211-357-9,639-48-5,Nicomorphine,"17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dinicotinate",CN1CC[C@]23[C@H]4Oc5c(OC(=O)c6cccnc6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)c7cccnc7)c35,CN1CC[C@]23[C@H]4Oc5c(OC(=O)c6cccnc6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)c7cccnc7)c35,"InChI=1/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3",C29H25N3O5,,,,,,HNDXBGYRMHRUFN-CIVUWBIHSA-N,,,,,,,,,,,
100.011.056,212-162-1,766-20-1,"2,4-dimethyl-1,3-dioxane","2,4-dimethyl-1,3-dioxane",CC1CCOC(C)O1,CC1CCOC(C)O1,"InChI=1/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3",C6H12O2,,,,,,VREPYGYMOSZTKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.058,212-164-2,766-38-1,"3,4-dibromo-5-hydroxyfuran-2(5H)-one","3,4-dibromo-5-hydroxyfuran-2(5H)-one",OC1OC(=O)C(=C1Br)Br,OC1OC(=O)C(=C1Br)Br,"InChI=1/C4H2Br2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H",C4H2Br2O3,,,,,,PKDBSOOYVOEUQR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.062,212-168-4,766-66-5,2-chlorocycloheptan-1-one,2-chlorocycloheptanone,ClC1CCCCCC1=O,ClC1CCCCCC1=O,"InChI=1/C7H11ClO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5H2",C7H11ClO,,,,,,SDSZGDVXUFWFAA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.065,212-172-6,766-84-7,3-chlorobenzonitrile,3-chlorobenzonitrile,Clc1cccc(c1)C#N,Clc1cccc(c1)C#N,InChI=1/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,C7H4ClN,,,,,,WBUOVKBZJOIOAE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.067,212-174-7,766-92-7,Benzyl methyl sulphide,[(methylsulfanyl)methyl]benzene,CSCc1ccccc1,CSCc1ccccc1,"InChI=1/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C8H10S,,,,,,OFQPKKGMNWASPN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.068,212-175-2,767-00-0,4-hydroxybenzonitrile,4-hydroxybenzonitrile,Oc1ccc(cc1)C#N,Oc1ccc(cc1)C#N,"InChI=1/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H",C7H5NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18169,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.068,CVNOWLNNPYYEOH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.069,212-176-8,767-04-4,"1-(1,3-dioxolan-2-yl)acetone","1-(1,3-dioxolan-2-yl)acetone",CC(=O)CC1OCCO1,CC(=O)CC1OCCO1,"InChI=1/C6H10O3/c1-5(7)4-6-8-2-3-9-6/h6H,2-4H2,1H3",C6H10O3,,,,,,FXHIOQYSZLPDAR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.070,212-177-3,767-05-5,Cyclopentanepropanol,3-cyclopentylpropan-1-ol,OCCCC1CCCC1,OCCCC1CCCC1,"InChI=1/C8H16O/c9-7-3-6-8-4-1-2-5-8/h8-9H,1-7H2",C8H16O,,,,,,IBMXMCXCSPGCDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.073,212-181-5,767-15-7,"4,6-dimethylpyrimidin-2-ylamine","4,6-dimethylpyrimidin-2-amine",Cc1cc(C)nc(N)n1,Cc1cc(C)nc(N)n1,"InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)",C6H9N3,,,,,,IDQNBVFPZMCDDN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.077,212-185-7,767-59-9,1-methyl-1H-indene,1-methyl-1H-indene,CC1C=Cc2ccccc12,CC1C=Cc2ccccc12,"InChI=1/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-8H,1H3",C10H10,,,,,,LRTOHSLOFCWHRF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.078,212-186-2,767-64-6,"2,1,3-benzothiadiazol-4-ylamine","2,1,3-benzothiadiazol-4-amine",Nc1cccc2nsnc12,Nc1cccc2nsnc12,"InChI=1/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2",C6H5N3S,,,,,,DRLGIZIAMHIQHL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.085,212-194-6,768-49-0,"ß,ß-dimethylstyrene",(2-methylprop-1-en-1-yl)benzene,CC(=Cc1ccccc1)C,CC(=Cc1ccccc1)C,"InChI=1/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3",C10H12,,,,,,BTOVVHWKPVSLBI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.089,212-198-8,768-59-2,4-ethylbenzyl alcohol,(4-ethylphenyl)methanol,CCc1ccc(CO)cc1,CCc1ccc(CO)cc1,"InChI=1/C9H12O/c1-2-8-3-5-9(7-10)6-4-8/h3-6,10H,2,7H2,1H3",C9H12O,,,,,,YSLBFFIVJGJBSA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.095,212-204-9,769-11-9,2-chloro-6-nitroaniline,2-chloro-6-nitroaniline,Nc1c(Cl)cccc1[N+](=O)[O-],Nc1c(Cl)cccc1[N+](=O)[O-],"InChI=1/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2",C6H5ClN2O2,,,,,,VOTXWUCYIOPNNR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.104,212-214-3,769-78-8,Vinyl benzoate,vinyl benzoate,C=COC(=O)c1ccccc1,C=COC(=O)c1ccccc1,"InChI=1/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2",C9H8O2,,,,,,KOZCZZVUFDCZGG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.889,213-077-2,922-61-2,3-methylpent-2-ene,3-methylpent-2-ene,CC(CC)=CC,CC(CC)=CC,"InChI=1/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3",C6H12,,,,,,BEQGRRJLJLVQAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.890,213-078-8,922-62-3,(Z)-3-methylpent-2-ene,3-methylpent-2-ene,CC\\C(=C/C)\\C,CC\C(=C/C)\C,"InChI=1/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3",C6H12,,,,,,BEQGRRJLJLVQAQ-XQRVVYSFSA-N,,,,,,,,,,,
100.011.610,212-770-7,868-15-5,Lithium potassium tartrate,lithium potassium tartarate,[Li+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],[Li+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.K.Li/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C4H6O6.K.Li,,,,,,GEDUFZJYMAHTBF-UHFFFAOYSA-L,,,,,,,,,,,
100.011.612,212-772-8,868-17-7,Dilithium tartrate,dilithium tartarate,[Li+].[Li+].OC(C(O)C(=O)[O-])C(=O)[O-],[Li+].[Li+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.2Li/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C4H6O6.2Li,,,,,,JCCYXJAEFHYHPP-UHFFFAOYSA-L,,,,,,,,,,,
100.011.614,212-774-9,868-19-9,Strontium tartrate,strontium tartarate,[Sr+2].OC(C(O)C(=O)[O-])C(=O)[O-],[Sr+2].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Sr/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2",C4H6O6.Sr,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16618,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.614,IUMOPUXDPFMEMV-UHFFFAOYSA-L,,,,,,,,,,,
100.011.618,212-779-6,868-59-7,Ethyl L-cysteinate hydrochloride,ethyl L-cysteinate hydrochloride,Cl.CCOC(=O)[C@@H](N)CS,Cl.CCOC(=O)[C@@H](N)CS,"InChI=1/C5H11NO2S.ClH/c1-2-8-5(7)4(6)3-9;/h4,9H,2-3,6H2,1H3;1H",C5H11NO2S.ClH,,,,,,JFKJWWJOCJHMGV-WCCKRBBISA-N,,,,,,,,,,,
100.011.481,212-628-4,833-43-2,o-nitrophenethyl acetate,2-(2-nitrophenyl)ethyl acetate,CC(=O)OCCc1ccccc1[N+](=O)[O-],CC(=O)OCCc1ccccc1[N+](=O)[O-],"InChI=1/C10H11NO4/c1-8(12)15-7-6-9-4-2-3-5-10(9)11(13)14/h2-5H,6-7H2,1H3",C10H11NO4,,,,,,JTDNAYJQWWTNDA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.488,212-636-8,834-25-3,Benzyl p-tolyl ether,1-(benzyloxy)-4-methylbenzene,Cc1ccc(OCc2ccccc2)cc1,Cc1ccc(OCc2ccccc2)cc1,"InChI=1/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3",C14H14O,,,,,,CHBXCQHBCCLICW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.494,212-643-6,835-71-2,2-p-tolylbenzoxazole,"2-(4-methylphenyl)-1,3-benzoxazole",Cc1ccc(cc1)c2oc3ccccc3n2,Cc1ccc(cc1)c2oc3ccccc3n2,"InChI=1/C14H11NO/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3",C14H11NO,,,,,,UTMZWCTVPHAOJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.496,212-645-7,835-79-0,o-(benzyloxy)anisole,1-(benzyloxy)-2-methoxybenzene,COc1ccccc1OCc2ccccc2,COc1ccccc1OCc2ccccc2,"InChI=1/C14H14O2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3",C14H14O2,,,,,,MNELLQACUSWKSP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.504,213-754-2,1007-42-7,Histidine hydrochloride,histidine hydrochloride,Cl.NC(Cc1c[nH]cn1)C(=O)O,Cl.NC(Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H",C6H9N3O2.xClH,,,,,,QZNNVYOVQUKYSC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.507,213-757-9,1007-57-4,"2-ethoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane","2-ethoxy-5,5-dimethyl-1,3,2-dioxaphosphinane",CCOP1OCC(C)(C)CO1,CCOP1OCC(C)(C)CO1,"InChI=1/C7H15O3P/c1-4-8-11-9-5-7(2,3)6-10-11/h4-6H2,1-3H3",C7H15O3P,,,,,,CNAJZRQKQRDTJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.517,213-768-9,1009-36-5,2-chloro-5-nitroanisole,1-chloro-2-methoxy-4-nitrobenzene,COc1cc(ccc1Cl)[N+](=O)[O-],COc1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3",C7H6ClNO3,,,,,,JXIJUAWSDBACEB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.519,213-771-5,1009-62-7,"2,2-dimethyl-3-phenylpropionaldehyde","2,2-dimethyl-3-phenylpropanal",CC(C)(Cc1ccccc1)C=O,CC(C)(Cc1ccccc1)C=O,"InChI=1/C11H14O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O,,,,,,KYUNECWPKRYPJM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.524,213-776-2,1010-60-2,"2-chloro-1,4-naphthoquinone","2-chloro-1,4-naphthoquinone",ClC1=CC(=O)c2ccccc2C1=O,ClC1=CC(=O)c2ccccc2C1=O,InChI=1/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,C10H5ClO2,,,,,,CCTJHVLTAJTPBV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.527,213-779-9,1011-12-7,2-cyclohexylidenecyclohexanone,"1,1'-bi(cyclohexyliden)-2-one",O=C1CCCCC1=C2CCCCC2,O=C1CCCCC1=C2CCCCC2,InChI=1/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H2,C12H18O,,,,,,TYDSIOSLHQWFOU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.530,213-783-0,1011-48-9,"1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-one","1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanone",CC(=O)C1COc2ccccc2O1,CC(=O)C1COc2ccccc2O1,"InChI=1/C10H10O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,10H,6H2,1H3",C10H10O3,,,,,,KVCWAZWJLMNADA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.318,213-549-8,974-41-4,"8-benzyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one","8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",O=C1NCN(c2ccccc2)C13CCN(Cc4ccccc4)CC3,O=C1NCN(c2ccccc2)C13CCN(Cc4ccccc4)CC3,"InChI=1/C20H23N3O/c24-19-20(23(16-21-19)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,24)",C20H23N3O,,,,,,QMECPMOWMNRLSL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.323,213-555-0,977-79-7,Medrogestone,"6,17-dimethylpregna-4,6-diene-3,20-dione",CC(=O)[C@@]2(C)CC[C@H]3[C@@H]4/C=C(/C)\\C1=C\\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,CC(=O)[C@@]2(C)CC[C@H]3[C@@H]4/C=C(/C)\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,"InChI=1/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3",C23H32O2,,,,,,HCFSGRMEEXUOSS-JXEXPEPMSA-N,,,,,,,,,,,
100.008.766,209-641-2,589-29-7,p-phenylenedimethanol,"1,4-phenylenedimethanol",OCc1ccc(CO)cc1,OCc1ccc(CO)cc1,"InChI=1/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2",C8H10O2,,,,,,BWVAOONFBYYRHY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.775,209-651-7,589-55-9,Heptan-4-ol,heptan-4-ol,CCCC(O)CCC,CCCC(O)CCC,"InChI=1/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3",C7H16O,,,,,,YVBCULSIZWMTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.097,207-805-8,495-62-5,2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-ene,"4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene",C/C(C)=C\\CCC(C)=C1C\\C=C(\\C)CC1,C/C(C)=C\CCC(C)=C1C\C=C(\C)CC1,"InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3",C15H24,,,,,,XBGUIVFBMBVUEG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.099,207-807-9,495-73-8,Benquinox,"N'-[4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene]benzohydrazide",O\\N=C2\\C=C/C(=NNC(=O)c1ccccc1)/C=C2,O\N=C2\C=C/C(=NNC(=O)c1ccccc1)/C=C2,"InChI=1/C13H11N3O2/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(16-18)9-7-11/h1-9,18H,(H,15,17)",C13H11N3O2,,,,,,MQIVNMHALJNFMG-PTVXNVIWSA-N,,,,,,,,,,,
100.007.106,207-815-2,496-14-0,"1,3-dihydroisobenzofuran","1,3-dihydro-2-benzofuran",C1OCc2ccccc12,C1OCc2ccccc12,"InChI=1/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2",C8H8O,,,,,,SFLGSKRGOWRGBR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.107,207-816-8,496-15-1,Indoline,indoline,C1Cc2ccccc2N1,C1Cc2ccccc2N1,"InChI=1/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2",C8H9N,,,,,,LPAGFVYQRIESJQ-UHFFFAOYSA-N,Positive,SM836003,[M+H]+,HCD35,120.0806:103.0541:118.065,CASMI_2016,,,,,
100.007.113,207-823-6,496-63-9,3-hydroxy-4H-pyran-4-one,3-hydroxy-4H-pyran-4-one,OC1=COC=CC1=O,OC1=COC=CC1=O,"InChI=1/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H",C5H4O3,,,,,,VEYIMQVTPXPUHA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.124,207-835-1,497-06-3,"3-butene-1,2-diol","but-3-ene-1,2-diol",OCC(O)C=C,OCC(O)C=C,"InChI=1/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2",C4H8O2,,,,,,ITMIAZBRRZANGB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.125,207-836-7,497-09-6,L-(-)-glyceraldehyde,"2,3-dihydroxypropanal",OCC(O)C=O,OCC(O)C=O,"InChI=1/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2",C3H6O3,,,,,,MNQZXJOMYWMBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.129,207-840-9,497-25-6,"1,3-oxazolidin-2-one","1,3-oxazolidin-2-one",O=C1NCCO1,O=C1NCCO1,"InChI=1/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",C3H5NO2,,,,,,IZXIZTKNFFYFOF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.144,207-857-1,498-21-5,Methylsuccinic acid,2-methylsuccinic acid,CC(CC(=O)O)C(=O)O,CC(CC(=O)O)C(=O)O,"InChI=1/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)",C5H8O4,,,,,,WXUAQHNMJWJLTG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.145,207-858-7,498-23-7,Citraconic acid,2-methylbut-2-enedioic acid,C\\C(=C\\C(=O)O)\\C(=O)O,C\C(=C\C(=O)O)\C(=O)O,"InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)",C5H6O4,,,,,,HNEGQIOMVPPMNR-IHWYPQMZSA-N,,,,,,,,,,,
100.007.146,207-859-2,498-24-8,Mesaconic acid,2-methylbut-2-enedioic acid,C\\C(=C/C(=O)O)\\C(=O)O,C\C(=C/C(=O)O)\C(=O)O,"InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)",C5H6O4,,,,,,HNEGQIOMVPPMNR-NSCUHMNNSA-N,,,,,,,,,,,
100.007.147,207-860-8,498-36-2,2-hydroxy-4-methylvaleric acid,2-hydroxy-4-methylpentanoic acid,CC(C)CC(O)C(=O)O,CC(C)CC(O)C(=O)O,"InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",C6H12O3,,,,,,LVRFTAZAXQPQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.148,207-861-3,498-40-8,L-cysteic acid,3-sulfoalanine,NC(CS(=O)(=O)O)C(=O)O,NC(CS(=O)(=O)O)C(=O)O,"InChI=1/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)",C3H7NO5S,,,,,,XVOYSCVBGLVSOL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.150,207-863-4,498-59-9,Djenkolic acid,"3,3'-(methylenedisulfanediyl)bis(2-aminopropanoic acid) (non-preferred name)",N[C@@H](CSCSC[C@H](N)C(O)=O)C(O)=O,N[C@@H](CSCSC[C@H](N)C(O)=O)C(O)=O,"InChI=1/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)",C7H14N2O4S2,,,,,,JMQMNWIBUCGUDO-WHFBIAKZSA-N,,,,,,,,,,,
100.008.641,209-503-1,583-47-1,"4-benzyloxazolidine-2,5-dione","4-benzyl-1,3-oxazolidine-2,5-dione",O=C1NC(Cc2ccccc2)C(=O)O1,O=C1NC(Cc2ccccc2)C(=O)O1,"InChI=1/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)",C10H9NO3,,,,,,GQBIVYSGPXCELZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.643,209-505-2,583-50-6,D-erythrose,"2,3,4-trihydroxybutanal",OC[C@@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@@H](O)C=O,"InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2",C4H8O4,,,,,,YTBSYETUWUMLBZ-IUYQGCFVSA-N,,,,,,,,,,,
100.008.647,209-509-4,583-57-3,"1,2-dimethylcyclohexane","1,2-dimethylcyclohexane",CC1CCCCC1C,CC1CCCCC1C,"InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3",C8H16,,,,,,KVZJLSYJROEPSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.347,213-581-2,987-84-8,3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-a-glutamyl]-L-alanine,N-[(benzyloxy)carbonyl]-D-alpha-glutamyl-L-phenylalanine,OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,"InChI=1/C22H24N2O7/c25-19(26)12-11-17(24-22(30)31-14-16-9-5-2-6-10-16)20(27)23-18(21(28)29)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29)",C22H24N2O7,,,,,,ZORDBMVWKMEZAC-ROUUACIJSA-N,,,,,,,,,,,
100.012.356,213-591-7,992-04-1,"3',4',5',6'-tetraphenyl-o-terphenyl","3',4',5',6'-tetraphenyl-o-terphenyl",c1ccc(cc1)c2c(c3ccccc3)c(c4ccccc4)c(c5ccccc5)c(c6ccccc6)c2c7ccccc7,c1ccc(cc1)c2c(c3ccccc3)c(c4ccccc4)c(c5ccccc5)c(c6ccccc6)c2c7ccccc7,InChI=1/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H,C42H30,,,,,,QBHWPVJPWQGYDS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.357,213-592-2,992-21-2,Lymecycline,"N~2~-[({[4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracen-2-yl]carbonyl}amino)methyl]-L-lysine",CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN[C@@H](CCCCN)C(=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O,CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN[C@@H](CCCCN)C(=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O,"InChI=1/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-16(27(40)41)8-4-5-10-30/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)",C29H38N4O10,,,,,,WLQCPSFWJHLZAY-CCZWQWCCSA-N,,,,,,,,,,,
100.010.902,211-991-6,733-07-3,"1,1'-methylenebis[2,4,6-trimethylbenzene]","1,1'-methylenebis(2,4,6-trimethylbenzene)",Cc1cc(C)c(Cc2c(C)cc(C)cc2C)c(C)c1,Cc1cc(C)c(Cc2c(C)cc(C)cc2C)c(C)c1,"InChI=1/C19H24/c1-12-7-14(3)18(15(4)8-12)11-19-16(5)9-13(2)10-17(19)6/h7-10H,11H2,1-6H3",C19H24,,,,,,ZQYQPPLKPFBKLD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.904,211-993-7,733-51-7,4-(diethylamino)benzenediazonium hexafluorophosphate,4-(diethylamino)benzenediazonium hexafluorophosphate,CCN(CC)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,CCN(CC)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C10H14N3.F6P/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;1-7(2,3,4,5)6/h5-8H,3-4H2,1-2H3;/q+1;-1",C10H14N3.F6P,,,,,,OJWDEGPZASILLY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.906,211-995-8,734-32-7,"Estr-4-ene-3,17-dione","estr-4-ene-3,17-dione",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O,"InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3",C18H24O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18736,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.906,JRIZOGLBRPZBLQ-QXUSFIETSA-N,,,,,,,,,,,
100.010.907,211-996-3,734-59-8,(4-bromophenyl)diphenylphosphine,(4-bromophenyl)(diphenyl)phosphine,Brc1ccc(cc1)P(c2ccccc2)c3ccccc3,Brc1ccc(cc1)P(c2ccccc2)c3ccccc3,InChI=1/C18H14BrP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,C18H14BrP,,,,,,YNLBCLNFEOKEHA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.913,212-004-1,737-31-5,Sodium amidotrizoate,"sodium 3,5-diacetamido-2,4,6-triiodobenzoate",[Na+].Ic1c(NC(C)=O)c(I)c(c(I)c1NC(C)=O)C([O-])=O,[Na+].Ic1c(NC(C)=O)c(I)c(c(I)c1NC(C)=O)C([O-])=O,"InChI=1/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1",C11H9I3N2O4.Na,,,,,,ZEYOIOAKZLALAP-UHFFFAOYSA-M,,,,,,,,,,,
100.010.920,212-012-5,742-20-1,Cyclopenthiazide,"6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl,NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl,"InChI=1/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)",C13H18ClN3O4S2,,,,,,BKYKPTRYDKTTJY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.926,212-018-8,746-53-2,"2,4,5,7-tetranitrofluoren-9-one","2,4,5,7-tetranitro-9H-fluoren-9-one",[O-][N+](=O)c1cc2C(=O)c3cc(cc(c3c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc2C(=O)c3cc(cc(c3c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1/C13H4N4O9/c18-13-7-1-5(14(19)20)3-9(16(23)24)11(7)12-8(13)2-6(15(21)22)4-10(12)17(25)26/h1-4H,C13H4N4O9,,,,,,JOERSAVCLPYNIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.927,212-019-3,747-36-4,Hydroxychloroquine sulphate,2-[{4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethanol sulfate (salt),CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.OS(=O)(=O)O,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.OS(=O)(=O)O,"InChI=1/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)",C18H26ClN3O.H2O4S,,,,,,JCBIVZZPXRZKTI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.928,212-020-9,747-45-5,Quinidine hydrogen sulphate,6'-methoxycinchonan-9-ol sulfate (salt),COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O,"InChI=1/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)",C20H24N2O2.H2O4S,,,,,,AKYHKWQPZHDOBW-VJAUXQICSA-N,,,,,,,,,,,
100.010.929,212-021-4,747-90-0,"Cholesta-3,5-diene","cholesta-3,5-diene",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3",C27H44,,,,,,RLHIRZFWJBOHHD-HKQCOZBKSA-N,,,,,,,,,,,
100.011.895,213-084-0,922-68-9,Methyl oxoacetate,methyl glyoxylate,COC(=O)C=O,COC(=O)C=O,"InChI=1/C3H4O3/c1-6-3(5)2-4/h2H,1H3",C3H4O3,,,,,,KFKXSMSQHIOMSO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.898,213-087-7,923-06-8,Bromosuccinic acid,4-bromo-4-oxobutanoic acid,OC(=O)CCC(Br)=O,OC(=O)CCC(Br)=O,"InChI=1/C4H5BrO3/c5-3(6)1-2-4(7)8/h1-2H2,(H,7,8)",C4H5BrO4,,,,,,QVRFHQHUSNMPMW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.902,213-091-9,923-27-3,D-lysine,D-lysine,NCCCC[C@@H](N)C(=O)O,NCCCC[C@@H](N)C(=O)O,"InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)",C6H14N2O2,,,,,,KDXKERNSBIXSRK-RXMQYKEDSA-N,,,,,,,,,,,
100.011.905,213-095-0,923-34-2,Triethylindium,triethylindium,CC[In](CC)CC,CC[In](CC)CC,"InChI=1/3C2H5.In/c3*1-2;/h3*1H2,2H3;/rC6H15In/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15In,,,,,,OTRPZROOJRIMKW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.909,213-099-2,923-73-9,"2,2'-oxydiethylenediaminetetra(acetic acid)","2,2',2'',2'''-[oxybis(ethane-2,1-diylnitrilo)]tetraacetic acid",OC(=O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O,OC(=O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1/C12H20N2O9/c15-9(16)5-13(6-10(17)18)1-3-23-4-2-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)",C12H20N2O9,,,,,,SLVOVFVZZFUEAS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.913,213-103-2,924-42-5,N-(hydroxymethyl)acrylamide,N-(hydroxymethyl)acrylamide,OCNC(=O)C=C,OCNC(=O)C=C,"InChI=1/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)",C4H7NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15038,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.913,CNCOEDDPFOAUMB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.915,213-105-3,924-44-7,Ethyl glyoxylate,ethyl glyoxylate,CCOC(=O)C=O,CCOC(=O)C=O,"InChI=1/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3",C4H6O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18142,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.915,DBPFRRFGLYGEJI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.921,213-112-1,925-05-3,Isobutyl hydrogen maleate,4-isobutoxy-4-oxobut-2-enoic acid,CC(C)COC(=O)\\C=C/C(=O)O,CC(C)COC(=O)\C=C/C(=O)O,"InChI=1/C8H12O4/c1-6(2)5-12-8(11)4-3-7(9)10/h3-4,6H,5H2,1-2H3,(H,9,10)",C8H12O4,,,,,,UKXDHEBARGMWMO-ARJAWSKDSA-N,,,,,,,,,,,
100.011.923,213-114-2,925-15-5,Dipropyl succinate,dipropyl succinate,CCCOC(=O)CCC(=O)OCCC,CCCOC(=O)CCC(=O)OCCC,"InChI=1/C10H18O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-8H2,1-2H3",C10H18O4,,,,,,SZHZCPHKDJWHNG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.925,213-116-3,925-21-3,Butyl hydrogen maleate,4-butoxy-4-oxobut-2-enoic acid,CCCCOC(=O)\\C=C/C(=O)O,CCCCOC(=O)\C=C/C(=O)O,"InChI=1/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)",C8H12O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10749,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.925,UTOVMEACOLCUCK-PLNGDYQASA-N,,,,,,,,,,,
100.011.929,213-121-0,925-69-9,6-methyloctan-2-one,6-methyloctan-2-one,CCC(C)CCCC(=O)C,CCC(C)CCCC(=O)C,"InChI=1/C9H18O/c1-4-8(2)6-5-7-9(3)10/h8H,4-7H2,1-3H3",C9H18O,,,,,,FYYTUZVGGBLDOP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.934,213-126-8,925-83-7,Sebacohydrazide,decanedihydrazide,NNC(=O)CCCCCCCCC(=O)NN,NNC(=O)CCCCCCCCC(=O)NN,"InChI=1/C10H22N4O2/c11-13-9(15)7-5-3-1-2-4-6-8-10(16)14-12/h1-8,11-12H2,(H,13,15)(H,14,16)",C10H22N4O2,,,,,,ZWLIYXJBOIDXLL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.935,213-127-3,925-90-6,Bromoethylmagnesium,bromo(ethyl)magnesium,CC[Mg]Br,CC[Mg]Br,"InChI=1/C2H5.BrH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1/rC2H5BrMg/c1-2-4-3/h2H2,1H3",C2H5BrMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11473,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.935,TWTWFMUQSOFTRN-UHFFFAOYSA-M,,,,,,,,,,,
100.011.938,213-131-5,926-03-4,"Ethyl hydrogen sulphate, calcium salt",-,[Ca+2].CCOS(=O)(=O)O,[Ca+2].CCOS(=O)(=O)O,"InChI=1/C2H6O4S.Ca/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2",C2H6O4S.1/2Ca,,,,,,OXJIULJGFLQYEP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.940,213-133-6,926-09-0,Di[(2H3)methyl] sulphide,dimethyl sulfide,CSC,CSC,InChI=1/C2H6S/c1-3-2/h1-2H3,C2D6S,,,,,,QMMFVYPAHWMCMS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.469,210-415-0,615-20-3,2-chlorobenzothiazole,"2-chloro-1,3-benzothiazole",Clc1nc2ccccc2s1,Clc1nc2ccccc2s1,InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,C7H4ClNS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10968,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.469,BSQLQMLFTHJVKS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.470,210-416-6,615-21-4,Benzothiazol-2-ylhydrazine,"2-hydrazino-1,3-benzothiazole",NNc1nc2ccccc2s1,NNc1nc2ccccc2s1,"InChI=1/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)",C7H7N3S,,,,,,JYSUYJCLUODSLN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.482,210-429-7,615-48-5,2-mercapto-5-chloroanilinium chloride,5-chloro-2-sulfanylanilinium chloride,[Cl-].[NH3+]c1cc(Cl)ccc1S,[Cl-].[NH3+]c1cc(Cl)ccc1S,"InChI=1/C6H6ClNS.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H,8H2;1H",C6H6ClNS.ClH,,,,,,PJKZHTVMXNCMJV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.485,210-432-3,615-53-2,Ethyl methylnitrosocarbamate,ethyl methyl(nitroso)carbamate,CCOC(=O)N(C)N=O,CCOC(=O)N(C)N=O,"InChI=1/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3",C4H8N2O3,,,,,,CAUBWLYZCDDYEF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.489,210-437-0,615-59-8,"2,5-dibromotoluene","1,4-dibromo-2-methylbenzene",Cc1cc(Br)ccc1Br,Cc1cc(Br)ccc1Br,"InChI=1/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",C7H6Br2,,,,,,QKEZTJYRBHOKHH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.492,210-440-7,615-65-6,2-chloro-p-toluidine,2-chloro-4-methylaniline,Cc1ccc(N)c(Cl)c1,Cc1ccc(N)c(Cl)c1,"InChI=1/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3",C7H8ClN,,,,,,XGYLSRFSXKAYCR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.324,213-556-6,977-96-8,1-ethyl-2-[(1-ethyl-2(1H)-quinolylidene)methyl]quinolinium iodide,1-ethyl-2-[(1-ethylquinolin-2(1H)-ylidene)methyl]quinolinium iodide,[I-].CC[n+]3c4ccccc4ccc3C=C2\\C=C/c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=C2\C=C/c1ccccc1N2CC,"InChI=1/C23H23N2.HI/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2.I,,,,,,GMYRVMSXMHEDTL-UHFFFAOYSA-M,,,,,,,,,,,
100.012.328,213-560-8,979-92-0,(S)-5'-(S)-(3-amino-3-carboxypropyl)-5'-thioadenosine,"2-amino-4-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)",NC(CCSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23)C(=O)O,NC(CCSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23)C(=O)O,"InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)",C14H20N6O5S,,,,,,ZJUKTBDSGOFHSH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.329,213-561-3,980-26-7,"5,12-dihydro-2,9-dimethylquino[2,3-b]acridine-7,14-dione","2,9-dimethyl-5,12-dihydroquino[2,3-b]acridine-7,14-dione",Cc1ccc2Nc3cc4C(=O)c5cc(C)ccc5Nc4cc3C(=O)c2c1,Cc1ccc2Nc3cc4C(=O)c5cc(C)ccc5Nc4cc3C(=O)c2c1,"InChI=1/C22H16N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-10H,1-2H3,(H,23,25)(H,24,26)",C22H16N2O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15097,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.329,TXWSZJSDZKWQAU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.336,213-569-7,983-80-2,cis-vinylenebis[diphenylphosphine],"ethene-1,2-diylbis(diphenylphosphine)",C(=CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,C(=CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,InChI=1/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,C26H22P2,,,,,,NCKJIJSEWKIXAT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.339,213-572-3,985-11-5,"1-(3,4-diethoxybenzyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolinium chloride","1-(3,4-diethoxybenzyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolinium chloride",[Cl-].CCOc1ccc(CC2[NH2+]CCc3cc(OCC)c(OCC)cc23)cc1OCC,[Cl-].CCOc1ccc(CC2[NH2+]CCc3cc(OCC)c(OCC)cc23)cc1OCC,"InChI=1/C24H33NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-10,14-16,20,25H,5-8,11-13H2,1-4H3;1H",C24H33NO4.ClH,,,,,,UFMDADDQBPEVKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.342,213-576-5,986-10-7,"2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexa(isopropoxy)-1,2,3,4,5,6-triazatriphosphorine","2,2,4,4,6,6-hexaisopropoxy-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine",CC(C)Op1(OC(C)C)np(OC(C)C)(OC(C)C)np(OC(C)C)(OC(C)C)n1,CC(C)Op1(OC(C)C)np(OC(C)C)(OC(C)C)np(OC(C)C)(OC(C)C)n1,"InChI=1/C18H42N3O6P3/c1-13(2)22-28(23-14(3)4)19-29(24-15(5)6,25-16(7)8)21-30(20-28,26-17(9)10)27-18(11)12/h13-18H,1-12H3",C18H42N3O6P3,,,,,,DNZJBFOSYOVVGV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.348,213-582-8,988-75-0,N-[N-[(benzyloxy)carbonyl]-L-a-glutamyl]-L-tyrosine,N-[(benzyloxy)carbonyl]-D-alpha-glutamyl-L-tyrosine,OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O,OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O,"InChI=1/C22H24N2O8/c25-16-8-6-14(7-9-16)12-18(21(29)30)23-20(28)17(10-11-19(26)27)24-22(31)32-13-15-4-2-1-3-5-15/h1-9,17-18,25H,10-13H2,(H,23,28)(H,24,31)(H,26,27)(H,29,30)",C22H24N2O8,,,,,,XLUMOZQZGPJGTL-ROUUACIJSA-N,,,,,,,,,,,
100.012.349,213-583-3,988-93-2,"Ethyl 3-ethyl-2-[5-(3-ethyl-3H-benzoselenazol-2-ylidene)penta-1,3-dienyl]benzoselenazolium sulphate","3-ethyl-2-[5-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoselenazol-3-ium ethyl sulfate",[O-]S(=O)(=O)OCC.CC[n+]3c4ccccc4[se]c3C=CC=CC=C2[Se]c1ccccc1N2CC,[O-]S(=O)(=O)OCC.CC[n+]3c4ccccc4[se]c3C=CC=CC=C2[Se]c1ccccc1N2CC,-,C23H23N2Se2.C2H5O4S,,,,,,TVODQOCUGBJPPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.012.352,213-587-5,989-96-8,"9-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)","2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl dihydrogen phosphate",CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)COP(=O)(O)O,CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)COP(=O)(O)O,"InChI=1/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)",C24H32FO9P,,,,,,NXLTXRVPGUCAHF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.355,213-590-1,991-84-4,"2,6-di-tert-butyl-4-(4,6-bis(octylthio)-1,3,5-triazin-2-ylamino)phenol","4-{[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol",CCCCCCCCSc1nc(Nc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nc(SCCCCCCCC)n1,CCCCCCCCSc1nc(Nc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nc(SCCCCCCCC)n1,"InChI=1/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37)",C33H56N4OS2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11227,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.355,QRLSTWVLSWCGBT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.900,211-989-5,732-26-3,"2,4,6-tri-tert-butylphenol","2,4,6-tri-tert-butylphenol",CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3",C18H30O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5641,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.900,PFEFOYRSMXVNEL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.650,209-513-6,583-60-8,2-methylcyclohexanone,2-methylcyclohexanone,CC1CCCCC1=O,CC1CCCCC1=O,"InChI=1/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3",C7H12O,,,,,,LFSAPCRASZRSKS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.653,209-516-2,583-69-7,Bromohydroquinone,"2-bromobenzene-1,4-diol",Oc1ccc(O)c(Br)c1,Oc1ccc(O)c(Br)c1,"InChI=1/C6H5BrO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H",C6H5BrO2,,,,,,REFDOIWRJDGBHY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.656,209-519-9,583-75-5,4-bromo-o-toluidine,4-bromo-2-methylaniline,Cc1cc(Br)ccc1N,Cc1cc(Br)ccc1N,"InChI=1/C7H8BrN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3",C7H8BrN,,,,,,PCHYYOCUCGCSBU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.660,209-524-6,583-93-7,"2,6-diaminopimelic acid","2,6-diaminoheptanedioic acid",NC(CCCC(N)C(=O)O)C(=O)O,NC(CCCC(N)C(=O)O)C(=O)O,"InChI=1/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)",C7H14N2O4,,,,,,GMKMEZVLHJARHF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.662,209-526-7,584-02-1,Pentan-3-ol,pentan-3-ol,CCC(O)CC,CCC(O)CC,"InChI=1/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",C5H12O,,,,,,AQIXEPGDORPWBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.663,209-527-2,584-03-2,"Butane-1,2-diol","butane-1,2-diol",CCC(O)CO,CCC(O)CO,"InChI=1/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3",C4H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17002,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.663,BMRWNKZVCUKKSR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.668,209-533-5,584-13-4,"4H-1,2,4-triazol-4-ylamine","4H-1,2,4-triazol-4-amine",Nn1cnnc1,Nn1cnnc1,"InChI=1/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2",C2H4N4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17738,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.668,FMCUPJKTGNBGEC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.670,209-535-6,584-26-9,1-acetyl-2-thiohydantoin,1-acetyl-2-thioxoimidazolidin-4-one,CC(=O)N1CC(=O)NC1=S,CC(=O)N1CC(=O)NC1=S,"InChI=1/C5H6N2O2S/c1-3(8)7-2-4(9)6-5(7)10/h2H2,1H3,(H,6,9,10)",C5H6N2O2S,,,,,,DDWXNUFFAFBJDG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.676,209-541-9,584-70-3,2'-methylbenzanilide,N-(2-methylphenyl)benzamide,Cc1ccccc1NC(=O)c2ccccc2,Cc1ccccc1NC(=O)c2ccccc2,"InChI=1/C14H13NO/c1-11-7-5-6-10-13(11)15-14(16)12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)",C14H13NO,,,,,,BSASAHDKONAXQX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.678,209-544-5,584-84-9,4-methyl-m-phenylene diisocyanate,"2,4-diisocyanato-1-methylbenzene",Cc1ccc(cc1N=C=O)N=C=O,Cc1ccc(cc1N=C=O)N=C=O,"InChI=1/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3",C9H6N2O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14277,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.678,DVKJHBMWWAPEIU-UHFFFAOYSA-N,Positive,SM832302,[M+H]+,HCD35,175.0504:147.0554:132.0445,CASMI_2016,,,,,
100.008.685,209-551-3,585-24-0,Isobutyl lactate,isobutyl 2-hydroxypropanoate,CC(C)COC(=O)C(C)O,CC(C)COC(=O)C(C)O,"InChI=1/C7H14O3/c1-5(2)4-10-7(9)6(3)8/h5-6,8H,4H2,1-3H3",C7H14O3,,,,,,WBPAQKQBUKYCJS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.686,209-552-9,585-25-1,"Octane-2,3-dione","octane-2,3-dione",CCCCCC(=O)C(=O)C,CCCCCC(=O)C(=O)C,"InChI=1/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3",C8H14O2,,,,,,XCBBNTFYSLADTO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.691,209-558-1,585-54-6,Sodium hydrogen [4-(acetamido)phenyl]arsonate,sodium hydrogen (4-acetamidophenyl)arsonate,[Na+].CC(=O)Nc1ccc(cc1)[As](=O)([O-])[O-],[Na+].CC(=O)Nc1ccc(cc1)[As](=O)([O-])[O-],"InChI=1/C8H10AsNO4.Na/c1-6(11)10-8-4-2-7(3-5-8)9(12,13)14;/h2-5H,1H3,(H,10,11)(H2,12,13,14);/q;+1/p-2",C8H10AsNO4.Na,,,,,,WZRLZJZFXQBDNC-UHFFFAOYSA-L,,,,,,,,,,,
100.007.810,208-589-8,534-15-6,"1,1-dimethoxyethane","1,1-dimethoxyethane",COC(C)OC,COC(C)OC,"InChI=1/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3",C4H10O2,,,,,,SPEUIVXLLWOEMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.816,208-596-6,534-26-9,"4,5-dihydro-2-methyl-1H-imidazole","2-methyl-4,5-dihydro-1H-imidazole",CC1=NCCN1,CC1=NCCN1,"InChI=1/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)",C4H8N2,,,,,,VWSLLSXLURJCDF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.822,208-602-7,534-59-8,Butylmalonic acid,butylmalonic acid,CCCCC(C(=O)O)C(=O)O,CCCCC(C(=O)O)C(=O)O,"InChI=1/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,MCRZWYDXIGCFKO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.825,208-605-3,534-73-6,6-O-a-D-glucopyranosyl-D-glucitol,6-O-alpha-D-glucopyranosyl-D-glucitol,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2",C12H24O11,,,,,,SERLAGPUMNYUCK-YJOKQAJESA-N,,,,,,,,,,,
100.007.827,208-607-4,534-97-4,D-arabino-hexosulose bis(phenylhydrazone),"5,6-bis(phenylhydrazono)hexane-1,2,3,4-tetrol (non-preferred name)",OCC(O)C(O)C(O)C(=NNc1ccccc1)C=NNc2ccccc2,OCC(O)C(O)C(O)C(=NNc1ccccc1)C=NNc2ccccc2,"InChI=1/C18H22N4O4/c23-12-16(24)18(26)17(25)15(22-21-14-9-5-2-6-10-14)11-19-20-13-7-3-1-4-8-13/h1-11,16-18,20-21,23-26H,12H2",C18H22N4O4,,,,,,BZVNQJMWJJOFFB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.939,212-032-4,752-13-6,"Riboflavin, 2',3',4',5'-tetraacetate","2,3,4,5-tetra-O-acetyl-1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol",CC(=O)OCC(OC(=O)C)C(OC(=O)C)C(CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13)OC(=O)C,CC(=O)OCC(OC(=O)C)C(OC(=O)C)C(CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13)OC(=O)C,"InChI=1/C25H28N4O10/c1-11-7-17-18(8-12(11)2)29(23-21(26-17)24(34)28-25(35)27-23)9-19(37-14(4)31)22(39-16(6)33)20(38-15(5)32)10-36-13(3)30/h7-8,19-20,22H,9-10H2,1-6H3,(H,28,34,35)",C25H28N4O10,,,,,,VKVDYPHLGLIXAG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.942,212-036-6,752-61-4,Digitalin,"3-[(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide",CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O,CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O,"InChI=1/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3",C36H56O14,,,,,,CKNOLMVLQUPVMU-YMMLYESFSA-N,,,,,,,,,,,
100.010.944,212-038-7,753-61-7,Hydroxymethyloxostannane,(oxostannyl)methanol,OC[Sn]=O,OC[Sn]=O,"InChI=1/CH3O.O.Sn/c1-2;;/h2H,1H2;;/q;;+1/rCH3O2Sn/c2-1-4-3/h2H,1H2/q+1",CH4O2Sn,,,,,,WRTFVDBTCNYCHA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.945,212-039-2,753-73-1,Dimethyltin dichloride,dimethyltin dichloride,[Cl-].[Cl-].C[Sn+2]C,[Cl-].[Cl-].C[Sn+2]C,InChI=1/2CH3.2ClH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2/rC2H6Sn.2ClH/c1-3-2;;/h1-2H3;2*1H/q+2;;/p-2,C2H6Cl2Sn,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5370,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.945,PKKGKUDPKRTKLJ-UHFFFAOYSA-L,,,,,,,,,,,
100.010.947,212-041-3,753-90-2,"2,2,2-trifluoroethylamine","2,2,2-trifluoroethanamine",NCC(F)(F)F,NCC(F)(F)F,"InChI=1/C2H4F3N/c3-2(4,5)1-6/h1,6H2",C2H4F3N,,,,,,KIPSRYDSZQRPEA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.621,212-782-2,868-77-9,2-hydroxyethyl methacrylate,2-hydroxyethyl methacrylate,CC(=C)C(=O)OCCO,CC(=C)C(=O)OCCO,"InChI=1/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3",C6H10O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15124,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.621,WOBHKFSMXKNTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.623,212-784-3,869-06-7,Magnesium malate,magnesium malate,[Mg+2].OC(CC(=O)[O-])C(=O)[O-],[Mg+2].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.Mg/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2",C4H6O5.Mg,,,,,,JFQQIWNDAXACSR-UHFFFAOYSA-L,,,,,,,,,,,
100.011.624,212-785-9,869-19-2,N-glycyl-L-leucine,glycyl-L-leucine,CC(C)C[C@H](NC(=O)CN)C(=O)O,CC(C)C[C@H](NC(=O)CN)C(=O)O,"InChI=1/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",C8H16N2O3,,,,,,DKEXFJVMVGETOO-LURJTMIESA-N,,,,,,,,,,,
100.011.626,212-788-5,869-25-0,2-chloropropyl(diethyl)amine hydrochloride,"2-chloro-N,N-diethylpropan-1-amine hydrochloride",Cl.CCN(CC)CC(C)Cl,Cl.CCN(CC)CC(C)Cl,"InChI=1/C7H16ClN.ClH/c1-4-9(5-2)6-7(3)8;/h7H,4-6H2,1-3H3;1H",C7H16ClN.ClH,,,,,,WNKXRJOYUCAQLE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.631,212-793-2,870-24-6,2-chloroethylammonium chloride,2-chloroethanaminium chloride,[Cl-].[NH3+]CCCl,[Cl-].[NH3+]CCCl,"InChI=1/C2H6ClN.ClH/c3-1-2-4;/h1-2,4H2;1H",C2H6ClN.ClH,,,,,,ONRREFWJTRBDRA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.632,212-794-8,870-30-4,Phosphorisocyanatidic dichloride,phosphorisocyanatidic dichloride,ClP(=O)(Cl)N=C=O,ClP(=O)(Cl)N=C=O,"InChI=1/CCl2NO2P/c2-7(3,6)4-1-5",CCl2NO2P,,,,,,QKPIQPBNFUNZSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.634,212-796-9,870-50-8,Di-tert-butyl azodicarboxylate,"di-tert-butyl diazene-1,2-dicarboxylate",CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C,CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C,"InChI=1/C10H18N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3",C10H18N2O4,,,,,,QKSQWQOAUQFORH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.638,212-801-4,870-73-5,Ethyl dithioacetate,ethyl ethane(dithioate),CCSC(=S)C,CCSC(=S)C,"InChI=1/C4H8S2/c1-3-6-4(2)5/h3H2,1-2H3",C4H8S2,,,,,,KCOPWUJJPSTRIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.640,212-804-0,871-22-7,"1,1'-[ethylidenebis(oxy)]dibutane","1,1'-[ethane-1,1-diylbis(oxy)]dibutane",CCCCOC(C)OCCCC,CCCCOC(C)OCCCC,"InChI=1/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3",C10H22O2,,,,,,SWTCCCJQNPGXLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.647,212-811-9,871-78-3,"N,N'-ethylenedi(diacetamide)","N,N'-ethane-1,2-diyldiacetamide",CC(=O)NCCNC(=O)C,CC(=O)NCCNC(=O)C,"InChI=1/C6H12N2O2/c1-5(9)7-3-4-8-6(2)10/h3-4H2,1-2H3,(H,7,9)(H,8,10)",C6H12N2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6519,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.647,WNYIBZHOMJZDKN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.649,212-814-5,871-83-0,2-methylnonane,2-methylnonane,CCCCCCCC(C)C,CCCCCCCC(C)C,"InChI=1/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3",C10H22,,,,,,SGVYKUFIHHTIFL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.651,212-816-6,871-89-6,Dibutylhydroaluminium,dibutylaluminum(1+),CCCC[Al]CCCC,CCCC[Al]CCCC,"InChI=1/2C4H9.Al/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q;;+1/rC8H18Al/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3/q+1",C8H19Al,,,,,,VTZJFPSWNQFPCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.494,210-442-8,615-67-8,Chlorohydroquinone,"2-chlorobenzene-1,4-diol",Oc1ccc(O)c(Cl)c1,Oc1ccc(O)c(Cl)c1,"InChI=1/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H",C6H5ClO2,,,,,,AJPXTSMULZANCB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.495,210-443-3,615-71-4,"Benzene-1,2,4-triyltriamine","benzene-1,2,4-triamine",Nc1ccc(N)c(N)c1,Nc1ccc(N)c(N)c1,"InChI=1/C6H9N3/c7-4-1-2-5(8)6(9)3-4/h1-3H,7-9H2",C6H9N3,,,,,,JSYBAZQQYCNZJE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.497,210-445-4,615-76-9,"3-mercapto-6-methyl-1,2,4-triazin-5(2H)-one","6-methyl-3-sulfanyl-1,2,4-triazin-5(2H)-one",CC1=NNC(=NC1=O)S,CC1=NNC(=NC1=O)S,"InChI=1/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)",C4H5N3OS,,,,,,NKOPQOSBROLOFP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.503,210-452-2,615-90-7,"2,5-dimethylhydroquinone","2,5-dimethylbenzene-1,4-diol",Cc1cc(O)c(C)cc1O,Cc1cc(O)c(C)cc1O,"InChI=1/C8H10O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4,9-10H,1-2H3",C8H10O2,,,,,,GPASWZHHWPVSRG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.508,210-458-5,615-99-6,Diallyl oxalate,diallyl oxalate,C=CCOC(=O)C(=O)OCC=C,C=CCOC(=O)C(=O)OCC=C,"InChI=1/C8H10O4/c1-3-5-11-7(9)8(10)12-6-4-2/h3-4H,1-2,5-6H2",C8H10O4,,,,,,BKXRKRANFLFTFU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.515,210-465-3,616-12-6,(E)-3-methylpent-2-ene,3-methylpent-2-ene,CC\\C(=C\\C)\\C,CC\C(=C\C)\C,"InChI=1/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3",C6H12,,,,,,BEQGRRJLJLVQAQ-GQCTYLIASA-N,,,,,,,,,,,
100.010.332,211-364-7,640-57-3,p-(phenylsulphonyl)toluene,1-methyl-4-(phenylsulfonyl)benzene,Cc1ccc(cc1)S(=O)(=O)c2ccccc2,Cc1ccc(cc1)S(=O)(=O)c2ccccc2,"InChI=1/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3",C13H12O2S,,,,,,YBRXHRWLEFCFEG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.335,211-367-3,640-67-5,Manganese oxalate,manganese(2+) oxalate,[Mn+2].[O-]C(=O)C(=O)[O-],[Mn+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Mn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Mn,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6549,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.335,RGVLTEMOWXGQOS-UHFFFAOYSA-L,,,,,,,,,,,
100.010.346,211-379-9,641-91-8,"1,2,5-trimethylnaphthalene","1,2,5-trimethylnaphthalene",Cc1ccc2c(C)cccc2c1C,Cc1ccc2c(C)cccc2c1C,"InChI=1/C13H14/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3/h4-8H,1-3H3",C13H14,,,,,,KTDQNLIDLMRHCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.347,211-380-4,642-15-9,"3-(3-formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate","2-[(4-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate (non-preferred name)",CCCCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)CC(C)(NC(=O)c2ccc(NC=O)cc2O)OC1=O,CCCCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)CC(C)(NC(=O)c2ccc(NC=O)cc2O)OC1=O,"InChI=1/C28H40N2O9/c1-6-7-8-9-10-21-25(38-23(33)13-17(2)3)18(4)37-24(34)15-28(5,39-27(21)36)30-26(35)20-12-11-19(29-16-31)14-22(20)32/h11-12,14,16-18,21,25,32H,6-10,13,15H2,1-5H3,(H,29,31)(H,30,35)",C28H40N2O9,,,,,,WLQPZHLLTDVFOU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.351,211-385-1,642-59-1,"3-hydroxy-4-[(4-sulphonaphthyl)azo]naphthalene-2,7-disulphonic acid","3-hydroxy-4-[(4-sulfo-1-naphthyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)c4ccc(N=Nc1c2ccc(cc2cc(c1O)S(O)(=O)=O)S(O)(=O)=O)c3ccccc34,OS(=O)(=O)c4ccc(N=Nc1c2ccc(cc2cc(c1O)S(O)(=O)=O)S(O)(=O)=O)c3ccccc34,"InChI=1/C20H14N2O10S3/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)",C20H14N2O10S3,,,,,,IRPXADUBAQAOKL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.354,211-388-8,642-72-8,Benzydamine,"3-[(1-benzyl-1H-indazol-3-yl)oxy]-N,N-dimethylpropan-1-amine",CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13,CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13,"InChI=1/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3",C19H23N3O,,,,,,CNBGNNVCVSKAQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.360,211-395-6,643-13-0,D-fructose 6-(dihydrogen phosphate),6-O-phosphono-beta-D-fructofuranose,OC[C@@]1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,OC[C@@]1(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,"InChI=1/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)",C6H13O9P,,,,,,BGWGXPAPYGQALX-ARQDHWQXSA-N,,,,,,,,,,,
100.010.365,211-400-1,643-58-3,"2-methyl-1,1'-biphenyl",2-methylbiphenyl,Cc1ccccc1c2ccccc2,Cc1ccccc1c2ccccc2,"InChI=1/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3",C13H12,,,,,,ALLIZEAXNXSFGD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.901,211-990-0,732-85-4,(S)-2-amino-4-methyl-N-2-naphthylvaleramide,N-2-naphthylleucinamide,CC(C)CC(N)C(=O)Nc1ccc2ccccc2c1,CC(C)CC(N)C(=O)Nc1ccc2ccccc2c1,"InChI=1/C16H20N2O/c1-11(2)9-15(17)16(19)18-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)",C16H20N2O,,,,,,JWHURRLUBVMKOT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.909,211-998-4,735-06-8,2'-fluoro-2-methylamino-5-nitrobenzophenone,(2-fluorophenyl)[2-(methylamino)-5-nitrophenyl]methanone,CNc1ccc(cc1C(=O)c2ccccc2F)[N+](=O)[O-],CNc1ccc(cc1C(=O)c2ccccc2F)[N+](=O)[O-],"InChI=1/C14H11FN2O3/c1-16-13-7-6-9(17(19)20)8-11(13)14(18)10-4-2-3-5-12(10)15/h2-8,16H,1H3",C14H11FN2O3,,,,,,GVXPKRIRHDRCGY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.910,212-001-5,736-30-1,"p,p'-dinitrobibenzyl","1,1'-ethane-1,2-diylbis(4-nitrobenzene)",O=N(=O)c1ccc(CCc2ccc(cc2)N(=O)=O)cc1,O=N(=O)c1ccc(CCc2ccc(cc2)N(=O)=O)cc1,"InChI=1/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2",C14H12N2O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7759,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.910,BSNKHEKTRWNNAC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.914,212-005-7,738-66-9,"N,N'-methanetetraylbis[4-nitroaniline]","N,N'-bis(4-nitrophenyl)carbodiimide",[O-][N+](=O)c1ccc(cc1)N=C=Nc2ccc(cc2)[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)N=C=Nc2ccc(cc2)[N+](=O)[O-],InChI=1/C13H8N4O4/c18-16(19)12-5-1-10(2-6-12)14-9-15-11-3-7-13(8-4-11)17(20)21/h1-8H,C13H8N4O4,,,,,,JYGXGJKTQJJNCG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.924,212-016-7,744-59-2,N-(N-benzoylglycyl)-3-phenyl-L-alanine,N-benzoylglycylphenylalanine,OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c2ccccc2,OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c2ccccc2,"InChI=1/C18H18N2O4/c21-16(12-19-17(22)14-9-5-2-6-10-14)20-15(18(23)24)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,22)(H,20,21)(H,23,24)",C18H18N2O4,,,,,,CCLJGZGVIQBNDH-HNNXBMFYSA-N,,,,,,,,,,,
100.010.925,212-017-2,745-65-3,Alprostadil,"11,15-dihydroxy-9-oxoprost-13-en-1-oic acid",O[C@@H]1CC(=O)[C@H](CCCCCCC(O)=O)[C@H]1C=C[C@@H](O)CCCCC,O[C@@H]1CC(=O)[C@H](CCCCCCC(O)=O)[C@H]1C=C[C@@H](O)CCCCC,"InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)",C20H34O5,,,,,,GMVPRGQOIOIIMI-DODZYUBVSA-N,,,,,,,,,,,
100.010.930,212-023-5,748-97-0,a-[4-[2-(dimethylamino)ethoxy]phenyl]-ß-ethyl-a-phenylphenethyl alcohol,"1-{4-[2-(dimethylamino)ethoxy]phenyl}-1,2-diphenylbutan-1-ol",CCC(c1ccccc1)C(O)(c2ccccc2)c3ccc(OCCN(C)C)cc3,CCC(c1ccccc1)C(O)(c2ccccc2)c3ccc(OCCN(C)C)cc3,"InChI=1/C26H31NO2/c1-4-25(21-11-7-5-8-12-21)26(28,22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2)3/h5-18,25,28H,4,19-20H2,1-3H3",C26H31NO2,,,,,,VFFBJZCCXOYRNN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.935,212-028-2,751-83-7,"[3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenylphosphonium sulphate","bis{[3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dien-1-yl](triphenyl)phosphonium} sulfate",CC4(C)CCCC(\\C)=C4\\C=CC(C)=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]S([O-])(=O)=O.CC(=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C=C\\C4=C(/C)CCCC4(C)C,CC4(C)CCCC(\C)=C4\C=CC(C)=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]S([O-])(=O)=O.CC(=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C=C\C4=C(/C)CCCC4(C)C,"InChI=1/2C33H38P.H2O4S/c2*1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;1-5(2,3)4/h2*5-13,16-24H,14-15,25-26H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C33H38P.HO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17512,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.935,GUDTYCBEWHJHAJ-UHFFFAOYSA-L,,,,,,,,,,,
100.010.941,212-035-0,752-60-3,"4,4',4''-[nitrilotris(methylene)]tris[2,6-bis(1,1-dimethylethyl)phenol]","4,4',4''-[nitrilotris(methylene)]tris(2,6-di-tert-butylphenol)",CC(C)(C)c1cc(CN(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CN(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C45H69NO3/c1-40(2,3)31-19-28(20-32(37(31)47)41(4,5)6)25-46(26-29-21-33(42(7,8)9)38(48)34(22-29)43(10,11)12)27-30-23-35(44(13,14)15)39(49)36(24-30)45(16,17)18/h19-24,47-49H,25-27H2,1-18H3",C45H69NO3,,,,,,BOQNWBDBDUWBMT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.946,212-040-8,753-89-9,"1-chloro-2,2-dimethylpropane","1-chloro-2,2-dimethylpropane",CC(C)(C)CCl,CC(C)(C)CCl,"InChI=1/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3",C5H11Cl,,,,,,JEKYMVBQWWZVHO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.948,212-042-9,754-05-2,Trimethylvinylsilane,"(1,2-dimethylprop-1-en-1-yl)silane",CC(=C(C)[SiH3])C,CC(=C(C)[SiH3])C,"InChI=1/C5H12Si/c1-4(2)5(3)6/h1-3,6H3",C5H12Si,,,,,,KJXJKBSJOFRRBT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.627,212-789-0,869-29-4,Allylidene di(acetate),"prop-1-ene-3,3-diyl diacetate",CC(=O)OC(OC(=O)C)C=C,CC(=O)OC(OC(=O)C)C=C,"InChI=1/C7H10O4/c1-4-7(10-5(2)8)11-6(3)9/h4,7H,1H2,2-3H3",C7H10O4,,,,,,TXECTBGVEUDNSL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.628,212-790-6,869-52-3,"3,6,9,12-tetrakis(carboxymethyl)-3,6,9,12-tetraazatetradecanedioic acid","3,6,9,12-tetrakis(carboxymethyl)-3,6,9,12-tetraazatetradecane-1,14-dioic acid (non-preferred name)",OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,"InChI=1/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)",C18H30N4O12,,,,,,RAEOEMDZDMCHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.629,212-791-1,870-08-6,Dioctyltin oxide,dioctyl(oxo)stannane,CCCCCCCC[Sn](=O)CCCCCCCC,CCCCCCCC[Sn](=O)CCCCCCCC,"InChI=1/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;/rC16H34OSn/c1-3-5-7-9-11-13-15-18(17)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34OSn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15870,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.629,LQRUPWUPINJLMU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.830,208-611-6,535-15-9,Ethyl dichloroacetate,ethyl dichloroacetate,CCOC(=O)C(Cl)Cl,CCOC(=O)C(Cl)Cl,"InChI=1/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",C4H6Cl2O2,,,,,,IWYBVQLPTCMVFO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.834,208-615-8,535-65-9,Glybuthiazol,"4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,"InChI=1/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16)",C12H16N4O2S2,,,,,,DVQVBLBKEXITIK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.847,208-629-4,536-37-8,Sodium 2-hexyldecanoate,sodium 2-hexyldecanoate,[Na+].CCCCCCCCC(CCCCCC)C(=O)[O-],[Na+].CCCCCCCCC(CCCCCC)C(=O)[O-],"InChI=1/C16H32O2.Na/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2;/h15H,3-14H2,1-2H3,(H,17,18);/q;+1/p-1",C16H32O2.Na,,,,,,PJBYSIMNLVXLRD-UHFFFAOYSA-M,,,,,,,,,,,
100.007.857,208-640-4,536-60-7,4-isopropylbenzyl alcohol,(4-isopropylphenyl)methanol,CC(C)c1ccc(CO)cc1,CC(C)c1ccc(CO)cc1,"InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3",C10H14O,,,,,,OIGWAXDAPKFNCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.778,209-654-3,589-62-8,Octan-4-ol,octan-4-ol,CCCCC(O)CCC,CCCCC(O)CCC,"InChI=1/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3",C8H18O,,,,,,WOFPPJOZXUTRAU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.781,209-658-5,589-66-2,Isobutyl 2-butenoate,isobutyl but-2-enoate,CC=CC(=O)OCC(C)C,CC=CC(=O)OCC(C)C,"InChI=1/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3",C8H14O2,,,,,,XDOWKOALJBOBBL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.783,209-660-6,589-81-1,3-methylheptane,3-methylheptane,CCCCC(C)CC,CCCCC(C)CC,"InChI=1/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3",C8H18,,,,,,LAIUFBWHERIJIH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.785,209-662-7,589-87-7,1-bromo-4-iodobenzene,1-bromo-4-iodobenzene,Brc1ccc(I)cc1,Brc1ccc(I)cc1,InChI=1/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H,C6H4BrI,,,,,,UCCUXODGPMAHRL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.786,209-663-2,589-90-2,"1,4-dimethylcyclohexane","1,4-dimethylcyclohexane",CC1CCC(C)CC1,CC1CCC(C)CC1,"InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3",C8H16,,,,,,QRMPKOFEUHIBNM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.787,209-664-8,589-91-3,"4-methylcyclohexanol, mixed isomers",4-methylcyclohexanol,CC1CCC(O)CC1,CC1CCC(O)CC1,"InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3",C7H14O,,,,,,MQWCXKGKQLNYQG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.790,209-667-4,589-98-0,Octan-3-ol,octan-3-ol,CCCCCC(O)CC,CCCCCC(O)CC,"InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3",C8H18O,,,,,,NMRPBPVERJPACX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.793,209-671-6,590-14-7,1-bromopropene,1-bromoprop-1-ene,BrC=CC,BrC=CC,"InChI=1/C3H5Br/c1-2-3-4/h2-3H,1H3",C3H5Br,,,,,,NNQDMQVWOWCVEM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.798,209-676-3,590-28-3,Potassium cyanate,potassium cyanate,[K+].[O-]C#N,[K+].[O-]C#N,InChI=1/CHNO.K/c2-1-3;/h3H;/q;+1/p-1,CHNO.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10124,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.798,GKKCIDNWFBPDBW-UHFFFAOYSA-M,,,,,,,,,,,
100.008.800,209-678-4,590-34-1,Allylarsonic acid,allylarsonic acid,O[As](=O)(O)CC=C,O[As](=O)(O)CC=C,"InChI=1/C3H7AsO3/c1-2-3-4(5,6)7/h2H,1,3H2,(H2,5,6,7)",C3H7AsO3,,,,,,KADVUADSGCRCHA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.801,209-680-5,590-35-2,"2,2-dimethylpentane","2,2-dimethylpentane",CCCC(C)(C)C,CCCC(C)(C)C,"InChI=1/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3",C7H16,,,,,,CXOWYJMDMMMMJO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.803,209-682-6,590-42-1,tert-butyl isothiocyanate,2-isothiocyanato-2-methylpropane,CC(C)(C)N=C=S,CC(C)(C)N=C=S,"InChI=1/C5H9NS/c1-5(2,3)6-4-7/h1-3H3",C5H9NS,,,,,,ZFWFRTVIIMTOLY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.805,209-684-7,590-47-6,(carboxymethyl)trimethylammonium hydroxide,"carboxy-N,N,N-trimethylmethanaminium hydroxide",[OH-].C[N+](C)(C)CC(=O)O,[OH-].C[N+](C)(C)CC(=O)O,"InChI=1/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2",C5H12NO2.HO,,,,,,NJZRLXNBGZBREL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.810,209-689-4,590-73-8,"2,2-dimethylhexane","2,2-dimethylhexane",CCCCC(C)(C)C,CCCCC(C)(C)C,"InChI=1/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3",C8H18,,,,,,FLTJDUOFAQWHDF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.815,209-695-7,590-93-2,2-butynoic acid,but-2-ynoic acid,CC#CC(=O)O,CC#CC(=O)O,"InChI=1/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)",C4H4O2,,,,,,LUEHNHVFDCZTGL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.816,209-696-2,590-97-6,Bromomethyl acetate,bromomethyl acetate,CC(=O)OCBr,CC(=O)OCBr,"InChI=1/C3H5BrO2/c1-3(5)6-2-4/h2H2,1H3",C3H5BrO2,,,,,,NHYXMAKLBXBVEO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.831,209-712-8,591-31-1,3-methoxybenzaldehyde,3-methoxybenzaldehyde,COc1cccc(C=O)c1,COc1cccc(C=O)c1,"InChI=1/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3",C8H8O2,,,,,,WMPDAIZRQDCGFH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.653,212-818-7,871-95-4,Dodecyldimethylphosphine oxide,dodecyl(dimethyl)phosphine oxide,CCCCCCCCCCCCP(=O)(C)C,CCCCCCCCCCCCP(=O)(C)C,"InChI=1/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3",C14H31OP,,,,,,SIDULKZCBGMXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.658,212-823-4,872-35-5,Imidazole-2-thiol,1H-imidazole-2-thiol,Sc1ncc[nH]1,Sc1ncc[nH]1,"InChI=1/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)",C3H4N2S,,,,,,OXFSTTJBVAAALW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.664,212-830-2,872-55-9,2-ethylthiophene,2-ethylthiophene,CCc1cccs1,CCc1cccs1,"InChI=1/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3",C6H8S,,,,,,JCCCMAAJYSNBPR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.665,212-831-8,872-71-9,Sodium pyrrolidine-1-carbodithioate,sodium pyrrolidine-1-carbodithioate,[Na+].[S-]C(=S)N1CCCC1,[Na+].[S-]C(=S)N1CCCC1,"InChI=1/C5H9NS2.Na/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);/q;+1/p-1",C5H9NS2.Na,,,,,,KAPVVZCIKRASLC-UHFFFAOYSA-M,,,,,,,,,,,
100.011.668,212-834-4,872-98-0,"5,5-dimethyl-1,3-dioxane","5,5-dimethyl-1,3-dioxane",CC1(C)COCOC1,CC1(C)COCOC1,"InChI=1/C6H12O2/c1-6(2)3-7-5-8-4-6/h3-5H2,1-2H3",C6H12O2,,,,,,QDCJIPFNVBDLRH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.671,212-838-6,873-40-5,Trichloropyrazine,"2,3,5-trichloropyrazine",Clc1cnc(Cl)c(Cl)n1,Clc1cnc(Cl)c(Cl)n1,InChI=1/C4HCl3N2/c5-2-1-8-3(6)4(7)9-2/h1H,C4HCl3N2,,,,,,VDCVWLBXEWOGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.538,213-791-4,1012-91-5,"1-(2,6-xylyl)piperazine","1-(2,6-dimethylphenyl)piperazine",Cc1cccc(C)c1N2CCNCC2,Cc1cccc(C)c1N2CCNCC2,"InChI=1/C12H18N2/c1-10-4-3-5-11(2)12(10)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3",C12H18N2,,,,,,JDVUSTNITSGJOH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.543,213-797-7,1013-76-9,"1-(2,4-xylyl)piperazine","1-(2,4-dimethylphenyl)piperazine",Cc1ccc(N2CCNCC2)c(C)c1,Cc1ccc(N2CCNCC2)c(C)c1,"InChI=1/C12H18N2/c1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3",C12H18N2,,,,,,RUIMBVCRNZHCRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.552,213-806-4,1016-58-6,6-nitroveratryl alcohol,"(4,5-dimethoxy-2-nitrophenyl)methanol",COc1cc(CO)c(cc1OC)[N+](=O)[O-],COc1cc(CO)c(cc1OC)[N+](=O)[O-],"InChI=1/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H3",C9H11NO5,,,,,,WBSCOJBVYHQOFB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.555,213-810-6,1017-56-7,"1,3,5-triazine-2,4,6-triyltriiminotrimethanol","(1,3,5-triazine-2,4,6-triyltriimino)trimethanol",OCNc1nc(NCO)nc(NCO)n1,OCNc1nc(NCO)nc(NCO)n1,"InChI=1/C6H12N6O3/c13-1-7-4-10-5(8-2-14)12-6(11-4)9-3-15/h13-15H,1-3H2,(H3,7,8,9,10,11,12)",C6H12N6O3,,,,,,USDJGQLNFPZEON-UHFFFAOYSA-N,,,,,,,,,,,
100.012.562,213-817-4,1020-84-4,"2,2,4,4,6,6,8,8-octamethylcyclotetrasilazane","2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetrazatetrasilocane",C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N[Si](C)(C)N1,C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N[Si](C)(C)N1,"InChI=1/C8H28N4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h9-12H,1-8H3",C8H28N4Si4,,,,,,FIADVASZMLCQIF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.563,213-819-5,1021-25-6,"1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one","1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",O=C1NCN(c2ccccc2)C13CCNCC3,O=C1NCN(c2ccccc2)C13CCNCC3,"InChI=1/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)",C13H17N3O,,,,,,HTQWGIHCFPWKAS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.566,213-822-1,1022-13-5,5-chloro-2-(methylamino)benzophenone,[5-chloro-2-(methylamino)phenyl](phenyl)methanone,CNc1ccc(Cl)cc1C(=O)c2ccccc2,CNc1ccc(Cl)cc1C(=O)c2ccccc2,"InChI=1/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3",C14H12ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17879,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.566,WPNMLCMTDCANOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.567,213-823-7,1022-22-6,"1,1'-(chlorovinylidene)bis[4-chlorobenzene]","1,1'-(2-chloroethene-1,1-diyl)bis(4-chlorobenzene)",ClC=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,ClC=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,InChI=1/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H,C14H9Cl3,,,,,,LNKQQZFLNUVWQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.568,213-824-2,1022-79-3,5-bromo-2'-deoxycytidine,5-bromo-2'-deoxycytidine,NC1=NC(=O)N(C=C1Br)[C@H]2C[C@H](O)[C@@H](CO)O2,NC1=NC(=O)N(C=C1Br)[C@H]2C[C@H](O)[C@@H](CO)O2,"InChI=1/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)",C9H12BrN3O4,,,,,,KISUPFXQEHWGAR-RRKCRQDMSA-N,,,,,,,,,,,
100.012.571,213-827-9,1023-94-5,"1,1-diphenylbutane-1,4-diol","1,1-diphenylbutane-1,4-diol",OCCCC(O)(c1ccccc1)c2ccccc2,OCCCC(O)(c1ccccc1)c2ccccc2,"InChI=1/C16H18O2/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2",C16H18O2,,,,,,FMSXBGXFTZSEAU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.573,213-830-5,1024-16-4,1-benzyl-4-(ethylamino)piperidine-4-carbonitrile,1-benzyl-4-(ethylamino)piperidine-4-carbonitrile,CCNC1(CCN(Cc2ccccc2)CC1)C#N,CCNC1(CCN(Cc2ccccc2)CC1)C#N,"InChI=1/C15H21N3/c1-2-17-15(13-16)8-10-18(11-9-15)12-14-6-4-3-5-7-14/h3-7,17H,2,8-12H2,1H3",C15H21N3,,,,,,NPYMJCBIPUSGQF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.368,211-403-8,643-84-5,"3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride","3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium chloride",[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O)c3cc2O,[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O)c3cc2O,"InChI=1/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H",C17H15O7.Cl,,,,,,DBEKHVSHJQTGOT-UHFFFAOYSA-M,,,,,,,,,,,
100.010.370,211-405-9,643-94-7,o-phenylene dibenzoate,"1,2-phenylene dibenzoate",O=C(Oc1ccccc1OC(=O)c2ccccc2)c3ccccc3,O=C(Oc1ccccc1OC(=O)c2ccccc2)c3ccccc3,InChI=1/C20H14O4/c21-19(15-9-3-1-4-10-15)23-17-13-7-8-14-18(17)24-20(22)16-11-5-2-6-12-16/h1-14H,C20H14O4,,,,,,LVTPRIAGCBEGPW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.371,211-406-4,644-00-8,"8,13-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid","3-(8,13-diethyl-3,7,12,17-tetramethylporphin-2-yl)propanoic acid",CCC1=C(C)C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)CC)C(=C4CCC(=O)O)C)C=C3C,CCC1=C(C)C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)CC)C(=C4CCC(=O)O)C)C=C3C,"InChI=1/C31H32N4O2/c1-7-21-18(5)27-15-30-22(8-2)17(4)25(34-30)14-26-19(6)23(9-10-31(36)37)28(33-26)12-20-11-16(3)24(32-20)13-29(21)35-27/h11-15H,7-10H2,1-6H3,(H,36,37)",C31H34N4O2,,,,,,NSXVDZURLRNNNB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.375,211-411-1,644-26-8,1-[(dimethylamino)methyl]-1-methylpropyl benzoate,1-[(dimethylamino)methyl]-1-methylpropyl benzoate,CCC(C)(CN(C)C)OC(=O)c1ccccc1,CCC(C)(CN(C)C)OC(=O)c1ccccc1,"InChI=1/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3",C14H21NO2,,,,,,FDMBBCOBEAVDAO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.376,211-412-7,644-31-5,Acetyl benzoyl peroxide,methyl(phenyl)peroxyanhydride,CC(=O)OOC(=O)c1ccccc1,CC(=O)OOC(=O)c1ccccc1,"InChI=1/C9H8O4/c1-7(10)12-13-9(11)8-5-3-2-4-6-8/h2-6H,1H3",C9H8O4,,,,,,PDAVOLCVHOKLEO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.377,211-413-2,644-32-6,Dibenzoyl disulphide,diphenyldithioperoxyanhydride,O=C(SSC(=O)c1ccccc1)c2ccccc2,O=C(SSC(=O)c1ccccc1)c2ccccc2,InChI=1/C14H10O2S2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,C14H10O2S2,,,,,,YYWLHHUMIIIZDH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.111,212-222-7,770-35-4,1-phenoxypropan-2-ol,1-phenoxypropan-2-ol,CC(O)COc1ccccc1,CC(O)COc1ccccc1,"InChI=1/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",C9H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14251,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.111,IBLKWZIFZMJLFL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.114,212-225-3,770-71-8,"Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol",adamantan-1-ylmethanol,OCC12CC3CC(CC(C3)C1)C2,OCC12CC3CC(CC(C3)C1)C2,"InChI=1/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2",C11H18O,,,,,,MDVGOOIANLZFCP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.115,212-226-9,770-95-6,"Trichloro(2-chloro-2,3,3-trifluorocyclobutyl)silane","trichloro(2-chloro-2,3,3-trifluorocyclobutyl)silane",FC1(F)CC(C1(F)Cl)[Si](Cl)(Cl)Cl,FC1(F)CC(C1(F)Cl)[Si](Cl)(Cl)Cl,"InChI=1/C4H3Cl4F3Si/c5-4(11)2(12(6,7)8)1-3(4,9)10/h2H,1H2",C4H3Cl4F3Si,,,,,,VDQCXADBEMNEGF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.122,212-234-2,771-60-8,"2,3,4,5,6-pentafluoroaniline",pentafluoroaniline,Nc1c(F)c(F)c(F)c(F)c1F,Nc1c(F)c(F)c(F)c(F)c1F,InChI=1/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2,C6H2F5N,,,,,,NOXLGCOSAFGMDV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.125,212-237-9,771-63-1,"2,3,5,6-tetrafluorohydroquinone","2,3,5,6-tetrafluorobenzene-1,4-diol",Oc1c(F)c(F)c(O)c(F)c1F,Oc1c(F)c(F)c(O)c(F)c1F,InChI=1/C6H2F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H,C6H2F4O2,,,,,,ZSDAMBJDFDRLSS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.130,212-243-1,771-99-3,4-phenylpiperidine,4-phenylpiperidine,C1CC(CCN1)c2ccccc2,C1CC(CCN1)c2ccccc2,"InChI=1/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2",C11H15N,,,,,,UTBULQCHEUWJNV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.134,212-247-3,772-31-6,Cyclopropyl 4-fluorophenyl ketone,cyclopropyl(4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)C2CC2,Fc1ccc(cc1)C(=O)C2CC2,"InChI=1/C10H9FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2",C10H9FO,,,,,,MHKHJIJXMVHRAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.147,212-262-5,774-18-5,o-(trifluoromethyl)phenethylamine,2-[2-(trifluoromethyl)phenyl]ethanamine,NCCc1ccccc1C(F)(F)F,NCCc1ccccc1C(F)(F)F,"InChI=1/C9H10F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5-6,13H2",C9H10F3N,,,,,,LIERORLYMWHXDL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.148,212-263-0,774-40-3,Ethyl mandelate,ethyl hydroxy(phenyl)acetate,CCOC(=O)C(O)c1ccccc1,CCOC(=O)C(O)c1ccccc1,"InChI=1/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3",C10H12O3,,,,,,SAXHIDRUJXPDOD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.149,212-264-6,774-44-7,"4-methyl-2-phenyl-1,3-dioxane","4-methyl-2-phenyl-1,3-dioxane",CC1CCOC(O1)c2ccccc2,CC1CCOC(O1)c2ccccc2,"InChI=1/C11H14O2/c1-9-7-8-12-11(13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3",C11H14O2,,,,,,NJDSRMVYAFOBIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.150,212-265-1,774-48-1,"a,a-diethoxytoluene",(diethoxymethyl)benzene,CCOC(OCC)c1ccccc1,CCOC(OCC)c1ccccc1,"InChI=1/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3",C11H16O2,,,,,,MAQMEXSLUSZDQM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.151,212-266-7,774-55-0,"1-(5,6,7,8-tetrahydro-2-naphthyl)ethan-1-one","1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone",CC(=O)c1ccc2CCCCc2c1,CC(=O)c1ccc2CCCCc2c1,"InChI=1/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3",C12H14O,,,,,,VEPUKHYQNXSSKV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.635,212-797-4,870-62-2,Hexamethonium iodide,"N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium diiodide",[I-].[I-].C[N+](C)(C)CCCCCC[N+](C)(C)C,[I-].[I-].C[N+](C)(C)CCCCCC[N+](C)(C)C,"InChI=1/C12H30N2.2HI/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",C12H30N2.2I,,,,,,LZYYNZUWBANDMX-UHFFFAOYSA-L,,,,,,,,,,,
100.011.637,212-800-9,870-72-4,Sodium hydroxymethanesulphonate,sodium hydroxymethanesulfonate,[Na+].OCS(=O)(=O)[O-],[Na+].OCS(=O)(=O)[O-],"InChI=1/CH4O4S.Na/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1",CH4O4S.Na,,,,,,UOULCEYHQNCFFH-UHFFFAOYSA-M,,,,,,,,,,,
100.011.641,212-805-6,871-27-2,Diethylhydridoaluminium,diethylaluminum(1+),CC[AlH]CC,CC[AlH]CC,"InChI=1/2C2H5.Al.H/c2*1-2;;/h2*1H2,2H3;;/q;;+1;/rC4H11Al/c1-3-5-4-2/h5H,3-4H2,1-2H3/q+1",C4H11Al,,,,,,HJXBDPDUCXORKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.643,212-807-7,871-41-0,Trichloroheptylsilane,trichloro(heptyl)silane,CCCCCCC[Si](Cl)(Cl)Cl,CCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C7H15Cl3Si/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3",C7H15Cl3Si,,,,,,SRQHGWJPIZXDTA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.644,212-808-2,871-58-9,Potassium O-butyl dithiocarbonate,potassium O-butyl dithiocarbonate,[K+].CCCCOC(=S)[S-],[K+].CCCCOC(=S)[S-],"InChI=1/C5H10OS2.K/c1-2-3-4-6-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1",C5H10OS2.K,,,,,,OMKVZYFAGQKILB-UHFFFAOYSA-M,,,,,,,,,,,
100.011.645,212-809-8,871-62-5,3-(amidinothio)propionic acid hydrochloride,3-(carbamimidoylsulfanyl)propanoic acid hydrochloride,Cl.NC(=N)SCCC(=O)O,Cl.NC(=N)SCCC(=O)O,"InChI=1/C4H8N2O2S.ClH/c5-4(6)9-2-1-3(7)8;/h1-2H2,(H3,5,6)(H,7,8);1H",C4H8N2O2S.ClH,,,,,,SPLVTQKVMVVJPT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.646,212-810-3,871-76-1,"2,2'-thiobis(ethylamine)","2,2'-sulfanediyldiethanamine",NCCSCCN,NCCSCCN,InChI=1/C4H12N2S/c5-1-3-7-4-2-6/h1-6H2,C4H12N2S,,,,,,JONTXEXBTWSUKE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.648,212-812-4,871-79-4,N-(2-aminoethyl)stearamide,N-(2-aminoethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN,CCCCCCCCCCCCCCCCCC(=O)NCCN,"InChI=1/C20H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21/h2-19,21H2,1H3,(H,22,23)",C20H42N2O,,,,,,FZEIBCVEQZOUQH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.650,212-815-0,871-84-1,"Octa-1,7-diyne","octa-1,7-diyne",C#CCCCCC#C,C#CCCCCC#C,"InChI=1/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2",C8H10,,,,,,DSOJWVLXZNRKCS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.655,212-820-8,872-10-6,Dipentyl sulphide,"1,1'-sulfanediyldipentane",CCCCCSCCCCC,CCCCCSCCCCC,"InChI=1/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3",C10H22S,,,,,,JOZDADPMWLVEJK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.657,212-822-9,872-32-2,"3,4-dihydro-5-methyl-2H-pyrrole","5-methyl-3,4-dihydro-2H-pyrrole",CC1=NCCC1,CC1=NCCC1,"InChI=1/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3",C5H9N,,,,,,CTSZPNIMMLSKDV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.662,212-828-1,872-50-4,1-methyl-2-pyrrolidone,1-methylpyrrolidin-2-one,CN1CCCC1=O,CN1CCCC1=O,"InChI=1/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",C5H9NO,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15493,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.662,SECXISVLQFMRJM-UHFFFAOYSA-N,Positive,SM869701,[M+H]+,HCD35,100.0755:58.0288:69.0335,CASMI_2016,,,,,
100.011.666,212-832-3,872-85-5,Isonicotinaldehyde,isonicotinaldehyde,O=Cc1ccncc1,O=Cc1ccncc1,InChI=1/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H,C6H5NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10172,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.666,BGUWFUQJCDRPTL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.667,212-833-9,872-93-5,"3-methyltetrahydrothiophene 1,1-dioxide","3-methyltetrahydrothiophene 1,1-dioxide",CC1CCS(=O)(=O)C1,CC1CCS(=O)(=O)C1,"InChI=1/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3",C5H10O2S,,,,,,CMJLMPKFQPJDKP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.669,212-836-5,873-32-5,2-chlorobenzonitrile,2-chlorobenzonitrile,Clc1ccccc1C#N,Clc1ccccc1C#N,InChI=1/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,C7H4ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13245,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.669,NHWQMJMIYICNBP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.670,212-837-0,873-38-1,2-bromo-4-chloroaniline,2-bromo-4-chloroaniline,Nc1ccc(Cl)cc1Br,Nc1ccc(Cl)cc1Br,"InChI=1/C6H5BrClN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2",C6H5BrClN,,,,,,SYTBIFURTZACKR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.539,213-793-5,1013-20-3,Ammonium (N-hydroxynaphthylamino)oxoamide,1-hydroxy-1-(1-naphthyl)-2-oxohydrazine,ON(N=O)c1cccc2ccccc12,ON(N=O)c1cccc2ccccc12,"InChI=1/C10H8N2O2/c13-11-12(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H",C10H8N2O2.H3N,,,,,,IAFPDMZRLPCYAB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.541,213-795-6,1013-25-8,"1-(2,5-xylyl)piperazine","1-(2,5-dimethylphenyl)piperazine",Cc1ccc(C)c(c1)N2CCNCC2,Cc1ccc(C)c(c1)N2CCNCC2,"InChI=1/C12H18N2/c1-10-3-4-11(2)12(9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3",C12H18N2,,,,,,YRIFWVMRUFKWLM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.545,213-799-8,1014-66-0,Trimethyl(4-nitrophenoxy)silane,trimethyl(4-nitrophenoxy)silane,C[Si](C)(C)Oc1ccc(cc1)[N+](=O)[O-],C[Si](C)(C)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H13NO3Si/c1-14(2,3)13-9-6-4-8(5-7-9)10(11)12/h4-7H,1-3H3",C9H13NO3Si,,,,,,OJKNCYVKEUNYAX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.546,213-800-1,1014-69-3,Desmetryn,"N-isopropyl-N'-methyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CNc1nc(NC(C)C)nc(SC)n1,CNc1nc(NC(C)C)nc(SC)n1,"InChI=1/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)",C8H15N5S,,,,,,HCRWJJJUKUVORR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.158,207-872-3,498-94-2,4-piperidinecarboxylic acid,piperidine-4-carboxylic acid,OC(=O)C1CCNCC1,OC(=O)C1CCNCC1,"InChI=1/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)",C6H11NO2,,,,,,SRJOCJYGOFTFLH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.159,207-873-9,498-95-3,Piperidine-3-carboxylic acid,piperidine-3-carboxylic acid,OC(=O)C1CCCNC1,OC(=O)C1CCCNC1,"InChI=1/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)",C6H11NO2,,,,,,XJLSEXAGTJCILF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.170,207-885-4,499-69-4,"(1a,2ß,5a)-5-(isopropyl)-2-methylcyclohexan-1-ol",5-isopropyl-2-methylcyclohexanol,CC(C)[C@H]1CC[C@H](C)[C@@H](O)C1,CC(C)[C@H]1CC[C@H](C)[C@@H](O)C1,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,ULJXKUJMXIVDOY-GUBZILKMSA-N,,,,,,,,,,,
100.007.183,207-900-4,500-22-1,Nicotinaldehyde,nicotinaldehyde,O=Cc1cccnc1,O=Cc1cccnc1,InChI=1/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H,C6H5NO,,,,,,QJZUKDFHGGYHMC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.184,207-902-5,500-28-7,"O-(3-chloro-4-nitrophenyl) O,O-dimethyl thiophosphate","O-(3-chloro-4-nitrophenyl) O,O-dimethyl thiophosphate",COP(=S)(OC)Oc1ccc(c(Cl)c1)[N+](=O)[O-],COP(=S)(OC)Oc1ccc(c(Cl)c1)[N+](=O)[O-],"InChI=1/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3",C8H9ClNO5PS,,,,,,NZNRRXXETLSZRO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.191,207-909-3,500-67-4,5-heptylresorcinol,"5-heptylbenzene-1,3-diol",CCCCCCCc1cc(O)cc(O)c1,CCCCCCCc1cc(O)cc(O)c1,"InChI=1/C13H20O2/c1-2-3-4-5-6-7-11-8-12(14)10-13(15)9-11/h8-10,14-15H,2-7H2,1H3",C13H20O2,,,,,,QENPJKGENOZEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.192,207-910-9,500-72-1,Oxanilic acid,anilino(oxo)acetic acid,OC(=O)C(=O)Nc1ccccc1,OC(=O)C(=O)Nc1ccccc1,"InChI=1/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)",C8H7NO3,,,,,,PQJZHMCWDKOPQG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.699,209-567-0,585-88-6,4-O-a-D-glucopyranosyl-D-glucitol,4-O-alpha-D-glucopyranosyl-D-glucitol,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,"InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2",C12H24O11,,,,,,VQHSOMBJVWLPSR-WUJBLJFYSA-N,,,,,,,,,,,
100.008.706,209-574-9,586-38-9,m-anisic acid,3-methoxybenzoic acid,COc1cccc(c1)C(=O)O,COc1cccc(c1)C(=O)O,"InChI=1/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O3,,,,,,XHQZJYCNDZAGLW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.710,209-579-6,586-63-0,3-methyl-6-(1-methylethylidene)cyclohexene,3-isopropylidene-6-methylcyclohexene,CC1CCC(=C(C)C)C=C1,CC1CCC(=C(C)C)C=C1,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3",C10H16,,,,,,CIPXOBMYVWRNLL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.712,209-581-7,586-76-5,4-bromobenzoic acid,4-bromobenzoic acid,OC(=O)c1ccc(Br)cc1,OC(=O)c1ccc(Br)cc1,"InChI=1/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",C7H5BrO2,,,,,,TUXYZHVUPGXXQG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.719,209-589-0,586-91-4,"4,4'-azobisbenzoic acid","4,4'-diazene-1,2-diyldibenzoic acid",OC(=O)c2ccc(N=Nc1ccc(cc1)C(O)=O)cc2,OC(=O)c2ccc(N=Nc1ccc(cc1)C(O)=O)cc2,"InChI=1/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)",C14H10N2O4,,,,,,NWHZQELJCLSKNV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.720,209-590-6,586-95-8,4-pyridylmethanol,pyridin-4-ylmethanol,OCc1ccncc1,OCc1ccncc1,"InChI=1/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2",C6H7NO,,,,,,PTMBWNZJOQBTBK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.722,209-592-7,586-98-1,2-pyridylmethanol,pyridin-2-ylmethanol,OCc1ccccn1,OCc1ccccn1,"InChI=1/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2",C6H7NO,,,,,,SHNUBALDGXWUJI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.724,209-594-8,587-02-0,3-ethylaniline,3-ethylaniline,CCc1cccc(N)c1,CCc1cccc(N)c1,"InChI=1/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3",C8H11N,,,,,,AMKPQMFZCBTTAT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.725,209-595-3,587-03-1,3-methylbenzyl alcohol,(3-methylphenyl)methanol,Cc1cccc(CO)c1,Cc1cccc(CO)c1,"InChI=1/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3",C8H10O,,,,,,JJCKHVUTVOPLBV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.733,209-605-6,587-84-8,Diphenylammonium hydrogen sulphate,N-phenylanilinium hydrogen sulfate,[O-]S(=O)(=O)[O-].[NH2+](c1ccccc1)c2ccccc2,[O-]S(=O)(=O)[O-].[NH2+](c1ccccc1)c2ccccc2,"InChI=1/C12H11N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H;(H2,1,2,3,4)/p-1",C12H11N.H2O4S,,,,,,IPZMDJYHJNHGML-UHFFFAOYSA-M,,,,,,,,,,,
100.008.739,209-611-9,588-16-9,3'-methoxyacetanilide,N-(3-methoxyphenyl)acetamide,COc1cccc(NC(=O)C)c1,COc1cccc(NC(=O)C)c1,"InChI=1/C9H11NO2/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)",C9H11NO2,,,,,,OIEFZHJNURGFFI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.864,208-648-8,536-80-1,Iodosylbenzene,phenyliodane oxide,O=Ic1ccccc1,O=Ic1ccccc1,InChI=1/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H,C6H5IO,,,,,,JYJVVHFRSFVEJM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.581,213-838-9,1027-62-9,Bis(dimethylamino)diphenylsilane,"N,N,N',N'-tetramethyl-1,1-diphenylsilanediamine",CN(C)[Si](N(C)C)(c1ccccc1)c2ccccc2,CN(C)[Si](N(C)C)(c1ccccc1)c2ccccc2,"InChI=1/C16H22N2Si/c1-17(2)19(18(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3",C16H22N2Si,,,,,,FTURFVPIEOKJBC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.365,213-602-5,993-02-2,Manganese(3+) acetate,manganese(3+) triacetate,[Mn+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Mn+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Mn/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Mn,,,,,,AHSBSUVHXDIAEY-UHFFFAOYSA-K,,,,,,,,,,,
100.012.379,213-617-7,994-32-1,Triethyltin hydroxide,triethylstannanylium hydroxide,[OH-].CC[Sn+](CC)CC,[OH-].CC[Sn+](CC)CC,"InChI=1/3C2H5.H2O.Sn/c3*1-2;;/h3*1H2,2H3;1H2;/q;;;;+1/p-1/rC6H15Sn.H2O/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H2/q+1;/p-1",C6H16OSn,,,,,,NOTHDSKXLBUIMB-UHFFFAOYSA-M,,,,,,,,,,,
100.012.384,213-622-4,995-14-2,Diethyl [(diethylamino)methyl]phosphonate,diethyl [(diethylamino)methyl]phosphonate,CCOP(=O)(CN(CC)CC)OCC,CCOP(=O)(CN(CC)CC)OCC,"InChI=1/C9H22NO3P/c1-5-10(6-2)9-14(11,12-7-3)13-8-4/h5-9H2,1-4H3",C9H22NO3P,,,,,,GMMMKWMWVWJBNW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.395,213-635-5,996-35-0,"N,N-dimethylisopropylamine","N,N-dimethylpropan-2-amine",CC(C)N(C)C,CC(C)N(C)C,"InChI=1/C5H13N/c1-5(2)6(3)4/h5H,1-4H3",C5H13N,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13880,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.395,VMOWKUTXPNPTEN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.398,213-638-1,996-70-3,"N,N',N'',N'''-tetramethylethylenediylidenetetraamine","N~1~,N~1~,N~2~,N~2~-tetramethylethene-1,1,2,2-tetramine",CNC(=C(NC)NC)NC,CNC(=C(NC)NC)NC,"InChI=1/C6H16N4/c1-7-5(8-2)6(9-3)10-4/h7-10H,1-4H3",C10H24N4,,,,,,BXGHYJCCLDLIHM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.401,213-641-8,997-43-3,Potassium hydrogen 2-oxoglutarate,hydrogen potassium 2-oxopentanedioate,[K+].[O-]C(=O)CCC(=O)C(=O)[O-],[K+].[O-]C(=O)CCC(=O)C(=O)[O-],"InChI=1/C5H6O5.K/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+1/p-2",C5H6O5.K,,,,,,XTCZBVVKDHLWKU-UHFFFAOYSA-L,,,,,,,,,,,
100.012.409,213-650-7,998-30-1,Triethoxysilane,triethoxysilane,CCO[SiH](OCC)OCC,CCO[SiH](OCC)OCC,"InChI=1/C6H16O3Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-6H2,1-3H3",C6H16O3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5339,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.409,QQQSFSZALRVCSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.971,212-068-0,759-36-4,Diethyl isopropylmalonate,diethyl isopropylmalonate,CCOC(=O)C(C(C)C)C(=O)OCC,CCOC(=O)C(C(C)C)C(=O)OCC,"InChI=1/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3",C10H18O4,,,,,,BYQFBFWERHXONI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.975,212-072-2,759-73-9,N-ethyl-N-nitrosourea,1-ethyl-1-nitrosourea,CCN(N=O)C(=O)N,CCN(N=O)C(=O)N,"InChI=1/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)",C3H7N3O2,,,,,,FUSGACRLAFQQRL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.980,212-078-5,760-21-4,2-ethylbut-1-ene,3-methylenepentane,CCC(=C)CC,CCC(=C)CC,"InChI=1/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3",C6H12,,,,,,RYKZRKKEYSRDNF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.985,212-083-2,760-84-9,L-leucine hydrochloride,L-leucine hydrochloride,Cl.CC(C)C[C@H](N)C(=O)O,Cl.CC(C)C[C@H](N)C(=O)O,"InChI=1/C6H13NO2.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H",C6H13NO2.ClH,,,,,,XKZZNHPZEPVUQK-JEDNCBNOSA-N,,,,,,,,,,,
100.010.989,212-087-4,761-02-4,Triethylammonium sulphamate,"N,N-diethylethanaminium sulfamate",CC[NH+](CC)CC.NS(=O)(=O)[O-],CC[NH+](CC)CC.NS(=O)(=O)[O-],"InChI=1/C6H15N.H3NO3S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H3,1,2,3,4)",C6H15N.H3NO3S,,,,,,DQMFXGQHSPWNOA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.992,212-091-6,762-04-9,Diethyl phosphonate,diethyl phosphonate,CCOP(=O)OCC,CCOP(=O)OCC,"InChI=1/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3",C4H11O3P,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7187,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.992,MJUJXFBTEFXVKU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.994,212-093-7,762-13-0,Bis(1-oxononyl) peroxide,dioctylperoxyanhydride,CCCCCCCCC(=O)OOC(=O)CCCCCCCC,CCCCCCCCC(=O)OOC(=O)CCCCCCCC,"InChI=1/C18H34O4/c1-3-5-7-9-11-13-15-17(19)21-22-18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C18H34O4,,,,,,FEZFGASTIQVZSC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.674,212-841-2,873-54-1,Lead dibenzoate,-,[Pb+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1,[Pb+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1,"InChI=1/2C7H6O2.Pb.2H/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;;/q;;+4;;/p-2/r2C7H6O2.H2Pb/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);1H2/q;;+4/p-2",C7H6O2.1/2Pb,,,,,,HEYYNPBHZQPMJJ-UHFFFAOYSA-L,,,,,,,,,,,
100.011.679,212-847-5,873-63-2,3-chlorobenzyl alcohol,(3-chlorophenyl)methanol,OCc1cccc(Cl)c1,OCc1cccc(Cl)c1,"InChI=1/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2",C7H7ClO,,,,,,ZSRDNPVYGSFUMD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.682,212-850-1,873-74-5,4-aminobenzonitrile,4-aminobenzonitrile,Nc1ccc(cc1)C#N,Nc1ccc(cc1)C#N,"InChI=1/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2",C7H6N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17688,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.682,YBAZINRZQSAIAY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.683,212-851-7,873-75-6,4-bromobenzyl alcohol,(4-bromophenyl)methanol,OCc1ccc(Br)cc1,OCc1ccc(Br)cc1,"InChI=1/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",C7H7BrO,,,,,,VEDDBHYQWFOITD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.684,212-852-2,873-76-7,4-chlorobenzylic alcohol,(4-chlorophenyl)methanol,OCc1ccc(Cl)cc1,OCc1ccc(Cl)cc1,"InChI=1/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",C7H7ClO,,,,,,PTHGDVCPCZKZKR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.155,212-270-9,775-06-4,3-(m-hydroxyphenyl)-DL-alanine,3-hydroxy-L-phenylalanine,Oc1cc(C[C@H](N)C(O)=O)ccc1,Oc1cc(C[C@H](N)C(O)=O)ccc1,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)",C9H11NO3,,,,,,JZKXXXDKRQWDET-QMMMGPOBSA-N,,,,,,,,,,,
100.011.157,212-273-5,775-15-5,1-(benzyl)pyrrolidin-3-ol,1-benzylpyrrolidin-3-ol,OC1CCN(Cc2ccccc2)C1,OC1CCN(Cc2ccccc2)C1,"InChI=1/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2",C11H15NO,,,,,,YQMXOIAIYXXXEE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.955,213-149-3,927-20-8,Magnesium glycerophosphate,"magnesium 2,3-dihydroxypropyl phosphate",[Mg+2].OCC(O)COP(=O)([O-])[O-],[Mg+2].OCC(O)COP(=O)([O-])[O-],"InChI=1/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.Mg,,,,,,BHJKUVVFSKEBEX-UHFFFAOYSA-L,,,,,,,,,,,
100.011.957,213-151-4,927-55-9,4-aminopentan-1-ol,4-aminopentan-1-ol,CC(N)CCCO,CC(N)CCCO,"InChI=1/C5H13NO/c1-5(6)3-2-4-7/h5,7H,2-4,6H2,1H3",C5H13NO,,,,,,JAXJUENAJXWFBX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.958,213-153-5,927-57-1,"Pent-2-yne-1,4-diol","pent-2-yne-1,4-diol",CC(O)C#CCO,CC(O)C#CCO,"InChI=1/C5H8O2/c1-5(7)3-2-4-6/h5-7H,4H2,1H3",C5H8O2,,,,,,WYMDIPTZPQAKJW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.962,213-157-7,927-63-9,3-(dimethylamino)acrylaldehyde,3-(dimethylamino)acrylaldehyde,CN(C)\\C=C\\C=O,CN(C)\C=C\C=O,"InChI=1/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3",C5H9NO,,,,,,RRLMPLDPCKRASL-ONEGZZNKSA-N,,,,,,,,,,,
100.011.963,213-158-2,927-67-3,Propyl-2-thiourea,1-propylthiourea,CCCNC(=S)N,CCCNC(=S)N,"InChI=1/C4H10N2S/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)",C4H10N2S,,,,,,UHGKYJXJYJWDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.964,213-159-8,927-68-4,2-bromoethyl acetate,2-bromoethyl acetate,CC(=O)OCCBr,CC(=O)OCCBr,"InChI=1/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3",C4H7BrO2,,,,,,RGHQKFQZGLKBCF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.965,213-160-3,927-73-1,4-chlorobut-1-ene,4-chlorobut-1-ene,ClCCC=C,ClCCC=C,"InChI=1/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2",C4H7Cl,,,,,,WKEVRZCQFQDCIR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.969,213-165-0,927-84-4,Bis(trifluoromethyl) peroxide,bis(trifluoromethyl) peroxide,FC(F)(F)OOC(F)(F)F,FC(F)(F)OOC(F)(F)F,"InChI=1/C2F6O2/c3-1(4,5)9-10-2(6,7)8",C2F6O2,,,,,,BPXRXDJNYFWRDI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.972,213-168-7,928-01-8,Maleamide,but-2-enediamide,NC(=O)\\C=C/C(=O)N,NC(=O)\C=C/C(=O)N,"InChI=1/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)",C4H6N2O2,,,,,,BSSNZUFKXJJCBG-UPHRSURJSA-N,,,,,,,,,,,
100.011.977,213-173-4,928-49-4,Hex-3-yne,hex-3-yne,CCC#CCC,CCC#CCC,"InChI=1/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3",C6H10,,,,,,DQQNMIPXXNPGCV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.987,213-184-4,928-88-1,"4,4'-oxydibutyl diacetate","oxydibutane-4,1-diyl diacetate",CC(=O)OCCCCOCCCCOC(=O)C,CC(=O)OCCCCOCCCCOC(=O)C,"InChI=1/C12H22O5/c1-11(13)16-9-5-3-7-15-8-4-6-10-17-12(2)14/h3-10H2,1-2H3",C12H22O5,,,,,,BEGLYILTWSHMBV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.989,213-187-0,928-91-6,(Z)-hex-4-en-1-ol,hex-4-en-1-ol,C\\C=C/CCCO,C\C=C/CCCO,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3",C6H12O,,,,,,VTIODUHBZHNXFP-IHWYPQMZSA-N,,,,,,,,,,,
100.011.990,213-188-6,928-92-7,(E)-hex-4-en-1-ol,hex-4-en-1-ol,C\\C=C\\CCCO,C\C=C\CCCO,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3",C6H12O,,,,,,VTIODUHBZHNXFP-NSCUHMNNSA-N,,,,,,,,,,,
100.011.994,213-192-8,928-96-1,cis-hex-3-en-1-ol,hex-3-en-1-ol,CC\\C=C/CCO,CC\C=C/CCO,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3",C6H12O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12217,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.994,UFLHIIWVXFIJGU-ARJAWSKDSA-N,,,,,,,,,,,
100.011.998,213-197-5,929-17-9,7-aminoheptanoic acid,7-aminoheptanoic acid,NCCCCCCC(=O)O,NCCCCCCC(=O)O,"InChI=1/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)",C7H15NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18997,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.998,XDOLZJYETYVRKV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.522,210-473-7,616-27-3,1-chlorobutan-2-one,1-chlorobutan-2-one,CCC(=O)CCl,CCC(=O)CCl,"InChI=1/C4H7ClO/c1-2-4(6)3-5/h2-3H2,1H3",C4H7ClO,,,,,,AALRHBLMAVGWRR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.526,210-477-9,616-34-2,Methyl glycinate,methyl glycinate,COC(=O)CN,COC(=O)CN,"InChI=1/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3",C3H7NO2,,,,,,KQSSATDQUYCRGS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.533,210-485-2,616-55-7,"4,6-di-tert-butyl-o-cresol","2,4-di-tert-butyl-6-methylphenol",Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C,Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C,"InChI=1/C15H24O/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9,16H,1-7H3",C15H24O,,,,,,ZZZRZBIPCKQDQR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.538,210-491-5,616-75-1,Benzylmalonic acid,benzylmalonic acid,OC(=O)C(Cc1ccccc1)C(=O)O,OC(=O)C(Cc1ccccc1)C(=O)O,"InChI=1/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)",C10H10O4,,,,,,JAEJSNFTJMYIEF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.558,213-813-2,1019-45-0,"5-methoxy-N,N-dimethyl-1H-indole-3-ethylamine","2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine",COc1ccc2[nH]cc(CCN(C)C)c2c1,COc1ccc2[nH]cc(CCN(C)C)c2c1,"InChI=1/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3",C13H18N2O,,,,,,ZSTKHSQDNIGFLM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.570,213-826-3,1023-91-2,"1,3-dihydro-3,3-dimethyl-1-phenylisobenzofuran-1-ol","3,3-dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-ol",CC1(C)OC(O)(c2ccccc2)c3ccccc13,CC1(C)OC(O)(c2ccccc2)c3ccccc13,"InChI=1/C16H16O2/c1-15(2)13-10-6-7-11-14(13)16(17,18-15)12-8-4-3-5-9-12/h3-11,17H,1-2H3",C16H16O2,,,,,,XNIDDCSFMRIISS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.574,213-831-0,1024-57-3,Heptachlor epoxide,"2,3,4,5,6,7,7-heptachloro-1b,2,5,5a,6,6a-hexahydro-1aH-2,5-methanoindeno[1,2-b]oxirene",ClC1C2OC2C3C1C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl,ClC1C2OC2C3C1C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl,"InChI=1/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H",C10H5Cl7O,,,,,,ZXFXBSWRVIQKOD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.576,213-833-1,1024-99-3,5-iodouridine,5-iodouridine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(I)C(=O)NC2=O,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(I)C(=O)NC2=O,"InChI=1/C9H11IN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)",C9H11IN2O6,,,,,,RKSLVDIXBGWPIS-UAKXSSHOSA-N,,,,,,,,,,,
100.012.582,213-839-4,1027-91-4,1-benzyl-4-(ethylamino)piperidine-4-carboxamide,1-benzyl-4-(ethylamino)piperidine-4-carboxamide,CCNC1(CCN(Cc2ccccc2)CC1)C(=O)N,CCNC1(CCN(Cc2ccccc2)CC1)C(=O)N,"InChI=1/C15H23N3O/c1-2-17-15(14(16)19)8-10-18(11-9-15)12-13-6-4-3-5-7-13/h3-7,17H,2,8-12H2,1H3,(H2,16,19)",C15H23N3O,,,,,,LPPPBYXGXSHYQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.358,213-593-8,992-55-2,"4,4'-[[6-(octylthio)-1,3,5-triazine-2,4-diyl]bis(oxy)]bis[2,6-di-tert-butylphenol]","4,4'-{[6-(octylsulfanyl)-1,3,5-triazine-2,4-diyl]bis(oxy)}bis(2,6-di-tert-butylphenol)",CCCCCCCCSc1nc(Oc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nc(Oc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)n1,CCCCCCCCSc1nc(Oc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nc(Oc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)n1,"InChI=1/C39H59N3O4S/c1-14-15-16-17-18-19-20-47-35-41-33(45-25-21-27(36(2,3)4)31(43)28(22-25)37(5,6)7)40-34(42-35)46-26-23-29(38(8,9)10)32(44)30(24-26)39(11,12)13/h21-24,43-44H,14-20H2,1-13H3",C39H59N3O4S,,,,,,JMCKNCBUBGMWAY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.361,213-596-4,992-92-7,Titanium tetra(methanolate),titanium tetra(methanolate),[Ti+2].[Ti+2].C[O-].C[O-].C[O-].C[O-],[Ti+2].[Ti+2].C[O-].C[O-].C[O-].C[O-],InChI=1/4CH3O.2Ti/c4*1-2;;/h4*1H3;;/q4*-1;2*+2,CH4O.1/4Ti,,,,,,AAGPFDBDQNCGOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.362,213-598-5,992-94-9,Methylsilane,methylsilane,C[SiH3],C[SiH3],InChI=1/CH6Si/c1-2/h1-2H3,CH6Si,,,,,,UIUXUFNYAYAMOE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.364,213-600-4,993-00-0,Chloro(methyl)silane,chloro(methyl)silane,C[SiH2]Cl,C[SiH2]Cl,"InChI=1/CH5ClSi/c1-3-2/h3H2,1H3",CH5ClSi,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11109,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.364,YGZSVWMBUCGDCV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.368,213-605-1,993-11-3,Tetramethylphosphonium iodide,tetramethylphosphonium iodide,[I-].C[P+](C)(C)C,[I-].C[P+](C)(C)C,"InChI=1/C4H12P.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",C4H12P.I,,,,,,TVVPMLFGPYQGTG-UHFFFAOYSA-M,,,,,,,,,,,
100.012.369,213-606-7,993-12-4,Dimethylthiophosphinic chloride,dimethylphosphinothioic chloride,CP(=S)(C)Cl,CP(=S)(C)Cl,"InChI=1/C2H6ClPS/c1-4(2,3)5/h1-2H3",C2H6ClPS,,,,,,UGOLAPHJCTVIEW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.371,213-608-8,993-16-8,Trichloromethylstannane,(trichloromethyl)stannane,ClC(Cl)(Cl)[Sn],ClC(Cl)(Cl)[Sn],"InChI=1/CCl3.Sn/c2-1(3)4;/q;+3/rCCl3Sn/c2-1(3,4)5/q+3",CH3Cl3Sn,,,,,,BOEGBYDAWIJZGT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.374,213-611-4,994-05-8,2-methoxy-2-methylbutane,"1,1-dimethylpropyl methyl ether",CCC(C)(C)OC,CCC(C)(C)OC,"InChI=1/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3",C6H14O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14961,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.374,HVZJRWJGKQPSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.381,213-619-8,994-49-0,Hexaethyldisiloxane,hexaethyldisiloxane,CC[Si](CC)(CC)O[Si](CC)(CC)CC,CC[Si](CC)(CC)O[Si](CC)(CC)CC,"InChI=1/C12H30OSi2/c1-7-14(8-2,9-3)13-15(10-4,11-5)12-6/h7-12H2,1-6H3",C12H30OSi2,,,,,,WILBTFWIBAOWLN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.386,213-625-0,995-32-4,Tetraethyl ethylenebisphosphonate,"tetraethyl ethane-1,2-diylbis(phosphonate)",CCOP(=O)(CCP(=O)(OCC)OCC)OCC,CCOP(=O)(CCP(=O)(OCC)OCC)OCC,"InChI=1/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3",C10H24O6P2,,,,,,RSQYXXACEZCDFS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.387,213-626-6,995-33-5,"Butyl 4,4-bis(tert-butyldioxy)valerate","butyl 4,4-bis(tert-butylperoxy)pentanoate",CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C,CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1/C17H34O6/c1-9-10-13-19-14(18)11-12-17(8,22-20-15(2,3)4)23-21-16(5,6)7/h9-13H2,1-8H3",C17H34O6,,,,,,BXIQXYOPGBXIEM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.389,213-628-7,996-19-0,Di(carbazamidine) sulphate,hydrazinecarboximidamide sulfate (2:1),NNC(=N)N.NNC(=N)N.OS(=O)(=O)O,NNC(=N)N.NNC(=N)N.OS(=O)(=O)O,"InChI=1/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)",CH6N4.1/2H2O4S,,,,,,VKGQPUZNCZPZKI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.868,208-653-5,536-93-6,Eucatropine hydrochloride,"1,2,2,6-tetramethylpiperidin-4-yl hydroxy(phenyl)acetate hydrochloride",Cl.CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2,Cl.CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2,"InChI=1/C17H25NO3.ClH/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13;/h5-9,12,14-15,19H,10-11H2,1-4H3;1H",C17H25NO3.ClH,,,,,,VWENUKHWZBZSLW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.874,208-659-8,537-12-2,Diperodon hydrochloride,"3-piperidin-1-ylpropane-1,2-diyl bis(phenylcarbamate) hydrochloride",Cl.O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3,Cl.O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3,"InChI=1/C22H27N3O4.ClH/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27);1H",C22H27N3O4.ClH,,,,,,OWULVAZDMWJBLB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.875,208-660-3,537-21-3,Chlorproguanil,"N-(3,4-dichlorophenyl)-N'-isopropylimidodicarbonimidic diamide",CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1,"InChI=1/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)",C11H15Cl2N5,,,,,,ISZNZKHCRKXXAU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.885,208-671-3,537-55-3,N-acetyl-L-tyrosine,N-acetyl-L-tyrosine,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)",C11H13NO4,,,,,,CAHKINHBCWCHCF-JTQLQIEISA-N,,,,,,,,,,,
100.007.886,208-672-9,537-64-4,Di-p-tolylmercury,bis(4-methylphenyl)mercury,Cc1ccc([Hg]c2ccc(C)cc2)cc1,Cc1ccc([Hg]c2ccc(C)cc2)cc1,"InChI=1/2C7H7.Hg/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;/rC14H14Hg/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14Hg,,,,,,DYGWZUBGVKYLJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.905,208-693-3,538-44-3,"4,4-dimethyl-1-phenylpent-1-en-3-one","4,4-dimethyl-1-phenylpent-1-en-3-one",CC(C)(C)C(=O)C=Cc1ccccc1,CC(C)(C)C(=O)C=Cc1ccccc1,"InChI=1/C13H16O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3",C13H16O,,,,,,YHFHIZDYJXYXOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.908,208-697-5,538-58-9,"1,5-diphenylpenta-1,4-dien-3-one","1,5-diphenylpenta-1,4-dien-3-one",O=C(C=Cc1ccccc1)C=Cc2ccccc2,O=C(C=Cc1ccccc1)C=Cc2ccccc2,InChI=1/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H,C17H14O,,,,,,WMKGGPCROCCUDY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.834,209-715-4,591-47-9,4-methylcyclohexene,4-methylcyclohexene,CC1CCC=CC1,CC1CCC=CC1,"InChI=1/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3",C7H12,,,,,,FSWCCQWDVGZMRD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.836,209-718-0,591-49-1,1-methylcyclohexene,1-methylcyclohexene,CC1=CCCCC1,CC1=CCCCC1,"InChI=1/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3",C7H12,,,,,,CTMHWPIWNRWQEG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.843,209-725-9,591-64-0,Calcium bis(4-oxovalerate),calcium bis(4-oxopentanoate),[Ca+2].CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-],[Ca+2].CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-],"InChI=1/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2",C5H8O3.1/2Ca,,,,,,APKDPOQXVKRLEP-UHFFFAOYSA-L,,,,,,,,,,,
100.008.844,209-726-4,591-65-1,Barium dioleate,barium dioctadec-9-enoate,[Ba+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Ba+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Ba,,,,,,BHDOPTZJCSDVJE-CVBJKYQLSA-L,,,,,,,,,,,
100.008.852,209-735-3,591-89-9,Dipotassium tetracyanomercurate,dipotassium tetrakis(cyano-kappaC)mercurate(2-),[K+].[K+].N#C[Hg-2](C#N)(C#N)C#N,[K+].[K+].N#C[Hg-2](C#N)(C#N)C#N,"InChI=1/4CN.Hg.2K/c4*1-2;;;/q;;;;-2;2*+1/rC4HgN4.2K/c6-1-5(2-7,3-8)4-9;;/q-2;2*+1",C4HgN4.2K,,,,,,OYTUBTNXUBGVOG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.853,209-736-9,591-93-5,"Penta-1,4-diene","penta-1,4-diene",C=CCC=C,C=CCC=C,"InChI=1/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2",C5H8,,,,,,QYZLKGVUSQXAMU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.855,209-739-5,591-97-9,1-chlorobut-2-ene,1-chlorobut-2-ene,CC=CCCl,CC=CCCl,"InChI=1/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3",C4H7Cl,,,,,,YTKRILODNOEEPX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.859,209-743-7,592-06-3,Platinum dicyanide,platinum(2+) dicyanide,[Pt+2].[C-]#N.[C-]#N,[Pt+2].[C-]#N.[C-]#N,InChI=1/2CN.Pt/c2*1-2;/q2*-1;+2,C2N2Pt,,,,,,INXLGDBFWGBBOC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.860,209-744-2,592-09-6,"Trichloro(3,3,3-trifluoropropyl)silane","trichloro(3,3,3-trifluoropropyl)silane",FC(F)(F)CC[Si](Cl)(Cl)Cl,FC(F)(F)CC[Si](Cl)(Cl)Cl,"InChI=1/C3H4Cl3F3Si/c4-10(5,6)2-1-3(7,8)9/h1-2H2",C3H4Cl3F3Si,,,,,,WEUBQNJHVBMUMD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.863,209-747-9,592-27-8,2-methylheptane,2-methylheptane,CCCCCC(C)C,CCCCCC(C)C,"InChI=1/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3",C8H18,,,,,,JVSWJIKNEAIKJW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.866,209-751-0,592-35-8,Butyl carbamate,butyl carbamate,CCCCOC(=O)N,CCCCOC(=O)N,"InChI=1/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7)",C5H11NO2,,,,,,SKKTUOZKZKCGTB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.868,209-753-1,592-41-6,Hex-1-ene,hex-1-ene,CCCCC=C,CCCCC=C,"InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",C6H12,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15420,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.868,LIKMAJRDDDTEIG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.685,212-853-8,873-77-8,Bromo(p-chlorophenyl)magnesium,bromo(4-chlorophenyl)magnesium,Clc1ccc([Mg]Br)cc1,Clc1ccc([Mg]Br)cc1,InChI=1/C6H4Cl.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1/rC6H4BrClMg/c7-9-6-3-1-5(8)2-4-6/h1-4H,C6H4BrClMg,,,,,,CDEMHJCJMMOFMB-UHFFFAOYSA-M,,,,,,,,,,,
100.011.686,212-854-3,873-83-6,6-aminouracil,"6-aminopyrimidine-2,4(1H,3H)-dione",NC1=CC(=O)NC(=O)N1,NC1=CC(=O)NC(=O)N1,"InChI=1/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)",C4H5N3O2,,,,,,LNDZXOWGUAIUBG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.691,212-860-6,874-41-9,4-ethyl-m-xylene,"1-ethyl-2,4-dimethylbenzene",CCc1ccc(C)cc1C,CCc1ccc(C)cc1C,"InChI=1/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3",C10H14,,,,,,MEMBJMDZWKVOTB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.694,212-863-2,874-52-2,"N,N-dimethylaniline N-oxide",dimethyl(phenyl)amine oxide,C[N+](C)([O-])c1ccccc1,C[N+](C)([O-])c1ccccc1,"InChI=1/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11NO,,,,,,LKQUDAOAMBKKQW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.698,212-867-4,874-84-0,2-(2-nitrovinyl)thiophene,2-(2-nitrovinyl)thiophene,[O-][N+](=O)\\C=C\\c1cccs1,[O-][N+](=O)\C=C\c1cccs1,InChI=1/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,C6H5NO2S,,,,,,UTPOWFFIBWOQRK-ONEGZZNKSA-N,,,,,,,,,,,
100.011.700,212-870-0,874-87-3,1-(chloromethyl)-4-(methylthio)benzene,1-(chloromethyl)-4-(methylsulfanyl)benzene,CSc1ccc(CCl)cc1,CSc1ccc(CCl)cc1,"InChI=1/C8H9ClS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3",C8H9ClS,,,,,,VWVZFHRDLPHBEG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.702,212-872-1,875-30-9,"1,3-dimethylindole","1,3-dimethyl-1H-indole",Cc1cn(C)c2ccccc12,Cc1cn(C)c2ccccc12,"InChI=1/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3",C10H11N,,,,,,NAPPMSNSLWACIV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.712,212-883-1,876-98-2,"2,6-xylyl acetate","2,6-dimethylphenyl acetate",CC(=O)Oc1c(C)cccc1C,CC(=O)Oc1c(C)cccc1C,"InChI=1/C10H12O2/c1-7-5-4-6-8(2)10(7)12-9(3)11/h4-6H,1-3H3",C10H12O2,,,,,,UDDBRJGGGUMTQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.718,212-889-4,877-24-7,Potassium hydrogen phthalate,hydrogen potassium phthalate,[K+].[O-]C(=O)c1ccccc1C(=O)[O-],[K+].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-2",C8H6O4.K,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18786,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.718,IWZKICVEHNUQTL-UHFFFAOYSA-L,,,,,,,,,,,
100.011.723,212-895-7,877-66-7,4-(methylsulphonyl)phenylhydrazine,[4-(methylsulfonyl)phenyl]hydrazine,CS(=O)(=O)c1ccc(NN)cc1,CS(=O)(=O)c1ccc(NN)cc1,"InChI=1/C7H10N2O2S/c1-12(10,11)7-4-2-6(9-8)3-5-7/h2-5,9H,8H2,1H3",C7H10N2O2S,,,,,,ZHYAENSFCNMJQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.724,212-896-2,877-89-4,"2,4,6-trimethoxy-1,3,5-triazine","2,4,6-trimethoxy-1,3,5-triazine",COc1nc(OC)nc(OC)n1,COc1nc(OC)nc(OC)n1,InChI=1/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3,C6H9N3O3,,,,,,DFUGJTBMQKRCPI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.586,213-844-1,1028-91-7,2-[nitroso(phenylmethyl)amino]benzoic acid,2-[benzyl(nitroso)amino]benzoic acid,OC(=O)c1ccccc1N(Cc2ccccc2)N=O,OC(=O)c1ccccc1N(Cc2ccccc2)N=O,"InChI=1/C14H12N2O3/c17-14(18)12-8-4-5-9-13(12)16(15-19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)",C14H12N2O3,,,,,,VXZOBNZOEBYBFR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.589,213-847-8,1031-37-4,1-benzyl-4-(propylamino)piperidine-4-carboxamide,1-benzyl-4-(propylamino)piperidine-4-carboxamide,CCCNC1(CCN(Cc2ccccc2)CC1)C(=O)N,CCCNC1(CCN(Cc2ccccc2)CC1)C(=O)N,"InChI=1/C16H25N3O/c1-2-10-18-16(15(17)20)8-11-19(12-9-16)13-14-6-4-3-5-7-14/h3-7,18H,2,8-13H2,1H3,(H2,17,20)",C16H25N3O,,,,,,SXXNRWUIGQVITE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.590,213-848-3,1031-93-2,Diphenyl-p-tolylphosphine,(4-methylphenyl)(diphenyl)phosphine,Cc1ccc(cc1)P(c2ccccc2)c3ccccc3,Cc1ccc(cc1)P(c2ccccc2)c3ccccc3,"InChI=1/C19H17P/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3",C19H17P,,,,,,QJIMTLTYXBDJFC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.592,213-850-4,1033-93-8,Ethyl 4-oxo-1-phenethylpiperidine-3-carboxylate hydrochloride,ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate hydrochloride,Cl.CCOC(=O)C1CN(CCc2ccccc2)CCC1=O,Cl.CCOC(=O)C1CN(CCc2ccccc2)CCC1=O,"InChI=1/C16H21NO3.ClH/c1-2-20-16(19)14-12-17(11-9-15(14)18)10-8-13-6-4-3-5-7-13;/h3-7,14H,2,8-12H2,1H3;1H",C16H21NO3.ClH,,,,,,LMTQWMZJZQCHRG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.593,213-852-5,1033-99-4,"N,N-dimethyl-2,2-diphenoxyacetamide","N,N-dimethyl-2,2-diphenoxyacetamide",CN(C)C(=O)C(Oc1ccccc1)Oc2ccccc2,CN(C)C(=O)C(Oc1ccccc1)Oc2ccccc2,"InChI=1/C16H17NO3/c1-17(2)15(18)16(19-13-9-5-3-6-10-13)20-14-11-7-4-8-12-14/h3-12,16H,1-2H3",C16H17NO3,,,,,,VAJOAIANUZSWJO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.596,213-855-1,1034-39-5,Dibromotriphenylphosphorane,dibromo(triphenyl)phosphorane,BrP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,BrP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15Br2P,,,,,,OCXGTPDKNBIOTF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.539,210-492-0,616-76-2,5-formylsalicylic acid,5-formyl-2-hydroxybenzoic acid,OC(=O)c1cc(C=O)ccc1O,OC(=O)c1cc(C=O)ccc1O,"InChI=1/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12)",C8H6O4,,,,,,UTCFOFWMEPQCSR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.549,210-502-3,617-04-9,Methyl a-D-mannopyranoside,methyl alpha-D-mannopyranoside,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",C7H14O6,,,,,,HOVAGTYPODGVJG-VEIUFWFVSA-N,,,,,,,,,,,
100.009.554,210-508-6,617-29-8,2-methylhexan-3-ol,2-methylhexan-3-ol,CCCC(O)C(C)C,CCCC(O)C(C)C,"InChI=1/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3",C7H16O,,,,,,RGRUUTLDBCWYBL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.556,210-510-7,617-33-4,Ethyl dibromoacetate,ethyl dibromoacetate,CCOC(=O)C(Br)Br,CCOC(=O)C(Br)Br,"InChI=1/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",C4H6Br2O2,,,,,,NIJGVVHCUXNSLL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.562,210-517-5,617-50-5,Isopropyl isobutyrate,isopropyl 2-methylpropanoate,CC(C)OC(=O)C(C)C,CC(C)OC(=O)C(C)C,"InChI=1/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3",C7H14O2,,,,,,WVRPFQGZHKZCEB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.563,210-518-0,617-51-6,Isopropyl lactate,isopropyl 2-hydroxypropanoate,CC(C)OC(=O)C(C)O,CC(C)OC(=O)C(C)O,"InChI=1/C6H12O3/c1-4(2)9-6(8)5(3)7/h4-5,7H,1-3H3",C6H12O3,,,,,,KIWATKANDHUUOB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.571,210-526-4,617-75-4,Triethylarsine,triethylarsine,CC[As](CC)CC,CC[As](CC)CC,"InChI=1/C6H15As/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15As,,,,,,WWVNWQJKWKSDQM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.574,210-530-6,617-79-8,2-ethylbutylamine,2-ethylbutan-1-amine,CCC(CC)CN,CCC(CC)CN,"InChI=1/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3",C6H15N,,,,,,MGWAGIQQTULHGU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.387,211-424-2,644-90-6,(±)-2-aminooctanoic acid,2-aminooctanoic acid,CCCCCCC(N)C(=O)O,CCCCCCC(N)C(=O)O,"InChI=1/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)",C8H17NO2,,,,,,AKVBCGQVQXPRLD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.388,211-425-8,644-97-3,Dichloro(phenyl)phosphine,phenylphosphonous dichloride,ClP(Cl)c1ccccc1,ClP(Cl)c1ccccc1,InChI=1/C6H5Cl2P/c7-9(8)6-4-2-1-3-5-6/h1-5H,C6H5Cl2P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5488,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.388,IMDXZWRLUZPMDH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.400,211-438-9,645-35-2,L-histidine monohydrochloride,D-histidine hydrochloride,Cl.N[C@@H](Cc1c[nH]cn1)C(=O)O,Cl.N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H",C6H9N3O2.ClH,,,,,,QZNNVYOVQUKYSC-JEDNCBNOSA-N,,,,,,,,,,,
100.010.411,211-450-4,645-68-1,"6,9,10-trimethylundeca-3,5,9-trien-2-one","6,9,10-trimethylundeca-3,5,9-trien-2-one",C/C(C)=C(/C)CCC(C)=CC=CC(C)=O,C/C(C)=C(/C)CCC(C)=CC=CC(C)=O,"InChI=1/C14H22O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h6-8H,9-10H2,1-5H3",C14H22O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16568,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.411,GCTRVODCXLJJRK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.421,211-461-4,646-04-8,trans-pent-2-ene,pent-2-ene,CC\\C=C\\C,CC\C=C\C,"InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",C5H10,,,,,,QMMOXUPEWRXHJS-HWKANZROSA-N,,,,,,,,,,,
100.010.432,211-474-5,646-31-1,Tetracosane,tetracosane,CCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50,,,,,,POOSGDOYLQNASK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.168,212-285-0,776-99-8,"1-(3,4-dimethoxyphenyl)acetone","1-(3,4-dimethoxyphenyl)acetone",COc1ccc(CC(=O)C)cc1OC,COc1ccc(CC(=O)C)cc1OC,"InChI=1/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3",C11H14O3,,,,,,UMYZWICEDUEWIM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.172,212-289-2,777-52-6,4-nitrophenyl dichlorophosphonate,4-nitrophenyl dichlorophosphate,ClP(=O)(Cl)Oc1ccc(cc1)N(=O)=O,ClP(=O)(Cl)Oc1ccc(cc1)N(=O)=O,"InChI=1/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H",C6H4Cl2NO4P,,,,,,NCPBESHYZRJICR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.176,212-293-4,778-25-6,Hydroxymethyldiphenylsilane,(diphenylsilyl)methanol,OC[SiH](c1ccccc1)c2ccccc2,OC[SiH](c1ccccc1)c2ccccc2,"InChI=1/C13H14OSi/c14-11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2",C13H14OSi,,,,,,CBMQIDZFEYECES-UHFFFAOYSA-N,,,,,,,,,,,
100.011.180,212-298-1,778-94-9,2-nitro-4-(trifluoromethyl)benzonitrile,2-nitro-4-(trifluoromethyl)benzonitrile,[O-][N+](=O)c1cc(ccc1C#N)C(F)(F)F,[O-][N+](=O)c1cc(ccc1C#N)C(F)(F)F,"InChI=1/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H",C8H3F3N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13831,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.180,BQCWLXXZTCLGSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.184,212-302-1,779-90-8,"1,3,5,triacetylbenzene","1,1',1''-benzene-1,3,5-triyltriethanone",CC(=O)c1cc(cc(c1)C(=O)C)C(=O)C,CC(=O)c1cc(cc(c1)C(=O)C)C(=O)C,"InChI=1/C12H12O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H,1-3H3",C12H12O3,,,,,,HSOAIPRTHLEQFI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.186,212-304-2,780-25-6,N-benzylidenebenzylamine,N-benzylidene-1-phenylmethanamine,C(=NCc1ccccc1)c2ccccc2,C(=NCc1ccccc1)c2ccccc2,"InChI=1/C14H13N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-11H,12H2",C14H13N,,,,,,MIYKHJXFICMPOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.391,213-630-8,996-30-5,Sodium isobutyrate,sodium 2-methylpropanoate,[Na+].CC(C)C(=O)[O-],[Na+].CC(C)C(=O)[O-],"InChI=1/C4H8O2.Na/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1",C4H8O2.Na,,,,,,TWEGKFXBDXYJIU-UHFFFAOYSA-M,,,,,,,,,,,
100.012.394,213-633-4,996-34-9,Diytterbium trioxalate,diytterbium trioxalate,[Yb+2].[Yb+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Yb+2].[Yb+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Yb.4H/c3*3-1(4)2(5)6;;;;;;/h3*(H,3,4)(H,5,6);;;;;;/q;;;2*+2;;;;/p-6/r3C2H2O4.2H2Yb/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);2*1H2/q;;;2*+2/p-6",C6O12Yb2,,,,,,IZNXCWLIHXOHQI-UHFFFAOYSA-H,,,,,,,,,,,
100.012.396,213-636-0,996-37-2,"1,1,1-trimethyl-N-(trimethylsilyl)-N-(trimethylstannyl)silylamine","1,1,1-trimethyl-N-(trimethylsilyl)-N-(trimethylstannyl)silanamine",C[Si](C)(C)N([Si](C)(C)C)[Sn](C)(C)C,C[Si](C)(C)N([Si](C)(C)C)[Sn](C)(C)C,"InChI=1/C6H18NSi2.3CH3.Sn/c1-8(2,3)7-9(4,5)6;;;;/h1-6H3;3*1H3;/q-1;;;;+1/rC9H27NSi2Sn/c1-11(2,3)10(12(4,5)6)13(7,8)9/h1-9H3",C9H27NSi2Sn,,,,,,MLUZPJGIJKYKQM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.399,213-639-7,996-97-4,"N,N-diethyloctanamide","N,N-diethyloctanamide",CCCCCCCC(=O)N(CC)CC,CCCCCCCC(=O)N(CC)CC,"InChI=1/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3",C12H25NO,,,,,,FHJRFIYKPIXQNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.404,213-644-4,997-95-5,Diisobutylnitrosoamine,N-isobutyl-2-methyl-N-nitrosopropan-1-amine,CC(C)CN(CC(C)C)N=O,CC(C)CN(CC(C)C)N=O,"InChI=1/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3",C8H18N2O,,,,,,XLZCLFRMPCBSDI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.408,213-649-1,998-29-8,Tripropylsilane,tripropylsilane,CCC[SiH](CCC)CCC,CCC[SiH](CCC)CCC,"InChI=1/C9H22Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3",C9H22Si,,,,,,ZHOVAWFVVBWEGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.952,212-047-6,755-25-9,Perfluorohex-1-ene,"1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohex-1-ene",FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F,FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F,"InChI=1/C6F12/c7-1(2(8)9)3(10,11)4(12,13)5(14,15)6(16,17)18",C6F12,,,,,,RMHCWMIZBMGHKV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.954,212-049-7,756-09-2,"2,2,3,3-tetrafluoropropionic acid","2,2,3,3-tetrafluoropropanoic acid",OC(=O)C(F)(F)C(F)F,OC(=O)C(F)(F)C(F)F,"InChI=1/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)",C3H2F4O2,,,,,,PXRROZVNOOEPPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.957,212-052-3,756-79-6,Dimethyl methylphosphonate,dimethyl methylphosphonate,COP(=O)(C)OC,COP(=O)(C)OC,"InChI=1/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3",C3H9O3P,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1231,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.957,VONWDASPFIQPDY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.958,212-053-9,756-80-9,"O,O-dimethyl hydrogen dithiophosphate","O,O-dimethyl hydrogen dithiophosphate",COP(=S)(S)OC,COP(=S)(S)OC,"InChI=1/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)",C2H7O2PS2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10137,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.958,CZGGKXNYNPJFAX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.959,212-054-4,757-17-5,"1,1,2,2-tetrafluoro-1-(2-methoxyethoxy)ethane","1,1,2,2-tetrafluoro-1-(2-methoxyethoxy)ethane",COCCOC(F)(F)C(F)F,COCCOC(F)(F)C(F)F,"InChI=1/C5H8F4O2/c1-10-2-3-11-5(8,9)4(6)7/h4H,2-3H2,1H3",C5H8F4O2,,,,,,XSEUCSPTQSHAQM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.960,212-056-5,757-44-8,Diethyl [2-(triethoxysilyl)ethyl]phosphonate,diethyl [2-(triethoxysilyl)ethyl]phosphonate,CCO[Si](CCP(=O)(OCC)OCC)(OCC)OCC,CCO[Si](CCP(=O)(OCC)OCC)(OCC)OCC,"InChI=1/C12H29O6PSi/c1-6-14-19(13,15-7-2)11-12-20(16-8-3,17-9-4)18-10-5/h6-12H2,1-5H3",C12H29O6PSi,,,,,,RGAHQVPQZZNNOV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.963,212-059-1,758-12-3,Acetic [2H]acid,acetic acid,CC(=O)O,CC(=O)O,"InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",C2H3DO2,,,,,,QTBSBXVTEAMEQO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.964,212-060-7,758-16-7,"N,N-dimethylthioformamide","N,N-dimethylthioformamide",CN(C)C=S,CN(C)C=S,"InChI=1/C3H7NS/c1-4(2)3-5/h3H,1-2H3",C3H7NS,,,,,,SKECXRFZFFAANN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.968,212-064-9,758-96-3,"N,N-dimethylpropionamide","N,N-dimethylpropanamide",CCC(=O)N(C)C,CCC(=O)N(C)C,"InChI=1/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3",C5H11NO,,,,,,MBHINSULENHCMF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.969,212-065-4,759-05-7,3-methyl-2-oxobutyric acid,3-methyl-2-oxobutanoic acid,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O,"InChI=1/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)",C5H8O3,,,,,,QHKABHOOEWYVLI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.972,212-069-6,759-51-3,Ethyl 2-cyano-3-methylpent-2-ene-1-oate,ethyl 2-cyano-3-methylpent-2-enoate,CCC(C)=C(C#N)C(=O)OCC,CCC(C)=C(C#N)C(=O)OCC,"InChI=1/C9H13NO2/c1-4-7(3)8(6-10)9(11)12-5-2/h4-5H2,1-3H3",C9H13NO2,,,,,,WBPLDHMXQALQAT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.978,212-075-9,760-19-0,Bromodiethylaluminium,bromo(diethyl)aluminum,CC[Al](Br)CC,CC[Al](Br)CC,"InChI=1/2C2H5.Al.BrH/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1/rC4H10AlBr/c1-3-5(6)4-2/h3-4H2,1-2H3",C4H10AlBr,,,,,,JJSGABFIILQOEY-UHFFFAOYSA-M,,,,,,,,,,,
100.010.981,212-079-0,760-23-6,"3,4-dichlorobut-1-ene","3,4-dichlorobut-1-ene",ClCC(Cl)C=C,ClCC(Cl)C=C,"InChI=1/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2",C4H6Cl2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1351,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.981,XVEASTGLHPVZNA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.873,209-758-9,592-47-2,Hex-3-ene,hex-3-ene,CCC=CCC,CCC=CCC,"InChI=1/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3",C6H12,,,,,,ZQDPJFUHLCOCRG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.878,209-764-1,592-57-4,"Cyclohexa-1,3-diene","cyclohexa-1,3-diene",C1CC=CC=C1,C1CC=CC=C1,"InChI=1/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2",C6H8,,,,,,MGNZXYYWBUKAII-UHFFFAOYSA-N,,,,,,,,,,,
100.008.881,209-767-8,592-76-7,Hept-1-ene,hept-1-ene,CCCCCC=C,CCCCCC=C,"InChI=1/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3",C7H14,,,,,,ZGEGCLOFRBLKSE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.883,209-769-9,592-78-9,Hept-3-ene,hept-3-ene,CCCC=CCC,CCCC=CCC,"InChI=1/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3",C7H14,,,,,,WZHKDGJSXCTSCK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.886,209-773-0,592-85-8,Mercury dithiocyanate,mercury bis(thiocyanate),[Hg+2].[S-]C#N.[S-]C#N,[Hg+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Hg/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Hg,,,,,,GBZANUMDJPCQHY-UHFFFAOYSA-L,,,,,,,,,,,
100.007.205,207-925-0,501-53-1,Benzyl chloroformate,benzyl chlorocarbonate,ClC(=O)OCc1ccccc1,ClC(=O)OCc1ccccc1,"InChI=1/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2",C8H7ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12078,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.205,HSDAJNMJOMSNEV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.214,207-935-5,502-39-6,1-cyano-3-(methylmercurio)guanidine,(1-cyanoguanidinato-kappaN')(methyl)mercury,C[Hg]NC(=N)NC#N,C[Hg]NC(=N)NC#N,"InChI=1/C2H3N4.CH3.Hg/c3-1-6-2(4)5;;/h(H3-,4,5,6);1H3;/q-1;;+1/rC3H6HgN4/c1-4-8-3(6)7-2-5/h1H3,(H3,6,7,8)",C3H6HgN4,,,,,,JVJUWCMBRUMDDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.220,207-941-8,502-50-1,4-oxopimelic acid,4-oxoheptanedioic acid,OC(=O)CCC(=O)CCC(=O)O,OC(=O)CCC(=O)CCC(=O)O,"InChI=1/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)",C7H10O5,,,,,,UDDSEESQRGPVIL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.222,207-943-9,502-53-4,"2,3-dihydroxypropyl hexanoate","2,3-dihydroxypropyl hexanoate",CCCCCC(=O)OCC(O)CO,CCCCCC(=O)OCC(O)CO,"InChI=1/C9H18O4/c1-2-3-4-5-9(12)13-7-8(11)6-10/h8,10-11H,2-7H2,1H3",C9H18O4,,,,,,RRZWKUGIZRDCPB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.223,207-944-4,502-55-6,Dixanthogen,"1,1'-[disulfanediylbis(carbonothioyloxy)]diethane",CCOC(=S)SSC(=S)OCC,CCOC(=S)SSC(=S)OCC,"InChI=1/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3",C6H10O2S4,,,,,,FVIGODVHAVLZOO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.226,207-948-6,502-61-4,"2,6,10-trimethyldodeca-2,6,9,11-tetraene","3,7,11-trimethyldodeca-1,3,6,10-tetraene",CC(=CCC=C(C)CC\\C=C(/C)C)C=C,CC(=CCC=C(C)CC\C=C(/C)C)C=C,"InChI=1/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3",C15H24,,,,,,CXENHBSYCFFKJS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.227,207-949-1,502-65-8,"Psi,psi-carotene","psi,psi-carotene",CC(=CCC\\C(=C\\C=C\\C(=C\\C=C\\C(=C\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\CCC=C(C)C)\\C)\\C)\\C)C,CC(=CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)\C)\C)\C)C,"InChI=1/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3",C40H56,,,,,,OAIJSZIZWZSQBC-GYZMGTAESA-N,,,,,,,,,,,
100.007.232,207-954-9,502-97-6,"1,4-dioxane-2,5-dione","1,4-dioxane-2,5-dione",O=C1COC(=O)CO1,O=C1COC(=O)CO1,InChI=1/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2,C4H4O4,,,,,,RKDVKSZUMVYZHH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.236,207-959-6,503-01-5,Isometheptene,"N,6-dimethylhept-5-en-2-amine",CNC(C)CCC=C(C)C,CNC(C)CCC=C(C)C,"InChI=1/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3",C9H19N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12186,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.236,XVQUOJBERHHONY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.237,207-960-1,503-09-3,"1,2-epoxy-3-fluoropropane",2-(fluoromethyl)oxirane,FCC1CO1,FCC1CO1,"InChI=1/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2",C3H5FO,,,,,,OIFAHDAXIUURLN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.239,207-962-2,503-17-3,But-2-yne,but-2-yne,CC#CC,CC#CC,InChI=1/C4H6/c1-3-4-2/h1-2H3,C4H6,,,,,,XNMQEEKYCVKGBD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.242,207-965-9,503-38-8,Trichloromethyl chloroformate,trichloromethyl chlorocarbonate,ClC(=O)OC(Cl)(Cl)Cl,ClC(=O)OC(Cl)(Cl)Cl,"InChI=1/C2Cl4O2/c3-1(7)8-2(4,5)6",C2Cl4O2,,,,,,HCUYBXPSSCRKRF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.243,207-966-4,503-40-2,Methanedisulphonic acid,methanedisulfonic acid,OS(=O)(=O)CS(=O)(=O)O,OS(=O)(=O)CS(=O)(=O)O,"InChI=1/CH4O6S2/c2-8(3,4)1-9(5,6)7/h1H2,(H,2,3,4)(H,5,6,7)",CH4O6S2,,,,,,OPUAWDUYWRUIIL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.249,207-973-2,503-64-0,Isocrotonic acid,but-2-enoic acid,C\\C=C/C(=O)O,C\C=C/C(=O)O,"InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)",C4H6O2,,,,,,LDHQCZJRKDOVOX-IHWYPQMZSA-N,,,,,,,,,,,
100.006.256,206-880-4,392-85-8,"a,a,a,2-tetrafluorotoluene",1-fluoro-2-(trifluoromethyl)benzene,Fc1ccccc1C(F)(F)F,Fc1ccccc1C(F)(F)F,"InChI=1/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",C7H4F4,,,,,,BGVGHYOIWIALFF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.598,213-857-2,1034-49-7,(bromomethyl)triphenylphosphonium bromide,(bromomethyl)(triphenyl)phosphonium bromide,[Br-].BrC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].BrC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H17BrP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1",C19H17BrP.Br,,,,,,YFTMLUSIDVFTKU-UHFFFAOYSA-M,,,,,,,,,,,
100.012.601,213-860-9,1038-28-4,"(±)-13-ethyl-3-methoxygona-2,5(10)-dien-17ß-ol","13-ethyl-3-methoxy-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",CCC12CCC3C(CCC4=C3CC=C(C4)OC)C1CCC2O,CCC12CCC3C(CCC4=C3CC=C(C4)OC)C1CCC2O,"InChI=1/C20H30O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-19,21H,3-4,6-12H2,1-2H3",C20H30O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16804,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.601,DKGAZBPXLWEBPI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.611,213-871-9,1043-10-3,"11ß,17ß-dihydroxy-17-methylandrost-4-en-3-one","11,17-dihydroxy-17-methylandrost-4-en-3-one",C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3",C20H30O3,,,,,,UBIBSXMTVJAYTQ-OWLVHUDESA-N,,,,,,,,,,,
100.012.614,213-875-0,1045-51-8,1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide,1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide,NC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccc(Cl)cc3,NC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccc(Cl)cc3,"InChI=1/C19H22ClN3O/c20-16-6-8-17(9-7-16)22-19(18(21)24)10-12-23(13-11-19)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H2,21,24)",C19H22ClN3O,,,,,,AEKOWUCMHAZKCM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.620,213-881-3,1048-08-4,Tetraphenylsilane,tetraphenylsilane,c1ccc(cc1)[Si](c2ccccc2)(c3ccccc3)c4ccccc4,c1ccc(cc1)[Si](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20Si/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C24H20Si,,,,,,JLAVCPKULITDHO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.624,213-886-0,1050-51-7,"8-benzyl-3-(hydroxymethyl)-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one","8-benzyl-3-(hydroxymethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",OCN1CN(c2ccccc2)C3(CCN(Cc4ccccc4)CC3)C1=O,OCN1CN(c2ccccc2)C3(CCN(Cc4ccccc4)CC3)C1=O,"InChI=1/C21H25N3O2/c25-17-23-16-24(19-9-5-2-6-10-19)21(20(23)26)11-13-22(14-12-21)15-18-7-3-1-4-8-18/h1-10,25H,11-17H2",C21H25N3O2,,,,,,ASEPNUUZQHNDQR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.626,213-888-1,1052-38-6,"4,4'-[1,3-phenylenebis(azo)]bisbenzene-1,3-diamine","4,4'-(1,3-phenylenedidiazene-2,1-diyl)dibenzene-1,3-diamine",Nc3ccc(N=Nc2cccc(N=Nc1ccc(N)cc1N)c2)c(N)c3,Nc3ccc(N=Nc2cccc(N=Nc1ccc(N)cc1N)c2)c(N)c3,"InChI=1/C18H18N8/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22/h1-10H,19-22H2",C18H18N8,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17589,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.626,BDFZFGDTHFGWRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.424,213-666-4,999-81-5,Chlormequat chloride,"2-chloro-N,N,N-trimethylethanaminium chloride",[Cl-].C[N+](C)(C)CCCl,[Cl-].C[N+](C)(C)CCCl,"InChI=1/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1",C5H13ClN.Cl,,,,,,UHZZMRAGKVHANO-UHFFFAOYSA-M,,,,,,,,,,,
100.012.431,213-674-8,1000-82-4,(hydroxymethyl)urea,1-(hydroxymethyl)urea,NC(=O)NCO,NC(=O)NCO,"InChI=1/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)",C2H6N2O2,,,,,,VGGLHLAESQEWCR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.432,213-675-3,1000-83-5,(hydroxymethyl)thiourea,1-(hydroxymethyl)thiourea,NC(=S)NCO,NC(=S)NCO,"InChI=1/C2H6N2OS/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)",C2H6N2OS,,,,,,CALBDOUFMLLGQH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.433,213-676-9,1000-84-6,Ethyl acetimidate,ethyl ethanimidoate,CCOC(=N)C,CCOC(=N)C,"InChI=1/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3",C4H9NO,,,,,,JMIAPORGEDIDLT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.440,213-684-2,1002-16-0,Pentyl nitrate,pentyl nitrate,CCCCCO[N+](=O)[O-],CCCCCO[N+](=O)[O-],"InChI=1/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3",C5H11NO3,,,,,,HSNWZBCBUUSSQD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.443,213-687-9,1002-57-9,8-aminooctanoic acid,8-aminooctanoic acid,NCCCCCCCC(=O)O,NCCCCCCCC(=O)O,"InChI=1/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)",C8H17NO2,,,,,,UQXNEWQGGVUVQA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.445,213-690-5,1002-67-1,1-ethoxy-2-(2-methoxyethoxy)ethane,1-ethoxy-2-(2-methoxyethoxy)ethane,CCOCCOCCOC,CCOCCOCCOC,"InChI=1/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3",C7H16O3,,,,,,CNJRPYFBORAQAU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.447,213-692-6,1002-82-0,Sodium heptadecanoate,sodium heptadecanoate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/7C10H20O2.7Na/c7*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;/h7*2-9H2,1H3,(H,11,12);;;;;;;/q;;;;;;;7*+1/p-7",C17H34O2.Na,,,,,,USDUQGZNNCCVOL-UHFFFAOYSA-G,,,,,,,,,,,
100.012.451,213-696-8,1002-91-1,"N,N'-dibutylidenehexane-1,6-diamine","N,N'-dibutylidenehexane-1,6-diamine",CCCC=NCCCCCCN=CCCC,CCCC=NCCCCCCN=CCCC,"InChI=1/C14H28N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h11-12H,3-10,13-14H2,1-2H3",C14H28N2,,,,,,BXVWDQVTNGDHOK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.189,212-307-9,781-35-1,"1,1-diphenylacetone","1,1-diphenylacetone",CC(=O)C(c1ccccc1)c2ccccc2,CC(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3",C15H14O,,,,,,DBNWBEGCONIRGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.191,212-310-5,781-73-7,Fluoren-2-yl methyl ketone,1-(9H-fluoren-2-yl)ethanone,CC(=O)c1ccc2c(Cc3ccccc23)c1,CC(=O)c1ccc2c(Cc3ccccc23)c1,"InChI=1/C15H12O/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8H,9H2,1H3",C15H12O,,,,,,IBASEVZORZFIIH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.193,212-312-6,782-23-0,"2,7-dimethylanthracene","2,7-dimethylanthracene",Cc1ccc2cc3ccc(C)cc3cc2c1,Cc1ccc2cc3ccc(C)cc3cc2c1,"InChI=1/C16H14/c1-11-3-5-13-9-14-6-4-12(2)8-16(14)10-15(13)7-11/h3-10H,1-2H3",C16H14,,,,,,CFDDCSMNZFPVTH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.194,212-313-1,782-45-6,4-aminobenzanilide,4-amino-N-phenylbenzamide,Nc1ccc(cc1)C(=O)Nc2ccccc2,Nc1ccc(cc1)C(=O)Nc2ccccc2,"InChI=1/C13H12N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)",C13H12N2O,,,,,,QHWDUJPWCGEBTH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.199,212-318-9,784-98-5,Ethyl 3-(o-nitrophenyl)pyruvate,ethyl 3-(2-nitrophenyl)-2-oxopropanoate,CCOC(=O)C(=O)Cc1ccccc1[N+](=O)[O-],CCOC(=O)C(=O)Cc1ccccc1[N+](=O)[O-],"InChI=1/C11H11NO5/c1-2-17-11(14)10(13)7-8-5-3-4-6-9(8)12(15)16/h3-6H,2,7H2,1H3",C11H11NO5,,,,,,AKWXORMMOJRIBI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.204,212-324-1,786-19-6,Carbophenothion,"S-{[(4-chlorophenyl)sulfanyl]methyl} O,O-diethyl dithiophosphate",CCOP(=S)(OCC)SCSc1ccc(Cl)cc1,CCOP(=S)(OCC)SCSc1ccc(Cl)cc1,"InChI=1/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3",C11H16ClO2PS3,,,,,,VEDTXTNSFWUXGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.209,212-329-9,787-84-8,N'-benzoylbenzohydrazide,N'-benzoylbenzohydrazide,O=C(NNC(=O)c1ccccc1)c2ccccc2,O=C(NNC(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H12N2O2/c17-13(11-7-3-1-4-8-11)15-16-14(18)12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)",C14H12N2O2,,,,,,GRRIYLZJLGTQJX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.213,212-334-6,789-47-9,Chrysene-2-amine,chrysen-2-amine,Nc1ccc2c(ccc3c4ccccc4ccc23)c1,Nc1ccc2c(ccc3c4ccccc4ccc23)c1,"InChI=1/C18H13N/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11H,19H2",C18H13N,,,,,,KSDIHKMNSYWRFB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.001,213-201-5,929-56-6,1-methoxyoctane,1-methoxyoctane,CCCCCCCCOC,CCCCCCCCOC,"InChI=1/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3",C9H20O,,,,,,RIAWWRJHTAZJSU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.007,213-207-8,929-77-1,Methyl docosanoate,methyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3",C23H46O2,,,,,,QSQLTHHMFHEFIY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.010,213-210-4,930-22-3,"3,4-epoxybut-1-ene",2-vinyloxirane,C=CC1CO1,C=CC1CO1,"InChI=1/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2",C4H6O,,,,,,GXBYFVGCMPJVJX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.016,213-217-2,930-38-1,"2,5-dihydro-1-methyl-1H-phosphole 1-oxide","1-methyl-2,5-dihydro-1H-phosphole 1-oxide",CP1(=O)CC=CC1,CP1(=O)CC=CC1,"InChI=1/C5H9OP/c1-7(6)4-2-3-5-7/h2-3H,4-5H2,1H3",C5H9OP,,,,,,MQLQAXIVFGHSDE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.017,213-218-8,930-55-2,1-nitrosopyrrolidine,1-nitrosopyrrolidine,O=NN1CCCC1,O=NN1CCCC1,InChI=1/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2,C4H8N2O,,,,,,WNYADZVDBIBLJJ-UHFFFAOYSA-N,Positive,EQ345001|EQ345002|EQ345003|EQ345004|EQ345005|EQ345006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,101.0709:55.0542:59.024|101.0709:55.0542:59.024|101.0709:55.0542:59.024|101.0709:55.0542:59.024|101.0709:55.0542:59.024|55.0542:101.0709:59.024,Eawag,,,,,
100.012.020,213-221-4,930-62-1,"2,4-dimethyl-1H-imidazole","2,4-dimethyl-1H-imidazole",Cc1c[nH]c(C)n1,Cc1c[nH]c(C)n1,"InChI=1/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7)",C5H8N2,,,,,,LLPKQRMDOFYSGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.022,213-224-0,930-69-8,Sodium benzenethiolate,sodium benzenethiolate,[Na+].[S-]c1ccccc1,[Na+].[S-]c1ccccc1,"InChI=1/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1",C6H6S.Na,,,,,,RZWQDAUIUBVCDD-UHFFFAOYSA-M,,,,,,,,,,,
100.012.026,213-228-2,930-99-4,"cis-1,2,3,3a,4,6a-hexahydropentalene","1,2,3,3a,4,6a-hexahydropentalene",C1C[C@H]2CC=C[C@H]2C1,C1C[C@H]2CC=C[C@H]2C1,"InChI=1/C8H12/c1-3-7-5-2-6-8(7)4-1/h1,3,7-8H,2,4-6H2",C8H12,,,,,,KEHFJHPSOFFXBO-JGVFFNPUSA-N,,,,,,,,,,,
100.012.027,213-229-8,931-17-9,"Cyclohexane-1,2-diol","cyclohexane-1,2-diol",OC1CCCCC1O,OC1CCCCC1O,"InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2",C6H12O2,,,,,,PFURGBBHAOXLIO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.030,213-232-4,931-22-6,"3,5-dimethylcyclopent-2-en-1-one","3,5-dimethylcyclopent-2-en-1-one",CC1CC(=CC1=O)C,CC1CC(=CC1=O)C,"InChI=1/C7H10O/c1-5-3-6(2)7(8)4-5/h4,6H,3H2,1-2H3",C7H10O,,,,,,SUZMRTGGJHYIBD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.036,213-239-2,931-54-4,Phenyl isocyanide,isocyanobenzene,[C-]#[N+]c1ccccc1,[C-]#[N+]c1ccccc1,InChI=1/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H,C7H5N,,,,,,RCIBIGQXGCBBCT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.995,212-094-2,762-16-3,Dioctanoyl peroxide,diheptylperoxyanhydride,CCCCCCCC(=O)OOC(=O)CCCCCCC,CCCCCCCC(=O)OOC(=O)CCCCCCC,"InChI=1/C16H30O4/c1-3-5-7-9-11-13-15(17)19-20-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3",C16H30O4,,,,,,SRSFOMHQIATOFV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.999,212-098-4,762-42-5,Dimethyl butynedioate,dimethyl but-2-ynedioate,COC(=O)C#CC(=O)OC,COC(=O)C#CC(=O)OC,InChI=1/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3,C6H6O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17209,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.999,VHILMKFSCRWWIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.000,210-999-7,627-42-9,2-chloroethyl methyl ether,1-chloro-2-methoxyethane,COCCCl,COCCCl,"InChI=1/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3",C3H7ClO,,,,,,XTIGGAHUZJWQMD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.001,211-000-7,627-44-1,Diethylmercury,diethylmercury,CC[Hg]CC,CC[Hg]CC,"InChI=1/2C2H5.Hg/c2*1-2;/h2*1H2,2H3;/rC4H10Hg/c1-3-5-4-2/h3-4H2,1-2H3",C4H10Hg,,,,,,SPIUPAOJDZNUJH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.673,212-840-7,873-50-7,3-methyl-1H-pyrazole-1-carboxamide,3-methyl-1H-pyrazole-1-carboxamide,Cc1ccn(n1)C(=O)N,Cc1ccn(n1)C(=O)N,"InChI=1/C5H7N3O/c1-4-2-3-8(7-4)5(6)9/h2-3H,1H3,(H2,6,9)",C5H7N3O,,,,,,PNZZQMXKKNDHNS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.675,212-842-8,873-55-2,Sodium benzenesulphinate,sodium benzenesulfinate,[Na+].[O-]S(=O)c1ccccc1,[Na+].[O-]S(=O)c1ccccc1,"InChI=1/C6H6O2S.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5H,(H,7,8);/q;+1/p-1",C6H6O2S.Na,,,,,,CHLCPTJLUJHDBO-UHFFFAOYSA-M,,,,,,,,,,,
100.011.678,212-845-4,873-62-1,m-hydroxybenzonitrile,3-hydroxybenzonitrile,Oc1cccc(c1)C#N,Oc1cccc(c1)C#N,"InChI=1/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H",C7H5NO,,,,,,SGHBRHKBCLLVCI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.689,212-858-5,874-23-7,2-acetylcyclohexanone,2-acetylcyclohexanone,CC(=O)C1CCCCC1=O,CC(=O)C1CCCCC1=O,"InChI=1/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3",C8H12O2,,,,,,OEKATORRSPXJHE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.690,212-859-0,874-24-8,3-hydroxypyridine-2-carboxylic acid,3-hydroxypyridine-2-carboxylic acid,OC(=O)c1ncccc1O,OC(=O)c1ncccc1O,"InChI=1/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)",C6H5NO3,,,,,,BRARRAHGNDUELT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.696,212-865-3,874-63-5,"3,5-dimethylanisole","1-methoxy-3,5-dimethylbenzene",COc1cc(C)cc(C)c1,COc1cc(C)cc(C)c1,"InChI=1/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3",C9H12O,,,,,,JCHJBEZBHANKGA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.699,212-869-5,874-86-2,4-(chloromethyl)benzonitrile,4-(chloromethyl)benzonitrile,ClCc1ccc(cc1)C#N,ClCc1ccc(cc1)C#N,"InChI=1/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2",C8H6ClN,,,,,,LOQLDQJTSMKBJU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.706,212-876-3,875-74-1,D-(-)-a-phenylglycine,amino(phenyl)acetic acid,NC(C(=O)O)c1ccccc1,NC(C(=O)O)c1ccccc1,"InChI=1/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)",C8H9NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5244,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.706,ZGUNAGUHMKGQNY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.713,212-884-7,877-03-2,5-bromoindole-3-carbaldehyde,5-bromo-1H-indole-3-carbaldehyde,Brc1ccc2[nH]cc(C=O)c2c1,Brc1ccc2[nH]cc(C=O)c2c1,"InChI=1/C9H6BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H",C9H6BrNO,,,,,,PEENKJZANBYXNB-UHFFFAOYSA-N,,,,,,,,,,,
100.011.726,212-898-3,878-00-2,4-formylphenyl acetate,4-formylphenyl acetate,CC(=O)Oc1ccc(C=O)cc1,CC(=O)Oc1ccc(C=O)cc1,"InChI=1/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3",C9H8O3,,,,,,SEVSMVUOKAMPDO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.588,213-846-2,1031-36-3,1-benzyl-4-(isopropylamino)piperidine-4-carboxamide,1-benzyl-4-(isopropylamino)piperidine-4-carboxamide,CC(C)NC1(CCN(Cc2ccccc2)CC1)C(=O)N,CC(C)NC1(CCN(Cc2ccccc2)CC1)C(=O)N,"InChI=1/C16H25N3O/c1-13(2)18-16(15(17)20)8-10-19(11-9-16)12-14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3,(H2,17,20)",C16H25N3O,,,,,,MSWWMXGLWBQMNG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.594,213-853-0,1034-01-1,"Octyl 3,4,5-trihydroxybenzoate","octyl 3,4,5-trihydroxybenzoate",CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3",C15H22O5,,,,,,NRPKURNSADTHLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.597,213-856-7,1034-48-6,"(5a)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan","3-methoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan",COc1ccc2C[C@@H]3[C@@H]4CC=C[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4CC=C[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO2/c1-19-9-8-18-12-4-3-5-15(18)21-17-14(20-2)7-6-11(16(17)18)10-13(12)19/h3,5-7,12-13,15H,4,8-10H2,1-2H3",C18H21NO2,,,,,,WGCZJYPFTQGLTI-SCGCMHLBSA-N,,,,,,,,,,,
100.012.602,213-861-4,1038-66-0,"Octafluoro-4,4'-biphenylenediamine","2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diamine",Nc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(N)c(F)c2F,Nc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(N)c(F)c2F,InChI=1/C12H4F8N2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H2,C12H4F8N2,,,,,,FWOLORXQTIGHFX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.749,209-622-9,588-62-5,Calcium cinnamate,calcium bis(3-phenylacrylate),[Ca+2].[O-]C(=O)\\C=C\\c1ccccc1.[O-]C(=O)\\C=C\\c2ccccc2,[Ca+2].[O-]C(=O)\C=C\c1ccccc1.[O-]C(=O)\C=C\c2ccccc2,"InChI=1/2C9H8O2.Ca/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/q;;+2/p-2",C9H8O2.1/2Ca,,,,,,FPCWKNLZGKFYTL-RWUXNGIBSA-L,,,,,,,,,,,
100.009.626,210-587-7,619-24-9,3-nitrobenzonitrile,3-nitrobenzonitrile,[O-][N+](=O)c1cccc(c1)C#N,[O-][N+](=O)c1cccc(c1)C#N,InChI=1/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,C7H4N2O2,,,,,,RUSAWEHOGCWOPG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.637,210-599-2,619-50-1,Methyl 4-nitrobenzoate,methyl 4-nitrobenzoate,COC(=O)c1ccc(cc1)[N+](=O)[O-],COC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3",C8H7NO4,,,,,,YOJAHJGBFDPSDI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.642,210-604-8,619-60-3,4-(dimethylamino)phenol,4-(dimethylamino)phenol,CN(C)c1ccc(O)cc1,CN(C)c1ccc(O)cc1,"InChI=1/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3",C8H11NO,,,,,,JVVRCYWZTJLJSG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.646,210-609-5,619-67-0,4-hydrazinobenzoic acid,4-hydrazinobenzoic acid,NNc1ccc(cc1)C(=O)O,NNc1ccc(cc1)C(=O)O,"InChI=1/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)",C7H8N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16877,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.646,PCNFLKVWBDNNOW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.648,210-611-6,619-73-8,4-nitrobenzyl alcohol,(4-nitrophenyl)methanol,OCc1ccc(cc1)[N+](=O)[O-],OCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2",C7H7NO3,,,,,,JKTYGPATCNUWKN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.652,210-615-8,619-84-1,4-dimethylaminobenzoic acid,4-(dimethylamino)benzoic acid,CN(C)c1ccc(cc1)C(=O)O,CN(C)c1ccc(cc1)C(=O)O,"InChI=1/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)",C9H11NO2,,,,,,YDIYEOMDOWUDTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.654,210-617-9,619-89-6,p-nitrocinnamic acid,3-(4-nitrophenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(cc1)[N+](=O)[O-],OC(=O)\C=C\c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)",C9H7NO4,,,,,,XMMRNCHTDONGRJ-ZZXKWVIFSA-N,,,,,,,,,,,
100.009.659,210-623-1,620-05-3,a-iodotoluene,(iodomethyl)benzene,ICc1ccccc1,ICc1ccccc1,"InChI=1/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7I,,,,,,XJTQJERLRPWUGL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.666,210-631-5,620-22-4,m-toluonitrile,3-methylbenzonitrile,Cc1cccc(c1)C#N,Cc1cccc(c1)C#N,"InChI=1/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3",C8H7N,,,,,,BOHCMQZJWOGWTA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.668,210-633-6,620-24-6,3-hydroxybenzyl alcohol,3-(hydroxymethyl)phenol,OCc1cccc(O)c1,OCc1cccc(O)c1,"InChI=1/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2",C7H8O2,,,,,,OKVJCVWFVRATSG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.674,210-639-9,620-42-8,Tri-p-tolyl phosphite,tris(4-methylphenyl) phosphite,Cc1ccc(OP(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1,Cc1ccc(OP(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1,"InChI=1/C21H21O3P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3",C21H21O3P,,,,,,FEVFLQDDNUQKRY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.913,208-703-6,538-74-9,Dibenzyl sulphide,"1,1'-[sulfanediylbis(methylene)]dibenzene",C(SCc1ccccc1)c2ccccc2,C(SCc1ccccc1)c2ccccc2,"InChI=1/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14S,,,,,,LUFPJJNWMYZRQE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.921,208-712-5,539-17-3,"4-[(4-aminophenyl)azo]-N,N-dimethylaniline","4-[(4-aminophenyl)diazenyl]-N,N-dimethylaniline",CN(C)c2ccc(N=Nc1ccc(N)cc1)cc2,CN(C)c2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3",C14H16N4,,,,,,BVRIUXYMUSKBHG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.927,208-718-8,539-47-9,3-(2-furyl)acrylic acid,3-(2-furyl)acrylic acid,OC(=O)\\C=C\\c1occc1,OC(=O)\C=C\c1occc1,"InChI=1/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)",C7H6O3,,,,,,ZCJLOOJRNPHKAV-ONEGZZNKSA-N,,,,,,,,,,,
100.007.929,208-720-9,539-57-1,4-(1H-tetrazol-5-yl)-1-tetrazene-1-carboxamidine,4-(1H-tetrazol-5-yl)tetraaz-1-ene-1-carboximidamide,NC(=N)N=NNNc1nnnn1,NC(=N)N=NNNc1nnnn1,"InChI=1/C2H6N10/c3-1(4)5-9-10-6-2-7-11-12-8-2/h(H4,3,4,5,10)(H2,6,7,8,9,11,12)",C2H6N10,,,,,,HACNVSXKTGSSTA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.941,208-734-5,540-08-9,Heptadecan-9-one,heptadecan-9-one,CCCCCCCCC(=O)CCCCCCCC,CCCCCCCCC(=O)CCCCCCCC,"InChI=1/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C17H34O,,,,,,WTJKUFMLQFLJOT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.946,208-739-2,540-18-1,Pentyl butyrate,pentyl butyrate,CCCCCOC(=O)CCC,CCCCCOC(=O)CCC,"InChI=1/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3",C9H18O2,,,,,,CFNJLPHOBMVMNS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.948,208-741-3,540-25-0,p-toluidine sulphate (1:1),-,Cc1ccc(N)cc1.[O-]S(=O)(=O)[O-],Cc1ccc(N)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C7H9N.H2O4S/c1-6-2-4-7(8)5-3-6;1-5(2,3)4/h2-5H,8H2,1H3;(H2,1,2,3,4)/p-2",C7H9N.H2O4S,,,,,,JWDHUQFIBCVYRH-UHFFFAOYSA-L,,,,,,,,,,,
100.007.950,208-743-4,540-37-4,4-iodoaniline,4-iodoaniline,Nc1ccc(I)cc1,Nc1ccc(I)cc1,"InChI=1/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",C6H6IN,,,,,,VLVCDUSVTXIWGW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.453,213-698-9,1003-04-9,Dihydrothiophen-3(2H)-one,dihydrothiophen-3(2H)-one,O=C1CCSC1,O=C1CCSC1,InChI=1/C4H6OS/c5-4-1-2-6-3-4/h1-3H2,C4H6OS,,,,,,DSXFPRKPFJRPIB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.463,213-709-7,1003-52-7,4-methyloxazole-5-carbonitrile,"4-methyl-1,3-oxazole-5-carbonitrile",Cc1ncoc1C#N,Cc1ncoc1C#N,"InChI=1/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3",C5H4N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1425,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.463,JZSLPQXOLZCAME-UHFFFAOYSA-N,,,,,,,,,,,
100.010.005,211-004-9,627-59-8,5-methylhexan-2-ol,5-methylhexan-2-ol,CC(C)CCC(C)O,CC(C)CCC(C)O,"InChI=1/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3",C7H16O,,,,,,ZDVJGWXFXGJSIU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.006,211-005-4,627-63-4,Fumaroyl chloride,but-2-enedioyl dichloride,ClC(=O)\\C=C\\C(=O)Cl,ClC(=O)\C=C\C(=O)Cl,InChI=1/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H,C4H2Cl2O2,,,,,,ZLYYJUJDFKGVKB-OWOJBTEDSA-N,,,,,,,,,,,
100.010.013,211-013-8,627-82-7,"3,3'-oxydi(propylene glycol)","3,3'-oxydipropane-1,2-diol",OCC(O)COCC(O)CO,OCC(O)COCC(O)CO,"InChI=1/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2",C6H14O5,,,,,,GPLRAVKSCUXZTP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.016,211-016-4,627-89-4,Isopentyl oleate,3-methylbutyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCC(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)OCCC(C)C,"InChI=1/C23H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)25-21-20-22(2)3/h11-12,22H,4-10,13-21H2,1-3H3",C23H44O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18387,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.016,PHUSOTFVZQDLMC-QXMHVHEDSA-N,,,,,,,,,,,
100.010.022,211-023-2,627-98-5,5-methylhexan-1-ol,5-methylhexan-1-ol,CC(C)CCCCO,CC(C)CCCCO,"InChI=1/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3",C7H16O,,,,,,ZVHAANQOQZVVFD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.023,211-024-8,628-02-4,Hexanamide,hexanamide,CCCCCC(=O)N,CCCCCC(=O)N,"InChI=1/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)",C6H13NO,,,,,,ALBYIUDWACNRRB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.026,211-027-4,628-13-7,Pyridinium chloride,pyridinium chloride,[Cl-].c1cc[nH+]cc1,[Cl-].c1cc[nH+]cc1,InChI=1/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H,C5H5N.ClH,,,,,,AOJFQRQNPXYVLM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.029,211-031-6,628-20-6,4-chlorobutyronitrile,4-chlorobutanenitrile,ClCCCC#N,ClCCCC#N,InChI=1/C4H6ClN/c5-3-1-2-4-6/h1-3H2,C4H6ClN,,,,,,ZFCFBWSVQWGOJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.035,211-037-9,628-34-2,2-chloroethyl ethyl ether,1-chloro-2-ethoxyethane,CCOCCCl,CCOCCCl,"InChI=1/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3",C4H9ClO,,,,,,GPTVQTPMFOLLOA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.036,211-038-4,628-35-3,2-hydroxyethyl formate,2-hydroxyethyl formate,OCCOC=O,OCCOC=O,"InChI=1/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2",C3H6O3,,,,,,UKQJDWBNQNAJHB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.038,211-041-0,628-37-5,Diethyl peroxide,"1,1'-dioxydiethane",CCOOCC,CCOOCC,"InChI=1/C4H10O2/c1-3-5-6-4-2/h3-4H2,1-2H3",C4H10O2,,,,,,RHMZKSWPMYAOAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.039,211-042-6,628-39-7,Diethyl diselenide,diethyldiselane,CC[Se][Se]CC,CC[Se][Se]CC,"InChI=1/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3",C4H10Se2,,,,,,OMAWWKIPXLIPDE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.041,211-044-7,628-44-4,2-methyloctan-2-ol,2-methyloctan-2-ol,CCCCCCC(C)(C)O,CCCCCCC(C)(C)O,"InChI=1/C9H20O/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3",C9H20O,,,,,,KBCNUEXDHWDIFX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.047,211-051-5,628-71-7,Hept-1-yne,hept-1-yne,CCCCCC#C,CCCCCC#C,"InChI=1/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3",C7H12,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18191,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.047,YVXHZKKCZYLQOP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.049,211-053-6,628-76-2,"1,5-dichloropentane","1,5-dichloropentane",ClCCCCCCl,ClCCCCCCl,InChI=1/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2,C5H10Cl2,,,,,,LBKDGROORAKTLC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.050,211-054-1,628-77-3,"1,5-diiodopentane","1,5-diiodopentane",ICCCCCI,ICCCCCI,InChI=1/C5H10I2/c6-4-2-1-3-5-7/h1-5H2,C5H10I2,,,,,,IAEOYUUPFYJXHN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.055,211-059-9,628-89-7,2-(2-chloroethoxy)ethanol,2-(2-chloroethoxy)ethanol,OCCOCCCl,OCCOCCCl,"InChI=1/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2",C4H9ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10550,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.055,LECMBPWEOVZHKN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.059,211-064-6,628-97-7,Ethyl palmitate,ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCCCCCC(=O)OCC,"InChI=1/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3",C18H36O2,,,,,,XIRNKXNNONJFQO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.733,212-906-5,879-39-0,"2,3,4,5-tetrachloronitrobenzene","1,2,3,4-tetrachloro-5-nitrobenzene",[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H,C6HCl4NO2,,,,,,MTBYTWZDRVOMBR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.737,212-910-7,879-97-0,"4-tert-butyl-2,6-xylenol","4-tert-butyl-2,6-dimethylphenol",Cc1cc(cc(C)c1O)C(C)(C)C,Cc1cc(cc(C)c1O)C(C)(C)C,"InChI=1/C12H18O/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7,13H,1-5H3",C12H18O,,,,,,MEPYMUOZRROULQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.037,213-240-8,931-71-5,"cis-cyclohexane-1,4-diol","cyclohexane-1,4-diol",O[C@@H]1CC[C@H](O)CC1,O[C@@H]1CC[C@H](O)CC1,"InChI=1/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2",C6H12O2,,,,,,VKONPUDBRVKQLM-OLQVQODUSA-N,,,,,,,,,,,
100.012.038,213-241-3,931-85-1,"5-amino-1,2,4-triazin-3(2H)-one","5-amino-1,2,4-triazin-3(2H)-one",NC1=NC(=O)NN=C1,NC1=NC(=O)NN=C1,"InChI=1/C3H4N4O/c4-2-1-5-7-3(8)6-2/h1H,(H3,4,6,7,8)",C3H4N4O,,,,,,SVXNJCYYMRMXNM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.039,213-242-9,931-86-2,"4-amino-1,3,5-triazin-2-one","4-amino-1,3,5-triazin-2(1H)-one",NC1=NC(=O)NC=N1,NC1=NC(=O)NC=N1,"InChI=1/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)",C3H4N4O,,,,,,MFEFTTYGMZOIKO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.040,213-243-4,931-87-3,(Z)-cyclooctene,cyclooctene,C1CCCC=CCC1,C1CCCC=CCC1,"InChI=1/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2",C8H14,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6839,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.040,URYYVOIYTNXXBN-UPHRSURJSA-N,,,,,,,,,,,
100.012.041,213-245-5,931-88-4,Cyclooctene,cyclooctene,C1CCCC=CCC1,C1CCCC=CCC1,"InChI=1/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2",C8H14,,,,,,URYYVOIYTNXXBN-UPHRSURJSA-N,,,,,,,,,,,
100.012.042,213-246-0,931-97-5,1-hydroxy-1-cyclohexanecarbonitrile,1-hydroxycyclohexanecarbonitrile,OC1(CCCCC1)C#N,OC1(CCCCC1)C#N,"InChI=1/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2",C7H11NO,,,,,,ZDBRPNZOTCHLSP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.052,213-257-0,932-69-4,Cobalt dibenzoate,cobalt(2+) dibenzoate,[Co+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Co+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Co/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Co,,,,,,GAYAMOAYBXKUII-UHFFFAOYSA-L,,,,,,,,,,,
100.009.580,210-536-9,617-89-0,Furfurylamine,1-(2-furyl)methanamine,NCc1occc1,NCc1occc1,"InChI=1/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2",C5H7NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11249,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.580,DDRPCXLAQZKBJP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.581,210-537-4,617-90-3,2-furonitrile,2-furonitrile,N#Cc1occc1,N#Cc1occc1,InChI=1/C5H3NO/c6-4-5-2-1-3-7-5/h1-3H,C5H3NO,,,,,,YXDXXGXWFJCXEB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.586,210-543-7,618-31-5,"Alpha,alpha-dibromotoluene",(dibromomethyl)benzene,BrC(Br)c1ccccc1,BrC(Br)c1ccccc1,"InChI=1/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H",C7H6Br2,,,,,,VCJZTATVUDMNLU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.587,210-544-2,618-32-6,Benzoyl bromide,benzoyl bromide,BrC(=O)c1ccccc1,BrC(=O)c1ccccc1,InChI=1/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H,C7H5BrO,,,,,,AQIHMSVIAGNIDM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.592,210-550-5,618-42-8,Methyl 1-piperidyl ketone,1-acetylpiperidine,CC(=O)N1CCCCC1,CC(=O)N1CCCCC1,"InChI=1/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3",C7H13NO,,,,,,KDISMIMTGUMORD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.597,210-555-2,618-51-9,3-iodobenzoic acid,3-iodobenzoic acid,OC(=O)c1cccc(I)c1,OC(=O)c1cccc(I)c1,"InChI=1/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",C7H5IO2,,,,,,KVBWBCRPWVKFQT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.608,210-567-8,618-87-1,"3,5-dinitroaniline","3,5-dinitroaniline",Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2",C6H5N3O4,,,,,,MPBZUKLDHPOCLS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.618,210-578-8,619-08-9,2-chloro-4-nitrophenol,2-chloro-4-nitrophenol,Oc1ccc(cc1Cl)[N+](=O)[O-],Oc1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H",C6H4ClNO3,,,,,,BOFRXDMCQRTGII-UHFFFAOYSA-N,,,,,,,,,,,
100.009.621,210-581-4,619-15-8,"2,5-dinitrotoluene","2-methyl-1,4-dinitrobenzene",Cc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],Cc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3",C7H6N2O4,,,,,,KZBOXYKTSUUBTO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.628,211-689-4,686-69-1,Chlorodiethylphosphine,diethylphosphinous chloride,CCP(Cl)CC,CCP(Cl)CC,"InChI=1/C4H10ClP/c1-3-6(5)4-2/h3-4H2,1-2H3",C4H10ClP,,,,,,INJBDKCHQWVDGT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.440,211-482-9,651-55-8,"Estra-1,3,5(10),7-tetraene-3,17a-diol","estra-1,3,5(10),7-tetraene-3,17-diol",C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CC[C@H]2O,C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CC[C@H]2O,"InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3",C18H22O2,,,,,,NLLMJANWPUQQTA-SPUZQDLCSA-N,,,,,,,,,,,
100.010.442,211-485-5,652-12-0,Tetrafluorophthalic anhydride,"4,5,6,7-tetrafluoro-2-benzofuran-1,3-dione",Fc1c(F)c(F)c2C(=O)OC(=O)c2c1F,Fc1c(F)c(F)c2C(=O)OC(=O)c2c1F,InChI=1/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,C8F4O3,,,,,,BJDDKZDZTHIIJB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.444,211-487-6,652-29-9,"2',3',4',5',6'-pentafluoroacetophenone",1-(pentafluorophenyl)ethanone,CC(=O)c1c(F)c(F)c(F)c(F)c1F,CC(=O)c1c(F)c(F)c(F)c(F)c1F,InChI=1/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3,C8H3F5O,,,,,,FBGHCYZBCMDEOX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.446,211-489-7,652-36-8,"2,3,5,6-tetrafluoroterephthalic acid","2,3,5,6-tetrafluoroterephthalic acid",OC(=O)c1c(F)c(F)c(C(=O)O)c(F)c1F,OC(=O)c1c(F)c(F)c(C(=O)O)c(F)c1F,"InChI=1/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)",C8H2F4O4,,,,,,WFNRNCNCXRGUKN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.603,213-863-5,1038-95-5,Tris(4-methylphenyl)phosphine,tris(4-methylphenyl)phosphine,Cc1ccc(cc1)P(c2ccc(C)cc2)c3ccc(C)cc3,Cc1ccc(cc1)P(c2ccc(C)cc2)c3ccc(C)cc3,"InChI=1/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3",C21H21P,,,,,,WXAZIUYTQHYBFW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.609,213-869-8,1042-35-9,1-benzyl-4-(cyclohexylamino)piperidine-4-carboxamide,1-benzyl-4-(cyclohexylamino)piperidine-4-carboxamide,NC(=O)C1(CCN(Cc2ccccc2)CC1)NC3CCCCC3,NC(=O)C1(CCN(Cc2ccccc2)CC1)NC3CCCCC3,"InChI=1/C19H29N3O/c20-18(23)19(21-17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,17,21H,2,5-6,9-15H2,(H2,20,23)",C19H29N3O,,,,,,WVWNBANESWUIBO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.625,213-887-6,1050-79-9,Moperone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one,Cc1ccc(cc1)C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2,Cc1ccc(cc1)C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2,"InChI=1/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3",C22H26FNO2,,,,,,AGAHNABIDCTLHW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.627,213-889-7,1054-00-8,3-ethyl-2-[2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]benzoxazolium iodide,"3-ethyl-2-{2-[(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4ccccc4oc3C=C(CC)C=C2Oc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4oc3C=C(CC)C=C2Oc1ccccc1N2CC,"InChI=1/C23H25N2O2.HI/c1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;/h7-16H,4-6H2,1-3H3;1H/q+1;/p-1",C23H25N2O2.I,,,,,,HHGMBQLZDCLPTL-UHFFFAOYSA-M,,,,,,,,,,,
100.012.410,213-651-2,998-40-3,Tributylphosphine,tributylphosphine,CCCCP(CCCC)CCCC,CCCCP(CCCC)CCCC,"InChI=1/C12H27P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18531,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.410,TUQOTMZNTHZOKS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.413,213-654-9,999-01-9,"O,O-diethyl thiophosphonate","O,O-diethyl phosphonothioate",CCOP(=S)OCC,CCOP(=S)OCC,"InChI=1/C4H11O2PS/c1-3-5-7(8)6-4-2/h7H,3-4H2,1-2H3",C4H11O2PS,,,,,,KZRRLRUEAGCJRA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.415,213-657-5,999-07-5,4-chlorooctane,4-chlorooctane,CCCCC(Cl)CCC,CCCCC(Cl)CCC,"InChI=1/C8H17Cl/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3",C8H17Cl,,,,,,SRGMFDQMGOZQPO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.416,213-658-0,999-21-3,Diallyl maleate,diallyl but-2-enedioate,C=CCOC(=O)\\C=C/C(=O)OCC=C,C=CCOC(=O)\C=C/C(=O)OCC=C,"InChI=1/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2",C10H12O4,,,,,,ZPOLOEWJWXZUSP-WAYWQWQTSA-N,,,,,,,,,,,
100.012.421,213-663-8,999-61-1,2-hydroxypropyl acrylate,2-hydroxypropyl acrylate,CC(O)COC(=O)C=C,CC(O)COC(=O)C=C,"InChI=1/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3",C6H10O3,,,,,,GWZMWHWAWHPNHN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.422,213-664-3,999-64-4,3-bromooctane,3-bromooctane,CCCCCC(Br)CC,CCCCCC(Br)CC,"InChI=1/C8H17Br/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3",C8H17Br,,,,,,OELHQHILWOIUSL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.428,213-671-1,1000-56-2,Sodium propyl sulphate,sodium propyl sulfate,[Na+].CCCOS(=O)(=O)[O-],[Na+].CCCOS(=O)(=O)[O-],"InChI=1/C3H8O4S.Na/c1-2-3-7-8(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1",C3H8O4S.Na,,,,,,CEHCOJSZSZWUIG-UHFFFAOYSA-M,,,,,,,,,,,
100.012.436,213-680-0,1000-90-4,"Zinc O,O'-diisopropyl bis[dithiocarbonate]",zinc bis(O-isopropyl dithiocarbonate),CC(C)OC(=S)S[Zn]SC(=S)OC(C)C,CC(C)OC(=S)S[Zn]SC(=S)OC(C)C,"InChI=1/2C4H8OS2.Zn/c2*1-3(2)5-4(6)7;/h2*3H,1-2H3,(H,6,7);/q;;+2/p-2/rC8H14O2S4Zn/c1-5(2)9-7(11)13-15-14-8(12)10-6(3)4/h5-6H,1-4H3",C4H8OS2.1/2Zn,,,,,,SZNCKQHFYDCMLZ-UHFFFAOYSA-L,,,,,,,,,,,
100.012.439,213-683-7,1001-89-4,2-chloroheptane,2-chloroheptane,CCCCCC(C)Cl,CCCCCC(C)Cl,"InChI=1/C7H15Cl/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3",C7H15Cl,,,,,,PTSLUOSUHFGQHV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.448,213-693-1,1002-84-2,Pentadecanoic acid,pentadecanoic acid,CCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCC(=O)O,"InChI=1/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)",C15H30O2,,,,,,WQEPLUUGTLDZJY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.450,213-695-2,1002-89-7,Ammonium stearate,ammonium stearate,[NH4+].CCCCCCCCCCCCCCCCCC(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H3",C18H36O2.H3N,,,,,,JPNZKPRONVOMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.457,213-702-9,1003-18-5,"1-chloro-2,3-dihydro-1H-phosphole 1-oxide","1-chloro-2,3-dihydro-1H-phosphole 1-oxide",ClP1(=O)CCC=C1,ClP1(=O)CCC=C1,"InChI=1/C4H6ClOP/c5-7(6)3-1-2-4-7/h1,3H,2,4H2",C4H6ClOP,,,,,,HUSTZVJBPMIGEX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.014,211-014-3,627-83-8,Ethylene distearate,"ethane-1,2-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C38H74O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10129,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.014,FPVVYTCTZKCSOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.017,211-018-5,627-90-7,Ethyl undecanoate,ethyl undecanoate,CCCCCCCCCCC(=O)OCC,CCCCCCCCCCC(=O)OCC,"InChI=1/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3",C13H26O2,,,,,,IAFQYUQIAOWKSB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.951,208-745-5,540-38-5,4-iodophenol,4-iodophenol,Oc1ccc(I)cc1,Oc1ccc(I)cc1,"InChI=1/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H",C6H5IO,,,,,,VSMDINRNYYEDRN-UHFFFAOYSA-N,Negative,,,,,,SM805752,[M-H]-,HCD35,126.9047:218.9313,CASMI_2016
100.007.952,208-746-0,540-42-1,Isobutyl propionate,isobutyl propionate,CCC(=O)OCC(C)C,CCC(=O)OCC(C)C,"InChI=1/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3",C7H14O2,,,,,,FZXRXKLUIMKDEL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.955,208-749-7,540-54-5,1-chloropropane,1-chloropropane,CCCCl,CCCCl,"InChI=1/C3H7Cl/c1-2-3-4/h2-3H2,1H3",C3H7Cl,,,,,,SNMVRZFUUCLYTO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.967,208-762-8,540-97-6,Dodecamethylcyclohexasiloxane,dodecamethylcyclohexasiloxane,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3",C12H36O6Si6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15811,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.967,IUMSDRXLFWAGNT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.891,209-778-8,592-94-9,Octyl fluoride,1-fluorooctane,CCCCCCCCF,CCCCCCCCF,"InChI=1/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",C8H15FO,,,,,,DHIVLKMGKIZOHF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.897,209-785-6,593-26-0,Ammonium palmitate,ammonium palmitate,[NH4+].CCCCCCCCCCCCCCCC(=O)[O-],[NH4+].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C16H32O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);1H3",C16H32O2.H3N,,,,,,LRIHKZMLMWYPFS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.898,209-786-1,593-29-3,Potassium stearate,potassium stearate,[K+].CCCCCCCCCCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",C18H36O2.K,,,,,,ANBFRLKBEIFNQU-UHFFFAOYSA-M,,,,,,,,,,,
100.008.899,209-787-7,593-31-7,"(Z)-3-(9-octadecenyloxy)propane-1,2-diol","3-(octadec-9-en-1-yloxy)propane-1,2-diol",CCCCCCCC\\C=C/CCCCCCCCOCC(O)CO,CCCCCCCC\C=C/CCCCCCCCOCC(O)CO,"InChI=1/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h9-10,21-23H,2-8,11-20H2,1H3",C21H42O3,,,,,,NRWMBHYHFFGEEC-KTKRTIGZSA-N,,,,,,,,,,,
100.008.901,209-789-8,593-39-5,(Z)-octadec-6-enoic acid,octadec-6-enoic acid,CCCCCCCCCCC\\C=C/CCCCC(=O)O,CCCCCCCCCCC\C=C/CCCCC(=O)O,"InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)",C18H34O2,,,,,,CNVZJPUDSLNTQU-SEYXRHQNSA-N,,,,,,,,,,,
100.008.902,209-790-3,593-45-3,Octadecane,octadecane,CCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC,"InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",C18H38,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5654,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.902,RZJRJXONCZWCBN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.905,209-794-5,593-50-0,Triacontan-1-ol,triacontan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3",C30H62O,,,,,,REZQBEBOWJAQKS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.906,209-795-0,593-51-1,Methylammonium chloride,methanaminium chloride,[Cl-].C[NH3+],[Cl-].C[NH3+],"InChI=1/CH5N.ClH/c1-2;/h2H2,1H3;1H",CH5N.ClH,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17443,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.906,NQMRYBIKMRVZLB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.921,209-811-6,593-82-8,"1,1-dimethylhydrazine monohydrochloride","1,1-dimethylhydrazine hydrochloride",Cl.CN(C)N,Cl.CN(C)N,"InChI=1/C2H8N2.ClH/c1-4(2)3;/h3H2,1-2H3;1H",C2H8N2.ClH,,,,,,VFQADAFGYKTPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.922,209-812-1,593-84-0,Guanidinium thiocyanate,amino(imino)methanaminium thiocyanate,NC(=N)[NH3+].[S-]C#N,NC(=N)[NH3+].[S-]C#N,"InChI=1/CH5N3.CHNS/c2-1(3)4;2-1-3/h(H5,2,3,4);3H",CH5N3.CHNS,,,,,,ZJYYHGLJYGJLLN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.925,209-815-8,593-88-4,Trimethylarsine,trimethylarsine,C[As](C)C,C[As](C)C,InChI=1/C3H9As/c1-4(2)3/h1-3H3,C3H9As,,,,,,HTDIUWINAKAPER-UHFFFAOYSA-N,,,,,,,,,,,
100.008.929,209-820-5,593-96-4,1-bromo-1-chloroethane,1-bromo-1-chloroethane,CC(Cl)Br,CC(Cl)Br,"InChI=1/C2H4BrCl/c1-2(3)4/h2H,1H3",C2H4BrCl,,,,,,QMSVNDSDEZTYAS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.930,209-821-0,594-02-5,"1,1-diiodoethane","1,1-diiodoethane",CC(I)I,CC(I)I,"InChI=1/C2H4I2/c1-2(3)4/h2H,1H3",C2H4I2,,,,,,JNVXRQOSRUDXDY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.931,209-822-6,594-08-1,Trithiocarbonic acid,carbonotrithioic acid,SC(=S)S,SC(=S)S,"InChI=1/CH2S3/c2-1(3)4/h(H2,2,3,4)",CH2S3,,,,,,HIZCIEIDIFGZSS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.935,209-826-8,594-14-9,Bisguanidinium sulphate,bis[amino(imino)methanaminium] sulfate,NC(=N)[NH3+].NC(=N)[NH3+].[O-]S(=O)(=O)[O-],NC(=N)[NH3+].NC(=N)[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2CH5N3.H2O4S/c2*2-1(3)4;1-5(2,3)4/h2*(H5,2,3,4);(H2,1,2,3,4)",CH5N3.1/2H2O4S,,,,,,UYAKTBUPMOOXNW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.943,209-835-7,594-34-3,"1,2-dibromo-2-methylpropane","1,2-dibromo-2-methylpropane",CC(C)(Br)CBr,CC(C)(Br)CBr,"InChI=1/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3",C4H8Br2,,,,,,SDTXSEXYPROZSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.741,212-914-9,880-52-4,"N-tricyclo[3.3.1.13,7]dec-1-ylacetamide",N-adamantan-1-ylacetamide,CC(=O)NC12CC3CC(CC(C3)C1)C2,CC(=O)NC12CC3CC(CC(C3)C1)C2,"InChI=1/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)",C12H19NO,,,,,,BCVXYGJCDZPKGV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.745,212-919-6,881-07-2,2-methyl-8-nitroquinoline,2-methyl-8-nitroquinoline,Cc1ccc2cccc(c2n1)[N+](=O)[O-],Cc1ccc2cccc(c2n1)[N+](=O)[O-],"InChI=1/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3",C10H8N2O2,,,,,,UHPGVDHXHDPYQP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.746,212-920-1,881-68-5,4-formyl-2-methoxyphenyl acetate,4-formyl-2-methoxyphenyl acetate,COc1cc(C=O)ccc1OC(=O)C,COc1cc(C=O)ccc1OC(=O)C,"InChI=1/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3",C10H10O4,,,,,,PZSJOBKRSVRODF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.749,212-923-8,881-99-2,"1,3-bis(trichloromethyl)benzene","1,3-bis(trichloromethyl)benzene",ClC(Cl)(Cl)c1cccc(c1)C(Cl)(Cl)Cl,ClC(Cl)(Cl)c1cccc(c1)C(Cl)(Cl)Cl,"InChI=1/C8H4Cl6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H",C8H4Cl6,,,,,,GGZIUXGYCNYNNV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.754,212-929-0,882-59-7,"2,2-diphenyloxirane","2,2-diphenyloxirane",C1OC1(c2ccccc2)c3ccccc3,C1OC1(c2ccccc2)c3ccccc3,"InChI=1/C14H12O/c1-3-7-12(8-4-1)14(11-15-14)13-9-5-2-6-10-13/h1-10H,11H2",C14H12O,,,,,,PRLJMHVNHLTQJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.755,212-930-6,883-20-5,9-methylphenanthrene,9-methylphenanthrene,Cc1cc2ccccc2c3ccccc13,Cc1cc2ccccc2c3ccccc13,"InChI=1/C15H12/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h2-10H,1H3",C15H12,,,,,,DALBHIYZSZZWBS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.756,212-931-1,883-44-3,N-(3-hydroxypropyl)phthalimide,"2-(3-hydroxypropyl)-1H-isoindole-1,3(2H)-dione",OCCCN1C(=O)c2ccccc2C1=O,OCCCN1C(=O)c2ccccc2C1=O,"InChI=1/C11H11NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,13H,3,6-7H2",C11H11NO3,,,,,,BSMILTTURCQDGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.757,212-932-7,883-62-5,3-methoxy-2-naphthoic acid,3-methoxy-2-naphthoic acid,COc1cc2ccccc2cc1C(=O)O,COc1cc2ccccc2cc1C(=O)O,"InChI=1/C12H10O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3,(H,13,14)",C12H10O3,,,,,,RTBQQRFTCVDODF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.768,212-944-2,885-70-1,"5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one","5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one",O=C1Nc2cccnc2Nc3ccccc13,O=C1Nc2cccnc2Nc3ccccc13,"InChI=1/C12H9N3O/c16-12-8-4-1-2-5-9(8)14-11-10(15-12)6-3-7-13-11/h1-7H,(H,13,14)(H,15,16)",C12H9N3O,,,,,,MIRBIZDDMSFTKY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.770,212-946-3,885-82-5,"3-nitro[1,1'-biphenyl]-4-ol",3-nitrobiphenyl-4-ol,Oc1ccc(cc1[N+](=O)[O-])c2ccccc2,Oc1ccc(cc1[N+](=O)[O-])c2ccccc2,"InChI=1/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H",C12H9NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12297,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.770,JDDNJJBXFOLPKX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.771,212-947-9,886-06-6,1-(2-benzoylethyl)piperidinium chloride,1-(3-oxo-3-phenylpropyl)piperidinium chloride,[Cl-].O=C(CC[NH+]1CCCCC1)c2ccccc2,[Cl-].O=C(CC[NH+]1CCCCC1)c2ccccc2,"InChI=1/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H",C14H19NO.ClH,,,,,,XIROGEVVNHGHFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.633,213-896-5,1059-86-5,"Cholesta-5,7-dien-3-ß-yl acetate","cholesta-5,7-dien-3-yl acetate",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-20,23,25-27H,7-9,12-18H2,1-6H3",C29H46O2,,,,,,ACGNVBRAISEVDK-RPIQFHTISA-N,,,,,,,,,,,
100.012.642,213-905-2,1065-95-8,Octaphenylcyclotetrasilane,octaphenyltetrasiletane,c1ccc(cc1)[Si]2(c3ccccc3)[Si](c4ccccc4)(c5ccccc5)[Si](c6ccccc6)(c7ccccc7)[Si]2(c8ccccc8)c9ccccc9,c1ccc(cc1)[Si]2(c3ccccc3)[Si](c4ccccc4)(c5ccccc5)[Si](c6ccccc6)(c7ccccc7)[Si]2(c8ccccc8)c9ccccc9,"InChI=1/C48H40Si4/c1-9-25-41(26-10-1)49(42-27-11-2-12-28-42)50(43-29-13-3-14-30-43,44-31-15-4-16-32-44)52(47-37-21-7-22-38-47,48-39-23-8-24-40-48)51(49,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H",C48H40Si4,,,,,,MHBOFSJQAKACCM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.646,213-909-4,1066-30-4,Chromium triacetate,chromium(3+) triacetate,[Cr+3].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O,[Cr+3].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O,"InChI=1/3C2H4O2.Cr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Cr,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18608,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.646,WYYQVWLEPYFFLP-UHFFFAOYSA-K,,,,,,,,,,,
100.012.651,213-915-7,1066-42-8,Dimethylsilanediol,dimethylsilanediol,C[Si](C)(O)O,C[Si](C)(O)O,"InChI=1/C2H8O2Si/c1-5(2,3)4/h3-4H,1-2H3",C2H8O2Si,,,,,,XCLIHDJZGPCUBT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.653,213-917-8,1066-45-1,Trimethyltin chloride,trimethylstannanylium chloride,[Cl-].C[Sn+](C)C,[Cl-].C[Sn+](C)C,InChI=1/3CH3.ClH.Sn/h3*1H3;1H;/q;;;;+1/p-1/rC3H9Sn.ClH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1,C3H9ClSn,,,,,,KWTSZCJMWHGPOS-UHFFFAOYSA-M,,,,,,,,,,,
100.012.655,213-919-9,1066-54-2,Trimethylsilylacetylene,ethynyl(trimethyl)silane,C[Si](C)(C)C#C,C[Si](C)(C)C#C,"InChI=1/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3",C5H10Si,,,,,,CWMFRHBXRUITQE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.448,211-491-8,652-39-1,3-fluorophthalic anhydride,"4-fluoro-2-benzofuran-1,3-dione",Fc1cccc2C(=O)OC(=O)c12,Fc1cccc2C(=O)OC(=O)c12,InChI=1/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,C8H3FO3,,,,,,WWJAZKZLSDRAIV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.450,211-493-9,653-03-2,Butaperazine,1-{10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazin-2-yl}butan-1-one,CCCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,CCCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,"InChI=1/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3",C24H31N3OS,,,,,,DVLBYTMYSMAKHP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.452,211-496-5,653-14-5,"Lithium 3,5-diiodosalicylate","lithium 2-hydroxy-3,5-diiodobenzoate",[Li+].Oc1c(I)cc(I)cc1C(=O)[O-],[Li+].Oc1c(I)cc(I)cc1C(=O)[O-],"InChI=1/C7H4I2O3.Li/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1",C7H4I2O3.Li,,,,,,HLBRJWWTLIAOTE-UHFFFAOYSA-M,,,,,,,,,,,
100.010.456,211-500-5,653-34-9,"2,3,4,5,6-pentafluorostyrene","1,2,3,4,5-pentafluoro-6-vinylbenzene",Fc1c(F)c(F)c(C=C)c(F)c1F,Fc1c(F)c(F)c(C=C)c(F)c1F,"InChI=1/C8H3F5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2",C8H3F5,,,,,,LVJZCPNIJXVIAT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.457,211-501-0,653-35-0,(chloromethyl)pentafluorobenzene,"1-(chloromethyl)-2,3,4,5,6-pentafluorobenzene",Fc1c(F)c(F)c(CCl)c(F)c1F,Fc1c(F)c(F)c(CCl)c(F)c1F,InChI=1/C7H2ClF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2,C7H2ClF5,,,,,,ZLNVRXFZTPRLIK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.458,211-502-6,653-37-2,Pentafluorobenzaldehyde,pentafluorobenzaldehyde,Fc1c(F)c(F)c(C=O)c(F)c1F,Fc1c(F)c(F)c(C=O)c(F)c1F,InChI=1/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H,C7HF5O,,,,,,QJXCFMJTJYCLFG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.461,211-505-2,654-42-2,"2,6-dimethylhydroquinone","2,6-dimethylbenzene-1,4-diol",Cc1cc(O)cc(C)c1O,Cc1cc(O)cc(C)c1O,"InChI=1/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3",C8H10O2,,,,,,SGWZVZZVXOJRAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.462,211-506-8,654-62-6,"5-amino-a,a,a-trifluorotoluene-2,4-disulphonamide","4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide",Nc1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F,Nc1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F,"InChI=1/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)",C7H8F3N3O4S2,,,,,,KRVABEGPNKGLOT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.464,211-508-9,655-14-1,"2,5-difluoroterephthalic acid","2,5-difluoroterephthalic acid",OC(=O)c1cc(F)c(cc1F)C(=O)O,OC(=O)c1cc(F)c(cc1F)C(=O)O,"InChI=1/C8H4F2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)",C8H4F2O4,,,,,,LWKOWFVDUSZDRA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.468,211-513-6,656-31-5,(2-fluorophenyl)urea,1-(2-fluorophenyl)urea,NC(=O)Nc1ccccc1F,NC(=O)Nc1ccccc1F,"InChI=1/C7H7FN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)",C7H7FN2O,,,,,,PAWVOCWEWJXILY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.475,211-520-4,657-78-3,N-[3-(trifluoromethyl)phenyl]formamide,N-[3-(trifluoromethyl)phenyl]formamide,FC(F)(F)c1cccc(NC=O)c1,FC(F)(F)c1cccc(NC=O)c1,"InChI=1/C8H6F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-5H,(H,12,13)",C8H6F3NO,,,,,,PPECHNDWLRNHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.478,211-524-6,658-78-6,4-nitrophenyl trifluoroacetate,4-nitrophenyl trifluoroacetate,[O-][N+](=O)c1ccc(OC(=O)C(F)(F)F)cc1,[O-][N+](=O)c1ccc(OC(=O)C(F)(F)F)cc1,"InChI=1/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H",C8H4F3NO4,,,,,,JFOIBTLTZWOAIC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.481,211-527-2,658-93-5,"3,4-difluorophenylacetic acid","(3,4-difluorophenyl)acetic acid",OC(=O)Cc1ccc(F)c(F)c1,OC(=O)Cc1ccc(F)c(F)c1,"InChI=1/C8H6F2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6F2O2,,,,,,YCAKYFIYUHHCKW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.482,211-528-8,658-99-1,"(3,4-difluorophenyl)acetonitrile","(3,4-difluorophenyl)acetonitrile",Fc1ccc(CC#N)cc1F,Fc1ccc(CC#N)cc1F,"InChI=1/C8H5F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2",C8H5F2N,,,,,,GNPYERUNJMDEFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.224,212-346-1,795-18-6,Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-ß-alaninate,ethyl N-benzyl-N-(2-ethoxy-2-oxoethyl)-beta-alaninate,CCOC(=O)CCN(CC(=O)OCC)Cc1ccccc1,CCOC(=O)CCN(CC(=O)OCC)Cc1ccccc1,"InChI=1/C16H23NO4/c1-3-20-15(18)10-11-17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3",C16H23NO4,,,,,,JWYHGTSTWMQTHS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.232,212-355-0,803-19-0,"4,4'-(phenylphosphinylidene)dibenzoic acid","4,4'-(phenylphosphoryl)dibenzoic acid",OC(=O)c1ccc(cc1)P(=O)(c2ccccc2)c3ccc(cc3)C(=O)O,OC(=O)c1ccc(cc1)P(=O)(c2ccccc2)c3ccc(cc3)C(=O)O,"InChI=1/C20H15O5P/c21-19(22)14-6-10-17(11-7-14)26(25,16-4-2-1-3-5-16)18-12-8-15(9-13-18)20(23)24/h1-13H,(H,21,22)(H,23,24)",C20H15O5P,,,,,,UVTXHAOLTBFLDL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.019,211-020-6,627-93-0,Dimethyl adipate,dimethyl adipate,COC(=O)CCCCC(=O)OC,COC(=O)CCCCC(=O)OC,"InChI=1/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3",C8H14O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14132,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.019,UDSFAEKRVUSQDD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.020,211-021-1,627-95-2,4-carboxybutylammonium chloride,4-carboxybutan-1-aminium chloride,[Cl-].[NH3+]CCCCC(=O)O,[Cl-].[NH3+]CCCCC(=O)O,"InChI=1/C5H11NO2.ClH/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H",C5H11NO2.ClH,,,,,,BLOIUFYKQCCAGP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.027,211-029-5,628-16-0,"Hexa-1,5-diyne","hexa-1,5-diyne",C#CCCC#C,C#CCCC#C,"InChI=1/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2",C6H6,,,,,,YFIBSNDOVCWPBL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.028,211-030-0,628-17-1,1-iodopentane,1-iodopentane,CCCCCI,CCCCCI,"InChI=1/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3",C5H11I,,,,,,BLXSFCHWMBESKV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.048,211-052-0,628-73-9,Hexanenitrile,hexanenitrile,CCCCCC#N,CCCCCC#N,"InChI=1/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3",C6H11N,,,,,,AILKHAQXUAOOFU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.051,211-055-7,628-81-9,Butyl ethyl ether,1-ethoxybutane,CCCCOCC,CCCCOCC,"InChI=1/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3",C6H14O,,,,,,PZHIWRCQKBBTOW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.056,211-060-4,628-92-2,Cycloheptene,cycloheptene,C1CCC=CCC1,C1CCC=CCC1,"InChI=1/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2",C7H12,,,,,,ZXIJMRYMVAMXQP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.058,211-063-0,628-96-6,Ethylene dinitrate,"ethane-1,2-diyl dinitrate",[O-][N+](=O)OCCO[N+](=O)[O-],[O-][N+](=O)OCCO[N+](=O)[O-],InChI=1/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,C2H4N2O6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14151,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.058,UQXKXGWGFRWILX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.743,212-917-5,881-03-8,2-methyl-1-nitronaphthalene,2-methyl-1-nitronaphthalene,Cc1ccc2ccccc2c1[N+](=O)[O-],Cc1ccc2ccccc2c1[N+](=O)[O-],"InChI=1/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3",C11H9NO2,,,,,,IZNWACYOILBFEG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.744,212-918-0,881-04-9,9H-fluoren-9-yllithium,9H-fluoren-9-yllithium,[Li]C1c2ccccc2c3ccccc13,[Li]C1c2ccccc2c3ccccc13,"InChI=1/C13H9.Li/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h1-9H;/rC13H9Li/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H",C13H9Li,,,,,,AMYVJTAMFWGYHI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.751,212-925-9,882-09-7,2-(p-chlorophenoxy)-2-methylpropionic acid,2-(4-chlorophenoxy)-2-methylpropanoic acid,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,"InChI=1/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)",C10H11ClO3,,,,,,TXCGAZHTZHNUAI-UHFFFAOYSA-N,Positive/Negative,EA020401|EA020403|EA020404|EA020409|EA020411|EA020413,[M+H]+,CID35|HCD30|HCD45|HCD30|HCD60|HCD90,159.0308:169.0171:77.0384|159.0309:77.0385:105.0448|77.0387:105.045:95.0496|159.0301:77.0384:169.0171|105.0447:53.0385:77.0385|77.0384:53.0386:105.0446,Eawag,SM854751;EA020451|EA020452|EA020453|EA020454|EA020455|EA020456|EA020457|EA020458|EA020459|EA020460|EA020461|EA020462|EA020463,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,126.9953:213.0325;126.9959:85.0297:213.0447|126.9955:213.0324:85.0296|126.9959:85.0297|126.9955:85.0296:213.0436|126.9957:85.0293|126.9957|126.9955|126.9956:213.032:85.0295|126.9957:85.0295|126.9959|126.9957:85.0296|126.9958|126.9954,CASMI_2016;Eawag
100.011.753,212-928-5,882-36-0,N-benzylacetoacetamide,N-benzyl-3-oxobutanamide,CC(=O)CC(=O)NCc1ccccc1,CC(=O)CC(=O)NCc1ccccc1,"InChI=1/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)",C11H13NO2,,,,,,KOHNUEXAOQRRPI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.760,212-935-3,883-93-2,2-phenylbenzothiazole,"2-phenyl-1,3-benzothiazole",c1ccc(cc1)c2nc3ccccc3s2,c1ccc(cc1)c2nc3ccccc3s2,InChI=1/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,C13H9NS,,,,,,XBHOUXSGHYZCNH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.763,212-939-5,884-89-9,"5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane 2-oxide","5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphinane 2-oxide",CC1(C)COP(=O)(Oc2ccccc2)OC1,CC1(C)COP(=O)(Oc2ccccc2)OC1,"InChI=1/C11H15O4P/c1-11(2)8-13-16(12,14-9-11)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",C11H15O4P,,,,,,VSKVZTVOVPEFOH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.766,212-942-1,885-19-8,"1,4-dihydroanthraquinone","1,4-dihydroanthracene-9,10-dione",O=C1C2=C(CC=CC2)C(=O)c3ccccc13,O=C1C2=C(CC=CC2)C(=O)c3ccccc13,"InChI=1/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6H,7-8H2",C14H10O2,,,,,,ZVALGBPJYGUWIS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.776,212-953-1,886-66-8,"1,1'-(1,3-butadiyne-1,4-diyl)bisbenzene","1,1'-buta-1,3-diyne-1,4-diyldibenzene",c1ccc(cc1)C#CC#Cc2ccccc2,c1ccc(cc1)C#CC#Cc2ccccc2,"InChI=1/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H",C16H10,,,,,,HMQFJYLWNWIYKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.631,213-893-9,1057-86-9,4'-fluoro-4-[4-(o-methoxyphenyl)piperazin-1-yl]butyrophenone dihydrogen phosphate,1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one phosphate,OP(O)(=O)O.Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccc3OC,OP(O)(=O)O.Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccc3OC,"InChI=1/C21H25FN2O2.H3O4P/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17;1-5(2,3)4/h2-3,5,7-11H,4,6,12-16H2,1H3;(H3,1,2,3,4)",C21H25FN2O2.H3O4P,,,,,,ZOJCVJVTZBRZQU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.634,213-897-0,1061-54-7,"(20R,25R)-spirost-5-en-3ß-yl acetate",spirost-5-en-3-yl acetate,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@H]2C)OC(=O)C,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@H]2C)OC(=O)C,"InChI=1/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3",C29H44O4,,,,,,CZCROZIJKBXZDP-FOSYGCPLSA-N,,,,,,,,,,,
100.008.944,209-836-2,594-36-5,2-chloro-2-methylbutane,2-chloro-2-methylbutane,CCC(C)(C)Cl,CCC(C)(C)Cl,"InChI=1/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3",C5H11Cl,,,,,,CRNIHJHMEQZAAS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.258,206-883-0,392-95-0,"2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene","2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene",[O-][N+](=O)c1cc(c(Cl)c(c1)C(F)(F)F)[N+](=O)[O-],[O-][N+](=O)c1cc(c(Cl)c(c1)C(F)(F)F)[N+](=O)[O-],"InChI=1/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H",C7H2ClF3N2O4,,,,,,RLXKADBMLQPLDV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.260,206-885-1,393-36-2,"4-bromo-a,a,a-trifluoro-m-toluidine",4-bromo-3-(trifluoromethyl)aniline,Nc1ccc(Br)c(c1)C(F)(F)F,Nc1ccc(Br)c(c1)C(F)(F)F,"InChI=1/C7H5BrF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2",C7H5BrF3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18221,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.260,YGNISOAUPSJDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.263,206-888-8,393-55-5,2-fluoronicotinic acid,2-fluoronicotinic acid,OC(=O)c1cccnc1F,OC(=O)c1cccnc1F,"InChI=1/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)",C6H4FNO2,,,,,,LLLVHTWJGWNRBD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.267,206-893-5,394-32-1,1-(5-fluoro-2-hydroxyphenyl)ethan-1-one,1-(5-fluoro-2-hydroxyphenyl)ethanone,CC(=O)c1cc(F)ccc1O,CC(=O)c1cc(F)ccc1O,"InChI=1/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3",C8H7FO2,,,,,,KOFFXZYMDLWRHX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.268,206-894-0,394-35-4,Methyl 2-fluorobenzoate,methyl 2-fluorobenzoate,COC(=O)c1ccccc1F,COC(=O)c1ccccc1F,"InChI=1/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3",C8H7FO2,,,,,,QAFJIJWLEBLXHH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.277,206-903-8,395-81-3,5-fluoro-2-nitrobenzaldehyde,5-fluoro-2-nitrobenzaldehyde,[O-][N+](=O)c1ccc(F)cc1C=O,[O-][N+](=O)c1ccc(F)cc1C=O,InChI=1/C7H4FNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H,C7H4FNO3,,,,,,KKAFVHUJZPVWND-UHFFFAOYSA-N,,,,,,,,,,,
100.006.278,206-904-3,396-01-0,Triamterene,"6-phenylpteridine-2,4,7-triamine",Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3,Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3,"InChI=1/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)",C12H11N7,,,,,,FNYLWPVRPXGIIP-UHFFFAOYSA-N,Positive,AU110903|AU110904|AU110905;EQ363701|EQ363702|EQ363703|EQ363704|EQ363705|EQ363706|EQ363707|EQ363708|EQ363709,[M+H]+;[M+H]+,CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,254.1146:237.0881:255.1168|237.0883:195.0663:168.0552|141.044:168.055:195.0663;254.1149|254.1149:237.0875|254.115:237.0886:212.0932|237.0884:254.115:195.0667|237.0885:104.0495:195.0667|104.0495:168.0557:141.0448|104.0495:141.0448:116.0495|89.0386:104.0495:95.0492|89.0386:63.023:95.0492,Athens_Univ;Eawag,,,,,
100.006.285,206-912-7,398-32-3,"N-(4'-fluoro[1,1'-biphenyl]-4-yl)acetamide",N-(4'-fluorobiphenyl-4-yl)acetamide,CC(=O)Nc1ccc(cc1)c2ccc(F)cc2,CC(=O)Nc1ccc(cc1)c2ccc(F)cc2,"InChI=1/C14H12FNO/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,1H3,(H,16,17)",C14H12FNO,,,,,,JORMZLCKCZMVJM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.286,206-913-2,398-69-6,"2,5-dichlorobenzenediazonium tetrafluoroborate","2,5-dichlorobenzenediazonium tetrafluoroborate",F[B-](F)(F)F.Clc1ccc(Cl)c(c1)[N+]#N,F[B-](F)(F)F.Clc1ccc(Cl)c(c1)[N+]#N,"InChI=1/C6H3Cl2N2.BF4/c7-4-1-2-5(8)6(3-4)10-9;2-1(3,4)5/h1-3H;/q+1;-1",C6H3Cl2N2.BF4,,,,,,WGFJSVKFPRUHOG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.291,206-919-5,399-76-8,5-fluoro-1H-indole-2-carboxylic acid,5-fluoro-1H-indole-2-carboxylic acid,OC(=O)c1cc2cc(F)ccc2[nH]1,OC(=O)c1cc2cc(F)ccc2[nH]1,"InChI=1/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)",C9H6FNO2,,,,,,WTXBRZCVLDTWLP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.295,206-923-7,400-53-3,Trimethylsilyl trifluoroacetate,trimethylsilyl trifluoroacetate,C[Si](C)(C)OC(=O)C(F)(F)F,C[Si](C)(C)OC(=O)C(F)(F)F,"InChI=1/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3",C5H9F3O2Si,,,,,,VIYXXANHGYSBLY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.299,206-927-9,400-99-7,2-nitro-4-(trifluoromethyl)phenol,2-nitro-4-(trifluoromethyl)phenol,Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F,Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F,"InChI=1/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H",C7H4F3NO3,,,,,,XZEDEVRSUANQEM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.302,206-931-0,401-77-4,"m-fluoro-a,a,a-trichlorotoluene",1-fluoro-3-(trichloromethyl)benzene,Fc1cccc(c1)C(Cl)(Cl)Cl,Fc1cccc(c1)C(Cl)(Cl)Cl,"InChI=1/C7H4Cl3F/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H",C7H4Cl3F,,,,,,JRTYPYSADXRJBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.308,206-937-3,402-13-1,4-(trifluoromethyl)anthranilic acid,2-amino-4-(trifluoromethyl)benzoic acid,Nc1cc(ccc1C(=O)O)C(F)(F)F,Nc1cc(ccc1C(=O)O)C(F)(F)F,"InChI=1/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)",C8H6F3NO2,,,,,,NQTLZJODEOHALT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.680,210-646-7,620-64-4,"Propane-1,2,3-triyl triicosanoate","propane-1,2,3-triyl triicosanoate",CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3",C63H122O6,,,,,,KCVWRCXEUJUXIG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.699,210-667-1,621-07-8,"N,N-dibenzylhydroxylamine",N-benzyl-N-hydroxy-1-phenylmethanamine,ON(Cc1ccccc1)Cc2ccccc2,ON(Cc1ccccc1)Cc2ccccc2,"InChI=1/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2",C14H15NO,,,,,,GXELTROTKVKZBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.656,213-920-4,1066-64-4,Methanetetrayltetrakis[trimethylsilane],methanetetrayltetrakis(trimethylsilane),C[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C,C[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C,"InChI=1/C13H36Si4/c1-14(2,3)13(15(4,5)6,16(7,8)9)17(10,11)12/h1-12H3",C13H36Si4,,,,,,WFGTTYMWWMWERB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.658,213-923-0,1067-08-9,3-ethyl-3-methylpentane,3-ethyl-3-methylpentane,CCC(C)(CC)CC,CCC(C)(CC)CC,"InChI=1/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3",C8H18,,,,,,GIEZWIDCIFCQPS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.661,213-926-7,1067-25-0,Trimethoxypropylsilane,trimethoxy(propyl)silane,CCC[Si](OC)(OC)OC,CCC[Si](OC)(OC)OC,"InChI=1/C6H16O3Si/c1-5-6-10(7-2,8-3)9-4/h5-6H2,1-4H3",C6H16O3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5553,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.661,HQYALQRYBUJWDH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.665,213-930-9,1067-43-2,Tetraallyl orthosilicate,tetraallyl orthosilicate,C=CCO[Si](OCC=C)(OCC=C)OCC=C,C=CCO[Si](OCC=C)(OCC=C)OCC=C,"InChI=1/C12H20O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-8H,1-4,9-12H2",C12H20O4Si,,,,,,SQAIGLXMIMWFEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.667,213-933-5,1067-52-3,Tri-n-butyltin methanolate,tributylstannanylium methanolate,C[O-].CCCC[Sn+](CCCC)CCCC,C[O-].CCCC[Sn+](CCCC)CCCC,"InChI=1/3C4H9.CH3O.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H3;/q;;;-1;+1/rC12H27Sn.CH3O/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2/h4-12H2,1-3H3;1H3/q+1;-1",C13H30OSn,,,,,,KJGLZJQPMKQFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.668,213-934-0,1067-53-4,Tris(2-methoxyethoxy)vinylsilane,"6-(2-methoxyethoxy)-6-vinyl-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](OCCOC)(OCCOC)C=C,COCCO[Si](OCCOC)(OCCOC)C=C,"InChI=1/C11H24O6Si/c1-5-18(15-9-6-12-2,16-10-7-13-3)17-11-8-14-4/h5H,1,6-11H2,2-4H3",C11H24O6Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14177,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.668,WOXXJEVNDJOOLV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.674,213-940-3,1067-99-8,4-(diethoxymethylsilyl)butyronitrile,4-[diethoxy(methyl)silyl]butanenitrile,CCO[Si](C)(CCCC#N)OCC,CCO[Si](C)(CCCC#N)OCC,"InChI=1/C9H19NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-7,9H2,1-3H3",C9H19NO2Si,,,,,,PPDNYHIVHCJXAM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.478,213-725-4,1004-75-7,"2,5,6-triaminopyrimidin-4-ol","2,5,6-triaminopyrimidin-4-ol",Nc1nc(N)c(N)c(O)n1,Nc1nc(N)c(N)c(O)n1,"InChI=1/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)",C4H7N5O,,,,,,SYEYEGBZVSWYPK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.479,213-727-5,1004-76-8,"4,5-diamino-2-mercaptopyrimidine-6-ol","5,6-diamino-2-sulfanylpyrimidin-4-ol",Nc1nc(S)nc(O)c1N,Nc1nc(S)nc(O)c1N,"InChI=1/C4H6N4OS/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)",C4H6N4OS,,,,,,QYSWOQHLIDKEOL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.483,213-731-7,1005-02-3,Pyridine-2-carboximidohydrazide,pyridine-2-carboximidohydrazide,NNC(=N)c1ccccn1,NNC(=N)c1ccccn1,"InChI=1/C6H8N4/c7-6(10-8)5-3-1-2-4-9-5/h1-4H,8H2,(H2,7,10)",C6H8N4,,,,,,DKTIHEQAQFSEAB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.499,213-749-5,1007-03-0,Alpha-cyclopropylbenzyl alcohol,cyclopropyl(phenyl)methanol,OC(C1CC1)c2ccccc2,OC(C1CC1)c2ccccc2,"InChI=1/C10H12O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2",C10H12O,,,,,,GOXKCYOMDINCCD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.378,214-715-2,1189-71-5,Chlorosulphonyl isocyanate,isocyanatosulfuryl chloride,ClS(=O)(=O)N=C=O,ClS(=O)(=O)N=C=O,"InChI=1/CClNO3S/c2-7(5,6)3-1-4",CClNO3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10803,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.378,WRJWRGBVPUUDLA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.381,214-718-9,1190-22-3,"1,3-dichlorobutane","1,3-dichlorobutane",CC(Cl)CCCl,CC(Cl)CCCl,"InChI=1/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3",C4H8Cl2,,,,,,QBGVARBIQGHVKR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.387,214-725-7,1190-93-8,(acetylthio)acetic acid,(acetylsulfanyl)acetic acid,CC(=O)SCC(=O)O,CC(=O)SCC(=O)O,"InChI=1/C4H6O3S/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)",C4H6O3S,,,,,,QSBWDKUBOZHGOU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.390,214-728-3,1191-08-8,"Butane-1,4-dithiol","butane-1,4-dithiol",SCCCCS,SCCCCS,"InChI=1/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2",C4H10S2,,,,,,SMTOKHQOVJRXLK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.066,211-071-4,629-08-3,Heptane-1-nitrile,heptanenitrile,CCCCCCC#N,CCCCCCC#N,"InChI=1/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3",C7H13N,,,,,,SDAXRHHPNYTELL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.068,211-074-0,629-11-8,"Hexane-1,6-diol","hexane-1,6-diol",OCCCCCCO,OCCCCCCO,"InChI=1/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2",C6H14O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15109,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.068,XXMIOPMDWAUFGU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.070,211-076-1,629-14-1,"1,2-diethoxyethane","1,2-diethoxyethane",CCOCCOCC,CCOCCOCC,"InChI=1/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3",C6H14O2,,,,,,LZDKZFUFMNSQCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.074,211-080-3,629-20-9,Cyclooctatetraene,"cycloocta-1,3,5,7-tetraene",C1=CC=CC=CC=C1,C1=CC=CC=CC=C1,InChI=1/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H,C8H8,,,,,,KDUIUFJBNGTBMD-DLMDZQPMSA-N,,,,,,,,,,,
100.010.078,211-085-0,629-30-1,"Heptane-1,7-diol","heptane-1,7-diol",OCCCCCCCO,OCCCCCCCO,"InChI=1/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2",C7H16O2,,,,,,SXCBDZAEHILGLM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.237,212-360-8,806-29-1,"6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione","6,9-difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione",C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-2H3",C21H26F2O5,,,,,,ABUISBDTYAZRHY-RBKZJGKHSA-N,,,,,,,,,,,
100.011.241,212-365-5,808-24-2,Nicodicodine,"3-methoxy-17-methyl-4,5-epoxymorphinan-6-yl nicotinate",COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@]46CCN3C,COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@]46CCN3C,"InChI=1/C24H26N2O4/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26/h3-5,7,10,13,16-17,19,22H,6,8-9,11-12H2,1-2H3",C24H26N2O4,,,,,,GTGRMWCOZHEYRL-MJFIPZRTSA-N,,,,,,,,,,,
100.011.248,212-372-3,811-62-1,Chlorodimethylphosphine,dimethylphosphinous chloride,CP(C)Cl,CP(C)Cl,InChI=1/C2H6ClP/c1-4(2)3/h1-2H3,C2H6ClP,,,,,,ZLVVDNKTHWEIOG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.249,212-373-9,811-92-7,Tetramethylammonium methyl sulphate,"N,N,N-trimethylmethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)C,COS(=O)(=O)[O-].C[N+](C)(C)C,"InChI=1/C4H12N.CH4O4S/c1-5(2,3)4;1-5-6(2,3)4/h1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C4H12N.CH3O4S,,,,,,JGJWEFUHPCKRIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.011.250,212-374-4,811-93-8,2-methylpropylenediamine,"2-methylpropane-1,2-diamine",CC(C)(N)CN,CC(C)(N)CN,"InChI=1/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3",C4H12N2,,,,,,OPCJOXGBLDJWRM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.252,212-377-0,811-97-2,Norflurane,"1,1,1,2-tetrafluoroethane",FCC(F)(F)F,FCC(F)(F)F,"InChI=1/C2H2F4/c3-1-2(4,5)6/h1H2",C2H2F4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15155,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.252,LVGUZGTVOIAKKC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.258,212-383-3,813-19-4,Hexabutyldistannane,hexabutyldistannane,CCCC[Sn](CCCC)(CCCC)[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)[Sn](CCCC)(CCCC)CCCC,"InChI=1/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;;/rC24H54Sn2/c1-7-13-19-25(20-14-8-2,21-15-9-3)26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3",C24H54Sn2,,,,,,REDSKZBUUUQMSK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.262,212-388-0,813-74-1,"2,2,3-trichloropropiononitrile","2,2,3-trichloropropanenitrile",ClCC(Cl)(Cl)C#N,ClCC(Cl)(Cl)C#N,"InChI=1/C3H2Cl3N/c4-1-3(5,6)2-7/h1H2",C3H2Cl3N,,,,,,XMVOGXZDRUZXAP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.264,212-390-1,813-93-4,Bismuth citrate,bismuth(3+) citrate,[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Bi.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;+3;;;/p-3/rC6H8O7.BiH3/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3/q;+3/p-3",C6H8O7.Bi,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11383,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.264,SBINOAIOGOUDOT-UHFFFAOYSA-K,,,,,,,,,,,
100.012.055,213-260-7,932-89-8,2-cyclohexylideneethanol,2-cyclohexylideneethanol,OCC=C1CCCCC1,OCC=C1CCCCC1,"InChI=1/C8H14O/c9-7-6-8-4-2-1-3-5-8/h6,9H,1-5,7H2",C8H14O,,,,,,STMMZXSFWVMHSA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.056,213-261-2,932-90-1,Benzaldehyde oxime,benzaldehyde oxime,O\\N=C\\c1ccccc1,O\N=C\c1ccccc1,"InChI=1/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H",C7H7NO,,,,,,VTWKXBJHBHYJBI-SOFGYWHQSA-N,,,,,,,,,,,
100.012.064,213-270-1,933-67-5,7-methylindole,7-methyl-1H-indole,Cc1cccc2cc[nH]c12,Cc1cccc2cc[nH]c12,"InChI=1/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3",C9H9N,,,,,,KGWPHCDTOLQQEP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.070,213-276-4,934-00-9,3-methoxycatechol,"3-methoxybenzene-1,2-diol",COc1cccc(O)c1O,COc1cccc(O)c1O,"InChI=1/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3",C7H8O3,,,,,,LPYUENQFPVNPHY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.073,213-280-6,934-32-7,Benzimidazol-2-ylamine,1H-benzimidazol-2-amine,Nc1nc2ccccc2[nH]1,Nc1nc2ccccc2[nH]1,"InChI=1/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)",C7H7N3,,,,,,JWYUFVNJZUSCSM-UHFFFAOYSA-N,Positive/Negative,AU200301|AU200302|AU200303|AU200304|AU200305;EA013801|EA013802|EA013803|EA013804|EA013805|EA013806|EA013807|EA013808|EA013809|EA013810|EA013811|EA013812|EA013813|EA013814;TUE00011|TUE00012|TUE00013;UF400801|UF400802,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80,134.0716:135.0745|134.0716:135.0746:133.0633|134.0704:133.0627:135.0734|134.0702:133.0625:117.0439|133.063:134.071;134.0711|134.0712|134.0712|134.0713|134.0712:92.0493:93.0575|134.0713:92.0495:107.0603|134.0712:92.0494:107.0603|134.0712:133.0637|134.0712|134.0712:92.0495|134.0712:92.0494:93.0573|134.0712:92.0494:107.0603|134.0712:92.0494:107.0603|134.0711;134.0713:92.0495|134.0713:92.0495:65.0387|65.0389:92.0494:80.0494;134.0711:92.0494|134.0711:92.0494,Athens_Univ;Eawag;Env_Anal_Chem_U_Tuebingen;UFZ,EA013851|EA013852|EA013853|EA013854|EA013855|EA013856|EA013857|EA013858|EA013859|EA013860|EA013861|EA013862|EA013863|EA013864;TUE00015|TUE00016|TUE00017,[M-H]-;[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V,132.0568|132.0567|132.0567|132.0567|132.0567|132.0567|132.0567|132.0568|132.0568|132.0567|132.0567|132.0566|132.0565|132.0568;132.0567|132.0567:131.0487|41.014:40.0061:132.0567,Eawag;Env_Anal_Chem_U_Tuebingen
100.012.075,213-282-7,934-42-9,2-butylcyclopentanone,2-butylcyclopentanone,CCCCC1CCCC1=O,CCCCC1CCCC1=O,"InChI=1/C9H16O/c1-2-3-5-8-6-4-7-9(8)10/h8H,2-7H2,1H3",C9H16O,,,,,,ZAQYRXDJFINJJE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.080,213-287-4,934-60-1,6-methylpyridine-2-carboxylic acid,6-methylpyridine-2-carboxylic acid,Cc1cccc(n1)C(=O)O,Cc1cccc(n1)C(=O)O,"InChI=1/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)",C7H7NO2,,,,,,LTUUGSGSUZRPRV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.083,213-291-6,934-75-8,"6-ethyl-1,3,5-triazine-2,4-diamine","6-ethyl-1,3,5-triazine-2,4-diamine",CCc1nc(N)nc(N)n1,CCc1nc(N)nc(N)n1,"InChI=1/C5H9N5/c1-2-3-8-4(6)10-5(7)9-3/h2H2,1H3,(H4,6,7,8,9,10)",C5H9N5,,,,,,NAMCDLUESQLMOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.637,213-900-5,1063-55-4,Bis[1-[3-[2-(1-oxobutyl)-10H-phenothiazin-2-yl]propyl]-4-methylpiperazin-1-yl] maleate,1-{10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazin-2-yl}butan-1-one,CCCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,CCCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,"InChI=1/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3",C24H31N3OS.2C4H4O4,,,,,,DVLBYTMYSMAKHP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.645,213-908-9,1066-26-8,Sodium acetylide,ethynylsodium,[Na]C#C,[Na]C#C,InChI=1/C2H.Na/c1-2;/h1H;/rC2HNa/c1-2-3/h1H,C2HNa,,,,,,SLBNQJAGYKQCKI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.647,213-911-5,1066-33-7,Ammonium hydrogencarbonate,ammonium hydrogen carbonate,[NH4+].OC(=O)[O-],[NH4+].OC(=O)[O-],"InChI=1/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3",CH2O3.H3N,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14575,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.647,ATRRKUHOCOJYRX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.648,213-912-0,1066-35-9,Chlorodimethylsilane,chloro(dimethyl)silane,C[SiH](C)Cl,C[SiH](C)Cl,"InChI=1/C2H7ClSi/c1-4(2)3/h4H,1-2H3",C2H7ClSi,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14141,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.648,YGHUUVGIRWMJGE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.659,213-924-6,1067-12-5,Phosphinylidynetrimethanol,phosphoryltrimethanol,OCP(=O)(CO)CO,OCP(=O)(CO)CO,"InChI=1/C3H9O4P/c4-1-8(7,2-5)3-6/h4-6H,1-3H2",C3H9O4P,,,,,,MRVZORUPSXTRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.672,213-938-2,1067-74-9,Methyl diethylphosphonoacetate,[1-ethyl-1-(methoxycarbonyl)propyl]phosphonic acid,CCC(CC)(C(=O)OC)P(=O)(O)O,CCC(CC)(C(=O)OC)P(=O)(O)O,"InChI=1/C7H15O5P/c1-4-7(5-2,6(8)12-3)13(9,10)11/h4-5H2,1-3H3,(H2,9,10,11)",C7H15O5P,,,,,,HMIQLZHOIVGKEV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.678,213-945-0,1068-42-4,Aminoguanidinium sulphate,bis(carbamimidoyldiazanium) sulfate,N[NH2+]C(=N)N.N[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],N[NH2+]C(=N)N.N[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)",CH6N4.xH2O4S,,,,,,VKGQPUZNCZPZKI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.679,213-946-6,1068-47-9,1-mercaptopropan-2-ol,1-sulfanylpropan-2-ol,CC(O)CS,CC(O)CS,"InChI=1/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3",C3H8OS,,,,,,FETFXNFGOYOOSP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.466,213-712-3,1003-67-4,4-methylpyridine 1-oxide,4-methylpyridine 1-oxide,Cc1cc[n+]([O-])cc1,Cc1cc[n+]([O-])cc1,"InChI=1/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",C6H7NO,,,,,,IWYYIZOHWPCALJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.467,213-713-9,1003-68-5,5-methyl-2-pyridone,5-methylpyridin-2(1H)-one,CC1=CNC(=O)C=C1,CC1=CNC(=O)C=C1,"InChI=1/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)",C6H7NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18172,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.467,SOHMZGMHXUQHGE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.468,213-714-4,1003-73-2,3-methylpyridine-N-oxide,3-methylpyridine 1-oxide,Cc1cccn(=O)c1,Cc1cccn(=O)c1,"InChI=1/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",C6H7NO,,,,,,DMGGLIWGZFZLIY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.471,213-718-6,1004-29-1,2-butyltetrahydrofuran,2-butyltetrahydrofuran,CCCCC1CCCO1,CCCCC1CCCO1,"InChI=1/C8H16O/c1-2-3-5-8-6-4-7-9-8/h8H,2-7H2,1H3",C8H16O,,,,,,GBOMEIMCQWMHGB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.472,213-719-1,1004-36-0,"2,6-dimethyl-4-pyrone","2,6-dimethyl-4H-pyran-4-one",CC1=CC(=O)C=C(C)O1,CC1=CC(=O)C=C(C)O1,"InChI=1/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3",C7H8O2,,,,,,VSYFZULSKMFUJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.473,213-720-7,1004-38-2,"Pyrimidine-2,4,6-triyltriamine","pyrimidine-2,4,6-triamine",Nc1cc(N)nc(N)n1,Nc1cc(N)nc(N)n1,"InChI=1/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)",C4H7N5,,,,,,JTTIOYHBNXDJOD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.474,213-721-2,1004-39-3,"4,6-diaminopyrimidine-2-thiol","4,6-diaminopyrimidine-2-thiol",Nc1cc(N)nc(S)n1,Nc1cc(N)nc(S)n1,"InChI=1/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)",C4H6N4S,,,,,,QCAWOHUJKPKOMD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.476,213-723-3,1004-66-6,"2,6-dimethylanisole","2,6-dimethylphenyl methyl ether",COc1c(C)cccc1C,COc1c(C)cccc1C,"InChI=1/C9H12O/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3",C9H12O,,,,,,GFNZJAUVJCGWLW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.486,213-734-3,1005-38-5,6-chloro-2-methylthiopyrimidin-4-ylamine,6-chloro-2-(methylsulfanyl)pyrimidin-4-amine,CSc1nc(N)cc(Cl)n1,CSc1nc(N)cc(Cl)n1,"InChI=1/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)",C5H6ClN3S,,,,,,ISUXMAHVLFRZQU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.487,213-735-9,1005-39-6,"2-methylthiopyrimidine-4,6-diamine","2-(methylsulfanyl)pyrimidine-4,6-diamine",CSc1nc(N)cc(N)n1,CSc1nc(N)cc(N)n1,"InChI=1/C5H8N4S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H4,6,7,8,9)",C5H8N4S,,,,,,AHAIUNAIAHSWPG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.488,213-736-4,1005-56-7,Phenyl thioxochloroformate,O-phenyl chlorothiocarbonate,ClC(=S)Oc1ccccc1,ClC(=S)Oc1ccccc1,InChI=1/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,C7H5ClOS,,,,,,KOSYAAIZOGNATQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.700,210-668-7,621-08-9,Dibenzyl sulphoxide,"1,1'-[sulfinylbis(methylene)]dibenzene",O=S(Cc1ccccc1)Cc2ccccc2,O=S(Cc1ccccc1)Cc2ccccc2,"InChI=1/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14OS,,,,,,HTMQZWFSTJVJEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.702,210-670-8,621-10-3,"N,N'-diphenylmalonamide","N,N'-diphenylmalonamide",O=C(CC(=O)Nc1ccccc1)Nc2ccccc2,O=C(CC(=O)Nc1ccccc1)Nc2ccccc2,"InChI=1/C15H14N2O2/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)",C15H14N2O2,,,,,,YYAQOJILQOVUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.706,210-675-5,621-27-2,m-propylphenol,3-propylphenol,CCCc1cccc(O)c1,CCCc1cccc(O)c1,"InChI=1/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3",C9H12O,,,,,,MPWGZBWDLMDIHO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.708,210-677-6,621-30-7,m-tolyl isothiocyanate,1-isothiocyanato-3-methylbenzene,Cc1cccc(c1)N=C=S,Cc1cccc(c1)N=C=S,"InChI=1/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3",C8H7NS,,,,,,BDPQUWSFKCFOST-UHFFFAOYSA-N,,,,,,,,,,,
100.009.711,210-680-2,621-33-0,m-phenetidine,3-ethoxyaniline,CCOc1cccc(N)c1,CCOc1cccc(N)c1,"InChI=1/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3",C8H11NO,,,,,,WEZAHYDFZNTGKE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.718,210-688-6,621-44-3,3-nitro-L-tyrosine,3-nitrotyrosine,N[C@@H](Cc1ccc(O)c(c1)[N+](=O)[O-])C(=O)O,N[C@@H](Cc1ccc(O)c(c1)[N+](=O)[O-])C(=O)O,"InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)",C9H10N2O5,,,,,,FBTSQILOGYXGMD-LURJTMIESA-N,,,,,,,,,,,
100.009.722,210-692-8,621-54-5,3-(m-hydroxyphenyl)propionic acid,3-(3-hydroxyphenyl)propanoic acid,OC(=O)CCc1cccc(O)c1,OC(=O)CCc1cccc(O)c1,"InChI=1/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)",C9H10O3,,,,,,QVWAEZJXDYOKEH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.724,210-694-9,621-59-0,3-hydroxy-p-anisaldehyde,3-hydroxy-4-methoxybenzaldehyde,COc1ccc(C=O)cc1O,COc1ccc(C=O)cc1O,"InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3",C8H8O3,,,,,,JVTZFYYHCGSXJV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.728,210-699-6,621-66-9,4-(phenylazo)-o-cresol,2-methyl-4-(phenyldiazenyl)phenol,Cc2cc(N=Nc1ccccc1)ccc2O,Cc2cc(N=Nc1ccccc1)ccc2O,"InChI=1/C13H12N2O/c1-10-9-12(7-8-13(10)16)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3",C13H12N2O,,,,,,YJHZQWSSAFUAIG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.731,210-703-6,621-72-7,Bendazol,2-benzyl-1H-benzimidazole,C(c1ccccc1)c2nc3ccccc3[nH]2,C(c1ccccc1)c2nc3ccccc3[nH]2,"InChI=1/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)",C14H12N2,,,,,,YTLQFZVCLXFFRK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.973,208-769-6,541-16-2,"Bis(1,1-dimethylethyl) malonate",di-tert-butyl malonate,CC(C)(C)OC(=O)CC(=O)OC(C)(C)C,CC(C)(C)OC(=O)CC(=O)OC(C)(C)C,"InChI=1/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3",C11H20O4,,,,,,CLPHAYNBNTVRDI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.975,208-771-7,541-20-8,Pentamethonium bromide,"N,N,N,N',N',N'-hexamethylpentane-1,5-diaminium dibromide",[Br-].[Br-].C[N+](C)(C)CCCCC[N+](C)(C)C,[Br-].[Br-].C[N+](C)(C)CCCCC[N+](C)(C)C,"InChI=1/C11H28N2.2BrH/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2",C11H28N2.2Br,,,,,,GJVFBWCTGUSGDD-UHFFFAOYSA-L,,,,,,,,,,,
100.007.976,208-772-2,541-22-0,Decamethonium bromide,"N,N,N,N',N',N'-hexamethyldecane-1,10-diaminium dibromide",[Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,[Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,"InChI=1/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2",C16H38N2.2Br,,,,,,HLXQFVXURMXRPU-UHFFFAOYSA-L,,,,,,,,,,,
100.007.977,208-773-8,541-28-6,1-iodo-3-methylbutane,1-iodo-3-methylbutane,CC(C)CCI,CC(C)CCI,"InChI=1/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3",C5H11I,,,,,,BUZZUHJODKQYTF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.985,208-782-7,541-47-9,3-methylcrotonic acid,3-methylbut-2-enoic acid,CC(=CC(=O)O)C,CC(=CC(=O)O)C,"InChI=1/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)",C5H8O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10417,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.985,YYPNJNDODFVZLE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.987,208-784-8,541-53-7,Dithiobiuret,dicarbonodithioimidic diamide,NC(=S)NC(=S)N,NC(=S)NC(=S)N,"InChI=1/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)",C2H5N3S2,,,,,,JIRRNZWTWJGJCT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.988,208-785-3,541-57-1,4-hydroxyfuran-2(5H)-one,4-hydroxyfuran-2(5H)-one,OC1=CC(=O)OC1,OC1=CC(=O)OC1,"InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2",C4H4O3,,,,,,JZQBAGOECGRTSA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.006,208-806-6,542-18-7,Chlorocyclohexane,chlorocyclohexane,ClC1CCCCC1,ClC1CCCCC1,"InChI=1/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2",C6H11Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11240,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.006,UNFUYWDGSFDHCW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.015,208-816-0,542-52-9,Dibutyl carbonate,dibutyl carbonate,CCCCOC(=O)OCCCC,CCCCOC(=O)OCCCC,"InChI=1/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3",C9H18O3,,,,,,QLVWOKQMDLQXNN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.022,208-823-9,542-63-2,Diethylberyllium,diethylberyllium,CC[Be]CC,CC[Be]CC,"InChI=1/2C2H5.Be/c2*1-2;/h2*1H2,2H3;/rC4H10Be/c1-3-5-4-2/h3-4H2,1-2H3",C4H10Be,,,,,,MYNXPVWCASBJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.084,211-091-3,629-45-8,Dibutyl disulphide,"1,1'-disulfanediyldibutane",CCCCSSCCCC,CCCCSSCCCC,"InChI=1/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3",C8H18S2,,,,,,CUDSBWGCGSUXDB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.086,211-093-4,629-50-5,Tridecane,tridecane,CCCCCCCCCCCCC,CCCCCCCCCCCCC,"InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3",C13H28,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14245,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.086,IIYFAKIEWZDVMP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.093,211-101-6,629-65-2,Diheptyl sulphide,"1,1'-sulfanediyldiheptane",CCCCCCCSCCCCCCC,CCCCCCCSCCCCCCC,"InChI=1/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3",C14H30S,,,,,,LEMIDOZYVQXGLI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.101,211-110-5,629-79-8,Hexadecanenitrile,palmitonitrile,CCCCCCCCCCCCCCCC#N,CCCCCCCCCCCCCCCC#N,"InChI=1/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3",C16H31N,,,,,,WGXGAUQEMYSVJM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.109,211-118-9,629-94-7,Henicosane,henicosane,CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3",C21H44,,,,,,FNAZRRHPUDJQCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.111,211-121-5,629-97-0,Docosane,docosane,CCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C22H46,,,,,,HOWGUJZVBDQJKV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.112,211-122-0,629-98-1,(Z)-docos-13-enol,docos-13-en-1-ol,CCCCCCCC\\C=C/CCCCCCCCCCCCO,CCCCCCCC\C=C/CCCCCCCCCCCCO,"InChI=1/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3",C22H44O,,,,,,CFOQKXQWGLAKSK-KTKRTIGZSA-N,,,,,,,,,,,
100.010.113,211-123-6,629-99-2,Pentacosane,pentacosane,CCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3",C25H52,,,,,,YKNWIILGEFFOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.115,211-125-7,630-02-4,Octacosane,octacosane,CCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C28H58,,,,,,ZYURHZPYMFLWSH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.738,207-410-0,468-56-4,Hydroxypethidine,ethyl 4-(3-hydroxyphenyl)-1-methylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(C)CC1)c2cccc(O)c2,CCOC(=O)C1(CCN(C)CC1)c2cccc(O)c2,"InChI=1/C15H21NO3/c1-3-19-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3",C15H21NO3,,,,,,WTJBNMUWRKPFRS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.739,207-411-6,468-59-7,Betaprodine,"1,3-dimethyl-4-phenylpiperidin-4-yl propionate",CCC(=O)O[C@@]1(CCN(C)C[C@H]1C)c2ccccc2,CCC(=O)O[C@@]1(CCN(C)C[C@H]1C)c2ccccc2,"InChI=1/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3",C16H23NO2,,,,,,UVAZQQHAVMNMHE-CZUORRHYSA-N,,,,,,,,,,,
100.006.741,207-413-7,468-84-8,"[4aR-(4aa,6aß,10aa,10bß)]-dodecahydro-4a,7,7,10a-tetramethyl-3H-naphth[2,1-b]pyran-3-one","4a,7,7,10a-tetramethyldecahydro-2H-benzo[h]chromen-3(4H)-one",CC1(C)CCCC2(C)C1CCC3(C)CC(=O)COC23,CC1(C)CCCC2(C)C1CCC3(C)CC(=O)COC23,"InChI=1/C17H28O2/c1-15(2)7-5-8-17(4)13(15)6-9-16(3)10-12(18)11-19-14(16)17/h13-14H,5-11H2,1-4H3",C17H28O2,,,,,,WYVSRZOZEFTSIK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.745,207-417-9,469-59-0,Jervine,"3-hydroxy-17,23-epoxyveratraman-11-one",C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C(=O)C4=C3C)[C@@H]2C,C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C(=O)C4=C3C)[C@@H]2C,"InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3",C27H39NO3,,,,,,CLEXYFLHGFJONT-DNMILWOZSA-N,,,,,,,,,,,
100.006.747,207-420-5,469-62-5,Dextropropoxyphene,1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propionate,CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2,CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2,"InChI=1/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3",C22H29NO2,,,,,,XLMALTXPSGQGBX-GCJKJVERSA-N,,,,,,,,,,,
100.006.750,207-423-1,469-82-9,Etoxeridine,ethyl 1-[2-(2-hydroxyethoxy)ethyl]-4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(CCOCCO)CC1)c2ccccc2,CCOC(=O)C1(CCN(CCOCCO)CC1)c2ccccc2,"InChI=1/C18H27NO4/c1-2-23-17(21)18(16-6-4-3-5-7-16)8-10-19(11-9-18)12-14-22-15-13-20/h3-7,20H,2,8-15H2,1H3",C18H27NO4,,,,,,KJTKYGFGPQSRRA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.751,207-424-7,469-90-9,"2,7-anhydro-ß-D-altro-2-heptulopyranose","1,7-anhydrohept-2-ulopyranose",OC1C(O)C2COCC(O)(O2)C1O,OC1C(O)C2COCC(O)(O2)C1O,"InChI=1/C7H12O6/c8-4-3-1-12-2-7(11,13-3)6(10)5(4)9/h3-6,8-11H,1-2H2",C7H12O6,,,,,,WIVNVUIYIUVULS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.753,207-426-8,470-40-6,"[1aS-(1aa,4aß,8aR*)]-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalene","2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene",CC1=CCC2(C)CCCC(C)(C)C23CC13,CC1=CCC2(C)CCCC(C)(C)C23CC13,"InChI=1/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3",C15H24,,,,,,WXQGPFZDVCRBME-UHFFFAOYSA-N,,,,,,,,,,,
100.012.095,213-305-0,935-56-8,"1-chlorotricyclo[3.3.1.13,7]decane",1-chloroadamantane,ClC12CC3CC(CC(C3)C1)C2,ClC12CC3CC(CC(C3)C1)C2,"InChI=1/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2",C10H15Cl,,,,,,OZNXTQSXSHODFR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.096,213-306-6,935-67-1,(1-methoxy-1-methylethyl)benzene,(1-methoxy-1-methylethyl)benzene,COC(C)(C)c1ccccc1,COC(C)(C)c1ccccc1,"InChI=1/C10H14O/c1-10(2,11-3)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14O,,,,,,MRFQFQYRTNGOCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.105,213-316-0,936-52-7,N-(cyclopent-1-en-1-yl)morpholine,4-cyclopent-1-en-1-ylmorpholine,C1CC=C(C1)N2CCOCC2,C1CC=C(C1)N2CCOCC2,"InChI=1/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2",C9H15NO,,,,,,VAPOFMGACKUWCI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.632,211-694-1,687-47-8,Ethyl (S)-2-hydroxypropionate,ethyl 2-hydroxypropanoate,CCOC(=O)[C@H](C)O,CCOC(=O)[C@H](C)O,"InChI=1/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3",C5H10O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13866,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.632,LZCLXQDLBQLTDK-BYPYZUCNSA-N,,,,,,,,,,,
100.010.637,211-699-9,687-69-4,N-L-alanylglycine,L-alanylglycine,C[C@H](N)C(=O)NCC(=O)O,C[C@H](N)C(=O)NCC(=O)O,"InChI=1/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)",C5H10N2O3,,,,,,CXISPYVYMQWFLE-VKHMYHEASA-N,,,,,,,,,,,
100.010.638,211-700-2,688-12-0,N-chloroacetyl-L-leucine,N-(chloroacetyl)-L-leucine,CC(C)C[C@H](NC(=O)CCl)C(=O)O,CC(C)C[C@H](NC(=O)CCl)C(=O)O,"InChI=1/C8H14ClNO3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)",C8H14ClNO3,,,,,,VDUNMYRYEYROFL-LURJTMIESA-N,,,,,,,,,,,
100.010.647,211-710-7,689-12-3,Isopropyl acrylate,isopropyl acrylate,CC(C)OC(=O)C=C,CC(C)OC(=O)C=C,"InChI=1/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3",C6H10O2,,,,,,LYBIZMNPXTXVMV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.648,211-711-2,689-67-8,"6,10-dimethylundeca-5,9-dien-2-one","6,10-dimethylundeca-5,9-dien-2-one",C/C(C)=C\\CCC(C)=CCCC(C)=O,C/C(C)=C\CCC(C)=CCCC(C)=O,"InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3",C13H22O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8278,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.648,HNZUNIKWNYHEJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.656,211-720-1,691-37-2,4-methylpent-1-ene,4-methylpent-1-ene,CC(C)CC=C,CC(C)CC=C,"InChI=1/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3",C6H12,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/5494,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.656,WSSSPWUEQFSQQG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.658,211-722-2,691-60-1,Isopropylurea,1-isopropylurea,CC(C)NC(=O)N,CC(C)NC(=O)N,"InChI=1/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)",C4H10N2O,,,,,,LZMATGARSSLFMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.661,211-725-9,692-04-6,N-e-acetyl-L-lysine,N~6~-acetyllysine,CC(=O)NCCCCC(N)C(=O)O,CC(=O)NCCCCC(N)C(=O)O,"InChI=1/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)",C8H16N2O3,,,,,,DTERQYGMUDWYAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.662,211-726-4,692-13-7,1-butylbiguanide,N-butylimidodicarbonimidic diamide,CCCCNC(=N)NC(=N)N,CCCCNC(=N)NC(=N)N,"InChI=1/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)",C6H15N5,,,,,,XSEUMFJMFFMCIU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.668,211-733-2,692-70-6,"(E)-2,5-dimethylhex-3-ene","2,5-dimethylhex-3-ene",CC(C)\\C=C\\C(C)C,CC(C)\C=C\C(C)C,"InChI=1/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3",C8H16,,,,,,KNCMKWVOMRUHKZ-AATRIKPKSA-N,,,,,,,,,,,
100.010.669,211-734-8,692-86-4,Ethyl undec-10-enoate,ethyl undec-10-enoate,CCOC(=O)CCCCCCCCC=C,CCOC(=O)CCCCCCCCC=C,"InChI=1/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3",C13H24O2,,,,,,FXNFFCMITPHEIT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.671,211-736-9,693-02-7,Hex-1-yne,hex-1-yne,CCCCC#C,CCCCC#C,"InChI=1/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3",C6H10,,,,,,CGHIBGNXEGJPQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.672,211-737-4,693-03-8,Bromobutylmagnesium,bromo(butyl)magnesium,CCCC[Mg]Br,CCCC[Mg]Br,"InChI=1/C4H9.BrH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1/rC4H9BrMg/c1-2-3-4-6-5/h2-4H2,1H3",C4H9BrMg,,,,,,OKULOIZBIQQWSM-UHFFFAOYSA-M,,,,,,,,,,,
100.010.673,211-739-5,693-04-9,Butylmagnesium chloride,butylmagnesium(1+) chloride,[Cl-].CCCC[Mg+],[Cl-].CCCC[Mg+],"InChI=1/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1/rC4H9Mg.ClH/c1-2-3-4-5;/h2-4H2,1H3;1H/q+1;/p-1",C4H9ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11425,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.673,UUNGXYVLXYGZKH-UHFFFAOYSA-M,,,,,,,,,,,
100.010.677,211-743-7,693-13-0,"N,N'-methanetetraylbis(1-methylethylamine)","N,N'-diisopropylcarbodiimide",CC(C)N=C=NC(C)C,CC(C)N=C=NC(C)C,"InChI=1/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3",C7H14N2,,,,,,BDNKZNFMNDZQMI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.678,211-744-2,693-16-3,1-methylheptylamine,octan-2-amine,CCCCCCC(C)N,CCCCCCC(C)N,"InChI=1/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3",C8H19N,,,,,,HBXNJMZWGSCKPW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.680,211-746-3,693-23-2,Dodecanedioic acid,dodecanedioic acid,OC(=O)CCCCCCCCCCC(=O)O,OC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)",C12H22O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14886,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.680,TVIDDXQYHWJXFK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.498,211-546-6,661-19-8,Docosan-1-ol,docosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3",C22H46O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14378,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.498,NOPFSRXAKWQILS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.489,213-738-5,1005-66-9,N-(2-bromoethyl)anilinium bromide,N-(2-bromoethyl)anilinium bromide,[Br-].BrCC[NH2+]c1ccccc1,[Br-].BrCC[NH2+]c1ccccc1,"InChI=1/C8H10BrN.BrH/c9-6-7-10-8-4-2-1-3-5-8;/h1-5,10H,6-7H2;1H",C8H10BrN.BrH,,,,,,MXNALQRSXHOIEA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.496,213-745-3,1006-94-6,Indol-5-yl methyl ether,5-methoxy-1H-indole,COc1ccc2[nH]ccc2c1,COc1ccc2[nH]ccc2c1,"InChI=1/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3",C9H9NO,,,,,,DWAQDRSOVMLGRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.377,214-714-7,1189-11-3,N5-[imino(phosphonoamino)methyl]L-ornithine,N~5~-(phosphonocarbamimidoyl)-L-ornithine,N[C@@H](CCCNC(=N)NP(=O)(O)O)C(=O)O,N[C@@H](CCCNC(=N)NP(=O)(O)O)C(=O)O,"InChI=1/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)",C6H15N4O5P,,,,,,CCTIOCVIZPCTGO-BYPYZUCNSA-N,,,,,,,,,,,
100.013.379,214-716-8,1189-93-1,"1,3,3,5,5-hexamethyltrisiloxane","1,1,3,3,5,5-hexamethyltrisiloxane",C[Si](C)O[Si](C)(C)O[Si](C)C,C[Si](C)O[Si](C)(C)O[Si](C)C,"InChI=1/C6H18O2Si3/c1-9(2)7-11(5,6)8-10(3)4/h1-6H3",C6H20O2Si3,,,,,,YTEISYFNYGDBRV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.380,214-717-3,1190-16-5,4-(dichloromethylsilyl)butyronitrile,4-[dichloro(methyl)silyl]butanenitrile,C[Si](Cl)(Cl)CCCC#N,C[Si](Cl)(Cl)CCCC#N,"InChI=1/C5H9Cl2NSi/c1-9(6,7)5-3-2-4-8/h2-3,5H2,1H3",C5H9Cl2NSi,,,,,,UIFBMBZYGZSWQE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.382,214-719-4,1190-24-5,Formylurea,1-formylurea,NC(=O)NC=O,NC(=O)NC=O,"InChI=1/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",C2H4N2O2,,,,,,JOWMUPQBELRFRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.383,214-721-5,1190-32-5,"N-chloroacetyl-D,L-alanine",N-(chloroacetyl)-L-alanine,C[C@H](NC(=O)CCl)C(=O)O,C[C@H](NC(=O)CCl)C(=O)O,"InChI=1/C5H8ClNO3/c1-3(5(9)10)7-4(8)2-6/h3H,2H2,1H3,(H,7,8)(H,9,10)",C5H8ClNO3,,,,,,HTAQFYLADZNZHZ-VKHMYHEASA-N,,,,,,,,,,,
100.013.385,214-723-6,1190-53-0,1-butylbiguanide monohydrochloride,N-butylimidodicarbonimidic diamide hydrochloride,Cl.CCCCNC(=N)NC(=N)N,Cl.CCCCNC(=N)NC(=N)N,"InChI=1/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H",C6H15N5.ClH,,,,,,KKLWSPPIRBIEOV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.386,214-724-1,1190-63-2,Hexadecyl stearate,hexadecyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C34H68O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3",C34H68O2,,,,,,SSZBUIDZHHWXNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.060,211-065-1,628-99-9,Nonan-2-ol,nonan-2-ol,CCCCCCCC(C)O,CCCCCCCC(C)O,"InChI=1/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,NGDNVOAEIVQRFH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.062,211-067-2,629-03-8,"1,6-dibromohexane","1,6-dibromohexane",BrCCCCCCBr,BrCCCCCCBr,InChI=1/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2,C6H12Br2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5500,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.062,SGRHVVLXEBNBDV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.064,211-069-3,629-05-0,Oct-1-yne,oct-1-yne,CCCCCCC#C,CCCCCCC#C,"InChI=1/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3",C8H14,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16615,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.064,UMIPWJGWASORKV-UHFFFAOYSA-N,,,,,,,,,,,
100.010.067,211-073-5,629-09-4,"1,6-diiodohexane","1,6-diiodohexane",ICCCCCCI,ICCCCCCI,InChI=1/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2,C6H12I2,,,,,,QLIMAARBRDAYGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.073,211-079-8,629-19-6,Dipropyl disulphide,"1,1'-disulfanediyldipropane",CCCSSCCC,CCCSSCCC,"InChI=1/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3",C6H14S2,,,,,,ALVPFGSHPUPROW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.076,211-082-4,629-25-4,Sodium laurate,sodium laurate,[Na+].CCCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1",C12H24O2.Na,,,,,,BTURAGWYSMTVOW-UHFFFAOYSA-M,,,,,,,,,,,
100.010.077,211-084-5,629-27-6,1-iodooctane,1-iodooctane,CCCCCCCCI,CCCCCCCCI,"InChI=1/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",C8H17I,,,,,,UWLHSHAHTBJTBA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.083,211-090-8,629-41-4,"Octane-1,8-diol","octane-1,8-diol",OCCCCCCCCO,OCCCCCCCCO,"InChI=1/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2",C8H18O2,,,,,,OEIJHBUUFURJLI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.085,211-092-9,629-46-9,Octyl nitrite,octyl nitrite,CCCCCCCCON=O,CCCCCCCCON=O,"InChI=1/C8H17NO2/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3",C8H17NO2,,,,,,QPHJACNABSHDHC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.087,211-095-5,629-54-9,Palmitamide,palmitamide,CCCCCCCCCCCCCCCC(=O)N,CCCCCCCCCCCCCCCC(=O)N,"InChI=1/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",C16H33NO,,,,,,HSEMFIZWXHQJAE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.090,211-098-1,629-62-9,Pentadecane,pentadecane,CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCC,"InChI=1/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3",C15H32,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10589,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.090,YCOZIPAWZNQLMR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.091,211-099-7,629-63-0,Myristonitrile,myristonitrile,CCCCCCCCCCCCCC#N,CCCCCCCCCCCCCC#N,"InChI=1/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3",C14H27N,,,,,,MLRCLPRHEOPXLL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.023,208-824-4,542-69-8,1-iodobutane,1-iodobutane,CCCCI,CCCCI,"InChI=1/C4H9I/c1-2-3-4-5/h2-4H2,1H3",C4H9I,,,,,,KMGBZBJJOKUPIA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.949,209-842-5,594-44-5,Ethanesulphonyl chloride,ethanesulfonyl chloride,CCS(=O)(=O)Cl,CCS(=O)(=O)Cl,"InChI=1/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3",C2H5ClO2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11864,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.949,FRYHCSODNHYDPU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.954,209-847-2,594-60-5,"2,3-dimethylbutan-2-ol","2,3-dimethylbutan-2-ol",CC(C)C(C)(C)O,CC(C)C(C)(C)O,"InChI=1/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3",C6H14O,,,,,,IKECULIHBUCAKR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.956,209-849-3,594-65-0,"2,2,2-trichloroacetamide","2,2,2-trichloroacetamide",NC(=O)C(Cl)(Cl)Cl,NC(=O)C(Cl)(Cl)Cl,"InChI=1/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)",C2H2Cl3NO,,,,,,UPQQXPKAYZYUKO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.957,209-850-9,594-68-3,Triiodoacetic acid,triiodoacetic acid,OC(=O)C(I)(I)I,OC(=O)C(I)(I)I,"InChI=1/C2HI3O2/c3-2(4,5)1(6)7/h(H,6,7)",C2HI3O2,,,,,,WWHZZMHPRRFPGP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.959,209-853-5,594-71-8,2-chloro-2-nitropropane,2-chloro-2-nitropropane,CC(C)(Cl)[N+](=O)[O-],CC(C)(Cl)[N+](=O)[O-],"InChI=1/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3",C3H6ClNO2,,,,,,JQYFSFNSNVRUPY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.961,209-855-6,594-82-1,"2,2,3,3-tetramethylbutane","2,2,3,3-tetramethylbutane",CC(C)(C)C(C)(C)C,CC(C)(C)C(C)(C)C,"InChI=1/C8H18/c1-7(2,3)8(4,5)6/h1-6H3",C8H18,,,,,,OMMLUKLXGSRPHK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.962,209-856-1,594-89-8,"1,1,1,2,2,3,3-heptachloropropane","1,1,1,2,2,3,3-heptachloropropane",ClC(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl,ClC(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl,"InChI=1/C3HCl7/c4-1(5)2(6,7)3(8,9)10/h1H",C3HCl7,,,,,,YFIIENAGGCUHIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.963,209-857-7,595-05-1,Calycanthine,"13,18-dimethyl-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine",CN1CC[C@@]23[C@@H]4Nc5ccccc5[C@]2(CCN4C)[C@@H]1Nc6ccccc36,CN1CC[C@@]23[C@@H]4Nc5ccccc5[C@]2(CCN4C)[C@@H]1Nc6ccccc36,"InChI=1/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3",C22H26N4,,,,,,XSYCDVWYEVUDKQ-GXRSIYKFSA-N,,,,,,,,,,,
100.008.971,209-866-6,595-41-5,"2,3-dimethylpentan-3-ol","2,3-dimethylpentan-3-ol",CCC(C)(O)C(C)C,CCC(C)(O)C(C)C,"InChI=1/C7H16O/c1-5-7(4,8)6(2)3/h6,8H,5H2,1-4H3",C7H16O,,,,,,RFZHJHSNHYIRNE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.979,209-875-5,596-01-0,"3,3-bis(4-hydroxy-1-naphthyl)phthalide","3,3-bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one",Oc1ccc(c2ccccc12)C3(OC(=O)c4ccccc34)c5ccc(O)c6ccccc56,Oc1ccc(c2ccccc12)C3(OC(=O)c4ccccc34)c5ccc(O)c6ccccc56,"InChI=1/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H",C28H18O4,,,,,,HQHBAGKIEAOSNM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.980,209-876-0,596-03-2,"4',5'-dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","4',5'-dibromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3c(Br)c(O)ccc3C24OC(=O)c5ccccc45)c1Br,Oc1ccc2c(Oc3c(Br)c(O)ccc3C24OC(=O)c5ccccc45)c1Br,"InChI=1/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H",C20H10Br2O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18690,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.980,ZDTNHRWWURISAA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.981,209-877-6,596-09-8,"3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl diacetate","3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate",CC(=O)Oc1ccc2c(Oc3cc(OC(=O)C)ccc3C24OC(=O)c5ccccc45)c1,CC(=O)Oc1ccc2c(Oc3cc(OC(=O)C)ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3",C24H16O7,,,,,,CHADEQDQBURGHL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.985,209-881-8,596-27-0,"3,3-bis(4-hydroxy-m-tolyl)phthalide","3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1(3H)-one",Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(C)c4,Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(C)c4,"InChI=1/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H3",C22H18O4,,,,,,CPBJMKMKNCRKQB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.989,209-886-5,596-49-6,"p,p',p''-tris(diethylamino)trityl alcohol",tris[4-(diethylamino)phenyl]methanol,CCN(CC)c1ccc(cc1)C(O)(c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC,CCN(CC)c1ccc(cc1)C(O)(c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC,"InChI=1/C31H43N3O/c1-7-32(8-2)28-19-13-25(14-20-28)31(35,26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24,35H,7-12H2,1-6H3",C31H43N3O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18865,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.989,NDGDAUFULOJWFG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.993,209-890-7,596-75-8,Diethyl dibutylmalonate,diethyl dibutylmalonate,CCCCC(CCCC)(C(=O)OCC)C(=O)OCC,CCCCC(CCCC)(C(=O)OCC)C(=O)OCC,"InChI=1/C15H28O4/c1-5-9-11-15(12-10-6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3",C15H28O4,,,,,,WHKKUUPZLWUOIW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.758,207-432-0,470-90-6,Chlorfenvinphos,"2-chloro-1-(2,4-dichlorophenyl)vinyl diethyl phosphate",Clc1cc(Cl)ccc1C(OP(=O)(OCC)OCC)=CCl,Clc1cc(Cl)ccc1C(OP(=O)(OCC)OCC)=CCl,"InChI=1/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3",C12H14Cl3O4P,,,,,,FSAVDKDHPDSCTO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.760,207-434-1,471-01-2,"3,5,5-trimethylcyclohex-3-en-1-one","3,5,5-trimethylcyclohex-3-en-1-one",CC1=CC(C)(C)CC(=O)C1,CC1=CC(C)(C)CC(=O)C1,"InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3",C9H14O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17376,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.760,LKOKKQDYMZUSCG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.245,210-168-9,608-73-1,BHC or HCH,"1,2,3,4,5,6-hexachlorocyclohexane",ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,C6H6Cl6,,,,,,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.246,210-169-4,608-74-2,Periodobenzene,hexaiodobenzene,Ic1c(I)c(I)c(I)c(I)c1I,Ic1c(I)c(I)c(I)c(I)c1I,InChI=1/C6I6/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6I6,,,,,,QNMKKFHJKJJOMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.247,210-171-5,608-89-9,"Ethyl hydrogen [R-(R*,R*)]-tartrate","4-ethoxy-2,3-dihydroxy-4-oxobutanoic acid",CCOC(=O)C(O)C(O)C(=O)O,CCOC(=O)C(O)C(O)C(=O)O,"InChI=1/C6H10O6/c1-2-12-6(11)4(8)3(7)5(9)10/h3-4,7-8H,2H2,1H3,(H,9,10)",C6H10O6,,,,,,ZUDZWKJBYZAGBS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.248,210-172-0,608-93-5,Pentachlorobenzene,"1,2,3,4,5-pentachlorobenzene",Clc1cc(Cl)c(Cl)c(Cl)c1Cl,Clc1cc(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,C6HCl5,,,,,,CEOCDNVZRAIOQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.254,210-178-3,609-12-1,Ethyl 2-bromo-3-methylbutyrate,ethyl 2-bromo-3-methylbutanoate,CCOC(=O)C(Br)C(C)C,CCOC(=O)C(Br)C(C)C,"InChI=1/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3",C7H13BrO2,,,,,,WNFUWONOILPKNX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.256,210-180-4,609-15-4,Ethyl 2-chloroacetoacetate,ethyl 2-chloro-3-oxobutanoate,O=C(C)C(Cl)C(=O)OCC,O=C(C)C(Cl)C(=O)OCC,"InChI=1/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3",C6H9ClO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6735,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.256,RDULEYWUGKOCMR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.264,210-189-3,609-36-9,DL-proline,proline,OC(=O)C1CCCN1,OC(=O)C1CCCN1,"InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)",C5H9NO2,,,,,,ONIBWKKTOPOVIA-UHFFFAOYSA-N,Positive,ML005301,[M+H]+,HCD50,116.0709:98.0604,MetaboLights,,,,,
100.009.265,210-190-9,609-40-5,2-nitrothiophene,2-nitrothiophene,[O-][N+](=O)c1cccs1,[O-][N+](=O)c1cccs1,InChI=1/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H,C4H3NO2S,,,,,,JIZRGGUCOQKGQD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.267,210-193-5,609-54-1,p-xylene-2-sulphonic acid,"2,5-dimethylbenzenesulfonic acid",Cc1ccc(C)c(c1)S(=O)(=O)O,Cc1ccc(C)c(c1)S(=O)(=O)O,"InChI=1/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)",C8H10O3S,,,,,,IRLYGRLEBKCYPY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.270,210-196-1,609-67-6,2-iodobenzoyl chloride,2-iodobenzoyl chloride,ClC(=O)c1ccccc1I,ClC(=O)c1ccccc1I,InChI=1/C7H4ClIO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H,C7H4ClIO,,,,,,MVIVDSWUOGNODP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.274,210-200-1,609-73-4,1-iodo-2-nitrobenzene,1-iodo-2-nitrobenzene,[O-][N+](=O)c1ccccc1I,[O-][N+](=O)c1ccccc1I,InChI=1/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,C6H4INO2,,,,,,JXMZUNPWVXQADG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.275,210-201-7,609-86-9,"3,5-diiodoanthranilic acid","2-amino-3,5-diiodobenzoic acid",Nc1c(I)cc(I)cc1C(=O)O,Nc1c(I)cc(I)cc1C(=O)O,"InChI=1/C7H5I2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)",C7H5I2NO2,,,,,,RFIBDMCPIREZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.278,210-204-3,609-99-4,"3,5-dinitrosalicylic acid","2-hydroxy-3,5-dinitrobenzoic acid",OC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)",C7H4N2O7,,,,,,LWFUFLREGJMOIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.281,210-208-5,610-15-1,2-nitrobenzamide,2-nitrobenzamide,NC(=O)c1ccccc1[N+](=O)[O-],NC(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)",C7H6N2O3,,,,,,KLGQWSOYKYFBTR-UHFFFAOYSA-N,Positive,SM809901,[M+H]+,HCD35,150.0186:78.0338:51.0232,CASMI_2016,,,,,
100.009.284,210-211-1,610-20-8,"2,3-bis(nitrooxy)succinic acid","2,3-bis(nitrooxy)succinic acid",OC(=O)C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(=O)O,OC(=O)C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(=O)O,"InChI=1/C4H4N2O10/c7-3(8)1(15-5(11)12)2(4(9)10)16-6(13)14/h1-2H,(H,7,8)(H,9,10)",C4H4N2O10,,,,,,YIHNLKXIMXGECA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.289,210-216-9,610-28-6,"2,5-dinitrobenzoic acid","2,5-dinitrobenzoic acid",OC(=O)c1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4N2O6/c10-7(11)5-3-4(8(12)13)1-2-6(5)9(14)15/h1-3H,(H,10,11)",C7H4N2O6,,,,,,YKMDNKRCCODWMG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.290,210-217-4,610-29-7,Nitroterephthalic acid,2-nitroterephthalic acid,OC(=O)c1ccc(C(=O)O)c(c1)[N+](=O)[O-],OC(=O)c1ccc(C(=O)O)c(c1)[N+](=O)[O-],"InChI=1/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)",C8H5NO6,,,,,,QUMITRDILMWWBC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.295,210-223-7,610-40-2,"1-chloro-3,4-dinitrobenzene","4-chloro-1,2-dinitrobenzene",[O-][N+](=O)c1ccc(Cl)cc1[N+](=O)[O-],[O-][N+](=O)c1ccc(Cl)cc1[N+](=O)[O-],InChI=1/C6H3ClN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H,C6H3ClN2O4,,,,,,QVQSOXMXXFZAKU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.500,211-548-7,661-54-1,"3,3,3-trifluoropropyne","3,3,3-trifluoroprop-1-yne",FC(F)(F)C#C,FC(F)(F)C#C,"InChI=1/C3HF3/c1-2-3(4,5)6/h1H",C3HF3,,,,,,PRDFNJUWGIQQBW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.511,211-560-2,665-66-7,Amantadine hydrochloride,adamantan-1-amine hydrochloride,Cl.NC12CC3CC(CC(C3)C1)C2,Cl.NC12CC3CC(CC(C3)C1)C2,"InChI=1/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H",C10H17N.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10754,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.511,WOLHOYHSEKDWQH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.513,211-562-3,666-23-9,Tetrafluorophenylphosphorane,tetrafluoro(phenyl)phosphorane,FP(F)(F)(F)c1ccccc1,FP(F)(F)(F)c1ccccc1,"InChI=1/C6H5F4P/c7-11(8,9,10)6-4-2-1-3-5-6/h1-5H",C6H5F4P,,,,,,XIRDWFIDMQZDEU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.514,211-563-9,666-52-4,(2H6)acetone,acetone,CC(=O)C,CC(=O)C,InChI=1/C3H6O/c1-3(2)4/h1-2H3,C3D6O,,,,,,CSCPPACGZOOCGX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.516,211-566-5,666-99-9,"2-hydroxynonadecane-1,2,3-tricarboxylic acid","3-C-carboxy-2,4-dideoxy-2-hexadecylpentaric acid",CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,"InChI=1/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)",C22H40O7,,,,,,HZLCGUXUOFWCCN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.522,211-572-8,668-56-4,17-ß-hydroxyandrost-4-en-3-one nicotinate,3-oxoandrost-4-en-17-yl nicotinate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5cccnc5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5cccnc5,"InChI=1/C25H31NO3/c1-24-11-9-18(27)14-17(24)5-6-19-20-7-8-22(25(20,2)12-10-21(19)24)29-23(28)16-4-3-13-26-15-16/h3-4,13-15,19-22H,5-12H2,1-2H3",C25H31NO3,,,,,,KHRRLLSDLVLEIT-BKWLFHPQSA-N,,,,,,,,,,,
100.010.524,211-574-9,669-90-9,2-oxogluconic acid,D-fructosonic acid,OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O,OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O,"InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)",C6H10O7,,,,,,VBUYCZFBVCCYFD-JJYYJPOSSA-N,,,,,,,,,,,
100.010.532,211-583-8,671-36-3,"1,2-dimethylpiperidine","1,2-dimethylpiperidine",CC1CCCCN1C,CC1CCCCN1C,"InChI=1/C7H15N/c1-7-5-3-4-6-8(7)2/h7H,3-6H2,1-2H3",C7H15N,,,,,,MWUISCCBFHLWLY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.535,211-586-4,671-89-6,"4-amino-6-chlorobenzene-1,3-di(sulphonyl chloride)","4-amino-6-chlorobenzene-1,3-disulfonyl dichloride",Nc1cc(Cl)c(cc1S(=O)(=O)Cl)S(=O)(=O)Cl,Nc1cc(Cl)c(cc1S(=O)(=O)Cl)S(=O)(=O)Cl,"InChI=1/C6H4Cl3NO4S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2H,10H2",C6H4Cl3NO4S2,,,,,,YIZXGHNDQUYDDF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.537,211-589-0,672-13-9,5-methoxysalicylaldehyde,2-hydroxy-5-methoxybenzaldehyde,COc1ccc(O)c(C=O)c1,COc1ccc(O)c(C=O)c1,"InChI=1/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3",C8H8O3,,,,,,FZHSPPYCNDYIKD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.278,212-406-7,814-80-2,Calcium dilactate,calcium bis(2-hydroxypropanoate),[Ca+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Ca+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C3H6O3.1/2Ca,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11981,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.278,MKJXYGKVIBWPFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.011.284,212-413-5,814-93-7,Lead oxalate,lead(4+) diethanedioate,[Pb+2].O=C([O-])C([O-])=O,[Pb+2].O=C([O-])C([O-])=O,"InChI=1/C2H2O4.Pb.2H/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;/q;+4;;/p-2/rC2H2O4.H2Pb/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H2/q;+4/p-2",C2H2O4.Pb,,,,,,FCHAMWMIYDDXFS-UHFFFAOYSA-L,,,,,,,,,,,
100.011.288,212-417-7,815-06-5,"N-methyl-2,2,2-trifluoroacetamide","2,2,2-trifluoro-N-methylacetamide",CNC(=O)C(F)(F)F,CNC(=O)C(F)(F)F,"InChI=1/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)",C3H4F3NO,,,,,,IQNHBUQSOSYAJU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.294,212-424-5,815-78-1,Dialuminium tritartrate,dialuminium tritartrate,[Al+3].[Al+3].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],[Al+3].[Al+3].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/3C4H6O6.2Al/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;/q;;;2*+3/p-6",C4H6O6.2/3Al,,,,,,YGIMPIJCOSFCOM-UHFFFAOYSA-H,,,,,,,,,,,
100.011.300,212-430-8,816-39-7,"1,3-dibromoacetone","1,3-dibromoacetone",BrCC(=O)CBr,BrCC(=O)CBr,InChI=1/C3H4Br2O/c4-1-3(6)2-5/h1-2H2,C3H4Br2O,,,,,,LQQKDSXCDXHLLF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.307,212-438-1,816-79-5,3-ethylpent-2-ene,3-ethylpent-2-ene,CCC(=CC)CC,CCC(=CC)CC,"InChI=1/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3",C7H14,,,,,,XMYFZAWUNVHVGI-UHFFFAOYSA-N,,,,,,,,,,,
100.011.308,212-439-7,816-90-0,N-(iminomethyl)-L-glutamic acid,N-(iminomethyl)-L-glutamic acid,OC(=O)CC[C@H](NC=N)C(=O)O,OC(=O)CC[C@H](NC=N)C(=O)O,"InChI=1/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)",C6H10N2O4,,,,,,NRXIKWMTVXPVEF-BYPYZUCNSA-N,,,,,,,,,,,
100.010.092,211-100-0,629-64-1,"1,1'-oxybisheptane","1,1'-oxydiheptane",CCCCCCCOCCCCCCC,CCCCCCCOCCCCCCC,"InChI=1/C14H30O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3",C14H30O,,,,,,UJEGHEMJVNQWOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.104,211-113-1,629-83-4,Methyl triacontanate,methyl triacontanoate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3",C31H62O2,,,,,,BIRUBGLRQLAEFF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.105,211-114-7,629-89-0,Octadecyne,octadec-1-yne,CCCCCCCCCCCCCCCCC#C,CCCCCCCCCCCCCCCCC#C,"InChI=1/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3",C18H34,,,,,,IYDNQWWOZQLMRH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.106,211-115-2,629-90-3,Heptadecanal,heptadecanal,CCCCCCCCCCCCCCCCC=O,CCCCCCCCCCCCCCCCC=O,"InChI=1/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3",C17H34O,,,,,,PIYDVAYKYBWPPY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.107,211-116-8,629-92-5,Nonadecane,nonadecane,CCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCC,"InChI=1/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3",C19H40,,,,,,LQERIDTXQFOHKA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.108,211-117-3,629-93-6,1-iodooctadecane,1-iodooctadecane,CCCCCCCCCCCCCCCCCCI,CCCCCCCCCCCCCCCCCCI,"InChI=1/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3",C18H37I,,,,,,ZNJOCVLVYVOUGB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.110,211-119-4,629-96-9,Icosan-1-ol,icosan-1-ol,CCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCO,"InChI=1/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3",C20H42O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14380,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.110,BTFJIXJJCSYFAL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.118,211-128-3,630-08-0,Carbon monoxide,carbon monooxide,[C-]#[O+],[C-]#[O+],InChI=1/CO/c1-2,CO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15368,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.118,UGFAIRIUMAVXCW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.754,207-427-3,470-55-3,Stachyose,hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranosyl-(1->6)hexopyranoside,OCC1OC(OCC2OC(OCC3OC(OC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(OCC3OC(OC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2",C24H42O21,,,,,,UQZIYBXSHAGNOE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.773,207-448-8,472-15-1,"Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3ß)-",3-hydroxylup-20(29)-en-28-oic acid,CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O,CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O,"InChI=1/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)",C30H48O3,,,,,,QGJZLNKBHJESQX-FZFNOLFKSA-N,,,,,,,,,,,
100.006.776,207-451-4,472-61-7,"(3S,3'S)-3,3'-dihydroxy-ß,ß-carotene-4,4'-dione","3,3'-dihydroxy-beta,beta-carotene-4,4'-dione",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C)\\C=C\\C=C(/C)\\C=C\\C2=C(C)C(=O)[C@@H](O)CC2(C)C,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)[C@@H](O)CC2(C)C,"InChI=1/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3",C40H52O4,,,,,,MQZIGYBFDRPAKN-UWFIBFSHSA-N,,,,,,,,,,,
100.006.777,207-453-5,472-64-0,"2,6,6-trimethyl-2-cyclohexene-1-acetaldehyde","(2,6,6-trimethylcyclohex-2-en-1-yl)acetaldehyde",CC1=CCCC(C)(C)C1CC=O,CC1=CCCC(C)(C)C1CC=O,"InChI=1/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h5,8,10H,4,6-7H2,1-3H3",C11H18O,,,,,,YJKGMUJSGUUUJU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.778,207-454-0,472-66-2,"2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde","(2,6,6-trimethylcyclohex-1-en-1-yl)acetaldehyde",CC1=C(CC=O)C(C)(C)CCC1,CC1=C(CC=O)C(C)(C)CCC1,"InChI=1/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3",C11H18O,,,,,,VHTFHZGAMYUZEP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.780,207-456-1,472-86-6,13-cis-retinal,retinal,C\\C(=C\\C=O)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C,C\C(=C\C=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3",C20H28O,,,,,,NCYCYZXNIZJOKI-HWCYFHEPSA-N,,,,,,,,,,,
100.009.252,210-176-2,609-09-6,Diethyl mesoxalate,diethyl oxomalonate,CCOC(=O)C(=O)C(=O)OCC,CCOC(=O)C(=O)C(=O)OCC,"InChI=1/C7H10O5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4H2,1-2H3",C7H10O5,,,,,,DBKKFIIYQGGHJO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.261,210-186-7,609-23-4,"2,4,6-triiodophenol","2,4,6-triiodophenol",Oc1c(I)cc(I)cc1I,Oc1c(I)cc(I)cc1I,"InChI=1/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",C6H3I3O,,,,,,VAPDZNUFNKUROY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.263,210-188-8,609-31-4,2-nitrobutan-1-ol,2-nitrobutan-1-ol,CCC(CO)[N+](=O)[O-],CCC(CO)[N+](=O)[O-],"InChI=1/C4H9NO3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3",C4H9NO3,,,,,,MHIHRIPETCJEMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.997,209-894-9,597-12-6,Melizitose,hexopyranosyl-(1->3)hex-2-ulofuranosyl hexopyranoside,OCC1OC(OC2C(O)C(CO)OC2(CO)OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(CO)OC2(CO)OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O,"InChI=1/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2",C18H32O16,,,,,,QWIZNVHXZXRPDR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.313,206-943-6,402-43-7,"4-bromo-a,a,a-trifluorotoluene",1-bromo-4-(trifluoromethyl)benzene,FC(F)(F)c1ccc(Br)cc1,FC(F)(F)c1ccc(Br)cc1,"InChI=1/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",C7H4BrF3,,,,,,XLQSXGGDTHANLN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.319,206-949-9,402-55-1,4-(fluorosulphonyl)benzoyl chloride,4-(fluorosulfonyl)benzoyl chloride,FS(=O)(=O)c1ccc(cc1)C(=O)Cl,FS(=O)(=O)c1ccc(cc1)C(=O)Cl,"InChI=1/C7H4ClFO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H",C7H4ClFO3S,,,,,,JMTAYFNTRRLWQG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.322,206-953-0,402-67-5,1-fluoro-3-nitrobenzene,1-fluoro-3-nitrobenzene,[O-][N+](=O)c1cccc(F)c1,[O-][N+](=O)c1cccc(F)c1,InChI=1/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,C6H4FNO2,,,,,,WMASLRCNNKMRFP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.337,206-969-8,404-86-4,Capsaicin,N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide,Oc1ccc(cc1OC)CNC(=O)CCCCC=CC(C)C,Oc1ccc(cc1OC)CNC(=O)CCCCC=CC(C)C,"InChI=1/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)",C18H27NO3,,,,,,YKPUWZUDDOIDPM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.340,206-972-4,405-50-5,4-fluorophenylacetic acid,(4-fluorophenyl)acetic acid,OC(=O)Cc1ccc(F)cc1,OC(=O)Cc1ccc(F)cc1,"InChI=1/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7FO2,,,,,,MGKPFALCNDRSQD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.345,206-978-7,407-01-2,"Bis(2,2,2-trifluoroethyl)amine","2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)ethanamine",FC(F)(F)CNCC(F)(F)F,FC(F)(F)CNCC(F)(F)F,"InChI=1/C4H5F6N/c5-3(6,7)1-11-2-4(8,9)10/h11H,1-2H2",C4H5F6N,,,,,,GTJGHXLFPMOKCE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.352,206-986-0,407-41-0,O-phosphoserine,O-phosphonoserine,NC(COP(=O)(O)O)C(=O)O,NC(COP(=O)(O)O)C(=O)O,"InChI=1/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)",C3H8NO6P,,,,,,BZQFBWGGLXLEPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.735,210-707-8,621-79-4,Cinnamamide,3-phenylacrylamide,NC(=O)\\C=C\\c1ccccc1,NC(=O)\C=C\c1ccccc1,"InChI=1/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)",C9H9NO,,,,,,APEJMQOBVMLION-VOTSOKGWSA-N,Positive,SM817801,[M+H]+,HCD35,131.0491:148.0756:103.0542,CASMI_2016,,,,,
100.009.737,210-709-9,621-83-0,Benzylthiourea,1-benzylthiourea,NC(=S)NCc1ccccc1,NC(=S)NCc1ccccc1,"InChI=1/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)",C8H10N2S,,,,,,UCGFRIAOVLXVKL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.738,210-710-4,621-84-1,Benzyl carbamate,benzyl carbamate,NC(=O)OCc1ccccc1,NC(=O)OCc1ccccc1,"InChI=1/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",C8H9NO2,,,,,,PUJDIJCNWFYVJX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.740,210-713-0,621-88-5,2-phenoxyacetamide,2-phenoxyacetamide,NC(=O)COc1ccccc1,NC(=O)COc1ccccc1,"InChI=1/C8H9NO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",C8H9NO2,,,,,,AOPRXJXHLWYPQR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.746,210-719-3,622-08-2,2-benzyloxyethanol,2-(benzyloxy)ethanol,OCCOCc1ccccc1,OCCOCc1ccccc1,"InChI=1/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2",C9H12O2,,,,,,CUZKCNWZBXLAJX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.749,210-723-5,622-20-8,"1,1'-[ethane-1,2-diylbis(thio)]bisbenzene","1,1'-(ethane-1,2-diyldisulfanediyl)dibenzene",C(CSc1ccccc1)Sc2ccccc2,C(CSc1ccccc1)Sc2ccccc2,"InChI=1/C14H14S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14S2,,,,,,MHCVYAFXPIMYRD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.754,210-728-2,622-29-7,Benzylidene(methyl)amine,N-benzylidenemethanamine,CN=Cc1ccccc1,CN=Cc1ccccc1,"InChI=1/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3",C8H9N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7991,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.754,HXTGGPKOEKKUQO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.757,210-731-9,622-38-8,(ethylthio)benzene,(ethylsulfanyl)benzene,CCSc1ccccc1,CCSc1ccccc1,"InChI=1/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8H10S,,,,,,AEHWKBXBXYNPCX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.762,210-737-1,622-46-8,Phenyl carbamate,phenyl carbamate,NC(=O)Oc1ccccc1,NC(=O)Oc1ccccc1,"InChI=1/C7H7NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H2,8,9)",C7H7NO2,,,,,,BSCCSDNZEIHXOK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.764,210-739-2,622-51-5,p-tolylurea,1-(4-methylphenyl)urea,Cc1ccc(NC(=O)N)cc1,Cc1ccc(NC(=O)N)cc1,"InChI=1/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",C8H10N2O,,,,,,DMSHKWHLXNDUST-UHFFFAOYSA-N,,,,,,,,,,,
100.009.765,210-740-8,622-52-6,p-tolylthiourea,1-(4-methylphenyl)thiourea,Cc1ccc(NC(=S)N)cc1,Cc1ccc(NC(=S)N)cc1,"InChI=1/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",C8H10N2S,,,,,,VXLFMCZPFIKKDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.766,210-741-3,622-56-0,Myristanilide,N-phenyltetradecanamide,CCCCCCCCCCCCCC(=O)Nc1ccccc1,CCCCCCCCCCCCCC(=O)Nc1ccccc1,"InChI=1/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(22)21-19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3,(H,21,22)",C20H33NO,,,,,,LYSJUAWWUBVYCB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.525,208-276-6,519-74-4,2-(diphenylmethyl)piperidine,2-(diphenylmethyl)piperidine,C1CCC(NC1)C(c2ccccc2)c3ccccc3,C1CCC(NC1)C(c2ccccc2)c3ccccc3,"InChI=1/C18H21N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17-19H,7-8,13-14H2",C18H21N,,,,,,RWTNXJXZVGHMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.540,208-292-3,520-36-5,"5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone","5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,"InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",C15H10O5,,,,,,KZNIFHPLKGYRTM-UHFFFAOYSA-N,Positive,ML002601,[M+H]+,HCD50,271.0601:153.0182:119.0491,MetaboLights,,,,,
100.007.541,208-293-9,520-45-6,"3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione","3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione",CC(=O)C1C(=O)OC(=CC1=O)C,CC(=O)C1C(=O)OC(=CC1=O)C,"InChI=1/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3",C8H8O4,,,,,,PGRHXDWITVMQBC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.552,208-305-2,521-15-3,17ß-hydroxyandrost-4-en-3-one hydrogen succinate,4-oxo-4-[(3-oxoandrost-4-en-17-yl)oxy]butanoic acid,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O,"InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)",C23H32O5,,,,,,CJQNBXFUHQZFOE-VYAQIDIUSA-N,,,,,,,,,,,
100.007.554,208-307-3,521-18-6,Androstanolone,17-hydroxyandrostan-3-one,C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,"InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3",C19H30O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12136,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.554,NVKAWKQGWWIWPM-ABEVXSGRSA-N,,,,,,,,,,,
100.007.563,208-317-8,521-74-4,Broxyquinoline,"5,7-dibromoquinolin-8-ol",Oc1c(Br)cc(Br)c2cccnc12,Oc1c(Br)cc(Br)c2cccnc12,"InChI=1/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",C9H5Br2NO,,,,,,ZDASUJMDVPTNTF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.564,208-318-3,521-78-8,Trimipramine hydrogen maleate,"3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine but-2-enedioate",CC(CN(C)C)CN1c2ccccc2CCc3ccccc13.OC(=O)\\C=C/C(=O)O,CC(CN(C)C)CN1c2ccccc2CCc3ccccc13.OC(=O)\C=C/C(=O)O,"InChI=1/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C20H26N2.C4H4O4,,,,,,YDGHCKHAXOUQOS-BTJKTKAUSA-N,,,,,,,,,,,
100.008.379,209-216-1,561-25-1,"(5a)-6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan","3,6-dimethoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan",COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4,6-7,12-13,18H,5,8-10H2,1-3H3",C19H23NO3,,,,,,XJZOLKDBHJPTAT-ATNYCFDYSA-N,,,,,,,,,,,
100.008.380,209-217-7,561-27-3,"O,O'-diacetylmorphine","17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate",CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35,CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35,"InChI=1/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3",C21H23NO5,,,,,,GVGLGOZIDCSQPN-PVHGPHFFSA-N,Positive,AU153301|AU153302|AU153303|AU153304|AU153305,[M+H]+,CID10|CID20|CID30|CID40|CID50,370.1678:371.17:372.1723|370.1678:371.1704:372.1719|370.1675:371.1701:268.1342|211.0758:268.1335:370.1673|165.0699:191.0851:211.0755,Athens_Univ,,,,,
100.008.384,209-221-9,561-65-9,"11ß,18,21-trihydroxypregn-4-ene-3,20-dione","11,18,21-trihydroxypregn-4-ene-3,20-dione",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(CO)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(CO)C[C@H](O)[C@H]23,"InChI=1/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3",C21H30O5,,,,,,HFSXHZZDNDGLQN-ZVIOFETBSA-N,,,,,,,,,,,
100.008.385,209-222-4,561-76-2,Properidine,isopropyl 1-methyl-4-phenylpiperidine-4-carboxylate,CC(C)OC(=O)C1(CCN(C)CC1)c2ccccc2,CC(C)OC(=O)C1(CCN(C)CC1)c2ccccc2,"InChI=1/C16H23NO2/c1-13(2)19-15(18)16(9-11-17(3)12-10-16)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3",C16H23NO2,,,,,,XJKQCILVUHXVIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.386,209-224-5,561-83-1,Nealbarbital,"5-allyl-5-(2,2-dimethylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)(C)CC1(CC=C)C(=O)NC(=O)NC1=O,CC(C)(C)CC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C12H18N2O3/c1-5-6-12(7-11(2,3)4)8(15)13-10(17)14-9(12)16/h5H,1,6-7H2,2-4H3,(H2,13,14,15,16,17)",C12H18N2O3,,,,,,YHKPTICJRUESOY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.390,209-228-7,562-10-7,Doxylamine hydrogen succinate,"N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine succinate",CN(C)CCOC(C)(c1ccccc1)c2ccccn2.OC(=O)CCC(=O)O,CN(C)CCOC(C)(c1ccccc1)c2ccccn2.OC(=O)CCC(=O)O,"InChI=1/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)",C17H22N2O.C4H6O4,,,,,,KBAUFVUYFNWQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.393,209-231-3,562-54-9,Potassium methyl sulphate,potassium methyl sulfate,[K+].COS(=O)(=O)[O-],[K+].COS(=O)(=O)[O-],"InChI=1/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",CH4O4S.K,,,,,,WBGWGHYJIFOATF-UHFFFAOYSA-M,,,,,,,,,,,
100.011.314,212-446-5,817-83-4,Bis(dodecanoato-O)hydroxyaluminium,aluminum hydroxide didodecanoate,CCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*2-11H2,1H3,(H,13,14);;1H2/q;;+3;/p-3/rC24H47AlO5/c1-3-5-7-9-11-13-15-17-19-21-23(26)29-25(28)30-24(27)22-20-18-16-14-12-10-8-6-4-2/h28H,3-22H2,1-2H3",C24H47AlO5,,,,,,YHOBFONOTZZEHM-UHFFFAOYSA-K,,,,,,,,,,,
100.011.315,212-447-0,817-95-8,Ethyl ethoxyacetate,ethyl ethoxyacetate,CCOCC(=O)OCC,CCOCC(=O)OCC,"InChI=1/C6H12O3/c1-3-8-5-6(7)9-4-2/h3-5H2,1-2H3",C6H12O3,,,,,,CKSRFHWWBKRUKA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.109,213-320-2,936-92-5,"[1R-(1a,3ß,5ß,7a)]-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane","3,8,8-trimethyl-4-oxatricyclo[5.1.0.0~3,5~]octane",CC1(C)C2CC3OC3(C)CC12,CC1(C)C2CC3OC3(C)CC12,"InChI=1/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,AGHSZSJVJPSERC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.113,213-324-4,937-22-4,p-chloroperbenzoic acid,4-chlorobenzenecarboperoxoic acid,OOC(=O)c1ccc(Cl)cc1,OOC(=O)c1ccc(Cl)cc1,"InChI=1/C7H5ClO3/c8-6-3-1-5(2-4-6)7(9)11-10/h1-4,10H",C7H5ClO3,,,,,,STABAPSYCQFWOK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.118,213-330-7,937-51-9,3-perhydroazepin-1-ylpropiononitrile,3-azepan-1-ylpropanenitrile,N#CCCN1CCCCCC1,N#CCCN1CCCCCC1,"InChI=1/C9H16N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-5,7-9H2",C9H16N2,,,,,,GDQLRKPUJAWNNP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.121,213-333-3,937-63-3,O-p-tolyl chlorothioformate,O-(4-methylphenyl) chlorothiocarbonate,Cc1ccc(OC(=S)Cl)cc1,Cc1ccc(OC(=S)Cl)cc1,"InChI=1/C8H7ClOS/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3",C8H7ClOS,,,,,,UNCAXIZUVRKBMN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.125,213-338-0,938-16-9,"2,2-dimethylpropiophenone","2,2-dimethyl-1-phenylpropan-1-one",CC(C)(C)C(=O)c1ccccc1,CC(C)(C)C(=O)c1ccccc1,"InChI=1/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3",C11H14O,,,,,,OECPUBRNDKXFDX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.132,213-345-9,938-71-6,"Alpha,4-dichloro-2-nitrotoluene",4-chloro-1-(chloromethyl)-2-nitrobenzene,[O-][N+](=O)c1cc(Cl)ccc1CCl,[O-][N+](=O)c1cc(Cl)ccc1CCl,"InChI=1/C7H5Cl2NO2/c8-4-5-1-2-6(9)3-7(5)10(11)12/h1-3H,4H2",C7H5Cl2NO2,,,,,,OMPHLGROCARZOU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.139,213-353-2,938-97-6,4-hydroxyphenylglycine,N-(4-hydroxyphenyl)glycine,OC(=O)CNc1ccc(O)cc1,OC(=O)CNc1ccc(O)cc1,"InChI=1/C8H9NO3/c10-7-3-1-6(2-4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12)",C8H9NO3,,,,,,WRUZLCLJULHLEY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.141,213-355-3,939-19-5,3-hydroxy-2-benzopyrone,3-hydroxy-2H-chromen-2-one,OC1=Cc2ccccc2OC1=O,OC1=Cc2ccccc2OC1=O,"InChI=1/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H",C9H6O3,,,,,,MJKVTPMWOKAVMS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.144,213-359-5,939-26-4,2-bromomethylnaphthalene,2-(bromomethyl)naphthalene,BrCc1ccc2ccccc2c1,BrCc1ccc2ccccc2c1,"InChI=1/C11H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2",C11H9Br,,,,,,RUHJZSZTSCSTCC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.686,211-753-1,693-55-0,Ethyl hydrogen sebacate,10-ethoxy-10-oxodecanoic acid,CCOC(=O)CCCCCCCCC(=O)O,CCOC(=O)CCCCCCCCC(=O)O,"InChI=1/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)",C12H22O4,,,,,,DLZCDMPHHUODDO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.688,211-755-2,693-58-3,1-bromononane,1-bromononane,CCCCCCCCCBr,CCCCCCCCCBr,"InChI=1/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3",C9H19Br,,,,,,AYMUQTNXKPEMLM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.689,211-756-8,693-65-2,Dipentyl ether,"1,1'-oxydipentane",CCCCCOCCCCC,CCCCCOCCCCC,"InChI=1/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3",C10H22O,,,,,,AOPDRZXCEAKHHW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.690,211-757-3,693-67-4,1-bromoundecane,1-bromoundecane,CCCCCCCCCCCBr,CCCCCCCCCCCBr,"InChI=1/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3",C11H23Br,,,,,,IKPSIIAXIDAQLG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.699,211-767-8,694-17-7,Tetrafluorooxirane,tetrafluorooxirane,FC1(F)OC1(F)F,FC1(F)OC1(F)F,"InChI=1/C2F4O/c3-1(4)2(5,6)7-1",C2F4O,,,,,,LOUICXNAWQPGSU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.705,211-774-6,694-59-7,Pyridine 1-oxide,pyridine 1-oxide,[O-][n+]1ccccc1,[O-][n+]1ccccc1,InChI=1/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H,C5H5NO,,,,,,ILVXOBCQQYKLDS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.712,211-781-4,695-53-4,Dimethadione,"5,5-dimethyl-1,3-oxazolidine-2,4-dione",CC1(C)OC(=O)NC1=O,CC1(C)OC(=O)NC1=O,"InChI=1/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)",C5H7NO3,,,,,,JYJFNDQBESEHJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.713,211-783-5,695-56-7,Cyclopent-2-en-1-one-ethyleneacetal,"1,4-dioxaspiro[4.4]non-6-ene",C1COC2(CCC=C2)O1,C1COC2(CCC=C2)O1,"InChI=1/C7H10O2/c1-2-4-7(3-1)8-5-6-9-7/h1,3H,2,4-6H2",C7H10O2,,,,,,ATFWVBMLTLPOHI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.727,211-798-7,696-62-8,4-iodoanisole,1-iodo-4-methoxybenzene,COc1ccc(I)cc1,COc1ccc(I)cc1,"InChI=1/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7IO,,,,,,SYSZENVIJHPFNL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.730,211-801-1,696-82-2,"2,4,6-trifluoropyrimidine","2,4,6-trifluoropyrimidine",Fc1cc(F)nc(F)n1,Fc1cc(F)nc(F)n1,InChI=1/C4HF3N2/c5-2-1-3(6)9-4(7)8-2/h1H,C4HF3N2,,,,,,NTSYSQNAPGMSIH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.266,210-191-4,609-46-1,o-hydroxybenzenesulphonic acid,2-hydroxybenzenesulfonic acid,Oc1ccccc1S(=O)(=O)O,Oc1ccccc1S(=O)(=O)O,"InChI=1/C6H6O4S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4,7H,(H,8,9,10)",C6H6O4S,,,,,,IULJSGIJJZZUMF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.291,210-219-5,610-30-0,"2,4-dinitrobenzoic acid","2,4-dinitrobenzoic acid",OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)",C7H4N2O6,,,,,,ZIIGSRYPZWDGBT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.292,210-220-0,610-34-4,Ethyl 2-nitrobenzoate,ethyl 2-nitrobenzoate,CCOC(=O)c1ccccc1[N+](=O)[O-],CCOC(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C9H9NO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3",C9H9NO4,,,,,,CPNMAYYYYSWTIV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.293,210-221-6,610-35-5,4-hydroxyphthalic acid,4-hydroxyphthalic acid,OC(=O)c1ccc(O)cc1C(=O)O,OC(=O)c1ccc(O)cc1C(=O)O,"InChI=1/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",C8H6O5,,,,,,MWRVRCAFWBBXTL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.297,210-225-8,610-49-1,1-anthrylamine,anthracen-1-amine,Nc1cccc2cc3ccccc3cc12,Nc1cccc2cc3ccccc3cc12,"InChI=1/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2",C14H11N,,,,,,YUENFNPLGJCNRB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.519,208-269-8,519-37-9,Etofylline,"7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCO)c2C1=O,CN1C(=O)N(C)c2ncn(CCO)c2C1=O,"InChI=1/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3",C9H12N4O3,,,,,,NWPRCRWQMGIBOT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.520,208-270-3,519-44-8,"2,4-dinitroresorcinol","2,4-dinitrobenzene-1,3-diol",Oc1ccc(c(O)c1[N+](=O)[O-])[N+](=O)[O-],Oc1ccc(c(O)c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O6/c9-4-2-1-3(7(11)12)6(10)5(4)8(13)14/h1-2,9-10H",C6H4N2O6,,,,,,LQCKFXAPVKCRRU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.527,208-278-7,519-88-0,Ambucetamide,2-(dibutylamino)-2-(4-methoxyphenyl)acetamide,CCCCN(CCCC)C(C(=O)N)c1ccc(OC)cc1,CCCCN(CCCC)C(C(=O)N)c1ccc(OC)cc1,"InChI=1/C17H28N2O2/c1-4-6-12-19(13-7-5-2)16(17(18)20)14-8-10-15(21-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H2,18,20)",C17H28N2O2,,,,,,WUSAVCGXMSWMQM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.528,208-279-2,519-95-9,Florantyrone,4-fluoranthen-8-yl-4-oxobutanoic acid,OC(=O)CCC(=O)c1ccc2c3cccc4cccc(c2c1)c34,OC(=O)CCC(=O)c1ccc2c3cccc4cccc(c2c1)c34,"InChI=1/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)",C20H14O3,,,,,,QOBAOSCOLAGPKI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.530,208-281-3,519-98-2,"1,2-dihydro-1,5-dimethyl-4-(methylamino)-2-phenyl-3H-pyrazol-3-one","1,5-dimethyl-4-(methylamino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CNC1=C(C)N(C)N(C1=O)c2ccccc2,CNC1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3",C12H15N3O,,,,,,JILCEWWZTBBOFS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.535,208-287-6,520-18-3,"3,4',5,7-tetrahydroxyflavone","3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3,"InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",C15H10O6,,,,,,IYRMWMYZSQPJKC-UHFFFAOYSA-N,Positive,ML004501,[M+H]+,HCD50,287.0553:153.0182:121.0284,MetaboLights,,,,,
100.007.536,208-288-1,520-26-3,Hesperidin,"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2,COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2,"InChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3",C28H34O15,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14278,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.536,QUQPHWDTPGMPEX-QJBIFVCTSA-N,,,,,,,,,,,
100.007.538,208-290-2,520-33-2,"(S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone","5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one",COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2,COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2,"InChI=1/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3",C16H14O6,,,,,,AIONOLUJZLIMTK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.542,208-294-4,520-52-5,Psilocybine,3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate,CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12,CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12,"InChI=1/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)",C12H17N2O4P,,,,,,QVDSEJDULKLHCG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.550,208-303-1,521-12-0,Drostanolone propionate,2-methyl-3-oxoandrostan-17-yl propionate,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3",C23H36O3,,,,,,NOTIQUSPUUHHEH-UXOVVSIBSA-N,,,,,,,,,,,
100.009.776,210-752-3,622-76-4,1-butynylbenzene,but-1-yn-1-ylbenzene,CCC#Cc1ccccc1,CCC#Cc1ccccc1,"InChI=1/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3",C10H10,,,,,,FFFMSANAQQVUJA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.780,210-757-0,622-86-6,ß-chlorophenetole,(2-chloroethoxy)benzene,ClCCOc1ccccc1,ClCCOc1ccccc1,"InChI=1/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9ClO,,,,,,VQUYNUJARXBNPK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.784,210-761-2,622-96-8,4-ethyltoluene,1-ethyl-4-methylbenzene,CCc1ccc(C)cc1,CCc1ccc(C)cc1,"InChI=1/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",C9H12,,,,,,JRLPEMVDPFPYPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.786,210-763-3,622-98-0,1-chloro-4-ethylbenzene,1-chloro-4-ethylbenzene,CCc1ccc(Cl)cc1,CCc1ccc(Cl)cc1,"InChI=1/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3",C8H9Cl,,,,,,GPOFSFLJOIAMSA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.025,208-827-0,542-76-7,3-chloropropiononitrile,3-chloropropanenitrile,ClCCC#N,ClCCC#N,InChI=1/C3H4ClN/c4-2-1-3-5/h1-2H2,C3H4ClN,,,,,,GNHMRTZZNHZDDM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.028,208-830-7,542-84-7,Cobalt dicyanide,cobalt(2+) dicyanide,[Co+2].[C-]#N.[C-]#N,[Co+2].[C-]#N.[C-]#N,InChI=1/2CN.Co/c2*1-2;/q2*-1;+2,C2CoN2,,,,,,CWZOMTYLSNXUEL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.030,208-832-8,542-88-1,Oxybis[chloromethane],bis(chloromethyl) ether,ClCOCCl,ClCOCCl,InChI=1/C2H4Cl2O/c3-1-5-2-4/h1-2H2,C2H4Cl2O,,,,,,HRQGCQVOJVTVLU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.036,208-839-6,543-24-8,N-acetylglycine,N-acetylglycine,CC(=O)NCC(=O)O,CC(=O)NCC(=O)O,"InChI=1/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",C4H7NO3,,,,,,OKJIRPAQVSHGFK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.039,208-842-2,543-29-3,Isobutyl nitrate,isobutyl nitrate,CC(C)CO[N+](=O)[O-],CC(C)CO[N+](=O)[O-],"InChI=1/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3",C4H9NO3,,,,,,LNNXFUZKZLXPOF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.041,208-844-3,543-49-7,Heptan-2-ol,heptan-2-ol,CCCCCC(C)O,CCCCCC(C)O,"InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3",C7H16O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7723,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.041,CETWDUZRCINIHU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.044,208-848-5,543-67-9,Propyl nitrite,propyl nitrite,CCCON=O,CCCON=O,"InChI=1/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3",C3H7NO2,,,,,,KAOQVXHBVNKNHA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.050,208-854-8,543-94-2,Strontium di(acetate),strontium diacetate,[Sr+2].CC(=O)[O-].CC(=O)[O-],[Sr+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Sr/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Sr,,,,,,RXSHXLOMRZJCLB-UHFFFAOYSA-L,,,,,,,,,,,
100.008.052,208-856-9,544-00-3,Diisopentylamine,3-methyl-N-(3-methylbutyl)butan-1-amine,CC(C)CCNCCC(C)C,CC(C)CCNCCC(C)C,"InChI=1/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3",C10H23N,,,,,,SPVVMXMTSODFPU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.054,208-859-5,544-10-5,1-chlorohexane,1-chlorohexane,CCCCCCCl,CCCCCCCl,"InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3",C6H13Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11661,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.054,MLRVZFYXUZQSRU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.058,208-863-7,544-17-2,Calcium diformate,calcium diformate,[Ca+2].[O-]C=O.[O-]C=O,[Ca+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Ca,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15220,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.058,CBOCVOKPQGJKKJ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.059,208-864-2,544-18-3,Cobalt diformate,cobalt(2+) diformate,[Co+2].[O-]C=O.[O-]C=O,[Co+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Co/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Co,,,,,,PFQLIVQUKOIJJD-UHFFFAOYSA-L,,,,,,,,,,,
100.008.060,208-865-8,544-19-4,Copper diformate,copper diformate,[Cu+2]..[O-]C=O.[O-]C=O,[Cu+2]..[O-]C=O.[O-]C=O,-,CH2O2.1/2Cu,,,,,,HFDWIMBEIXDNQS-UHFFFAOYSA-L,,,,,,,,,,,
100.008.063,208-868-4,544-35-4,Ethyl linoleate,"ethyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC,"InChI=1/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3",C20H36O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10362,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.063,FMMOOAYVCKXGMF-MURFETPASA-N,,,,,,,,,,,
100.008.065,208-871-0,544-47-8,2-(p-chlorobenzyl)isothiouronium chloride,amino[(4-chlorobenzyl)sulfanyl]methaniminium chloride,[Cl-].NC(=[NH2+])SCc1ccc(Cl)cc1,[Cl-].NC(=[NH2+])SCc1ccc(Cl)cc1,"InChI=1/C8H9ClN2S.ClH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H",C8H9ClN2S.ClH,,,,,,QAVHMIYSTFZJAU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.072,208-878-9,544-76-3,Hexadecane,hexadecane,CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC,"InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12643,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.072,DCAYPVUWAIABOU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.002,209-901-5,597-44-4,(±)-2-hydroxy-2-methylsuccinic acid,2-hydroxy-2-methylsuccinic acid,CC(O)(CC(=O)O)C(=O)O,CC(O)(CC(=O)O)C(=O)O,"InChI=1/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)",C5H8O5,,,,,,XFTRTWQBIOMVPK-UHFFFAOYSA-N,Negative,,,,,,ML002851,[M-H]-,HCD50,147.0298:87.0087:85.0295,MetaboLights
100.009.003,209-902-0,597-49-9,3-ethylpentan-3-ol,3-ethylpentan-3-ol,CCC(O)(CC)CC,CCC(O)(CC)CC,"InChI=1/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3",C7H16O,,,,,,XKIRHOWVQWCYBT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.407,209-247-0,563-41-7,Semicarbazide hydrochloride,hydrazinecarboxamide hydrochloride,Cl.NNC(=O)N,Cl.NNC(=O)N,"InChI=1/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H",CH5N3O.ClH,,,,,,XHQYBDSXTDXSHY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.419,209-260-1,563-72-4,Calcium oxalate,calcium oxalate,[Ca+2].[O-]C(=O)C(=O)[O-],[Ca+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Ca,,,,,,QXDMQSPYEZFLGF-UHFFFAOYSA-L,,,,,,,,,,,
100.008.422,209-263-8,563-79-1,"2,3-dimethylbut-2-ene","2,3-dimethylbut-2-ene",CC(=C(C)C)C,CC(=C(C)C)C,InChI=1/C6H12/c1-5(2)6(3)4/h1-4H3,C6H12,,,,,,WGLLSSPDPJPLOR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.424,209-265-9,563-83-7,Isobutyramide,2-methylpropanamide,CC(C)C(=O)N,CC(C)C(=O)N,"InChI=1/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)",C4H9NO,,,,,,WFKAJVHLWXSISD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.431,209-273-2,564-37-4,"(8a)-12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione","12'-hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman",CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,"InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)",C31H39N5O5,,,,,,UJYGDMFEEDNVBF-KMKPOGODSA-N,,,,,,,,,,,
100.008.432,209-274-8,564-94-3,Pin-2-ene-1-carbaldehyde,"2,6,6-trimethylbicyclo[3.1.1]hept-2-ene-1-carbaldehyde",CC1=CCC2CC1(C=O)C2(C)C,CC1=CCC2CC1(C=O)C2(C)C,"InChI=1/C11H16O/c1-8-4-5-9-6-11(8,7-12)10(9,2)3/h4,7,9H,5-6H2,1-3H3",C10H14O,,,,,,ZQGDHCZINVFWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.433,209-275-3,565-00-4,"(±)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane","2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane",CC1(C)C2CCC(C2)C1=C,CC1(C)C2CCC(C2)C1=C,"InChI=1/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,,,,,,CRPUJAZIXJMDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.438,209-281-6,565-60-6,3-methylpentan-2-ol,3-methylpentan-2-ol,CCC(C)C(C)O,CCC(C)C(C)O,"InChI=1/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3",C6H14O,,,,,,ZXNBBWHRUSXUFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.439,209-282-1,565-61-7,3-methylpentan-2-one,3-methylpentan-2-one,CCC(C)C(=O)C,CCC(C)C(=O)C,"InChI=1/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3",C6H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11242,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.439,UIHCLUNTQKBZGK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.441,209-284-2,565-63-9,2-methylisocrotonic acid,2-methylbut-2-enoic acid,C\\C=C(\\C)/C(=O)O,C\C=C(\C)/C(=O)O,"InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)",C5H8O2,,,,,,UIERETOOQGIECD-ARJAWSKDSA-N,,,,,,,,,,,
100.008.442,209-285-8,565-64-0,"2,3-dichloropropionic acid","2,3-dichloropropanoic acid",OC(=O)C(Cl)CCl,OC(=O)C(Cl)CCl,"InChI=1/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)",C3H4Cl2O2,,,,,,GKFWNPPZHDYVLI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.444,209-287-9,565-68-4,4-methylpentyn-3-ol,4-methylpent-1-yn-3-ol,CC(C)C(O)C#C,CC(C)C(O)C#C,"InChI=1/C6H10O/c1-4-6(7)5(2)3/h1,5-7H,2-3H3",C6H10O,,,,,,UTIFIONYBLSHIL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.445,209-288-4,565-69-5,2-methylpentan-3-one,2-methylpentan-3-one,CCC(=O)C(C)C,CCC(=O)C(C)C,"InChI=1/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3",C6H12O,,,,,,HYTRYEXINDDXJK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.446,209-290-5,565-73-1,Sodium oxamate,sodium amino(oxo)acetate,[Na+].NC(=O)C(=O)[O-],[Na+].NC(=O)C(=O)[O-],"InChI=1/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);/q;+1/p-1",C2H3NO3.Na,,,,,,RQVZIJIQDCGIKI-UHFFFAOYSA-M,,,,,,,,,,,
100.008.451,209-295-2,566-03-0,"3a,21-dihydroxy-5ß-pregnane-11,20-dione","3,21-dihydroxypregnane-11,20-dione",C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC(=O)[C@H]23,C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC(=O)[C@H]23,"InChI=1/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3",C21H32O4,,,,,,XWYBFXIUISNTQG-RHBMFIQRSA-N,,,,,,,,,,,
100.008.452,209-296-8,566-56-3,"5-a-pregnane-3-ß,20-a-diol","pregnane-3,20-diol",CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3",C21H36O2,,,,,,YWYQTGBBEZQBGO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.467,209-312-3,569-34-6,8-methoxycaffeine,"8-methoxy-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione",COc1nc2N(C)C(=O)N(C)C(=O)c2n1C,COc1nc2N(C)C(=O)N(C)C(=O)c2n1C,InChI=1/C9H12N4O3/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3,C9H12N4O3,,,,,,ATPSJRIIRXKPER-UHFFFAOYSA-N,,,,,,,,,,,
100.008.469,209-314-4,569-41-5,"1,8-dimethylnaphthalene","1,8-dimethylnaphthalene",Cc1cccc2cccc(C)c12,Cc1cccc2cccc(C)c12,"InChI=1/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3",C12H12,,,,,,XAABPYINPXYOLM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.734,211-805-3,697-18-7,"3,3,4,4-tetrafluoro-1,2-oxathietane 2,2-dioxide","3,3,4,4-tetrafluoro-1,2-oxathietane 2,2-dioxide",FC1(F)OS(=O)(=O)C1(F)F,FC1(F)OS(=O)(=O)C1(F)F,"InChI=1/C2F4O3S/c3-1(4)2(5,6)10(7,8)9-1",C2F4O3S,,,,,,ZMSRCMWBEGLBAI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.542,211-594-8,672-65-1,(1-chloroethyl)benzene,(1-chloroethyl)benzene,CC(Cl)c1ccccc1,CC(Cl)c1ccccc1,"InChI=1/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3",C8H9Cl,,,,,,GTLWADFFABIGAE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.544,211-596-9,672-75-3,3-bromo-4-fluorobenzoyl chloride,3-bromo-4-fluorobenzoyl chloride,Fc1ccc(cc1Br)C(=O)Cl,Fc1ccc(cc1Br)C(=O)Cl,InChI=1/C7H3BrClFO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H,C7H3BrClFO,,,,,,HPHZOCIBMCWXCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.545,211-597-4,672-81-1,(methoxymethylene)malononitrile,(methoxymethylene)malononitrile,COC=C(C#N)C#N,COC=C(C#N)C#N,"InChI=1/C5H4N2O/c1-8-4-5(2-6)3-7/h4H,1H3",C5H4N2O,,,,,,PPIRRJFTJMFMSM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.549,211-603-5,673-06-3,D-phenylalanine,phenylalanine,N[C@H](Cc1ccccc1)C(=O)O,N[C@H](Cc1ccccc1)C(=O)O,"InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",C9H11NO2,,,,,,COLNVLDHVKWLRT-MRVPVSSYSA-N,,,,,,,,,,,
100.010.555,211-609-8,673-48-3,4-methoxybenzenediazonium hexafluorophosphate,4-methoxybenzenediazonium hexafluorophosphate,COc1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,COc1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C7H7N2O.F6P/c1-10-7-4-2-6(9-8)3-5-7;1-7(2,3,4,5)6/h2-5H,1H3;/q+1;-1",C7H7N2O.F6P,,,,,,HKTGUCIDASTWJF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.556,211-610-3,673-49-4,N-(2-(imidazol-4-yl)ethyl)acetamide,N-[2-(1H-imidazol-4-yl)ethyl]acetamide,CC(=O)NCCc1c[nH]cn1,CC(=O)NCCc1c[nH]cn1,"InChI=1/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)",C7H11N3O,,,,,,XJWPISBUKWZALE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.562,211-617-1,674-82-8,But-3-en-3-olide,4-methyleneoxetan-2-one,C=C1CC(=O)O1,C=C1CC(=O)O1,InChI=1/C4H4O2/c1-3-2-4(5)6-3/h1-2H2,C4H4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17016,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.562,WASQWSOJHCZDFK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.563,211-618-7,675-09-2,"4,6-dimethyl-2H-pyran-2-one","4,6-dimethyl-2H-pyran-2-one",CC1=CC(=CC(=O)O1)C,CC1=CC(=CC(=O)O1)C,"InChI=1/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3",C7H8O2,,,,,,IXYLIUKQQQXXON-UHFFFAOYSA-N,,,,,,,,,,,
100.010.571,211-627-6,676-46-0,Disodium malate,disodium malate,[Na+].[Na+].OC(CC(=O)[O-])C(=O)[O-],[Na+].[Na+].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C4H6O5.2Na,,,,,,WPUMTJGUQUYPIV-UHFFFAOYSA-L,,,,,,,,,,,
100.010.572,211-628-1,676-47-1,Dipotassium succinate,dipotassium succinate,[K+].[K+].[O-]C(=O)CCC(=O)[O-],[K+].[K+].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.2K/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H6O4.2K,,,,,,CVOQYKPWIVSMDC-UHFFFAOYSA-L,,,,,,,,,,,
100.010.581,211-638-6,677-22-5,tert-butylmagnesium chloride,tert-butylmagnesium(1+) chloride,[Cl-].CC(C)(C)[Mg+],[Cl-].CC(C)(C)[Mg+],"InChI=1/C4H9.ClH.Mg/c1-4(2)3;;/h1-3H3;1H;/q;;+1/p-1/rC4H9Mg.ClH/c1-4(2,3)5;/h1-3H3;1H/q+1;/p-1",C4H9ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16353,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.581,ZDRJSYVHDMFHSC-UHFFFAOYSA-M,,,,,,,,,,,
100.010.587,211-644-9,677-71-4,"1,1,1,3,3,3-hexafluoropropane-2,2-diol","1,1,1,3,3,3-hexafluoropropane-2,2-diol",OC(O)(C(F)(F)F)C(F)(F)F,OC(O)(C(F)(F)F)C(F)(F)F,"InChI=1/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H",C3H2F6O2,,,,,,AKVXSYUWYXOLMY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.588,211-645-4,677-93-0,Icosafluoro-10-iodo-2-(trifluoromethyl)decane,"1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-iodo-2-(trifluoromethyl)decane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C11F23I/c12-1(9(27,28)29,10(30,31)32)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)11(33,34)35",C11F23I,,,,,,ZBAGFGHCDOIBDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.589,211-647-5,678-26-2,Dodecafluoropentane,dodecafluoropentane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17",C5F12,,,,,,NJCBUSHGCBERSK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.322,212-454-9,818-61-1,2-hydroxyethyl acrylate,2-hydroxyethyl acrylate,OCCOC(=O)C=C,OCCOC(=O)C=C,"InChI=1/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2",C5H8O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14845,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.322,OMIGHNLMNHATMP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.323,212-455-4,818-72-4,Oct-1-yne-3-ol,oct-1-yn-3-ol,CCCCCC(O)C#C,CCCCCC(O)C#C,"InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3",C8H14O,,,,,,VUGRNZHKYVHZSN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.325,212-458-0,818-88-2,Methyl hydrogen sebacate,10-methoxy-10-oxodecanoic acid,COC(=O)CCCCCCCCC(=O)O,COC(=O)CCCCCCCCC(=O)O,"InChI=1/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)",C11H20O4,,,,,,OSYQOBUUFRGFNG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.326,212-459-6,818-92-8,3-fluoropropene,3-fluoroprop-1-ene,FCC=C,FCC=C,"InChI=1/C3H5F/c1-2-3-4/h2H,1,3H2",C3H5F,,,,,,QCMKXHXKNIOBBC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.551,208-304-7,521-13-1,Cholest-5-en-3ß-ol butyrate,cholest-5-en-3-yl butyrate,CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3",C31H52O2,,,,,,CKDZWMVGDHGMFR-GTPODGLVSA-N,,,,,,,,,,,
100.007.553,208-306-8,521-17-5,"Androst-5-ene-3-ß,17-ß-diol","androst-5-ene-3,17-diol",C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O,"InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3",C19H30O2,,,,,,QADHLRWLCPCEKT-LOVVWNRFSA-N,,,,,,,,,,,
100.007.561,208-315-7,521-61-9,"1,8-dihydroxy-3-methoxy-6-methylanthraquinone","1,8-dihydroxy-3-methoxy-6-methyl-9,10-anthraquinone",COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1,COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1,"InChI=1/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3",C16H12O5,,,,,,FFWOKTFYGVYKIR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.562,208-316-2,521-62-0,"3-[(6-deoxy-a-L-mannopyranosyl)oxy]-1,8-dihydroxy-6-methylanthraquinone","4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-deoxy-alpha-L-mannopyranoside",C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3",C21H20O9,,,,,,DTTVUKLWJFJOHO-FUCRAMRQSA-N,,,,,,,,,,,
100.008.387,209-225-0,561-86-4,Brallobarbital,"5-allyl-5-(2-bromoprop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione",BrC(=C)CC1(CC=C)C(=O)NC(=O)NC1=O,BrC(=C)CC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C10H11BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3H,1-2,4-5H2,(H2,12,13,14,15,16)",C10H11BrN2O3,,,,,,DYODAJAEQDVYFX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.389,209-227-1,562-09-4,Chlorphenoxamine hydrochloride,"2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine hydrochloride",Cl.CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2,Cl.CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2,"InChI=1/C18H22ClNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H",C18H22ClNO.ClH,,,,,,PAQUKACYLLABHB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.391,209-229-2,562-26-5,Phenoperidine,ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(CCC(O)c2ccccc2)CC1)c3ccccc3,CCOC(=O)C1(CCN(CCC(O)c2ccccc2)CC1)c3ccccc3,"InChI=1/C23H29NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12,21,25H,2,13-18H2,1H3",C23H29NO3,,,,,,IPOPQVVNCFQFRK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.401,209-240-2,563-03-1,Tris(2-methoxyphenyl) phosphate,tris(2-methoxyphenyl) phosphate,COc1ccccc1OP(=O)(Oc2ccccc2OC)Oc3ccccc3OC,COc1ccccc1OP(=O)(Oc2ccccc2OC)Oc3ccccc3OC,"InChI=1/C21H21O7P/c1-23-16-10-4-7-13-19(16)26-29(22,27-20-14-8-5-11-17(20)24-2)28-21-15-9-6-12-18(21)25-3/h4-15H,1-3H3",C21H21O7P,,,,,,ADBFDJQRBQZXAB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.402,209-241-8,563-04-2,Tri-m-tolyl phosphate,tris(3-methylphenyl) phosphate,Cc1cccc(OP(=O)(Oc2cccc(C)c2)Oc3cccc(C)c3)c1,Cc1cccc(OP(=O)(Oc2cccc(C)c2)Oc3cccc(C)c3)c1,"InChI=1/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3",C21H21O4P,,,,,,RMLPZKRPSQVRAB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.403,209-242-3,563-12-2,Ethion,"O,O,O',O'-tetraethyl S,S'-methylene bis(dithiophosphate)",CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,"InChI=1/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3",C9H22O4P2S4,,,,,,RIZMRRKBZQXFOY-UHFFFAOYSA-N,Positive,SM847702;UF402701|UF402702|UF402703|UF402704,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,142.9385:199.0011:114.9613;96.9507:142.9385:114.9613|96.9507:114.9613:142.9384|215.0324:199.0012:322.9761|215.0324:199.0011:322.9764,CASMI_2016;UFZ,,,,,
100.008.410,209-250-7,563-46-2,2-methylbut-1-ene,2-methylbut-1-ene,CCC(=C)C,CCC(=C)C,"InChI=1/C5H10/c1-4-5(2)3/h2,4H2,1,3H3",C5H10,,,,,,MHNNAWXXUZQSNM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.411,209-251-2,563-47-3,3-chloro-2-methylpropene,3-chloro-2-methylprop-1-ene,CC(=C)CCl,CC(=C)CCl,"InChI=1/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3",C4H7Cl,,,,,,OHXAOPZTJOUYKM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.413,209-253-3,563-58-6,"1,1-dichloropropene","1,1-dichloroprop-1-ene",CC=C(Cl)Cl,CC=C(Cl)Cl,"InChI=1/C3H4Cl2/c1-2-3(4)5/h2H,1H3",C3H4Cl2,,,,,,ZAIDIVBQUMFXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.414,209-254-9,563-63-3,Silver acetate,silver(1+) acetate,[Ag+].CC(=O)[O-],[Ag+].CC(=O)[O-],"InChI=1/C2H4O2.Ag/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4O2.Ag,,,,,,CQLFBEKRDQMJLZ-UHFFFAOYSA-M,,,,,,,,,,,
100.008.427,209-269-0,564-20-5,"[3aR-(3aa,5aß,9aa,9bß)]decahydro-3a,6,6,9a-tetramethylnaphth[2,1-b]furan-2(1H)-one","3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one",CC1(C)CCCC2(C)C1CCC3(C)OC(=O)CC23,CC1(C)CCCC2(C)C1CCC3(C)OC(=O)CC23,"InChI=1/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3",C16H26O2,,,,,,IMKJGXCIJJXALX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.428,209-270-6,564-24-9,"2,6,6-trimethylcyclohex-2-ene-1-carboxylic acid","2,6,6-trimethylcyclohex-2-ene-1-carboxylic acid",CC1=CCCC(C)(C)C1C(=O)O,CC1=CCCC(C)(C)C1C(=O)O,"InChI=1/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h5,8H,4,6H2,1-3H3,(H,11,12)",C10H16O2,,,,,,DSXREEOZPPFGJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.008,209-907-8,597-71-7,Pentaerythritol tetraacetate,"3-acetoxy-2,2-bis(acetoxymethyl)propyl acetate (non-preferred name)",CC(=O)OCC(COC(=O)C)(COC(=O)C)COC(=O)C,CC(=O)OCC(COC(=O)C)(COC(=O)C)COC(=O)C,"InChI=1/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3",C13H20O8,,,,,,OUHCZCFQVONTOC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.013,209-913-0,598-03-8,Dipropyl sulphone,"1,1'-sulfonyldipropane",CCCS(=O)(=O)CCC,CCCS(=O)(=O)CCC,"InChI=1/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3",C6H14O2S,,,,,,JEXYCADTAFPULN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.014,209-914-6,598-04-9,Dibutyl sulphone,"1,1'-sulfonyldibutane",CCCCS(=O)(=O)CCCC,CCCCS(=O)(=O)CCCC,"InChI=1/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3",C8H18O2S,,,,,,AIDFJGKWTOULTC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.017,209-917-2,598-10-7,"Cyclopropane-1,1-dicarboxylic acid","cyclopropane-1,1-dicarboxylic acid",OC(=O)C1(CC1)C(=O)O,OC(=O)C1(CC1)C(=O)O,"InChI=1/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)",C5H6O4,,,,,,FDKLLWKMYAMLIF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.028,209-929-8,598-32-3,But-3-en-2-ol,but-3-en-2-ol,CC(O)C=C,CC(O)C=C,"InChI=1/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3",C4H8O,,,,,,MKUWVMRNQOOSAT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.031,209-932-4,598-41-4,2-aminoacetamide,glycinamide,NCC(=O)N,NCC(=O)N,"InChI=1/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)",C2H6N2O,,,,,,BEBCJVAWIBVWNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.037,209-939-2,598-55-0,Methyl carbamate,methyl carbamate,COC(=O)N,COC(=O)N,"InChI=1/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",C2H5NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18202,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.037,GTCAXTIRRLKXRU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.042,209-945-5,598-64-1,Dimethylammonium dimethyldithiocarbamate,N-methylmethanaminium dimethyldithiocarbamate,C[NH2+]C.CN(C)C(=S)[S-],C[NH2+]C.CN(C)C(=S)[S-],"InChI=1/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3",C3H7NS2.C2H7N,,,,,,UVOFGKIRTCCNKG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.049,209-952-3,598-78-7,2-chloropropionic acid,2-chloropropanoic acid,CC(Cl)C(=O)O,CC(Cl)C(=O)O,"InChI=1/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)",C3H5ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5225,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.049,GAWAYYRQGQZKCR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.050,209-953-9,598-79-8,2-chloroacrylic acid,2-chloroacrylic acid,OC(=O)C(=C)Cl,OC(=O)C(=C)Cl,"InChI=1/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)",C3H3ClO2,,,,,,SZTBMYHIYNGYIA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.365,207-000-1,421-05-6,Chlorodifluoroacetonitrile,chloro(difluoro)acetonitrile,FC(F)(Cl)C#N,FC(F)(Cl)C#N,"InChI=1/C2ClF2N/c3-2(4,5)1-6",C2ClF2N,,,,,,GUIPZCNIFDPABQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.370,207-005-9,421-50-1,"1,1,1-trifluoroacetone","1,1,1-trifluoroacetone",CC(=O)C(F)(F)F,CC(=O)C(F)(F)F,"InChI=1/C3H3F3O/c1-2(7)3(4,5)6/h1H3",C3H3F3O,,,,,,FHUDAMLDXFJHJE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.372,207-008-5,421-70-5,1-bromotetrafluoro-2-iodoethane,"1-bromo-1,1,2,2-tetrafluoro-2-iodoethane",FC(F)(Br)C(F)(F)I,FC(F)(Br)C(F)(F)I,"InChI=1/C2BrF4I/c3-1(4,5)2(6,7)8",C2BrF4I,,,,,,ZYNPYKGTNSXKPI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.373,207-009-0,421-83-0,Trifluoromethanesulphonyl chloride,trifluoromethanesulfonyl chloride,FC(F)(F)S(=O)(=O)Cl,FC(F)(F)S(=O)(=O)Cl,"InChI=1/CClF3O2S/c2-8(6,7)1(3,4)5",CClF3O2S,,,,,,GRGCWBWNLSTIEN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.379,207-015-3,422-55-9,"1-chloro-1,1,2,2,3,3-hexafluoropropane","1-chloro-1,1,2,2,3,3-hexafluoropropane",FC(F)C(F)(F)C(F)(F)Cl,FC(F)C(F)(F)C(F)(F)Cl,"InChI=1/C3HClF6/c4-3(9,10)2(7,8)1(5)6/h1H",C3HClF6,,,,,,AYAIRPGAABBRLY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.390,207-027-9,423-54-1,Perfluorooctanamide,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide",NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H2F15NO/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H2,24,25)",C8H2F15NO,,,,,,UGMUDSKJLAUMTC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.400,207-038-9,425-87-6,"2-chloro-1,1,2-trifluoro-1-methoxyethane","2-chloro-1,1,2-trifluoro-1-methoxyethane",COC(F)(F)C(F)Cl,COC(F)(F)C(F)Cl,"InChI=1/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3",C3H4ClF3O,,,,,,KKXBMWAROXAWSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.403,207-042-0,426-50-6,"Trichloro(1,1,2,3,3,3-hexafluoropropyl)silane","trichloro(1,1,2,3,3,3-hexafluoropropyl)silane",FC(C(F)(F)F)C(F)(F)[Si](Cl)(Cl)Cl,FC(C(F)(F)F)C(F)(F)[Si](Cl)(Cl)Cl,"InChI=1/C3HCl3F6Si/c4-13(5,6)3(11,12)1(7)2(8,9)10/h1H",C3HCl3F6Si,,,,,,RQPZGJMUMIAPLX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.404,207-043-6,426-65-3,Ethyl pentafluoropropionate,ethyl pentafluoropropanoate,CCOC(=O)C(F)(F)C(F)(F)F,CCOC(=O)C(F)(F)C(F)(F)F,"InChI=1/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3",C5H5F5O2,,,,,,DBOFMRQAMAZKQY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.406,207-045-7,427-00-9,Desomorphine,"17-methyl-4,5-epoxymorphinan-3-ol",CN1CC[C@]23[C@@H]4CCC[C@H]2[C@H]1Cc5ccc(O)c(O4)c35,CN1CC[C@]23[C@@H]4CCC[C@H]2[C@H]1Cc5ccc(O)c(O4)c35,"InChI=1/C17H21NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h5-6,11-12,14,19H,2-4,7-9H2,1H3",C17H21NO2,,,,,,LNNWVNGFPYWNQE-GMIGKAJZSA-N,,,,,,,,,,,
100.008.471,209-317-0,569-51-7,"Benzene-1,2,3-tricarboxylic acid","benzene-1,2,3-tricarboxylic acid",OC(=O)c1cccc(C(=O)O)c1C(=O)O,OC(=O)c1cccc(C(=O)O)c1C(=O)O,"InChI=1/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",C9H6O6,,,,,,UJMDYLWCYJJYMO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.474,209-320-7,569-59-5,Phenindamine tartrate,"2-methyl-9-phenyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine 2,3-dihydroxysuccinate (salt)",CN1CCC2=C(C1)C(c3ccccc3)c4ccccc24.O[C@H]([C@@H](O)C(=O)O)C(=O)O,CN1CCC2=C(C1)C(c3ccccc3)c4ccccc24.O[C@H]([C@@H](O)C(=O)O)C(=O)O,"InChI=1/C19H19N.C4H6O6/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;5-1(3(7)8)2(6)4(9)10/h2-10,19H,11-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C19H19N.C4H6O6,,,,,,WFXURHIXPXVPGM-LREBCSMRSA-N,,,,,,,,,,,
100.008.477,209-323-3,569-65-3,Meclozine,1-[(4-chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine,Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1,Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1,"InChI=1/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3",C25H27ClN2,,,,,,OCJYIGYOJCODJL-UHFFFAOYSA-N,Positive,EQ308401|EQ308402|EQ308403|EQ308404|EQ308405|EQ308406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,201.0472:189.1394:165.0702|201.0473:166.0784:165.0705|201.0472:166.0783:165.0706|166.0784:201.0473:165.0707|166.0784:201.0473:183.0813|165.0706:166.0782:201.0474,Eawag,,,,,
100.009.302,210-231-0,610-66-2,2-nitrophenylacetonitrile,(2-nitrophenyl)acetonitrile,[O-][N+](=O)c1ccccc1CC#N,[O-][N+](=O)c1ccccc1CC#N,"InChI=1/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2",C8H6N2O2,,,,,,YPRFCQAWSNWRLM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.308,210-237-3,610-89-9,Ethyl 2-acetylpent-4-enoate,ethyl 2-acetylpent-4-enoate,CCOC(=O)C(CC=C)C(=O)C,CCOC(=O)C(CC=C)C(=O)C,"InChI=1/C9H14O3/c1-4-6-8(7(3)10)9(11)12-5-2/h4,8H,1,5-6H2,2-3H3",C9H14O3,,,,,,IXKFNTFJUHTDNE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.318,210-248-3,611-06-3,"1,3-dichloro-4-nitrobenzene","2,4-dichloro-1-nitrobenzene",[O-][N+](=O)c1ccc(Cl)cc1Cl,[O-][N+](=O)c1ccc(Cl)cc1Cl,InChI=1/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,C6H3Cl2NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1902,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.318,QUIMTLZDMCNYGY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.325,210-256-7,611-15-4,2-methylstyrene,1-methyl-2-vinylbenzene,Cc1ccccc1C=C,Cc1ccccc1C=C,"InChI=1/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3",C9H10,,,,,,NVZWEEGUWXZOKI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.329,210-260-9,611-21-2,N-methyl-o-toluidine,"N,2-dimethylaniline",CNc1ccccc1C,CNc1ccccc1C,"InChI=1/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3",C8H11N,,,,,,GUAWMXYQZKVRCW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.333,210-265-6,611-33-6,8-chloroquinoline,8-chloroquinoline,Clc1cccc2cccnc12,Clc1cccc2cccnc12,InChI=1/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,C9H6ClN,,,,,,RUSMDMDNFUYZTM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.334,210-266-1,611-34-7,5-aminoquinoline,quinolin-5-amine,Nc1cccc2ncccc12,Nc1cccc2ncccc12,"InChI=1/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2",C9H8N2,,,,,,XMIAFAKRAAMSGX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.337,210-269-8,611-53-0,2'-deoxy-5-iodocytidine,2'-deoxy-5-iodocytidine,NC1=NC(=O)N(C=C1I)[C@H]2C[C@H](O)[C@@H](CO)O2,NC1=NC(=O)N(C=C1I)[C@H]2C[C@H](O)[C@@H](CO)O2,"InChI=1/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)",C9H12IN3O4,,,,,,WEVJJMPVVFNAHZ-RRKCRQDMSA-N,,,,,,,,,,,
100.009.340,210-272-4,611-64-3,9-methylacridine,9-methylacridine,Cc1c2ccccc2nc3ccccc13,Cc1c2ccccc2nc3ccccc13,"InChI=1/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3",C14H11N,,,,,,FLDRLXJNISEWNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.346,210-279-2,611-74-5,"N,N-dimethylbenzamide","N,N-dimethylbenzamide",CN(C)C(=O)c1ccccc1,CN(C)C(=O)c1ccccc1,"InChI=1/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3",C9H11NO,,,,,,IMNDHOCGZLYMRO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.350,210-283-4,611-92-7,"1,3-dimethyl-1,3-diphenylurea","1,3-dimethyl-1,3-diphenylurea",CN(C(=O)N(C)c1ccccc1)c2ccccc2,CN(C(=O)N(C)c1ccccc1)c2ccccc2,"InChI=1/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3",C15H16N2O,,,,,,ADCBKYIHQQCFHE-UHFFFAOYSA-N,Positive,UA003301|UA003303,[M+H]+,CID35|CID35,134.0599:106.065:241.1336|134.0609:106.0658:77.0384,UFZ_Additional_Specs,,,,,
100.007.567,208-322-5,522-12-3,"3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxyhexopyranoside",CC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)C(O)C1O,CC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)C(O)C1O,"InChI=1/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",C21H20O11,,,,,,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.573,208-328-8,522-40-7,Fosfestrol,"hex-3-ene-3,4-diyldi-4,1-phenylene bis[dihydrogen (phosphate)]",O=P(O)(O)Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OP(O)(O)=O)cc2,O=P(O)(O)Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OP(O)(O)=O)cc2,"InChI=1/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)",C18H22O8P2,,,,,,NLORYLAYLIXTID-UHFFFAOYSA-N,,,,,,,,,,,
100.007.574,208-329-3,522-48-5,Tetryzoline hydrochloride,"2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride",Cl.C1CC(C2=NCCN2)c3ccccc3C1,Cl.C1CC(C2=NCCN2)c3ccccc3C1,"InChI=1/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H",C13H16N2.ClH,,,,,,BJORNXNYWNIWEY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.329,212-462-2,819-73-8,Lead dibutyrate,-,[Pb+2].O=C([O-])CCC.[O-]C(=O)CCC,[Pb+2].O=C([O-])CCC.[O-]C(=O)CCC,"InChI=1/2C4H8O2.Pb.2H/c2*1-2-3-4(5)6;;;/h2*2-3H2,1H3,(H,5,6);;;/q;;+4;;/p-2/r2C4H8O2.H2Pb/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);1H2/q;;+4/p-2",C4H8O2.1/2Pb,,,,,,ZFBGUXUJXUFOLU-UHFFFAOYSA-L,,,,,,,,,,,
100.011.335,212-469-0,820-29-1,Decan-5-one,decan-5-one,CCCCCC(=O)CCCC,CCCCCC(=O)CCCC,"InChI=1/C10H20O/c1-3-5-7-9-10(11)8-6-4-2/h3-9H2,1-2H3",C10H20O,,,,,,JDPQWHLMBJZURR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.339,212-473-2,821-09-0,Pent-4-en-1-ol,pent-4-en-1-ol,OCCCC=C,OCCCC=C,"InChI=1/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2",C5H10O,,,,,,LQAVWYMTUMSFBE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.340,212-474-8,821-10-3,"1,4-dichlorobut-2-yne","1,4-dichlorobut-2-yne",ClCC#CCCl,ClCC#CCCl,InChI=1/C4H4Cl2/c5-3-1-2-4-6/h3-4H2,C4H4Cl2,,,,,,RCHDLEVSZBOHOS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.345,212-480-0,821-55-6,Nonan-2-one,nonan-2-one,CCCCCCCC(=O)C,CCCCCCCC(=O)C,"InChI=1/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3",C9H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17523,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.345,VKCYHJWLYTUGCC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.356,212-492-6,822-20-8,Heptadecyl acetate,heptadecyl acetate,CCCCCCCCCCCCCCCCCOC(=O)C,CCCCCCCCCCCCCCCCCOC(=O)C,"InChI=1/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h3-18H2,1-2H3",C19H38O2,,,,,,BGBUNTANUVVMIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.358,212-494-7,822-27-5,Dioctyl disulphide,"1,1'-disulfanediyldioctane",CCCCCCCCSSCCCCCCCC,CCCCCCCCSSCCCCCCCC,"InChI=1/C16H34S2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34S2,,,,,,AROCLDYPZXMJPW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.360,212-496-8,822-35-5,Cyclobutene,cyclobutene,C1CC=C1,C1CC=C1,"InChI=1/C4H6/c1-2-4-3-1/h1-2H,3-4H2",C4H6,,,,,,CFBGXYDUODCMNS-UHFFFAOYSA-N,,,,,,,,,,,
100.011.362,212-498-9,822-38-8,"1,3-dithiolane-2-thione","1,3-dithiolane-2-thione",S=C1SCCS1,S=C1SCCS1,InChI=1/C3H4S3/c4-3-5-1-2-6-3/h1-2H2,C3H4S3,,,,,,XCWPBWWTGHQKDR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.367,212-503-4,822-86-6,"trans-1,2-dichlorocyclohexane","1,2-dichlorocyclohexane",Cl[C@H]1CCCC[C@@H]1Cl,Cl[C@H]1CCCC[C@@H]1Cl,"InChI=1/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2",C6H10Cl2,,,,,,GZEZIBFVJYNETN-WDSKDSINSA-N,,,,,,,,,,,
100.011.371,212-508-1,822-93-5,"1,1'-vinylidenebiscyclopropane","1,1'-ethene-1,1-diyldicyclopropane",C=C(C1CC1)C2CC2,C=C(C1CC1)C2CC2,"InChI=1/C8H12/c1-6(7-2-3-7)8-4-5-8/h7-8H,1-5H2",C8H12,,,,,,RXCSODBXHNSSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.162,213-378-9,941-37-7,"1-bromo-3,5-dimethyltricyclo[3.3.1.13,7]decane","1-bromo-3,5-dimethyladamantane",CC12CC3CC(C)(C1)CC(Br)(C3)C2,CC12CC3CC(C)(C1)CC(Br)(C3)C2,"InChI=1/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3",C12H19Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18951,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.162,QUCXLVDIVQWYJR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.165,213-382-0,941-69-5,N-phenylmaleimide,"1-phenyl-1H-pyrrole-2,5-dione",O=C1C=CC(=O)N1c2ccccc2,O=C1C=CC(=O)N1c2ccccc2,InChI=1/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H,C10H7NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10939,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.165,HIDBROSJWZYGSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.169,213-386-2,942-06-3,"4,5-dichlorophthalic anhydride","5,6-dichloro-2-benzofuran-1,3-dione",Clc1cc2C(=O)OC(=O)c2cc1Cl,Clc1cc2C(=O)OC(=O)c2cc1Cl,InChI=1/C8H2Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H,C8H2Cl2O3,,,,,,ULSOWUBMELTORB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.173,213-390-4,942-32-5,3-methyl-1-phenyl-1H-pyrazol-5-ol,3-methyl-1-phenyl-1H-pyrazol-5-ol,Cc1cc(O)n(n1)c2ccccc2,Cc1cc(O)n(n1)c2ccccc2,"InChI=1/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,13H,1H3",C10H10N2O,,,,,,PLVBQEFRONZLHO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.174,213-392-5,942-51-8,"(R*,S*)-4-hydroxy-a-[1-(methylamino)ethyl]benzyl alcohol hydrochloride",4-[1-hydroxy-2-(methylamino)propyl]phenol hydrochloride,Cl.CNC(C)C(O)c1ccc(O)cc1,Cl.CNC(C)C(O)c1ccc(O)cc1,"InChI=1/C10H15NO2.ClH/c1-7(11-2)10(13)8-3-5-9(12)6-4-8;/h3-7,10-13H,1-2H3;1H",C10H15NO2.ClH,,,,,,ICBZSKCTKKUQSY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.179,213-397-2,943-15-7,2-nitro-p-cymene,4-isopropyl-1-methyl-2-nitrobenzene,CC(C)c1ccc(C)c(c1)[N+](=O)[O-],CC(C)c1ccc(C)c(c1)[N+](=O)[O-],"InChI=1/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3",C10H13NO2,,,,,,DRKFWQDBPGTSOO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.182,213-400-7,943-37-3,Ethyl 5-nitro-2-furoate,ethyl 5-nitro-2-furoate,CCOC(=O)c1oc(cc1)[N+](=O)[O-],CCOC(=O)c1oc(cc1)[N+](=O)[O-],"InChI=1/C7H7NO5/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4H,2H2,1H3",C7H7NO5,,,,,,JMNXLAQKIHVFIC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.190,213-409-6,944-43-4,"4-amino-2,3,5,6-tetrafluorobenzoic acid","4-amino-2,3,5,6-tetrafluorobenzoic acid",Nc1c(F)c(F)c(C(=O)O)c(F)c1F,Nc1c(F)c(F)c(C(=O)O)c(F)c1F,"InChI=1/C7H3F4NO2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H,13,14)",C7H3F4NO2,,,,,,WTNSXWSOTDBWOR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.429,209-271-1,564-25-0,Doxycycline,"4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrate",O.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O,O.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O,"InChI=1/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H2",C22H24N2O8,,,,,,XQTWDDCIUJNLTR-CVHRZJFOSA-N,,,,,,,,,,,
100.008.437,209-280-0,565-59-3,"2,3-dimethylpentane","2,3-dimethylpentane",CCC(C)C(C)C,CCC(C)C(C)C,"InChI=1/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3",C7H16,,,,,,WGECXQBGLLYSFP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.448,209-292-6,565-75-3,"2,3,4-trimethylpentane","2,3,4-trimethylpentane",CC(C)C(C)C(C)C,CC(C)C(C)C(C)C,"InChI=1/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3",C8H18,,,,,,RLPGDEORIPLBNF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.461,209-306-0,567-83-9,4-hydroxy-a-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxo-2H-1-benzopyran-3-acetic acid,bis(4-hydroxy-2-oxo-2H-chromen-3-yl)acetic acid,OC(=O)C(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O,OC(=O)C(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O,"InChI=1/C20H12O8/c21-16-9-5-1-3-7-11(9)27-19(25)14(16)13(18(23)24)15-17(22)10-6-2-4-8-12(10)28-20(15)26/h1-8,13,21-22H,(H,23,24)",C20H12O8,,,,,,NEDXBAMFCBNKIB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.462,209-307-6,567-95-3,"4,5-dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone","4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-9,10-anthraquinone",OCc1c(c(O)c2C(=O)c3c(O)c(cc(c3C(=O)c2c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],OCc1c(c(O)c2C(=O)c3c(O)c(cc(c3C(=O)c2c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C15H6N4O13/c20-2-3-10(18(29)30)7-9(15(24)11(3)19(31)32)14(23)8-6(13(7)22)4(16(25)26)1-5(12(8)21)17(27)28/h1,20-21,24H,2H2",C15H6N4O13,,,,,,QFCNNIIPXGJBQT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.468,209-313-9,569-37-9,Ethyl 2-benzoylacetoacetate,ethyl 2-benzoyl-3-oxobutanoate,CCOC(=O)C(C(=O)C)C(=O)c1ccccc1,CCOC(=O)C(C(=O)C)C(=O)c1ccccc1,"InChI=1/C13H14O4/c1-3-17-13(16)11(9(2)14)12(15)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3",C13H14O4,,,,,,CMJWTVYVMCEPGG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.470,209-316-5,569-42-6,"Naphthalene-1,8-diol","naphthalene-1,8-diol",Oc1cccc2cccc(O)c12,Oc1cccc2cccc(O)c12,"InChI=1/C10H8O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12H",C10H8O2,,,,,,OENHRRVNRZBNNS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.476,209-322-8,569-64-2,"[4-[a-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3,"InChI=1/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1",C23H25N2.Cl,,,,,,FDZZZRQASAIRJF-UHFFFAOYSA-M,,,,,,,,,,,
100.008.478,209-324-9,569-77-7,"2,3,4,6-tetrahydroxybenzocyclohepten-5-one","2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one",OC1=CC=Cc2cc(O)c(O)c(O)c2C1=O,OC1=CC=Cc2cc(O)c(O)c(O)c2C1=O,"InChI=1/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)",C11H8O5,,,,,,WDGFFVCWBZVLCE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.300,210-228-4,610-54-8,"2,4-dinitrophenetole","1-ethoxy-2,4-dinitrobenzene",CCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3",C8H8N2O5,,,,,,YSOKMOXAGMIZFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.304,210-233-1,610-69-5,2-nitrophenyl acetate,2-nitrophenyl acetate,CC(=O)Oc1ccccc1[N+](=O)[O-],CC(=O)Oc1ccccc1[N+](=O)[O-],"InChI=1/C8H7NO4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3",C8H7NO4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17212,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.304,MRCKRGSNLOHYRA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.305,210-234-7,610-71-9,"2,5-dibromobenzoic acid","2,5-dibromobenzoic acid",OC(=O)c1cc(Br)ccc1Br,OC(=O)c1cc(Br)ccc1Br,"InChI=1/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)",C7H4Br2O2,,,,,,SQQKOTVDGCJJKI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.306,210-235-2,610-72-0,"2,5-dimethylbenzoic acid","2,5-dimethylbenzoic acid",Cc1ccc(C)c(c1)C(=O)O,Cc1ccc(C)c(c1)C(=O)O,"InChI=1/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O2,,,,,,XZRHNAFEYMSXRG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.309,210-238-9,610-91-3,"1,2,4-trimethyl-5-nitrobenzene","1,2,4-trimethyl-5-nitrobenzene",Cc1cc(C)c(cc1C)[N+](=O)[O-],Cc1cc(C)c(cc1C)[N+](=O)[O-],"InChI=1/C9H11NO2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3",C9H11NO2,,,,,,WILMQVBUVCETSB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.314,210-244-1,610-99-1,2'-hydroxypropiophenone,1-(2-hydroxyphenyl)propan-1-one,CCC(=O)c1ccccc1O,CCC(=O)c1ccccc1O,"InChI=1/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H3",C9H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16602,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.314,KDUWXMIHHIVXER-UHFFFAOYSA-N,,,,,,,,,,,
100.009.316,210-246-2,611-01-8,"2,4-dimethylbenzoic acid","2,4-dimethylbenzoic acid",Cc1ccc(C(=O)O)c(C)c1,Cc1ccc(C(=O)O)c(C)c1,"InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)",C9H10O2,,,,,,BKYWPNROPGQIFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.410,207-049-9,427-53-2,4-fluoro-a-cyclopropyl-a-(4-fluorophenyl)-benzylic alcohol,cyclopropyl[bis(4-fluorophenyl)]methanol,OC(C1CC1)(c2ccc(F)cc2)c3ccc(F)cc3,OC(C1CC1)(c2ccc(F)cc2)c3ccc(F)cc3,"InChI=1/C16H14F2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2",C16H14F2O,,,,,,YAKFETHTYBAIJR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.411,207-050-4,428-59-1,Trifluoro(trifluoromethyl)oxirane,"2,2,3-trifluoro-3-(trifluoromethyl)oxirane",FC(F)(F)C1(F)OC1(F)F,FC(F)(F)C1(F)OC1(F)F,"InChI=1/C3F6O/c4-1(2(5,6)7)3(8,9)10-1",C3F6O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5721,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.411,PGFXOWRDDHCDTE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.412,207-052-5,428-76-2,Bis(trifluoromethylsulphonyl)methane,(methylenedisulfonyl)bis(trifluoromethane),FC(F)(F)S(=O)(=O)CS(=O)(=O)C(F)(F)F,FC(F)(F)S(=O)(=O)CS(=O)(=O)C(F)(F)F,"InChI=1/C3H2F6O4S2/c4-2(5,6)14(10,11)1-15(12,13)3(7,8)9/h1H2",C3H2F6O4S2,,,,,,QBOFWVRRMVGXIG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.788,210-765-4,623-03-0,4-chlorobenzonitrile,4-chlorobenzonitrile,Clc1ccc(cc1)C#N,Clc1ccc(cc1)C#N,InChI=1/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,C7H4ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13585,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.788,GJNGXPDXRVXSEH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.789,210-767-5,623-04-1,4-aminobenzyl alcohol,(4-aminophenyl)methanol,Nc1ccc(CO)cc1,Nc1ccc(CO)cc1,"InChI=1/C7H9NO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2",C7H9NO,,,,,,AXKGIPZJYUNAIW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.790,210-768-0,623-05-2,4-hydroxybenzyl alcohol,4-(hydroxymethyl)phenol,OCc1ccc(O)cc1,OCc1ccc(O)cc1,"InChI=1/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2",C7H8O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16209,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.790,BVJSUAQZOZWCKN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.796,210-774-3,623-15-4,4-(2-furyl)but-3-en-2-one,4-(2-furyl)but-3-en-2-one,O=C(C)C=Cc1ccco1,O=C(C)C=Cc1ccco1,"InChI=1/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3",C8H8O2,,,,,,GBKGJMYPQZODMI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.797,210-775-9,623-17-6,Furfuryl acetate,2-furylmethyl acetate,CC(=O)OCc1occc1,CC(=O)OCc1occc1,"InChI=1/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3",C7H8O3,,,,,,CKOYRRWBOKMNRG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.808,210-787-4,623-33-6,Ethyl glycinate hydrochloride,ethyl glycinate hydrochloride,Cl.CCOC(=O)CN,Cl.CCOC(=O)CN,"InChI=1/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H",C4H9NO2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11579,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.808,TXTWXQXDMWILOF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.816,210-796-3,623-48-3,Ethyl iodoacetate,ethyl iodoacetate,CCOC(=O)CI,CCOC(=O)CI,"InChI=1/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3",C4H7IO2,,,,,,MFFXVVHUKRKXCI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.824,210-806-6,623-66-5,Octanoic anhydride,octanoic anhydride,CCCCCCCC(=O)OC(=O)CCCCCCC,CCCCCCCC(=O)OC(=O)CCCCCCC,"InChI=1/C16H30O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3",C16H30O3,,,,,,RAFYDKXYXRZODZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.833,210-816-0,623-82-5,(+)-3-methyladipic acid,3-methylhexanedioic acid,CC(CCC(=O)O)CC(=O)O,CC(CCC(=O)O)CC(=O)O,"InChI=1/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,SYEOWUNSTUDKGM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.835,210-818-1,623-90-5,Bis(2-ethoxyethyl) maleate,bis(2-ethoxyethyl) but-2-enedioate,CCOCCOC(=O)\\C=C/C(=O)OCCOCC,CCOCCOC(=O)\C=C/C(=O)OCCOCC,"InChI=1/C12H20O6/c1-3-15-7-9-17-11(13)5-6-12(14)18-10-8-16-4-2/h5-6H,3-4,7-10H2,1-2H3",C12H20O6,,,,,,FAOJZHMRXJJQCB-WAYWQWQTSA-N,,,,,,,,,,,
100.009.839,210-822-3,623-96-1,Dipropyl carbonate,dipropyl carbonate,CCCOC(=O)OCCC,CCCOC(=O)OCCC,"InChI=1/C7H14O3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3",C7H14O3,,,,,,VUPKGFBOKBGHFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.841,210-824-4,623-99-4,"4-oxo-9,11,13-octadecatrienoic acid","4-oxooctadeca-9,11,13-trienoic acid",O=C(CCCCC=CC=CC=CCCCC)CCC(O)=O,O=C(CCCCC=CC=CC=CCCCC)CCC(O)=O,"InChI=1/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)",C18H28O3,,,,,,DTRGDWOPRCXRET-UHFFFAOYSA-N,,,,,,,,,,,
100.009.843,210-827-0,624-04-4,Ethylene dilaurate,"ethane-1,2-diyl didodecanoate",CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC,"InChI=1/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-25(27)29-23-24-30-26(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C26H50O4,,,,,,ZVUNTIMPQCQCAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.090,208-898-8,546-28-1,"[3R-(3a,3aß,7ß,8aa)]-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene",cedr-8(15)-ene,CC1CCC2C(C)(C)C3CC12CCC3=C,CC1CCC2C(C)(C)C3CC12CCC3=C,"InChI=1/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3",C15H24,,,,,,DYLPEFGBWGEFBB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.576,208-331-4,522-57-6,"(6,7-dimethoxy-1-isoquinolyl) (3,4-dimethoxyphenyl) ketone","(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone",COc1ccc(cc1OC)C(=O)c2nccc3cc(OC)c(OC)cc23,COc1ccc(cc1OC)C(=O)c2nccc3cc(OC)c(OC)cc23,"InChI=1/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3",C20H19NO5,,,,,,QJTBIAMBPGGIGI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.584,208-340-3,523-21-7,"Disodium 3,4,5,6-tetraoxocyclohex-1-en-1,2-ylene dioxide","disodium 3,4,5,6-tetraoxocyclohex-1-ene-1,2-diolate",[Na]OC1=C(O[Na])C(=O)C(=O)C(=O)C1=O,[Na]OC1=C(O[Na])C(=O)C(=O)C(=O)C1=O,InChI=1/C6H2O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;;/q;2*+1/p-2,C6H2O6.2Na,,,,,,SXWPCWBFJXDMAI-UHFFFAOYSA-L,,,,,,,,,,,
100.007.590,208-347-1,523-67-1,"3-hydroxy-4-[(2-hydroxyphenyl)azo]-N-(2,4-xylyl)naphthalene-2-carboxamide","N-(2,4-dimethylphenyl)-3-hydroxy-4-[(2-hydroxyphenyl)diazenyl]-2-naphthamide",Cc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4ccccc4O)c2O)c(C)c1,Cc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4ccccc4O)c2O)c(C)c1,"InChI=1/C25H21N3O3/c1-15-11-12-20(16(2)13-15)26-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)28-27-21-9-5-6-10-22(21)29/h3-14,29-30H,1-2H3,(H,26,31)",C25H21N3O3,,,,,,JSSROCUNTZVPCI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.593,208-350-8,523-87-5,Dimenhydrinate,"8-chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1)",CN(C)CCOC(c1ccccc1)c2ccccc2.CN3C(=O)N(C)c4[nH]c(Cl)nc4C3=O,CN(C)CCOC(c1ccccc1)c2ccccc2.CN3C(=O)N(C)c4[nH]c(Cl)nc4C3=O,"InChI=1/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)",C17H21NO.C7H7ClN4O2,,,,,,NFLLKCVHYJRNRH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.598,208-356-0,524-35-6,"2-ammonio-6,9-dihydro-7,9-dimethyl-6-oxo-1H-purinium","2-ammonio-7,9-dimethyl-6-oxo-6,7,8,9-tetrahydro-1H-purin-1-ium",CN1CN(C)C2=C1N=C([NH3+])[NH2+]C2=O,CN1CN(C)C2=C1N=C([NH3+])[NH2+]C2=O,"InChI=1/C7H11N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,13)/p+2",C7H9N5O,,,,,,KKQKBURHSNOSCZ-UHFFFAOYSA-P,,,,,,,,,,,
100.007.605,208-363-9,524-63-0,Cupreine,"cinchonan-6',9-diol",O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccc(O)cc34,O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccc(O)cc34,"InChI=1/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2",C19H22N2O2,,,,,,VJFMSYZSFUWQPZ-BIPCEHGGSA-N,,,,,,,,,,,
100.007.611,208-370-7,525-21-3,"8-hydroxy-6,7-dimethoxy-2-benzopyrone","8-hydroxy-6,7-dimethoxy-2H-chromen-2-one",COc1cc2C=CC(=O)Oc2c(O)c1OC,COc1cc2C=CC(=O)Oc2c(O)c1OC,"InChI=1/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3",C11H10O5,,,,,,QNFBKOHHLAWWTC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.616,208-375-4,525-57-5,Harmalol,"1-methyl-4,9-dihydro-3H-beta-carbolin-7-ol",CC1=NCCc2c1[nH]c3cc(O)ccc23,CC1=NCCc2c1[nH]c3cc(O)ccc23,"InChI=1/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3",C12H12N2O,,,,,,RHVPEFQDYMMNSY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.948,207-642-2,486-84-0,Harman,1-methyl-9H-beta-carboline,Cc1nccc2c3ccccc3[nH]c12,Cc1nccc2c3ccccc3[nH]c12,"InChI=1/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3",C12H10N2,,,,,,PSFDQSOCUJVVGF-UHFFFAOYSA-N,Positive/Negative,UA000701,[M+H]+,CID35,183.0915:168.0681:142.065,UFZ_Additional_Specs,UA000702,[M-H]-,CID35,181.0771,UFZ_Additional_Specs
100.006.951,207-645-9,487-03-6,Harmol,1-methyl-9H-beta-carbolin-7-ol,Cc1nccc2c3ccc(O)cc3[nH]c12,Cc1nccc2c3ccc(O)cc3[nH]c12,"InChI=1/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3",C12H10N2O,,,,,,SATMZMMKDDTOSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.953,207-648-5,487-10-5,Azonaphthalene,di-1-naphthyldiazene,c1ccc2c(cccc2c1)N=Nc3cccc4ccccc34,c1ccc2c(cccc2c1)N=Nc3cccc4ccccc34,InChI=1/C20H14N2/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,C20H14N2,,,,,,ICIDZHMCYAIUIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.955,207-650-6,487-16-1,"(1,2-dihydro-2-oxo-3H-indol-3-al) thiosemicarbazone","2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbimidothioic acid",SC(=N)NN=C1C(=O)Nc2ccccc12,SC(=N)NN=C1C(=O)Nc2ccccc12,"InChI=1/C9H8N4OS/c10-9(15)13-12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4H,(H3,10,13,15)(H,11,12,14)",C9H8N4OS,,,,,,SLEMRAMJSGBARH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.961,207-656-9,487-48-9,Salacetamide,N-acetyl-2-hydroxybenzamide,CC(=O)NC(=O)c1ccccc1O,CC(=O)NC(=O)c1ccccc1O,"InChI=1/C9H9NO3/c1-6(11)10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,11,13)",C9H9NO3,,,,,,JZWFDVDETGFGFC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.962,207-657-4,487-51-4,Ethyl 2-methyl-4-oxocyclohex-2-enecarboxylate,ethyl 2-methyl-4-oxocyclohex-2-ene-1-carboxylate,CCOC(=O)C1CCC(=O)C=C1C,CCOC(=O)C1CCC(=O)C=C1C,"InChI=1/C10H14O3/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h6,9H,3-5H2,1-2H3",C10H14O3,,,,,,VLTANIMRIRCCOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.965,207-661-6,487-54-7,2-hydroxyhippuric acid,N-(2-hydroxybenzoyl)glycine,OC(=O)CNC(=O)c1ccccc1O,OC(=O)CNC(=O)c1ccccc1O,"InChI=1/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",C9H9NO4,,,,,,ONJSZLXSECQROL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.979,207-676-8,488-41-5,Mitobronitol,"1,6-dibromo-1,6-dideoxy-D-mannitol",O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr,O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr,"InChI=1/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2",C6H12Br2O4,,,,,,VFKZTMPDYBFSTM-KVTDHHQDSA-N,,,,,,,,,,,
100.012.195,213-414-3,945-48-2,Methyldiphenylarsine,methyl(diphenyl)arsine,C[As](c1ccccc1)c2ccccc2,C[As](c1ccccc1)c2ccccc2,"InChI=1/C13H13As/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",C13H13As,,,,,,CADPTFMOCGIPOI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.196,213-415-9,945-51-7,Diphenyl sulphoxide,"1,1'-sulfinyldibenzene",O=S(c1ccccc1)c2ccccc2,O=S(c1ccccc1)c2ccccc2,InChI=1/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C12H10OS,,,,,,JJHHIJFTHRNPIK-UHFFFAOYSA-N,Positive,SM808801,[M+H]+,HCD35,203.0524:186.0497:125.0055,CASMI_2016,,,,,
100.012.200,213-420-6,946-33-8,2-benzylcyclohexan-1-one,2-benzylcyclohexanone,O=C1CCCCC1Cc2ccccc2,O=C1CCCCC1Cc2ccccc2,"InChI=1/C13H16O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2",C13H16O,,,,,,CUYLPYBYCYQGCE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.202,213-422-7,946-49-6,(Z)-4-(4-nitrophenyl)-3-buten-2-one,4-(4-nitrophenyl)but-3-en-2-one,CC(=O)\\C=C/c1ccc(cc1)[N+](=O)[O-],CC(=O)\C=C/c1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H9NO3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h2-7H,1H3",C10H9NO3,,,,,,KMCRQJMZUHNLKJ-IHWYPQMZSA-N,,,,,,,,,,,
100.012.204,213-424-8,947-04-6,Dodecane-12-lactam,azacyclotridecan-2-one,O=C1CCCCCCCCCCCN1,O=C1CCCCCCCCCCCN1,"InChI=1/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)",C12H23NO,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13738,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.204,JHWNWJKBPDFINM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.206,213-426-9,947-19-3,Hydroxycyclohexyl phenyl ketone,(1-hydroxycyclohexyl)(phenyl)methanone,OC1(CCCCC1)C(=O)c2ccccc2,OC1(CCCCC1)C(=O)c2ccccc2,"InChI=1/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2",C13H16O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1936,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.206,QNODIIQQMGDSEF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.210,213-431-6,947-73-9,Phenanthren-9-amine,phenanthren-9-amine,Nc1cc2ccccc2c3ccccc13,Nc1cc2ccccc2c3ccccc13,"InChI=1/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2",C14H11N,,,,,,KIHQWOBUUIPWAN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.742,211-814-2,698-29-3,4-amino-2-methylpyrimidine-5-carbonitrile,4-amino-2-methylpyrimidine-5-carbonitrile,Cc1ncc(C#N)c(N)n1,Cc1ncc(C#N)c(N)n1,"InChI=1/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)",C6H6N4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7911,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.742,YBPNIILOUYAGIF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.744,211-816-3,698-63-5,5-nitro-2-furaldehyde,5-nitro-2-furaldehyde,[O-][N+](=O)c1oc(C=O)cc1,[O-][N+](=O)c1oc(C=O)cc1,InChI=1/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,C5H3NO4,,,,,,SXINBFXPADXIEY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.747,211-820-5,698-76-0,Tetrahydro-6-propyl-2H-pyran-2-one,6-propyltetrahydro-2H-pyran-2-one,CCCC1CCCC(=O)O1,CCCC1CCCC(=O)O1,"InChI=1/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3",C8H14O2,,,,,,FYTRVXSHONWYNE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.751,211-824-7,699-02-5,2-p-tolylethanol,2-(4-methylphenyl)ethanol,Cc1ccc(CCO)cc1,Cc1ccc(CCO)cc1,"InChI=1/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3",C9H12O,,,,,,DAVFJRVIVZOKKS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.753,211-826-8,699-10-5,Benzyl methyl disulphide,[(methyldisulfanyl)methyl]benzene,CSSCc1ccccc1,CSSCc1ccccc1,"InChI=1/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C8H10S2,,,,,,NWYGPVZOBBHKLI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.761,211-835-7,700-02-7,Adenine 1-oxide,9H-purin-6-amine 1-oxide,Nc1c2nc[nH]c2nc[n+]1[O-],Nc1c2nc[nH]c2nc[n+]1[O-],"InChI=1/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2H,6H2,(H,7,8,9)",C5H5N5O,,,,,,TXTRWVWGYHUIAI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.762,211-836-2,700-06-1,3-hydroxymethylindole,1H-indol-3-ylmethanol,OCc1c[nH]c2ccccc12,OCc1c[nH]c2ccccc12,"InChI=1/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2",C9H9NO,,,,,,IVYPNXXAYMYVSP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.763,211-837-8,700-12-9,Pentamethylbenzene,"1,2,3,4,5-pentamethylbenzene",Cc1cc(C)c(C)c(C)c1C,Cc1cc(C)c(C)c(C)c1C,"InChI=1/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3",C11H16,,,,,,BEZDDPMMPIDMGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.764,211-838-3,700-13-0,"2,3,5-trimethylhydroquinone","2,3,5-trimethylbenzene-1,4-diol",Cc1cc(O)c(C)c(C)c1O,Cc1cc(O)c(C)c(C)c1O,"InChI=1/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3",C9H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17295,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.764,AUFZRCJENRSRLY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.768,211-843-0,700-38-9,6-nitro-m-cresol,5-methyl-2-nitrophenol,Cc1ccc(c(O)c1)[N+](=O)[O-],Cc1ccc(c(O)c1)[N+](=O)[O-],"InChI=1/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3",C7H7NO3,,,,,,NQXUSSVLFOBRSE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.772,211-847-2,700-58-3,"Tricyclo[3.3.1.13,7]decan-2-one",adamantan-2-one,O=C1C2CC3CC(CC1C3)C2,O=C1C2CC3CC(CC1C3)C2,"InChI=1/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2",C10H14O,,,,,,IYKFYARMMIESOX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.773,211-848-8,700-60-7,(trichlorovinyl)benzene,(trichlorovinyl)benzene,ClC(=C(Cl)c1ccccc1)Cl,ClC(=C(Cl)c1ccccc1)Cl,InChI=1/C8H5Cl3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,C8H5Cl3,,,,,,SVHAMPNLOLKSFU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.775,211-850-9,700-65-2,Norephedrine,2-amino-1-phenylpropan-1-ol,C[C@@H](N)[C@@H](O)c1ccccc1,C[C@@H](N)[C@@H](O)c1ccccc1,"InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3",C9H13NO,,,,,,DLNKOYKMWOXYQA-VXNVDRBHSA-N,,,,,,,,,,,
100.009.321,210-252-5,611-09-6,"2,3-dihydro-5-nitroindole-2,3-dione","5-nitro-1H-indole-2,3-dione",[O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1,[O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1,"InChI=1/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)",C8H4N2O4,,,,,,UNMYHYODJHKLOC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.328,210-259-3,611-20-1,Salicylonitrile,salicylonitrile,Oc1ccccc1C#N,Oc1ccccc1C#N,"InChI=1/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H",C7H5NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5252,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.328,CHZCERSEMVWNHL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.331,210-263-5,611-24-5,o-(methylamino)phenol,2-(methylamino)phenol,CNc1ccccc1O,CNc1ccccc1O,"InChI=1/C7H9NO/c1-8-6-4-2-3-5-7(6)9/h2-5,8-9H,1H3",C7H9NO,,,,,,JHKKTXXMAQLGJB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.336,210-268-2,611-36-9,Quinolin-4-ol,quinolin-4-ol,Oc1ccnc2ccccc12,Oc1ccnc2ccccc12,"InChI=1/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)",C9H7NO,,,,,,PMZDQRJGMBOQBF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.342,210-275-0,611-70-1,Isobutyrophenone,2-methyl-1-phenylpropan-1-one,CC(C)C(=O)c1ccccc1,CC(C)C(=O)c1ccccc1,"InChI=1/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3",C10H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1890,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.342,BSMGLVDZZMBWQB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.345,210-278-7,611-73-4,Benzoylformic acid,oxo(phenyl)acetic acid,OC(=O)C(=O)c1ccccc1,OC(=O)C(=O)c1ccccc1,"InChI=1/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)",C8H6O3,,,,,,FAQJJMHZNSSFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.349,210-282-9,611-91-6,"2,3-dibromo-3-phenylpropiophenone","2,3-dibromo-1,3-diphenylpropan-1-one",BrC(C(Br)c1ccccc1)C(=O)c2ccccc2,BrC(C(Br)c1ccccc1)C(=O)c2ccccc2,"InChI=1/C15H12Br2O/c16-13(11-7-3-1-4-8-11)14(17)15(18)12-9-5-2-6-10-12/h1-10,13-14H",C15H12Br2O,,,,,,LYAGBKGGYRLVTR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.571,208-326-7,522-27-0,Di-2-furylethanedione dioxime,"1,2-di-2-furylethane-1,2-dione dioxime",ON=C(C(=NO)c1ccco1)c2ccco2,ON=C(C(=NO)c1ccco1)c2ccco2,"InChI=1/C10H8N2O4/c13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8/h1-6,13-14H",C10H8N2O4,,,,,,RBOZTFPIXJBLPK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.572,208-327-2,522-34-9,"(E,E)-diphenylethanedione dioxime","1,2-diphenylethane-1,2-dione dioxime",O\\N=C(\\C(=N\\O)\\c1ccccc1)/c2ccccc2,O\N=C(\C(=N\O)\c1ccccc1)/c2ccccc2,"InChI=1/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H",C14H12N2O2,,,,,,JJZONEUCDUQVGR-WXUKJITCSA-N,,,,,,,,,,,
100.007.579,208-335-6,522-70-3,"[2R-(2R*,3S*,6S*,7R*,8R*)]-8-butyl-3-(3-formamidosalicylamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate","8-butyl-3-[(4-formamido-3-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl pivalate (non-preferred name)",CCCCC1C(OC(=O)C(C)(C)C)C(C)OC(=O)C(NC(=O)c2ccc(NC=O)c(O)c2)C(C)OC1=O,CCCCC1C(OC(=O)C(C)(C)C)C(C)OC(=O)C(NC(=O)c2ccc(NC=O)c(O)c2)C(C)OC1=O,"InChI=1/C26H36N2O9/c1-7-8-9-17-21(37-25(34)26(4,5)6)15(3)36-24(33)20(14(2)35-23(17)32)28-22(31)16-10-11-18(27-13-29)19(30)12-16/h10-15,17,20-21,30H,7-9H2,1-6H3,(H,27,29)(H,28,31)",C26H36N2O9,,,,,,FTWZSUARMVINQU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.585,208-341-9,523-24-0,Diammonium phthalate,diammonium phthalate,[NH4+].[NH4+].[O-]C(=O)c1ccccc1C(=O)[O-],[NH4+].[NH4+].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.2H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H3",C8H6O4.2H3N,,,,,,CHCFOMQHQIQBLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.586,208-342-4,523-27-3,"9,10-dibromoanthracene","9,10-dibromoanthracene",Brc1c2ccccc2c(Br)c3ccccc13,Brc1c2ccccc2c(Br)c3ccccc13,InChI=1/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,C14H8Br2,,,,,,BRUOAURMAFDGLP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.588,208-345-0,523-42-2,1-(3-methylbutyl)-4-[[1-(3-methylbutyl)-4(1H)-quinolylidene]methyl]quinolinium iodide,1-(3-methylbutyl)-4-{[1-(3-methylbutyl)quinolin-4(1H)-ylidene]methyl}quinolinium iodide,[I-].CC(C)CC[n+]4ccc(C=C2/C=C\\N(CCC(C)C)c1ccccc12)c3ccccc34,[I-].CC(C)CC[n+]4ccc(C=C2/C=C\N(CCC(C)C)c1ccccc12)c3ccccc34,"InChI=1/C29H35N2.HI/c1-22(2)13-17-30-19-15-24(26-9-5-7-11-28(26)30)21-25-16-20-31(18-14-23(3)4)29-12-8-6-10-27(25)29;/h5-12,15-16,19-23H,13-14,17-18H2,1-4H3;1H/q+1;/p-1",C29H35N2.I,,,,,,QGKMIGUHVLGJBR-UHFFFAOYSA-M,,,,,,,,,,,
100.007.589,208-346-6,523-44-4,Sodium 4-[(4-hydroxy-1-naphthyl)azo]benzenesulphonate,sodium 4-[(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c3ccccc23,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c3ccccc23,"InChI=1/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1",C16H12N2O4S.Na,,,,,,AZLXCBPKSXFMET-UHFFFAOYSA-M,,,,,,,,,,,
100.007.591,208-348-7,523-68-2,N-(4-hydroxy-3-methyl-1-naphthyl)acetamide,N-(4-hydroxy-3-methyl-1-naphthyl)acetamide,CC(=O)Nc1cc(C)c(O)c2ccccc12,CC(=O)Nc1cc(C)c(O)c2ccccc12,"InChI=1/C13H13NO2/c1-8-7-12(14-9(2)15)10-5-3-4-6-11(10)13(8)16/h3-7,16H,1-2H3,(H,14,15)",C13H13NO2,,,,,,WBCVLLLKWZXXBK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.592,208-349-2,523-80-8,"5-allyl-4,7-dimethoxy-1,3-benzodioxole","5-allyl-4,7-dimethoxy-1,3-benzodioxole",COc1cc(CC=C)c(OC)c2OCOc12,COc1cc(CC=C)c(OC)c2OCOc12,"InChI=1/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3",C12H14O4,,,,,,QQRSPHJOOXUALR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.097,208-905-4,546-62-3,Verbascose,beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside,OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2",C30H52O26,,,,,,FLUADVWHMHPUCG-SWPIJASHSA-N,,,,,,,,,,,
100.008.104,208-913-8,546-88-3,Acetohydroxamic acid,N-hydroxyacetamide,CC(=O)NO,CC(=O)NO,"InChI=1/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)",C2H5NO2,,,,,,RRUDCFGSUDOHDG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.105,208-914-3,546-89-4,Lithium acetate,lithium acetate,[Li+].CC(=O)[O-],[Li+].CC(=O)[O-],"InChI=1/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4O2.Li,,,,,,XIXADJRWDQXREU-UHFFFAOYSA-M,,,,,,,,,,,
100.008.106,208-915-9,546-93-0,Magnesium carbonate,magnesium carbonate,[Mg+2].[O-]C(=O)[O-],[Mg+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Mg,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15234,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.106,ZLNQQNXFFQJAID-UHFFFAOYSA-L,,,,,,,,,,,
100.008.119,208-930-0,547-64-8,Methyl lactate,methyl 2-hydroxypropanoate,COC(=O)C(C)O,COC(=O)C(C)O,"InChI=1/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3",C4H8O3,,,,,,LPEKGGXMPWTOCB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.121,208-932-1,547-66-0,Magnesium oxalate,magnesium oxalate,[Mg+2].[O-]C(=O)C(=O)[O-],[Mg+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Mg/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Mg,,,,,,UHNWOJJPXCYKCG-UHFFFAOYSA-L,,,,,,,,,,,
100.009.057,209-961-2,599-00-8,Trifluoroacetic [2H]acid,trifluoroacetic acid,OC(=O)C(F)(F)F,OC(=O)C(F)(F)F,"InChI=1/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)",C2DF3O2,,,,,,DTQVDTLACAAQTR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.081,209-987-4,600-22-6,Methyl pyruvate,methyl 2-oxopropanoate,COC(=O)C(=O)C,COC(=O)C(=O)C,InChI=1/C4H6O3/c1-3(5)4(6)7-2/h1-2H3,C4H6O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18742,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.081,CWKLZLBVOJRSOM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.087,209-994-2,600-37-3,(±)-2-hydroxy-3-methylbutyric acid,2-hydroxy-3-methylbutanoic acid,CC(C)C(O)C(=O)O,CC(C)C(O)C(=O)O,"InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)",C5H10O3,,,,,,NGEWQZIDQIYUNV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.090,209-997-9,600-63-5,"3a,11ß,21-trihydroxy-5a-pregnan-20-one","3,11,21-trihydroxypregnan-20-one",C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3",C21H34O4,,,,,,RHQQHZQUAMFINJ-NZTKVECHSA-N,,,,,,,,,,,
100.009.091,209-998-4,601-01-4,"3a,17,21-trihydroxy-5a-pregnan-20-one","3,17,21-trihydroxypregnan-20-one",C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO,"InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3",C21H34O4,,,,,,UPTAPIKFKZGAGM-RBBWHVFISA-N,,,,,,,,,,,
100.009.092,210-000-4,601-03-6,"3ß,17,21-trihydroxy-5ß-pregnan-20-one","3,17,21-trihydroxypregnan-20-one",C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO,"InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3",C21H34O4,,,,,,UPTAPIKFKZGAGM-FOVYBZIDSA-N,,,,,,,,,,,
100.009.094,210-003-0,601-53-6,5-ß-cholestan-3-one,cholestan-3-one,CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,"InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3",C27H46O,,,,,,PESKGJQREUXSRR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.096,210-005-1,601-57-0,Cholest-4-en-3-one,cholest-4-en-3-one,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3",C27H44O,,,,,,NYOXRYYXRWJDKP-GYKMGIIDSA-N,,,,,,,,,,,
100.009.099,210-008-8,601-79-6,Isopropylmalonic acid,isopropylmalonic acid,CC(C)C(C(=O)O)C(=O)O,CC(C)C(C(=O)O)C(=O)O,"InChI=1/C6H10O4/c1-3(2)4(5(7)8)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)",C6H10O4,,,,,,DQEUFPARIOFOAI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.107,210-017-7,602-41-5,Thiocolchicoside,"N-[3-(beta-D-glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3CC[C@H](NC(=O)C)C4=CC(=O)C(=CC=C4c3c1OC)SC,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3CC[C@H](NC(=O)C)C4=CC(=O)C(=CC=C4c3c1OC)SC,"InChI=1/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)",C27H33NO10S,,,,,,LEQAKWQJCITZNK-AXHKHJLKSA-N,,,,,,,,,,,
100.006.416,207-056-7,429-07-2,Tetraethylammonium hexafluorophosphate,"N,N,N-triethylethanaminium hexafluorophosphate",CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F,CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F,"InChI=1/C8H20N.F6P/c1-5-9(6-2,7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1",C8H20N.F6P,,,,,,KLKUOIXSIDDDCN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.981,207-678-9,488-47-1,Tetrabromopyrocatechol,"3,4,5,6-tetrabromobenzene-1,2-diol",Oc1c(O)c(Br)c(Br)c(Br)c1Br,Oc1c(O)c(Br)c(Br)c(Br)c1Br,InChI=1/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H,C6H2Br4O2,,,,,,OAUWOBSDSJNJQP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.984,207-682-0,488-58-4,Epi-inositol,"cyclohexane-1,2,3,4,5,6-hexol",O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,C6H12O6,,,,,,CDAISMWEOUEBRE-NIPYSYMMSA-N,,,,,,,,,,,
100.006.985,207-683-6,488-69-7,"D-fructose 1,6-bis(dihydrogen phosphate)","1,6-di-O-phosphono-beta-D-fructofuranose",O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O)O,O[C@H]1[C@H](O)[C@@](O)(COP(=O)(O)O)O[C@@H]1COP(=O)(O)O,"InChI=1/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)",C6H14O12P2,,,,,,RNBGYGVWRKECFJ-ARQDHWQXSA-N,,,,,,,,,,,
100.006.986,207-684-1,488-70-0,"2,3,4,5-tetramethylphenol","2,3,4,5-tetramethylphenol",Cc1cc(O)c(C)c(C)c1C,Cc1cc(O)c(C)c(C)c1C,"InChI=1/C10H14O/c1-6-5-10(11)9(4)8(3)7(6)2/h5,11H,1-4H3",C10H14O,,,,,,PXSSNPBEHHJLDH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.989,207-687-8,488-84-6,D-erythro-pent-2-ulose,D-ribulose,OC[C@@H](O)[C@@H](O)C(=O)CO,OC[C@@H](O)[C@@H](O)C(=O)CO,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2",C5H10O5,,,,,,ZAQJHHRNXZUBTE-NQXXGFSBSA-N,,,,,,,,,,,
100.006.990,207-688-3,488-87-9,"2,5-dimethylresorcinol","2,5-dimethylbenzene-1,3-diol",Cc1cc(O)c(C)c(O)c1,Cc1cc(O)c(C)c(O)c1,"InChI=1/C8H10O2/c1-5-3-7(9)6(2)8(10)4-5/h3-4,9-10H,1-2H3",C8H10O2,,,,,,GHVHDYYKJYXFGU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.996,207-695-1,489-40-7,"[1aR-(1aa,4a,4aß,7ba)]-1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene","1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene",CC1CCC2C(C3=C(C)CCC13)C2(C)C,CC1CCC2C(C3=C(C)CCC13)C2(C)C,"InChI=1/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3",C15H24,,,,,,SPCXZDDGSGTVAW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.482,209-329-6,570-24-1,6-nitro-o-toluidine,2-methyl-6-nitroaniline,Cc1cccc(c1N)[N+](=O)[O-],Cc1cccc(c1N)[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3",C7H8N2O2,,,,,,FCMRHMPITHLLLA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.485,209-332-2,570-74-1,Cholest-5-ene,cholest-5-ene,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3",C27H46,,,,,,DTGDZMYNKLTSKC-HKQCOZBKSA-N,,,,,,,,,,,
100.008.487,209-334-3,571-20-0,"5-a-androstane-3-ß,17-ß-diol","androstane-3,17-diol",C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O,"InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3",C19H32O2,,,,,,CBMYJHIOYJEBSB-YSZCXEEOSA-N,,,,,,,,,,,
100.008.489,209-336-4,571-60-8,"Naphthalene-1,4-diol","naphthalene-1,4-diol",Oc1ccc(O)c2ccccc12,Oc1ccc(O)c2ccccc12,"InChI=1/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H",C10H8O2,,,,,,PCILLCXFKWDRMK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.490,209-338-5,571-61-9,"1,5-dimethylnaphthalene","1,5-dimethylnaphthalene",Cc1cccc2c(C)cccc12,Cc1cccc2c(C)cccc12,"InChI=1/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3",C12H12,,,,,,SDDBCEWUYXVGCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.492,209-340-6,572-59-8,(9R)-6'-methoxycinchonan-9-ol,6'-methoxycinchonan-9-ol,COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3",C20H24N2O2,,,,,,LOUPRKONTZGTKE-AFHBHXEDSA-N,,,,,,,,,,,
100.008.495,209-343-2,572-93-0,"2,7-dihydroxyanthraquinone","2,7-dihydroxy-9,10-anthraquinone",Oc1ccc2C(=O)c3ccc(O)cc3C(=O)c2c1,Oc1ccc2C(=O)c3ccc(O)cc3C(=O)c2c1,"InChI=1/C14H8O4/c15-7-1-3-9-11(5-7)14(18)12-6-8(16)2-4-10(12)13(9)17/h1-6,15-16H",C14H8O4,,,,,,RZTIWMXQXBQJNE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.500,209-349-5,573-09-1,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium hydrogen naphthalene-1,5-disulfonate",Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-],Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-],"InChI=1/C12H17N4OS.C10H8O6S2/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1-6H,(H,11,12,13)(H,14,15,16)/q+1;/p-2",C12H17N4OS.C10H7O6S2,,,,,,STJLLECREIYBCK-UHFFFAOYSA-L,,,,,,,,,,,
100.008.501,209-350-0,573-11-5,"2,3,4-trimethoxybenzoic acid","2,3,4-trimethoxybenzoic acid",COc1ccc(C(=O)O)c(OC)c1OC,COc1ccc(C(=O)O)c(OC)c1OC,"InChI=1/C10H12O5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)",C10H12O5,,,,,,HZNQSWJZTWOTKM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.784,211-860-3,701-82-6,(3-hydroxyphenyl)urea,1-(3-hydroxyphenyl)urea,NC(=O)Nc1cccc(O)c1,NC(=O)Nc1cccc(O)c1,"InChI=1/C7H8N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9,11)",C7H8N2O2,,,,,,IPRCBIWIPMJXIK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.786,211-862-4,701-99-5,Phenoxyacetyl chloride,phenoxyacetyl chloride,ClC(=O)COc1ccccc1,ClC(=O)COc1ccccc1,"InChI=1/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2",C8H7ClO2,,,,,,PKUPAJQAJXVUEK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.788,211-865-0,702-16-9,5-butyl-2-methylpyridine,5-butyl-2-methylpyridine,CCCCc1ccc(C)nc1,CCCCc1ccc(C)nc1,"InChI=1/C10H15N/c1-3-4-5-10-7-6-9(2)11-8-10/h6-8H,3-5H2,1-2H3",C10H15N,,,,,,GSYSNSTWMPZEQK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.789,211-866-6,702-23-8,p-methoxyphenethyl alcohol,2-(4-methoxyphenyl)ethanol,COc1ccc(CCO)cc1,COc1ccc(CCO)cc1,"InChI=1/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3",C9H12O2,,,,,,AUWDOZOUJWEPBA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.790,211-867-1,702-54-5,Diethadione,"5,5-diethyl-1,3-oxazinane-2,4-dione",CCC1(CC)COC(=O)NC1=O,CCC1(CC)COC(=O)NC1=O,"InChI=1/C8H13NO3/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11)",C8H13NO3,,,,,,ORTYMGHCFWKXHO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.791,211-868-7,702-62-5,"1,3-diazaspiro[4.5]decane-2,4-dione","1,3-diazaspiro[4.5]decane-2,4-dione",O=C1NC(=O)C2(CCCCC2)N1,O=C1NC(=O)C2(CCCCC2)N1,"InChI=1/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)",C8H12N2O2,,,,,,NERNEXMEYQFFHU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.591,211-649-6,678-41-1,"Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate","bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)",C20H9F34O4P,,,,,,AFWOYEYXUDHGHF-UHFFFAOYSA-N,Positive,EA292301|EA292303|EA292304|EA292305|EA292306|EA292307|EA292309|EA292310|EA292311|EA292312|EA292313|EA292314,[M+H]+,CID35|HCD30|HCD45|HCD60|HCD75|HCD90|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,544.9781|98.984|98.9839|98.984|98.9839|98.9839|98.9839|98.9839:325.9467|98.9839:325.9579|98.9839:325.947|98.9839|544.9787:325.9584,Eawag,,,,,
100.010.592,211-650-1,678-65-9,"3,3,4,4,5,5,6,6-octafluoroocta-1,7-diene","3,3,4,4,5,5,6,6-octafluoroocta-1,7-diene",FC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C8H6F8/c1-3-5(9,10)7(13,14)8(15,16)6(11,12)4-2/h3-4H,1-2H2",C8H6F8,,,,,,XRSMAKAYKVRPSA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.593,211-651-7,678-77-3,Hexafluoroglutaryl dichloride,hexafluoropentanedioyl dichloride,FC(F)(C(=O)Cl)C(F)(F)C(F)(F)C(=O)Cl,FC(F)(C(=O)Cl)C(F)(F)C(F)(F)C(=O)Cl,"InChI=1/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15",C5Cl2F6O2,,,,,,QOLALWJWCONGMG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.595,211-653-8,680-31-9,Hexamethylphosphoric triamide,"N,N,N',N',N'',N''-hexamethylphosphoric triamide",CN(C)P(=O)(N(C)C)N(C)C,CN(C)P(=O)(N(C)C)N(C)C,"InChI=1/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3",C6H18N3OP,,,,,,GNOIPBMMFNIUFM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.604,211-663-2,682-30-4,Diethyl vinylphosphonate,diethyl vinylphosphonate,CCOP(=O)(OCC)C=C,CCOP(=O)(OCC)C=C,"InChI=1/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3",C6H13O3P,,,,,,DREPONDJUKIQLX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.605,211-664-8,682-32-6,Fluorotripropylstannane,fluoro(tripropyl)stannane,CCC[Sn](F)(CCC)CCC,CCC[Sn](F)(CCC)CCC,"InChI=1/3C3H7.FH.Sn/c3*1-3-2;;/h3*1,3H2,2H3;1H;/q;;;;+1/p-1/rC9H21FSn/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3",C9H21FSn,,,,,,CWUPWQLKYNCKBJ-UHFFFAOYSA-M,,,,,,,,,,,
100.010.613,211-673-7,683-60-3,Sodium propan-2-olate,sodium propan-2-olate,[Na+].CC(C)[O-],[Na+].CC(C)[O-],"InChI=1/C3H7O.Na/c1-3(2)4;/h3H,1-2H3;/q-1;+1",C3H8O.Na,,,,,,WBQTXTBONIWRGK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.618,211-678-4,684-93-5,1-methyl-1-nitrosourea,1-methyl-1-nitrosourea,CN(N=O)C(=O)N,CN(N=O)C(=O)N,"InChI=1/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)",C2H5N3O2,,,,,,ZRKWMRDKSOPRRS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.619,211-680-5,685-27-8,"2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide","2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide",CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F,CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F,"InChI=1/C5H3F6NO2/c1-12(2(13)4(6,7)8)3(14)5(9,10)11/h1H3",C5H3F6NO2,,,,,,AWGBWLXGUPTXHF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.620,211-681-0,685-63-2,"1,1,2,3,4,4-hexafluorobuta-1,3-diene","1,1,2,3,4,4-hexafluorobuta-1,3-diene",FC(=C(F)C(=C(F)F)F)F,FC(=C(F)C(=C(F)F)F)F,InChI=1/C4F6/c5-1(3(7)8)2(6)4(9)10,C4F6,,,,,,LGPPATCNSOSOQH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.502,212-652-5,837-27-4,"Sodium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate","sodium (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate",[Na+].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O,[Na+].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O,"InChI=1/C9H10N4O4.Na/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1",C9H10N4O4.Na,,,,,,MSFVZSOKOXZSME-UHFFFAOYSA-M,,,,,,,,,,,
100.007.594,208-351-3,523-88-6,Bis(5-bromo-2-hydroxyphenyl)ethanedione,"1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione",Oc1ccc(Br)cc1C(=O)C(=O)c2cc(Br)ccc2O,Oc1ccc(Br)cc1C(=O)C(=O)c2cc(Br)ccc2O,"InChI=1/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H",C14H8Br2O4,,,,,,AAOYLOCWJSLLJU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.602,208-360-2,524-42-5,"1,2-naphthoquinone","naphthalene-1,2-dione",O=C1C=Cc2ccccc2C1=O,O=C1C=Cc2ccccc2C1=O,InChI=1/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,C10H6O2,,,,,,KETQAJRQOHHATG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.947,207-641-7,486-79-3,Dipyrocetyl,"2,3-diacetoxybenzoic acid",CC(=O)Oc1cccc(C(=O)O)c1OC(=O)C,CC(=O)Oc1cccc(C(=O)O)c1OC(=O)C,"InChI=1/C11H10O6/c1-6(12)16-9-5-3-4-8(11(14)15)10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)",C11H10O6,,,,,,NYIZXMGNIUSNKL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.954,207-649-0,487-11-6,"5-allyl-1,2,3-trimethoxybenzene","5-allyl-1,2,3-trimethoxybenzene",COc1cc(CC=C)cc(OC)c1OC,COc1cc(CC=C)cc(OC)c1OC,"InChI=1/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3",C12H16O3,,,,,,BPLQKQKXWHCZSS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.957,207-652-7,487-21-8,"Pteridine-2,4-diol monohydrate","pteridine-2,4-diol hydrate",O.Oc1nc(O)c2nccnc2n1,O.Oc1nc(O)c2nccnc2n1,"InChI=1/C6H4N4O2.H2O/c11-5-3-4(8-2-1-7-3)9-6(12)10-5;/h1-2H,(H2,8,9,10,11,12);1H2",C6H4N4O2,,,,,,IBZQAPHRDQGFJI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.963,207-659-5,487-52-5,"2',3,4,4'-tetrahydroxychalcone","1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one",Oc1ccc(C(=O)\\C=C\\c2ccc(O)c(O)c2)c(O)c1,Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1,"InChI=1/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H",C15H12O5,,,,,,AYMYWHCQALZEGT-ORCRQEGFSA-N,,,,,,,,,,,
100.006.964,207-660-0,487-53-6,Hydroxyprocaine,2-(diethylamino)ethyl 4-amino-2-hydroxybenzoate,CCN(CC)CCOC(=O)c1ccc(N)cc1O,CCN(CC)CCOC(=O)c1ccc(N)cc1O,"InChI=1/C13H20N2O3/c1-3-15(4-2)7-8-18-13(17)11-6-5-10(14)9-12(11)16/h5-6,9,16H,3-4,7-8,14H2,1-2H3",C13H20N2O3,,,,,,GHSCYMOJHVOGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.967,207-663-7,487-70-7,"2,4,6-trihydroxybenzaldehyde","2,4,6-trihydroxybenzaldehyde",Oc1cc(O)c(C=O)c(O)c1,Oc1cc(O)c(C=O)c(O)c1,"InChI=1/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H",C7H6O4,,,,,,BTQAJGSMXCDDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.968,207-664-2,487-72-9,trans-4-ethyltetrahydro-5-oxo-3-furoic acid,4-ethyl-5-oxotetrahydrofuran-3-carboxylic acid,CC[C@H]1[C@@H](COC1=O)C(=O)O,CC[C@H]1[C@@H](COC1=O)C(=O)O,"InChI=1/C7H10O4/c1-2-4-5(6(8)9)3-11-7(4)10/h4-5H,2-3H2,1H3,(H,8,9)",C7H10O4,,,,,,ZJVCDGMQVPAOQV-CRCLSJGQSA-N,,,,,,,,,,,
100.006.978,207-675-2,488-38-0,D-glycero-D-manno-heptitol,D-manno-heptitol,OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO,OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO,"InChI=1/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2",C7H16O7,,,,,,OXQKEKGBFMQTML-KVTDHHQDSA-N,,,,,,,,,,,
100.006.980,207-677-3,488-43-7,1-amino-1-deoxy-D-glucitol,1-amino-1-deoxy-D-glucitol,NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2",C6H15NO5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10068,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.980,SDOFMBGMRVAJNF-SLPGGIOYSA-N,,,,,,,,,,,
100.006.991,207-689-9,488-93-7,3-furoic acid,3-furoic acid,OC(=O)c1cocc1,OC(=O)c1cocc1,"InChI=1/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)",C5H4O3,,,,,,IHCCAYCGZOLTEU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.481,209-328-0,570-23-0,3-aminosalicylic acid,3-amino-2-hydroxybenzoic acid,Nc1cccc(C(=O)O)c1O,Nc1cccc(C(=O)O)c1O,"InChI=1/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)",C7H7NO3,,,,,,IQGMRVWUTCYCST-UHFFFAOYSA-N,,,,,,,,,,,
100.008.491,209-339-0,572-09-8,"2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl bromide","2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl bromide",CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3",C14H19BrO9,,,,,,CYAYKKUWALRRPA-RGDJUOJXSA-N,,,,,,,,,,,
100.008.496,209-344-8,572-96-3,"[R-[R*,R*-(E)]]-2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-diol","2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-diol",CC(C)CCCC(C)CCCC(C)CCCC(=CCc1c(C)c(O)c2ccccc2c1O)C,CC(C)CCCC(C)CCCC(C)CCCC(=CCc1c(C)c(O)c2ccccc2c1O)C,"InChI=1/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3",C31H48O2,,,,,,BUFJIHPUGZHTHL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.497,209-345-3,573-01-3,"Ammonium 1,4-dihydro-3-methyl-4-oxo-1-naphthylideneaminooxyacetate",ammonium {[(3-methyl-4-oxonaphthalen-1(4H)-ylidene)amino]oxy}acetate,[NH4+].[O-]C(=O)CON=C2/C=C(/C)C(=O)c1ccccc12,[NH4+].[O-]C(=O)CON=C2/C=C(/C)C(=O)c1ccccc12,"InChI=1/C13H11NO4.H3N/c1-8-6-11(14-18-7-12(15)16)9-4-2-3-5-10(9)13(8)17;/h2-6H,7H2,1H3,(H,15,16);1H3",C13H11NO4.H3N,,,,,,VFUBCAMCLXGWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.499,209-347-4,573-07-9,6-amino-5-hydroxynaphthalene-1-sulphonic acid,6-amino-5-hydroxynaphthalene-1-sulfonic acid,Nc1ccc2c(cccc2c1O)S(=O)(=O)O,Nc1ccc2c(cccc2c1O)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,GSGBLSFZYUSSSY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.418,207-058-8,429-42-5,Tetrabutylammonium tetrafluoroborate,"N,N,N-tributylbutan-1-aminium tetrafluoroborate",CCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F,CCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F,"InChI=1/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1",C16H36N.BF4,,,,,,NNZZSJSQYOFZAM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.426,207-067-7,430-71-7,Propionyl fluoride,propanoyl fluoride,CCC(=O)F,CCC(=O)F,"InChI=1/C3H5FO/c1-2-3(4)5/h2H2,1H3",C3H5FO,,,,,,WMFABESKCHGSRC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.427,207-068-2,430-85-3,"1,1-dibromo-2,2-difluoroethylene","1,1-dibromo-2,2-difluoroethene",FC(=C(Br)Br)F,FC(=C(Br)Br)F,InChI=1/C2Br2F2/c3-1(4)2(5)6,C2Br2F2,,,,,,VTFPVQZQUFXLFH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.430,207-071-9,431-35-6,"3-bromo-1,1,1-trifluoroacetone","3-bromo-1,1,1-trifluoroacetone",FC(F)(F)C(=O)CBr,FC(F)(F)C(=O)CBr,"InChI=1/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2",C3H2BrF3O,,,,,,ONZQYZKCUHFORE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.446,207-089-7,433-53-4,Methyl difluoroacetate,methyl difluoroacetate,COC(=O)C(F)F,COC(=O)C(F)F,"InChI=1/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3",C3H4F2O2,,,,,,CSSYKHYGURSRAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.449,207-092-3,433-95-4,"1,2-bis(trifluoromethyl)benzene","1,2-bis(trifluoromethyl)benzene",FC(F)(F)c1ccccc1C(F)(F)F,FC(F)(F)c1ccccc1C(F)(F)F,"InChI=1/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H",C8H4F6,,,,,,XXZOEDQFGXTEAD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.453,207-097-0,434-05-9,17ß-hydroxy-1-methyl-5a-androst-1-en-3-one acetate,1-methyl-3-oxoandrost-1-en-17-yl acetate,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C22H32O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h11,15,17-20H,5-10,12H2,1-4H3",C22H32O3,,,,,,PGAUJQOPTMSERF-QWQRBHLCSA-N,,,,,,,,,,,
100.006.461,207-105-2,434-75-3,2-chloro-6-fluorobenzoic acid,2-chloro-6-fluorobenzoic acid,OC(=O)c1c(F)cccc1Cl,OC(=O)c1c(F)cccc1Cl,"InChI=1/C7H4ClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)",C7H4ClFO2,,,,,,XNTIGDVFBDJLTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.463,207-107-3,434-90-2,Decafluorobiphenyl,decafluorobiphenyl,Fc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(F)c(F)c2F,Fc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(F)c(F)c2F,InChI=1/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16,C12F10,,,,,,ONUFSRWQCKNVSL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.852,210-837-5,624-22-6,2-methylhexan-1-ol,2-methylhexan-1-ol,CCCCC(C)CO,CCCCC(C)CO,"InChI=1/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3",C7H16O,,,,,,LCFKURIJYIJNRU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.853,210-838-0,624-24-8,Methyl valerate,methyl valerate,CCCCC(=O)OC,CCCCC(=O)OC,"InChI=1/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3",C6H12O2,,,,,,HNBDRPTVWVGKBR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.854,210-839-6,624-28-2,"2,5-dibromopyridine","2,5-dibromopyridine",Brc1ccc(Br)nc1,Brc1ccc(Br)nc1,InChI=1/C5H3Br2N/c6-4-1-2-5(7)8-3-4/h1-3H,C5H3Br2N,,,,,,ZHXUWDPHUQHFOV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.856,210-841-7,624-31-7,4-iodotoluene,1-iodo-4-methylbenzene,Cc1ccc(I)cc1,Cc1ccc(I)cc1,"InChI=1/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",C7H7I,,,,,,UDHAWRUAECEBHC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.862,210-848-5,624-48-6,Dimethyl maleate,dimethyl but-2-enedioate,COC(=O)\\C=C/C(=O)OC,COC(=O)\C=C/C(=O)OC,"InChI=1/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3",C6H8O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10938,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.862,LDCRTTXIJACKKU-ARJAWSKDSA-N,,,,,,,,,,,
100.009.866,210-852-7,624-54-4,Pentyl propionate,pentyl propionate,CCCCCOC(=O)CC,CCCCCOC(=O)CC,"InChI=1/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3",C8H16O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11188,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.866,TWSRVQVEYJNFKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.867,210-853-2,624-59-9,Ethylenediamine dihydrobromide,"ethane-1,2-diamine dihydrobromide",Br.Br.NCCN,Br.Br.NCCN,InChI=1/C2H8N2.2BrH/c3-1-2-4;;/h1-4H2;2*1H,C2H8N2.2BrH,,,,,,BCQZYUOYVLJOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.868,210-854-8,624-60-2,Ethyl(methyl)ammonium chloride,N-methylethanaminium chloride,[Cl-].CC[NH2+]C,[Cl-].CC[NH2+]C,"InChI=1/C3H9N.ClH/c1-3-4-2;/h4H,3H2,1-2H3;1H",C3H9N.ClH,,,,,,GEHLEADVHVVTET-UHFFFAOYSA-N,,,,,,,,,,,
100.009.870,210-856-9,624-65-7,3-chloropropyne,3-chloroprop-1-yne,ClCC#C,ClCC#C,"InChI=1/C3H3Cl/c1-2-3-4/h1H,3H2",C3H3Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10995,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.870,LJZPPWWHKPGCHS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.871,210-857-4,624-67-9,2-propynal,propiolaldehyde,O=CC#C,O=CC#C,"InChI=1/C3H2O/c1-2-3-4/h1,3H",C3H2O,,,,,,IJNJLGFTSIAHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.875,210-862-1,624-78-2,Ethyl(methyl)amine,N-methylethanamine,CCNC,CCNC,"InChI=1/C3H9N/c1-3-4-2/h4H,3H2,1-2H3",C3H9N,,,,,,LIWAQLJGPBVORC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.878,210-865-8,624-82-8,Formamide oxime,N'-hydroxyimidoformamide,NC=NO,NC=NO,"InChI=1/CH4N2O/c2-1-3-4/h1,4H,(H2,2,3)",CH4N2O,,,,,,IONSZLINWCGRRI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.513,209-363-1,573-97-7,1-bromo-2-naphthol,1-bromo-2-naphthol,Oc1ccc2ccccc2c1Br,Oc1ccc2ccccc2c1Br,"InChI=1/C10H7BrO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H",C10H7BrO,,,,,,FQJZPYXGPYJJIH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.514,209-364-7,573-98-8,"1,2-dimethylnaphthalene","1,2-dimethylnaphthalene",Cc1ccc2ccccc2c1C,Cc1ccc2ccccc2c1C,"InChI=1/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",C12H12,,,,,,QNLZIZAQLLYXTC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.517,209-367-3,574-13-0,"(E)-2-hydroxy-1,2-diphenylethan-1-one oxime","2-hydroxy-1,2-diphenylethanone oxime",O\\N=C(\\C(O)c1ccccc1)/c2ccccc2,O\N=C(\C(O)c1ccccc1)/c2ccccc2,"InChI=1/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H",C14H13NO2,,,,,,WAKHLWOJMHVUJC-FYWRMAATSA-N,,,,,,,,,,,
100.008.526,209-377-8,574-92-5,4-hydroxy-7-trifluoromethylquinoline-3-carboxylic acid,4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid,OC(=O)c1cnc2cc(ccc2c1O)C(F)(F)F,OC(=O)c1cnc2cc(ccc2c1O)C(F)(F)F,"InChI=1/C11H6F3NO3/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18/h1-4H,(H,15,16)(H,17,18)",C11H6F3NO3,,,,,,BIRIVPOTERXIOW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.527,209-378-3,574-93-6,"29H,31H-phthalocyanine","29H,31H-phthalocyanine",c1ccc2c(c1)c3nc2nc4[nH]c(nc5nc(nc6[nH]c(n3)c7ccccc67)c8ccccc58)c9ccccc49,c1ccc2c(c1)c3nc2nc4[nH]c(nc5nc(nc6[nH]c(n3)c7ccccc67)c8ccccc58)c9ccccc49,"InChI=1/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)",C32H18N8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10479,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.527,WWAHFHFLCAILEI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.528,209-379-9,574-98-1,N-2-bromoethylphthalimide,"2-(2-bromoethyl)-1H-isoindole-1,3(2H)-dione",BrCCN1C(=O)c2ccccc2C1=O,BrCCN1C(=O)c2ccccc2C1=O,"InChI=1/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2",C10H8BrNO2,,,,,,CHZXTOCAICMPQR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.782,207-458-2,472-97-9,"4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-ol","4,4,8-trimethyltricyclo[6.3.1.0~2,5~]dodecan-1-ol",CC12CCCC(O)(C1)C3CC(C)(C)C3CC2,CC12CCCC(O)(C1)C3CC(C)(C)C3CC2,"InChI=1/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3",C15H26O,,,,,,FUQAYSQLAOJBBC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.785,207-461-9,473-29-0,"N,N-dichlorobenzenesulphonamide","N,N-dichlorobenzenesulfonamide",ClN(Cl)S(=O)(=O)c1ccccc1,ClN(Cl)S(=O)(=O)c1ccccc1,"InChI=1/C6H5Cl2NO2S/c7-9(8)12(10,11)6-4-2-1-3-5-6/h1-5H",C6H5Cl2NO2S,,,,,,PJBJJXCZRAHMCK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.787,207-464-5,473-35-8,2-(3-carboxycyclopentyl)-2-methylpropionic acid,3-(1-carboxy-1-methylethyl)cyclopentanecarboxylic acid,CC(C)(C1CCC(C1)C(=O)O)C(=O)O,CC(C)(C1CCC(C1)C(=O)O)C(=O)O,"InChI=1/C10H16O4/c1-10(2,9(13)14)7-4-3-6(5-7)8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)",C10H16O4,,,,,,QSRHRQWRLFGZKS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.788,207-465-0,473-47-2,"2,2,3-trimethylcyclopentaneacetic acid","(2,2,3-trimethylcyclopentyl)acetic acid",CC1CCC(CC(=O)O)C1(C)C,CC1CCC(CC(=O)O)C1(C)C,"InChI=1/C10H18O2/c1-7-4-5-8(6-9(11)12)10(7,2)3/h7-8H,4-6H2,1-3H3,(H,11,12)",C10H18O2,,,,,,ZSIJHYWOSUSCDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.791,207-468-7,473-61-0,"2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.793,207-470-8,473-67-6,"4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=CC(O)C2CC1C2(C)C,CC1=CC(O)C2CC1C2(C)C,"InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3",C10H16O,,,,,,WONIGEXYPVIKFS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.796,207-473-4,473-90-5,Mesoxalic acid,oxomalonic acid,OC(=O)C(=O)C(=O)O,OC(=O)C(=O)C(=O)O,"InChI=1/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)",C3H2O5,,,,,,XEEVLJKYYUVTRC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.802,207-480-2,474-10-2,"Endo-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid",CC1(C)C2CCC(C2)C1C(=O)O,CC1(C)C2CCC(C2)C1C(=O)O,"InChI=1/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)",C10H16O2,,,,,,KJKODDSNIDHCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.806,207-484-4,474-62-4,(24R)-ergost-5-en-3ß-ol,ergost-5-en-3-ol,CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3",C28H48O,,,,,,SGNBVLSWZMBQTH-PODYLUTMSA-N,,,,,,,,,,,
100.006.812,207-491-2,475-20-7,"[1S-(1a,3aß,4a,8aß)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene","4,8,8-trimethyl-9-methylenedecahydro-1,4-methanoazulene",CC1(C)CCCC2(C)C3CCC(C13)C2=C,CC1(C)CCCC2(C)C3CCC(C13)C2=C,"InChI=1/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3",C15H24,,,,,,PDSNLYSELAIEBU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.503,212-653-0,837-32-1,1-cyclohexyl-5-ethylbarbituric acid,"1-cyclohexyl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,"InChI=1/C12H18N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,13,15,17)",C12H18N2O3,,,,,,WCCUCVYMWMWXAG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.506,212-656-7,838-57-3,Ethyl 4-nitrobenzoylacetate,ethyl 3-(4-nitrophenyl)-3-oxopropanoate,CCOC(=O)CC(=O)c1ccc(cc1)[N+](=O)[O-],CCOC(=O)CC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3",C11H11NO5,,,,,,NGRXSVFCLHVGKU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.507,212-657-2,838-85-7,Diphenyl hydrogen phosphate,diphenyl hydrogen phosphate,OP(=O)(Oc1ccccc1)Oc2ccccc2,OP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)",C12H11O4P,,,,,,ASMQGLCHMVWBQR-UHFFFAOYSA-N,Positive/Negative,SM822501;SM881501,[M+H]+;[M+H]+,HCD35;HCD35,251.0469:95.0492:153.0699;251.0468:95.0492:153.0699,CASMI_2016;CASMI_2016,SM822551;SM881554,[M-H]-;[M-H]-,HCD35;HCD35,249.0323:154.9904:173.0008;249.0322:154.9904:173.0009,CASMI_2016;CASMI_2016
100.011.508,212-658-8,838-88-0,"4,4'-methylenedi-o-toluidine","4,4'-methylenebis(2-methylaniline)",Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,"InChI=1/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3",C15H18N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19096,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.508,WECDUOXQLAIPQW-UHFFFAOYSA-N,Positive,UF414201|UF414202|UF414203|UF414204,[M+H]+,HCD55|HCD80|CID35|CID55,184.1003:185.1081|184.1003|184.1004:185.1082|185.1082,UFZ,,,,,
100.011.378,212-516-5,823-55-2,"2,4-dimethylcyclohexan-1-one","2,4-dimethylcyclohexanone",CC1CCC(=O)C(C)C1,CC1CCC(=O)C(C)C1,"InChI=1/C8H14O/c1-6-3-4-8(9)7(2)5-6/h6-7H,3-5H2,1-2H3",C8H14O,,,,,,SWILKIQCGDTBQV-UHFFFAOYSA-N,,,,,,,,,,,
100.011.389,212-528-0,824-40-8,Pyridine-2-carboxylic acid 1-oxide,pyridine-2-carboxylic acid 1-oxide,OC(=O)c1cccc[n+]1[O-],OC(=O)c1cccc[n+]1[O-],"InChI=1/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9)",C6H5NO3,,,,,,FHYMLBVGNFVFBT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.392,212-531-7,824-55-5,4-(chloromethyl)-m-xylene,"1-(chloromethyl)-2,4-dimethylbenzene",Cc1ccc(CCl)c(C)c1,Cc1ccc(CCl)c(C)c1,"InChI=1/C9H11Cl/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6H2,1-2H3",C9H11Cl,,,,,,BETNPSBTDMBHCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.393,212-532-2,824-62-4,Bicyclo[2.2.1]heptane-2-carboxylic acid,bicyclo[2.2.1]heptane-2-carboxylic acid,OC(=O)C1CC2CCC1C2,OC(=O)C1CC2CCC1C2,"InChI=1/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)",C8H12O2,,,,,,JESWDXIHOJGWBP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.398,212-538-5,824-79-3,Sodium toluene-4-sulphinate,sodium 4-methylbenzenesulfinate,[Na+].Cc1ccc(cc1)S(=O)[O-],[Na+].Cc1ccc(cc1)S(=O)[O-],"InChI=1/C7H8O2S.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1",C7H8O2S.Na,,,,,,KFZUDNZQQCWGKF-UHFFFAOYSA-M,,,,,,,,,,,
100.011.411,212-552-1,826-10-8,"(R)-N,a-dimethylphenethylamine hydrochloride",N-methyl-1-phenylpropan-2-amine hydrochloride,Cl.CN[C@H](C)Cc1ccccc1,Cl.CN[C@H](C)Cc1ccccc1,"InChI=1/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H",C10H15N.ClH,,,,,,TWXDDNPPQUTEOV-SBSPUUFOSA-N,,,,,,,,,,,
100.011.412,212-553-7,826-18-6,1-pentenylbenzene,pent-1-en-1-ylbenzene,CCCC=Cc1ccccc1,CCCC=Cc1ccccc1,"InChI=1/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h4-10H,2-3H2,1H3",C11H14,,,,,,KHMYONNPZWOTKW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.420,212-562-6,826-81-3,2-methylquinolin-8-ol,2-methylquinolin-8-ol,Cc1ccc2cccc(O)c2n1,Cc1ccc2cccc(O)c2n1,"InChI=1/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3",C10H9NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1430,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.420,NBYLBWHHTUWMER-UHFFFAOYSA-N,,,,,,,,,,,
100.011.421,212-563-1,826-85-7,1-phenylpyrazol-5-ylamine,1-phenyl-1H-pyrazol-5-amine,Nc1ccnn1c2ccccc2,Nc1ccnn1c2ccccc2,"InChI=1/C9H9N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,10H2",C9H9N3,,,,,,ZVNYYNAAEVZNDW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.422,212-564-7,827-08-7,"1,2-dibromo-3,4,5,6-tetrafluorobenzene","1,2-dibromo-3,4,5,6-tetrafluorobenzene",Fc1c(F)c(F)c(Br)c(Br)c1F,Fc1c(F)c(F)c(Br)c(Br)c1F,InChI=1/C6Br2F4/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6Br2F4,,,,,,IPLUWQPTPKNBRD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.217,213-438-4,949-36-0,DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride,"4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol hydrochloride",Cl.CC(C)NCC(O)c1ccc(O)c(O)c1,Cl.CC(C)NCC(O)c1ccc(O)c(O)c1,"InChI=1/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H",C11H17NO3.ClH,,,,,,IROWCYIEJAOFOW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.219,213-441-0,949-56-4,"3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane","3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane",[O-][N+](=O)N1CN2CN(CN(C2)[N+](=O)[O-])C1,[O-][N+](=O)N1CN2CN(CN(C2)[N+](=O)[O-])C1,InChI=1/C5H10N6O4/c12-10(13)8-2-6-1-7(4-8)5-9(3-6)11(14)15/h1-5H2,C5H10N6O4,,,,,,UOYIYWCAYFTQLH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.220,213-442-6,949-67-7,Ethyl L-tyrosinate,ethyl L-tyrosinate,CCOC(=O)[C@@H](N)Cc1ccc(O)cc1,CCOC(=O)[C@@H](N)Cc1ccc(O)cc1,"InChI=1/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3",C11H15NO3,,,,,,SBBWEQLNKVHYCX-JTQLQIEISA-N,,,,,,,,,,,
100.008.503,209-352-1,573-20-6,Menadiol di(acetate),"2-methylnaphthalene-1,4-diyl diacetate",CC(=O)Oc1cc(C)c(OC(=O)C)c2ccccc12,CC(=O)Oc1cc(C)c(OC(=O)C)c2ccccc12,"InChI=1/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3",C15H14O4,,,,,,RYWSYCQQUDFMAU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.505,209-354-2,573-33-1,"2,4,5-triphenyl-2-imidazoline","2,4,5-triphenyl-4,5-dihydro-1H-imidazole",N1C(C(N=C1c2ccccc2)c3ccccc3)c4ccccc4,N1C(C(N=C1c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C21H18N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15,19-20H,(H,22,23)",C21H18N2,,,,,,UCCFUHZMGXEALP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.518,209-368-9,574-17-4,"1-acetyl-1H-indole-2,3-dione","1-acetyl-1H-indole-2,3-dione",CC(=O)N1C(=O)C(=O)c2ccccc12,CC(=O)N1C(=O)C(=O)c2ccccc12,"InChI=1/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3",C10H7NO3,,,,,,LPGDEHBASRKTDG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.521,209-372-0,574-64-1,"Pentasodium 4,4'-[(3-sulphonato[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-aminonaphthalene-2,7-disulphonate]","pentasodium 4,4'-[(3-sulfonatobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-aminonaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cc(c(N)c6N=Nc2ccc(cc2)c5ccc(N=Nc3c4ccc(cc4cc(c3N)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cc(c(N)c6N=Nc2ccc(cc2)c5ccc(N=Nc3c4ccc(cc4cc(c3N)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C32H24N6O15S5.5Na/c33-29-27(57(48,49)50)14-18-11-21(54(39,40)41)6-8-23(18)31(29)37-35-20-4-1-16(2-5-20)17-3-10-25(26(13-17)56(45,46)47)36-38-32-24-9-7-22(55(42,43)44)12-19(24)15-28(30(32)34)58(51,52)53;;;;;/h1-15H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5",C32H24N6O15S5.5Na,,,,,,RBDJQFKUZPMOFH-UHFFFAOYSA-I,,,,,,,,,,,
100.008.525,209-376-2,574-84-5,"7,8-dihydroxy-6-methoxy-2-benzopyrone","7,8-dihydroxy-6-methoxy-2H-chromen-2-one",COc1cc2C=CC(=O)Oc2c(O)c1O,COc1cc2C=CC(=O)Oc2c(O)c1O,"InChI=1/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",C10H8O5,,,,,,HAVWRBANWNTOJX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.529,209-380-4,575-36-0,N-1-naphthylacetamide,N-1-naphthylacetamide,CC(=O)Nc1cccc2ccccc12,CC(=O)Nc1cccc2ccccc12,"InChI=1/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)",C12H11NO,,,,,,OKQIEBVRUGLWOR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.784,207-460-3,473-03-0,"1-(6-(2,2-dimethyl-6-methylenecyclohexyl)-4-methylhex-3-enyl)decahydro-2,5,5,8a-tetramethyl-2-naphthol","1-[6-(2,2-dimethyl-6-methylenecyclohexyl)-4-methylhex-3-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol",C=C3CCCC(C)(C)C3CCC(C)=CCCC1C2(C)CCCC(C)(C)C2CCC1(C)O,C=C3CCCC(C)(C)C3CCC(C)=CCCC1C2(C)CCCC(C)(C)C2CCC1(C)O,"InChI=1/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3",C30H52O,,,,,,BIADSXOKHZFLSN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.790,207-467-1,473-55-2,"2,6,6-trimethylbicyclo[3.1.1]heptane","2,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,CC1CCC2CC1C2(C)C,"InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3",C10H18,,,,,,XOKSLPVRUOBDEW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.800,207-478-1,474-08-8,"Solanidan-3-ol, (3ß,5a)-",solanidan-3-ol,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,"InChI=1/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3",C27H45NO,,,,,,JALVTHFTYRPDMB-HRRTYWNUSA-N,,,,,,,,,,,
100.006.801,207-479-7,474-09-9,"Exo-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid",CC1(C)C2CCC(C2)C1C(=O)O,CC1(C)C2CCC(C2)C1C(=O)O,"InChI=1/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)",C10H16O2,,,,,,KJKODDSNIDHCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.805,207-483-9,474-45-3,3a-amino-5a-pregnan-20-one,3-aminopregnan-20-one,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3",C21H35NO,,,,,,POWBIOMTXFDIOP-SYBPFIFISA-N,,,,,,,,,,,
100.006.814,207-493-3,475-26-3,"1,1'-(2,2,2-trichloroethylidene)bis(p-fluorobenzene)","1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-fluorobenzene)",Fc1ccc(cc1)C(c2ccc(F)cc2)C(Cl)(Cl)Cl,Fc1ccc(cc1)C(c2ccc(F)cc2)C(Cl)(Cl)Cl,"InChI=1/C14H9Cl3F2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13H",C14H9Cl3F2,,,,,,CLSXNIPAOWPLFR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.815,207-494-9,475-31-0,"N-(3-a,7-a,12-a-trihydroxycholan-24-oyl)glycine","N-(3,7,12-trihydroxy-24-oxocholan-24-yl)glycine",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)",C26H43NO6,,,,,,RFDAIACWWDREDC-MZMBZMQMSA-N,,,,,,,,,,,
100.009.879,210-866-3,624-83-9,Methyl isocyanate,isocyanatomethane,CN=C=O,CN=C=O,InChI=1/C2H3NO/c1-3-2-4/h1H3,C2H3NO,,,,,,HAMGRBXTJNITHG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.880,210-867-9,624-84-0,Formylhydrazine,formic hydrazide,NNC=O,NNC=O,"InChI=1/CH4N2O/c2-3-1-4/h1H,2H2,(H,3,4)",CH4N2O,,,,,,XZBIXDPGRMLSTC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.884,210-872-6,624-95-3,"3,3-dimethylbutan-1-ol","3,3-dimethylbutan-1-ol",CC(C)(C)CCO,CC(C)(C)CCO,"InChI=1/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3",C6H14O,,,,,,DUXCSEISVMREAX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.888,210-876-8,625-04-7,4-amino-4-methylpentan-2-one,4-amino-4-methylpentan-2-one,CC(=O)CC(C)(C)N,CC(=O)CC(C)(C)N,"InChI=1/C6H13NO/c1-5(8)4-6(2,3)7/h4,7H2,1-3H3",C6H13NO,,,,,,CQTRUFMMCCOKTA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.889,210-877-3,625-06-9,"2,4-dimethylpentan-2-ol","2,4-dimethylpentan-2-ol",CC(C)CC(C)(C)O,CC(C)CC(C)(C)O,"InChI=1/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3",C7H16O,,,,,,FMLSQAUAAGVTJO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.890,210-878-9,625-15-0,tert-pentylurea,"1-(1,1-dimethylpropyl)urea",CCC(C)(C)NC(=O)N,CCC(C)(C)NC(=O)N,"InChI=1/C6H14N2O/c1-4-6(2,3)8-5(7)9/h4H2,1-3H3,(H3,7,8,9)",C6H14N2O,,,,,,OVUWGANMOQIFHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.893,210-882-0,625-25-2,2-methylheptan-2-ol,2-methylheptan-2-ol,CCCCCC(C)(C)O,CCCCCC(C)(C)O,"InChI=1/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3",C8H18O,,,,,,ACBMYYVZWKYLIP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.260,207-985-8,504-17-6,2-thiobarbituric acid,"2-thioxodihydropyrimidine-4,6(1H,5H)-dione",O=C1CC(=O)NC(=S)N1,O=C1CC(=O)NC(=S)N1,"InChI=1/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)",C4H4N2O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18044,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.260,RVBUGGBMJDPOST-UHFFFAOYSA-N,,,,,,,,,,,
100.007.261,207-986-3,504-20-1,"2,6-dimethylhepta-2,5-dien-4-one","2,6-dimethylhepta-2,5-dien-4-one",CC(=CC(=O)C=C(C)C)C,CC(=CC(=O)C=C(C)C)C,"InChI=1/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3",C9H14O,,,,,,MTZWHHIREPJPTG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.276,208-003-0,504-88-1,3-nitropropionic acid,3-nitropropanoic acid,OC(=O)CC[N+](=O)[O-],OC(=O)CC[N+](=O)[O-],"InChI=1/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)",C3H5NO4,,,,,,WBLZUCOIBUDNBV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.277,208-004-6,505-10-2,3-(methylthio)propanol,3-(methylsulfanyl)propan-1-ol,CSCCCO,CSCCCO,"InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3",C4H10OS,,,,,,CZUGFKJYCPYHHV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.286,208-014-0,505-57-7,Hex-2-enal,hex-2-enal,CCCC=CC=O,CCCC=CC=O,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3",C6H10O,,,,,,MBDOYVRWFFCFHM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.288,208-016-1,505-66-8,"Perhydro-1,4-diazepine","1,4-diazepane",C1CNCCNC1,C1CNCCNC1,"InChI=1/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2",C5H12N2,,,,,,FQUYSHZXSKYCSY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.295,208-024-5,505-90-8,(Z)-4-decenoic acid,dec-4-enoic acid,CCCCC\\C=C/CCC(=O)O,CCCCC\C=C/CCC(=O)O,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)",C10H18O2,,,,,,XKZKQTCECFWKBN-SREVYHEPSA-N,,,,,,,,,,,
100.007.296,208-025-0,505-95-3,12-hydroxydodecanoic acid,12-hydroxydodecanoic acid,OCCCCCCCCCCCC(=O)O,OCCCCCCCCCCCC(=O)O,"InChI=1/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)",C12H24O3,,,,,,ZDHCZVWCTKTBRY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.298,208-027-1,506-12-7,Heptadecanoic acid,heptadecanoic acid,CCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",C17H34O2,,,,,,KEMQGTRYUADPNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.299,208-028-7,506-13-8,16-hydroxyhexadecanoic acid,16-hydroxyhexadecanoic acid,OCCCCCCCCCCCCCCCC(=O)O,OCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)",C16H32O3,,,,,,UGAGPNKCDRTDHP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.302,208-031-3,506-30-9,Icosanoic acid,icosanoic acid,CCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",C20H40O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11014,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.302,VKOBVWXKNCXXDE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.306,208-036-0,506-38-7,Pentacosanoic acid,pentacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)",C25H50O2,,,,,,MWMPEAHGUXCSMY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.308,208-038-1,506-43-4,"(9Z,12Z)-octadeca-9,12-dien-1-ol","octadeca-9,12-dien-1-ol",CCCCC\\C=C/C\\C=C/CCCCCCCCO,CCCCC\C=C/C\C=C/CCCCCCCCO,"InChI=1/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3",C18H34O,,,,,,JXNPEDYJTDQORS-HZJYTTRNSA-N,,,,,,,,,,,
100.006.817,207-497-5,475-63-8,"Dibenzo[a,o]perylene-7,16-dione","dibenzo[a,o]perylene-7,16-dione",O=C1c2ccccc2c3c4c5ccccc5C(=O)c6cccc(c7cccc1c37)c46,O=C1c2ccccc2c3c4c5ccccc5C(=O)c6cccc(c7cccc1c37)c46,InChI=1/C28H14O2/c29-27-19-9-3-1-7-17(19)25-23-15(11-5-13-21(23)27)16-12-6-14-22-24(16)26(25)18-8-2-4-10-20(18)28(22)30/h1-14H,C28H14O2,,,,,,CJADAVIATOALFB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.818,207-498-0,475-71-8,"Benzo[h]benz[5,6]acridino[2,1,9,8-klmna]acridine-8,16-dione","benzo[5,6]acridino[2,1,9,8-klmna]benzo[h]acridine-8,16-dione",O=C1c2ccccc2c3nc4ccc5C(=O)c6ccccc6c7nc8ccc1c3c8c4c57,O=C1c2ccccc2c3nc4ccc5C(=O)c6ccccc6c7nc8ccc1c3c8c4c57,InChI=1/C28H12N2O2/c31-27-15-7-3-1-5-13(15)25-21-17(27)9-12-20-23(21)24-19(29-25)11-10-18-22(24)26(30-20)14-6-2-4-8-16(14)28(18)32/h1-12H,C28H12N2O2,,,,,,UNZUOEVFZAPITC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.820,207-501-5,475-81-0,"(S)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline","1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline",COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,"InChI=1/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3",C21H25NO4,,,,,,RUZIUYOSRDWYQF-HNNXBMFYSA-N,,,,,,,,,,,
100.006.822,207-503-6,476-28-8,Lycorine,"2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol",O[C@@H]2[C@@H](O)\\C=C4\\CCN3Cc1cc5OCOc5cc1[C@H]2[C@H]34,O[C@@H]2[C@@H](O)\C=C4\CCN3Cc1cc5OCOc5cc1[C@H]2[C@H]34,"InChI=1/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2",C16H17NO4,,,,,,XGVJWXAYKUHDOO-DANNLKNASA-N,,,,,,,,,,,
100.006.825,207-506-2,476-56-2,"1,4,5-trihydroxy-2-methylanthraquinone","1,4,5-trihydroxy-2-methyl-9,10-anthraquinone",Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1O,Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1O,"InChI=1/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3",C15H10O5,,,,,,FHFHNVHRVKQQHN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.829,207-510-4,476-73-3,"Benzene-1,2,3,4-tetracarboxylic acid","benzene-1,2,3,4-tetracarboxylic acid",OC(=O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O,OC(=O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O,"InChI=1/C10H6O8/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",C10H6O8,,,,,,GCAIEATUVJFSMC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.622,208-382-2,525-79-1,Furfuryl(purin-6-yl)amine,N-(2-furylmethyl)-9H-purin-6-amine,C(Nc1ncnc2[nH]cnc12)c3occc3,C(Nc1ncnc2[nH]cnc12)c3occc3,"InChI=1/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)",C10H9N5O,,,,,,QANMHLXAZMSUEX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.624,208-384-3,526-08-9,Sulfaphenazole,4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3,Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3,"InChI=1/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2",C15H14N4O2S,,,,,,QWCJHSGMANYXCW-UHFFFAOYSA-N,Positive,mzcloud:1695,[M+H]+,HCD_Averaged,65.03858:68.04947:80.04947:92.04948:108.0444:131.06038:156.01138:158.07126:159.07908:160.08693:222.03317,HighChem,,,,,
100.007.625,208-385-9,526-18-1,Osalmid,2-hydroxy-N-(4-hydroxyphenyl)benzamide,Oc1ccc(NC(=O)c2ccccc2O)cc1,Oc1ccc(NC(=O)c2ccccc2O)cc1,"InChI=1/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)",C13H11NO3,,,,,,LGCMKPRGGJRYGM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.626,208-386-4,526-26-1,Strontium disalicylate,strontium bis(2-hydroxybenzoate),[Sr+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Sr+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.Sr/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C7H6O3.1/2Sr,,,,,,BJTJYQIAHXROJC-UHFFFAOYSA-L,,,,,,,,,,,
100.007.628,208-389-0,526-35-2,Allomethadione,"3-allyl-5-methyl-1,3-oxazolidine-2,4-dione",CC1OC(=O)N(CC=C)C1=O,CC1OC(=O)N(CC=C)C1=O,"InChI=1/C7H9NO3/c1-3-4-8-6(9)5(2)11-7(8)10/h3,5H,1,4H2,2H3",C7H9NO3,,,,,,XWZXRENCCHMZNF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.634,208-395-3,526-75-0,"2,3-xylenol","2,3-dimethylphenol",Cc1cccc(O)c1C,Cc1cccc(O)c1C,"InChI=1/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3",C8H10O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17493,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.634,QWBBPBRQALCEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.636,208-397-4,526-84-1,Dihydroxymaleic acid,"2,3-dihydroxybut-2-enedioic acid",OC(=O)\\C(=C(\\O)/C(=O)O)\\O,OC(=O)\C(=C(\O)/C(=O)O)\O,"InChI=1/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5-6H,(H,7,8)(H,9,10)",C4H4O6,,,,,,BZCOSCNPHJNQBP-UPHRSURJSA-N,,,,,,,,,,,
100.007.637,208-399-5,526-85-2,"2,3,4-trimethylphenol","2,3,4-trimethylphenol",Cc1ccc(O)c(C)c1C,Cc1ccc(O)c(C)c1C,"InChI=1/C9H12O/c1-6-4-5-9(10)8(3)7(6)2/h4-5,10H,1-3H3",C9H12O,,,,,,XRUGBBIQLIVCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.638,208-400-9,526-94-3,Sodium hydrogen tartrate,sodium hydrogen tartarate,[Na+].OC(C(O)C(=O)[O-])C(=O)[O-],[Na+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Na/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-2",C4H6O6.Na,,,,,,NKAAEMMYHLFEFN-UHFFFAOYSA-L,,,,,,,,,,,
100.007.639,208-401-4,526-95-4,D-gluconic acid,D-gluconic acid,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)",C6H12O7,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1957,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.639,RGHNJXZEOKUKBD-SQOUGZDYSA-N,,,,,,,,,,,
100.006.819,207-499-6,475-80-9,"6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid","6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid",OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+](=O)[O-],OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+](=O)[O-],"InChI=1/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)",C16H9NO6,,,,,,MEEXETVZNQYRSP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.821,207-502-0,475-91-2,"4,11-dimethoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10(5H)-one","4,11-dimethoxy-5-methyl[1,3]dioxolo[4,5-b]acridin-10(5H)-one",COc1c2OCOc2c(OC)c3C(=O)c4ccccc4N(C)c13,COc1c2OCOc2c(OC)c3C(=O)c4ccccc4N(C)c13,"InChI=1/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15(21-3)17-16(14(11)20-2)22-8-23-17/h4-7H,8H2,1-3H3",C17H15NO5,,,,,,TZZNUDMEMFBPQI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.823,207-504-1,476-32-4,Chelidonine,chelidonine,CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@@H]14,CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@@H]14,"InChI=1/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3",C20H19NO5,,,,,,GHKISGDRQRSCII-ZOCIIQOWSA-N,,,,,,,,,,,
100.007.617,208-377-5,525-64-4,"Fluorene-2,7-diyldiamine","9H-fluorene-2,7-diamine",Nc1ccc2c(Cc3cc(N)ccc23)c1,Nc1ccc2c(Cc3cc(N)ccc23)c1,"InChI=1/C13H12N2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,14-15H2",C13H12N2,,,,,,SNCJAJRILVFXAE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.618,208-378-0,525-66-6,Propranolol,1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol,CC(C)NCC(O)COc1cccc2ccccc12,CC(C)NCC(O)COc1cccc2ccccc12,"InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",C16H21NO2,,,,,,AQHHHDLHHXJYJD-UHFFFAOYSA-N,Positive,AU110801;SM855601;EA017101|EA017102|EA017103|EA017104|EA017105|EA017106|EA017107|EA017108|EA017109|EA017110|EA017111|EA017112|EA017113|EA017114,[M+H]+;[M+H]+;[M+H]+,CID20.2-30.2;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,260.1659:74.0597:72.0803;260.1645:116.107:183.0805;183.0805:116.107:157.0647|260.1646:116.1068|260.1647:116.1069:183.0803|116.1069:183.0803:260.1645|155.0855:116.1069:74.0601|155.0855:74.06:129.0698|155.0603:129.0698:74.0601|260.1646:116.1068|260.1647:116.107:183.0804|116.1069:183.0803:260.1639|155.0854:74.06:116.1069|155.0854:74.06:129.0697|129.0698:155.0602:56.0494|183.0804:116.107:157.0648,Athens_Univ;CASMI_2016;Eawag,,,,,
100.007.623,208-383-8,525-82-6,Flavone,2-phenyl-4H-chromen-4-one,O=C1C=C(Oc2ccccc12)c3ccccc3,O=C1C=C(Oc2ccccc12)c3ccccc3,InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,C15H10O2,,,,,,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,Positive,SM808902,[M+H]+,HCD35,223.0751:121.0283:178.0775,CASMI_2016,,,,,
100.007.632,208-393-2,526-55-6,ß-indol-3-ylethanol,2-(1H-indol-3-yl)ethanol,OCCc1c[nH]c2ccccc12,OCCc1c[nH]c2ccccc12,"InChI=1/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",C10H11NO,,,,,,MBBOMCVGYCRMEA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.633,208-394-8,526-73-8,"1,2,3-trimethylbenzene","1,2,3-trimethylbenzene",Cc1cccc(C)c1C,Cc1cccc(C)c1C,"InChI=1/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3",C9H12,,,,,,FYGHSUNMUKGBRK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.641,208-404-0,526-99-8,Galactaric acid,D-galactaric acid,O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O,O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O,"InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)",C6H10O8,,,,,,DSLZVSRJTYRBFB-DUHBMQHGSA-N,,,,,,,,,,,
100.007.649,208-412-4,527-31-1,Cyclohexanehexaone,"cyclohexane-1,2,3,4,5,6-hexone",O=C1C(=O)C(=O)C(=O)C(=O)C1=O,O=C1C(=O)C(=O)C(=O)C(=O)C1=O,InChI=1/C6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6O6,,,,,,PKRGYJHUXHCUCN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.654,208-418-7,527-54-8,"3,4,5-trimethylphenol","3,4,5-trimethylphenol",Cc1cc(O)cc(C)c1C,Cc1cc(O)cc(C)c1C,"InChI=1/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3",C9H12O,,,,,,FDQQNNZKEJIHMS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.657,208-421-3,527-62-8,"2-amino-4,6-dichlorophenol","2-amino-4,6-dichlorophenol",Nc1cc(Cl)cc(Cl)c1O,Nc1cc(Cl)cc(Cl)c1O,"InChI=1/C6H5Cl2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2",C6H5Cl2NO,,,,,,WASQBNCGNUTVNI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.668,208-433-9,528-45-0,"3,4-dinitrobenzoic acid","3,4-dinitrobenzoic acid",OC(=O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)",C7H4N2O6,,,,,,OMVRRHJJQILIJX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.005,207-704-9,490-03-9,2-hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one,2-hydroxy-6-isopropyl-3-methylcyclohex-2-en-1-one,CC(C)C1CCC(=C(O)C1=O)C,CC(C)C1CCC(=C(O)C1=O)C,"InChI=1/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3",C10H16O2,,,,,,QSIMLPCPCXVYDD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.018,207-719-0,490-82-4,3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-one,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2(3H)-one",CC1=C(CCO)SC(=O)N1Cc2cnc(C)nc2N,CC1=C(CCO)SC(=O)N1Cc2cnc(C)nc2N,"InChI=1/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)",C12H16N4O2S,,,,,,VXCONGLPCAPYEU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.020,207-721-1,490-91-5,2-isopropyl-5-methyl-p-benzoquinone,"2-isopropyl-5-methyl-1,4-benzoquinone",CC(C)C1=CC(=O)C(=CC1=O)C,CC(C)C1=CC(=O)C(=CC1=O)C,"InChI=1/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3",C10H12O2,,,,,,KEQHJBNSCLWCAE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.023,207-724-8,491-02-1,Neoisomenthol,2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.309,208-039-7,506-44-5,"(9Z,12Z,15Z)-9,12,15-octadecatrien-1-ol","octadeca-9,12,15-trien-1-ol",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCCO,CC\C=C/C\C=C/C\C=C/CCCCCCCCO,"InChI=1/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3",C18H32O,,,,,,IKYKEVDKGZYRMQ-PDBXOOCHSA-N,,,,,,,,,,,
100.007.310,208-040-2,506-46-7,Hexacosanoic acid,hexacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",C26H52O2,,,,,,XMHIUKTWLZUKEX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.313,208-043-9,506-51-4,Tetracosanol,tetracosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3",C24H50O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2111,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.313,TYWMIZZBOVGFOV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.111,210-021-9,602-60-8,9-nitroanthracene,9-nitroanthracene,[O-][N+](=O)c1c2ccccc2cc3ccccc13,[O-][N+](=O)c1c2ccccc2cc3ccccc13,InChI=1/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,C14H9NO2,,,,,,LSIKFJXEYJIZNB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.114,210-025-0,602-87-9,"1,2-dihydro-5-nitroacenaphthylene","5-nitro-1,2-dihydroacenaphthylene",[O-][N+](=O)c1ccc2CCc3cccc1c23,[O-][N+](=O)c1ccc2CCc3cccc1c23,"InChI=1/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2",C12H9NO2,,,,,,CUARLQDWYSRQDF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.115,210-026-6,602-94-8,Pentafluorobenzoic acid,pentafluorobenzoic acid,OC(=O)c1c(F)c(F)c(F)c(F)c1F,OC(=O)c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)",C7HF5O2,,,,,,YZERDTREOUSUHF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.116,210-027-1,602-99-3,"2,4,6-trinitro-m-cresol","3-methyl-2,4,6-trinitrophenol",Cc1c(cc(c(O)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Cc1c(cc(c(O)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H5N3O7/c1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h2,11H,1H3",C7H5N3O7,,,,,,YYGJRRYSYLLCQH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.117,210-028-7,603-00-9,Proxyphylline,"7-(2-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,"InChI=1/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3",C10H14N4O3,,,,,,KYHQZNGJUGFTGR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.125,208-936-3,547-77-3,"3a,17,21-trihydroxy-5a-pregnane-11,20-dione","3,17,21-trihydroxypregnane-11,20-dione",C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23,"InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3",C21H32O5,,,,,,SYGWGHVTLUBCEM-TUJFWAKLSA-N,,,,,,,,,,,
100.008.130,208-942-6,548-10-7,6-oxochelidonine,6-oxochelidonine,CN1[C@H]2[C@H]([C@@H](O)Cc3cc4OCOc4cc23)c5ccc6OCOc6c5C1=O,CN1[C@H]2[C@H]([C@@H](O)Cc3cc4OCOc4cc23)c5ccc6OCOc6c5C1=O,"InChI=1/C20H17NO6/c1-21-18-11-6-15-14(25-7-26-15)5-9(11)4-12(22)16(18)10-2-3-13-19(27-8-24-13)17(10)20(21)23/h2-3,5-6,12,16,18,22H,4,7-8H2,1H3",C20H17NO6,,,,,,UPVAYLMWVRMHNE-ULFGMLNVSA-N,,,,,,,,,,,
100.008.131,208-943-1,548-24-3,"2-(4,5-dibromo-3,6-dihydroxy-2,7-dinitroxanthen-9-yl)-benzoic acid, disodium salt","disodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate",[Na]OC(=O)c1ccccc1C2=C3C=C(C(=O)C(=C3Oc4c(Br)c(O[Na])c(cc24)N(=O)=O)Br)N(=O)=O,[Na]OC(=O)c1ccccc1C2=C3C=C(C(=O)C(=C3Oc4c(Br)c(O[Na])c(cc24)N(=O)=O)Br)N(=O)=O,"InChI=1/C20H8Br2N2O9.2Na/c21-14-16(25)11(23(29)30)5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(24(31)32)17(26)15(22)19(10)33-18(9)14;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",C20H8Br2N2O9.2Na,,,,,,GYYTYUGGVBYJHE-UHFFFAOYSA-L,,,,,,,,,,,
100.008.132,208-944-7,548-35-6,"10,15-dihydro-5H-tribenzo[a,f,k]triindene","10,15-dihydro-5H-diindeno[1,2-a:1',2'-c]fluorene",C1c2ccccc2c3c4Cc5ccccc5c4c6Cc7ccccc7c6c13,C1c2ccccc2c3c4Cc5ccccc5c4c6Cc7ccccc7c6c13,"InChI=1/C27H18/c1-4-10-19-16(7-1)13-22-25(19)23-14-17-8-3-6-12-21(17)27(23)24-15-18-9-2-5-11-20(18)26(22)24/h1-12H,13-15H2",C27H18,,,,,,YGPLLMPPZRUGTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.143,208-956-2,548-71-0,"3-(6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-ylmethylene)-6,7-dimethoxyisoindolin-1-one hydrochloride","3-({6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl}methylene)-6,7-dimethoxyisoindolin-1-one hydrochloride",Cl.COc1ccc4c(c1OC)C(=O)NC4=Cc2cc3OCOc3cc2CCN(C)C,Cl.COc1ccc4c(c1OC)C(=O)NC4=Cc2cc3OCOc3cc2CCN(C)C,"InChI=1/C22H24N2O5.ClH/c1-24(2)8-7-13-10-18-19(29-12-28-18)11-14(13)9-16-15-5-6-17(26-3)21(27-4)20(15)22(25)23-16;/h5-6,9-11H,7-8,12H2,1-4H3,(H,23,25);1H",C22H24N2O5.ClH,,,,,,UGUBGMSQMCPJQE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.144,208-957-8,548-73-2,Droperidol,"1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one",Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)N3C(=O)Nc4ccccc34,Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)N3C(=O)Nc4ccccc34,"InChI=1/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)",C22H22FN3O2,,,,,,RMEDXOLNCUSCGS-UHFFFAOYSA-N,Positive,AU120701|AU120702|AU120703|AU120704|AU120705;EQ367901|EQ367902|EQ367903|EQ367904|EQ367905|EQ367906|EQ367907|EQ367908|EQ367909,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,380.1796:194.0984:381.1827|194.0987:165.0714:195.1012|165.0721:194.099:123.0245|165.0722:123.025:166.075|123.0254:165.0723:166.0759;380.1767:194.0975:165.0708|194.0976:165.071:123.0237|165.071:123.024:194.0977|123.024:165.071:187.0866|123.024:165.0711:113.0397|123.0241:123.035:113.0397|123.0352:123.0242:113.0397|123.0353:75.0229:113.0397|75.0229:74.0151:123.0353,Athens_Univ;Eawag,,,,,
100.007.642,208-405-6,527-04-8,Diammonium meso-galactarate,hexaric acid,OC(C(O)C(O)C(=O)O)C(O)C(=O)O,OC(C(O)C(O)C(=O)O)C(O)C(=O)O,"InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)",C6H10O8.2H3N,,,,,,DSLZVSRJTYRBFB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.643,208-406-1,527-06-0,D-glycero-D-galacto-heptitol,D-glycero-D-galacto-heptitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,"InChI=1/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2",C7H16O7,,,,,,OXQKEKGBFMQTML-BIVRFLNRSA-N,,,,,,,,,,,
100.007.644,208-407-7,527-07-1,Sodium gluconate,"sodium 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1",C6H12O7.Na,,,,,,UPMFZISCCZSDND-JJKGCWMISA-M,,,,,,,,,,,
100.007.647,208-410-3,527-20-8,Pentachloroaniline,pentachloroaniline,Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2,C6H2Cl5N,,,,,,KHCZSJXTDDHLGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.652,208-416-6,527-52-6,"2,6-dideoxy-D-altrose","2,6-dideoxy-D-arabino-hexose",O[C@H](C)[C@@H](O)[C@H](O)CC=O,O[C@H](C)[C@@H](O)[C@H](O)CC=O,"InChI=1/C6H12O4/c1-4(8)6(10)5(9)2-3-7/h3-6,8-10H,2H2,1H3",C6H12O4,,,,,,JWFRNGYBHLBCMB-HSUXUTPPSA-N,,,,,,,,,,,
100.007.664,208-429-7,528-16-5,D-glucopyranuronic acid,D-glucopyranuronic acid,OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O,OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O,"InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)",C6H10O7,,,,,,AEMOLEFTQBMNLQ-AQKNRBDQSA-N,,,,,,,,,,,
100.007.665,208-430-2,528-21-2,"2',3',4'-trihydroxyacetophenone","1-(2,3,4-trihydroxyphenyl)ethanone",CC(=O)c1ccc(O)c(O)c1O,CC(=O)c1ccc(O)c(O)c1O,"InChI=1/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3",C8H8O4,,,,,,XIROXSOOOAZHLL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.666,208-431-8,528-29-0,"1,2-dinitrobenzene","1,2-dinitrobenzene",[O-][N+](=O)c1ccccc1[N+](=O)[O-],[O-][N+](=O)c1ccccc1[N+](=O)[O-],InChI=1/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,C6H4N2O4,,,,,,IZUKQUVSCNEFMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.999,207-698-8,489-50-9,"[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] hydrogen fumarate","9-{[(3-carboxyacryloyl)oxy]methyl}-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid",Cc1cc(O)c(C=O)c2Oc3c(C)c(C(=O)O)c(O)c(COC(=O)\\C=C\\C(=O)O)c3OC(=O)c12,Cc1cc(O)c(C=O)c2Oc3c(C)c(C(=O)O)c(O)c(COC(=O)\C=C\C(=O)O)c3OC(=O)c12,"InChI=1/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)",C22H16O12,,,,,,VEGGRTFDFMUBPD-ONEGZZNKSA-N,,,,,,,,,,,
100.007.008,207-708-0,490-23-3,"3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyl-trideca-3,7,11-trienyl)-2H-1-benzopyran-6-ol","2,5,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol",C/C(C)=C\\CCC(C)=CCCC(C)=CCCC1(C)CCc2c(O1)c(C)cc(O)c2C,C/C(C)=C\CCC(C)=CCCC(C)=CCCC1(C)CCc2c(O1)c(C)cc(O)c2C,"InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3",C28H42O2,,,,,,FGYKUFVNYVMTAM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.012,207-712-2,490-54-0,"(Z)-2-[(3,4-dihydroxyphenyl)methylene]-6-(ß-D-glucopyranosyloxy)-7-hydroxybenzofuran-3(2H)-one","2-(3,4-dihydroxybenzylidene)-7-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2ccc3C(=O)\\C(=C\\c4ccc(O)c(O)c4)\\Oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc3C(=O)\C(=C\c4ccc(O)c(O)c4)\Oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H20O11/c22-7-14-16(26)18(28)19(29)21(32-14)31-12-4-2-9-15(25)13(30-20(9)17(12)27)6-8-1-3-10(23)11(24)5-8/h1-6,14,16,18-19,21-24,26-29H,7H2",C21H20O11,,,,,,SYRURBPRFQUYQS-RHEJLWEFSA-N,,,,,,,,,,,
100.007.013,207-713-8,490-55-1,Amiphenazole,"5-phenyl-1,3-thiazole-2,4-diamine",Nc1nc(N)c(s1)c2ccccc2,Nc1nc(N)c(s1)c2ccccc2,"InChI=1/C9H9N3S/c10-8-7(13-9(11)12-8)6-4-2-1-3-5-6/h1-5H,10H2,(H2,11,12)",C9H9N3S,,,,,,UPOYFZYFGWBUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.022,207-723-2,491-01-0,Neomenthol,2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.024,207-725-3,491-04-3,6-(isopropyl)-3-methylcyclohex-2-en-1-ol,6-isopropyl-3-methylcyclohex-2-en-1-ol,CC(C)C1CCC(=CC1O)C,CC(C)C1CCC(=CC1O)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3",C10H18O,,,,,,HPOHAUWWDDPHRS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.027,207-729-5,491-09-8,3-methyl-6-(1-methylethylidene)cyclohex-2-en-1-one,6-isopropylidene-3-methylcyclohex-2-en-1-one,CC(=C1CCC(=CC1=O)C)C,CC(=C1CCC(=CC1=O)C)C,"InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3",C10H14O,,,,,,HKZQJZIFODOLFR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.032,207-734-2,491-35-0,4-methylquinoline,4-methylquinoline,Cc1ccnc2ccccc12,Cc1ccnc2ccccc12,"InChI=1/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3",C10H9N,,,,,,MUDSDYNRBDKLGK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.223,213-445-2,949-90-6,Benzyl carbamoylmethylcarbamate,2-{[(benzyloxy)(hydroxy)methylene]amino}ethanimidic acid,N=C(O)C\\N=C(/O)OCc1ccccc1,N=C(O)C\N=C(/O)OCc1ccccc1,"InChI=1/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)",C10H12N2O3,,,,,,HQYMUNCIMNFLDT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.228,213-451-5,950-59-4,"2,6-di-tert-butyl-4-mercaptophenol","2,6-di-tert-butyl-4-sulfanylphenol",CC(C)(C)c1cc(S)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(S)cc(c1O)C(C)(C)C,"InChI=1/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3",C14H22OS,,,,,,NFVMNXZFSKGLDR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.234,213-457-8,951-83-7,4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridylmethyl dihydrogen phosphate monohydrochloride,[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate hydrochloride,Cl.Oc1c(CN)c(cnc1C)COP(O)(=O)O,Cl.Oc1c(CN)c(cnc1C)COP(O)(=O)O,"InChI=1/C8H13N2O5P.ClH/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14;/h3,11H,2,4,9H2,1H3,(H2,12,13,14);1H",C8H13N2O5P.ClH,,,,,,ICDDSMNGKMVVCW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.236,213-459-9,952-23-8,Proflavine hydrochloride,"acridine-3,6-diamine hydrochloride",Cl.Nc1ccc2cc3ccc(N)cc3nc2c1,Cl.Nc1ccc2cc3ccc(N)cc3nc2c1,"InChI=1/C13H11N3.ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h1-7H,14-15H2;1H",C13H11N3.ClH,,,,,,PBBGTVBGXBUVLT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.238,213-462-5,952-97-6,4-nitrophenyl phenyl sulphide,1-nitro-4-(phenylsulfanyl)benzene,[O-][N+](=O)c1ccc(Sc2ccccc2)cc1,[O-][N+](=O)c1ccc(Sc2ccccc2)cc1,InChI=1/C12H9NO2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,C12H9NO2S,,,,,,RJCBYBQJVXVVKB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.242,213-466-7,953-78-6,"2-methyl-1,4-dioxaspiro[4.11]hexadecane","2-methyl-1,4-dioxaspiro[4.11]hexadecane",CC1COC2(CCCCCCCCCCC2)O1,CC1COC2(CCCCCCCCCCC2)O1,"InChI=1/C15H28O2/c1-14-13-16-15(17-14)11-9-7-5-3-2-4-6-8-10-12-15/h14H,2-13H2,1H3",C15H28O2,,,,,,HDCUPDJOTUNHOM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.244,213-468-8,953-91-3,Cyclohexyl p-toluenesulphonate,cyclohexyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OC2CCCCC2,Cc1ccc(cc1)S(=O)(=O)OC2CCCCC2,"InChI=1/C13H18O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3",C13H18O3S,,,,,,OHHPZPDQZMUTCA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.246,213-470-9,955-03-3,"2,6-di-tert-butyl-4-nitrosophenol","2,6-di-tert-butyl-4-nitrosophenol",CC(C)(C)c1cc(cc(c1O)C(C)(C)C)N=O,CC(C)(C)c1cc(cc(c1O)C(C)(C)C)N=O,"InChI=1/C14H21NO2/c1-13(2,3)10-7-9(15-17)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3",C14H21NO2,,,,,,JLOKPJOOVQELMO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.248,213-473-5,955-10-2,3-phenyl-2-benzopyrone,3-phenyl-2H-chromen-2-one,O=C1Oc2ccccc2C=C1c3ccccc3,O=C1Oc2ccccc2C=C1c3ccccc3,InChI=1/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H,C15H10O2,,,,,,HWDSXZLYIKESML-UHFFFAOYSA-N,,,,,,,,,,,
100.010.796,211-873-4,703-59-3,Benzoglutaric anhydride,"1H-isochromene-1,3(4H)-dione",O=C1Cc2ccccc2C(=O)O1,O=C1Cc2ccccc2C(=O)O1,"InChI=1/C9H6O3/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-4H,5H2",C9H6O3,,,,,,AKHSBAVQPIRVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.797,211-875-5,703-80-0,Indol-3-yl methyl ketone,1-(1H-indol-3-yl)ethanone,CC(=O)c1c[nH]c2ccccc12,CC(=O)c1c[nH]c2ccccc12,"InChI=1/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3",C10H9NO,,,,,,VUIMBZIZZFSQEE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.801,211-879-7,704-13-2,3-hydroxy-4-nitrobenzaldehyde,3-hydroxy-4-nitrobenzaldehyde,Oc1cc(C=O)ccc1[N+](=O)[O-],Oc1cc(C=O)ccc1[N+](=O)[O-],"InChI=1/C7H5NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H",C7H5NO4,,,,,,AUBBVPIQUDFRQI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.802,211-880-2,704-15-4,N-glycyl-L-proline,glycyl-L-proline,NCC(=O)N1CCC[C@H]1C(=O)O,NCC(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)",C7H12N2O3,,,,,,KZNQNBZMBZJQJO-YFKPBYRVSA-N,,,,,,,,,,,
100.010.809,211-888-6,705-76-0,"3,5-dimethoxybenzyl alcohol","(3,5-dimethoxyphenyl)methanol",COc1cc(CO)cc(OC)c1,COc1cc(CO)cc(OC)c1,"InChI=1/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3",C9H12O3,,,,,,AUDBREYGQOXIFT-UHFFFAOYSA-N,,,,,,,,,,,
100.010.810,211-889-1,705-86-2,Decan-5-olide,6-pentyltetrahydro-2H-pyran-2-one,CCCCCC1CCCC(=O)O1,CCCCCC1CCCC(=O)O1,"InChI=1/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3",C10H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10090,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.810,GHBSPIPJMLAMEP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.815,211-894-9,706-78-5,Octachlorocyclopentene,octachlorocyclopentene,ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl,ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl,"InChI=1/C5Cl8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9",C5Cl8,,,,,,DMZRCHJVWAKCAX-UHFFFAOYSA-N,,,,,,,,,,,
100.010.824,211-905-7,708-79-2,"7,9-dihydro-1-methyl-1H-purine-2,6,8(3H)-trione","1-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)NC2=C(NC(=O)N2)C1=O,CN1C(=O)NC2=C(NC(=O)N2)C1=O,"InChI=1/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)",C6H6N4O3,,,,,,QFDRTQONISXGJA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.827,211-908-3,709-49-9,"1-iodo-2,4-dinitrobenzene","1-iodo-2,4-dinitrobenzene",[O-][N+](=O)c1ccc(I)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(I)c(c1)[N+](=O)[O-],InChI=1/C6H3IN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,C6H3IN2O4,,,,,,FXMKXMJLXRTQSW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.025,207-726-9,491-05-4,3-methyl-6-(1-methylvinyl)cyclohex-2-en-1-ol,6-isopropenyl-3-methylcyclohex-2-en-1-ol,CC(=C)C1CCC(=CC1O)C,CC(=C)C1CCC(=CC1O)C,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9-11H,1,4-5H2,2-3H3",C10H16O,,,,,,OLAKPNFIICOONC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.030,207-732-1,491-30-5,1-hydroxyisoquinoline,isoquinolin-1-ol,Oc1nccc2ccccc12,Oc1nccc2ccccc12,"InChI=1/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)",C9H7NO,,,,,,VDBNYAPERZTOOF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.036,207-738-4,491-54-3,"3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone","3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one",COc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2,COc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2,"InChI=1/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3",C16H12O6,,,,,,SQFSKOYWJBQGKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.041,207-744-7,491-80-5,"5,7-dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one","5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one",COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,"InChI=1/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",C16H12O5,,,,,,WUADCCWRTIWANL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.530,209-382-5,575-37-1,"1,7-dimethylnaphthalene","1,7-dimethylnaphthalene",Cc1ccc2cccc(C)c2c1,Cc1ccc2cccc(C)c2c1,"InChI=1/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3",C12H12,,,,,,SPUWFVKLHHEKGV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.533,209-385-1,575-43-9,"1,6-dimethylnaphthalene","1,6-dimethylnaphthalene",Cc1ccc2c(C)cccc2c1,Cc1ccc2c(C)cccc2c1,"InChI=1/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3",C12H12,,,,,,CBMXCNPQDUJNHT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.542,209-395-6,575-90-6,"2,6-dichlorophenoxyacetic acid","(2,6-dichlorophenoxy)acetic acid",OC(=O)COc1c(Cl)cccc1Cl,OC(=O)COc1c(Cl)cccc1Cl,"InChI=1/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)",C8H6Cl2O3,,,,,,KHZWIIFEFQBNKL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.543,209-396-1,576-15-8,1-acetyl-1H-indole,1-acetyl-1H-indole,CC(=O)n1ccc2ccccc12,CC(=O)n1ccc2ccccc12,"InChI=1/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3",C10H9NO,,,,,,UUCUQJHYUPXDHN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.546,209-399-8,576-24-9,"2,3-dichlorophenol","2,3-dichlorophenol",Oc1cccc(Cl)c1Cl,Oc1cccc(Cl)c1Cl,"InChI=1/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H",C6H4Cl2O,,,,,,UMPSXRYVXUPCOS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.550,209-403-8,576-55-6,"3,4,5,6-tetrabromo-o-cresol","2,3,4,5-tetrabromo-6-methylphenol",Cc1c(O)c(Br)c(Br)c(Br)c1Br,Cc1c(O)c(Br)c(Br)c(Br)c1Br,"InChI=1/C7H4Br4O/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3",C7H4Br4O,,,,,,GGIDUULRWQOXLR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.556,209-410-6,577-33-3,"Anthracene-1,2,10-triol","anthracene-1,2,10-triol",Oc1ccc2c(O)c3ccccc3cc2c1O,Oc1ccc2c(O)c3ccccc3cc2c1O,"InChI=1/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H",C14H10O3,,,,,,TZIQWQARHPGHIG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.557,209-411-1,577-38-8,"(S)-2-(3,4-dihydroxyphenyl)-7-(ß-D-glucopyranosyloxy)-2,3-dihydro-8-hydroxy-4H-1-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2",C21H22O11,,,,,,DGGOLFCPSUVVHX-RTHJTPBESA-N,,,,,,,,,,,
100.008.559,209-413-2,577-56-0,2-acetylbenzoic acid,2-acetylbenzoic acid,CC(=O)c1ccccc1C(=O)O,CC(=O)c1ccccc1C(=O)O,"InChI=1/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)",C9H8O3,,,,,,QDAWXRKTSATEOP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.572,209-427-9,578-66-5,8-quinolylamine,quinolin-8-amine,Nc1cccc2cccnc12,Nc1cccc2cccnc12,"InChI=1/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2",C9H8N2,,,,,,WREVVZMUNPAPOV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.577,209-433-1,578-94-9,"10-chloro-5,10-dihydrophenarsazine","10-chloro-5,10-dihydrophenarsazine",Cl[As]1c2ccccc2Nc3ccccc13,Cl[As]1c2ccccc2Nc3ccccc13,"InChI=1/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H",C12H9AsClN,,,,,,PBNSPNYJYOYWTA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.837,207-519-3,477-75-8,"9,10-o-benzeno-9,10-dihydroanthracene","pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene (non-preferred name)",c1ccc2C3c4ccccc4C(c5ccccc35)c2c1,c1ccc2C3c4ccccc4C(c5ccccc35)c2c1,"InChI=1/C20H14/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)20(14)18-12-6-4-10-16(18)19/h1-12,19-20H",C20H14,,,,,,NGDCLPXRKSWRPY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.839,207-521-4,478-43-3,"9,10-dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid","4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,"InChI=1/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)",C15H8O6,,,,,,FCDLCPWAQCPTKC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.145,208-958-3,548-76-5,"5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone","5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-chromen-4-one",COc1cc(cc(O)c1OC)C2=COc3cc(O)c(OC)c(O)c3C2=O,COc1cc(cc(O)c1OC)C2=COc3cc(O)c(OC)c(O)c3C2=O,"InChI=1/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3",C18H16O8,,,,,,TUGWPJJTQNLKCL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.472,207-117-8,438-41-5,Chlordiazepoxide hydrochloride,"7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide hydrochloride",Cl.CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3,Cl.CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3,"InChI=1/C16H14ClN3O.ClH/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;/h2-9H,10H2,1H3,(H,18,19);1H",C16H14ClN3O.ClH,,,,,,DMLFJMQTNDSRFU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.478,207-124-6,440-29-9,4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide,4-{[2-chloro-5-(trifluoromethyl)phenyl]diazenyl}-3-hydroxy-N-phenyl-2-naphthamide,Clc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(F)(F)F,Clc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(F)(F)F,"InChI=1/C24H15ClF3N3O2/c25-19-11-10-15(24(26,27)28)13-20(19)30-31-21-17-9-5-4-6-14(17)12-18(22(21)32)23(33)29-16-7-2-1-3-8-16/h1-13,32H,(H,29,33)",C24H15ClF3N3O2,,,,,,TXHKQCHFWNHZGX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.479,207-125-1,440-58-4,Iodamide,"3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid",CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)",C12H11I3N2O4,,,,,,VVDGWALACJEJKG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.482,207-128-8,441-61-2,Ethylmethylthiambutene,"N-ethyl-N-methyl-4,4-di-2-thienylbut-3-en-2-amine",CCN(C)C(C)C=C(c1cccs1)c2cccs2,CCN(C)C(C)C=C(c1cccs1)c2cccs2,"InChI=1/C15H19NS2/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15/h5-12H,4H2,1-3H3",C15H19NS2,,,,,,MORSAEFGQPDBKM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.486,207-133-5,442-52-4,Clemizole,1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole,Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,"InChI=1/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2",C19H20ClN3,,,,,,CJXAEXPPLWQRFR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.489,207-136-1,443-48-1,Metronidazole,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol,Cc1ncc([N+](=O)[O-])n1CCO,Cc1ncc([N+](=O)[O-])n1CCO,"InChI=1/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3",C6H9N3O3,,,,,,VAOCPAMSLUNLGC-UHFFFAOYSA-N,Positive,mzcloud:1085,[M+H]+,HCD_Averaged,128.04545:56.03690:82.05255:98.04747:111.0427,HighChem,,,,,
100.006.501,207-149-2,445-01-2,"4-bromo-2-chloro-a,a,a-trifluorotoluene",4-bromo-2-chloro-1-(trifluoromethyl)benzene,FC(F)(F)c1ccc(Br)cc1Cl,FC(F)(F)c1ccc(Br)cc1Cl,"InChI=1/C7H3BrClF3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H",C7H3BrClF3,,,,,,FJANWAMBKVZTRG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.509,207-158-1,445-29-4,2-fluorobenzoic acid,2-fluorobenzoic acid,OC(=O)c1ccccc1F,OC(=O)c1ccccc1F,"InChI=1/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",C7H5FO2,,,,,,NSTREUWFTAOOKS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.510,207-159-7,446-08-2,5-fluoroanthranilic acid,2-amino-5-fluorobenzoic acid,Nc1ccc(F)cc1C(=O)O,Nc1ccc(F)cc1C(=O)O,"InChI=1/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)",C7H6FNO2,,,,,,FPQMGQZTBWIHDN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.511,207-160-2,446-09-3,1-bromo-4-fluoro-2-nitrobenzene,1-bromo-4-fluoro-2-nitrobenzene,[O-][N+](=O)c1cc(F)ccc1Br,[O-][N+](=O)c1cc(F)ccc1Br,InChI=1/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,C6H3BrFNO2,,,,,,XRXNWKIKQFEOGO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.518,207-168-6,446-36-6,5-fluoro-2-nitrophenol,5-fluoro-2-nitrophenol,Oc1cc(F)ccc1[N+](=O)[O-],Oc1cc(F)ccc1[N+](=O)[O-],"InChI=1/C6H4FNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H",C6H4FNO3,,,,,,QQURWFRNETXFTN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.902,210-892-5,625-38-7,But-3-enoic acid,but-3-enoic acid,OC(=O)CC=C,OC(=O)CC=C,"InChI=1/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)",C4H6O2,,,,,,PVEOYINWKBTPIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.904,210-894-6,625-45-6,Methoxyacetic acid,methoxyacetic acid,COCC(=O)O,COCC(=O)O,"InChI=1/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)",C3H6O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2127,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.904,RMIODHQZRUFFFF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.907,210-897-2,625-51-4,N-(hydroxymethyl)acetamide,N-(hydroxymethyl)acetamide,CC(=O)NCO,CC(=O)NCO,"InChI=1/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)",C3H7NO2,,,,,,HWJHZLJIIWOTGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.910,210-900-7,625-54-7,Ethyl isopropyl ether,2-ethoxypropane,CCOC(C)C,CCOC(C)C,"InChI=1/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3",C5H12O,,,,,,XSJVWZAETSBXKU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.912,210-902-8,625-56-9,Chloromethyl acetate,chloromethyl acetate,CC(=O)OCCl,CC(=O)OCCl,"InChI=1/C3H5ClO2/c1-3(5)6-2-4/h2H2,1H3",C3H5ClO2,,,,,,SMJYMSAPPGLBAR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.913,210-903-3,625-58-1,Ethyl nitrate,ethyl nitrate,CCO[N+](=O)[O-],CCO[N+](=O)[O-],"InChI=1/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3",C2H5NO3,,,,,,IDNUEBSJWINEMI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.035,207-737-9,491-38-3,4H-benzo[b]pyran-4-one,4H-chromen-4-one,O=C1C=COc2ccccc12,O=C1C=COc2ccccc12,InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,C9H6O2,,,,,,OTAFHZMPRISVEM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.038,207-741-0,491-70-3,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one",Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3,Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3,"InChI=1/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",C15H10O6,,,,,,IQPNAANSBPBGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.537,209-389-3,575-67-7,5'-fluoro-2'-hydroxybutyrophenone,1-(5-fluoro-2-hydroxyphenyl)butan-1-one,CCCC(=O)c1cc(F)ccc1O,CCCC(=O)c1cc(F)ccc1O,"InChI=1/C10H11FO2/c1-2-3-9(12)8-6-7(11)4-5-10(8)13/h4-6,13H,2-3H2,1H3",C10H11FO2,,,,,,CZDPWPGEGYTPRW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.539,209-391-4,575-75-7,Sodium [4-(dimethylamino)-2-methylphenyl]phosphinate,sodium [4-(dimethylamino)-2-methylphenyl]phosphinate,[Na+].CN(C)c1ccc(c(C)c1)P(=O)[O-],[Na+].CN(C)c1ccc(c(C)c1)P(=O)[O-],"InChI=1/C9H14NO2P.Na/c1-7-6-8(10(2)3)4-5-9(7)13(11)12;/h4-6,13H,1-3H3,(H,11,12);/q;+1/p-1",C9H14NO2P.Na,,,,,,GTDKCTURAUQAGE-UHFFFAOYSA-M,,,,,,,,,,,
100.008.545,209-398-2,576-23-8,3-bromo-o-xylene,"1-bromo-2,3-dimethylbenzene",Cc1cccc(Br)c1C,Cc1cccc(Br)c1C,"InChI=1/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3",C8H9Br,,,,,,WLPXNBYWDDYJTN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.547,209-400-1,576-26-1,"2,6-xylenol","2,6-dimethylphenol",Cc1cccc(C)c1O,Cc1cccc(C)c1O,"InChI=1/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",C8H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13315,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.547,NXXYKOUNUYWIHA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.549,209-402-2,576-42-1,Potassium hydrogen saccharate,"potassium hydrogen 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[K+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[K+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/C6H10O8.K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+1/p-2",C6H10O8.K,,,,,,UBYZGUWQNIEQMH-SBBOJQDXSA-L,,,,,,,,,,,
100.008.551,209-404-3,576-68-1,Mannomustine,"1,6-bis[(2-chloroethyl)amino]-1,6-dideoxy-D-mannitol",O[C@H](CNCCCl)[C@@H](O)[C@H](O)[C@H](O)CNCCCl,O[C@H](CNCCCl)[C@@H](O)[C@H](O)[C@H](O)CNCCCl,"InChI=1/C10H22Cl2N2O4/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12/h7-10,13-18H,1-6H2",C10H22Cl2N2O4,,,,,,MQXVYODZCMMZEM-ZYUZMQFOSA-N,,,,,,,,,,,
100.008.552,209-405-9,576-83-0,2-bromomesitylene,"2-bromo-1,3,5-trimethylbenzene",Cc1cc(C)c(Br)c(C)c1,Cc1cc(C)c(Br)c(C)c1,"InChI=1/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3",C9H11Br,,,,,,RRTLQRYOJOSPEA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.554,209-408-5,577-16-2,2-methylacetophenone,1-(2-methylphenyl)ethanone,CC(=O)c1ccccc1C,CC(=O)c1ccccc1C,"InChI=1/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3",C9H10O,,,,,,YXWWHNCQZBVZPV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.564,209-419-5,577-92-4,"5-(1,1-dimethylethyl)[1,1'-biphenyl]-2-ol",5-tert-butylbiphenyl-2-ol,CC(C)(C)c1ccc(O)c(c1)c2ccccc2,CC(C)(C)c1ccc(O)c(c1)c2ccccc2,"InChI=1/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3",C16H18O,,,,,,IYPYKRAEQZVXSC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.565,209-420-0,578-19-8,"O,O-succinyldi(salicylic acid)","2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]dibenzoic acid",O=C(Oc1ccccc1C(O)=O)CCC(=O)Oc2ccccc2C(O)=O,O=C(Oc1ccccc1C(O)=O)CCC(=O)Oc2ccccc2C(O)=O,"InChI=1/C18H14O8/c19-15(25-13-7-3-1-5-11(13)17(21)22)9-10-16(20)26-14-8-4-2-6-12(14)18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)",C18H14O8,,,,,,PREOBXYMXLETCA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.567,209-422-1,578-39-2,4-hydroxy-o-toluic acid,4-hydroxy-2-methylbenzoic acid,Cc1cc(O)ccc1C(=O)O,Cc1cc(O)ccc1C(=O)O,"InChI=1/C8H8O3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)",C8H8O3,,,,,,BBMFSGOFUHEVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.569,209-424-2,578-54-1,2-ethylaniline,2-ethylaniline,CCc1ccccc1N,CCc1ccccc1N,"InChI=1/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3",C8H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17856,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.569,MLPVBIWIRCKMJV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.578,209-434-7,578-95-0,9-acridone,acridin-9(10H)-one,O=C1c2ccccc2Nc3ccccc13,O=C1c2ccccc2Nc3ccccc13,"InChI=1/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)",C13H9NO,,,,,,FZEYVTFCMJSGMP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.582,209-438-9,579-23-7,Cyclovalone,"2,6-bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone",Oc1ccc(cc1OC)C=C3CCCC(=Cc2cc(OC)c(O)cc2)C3=O,Oc1ccc(cc1OC)C=C3CCCC(=Cc2cc(OC)c(O)cc2)C3=O,"InChI=1/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3",C22H22O5,,,,,,DHKKONBXGAAFTB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.583,209-439-4,579-38-4,Diloxanide,"2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide",CN(C(=O)C(Cl)Cl)c1ccc(O)cc1,CN(C(=O)C(Cl)Cl)c1ccc(O)cc1,"InChI=1/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3",C9H9Cl2NO2,,,,,,GZZZSOOGQLOEOB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.828,211-909-9,709-50-2,Methyl ß-D-glucoside,methyl hexopyranoside,COC1OC(CO)C(O)C(O)C1O,COC1OC(CO)C(O)C(O)C1O,"InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",C7H14O6,,,,,,HOVAGTYPODGVJG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.829,211-910-4,709-55-7,Etilefrine,3-[2-(ethylamino)-1-hydroxyethyl]phenol,CCNCC(O)c1cccc(O)c1,CCNCC(O)c1cccc(O)c1,"InChI=1/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3",C10H15NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7330,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.829,SQVIAVUSQAWMKL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.518,212-669-8,842-15-9,"Potassium hydrogen 7-aminonaphthalene-1,3-disulphonate","potassium hydrogen 7-aminonaphthalene-1,3-disulfonate",[K+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2",C10H9NO6S2.K,,,,,,GOPRYBNRWIBTIH-UHFFFAOYSA-L,,,,,,,,,,,
100.011.519,212-670-3,842-16-0,"Sodium hydrogen 7-aminonaphthalene-1,3-disulphonate","sodium hydrogen 7-aminonaphthalene-1,3-disulfonate",[Na+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2",C10H9NO6S2.Na,,,,,,WXLAGQSCYQGDAR-UHFFFAOYSA-L,,,,,,,,,,,
100.011.526,212-678-7,844-24-6,"(4-chlorophenyl)[2-chloro-4-(hydroxyimino)-5-methylcyclohexa-2,5-dien-1-ylidene]acetonitrile","[2-chloro-4-(hydroxyimino)-5-methylcyclohexa-2,5-dien-1-ylidene](4-chlorophenyl)acetonitrile",ON=C1\\C=C(\\Cl)C(\\C=C1\\C)=C(C#N)c2ccc(Cl)cc2,ON=C1\C=C(\Cl)C(\C=C1\C)=C(C#N)c2ccc(Cl)cc2,"InChI=1/C15H10Cl2N2O/c1-9-6-12(14(17)7-15(9)19-20)13(8-18)10-2-4-11(16)5-3-10/h2-7,20H,1H3",C15H10Cl2N2O,,,,,,BYRQMRDYXFADRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.531,212-683-4,845-72-7,"5,6,7,8-tetradehydro-3-methoxy-17-methylmorphinan-4-ol","3-methoxy-17-methyl-5,6,7,8-tetradehydromorphinan-4-ol",COc1ccc2C[C@@H]3[C@@H]4C=CC=C[C@]4(CCN3C)c2c1O,COc1ccc2C[C@@H]3[C@@H]4C=CC=C[C@]4(CCN3C)c2c1O,"InChI=1/C18H21NO2/c1-19-10-9-18-8-4-3-5-13(18)14(19)11-12-6-7-15(21-2)17(20)16(12)18/h3-8,13-14,20H,9-11H2,1-2H3",C18H21NO2,,,,,,OUBYDCHQEFHDQQ-PMUMKWKESA-N,,,,,,,,,,,
100.011.541,212-694-4,847-84-7,"Dimethyl(4-oxo-3,3-diphenylhexyl)ammonium chloride","N,N-dimethyl-4-oxo-3,3-diphenylhexan-1-aminium chloride",[Cl-].CCC(=O)C(CC[NH+](C)C)(c1ccccc1)c2ccccc2,[Cl-].CCC(=O)C(CC[NH+](C)C)(c1ccccc1)c2ccccc2,"InChI=1/C20H25NO.ClH/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3;1H",C20H25NO.ClH,,,,,,GYWUCVKLUKFJLC-UHFFFAOYSA-N,,,,,,,,,,,
100.011.543,212-697-0,848-07-7,"(±)-13-ethyl-3-methoxygona-1,3,5(10),8,14-pentaen-17-one","13-ethyl-3-methoxy-6,7,11,12,13,16-hexahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)",CCC12CCC3=C(CCc4cc(OC)ccc34)C1=CCC2=O,CCC12CCC3=C(CCc4cc(OC)ccc34)C1=CCC2=O,"InChI=1/C20H22O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7-8,12H,3-4,6,9-11H2,1-2H3",C20H22O2,,,,,,ZKFDNQOPOKFLFH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.546,212-700-5,848-75-9,Lormetazepam,"7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)C(O)N=C(c2ccccc2Cl)c3cc(Cl)ccc13,CN1C(=O)C(O)N=C(c2ccccc2Cl)c3cc(Cl)ccc13,"InChI=1/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3",C16H12Cl2N2O2,,,,,,FJIKWRGCXUCUIG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.547,212-701-0,849-55-8,Buphenine hydrochloride,4-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]propyl}phenol hydrochloride,Cl.CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2,Cl.CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2,"InChI=1/C19H25NO2.ClH/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;/h3-7,10-15,19-22H,8-9H2,1-2H3;1H",C19H25NO2.ClH,,,,,,CLJHABUMMDMAFA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.548,212-702-6,849-99-0,Dicyclohexyl adipate,dicyclohexyl adipate,O=C(CCCCC(=O)OC1CCCCC1)OC2CCCCC2,O=C(CCCCC(=O)OC1CCCCC1)OC2CCCCC2,"InChI=1/C18H30O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h15-16H,1-14H2",C18H30O4,,,,,,UTGUHFOMNVLJSL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.554,212-708-9,852-20-0,"2,2'-thiobis[4-chloro-6-nitrophenol]","2,2'-sulfanediylbis(4-chloro-6-nitrophenol)",Oc1c(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-],Oc1c(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-],"InChI=1/C12H6Cl2N2O6S/c13-5-1-7(15(19)20)11(17)9(3-5)23-10-4-6(14)2-8(12(10)18)16(21)22/h1-4,17-18H",C12H6Cl2N2O6S,,,,,,ZAOJWJAARUYTMA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.556,212-711-5,852-37-9,2-(biphenyl-4-yl)-5-phenyloxazole,"2-biphenyl-4-yl-5-phenyl-1,3-oxazole",o1c(cnc1c2ccc(cc2)c3ccccc3)c4ccccc4,o1c(cnc1c2ccc(cc2)c3ccccc3)c4ccccc4,InChI=1/C21H15NO/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-22-15-20(23-21)18-9-5-2-6-10-18/h1-15H,C21H15NO,,,,,,RQGVWYIZAUHBBE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.557,212-712-0,852-38-0,"2-biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole","2-biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole",o1c(nnc1c2ccc(cc2)c3ccccc3)c4ccccc4,o1c(nnc1c2ccc(cc2)c3ccccc3)c4ccccc4,InChI=1/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H,C20H14N2O,,,,,,WMAXWOOEPJQXEB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.844,207-527-7,479-20-9,"3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-formyl-2,4-dihydroxy-6-methylbenzoate","3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-formyl-2,4-dihydroxy-6-methylbenzoate",COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O,"InChI=1/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3",C19H18O8,,,,,,YLOYKYXNDHOHHT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.851,207-535-0,479-59-4,"2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine","2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline",C1CN2CCCc3cccc(C1)c23,C1CN2CCCc3cccc(C1)c23,"InChI=1/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2",C12H15N,,,,,,DZFWNZJKBJOGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.854,207-538-7,479-81-2,Bietamiverin,2-(diethylamino)ethyl phenyl(piperidin-1-yl)acetate,CCN(CC)CCOC(=O)C(N1CCCCC1)c2ccccc2,CCN(CC)CCOC(=O)C(N1CCCCC1)c2ccccc2,"InChI=1/C19H30N2O2/c1-3-20(4-2)15-16-23-19(22)18(17-11-7-5-8-12-17)21-13-9-6-10-14-21/h5,7-8,11-12,18H,3-4,6,9-10,13-16H2,1-2H3",C19H30N2O2,,,,,,JGTJANXYSNVLMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.855,207-539-2,479-92-5,Propyphenazone,"4-isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2,CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3",C14H18N2O,,,,,,PXWLVJLKJGVOKE-UHFFFAOYSA-N,Positive,SM855001;UF407101|UF407102|UF407103|UF407104,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,231.1493:189.1023:56.0497;231.1495:189.1025:201.1026|189.1024:201.1025:118.0652|231.1495:189.1025:216.126|189.1024:216.1259:201.1025,CASMI_2016;UFZ,,,,,
100.006.859,207-543-4,480-18-2,"(2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one",O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,"InChI=1/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",C15H12O7,,,,,,CXQWRCVTCMQVQX-CABCVRRESA-N,,,,,,,,,,,
100.006.866,207-551-8,480-43-3,"(S)-2,3-dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone","5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one",COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2,COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2,"InChI=1/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3",C16H14O5,,,,,,HMUJXQRRKBLVOO-AWEZNQCLSA-N,,,,,,,,,,,
100.007.673,208-439-1,528-66-5,2-[N-(o-methylphenyl)carbamoyl]-3-naphthyl acetate,3-[(2-methylphenyl)carbamoyl]-2-naphthyl acetate,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3C,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3C,"InChI=1/C20H17NO3/c1-13-7-3-6-10-18(13)21-20(23)17-11-15-8-4-5-9-16(15)12-19(17)24-14(2)22/h3-12H,1-2H3,(H,21,23)",C20H17NO3,,,,,,PMRFWCJXRSRVPS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.674,208-440-7,528-75-6,"2,4-dinitrobenzaldehyde","2,4-dinitrobenzaldehyde",[O-][N+](=O)c1ccc(C=O)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(C=O)c(c1)[N+](=O)[O-],InChI=1/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H,C7H4N2O5,,,,,,ZILXIZUBLXVYPI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.675,208-441-2,528-76-7,"2,4-dinitrobenzenesulphenyl chloride","2,4-dinitrobenzenesulfenyl chloride",[O-][N+](=O)c1ccc(SCl)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(SCl)c(c1)[N+](=O)[O-],InChI=1/C6H3ClN2O4S/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,C6H3ClN2O4S,,,,,,GPXDNWQSQHFKRB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.677,208-443-3,528-92-7,(2-isopropylpent-4-enoyl)urea,N-carbamoyl-2-isopropylpent-4-enamide,CC(C)C(CC=C)C(=O)NC(=O)N,CC(C)C(CC=C)C(=O)NC(=O)N,"InChI=1/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)",C9H16N2O2,,,,,,KSUUMAWCGDNLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.679,208-445-4,528-96-1,Calcium benzamidosalicylate,calcium N-(4-carboxy-3-oxidophenyl)benzenecarboximidate 2-hydroxy-4-{[hydroxy(phenyl)methylene]amino}benzoic acid (1:1),[Ca+2].O=C(O)c1ccc(cc1O)\\N=C(/O)c2ccccc2.[O-]\\C(=N/c1cc([O-])c(cc1)C(O)=O)c2ccccc2,[Ca+2].O=C(O)c1ccc(cc1O)\N=C(/O)c2ccccc2.[O-]\C(=N/c1cc([O-])c(cc1)C(O)=O)c2ccccc2,"InChI=1/2C14H11NO4.Ca/c2*16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;/h2*1-8,16H,(H,15,17)(H,18,19);/q;;+2/p-2",C14H11NO4.1/2Ca,,,,,,XJUXBRCZUUHSKU-UHFFFAOYSA-L,,,,,,,,,,,
100.007.685,208-452-2,529-20-4,2-tolualdehyde,2-methylbenzaldehyde,Cc1ccccc1C=O,Cc1ccccc1C=O,"InChI=1/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3",C8H8O,,,,,,BTFQKIATRPGRBS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.686,208-453-8,529-21-5,3-ethyl-4-methylpyridine,3-ethyl-4-methylpyridine,CCc1cnccc1C,CCc1cnccc1C,"InChI=1/C8H11N/c1-3-8-6-9-5-4-7(8)2/h4-6H,3H2,1-2H3",C8H11N,,,,,,JDQNYWYMNFRKNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.689,208-456-4,529-28-2,2-iodoanisole,1-iodo-2-methoxybenzene,COc1ccccc1I,COc1ccccc1I,"InChI=1/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",C7H7IO,,,,,,DVQWNQBEUKXONL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.693,208-461-1,529-35-1,"5,6,7,8-tetrahydro-1-naphthol","5,6,7,8-tetrahydronaphthalen-1-ol",Oc1cccc2CCCCc12,Oc1cccc2CCCCc12,"InChI=1/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2",C10H12O,,,,,,SCWNNOCLLOHZIG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.918,210-909-6,625-72-9,(R)-3-hydroxybutyric acid,3-hydroxybutanoic acid,C[C@@H](O)CC(=O)O,C[C@@H](O)CC(=O)O,"InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)",C4H8O3,,,,,,WHBMMWSBFZVSSR-GSVOUGTGSA-N,,,,,,,,,,,
100.009.921,210-912-2,625-82-1,"2,4-dimethyl-1H-pyrrole","2,4-dimethyl-1H-pyrrole",Cc1c[nH]c(C)c1,Cc1c[nH]c(C)c1,"InChI=1/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3",C6H9N,,,,,,MFFMQGGZCLEMCI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.925,210-916-4,625-92-3,"3,5-dibromopyridine","3,5-dibromopyridine",Brc1cncc(Br)c1,Brc1cncc(Br)c1,InChI=1/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H,C5H3Br2N,,,,,,SOSPMXMEOFGPIM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.927,210-919-0,625-98-9,1-chloro-3-fluorobenzene,1-chloro-3-fluorobenzene,Fc1cccc(Cl)c1,Fc1cccc(Cl)c1,InChI=1/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4ClF,,,,,,VZHJIJZEOCBKRA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.931,210-923-2,626-02-8,3-iodophenol,3-iodophenol,Oc1cccc(I)c1,Oc1cccc(I)c1,"InChI=1/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H",C6H5IO,,,,,,FXTKWBZFNQHAAO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.933,210-925-3,626-04-0,"Benzene-1,3-dithiol","benzene-1,3-dithiol",Sc1cccc(S)c1,Sc1cccc(S)c1,"InChI=1/C6H6S2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",C6H6S2,,,,,,ZWOASCVFHSYHOB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.939,210-932-1,626-16-4,"1,3-bis(chloromethyl)benzene","1,3-bis(chloromethyl)benzene",ClCc1cccc(CCl)c1,ClCc1cccc(CCl)c1,"InChI=1/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2",C8H8Cl2,,,,,,GRJWOKACBGZOKT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.942,210-935-8,626-19-7,Isophthalaldehyde,isophthalaldehyde,O=Cc1cccc(C=O)c1,O=Cc1cccc(C=O)c1,InChI=1/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H,C8H6O2,,,,,,IZALUMVGBVKPJD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.948,210-942-6,626-30-2,1-methylheptyl stearate,1-methylheptyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCC,"InChI=1/C26H52O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25(3)23-21-9-7-5-2/h25H,4-24H2,1-3H3",C26H52O2,,,,,,OMJRVNYAQYMXFR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.952,210-946-8,626-38-0,1-methylbutyl acetate,1-methylbutyl acetate,CCCC(C)OC(=O)C,CCCC(C)OC(=O)C,"InChI=1/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3",C7H14O2,,,,,,GQKZRWSUJHVIPE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.953,210-947-3,626-39-1,"1,3,5-tribromobenzene","1,3,5-tribromobenzene",Brc1cc(Br)cc(Br)c1,Brc1cc(Br)cc(Br)c1,InChI=1/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H,C6H3Br3,,,,,,YWDUZLFWHVQCHY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.321,208-052-8,506-77-4,Cyanogen chloride,cyanic chloride,ClC#N,ClC#N,InChI=1/CClN/c2-1-3,CClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18184,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.321,QPJDMGCKMHUXFD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.342,208-075-3,507-52-8,"1,1,1-trifluoro-2-methylpropan-2-ol","1,1,1-trifluoro-2-methylpropan-2-ol",CC(C)(O)C(F)(F)F,CC(C)(O)C(F)(F)F,"InChI=1/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",C4H7F3O,,,,,,OCGWWLDZAFOHGD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.345,208-079-5,507-63-1,Heptadecafluoro-1-iodooctane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26",C8F17I,,,,,,KWXGJTSJUKTDQU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.348,208-082-1,508-29-2,3-chlorobornan-2-one,"3-chloro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC1(C)C(=O)C2Cl,CC1(C)C2CCC1(C)C(=O)C2Cl,"InChI=1/C10H15ClO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3",C10H15ClO,,,,,,TYKNIXUIZSBZSO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.349,208-083-7,508-32-7,"1,7,7-trimethyltricyclo[2.2.1.02,6]heptane","1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane",CC1(C)C2CC3C(C2)C13C,CC1(C)C2CC3C(C2)C13C,"InChI=1/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3",C10H16,,,,,,RRBYUSWBLVXTQN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.350,208-084-2,508-36-1,"Disodium 1,2,2-trimethylcyclopentane-1,3-dicarboxylate",disodium camphorate,[Na+].[Na+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-],[Na+].[Na+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-],"InChI=1/C10H16O4.2Na/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14;;/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14);;/q;2*+1/p-2",C10H16O4.2Na,,,,,,HTBITCNUUYEGAB-UHFFFAOYSA-L,,,,,,,,,,,
100.007.359,208-094-7,509-14-8,Tetranitromethane,tetranitromethane,[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],"InChI=1/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13",CN4O8,,,,,,NYTOUQBROMCLBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.160,208-975-6,549-66-6,Quinine valerate,pentanoic acid - 6'-methoxycinchonan-9-ol (1:1),CCCCC(=O)O.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,CCCCC(=O)O.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.C5H10O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-3-4-5(6)7/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-4H2,1H3,(H,6,7)",C20H24N2O2.C5H10O2,,,,,,YSJITFFVRIOVOZ-DSXUQNDKSA-N,,,,,,,,,,,
100.006.834,207-516-7,477-58-7,"Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-","6,6'-dimethoxy-2,2'-dimethyltubocuraran-7',12'-diol",COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4,COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4,"InChI=1/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3",C36H38N2O6,,,,,,NGZXDRGWBULKFA-WUFINQPMSA-N,,,,,,,,,,,
100.006.841,207-524-0,478-94-4,"9,10-didehydro-6-methylergoline-8ß-carboxamide","6-methyl-9,10-didehydroergoline-8-carboxamide",CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N,CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N,"InChI=1/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)",C16H17N3O,,,,,,GENAHGKEFJLNJB-QMTHXVAHSA-N,,,,,,,,,,,
100.006.842,207-525-6,479-13-0,"3,9-dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one","3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one",Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1,Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1,"InChI=1/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H",C15H8O5,,,,,,ZZIALNLLNHEQPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.850,207-534-5,479-58-3,"2,3-dihydro-1H-phenalene","2,3-dihydro-1H-phenalene",C1Cc2cccc3cccc(C1)c23,C1Cc2cccc3cccc(C1)c23,"InChI=1/C13H12/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-2,4-6,8H,3,7,9H2",C13H12,,,,,,GKNLVRYWFYXZFU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.861,207-546-0,480-30-8,"1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2,2,2-trichloroethane-1,1-diol (1:2)","1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one - 2,2,2-trichloroethane-1,1-diol (1:2)",CN1N(C(=O)C=C1C)c2ccccc2.OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl,CN1N(C(=O)C=C1C)c2ccccc2.OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl,"InChI=1/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H",C11H12N2O.2C2H3Cl3O2,,,,,,ATKXDQOHNICLQW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.868,207-553-9,480-63-7,"2,4,6-trimethylbenzoic acid","2,4,6-trimethylbenzoic acid",Cc1cc(C)c(C(=O)O)c(C)c1,Cc1cc(C)c(C(=O)O)c(C)c1,"InChI=1/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)",C10H12O2,,,,,,FFFIRKXTFQCCKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.871,207-557-0,480-68-2,5-nitrobarbituric acid,"5-nitropyrimidine-2,4,6(1H,3H,5H)-trione",[O-][N+](=O)C1C(=O)NC(=O)NC1=O,[O-][N+](=O)C1C(=O)NC(=O)NC1=O,"InChI=1/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)",C4H3N3O5,,,,,,ABICJYZKIYUWEE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.751,208-524-3,532-03-6,Methocarbamol,2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate,COc1ccccc1OCC(O)COC(=O)N,COc1ccccc1OCC(O)COC(=O)N,"InChI=1/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)",C11H15NO5,,,,,,GNXFOGHNGIVQEH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.752,208-525-9,532-05-8,"1,3-di-6-quinolylurea","1,3-diquinolin-6-ylurea",O=C(Nc1ccc2ncccc2c1)Nc3ccc4ncccc4c3,O=C(Nc1ccc2ncccc2c1)Nc3ccc4ncccc4c3,"InChI=1/C19H14N4O/c24-19(22-15-5-7-17-13(11-15)3-1-9-20-17)23-16-6-8-18-14(12-16)4-2-10-21-18/h1-12H,(H2,22,23,24)",C19H14N4O,,,,,,MJNIRKGFUIUCQO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.672,208-438-6,528-58-5,"3,3',4',5,7-pentahydroxyflavylium chloride","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenium chloride",[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3,[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3,"InChI=1/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H",C15H11O6.Cl,,,,,,LZHKPMBLRNGMGC-UHFFFAOYSA-M,,,,,,,,,,,
100.007.676,208-442-8,528-79-0,Thymol acetate,2-isopropyl-5-methylphenyl acetate,CC(C)c1ccc(C)cc1OC(=O)C,CC(C)c1ccc(C)cc1OC(=O)C,"InChI=1/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3",C12H16O2,,,,,,WFMIUXMJJBBOGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.681,208-448-0,529-02-2,Pulegol,2-isopropylidene-5-methylcyclohexanol,CC1CCC(=C(C)C)C(O)C1,CC1CCC(=C(C)C)C(O)C1,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3",C10H18O,,,,,,JGVWYJDASSSGEK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.684,208-451-7,529-19-1,o-toluonitrile,2-methylbenzonitrile,Cc1ccccc1C#N,Cc1ccccc1C#N,"InChI=1/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3",C8H7N,,,,,,NWPNXBQSRGKSJB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.687,208-454-3,529-23-7,2-aminobenzaldehyde,2-aminobenzaldehyde,Nc1ccccc1C=O,Nc1ccccc1C=O,"InChI=1/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2",C7H7NO,,,,,,FXWFZIRWWNPPOV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.694,208-462-7,529-36-2,Naphthalene-1-thiol,naphthalene-1-thiol,Sc1cccc2ccccc12,Sc1cccc2ccccc12,"InChI=1/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",C10H8S,,,,,,SEXOVMIIVBKGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.695,208-463-2,529-44-2,"3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one","3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one",OC1=C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3,"InChI=1/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",C15H10O8,,,,,,IKMDFBPHZNJCSN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.559,212-714-1,853-23-6,3ß-hydroxyandrost-5-en-17-one acetate,17-oxoandrost-5-en-3-yl acetate,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1,"InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3",C21H30O3,,,,,,NCMZQTLCXHGLOK-ZKHIMWLXSA-N,,,,,,,,,,,
100.011.560,212-715-7,853-34-9,Kebuzone,"4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione",CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,"InChI=1/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3",C19H18N2O3,,,,,,LGYTZKPVOAIUKX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.563,212-718-3,853-67-8,"Disodium 9,10-dihydro-9,10-dioxoanthracene-2,7-disulphonate","disodium 9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)S(=O)(=O)[O-],"InChI=1/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H8O8S2.2Na,,,,,,CSCLXYAAXMCWLG-UHFFFAOYSA-L,,,,,,,,,,,
100.011.566,212-722-5,855-22-1,17ß-hydroxy-5a-androstan-3-one propionate,3-oxoandrostan-17-yl propionate,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C22H34O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h14,16-19H,4-13H2,1-3H3",C22H34O3,,,,,,XTAARPJDFFXHGH-GRPBBMKTSA-N,,,,,,,,,,,
100.011.428,212-571-5,827-43-0,4-methyl-2-phenyl-1H-imidazole,4-methyl-2-phenyl-1H-imidazole,Cc1c[nH]c(n1)c2ccccc2,Cc1c[nH]c(n1)c2ccccc2,"InChI=1/C10H10N2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)",C10H10N2,,,,,,TYOXIFXYEIILLY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.432,212-575-7,827-87-2,1-(1-cyclopropylvinyl)-4-fluorobenzene,1-(1-cyclopropylvinyl)-4-fluorobenzene,Fc1ccc(cc1)C(=C)C2CC2,Fc1ccc(cc1)C(=C)C2CC2,"InChI=1/C11H11F/c1-8(9-2-3-9)10-4-6-11(12)7-5-10/h4-7,9H,1-3H2",C11H11F,,,,,,YLAUWEDWRUWPNX-UHFFFAOYSA-N,,,,,,,,,,,
100.011.433,212-576-2,827-88-3,a-cyclopropyl-4-fluorobenzyl alcohol,cyclopropyl(4-fluorophenyl)methanol,OC(C1CC1)c2ccc(F)cc2,OC(C1CC1)c2ccc(F)cc2,"InChI=1/C10H11FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2",C10H11FO,,,,,,MJODBWDKPXYVMF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.446,212-590-9,829-84-5,Dicyclohexylphosphine,dicyclohexylphosphine,C1CCC(CC1)PC2CCCCC2,C1CCC(CC1)PC2CCCCC2,"InChI=1/C12H23P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2",C12H23P,,,,,,HDULBKVLSJEMGN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.454,212-599-8,830-81-9,1-naphthyl acetate,1-naphthyl acetate,CC(=O)Oc1cccc2ccccc12,CC(=O)Oc1cccc2ccccc12,"InChI=1/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3",C12H10O2,,,,,,VGKONPUVOVVNSU-UHFFFAOYSA-N,,,,,,,,,,,
100.011.455,212-600-1,830-96-6,3-(indol-3-yl)propionic acid,3-(1H-indol-3-yl)propanoic acid,OC(=O)CCc1c[nH]c2ccccc12,OC(=O)CCc1c[nH]c2ccccc12,"InChI=1/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)",C11H11NO2,,,,,,GOLXRNDWAUTYKT-UHFFFAOYSA-N,,,,,,,,,,,
100.011.460,212-605-9,831-54-9,Sodium 5-sulphosalicylate,sodium 2-hydroxy-5-sulfobenzoate,[Na+].Oc1ccc(cc1C(=O)[O-])S(=O)(=O)O,[Na+].Oc1ccc(cc1C(=O)[O-])S(=O)(=O)O,"InChI=1/C7H6O6S.Na/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3,8H,(H,9,10)(H,11,12,13);/q;+1/p-1",C7H6O6S.Na,,,,,,RILRIYCWJQJNTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.011.465,212-611-1,831-82-3,4-phenoxyphenol,4-phenoxyphenol,Oc1ccc(Oc2ccccc2)cc1,Oc1ccc(Oc2ccccc2)cc1,"InChI=1/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H",C12H10O2,,,,,,ZSBDGXGICLIJGD-UHFFFAOYSA-N,Negative,,,,,,SM802253,[M-H]-,HCD35,185.0608:184.053:129.0707,CASMI_2016
100.011.469,212-615-3,832-10-0,Cyclotridecanone,cyclotridecanone,O=C1CCCCCCCCCCCC1,O=C1CCCCCCCCCCCC1,InChI=1/C13H24O/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h1-12H2,C13H24O,,,,,,VHUGWUBIUBBUAF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.478,212-625-8,832-85-9,Sodium 7-hydroxynaphthalene-1-sulphonate,sodium 7-hydroxynaphthalene-1-sulfonate,[Na+].Oc1ccc2cccc(c2c1)S(=O)(=O)[O-],[Na+].Oc1ccc2cccc(c2c1)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,ILYATEDYTGOHMO-UHFFFAOYSA-M,,,,,,,,,,,
100.012.270,213-497-6,959-26-2,Bis(hydroxyethyl) terephthalate,bis(1-hydroxyethyl) terephthalate,CC(O)OC(=O)c1ccc(cc1)C(=O)OC(C)O,CC(O)OC(=O)c1ccc(cc1)C(=O)OC(C)O,"InChI=1/C12H14O6/c1-7(13)17-11(15)9-3-5-10(6-4-9)12(16)18-8(2)14/h3-8,13-14H,1-2H3",C12H14O6,,,,,,PSRMAFCMSRBSAM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.282,213-510-5,961-69-3,Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate,potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate,[K+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)c1ccccc1,[K+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)c1ccccc1,"InChI=1/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1",C14H17NO4.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5235,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.282,QMWWAEFYIXXXQW-BTQNPOSSSA-M,,,,,,,,,,,
100.007.704,208-473-7,530-14-3,1-[4-(ß-D-glucopyranosyloxy)phenyl]ethan-1-one,4-acetylphenyl beta-D-glucopyranoside,CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,"InChI=1/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3",C14H18O7,,,,,,GOZCEKPKECLKNO-RKQHYHRCSA-N,,,,,,,,,,,
100.007.721,208-492-0,530-66-5,Quinolinium hydrogen sulphate,quinolinium hydrogen sulfate,[O-]S(=O)(=O)[O-].c1ccc2[nH+]cccc2c1,[O-]S(=O)(=O)[O-].c1ccc2[nH+]cccc2c1,"InChI=1/C9H7N.H2O4S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;(H2,1,2,3,4)/p-1",C9H7N.H2O4S,,,,,,WSZKUEZEYFNPID-UHFFFAOYSA-M,,,,,,,,,,,
100.007.723,208-494-1,530-78-9,Flufenamic acid,2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid,OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,"InChI=1/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)",C14H10F3NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6975,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.723,LPEPZBJOKDYZAD-UHFFFAOYSA-N,Positive/Negative,EQ302101|EQ302102|EQ302103|EQ302104|EQ302105|EQ302106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,264.063:282.0734:195.0676|264.0629:244.057:282.0736|264.063:244.0569:195.0677|264.063:244.0569:216.0619|264.063:244.0568:216.0619|167.0729:216.0619:244.0568,Eawag,EQ302151|EQ302152|EQ302153|EQ302154|EQ302155|EQ302156,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,280.0591:236.0693:216.063|236.0693:280.0591:216.0631|236.0693:176.0505:234.0538|236.0693:176.0506:234.0538|176.0505:234.0537:236.0693|176.0505:234.0537:160.038,Eawag
100.007.044,207-747-3,492-11-5,"2-aminopteridine-4,6,7-triol","2-aminopteridine-4,6,7-triol",Nc1nc(O)c2nc(O)c(O)nc2n1,Nc1nc(O)c2nc(O)c(O)nc2n1,"InChI=1/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h(H,8,13)(H4,7,9,10,11,12,14)",C6H5N5O3,,,,,,SFLOGVVDXPCWGR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.047,207-751-5,492-27-3,4-hydroxyquinoline-2-carboxylic acid,4-hydroxyquinoline-2-carboxylic acid,OC(=O)c1cc(O)c2ccccc2n1,OC(=O)c1cc(O)c2ccccc2n1,"InChI=1/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)",C10H7NO3,,,,,,HCZHHEIFKROPDY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.049,207-753-6,492-38-6,Atropic acid,atropic acid,OC(=O)C(=C)c1ccccc1,OC(=O)C(=C)c1ccccc1,"InChI=1/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)",C9H8O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17944,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.049,ONPJWQSDZCGSQM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.053,207-757-8,492-62-6,a-D-glucose,alpha-D-glucopyranose,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",C6H12O6,,,,,,WQZGKKKJIJFFOK-DVKNGEFBSA-N,,,,,,,,,,,
100.007.055,207-759-9,492-73-9,Di-2-pyridylethanedione,"1,2-dipyridin-2-ylethane-1,2-dione",O=C(C(=O)c1ccccn1)c2ccccn2,O=C(C(=O)c1ccccn1)c2ccccn2,InChI=1/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H,C12H8N2O2,,,,,,PIINXYKJQGMIOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.068,207-774-0,493-05-0,Isochromane,"3,4-dihydro-1H-isochromene",C1Cc2ccccc2CO1,C1Cc2ccccc2CO1,"InChI=1/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2",C9H10O,,,,,,HEBMCVBCEDMUOF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.071,207-777-7,493-53-8,Sodium O-acetylsalicylate,sodium 2-acetoxybenzoate,[Na+].O=C(C)Oc1ccccc1C([O-])=O,[Na+].O=C(C)Oc1ccccc1C([O-])=O,"InChI=1/C9H8O4.Na/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2-5H,1H3,(H,11,12);/q;+1/p-1",C9H8O4.Na,,,,,,JZLOKWGVGHYBKD-UHFFFAOYSA-M,,,,,,,,,,,
100.007.074,207-780-3,493-78-7,Methaphenilene,"N,N-dimethyl-N'-phenyl-N'-(2-thienylmethyl)ethane-1,2-diamine",CN(C)CCN(Cc1cccs1)c2ccccc2,CN(C)CCN(Cc1cccs1)c2ccccc2,"InChI=1/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3",C15H20N2S,,,,,,LDYJXVUOVPVZKA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.076,207-782-4,493-90-3,"7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid","3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphine-2,18-diyl)dipropanoic acid",CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O,CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O,"InChI=1/C34H36N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16H,7-12H2,1-6H3,(H,39,40)(H,41,42)",C34H38N4O4,,,,,,JWGGQDDFJIMHMT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.080,207-787-1,494-19-9,"10,11-dihydro-5H-dibenz[b,f]azepine","10,11-dihydro-5H-dibenzo[b,f]azepine",C1Cc2ccccc2Nc3ccccc13,C1Cc2ccccc2Nc3ccccc13,"InChI=1/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2",C14H13N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1710,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.080,ZSMRRZONCYIFNB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.083,207-790-8,494-47-3,"1,3,5-tri(2-furyl)-2,4-diazapenta-1,4-diene","1-(2-furyl)-N,N'-bis(2-furylmethylene)methanediamine",C(=NC(N=Cc1ccco1)c2ccco2)c3ccco3,C(=NC(N=Cc1ccco1)c2ccco2)c3ccco3,"InChI=1/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H",C15H12N2O3,,,,,,CYGDSXFTXXFMNI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.091,207-799-7,495-40-9,Butyrophenone,1-phenylbutan-1-one,CCCC(=O)c1ccccc1,CCCC(=O)c1ccccc1,"InChI=1/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",C10H12O,,,,,,FFSAXUULYPJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.095,207-803-7,495-54-5,"4-(phenylazo)benzene-1,3-diamine","4-(phenyldiazenyl)benzene-1,3-diamine",Nc2ccc(N=Nc1ccccc1)c(N)c2,Nc2ccc(N=Nc1ccccc1)c(N)c2,"InChI=1/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2",C12H12N4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17731,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.095,IWRVPXDHSLTIOC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.163,208-978-2,550-10-7,Hydrocotarnine,"4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline",COc1c2CN(C)CCc2cc3OCOc13,COc1c2CN(C)CCc2cc3OCOc13,"InChI=1/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3",C12H15NO3,,,,,,XXANNZJIZQTCBP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.164,208-979-8,550-24-3,"2,5-dihydroxy-3-undecyl-p-benzoquinone","2,5-dihydroxy-3-undecyl-1,4-benzoquinone",CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O,CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O,"InChI=1/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3",C17H26O4,,,,,,IRSFLDGTOHBADP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.167,208-982-4,550-44-7,N-methylphthalimide,"2-methyl-1H-isoindole-1,3(2H)-dione",CN1C(=O)c2ccccc2C1=O,CN1C(=O)c2ccccc2C1=O,"InChI=1/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3",C9H7NO2,,,,,,ZXLYYQUMYFHCLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.172,208-988-7,550-83-4,Propoxycaine hydrochloride,2-(diethylamino)ethyl 4-amino-2-propoxybenzoate hydrochloride,Cl.CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,Cl.CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,"InChI=1/C16H26N2O3.ClH/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H",C16H26N2O3.ClH,,,,,,GITPCGSPKUQZTE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.177,208-993-4,551-16-6,6-aminopenicillanic acid,"6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2C(N)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2C(N)C(=O)N2[C@H]1C(=O)O,"InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)",C8H12N2O3S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14138,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.177,NGHVIOIJCVXTGV-FLAGSPETSA-N,,,,,,,,,,,
100.008.178,208-995-5,551-27-9,Propicillin,"3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CCC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O,CCC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O,"InChI=1/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)",C18H22N2O5S,,,,,,HOCWPKXKMNXINF-XQERAMJGSA-N,,,,,,,,,,,
100.008.179,208-996-0,551-48-4,"Bis[3-[2-(2,6-dichlorophenoxy)ethyl]carbazamidine] sulphate","2-[2-(2,6-dichlorophenoxy)ethyl]hydrazinecarboximidamide sulfate (2:1)",NC(=N)NNCCOc1c(Cl)cccc1Cl.NC(=N)NNCCOc2c(Cl)cccc2Cl.OS(=O)(=O)O,NC(=N)NNCCOc1c(Cl)cccc1Cl.NC(=N)NNCCOc2c(Cl)cccc2Cl.OS(=O)(=O)O,"InChI=1/2C9H12Cl2N4O.H2O4S/c2*10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13;1-5(2,3)4/h2*1-3,14H,4-5H2,(H4,12,13,15);(H2,1,2,3,4)",C9H12Cl2N4O.1/2H2O4S,,,,,,OLLMPVQGLMNQQK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.183,209-000-7,551-72-4,1L-chiro-inositol,"cyclohexane-1,2,3,4,5,6-hexol",O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O,O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O,InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,C6H12O6,,,,,,CDAISMWEOUEBRE-SHFUYGGZSA-N,,,,,,,,,,,
100.008.189,209-007-5,552-22-7,"5,5'-diisopropyl-2,2'-dimethylbiphenyl-4,4'-diyl dihypoiodite","5,5'-diisopropyl-2,2'-dimethylbiphenyl-4,4'-diyl dihypoiodite",CC(C)c1cc(c(C)cc1OI)c2cc(C(C)C)c(OI)cc2C,CC(C)c1cc(c(C)cc1OI)c2cc(C(C)C)c(OI)cc2C,"InChI=1/C20H24I2O2/c1-11(2)15-9-17(13(5)7-19(15)23-21)18-10-16(12(3)4)20(24-22)8-14(18)6/h7-12H,1-6H3",C20H24I2O2,,,,,,SHOKWSLXDAIZPP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.195,209-013-8,552-45-4,a-chloro-o-xylene,1-(chloromethyl)-2-methylbenzene,Cc1ccccc1CCl,Cc1ccccc1CCl,"InChI=1/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3",C8H9Cl,,,,,,VQRBXYBBGHOGFT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.197,209-015-9,552-57-8,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside,CC1OC(OCC2OC(Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1O,CC1OC(OCC2OC(Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3",C27H30O14,,,,,,FKIYLTVJPDLUDL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.199,209-018-5,552-59-0,5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone,5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one,COc1cc(O)c2C(=O)C(=COc2c1)c3ccc(O)cc3,COc1cc(O)c2C(=O)C(=COc2c1)c3ccc(O)cc3,"InChI=1/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",C16H12O5,,,,,,KQMVAGISDHMXJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.200,209-019-0,552-62-5,"3,7-dihydro-7-methyl-1H-purine-2,6-dione","7-methyl-3,7-dihydro-1H-purine-2,6-dione",Cn1cnc2NC(=O)NC(=O)c12,Cn1cnc2NC(=O)NC(=O)c12,"InChI=1/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)",C6H6N4O2,,,,,,PFWLFWPASULGAN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.520,207-170-7,446-51-5,2-fluorobenzylic alcohol,(2-fluorophenyl)methanol,OCc1ccccc1F,OCc1ccccc1F,"InChI=1/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2",C7H7FO,,,,,,QEHXDOJPVIHUDO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.697,208-465-3,529-64-6,Tropic acid,tropic acid,OCC(C(=O)O)c1ccccc1,OCC(C(=O)O)c1ccccc1,"InChI=1/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",C9H10O3,,,,,,JACRWUWPXAESPB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.698,208-466-9,529-65-7,N-ethylacetanilide,N-ethyl-N-phenylacetamide,CCN(C(=O)C)c1ccccc1,CCN(C(=O)C)c1ccccc1,"InChI=1/C10H13NO/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3",C10H13NO,,,,,,FSSVIYSWRLKICW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.699,208-467-4,529-68-0,Ethyl O-acetylsalicylate,ethyl 2-acetoxybenzoate,O=C(C)Oc1ccccc1C(=O)OCC,O=C(C)Oc1ccccc1C(=O)OCC,"InChI=1/C11H12O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h4-7H,3H2,1-2H3",C11H12O4,,,,,,UYDSGXAKLVZWIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.705,208-474-2,530-26-7,D-mannopyranose,D-mannopyranose,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",C6H12O6,,,,,,WQZGKKKJIJFFOK-QTVWNMPRSA-N,,,,,,,,,,,
100.007.709,208-478-4,530-44-9,4-(dimethylamino)benzophenone,[4-(dimethylamino)phenyl](phenyl)methanone,CN(C)c1ccc(cc1)C(=O)c2ccccc2,CN(C)c1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3",C15H15NO,,,,,,BEUGBYXJXMVRFO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.712,208-482-6,530-48-3,"1,1-diphenylethylene","1,1'-ethene-1,1-diyldibenzene",C=C(c1ccccc1)c2ccccc2,C=C(c1ccccc1)c2ccccc2,"InChI=1/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2",C14H12,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13775,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.712,ZMYIIHDQURVDRB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.714,208-484-7,530-55-2,"2,6-dimethoxy-p-benzoquinone","2,6-dimethoxy-1,4-benzoquinone",COC1=CC(=O)C=C(OC)C1=O,COC1=CC(=O)C=C(OC)C1=O,"InChI=1/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3",C8H8O4,,,,,,OLBNOBQOQZRLMP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.715,208-485-2,530-56-3,"4-hydroxy-3,5-dimethoxybenzyl alcohol","4-(hydroxymethyl)-2,6-dimethoxyphenol",COc1cc(CO)cc(OC)c1O,COc1cc(CO)cc(OC)c1O,"InChI=1/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3",C9H12O4,,,,,,LUOAEJWSKPQLJD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.722,208-493-6,530-75-6,2-carboxyphenyl o-acetylsalicylate,2-[(2-acetoxybenzoyl)oxy]benzoic acid,O=C(C)Oc2ccccc2C(=O)Oc1ccccc1C(O)=O,O=C(C)Oc2ccccc2C(=O)Oc1ccccc1C(O)=O,"InChI=1/C16H12O6/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19/h2-9H,1H3,(H,18,19)",C16H12O6,,,,,,DDSFKIFGAPZBSR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.043,207-746-8,492-10-4,"2-amino-1,5-dihydro-7-methylpteridine-4,6-dione","2-amino-7-methyl-1,5-dihydropteridine-4,6-dione",CC1=NC2=C(NC1=O)C(=O)N=C(N)N2,CC1=NC2=C(NC1=O)C(=O)N=C(N)N2,"InChI=1/C7H7N5O2/c1-2-5(13)10-3-4(9-2)11-7(8)12-6(3)14/h1H3,(H,10,13)(H3,8,9,11,12,14)",C7H7N5O2,,,,,,QHJGJOBIIBEJNN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.046,207-749-4,492-22-8,Thioxanthen-9-one,9H-thioxanthen-9-one,O=C1c2ccccc2Sc3ccccc13,O=C1c2ccccc2Sc3ccccc13,InChI=1/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,C13H8OS,,,,,,YRHRIQCWCFGUEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.048,207-752-0,492-37-5,Hydratropic acid,hydratropic acid,CC(C(=O)O)c1ccccc1,CC(C(=O)O)c1ccccc1,"InChI=1/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)",C9H10O2,,,,,,YPGCWEMNNLXISK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.050,207-754-1,492-39-7,Cathine,2-amino-1-phenylpropan-1-ol,C[C@H](N)[C@@H](O)c1ccccc1,C[C@H](N)[C@@H](O)c1ccccc1,"InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3",C9H13NO,,,,,,DLNKOYKMWOXYQA-IONNQARKSA-N,,,,,,,,,,,
100.007.051,207-755-7,492-41-1,"[R-(R*,S*)]-a-(1-aminoethyl)benzyl alcohol",2-amino-1-phenylpropan-1-ol,CC(N)C(O)c1ccccc1,CC(N)C(O)c1ccccc1,"InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3",C9H13NO,,,,,,DLNKOYKMWOXYQA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.066,207-771-4,493-02-7,trans-bicyclo[4.4.0]decane,decahydronaphthalene,C1CC[C@@H]2CCCC[C@H]2C1,C1CC[C@@H]2CCCC[C@H]2C1,"InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2",C10H18,,,,,,NNBZCPXTIHJBJL-MGCOHNPYSA-N,,,,,,,,,,,
100.007.067,207-773-5,493-04-9,"1,4,5,8-tetrahydronaphthalene","1,4,5,8-tetrahydronaphthalene",C1C=CCC2=C1CC=CC2,C1C=CCC2=C1CC=CC2,"InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-4H,5-8H2",C10H12,,,,,,FSWYUDLVKBSHDX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.072,207-778-2,493-76-5,Propanocaine,3-(diethylamino)-1-phenylpropyl benzoate,CCN(CC)CCC(OC(=O)c1ccccc1)c2ccccc2,CCN(CC)CCC(OC(=O)c1ccccc1)c2ccccc2,"InChI=1/C20H25NO2/c1-3-21(4-2)16-15-19(17-11-7-5-8-12-17)23-20(22)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3",C20H25NO2,,,,,,VPRGXNLHFBBDFS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.075,207-781-9,493-80-1,Histapyrrodine,N-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline,C(CN1CCCC1)N(Cc2ccccc2)c3ccccc3,C(CN1CCCC1)N(Cc2ccccc2)c3ccccc3,"InChI=1/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2",C19H24N2,,,,,,MXHODDGKGSGCDI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.283,213-511-0,962-39-0,Benzyl 3-phenyl-L-alaninate,benzyl phenylalaninate,N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2,N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2,"InChI=1/C16H17NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2",C16H17NO2,,,,,,FPRSPUHXEPWUBZ-HNNXBMFYSA-N,,,,,,,,,,,
100.012.299,213-528-3,968-46-7,2-(dimethylamino)ethyl phenylglycolate,2-(dimethylamino)ethyl hydroxy(phenyl)acetate,CN(C)CCOC(=O)C(O)c1ccccc1,CN(C)CCOC(=O)C(O)c1ccccc1,"InChI=1/C12H17NO3/c1-13(2)8-9-16-12(15)11(14)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3",C18H21NO3,,,,,,UQXGVJZBJNUWFF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.300,213-529-9,968-58-1,"a,a-diphenylpiperidine-1-propanol hydrochloride","1,1-diphenyl-3-piperidin-1-ylpropan-1-ol hydrochloride",Cl.OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3,Cl.OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C20H25NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H",C20H25NO.ClH,,,,,,IECCHUISCGCKKS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.308,213-538-8,971-34-6,N-[1-(benzyl)-4-piperidyl]benzamide,N-(1-benzylpiperidin-4-yl)benzamide,O=C(NC1CCN(Cc2ccccc2)CC1)c3ccccc3,O=C(NC1CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C19H22N2O/c22-19(17-9-5-2-6-10-17)20-18-11-13-21(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)",C19H22N2O,,,,,,LDGORKJXEGHFBK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.850,211-934-5,714-08-9,2-styrylpyridine,2-(2-phenylvinyl)pyridine,C(=C\\c1ccccn1)/c2ccccc2,C(=C\c1ccccn1)/c2ccccc2,InChI=1/C13H11N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-11H,C13H11N,,,,,,BIAWAXVRXKIUQB-MDZDMXLPSA-N,,,,,,,,,,,
100.010.851,211-935-0,714-87-4,"3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide","3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide",ClP1(=O)OCC2(COP(=O)(Cl)OC2)CO1,ClP1(=O)OCC2(COP(=O)(Cl)OC2)CO1,"InChI=1/C5H8Cl2O6P2/c6-14(8)10-1-5(2-11-14)3-12-15(7,9)13-4-5/h1-4H2",C5H8Cl2O6P2,,,,,,OCSPARJUBMYNLY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.864,211-949-7,719-59-5,2-amino-5-chlorobenzophenone,(2-amino-5-chlorophenyl)(phenyl)methanone,Nc1ccc(Cl)cc1C(=O)c2ccccc2,Nc1ccc(Cl)cc1C(=O)c2ccccc2,"InChI=1/C13H10ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2",C13H10ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17985,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.864,ZUWXHHBROGLWNH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.868,211-953-9,720-44-5,4-methoxybenzhydryl alcohol,(4-methoxyphenyl)(phenyl)methanol,COc1ccc(cc1)C(O)c2ccccc2,COc1ccc(cc1)C(O)c2ccccc2,"InChI=1/C14H14O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3",C14H14O2,,,,,,BEGZWXVLBIZFKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.872,211-958-6,721-66-4,N-glycyl-3-phenyl-DL-alanine,N-(2-amino-1-hydroxyethylidene)phenylalanine,OC(=O)C(\\N=C(\\O)CN)Cc1ccccc1,OC(=O)C(\N=C(\O)CN)Cc1ccccc1,"InChI=1/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)",C11H14N2O3,,,,,,JBCLFWXMTIKCCB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.873,211-959-1,721-91-5,N-cyclohexyl-4-ethoxyaniline,N-cyclohexyl-4-ethoxyaniline,CCOc1ccc(NC2CCCCC2)cc1,CCOc1ccc(NC2CCCCC2)cc1,"InChI=1/C14H21NO/c1-2-16-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12/h8-12,15H,2-7H2,1H3",C14H21NO,,,,,,MNXAOJGEPQJONJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.876,211-962-8,722-56-5,Diphenyliodonium nitrate,diphenyliodonium nitrate,[O-][N+](=O)[O-].[I+](c1ccccc1)c2ccccc2,[O-][N+](=O)[O-].[I+](c1ccccc1)c2ccccc2,InChI=1/C12H10I.NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;/q+1;-1,C12H10I.NO3,,,,,,CQZCVYWWRJDZBO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.878,211-964-9,723-62-6,Anthracene-9-carboxylic acid,anthracene-9-carboxylic acid,OC(=O)c1c2ccccc2cc3ccccc13,OC(=O)c1c2ccccc2cc3ccccc13,"InChI=1/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)",C15H10O2,,,,,,XGWFJBFNAQHLEF-UHFFFAOYSA-N,Negative,,,,,,SM802652,[M-H]-,HCD35,177.071:221.0608:193.0656,CASMI_2016
100.010.881,211-968-0,725-12-2,"2,5-diphenyl-1,3,4-oxadiazole","2,5-diphenyl-1,3,4-oxadiazole",o1c(nnc1c2ccccc2)c3ccccc3,o1c(nnc1c2ccccc2)c3ccccc3,InChI=1/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H,C14H10N2O,,,,,,DCJKUXYSYJBBRD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.882,211-969-6,725-32-6,"Piperidine-1-dithiocarboxylic acid, anhydrosulphide",piperidine-1-carbothioic thioanhydride,S=C(SC(=S)N1CCCCC1)N2CCCCC2,S=C(SC(=S)N1CCCCC1)N2CCCCC2,InChI=1/C12H20N2S3/c15-11(13-7-3-1-4-8-13)17-12(16)14-9-5-2-6-10-14/h1-10H2,C12H20N2S3,,,,,,PFOWLPUJPOQMAL-UHFFFAOYSA-N,,,,,,,,,,,
100.010.885,211-972-2,727-99-1,2-(trifluoromethyl)benzophenone,phenyl[2-(trifluoromethyl)phenyl]methanone,FC(F)(F)c1ccccc1C(=O)c2ccccc2,FC(F)(F)c1ccccc1C(=O)c2ccccc2,"InChI=1/C14H9F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H",C14H9F3O,,,,,,JXIWJBWMQXDALU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.891,211-979-0,729-43-1,1-phenylethan-1-one (1-phenylethylidene)hydrazone,bis(1-phenylethylidene)hydrazine,CC(=NN=C(C)c1ccccc1)c2ccccc2,CC(=NN=C(C)c1ccccc1)c2ccccc2,"InChI=1/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3",C16H16N2,,,,,,MOKMQSIJAHPSQX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.096,207-804-2,495-60-3,"[S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene","5-(1,5-dimethylhex-4-en-1-yl)-2-methylcyclohexa-1,3-diene",CC(CCC=C(C)C)C1CC=C(C)C=C1,CC(CCC=C(C)C)C1CC=C(C)C=C1,"InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3",C15H24,,,,,,KKOXKGNSUHTUBV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.586,209-443-6,579-56-6,Isoxsuprine hydrochloride,4-{1-hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl}phenol hydrochloride,Cl.CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2,Cl.CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2,"InChI=1/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H",C18H23NO3.ClH,,,,,,QVPSGVSNYPRFAS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.589,209-446-2,579-74-8,1-(2-methoxyphenyl)ethan-1-one,1-(2-methoxyphenyl)ethanone,COc1ccccc1C(=O)C,COc1ccccc1C(=O)C,"InChI=1/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3",C9H10O2,,,,,,DWPLEOPKBWNPQV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.592,209-449-9,579-98-6,N-acetyl-N-phenylglycine,N-acetyl-N-phenylglycine,CC(=O)N(CC(=O)O)c1ccccc1,CC(=O)N(CC(=O)O)c1ccccc1,"InChI=1/C10H11NO3/c1-8(12)11(7-10(13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)",C10H11NO3,,,,,,SHXTZVXDUILKNY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.595,209-453-0,580-15-4,Quinolin-6-amine,quinolin-6-amine,Nc1ccc2ncccc2c1,Nc1ccc2ncccc2c1,"InChI=1/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2",C9H8N2,,,,,,RJSRSRITMWVIQT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.597,209-455-1,580-17-6,3-quinolylamine,quinolin-3-amine,Nc1cnc2ccccc2c1,Nc1cnc2ccccc2c1,"InChI=1/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2",C9H8N2,,,,,,SVNCRRZKBNSMIV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.602,209-460-9,581-08-8,2'-ethoxyacetanilide,N-(2-ethoxyphenyl)acetamide,CCOc1ccccc1NC(=O)C,CCOc1ccccc1NC(=O)C,"InChI=1/C10H13NO2/c1-3-13-10-7-5-4-6-9(10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",C10H13NO2,,,,,,SQRTWLGWCOJOTO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.603,209-461-4,581-29-3,Acridin-3-ylamine,acridin-3-amine,Nc1ccc2cc3ccccc3nc2c1,Nc1ccc2cc3ccccc3nc2c1,"InChI=1/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2",C13H10N2,,,,,,GHCKERHPOQWERJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.605,209-464-0,581-42-0,"2,6-dimethylnaphthalene","2,6-dimethylnaphthalene",Cc1ccc2cc(C)ccc2c1,Cc1ccc2cc(C)ccc2c1,"InChI=1/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",C12H12,,,,,,YGYNBBAUIYTWBF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.608,209-467-7,581-47-5,"2,4'-bipyridine","2,4'-bipyridine",c1ccc(nc1)c2ccncc2,c1ccc(nc1)c2ccncc2,InChI=1/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H,C10H8N2,,,,,,RMHQDKYZXJVCME-UHFFFAOYSA-N,,,,,,,,,,,
100.008.610,209-469-8,581-55-5,Benzylidene diacetate,phenylmethylene diacetate,CC(=O)OC(OC(=O)C)c1ccccc1,CC(=O)OC(OC(=O)C)c1ccccc1,"InChI=1/C11H12O4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7,11H,1-2H3",C11H12O4,,,,,,XRYSDRCNTMEYFH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.615,209-475-0,581-96-4,2-naphthylacetic acid,2-naphthylacetic acid,OC(=O)Cc1ccc2ccccc2c1,OC(=O)Cc1ccc2ccccc2c1,"InChI=1/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)",C12H10O2,,,,,,VIBOGIYPPWLDTI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.617,209-477-1,582-16-1,"2,7-dimethylnaphthalene","2,7-dimethylnaphthalene",Cc1ccc2ccc(C)cc2c1,Cc1ccc2ccc(C)cc2c1,"InChI=1/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3",C12H12,,,,,,LRQYSMQNJLZKPS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.618,209-478-7,582-17-2,"Naphthalene-2,7-diol","naphthalene-2,7-diol",Oc1ccc2ccc(O)cc2c1,Oc1ccc2ccc(O)cc2c1,"InChI=1/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H",C10H8O2,,,,,,DFQICHCWIIJABH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.627,209-488-1,582-60-5,"5,6-dimethylbenzimidazole","5,6-dimethyl-1H-benzimidazole",Cc1cc2nc[nH]c2cc1C,Cc1cc2nc[nH]c2cc1C,"InChI=1/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)",C9H10N2,,,,,,LJUQGASMPRMWIW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.630,209-491-8,582-78-5,4'-methylbenzanilide,N-(4-methylphenyl)benzamide,Cc1ccc(NC(=O)c2ccccc2)cc1,Cc1ccc(NC(=O)c2ccccc2)cc1,"InChI=1/C14H13NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)",C14H13NO,,,,,,YUIHXKGKVSVIEL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.631,209-492-3,582-83-2,4'-fluorobutyrophenone,1-(4-fluorophenyl)butan-1-one,CCCC(=O)c1ccc(F)cc1,CCCC(=O)c1ccc(F)cc1,"InChI=1/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3",C10H11FO,,,,,,QHDXPJMOWRLLRV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.635,209-497-0,583-08-4,N-(pyridin-3-ylcarbonyl)glycine,N-(pyridin-3-ylcarbonyl)glycine,OC(=O)CNC(=O)c1cccnc1,OC(=O)CNC(=O)c1cccnc1,"InChI=1/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)",C8H8N2O3,,,,,,ZBSGKPYXQINNGF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.636,209-498-6,583-10-8,Potassium hippurate,potassium (benzoylamino)acetate,[K+].[O-]C(=O)CNC(=O)c1ccccc1,[K+].[O-]C(=O)CNC(=O)c1ccccc1,"InChI=1/C9H9NO3.K/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);/q;+1/p-1",C9H9NO3.K,,,,,,DBSLYHVNOQTSHY-UHFFFAOYSA-M,,,,,,,,,,,
100.006.528,207-179-6,447-05-2,5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate,[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate,Cc1ncc(COP(=O)(O)O)c(CO)c1O,Cc1ncc(COP(=O)(O)O)c(CO)c1O,"InChI=1/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)",C8H12NO6P,,,,,,WHOMFKWHIQZTHY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.534,207-185-9,447-61-0,o-(trifluoromethyl)benzaldehyde,2-(trifluoromethyl)benzaldehyde,FC(F)(F)c1ccccc1C=O,FC(F)(F)c1ccccc1C=O,"InChI=1/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H",C8H5F3O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6645,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.534,ZDVRPKUWYQVVDX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.536,207-188-5,449-55-8,"6,11-dihydro-5H-dibenz[b,e]azepine","6,11-dihydro-5H-dibenzo[b,e]azepine",C1Nc2ccccc2Cc3ccccc13,C1Nc2ccccc2Cc3ccccc13,"InChI=1/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,15H,9-10H2",C14H13N,,,,,,YSHVGIKWUJCBLY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.538,207-190-6,450-95-3,2-fluoro-1-phenylethan-1-one,2-fluoro-1-phenylethanone,FCC(=O)c1ccccc1,FCC(=O)c1ccccc1,"InChI=1/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2",C8H7FO,,,,,,YOMBUJAFGMOIGS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.547,207-200-9,452-58-4,"Pyridine-2,3-diyldiamine","pyridine-2,3-diamine",Nc1cccnc1N,Nc1cccnc1N,"InChI=1/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)",C5H7N3,,,,,,ZZYXNRREDYWPLN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.549,207-203-5,452-63-1,2-bromo-5-fluorotoluene,1-bromo-4-fluoro-2-methylbenzene,Cc1cc(F)ccc1Br,Cc1cc(F)ccc1Br,"InChI=1/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3",C7H6BrF,,,,,,RJPNVPITBYXBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.550,207-204-0,452-66-4,5-chloro-2-fluorotoluene,4-chloro-1-fluoro-2-methylbenzene,Cc1cc(Cl)ccc1F,Cc1cc(Cl)ccc1F,"InChI=1/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",C7H6ClF,,,,,,JOXXHDGUTVUBDL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.551,207-205-6,452-67-5,"2,5-difluorotoluene","1,4-difluoro-2-methylbenzene",Cc1cc(F)ccc1F,Cc1cc(F)ccc1F,"InChI=1/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",C7H6F2,,,,,,YSNVKDGEALPJGC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.555,207-209-8,452-73-3,2-chloro-4-fluorotoluene,2-chloro-4-fluoro-1-methylbenzene,Cc1ccc(F)cc1Cl,Cc1ccc(F)cc1Cl,"InChI=1/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3",C7H6ClF,,,,,,CSARJIQZOSVYHA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.560,207-215-0,452-95-9,Ethyl DL-methionate,ethyl L-methioninate,CCOC(=O)[C@@H](N)CCSC,CCOC(=O)[C@@H](N)CCSC,"InChI=1/C7H15NO2S/c1-3-10-7(9)6(8)4-5-11-2/h6H,3-5,8H2,1-2H3",C7H15NO2S,,,,,,ARJXIGOIOGJAKR-LURJTMIESA-N,,,,,,,,,,,
100.006.563,207-218-7,453-18-9,Methyl fluoroacetate,methyl fluoroacetate,COC(=O)CF,COC(=O)CF,"InChI=1/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3",C3H5FO2,,,,,,RJBYSQHLLIHSLT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.958,210-953-6,626-56-2,3-methylpiperidine,3-methylpiperidine,CC1CCCNC1,CC1CCCNC1,"InChI=1/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3",C6H13N,,,,,,JEGMWWXJUXDNJN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.962,210-957-8,626-62-0,Iodocyclohexane,iodocyclohexane,IC1CCCCC1,IC1CCCCC1,"InChI=1/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2",C6H11I,,,,,,FUCOMWZKWIEKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.963,210-958-3,626-64-2,Pyridin-4-ol,pyridin-4-ol,Oc1ccncc1,Oc1ccncc1,"InChI=1/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)",C5H5NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18944,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.963,GCNTZFIIOFTKIY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.979,210-976-1,626-99-3,"Penta-2,4-dienoic acid","penta-2,4-dienoic acid",C=CC=CC(O)=O,C=CC=CC(O)=O,"InChI=1/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)",C5H6O2,,,,,,SDVVLIIVFBKBMG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.981,210-978-2,627-03-2,Ethoxyacetic acid,ethoxyacetic acid,CCOCC(=O)O,CCOCC(=O)O,"InChI=1/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)",C4H8O3,,,,,,YZGQDNOIGFBYKF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.988,210-986-6,627-18-9,3-bromopropan-1-ol,3-bromopropan-1-ol,OCCCBr,OCCCBr,"InChI=1/C3H7BrO/c4-2-1-3-5/h5H,1-3H2",C3H7BrO,,,,,,RQFUZUMFPRMVDX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.991,210-989-2,627-21-4,Pent-2-yne,pent-2-yne,CCC#CC,CCC#CC,"InChI=1/C5H8/c1-3-5-4-2/h3H2,1-2H3",C5H8,,,,,,NKTDTMONXHODTI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.999,210-998-1,627-41-8,3-methoxypropyne,3-methoxyprop-1-yne,COCC#C,COCC#C,"InChI=1/C4H6O/c1-3-4-5-2/h1H,4H2,2H3",C4H6O,,,,,,YACFFSVYSPMSGS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.129,210-041-8,603-45-2,"4-[bis(p-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one","4-[bis(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one",Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3,Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3,"InChI=1/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H",C19H14O3,,,,,,FYEHYMARPSSOBO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.078,207-785-0,494-03-1,Chlornaphazine,"N,N-bis(2-chloroethyl)naphthalen-2-amine",ClCCN(CCCl)c1ccc2ccccc2c1,ClCCN(CCCl)c1ccc2ccccc2c1,"InChI=1/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2",C14H15Cl2N,,,,,,XCDXSSFOJZZGQC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.081,207-788-7,494-40-6,"1,2,4-trimethoxy-5-propenylbenzene","1,2,4-trimethoxy-5-prop-1-en-1-ylbenzene",COc1cc(OC)c(cc1OC)C=CC,COc1cc(OC)c(cc1OC)C=CC,"InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3",C12H16O3,,,,,,RKFAZBXYICVSKP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.082,207-789-2,494-44-0,7-aminonaphthalene-2-sulphonic acid,7-aminonaphthalene-2-sulfonic acid,Nc1ccc2ccc(cc2c1)S(=O)(=O)O,Nc1ccc2ccc(cc2c1)S(=O)(=O)O,"InChI=1/C10H9NO3S/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9/h1-6H,11H2,(H,12,13,14)",C10H9NO3S,,,,,,OKAUOXITMZTUOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.084,207-791-3,494-52-0,Anabasine,3-piperidin-2-ylpyridine,C1CCC(NC1)c2cccnc2,C1CCC(NC1)c2cccnc2,"InChI=1/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",C10H14N2,,,,,,MTXSIJUGVMTTMU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.086,207-793-4,494-79-1,Melarsoprol,"(2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}-1,3,2-dithiarsolan-4-yl)methanol",Nc1nc(N)nc(Nc2ccc(cc2)[As]3SCC(CO)S3)n1,Nc1nc(N)nc(Nc2ccc(cc2)[As]3SCC(CO)S3)n1,"InChI=1/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)",C12H15AsN6OS2,,,,,,JCYZMTMYPZHVBF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.094,207-802-1,495-48-7,Azoxybenzene,(phenyl-NNO-azoxy)benzene,[O-][N+](=Nc1ccccc1)c2ccccc2,[O-][N+](=Nc1ccccc1)c2ccccc2,InChI=1/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H,C12H10N2O,,,,,,GAUZCKBSTZFWCT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.585,209-442-0,579-49-7,4-fluorophenyl 2-thienyl ketone,(4-fluorophenyl)(2-thienyl)methanone,Fc1ccc(cc1)C(=O)c2cccs2,Fc1ccc(cc1)C(=O)c2cccs2,InChI=1/C11H7FOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H,C11H7FOS,,,,,,NLTRJPXIYKYMKT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.587,209-444-1,579-60-2,6-allylguaicol,2-allyl-3-methoxyphenol,COc1cccc(O)c1CC=C,COc1cccc(O)c1CC=C,"InChI=1/C10H12O2/c1-3-5-8-9(11)6-4-7-10(8)12-2/h3-4,6-7,11H,1,5H2,2H3",C10H12O2,,,,,,ZQPSHYPSWNKGNF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.588,209-445-7,579-66-8,"2,6-diethylaniline","2,6-diethylaniline",CCc1cccc(CC)c1N,CCc1cccc(CC)c1N,"InChI=1/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3",C10H15N,,,,,,FOYHNROGBXVLLX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.590,209-447-8,579-75-9,o-anisic acid,2-methoxybenzoic acid,COc1ccccc1C(=O)O,COc1ccccc1C(=O)O,"InChI=1/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O3,,,,,,ILUJQPXNXACGAN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.591,209-448-3,579-94-2,Menglytate,2-isopropyl-5-methylcyclohexyl ethoxyacetate,CCOCC(=O)OC1CC(C)CCC1C(C)C,CCOCC(=O)OC1CC(C)CCC1C(C)C,"InChI=1/C14H26O3/c1-5-16-9-14(15)17-13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3",C14H26O3,,,,,,DXGZIMYAPNIRHS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.596,209-454-6,580-16-5,Quinolin-6-ol,quinolin-6-ol,Oc1ccc2ncccc2c1,Oc1ccc2ncccc2c1,"InChI=1/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6,11H",C9H7NO,,,,,,OVYWMEWYEJLIER-UHFFFAOYSA-N,,,,,,,,,,,
100.008.616,209-476-6,581-97-5,N-2-naphthylacetamide,N-2-naphthylacetamide,CC(=O)Nc1ccc2ccccc2c1,CC(=O)Nc1ccc2ccccc2c1,"InChI=1/C12H11NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,13,14)",C12H11NO,,,,,,DIEOESIZLAHURK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.620,209-480-8,582-24-1,2-hydroxy-1-phenylethan-1-one,2-hydroxy-1-phenylethanone,OCC(=O)c1ccccc1,OCC(=O)c1ccccc1,"InChI=1/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2",C8H8O2,,,,,,ZWVHTXAYIKBMEE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.621,209-481-3,582-25-2,Potassium benzoate,potassium benzoate,[K+].[O-]C(=O)c1ccccc1,[K+].[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",C7H6O2.K,,,,,,XAEFZNCEHLXOMS-UHFFFAOYSA-M,,,,,,,,,,,
100.008.625,209-486-0,582-52-5,"1,2:5,6-di-O-isopropylidene-a-D-glucofuranose","5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol (non-preferred name)",CC1(C)OCC(O1)C2OC3OC(C)(C)OC3C2O,CC1(C)OCC(O1)C2OC3OC(C)(C)OC3C2O,"InChI=1/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3",C12H20O6,,,,,,KEJGAYKWRDILTF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.634,209-496-5,583-06-2,3-benzoylacrylic acid,4-oxo-4-phenylbut-2-enoic acid,OC(=O)\\C=C\\C(=O)c1ccccc1,OC(=O)\C=C\C(=O)c1ccccc1,"InChI=1/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)",C10H8O3,,,,,,PLPDHGOODMBBGN-VOTSOKGWSA-N,,,,,,,,,,,
100.008.637,209-499-1,583-15-3,Mercury dibenzoate,mercury dibenzoate,[Hg+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Hg+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Hg/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Hg,,,,,,FJKFBLLIOVQLFS-UHFFFAOYSA-L,,,,,,,,,,,
100.010.893,211-981-1,729-89-5,Diphenoxyacetic acid,diphenoxyacetic acid,OC(=O)C(Oc1ccccc1)Oc2ccccc2,OC(=O)C(Oc1ccccc1)Oc2ccccc2,"InChI=1/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)",C14H12O4,,,,,,BWRPEDIXOHZKFD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.897,211-985-3,730-68-7,Methitural sodium,-,[Na+].CCCC(C)C1(CCSC)C(=O)NC(=S)NC1=O,[Na+].CCCC(C)C1(CCSC)C(=O)NC(=S)NC1=O,"InChI=1/C12H20N2O2S2.Na/c1-4-5-8(2)12(6-7-18-3)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1",C12H20N2O2S2.Na,,,,,,IPFUISOJBWATGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.567,212-723-0,855-38-9,Tris(4-methoxyphenyl)phosphine,tris(4-methoxyphenyl)phosphine,COc1ccc(cc1)P(c2ccc(OC)cc2)c3ccc(OC)cc3,COc1ccc(cc1)P(c2ccc(OC)cc2)c3ccc(OC)cc3,"InChI=1/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3",C21H21O3P,,,,,,UYUUAUOYLFIRJG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.571,212-727-2,859-65-4,2-(triphenylphosphoranylidene)acetophenone,1-phenyl-2-(triphenylphosphoranylidene)ethanone,O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4,O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H",C26H21OP,,,,,,MZRSAJZDYIISJW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.572,212-728-8,860-22-0,"Disodium 5,5'-(2-(1,3-dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulphonate","disodium 3,3'-dioxo-1,1',3,3'-tetrahydro-2,2'-biindole-5,5'-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2N\\C(=C/3\\Nc4ccc(cc4C3=O)S(=O)(=O)[O-])\\C(=O)c2c1,[Na+].[Na+].[O-]S(=O)(=O)c1ccc2N\C(=C/3\Nc4ccc(cc4C3=O)S(=O)(=O)[O-])\C(=O)c2c1,"InChI=1/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C16H10N2O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17362,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.572,KHLVKKOJDHCJMG-QDBORUFSSA-L,,,,,,,,,,,
100.011.574,212-730-9,863-57-0,"Sodium N-(3-a,7-a,12-a-trihydroxy-24-oxocholan-24-yl)glycinate","sodium [(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]acetate",[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1",C26H43NO6.Na,,,,,,OABYVIYXWMZFFJ-IPBWKMHYSA-M,,,,,,,,,,,
100.011.578,212-735-6,865-31-6,Aluminium methanolate,aluminum trimethanolate,[Al+3].C[O-].C[O-].C[O-],[Al+3].C[O-].C[O-].C[O-],InChI=1/3CH3O.Al/c3*1-2;/h3*1H3;/q3*-1;+3,CH4O.1/3Al,,,,,,UAEJRRZPRZCUBE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.579,212-736-1,865-33-8,Potassium methanolate,potassium methanolate,[K+].C[O-],[K+].C[O-],InChI=1/CH3O.K/c1-2;/h1H3;/q-1;+1,CH4O.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13210,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.579,BDAWXSQJJCIFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.597,212-756-0,866-97-7,Tetrapentylammonium bromide,"N,N,N-tripentylpentan-1-aminium bromide",[Br-].CCCCC[N+](CCCCC)(CCCCC)CCCCC,[Br-].CCCCC[N+](CCCCC)(CCCCC)CCCCC,"InChI=1/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1",C20H44N.Br,,,,,,SPALIFXDWQTXKS-UHFFFAOYSA-M,,,,,,,,,,,
100.011.600,212-759-7,867-44-7,Bis(2-methylisothiouronium) sulphate,bis[amino(methylsulfanyl)methaniminium] sulfate,CSC(=[NH2+])N.CSC(=[NH2+])N.[O-]S(=O)(=O)[O-],CSC(=[NH2+])N.CSC(=[NH2+])N.[O-]S(=O)(=O)[O-],"InChI=1/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)",C2H6N2S.1/2H2O4S,,,,,,BZZXQZOBAUXLHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.604,212-763-9,867-62-9,Didysprosium trioxalate,didysprosium trioxalate,[Dy+3].[Dy+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Dy+3].[Dy+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Dy/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C6Dy2O12,,,,,,KACTUDRDWYCYMT-UHFFFAOYSA-H,,,,,,,,,,,
100.011.607,212-767-0,867-68-5,Diyttrium trioxalate,diyttrium trioxalate,[Y+3].[Y+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Y+3].[Y+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Y/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C6O12Y2,,,,,,IBSDADOZMZEYKD-UHFFFAOYSA-H,,,,,,,,,,,
100.011.613,212-773-3,868-18-8,Disodium tartrate,disodium tartarate,[Na+].[Na+].OC(C(O)C(=O)[O-])C(=O)[O-],[Na+].[Na+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C4H6O6.2Na,,,,,,HELHAJAZNSDZJO-UHFFFAOYSA-L,,,,,,,,,,,
100.011.615,212-775-4,868-26-8,Dimethyl bromomalonate,dimethyl bromomalonate,COC(=O)C(Br)C(=O)OC,COC(=O)C(Br)C(=O)OC,"InChI=1/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3",C5H7BrO4,,,,,,NEMOJKROKMMQBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.617,212-778-0,868-57-5,Methyl 2-methylbutyrate,methyl 2-methylbutanoate,CCC(C)C(=O)OC,CCC(C)C(=O)OC,"InChI=1/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3",C6H12O2,,,,,,OCWLYWIFNDCWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.480,212-627-9,832-97-3,(±)-a-hydroxy-1H-indole-3-propionic acid,2-hydroxy-3-(1H-indol-3-yl)propanoic acid,OC(Cc1c[nH]c2ccccc12)C(=O)O,OC(Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)",C11H11NO3,,,,,,XGILAAMKEQUXLS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.753,208-526-4,532-08-1,4-allyl-2-methoxyphenyl cinnamate,4-allyl-2-methoxyphenyl 3-phenylacrylate,COc1cc(CC=C)ccc1OC(=O)\\C=C\\c2ccccc2,COc1cc(CC=C)ccc1OC(=O)\C=C\c2ccccc2,"InChI=1/C19H18O3/c1-3-7-16-10-12-17(18(14-16)21-2)22-19(20)13-11-15-8-5-4-6-9-15/h3-6,8-14H,1,7H2,2H3",C19H18O3,,,,,,SJKFNIODBSUYID-ACCUITESSA-N,,,,,,,,,,,
100.007.755,208-529-0,532-18-3,Di-2-naphthylamine,N-2-naphthylnaphthalen-2-amine,N(c1ccc2ccccc2c1)c3ccc4ccccc4c3,N(c1ccc2ccccc2c1)c3ccc4ccccc4c3,"InChI=1/C20H15N/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21H",C20H15N,,,,,,SBMXAWJSNIAHFR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.757,208-531-1,532-27-4,2-chloroacetophenone,2-chloro-1-phenylethanone,ClCC(=O)c1ccccc1,ClCC(=O)c1ccccc1,"InChI=1/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2",C8H7ClO,,,,,,IMACFCSSMIZSPP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.763,208-537-4,532-43-4,Thiamine nitrate,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate",Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[O-][N+](=O)[O-],Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[O-][N+](=O)[O-],"InChI=1/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1",C12H17N4OS.NO3,,,,,,UIERGBJEBXXIGO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.765,208-540-0,532-55-8,Benzoyl isothiocyanate,benzoyl isothiocyanate,O=C(N=C=S)c1ccccc1,O=C(N=C=S)c1ccccc1,InChI=1/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H,C8H5NOS,,,,,,CPEKAXYCDKETEN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.781,208-557-3,533-22-2,"2-hydroxyethanesulphonic acid, compound with 4-[2-(4-amidinophenyl)vinyl]-3-hydroxybenzenecarboxamidine (2:1)",2-hydroxyethanesulfonic acid - 4-[2-(4-carbamimidoylphenyl)vinyl]-3-hydroxybenzenecarboximidamide (1:1),NC(=N)c1ccc(C=Cc2ccc(cc2O)C(=N)N)cc1.OCCS(=O)(=O)O,NC(=N)c1ccc(C=Cc2ccc(cc2O)C(=N)N)cc1.OCCS(=O)(=O)O,"InChI=1/C16H16N4O.C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;3-1-2-7(4,5)6/h1-9,21H,(H3,17,18)(H3,19,20);3H,1-2H2,(H,4,5,6)",C16H16N4O.2C2H6O4S,,,,,,HPLUMRXCPMTSQW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.783,208-559-4,533-30-2,Benzothiazol-6-amine,"1,3-benzothiazol-6-amine",Nc1ccc2ncsc2c1,Nc1ccc2ncsc2c1,"InChI=1/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2",C7H6N2S,,,,,,FAYAYUOZWYJNBD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.785,208-562-0,533-32-4,"N,N-diethylisovaleramide","N,N-diethyl-3-methylbutanamide",CCN(CC)C(=O)CC(C)C,CCN(CC)C(=O)CC(C)C,"InChI=1/C9H19NO/c1-5-10(6-2)9(11)7-8(3)4/h8H,5-7H2,1-4H3",C9H19NO,,,,,,QZMQDHNCNUGQSO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.804,208-583-5,534-00-9,(S)-1-bromo-2-methylbutane,1-bromo-2-methylbutane,CC[C@H](C)CBr,CC[C@H](C)CBr,"InChI=1/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3",C5H11Br,,,,,,XKVLZBNEPALHIO-YFKPBYRVSA-N,,,,,,,,,,,
100.007.727,208-498-3,530-93-8,"1,2,3,4-tetrahydronaphthalen-2-one","3,4-dihydronaphthalen-2(1H)-one",O=C1CCc2ccccc2C1,O=C1CCc2ccccc2C1,"InChI=1/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2",C10H10O,,,,,,KCKZIWSINLBROE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.728,208-499-9,530-97-2,"Cycloheptane-1,2-dione dioxime","cycloheptane-1,2-dione dioxime",ON=C1CCCCCC1=NO,ON=C1CCCCCC1=NO,"InChI=1/C7H12N2O2/c10-8-6-4-2-1-3-5-7(6)9-11/h10-11H,1-5H2",C7H12N2O2,,,,,,LJIRXNPXTVQOEU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.729,208-500-2,531-02-2,"[1,1'-biphenyl]-3,3',5,5'-tetraol","biphenyl-3,3',5,5'-tetrol",Oc1cc(O)cc(c1)c2cc(O)cc(O)c2,Oc1cc(O)cc(c1)c2cc(O)cc(O)c2,"InChI=1/C12H10O4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6,13-16H",C12H10O4,,,,,,VZLUGGCFYPMLMI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.733,208-504-4,531-26-0,4-allyl-2-methoxyphenyl benzoate,4-allyl-2-methoxyphenyl benzoate,COc1cc(CC=C)ccc1OC(=O)c2ccccc2,COc1cc(CC=C)ccc1OC(=O)c2ccccc2,"InChI=1/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-6,8-12H,1,7H2,2H3",C17H16O3,,,,,,ZOGNBLKDKPCKGB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.734,208-506-5,531-35-1,ß-pilocarpine,3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one,CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O,CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O,"InChI=1/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3",C11H16N2O2,,,,,,QCHFTSOMWOSFHM-WCBMZHEXSA-N,,,,,,,,,,,
100.007.744,208-517-5,531-75-9,Aesculin,7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2",C15H16O9,,,,,,XHCADAYNFIFUHF-TVKJYDDYSA-N,,,,,,,,,,,
100.007.748,208-521-7,531-91-9,"N,N'-diphenylbenzidine","N,N'-diphenylbiphenyl-4,4'-diamine",N(c1ccccc1)c2ccc(cc2)c3ccc(Nc4ccccc4)cc3,N(c1ccccc1)c2ccc(cc2)c3ccc(Nc4ccccc4)cc3,"InChI=1/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H",C24H20N2,,,,,,FDRNXKXKFNHNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.131,210-043-9,603-48-5,"N,N,N',N',N'',N''-hexamethyl-4,4',4''-methylidynetrianiline","4,4',4''-methanetriyltris(N,N-dimethylaniline)",CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,"InChI=1/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3",C25H31N3,,,,,,OAZWDJGLIYNYMU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.367,208-102-9,509-67-1,Pholcodine,"17-methyl-3-(2-morpholin-4-ylethoxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol",CN1CC[C@]23[C@H]4Oc5c(OCCN6CCOCC6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,CN1CC[C@]23[C@H]4Oc5c(OCCN6CCOCC6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,"InChI=1/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3",C23H30N2O4,,,,,,GPFAJKDEDBRFOS-FKQDBXSBSA-N,,,,,,,,,,,
100.007.370,208-106-0,509-80-8,Methyl 19a-methyl-2-oxoformosanan-16-carboxylate,methyl 19-methyl-2-oxoformosanan-16-carboxylate,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C3C[C@H]12)C(=O)Nc5ccccc45,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C3C[C@H]12)C(=O)Nc5ccccc45,"InChI=1/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)",C21H24N2O4,,,,,,JMIAZDVHNCCPDM-WQKOYRDNSA-N,,,,,,,,,,,
100.007.381,208-118-6,511-01-3,"(3ß,21a)-8,14-secogammacera-8(26),14(27)-diene-3,21-diol","5,5'-ethane-1,2-diylbis(1,1,4a-trimethyl-6-methylenedecahydronaphthalen-2-ol)",CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12,CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12,"InChI=1/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3",C30H50O2,,,,,,GESZMTVZGWZBPW-IHIDZKKCSA-N,,,,,,,,,,,
100.007.393,208-131-7,511-67-1,"5,5-dibromobarbituric acid","5,5-dibromopyrimidine-2,4,6(1H,3H,5H)-trione",BrC1(Br)C(=O)NC(=O)NC1=O,BrC1(Br)C(=O)NC(=O)NC1=O,"InChI=1/C4H2Br2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h(H2,7,8,9,10,11)",C4H2Br2N2O3,,,,,,AMATXUCYHHHHHB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.396,208-134-3,512-04-9,"(20R,25R)-spirost-5-en-3ß-ol",spirost-5-en-3-ol,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@H]2C,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@H]2C,"InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3",C27H42O3,,,,,,WQLVFSAGQJTQCK-FIBXIUFESA-N,,,,,,,,,,,
100.007.397,208-135-9,512-13-0,"(1S-endo)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol","1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol",C[C@]12CCC(C1)C(C)(C)C2O,C[C@]12CCC(C1)C(C)(C)C2O,"InChI=1/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,IAIHUHQCLTYTSF-KTOWXAHTSA-N,,,,,,,,,,,
100.007.400,208-139-0,512-24-3,"Cerium(3+) 2-hydroxypropane-1,2,3-tricarboxylate",cerium(3+) citrate,[Ce+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ce+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Ce/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",C6H8O7.Ce,,,,,,DLNAGPYXDXKSDK-UHFFFAOYSA-K,,,,,,,,,,,
100.007.404,208-143-2,512-48-1,Valdetamide,"2,2-diethylpent-4-enamide",CCC(CC)(CC=C)C(=O)N,CCC(CC)(CC=C)C(=O)N,"InChI=1/C9H17NO/c1-4-7-9(5-2,6-3)8(10)11/h4H,1,5-7H2,2-3H3,(H2,10,11)",C9H17NO,,,,,,LOMDVEFCNVDZMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.211,209-031-6,553-06-0,"N-(1,2-diphenylethyl)nicotinamide","N-(1,2-diphenylethyl)nicotinamide",O=C(NC(Cc1ccccc1)c2ccccc2)c3cccnc3,O=C(NC(Cc1ccccc1)c2ccccc2)c3cccnc3,"InChI=1/C20H18N2O/c23-20(18-12-7-13-21-15-18)22-19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-13,15,19H,14H2,(H,22,23)",C20H18N2O,,,,,,DWODOIKZDGJOPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.214,209-034-2,553-17-3,Bis(2-methoxyphenyl) carbonate,bis(2-methoxyphenyl) carbonate,COc1ccccc1OC(=O)Oc2ccccc2OC,COc1ccccc1OC(=O)Oc2ccccc2OC,"InChI=1/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3",C15H14O5,,,,,,ORUJFMPWKPVXLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.216,209-036-3,553-26-4,"4,4'-bipyridyl","4,4'-bipyridine",c1cc(ccn1)c2ccncc2,c1cc(ccn1)c2ccncc2,InChI=1/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H,C10H8N2,,,,,,MWVTWFVJZLCBMC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.219,209-040-5,553-45-7,"1,2-bis(2-methoxyphenoxy)ethane","1,1'-[ethane-1,2-diylbis(oxy)]bis(2-methoxybenzene)",COc1ccccc1OCCOc2ccccc2OC,COc1ccccc1OCCOc2ccccc2OC,"InChI=1/C16H18O4/c1-17-13-7-3-5-9-15(13)19-11-12-20-16-10-6-4-8-14(16)18-2/h3-10H,11-12H2,1-2H3",C16H18O4,,,,,,BHUCDPRGDNRQQO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.225,209-046-8,553-71-9,Nickel dibenzoate,nickel(2+) dibenzoate,[Ni+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Ni+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Ni/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Ni,,,,,,GAIQJSWQJOZOMI-UHFFFAOYSA-L,,,,,,,,,,,
100.008.231,209-053-6,553-90-2,Dimethyl oxalate,dimethyl oxalate,COC(=O)C(=O)OC,COC(=O)C(=O)OC,InChI=1/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3,C4H6O4,,,,,,LOMVENUNSWAXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.762,208-536-9,532-40-1,Monophosphothiamine,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride",[Cl-].Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1,[Cl-].Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1,"InChI=1/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H",C12H18N4O4PS.Cl,,,,,,GUGWNSHJDUEHNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.764,208-539-5,532-54-7,2-hydroxyiminoacetophenone,oxo(phenyl)acetaldehyde oxime,O=C(C=NO)c1ccccc1,O=C(C=NO)c1ccccc1,"InChI=1/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H",C8H7NO2,,,,,,MLNKXLRYCLKJSS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.767,208-542-1,532-62-7,"3-(dimethylamino)-1,2-dimethylpropyl p-aminobenzoate monohydrochloride","3-(dimethylamino)-1,2-dimethylpropyl 4-aminobenzoate hydrochloride",Cl.CC(CN(C)C)C(C)OC(=O)c1ccc(N)cc1,Cl.CC(CN(C)C)C(C)OC(=O)c1ccc(N)cc1,"InChI=1/C14H22N2O2.ClH/c1-10(9-16(3)4)11(2)18-14(17)12-5-7-13(15)8-6-12;/h5-8,10-11H,9,15H2,1-4H3;1H",C14H22N2O2.ClH,,,,,,ZGKJESGFAPAQKB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.768,208-543-7,532-64-9,"2-methyl-6-(4-methyl-3-cyclohexen-1-yl)hepta-2,5-dien-4-one","2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,5-dien-4-one",C\\C1=C\\CC(CC1)C(C)=CC(=O)/C=C(\\C)C,C\C1=C\CC(CC1)C(C)=CC(=O)/C=C(\C)C,"InChI=1/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3",C15H22O,,,,,,OJEFBZMKKJTKKK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.773,208-548-4,532-94-5,Sodium hippurate,sodium (benzoylamino)acetate,[Na+].[O-]C(=O)CNC(=O)c1ccccc1,[Na+].[O-]C(=O)CNC(=O)c1ccccc1,"InChI=1/C9H9NO3.Na/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);/q;+1/p-1",C9H9NO3.Na,,,,,,ZBCAZEFVTIBZJS-UHFFFAOYSA-M,,,,,,,,,,,
100.007.778,208-554-7,533-15-3,1-methylpiperidine-2-ethanol,2-(1-methylpiperidin-2-yl)ethanol,CN1CCCCC1CCO,CN1CCCCC1CCO,"InChI=1/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3",C8H17NO,,,,,,OVMRRCXDBKEQIU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.786,208-563-6,533-35-7,"6,7-dihydro-5H-2-pyrindine","6,7-dihydro-5H-cyclopenta[c]pyridine",C1Cc2ccncc2C1,C1Cc2ccncc2C1,"InChI=1/C8H9N/c1-2-7-4-5-9-6-8(7)3-1/h4-6H,1-3H2",C8H9N,,,,,,RGBSGRUHELUMOF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.787,208-564-1,533-37-9,"6,7-dihydro-5H-cyclopenta(b)pyridine","6,7-dihydro-5H-cyclopenta[b]pyridine",C1Cc2cccnc2C1,C1Cc2cccnc2C1,"InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2",C8H9N,,,,,,KRNSYSYRLQDHDK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.790,208-567-8,533-49-3,L-(+)-erythrose,"2,3,4-trihydroxybutanal",OC[C@@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@@H](O)C=O,"InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2",C4H8O4,,,,,,YTBSYETUWUMLBZ-IUYQGCFVSA-N,,,,,,,,,,,
100.007.795,208-573-0,533-67-5,2-deoxy-D-ribose,2-deoxy-D-erythro-pentose,OC[C@@H](O)[C@@H](O)CC=O,OC[C@@H](O)[C@@H](O)CC=O,"InChI=1/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2",C5H10O4,,,,,,ASJSAQIRZKANQN-CRCLSJGQSA-N,,,,,,,,,,,
100.007.796,208-574-6,533-68-6,Ethyl 2-bromobutyrate,ethyl 2-bromobutanoate,CCOC(=O)C(Br)CC,CCOC(=O)C(Br)CC,"InChI=1/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3",C6H11BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5938,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.796,XIMFCGSNSKXPBO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.798,208-576-7,533-74-4,Dazomet,"3,5-dimethyl-1,3,5-thiadiazinane-2-thione",CN1CSC(=S)N(C)C1,CN1CSC(=S)N(C)C1,"InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3",C5H10N2S2,,,,,,QAYICIQNSGETAS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.799,208-577-2,533-75-5,"2-hydroxycyclohepta-2,4,6-trienone","2-hydroxycyclohepta-2,4,6-trien-1-one",OC1=CC=CC=CC1=O,OC1=CC=CC=CC1=O,"InChI=1/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)",C7H6O2,,,,,,MDYOLVRUBBJPFM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.805,208-584-0,534-03-2,"2-aminopropane-1,3-diol","2-aminopropane-1,3-diol",NC(CO)CO,NC(CO)CO,"InChI=1/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2",C3H9NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10161,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.805,KJJPLEZQSCZCKE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.730,208-501-8,531-12-4,"18-carboxy-8,13-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid","18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethylporphine-2-carboxylic acid",CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4C(=O)O)C)C(=C3C)CCC(=O)O,CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4C(=O)O)C)C(=C3C)CCC(=O)O,"InChI=1/C32H32N4O4/c1-7-19-15(3)22-11-23-17(5)21(9-10-30(37)38)28(35-23)14-29-31(32(39)40)18(6)25(36-29)13-27-20(8-2)16(4)24(34-27)12-26(19)33-22/h11-14H,7-10H2,1-6H3,(H,37,38)(H,39,40)",C32H34N4O4,,,,,,WEBXLTRVGVQZQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.732,208-503-9,531-18-0,"1,3,5-triazine-2,4,6-triyltrinitrilohexamethanol","(1,3,5-triazine-2,4,6-triyltrinitrilo)hexamethanol",OCN(CO)c1nc(nc(n1)N(CO)CO)N(CO)CO,OCN(CO)c1nc(nc(n1)N(CO)CO)N(CO)CO,"InChI=1/C9H18N6O6/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21/h16-21H,1-6H2",C9H18N6O6,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1486,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.732,YGCOKJWKWLYHTG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.738,208-510-7,531-53-3,3-amino-7-dimethylaminophenothiazin-5-ium chloride,3-amino-7-(dimethylamino)phenothiazin-5-ium chloride,[Cl-].CN(C)c1ccc2nc3ccc(N)cc3[s+]c2c1,[Cl-].CN(C)c1ccc2nc3ccc(N)cc3[s+]c2c1,"InChI=1/C14H14N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8H,15H2,1-2H3;1H/q+1;/p-1",C14H14N3S.Cl,,,,,,PGWTYMLATMNCCZ-UHFFFAOYSA-M,,,,,,,,,,,
100.011.482,212-630-5,833-48-7,"10,11-dihydro-5H-dibenzo[a,d]cycloheptene","10,11-dihydro-5H-dibenzo[a,d][7]annulene",C1Cc2ccccc2Cc3ccccc13,C1Cc2ccccc2Cc3ccccc13,"InChI=1/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2",C15H14,,,,,,PJQCANLCUDUPRF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.484,212-632-6,833-85-2,4-p-toluoylbutyric acid,5-(4-methylphenyl)-5-oxopentanoic acid,Cc1ccc(cc1)C(=O)CCCC(=O)O,Cc1ccc(cc1)C(=O)CCCC(=O)O,"InChI=1/C12H14O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)",C12H14O3,,,,,,MCWLCBLXRSXGTF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.497,212-646-2,836-30-6,4-nitro-N-phenylaniline,4-nitro-N-phenylaniline,[O-][N+](=O)c1ccc(Nc2ccccc2)cc1,[O-][N+](=O)c1ccc(Nc2ccccc2)cc1,"InChI=1/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H",C12H10N2O2,,,,,,XXYMSQQCBUKFHE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.498,212-647-8,836-41-9,N-(4-methoxybenzylidene)aniline,N-(4-methoxybenzylidene)aniline,COc2ccc(C=Nc1ccccc1)cc2,COc2ccc(C=Nc1ccccc1)cc2,"InChI=1/C14H13NO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-11H,1H3",C14H13NO,,,,,,MSWPGMRTURVKRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.499,212-648-3,836-42-0,3-benzyloxybenzyl alcohol,[3-(benzyloxy)phenyl]methanol,OCc1cccc(OCc2ccccc2)c1,OCc1cccc(OCc2ccccc2)c1,"InChI=1/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2",C14H13ClO,,,,,,AFKLSWIRJUJWKY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.500,213-750-0,1007-15-4,1-(3-bromo-4-fluorophenyl)ethan-1-one,1-(3-bromo-4-fluorophenyl)ethanone,CC(=O)c1ccc(F)c(Br)c1,CC(=O)c1ccc(F)c(Br)c1,"InChI=1/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3",C8H6BrFO,,,,,,SZDWTGAORQQQGY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.501,213-751-6,1007-16-5,3-bromo-4-fluorobenzoic acid,3-bromo-4-fluorobenzoic acid,OC(=O)c1ccc(F)c(Br)c1,OC(=O)c1ccc(F)c(Br)c1,"InChI=1/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)",C7H4BrFO2,,,,,,ONELILMJNOWXSA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.505,213-755-8,1007-48-3,Pyridine-4-methyl acetate,pyridin-4-ylmethyl acetate,CC(=O)OCc1ccncc1,CC(=O)OCc1ccncc1,"InChI=1/C8H9NO2/c1-7(10)11-6-8-2-4-9-5-3-8/h2-5H,6H2,1H3",C8H9NO2,,,,,,ZGXKOLGDFWQRMM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.506,213-756-3,1007-49-4,Pyridine-2-methyl acetate,pyridin-2-ylmethyl acetate,CC(=O)OCc1ccccn1,CC(=O)OCc1ccccn1,"InChI=1/C8H9NO2/c1-7(10)11-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3",C8H9NO2,,,,,,KEYZUMLVDCHSTP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.509,213-760-5,1008-73-7,Dihydro-4-phenylfuran-2(3H)-one,4-phenyldihydrofuran-2(3H)-one,O=C1CC(CO1)c2ccccc2,O=C1CC(CO1)c2ccccc2,"InChI=1/C10H10O2/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2",C10H10O2,,,,,,YFNSPPHTAARSPD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.511,213-762-6,1008-88-4,3-phenylpyridine,3-phenylpyridine,c1ccc(cc1)c2cccnc2,c1ccc(cc1)c2cccnc2,InChI=1/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H,C11H9N,,,,,,HJKGBRPNSJADMB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.512,213-763-1,1008-89-5,2-phenylpyridine,2-phenylpyridine,c1ccc(cc1)c2ccccn2,c1ccc(cc1)c2ccccn2,InChI=1/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H,C11H9N,,,,,,VQGHOUODWALEFC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.513,213-764-7,1008-91-9,1-(4-pyridyl)piperazine,1-pyridin-4-ylpiperazine,C1CN(CCN1)c2ccncc2,C1CN(CCN1)c2ccncc2,"InChI=1/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2",C9H13N3,,,,,,OQZBAQXTXNIPRA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.523,213-775-7,1010-59-9,"3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt",-,[Na+].CN1C(=O)NC(=O)c2c1ncn2C,[Na+].CN1C(=O)NC(=O)c2c1ncn2C,"InChI=1/C7H8N4O2.Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);/q;+1",C7H8N4O2.Na,,,,,,OZHPKSFNBCNLER-UHFFFAOYSA-N,,,,,,,,,,,
100.012.529,213-782-5,1011-17-2,o-(1-piperazinyl)phenol,2-piperazin-1-ylphenol,Oc1ccccc1N2CCNCC2,Oc1ccccc1N2CCNCC2,"InChI=1/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2",C10H14N2O,,,,,,UORNTHBBLYBAJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.313,213-544-0,972-19-0,1-benzyl-4-(p-toluidino)piperidine-4-carbonitrile,1-benzyl-4-[(4-methylphenyl)amino]piperidine-4-carbonitrile,Cc1ccc(NC2(CCN(Cc3ccccc3)CC2)C#N)cc1,Cc1ccc(NC2(CCN(Cc3ccccc3)CC2)C#N)cc1,"InChI=1/C20H23N3/c1-17-7-9-19(10-8-17)22-20(16-21)11-13-23(14-12-20)15-18-5-3-2-4-6-18/h2-10,22H,11-15H2,1H3",C20H23N3,,,,,,OIDUIUJRLUPBPH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.316,213-547-7,973-99-9,N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)but-1-en-1-yl]formamide monohydrochloride,N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldisulfanyl)but-1-en-1-yl]formamide hydrochloride,Cl.Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC,Cl.Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC,"InChI=1/C15H24N4O2S2.ClH/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16;/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18);1H",C15H24N4O2S2.ClH,,,,,,DURRYBGTQKKQBR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.756,209-630-2,589-02-6,Potassium 4-[[4-[benzylamino]phenyl]azo]benzenesulphonate,potassium 4-{[4-(benzylamino)phenyl]diazenyl}benzenesulfonate,[K+].[O-]S(=O)(=O)c3ccc(N=Nc2ccc(NCc1ccccc1)cc2)cc3,[K+].[O-]S(=O)(=O)c3ccc(N=Nc2ccc(NCc1ccccc1)cc2)cc3,"InChI=1/C19H17N3O3S.K/c23-26(24,25)19-12-10-18(11-13-19)22-21-17-8-6-16(7-9-17)20-14-15-4-2-1-3-5-15;/h1-13,20H,14H2,(H,23,24,25);/q;+1/p-1",C19H17N3O3S.K,,,,,,HHGSSTKRFXJDCV-UHFFFAOYSA-M,,,,,,,,,,,
100.008.757,209-631-8,589-06-0,4-(p-fluorophenyl)butyric acid,4-(4-fluorophenyl)butanoic acid,OC(=O)CCCc1ccc(F)cc1,OC(=O)CCCc1ccc(F)cc1,"InChI=1/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)",C10H11FO2,,,,,,XVQYBBYOYJXQBF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.758,209-632-3,589-08-2,N-methylphenethylamine,N-methyl-2-phenylethanamine,CNCCc1ccccc1,CNCCc1ccccc1,"InChI=1/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3",C9H13N,,,,,,SASNBVQSOZSTPD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.761,209-636-5,589-15-1,"a,4-dibromotoluene",1-bromo-4-(bromomethyl)benzene,BrCc1ccc(Br)cc1,BrCc1ccc(Br)cc1,"InChI=1/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",C7H6Br2,,,,,,YLRBJYMANQKEAW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.768,209-643-3,589-34-4,3-methylhexane,3-methylhexane,CCCC(C)CC,CCCC(C)CC,"InChI=1/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3",C7H16,,,,,,VLJXXKKOSFGPHI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.772,209-648-0,589-41-3,Ethyl hydroxycarbamate,ethyl hydroxycarbamate,CCOC(=O)NO,CCOC(=O)NO,"InChI=1/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)",C3H7NO3,,,,,,VGEWEGHHYWGXGG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.774,209-650-1,589-53-7,4-methylheptane,4-methylheptane,CCCC(C)CCC,CCCC(C)CCC,"InChI=1/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3",C8H18,,,,,,CHBAWFGIXDBEBT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.100,207-808-4,495-76-1,Piperonyl alcohol,"1,3-benzodioxol-5-ylmethanol",OCc1ccc2OCOc2c1,OCc1ccc2OCOc2c1,"InChI=1/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2",C8H8O3,,,,,,BHUIUXNAPJIDOG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.101,207-810-5,495-83-0,Tigloidine,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 2-methylbut-2-enoate,CN2[C@@H]1CC[C@H]2C[C@@H](C1)OC(=O)C(C)=CC,CN2[C@@H]1CC[C@H]2C[C@@H](C1)OC(=O)C(C)=CC,"InChI=1/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3",C13H21NO2,,,,,,UVHGSMZRSVGWDJ-ZSBIGDGJSA-N,,,,,,,,,,,
100.007.103,207-812-6,496-03-7,2-ethyl-3-hydroxyhexanal,2-ethyl-3-hydroxyhexanal,CCCC(O)C(CC)C=O,CCCC(O)C(CC)C=O,"InChI=1/C8H16O2/c1-3-5-8(10)7(4-2)6-9/h6-8,10H,3-5H2,1-2H3",C8H16O2,,,,,,FMBAIQMSJGQWLF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.104,207-813-1,496-10-6,Hexahydroindan,octahydro-1H-indene,C1CCC2CCCC2C1,C1CCC2CCCC2C1,"InChI=1/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2",C9H16,,,,,,BNRNAKTVFSZAFA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.105,207-814-7,496-11-7,Indan,indane,C1Cc2ccccc2C1,C1Cc2ccccc2C1,"InChI=1/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2",C9H10,,,,,,PQNFLJBBNBOBRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.108,207-817-3,496-16-2,"2,3-dihydrobenzofuran","2,3-dihydro-1-benzofuran",C1Cc2ccccc2O1,C1Cc2ccccc2O1,"InChI=1/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",C8H8O,,,,,,HBEDSQVIWPRPAY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.111,207-821-5,496-46-8,"Perhydroimidazo[4,5-d]imidazole-2,5-dione","tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",O=C1NC2NC(=O)NC2N1,O=C1NC2NC(=O)NC2N1,"InChI=1/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)",C4H6N4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18710,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.111,VPVSTMAPERLKKM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.117,207-827-8,496-73-1,4-methylresorcinol,"4-methylbenzene-1,3-diol",Cc1ccc(O)cc1O,Cc1ccc(O)cc1O,"InChI=1/C7H8O2/c1-5-2-3-6(8)4-7(5)9/h2-4,8-9H,1H3",C7H8O2,,,,,,FNYDIAAMUCQQDE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.118,207-828-3,496-74-2,"Toluene-3,4-dithiol","4-methylbenzene-1,2-dithiol",Cc1ccc(S)c(S)c1,Cc1ccc(S)c(S)c1,"InChI=1/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3",C7H8S2,,,,,,NIAAGQAEVGMHPM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.121,207-832-5,496-78-6,"2,4,5-trimethylphenol","2,4,5-trimethylphenol",Cc1cc(C)c(O)cc1C,Cc1cc(C)c(O)cc1C,"InChI=1/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3",C9H12O,,,,,,VXSCPERJHPWROZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.136,207-848-2,497-59-6,"3-hydroxy-4-oxopyran-2,6-dicarboxylic acid","3-hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid",OC(=O)C1=CC(=O)C(=C(O1)C(=O)O)O,OC(=O)C1=CC(=O)C(=C(O1)C(=O)O)O,"InChI=1/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)",C7H4O7,,,,,,ZEGRKMXCOCRTCS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.143,207-856-6,498-15-7,"(1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene","3,7,7-trimethylbicyclo[4.1.0]hept-3-ene",CC1=CCC2[C@H](C1)C2(C)C,CC1=CCC2[C@H](C1)C2(C)C,"InChI=1/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16,,,,,,BQOFWKZOCNGFEC-GKAPJAKFSA-N,,,,,,,,,,,
100.008.232,209-054-1,553-91-3,Dilithium oxalate,dilithium oxalate,[Li+].[Li+].[O-]C(=O)C(=O)[O-],[Li+].[Li+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.2Li/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",C2H2O4.2Li,,,,,,YNQRWVCLAIUHHI-UHFFFAOYSA-L,,,,,,,,,,,
100.008.241,209-064-6,554-18-7,Glucosulfone,"1,1'-[sulfonylbis(4,1-phenyleneimino)]bis(2,3,4,5,6-pentahydroxyhexane-1-sulfonic acid) (non-preferred name)",OCC(O)C(O)C(O)C(O)C(Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(C(O)C(O)C(O)C(O)CO)S(=O)(=O)O)cc2)S(=O)(=O)O,OCC(O)C(O)C(O)C(O)C(Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(C(O)C(O)C(O)C(O)CO)S(=O)(=O)O)cc2)S(=O)(=O)O,"InChI=1/C24H36N2O18S3/c27-9-15(29)17(31)19(33)21(35)23(46(39,40)41)25-11-1-5-13(6-2-11)45(37,38)14-7-3-12(4-8-14)26-24(47(42,43)44)22(36)20(34)18(32)16(30)10-28/h1-8,15-36H,9-10H2,(H,39,40,41)(H,42,43,44)",C24H36N2O18S3.2Na,,,,,,SQQCWHCJRWYRLB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.242,209-065-1,554-24-5,Phenobutiodil,"2-(2,4,6-triiodophenoxy)butanoic acid",CCC(Oc1c(I)cc(I)cc1I)C(=O)O,CCC(Oc1c(I)cc(I)cc1I)C(=O)O,"InChI=1/C10H9I3O3/c1-2-8(10(14)15)16-9-6(12)3-5(11)4-7(9)13/h3-4,8H,2H2,1H3,(H,14,15)",C10H9I3O3,,,,,,VYAGDYWTCWDKIS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.244,209-067-2,554-68-7,Triethylammonium chloride,"N,N-diethylethanaminium chloride",[Cl-].CC[NH+](CC)CC,[Cl-].CC[NH+](CC)CC,"InChI=1/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H",C6H15N.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18983,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.244,ILWRPSCZWQJDMK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.245,209-068-8,554-70-1,Triethylphosphine,triethylphosphine,CCP(CC)CC,CCP(CC)CC,"InChI=1/C6H15P/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15P,,,,,,RXJKFRMDXUJTEX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.246,209-069-3,554-71-2,"4-hydroxy-3,5-diiodobenzenesulphonic acid","4-hydroxy-3,5-diiodobenzenesulfonic acid",Oc1c(I)cc(cc1I)S(=O)(=O)O,Oc1c(I)cc(cc1I)S(=O)(=O)O,"InChI=1/C6H4I2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)",C6H4I2O4S,,,,,,WUFWNWSUSBGBSH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.251,209-075-6,554-92-7,Trimethobenzamide hydrochloride,"N-{4-[2-(dimethylamino)ethoxy]benzyl}-3,4,5-trimethoxybenzamide hydrochloride",Cl.COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,Cl.COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,"InChI=1/C21H28N2O5.ClH/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4;/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24);1H",C21H28N2O5.ClH,,,,,,WIIZEEPFHXAUND-UHFFFAOYSA-N,,,,,,,,,,,
100.008.255,209-079-8,555-03-3,3-nitroanisole,1-methoxy-3-nitrobenzene,COc1cccc(c1)[N+](=O)[O-],COc1cccc(c1)[N+](=O)[O-],"InChI=1/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3",C7H7NO3,,,,,,WGYFINWERLNPHR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.576,207-232-3,454-95-5,3-(fluorosulphonyl)benzoic acid,3-(fluorosulfonyl)benzoic acid,OC(=O)c1cccc(c1)S(=O)(=O)F,OC(=O)c1cccc(c1)S(=O)(=O)F,"InChI=1/C7H5FO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",C7H5FO4S,,,,,,VWYMBWGOJRULOV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.582,207-239-1,455-18-5,"a,a,a-trifluoro-4-toluonitrile",4-(trifluoromethyl)benzonitrile,FC(F)(F)c1ccc(cc1)C#N,FC(F)(F)c1ccc(cc1)C#N,"InChI=1/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H",C8H4F3N,,,,,,DRNJIKRLQJRKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.587,207-244-9,455-32-3,Benzoyl fluoride,benzoyl fluoride,FC(=O)c1ccccc1,FC(=O)c1ccccc1,InChI=1/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H,C7H5FO,,,,,,HPMLGNIUXVXALD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.593,207-251-7,455-88-9,2-fluoro-5-nitrotoluene,1-fluoro-2-methyl-4-nitrobenzene,Cc1cc(ccc1F)[N+](=O)[O-],Cc1cc(ccc1F)[N+](=O)[O-],"InChI=1/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3",C7H6FNO2,,,,,,XUCYJGMIICONES-UHFFFAOYSA-N,,,,,,,,,,,
100.006.596,207-254-3,455-95-8,Dodecylsuccinic acid,2-dodecylsuccinic acid,CCCCCCCCCCCCC(CC(=O)O)C(=O)O,CCCCCCCCCCCCC(CC(=O)O)C(=O)O,"InChI=1/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)",C16H30O4,,,,,,YLAXZGYLWOGCBF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.597,207-255-9,456-03-1,4-fluoropropiophenone,1-(4-fluorophenyl)propan-1-one,CCC(=O)c1ccc(F)cc1,CCC(=O)c1ccc(F)cc1,"InChI=1/C9H9FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",C9H9FO,,,,,,QIJNVLLXIIPXQT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.605,207-264-8,456-42-8,a-chloro-p-fluorotoluene,1-(chloromethyl)-4-fluorobenzene,Fc1ccc(CCl)cc1,Fc1ccc(CCl)cc1,"InChI=1/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",C7H6ClF,,,,,,IZXWCDITFDNEBY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.611,207-271-6,456-59-7,Cyclandelate,"3,3,5-trimethylcyclohexyl hydroxy(phenyl)acetate",CC1CC(CC(C)(C)C1)OC(=O)C(O)c2ccccc2,CC1CC(CC(C)(C)C1)OC(=O)C(O)c2ccccc2,"InChI=1/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3",C17H24O3,,,,,,WZHCOOQXZCIUNC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.740,208-512-8,531-57-7,3-amino-7-methylaminophenothiazin-5-ium chloride,3-amino-7-(methylamino)phenothiazin-5-ium chloride,[Cl-].CNc1ccc2nc3ccc(N)cc3[s+]c2c1,[Cl-].CNc1ccc2nc3ccc(N)cc3[s+]c2c1,"InChI=1/C13H12N3S.ClH/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11;/h2-7,15H,14H2,1H3;1H/q+1;/p-1",C13H12N3S.Cl,,,,,,OBKVLZKRUVYQNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.007.741,208-513-3,531-59-9,7-methoxycoumarin,7-methoxy-2H-chromen-2-one,COc1ccc2C=CC(=O)Oc2c1,COc1ccc2C=CC(=O)Oc2c1,"InChI=1/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",C10H8O3,,,,,,LIIALPBMIOVAHH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.751,209-625-5,588-64-7,Benzaldehyde phenylhydrazone,1-benzylidene-2-phenylhydrazine,N(\\N=C\\c1ccccc1)c2ccccc2,N(\N=C\c1ccccc1)c2ccccc2,"InChI=1/C13H12N2/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-11,15H",C13H12N2,,,,,,JGOAZQAXRONCCI-SDNWHVSQSA-N,,,,,,,,,,,
100.008.754,209-628-1,588-95-4,(Z)-p-fluorobenzaldehyde oxime,4-fluorobenzaldehyde oxime,O\\N=C/c1ccc(F)cc1,O\N=C/c1ccc(F)cc1,"InChI=1/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H",C7H6FNO,,,,,,FSKSLWXDUJVTHE-UITAMQMPSA-N,,,,,,,,,,,
100.008.762,209-637-0,589-16-2,4-ethylaniline,4-ethylaniline,CCc1ccc(N)cc1,CCc1ccc(N)cc1,"InChI=1/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3",C8H11N,,,,,,HRXZRAXKKNUKRF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.764,209-639-1,589-18-4,4-methylbenzyl alcohol,(4-methylphenyl)methanol,Cc1ccc(CO)cc1,Cc1ccc(CO)cc1,"InChI=1/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3",C8H10O,,,,,,KMTDMTZBNYGUNX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.765,209-640-7,589-21-9,4-bromophenylhydrazine,(4-bromophenyl)hydrazine,NNc1ccc(Br)cc1,NNc1ccc(Br)cc1,"InChI=1/C6H7BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2",C6H7BrN2,,,,,,NRESDXFFSNBDGP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.770,209-645-4,589-38-8,Hexan-3-one,hexan-3-one,CCCC(=O)CC,CCCC(=O)CC,"InChI=1/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3",C6H12O,,,,,,PFCHFHIRKBAQGU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.771,209-647-5,589-39-9,Potassium butyrate,potassium butyrate,[K+].CCCC(=O)[O-],[K+].CCCC(=O)[O-],"InChI=1/C4H8O2.K/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1",C4H8O2.K,,,,,,RWMKSKOZLCXHOK-UHFFFAOYSA-M,,,,,,,,,,,
100.008.773,209-649-6,589-43-5,"2,4-dimethylhexane","2,4-dimethylhexane",CCC(C)CC(C)C,CCC(C)CC(C)C,"InChI=1/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3",C8H18,,,,,,HDGQICNBXPAKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.109,207-818-9,496-41-3,Benzofuran-2-carboxylic acid,1-benzofuran-2-carboxylic acid,OC(=O)c1oc2ccccc2c1,OC(=O)c1oc2ccccc2c1,"InChI=1/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)",C9H6O3,,,,,,OFFSPAZVIVZPHU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.110,207-819-4,496-45-7,"Dihydro-1,3,2-dioxathiolo[1,3,2]dioxathiole 2,2,5,5-tetraoxide","dihydro[1,3,2]dioxathiolo[4,5-d][1,3,2]dioxathiole 2,2,5,5-tetraoxide",O=S1(=O)OC2OS(=O)(=O)OC2O1,O=S1(=O)OC2OS(=O)(=O)OC2O1,"InChI=1/C2H2O8S2/c3-11(4)7-1-2(9-11)10-12(5,6)8-1/h1-2H",C2H2O8S2,,,,,,DMDFIBXFFILRPE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.112,207-822-0,496-49-1,Hygrine,1-(1-methylpyrrolidin-2-yl)acetone,CN1CCC[C@@H]1CC(=O)C,CN1CCC[C@@H]1CC(=O)C,"InChI=1/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3",C8H15NO,,,,,,ADKXZIOQKHHDNQ-MRVPVSSYSA-N,,,,,,,,,,,
100.007.116,207-826-2,496-72-0,4-methyl-o-phenylenediamine,"4-methylbenzene-1,2-diamine",Cc1ccc(N)c(N)c1,Cc1ccc(N)c(N)c1,"InChI=1/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3",C7H10N2,,,,,,DGRGLKZMKWPMOH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.119,207-829-9,496-76-4,"Dihydropyrimidine-2,4,5(3H)-trione","dihydropyrimidine-2,4,5(3H)-trione",O=C1NCC(=O)C(=O)N1,O=C1NCC(=O)C(=O)N1,"InChI=1/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1H2,(H2,5,6,8,9)",C4H4N2O3,,,,,,FQXOOGHQVPKHPG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.122,207-833-0,497-03-0,(E)-2-methylbut-2-enal,2-methylbut-2-enal,C\\C=C(/C)\\C=O,C\C=C(/C)\C=O,"InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3",C5H8O,,,,,,ACWQBUSCFPJUPN-HWKANZROSA-N,,,,,,,,,,,
100.007.123,207-834-6,497-04-1,"2-chloropropane-1,3-diol","2-chloropropane-1,3-diol",OCC(Cl)CO,OCC(Cl)CO,"InChI=1/C3H7ClO2/c4-3(1-5)2-6/h3,5-6H,1-2H2",C3H7ClO2,,,,,,DYPJJAAKPQKWTM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.128,207-839-3,497-23-4,Furan-2(5H)-one,furan-2(5H)-one,O=C1OCC=C1,O=C1OCC=C1,"InChI=1/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2",C4H4O2,,,,,,VIHAEDVKXSOUAT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.130,207-841-4,497-26-7,"2-methyl-1,3-dioxolane","2-methyl-1,3-dioxolane",CC1OCCO1,CC1OCCO1,"InChI=1/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",C4H8O2,,,,,,HTWIZMNMTWYQRN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.133,207-845-6,497-37-0,Exo-bicyclo[2.2.1]heptan-2-ol,bicyclo[2.2.1]heptan-2-ol,O[C@H]1C[C@@H]2CC[C@H]1C2,O[C@H]1C[C@@H]2CC[C@H]1C2,"InChI=1/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2",C7H12O,,,,,,ZQTYQMYDIHMKQB-VQVTYTSYSA-N,,,,,,,,,,,
100.007.134,207-846-1,497-38-1,"8,9,10-trinorbornan-2-one",bicyclo[2.2.1]heptan-2-one,O=C1CC2CCC1C2,O=C1CC2CCC1C2,"InChI=1/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2",C7H10O,,,,,,KPMKEVXVVHNIEY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.319,213-550-3,975-17-7,"2,6,7-trihydroxy-9-phenylxanthen-3-one","2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one",OC1=CC2=C(c3ccccc3)c4cc(O)c(O)cc4OC2=CC1=O,OC1=CC2=C(c3ccccc3)c4cc(O)c(O)cc4OC2=CC1=O,"InChI=1/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H",C19H12O5,,,,,,YDCFOUBAMGLLKA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.330,213-562-9,980-71-2,Brompheniramine hydrogen maleate,"3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine but-2-enedioate",CN(C)CCC(c1ccc(Br)cc1)c2ccccn2.OC(=O)\\C=C/C(=O)O,CN(C)CCC(c1ccc(Br)cc1)c2ccccn2.OC(=O)\C=C/C(=O)O,"InChI=1/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C16H19BrN2.C4H4O4,,,,,,SRGKFVAASLQVBO-BTJKTKAUSA-N,,,,,,,,,,,
100.012.338,213-571-8,983-85-7,Penamecillin,"acetoxymethyl 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)Cc3ccccc3)C2=O,CC(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)Cc3ccccc3)C2=O,"InChI=1/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)",C19H22N2O6S,,,,,,NLOOMWLTUVBWAW-HLLBOEOZSA-N,,,,,,,,,,,
100.012.343,213-577-0,987-18-8,"17-hydroxy-6a-(trifluoromethyl)pregn-4-ene-3,20-dione 17-acetate","3,20-dioxo-6-(trifluoromethyl)pregn-4-en-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@@H](C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@@H](C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F)C(=O)C,"InChI=1/C24H31F3O4/c1-13(28)23(31-14(2)29)10-7-18-16-12-20(24(25,26)27)19-11-15(30)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3",C24H31F3O4,,,,,,MXZYUFNILISKBC-WXLIAARGSA-N,,,,,,,,,,,
100.012.345,213-579-1,987-65-5,"Adenosine 5'-(tetrahydrogen triphosphate), disodium salt",disodium 9-{5-O-[hydroxy({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O,"InChI=1/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/rC10H14N5Na2O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(19)6(18)4(26-10)1-25-31(20,21)29-33(24,28-17)30-32(22,23)27-16/h2-4,6-7,10,18-19H,1H2,(H,20,21)(H,22,23)(H2,11,12,13)",C10H16N5O13P3.2Na,,,,,,TTWYZDPBDWHJOR-UHFFFAOYSA-L,,,,,,,,,,,
100.012.346,213-580-7,987-78-0,Citicoline,5'-O-[hydroxy({[(trimethylammonio)oxy]phosphinato}oxy)phosphoryl]cytidine,C[N+](C)(C)OP(=O)([O-])OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)N,C[N+](C)(C)OP(=O)([O-])OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)N,"InChI=1/C12H22N4O11P2/c1-16(2,3)26-29(22,23)27-28(20,21)24-6-7-9(17)10(18)11(25-7)15-5-4-8(13)14-12(15)19/h4-5,7,9-11,17-18H,6H2,1-3H3,(H3-,13,14,19,20,21,22,23)",C14H26N4O11P2,,,,,,OPDHNBAEGPICKZ-QCNRFFRDSA-N,,,,,,,,,,,
100.012.350,213-584-9,989-38-8,"9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride","9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium chloride",[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C,[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C,"InChI=1/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1",C28H31N2O3.Cl,,,,,,XFKVYXCRNATCOO-UHFFFAOYSA-M,,,,,,,,,,,
100.012.354,213-589-6,991-42-4,Norbormide,"5-[hydroxy(phenyl)pyridin-2-ylmethyl]-8-[phenyl(pyridin-2-yl)methylene]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",O=C4NC(=O)C5C1/C=C(\\C(C1=C(c2ccccc2)c3ccccn3)C45)C(O)(c6ccccc6)c7ccccn7,O=C4NC(=O)C5C1/C=C(\C(C1=C(c2ccccc2)c3ccccn3)C45)C(O)(c6ccccc6)c7ccccn7,"InChI=1/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)",C33H25N3O3,,,,,,DNTHHIVFNQZZRD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.899,211-987-4,732-11-6,Phosmet,"S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate",COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,"InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3",C11H12NO4PS2,,,,,,LMNZTLDVJIUSHT-UHFFFAOYSA-N,Positive,EQ310101|EQ310102|EQ310103|EQ310104|EQ310105|EQ310106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,160.0393:178.05:113.0596|160.0393:133.0283:178.05|160.0393:133.0285:105.0336|160.0393:133.0284:105.0336|160.0394:133.0285:105.0336|133.0284:95.0492:105.0336,Eawag,,,,,
100.010.911,212-002-0,736-31-2,"trans-4,4'-dinitrostilbene","1,1'-ethene-1,2-diylbis(4-nitrobenzene)",[O-][N+](=O)c1ccc(\\C=C\\c2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,InChI=1/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,C14H10N2O4,,,,,,CLVIIRIMEIEKOQ-OWOJBTEDSA-N,,,,,,,,,,,
100.010.912,212-003-6,736-53-8,5-nitro-2-furaldehyde (5-nitrofurfurylene)hydrazone,bis[(5-nitro-2-furyl)methylene]hydrazine,O=N(=O)c1oc(C=NN=Cc2oc(cc2)N(=O)=O)cc1,O=N(=O)c1oc(C=NN=Cc2oc(cc2)N(=O)=O)cc1,InChI=1/C10H6N4O6/c15-13(16)9-3-1-7(19-9)5-11-12-6-8-2-4-10(20-8)14(17)18/h1-6H,C10H6N4O6,,,,,,LIELVKLOFLWIGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.916,212-007-8,738-88-5,"2,2'-oxybis[5-ethyl-5-methyl-1,3,2-dioxaphosphorinane] 2,2'-dioxide","2,2'-oxybis(5-ethyl-5-methyl-1,3,2-dioxaphosphinane) 2,2'-dioxide",CCC1(C)COP(=O)(OP2(=O)OCC(C)(CC)CO2)OC1,CCC1(C)COP(=O)(OP2(=O)OCC(C)(CC)CO2)OC1,"InChI=1/C12H24O7P2/c1-5-11(3)7-15-20(13,16-8-11)19-21(14)17-9-12(4,6-2)10-18-21/h5-10H2,1-4H3",C12H24O7P2,,,,,,RTVFKVVXDNJFBK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.149,207-862-9,498-43-1,3-deoxy-D-gluconic acid,3-deoxy-D-xylo-hexonic acid,OC[C@@H](O)[C@H](O)C[C@@H](O)C(=O)O,OC[C@@H](O)[C@H](O)C[C@@H](O)C(=O)O,"InChI=1/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)",C6H12O6,,,,,,YGMNHEPVTNXLLS-UOWFLXDJSA-N,,,,,,,,,,,
100.008.645,209-507-3,583-53-9,"1,2-dibromobenzene","1,2-dibromobenzene",Brc1ccccc1Br,Brc1ccccc1Br,InChI=1/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4Br2,,,,,,WQONPSCCEXUXTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.659,209-523-0,583-91-5,2-hydroxy-4-(methylthio)butyric acid,2-hydroxy-4-(methylsulfanyl)butanoic acid,CSCCC(O)C(=O)O,CSCCC(O)C(=O)O,"InChI=1/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",C5H10O3S,,,,,,ONFOSYPQQXJWGS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.661,209-525-1,584-00-9,2-methylbut-3-yn-1-ol,2-methylbut-3-yn-1-ol,CC(CO)C#C,CC(CO)C#C,"InChI=1/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3",C5H8O,,,,,,QDLPJHIEFRSZJK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.664,209-528-8,584-04-3,"1,3-dimercaptopropan-2-ol","1,3-disulfanylpropan-2-ol",OC(CS)CS,OC(CS)CS,"InChI=1/C3H8OS2/c4-3(1-5)2-6/h3-6H,1-2H2",C3H8OS2,,,,,,WNPSAOYKQQUALV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.667,209-531-4,584-10-1,Dipotassium trithiocarbonate,dipotassium trithiocarbonate,[K+].[K+].[S-]C(=S)[S-],[K+].[K+].[S-]C(=S)[S-],"InChI=1/CH2S3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CH2S3.2K,,,,,,RQPRTOROWUUIIX-UHFFFAOYSA-L,,,,,,,,,,,
100.008.671,209-536-1,584-42-9,2-hydroxy-5-(3-nitrophenylazo)benzoate sodium,sodium 2-hydroxy-5-[(3-nitrophenyl)diazenyl]benzoate,[Na+].O=C([O-])c1cc(ccc1O)N=Nc2cccc(c2)[N+]([O-])=O,[Na+].O=C([O-])c1cc(ccc1O)N=Nc2cccc(c2)[N+]([O-])=O,"InChI=1/C13H9N3O5.Na/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1",C13H9N3O5.Na,,,,,,ZHFPEICFUVWJIS-UHFFFAOYSA-M,,,,,,,,,,,
100.008.672,209-537-7,584-43-0,Disuccinimidomercury,"pyrrolidine-2,5-dione",O=C1CCC(=O)N1,O=C1CCC(=O)N1,"InChI=1/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)",C4H5NO2.1/2Hg,,,,,,KZNICNPSHKQLFF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.673,209-538-2,584-45-2,Benzylidenemalonic acid,benzylidenemalonic acid,OC(=O)C(=Cc1ccccc1)C(=O)O,OC(=O)C(=Cc1ccccc1)C(=O)O,"InChI=1/C10H8O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)",C10H8O4,,,,,,KXTAOXNYQGASTA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.679,209-545-0,584-85-0,N-ß-alanyl-3-methyl-L-histidine,beta-alanyl-3-methyl-L-histidine,Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O,Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O,"InChI=1/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)",C10H16N4O3,,,,,,MYYIAHXIVFADCU-QMMMGPOBSA-N,,,,,,,,,,,
100.008.680,209-546-6,584-93-0,2-bromovaleric acid,2-bromopentanoic acid,CCCC(Br)C(=O)O,CCCC(Br)C(=O)O,"InChI=1/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)",C5H9BrO2,,,,,,WMFATTFQNRPXBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.684,209-550-8,585-23-9,3-[(aminocarbonyl)amino]alanine,3-(carbamoylamino)alanine,NC(CNC(=O)N)C(=O)O,NC(CNC(=O)N)C(=O)O,"InChI=1/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)",C4H9N3O3,,,,,,GZYFIMLSHBLMKF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.807,208-586-1,534-08-7,"1,3-diiodopropan-2-ol","1,3-diiodopropan-2-ol",OC(CI)CI,OC(CI)CI,"InChI=1/C3H6I2O/c4-1-3(6)2-5/h3,6H,1-2H2",C3H6I2O,,,,,,DNKPFCQEGBJJTE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.809,208-588-2,534-13-4,"1,3-dimethyl-2-thiourea","N,N'-dimethylcarbamimidothioic acid",CNC(=NC)S,CNC(=NC)S,"InChI=1/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)",C3H8N2S,,,,,,VLCDUOXHFNUCKK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.814,208-594-5,534-22-5,2-methylfuran,2-methylfuran,Cc1occc1,Cc1occc1,"InChI=1/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",C5H6O,,,,,,VQKFNUFAXTZWDK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.823,208-603-2,534-61-2,"[1S-(1a,3ß,4ß,5a)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid","3-{[3-(3,4-dihydroxyphenyl)acryloyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid",OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O,OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O,"InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",C16H18O9,,,,,,CWVRJTMFETXNAD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.824,208-604-8,534-64-5,1-(4-ammonio-2-methylpyrimidin-5-yl)-3-(2-hydroxyethyl)-2-methylpyridinium dibromide,1-(4-ammonio-2-methylpyrimidin-5-yl)-3-(2-hydroxyethyl)-2-methylpyridinium dibromide,[Br-].[Br-].Cc1ncc(c([NH3+])n1)[n+]2cccc(CCO)c2C,[Br-].[Br-].Cc1ncc(c([NH3+])n1)[n+]2cccc(CCO)c2C,"InChI=1/C13H17N4O.2BrH/c1-9-11(5-7-18)4-3-6-17(9)12-8-15-10(2)16-13(12)14;;/h3-4,6,8,18H,5,7H2,1-2H3,(H2,14,15,16);2*1H/q+1;;/p-1",C14H19N4O.BrH.Br,,,,,,HSKZJOLRIRIARM-UHFFFAOYSA-M,,,,,,,,,,,
100.006.613,207-273-7,457-60-3,Neoarsphenamine,sodium ({5-[(3-amino-4-hydroxyphenyl)diarsenyl]-2-hydroxyphenyl}amino)methanesulfinate,[Na+].Oc1ccc(cc1NCS([O-])=O)[As]=[As]c2ccc(O)c(N)c2,[Na+].Oc1ccc(cc1NCS([O-])=O)[As]=[As]c2ccc(O)c(N)c2,"InChI=1/C13H14As2N2O4S.Na/c16-10-5-8(1-3-12(10)18)14-15-9-2-4-13(19)11(6-9)17-7-22(20)21;/h1-6,17-19H,7,16H2,(H,20,21);/q;+1/p-1",C13H14As2N2O4S.Na,,,,,,BGYSJUFVJUJSOL-UHFFFAOYSA-M,,,,,,,,,,,
100.006.616,207-276-3,458-24-2,Fenfluramine,N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine,CCNC(C)Cc1cccc(c1)C(F)(F)F,CCNC(C)Cc1cccc(c1)C(F)(F)F,"InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3",C12H16F3N,,,,,,DBGIVFWFUFKIQN-UHFFFAOYSA-N,Positive,AU224801|AU224802|AU224803|AU224804|AU224805;ET060001|ET060002|ET060003|ET060004|ET060005,[M+H]+;[M+H]+,"CID10|CID20|CID30|CID40|CID50;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",232.1306:233.1337:159.0409|159.0409:232.1305:187.0721|159.0409:160.0442:139.0346|159.0409:160.0442:147.0344|159.0406:139.0343:160.0442;232.1306:159.0415:187.0728|159.0416:187.0727:232.1306|159.0416:109.0446:187.0732|159.0416:109.0447:139.0352|159.0415:109.0447:139.0351,Athens_Univ;Eawag_Additional_Specs,,,,,
100.006.618,207-278-4,458-36-6,4'-hydroxy-3'-methoxycinnamaldehyde,3-(4-hydroxy-3-methoxyphenyl)acrylaldehyde,COc1cc(C=CC=O)ccc1O,COc1cc(C=CC=O)ccc1O,"InChI=1/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3",C10H10O3,,,,,,DKZBBWMURDFHNE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.619,207-280-5,458-37-7,"1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione","1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione",Oc1ccc(cc1OC)C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2,Oc1ccc(cc1OC)C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2,"InChI=1/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3",C21H20O6,,,,,,VFLDPWHFBUODDF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.620,207-281-0,458-46-8,m-fluorocinnamic acid,3-(3-fluorophenyl)acrylic acid,OC(=O)\\C=C\\c1cccc(F)c1,OC(=O)\C=C\c1cccc(F)c1,"InChI=1/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)",C9H7FO2,,,,,,RTSIUKMGSDOSTI-SNAWJCMRSA-N,,,,,,,,,,,
100.006.621,207-282-6,458-88-8,Coniine,2-propylpiperidine,CCC[C@H]1CCCCN1,CCC[C@H]1CCCCN1,"InChI=1/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3",C8H17N,,,,,,NDNUANOUGZGEPO-QMMMGPOBSA-N,,,,,,,,,,,
100.006.623,207-284-7,459-03-0,(4-fluorophenyl)acetone,1-(4-fluorophenyl)acetone,CC(=O)Cc1ccc(F)cc1,CC(=O)Cc1ccc(F)cc1,"InChI=1/C9H9FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3",C9H9FO,,,,,,ZUEKIIWSVFBTCM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.137,210-050-7,603-61-2,"3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone","3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one",COc1ccc(cc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2,COc1ccc(cc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2,"InChI=1/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3",C16H12O7,,,,,,FPLMIPQZHHQWHN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.138,210-051-2,603-62-3,3-nitrophthalimide,"4-nitro-1H-isoindole-1,3(2H)-dione",[O-][N+](=O)c1cccc2C(=O)NC(=O)c12,[O-][N+](=O)c1cccc2C(=O)NC(=O)c12,"InChI=1/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)",C8H4N2O4,,,,,,BONIIQYTWOPUQI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.145,210-059-6,603-83-8,3-nitro-o-toluidine,2-methyl-3-nitroaniline,Cc1c(N)cccc1[N+](=O)[O-],Cc1c(N)cccc1[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3",C7H8N2O2,,,,,,HFCFJYRLBAANKN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.146,210-060-1,603-85-0,2-amino-3-nitrophenol,2-amino-3-nitrophenol,Nc1c(O)cccc1[N+](=O)[O-],Nc1c(O)cccc1[N+](=O)[O-],"InChI=1/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2",C6H6N2O3,,,,,,KUCWUAFNGCMZDB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.147,210-061-7,603-86-1,2-chloro-6-nitrophenol,2-chloro-6-nitrophenol,Oc1c(Cl)cccc1[N+](=O)[O-],Oc1c(Cl)cccc1[N+](=O)[O-],"InChI=1/C6H4ClNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H",C6H4ClNO3,,,,,,ICCYFVWQNFMENX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.152,210-066-4,604-35-3,Cholest-5-en-3-ß-yl acetate,cholest-5-en-3-yl acetate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3",C29H48O2,,,,,,XUGISPSHIFXEHZ-VEVYEIKRSA-N,,,,,,,,,,,
100.009.156,210-071-1,604-59-1,2-phenylbenzo[h]chromen-4-one,2-phenyl-4H-benzo[h]chromen-4-one,O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4,O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4,InChI=1/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H,C19H12O2,,,,,,VFMMPHCGEFXGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.161,210-076-9,604-75-1,Oxazepam,"7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,"InChI=1/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",C15H11ClN2O2,,,,,,ADIMAYPTOBDMTL-UHFFFAOYSA-N,Positive/Negative,SM860402;EA274301|EA274302|EA274303|EA274304|EA274305|EA274306|EA274307|EA274308|EA274309|EA274310|EA274311|EA274312|EA274313|EA274314,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,241.0526:287.0581:269.0475;269.0479:241.0525:166.0054|287.0583:269.0478:104.05|269.0476:287.0579:241.0526|241.0528:269.0474:231.0683|241.053:104.0496:231.0685|241.0527:104.0495:163.0057|104.0495:241.0528:163.0058|287.0585:269.0476:241.0532|287.0583:269.0478:241.0527|241.0529:269.0476:231.0684|241.0529:104.0495:231.0684|241.0527:104.0495:163.0058|104.0495:241.0526:163.0058|269.0478:241.0527,CASMI_2016;Eawag,SM860452;EA274351|EA274352|EA274353|EA274354|EA274356|EA274358|EA274359|EA274360|EA274361|EA274362|EA274364,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD75|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,285.0437:257.0489:179.0013;257.0488:242.0378:179.0018|285.0437:257.0485|285.0435:257.0485:242.0383|242.0382:179.0017:241.03|151.0065|285.0436:257.0485|285.0434:257.0483:179.0021|241.0297:257.048|151.0073:241.0305|241.0305|257.0487:242.0374,CASMI_2016;Eawag
100.009.162,210-077-4,604-88-6,Hexaethylbenzene,hexaethylbenzene,CCc1c(CC)c(CC)c(CC)c(CC)c1CC,CCc1c(CC)c(CC)c(CC)c(CC)c1CC,"InChI=1/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3",C18H30,,,,,,LXSMILGNHYBUCG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.135,207-847-7,497-39-2,"4,6-di-tert-butyl-m-cresol","2,4-di-tert-butyl-5-methylphenol",Cc1cc(O)c(cc1C(C)(C)C)C(C)(C)C,Cc1cc(O)c(cc1C(C)(C)C)C(C)(C)C,"InChI=1/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3",C15H24O,,,,,,WYSSJDOPILWQDC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.137,207-849-8,497-75-6,Dioxethedrin,"4-(4-amino-1-hydroxy-2-methylbutyl)benzene-1,2-diol",CC(CCN)C(O)c1ccc(O)c(O)c1,CC(CCN)C(O)c1ccc(O)c(O)c1,"InChI=1/C11H17NO3/c1-7(4-5-12)11(15)8-2-3-9(13)10(14)6-8/h2-3,6-7,11,13-15H,4-5,12H2,1H3",C11H17NO3,,,,,,PJNFQQGAPHCWNF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.138,207-850-3,497-76-7,4-hydroxyphenyl ß-D-glucopyranoside,4-hydroxyphenyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2",C12H16O7,,,,,,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,,,,,,,,,,,
100.007.141,207-854-5,498-02-2,4'-hydroxy-3'-methoxyacetophenone,1-(4-hydroxy-3-methoxyphenyl)ethanone,COc1cc(ccc1O)C(=O)C,COc1cc(ccc1O)C(=O)C,"InChI=1/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",C9H10O3,,,,,,DFYRUELUNQRZTB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.646,209-508-9,583-55-1,1-bromo-2-iodobenzene,1-bromo-2-iodobenzene,Brc1ccccc1I,Brc1ccccc1I,InChI=1/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4BrI,,,,,,OIRHKGBNGGSCGS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.648,209-511-5,583-58-4,"3,4-dimethylpyridine","3,4-dimethylpyridine",Cc1ccncc1C,Cc1ccncc1C,"InChI=1/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3",C7H9N,,,,,,NURQLCJSMXZBPC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.649,209-512-0,583-59-5,"2-methylcyclohexanol, mixed isomers",2-methylcyclohexanol,CC1CCCCC1O,CC1CCCCC1O,"InChI=1/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3",C7H14O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10155,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.649,NDVWOBYBJYUSMF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.652,209-515-7,583-68-6,2-bromo-p-toluidine,2-bromo-4-methylaniline,Cc1ccc(N)c(Br)c1,Cc1ccc(N)c(Br)c1,"InChI=1/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3",C7H8BrN,,,,,,UVRRJILIXQAAFK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.657,209-520-4,583-78-8,"2,5-dichlorophenol","2,5-dichlorophenol",Oc1cc(Cl)ccc1Cl,Oc1cc(Cl)ccc1Cl,"InChI=1/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H",C6H4Cl2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7040,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.657,RANCECPPZPIPNO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.666,209-530-9,584-09-8,Rubidium carbonate,dirubidium carbonate,[Rb+].[Rb+].[O-]C(=O)[O-],[Rb+].[Rb+].[O-]C(=O)[O-],"InChI=1/CH2O3.2Rb/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CH2O3.2Rb,,,,,,WPFGFHJALYCVMO-UHFFFAOYSA-L,,,,,,,,,,,
100.008.669,209-534-0,584-18-9,"2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenylmercury acetate","[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]mercury(1+) acetate",CC(=O)[O-].CC(C)(C)CC(C)(C)c1ccc(O)c([Hg+])c1,CC(=O)[O-].CC(C)(C)CC(C)(C)c1ccc(O)c([Hg+])c1,"InChI=1/C14H21O.C2H4O2.Hg/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2(3)4;/h6-8,15H,10H2,1-5H3;1H3,(H,3,4);/q;;+1/p-1/rC14H21HgO.C2H4O2/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10;1-2(3)4/h6-8,16H,9H2,1-5H3;1H3,(H,3,4)/q+1;/p-1",C16H24HgO3,,,,,,YEWQCWVEXRSMSB-UHFFFAOYSA-M,,,,,,,,,,,
100.008.675,209-540-3,584-59-8,4-(diethylamino)-2-ethoxybenzenediazonium tetrafluoroborate,4-(diethylamino)-2-ethoxybenzenediazonium tetrafluoroborate,CCOc1cc(ccc1[N+]#N)N(CC)CC.F[B-](F)(F)F,CCOc1cc(ccc1[N+]#N)N(CC)CC.F[B-](F)(F)F,"InChI=1/C12H18N3O.BF4/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;2-1(3,4)5/h7-9H,4-6H2,1-3H3;/q+1;-1",C12H18N3O.BF4,,,,,,ZDYXCTXUWJOXLL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.681,209-547-1,584-94-1,"2,3-dimethylhexane","2,3-dimethylhexane",CCCC(C)C(C)C,CCCC(C)C(C)C,"InChI=1/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3",C8H18,,,,,,JXPOLSKBTUYKJB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.682,209-548-7,585-07-9,tert-butyl methacrylate,tert-butyl methacrylate,CC(=C)C(=O)OC(C)(C)C,CC(=C)C(=O)OC(C)(C)C,"InChI=1/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3",C8H14O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2073,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.682,SJMYWORNLPSJQO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.683,209-549-2,585-09-1,Dipotassium malate,dipotassium malate,[K+].[K+].OC(CC(=O)[O-])C(=O)[O-],[K+].[K+].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.2K/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C4H6O5.2K,,,,,,SVICABYXKQIXBM-UHFFFAOYSA-L,,,,,,,,,,,
100.008.687,209-553-4,585-34-2,3-tert-butylphenol,3-tert-butylphenol,CC(C)(C)c1cccc(O)c1,CC(C)(C)c1cccc(O)c1,"InChI=1/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3",C10H14O,,,,,,CYEKUDPFXBLGHH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.690,209-557-6,585-48-8,"2,6-di-tert-butylpyridine","2,6-di-tert-butylpyridine",CC(C)(C)c1cccc(n1)C(C)(C)C,CC(C)(C)c1cccc(n1)C(C)(C)C,"InChI=1/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3",C13H21N,,,,,,UWKQJZCTQGMHKD-UHFFFAOYSA-N,Positive,EQ359001|EQ359002|EQ359003|EQ359004|EQ359005|EQ359006|EQ359007|EQ359008|EQ359009,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,192.1747:83.0855:111.0804|192.1747:111.0804:83.0855|192.1747:177.1512:163.1355|192.1746:177.1512:163.1355|162.1277:177.1512:192.1747|162.1277:176.1434:148.1121|162.1277:147.1042:146.0964|146.0965:132.0808:147.1043|146.0965:132.0808:104.0495,Eawag,,,,,
100.007.806,208-585-6,534-07-6,"1,3-dichloroacetone","1,3-dichloroacetone",ClCC(=O)CCl,ClCC(=O)CCl,InChI=1/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2,C3H4Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17083,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.806,SUNMBRGCANLOEG-UHFFFAOYSA-N,,,,,,,,,,,
100.010.917,212-008-3,739-71-9,Trimipramine,"3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine",CC(CN(C)C)CN1c2ccccc2CCc3ccccc13,CC(CN(C)C)CN1c2ccccc2CCc3ccccc13,"InChI=1/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3",C20H26N2,,,,,,ZSCDBOWYZJWBIY-UHFFFAOYSA-N,Positive,EA286101|EA286102|EA286103|EA286104|EA286105|EA286106|EA286107|EA286108|EA286109|EA286110|EA286111|EA286112|EA286113|EA286114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,100.1121:250.1591:208.1119|295.217:100.1121:208.1128|100.1122:295.2164:58.0651|100.1121:58.0651:208.1121|100.1121:58.0651:208.1121|58.0651:100.1121:193.0886|58.0651:193.0885:100.1121|295.2171:100.112:58.0648|100.1121:295.2174:58.0651|100.1121:58.0651:208.1119|100.1121:58.0651:208.112|58.0651:100.1121:193.0886|58.0651:193.0885:100.1121|100.1121:250.1588:208.1119,Eawag,,,,,
100.010.918,212-009-9,740-57-8,(S)-2-amino-N-(2-naphthyl)-3-phenylpropionamide,N-2-naphthyl-D-phenylalaninamide,N[C@@H](Cc1ccccc1)C(=O)Nc2ccc3ccccc3c2,N[C@@H](Cc1ccccc1)C(=O)Nc2ccc3ccccc3c2,"InChI=1/C19H18N2O/c20-18(12-14-6-2-1-3-7-14)19(22)21-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12,20H2,(H,21,22)",C19H18N2O,,,,,,QUOLUWPVABJBKU-SFHVURJKSA-N,,,,,,,,,,,
100.010.919,212-010-4,741-58-2,Bensulide,"O,O-diisopropyl S-{2-[(phenylsulfonyl)amino]ethyl} dithiophosphate",CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1,CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1,"InChI=1/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3",C14H24NO4PS3,,,,,,RRNIZKPFKNDSRS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.923,212-015-1,744-46-7,N2-(N-benzoylglycyl)-L-arginine,N-benzoylglycyl-L-arginine,NC(=N)NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)O,NC(=N)NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)O,"InChI=1/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)",C15H21N5O4,,,,,,GFLCPYUSPYXNBV-NSHDSACASA-N,,,,,,,,,,,
100.010.932,212-025-6,749-99-5,5-(hydroxymethyl)-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridyloctanoic acid,5-(hydroxymethyl)-2-methyl-4-[(octanoyloxy)methyl]-3-pyridin-2-yloctanoic acid,CCCCCCCC(=O)OCC(C(CO)CCC)C(C(C)C(=O)O)c1ccccn1,CCCCCCCC(=O)OCC(C(CO)CCC)C(C(C)C(=O)O)c1ccccn1,"InChI=1/C24H39NO5/c1-4-6-7-8-9-14-22(27)30-17-20(19(16-26)12-5-2)23(18(3)24(28)29)21-13-10-11-15-25-21/h10-11,13,15,18-20,23,26H,4-9,12,14,16-17H2,1-3H3,(H,28,29)",C24H39NO5,,,,,,HVFZJKANFMTOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.933,212-026-1,750-88-9,Quinine benzoate,6'-methoxycinchonan-9-ol benzoate (salt),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)c5ccccc5,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)c5ccccc5,"InChI=1/C20H24N2O2.C7H6O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-7(9)6-4-2-1-3-5-6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-5H,(H,8,9)",C20H24N2O2.C7H6O2,,,,,,AQHKBFWCAHXPDT-DSXUQNDKSA-N,,,,,,,,,,,
100.010.934,212-027-7,750-90-3,Quinine salicylate,2-hydroxybenzoic acid - 6'-methoxycinchonan-9-ol (1:1),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)c5ccccc5O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)c5ccccc5O,"InChI=1/C20H24N2O2.C7H6O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-6-4-2-1-3-5(6)7(9)10/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4,8H,(H,9,10)",C20H24N2O2.C7H6O3,,,,,,MAYUSTFJKJSJNC-DSXUQNDKSA-N,,,,,,,,,,,
100.010.936,212-029-8,751-84-8,Benethamine penicillin,"3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,"InChI=1/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C16H18N2O4S.C15H17N,,,,,,JGSARLDLIJGVTE-UHFFFAOYSA-N,Positive,mzcloud:2743,[M+H]+;[M+CH3OH+H]+,HCD_Averaged,289.1005:176.07063:160.04268:128.05284:114.0372:91.0542:81.04473:65.03858,HighChem,,,,,
100.010.940,212-034-5,752-56-7,"Riboflavin, 2',3',4',5'-tetrabutanoate","2,3,4,5-tetra-O-butyryl-1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol",CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13)OC(=O)CCC,CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13)OC(=O)CCC,"InChI=1/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)",C33H44N4O10,,,,,,MJNIWUJSIGSWKK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.619,212-780-1,868-63-3,"N,N'-(1,2-dihydroxy-1,2-ethanediyl)bis(acrylamide)","N,N'-(1,2-dihydroxyethane-1,2-diyl)bisacrylamide",OC(NC(=O)C=C)C(O)NC(=O)C=C,OC(NC(=O)C=C)C(O)NC(=O)C=C,"InChI=1/C8H12N2O4/c1-3-5(11)9-7(13)8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12)",C8H12N2O4,,,,,,ZMLXKXHICXTSDM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.620,212-781-7,868-68-8,"Diethyl 2,6-dibromoheptanedioate","diethyl 2,6-dibromoheptanedioate",CCOC(=O)C(Br)CCCC(Br)C(=O)OCC,CCOC(=O)C(Br)CCCC(Br)C(=O)OCC,"InChI=1/C11H18Br2O4/c1-3-16-10(14)8(12)6-5-7-9(13)11(15)17-4-2/h8-9H,3-7H2,1-2H3",C11H18Br2O4,,,,,,SPJSPERKKWTTBF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.622,212-783-8,868-85-9,Dimethyl phosphonate,dimethyl phosphonate,COP(=O)OC,COP(=O)OC,"InChI=1/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3",C2H7O3P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13218,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.622,HZCDANOFLILNSA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.625,212-786-4,869-24-9,2-chloroethyldiethylammonium chloride,"2-chloro-N,N-diethylethanaminium chloride",[Cl-].CC[NH+](CC)CCCl,[Cl-].CC[NH+](CC)CCCl,"InChI=1/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H",C6H14ClN.ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6824,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.625,RAGSWDIQBBZLLL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.828,208-609-5,535-11-5,Ethyl 2-bromopropionate,ethyl 2-bromopropanoate,CCOC(=O)C(C)Br,CCOC(=O)C(C)Br,"InChI=1/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3",C5H9BrO2,,,,,,ARFLASKVLJTEJD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.829,208-610-0,535-13-7,Ethyl 2-chloropropionate,ethyl 2-chloropropanoate,CCOC(=O)C(C)Cl,CCOC(=O)C(C)Cl,"InChI=1/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3",C5H9ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10524,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.829,JEAVBVKAYUCPAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.840,208-622-6,535-89-7,Crimidine,"2-chloro-N,N,6-trimethylpyrimidin-4-amine",CN(C)c1cc(C)nc(Cl)n1,CN(C)c1cc(C)nc(Cl)n1,"InChI=1/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3",C7H10ClN3,,,,,,HJIUPFPIEBPYIE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.842,208-624-7,536-08-3,"3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid","3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid",OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,"InChI=1/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)",C14H10O9,,,,,,COVFEVWNJUOYRL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.846,208-628-9,536-33-4,Ethionamide,2-ethylpyridine-4-carbothioamide,CCc1cc(ccn1)C(=S)N,CCc1cc(ccn1)C(=S)N,"InChI=1/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)",C8H10N2S,,,,,,AEOCXXJPGCBFJA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.848,208-631-5,536-38-9,Bromomethyl p-chlorophenyl ketone,2-bromo-1-(4-chlorophenyl)ethanone,Clc1ccc(cc1)C(=O)CBr,Clc1ccc(cc1)C(=O)CBr,"InChI=1/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",C8H6BrClO,,,,,,FLAYZKKEOIAALB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.854,208-637-8,536-50-5,"p,a-dimethylbenzyl alcohol",1-(4-methylphenyl)ethanol,CC(O)c1ccc(C)cc1,CC(O)c1ccc(C)cc1,"InChI=1/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3",C9H12O,,,,,,JESIHYIJKKUWIS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.776,209-652-2,589-57-1,Diethyl chlorophosphite,diethyl chlorophosphite,CCOP(Cl)OCC,CCOP(Cl)OCC,"InChI=1/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3",C4H10ClO2P,,,,,,TXHWYSOQHNMOOU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.779,209-655-9,589-63-9,Octan-4-one,octan-4-one,CCCCC(=O)CCC,CCCCC(=O)CCC,"InChI=1/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3",C8H16O,,,,,,YWXLSHOWXZUMSR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.795,209-673-7,590-18-1,(Z)-but-2-ene,but-2-ene,C\\C=C/C,C\C=C/C,"InChI=1/C4H8/c1-3-4-2/h3-4H,1-2H3",C4H8,,,,,,IAQRGUVFOMOMEM-ARJAWSKDSA-N,,,,,,,,,,,
100.008.797,209-675-8,590-21-6,1-chloropropene,1-chloroprop-1-ene,CC=CCl,CC=CCl,"InChI=1/C3H5Cl/c1-2-3-4/h2-3H,1H3",C3H5Cl,,,,,,OWXJKYNZGFSVRC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.806,209-685-2,590-50-1,"4,4-dimethylpentan-2-one","4,4-dimethylpentan-2-one",CC(=O)CC(C)(C)C,CC(=O)CC(C)(C)C,"InChI=1/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3",C7H14O,,,,,,AZASWMGVGQEVCS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.813,209-693-6,590-90-9,4-hydroxybutan-2-one,4-hydroxybutan-2-one,CC(=O)CCO,CC(=O)CCO,"InChI=1/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3",C4H8O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16317,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.813,LVSQXDHWDCMMRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.820,209-700-2,591-11-7,5-methylfuran-2(5H)-one,5-methylfuran-2(5H)-one,CC1OC(=O)C=C1,CC1OC(=O)C=C1,"InChI=1/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3",C5H6O2,,,,,,BGLUXFNVVSVEET-UHFFFAOYSA-N,,,,,,,,,,,
100.008.823,209-703-9,591-18-4,1-bromo-3-iodobenzene,1-bromo-3-iodobenzene,Brc1cccc(I)c1,Brc1cccc(I)c1,InChI=1/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4BrI,,,,,,CTPUUDQIXKUAMO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.825,209-706-5,591-20-8,3-bromophenol,3-bromophenol,Oc1cccc(Br)c1,Oc1cccc(Br)c1,"InChI=1/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H",C6H5BrO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17855,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.825,MNOJRWOWILAHAV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.829,209-710-7,591-24-2,3-methylcyclohexanone,3-methylcyclohexanone,CC1CCCC(=O)C1,CC1CCCC(=O)C1,"InChI=1/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3",C7H12O,,,,,,UJBOOUHRTQVGRU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.151,207-865-5,498-62-4,Thiophene-3-carbaldehyde,thiophene-3-carbaldehyde,O=Cc1ccsc1,O=Cc1ccsc1,InChI=1/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H,C5H4OS,,,,,,RBIGKSZIQCTIJF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.152,207-866-0,498-66-8,"8,9,10-trinorborn-2-ene",bicyclo[2.2.1]hept-2-ene,C1CC2CC1C=C2,C1CC2CC1C=C2,"InChI=1/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2",C7H10,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5195,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.152,JFNLZVQOOSMTJK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.157,207-871-8,498-81-7,"a,a,4-trimethylcyclohexanemethanol",2-(4-methylcyclohexyl)propan-2-ol,CC1CCC(CC1)C(C)(C)O,CC1CCC(CC1)C(C)(C)O,"InChI=1/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,UODXCYZDMHPIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.163,210-079-5,604-98-8,S-(hydrogen succinyl)coenzyme A,9-(5-O-{[3-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropoxy](hydroxy)phosphoryl}-3-O-phosphonopentofuranosyl)-9H-purin-6-amine,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OCCC(=O)NCCSC(=O)CCC(=O)O)C(OP(=O)(O)O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OCCC(=O)NCCSC(=O)CCC(=O)O)C(OP(=O)(O)O)C3O,"InChI=1/C19H28N6O14P2S/c20-17-14-18(23-8-22-17)25(9-24-14)19-15(30)16(39-40(31,32)33)10(38-19)7-37-41(34,35)36-5-3-11(26)21-4-6-42-13(29)2-1-12(27)28/h8-10,15-16,19,30H,1-7H2,(H,21,26)(H,27,28)(H,34,35)(H2,20,22,23)(H2,31,32,33)",C25H40N7O19P3S,,,,,,ADTCTFQRTCZMIV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.164,210-080-0,605-01-6,Pentaethylbenzene,"1,2,3,4,5-pentaethylbenzene",CCc1cc(CC)c(CC)c(CC)c1CC,CCc1cc(CC)c(CC)c(CC)c1CC,"InChI=1/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3",C16H26,,,,,,JREJWHNDQOGSQT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.168,210-084-2,605-28-7,"2,7-dinitroanthraquinone","2,7-dinitro-9,10-anthraquinone",[O-][N+](=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)[N+](=O)[O-],[O-][N+](=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)[N+](=O)[O-],InChI=1/C14H6N2O6/c17-13-9-3-1-7(15(19)20)5-11(9)14(18)12-6-8(16(21)22)2-4-10(12)13/h1-6H,C14H6N2O6,,,,,,XFLONXIGNOXKCG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.170,210-086-3,605-45-8,Diisopropyl phthalate,diisopropyl phthalate,CC(C)OC(=O)c1ccccc1C(=O)OC(C)C,CC(C)OC(=O)c1ccccc1C(=O)OC(C)C,"InChI=1/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3",C14H18O4,,,,,,QWDBCIAVABMJPP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.172,210-088-4,605-50-5,Diisopentyl phthalate,bis(3-methylbutyl) phthalate,CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C,CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C,"InChI=1/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3",C18H26O4,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1700,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.172,JANBFCARANRIKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.175,210-092-6,605-65-2,5-dimethylaminonaphthalene-1-sulphonyl chloride,5-(dimethylamino)naphthalene-1-sulfonyl chloride,CN(C)c1cccc2c(cccc12)S(=O)(=O)Cl,CN(C)c1cccc2c(cccc12)S(=O)(=O)Cl,"InChI=1/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3",C12H12ClNO2S,,,,,,XPDXVDYUQZHFPV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.180,210-097-3,605-88-9,2-methylbenzo[h]quinoline,2-methylbenzo[h]quinoline,Cc1ccc2ccc3ccccc3c2n1,Cc1ccc2ccc3ccccc3c2n1,"InChI=1/C14H11N/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(12)15-10/h2-9H,1H3",C14H11N,,,,,,NFXIDKHEPSPXNF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.185,210-102-9,606-03-1,"1,3,5-tribenzyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione",O=C1N(Cc2ccccc2)C(=O)N(Cc3ccccc3)C(=O)N1Cc4ccccc4,O=C1N(Cc2ccccc2)C(=O)N(Cc3ccccc3)C(=O)N1Cc4ccccc4,"InChI=1/C24H21N3O3/c28-22-25(16-19-10-4-1-5-11-19)23(29)27(18-21-14-8-3-9-15-21)24(30)26(22)17-20-12-6-2-7-13-20/h1-15H,16-18H2",C24H21N3O3,,,,,,PIBKGXNSYQOGKL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.188,210-106-0,606-20-2,"2,6-dinitrotoluene","2-methyl-1,3-dinitrobenzene",Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3",C7H6N2O4,,,,,,XTRDKALNCIHHNI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.421,208-162-6,513-44-0,2-methylpropane-1-thiol,2-methylpropane-1-thiol,CC(C)CS,CC(C)CS,"InChI=1/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3",C4H10S,,,,,,BDFAOUQQXJIZDG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.431,208-173-6,513-85-9,"Butane-2,3-diol","butane-2,3-diol",CC(O)C(C)O,CC(O)C(C)O,"InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3",C4H10O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10060,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.431,OWBTYPJTUOEWEK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.432,208-174-1,513-86-0,Acetoin,3-hydroxybutan-2-one,CC(O)C(=O)C,CC(O)C(=O)C,"InChI=1/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3",C4H8O2,,,,,,ROWKJAVDOGWPAT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.433,208-175-7,513-88-2,"1,1-dichloroacetone","1,1-dichloroacetone",CC(=O)C(Cl)Cl,CC(=O)C(Cl)Cl,"InChI=1/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3",C3H4Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17140,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.433,CSVFWMMPUJDVKH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.439,208-182-5,514-51-2,"[1S-(1a,4a,7a)]-1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene","1,4,9,9-tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene",CC1CCC2=C1CC3CCC2(C)C3(C)C,CC1CCC2=C1CC3CCC2(C)C3(C)C,"InChI=1/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3",C15H24,,,,,,CSKINCSXMLCMAR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.445,208-188-8,514-85-2,9-cis-retinal,retinal,CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,"InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3",C20H28O,,,,,,NCYCYZXNIZJOKI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.450,208-194-0,515-03-7,"[1R-[1a(R*),2ß,4aß,8aa]]-2-hydroxy-a,2,5,5,8a-pentamethyl-a-vinyldecahydronaphthalene-1-propan-1-ol","1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol",CC(O)(CCC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C,CC(O)(CCC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C,"InChI=1/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3",C20H36O2,,,,,,XVULBTBTFGYVRC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.456,208-200-1,515-46-8,Ethyl benzenesulphonate,ethyl benzenesulfonate,CCOS(=O)(=O)c1ccccc1,CCOS(=O)(=O)c1ccccc1,"InChI=1/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8H10O3S,,,,,,XDRMBCMMABGNMM-UHFFFAOYSA-N,,,,,,,,,,,
100.011.636,212-799-5,870-63-3,1-bromo-3-methylbut-2-ene,1-bromo-3-methylbut-2-ene,CC(=CCBr)C,CC(=CCBr)C,"InChI=1/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3",C5H9Br,,,,,,LOYZVRIHVZEDMW-UHFFFAOYSA-N,,,,,,,,,,,
100.011.639,212-803-5,870-93-9,DL-homocystine,"4,4'-disulfanediylbis(2-aminobutanoic acid)",NC(CCSSCCC(N)C(O)=O)C(O)=O,NC(CCSSCCC(N)C(O)=O)C(O)=O,"InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)",C8H16N2O4S2,,,,,,ZTVZLYBCZNMWCF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.642,212-806-1,871-37-4,(carboxymethyl)dimethyloleylammonium hydroxide,"N-(carboxymethyl)-N,N-dimethyloctadec-9-en-1-aminium hydroxide",[OH-].CCCCCCCC\\C=C/CCCCCCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(C)CC(=O)O,"InChI=1/C22H43NO2.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25;/h11-12H,4-10,13-21H2,1-3H3;1H2",C22H43NO2,,,,,,YIOHILISQLOJJV-AFEZEDKISA-N,,,,,,,,,,,
100.011.659,212-825-5,872-36-6,Vinylene carbonate,"1,3-dioxol-2-one",O=C1O\\C=C/O1,O=C1O\C=C/O1,InChI=1/C3H2O3/c4-3-5-1-2-6-3/h1-2H,C3H2O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10740,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.659,VAYTZRYEBVHVLE-UHFFFAOYSA-N,,,,,,,,,,,
100.011.660,212-826-0,872-45-7,"2,3-dihydro-1-methyl-1H-phosphole 1-oxide","1-methyl-2,3-dihydro-1H-phosphole 1-oxide",CP1(=O)CCC=C1,CP1(=O)CCC=C1,"InChI=1/C5H9OP/c1-7(6)4-2-3-5-7/h2,4H,3,5H2,1H3",C5H9OP,,,,,,IUUONVQOMMQAEH-UHFFFAOYSA-N,,,,,,,,,,,
100.011.661,212-827-6,872-49-1,5-chloro-1-methyl-1H-imidazole,5-chloro-1-methyl-1H-imidazole,Cn1cncc1Cl,Cn1cncc1Cl,"InChI=1/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3",C4H5ClN2,,,,,,NYDGOZPYEABERA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.663,212-829-7,872-53-7,Cyclopentanecarbaldehyde,cyclopentanecarbaldehyde,O=CC1CCCC1,O=CC1CCCC1,"InChI=1/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2",C6H10O,,,,,,VELDYOPRLMJFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.672,212-839-1,873-49-4,Cyclopropylbenzene,cyclopropylbenzene,C1CC1c2ccccc2,C1CC1c2ccccc2,"InChI=1/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2",C9H10,,,,,,VFSFCYAQBIPUSL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.533,213-786-7,1011-73-0,"Sodium 2,4-dinitrophenoxide","sodium 2,4-dinitrophenolate",[Na+].[O-]c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],[Na+].[O-]c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5.Na/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h1-3,9H;/q;+1/p-1",C6H4N2O5.Na,,,,,,JMOHQJVXBQAVNW-UHFFFAOYSA-M,,,,,,,,,,,
100.012.535,213-788-8,1011-92-3,a-cyanocinnamic acid,2-cyano-3-phenylacrylic acid,OC(=O)\\C(=C\\c1ccccc1)\\C#N,OC(=O)\C(=C\c1ccccc1)\C#N,"InChI=1/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)",C10H7NO2,,,,,,CDUQMGQIHYISOP-RMKNXTFCSA-N,,,,,,,,,,,
100.012.536,213-789-3,1012-12-0,p-[(trimethylsilyl)oxy]benzaldehyde,4-[(trimethylsilyl)oxy]benzaldehyde,C[Si](C)(C)Oc1ccc(C=O)cc1,C[Si](C)(C)Oc1ccc(C=O)cc1,"InChI=1/C10H14O2Si/c1-13(2,3)12-10-6-4-9(8-11)5-7-10/h4-8H,1-3H3",C10H14O2Si,,,,,,FLVQNLXVIRUAPB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.537,213-790-9,1012-72-2,"1,4-di-tert-butylbenzene","1,4-di-tert-butylbenzene",CC(C)(C)c1ccc(cc1)C(C)(C)C,CC(C)(C)c1ccc(cc1)C(C)(C)C,"InChI=1/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3",C14H22,,,,,,OOWNNCMFKFBNOF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.542,213-796-1,1013-75-8,Ethyl ethyl(phenyl)carbamate,ethyl ethyl(phenyl)carbamate,CCOC(=O)N(CC)c1ccccc1,CCOC(=O)N(CC)c1ccccc1,"InChI=1/C11H15NO2/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C11H15NO2,,,,,,XEFYPTRGVWLMHB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.544,213-798-2,1014-05-7,"1-(3,4-xylyl)piperazine","2-(3,4-dimethylphenyl)piperidine",Cc1ccc(cc1C)C2CCCCN2,Cc1ccc(cc1C)C2CCCCN2,"InChI=1/C13H19N/c1-10-6-7-12(9-11(10)2)13-5-3-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3",C12H18N2,,,,,,QTUJZPRAUZIQPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.547,213-801-7,1014-70-6,Simetryn,"N,N'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CCNc1nc(NCC)nc(SC)n1,CCNc1nc(NCC)nc(SC)n1,"InChI=1/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)",C8H15N5S,,,,,,MGLWZSOBALDPEK-UHFFFAOYSA-N,Positive,SM840401;UF402101|UF402102|UF402103|UF402104,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,214.112:124.0869:96.0556;214.1122:124.0869:144.0591|96.0555:116.0276:124.0868|214.1119:124.0869:186.0807|124.0868:186.0806:166.1086,CASMI_2016;UFZ,,,,,
100.012.548,213-802-2,1014-81-9,3-(trifluoromethoxy)benzoic acid,3-(trifluoromethoxy)benzoic acid,OC(=O)c1cccc(OC(F)(F)F)c1,OC(=O)c1cccc(OC(F)(F)F)c1,"InChI=1/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)",C8H5F3O3,,,,,,OKPFIWIMBJNFSE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.549,213-803-8,1015-55-0,"3,4-dihydro-5,8-dimethoxynaphthalen-1(2H)-one","5,8-dimethoxy-3,4-dihydronaphthalen-1(2H)-one",COc1ccc(OC)c2C(=O)CCCc12,COc1ccc(OC)c2C(=O)CCCc12,"InChI=1/C12H14O3/c1-14-10-6-7-11(15-2)12-8(10)4-3-5-9(12)13/h6-7H,3-5H2,1-2H3",C12H14O3,,,,,,VAMWBRIIBYQTGS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.553,213-808-5,1016-77-9,3-bromobenzophenone,(3-bromophenyl)(phenyl)methanone,Brc1cccc(c1)C(=O)c2ccccc2,Brc1cccc(c1)C(=O)c2ccccc2,InChI=1/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,C13H9BrO,,,,,,XNUMUNIJQMSNNN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.556,213-811-1,1018-36-6,"2,5-dihydro-1-[(p-tolyl)sulphonyl]-1H-pyrazol-3-amine","1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrazol-3-amine",Cc1ccc(cc1)S(=O)(=O)N2CC=C(N)N2,Cc1ccc(cc1)S(=O)(=O)N2CC=C(N)N2,"InChI=1/C10H13N3O2S/c1-8-2-4-9(5-3-8)16(14,15)13-7-6-10(11)12-13/h2-6,12H,7,11H2,1H3",C10H13N3O2S,,,,,,UCIBQVQNLBVGFW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.163,207-878-6,499-20-7,(S)-(ß-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile,(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile,OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2",C14H17NO7,,,,,,NVLTYOJHPBMILU-YOVYLDAJSA-N,,,,,,,,,,,
100.007.166,207-881-2,499-49-0,5-methylisophthalic acid,5-methylisophthalic acid,Cc1cc(cc(c1)C(=O)O)C(=O)O,Cc1cc(cc(c1)C(=O)O)C(=O)O,"InChI=1/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)",C9H8O4,,,,,,PMZBHPUNQNKBOA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.167,207-882-8,499-54-7,7-isopropyl-4-methyloxepan-2-one,7-isopropyl-4-methyloxepan-2-one,CC(C)C1CCC(C)CC(=O)O1,CC(C)C1CCC(C)CC(=O)O1,"InChI=1/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3",C10H18O2,,,,,,GGAXPLCKKANQED-UHFFFAOYSA-N,,,,,,,,,,,
100.007.169,207-884-9,499-67-2,Proxymetacaine,2-(diethylamino)ethyl 3-amino-4-propoxybenzoate,CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC,CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC,"InChI=1/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",C16H26N2O3,,,,,,KCLANYCVBBTKTO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.179,207-895-9,499-97-8,1-methylene-4-(1-methylvinyl)cyclohexane,1-isopropenyl-4-methylenecyclohexane,CC(=C)C1CCC(=C)CC1,CC(=C)C1CCC(=C)CC1,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3",C10H16,,,,,,GOQRXDTWKVYHJH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.181,207-898-5,500-02-7,4-isopropylcyclohex-2-en-1-one,4-isopropylcyclohex-2-en-1-one,CC(C)C1CCC(=O)C=C1,CC(C)C1CCC(=O)C=C1,"InChI=1/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3",C9H14O,,,,,,AANMVENRNJYEMK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.182,207-899-0,500-05-0,2-oxopyran-5-carboxylic acid,2-oxo-2H-pyran-5-carboxylic acid,OC(=O)C1=COC(=O)C=C1,OC(=O)C1=COC(=O)C=C1,"InChI=1/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)",C6H4O4,,,,,,ORGPJDKNYMVLFL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.187,207-905-1,500-44-7,(S)-a-amino-3-hydroxy-4-oxo-1(4H)-pyridylpropionic acid,3-(3-hydroxy-4-oxopyridin-1(4H)-yl)alanine,NC(CN1C=CC(=O)C(=C1)O)C(=O)O,NC(CN1C=CC(=O)C(=C1)O)C(=O)O,"InChI=1/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)",C8H10N2O4,,,,,,WZNJWVWKTVETCG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.188,207-906-7,500-55-0,Apoatropine,8-methyl-8-azabicyclo[3.2.1]oct-3-yl atropate,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(=C)c3ccccc3,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(=C)c3ccccc3,"InChI=1/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3",C17H21NO2,,,,,,WPUIZWXOSDVQJU-ZSHCYNCHSA-N,,,,,,,,,,,
100.007.189,207-907-2,500-64-1,"[R-(E)]-5,6-dihydro-4-methoxy-6-styryl-2H-pyran-2-one","4-methoxy-6-(2-phenylvinyl)-5,6-dihydro-2H-pyran-2-one",COC1=CC(=O)O[C@H](C1)\\C=C\\c2ccccc2,COC1=CC(=O)O[C@H](C1)\C=C\c2ccccc2,"InChI=1/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3",C14H14O3,,,,,,XEAQIWGXBXCYFX-GUOLPTJISA-N,,,,,,,,,,,
100.007.190,207-908-8,500-66-3,5-pentylresorcinol,"5-pentylbenzene-1,3-diol",CCCCCc1cc(O)cc(O)c1,CCCCCc1cc(O)cc(O)c1,"InChI=1/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",C11H16O2,,,,,,IRMPFYJSHJGOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.195,207-914-0,500-89-0,Thiambutosine,1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]thiourea,CCCCOc1ccc(NC(=S)Nc2ccc(cc2)N(C)C)cc1,CCCCOc1ccc(NC(=S)Nc2ccc(cc2)N(C)C)cc1,"InChI=1/C19H25N3OS/c1-4-5-14-23-18-12-8-16(9-13-18)21-19(24)20-15-6-10-17(11-7-15)22(2)3/h6-13H,4-5,14H2,1-3H3,(H2,20,21,24)",C19H25N3OS,,,,,,JYCBKPOKWDDOOV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.200,207-919-8,501-15-5,4-(2-methylaminoethyl)pyrocatechol,"4-[2-(methylamino)ethyl]benzene-1,2-diol",CNCCc1ccc(O)c(O)c1,CNCCc1ccc(O)c(O)c1,"InChI=1/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3",C9H13NO2,,,,,,NGKZFDYBISXGGS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.692,209-559-7,585-70-6,5-bromo-2-furanecarboxylic acid,5-bromo-2-furoic acid,OC(=O)c1oc(Br)cc1,OC(=O)c1oc(Br)cc1,"InChI=1/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)",C5H3BrO3,,,,,,YVTQHZDUDUCGRD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.694,209-561-8,585-74-0,3-methylacetophenone,1-(3-methylphenyl)ethanone,CC(=O)c1cccc(C)c1,CC(=O)c1cccc(C)c1,"InChI=1/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3",C9H10O,,,,,,FSPSELPMWGWDRY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.695,209-562-3,585-76-2,3-bromobenzoic acid,3-bromobenzoic acid,OC(=O)c1cccc(Br)c1,OC(=O)c1cccc(Br)c1,"InChI=1/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",C7H5BrO2,,,,,,VOIZNVUXCQLQHS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.702,209-570-7,586-27-6,3-(isopropyl)-6-methylcyclohex-2-en-1-ol,3-isopropyl-6-methylcyclohex-2-en-1-ol,CC(C)C1=CC(O)C(C)CC1,CC(C)C1=CC(O)C(C)CC1,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8,10-11H,4-5H2,1-3H3",C10H18O,,,,,,WEJSIMPWEOUMJB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.705,209-573-3,586-37-8,3-methoxyacetophenone,1-(3-methoxyphenyl)ethanone,COc1cccc(c1)C(=O)C,COc1cccc(c1)C(=O)C,"InChI=1/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3",C9H10O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17382,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.705,BAYUSCHCCGXLAY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.460,208-204-3,515-64-0,Sulfisomidine,"4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide",Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,"InChI=1/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",C12H14N4O2S,,,,,,YZMCKZRAOLZXAZ-UHFFFAOYSA-N,Positive,mzcloud:2200,[M+Na]+;[M+H]+,HCD_Averaged,65.0386:66.03383:68.0495:80.04947:83.0604:92.0495:108.0444:110.0600:124.0869:156.01137:186.03316:204.0431,HighChem,,,,,
100.008.264,209-089-2,555-30-6,Methyldopa,3-hydroxy-alpha-methyl-L-tyrosine,Oc1ccc(C[C@](C)(N)C(O)=O)cc1O,Oc1ccc(C[C@](C)(N)C(O)=O)cc1O,"InChI=1/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)",C10H13NO4,,,,,,CJCSPKMFHVPWAR-JTQLQIEISA-N,,,,,,,,,,,
100.008.266,209-091-3,555-32-8,Aluminium tribenzoate,aluminum tribenzoate,[Al+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,[Al+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,"InChI=1/3C7H6O2.Al/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3",C7H6O2.1/3Al,,,,,,CSJKPFQJIDMSGF-UHFFFAOYSA-K,,,,,,,,,,,
100.008.267,209-092-9,555-34-0,Trisodium trioxalatoferrate,trisodium tris[ethanedioato(2-)-kappaO~1~]ferrate(3-),[Na+].[Na+].[Na+].O=C([O-])C(=O)O[Fe](OC(=O)C([O-])=O)OC(=O)C([O-])=O,[Na+].[Na+].[Na+].O=C([O-])C(=O)O[Fe](OC(=O)C([O-])=O)OC(=O)C([O-])=O,"InChI=1/3C2H2O4.Fe.3Na/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;;;/q;;;+3;3*+1/p-6",C2H2O4.1/3Fe.Na,,,,,,XIPRSXSGWQCSHH-UHFFFAOYSA-H,,,,,,,,,,,
100.008.274,209-100-0,555-48-6,2-amino-N-phenylacetamide,N-phenylglycinamide,NCC(=O)Nc1ccccc1,NCC(=O)Nc1ccccc1,"InChI=1/C8H10N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)",C8H10N2O,,,,,,QRKJNCRCYBKANP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.275,209-101-6,555-57-7,Pargyline,N-benzyl-N-methylprop-2-yn-1-amine,CN(CC#C)Cc1ccccc1,CN(CC#C)Cc1ccccc1,"InChI=1/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3",C11H13N,,,,,,DPWPWRLQFGFJFI-UHFFFAOYSA-N,Positive,EQ300401|EQ300402|EQ300403|EQ300404|EQ300405|EQ300406;ET140001|ET140002|ET140003|ET140004|ET140005,[M+H]+;[M+H]+,"HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",91.0543:160.1121:129.0699|91.0542:160.1121:129.0699|91.0542:160.1121:129.0699|91.0542:129.0699:68.0495|91.0543:65.0386:128.0621|91.0543:65.0386:128.0621;91.0543:65.0389:128.0622|91.0543:160.1122:129.07|91.0543:160.1123:129.0699|91.0543:160.1122:129.0699|91.0543:65.0389:68.0498,Eawag;Eawag_Additional_Specs,,,,,
100.008.298,209-126-2,556-48-9,"Cyclohexane-1,4-diol","cyclohexane-1,4-diol",OC1CCC(O)CC1,OC1CCC(O)CC1,"InChI=1/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2",C6H12O2,,,,,,VKONPUDBRVKQLM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.301,209-129-9,556-53-6,Propylammonium chloride,propan-1-aminium chloride,[Cl-].CCC[NH3+],[Cl-].CCC[NH3+],"InChI=1/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H",C3H9N.ClH,,,,,,PYNUOAIJIQGACY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.304,209-133-0,556-63-8,Lithium formate,lithium formate,[Li+].[O-]C=O,[Li+].[O-]C=O,"InChI=1/CH2O2.Li/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",CH2O2.Li,,,,,,XKPJKVVZOOEMPK-UHFFFAOYSA-M,,,,,,,,,,,
100.008.308,209-137-2,556-68-3,Hexadecamethylcyclooctasiloxane,hexadecamethylcyclooctasiloxane,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1/C16H48O8Si8/c1-25(2)17-26(3,4)19-28(7,8)21-30(11,12)23-32(15,16)24-31(13,14)22-29(9,10)20-27(5,6)18-25/h1-16H3",C16H48O8Si8,,,,,,XKJMJYZFAWYREL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.313,209-143-5,556-88-7,1-nitroguanidine,1-nitroguanidine,NC(=N)N[N+](=O)[O-],NC(=N)N[N+](=O)[O-],"InChI=1/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)",CH4N4O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13550,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.313,IDCPFAYURAQKDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.315,209-145-6,556-90-1,"2-imino-1,3-thiazol-4-one","2-imino-1,3-thiazolidin-4-one",N=C1NC(=O)CS1,N=C1NC(=O)CS1,"InChI=1/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)",C3H4N2OS,,,,,,HYMJHROUVPWYNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.316,209-146-1,556-91-2,Aluminium tri-tert-butanolate,aluminum tris(2-methylpropan-2-olate),CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C,CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C,"InChI=1/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3/rC12H27AlO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3",C4H10O.1/3Al,,,,,,MDDPTCUZZASZIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.317,209-147-7,556-99-0,Triuret,tricarbonodiimidic diamide,NC(=O)NC(=O)NC(=O)N,NC(=O)NC(=O)NC(=O)N,"InChI=1/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10)",C3H6N4O3,,,,,,WNVQBUHCOYRLPA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.319,209-149-8,557-01-7,1H-pyrimidin-2-one,pyrimidin-2(1H)-one,O=C1NC=CC=N1,O=C1NC=CC=N1,"InChI=1/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)",C4H4N2O,,,,,,VTGOHKSTWXHQJK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.627,207-288-9,459-32-5,4-fluorocinnamic acid,3-(4-fluorophenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(F)cc1,OC(=O)\C=C\c1ccc(F)cc1,"InChI=1/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)",C9H7FO2,,,,,,ISMMYAZSUSYVQG-ZZXKWVIFSA-N,,,,,,,,,,,
100.006.628,207-289-4,459-44-9,4-methylbenzenediazonium tetrafluoroborate,4-methylbenzenediazonium tetrafluoroborate,Cc1ccc(cc1)[N+]#N.F[B-](F)(F)F,Cc1ccc(cc1)[N+]#N.F[B-](F)(F)F,"InChI=1/C7H7N2.BF4/c1-6-2-4-7(9-8)5-3-6;2-1(3,4)5/h2-5H,1H3;/q+1;-1",C7H7N2.BF4,,,,,,ISOJODWLDZSAPV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.629,207-291-5,459-46-1,a-bromo-p-fluorotoluene,1-(bromomethyl)-4-fluorobenzene,Fc1ccc(CBr)cc1,Fc1ccc(CBr)cc1,"InChI=1/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",C7H6BrF,,,,,,NVNPLEPBDPJYRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.632,207-294-1,459-59-6,4-fluoro-N-methylaniline,4-fluoro-N-methylaniline,CNc1ccc(F)cc1,CNc1ccc(F)cc1,"InChI=1/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3",C7H8FN,,,,,,VLWRKVBQUANIGI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.808,208-587-7,534-12-3,Disodium carboxylatemethanide,sodium (carboxylatomethyl)sodium,[Na]CC(=O)O[Na],[Na]CC(=O)O[Na],"InChI=1/C2H3O2.2Na/c1-2(3)4;;/h1H2,(H,3,4);;/q;;+1/p-1/rC2H3NaO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",C2H3O2.Na.Na,,,,,,JQGWFDYYHHXUKB-UHFFFAOYSA-M,,,,,,,,,,,
100.007.811,208-590-3,534-16-7,Silver carbonate,disilver(1+) carbonate,[Ag+].[Ag+].[O-]C(=O)[O-],[Ag+].[Ag+].[O-]C(=O)[O-],"InChI=1/CH2O3.2Ag/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CH2O3.2Ag,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5603,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.811,KQTXIZHBFFWWFW-UHFFFAOYSA-L,,,,,,,,,,,
100.007.812,208-591-9,534-17-8,Caesium carbonate,dicaesium carbonate,[Cs+].[Cs+].[O-]C(=O)[O-],[Cs+].[Cs+].[O-]C(=O)[O-],"InChI=1/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CH2O3.2Cs,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11170,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.812,FJDQFPXHSGXQBY-UHFFFAOYSA-L,,,,,,,,,,,
100.007.813,208-592-4,534-18-9,Sodium trithiocarbonate,sodium trithiocarbonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)[S-].[O-]C(=O)[S-].[O-]C(=O)[S-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)[S-].[O-]C(=O)[S-].[O-]C(=O)[S-],"InChI=1/3CH2O2S.6Na/c3*2-1(3)4;;;;;;/h3*4H,(H,2,3);;;;;;/q;;;6*+1/p-6",CH2S3.2Na,,,,,,JKEXWWBWQIUDJJ-UHFFFAOYSA-H,,,,,,,,,,,
100.007.818,208-598-7,534-34-9,"Exo-1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol","1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)CC2(C)CC1CC2O,CC1(C)CC2(C)CC1CC2O,"InChI=1/C10H18O/c1-9(2)6-10(3)5-7(9)4-8(10)11/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,QNNGNRWQCQDOMF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.819,208-599-2,534-35-0,"Endo-1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol","1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)CC2(C)CC1CC2O,CC1(C)CC2(C)CC1CC2O,"InChI=1/C10H18O/c1-9(2)6-10(3)5-7(9)4-8(10)11/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,QNNGNRWQCQDOMF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.832,208-613-7,535-34-2,S-(2-amino-2-carboxyethyl)-DL-homocysteine,S-(2-amino-2-carboxyethyl)homocysteine,NC(CSCCC(N)C(O)=O)C(O)=O,NC(CSCCC(N)C(O)=O)C(O)=O,"InChI=1/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)",C7H14N2O4S,,,,,,ILRYLPWNYFXEMH-UHFFFAOYSA-N,Positive/Negative,ML003001,[M+H]+,HCD50,134.0266:88.0212:102.0547,MetaboLights,ML003051,[M-H]-,HCD50,134.0282:221.0601:120.0125,MetaboLights
100.007.833,208-614-2,535-37-5,Gold tricyanide,gold tricyanide,[Au+].[Au+].[Au+].[C-]#N.[C-]#N.[C-]#N,[Au+].[Au+].[Au+].[C-]#N.[C-]#N.[C-]#N,InChI=1/3CN.3Au/c3*1-2;;;/q3*-1;3*+1,C3AuN3,,,,,,HDCBBMBZRVMWMA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.835,208-616-3,535-75-1,Piperidine-2-carboxylic acid,piperidine-2-carboxylic acid,OC(=O)C1CCCCN1,OC(=O)C1CCCCN1,"InChI=1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)",C6H11NO2,,,,,,HXEACLLIILLPRG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.836,208-617-9,535-77-3,m-cymene,1-isopropyl-3-methylbenzene,CC(C)c1cccc(C)c1,CC(C)c1cccc(C)c1,"InChI=1/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3",C10H14,,,,,,XCYJPXQACVEIOS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.838,208-620-5,535-83-1,1-methylpyridinio-3-carboxylate,1-methylpyridinium-3-carboxylate,C[n+]1cccc(c1)C(=O)[O-],C[n+]1cccc(c1)C(=O)[O-],"InChI=1/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3",C7H7NO2,,,,,,WWNNZCOKKKDOPX-UHFFFAOYSA-N,Positive,ML005201,[M+H]+,HCD50,138.0554:94.0654:92.0497,MetaboLights,,,,,
100.007.845,208-627-3,536-25-4,Methyl 3-amino-4-hydroxybenzoate,methyl 3-amino-4-hydroxybenzoate,COC(=O)c1ccc(O)c(N)c1,COC(=O)c1ccc(O)c(N)c1,"InChI=1/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3",C8H9NO3,,,,,,VNQABZCSYCTZMS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.849,208-632-0,536-40-3,4-chlorobenzohydrazide,4-chlorobenzohydrazide,NNC(=O)c1ccc(Cl)cc1,NNC(=O)c1ccc(Cl)cc1,"InChI=1/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)",C7H7ClN2O,,,,,,PKBGHORNUFQAAW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.851,208-634-1,536-45-8,Sodium anisate,sodium 4-methoxybenzoate,[Na+].COc1ccc(cc1)C(=O)[O-],[Na+].COc1ccc(cc1)C(=O)[O-],"InChI=1/C8H8O3.Na/c1-11-7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H,9,10);/q;+1/p-1",C8H8O3.Na,,,,,,AETSDHMVQHOYPB-UHFFFAOYSA-M,,,,,,,,,,,
100.007.855,208-638-3,536-57-2,Toluene-4-sulphinic acid,4-methylbenzenesulfinic acid,Cc1ccc(cc1)S(=O)O,Cc1ccc(cc1)S(=O)O,"InChI=1/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)",C7H8O2S,,,,,,FXJVNINSOKCNJP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.856,208-639-9,536-59-4,4-isopropenylcyclohex-1-en-1-ylmethanol,(4-isopropenylcyclohex-1-en-1-yl)methanol,CC(=C)C1CCC(=CC1)CO,CC(=C)C1CCC(=CC1)CO,"InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3",C10H16O,,,,,,NDTYTMIUWGWIMO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.788,209-665-3,589-92-4,4-methylcyclohexanone,4-methylcyclohexanone,CC1CCC(=O)CC1,CC1CCC(=O)CC1,"InChI=1/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3",C7H12O,,,,,,VGVHNLRUAMRIEW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.789,209-666-9,589-93-5,"2,5-dimethylpyridine","2,5-dimethylpyridine",Cc1ccc(C)nc1,Cc1ccc(C)nc1,"InChI=1/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3",C7H9N,,,,,,XWKFPIODWVPXLX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.791,209-669-5,590-01-2,Butyl propionate,butyl propionate,CCCCOC(=O)CC,CCCCOC(=O)CC,"InChI=1/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3",C7H14O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17222,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.791,BTMVHUNTONAYDX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.792,209-670-0,590-02-3,Butyl chloroacetate,butyl chloroacetate,CCCCOC(=O)CCl,CCCCOC(=O)CCl,"InChI=1/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3",C6H11ClO2,,,,,,YJRGMUWRPCPLNH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.560,213-815-3,1020-16-2,3-morpholinopropiophenone hydrochloride,3-morpholin-4-yl-1-phenylpropan-1-one hydrochloride,Cl.O=C(CCN1CCOCC1)c2ccccc2,Cl.O=C(CCN1CCOCC1)c2ccccc2,"InChI=1/C13H17NO2.ClH/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;/h1-5H,6-11H2;1H",C13H17NO2.ClH,,,,,,BEUAFINDWSQCGS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.564,213-820-0,1021-91-6,"5H-dibenzo[a,d]cyclohepten-5-one oxime","5H-dibenzo[a,d][7]annulen-5-one oxime",ON=C1c2ccccc2C=Cc3ccccc13,ON=C1c2ccccc2C=Cc3ccccc13,"InChI=1/C15H11NO/c17-16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,17H",C15H11NO,,,,,,LRBLEEPNJOPXOB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.565,213-821-6,1022-07-7,"N-methyl-2,4,6-trinitroaniline","N-methyl-2,4,6-trinitroaniline",CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N4O6/c1-8-7-5(10(14)15)2-4(9(12)13)3-6(7)11(16)17/h2-3,8H,1H3",C7H6N4O6,,,,,,CFYAUGJHWXGWHI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.569,213-825-8,1023-85-4,"3-methyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one hydrochloride","3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",CN1CN(c2ccccc2)C3(CCNCC3)C1=O,CN1CN(c2ccccc2)C3(CCNCC3)C1=O,"InChI=1/C14H19N3O/c1-16-11-17(12-5-3-2-4-6-12)14(13(16)18)7-9-15-10-8-14/h2-6,15H,7-11H2,1H3",C14H19N3O.ClH,,,,,,IGPACMIJADAUNA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.572,213-828-4,1024-11-9,1-benzyl-4-(methylamino)piperidine-4-carboxamide,1-benzyl-4-(methylamino)piperidine-4-carboxamide,CNC1(CCN(Cc2ccccc2)CC1)C(=O)N,CNC1(CCN(Cc2ccccc2)CC1)C(=O)N,"InChI=1/C14H21N3O/c1-16-14(13(15)18)7-9-17(10-8-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3,(H2,15,18)",C14H21N3O,,,,,,YSCWOBPZXSXBGB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.575,213-832-6,1024-58-4,"1-phenyl-1,3-bis(trimethylsilyl)urea","1-phenyl-1,3-bis(trimethylsilyl)urea",C[Si](C)(C)NC(=O)N(c1ccccc1)[Si](C)(C)C,C[Si](C)(C)NC(=O)N(c1ccccc1)[Si](C)(C)C,"InChI=1/C13H24N2OSi2/c1-17(2,3)14-13(16)15(18(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,14,16)",C13H24N2OSi2,,,,,,DSSADGQCTDYPMP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.578,213-835-2,1026-92-2,Diallyl terephthalate,diallyl terephthalate,C=CCOC(=O)c1ccc(cc1)C(=O)OCC=C,C=CCOC(=O)c1ccc(cc1)C(=O)OCC=C,"InChI=1/C14H14O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h3-8H,1-2,9-10H2",C14H14O4,,,,,,ZDNFTNPFYCKVTB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.579,213-836-8,1027-14-1,"2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide monohydrochloride","N~2~,N~2~-diethyl-N-mesitylglycinamide hydrochloride",Cl.CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,Cl.CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,"InChI=1/C15H24N2O.ClH/c1-6-17(7-2)10-14(18)16-15-12(4)8-11(3)9-13(15)5;/h8-9H,6-7,10H2,1-5H3,(H,16,18);1H",C15H24N2O.ClH,,,,,,KOOGJYYOMPUGCW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.580,213-837-3,1027-28-7,"N-acetyl-3,5-diiodo-L-tyrosine","N-acetyl-3,5-diiodo-L-tyrosine",CC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,CC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,"InChI=1/C11H11I2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)",C11H11I2NO4,,,,,,CDXURJOCZAIXFK-VIFPVBQESA-N,,,,,,,,,,,
100.012.359,213-594-3,992-59-6,"Disodium 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo)bis(4-aminonaphthalene-1-sulphonate)","disodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonate)",[Na+].[Na+].Cc1cc(ccc1N=Nc2cc(c3ccccc3c2N)S(=O)(=O)[O-])c4ccc(N=Nc5cc(c6ccccc6c5N)S(=O)(=O)[O-])c(C)c4,[Na+].[Na+].Cc1cc(ccc1N=Nc2cc(c3ccccc3c2N)S(=O)(=O)[O-])c4ccc(N=Nc5cc(c6ccccc6c5N)S(=O)(=O)[O-])c(C)c4,"InChI=1/C34H28N6O6S2.2Na/c1-19-15-21(11-13-27(19)37-39-29-17-31(47(41,42)43)23-7-3-5-9-25(23)33(29)35)22-12-14-28(20(2)16-22)38-40-30-18-32(48(44,45)46)24-8-4-6-10-26(24)34(30)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H28N6O6S2.2Na,,,,,,SUXCALIDMIIJCK-UHFFFAOYSA-L,,,,,,,,,,,
100.012.360,213-595-9,992-67-6,S-but-2-enoylcoenzyme A,7-{5-O-[(3-{[2-(but-2-enoylsulfanyl)ethyl]amino}-3-oxopropoxy)(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-7H-purin-6-amine,CC=CC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3ncnc(N)c23,CC=CC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3ncnc(N)c23,"InChI=1/C19H28N6O12P2S/c1-2-3-13(27)40-7-5-21-12(26)4-6-34-39(32,33)35-8-11-16(37-38(29,30)31)15(28)19(36-11)25-10-24-18-14(25)17(20)22-9-23-18/h2-3,9-11,15-16,19,28H,4-8H2,1H3,(H,21,26)(H,32,33)(H2,20,22,23)(H2,29,30,31)",C25H40N7O17P3S,,,,,,GJFKBKCMJOXEKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.366,213-603-0,993-07-7,Trimethylsilane,trimethylsilane,C[SiH](C)C,C[SiH](C)C,"InChI=1/C3H10Si/c1-4(2)3/h4H,1-3H3",C3H10Si,,,,,,PQDJYEQOELDLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.367,213-604-6,993-10-2,Trichloromethylgermane,(trichloromethyl)germane,ClC(Cl)(Cl)[Ge],ClC(Cl)(Cl)[Ge],"InChI=1/CCl3Ge/c2-1(3,4)5/q+3",CH3Cl3Ge,,,,,,TYSSWEJEOFKGFN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.373,213-610-9,993-50-0,(dimethylamino)trimethylstannane,"N,N,1,1,1-pentamethylstannanamine",CN(C)[Sn](C)(C)C,CN(C)[Sn](C)(C)C,"InChI=1/C2H6N.3CH3.Sn/c1-3-2;;;;/h1-2H3;3*1H3;/q-1;;;;+1/rC5H15NSn/c1-6(2)7(3,4)5/h1-5H3",C5H15NSn,,,,,,HQFPMGPCIKGRON-UHFFFAOYSA-N,,,,,,,,,,,
100.008.707,209-575-4,586-39-0,3-nitrostyrene,1-nitro-3-vinylbenzene,[O-][N+](=O)c1cccc(C=C)c1,[O-][N+](=O)c1cccc(C=C)c1,"InChI=1/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2",C8H7NO2,,,,,,SYZVQXIUVGKCBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.709,209-578-0,586-62-9,"p-mentha-1,4(8)-diene",4-isopropylidene-1-methylcyclohexene,CC(=C1CCC(=CC1)C)C,CC(=C1CCC(=CC1)C)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",C10H16,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10412,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.709,MOYAFQVGZZPNRA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.711,209-580-1,586-75-4,4-bromobenzoyl chloride,4-bromobenzoyl chloride,ClC(=O)c1ccc(Br)cc1,ClC(=O)c1ccc(Br)cc1,InChI=1/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,C7H4BrClO,,,,,,DENKGPBHLYFNGK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.715,209-584-3,586-81-2,1-methyl-4-(1-methylethylidene)cyclohexan-1-ol,4-isopropylidene-1-methylcyclohexanol,CC(=C1CCC(C)(O)CC1)C,CC(=C1CCC(C)(O)CC1)C,"InChI=1/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3",C10H18O,,,,,,NNRLDGQZIVUQTE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.716,209-585-9,586-82-3,4-(isopropyl)-1-methylcyclohex-3-en-1-ol,4-isopropyl-1-methylcyclohex-3-en-1-ol,CC(C)C1=CCC(C)(O)CC1,CC(C)C1=CCC(C)(O)CC1,"InChI=1/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3",C10H18O,,,,,,XJWZDXFFNOMMTD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.717,209-586-4,586-84-5,2-(methoxymethyl)-5-nitrofuran,2-(methoxymethyl)-5-nitrofuran,COCc1oc(cc1)[N+](=O)[O-],COCc1oc(cc1)[N+](=O)[O-],"InChI=1/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3",C6H7NO4,,,,,,JXUMCVDPMJWGSI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.721,209-591-1,586-96-9,Nitrosobenzene,nitrosobenzene,O=Nc1ccccc1,O=Nc1ccccc1,InChI=1/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H,C6H5NO,,,,,,NLRKCXQQSUWLCH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.735,209-607-7,587-90-6,"1,3-bis(4-nitrophenyl)urea","1,3-bis(4-nitrophenyl)urea",[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)",C13H10N4O5,,,,,,JEZZOKXIXNSKQD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.737,209-609-8,588-04-5,"3,3'-azotoluene",bis(3-methylphenyl)diazene,Cc1cccc(c1)N=Nc2cccc(C)c2,Cc1cccc(c1)N=Nc2cccc(C)c2,"InChI=1/C14H14N2/c1-11-5-3-7-13(9-11)15-16-14-8-4-6-12(2)10-14/h3-10H,1-2H3",C14H14N2,,,,,,HPSZIXYLILUGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.738,209-610-3,588-07-8,3'-chloroacetanilide,N-(3-chlorophenyl)acetamide,CC(=O)Nc1cccc(Cl)c1,CC(=O)Nc1cccc(Cl)c1,"InChI=1/C8H8ClNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)",C8H8ClNO,,,,,,MUUQHCOAOLLHIL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.743,209-616-6,588-32-9,3-chlorophenoxyacetic acid,(3-chlorophenoxy)acetic acid,OC(=O)COc1cccc(Cl)c1,OC(=O)COc1cccc(Cl)c1,"InChI=1/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7ClO3,,,,,,XSBUXVWJQVTYLC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.745,209-618-7,588-43-2,"1,1',1''-[methylidynetris(oxy)]tributane","1,1',1''-[methanetriyltris(oxy)]tributane",CCCCOC(OCCCC)OCCCC,CCCCOC(OCCCC)OCCCC,"InChI=1/C13H28O3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h13H,4-12H2,1-3H3",C13H28O3,,,,,,SGJBIFUEFLWXJY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.859,208-643-0,536-69-6,5-butylpyridine-3-carboxylic acid,5-butylpyridine-2-carboxylic acid,CCCCc1ccc(nc1)C(=O)O,CCCCc1ccc(nc1)C(=O)O,"InChI=1/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)",C10H13NO2,,,,,,DGMPVYSXXIOGJY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.860,208-644-6,536-71-0,Diminazene,4-[3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide,NC(=N)c2ccc(NN=Nc1ccc(cc1)C(N)=N)cc2,NC(=N)c2ccc(NN=Nc1ccc(cc1)C(N)=N)cc2,"InChI=1/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)",C14H15N7,,,,,,XNYZHCFCZNMTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.862,208-646-7,536-75-4,4-ethylpyridine,4-ethylpyridine,CCc1ccncc1,CCc1ccncc1,"InChI=1/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3",C7H9N,,,,,,VJXRKZJMGVSXPX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.863,208-647-2,536-78-7,3-ethylpyridine,3-ethylpyridine,CCc1cccnc1,CCc1cccnc1,"InChI=1/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3",C7H9N,,,,,,MFEIKQPHQINPRI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.882,208-668-7,537-46-2,Methamphetamine,N-methyl-1-phenylpropan-2-amine,CNC(C)Cc1ccccc1,CNC(C)Cc1ccccc1,"InChI=1/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",C10H15N,,,,,,MYWUZJCMWCOHBA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.884,208-670-8,537-49-5,N-methyl-L-tyrosine,N-methyltyrosine,CN[C@@H](Cc1ccc(O)cc1)C(=O)O,CN[C@@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)",C10H13NO3,,,,,,AXDLCFOOGCNDST-VIFPVBQESA-N,,,,,,,,,,,
100.007.893,208-680-2,538-00-1,1-m-tolylsemicarbazide,2-(3-methylphenyl)hydrazinecarboxamide,Cc1cccc(NNC(=O)N)c1,Cc1cccc(NNC(=O)N)c1,"InChI=1/C8H11N3O/c1-6-3-2-4-7(5-6)10-11-8(9)12/h2-5,10H,1H3,(H3,9,11,12)",C8H11N3O,,,,,,CWLVXOXYLODUHV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.634,207-296-2,459-64-3,4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazonium tetrafluoroborate,COc1ccc(cc1)[N+]#N.F[B-](F)(F)F,COc1ccc(cc1)[N+]#N.F[B-](F)(F)F,"InChI=1/C7H7N2O.BF4/c1-10-7-4-2-6(9-8)3-5-7;2-1(3,4)5/h2-5H,1H3;/q+1;-1",C7H7N2O.BF4,,,,,,BYGWNWAFXUPZHI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.647,207-310-7,461-53-0,Butyryl fluoride,butanoyl fluoride,CCCC(=O)F,CCCC(=O)F,"InChI=1/C4H7FO/c1-2-3-4(5)6/h2-3H2,1H3",C4H7FO,,,,,,GSJWYIDMIRQHMV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.650,207-313-3,461-72-3,Hydantoin,"imidazolidine-2,4-dione",O=C1CNC(=O)N1,O=C1CNC(=O)N1,"InChI=1/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",C3H4N2O2,,,,,,WJRBRSLFGCUECM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.659,207-323-8,462-10-2,"4,4'-dithiobis[2-aminobutyric] acid","4,4'-disulfanediylbis(2-aminobutanoic acid)",NC(CCSSCCC(N)C(=O)O)C(=O)O,NC(CCSSCCC(N)C(=O)O)C(=O)O,"InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)",C8H16N2O4S2,,,,,,ZTVZLYBCZNMWCF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.662,207-326-4,462-47-5,3-aminopropanethiol,3-aminopropane-1-thiol,NCCCS,NCCCS,"InChI=1/C3H9NS/c4-2-1-3-5/h5H,1-4H2",C3H9NS,,,,,,IYGAMTQMILRCCI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.663,207-328-5,462-60-2,Hydantoic acid,N-carbamoylglycine,NC(=O)NCC(=O)O,NC(=O)NCC(=O)O,"InChI=1/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)",C3H6N2O3,,,,,,KZVRXPPUJQRGFN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.671,207-336-9,463-51-4,Ketene,ethenone,C=C=O,C=C=O,InChI=1/C2H2O/c1-2-3/h1H2,C2H2O,,,,,,CCGKOQOJPYTBIH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.676,207-342-1,463-72-9,Carbamoyl chloride,carbamic chloride,NC(=O)Cl,NC(=O)Cl,"InChI=1/CH2ClNO/c2-1(3)4/h(H2,3,4)",CH2ClNO,,,,,,CKDWPUIZGOQOOM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.677,207-343-7,463-82-1,Neopentane,neopentane,CC(C)(C)C,CC(C)(C)C,"InChI=1/C5H12/c1-5(2,3)4/h1-4H3",C5H12,,,,,,CRSOQBOWXPBRES-UHFFFAOYSA-N,,,,,,,,,,,
100.006.679,207-345-8,464-05-1,Pyridinium trifluoroacetate,pyridinium trifluoroacetate,[O-]C(=O)C(F)(F)F.c1cc[nH+]cc1,[O-]C(=O)C(F)(F)F.c1cc[nH+]cc1,"InChI=1/C5H5N.C2HF3O2/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h1-5H;(H,6,7)",C5H5N.C2HF3O2,,,,,,NRTYMEPCRDJMPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.192,210-110-2,606-26-8,o-nitrobenzohydrazide,2-nitrobenzohydrazide,NNC(=O)c1ccccc1[N+](=O)[O-],NNC(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)",C7H7N3O3,,,,,,LYGGDXLOJMNFBV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.193,210-111-8,606-27-9,Methyl 2-nitrobenzoate,methyl 2-nitrobenzoate,COC(=O)c1ccccc1[N+](=O)[O-],COC(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3",C8H7NO4,,,,,,AOXPHVNMBPFOFS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.194,210-112-3,606-28-0,Methyl 2-benzoylbenzoate,methyl 2-benzoylbenzoate,COC(=O)c1ccccc1C(=O)c2ccccc2,COC(=O)c1ccccc1C(=O)c2ccccc2,"InChI=1/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3",C15H12O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16686,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.194,NQSMEZJWJJVYOI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.196,210-114-4,606-34-8,"2,4,6-trinitrobenzaldehyde","2,4,6-trinitrobenzaldehyde",[O-][N+](=O)c1cc(c(C=O)c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(C=O)c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C7H3N3O7/c11-3-5-6(9(14)15)1-4(8(12)13)2-7(5)10(16)17/h1-3H,C7H3N3O7,,,,,,HWFUMAYINFTNSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.199,210-118-6,606-45-1,Methyl o-anisate,methyl 2-methoxybenzoate,COC(=O)c1ccccc1OC,COC(=O)c1ccccc1OC,"InChI=1/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3",C9H10O3,,,,,,PFYHAAAQPNMZHO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.201,210-120-7,606-55-3,1-ethyl-2-methylquinolinium iodide,1-ethyl-2-methylquinolinium iodide,[I-].CC[n+]1c(C)ccc2ccccc12,[I-].CC[n+]1c(C)ccc2ccccc12,"InChI=1/C12H14N.HI/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1",C12H14N.I,,,,,,OEVSHJVOKFWBJY-UHFFFAOYSA-M,,,,,,,,,,,
100.009.211,210-131-7,607-24-9,2-nitro-1-naphthol,2-nitro-1-naphthol,Oc1c(ccc2ccccc12)[N+](=O)[O-],Oc1c(ccc2ccccc12)[N+](=O)[O-],"InChI=1/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H",C10H7NO3,,,,,,MUCCHGOWMZTLHK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.212,210-132-2,607-28-3,3-hydroxyiminoindolin-2-one,"1H-indole-2,3-dione 3-oxime",ON=C1c2ccccc2NC1=O,ON=C1c2ccccc2NC1=O,"InChI=1/C8H6N2O2/c11-8-7(10-12)5-3-1-2-4-6(5)9-8/h1-4,12H,(H,9,10,11)",C8H6N2O2,,,,,,LNMAXZZQNSPQSR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.218,210-139-0,607-66-9,4-methylquinolin-2-ol,4-methylquinolin-2-ol,Cc1cc(O)nc2ccccc12,Cc1cc(O)nc2ccccc12,"InChI=1/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)",C10H9NO,,,,,,APLVPBUBDFWWAD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.224,210-145-3,607-90-9,Propyl salicylate,propyl salicylate,CCCOC(=O)c1ccccc1O,CCCOC(=O)c1ccccc1O,"InChI=1/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3",C10H12O3,,,,,,LZFIOSVZIQOVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.225,210-146-9,607-91-0,"6-allyl-4-methoxy-1,3-benzodioxole","6-allyl-4-methoxy-1,3-benzodioxole",COc1cc(CC=C)cc2OCOc12,COc1cc(CC=C)cc2OCOc12,"InChI=1/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3",C11H12O3,,,,,,BNWJOHGLIBDBOB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.794,209-672-1,590-17-0,Bromoacetonitrile,bromoacetonitrile,BrCC#N,BrCC#N,InChI=1/C2H2BrN/c3-1-2-4/h1H2,C2H2BrN,,,,,,REXUYBKPWIPONM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.807,209-686-8,590-63-6,2-carbamoyloxypropyltrimethylammonium chloride,"2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CC(C[N+](C)(C)C)OC(=O)N,[Cl-].CC(C[N+](C)(C)C)OC(=O)N,"InChI=1/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H",C7H17N2O2.Cl,,,,,,XXRMYXBSBOVVBH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.809,209-688-9,590-67-0,1-methylcyclohexanol,1-methylcyclohexanol,CC1(O)CCCCC1,CC1(O)CCCCC1,"InChI=1/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3",C7H14O,,,,,,VTBOTOBFGSVRMA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.812,209-692-0,590-88-5,1-methyltrimethylenediamine,"butane-1,3-diamine",CC(N)CCN,CC(N)CCN,"InChI=1/C4H12N2/c1-4(6)2-3-5/h4H,2-3,5-6H2,1H3",C4H12N2,,,,,,RGTXVXDNHPWPHH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.814,209-694-1,590-92-1,3-bromopropionic acid,3-bromopropanoic acid,OC(=O)CCBr,OC(=O)CCBr,"InChI=1/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",C3H5BrO2,,,,,,DHXNZYCXMFBMHE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.818,209-698-3,591-07-1,Acetylurea,N-carbamoylacetamide,CC(=O)NC(=O)N,CC(=O)NC(=O)N,"InChI=1/C3H6N2O2/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)",C3H6N2O2,,,,,,GKRZNOGGALENQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.819,209-699-9,591-08-2,Acetyl-2-thiourea,N-carbamothioylacetamide,CC(=O)NC(=S)N,CC(=O)NC(=S)N,"InChI=1/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)",C3H6N2OS,,,,,,IPCRBOOJBPETMF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.821,209-701-8,591-12-8,5-methylfuran-2(3H)-one,5-methylfuran-2(3H)-one,CC1=CCC(=O)O1,CC1=CCC(=O)O1,"InChI=1/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3",C5H6O2,,,,,,QOTQFLOTGBBMEX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.830,209-711-2,591-27-5,3-aminophenol,3-aminophenol,Nc1cccc(O)c1,Nc1cccc(O)c1,"InChI=1/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2",C6H7NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13547,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.830,CWLKGDAVCFYWJK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.164,207-879-1,499-40-1,6-O-a-D-glucopyranosyl-D-glucose,6-O-alpha-D-glucopyranosyl-D-glucose,OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2",C12H22O11,,,,,,AYRXSINWFIIFAE-YJOKQAJESA-N,,,,,,,,,,,
100.007.171,207-887-5,499-70-7,trans-5-isopropyl-2-methylcyclohexan-1-one,5-isopropyl-2-methylcyclohexanone,CC(C)[C@@H]1CC[C@@H](C)C(=O)C1,CC(C)[C@@H]1CC[C@@H](C)C(=O)C1,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,GCRTVIUGJCJVDD-RKDXNWHRSA-N,,,,,,,,,,,
100.007.175,207-891-7,499-78-5,5-hydroxy-4-oxo-4H-pyran-2-carboxylic acid,5-hydroxy-4-oxo-4H-pyran-2-carboxylic acid,OC(=O)C1=CC(=O)C(=CO1)O,OC(=O)C1=CC(=O)C(=CO1)O,"InChI=1/C6H4O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1-2,8H,(H,9,10)",C6H4O5,,,,,,UUUICOMMFFTCHS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.177,207-893-8,499-81-0,"Pyridine-3,5-dicarboxylic acid","pyridine-3,5-dicarboxylic acid",OC(=O)c1cncc(c1)C(=O)O,OC(=O)c1cncc(c1)C(=O)O,"InChI=1/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)",C7H5NO4,,,,,,MPFLRYZEEAQMLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.185,207-903-0,500-38-9,"4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol",CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,"InChI=1/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3",C18H22O4,,,,,,HCZKYJDFEPMADG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.186,207-904-6,500-42-5,Chlorazanil,"N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine",Nc1ncnc(Nc2ccc(Cl)cc2)n1,Nc1ncnc(Nc2ccc(Cl)cc2)n1,"InChI=1/C9H8ClN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)",C9H8ClN5,,,,,,YRZQHIVOIFJEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.193,207-911-4,500-73-2,Phenyl trifluoroacetate,phenyl trifluoroacetate,FC(F)(F)C(=O)Oc1ccccc1,FC(F)(F)C(=O)Oc1ccccc1,"InChI=1/C8H5F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H",C8H5F3O2,,,,,,DVCMYAIUSOSIQP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.197,207-916-1,500-98-1,Phenaceturic acid,N-(phenylacetyl)glycine,OC(=O)CNC(=O)Cc1ccccc1,OC(=O)CNC(=O)Cc1ccccc1,"InChI=1/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)",C10H11NO3,,,,,,UTYVDVLMYQPLQB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.198,207-917-7,500-99-2,"3,5-dimethoxyphenol","3,5-dimethoxyphenol",COc1cc(O)cc(OC)c1,COc1cc(O)cc(OC)c1,"InChI=1/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3",C8H10O3,,,,,,XQDNFAMOIPNVES-UHFFFAOYSA-N,,,,,,,,,,,
100.007.199,207-918-2,501-00-8,(3-fluorophenyl)acetonitrile,(3-fluorophenyl)acetonitrile,Fc1cccc(CC#N)c1,Fc1cccc(CC#N)c1,"InChI=1/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2",C8H6FN,,,,,,DEJPYROXSVVWIE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.375,213-613-5,994-07-0,Chlorodimethoxymethylsilane,[chloro(dimethoxy)methyl]silane,COC([SiH3])(Cl)OC,COC([SiH3])(Cl)OC,"InChI=1/C3H9ClO2Si/c1-5-3(4,7)6-2/h1-2,7H3",C3H9ClO2Si,,,,,,FLHKHDLEHGTIPG-UHFFFAOYSA-N,,,,,,,,,,,
100.012.376,213-614-0,994-28-5,Chlorotriethylgermane,chloro(triethyl)germane,CC[Ge](Cl)(CC)CC,CC[Ge](Cl)(CC)CC,"InChI=1/C6H15ClGe/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3",C6H15ClGe,,,,,,CZKMPDNXOGQMFW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.388,213-627-1,995-45-9,Tributylchlorosilane,tributyl(chloro)silane,CCCC[Si](Cl)(CCCC)CCCC,CCCC[Si](Cl)(CCCC)CCCC,"InChI=1/C12H27ClSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27ClSi,,,,,,JSQJUDVTRRCSRU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.390,213-629-2,996-23-6,Calcium bis(hydroxyacetate),calcium bis(hydroxyacetate),[Ca+2].OCC(=O)[O-].OCC(=O)[O-],[Ca+2].OCC(=O)[O-].OCC(=O)[O-],"InChI=1/2C2H4O3.Ca/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q;;+2/p-2",C2H4O3.1/2Ca,,,,,,CHRHZFQUDFAQEQ-UHFFFAOYSA-L,,,,,,,,,,,
100.012.392,213-631-3,996-31-6,Potassium lactate,potassium 2-hydroxypropanoate,[K+].CC(O)C(=O)[O-],[K+].CC(O)C(=O)[O-],"InChI=1/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",C3H6O3.K,,,,,,PHZLMBHDXVLRIX-UHFFFAOYSA-M,,,,,,,,,,,
100.012.397,213-637-6,996-50-9,"N,N-diethyl-1,1,1-trimethylsilylamine","N,N-diethyl-1,1,1-trimethylsilanamine",CCN(CC)[Si](C)(C)C,CCN(CC)[Si](C)(C)C,"InChI=1/C7H19NSi/c1-6-8(7-2)9(3,4)5/h6-7H2,1-5H3",C7H19NSi,,,,,,JOOMLFKONHCLCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.400,213-640-2,996-98-5,Oxalohydrazide,ethanedihydrazide,NNC(=O)C(=O)NN,NNC(=O)C(=O)NN,"InChI=1/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8)",C2H6N4O2,,,,,,SWRGUMCEJHQWEE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.402,213-642-3,997-46-6,4-hydroxybutyl methacrylate,4-hydroxybutyl methacrylate,CC(=C)C(=O)OCCCCO,CC(=C)C(=O)OCCCCO,"InChI=1/C8H14O3/c1-7(2)8(10)11-6-4-3-5-9/h9H,1,3-6H2,2H3",C8H14O3,,,,,,YKXAYLPDMSGWEV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.403,213-643-9,997-55-7,N-acetyl-L-aspartic acid,N-acetyl-L-aspartic acid,CC(=O)N[C@@H](CC(=O)O)C(=O)O,CC(=O)N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)",C6H9NO5,,,,,,OTCCIMWXFLJLIA-BYPYZUCNSA-N,,,,,,,,,,,
100.012.405,213-646-5,998-00-5,Tetrakis(isobutyl)-µ-oxodialuminium,-,CC(C)C[Al](CC(C)C)O[Al](CC(C)C)CC(C)C,CC(C)C[Al](CC(C)C)O[Al](CC(C)C)CC(C)C,"InChI=1/4C4H9.2Al.O/c4*1-4(2)3;;;/h4*4H,1H2,2-3H3;;;/rC16H36Al2O/c1-13(2)9-17(10-14(3)4)19-18(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3",C16H36Al2O,,,,,,CTNFGBKAHAEKFE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.407,213-648-6,998-12-9,"3-hydroxymethylpentane-1,5-diol","3-(hydroxymethyl)pentane-1,5-diol",OCCC(CO)CCO,OCCC(CO)CCO,"InChI=1/C6H14O3/c7-3-1-6(5-9)2-4-8/h6-9H,1-5H2",C6H14O3,,,,,,WXSRRNYRGPTTNP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.956,212-051-8,756-76-3,"Trichloro[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane","trichloro[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane",FC(F)C(F)(F)OCCC[Si](Cl)(Cl)Cl,FC(F)C(F)(F)OCCC[Si](Cl)(Cl)Cl,"InChI=1/C5H7Cl3F4OSi/c6-14(7,8)3-1-2-13-5(11,12)4(9)10/h4H,1-3H2",C5H7Cl3F4OSi,,,,,,WSQVRKHADNPCBM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.962,212-058-6,757-86-8,Methyl [(dimethoxyphosphinothioyl)thio]acetate,methyl [(dimethoxyphosphorothioyl)sulfanyl]acetate,COC(=O)CSP(=S)(OC)OC,COC(=O)CSP(=S)(OC)OC,"InChI=1/C5H11O4PS2/c1-7-5(6)4-12-10(11,8-2)9-3/h4H2,1-3H3",C5H11O4PS2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10642,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.962,PLZVCZLWZIJPPO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.965,212-061-2,758-21-4,Ethyldimethylsilane,ethyl(dimethyl)silane,CC[SiH](C)C,CC[SiH](C)C,"InChI=1/C4H12Si/c1-4-5(2)3/h5H,4H2,1-3H3",C4H12Si,,,,,,QGBMSFLTRRZTGI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.976,212-073-8,759-94-4,EPTC,S-ethyl dipropylthiocarbamate,CCCN(CCC)C(=O)SCC,CCCN(CCC)C(=O)SCC,"InChI=1/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3",C9H19NOS,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12507,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.976,GUVLYNGULCJVDO-UHFFFAOYSA-N,,,,,,,,,,,
100.010.977,212-074-3,759-97-7,"2-bromo-1,1,3-trimethoxypropane","2-bromo-1,1,3-trimethoxypropane",COCC(Br)C(OC)OC,COCC(Br)C(OC)OC,"InChI=1/C6H13BrO3/c1-8-4-5(7)6(9-2)10-3/h5-6H,4H2,1-3H3",C6H13BrO3,,,,,,GAFSXURUCDQGFB-UHFFFAOYSA-N,,,,,,,,,,,
100.010.984,212-082-7,760-78-1,DL-norvaline,norvaline,CCCC(N)C(=O)O,CCCC(N)C(=O)O,"InChI=1/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2,,,,,,SNDPXSYFESPGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.986,212-084-8,760-93-0,Methacrylic anhydride,2-methylacrylic anhydride,CC(=C)C(=O)OC(=O)C(=C)C,CC(=C)C(=O)OC(=O)C(=C)C,"InChI=1/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3",C8H10O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5277,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.986,DCUFMVPCXCSVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.988,212-086-9,760-97-4,"3,6-dimethylhept-5-en-2-one","3,6-dimethylhept-5-en-2-one",CC(CC=C(C)C)C(=O)C,CC(CC=C(C)C)C(=O)C,"InChI=1/C9H16O/c1-7(2)5-6-8(3)9(4)10/h5,8H,6H2,1-4H3",C9H16O,,,,,,GFFWTYGLHZTFHM-UHFFFAOYSA-N,,,,,,,,,,,
100.010.990,212-089-5,761-21-7,2-chloropropyl(diethyl)amine,"2-chloro-N,N-diethylpropan-1-amine",CCN(CC)CC(C)Cl,CCN(CC)CC(C)Cl,"InChI=1/C7H16ClN/c1-4-9(5-2)6-7(3)8/h7H,4-6H2,1-3H3",C7H16ClN,,,,,,QOHJWGXVMZSTAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.895,208-682-3,538-03-4,Oxophenarsine hydrochloride,2-amino-4-(oxoarsino)phenol hydrochloride,Cl.Nc1cc(ccc1O)[As]=O,Cl.Nc1cc(ccc1O)[As]=O,"InChI=1/C6H6AsNO2.ClH/c8-5-3-4(7-10)1-2-6(5)9;/h1-3,9H,8H2;1H",C6H6AsNO2.ClH,,,,,,JRIGVWDKYXCHMG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.896,208-683-9,538-08-9,Diallylcyanamide,diallylcyanamide,C=CCN(CC=C)C#N,C=CCN(CC=C)C#N,"InChI=1/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2",C7H10N2,,,,,,ZOSAYFDMPYAZTB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.900,208-688-6,538-28-3,S-benzylthiouronium chloride,amino(benzylsulfanyl)methaniminium chloride,[Cl-].NC(=[NH2+])SCc1ccccc1,[Cl-].NC(=[NH2+])SCc1ccccc1,"InChI=1/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H",C8H10N2S.ClH,,,,,,WJAASTDRAAMYNK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.902,208-690-7,538-41-0,"4,4'-azodianiline","4,4'-diazene-1,2-diyldianiline",Nc2ccc(N=Nc1ccc(N)cc1)cc2,Nc2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C12H12N4/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2",C12H12N4,,,,,,KQIKKETXZQDHGE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.906,208-694-9,538-51-2,Benzylideneaniline,N-benzylideneaniline,C(=Nc1ccccc1)c2ccccc2,C(=Nc1ccccc1)c2ccccc2,InChI=1/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H,C13H11N,,,,,,UVEWQKMPXAHFST-UHFFFAOYSA-N,,,,,,,,,,,
100.007.907,208-695-4,538-56-7,Cinnamic anhydride,3-phenylacrylic anhydride,O=C(OC(=O)\\C=C\\c1ccccc1)\\C=C\\c2ccccc2,O=C(OC(=O)\C=C\c1ccccc1)\C=C\c2ccccc2,InChI=1/C18H14O3/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16/h1-14H,C18H14O3,,,,,,FXEDRSGUZBCDMO-PHEQNACWSA-N,,,,,,,,,,,
100.007.909,208-698-0,538-62-5,"1,5-diphenylcarbazone","N',2-diphenyldiazenecarbohydrazide",O=C(NNc1ccccc1)N=Nc2ccccc2,O=C(NNc1ccccc1)N=Nc2ccccc2,"InChI=1/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)",C13H12N4O,,,,,,ZFWAHZCOKGWUIT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.832,209-713-3,591-33-3,3'-ethoxyacetanilide,N-(3-ethoxyphenyl)acetamide,CCOc1cccc(NC(=O)C)c1,CCOc1cccc(NC(=O)C)c1,"InChI=1/C10H13NO2/c1-3-13-10-6-4-5-9(7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",C10H13NO2,,,,,,YVTBOWVWYXJHLD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.838,209-720-1,591-51-5,Phenyllithium,phenyllithium,[Li]c1ccccc1,[Li]c1ccccc1,InChI=1/C6H5.Li/c1-2-4-6-5-3-1;/h1-5H;/rC6H5Li/c7-6-4-2-1-3-5-6/h1-5H,C6H5Li,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2166,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.838,NHKJPPKXDNZFBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.840,209-722-2,591-60-6,Butyl acetoacetate,butyl 3-oxobutanoate,CCCCOC(=O)CC(=O)C,CCCCOC(=O)CC(=O)C,"InChI=1/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3",C8H14O3,,,,,,REIYHFWZISXFKU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.841,209-723-8,591-61-7,Calcium diisovalerate,calcium bis(3-methylbutanoate),[Ca+2].CC(C)CC(=O)[O-].CC(C)CC(=O)[O-],[Ca+2].CC(C)CC(=O)[O-].CC(C)CC(=O)[O-],"InChI=1/2C5H10O2.Ca/c2*1-4(2)3-5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Ca,,,,,,VYNQPZQRHJGOKI-UHFFFAOYSA-L,,,,,,,,,,,
100.008.842,209-724-3,591-62-8,Ethyl butylcarbamate,ethyl butylcarbamate,CCCCNC(=O)OCC,CCCCNC(=O)OCC,"InChI=1/C7H15NO2/c1-3-5-6-8-7(9)10-4-2/h3-6H2,1-2H3,(H,8,9)",C7H15NO2,,,,,,BQBKYSPXQYHTIP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.846,209-729-0,591-71-9,Tritetracontan-22-one,tritetracontan-22-one,CCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C43H86O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(44)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3",C43H86O,,,,,,ODSVXDFDFCXJDV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.848,209-731-1,591-78-6,Hexan-2-one,hexan-2-one,CCCCC(=O)C,CCCCC(=O)C,"InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3",C6H12O,,,,,,QQZOPKMRPOGIEB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.851,209-734-8,591-87-7,Allyl acetate,allyl acetate,CC(=O)OCC=C,CC(=O)OCC=C,"InChI=1/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3",C5H8O2,,,,,,FWZUNOYOVVKUNF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.858,209-742-1,592-05-2,Lead dicyanide,-,[Pb+2].[C-]#N.[C-]#N,[Pb+2].[C-]#N.[C-]#N,InChI=1/2CN.Pb.2H/c2*1-2;;;/q2*-1;+4;;/r2CN.H2Pb/c2*1-2;/h;;1H2/q2*-1;+4,C2N2Pb,,,,,,QIZNJFDRXPYPCA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.869,209-754-7,592-42-7,"Hexa-1,5-diene","hexa-1,5-diene",C=CCCC=C,C=CCCC=C,"InChI=1/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",C6H10,,,,,,PYGSKMBEVAICCR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.870,209-755-2,592-43-8,Hex-2-ene,hex-2-ene,CC=CCCC,CC=CCCC,"InChI=1/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3",C6H12,,,,,,RYPKRALMXUUNKS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.871,209-756-8,592-45-0,"cis,trans-hexa-1,4-diene","hexa-1,4-diene",CC=CCC=C,CC=CCC=C,"InChI=1/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3",C6H10,,,,,,PRBHEGAFLDMLAL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.876,209-762-0,592-51-8,Pent-4-enenitrile,pent-4-enenitrile,C=CCCC#N,C=CCCC#N,"InChI=1/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2",C5H7N,,,,,,CFEYBLWMNFZOPB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.880,209-766-2,592-63-2,Mercury acetate,mercury diacetate,[Hg].CC(O)=O,[Hg].CC(O)=O,"InChI=1/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+2",C2H4O2.xHg,,,,,,QQFJUDMWXYKXFF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.235,210-157-9,608-27-5,"2,3-dichloroaniline","2,3-dichloroaniline",Nc1cccc(Cl)c1Cl,Nc1cccc(Cl)c1Cl,"InChI=1/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2",C6H5Cl2N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11877,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.235,BRPSAOUFIJSKOT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.237,210-160-5,608-31-1,"2,6-dichloroaniline","2,6-dichloroaniline",Nc1c(Cl)cccc1Cl,Nc1c(Cl)cccc1Cl,"InChI=1/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2",C6H5Cl2N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18990,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.237,JDMFXJULNGEPOI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.238,210-161-0,608-33-3,"2,6-dibromophenol","2,6-dibromophenol",Oc1c(Br)cccc1Br,Oc1c(Br)cccc1Br,"InChI=1/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",C6H4Br2O,,,,,,SSIZLKDLDKIHEV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.241,210-164-7,608-50-4,"2,4-dinitromesitylene","1,3,5-trimethyl-2,4-dinitrobenzene",Cc1cc(C)c(c(C)c1[N+](=O)[O-])[N+](=O)[O-],Cc1cc(C)c(c(C)c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C9H10N2O4/c1-5-4-6(2)9(11(14)15)7(3)8(5)10(12)13/h4H,1-3H3",C9H10N2O4,,,,,,OFMLQCPPVSVIDD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.470,208-215-3,516-00-7,Ammonium oxamate,ammonium amino(oxo)acetate,[NH4+].NC(=O)C(=O)[O-],[NH4+].NC(=O)C(=O)[O-],"InChI=1/C2H3NO3.H3N/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);1H3",C2H3NO3.H3N,,,,,,NGARWWRAFUCMAE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.474,208-220-0,516-06-3,DL-valine,valine,CC(C)C(N)C(=O)O,CC(C)C(N)C(=O)O,"InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)",C5H11NO2,,,,,,KZSNJWFQEVHDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.475,208-221-6,516-12-1,"1-iodopyrrolidine-2,5-dione","1-iodopyrrolidine-2,5-dione",IN1C(=O)CCC1=O,IN1C(=O)CCC1=O,InChI=1/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2,C4H4INO2,,,,,,LQZMLBORDGWNPD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.477,208-223-7,516-53-0,"(20R)-5a-pregnane-3ß,20-diol","pregnane-3,20-diol",C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3",C21H36O2,,,,,,YWYQTGBBEZQBGO-XFHAOOBSSA-N,,,,,,,,,,,
100.007.487,208-234-7,517-22-6,"3-ethyl-2,4-dimethyl-1H-pyrrole","3-ethyl-2,4-dimethyl-1H-pyrrole",CCc1c(C)c[nH]c1C,CCc1c(C)c[nH]c1C,"InChI=1/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3",C8H13N,,,,,,ZEBBLOXDLGIMEG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.495,208-243-6,517-60-2,Benzenehexacarboxylic acid,"benzene-1,2,3,4,5,6-hexacarboxylic acid",OC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O,OC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O,"InChI=1/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C12H6O12,,,,,,YDSWCNNOKPMOTP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.502,208-250-4,518-28-5,"1,3,3a,4,9,9a-hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz[f]isobenzofuran-3-one","9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one",COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,"InChI=1/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3",C22H22O8,,,,,,YJGVMLPVUAXIQN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.504,208-253-0,518-47-8,Disodium 2-(3-oxo-6-oxidoxanthen-9-yl)benzoate,"disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate",[Na+].[Na+].[O-]c1ccc2c(Oc3cc([O-])ccc3C24OC(=O)c5ccccc45)c1,[Na+].[Na+].[O-]c1ccc2c(Oc3cc([O-])ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C20H12O5.2Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;;/q;2*+1/p-2",C20H12O5.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17278,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.504,RGPLGPBQJOQFJS-UHFFFAOYSA-L,,,,,,,,,,,
100.007.510,208-259-3,518-90-1,"3,4-dimethoxyphthalic acid","3,4-dimethoxyphthalic acid",COc1ccc(C(=O)O)c(C(=O)O)c1OC,COc1ccc(C(=O)O)c(C(=O)O)c1OC,"InChI=1/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)",C10H10O6,,,,,,QSWJYWSRUJSAFH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.511,208-260-9,519-04-0,Anhalonine,"4-methoxy-9-methyl-6,7,8,9-tetrahydro[1,3]dioxolo[4,5-h]isoquinoline",COc1cc2CCN[C@@H](C)c2c3OCOc13,COc1cc2CCN[C@@H](C)c2c3OCOc13,"InChI=1/C12H15NO3/c1-7-10-8(3-4-13-7)5-9(14-2)11-12(10)16-6-15-11/h5,7,13H,3-4,6H2,1-2H3",C12H15NO3,,,,,,YEGBVDVRKMCCON-ZETCQYMHSA-N,,,,,,,,,,,
100.007.514,208-264-0,519-23-3,"5,11-dimethyl-6H-pyrido[4,3-b]carbazole","5,11-dimethyl-6H-pyrido[4,3-b]carbazole",Cc1c2ccncc2c(C)c3c4ccccc4[nH]c13,Cc1c2ccncc2c(C)c3c4ccccc4[nH]c13,"InChI=1/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3",C17H14N2,,,,,,CTSPAMFJBXKSOY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.201,207-920-3,501-20-2,2-methoxy-5-(1-propenyl)phenol,2-methoxy-5-prop-1-en-1-ylphenol,Oc1cc(ccc1OC)C=CC,Oc1cc(ccc1OC)C=CC,"InChI=1/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3",C10H12O2,,,,,,LHJZSWVADJCBNI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.202,207-921-9,501-24-6,3-pentadecylphenol,3-pentadecylphenol,CCCCCCCCCCCCCCCc1cccc(O)c1,CCCCCCCCCCCCCCCc1cccc(O)c1,"InChI=1/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3",C21H36O,,,,,,PTFIPECGHSYQNR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.693,209-560-2,585-71-7,1-bromo-1-phenylethane,(1-bromoethyl)benzene,CC(Br)c1ccccc1,CC(Br)c1ccccc1,"InChI=1/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3",C8H9Br,,,,,,CRRUGYDDEMGVDY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.696,209-563-9,585-79-5,1-bromo-3-nitrobenzene,1-bromo-3-nitrobenzene,[O-][N+](=O)c1cccc(Br)c1,[O-][N+](=O)c1cccc(Br)c1,InChI=1/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,C6H4BrNO2,,,,,,FWIROFMBWVMWLB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.700,209-568-6,585-99-9,Melibiose,6-O-alpha-D-galactopyranosyl-beta-D-glucopyranose,O[C@@H]2[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[C@@H](O)[C@H](O)[C@H]2O,O[C@@H]2[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2",C12H22O11,,,,,,DLRVVLDZNNYCBX-ZZFZYMBESA-N,,,,,,,,,,,
100.008.701,209-569-1,586-06-1,Orciprenaline,"5-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,3-diol",CC(C)NCC(O)c1cc(O)cc(O)c1,CC(C)NCC(O)c1cc(O)cc(O)c1,"InChI=1/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3",C11H17NO3,,,,,,LMOINURANNBYCM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.703,209-571-2,586-30-1,3-hydroxy-p-toluic acid,3-hydroxy-4-methylbenzoic acid,Cc1ccc(cc1O)C(=O)O,Cc1ccc(cc1O)C(=O)O,"InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)",C8H8O3,,,,,,ZQLCWPXBHUALQC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.713,209-582-2,586-77-6,"4-bromo-N,N-dimethylaniline","4-bromo-N,N-dimethylaniline",CN(C)c1ccc(Br)cc1,CN(C)c1ccc(Br)cc1,"InChI=1/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3",C8H10BrN,,,,,,XYZWMVYYUIMRIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.726,209-596-9,587-04-2,3-chlorobenzaldehyde,3-chlorobenzaldehyde,Clc1cccc(C=O)c1,Clc1cccc(C=O)c1,InChI=1/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H,C7H5ClO,,,,,,SRWILAKSARHZPR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.730,209-601-4,587-49-5,Salfluverine,2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide,Oc1ccccc1C(=O)Nc2cccc(c2)C(F)(F)F,Oc1ccccc1C(=O)Nc2cccc(c2)C(F)(F)F,"InChI=1/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,18,20)",C14H10F3NO2,,,,,,WQDAVGDBWHWDSC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.731,209-603-5,587-61-1,Propyliodone,"propyl (3,5-diiodo-4-oxopyridin-1(4H)-yl)acetate",CCCOC(=O)CN1C=C(I)C(=O)C(=C1)I,CCCOC(=O)CN1C=C(I)C(=O)C(=C1)I,"InChI=1/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3",C10H11I2NO3,,,,,,ROSXARVHJNYYDO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.732,209-604-0,587-65-5,2-chloroacetanilide,2-chloro-N-phenylacetamide,ClCC(=O)Nc1ccccc1,ClCC(=O)Nc1ccccc1,"InChI=1/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)",C8H8ClNO,,,,,,VONWPEXRCLHKRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.744,209-617-1,588-42-1,Trolnitrate phosphate,"nitrilotriethane-2,1-diyl trinitrate bis(phosphate)",OP(=O)(O)O.OP(=O)(O)O.[O-][N+](=O)OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-],OP(=O)(O)O.OP(=O)(O)O.[O-][N+](=O)OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-],"InChI=1/C6H12N4O9.2H3O4P/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16;2*1-5(2,3)4/h1-6H2;2*(H3,1,2,3,4)",C6H12N4O9.2H3O4P,,,,,,UOCLRXFKRLRMKV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.858,208-642-5,536-66-3,4-isopropylbenzoic acid,4-isopropylbenzoic acid,CC(C)c1ccc(cc1)C(=O)O,CC(C)c1ccc(cc1)C(=O)O,"InChI=1/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)",C10H12O2,,,,,,CKMXAIVXVKGGFM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.866,208-650-9,536-89-0,m-tolylhydrazine,(3-methylphenyl)hydrazine,Cc1cccc(NN)c1,Cc1cccc(NN)c1,"InChI=1/C7H10N2/c1-6-3-2-4-7(5-6)9-8/h2-5,9H,8H2,1H3",C7H10N2,,,,,,GPTOGZLZMLJZCV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.867,208-651-4,536-90-3,m-anisidine,3-methoxyaniline,COc1cccc(N)c1,COc1cccc(N)c1,"InChI=1/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3",C7H9NO,,,,,,NCBZRJODKRCREW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.876,208-661-9,537-24-6,"3,5-dibromotyrosine","3,5-dibromotyrosine",NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O,NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O,"InChI=1/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)",C9H9Br2NO3,,,,,,COESHZUDRKCEPA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.993,212-092-1,762-12-9,Bisdecanoyl peroxide,dinonylperoxyanhydride,CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC,"InChI=1/C20H38O4/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",C20H38O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5297,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.993,XJOBOFWTZOKMOH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.996,212-095-8,762-21-0,Diethyl 2-butynedioate,diethyl but-2-ynedioate,CCOC(=O)C#CC(=O)OCC,CCOC(=O)C#CC(=O)OCC,"InChI=1/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3",C8H10O4,,,,,,STRNXFOUBFLVIN-UHFFFAOYSA-N,,,,,,,,,,,
100.010.997,212-096-3,762-26-5,"5,9-dimethyl-4,8-decadienal","5,9-dimethyldeca-4,8-dienal",C/C(C)=C\\CCC(C)=CCCC=O,C/C(C)=C\CCC(C)=CCCC=O,"InChI=1/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h7-8,10H,4-6,9H2,1-3H3",C12H20O,,,,,,MMLYERLRGHVBEK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.998,212-097-9,762-29-8,"6,10,14-trimethylpentadeca-5,9,13-trien-2-one","6,10,14-trimethylpentadeca-5,9,13-trien-2-one",C/C(C)=C\\CCC(C)=CCCC(C)=CCCC(C)=O,C/C(C)=C\CCC(C)=CCCC(C)=CCCC(C)=O,"InChI=1/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",C18H30O,,,,,,LTUMRKDLVGQMJU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.002,211-001-2,627-45-2,N-ethylformamide,N-ethylformamide,CCNC=O,CCNC=O,"InChI=1/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)",C3H7NO,,,,,,KERBAAIBDHEFDD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.680,212-848-0,873-66-5,trans-ß-methylstyrene,prop-1-en-1-ylbenzene,C\\C=C\\c1ccccc1,C\C=C\c1ccccc1,"InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3",C9H10,,,,,,QROGIFZRVHSFLM-QHHAFSJGSA-N,,,,,,,,,,,
100.011.693,212-862-7,874-43-1,5-aminomethyl-2-methylpyrimidin-4-ylamine dihydrochloride,5-(aminomethyl)-2-methylpyrimidin-4-amine dihydrochloride,Cl.Cl.Cc1ncc(CN)c(N)n1,Cl.Cl.Cc1ncc(CN)c(N)n1,"InChI=1/C6H10N4.2ClH/c1-4-9-3-5(2-7)6(8)10-4;;/h3H,2,7H2,1H3,(H2,8,9,10);2*1H",C6H10N4.2ClH,,,,,,FRWHCPFBMJIPLY-UHFFFAOYSA-N,,,,,,,,,,,
100.011.695,212-864-8,874-60-2,p-toluoyl chloride,4-methylbenzoyl chloride,Cc1ccc(cc1)C(=O)Cl,Cc1ccc(cc1)C(=O)Cl,"InChI=1/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3",C8H7ClO,,,,,,NQUVCRCCRXRJCK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.704,212-874-2,875-59-2,4-hydroxy-2-methylacetophenone,1-(4-hydroxy-2-methylphenyl)ethanone,CC(=O)c1ccc(O)cc1C,CC(=O)c1ccc(O)cc1C,"InChI=1/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3",C9H10O2,,,,,,IAMNVCJECQWBLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.705,212-875-8,875-63-8,trans-decahydro-1-methylquinoline,1-methyldecahydroquinoline,CN1CCC[C@H]2CCCC[C@H]12,CN1CCC[C@H]2CCCC[C@H]12,"InChI=1/C10H19N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h9-10H,2-8H2,1H3",C10H19N,,,,,,AAARTTJTRNAYHQ-ZJUUUORDSA-N,,,,,,,,,,,
100.011.707,212-877-9,875-79-6,"1,2-dimethyl-1H-indole","1,2-dimethyl-1H-indole",Cc1cc2ccccc2n1C,Cc1cc2ccccc2n1C,"InChI=1/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H3",C10H11N,,,,,,BJMUOUXGBFNLSN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.708,212-878-4,875-83-2,Sodium 2-naphtholate,sodium naphthalen-2-olate,[Na+].[O-]c1ccc2ccccc2c1,[Na+].[O-]c1ccc2ccccc2c1,"InChI=1/C10H8O.Na/c11-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7,11H;/q;+1/p-1",C10H8O.Na,,,,,,AJXVJQAPXVDFBT-UHFFFAOYSA-M,,,,,,,,,,,
100.011.711,212-882-6,876-86-8,7-chloroquinolin-8-ol,7-chloroquinolin-8-ol,Oc1c(Cl)ccc2cccnc12,Oc1c(Cl)ccc2cccnc12,"InChI=1/C9H6ClNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H",C9H6ClNO,,,,,,RMJFNYXBFISIET-UHFFFAOYSA-N,,,,,,,,,,,
100.011.716,212-887-3,877-10-1,"2,3,5,6-tetrachloro-p-xylene","1,2,4,5-tetrachloro-3,6-dimethylbenzene",Cc1c(Cl)c(Cl)c(C)c(Cl)c1Cl,Cc1c(Cl)c(Cl)c(C)c(Cl)c1Cl,InChI=1/C8H6Cl4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3,C8H6Cl4,,,,,,CTSQZGJZQUVGBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.717,212-888-9,877-22-5,3-methoxysalicylic acid,2-hydroxy-3-methoxybenzoic acid,COc1cccc(C(=O)O)c1O,COc1cccc(C(=O)O)c1O,"InChI=1/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)",C8H8O4,,,,,,AUZQQIPZESHNMG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.721,212-893-6,877-48-5,"2,5-xylyl acetate","2,5-dimethylphenyl acetate",CC(=O)Oc1cc(C)ccc1C,CC(=O)Oc1cc(C)ccc1C,"InChI=1/C10H12O2/c1-7-4-5-8(2)10(6-7)12-9(3)11/h4-6H,1-3H3",C10H12O2,,,,,,SBOSLJVYJPZJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.583,213-841-5,1027-94-7,1-benzyl-4-(isopropylamino)piperidine-4-carbonitrile,1-benzyl-4-(isopropylamino)piperidine-4-carbonitrile,CC(C)NC1(CCN(Cc2ccccc2)CC1)C#N,CC(C)NC1(CCN(Cc2ccccc2)CC1)C#N,"InChI=1/C16H23N3/c1-14(2)18-16(13-17)8-10-19(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,18H,8-12H2,1-2H3",C16H23N3,,,,,,AFWVUHFFBULMAW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.584,213-842-0,1028-33-7,Pentifylline,"1-hexyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CCCCCCN1C(=O)N(C)c2ncn(C)c2C1=O,CCCCCCN1C(=O)N(C)c2ncn(C)c2C1=O,"InChI=1/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3",C13H20N4O2,,,,,,MRWQRJMESRRJJB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.882,209-768-3,592-77-8,Hept-2-ene,hept-2-ene,CCCCC=CC,CCCCC=CC,"InChI=1/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3",C7H14,,,,,,OTTZHAVKAVGASB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.206,207-926-6,501-65-5,Diphenylacetylene,"1,1'-ethyne-1,2-diyldibenzene",c1ccc(cc1)C#Cc2ccccc2,c1ccc(cc1)C#Cc2ccccc2,InChI=1/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,C14H10,,,,,,JRXXLCKWQFKACW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.210,207-930-8,501-94-0,4-hydroxyphenethyl alcohol,4-(2-hydroxyethyl)phenol,OCCc1ccc(O)cc1,OCCc1ccc(O)cc1,"InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2",C8H10O2,,,,,,YCCILVSKPBXVIP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.215,207-936-0,502-41-0,Cycloheptanol,cycloheptanol,OC1CCCCCC1,OC1CCCCCC1,"InChI=1/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2",C7H14O,,,,,,QCRFMSUKWRQZEM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.219,207-940-2,502-49-8,Cyclooctanone,cyclooctanone,O=C1CCCCCCC1,O=C1CCCCCCC1,InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2,C8H14O,,,,,,IIRFCWANHMSDCG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.221,207-942-3,502-52-3,"2-hydroxypropane-1,3-diyl dipalmitate","2-hydroxypropane-1,3-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",C35H68O5,,,,,,GFAZGHREJPXDMH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.224,207-946-5,502-56-7,Nonan-5-one,nonan-5-one,CCCCC(=O)CCCC,CCCCC(=O)CCCC,"InChI=1/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3",C9H18O,,,,,,WSGCRAOTEDLMFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.228,207-950-7,502-69-2,"6,10,14-trimethylpentadecan-2-one","6,10,14-trimethylpentadecan-2-one",CC(C)CCCC(C)CCCC(C)CCCC(=O)C,CC(C)CCCC(C)CCCC(C)CCCC(=O)C,"InChI=1/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3",C18H36O,,,,,,WHWDWIHXSPCOKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.240,207-963-8,503-29-7,Azetidine,azetidine,C1CNC1,C1CNC1,"InChI=1/C3H7N/c1-2-4-3-1/h4H,1-3H2",C3H7N,,,,,,HONIICLYMWZJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.241,207-964-3,503-30-0,"1,2-epoxypropane",oxetane,C1COC1,C1COC1,InChI=1/C3H6O/c1-2-4-3-1/h1-3H2,C3H6O,,,,,,AHHWIHXENZJRFG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.245,207-969-0,503-46-8,"1,5,5-trimethylcyclohexene","1,5,5-trimethylcyclohexene",CC1=CCCC(C)(C)C1,CC1=CCCC(C)(C)C1,"InChI=1/C9H16/c1-8-5-4-6-9(2,3)7-8/h5H,4,6-7H2,1-3H3",C9H16,,,,,,CHOOCIQDWNAXQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.251,206-875-7,392-41-6,"Methyl 2,3,3-trifluoroacrylate","methyl 2,3,3-trifluoroacrylate",COC(=O)C(=C(F)F)F,COC(=O)C(=C(F)F)F,InChI=1/C4H3F3O2/c1-9-4(8)2(5)3(6)7/h1H3,C4H3F3O2,,,,,,LOYYAPWQNHOYQA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.253,206-877-8,392-57-4,"1,2,4,5-tetrafluoro-3,6-diiodobenzene","1,2,4,5-tetrafluoro-3,6-diiodobenzene",Fc1c(F)c(I)c(F)c(F)c1I,Fc1c(F)c(I)c(F)c(F)c1I,InChI=1/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11,C6F4I2,,,,,,VIXRAZODEODOJF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.625,210-586-1,619-23-8,a-chloro-3-nitrotoluene,1-(chloromethyl)-3-nitrobenzene,[O-][N+](=O)c1cccc(CCl)c1,[O-][N+](=O)c1cccc(CCl)c1,"InChI=1/C7H6ClNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2",C7H6ClNO2,,,,,,APGGSERFJKEWFG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.629,210-590-3,619-31-8,"N,N-dimethyl-3-nitroaniline","N,N-dimethyl-3-nitroaniline",CN(C)c1cccc(c1)[N+](=O)[O-],CN(C)c1cccc(c1)[N+](=O)[O-],"InChI=1/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3",C8H10N2O2,,,,,,CJDICMLSLYHRPT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.639,210-601-1,619-56-7,4-chlorobenzamide,4-chlorobenzamide,NC(=O)c1ccc(Cl)cc1,NC(=O)c1ccc(Cl)cc1,"InChI=1/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)",C7H6ClNO,,,,,,BLNVISNJTIRAHF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.641,210-603-2,619-58-9,4-iodobenzoic acid,4-iodobenzoic acid,OC(=O)c1ccc(I)cc1,OC(=O)c1ccc(I)cc1,"InChI=1/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",C7H5IO2,,,,,,GHICCUXQJBDNRN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.644,210-606-9,619-65-8,4-cyanobenzoic acid,4-cyanobenzoic acid,OC(=O)c1ccc(cc1)C#N,OC(=O)c1ccc(cc1)C#N,"InChI=1/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)",C8H5NO2,,,,,,ADCUEPOHPCPMCE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.645,210-607-4,619-66-9,4-formylbenzoic acid,4-formylbenzoic acid,OC(=O)c1ccc(C=O)cc1,OC(=O)c1ccc(C=O)cc1,"InChI=1/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)",C8H6O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18952,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.645,GOUHYARYYWKXHS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.649,210-612-1,619-75-0,"a,a-dibromo-4-nitrotoluene",1-(dibromomethyl)-4-nitrobenzene,[O-][N+](=O)c1ccc(cc1)C(Br)Br,[O-][N+](=O)c1ccc(cc1)C(Br)Br,"InChI=1/C7H5Br2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H",C7H5Br2NO2,,,,,,MKHFRSNFHCJQIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.321,209-151-9,557-05-1,Zinc distearate,zinc dioctadecanoate,[Zn+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5521,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.321,XOOUIPVCVHRTMJ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.323,209-154-5,557-07-3,Zinc dioleate,zinc dioctadec-9-enoate,[Zn+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Zn+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Zn,,,,,,LPEBYPDZMWMCLZ-CVBJKYQLSA-L,,,,,,,,,,,
100.008.327,209-158-7,557-17-5,Methyl propyl ether,1-methoxypropane,CCCOC,CCCOC,"InChI=1/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3",C4H10O,,,,,,VNKYTQGIUYNRMY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.331,209-162-9,557-21-1,Zinc cyanide,zinc dicyanide,[Zn+2].[C-]#N.[C-]#N,[Zn+2].[C-]#N.[C-]#N,InChI=1/2CN.Zn/c2*1-2;/q2*-1;+2,C2N2Zn,,,,,,GTLDTDOJJJZVBW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.334,209-166-0,557-27-7,Magnesium dipropionate,magnesium dipropanoate,[Mg+2].CCC(=O)[O-].CCC(=O)[O-],[Mg+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Mg/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.1/2Mg,,,,,,CQQJGTPWCKCEOQ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.335,209-167-6,557-28-8,Zinc dipropionate,zinc dipropanoate,[Zn+2].CCC(=O)[O-].CCC(=O)[O-],[Zn+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Zn/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.1/2Zn,,,,,,XDWXRAYGALQIFG-UHFFFAOYSA-L,,,,,,,,,,,
100.008.336,209-168-1,557-30-2,Glyoxal dioxime,ethanedial dioxime,ON=CC=NO,ON=CC=NO,"InChI=1/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H",C2H4N2O2,,,,,,LJHFIVQEAFAURQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.344,209-177-0,557-42-6,Zinc thiocyanate,zinc bis(thiocyanate),[Zn+2].[S-]C#N.[S-]C#N,[Zn+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Zn/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Zn,,,,,,MLVWCBYTEFCFSG-UHFFFAOYSA-L,,,,,,,,,,,
100.008.347,209-180-7,557-59-5,Tetracosanoic acid,tetracosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",C24H48O2,,,,,,QZZGJDVWLFXDLK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.350,209-183-3,557-75-5,Vinyl alcohol,ethenol,OC=C,OC=C,"InChI=1/C2H4O/c1-2-3/h2-3H,1H2",C2H4O,,,,,,IMROMDMJAWUWLK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.362,209-196-4,558-42-9,1-chloro-2-methylpropan-2-ol,1-chloro-2-methylpropan-2-ol,CC(C)(O)CCl,CC(C)(O)CCl,"InChI=1/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3",C4H9ClO,,,,,,JNOZGFXJZQXOSU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.366,209-202-5,559-14-8,Perfluorooct-1-ene,"1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooct-1-ene",FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F,FC(=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F,"InChI=1/C8F16/c9-1(2(10)11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24",C8F16,,,,,,YCBPKOZNGFQMPB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.369,209-205-1,559-74-0,D:A-Friedooleanan-3-one,"4,4a,6b,8a,11,11,12b,14a-octamethylicosahydropicen-3(2H)-one",C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]3[C@@]2(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C,C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]3[C@@]2(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C,"InChI=1/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3",C30H50O,,,,,,OFMXGFHWLZPCFL-SVRPQWSVSA-N,,,,,,,,,,,
100.008.373,209-209-3,560-52-1,"3ß-[(2,6-dideoxy-3-O-methyl-D-arabino-hexopyranosyl)oxy]-14ß,21-epoxy-2ß-hydroxypregn-5-en-19-al","2-hydroxy-19-oxo-14,21-epoxypregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-D-arabino-hexopyranoside",CO[C@@H]1CC(O[C@@H]2CC3=CC[C@@H]4[C@H](CC[C@]5(C)[C@H]6CCO[C@@]45CC6)[C@]3(C[C@@H]2O)C=O)O[C@H](C)[C@H]1O,CO[C@@H]1CC(O[C@@H]2CC3=CC[C@@H]4[C@H](CC[C@]5(C)[C@H]6CCO[C@@]45CC6)[C@]3(C[C@@H]2O)C=O)O[C@H](C)[C@H]1O,"InChI=1/C28H42O7/c1-16-25(31)23(32-3)13-24(34-16)35-22-12-18-4-5-20-19(27(18,15-29)14-21(22)30)7-9-26(2)17-6-10-28(20,26)33-11-8-17/h4,15-17,19-25,30-31H,5-14H2,1-3H3",C28H40O8,,,,,,DGKMUONTFGAQQH-INYBEGEPSA-N,,,,,,,,,,,
100.006.695,207-363-6,465-29-2,"Bornane-2,3-dione","1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione",CC1(C)C2CCC1(C)C(=O)C2=O,CC1(C)C2CCC1(C)C(=O)C2=O,"InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3",C10H14O2,,,,,,VNQXSTWCDUXYEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.700,207-368-3,465-90-7,"Bufa-20,22-dienolide, 3,5,14-trihydroxy-19-oxo-, (3ß,5ß)-","3,5,14-trihydroxy-19-oxobufa-20,22-dienolide",C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C5=COC(=O)C=C5,C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C5=COC(=O)C=C5,"InChI=1/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3",C24H32O6,,,,,,TVKPTWJPKVSGJB-XHCIOXAKSA-N,,,,,,,,,,,
100.006.702,207-370-4,466-06-8,Proscillaridin,"3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3",C30H42O8,,,,,,MYEJFUXQJGHEQK-ALRJYLEOSA-N,,,,,,,,,,,
100.007.877,208-662-4,537-26-8,Tropacocaine,8-methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate,CN1C2CCC1CC(C2)OC(=O)c3ccccc3,CN1C2CCC1CC(C2)OC(=O)c3ccccc3,"InChI=1/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3",C15H19NO2,,,,,,XQJMXPAEFMWDOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.879,208-665-0,537-39-3,"1,2,3-propanetriyl tris[(E)-9-octadecenoate]","propane-1,2,3-triyl trisoctadec-9-enoate",CCCCCCCC\\C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\\C=C\\CCCCCCCC)OC(=O)CCCCCCC\\C=C\\CCCCCCCC,CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3",C57H104O6,,,,,,PHYFQTYBJUILEZ-WUOFIQDXSA-N,,,,,,,,,,,
100.007.880,208-666-6,537-40-6,"Propane-1,2,3-triyl tris[(9Z,12Z)-octadeca-9,12-dienoate]","propane-1,2,3-triyl trisoctadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC)OC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3",C57H98O6,,,,,,HBOQXIRUPVQLKX-BBWANDEASA-N,,,,,,,,,,,
100.007.881,208-667-1,537-45-1,"2,6-dibromo-4-(chloroimino)cyclohexa-2,5-dienone","2,6-dibromo-4-(chloroimino)cyclohexa-2,5-dien-1-one",ClN=C1C=C(Br)C(=O)C(=C1)Br,ClN=C1C=C(Br)C(=O)C(=C1)Br,InChI=1/C6H2Br2ClNO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H,C6H2Br2ClNO,,,,,,JYWKEVKEKOTYEX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.883,208-669-2,537-47-3,4-phenylsemicarbazide,N-phenylhydrazinecarboxamide,NNC(=O)Nc1ccccc1,NNC(=O)Nc1ccccc1,"InChI=1/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)",C7H9N3O,,,,,,MOCKWYUCPREFCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.889,208-676-0,537-73-5,3-hydroxy-4-methoxycinnamic acid,3-(3-hydroxy-4-methoxyphenyl)acrylic acid,COc1ccc(\\C=C\\C(=O)O)cc1O,COc1ccc(\C=C\C(=O)O)cc1O,"InChI=1/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",C10H10O4,,,,,,QURCVMIEKCOAJU-HWKANZROSA-N,,,,,,,,,,,
100.007.891,208-678-1,537-92-8,3'-methylacetanilide,N-(3-methylphenyl)acetamide,CC(=O)Nc1cccc(C)c1,CC(=O)Nc1cccc(C)c1,"InChI=1/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)",C9H11NO,,,,,,ALMHSXDYCFOZQD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.892,208-679-7,537-98-4,(E)-4'-hydroxy-3'-methoxycinnamic acid,3-(4-hydroxy-3-methoxyphenyl)acrylic acid,COc1cc(C=CC(=O)O)ccc1O,COc1cc(C=CC(=O)O)ccc1O,"InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",C10H10O4,,,,,,KSEBMYQBYZTDHS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.894,208-681-8,538-02-3,Cyclopentamine hydrochloride,1-cyclopentyl-N-methylpropan-2-amine hydrochloride,Cl.CNC(C)CC1CCCC1,Cl.CNC(C)CC1CCCC1,"InChI=1/C9H19N.ClH/c1-8(10-2)7-9-5-3-4-6-9;/h8-10H,3-7H2,1-2H3;1H",C9H19N.ClH,,,,,,XGZPRABQSGUFBL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.897,208-684-4,538-17-0,Aluminium thiocyanate,aluminum tris(thiocyanate),[Al+3].[S-]C#N.[S-]C#N.[S-]C#N,[Al+3].[S-]C#N.[S-]C#N.[S-]C#N,InChI=1/3CHNS.Al/c3*2-1-3;/h3*3H;/q;;;+3/p-3,CHNS.1/3Al,,,,,,QJLDTVCWUDCBME-UHFFFAOYSA-K,,,,,,,,,,,
100.007.898,208-686-5,538-23-8,Glycerol trioctanoate,"propane-1,2,3-triyl trioctanoate",CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,"InChI=1/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3",C27H50O6,,,,,,VLPFTAMPNXLGLX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.901,208-689-1,538-32-9,Benzylurea,1-benzylurea,NC(=O)NCc1ccccc1,NC(=O)NCc1ccccc1,"InChI=1/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)",C8H10N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16640,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.901,RJNJWHFSKNJCTB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.904,208-692-8,538-43-2,"3-phenoxypropane-1,2-diol","3-phenoxypropane-1,2-diol",OCC(O)COc1ccccc1,OCC(O)COc1ccccc1,"InChI=1/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2",C9H12O3,,,,,,FNQIYTUXOKTMDM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.835,209-717-5,591-48-0,3-methylcyclohexene,3-methylcyclohexene,CC1CCCC=C1,CC1CCCC=C1,"InChI=1/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3",C7H12,,,,,,UZPWKTCMUADILM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.837,209-719-6,591-50-4,Iodobenzene,iodobenzene,Ic1ccccc1,Ic1ccccc1,InChI=1/C6H5I/c7-6-4-2-1-3-5-6/h1-5H,C6H5I,,,,,,SNHMUERNLJLMHN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.847,209-730-6,591-76-4,2-methylhexane,2-methylhexane,CCCCC(C)C,CCCCC(C)C,"InChI=1/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3",C7H16,,,,,,GXDHCNNESPLIKD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.849,209-732-7,591-80-0,Pent-4-enoic acid,pent-4-enoic acid,OC(=O)CCC=C,OC(=O)CCC=C,"InChI=1/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)",C5H8O2,,,,,,HVAMZGADVCBITI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.595,213-854-6,1034-10-2,O-(4-hydroxyphenyl)-DL-tyrosine,O-(4-hydroxyphenyl)tyrosine,N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O,N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O,"InChI=1/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)",C15H15NO4,,,,,,KKCIOUWDFWQUBT-AWEZNQCLSA-N,,,,,,,,,,,
100.012.599,213-858-8,1035-77-4,"3-methoxyoestra-1,3,5(10)-trien-17-ß-ol","3-methoxyestra-1,3,5(10)-trien-17-ol",COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1,COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1,"InChI=1/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3",C19H26O2,,,,,,ULAADVBNYHGIBP-GFEQUFNTSA-N,,,,,,,,,,,
100.012.600,213-859-3,1037-50-9,"Sodium N-(2,6-dimethoxy-4-pyrimidinyl)sulphanilamidate",-,COc1cc(N[Na]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1,COc1cc(N[Na]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1,"InChI=1/C6H8N3O2.C6H6NO2S.Na/c1-10-5-3-4(7)8-6(9-5)11-2;7-5-1-3-6(4-2-5)10(8)9;/h3H,1-2H3,(H-,7,8,9);1-4H,7H2;/q-1;;/rC12H14N4NaO4S/c1-20-11-7-10(14-12(15-11)21-2)16-17-22(18,19)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)/q-1",C12H14N4O4S.Na,,,,,,KMFINCIBLZDXDT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.607,213-867-7,1041-01-6,"3,5-diiodothyronine","O-(4-hydroxyphenyl)-3,5-diiodotyrosine",NC(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O,NC(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O,"InChI=1/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)",C15H13I2NO4,,,,,,ZHSOTLOTTDYIIK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.608,213-868-2,1041-90-3,Nalorphine hydrobromide,"17-allyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrobromide",Br.O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45,Br.O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45,"InChI=1/C19H21NO3.BrH/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20;/h2-6,12-13,15,18,21-22H,1,7-10H2;1H",C19H21NO3.BrH,,,,,,GLWUOONQQABCPM-ZQGPYOJVSA-N,,,,,,,,,,,
100.012.610,213-870-3,1042-84-8,"2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenylethan-1-one","2-(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-1-phenylethanone",CN4c2c(ccc1ccccc12)SC4=CC(=O)c3ccccc3,CN4c2c(ccc1ccccc12)SC4=CC(=O)c3ccccc3,"InChI=1/C20H15NOS/c1-21-19(13-17(22)15-8-3-2-4-9-15)23-18-12-11-14-7-5-6-10-16(14)20(18)21/h2-13H,1H3",C20H15NOS,,,,,,JLRFFZDTXCCEFM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.613,213-874-5,1043-50-1,"Bis(2,3,4,5,6-pentafluorophenyl) sulphide","1,1'-sulfanediylbis(pentafluorobenzene)",Fc1c(F)c(F)c(Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F,Fc1c(F)c(F)c(Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F,InChI=1/C12F10S/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22,C12F10S,,,,,,ZOUZMRQINDFFOK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.617,213-878-7,1046-56-6,"5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine","5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine",c1ccc(cc1)c2nnc(nc2c3ccccc3)c4ccccn4,c1ccc(cc1)c2nnc(nc2c3ccccc3)c4ccccn4,InChI=1/C20H14N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17/h1-14H,C20H14N4,,,,,,OTMYLOBWDNFTLO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.618,213-879-2,1047-16-1,"5,12-dihydroquino[2,3-b]acridine-7,14-dione","5,12-dihydroquino[2,3-b]acridine-7,14-dione",O=C1c2ccccc2Nc3cc4C(=O)c5ccccc5Nc4cc13,O=C1c2ccccc2Nc3cc4C(=O)c5ccccc5Nc4cc13,"InChI=1/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)",C20H12N2O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14755,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.618,NRCMAYZCPIVABH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.619,213-880-8,1048-05-1,Tetraphenylgermanium,tetraphenylgermane,c1ccc(cc1)[Ge+](c2ccccc2)(c3ccccc3)c4ccccc4,c1ccc(cc1)[Ge+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20Ge/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C24H20Ge,,,,,,WPJRYQUPXUMNCE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.622,213-883-4,1050-10-8,O-2-naphthyl methyl-2-naphthylthiocarbamate,O-2-naphthyl methyl(2-naphthyl)thiocarbamate,CN(C(=S)Oc1ccc2ccccc2c1)c3ccc4ccccc4c3,CN(C(=S)Oc1ccc2ccccc2c1)c3ccc4ccccc4c3,"InChI=1/C22H17NOS/c1-23(20-12-10-16-6-2-4-8-18(16)14-20)22(25)24-21-13-11-17-7-3-5-9-19(17)15-21/h2-15H,1H3",C22H17NOS,,,,,,PZHBZYPUUCYOIA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.623,213-885-5,1050-48-2,Benzilonium bromide,"1,1-diethyl-3-[2-hydroxy(diphenyl)acetoxy]pyrrolidinium bromide",[Br-].CC[N+]1(CC)CCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,[Br-].CC[N+]1(CC)CCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C22H28NO3.BrH/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,20,25H,3-4,15-17H2,1-2H3;1H/q+1;/p-1",C22H28NO3.Br,,,,,,GGMMWVHTLAENAS-UHFFFAOYSA-M,,,,,,,,,,,
100.012.628,213-890-2,1055-55-6,"N,N-dibutyl-4-(hexyloxy)naphthalene-1-carboximidamide hydrochloride","N,N-dibutyl-4-(hexyloxy)naphthalene-1-carboximidamide hydrochloride",Cl.CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12,Cl.CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12,"InChI=1/C25H38N2O.ClH/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3;/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3;1H",C25H38N2O.ClH,,,,,,PBYJDHRFPFHVKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.411,213-652-8,998-91-4,Ethyl 3-ethoxy-2-butenoate,ethyl 3-ethoxybut-2-enoate,O=C(OCC)C=C(C)OCC,O=C(OCC)C=C(C)OCC,"InChI=1/C8H14O3/c1-4-10-7(3)6-8(9)11-5-2/h6H,4-5H2,1-3H3",C8H14O3,,,,,,ZOCYCSPSSNMXBU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.650,210-613-7,619-80-7,4-nitrobenzamide,4-nitrobenzamide,NC(=O)c1ccc(cc1)[N+](=O)[O-],NC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)",C7H6N2O3,,,,,,ZESWUEBPRPGMTP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.664,210-628-9,620-19-9,a-chloro-m-xylene,1-(chloromethyl)-3-methylbenzene,Cc1cccc(CCl)c1,Cc1cccc(CCl)c1,"InChI=1/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3",C8H9Cl,,,,,,LZBOHNCMCCSTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.670,210-635-7,620-30-4,Racemetirosine,alpha-methyltyrosine,CC(N)(Cc1ccc(O)cc1)C(=O)O,CC(N)(Cc1ccc(O)cc1)C(=O)O,"InChI=1/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)",C10H13NO3,,,,,,NHTGHBARYWONDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.672,210-637-8,620-34-8,Methenamine salicylate,2-hydroxybenzoic acid - methanimine (1:1),OC(=O)c1ccccc1O.C=N,OC(=O)c1ccccc1O.C=N,"InChI=1/C7H6O3.CH3N/c8-6-4-2-1-3-5(6)7(9)10;1-2/h1-4,8H,(H,9,10);2H,1H2",C7H6O3.C6H12N4,,,,,,MXOPNRKVKZKDML-UHFFFAOYSA-N,,,,,,,,,,,
100.007.918,208-708-3,539-08-2,4'-ethoxylactanilide,N-(4-ethoxyphenyl)-2-hydroxypropanamide,CCOc1ccc(NC(=O)C(C)O)cc1,CCOc1ccc(NC(=O)C(C)O)cc1,"InChI=1/C11H15NO3/c1-3-15-10-6-4-9(5-7-10)12-11(14)8(2)13/h4-8,13H,3H2,1-2H3,(H,12,14)",C11H15NO3,,,,,,GHZNWXGYWUBLLI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.919,208-709-9,539-09-3,4-cinnamoyloxyphenylurea,4-(carbamoylamino)phenyl 3-phenylacrylate,NC(=O)Nc1ccc(OC(=O)\\C=C\\c2ccccc2)cc1,NC(=O)Nc1ccc(OC(=O)\C=C\c2ccccc2)cc1,"InChI=1/C16H14N2O3/c17-16(20)18-13-7-9-14(10-8-13)21-15(19)11-6-12-4-2-1-3-5-12/h1-11H,(H3,17,18,20)",C16H14N2O3,,,,,,YVPVJILEKSSIKI-IZZDOVSWSA-N,,,,,,,,,,,
100.007.926,208-717-2,539-44-6,p-tolylhydrazine,(4-methylphenyl)hydrazine,Cc1ccc(NN)cc1,Cc1ccc(NN)cc1,"InChI=1/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2-5,9H,8H2,1H3",C7H10N2,,,,,,XAMBIJWZVIZZOG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.931,208-723-5,539-66-2,Sodium isovalerate,sodium 3-methylbutanoate,[Na+].CC(C)CC(=O)[O-],[Na+].CC(C)CC(=O)[O-],"InChI=1/C5H10O2.Na/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);/q;+1/p-1",C5H10O2.Na,,,,,,JJZAWYXASMCCLB-UHFFFAOYSA-M,,,,,,,,,,,
100.007.933,208-725-6,539-80-0,"2,4,6-cycloheptatrien-1-one","cyclohepta-2,4,6-trien-1-one",O=C1C=CC=CC=C1,O=C1C=CC=CC=C1,InChI=1/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H,C7H6O,,,,,,QVWDCTQRORVHHT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.938,208-730-3,539-92-4,Diisobutyl carbonate,diisobutyl carbonate,CC(C)COC(=O)OCC(C)C,CC(C)COC(=O)OCC(C)C,"InChI=1/C9H18O3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3",C9H18O3,,,,,,UXXXZMDJQLPQPH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.942,208-735-0,540-09-0,Tricosan-12-one,tricosan-12-one,CCCCCCCCCCCC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)CCCCCCCCCCC,"InChI=1/C23H46O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C23H46O,,,,,,VARQGBHBYZTYLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.944,208-737-1,540-11-4,"Octadec-9-ene-1,12-diol","octadec-9-ene-1,12-diol",CCCCCCC(O)CC=CCCCCCCCCO,CCCCCCC(O)CC=CCCCCCCCCO,"InChI=1/C18H36O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3",C18H36O2,,,,,,DKBBOWMEYUBDGN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.949,208-742-9,540-36-3,"1,4-difluorobenzene","1,4-difluorobenzene",Fc1ccc(F)cc1,Fc1ccc(F)cc1,InChI=1/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H,C6H4F2,,,,,,QUGUFLJIAFISSW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.958,208-752-3,540-63-6,"Ethane-1,2-dithiol","ethane-1,2-dithiol",SCCS,SCCS,"InChI=1/C2H6S2/c3-1-2-4/h3-4H,1-2H2",C2H6S2,,,,,,VYMPLPIFKRHAAC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.962,208-757-0,540-80-7,tert-butyl nitrite,tert-butyl nitrite,CC(C)(C)ON=O,CC(C)(C)ON=O,"InChI=1/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3",C4H9NO2,,,,,,IOGXOCVLYRDXLW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.964,208-759-1,540-84-1,"2,2,4-trimethylpentane","2,2,4-trimethylpentane",CC(C)CC(C)(C)C,CC(C)CC(C)(C)C,"InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",C8H18,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13847,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.964,NHTMVDHEPJAVLT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.896,209-784-0,593-08-8,Tridecan-2-one,tridecan-2-one,CCCCCCCCCCCC(=O)C,CCCCCCCCCCCC(=O)C,"InChI=1/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3",C13H26O,,,,,,CYIFVRUOHKNECG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.900,209-788-2,593-33-9,1-fluorotetradecane,1-fluorotetradecane,CCCCCCCCCCCCCCF,CCCCCCCCCCCCCCF,"InChI=1/C14H29F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",C14H29F,,,,,,YRDSYPITPPQNED-UHFFFAOYSA-N,,,,,,,,,,,
100.008.909,209-798-7,593-56-6,Methoxyammonium chloride,methoxyammonium chloride,[Cl-].CO[NH3+],[Cl-].CO[NH3+],InChI=1/CH6NO.ClH/c1-3-2;/h1-2H3;1H/q+1;/p-1,CH5NO.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13115,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.909,SPUACDWLOLSOQO-UHFFFAOYSA-M,,,,,,,,,,,
100.008.910,209-799-2,593-58-8,Methyloxoarsine,methyl(oxo)arsine,C[As]=O,C[As]=O,InChI=1/CH3AsO/c1-2-3/h1H3,CH3AsO,,,,,,OOUFTJQAYCNJGB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.918,209-807-4,593-79-3,Dimethyl selenide,dimethyl selenide,C[Se]C,C[Se]C,InChI=1/C2H6Se/c1-3-2/h1-2H3,C2H6Se,,,,,,RVIXKDRPFPUUOO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.703,207-372-5,466-07-9,(5ß)-3ß-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide,3-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide,CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O,CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O,"InChI=1/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3",C30H46O8,,,,,,VPUNMTHWNSJUOG-BAOINKAISA-N,,,,,,,,,,,
100.006.713,207-383-5,466-99-9,Hydromorphone,"3-hydroxy-17-methyl-4,5-epoxymorphinan-6-one",CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,"InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3",C17H19NO3,,,,,,WVLOADHCBXTIJK-YNHQPCIGSA-N,,,,,,,,,,,
100.006.718,207-388-2,467-15-2,Norcodeine,"3-methoxy-7,8-didehydro-4,5-epoxymorphinan-6-ol",COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@@H](O)C=C[C@@H]35,COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@@H](O)C=C[C@@H]35,"InChI=1/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3",C17H19NO3,,,,,,HKOIXWVRNLGFOR-KOFBORESSA-N,,,,,,,,,,,
100.006.720,207-390-3,467-36-7,Thialbarbital,"5-allyl-5-cyclohex-2-en-1-yl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",C=CCC1(C2CCCC=C2)C(=O)NC(=S)NC1=O,C=CCC1(C2CCCC=C2)C(=O)NC(=S)NC1=O,"InChI=1/C13H16N2O2S/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2,4,6,9H,1,3,5,7-8H2,(H2,14,15,16,17,18)",C13H16N2O2S,,,,,,PXLVRFQEBVNJOH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.724,207-395-0,467-62-9,"4,4',4''-triaminotrityl alcohol",tris(4-aminophenyl)methanol,Nc1ccc(cc1)C(O)(c2ccc(N)cc2)c3ccc(N)cc3,Nc1ccc(cc1)C(O)(c2ccc(N)cc2)c3ccc(N)cc3,"InChI=1/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2",C19H19N3O,,,,,,KRVRUAYUNOQMOV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.725,207-396-6,467-63-0,"p,p',p''-tris(dimethylamino)trityl alcohol",tris[4-(dimethylamino)phenyl]methanol,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,"InChI=1/C25H31N3O/c1-26(2)22-13-7-19(8-14-22)25(29,20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,29H,1-6H3",C25H31N3O,,,,,,QFVDKARCPMTZCS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.397,226-836-8,5500-21-0,Cyclopropanecarbonitrile,cyclopropanecarbonitrile,N#CC1CC1,N#CC1CC1,"InChI=1/C4H5N/c5-3-4-1-2-4/h4H,1-2H2",C4H5N,,,,,,AUQDITHEDVOTCU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.398,226-837-3,5501-39-3,3-acetyl-4-hydroxy-6-methyl-2-pyridone,3-acetyl-4-hydroxy-6-methylpyridin-2(1H)-one,CC(=O)C1=C(O)C=C(C)NC1=O,CC(=O)C1=C(O)C=C(C)NC1=O,"InChI=1/C8H9NO3/c1-4-3-6(11)7(5(2)10)8(12)9-4/h3H,1-2H3,(H2,9,11,12)",C8H9NO3,,,,,,ULZPHVRGOPLRGP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.402,226-842-0,5503-13-9,"4-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-2-methyl-2-buten-1-ol","4-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-2-methylbut-2-en-1-ol",CC2(C)C1CCC(C1)C2=CC=C(C)CO,CC2(C)C1CCC(C1)C2=CC=C(C)CO,"InChI=1/C14H22O/c1-10(9-15)4-7-13-11-5-6-12(8-11)14(13,2)3/h4,7,11-12,15H,5-6,8-9H2,1-3H3",C14H22O,,,,,,XOPZRHLPPJYQQI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.406,226-846-2,5505-62-4,Aluminium sebacate,aluminium sebacate,[Al+3].[Al+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],[Al+3].[Al+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/3C10H18O4.2Al/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6",C10H18O4.2/3Al,,,,,,ITPKQLWJKWUWPB-UHFFFAOYSA-H,,,,,,,,,,,
100.024.433,226-876-6,5529-38-4,"2,5-dimethoxy-4'-nitrostilbene","1,4-dimethoxy-2-[2-(4-nitrophenyl)vinyl]benzene",COc1ccc(OC)c(\\C=C\\c2ccc(cc2)[N+](=O)[O-])c1,COc1ccc(OC)c(\C=C\c2ccc(cc2)[N+](=O)[O-])c1,"InChI=1/C16H15NO4/c1-20-15-9-10-16(21-2)13(11-15)6-3-12-4-7-14(8-5-12)17(18)19/h3-11H,1-2H3",C16H15NO4,,,,,,HVSBSYHEGIPGAW-ZZXKWVIFSA-N,,,,,,,,,,,
100.028.025,230-827-4,7330-35-0,tert-butyl octasulphide,di-tert-butyloctasulfane,CC(C)(C)SSSSSSSSC(C)(C)C,CC(C)(C)SSSSSSSSC(C)(C)C,"InChI=1/C8H18S8/c1-7(2,3)9-11-13-15-16-14-12-10-8(4,5)6/h1-6H3",C8H18S8,,,,,,ATERSKQFKLJCPA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.026,230-829-5,7330-36-1,tert-butyl nonasulphide,di-tert-butylnonasulfane,CC(C)(C)SSSSSSSSSC(C)(C)C,CC(C)(C)SSSSSSSSSC(C)(C)C,"InChI=1/C8H18S9/c1-7(2,3)9-11-13-15-17-16-14-12-10-8(4,5)6/h1-6H3",C8H18S9,,,,,,JHMFXPJTIFMCGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.030,230-833-7,7333-23-5,"2,2,6-trimethylheptane-3,5-dione","2,2,6-trimethylheptane-3,5-dione",CC(C)C(=O)CC(=O)C(C)(C)C,CC(C)C(=O)CC(=O)C(C)(C)C,"InChI=1/C10H18O2/c1-7(2)8(11)6-9(12)10(3,4)5/h7H,6H2,1-5H3",C10H18O2,,,,,,KLKRGCUPZROPPO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.036,230-840-5,7335-06-0,1-ethylpyrrolidine,1-ethylpyrrolidine,CCN1CCCC1,CCN1CCCC1,"InChI=1/C6H13N/c1-2-7-5-3-4-6-7/h2-6H2,1H3",C6H13N,,,,,,ONQBOTKLCMXPOF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.850,209-733-2,591-82-2,2-methylpropyl isothiocyanate,1-isothiocyanato-2-methylpropane,CC(C)CN=C=S,CC(C)CN=C=S,"InChI=1/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3",C5H9NS,,,,,,NSDDRJXKROCWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.854,209-737-4,591-95-7,"Penta-1,2-diene","penta-1,2-diene",CCC=C=C,CCC=C=C,"InChI=1/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3",C5H8,,,,,,LVMTVPFRTKXRPH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.864,209-748-4,592-31-4,Butylurea,1-butylurea,CCCCNC(=O)N,CCCCNC(=O)N,"InChI=1/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)",C5H12N2O,,,,,,CNWSQCLBDWYLAN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.875,209-761-5,592-50-7,1-fluoropentane,1-fluoropentane,CCCCCF,CCCCCF,"InChI=1/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3",C5H11F,,,,,,OEPRBXUJOQLYID-UHFFFAOYSA-N,,,,,,,,,,,
100.008.877,209-763-6,592-55-2,2-bromoethyl ethyl ether,1-bromo-2-ethoxyethane,CCOCCBr,CCOCCBr,"InChI=1/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3",C4H9BrO,,,,,,MMYKTRPLXXWLBC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.879,209-765-7,592-62-1,(methyl-ONN-azoxy)methyl acetate,(methyl-ONN-azoxy)methyl acetate,CC(=O)OCN=[N+](C)[O-],CC(=O)OCN=[N+](C)[O-],"InChI=1/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3",C4H8N2O3,,,,,,BELPJCDYWUCHKF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.887,209-774-6,592-87-0,Lead dithiocyanate,-,[Pb+2].[S-]C#N.[S-]C#N,[Pb+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Pb.2H/c2*2-1-3;;;/h2*3H;;;/q;;+4;;/p-2/r2CHNS.H2Pb/c2*2-1-3;/h2*3H;1H2/q;;+4/p-2,CHNS.1/2Pb,,,,,,VRNINGUKUJWZTH-UHFFFAOYSA-L,,,,,,,,,,,
100.007.209,207-929-2,501-92-8,p-allylphenol,4-allylphenol,Oc1ccc(CC=C)cc1,Oc1ccc(CC=C)cc1,"InChI=1/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2",C9H10O,,,,,,RGIBXDHONMXTLI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.211,207-931-3,501-97-3,3-(4-hydroxyphenyl)propionic acid,3-(4-hydroxyphenyl)propanoic acid,OC(=O)CCc1ccc(O)cc1,OC(=O)CCc1ccc(O)cc1,"InChI=1/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)",C9H10O3,,,,,,NMHMNPHRMNGLLB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.212,207-932-9,502-02-3,4-[[4-(dimethylamino)phenyl]azo]benzenesulphonic acid,4-{[4-(dimethylamino)phenyl]diazenyl}benzenesulfonic acid,CN(C)c2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2,CN(C)c2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2,"InChI=1/C14H15N3O3S/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)",C14H15N3O3S,,,,,,IETWCRRCPURZOC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.213,207-933-4,502-32-9,2-amino-4-methylpentan-1-ol,2-amino-4-methylpentan-1-ol,CC(C)CC(N)CO,CC(C)CC(N)CO,"InChI=1/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3",C6H15NO,,,,,,VPSSPAXIFBTOHY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.217,207-938-1,502-44-3,Hexan-6-olide,oxepan-2-one,O=C1CCCCCO1,O=C1CCCCCO1,InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2,C6H10O2,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14740,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.217,PAPBSGBWRJIAAV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.218,207-939-7,502-47-6,Citronellic acid,"3,7-dimethyloct-6-enoic acid",CC(CCC=C(C)C)CC(=O)O,CC(CCC=C(C)C)CC(=O)O,"InChI=1/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)",C10H18O2,,,,,,GJWSUKYXUMVMGX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.230,207-952-8,502-73-8,Hentricontan-16-one,hentriacontan-16-one,CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC,"InChI=1/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",C31H62O,,,,,,UNRFDARCMOHDBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.231,207-953-3,502-85-2,Sodium 4-hydroxybutyrate,sodium 4-hydroxybutanoate,[Na+].OCCCC(=O)[O-],[Na+].OCCCC(=O)[O-],"InChI=1/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1",C4H8O3.Na,,,,,,XYGBKMMCQDZQOZ-UHFFFAOYSA-M,,,,,,,,,,,
100.007.233,207-955-4,502-98-7,Chlorazodin,"N'~1~,N'~2~-dichlorodiazene-1,2-dicarboximidamide",NC(N=NC(N)=NCl)=NCl,NC(N=NC(N)=NCl)=NCl,"InChI=1/C2H4Cl2N6/c3-7-1(5)9-10-2(6)8-4/h(H2,5,7)(H2,6,8)",C2H4Cl2N6,,,,,,PMPQRINMBYHVSP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.244,207-968-5,503-41-3,"1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide","1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide",O=S1(=O)CCOS(=O)(=O)O1,O=S1(=O)CCOS(=O)(=O)O1,"InChI=1/C2H4O6S2/c3-9(4)2-1-7-10(5,6)8-9/h1-2H2",C2H4O6S2,,,,,,VSANMHWDSONVEE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.246,207-970-6,503-47-9,"1,3,3-trimethylcyclohexene","1,3,3-trimethylcyclohexene",CC1=CC(C)(C)CCC1,CC1=CC(C)(C)CCC1,"InChI=1/C9H16/c1-8-5-4-6-9(2,3)7-8/h7H,4-6H2,1-3H3",C9H16,,,,,,FFIDVTCKFVYQCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.247,207-971-1,503-49-1,Meglutol,3-hydroxy-3-methylpentanedioic acid,CC(O)(CC(=O)O)CC(=O)O,CC(O)(CC(=O)O)CC(=O)O,"InChI=1/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)",C6H10O5,,,,,,NPOAOTPXWNWTSH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.248,207-972-7,503-60-6,1-chloro-3-methylbut-2-ene,1-chloro-3-methylbut-2-ene,CC(=CCCl)C,CC(=CCCl)C,"InChI=1/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3",C5H9Cl,,,,,,JKXQKGNGJVZKFA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.417,213-659-6,999-22-4,"N,N''-ethylenebis[N-methylpropane-1,3-diamine]","N~1~,N~1~'-ethane-1,2-diylbis(N~1~-methylpropane-1,3-diamine)",CN(CCCN)CCN(C)CCCN,CN(CCCN)CCN(C)CCCN,"InChI=1/C10H26N4/c1-13(7-3-5-11)9-10-14(2)8-4-6-12/h3-12H2,1-2H3",C10H26N4,,,,,,COJUXMTZOSXAOW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.420,213-662-2,999-55-3,Allyl acrylate,allyl acrylate,C=CCOC(=O)C=C,C=CCOC(=O)C=C,"InChI=1/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2",C6H8O2,,,,,,QTECDUFMBMSHKR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.423,213-665-9,999-72-4,"3,3'-dithiobis[N-methylpropionamide]","3,3'-disulfanediylbis(N-methylpropanamide)",CNC(=O)CCSSCCC(=O)NC,CNC(=O)CCSSCCC(=O)NC,"InChI=1/C8H16N2O2S2/c1-9-7(11)3-5-13-14-6-4-8(12)10-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)",C8H16N2O2S2,,,,,,QUHFFYTTZGTUQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.425,213-668-5,999-97-3,"1,1,1,3,3,3-hexamethyldisilazane","1,1,1-trimethyl-N-(trimethylsilyl)silanamine",C[Si](C)(C)N[Si](C)(C)C,C[Si](C)(C)N[Si](C)(C)C,"InChI=1/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3",C6H19NSi2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15274,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.425,FFUAGWLWBBFQJT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.427,213-670-6,1000-30-2,"2,2,5-trimethylhex-4-enal","2,2,5-trimethylhex-4-enal",CC(=CCC(C)(C)C=O)C,CC(=CCC(C)(C)C=O)C,"InChI=1/C9H16O/c1-8(2)5-6-9(3,4)7-10/h5,7H,6H2,1-4H3",C9H16O,,,,,,TVJYZLLDEHOCJE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.430,213-673-2,1000-70-0,"N,N'-methanetetraylbis[1,1,1-trimethylsilylamine]","N,N'-bis(trimethylsilyl)carbodiimide",C[Si](C)(C)N=C=N[Si](C)(C)C,C[Si](C)(C)N=C=N[Si](C)(C)C,"InChI=1/C7H18N2Si2/c1-10(2,3)8-7-9-11(4,5)6/h1-6H3",C7H18N2Si2,,,,,,KSVMTHKYDGMXFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.437,213-681-6,1001-45-2,Pentadecan-6-one,pentadecan-6-one,CCCCCCCCCC(=O)CCCCC,CCCCCCCCCC(=O)CCCCC,"InChI=1/C15H30O/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h3-14H2,1-2H3",C15H30O,,,,,,YSHXMTRDMDYAEC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.438,213-682-1,1001-58-7,3-mercaptopropiononitrile,3-sulfanylpropanenitrile,SCCC#N,SCCC#N,"InChI=1/C3H5NS/c4-2-1-3-5/h5H,1,3H2",C3H5NS,,,,,,FCTXEFOUDMXDPD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.441,213-685-8,1002-28-4,Hex-3-yn-1-ol,hex-3-yn-1-ol,CCC#CCCO,CCC#CCCO,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3",C6H10O,,,,,,ODEHKVYXWLXRRR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.442,213-686-3,1002-35-3,"Octa-1,3,7-triene","octa-1,3,7-triene",C=CC=CCCC=C,C=CC=CCCC=C,"InChI=1/C8H12/c1-3-5-7-8-6-4-2/h3-5,7H,1-2,6,8H2",C8H12,,,,,,ZTJHDEXGCKAXRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.446,213-691-0,1002-69-3,1-chlorodecane,1-chlorodecane,CCCCCCCCCCCl,CCCCCCCCCCCl,"InChI=1/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",C10H21Cl,,,,,,ZTEHOZMYMCEYRM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.452,213-697-3,1003-03-8,Cyclopentylamine,cyclopentanamine,NC1CCCC1,NC1CCCC1,"InChI=1/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2",C5H11N,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7046,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.452,NISGSNTVMOOSJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.455,213-700-8,1003-10-7,<U+03B3>-thiobutyrolactone,dihydrothiophen-2(3H)-one,O=C1CCCS1,O=C1CCCS1,InChI=1/C4H6OS/c5-4-2-1-3-6-4/h1-3H2,C4H6OS,,,,,,KMSNYNIWEORQDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.456,213-701-3,1003-14-1,Propyloxirane,2-propyloxirane,CCCC1CO1,CCCC1CO1,"InChI=1/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3",C5H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12073,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.456,SYURNNNQIFDVCA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.459,213-705-5,1003-29-8,Pyrrole-2-carbaldehyde,1H-pyrrole-2-carbaldehyde,O=Cc1ccc[nH]1,O=Cc1ccc[nH]1,"InChI=1/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H",C5H5NO,,,,,,ZSKGQVFRTSEPJT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.460,213-706-0,1003-31-2,Thiophene-2-carbonitrile,thiophene-2-carbonitrile,N#Cc1cccs1,N#Cc1cccs1,InChI=1/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H,C5H3NS,,,,,,CUPOOAWTRIURFT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.462,213-708-1,1003-39-0,"4-methyl1,3-dithiolan-2-iminium chloride","4-methyl-1,3-dithiolan-2-iminium chloride",[Cl-].CC1CSC(=[NH2+])S1,[Cl-].CC1CSC(=[NH2+])S1,"InChI=1/C4H7NS2.ClH/c1-3-2-6-4(5)7-3;/h3,5H,2H2,1H3;1H",C4H7NS2.ClH,,,,,,UCXWOQXSESRMSP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.003,211-002-8,627-54-3,"1,1'-tellurobisethane","1,1'-tellanyldiethane",CC[Te]CC,CC[Te]CC,"InChI=1/C4H10Te/c1-3-5-4-2/h3-4H2,1-2H3",C4H10Te,,,,,,ILXWFJOFKUNZJA-UHFFFAOYSA-N,,,,,,,,,,,
100.010.004,211-003-3,627-58-7,"2,5-dimethylhexa-1,5-diene","2,5-dimethylhexa-1,5-diene",CC(=C)CCC(=C)C,CC(=C)CCC(=C)C,"InChI=1/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3",C8H14,,,,,,DSAYAFZWRDYBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.010.007,211-007-5,627-64-5,Fumaramide,but-2-enediamide,NC(=O)\\C=C\\C(=O)N,NC(=O)\C=C\C(=O)N,"InChI=1/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)",C4H6N2O2,,,,,,BSSNZUFKXJJCBG-OWOJBTEDSA-N,,,,,,,,,,,
100.010.008,211-008-0,627-67-8,3-methyl-1-nitrobutane,3-methyl-1-nitrobutane,CC(C)CC[N+](=O)[O-],CC(C)CC[N+](=O)[O-],"InChI=1/C5H11NO2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3",C5H11NO2,,,,,,FEJLPMVSVDSKHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.919,209-809-5,593-80-6,Dimethyl telluride,dimethyl telluride,C[Te]C,C[Te]C,InChI=1/C2H6Te/c1-3-2/h1-2H3,C2H6Te,,,,,,YMUZFVVKDBZHGP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.923,209-813-7,593-85-1,Diguanidinium carbonate,bis[amino(imino)methanaminium] carbonate,NC(=N)[NH3+].NC(=N)[NH3+].[O-]C(=O)[O-],NC(=N)[NH3+].NC(=N)[NH3+].[O-]C(=O)[O-],"InChI=1/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4)",CH5N3.1/2CH2O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13132,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.923,STIAPHVBRDNOAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.927,209-817-9,593-91-9,Trimethylbismuthine,trimethylbismuthine,C[Bi](C)C,C[Bi](C)C,InChI=1/3CH3.Bi/h3*1H3;/rC3H9Bi/c1-4(2)3/h1-3H3,C3H9Bi,,,,,,AYDYYQHYLJDCDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.928,209-818-4,593-92-0,"1,1-dibromoethylene","1,1-dibromoethene",BrC(=C)Br,BrC(=C)Br,InChI=1/C2H2Br2/c1-2(3)4/h1H2,C2H2Br2,,,,,,IWHJPYXAFGKABF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.932,209-823-1,594-09-2,Trimethylphosphine,trimethylphosphine,CP(C)C,CP(C)C,InChI=1/C3H9P/c1-4(2)3/h1-3H3,C3H9P,,,,,,YWWDBCBWQNCYNR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.934,209-825-2,594-11-6,Methylcyclopropane,methylcyclopropane,CC1CC1,CC1CC1,"InChI=1/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3",C4H8,,,,,,VNXBKJFUJUWOCW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.262,206-887-2,393-52-2,2-fluorobenzoyl chloride,2-fluorobenzoyl chloride,Fc1ccccc1C(=O)Cl,Fc1ccccc1C(=O)Cl,InChI=1/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H,C7H4ClFO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6792,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.262,RAAGZOYMEQDCTD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.265,206-890-9,394-01-4,4-fluoro-2-nitrobenzoic acid,4-fluoro-2-nitrobenzoic acid,OC(=O)c1ccc(F)cc1[N+](=O)[O-],OC(=O)c1ccc(F)cc1[N+](=O)[O-],"InChI=1/C7H4FNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)",C7H4FNO4,,,,,,YLUCXHMYRQUERW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.280,206-906-4,397-60-4,4-[(2-fluorophenyl)methylene]-2-phenyloxazol-5(4H)-one,"4-(2-fluorobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one",O=C2O\\C(=N/C2=Cc1ccccc1F)c3ccccc3,O=C2O\C(=N/C2=Cc1ccccc1F)c3ccccc3,InChI=1/C16H10FNO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h1-10H,C16H10FNO2,,,,,,KWHLRZLVGDQLNC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.282,206-909-0,398-21-0,"4-bromo-4'-fluoro-1,1'-biphenyl",4-bromo-4'-fluorobiphenyl,Fc1ccc(cc1)c2ccc(Br)cc2,Fc1ccc(cc1)c2ccc(Br)cc2,InChI=1/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,C12H8BrF,,,,,,XFGPSHWWPIFPNL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.283,206-910-6,398-23-2,"4,4'-difluorobiphenyl","4,4'-difluorobiphenyl",Fc1ccc(cc1)c2ccc(F)cc2,Fc1ccc(cc1)c2ccc(F)cc2,InChI=1/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,C12H8F2,,,,,,PZDAAZQDQJGXSW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.296,206-924-2,400-54-4,"1,1,1-trifluorohexane-2,4-dione","1,1,1-trifluorohexane-2,4-dione",CCC(=O)CC(=O)C(F)(F)F,CCC(=O)CC(=O)C(F)(F)F,"InChI=1/C6H7F3O2/c1-2-4(10)3-5(11)6(7,8)9/h2-3H2,1H3",C6H7F3O2,,,,,,SBRYTXXHTKCMFT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.297,206-925-8,400-74-8,"a,a,a-2-tetrafluorotoluene",1-fluoro-4-nitro-2-(trifluoromethyl)benzene,Fc1ccc(cc1C(F)(F)F)N(=O)=O,Fc1ccc(cc1C(F)(F)F)N(=O)=O,"InChI=1/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H",C7H3F4NO2,,,,,,DNTHMWUMRGOJRY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.303,206-932-6,401-78-5,"3-bromo-a,a,a-trifluorotoluene",1-bromo-3-(trifluoromethyl)benzene,FC(F)(F)c1cccc(Br)c1,FC(F)(F)c1cccc(Br)c1,"InChI=1/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H",C7H4BrF3,,,,,,NNMBNYHMJRJUBC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.305,206-934-7,401-81-0,"a,a,a-trifluoro-m-iodotoluene",1-iodo-3-(trifluoromethyl)benzene,FC(F)(F)c1cccc(I)c1,FC(F)(F)c1cccc(I)c1,"InChI=1/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H",C7H4F3I,,,,,,IGISPMBUGPHLBY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.306,206-935-2,401-99-0,"a,a,a-trifluoro-3,5-dinitrotoluene","1,3-dinitro-5-(trifluoromethyl)benzene",[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-],[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-],"InChI=1/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H",C7H3F3N2O4,,,,,,QZADIXWDDVQVKM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.307,206-936-8,402-11-9,2-chloro-1-nitro-4-(trifluoromethyl)benzene,2-chloro-1-nitro-4-(trifluoromethyl)benzene,[O-][N+](=O)c1ccc(cc1Cl)C(F)(F)F,[O-][N+](=O)c1ccc(cc1Cl)C(F)(F)F,"InChI=1/C7H3ClF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H",C7H3ClF3NO2,,,,,,CZWWSPDHNLAYRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.682,210-648-8,620-68-8,"Propane-1,2,3-triyl trivalerate","propane-1,2,3-triyl tripentanoate",CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC,CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC,"InChI=1/C18H32O6/c1-4-7-10-16(19)22-13-15(24-18(21)12-9-6-3)14-23-17(20)11-8-5-2/h15H,4-14H2,1-3H3",C18H32O6,,,,,,PZJLFHDNXGAZHU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.683,210-649-3,620-71-3,Propionanilide,N-phenylpropanamide,CCC(=O)Nc1ccccc1,CCC(=O)Nc1ccccc1,"InChI=1/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)",C9H11NO,,,,,,ZTHRQJQJODGZHV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.037,230-841-0,8/12/7335,cis-4-phenylcyclohexan-1-ol,4-phenylcyclohexanol,O[C@@H]1CC[C@@H](CC1)c2ccccc2,O[C@@H]1CC[C@@H](CC1)c2ccccc2,"InChI=1/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2",C12H16O,,,,,,YVVUSIMLVPJXMY-TXEJJXNPSA-N,,,,,,,,,,,
100.028.042,230-846-8,7336-19-8,"Sodium 2,6-diaminotoluene-4-sulphonate","sodium 3,5-diamino-4-methylbenzenesulfonate",[Na+].Cc1c(N)cc(cc1N)S(=O)(=O)[O-],[Na+].Cc1c(N)cc(cc1N)S(=O)(=O)[O-],"InChI=1/C7H10N2O3S.Na/c1-4-6(8)2-5(3-7(4)9)13(10,11)12;/h2-3H,8-9H2,1H3,(H,10,11,12);/q;+1/p-1",C7H10N2O3S.Na,,,,,,SHIDSGHHUIZANB-UHFFFAOYSA-M,,,,,,,,,,,
100.028.044,230-848-9,7336-25-6,"N-(2,3-dihydroxypropyl)stearamide","N-(2,3-dihydroxypropyl)octadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCC(O)CO,CCCCCCCCCCCCCCCCCC(=O)NCC(O)CO,"InChI=1/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-18-20(24)19-23/h20,23-24H,2-19H2,1H3,(H,22,25)",C21H43NO3,,,,,,ILMOLWSTFFMGGB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.055,230-860-4,7342-39-4,Triisobutyltin bromide,triisobutylstannanylium bromide,[Br-].CC(C)C[Sn+](CC(C)C)CC(C)C,[Br-].CC(C)C[Sn+](CC(C)C)CC(C)C,"InChI=1/3C4H9.BrH.Sn/c3*1-4(2)3;;/h3*4H,1H2,2-3H3;1H;/q;;;;+1/p-1/rC12H27Sn.BrH/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;1H/q+1;/p-1",C12H27BrSn,,,,,,YQQBSHJWYVTQTA-UHFFFAOYSA-M,,,,,,,,,,,
100.028.062,230-868-8,7346-41-0,"2-chlorotricyclo[3.3.1.13,7]decane",2-chloroadamantane,ClC1C2CC3CC(CC1C3)C2,ClC1C2CC3CC(CC1C3)C2,"InChI=1/C10H15Cl/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2",C10H15Cl,,,,,,DPCLLPAHJSYBTE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.065,230-871-4,7346-79-4,Cyclohexylammonium acetate,cyclohexanaminium acetate,CC(=O)[O-].[NH3+]C1CCCCC1,CC(=O)[O-].[NH3+]C1CCCCC1,"InChI=1/C6H13N.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h6H,1-5,7H2;1H3,(H,3,4)",C6H13N.C2H4O2,,,,,,XDMMMGGRRNTWML-UHFFFAOYSA-N,,,,,,,,,,,
100.028.067,230-874-0,7347-19-5,"2-(2,4,6-tribromophenoxy)ethyl acrylate","2-(2,4,6-tribromophenoxy)ethyl acrylate",Brc1cc(Br)c(OCCOC(=O)C=C)c(Br)c1,Brc1cc(Br)c(OCCOC(=O)C=C)c(Br)c1,"InChI=1/C11H9Br3O3/c1-2-10(15)16-3-4-17-11-8(13)5-7(12)6-9(11)14/h2,5-6H,1,3-4H2",C11H9Br3O3,,,,,,AMBJXYFIMKHOQE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.068,230-875-6,7347-25-3,Sodium taurinate,sodium 2-aminoethanesulfonate,[Na+].NCCS(=O)(=O)[O-],[Na+].NCCS(=O)(=O)[O-],"InChI=1/C2H7NO3S.Na/c3-1-2-7(4,5)6;/h1-3H2,(H,4,5,6);/q;+1/p-1",C2H7NO3S.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5989,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.068,GWLWWNLFFNJPDP-UHFFFAOYSA-M,,,,,,,,,,,
100.028.071,230-878-2,7351-61-3,3-(trichlorosilyl)propyl methacrylate,3-(trichlorosilyl)propyl methacrylate,CC(=C)C(=O)OCCC[Si](Cl)(Cl)Cl,CC(=C)C(=O)OCCC[Si](Cl)(Cl)Cl,"InChI=1/C7H11Cl3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3",C7H11Cl3O2Si,,,,,,DOGMJCPBZJUYGB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.032,226-435-8,5399-63-3,Potassium hydrogen 4-sulphonatobenzoate,potassium hydrogen 4-sulfonatobenzoate,[K+].[O-]C(=O)c1ccc(cc1)S(=O)(=O)[O-],[K+].[O-]C(=O)c1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H6O5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-2",C7H6O5S.K,,,,,,PXRJBUPXKDXDLG-UHFFFAOYSA-L,,,,,,,,,,,
100.024.036,226-440-5,5400-20-4,N-(6-hydroxy-1-naphthyl)acetamide,N-(6-hydroxy-1-naphthyl)acetamide,CC(=O)Nc1cccc2cc(O)ccc12,CC(=O)Nc1cccc2cc(O)ccc12,"InChI=1/C12H11NO2/c1-8(14)13-12-4-2-3-9-7-10(15)5-6-11(9)12/h2-7,15H,1H3,(H,13,14)",C12H11NO2,,,,,,BWGYGWYDRUDOSS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.037,226-441-0,5400-70-4,Sodium trinitrobenzenesulphonate,"sodium 2,4,6-trinitrobenzenesulfonate",[Na+].O=S([O-])(=O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,[Na+].O=S([O-])(=O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C6H3N3O9S.Na/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;/h1-2H,(H,16,17,18);/q;+1/p-1",C6H3N3O9S.Na,,,,,,NCGJACBPALRHNG-UHFFFAOYSA-M,,,,,,,,,,,
100.024.042,226-446-8,5400-94-2,Benzyltriethylammonium iodide,"N-benzyl-N,N-diethylethanaminium iodide",[I-].CC[N+](CC)(CC)Cc1ccccc1,[I-].CC[N+](CC)(CC)Cc1ccccc1,"InChI=1/C13H22N.HI/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1",C13H22N.I,,,,,,JWLJBISFJGEYMT-UHFFFAOYSA-M,,,,,,,,,,,
100.024.044,226-448-9,5401-17-2,2-(2-hydroxyethoxy)ethyl (R)-12-hydroxyoleate,2-(2-hydroxyethoxy)ethyl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCCOCCO,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCCOCCO,"InChI=1/C22H42O5/c1-2-3-4-11-14-21(24)15-12-9-7-5-6-8-10-13-16-22(25)27-20-19-26-18-17-23/h9,12,21,23-24H,2-8,10-11,13-20H2,1H3",C22H42O5,,,,,,QUYITUXSUUKIRL-ZDKIGPTLSA-N,,,,,,,,,,,
100.024.050,226-455-7,5405-15-2,N-benzyl-p-toluidine,N-benzyl-4-methylaniline,Cc1ccc(NCc2ccccc2)cc1,Cc1ccc(NCc2ccccc2)cc1,"InChI=1/C14H15N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3",C14H15N,,,,,,KEVOWRWHMCBERP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.053,226-458-3,5405-58-3,Ethylidenebis(oxy)dihexane,"1,1'-[ethane-1,1-diylbis(oxy)]dihexane",CCCCCCOC(C)OCCCCCC,CCCCCCOC(C)OCCCCCC,"InChI=1/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3",C14H30O2,,,,,,VSFOOCQEJQKBSO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.057,226-463-0,5406-18-8,3-(4-methoxyphenyl)propan-1-ol,3-(4-methoxyphenyl)propan-1-ol,COc1ccc(CCCO)cc1,COc1ccc(CCCO)cc1,"InChI=1/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3",C10H14O2,,,,,,NIIDHUCLROLCBU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.252,206-876-2,392-56-3,Hexafluorobenzene,hexafluorobenzene,Fc1c(F)c(F)c(F)c(F)c1F,Fc1c(F)c(F)c(F)c(F)c1F,InChI=1/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6F6,,,,,,ZQBFAOFFOQMSGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.255,206-879-9,392-83-6,"2-bromo-a,a,a-trifluorotoluene",1-bromo-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1Br,FC(F)(F)c1ccccc1Br,"InChI=1/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",C7H4BrF3,,,,,,RWXUNIMBRXGNEP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.257,206-882-5,392-86-9,2-aminobenzenesulphonyl fluoride,2-aminobenzenesulfonyl fluoride,Nc1ccccc1S(=O)(=O)F,Nc1ccccc1S(=O)(=O)F,"InChI=1/C6H6FNO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H,8H2",C6H6FNO2S,,,,,,OYJFEOGFHBNHRT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.746,209-619-2,588-46-5,N-benzylacetamide,N-benzylacetamide,CC(=O)NCc1ccccc1,CC(=O)NCc1ccccc1,"InChI=1/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)",C9H11NO,,,,,,UZJLYRRDVFWSGA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.747,209-620-8,588-53-4,4-benzylideneaminophenol,4-(benzylideneamino)phenol,Oc2ccc(N=Cc1ccccc1)cc2,Oc2ccc(N=Cc1ccccc1)cc2,"InChI=1/C13H11NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10,15H",C13H11NO,,,,,,BVTLIIQDQAUXOI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.748,209-621-3,588-59-0,Stilbene,"1,1'-ethene-1,2-diyldibenzene",C(=C\\c1ccccc1)/c2ccccc2,C(=C\c1ccccc1)/c2ccccc2,InChI=1/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H,C14H12,,,,,,PJANXHGTPQOBST-VAWYXSNFSA-N,,,,,,,,,,,
100.009.630,210-591-9,619-33-0,"1,1-dichloro-2,2-diethoxyethane","1,1-dichloro-2,2-diethoxyethane",CCOC(OCC)C(Cl)Cl,CCOC(OCC)C(Cl)Cl,"InChI=1/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3",C6H12Cl2O2,,,,,,CDHLQZJRWKQATP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.633,210-595-0,619-41-0,2-bromo-4'-methylacetophenone,2-bromo-1-(4-methylphenyl)ethanone,Cc1ccc(cc1)C(=O)CBr,Cc1ccc(cc1)C(=O)CBr,"InChI=1/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3",C9H9BrO,,,,,,KRVGXFREOJHJAX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.634,210-596-6,619-42-1,Methyl 4-bromobenzoate,methyl 4-bromobenzoate,COC(=O)c1ccc(Br)cc1,COC(=O)c1ccc(Br)cc1,"InChI=1/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3",C8H7BrO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18507,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.634,CZNGTXVOZOWWKM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.640,210-602-7,619-57-8,p-hydroxybenzamide,4-hydroxybenzamide,NC(=O)c1ccc(O)cc1,NC(=O)c1ccc(O)cc1,"InChI=1/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)",C7H7NO2,,,,,,QXSAKPUBHTZHKW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.647,210-610-0,619-72-7,4-nitrobenzonitrile,4-nitrobenzonitrile,[O-][N+](=O)c1ccc(cc1)C#N,[O-][N+](=O)c1ccc(cc1)C#N,InChI=1/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,C7H4N2O2,,,,,,NKJIFDNZPGLLSH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.657,210-621-0,619-99-8,3-ethylhexane,3-ethylhexane,CCCC(CC)CC,CCCC(CC)CC,"InChI=1/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3",C8H18,,,,,,SFRKSDZMZHIISH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.658,210-622-6,620-02-0,5-methylfurfural,5-methyl-2-furaldehyde,Cc1oc(C=O)cc1,Cc1oc(C=O)cc1,"InChI=1/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",C6H6O2,,,,,,OUDFNZMQXZILJD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.661,210-625-2,620-13-3,a-bromo-m-xylene,1-(bromomethyl)-3-methylbenzene,Cc1cccc(CBr)c1,Cc1cccc(CBr)c1,"InChI=1/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3",C8H9Br,,,,,,FWLWTILKTABGKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.662,210-626-8,620-14-4,3-ethyltoluene,1-ethyl-3-methylbenzene,CCc1cccc(C)c1,CCc1cccc(C)c1,"InChI=1/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",C9H12,,,,,,ZLCSFXXPPANWQY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.663,210-627-3,620-17-7,3-ethylphenol,3-ethylphenol,CCc1cccc(O)c1,CCc1cccc(O)c1,"InChI=1/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3",C8H10O,,,,,,HMNKTRSOROOSPP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.665,210-629-4,620-20-2,"a,3-dichlorotoluene",1-chloro-3-(chloromethyl)benzene,ClCc1cccc(Cl)c1,ClCc1cccc(Cl)c1,"InChI=1/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",C7H6Cl2,,,,,,DDGRAFHHXYIQQR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.667,210-632-0,620-23-5,m-tolualdehyde,3-methylbenzaldehyde,Cc1cccc(C=O)c1,Cc1cccc(C=O)c1,"InChI=1/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3",C8H8O,,,,,,OVWYEQOVUDKZNU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.673,210-638-3,620-40-6,Tribenzylamine,"N,N-dibenzyl-1-phenylmethanamine",C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3,C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3,"InChI=1/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2",C21H21N,,,,,,MXHTZQSKTCCMFG-UHFFFAOYSA-N,Positive,SM837601,[M+H]+,HCD35,91.0542:288.1746:181.101,CASMI_2016,,,,,
100.009.675,210-640-4,620-45-1,"Sodium 4-(3,5-dichloro-4-oxocyclohexa-2,5-dienylideneamino)phenoxide","sodium 4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate",[Na]Oc1ccc(cc1)N=C2C=C(Cl)C(=O)C(=C2)Cl,[Na]Oc1ccc(cc1)N=C2C=C(Cl)C(=O)C(=C2)Cl,"InChI=1/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1",C12H7Cl2NO2.Na,,,,,,CVSUAFOWIXUYQA-UHFFFAOYSA-M,,,,,,,,,,,
100.010.010,211-010-1,627-75-8,D-arginine hydrochloride,D-arginine hydrochloride,Cl.N[C@H](CCCNC(=N)N)C(=O)O,Cl.N[C@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H",C6H14N4O2.ClH,,,,,,KWTQSFXGGICVPE-PGMHMLKASA-N,,,,,,,,,,,
100.010.018,211-019-0,627-91-8,Methyl hydrogen adipate,6-methoxy-6-oxohexanoic acid,COC(=O)CCCCC(=O)O,COC(=O)CCCCC(=O)O,"InChI=1/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)",C7H12O4,,,,,,UOBSVARXACCLLH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.024,211-025-3,628-05-7,1-nitropentane,1-nitropentane,CCCCC[N+](=O)[O-],CCCCC[N+](=O)[O-],"InChI=1/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3",C5H11NO2,,,,,,BVALZCVRLDMXOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.025,211-026-9,628-12-6,2-methoxyethyl chloroformate,2-methoxyethyl chlorocarbonate,COCCOC(=O)Cl,COCCOC(=O)Cl,"InChI=1/C4H7ClO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3",C4H7ClO3,,,,,,NDYYWMXJZWHRLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.031,211-033-7,628-28-4,Butyl methyl ether,1-methoxybutane,CCCCOC,CCCCOC,"InChI=1/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3",C5H12O,,,,,,CXBDYQVECUFKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.032,211-034-2,628-29-5,Butyl methyl sulphide,1-(methylsulfanyl)butane,CCCCSC,CCCCSC,"InChI=1/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3",C5H12S,,,,,,WCXXISMIJBRDQK-UHFFFAOYSA-N,,,,,,,,,,,
100.010.033,211-035-8,628-30-8,Propyl isothiocyanate,1-isothiocyanatopropane,CCCN=C=S,CCCN=C=S,"InChI=1/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3",C4H7NS,,,,,,KKASGUHLXWAKEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.040,211-043-1,628-41-1,"Cyclohexa-1,4-diene","cyclohexa-1,4-diene",C1C=CCC=C1,C1C=CCC=C1,"InChI=1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2",C6H8,,,,,,UVJHQYIOXKWHFD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.043,211-046-8,628-61-5,2-chlorooctane,2-chlorooctane,CCCCCCC(C)Cl,CCCCCCC(C)Cl,"InChI=1/C8H17Cl/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3",C8H17Cl,,,,,,HKDCIIMOALDWHF-UHFFFAOYSA-N,,,,,,,,,,,
100.010.044,211-047-3,628-63-7,Pentyl acetate,pentyl acetate,CCCCCOC(=O)C,CCCCCOC(=O)C,"InChI=1/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",C7H14O2,,,,,,PGMYKACGEOXYJE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.052,211-056-2,628-83-1,Butyl thiocyanate,butyl thiocyanate,CCCCSC#N,CCCCSC#N,"InChI=1/C5H9NS/c1-2-3-4-7-5-6/h2-4H2,1H3",C5H9NS,,,,,,HXNXAEYAXNPLHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.010.054,211-058-3,628-87-5,Iminodiacetonitrile,"2,2'-iminodiacetonitrile",N#CCNCC#N,N#CCNCC#N,"InChI=1/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2",C4H5N3,,,,,,BSRDNMMLQYNQQD-UHFFFAOYSA-N,,,,,,,,,,,
100.011.727,212-899-9,878-13-7,Cycloundecanone,cycloundecanone,O=C1CCCCCCCCCC1,O=C1CCCCCCCCCC1,InChI=1/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2,C11H20O,,,,,,UPOSSYJVWXLPTA-UHFFFAOYSA-N,,,,,,,,,,,
100.011.731,212-903-9,879-18-5,1-naphthoyl chloride,1-naphthoyl chloride,ClC(=O)c1cccc2ccccc12,ClC(=O)c1cccc2ccccc12,InChI=1/C11H7ClO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C11H7ClO,,,,,,NSNPSJGHTQIXDO-UHFFFAOYSA-N,,,,,,,,,,,
100.011.732,212-904-4,879-37-8,1H-indole-3-acetamide,2-(1H-indol-3-yl)acetamide,NC(=O)Cc1c[nH]c2ccccc12,NC(=O)Cc1c[nH]c2ccccc12,"InChI=1/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)",C10H10N2O,,,,,,ZOAMBXDOGPRZLP-UHFFFAOYSA-N,,,,,,,,,,,
100.011.738,212-911-2,880-09-1,Dipiperidinomethane,"1,1'-methylenedipiperidine",C(N1CCCCC1)N2CCCCC2,C(N1CCCCC1)N2CCCCC2,InChI=1/C11H22N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-11H2,C11H22N2,,,,,,LRKYLKBLUJXTFL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.742,212-915-4,880-78-4,Pentafluoronitrobenzene,"1,2,3,4,5-pentafluoro-6-nitrobenzene",[O-][N+](=O)c1c(F)c(F)c(F)c(F)c1F,[O-][N+](=O)c1c(F)c(F)c(F)c(F)c1F,InChI=1/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9,C6F5NO2,,,,,,INUOFQAJCYUOJR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.748,212-922-2,881-95-8,(±)-a-[(methylamino)methyl]vanillyl alcohol hydrochloride,4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol hydrochloride,Cl.CNCC(O)c1ccc(O)c(OC)c1,Cl.CNCC(O)c1ccc(O)c(OC)c1,"InChI=1/C10H15NO3.ClH/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;/h3-5,9,11-13H,6H2,1-2H3;1H",C10H15NO3.ClH,,,,,,HRIQFVCFOPJYEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.759,212-934-8,883-87-4,"(S)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylisoquinolinium chloride","6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolinium chloride",[Cl-].COc1cc2CC[NH2+][C@@H](C)c2cc1OC,[Cl-].COc1cc2CC[NH2+][C@@H](C)c2cc1OC,"InChI=1/C12H17NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h6-8,13H,4-5H2,1-3H3;1H",C12H17NO2.ClH,,,,,,UJXLTDHDLUBZBL-QRPNPIFTSA-N,,,,,,,,,,,
100.011.761,212-936-9,883-99-8,Methyl 3-hydroxy-2-naphthoate,methyl 3-hydroxy-2-naphthoate,COC(=O)c1cc2ccccc2cc1O,COC(=O)c1cc2ccccc2cc1O,"InChI=1/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3",C12H10O3,,,,,,YVVBECLPRBAATK-UHFFFAOYSA-N,,,,,,,,,,,
100.011.762,212-937-4,884-36-6,Cyclododecanecarboxylic acid,cyclododecanecarboxylic acid,OC(=O)C1CCCCCCCCCCC1,OC(=O)C1CCCCCCCCCCC1,"InChI=1/C13H24O2/c14-13(15)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,14,15)",C13H24O2,,,,,,JWIPDQOXAJMVHL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.684,210-650-9,620-73-5,Phenyl chloroacetate,phenyl chloroacetate,ClCC(=O)Oc1ccccc1,ClCC(=O)Oc1ccccc1,"InChI=1/C8H7ClO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2",C8H7ClO2,,,,,,AGUWUIVKDXDKBT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.687,210-654-0,620-82-6,Dicyclohexyl oxalate,dicyclohexyl oxalate,O=C(OC1CCCCC1)C(=O)OC2CCCCC2,O=C(OC1CCCCC1)C(=O)OC2CCCCC2,"InChI=1/C14H22O4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h11-12H,1-10H2",C14H22O4,,,,,,YJZRTAHDRCUJQT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.691,210-658-2,620-92-8,"4,4'-methylenediphenol","4,4'-methylenediphenol",Oc1ccc(Cc2ccc(O)cc2)cc1,Oc1ccc(Cc2ccc(O)cc2)cc1,"InChI=1/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2",C13H12O2,,,,,,PXKLMJQFEQBVLD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.692,210-659-8,620-93-9,Di-p-tolylamine,4-methyl-N-(4-methylphenyl)aniline,Cc1ccc(Nc2ccc(C)cc2)cc1,Cc1ccc(Nc2ccc(C)cc2)cc1,"InChI=1/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3",C14H15N,,,,,,RHPVVNRNAHRJOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.695,210-662-4,620-99-5,Phenacaine hydrochloride,"N,N'-bis(4-ethoxyphenyl)ethanimidamide hydrochloride",Cl.CCOc1ccc(cc1)NC(C)=Nc2ccc(OCC)cc2,Cl.CCOc1ccc(cc1)NC(C)=Nc2ccc(OCC)cc2,"InChI=1/C18H22N2O2.ClH/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2;/h6-13H,4-5H2,1-3H3,(H,19,20);1H",C18H22N2O2.ClH,,,,,,RRRKUSYYBYVFMC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.701,210-669-2,621-09-0,"N,N'-diphenylacetamidine","N,N'-diphenylethanimidamide",CC(=Nc1ccccc1)Nc2ccccc2,CC(=Nc1ccccc1)Nc2ccccc2,"InChI=1/C14H14N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16)",C14H14N2,,,,,,CLWIJUQLAFJNOF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.705,210-673-4,621-23-8,"O,O,O-1,3,5-trimethylresorcinol","1,3,5-trimethoxybenzene",COc1cc(OC)cc(OC)c1,COc1cc(OC)cc(OC)c1,"InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3",C9H12O3,,,,,,LKUDPHPHKOZXCD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.713,210-682-3,621-35-2,3-acetamidoanilinium chloride,3-acetamidoanilinium chloride,[Cl-].CC(=O)Nc1cccc([NH3+])c1,[Cl-].CC(=O)Nc1cccc([NH3+])c1,"InChI=1/C8H10N2O.ClH/c1-6(11)10-8-4-2-3-7(9)5-8;/h2-5H,9H2,1H3,(H,10,11);1H",C8H10N2O.ClH,,,,,,NALDFXSDXQXFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.715,210-684-4,621-37-4,m-hydroxyphenylacetic acid,(3-hydroxyphenyl)acetic acid,OC(=O)Cc1cccc(O)c1,OC(=O)Cc1cccc(O)c1,"InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",C8H8O3,,,,,,FVMDYYGIDFPZAX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.719,210-689-1,621-50-1,3-nitrophenylacetonitrile,(3-nitrophenyl)acetonitrile,[O-][N+](=O)c1cccc(CC#N)c1,[O-][N+](=O)c1cccc(CC#N)c1,"InChI=1/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2",C8H6N2O2,,,,,,WAVKEPUFQMUGBP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.720,210-690-7,621-51-2,3-ethoxybenzoic acid,3-ethoxybenzoic acid,CCOc1cccc(c1)C(=O)O,CCOc1cccc(c1)C(=O)O,"InChI=1/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)",C9H10O3,,,,,,DTFQMPQJMDEWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.723,210-693-3,621-56-7,"3-(diethylamino)propane-1,2-diol","3-(diethylamino)propane-1,2-diol",CCN(CC)CC(O)CO,CCN(CC)CC(O)CO,"InChI=1/C7H17NO2/c1-3-8(4-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3",C7H17NO2,,,,,,LTACQVCHVAUOKN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.726,210-697-5,621-63-6,"2,2-diethoxyethanol","2,2-diethoxyethanol",CCOC(CO)OCC,CCOC(CO)OCC,"InChI=1/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3",C6H14O3,,,,,,IKKUKDZKIIIKJK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.727,210-698-0,621-64-7,Nitrosodipropylamine,N-nitroso-N-propylpropan-1-amine,CCCN(CCC)N=O,CCCN(CCC)N=O,"InChI=1/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3",C6H14N2O,,,,,,YLKFDHTUAUWZPQ-UHFFFAOYSA-N,Positive,EQ345601|EQ345602|EQ345603|EQ345604|EQ345605|EQ345606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,89.0709:131.118:53.0022|89.0709:131.1179:53.0022|89.0709:131.1179:53.0022|89.0709:53.0022:131.1179|53.0022:89.071:53.9975|53.0022:53.9974:89.0709,Eawag,,,,,
100.009.730,210-702-0,621-71-6,Glycerol tridecanoate,"propane-1,2,3-triyl tridecanoate",CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3",C33H62O6,,,,,,LADGBHLMCUINGV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.969,208-764-9,541-02-6,Decamethylcyclopentasiloxane,"2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentoxapentasilecane",C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3",C10H30O5Si5,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14807,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.969,XMSXQFUHVRWGNA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.970,208-765-4,541-05-9,Hexamethylcyclotrisiloxane,"2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3",C6H18O3Si3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14554,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.970,HTDJPCNNEPUOOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.981,208-778-5,541-41-3,Ethyl chloroformate,ethyl chlorocarbonate,CCOC(=O)Cl,CCOC(=O)Cl,"InChI=1/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3",C3H5ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13646,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.981,RIFGWPKJUGCATF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.983,208-780-6,541-43-5,Barium diformate,barium diformate,[Ba+2].[O-]C=O.[O-]C=O,[Ba+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Ba/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Ba,,,,,,UXFOSWFWQAUFFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.059,226-465-1,5406-57-5,"Ethyl 4-(1,1-dimethylethyl)benzoate",ethyl 4-tert-butylbenzoate,CCOC(=O)c1ccc(cc1)C(C)(C)C,CCOC(=O)c1ccc(cc1)C(C)(C)C,"InChI=1/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3",C13H18O2,,,,,,LIQWHXBLFOERRD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.066,226-473-5,5407-98-7,Cyclobutyl phenyl ketone,cyclobutyl(phenyl)methanone,O=C(C1CCC1)c2ccccc2,O=C(C1CCC1)c2ccccc2,"InChI=1/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",C11H12O,,,,,,MVEBDOSCXOQNAR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.068,226-475-6,5408-74-2,5-ethyl-2-vinylpyridine,5-ethyl-2-vinylpyridine,CCc1ccc(C=C)nc1,CCc1ccc(C=C)nc1,"InChI=1/C9H11N/c1-3-8-5-6-9(4-2)10-7-8/h4-7H,2-3H2,1H3",C9H11N,,,,,,YQUDMNIUBTXLSX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.069,226-476-1,5408-86-6,"2,3-dibromobutane","2,3-dibromobutane",CC(Br)C(C)Br,CC(Br)C(C)Br,"InChI=1/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3",C4H8Br2,,,,,,BXXWFOGWXLJPPA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.075,226-482-4,5409-60-9,"4,4-diphenylbutan-2-one","4,4-diphenylbutan-2-one",CC(=O)CC(c1ccccc1)c2ccccc2,CC(=O)CC(c1ccccc1)c2ccccc2,"InChI=1/C16H16O/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3",C16H16O,,,,,,FPHXYKLKNOEKTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.082,226-490-8,5411-48-3,Bis(2-chloroethyl) sulphate,bis(2-chloroethyl) sulfate,ClCCOS(=O)(=O)OCCCl,ClCCOS(=O)(=O)OCCCl,"InChI=1/C4H8Cl2O4S/c5-1-3-9-11(7,8)10-4-2-6/h1-4H2",C4H8Cl2O4S,,,,,,IFSGLNRHVHNLRK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.643,230-407-0,7098-22-8,Tetratetracontane,tetratetracontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3",C44H90,,,,,,KMXFZRSJMDYPPG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.645,230-409-1,4/07/7100,Iron lactate,iron(2+) bis(2-hydroxypropanoate),[Fe].OC(=O)C(C)O,[Fe].OC(=O)C(C)O,"InChI=1/C3H6O3.Fe/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+2",C3H6O3.xFe,,,,,,UUGUGLBRYMQUHN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.646,230-410-7,7101-31-7,Dimethyl diselenide,dimethyldiselane,C[Se][Se]C,C[Se][Se]C,InChI=1/C2H6Se2/c1-3-4-2/h1-2H3,C2H6Se2,,,,,,VLXBWPOEOIIREY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.647,230-411-2,7101-46-4,Tetraammonium (1-hydroxyethylidene)bisphosphonate,"tetraammonium (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.4H3N/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);4*1H3",C2H8O7P2.4H3N,,,,,,KRPCKNGWBDZBKL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.650,230-414-9,7111-29-7,(1R-cis)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate,5-isopropenyl-2-methylcyclohex-2-en-1-yl acetate,CC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C,CC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C,"InChI=1/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3",C12H18O2,,,,,,YTHRBOFHFYZBRJ-VXGBXAGGSA-N,,,,,,,,,,,
100.027.653,230-418-0,7116-48-5,"Ethyl 1,3-benzodioxole-5-propionate","ethyl 3-(1,3-benzodioxol-5-yl)propanoate",CCOC(=O)CCc1ccc2OCOc2c1,CCOC(=O)CCc1ccc2OCOc2c1,"InChI=1/C12H14O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3,5,7H,2,4,6,8H2,1H3",C12H14O4,,,,,,SHFDGDJEJOHKSV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.661,230-426-4,7128-64-5,"2,5-thiophenediylbis(5-tert-butyl-1,3-benzoxazole)","2,2'-thiene-2,5-diylbis(5-tert-butyl-1,3-benzoxazole)",CC(C)(C)c1ccc2oc(nc2c1)c3ccc(s3)c4oc5ccc(cc5n4)C(C)(C)C,CC(C)(C)c1ccc2oc(nc2c1)c3ccc(s3)c4oc5ccc(cc5n4)C(C)(C)C,"InChI=1/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3",C26H26N2O2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10402,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.661,AIXZBGVLNVRQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.663,230-429-0,7128-91-8,Hexadecyldimethylamine N-oxide,hexadecyl(dimethyl)amine oxide,CCCCCCCCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h4-18H2,1-3H3",C18H39NO,,,,,,IBOBFGGLRNWLIL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.665,230-431-1,7133-37-1,(methylthio)cyclohexane,(methylsulfanyl)cyclohexane,CSC1CCCCC1,CSC1CCCCC1,"InChI=1/C7H14S/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3",C7H14S,,,,,,QQBIOCGHCKNYGP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.667,230-433-2,6/05/7134,5-hydroxytoluene-2-sulphonic acid,4-hydroxy-2-methylbenzenesulfonic acid,Cc1cc(O)ccc1S(=O)(=O)O,Cc1cc(O)ccc1S(=O)(=O)O,"InChI=1/C7H8O4S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)",C7H8O4S,,,,,,PYPXOMYXFFYJIF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.670,230-436-9,7138-40-1,Heptacosanoic acid,heptacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)",C27H54O2,,,,,,VXZBFBRLRNDJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.676,210-642-5,620-55-3,1-nitro-3-phenoxybenzene,1-nitro-3-phenoxybenzene,[O-][N+](=O)c1cccc(Oc2ccccc2)c1,[O-][N+](=O)c1cccc(Oc2ccccc2)c1,InChI=1/C12H9NO3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,C12H9NO3,,,,,,MEYCCIQOLYYNLD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.914,208-704-1,538-75-0,Dicyclohexylcarbodiimide,"N,N'-dicyclohexylcarbodiimide",C1CCC(CC1)N=C=NC2CCCCC2,C1CCC(CC1)N=C=NC2CCCCC2,"InChI=1/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2",C13H22N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12761,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.914,QOSSAOTZNIDXMA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.915,208-705-7,538-86-3,Benzyl methyl ether,(methoxymethyl)benzene,COCc1ccccc1,COCc1ccccc1,"InChI=1/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C8H10O,,,,,,GQKZBCPTCWJTAS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.916,208-706-2,538-93-2,Isobutylbenzene,isobutylbenzene,CC(C)Cc1ccccc1,CC(C)Cc1ccccc1,"InChI=1/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C10H14,,,,,,KXUHSQYYJYAXGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.924,208-715-1,539-32-2,3-butylpyridine,3-butylpyridine,CCCCc1cccnc1,CCCCc1cccnc1,"InChI=1/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3",C9H13N,,,,,,QSNMFWFDOFQASV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.925,208-716-7,539-43-5,p-tolylmercury chloride,(4-methylphenyl)mercury(1+) chloride,[Cl-].Cc1ccc([Hg+])cc1,[Cl-].Cc1ccc([Hg+])cc1,"InChI=1/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1/rC7H7Hg.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,1H3;1H/q+1;/p-1",C7H7ClHg,,,,,,PWIXOHDPHIQCLY-UHFFFAOYSA-M,,,,,,,,,,,
100.007.928,208-719-3,539-48-0,p-phenylenebis(methylamine),"1,4-phenylenedimethanamine",NCc1ccc(CN)cc1,NCc1ccc(CN)cc1,"InChI=1/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2",C8H12N2,,,,,,ISKQADXMHQSTHK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.932,208-724-0,539-74-2,Ethyl 3-bromopropionate,ethyl 3-bromopropanoate,CCOC(=O)CCBr,CCOC(=O)CCBr,"InChI=1/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3",C5H9BrO2,,,,,,FQTIYMRSUOADDK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.935,208-727-7,539-86-6,S-allyl acrylo-1-sulphinothioate,S-allyl prop-2-ene-1-sulfinothioate,C=CCSS(=O)CC=C,C=CCSS(=O)CC=C,"InChI=1/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2",C6H10OS2,,,,,,JDLKFOPOAOFWQN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.937,208-729-8,539-90-2,Isobutyl butyrate,isobutyl butyrate,CCCC(=O)OCC(C)C,CCCC(=O)OCC(C)C,"InChI=1/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3",C8H16O2,,,,,,RGFNRWTWDWVHDD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.939,208-731-9,539-93-5,"2-hydroxypropane-1,3-diyl dilaurate","2-hydroxypropane-1,3-diyl didodecanoate",CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC,"InChI=1/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-23-25(28)24-32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3",C27H52O5,,,,,,KUVAEMGNHJQSMH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.947,208-740-8,540-23-8,p-toluidinium chloride,4-methylanilinium chloride,[Cl-].Cc1ccc([NH3+])cc1,[Cl-].Cc1ccc([NH3+])cc1,"InChI=1/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;1H",C7H9N.ClH,,,,,,JQKBUTDZZRGQDR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.953,208-747-6,540-49-8,"1,2-dibromoethylene","1,2-dibromoethene",Br\\C=C\\Br,Br\C=C\Br,InChI=1/C2H2Br2/c3-1-2-4/h1-2H,C2H2Br2,,,,,,UWTUEMKLYAGTNQ-OWOJBTEDSA-N,,,,,,,,,,,
100.007.954,208-748-1,540-51-2,2-bromoethanol,2-bromoethanol,OCCBr,OCCBr,"InChI=1/C2H5BrO/c3-1-2-4/h4H,1-2H2",C2H5BrO,,,,,,LDLCZOVUSADOIV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.956,208-750-2,540-59-0,"1,2-dichloroethylene","1,2-dichloroethene",Cl\\C=C\\Cl,Cl\C=C\Cl,InChI=1/C2H2Cl2/c3-1-2-4/h1-2H,C2H2Cl2,,,,,,KFUSEUYYWQURPO-OWOJBTEDSA-N,,,,,,,,,,,
100.007.957,208-751-8,540-61-4,Aminoacetonitrile,aminoacetonitrile,NCC#N,NCC#N,"InChI=1/C2H4N2/c3-1-2-4/h1,3H2",C2H4N2,,,,,,DFNYGALUNNFWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.959,208-753-9,540-69-2,Ammonium formate,ammonium formate,[NH4+].[O-]C=O,[NH4+].[O-]C=O,"InChI=1/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3",CH2O2.H3N,,,,,,VZTDIZULWFCMLS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.961,208-756-5,540-75-0,Choline borate,"tris(2-hydroxy-N,N,N-trimethylethanaminium) borate",C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.[O-]B([O-])[O-],C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.[O-]B([O-])[O-],"InChI=1/3C5H14NO.BO3/c3*1-6(2,3)4-5-7;2-1(3)4/h3*7H,4-5H2,1-3H3;/q3*+1;-3",C5H14NO.BH2O3,,,,,,IIAYWPDIEYSHQG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.966,208-761-2,540-92-1,Sodium 2-hydroxypropane-2-sulphonate,sodium 2-hydroxypropane-2-sulfonate,[Na+].CC(C)(O)S(=O)(=O)[O-],[Na+].CC(C)(O)S(=O)(=O)[O-],"InChI=1/C3H8O4S.Na/c1-3(2,4)8(5,6)7;/h4H,1-2H3,(H,5,6,7);/q;+1/p-1",C3H8O4S.Na,,,,,,YNJORDSKPXMABC-UHFFFAOYSA-M,,,,,,,,,,,
100.007.968,208-763-3,541-01-5,Hexadecamethylheptasiloxane,hexadecamethylheptasiloxane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C16H48O6Si7/c1-23(2,3)17-25(7,8)19-27(11,12)21-29(15,16)22-28(13,14)20-26(9,10)18-24(4,5)6/h1-16H3",C16H48O6Si7,,,,,,NFVSFLUJRHRSJG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.890,209-777-2,592-90-5,Oxepane,oxepane,C1CCCOCC1,C1CCCOCC1,InChI=1/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2,C6H12O,,,,,,UHHKSVZZTYJVEG-UHFFFAOYSA-N,,,,,,,,,,,
100.011.764,212-940-0,885-04-1,Sodium 8-hydroxy-7-iodoquinoline-5-sulphonate,sodium 8-hydroxy-7-iodoquinoline-5-sulfonate,[Na+].Oc1c(I)cc(c2cccnc12)S(=O)(=O)[O-],[Na+].Oc1c(I)cc(c2cccnc12)S(=O)(=O)[O-],"InChI=1/C9H6INO4S.Na/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;/h1-4,12H,(H,13,14,15);/q;+1/p-1",C9H6INO4S.Na,,,,,,NWAPYWBKEFRREH-UHFFFAOYSA-M,,,,,,,,,,,
100.011.765,212-941-6,885-11-0,"2,3-dimethyl-4-nitroso-1-phenyl-3-pyrazolin-5-one","1,5-dimethyl-4-nitroso-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CN1N(C(=O)C(=C1C)N=O)c2ccccc2,CN1N(C(=O)C(=C1C)N=O)c2ccccc2,"InChI=1/C11H11N3O2/c1-8-10(12-16)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3",C11H11N3O2,,,,,,IEODZSWSXNQPQL-UHFFFAOYSA-N,,,,,,,,,,,
100.011.769,212-945-8,885-81-4,N-(4-ethoxy-2-nitrophenyl)acetamide,N-(4-ethoxy-2-nitrophenyl)acetamide,CCOc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],CCOc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],"InChI=1/C10H12N2O4/c1-3-16-8-4-5-9(11-7(2)13)10(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)",C10H12N2O4,,,,,,OWIVDQQSRJCDPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.011.777,212-954-7,886-74-8,3-(4-chlorophenoxy)-2-hydroxypropyl carbamate,3-(4-chlorophenoxy)-2-hydroxypropyl carbamate,NC(=O)OCC(O)COc1ccc(Cl)cc1,NC(=O)OCC(O)COc1ccc(Cl)cc1,"InChI=1/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)",C10H12ClNO4,,,,,,SKPLBLUECSEIFO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.635,213-898-6,1062-64-2,"(11ß,16a)-9-fluoro-11-hydroxy-17,21-[(1-methoxypentylidene)bis(oxy)]-16-methylpregna-1,4-diene-3,20-dione","9-fluoro-11-hydroxy-10'-methoxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-[1,5]dioxecane]-3,3'(6H)-dione",COC1CCCCOCC(=O)C2(O1)C(C)CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,COC1CCCCOCC(=O)C2(O1)C(C)CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,"InChI=1/C28H39FO6/c1-17-13-21-20-9-8-18-14-19(30)10-11-25(18,2)27(20,29)22(31)15-26(21,3)28(17)23(32)16-34-12-6-5-7-24(33-4)35-28/h10-11,14,17,20-22,24,31H,5-9,12-13,15-16H2,1-4H3",C28H39FO6,,,,,,ONSZSQMACVSEBO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.636,213-899-1,1062-96-0,Cholest-5-en-3ß-yl hexanoate,cholest-5-en-3-yl hexanoate,CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C33H56O2/c1-7-8-9-13-31(34)35-26-18-20-32(5)25(22-26)14-15-27-29-17-16-28(24(4)12-10-11-23(2)3)33(29,6)21-19-30(27)32/h14,23-24,26-30H,7-13,15-22H2,1-6H3",C33H56O2,,,,,,FPBODWXATDKICU-FLFWOSPYSA-N,,,,,,,,,,,
100.012.640,213-903-1,1064-48-8,"Sodium 4-amino-5-hydroxy-3-(4-nitrophenylazo)-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,"InChI=1/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C22H16N6O9S2.2Na,,,,,,AOMZHDJXSYHPKS-UHFFFAOYSA-L,,,,,,,,,,,
100.012.644,213-907-3,1066-17-7,Colistin,"N-{2-[8,11,14-tris(2-aminoethyl)-5-(1-hydroxyethyl)-17-isobutyl-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octaazacyclotetracosan-2-yl]ethyl}pentanamide",CCCCC(=O)NCCC1NC(=O)CNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(NC1=O)C(C)O,CCCCC(=O)NCCC1NC(=O)CNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(NC1=O)C(C)O,"InChI=1/C35H64N12O10/c1-5-6-7-26(49)39-15-11-24-34(56)47-29(20(4)48)35(57)45-23(10-14-38)32(54)43-21(8-12-36)31(53)44-22(9-13-37)33(55)46-25(16-19(2)3)30(52)41-17-27(50)40-18-28(51)42-24/h19-25,29,48H,5-18,36-38H2,1-4H3,(H,39,49)(H,40,50)(H,41,52)(H,42,51)(H,43,54)(H,44,53)(H,45,57)(H,46,55)(H,47,56)",-,,,,,,NNOSFIWTPPFULK-UHFFFAOYSA-N,,,,,,,,,,,
100.012.654,213-918-3,1066-50-8,Ethylphosphonic dichloride,ethylphosphonic dichloride,CCP(=O)(Cl)Cl,CCP(=O)(Cl)Cl,"InChI=1/C2H5Cl2OP/c1-2-6(3,4)5/h2H2,1H3",C2H5Cl2OP,,,,,,OWGJXSYVHQEVHS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.660,213-925-1,1067-14-7,Chlorotriethylplumbane,chloro(triethyl)plumbane,CC[Pb](Cl)(CC)CC,CC[Pb](Cl)(CC)CC,"InChI=1/3C2H5.ClH.Pb/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1/rC6H15ClPb/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3",C6H15ClPb,,,,,,UQWYUMLFPUILRT-UHFFFAOYSA-M,,,,,,,,,,,
100.012.663,213-928-8,1067-33-0,Dibutyltin di(acetate),dibutyltin di(acetate),CCCC[Sn+2]CCCC.CC(=O)[O-].CC(=O)[O-],CCCC[Sn+2]CCCC.CC(=O)[O-].CC(=O)[O-],"InChI=1/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2/rC8H18Sn.2C2H4O2/c1-3-5-7-9-8-6-4-2;2*1-2(3)4/h3-8H2,1-2H3;2*1H3,(H,3,4)/q+2;;/p-2",C12H24O4Sn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13153,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.663,JJLKTTCRRLHVGL-UHFFFAOYSA-L,,,,,,,,,,,
100.012.670,213-936-1,1067-57-8,Butyltrimethoxysilane,butyl(trimethoxy)silane,CCCC[Si](OC)(OC)OC,CCCC[Si](OC)(OC)OC,"InChI=1/C7H18O3Si/c1-5-6-7-11(8-2,9-3)10-4/h5-7H2,1-4H3",C7H18O3Si,,,,,,SXPLZNMUBFBFIA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.990,208-787-4,541-59-3,Maleimide,"1H-pyrrole-2,5-dione",O=C1NC(=O)C=C1,O=C1NC(=O)C=C1,"InChI=1/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)",C4H3NO2,,,,,,PEEHTFAAVSWFBL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.994,208-792-1,541-73-1,"1,3-dichlorobenzene","1,3-dichlorobenzene",Clc1cccc(Cl)c1,Clc1cccc(Cl)c1,InChI=1/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4Cl2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18076,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.994,ZPQOPVIELGIULI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.996,208-794-2,541-88-8,Chloroacetic anhydride,chloroacetic anhydride,ClCC(=O)OC(=O)CCl,ClCC(=O)OC(=O)CCl,InChI=1/C4H4Cl2O3/c5-1-3(7)9-4(8)2-6/h1-2H2,C4H4Cl2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12189,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.996,PNVPNXKRAUBJGW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.997,208-795-8,541-91-3,3-methylcyclopentadecan-1-one,3-methylcyclopentadecanone,CC1CCCCCCCCCCCCC(=O)C1,CC1CCCCCCCCCCCCC(=O)C1,"InChI=1/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3",C16H30O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18970,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.997,ALHUZKCOMYUFRB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.998,208-796-3,542-02-9,"6-methyl-1,3,5-triazine-2,4-diyldiamine","6-methyl-1,3,5-triazine-2,4-diamine",Cc1nc(N)nc(N)n1,Cc1nc(N)nc(N)n1,"InChI=1/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)",C4H7N5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11626,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.998,NJYZCEFQAIUHSD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.999,208-797-9,542-05-2,3-oxoglutaric acid,3-oxopentanedioic acid,OC(=O)CC(=O)CC(=O)O,OC(=O)CC(=O)CC(=O)O,"InChI=1/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)",C5H6O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10969,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.999,OXTNCQMOKLOUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.002,208-801-9,542-11-0,Anilinium bromide,anilinium bromide,[Br-].[NH3+]c1ccccc1,[Br-].[NH3+]c1ccccc1,"InChI=1/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H",C6H7N.BrH,,,,,,KBPWECBBZZNAIE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.003,208-802-4,542-14-3,Anilinium acetate,anilinium acetate,CC(=O)[O-].[NH3+]c1ccccc1,CC(=O)[O-].[NH3+]c1ccccc1,"InChI=1/C6H7N.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h1-5H,7H2;1H3,(H,3,4)",C6H7N.C2H4O2,,,,,,FHSWXOCOMAVQKE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.005,208-805-0,542-16-5,Dianilinium sulphate,bisanilinium sulfate,[NH3+]c1ccccc1.[NH3+]c2ccccc2.[O-]S(=O)(=O)[O-],[NH3+]c1ccccc1.[NH3+]c2ccccc2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,7H2;(H2,1,2,3,4)",C6H7N.1/2H2O4S,,,,,,FUKMEFZGEMVGLD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.009,208-809-2,542-32-5,2-aminoadipic acid,2-aminohexanedioic acid,NC(CCCC(=O)O)C(=O)O,NC(CCCC(=O)O)C(=O)O,"InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)",C6H11NO4,,,,,,OYIFNHCXNCRBQI-UHFFFAOYSA-N,Positive,ML000901,[M+H]+,HCD50,98.0602:116.0709:144.066,MetaboLights,,,,,
100.008.012,208-812-9,542-44-9,"2,3-dihydroxypropyl palmitate","2,3-dihydroxypropyl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,CCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",C19H38O4,,,,,,QHZLMUACJMDIAE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.014,208-815-5,542-50-7,Heptacosan-14-one,heptacosan-14-one,CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC,"InChI=1/C27H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C27H54O,,,,,,VCZMOZVQLARCOE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.020,208-821-8,542-59-6,2-hydroxyethyl acetate,2-hydroxyethyl acetate,CC(=O)OCCO,CC(=O)OCCO,"InChI=1/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3",C4H8O3,,,,,,HXDLWJWIAHWIKI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.951,209-844-6,594-51-4,"2,3-dibromo-2-methylbutane","2,3-dibromo-2-methylbutane",CC(Br)C(C)(C)Br,CC(Br)C(C)(C)Br,"InChI=1/C5H10Br2/c1-4(6)5(2,3)7/h4H,1-3H3",C5H10Br2,,,,,,XLTWAJQKAGLQDX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.952,209-845-1,594-56-9,"2,3,3-trimethylbut-1-ene","2,3,3-trimethylbut-1-ene",CC(=C)C(C)(C)C,CC(=C)C(C)(C)C,"InChI=1/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3",C7H14,,,,,,AUYRUAVCWOAHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.958,209-851-4,594-70-7,Nitro-tert-butane,2-methyl-2-nitropropane,CC(C)(C)[N+]([O-])=O,CC(C)(C)[N+]([O-])=O,"InChI=1/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3",C4H9NO2,,,,,,AIMREYQYBFBEGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.964,209-858-2,595-18-6,"14-a,17-a,21-trihydroxypregn-4-ene-3,20-dione","14,17,21-trihydroxypregn-4-ene-3,20-dione",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@@]3(O)CC[C@]4(O)C(=O)CO,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@@]3(O)CC[C@]4(O)C(=O)CO,"InChI=1/C21H30O5/c1-18-7-5-14(23)11-13(18)3-4-16-15(18)6-8-19(2)20(16,25)9-10-21(19,26)17(24)12-22/h11,15-16,22,25-26H,3-10,12H2,1-2H3",C21H30O5,,,,,,NBOPGWCQYLBUPH-FHBGEGHHSA-N,,,,,,,,,,,
100.008.968,209-862-4,595-31-3,"(1S)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione","1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione",CC1(C)C2CC[C@]1(C)C(=O)OC2=O,CC1(C)C2CC[C@]1(C)C(=O)OC2=O,"InChI=1/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3",C10H14O3,,,,,,VFZDNKRDYPTSTP-PHUNFMHTSA-N,,,,,,,,,,,
100.027.673,230-440-0,7141-19-7,Tris[(tributylstannyl)oxy]borane,"5,5,9,9-tetrabutyl-7-[(tributylstannyl)oxy]-6,8-dioxa-5,9-distanna-7-boratridecane",CCCC[Sn](CCCC)(CCCC)OB(O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OB(O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/9C4H9.BO3.3Sn/c9*1-3-4-2;2-1(3)4;;;/h9*1,3-4H2,2H3;;;;/q;;;;;;;;;-3;3*+1/rC36H81BO3Sn3/c1-10-19-28-41(29-20-11-2,30-21-12-3)38-37(39-42(31-22-13-4,32-23-14-5)33-24-15-6)40-43(34-25-16-7,35-26-17-8)36-27-18-9/h10-36H2,1-9H3",C36H81BO3Sn3,,,,,,MIBOUHLEDOATFN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.677,230-444-2,7143-69-3,Linalyl phenylacetate,"1,5-dimethyl-1-vinylhex-4-en-1-yl phenylacetate",CC(=CCCC(C)(OC(=O)Cc1ccccc1)C=C)C,CC(=CCCC(C)(OC(=O)Cc1ccccc1)C=C)C,"InChI=1/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3",C18H24O2,,,,,,RROUXOOIXJRTOM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.678,230-445-8,7143-76-2,Cyclopropyl p-tolyl ketone,cyclopropyl(4-methylphenyl)methanone,Cc1ccc(cc1)C(=O)C2CC2,Cc1ccc(cc1)C(=O)C2CC2,"InChI=1/C11H12O/c1-8-2-4-9(5-3-8)11(12)10-6-7-10/h2-5,10H,6-7H2,1H3",C11H12O,,,,,,TUZLFHYUOUBZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.682,230-450-5,7144-37-8,Copper bis(4-toluenesulphonate),copper(2+) bis(4-methylbenzenesulfonate),[Cu+2].O=S([O-])(=O)c1ccc(C)cc1.[O-]S(=O)(=O)c1ccc(C)cc1,[Cu+2].O=S([O-])(=O)c1ccc(C)cc1.[O-]S(=O)(=O)c1ccc(C)cc1,"InChI=1/2C7H8O3S.Cu/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",C7H8O3S.1/2Cu,,,,,,MRYMYQPDGZIGDM-UHFFFAOYSA-L,,,,,,,,,,,
100.027.684,230-452-6,7145-20-2,"2,3-dimethylhex-2-ene","2,3-dimethylhex-2-ene",CCCC(=C(C)C)C,CCCC(=C(C)C)C,"InChI=1/C8H16/c1-5-6-8(4)7(2)3/h5-6H2,1-4H3",C8H16,,,,,,RGYAVZGBAJFMIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.439,226-882-9,9/03/5533,2-methoxy-4-(methoxymethyl)phenol,2-methoxy-4-(methoxymethyl)phenol,COCc1ccc(O)c(OC)c1,COCc1ccc(O)c(OC)c1,"InChI=1/C9H12O3/c1-11-6-7-3-4-8(10)9(5-7)12-2/h3-5,10H,6H2,1-2H3",C9H12O3,,,,,,USDDPDQEVLAOBO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.442,226-886-0,8/09/5534,"9-chloro-11ß-hydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate","9-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate",CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,"InChI=1/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3",C28H37ClO7,,,,,,KUVIULQEHSCUHY-XYWKZLDCSA-N,,,,,,,,,,,
100.024.443,226-887-6,5534-13-4,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-propionate","9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate",CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3",C25H33FO6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12098,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.443,ITYMTTQVNYAJAA-XGQKBEPLSA-N,,,,,,,,,,,
100.024.445,226-889-7,5534-95-2,Pentagastrin,N-(tert-butoxycarbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide,CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N,CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N,"InChI=1/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)",C37H49N7O9S,,,,,,NEYNJQRKHLUJRU-DZUOILHNSA-N,,,,,,,,,,,
100.024.451,226-896-5,5536-61-8,Sodium methacrylate,sodium methacrylate,[Na+].CC(=C)C(=O)[O-],[Na+].CC(=C)C(=O)[O-],"InChI=1/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",C4H6O2.Na,,,,,,SONHXMAHPHADTF-UHFFFAOYSA-M,,,,,,,,,,,
100.024.465,226-911-5,5545-17-5,"N,N'-diacetyl-L-cystine","N,N'-diacetyl-L-cystine",CC(=O)N[C@@H](CSSC[C@H](NC(=O)C)C(=O)O)C(=O)O,CC(=O)N[C@@H](CSSC[C@H](NC(=O)C)C(=O)O)C(=O)O,"InChI=1/C10H16N2O6S2/c1-5(13)11-7(9(15)16)3-19-20-4-8(10(17)18)12-6(2)14/h7-8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)(H,17,18)",C10H16N2O6S2,,,,,,YTPQSLLEROSACP-YUMQZZPRSA-N,,,,,,,,,,,
100.024.467,226-913-6,7/09/5549,"1,2,3,3a,4,6a-hexahydropentalene","1,2,3,3a,4,6a-hexahydropentalene",C1CC2CC=CC2C1,C1CC2CC=CC2C1,"InChI=1/C8H12/c1-3-7-5-2-6-8(7)4-1/h1,3,7-8H,2,4-6H2",C8H12,,,,,,KEHFJHPSOFFXBO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.468,226-914-1,9/12/5550,Guanosine 5'-(disodium phosphate),"disodium 2-amino-9-(5-O-phosphonatopentofuranosyl)-1,9-dihydro-6H-purin-6-one",NC1=Nc2c(ncn2C3OC(COP(=O)(O[Na])O[Na])C(O)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(COP(=O)(O[Na])O[Na])C(O)C3O)C(=O)N1,"InChI=1/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/rC10H12N5Na2O8P/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(19)5(18)3(23-9)1-22-26(21,24-16)25-17/h2-3,5-6,9,18-19H,1H2,(H3,11,13,14,20)",C10H14N5O8P.2Na,,,,,,PVBRXXAAPNGWGE-UHFFFAOYSA-L,,,,,,,,,,,
100.008.893,209-780-9,592-99-4,Oct-4-ene,oct-4-ene,CCCC=CCCC,CCCC=CCCC,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3",C8H16,,,,,,IRUCBBFNLDIMIK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.894,209-781-4,593-03-3,Hexadecan-3-ol,hexadecan-3-ol,CCCCCCCCCCCCCC(O)CC,CCCCCCCCCCCCCC(O)CC,"InChI=1/C16H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h16-17H,3-15H2,1-2H3",C16H34O,,,,,,ACDUHTSVVVHMGU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.903,209-791-9,593-47-5,9-octadecenol,octadec-9-en-1-ol,CCCCCCCCC=CCCCCCCCCO,CCCCCCCCC=CCCCCCCCCO,"InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3",C18H36O,,,,,,ALSTYHKOOCGGFT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.904,209-792-4,593-49-7,Heptacosane,heptacosane,CCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",C27H56,,,,,,BJQWYEJQWHSSCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.907,209-796-6,593-53-3,Fluoromethane,fluoromethane,CF,CF,InChI=1/CH3F/c1-2/h1H3,CH3F,,,,,,NBVXSUQYWXRMNV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.912,209-801-1,593-66-8,Iodoethylene,iodoethene,IC=C,IC=C,"InChI=1/C2H3I/c1-2-3/h2H,1H2",C2H3I,,,,,,GHXZPUGJZVBLGC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.915,209-804-8,593-71-5,Chloroiodomethane,chloro(iodo)methane,ClCI,ClCI,InChI=1/CH2ClI/c2-1-3/h1H2,CH2ClI,,,,,,PJGJQVRXEUVAFT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.920,209-810-0,593-81-7,Trimethylammonium chloride,"N,N-dimethylmethanaminium chloride",[Cl-].C[NH+](C)C,[Cl-].C[NH+](C)C,InChI=1/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H,C3H9N.ClH,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14311,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.920,SZYJELPVAFJOGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.924,209-814-2,593-87-3,Guanidinium acetate,amino(imino)methanaminium acetate,CC(=O)[O-].NC(=N)[NH3+],CC(=O)[O-].NC(=N)[NH3+],"InChI=1/C2H4O2.CH5N3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);(H5,2,3,4)",C2H4O2.CH5N3,,,,,,DXTIKTAIYCJTII-UHFFFAOYSA-N,,,,,,,,,,,
100.008.926,209-816-3,593-90-8,Trimethylborane,trimethylborane,CB(C)C,CB(C)C,InChI=1/C3H9B/c1-4(2)3/h1-3H3,C3H9B,,,,,,WXRGABKACDFXMG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.936,209-827-3,594-15-0,Tribromochloromethane,tribromo(chloro)methane,ClC(Br)(Br)Br,ClC(Br)(Br)Br,"InChI=1/CBr3Cl/c2-1(3,4)5",CBr3Cl,,,,,,GKXZMEXQUWZGJK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.937,209-828-9,594-16-1,"2,2-dibromopropane","2,2-dibromopropane",CC(C)(Br)Br,CC(C)(Br)Br,"InChI=1/C3H6Br2/c1-3(2,4)5/h1-2H3",C3H6Br2,,,,,,ARITXYXYCOZKMU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.939,209-831-5,594-19-4,tert-butyllithium,tert-butyllithium,[Li]C(C)(C)C,[Li]C(C)(C)C,"InChI=1/C4H9.Li/c1-4(2)3;/h1-3H3;/rC4H9Li/c1-4(2,3)5/h1-3H3",C4H9Li,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18590,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.939,BKDLGMUIXWPYGD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.942,209-834-1,594-31-0,Dichlorotriphenylantimony,dichloro(triphenyl)stiborane,Cl[Sb](Cl)(c1ccccc1)(c2ccccc2)c3ccccc3,Cl[Sb](Cl)(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.2ClH.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q;;;;;+2/p-2/rC18H15Cl2Sb/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15Cl2Sb,,,,,,PDGPVQHGCLPCES-UHFFFAOYSA-L,,,,,,,,,,,
100.006.264,206-889-3,393-75-9,"4-chloro-3,5-dinitro-a,a,a-trifluorotoluene","2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene",[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,"InChI=1/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H",C7H2ClF3N2O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6108,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.264,HFHAVERNVFNSHL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.271,206-897-7,394-47-8,2-fluorobenzonitrile,2-fluorobenzonitrile,Fc1ccccc1C#N,Fc1ccccc1C#N,InChI=1/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,C7H4FN,,,,,,GDHXJNRAJRCGMX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.272,206-898-2,395-28-8,Isoxsuprine,4-{1-hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl}phenol,CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2,CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2,"InChI=1/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3",C18H23NO3,,,,,,BMUKKTUHUDJSNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.273,206-899-8,395-33-5,4-fluoromandelic acid,(4-fluorophenyl)(hydroxy)acetic acid,OC(C(=O)O)c1ccc(F)cc1,OC(C(=O)O)c1ccc(F)cc1,"InChI=1/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)",C8H7FO3,,,,,,RWCMOQXHIDWDDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.274,206-900-1,395-35-7,4-(trifluoromethyl)phenylglycolic acid,hydroxy[4-(trifluoromethyl)phenyl]acetic acid,OC(C(=O)O)c1ccc(cc1)C(F)(F)F,OC(C(=O)O)c1ccc(cc1)C(F)(F)F,"InChI=1/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)",C9H7F3O3,,,,,,SDGXYUQKJPFLDG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.275,206-901-7,395-44-8,1-(bromomethyl)-2-(trifluoromethyl)benzene,1-(bromomethyl)-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1CBr,FC(F)(F)c1ccccc1CBr,"InChI=1/C8H6BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2",C8H6BrF3,,,,,,TXVVVEUSVBLDED-UHFFFAOYSA-N,,,,,,,,,,,
100.012.671,213-937-7,1067-66-9,"Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate",methyl N-(2-{[3-(trimethoxysilyl)propyl]amino}ethyl)-beta-alaninate,COC(=O)CCNCCNCCC[Si](OC)(OC)OC,COC(=O)CCNCCNCCC[Si](OC)(OC)OC,"InChI=1/C12H28N2O5Si/c1-16-12(15)6-8-14-10-9-13-7-5-11-20(17-2,18-3)19-4/h13-14H,5-11H2,1-4H3",C12H28N2O5Si,,,,,,IKUCSZCOPRPNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.673,213-939-8,1067-97-6,Tributyltin hydroxide,tributylstannanylium hydroxide,[OH-].CCCC[Sn+](CCCC)CCCC,[OH-].CCCC[Sn+](CCCC)CCCC,"InChI=1/3C4H9.H2O.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H2;/q;;;;+1/p-1/rC12H27Sn.H2O/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H2/q+1;/p-1",C12H28OSn,,,,,,GMVHICBNQJYKSP-UHFFFAOYSA-M,,,,,,,,,,,
100.012.676,213-942-4,1068-22-0,"Ammonium O,O-diethyl dithiophosphate","ammonium O,O-diethyl dithiophosphate",[NH4+].CCOP(=S)([S-])OCC,[NH4+].CCOP(=S)([S-])OCC,"InChI=1/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3",C4H11O2PS2.H3N,,,,,,HFRHTRKMBOQLLL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.677,213-944-5,1068-27-5,"Di-tert-butyl 1,1,4,4-tetramethylbut-2-yn-1,4-ylene diperoxide","2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-yne",CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C,CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C,"InChI=1/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3",C16H30O4,,,,,,ODBCKCWTWALFKM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.469,213-716-5,1003-78-7,"Tetrahydro-2,4-dimethylthiophene 1,1-dioxide","2,4-dimethyltetrahydrothiophene 1,1-dioxide",CC1CC(C)S(=O)(=O)C1,CC1CC(C)S(=O)(=O)C1,"InChI=1/C6H12O2S/c1-5-3-6(2)9(7,8)4-5/h5-6H,3-4H2,1-2H3",C6H12O2S,,,,,,WKFQMDFSDQFAIC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.480,213-728-0,1004-77-9,2-isopropylcyclohexan-1-one,2-isopropylcyclohexanone,CC(C)C1CCCCC1=O,CC(C)C1CCCCC1=O,"InChI=1/C9H16O/c1-7(2)8-5-3-4-6-9(8)10/h7-8H,3-6H2,1-2H3",C9H16O,,,,,,SDJUYPUXVFDUFF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.481,213-729-6,1004-84-8,"cis-1,2-divinylcyclohexane","1,2-divinylcyclohexane",C=C[C@H]1CCCC[C@H]1C=C,C=C[C@H]1CCCC[C@H]1C=C,"InChI=1/C10H16/c1-3-9-7-5-6-8-10(9)4-2/h3-4,9-10H,1-2,5-8H2",C10H16,,,,,,ARKHCBWJALMQJO-AOOOYVTPSA-N,,,,,,,,,,,
100.012.484,213-732-2,1005-23-8,Cyclohexylphosphonic acid,cyclohexylphosphonic acid,OP(=O)(O)C1CCCCC1,OP(=O)(O)C1CCCCC1,"InChI=1/C6H13O3P/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8,9)",C6H13O3P,,,,,,FBSFTJQYCLLGKH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.491,213-740-6,1005-93-2,"4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide","4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide",CCC12COP(=O)(OC1)OC2,CCC12COP(=O)(OC1)OC2,"InChI=1/C6H11O4P/c1-2-6-3-8-11(7,9-4-6)10-5-6/h2-5H2,1H3",C6H11O4P,,,,,,BYEFHDZWRALTEN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.493,213-742-7,1006-23-1,"5-nitro-2,4,6-triaminopyrimidine","5-nitropyrimidine-2,4,6-triamine",Nc1nc(N)c(c(N)n1)[N+](=O)[O-],Nc1nc(N)c(c(N)n1)[N+](=O)[O-],"InChI=1/C4H6N6O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)",C4H6N6O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16628,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.493,IFMCROIMZMUGRF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.375,214-712-6,1189-09-9,"Methyl (E)-3,7-dimethylocta-2,6-dienoate","methyl 3,7-dimethylocta-2,6-dienoate",COC(=O)\\C=C(/C)\\CCC=C(C)C,COC(=O)\C=C(/C)\CCC=C(C)C,"InChI=1/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3",C11H18O2,,,,,,ACOBBFVLNKYODD-CSKARUKUSA-N,,,,,,,,,,,
100.013.388,214-726-2,1190-94-9,Erythro-5-hydroxy-L-lysine,5-hydroxy-L-lysine,NC[C@@H](O)CC[C@H](N)C(=O)O,NC[C@@H](O)CC[C@H](N)C(=O)O,"InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)",C6H14N2O3,,,,,,YSMODUONRAFBET-WHFBIAKZSA-N,,,,,,,,,,,
100.013.389,214-727-8,1191-04-4,Hex-2-enoic acid,hex-2-enoic acid,CCCC=CC(O)=O,CCCC=CC(O)=O,"InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)",C6H10O2,,,,,,NIONDZDPPYHYKY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.391,214-729-9,1191-15-7,Diisobutylaluminium hydride,diisobutylaluminum(1+),CC(C)C[Al]CC(C)C,CC(C)C[Al]CC(C)C,"InChI=1/2C4H9.Al/c2*1-4(2)3;/h2*4H,1H2,2-3H3;/q;;+1/rC8H18Al/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3/q+1",C8H19Al,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13341,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.391,SIPUZPBQZHNSDW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.061,211-066-7,629-01-6,Octanamide,octanamide,CCCCCCCC(=O)N,CCCCCCCC(=O)N,"InChI=1/C8H17NO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H2,9,10)",C8H17NO,,,,,,LTHCSWBWNVGEFE-UHFFFAOYSA-N,,,,,,,,,,,
100.010.071,211-077-7,629-15-2,Ethylene diformate,"ethane-1,2-diyl diformate",O=COCCOC=O,O=COCCOC=O,"InChI=1/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2",C4H6O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11886,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.071,IKCQWKJZLSDDSS-UHFFFAOYSA-N,,,,,,,,,,,
100.010.072,211-078-2,629-17-4,Ethylene dithiocyanate,"ethane-1,2-diyl bis(thiocyanate)",N#CSCCSC#N,N#CSCCSC#N,InChI=1/C4H4N2S2/c5-3-7-1-2-8-4-6/h1-2H2,C4H4N2S2,,,,,,LILPOSVDSDEBCD-UHFFFAOYSA-N,,,,,,,,,,,
100.010.075,211-081-9,629-23-2,Tetradecan-3-one,tetradecan-3-one,CCCCCCCCCCCC(=O)CC,CCCCCCCCCCCC(=O)CC,"InChI=1/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3",C14H28O,,,,,,OCHYRSKMMMYUMI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.081,211-088-7,629-36-7,Bis(3-chloropropyl) ether,1-chloro-3-(3-chloropropoxy)propane,ClCCCOCCCCl,ClCCCOCCCCl,InChI=1/C6H12Cl2O/c7-3-1-5-9-6-2-4-8/h1-6H2,C6H12Cl2O,,,,,,SMANNJALMIGASX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.983,209-879-7,596-16-7,Morphine nitrate,"17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol nitrate (salt)",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.O[N+](=O)[O-],CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.O[N+](=O)[O-],"InChI=1/C17H19NO3.HNO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;2-1(3)4/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H,2,3,4)",C17H19NO3.HNO3,,,,,,VHBDDUMTLJSZDR-VYKNHSEDSA-N,,,,,,,,,,,
100.008.990,209-887-0,596-51-0,Glycopyrronium bromide,"3-[2-cyclopentyl(hydroxy)phenylacetoxy]-1,1-dimethylpyrrolidinium bromide",[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3,[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3,"InChI=1/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1",C19H28NO3.Br,,,,,,VPNYRYCIDCJBOM-UHFFFAOYSA-M,,,,,,,,,,,
100.008.991,209-888-6,596-59-8,"(14a)-7,8-didehydro-4-hydroxy-3-methoxy-17-methylmorphinan-6-one","4-hydroxy-3-methoxy-17-methyl-7,8-didehydromorphinan-6-one",COc1ccc2C[C@@H]3[C@H]4C=CC(=O)C[C@]4(CCN3C)c2c1O,COc1ccc2C[C@@H]3[C@H]4C=CC(=O)C[C@]4(CCN3C)c2c1O,"InChI=1/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3",C18H21NO3,,,,,,SLJDAVMWFVYEFI-LBTNJELSSA-N,,,,,,,,,,,
100.008.996,209-893-3,597-09-1,"2-ethyl-2-nitropropane-1,3-diol","2-ethyl-2-nitropropane-1,3-diol",CCC(CO)(CO)[N+](=O)[O-],CCC(CO)(CO)[N+](=O)[O-],"InChI=1/C5H11NO4/c1-2-5(3-7,4-8)6(9)10/h7-8H,2-4H2,1H3",C5H11NO4,,,,,,YADISKICBOYXFS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.311,206-941-5,402-36-8,3-isocyanatobenzenesulphonyl fluoride,3-isocyanatobenzenesulfonyl fluoride,FS(=O)(=O)c1cccc(c1)N=C=O,FS(=O)(=O)c1cccc(c1)N=C=O,"InChI=1/C7H4FNO3S/c8-13(11,12)7-3-1-2-6(4-7)9-5-10/h1-4H",C7H4FNO3S,,,,,,MXNBVYUXLFKJKX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.314,206-944-1,402-44-8,"a,a,a,4-tetrafluorotoluene",1-fluoro-4-(trifluoromethyl)benzene,Fc1ccc(cc1)C(F)(F)F,Fc1ccc(cc1)C(F)(F)F,"InChI=1/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",C7H4F4,,,,,,UNNNAIWPDLRVRN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.316,206-946-2,402-46-0,p-fluorobenzenesulphonamide,4-fluorobenzenesulfonamide,NS(=O)(=O)c1ccc(F)cc1,NS(=O)(=O)c1ccc(F)cc1,"InChI=1/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",C6H6FNO2S,,,,,,LFLSATHZMYYIAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.325,206-956-7,403-33-8,Methyl 4-fluorobenzoate,methyl 4-fluorobenzoate,COC(=O)c1ccc(F)cc1,COC(=O)c1ccc(F)cc1,"InChI=1/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3",C8H7FO2,,,,,,MSEBQGULDWDIRW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.330,206-961-4,403-43-0,4-fluorobenzoyl chloride,4-fluorobenzoyl chloride,Fc1ccc(cc1)C(=O)Cl,Fc1ccc(cc1)C(=O)Cl,InChI=1/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H,C7H4ClFO,,,,,,CZKLEJHVLCMVQR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.335,206-967-7,404-72-8,3-fluorophenyl isothiocyanate,1-fluoro-3-isothiocyanatobenzene,Fc1cccc(c1)N=C=S,Fc1cccc(c1)N=C=S,InChI=1/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H,C7H4FNS,,,,,,HDBACITVPQEAGG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.338,206-970-3,405-22-1,Nidroxyzone,5-nitro-2-furaldehyde N'-(2-hydroxyethyl)semicarbazone,O=[N+]([O-])c1ccc(C=NN(CCO)C(N)=O)o1,O=[N+]([O-])c1ccc(C=NN(CCO)C(N)=O)o1,"InChI=1/C8H10N4O5/c9-8(14)11(3-4-13)10-5-6-1-2-7(17-6)12(15)16/h1-2,5,13H,3-4H2,(H2,9,14)",C8H10N4O5,,,,,,FJVAAURIDNIYAE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.344,206-977-1,406-90-6,Fluroxene,"(2,2,2-trifluoroethoxy)ethene",FC(F)(F)COC=C,FC(F)(F)COC=C,"InChI=1/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2",C4H5F3O,,,,,,DLEGDLSLRSOURQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.346,206-979-2,407-14-7,1-bromo-4-(trifluoromethoxy)benzene,1-bromo-4-(trifluoromethoxy)benzene,FC(F)(F)Oc1ccc(Br)cc1,FC(F)(F)Oc1ccc(Br)cc1,"InChI=1/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H",C7H4BrF3O,,,,,,SEAOBYFQWJFORM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.350,206-983-4,407-33-0,Fluoroacetic anhydride,fluoroacetic anhydride,FCC(=O)OC(=O)CF,FCC(=O)OC(=O)CF,InChI=1/C4H4F2O3/c5-1-3(7)9-4(8)2-6/h1-2H2,C4H4F2O3,,,,,,KLLYGDXCCNXESW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.354,206-988-1,408-35-5,Sodium palmitate,sodium palmitate,[Na+].CCCCCCCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1",C16H32O2.Na,,,,,,GGXKEBACDBNFAF-UHFFFAOYSA-M,,,,,,,,,,,
100.006.357,206-991-8,409-21-2,Silicon carbide,methylsilane,C[Si],C[Si],InChI=1/CH3Si/c1-2/h1H3,CSi,Full,Joint,100000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15540,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.357,NCWQJOGVLLNWEO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.361,206-996-5,420-46-2,"1,1,1-trifluoroethane","1,1,1-trifluoroethane",CC(F)(F)F,CC(F)(F)F,"InChI=1/C2H3F3/c1-2(3,4)5/h1H3",C2H3F3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15086,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.361,UJPMYEOUBPIPHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.734,210-706-2,621-78-3,Tripentyl borate,tripentyl borate,CCCCCOB(OCCCCC)OCCCCC,CCCCCOB(OCCCCC)OCCCCC,"InChI=1/C15H33BO3/c1-4-7-10-13-17-16(18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3",C15H33BO3,,,,,,JLPJTCGUKOBWRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.736,210-708-3,621-82-9,Cinnamic acid,3-phenylacrylic acid,OC(=O)\\C=C\\c1ccccc1,OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",C9H8O2,,,,,,WBYWAXJHAXSJNI-VOTSOKGWSA-N,,,,,,,,,,,
100.024.469,226-915-7,1/11/5551,4-chloro-2-nitrobenzaldehyde,4-chloro-2-nitrobenzaldehyde,[O-][N+](=O)c1cc(Cl)ccc1C=O,[O-][N+](=O)c1cc(Cl)ccc1C=O,InChI=1/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H,C7H4ClNO3,,,,,,MZPNQUMLOFWSEK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.471,226-917-8,5555-22-6,N-benzyl-DL-aspartic acid,N-benzyl-L-aspartic acid,OC(=O)C[C@H](NCc1ccccc1)C(O)=O,OC(=O)C[C@H](NCc1ccccc1)C(O)=O,"InChI=1/C11H13NO4/c13-10(14)6-9(11(15)16)12-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)",C11H13NO4,,,,,,RKSKSWSMXZYPFW-VIFPVBQESA-N,,,,,,,,,,,
100.024.472,226-918-3,5556-86-5,"2,3,6-trimethoxybenzaldehyde","2,3,6-trimethoxybenzaldehyde",COc1ccc(OC)c(C=O)c1OC,COc1ccc(OC)c(C=O)c1OC,"InChI=1/C10H12O4/c1-12-8-4-5-9(13-2)10(14-3)7(8)6-11/h4-6H,1-3H3",C10H12O4,,,,,,APHLYZNGFCQHCT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.474,226-920-4,5557-83-5,Benzyl L-alaninate hydrochloride,benzyl L-alaninate hydrochloride,Cl.C[C@H](N)C(=O)OCc1ccccc1,Cl.C[C@H](N)C(=O)OCc1ccccc1,"InChI=1/C10H13NO2.ClH/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;/h2-6,8H,7,11H2,1H3;1H",C10H13NO2.ClH,,,,,,RLMHWGDKMJIEHH-QRPNPIFTSA-N,,,,,,,,,,,
100.024.476,226-923-0,3/04/5558,a-cyclopropyl-a-methylbenzyl alcohol,1-cyclopropyl-1-phenylethanol,CC(O)(C1CC1)c2ccccc2,CC(O)(C1CC1)c2ccccc2,"InChI=1/C11H14O/c1-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3",C11H14O,,,,,,ODESSVLMCLJHHD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.479,226-926-7,5558-68-9,"2,2-diphenylbutyronitrile","2,2-diphenylbutanenitrile",CCC(C#N)(c1ccccc1)c2ccccc2,CCC(C#N)(c1ccccc1)c2ccccc2,"InChI=1/C16H15N/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3",C16H15N,,,,,,NQCFFHSZJWFYEU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.485,226-933-5,5560-72-5,Iprindole,"3-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-5-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCn1c2CCCCCCc2c3ccccc13,CN(C)CCCn1c2CCCCCCc2c3ccccc13,"InChI=1/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3",C19H28N2,,,,,,PLIGPBGDXASWPX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.077,230-885-0,7356-00-5,"N-(2-aminopropyl)propane-1,2-diamine","N~1~-(2-aminopropyl)propane-1,2-diamine",CC(N)CNCC(C)N,CC(N)CNCC(C)N,"InChI=1/C6H17N3/c1-5(7)3-9-4-6(2)8/h5-6,9H,3-4,7-8H2,1-2H3",C6H17N3,,,,,,WIFVBBXWAWZSJA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.082,230-890-8,7357-93-9,2-ethyl-3-methylbut-1-ene,2-methyl-3-methylenepentane,CCC(=C)C(C)C,CCC(=C)C(C)C,"InChI=1/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3",C7H14,,,,,,ADHCYQWFCLQBFG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.083,230-891-3,7357-94-0,"1,4,7-trioxacycloundecane-8,11-dione","1,4,7-trioxacycloundecane-8,11-dione",O=C1CCC(=O)OCCOCCO1,O=C1CCC(=O)OCCOCCO1,InChI=1/C8H12O5/c9-7-1-2-8(10)13-6-4-11-3-5-12-7/h1-6H2,C8H12O5,,,,,,QKQPBZPCABVALD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.087,230-896-0,7360-38-5,"Propane-1,2,3-triyl 2-ethylhexanoate","propane-1,2,3-triyl tris(2-ethylhexanoate)",CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1/C27H50O6/c1-7-13-16-21(10-4)25(28)31-19-24(33-27(30)23(12-6)18-15-9-3)20-32-26(29)22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3",C27H50O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5763,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.087,DGSZGZSCHSQXFV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.093,230-902-1,7361-61-7,Xylazine,"N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine",Cc1cccc(C)c1NC2=NCCCS2,Cc1cccc(C)c1NC2=NCCCS2,"InChI=1/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)",C12H16N2S,,,,,,BPICBUSOMSTKRF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.097,230-906-3,7365-44-8,2-(tris(hydroxymethyl)methylamino)ethane-1-sulphonic acid,"2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}ethanesulfonic acid",OCC(CO)(CO)NCCS(=O)(=O)O,OCC(CO)(CO)NCCS(=O)(=O)O,"InChI=1/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)",C6H15NO6S,,,,,,JOCBASBOOFNAJA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.099,230-908-4,7365-82-4,N-(carbamoylmethyl)taurine,2-[(2-amino-2-oxoethyl)amino]ethanesulfonic acid,NC(=O)CNCCS(=O)(=O)O,NC(=O)CNCCS(=O)(=O)O,"InChI=1/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)",C4H10N2O4S,,,,,,DBXNUXBLKRLWFA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.101,230-911-0,7367-78-4,"Butyl (E,E)-hexa-2,4-dienoate","butyl hexa-2,4-dienoate",CCCCOC(=O)\\C=C\\C=C\\C,CCCCOC(=O)\C=C\C=C\C,"InChI=1/C10H16O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3,5,7-8H,4,6,9H2,1-2H3",C10H16O2,,,,,,SCVZKPKDMFXESQ-VSAQMIDASA-N,,,,,,,,,,,
100.028.102,230-912-6,7367-81-9,Methyl (E)-oct-2-enoate,methyl oct-2-enoate,CCCCC\\C=C\\C(=O)OC,CCCCC\C=C\C(=O)OC,"InChI=1/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3",C9H16O2,,,,,,CJBQSBZJDJHMLF-BQYQJAHWSA-N,,,,,,,,,,,
100.028.120,230-932-5,7373-26-4,"Toluene-2,4,6-triyl triisocyanate","1,3,5-triisocyanato-2-methylbenzene",Cc1c(cc(cc1N=C=O)N=C=O)N=C=O,Cc1c(cc(cc1N=C=O)N=C=O)N=C=O,"InChI=1/C10H5N3O3/c1-7-9(12-5-15)2-8(11-4-14)3-10(7)13-6-16/h2-3H,1H3",C10H5N3O3,,,,,,PFUKECZPRROVOD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.083,226-491-3,5411-56-3,2-bromo-a-methylbenzyl alcohol,1-(2-bromophenyl)ethanol,CC(O)c1ccccc1Br,CC(O)c1ccccc1Br,"InChI=1/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3",C8H9BrO,,,,,,DZLZSFZSPIUINR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.276,206-902-2,395-45-9,o-(trifluoromethyl)styrene,1-(trifluoromethyl)-2-vinylbenzene,FC(F)(F)c1ccccc1C=C,FC(F)(F)c1ccccc1C=C,"InChI=1/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2",C9H7F3,,,,,,VGWWQZSCLBZOGK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.281,206-908-5,397-62-6,4-[(3-fluorophenyl)methylene]-2-phenyloxazol-5(4H)-one,"4-(3-fluorobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one",O=C2O\\C(=N/C2=Cc1cc(F)ccc1)c3ccccc3,O=C2O\C(=N/C2=Cc1cc(F)ccc1)c3ccccc3,InChI=1/C16H10FNO2/c17-13-8-4-5-11(9-13)10-14-16(19)20-15(18-14)12-6-2-1-3-7-12/h1-10H,C16H10FNO2,,,,,,LEYZNNGXVVKDGN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.284,206-911-1,398-24-3,"4-fluoro-4'-nitro-1,1'-biphenyl",4-fluoro-4'-nitrobiphenyl,[O-][N+](=O)c1ccc(cc1)c2ccc(F)cc2,[O-][N+](=O)c1ccc(cc1)c2ccc(F)cc2,InChI=1/C12H8FNO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H,C12H8FNO2,,,,,,GMPGAPATPBXNSX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.287,206-914-8,398-99-2,2-methyl-5-(trifluoromethyl)benzothiazole,"2-methyl-5-(trifluoromethyl)-1,3-benzothiazole",Cc1nc2cc(ccc2s1)C(F)(F)F,Cc1nc2cc(ccc2s1)C(F)(F)F,"InChI=1/C9H6F3NS/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h2-4H,1H3",C9H6F3NS,,,,,,XXIOZBPOLWETSU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.288,206-915-3,399-25-7,o-fluoro-ß-nitrostyrene,1-fluoro-2-(2-nitrovinyl)benzene,[O-][N+](=O)\\C=C\\c1ccccc1F,[O-][N+](=O)\C=C\c1ccccc1F,InChI=1/C8H6FNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H,C8H6FNO2,,,,,,NKZSNHAEWKEFNE-AATRIKPKSA-N,,,,,,,,,,,
100.006.292,206-920-0,399-94-0,"2-bromo-1,4-difluorobenzene","2-bromo-1,4-difluorobenzene",Fc1ccc(F)c(Br)c1,Fc1ccc(F)c(Br)c1,InChI=1/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3H,C6H3BrF2,,,,,,XCRCSPKQEDMVBO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.293,206-921-6,400-04-4,"1,2,4-trichloro-5-fluorobenzene","1,2,4-trichloro-5-fluorobenzene",Fc1cc(Cl)c(Cl)cc1Cl,Fc1cc(Cl)c(Cl)cc1Cl,InChI=1/C6H2Cl3F/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,C6H2Cl3F,,,,,,BPLBJDXWALACBD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.298,206-926-3,400-98-6,"a,a,a-trifluoro-2-nitro-p-toluidine",2-nitro-4-(trifluoromethyl)aniline,Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F,Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F,"InChI=1/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2",C7H5F3N2O2,,,,,,ATXBGHLILIABGX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.301,206-930-5,401-56-9,Ethyl chlorofluoroacetate,ethyl chloro(fluoro)acetate,CCOC(=O)C(F)Cl,CCOC(=O)C(F)Cl,"InChI=1/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",C4H6ClFO2,,,,,,WUHVJSONZHSDFC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.677,210-643-0,620-59-7,"3,5-diiodo-DL-tyrosine","3,5-diiodotyrosine",Ic1cc(CC(N)C(O)=O)cc(I)c1O,Ic1cc(CC(N)C(O)=O)cc(I)c1O,"InChI=1/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)",C9H9I2NO3,,,,,,NYPYHUZRZVSYKL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.681,210-647-2,620-67-7,"Propane-1,2,3-triyl trisheptanoate","propane-1,2,3-triyl triheptanoate",CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,"InChI=1/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3",C24H44O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13795,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.681,PJHKBYALYHRYSK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.685,210-651-4,620-79-1,Ethyl 2-benzylacetoacetate,ethyl 2-benzyl-3-oxobutanoate,CCOC(=O)C(Cc1ccccc1)C(=O)C,CCOC(=O)C(Cc1ccccc1)C(=O)C,"InChI=1/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3",C13H16O3,,,,,,XDWQYMXQMNUWID-UHFFFAOYSA-N,,,,,,,,,,,
100.009.696,210-664-5,621-00-1,"1,3-di-p-tolylurea","1,3-bis(4-methylphenyl)urea",Cc1ccc(NC(=O)Nc2ccc(C)cc2)cc1,Cc1ccc(NC(=O)Nc2ccc(C)cc2)cc1,"InChI=1/C15H16N2O/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)",C15H16N2O,,,,,,HIIZOYBOCSCLPH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.697,210-665-0,621-01-2,"1,3-(di-p-tolyl)thiourea","1,3-bis(4-methylphenyl)thiourea",Cc1ccc(NC(=S)Nc2ccc(C)cc2)cc1,Cc1ccc(NC(=S)Nc2ccc(C)cc2)cc1,"InChI=1/C15H16N2S/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)",C15H16N2S,,,,,,ULNVBRUIKLYGDF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.698,210-666-6,621-03-4,2-cyanoacetanilide,2-cyano-N-phenylacetamide,O=C(CC#N)Nc1ccccc1,O=C(CC#N)Nc1ccccc1,"InChI=1/C9H8N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)",C9H8N2O,,,,,,XCTQPMCULSZKLT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.710,210-679-7,621-32-9,m-methylphenetole,1-ethoxy-3-methylbenzene,CCOc1cccc(C)c1,CCOc1cccc(C)c1,"InChI=1/C9H12O/c1-3-10-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",C9H12O,,,,,,UALKQROXOHJHFG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.717,210-687-0,621-42-1,Metacetamol,N-(3-hydroxyphenyl)acetamide,CC(=O)Nc1cccc(O)c1,CC(=O)Nc1cccc(O)c1,"InChI=1/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)",C8H9NO2,,,,,,QLNWXBAGRTUKKI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.974,208-770-1,541-19-5,Suxamethonium iodide,"2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium) diiodide",[I-].[I-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,[I-].[I-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,"InChI=1/C14H30N2O4.2HI/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",C14H30N2O4.2I,,,,,,QMJHHGXCWYZSBV-UHFFFAOYSA-L,,,,,,,,,,,
100.010.082,211-089-2,629-40-3,Suberonitrile,suberonitrile,N#CCCCCCCC#N,N#CCCCCCCC#N,InChI=1/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2,C8H12N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10122,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.082,BTNXBLUGMAMSSH-UHFFFAOYSA-N,,,,,,,,,,,
100.010.088,211-096-0,629-59-4,Tetradecane,tetradecane,CCCCCCCCCCCCCC,CCCCCCCCCCCCCC,"InChI=1/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3",C14H30,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13487,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.088,BGHCVCJVXZWKCC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.089,211-097-6,629-60-7,Tridecanenitrile,tridecanenitrile,CCCCCCCCCCCCC#N,CCCCCCCCCCCCC#N,"InChI=1/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-12H2,1H3",C13H25N,,,,,,WKJHMKQSIBMURP-UHFFFAOYSA-N,,,,,,,,,,,
100.010.094,211-102-1,629-66-3,Nonadecan-2-one,nonadecan-2-one,CCCCCCCCCCCCCCCCCC(=O)C,CCCCCCCCCCCCCCCCCC(=O)C,"InChI=1/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3",C19H38O,,,,,,IEDKVDCIEARIIU-UHFFFAOYSA-N,,,,,,,,,,,
100.010.095,211-103-7,629-70-9,Hexadecyl acetate,hexadecyl acetate,CCCCCCCCCCCCCCCCOC(=O)C,CCCCCCCCCCCCCCCCOC(=O)C,"InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3",C18H36O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17600,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.095,LSTDYDRCKUBPDI-UHFFFAOYSA-N,,,,,,,,,,,
100.010.097,211-105-8,629-73-2,Hexadec-1-ene,hexadec-1-ene,CCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCC=C,"InChI=1/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3",C16H32,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14122,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.097,GQEZCXVZFLOKMC-UHFFFAOYSA-N,,,,,,,,,,,
100.010.116,211-126-2,630-03-5,Nonacosane,nonacosane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3",C29H60,,,,,,IGGUPRCHHJZPBS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.732,207-403-2,468-07-5,Phenomorphan,17-(2-phenylethyl)morphinan-3-ol,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCc5ccccc5)c2c1,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCc5ccccc5)c2c1,"InChI=1/C24H29NO/c26-20-10-9-19-16-23-21-8-4-5-12-24(21,22(19)17-20)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2",C24H29NO,,,,,,CFBQYWXPZVQQTN-QPTUXGOLSA-N,,,,,,,,,,,
100.006.734,207-405-3,468-28-0,"3,5-dihydroxy-2,6,6-tris(3-methylbuten-2-yl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one","3,5-dihydroxy-4-(3-methylbutanoyl)-2,6,6-tris(2-methyl-1-methylenepropyl)cyclohexa-2,4-dien-1-one",CC(C)CC(=O)C1=C(O)C(C(=C)C(C)C)(C(=C)C(C)C)C(=O)C(=C1O)C(=C)C(C)C,CC(C)CC(=O)C1=C(O)C(C(=C)C(C)C)(C(=C)C(C)C)C(=O)C(=C1O)C(=C)C(C)C,"InChI=1/C26H38O4/c1-13(2)12-20(27)22-23(28)21(17(9)14(3)4)24(29)26(25(22)30,18(10)15(5)6)19(11)16(7)8/h13-16,28,30H,9-12H2,1-8H3",C26H38O4,,,,,,UTPGDGHQHCSOFW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.740,207-412-1,468-61-1,Oxeladin,2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,"InChI=1/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3",C20H33NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15929,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.740,IQADUMSPOQKAAO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.742,207-414-2,469-21-6,Doxylamine,"N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine",CN(C)CCOC(C)(c1ccccc1)c2ccccn2,CN(C)CCOC(C)(c1ccccc1)c2ccccn2,"InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3",C17H22N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7130,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.742,HCFDWZZGGLSKEP-UHFFFAOYSA-N,Positive,EQ301801|EQ301802|EQ301803|EQ301804|EQ301805|EQ301806,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,182.0964:271.1804:90.0913|182.0964:90.0913:167.0729|182.0964:167.0729:90.0913|167.0729:182.0963:90.0913|167.073:182.0964:72.0807|167.073:182.0963:72.0807,Eawag,,,,,
100.006.744,207-416-3,469-32-9,2-C-[(galloyloxy)methyl]-D-ribose 5-gallate,"5-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribose",O[C@H](COC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@](O)(COC(=O)c2cc(O)c(O)c(O)c2)C=O,O[C@H](COC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@](O)(COC(=O)c2cc(O)c(O)c(O)c2)C=O,"InChI=1/C20H20O14/c21-6-20(32,7-34-19(31)9-3-12(24)16(28)13(25)4-9)17(29)14(26)5-33-18(30)8-1-10(22)15(27)11(23)2-8/h1-4,6,14,17,22-29,32H,5,7H2",C20H20O14,,,,,,STINYPFJROKCKD-WIBUTAKZSA-N,,,,,,,,,,,
100.006.746,207-418-4,469-61-4,"[3R-(3a,3aß,7ß,8aa)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene",cedr-8-ene,CC1CCC2C(C)(C)C3CC12CC=C3C,CC1CCC2C(C)(C)C3CC12CC=C3C,"InChI=1/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3",C15H24,,,,,,IRAQOCYXUMOFCW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.748,207-421-0,469-79-4,Ketobemidone,1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one,CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2,CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2,"InChI=1/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3",C15H21NO2,,,,,,ALFGKMXHOUSVAD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.749,207-422-6,469-81-8,Morpheridine,ethyl 1-(2-morpholin-4-ylethyl)-4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(CCN2CCOCC2)CC1)c3ccccc3,CCOC(=O)C1(CCN(CCN2CCOCC2)CC1)c3ccccc3,"InChI=1/C20H30N2O3/c1-2-25-19(23)20(18-6-4-3-5-7-18)8-10-21(11-9-20)12-13-22-14-16-24-17-15-22/h3-7H,2,8-17H2,1H3",C20H30N2O3,,,,,,JDEDMCKQPKGSAX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.759,207-433-6,470-99-5,"3,5,5-trimethylcyclohex-2-en-1-ol","3,5,5-trimethylcyclohex-2-en-1-ol",CC1=CC(O)CC(C)(C)C1,CC1=CC(O)CC(C)(C)C1,"InChI=1/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h4,8,10H,5-6H2,1-3H3",C9H16O,,,,,,LDRWAWZXDDBHTG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.764,207-438-3,471-29-4,N-methylguanidine,1-methylguanidine,CNC(=N)N,CNC(=N)N,"InChI=1/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)",C2H7N3,,,,,,CHJJGSNFBQVOTG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.742,210-715-1,621-92-1,N-benzyl-4-hydroxyanilinium chloride,N-benzyl-4-hydroxyanilinium chloride,[Cl-].Oc1ccc([NH2+]Cc2ccccc2)cc1,[Cl-].Oc1ccc([NH2+]Cc2ccccc2)cc1,"InChI=1/C13H13NO.ClH/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14-15H,10H2;1H",C13H13NO.ClH,,,,,,JBXHUWBBVGSDJX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.751,210-725-6,622-24-2,1-chloro-2-phenylethane,(2-chloroethyl)benzene,ClCCc1ccccc1,ClCCc1ccccc1,"InChI=1/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18005,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.751,MNNZINNZIQVULG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.752,210-726-1,622-25-3,(2-chlorovinyl)benzene,(2-chlorovinyl)benzene,Cl\\C=C\\c1ccccc1,Cl\C=C\c1ccccc1,InChI=1/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H,C8H7Cl,,,,,,SBYMUDUGTIKLCR-VOTSOKGWSA-N,,,,,,,,,,,
100.009.758,210-732-4,622-39-9,2-propylpyridine,2-propylpyridine,CCCc1ccccn1,CCCc1ccccn1,"InChI=1/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3",C8H11N,,,,,,OIALIKXMLIAOSN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.761,210-736-6,622-45-7,Cyclohexyl acetate,cyclohexyl acetate,CC(=O)OC1CCCCC1,CC(=O)OC1CCCCC1,"InChI=1/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3",C8H14O2,,,,,,YYLLIJHXUHJATK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.768,210-743-4,622-58-2,p-tolyl isocyanate,1-isocyanato-4-methylbenzene,Cc1ccc(cc1)N=C=O,Cc1ccc(cc1)N=C=O,"InChI=1/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3",C8H7NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10377,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.768,MGYGFNQQGAQEON-UHFFFAOYSA-N,,,,,,,,,,,
100.009.769,210-745-5,622-59-3,p-tolyl isothiocyanate,1-isothiocyanato-4-methylbenzene,Cc1ccc(cc1)N=C=S,Cc1ccc(cc1)N=C=S,"InChI=1/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3",C8H7NS,,,,,,ABQKHKWXTUVKGF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.774,210-750-2,622-68-4,4-(4-dimethylaminophenylazo)phenylarsonic acid,(4-{[4-(dimethylamino)phenyl]diazenyl}phenyl)arsonic acid,O[As](O)(=O)c2ccc(N=Nc1ccc(cc1)N(C)C)cc2,O[As](O)(=O)c2ccc(N=Nc1ccc(cc1)N(C)C)cc2,"InChI=1/C14H16AsN3O3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19,20)21/h3-10H,1-2H3,(H2,19,20,21)",C14H16AsN3O3,,,,,,VESQGSDAHXGDIU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.027,208-829-1,542-83-6,Cadmium cyanide,cadmium dicyanide,[Cd+2].[C-]#N.[C-]#N,[Cd+2].[C-]#N.[C-]#N,InChI=1/2CN.Cd/c2*1-2;/q2*-1;+2,C2CdN2,,,,,,NHMJUOSYSOOPDM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.035,208-838-0,543-20-4,Succinyl dichloride,succinoyl dichloride,ClC(=O)CCC(=O)Cl,ClC(=O)CCC(=O)Cl,InChI=1/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2,C4H4Cl2O2,,,,,,IRXBNHGNHKNOJI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.038,208-841-7,543-28-2,Isobutyl carbamate,isobutyl carbamate,CC(C)COC(=O)N,CC(C)COC(=O)N,"InChI=1/C5H11NO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H2,6,7)",C5H11NO2,,,,,,BRUZQRBVNRKLJG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.042,208-845-9,543-54-4,Pyridinium hydrogen sulphate,pyridinium hydrogen sulfate,[O-]S(=O)(=O)[O-].c1cc[nH+]cc1,[O-]S(=O)(=O)[O-].c1cc[nH+]cc1,"InChI=1/C5H5N.H2O4S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-5H;(H2,1,2,3,4)/p-1",C5H5N.H2O4S,,,,,,ZNCXUFVDFVBRDO-UHFFFAOYSA-M,,,,,,,,,,,
100.008.043,208-846-4,543-59-9,1-chloropentane,1-chloropentane,CCCCCCl,CCCCCCl,"InChI=1/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3",C5H11Cl,,,,,,SQCZQTSHSZLZIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.051,208-855-3,543-99-7,Diisopentylammonium chloride,3-methyl-N-(3-methylbutyl)butan-1-aminium chloride,[Cl-].CC(C)CC[NH2+]CCC(C)C,[Cl-].CC(C)CC[NH2+]CCC(C)C,"InChI=1/C10H23N.ClH/c1-9(2)5-7-11-8-6-10(3)4;/h9-11H,5-8H2,1-4H3;1H",C10H23N.ClH,,,,,,RCJGSLQDTTUTKL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.053,208-857-4,544-01-4,Diisopentyl ether,"1,1'-oxybis(3-methylbutane)",CC(C)CCOCCC(C)C,CC(C)CCOCCC(C)C,"InChI=1/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3",C10H22O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11852,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.053,AQZGPSLYZOOYQP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.055,208-860-0,544-12-7,Hex-3-en-1-ol,hex-3-en-1-ol,CCC=CCCO,CCC=CCCO,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3",C6H12O,,,,,,UFLHIIWVXFIJGU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.062,208-867-9,544-31-0,Palmidrol,N-(2-hydroxyethyl)hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCCCCCC(=O)NCCO,"InChI=1/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",C18H37NO2,,,,,,HXYVTAGFYLMHSO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.064,208-870-5,544-40-1,Dibutyl sulphide,"1,1'-sulfanediyldibutane",CCCCSCCCC,CCCCSCCCC,"InChI=1/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",C8H18S,,,,,,HTIRHQRTDBPHNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.068,208-874-7,544-62-7,Batilol,"3-(octadecyloxy)propane-1,2-diol",CCCCCCCCCCCCCCCCCCOCC(O)CO,CCCCCCCCCCCCCCCCCCOCC(O)CO,"InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3",C21H44O3,,,,,,OGBUMNBNEWYMNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.069,208-875-2,544-63-8,Myristic acid,myristic acid,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O,"InChI=1/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",C14H28O2,,,,,,TUNFSRHWOTWDNC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.088,226-497-6,5412-69-1,5-diethylaminopentan-2-ol,5-(diethylamino)pentan-2-ol,CCN(CC)CCCC(C)O,CCN(CC)CCCC(C)O,"InChI=1/C9H21NO/c1-4-10(5-2)8-6-7-9(3)11/h9,11H,4-8H2,1-3H3",C9H21NO,,,,,,OAQYRNDEOJQVBN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.098,226-507-9,5415-44-1,"7,9-dihydro-1,3,7-trimethyl-1H-purine-2,6,8(3H)-trione","1,3,7-trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O,CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O,"InChI=1/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)",C8H10N4O3,,,,,,BYXCFUMGEBZDDI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.101,226-511-0,5416-55-7,"2,2,6,6-tetrakis(hydroxymethyl)cyclohexanol","2,2,6,6-tetrakis(hydroxymethyl)cyclohexanol",OCC1(CO)CCCC(CO)(CO)C1O,OCC1(CO)CCCC(CO)(CO)C1O,"InChI=1/C10H20O5/c11-4-9(5-12)2-1-3-10(6-13,7-14)8(9)15/h8,11-15H,1-7H2",C10H20O5,,,,,,ICVIFRMLTBUBGF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.102,226-512-6,5416-80-8,2-methyl-1H-indole-3-carbaldehyde,2-methyl-1H-indole-3-carbaldehyde,Cc1[nH]c2ccccc2c1C=O,Cc1[nH]c2ccccc2c1C=O,"InChI=1/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3",C10H9NO,,,,,,CYZIVXOEJNAIBS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.103,226-513-1,5416-93-3,4-methoxyphenyl isocyanate,1-isocyanato-4-methoxybenzene,COc1ccc(cc1)N=C=O,COc1ccc(cc1)N=C=O,"InChI=1/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3",C8H7NO2,,,,,,FMDGXCSMDZMDHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.106,226-516-8,5417-24-3,4-(dibutylamino)butyronitrile,4-(dibutylamino)butanenitrile,CCCCN(CCCC)CCCC#N,CCCCN(CCCC)CCCC#N,"InChI=1/C12H24N2/c1-3-5-10-14(11-6-4-2)12-8-7-9-13/h3-8,10-12H2,1-2H3",C12H24N2,,,,,,VQPZLDJVFUXXGU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.111,226-522-0,5417-86-7,6-propoxy-1H-purine,6-propoxy-1H-purine,CCCOc1[nH]cnc2ncnc12,CCCOc1[nH]cnc2ncnc12,"InChI=1/C8H10N4O/c1-2-3-13-8-6-7(10-4-9-6)11-5-12-8/h4-5H,2-3H2,1H3,(H,9,10,11,12)",C8H10N4O,,,,,,UQQKEKTYLCCYSN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.112,226-523-6,5418-10-0,"4-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine","4-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine",CSc1ncnc2[nH]ncc12,CSc1ncnc2[nH]ncc12,"InChI=1/C6H6N4S/c1-11-6-4-2-9-10-5(4)7-3-8-6/h2-3H,1H3,(H,7,8,9,10)",C6H6N4S,,,,,,BLEJJILOVWBLBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.115,226-526-2,5418-63-3,"1,2,3,3-tetramethyl-3H-indolium iodide","1,2,3,3-tetramethyl-3H-indolium iodide",[I-].CC1=[N+](C)c2ccccc2C1(C)C,[I-].CC1=[N+](C)c2ccccc2C1(C)C,"InChI=1/C12H16N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-8H,1-4H3;1H/q+1;/p-1",C12H16N.I,,,,,,HCYIOKVZAATOEW-UHFFFAOYSA-M,,,,,,,,,,,
100.024.120,226-532-5,5420-17-7,Tetrahydrofurfuryl oleate,tetrahydrofuran-2-ylmethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC1CCCO1,CCCCCCCC\C=C/CCCCCCCC(=O)OCC1CCCO1,"InChI=1/C23H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(24)26-21-22-18-17-20-25-22/h9-10,22H,2-8,11-21H2,1H3",C23H42O3,,,,,,GIPDEPRRXIBGNF-KTKRTIGZSA-N,,,,,,,,,,,
100.024.124,226-536-7,5/12/5421,"4-methyl-2-nonyl-1,3-dioxolane","4-methyl-2-nonyl-1,3-dioxolane",CCCCCCCCCC1OCC(C)O1,CCCCCCCCCC1OCC(C)O1,"InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-13H,3-11H2,1-2H3",C13H26O2,,,,,,SJLDHKPBFAHHSI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.690,230-458-9,7147-42-4,"2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-methylphenyl)-3-oxobutanamide]",COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(OC)c4,COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(OC)c4,"InChI=1/C36H36N6O6/c1-21-11-7-9-13-27(21)37-35(45)33(23(3)43)41-39-29-17-15-25(19-31(29)47-5)26-16-18-30(32(20-26)48-6)40-42-34(24(4)44)36(46)38-28-14-10-8-12-22(28)2/h7-20,33-34H,1-6H3,(H,37,45)(H,38,46)",C36H36N6O6,,,,,,WYFHUBCFEZAVLO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.691,230-459-4,7147-77-5,5-(4-nitrophenyl)-2-furaldehyde,5-(4-nitrophenyl)-2-furaldehyde,[O-][N+](=O)c1ccc(cc1)c2oc(C=O)cc2,[O-][N+](=O)c1ccc(cc1)c2oc(C=O)cc2,InChI=1/C11H7NO4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-7H,C11H7NO4,,,,,,RTSOJVJDKNKNFU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.695,230-464-1,7148-24-5,Diethyl N-(4-nitrobenzoyl)-L-glutamate,diethyl N-(4-nitrobenzoyl)-L-glutamate,CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)OCC,CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)OCC,"InChI=1/C16H20N2O7/c1-3-24-14(19)10-9-13(16(21)25-4-2)17-15(20)11-5-7-12(8-6-11)18(22)23/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,20)",C16H20N2O7,,,,,,OTQQWHKIMACEHP-ZDUSSCGKSA-N,,,,,,,,,,,
100.027.696,230-465-7,7148-50-7,"5-methyl-5-propyl-1,3-dioxan-2-one","5-methyl-5-propyl-1,3-dioxan-2-one",CCCC1(C)COC(=O)OC1,CCCC1(C)COC(=O)OC1,"InChI=1/C8H14O3/c1-3-4-8(2)5-10-7(9)11-6-8/h3-6H2,1-2H3",C8H14O3,,,,,,QPAWSFWKAUAJKW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.702,230-472-5,7149-26-0,Linalyl anthranilate,"1,5-dimethyl-1-vinylhex-4-en-1-yl 2-aminobenzoate",CC(=CCCC(C)(OC(=O)c1ccccc1N)C=C)C,CC(=CCCC(C)(OC(=O)c1ccccc1N)C=C)C,"InChI=1/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3",C17H23NO2,,,,,,WHIJSULEEDNKPD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.978,208-774-3,541-31-1,3-methylbutane-1-thiol,3-methylbutane-1-thiol,CC(C)CCS,CC(C)CCS,"InChI=1/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",C5H12S,,,,,,GIJGXNFNUUFEGH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.980,208-776-4,541-35-5,Butyramide,butyramide,CCCC(=O)N,CCCC(=O)N,"InChI=1/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)",C4H9NO,,,,,,DNSISZSEWVHGLH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.982,208-779-0,541-42-4,Isopropyl nitrite,isopropyl nitrite,CC(C)ON=O,CC(C)ON=O,"InChI=1/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3",C3H7NO2,,,,,,SKRDXYBATCVEMS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.986,208-783-2,541-48-0,3-aminobutyric acid,3-aminobutanoic acid,CC(N)CC(=O)O,CC(N)CC(=O)O,"InChI=1/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2,,,,,,OQEBBZSWEGYTPG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.989,208-786-9,541-58-2,"2,4-dimethylthiazole","2,4-dimethyl-1,3-thiazole",Cc1csc(C)n1,Cc1csc(C)n1,"InChI=1/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3",C5H7NS,,,,,,OBSLLHNATPQFMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.991,208-789-5,541-64-0,Furtrethonium iodide,"2-furyl-N,N,N-trimethylmethanaminium iodide",[I-].C[N+](C)(C)Cc1occc1,[I-].C[N+](C)(C)Cc1occc1,"InChI=1/C8H14NO.HI/c1-9(2,3)7-8-5-4-6-10-8;/h4-6H,7H2,1-3H3;1H/q+1;/p-1",C8H14NO.I,,,,,,YKASHPSKFYVZRC-UHFFFAOYSA-M,,,,,,,,,,,
100.008.004,208-804-5,542-15-4,Anilinium nitrate,anilinium nitrate,[NH3+]c1ccccc1.[O-][N+](=O)[O-],[NH3+]c1ccccc1.[O-][N+](=O)[O-],"InChI=1/C6H7N.NO3/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5H,7H2;/q;-1/p+1",C6H7N.HNO3,,,,,,HGJMFBLKPZELQG-UHFFFAOYSA-O,,,,,,,,,,,
100.008.007,208-807-1,542-28-9,d-valerolactone,tetrahydro-2H-pyran-2-one,O=C1CCCCO1,O=C1CCCCO1,InChI=1/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2,C5H8O2,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11299,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.007,OZJPLYNZGCXSJM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.010,208-810-8,542-40-5,"6,6'-diapo-<U+03C8>,<U+03C8>-carotenedioic acid","4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C(=O)O)\\C=C\\C=C(/C)\\C=C\\C(=O)O,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)O)\C=C\C=C(/C)\C=C\C(=O)O,"InChI=1/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)",C24H28O4,,,,,,ZVKOASAVGLETCT-UOGKPENDSA-N,,,,,,,,,,,
100.008.017,208-818-1,542-55-2,Isobutyl formate,isobutyl formate,CC(C)COC=O,CC(C)COC=O,"InChI=1/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3",C5H10O2,,,,,,AVMSWPWPYJVYKY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.021,208-822-3,542-62-1,Barium cyanide,barium dicyanide,[Ba+2].[C-]#N.[C-]#N,[Ba+2].[C-]#N.[C-]#N,InChI=1/2CN.Ba/c2*1-2;/q2*-1;+2,C2BaN2,,,,,,UNLSXXHOHZUADN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.024,208-826-5,542-75-6,"1,3-dichloropropene","1,3-dichloroprop-1-ene",ClCC=CCl,ClCC=CCl,"InChI=1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2",C3H4Cl2,,,,,,UOORRWUZONOOLO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.946,209-838-3,594-38-7,2-iodo-2-methylbutane,2-iodo-2-methylbutane,CCC(C)(C)I,CCC(C)(C)I,"InChI=1/C5H11I/c1-4-5(2,3)6/h4H2,1-3H3",C5H11I,,,,,,NWRZTQFWFPLHHX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.947,209-839-9,594-39-8,tert-pentylamine,2-methylbutan-2-amine,CCC(C)(C)N,CCC(C)(C)N,"InChI=1/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3",C5H13N,,,,,,GELMWIVBBPAMIO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.948,209-840-4,594-42-3,Trichloromethanesulphenyl chloride,trichloromethanesulfenyl chloride,ClSC(Cl)(Cl)Cl,ClSC(Cl)(Cl)Cl,"InChI=1/CCl4S/c2-1(3,4)6-5",CCl4S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6687,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.948,RYFZYYUIAZYQLC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.953,209-846-7,594-58-1,2-chloro-2-methylpropionic acid,2-chloro-2-methylpropanoic acid,CC(C)(Cl)C(=O)O,CC(C)(Cl)C(=O)O,"InChI=1/C4H7ClO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)",C4H7ClO2,,,,,,MYCXCBCDXVFXNE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.969,209-864-5,595-33-5,"17-hydroxy-6-methylpregna-4,6-diene-3,20-dione 17-acetate","6-methyl-3,20-dioxopregna-4,6-dien-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3",C24H32O4,,,,,,RQZAXGRLVPAYTJ-GQFGMJRRSA-N,Positive,SM875001,[M+H]+,HCD35,385.2373:325.2162:267.1743,CASMI_2016,,,,,
100.008.975,209-870-8,595-84-6,Ethylmethylmalonic acid,ethyl(methyl)malonic acid,CCC(C)(C(=O)O)C(=O)O,CCC(C)(C(=O)O)C(=O)O,"InChI=1/C6H10O4/c1-3-6(2,4(7)8)5(9)10/h3H2,1-2H3,(H,7,8)(H,9,10)",C6H10O4,,,,,,OGAFKQWRXQJXJD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.976,209-871-3,595-89-1,Tetraphenyllead,tetraphenylplumbane,c1ccc(cc1)[Pb](c2ccccc2)(c3ccccc3)c4ccccc4,c1ccc(cc1)[Pb](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/4C6H5.Pb/c4*1-2-4-6-5-3-1;/h4*1-5H;/rC24H20Pb/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C24H20Pb,,,,,,WBJSMHDYLOJVKC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.767,207-442-5,471-46-5,Oxamide,oxalamide,NC(=O)C(=O)N,NC(=O)C(=O)N,"InChI=1/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)",C2H4N2O2,,,,,,YIKSCQDJHCMVMK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.771,207-446-7,471-90-9,"2,6,6-trimethylcyclohexene-1-carboxylic acid","2,6,6-trimethylcyclohex-1-ene-1-carboxylic acid",CC1=C(C(=O)O)C(C)(C)CCC1,CC1=C(C(=O)O)C(C)(C)CCC1,"InChI=1/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-6H2,1-3H3,(H,11,12)",C10H16O2,,,,,,XOQRKINTHIDGND-UHFFFAOYSA-N,,,,,,,,,,,
100.006.774,207-449-3,472-20-8,"2,6,6-trimethylcyclohexene-1-methanol","(2,6,6-trimethylcyclohex-1-en-1-yl)methanol",CC1=C(CO)C(C)(C)CCC1,CC1=C(CO)C(C)(C)CCC1,"InChI=1/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h11H,4-7H2,1-3H3",C10H18O,,,,,,QWNGCDQJLXENDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.775,207-450-9,472-41-3,"p-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)phenol","4-(2,2,4-trimethyl-3,4-dihydro-2H-chromen-4-yl)phenol",CC1(C)CC(C)(c2ccc(O)cc2)c3ccccc3O1,CC1(C)CC(C)(c2ccc(O)cc2)c3ccccc3O1,"InChI=1/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3",C18H20O2,,,,,,KXYDGGNWZUHESZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.244,210-167-3,608-71-9,Pentabromophenol,pentabromophenol,Oc1c(Br)c(Br)c(Br)c(Br)c1Br,Oc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,C6HBr5O,,,,,,SVHOVVJFOWGYJO-UHFFFAOYSA-N,Negative,,,,,,SM809453,[M-H]-,HCD35,482.5871:180.9171,CASMI_2016
100.009.249,210-173-6,609-02-9,Dimethyl methylmalonate,dimethyl methylmalonate,COC(=O)C(C)C(=O)OC,COC(=O)C(C)C(=O)OC,"InChI=1/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3",C6H10O4,,,,,,LRBPFPZTIZSOGG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.250,210-174-1,609-06-3,L-(-)-xylose,D-xylose,O[C@@H](C=O)[C@@H](O)[C@H](O)CO,O[C@@H](C=O)[C@@H](O)[C@H](O)CO,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-VPENINKCSA-N,,,,,,,,,,,
100.009.255,210-179-9,609-14-3,Ethyl 2-methylacetoacetate,ethyl 2-methyl-3-oxobutanoate,CCOC(=O)C(C)C(=O)C,CCOC(=O)C(C)C(=O)C,"InChI=1/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3",C7H12O3,,,,,,FNENWZWNOPCZGK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.258,210-183-0,609-19-8,"3,4,5-trichlorophenol","3,4,5-trichlorophenol",Oc1cc(Cl)c(Cl)c(Cl)c1,Oc1cc(Cl)c(Cl)c(Cl)c1,"InChI=1/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H",C6H3Cl3O,,,,,,GBNHEBQXJVDXSW-UHFFFAOYSA-N,Negative,,,,,,SM864752,[M-H]-,HCD35,194.9177:158.941,CASMI_2016
100.009.259,210-184-6,609-20-1,"2,6-dichlorobenzene-1,4-diamine","2,6-dichlorobenzene-1,4-diamine",Nc1cc(Cl)c(N)c(Cl)c1,Nc1cc(Cl)c(N)c(Cl)c1,"InChI=1/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2",C6H6Cl2N2,,,,,,HQCHAOKWWKLXQH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.260,210-185-1,609-21-2,"4-amino-2,6-dibromophenol","4-amino-2,6-dibromophenol",Nc1cc(Br)c(O)c(Br)c1,Nc1cc(Br)c(O)c(Br)c1,"InChI=1/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2",C6H5Br2NO,,,,,,HFYPXERYZGFDBD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.262,210-187-2,609-26-7,3-ethyl-2-methylpentane,3-ethyl-2-methylpentane,CCC(CC)C(C)C,CCC(CC)C(C)C,"InChI=1/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3",C8H18,,,,,,DUPUVYJQZSLSJB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.268,210-194-0,609-65-4,2-chlorobenzoyl chloride,2-chlorobenzoyl chloride,ClC(=O)c1ccccc1Cl,ClC(=O)c1ccccc1Cl,InChI=1/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,C7H4Cl2O,,,,,,ONIKNECPXCLUHT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.269,210-195-6,609-66-5,2-chlorobenzamide,2-chlorobenzamide,NC(=O)c1ccccc1Cl,NC(=O)c1ccccc1Cl,"InChI=1/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)",C7H6ClNO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6240,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.269,RBGDLYUEXLWQBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.271,210-197-7,609-70-1,4-hydroxynicotinic acid,4-hydroxynicotinic acid,OC(=O)c1cnccc1O,OC(=O)c1cnccc1O,"InChI=1/C6H5NO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3H,(H,7,8)(H,9,10)",C6H5NO3,,,,,,CHCUBGPSZDGABM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.273,210-199-8,609-72-3,"N,N'-dimethyl-o-toluidine","N,N,2-trimethylaniline",CN(C)c1ccccc1C,CN(C)c1ccccc1C,"InChI=1/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3",C9H13N,,,,,,JDEJGVSZUIJWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.276,210-202-2,609-89-2,"2,4-dichloro-6-nitrophenol","2,4-dichloro-6-nitrophenol",Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-],Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-],"InChI=1/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H",C6H3Cl2NO3,,,,,,LYPMXMBQPXPNIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.277,210-203-8,609-93-8,"2,6-dinitro-p-cresol","4-methyl-2,6-dinitrophenol",Cc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],Cc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3",C7H6N2O5,,,,,,HOYRZHJJAHRMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.279,210-205-9,610-02-6,"2,3,4-trihydroxybenzoic acid","2,3,4-trihydroxybenzoic acid",OC(=O)c1ccc(O)c(O)c1O,OC(=O)c1ccc(O)c(O)c1O,"InChI=1/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)",C7H6O5,,,,,,BRRSNXCXLSVPFC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.282,210-209-0,610-16-2,2-(dimethylamino)benzoic acid,2-(dimethylamino)benzoic acid,CN(C)c1ccccc1C(=O)O,CN(C)c1ccccc1C(=O)O,"InChI=1/C9H11NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)",C9H11NO2,,,,,,DVVXXHVHGGWWPE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.070,208-876-8,544-64-9,(Z)-tetradec-9-enoic acid,tetradec-9-enoic acid,CCCC\\C=C/CCCCCCCC(=O)O,CCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)",C14H26O2,,,,,,YWWVWXASSLXJHU-WAYWQWQTSA-N,,,,,,,,,,,
100.008.076,208-883-6,544-92-3,Copper cyanide,copper(1+) cyanide,[Cu+].[C-]#N,[Cu+].[C-]#N,InChI=1/CN.Cu/c1-2;/q-1;+1,CCuN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2024,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.076,DOBRDRYODQBAMW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.999,209-897-5,597-33-1,"3-chloro-2-methylpropane-1,2-diol","3-chloro-2-methylpropane-1,2-diol",CC(O)(CO)CCl,CC(O)(CO)CCl,"InChI=1/C4H9ClO2/c1-4(7,2-5)3-6/h6-7H,2-3H2,1H3",C4H9ClO2,,,,,,AVVXLRRTQZKHSP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.000,209-898-0,597-35-3,Diethyl sulphone,"1,1'-sulfonyldiethane",CCS(=O)(=O)CC,CCS(=O)(=O)CC,"InChI=1/C4H10O2S/c1-3-7(5,6)4-2/h3-4H2,1-2H3",C4H10O2S,,,,,,MBDUIEKYVPVZJH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.009,209-908-3,597-76-2,3-ethylhexan-3-ol,3-ethylhexan-3-ol,CCCC(O)(CC)CC,CCCC(O)(CC)CC,"InChI=1/C8H18O/c1-4-7-8(9,5-2)6-3/h9H,4-7H2,1-3H3",C8H18O,,,,,,WNDLTOTUHMHNOC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.012,209-912-5,598-02-7,Diethyl hydrogen phosphate,diethyl hydrogen phosphate,CCOP(=O)(O)OCC,CCOP(=O)(O)OCC,"InChI=1/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)",C4H11O4P,,,,,,UCQFCFPECQILOL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.016,209-916-7,598-09-4,2-(chloromethyl)-2-methyloxirane,2-(chloromethyl)-2-methyloxirane,CC1(CCl)CO1,CC1(CCl)CO1,"InChI=1/C4H7ClO/c1-4(2-5)3-6-4/h2-3H2,1H3",C4H7ClO,,,,,,VVHFXJOCUKBZFS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.019,209-919-3,598-14-1,Dichloro(ethyl)arsine,ethylarsonous dichloride,CC[As](Cl)Cl,CC[As](Cl)Cl,"InChI=1/C2H5AsCl2/c1-2-3(4)5/h2H2,1H3",C2H5AsCl2,,,,,,LQSFEOMOHFPNEB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.024,209-925-6,598-23-2,3-methylbut-1-yne,3-methylbut-1-yne,CC(C)C#C,CC(C)C#C,"InChI=1/C5H8/c1-4-5(2)3/h1,5H,2-3H3",C5H8,,,,,,USCSRAJGJYMJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.039,209-941-3,598-58-3,Methyl nitrate,methyl nitrate,CO[N+](=O)[O-],CO[N+](=O)[O-],InChI=1/CH3NO3/c1-5-2(3)4/h1H3,CH3NO3,,,,,,LRMHVVPPGGOAJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.046,209-949-7,598-74-3,"1,2-dimethylpropylamine",3-methylbutan-2-amine,CC(C)C(C)N,CC(C)C(C)N,"InChI=1/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3",C5H13N,,,,,,JOZZAIIGWFLONA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.048,209-951-8,598-77-6,"1,1,2-trichloropropane","1,1,2-trichloropropane",CC(Cl)C(Cl)Cl,CC(Cl)C(Cl)Cl,"InChI=1/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3",C3H5Cl3,,,,,,GRSQYISVQKPZCW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.053,209-957-0,598-94-7,"1,1-dimethylurea","1,1-dimethylurea",CN(C)C(=O)N,CN(C)C(=O)N,"InChI=1/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)",C3H8N2O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18922,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.053,YBBLOADPFWKNGS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.363,206-998-6,420-87-1,"Sodium 2,2,2-trifluoroethanolate","sodium 2,2,2-trifluoroethanolate",[Na+].[O-]CC(F)(F)F,[Na+].[O-]CC(F)(F)F,"InChI=1/C2H2F3O.Na/c3-2(4,5)1-6;/h1H2;/q-1;+1",C2H3F3O.Na,,,,,,MSGMXYUAWZYTFC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.364,206-999-1,420-97-3,"1,2-dichloro-2-fluoropropane","1,2-dichloro-2-fluoropropane",CC(F)(Cl)CCl,CC(F)(Cl)CCl,"InChI=1/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3",C3H5Cl2F,,,,,,OTKOPXLUNRNYCD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.367,207-002-2,421-07-8,"1,1,1-trifluoropropane","1,1,1-trifluoropropane",CCC(F)(F)F,CCC(F)(F)F,"InChI=1/C3H5F3/c1-2-3(4,5)6/h2H2,1H3",C3H5F3,,,,,,KDWQLICBSFIDRM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.368,207-003-8,421-17-0,Trifluoromethanesulphenyl chloride,trifluoromethanesulfenyl chloride,FC(F)(F)SCl,FC(F)(F)SCl,"InChI=1/CClF3S/c2-6-1(3,4)5",CClF3S,,,,,,RQYLOOVORNJDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.375,207-011-1,422-04-8,Pentafluoropropiononitrile,pentafluoropropanenitrile,FC(F)(F)C(F)(F)C#N,FC(F)(F)C(F)(F)C#N,"InChI=1/C3F5N/c4-2(5,1-9)3(6,7)8",C3F5N,,,,,,MTLOQUGSPBVZEO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.378,207-014-8,422-54-8,"1,3,3-trichloro-1,1,2,2-tetrafluoropropane","1,3,3-trichloro-1,1,2,2-tetrafluoropropane",FC(F)(Cl)C(F)(F)C(Cl)Cl,FC(F)(Cl)C(F)(F)C(Cl)Cl,"InChI=1/C3HCl3F4/c4-1(5)2(7,8)3(6,9)10/h1H",C3HCl3F4,,,,,,WWNLOOSSVHRIFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.383,207-020-0,422-63-9,"2,2,3,3,3-pentafluoropropane-1,1-diol","2,2,3,3,3-pentafluoropropane-1,1-diol",OC(O)C(F)(F)C(F)(F)F,OC(O)C(F)(F)C(F)(F)F,"InChI=1/C3H3F5O2/c4-2(5,1(9)10)3(6,7)8/h1,9-10H",C3H3F5O2,,,,,,BQAOCAJBGDDVSL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.384,207-021-6,422-64-0,Pentafluoropropionic acid,pentafluoropropanoic acid,OC(=O)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)F,"InChI=1/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)",C3HF5O2,,,,,,LRMSQVBRUNSOJL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.704,230-474-6,7149-29-3,2-methylallyl butyrate,2-methylprop-2-en-1-yl butyrate,CCCC(=O)OCC(=C)C,CCCC(=O)OCC(=C)C,"InChI=1/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h2,4-6H2,1,3H3",C8H14O2,,,,,,AHRIFIYGSJEEKU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.708,230-478-8,7149-44-2,N-(4-pyridylmethyl)ethylenediamine,"N-(pyridin-4-ylmethyl)ethane-1,2-diamine",NCCNCc1ccncc1,NCCNCc1ccncc1,"InChI=1/C8H13N3/c9-3-6-11-7-8-1-4-10-5-2-8/h1-2,4-5,11H,3,6-7,9H2",C8H13N3,,,,,,BGCZGXQDXVUOKK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.717,230-488-2,8/05/7152,N-[[4-phenyl-1-(phenylmethyl)-4-piperidinyl]methyl]acetamide,N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]acetamide,CC(=O)NCC1(CCN(Cc2ccccc2)CC1)c3ccccc3,CC(=O)NCC1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C21H26N2O/c1-18(24)22-17-21(20-10-6-3-7-11-20)12-14-23(15-13-21)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,22,24)",C21H26N2O,,,,,,VJMHVFBEQKKTBK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.723,230-495-0,7152-32-1,4-cyclohexyl-3-buten-2-one,4-cyclohexylbut-3-en-2-one,CC(=O)C=CC1CCCCC1,CC(=O)C=CC1CCCCC1,"InChI=1/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3",C10H16O,,,,,,PZJXLLHDHUDWFH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.726,230-498-7,7153-14-2,2-butylidenecyclohexanone,2-butylidenecyclohexanone,O=C1CCCCC1=CCCC,O=C1CCCCC1=CCCC,"InChI=1/C10H16O/c1-2-3-6-9-7-4-5-8-10(9)11/h6H,2-5,7-8H2,1H3",C10H16O,,,,,,MYSLPKPAMDRDGE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.727,230-499-2,7153-21-1,"Disodium 3,6-dihydroxynaphthalene-2,7-disulphonate","disodium 3,6-dihydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc1cc2cc(O)c(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc2cc(O)c(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O8S2.2Na/c11-7-1-5-2-8(12)10(20(16,17)18)4-6(5)3-9(7)19(13,14)15;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",C10H8O8S2.2Na,,,,,,TVCXTRSVWGUSPY-UHFFFAOYSA-L,,,,,,,,,,,
100.027.734,230-506-9,7154-55-4,2-cyano-3-ethoxyacrylamide,2-cyano-3-ethoxyacrylamide,CCO\\C=C(\\C#N)/C(=O)N,CCO\C=C(\C#N)/C(=O)N,"InChI=1/C6H8N2O2/c1-2-10-4-5(3-7)6(8)9/h4H,2H2,1H3,(H2,8,9)",C6H8N2O2,,,,,,ZLVJIUUJDJDJQG-PLNGDYQASA-N,,,,,,,,,,,
100.024.489,226-937-7,5563-89-3,"O-(4-hydroxyphenyl)-3,5-diiodo-D-tyrosine","O-(4-hydroxyphenyl)-3,5-diiodotyrosine",N[C@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O,N[C@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O,"InChI=1/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)",C15H13I2NO4,,,,,,ZHSOTLOTTDYIIK-CYBMUJFWSA-N,,,,,,,,,,,
100.024.495,226-944-5,5570-78-5,1-isopropylpiperidin-4-ol,1-isopropylpiperidin-4-ol,CC(C)N1CCC(O)CC1,CC(C)N1CCC(O)CC1,"InChI=1/C8H17NO/c1-7(2)9-5-3-8(10)4-6-9/h7-8,10H,3-6H2,1-2H3",C8H17NO,,,,,,UZRXHHMTKCJKTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.498,226-947-1,5574-97-0,Tetrabutylammonium dihydrogen phosphate,"N,N,N-tributylbutan-1-aminium dihydrogen phosphate",CCCC[N+](CCCC)(CCCC)CCCC.[O-]P(=O)([O-])[O-],CCCC[N+](CCCC)(CCCC)CCCC.[O-]P(=O)([O-])[O-],"InChI=1/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C16H36N.H2O4P,,,,,,ARRNBPCNZJXHRJ-UHFFFAOYSA-K,,,,,,,,,,,
100.026.130,228-743-8,6343-81-3,"2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide",OCCN1C(=O)c2ccccc2S1(=O)=O,OCCN1C(=O)c2ccccc2S1(=O)=O,"InChI=1/C9H9NO4S/c11-6-5-10-9(12)7-3-1-2-4-8(7)15(10,13)14/h1-4,11H,5-6H2",C9H9NO4S,,,,,,CJWAPCSQEWUZAE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.136,228-750-6,6345-58-0,"2,2'-(2,2,2-trichloroethylidene)dithiophene","2,2'-(2,2,2-trichloroethane-1,1-diyl)dithiophene",ClC(Cl)(Cl)C(c1cccs1)c2cccs2,ClC(Cl)(Cl)C(c1cccs1)c2cccs2,"InChI=1/C10H7Cl3S2/c11-10(12,13)9(7-3-1-5-14-7)8-4-2-6-15-8/h1-6,9H",C10H7Cl3S2,,,,,,JYGAGLPBYNQOEE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.137,228-751-1,6345-63-7,2-nitrobenzylidene di(acetate),(2-nitrophenyl)methylene diacetate,CC(=O)OC(OC(=O)C)c1ccccc1N(=O)=O,CC(=O)OC(OC(=O)C)c1ccccc1N(=O)=O,"InChI=1/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-5-3-4-6-10(9)12(15)16/h3-6,11H,1-2H3",C11H11NO6,,,,,,PMZHONATLZBKIL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.139,228-753-2,4/09/6346,"4,4-diethoxybutylamine","4,4-diethoxybutan-1-amine",CCOC(CCCN)OCC,CCOC(CCCN)OCC,"InChI=1/C8H19NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3",C8H19NO2,,,,,,GFLPSABXBDCMCN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.141,228-755-3,6/10/6351,Indan-1-ol,indan-1-ol,OC1CCc2ccccc12,OC1CCc2ccccc12,"InChI=1/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2",C9H10O,,,,,,YIAPLDFPUUJILH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.146,228-761-6,3/08/6358,2-amino-4-chloro-6-nitrophenol,2-amino-4-chloro-6-nitrophenol,Nc1cc(Cl)cc(c1O)[N+](=O)[O-],Nc1cc(Cl)cc(c1O)[N+](=O)[O-],"InChI=1/C6H5ClN2O3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H,8H2",C6H5ClN2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10443,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.146,MHAFRUMLQZZSIN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.977,209-872-9,595-90-4,Tetraphenyltin,tetraphenylstannane,c1ccc(cc1)[Sn](c2ccccc2)(c3ccccc3)c4ccccc4,c1ccc(cc1)[Sn](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/4C6H5.Sn/c4*1-2-4-6-5-3-1;/h4*1-5H;/rC24H20Sn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C24H20Sn,,,,,,CRHIAMBJMSSNNM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.978,209-873-4,595-91-5,Triphenylacetic acid,triphenylacetic acid,OC(=O)C(c1ccccc1)(c2ccccc2)c3ccccc3,OC(=O)C(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)",C20H16O2,,,,,,DCYGAPKNVCQNOE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.982,209-878-1,596-15-6,Morphine acetate,"17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol acetate (salt)",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.CC(=O)O,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.CC(=O)O,"InChI=1/C17H19NO3.C2H4O2/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-2(3)4/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H3,(H,3,4)",C17H19NO3.C2H4O2,,,,,,CLDOGJORCNORLA-VYKNHSEDSA-N,,,,,,,,,,,
100.008.984,209-880-2,596-24-7,"Spiro(isobenzofuran-1(3H),9'-xanthen)-3-one","3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",O=C1OC2(c3ccccc3Oc4ccccc24)c5ccccc15,O=C1OC2(c3ccccc3Oc4ccccc24)c5ccccc15,InChI=1/C20H12O3/c21-19-13-7-1-2-8-14(13)20(23-19)15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)20/h1-12H,C20H12O3,,,,,,FWQHNLCNFPYBCA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.988,209-884-4,596-43-0,"2-bromo-1,1,1-triphenylethane","1,1',1''-(2-bromoethane-1,1,1-triyl)tribenzene",BrCC(c1ccccc1)(c2ccccc2)c3ccccc3,BrCC(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H17Br/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2",C19H15Br,,,,,,ULRMLPSSNIAVTP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.310,206-939-4,402-31-3,"a,a,a,ß,ß,ß-hexafluoro-m-xylene","1,3-bis(trifluoromethyl)benzene",FC(F)(F)c1cccc(c1)C(F)(F)F,FC(F)(F)c1cccc(c1)C(F)(F)F,"InChI=1/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H",C8H4F6,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6135,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.310,SJBBXFLOLUTGCW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.318,206-948-3,402-54-0,"4-nitro-a,a,a-trifluorotoluene",1-nitro-4-(trifluoromethyl)benzene,[O-][N+](=O)c1ccc(cc1)C(F)(F)F,[O-][N+](=O)c1ccc(cc1)C(F)(F)F,"InChI=1/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H",C7H4F3NO2,,,,,,XKYLCLMYQDFGKO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.324,206-955-1,403-29-2,2-bromo-1-(4-fluorophenyl)ethan-1-one,2-bromo-1-(4-fluorophenyl)ethanone,Fc1ccc(cc1)C(=O)CBr,Fc1ccc(cc1)C(=O)CBr,"InChI=1/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",C8H6BrFO,,,,,,ZJFWCELATJMDNO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.333,206-965-6,404-24-0,"2,2,2-trifluoro-N-phenylacetamide","2,2,2-trifluoro-N-phenylacetamide",FC(F)(F)C(=O)Nc1ccccc1,FC(F)(F)C(=O)Nc1ccccc1,"InChI=1/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)",C8H6F3NO,,,,,,SAPQIENQEZURNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.339,206-971-9,405-39-0,"N2,N6-dibenzyloxycarbonyl-L-lysine","N~2~,N~6~-bis[(benzyloxy)carbonyl]-L-lysine",OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C22H26N2O6/c25-20(26)19(24-22(28)30-16-18-11-5-2-6-12-18)13-7-8-14-23-21(27)29-15-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,26)",C22H26N2O6,,,,,,BLZXFNUZFTZCFD-IBGZPJMESA-N,,,,,,,,,,,
100.006.341,206-974-5,405-79-8,4-fluorophenoxyacetic acid,(4-fluorophenoxy)acetic acid,OC(=O)COc1ccc(F)cc1,OC(=O)COc1ccc(F)cc1,"InChI=1/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7FO3,,,,,,ZBIULCVFFJJYTN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.342,206-975-0,405-99-2,4-fluorostyrene,1-fluoro-4-vinylbenzene,Fc1ccc(C=C)cc1,Fc1ccc(C=C)cc1,"InChI=1/C8H7F/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2",C8H7F,,,,,,JWVTWJNGILGLAT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.347,206-980-8,407-22-7,2-fluoro-6-methylpyridine,2-fluoro-6-methylpyridine,Cc1cccc(F)n1,Cc1cccc(F)n1,"InChI=1/C6H6FN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3",C6H6FN,,,,,,UDMNVTJFUISBFD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.348,206-981-3,407-24-9,"2,2,2-trifluoro-N-(trifluoroacetyl)acetamide","2,2,2-trifluoro-N-(trifluoroacetyl)acetamide",FC(F)(F)C(=O)NC(=O)C(F)(F)F,FC(F)(F)C(=O)NC(=O)C(F)(F)F,"InChI=1/C4HF6NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h(H,11,12,13)",C4HF6NO2,,,,,,GMQVFHZSXKJCIV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.353,206-987-6,407-47-6,"2,2,2-trifluoroethyl acrylate","2,2,2-trifluoroethyl acrylate",FC(F)(F)COC(=O)C=C,FC(F)(F)COC(=O)C=C,"InChI=1/C5H5F3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2",C5H5F3O2,,,,,,VBHXIMACZBQHPX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.355,206-989-7,408-38-8,1-fluorohexadecane,1-fluorohexadecane,CCCCCCCCCCCCCCCCF,CCCCCCCCCCCCCCCCF,"InChI=1/C16H33F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3",C16H33F,,,,,,SVDDGAXOOORGGW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.362,206-997-0,420-56-4,Fluorotrimethylsilane,fluoro(trimethyl)silane,C[Si](C)(C)F,C[Si](C)(C)F,"InChI=1/C3H9FSi/c1-5(2,3)4/h1-3H3",C3H9FSi,,,,,,CTIKAHQFRQTTAY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.283,210-210-6,610-17-3,"N,N-dimethyl-2-nitroaniline","N,N-dimethyl-2-nitroaniline",CN(C)c1ccccc1[N+](=O)[O-],CN(C)c1ccccc1[N+](=O)[O-],"InChI=1/C8H10N2O2/c1-9(2)7-5-3-4-6-8(7)10(11)12/h3-6H,1-2H3",C8H10N2O2,,,,,,NPZDNLCYFLDJFA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.287,210-214-8,610-25-3,"2,4,5-trinitrotoluene","1-methyl-2,4,5-trinitrobenzene",Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H5N3O6/c1-4-2-6(9(13)14)7(10(15)16)3-5(4)8(11)12/h2-3H,1H3",C7H5N3O6,,,,,,FZJGZCSVWGKDAK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.294,210-222-1,610-39-9,"3,4-dinitrotoluene","4-methyl-1,2-dinitrobenzene",Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3",C7H6N2O4,,,,,,INYDMNPNDHRJQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.296,210-224-2,610-48-0,1-methylanthracene,1-methylanthracene,Cc1cccc2cc3ccccc3cc12,Cc1cccc2cc3ccccc3cc12,"InChI=1/C15H12/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-10H,1H3",C15H12,,,,,,KZNJSFHJUQDYHE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.298,210-226-3,610-51-5,4-methylacridine,4-methylacridine,Cc1cccc2cc3ccccc3nc12,Cc1cccc2cc3ccccc3nc12,"InChI=1/C14H11N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)15-14(10)12/h2-9H,1H3",C14H11N,,,,,,SKLZCRNUJKGGRW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.531,208-282-9,520-03-6,N-phenylphthalimide,"2-phenyl-1H-isoindole-1,3(2H)-dione",O=C1N(C(=O)c2ccccc12)c3ccccc3,O=C1N(C(=O)c2ccccc12)c3ccccc3,InChI=1/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H,C14H9NO2,,,,,,MFUPLJQNEXUUDW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.532,208-283-4,520-07-0,Phenazone salicylate,"2-hydroxybenzoic acid - 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1:1)",CN1N(C(=O)C=C1C)c2ccccc2.OC(=O)c3ccccc3O,CN1N(C(=O)C=C1C)c2ccccc2.OC(=O)c3ccccc3O,"InChI=1/C11H12N2O.C7H6O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;8-6-4-2-1-3-5(6)7(9)10/h3-8H,1-2H3;1-4,8H,(H,9,10)",C11H12N2O.C7H6O3,,,,,,WQAQKERCWPUIMH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.537,208-289-7,520-27-4,Diosmin,5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside,COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2,COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2,"InChI=1/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3",C28H32O15,,,,,,GZSOSUNBTXMUFQ-YFAPSIMESA-N,,,,,,,,,,,
100.007.543,208-296-5,520-53-6,3-[2-(dimethylamino)ethyl]-1H-indol-4-ol,3-[2-(dimethylamino)ethyl]-1H-indol-4-ol,CN(C)CCc1c[nH]c2cccc(O)c12,CN(C)CCc1c[nH]c2cccc(O)c12,"InChI=1/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3",C12H16N2O,,,,,,SPCIYGNTAMCTRO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.544,208-297-0,520-77-4,"3-ethyl-5,5-dimethyloxazolidine-2,4-dione","3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione",CCN1C(=O)OC(C)(C)C1=O,CCN1C(=O)OC(C)(C)C1=O,"InChI=1/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3",C7H11NO3,,,,,,SIGSNYAYBSJATD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.545,208-298-6,520-85-4,Medroxyprogesterone,"17-hydroxy-6-methylpregn-4-ene-3,20-dione",C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)C)[C@@]4(C)CCC(=O)C=C14,C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)C)[C@@]4(C)CCC(=O)C=C14,"InChI=1/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3",C22H32O3,,,,,,FRQMUZJSZHZSGN-HBNHAYAOSA-N,Positive,SM873901,[M+H]+,HCD35,345.2424:123.0804:97.0648,CASMI_2016,,,,,
100.007.546,208-299-1,520-86-5,"(20R)-5a-pregnane-3ß,17,20-triol","pregnane-3,17,20-triol",C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3",C21H36O3,,,,,,SCPADBBISMMJAW-IPNMKUGPSA-N,,,,,,,,,,,
100.007.547,208-300-5,521-04-0,"Stigmasta-5,7-dien-3-ß-ol, not irradiated","stigmasta-5,7-dien-3-ol",CCC(CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,CCC(CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3",C29H48O,,,,,,ARVGMISWLZPBCH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.555,208-308-9,521-24-4,"Sodium 3,4-dioxonaphthalene-1-sulphonate","sodium 3,4-dioxo-3,4-dihydronaphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,[Na+].[O-]S(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,"InChI=1/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1",C10H6O5S.Na,,,,,,UBLXEEBHYISRFM-UHFFFAOYSA-M,,,,,,,,,,,
100.007.565,208-319-9,521-88-0,"3-methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one","3-methoxy-2-phenyl-4H-furo[2,3-h]chromen-4-one",COC1=C(Oc2c(ccc3occc23)C1=O)c4ccccc4,COC1=C(Oc2c(ccc3occc23)C1=O)c4ccccc4,"InChI=1/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3",C18H12O4,,,,,,LKPQNZRGGNOPPU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.389,207-026-3,423-50-7,Perfluorohexanesulphonyl fluoride,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluoride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22",C6F14O2S,,,,,,HSDJWNJDPDJOEV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.391,207-028-4,423-55-2,1-bromoheptadecafluorooctane,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,"InChI=1/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26",C8BrF17,,,,,,WTWWXOGTJWMJHI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.392,207-030-5,423-62-1,Henicosafluoro-10-iododecane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-iododecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C10F21I/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32",C10F21I,,,,,,UDWBMXSQHOHKOI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.398,207-036-8,424-64-6,"2,2,3,3,4,4,4-heptafluorobutyl acrylate","2,2,3,3,4,4,4-heptafluorobutyl acrylate",FC(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C7H5F7O2/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2",C7H5F7O2,,,,,,PLXOUIVCSUBZIX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.402,207-041-5,426-13-1,Fluorometholone,"9-fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione",CC(=O)[C@@]4(O)CC[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\\C(=O)/C=C3/[C@@H](C)C[C@@H]12,CC(=O)[C@@]4(O)CC[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/[C@@H](C)C[C@@H]12,"InChI=1/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3",C22H29FO4,,,,,,FAOZLTXFLGPHNG-KNAQIMQKSA-N,,,,,,,,,,,
100.006.405,207-044-1,426-79-9,Tetraphenylphosphonium tetrafluoroborate,tetraphenylphosphonium tetrafluoroborate,F[B-](F)(F)F.c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,F[B-](F)(F)F.c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20P.BF4/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3,4)5/h1-20H;/q+1;-1",C24H20P.BF4,,,,,,MAJBFAYVSDYMQG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.408,207-047-8,427-49-6,Cyclopentylphenylglycolic acid,cyclopentyl(hydroxy)phenylacetic acid,OC(=O)C(O)(C1CCCC1)c2ccccc2,OC(=O)C(O)(C1CCCC1)c2ccccc2,"InChI=1/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)",C13H16O3,,,,,,WFLUEQCOAQCQLP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.409,207-048-3,427-51-0,"6-chloro-1-ß,2-ß-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione 17-acetate","1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3",C24H29ClO4,,,,,,UWFYSQMTEOIJJG-FDTZYFLXSA-N,,,,,,,,,,,
100.009.791,210-769-6,623-08-5,N-methyl-p-toluidine,"N,4-dimethylaniline",CNc1ccc(C)cc1,CNc1ccc(C)cc1,"InChI=1/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3",C8H11N,,,,,,QCIFLGSATTWUQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.795,210-773-8,623-13-2,Methyl p-tolyl sulphide,1-methyl-4-(methylsulfanyl)benzene,CSc1ccc(C)cc1,CSc1ccc(C)cc1,"InChI=1/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",C8H10S,,,,,,VHILIAIEEYLJNA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.806,210-785-3,623-30-3,3-(2-furyl)acrylaldehyde,3-(2-furyl)acrylaldehyde,O=C\\C=C\\c1occc1,O=C\C=C\c1occc1,InChI=1/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H,C7H6O2,,,,,,VZIRCHXYMBFNFD-HNQUOIGGSA-N,,,,,,,,,,,
100.009.807,210-786-9,623-32-5,Ethyl 13-(cyclopent-2-enyl)tridecanoate,ethyl 13-cyclopent-2-en-1-yltridecanoate,CCOC(=O)CCCCCCCCCCCCC1CCC=C1,CCOC(=O)CCCCCCCCCCCCC1CCC=C1,"InChI=1/C20H36O2/c1-2-22-20(21)18-12-10-8-6-4-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,2-12,14-15,17-18H2,1H3",C20H36O2,,,,,,FDGHZUQYDACRTA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.809,210-789-5,623-36-9,2-methylpent-2-enal,2-methylpent-2-enal,CC(=CCC)C=O,CC(=CCC)C=O,"InChI=1/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3",C6H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19108,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.809,IDEYZABHVQLHAF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.810,210-790-0,623-37-0,Hexan-3-ol,hexan-3-ol,CCCC(O)CC,CCCC(O)CC,"InChI=1/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3",C6H14O,,,,,,ZOCHHNOQQHDWHG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.819,210-800-3,623-51-8,Ethyl mercaptoacetate,ethyl sulfanylacetate,CCOC(=O)CS,CCOC(=O)CS,"InChI=1/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3",C4H8O2S,,,,,,PVBRSNZAOAJRKO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.829,210-811-3,623-76-7,"1,3-diethylurea","1,3-diethylurea",CCNC(=O)NCC,CCNC(=O)NCC,"InChI=1/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)",C5H12N2O,,,,,,ZWAVGZYKJNOTPX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.832,210-815-5,623-81-4,Diethyl sulphite,diethyl sulfite,CCOS(=O)OCC,CCOS(=O)OCC,"InChI=1/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3",C4H10O3S,,,,,,NVJBFARDFTXOTO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.151,228-766-3,6358-29-8,"Disodium 8-[[4'-[(4-ethoxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonate","disodium 8-({4'-[(4-ethoxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].CCOc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].CCOc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,"InChI=1/C32H28N4O8S2.2Na/c1-4-44-25-10-8-24(9-11-25)33-34-27-12-5-21(15-19(27)2)22-6-13-28(20(3)16-22)35-36-32-29(37)14-7-23-17-26(45(38,39)40)18-30(31(23)32)46(41,42)43;;/h5-18,37H,4H2,1-3H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C32H28N4O8S2.2Na,,,,,,SLZCDQVDTBWJND-UHFFFAOYSA-L,,,,,,,,,,,
100.026.152,228-767-9,6358-30-1,"8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-b:3',2'-m]triphenodioxazine","8,18-dichloro-5,15-diethyl-5,15-dihydrocarbazolo[3',2':5,6][1,4]oxazino[2,3-b]indolo[2,3-i]phenoxazine",CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9ccccc9n8CC)Cl,CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9ccccc9n8CC)Cl,"InChI=1/C34H22Cl2N4O2/c1-3-39-23-11-7-5-9-17(23)19-13-21-27(15-25(19)39)41-33-29(35)32-34(30(36)31(33)37-21)42-28-16-26-20(14-22(28)38-32)18-10-6-8-12-24(18)40(26)4-2/h5-16H,3-4H2,1-2H3",C34H22Cl2N4O2,,,,,,CGLVZFOCZLHKOH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.159,228-775-2,6358-48-1,"4-[(2,5-dichlorophenyl)azo]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide","4-[(2,5-dichlorophenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxy-2-naphthamide",Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OCC)c2O,Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OCC)c2O,"InChI=1/C25H19Cl2N3O3/c1-2-33-22-10-6-5-9-20(22)28-25(32)18-13-15-7-3-4-8-17(15)23(24(18)31)30-29-21-14-16(26)11-12-19(21)27/h3-14,31H,2H2,1H3,(H,28,32)",C25H19Cl2N3O3,,,,,,UVVPXDIKEOWIMC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.314,230-045-3,6924-68-1,Ethyl pyrazinecarboxylate,ethyl pyrazine-2-carboxylate,CCOC(=O)c1cnccn1,CCOC(=O)c1cnccn1,"InChI=1/C7H8N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h3-5H,2H2,1H3",C7H8N2O2,,,,,,SZYQPTAROQANMV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.316,230-047-4,6925-48-0,p-[(p-aminophenyl)azo]benzoic acid,4-[(4-aminophenyl)diazenyl]benzoic acid,OC(=O)c2ccc(N=Nc1ccc(N)cc1)cc2,OC(=O)c2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C13H11N3O2/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17)18/h1-8H,14H2,(H,17,18)",C13H11N3O2,,,,,,KJNBDJZDRNLJJG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.318,230-050-0,5/08/6926,"[1S-(1a,4aa,5a,7a,7aa)]-1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta[c]pyran-1-yl ß-D-glucopyranoside","4a,5,7-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl hexopyranoside",CC1(O)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,CC1(O)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,"InChI=1/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3",C15H24O10,,,,,,XUWSHXDEJOOIND-UHFFFAOYSA-N,,,,,,,,,,,
100.027.319,230-051-6,6926-73-4,Bis(diethoxythiophosphinoyl) trisulphide,"O,O-diethyl [(diethoxyphosphorothioyl)trisulfanyl]phosphonothioate",CCOP(=S)(OCC)SSSP(=S)(OCC)OCC,CCOP(=S)(OCC)SSSP(=S)(OCC)OCC,"InChI=1/C8H20O4P2S5/c1-5-9-13(15,10-6-2)17-19-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3",C8H20O4P2S5,,,,,,IQEAJQZWSFSIDF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.322,230-054-2,4/08/6929,Undecan-3-ol,undecan-3-ol,CCCCCCCCC(O)CC,CCCCCCCCC(O)CC,"InChI=1/C11H24O/c1-3-5-6-7-8-9-10-11(12)4-2/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,HCARCYFXWDRVBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.329,230-062-6,6936-48-7,(N-methylcarboxamido)propenoic acid,4-(methylamino)-4-oxobut-2-enoic acid,CNC(=O)C=CC(=O)O,CNC(=O)C=CC(=O)O,"InChI=1/C5H7NO3/c1-6-4(7)2-3-5(8)9/h2-3H,1H3,(H,6,7)(H,8,9)",C5H7NO3,,,,,,DFQUBYCHLQAFOW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.334,230-067-3,6938-33-6,Propyl 3-(3-furyl)acrylate,propyl 3-(3-furyl)acrylate,CCCOC(=O)\\C=C\\c1cocc1,CCCOC(=O)\C=C\c1cocc1,"InChI=1/C10H12O3/c1-2-6-13-10(11)4-3-9-5-7-12-8-9/h3-5,7-8H,2,6H2,1H3",C10H12O3,,,,,,NKJKUMDOQWJRSH-ONEGZZNKSA-N,,,,,,,,,,,
100.027.339,230-073-6,6939-35-1,"3,4-dihydro-5-methylnaphthalen-1(2H)-one","5-methyl-3,4-dihydronaphthalen-1(2H)-one",Cc1cccc2C(=O)CCCc12,Cc1cccc2C(=O)CCCc12,"InChI=1/C11H12O/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h2,4,6H,3,5,7H2,1H3",C11H12O,,,,,,ZYBCYRGGMARDQI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.345,230-079-9,6939-95-3,3-chloro-a-methylbenzyl alcohol,1-(3-chlorophenyl)ethanol,CC(O)c1cccc(Cl)c1,CC(O)c1cccc(Cl)c1,"InChI=1/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3",C8H9ClO,,,,,,QYUQVBHGBPRDKN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.346,230-080-4,6/09/6940,Tetrahydrofurfuryl stearate,tetrahydrofuran-2-ylmethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC1CCCO1,CCCCCCCCCCCCCCCCCC(=O)OCC1CCCO1,"InChI=1/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(24)26-21-22-18-17-20-25-22/h22H,2-21H2,1H3",C23H44O3,,,,,,RYQKMSDUKYBZSD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.347,230-082-5,6940-46-1,(±)-N-(2-bromo-3-methyl-1-oxobutyl)-glycine,N-(2-bromo-3-methylbutanoyl)glycine,CC(C)C(Br)C(=O)NCC(=O)O,CC(C)C(Br)C(=O)NCC(=O)O,"InChI=1/C7H12BrNO3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3H2,1-2H3,(H,9,12)(H,10,11)",C7H12BrNO3,,,,,,JDPOKKNSGDLJEF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.354,230-089-3,6940-78-9,1-bromo-4-chlorobutane,1-bromo-4-chlorobutane,ClCCCCBr,ClCCCCBr,InChI=1/C4H8BrCl/c5-3-1-2-4-6/h1-4H2,C4H8BrCl,,,,,,NIDSRGCVYOEDFW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.732,210-704-1,621-76-1,"1,1',1''-[methylidynetris(oxy)]trispropane","1,1',1''-[methanetriyltris(oxy)]tripropane",CCCOC(OCCC)OCCC,CCCOC(OCCC)OCCC,"InChI=1/C10H22O3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h10H,4-9H2,1-3H3",C10H22O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11977,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.732,RWNXXQFJBALKAX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.741,210-714-6,621-91-0,"1,4-dibenzyloxybenzene","1,4-bis(benzyloxy)benzene",C(Oc1ccc(OCc2ccccc2)cc1)c3ccccc3,C(Oc1ccc(OCc2ccccc2)cc1)c3ccccc3,"InChI=1/C20H18O2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14H,15-16H2",C20H18O2,,,,,,DYULYMCXVSRUPB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.744,210-717-2,622-03-7,"1,5-diphenyl-3-thiocarbonohydrazide","N'',N'''-diphenylthiocarbonohydrazide",S=C(NNc1ccccc1)NNc2ccccc2,S=C(NNc1ccccc1)NNc2ccccc2,"InChI=1/C13H14N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)",C13H14N4S,,,,,,BNSNUHPJRKTRNT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.745,210-718-8,622-04-8,"1,3-diphenoxypropan-2-ol","1,3-diphenoxypropan-2-ol",OC(COc1ccccc1)COc2ccccc2,OC(COc1ccccc1)COc2ccccc2,"InChI=1/C15H16O3/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2",C15H16O3,,,,,,NKCVHIPHZCIEFC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.747,210-720-9,622-15-1,"N,N'-diphenylformamidine","N,N'-diphenylimidoformamide",N(=CNc1ccccc1)c2ccccc2,N(=CNc1ccccc1)c2ccccc2,"InChI=1/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)",C13H12N2,,,,,,ZQUVDXMUKIVNOW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.750,210-724-0,622-21-9,"1,9-diphenylnona-1,3,6,8-tetraen-5-one","1,9-diphenylnona-1,3,6,8-tetraen-5-one",O=C(C=CC=Cc1ccccc1)C=CC=Cc2ccccc2,O=C(C=CC=Cc1ccccc1)C=CC=Cc2ccccc2,InChI=1/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H,C21H18O,,,,,,RLJALOQFYHCJKG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.753,210-727-7,622-26-4,Piperidine-4-ethanol,2-piperidin-4-ylethanol,OCCC1CCNCC1,OCCC1CCNCC1,"InChI=1/C7H15NO/c9-6-3-7-1-4-8-5-2-7/h7-9H,1-6H2",C7H15NO,,,,,,LDSQQXKSEFZAPE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.760,210-735-0,622-44-6,N-(dichloromethylene)aniline,phenylcarbonimidic dichloride,ClC(=Nc1ccccc1)Cl,ClC(=Nc1ccccc1)Cl,InChI=1/C7H5Cl2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,C7H5Cl2N,,,,,,TTWWZVGVBRPHLE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.763,210-738-7,622-47-9,p-tolylacetic acid,(4-methylphenyl)acetic acid,Cc1ccc(CC(=O)O)cc1,Cc1ccc(CC(=O)O)cc1,"InChI=1/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O2,,,,,,GXXXUZIRGXYDFP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.770,210-746-0,622-60-6,4-methylphenetole,1-ethoxy-4-methylbenzene,CCOc1ccc(C)cc1,CCOc1ccc(C)cc1,"InChI=1/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",C9H12O,,,,,,WSWPHHNIHLTAHB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.771,210-747-6,622-61-7,1-chloro-4-ethoxybenzene,1-chloro-4-ethoxybenzene,CCOc1ccc(Cl)cc1,CCOc1ccc(Cl)cc1,"InChI=1/C8H9ClO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",C8H9ClO,,,,,,IXLSVQMYQRAMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.772,210-748-1,622-62-8,4-ethoxyphenol,4-ethoxyphenol,CCOc1ccc(O)cc1,CCOc1ccc(O)cc1,"InChI=1/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3",C8H10O2,,,,,,LKVFCSWBKOVHAH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.773,210-749-7,622-64-0,Bis(4-hydroxyphenethyldimethylammonium) sulphate,"bis[2-(4-hydroxyphenyl)-N,N-dimethylethanaminium] sulfate",C[NH+](C)CCc1ccc(O)cc1.C[NH+](C)CCc2ccc(O)cc2.[O-]S(=O)(=O)[O-],C[NH+](C)CCc1ccc(O)cc1.C[NH+](C)CCc2ccc(O)cc2.[O-]S(=O)(=O)[O-],"InChI=1/2C10H15NO.H2O4S/c2*1-11(2)8-7-9-3-5-10(12)6-4-9;1-5(2,3)4/h2*3-6,12H,7-8H2,1-2H3;(H2,1,2,3,4)",C10H15NO.1/2H2O4S,,,,,,PKCUSEDYJXJFJO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.779,210-756-5,622-85-5,Phenyl propyl ether,phenyl propyl ether,CCCOc1ccccc1,CCCOc1ccccc1,"InChI=1/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C9H12O,,,,,,DSNYFFJTZPIKFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.782,210-759-1,622-93-5,3-diethylaminopropan-1-ol,3-(diethylamino)propan-1-ol,CCN(CC)CCCO,CCN(CC)CCCO,"InChI=1/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3",C7H17NO,,,,,,WKCYFSZDBICRKL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.787,210-764-9,623-00-7,4-bromobenzonitrile,4-bromobenzonitrile,Brc1ccc(cc1)C#N,Brc1ccc(cc1)C#N,InChI=1/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,C7H4BrN,,,,,,HQSCPPCMBMFJJN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.026,208-828-6,542-81-4,2-chloroethyl methyl sulphide,1-chloro-2-(methylsulfanyl)ethane,CSCCCl,CSCCCl,"InChI=1/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3",C3H7ClS,,,,,,MYFKLQFBFSHBPA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.029,208-831-2,542-85-8,Ethyl isothiocyanate,isothiocyanatoethane,CCN=C=S,CCN=C=S,"InChI=1/C3H5NS/c1-2-4-3-5/h2H2,1H3",C3H5NS,,,,,,HBNYJWAFDZLWRS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.031,208-833-3,542-90-5,Ethyl thiocyanate,ethyl thiocyanate,CCSC#N,CCSC#N,"InChI=1/C3H5NS/c1-2-5-3-4/h2H2,1H3",C3H5NS,,,,,,WFCLYEAZTHWNEH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.032,208-834-9,542-91-6,Diethylsilane,diethylsilane,CC[SiH2]CC,CC[SiH2]CC,"InChI=1/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3",C4H12Si,,,,,,UCXUKTLCVSGCNR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.566,208-320-4,522-00-9,Profenamine,"N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine",CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13,CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13,"InChI=1/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3",C19H24N2S,,,,,,CDOZDBSBBXSXLB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.376,209-213-5,560-88-3,"Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl salicylate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl salicylate",CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)c3ccccc3O,CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)c3ccccc3O,"InChI=1/C17H22O3/c1-16(2)11-8-9-17(16,3)14(10-11)20-15(19)12-6-4-5-7-13(12)18/h4-7,11,14,18H,8-10H2,1-3H3",C17H22O3,,,,,,GAZVSNAEUUUDEK-FABXCBLPSA-N,,,,,,,,,,,
100.008.377,209-214-0,561-07-9,Delphinine,"8-acetoxy-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate",COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](C[C@@](OC(=O)C)([C@H]5[C@H]6OC(=O)c7ccccc7)[C@@H]([C@H](OC)[C@H]13)C4N(C)C2)OC,COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](C[C@@](OC(=O)C)([C@H]5[C@H]6OC(=O)c7ccccc7)[C@@H]([C@H](OC)[C@H]13)C4N(C)C2)OC,"InChI=1/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3",C33H45NO9,,,,,,REVYTWNGZDPRKE-UWZYQZSNSA-N,,,,,,,,,,,
100.008.382,209-219-8,561-43-3,Oxypyrronium bromide,"2-{[2-cyclohexyl(hydroxy)phenylacetoxy]methyl}-1,1-dimethylpyrrolidinium bromide",[Br-].C[N+]1(C)CCCC1COC(=O)C(O)(C2CCCCC2)c3ccccc3,[Br-].C[N+]1(C)CCCC1COC(=O)C(O)(C2CCCCC2)c3ccccc3,"InChI=1/C21H32NO3.BrH/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3,5-6,10-11,18-19,24H,4,7-9,12-16H2,1-2H3;1H/q+1;/p-1",C21H32NO3.Br,,,,,,SXGOKQARVJHRML-UHFFFAOYSA-M,,,,,,,,,,,
100.008.383,209-220-3,561-48-8,Norpipanone,"4,4-diphenyl-6-piperidin-1-ylhexan-3-one",CCC(=O)C(CCN1CCCCC1)(c2ccccc2)c3ccccc3,CCC(=O)C(CCN1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C23H29NO/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3",C23H29NO,,,,,,WCDSHELZWCOTMI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.388,209-226-6,561-94-4,Ergosine,"12'-hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman",CC(C)C[C@@H]1N2C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)O[C@@]2(O)[C@@H]7CCCN7C1=O,CC(C)C[C@@H]1N2C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)O[C@@]2(O)[C@@H]7CCCN7C1=O,"InChI=1/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)",C30H37N5O5,,,,,,NESVMZOPWPCFAU-ZPRCMDFASA-N,,,,,,,,,,,
100.008.398,209-237-6,562-79-8,Diammonium tetracyanoplatinate,diammonium tetrakis(cyano-kappaC)platinate(2-),[NH4+].[NH4+].N#C[Pt-2](C#N)(C#N)C#N,[NH4+].[NH4+].N#C[Pt-2](C#N)(C#N)C#N,"InChI=1/4CN.2H3N.Pt/c4*1-2;;;/h;;;;2*1H3;/p+2/rC4N4Pt.2H3N/c5-1-9(2-6,3-7)4-8;;/h;2*1H3/p+2",C4N4Pt.2H4N,,,,,,ZCMCQCFMNNSUIK-UHFFFAOYSA-P,,,,,,,,,,,
100.008.399,209-238-1,562-81-2,Barium tetracyanoplatinate,barium tetrakis(cyano-kappaC)platinate(2-),[Ba+2].N#C[Pt-2](C#N)(C#N)C#N,[Ba+2].N#C[Pt-2](C#N)(C#N)C#N,"InChI=1/4CN.Ba.Pt/c4*1-2;;/q;;;;+2;/rC4N4Pt.Ba/c5-1-9(2-6,3-7)4-8;/q;+2",C4N4Pt.Ba,,,,,,LJTWKWLUEKVEOE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.404,209-243-9,563-16-6,"3,3-dimethylhexane","3,3-dimethylhexane",CCCC(C)(C)CC,CCCC(C)(C)CC,"InChI=1/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3",C8H18,,,,,,KUMXLFIBWFCMOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.406,209-246-5,563-25-7,Dibutyldifluorostannane,dibutyl(difluoro)stannane,CCCC[Sn](F)(F)CCCC,CCCC[Sn](F)(F)CCCC,"InChI=1/2C4H9.2FH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2/rC8H18F2Sn/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3",C8H18F2Sn,,,,,,UTLYKVGGKZYRRQ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.408,209-248-6,563-43-9,Ethylaluminium dichloride,dichloro(ethyl)aluminum,CC[Al](Cl)Cl,CC[Al](Cl)Cl,"InChI=1/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2/rC2H5AlCl2/c1-2-3(4)5/h2H2,1H3",C2H5AlCl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13130,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.408,UAIZDWNSWGTKFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.415,209-255-4,563-67-7,Rubidium acetate,rubidium acetate,[Rb+].CC(=O)[O-],[Rb+].CC(=O)[O-],"InChI=1/C2H4O2.Rb/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4O2.Rb,,,,,,FOGKDYADEBOSPL-UHFFFAOYSA-M,,,,,,,,,,,
100.008.417,209-258-0,563-70-2,Bromonitromethane,bromo(nitro)methane,[O-][N+](=O)CBr,[O-][N+](=O)CBr,InChI=1/CH2BrNO2/c2-1-3(4)5/h1H2,CH2BrNO2,,,,,,DNPRVXJGNANVCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.420,209-261-7,563-76-8,2-bromopropionyl bromide,2-bromopropanoyl bromide,CC(Br)C(=O)Br,CC(Br)C(=O)Br,"InChI=1/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3",C3H4Br2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17088,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.420,ILLHORFDXDLILE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.421,209-262-2,563-78-0,"2,3-dimethylbut-1-ene","2,3-dimethylbut-1-ene",CC(C)C(=C)C,CC(C)C(=C)C,"InChI=1/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3",C6H12,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1598,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.421,OWWIWYDDISJUMY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.425,209-266-4,564-02-3,"2,2,3-trimethylpentane","2,2,3-trimethylpentane",CCC(C)C(C)(C)C,CCC(C)C(C)(C)C,"InChI=1/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3",C8H18,,,,,,XTDQDBVBDLYELW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.837,210-820-2,623-93-8,Nonan-5-ol,nonan-5-ol,CCCCC(O)CCCC,CCCCC(O)CCCC,"InChI=1/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,FCBBRODPXVPZAH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.840,210-823-9,623-97-2,Bis(2-chloroethyl) carbonate,bis(2-chloroethyl) carbonate,ClCCOC(=O)OCCCl,ClCCOC(=O)OCCCl,InChI=1/C5H8Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2,C5H8Cl2O3,,,,,,WQULVXNWEYLDJY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.842,210-826-5,624-03-3,"Ethane-1,2-diyl palmitate","ethane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC,"InChI=1/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-32-38-34(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C34H66O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12360,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.842,IKVCSHRLYCDSFD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.082,208-889-9,545-47-1,"Lup-20(29)-en-3-ol, (3ß)-",lup-20(29)-en-3-ol,CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12,CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12,"InChI=1/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3",C30H50O,,,,,,MQYXUWHLBZFQQO-QGTGJCAVSA-N,,,,,,,,,,,
100.008.087,208-895-1,545-91-5,Phenadoxone hydrochloride,"6-morpholin-4-yl-4,4-diphenylheptan-3-one hydrochloride",Cl.CCC(=O)C(CC(C)N1CCOCC1)(c2ccccc2)c3ccccc3,Cl.CCC(=O)C(CC(C)N1CCOCC1)(c2ccccc2)c3ccccc3,"InChI=1/C23H29NO2.ClH/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24;/h4-13,19H,3,14-18H2,1-2H3;1H",C23H29NO2.ClH,,,,,,QGUPBYVADAJUNT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.088,208-896-7,545-93-7,5-(2-bromoallyl)-5-isopropylbarbituric acid,"5-(2-bromoprop-2-en-1-yl)-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O,CC(C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O,"InChI=1/C10H13BrN2O3/c1-5(2)10(4-6(3)11)7(14)12-9(16)13-8(10)15/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16)",C10H13BrN2O3,,,,,,KTGWBBOJAGDSHN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.089,208-897-2,546-06-5,Conessine,"N,N-dimethylcon-5-enin-3-amine",C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C,C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C,"InChI=1/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3",C24H40N2,,,,,,GPLGAQQQNWMVMM-MYAJQUOBSA-N,,,,,,,,,,,
100.008.091,208-899-3,546-43-0,"[3aR-(3aa,5ß,8aß,9aa)]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one","5,8a-dimethyl-3-methylene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one",CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12,CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12,"InChI=1/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3",C15H20O2,,,,,,PXOYOCNNSUAQNS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.092,208-900-7,546-45-2,"2,4,6-trimethyl-2,4,6-triphenylcyclotrisiloxane","2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(O[Si](C)(O[Si](C)(O1)c2ccccc2)c3ccccc3)c4ccccc4,C[Si]1(O[Si](C)(O[Si](C)(O1)c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C21H24O3Si3/c1-25(19-13-7-4-8-14-19)22-26(2,20-15-9-5-10-16-20)24-27(3,23-25)21-17-11-6-12-18-21/h4-18H,1-3H3",C21H24O3Si3,,,,,,HAURRGANAANPSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.094,208-902-8,546-48-5,Pempidine hydrogen tartrate,"1,2,2,6,6-pentamethylpiperidine 2,3-dihydroxysuccinate (salt)",CN1C(C)(C)CCCC1(C)C.OC(C(O)C(=O)O)C(=O)O,CN1C(C)(C)CCCC1(C)C.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C10H21N.C4H6O6/c1-9(2)7-6-8-10(3,4)11(9)5;5-1(3(7)8)2(6)4(9)10/h6-8H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)",C10H21N.C4H6O6,,,,,,AAFNEINEQRQMTF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.095,208-903-3,546-49-6,"3,3,6-trimethylhepta-1,5-dien-4-one","3,3,6-trimethylhepta-1,5-dien-4-one",CC(=CC(=O)C(C)(C)C=C)C,CC(=CC(=O)C(C)(C)C=C)C,"InChI=1/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3",C10H16O,,,,,,OTYVBQZXUNBRTK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.112,208-922-7,547-44-4,Sulfacarbamide,4-amino-N-carbamoylbenzenesulfonamide,NC(=O)NS(=O)(=O)c1ccc(N)cc1,NC(=O)NS(=O)(=O)c1ccc(N)cc1,"InChI=1/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)",C7H9N3O3S,,,,,,WVAKABMNNSMCDK-UHFFFAOYSA-N,Positive,mzcloud:940,[M+H]+,HCD_Averaged,53.03859:65.03858:68.04948:66.04186:68.04948:80.04947:92.0495:108.0444:110.0600:156.01137:120.0556,HighChem,,,,,
100.008.117,208-927-4,547-61-5,"[1S-(1a,3a,5a)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol","6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol",CC1(C)C2CC(O)C(=C)C1C2,CC1(C)C2CC(O)C(=C)C1C2,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3",C10H16O,,,,,,LCYXQUJDODZYIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.120,208-931-6,547-65-9,Alpha-methylene-<U+03B3>-butyrolactone,3-methylenedihydrofuran-2(3H)-one,C=C1CCOC1=O,C=C1CCOC1=O,InChI=1/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2,C5H6O2,,,,,,GSLDEZOOOSBFGP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.123,208-934-2,547-68-2,Zinc oxalate,zinc oxalate,[Zn+2].[O-]C(=O)C(=O)[O-],[Zn+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Zn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Zn,,,,,,ZPEJZWGMHAKWNL-UHFFFAOYSA-L,,,,,,,,,,,
100.027.355,230-090-9,6940-82-5,4-chloro-<U+03B3>-methoxybenzenebutyronitrile,4-(4-chlorophenyl)-4-methoxybutanenitrile,COC(CCC#N)c1ccc(Cl)cc1,COC(CCC#N)c1ccc(Cl)cc1,"InChI=1/C11H12ClNO/c1-14-11(3-2-8-13)9-4-6-10(12)7-5-9/h4-7,11H,2-3H2,1H3",C11H12ClNO,,,,,,ZMRXUCHXDOGQTA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.356,230-091-4,6940-83-6,1-chloro-4-(3-chloro-1-ethoxypropyl)benzene,1-chloro-4-(3-chloro-1-ethoxypropyl)benzene,CCOC(CCCl)c1ccc(Cl)cc1,CCOC(CCCl)c1ccc(Cl)cc1,"InChI=1/C11H14Cl2O/c1-2-14-11(7-8-12)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8H2,1H3",C11H14Cl2O,,,,,,KRIHHRGWTCCRDL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.771,228-348-0,1/01/6234,5-tert-butyl 1-methyl L-glutamate hydrochloride,5-tert-butyl 1-methyl L-glutamate hydrochloride,Cl.COC(=O)[C@@H](N)CCC(=O)OC(C)(C)C,Cl.COC(=O)[C@@H](N)CCC(=O)OC(C)(C)C,"InChI=1/C10H19NO4.ClH/c1-10(2,3)15-8(12)6-5-7(11)9(13)14-4;/h7H,5-6,11H2,1-4H3;1H",C10H19NO4.ClH,,,,,,YIFPACFSZQWAQF-FJXQXJEOSA-N,,,,,,,,,,,
100.025.772,228-349-6,1/05/6236,Nifuroxime,5-nitro-2-furaldehyde oxime,O=[N+]([O-])c1ccc(C=NO)o1,O=[N+]([O-])c1ccc(C=NO)o1,"InChI=1/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H",C5H4N2O4,,,,,,PTBKFATYSVLSSD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.797,228-376-3,6252-73-9,"[1,2]benzisothiazolo[2,3,4-lma]benzo[h]quinoxalino[2,3-c]carbazole-11,16-dione 9,9-dioxide","9-thia-5,9a,16-triazanaphtho[2',3':4,5]pentaleno[2,1,6-def]tetraphene-10,15-dione 9,9-dioxide",O=C1c2ccccc2C(=O)c3c1c4c5nc6ccccc6nc5c7cccc8c7c4n3S8(=O)=O,O=C1c2ccccc2C(=O)c3c1c4c5nc6ccccc6nc5c7cccc8c7c4n3S8(=O)=O,"InChI=1/C26H11N3O4S/c30-25-12-6-1-2-7-13(12)26(31)24-20(25)19-22-21(27-15-9-3-4-10-16(15)28-22)14-8-5-11-17-18(14)23(19)29(24)34(17,32)33/h1-11H",C26H11N3O4S,,,,,,VAVINMPVFFDRLD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.799,228-378-4,6252-78-4,2-(2-oxo-2H-acenaphth-1-ylidene)benzo[b]thiophene-3(2H)-one,2-(2-oxoacenaphthylen-1(2H)-ylidene)-1-benzothiophen-3(2H)-one,O=C1C(=C2C(=O)c3cccc4cccc2c34)Sc5ccccc15,O=C1C(=C2C(=O)c3cccc4cccc2c34)Sc5ccccc15,InChI=1/C20H10O2S/c21-18-14-9-4-6-11-5-3-8-13(16(11)14)17(18)20-19(22)12-7-1-2-10-15(12)23-20/h1-10H,C20H10O2S,,,,,,UFLQLEHQELUPJU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.742,230-515-8,7166-19-0,(2-bromo-2-nitrovinyl)benzene,(2-bromo-2-nitrovinyl)benzene,[O-][N+](=O)\\C(=C\\c1ccccc1)\\Br,[O-][N+](=O)\C(=C\c1ccccc1)\Br,InChI=1/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H,C8H6BrNO2,,,,,,SKDNDVDHYMEGNJ-SOFGYWHQSA-N,,,,,,,,,,,
100.026.161,228-777-3,6358-51-6,"2,5-dimethoxy-4-(4-nitrophenylazo)aniline","2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]aniline",COc2cc(N)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)OC,COc2cc(N)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)OC,"InChI=1/C14H14N4O4/c1-21-13-8-12(14(22-2)7-11(13)15)17-16-9-3-5-10(6-4-9)18(19)20/h3-8H,15H2,1-2H3",C14H14N4O4,,,,,,KBJGBAOGDZOYIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.165,228-782-0,6358-64-1,"4-chloro-2,5-dimethoxyaniline","4-chloro-2,5-dimethoxyaniline",COc1cc(Cl)c(OC)cc1N,COc1cc(Cl)c(OC)cc1N,"InChI=1/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3",C8H10ClNO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6664,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.165,YGUFQYGSBVXPMC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.168,228-785-7,6358-82-3,"3,3'-[(2-methyl-m-phenylene)bis(azo)]bistoluene-2,6-diamine","4,4'-[(2-methyl-1,3-phenylene)didiazene-2,1-diyl]bis(2-methylbenzene-1,3-diamine)",Nc3ccc(N=Nc2cccc(N=Nc1ccc(N)c(C)c1N)c2C)c(N)c3C,Nc3ccc(N=Nc2cccc(N=Nc1ccc(N)c(C)c1N)c2C)c(N)c3C,"InChI=1/C21H24N8/c1-11-14(22)7-9-18(20(11)24)28-26-16-5-4-6-17(13(16)3)27-29-19-10-8-15(23)12(2)21(19)25/h4-10H,22-25H2,1-3H3",C21H24N8,,,,,,FGHBXSQNFCBRJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.169,228-786-2,6358-83-4,"4,4'-[(4-methoxy-1,3-phenylene)bis(azo)]bisbenzene-1,3-diamine","4,4'-[(4-methoxy-1,3-phenylene)didiazene-2,1-diyl]dibenzene-1,3-diamine",COc2ccc(cc2N=Nc1ccc(N)cc1N)N=Nc3ccc(N)cc3N,COc2ccc(cc2N=Nc1ccc(N)cc1N)N=Nc3ccc(N)cc3N,"InChI=1/C19H20N8O/c1-28-19-7-4-13(24-25-16-5-2-11(20)8-14(16)22)10-18(19)27-26-17-6-3-12(21)9-15(17)23/h2-10H,20-23H2,1H3",C19H20N8O,,,,,,GYSUSQZGUOGDNB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.171,228-788-3,6358-87-8,"Diethyl 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate]","diethyl 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate)",CCOC(=O)/C6=N/N(c1ccccc1)C(=O)C6N=Nc2ccc(cc2Cl)c5ccc(N=NC4\\C(=N/N(c3ccccc3)C4=O)C(=O)OCC)c(Cl)c5,CCOC(=O)/C6=N/N(c1ccccc1)C(=O)C6N=Nc2ccc(cc2Cl)c5ccc(N=NC4\C(=N/N(c3ccccc3)C4=O)C(=O)OCC)c(Cl)c5,"InChI=1/C36H28Cl2N8O6/c1-3-51-35(49)31-29(33(47)45(43-31)23-11-7-5-8-12-23)41-39-27-17-15-21(19-25(27)37)22-16-18-28(26(38)20-22)40-42-30-32(36(50)52-4-2)44-46(34(30)48)24-13-9-6-10-14-24/h5-20,29-30H,3-4H2,1-2H3",C36H28Cl2N8O6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11113,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.171,PLYDMIIYRWUYBP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.173,228-790-4,6358-90-3,"Diethyl 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate]","diethyl 4,4'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate)",CCOC(=O)/C6=N/N(c1ccccc1)C(=O)C6N=Nc2ccc(cc2OC)c5ccc(N=NC4\\C(=N/N(c3ccccc3)C4=O)C(=O)OCC)c(OC)c5,CCOC(=O)/C6=N/N(c1ccccc1)C(=O)C6N=Nc2ccc(cc2OC)c5ccc(N=NC4\C(=N/N(c3ccccc3)C4=O)C(=O)OCC)c(OC)c5,"InChI=1/C38H34N8O8/c1-5-53-37(49)33-31(35(47)45(43-33)25-13-9-7-10-14-25)41-39-27-19-17-23(21-29(27)51-3)24-18-20-28(30(22-24)52-4)40-42-32-34(38(50)54-6-2)44-46(36(32)48)26-15-11-8-12-16-26/h7-22,31-32H,5-6H2,1-4H3",C38H34N8O8,,,,,,XKVXTRFJPVNNQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.034,208-837-5,543-15-7,Heptaminol hydrochloride,6-amino-2-methylheptan-2-ol hydrochloride,Cl.CC(N)CCCC(C)(C)O,Cl.CC(N)CCCC(C)(C)O,"InChI=1/C8H19NO.ClH/c1-7(9)5-4-6-8(2,3)10;/h7,10H,4-6,9H2,1-3H3;1H",C8H19NO.ClH,,,,,,JZNBMCOSOXIZJB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.037,208-840-1,543-27-1,Isobutyl chloroformate,isobutyl chlorocarbonate,CC(C)COC(=O)Cl,CC(C)COC(=O)Cl,"InChI=1/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3",C5H9ClO2,,,,,,YOETUEMZNOLGDB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.040,208-843-8,543-39-5,2-methyl-6-methyleneoct-7-en-2-ol,2-methyl-6-methyleneoct-7-en-2-ol,CC(C)(O)CCCC(=C)C=C,CC(C)(O)CCCC(=C)C=C,"InChI=1/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3",C10H18O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10581,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.040,DUNCVNHORHNONW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.045,208-849-0,543-80-6,Barium di(acetate),barium diacetate,[Ba+2].CC(=O)[O-].CC(=O)[O-],[Ba+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Ba,,,,,,ITHZDDVSAWDQPZ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.046,208-850-6,543-81-7,Beryllium di(acetate),beryllium diacetate,[Be+2].CC(=O)[O-].CC(=O)[O-],[Be+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Be/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Be,,,,,,YUOUKRIPFJKDJY-UHFFFAOYSA-L,,,,,,,,,,,
100.008.047,208-851-1,543-82-8,Octodrine,6-methylheptan-2-amine,CC(C)CCCC(C)N,CC(C)CCCC(C)N,"InChI=1/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3",C8H19N,,,,,,QNIVIMYXGGFTAK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.056,208-861-6,544-13-8,Glutaronitrile,glutaronitrile,N#CCCCC#N,N#CCCCC#N,InChI=1/C5H6N2/c6-4-2-1-3-5-7/h1-3H2,C5H6N2,,,,,,ZTOMUSMDRMJOTH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.066,208-872-6,544-48-9,"(2E,4Z)-2,4-decadienoic acid","deca-2,4-dienoic acid",CCCCC\\C=C/C=C/C(=O)O,CCCCC\C=C/C=C/C(=O)O,"InChI=1/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)",C10H16O2,,,,,,YKHVVNDSWHSBPA-NMMTYZSQSA-N,,,,,,,,,,,
100.008.067,208-873-1,544-60-5,Ammonium oleate,ammonium octadec-9-enoate,[NH4+].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H3",C18H34O2.H3N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8261,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.067,WFXRJNDIBXZNJK-KVVVOXFISA-N,,,,,,,,,,,
100.008.071,208-877-3,544-73-0,"(9E,11E,13E)-9,11,13-octadecatrienoic acid","octadeca-9,11,13-trienoic acid",CCCC\\C=C\\C=C\\C=C\\CCCCCCCC(=O)O,CCCC\C=C\C=C\C=C\CCCCCCCC(=O)O,"InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)",C18H30O2,,,,,,CUXYLFPMQMFGPL-SUTYWZMXSA-N,,,,,,,,,,,
100.008.075,208-882-0,544-86-5,Hentricontan-1-ol,hentriacontan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C31H64O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h32H,2-31H2,1H3",C31H64O,,,,,,ROOBHHSRWJOKSH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.078,208-885-7,545-06-2,Trichloroacetonitrile,trichloroacetonitrile,ClC(Cl)(Cl)C#N,ClC(Cl)(Cl)C#N,"InChI=1/C2Cl3N/c3-2(4,5)1-6",C2Cl3N,,,,,,DRUIESSIVFYOMK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.001,209-899-6,597-43-3,"2,2-dimethylsuccinic acid","2,2-dimethylsuccinic acid",CC(C)(CC(=O)O)C(=O)O,CC(C)(CC(=O)O)C(=O)O,"InChI=1/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)",C6H10O4,,,,,,GOHPTLYPQCTZSE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.004,209-903-6,597-52-4,Triethylsilanol,triethylsilanol,CC[Si](O)(CC)CC,CC[Si](O)(CC)CC,"InChI=1/C6H16OSi/c1-4-8(7,5-2)6-3/h7H,4-6H2,1-3H3",C6H16OSi,,,,,,WVMSIBFANXCZKT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.005,209-904-1,597-59-1,Citramide,citramide,NC(=O)CC(O)(CC(=O)N)C(=O)N,NC(=O)CC(O)(CC(=O)N)C(=O)N,"InChI=1/C6H11N3O4/c7-3(10)1-6(13,5(9)12)2-4(8)11/h13H,1-2H2,(H2,7,10)(H2,8,11)(H2,9,12)",C6H11N3O4,,,,,,MPQPXMRGNQJXGO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.007,209-906-2,597-64-8,Tetraethyltin,tetraethylstannane,CC[Sn](CC)(CC)CC,CC[Sn](CC)(CC)CC,"InChI=1/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;/rC8H20Sn/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",C8H20Sn,,,,,,RWWNQEOPUOCKGR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.010,209-909-9,597-82-0,"O,O,O-triphenyl phosphorothioate","O,O,O-triphenyl thiophosphate",S=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,S=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,"InChI=1/C18H15O3PS/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H",C18H15O3PS,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13644,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.010,IKXFIBBKEARMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.011,209-910-4,597-96-6,3-methylhexan-3-ol,3-methylhexan-3-ol,CCCC(C)(O)CC,CCCC(C)(O)CC,"InChI=1/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3",C7H16O,,,,,,KYWJZCSJMOILIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.015,209-915-1,598-07-2,"3,7-dimethyl-1,7-octadien-3-ol","3,7-dimethylocta-1,7-dien-3-ol",CC(=C)CCCC(C)(O)C=C,CC(=C)CCCC(C)(O)C=C,"InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,11H,1-2,6-8H2,3-4H3",C10H18O,,,,,,GYJHTGZQPKPEOT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.020,209-920-9,598-16-3,Tribromoethylene,"1,1,2-tribromoethene",BrC=C(Br)Br,BrC=C(Br)Br,InChI=1/C2HBr3/c3-1-2(4)5/h1H,C2HBr3,,,,,,OZVJKTHTULCNHB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.440,209-283-7,565-62-8,3-methylpent-3-en-2-one,3-methylpent-3-en-2-one,CC(=CC)C(C)=O,CC(=CC)C(C)=O,"InChI=1/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3",C6H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13150,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.440,ZAMCMCQRTZKGDX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.450,209-294-7,565-80-0,"2,4-dimethylpentan-3-one","2,4-dimethylpentan-3-one",CC(C)C(=O)C(C)C,CC(C)C(=O)C(C)C,"InChI=1/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3",C7H14O,,,,,,HXVNBWAKAOHACI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.454,209-298-9,566-78-9,"3-ß,21-dihydroxypregn-5-en-20-one 21-acetate",3-hydroxy-20-oxopregn-5-en-21-yl acetate,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3",C23H34O4,,,,,,MDJRZSNPHZEMJH-MTMZYOSNSA-N,,,,,,,,,,,
100.008.455,209-299-4,566-93-8,"Cholesta-4,6-dien-3-one","cholesta-4,6-dien-3-one",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3",C27H42O,,,,,,XIWMRKFKSRYSIJ-GYKMGIIDSA-N,,,,,,,,,,,
100.008.456,209-300-8,567-02-2,"3a,21-dihydroxy-5a-pregnan-20-one","3,21-dihydroxypregnan-20-one",C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@H]23,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@H]23,"InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3",C21H34O3,,,,,,CYKYBWRSLLXBOW-GDYGHMJCSA-N,,,,,,,,,,,
100.008.457,209-301-3,567-03-3,"3a,21-dihydroxy-5ß-pregnan-20-one","3,21-dihydroxypregnan-20-one",C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@H]23,C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@H]23,"InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3",C21H34O3,,,,,,CYKYBWRSLLXBOW-DATPGIFZSA-N,,,,,,,,,,,
100.008.458,209-302-9,567-13-5,3-amino-4-hydroxynaphthalene-1-sulphonic acid,3-amino-4-hydroxynaphthalene-1-sulfonic acid,Nc1cc(c2ccccc2c1O)S(=O)(=O)O,Nc1cc(c2ccccc2c1O)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,YFGOOWJUPKTAPF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.460,209-305-5,567-72-6,"Cholesta-3,5-dien-7-one","cholesta-3,5-dien-7-one",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CCC=CC4=CC3=O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CCC=CC4=CC3=O,"InChI=1/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3",C27H42O,,,,,,TTXJJFWWNDJDNR-CZRUWHASSA-N,,,,,,,,,,,
100.008.463,209-308-1,568-01-4,"4,5-dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one","4,5-dimethoxy-11-methyl[1,3]dioxolo[4,5-c]acridin-6(11H)-one",COc1c(OC)c2C(=O)c3ccccc3N(C)c2c4OCOc14,COc1c(OC)c2C(=O)c3ccccc3N(C)c2c4OCOc14,"InChI=1/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15-17(23-8-22-15)16(21-3)14(11)20-2/h4-7H,8H2,1-3H3",C17H15NO5,,,,,,PEWWLIQAXYMMAN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.464,209-309-7,568-84-3,Methyldipropyl[2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]ammonium hydroxide,N-methyl-N-propyl-N-{2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl}propan-1-aminium hydroxide,[OH-].CCC[N+](C)(CCC)CCOC(=O)C1c2ccccc2Oc3ccccc13,[OH-].CCC[N+](C)(CCC)CCOC(=O)C1c2ccccc2Oc3ccccc13,"InChI=1/C23H30NO3.H2O/c1-4-14-24(3,15-5-2)16-17-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,22H,4-5,14-17H2,1-3H3;1H2/q+1;/p-1",C23H30NO3.HO,,,,,,OQBAQVHOUQXAEP-UHFFFAOYSA-M,,,,,,,,,,,
100.008.465,209-310-2,568-93-4,"1,2-dihydroxy-3-nitroanthraquinone","1,2-dihydroxy-3-nitro-9,10-anthraquinone",Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-],Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-],"InChI=1/C14H7NO6/c16-11-6-3-1-2-4-7(6)12(17)10-8(11)5-9(15(20)21)13(18)14(10)19/h1-5,18-19H",C14H7NO6,,,,,,XZSUEVFAMOKROK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.466,209-311-8,569-31-3,"6,7-dimethoxyphthalide","6,7-dimethoxy-2-benzofuran-1(3H)-one",COc1ccc2COC(=O)c2c1OC,COc1ccc2COC(=O)c2c1OC,"InChI=1/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3",C10H10O4,,,,,,ORFFGRQMMWVHIB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.472,209-318-6,569-57-3,Chlorotrianisene,"1,1',1''-(2-chloroethene-1,1,2-triyl)tris(4-methoxybenzene)",COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl,COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl,"InChI=1/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3",C23H21ClO3,,,,,,BFPSDSIWYFKGBC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.473,209-319-1,569-58-4,"Triammonium 5,5'-(3-carboxylato-4-oxocyclohexa-2,5-dienylidenemethylene)disalicylate","triammonium 3,3'-[(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoate)",[NH4+].[NH4+].[NH4+].Oc1ccc(cc1C(=O)[O-])C(=C2C=CC(=O)C(=C2)C(=O)[O-])c3ccc(O)c(c3)C(=O)[O-],[NH4+].[NH4+].[NH4+].Oc1ccc(cc1C(=O)[O-])C(=C2C=CC(=O)C(=C2)C(=O)[O-])c3ccc(O)c(c3)C(=O)[O-],"InChI=1/C22H14O9.3H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);3*1H3",C22H14O9.3H3N,,,,,,AIPNSHNRCQOTRI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.124,208-935-8,547-75-1,"3a,6a,7a-trihydroxy-5ß-cholan-24-oic acid","3,6,7-trihydroxycholan-24-oic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)",C24H40O5,,,,,,DKPMWHFRUGMUKF-KWXDGCAGSA-N,,,,,,,,,,,
100.007.251,207-975-3,503-74-2,Isovaleric acid,3-methylbutanoic acid,CC(C)CC(=O)O,CC(C)CC(=O)O,"InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",C5H10O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5729,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.251,GWYFCOCPABKNJV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.254,207-979-5,504-01-8,"Cyclohexane-1,3-diol","cyclohexane-1,3-diol",OC1CCCC(O)C1,OC1CCCC(O)C1,"InChI=1/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2",C6H12O2,,,,,,RLMGYIOTPQVQJR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.060,209-964-9,599-33-7,Prednylidene,"11,17,21-trihydroxy-16-methylenepregna-1,4-diene-3,20-dione",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(=C)[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(=C)[C@]2(O)C(=O)CO,"InChI=1/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3",C22H28O5,,,,,,WSVOMANDJDYYEY-CWNVBEKCSA-N,,,,,,,,,,,
100.009.061,209-965-4,599-54-2,"(±)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-ß-alanine","N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine",CC(C)(CO)C(O)C(=O)NCCC(=O)O,CC(C)(CO)C(O)C(=O)NCCC(=O)O,"InChI=1/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",C9H17NO5,,,,,,GHOKWGTUZJEAQD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.063,209-968-0,599-64-4,"4-(a,a-dimethylbenzyl)phenol",4-(1-methyl-1-phenylethyl)phenol,CC(C)(c1ccccc1)c2ccc(O)cc2,CC(C)(c1ccccc1)c2ccc(O)cc2,"InChI=1/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3",C15H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2159,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.063,QBDSZLJBMIMQRS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.074,209-980-6,600-00-0,Ethyl 2-bromo-2-methylpropionate,ethyl 2-bromo-2-methylpropanoate,CCOC(=O)C(C)(C)Br,CCOC(=O)C(C)(C)Br,"InChI=1/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3",C6H11BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13603,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.074,IOLQWGVDEFWYNP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.075,209-981-1,600-05-5,"2,3-dibromopropionic acid","2,3-dibromopropanoic acid",OC(=O)C(Br)CBr,OC(=O)C(Br)CBr,"InChI=1/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)",C3H4Br2O2,,,,,,ZMYAKSMZTVWUJB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.079,209-985-3,600-15-7,(±)-2-hydroxybutyric acid,2-hydroxybutanoic acid,CCC(O)C(=O)O,CCC(O)C(=O)O,"InChI=1/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)",C4H8O3,,,,,,AFENDNXGAFYKQO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.080,209-986-9,600-18-0,2-oxobutyric acid,2-oxobutanoic acid,CCC(=O)C(=O)O,CCC(=O)C(=O)O,"InChI=1/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)",C4H6O3,,,,,,TYEYBOSBBBHJIV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.083,209-990-0,600-25-9,1-chloro-1-nitropropane,1-chloro-1-nitropropane,CCC(Cl)[N+](=O)[O-],CCC(Cl)[N+](=O)[O-],"InChI=1/C3H6ClNO2/c1-2-3(4)5(6)7/h3H,2H2,1H3",C3H6ClNO2,,,,,,XEKUXTMJEFPWCG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.085,209-992-1,600-30-6,"2,3-dibromobutyric acid","2,3-dibromobutanoic acid",CC(Br)C(Br)C(=O)O,CC(Br)C(Br)C(=O)O,"InChI=1/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2-3H,1H3,(H,7,8)",C4H6Br2O2,,,,,,HESQKTULJLBDRF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.089,209-996-3,600-59-9,"3-ß-hydroxy-5-a-pregnane-11,20-dione","3-hydroxypregnane-11,20-dione",CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,"InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3",C21H32O3,,,,,,DUHUCHOQIDJXAT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.097,210-006-7,601-63-8,17ß-hydroxyestr-4-en-3-one 17-(3-cyclopentylpropionate),3-oxoestr-4-en-17-yl 3-cyclopentylpropanoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCC5CCCC5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCC5CCCC5,"InChI=1/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3",C26H38O3,,,,,,REWKEGSQGOSEES-FNKXXKKYSA-N,,,,,,,,,,,
100.009.102,210-011-4,601-97-8,3-hydroxyphthalic acid,3-hydroxyphthalic acid,OC(=O)c1cccc(O)c1C(=O)O,OC(=O)c1cccc(O)c1C(=O)O,"InChI=1/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",C8H6O5,,,,,,MNUOZFHYBCRUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.103,210-013-5,602-01-7,"2,3-dinitrotoluene","1-methyl-2,3-dinitrobenzene",Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3",C7H6N2O4,,,,,,DYSXLQBUUOPLBB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.106,210-016-1,602-38-0,"1,8-dinitronaphthalene","1,8-dinitronaphthalene",[O-][N+](=O)c1cccc2cccc(c12)[N+](=O)[O-],[O-][N+](=O)c1cccc2cccc(c12)[N+](=O)[O-],InChI=1/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,C10H6N2O4,,,,,,AVCSMMMOCOTIHF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.413,207-053-0,428-92-2,"2-chloro-1-(chloromethoxy)-1,1,2-trifluoroethane","2-chloro-1-(chloromethoxy)-1,1,2-trifluoroethane",FC(Cl)C(F)(F)OCCl,FC(Cl)C(F)(F)OCCl,"InChI=1/C3H3Cl2F3O/c4-1-9-3(7,8)2(5)6/h2H,1H2",C3H3Cl2F3O,,,,,,FAERCLVMZOAFPK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.175,228-793-0,3/05/6359,"Potassium ethyl o-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate","ethyl 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoate",CCOC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O)c(Br)cc24)Br,CCOC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O)c(Br)cc24)Br,"InChI=1/C22H12Br4O5/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26/h3-8,27H,2H2,1H3",C22H12Br4O5.K,,,,,,SQLYYENAJNILOX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.177,228-795-1,6359-22-4,"Hydrogen 9-(2,5-dicarboxylato-4-hydroxyphenyl)-3,6-bis(diethylamino)xanthylium","2-[3,6-bis(diethylamino)xanthenium-9-yl]-5-hydroxyterephthalate",CCN(CC)c1ccc2c(c3cc(C(=O)[O-])c(O)cc3C(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC,CCN(CC)c1ccc2c(c3cc(C(=O)[O-])c(O)cc3C(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC,"InChI=1/C29H30N2O6/c1-5-30(6-2)17-9-11-19-25(13-17)37-26-14-18(31(7-3)8-4)10-12-20(26)27(19)21-15-23(29(35)36)24(32)16-22(21)28(33)34/h9-16H,5-8H2,1-4H3,(H2-,32,33,34,35,36)/p-1",C29H30N2O6,,,,,,WOBHORUYSXFCCI-UHFFFAOYSA-L,,,,,,,,,,,
100.026.179,228-797-2,6359-29-1,"6'-(diethylamino)-3'-hydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2'-carboxylic acid","6'-(diethylamino)-3'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2'-carboxylic acid",CCN(CC)c1ccc2c(Oc3cc(O)c(cc3C24OC(=O)c5ccccc45)C(=O)O)c1,CCN(CC)c1ccc2c(Oc3cc(O)c(cc3C24OC(=O)c5ccccc45)C(=O)O)c1,"InChI=1/C25H21NO6/c1-3-26(4-2)14-9-10-18-21(11-14)31-22-13-20(27)16(23(28)29)12-19(22)25(18)17-8-6-5-7-15(17)24(30)32-25/h5-13,27H,3-4H2,1-2H3,(H,28,29)",C25H21NO6,,,,,,LJYFQGHCZXNILU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.185,228-803-3,6359-71-3,"Sodium 3-[(1-butyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolyl)azo]-5-chloro-2-hydroxybenzenesulphonate","sodium 3-[(1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(Cl)cc(N=N\\C2=C(/O)c1ccccc1N(CCCC)C2=O)c3O,[Na+].[O-]S(=O)(=O)c3cc(Cl)cc(N=N\C2=C(/O)c1ccccc1N(CCCC)C2=O)c3O,"InChI=1/C19H18ClN3O6S.Na/c1-2-3-8-23-14-7-5-4-6-12(14)17(24)16(19(23)26)22-21-13-9-11(20)10-15(18(13)25)30(27,28)29;/h4-7,9-10,24-25H,2-3,8H2,1H3,(H,27,28,29);/q;+1/p-1",C19H18ClN3O6S.Na,,,,,,CUGKFGMYCDBFKE-UHFFFAOYSA-M,,,,,,,,,,,
100.026.189,228-808-0,6359-82-6,Sodium 4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate,sodium 4-[5-hydroxy-3-methyl-4-(phenyldiazenyl)-1H-pyrazol-1-yl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)n3nc(C)c(N=Nc2ccccc2)c3O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)n3nc(C)c(N=Nc2ccccc2)c3O,"InChI=1/C16H14N4O4S.Na/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2-10,21H,1H3,(H,22,23,24);/q;+1/p-1",C16H14N4O4S.Na,,,,,,WUKOPYOUBRDMHY-UHFFFAOYSA-M,,,,,,,,,,,
100.026.192,228-811-7,6359-86-0,"Sodium p-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-{4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-][N+](=O)c3cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(O)cc3,[Na+].[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(O)cc3,"InChI=1/C16H13N5O7S.Na/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h2-8,15,22H,1H3,(H,26,27,28);/q;+1/p-1",C16H13N5O7S.Na,,,,,,JXOVBZBVMDRWSE-UHFFFAOYSA-M,,,,,,,,,,,
100.027.361,230-097-7,5/02/6942,"4,5-dihydro-2-tridecyl-1H-imidazole-1-ethanol","2-(2-tridecyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCCCCCCCC1=NCCN1CCO,CCCCCCCCCCCCCC1=NCCN1CCO,"InChI=1/C18H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18)16-17-21/h21H,2-17H2,1H3",C18H36N2O,,,,,,KUHILYGRHCIQJN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.362,230-098-2,6942-58-1,2-hydroxyethyl isobutyrate,2-hydroxyethyl 2-methylpropanoate,CC(C)C(=O)OCCO,CC(C)C(=O)OCCO,"InChI=1/C6H12O3/c1-5(2)6(8)9-4-3-7/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,BEKXVQRVZUYDLK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.368,230-104-3,6945-92-2,Ethyl hydrazinoacetate hydrochloride,ethyl hydrazinoacetate hydrochloride,Cl.CCOC(=O)CNN,Cl.CCOC(=O)CNN,"InChI=1/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H",C4H10N2O2.ClH,,,,,,HZZRIIPYFPIKHR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.373,230-110-6,6946-84-5,Diisopropyl azelate,diisopropyl azelaate,CC(C)OC(=O)CCCCCCCC(=O)OC(C)C,CC(C)OC(=O)CCCCCCCC(=O)OC(C)C,"InChI=1/C15H28O4/c1-12(2)18-14(16)10-8-6-5-7-9-11-15(17)19-13(3)4/h12-13H,5-11H2,1-4H3",C15H28O4,,,,,,MCQNUBHLBYBDRS-UHFFFAOYSA-N,,,,,,,,,,,
100.029.003,231-904-5,7778-44-1,Calcium arsenate,calcium arsenate,[Ca+2].[Ca+2].[Ca+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],[Ca+2].[Ca+2].[Ca+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],"InChI=1/2AsH3O4.3Ca/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",AsH3O4.3/2Ca,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12244,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.003,RMBBSOLAGVEUSI-UHFFFAOYSA-H,,,,,,,,,,,
100.029.014,231-916-0,7778-83-8,Propyl cinnamate,propyl 3-phenylacrylate,CCCOC(=O)\\C=C\\c1ccccc1,CCCOC(=O)\C=C\c1ccccc1,"InChI=1/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3",C12H14O2,,,,,,OLLPXZHNCXACMM-CMDGGOBGSA-N,,,,,,,,,,,
100.029.026,231-929-1,7779-50-2,Oxacycloheptadec-7-en-2-one,oxacycloheptadec-7-en-2-one,O=C1CCCC\\C=C\\CCCCCCCCCO1,O=C1CCCC\C=C\CCCCCCCCCO1,"InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2",C16H28O2,,,,,,HMWPDRYGIBLSHB-GQCTYLIASA-N,,,,,,,,,,,
100.009.021,209-921-4,598-18-5,2-bromopropan-1-ol,2-bromopropan-1-ol,CC(Br)CO,CC(Br)CO,"InChI=1/C3H7BrO/c1-3(4)2-5/h3,5H,2H2,1H3",C3H7BrO,,,,,,DBTWOTKWIVISQR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.022,209-923-5,598-21-0,Bromoacetyl bromide,bromoacetyl bromide,BrCC(=O)Br,BrCC(=O)Br,InChI=1/C2H2Br2O/c3-1-2(4)5/h1H2,C2H2Br2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17142,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.022,LSTRKXWIZZZYAS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.027,209-928-2,598-31-2,Bromoacetone,1-bromoacetone,CC(=O)CBr,CC(=O)CBr,"InChI=1/C3H5BrO/c1-3(5)2-4/h2H2,1H3",C3H5BrO,,,,,,VQFAIAKCILWQPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.029,209-930-3,598-36-7,1-aminopropane-2-thiol,1-aminopropane-2-thiol,CC(S)CN,CC(S)CN,"InChI=1/C3H9NS/c1-3(5)2-4/h3,5H,2,4H2,1H3",C3H9NS,,,,,,MHJPNBAEWSRKBK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.032,209-934-5,598-49-2,N-chloroacetamide,N-chloroacetamide,CC(=O)NCl,CC(=O)NCl,"InChI=1/C2H4ClNO/c1-2(5)4-3/h1H3,(H,4,5)",C2H4ClNO,,,,,,HSPSCWZIJWKZKD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.034,209-936-6,598-52-7,Methyl-2-thiourea,1-methylthiourea,CNC(=S)N,CNC(=S)N,"InChI=1/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)",C2H6N2S,,,,,,KQJQICVXLJTWQD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.038,209-940-8,598-56-1,Ethyldimethylamine,"N,N-dimethylethanamine",CCN(C)C,CCN(C)C,"InChI=1/C4H11N/c1-4-5(2)3/h4H2,1-3H3",C4H11N,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2004,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.038,DAZXVJBJRMWXJP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.052,209-956-5,598-88-9,"1,2-dichloro-1,2-difluoroethylene","1,2-dichloro-1,2-difluoroethene",F\\C(=C(\\F)/Cl)\\Cl,F\C(=C(\F)/Cl)\Cl,InChI=1/C2Cl2F2/c3-1(5)2(4)6,C2Cl2F2,,,,,,UPVJEODAZWTJKZ-OWOJBTEDSA-N,,,,,,,,,,,
100.006.377,207-013-2,422-06-0,Pentafluoropropionaldehyde,"2,2,3,3,3-pentafluoropropanal",FC(F)(F)C(F)(F)C=O,FC(F)(F)C(F)(F)C=O,"InChI=1/C3HF5O/c4-2(5,1-9)3(6,7)8/h1H",C3HF5O,,,,,,IRPGOXJVTQTAAN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.380,207-016-9,422-56-0,"1,1-dichloro-2,2,3,3,3-pentafluoropropane","3,3-dichloro-1,1,1,2,2-pentafluoropropane",FC(F)(F)C(F)(F)C(Cl)Cl,FC(F)(F)C(F)(F)C(Cl)Cl,"InChI=1/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H",C3HCl2F5,,,,,,COAUHYBSXMIJDK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.382,207-019-5,422-61-7,Perfluoropropionyl fluoride,pentafluoropropanoyl fluoride,FC(=O)C(F)(F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)F,"InChI=1/C3F6O/c4-1(10)2(5,6)3(7,8)9",C3F6O,,,,,,YLCLKCNTDGWDMD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.385,207-022-1,422-69-5,"Dichloromethyl(1,1,2,2-tetrafluoroethyl)silane","(dichloromethyl)(1,1,2,2-tetrafluoroethyl)silane",FC(F)C(F)(F)[SiH2]C(Cl)Cl,FC(F)C(F)(F)[SiH2]C(Cl)Cl,"InChI=1/C3H4Cl2F4Si/c4-2(5)10-3(8,9)1(6)7/h1-2H,10H2",C3H4Cl2F4Si,,,,,,BEWCPNJHPZJRKN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.386,207-023-7,422-85-5,"1-bromo-1,1,2,2,3,3,3-heptafluoropropane","1-bromo-1,1,2,2,3,3,3-heptafluoropropane",FC(F)(F)C(F)(F)C(F)(F)Br,FC(F)(F)C(F)(F)C(F)(F)Br,"InChI=1/C3BrF7/c4-2(7,8)1(5,6)3(9,10)11",C3BrF7,,,,,,LANNRYWUUQMNPF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.387,207-024-2,422-86-6,"1-chloro-1,1,2,2,3,3,3-heptafluoropropane","1-chloro-1,1,2,2,3,3,3-heptafluoropropane",FC(F)(F)C(F)(F)C(F)(F)Cl,FC(F)(F)C(F)(F)C(F)(F)Cl,"InChI=1/C3ClF7/c4-2(7,8)1(5,6)3(9,10)11",C3ClF7,,,,,,XXSZLFRJEKKBDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.395,207-033-1,423-95-0,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Cl,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Cl,"InChI=1/C9HClF16O/c10-1(27)3(13,14)5(17,18)7(21,22)9(25,26)8(23,24)6(19,20)4(15,16)2(11)12/h2H",C9HClF16O,,,,,,RJYUFWDUKZUCSP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.399,207-037-3,425-75-2,Ethyl trifluoromethanesulphonate,ethyl trifluoromethanesulfonate,CCOS(=O)(=O)C(F)(F)F,CCOS(=O)(=O)C(F)(F)F,"InChI=1/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3",C3H5F3O3S,,,,,,UVECLJDRPFNRRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.401,207-039-4,425-88-7,"1,1,2,2-tetrafluoro-1-methoxyethane","1,1,2,2-tetrafluoro-1-methoxyethane",COC(F)(F)C(F)F,COC(F)(F)C(F)F,"InChI=1/C3H4F4O/c1-8-3(6,7)2(4)5/h2H,1H3",C3H4F4O,,,,,,YQQHEHMVPLLOKE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.799,210-778-5,623-20-1,Ethyl 3-(2-furyl)acrylate,ethyl 3-(2-furyl)acrylate,CCOC(=O)\\C=C\\c1occc1,CCOC(=O)\C=C\c1occc1,"InChI=1/C9H10O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-7H,2H2,1H3",C9H10O3,,,,,,MWZBTMXISMOMAE-AATRIKPKSA-N,,,,,,,,,,,
100.009.800,210-779-0,623-21-2,Furfuryl butyrate,2-furylmethyl butyrate,CCCC(=O)OCc1occc1,CCCC(=O)OCc1occc1,"InChI=1/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3",C9H12O3,,,,,,IXISGRHWGVGCAK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.801,210-780-6,623-22-3,Propyl 3-(2-furyl)acrylate,propyl 3-(2-furyl)acrylate,CCCOC(=O)\\C=C\\c1occc1,CCCOC(=O)\C=C\c1occc1,"InChI=1/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3",C10H12O3,,,,,,RRFBKGHLBNBFGL-AATRIKPKSA-N,,,,,,,,,,,
100.008.479,209-325-4,570-02-5,"2,4,6-trimethoxybenzoic acid","2,4,6-trimethoxybenzoic acid",COc1cc(OC)c(C(=O)O)c(OC)c1,COc1cc(OC)c(C(=O)O)c(OC)c1,"InChI=1/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)",C10H12O5,,,,,,JATAKEDDMQNPOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.301,210-230-5,610-57-1,"a-chloro-2,4-dinitrotoluene","1-(chloromethyl)-2,4-dinitrobenzene",[O-][N+](=O)c1ccc(CCl)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(CCl)c(c1)[N+](=O)[O-],"InChI=1/C7H5ClN2O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4H2",C7H5ClN2O4,,,,,,DARDYTBLZQDXBK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.310,210-239-4,610-92-4,"2,5-dihydroxyterephthalic acid","2,5-dihydroxyterephthalic acid",OC(=O)c1cc(O)c(cc1O)C(=O)O,OC(=O)c1cc(O)c(cc1O)C(=O)O,"InChI=1/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)",C8H6O6,,,,,,OYFRNYNHAZOYNF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.326,210-257-2,611-17-6,1-(bromomethyl)-2-chlorobenzene,1-(bromomethyl)-2-chlorobenzene,Clc1ccccc1CBr,Clc1ccccc1CBr,"InChI=1/C7H6BrCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",C7H6BrCl,,,,,,PURSZYWBIQIANP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.327,210-258-8,611-19-8,"a,2-dichlorotoluene",1-chloro-2-(chloromethyl)benzene,ClCc1ccccc1Cl,ClCc1ccccc1Cl,"InChI=1/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",C7H6Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13926,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.327,BASMANVIUSSIIM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.330,210-261-4,611-23-4,o-nitrosotoluene,1-methyl-2-nitrosobenzene,Cc1ccccc1N=O,Cc1ccccc1N=O,"InChI=1/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3",C7H7NO,,,,,,TWLBRQVYXPMCFK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.332,210-264-0,611-32-5,8-methylquinoline,8-methylquinoline,Cc1cccc2cccnc12,Cc1cccc2cccnc12,"InChI=1/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3",C10H9N,,,,,,JRLTTZUODKEYDH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.335,210-267-7,611-35-8,4-chloroquinoline,4-chloroquinoline,Clc1ccnc2ccccc12,Clc1ccnc2ccccc12,InChI=1/C9H6ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,C9H6ClN,,,,,,KNDOFJFSHZCKGT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.347,210-280-8,611-75-6,Bromhexine hydrochloride,"2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride",Cl.CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2,Cl.CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2,"InChI=1/C14H20Br2N2.ClH/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17;/h7-8,12H,2-6,9,17H2,1H3;1H",C14H20Br2N2.ClH,,,,,,UCDKONUHZNTQPY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.348,210-281-3,611-79-0,"3,3'-diaminobenzophenone",bis(3-aminophenyl)methanone,Nc1cccc(c1)C(=O)c2cccc(N)c2,Nc1cccc(c1)C(=O)c2cccc(N)c2,"InChI=1/C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,14-15H2",C13H12N2O,,,,,,TUQQUUXMCKXGDI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.568,208-323-0,522-18-9,Chlorbenzoxamine,1-{2-[(2-chlorophenyl)(phenyl)methoxy]ethyl}-4-(2-methylbenzyl)piperazine,Cc1ccccc1CN2CCN(CCOC(c3ccccc3)c4ccccc4Cl)CC2,Cc1ccccc1CN2CCN(CCOC(c3ccccc3)c4ccccc4Cl)CC2,"InChI=1/C27H31ClN2O/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28/h2-14,27H,15-21H2,1H3",C27H31ClN2O,,,,,,VEVSKUJZSMGTMM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.570,208-325-1,522-24-7,Fenethazine,"N,N-dimethyl-2-(10H-phenothiazin-10-yl)ethanamine",CN(C)CCN1c2ccccc2Sc3ccccc13,CN(C)CCN1c2ccccc2Sc3ccccc13,"InChI=1/C16H18N2S/c1-17(2)11-12-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18/h3-10H,11-12H2,1-2H3",C16H18N2S,,,,,,PFAXACNYGZVKMX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.577,208-333-5,522-60-1,Ethylhydrocupreine,"6'-ethoxy-10,11-dihydrocinchonan-9-ol",CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1,CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1,"InChI=1/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3",C21H28N2O2,,,,,,SUWZHLCNFQWNPE-LATRNWQMSA-N,,,,,,,,,,,
100.007.578,208-334-0,522-66-7,Hydroquinine,"6'-methoxy-10,11-dihydrocinchonan-9-ol",COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4C[C@@H]3CC[N@]4C[C@@H]3CC,COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4C[C@@H]3CC[N@]4C[C@@H]3CC,"InChI=1/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3",C20H26N2O2,,,,,,LJOQGZACKSYWCH-WZBLMQSHSA-N,,,,,,,,,,,
100.007.580,208-336-1,522-75-8,2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one,"3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",O=C3c4ccccc4SC3=C2Sc1ccccc1C2=O,O=C3c4ccccc4SC3=C2Sc1ccccc1C2=O,InChI=1/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H,C16H8O2S2,,,,,,JOUDBUYBGJYFFP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.581,208-337-7,522-87-2,Yohimbic acid,17-hydroxyyohimban-16-carboxylic acid,OC(=O)[C@H]3[C@@H](O)CC[C@H]4CN5CCc2c(nc1ccccc12)[C@@H]5C[C@H]34,OC(=O)[C@H]3[C@@H](O)CC[C@H]4CN5CCc2c(nc1ccccc12)[C@@H]5C[C@H]34,"InChI=1/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)",C20H24N2O3,,,,,,AADVZSXPNRLYLV-GKMXPDSGSA-N,,,,,,,,,,,
100.006.414,207-054-6,428-96-6,"2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane","2-chloro-1,1,2-trifluoroethyl dichloromethyl ether",FC(Cl)C(F)(F)OC(Cl)Cl,FC(Cl)C(F)(F)OC(Cl)Cl,"InChI=1/C3H2Cl3F3O/c4-1(7)3(8,9)10-2(5)6/h1-2H",C3H2Cl3F3O,,,,,,FTIQRZXWIUQTJF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.415,207-055-1,429-06-1,Tetraethylammonium tetrafluoroborate,"N,N,N-triethylethanaminium tetrafluoroborate",CC[N+](CC)(CC)CC.F[B-](F)(F)F,CC[N+](CC)(CC)CC.F[B-](F)(F)F,"InChI=1/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1",C8H20N.BF4,,,,,,XJRAKUDXACGCHA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.419,207-059-3,429-60-7,"Trimethoxy(3,3,3-trifluoropropyl)silane","trimethoxy(3,3,3-trifluoropropyl)silane",CO[Si](CCC(F)(F)F)(OC)OC,CO[Si](CCC(F)(F)F)(OC)OC,"InChI=1/C6H13F3O3Si/c1-10-13(11-2,12-3)5-4-6(7,8)9/h4-5H2,1-3H3",C6H13F3O3Si,,,,,,JLGNHOJUQFHYEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.423,207-064-0,430-51-3,Fluoroacetone,1-fluoroacetone,CC(=O)CF,CC(=O)CF,"InChI=1/C3H5FO/c1-3(5)2-4/h2H2,1H3",C3H5FO,,,,,,MSWVMWGCNZQPIA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.425,207-066-1,430-66-0,"1,1,2-trifluoroethane","1,1,2-trifluoroethane",FCC(F)F,FCC(F)F,"InChI=1/C2H3F3/c3-1-2(4)5/h2H,1H2",C2H3F3,,,,,,WGZYQOSEVSXDNI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.434,207-076-6,431-63-0,"1,1,1,2,3,3-hexafluoropropane","1,1,1,2,3,3-hexafluoropropane",FC(F)C(F)C(F)(F)F,FC(F)C(F)C(F)(F)F,"InChI=1/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H",C3H2F6,,,,,,FYIRUPZTYPILDH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.436,207-078-7,431-87-8,"2-chloro-1,1,1,3,3,3-hexafluoropropane","2-chloro-1,1,1,3,3,3-hexafluoropropane",FC(F)(F)C(Cl)C(F)(F)F,FC(F)(F)C(Cl)C(F)(F)F,"InChI=1/C3HClF6/c4-1(2(5,6)7)3(8,9)10/h1H",C3HClF6,,,,,,BKWAVXQSZLEURV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.438,207-080-8,432-24-6,"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde","2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde",CC1=CCCC(C)(C)C1C=O,CC1=CCCC(C)(C)C1C=O,"InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3",C10H16O,,,,,,ZVZRJSHOOULAGB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.439,207-081-3,432-25-7,"2,6,6-trimethylcyclohexene-1-carbaldehyde","2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde",CC1=C(C=O)C(C)(C)CCC1,CC1=C(C=O)C(C)(C)CCC1,"InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3",C10H16O,,,,,,MOQGCGNUWBPGTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.441,207-083-4,432-68-8,"ß,ß-caroten-4-one","beta,beta-caroten-4-one",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C1=C(C)C(=O)CCC1(C)C)\\C=C\\C=C(/C)\\C=C\\C2=C(C)CCCC2(C)C,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C,"InChI=1/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3",C40H54O,,,,,,QXNWZXMBUKUYMD-QQGJMDNJSA-N,,,,,,,,,,,
100.006.443,207-086-0,433-19-2,"1,4-bis(trifluoromethyl)benzene","1,4-bis(trifluoromethyl)benzene",FC(F)(F)c1ccc(cc1)C(F)(F)F,FC(F)(F)c1ccc(cc1)C(F)(F)F,"InChI=1/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H",C8H4F6,,,,,,PDCBZHHORLHNCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.447,207-090-2,433-68-1,"2,3,3-trifluoroacrylic acid","2,3,3-trifluoroacrylic acid",OC(=O)C(=C(F)F)F,OC(=O)C(=C(F)F)F,"InChI=1/C3HF3O2/c4-1(2(5)6)3(7)8/h(H,7,8)",C3HF3O2,,,,,,DVMSVWIURPPRBC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.448,207-091-8,433-94-3,2-chloro-6-(trifluoromethyl)aniline,2-chloro-6-(trifluoromethyl)aniline,Nc1c(Cl)cccc1C(F)(F)F,Nc1c(Cl)cccc1C(F)(F)F,"InChI=1/C7H5ClF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2",C7H5ClF3N,,,,,,OTRRSPQJZRCMDA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.450,207-093-9,433-97-6,"a,a,a-trifluoro-o-toluic acid",2-(trifluoromethyl)benzoic acid,OC(=O)c1ccccc1C(F)(F)F,OC(=O)c1ccccc1C(F)(F)F,"InChI=1/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)",C8H5F3O2,,,,,,FBRJYBGLCHWYOE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.454,207-098-6,434-07-1,Oxymetholone,17-hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one,O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)CC3=CO,O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)CC3=CO,"InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3",C21H32O3,,,,,,ICMWWNHDUZJFDW-IYRCEVNGSA-N,,,,,,,,,,,
100.006.459,207-103-1,434-45-7,"2,2,2-trifluoroacetophenone","2,2,2-trifluoro-1-phenylethanone",FC(F)(F)C(=O)c1ccccc1,FC(F)(F)C(=O)c1ccccc1,"InChI=1/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H",C8H5F3O,,,,,,KZJRKRQSDZGHEC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.460,207-104-7,434-64-0,Perfluorotoluene,"1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene",Fc1c(F)c(F)c(c(F)c1F)C(F)(F)F,Fc1c(F)c(F)c(c(F)c1F)C(F)(F)F,"InChI=1/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10",C7F8,,,,,,USPWUOFNOTUBAD-UHFFFAOYSA-N,,,,,,,,,,,
100.029.028,231-931-2,7779-65-9,Isopentyl cinnamate,3-methylbutyl 3-phenylacrylate,CC(C)CCOC(=O)\\C=C\\c1ccccc1,CC(C)CCOC(=O)\C=C\c1ccccc1,"InChI=1/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3",C14H18O2,,,,,,JFHCDEYLWGVZMX-CMDGGOBGSA-N,,,,,,,,,,,
100.025.801,228-381-0,7/10/6253,p-[[4-(phenylazo)-1-naphthyl]azo]phenol,4-{[4-(phenyldiazenyl)-1-naphthyl]diazenyl}phenol,Oc4ccc(N=Nc3ccc(N=Nc1ccccc1)c2ccccc23)cc4,Oc4ccc(N=Nc3ccc(N=Nc1ccccc1)c2ccccc23)cc4,"InChI=1/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H",C22H16N4O,,,,,,FWTBRYBHCBCJEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.804,228-384-7,6254-98-4,Bis[N-(p-methoxyphenyl)-p-phenylenediamine] sulphate,"N-(4-methoxyphenyl)benzene-1,4-diamine sulfate (2:1)",COc1ccc(Nc2ccc(N)cc2)cc1.COc3ccc(Nc4ccc(N)cc4)cc3.OS(=O)(=O)O,COc1ccc(Nc2ccc(N)cc2)cc1.COc3ccc(Nc4ccc(N)cc4)cc3.OS(=O)(=O)O,"InChI=1/2C13H14N2O.H2O4S/c2*1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;1-5(2,3)4/h2*2-9,15H,14H2,1H3;(H2,1,2,3,4)",C13H14N2O.1/2H2O4S,,,,,,PDIKQPGNGBZFRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.812,228-393-6,6258-60-2,4-methoxy-a-toluenethiol,(4-methoxyphenyl)methanethiol,COc1ccc(CS)cc1,COc1ccc(CS)cc1,"InChI=1/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3",C8H10OS,,,,,,PTDVPWWJRCOIIO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.813,228-394-1,6258-63-5,Thiophene-2-methanethiol,2-thienylmethanethiol,SCc1cccs1,SCc1cccs1,"InChI=1/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",C5H6S2,,,,,,GCZQHDFWKVMZOE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.817,228-398-3,2/09/6259,"4,4'-cyclohexylidenedi-o-anisidine","4,4'-cyclohexane-1,1-diylbis(2-methoxyaniline)",COc1cc(ccc1N)C2(CCCCC2)c3ccc(N)c(OC)c3,COc1cc(ccc1N)C2(CCCCC2)c3ccc(N)c(OC)c3,"InChI=1/C20H26N2O2/c1-23-18-12-14(6-8-16(18)21)20(10-4-3-5-11-20)15-7-9-17(22)19(13-15)24-2/h6-9,12-13H,3-5,10-11,21-22H2,1-2H3",C20H26N2O2,,,,,,FDEGVVJIAUSFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.820,228-401-8,6259-39-8,5-chloro-2-(4-chlorophenoxy)anilinium chloride,5-chloro-2-(4-chlorophenoxy)anilinium chloride,[Cl-].[NH3+]c1cc(Cl)ccc1Oc2ccc(Cl)cc2,[Cl-].[NH3+]c1cc(Cl)ccc1Oc2ccc(Cl)cc2,"InChI=1/C12H9Cl2NO.ClH/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15;/h1-7H,15H2;1H",C12H9Cl2NO.ClH,,,,,,BYVKKIVAXSTEHI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.828,228-410-7,6261-18-3,(E)-3-methyl-2-(pent-2-enyl)cyclopent-2-en-1-one,3-methyl-2-pent-2-en-1-ylcyclopent-2-en-1-one,CC\\C=C\\CC1=C(C)CCC1=O,CC\C=C\CC1=C(C)CCC1=O,"InChI=1/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3",C11H16O,,,,,,XMLSXPIVAXONDL-SNAWJCMRSA-N,,,,,,,,,,,
100.025.833,228-415-4,6262-24-4,N-(3-aminophenyl)formamide,N-(3-aminophenyl)formamide,Nc1cccc(NC=O)c1,Nc1cccc(NC=O)c1,"InChI=1/C7H8N2O/c8-6-2-1-3-7(4-6)9-5-10/h1-5H,8H2,(H,9,10)",C7H8N2O,,,,,,DRXLHYPPJRAJSL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.835,228-418-0,6262-42-6,Tetrachlorocyclopropene,tetrachlorocyclopropene,ClC1=C(Cl)C1(Cl)Cl,ClC1=C(Cl)C1(Cl)Cl,"InChI=1/C3Cl4/c4-1-2(5)3(1,6)7",C3Cl4,,,,,,BLZOHTXDDOAASQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.837,228-420-1,6263-37-2,"1-(3,4-dichlorophenyl)-1-hydroxy-3-methylurea","1-(3,4-dichlorophenyl)-1-hydroxy-3-methylurea",CNC(=O)N(O)c1ccc(Cl)c(Cl)c1,CNC(=O)N(O)c1ccc(Cl)c(Cl)c1,"InChI=1/C8H8Cl2N2O2/c1-11-8(13)12(14)5-2-3-6(9)7(10)4-5/h2-4,14H,1H3,(H,11,13)",C8H8Cl2N2O2,,,,,,BDEVAORUDIRFGE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.838,228-421-7,6263-54-3,1-[4-(4-fluorophenyl)-4-phenylbutyl]piperazine,1-[4-(4-fluorophenyl)-4-phenylbutyl]piperazine,Fc1ccc(cc1)C(CCCN2CCNCC2)c3ccccc3,Fc1ccc(cc1)C(CCCN2CCNCC2)c3ccccc3,"InChI=1/C20H25FN2/c21-19-10-8-18(9-11-19)20(17-5-2-1-3-6-17)7-4-14-23-15-12-22-13-16-23/h1-3,5-6,8-11,20,22H,4,7,12-16H2",C20H25FN2,,,,,,IVBRMABBDOJLRU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.846,228-430-6,2/07/6265,2-amino-6-nitro-p-cresol,2-amino-4-methyl-6-nitrophenol,Cc1cc(N)c(O)c(c1)[N+](=O)[O-],Cc1cc(N)c(O)c(c1)[N+](=O)[O-],"InChI=1/C7H8N2O3/c1-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,8H2,1H3",C7H8N2O3,,,,,,AJWIWEGQLDDWQC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.198,228-818-5,6359-97-3,"Sodium 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccccc2)C3=O,[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccccc2)C3=O,"InChI=1/C16H12Cl2N4O4S.Na/c1-9-15(20-19-10-5-3-2-4-6-10)16(23)22(21-9)13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1",C16H12Cl2N4O4S.Na,,,,,,NFPCJYBCHNUCEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.026.203,228-823-2,2/07/6360,Disodium 5-((4-acetylamino-2-sulphophenyl)azo)-6-amino-4-hydroxynaphthalene-2-disulphonate,disodium 5-[(4-acetamido-2-sulfonatophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonate,CC(=O)Nc1ccc(N=Nc2c(N)ccc3cc(cc(O)c23)S(=O)(=O)O[Na])c(c1)S(=O)(=O)O[Na],CC(=O)Nc1ccc(N=Nc2c(N)ccc3cc(cc(O)c23)S(=O)(=O)O[Na])c(c1)S(=O)(=O)O[Na],"InChI=1/C18H16N4O8S2.2Na/c1-9(23)20-11-3-5-14(16(7-11)32(28,29)30)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18;;/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/rC18H14N4Na2O8S2/c1-9(25)20-11-3-5-14(16(7-11)34(29,30)32-24)21-22-18-13(19)4-2-10-6-12(33(27,28)31-23)8-15(26)17(10)18/h2-8,26H,19H2,1H3,(H,20,25)",C18H16N4O8S2.2Na,,,,,,YAGIKUGDXINHLL-UHFFFAOYSA-L,,,,,,,,,,,
100.009.802,210-781-1,623-24-5,"a,a'-dibromo-p-xylene","1,4-bis(bromomethyl)benzene",BrCc1ccc(CBr)cc1,BrCc1ccc(CBr)cc1,"InChI=1/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2",C8H8Br2,,,,,,RBZMSGOBSOCYHR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.803,210-782-7,623-25-6,"a,a'-dichloro-p-xylene","1,4-bis(chloromethyl)benzene",ClCc1ccc(CCl)cc1,ClCc1ccc(CCl)cc1,"InChI=1/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2",C8H8Cl2,,,,,,ZZHIDJWUJRKHGX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.811,210-791-6,623-39-2,"3-methoxypropane-1,2-diol","3-methoxypropane-1,2-diol",COCC(O)CO,COCC(O)CO,"InChI=1/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3",C4H10O3,,,,,,PSJBSUHYCGQTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.817,210-797-9,623-49-4,Ethyl cyanoformate,ethyl cyanidocarbonate,CCOC(=O)C#N,CCOC(=O)C#N,"InChI=1/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3",C4H5NO2,,,,,,MSMGXWFHBSCQFB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.822,210-804-5,623-61-0,Isopropyl hydroxyacetate,isopropyl glycolate,CC(C)OC(=O)CO,CC(C)OC(=O)CO,"InChI=1/C5H10O3/c1-4(2)8-5(7)3-6/h4,6H,3H2,1-2H3",C5H10O3,,,,,,AZKIQQBSVTWCGY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.828,210-810-8,623-73-4,Ethyl diazoacetate,ethyl diazoacetate,CCOC(=O)C=[N+]=[N-],CCOC(=O)C=[N+]=[N-],"InChI=1/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3",C4H6N2O2,,,,,,YVPJCJLMRRTDMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.834,210-817-6,623-84-7,"Propane-1,2-diyl diacetate","propane-1,2-diyl diacetate",CC(COC(=O)C)OC(=O)C,CC(COC(=O)C)OC(=O)C,"InChI=1/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3",C7H12O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14142,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.834,MLHOXUWWKVQEJB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.083,208-890-4,545-48-2,"(3ß)-olean-12-ene-3,28-diol","olean-12-ene-3,28-diol",CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1,CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1,"InChI=1/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3",C30H50O2,,,,,,PSZDOEIIIJFCFE-OSQDELBUSA-N,,,,,,,,,,,
100.008.084,208-892-5,545-55-1,Tri(aziridin-1-yl)phosphine oxide,"1,1',1''-phosphoryltriaziridine",O=P(N1CC1)(N2CC2)N3CC3,O=P(N1CC1)(N2CC2)N3CC3,"InChI=1/C6H12N3OP/c10-11(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2",C6H12N3OP,,,,,,FYAMXEPQQLNQDM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.085,208-893-0,545-59-5,Racemoramide,"4-(2-methyl-4-oxo-3,3-diphenyl-4-pyrrolidin-1-ylbutyl)morpholine",CC(CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4,CC(CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4,"InChI=1/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3",C25H32N2O2,,,,,,INUNXTSAACVKJS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.093,208-901-2,546-46-3,Trizinc dicitrate,trizinc dicitrate,[Zn+2].[Zn+2].[Zn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Zn+2].[Zn+2].[Zn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13522,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.093,WGIWBXUNRXCYRA-UHFFFAOYSA-H,,,,,,,,,,,
100.008.096,208-904-9,546-56-5,Octaphenylcyclotetrasiloxane,"2,2,4,4,6,6,8,8-octaphenyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",O1[Si](O[Si](O[Si](O[Si]1(c2ccccc2)c3ccccc3)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7)(c8ccccc8)c9ccccc9,O1[Si](O[Si](O[Si](O[Si]1(c2ccccc2)c3ccccc3)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7)(c8ccccc8)c9ccccc9,"InChI=1/C48H40O4Si4/c1-9-25-41(26-10-1)53(42-27-11-2-12-28-42)49-54(43-29-13-3-14-30-43,44-31-15-4-16-32-44)51-56(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50-53,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H",C48H40O4Si4,,,,,,VSIKJPJINIDELZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.100,208-909-6,546-68-9,Titanium tetraisopropanolate,titanium tetraisopropanolate,[Ti+2].[Ti+2].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-],[Ti+2].[Ti+2].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-],"InChI=1/4C3H7O.2Ti/c4*1-3(2)4;;/h4*3H,1-2H3;;/q4*-1;2*+2",C3H8O.1/4Ti,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14879,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.100,XAOQDIBKMZXVEF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.102,208-911-7,546-79-2,2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol,5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol,CC(C)C12CCC(C)(O)C1C2,CC(C)C12CCC(C)(O)C1C2,"InChI=1/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,KXSDPILWMGFJMM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.109,208-919-0,547-32-0,Sulfadiazine sodium,sodium [(4-aminophenyl)sulfonyl](pyrimidin-2-yl)azanide,[Na+].O=S(=O)([N-]c1ncccn1)c2ccc(N)cc2,[Na+].O=S(=O)([N-]c1ncccn1)c2ccc(N)cc2,"InChI=1/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1",C10H10N4O2S.Na,,,,,,JLDCNMJPBBKAHH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.111,208-921-1,547-41-1,"Zinc bis(4-hydroxy-3,5-diiodobenzenesulphonate)","zinc bis(4-hydroxy-3,5-diiodobenzenesulfonate)",[Zn+2].Oc1c(I)cc(cc1I)S(=O)(=O)[O-].Oc2c(I)cc(cc2I)S(=O)(=O)[O-],[Zn+2].Oc1c(I)cc(cc1I)S(=O)(=O)[O-].Oc2c(I)cc(cc2I)S(=O)(=O)[O-],"InChI=1/2C6H4I2O4S.Zn/c2*7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h2*1-2,9H,(H,10,11,12);/q;;+2/p-2",C6H4I2O4S.1/2Zn,,,,,,GOQGBEWRWLVSSW-UHFFFAOYSA-L,,,,,,,,,,,
100.007.582,208-338-2,522-97-4,"5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo[g]benzo-1,3-dioxolo[5,6-a]quinolizine","9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline",COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC,COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC,"InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",C20H21NO4,,,,,,VZTUIEROBZXUFA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.583,208-339-8,523-01-3,"Emetan, 1',2'-didehydro-6',7',10,11-tetramethoxy-","6',7',10,11-tetramethoxy-1',2'-didehydroemetan",CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC4=NCCc5cc(OC)c(OC)cc45,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC4=NCCc5cc(OC)c(OC)cc45,"InChI=1/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3",C29H38N2O4,,,,,,FBRKYRSUSJWLHH-HMHJJOSWSA-N,,,,,,,,,,,
100.007.587,208-344-5,523-31-9,Dibenzyl phthalate,dibenzyl phthalate,O=C(OCc1ccccc1)c2ccccc2C(=O)OCc3ccccc3,O=C(OCc1ccccc1)c2ccccc2C(=O)OCc3ccccc3,"InChI=1/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2",C22H18O4,,,,,,UCVPKAZCQPRWAY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.599,208-357-6,524-36-7,Pyridoxamine dihydrochloride,4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride,Cl.Cl.Cc1ncc(CO)c(CN)c1O,Cl.Cl.Cc1ncc(CO)c(CN)c1O,"InChI=1/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H",C8H12N2O2.2ClH,,,,,,HNWCOANXZNKMLR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.603,208-361-8,524-57-2,"(8a,9R)-9-hydroxycinchonanium chloride",cinchonan-1-ium-9-ol chloride,[Cl-].O[C@@H]([C@@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C=C)c3ccnc4ccccc34,[Cl-].O[C@@H]([C@@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C=C)c3ccnc4ccccc34,"InChI=1/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H",C19H22N2O.ClH,,,,,,IMUHWLVEEVGMBC-YYXOUSRLSA-N,,,,,,,,,,,
100.007.604,208-362-3,524-61-8,Cinchonidine sulphate,cinchonan-9-ol sulfate (salt),O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OS(=O)(=O)O,O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OS(=O)(=O)O,"InChI=1/C19H22N2O.H2O4S/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)",C19H22N2O.1/2H2O4S,,,,,,KFHZMXDENPHHOU-YYXOUSRLSA-N,,,,,,,,,,,
100.007.608,208-367-0,524-96-9,"Benzyl(4,4'-dimethoxybenzhydrylidene)amine",N-[bis(4-methoxyphenyl)methylene]-1-phenylmethanamine,COc1ccc(cc1)C(=NCc2ccccc2)c3ccc(OC)cc3,COc1ccc(cc1)C(=NCc2ccccc2)c3ccc(OC)cc3,"InChI=1/C22H21NO2/c1-24-20-12-8-18(9-13-20)22(19-10-14-21(25-2)15-11-19)23-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3",C22H21NO2,,,,,,IZZONQFQTGCWNC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.609,208-368-6,524-99-2,Medrylamine,"2-[(4-methoxyphenyl)(phenyl)methoxy]-N,N-dimethylethanamine",COc1ccc(cc1)C(OCCN(C)C)c2ccccc2,COc1ccc(cc1)C(OCCN(C)C)c2ccccc2,"InChI=1/C18H23NO2/c1-19(2)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,18H,13-14H2,1-3H3",C18H23NO2,,,,,,BXCMCXBSUDRYPF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.610,208-369-1,525-05-3,"Disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulphonate","disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate",[Na+].[Na+].Oc1c(N=O)c2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1c(N=O)c2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H7NO8S2.2Na/c12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2",C10H7NO8S2.2Na,,,,,,DMKMTGULLYISBH-UHFFFAOYSA-L,,,,,,,,,,,
100.007.612,208-371-2,525-30-4,Mercuderamide,(3-{[2-(carboxymethoxy)benzoyl]amino}-2-hydroxypropyl)(hydroxy)mercury,O[Hg]CC(O)CNC(=O)c1ccccc1OCC(=O)O,O[Hg]CC(O)CNC(=O)c1ccccc1OCC(=O)O,"InChI=1/C12H14NO5.Hg.H2O/c1-8(14)6-13-12(17)9-4-2-3-5-10(9)18-7-11(15)16;;/h2-5,8,14H,1,6-7H2,(H,13,17)(H,15,16);;1H2/q;+1;/p-1/rC12H15HgNO6/c15-8(5-13-19)6-14-12(18)9-3-1-2-4-10(9)20-7-11(16)17/h1-4,8,15,19H,5-7H2,(H,14,18)(H,16,17)",C12H15HgNO6,,,,,,PUSWWQLIFKXNQJ-UHFFFAOYSA-M,,,,,,,,,,,
100.007.613,208-372-8,525-47-3,5-nitroquinoline-2-carboxylic acid,5-nitroquinoline-2-carboxylic acid,OC(=O)c1ccc2c(cccc2n1)[N+](=O)[O-],OC(=O)c1ccc2c(cccc2n1)[N+](=O)[O-],"InChI=1/C10H6N2O4/c13-10(14)8-5-4-6-7(11-8)2-1-3-9(6)12(15)16/h1-5H,(H,13,14)",C10H6N2O4,,,,,,PHELEJSJZGCLEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.614,208-373-3,525-48-4,2-(3-carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid,2-(3-carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid,OC(=O)c1cc(ccc1O)c2cc(C(=O)O)c3ccccc3n2,OC(=O)c1cc(ccc1O)c2cc(C(=O)O)c3ccccc3n2,"InChI=1/C17H11NO5/c19-15-6-5-9(7-12(15)17(22)23)14-8-11(16(20)21)10-3-1-2-4-13(10)18-14/h1-8,19H,(H,20,21)(H,22,23)",C17H11NO5,,,,,,KIWASCBIBBHEML-UHFFFAOYSA-N,,,,,,,,,,,
100.006.945,207-639-6,486-73-7,Isoquinoline-1-carboxylic acid,isoquinoline-1-carboxylic acid,OC(=O)c1nccc2ccccc12,OC(=O)c1nccc2ccccc12,"InChI=1/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)",C10H7NO2,,,,,,XAAKCCMYRKZRAK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.462,207-106-8,434-85-5,"10,10'-bianthrone","10H,10'H-9,9'-bianthracene-10,10'-dione",O=C1c2ccccc2C(=C3c4ccccc4C(=O)c5ccccc35)c6ccccc16,O=C1c2ccccc2C(=C3c4ccccc4C(=O)c5ccccc35)c6ccccc16,InChI=1/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H,C28H16O2,,,,,,MGRRGKWPEVFJSH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.844,210-828-6,624-09-9,Heptyl heptanoate,heptyl heptanoate,CCCCCCCOC(=O)CCCCCC,CCCCCCCOC(=O)CCCCCC,"InChI=1/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3",C14H28O2,,,,,,QOIIBPAJVWFEPE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.845,210-829-1,624-10-2,Bis(2-ethoxyethyl) sebacate,bis(2-ethoxyethyl) sebacate,CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC,CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC,"InChI=1/C18H34O6/c1-3-21-13-15-23-17(19)11-9-7-5-6-8-10-12-18(20)24-16-14-22-4-2/h3-16H2,1-2H3",C18H34O6,,,,,,UVRXDBUBNLXONB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.849,210-833-3,624-17-9,Diethyl azelate,diethyl azelaate,CCOC(=O)CCCCCCCC(=O)OCC,CCOC(=O)CCCCCCCC(=O)OCC,"InChI=1/C13H24O4/c1-3-16-12(14)10-8-6-5-7-9-11-13(15)17-4-2/h3-11H2,1-2H3",C13H24O4,,,,,,CQMYCPZZIPXILQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.857,210-842-2,624-38-4,"1,4-diiodobenzene","1,4-diiodobenzene",Ic1ccc(I)cc1,Ic1ccc(I)cc1,InChI=1/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H,C6H4I2,,,,,,LFMWZTSOMGDDJU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.859,210-844-3,624-42-0,6-methylheptan-3-one,6-methylheptan-3-one,CCC(=O)CCC(C)C,CCC(=O)CCC(C)C,"InChI=1/C8H16O/c1-4-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3",C8H16O,,,,,,CCCIYAQYQZQDIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.864,210-850-6,624-51-1,Nonan-3-ol,nonan-3-ol,CCCCCCC(O)CC,CCCCCCC(O)CC,"InChI=1/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,GYSCXPVAKHVAAY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.869,210-855-3,624-64-6,(E)-but-2-ene,but-2-ene,C\\C=C\\C,C\C=C\C,"InChI=1/C4H8/c1-3-4-2/h3-4H,1-2H3",C4H8,,,,,,IAQRGUVFOMOMEM-ONEGZZNKSA-N,,,,,,,,,,,
100.009.873,210-860-0,624-75-9,Iodoacetonitrile,iodoacetonitrile,ICC#N,ICC#N,InChI=1/C2H2IN/c3-1-2-4/h1H2,C2H2IN,,,,,,VODKOOOHHCAWFR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.876,210-863-7,624-79-3,Isocyanoethane,ethyl isocyanide,CC[N+]#[C-],CC[N+]#[C-],"InChI=1/C3H5N/c1-3-4-2/h3H2,1H3",C3H5N,,,,,,BPCWCZCOOFUXGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.892,210-881-5,625-23-0,2-methylhexan-2-ol,2-methylhexan-2-ol,CCCCC(C)(C)O,CCCCC(C)(C)O,"InChI=1/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3",C7H16O,,,,,,KRIMXCDMVRMCTC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.898,210-887-8,625-31-0,Pent-4-en-2-ol,pent-4-en-2-ol,CC(O)CC=C,CC(O)CC=C,"InChI=1/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3",C5H10O,,,,,,ZHZCYWWNFQUZOR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.899,210-888-3,625-33-2,Pent-3-en-2-one,pent-3-en-2-one,CC(=O)C=CC,CC(=O)C=CC,"InChI=1/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3",C5H8O,,,,,,LABTWGUMFABVFG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.259,207-984-2,504-15-4,5-methylresorcinol,"5-methylbenzene-1,3-diol",Cc1cc(O)cc(O)c1,Cc1cc(O)cc(O)c1,"InChI=1/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3",C7H8O2,,,,,,OIPPWFOQEKKFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.264,207-990-5,504-31-4,2H-pyran-2-one,2H-pyran-2-one,O=C1OC=CC=C1,O=C1OC=CC=C1,InChI=1/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,C5H4O2,,,,,,ZPSJGADGUYYRKE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.265,207-991-0,504-33-6,DL-homocysteic acid,2-amino-4-sulfobutanoic acid,NC(CCS(=O)(=O)O)C(=O)O,NC(CCS(=O)(=O)O)C(=O)O,"InChI=1/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)",C4H9NO5S,,,,,,VBOQYPQEPHKASR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.268,207-994-7,504-57-4,Nonadecan-10-one,nonadecan-10-one,CCCCCCCCCC(=O)CCCCCCCCC,CCCCCCCCCC(=O)CCCCCCCCC,"InChI=1/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",C19H38O,,,,,,YUPOCHDBBHTUBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.273,207-999-4,504-75-6,"4,5-dihydro-1H-imidazole","4,5-dihydro-1H-imidazole",C1CN=CN1,C1CN=CN1,"InChI=1/C3H6N2/c1-2-5-3-4-1/h3H,1-2H2,(H,4,5)",C3H6N2,,,,,,MTNDZQHUAFNZQY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.275,208-002-5,504-78-9,Thiazolidine,"1,3-thiazolidine",C1CSCN1,C1CSCN1,"InChI=1/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2",C3H7NS,,,,,,OGYGFUAIIOPWQD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.281,208-008-8,505-32-8,"3,7,11,15-tetramethylhexadec-1-en-3-ol","3,7,11,15-tetramethylhexadec-1-en-3-ol",CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C,CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C,"InChI=1/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3",C20H40O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10970,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.281,KEVYVLWNCKMXJX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.282,208-009-3,505-47-5,N-(2-carboxyethyl)-ß-alanine,"3,3'-iminodipropanoic acid (non-preferred name)",OC(=O)CCNCCC(=O)O,OC(=O)CCNCCC(=O)O,"InChI=1/C6H11NO4/c8-5(9)1-3-7-4-2-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)",C6H11NO4,,,,,,TXPKUUXHNFRBPS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.285,208-013-5,505-54-4,Hexadecanedioic acid,hexadecanedioic acid,OC(=O)CCCCCCCCCCCCCCC(=O)O,OC(=O)CCCCCCCCCCCCCCC(=O)O,"InChI=1/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)",C16H30O4,,,,,,QQHJDPROMQRDLA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.206,228-826-9,6360-29-8,"Trisodium 5-[[4'-[[4-[(4-amino-7-sulphonato-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate",trisodium 5-{[4'-({4-[(4-amino-7-sulfonato-1-naphthyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)biphenyl-4-yl]diazenyl}-2-hydroxybenzoate,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c7ccc(N=Nc6ccc(N=Nc4ccc(N)c3ccc(cc34)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O)cc7,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c7ccc(N=Nc6ccc(N=Nc4ccc(N)c3ccc(cc34)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O)cc7,"InChI=1/C39H27N7O9S2.3Na/c40-34-14-15-36(31-20-27(56(50,51)52)10-12-29(31)34)45-46-37-17-16-35(30-13-11-28(21-32(30)37)57(53,54)55)44-42-25-7-3-23(4-8-25)22-1-5-24(6-2-22)41-43-26-9-18-38(47)33(19-26)39(48)49;;;/h1-21,47H,40H2,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C39H27N7O9S2.3Na,,,,,,RJDWQVFKQLBFBW-UHFFFAOYSA-K,,,,,,,,,,,
100.026.207,228-827-4,6360-43-6,"Trisodium 4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-2,2'-disulphonate","trisodium 4-({7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-4'-[(4-hydroxyphenyl)diazenyl]biphenyl-2,2'-disulfonate",[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(c4ccc(N=Nc3c(cc2ccc(N=Nc1ccc(N)cc1N)cc2c3O)S([O-])(=O)=O)cc4S([O-])(=O)=O)c(c5)S([O-])(=O)=O)cc6,[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(c4ccc(N=Nc3c(cc2ccc(N=Nc1ccc(N)cc1N)cc2c3O)S([O-])(=O)=O)cc4S([O-])(=O)=O)c(c5)S([O-])(=O)=O)cc6,"InChI=1/C34H26N8O11S3.3Na/c35-19-2-12-29(28(36)14-19)41-39-21-3-1-18-13-32(56(51,52)53)33(34(44)27(18)15-21)42-40-23-7-11-26(31(17-23)55(48,49)50)25-10-6-22(16-30(25)54(45,46)47)38-37-20-4-8-24(43)9-5-20;;;/h1-17,43-44H,35-36H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C34H26N8O11S3.3Na,,,,,,UZHZWSKPHYRVDX-UHFFFAOYSA-K,,,,,,,,,,,
100.026.208,228-829-5,6360-54-9,"Disodium 5-[[4'-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-3-methylsalicylate","disodium 5-{[4'-({2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)biphenyl-4-yl]diazenyl}-2-hydroxy-3-methylbenzoate",[Na+].[Na+].Cc5cc(N=Nc1ccc(cc1)c4ccc(N=Nc3c(N)c(C)cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3N)cc4)cc(C([O-])=O)c5O,[Na+].[Na+].Cc5cc(N=Nc1ccc(cc1)c4ccc(N=Nc3c(N)c(C)cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3N)cc4)cc(C([O-])=O)c5O,"InChI=1/C33H28N8O6S.2Na/c1-18-16-28(40-37-24-11-13-26(14-12-24)48(45,46)47)30(35)31(29(18)34)41-38-23-9-5-21(6-10-23)20-3-7-22(8-4-20)36-39-25-15-19(2)32(42)27(17-25)33(43)44;;/h3-17,42H,34-35H2,1-2H3,(H,43,44)(H,45,46,47);;/q;2*+1/p-2",C33H28N8O6S.2Na,,,,,,FAQUHXBTAIFQMH-UHFFFAOYSA-L,,,,,,,,,,,
100.026.214,228-835-8,6361-38-2,"3-hydroxynaphthalene-2,6-disulphonic acid","3-hydroxynaphthalene-2,6-disulfonic acid",Oc1cc2cc(ccc2cc1S(=O)(=O)O)S(=O)(=O)O,Oc1cc2cc(ccc2cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O7S2/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)",C10H8O7S2,,,,,,IJMIXVXSQKGSPW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.215,228-836-3,6361-41-7,6-acetamido-4-hydroxynaphthalene-2-sulphonic acid,6-acetamido-4-hydroxynaphthalene-2-sulfonic acid,CC(=O)Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,CC(=O)Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,"InChI=1/C12H11NO5S/c1-7(14)13-9-3-2-8-4-10(19(16,17)18)6-12(15)11(8)5-9/h2-6,15H,1H3,(H,13,14)(H,16,17,18)",C12H11NO5S,,,,,,YKVBYISUDGOVDM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.219,228-841-0,6362-44-3,"Disodium 4-(benzoylamino)-5-hydroxy-6-[(m-tolyl)azo]naphthalene-1,7-disulphonate","disodium 4-(benzoylamino)-5-hydroxy-6-[(3-methylphenyl)diazenyl]naphthalene-1,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4ccc(NC(=O)c1ccccc1)c3c4cc(c(N=Nc2cc(C)ccc2)c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(NC(=O)c1ccccc1)c3c4cc(c(N=Nc2cc(C)ccc2)c3O)S([O-])(=O)=O,"InChI=1/C24H19N3O8S2.2Na/c1-14-6-5-9-16(12-14)26-27-22-20(37(33,34)35)13-17-19(36(30,31)32)11-10-18(21(17)23(22)28)25-24(29)15-7-3-2-4-8-15;;/h2-13,28H,1H3,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C24H19N3O8S2.2Na,,,,,,VZAROUVOFRCLMS-UHFFFAOYSA-L,,,,,,,,,,,
100.026.233,228-856-2,6364-39-2,"4-methyl-6-(naphthylazo)benzene-1,3-diamine","4-methyl-6-(1-naphthyldiazenyl)benzene-1,3-diamine",Cc3cc(N=Nc1cccc2ccccc12)c(N)cc3N,Cc3cc(N=Nc1cccc2ccccc12)c(N)cc3N,"InChI=1/C17H16N4/c1-11-9-17(15(19)10-14(11)18)21-20-16-8-4-6-12-5-2-3-7-13(12)16/h2-10H,18-19H2,1H3",C17H16N4,,,,,,ISAXZYNEXMETQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.043,231-948-5,3/04/7780,1-aminopropan-2-ol hydrochloride,1-aminopropan-2-ol hydrochloride,Cl.CC(O)CN,Cl.CC(O)CN,"InChI=1/C3H9NO.ClH/c1-3(5)2-4;/h3,5H,2,4H2,1H3;1H",C3H9NO.ClH,,,,,,CNGMQNNDKGEIMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.053,231-959-5,7782-50-5,Chlorine,chlorine,ClCl,ClCl,InChI=1/Cl2/c1-2,Cl2,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16137,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.053,KZBUYRJDOAKODT-UHFFFAOYSA-N,,,,,,,,,,,
100.029.054,231-960-0,7782-64-1,Manganese difluoride,manganese(2+) difluoride,F[Mn]F,F[Mn]F,InChI=1/2FH.Mn/h2*1H;/q;;+2/p-2,F2Mn,,,,,,CTNMMTCXUUFYAP-UHFFFAOYSA-L,,,,,,,,,,,
100.029.061,231-967-9,7782-87-8,Potassium phosphinate,potassium phosphinate,[K+].[O-]P=O,[K+].[O-]P=O,"InChI=1/K.HO2P/c;1-3-2/h;(H,1,2)/q+1;/p-1",H3O2P.K,,,,,,CRGPNLUFHHUKCM-UHFFFAOYSA-M,,,,,,,,,,,
100.029.065,231-972-6,7782-95-8,Disodium diphosphate,disodium diphosphate,[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2Na.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+1;;/p-6",H4O6P2.2Na,,,,,,CSVGEMRSDNSWRF-UHFFFAOYSA-H,,,,,,,,,,,
100.008.116,208-926-9,547-60-4,"(1a,2a,5a)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one","2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",C[C@H]1[C@@H]2C[C@H](CC1=O)C2(C)C,C[C@H]1[C@@H]2C[C@H](CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,MQPHVIPKLRXGDJ-RNJXMRFFSA-N,,,,,,,,,,,
100.007.253,207-977-4,503-87-7,2-thiohydantoin,2-thioxoimidazolidin-4-one,O=C1CNC(=S)N1,O=C1CNC(=S)N1,"InChI=1/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",C3H4N2OS,,,,,,UGWULZWUXSCWPX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.256,207-981-6,504-03-0,Nanofin,"2,6-dimethylpiperidine",CC1CCCC(C)N1,CC1CCCC(C)N1,"InChI=1/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3",C7H15N,,,,,,SDGKUVSVPIIUCF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.257,207-982-1,504-07-4,Dihydrouracil,"dihydropyrimidine-2,4(1H,3H)-dione",O=C1CCNC(=O)N1,O=C1CCNC(=O)N1,"InChI=1/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)",C4H6N2O2,,,,,,OIVLITBTBDPEFK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.054,209-958-6,598-96-9,"3,4,4-trimethylpent-2-ene","3,4,4-trimethylpent-2-ene",CC(=CC)C(C)(C)C,CC(=CC)C(C)(C)C,"InChI=1/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3",C8H16,,,,,,FZQMZRXKWHQJAG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.055,209-959-1,598-98-1,Methyl pivalate,methyl pivalate,COC(=O)C(C)(C)C,COC(=O)C(C)(C)C,"InChI=1/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3",C6H12O2,,,,,,CNMFHDIDIMZHKY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.056,209-960-7,598-99-2,Methyl trichloroacetate,methyl trichloroacetate,COC(=O)C(Cl)(Cl)Cl,COC(=O)C(Cl)(Cl)Cl,"InChI=1/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3",C3H3Cl3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11414,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.056,VHFUHRXYRYWELT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.059,209-963-3,599-04-2,"a-hydroxy-ß,ß-dimethyl-<U+03B3>-butyrolactone","3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one",CC1(C)COC(=O)C1O,CC1(C)COC(=O)C1O,"InChI=1/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3",C6H10O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11061,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.059,SERHXTVXHNVDKA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.065,209-970-1,599-67-7,a-methylbenzhydryl alcohol,"1,1-diphenylethanol",CC(O)(c1ccccc1)c2ccccc2,CC(O)(c1ccccc1)c2ccccc2,"InChI=1/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3",C14H14O,,,,,,GIMDPFBLSKQRNP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.068,209-973-8,599-71-3,Benzenesulphonohydroxamic acid,N-hydroxybenzenesulfonamide,ONS(=O)(=O)c1ccccc1,ONS(=O)(=O)c1ccccc1,"InChI=1/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H",C6H7NO3S,,,,,,BRMDATNYMUMZLN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.069,209-974-3,599-79-1,Salazosulfapyridine,2-hydroxy-5-{[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl}benzoic acid,O=S(=O)(Nc1ccccn1)c3ccc(N=Nc2cc(C(O)=O)c(O)cc2)cc3,O=S(=O)(Nc1ccccn1)c3ccc(N=Nc2cc(C(O)=O)c(O)cc2)cc3,"InChI=1/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)",C18H14N4O5S,,,,,,NCEXYHBECQHGNR-UHFFFAOYSA-N,Positive/Negative,mzcloud:3047,[M-H2O+H]+;[M+H]+,HCD_Averaged,53.00219:62.01510:63.02293:67.0416:76.0308:81.03350:91.0178:94.0525:119.0128:137.02332:139.05424:165.02946:213.0659:241.06077:257.0557:273.0506:317.1033:333.0982:381.0652,HighChem,mzcloud:3047,[M-H]-,HCD_Averaged,91.03017:82.00604:92.0268:95.01386:108.0217:122.0247:167.0502:183.05648:196.0644:197.0721:212.0593:240.0541:289.1095,HighChem
100.009.071,209-976-4,599-88-2,Sulfaperin,4-amino-N-(5-methylpyrimidin-2-yl)benzenesulfonamide,Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,"InChI=1/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",C11H12N4O2S,,,,,,DZQVFHSCSRACSX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.072,209-978-5,599-91-7,Propyl toluene-4-sulphonate,propyl 4-methylbenzenesulfonate,CCCOS(=O)(=O)c1ccc(C)cc1,CCCOS(=O)(=O)c1ccc(C)cc1,"InChI=1/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3",C10H14O3S,,,,,,JTTWNTXHFYNETH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.077,209-983-2,600-11-3,"2,3-dichloropentane","2,3-dichloropentane",CCC(Cl)C(C)Cl,CCC(Cl)C(C)Cl,"InChI=1/C5H10Cl2/c1-3-5(7)4(2)6/h4-5H,3H2,1-2H3",C5H10Cl2,,,,,,HVFJQRZGBBKTPL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.078,209-984-8,600-14-6,"Pentane-2,3-dione","pentane-2,3-dione",CCC(=O)C(=O)C,CCC(=O)C(=O)C,"InChI=1/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",C5H8O2,,,,,,TZMFJUDUGYTVRY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.086,209-993-7,600-36-2,"2,4-dimethylpentan-3-ol","2,4-dimethylpentan-3-ol",CC(C)C(O)C(C)C,CC(C)C(O)C(C)C,"InChI=1/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3",C7H16O,,,,,,BAYAKMPRFGNNFW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.088,209-995-8,600-57-7,"11-ß-hydroxypregn-4-ene-3,20-dione","11-hydroxypregn-4-ene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3",C21H30O3,,,,,,BFZHCUBIASXHPK-ATWVFEABSA-N,,,,,,,,,,,
100.009.095,210-004-6,601-54-7,Cholest-5-en-3-one,cholest-5-en-3-one,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3",C27H44O,,,,,,GGCLNOIGPMGLDB-GYKMGIIDSA-N,,,,,,,,,,,
100.009.098,210-007-2,601-75-2,Ethylmalonic acid,ethylmalonic acid,CCC(C(=O)O)C(=O)O,CCC(C(=O)O)C(=O)O,"InChI=1/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)",C5H8O4,,,,,,UKFXDFUAPNAMPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.949,207-643-8,486-86-2,"(1R)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one","1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one",O=C1C=CC=C2[C@H]3CNCC(C3)CN12,O=C1C=CC=C2[C@H]3CNCC(C3)CN12,"InChI=1/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2",C12H16N2O,,,,,,ANJTVLIZGCUXLD-YGPZHTELSA-N,,,,,,,,,,,
100.006.956,207-651-1,487-19-4,3-(1-methylpyrrol-2-yl)pyridine,3-(1-methyl-1H-pyrrol-2-yl)pyridine,Cn1cccc1c2cccnc2,Cn1cccc1c2cccnc2,"InChI=1/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3",C10H10N2,,,,,,RYFOJXFXERAMLS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.958,207-653-2,487-24-1,7-hydroxy-2-(4-methoxyphenyl)-4-benzopyrone,7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one,COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2,COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2,"InChI=1/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3",C16H12O4,,,,,,SQVXWIUVAILQRH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.959,207-654-8,487-26-3,"2,3-dihydroflavone","2-phenyl-2,3-dihydro-4H-chromen-4-one",O=C1CC(Oc2ccccc12)c3ccccc3,O=C1CC(Oc2ccccc12)c3ccccc3,"InChI=1/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2",C15H12O2,,,,,,ZONYXWQDUYMKFB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.960,207-655-3,487-27-4,Scopoline,"4-methylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-6-ol",CN1[C@H]3C[C@@H]2C[C@@H]1[C@H](O)[C@H]3O2,CN1[C@H]3C[C@@H]2C[C@@H]1[C@H](O)[C@H]3O2,"InChI=1/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3",C8H13NO2,,,,,,MEGPURSNXMUDAE-BJNUKLAGSA-N,,,,,,,,,,,
100.006.969,207-665-8,487-89-8,Indole-3-carbaldehyde,1H-indole-3-carbaldehyde,O=Cc1c[nH]c2ccccc12,O=Cc1c[nH]c2ccccc12,"InChI=1/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",C9H7NO,,,,,,OLNJUISKUQQNIM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.973,207-670-5,488-11-9,Mucobromic acid,"2,3-dibromo-4-oxobut-2-enoic acid",BrC(C=O)=C(Br)C(O)=O,BrC(C=O)=C(Br)C(O)=O,"InChI=1/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)",C4H2Br2O3,,,,,,NCNYEGJDGNOYJX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.977,207-674-7,488-36-8,D-glycero-D-ido-heptonic acid,D-glycero-D-ido-heptonic acid,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O,"InChI=1/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)",C7H14O8,,,,,,KWMLJOLKUYYJFJ-DVKNGEFBSA-N,,,,,,,,,,,
100.006.983,207-681-5,488-55-1,Muco-Inositol,"cyclohexane-1,2,3,4,5,6-hexol",O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O,InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,C6H12O6,,,,,,CDAISMWEOUEBRE-GNIYUCBRSA-N,,,,,,,,,,,
100.006.988,207-686-2,488-82-4,D-arabinitol,D-threo-pentitol,OC[C@@H](O)C(O)[C@H](O)CO,OC[C@@H](O)C(O)[C@H](O)CO,"InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2",C5H12O5,,,,,,HEBKCHPVOIAQTA-QWWZWVQMSA-N,,,,,,,,,,,
100.006.992,207-690-4,488-97-1,"1,3,3-trimethyltricyclo[2.2.1.02,6]heptane","1,3,3-trimethyltricyclo[2.2.1.0~2,6~]heptane",CC1(C)C2CC3C1C3(C)C2,CC1(C)C2CC3C1C3(C)C2,"InChI=1/C10H16/c1-9(2)6-4-7-8(9)10(7,3)5-6/h6-8H,4-5H2,1-3H3",C10H16,,,,,,NZXWDTCLMXDSHY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.994,207-693-0,489-01-0,"2,6-di-tert-butyl-4-methoxyphenol","2,6-di-tert-butyl-4-methoxyphenol",COc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,COc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3",C15H24O2,,,,,,SLUKQUGVTITNSY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.483,209-330-1,570-36-5,"6a-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate","6-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C23H29FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h4,6,8,14-15,17-18,20,27,29H,5,7,9-11H2,1-3H3",C23H29FO6,,,,,,CYMBAKFTWRNHPS-APRQOCPKSA-N,,,,,,,,,,,
100.008.488,209-335-9,571-58-4,"1,4-dimethylnaphthalene","1,4-dimethylnaphthalene",Cc1ccc(C)c2ccccc12,Cc1ccc(C)c2ccccc12,"InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3",C12H12,,,,,,APQSQLNWAIULLK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.498,209-346-9,573-03-5,4-fluoro-1-naphthoic acid,4-fluoro-1-naphthoic acid,OC(=O)c1ccc(F)c2ccccc12,OC(=O)c1ccc(F)c2ccccc12,"InChI=1/C11H7FO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)",C11H7FO2,,,,,,DEWIOKQDRWFLFW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.506,209-355-8,573-41-1,Theophylline--2-aminoethanol,"1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2nc[nH]c2C1=O,CN1C(=O)N(C)c2nc[nH]c2C1=O,"InChI=1/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",C7H8N4O2.C2H7NO,,,,,,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,Positive/Negative,AU111403;SM815601;EQ363201|EQ363202|EQ363203|EQ363204|EQ363205|EQ363206|EQ363207|EQ363208|EQ363209,[M+H]+;[M+H]+;[M+H]+,CID17.3-26.0;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,181.0723:124.0501:142.0611;181.0719:124.0505:96.0556;181.0721:124.0507:96.0556|181.0721:124.0507:96.0557|181.0721:124.0506:96.0557|124.0507:181.0721:96.0557|124.0507:96.0557:69.0447|69.0448:124.0507:96.0557|69.0448:96.0557:109.0272|69.0448:54.0213:109.0272|69.0448:54.0213:67.0291,Athens_Univ;CASMI_2016;Eawag,SM815654;EQ363251|EQ363252|EQ363253|EQ363254|EQ363255|EQ363256|EQ363257|EQ363258|EQ363259,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,179.0575:164.034;179.0575:164.0341:122.036|179.0575:164.0341:122.0361|179.0575:164.0342:122.0361|164.0342:179.0576:122.0361|164.0342:122.0361:94.0411|122.0361:164.0342:94.0411|65.9986:79.0177:94.0411|65.9986:79.0177:92.0255|65.9986:65.0146:55.0302,CASMI_2016;Eawag
100.008.507,209-356-3,573-54-6,2-bromo-3-nitrobenzoic acid,2-bromo-3-nitrobenzoic acid,OC(=O)c1cccc(c1Br)[N+](=O)[O-],OC(=O)c1cccc(c1Br)[N+](=O)[O-],"InChI=1/C7H4BrNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)",C7H4BrNO4,,,,,,WTDJEGSXLFHZPY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.289,208-017-7,505-70-4,"Hexa-2,4-dienedioic acid","hexa-2,4-dienedioic acid",O=C(O)C=CC=CC(O)=O,O=C(O)C=CC=CC(O)=O,"InChI=1/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)",C6H6O4,,,,,,TXXHDPDFNKHHGW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.290,208-018-2,505-71-5,"N,N'-dinitroethylenediamine","N,N'-dinitroethane-1,2-diamine",[O-][N+](=O)NCCN[N+](=O)[O-],[O-][N+](=O)NCCN[N+](=O)[O-],"InChI=1/C2H6N4O4/c7-5(8)3-1-2-4-6(9)10/h3-4H,1-2H2",C2H6N4O4,,,,,,QCOXCILKVHKOGO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.294,208-022-4,505-86-2,Hexadecyltrimethylammonium hydroxide,"N,N,N-trimethylhexadecan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCCCC[N+](C)(C)C,[OH-].CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1",C19H42N.HO,,,,,,WJLUBOLDZCQZEV-UHFFFAOYSA-M,,,,,,,,,,,
100.007.300,208-029-2,506-23-0,"(9E,11Z,13E)-9,11,13-octadecatrienoic acid","octadeca-9,11,13-trienoic acid",CCCC\\C=C\\C=C/C=C/CCCCCCCC(=O)O,CCCC\C=C\C=C/C=C/CCCCCCCC(=O)O,"InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)",C18H30O2,,,,,,CUXYLFPMQMFGPL-MRZTUZPCSA-N,,,,,,,,,,,
100.007.311,208-041-8,506-48-9,Octacosanoic acid,octacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",C28H56O2,,,,,,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.112,210-022-4,602-64-2,"1,2,3-trihydroxyanthraquinone","1,2,3-trihydroxy-9,10-anthraquinone",Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O,Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O,"InChI=1/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H",C14H8O5,,,,,,AHKDJQYHVWSRLT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.118,210-029-2,603-02-1,"2,4-dinitro-m-xylene","1,3-dimethyl-2,4-dinitrobenzene",Cc1ccc(c(C)c1[N+](=O)[O-])[N+](=O)[O-],Cc1ccc(c(C)c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-5-3-4-7(9(11)12)6(2)8(5)10(13)14/h3-4H,1-2H3",C8H8N2O4,,,,,,XUUSVHGZGPBZLS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.119,210-030-8,603-11-2,3-nitrophthalic acid,3-nitrophthalic acid,OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-],OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-],"InChI=1/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5NO6,,,,,,KFIRODWJCYBBHY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.121,210-032-9,603-32-7,Triphenylarsine,triphenylarsine,c1ccc(cc1)[As](c2ccccc2)c3ccccc3,c1ccc(cc1)[As](c2ccccc2)c3ccccc3,InChI=1/C18H15As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,C18H15As,,,,,,BPLUKJNHPBNVQL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.127,208-938-4,547-91-1,8-hydroxy-7-iodoquinoline-5-sulphonic acid,8-hydroxy-7-iodoquinoline-5-sulfonic acid,Oc1c(I)cc(c2cccnc12)S(=O)(=O)O,Oc1c(I)cc(c2cccnc12)S(=O)(=O)O,"InChI=1/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)",C9H6INO4S,,,,,,ZBJWWKFMHOAPNS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.136,208-948-9,548-43-6,Elymoclavine,"(6-methyl-8,9-didehydroergolin-8-yl)methanol",OCC=3CN(C)[C@@H]4Cc1cnc2cccc(c12)[C@H]4C=3,OCC=3CN(C)[C@@H]4Cc1cnc2cccc(c12)[C@H]4C=3,"InChI=1/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3",C16H18N2O,,,,,,DAVNRFCJMIONPO-UKRRQHHQSA-N,,,,,,,,,,,
100.008.147,208-960-4,548-83-4,"3,5,7-trihydroxy-2-phenyl-4-benzopyrone","3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one",OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3,"InChI=1/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H",C15H10O5,,,,,,VCCRNZQBSJXYJD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.150,208-964-6,549-18-8,Amitriptyline hydrochloride,"3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride",Cl.CN(C)CCC=C1c2ccccc2CCc3ccccc13,Cl.CN(C)CCC=C1c2ccccc2CCc3ccccc13,"InChI=1/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H",C20H23N.ClH,,,,,,KFYRPLNVJVHZGT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.152,208-966-7,549-47-3,Quinine dihydrobromide,6'-methoxycinchonan-9-ol dihydrobromide,Br.Br.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,Br.Br.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.2BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H",C20H24N2O2.2BrH,,,,,,GKRXTXTYZVRRAI-HZQSTTLBSA-N,,,,,,,,,,,
100.008.153,208-967-2,549-49-5,Quinine hydrobromide,6'-methoxycinchonan-9-ol hydrobromide,Br.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,Br.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H",C20H24N2O2.BrH,,,,,,HDZGBIRSORQVNB-DSXUQNDKSA-N,,,,,,,,,,,
100.029.066,231-973-1,7782-99-2,Sulphurous acid,sulfurous acid,OS(=O)O,OS(=O)O,"InChI=1/H2O3S/c1-4(2)3/h(H2,1,2,3)",H2O3S,,,,,,LSNNMFCWUKXFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.029.072,231-979-4,6/08/7783,Selenic acid,selenic acid,O[Se](=O)(=O)O,O[Se](=O)(=O)O,"InChI=1/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)",H2O4Se,,,,,,QYHFIVBSNOWOCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.080,231-988-3,7783-30-4,Mercury iodide,mercury diiodide,[I-].[Hg+],[I-].[Hg+],InChI=1/Hg.HI/h;1H/q+2;/p-1,HgI,,,,,,QKEOZZYXWAIQFO-UHFFFAOYSA-M,,,,,,,,,,,
100.029.086,231-995-1,7783-40-6,Magnesium fluoride,magnesium difluoride,[F-].[F-].[Mg+2],[F-].[F-].[Mg+2],InChI=1/2FH.Mg/h2*1H;/q;;+2/p-2,F2Mg,,,,,,ORUIBWPALBXDOA-UHFFFAOYSA-L,,,,,,,,,,,
100.029.089,231-998-8,7783-46-2,Lead difluoride,-,[Pb+2].[F-].[F-],[Pb+2].[F-].[F-],InChI=1/2FH.Pb.2H/h2*1H;;;/q;;+4;;/p-2/r2FH.H2Pb/h2*1H;1H2/q;;+4/p-2,F2Pb,,,,,,FPHIOHCCQGUGKU-UHFFFAOYSA-L,,,,,,,,,,,
100.025.851,228-435-3,6266-81-5,Piperazinium thymol-6-sulphonate,piperazin-1-ium 4-hydroxy-5-isopropyl-2-methylbenzenesulfonate,CC(C)c1cc(c(C)cc1O)S(=O)(=O)[O-].C2C[NH2+]CCN2,CC(C)c1cc(c(C)cc1O)S(=O)(=O)[O-].C2C[NH2+]CCN2,"InChI=1/C10H14O4S.C4H10N2/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;1-2-6-4-3-5-1/h4-6,11H,1-3H3,(H,12,13,14);5-6H,1-4H2",C10H14O4S.C4H10N2,,,,,,VJOODGFNRKLOGH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.854,228-439-5,6267-24-9,Triethyl trithioorthoformate,"1,1',1''-(methanetriyltrisulfanediyl)triethane",CCSC(SCC)SCC,CCSC(SCC)SCC,"InChI=1/C7H16S3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3",C7H16S3,,,,,,HBBOGXAEKAVLGW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.855,228-440-0,6268-00-4,<U+03B3>-oxo-a-phenylbenzenebutyronitrile,"4-oxo-2,4-diphenylbutanenitrile",O=C(CC(C#N)c1ccccc1)c2ccccc2,O=C(CC(C#N)c1ccccc1)c2ccccc2,"InChI=1/C16H13NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-10,15H,11H2",C16H13NO,,,,,,JRWUFQJVJGKCCT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.857,228-442-1,6268-43-5,"1,3-di-2-pyridylurea","1,3-dipyridin-2-ylurea",O=C(Nc1ccccn1)Nc2ccccn2,O=C(Nc1ccccn1)Nc2ccccn2,"InChI=1/C11H10N4O/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16)",C11H10N4O,,,,,,FOQXHWCMYZXOGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.868,228-454-7,6270-56-0,2-(ethoxymethyl)furan,2-(ethoxymethyl)furan,CCOCc1occc1,CCOCc1occc1,"InChI=1/C7H10O2/c1-2-8-6-7-4-3-5-9-7/h3-5H,2,6H2,1H3",C7H10O2,,,,,,BHGBNDNKYPEAAT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.502,230-251-3,6986-51-2,1-(1-ethoxyethoxy)-2-methylpropane,1-(1-ethoxyethoxy)-2-methylpropane,CCOC(C)OCC(C)C,CCOC(C)OCC(C)C,"InChI=1/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3",C8H18O2,,,,,,YEKSEJHZJGHKBN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.514,230-264-4,6994-51-0,"Phenyl 4-(2H-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate","phenyl 5-(2H-naphtho[1,2-d][1,2,3]triazol-2-yl)-2-(2-phenylvinyl)benzenesulfonate",O=S(=O)(Oc1ccccc1)c2cc(ccc2\\C=C\\c3ccccc3)n4nc5ccc6ccccc6c5n4,O=S(=O)(Oc1ccccc1)c2cc(ccc2\C=C\c3ccccc3)n4nc5ccc6ccccc6c5n4,"InChI=1/C30H21N3O3S/c34-37(35,36-26-12-5-2-6-13-26)29-21-25(19-17-24(29)16-15-22-9-3-1-4-10-22)33-31-28-20-18-23-11-7-8-14-27(23)30(28)32-33/h1-21H",C30H21N3O3S,,,,,,UVLVTQUZKGNXQB-FOCLMDBBSA-N,,,,,,,,,,,
100.029.623,232-599-1,9001-33-6,Ficin,fluoro[(imino-lambda~3~-iodanyl)methylene]-lambda~3~-iodane,F\\I=C\\I=N,F\I=C\I=N,"InChI=1/CH2FI2N/c2-3-1-4-5/h1,5H",-,,,,,,POTUGHMKJGOKRI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.250,226-675-3,5450-26-0,"3-O-methylsulphonyl-1,2,5,6-di-O-isopropylidene-a-D-glucofuranose","5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl methanesulfonate (non-preferred name)",CC1(C)OCC(O1)C2OC3OC(C)(C)OC3C2OS(=O)(=O)C,CC1(C)OCC(O1)C2OC3OC(C)(C)OC3C2OS(=O)(=O)C,"InChI=1/C13H22O8S/c1-12(2)16-6-7(18-12)8-9(21-22(5,14)15)10-11(17-8)20-13(3,4)19-10/h7-11H,6H2,1-5H3",C13H22O8S,,,,,,CLCAOXSGSHWACR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.253,226-679-5,2/09/5451,5-amino-3-oxopentanoic acid,5-amino-3-oxopentanoic acid,NCCC(=O)CC(=O)O,NCCC(=O)CC(=O)O,"InChI=1/C5H9NO3/c6-2-1-4(7)3-5(8)9/h1-3,6H2,(H,8,9)",C5H9NO3.ClH,,,,,,ALFBRBITHVKDCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.255,226-681-6,5451-40-1,"2,6-dichloro-1H-purine","2,6-dichloro-1H-purine",Clc1nc2ncnc2c(Cl)[nH]1,Clc1nc2ncnc2c(Cl)[nH]1,"InChI=1/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)",C5H2Cl2N4,,,,,,RMFWVOLULURGJI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.260,226-686-3,5451-80-9,Heptyl valerate,heptyl valerate,CCCCCCCOC(=O)CCCC,CCCCCCCOC(=O)CCCC,"InChI=1/C12H24O2/c1-3-5-7-8-9-11-14-12(13)10-6-4-2/h3-11H2,1-2H3",C12H24O2,,,,,,YJARPRLGQQFGOI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.100,210-009-3,601-88-7,"1,3-dichloro-2-nitrobenzene","1,3-dichloro-2-nitrobenzene",[O-][N+](=O)c1c(Cl)cccc1Cl,[O-][N+](=O)c1c(Cl)cccc1Cl,InChI=1/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,C6H3Cl2NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18028,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.100,VITSNECNFNNVQB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.101,210-010-9,601-89-8,2-nitroresorcinol,"2-nitrobenzene-1,3-diol",Oc1cccc(O)c1[N+](=O)[O-],Oc1cccc(O)c1[N+](=O)[O-],"InChI=1/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H",C6H5NO4,,,,,,ZLCPKMIJYMHZMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.104,210-014-0,602-09-5,"1,1'-binaphthyl-2,2'-diol","1,1'-binaphthalene-2,2'-diol",Oc1ccc2ccccc2c1c3c(O)ccc4ccccc34,Oc1ccc2ccccc2c1c3c(O)ccc4ccccc34,"InChI=1/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H",C20H14O2,,,,,,PPTXVXKCQZKFBN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.420,207-060-9,429-67-4,"2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)cyclotetrasiloxane","2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1,C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1,"InChI=1/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3",C16H28F12O4Si4,,,,,,XOVNCWWRDSAYNE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.424,207-065-6,430-58-0,"1,2-dichloro-1-fluoroethylene","1,2-dichloro-1-fluoroethene",F\\C(=C/Cl)\\Cl,F\C(=C/Cl)\Cl,InChI=1/C2HCl2F/c3-1-2(4)5/h1H,C2HCl2F,,,,,,LWDGFGTYBDRKHU-UPHRSURJSA-N,,,,,,,,,,,
100.006.431,207-072-4,431-46-9,"2,2,2-trifluoro-1-methoxyethanol","2,2,2-trifluoro-1-methoxyethanol",COC(O)C(F)(F)F,COC(O)C(F)(F)F,"InChI=1/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3",C3H5F3O2,,,,,,GWTBCUWZAVMAQV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.432,207-074-5,431-47-0,Methyl trifluoroacetate,methyl trifluoroacetate,COC(=O)C(F)(F)F,COC(=O)C(F)(F)F,"InChI=1/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3",C3H3F3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17397,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.432,VMVNZNXAVJHNDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.435,207-077-1,431-71-0,Pentafluoroacetone,"1,1,1,3,3-pentafluoroacetone",FC(F)C(=O)C(F)(F)F,FC(F)C(=O)C(F)(F)F,"InChI=1/C3HF5O/c4-2(5)1(9)3(6,7)8/h2H",C3HF5O,,,,,,WQAWXRFLNDAOON-UHFFFAOYSA-N,,,,,,,,,,,
100.006.442,207-085-5,433-06-7,"2,2,2-trifluoroethyl p-toluenesulphonate","2,2,2-trifluoroethyl 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)OCC(F)(F)F,Cc1ccc(cc1)S(=O)(=O)OCC(F)(F)F,"InChI=1/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3",C9H9F3O3S,,,,,,IGKCQDUYZULGBM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.444,207-087-6,433-27-2,"1-ethoxy-2,2,2-trifluoroethanol","1-ethoxy-2,2,2-trifluoroethanol",CCOC(O)C(F)(F)F,CCOC(O)C(F)(F)F,"InChI=1/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3",C4H7F3O2,,,,,,KLXJPQNHFFMLIG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.445,207-088-1,433-28-3,Vinyl trifluoroacetate,vinyl trifluoroacetate,FC(F)(F)C(=O)OC=C,FC(F)(F)C(=O)OC=C,"InChI=1/C4H3F3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2",C4H3F3O2,,,,,,ZBGRMWIREQJHPK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.451,207-094-4,433-98-7,2-nitrobenzenesulphonyl fluoride,2-nitrobenzenesulfonyl fluoride,[O-][N+](=O)c1ccccc1S(=O)(=O)F,[O-][N+](=O)c1ccccc1S(=O)(=O)F,"InChI=1/C6H4FNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H",C6H4FNO4S,,,,,,HSQIQAVSSNKMBM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.452,207-096-5,434-03-7,Ethisterone,17-hydroxypregn-4-en-20-yn-3-one,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C,"InChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3",C21H28O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2184,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.452,CHNXZKVNWQUJIB-CEGNMAFCSA-N,,,,,,,,,,,
100.006.455,207-099-1,434-13-9,Lithocholic acid,3-hydroxycholan-24-oic acid,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)",C24H40O3,,,,,,SMEROWZSTRWXGI-HVATVPOCSA-N,,,,,,,,,,,
100.006.456,207-100-5,434-16-2,"7,8-didehydrocholesterol","cholesta-5,7-dien-3-ol",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3",C27H44O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11283,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.456,UCTLRSWJYQTBFZ-DDPQNLDTSA-N,,,,,,,,,,,
100.006.457,207-101-0,434-22-0,Nandrolone,17-hydroxyestr-4-en-3-one,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O,"InChI=1/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3",C18H26O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12038,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.457,NPAGDVCDWIYMMC-IZPLOLCNSA-N,,,,,,,,,,,
100.006.458,207-102-6,434-43-5,Pentorex,2-methyl-3-phenylbutan-2-amine,CC(c1ccccc1)C(C)(C)N,CC(c1ccccc1)C(C)(C)N,"InChI=1/C11H17N/c1-9(11(2,3)12)10-7-5-4-6-8-10/h4-9H,12H2,1-3H3",C11H17N,,,,,,UMWAUEZOGHNSCH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.511,209-361-0,573-83-1,Potassium picrate,"potassium 2,4,6-trinitrophenolate",[K+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[K+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O7.K/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;/q;+1/p-1",C6H3N3O7.K,,,,,,RBGOCSKFMWMTRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.008.516,209-366-8,574-09-4,"2-ethoxy-1,2-diphenylethan-1-one","2-ethoxy-1,2-diphenylethanone",CCOC(C(=O)c1ccccc1)c2ccccc2,CCOC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C16H16O2/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3",C16H16O2,,,,,,KMNCBSZOIQAUFX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.522,209-373-6,574-66-3,Benzophenone oxime,diphenylmethanone oxime,ON=C(c1ccccc1)c2ccccc2,ON=C(c1ccccc1)c2ccccc2,"InChI=1/C13H11NO/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,15H",C13H11NO,,,,,,DNYZBFWKVMKMRM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.524,209-375-7,574-81-2,"3,7-dinitrophenothiazine 5-oxide","3,7-dinitro-10H-phenothiazine 5-oxide",[O-][N+](=O)c1ccc2Nc3ccc(cc3S(=O)c2c1)[N+](=O)[O-],[O-][N+](=O)c1ccc2Nc3ccc(cc3S(=O)c2c1)[N+](=O)[O-],"InChI=1/C12H7N3O5S/c16-14(17)7-1-3-9-11(5-7)21(20)12-6-8(15(18)19)2-4-10(12)13-9/h1-6,13H",C12H7N3O5S,,,,,,VCYRBORHWHUNIK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.786,207-462-4,473-34-7,"N,N-dichlorotoluene-4-sulphonamide","N,N-dichloro-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl,Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl,"InChI=1/C7H7Cl2NO2S/c1-6-2-4-7(5-3-6)13(11,12)10(8)9/h2-5H,1H3",C7H7Cl2NO2S,,,,,,ARGDYOIRHYLIMT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.789,207-466-6,473-54-1,"2,6,6-trimethylbicyclo[3.1.1]heptane-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol",CC1(O)CCC2CC1C2(C)C,CC1(O)CCC2CC1C2(C)C,"InChI=1/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,YYWZKGZIIKPPJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.797,207-475-5,473-98-3,"Lup-20(29)-ene-3,28-diol, (3ß)-","lup-20(29)-ene-3,28-diol",CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12,CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12,"InChI=1/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3",C30H50O2,,,,,,FVWJYYTZTCVBKE-ROUWMTJPSA-N,,,,,,,,,,,
100.006.799,207-477-6,474-07-7,"7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol","7,11b-dihydroindeno[2,1-c]chromene-3,6a,9,10(6H)-tetrol",Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1,Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1,"InChI=1/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2",C16H14O5,,,,,,UWHUTZOCTZJUKC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.808,207-487-0,474-69-1,"9-ß,10-a-ergosta-5,7,22-trien-3-ß-ol","ergosta-5,7,22-trien-3-ol",CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3",C28H44O,,,,,,DNVPQKQSNYMLRS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.809,207-488-6,474-86-2,"3-hydroxyoestra-1,3,5(10),7-tetraen-17-one","3-hydroxyestra-1,3,5(10),7-tetraen-17-one",C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CCC2=O,C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CCC2=O,"InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3",C18H20O2,,,,,,WKRLQDKEXYKHJB-HFTRVMKXSA-N,,,,,,,,,,,
100.006.810,207-489-1,474-98-6,2-oxobornane-3-carboxylic acid,"4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylic acid",CC1(C)C2CCC1(C)C(=O)C2C(=O)O,CC1(C)C2CCC1(C)C(=O)C2C(=O)O,"InChI=1/C11H16O3/c1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)",C11H16O3,,,,,,XNMVAVGXJZFTEH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.827,207-508-3,476-66-4,Ellagic acid,"2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione",Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34,Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34,"InChI=1/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H",C14H6O8,,,,,,AFSDNFLWKVMVRB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.828,207-509-9,476-70-0,Boldine--chloroform,"1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol",COc1cc2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O,COc1cc2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O,"InChI=1/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3",C19H21NO4,,,,,,LZJRNLRASBVRRX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.619,208-379-6,525-68-8,Galipine,"2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline",COc1ccc(CCc2cc(OC)c3ccccc3n2)cc1OC,COc1ccc(CCc2cc(OC)c3ccccc3n2)cc1OC,"InChI=1/C20H21NO3/c1-22-18-11-9-14(12-20(18)24-3)8-10-15-13-19(23-2)16-6-4-5-7-17(16)21-15/h4-7,9,11-13H,8,10H2,1-3H3",C20H21NO3,,,,,,XYXVQWAPEQXRET-UHFFFAOYSA-N,,,,,,,,,,,
100.007.627,208-388-5,526-31-8,N-methyl-L-tryptophan,N-methyl-L-tryptophan,CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)",C12H14N2O2,,,,,,CZCIKBSVHDNIDH-NSHDSACASA-N,,,,,,,,,,,
100.008.156,208-970-9,549-56-4,Quinine hydrogen sulphate,6'-methoxycinchonan-9-ol sulfate (salt),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O,"InChI=1/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)",C20H24N2O2.H2O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11305,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.156,AKYHKWQPZHDOBW-DSXUQNDKSA-N,,,,,,,,,,,
100.008.157,208-971-4,549-59-7,"Tris[(8a,9R)-6'-methoxycinchonan-9-ol] bis(arsenate)",arsenic acid - 6'-methoxycinchonan-9-ol (2:3),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.COc9ccc%10nccc([C@@H](O)[C@@H]%11C[C@@H]%12CCN%11C[C@@H]%12C=C)c%10c9.O[As](=O)(O)O.O[As](=O)(O)O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.COc9ccc%10nccc([C@@H](O)[C@@H]%11C[C@@H]%12CCN%11C[C@@H]%12C=C)c%10c9.O[As](=O)(O)O.O[As](=O)(O)O,"InChI=1/3C20H24N2O2.2AsH3O4/c3*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*2-1(3,4)5/h3*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H3,2,3,4,5)",C20H24N2O2.2/3AsH3O4,,,,,,CDTYBBCOIQJQRO-INGJVHGESA-N,,,,,,,,,,,
100.006.471,207-116-2,438-22-2,(5a).-androstane,androstane,C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC2,C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC2,"InChI=1/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3",C19H32,,,,,,QZLYKIGBANMMBK-UGCZWRCOSA-N,,,,,,,,,,,
100.006.474,207-119-9,438-60-8,Protriptyline,"3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-amine",CNCCCC1c2ccccc2C=Cc3ccccc13,CNCCCC1c2ccccc2C=Cc3ccccc13,"InChI=1/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3",C19H21N,,,,,,BWPIARFWQZKAIA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.477,207-123-0,440-17-5,Trifluoperazine dihydrochloride,10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine dihydrochloride,Cl.Cl.CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,Cl.Cl.CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H",C21H24F3N3S.2ClH,,,,,,BXDAOUXDMHXPDI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.480,207-126-7,440-60-8,"2,3,4,5,6-pentafluorobenzylic alcohol",(pentafluorophenyl)methanol,OCc1c(F)c(F)c(F)c(F)c1F,OCc1c(F)c(F)c(F)c(F)c1F,"InChI=1/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2",C7H3F5O,,,,,,PGJYYCIOYBZTPU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.481,207-127-2,441-38-3,Benzoinoxime,"2-hydroxy-1,2-diphenylethanone oxime",ON=C(C(O)c1ccccc1)c2ccccc2,ON=C(C(O)c1ccccc1)c2ccccc2,"InChI=1/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H",C14H13NO2,,,,,,WAKHLWOJMHVUJC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.483,207-129-3,442-09-1,6-fluoro-3-methylquinolin-4-ol,6-fluoro-3-methylquinolin-4-ol,Cc1cnc2ccc(F)cc2c1O,Cc1cnc2ccc(F)cc2c1O,"InChI=1/C10H8FNO/c1-6-5-12-9-3-2-7(11)4-8(9)10(6)13/h2-5H,1H3,(H,12,13)",C10H8FNO,,,,,,ONPXXNMNFDRPNV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.488,207-135-6,443-33-4,2-chloro-6-fluorobenzaldehyde oxime,2-chloro-6-fluorobenzaldehyde oxime,O\\N=C\\c1c(F)cccc1Cl,O\N=C\c1c(F)cccc1Cl,"InChI=1/C7H5ClFNO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H",C7H5ClFNO,,,,,,OBJHLLOVMKKXDI-ONNFQVAWSA-N,,,,,,,,,,,
100.006.495,207-142-4,443-86-7,3-fluoro-o-toluidine,3-fluoro-2-methylaniline,Cc1c(N)cccc1F,Cc1c(N)cccc1F,"InChI=1/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3",C7H8FN,,,,,,SLDLVGFPFFLYBM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.497,207-145-0,444-15-5,5-hydroxybarbituric acid,"5-hydroxypyrimidine-2,4,6(1H,3H,5H)-trione",OC1C(=O)NC(=O)NC1=O,OC1C(=O)NC(=O)NC1=O,"InChI=1/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h1,7H,(H2,5,6,8,9,10)",C4H4N2O4,,,,,,BVEWMNTVZPFPQI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.499,207-147-1,444-29-1,"a,a,a-trifluoro-2-iodotoluene",1-iodo-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1I,FC(F)(F)c1ccccc1I,"InChI=1/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H",C7H4F3I,,,,,,IGZGUYVVBABKOY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.500,207-148-7,444-30-4,"a,a,a-trifluoro-o-cresol",2-(trifluoromethyl)phenol,Oc1ccccc1C(F)(F)F,Oc1ccccc1C(F)(F)F,"InChI=1/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H",C7H5F3O,,,,,,ZOQOPXVJANRGJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.502,207-150-8,445-02-3,"4-bromo-a,a,a-trifluoro-o-toluidine",4-bromo-2-(trifluoromethyl)aniline,Nc1ccc(Br)cc1C(F)(F)F,Nc1ccc(Br)cc1C(F)(F)F,"InChI=1/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",C7H5BrF3N,,,,,,PHXGKHTWEOPCEW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.503,207-151-3,445-03-4,"4-chloro-a,a,a-trifluoro-o-toluidine",4-chloro-2-(trifluoromethyl)aniline,Nc1ccc(Cl)cc1C(F)(F)F,Nc1ccc(Cl)cc1C(F)(F)F,"InChI=1/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",C7H5ClF3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12399,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.503,CVINWVPRKDIGLL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.505,207-153-4,445-14-7,5-chloro-2-(trifluoromethyl)aniline,5-chloro-2-(trifluoromethyl)aniline,Nc1cc(Cl)ccc1C(F)(F)F,Nc1cc(Cl)ccc1C(F)(F)F,"InChI=1/C7H5ClF3N/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H,12H2",C7H5ClF3N,,,,,,GXMFVMMXHKXSBI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.514,207-163-9,446-32-2,4-fluoroanthranilic acid,2-amino-4-fluorobenzoic acid,Nc1cc(F)ccc1C(=O)O,Nc1cc(F)ccc1C(=O)O,"InChI=1/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)",C7H6FNO2,,,,,,LGPVTNAJFDUWLF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.846,210-830-7,624-13-5,Propyl octanoate,propyl octanoate,CCCCCCCC(=O)OCCC,CCCCCCCC(=O)OCCC,"InChI=1/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3",C11H22O2,,,,,,IDHBLVYDNJDWNO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.847,210-831-2,624-15-7,"3,7-dimethyl-2,6-octadien-1-ol","3,7-dimethylocta-2,6-dien-1-ol",C\\C(C)=C\\CCC(C)=CCO,C\C(C)=C\CCC(C)=CCO,"InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3",C10H18O,,,,,,GLZPCOQZEFWAFX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.848,210-832-8,624-16-8,Decan-1-oyl chloride,decanoyl chloride,CCCCCCCCCC(=O)Cl,CCCCCCCCCC(=O)Cl,"InChI=1/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3",C10H20O,,,,,,IPIVAXLHTVNRBS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.850,210-834-9,624-18-0,"Benzene-1,4-diamine dihydrochloride","benzene-1,4-diamine dihydrochloride",Cl.Cl.Nc1ccc(N)cc1,Cl.Cl.Nc1ccc(N)cc1,"InChI=1/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H",C6H8N2.2ClH,,,,,,IYXMNTLBLQNMLM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.855,210-840-1,624-29-3,"cis-1,4-dimethylcyclohexane","1,4-dimethylcyclohexane",C[C@@H]1CC[C@H](C)CC1,C[C@@H]1CC[C@H](C)CC1,"InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3",C8H16,,,,,,QRMPKOFEUHIBNM-OCAPTIKFSA-N,,,,,,,,,,,
100.009.858,210-843-8,624-41-9,2-methylbutyl acetate,2-methylbutyl acetate,CCC(C)COC(=O)C,CCC(C)COC(=O)C,"InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3",C7H14O2,,,,,,XHIUFYZDQBSEMF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.860,210-845-9,624-44-2,5-methylhexan-2-one oxime,5-methylhexan-2-one oxime,CC(C)CCC(C)=NO,CC(C)CCC(C)=NO,"InChI=1/C7H15NO/c1-6(2)4-5-7(3)8-9/h6,9H,4-5H2,1-3H3",C7H15NO,,,,,,ZVZUNLVAVHYXNI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.863,210-849-0,624-49-7,Dimethyl fumarate,dimethyl but-2-enedioate,COC(=O)\\C=C\\C(=O)OC,COC(=O)\C=C\C(=O)OC,"InChI=1/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3",C6H8O4,,,,,,LDCRTTXIJACKKU-ONEGZZNKSA-N,,,,,,,,,,,
100.009.877,210-864-2,624-80-6,Ethylhydrazine,ethylhydrazine,CCNN,CCNN,"InChI=1/C2H8N2/c1-2-4-3/h4H,2-3H2,1H3",C2H8N2,,,,,,WHRIKZCFRVTHJH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.882,210-870-5,624-91-9,Methyl nitrite,methyl nitrite,CON=O,CON=O,InChI=1/CH3NO2/c1-4-2-3/h1H3,CH3NO2,,,,,,BLLFVUPNHCTMSV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.885,210-873-1,624-96-4,"1,3-dichloro-3-methylbutane","1,3-dichloro-3-methylbutane",CC(C)(Cl)CCCl,CC(C)(Cl)CCCl,"InChI=1/C5H10Cl2/c1-5(2,7)3-4-6/h3-4H2,1-2H3",C5H10Cl2,,,,,,QGCOTJZDMVMLRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.887,210-875-2,625-03-6,"1,1-dimethyl-3-oxobutylammonium hydrogen oxalate",2-methyl-4-oxopentan-2-aminium hydrogen oxalate,CC(=O)CC(C)(C)[NH3+].[O-]C(=O)C(=O)[O-],CC(=O)CC(C)(C)[NH3+].[O-]C(=O)C(=O)[O-],"InChI=1/C6H13NO.C2H2O4/c1-5(8)4-6(2,3)7;3-1(4)2(5)6/h4,7H2,1-3H3;(H,3,4)(H,5,6)/p-1",C6H13NO.C2H2O4,,,,,,PABISXFQAHDPMS-UHFFFAOYSA-M,,,,,,,,,,,
100.009.894,210-883-6,625-27-4,2-methylpent-2-ene,2-methylpent-2-ene,CCC=C(C)C,CCC=C(C)C,"InChI=1/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3",C6H12,,,,,,JMMZCWZIJXAGKW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.895,210-884-1,625-28-5,3-methylbutyronitrile,3-methylbutanenitrile,CC(C)CC#N,CC(C)CC#N,"InChI=1/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3",C5H9N,,,,,,QHDRKFYEGYYIIK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.258,207-983-7,504-08-5,"1,3,5-triazine-2,4-diamine","1,3,5-triazine-2,4-diamine",Nc1ncnc(N)n1,Nc1ncnc(N)n1,"InChI=1/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)",C3H5N5,,,,,,VZXTWGWHSMCWGA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.262,207-987-9,504-24-5,4-pyridylamine,pyridin-4-amine,Nc1ccncc1,Nc1ccncc1,"InChI=1/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)",C5H6N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18840,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.262,NUKYPUAOHBNCPY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.263,207-988-4,504-29-0,2-pyridylamine,pyridin-2-amine,Nc1ccccn1,Nc1ccccn1,"InChI=1/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)",C5H6N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5332,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.263,ICSNLGPSRYBMBD-UHFFFAOYSA-N,Positive,SM801201,[M+H]+,HCD35,95.0603:78.0338:67.0543,CASMI_2016,,,,,
100.007.274,208-000-4,504-77-8,"4,5-dihydrooxazole","4,5-dihydro-1,3-oxazole",C1CN=CO1,C1CN=CO1,"InChI=1/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2",C3H5NO,,,,,,IMSODMZESSGVBE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.283,208-010-9,505-48-6,Suberic acid,suberic acid,OC(=O)CCCCCCC(=O)O,OC(=O)CCCCCCC(=O)O,"InChI=1/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",C8H14O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18691,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.283,TYFQFVWCELRYAO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.284,208-011-4,505-52-2,Tridecanedioic acid,tridecanedioic acid,OC(=O)CCCCCCCCCCCC(=O)O,OC(=O)CCCCCCCCCCCC(=O)O,"InChI=1/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)",C13H24O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5931,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.284,DXNCZXXFRKPEPY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.287,208-015-6,505-65-7,"1,3-dioxepane","1,3-dioxepane",C1CCOCOC1,C1CCOCOC1,InChI=1/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2,C5H10O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10231,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.287,CZLMRJZAHXYRIX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.631,208-392-7,526-53-4,ß-amino-1H-indole-3-propanol,2-amino-3-(1H-indol-3-yl)propan-1-ol,NC(CO)Cc1c[nH]c2ccccc12,NC(CO)Cc1c[nH]c2ccccc12,"InChI=1/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2",C11H14N2O,,,,,,UDQCRUSSQAXPJY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.640,208-403-5,526-98-7,L-xylo-hex-2-ulosonic acid,L-sorbosonic acid,OC[C@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O,OC[C@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O,"InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)",C6H10O7,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2059,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.640,VBUYCZFBVCCYFD-NUNKFHFFSA-N,,,,,,,,,,,
100.007.646,208-409-8,527-17-3,Tetramethyl-p-benzoquinone,"2,3,5,6-tetramethyl-1,4-benzoquinone",CC1=C(C)C(=O)C(=C(C)C1=O)C,CC1=C(C)C(=O)C(=C(C)C1=O)C,InChI=1/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3,C10H12O2,,,,,,WAMKWBHYPYBEJY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.648,208-411-9,527-21-9,Tetrafluoro-p-benzoquinone,"2,3,5,6-tetrafluoro-1,4-benzoquinone",FC1=C(F)C(=O)C(=C(F)C1=O)F,FC1=C(F)C(=O)C(=C(F)C1=O)F,InChI=1/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11,C6F4O2,,,,,,JKLYZOGJWVAIQS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.650,208-414-5,527-34-4,"Magnesium disodium bis[[R-(R*,R*)]-tartrate",-,OC(C(O)C(=O)O[Mg]OC(=O)C(O)C(O)C(=O)O[Na])C(=O)O[Na],OC(C(O)C(=O)O[Mg]OC(=O)C(O)C(O)C(=O)O[Na])C(=O)O[Na],"InChI=1/2C4H6O6.Mg.2Na/c2*5-1(3(7)8)2(6)4(9)10;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;/q;;+2;2*+1/p-4",C4H6O6.1/2Mg.Na,,,,,,NPHUXQNETWXQEM-UHFFFAOYSA-J,,,,,,,,,,,
100.007.651,208-415-0,527-35-5,"2,3,5,6-tetramethylphenol","2,3,5,6-tetramethylphenol",Cc1cc(C)c(C)c(O)c1C,Cc1cc(C)c(C)c(O)c1C,"InChI=1/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3",C10H14O,,,,,,KLAQSPUVCDBEGF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.655,208-419-2,527-60-6,"2,4,6-trimethylphenol","2,4,6-trimethylphenol",Cc1cc(C)c(O)c(C)c1,Cc1cc(C)c(O)c(C)c1,"InChI=1/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3",C9H12O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17922,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.655,BPRYUXCVCCNUFE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.660,208-425-5,527-73-1,2-nitroimidazole,2-nitro-1H-imidazole,[O-][N+](=O)c1ncc[nH]1,[O-][N+](=O)c1ncc[nH]1,"InChI=1/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)",C3H3N3O2,,,,,,YZEUHQHUFTYLPH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.661,208-426-0,527-84-4,o-cymene,1-isopropyl-2-methylbenzene,CC(C)c1ccccc1C,CC(C)c1ccccc1C,"InChI=1/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",C10H14,,,,,,WWRCMNKATXZARA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.662,208-427-6,527-85-5,o-toluamide,2-methylbenzamide,Cc1ccccc1C(=O)N,Cc1ccccc1C(=O)N,"InChI=1/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)",C8H9NO,,,,,,XXUNIGZDNWWYED-UHFFFAOYSA-N,,,,,,,,,,,
100.007.663,208-428-1,527-89-9,Dithiosalicylic acid,2-hydroxybenzenecarbodithioic acid,Oc1ccccc1C(=S)S,Oc1ccccc1C(=S)S,"InChI=1/C7H6OS2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",C7H6OS2,,,,,,AJQLEJAVGARHGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.667,208-432-3,528-44-9,"Benzene-1,2,4-tricarboxylic acid","benzene-1,2,4-tricarboxylic acid",OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O,OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O,"InChI=1/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",C9H6O6,,,,,,ARCGXLSVLAOJQL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.669,208-434-4,528-48-3,"3,3',4',7-tetrahydroxyflavone","2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one",OC1=C(Oc2cc(O)ccc2C1=O)c3ccc(O)c(O)c3,OC1=C(Oc2cc(O)ccc2C1=O)c3ccc(O)c(O)c3,"InChI=1/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H",C15H10O6,,,,,,XHEFDIBZLJXQHF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.670,208-436-5,528-50-7,D-cellobiose,4-O-hexopyranosylhexose,OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O,OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O,"InChI=1/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2",C12H22O11,,,,,,DKXNBNKWCZZMJT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.001,207-700-7,489-78-1,8-amino-4-hydroxynaphthalene-2-sulphonic acid,8-amino-4-hydroxynaphthalene-2-sulfonic acid,Nc1cccc2c(O)cc(cc12)S(=O)(=O)O,Nc1cccc2c(O)cc(cc12)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,GGZZISOUXJHYOY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.002,207-701-2,489-84-9,"7-isopropyl-1,4-dimethylazulene","7-isopropyl-1,4-dimethylazulene",CC(C)c1ccc(C)c2ccc(C)c2c1,CC(C)c1ccc(C)c2ccc(C)c2c1,"InChI=1/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",C15H18,,,,,,FWKQNCXZGNBPFD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.003,207-702-8,489-86-1,"2-((3S,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)propan-2-ol","2-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-ol",C[C@H]1CCC(CC2=C1CC[C@@H]2C)C(C)(C)O,C[C@H]1CCC(CC2=C1CC[C@@H]2C)C(C)(C)O,"InChI=1/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3",C15H26O,,,,,,TWVJWDMOZJXUID-NDQFZYFBSA-N,,,,,,,,,,,
100.007.004,207-703-3,489-98-5,"2,4,6-trinitroaniline","2,4,6-trinitroaniline",Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N4O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,7H2",C6H4N4O6,,,,,,IAHOUQOWMXVMEH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.006,207-705-4,490-11-9,"Pyridine-3,4-dicarboxylic acid","pyridine-3,4-dicarboxylic acid",OC(=O)c1ccncc1C(=O)O,OC(=O)c1ccncc1C(=O)O,"InChI=1/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",C7H5NO4,,,,,,MUYSADWCWFFZKR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.517,207-167-0,446-35-5,"1,3-difluoro-4-nitrobenzene","2,4-difluoro-1-nitrobenzene",[O-][N+](=O)c1ccc(F)cc1F,[O-][N+](=O)c1ccc(F)cc1F,InChI=1/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,C6H3F2NO2,,,,,,RJXOVESYJFXCGI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.905,210-895-1,625-48-9,2-nitroethanol,2-nitroethanol,OCC[N+](=O)[O-],OCC[N+](=O)[O-],"InChI=1/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2",C2H5NO3,,,,,,KIPMDPDAFINLIV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.909,210-899-3,625-53-6,Ethyl-2-thiourea,1-ethylthiourea,CCNC(=S)N,CCNC(=S)N,"InChI=1/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)",C3H8N2S,,,,,,GMEHFXXZSWDEDB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.911,210-901-2,625-55-8,Isopropyl formate,isopropyl formate,CC(C)OC=O,CC(C)OC=O,"InChI=1/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3",C4H8O2,,,,,,RMOUBSOVHSONPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.919,210-910-1,625-77-4,Diacetamide,N-acetylacetamide,CC(=O)NC(=O)C,CC(=O)NC(=O)C,"InChI=1/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)",C4H7NO2,,,,,,ZSBDPRIWBYHIAF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.926,210-918-5,625-95-6,3-iodotoluene,1-iodo-3-methylbenzene,Cc1cccc(I)c1,Cc1cccc(I)c1,"InChI=1/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",C7H7I,,,,,,VLCPISYURGTGLP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.932,210-924-8,626-03-9,4-hydroxy-2-pyridone,"pyridine-2,4-diol",Oc1ccnc(O)c1,Oc1ccnc(O)c1,"InChI=1/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)",C5H5NO2,,,,,,ZEZJPIDPVXJEME-UHFFFAOYSA-N,,,,,,,,,,,
100.009.934,210-926-9,626-05-1,"2,6-dibromopyridine","2,6-dibromopyridine",Brc1cccc(Br)n1,Brc1cccc(Br)n1,InChI=1/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H,C5H3Br2N,,,,,,FEYDZHNIIMENOB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.938,210-931-6,626-15-3,"a,a'-dibromo-m-xylene","1,3-bis(bromomethyl)benzene",BrCc1cccc(CBr)c1,BrCc1cccc(CBr)c1,"InChI=1/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2",C8H8Br2,,,,,,OXHOPZLBSSTTBU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.940,210-933-7,626-17-5,"Benzene-1,3-dicarbonitrile",isophthalonitrile,N#Cc1cccc(c1)C#N,N#Cc1cccc(c1)C#N,InChI=1/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,C8H4N2,,,,,,LAQPNDIUHRHNCV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.943,210-936-3,626-22-2,m-phenylenediacetonitrile,"2,2'-(1,3-phenylene)diacetonitrile",N#CCc1cccc(CC#N)c1,N#CCc1cccc(CC#N)c1,"InChI=1/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2",C10H8N2,,,,,,GRPFZJNUYXIVSL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.946,210-940-5,626-27-7,Heptanoic anhydride,heptanoic anhydride,CCCCCCC(=O)OC(=O)CCCCCC,CCCCCCC(=O)OC(=O)CCCCCC,"InChI=1/C14H26O3/c1-3-5-7-9-11-13(15)17-14(16)12-10-8-6-4-2/h3-12H2,1-2H3",C14H26O3,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18672,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.946,DAPZDAPTZFJZTO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.951,210-945-2,626-36-8,Ethyl (aminocarbonyl)carbamate,ethyl carbamoylcarbamate,CCOC(=O)NC(=O)N,CCOC(=O)NC(=O)N,"InChI=1/C4H8N2O3/c1-2-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)",C4H8N2O3,,,,,,PIHPSKJRLDSJPX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.955,210-949-4,626-48-2,6-methyluracil,"6-methylpyrimidine-2,4(1H,3H)-dione",CC1=CC(=O)NC(=O)N1,CC1=CC(=O)NC(=O)N1,"InChI=1/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",C5H6N2O2,,,,,,SHVCSCWHWMSGTE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.317,208-048-6,506-64-9,Silver cyanide,silver(1+) cyanide,[Ag+].[C-]#N,[Ag+].[C-]#N,InChI=1/CN.Ag/c1-2;/q-1;+1,CAgN,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18558,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.317,LFAGQMCIGQNPJG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.324,208-055-4,506-82-1,Dimethylcadmium,dimethylcadmium,C[Cd]C,C[Cd]C,InChI=1/2CH3.Cd/h2*1H3;/rC2H6Cd/c1-3-2/h1-2H3,C2H6Cd,,,,,,KVVGSXJGEUULNM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.327,208-059-6,506-89-8,Urea hydrochloride,urea hydrochloride,Cl.NC(=O)N,Cl.NC(=O)N,"InChI=1/CH4N2O.ClH/c2-1(3)4;/h(H4,2,3,4);1H",CH4N2O.ClH,,,,,,VYWQTJWGWLKBQA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.335,208-068-5,507-25-5,Tetraiodomethane,tetraiodomethane,IC(I)(I)I,IC(I)(I)I,"InChI=1/CI4/c2-1(3,4)5",CI4,,,,,,JOHCVVJGGSABQY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.339,208-072-7,507-40-4,tert-butyl hypochlorite,tert-butyl hypochlorite,CC(C)(C)OCl,CC(C)(C)OCl,"InChI=1/C4H9ClO/c1-4(2,3)6-5/h1-3H3",C4H9ClO,,,,,,IXZDIALLLMRYOU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.340,208-073-2,507-42-6,"2,2,2-tribromoethane-1,1-diol","2,2,2-tribromoethane-1,1-diol",OC(O)C(Br)(Br)Br,OC(O)C(Br)(Br)Br,"InChI=1/C2H3Br3O2/c3-2(4,5)1(6)7/h1,6-7H",C2H3Br3O2,,,,,,NJHVMXFNIZTTBV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.264,226-691-0,5451-95-6,Nonyl benzoate,nonyl benzoate,CCCCCCCCCOC(=O)c1ccccc1,CCCCCCCCCOC(=O)c1ccccc1,"InChI=1/C16H24O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3",C16H24O2,,,,,,VUHMHACHBVTPMF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.268,226-695-2,5452-75-5,Ethyl cyclohexylacetate,ethyl cyclohexylacetate,CCOC(=O)CC1CCCCC1,CCOC(=O)CC1CCCCC1,"InChI=1/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3",C10H18O2,,,,,,ZBDAMDWKXGTKBT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.272,226-699-4,5453-85-0,Ethyl cyclopentanecarboxylate,ethyl cyclopentanecarboxylate,CCOC(=O)C1CCCC1,CCOC(=O)C1CCCC1,"InChI=1/C8H14O2/c1-2-10-8(9)7-5-3-4-6-7/h7H,2-6H2,1H3",C8H14O2,,,,,,UWSJCCUODNDXOT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.275,226-702-9,6/12/5454,Decyl valerate,decyl valerate,CCCCCCCCCCOC(=O)CCCC,CCCCCCCCCCOC(=O)CCCC,"InChI=1/C15H30O2/c1-3-5-7-8-9-10-11-12-14-17-15(16)13-6-4-2/h3-14H2,1-2H3",C15H30O2,,,,,,CNLMHVUZVNKYJA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.277,226-705-5,5454-21-7,Benzyl heptanoate,benzyl heptanoate,CCCCCCC(=O)OCc1ccccc1,CCCCCCC(=O)OCc1ccccc1,"InChI=1/C14H20O2/c1-2-3-4-8-11-14(15)16-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3",C14H20O2,,,,,,UEDDAJQIHUEZCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.242,228-866-7,6369-23-9,"N-(4-benzamido-2,5-dimethoxyphenyl)-3-oxo-3-phenylpropionamide","N-{2,5-dimethoxy-4-[(3-oxo-3-phenylpropanoyl)amino]phenyl}benzamide",COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC(=O)c3ccccc3,COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC(=O)c3ccccc3,"InChI=1/C24H22N2O5/c1-30-21-14-19(26-24(29)17-11-7-4-8-12-17)22(31-2)13-18(21)25-23(28)15-20(27)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)",C24H22N2O5,,,,,,UTZHFYLQHOUWFE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.247,228-871-4,6369-59-1,2-methyl-p-phenylenediamine sulphate,"2-methylbenzene-1,4-diamine sulfate",Cc1cc(N)ccc1N.OS(=O)(=O)O,Cc1cc(N)ccc1N.OS(=O)(=O)O,"InChI=1/C7H10N2.H2O4S/c1-5-4-6(8)2-3-7(5)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)",C7H10N2.xH2O4S,,,,,,KZTWOUOZKZQDMN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.249,228-874-0,6369-97-7,"Dimethylammonium 2,4,5-trichlorophenoxyacetate","N-methylmethanaminium (2,4,5-trichlorophenoxy)acetate",C[NH2+]C.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,C[NH2+]C.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3.C2H7N/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;1-3-2/h1-2H,3H2,(H,12,13);3H,1-2H3",C8H5Cl3O3.C2H7N,,,,,,KDKIQPRSLMHYNN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.878,230-665-4,7251-90-3,2-butoxyethyl acrylate,2-butoxyethyl acrylate,CCCCOCCOC(=O)C=C,CCCCOCCOC(=O)C=C,"InChI=1/C9H16O3/c1-3-5-6-11-7-8-12-9(10)4-2/h4H,2-3,5-8H2,1H3",C9H16O3,,,,,,PTJDGKYFJYEAOK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.879,230-667-5,7252-50-8,Hydroxy(6-methyl-2-pyridyl)methyl 6-methyl-2-pyridyl ketone,"2-hydroxy-1,2-bis(6-methylpyridin-2-yl)ethanone",Cc1cccc(n1)C(O)C(=O)c2cccc(C)n2,Cc1cccc(n1)C(O)C(=O)c2cccc(C)n2,"InChI=1/C14H14N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,13,17H,1-2H3",C14H14N2O2,,,,,,IDUIGZZRUKXMOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.880,230-668-0,7252-53-1,(cyclopropylmethyl)ammonium chloride,cyclopropylmethanaminium chloride,[Cl-].[NH3+]CC1CC1,[Cl-].[NH3+]CC1CC1,"InChI=1/C4H9N.ClH/c5-3-4-1-2-4;/h4H,1-3,5H2;1H",C4H9N.ClH,,,,,,HXSNGAHNYZBZTH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.883,230-671-7,7252-85-9,N-benzyldinicotinoylamine,N-benzyl-N-(pyridin-3-ylcarbonyl)nicotinamide,O=C(N(Cc1ccccc1)C(=O)c2cccnc2)c3cccnc3,O=C(N(Cc1ccccc1)C(=O)c2cccnc2)c3cccnc3,"InChI=1/C19H15N3O2/c23-18(16-8-4-10-20-12-16)22(14-15-6-2-1-3-7-15)19(24)17-9-5-11-21-13-17/h1-13H,14H2",C19H15N3O2,,,,,,UVXQDNULVCVJKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.885,230-673-8,7253-67-0,2-phenyl-2-piperidinoacetamide,2-phenyl-2-piperidin-1-ylacetamide,NC(=O)C(N1CCCCC1)c2ccccc2,NC(=O)C(N1CCCCC1)c2ccccc2,"InChI=1/C13H18N2O/c14-13(16)12(11-7-3-1-4-8-11)15-9-5-2-6-10-15/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,16)",C13H18N2O,,,,,,PPRXELUQRNIPDC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.887,230-675-9,7255-89-2,1-benzyl-N-(2-nitrophenyl)piperidin-4-amine,1-benzyl-N-(2-nitrophenyl)piperidin-4-amine,[O-][N+](=O)c1ccccc1NC2CCN(Cc3ccccc3)CC2,[O-][N+](=O)c1ccccc1NC2CCN(Cc3ccccc3)CC2,"InChI=1/C18H21N3O2/c22-21(23)18-9-5-4-8-17(18)19-16-10-12-20(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2",C18H21N3O2,,,,,,YZKQBUWNKRTZQC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.897,230-686-9,7268-58-8,N-icosyldocosylamine,N-icosyldocosan-1-amine,CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCC,"InChI=1/C42H87N/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42H2,1-2H3",C42H87N,,,,,,SDGDJTPRANMWBS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.902,230-692-1,7277-87-4,"6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)naphthalene-1,3-disulphonic acid","6-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-1,3-disulfonic acid",CC1=NN(C(=O)C1)c2ccc3c(cc(cc3c2)S(=O)(=O)O)S(=O)(=O)O,CC1=NN(C(=O)C1)c2ccc3c(cc(cc3c2)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C14H12N2O7S2/c1-8-4-14(17)16(15-8)10-2-3-12-9(5-10)6-11(24(18,19)20)7-13(12)25(21,22)23/h2-3,5-7H,4H2,1H3,(H,18,19,20)(H,21,22,23)",C14H12N2O7S2,,,,,,FDUGPNDWCQRTAP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.292,208-020-3,505-79-3,3-methylthiopropyl isothiocyanate,1-isothiocyanato-3-(methylsulfanyl)propane,CSCCCN=C=S,CSCCCN=C=S,"InChI=1/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3",C5H9NS2,,,,,,LDKSCZJUIURGMW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.293,208-021-9,505-84-0,Dipropoxymethane,"1,1'-[methylenebis(oxy)]dipropane",CCCOCOCCC,CCCOCOCCC,"InChI=1/C7H16O2/c1-3-5-8-7-9-6-4-2/h3-7H2,1-2H3",C7H16O2,,,,,,HOMDJHGZAAKUQV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.297,208-026-6,506-03-6,"(S)-3-(hexadecyloxy)propane-1,2-diol","3-(hexadecyloxy)propane-1,2-diol",CCCCCCCCCCCCCCCCOC[C@@H](O)CO,CCCCCCCCCCCCCCCCOC[C@@H](O)CO,"InChI=1/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3",C19H40O3,,,,,,OOWQBDFWEXAXPB-IBGZPJMESA-N,,,,,,,,,,,
100.007.301,208-030-8,506-24-1,Octadec-9-ynoic acid,octadec-9-ynoic acid,CCCCCCCCC#CCCCCCCCC(=O)O,CCCCCCCCC#CCCCCCCCC(=O)O,"InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)",C18H32O2,,,,,,RGTIBVZDHOMOKC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.307,208-037-6,506-42-3,(E)-octadec-9-enol,octadec-9-en-1-ol,CCCCCCCC\\C=C\\CCCCCCCCO,CCCCCCCC\C=C\CCCCCCCCO,"InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3",C18H36O,,,,,,ALSTYHKOOCGGFT-MDZDMXLPSA-N,,,,,,,,,,,
100.009.108,210-018-2,602-52-8,"3,8-diamino-5-ethyl-6-phenylphenanthridinium chloride","3,8-diamino-5-ethyl-6-phenylphenanthridinium chloride",[Cl-].CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,[Cl-].CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,"InChI=1/C21H19N3.ClH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H",C21H20N3.Cl,,,,,,BITVSRNAFFZUFW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.109,210-019-8,602-55-1,9-phenylanthracene,9-phenylanthracene,c1ccc(cc1)c2c3ccccc3cc4ccccc24,c1ccc(cc1)c2c3ccccc3cc4ccccc24,InChI=1/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H,C20H14,,,,,,LUBXLGUQZVKOFP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.113,210-024-5,602-85-7,"9,10-didehydro-6-methylergoline-8ß-methanol","(6-methyl-9,10-didehydroergolin-8-yl)methanol",OC[C@@H]2/C=C1/c3cccc4ncc(C[C@H]1N(C)C2)c34,OC[C@@H]2/C=C1/c3cccc4ncc(C[C@H]1N(C)C2)c34,"InChI=1/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3",C16H18N2O,,,,,,BIXJFIJYBLJTMK-MEBBXXQBSA-N,,,,,,,,,,,
100.009.122,210-033-4,603-33-8,Triphenylbismuth,triphenylbismuthine,c1ccc(cc1)[Bi](c2ccccc2)c3ccccc3,c1ccc(cc1)[Bi](c2ccccc2)c3ccccc3,InChI=1/3C6H5.Bi/c3*1-2-4-6-5-3-1;/h3*1-5H;/rC18H15Bi/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,C18H15Bi,,,,,,ZHXAZZQXWJJBHA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.123,210-035-5,603-34-9,Triphenylamine,"N,N-diphenylaniline",c1ccc(cc1)N(c2ccccc2)c3ccccc3,c1ccc(cc1)N(c2ccccc2)c3ccccc3,InChI=1/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,C18H15N,,,,,,ODHXBMXNKOYIBV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.124,210-036-0,603-35-0,Triphenylphosphine,triphenylphosphine,c1ccc(cc1)P(c2ccccc2)c3ccccc3,c1ccc(cc1)P(c2ccccc2)c3ccccc3,InChI=1/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,C18H15P,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13659,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.124,RIOQSEWOXXDEQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.128,208-940-5,548-00-5,Ethyl biscoumacetate,ethyl bis(4-hydroxy-2-oxo-2H-chromen-3-yl)acetate,CCOC(=O)C(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O,CCOC(=O)C(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O,"InChI=1/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3",C22H16O8,,,,,,JCLHQFUTFHUXNN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.129,208-941-0,548-04-9,"1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione","1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione",Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56,Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56,"InChI=1/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3",C30H16O8,,,,,,BTXNYTINYBABQR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.137,208-949-4,548-51-6,3-isopropyl-6-methylsalicylic acid,2-hydroxy-3-isopropyl-6-methylbenzoic acid,CC(C)c1ccc(C)c(C(=O)O)c1O,CC(C)c1ccc(C)c(C(=O)O)c1O,"InChI=1/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)",C11H14O3,,,,,,FNWNGQGTFICQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.138,208-951-5,548-57-2,Lucanthone hydrochloride,1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one hydrochloride,Cl.CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12,Cl.CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12,"InChI=1/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H",C20H24N2OS.ClH,,,,,,LAOOXBLMIJHMFO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.139,208-952-0,548-61-8,"4,4',4''-methylidynetrianiline","4,4',4''-methanetriyltrianiline",Nc1ccc(cc1)C(c2ccc(N)cc2)c3ccc(N)cc3,Nc1ccc(cc1)C(c2ccc(N)cc2)c3ccc(N)cc3,"InChI=1/C19H19N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,20-22H2",C19H19N3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16399,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.139,ADUMIBSPEHFSLA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.007,207-707-5,490-17-5,"Bis[2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 2,4-diphenylcyclobutane-1,3-dicarboxylate, stereoisomer","bis[2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 2,4-diphenylcyclobutane-1,3-dicarboxylate",COC(=O)C1C(CC2CCC1N2C)OC(=O)C3C(C(C3c4ccccc4)C(=O)OC5CC6CCC(C5C(=O)OC)N6C)c7ccccc7,COC(=O)C1C(CC2CCC1N2C)OC(=O)C3C(C(C3c4ccccc4)C(=O)OC5CC6CCC(C5C(=O)OC)N6C)c7ccccc7,"InChI=1/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)34(30(33)22-13-9-6-10-14-22)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3",C38H46N2O8,,,,,,BUOSLGZEBFSUDD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.017,207-718-5,490-79-9,Gentisic acid,"2,5-dihydroxybenzoic acid",OC(=O)c1cc(O)ccc1O,OC(=O)c1cc(O)ccc1O,"InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)",C7H6O4,,,,,,WXTMDXOMEHJXQO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.021,207-722-7,490-99-3,Isomenthol,2-isopropyl-5-methylcyclohexanol,CC(C)[C@@H]1CC[C@H](C)C[C@H]1O,CC(C)[C@@H]1CC[C@H](C)C[C@H]1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,NOOLISFMXDJSKH-LPEHRKFASA-N,,,,,,,,,,,
100.007.026,207-727-4,491-07-6,Isomenthone,2-isopropyl-5-methylcyclohexanone,CC(C)C1CCC(C)CC1=O,CC(C)C1CCC(C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,NFLGAXVYCFJBMK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.028,207-730-0,491-11-2,3-chloro-4-nitrophenol,3-chloro-4-nitrophenol,Oc1ccc(c(Cl)c1)[N+](=O)[O-],Oc1ccc(c(Cl)c1)[N+](=O)[O-],"InChI=1/C6H4ClNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H",C6H4ClNO3,,,,,,DKTRZBWXGOPYIX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.031,207-733-7,491-34-9,"1,2,3,4-tetrahydro-1-methylquinoline","1-methyl-1,2,3,4-tetrahydroquinoline",CN1CCCc2ccccc12,CN1CCCc2ccccc12,"InChI=1/C10H13N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3",C10H13N,,,,,,YVBSECQAHGIWNF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.531,209-383-0,575-38-2,"Naphthalene-1,7-diol","naphthalene-1,7-diol",Oc1ccc2cccc(O)c2c1,Oc1ccc2cccc(O)c2c1,"InChI=1/C10H8O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,11-12H",C10H8O2,,,,,,ZUVBIBLYOCVYJU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.540,209-393-5,575-82-6,Methoxymethyl salicylate,methoxymethyl salicylate,COCOC(=O)c1ccccc1O,COCOC(=O)c1ccccc1O,"InChI=1/C9H10O4/c1-12-6-13-9(11)7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3",C9H10O4,,,,,,NTIBMIIYTKPBNR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.541,209-394-0,575-89-3,"2,4,6-trichlorophenoxyacetic acid","(2,4,6-trichlorophenoxy)acetic acid",OC(=O)COc1c(Cl)cc(Cl)cc1Cl,OC(=O)COc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)",C8H5Cl3O3,,,,,,KZDCLQBOHGBWOI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.544,209-397-7,576-22-7,2-bromo-m-xylene,"2-bromo-1,3-dimethylbenzene",Cc1cccc(C)c1Br,Cc1cccc(C)c1Br,"InChI=1/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3",C8H9Br,,,,,,MYMYVYZLMUEVED-UHFFFAOYSA-N,,,,,,,,,,,
100.008.553,209-406-4,577-11-7,Docusate sodium,"sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate",[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,"InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1",C20H38O7S.Na,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16066,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.553,APSBXTVYXVQYAB-UHFFFAOYSA-M,,,,,,,,,,,
100.008.562,209-416-9,577-85-5,3-hydroxyflavone,3-hydroxy-2-phenyl-4H-chromen-4-one,OC1=C(Oc2ccccc2C1=O)c3ccccc3,OC1=C(Oc2ccccc2C1=O)c3ccccc3,"InChI=1/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H",C15H10O3,,,,,,HVQAJTFOCKOKIN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.566,209-421-6,578-36-9,Potassium salicylate,potassium salicylate,[K+].Oc1ccccc1C(=O)[O-],[K+].Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.K/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",C7H6O3.K,,,,,,FRMWBRPWYBNAFB-UHFFFAOYSA-M,,,,,,,,,,,
100.008.570,209-425-8,578-57-4,2-bromoanisole,1-bromo-2-methoxybenzene,COc1ccccc1Br,COc1ccccc1Br,"InChI=1/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",C7H7BrO,,,,,,HTDQSWDEWGSAMN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.571,209-426-3,578-58-5,2-methylanisole,1-methoxy-2-methylbenzene,COc1ccccc1C,COc1ccccc1C,"InChI=1/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3",C8H10O,,,,,,DTFKRVXLBCAIOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.575,209-431-0,578-76-7,"2-amino-1,7-dihydro-7-methyl-6H-purin-6-one","2-amino-7-methyl-1,7-dihydro-6H-purin-6-one",Cn1cnc2N=C(N)NC(=O)c12,Cn1cnc2N=C(N)NC(=O)c12,"InChI=1/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)",C6H7N5O,,,,,,FZWGECJQACGGTI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.355,208-090-5,508-96-3,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 3,3-dimethylbutanoate",CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C27H40O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h12,18-20,23,29,32H,6-11,13-15H2,1-5H3",C27H40O6,,,,,,FNFPHNZQOKBKHN-KAJVQRHHSA-N,,,,,,,,,,,
100.007.360,208-095-2,509-15-9,Gelsemine,"1-methyl-3-vinyl-2,3,3a,7,8,8a-hexahydro-1H,5H-spiro[3,8,5-(ethane[1,1,2]triyl)oxepino[4,5-b]pyrrole-4,3'-indol]-2'(1'H)-one",CN1CC2(C=C)C3CC4OCC3C1C2[C@@]45C(=O)Nc6ccccc56,CN1CC2(C=C)C3CC4OCC3C1C2[C@@]45C(=O)Nc6ccccc56,"InChI=1/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)",C20H22N2O2,,,,,,NFYYATWFXNPTRM-VUMTWQQNSA-N,,,,,,,,,,,
100.007.363,208-098-9,509-42-2,Strychnine phosphate,strychnidin-10-one phosphate,OP(O)(=O)O.O=C1C[C@@H]2OC\\C=C5\\CN3CC[C@]64c7ccccc7N1[C@H]6[C@H]2[C@H]5C[C@H]34,OP(O)(=O)O.O=C1C[C@@H]2OC\C=C5\CN3CC[C@]64c7ccccc7N1[C@H]6[C@H]2[C@H]5C[C@H]34,"InChI=1/C21H22N2O2.H3O4P/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h1-5,13,16-17,19-20H,6-11H2;(H3,1,2,3,4)",C21H22N2O2.H3O4P,,,,,,VNIVZTFZIJTNDV-ZEYGOCRCSA-N,,,,,,,,,,,
100.008.161,208-976-1,549-68-8,Octaverine,"6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline",CCOc1cc(cc(OCC)c1OCC)c2nccc3cc(OC)c(OC)cc23,CCOc1cc(cc(OCC)c1OCC)c2nccc3cc(OC)c(OC)cc23,"InChI=1/C23H27NO5/c1-6-27-20-12-16(13-21(28-7-2)23(20)29-8-3)22-17-14-19(26-5)18(25-4)11-15(17)9-10-24-22/h9-14H,6-8H2,1-5H3",C23H27NO5,,,,,,NGIFHAUKQGDVSR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.166,208-981-9,550-33-4,9-ß-D-ribofuranosyl-9H-purine,9-beta-D-ribofuranosyl-9H-purine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cncnc23,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cncnc23,"InChI=1/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2",C10H12N4O4,,,,,,MRWXACSTFXYYMV-FDDDBJFASA-N,,,,,,,,,,,
100.008.168,208-984-5,550-60-7,1-nitro-2-naphthol,1-nitro-2-naphthol,Oc1ccc2ccccc2c1[N+](=O)[O-],Oc1ccc2ccccc2c1[N+](=O)[O-],"InChI=1/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H",C10H7NO3,,,,,,SSHIVHKMGVBXTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.175,208-991-3,551-08-6,3-butylidenephthalide,3-butylidene-2-benzofuran-1(3H)-one,O=C1OC(=CCCC)c2ccccc12,O=C1OC(=CCCC)c2ccccc12,"InChI=1/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3",C12H12O2,,,,,,WMBOCUXXNSOQHM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.181,208-998-1,551-64-4,Zinc tartrate,zinc tartarate,[Zn+2].OC(C(O)C(=O)[O-])C(=O)[O-],[Zn+2].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Zn/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2",C4H6O6.Zn,,,,,,VRGNUPCISFMPEM-UHFFFAOYSA-L,,,,,,,,,,,
100.008.184,209-001-2,551-92-8,Dimetridazole,"1,2-dimethyl-5-nitro-1H-imidazole",Cc1ncc([N+](=O)[O-])n1C,Cc1ncc([N+](=O)[O-])n1C,"InChI=1/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3",C5H7N3O2,,,,,,IBXPYPUJPLLOIN-UHFFFAOYSA-N,Positive,mzcloud:2702,[M+H]+,HCD_Averaged,112.06312:96.06819:95.06037:81.04473:68.04947:56.04947:54.03383:55.04166,HighChem,,,,,
100.008.185,209-002-8,551-93-9,2'-aminoacetophenone,1-(2-aminophenyl)ethanone,CC(=O)c1ccccc1N,CC(=O)c1ccccc1N,"InChI=1/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3",C8H9NO,,,,,,GTDQGKWDWVUKTI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.186,209-003-3,552-02-3,"[1aR-(1aa,4ß,4aß,7a,7aß,7ba)]-decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol","1,1,3,6-tetramethyldecahydro-1H-cyclopropa[e]azulen-6-ol",CC1CC2CC(C)(O)CC2C3C(C1)C3(C)C,CC1CC2CC(C)(O)CC2C3C(C1)C3(C)C,"InChI=1/C15H26O/c1-9-5-10-7-15(4,16)8-11(10)13-12(6-9)14(13,2)3/h9-13,16H,5-8H2,1-4H3",C15H26O,,,,,,OXFHFFFSDUNQDV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.190,209-008-0,552-30-7,"Benzene-1,2,4-tricarboxylic acid 1,2-anhydride","1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid",OC(=O)c1ccc2C(=O)OC(=O)c2c1,OC(=O)c1ccc2C(=O)OC(=O)c2c1,"InChI=1/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)",C9H4O5,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15095,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.190,SRPWOOOHEPICQU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.192,209-010-1,552-37-4,Sodium anthranilate,sodium 2-aminobenzoate,[Na+].Nc1ccccc1C(=O)[O-],[Na+].Nc1ccccc1C(=O)[O-],"InChI=1/C7H7NO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",C7H7NO2.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8262,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.192,HCKKSLZDSNNSTL-UHFFFAOYSA-M,,,,,,,,,,,
100.008.193,209-011-7,552-38-5,Lithium salicylate,lithium salicylate,[Li+].Oc1ccccc1C(=O)[O-],[Li+].Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",C7H6O3.Li,,,,,,PSBOOKLOXQFNPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.008.196,209-014-3,552-46-5,1-naphthylammonium chloride,naphthalen-1-aminium chloride,[Cl-].[NH3+]c1cccc2ccccc12,[Cl-].[NH3+]c1cccc2ccccc12,"InChI=1/C10H9N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;1H",C10H9N.ClH,,,,,,FOKKJVHTXPJHEN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.205,209-024-8,552-86-3,"2,2'-furoin","1,2-di-2-furyl-2-hydroxyethanone",OC(C(=O)c1occc1)c2occc2,OC(C(=O)c1occc1)c2occc2,"InChI=1/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H",C10H8O4,,,,,,MIJRFWVFNKQQDK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.207,209-026-9,552-92-1,Toloconium metilsulfate,"N,N,N-trimethyl-1-(4-methylphenyl)dodecan-1-aminium methyl sulfate",CCCCCCCCCCCC(c1ccc(C)cc1)[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCC(c1ccc(C)cc1)[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C22H40N.CH4O4S/c1-6-7-8-9-10-11-12-13-14-15-22(23(3,4)5)21-18-16-20(2)17-19-21;1-5-6(2,3)4/h16-19,22H,6-15H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C22H40N.CH3O4S,,,,,,RCIULPORFWIVEE-UHFFFAOYSA-M,,,,,,,,,,,
100.027.907,230-697-9,7280-83-3,"Purine-2,6-diyldiamine sulphate","9H-purine-2,6-diamine sulfate",Nc1nc(N)c2nc[nH]c2n1.OS(=O)(=O)O,Nc1nc(N)c2nc[nH]c2n1.OS(=O)(=O)O,"InChI=1/C5H6N6.H2O4S/c6-3-2-4(9-1-8-2)11-5(7)10-3;1-5(2,3)4/h1H,(H5,6,7,8,9,10,11);(H2,1,2,3,4)",C5H6N6.xH2O4S,,,,,,KYYLASPNTMEZTB-UHFFFAOYSA-N,,,,,,,,,,,
100.029.101,232-011-3,7783-58-6,Tetrafluorogermane,tetrafluorogermane,F[Ge](F)(F)F,F[Ge](F)(F)F,"InChI=1/F4Ge/c1-5(2,3)4",F4Ge,,,,,,PPMWWXLUCOODDK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.109,232-020-2,7783-68-8,Niobium pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[Nb+2],[F-].[F-].[F-].[F-].[F-].[Nb+2],InChI=1/5FH.Nb/h5*1H;/q;;;;;+2/p-5,F5Nb,,,,,,DUKREEDFDXENJN-UHFFFAOYSA-I,,,,,,,,,,,
100.029.116,232-028-6,7783-81-5,Uranium hexafluoride,uranium hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[U+2].[U+2].[U+2],[F-].[F-].[F-].[F-].[F-].[F-].[U+2].[U+2].[U+2],InChI=1/6FH.3U/h6*1H;;;/q;;;;;;3*+2/p-6,F6U,,,,,,AAXVIDBSSVXTMS-UHFFFAOYSA-H,,,,,,,,,,,
100.029.117,232-029-1,7783-82-6,Tungsten hexafluoride,tungsten hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[W+2].[W+2].[W+2],[F-].[F-].[F-].[F-].[F-].[F-].[W+2].[W+2].[W+2],InChI=1/6FH.3W/h6*1H;;;/q;;;;;;3*+2/p-6,F6W,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10721,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.117,UIQMILRINTVNIV-UHFFFAOYSA-H,,,,,,,,,,,
100.023.875,226-262-8,5337-36-0,Trihexyl borate,trihexyl borate,CCCCCCOB(OCCCCCC)OCCCCCC,CCCCCCOB(OCCCCCC)OCCCCCC,"InChI=1/C18H39BO3/c1-4-7-10-13-16-20-19(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3",C18H39BO3,,,,,,KDQYHGMMZKMQAA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.891,226-280-6,5340-78-3,"Ethyl 3,3-dimethylbutyrate","ethyl 3,3-dimethylbutanoate",CCOC(=O)CC(C)(C)C,CCOC(=O)CC(C)(C)C,"InChI=1/C8H16O2/c1-5-10-7(9)6-8(2,3)4/h5-6H2,1-4H3",C8H16O2,,,,,,JWMNHAMYTBAUPI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.895,226-284-8,5343-52-2,2-ethyl-2-methylvaleric acid,2-ethyl-2-methylpentanoic acid,CCCC(C)(CC)C(=O)O,CCCC(C)(CC)C(=O)O,"InChI=1/C8H16O2/c1-4-6-8(3,5-2)7(9)10/h4-6H2,1-3H3,(H,9,10)",C8H16O2,,,,,,WUWPVNVBYOKSSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.896,226-285-3,5343-92-0,"Pentane-1,2-diol","pentane-1,2-diol",CCCC(O)CO,CCCC(O)CO,"InChI=1/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3",C5H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2101,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.896,WCVRQHFDJLLWFE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.898,226-287-4,5344-49-0,2-chloro-6-nitrobenzoic acid,2-chloro-6-nitrobenzoic acid,OC(=O)c1c(Cl)cccc1[N+](=O)[O-],OC(=O)c1c(Cl)cccc1[N+](=O)[O-],"InChI=1/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)",C7H4ClNO4,,,,,,JYHOMEFOTKWQPN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.524,230-275-4,7000-66-0,Didecyl phosphonate,didecyl phosphonate,CCCCCCCCCCOP(=O)OCCCCCCCCCC,CCCCCCCCCCOP(=O)OCCCCCCCCCC,"InChI=1/C20H43O3P/c1-3-5-7-9-11-13-15-17-19-22-24(21)23-20-18-16-14-12-10-8-6-4-2/h24H,3-20H2,1-2H3",C20H43O3P,,,,,,OGFPOHXPNWDPSW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.525,230-277-5,7003-32-9,2-methylcyclohexylamine,2-methylcyclohexanamine,CC1CCCCC1N,CC1CCCCC1N,"InChI=1/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3",C7H15N,,,,,,FEUISMYEFPANSS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.528,230-280-1,7005-53-0,"10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-amine","10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-amine",NC1c2ccccc2CCc3ccccc13,NC1c2ccccc2CCc3ccccc13,"InChI=1/C15H15N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2",C15H15N,,,,,,KTADHXXSCNRJRT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.531,230-283-8,7008-26-6,Dichlorisone,"9,11-dichloro-17,21-dihydroxypregna-1,4-diene-3,20-dione",C[C@]12C[C@H](Cl)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@H](Cl)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H26Cl2O4/c1-18-7-5-13(25)9-12(18)3-4-15-14-6-8-20(27,17(26)11-24)19(14,2)10-16(22)21(15,18)23/h5,7,9,14-16,24,27H,3-4,6,8,10-11H2,1-2H3",C21H26Cl2O4,,,,,,CZJXBZPJABCCRQ-BULBTXNYSA-N,,,,,,,,,,,
100.027.533,230-285-9,7009-43-0,Methiomeprazine,"N,N,2-trimethyl-3-[2-(methylsulfanyl)-10H-phenothiazin-10-yl]propan-1-amine",CSc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,CSc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,"InChI=1/C19H24N2S2/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3",C19H24N2S2,,,,,,AQMNNXSLDLIGII-UHFFFAOYSA-N,,,,,,,,,,,
100.027.541,230-294-8,8/11/7013,"2,3-dichlorobut-1-ene","2,3-dichlorobut-1-ene",CC(Cl)C(=C)Cl,CC(Cl)C(=C)Cl,"InChI=1/C4H6Cl2/c1-3(5)4(2)6/h4H,1H2,2H3",C4H6Cl2,,,,,,LKINOBKAEGPXMI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.547,230-301-4,7023-01-0,"Octadecane-1,9,10-triol","octadecane-1,9,10-triol",CCCCCCCCC(O)C(O)CCCCCCCCO,CCCCCCCCC(O)C(O)CCCCCCCCO,"InChI=1/C18H38O3/c1-2-3-4-5-8-11-14-17(20)18(21)15-12-9-6-7-10-13-16-19/h17-21H,2-16H2,1H3",C18H38O3,,,,,,RGQVEMVVEFTMJD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.549,230-304-0,7024-08-0,"2,2-bis(hydroxymethyl)butyl acrylate","2,2-bis(hydroxymethyl)butyl acrylate",CCC(CO)(CO)COC(=O)C=C,CCC(CO)(CO)COC(=O)C=C,"InChI=1/C9H16O4/c1-3-8(12)13-7-9(4-2,5-10)6-11/h3,10-11H,1,4-7H2,2H3",C9H16O4,,,,,,SYENVBKSVVOOPS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.550,230-305-6,1/09/7024,"2,2-bis(hydroxymethyl)butyl methacrylate","2,2-bis(hydroxymethyl)butyl methacrylate",CCC(CO)(CO)COC(=O)C(=C)C,CCC(CO)(CO)COC(=O)C(=C)C,"InChI=1/C10H18O4/c1-4-10(5-11,6-12)7-14-9(13)8(2)3/h11-12H,2,4-7H2,1,3H3",C10H18O4,,,,,,HGOUNPXIJSDIKV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.141,208-954-1,548-66-3,Drofenine hydrochloride,2-(diethylamino)ethyl cyclohexyl(phenyl)acetate hydrochloride,Cl.CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2,Cl.CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2,"InChI=1/C20H31NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3;1H",C20H31NO2.ClH,,,,,,WIELVDXKOYPANK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.142,208-955-7,548-68-5,S-[2-(diethylamino)ethyl] a-phenylbenzeneethanethioate hydrochloride,S-[2-(diethylamino)ethyl] diphenylethanethioate hydrochloride,Cl.CCN(CC)CCSC(=O)C(c1ccccc1)c2ccccc2,Cl.CCN(CC)CCSC(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C20H25NOS.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H",C20H25NOS.ClH,,,,,,MZWKCFGWAWRHDY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.146,208-959-9,548-80-1,"Disodium 4,5-dihydroxy-3-(p-nitrophenylazo)naphthalene-2,7-disulphonate","disodium 4,5-dihydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc3c(cc2cc(cc(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc3c(cc2cc(cc(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H11N3O10S2.2Na/c20-12-7-11(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-9-1-3-10(4-2-9)19(22)23;;/h1-7,20-21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H11N3O10S2.2Na,,,,,,AXUUHWJXDWBCSG-UHFFFAOYSA-L,,,,,,,,,,,
100.008.154,208-968-8,549-50-8,"(8a,9R)-6'-methoxycinchonan-9-ol monohydroiodide",6'-methoxycinchonan-9-ol hydroiodide,I.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,I.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.HI/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H",C20H24N2O2.HI,,,,,,OFBSOLQELKDLEH-DSXUQNDKSA-N,,,,,,,,,,,
100.006.468,207-113-6,437-38-7,Fentanyl,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide,CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3,CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3,"InChI=1/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3",C22H28N2O,,,,,,PJMPHNIQZUBGLI-UHFFFAOYSA-N,Positive,AU154501|AU154502|AU154503|AU154504|AU154505;EQ364001|EQ364002|EQ364003|EQ364004|EQ364005|EQ364006|EQ364007|EQ364008|EQ364009,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,337.2283:338.2312:339.2338|337.2283:188.1427:338.2312|188.1428:337.2283:189.1459|188.1428:132.08:134.0956|132.0801:188.1429:134.0955;337.2271:188.143:105.07|188.1432:337.2271:105.0697|188.1433:105.0699:134.0964|105.0698:188.1433:132.0807|105.0698:79.0542:103.0542|105.0698:79.0542:103.0542|105.0698:79.0542:103.0542|95.0491:79.0542:105.0447|95.0491:105.0447:51.023,Athens_Univ;Eawag,,,,,
100.006.469,207-114-1,437-50-3,"1,7-dihydroxy-3-methoxyxanthen-9-one","1,7-dihydroxy-3-methoxy-9H-xanthen-9-one",COc1cc(O)c2C(=O)c3cc(O)ccc3Oc2c1,COc1cc(O)c2C(=O)c3cc(O)ccc3Oc2c1,"InChI=1/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3",C14H10O5,,,,,,XOXYHGOIRWABTC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.473,207-118-3,438-59-5,"3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(methyl)ammonium chloride","3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-aminium chloride",[Cl-].C[NH2+]CCC=C1c2ccccc2C=Cc3ccccc13,[Cl-].C[NH2+]CCC=C1c2ccccc2C=Cc3ccccc13,"InChI=1/C19H19N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-13,20H,6,14H2,1H3;1H",C19H19N.ClH,,,,,,UZMPCPFDZYTEJG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.476,207-122-5,439-14-5,Diazepam,"7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",C16H13ClN2O,,,,,,AAOVKJBEBIDNHE-UHFFFAOYSA-N,Positive,AU160802|AU160803|AU160804|AU160805;SM856001;EA262601|EA262602|EA262603|EA262604|EA262605|EA262606|EA262607|EA262608|EA262609|EA262610|EA262611|EA262612|EA262613|EA262614;UF408401|UF408402|UF408403|UF408404,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,285.0793:287.0763:286.0819|285.0793:154.0408:193.0879|193.0884:154.0413:222.115|193.0881:154.0409:241.0525;285.0788:154.0417:193.0885;257.0842:154.0419:222.1152|285.0791|285.079:257.0843:154.0417|285.079:257.0839:154.0417|154.0418:193.0886:222.1152|193.0888:154.0419:222.1153|193.0885:154.0417:241.0527|285.079|285.079:257.084:182.0365|285.0791:257.0839:154.0418|154.0418:193.0886:222.1151|193.0887:154.0418:222.1151|193.0886:154.0418:241.0526|257.0842:154.0419:222.1152;285.0794:154.0421:257.0843|193.0889:154.042:241.0531|285.0795:257.0845:154.0421|257.0843:154.042:222.1154,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.006.487,207-134-0,443-26-5,Ethyl o-fluorobenzoate,ethyl 2-fluorobenzoate,CCOC(=O)c1ccccc1F,CCOC(=O)c1ccccc1F,"InChI=1/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3",C9H9FO2,,,,,,RUWPGPOBTHOLHF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.491,207-138-2,443-73-2,5-fluoro-1H-indole-3-acetic acid,(5-fluoro-1H-indol-3-yl)acetic acid,OC(=O)Cc1c[nH]c2ccc(F)cc12,OC(=O)Cc1c[nH]c2ccc(F)cc12,"InChI=1/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)",C10H8FNO2,,,,,,GWLLOJBOPVNWNF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.494,207-141-9,443-83-4,2-chloro-6-fluorotoluene,1-chloro-3-fluoro-2-methylbenzene,Cc1c(F)cccc1Cl,Cc1c(F)cccc1Cl,"InChI=1/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3",C7H6ClF,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6790,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.494,FNPVYRJTBXHIPB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.498,207-146-6,444-27-9,Timonacic,"1,3-thiazolidine-4-carboxylic acid",OC(=O)C1CSCN1,OC(=O)C1CSCN1,"InChI=1/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)",C4H7NO2S,,,,,,DZLNHFMRPBPULJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.507,207-156-0,445-27-2,2-fluoroacetophenone,1-(2-fluorophenyl)ethanone,O=C(C)c1ccccc1F,O=C(C)c1ccccc1F,"InChI=1/C8H7FO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3",C8H7FO,,,,,,QMATYTFXDIWACW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.512,207-161-8,446-10-6,4-fluoro-2-nitrotoluene,4-fluoro-1-methyl-2-nitrobenzene,Cc1ccc(F)cc1[N+](=O)[O-],Cc1ccc(F)cc1[N+](=O)[O-],"InChI=1/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3",C7H6FNO2,,,,,,SKWTUNAAJNDEIK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.515,207-164-4,446-33-3,5-fluoro-2-nitrotoluene,4-fluoro-2-methyl-1-nitrobenzene,Cc1cc(F)ccc1[N+](=O)[O-],Cc1cc(F)ccc1[N+](=O)[O-],"InChI=1/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3",C7H6FNO2,,,,,,JHFOWEGCZWLHNW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.831,207-513-0,477-29-2,Colchicoside,"N-{3-[(4-deoxypentopyranosyl)oxy]-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide",COC1=CC=C2C(=CC1=O)C(CCc3cc(OC4OCCC(O)C4O)c(OC)c(OC)c23)NC(=O)C,COC1=CC=C2C(=CC1=O)C(CCc3cc(OC4OCCC(O)C4O)c(OC)c(OC)c23)NC(=O)C,"InChI=1/C26H31NO9/c1-13(28)27-17-7-5-14-11-21(36-26-23(31)18(29)9-10-35-26)24(33-3)25(34-4)22(14)15-6-8-20(32-2)19(30)12-16(15)17/h6,8,11-12,17-18,23,26,29,31H,5,7,9-10H2,1-4H3,(H,27,28)",C27H33NO11,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6564,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.831,MPEUGFWOBIRQGE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.835,207-517-2,477-62-3,"O7,O7'-didemethylcycleanine","5,17-dimethoxy-1,13-dimethyl-2,3,12a,13,14,15,24,24a-octahydro-1H,12H-8,11:20,23-dietheno[1,10]dioxacyclooctadecino[13,12,11-ij:4,3,2-i'j']diisoquinoline-6,18-diol",COc1cc2CCN(C)C3Cc4ccc(Oc5c(O)c(OC)cc6CCN(C)C(Cc7ccc(Oc(c1O)c23)cc7)c56)cc4,COc1cc2CCN(C)C3Cc4ccc(Oc5c(O)c(OC)cc6CCN(C)C(Cc7ccc(Oc(c1O)c23)cc7)c56)cc4,"InChI=1/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3",C36H38N2O6,,,,,,XIOGHHPVBVXQIV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.838,207-520-9,477-93-0,Dimethoxanate,2-[2-(dimethylamino)ethoxy]ethyl 10H-phenothiazine-10-carboxylate,CN(C)CCOCCOC(=O)N1c2ccccc2Sc3ccccc13,CN(C)CCOCCOC(=O)N1c2ccccc2Sc3ccccc13,"InChI=1/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3",C19H22N2O3S,,,,,,OOVJCSPCMCAXEX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.840,207-523-5,478-61-5,Berbamine,"6,6',7-trimethoxy-2,2'-dimethylberbaman-12-ol",COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4,COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4,"InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3",C37H40N2O6,,,,,,DFOCUWZXJBAUSQ-URLMMPGGSA-N,,,,,,,,,,,
100.006.843,207-526-1,479-18-5,Diprophylline,"7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O,CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O,"InChI=1/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3",C10H14N4O4,,,,,,KSCFJBIXMNOVSH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.846,207-529-8,479-27-6,"1,8-naphthylenediamine","naphthalene-1,8-diamine",Nc1cccc2cccc(N)c12,Nc1cccc2cccc(N)c12,"InChI=1/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2",C10H10N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11115,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.846,YFOOEYJGMMJJLS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.847,207-530-3,479-33-4,Tetraphenylcyclopentadienone,"2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one",O=C1C(=C(C(=C1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5,O=C1C(=C(C(=C1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5,InChI=1/C29H20O/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20H,C29H20O,,,,,,PLGPSDNOLCVGSS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.849,207-532-4,479-50-5,Lucanthone,1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one,CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12,CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12,"InChI=1/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3",C20H24N2OS,,,,,,FBQPGGIHOFZRGH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.856,207-540-8,479-98-1,"[1S-(1a,4aa,5a,7aa)]-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl-ß-D-glucopyranoside","5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl hexopyranoside",OCC1OC(OC2OC=CC3C(O)C=C(CO)C23)C(O)C(O)C1O,OCC1OC(OC2OC=CC3C(O)C=C(CO)C23)C(O)C(O)C1O,"InChI=1/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2",C15H22O9,,,,,,RJWJHRPNHPHBRN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.864,207-549-7,480-40-0,"5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one","5,7-dihydroxy-2-phenyl-4H-chromen-4-one",Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3,Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3,"InChI=1/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",C15H10O4,,,,,,RTIXKCRFFJGDFG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.865,207-550-2,480-41-1,"(S)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone","5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one",Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2,Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2,"InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",C15H12O5,,,,,,FTVWIRXFELQLPI-UHFFFAOYSA-N,Positive,ML005001,[M+H]+,HCD50,153.0185:147.0443:273.0764,MetaboLights,,,,,
100.006.867,207-552-3,480-44-4,"5,7-dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone","5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one",COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,"InChI=1/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",C16H12O5,,,,,,DANYIYRPLHHOCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.869,207-554-4,480-65-9,"4,6-dimethyl-5-formylpyran-2-one","4,6-dimethyl-2-oxo-2H-pyran-5-carbaldehyde",CC1=C(C=O)C(=CC(=O)O1)C,CC1=C(C=O)C(=CC(=O)O1)C,"InChI=1/C8H8O3/c1-5-3-8(10)11-6(2)7(5)4-9/h3-4H,1-2H3",C8H8O4,,,,,,NLHGEUBYWAAMID-UHFFFAOYSA-N,,,,,,,,,,,
100.006.872,207-558-6,480-78-4,Platyphylline,"12-hydroxy-1,2-dihydrosenecionan-11,16-dione",O=C1OC[C@H]3CCN2CC[C@@H](OC(=O)C(C[C@H](C)[C@@]1(C)O)=CC)[C@H]23,O=C1OC[C@H]3CCN2CC[C@@H](OC(=O)C(C[C@H](C)[C@@]1(C)O)=CC)[C@H]23,"InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3",C18H27NO5,,,,,,BTHCJHQOYFUIMG-BBYLVHEZSA-N,,,,,,,,,,,
100.006.526,207-177-5,446-95-7,"[7S-(7a,7aa,14a,14aa)]-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine",sparteine,C1CCN2CC3CC(CN4CCCCC34)C2C1,C1CCN2CC3CC(CN4CCCCC34)C2C1,"InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2",C15H26N2,,,,,,SLRCCWJSBJZJBV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.530,207-181-7,447-31-4,a-chlorodeoxybenzoin,"2-chloro-1,2-diphenylethanone",ClC(C(=O)c1ccccc1)c2ccccc2,ClC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H",C14H11ClO,,,,,,RXDYOLRABMJTEF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.531,207-182-2,447-41-6,Buphenine,4-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]propyl}phenol,CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2,CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2,"InChI=1/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3",C19H25NO2,,,,,,PTGXAUBQBSGPKF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.533,207-184-3,447-60-9,"a,a,a-trifluoro-2-toluonitrile",2-(trifluoromethyl)benzonitrile,FC(F)(F)c1ccccc1C#N,FC(F)(F)c1ccccc1C#N,"InChI=1/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H",C8H4F3N,,,,,,SOZGHDCEWOLLHV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.541,207-193-2,451-40-1,Deoxybenzoin,"1,2-diphenylethanone",O=C(Cc1ccccc1)c2ccccc2,O=C(Cc1ccccc1)c2ccccc2,"InChI=1/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2",C14H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18186,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.541,OTKCEEWUXHVZQI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.544,207-196-9,451-82-1,2-fluorophenylacetic acid,(2-fluorophenyl)acetic acid,OC(=O)Cc1ccccc1F,OC(=O)Cc1ccccc1F,"InChI=1/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7FO2,,,,,,RPTRFSADOICSSK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.546,207-199-5,452-35-7,6-ethoxybenzothiazole-2-sulphonamide,"6-ethoxy-1,3-benzothiazole-2-sulfonamide",CCOc1ccc2nc(sc2c1)S(=O)(=O)N,CCOc1ccc2nc(sc2c1)S(=O)(=O)N,"InChI=1/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)",C9H10N2O3S2,,,,,,OUZWUKMCLIBBOG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.554,207-208-2,452-71-1,4-fluorotoluidine,4-fluoro-2-methylaniline,Cc1cc(F)ccc1N,Cc1cc(F)ccc1N,"InChI=1/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3",C7H8FN,,,,,,KMHLGVTVACLEJE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.557,207-211-9,452-76-6,"2,4-difluorotoluene","2,4-difluoro-1-methylbenzene",Cc1ccc(F)cc1F,Cc1ccc(F)cc1F,"InChI=1/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3",C7H6F2,,,,,,MPXDAIBTYWGBSL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.569,207-225-5,454-41-1,2-amino-4-(methylsulphinyl)butyric acid,2-amino-4-(methylsulfinyl)butanoic acid,CS(=O)CCC(N)C(=O)O,CS(=O)CCC(N)C(=O)O,"InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO3S,,,,,,QEFRNWWLZKMPFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.571,207-227-6,454-79-5,"6-bromo-a,a,a-trifluoro-m-toluidine",2-bromo-5-(trifluoromethyl)aniline,Nc1cc(ccc1Br)C(F)(F)F,Nc1cc(ccc1Br)C(F)(F)F,"InChI=1/C7H5BrF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2",C7H5BrF3N,,,,,,PZDVFXUBTKPFSG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.572,207-228-1,454-89-7,"a,a,a-trifluoro-3-tolualdehyde",3-(trifluoromethyl)benzaldehyde,FC(F)(F)c1cccc(C=O)c1,FC(F)(F)c1cccc(C=O)c1,"InChI=1/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H",C8H5F3O,,,,,,NMTUHPSKJJYGML-UHFFFAOYSA-N,,,,,,,,,,,
100.009.957,210-952-0,626-55-1,3-bromopyridine,3-bromopyridine,Brc1cccnc1,Brc1cccnc1,InChI=1/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H,C5H4BrN,,,,,,NYPYPOZNGOXYSU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.959,210-954-1,626-58-4,4-methylpiperidine,4-methylpiperidine,CC1CCNCC1,CC1CCNCC1,"InChI=1/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3",C6H13N,,,,,,UZOFELREXGAFOI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.960,210-955-7,626-60-8,3-chloropyridine,3-chloropyridine,Clc1cccnc1,Clc1cccnc1,InChI=1/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H,C5H4ClN,,,,,,PWRBCZZQRRPXAB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.964,210-959-9,626-67-5,1-methylpiperidine,1-methylpiperidine,CN1CCCCC1,CN1CCCCC1,"InChI=1/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3",C6H13N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10100,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.964,PAMIQIKDUOTOBW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.976,210-973-5,626-95-9,"Pentane-1,4-diol","pentane-1,4-diol",CC(O)CCCO,CC(O)CCCO,"InChI=1/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3",C5H12O2,,,,,,GLOBUAZSRIOKLN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.978,210-975-6,626-98-2,Pent-2-enoic acid,pent-2-enoic acid,CCC=CC(O)=O,CCC=CC(O)=O,"InChI=1/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)",C5H8O2,,,,,,YIYBQIKDCADOSF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.984,210-981-9,627-06-5,Propylurea,1-propylurea,CCCNC(=O)N,CCCNC(=O)N,"InChI=1/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)",C4H10N2O,,,,,,ZQZJKHIIQFPZCS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.992,210-990-8,627-22-5,"1-chlorobuta-1,3-diene","1-chlorobuta-1,3-diene",C=CC=CCl,C=CC=CCl,"InChI=1/C4H5Cl/c1-2-3-4-5/h2-4H,1H2",C4H5Cl,,,,,,PCPYTNCQOSFKGG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.552,230-307-7,7025-19-6,4-oxo-2-thioxothiazolidine-3-propionic acid,"3-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid",OC(=O)CCN1C(=O)CSC1=S,OC(=O)CCN1C(=O)CSC1=S,"InChI=1/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)",C6H7NO3S2,,,,,,SWAHCTPCIUXXTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.564,230-320-8,7042-93-5,Oxiranylmethyl a-oxiranyl-p-anisate,oxiran-2-ylmethyl 4-(oxiran-2-ylmethoxy)benzoate,O=C(OCC1CO1)c2ccc(OCC3CO3)cc2,O=C(OCC1CO1)c2ccc(OCC3CO3)cc2,"InChI=1/C13H14O5/c14-13(18-8-12-7-17-12)9-1-3-10(4-2-9)15-5-11-6-16-11/h1-4,11-12H,5-8H2",C13H14O5,,,,,,WTLNIWWRURSHGY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.566,230-322-9,7044-91-9,"Anthracene-9,10-dicarbaldehyde","anthracene-9,10-dicarbaldehyde",O=Cc1c2ccccc2c(C=O)c3ccccc13,O=Cc1c2ccccc2c(C=O)c3ccccc13,InChI=1/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H,C16H10O2,,,,,,SBRUFOSORMQHES-UHFFFAOYSA-N,,,,,,,,,,,
100.027.571,230-328-1,7048-72-8,"N-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine","N-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine",C(NC1=NCCCCC1)c2ccccc2,C(NC1=NCCCCC1)c2ccccc2,"InChI=1/C13H18N2/c1-3-7-12(8-4-1)11-15-13-9-5-2-6-10-14-13/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,15)",C13H18N2,,,,,,DKKOGBSTGPXBRI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.284,226-712-3,4/06/5456,Trineopentyl orthoborate,"tris(2,2-dimethylpropyl) borate",CC(C)(C)COB(OCC(C)(C)C)OCC(C)(C)C,CC(C)(C)COB(OCC(C)(C)C)OCC(C)(C)C,"InChI=1/C15H33BO3/c1-13(2,3)10-17-16(18-11-14(4,5)6)19-12-15(7,8)9/h10-12H2,1-9H3",C15H33BO3,,,,,,CTMRSRYEXZZLLP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.285,226-713-9,5456-28-0,Selenium tetrakis(diethyldithiocarbamate),selenium tetrakis(diethyldithiocarbamate),[SeH4+2].[SeH4+2].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-],[SeH4+2].[SeH4+2].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-],"InChI=1/4C5H11NS2.2H4Se/c4*1-3-6(4-2)5(7)8;;/h4*3-4H2,1-2H3,(H,7,8);2*1H4/q;;;;2*+2/p-4",C20H40N4S8Se,,,,,,LYMRNPFEFAIHHQ-UHFFFAOYSA-J,,,,,,,,,,,
100.024.289,226-718-6,5457-70-5,Phenethyl octanoate,2-phenylethyl octanoate,CCCCCCCC(=O)OCCc1ccccc1,CCCCCCCC(=O)OCCc1ccccc1,"InChI=1/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3",C16H24O2,,,,,,ASETYIALRXDVDF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.298,226-728-0,5459-38-1,"1,2,3-propanetriyl triacrylate","propane-1,2,3-triyl trisacrylate",C=CC(=O)OCC(COC(=O)C=C)OC(=O)C=C,C=CC(=O)OCC(COC(=O)C=C)OC(=O)C=C,"InChI=1/C12H14O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h4-6,9H,1-3,7-8H2",C12H14O6,,,,,,PUGOMSLRUSTQGV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.303,226-733-8,5459-93-8,Cyclohexyl(ethyl)amine,N-ethylcyclohexanamine,CCNC1CCCCC1,CCNC1CCCCC1,"InChI=1/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3",C8H17N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11208,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.303,AGVKXDPPPSLISR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.305,226-735-9,5459-98-3,Isopropyl undec-10-enoate,isopropyl undec-10-enoate,CC(C)OC(=O)CCCCCCCCC=C,CC(C)OC(=O)CCCCCCCCC=C,"InChI=1/C14H26O2/c1-4-5-6-7-8-9-10-11-12-14(15)16-13(2)3/h4,13H,1,5-12H2,2-3H3",C14H26O2,,,,,,SJMKHCGKNIXLKH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.306,226-736-4,3/09/5460,"Sodium hydrogen 4-amino-5-hydroxynaphthalene-2,7-disulphonate","sodium hydrogen 4-amino-5-hydroxynaphthalene-2,7-disulfonate",[Na+].Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H9NO7S2.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10868,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.306,QPILZZVXGUNELN-UHFFFAOYSA-L,,,,,,,,,,,
100.024.308,226-739-0,5460-31-1,3-nitro-o-cresol,2-methyl-3-nitrophenol,Cc1c(O)cccc1[N+](=O)[O-],Cc1c(O)cccc1[N+](=O)[O-],"InChI=1/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3",C7H7NO3,,,,,,GAKLFAZBKQGUBO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.313,226-744-8,3/06/5461,Isobutyl octanoate,isobutyl octanoate,CCCCCCCC(=O)OCC(C)C,CCCCCCCC(=O)OCC(C)C,"InChI=1/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3",C12H24O2,,,,,,CFQRBRGFNFRMBD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.320,226-752-1,5462-60-2,Disodium sulphonatoacetate,disodium sulfonatoacetate,[Na+].[Na+].[O-]C(=O)CS(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)CS(=O)(=O)[O-],"InChI=1/C2H4O5S.2Na/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);;/q;2*+1/p-2",C2H4O5S.2Na,,,,,,BMDIYDZEBRJMPF-UHFFFAOYSA-L,,,,,,,,,,,
100.024.322,226-754-2,5463-64-9,"4,4'-bis[(4-amino-1-naphthyl)azo]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4-amino-1-naphthyl)diazenyl]benzenesulfonic acid}",Nc6ccc(N=Nc4ccc(/C=C/c3ccc(N=Nc1ccc(N)c2ccccc12)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)c5ccccc56,Nc6ccc(N=Nc4ccc(/C=C/c3ccc(N=Nc1ccc(N)c2ccccc12)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)c5ccccc56,"InChI=1/C34H26N6O6S2/c35-29-15-17-31(27-7-3-1-5-25(27)29)39-37-23-13-11-21(33(19-23)47(41,42)43)9-10-22-12-14-24(20-34(22)48(44,45)46)38-40-32-18-16-30(36)26-6-2-4-8-28(26)32/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)",C34H26N6O6S2,,,,,,BEOHKTZPLVXCFG-MQJWSLAISA-N,,,,,,,,,,,
100.024.327,226-760-5,5464-58-4,3-acetamido-5-nitrobenzoic acid,3-acetamido-5-nitrobenzoic acid,CC(=O)Nc1cc(cc(c1)[N+](=O)[O-])C(=O)O,CC(=O)Nc1cc(cc(c1)[N+](=O)[O-])C(=O)O,"InChI=1/C9H8N2O5/c1-5(12)10-7-2-6(9(13)14)3-8(4-7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)",C9H8N2O5,,,,,,PXAFGNQRBIXGLM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.519,207-169-1,446-48-0,a-bromo-o-fluorotoluene,1-(bromomethyl)-2-fluorobenzene,Fc1ccccc1CBr,Fc1ccccc1CBr,"InChI=1/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",C7H6BrF,,,,,,FFWQLZFIMNTUCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.901,210-890-4,625-36-5,3-chloropropionyl chloride,3-chloropropanoyl chloride,ClCCC(=O)Cl,ClCCC(=O)Cl,InChI=1/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2,C3H4Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16338,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.901,INUNLMUAPJVRME-UHFFFAOYSA-N,,,,,,,,,,,
100.009.903,210-893-0,625-43-4,N-methylisobutylamine,"N,2-dimethylpropan-1-amine",CNCC(C)C,CNCC(C)C,"InChI=1/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3",C5H13N,,,,,,QKYWADPCTHTJHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.908,210-898-8,625-52-5,Ethylurea,1-ethylurea,CCNC(=O)N,CCNC(=O)N,"InChI=1/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)",C3H8N2O,,,,,,RYECOJGRJDOGPP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.914,210-904-9,625-60-5,S-ethyl ethanethioate,S-ethyl ethanethioate,CCSC(=O)C,CCSC(=O)C,"InChI=1/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3",C4H8OS,,,,,,APTGPWJUOYMUCE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.922,210-913-8,625-84-3,"2,5-dimethyl-1H-pyrrole","2,5-dimethyl-1H-pyrrole",Cc1ccc(C)[nH]1,Cc1ccc(C)[nH]1,"InChI=1/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3",C6H9N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16368,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.922,PAPNRQCYSFBWDI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.928,210-920-6,625-99-0,1-chloro-3-iodobenzene,1-chloro-3-iodobenzene,Clc1cccc(I)c1,Clc1cccc(I)c1,InChI=1/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4ClI,,,,,,JMLWXCJXOYDXRN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.945,210-938-4,626-26-6,Di-sec-butyl sulphide,"2,2'-sulfanediyldibutane",CCC(C)SC(C)CC,CCC(C)SC(C)CC,"InChI=1/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3",C8H18S,,,,,,IEBAOPMEYUWQPD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.947,210-941-0,626-29-9,Myristic anhydride,tetradecanoic anhydride,CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC,"InChI=1/C28H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C28H54O3,,,,,,RCRYHUPTBJZEQS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.949,210-943-1,626-33-5,2-methylheptan-4-one,2-methylheptan-4-one,CCCC(=O)CC(C)C,CCCC(=O)CC(C)C,"InChI=1/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3",C8H16O,,,,,,AKRJXOYALOGLHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.954,210-948-9,626-43-7,"3,5-dichloroaniline","3,5-dichloroaniline",Nc1cc(Cl)cc(Cl)c1,Nc1cc(Cl)cc(Cl)c1,"InChI=1/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2",C6H5Cl2N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1491,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.954,UQRLKWGPEVNVHT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.314,208-044-4,506-52-5,Hexacosan-1-ol,hexacosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3",C26H54O,,,,,,IRHTZOCLLONTOC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.315,208-046-5,506-59-2,Dimethylammonium chloride,N-methylmethanaminium chloride,[Cl-].C[NH2+]C,[Cl-].C[NH2+]C,"InChI=1/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H",C2H7N.ClH,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13403,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.315,IQDGSYLLQPDQDV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.322,208-053-3,506-78-5,Cyanogen iodide,cyanic iodide,IC#N,IC#N,InChI=1/CIN/c2-1-3,CIN,,,,,,WPBXOELOQKLBDF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.326,208-058-0,506-87-6,Diammonium carbonate,diammonium carbonate,[NH4+].[NH4+].[O-]C(=O)[O-],[NH4+].[NH4+].[O-]C(=O)[O-],"InChI=1/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3",CH2O3.2H3N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1190,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.326,PRKQVKDSMLBJBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.329,208-061-7,506-96-7,Acetyl bromide,acetyl bromide,CC(=O)Br,CC(=O)Br,InChI=1/C2H3BrO/c1-2(3)4/h1H3,C2H3BrO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16238,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.329,FXXACINHVKSMDR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.330,208-062-2,507-02-8,Acetyl iodide,acetyl iodide,CC(=O)I,CC(=O)I,InChI=1/C2H3IO/c1-2(3)4/h1H3,C2H3IO,,,,,,LEKJTGQWLAUGQA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.336,208-069-0,507-27-7,Tetraphenylarsonium bromide,tetraphenylarsonium bromide,[Br-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20As.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",C24H20As.Br,,,,,,NZUQEBQRKNZZDO-UHFFFAOYSA-M,,,,,,,,,,,
100.007.338,208-071-1,507-36-8,2-bromo-2-methylbutane,2-bromo-2-methylbutane,CCC(C)(C)Br,CCC(C)(C)Br,"InChI=1/C5H11Br/c1-4-5(2,3)6/h4H2,1-3H3",C5H11Br,,,,,,JOUWCKCVTDSMHF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.341,208-074-8,507-47-1,"1-amino-2,2,2-trichloroethanol","1-amino-2,2,2-trichloroethanol",NC(O)C(Cl)(Cl)Cl,NC(O)C(Cl)(Cl)Cl,"InChI=1/C2H4Cl3NO/c3-2(4,5)1(6)7/h1,7H,6H2",C2H4Cl3NO,,,,,,UOUOCWPRMBRIEM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.343,208-076-9,507-55-1,"1,3-dichloro-1,1,2,2,3-pentafluoropropane","1,3-dichloro-1,1,2,2,3-pentafluoropropane",FC(Cl)C(F)(F)C(F)(F)Cl,FC(Cl)C(F)(F)C(F)(F)Cl,"InChI=1/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H",C3HCl2F5,,,,,,UJIGKESMIPTWJH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.874,207-560-7,481-06-1,"(3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione","3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione",C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C,C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C,"InChI=1/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3",C15H18O3,,,,,,XJHDMGJURBVLLE-BOCCBSBMSA-N,,,,,,,,,,,
100.007.680,208-447-5,528-97-2,2-(diethylamino)ethyl 4-(butylamino)salicylate monohydrochloride,2-(diethylamino)ethyl 4-(butylamino)-2-hydroxybenzoate hydrochloride,Cl.CCCCNc1ccc(C(=O)OCCN(CC)CC)c(O)c1,Cl.CCCCNc1ccc(C(=O)OCCN(CC)CC)c(O)c1,"InChI=1/C17H28N2O3.ClH/c1-4-7-10-18-14-8-9-15(16(20)13-14)17(21)22-12-11-19(5-2)6-3;/h8-9,13,18,20H,4-7,10-12H2,1-3H3;1H",C17H28N2O3.ClH,,,,,,JHYVOYPJWUFGKV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.701,208-470-0,529-84-0,"6,7-dihydroxy-4-methylcoumarin","6,7-dihydroxy-4-methyl-2H-chromen-2-one",CC1=CC(=O)Oc2cc(O)c(O)cc12,CC1=CC(=O)Oc2cc(O)c(O)cc12,"InChI=1/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3",C10H8O4,,,,,,KVOJTUXGYQVLAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.703,208-472-1,530-08-5,Isoetarine,"4-[1-hydroxy-2-(isopropylamino)butyl]benzene-1,2-diol",CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,"InChI=1/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3",C13H21NO3,,,,,,HUYWAWARQUIQLE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.708,208-477-9,530-43-8,Chloramphenicol palmitate,2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl palmitate,CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-],CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)",C27H42Cl2N2O6,,,,,,PXKHGMGELZGJQE-ILBGXUMGSA-N,,,,,,,,,,,
100.007.710,208-480-5,530-45-0,"1,1-di-p-tolylethane","1,1'-ethane-1,1-diylbis(4-methylbenzene)",CC(c1ccc(C)cc1)c2ccc(C)cc2,CC(c1ccc(C)cc1)c2ccc(C)cc2,"InChI=1/C16H18/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-11,14H,1-3H3",C16H18,,,,,,IDONYCOFOUUWLB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.718,208-488-9,530-62-1,"1,1'-carbonylbis-1H-imidazole","1,1'-carbonylbis(1H-imidazole)",O=C(n1ccnc1)n2ccnc2,O=C(n1ccnc1)n2ccnc2,InChI=1/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H,C7H6N4O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10364,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.718,PFKFTWBEEFSNDU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.054,207-758-3,492-70-6,"1,2-diphenylethane-1,2-diol","1,2-diphenylethane-1,2-diol",OC(C(O)c1ccccc1)c2ccccc2,OC(C(O)c1ccccc1)c2ccccc2,"InChI=1/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H",C14H14O2,,,,,,IHPDTPWNFBQHEB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.061,207-766-7,492-94-4,"2,2'-furil","1,2-di-2-furylethane-1,2-dione",O=C(C(=O)c1occc1)c2occc2,O=C(C(=O)c1occc1)c2occc2,InChI=1/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H,C10H6O4,,,,,,SXPUVBFQXJHYNS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.062,207-767-2,492-97-7,"2,2'-bithiophene","2,2'-bithiophene",c1csc(c1)c2cccs2,c1csc(c1)c2cccs2,InChI=1/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H,C8H6S2,,,,,,OHZAHWOAMVVGEL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.064,207-769-3,492-99-9,"Cyclohexane-1,2-dione dioxime","cyclohexane-1,2-dione dioxime",ON=C1CCCCC1=NO,ON=C1CCCCC1=NO,"InChI=1/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2",C6H10N2O2,,,,,,CUNNCKOPAWXYDX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.069,207-775-6,493-09-4,"1,4-benzodioxane","2,3-dihydro-1,4-benzodioxine",C1COc2ccccc2O1,C1COc2ccccc2O1,"InChI=1/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2",C8H8O2,,,,,,BNBQRQQYDMDJAH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.077,207-784-5,493-92-5,Prolintane,1-(1-benzylbutyl)pyrrolidine,CCCC(Cc1ccccc1)N2CCCC2,CCCC(Cc1ccccc1)N2CCCC2,"InChI=1/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3",C15H23N,,,,,,OJCPSBCUMRIPFL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.087,207-795-5,494-90-6,"4,5,6,7-tetrahydro-3,6-dimethylbenzofuran","3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran",CC1CCc2c(C)coc2C1,CC1CCc2c(C)coc2C1,"InChI=1/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3",C10H14O,,,,,,YGWKXXYGDYYFJU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.088,207-796-0,494-99-5,4-methylveratrole,"1,2-dimethoxy-4-methylbenzene",COc1ccc(C)cc1OC,COc1ccc(C)cc1OC,"InChI=1/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3",C9H12O2,,,,,,GYPMBQZAVBFUIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.089,207-797-6,495-18-1,N-hydroxybenzamide,N-hydroxybenzamide,ONC(=O)c1ccccc1,ONC(=O)c1ccccc1,"InChI=1/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)",C7H7NO2,,,,,,VDEUYMSGMPQMIK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.093,207-801-6,495-45-4,ß-methylchalcone,"1,3-diphenylbut-2-en-1-one",C\\C(=C/C(=O)c1ccccc1)\\c2ccccc2,C\C(=C/C(=O)c1ccccc1)\c2ccccc2,"InChI=1/C16H14O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-12H,1H3",C16H14O,,,,,,PLELHVCQAULGBH-OUKQBFOZSA-N,,,,,,,,,,,
100.008.584,209-441-5,579-44-2,"(±)-2-hydroxy-1,2-diphenylethan-1-one","2-hydroxy-1,2-diphenylethanone",OC(C(=O)c1ccccc1)c2ccccc2,OC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H",C14H12O2,,,,,,ISAOCJYIOMOJEB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.993,210-991-3,627-27-0,3-buten-1-ol,but-3-en-1-ol,OCCC=C,OCCC=C,"InChI=1/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2",C4H8O,,,,,,ZSPTYLOMNJNZNG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.125,210-037-6,603-36-1,Triphenylstibine,triphenylstibine,c1ccc(cc1)[Sb](c2ccccc2)c3ccccc3,c1ccc(cc1)[Sb](c2ccccc2)c3ccccc3,InChI=1/3C6H5.Sb/c3*1-2-4-6-5-3-1;/h3*1-5H;/rC18H15Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,C18H15Sb,,,,,,HVYVMSPIJIWUNA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.133,210-046-5,603-51-0,"4,4-diphenylsemicarbazide","N,N-diphenylhydrazinecarboxamide",NNC(=O)N(c1ccccc1)c2ccccc2,NNC(=O)N(c1ccccc1)c2ccccc2,"InChI=1/C13H13N3O/c14-15-13(17)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2,(H,15,17)",C13H13N3O,,,,,,VVVFQQJJJRFDTE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.135,210-048-6,603-54-3,"1,1-diphenylurea","1,1-diphenylurea",NC(=O)N(c1ccccc1)c2ccccc2,NC(=O)N(c1ccccc1)c2ccccc2,"InChI=1/C13H12N2O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16)",C13H12N2O,,,,,,XKAFKUGMXFMRCC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.373,208-109-7,510-13-4,"a,a-bis(p-dimethylaminophenyl)benzyl alcohol",bis[4-(dimethylamino)phenyl](phenyl)methanol,CN(C)c1ccc(cc1)C(O)(c2ccccc2)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)C(O)(c2ccccc2)c3ccc(cc3)N(C)C,"InChI=1/C23H26N2O/c1-24(2)21-14-10-19(11-15-21)23(26,18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,26H,1-4H3",C23H26N2O,,,,,,LXHOGENDFZKPSF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.377,208-113-9,510-39-4,"(4a,8a,12a,13R,14R)-16-isopropyl-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid, cyclic 13,14-anhydride","12-isopropyl-6,9a-dimethyl-1,3-dioxotetradecahydro-1H-3b,11-ethenophenanthro[1,2-c]furan-6-carboxylic acid",CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)O)C2CC1C5C3C(=O)OC5=O,CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)O)C2CC1C5C3C(=O)OC5=O,"InChI=1/C24H32O5/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(27)28)16(24)10-13(14)17-18(24)20(26)29-19(17)25/h11-13,15-18H,5-10H2,1-4H3,(H,27,28)",C24H32O5,,,,,,FEPCMSPFPMPWJK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.380,208-117-0,510-75-8,"Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,2ß,4aa,4bß,10ß)-","2-hydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid",CC12C(O)C=CC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O,CC12C(O)C=CC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O,"InChI=1/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)",C19H22O5,,,,,,SEEGHKWOBVVBTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.383,208-120-7,511-08-0,Ergocristine,"5'-benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman",CC(C)[C@@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O,CC(C)[C@@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O,"InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)",C35H39N5O5,,,,,,HEFIYUQVAZFDEE-MKTPKCENSA-N,,,,,,,,,,,
100.007.384,208-121-2,511-09-1,"12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione","12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman",CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,"InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)",C32H41N5O5,,,,,,YDOTUXAWKBPQJW-NSLWYYNWSA-N,,,,,,,,,,,
100.007.385,208-122-8,511-10-4,"(8a)-12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione","12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman",CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,"InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)",C32H41N5O5,,,,,,YDOTUXAWKBPQJW-JJANYQHSSA-N,,,,,,,,,,,
100.007.387,208-124-9,511-13-7,Clofedanol hydrochloride,1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol hydrochloride,Cl.CN(C)CCC(O)(c1ccccc1)c2ccccc2Cl,Cl.CN(C)CCC(O)(c1ccccc1)c2ccccc2Cl,"InChI=1/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H",C17H20ClNO.ClH,,,,,,XYGSFNHCFFAJPO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.389,208-127-5,511-28-4,"9,10-secoergosta-5(Z),7(E),10(19)-trien-3ß-ol","9,10-secoergosta-5,7,10-trien-3-ol",CC(C)C(C)CCC(C)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C,CC(C)C(C)CCC(C)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C,"InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3",C28H46O,,,,,,DIPPFEXMRDPFBK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.328,226-761-0,5464-59-5,"Hydrogen trichlorozincate(1-), compound with N,N,N',N'-tetramethylacridine-3,6-diamine (1:1)","hydrogen trichlorozincate(1-) - N,N,N',N'-tetramethylacridine-3,6-diamine (1:1)",CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C.Cl[Zn-](Cl)Cl,CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C.Cl[Zn-](Cl)Cl,"InChI=1/C17H19N3.3ClH.Zn/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;;;;/h5-11H,1-4H3;3*1H;/q;;;;+2/p-3/rC17H19N3.Cl3Zn/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;1-4(2)3/h5-11H,1-4H3;/q;-1",C17H19N3.Cl3Zn.H,,,,,,VADJQOXWNSPOQA-UHFFFAOYSA-K,,,,,,,,,,,
100.027.913,230-705-0,7283-68-3,Dioctadecyl fumarate,dioctadecyl but-2-enedioate,CCCCCCCCCCCCCCCCCCOC(=O)\\C=C\\C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C40H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43-39(41)35-36-40(42)44-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-38H2,1-2H3",C40H76O4,,,,,,XHSDDKAGJYJAQM-ULDVOPSXSA-N,,,,,,,,,,,
100.027.918,230-710-8,7286-69-3,Sebuthylazine,"N-sec-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine",CCNc1nc(Cl)nc(NC(C)CC)n1,CCNc1nc(Cl)nc(NC(C)CC)n1,"InChI=1/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)",C9H16ClN5,,,,,,BZRUVKZGXNSXMB-UHFFFAOYSA-N,Positive,EA067001|EA067002|EA067003|EA067004|EA067005|EA067006|EA067007|EA067008|EA067009|EA067010|EA067011|EA067012|EA067013|EA067014,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,174.0541:96.0555:104.001|230.1167:174.0538|230.1168:174.0541:104.0014|174.054:230.1166:104.0009|174.054:132.0323:146.0227|104.001:174.054:68.0243|104.001:68.0243:96.0556|230.1167:174.0536|230.1167:174.0541|174.0541:230.1165:146.0227|174.054:146.0227:132.0323|104.001:174.054:68.0243|104.0009:68.0243:79.0057|174.0541:188.0696:104.001,Eawag,,,,,
100.027.923,230-716-0,7287-82-3,a-2-dimethylbenzyl alcohol,1-(2-methylphenyl)ethanol,CC(O)c1ccccc1C,CC(O)c1ccccc1C,"InChI=1/C9H12O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8,10H,1-2H3",C9H12O,,,,,,SDCBYRLJYGORNK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.925,230-718-1,7289-52-3,1-methoxydecane,1-methoxydecane,CCCCCCCCCCOC,CCCCCCCCCCOC,"InChI=1/C11H24O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3",C11H24O,,,,,,JPEWDCTZJFUITH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.931,230-724-4,7292-73-1,(±)-4-fluorophenylglycine,amino(4-fluorophenyl)acetic acid,NC(C(=O)O)c1ccc(F)cc1,NC(C(=O)O)c1ccc(F)cc1,"InChI=1/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)",C8H8FNO2,,,,,,JKFYKCYQEWQPTM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.940,230-734-9,7297-25-8,Eritrityl tetranitrate,"butane-1,2,3,4-tetrayl tetranitrate",[O-][N+](=O)OC[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],[O-][N+](=O)OC[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2",C4H6N4O12,,,,,,SNFOERUNNSHUGP-ZXZARUISSA-N,,,,,,,,,,,
100.027.951,230-746-4,7300-56-3,"2,3-dihydro-5,7-dimethyl-1H-1,4-diazepine monoperchlorate","5,7-dimethyl-2,3-dihydro-1H-1,4-diazepine perchlorate",CC1=CC(=NCCN1)C.OCl(=O)(=O)=O,CC1=CC(=NCCN1)C.OCl(=O)(=O)=O,"InChI=1/C7H12N2.ClHO4/c1-6-5-7(2)9-4-3-8-6;2-1(3,4)5/h5,8H,3-4H2,1-2H3;(H,2,3,4,5)",C7H12N2.ClHO4,,,,,,LSBOWQYDCRFWCG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.957,230-753-2,7305-32-0,2-(decylsulphinyl)ethanol,2-(decylsulfinyl)ethanol,CCCCCCCCCCS(=O)CCO,CCCCCCCCCCS(=O)CCO,"InChI=1/C12H26O2S/c1-2-3-4-5-6-7-8-9-11-15(14)12-10-13/h13H,2-12H2,1H3",C12H26O2S,,,,,,FRMANNAMIQYSEN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.912,226-304-5,5346-90-7,Alpha-D-cellobiose octaacetate,"1,2,3,6-tetra-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose",CC(=O)OCC1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C,CC(=O)OCC1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C,"InChI=1/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3",C28H38O19,,,,,,WOTQVEKSRLZRSX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.918,226-310-8,5349-37-1,D-gluco-2-heptulose,hept-2-ulopyranose,OCC1OC(O)(CO)C(O)C(O)C1O,OCC1OC(O)(CO)C(O)C(O)C1O,"InChI=1/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2",C7H14O7,,,,,,HAIWUXASLYEWLM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.919,226-311-3,5349-51-9,4-tert-pentylcyclohexanol,"4-(1,1-dimethylpropyl)cyclohexanol",CCC(C)(C)C1CCC(O)CC1,CCC(C)(C)C1CCC(O)CC1,"InChI=1/C11H22O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10,12H,4-8H2,1-3H3",C11H22O,,,,,,VDQZABQVXYELSI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.923,226-316-0,5349-62-2,4-methyl-1-phenylpentan-2-one,4-methyl-1-phenylpentan-2-one,CC(C)CC(=O)Cc1ccccc1,CC(C)CC(=O)Cc1ccccc1,"InChI=1/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O,,,,,,DTYGTEGDVPAKDA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.927,226-320-2,5350-41-4,Benzyltrimethylammonium bromide,"N,N,N-trimethyl(phenyl)methanaminium bromide",[Br-].C[N+](C)(C)Cc1ccccc1,[Br-].C[N+](C)(C)Cc1ccccc1,"InChI=1/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1",C10H16N.Br,,,,,,UUZYBYIOAZTMGC-UHFFFAOYSA-M,,,,,,,,,,,
100.023.931,226-324-4,5351-17-7,4-aminobenzohydrazide,4-aminobenzohydrazide,NNC(=O)c1ccc(N)cc1,NNC(=O)c1ccc(N)cc1,"InChI=1/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)",C7H9N3O,,,,,,WPBZMCGPFHZRHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.932,226-326-5,5351-23-5,4-hydroxybenzohydrazide,4-hydroxybenzohydrazide,NNC(=O)c1ccc(O)cc1,NNC(=O)c1ccc(O)cc1,"InChI=1/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)",C7H8N2O2,,,,,,ZMZGIVVRBMFZSG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.344,208-077-4,507-60-8,"6ß-acetoxy-3beta(ß-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide","6-acetoxy-3-(hexopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide",CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C4=COC(=O)C=C4)C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C=C15,CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C4=COC(=O)C=C4)C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C=C15,"InChI=1/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3",C32H44O12,,,,,,LSMIOFMZNVEEBR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.347,208-081-6,508-02-1,3ß-hydroxyolean-12-en-28-oic acid,3-hydroxyolean-12-en-28-oic acid,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,"InChI=1/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)",C30H48O3,,,,,,MIJYXULNPSFWEK-GTOFXWBISA-N,,,,,,,,,,,
100.007.351,208-085-8,508-54-3,"(5a)-7,8-didehydro-4,5-epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one","14-hydroxy-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one",COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)C=C[C@@]35O,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)C=C[C@@]35O,"InChI=1/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3",C18H19NO4,,,,,,YYCRAERBSFHMPL-XFKAJCMBSA-N,,,,,,,,,,,
100.007.352,208-086-3,508-75-8,Convallatoxin,"3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3",C29H42O10,,,,,,HULMNSIAKWANQO-JQKSAQOKSA-N,,,,,,,,,,,
100.007.353,208-087-9,508-77-0,Cymarin,"3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide",COC1CC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)OC(C)C1O,COC1CC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)OC(C)C1O,"InChI=1/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3",C30H44O9,,,,,,XQCGNURMLWFQJR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.354,208-088-4,508-93-0,"(3ß,5ß)-3-[(6-deoxy-a-L-mannopyranosyl)oxy]-14-hydroxycard-20(22)-enolide",3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxycard-20(22)-enolide,C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3",C29H44O8,,,,,,WQMLFJWIKARBFW-BKKMTDGVSA-N,,,,,,,,,,,
100.007.364,208-099-4,509-55-7,"(5a,8a)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-ol","3-methoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan-8-ol",COc1ccc2C[C@@H]3[C@@H]4[C@H](O)C=C[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4[C@H](O)C=C[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3/c1-19-8-7-18-14-6-4-12(20)16(18)11(19)9-10-3-5-13(21-2)17(22-14)15(10)18/h3-6,11-12,14,16,20H,7-9H2,1-2H3",C18H21NO3,,,,,,KYIVACLUFRUFLS-JGWAQYATSA-N,,,,,,,,,,,
100.007.365,208-100-8,509-60-4,"7,8-dihydromorphine","17-methyl-4,5-epoxymorphinan-3,6-diol",CN1CC[C@@]23[C@H]4CC[C@H](O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,CN1CC[C@@]23[C@H]4CC[C@H](O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,"InChI=1/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3",C17H21NO3,,,,,,IJVCSMSMFSCRME-KBQPJGBKSA-N,,,,,,,,,,,
100.008.170,208-986-6,550-74-3,3-methyl-4-nitro-1-p-nitrophenyl-5-pyrazolone,"5-methyl-4-nitro-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1N(=O)=O)c2ccc(cc2)N(=O)=O,CC1=NN(C(=O)C1N(=O)=O)c2ccc(cc2)N(=O)=O,"InChI=1/C10H8N4O5/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5,9H,1H3",C10H8N4O5,,,,,,OVFUUSPKWADLNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.171,208-987-1,550-82-3,7-hydroxy-3H-phenoxazin-3-one 10-oxide,7-hydroxy-3H-phenoxazin-3-one 10-oxide,Oc1ccc2c(OC3=CC(=O)C=CC3=[N+]2[O-])c1,Oc1ccc2c(OC3=CC(=O)C=CC3=[N+]2[O-])c1,"InChI=1/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H",C12H7NO4,,,,,,PLXBWHJQWKZRKG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.173,208-989-2,550-99-2,Naphazoline hydrochloride,"2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole hydrochloride",Cl.C(C1=NCCN1)c2cccc3ccccc23,Cl.C(C1=NCCN1)c2cccc3ccccc23,"InChI=1/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H",C14H14N2.ClH,,,,,,DJDFFEBSKJCGHC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.174,208-990-8,551-06-4,1-naphthyl isothiocyanate,1-isothiocyanatonaphthalene,S=C=Nc1cccc2ccccc12,S=C=Nc1cccc2ccccc12,InChI=1/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,C11H7NS,,,,,,JBDOSUUXMYMWQH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.176,208-992-9,551-09-7,N-(1-naphthyl)ethylenediamine,"N-1-naphthylethane-1,2-diamine",NCCNc1cccc2ccccc12,NCCNc1cccc2ccccc12,"InChI=1/C12H14N2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9,13H2",C12H14N2,,,,,,NULAJYZBOLVQPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.593,209-450-4,580-02-9,Methyl O-acetylsalicylate,methyl 2-acetoxybenzoate,O=C(C)Oc1ccccc1C(=O)OC,O=C(C)Oc1ccccc1C(=O)OC,"InChI=1/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3",C10H10O4,,,,,,ONWPLBKWMAUFGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.604,209-463-5,581-40-8,"2,3-dimethylnaphthalene","2,3-dimethylnaphthalene",Cc1cc2ccccc2cc1C,Cc1cc2ccccc2cc1C,"InChI=1/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3",C12H12,,,,,,WWGUMAYGTYQSGA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.609,209-468-2,581-50-0,"2,3'-bipyridine","2,3'-bipyridine",c1ccc(nc1)c2cccnc2,c1ccc(nc1)c2cccnc2,InChI=1/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H,C10H8N2,,,,,,VEKIYFGCEAJDDT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.611,209-470-3,581-64-6,"3,7-diaminophenothiazin-5-ium chloride","3,7-diaminophenothiazin-5-ium chloride",[Cl-].Nc1ccc2nc3ccc(N)cc3[s+]c2c1,[Cl-].Nc1ccc2nc3ccc(N)cc3[s+]c2c1,"InChI=1/C12H10N3S.ClH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6H,13-14H2;1H/q+1;/p-1",C12H10N3S.Cl,,,,,,ANRHNWWPFJCPAZ-UHFFFAOYSA-M,,,,,,,,,,,
100.008.613,209-472-4,581-88-4,Debrisoquine sulphate,"3,4-dihydroisoquinoline-2(1H)-carboximidamide sulfate",NC(=N)N1CCc2ccccc2C1.OS(=O)(=O)O,NC(=N)N1CCc2ccccc2C1.OS(=O)(=O)O,"InChI=1/C10H13N3.H2O4S/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)",C10H13N3.1/2H2O4S,,,,,,SVYNLIRHKQCPNE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.614,209-474-5,581-89-5,2-nitronaphthalene,2-nitronaphthalene,[O-][N+](=O)c1ccc2ccccc2c1,[O-][N+](=O)c1ccc2ccccc2c1,InChI=1/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,C10H7NO2,,,,,,ZJYJZEAJZXVAMF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.626,209-487-6,582-54-7,"2,5-dichlorophenoxyacetic acid","(2,5-dichlorophenoxy)acetic acid",OC(=O)COc1cc(Cl)ccc1Cl,OC(=O)COc1cc(Cl)ccc1Cl,"InChI=1/C8H6Cl2O3/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6Cl2O3,,,,,,YVPLLFUCNGVUAY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.754,208-528-5,532-11-6,"5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione","5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione",COc1ccc(cc1)C2=CC(=S)SS2,COc1ccc(cc1)C2=CC(=S)SS2,"InChI=1/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3",C10H8OS3,,,,,,KYLIZBIRMBGUOP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.756,208-530-6,532-24-1,Tropinone,8-methyl-8-azabicyclo[3.2.1]octan-3-one,CN2[C@@H]1CC(=O)C[C@H]2CC1,CN2[C@@H]1CC(=O)C[C@H]2CC1,"InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3",C8H13NO,,,,,,QQXLDOJGLXJCSE-KNVOCYPGSA-N,,,,,,,,,,,
100.007.759,208-533-2,532-31-0,Silver benzoate,silver(1+) benzoate,[Ag+].[O-]C(=O)c1ccccc1,[Ag+].[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.Ag/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",C7H6O2.Ag,,,,,,CLDWGXZGFUNWKB-UHFFFAOYSA-M,,,,,,,,,,,
100.007.761,208-535-3,532-34-3,"Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylate","butyl 2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylate",CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,"InChI=1/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3",C12H18O4,,,,,,OKIJSNGRQAOIGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.774,208-550-5,532-96-7,2'-phenylbenzohydrazide,N'-phenylbenzohydrazide,O=C(NNc1ccccc1)c2ccccc2,O=C(NNc1ccccc1)c2ccccc2,"InChI=1/C13H12N2O/c16-13(11-7-3-1-4-8-11)15-14-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)",C13H12N2O,,,,,,CKLPECFHCLIYKN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.776,208-552-6,533-01-7,Copper dibenzoate,copper(2+) dibenzoate,[Cu+2].[O-]C(=O)C=1/C=C\\C=C/C=1.[O-]C(=O)c1ccccc1,[Cu+2].[O-]C(=O)C=1/C=C\C=C/C=1.[O-]C(=O)c1ccccc1,"InChI=1/2C7H6O2.Cu/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Cu,,,,,,YEOCHZFPBYUXMC-UHFFFAOYSA-L,,,,,,,,,,,
100.007.779,208-555-2,533-17-5,2'-chloroacetanilide,N-(2-chlorophenyl)acetamide,CC(=O)Nc1ccccc1Cl,CC(=O)Nc1ccccc1Cl,"InChI=1/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)",C8H8ClNO,,,,,,KNVQTRVKSOEHPU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.780,208-556-8,533-18-6,o-tolyl acetate,2-methylphenyl acetate,CC(=O)Oc1ccccc1C,CC(=O)Oc1ccccc1C,"InChI=1/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3",C9H10O2,,,,,,AMZORBZSQRUXNC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.784,208-561-5,533-31-3,"3,4-(methylenedioxy)phenol","1,3-benzodioxol-5-ol",Oc1ccc2OCOc2c1,Oc1ccc2OCOc2c1,"InChI=1/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2",C7H6O3,,,,,,LUSZGTFNYDARNI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.788,208-565-7,533-45-9,Clomethiazole,"5-(2-chloroethyl)-4-methyl-1,3-thiazole",Cc1ncsc1CCCl,Cc1ncsc1CCCl,"InChI=1/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3",C6H8ClNS,,,,,,PCLITLDOTJTVDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.792,208-569-9,533-58-4,2-iodophenol,2-iodophenol,Oc1ccccc1I,Oc1ccccc1I,"InChI=1/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5IO,,,,,,KQDJTBPASNJQFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.793,208-570-4,533-60-8,2-hydroxycyclohexan-1-one,2-hydroxycyclohexanone,OC1CCCCC1=O,OC1CCCCC1=O,"InChI=1/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2",C6H10O2,,,,,,ODZTXUXIYGJLMC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.392,208-130-1,511-59-1,(1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane,2-methyl-3-methylene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane,CC(=CCC[C@]1(C)[C@H]2CC[C@H](C2)C1=C)C,CC(=CCC[C@]1(C)[C@H]2CC[C@H](C2)C1=C)C,"InChI=1/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3",C15H24,,,,,,PGBNIHXXFQBCPU-ILXRZTDVSA-N,,,,,,,,,,,
100.007.395,208-133-8,511-75-1,"5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione","5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione",CC1(NC(=O)NC1=O)C(Br)C(Br)c2ccccc2,CC1(NC(=O)NC1=O)C(Br)C(Br)c2ccccc2,"InChI=1/C12H12Br2N2O2/c1-12(10(17)15-11(18)16-12)9(14)8(13)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H2,15,16,17,18)",C12H12Br2N2O2,,,,,,OVMOGYOGBCHGHY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.399,208-138-5,512-16-3,Cyclobutyrol,2-(1-hydroxycyclohexyl)butanoic acid,CCC(C(=O)O)C1(O)CCCCC1,CCC(C(=O)O)C1(O)CCCCC1,"InChI=1/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12)",C10H18O3,,,,,,NIVFTEMPSCMWDE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.407,208-146-9,512-69-6,Raffinose,beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2",C18H32O16,,,,,,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,,,,,,,,,,,
100.007.408,208-147-4,512-85-6,"1,4-epidioxy-2-p-menthene","1-isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene",CC(C)C12CCC(C)(OO1)C=C2,CC(C)C12CCC(C)(OO1)C=C2,"InChI=1/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3",C10H16O2,,,,,,MGYMHQJELJYRQS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.414,208-154-2,513-29-1,Triaminoacetic acid sulphate,triaminoacetic acid sulfate,NC(N)(N)C(=O)O.OS(=O)(=O)O,NC(N)(N)C(=O)O.OS(=O)(=O)O,"InChI=1/C2H7N3O2.H2O4S/c3-2(4,5)1(6)7;1-5(2,3)4/h3-5H2,(H,6,7);(H2,1,2,3,4)",C2H5NO2.1/3H2O4S,,,,,,YIRZJIWSDGABRE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.415,208-155-8,513-31-5,"2,3-dibromopropene","2,3-dibromoprop-1-ene",BrCC(=C)Br,BrCC(=C)Br,InChI=1/C3H4Br2/c1-3(5)2-4/h1-2H2,C3H4Br2,,,,,,YMFWYDYJHRGGPF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.416,208-156-3,513-35-9,2-methylbut-2-ene,2-methylbut-2-ene,CC=C(C)C,CC=C(C)C,"InChI=1/C5H10/c1-4-5(2)3/h4H,1-3H3",C5H10,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13878,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.416,BKOOMYPCSUNDGP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.220,209-041-0,553-53-7,Nicotinohydrazide,nicotinohydrazide,NNC(=O)c1cccnc1,NNC(=O)c1cccnc1,"InChI=1/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10)",C6H7N3O,,,,,,KFUSANSHCADHNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.235,209-057-8,554-00-7,"2,4-dichloroaniline","2,4-dichloroaniline",Nc1ccc(Cl)cc1Cl,Nc1ccc(Cl)cc1Cl,"InChI=1/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",C6H5Cl2N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1683,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.235,KQCMTOWTPBNWDB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.236,209-058-3,554-01-8,5-methylcytosine,4-amino-5-methylpyrimidin-2(1H)-one,CC1=CNC(=O)N=C1N,CC1=CNC(=O)N=C1N,"InChI=1/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)",C5H7N3O,,,,,,LRSASMSXMSNRBT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.247,209-070-9,554-72-3,Tryparsamide,sodium N~2~-[4-(hydroxyarsinato)phenyl]glycinamide,[Na+].NC(=O)CNc1ccc(cc1)[As](=O)(O)[O-],[Na+].NC(=O)CNc1ccc(cc1)[As](=O)(O)[O-],"InChI=1/C8H11AsN2O4.Na/c10-8(12)5-11-7-3-1-6(2-4-7)9(13,14)15;/h1-4,11H,5H2,(H2,10,12)(H2,13,14,15);/q;+1/p-1",C8H11AsN2O4.Na,,,,,,UEYIAABRKWHXJV-UHFFFAOYSA-M,,,,,,,,,,,
100.008.248,209-071-4,554-73-4,Sodium 4-[[4-(anilino)phenyl]azo]benzenesulphonate,sodium 4-[(4-anilinophenyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c3ccc(N=Nc2ccc(Nc1ccccc1)cc2)cc3,[Na+].[O-]S(=O)(=O)c3ccc(N=Nc2ccc(Nc1ccccc1)cc2)cc3,"InChI=1/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1",C18H15N3O3S.Na,,,,,,MLVYOYVMOZFHIU-UHFFFAOYSA-M,,,,,,,,,,,
100.008.249,209-073-5,554-84-7,3-nitrophenol,3-nitrophenol,Oc1cccc(c1)[N+](=O)[O-],Oc1cccc(c1)[N+](=O)[O-],"InChI=1/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H",C6H5NO3,,,,,,RTZZCYNQPHTPPL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.252,209-076-1,554-94-9,N-glycyl-L-methionine,glycyl-L-methionine,CSCC[C@H](NC(=O)CN)C(=O)O,CSCC[C@H](NC(=O)CN)C(=O)O,"InChI=1/C7H14N2O3S/c1-13-3-2-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)",C7H14N2O3S,,,,,,PFMUCCYYAAFKTH-YFKPBYRVSA-N,,,,,,,,,,,
100.008.260,209-085-0,555-21-5,4-nitrophenylacetonitrile,(4-nitrophenyl)acetonitrile,[O-][N+](=O)c1ccc(CC#N)cc1,[O-][N+](=O)c1ccc(CC#N)cc1,"InChI=1/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2",C8H6N2O2,,,,,,PXNJGLAVKOXITN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.263,209-088-7,555-29-3,3-hydroxy-a-methyl-DL-tyrosine,3-hydroxy-alpha-methyl-D-tyrosine,C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O,C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O,"InChI=1/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)",C10H13NO4,,,,,,CJCSPKMFHVPWAR-SNVBAGLBSA-N,,,,,,,,,,,
100.006.573,207-229-7,454-90-0,3-(trifluoromethyl)anisole,1-methoxy-3-(trifluoromethyl)benzene,COc1cccc(c1)C(F)(F)F,COc1cccc(c1)C(F)(F)F,"InChI=1/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3",C8H7F3O,,,,,,XHONYVFDZSPELQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.935,226-329-1,5351-69-9,4-(phenyl)thiosemicarbazide,N-phenylhydrazinecarbothioamide,NNC(=S)Nc1ccccc1,NNC(=S)Nc1ccccc1,"InChI=1/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)",C7H9N3S,,,,,,KKIGUVBJOHCXSP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.944,226-339-6,5355-68-0,1-(isopropyl)-4-piperidone,1-isopropylpiperidin-4-one,CC(C)N1CCC(=O)CC1,CC(C)N1CCC(=O)CC1,"InChI=1/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3",C8H15NO,,,,,,CCDBCHAQIXKJCG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.947,226-342-2,5356-84-3,"1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy)-3-vinyltrisiloxane","1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]-3-vinyltrisiloxane",C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C=C,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C=C,"InChI=1/C11H30O3Si4/c1-11-18(12-15(2,3)4,13-16(5,6)7)14-17(8,9)10/h11H,1H2,2-10H3",C11H30O3Si4,,,,,,CHEFFAKKAFRMHG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.576,230-333-9,7054-25-3,Quinidine gluconate,6'-methoxycinchonan-9-ol - D-gluconic acid (1:1),COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C20H24N2O2.C6H12O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)",C20H24N2O2.C6H12O7,,,,,,XHKUDCCTVQUHJQ-LCYSNFERSA-N,,,,,,,,,,,
100.027.579,230-337-0,7057-56-9,"3,7-bis(dimethylamino)phenoxazin-5-ium chloride, compound with zinc chloride","3,7-bis(dimethylamino)phenoxazin-5-ium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc2nc3ccc(cc3[o+]c2c1)N(C)C,[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc2nc3ccc(cc3[o+]c2c1)N(C)C,"InChI=1/C16H18N3O.3ClH.Zn/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;;/h5-10H,1-4H3;3*1H;/q+1;;;;+2/p-3",C16H18N3O.xCl2Zn.Cl,,,,,,UNIXSDSNQIVOEI-UHFFFAOYSA-K,,,,,,,,,,,
100.027.581,230-339-1,7057-68-3,"3,5-diamino-4-chlorobenzenesulphonic acid","3,5-diamino-4-chlorobenzenesulfonic acid",Nc1cc(cc(N)c1Cl)S(=O)(=O)O,Nc1cc(cc(N)c1Cl)S(=O)(=O)O,"InChI=1/C6H7ClN2O3S/c7-6-4(8)1-3(2-5(6)9)13(10,11)12/h1-2H,8-9H2,(H,10,11,12)",C6H7ClN2O3S,,,,,,PIJNMVNHBRSTEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.586,230-344-9,7059-15-6,"O,O-diisopentyl hydrogen dithiophosphate, zinc salt",-,[Zn+2].CC(C)CCOP(=S)(S)OCCC(C)C,[Zn+2].CC(C)CCOP(=S)(S)OCCC(C)C,"InChI=1/C10H23O2PS2.Zn/c1-9(2)5-7-11-13(14,15)12-8-6-10(3)4;/h9-10H,5-8H2,1-4H3,(H,14,15);/q;+2",C10H23O2PS2.1/2Zn,,,,,,KTLXRXNQIRTALE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.593,230-352-2,7064-40-6,"4,5-dimethylisoxazole","4,5-dimethylisoxazole",Cc1oncc1C,Cc1oncc1C,"InChI=1/C5H7NO/c1-4-3-6-7-5(4)2/h3H,1-2H3",C5H7NO,,,,,,BSWGZCMLNFBDEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.594,230-353-8,7064-71-3,"5-methyl 3-phenylpropyl 5-carboxylato-a-cyano-1,3,3-trimethylindoline-<U+0394>2,<U+03B3>-crotonate","methyl 2-[3-cyano-4-oxo-4-(3-phenylpropoxy)but-2-en-1-ylidene]-1,3,3-trimethylindoline-5-carboxylate",COC(=O)c1ccc2N(C)C(=CC=C(C#N)C(=O)OCCCc3ccccc3)C(C)(C)c2c1,COC(=O)c1ccc2N(C)C(=CC=C(C#N)C(=O)OCCCc3ccccc3)C(C)(C)c2c1,"InChI=1/C27H28N2O4/c1-27(2)22-17-20(25(30)32-4)12-14-23(22)29(3)24(27)15-13-21(18-28)26(31)33-16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17H,8,11,16H2,1-4H3",C27H28N2O4,,,,,,PTQRSTLQMHJFDC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.595,230-354-3,7065-13-6,Potassium hexadecyl sulphate,potassium hexadecyl sulfate,[K+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[K+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C16H34O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1",C16H34O4S.K,,,,,,GBEYVKHMIPVAHD-UHFFFAOYSA-M,,,,,,,,,,,
100.027.598,230-358-5,7067-44-9,Butyltricyclohexylstannane,butyl(tricyclohexyl)stannane,CCCC[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3,"InChI=1/3C6H11.C4H9.Sn/c3*1-2-4-6-5-3-1;1-3-4-2;/h3*1H,2-6H2;1,3-4H2,2H3;/rC22H42Sn/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h20-22H,2-19H2,1H3",C22H42Sn,,,,,,VLPGTXIBYJXPOB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.600,230-360-6,8/05/7069,Calcium di(quinolin-8-olate),calcium diquinolin-8-olate,[Ca+2].[O-]c1cccc2cccnc12.[O-]c3cccc4cccnc34,[Ca+2].[O-]c1cccc2cccnc12.[O-]c3cccc4cccnc34,"InChI=1/2C9H7NO.Ca/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2",C9H7NO.1/2Ca,,,,,,SSRDUXKBRJYDLX-UHFFFAOYSA-L,,,,,,,,,,,
100.027.613,230-374-2,7076-91-7,cis-2-methylcyclohexanecarboxylic acid,2-methylcyclohexanecarboxylic acid,C[C@@H]1CCCC[C@@H]1C(=O)O,C[C@@H]1CCCC[C@@H]1C(=O)O,"InChI=1/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)",C8H14O2,,,,,,VSKXJRZPVDLHFY-RQJHMYQMSA-N,,,,,,,,,,,
100.008.180,208-997-6,551-62-2,"1,2,3,4-tetrafluorobenzene","1,2,3,4-tetrafluorobenzene",Fc1ccc(F)c(F)c1F,Fc1ccc(F)c(F)c1F,InChI=1/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,C6H2F4,,,,,,SOZFIIXUNAKEJP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.182,208-999-7,551-68-8,D-Psicose,D-psicose,OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO,OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2",C6H12O6,,,,,,BJHIKXHVCXFQLS-PUFIMZNGSA-N,,,,,,,,,,,
100.008.187,209-004-9,552-16-9,2-nitrobenzoic acid,2-nitrobenzoic acid,OC(=O)c1ccccc1[N+](=O)[O-],OC(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)",C7H5NO4,,,,,,SLAMLWHELXOEJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.194,209-012-2,552-41-0,2'-hydroxy-4'-methoxyacetophenone,1-(2-hydroxy-4-methoxyphenyl)ethanone,COc1ccc(C(=O)C)c(O)c1,COc1ccc(C(=O)C)c(O)c1,"InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3",C9H10O3,,,,,,UILPJVPSNHJFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.198,209-016-4,552-58-9,"(S)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one",Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3,Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3,"InChI=1/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2",C15H12O6,,,,,,SBHXYTNGIZCORC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.201,209-020-6,552-63-6,(±)-(hydroxymethyl)phenylacetic acid,tropic acid,OCC(C(=O)O)c1ccccc1,OCC(C(=O)O)c1ccccc1,"InChI=1/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",C9H10O3,,,,,,JACRWUWPXAESPB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.203,209-022-7,552-79-4,N-methylephedrine,2-(dimethylamino)-1-phenylpropan-1-ol,C[C@@H]([C@H](O)c1ccccc1)N(C)C,C[C@@H]([C@H](O)c1ccccc1)N(C)C,"InChI=1/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3",C11H17NO,,,,,,FMCGSUUBYTWNDP-ONGXEEELSA-N,,,,,,,,,,,
100.008.204,209-023-2,552-82-9,Methyldiphenylamine,N-methyl-N-phenylaniline,CN(c1ccccc1)c2ccccc2,CN(c1ccccc1)c2ccccc2,"InChI=1/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",C13H13N,,,,,,DYFFAVRFJWYYQO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.206,209-025-3,552-89-6,2-nitrobenzaldehyde,2-nitrobenzaldehyde,[O-][N+](=O)c1ccccc1C=O,[O-][N+](=O)c1ccccc1C=O,InChI=1/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,C7H5NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6095,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.206,CMWKITSNTDAEDT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.208,209-027-4,552-94-3,Salsalate,2-[(2-hydroxybenzoyl)oxy]benzoic acid,OC(=O)c1ccccc1OC(=O)c2ccccc2O,OC(=O)c1ccccc1OC(=O)c2ccccc2O,"InChI=1/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)",C14H10O5,,,,,,WVYADZUPLLSGPU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.522,207-172-8,446-55-9,3-chloro-2-methylbenzenediazonium tetrafluoroborate,3-chloro-2-methylbenzenediazonium tetrafluoroborate,Cc1c(Cl)cccc1[N+]#N.F[B-](F)(F)F,Cc1c(Cl)cccc1[N+]#N.F[B-](F)(F)F,"InChI=1/C7H6ClN2.BF4/c1-5-6(8)3-2-4-7(5)10-9;2-1(3,4)5/h2-4H,1H3;/q+1;-1",C7H6ClN2.BF4,,,,,,FGDIXZONYONKRC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.525,207-175-4,446-86-6,Azathioprine,6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine,Cn1cnc(c1Sc2ncnc3nc[nH]c23)N(=O)=O,Cn1cnc(c1Sc2ncnc3nc[nH]c23)N(=O)=O,"InChI=1/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)",C9H7N7O2S,,,,,,LMEKQMALGUDUQG-UHFFFAOYSA-N,Negative,,,,,,SM832851,[M-H]-,HCD35,276.0309:158.003:134.0232,CASMI_2016
100.006.537,207-189-0,449-81-0,4-[(4-fluorophenyl)methylene]-2-phenyloxazol-5(4H)-one,"4-(4-fluorobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one",O=C2O\\C(=N/C2=Cc1ccc(F)cc1)c3ccccc3,O=C2O\C(=N/C2=Cc1ccc(F)cc1)c3ccccc3,InChI=1/C16H10FNO2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H,C16H10FNO2,,,,,,GGMAOSAZKMNBHB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.540,207-192-7,451-13-8,"(2,5-dihydroxyphenyl)acetic acid","(2,5-dihydroxyphenyl)acetic acid",OC(=O)Cc1cc(O)ccc1O,OC(=O)Cc1cc(O)ccc1O,"InChI=1/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",C8H8O4,,,,,,IGMNYECMUMZDDF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.543,207-195-3,451-69-4,2-fluorocinnamic acid,3-(2-fluorophenyl)acrylic acid,OC(=O)\\C=C\\c1ccccc1F,OC(=O)\C=C\c1ccccc1F,"InChI=1/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)",C9H7FO2,,,,,,IOUDZAFBPDDAMK-AATRIKPKSA-N,,,,,,,,,,,
100.006.545,207-197-4,452-06-2,1H-purin-2-amine,1H-purin-2-amine,Nc1nc2ncnc2c[nH]1,Nc1nc2ncnc2c[nH]1,"InChI=1/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)",C5H5N5,,,,,,MWBWWFOAEOYUST-UHFFFAOYSA-N,,,,,,,,,,,
100.006.556,207-210-3,452-75-5,4-chloro-2-fluorotoluene,4-chloro-2-fluoro-1-methylbenzene,Cc1ccc(Cl)cc1F,Cc1ccc(Cl)cc1F,"InChI=1/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3",C7H6ClF,,,,,,MKFCYQTVSDCXAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.559,207-214-5,452-86-8,4-methylpyrocatechol,"4-methylbenzene-1,2-diol",Cc1ccc(O)c(O)c1,Cc1ccc(O)c(O)c1,"InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3",C7H8O2,,,,,,ZBCATMYQYDCTIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.797,208-575-1,533-73-3,"Benzene-1,2,4-triol","benzene-1,2,4-triol",Oc1ccc(O)c(O)c1,Oc1ccc(O)c(O)c1,"InChI=1/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H",C6H6O3,,,,,,GGNQRNBDZQJCCN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.803,208-581-4,533-98-2,"1,2-dibromobutane","1,2-dibromobutane",CCC(Br)CBr,CCC(Br)CBr,"InChI=1/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3",C4H8Br2,,,,,,CZWSZZHGSNZRMW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.725,208-496-2,530-85-8,2-nitrophenylpropiolic acid,3-(2-nitrophenyl)prop-2-ynoic acid,OC(=O)C#Cc1ccccc1[N+](=O)[O-],OC(=O)C#Cc1ccccc1[N+](=O)[O-],"InChI=1/C9H5NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,(H,11,12)",C9H5NO4,,,,,,KVOGJHABINNFCY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.726,208-497-8,530-91-6,"1,2,3,4-tetrahydronaphthalen-2-ol","1,2,3,4-tetrahydronaphthalen-2-ol",OC1CCc2ccccc2C1,OC1CCc2ccccc2C1,"InChI=1/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2",C10H12O,,,,,,JWQYZECMEPOAPF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.731,208-502-3,531-14-6,"3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic acid","3,3',3'',3'''-(3,8,13,18-tetramethylporphine-2,7,12,17-tetrayl)tetrapropanoic acid",CC1=C(CCC(=O)O)C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5CCC(=O)O)C)C(=C4CCC(=O)O)C)C(=C3CCC(=O)O)C,CC1=C(CCC(=O)O)C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5CCC(=O)O)C)C(=C4CCC(=O)O)C)C(=C3CCC(=O)O)C,"InChI=1/C36H36N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)",C36H38N4O8,,,,,,NQBIKNWQKZFJFX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.737,208-509-1,531-52-2,"1,3,5-triphenylformazan",1-(diphenylcarbonohydrazonoyl)-2-phenyldiazene,N(\\N=C(\\N=Nc1ccccc1)/c2ccccc2)c3ccccc3,N(\N=C(\N=Nc1ccccc1)/c2ccccc2)c3ccccc3,"InChI=1/C19H16N4/c1-4-10-16(11-5-1)19(22-20-17-12-6-2-7-13-17)23-21-18-14-8-3-9-15-18/h1-15,20H",C19H16N4,,,,,,BEIHVSJTPTXQGB-QIXACUJNSA-N,,,,,,,,,,,
100.007.745,208-518-0,531-81-7,2-oxo-2H-chromene-3-carboxylic acid,2-oxo-2H-chromene-3-carboxylic acid,OC(=O)C1=Cc2ccccc2OC1=O,OC(=O)C1=Cc2ccccc2OC1=O,"InChI=1/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)",C10H6O4,,,,,,ACMLKANOGIVEPB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.749,208-522-2,531-95-3,"(S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol",3-(4-hydroxyphenyl)chroman-7-ol,Oc1ccc(cc1)[C@H]2COc3cc(O)ccc3C2,Oc1ccc(cc1)[C@H]2COc3cc(O)ccc3C2,"InChI=1/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2",C15H14O3,,,,,,ADFCQWZHKCXPAJ-GFCCVEGCSA-N,,,,,,,,,,,
100.008.750,209-623-4,588-63-6,3-bromopropyl phenyl ether,(3-bromopropoxy)benzene,BrCCCOc1ccccc1,BrCCCOc1ccccc1,"InChI=1/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C9H11BrO,,,,,,NIDWUZTTXGJFNN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.752,209-626-0,588-67-0,Benzyl butyl ether,(butoxymethyl)benzene,CCCCOCc1ccccc1,CCCCOCc1ccccc1,"InChI=1/C11H16O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",C11H16O,,,,,,MAYUYFCAPVDYBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.755,209-629-7,588-96-5,4-bromophenetole,1-bromo-4-ethoxybenzene,CCOc1ccc(Br)cc1,CCOc1ccc(Br)cc1,"InChI=1/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",C8H9BrO,,,,,,WVUYYXUATWMVIT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.760,209-634-4,589-10-6,2-bromoethyl phenyl ether,(2-bromoethoxy)benzene,BrCCOc1ccccc1,BrCCOc1ccccc1,"InChI=1/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9BrO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16704,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.760,JJFOBACUIRKUPN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.767,209-642-8,589-33-3,1-butylpyrrole,1-butyl-1H-pyrrole,CCCCn1cccc1,CCCCn1cccc1,"InChI=1/C8H13N/c1-2-3-6-9-7-4-5-8-9/h4-5,7-8H,2-3,6H2,1H3",C8H13N,,,,,,IIYSNNBEZBAQCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.769,209-644-9,589-35-5,3-methylpentan-1-ol,3-methylpentan-1-ol,CCC(C)CCO,CCC(C)CCO,"InChI=1/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3",C6H14O,,,,,,IWTBVKIGCDZRPL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.098,207-806-3,495-69-2,Hippuric acid,N-benzoylglycine,OC(=O)CNC(=O)c1ccccc1,OC(=O)CNC(=O)c1ccccc1,"InChI=1/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)",C9H9NO3,,,,,,QIAFMBKCNZACKA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.114,207-824-1,496-65-1,"(R)-2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide","2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS,"InChI=1/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)",C11H22N2O4S,,,,,,ZNXZGRMVNNHPCA-VIFPVBQESA-N,,,,,,,,,,,
100.006.580,207-237-0,455-15-2,1-fluoro-4-(methylsulphonyl)benzene,1-fluoro-4-(methylsulfonyl)benzene,CS(=O)(=O)c1ccc(F)cc1,CS(=O)(=O)c1ccc(F)cc1,"InChI=1/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7FO2S,,,,,,DPJHZJGAGIWXTD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.584,207-241-2,455-20-9,p-ethylbenzenesulphonyl fluoride,4-ethylbenzenesulfonyl fluoride,CCc1ccc(cc1)S(=O)(=O)F,CCc1ccc(cc1)S(=O)(=O)F,"InChI=1/C8H9FO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3",C8H9FO2S,,,,,,YKTVOVMXBLLWNM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.585,207-242-8,455-24-3,"a,a,a-trifluoro-p-toluic acid",4-(trifluoromethyl)benzoic acid,OC(=O)c1ccc(cc1)C(F)(F)F,OC(=O)c1ccc(cc1)C(F)(F)F,"InChI=1/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)",C8H5F3O2,,,,,,SWKPKONEIZGROQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.586,207-243-3,455-26-5,4-(fluorosulphonyl)benzoic acid,4-(fluorosulfonyl)benzoic acid,OC(=O)c1ccc(cc1)S(=O)(=O)F,OC(=O)c1ccc(cc1)S(=O)(=O)F,"InChI=1/C7H5FO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",C7H5FO4S,,,,,,DJUJJHDCOUPERR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.590,207-248-0,455-38-9,3-fluorobenzoic acid,3-fluorobenzoic acid,OC(=O)c1cccc(F)c1,OC(=O)c1cccc(F)c1,"InChI=1/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",C7H5FO2,,,,,,MXNBDFWNYRNIBH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.592,207-250-1,455-87-8,4-amino-3-fluorobenzoic acid,4-amino-3-fluorobenzoic acid,Nc1ccc(cc1F)C(=O)O,Nc1ccc(cc1F)C(=O)O,"InChI=1/C7H6FNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)",C7H6FNO2,,,,,,JSKXHTHMCCDEGD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.594,207-252-2,455-90-3,5-nitrotoluene-2-diazonium tetrafluoroborate,2-methyl-4-nitrobenzenediazonium tetrafluoroborate,Cc1cc(ccc1[N+]#N)[N+](=O)[O-].F[B-](F)(F)F,Cc1cc(ccc1[N+]#N)[N+](=O)[O-].F[B-](F)(F)F,"InChI=1/C7H6N3O2.BF4/c1-5-4-6(10(11)12)2-3-7(5)9-8;2-1(3,4)5/h2-4H,1H3;/q+1;-1",C7H6N3O2.BF4,,,,,,YCUOHOLXGMMPNC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.600,207-259-0,456-22-4,4-fluorobenzoic acid,4-fluorobenzoic acid,OC(=O)c1ccc(F)cc1,OC(=O)c1ccc(F)cc1,"InChI=1/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",C7H5FO2,,,,,,BBYDXOIZLAWGSL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.603,207-262-7,456-39-3,3-chlorobenzenediazonium tetrafluoroborate,3-chlorobenzenediazonium tetrafluoroborate,F[B-](F)(F)F.Clc1cccc(c1)[N+]#N,F[B-](F)(F)F.Clc1cccc(c1)[N+]#N,"InChI=1/C6H4ClN2.BF4/c7-5-2-1-3-6(4-5)9-8;2-1(3,4)5/h1-4H;/q+1;-1",C6H4ClN2.BF4,,,,,,LCEJXKGRCHEHOK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.612,207-272-1,456-88-2,3-fluoro-3-phenylalanine,beta-fluorophenylalanine,NC(C(F)c1ccccc1)C(=O)O,NC(C(F)c1ccccc1)C(=O)O,"InChI=1/C9H10FNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)",C9H10FNO2,,,,,,HECUEIAXNNOLLY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.622,207-283-1,458-92-4,"a,a-difluoroanisole",(difluoromethoxy)benzene,FC(F)Oc1ccccc1,FC(F)Oc1ccccc1,"InChI=1/C7H6F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H",C7H6F2O,,,,,,LMVBQQAXGZVBFH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.624,207-285-2,459-19-8,4-fluorophenethylamine hydrochloride,2-(4-fluorophenyl)ethanamine hydrochloride,Cl.NCCc1ccc(F)cc1,Cl.NCCc1ccc(F)cc1,"InChI=1/C8H10FN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H",C8H10FN.ClH,,,,,,LDSVEOCTJMJEQM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.139,210-052-8,603-67-8,Diethyl nitromalonate,diethyl nitromalonate,CCOC(=O)C(C(=O)OCC)[N+](=O)[O-],CCOC(=O)C(C(=O)OCC)[N+](=O)[O-],"InChI=1/C7H11NO6/c1-3-13-6(9)5(8(11)12)7(10)14-4-2/h5H,3-4H2,1-2H3",C7H11NO6,,,,,,DAKKWKYIQGMKOS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.144,210-058-0,603-79-2,"2,3-dimethylbenzoic acid","2,3-dimethylbenzoic acid",Cc1cccc(C(=O)O)c1C,Cc1cccc(C(=O)O)c1C,"InChI=1/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O2,,,,,,RIZUCYSQUWMQLX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.148,210-062-2,604-09-1,"17a-hydroxypregn-4-ene-3,20-dione","17-hydroxypregn-4-ene-3,20-dione",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3",C21H30O3,,,,,,DBPWSSGDRRHUNT-CEGNMAFCSA-N,,,,,,,,,,,
100.009.149,210-063-8,604-26-2,17ß-hydroxy-1a-methylandrost-4-ene-3-one,17-hydroxy-1-methylandrost-4-en-3-one,C[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C,C[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C,"InChI=1/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h11-12,15-18,22H,4-10H2,1-3H3",C20H30O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16758,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.149,KROXBRXHRBCDNO-IFMMWYRXSA-N,,,,,,,,,,,
100.009.154,210-069-0,604-51-3,Deptropine,"3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane",CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5ccccc35,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5ccccc35,"InChI=1/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3",C23H27NO,,,,,,ZWPODSUQWXAZNC-PMOLBWCYSA-N,,,,,,,,,,,
100.027.619,230-381-0,7082-34-0,"(3ß,5ß)-3-[(2,6-dideoxy-4-O-ß-D-glucopyranosyl-ß-D\-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide","3-[(2,6-dideoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide",CC1OC(CC(O)C1OC2OC(CO)C(O)C(O)C2O)OC3CCC4(C=O)C5CCC6(C)C(CCC6(O)C5CCC4(O)C3)C7=CC(=O)OC7,CC1OC(CC(O)C1OC2OC(CO)C(O)C(O)C2O)OC3CCC4(C=O)C5CCC6(C)C(CCC6(O)C5CCC4(O)C3)C7=CC(=O)OC7,"InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3",C35H52O14,,,,,,KQBVSIZPUWODNU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.621,230-383-1,9/11/7084,"N'-(ethylcarbonimidoyl)-N,N-dimethylpropane-1,3-diamine hydrochloride",N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide hydrochloride,Cl.CCN=C=NCCCN(C)C,Cl.CCN=C=NCCCN(C)C,"InChI=1/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H",C8H17N3.xClH,,,,,,FPQQSJJWHUJYPU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.337,226-771-5,8/06/5466,Ethyl 3-mercaptopropionate,ethyl 3-sulfanylpropanoate,CCOC(=O)CCS,CCOC(=O)CCS,"InChI=1/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3",C5H10O2S,,,,,,CJQWLNNCQIHKHP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.340,226-774-1,5466-76-2,Isopropyl p-methoxycinnamate,isopropyl 3-(4-methoxyphenyl)acrylate,COc1ccc(\\C=C\\C(=O)OC(C)C)cc1,COc1ccc(\C=C\C(=O)OC(C)C)cc1,"InChI=1/C13H16O3/c1-10(2)16-13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3",C13H16O3,,,,,,XATKDVHSLQMHSY-RMKNXTFCSA-N,,,,,,,,,,,
100.024.353,226-788-8,5468-67-7,"Pyrimidine-4,6-diamine hydrochloride","pyrimidine-4,6-diamine hydrochloride",Cl.Nc1cc(N)ncn1,Cl.Nc1cc(N)ncn1,"InChI=1/C4H6N4.ClH/c5-3-1-4(6)8-2-7-3;/h1-2H,(H4,5,6,7,8);1H",C4H6N4.ClH,,,,,,MVZWLBUGTZKZMN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.360,226-796-1,5469-69-2,6-chloropyridazin-3-amine,6-chloropyridazin-3-amine,Nc1ccc(Cl)nn1,Nc1ccc(Cl)nn1,"InChI=1/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)",C4H4ClN3,,,,,,DTXVKPOKPFWSFF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.361,226-797-7,4/06/5470,"p-(2,5-dioxo-1-pyrrolidinyl)benzenesulphonamide","4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide",NS(=O)(=O)c1ccc(cc1)N2C(=O)CCC2=O,NS(=O)(=O)c1ccc(cc1)N2C(=O)CCC2=O,"InChI=1/C10H10N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2,(H2,11,15,16)",C10H10N2O4S,,,,,,CXYJOKAZIWXRHN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.362,226-798-2,1/11/5470,Hydroxylammonium chloride,hydroxyammonium chloride,[Cl-].[NH3+]O,[Cl-].[NH3+]O,"InChI=1/ClH.H4NO/c;1-2/h1H;2H,1H3/q;+1/p-1",ClH.H3NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13393,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.362,WCYJQVALWQMJGE-UHFFFAOYSA-M,,,,,,,,,,,
100.024.364,226-800-1,5470-26-8,Ethyl pyrrolidine-1-carboxylate,ethyl pyrrolidine-1-carboxylate,CCOC(=O)N1CCCC1,CCOC(=O)N1CCCC1,"InChI=1/C7H13NO2/c1-2-10-7(9)8-5-3-4-6-8/h2-6H2,1H3",C7H13NO2,,,,,,WGTHNNRORWFTFA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.365,226-801-7,5470-28-0,"Diethyl piperazine-1,4-dicarboxylate","diethyl piperazine-1,4-dicarboxylate",CCOC(=O)N1CCN(CC1)C(=O)OCC,CCOC(=O)N1CCN(CC1)C(=O)OCC,"InChI=1/C10H18N2O4/c1-3-15-9(13)11-5-7-12(8-6-11)10(14)16-4-2/h3-8H2,1-2H3",C10H18N2O4,,,,,,NAEAAGULDNVNCW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.368,226-804-3,5470-96-2,Quinoline-2-carbaldehyde,quinoline-2-carbaldehyde,O=Cc1ccc2ccccc2n1,O=Cc1ccc2ccccc2n1,InChI=1/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H,C10H7NO,,,,,,WPYJKGWLDJECQD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.370,226-806-4,5471-51-2,4-(4-hydroxyphenyl)butan-2-one,4-(4-hydroxyphenyl)butan-2-one,CC(=O)CCc1ccc(O)cc1,CC(=O)CCc1ccc(O)cc1,"InChI=1/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3",C10H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12633,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.370,NJGBTKGETPDVIK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.959,230-755-3,9/12/7306,3-phenylbut-3-enyl acetate,3-phenylbut-3-en-1-yl acetate,CC(=O)OCCC(=C)c1ccccc1,CC(=O)OCCC(=C)c1ccccc1,"InChI=1/C12H14O2/c1-10(8-9-14-11(2)13)12-6-4-3-5-7-12/h3-7H,1,8-9H2,2H3",C12H14O2,,,,,,RIKRCGVPSVKZJW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.961,230-757-4,7306-68-5,6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine,6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine,Clc1ncnc2c1ncn2C3CCCCO3,Clc1ncnc2c1ncn2C3CCCCO3,"InChI=1/C10H11ClN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2",C10H11ClN4O,,,,,,QSTASPNCKDPSAH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.967,230-764-2,7308-90-9,"3',6'-bis[(1-oxododecyl)oxy]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl didodecanoate",CCCCCCCCCCCC(=O)Oc1ccc2c(Oc3cc(OC(=O)CCCCCCCCCCC)ccc3C24OC(=O)c5ccccc45)c1,CCCCCCCCCCCC(=O)Oc1ccc2c(Oc3cc(OC(=O)CCCCCCCCCCC)ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C44H56O7/c1-3-5-7-9-11-13-15-17-19-25-41(45)48-33-27-29-37-39(31-33)50-40-32-34(49-42(46)26-20-18-16-14-12-10-8-6-4-2)28-30-38(40)44(37)36-24-22-21-23-35(36)43(47)51-44/h21-24,27-32H,3-20,25-26H2,1-2H3",C44H56O7,,,,,,MYTRGBGGRICZGN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.974,230-772-6,7311-34-4,"3,5-dimethoxybenzaldehyde","3,5-dimethoxybenzaldehyde",COc1cc(OC)cc(C=O)c1,COc1cc(OC)cc(C=O)c1,"InChI=1/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3",C9H10O3,,,,,,VFZRZRDOXPRTSC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.976,230-774-7,7314-32-1,(S)-amino-4-(methylsulphonyl)butyric acid,2-amino-4-(methylsulfonyl)butanoic acid,CS(=O)(=O)CC[C@H](N)C(=O)O,CS(=O)(=O)CC[C@H](N)C(=O)O,"InChI=1/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO4S,,,,,,UCUNFLYVYCGDHP-BYPYZUCNSA-N,,,,,,,,,,,
100.027.979,230-777-3,7314-85-4,"2-bromotricyclo[3.3.1.13,7]decane",2-bromoadamantane,BrC1C2CC3CC(CC1C3)C2,BrC1C2CC3CC(CC1C3)C2,"InChI=1/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2",C10H15Br,,,,,,RCXJARRRXOPXBC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.561,207-216-6,453-13-4,"1,3-difluoropropan-2-ol","1,3-difluoropropan-2-ol",OC(CF)CF,OC(CF)CF,"InChI=1/C3H6F2O/c4-1-3(6)2-5/h3,6H,1-2H2",C3H6F2O,,,,,,PVDLUGWWIOGCNH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.562,207-217-1,453-17-8,D-(+)-glyceraldehyde,"2,3-dihydroxypropanal",OCC(O)C=O,OCC(O)C=O,"InChI=1/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2",C3H6O3,,,,,,MNQZXJOMYWMBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.565,207-220-8,453-43-0,"1,1,1-trifluorooctan-2-ol","1,1,1-trifluorooctan-2-ol",CCCCCCC(O)C(F)(F)F,CCCCCCC(O)C(F)(F)F,"InChI=1/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3",C8H15F3O,,,,,,INAIBHXNHIEDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.566,207-221-3,453-71-4,4-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoic acid,OC(=O)c1ccc(F)c(c1)[N+](=O)[O-],OC(=O)c1ccc(F)c(c1)[N+](=O)[O-],"InChI=1/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)",C7H4FNO4,,,,,,BOJWTAQWPVBIPG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.567,207-222-9,454-29-5,DL-homocysteine,L-homocysteine,OC(=O)[C@@H](N)CCS,OC(=O)[C@@H](N)CCS,"InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)",C4H9NO2S,,,,,,FFFHZYDWPBMWHY-VKHMYHEASA-N,,,,,,,,,,,
100.006.570,207-226-0,454-78-4,2-bromo-1-chloro-4-(trifluoromethyl)benzene,2-bromo-1-chloro-4-(trifluoromethyl)benzene,FC(F)(F)c1ccc(Cl)c(Br)c1,FC(F)(F)c1ccc(Cl)c(Br)c1,"InChI=1/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H",C7H3BrClF3,,,,,,APSISOSWYXCEQX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.966,210-962-5,626-72-2,"[S-(R*,R*)]-4,4'-dithiobis[2-aminobutyric] acid","4,4'-disulfanediylbis(2-aminobutanoic acid)",NC(CCSSCCC(N)C(=O)O)C(=O)O,NC(CCSSCCC(N)C(=O)O)C(=O)O,"InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)",C8H16N2O4S2,,,,,,ZTVZLYBCZNMWCF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.967,210-963-0,626-77-7,Propyl hexanoate,propyl hexanoate,CCCCCC(=O)OCCC,CCCCCC(=O)OCCC,"InChI=1/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3",C9H18O2,,,,,,HTUIWRWYYVBCFT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.968,210-964-6,626-82-4,Butyl hexanoate,butyl hexanoate,CCCCCC(=O)OCCCC,CCCCCC(=O)OCCCC,"InChI=1/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3",C10H20O2,,,,,,RPRPDTXKGSIXMD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.969,210-965-1,626-85-7,Dibutyl sulphite,dibutyl sulfite,CCCCOS(=O)OCCCC,CCCCOS(=O)OCCCC,"InChI=1/C8H18O3S/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3",C8H18O3S,,,,,,FEYYOXFAQQJEIG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.970,210-966-7,626-86-8,Ethyl hydrogen adipate,6-ethoxy-6-oxohexanoic acid,CCOC(=O)CCCCC(=O)O,CCOC(=O)CCCCC(=O)O,"InChI=1/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)",C8H14O4,,,,,,UZNLHJCCGYKCIL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.972,210-968-8,626-88-0,1-bromo-4-methylpentane,1-bromo-4-methylpentane,CC(C)CCCBr,CC(C)CCCBr,"InChI=1/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3",C6H13Br,,,,,,XZKFBZOAIGFZSU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.974,210-970-9,626-90-4,3-methylbutyraldehyde oxime,3-methylbutanal oxime,CC(C)C\\C=N\\O,CC(C)C\C=N\O,"InChI=1/C5H11NO/c1-5(2)3-4-6-7/h4-5,7H,3H2,1-2H3",C5H11NO,,,,,,JAUPRNSQRRCCRR-GQCTYLIASA-N,,,,,,,,,,,
100.009.975,210-971-4,626-93-7,Hexan-2-ol,hexan-2-ol,CCCCC(C)O,CCCCC(C)O,"InChI=1/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3",C6H14O,,,,,,QNVRIHYSUZMSGM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.977,210-974-0,626-97-1,Valeramide,valeramide,CCCCC(=O)N,CCCCC(=O)N,"InChI=1/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)",C5H11NO,,,,,,IPWFJLQDVFKJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.983,210-980-3,627-05-4,1-nitrobutane,1-nitrobutane,CCCC[N+](=O)[O-],CCCC[N+](=O)[O-],"InChI=1/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3",C4H9NO2,,,,,,NALZTFARIYUCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.985,210-982-4,627-11-2,2-chloroethyl chloroformate,2-chloroethyl chlorocarbonate,ClCCOC(=O)Cl,ClCCOC(=O)Cl,InChI=1/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2,C3H4Cl2O2,,,,,,SVDDJQGVOFZBNX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.986,210-984-5,627-12-3,Propyl carbamate,propyl carbamate,CCCOC(=O)N,CCCOC(=O)N,"InChI=1/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)",C4H9NO2,,,,,,YNTOKMNHRPSGFU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.989,210-987-1,627-19-0,Pent-1-yne,pent-1-yne,CCCC#C,CCCC#C,"InChI=1/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3",C5H8,,,,,,IBXNCJKFFQIKKY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.994,210-992-9,627-30-5,3-chloropropan-1-ol,3-chloropropan-1-ol,OCCCCl,OCCCCl,"InChI=1/C3H7ClO/c4-2-1-3-5/h5H,1-3H2",C3H7ClO,,,,,,LAMUXTNQCICZQX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.995,210-993-4,627-31-6,"1,3-diiodopropane","1,3-diiodopropane",ICCCI,ICCCI,InChI=1/C3H6I2/c4-2-1-3-5/h1-3H2,C3H6I2,,,,,,AAAXMNYUNVCMCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.998,210-997-6,627-40-7,3-methoxypropene,3-methoxyprop-1-ene,COCC=C,COCC=C,"InChI=1/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3",C4H8O,,,,,,FASUFOTUSHAIHG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.115,207-825-7,496-67-3,Bromisoval,2-bromo-N-carbamoyl-3-methylbutanamide,CC(C)C(Br)C(=O)NC(=O)N,CC(C)C(Br)C(=O)NC(=O)N,"InChI=1/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)",C6H11BrN2O2,,,,,,CMCCHHWTTBEZNM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.120,207-830-4,496-77-5,5-hydroxyoctan-4-one,5-hydroxyoctan-4-one,CCCC(O)C(=O)CCC,CCCC(O)C(=O)CCC,"InChI=1/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3",C8H16O2,,,,,,BVEYJWQCMOVMAR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.126,207-837-2,497-18-7,Carbonohydrazide,carbonohydrazide,NNC(=O)NN,NNC(=O)NN,"InChI=1/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)",CH6N4O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13675,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.126,XEVRDFDBXJMZFG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.131,207-843-5,497-30-3,(S)-[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethylammonium hydroxide,"1-carboxy-N,N,N-trimethyl-2-(2-sulfanyl-1H-imidazol-4-yl)ethanaminium hydroxide",[OH-].C[N+](C)(C)[C@@H](Cc1c[nH]c(S)n1)C(=O)O,[OH-].C[N+](C)(C)[C@@H](Cc1c[nH]c(S)n1)C(=O)O,"InChI=1/C9H15N3O2S.H2O/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6;/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15);1H2",C9H15N3O2S,,,,,,ASLCFZLQPSYFND-FJXQXJEOSA-N,,,,,,,,,,,
100.007.132,207-844-0,497-36-9,Endo-bicyclo[2.2.1]heptan-2-ol,bicyclo[2.2.1]heptan-2-ol,O[C@@H]1C[C@@H]2CC[C@H]1C2,O[C@@H]1C[C@@H]2CC[C@H]1C2,"InChI=1/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2",C7H12O,,,,,,ZQTYQMYDIHMKQB-DSYKOEDSSA-N,,,,,,,,,,,
100.007.139,207-851-9,497-98-3,O-ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate,O-ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate,CCOC(=O)Sc1nccn1C,CCOC(=O)Sc1nccn1C,"InChI=1/C7H10N2O2S/c1-3-11-7(10)12-6-8-4-5-9(6)2/h4-5H,3H2,1-2H3",C7H10N2O2S,,,,,,IMXYRSSHUQHQBH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.140,207-852-4,498-00-0,4-hydroxy-3-methoxybenzyl alcohol,4-(hydroxymethyl)-2-methoxyphenol,COc1cc(CO)ccc1O,COc1cc(CO)ccc1O,"InChI=1/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3",C8H10O3,,,,,,ZENOXNGFMSCLLL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.142,207-855-0,498-07-7,"1,6-anhydro-ß-D-glucose","6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name)",O[C@@H]2[C@@H](O)[C@H](O)[C@@H]1O[C@H]2OC1,O[C@@H]2[C@@H](O)[C@H](O)[C@@H]1O[C@H]2OC1,"InChI=1/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2",C6H10O5,,,,,,TWNIBLMWSKIRAT-VFUOTHLCSA-N,,,,,,,,,,,
100.008.638,209-500-5,583-17-5,2-hydroxycinnamic acid,3-(2-hydroxyphenyl)acrylic acid,OC(=O)\\C=C\\c1ccccc1O,OC(=O)\C=C\c1ccccc1O,"InChI=1/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",C9H8O3,,,,,,PMOWTIHVNWZYFI-AATRIKPKSA-N,,,,,,,,,,,
100.008.639,209-501-0,583-19-7,2-bromophenetole,1-bromo-2-ethoxybenzene,CCOc1ccccc1Br,CCOc1ccccc1Br,"InChI=1/C8H9BrO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3",C8H9BrO,,,,,,JVEQWIQHHWNMQX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.640,209-502-6,583-39-1,Benzimidazole-2-thiol,1H-benzimidazole-2-thiol,Sc1nc2ccccc2[nH]1,Sc1nc2ccccc2[nH]1,"InChI=1/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)",C7H6N2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6188,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.640,YHMYGUUIMTVXNW-UHFFFAOYSA-N,Positive,SM820501,[M+H]+,HCD35,151.0324:93.0573:118.0525,CASMI_2016,,,,,
100.008.642,209-504-7,583-48-2,"3,4-dimethylhexane","3,4-dimethylhexane",CCC(C)C(C)CC,CCC(C)C(C)CC,"InChI=1/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3",C8H18,,,,,,RNTWWGNZUXGTAX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.651,209-514-1,583-61-9,"2,3-dimethylpyridine","2,3-dimethylpyridine",Cc1cccnc1C,Cc1cccnc1C,"InChI=1/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3",C7H9N,,,,,,HPYNZHMRTTWQTB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.654,209-517-8,583-70-0,4-bromo-m-xylene,"1-bromo-2,4-dimethylbenzene",Cc1ccc(Br)c(C)c1,Cc1ccc(Br)c(C)c1,"InChI=1/C8H9Br/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3",C8H9Br,,,,,,YSFLQVNTBBUKEA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.655,209-518-3,583-71-1,4-bromo-o-xylene,"4-bromo-1,2-dimethylbenzene",Cc1ccc(Br)cc1C,Cc1ccc(Br)cc1C,"InChI=1/C8H9Br/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3",C8H9Br,,,,,,QOGHRLGTXVMRLM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.658,209-522-5,583-87-9,"Ethyl 13,14-diiododocos-13-enoate","ethyl 13,14-diiododocos-13-enoate",CCOC(=O)CCCCCCCCCCCC(I)=C(I)CCCCCCCC,CCOC(=O)CCCCCCCCCCCC(I)=C(I)CCCCCCCC,"InChI=1/C24H44I2O2/c1-3-5-6-7-13-16-19-22(25)23(26)20-17-14-11-9-8-10-12-15-18-21-24(27)28-4-2/h3-21H2,1-2H3",C24H44I2O2,,,,,,WSQHMHDYNAVUJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.674,209-539-8,584-48-5,"1-bromo-2,4-dinitrobenzene","1-bromo-2,4-dinitrobenzene",[O-][N+](=O)c1ccc(Br)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Br)c(c1)[N+](=O)[O-],InChI=1/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,C6H3BrN2O4,,,,,,PBOPJYORIDJAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.688,209-555-5,585-38-6,m-hydroxybenzenesulphonic acid,3-hydroxybenzenesulfonic acid,Oc1cccc(c1)S(=O)(=O)O,Oc1cccc(c1)S(=O)(=O)O,"InChI=1/C6H6O4S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4,7H,(H,8,9,10)",C6H6O4S,,,,,,ZCLXQTGLKVQKFD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.689,209-556-0,585-47-7,"Benzene-1,3-di(sulphonyl chloride)","benzene-1,3-disulfonyl dichloride",ClS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl,ClS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl,"InChI=1/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H",C6H4Cl2O4S2,,,,,,ALIQZUMMPOYCIS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.157,210-072-7,604-60-4,"2,2'-binaphthyl-1,1'-diol","2,2'-binaphthalene-1,1'-diol",Oc1c(ccc2ccccc12)c3ccc4ccccc4c3O,Oc1c(ccc2ccccc12)c3ccc4ccccc4c3O,"InChI=1/C20H14O2/c21-19-15-7-3-1-5-13(15)9-11-17(19)18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12,21-22H",C20H14O2,,,,,,AGUJUBACOOIWDV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.159,210-074-8,604-69-3,ß-D-glucose pentaacetate,"1,2,3,4,6-penta-O-acetyl-beta-D-glucopyranose",O=C(C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,O=C(C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,"InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3",C16H22O11,,,,,,LPTITAGPBXDDGR-IBEHDNSVSA-N,,,,,,,,,,,
100.009.160,210-075-3,604-70-6,a-D-glucopyranoside methyl tetraacetate,"methyl 2,3,4,6-tetra-O-acetylhexopyranoside",COC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,COC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,"InChI=1/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3",C15H22O10,,,,,,UYWUMFGDPBMNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.169,210-085-8,605-32-3,2-hydroxyanthraquinone,"2-hydroxy-9,10-anthraquinone",Oc1ccc2C(=O)c3ccccc3C(=O)c2c1,Oc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H",C14H8O3,,,,,,GCDBEYOJCZLKMC-UHFFFAOYSA-N,Positive/Negative,UA002401|UA002403,[M+H]+,CID35|CID35,197.0596:153.0698:105.0334|197.0596:153.0699:169.0648,UFZ_Additional_Specs,SM828951;UA002402,[M-H]-;[M-H]-,HCD35;CID35,223.04:195.0451;195.0452:223.0398:154.0377,CASMI_2016;UFZ_Additional_Specs
100.009.178,210-095-2,605-71-0,"1,5-dinitronaphthalene","1,5-dinitronaphthalene",[O-][N+](=O)c1cccc2c(cccc12)[N+](=O)[O-],[O-][N+](=O)c1cccc2c(cccc12)[N+](=O)[O-],InChI=1/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H,C10H6N2O4,,,,,,ZUTCJXFCHHDFJS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.183,210-100-8,605-94-7,"2,3-dimethoxy-5-methyl-p-benzoquinone","2,3-dimethoxy-5-methyl-1,4-benzoquinone",COC1=C(OC)C(=O)C(=CC1=O)C,COC1=C(OC)C(=O)C(=CC1=O)C,"InChI=1/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3",C9H10O4,,,,,,UIXPTCZPFCVOQF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.187,210-105-5,606-17-7,Adipiodone,"3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)",OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,"InChI=1/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)",C20H14I6N2O6,,,,,,FFINMCNLQNTKLU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.417,208-157-9,513-36-0,1-chloro-2-methylpropane,1-chloro-2-methylpropane,CC(C)CCl,CC(C)CCl,"InChI=1/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3",C4H9Cl,,,,,,QTBFPMKWQKYFLR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.418,208-158-4,513-37-1,1-chloro-2-methylpropene,1-chloro-2-methylprop-1-ene,CC(=CCl)C,CC(=CCl)C,"InChI=1/C4H7Cl/c1-4(2)3-5/h3H,1-2H3",C4H7Cl,,,,,,KWISWUFGPUHDRY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.424,208-165-2,513-53-1,Butane-2-thiol,butane-2-thiol,CCC(C)S,CCC(C)S,"InChI=1/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3",C4H10S,,,,,,LOCHFZBWPCLPAN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.427,208-168-9,513-78-0,Cadmium carbonate,cadmium carbonate,[Cd+2].[O-]C(=O)[O-],[Cd+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Cd/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Cd,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14135,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.427,GKDXQAKPHKQZSC-UHFFFAOYSA-L,,,,,,,,,,,
100.007.428,208-169-4,513-79-1,Cobalt carbonate,cobalt(2+) carbonate,[Co+2].[O-]C(=O)[O-],[Co+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Co/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Co,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14925,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.428,ZOTKGJBKKKVBJZ-UHFFFAOYSA-L,,,,,,,,,,,
100.007.430,208-172-0,513-81-5,"2,3-dimethylbuta-1,3-diene","2,3-dimethylbuta-1,3-diene",CC(=C)C(=C)C,CC(=C)C(=C)C,"InChI=1/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3",C6H10,,,,,,SDJHPPZKZZWAKF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.435,208-177-8,513-96-2,"3,3,3-trichlorolactonitrile","3,3,3-trichloro-2-hydroxypropanenitrile",OC(C#N)C(Cl)(Cl)Cl,OC(C#N)C(Cl)(Cl)Cl,"InChI=1/C3H2Cl3NO/c4-3(5,6)2(8)1-7/h2,8H",C3H2Cl3NO,,,,,,UFVLRHXFRXZBHS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.437,208-179-9,514-21-6,"3ß,14,16ß-trihydroxy-5ß-card-20(22)-enolide 16-formate","16-(formyloxy)-3,14-dihydroxycard-20(22)-enolide",C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC=O)C5=CC(=O)OC5,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC=O)C5=CC(=O)OC5,"InChI=1/C24H34O6/c1-22-7-5-16(26)10-15(22)3-4-18-17(22)6-8-23(2)21(14-9-20(27)29-12-14)19(30-13-25)11-24(18,23)28/h9,13,15-19,21,26,28H,3-8,10-12H2,1-2H3",C24H34O6,,,,,,WPPUBSWJDJKYDK-QDLCSJEJSA-N,,,,,,,,,,,
100.007.438,208-180-4,514-36-3,Fludrocortisone 21-acetate,"9-fluoro-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3",C23H31FO6,,,,,,SYWHXTATXSMDSB-GSLJADNHSA-N,Positive/Negative,AU210101|AU210102|AU210103|AU210104|AU210105;EQ324001|EQ324002|EQ324003|EQ324004|EQ324005|EQ324006,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,423.2212:424.2255:425.2282|423.2211:424.2252:343.1921|423.2212:239.144:325.1818|181.1027:239.1443:161.0965|181.1026:143.086:197.1339;423.2178:325.1797:343.1909|423.2181:325.1799:343.1905|239.143:181.102:121.0649|143.0857:181.1018:105.07|105.07:91.0543:143.0857|91.0543:105.0699:128.0621,Athens_Univ;Eawag,EQ324051|EQ324052|EQ324053|EQ324054|EQ324055,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75,59.0138:101.0244:73.0295|59.0138:73.0294:101.0243|59.0138:123.0816:73.0294|59.0138:123.0816:73.0294|59.0138:123.0816:73.0294,Eawag
100.007.440,208-183-0,514-61-4,17-ß-hydroxy-17-a-methyloestr-4-en-3-one,17-hydroxy-17-methylestr-4-en-3-one,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3",C19H28O2,,,,,,ZXSWTMLNIIZPET-ZOFHRBRSSA-N,,,,,,,,,,,
100.027.984,230-783-6,7318-67-4,"(Z)-hexa-1,4-diene","hexa-1,4-diene",C\\C=C/CC=C,C\C=C/CC=C,"InChI=1/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3",C6H10,,,,,,PRBHEGAFLDMLAL-XQRVVYSFSA-N,,,,,,,,,,,
100.027.990,230-789-9,7320-51-6,2-methyldibenzofuran,"2-methyldibenzo[b,d]furan",Cc1ccc2oc3ccccc3c2c1,Cc1ccc2oc3ccccc3c2c1,"InChI=1/C13H10O/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8H,1H3",C13H10O,,,,,,VTKMFJSESAHMLR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.991,230-790-4,7320-52-7,3-methyldibenzofuran,"3-methyldibenzo[b,d]furan",Cc1ccc2c(oc3ccccc23)c1,Cc1ccc2c(oc3ccccc23)c1,"InChI=1/C13H10O/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3",C13H10O,,,,,,JBFNQSFELCVNBC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.992,230-792-5,7320-53-8,4-methyldibenzofuran,"4-methyldibenzo[b,d]furan",Cc1cccc2c1oc3ccccc23,Cc1cccc2c1oc3ccccc23,"InChI=1/C13H10O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3",C13H10O,,,,,,XLTFRTTTZWMJJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.993,230-793-0,7320-60-7,"2-(ethylthio)-4,5-dihydro-1H-imidazole","2-(ethylsulfanyl)-4,5-dihydro-1H-imidazole",CCSC1=NCCN1,CCSC1=NCCN1,"InChI=1/C5H10N2S/c1-2-8-5-6-3-4-7-5/h2-4H2,1H3,(H,6,7)",C5H10N2S,,,,,,CSYAQCWITOMLMK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.995,230-795-1,7322-63-6,"cis-a,a,4-trimethylcyclohexanemethanol",2-(4-methylcyclohexyl)propan-2-ol,C[C@@H]1CC[C@@H](CC1)C(C)(C)O,C[C@@H]1CC[C@@H](CC1)C(C)(C)O,"InChI=1/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,UODXCYZDMHPIJE-DTORHVGOSA-N,,,,,,,,,,,
100.029.132,232-045-9,4/03/7784,Mercury disilver tetraiodide,mercury disilver tetraiodide,[Ag+].[Ag+].[I-].[I-].[I-].[I-].[Hg+2],[Ag+].[Ag+].[I-].[I-].[I-].[I-].[Hg+2],InChI=1/2Ag.Hg.4HI/h;;;4*1H/q2*+1;+2;;;;/p-4,Ag.1/2HgI4,,,,,,YNTJRFXPYRRRKS-UHFFFAOYSA-J,,,,,,,,,,,
100.023.950,226-345-9,3/04/5360,"(1,1,3,3-tetramethyl-1,3-disiloxanediyl)dimethyl diacetate","(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis(methylene) diacetate",CC(=O)OC[Si](C)(C)O[Si](C)(C)COC(=O)C,CC(=O)OC[Si](C)(C)O[Si](C)(C)COC(=O)C,"InChI=1/C10H22O5Si2/c1-9(11)13-7-16(3,4)15-17(5,6)8-14-10(2)12/h7-8H2,1-6H3",C10H22O5Si2,,,,,,WHUORYNHNAJAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.952,226-348-5,5362-56-1,4-methylpent-2-enal,4-methylpent-2-enal,CC(C)C=CC=O,CC(C)C=CC=O,"InChI=1/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3",C6H10O,,,,,,RIWPMNBTULNXOH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.957,226-353-2,5366-49-4,(p-tolylsulphonyl)acetone,1-[(4-methylphenyl)sulfonyl]acetone,CC(=O)CS(=O)(=O)c1ccc(C)cc1,CC(=O)CS(=O)(=O)c1ccc(C)cc1,"InChI=1/C10H12O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6H,7H2,1-2H3",C10H12O3S,,,,,,NDQXJNHOGLQSMB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.962,226-359-5,5368-81-0,Methyl m-anisate,methyl 3-methoxybenzoate,COC(=O)c1cccc(OC)c1,COC(=O)c1cccc(OC)c1,"InChI=1/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3",C9H10O3,,,,,,DUKYPQBGYRJVAN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.965,226-362-1,4/01/5370,"1-methyl-2-(2,6-xylyloxy)ethylammonium chloride","1-(2,6-dimethylphenoxy)propan-2-aminium chloride",[Cl-].[NH3+]C(C)COc1c(C)cccc1C,[Cl-].[NH3+]C(C)COc1c(C)cccc1C,"InChI=1/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H",C11H17NO.ClH,,,,,,NFEIBWMZVIVJLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.968,226-365-8,5/11/5373,"2-(3,4-dihydroxyphenyl)-7-(ß-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2",C21H20O11,,,,,,PEFNSGRTCBGNAN-QNDFHXLGSA-N,,,,,,,,,,,
100.023.969,226-366-3,1/06/5374,"4,6-di-tert-butylresorcinol","4,6-di-tert-butylbenzene-1,3-diol",CC(C)(C)c1cc(c(O)cc1O)C(C)(C)C,CC(C)(C)c1cc(c(O)cc1O)C(C)(C)C,"InChI=1/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3",C14H22O2,,,,,,KJFMXIXXYWHFAN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.970,226-367-9,5375-87-1,"1,4-dihydro-2H,5H-pyrano[3,4-c][1]benzopyran-5-one","1,4-dihydro-2H,5H-pyrano[3,4-c]chromen-5-one",O=C1Oc2ccccc2C3=C1COCC3,O=C1Oc2ccccc2C3=C1COCC3,"InChI=1/C12H10O3/c13-12-10-7-14-6-5-8(10)9-3-1-2-4-11(9)15-12/h1-4H,5-7H2",C12H10O3,,,,,,WSECHJISCFFJEN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.977,226-375-2,5382-23-0,4-chloro-1-methylpiperidinium chloride,4-chloro-1-methylpiperidinium chloride,[Cl-].C[NH+]1CCC(Cl)CC1,[Cl-].C[NH+]1CCC(Cl)CC1,"InChI=1/C6H12ClN.ClH/c1-8-4-2-6(7)3-5-8;/h6H,2-5H2,1H3;1H",C6H12ClN.ClH,,,,,,QDOJNWFOCOWAPO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.979,226-377-3,5382-89-8,[[(1-methylethylidene)amino]oxy]acetic acid,[(isopropylideneamino)oxy]acetic acid,CC(=NOCC(=O)O)C,CC(=NOCC(=O)O)C,"InChI=1/C5H9NO3/c1-4(2)6-9-3-5(7)8/h3H2,1-2H3,(H,7,8)",C5H9NO3,,,,,,JZHMMFMMAKFDRT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.984,226-383-6,5/04/5390,Pent-4-yn-1-ol,pent-4-yn-1-ol,OCCCC#C,OCCCC#C,"InChI=1/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2",C5H8O,,,,,,CRWVOXFUXPYTRK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.127,210-039-7,603-41-8,"p,p'-(2-pyridylmethylene)bisphenol","4,4'-(pyridin-2-ylmethylene)diphenol",Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccn3,Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccn3,"InChI=1/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H",C18H15NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11534,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.127,LJROKJGQSPMTKB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.128,210-040-2,603-44-1,"4,4',4''-methylidynetrisphenol","4,4',4''-methanetriyltriphenol",Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccc(O)cc3,Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccc(O)cc3,"InChI=1/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H",C19H16O3,,,,,,WFCQTAXSWSWIHS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.130,210-042-3,603-47-4,"4-[[4-(dimethylamino)phenyl][4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N-dimethylaniline monohydrochloride","4,4'-{[4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methylene}bis(N,N-dimethylaniline) hydrochloride",Cl.CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1,Cl.CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1,"InChI=1/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H",C24H27N3.ClH,,,,,,JFTBTTPUYRGXDG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.368,208-103-4,509-74-0,Acetylmethadol,"4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate",CCC(OC(=O)C)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,CCC(OC(=O)C)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,"InChI=1/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3",C23H31NO2,,,,,,XBMIVRRWGCYBTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.369,208-105-5,509-77-3,"3,3-bis(4-aminophenyl)phthalide","3,3-bis(4-aminophenyl)-2-benzofuran-1(3H)-one",Nc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(N)cc4,Nc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(N)cc4,"InChI=1/C20H16N2O2/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12H,21-22H2",C20H16N2O2,,,,,,PLYHMRQAXIKUIV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.371,208-107-6,509-86-4,Heptabarb,"5-cyclohept-1-en-1-yl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2,CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2,"InChI=1/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)",C13H18N2O3,,,,,,PAZQYDJGLKSCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.372,208-108-1,510-07-6,"ß-methyl-a,a-diphenylpiperidine-1-ethanol","1,1-diphenyl-2-piperidin-1-ylpropan-1-ol",CC(N1CCCCC1)C(O)(c2ccccc2)c3ccccc3,CC(N1CCCCC1)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C20H25NO/c1-17(21-15-9-4-10-16-21)20(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,22H,4,9-10,15-16H2,1H3",C20H25NO,,,,,,ZOCMPVMKPVJTEP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.378,208-114-4,510-53-2,Racemethorphan,3-methoxy-17-methylmorphinan,COc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C)c2c1,COc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C)c2c1,"InChI=1/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3",C18H25NO,,,,,,MKXZASYAUGDDCJ-HSFDIDPMSA-N,,,,,,,,,,,
100.007.382,208-119-1,511-07-9,"(8a)-5'a-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione","5'-benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman",CC(C)[C@@]1(NC(=O)[C@@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O,CC(C)[C@@]1(NC(=O)[C@@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O,"InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)",C35H39N5O5,,,,,,HEFIYUQVAZFDEE-NASJTFDLSA-N,,,,,,,,,,,
100.007.386,208-123-3,511-12-6,Dihydroergotamine,"5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman",CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O,CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O,"InChI=1/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)",C33H37N5O5,,,,,,LUZRJRNZXALNLM-JGRZULCMSA-N,,,,,,,,,,,
100.007.388,208-125-4,511-18-2,24-nor-5ß-cholan-23-oic acid,"3-(10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid (non-preferred name)",C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H38O2/c1-15(14-21(24)25)18-9-10-19-17-8-7-16-6-4-5-12-22(16,2)20(17)11-13-23(18,19)3/h15-20H,4-14H2,1-3H3,(H,24,25)",C23H38O2,,,,,,UNDDRXNWYMVMIX-RDIILWCNSA-N,,,,,,,,,,,
100.007.398,208-136-4,512-15-2,Cyclopentolate,2-(dimethylamino)ethyl (1-hydroxycyclopentyl)(phenyl)acetate,CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,"InChI=1/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3",C17H25NO3,,,,,,SKYSRIRYMSLOIN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.815,208-595-0,534-25-8,"1,2-dithiole-3-thione","3H-1,2-dithiole-3-thione",S=C1SSC=C1,S=C1SSC=C1,InChI=1/C3H2S3/c4-3-1-2-5-6-3/h1-2H,C3H2S3,,,,,,LZENMJMJWQSSNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.820,208-600-6,534-46-3,2-O-ß-D-glucopyranosyl-D-glucose,2-O-beta-D-glucopyranosyl-D-glucose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O,"InChI=1/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2",C12H22O11,,,,,,PZDOWFGHCNHPQD-VNNZMYODSA-N,,,,,,,,,,,
100.007.821,208-601-1,534-52-1,"2-methyl-4,6-dinitro-phenol","2-methyl-4,6-dinitrophenol",Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3",C7H6N2O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10481,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.821,ZXVONLUNISGICL-UHFFFAOYSA-N,Negative,,,,,,EQ312051|EQ312052|EQ312053|EQ312054|EQ312055|EQ312056,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,197.0206:167.0224:137.0244|197.0206:137.0244:167.0224|197.0204:137.0244:180.0177|180.0177:137.0244:197.0204|109.0296:140.0354:180.0177|140.0354:109.0296:123.0327,Eawag
100.007.826,208-606-9,534-85-0,N-phenyl-o-phenylenediamine,"N-phenylbenzene-1,2-diamine",Nc1ccccc1Nc2ccccc2,Nc1ccccc1Nc2ccccc2,"InChI=1/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2",C12H12N2,,,,,,NFCPRRWCTNLGSN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.831,208-612-1,535-32-0,D-2-amino-4-(ethylthio)butyric acid,S-ethylhomocysteine,CCSCCC(N)C(=O)O,CCSCCC(N)C(=O)O,"InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",C6H13NO2S,,,,,,GGLZPLKKBSSKCX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.837,208-618-4,535-80-8,3-chlorobenzoic acid,3-chlorobenzoic acid,OC(=O)c1cccc(Cl)c1,OC(=O)c1cccc(Cl)c1,"InChI=1/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",C7H5ClO2,,,,,,LULAYUGMBFYYEX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.839,208-621-0,535-87-5,"3,5-diaminobenzoic acid","3,5-diaminobenzoic acid",Nc1cc(N)cc(c1)C(=O)O,Nc1cc(N)cc(c1)C(=O)O,"InChI=1/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)",C7H8N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19028,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.839,UENRXLSRMCSUSN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.841,208-623-1,535-96-6,"(E)-3-(3,4-dihydroxyphenyl)-1-[4-(ß-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-2-propen-1-one","4-[3-(3,4-dihydroxyphenyl)acryloyl]-2,3-dihydroxyphenyl beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2ccc(C(=O)\\C=C\\c3ccc(O)c(O)c3)c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc(C(=O)\C=C\c3ccc(O)c(O)c3)c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2",C21H22O11,,,,,,XGEYXJDOVMEJNG-HTFDPZBKSA-N,,,,,,,,,,,
100.007.843,208-625-2,536-17-4,4-dimethylaminobenzylidenerhodanine,"5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazolidin-4-one",O=C2NC(=S)SC2=Cc1ccc(cc1)N(C)C,O=C2NC(=S)SC2=Cc1ccc(cc1)N(C)C,"InChI=1/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)",C12H12N2OS2,,,,,,JJRVRELEASDUMY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.844,208-626-8,536-21-0,Norfenefrine,3-(2-amino-1-hydroxyethyl)phenol,NCC(O)c1cccc(O)c1,NCC(O)c1cccc(O)c1,"InChI=1/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2",C8H11NO2,,,,,,LRCXRAABFLIVAI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.850,208-633-6,536-43-6,Dyclonine hydrochloride,1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride,Cl.CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2,Cl.CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2,"InChI=1/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H",C18H27NO2.ClH,,,,,,KNZADIMHVBBPOA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.852,208-635-7,536-46-9,"N,N-dimethylbenzene-1,4-diamine dihydrochloride","N,N-dimethylbenzene-1,4-diamine dihydrochloride",Cl.Cl.CN(C)c1ccc(N)cc1,Cl.Cl.CN(C)c1ccc(N)cc1,"InChI=1/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H",C8H12N2.2ClH,,,,,,IAEDWDXMFDKWFU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.777,209-653-8,589-59-3,Isobutyl isovalerate,isobutyl 3-methylbutanoate,CC(C)COC(=O)CC(C)C,CC(C)COC(=O)CC(C)C,"InChI=1/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,KEBDNKNVCHQIJU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.780,209-656-4,589-65-1,Mercury succinate,mercury succinate,[Hg+2].[O-]C(=O)CCC(=O)[O-],[Hg+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Hg/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Hg,,,,,,MBCFIGQQFXLXCB-UHFFFAOYSA-L,,,,,,,,,,,
100.008.782,209-659-0,589-75-3,Butyl octanoate,butyl octanoate,CCCCCCCC(=O)OCCCC,CCCCCCCC(=O)OCCCC,"InChI=1/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3",C12H24O2,,,,,,PSXNDMJWRZYVTM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.784,209-661-1,589-82-2,Heptan-3-ol,heptan-3-ol,CCCCC(O)CC,CCCCC(O)CC,"InChI=1/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3",C7H16O,,,,,,RZKSECIXORKHQS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.796,209-674-2,590-19-2,"Buta-1,2-diene","buta-1,2-diene",CC=C=C,CC=C=C,"InChI=1/C4H6/c1-3-4-2/h4H,1H2,2H3",C4H6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1919,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.796,QNRMTGGDHLBXQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.799,209-677-9,590-29-4,Potassium formate,potassium formate,[K+].[O-]C=O,[K+].[O-]C=O,"InChI=1/CH2O2.K/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",CH2O2.K,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15190,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.799,WFIZEGIEIOHZCP-UHFFFAOYSA-M,,,,,,,,,,,
100.007.441,208-184-6,514-65-8,Biperiden,1-bicyclo[2.2.1]hept-5-en-2-yl-1-phenyl-3-piperidin-1-ylpropan-1-ol,OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,"InChI=1/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2",C21H29NO,,,,,,YSXKPIUOCJLQIE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.443,208-186-7,514-73-8,Dithiazanine iodide,"3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4ccccc4sc3C=CC=CC=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4sc3C=CC=CC=C2Sc1ccccc1N2CC,"InChI=1/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2S2.I,,,,,,MNQDKWZEUULFPX-UHFFFAOYSA-M,,,,,,,,,,,
100.007.446,208-189-3,514-92-1,Torularhodin,"3',4'-didehydro-beta,psi-caroten-16'-oic acid",CC1(C)CCCC(\\C)=C1\\C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C(O)=O,CC1(C)CCCC(\C)=C1\C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C(O)=O,"InChI=1/C40H52O2/c1-31(19-12-21-33(3)22-13-23-34(4)25-15-26-37(7)39(41)42)17-10-11-18-32(2)20-14-24-35(5)28-29-38-36(6)27-16-30-40(38,8)9/h10-15,17-26,28-29H,16,27,30H2,1-9H3,(H,41,42)",C40H52O2,,,,,,NESPPCWGYRQEJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.448,208-191-4,514-99-8,"6,6-dimethylbicyclo[3.1.1]heptane-2-methanol","(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methanol",CC1(C)C2CCC(CO)C1C2,CC1(C)C2CCC(CO)C1C2,"InChI=1/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,LDWAIHWGMRVEFR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.449,208-193-5,515-00-4,(-)-pin-2-ene-10-ol,"(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol",CC1(C)C2CC=C(CO)C1C2,CC1(C)C2CC=C(CO)C1C2,"InChI=1/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3",C10H16O,,,,,,RXBQNMWIQKOSCS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.454,208-198-2,515-42-4,Sodium benzenesulphonate,sodium benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccccc1,[Na+].[O-]S(=O)(=O)c1ccccc1,"InChI=1/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1",C6H6O3S.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16461,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.454,MZSDGDXXBZSFTG-UHFFFAOYSA-M,,,,,,,,,,,
100.007.462,208-206-4,515-72-0,Barium di(benzenesulphonate),barium bisbenzenesulfonate,[Ba+2].[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,[Ba+2].[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,"InChI=1/2C6H6O3S.Ba/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2",C6H6O3S.1/2Ba,,,,,,ZKGZWXFMFNRPKQ-UHFFFAOYSA-L,,,,,,,,,,,
100.007.466,208-211-1,515-83-3,"2,2,2-trichloro-1-ethoxyethanol","2,2,2-trichloro-1-ethoxyethanol",CCOC(O)C(Cl)(Cl)Cl,CCOC(O)C(Cl)(Cl)Cl,"InChI=1/C4H7Cl3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3",C4H7Cl3O2,,,,,,DLHWKJDYXPNWAI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.467,208-212-7,515-84-4,Ethyl trichloroacetate,ethyl trichloroacetate,CCOC(=O)C(Cl)(Cl)Cl,CCOC(=O)C(Cl)(Cl)Cl,"InChI=1/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",C4H5Cl3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/9982,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.467,SJMLNDPIJZBEKY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.469,208-214-8,515-98-0,Ammonium lactate,ammonium 2-hydroxypropanoate,[NH4+].CC(O)C(=O)[O-],[NH4+].CC(O)C(=O)[O-],"InChI=1/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3",C3H6O3.H3N,,,,,,RZOBLYBZQXQGFY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.265,209-090-8,555-31-7,Aluminium triisopropanolate,aluminum tripropan-2-olate,[Al+3].CC(C)[O-].CC(C)[O-].CC(C)[O-],[Al+3].CC(C)[O-].CC(C)[O-].CC(C)[O-],"InChI=1/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",C3H8O.1/3Al,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12170,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.265,SMZOGRDCAXLAAR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.270,209-096-0,555-37-3,Neburon,"1-butyl-3-(3,4-dichlorophenyl)-1-methylurea",CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,"InChI=1/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)",C12H16Cl2N2O,,,,,,CCGPUGMWYLICGL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.273,209-099-7,555-45-3,Glycerol trimyristate,"propane-1,2,3-triyl tritetradecanoate",CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3",C45H86O6,,,,,,DUXYWXYOBMKGIN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.280,209-106-3,555-76-0,Iron triformate,iron(3+) triformate,[Fe+3].[O-]C=O.[O-]C=O.[O-]C=O,[Fe+3].[O-]C=O.[O-]C=O.[O-]C=O,"InChI=1/3CH2O2.Fe/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3",CH2O2.1/3Fe,,,,,,WHRBSMVATPCWLU-UHFFFAOYSA-K,,,,,,,,,,,
100.008.285,209-112-6,556-02-5,D-tyrosine,tyrosine,N[C@H](Cc1ccc(O)cc1)C(=O)O,N[C@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",C9H11NO3,,,,,,OUYCCCASQSFEME-MRVPVSSYSA-N,,,,,,,,,,,
100.008.288,209-115-2,556-18-3,4-aminobenzaldehyde,4-aminobenzaldehyde,Nc1ccc(C=O)cc1,Nc1ccc(C=O)cc1,"InChI=1/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2",C7H7NO,,,,,,VATYWCRQDJIRAI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.292,209-119-4,556-28-5,Diyttrium tricarbonate,diyttrium tricarbonate,[Y+3].[Y+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Y+3].[Y+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Y/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Y,,,,,,QVOIJBIQBYRBCF-UHFFFAOYSA-H,,,,,,,,,,,
100.023.985,226-384-1,5390-54-5,2-nitrobutyl acrylate,2-nitrobutyl acrylate,CCC(COC(=O)C=C)[N+](=O)[O-],CCC(COC(=O)C=C)[N+](=O)[O-],"InChI=1/C7H11NO4/c1-3-6(8(10)11)5-12-7(9)4-2/h4,6H,2-3,5H2,1H3",C7H11NO4,,,,,,KDDXAKYGDJGCLF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.992,226-392-5,1/12/5392,2-methoxy-1-naphthaldehyde,2-methoxy-1-naphthaldehyde,COc1ccc2ccccc2c1C=O,COc1ccc2ccccc2c1C=O,"InChI=1/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3",C12H10O2,,,,,,YIQGLTKAOHRZOL-UHFFFAOYSA-N,Positive,SM814501,[M+H]+,HCD35,187.0752:144.0568:157.0647,CASMI_2016,,,,,
100.023.993,226-393-0,5392-28-9,Pyrimidinetetrayltetraamine sulphate,"pyrimidine-2,4,5,6-tetramine sulfate",Nc1nc(N)c(N)c(N)n1.OS(=O)(=O)O,Nc1nc(N)c(N)c(N)n1.OS(=O)(=O)O,"InChI=1/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4)",C4H8N6.H2O4S,,,,,,MQEFDQWUCTUJCP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.622,230-384-7,7084-24-4,"2-(3,4-dihydroxyphenyl)-3-(ß-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium chloride","2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranoside chloride",[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O,[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H",C21H21O11.Cl,,,,,,KTSQCNPAUTWUSO-UBNZBFALSA-M,,,,,,,,,,,
100.027.623,230-385-2,7084-93-7,cis-4-isopropylcyclohexanecarboxylic acid,4-isopropylcyclohexanecarboxylic acid,CC(C)[C@@H]1CC[C@@H](CC1)C(=O)O,CC(C)[C@@H]1CC[C@@H](CC1)C(=O)O,"InChI=1/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)",C10H18O2,,,,,,YRQKWRUZZCBSIG-DTORHVGOSA-N,,,,,,,,,,,
100.027.624,230-386-8,7085-19-0,Mecoprop,2-(4-chloro-2-methylphenoxy)propanoic acid,CC(Oc1ccc(Cl)cc1C)C(=O)O,CC(Oc1ccc(Cl)cc1C)C(=O)O,"InChI=1/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",C10H11ClO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1684,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.624,WNTGYJSOUMFZEP-UHFFFAOYSA-N,Negative,,,,,,SM842051;EA030851|EA030852|EA030853|EA030854|EA030855|EA030856|EA030857|EA030858|EA030859|EA030860|EA030861|EA030862|EA030863|EA030864,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,141.0112:213.0324:169.0425;141.0115:71.0139:169.0429|141.0113:213.0325:71.0138|141.0114:213.0319:71.0138|141.0113:71.0137|141.0114:71.0139|141.0111:121.0293:105.0347|141.0111:121.0297:105.0346|141.0113:213.0324:71.0138|141.0113:71.0138:213.0325|141.0112:71.0137|141.0112:71.0136:121.0293|141.0113:121.0293:105.0345|141.0111:121.0298:105.0344|141.0114:71.0138:169.0423,CASMI_2016;Eawag
100.030.261,233-301-2,10109-05-4,"1,2,4-triazolyl-3-alanine","3-(1H-1,2,4-triazol-3-yl)alanine",NC(Cc1nc[nH]n1)C(=O)O,NC(Cc1nc[nH]n1)C(=O)O,"InChI=1/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)",C5H8N4O2,,,,,,CAPORZWUTKSILW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.265,233-305-4,10112-15-9,N-ethyl-2-nitroaniline,N-ethyl-2-nitroaniline,CCNc1ccccc1[N+](=O)[O-],CCNc1ccccc1[N+](=O)[O-],"InChI=1/C8H10N2O2/c1-2-9-7-5-3-4-6-8(7)10(11)12/h3-6,9H,2H2,1H3",C8H10N2O2,,,,,,CQIKVOWCSGXCCG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.268,233-309-6,10114-24-6,Trisodium 7-[[[[6-[(o-anisyl)azo]-5-hydroxy-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-4-hydroxy-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate,trisodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxybenzyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].COc7ccccc7CN=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc7ccccc7CN=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,"InChI=1/C39H30N6O13S3.3Na/c1-58-32-5-3-2-4-23(32)20-40-44-35-33(60(52,53)54)18-24-15-26(9-12-30(24)37(35)46)41-39(48)42-27-10-13-31-25(16-27)19-34(61(55,56)57)36(38(31)47)45-43-28-8-6-22-17-29(59(49,50)51)11-7-21(22)14-28;;;/h2-19,46-47H,20H2,1H3,(H2,41,42,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3",C38H28N6O13S3.3Na,,,,,,CNYSXZSGKHOFQU-UHFFFAOYSA-K,,,,,,,,,,,
100.030.272,233-313-8,10114-49-5,"1,5-bis[(3-methylphenyl)amino]anthraquinone","1,5-bis[(3-methylphenyl)amino]-9,10-anthraquinone",Cc1cccc(Nc2cccc3C(=O)c4c(Nc5cccc(C)c5)cccc4C(=O)c23)c1,Cc1cccc(Nc2cccc3C(=O)c4c(Nc5cccc(C)c5)cccc4C(=O)c23)c1,"InChI=1/C28H22N2O2/c1-17-7-3-9-19(15-17)29-23-13-5-11-21-25(23)27(31)22-12-6-14-24(26(22)28(21)32)30-20-10-4-8-18(2)16-20/h3-16,29-30H,1-2H3",C28H22N2O2,,,,,,CKBFYMOTEJMJTP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.277,233-319-0,10116-15-1,"5-(acetylamino)-4-hydroxy-3-[[2-methoxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid","5-acetamido-4-hydroxy-3-[(2-methoxy-5-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonic acid",COc3ccc(cc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,COc3ccc(cc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,"InChI=1/C21H21N3O15S4/c1-11(25)22-16-10-14(41(29,30)31)7-12-8-18(42(32,33)34)20(21(26)19(12)16)24-23-15-9-13(3-4-17(15)38-2)40(27,28)6-5-39-43(35,36)37/h3-4,7-10,26H,5-6H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37)",C21H21N3O15S4,,,,,,OHZBVTLENAKXOY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.281,233-323-2,10119-31-0,Zirconium chloride hydroxide,zirconium(2+) chloride hydroxide,[OH-].[Cl-].[Zr+2],[OH-].[Cl-].[Zr+2],InChI=1/ClH.H2O.Zr/h1H;1H2;/q;;+2/p-2,ClHOZr,,,,,,BLKLTTCUAPDQEG-UHFFFAOYSA-L,,,,,,,,,,,
100.030.282,233-324-8,10119-53-6,"Stearic acid, cerium salt",-,[Ce+3].CCCCCCCCCCCCCCCCCC(=O)[O-],[Ce+3].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Ce/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+3/p-1",C18H36O2.xCe,,,,,,RGQFASQYGVHAKU-UHFFFAOYSA-M,,,,,,,,,,,
100.007.402,208-141-1,512-26-5,Trilead dicitrate,trilead dicitrate,[Pb+2].[Pb+2].[Pb+2].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O,[Pb+2].[Pb+2].[Pb+2].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O,"InChI=1/2C6H8O7.3Pb.6H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;;/q;;3*+4;;;;;;/p-6/r2C6H8O7.3H2Pb/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H2/q;;3*+4/p-6",C6H8O7.3/2Pb,,,,,,HOQPTLCRWVZIQZ-UHFFFAOYSA-H,,,,,,,,,,,
100.007.405,208-144-8,512-56-1,Trimethyl phosphate,trimethyl phosphate,COP(=O)(OC)OC,COP(=O)(OC)OC,"InChI=1/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3",C3H9O4P,,,,,,WVLBCYQITXONBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.409,208-149-5,513-00-8,"N,N',N'',N'''-tetraisopropyldiphosphoramide","N,N',N'',N'''-tetraisopropyldiphosphoric tetraamide",CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C,CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C,"InChI=1/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)",C12H32N4O3P2,,,,,,IOIMDJXKIMCMIG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.410,208-150-0,513-02-0,Triisopropyl phosphate,triisopropyl phosphate,CC(C)OP(=O)(OC(C)C)OC(C)C,CC(C)OP(=O)(OC(C)C)OC(C)C,"InChI=1/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3",C9H21O4P,,,,,,OXFUXNFMHFCELM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.413,208-153-7,513-20-2,5-isopropylbicyclo[3.1.0]hexan-2-one,5-isopropylbicyclo[3.1.0]hexan-2-one,CC(C)C12CCC(=O)C1C2,CC(C)C12CCC(=O)C1C2,"InChI=1/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3",C9H14O,,,,,,MDDYCNAAAZKNAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.215,209-035-8,553-24-2,"N8,N8,3-trimethyl-2,8-phenazinediamine monohydrochloride","N~8~,N~8~,3-trimethylphenazine-2,8-diamine hydrochloride",Cl.CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1,Cl.CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1,"InChI=1/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H",C15H16N4.ClH,,,,,,PGSADBUBUOPOJS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.223,209-044-7,553-69-5,Fenyramidol,1-phenyl-2-(pyridin-2-ylamino)ethanol,OC(CNc1ccccn1)c2ccccc2,OC(CNc1ccccn1)c2ccccc2,"InChI=1/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)",C13H14N2O,,,,,,ZEAJXCPGHPJVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.226,209-047-3,553-72-0,Zinc dibenzoate,zinc dibenzoate,[Zn+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Zn+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Zn/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10053,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.226,JDLYKQWJXAQNNS-UHFFFAOYSA-L,,,,,,,,,,,
100.008.230,209-052-0,553-86-6,(3H)-benzofuran-2-one,1-benzofuran-2(3H)-one,O=C1Cc2ccccc2O1,O=C1Cc2ccccc2O1,"InChI=1/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2",C8H6O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2122,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.230,ACZGCWSMSTYWDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.233,209-055-7,553-94-6,2-bromo-p-xylene,"2-bromo-1,4-dimethylbenzene",Cc1ccc(C)c(Br)c1,Cc1ccc(C)c(Br)c1,"InChI=1/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3",C8H9Br,,,,,,QXISTPDUYKNPLU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.234,209-056-2,553-97-9,Methyl-p-benzoquinone,"2-methyl-1,4-benzoquinone",CC1=CC(=O)C=CC1=O,CC1=CC(=O)C=CC1=O,"InChI=1/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",C7H6O2,,,,,,VTWDKFNVVLAELH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.238,209-060-4,554-12-1,Methyl propionate,methyl propionate,CCC(=O)OC,CCC(=O)OC,"InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3",C4H8O2,,,,,,RJUFJBKOKNCXHH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.243,209-066-7,554-57-4,Methazolamide,"N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide",CN1/N=C(\\SC1=NC(=O)C)S(N)(=O)=O,CN1/N=C(\SC1=NC(=O)C)S(N)(=O)=O,"InChI=1/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)",C5H8N4O3S2,,,,,,FLOSMHQXBMRNHR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.258,209-082-4,555-15-7,5-nitro-2-furaldehyde oxime,5-nitro-2-furaldehyde oxime,O\\N=C\\c1oc(cc1)[N+](=O)[O-],O\N=C\c1oc(cc1)[N+](=O)[O-],"InChI=1/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H",C5H4N2O4,,,,,,PTBKFATYSVLSSD-ZZXKWVIFSA-N,,,,,,,,,,,
100.008.259,209-084-5,555-16-8,4-nitrobenzaldehyde,4-nitrobenzaldehyde,[O-][N+](=O)c1ccc(C=O)cc1,[O-][N+](=O)c1ccc(C=O)cc1,InChI=1/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,C7H5NO3,,,,,,BXRFQSNOROATLV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.261,209-086-6,555-24-8,Lithium phenoxide,lithium phenolate,[Li]Oc1ccccc1,[Li]Oc1ccccc1,"InChI=1/C6H6O.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1",C6H6O.Li,,,,,,XAVQZBGEXVFCJI-UHFFFAOYSA-M,,,,,,,,,,,
100.008.262,209-087-1,555-28-2,"2,2,6-trimethylpiperidin-4-yl benzoate hydrochloride","2,2,6-trimethylpiperidin-4-yl benzoate hydrochloride",Cl.CC1CC(CC(C)(C)N1)OC(=O)c2ccccc2,Cl.CC1CC(CC(C)(C)N1)OC(=O)c2ccccc2,"InChI=1/C15H21NO2.ClH/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12;/h4-8,11,13,16H,9-10H2,1-3H3;1H",C15H21NO2.ClH,,,,,,VGVCYHBQSIQXMO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.574,207-230-2,454-92-2,"a,a,a-trifluoro-m-toluic acid",3-(trifluoromethyl)benzoic acid,OC(=O)c1cccc(c1)C(F)(F)F,OC(=O)c1cccc(c1)C(F)(F)F,"InChI=1/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)",C8H5F3O2,,,,,,FQXQBFUUVCDIRK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.577,207-233-9,455-01-6,3-(trifluoromethyl)phenethylic alcohol,2-[3-(trifluoromethyl)phenyl]ethanol,OCCc1cccc(c1)C(F)(F)F,OCCc1cccc(c1)C(F)(F)F,"InChI=1/C9H9F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6,13H,4-5H2",C9H9F3O,,,,,,YDKIPCCKZKQMDT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.802,209-681-0,590-36-3,2-methylpentan-2-ol,2-methylpentan-2-ol,CCCC(C)(C)O,CCCC(C)(C)O,"InChI=1/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3",C6H14O,,,,,,WFRBDWRZVBPBDO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.804,209-683-1,590-46-5,Betaine hydrochloride,(trimethylammonio)acetate hydrochloride,Cl.C[N+](C)(C)CC(=O)[O-],Cl.C[N+](C)(C)CC(=O)[O-],"InChI=1/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H",C5H12NO2.Cl,,,,,,HOPSCVCBEOCPJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.808,209-687-3,590-66-9,"1,1-dimethylcyclohexane","1,1-dimethylcyclohexane",CC1(C)CCCCC1,CC1(C)CCCCC1,"InChI=1/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3",C8H16,,,,,,QEGNUYASOUJEHD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.811,209-691-5,590-86-3,Isovaleraldehyde,3-methylbutanal,CC(C)CC=O,CC(C)CC=O,"InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",C5H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13620,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.811,YGHRJJRRZDOVPD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.817,209-697-8,591-01-5,Bis(amidinourea) sulphate,1-carbamimidoylurea sulfate (2:1),NC(=N)NC(=O)N.NC(=N)NC(=O)N.OS(=O)(=O)O,NC(=N)NC(=O)N.NC(=N)NC(=O)N.OS(=O)(=O)O,"InChI=1/2C2H6N4O.H2O4S/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H2,1,2,3,4)",C2H6N4O.1/2H2O4S,,,,,,IATXFPUBPMZBPH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.822,209-702-3,591-17-3,3-bromotoluene,1-bromo-3-methylbenzene,Cc1cccc(Br)c1,Cc1cccc(Br)c1,"InChI=1/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",C7H7Br,,,,,,WJIFKOVZNJTSGO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.824,209-704-4,591-19-5,3-bromoaniline,3-bromoaniline,Nc1cccc(Br)c1,Nc1cccc(Br)c1,"InChI=1/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",C6H6BrN,,,,,,DHYHYLGCQVVLOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.826,209-707-0,591-21-9,"1,3-dimethylcyclohexane","1,3-dimethylcyclohexane",CC1CCCC(C)C1,CC1CCCC(C)C1,"InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3",C8H16,,,,,,SGVUHPSBDNVHKL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.827,209-708-6,591-22-0,"3,5-dimethylpyridine","3,5-dimethylpyridine",Cc1cncc(C)c1,Cc1cncc(C)c1,"InChI=1/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3",C7H9N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10608,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.827,HWWYDZCSSYKIAD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.828,209-709-1,591-23-1,"3-methylcyclohexanol, mixed isomers",3-methylcyclohexanol,CC1CCCC(O)C1,CC1CCCC(O)C1,"InChI=1/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3",C7H14O,,,,,,HTSABYAWKQAHBT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.153,207-867-6,498-67-9,(dichlorofluoromethyl)benzene,[dichloro(fluoro)methyl]benzene,FC(Cl)(Cl)c1ccccc1,FC(Cl)(Cl)c1ccccc1,"InChI=1/C7H5Cl2F/c8-7(9,10)6-4-2-1-3-5-6/h1-5H",C7H5Cl2F,,,,,,OMEURKZGLJYCGS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.154,207-868-1,498-71-5,"5-hydroxy-a,a,4-trimethylcyclohex-3-ene-1-methanol",5-(1-hydroxy-1-methylethyl)-2-methylcyclohex-2-en-1-ol,CC1=CCC(CC1O)C(C)(C)O,CC1=CCC(CC1O)C(C)(C)O,"InChI=1/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3",C10H18O2,,,,,,OMDMTHRBGUBUCO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.155,207-869-7,498-73-7,Mercurobutol,(5-tert-butyl-2-hydroxyphenyl)(chloro)mercury,CC(C)(C)c1ccc(O)c([Hg]Cl)c1,CC(C)(C)c1ccc(O)c([Hg]Cl)c1,"InChI=1/C10H13O.ClH.Hg/c1-10(2,3)8-4-6-9(11)7-5-8;;/h4-6,11H,1-3H3;1H;/q;;+1/p-1/rC10H13ClHgO/c1-10(2,3)7-4-5-9(13)8(6-7)12-11/h4-6,13H,1-3H3",C10H13ClHgO,,,,,,KDLVWLVVXAFNHZ-UHFFFAOYSA-M,,,,,,,,,,,
100.007.156,207-870-2,498-74-8,3-amino-4-methoxyphenylsulphonyl fluoride,3-amino-4-methoxybenzenesulfonyl fluoride,COc1ccc(cc1N)S(=O)(=O)F,COc1ccc(cc1N)S(=O)(=O)F,"InChI=1/C7H8FNO3S/c1-12-7-3-2-5(4-6(7)9)13(8,10)11/h2-4H,9H2,1H3",C7H8FNO3S,,,,,,SESLQGPHIQXYGF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.160,207-874-4,499-02-5,"trans-3-methylenecyclopropane-1,2-dicarboxylic acid","3-methylenecyclopropane-1,2-dicarboxylic acid",OC(=O)C1C(C(=O)O)C1=C,OC(=O)C1C(C(=O)O)C1=C,"InChI=1/C6H6O4/c1-2-3(5(7)8)4(2)6(9)10/h3-4H,1H2,(H,7,8)(H,9,10)",C6H6O4,,,,,,XZVHROKAQFFOCA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.161,207-876-5,499-06-9,"3,5-dimethylbenzoic acid","3,5-dimethylbenzoic acid",Cc1cc(C)cc(c1)C(=O)O,Cc1cc(C)cc(c1)C(=O)O,"InChI=1/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O2,,,,,,UMVOQQDNEYOJOK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.162,207-877-0,499-12-7,"Propene-1,2,3-tricarboxylic acid","prop-1-ene-1,2,3-tricarboxylic acid",O=C(O)C=C(CC(O)=O)C(O)=O,O=C(O)C=C(CC(O)=O)C(O)=O,"InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)",C6H6O6,,,,,,GTZCVFVGUGFEME-UHFFFAOYSA-N,,,,,,,,,,,
100.007.165,207-880-7,499-44-5,"2-hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one","2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one",CC(C)C1=CC=CC(=O)C(=C1)O,CC(C)C1=CC=CC(=O)C(=C1)O,"InChI=1/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)",C10H12O2,,,,,,FUWUEFKEXZQKKA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.168,207-883-3,499-61-6,"2-amino-1-(3,4-dihydroxyphenyl)ethan-1-one","2-amino-1-(3,4-dihydroxyphenyl)ethanone",NCC(=O)c1ccc(O)c(O)c1,NCC(=O)c1ccc(O)c(O)c1,"InChI=1/C8H9NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4,9H2",C8H9NO3,,,,,,CNFQARFTXUBHJY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.293,209-121-5,556-32-1,Magnesium succinate,magnesium succinate,[Mg+2].[O-]C(=O)CCC(=O)[O-],[Mg+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Mg/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Mg,,,,,,GFKXPVFCUXHGEB-UHFFFAOYSA-L,,,,,,,,,,,
100.008.294,209-122-0,556-33-2,N-(N-glycylglycyl)glycine,glycylglycylglycine,NCC(=O)NCC(=O)NCC(=O)O,NCC(=O)NCC(=O)NCC(=O)O,"InChI=1/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)",C6H11N3O4,,,,,,XKUKSGPZAADMRA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.295,209-123-6,556-37-6,Magnesium divalerate,magnesium dipentanoate,[Mg+2].CCCCC(=O)[O-].CCCCC(=O)[O-],[Mg+2].CCCCC(=O)[O-].CCCCC(=O)[O-],"InChI=1/2C5H10O2.Mg/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Mg,,,,,,PWDTYUOSZRLLEV-UHFFFAOYSA-L,,,,,,,,,,,
100.008.296,209-124-1,556-38-7,Zinc divalerate,zinc dipentanoate,[Zn+2].CCCCC(=O)[O-].CCCCC(=O)[O-],[Zn+2].CCCCC(=O)[O-].CCCCC(=O)[O-],"InChI=1/2C5H10O2.Zn/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Zn,,,,,,BUDAIZWUWHWZPQ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.297,209-125-7,556-45-6,Magnesium dibutyrate,magnesium dibutanoate,[Mg+2].CCCC(=O)[O-].CCCC(=O)[O-],[Mg+2].CCCC(=O)[O-].CCCC(=O)[O-],"InChI=1/2C4H8O2.Mg/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2",C4H8O2.1/2Mg,,,,,,XGIJWNPXLLJTTB-UHFFFAOYSA-L,,,,,,,,,,,
100.008.300,209-128-3,556-52-5,"2,3-epoxypropan-1-ol",oxiran-2-ylmethanol,OCC1CO1,OCC1CO1,"InChI=1/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2",C3H6O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11100,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.300,CTKINSOISVBQLD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.302,209-130-4,556-56-9,3-iodopropene,3-iodoprop-1-ene,ICC=C,ICC=C,"InChI=1/C3H5I/c1-2-3-4/h2H,1,3H2",C3H5I,,,,,,HFEHLDPGIKPNKL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.309,209-138-8,556-69-4,Octadecamethyloctasiloxane,octadecamethyloctasiloxane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C18H54O7Si8/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h1-18H3",C18H54O7Si8,,,,,,VWGDPBQTSZDFMX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.310,209-139-3,556-72-9,"2,3,4,5-tetrahydro-2,2,4,4,6-pentamethylpyrimidine","2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine",CC1=NC(C)(C)NC(C)(C)C1,CC1=NC(C)(C)NC(C)(C)C1,"InChI=1/C9H18N2/c1-7-6-8(2,3)11-9(4,5)10-7/h11H,6H2,1-5H3",C9H18N2,,,,,,PIFBMJMXJMZZRG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.311,209-140-9,556-76-3,Sodium pentyl sulphate,sodium pentyl sulfate,[Na+].CCCCCOS(=O)(=O)[O-],[Na+].CCCCCOS(=O)(=O)[O-],"InChI=1/C5H12O4S.Na/c1-2-3-4-5-9-10(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1",C5H12O4S.Na,,,,,,KLZYTGLGWPHIDV-UHFFFAOYSA-M,,,,,,,,,,,
100.008.314,209-144-0,556-89-8,Nitrourea,1-nitrourea,NC(=O)N[N+]([O-])=O,NC(=O)N[N+]([O-])=O,"InChI=1/CH3N3O3/c2-1(5)3-4(6)7/h(H3,2,3,5)",CH3N3O3,,,,,,CMUOJBJRZUHRMU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.318,209-148-2,557-00-6,Propyl isovalerate,propyl 3-methylbutanoate,CCCOC(=O)CC(C)C,CCCOC(=O)CC(C)C,"InChI=1/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3",C8H16O2,,,,,,LSJMDWFAADPNAX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.631,207-293-6,459-57-4,4-fluorobenzaldehyde,4-fluorobenzaldehyde,Fc1ccc(C=O)cc1,Fc1ccc(C=O)cc1,InChI=1/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H,C7H5FO,,,,,,UOQXIWFBQSVDPP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.638,207-300-2,460-00-4,1-bromo-4-fluorobenzene,1-bromo-4-fluorobenzene,Fc1ccc(Br)cc1,Fc1ccc(Br)cc1,InChI=1/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H,C6H4BrF,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18618,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.638,AITNMTXHTIIIBB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.641,207-303-9,460-12-8,"Buta-1,3-diyne","buta-1,3-diyne",C#CC#C,C#CC#C,InChI=1/C4H2/c1-3-4-2/h1-2H,C4H2,,,,,,LLCSWKVOHICRDD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.643,207-306-5,460-19-5,Oxalonitrile,oxalonitrile,N#CC#N,N#CC#N,InChI=1/C2N2/c3-1-2-4,C2N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12319,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.643,JMANVNJQNLATNU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.645,207-308-6,460-99-1,"2-chloro-1,1,2-trifluoro-1-(trichloromethoxy)ethane","2-chloro-1,1,2-trifluoro-1-(trichloromethoxy)ethane",FC(Cl)C(F)(F)OC(Cl)(Cl)Cl,FC(Cl)C(F)(F)OC(Cl)(Cl)Cl,"InChI=1/C3HCl4F3O/c4-1(8)2(9,10)11-3(5,6)7/h1H",C3HCl4F3O,,,,,,LSAUFTHJJZPNMH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.653,207-317-5,461-82-5,4-(trifluoromethoxy)aniline,4-(trifluoromethoxy)aniline,Nc1ccc(OC(F)(F)F)cc1,Nc1ccc(OC(F)(F)F)cc1,"InChI=1/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2",C7H6F3NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11758,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.653,XUJFOSLZQITUOI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.654,207-318-0,461-89-2,"1,2,4-triazine-3,5-diol","1,2,4-triazine-3,5-diol",Oc1cnnc(O)n1,Oc1cnnc(O)n1,"InChI=1/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)",C3H3N3O2,,,,,,SSPYSWLZOPCOLO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.655,207-319-6,461-92-7,"1,1,1-trifluoro-6-methylheptane-2,4-dione","1,1,1-trifluoro-6-methylheptane-2,4-dione",CC(C)CC(=O)CC(=O)C(F)(F)F,CC(C)CC(=O)CC(=O)C(F)(F)F,"InChI=1/C8H11F3O2/c1-5(2)3-6(12)4-7(13)8(9,10)11/h5H,3-4H2,1-2H3",C8H11F3O2,,,,,,XWBVTGFPQXBNOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.290,233-333-7,10124-41-1,Calcium thiosulphate,calcium thiosulfate,[Ca+2].[O-]S(=O)(=O)[S-],[Ca+2].[O-]S(=O)(=O)[S-],"InChI=1/Ca.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Ca.H2O3S2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11935,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.290,FAYYUXPSKDFLEC-UHFFFAOYSA-L,,,,,,,,,,,
100.030.292,233-335-8,10124-48-8,Aminomercury chloride,aminomercury(1+) chloride,[Cl-].N[Hg+],[Cl-].N[Hg+],InChI=1/ClH.Hg.H2N/h1H;;1H2/q;+2;-1/p-1/rClH.H2HgN/c;1-2/h1H;2H2/q;+1/p-1,ClH2HgN,,,,,,WRWRKDRWMURIBI-UHFFFAOYSA-M,,,,,,,,,,,
100.026.009,228-609-9,6304-31-0,2-butyl-4-methylpyridine,2-butyl-4-methylpyridine,CCCCc1cc(C)ccn1,CCCCc1cc(C)ccn1,"InChI=1/C10H15N/c1-3-4-5-10-8-9(2)6-7-11-10/h6-8H,3-5H2,1-2H3",C10H15N,,,,,,UCAKJZWZXQHUMY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.011,228-612-5,6304-39-8,Octanohydrazide,octanehydrazide,CCCCCCCC(=O)NN,CCCCCCCC(=O)NN,"InChI=1/C8H18N2O/c1-2-3-4-5-6-7-8(11)10-9/h2-7,9H2,1H3,(H,10,11)",C8H18N2O,,,,,,VMUZVGRNTPFTKE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.013,228-614-6,6305-38-0,Hydrobromide a-amino-<U+03B3>-butyrolactone,3-aminodihydrofuran-2(3H)-one,NC1CCOC1=O,NC1CCOC1=O,"InChI=1/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2",C4H7NO2.BrH,,,,,,QJPWUUJVYOJNMH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.016,228-617-2,6305-94-8,"1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one","8-thioxo-1,7,8,9-tetrahydro-6H-purin-6-one",O=C1NC=NC2=C1NC(=S)N2,O=C1NC=NC2=C1NC(=S)N2,"InChI=1/C5H4N4OS/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)",C5H4N4OS,,,,,,BGSBOXCITZLNQI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.018,228-619-3,6306-24-7,p-sulphamoylbenzamide,4-sulfamoylbenzamide,NC(=O)c1ccc(cc1)S(=O)(=O)N,NC(=O)c1ccc(cc1)S(=O)(=O)N,"InChI=1/C7H8N2O3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,8,10)(H2,9,11,12)",C7H8N2O3S,,,,,,MWFFIRCXGDGFQB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.021,228-623-5,6307-35-3,2-amino-5-bromo-6-methylpyrimidin-4(1H)-one,2-amino-5-bromo-6-methylpyrimidin-4(1H)-one,CC1=C(Br)C(=O)N=C(N)N1,CC1=C(Br)C(=O)N=C(N)N1,"InChI=1/C5H6BrN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)",C5H6BrN3O,,,,,,ADLWOFHKMXUDKF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.024,228-626-1,6309-51-9,Isopentyl laurate,3-methylbutyl laurate,CCCCCCCCCCCC(=O)OCCC(C)C,CCCCCCCCCCCC(=O)OCCC(C)C,"InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3",C17H34O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11149,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.024,FVKRIDSRWFEQME-UHFFFAOYSA-N,,,,,,,,,,,
100.026.025,228-627-7,6309-52-0,2-methoxyethyl laurate,2-methoxyethyl laurate,CCCCCCCCCCCC(=O)OCCOC,CCCCCCCCCCCC(=O)OCCOC,"InChI=1/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(16)18-14-13-17-2/h3-14H2,1-2H3",C15H30O3,,,,,,IPVODXIAEDUZIY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.028,228-630-3,4/09/6310,1-(5-chloro-2-thienyl)ethan-1-one,1-(5-chloro-2-thienyl)ethanone,CC(=O)c1ccc(Cl)s1,CC(=O)c1ccc(Cl)s1,"InChI=1/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3",C6H5ClOS,,,,,,HTZGPEHWQCRXGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.029,228-631-9,7/10/6310,4-nitrobenzaldehyde hydrazone,(4-nitrobenzylidene)hydrazine,N\\N=C\\c1ccc(cc1)[N+](=O)[O-],N\N=C\c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,8H2",C7H7N3O2,,,,,,XSMGFCXFKFLEMI-WEVVVXLNSA-N,,,,,,,,,,,
100.026.034,228-637-1,6312-72-7,"2,6-diamino-5-bromo-1H-pyrimidin-4-one","2,6-diamino-5-bromopyrimidin-4(1H)-one",NC1=NC(=O)C(=C(N)N1)Br,NC1=NC(=O)C(=C(N)N1)Br,"InChI=1/C4H5BrN4O/c5-1-2(6)8-4(7)9-3(1)10/h(H5,6,7,8,9,10)",C4H5BrN4O,,,,,,NLKHCTSHGBTJTH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.046,228-650-2,6316-24-1,"2-decyl-1,3-dioxolane","2-decyl-1,3-dioxolane",CCCCCCCCCCC1OCCO1,CCCCCCCCCCC1OCCO1,"InChI=1/C13H26O2/c1-2-3-4-5-6-7-8-9-10-13-14-11-12-15-13/h13H,2-12H2,1H3",C13H26O2,,,,,,RPCJRSNYOKTFOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.047,228-651-8,6316-54-7,Benzyl p-anisate,benzyl 4-methoxybenzoate,COc1ccc(cc1)C(=O)OCc2ccccc2,COc1ccc(cc1)C(=O)OCc2ccccc2,"InChI=1/C15H14O3/c1-17-14-9-7-13(8-10-14)15(16)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3",C15H14O3,,,,,,SWWYHGZVYNAAHI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.051,228-656-5,6317-41-5,Dimethyl 2-amino-3-oxoadipate hydrochloride,dimethyl 2-amino-3-oxohexanedioate hydrochloride,Cl.COC(=O)CCC(=O)C(N)C(=O)OC,Cl.COC(=O)CCC(=O)C(N)C(=O)OC,"InChI=1/C8H13NO5.ClH/c1-13-6(11)4-3-5(10)7(9)8(12)14-2;/h7H,3-4,9H2,1-2H3;1H",C8H13NO5.ClH,,,,,,MXZFBTBZJFUTAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.057,228-662-8,6318-51-0,(4-chlorophenyl) 2-pyridyl ketone,(4-chlorophenyl)(pyridin-2-yl)methanone,Clc1ccc(cc1)C(=O)c2ccccn2,Clc1ccc(cc1)C(=O)c2ccccn2,InChI=1/C12H8ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8H,C12H8ClNO,,,,,,KHXSJSBQIWAIEG-UHFFFAOYSA-N,,,,,,,,,,,
100.029.134,232-048-5,9/08/7784,Trisilver arsenite,trisilver(1+) arsenite,[Ag+].[Ag+].[Ag+].[O-][As]([O-])[O-],[Ag+].[Ag+].[Ag+].[O-][As]([O-])[O-],InChI=1/3Ag.AsO3/c;;;2-1(3)4/q3*+1;-3,Ag.1/3AsH3O3,,,,,,FOEYLTKIJNXAIO-UHFFFAOYSA-N,,,,,,,,,,,
100.029.137,232-051-1,7784-18-1,Aluminium fluoride,aluminum trifluoride,[F-].[F-].[F-].[Al+3],[F-].[F-].[F-].[Al+3],InChI=1/Al.3FH/h;3*1H/q+3;;;/p-3,AlF3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15258,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.137,KLZUFWVZNOTSEM-UHFFFAOYSA-K,,,,,,,,,,,
100.006.579,207-236-5,455-14-1,"a,a,a-trifluoro-p-toluidine",4-(trifluoromethyl)aniline,Nc1ccc(cc1)C(F)(F)F,Nc1ccc(cc1)C(F)(F)F,"InChI=1/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2",C7H6F3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12129,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.579,ODGIMMLDVSWADK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.581,207-238-6,455-16-3,p-toluenesulphonyl fluoride,4-methylbenzenesulfonyl fluoride,Cc1ccc(cc1)S(=O)(=O)F,Cc1ccc(cc1)S(=O)(=O)F,"InChI=1/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3",C7H7FO2S,,,,,,IZZYABADQVQHLC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.583,207-240-7,455-19-6,p-(trifluoromethyl)benzaldehyde,4-(trifluoromethyl)benzaldehyde,FC(F)(F)c1ccc(C=O)cc1,FC(F)(F)c1ccc(C=O)cc1,"InChI=1/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H",C8H5F3O,,,,,,BEOBZEOPTQQELP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.589,207-247-5,455-37-8,m-fluorobenzamide,3-fluorobenzamide,NC(=O)c1cccc(F)c1,NC(=O)c1cccc(F)c1,"InChI=1/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)",C7H6FNO,,,,,,YPIGHNIIXYSPKF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.599,207-258-5,456-19-9,1-(dichloromethyl)-4-fluorobenzene,1-(dichloromethyl)-4-fluorobenzene,Fc1ccc(cc1)C(Cl)Cl,Fc1ccc(cc1)C(Cl)Cl,"InChI=1/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H",C7H5Cl2F,,,,,,MFIOEEWGBMJNGG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.601,207-260-6,456-24-6,2-fluoro-5-nitropyridine,2-fluoro-5-nitropyridine,[O-][N+](=O)c1ccc(F)nc1,[O-][N+](=O)c1ccc(F)nc1,InChI=1/C5H3FN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,C5H3FN2O2,,,,,,XOZAJNLUAODXSP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.606,207-265-3,456-47-3,3-fluorobenzylic alcohol,(3-fluorophenyl)methanol,OCc1cccc(F)c1,OCc1cccc(F)c1,"InChI=1/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2",C7H7FO,,,,,,QDHRSLFSDGCJFX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.609,207-269-5,456-55-3,(trifluoromethoxy)benzene,(trifluoromethoxy)benzene,FC(F)(F)Oc1ccccc1,FC(F)(F)Oc1ccccc1,"InChI=1/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H",C7H5F3O,,,,,,GQHWSLKNULCZGI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.625,207-286-8,459-22-3,4-fluorophenylacetonitrile,(4-fluorophenyl)acetonitrile,Fc1ccc(CC#N)cc1,Fc1ccc(CC#N)cc1,"InChI=1/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2",C8H6FN,,,,,,JHQBLYITVCBGTO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.141,210-054-9,603-71-4,2-nitromesitylene,"1,3,5-trimethyl-2-nitrobenzene",Cc1cc(C)c(c(C)c1)[N+](=O)[O-],Cc1cc(C)c(c(C)c1)[N+](=O)[O-],"InChI=1/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3",C9H11NO2,,,,,,SCEKDQTVGHRSNS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.142,210-055-4,603-72-5,"2H-naphth[1,8-cd]isothiazole 1,1-dioxide","2H-naphtho[1,8-cd]isothiazole 1,1-dioxide",O=S1(=O)Nc2cccc3cccc1c23,O=S1(=O)Nc2cccc3cccc1c23,"InChI=1/C10H7NO2S/c12-14(13)9-6-2-4-7-3-1-5-8(11-14)10(7)9/h1-6,11H",C10H7NO2S,,,,,,HOBYPSNNFBRLIX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.153,210-068-5,604-44-4,4-chloro-1-naphthol,4-chloro-1-naphthol,Oc1ccc(Cl)c2ccccc12,Oc1ccc(Cl)c2ccccc12,"InChI=1/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H",C10H7ClO,,,,,,LVSPDZAGCBEQAV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.158,210-073-2,604-68-2,a-D-glucose pentaacetate,"1,2,3,4,6-penta-O-acetyl-alpha-D-glucopyranose",O=C(C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,O=C(C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,"InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3",C16H22O11,,,,,,LPTITAGPBXDDGR-LJIZCISZSA-N,,,,,,,,,,,
100.009.165,210-081-6,605-02-7,1-phenylnaphthalene,1-phenylnaphthalene,c1ccc(cc1)c2cccc3ccccc23,c1ccc(cc1)c2cccc3ccccc23,InChI=1/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H,C16H12,,,,,,IYDMICQAKLQHLA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.167,210-083-7,605-23-2,"1-ß-D-arabinofuranosyl-5-methyl-(1H,3H)-pyrimidine-2,4-dione","5-methyl-1-pentofuranosylpyrimidine-2,4(1H,3H)-dione",CC1=CN(C2OC(CO)C(O)C2O)C(=O)NC1=O,CC1=CN(C2OC(CO)C(O)C2O)C(=O)NC1=O,"InChI=1/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)",C10H14N2O6,,,,,,DWRXFEITVBNRMK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.171,210-087-9,605-48-1,"9,10-dichloroanthracene","9,10-dichloroanthracene",Clc1c2ccccc2c(Cl)c3ccccc13,Clc1c2ccccc2c(Cl)c3ccccc13,InChI=1/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,C14H8Cl2,,,,,,FKDIWXZNKAZCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.173,210-090-5,605-54-9,Bis(2-ethoxyethyl) phthalate,bis(2-ethoxyethyl) phthalate,CCOCCOC(=O)c1ccccc1C(=O)OCCOCC,CCOCCOC(=O)c1ccccc1C(=O)OCCOCC,"InChI=1/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3",C16H22O6,,,,,,RMKYMNRQXYPJHL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.174,210-091-0,605-55-0,Phenanthren-2-ol,phenanthren-2-ol,Oc1ccc2c(ccc3ccccc23)c1,Oc1ccc2c(ccc3ccccc23)c1,"InChI=1/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15H",C14H10O,,,,,,YPWLZGITFNGGKW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.172,207-888-0,499-74-1,3-(isopropyl)-6-methylcyclohex-2-en-1-one,3-isopropyl-6-methylcyclohex-2-en-1-one,CC(C)C1=CC(=O)C(C)CC1,CC(C)C1=CC(=O)C(C)CC1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,RLYSXAZAJUMULG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.173,207-889-6,499-75-2,Carvacrol,5-isopropyl-2-methylphenol,CC(C)c1ccc(C)c(O)c1,CC(C)c1ccc(C)c(O)c1,"InChI=1/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",C10H14O,,,,,,RECUKUPTGUEGMW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.174,207-890-1,499-76-3,4-hydroxy-m-toluic acid,4-hydroxy-3-methylbenzoic acid,Cc1cc(ccc1O)C(=O)O,Cc1cc(ccc1O)C(=O)O,"InChI=1/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)",C8H8O3,,,,,,LTFHNKUKQYVHDX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.176,207-892-2,499-80-9,"Pyridine-2,4-dicarboxylic acid","pyridine-2,4-dicarboxylic acid",OC(=O)c1ccnc(c1)C(=O)O,OC(=O)c1ccnc(c1)C(=O)O,"InChI=1/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",C7H5NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10398,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.176,MJIVRKPEXXHNJT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.178,207-894-3,499-83-2,"Pyridine-2,6-dicarboxylic acid","pyridine-2,6-dicarboxylic acid",OC(=O)c1cccc(n1)C(=O)O,OC(=O)c1cccc(n1)C(=O)O,"InChI=1/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",C7H5NO4,,,,,,WJJMNDUMQPNECX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.180,207-896-4,500-00-5,p-menth-3-ene,1-isopropyl-4-methylcyclohexene,CC(C)C1=CCC(C)CC1,CC(C)C1=CCC(C)CC1,"InChI=1/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h6,8-9H,4-5,7H2,1-3H3",C10H18,,,,,,YYCPSEFQLGXPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.194,207-913-5,500-85-6,N-(4-hydroxyphenyl)-p-benzoquinone monoimine,"4-[(4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one",Oc1ccc(cc1)N=C2C=CC(=O)C=C2,Oc1ccc(cc1)N=C2C=CC(=O)C=C2,"InChI=1/C12H9NO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14H",C12H9NO2,,,,,,RSAZYXZUJROYKR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.196,207-915-6,500-92-5,Proguanil,N-(4-chlorophenyl)-N'-isopropylimidodicarbonimidic diamide,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,"InChI=1/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)",C11H16ClN5,,,,,,SSOLNOMRVKKSON-UHFFFAOYSA-N,,,,,,,,,,,
100.008.697,209-564-4,585-84-2,"(Z)-1-propene-1,2,3-tricarboxylic acid","prop-1-ene-1,2,3-tricarboxylic acid",OC(=O)C\\C(=C\\C(=O)O)\\C(=O)O,OC(=O)C\C(=C\C(=O)O)\C(=O)O,"InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)",C6H6O6,,,,,,GTZCVFVGUGFEME-IWQZZHSRSA-N,,,,,,,,,,,
100.008.698,209-566-5,585-86-4,4-O-ß-D-galactopyranosyl-D-glucitol,4-O-beta-D-galactopyranosyl-D-glucitol,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,"InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2",C12H24O11,,,,,,VQHSOMBJVWLPSR-JVCRWLNRSA-N,,,,,,,,,,,
100.008.704,209-572-8,586-35-6,Bromoterephthalic acid,4-(bromocarbonyl)benzoic acid,O=C(Br)c1ccc(cc1)C(O)=O,O=C(Br)c1ccc(cc1)C(O)=O,"InChI=1/C8H5BrO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,11,12)",C8H5BrO4,,,,,,WZADVYBKUABRSB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.708,209-577-5,586-61-8,4-bromocumene,1-bromo-4-isopropylbenzene,CC(C)c1ccc(Br)cc1,CC(C)c1ccc(Br)cc1,"InChI=1/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3",C9H11Br,,,,,,MOZHUOIQYVYEPN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.714,209-583-8,586-78-7,1-bromo-4-nitrobenzene,1-bromo-4-nitrobenzene,[O-][N+](=O)c1ccc(Br)cc1,[O-][N+](=O)c1ccc(Br)cc1,InChI=1/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,C6H4BrNO2,,,,,,ZDFBKZUDCQQKAC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.718,209-588-5,586-89-0,4-acetylbenzoic acid,4-acetylbenzoic acid,CC(=O)c1ccc(cc1)C(=O)O,CC(=O)c1ccc(cc1)C(=O)O,"InChI=1/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)",C9H8O3,,,,,,QBHDSQZASIBAAI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.723,209-593-2,587-01-9,2-chloro-1-(chloromethyl)ethyl carbamate,2-chloro-1-(chloromethyl)ethyl carbamate,NC(=O)OC(CCl)CCl,NC(=O)OC(CCl)CCl,"InChI=1/C4H7Cl2NO2/c5-1-3(2-6)9-4(7)8/h3H,1-2H2,(H2,7,8)",C4H7Cl2NO2,,,,,,JMNCUXPHXKHBPY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.727,209-597-4,587-23-5,Methenamine mandelate,hydroxy(phenyl)acetic acid - methanimine (1:1),OC(C(=O)O)c1ccccc1.C=N,OC(C(=O)O)c1ccccc1.C=N,"InChI=1/C8H8O3.CH3N/c9-7(8(10)11)6-4-2-1-3-5-6;1-2/h1-5,7,9H,(H,10,11);2H,1H2",C8H8O3.C6H12N4,,,,,,WJMQKCMAQAWIGF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.728,209-599-5,587-26-8,Dilanthanum tricarbonate,dilanthanum tricarbonate,[La+3].[La+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[La+3].[La+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2La/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3La,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14359,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.728,NZPIUJUFIFZSPW-UHFFFAOYSA-H,,,,,,,,,,,
100.008.729,209-600-9,587-48-4,3-acetamidobenzoic acid,3-acetamidobenzoic acid,CC(=O)Nc1cccc(c1)C(=O)O,CC(=O)Nc1cccc(c1)C(=O)O,"InChI=1/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)",C9H9NO3,,,,,,RGDPZMQZWZMONQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.734,209-606-1,587-85-9,Diphenylmercury,diphenylmercury,[Hg](c1ccccc1)c2ccccc2,[Hg](c1ccccc1)c2ccccc2,InChI=1/2C6H5.Hg/c2*1-2-4-6-5-3-1;/h2*1-5H;/rC12H10Hg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,C12H10Hg,,,,,,HWMTUNCVVYPZHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.658,207-322-2,462-08-8,3-pyridylamine,pyridin-3-amine,Nc1cccnc1,Nc1cccnc1,"InChI=1/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2",C5H6N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16757,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.658,CUYKNJBYIJFRCU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.660,207-324-3,462-18-0,Tridecan-7-one,tridecan-7-one,CCCCCCC(=O)CCCCCC,CCCCCCC(=O)CCCCCC,"InChI=1/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3",C13H26O,,,,,,ULIAPOFMBCCSPE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.664,207-329-0,462-94-2,Pentamethylenediamine,"pentane-1,5-diamine",NCCCCCN,NCCCCCN,InChI=1/C5H14N2/c6-4-2-1-3-5-7/h1-7H2,C5H14N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16098,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.664,VHRGRCVQAFMJIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.665,207-330-6,462-95-3,Diethoxymethane,"1,1'-[methylenebis(oxy)]diethane",CCOCOCC,CCOCOCC,"InChI=1/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3",C5H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11805,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.665,KLKFAASOGCDTDT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.668,207-333-2,463-11-6,1-fluorooctane,1-fluorooctane,CCCCCCCCF,CCCCCCCCF,"InChI=1/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",C8H17F,,,,,,DHIVLKMGKIZOHF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.675,207-341-6,463-71-8,Thiocarbonyl chloride,thiophosgene,ClC(=S)Cl,ClC(=S)Cl,InChI=1/CCl2S/c2-1(3)4,CCl2S,,,,,,ZWZVWGITAAIFPS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.678,207-344-2,463-88-7,Trimethyl(vinyl)ammonium hydroxide,"N,N,N-trimethylethenaminium hydroxide",[OH-].C[N+](C)(C)C=C,[OH-].C[N+](C)(C)C=C,"InChI=1/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1",C5H12N.HO,,,,,,NIPLIJLVGZCKMP-UHFFFAOYSA-M,,,,,,,,,,,
100.009.189,210-107-6,606-21-3,"2-chloro-1,3-dinitrobenzene","2-chloro-1,3-dinitrobenzene",[O-][N+](=O)c1cccc(c1Cl)[N+](=O)[O-],[O-][N+](=O)c1cccc(c1Cl)[N+](=O)[O-],InChI=1/C6H3ClN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,C6H3ClN2O4,,,,,,BPPMIQPXQVIZNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.195,210-113-9,606-31-5,"2,6-dinitrobenzaldehyde","2,6-dinitrobenzaldehyde",[O-][N+](=O)c1cccc(c1C=O)[N+](=O)[O-],[O-][N+](=O)c1cccc(c1C=O)[N+](=O)[O-],InChI=1/C7H4N2O5/c10-4-5-6(8(11)12)2-1-3-7(5)9(13)14/h1-4H,C7H4N2O5,,,,,,WHFZQNNDIJKLIO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.197,210-116-5,606-37-1,"1,3-dinitronaphthalene","1,3-dinitronaphthalene",[O-][N+](=O)c1cc(c2ccccc2c1)[N+](=O)[O-],[O-][N+](=O)c1cc(c2ccccc2c1)[N+](=O)[O-],InChI=1/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H,C10H6N2O4,,,,,,ULALSFRIGPMWRS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.202,210-121-2,606-57-5,1-nitro-2-naphthylamine,1-nitronaphthalen-2-amine,Nc1ccc2ccccc2c1[N+](=O)[O-],Nc1ccc2ccccc2c1[N+](=O)[O-],"InChI=1/C10H8N2O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12(13)14/h1-6H,11H2",C10H8N2O2,,,,,,JNWGFQCTJCIODS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.205,210-124-9,606-81-5,"2,4'-dinitro-1,1'-biphenyl","2,4'-dinitrobiphenyl",[O-][N+](=O)c1ccc(cc1)c2ccccc2[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)c2ccccc2[N+](=O)[O-],InChI=1/C12H8N2O4/c15-13(16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(17)18/h1-8H,C12H8N2O4,,,,,,IZNVUHOCXBQQHM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.206,210-125-4,606-83-7,"3,3-diphenylpropionic acid","3,3-diphenylpropanoic acid",OC(=O)CC(c1ccccc1)c2ccccc2,OC(=O)CC(c1ccccc1)c2ccccc2,"InChI=1/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)",C15H14O2,,,,,,BZQGAPWJKAYCHR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.208,210-128-0,606-90-6,Piprinhydrinate,"8-chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 4-(diphenylmethoxy)-1-methylpiperidine (1:1)",CN1CCC(CC1)OC(c2ccccc2)c3ccccc3.CN4C(=O)N(C)c5[nH]c(Cl)nc5C4=O,CN1CCC(CC1)OC(c2ccccc2)c3ccccc3.CN4C(=O)N(C)c5[nH]c(Cl)nc5C4=O,"InChI=1/C19H23NO.C7H7ClN4O2/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-11,18-19H,12-15H2,1H3;1-2H3,(H,9,10)",C19H23NO.C7H7ClN4O2,,,,,,JSNIFGPPGAINSG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.209,210-129-6,607-00-1,Diphenylformamide,"N,N-diphenylformamide",O=CN(c1ccccc1)c2ccccc2,O=CN(c1ccccc1)c2ccccc2,InChI=1/C13H11NO/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,C13H11NO,,,,,,DCNUQRBLZWSGAV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.210,210-130-1,607-12-5,"5-chloro[1,1'-biphenyl]-2-ol",5-chlorobiphenyl-2-ol,Oc1ccc(Cl)cc1c2ccccc2,Oc1ccc(Cl)cc1c2ccccc2,"InChI=1/C12H9ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H",C12H9ClO,,,,,,DSQWWSVOIGUHAE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.214,210-134-3,607-34-1,5-nitroquinoline,5-nitroquinoline,[O-][N+](=O)c1cccc2ncccc12,[O-][N+](=O)c1cccc2ncccc12,InChI=1/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H,C9H6N2O2,,,,,,NDDZXHOCOKCNBM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.219,210-140-6,607-67-0,2-methylquinolin-4-ol,2-methylquinolin-4-ol,Cc1cc(O)c2ccccc2n1,Cc1cc(O)c2ccccc2n1,"InChI=1/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)",C10H9NO,,,,,,NWINIEGDLHHNLH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.223,210-144-8,607-88-5,p-tolyl salicylate,4-methylphenyl salicylate,Cc1ccc(OC(=O)c2ccccc2O)cc1,Cc1ccc(OC(=O)c2ccccc2O)cc1,"InChI=1/C14H12O3/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3",C14H12O3,,,,,,AMYKXJAXRJCLCV-UHFFFAOYSA-N,,,,,,,,,,,
100.029.140,232-054-8,7784-23-8,Aluminium iodide,aluminum triiodide,[Al+3].[I-].[I-].[I-],[Al+3].[I-].[I-].[I-],InChI=1/Al.3HI/h;3*1H/q+3;;;/p-3,AlI3,,,,,,CECABOMBVQNBEC-UHFFFAOYSA-K,,,,,,,,,,,
100.029.141,232-055-3,7784-25-0,Aluminium ammonium bis(sulphate),aluminium ammonium bis(sulphate),[NH4+].[Al+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Al+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Al.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",Al.H3N.2H2O4S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13568,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.141,LCQXXBOSCBRNNT-UHFFFAOYSA-K,,,,,,,,,,,
100.029.145,232-060-0,7784-35-2,Trifluoroarsine,arsenous trifluoride,F[As](F)F,F[As](F)F,InChI=1/AsF3/c2-1(3)4,AsF3,,,,,,JCMGUODNZMETBM-UHFFFAOYSA-N,,,,,,,,,,,
100.029.157,232-073-1,7784-80-7,2-allyloxyethyl acrylate,2-(allyloxy)ethyl acrylate,C=CCOCCOC(=O)C=C,C=CCOCCOC(=O)C=C,"InChI=1/C8H12O3/c1-3-5-10-6-7-11-8(9)4-2/h3-4H,1-2,5-7H2",C8H12O3,,,,,,AKSBCQNPVMRHRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.158,232-074-7,7784-98-7,"1-(2,6,6-trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one","1-(2,6,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one",CC1(C)C\\C=C/C(C)C1C=CC(=O)CC,CC1(C)C\C=C/C(C)C1C=CC(=O)CC,"InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h6-9,11,13H,5,10H2,1-4H3",C14H22O,,,,,,ZQJCPDKTEXSWTH-UHFFFAOYSA-N,,,,,,,,,,,
100.029.174,232-092-5,7786-17-6,"2,2'-methylenebis(6-nonyl-p-cresol)","2,2'-methylenebis(4-methyl-6-nonylphenol)",CCCCCCCCCc1cc(C)cc(Cc2cc(C)cc(CCCCCCCCC)c2O)c1O,CCCCCCCCCc1cc(C)cc(Cc2cc(C)cc(CCCCCCCCC)c2O)c1O,"InChI=1/C33H52O2/c1-5-7-9-11-13-15-17-19-28-21-26(3)23-30(32(28)34)25-31-24-27(4)22-29(33(31)35)20-18-16-14-12-10-8-6-2/h21-24,34-35H,5-20,25H2,1-4H3",C33H52O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12437,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.174,XQESJWNDTICJHW-UHFFFAOYSA-N,,,,,,,,,,,
100.029.181,232-099-3,7786-48-3,Nonyl octanoate,nonyl octanoate,CCCCCCCCCOC(=O)CCCCCCC,CCCCCCCCCOC(=O)CCCCCCC,"InChI=1/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3",C17H34O2,,,,,,HSGQXSBXGSRINJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.626,228-188-1,6161-62-2,2-ethyl-m-cresol,2-ethyl-3-methylphenol,CCc1c(C)cccc1O,CCc1c(C)cccc1O,"InChI=1/C9H12O/c1-3-8-7(2)5-4-6-9(8)10/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,OCKYMBMCPOAFLL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.640,228-203-1,6165-75-9,Prop-2-ynyl benzenesulphonate,prop-2-yn-1-yl benzenesulfonate,O=S(=O)(OCC#C)c1ccccc1,O=S(=O)(OCC#C)c1ccccc1,"InChI=1/C9H8O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2",C9H8O3S,,,,,,RAGBYXLIHQFIPK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.653,228-217-8,6174-86-3,3-chloro-7-hydroxy-4-methyl-2-benzopyrone,3-chloro-7-hydroxy-4-methyl-2H-chromen-2-one,CC1=C(Cl)C(=O)Oc2cc(O)ccc12,CC1=C(Cl)C(=O)Oc2cc(O)ccc12,"InChI=1/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3",C10H7ClO3,,,,,,ODZHLDRQCZXQFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.654,228-218-3,6174-95-4,Tetraethyl ethylenetetracarboxylate,"tetraethyl ethene-1,1,2,2-tetracarboxylate",CCOC(=O)C(=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,CCOC(=O)C(=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,"InChI=1/C14H20O8/c1-5-19-11(15)9(12(16)20-6-2)10(13(17)21-7-3)14(18)22-8-4/h5-8H2,1-4H3",C14H20O8,,,,,,IYHFWCBVJOQIIT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.668,228-234-0,6190-36-9,Cotarnine phthalate,"phthalic acid - 4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ol (1:1)",COc1c2OCOc2cc3CCN(C)C(O)c13.OC(=O)c4ccccc4C(=O)O,COc1c2OCOc2cc3CCN(C)C(O)c13.OC(=O)c4ccccc4C(=O)O,"InChI=1/C12H15NO4.C8H6O4/c1-13-4-3-7-5-8-10(17-6-16-8)11(15-2)9(7)12(13)14;9-7(10)5-3-1-2-4-6(5)8(11)12/h5,12,14H,3-4,6H2,1-2H3;1-4H,(H,9,10)(H,11,12)",C32H32N2O10,,,,,,LJOMNEPMQLHJID-UHFFFAOYSA-N,,,,,,,,,,,
100.025.672,228-238-2,6191-71-5,(Z)-hept-4-en-1-ol,hept-4-en-1-ol,CC\\C=C/CCCO,CC\C=C/CCCO,"InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3",C7H14O,,,,,,CUKAXHVLXKIPKF-ARJAWSKDSA-N,,,,,,,,,,,
100.025.676,228-242-4,7/12/6192,Praseodymium(3+) acetate,praseodymium triacetate,[Pr+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Pr+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Pr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Pr,,,,,,KPXRPRLCONABEG-UHFFFAOYSA-K,,,,,,,,,,,
100.030.316,233-362-5,10129-44-9,1-allylpyridinium bromide,1-allylpyridinium bromide,[Br-].C=CC[n+]1ccccc1,[Br-].C=CC[n+]1ccccc1,"InChI=1/C8H10N.BrH/c1-2-6-9-7-4-3-5-8-9;/h2-5,7-8H,1,6H2;1H/q+1;/p-1",C8H10N.Br,,,,,,KLCKMAMMLDRAQP-UHFFFAOYSA-M,,,,,,,,,,,
100.030.322,233-368-8,10131-46-1,6-benzyl-2-methylpyridine,2-benzyl-6-methylpyridine,Cc1cccc(Cc2ccccc2)n1,Cc1cccc(Cc2ccccc2)n1,"InChI=1/C13H13N/c1-11-6-5-9-13(14-11)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3",C13H13N,,,,,,BONXKYMGTPBECR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.331,233-378-2,10137-74-3,Calcium chlorate,calcium dichlorate,[Ca+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Ca+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/Ca.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",Ca.2ClHO3,,,,,,YALMXYPQBUJUME-UHFFFAOYSA-L,,,,,,,,,,,
100.030.333,233-380-3,10138-01-9,Europium trinitrate,-,[Eu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Eu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Eu.3NO3/c;3*2-1(3)4/q+2;3*-1,Eu.3HNO3,,,,,,SQRYJYWXAKOTCV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.182,210-099-4,605-91-4,1-ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)prop-1-enyl]quinolinium iodide,1-ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide,[I-].CC[n+]3c4ccccc4ccc3C=CC=C2\\C=C/c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=CC=C2\C=C/c1ccccc1N2CC,"InChI=1/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",C25H25N2.I,,,,,,QWYZFXLSWMXLDM-UHFFFAOYSA-M,,,,,,,,,,,
100.007.422,208-163-1,513-48-4,2-iodobutane,2-iodobutane,CCC(C)I,CCC(C)I,"InChI=1/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3",C4H9I,,,,,,IQRUSQUYPCHEKN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.434,208-176-2,513-92-8,Tetraiodoethylene,tetraiodoethene,IC(=C(I)I)I,IC(=C(I)I)I,InChI=1/C2I4/c3-1(4)2(5)6,C2I4,,,,,,ZGQURDGVBSSDNF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.442,208-185-1,514-68-1,Estriol succinate,"4,4'-{[3-hydroxyestra-1,3,5(10)-triene-16,17-diyl]bis(oxy)}bis(4-oxobutanoic acid)",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](OC(=O)CCC(=O)O)[C@@H]2OC(=O)CCC(=O)O,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](OC(=O)CCC(=O)O)[C@@H]2OC(=O)CCC(=O)O,"InChI=1/C26H32O9/c1-26-11-10-17-16-5-3-15(27)12-14(16)2-4-18(17)19(26)13-20(34-23(32)8-6-21(28)29)25(26)35-24(33)9-7-22(30)31/h3,5,12,17-20,25,27H,2,4,6-11,13H2,1H3,(H,28,29)(H,30,31)",C26H32O9,,,,,,VBRVDDFOBZNCPF-BRSFZVHSSA-N,,,,,,,,,,,
100.007.447,208-190-9,514-93-2,"3,6-dimethyl-7a-hydroxy-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one","7a-hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one",CC1CCC2=C(C)C(=O)OC2(O)C1,CC1CCC2=C(C)C(=O)OC2(O)C1,"InChI=1/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3",C10H14O3,,,,,,LBNWZGLSMCTAQB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.451,208-195-6,515-25-3,"(2S-trans)-2-carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium","4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate",C[N+]1(C)C[C@H](O)C[C@H]1C(=O)[O-],C[N+]1(C)C[C@H](O)C[C@H]1C(=O)[O-],"InChI=1/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3",C7H13NO3,,,,,,MUNWAHDYFVYIKH-RITPCOANSA-N,,,,,,,,,,,
100.007.452,208-196-1,515-30-0,2-phenyllactic acid,2-hydroxy-2-phenylpropanoic acid,CC(O)(C(=O)O)c1ccccc1,CC(O)(C(=O)O)c1ccccc1,"InChI=1/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)",C9H10O3,,,,,,NWCHELUCVWSRRS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.453,208-197-7,515-40-2,"(2-chloro-1,1-dimethylethyl)benzene","(2-chloro-1,1-dimethylethyl)benzene",CC(C)(CCl)c1ccccc1,CC(C)(CCl)c1ccccc1,"InChI=1/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",C10H13Cl,,,,,,DNXXUUPUQXSUFH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.458,208-202-2,515-57-1,Maleylsulfathiazole,"4-oxo-4-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino}but-2-enoic acid",OC(=O)C=CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,OC(=O)C=CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,"InChI=1/C13H11N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-8H,(H,14,16)(H,15,17)(H,18,19)",C13H11N3O5S2,,,,,,ALXRUJOUFGNSHT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.459,208-203-8,515-59-3,N'1-(4-methylthiazol-2-yl)sulphanilamide,"4-amino-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide",Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1,Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1,"InChI=1/C10H11N3O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",C10H11N3O2S2,,,,,,KJVQYDYPDFFJMP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.463,208-208-5,515-74-2,Sodium sulphanilate,sodium 4-aminobenzenesulfonate,[Na+].Nc1ccc(cc1)S(=O)(=O)[O-],[Na+].Nc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H7NO3S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1",C6H7NO3S.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5987,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.463,KSVSZLXDULFGDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.007.464,208-209-0,515-76-4,Difetarsone disodium,difetarsone disodium,[Na+].[Na+].O[As](=O)(O)c1ccc(NCCNc2ccc(cc2)[As](=O)(O)O)cc1,[Na+].[Na+].O[As](=O)(O)c1ccc(NCCNc2ccc(cc2)[As](=O)(O)O)cc1,"InChI=1/C14H18As2N2O6.2Na/c19-15(20,21)11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(4-8-14)16(22,23)24;;/h1-8,17-18H,9-10H2,(H2,19,20,21)(H2,22,23,24);;/q;2*+1",C14H18As2N2O6.2Na,,,,,,WJQJTJQDBFMBJM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.272,209-098-1,555-44-2,Glycerol tripalmitate,"propane-1,2,3-triyl trihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3",C51H98O6,,,,,,PVNIQBQSYATKKL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.276,209-102-1,555-59-9,4-oxo-4-(phenylamino)isocrotonic acid,4-anilino-4-oxobut-2-enoic acid,OC(=O)\\C=C/C(=O)Nc1ccccc1,OC(=O)\C=C/C(=O)Nc1ccccc1,"InChI=1/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)",C10H9NO3,,,,,,WHZLCOICKHIPRL-SREVYHEPSA-N,,,,,,,,,,,
100.008.279,209-105-8,555-75-9,Aluminium triethanolate,aluminum triethanolate,[Al+3].CC[O-].CC[O-].CC[O-],[Al+3].CC[O-].CC[O-].CC[O-],"InChI=1/3C2H5O.Al/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3",C2H6O.1/3Al,,,,,,JPUHCPXFQIXLMW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.281,209-107-9,555-89-5,Bis(4-chlorophenoxy)methane,"1,1'-[methylenebis(oxy)]bis(4-chlorobenzene)",Clc1ccc(OCOc2ccc(Cl)cc2)cc1,Clc1ccc(OCOc2ccc(Cl)cc2)cc1,"InChI=1/C13H10Cl2O2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9H2",C13H10Cl2O2,,,,,,COVKSLBAQCJQMS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.736,209-608-2,587-98-4,Sodium 3-(p-anilinophenylazo)benzenesulphonate,sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3,[Na+].[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3,"InChI=1/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1",C18H15N3O3S.Na,,,,,,NYGZLYXAPMMJTE-UHFFFAOYSA-M,,,,,,,,,,,
100.008.740,209-612-4,588-22-7,"(3,4-dichlorophenoxy)acetic acid","(3,4-dichlorophenoxy)acetic acid",OC(=O)COc1ccc(Cl)c(Cl)c1,OC(=O)COc1ccc(Cl)c(Cl)c1,"InChI=1/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6Cl2O3,,,,,,SNYRXHULAWEECU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.741,209-614-5,588-25-0,4-(3-fluoro-4-hydroxyphenyl)butyric acid,4-(3-fluoro-4-hydroxyphenyl)butanoic acid,OC(=O)CCCc1ccc(O)c(F)c1,OC(=O)CCCc1ccc(O)c(F)c1,"InChI=1/C10H11FO3/c11-8-6-7(4-5-9(8)12)2-1-3-10(13)14/h4-6,12H,1-3H2,(H,13,14)",C10H11FO3,,,,,,UKBRLKIGCWRGBH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.861,208-645-1,536-74-3,Phenylacetylene,ethynylbenzene,C#Cc1ccccc1,C#Cc1ccccc1,"InChI=1/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",C8H6,,,,,,UEXCJVNBTNXOEH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.870,208-655-6,537-01-9,Dicerium tricarbonate,dicerium tricarbonate,[Ce+3].[Ce+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Ce+3].[Ce+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Ce/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Ce,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14574,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.870,GHLITDDQOMIBFS-UHFFFAOYSA-H,,,,,,,,,,,
100.007.872,208-657-7,537-04-2,Cerium tribenzoate,cerium(3+) tribenzoate,[Ce+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,[Ce+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,"InChI=1/3C7H6O2.Ce/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3",C7H6O2.1/3Ce,,,,,,MVMMEGGCDPHSTO-UHFFFAOYSA-K,,,,,,,,,,,
100.007.873,208-658-2,537-09-7,4-[(4-methoxy-6-methylsalicyloyl)oxy]-6-methylsalicylic acid,2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoic acid,COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1,COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1,"InChI=1/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21)",C17H16O7,,,,,,GODLCSLPZIBRMG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.878,208-664-5,537-32-6,"Propane-1,2,3-triyl trilactate","propane-1,2,3-triyl tris(2-hydroxypropanoate)",CC(O)C(=O)OCC(COC(=O)C(C)O)OC(=O)C(C)O,CC(O)C(=O)OCC(COC(=O)C(C)O)OC(=O)C(C)O,"InChI=1/C12H20O9/c1-6(13)10(16)19-4-9(21-12(18)8(3)15)5-20-11(17)7(2)14/h6-9,13-15H,4-5H2,1-3H3",C12H20O9,,,,,,QFZKSWMAYXNSEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.887,208-673-4,537-65-5,"4,4'-iminodianiline","N-(4-aminophenyl)benzene-1,4-diamine",Nc1ccc(Nc2ccc(N)cc2)cc1,Nc1ccc(Nc2ccc(N)cc2)cc1,"InChI=1/C12H13N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H,13-14H2",C12H13N3,,,,,,QZHXKQKKEBXYRG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.888,208-675-5,537-67-7,Diphenylammonium chloride,N-phenylanilinium chloride,[Cl-].[NH2+](c1ccccc1)c2ccccc2,[Cl-].[NH2+](c1ccccc1)c2ccccc2,"InChI=1/C12H11N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H",C12H11N.ClH,,,,,,JEFJSEIUEJBMSR-UHFFFAOYSA-N,,,,,,,,,,,
100.007.890,208-677-6,537-91-7,Bis(3-nitrophenyl) disulphide,"1,1'-disulfanediylbis(3-nitrobenzene)",[O-][N+](=O)c1cccc(SSc2cccc(c2)[N+](=O)[O-])c1,[O-][N+](=O)c1cccc(SSc2cccc(c2)[N+](=O)[O-])c1,InChI=1/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H,C12H8N2O4S2,,,,,,ODOFDWDUSSFUMN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.899,208-687-0,538-24-9,Glycerol trilaurate,"propane-1,2,3-triyl tridodecanoate",CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3",C39H74O6,,,,,,VMPHSYLJUKZBJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.903,208-691-2,538-42-1,Sodium cinnamate,sodium 3-phenylacrylate,[Na+].[O-]C(=O)\\C=C\\c1ccccc1,[Na+].[O-]C(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.Na/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1",C9H8O2.Na,,,,,,DXIHILNWDOYYCH-UHDJGPCESA-M,,,,,,,,,,,
100.007.910,208-699-6,538-65-8,Butyl cinnamate,butyl 3-phenylacrylate,CCCCOC(=O)\\C=C\\c1ccccc1,CCCCOC(=O)\C=C\c1ccccc1,"InChI=1/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3",C13H16O2,,,,,,OHHIVLJVBNCSHV-MDZDMXLPSA-N,,,,,,,,,,,
100.007.911,208-701-5,538-68-1,Pentylbenzene,pentylbenzene,CCCCCc1ccccc1,CCCCCc1ccccc1,"InChI=1/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3",C11H16,,,,,,PWATWSYOIIXYMA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.912,208-702-0,538-71-6,Domiphen bromide,"N,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1,[Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1,"InChI=1/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1",C22H40NO.Br,,,,,,OJIYIVCMRYCWSE-UHFFFAOYSA-M,,,,,,,,,,,
100.009.226,210-147-4,607-93-2,"N-(2,4,6-tribromophenyl)acetamide","N-(2,4,6-tribromophenyl)acetamide",CC(=O)Nc1c(Br)cc(Br)cc1Br,CC(=O)Nc1c(Br)cc(Br)cc1Br,"InChI=1/C8H6Br3NO/c1-4(13)12-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3,(H,12,13)",C8H6Br3NO,,,,,,FQSQCZNNIXYDIH-UHFFFAOYSA-N,,,,,,,,,,,
100.009.229,210-151-6,607-97-6,Ethyl 2-ethylacetoacetate,ethyl 2-ethyl-3-oxobutanoate,CCOC(=O)C(CC)C(=O)C,CCOC(=O)C(CC)C(=O)C,"InChI=1/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3",C8H14O3,,,,,,OKANYBNORCUPKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.239,210-162-6,608-37-7,"2,3-dibromomaleic acid","2,3-dibromobut-2-enedioic acid",OC(=O)\\C(=C(\\Br)/C(=O)O)\\Br,OC(=O)\C(=C(\Br)/C(=O)O)\Br,"InChI=1/C4H2Br2O4/c5-1(3(7)8)2(6)4(9)10/h(H,7,8)(H,9,10)",C4H2Br2O4,,,,,,PMNMPRXRQYSFRP-UPHRSURJSA-N,,,,,,,,,,,
100.009.240,210-163-1,608-40-2,"(R*,S*)-2,3-dimethylsuccinic acid","2,3-dimethylsuccinic acid",CC(C(C)C(=O)O)C(=O)O,CC(C(C)C(=O)O)C(=O)O,"InChI=1/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)",C6H10O4,,,,,,KLZYRCVPDWTZLH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.488,208-235-2,517-23-7,a-acetyl-<U+03B3>-butyrolactone,3-acetyldihydrofuran-2(3H)-one,CC(=O)C1CCOC1=O,CC(=O)C1CCOC1=O,"InChI=1/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3",C6H8O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1149,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.488,OMQHDIHZSDEIFH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.489,208-236-8,517-25-9,Trinitromethane,trinitromethane,[O-][N+](=O)C([N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C([N+](=O)[O-])[N+](=O)[O-],InChI=1/CHN3O6/c5-2(6)1(3(7)8)4(9)10/h1H,CHN3O6,,,,,,LZGVDNRJCGPNDS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.492,208-239-4,517-44-2,"(R*,S*)-9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid","4,4',5,5'-tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid",OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(C4c5cccc(O)c5C(=O)c6c(O)cc(cc46)C(=O)O)c2c1,OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(C4c5cccc(O)c5C(=O)c6c(O)cc(cc46)C(=O)O)c2c1,"InChI=1/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)",C30H18O10,,,,,,JPMRHWLJLNKRTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.497,208-245-7,517-88-4,"(S)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)-1,4-naphthoquinone","5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)-1,4-naphthoquinone",CC(=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C,CC(=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C,"InChI=1/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3",C16H16O5,,,,,,NEZONWMXZKDMKF-JTQLQIEISA-N,,,,,,,,,,,
100.007.498,208-246-2,517-92-0,"1,8-dihydroxy-2,4,5,7-tetranitroanthraquinone","1,8-dihydroxy-2,4,5,7-tetranitro-9,10-anthraquinone",Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H4N4O12/c19-11-5(17(27)28)1-3(15(23)24)7-9(11)14(22)10-8(13(7)21)4(16(25)26)2-6(12(10)20)18(29)30/h1-2,19-20H",C14H4N4O12,,,,,,YYOOOMNEONKALI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.503,208-252-5,518-44-5,"2-(3,6-dihydroxyxanthen-9-yl)benzoic acid","2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid",OC(=O)c1ccccc1C2c3ccc(O)cc3Oc4cc(O)ccc24,OC(=O)c1ccccc1C2c3ccc(O)cc3Oc4cc(O)ccc24,"InChI=1/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24)",C20H14O5,,,,,,MURGITYSBWUQTI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.516,208-266-1,519-30-2,Dimethazan,"7-[2-(dimethylamino)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN(C)CCn1cnc2N(C)C(=O)N(C)C(=O)c12,CN(C)CCn1cnc2N(C)C(=O)N(C)C(=O)c12,"InChI=1/C11H17N5O2/c1-13(2)5-6-16-7-12-9-8(16)10(17)15(4)11(18)14(9)3/h7H,5-6H2,1-4H3",C11H17N5O2,,,,,,CMKUGKVVUUGBHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.517,208-267-7,519-32-4,"3,9-dihydro-1,3,9-trimethyl-1H-purine-2,6-dione","1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2c(ncn2C)C1=O,CN1C(=O)N(C)c2c(ncn2C)C1=O,"InChI=1/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3",C8H10N4O2,,,,,,LPHGQDQBBGAPDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.320,209-150-3,557-04-0,Magnesium distearate,magnesium dioctadecanoate,[Mg+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Mg,,,,,,HQKMJHAJHXVSDF-UHFFFAOYSA-L,,,,,,,,,,,
100.008.324,209-155-0,557-08-4,Zinc diundec-10-enoate,zinc diundec-10-enoate,[Zn+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,[Zn+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,"InChI=1/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2",C11H20O2.1/2Zn,,,,,,YMCOHQVWOBMDCZ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.333,209-165-5,557-25-5,"2,3-dihydroxypropyl butyrate","2,3-dihydroxypropyl butyrate",CCCC(=O)OCC(O)CO,CCCC(=O)OCC(O)CO,"InChI=1/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3",C7H14O4,,,,,,RIEABXYBQSLTFR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.342,209-174-4,557-40-4,Diallyl ether,"3,3'-oxybis(prop-1-ene)",C=CCOCC=C,C=CCOCC=C,"InChI=1/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",C6H10O,,,,,,ATVJXMYDOSMEPO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.059,228-664-9,6320-01-0,m-bromobenzenethiol,3-bromobenzenethiol,Sc1cccc(Br)c1,Sc1cccc(Br)c1,"InChI=1/C6H5BrS/c7-5-2-1-3-6(8)4-5/h1-4,8H",C6H5BrS,,,,,,HNGQQUDFJDROPY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.061,228-667-5,2/03/6320,o-chlorobenzenethiol,2-chlorobenzenethiol,Sc1ccccc1Cl,Sc1ccccc1Cl,"InChI=1/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5ClS,,,,,,PWOBDMNCYMQTCE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.067,228-673-8,6321-23-9,"4-methylcyclohexylamine, mixed isomers",4-methylcyclohexanamine,CC1CCC(N)CC1,CC1CCC(N)CC1,"InChI=1/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3",C7H15N,,,,,,KSMVBYPXNKCPAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.074,228-681-1,6322-53-8,Methyl DL-leucinate hydrochloride,methyl L-leucinate hydrochloride,Cl.COC(=O)[C@@H](N)CC(C)C,Cl.COC(=O)[C@@H](N)CC(C)C,"InChI=1/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H",C7H15NO2.ClH,,,,,,DODCBMODXGJOKD-RGMNGODLSA-N,,,,,,,,,,,
100.026.078,228-685-3,6324-52-3,5-bromovanillic acid,3-bromo-4-hydroxy-5-methoxybenzoic acid,COc1cc(cc(Br)c1O)C(=O)O,COc1cc(cc(Br)c1O)C(=O)O,"InChI=1/C8H7BrO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)",C8H7BrO4,,,,,,FGOVBTMEPVEFCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.081,228-689-5,6324-78-3,"p-(2,2-dimethoxyethoxy)toluene","1-(2,2-dimethoxyethoxy)-4-methylbenzene",COC(COc1ccc(C)cc1)OC,COC(COc1ccc(C)cc1)OC,"InChI=1/C11H16O3/c1-9-4-6-10(7-5-9)14-8-11(12-2)13-3/h4-7,11H,8H2,1-3H3",C11H16O3,,,,,,QRKQKOWDVJJBOE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.086,228-694-2,6326-87-0,N-(2-hydroxyethyl)-2-phenoxyacetamide,N-(2-hydroxyethyl)-2-phenoxyacetamide,OCCNC(=O)COc1ccccc1,OCCNC(=O)COc1ccccc1,"InChI=1/C10H13NO3/c12-7-6-11-10(13)8-14-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)",C10H13NO3,,,,,,VJNXHIAICRNKAE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.100,228-710-8,6333-15-9,"4,4'-dinitrobenzanilide",4-nitro-N-(4-nitrophenyl)benzamide,[O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C13H9N3O5/c17-13(9-1-5-11(6-2-9)15(18)19)14-10-3-7-12(8-4-10)16(20)21/h1-8H,(H,14,17)",C13H9N3O5,,,,,,NOMOTPVSNBNBSG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.102,228-712-9,6334-30-1,"2-hydroxybenzene-1,3,5-triyltriammonium trichloride","2,4,6-triaminophenol",Nc1cc(N)c(O)c(N)c1,Nc1cc(N)c(O)c(N)c1,"InChI=1/C6H9N3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,7-9H2",C6H9N3O.3ClH,,,,,,SUYLOMATYCPVFT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.106,228-717-6,6336-50-1,6-benzyl-2-thiouracil,"6-benzyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",O=C1NC(=S)NC(=C1)Cc2ccccc2,O=C1NC(=S)NC(=C1)Cc2ccccc2,"InChI=1/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)",C11H10N2OS,,,,,,PNXBXCRWXNESOV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.108,228-719-7,6336-53-4,"<U+03B3>,.zeta.-dioxobenzeneheptanoic acid","4,7-dioxo-7-phenylheptanoic acid",OC(=O)CCC(=O)CCC(=O)c1ccccc1,OC(=O)CCC(=O)CCC(=O)c1ccccc1,"InChI=1/C13H14O4/c14-11(7-9-13(16)17)6-8-12(15)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)",C13H14O4,,,,,,DCNLNHPQCXZOHD-UHFFFAOYSA-N,,,,,,,,,,,
100.029.194,232-113-8,7787-41-9,Barium selenate,barium selenate,[Ba+2].[O-][Se](=O)(=O)[O-],[Ba+2].[O-][Se](=O)(=O)[O-],"InChI=1/Ba.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Ba.H2O4Se,,,,,,ZIGAPMSTBOKWRT-UHFFFAOYSA-L,,,,,,,,,,,
100.029.197,232-116-4,7787-47-5,Beryllium chloride,beryllium dichloride,[Be+2].[Cl-].[Cl-],[Be+2].[Cl-].[Cl-],InChI=1/Be.2ClH/h;2*1H/q+2;;/p-2,BeCl2,,,,,,LWBPNIJBHRISSS-UHFFFAOYSA-L,,,,,,,,,,,
100.029.198,232-118-5,7787-49-7,Beryllium fluoride,beryllium difluoride,[Be+2].[F-].[F-],[Be+2].[F-].[F-],InChI=1/Be.2FH/h;2*1H/q+2;;/p-2,BeF2,,,,,,JZKFIPKXQBZXMW-UHFFFAOYSA-L,,,,,,,,,,,
100.029.199,232-119-0,7787-53-3,Beryllium diiodide,beryllium diiodide,[Be+2].[I-].[I-],[Be+2].[I-].[I-],InChI=1/Be.2HI/h;2*1H/q+2;;/p-2,BeI2,,,,,,JUCWKFHIHJQTFR-UHFFFAOYSA-L,,,,,,,,,,,
100.029.202,232-122-7,7787-59-9,Bismuth chloride oxide,chloro(oxo)bismuthine,Cl[Bi]=O,Cl[Bi]=O,InChI=1/Bi.ClH.O/h;1H;/q+1;;/p-1/rBiClO/c2-1-3,BiClO,,,,,,GLQBXSIPUULYOG-UHFFFAOYSA-M,,,,,,,,,,,
100.029.209,232-130-0,7787-69-1,Caesium bromide,caesium bromide,[Br-].[Cs+],[Br-].[Cs+],InChI=1/BrH.Cs/h1H;/q;+1/p-1,BrCs,,,,,,LYQFWZFBNBDLEO-UHFFFAOYSA-M,,,,,,,,,,,
100.029.223,232-145-2,7789-17-5,Caesium iodide,caesium iodide,[I-].[Cs+],[I-].[Cs+],InChI=1/Cs.HI/h;1H/q+1;/p-1,CsI,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12840,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.223,XQPRBTXUXXVTKB-UHFFFAOYSA-M,,,,,,,,,,,
100.029.237,232-160-4,7789-38-0,Sodium bromate,sodium bromate,[Na+].[O-]Br(=O)=O,[Na+].[O-]Br(=O)=O,"InChI=1/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",BrHO3.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14239,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.237,XUXNAKZDHHEHPC-UHFFFAOYSA-M,,,,,,,,,,,
100.029.241,232-165-1,7789-42-6,Cadmium bromide,cadmium dibromide,[Br-].[Br-].[Cd+2],[Br-].[Br-].[Cd+2],InChI=1/2BrH.Cd/h2*1H;/q;;+2/p-2,Br2Cd,,,,,,KPWJBEFBFLRCLH-UHFFFAOYSA-L,,,,,,,,,,,
100.008.282,209-108-4,555-90-8,Nicothiazone,nicotinaldehyde thiosemicarbazone,NC(=S)NN=Cc1cccnc1,NC(=S)NN=Cc1cccnc1,"InChI=1/C7H8N4S/c8-7(12)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12)",C7H8N4S,,,,,,ABWLRVJYVVQTGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.283,209-110-5,555-91-9,Zinc diphenoxide,zinc bisphenolate,O([Zn]Oc1ccccc1)c2ccccc2,O([Zn]Oc1ccccc1)c2ccccc2,"InChI=1/2C6H6O.Zn/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2",C6H6O.1/2Zn,,,,,,YMTQMTSQMKJKPX-UHFFFAOYSA-L,,,,,,,,,,,
100.008.286,209-113-1,556-03-6,DL-tyrosine,tyrosine,NC(Cc1ccc(O)cc1)C(=O)O,NC(Cc1ccc(O)cc1)C(=O)O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",C9H11NO3,,,,,,OUYCCCASQSFEME-UHFFFAOYSA-N,,,,,,,,,,,
100.008.287,209-114-7,556-08-1,Acedoben,4-acetamidobenzoic acid,CC(=O)Nc1ccc(cc1)C(=O)O,CC(=O)Nc1ccc(cc1)C(=O)O,"InChI=1/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)",C9H9NO3,,,,,,QCXJEYYXVJIFCE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.290,209-117-3,556-24-1,Methyl isovalerate,methyl 3-methylbutanoate,COC(=O)CC(C)C,COC(=O)CC(C)C,"InChI=1/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3",C6H12O2,,,,,,OQAGVSWESNCJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.299,209-127-8,556-50-3,N-glycylglycine,glycylglycine,NCC(=O)NCC(=O)O,NCC(=O)NCC(=O)O,"InChI=1/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)",C4H8N2O3,,,,,,YMAWOPBAYDPSLA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.303,209-132-5,556-61-6,Methyl isothiocyanate,isothiocyanatomethane,CN=C=S,CN=C=S,InChI=1/C2H3NS/c1-3-2-4/h1H3,C2H3NS,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11490,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.303,LGDSHSYDSCRFAB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.307,209-136-7,556-67-2,Octamethylcyclotetrasiloxane,"2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3",C8H24O4Si4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15289,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.307,HMMGMWAXVFQUOA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.626,207-287-3,459-26-7,4-fluorophenetole,1-ethoxy-4-fluorobenzene,CCOc1ccc(F)cc1,CCOc1ccc(F)cc1,"InChI=1/C8H9FO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",C8H9FO,,,,,,PURLWQWDGIIYBG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.636,207-298-3,459-73-4,Ethyl glycinate,ethyl glycinate,CCOC(=O)CN,CCOC(=O)CN,"InChI=1/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3",C4H9NO2,,,,,,NTNZTEQNFHNYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.639,207-301-8,460-07-1,1-acetylaziridine,1-acetylaziridine,CC(=O)N1CC1,CC(=O)N1CC1,"InChI=1/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3",C4H7NO,,,,,,OTIXUSNHAKOJBX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.640,207-302-3,460-08-2,2-fluoroethylamine hydrochloride,2-fluoroethanamine hydrochloride,Cl.NCCF,Cl.NCCF,"InChI=1/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H",C2H6FN.ClH,,,,,,YRRZGBOZBIVMJT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.644,207-307-0,460-35-5,"3-chloro-1,1,1-trifluoropropane","3-chloro-1,1,1-trifluoropropane",FC(F)(F)CCCl,FC(F)(F)CCCl,"InChI=1/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2",C3H4ClF3,,,,,,ZPIFKCVYZBVZIV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.648,207-311-2,461-56-3,3-fluoropropionic acid,3-fluoropropanoic acid,OC(=O)CCF,OC(=O)CCF,"InChI=1/C3H5FO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",C3H5FO2,,,,,,RPFXMKLCYJSYDE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.649,207-312-8,461-58-5,Cyanoguanidine,1-cyanoguanidine,NC(=N)NC#N,NC(=N)NC#N,"InChI=1/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)",C2H4N4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15751,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.649,QGBSISYHAICWAH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.651,207-314-9,461-78-9,Chlorphentermine,1-(4-chlorophenyl)-2-methylpropan-2-amine,CC(C)(N)Cc1ccc(Cl)cc1,CC(C)(N)Cc1ccc(Cl)cc1,"InChI=1/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3",C10H14ClN,,,,,,ZCKAMNXUHHNZLN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.656,207-320-1,461-98-3,"2,6-dimethylpyrimidin-4-ylamine","2,6-dimethylpyrimidin-4-amine",Cc1cc(N)nc(C)n1,Cc1cc(N)nc(C)n1,"InChI=1/C6H9N3/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3,(H2,7,8,9)",C6H9N3,,,,,,BJJDXAFKCKSLTE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.657,207-321-7,462-06-6,Fluorobenzene,fluorobenzene,Fc1ccccc1,Fc1ccccc1,InChI=1/C6H5F/c7-6-4-2-1-3-5-6/h1-5H,C6H5F,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1885,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.657,PYLWMHQQBFSUBP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.667,207-332-7,463-04-7,Pentyl nitrite,pentyl nitrite,CCCCCON=O,CCCCCON=O,"InChI=1/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3",C5H11NO2,,,,,,CSDTZUBPSYWZDX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.669,207-334-8,463-40-1,Linolenic acid,"octadeca-9,12,15-trienoic acid",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)O,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O,"InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",C18H30O2,,,,,,DTOSIQBPPRVQHS-PDBXOOCHSA-N,,,,,,,,,,,
100.006.672,207-337-4,463-56-9,Thiocyanic acid,thiocyanic acid,SC#N,SC#N,InChI=1/CHNS/c2-1-3/h3H,CHNS,,,,,,ZMZDMBWJUHKJPS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.833,209-714-9,591-35-5,"3,5-dichlorophenol","3,5-dichlorophenol",Oc1cc(Cl)cc(Cl)c1,Oc1cc(Cl)cc(Cl)c1,"InChI=1/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H",C6H4Cl2O,,,,,,VPOMSPZBQMDLTM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.839,209-721-7,591-59-3,DL-glyceraldehyde 3-phosphate,2-hydroxy-3-oxopropyl phosphate,OC(COP(=O)([O-])[O-])C=O,OC(COP(=O)([O-])[O-])C=O,"InChI=1/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/p-2",C3H7O6P,,,,,,LXJXRIRHZLFYRP-UHFFFAOYSA-L,,,,,,,,,,,
100.008.845,209-728-5,591-68-4,Butyl valerate,butyl valerate,CCCCOC(=O)CCCC,CCCCOC(=O)CCCC,"InChI=1/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3",C9H18O2,,,,,,OKJADYKTJJGKDX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.856,209-740-0,592-01-8,Calcium cyanide,calcium dicyanide,[Ca+2].[C-]#N.[C-]#N,[Ca+2].[C-]#N.[C-]#N,InChI=1/2CN.Ca/c2*1-2;/q2*-1;+2,C2CaN2,,,,,,ZQULWKDLLXZZSP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.857,209-741-6,592-04-1,Mercury dicyanide,mercury dicyanide,[Hg+2].[C-]#N.[C-]#N,[Hg+2].[C-]#N.[C-]#N,InChI=1/2CN.Hg/c2*1-2;/q2*-1;+2,C2HgN2,,,,,,HLWYJVCWMIOPPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.861,209-745-8,592-13-2,"2,5-dimethylhexane","2,5-dimethylhexane",CC(C)CCC(C)C,CC(C)CCC(C)C,"InChI=1/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3",C8H18,,,,,,UWNADWZGEHDQAB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.862,209-746-3,592-20-1,Acetonyl acetate,2-oxopropyl acetate,CC(=O)COC(=O)C,CC(=O)COC(=O)C,"InChI=1/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3",C5H8O3,,,,,,DBERHVIZRVGDFO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.865,209-750-5,592-34-7,Butyl chloroformate,butyl chlorocarbonate,CCCCOC(=O)Cl,CCCCOC(=O)Cl,"InChI=1/C5H9ClO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3",C5H9ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10341,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.865,NRDQFWXVTPZZAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.874,209-759-4,592-48-3,"cis,trans-hexa-1,3-diene","hexa-1,3-diene",CCC=CC=C,CCC=CC=C,"InChI=1/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3",C6H10,,,,,,AHAREKHAZNPPMI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.884,209-770-4,592-82-5,Butyl isothiocyanate,1-isothiocyanatobutane,CCCCN=C=S,CCCCN=C=S,"InChI=1/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3",C5H9NS,,,,,,LIMQQADUEULBSO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.885,209-772-5,592-84-7,Butyl formate,butyl formate,CCCCOC=O,CCCCOC=O,"InChI=1/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3",C5H10O2,,,,,,NMJJFJNHVMGPGM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.888,209-775-1,592-88-1,Diallyl sulphide,"3,3'-sulfanediylbis(prop-1-ene)",C=CCSCC=C,C=CCSCC=C,"InChI=1/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",C6H10S,,,,,,UBJVUCKUDDKUJF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.203,207-922-4,501-30-4,5-hydroxy-2-hydroxymethyl-4-pyrone,5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one,OCC1=CC(=O)C(=CO1)O,OCC1=CC(=O)C(=CO1)O,"InChI=1/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2",C6H6O4,,,,,,BEJNERDRQOWKJM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.204,207-924-5,501-52-0,3-phenylpropionic acid,3-phenylpropanoic acid,OC(=O)CCc1ccccc1,OC(=O)CCc1ccccc1,"InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",C9H10O2,,,,,,XMIIGOLPHOKFCH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.207,207-927-1,501-68-8,Beclamide,N-benzyl-3-chloropropanamide,ClCCC(=O)NCc1ccccc1,ClCCC(=O)NCc1ccccc1,"InChI=1/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)",C10H12ClNO,,,,,,JPYQFYIEOUVJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.216,207-937-6,502-42-1,Cycloheptanone,cycloheptanone,O=C1CCCCCC1,O=C1CCCCCC1,InChI=1/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2,C7H12O,,,,,,CGZZMOTZOONQIA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.225,207-947-0,502-59-0,Octamylamine,6-methyl-N-(3-methylbutyl)heptan-2-amine,CC(C)CCCC(C)NCCC(C)C,CC(C)CCCC(C)NCCC(C)C,"InChI=1/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3",C13H29N,,,,,,RRWTWWBIHKIYTH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.229,207-951-2,502-72-7,Cyclopentadecanone,cyclopentadecanone,O=C1CCCCCCCCCCCCCC1,O=C1CCCCCCCCCCCCCC1,InChI=1/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2,C15H28O,,,,,,OSOIQJGOYGSIMF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.234,207-957-5,502-99-8,"3,7-dimethylocta-1,3,7-triene","3,7-dimethylocta-1,3,7-triene",CC(=C)CCC=C(C)C=C,CC(=C)CCC=C(C)C=C,"InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3",C10H16,,,,,,XJPBRODHZKDRCB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.235,207-958-0,503-00-4,"N,1,5-trimethylhexylamine","N,6-dimethylheptan-2-amine",CNC(C)CCCC(C)C,CNC(C)CCCC(C)C,"InChI=1/C9H21N/c1-8(2)6-5-7-9(3)10-4/h8-10H,5-7H2,1-4H3",C9H21N,,,,,,KYMRGVJAIFPUPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.250,206-874-1,392-12-1,Indole-3-pyruvic acid monohydrate,3-(1H-indol-3-yl)-2-oxopropanoic acid hydrate,O.OC(=O)C(=O)Cc1c[nH]c2ccccc12,O.OC(=O)C(=O)Cc1c[nH]c2ccccc12,"InChI=1/C11H9NO3.H2O/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9;/h1-4,6,12H,5H2,(H,14,15);1H2",C11H9NO3,,,,,,KSAZXWUYOFYBGH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.343,209-176-5,557-41-5,Zinc diformate,zinc diformate,[Zn+2].[O-]C=O.[O-]C=O,[Zn+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Zn/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Zn,,,,,,XOBMCBQSUCOAOC-UHFFFAOYSA-L,,,,,,,,,,,
100.008.351,209-184-9,557-91-5,"1,1-dibromoethane","1,1-dibromoethane",CC(Br)Br,CC(Br)Br,"InChI=1/C2H4Br2/c1-2(3)4/h2H,1H3",C2H4Br2,,,,,,APQIUTYORBAGEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.352,209-185-4,557-93-7,2-bromopropene,2-bromoprop-1-ene,CC(=C)Br,CC(=C)Br,"InChI=1/C3H5Br/c1-3(2)4/h1H2,2H3",C3H5Br,,,,,,PHMRPWPDDRGGGF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.356,209-190-1,558-17-8,2-iodo-2-methylpropane,2-iodo-2-methylpropane,CC(C)(C)I,CC(C)(C)I,"InChI=1/C4H9I/c1-4(2,3)5/h1-3H3",C4H9I,,,,,,ANGGPYSFTXVERY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.358,209-192-2,558-25-8,Methanesulphonyl fluoride,methanesulfonyl fluoride,CS(=O)(=O)F,CS(=O)(=O)F,"InChI=1/CH3FO2S/c1-5(2,3)4/h1H3",CH3FO2S,,,,,,KNWQLFOXPQZGPX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.360,209-194-3,558-32-7,Tetramethylammonium hexafluorophosphate,"N,N,N-trimethylmethanaminium hexafluorophosphate",C[N+](C)(C)C.F[P-](F)(F)(F)(F)F,C[N+](C)(C)C.F[P-](F)(F)(F)(F)F,"InChI=1/C4H12N.F6P/c1-5(2,3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1",C4H12N.F6P,,,,,,ZFKULDQWLXAKIM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.361,209-195-9,558-37-2,"3,3-dimethylbutene","3,3-dimethylbut-1-ene",CC(C)(C)C=C,CC(C)(C)C=C,"InChI=1/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3",C6H12,,,,,,PKXHXOTZMFCXSH-UHFFFAOYSA-N,,,,,,,,,,,
100.008.363,209-198-5,558-43-0,"2-methylpropane-1,2-diol","2-methylpropane-1,2-diol",CC(C)(O)CO,CC(C)(O)CO,"InChI=1/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3",C4H10O2,,,,,,BTVWZWFKMIUSGS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.364,209-199-0,558-97-4,Nonadecafluoro-9-iodononane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-9-iodononane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C9F19I/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29",C9F19I,,,,,,YYCFEDCTRHSPLB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.372,209-208-8,560-27-0,Dihydroxymalonic acid,dihydroxymalonic acid,OC(=O)C(O)(O)C(=O)O,OC(=O)C(O)(O)C(=O)O,"InChI=1/C3H4O6/c4-1(5)3(8,9)2(6)7/h8-9H,(H,4,5)(H,6,7)",C3H4O6,,,,,,VUCKYGJSXHHQOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.683,207-350-5,464-41-5,Endo-2-chlorobornane,"2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane",CC1(C)[C@H]2CC[C@]1(C)[C@H](Cl)C2,CC1(C)[C@H]2CC[C@]1(C)[C@H](Cl)C2,"InChI=1/C10H17Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3",C10H17Cl,,,,,,XXZAOMJCZBZKPV-QXFUBDJGSA-N,,,,,,,,,,,
100.006.685,207-352-6,464-43-7,"(1R,2S,4R)-borneol","1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)C2CCC1(C)C(O)C2,CC1(C)C2CCC1(C)C(O)C2,"InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,DTGKSKDOIYIVQL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.686,207-353-1,464-45-9,"(1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2,CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2,"InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,DTGKSKDOIYIVQL-QXFUBDJGSA-N,,,,,,,,,,,
100.006.688,207-355-2,464-49-3,(+)-bornan-2-one,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC1(C)C(=O)C2,CC1(C)C2CCC1(C)C(=O)C2,"InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",C10H16O,,,,,,DSSYKIVIOFKYAU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.690,207-357-3,464-85-7,"8a-(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol","8a-(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol",OC12CCOC1(Nc3ccccc23)C4CC5CCN4CC5C=C,OC12CCOC1(Nc3ccccc23)C4CC5CCN4CC5C=C,"InChI=1/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2",C19H24N2O2,,,,,,ALNKTVLUDWIWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.691,207-358-9,465-14-5,"(3a,5ß,12ß)-3,12,14-trihydroxycard-20(22)-enolide","3,12,14-trihydroxycard-20(22)-enolide",C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5,"InChI=1/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3",C23H34O5,,,,,,SHIBSTMRCDJXLN-DYQFMBOASA-N,,,,,,,,,,,
100.006.692,207-359-4,465-15-6,"3ß,14,16ß-trihydroxy-5-ßcard-20(22)-enolide 16-acetate","16-acetoxy-3,14-dihydroxycard-20(22)-enolide",CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C5=CC(=O)OC5,CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C5=CC(=O)OC5,"InChI=1/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3",C25H36O6,,,,,,IWCNCUVTGOMGKG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.680,228-247-1,6193-47-1,Cyclopropyl 2-thienyl ketone,cyclopropyl(2-thienyl)methanone,O=C(C1CC1)c2cccs2,O=C(C1CC1)c2cccs2,"InChI=1/C8H8OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6H,3-4H2",C8H8OS,,,,,,PJDFNFSTSCAKPC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.686,228-253-4,6200-40-4,[3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium chloride,"3-(dodecyloxy)-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCCOCC(O)C[N+](C)(CCO)CCO,[Cl-].CCCCCCCCCCCCOCC(O)C[N+](C)(CCO)CCO,"InChI=1/C20H44NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-17-25-19-20(24)18-21(2,13-15-22)14-16-23;/h20,22-24H,3-19H2,1-2H3;1H/q+1;/p-1",C20H44NO4.Cl,,,,,,ONBIVJYAPNYEDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.025.691,228-259-7,6201-78-1,5-[(4-aminobenzoyl)amino]salicylic acid,5-[(4-aminobenzoyl)amino]-2-hydroxybenzoic acid,Nc1ccc(cc1)C(=O)Nc2ccc(O)c(c2)C(=O)O,Nc1ccc(cc1)C(=O)Nc2ccc(O)c(c2)C(=O)O,"InChI=1/C14H12N2O4/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12(17)11(7-10)14(19)20/h1-7,17H,15H2,(H,16,18)(H,19,20)",C14H12N2O4,,,,,,ANWCFOBHFNQQSV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.693,228-261-8,6201-86-1,3-amino-5-sulphosalicylic acid,3-amino-2-hydroxy-5-sulfobenzoic acid,Nc1cc(cc(C(=O)O)c1O)S(=O)(=O)O,Nc1cc(cc(C(=O)O)c1O)S(=O)(=O)O,"InChI=1/C7H7NO6S/c8-5-2-3(15(12,13)14)1-4(6(5)9)7(10)11/h1-2,9H,8H2,(H,10,11)(H,12,13,14)",C7H7NO6S,,,,,,ZLTOYIGWKLTQBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.695,228-263-9,6202-21-7,4-sulphanilamidosalicylic acid,4-{[(4-aminophenyl)sulfonyl]amino}-2-hydroxybenzoic acid,Nc1ccc(cc1)S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2,Nc1ccc(cc1)S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2,"InChI=1/C13H12N2O5S/c14-8-1-4-10(5-2-8)21(19,20)15-9-3-6-11(13(17)18)12(16)7-9/h1-7,15-16H,14H2,(H,17,18)",C13H12N2O5S,,,,,,CDUAVAXMQCAYTC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.704,228-273-3,6204-43-9,"trans-2-bromomethyl-1,3-dioxolane-4-methanol","[2-(bromomethyl)-1,3-dioxolan-4-yl]methanol",OC[C@H]1CO[C@H](CBr)O1,OC[C@H]1CO[C@H](CBr)O1,"InChI=1/C5H9BrO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2",C5H9BrO3,,,,,,ZSLVLMWYSIERCN-WHFBIAKZSA-N,,,,,,,,,,,
100.025.705,228-274-9,6204-62-2,"1-(2,3-dihydro-8-hydroxy-1,4-benzodioxin-5-yl)ethan-1-one","1-(8-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone",CC(=O)c1ccc(O)c2OCCOc12,CC(=O)c1ccc(O)c2OCCOc12,"InChI=1/C10H10O4/c1-6(11)7-2-3-8(12)10-9(7)13-4-5-14-10/h2-3,12H,4-5H2,1H3",C10H10O4,,,,,,JTCQHKLPDZBYKO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.708,228-278-0,6211-24-1,Barium bis(4-anilinobenzenesulphonate),barium bis(4-anilinobenzenesulfonate),[Ba+2].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1.[O-]S(=O)(=O)c3ccc(Nc4ccccc4)cc3,[Ba+2].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1.[O-]S(=O)(=O)c3ccc(Nc4ccccc4)cc3,"InChI=1/2C12H11NO3S.Ba/c2*14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h2*1-9,13H,(H,14,15,16);/q;;+2/p-2",C12H11NO3S.1/2Ba,,,,,,IVCNVXFNTKXMCA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.711,228-281-7,6213-94-1,Trimethyl(vinyloxy)silane,trimethyl(vinyloxy)silane,C[Si](C)(C)OC=C,C[Si](C)(C)OC=C,"InChI=1/C5H12OSi/c1-5-6-7(2,3)4/h5H,1H2,2-4H3",C5H12OSi,,,,,,HFTNNOZFRQLFQB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.718,228-289-0,6219-66-5,"7-acetyl-6-ethyl-9,10-dihydro-3,5,8-trihydroxy-9,10-dioxoanthracene-1,2-dicarboxylic acid","7-acetyl-6-ethyl-3,5,8-trihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid",CCc1c(O)c2C(=O)c3cc(O)c(C(=O)O)c(C(=O)O)c3C(=O)c2c(O)c1C(=O)C,CCc1c(O)c2C(=O)c3cc(O)c(C(=O)O)c(C(=O)O)c3C(=O)c2c(O)c1C(=O)C,"InChI=1/C20H14O10/c1-3-6-9(5(2)21)17(25)14-13(15(6)23)16(24)7-4-8(22)11(19(27)28)12(20(29)30)10(7)18(14)26/h4,22-23,25H,3H2,1-2H3,(H,27,28)(H,29,30)",C20H14O10,,,,,,RHAXKFFKGZJUOE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.724,228-295-3,6219-97-2,"N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]benzamide","N-[5,8,14-trioxo-11-(trifluoromethyl)-5,8,13,14-tetrahydronaphtho[2,3-c]acridin-6-yl]benzamide",FC(F)(F)c1ccc2C(=O)c3cc(NC(=O)c4ccccc4)c5C(=O)c6ccccc6C(=O)c5c3Nc2c1,FC(F)(F)c1ccc2C(=O)c3cc(NC(=O)c4ccccc4)c5C(=O)c6ccccc6C(=O)c5c3Nc2c1,"InChI=1/C29H15F3N2O4/c30-29(31,32)15-10-11-18-20(12-15)33-24-19(25(18)35)13-21(34-28(38)14-6-2-1-3-7-14)22-23(24)27(37)17-9-5-4-8-16(17)26(22)36/h1-13H,(H,33,35)(H,34,38)",C29H15F3N2O4,,,,,,JFNJYBPWYDSPLH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.339,233-387-1,10138-62-2,Holmium trichloride,holmium trichloride,[Cl-].[Cl-].[Cl-].[Ho+3],[Cl-].[Cl-].[Cl-].[Ho+3],InChI=1/3ClH.Ho/h3*1H;/q;;;+3/p-3,Cl3Ho,,,,,,PYOOBRULIYNHJR-UHFFFAOYSA-K,,,,,,,,,,,
100.030.340,233-388-7,10138-79-1,Tris(2-chloroethoxy)silane,tris(2-chloroethoxy)silane,ClCCO[SiH](OCCCl)OCCCl,ClCCO[SiH](OCCCl)OCCCl,"InChI=1/C6H13Cl3O3Si/c7-1-4-10-13(11-5-2-8)12-6-3-9/h13H,1-6H2",C6H13Cl3O3Si,,,,,,GSDMVIWNWCWYFB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.344,233-392-9,10139-02-3,4'-nitrophenyl-2-acetamido-2-deoxy-a-D-glucopyranoside,2-nitrophenyl 2-acetamido-2-deoxyhexopyranoside,CC(=O)NC1C(O)C(O)C(CO)OC1Oc2ccccc2N(=O)=O,CC(=O)NC1C(O)C(O)C(CO)OC1Oc2ccccc2N(=O)=O,"InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)",C14H18N2O8,,,,,,PXMQUEGJJUADKD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.674,207-340-0,463-58-1,Carbonyl sulphide,oxo(thioxo)methane,O=C=S,O=C=S,InChI=1/COS/c2-1-3,COS,,,,,,JJWKPURADFRFRB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.680,207-346-3,464-06-2,"2,2,3-trimethylbutane","2,2,3-trimethylbutane",CC(C)C(C)(C)C,CC(C)C(C)(C)C,"InChI=1/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3",C7H16,,,,,,ZISSAWUMDACLOM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.190,210-108-1,606-22-4,"2,6-dinitroaniline","2,6-dinitroaniline",Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2",C6H5N3O4,,,,,,QFUSCYRJMXLNRB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.191,210-109-7,606-23-5,"Indan-1,3-dione","1H-indene-1,3(2H)-dione",O=C1CC(=O)c2ccccc12,O=C1CC(=O)c2ccccc12,"InChI=1/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2",C9H6O2,,,,,,UHKAJLSKXBADFT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.198,210-117-0,606-41-7,2-amino-1-naphthol,2-amino-1-naphthol,Nc1ccc2ccccc2c1O,Nc1ccc2ccccc2c1O,"InChI=1/C10H9NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,12H,11H2",C10H9NO,,,,,,QPKNFEVLZVJGBM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.200,210-119-1,606-46-2,"N,N-diethyl-o-toluidine","N,N-diethyl-2-methylaniline",CCN(CC)c1ccccc1C,CCN(CC)c1ccccc1C,"InChI=1/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3",C11H17N,,,,,,YQYUUNRAPYPAPC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.204,210-123-3,606-68-8,"Dihydronicotinamide-adenine dinucleotide, disodium salt",-,NC(=O)C1=CN(C=CC1)C2(COP(=O)(O[Na])OP(=O)(O)O[Na])OC(C(O)C2O)n3cnc4c(N)ncnc34,NC(=O)C1=CN(C=CC1)C2(COP(=O)(O[Na])OP(=O)(O)O[Na])OC(C(O)C2O)n3cnc4c(N)ncnc34,"InChI=1/C16H21N7O11P2.2Na/c17-12-9-14(20-6-19-12)23(7-21-9)15-10(24)11(25)16(33-15,5-32-36(30,31)34-35(27,28)29)22-3-1-2-8(4-22)13(18)26;;/h1,3-4,6-7,10-11,15,24-25H,2,5H2,(H2,18,26)(H,30,31)(H2,17,19,20)(H2,27,28,29);;/q;2*+1/p-2/rC16H19N7Na2O11P2/c17-12-9-14(20-6-19-12)23(7-21-9)15-10(26)11(27)16(33-15,22-3-1-2-8(4-22)13(18)28)5-32-38(31,35-25)36-37(29,30)34-24/h1,3-4,6-7,10-11,15,26-27H,2,5H2,(H2,18,28)(H,29,30)(H2,17,19,20)",C21H29N7O14P2.2Na,,,,,,WKKIRQKXAMSMMM-UHFFFAOYSA-L,,,,,,,,,,,
100.009.207,210-127-5,606-87-1,Benzyldiphenylamine,N-benzyl-N-phenylaniline,C(N(c1ccccc1)c2ccccc2)c3ccccc3,C(N(c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C19H17N/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2",C19H17N,,,,,,FKJARBPQBIATJT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.216,210-136-4,607-55-6,1-naphthyl benzoate,1-naphthyl benzoate,O=C(Oc1cccc2ccccc12)c3ccccc3,O=C(Oc1cccc2ccccc12)c3ccccc3,InChI=1/C17H12O2/c18-17(14-8-2-1-3-9-14)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,C17H12O2,,,,,,KZWCTFLBFSWYHS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.217,210-138-5,607-57-8,2-nitrofluorene,2-nitro-9H-fluorene,[O-][N+](=O)c1ccc2c(Cc3ccccc23)c1,[O-][N+](=O)c1ccc2c(Cc3ccccc23)c1,"InChI=1/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2",C13H9NO2,,,,,,XFOHWECQTFIEIX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.220,210-141-1,607-71-6,4-methylcoumarin,4-methyl-2H-chromen-2-one,CC1=CC(=O)Oc2ccccc12,CC1=CC(=O)Oc2ccccc12,"InChI=1/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3",C10H8O2,,,,,,PSGQCCSGKGJLRL-UHFFFAOYSA-N,Positive,SM821501,[M+H]+,HCD35,161.0598:133.0649:118.0414,CASMI_2016,,,,,
100.009.222,210-143-2,607-85-2,Isopropyl salicylate,isopropyl salicylate,CC(C)OC(=O)c1ccccc1O,CC(C)OC(=O)c1ccccc1O,"InChI=1/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3",C10H12O3,,,,,,YEULQIJMIOWCHB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.227,210-149-5,607-95-4,"2,4,6-tribromophenyl acetate","2,4,6-tribromophenyl acetate",CC(=O)Oc1c(Br)cc(Br)cc1Br,CC(=O)Oc1c(Br)cc(Br)cc1Br,"InChI=1/C8H5Br3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3",C8H5Br3O2,,,,,,SLENHFBXWIEZCY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.231,210-153-7,608-07-1,2-(5-methoxyindol-3-yl)ethylamine,2-(5-methoxy-1H-indol-3-yl)ethanamine,COc1ccc2[nH]cc(CCN)c2c1,COc1ccc2[nH]cc(CCN)c2c1,"InChI=1/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3",C11H14N2O,,,,,,JTEJPPKMYBDEMY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.232,210-154-2,608-08-2,3-acetoxyindole,1H-indol-3-yl acetate,CC(=O)Oc1c[nH]c2ccccc12,CC(=O)Oc1c[nH]c2ccccc12,"InChI=1/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3",C10H9NO2,,,,,,JBOPQACSHPPKEP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.233,210-155-8,608-25-3,2-methylresorcinol,"2-methylbenzene-1,3-diol",Cc1c(O)cccc1O,Cc1c(O)cccc1O,"InChI=1/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3",C7H8O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5570,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.233,ZTMADXFOCUXMJE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.242,210-165-2,608-66-2,Galactitol,D-galactitol,O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO,O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO,"InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2",C6H14O6,,,,,,FBPFZTCFMRRESA-GUCUJZIJSA-N,,,,,,,,,,,
100.009.243,210-166-8,608-68-4,"Dimethyl [R(R*,R*)]-tartrate",dimethyl tartarate,COC(=O)C(O)C(O)C(=O)OC,COC(=O)C(O)C(O)C(=O)OC,"InChI=1/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3",C6H10O6,,,,,,PVRATXCXJDHJJN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.254,206-878-3,392-68-7,Ethyl trifluoroacrylate,"ethyl 2,3,3-trifluoroacrylate",CCOC(=O)C(=C(F)F)F,CCOC(=O)C(=C(F)F)F,"InChI=1/C5H5F3O2/c1-2-10-5(9)3(6)4(7)8/h2H2,1H3",C5H5F3O2,,,,,,FMFMWMOBOFPQMW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.627,210-588-2,619-25-0,3-nitrobenzyl alcohol,(3-nitrophenyl)methanol,OCc1cccc(c1)[N+](=O)[O-],OCc1cccc(c1)[N+](=O)[O-],"InChI=1/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2",C7H7NO3,,,,,,CWNPOQFCIIFQDM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.628,210-589-8,619-27-2,3-nitrophenylhydrazine,(3-nitrophenyl)hydrazine,NNc1cccc(c1)[N+](=O)[O-],NNc1cccc(c1)[N+](=O)[O-],"InChI=1/C6H7N3O2/c7-8-5-2-1-3-6(4-5)9(10)11/h1-4,8H,7H2",C6H7N3O2,,,,,,JFILLLZWNHOVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.631,210-592-4,619-35-2,"1,1-dipropylurea","1,1-dipropylurea",CCCN(CCC)C(=O)N,CCCN(CCC)C(=O)N,"InChI=1/C7H16N2O/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3,(H2,8,10)",C7H16N2O,,,,,,KTKDYVVUGTXLJK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.632,210-594-5,619-39-6,2-octyldecanoic acid,2-octyldecanoic acid,CCCCCCCCC(CCCCCCCC)C(=O)O,CCCCCCCCC(CCCCCCCC)C(=O)O,"InChI=1/C18H36O2/c1-3-5-7-9-11-13-15-17(18(19)20)16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20)",C18H36O2,,,,,,OYYXZGFIZTYYRB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.635,210-597-1,619-44-3,Methyl 4-iodobenzoate,methyl 4-iodobenzoate,COC(=O)c1ccc(I)cc1,COC(=O)c1ccc(I)cc1,"InChI=1/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3",C8H7IO2,,,,,,DYUWQWMXZHDZOR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.636,210-598-7,619-45-4,Methyl 4-aminobenzoate,methyl 4-aminobenzoate,COC(=O)c1ccc(N)cc1,COC(=O)c1ccc(N)cc1,"InChI=1/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3",C8H9NO2,,,,,,LZXXNPOYQCLXRS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.638,210-600-6,619-55-6,p-toluamide,4-methylbenzamide,Cc1ccc(cc1)C(=O)N,Cc1ccc(cc1)C(=O)N,"InChI=1/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)",C8H9NO,,,,,,UHBGYFCCKRAEHA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.643,210-605-3,619-64-7,4-ethylbenzoic acid,4-ethylbenzoic acid,CCc1ccc(cc1)C(=O)O,CCc1ccc(cc1)C(=O)O,"InChI=1/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)",C9H10O2,,,,,,ZQVKTHRQIXSMGY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.651,210-614-2,619-82-9,trans-hexahydroterephthalic acid,"cyclohexane-1,4-dicarboxylic acid",OC(=O)[C@@H]1CC[C@H](CC1)C(=O)O,OC(=O)[C@@H]1CC[C@H](CC1)C(=O)O,"InChI=1/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)",C8H12O4,,,,,,PXGZQGDTEZPERC-IZLXSQMJSA-N,,,,,,,,,,,
100.009.653,210-616-3,619-86-3,4-ethoxybenzoic acid,4-ethoxybenzoic acid,CCOc1ccc(cc1)C(=O)O,CCOc1ccc(cc1)C(=O)O,"InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)",C9H10O3,,,,,,SHSGDXCJYVZFTP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.655,210-618-4,619-90-9,p-nitrobenzyl acetate,4-nitrobenzyl acetate,CC(=O)OCc1ccc(cc1)[N+](=O)[O-],CC(=O)OCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H9NO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3",C9H9NO4,,,,,,QNXQLPUEZYZYFC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.656,210-620-5,619-93-2,"cis-4,4'-dinitrostilbene","1,1'-ethene-1,2-diylbis(4-nitrobenzene)",[O-][N+](=O)c1ccc(\\C=C/c2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(\C=C/c2ccc(cc2)[N+](=O)[O-])cc1,InChI=1/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,C14H10N2O4,,,,,,CLVIIRIMEIEKOQ-UPHRSURJSA-N,,,,,,,,,,,
100.009.660,210-624-7,620-08-6,4-methoxypyridine,4-methoxypyridine,COc1ccncc1,COc1ccncc1,"InChI=1/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3",C6H7NO,,,,,,XQABVLBGNWBWIV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.669,210-634-1,620-26-8,m-nitrosotoluene,1-methyl-3-nitrosobenzene,Cc1cccc(c1)N=O,Cc1cccc(c1)N=O,"InChI=1/C7H7NO/c1-6-3-2-4-7(5-6)8-9/h2-5H,1H3",C7H7NO,,,,,,UTYPDIZEMVOOJA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.671,210-636-2,620-32-6,Dibenzyl sulphone,"1,1'-[sulfonylbis(methylene)]dibenzene",O=S(=O)(Cc1ccccc1)Cc2ccccc2,O=S(=O)(Cc1ccccc1)Cc2ccccc2,"InChI=1/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14O2S,,,,,,AWHNUHMUCGRKRA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.917,208-707-8,539-03-7,4'-chloroacetanilide,N-(4-chlorophenyl)acetamide,CC(=O)Nc1ccc(Cl)cc1,CC(=O)Nc1ccc(Cl)cc1,"InChI=1/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",C8H8ClNO,,,,,,GGUOCFNAWIODMF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.920,208-710-4,539-15-1,4-(2-dimethylaminoethyl)phenol,4-[2-(dimethylamino)ethyl]phenol,CN(C)CCc1ccc(O)cc1,CN(C)CCc1ccc(O)cc1,"InChI=1/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3",C10H15NO,,,,,,KUBCEEMXQZUPDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.922,208-713-0,539-21-9,Ambazone,"2-[4-(carbamothioylhydrazono)cyclohexa-2,5-dien-1-ylidene]hydrazinecarboximidamide hydrate",O.NC(=S)NN=C\\1/C=C\\C(=NNC(N)=N)/C=C/1,O.NC(=S)NN=C\1/C=C\C(=NNC(N)=N)/C=C/1,"InChI=1/C8H11N7S.H2O/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16;/h1-4H,(H4,9,10,14)(H3,11,15,16);1H2",C8H11N7S,,,,,,IEMLQLDCDHGTMI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.923,208-714-6,539-30-0,Benzyl ethyl ether,(ethoxymethyl)benzene,CCOCc1ccccc1,CCOCc1ccccc1,"InChI=1/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C9H12O,,,,,,AXPZDYVDTMMLNB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.707,207-376-7,466-49-9,Aspidospermine,1-acetyl-17-methoxyaspidospermidine,CC(=O)N2c1c(cccc1OC)[C@]35CCN4CCC[C@](CC)(CC[C@@H]23)[C@@H]45,CC(=O)N2c1c(cccc1OC)[C@]35CCN4CCC[C@](CC)(CC[C@@H]23)[C@@H]45,"InChI=1/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3",C22H30N2O2,,,,,,ARQOGCYMPUOVHK-ZHHKINOHSA-N,,,,,,,,,,,
100.006.714,207-384-0,467-02-7,"(5a)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-one","3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one",CN1CC[C@@]23[C@H]4C=CC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,CN1CC[C@@]23[C@H]4C=CC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,"InChI=1/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3",C17H17NO3,,,,,,PFBSOANQDDTNGJ-YNHQPCIGSA-N,,,,,,,,,,,
100.006.716,207-386-1,467-13-0,"(5a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one","3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one",COc1ccc2C[C@@H]3[C@@H]4C=CC(=O)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4C=CC(=O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3",C18H19NO3,,,,,,XYYVYLMBEZUESM-CMKMFDCUSA-N,,,,,,,,,,,
100.006.717,207-387-7,467-14-1,"(5a,6a)-8,14-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol","3-methoxy-17-methyl-8,14-didehydro-4,5-epoxymorphinan-6-ol",COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC=C35,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC=C35,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3",C18H21NO3,,,,,,NNDKZTBFZTWKLA-QISBLDNZSA-N,,,,,,,,,,,
100.006.722,207-392-4,467-55-0,3-ß-hydroxy-5-a-spirostan-12-one,3-hydroxyspirostan-12-one,CC1CCC2(OC1)OC3CC4C5CCC6CC(O)CCC6(C)C5CC(=O)C4(C)C3C2C,CC1CCC2(OC1)OC3CC4C5CCC6CC(O)CCC6(C)C5CC(=O)C4(C)C3C2C,"InChI=1/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3",C27H42O4,,,,,,QOLRLLFJMZLYQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.726,207-397-1,467-69-6,Flurenol,9-hydroxy-9H-fluorene-9-carboxylic acid,OC(=O)C3(O)c1ccccc1c2ccccc23,OC(=O)C3(O)c1ccccc1c2ccccc23,"InChI=1/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)",C14H10O3,,,,,,GXAMYUGOODKVRM-UHFFFAOYSA-N,Negative,,,,,,EQ309451|EQ309452|EQ309453|EQ309454,[M-H]-,HCD15|HCD30|HCD45|HCD60,213.0556:195.0451:169.0659|213.0556:195.0451:169.0658|213.0557:195.0451:180.058|213.0556:195.0451:180.0581,Eawag
100.006.727,207-398-7,467-77-6,Methyl ibogamine-18-carboxylate,methyl ibogamine-18-carboxylate,CC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C2)([C@H]13)C(=O)OC,CC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C2)([C@H]13)C(=O)OC,"InChI=1/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3",C21H26N2O2,,,,,,NVVDQMVGALBDGE-PZXGUROGSA-N,,,,,,,,,,,
100.006.729,207-400-6,467-84-5,Phenadoxone,"6-morpholin-4-yl-4,4-diphenylheptan-3-one",CCC(=O)C(CC(C)N1CCOCC1)(c2ccccc2)c3ccccc3,CCC(=O)C(CC(C)N1CCOCC1)(c2ccccc2)c3ccccc3,"InChI=1/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3",C23H29NO2,,,,,,LOXCOAXRHYDLOW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.730,207-401-1,467-85-6,Normethadone,"6-(dimethylamino)-4,4-diphenylhexan-3-one",CCC(=O)C(CCN(C)C)(c1ccccc1)c2ccccc2,CCC(=O)C(CCN(C)C)(c1ccccc1)c2ccccc2,"InChI=1/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3",C20H25NO,,,,,,WCJFBSYALHQBSK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.395,226-834-7,5497-67-6,"2,2-dimethylpent-4-enal","2,2-dimethylpent-4-enal",CC(C)(CC=C)C=O,CC(C)(CC=C)C=O,"InChI=1/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3",C7H12O,,,,,,DXSDIWHOOOBQTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.396,226-835-2,5497-76-7,tert-butyl L-prolinate hydrochloride,tert-butyl L-prolinate hydrochloride,Cl.CC(C)(C)OC(=O)[C@@H]1CCCN1,Cl.CC(C)(C)OC(=O)[C@@H]1CCCN1,"InChI=1/C9H17NO2.ClH/c1-9(2,3)12-8(11)7-5-4-6-10-7;/h7,10H,4-6H2,1-3H3;1H",C9H17NO2.ClH,,,,,,IUUYANMOEMBTBV-FJXQXJEOSA-N,,,,,,,,,,,
100.024.399,226-838-9,5502-74-9,4-(2-hydroxy-2-propyl)cyclohexene-1-methanol,2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-ol,CC(C)(O)C1CCC(=CC1)CO,CC(C)(O)C1CCC(=CC1)CO,"InChI=1/C10H18O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3,9,11-12H,4-7H2,1-2H3",C10H18O2,,,,,,XYKGEKWHBMLSGS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.400,226-839-4,5502-78-3,"2-amino-1,9-dihydro-9-methyl-6H-purin-6-one","2-amino-9-methyl-1,9-dihydro-6H-purin-6-one",Cn1cnc2C(=O)NC(=Nc12)N,Cn1cnc2C(=O)NC(=Nc12)N,"InChI=1/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)",C6H7N5O,,,,,,UUWJNBOCAPUTBK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.401,226-841-5,5502-88-5,4-isopropyl-1-methylcyclohexene,4-isopropyl-1-methylcyclohexene,CC(C)C1CCC(=CC1)C,CC(C)C1CCC(=CC1)C,"InChI=1/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3",C10H18,,,,,,FAMJUFMHYAFYNU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.409,226-849-9,5505-84-0,4-methyl-4-(4-methylcyclohexyl)pentan-2-one,4-methyl-4-(4-methylcyclohexyl)pentan-2-one,CC1CCC(CC1)C(C)(C)CC(=O)C,CC1CCC(CC1)C(C)(C)CC(=O)C,"InChI=1/C13H24O/c1-10-5-7-12(8-6-10)13(3,4)9-11(2)14/h10,12H,5-9H2,1-4H3",C13H24O,,,,,,FIHXKZYLIWLRND-UHFFFAOYSA-N,,,,,,,,,,,
100.024.410,226-850-4,5507-44-8,Diethoxy(methyl)(vinyl)silane,diethoxy(methyl)vinylsilane,CCO[Si](C)(OCC)C=C,CCO[Si](C)(OCC)C=C,"InChI=1/C7H16O2Si/c1-5-8-10(4,7-3)9-6-2/h7H,3,5-6H2,1-2,4H3",C7H16O2Si,,,,,,MBGQQKKTDDNCSG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.346,233-395-5,10139-18-1,"a-D-glucose 1,6-bis(dihydrogen phosphate)","1,6-di-O-phosphonohexopyranose",OC1C(O)C(COP(=O)(O)O)OC(OP(=O)(O)O)C1O,OC1C(O)C(COP(=O)(O)O)OC(OP(=O)(O)O)C1O,"InChI=1/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)",C6H14O12P2,,,,,,RWHOZGRAXYWRNX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.354,233-403-7,10142-37-7,Sodium 3-[(4-amino-3-methoxyphenyl)azo]benzoate,sodium 3-[(4-amino-3-methoxyphenyl)diazenyl]benzoate,[Na+].Nc1ccc(cc1OC)N=Nc2cc(ccc2)C([O-])=O,[Na+].Nc1ccc(cc1OC)N=Nc2cc(ccc2)C([O-])=O,"InChI=1/C14H13N3O3.Na/c1-20-13-8-11(5-6-12(13)15)17-16-10-4-2-3-9(7-10)14(18)19;/h2-8H,15H2,1H3,(H,18,19);/q;+1/p-1",C14H13N3O3.Na,,,,,,AJDMQIQLQVJZFF-UHFFFAOYSA-M,,,,,,,,,,,
100.030.363,233-413-1,10144-81-7,"3,12-diethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione","3,12-diethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione",CCOc1ccc2nc3c4ccc5c6nc7ccc(OCC)cc7n6C(=O)c8ccc(C(=O)n3c2c1)c4c58,CCOc1ccc2nc3c4ccc5c6nc7ccc(OCC)cc7n6C(=O)c8ccc(C(=O)n3c2c1)c4c58,"InChI=1/C30H20N4O4/c1-3-37-15-5-11-21-23(13-15)33-27(31-21)17-7-8-18-26-20(10-9-19(25(17)26)29(33)35)30(36)34-24-14-16(38-4-2)6-12-22(24)32-28(18)34/h5-14H,3-4H2,1-2H3",C30H20N4O4,,,,,,UEPHXUIJCUREQH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.365,233-415-2,10147-37-2,Isopropylsulphonyl chloride,propane-2-sulfonyl chloride,CC(C)S(=O)(=O)Cl,CC(C)S(=O)(=O)Cl,"InChI=1/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3",C3H7ClO2S,,,,,,DRINJBFRTLBHNF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.370,233-421-5,10151-78-7,Cyclohexyl 2-cyanoacrylate,cyclohexyl 2-cyanoacrylate,C=C(C#N)C(=O)OC1CCCCC1,C=C(C#N)C(=O)OC1CCCCC1,"InChI=1/C10H13NO2/c1-8(7-11)10(12)13-9-5-3-2-4-6-9/h9H,1-6H2",C10H13NO2,,,,,,ILRMPAUJTPZAIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.374,233-425-7,10154-97-9,2-(4-hydroxy-1-naphthyloxy)propionic acid,2-[(4-hydroxy-1-naphthyl)oxy]propanoic acid,CC(Oc1ccc(O)c2ccccc12)C(=O)O,CC(Oc1ccc(O)c2ccccc12)C(=O)O,"InChI=1/C13H12O4/c1-8(13(15)16)17-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-8,14H,1H3,(H,15,16)",C13H12O4,,,,,,MFSBBXLGJBDALP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.125,226-537-2,5421-17-0,Hexyl phenylacetate,hexyl phenylacetate,CCCCCCOC(=O)Cc1ccccc1,CCCCCCOC(=O)Cc1ccccc1,"InChI=1/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3",C14H20O2,,,,,,MTAHGWGAEGVCLS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.127,226-539-3,5421-40-9,4'-methoxybutyranilide,N-(4-methoxyphenyl)butanamide,CCCC(=O)Nc1ccc(OC)cc1,CCCC(=O)Nc1ccc(OC)cc1,"InChI=1/C11H15NO2/c1-3-4-11(13)12-9-5-7-10(14-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,12,13)",C11H15NO2,,,,,,JOJWXZRJWDMSQA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.129,226-541-4,5421-66-9,"2,4-bis(2,4-diamino-5-methyl-1-benzenazo)toluene","4,4'-[(4-methyl-1,3-phenylene)didiazene-2,1-diyl]bis(6-methylbenzene-1,3-diamine)",Cc1cc(N=Nc2ccc(C)c(c2)N=Nc3cc(C)c(N)cc3N)c(N)cc1N,Cc1cc(N=Nc2ccc(C)c(c2)N=Nc3cc(C)c(N)cc3N)c(N)cc1N,"InChI=1/C21H24N8/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25/h4-10H,22-25H2,1-3H3",C21H24N8.2ClH,,,,,,SOJKLCSQJMPLCK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.132,226-545-6,5422-17-3,"Trisodium 5-[[4'-[[8-amino-1-hydroxy-7-[(p-nitrophenyl)azo]-3,6-disulphonato-2-naphthyl]azo]-4-biphenyl]azo]salicylate","trisodium 5-{[4'-({8-amino-1-hydroxy-7-[(4-nitrophenyl)diazenyl]-3,6-disulfonato-2-naphthyl}diazenyl)biphenyl-4-yl]diazenyl}-2-hydroxybenzoate",Nc1c(N=Nc2ccc(cc2)N(=O)=O)c(cc3cc(c(N=Nc4ccc(cc4)c5ccc(cc5)N=Nc6ccc(O)c(c6)C(=O)O[Na])c(O)c13)S(=O)(=O)O[Na])S(=O)(=O)O[Na],Nc1c(N=Nc2ccc(cc2)N(=O)=O)c(cc3cc(c(N=Nc4ccc(cc4)c5ccc(cc5)N=Nc6ccc(O)c(c6)C(=O)O[Na])c(O)c13)S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C35H24N8O12S2.3Na/c36-31-30-20(15-28(56(50,51)52)32(31)41-38-23-9-12-25(13-10-23)43(48)49)16-29(57(53,54)55)33(34(30)45)42-39-22-7-3-19(4-8-22)18-1-5-21(6-2-18)37-40-24-11-14-27(44)26(17-24)35(46)47;;;/h1-17,44-45H,36H2,(H,46,47)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/rC35H22N8Na2O12S2.Na/c36-31-30-20(15-28(58(52,53)56-44)32(31)41-38-23-9-12-25(13-10-23)43(50)51)16-29(59(54,55)57-45)33(34(30)47)42-39-22-7-3-19(4-8-22)18-1-5-21(6-2-18)37-40-24-11-14-27(46)26(17-24)35(48)49;/h1-17,46-47H,36H2,(H,48,49);/q;+1/p-1",C35H24N8O12S2.3Na,,,,,,DBDVUUCUDYNZHB-UHFFFAOYSA-K,,,,,,,,,,,
100.024.134,226-547-7,5422-72-0,"N-(2-hydroxy-3,5-dinitrophenyl)acetamide","N-(2-hydroxy-3,5-dinitrophenyl)acetamide",CC(=O)Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],CC(=O)Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H7N3O6/c1-4(12)9-6-2-5(10(14)15)3-7(8(6)13)11(16)17/h2-3,13H,1H3,(H,9,12)",C8H7N3O6,,,,,,RMWYWQJCJOEMTR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.114,228-726-5,6337-43-5,"Tetraethyl 2,2'-(1,4-phenylenedimethylidyne)bismalonate","tetraethyl 2,2'-(1,4-phenylenedimethylylidene)dimalonate",CCOC(=O)C(=Cc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1)C(=O)OCC,CCOC(=O)C(=Cc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1)C(=O)OCC,"InChI=1/C22H26O8/c1-5-27-19(23)17(20(24)28-6-2)13-15-9-11-16(12-10-15)14-18(21(25)29-7-3)22(26)30-8-4/h9-14H,5-8H2,1-4H3",C22H26O8,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17460,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.114,YUOKTNQLLUHUEK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.119,228-731-2,6339-26-0,4-[(4-methylphenyl)sulphonyl]morpholine,4-[(4-methylphenyl)sulfonyl]morpholine,Cc1ccc(cc1)S(=O)(=O)N2CCOCC2,Cc1ccc(cc1)S(=O)(=O)N2CCOCC2,"InChI=1/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3",C11H15NO3S,,,,,,NBTTYMBZXDHFCP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.471,208-216-9,516-02-9,Barium oxalate,barium oxalate,[Ba+2].[O-]C(=O)C(=O)[O-],[Ba+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Ba/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Ba,,,,,,GXUARMXARIJAFV-UHFFFAOYSA-L,,,,,,,,,,,
100.007.473,208-219-5,516-05-2,Methylmalonic acid,methylmalonic acid,CC(C(=O)O)C(=O)O,CC(C(=O)O)C(=O)O,"InChI=1/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)",C4H6O4,,,,,,ZIYVHBGGAOATLY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.478,208-224-2,516-55-2,3-ß-hydroxy-5-a-pregnan-20-one,3-hydroxypregnan-20-one,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3",C21H34O2,,,,,,AURFZBICLPNKBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.484,208-231-0,517-16-8,N-(ethylmercurio)toluene-4-sulphonanilide,ethyl(4-methyl-N-phenylbenzenesulfonamidato-kappaN)mercury,CC[Hg]N(c1ccccc1)S(=O)(=O)c2ccc(C)cc2,CC[Hg]N(c1ccccc1)S(=O)(=O)c2ccc(C)cc2,"InChI=1/C13H12NO2S.C2H5.Hg/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2;/h2-10H,1H3;1H2,2H3;/q-1;;+1/rC15H17HgNO2S/c1-3-16-17(14-7-5-4-6-8-14)20(18,19)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3",C15H17HgNO2S,,,,,,XAGAASDWSFGQEC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.485,208-232-6,517-18-0,Methallenestril,"3-(6-methoxy-2-naphthyl)-2,2-dimethylpentanoic acid",CCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O,CCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O,"InChI=1/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)",C18H22O3,,,,,,KHLJKRBMZVNZOC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.486,208-233-1,517-21-5,"Disodium 1,2-dihydroxyethane-1,2-disulphonate","disodium 1,2-dihydroxyethane-1,2-disulfonate",[Na+].[Na+].OC(C(O)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].OC(C(O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C2H6O8S2.2Na/c3-1(11(5,6)7)2(4)12(8,9)10;;/h1-4H,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2",C2H6O8S2.2Na,,,,,,BXUKAXFDABMVND-UHFFFAOYSA-L,,,,,,,,,,,
100.007.496,208-244-1,517-73-7,"1,2,3,4-tetramethoxy-10-methylacridin-9(10H)-one","1,2,3,4-tetramethoxy-10-methylacridin-9(10H)-one",COc1c(OC)c(OC)c2C(=O)c3ccccc3N(C)c2c1OC,COc1c(OC)c(OC)c2C(=O)c3ccccc3N(C)c2c1OC,"InChI=1/C18H19NO5/c1-19-11-9-7-6-8-10(11)14(20)12-13(19)16(22-3)18(24-5)17(23-4)15(12)21-2/h6-9H,1-5H3",C18H19NO5,,,,,,URPVDDXMEZAEJY-UHFFFAOYSA-N,,,,,,,,,,,
100.007.505,208-254-6,518-51-4,Phenolphthalein sodium,"disodium 2-[(4-oxidophenyl)(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate",[Na+].[Na+].[O-]C(=O)c1ccccc1C(=C2C=CC(=O)C=C2)c3ccc([O-])cc3,[Na+].[Na+].[O-]C(=O)c1ccccc1C(=C2C=CC(=O)C=C2)c3ccc([O-])cc3,"InChI=1/C20H14O4.2Na/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24;;/h1-12,21H,(H,23,24);;/q;2*+1/p-2",C20H14O4.2Na,,,,,,HAWFSFZXNWBZRU-UHFFFAOYSA-L,,,,,,,,,,,
100.007.506,208-255-1,518-63-8,Dimethoxanate hydrochloride,2-[2-(dimethylamino)ethoxy]ethyl 10H-phenothiazine-10-carboxylate hydrochloride,Cl.CN(C)CCOCCOC(=O)N1c2ccccc2Sc3ccccc13,Cl.CN(C)CCOCCOC(=O)N1c2ccccc2Sc3ccccc13,"InChI=1/C19H22N2O3S.ClH/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21;/h3-10H,11-14H2,1-2H3;1H",C19H22N2O3S.ClH,,,,,,ZJRHNNNACBPWEB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.509,208-258-8,518-82-1,"1,3,8-trihydroxy-6-methylanthraquinone","1,3,8-trihydroxy-6-methyl-9,10-anthraquinone",Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,"InChI=1/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",C15H10O5,,,,,,RHMXXJGYXNZAPX-UHFFFAOYSA-N,Negative,,,,,,ML003851,[M-H]-,HCD50,269.0456:268.0256,MetaboLights
100.007.512,208-261-4,519-05-1,"5,6-dimethoxyphthalaldehydic acid","6-formyl-2,3-dimethoxybenzoic acid",COc1ccc(C=O)c(C(=O)O)c1OC,COc1ccc(C=O)c(C(=O)O)c1OC,"InChI=1/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)",C10H10O5,,,,,,HVXXOIGTXJOVON-UHFFFAOYSA-N,,,,,,,,,,,
100.007.515,208-265-6,519-26-6,"Disodium 1,4-dihydro-3,5-diiodo-1-methyl-4-oxopyridine-2,6-dicarboxylate","disodium 3,5-diiodo-1-methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylate",[Na+].[Na+].CN1C(=C(I)C(=O)C(=C1C(=O)[O-])I)C(=O)[O-],[Na+].[Na+].CN1C(=C(I)C(=O)C(=C1C(=O)[O-])I)C(=O)[O-],"InChI=1/C8H5I2NO5.2Na/c1-11-4(7(13)14)2(9)6(12)3(10)5(11)8(15)16;;/h1H3,(H,13,14)(H,15,16);;/q;2*+1/p-2",C8H5I2NO5.2Na,,,,,,GMQNYSMZUWAAIN-UHFFFAOYSA-L,,,,,,,,,,,
100.007.518,208-268-2,519-34-6,"2,3',4,4',6-pentahydroxybenzophenone","(3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone",Oc1cc(O)c(C(=O)c2ccc(O)c(O)c2)c(O)c1,Oc1cc(O)c(C(=O)c2ccc(O)c(O)c2)c(O)c1,"InChI=1/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H",C13H10O6,,,,,,XNWPXDGRBWJIES-UHFFFAOYSA-N,,,,,,,,,,,
100.008.325,209-156-6,557-09-5,Zinc dioctanoate,zinc dioctanoate,[Zn+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Zn+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Zn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Zn,,,,,,CHJMFFKHPHCQIJ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.326,209-157-1,557-11-9,Allylurea,1-allylurea,NC(=O)NCC=C,NC(=O)NCC=C,"InChI=1/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)",C4H8N2O,,,,,,VPJDULFXCAQHRC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.328,209-159-2,557-18-6,Diethylmagnesium,diethylmagnesium,CC[Mg]CC,CC[Mg]CC,"InChI=1/2C2H5.Mg/c2*1-2;/h2*1H2,2H3;/rC4H10Mg/c1-3-5-4-2/h3-4H2,1-2H3",C4H10Mg,,,,,,HKACPERQNQAGFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.930,208-721-4,539-64-0,"N,N-dimethylaminoacetohydrazide monohydrochloride",2-(dimethylamino)acetohydrazide hydrochloride (non-preferred name),Cl.CN(C)CC(=O)NN,Cl.CN(C)CC(=O)NN,"InChI=1/C4H11N3O.ClH/c1-7(2)3-4(8)6-5;/h3,5H2,1-2H3,(H,6,8);1H",C4H11N3O.ClH,,,,,,OBXBQDQBTXIDCA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.934,208-726-1,539-82-2,Ethyl valerate,ethyl valerate,CCCCC(=O)OCC,CCCCC(=O)OCC,"InChI=1/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3",C7H14O2,,,,,,ICMAFTSLXCXHRK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.936,208-728-2,539-88-8,Ethyl 4-oxovalerate,ethyl 4-oxopentanoate,CCOC(=O)CCC(=O)C,CCOC(=O)CCC(=O)C,"InChI=1/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3",C7H12O3,,,,,,GMEONFUTDYJSNV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.940,208-732-4,540-07-8,Pentyl hexanoate,pentyl hexanoate,CCCCCOC(=O)CCCCC,CCCCCOC(=O)CCCCC,"InChI=1/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3",C11H22O2,,,,,,WRFZKAGPPQGDDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.945,208-738-7,540-16-9,Copper dibutyrate,copper(2+) dibutanoate,[Cu+2].O=C([O-])CCC.[O-]C(=O)CCC,[Cu+2].O=C([O-])CCC.[O-]C(=O)CCC,"InChI=1/2C4H8O2.Cu/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2",C4H8O2.1/2Cu,,,,,,PUHAKHQMSBQAKT-UHFFFAOYSA-L,,,,,,,,,,,
100.007.960,208-754-4,540-72-7,Sodium thiocyanate,sodium thiocyanate,[Na+].[S-]C#N,[Na+].[S-]C#N,InChI=1/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1,CHNS.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14109,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.960,VGTPCRGMBIAPIM-UHFFFAOYSA-M,,,,,,,,,,,
100.007.963,208-758-6,540-82-9,Ethyl hydrogen sulphate,ethyl hydrogen sulfate,CCOS(=O)(=O)O,CCOS(=O)(=O)O,"InChI=1/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)",C2H6O4S,,,,,,KIWBPDUYBMNFTB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.965,208-760-7,540-88-5,tert-butyl acetate,tert-butyl acetate,CC(=O)OC(C)(C)C,CC(=O)OC(C)(C)C,"InChI=1/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3",C6H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10192,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.965,WMOVHXAZOJBABW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.889,209-776-7,592-89-2,Strontium diformate,strontium diformate,[Sr+2].[O-]C=O.[O-]C=O,[Sr+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Sr/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Sr,,,,,,FXWRHZACHXRMCI-UHFFFAOYSA-L,,,,,,,,,,,
100.008.892,209-779-3,592-98-3,Oct-3-ene,oct-3-ene,CCC=CCCCC,CCC=CCCCC,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3",C8H16,,,,,,YCTDZYMMFQCTEO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.908,209-797-1,593-55-5,Ethylammonium bromide,ethanaminium bromide,[Br-].CC[NH3+],[Br-].CC[NH3+],"InChI=1/C2H7N.BrH/c1-2-3;/h2-3H2,1H3;1H",C2H7N.BrH,,,,,,PNZDZRMOBIIQTC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.911,209-800-6,593-60-2,Bromoethylene,bromoethene,BrC=C,BrC=C,"InChI=1/C2H3Br/c1-2-3/h2H,1H2",C2H3Br,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7157,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.911,INLLPKCGLOXCIV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.913,209-802-7,593-67-9,Vinylamine,ethenamine,NC=C,NC=C,"InChI=1/C2H5N/c1-2-3/h2H,1,3H2",C2H5N,,,,,,UYMKPFRHYYNDTL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.914,209-803-2,593-70-4,Chlorofluoromethane,chloro(fluoro)methane,FCCl,FCCl,InChI=1/CH2ClF/c2-1-3/h1H2,CH2ClF,,,,,,XWCDCDSDNJVCLO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.916,209-805-3,593-74-8,Dimethylmercury,dimethylmercury,C[Hg]C,C[Hg]C,InChI=1/2CH3.Hg/h2*1H3;/rC2H6Hg/c1-3-2/h1-2H3,C2H6Hg,,,,,,ATZBPOVXVPIOMR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.917,209-806-9,593-75-9,Isocyanomethane,isocyanomethane,C[N+]#[C-],C[N+]#[C-],InChI=1/C2H3N/c1-3-2/h1H3,C2H3N,,,,,,ZRKSVHFXTRFQFL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.933,209-824-7,594-10-5,Trimethylstibine,trimethylstibine,C[Sb](C)C,C[Sb](C)C,InChI=1/3CH3.Sb/h3*1H3;/rC3H9Sb/c1-4(2)3/h1-3H3,C3H9Sb,,,,,,PORFVJURJXKREL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.938,209-829-4,594-18-3,Dibromodichloromethane,dibromo(dichloro)methane,ClC(Cl)(Br)Br,ClC(Cl)(Br)Br,"InChI=1/CBr2Cl2/c2-1(3,4)5",CBr2Cl2,,,,,,IHUREIPXVFKEDT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.940,209-832-0,594-20-7,"2,2-dichloropropane","2,2-dichloropropane",CC(C)(Cl)Cl,CC(C)(Cl)Cl,"InChI=1/C3H6Cl2/c1-3(2,4)5/h1-2H3",C3H6Cl2,,,,,,ZEOVXNVKXIPWMS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.941,209-833-6,594-27-4,Tetramethyltin,tetramethylstannane,C[Sn](C)(C)C,C[Sn](C)(C)C,"InChI=1/4CH3.Sn/h4*1H3;/rC4H12Sn/c1-5(2,3)4/h1-4H3",C4H12Sn,,,,,,VXKWYPOMXBVZSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.945,209-837-8,594-37-6,"1,2-dichloro-2-methylpropane","1,2-dichloro-2-methylpropane",CC(C)(Cl)CCl,CC(C)(Cl)CCl,"InChI=1/C4H8Cl2/c1-4(2,6)3-5/h3H2,1-2H3",C4H8Cl2,,,,,,OQPNDCHKFIHPBY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.259,206-884-6,393-11-3,4-nitro-3-(trifluoromethyl)aniline,4-nitro-3-(trifluoromethyl)aniline,Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],"InChI=1/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2",C7H5F3N2O2,,,,,,UTKUVRNVYFTEHF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.417,226-858-8,5513-72-4,4-benzyl hydrogen N-formyl-L-aspartate,4-(benzyloxy)-2-formamido-4-oxobutanoic acid (non-preferred name),OC(=O)[C@H](CC(=O)OCc1ccccc1)NC=O,OC(=O)[C@H](CC(=O)OCc1ccccc1)NC=O,"InChI=1/C12H13NO5/c14-8-13-10(12(16)17)6-11(15)18-7-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,14)(H,16,17)",C12H13NO5,,,,,,ZPCUHIBUEFGPCP-JTQLQIEISA-N,,,,,,,,,,,
100.024.418,226-859-3,5515-83-3,Ethyl 3-(diethylamino)propionate,"ethyl N,N-diethyl-beta-alaninate",CCOC(=O)CCN(CC)CC,CCOC(=O)CCN(CC)CC,"InChI=1/C9H19NO2/c1-4-10(5-2)8-7-9(11)12-6-3/h4-8H2,1-3H3",C9H19NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12805,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.418,QDISKADULUYVBM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.422,226-864-0,5518-18-3,"N,N'-ethane-1,2-diylbishexadecan-1-amide","N,N'-ethane-1,2-diyldihexadecanamide",CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC,"InChI=1/C34H68N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)35-31-32-36-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,35,37)(H,36,38)",C34H68N2O2,,,,,,UAXZKOFYXXDTFH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.425,226-867-7,5521-60-8,"5-methylpyrazine-2,3-dicarboxylic acid","5-methylpyrazine-2,3-dicarboxylic acid",Cc1cnc(C(=O)O)c(n1)C(=O)O,Cc1cnc(C(=O)O)c(n1)C(=O)O,"InChI=1/C7H6N2O4/c1-3-2-8-4(6(10)11)5(9-3)7(12)13/h2H,1H3,(H,10,11)(H,12,13)",C7H6N2O4,,,,,,ZSVGGGCOTVOOSG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.427,226-869-8,5522-63-4,"Tetramethyl 3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropionate","tetramethyl 3,3',3'',3'''-(3,8,13,17-tetramethylporphine-2,7,12,18-tetrayl)tetrapropanoate",COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)CCC(=O)OC)C(=C4C)CCC(=O)OC)C(=C3C)CCC(=O)OC,COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)CCC(=O)OC)C(=C4C)CCC(=O)OC)C(=C3C)CCC(=O)OC,"InChI=1/C40H44N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h17-20H,9-16H2,1-8H3",C40H46N4O8,,,,,,MALUNCJGLMPHMU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.430,226-872-4,5524-05-0,(2R-trans)-2-methyl-5-(1-methylvinyl)cyclohexan-1-one,5-isopropenyl-2-methylcyclohexanone,C[C@@H]1CC[C@H](CC1=O)C(=C)C,C[C@@H]1CC[C@H](CC1=O)C(=C)C,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3",C10H16O,,,,,,AZOCECCLWFDTAP-RKDXNWHRSA-N,,,,,,,,,,,
100.024.435,226-878-7,5530-30-3,"4-butyl-2,6-di-tert-butylphenol","4-butyl-2,6-di-tert-butylphenol",CCCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H30O/c1-8-9-10-13-11-14(17(2,3)4)16(19)15(12-13)18(5,6)7/h11-12,19H,8-10H2,1-7H3",C18H30O,,,,,,WTWGHNZAQVTLSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.027,230-830-0,7330-46-3,"5,5'-methylenedianthranilic acid","3,3'-methylenebis(6-aminobenzoic acid)",Nc1ccc(Cc2ccc(N)c(c2)C(=O)O)cc1C(=O)O,Nc1ccc(Cc2ccc(N)c(c2)C(=O)O)cc1C(=O)O,"InChI=1/C15H14N2O4/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7H,5,16-17H2,(H,18,19)(H,20,21)",C15H14N2O4,,,,,,QRUWUSOUUMPANJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.028,230-831-6,7332-16-3,Myo-inositol hexanitrate,"cyclohexane-1,2,3,4,5,6-hexayl hexanitrate",[O-][N+](=O)O[C@@H]1[C@@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@H]1O[N+](=O)[O-],[O-][N+](=O)O[C@@H]1[C@@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@H]1O[N+](=O)[O-],InChI=1/C6H6N6O18/c13-7(14)25-1-2(26-8(15)16)4(28-10(19)20)6(30-12(23)24)5(29-11(21)22)3(1)27-9(17)18/h1-6H,C6H6N6O18,,,,,,VAASRZPDHFMMMC-GPIVLXJGSA-N,,,,,,,,,,,
100.028.031,230-834-2,7333-51-9,Cyclohexyltriphenylphosphonium bromide,cyclohexyl(triphenyl)phosphonium bromide,[Br-].C1CCC(CC1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].C1CCC(CC1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H26P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1",C24H26P.Br,,,,,,QRAKRDZMIONMRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.034,230-837-9,7334-33-0,"2,2'-dichloroazobenzene",bis(2-chlorophenyl)diazene,Clc1ccccc1N=Nc2ccccc2Cl,Clc1ccccc1N=Nc2ccccc2Cl,InChI=1/C12H8Cl2N2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,C12H8Cl2N2,,,,,,FIQUJBRQBIUISO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.039,230-843-1,7335-26-4,Ethyl o-anisate,ethyl 2-methoxybenzoate,CCOC(=O)c1ccccc1OC,CCOC(=O)c1ccccc1OC,"InChI=1/C10H12O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3",C10H12O3,,,,,,FNODWEPAWIJGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.041,230-845-2,7335-65-1,Hydrazinium acetate,diazanium acetate,CC(=O)[O-].N[NH3+],CC(=O)[O-].N[NH3+],"InChI=1/C2H4O2.H4N2/c1-2(3)4;1-2/h1H3,(H,3,4);1-2H2",C2H4O2.H4N2,,,,,,YFHNDHXQDJQEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.048,230-853-6,7338-27-4,4-methyl hydrogen 2-methylenesuccinate,4-methoxy-2-methylene-4-oxobutanoic acid,COC(=O)CC(=C)C(=O)O,COC(=O)CC(=C)C(=O)O,"InChI=1/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9)",C6H8O4,,,,,,OIYTYGOUZOARSH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.053,230-858-3,7342-34-9,"Sodium 5-chloro-2,3-dihydro-2-thioxobenzoxazole-7-sulphonate","sodium 5-chloro-2-thioxo-2,3-dihydro-1,3-benzoxazole-7-sulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)cc2NC(=S)Oc12,[Na+].[O-]S(=O)(=O)c1cc(Cl)cc2NC(=S)Oc12,"InChI=1/C7H4ClNO4S2.Na/c8-3-1-4-6(13-7(14)9-4)5(2-3)15(10,11)12;/h1-2H,(H,9,14)(H,10,11,12);/q;+1/p-1",C7H4ClNO4S2.Na,,,,,,CMOUNLVSRHFQEG-UHFFFAOYSA-M,,,,,,,,,,,
100.026.120,228-732-8,6340-79-0,3-(4-bromobenzoyl)propionic acid,4-(4-bromophenyl)-4-oxobutanoic acid,OC(=O)CCC(=O)c1ccc(Br)cc1,OC(=O)CCC(=O)c1ccc(Br)cc1,"InChI=1/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)",C10H9BrO3,,,,,,ZODFRCZNTXLDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.122,228-734-9,6341-28-2,"Disodium 7-[(4-amino-5-methoxy-o-tolyl)azo]naphthalene-1,3-disulphonate","disodium 7-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonate",[Na+].[Na+].Nc1cc(C)c(cc1OC)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Nc1cc(C)c(cc1OC)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C18H17N3O7S2.2Na/c1-10-5-15(19)17(28-2)9-16(10)21-20-12-4-3-11-6-13(29(22,23)24)8-18(14(11)7-12)30(25,26)27;;/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H17N3O7S2.2Na,,,,,,DUBWIMUZGAMHSB-UHFFFAOYSA-L,,,,,,,,,,,
100.026.123,228-735-4,6342-56-9,"1,1-dimethoxyacetone","1,1-dimethoxyacetone",COC(OC)C(=O)C,COC(OC)C(=O)C,"InChI=1/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3",C5H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16767,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.123,ULVSHNOGEVXRDR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.753,230-527-3,7173-60-6,"N-hexadecylpropane-1,3-diamine","N-hexadecylpropane-1,3-diamine",CCCCCCCCCCCCCCCCNCCCN,CCCCCCCCCCCCCCCCNCCCN,"InChI=1/C19H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h21H,2-20H2,1H3",C19H42N2,,,,,,UKNVXIMLHBKVAE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.755,230-529-4,7173-64-0,"(Z)-N-(3-aminopropyl)-N-9-octadecenylpropane-1,3-diamine","N-(3-aminopropyl)-N-octadec-9-en-1-ylpropane-1,3-diamine",CCCCCCCCC=CCCCCCCCCN(CCCN)CCCN,CCCCCCCCC=CCCCCCCCCN(CCCN)CCCN,"InChI=1/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(23-18-20-25)24-19-21-26/h9-10H,2-8,11-26H2,1H3",C24H51N3,,,,,,KSWPRMYMOCDMFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.761,230-536-2,7176-19-4,"Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate","tris(oxiran-2-ylmethyl) benzene-1,3,5-tricarboxylate",O=C(OCC1CO1)c2cc(cc(c2)C(=O)OCC3CO3)C(=O)OCC4CO4,O=C(OCC1CO1)c2cc(cc(c2)C(=O)OCC3CO3)C(=O)OCC4CO4,"InChI=1/C18H18O9/c19-16(25-7-13-4-22-13)10-1-11(17(20)26-8-14-5-23-14)3-12(2-10)18(21)27-9-15-6-24-15/h1-3,13-15H,4-9H2",C18H18O9,,,,,,UNTJEZNVLMAXQI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.767,230-543-0,7179-86-4,N-ethyltetrahydrofurfurylamine,N-(tetrahydrofuran-2-ylmethyl)ethanamine,CCNCC1CCCO1,CCNCC1CCCO1,"InChI=1/C7H15NO/c1-2-8-6-7-4-3-5-9-7/h7-8H,2-6H2,1H3",C7H15NO,,,,,,HLSDMLXXPIEJFI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.769,230-545-1,7179-95-5,"Tetrahydro-N,2-dimethyl-2-furfurylamine",N-methyl-1-(2-methyltetrahydrofuran-2-yl)methanamine,CNCC1(C)CCCO1,CNCC1(C)CCCO1,"InChI=1/C7H15NO/c1-7(6-8-2)4-3-5-9-7/h8H,3-6H2,1-2H3",C7H15NO,,,,,,CWQAYJVEMMQWGM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.775,230-551-4,7188-16-1,Ammonium phenyl acetate,-,[NH4+].CC(=O)Oc1ccccc1,[NH4+].CC(=O)Oc1ccccc1,"InChI=1/C8H8O2.H3N/c1-7(9)10-8-5-3-2-4-6-8;/h2-6H,1H3;1H3/p+1",C8H8O2.H3N,,,,,,OPKXCHIJHFOLCT-UHFFFAOYSA-O,,,,,,,,,,,
100.029.246,232-170-9,7789-48-2,Magnesium bromide,magnesium dibromide,[Mg+2].[Br-].[Br-],[Mg+2].[Br-].[Br-],InChI=1/2BrH.Mg/h2*1H;/q;;+2/p-2,Br2Mg,,,,,,OTCKOJUMXQWKQG-UHFFFAOYSA-L,,,,,,,,,,,
100.029.247,232-171-4,7789-51-7,Seleninyl bromide,selenous dibromide,Br[Se](=O)Br,Br[Se](=O)Br,InChI=1/Br2OSe/c1-4(2)3,Br2OSe,,,,,,ZWTYAOCEBBZVQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.502,226-951-3,5576-62-5,1-[2-[(2-chlorophenyl)phenylmethoxy]ethyl]-4-[(o-tolyl)methyl]piperazine dihydrochloride,1-{2-[(2-chlorophenyl)(phenyl)methoxy]ethyl}-4-(2-methylbenzyl)piperazine dihydrochloride,Cl.Cl.Cc1ccccc1CN2CCN(CCOC(c3ccccc3)c4ccccc4Cl)CC2,Cl.Cl.Cc1ccccc1CN2CCN(CCOC(c3ccccc3)c4ccccc4Cl)CC2,"InChI=1/C27H31ClN2O.2ClH/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28;;/h2-14,27H,15-21H2,1H3;2*1H",C27H31ClN2O.2ClH,,,,,,ZTACEXAAXMFRGD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.507,226-957-6,5578-43-8,Ammonium trihydrogen (1-hydroxyethylidene)bisphosphonate,"ammonium trihydrogen (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[NH4+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[NH4+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.H3N/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);1H3/p-3",C2H8O7P2.H3N,,,,,,TYKSXSWIOYAJIN-UHFFFAOYSA-K,,,,,,,,,,,
100.024.516,226-967-0,5579-85-1,Bromchlorenone,"6-bromo-5-chloro-1,3-benzoxazol-2(3H)-one",Clc1cc2NC(=O)Oc2cc1Br,Clc1cc2NC(=O)Oc2cc1Br,"InChI=1/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)",C7H3BrClNO2,,,,,,KVAWWXSLBDVXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.525,226-977-5,5581-52-2,Tiamiprine,6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purin-2-amine,Cn1cnc(c1Sc2[nH]c(N)nc3ncnc23)N(=O)=O,Cn1cnc(c1Sc2[nH]c(N)nc3ncnc23)N(=O)=O,"InChI=1/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)",C9H8N8O2S,,,,,,YFTWHEBLORWGNI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.527,226-979-6,5581-67-9,Methyltris(1-methylethoxy)silane,triisopropoxy(methyl)silane,CC(C)O[Si](C)(OC(C)C)OC(C)C,CC(C)O[Si](C)(OC(C)C)OC(C)C,"InChI=1/C10H24O3Si/c1-8(2)11-14(7,12-9(3)4)13-10(5)6/h8-10H,1-7H3",C10H24O3Si,,,,,,HLXDKGBELJJMHR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.329,209-160-8,557-19-7,Nickel dicyanide,nickel(2+) dicyanide,[Ni+2].[C-]#N.[C-]#N,[Ni+2].[C-]#N.[C-]#N,InChI=1/2CN.Ni/c2*1-2;/q2*-1;+2,C2N2Ni,,,,,,NLEUXPOVZGDKJI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.332,209-163-4,557-24-4,Maleamic acid,4-amino-4-oxobut-2-enoic acid,NC(=O)\\C=C/C(=O)O,NC(=O)\C=C/C(=O)O,"InChI=1/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)",C4H5NO3,,,,,,FSQQTNAZHBEJLS-UPHRSURJSA-N,,,,,,,,,,,
100.008.339,209-171-8,557-35-7,2-bromooctane,2-bromooctane,CCCCCCC(C)Br,CCCCCCC(C)Br,"InChI=1/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3",C8H17Br,,,,,,FTJHYGJLHCGQHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.341,209-173-9,557-39-1,Magnesium diformate,magnesium diformate,[Mg+2].[O-]C=O.[O-]C=O,[Mg+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Mg/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Mg,,,,,,GMDNUWQNDQDBNQ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.349,209-182-8,557-66-4,Ethylammonium chloride,ethanaminium chloride,[Cl-].CC[NH3+],[Cl-].CC[NH3+],"InChI=1/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H",C2H7N.ClH,,,,,,XWBDWHCCBGMXKG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.353,209-187-5,557-98-2,2-chloropropene,2-chloroprop-1-ene,CC(=C)Cl,CC(=C)Cl,"InChI=1/C3H5Cl/c1-3(2)4/h1H2,2H3",C3H5Cl,,,,,,PNLQPWWBHXMFCA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.355,209-189-6,558-13-4,Carbon tetrabromide,tetrabromomethane,BrC(Br)(Br)Br,BrC(Br)(Br)Br,"InChI=1/CBr4/c2-1(3,4)5",CBr4,,,,,,HJUGFYREWKUQJT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.357,209-191-7,558-20-3,(2H4)methane,methane,C,C,InChI=1/CH4/h1H4,CD4,,,,,,VNWKTOKETHGBQD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.359,209-193-8,558-30-5,"2,2-dimethyloxirane","2,2-dimethyloxirane",CC1(C)CO1,CC1(C)CO1,"InChI=1/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3",C4H8O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11246,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.359,GELKGHVAFRCJNA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.365,209-200-4,559-11-5,"2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl acrylate","2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C10H5F13O2/c1-2-4(24)25-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3H2",C10H5F13O2,,,,,,XJAVADKMAMZXPW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.367,209-203-0,559-40-0,Perfluorocyclopentene,octafluorocyclopentene,FC1=C(F)C(F)(F)C(F)(F)C1(F)F,FC1=C(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C5F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9",C5F8,,,,,,YBMDPYAEZDJWNY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.368,209-204-6,559-70-6,Olean-12-en-3ß-ol,olean-12-en-3-ol,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1,CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1,"InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3",C30H50O,,,,,,JFSHUTJDVKUMTJ-QHPUVITPSA-N,,,,,,,,,,,
100.008.370,209-206-7,560-05-4,cis-(±)-camphoric acid,camphoric acid,CC1(C)C(CCC1(C)C(=O)O)C(=O)O,CC1(C)C(CCC1(C)C(=O)O)C(=O)O,"InChI=1/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",C10H16O4,,,,,,LSPHULWDVZXLIL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.371,209-207-2,560-21-4,"2,3,3-trimethylpentane","2,3,3-trimethylpentane",CCC(C)(C)C(C)C,CCC(C)(C)C(C)C,"InChI=1/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3",C8H18,,,,,,OKVWYBALHQFVFP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.684,207-351-0,464-42-6,"Endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine","1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine",CC1(C)[C@H]2CC[C@]1(C)[C@H](N)C2,CC1(C)[C@H]2CC[C@]1(C)[C@H](N)C2,"InChI=1/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3",C10H19N,,,,,,MDFWXZBEVCOVIO-QXFUBDJGSA-N,,,,,,,,,,,
100.006.696,207-364-1,465-42-9,"(3R,3'S,5'R)-3,3'-dihydroxy-ß,<U+03BA>-caroten-6'-one","3,3'-dihydroxy-beta,kappa-caroten-6'-one",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=CC(=O)[C@]1(C)C[C@@H](O)CC1(C)C)\\C=C\\C=C(/C)\\C=C\\C2=C(C)C[C@@H](O)CC2(C)C,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC(=O)[C@]1(C)C[C@@H](O)CC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@@H](O)CC2(C)C,"InChI=1/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3",C40H56O3,,,,,,VYIRVAXUEZSDNC-RWAKOVLHSA-N,,,,,,,,,,,
100.006.698,207-366-2,465-73-6,"(1a,4a,4aß,5ß,8ß8aß)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene","1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene",ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl,"InChI=1/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2",C12H8Cl6,,,,,,QBYJBZPUGVGKQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.261,206-886-7,393-39-5,"a,a,a,4-tetrafluoro-o-toluidine",4-fluoro-2-(trifluoromethyl)aniline,Nc1ccc(F)cc1C(F)(F)F,Nc1ccc(F)cc1C(F)(F)F,"InChI=1/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",C7H5F4N,,,,,,LRCQLCWUUBSUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.266,206-891-4,394-25-2,2-nitro-4-trifluoromethylanisole,1-methoxy-2-nitro-4-(trifluoromethyl)benzene,COc1ccc(cc1[N+](=O)[O-])C(F)(F)F,COc1ccc(cc1[N+](=O)[O-])C(F)(F)F,"InChI=1/C8H6F3NO3/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3",C8H6F3NO3,,,,,,MAAFHLOZHBKYTG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.269,206-895-6,394-41-2,3-fluoro-4-nitrophenol,3-fluoro-4-nitrophenol,Oc1ccc(c(F)c1)[N+](=O)[O-],Oc1ccc(c(F)c1)[N+](=O)[O-],"InChI=1/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H",C6H4FNO3,,,,,,CSSGKHVRDGATJL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.270,206-896-1,394-46-7,o-fluorostyrene,1-fluoro-2-vinylbenzene,Fc1ccccc1C=C,Fc1ccccc1C=C,"InChI=1/C8H7F/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2",C8H7F,,,,,,YNQXOOPPJWSXMW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.279,206-905-9,396-64-5,"3,3'-difluoro-1,1'-biphenyl","3,3'-difluorobiphenyl",Fc1cccc(c1)c2cccc(F)c2,Fc1cccc(c1)c2cccc(F)c2,InChI=1/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,C12H8F2,,,,,,GAYJHUJLHJWCTH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.289,206-916-9,399-31-5,N-(2-fluorophenyl)acetamide,N-(2-fluorophenyl)acetamide,CC(=O)Nc1ccccc1F,CC(=O)Nc1ccccc1F,"InChI=1/C8H8FNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)",C8H8FNO,,,,,,AUZPZBPZWHEIDY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.290,206-917-4,399-52-0,5-fluoro-1H-indole,5-fluoro-1H-indole,Fc1ccc2[nH]ccc2c1,Fc1ccc2[nH]ccc2c1,"InChI=1/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H",C8H6FN,,,,,,ODFFPRGJZRXNHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.294,206-922-1,400-38-4,Isopropyl trifluoroacetate,isopropyl trifluoroacetate,CC(C)OC(=O)C(F)(F)F,CC(C)OC(=O)C(F)(F)F,"InChI=1/C5H7F3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3",C5H7F3O2,,,,,,ASAXRKSDVDALDT-UHFFFAOYSA-N,,,,,,,,,,,
100.006.300,206-928-4,401-55-8,Ethyl bromofluoroacetate,ethyl bromo(fluoro)acetate,CCOC(=O)C(F)Br,CCOC(=O)C(F)Br,"InChI=1/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",C4H6BrFO2,,,,,,ULNDTPIRBQGESN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.304,206-933-1,401-80-9,"a,a,a,3-tetrafluorotoluene",1-fluoro-3-(trifluoromethyl)benzene,Fc1cccc(c1)C(F)(F)F,Fc1cccc(c1)C(F)(F)F,"InChI=1/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H",C7H4F4,,,,,,GBOWGKOVMBDPJF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.309,206-938-9,402-23-3,1-(bromomethyl)-3-(trifluoromethyl)benzene,1-(bromomethyl)-3-(trifluoromethyl)benzene,FC(F)(F)c1cccc(CBr)c1,FC(F)(F)c1cccc(CBr)c1,"InChI=1/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2",C8H6BrF3,,,,,,MYYYZNVAUZVXBO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.678,210-644-6,620-61-1,Hyoscyamine sulphate,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate sulfate (salt),CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3.OS(=O)(=O)O,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3.OS(=O)(=O)O,"InChI=1/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)",C17H23NO3.1/2H2O4S,,,,,,VJFQPODMEGSXHC-PGQIENJJSA-N,,,,,,,,,,,
100.009.679,210-645-1,620-63-3,Glycerol triisovalerate,"propane-1,2,3-triyl tris(3-methylbutanoate)",CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C,CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C,"InChI=1/C18H32O6/c1-12(2)7-16(19)22-10-15(24-18(21)9-14(5)6)11-23-17(20)8-13(3)4/h12-15H,7-11H2,1-6H3",C18H32O6,,,,,,HZGMZSCMYSGJTL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.686,210-653-5,620-81-5,"N,N'-diphenyloxamide","N,N'-diphenylethanediamide",O=C(Nc1ccccc1)C(=O)Nc2ccccc2,O=C(Nc1ccccc1)C(=O)Nc2ccccc2,"InChI=1/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)",C14H12N2O2,,,,,,FTWUXYZHDFCGSV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.688,210-655-6,620-84-8,N-phenyl-p-toluidine,4-methyl-N-phenylaniline,Cc1ccc(Nc2ccccc2)cc1,Cc1ccc(Nc2ccccc2)cc1,"InChI=1/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3",C13H13N,,,,,,AGHYMXKKEXDUTA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.689,210-656-1,620-88-2,4-nitrophenyl phenyl ether,1-nitro-4-phenoxybenzene,[O-][N+](=O)c1ccc(Oc2ccccc2)cc1,[O-][N+](=O)c1ccc(Oc2ccccc2)cc1,InChI=1/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,C12H9NO3,,,,,,JDTMUJBWSGNMGR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.690,210-657-7,620-90-6,"4,4'-oxydibenzamidine bis(2-hydroxyethanesulphonate)","2-hydroxyethanesulfonic acid - 4,4'-oxydibenzenecarboximidamide (2:1)",NC(=N)c1ccc(Oc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O,NC(=N)c1ccc(Oc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O,"InChI=1/C14H14N4O.2C2H6O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;2*3-1-2-7(4,5)6/h1-8H,(H3,15,16)(H3,17,18);2*3H,1-2H2,(H,4,5,6)",C14H14N4O.2C2H6O4S,,,,,,LQQSAQZTFJQBMW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.693,210-660-3,620-94-0,Di-p-tolyl sulphide,"1,1'-sulfanediylbis(4-methylbenzene)",Cc1ccc(Sc2ccc(C)cc2)cc1,Cc1ccc(Sc2ccc(C)cc2)cc1,"InChI=1/C14H14S/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14S,,,,,,NRXWFTYEJYEOGW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.054,230-859-9,7342-38-3,Triisobutyltin chloride,triisobutylstannanylium chloride,[Cl-].CC(C)C[Sn+](CC(C)C)CC(C)C,[Cl-].CC(C)C[Sn+](CC(C)C)CC(C)C,"InChI=1/3C4H9.ClH.Sn/c3*1-4(2)3;;/h3*4H,1H2,2-3H3;1H;/q;;;;+1/p-1/rC12H27Sn.ClH/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;1H/q+1;/p-1",C12H27ClSn,,,,,,NHSGFFFVCFHOBS-UHFFFAOYSA-M,,,,,,,,,,,
100.028.056,230-862-5,7343-51-3,"2-[(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol","2-[(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol",OCCNC(CO)(CO)CO,OCCNC(CO)(CO)CO,"InChI=1/C6H15NO4/c8-2-1-7-6(3-9,4-10)5-11/h7-11H,1-5H2",C6H15NO4,,,,,,OTWJRAWXTDGSDT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.057,230-863-0,7344-34-5,4-methyl-1H-indene,4-methyl-1H-indene,Cc1cccc2CC=Cc12,Cc1cccc2CC=Cc12,"InChI=1/C10H10/c1-8-4-2-5-9-6-3-7-10(8)9/h2-5,7H,6H2,1H3",C10H10,,,,,,IRAWLGHJHQBREM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.058,230-864-6,7345-49-5,"4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride","4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride",FC(=O)C1(OC(=O)C(F)(O1)C(F)(F)F)C(F)(F)F,FC(=O)C1(OC(=O)C(F)(O1)C(F)(F)F)C(F)(F)F,"InChI=1/C6F8O4/c7-1(15)4(6(12,13)14)17-2(16)3(8,18-4)5(9,10)11",C6F8O4,,,,,,NVLMRLQANVCTOG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.063,230-869-3,7346-61-4,2-ethylhexyl octyl phenyl phosphite,2-ethylhexyl octyl phenyl phosphite,CCCCCCCCOP(OCC(CC)CCCC)Oc1ccccc1,CCCCCCCCOP(OCC(CC)CCCC)Oc1ccccc1,"InChI=1/C22H39O3P/c1-4-7-9-10-11-15-19-23-26(25-22-17-13-12-14-18-22)24-20-21(6-3)16-8-5-2/h12-14,17-18,21H,4-11,15-16,19-20H2,1-3H3",C22H39O3P,,,,,,ZIXVBDFLJANKCD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.066,230-873-5,7346-80-7,Sodium (Z)2-(methyl-9-octadecenylamino)ethanesulphonate,sodium 2-[methyl(octadec-9-en-1-yl)amino]ethanesulfonate,CCCCCCCCC=CCCCCCCCCN(C)CCS(=O)(=O)O[Na],CCCCCCCCC=CCCCCCCCCN(C)CCS(=O)(=O)O[Na],"InChI=1/C21H43NO3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25;/h10-11H,3-9,12-21H2,1-2H3,(H,23,24,25);/q;+1/p-1/rC21H42NNaO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-27(24,25)26-23/h10-11H,3-9,12-21H2,1-2H3",C21H43NO3S.Na,,,,,,AUPJTDWZPFFCCP-UHFFFAOYSA-M,,,,,,,,,,,
100.028.072,230-879-8,6/12/7355,"Diethyl 3,3'-sulphonylbispropionate","diethyl 3,3'-sulfonyldipropanoate",CCOC(=O)CCS(=O)(=O)CCC(=O)OCC,CCOC(=O)CCS(=O)(=O)CCC(=O)OCC,"InChI=1/C10H18O6S/c1-3-15-9(11)5-7-17(13,14)8-6-10(12)16-4-2/h3-8H2,1-2H3",C10H18O6S,,,,,,IKKBIEICVVEXON-UHFFFAOYSA-N,,,,,,,,,,,
100.024.033,226-436-3,5399-68-8,"2,4-dihydroxybenzaldehyde oxime","2,4-dihydroxybenzaldehyde oxime",O\\N=C\\c1ccc(O)cc1O,O\N=C\c1ccc(O)cc1O,"InChI=1/C7H7NO3/c9-6-2-1-5(4-8-11)7(10)3-6/h1-4,9-11H",C7H7NO3,,,,,,YIAZXUFZAYNWTP-XBXARRHUSA-N,,,,,,,,,,,
100.024.035,226-438-4,5399-87-1,6-chloro-9-ß-D-ribofuranosyl-9H-purine,6-chloro-9-beta-D-ribofuranosyl-9H-purine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(Cl)ncnc23,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(Cl)ncnc23,"InChI=1/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2",C10H11ClN4O4,,,,,,XHRJGHCQQPETRH-KQYNXXCUSA-N,,,,,,,,,,,
100.024.040,226-444-7,5400-88-4,4-tert-butylcyclohexylamine,4-tert-butylcyclohexanamine,CC(C)(C)C1CCC(N)CC1,CC(C)(C)C1CCC(N)CC1,"InChI=1/C10H21N/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7,11H2,1-3H3",C10H21N,,,,,,BGNLXETYTAAURD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.055,226-460-4,2/12/5406,3-p-tolylpropionaldehyde,3-(4-methylphenyl)propanal,Cc1ccc(CCC=O)cc1,Cc1ccc(CCC=O)cc1,"InChI=1/C10H12O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-8H,2-3H2,1H3",C10H12O,,,,,,ABGZWIFTZXUDGF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.056,226-462-5,5406-14-4,"3,5-xylyloxyacetic acid","(3,5-dimethylphenoxy)acetic acid",Cc1cc(C)cc(OCC(=O)O)c1,Cc1cc(C)cc(OCC(=O)O)c1,"InChI=1/C10H12O3/c1-7-3-8(2)5-9(4-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",C10H12O3,,,,,,NIPZZANLNKBKIS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.058,226-464-6,5406-33-7,p-chlorobenzyl acetate,4-chlorobenzyl acetate,CC(=O)OCc1ccc(Cl)cc1,CC(=O)OCc1ccc(Cl)cc1,"InChI=1/C9H9ClO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3",C9H9ClO2,,,,,,MAGQINDMZBNWLG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.061,226-467-2,5/04/5407,3-chloropropyldimethylammonium chloride,"3-chloro-N,N-dimethylpropan-1-aminium chloride",[Cl-].C[NH+](C)CCCCl,[Cl-].C[NH+](C)CCCCl,"InChI=1/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H",C5H12ClN.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11744,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.061,LJQNMDZRCXJETK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.065,226-471-4,5407-91-0,4-phenylbutyrophenone,"1,4-diphenylbutan-1-one",O=C(CCCc1ccccc1)c2ccccc2,O=C(CCCc1ccccc1)c2ccccc2,"InChI=1/C16H16O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2",C16H16O,,,,,,GBUMEGLMTNAXOM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.530,226-982-2,5585-39-7,"(E)-3,7-dimethyl-2,6-octadienenitrile","3,7-dimethylocta-2,6-dienenitrile",CC(=CCC\\C(=C\\C#N)\\C)C,CC(=CCC\C(=C\C#N)\C)C,"InChI=1/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3",C10H15N,,,,,,HLCSDJLATUNSSI-JXMROGBWSA-N,,,,,,,,,,,
100.024.532,226-984-3,5586-73-2,3-3-diphenylpropylamine,"3,3-diphenylpropan-1-amine",NCCC(c1ccccc1)c2ccccc2,NCCC(c1ccccc1)c2ccccc2,"InChI=1/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2",C15H17N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7422,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.532,KISZTEOELCMZPY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.538,226-991-1,5587-76-8,Sodium cyclopent-2-ene-1-undecanoate,sodium 11-cyclopent-2-en-1-ylundecanoate,[Na+].[O-]C(=O)CCCCCCCCCCC1CCC=C1,[Na+].[O-]C(=O)CCCCCCCCCCC1CCC=C1,"InChI=1/C16H28O2.Na/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15;/h9,12,15H,1-8,10-11,13-14H2,(H,17,18);/q;+1/p-1",C16H28O2.Na,,,,,,PCZFVTPRFQOIND-UHFFFAOYSA-M,,,,,,,,,,,
100.025.728,228-300-9,6221-95-0,Tetradecyl propionate,tetradecyl propionate,CCCCCCCCCCCCCCOC(=O)CC,CCCCCCCCCCCCCCOC(=O)CC,"InChI=1/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h3-16H2,1-2H3",C17H34O2,,,,,,YRZGMTHQPGNLEK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.734,228-307-7,6222-63-5,Sodium 7-(acetylamino)-3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 7-acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S([O-])(=O)=O,[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S([O-])(=O)=O,"InChI=1/C20H18N4O6S.Na/c1-11(25)21-14-3-5-15(6-4-14)23-24-19-18(31(28,29)30)10-13-9-16(22-12(2)26)7-8-17(13)20(19)27;/h3-10,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30);/q;+1/p-1",C20H18N4O6S.Na,,,,,,MSZHEEJTTAUDJC-UHFFFAOYSA-M,,,,,,,,,,,
100.025.749,228-323-4,7/02/6227,Disodium 7-amino-4-hydroxy-3-[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate,disodium 7-amino-4-hydroxy-3-{[5-hydroxy-6-(phenyldiazenyl)-7-sulfonato-2-naphthyl]diazenyl}naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c5cc1cc(N)ccc1c(O)c5N=Nc2ccc4c(c2)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c5cc1cc(N)ccc1c(O)c5N=Nc2ccc4c(c2)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,"InChI=1/C26H19N5O8S2.2Na/c27-16-6-8-19-14(10-16)12-21(40(34,35)36)24(25(19)32)31-29-18-7-9-20-15(11-18)13-22(41(37,38)39)23(26(20)33)30-28-17-4-2-1-3-5-17;;/h1-13,32-33H,27H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C26H19N5O8S2.2Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11263,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.749,MMFAIRVIRUMWLM-UHFFFAOYSA-L,,,,,,,,,,,
100.027.376,230-113-2,6948-30-7,"3-bromo-4,5-dimethoxybenzaldehyde","3-bromo-4,5-dimethoxybenzaldehyde",COc1cc(C=O)cc(Br)c1OC,COc1cc(C=O)cc(Br)c1OC,"InChI=1/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3",C9H9BrO3,,,,,,ICVODPFGWCUVJC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.387,230-125-8,2/08/6951,Ethyl piperonylate,"ethyl 1,3-benzodioxole-5-carboxylate",CCOC(=O)c1ccc2OCOc2c1,CCOC(=O)c1ccc2OCOc2c1,"InChI=1/C10H10O4/c1-2-12-10(11)7-3-4-8-9(5-7)14-6-13-8/h3-5H,2,6H2,1H3",C10H10O4,,,,,,JGHXNKLHSHDHDG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.140,226-554-5,5423-38-1,Copper dibutyl diphthalate,2-(butoxycarbonyl)benzoic acid,CCCCOC(=O)c1ccccc1C(=O)O,CCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)",C12H14O4.1/2Cu,,,,,,YZBOVSFWWNVKRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.153,226-568-1,5425-44-5,"2-phenyl-1,3-dithiane","2-phenyl-1,3-dithiane",C1CSC(SC1)c2ccccc2,C1CSC(SC1)c2ccccc2,"InChI=1/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2",C10H12S2,,,,,,GXKPARDRBFURON-UHFFFAOYSA-N,,,,,,,,,,,
100.024.156,226-571-8,5426-52-8,Propionylurea,N-carbamoylpropanamide,CCC(=O)NC(=O)N,CCC(=O)NC(=O)N,"InChI=1/C4H8N2O2/c1-2-3(7)6-4(5)8/h2H2,1H3,(H3,5,6,7,8)",C4H8N2O2,,,,,,KKACJTWOOFIGAD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.160,226-576-5,5427-28-1,"(2,5-dioxoimidazolidin-4-ylidene)acetic acid","(2,5-dioxoimidazolidin-4-ylidene)acetic acid",O=C(O)C=C1NC(=O)NC1=O,O=C(O)C=C1NC(=O)NC1=O,"InChI=1/C5H4N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h1H,(H,8,9)(H2,6,7,10,11)",C5H4N2O4,,,,,,DOIVUUCRTWRYDG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.167,226-583-3,5429-56-1,2-acetamidoacrylic acid,2-acetamidoacrylic acid,CC(=O)NC(=C)C(=O)O,CC(=O)NC(=C)C(=O)O,"InChI=1/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)",C5H7NO3,,,,,,UFDFFEMHDKXMBG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.173,226-590-1,5432-30-4,"2-octyl-1,3-dioxolane","2-octyl-1,3-dioxolane",CCCCCCCCC1OCCO1,CCCCCCCCC1OCCO1,"InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h11H,2-10H2,1H3",C11H22O2,,,,,,AXDFTMWKPNDOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.177,226-594-3,5433-39-6,N'-benzenesulphono-N-nicotinohydrazide,N'-(phenylsulfonyl)nicotinohydrazide,O=C(NNS(=O)(=O)c1ccccc1)c2cccnc2,O=C(NNS(=O)(=O)c1ccccc1)c2cccnc2,"InChI=1/C12H11N3O3S/c16-12(10-5-4-8-13-9-10)14-15-19(17,18)11-6-2-1-3-7-11/h1-9,15H,(H,14,16)",C12H11N3O3S,,,,,,LJMCUUNDKMWSJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.789,230-567-1,7195-47-3,"Tetrakis(oxiranylmethyl) benzene-1,2,4,5-tetracarboxylate","tetrakis(oxiran-2-ylmethyl) benzene-1,2,4,5-tetracarboxylate",O=C(OCC1CO1)c2cc(C(=O)OCC3CO3)c(cc2C(=O)OCC4CO4)C(=O)OCC5CO5,O=C(OCC1CO1)c2cc(C(=O)OCC3CO3)c(cc2C(=O)OCC4CO4)C(=O)OCC5CO5,"InChI=1/C22H22O12/c23-19(31-7-11-3-27-11)15-1-16(20(24)32-8-12-4-28-12)18(22(26)34-10-14-6-30-14)2-17(15)21(25)33-9-13-5-29-13/h1-2,11-14H,3-10H2",C22H22O12,,,,,,IJTDINJRSNQFSI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.699,207-367-8,465-84-9,"(3ß,5ß)-3-[(2,6-dideoxy-3-O-methyl-ß-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide","5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-6'-oxo-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-6'H-spiro[cyclopenta[a]phenanthrene-17,3'-pyran]-3-yl 2,6-dideoxy-3-O-methylhexopyranoside",COC1CC(OC2CCC3(CO)C4CCC5(C)C(O)(CCC56COC(=O)C=C6)C4CCC3(O)C2)OC(C)C1O,COC1CC(OC2CCC3(CO)C4CCC5(C)C(O)(CCC56COC(=O)C=C6)C4CCC3(O)C2)OC(C)C1O,"InChI=1/C30H46O9/c1-18-25(33)22(36-3)14-24(38-18)39-19-4-10-28(16-31)20-5-8-26(2)27(9-7-23(32)37-17-27)12-13-30(26,35)21(20)6-11-29(28,34)15-19/h7,9,18-22,24-25,31,33-35H,4-6,8,10-17H2,1-3H3",C30H46O9,,,,,,FCBBZANVPISMIM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.701,207-369-9,465-99-6,"(3ß,4a)-3,23-dihydroxyolean-12-en-28-oic acid","3,23-dihydroxyolean-12-en-28-oic acid",CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,"InChI=1/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)",C30H48O4,,,,,,PGOYMURMZNDHNS-MYPRUECHSA-N,,,,,,,,,,,
100.006.704,207-373-0,466-09-1,"3ß,14-dihydroxy-5a-card-20(22)-enolide","3,14-dihydroxycard-20(22)-enolide",C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5,C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5,"InChI=1/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3",C23H34O4,,,,,,XZTUSOXSLKTKJQ-CIXPXFMPSA-N,,,,,,,,,,,
100.006.711,207-380-9,466-96-6,"(5a,8ß)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-ol","3-methoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan-8-ol",COc1ccc2C[C@@H]3[C@@H]4[C@@H](O)C=C[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4[C@@H](O)C=C[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3/c1-19-8-7-18-14-6-4-12(20)16(18)11(19)9-10-3-5-13(21-2)17(22-14)15(10)18/h3-6,11-12,14,16,20H,7-9H2,1-2H3",C18H21NO3,,,,,,KYIVACLUFRUFLS-CVXFFHBFSA-N,,,,,,,,,,,
100.006.715,207-385-6,467-04-9,"(5a)-6,7,8,14-tetradehydro-4,5-epoxy-6-methoxy-17-methylmorphinan-3-ol","6-methoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan-3-ol",COC1=CC=C2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45,COC1=CC=C2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3",C18H19NO3,,,,,,ZKLXUUYLEHCAMF-UUWFMWQGSA-N,,,,,,,,,,,
100.006.719,207-389-8,467-22-1,Carbifene hydrochloride,"2-ethoxy-N-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}-2,2-diphenylacetamide hydrochloride",Cl.CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c2ccccc2)c3ccccc3,Cl.CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C28H34N2O2.ClH/c1-4-32-28(25-16-10-6-11-17-25,26-18-12-7-13-19-26)27(31)30(3)23-22-29(2)21-20-24-14-8-5-9-15-24;/h5-19H,4,20-23H2,1-3H3;1H",C28H34N2O2.ClH,,,,,,DQPNQXUUCWOWCK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.721,207-391-9,467-53-8,Diginin,"11,15-dioxo-12,20-epoxypregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-beta-D-lyxo-hexopyranoside",CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@@H]4[C@@H](CC=C3C2)[C@H]5C(=O)C[C@H]6[C@H](C)O[C@@H](C4=O)[C@@]56C)O[C@H](C)[C@@H]1O,CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@@H]4[C@@H](CC=C3C2)[C@H]5C(=O)C[C@H]6[C@H](C)O[C@@H](C4=O)[C@@]56C)O[C@H](C)[C@@H]1O,"InChI=1/C28H40O7/c1-13-18-11-19(29)22-17-7-6-15-10-16(35-21-12-20(32-5)24(30)14(2)33-21)8-9-27(15,3)23(17)25(31)26(34-13)28(18,22)4/h6,13-14,16-18,20-24,26,30H,7-12H2,1-5H3",C28H40O7,,,,,,WOLJVUSLKTUJMB-IRXHHZSPSA-N,,,,,,,,,,,
100.024.405,226-845-7,5505-16-8,"3,5-diamino-2,4,6-triiodobenzoic acid","3,5-diamino-2,4,6-triiodobenzoic acid",Nc1c(I)c(N)c(I)c(C(=O)O)c1I,Nc1c(I)c(N)c(I)c(C(=O)O)c1I,"InChI=1/C7H5I3N2O2/c8-2-1(7(13)14)3(9)6(12)4(10)5(2)11/h11-12H2,(H,13,14)",C7H5I3N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11588,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.405,GOQCZMZLABPEME-UHFFFAOYSA-N,,,,,,,,,,,
100.024.407,226-847-8,5505-63-5,2-amino-2-deoxy-D-mannose hydrochloride,2-amino-2-deoxy-D-mannose hydrochloride,Cl.N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,Cl.N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H",C6H13NO5.ClH,,,,,,CBOJBBMQJBVCMW-MVNLRXSJSA-N,,,,,,,,,,,
100.024.412,226-853-0,5509-65-9,"2,6-difluoroaniline","2,6-difluoroaniline",Nc1c(F)cccc1F,Nc1c(F)cccc1F,"InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2",C6H5F2N,,,,,,ODUZJBKKYBQIBX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.414,226-855-1,5511-98-8,"Card-20(22)-enolide, 3-[(O-3-O-acetyl-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3ß,5ß,12ß)-","3-{[3-O-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->6)-2,4-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",CC1OC(CC(OC(=O)C)C1O)OC2C(O)CC(OCC3CC(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)O3)OC2C,CC1OC(CC(OC(=O)C)C1O)OC2C(O)CC(OCC3CC(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)O3)OC2C,"InChI=1/C43H66O15/c1-21-39(49)33(55-23(3)44)18-38(53-21)58-40-22(2)54-36(17-32(40)46)52-20-28-14-26(45)15-37(57-28)56-27-8-10-41(4)25(13-27)6-7-30-31(41)16-34(47)42(5)29(9-11-43(30,42)50)24-12-35(48)51-19-24/h12,21-22,25-34,36-40,45-47,49-50H,6-11,13-20H2,1-5H3",C43H66O15,,,,,,KIOXJNPWRPISHM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.694,210-661-9,620-95-1,3-benzylpyridine,3-benzylpyridine,C(c1ccccc1)c2cccnc2,C(c1ccccc1)c2cccnc2,"InChI=1/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2",C12H11N,,,,,,UUCLVSDUMKMBSM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.703,210-671-3,621-13-6,Dicyclohexyl maleate,dicyclohexyl but-2-enedioate,O=C(OC1CCCCC1)\\C=C/C(=O)OC2CCCCC2,O=C(OC1CCCCC1)\C=C/C(=O)OC2CCCCC2,"InChI=1/C16H24O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h11-14H,1-10H2",C16H24O4,,,,,,BLKQQTCUGZJWLN-QXMHVHEDSA-N,,,,,,,,,,,
100.009.704,210-672-9,621-21-6,"1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one","1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one",[O-][N+](=O)c1cccc(c1)C=CC(=O)C=Cc2cccc(c2)[N+]([O-])=O,[O-][N+](=O)c1cccc(c1)C=CC(=O)C=Cc2cccc(c2)[N+]([O-])=O,InChI=1/C17H12N2O5/c20-17(9-7-13-3-1-5-15(11-13)18(21)22)10-8-14-4-2-6-16(12-14)19(23)24/h1-12H,C17H12N2O5,,,,,,ZPQURSDVJWZXLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.707,210-676-0,621-29-4,m-tolyl isocyanate,1-isocyanato-3-methylbenzene,Cc1cccc(c1)N=C=O,Cc1cccc(c1)N=C=O,"InChI=1/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3",C8H7NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11063,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.707,CPPGZWWUPFWALU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.709,210-678-1,621-31-8,3-ethylaminophenol,3-(ethylamino)phenol,CCNc1cccc(O)c1,CCNc1cccc(O)c1,"InChI=1/C8H11NO/c1-2-9-7-4-3-5-8(10)6-7/h3-6,9-10H,2H2,1H3",C8H11NO,,,,,,TVKZDKSHNITMRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.712,210-681-8,621-34-1,3-ethoxyphenol,3-ethoxyphenol,CCOc1cccc(O)c1,CCOc1cccc(O)c1,"InChI=1/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1H3",C8H10O2,,,,,,VBIKLMJHBGFTPV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.714,210-683-9,621-36-3,m-tolylacetic acid,(3-methylphenyl)acetic acid,Cc1cccc(CC(=O)O)c1,Cc1cccc(CC(=O)O)c1,"InChI=1/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O2,,,,,,GJMPSRSMBJLKKB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.721,210-691-2,621-52-3,3-nitrophenetole,1-ethoxy-3-nitrobenzene,CCOc1cccc(c1)[N+](=O)[O-],CCOc1cccc(c1)[N+](=O)[O-],"InChI=1/C8H9NO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3",C8H9NO3,,,,,,LFOLBPDHVGDKGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.725,210-695-4,621-62-5,"2-chloro-1,1-diethoxyethane","2-chloro-1,1-diethoxyethane",CCOC(CCl)OCC,CCOC(CCl)OCC,"InChI=1/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3",C6H13ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18419,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.725,OVXJWSYBABKZMD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.729,210-701-5,621-70-5,Glycerol trihexanoate,"propane-1,2,3-triyl trihexanoate",CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC,CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC,"InChI=1/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3",C21H38O6,,,,,,MAYCICSNZYXLHB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.972,208-768-0,541-15-1,(R)-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide,"3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium hydroxide",[OH-].C[N+](C)(C)C[C@H](O)CC(=O)O,[OH-].C[N+](C)(C)C[C@H](O)CC(=O)O,"InChI=1/C7H15NO3.H2O/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H2",C7H15NO3,,,,,,HGHAGJPXZLUPQV-FYZOBXCZSA-N,,,,,,,,,,,
100.007.979,208-775-9,541-33-3,"1,1-dichlorobutane","1,1-dichlorobutane",CCCC(Cl)Cl,CCCC(Cl)Cl,"InChI=1/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3",C4H8Cl2,,,,,,SEQRDAAUNCRFIT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.984,208-781-1,541-46-8,Isovaleramide,3-methylbutanamide,CC(C)CC(=O)N,CC(C)CC(=O)N,"InChI=1/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)",C5H11NO,,,,,,SANOUVWGPVYVAV-UHFFFAOYSA-N,,,,,,,,,,,
100.007.995,208-793-7,541-85-5,5-methylheptan-3-one,5-methylheptan-3-one,CCC(C)CC(=O)CC,CCC(C)CC(=O)CC,"InChI=1/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3",C8H16O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12277,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.995,PSBKJPTZCVYXSD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.000,208-798-4,542-08-5,Isopropyl acetoacetate,isopropyl 3-oxobutanoate,CC(C)OC(=O)CC(=O)C,CC(C)OC(=O)CC(=O)C,"InChI=1/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3",C7H12O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12824,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.000,GVIIRWAJDFKJMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.001,208-800-3,542-10-9,Ethylidene di(acetate),"ethane-1,1-diyl diacetate",CC(OC(=O)C)OC(=O)C,CC(OC(=O)C)OC(=O)C,"InChI=1/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3",C6H10O4,,,,,,ACKALUBLCWJVNB-UHFFFAOYSA-N,,,,,,,,,,,
100.008.008,208-808-7,542-29-0,"Tetrahydro-4H-1,3,5-oxadiazin-4-one","1,3,5-oxadiazinan-4-one",O=C1NCOCN1,O=C1NCOCN1,"InChI=1/C3H6N2O2/c6-3-4-1-7-2-5-3/h1-2H2,(H2,4,5,6)",C3H6N2O2,,,,,,LYBCPJIYBPKTHI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.011,208-811-3,542-42-7,Calcium dipalmitate,calcium dihexadecanoate,[Ca+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Ca,,,,,,HRBZRZSCMANEHQ-UHFFFAOYSA-L,,,,,,,,,,,
100.008.013,208-813-4,542-46-1,(Z)-9-cycloheptadecen-1-one,cycloheptadec-9-en-1-one,O=C1CCCCCCC\\C=C\\CCCCCCC1,O=C1CCCCCCC\C=C\CCCCCCC1,"InChI=1/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2",C17H30O,,,,,,ZKVZSBSZTMPBQR-OWOJBTEDSA-N,,,,,,,,,,,
100.008.016,208-817-6,542-54-1,4-methylpentanenitrile,4-methylpentanenitrile,CC(C)CCC#N,CC(C)CCC#N,"InChI=1/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3",C6H11N,,,,,,DUJMVKJJUANUMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.067,226-474-0,5408-52-6,L-lysine L-glutamate,L-glutamic acid - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C6H14N2O2.C5H9NO4/c7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)",C6H14N2O2.C5H9NO4,,,,,,HOMROMWVNDUGRI-RVZXSAGBSA-N,,,,,,,,,,,
100.024.074,226-481-9,5409-55-2,"3,4-dihydro-3,3,6,8-tetramethylnaphthalen-1(2H)-one","3,3,6,8-tetramethyl-3,4-dihydronaphthalen-1(2H)-one",Cc1cc(C)c2C(=O)CC(C)(C)Cc2c1,Cc1cc(C)c2C(=O)CC(C)(C)Cc2c1,"InChI=1/C14H18O/c1-9-5-10(2)13-11(6-9)7-14(3,4)8-12(13)15/h5-6H,7-8H2,1-4H3",C14H18O,,,,,,SHSYEGQDGZAMNV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.078,226-486-6,5410-93-5,"Zinc 2,2'-dihydroxy-1,1'-azonaphthalene-4-sulphonate",zinc bis{3-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate},Oc1ccc2ccccc2c1N=Nc3c(O)cc(c4ccccc34)S(=O)(=O)O[Zn]OS(=O)(=O)c5cc(O)c(N=Nc6c(O)ccc7ccccc67)c8ccccc58,Oc1ccc2ccccc2c1N=Nc3c(O)cc(c4ccccc34)S(=O)(=O)O[Zn]OS(=O)(=O)c5cc(O)c(N=Nc6c(O)ccc7ccccc67)c8ccccc58,"InChI=1/2C20H14N2O5S.Zn/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h2*1-11,23-24H,(H,25,26,27);/q;;+2/p-2/rC40H26N4O10S2Zn/c45-31-19-17-23-9-1-3-11-25(23)37(31)41-43-39-29-15-7-5-13-27(29)35(21-33(39)47)55(49,50)53-57-54-56(51,52)36-22-34(48)40(30-16-8-6-14-28(30)36)44-42-38-26-12-4-2-10-24(26)18-20-32(38)46/h1-22,45-48H",C20H14N2O5S.1/2Zn,,,,,,LZUCKTGEMRCUTH-UHFFFAOYSA-L,,,,,,,,,,,
100.024.080,226-488-7,5411-14-3,"2,2'-[1,2-phenylenebis(oxy)]bisacetic acid","2,2'-[1,2-phenylenebis(oxy)]diacetic acid",OC(=O)COc1ccccc1OCC(=O)O,OC(=O)COc1ccccc1OCC(=O)O,"InChI=1/C10H10O6/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",C10H10O6,,,,,,PPZYHOQWRAUWAY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.641,230-404-4,7098-08-0,"4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)anthraquinone","4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)c4ccc(O)cc4,Nc1ccc(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)c4ccc(O)cc4,"InChI=1/C20H14N2O5/c21-11-5-6-13(24)16-14(11)20(27)17-15(19(16)26)12(22)7-10(18(17)25)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2",C20H14N2O5,,,,,,MOLVDYADKVCUCB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.644,230-408-6,7098-80-8,"(2,2-dimethyl-1,3-dioxolan-4-yl)methyl methacrylate","(2,2-dimethyl-1,3-dioxolan-4-yl)methyl methacrylate",CC(=C)C(=O)OCC1COC(C)(C)O1,CC(=C)C(=O)OCC1COC(C)(C)O1,"InChI=1/C10H16O4/c1-7(2)9(11)12-5-8-6-13-10(3,4)14-8/h8H,1,5-6H2,2-4H3",C10H16O4,,,,,,JPFPDGRVRGETED-UHFFFAOYSA-N,,,,,,,,,,,
100.027.648,230-412-8,7104-38-3,Levomepromazine maleate,"3-(2-methoxy-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine but-2-enedioate",OC(=O)C=CC(O)=O.CN(C)C[C@@H](C)CN1c3ccccc3Sc2ccc(OC)cc12,OC(=O)C=CC(O)=O.CN(C)C[C@@H](C)CN1c3ccccc3Sc2ccc(OC)cc12,"InChI=1/C19H24N2OS.C4H4O4/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,14H,12-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)",C19H24N2OS.C4H4O4,,,,,,IFLZPECPTYCEBR-PFEQFJNWSA-N,,,,,,,,,,,
100.027.652,230-417-5,6/11/7114,Naphthonone,2-(2-hydroxy-1-naphthyl)cyclohexanone,Oc1ccc2ccccc2c1C3CCCCC3=O,Oc1ccc2ccccc2c1C3CCCCC3=O,"InChI=1/C16H16O2/c17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)18/h1-2,5-6,9-10,13,18H,3-4,7-8H2",C16H16O2,,,,,,FQCYCLSYFLSHKF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.664,230-430-6,7132-64-1,Methyl pentadecanoate,methyl pentadecanoate,CCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCC(=O)OC,"InChI=1/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3",C16H32O2,,,,,,XIUXKAZJZFLLDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.675,230-442-1,3/01/7143,Methanesulphonic anhydride,methanesulphonic anhydride,CS(=O)(=O)OS(=O)(=O)C,CS(=O)(=O)OS(=O)(=O)C,"InChI=1/C2H6O5S2/c1-8(3,4)7-9(2,5)6/h1-2H3",C2H6O5S2,,,,,,IZDROVVXIHRYMH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.676,230-443-7,7143-21-7,"Disodium 3-hydroxy-4-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 3-hydroxy-4-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H11N3O9S2.2Na/c20-16-14(30(26,27)28)8-9-7-12(29(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)19(21)22;;/h1-8,20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C16H11N3O9S2.2Na,,,,,,YTTDMCWAOBZSJR-UHFFFAOYSA-L,,,,,,,,,,,
100.027.685,230-453-1,7145-99-5,"5-methyl-1,3-benzodioxole","5-methyl-1,3-benzodioxole",Cc1ccc2OCOc2c1,Cc1ccc2OCOc2c1,"InChI=1/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3",C8H8O2,,,,,,GHPODDMCSOYWNE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.441,226-885-5,4/05/5534,Betamethasone acibutate,"21-acetoxy-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 2-methylpropanoate",CC(C)C(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(=O)C,CC(C)C(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(=O)C,"InChI=1/C28H37FO7/c1-15(2)24(34)36-28(23(33)14-35-17(4)30)16(3)11-21-20-8-7-18-12-19(31)9-10-25(18,5)27(20,29)22(32)13-26(21,28)6/h9-10,12,15-16,20-22,32H,7-8,11,13-14H2,1-6H3",C28H37FO7,,,,,,KGNVBESWWSSQAN-QEVRMTOFSA-N,,,,,,,,,,,
100.027.804,230-583-9,7206-76-0,2-ethyl-2-phenylmalonamide monohydrate,2-ethyl-2-phenylmalonamide hydrate,O.CCC(C(=O)N)(C(=O)N)c1ccccc1,O.CCC(C(=O)N)(C(=O)N)c1ccccc1,"InChI=1/C11H14N2O2.H2O/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15);1H2",C11H14N2O2,,,,,,FZSBWHZDTUPYRX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.806,230-586-5,7207-49-0,Octan-2-one oxime,octan-2-one oxime,CCCCCCC(C)=NO,CCCCCCC(C)=NO,"InChI=1/C8H17NO/c1-3-4-5-6-7-8(2)9-10/h10H,3-7H2,1-2H3",C8H17NO,,,,,,GZRPVYSKBVDCBV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.810,230-590-7,7210-92-6,Methyl 2-[[(diethylamino)acetyl]amino]-3-methylbenzoate monohydrochloride,"methyl 2-[(N,N-diethylglycyl)amino]-3-methylbenzoate hydrochloride",Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC,Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC,"InChI=1/C15H22N2O3.ClH/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4;/h7-9H,5-6,10H2,1-4H3,(H,16,18);1H",C15H22N2O3.ClH,,,,,,LIWOWASNSWUKPF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.816,230-597-5,7212-44-4,"3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers","3,7,11-trimethyldodeca-1,6,10-trien-3-ol",CC(=CCC\\C(=C\\CCC(C)(O)C=C)\\C)C,CC(=CCC\C(=C\CCC(C)(O)C=C)\C)C,"InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3",C15H26O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1931,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.816,FQTLCLSUCSAZDY-SDNWHVSQSA-N,,,,,,,,,,,
100.027.822,230-604-1,7216-73-1,Methyl 4-O-ß-D-glucopyranosyl-ß-D-glucopyranoside,methyl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside,CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,"InChI=1/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3",C13H24O11,,,,,,FHNIYFZSHCGBPP-VJNWNIOVSA-N,,,,,,,,,,,
100.027.824,230-606-2,7217-71-2,a-vinylbenzyl acetate,1-phenylprop-2-en-1-yl acetate,CC(=O)OC(C=C)c1ccccc1,CC(=O)OC(C=C)c1ccccc1,"InChI=1/C11H12O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3-8,11H,1H2,2H3",C11H12O2,,,,,,WAUKBOOEPYNAGU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.826,230-608-3,2/02/7218,"2,6-dimethylbenzene-1,4-diamine","2,6-dimethylbenzene-1,4-diamine",Cc1cc(N)cc(C)c1N,Cc1cc(N)cc(C)c1N,"InChI=1/C8H12N2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,9-10H2,1-2H3",C8H12N2,,,,,,MJAVQHPPPBDYAN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.543,226-996-9,5588-25-0,"2-piperidinoethyl [1,1'-bicyclohexyl]-1-carboxylate hydrochloride","2-piperidin-1-ylethyl 1,1'-bi(cyclohexyl)-1-carboxylate hydrochloride",Cl.O=C(OCCN1CCCCC1)C2(CCCCC2)C3CCCCC3,Cl.O=C(OCCN1CCCCC1)C2(CCCCC2)C3CCCCC3,"InChI=1/C20H35NO2.ClH/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18;/h18H,1-17H2;1H",C20H35NO2.ClH,,,,,,AQFATCCHOXBYNK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.548,227-002-6,5591-47-9,Cyclomenol,"2-cyclohexyl-3,5-dimethylphenol",Cc1cc(C)c(C2CCCCC2)c(O)c1,Cc1cc(C)c(C2CCCCC2)c(O)c1,"InChI=1/C14H20O/c1-10-8-11(2)14(13(15)9-10)12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3",C14H20O,,,,,,ZEEKNRMEDJKDMO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.550,227-004-7,5592-64-3,"3-amino-4-[(2-bromophenyl)thio]-N,N-dimethylbenzenesulphonamide","3-amino-4-[(2-bromophenyl)sulfanyl]-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(Sc2ccccc2Br)c(N)c1,CN(C)S(=O)(=O)c1ccc(Sc2ccccc2Br)c(N)c1,"InChI=1/C14H15BrN2O2S2/c1-17(2)21(18,19)10-7-8-14(12(16)9-10)20-13-6-4-3-5-11(13)15/h3-9H,16H2,1-2H3",C14H15BrN2O2S2,,,,,,YQMIXRUAVHGKTO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.569,227-025-1,5606-24-6,"N-butyl-1,3,5-triazine-2,4,6-triamine","N~2~-butyl-1,3,5-triazine-2,4,6-triamine",CCCCNc1nc(N)nc(N)n1,CCCCNc1nc(N)nc(N)n1,"InChI=1/C7H14N6/c1-2-3-4-10-7-12-5(8)11-6(9)13-7/h2-4H2,1H3,(H5,8,9,10,11,12,13)",C7H14N6,,,,,,CVKGSDYWCFQOKU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.398,230-137-3,6954-41-2,"4,4'-[oxybis(ethyleneoxy)]dianiline","4,4'-[oxybis(ethane-2,1-diyloxy)]dianiline",Nc1ccc(OCCOCCOc2ccc(N)cc2)cc1,Nc1ccc(OCCOCCOc2ccc(N)cc2)cc1,"InChI=1/C16H20N2O3/c17-13-1-5-15(6-2-13)20-11-9-19-10-12-21-16-7-3-14(18)4-8-16/h1-8H,9-12,17-18H2",C16H20N2O3,,,,,,ZPFOBIGQVVIRGT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.403,230-143-6,6957-14-8,N-(2-pyridylmethyl)piperazine-1-ethylamine,2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine,C(CN1CCNCC1)NCc2ccccn2,C(CN1CCNCC1)NCc2ccccn2,"InChI=1/C12H20N4/c1-2-4-15-12(3-1)11-14-7-10-16-8-5-13-6-9-16/h1-4,13-14H,5-11H2",C12H20N4,,,,,,KRQSKMDJMSKNLA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.409,230-149-9,6959-47-3,2-(chloromethyl)pyridinium chloride,2-(chloromethyl)pyridinium chloride,[Cl-].ClCc1cccc[nH+]1,[Cl-].ClCc1cccc[nH+]1,"InChI=1/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H",C6H6ClN.ClH,,,,,,JPMRGPPMXHGKRO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.410,230-150-4,6959-48-4,3-(chloromethyl)pyridinium chloride,3-(chloromethyl)pyridinium chloride,[Cl-].ClCc1ccc[nH+]c1,[Cl-].ClCc1ccc[nH+]c1,"InChI=1/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H",C6H6ClN.ClH,,,,,,UZGLOGCJCWBBIV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.415,226-856-7,5513-38-2,Benzyl N-benzyloxycarbonylglycinate,benzyl N-[(benzyloxy)carbonyl]glycinate,O=C(CNC(=O)OCc1ccccc1)OCc2ccccc2,O=C(CNC(=O)OCc1ccccc1)OCc2ccccc2,"InChI=1/C17H17NO4/c19-16(21-12-14-7-3-1-4-8-14)11-18-17(20)22-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)",C17H17NO4,,,,,,STICGTUXBDFNAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.419,226-860-9,5516-20-1,"2-[2-(4-chlorophenyl)vinyl]-5-(2H-naphtho[1,2-d]triazol-2-yl)benzonitrile","2-[2-(4-chlorophenyl)vinyl]-5-(2H-naphtho[1,2-d][1,2,3]triazol-2-yl)benzonitrile",Clc1ccc(\\C=C\\c2ccc(cc2C#N)n3nc4ccc5ccccc5c4n3)cc1,Clc1ccc(\C=C\c2ccc(cc2C#N)n3nc4ccc5ccccc5c4n3)cc1,InChI=1/C25H15ClN4/c26-21-11-6-17(7-12-21)5-8-18-9-13-22(15-20(18)16-27)30-28-24-14-10-19-3-1-2-4-23(19)25(24)29-30/h1-15H,C25H15ClN4,,,,,,VZMOHDAVPDNZFE-VMPITWQZSA-N,,,,,,,,,,,
100.024.426,226-868-2,5522-43-0,1-nitropyrene,1-nitropyrene,[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34,[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34,InChI=1/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,C16H9NO2,,,,,,ALRLPDGCPYIVHP-UHFFFAOYSA-N,Positive/Negative,UA003403,[M+H]+,CID35,231.068:202.0781:218.073,UFZ_Additional_Specs,UA003405,[M]-,CID35,217.0655:247.0635:198.0222,UFZ_Additional_Specs
100.024.431,226-874-5,5526-59-0,Isonicotinaldehyde semicarbazone,isonicotinaldehyde semicarbazone,NC(=O)N\\N=C\\c1ccncc1,NC(=O)N\N=C\c1ccncc1,"InChI=1/C7H8N4O/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H3,8,11,12)",C7H8N4O,,,,,,XONPOIORMOPYOE-BJMVGYQFSA-N,,,,,,,,,,,
100.024.434,226-877-1,5529-89-5,3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium,"3-[2-{2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylene]butylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate",CC[n+]3c4cc(ccc4oc3C=C(CC)C=C2Sc1ccccc1N2CCCS([O-])(=O)=O)c5ccccc5,CC[n+]3c4cc(ccc4oc3C=C(CC)C=C2Sc1ccccc1N2CCCS([O-])(=O)=O)c5ccccc5,"InChI=1/C30H30N2O4S2/c1-3-22(20-30-32(17-10-18-38(33,34)35)25-13-8-9-14-28(25)37-30)19-29-31(4-2)26-21-24(15-16-27(26)36-29)23-11-6-5-7-12-23/h5-9,11-16,19-21H,3-4,10,17-18H2,1-2H3",C30H30N2O4S2,,,,,,AXRIZLCXXQKAOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.436,226-879-2,5531-65-7,Benzyl stearate,benzyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1,CCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1,"InChI=1/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3",C25H42O2,,,,,,BPSLVNCMKDXZPC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.437,226-880-8,5532-86-5,Benzyl cyanoformate,benzyl cyanidocarbonate,O=C(OCc1ccccc1)C#N,O=C(OCc1ccccc1)C#N,"InChI=1/C9H7NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,7H2",C9H7NO2,,,,,,GDZIODIYBLTRRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.438,226-881-3,5533-00-6,3-methoxy-4-(methoxymethoxy)benzaldehyde,3-methoxy-4-(methoxymethoxy)benzaldehyde,COCOc1ccc(C=O)cc1OC,COCOc1ccc(C=O)cc1OC,"InChI=1/C10H12O4/c1-12-7-14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,7H2,1-2H3",C10H12O4,,,,,,QWQRYWWOQOUPQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.032,230-835-8,7333-67-7,"Propane-1,3-diylbis[triphenylphosphonium] dibromide","propane-1,3-diylbis(triphenylphosphonium) dibromide",[Br-].[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6,[Br-].[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/C39H36P2.2BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;;/h1-18,20-31H,19,32-33H2;2*1H/q+2;;/p-2",C39H36P2.2Br,,,,,,VHCYVFIHNUYVHU-UHFFFAOYSA-L,,,,,,,,,,,
100.028.035,230-838-4,7334-51-2,"N,N,N',N'-tetramethylsuccinamide","N,N,N',N'-tetramethylsuccinamide",CN(C)C(=O)CCC(=O)N(C)C,CN(C)C(=O)CCC(=O)N(C)C,"InChI=1/C8H16N2O2/c1-9(2)7(11)5-6-8(12)10(3)4/h5-6H2,1-4H3",C8H16N2O2,,,,,,RCWUFNWXCIKHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.038,230-842-6,7335-25-3,Ethyl 2-chlorobenzoate,ethyl 2-chlorobenzoate,CCOC(=O)c1ccccc1Cl,CCOC(=O)c1ccccc1Cl,"InChI=1/C9H9ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3",C9H9ClO2,,,,,,RETLCWPMLJPOTP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.040,230-844-7,7335-27-5,Ethyl 4-chlorobenzoate,ethyl 4-chlorobenzoate,CCOC(=O)c1ccc(Cl)cc1,CCOC(=O)c1ccc(Cl)cc1,"InChI=1/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",C9H9ClO2,,,,,,RWBYCMPOFNRISR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.045,230-849-4,7336-27-8,Isopentyl methacrylate,3-methylbutyl methacrylate,CC(C)CCOC(=O)C(=C)C,CC(C)CCOC(=O)C(=C)C,"InChI=1/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h7H,3,5-6H2,1-2,4H3",C9H16O2,,,,,,ULYIFEQRRINMJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.047,230-852-0,7337-81-7,"3,6-dioxabicyclo[6.3.1]dodeca-1(12),8,10-triene-2,7-dione","3,6-dioxabicyclo[6.3.1]dodeca-1(12),8,10-triene-2,7-dione",O=C1OCCOC(=O)c2cccc1c2,O=C1OCCOC(=O)c2cccc1c2,"InChI=1/C10H8O4/c11-9-7-2-1-3-8(6-7)10(12)14-5-4-13-9/h1-3,6H,4-5H2",C10H8O4,,,,,,LZFNKJKBRGFWDU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.049,230-854-1,7341-17-5,2-ethylhexane-1-thiol,2-ethylhexane-1-thiol,CCCCC(CC)CS,CCCCC(CC)CS,"InChI=1/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",C8H18S,,,,,,UCJMHYXRQZYNNL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.018,208-819-7,542-56-3,Isobutyl nitrite,isobutyl nitrite,CC(C)CON=O,CC(C)CON=O,"InChI=1/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3",C4H9NO2,,,,,,APNSGVMLAYLYCT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.019,208-820-2,542-58-5,2-chloroethyl acetate,2-chloroethyl acetate,CC(=O)OCCCl,CC(=O)OCCCl,"InChI=1/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3",C4H7ClO2,,,,,,VIRWKAJWTKAIMA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.950,209-843-0,594-45-6,Ethanesulphonic acid,ethanesulfonic acid,CCS(=O)(=O)O,CCS(=O)(=O)O,"InChI=1/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)",C2H6O3S,,,,,,CCIVGXIOQKPBKL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.955,209-848-8,594-61-6,2-hydroxy-2-methylpropionic acid,2-hydroxy-2-methylpropanoic acid,CC(C)(O)C(=O)O,CC(C)(O)C(=O)O,"InChI=1/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)",C4H8O3,,,,,,BWLBGMIXKSTLSX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.960,209-854-0,594-72-9,"1,1-dichloro-1-nitroethane","1,1-dichloro-1-nitroethane",CC(Cl)(Cl)[N+](=O)[O-],CC(Cl)(Cl)[N+](=O)[O-],"InChI=1/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3",C2H3Cl2NO2,,,,,,OQOGEOLRYAOSKO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.965,209-859-8,595-21-1,"(3ß,5ß,16ß)-3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide","3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide",CO[C@H]1[C@@H](O)[C@@H](C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)[C@@H]1O,CO[C@H]1[C@@H](O)[C@@H](C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)[C@@H]1O,"InChI=1/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3",C30H46O9,,,,,,CPFNIKYEDJFRAT-VWPHWFBBSA-N,,,,,,,,,,,
100.008.966,209-860-3,595-29-9,"(1R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione","1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione",CC1(C)C2CC[C@@]1(C)C(=O)OC2=O,CC1(C)C2CC[C@@]1(C)C(=O)OC2=O,"InChI=1/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3",C10H14O3,,,,,,VFZDNKRDYPTSTP-TYICEKJOSA-N,,,,,,,,,,,
100.008.967,209-861-9,595-30-2,Dl-camphoric anhydride,"1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione",O=C1OC(=O)C2CCC1(C)C2(C)C,O=C1OC(=O)C2CCC1(C)C2(C)C,"InChI=1/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3",C10H14O3,,,,,,VFZDNKRDYPTSTP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.970,209-865-0,595-37-9,"2,2-dimethylbutyric acid","2,2-dimethylbutanoic acid",CCC(C)(C)C(=O)O,CCC(C)(C)C(=O)O,"InChI=1/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)",C6H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5656,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.970,VUAXHMVRKOTJKP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.972,209-867-1,595-46-0,Dimethylmalonic acid,dimethylmalonic acid,CC(C)(C(=O)O)C(=O)O,CC(C)(C(=O)O)C(=O)O,"InChI=1/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)",C5H8O4,,,,,,OREAFAJWWJHCOT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.973,209-868-7,595-48-2,2-hydroxy-2-methylpropanedioic acid,hydroxy(methyl)malonic acid,CC(O)(C(=O)O)C(=O)O,CC(O)(C(=O)O)C(=O)O,"InChI=1/C4H6O5/c1-4(9,2(5)6)3(7)8/h9H,1H3,(H,5,6)(H,7,8)",C4H6O5,,,,,,LNRVTEQEGXVMEF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.974,209-869-2,595-77-7,Algestone,"16,17-dihydroxypregn-4-ene-3,20-dione",CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3",C21H30O4,,,,,,CXDWHYOBSJTRJU-SRWWVFQWSA-N,,,,,,,,,,,
100.008.986,209-882-3,596-38-3,9-phenylxanthen-9-ol,9-phenyl-9H-xanthen-9-ol,OC1(c2ccccc2)c3ccccc3Oc4ccccc14,OC1(c2ccccc2)c3ccccc3Oc4ccccc14,"InChI=1/C19H14O2/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,20H",C19H14O2,,,,,,CVZUPKFPOSRRSK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.987,209-883-9,596-42-9,"2,-chloro-4',4''-bis(dimethylamino)trityl alcohol",(2-chlorophenyl){bis[4-(dimethylamino)phenyl]}methanol,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccccc3Cl,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccccc3Cl,"InChI=1/C23H25ClN2O/c1-25(2)19-13-9-17(10-14-19)23(27,21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4/h5-16,27H,1-4H3",C23H25ClN2O,,,,,,OWOSWOVOVQGAHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.992,209-889-1,596-69-0,"18-hydroxypregn-4-ene-3,20-dione","18-hydroxypregn-4-ene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CO,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CO,"InChI=1/C21H30O3/c1-13(23)17-5-6-19-16-4-3-14-11-15(24)7-9-20(14,2)18(16)8-10-21(17,19)12-22/h11,16-19,22H,3-10,12H2,1-2H3",C21H30O3,,,,,,QFNCSEWPJSDMED-OFELHODLSA-N,,,,,,,,,,,
100.008.994,209-891-2,596-76-9,Diethyl butylethylmalonate,diethyl butyl(ethyl)malonate,CCCCC(CC)(C(=O)OCC)C(=O)OCC,CCCCC(CC)(C(=O)OCC)C(=O)OCC,"InChI=1/C13H24O4/c1-5-9-10-13(6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3",C13H24O4,,,,,,OPFFBDXXUZAUAK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.995,209-892-8,597-04-6,"Ethyl 2,2-dimethylacetoacetate","ethyl 2,2-dimethyl-3-oxobutanoate",CCOC(=O)C(C)(C)C(=O)C,CCOC(=O)C(C)(C)C(=O)C,"InChI=1/C8H14O3/c1-5-11-7(10)8(3,4)6(2)9/h5H2,1-4H3",C8H14O3,,,,,,NVAHZHOCRQCUBY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.444,226-888-1,5534-18-9,"9-chloro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-propionate","9-chloro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate",CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C)C(=O)CO,CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C25H33ClO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3",C25H33ClO6,,,,,,OHYGPBKGZGRQKT-XGQKBEPLSA-N,,,,,,,,,,,
100.024.446,226-890-2,5535-48-8,Phenyl vinyl sulphone,(vinylsulfonyl)benzene,C=CS(=O)(=O)c1ccccc1,C=CS(=O)(=O)c1ccccc1,"InChI=1/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2",C8H8O2S,,,,,,UJTPZISIAWDGFF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.449,226-893-9,5536-17-4,Vidarabine,9-beta-D-arabinofuranosyl-9H-purin-6-amine,Nc3ncnc1c3ncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O,Nc3ncnc1c3ncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O,"InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)",C10H13N5O4,,,,,,OIRDTQYFTABQOQ-UHTZMRCNSA-N,,,,,,,,,,,
100.024.450,226-894-4,5536-30-1,5-amino-2'-deoxyuridine,5-amino-2'-deoxyuridine,NC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,NC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1/C9H13N3O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3,10H2,(H,11,15,16)",C9H13N3O5,,,,,,OZMVAFPILSPXRM-RRKCRQDMSA-N,,,,,,,,,,,
100.024.452,226-897-0,5537-71-3,m-(1-cyanoethyl)benzoic acid,3-(1-cyanoethyl)benzoic acid,CC(C#N)c1cccc(c1)C(=O)O,CC(C#N)c1cccc(c1)C(=O)O,"InChI=1/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)",C10H9NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11613,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.452,IRYIYPWRXROPSX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.457,226-902-6,5538-95-4,"N-dodecylpropane-1,3-diamine","N-dodecylpropane-1,3-diamine",CCCCCCCCCCCCNCCCN,CCCCCCCCCCCCNCCCN,"InChI=1/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3",C15H34N2,,,,,,XMMDVXFQGOEOKH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.461,226-906-8,5541-93-5,Trisodium 2-phosphonatoacrylate,trisodium 2-phosphonatoacrylate,[Na+].[Na+].[Na+].[O-]C(=O)C(=C)P(=O)([O-])[O-],[Na+].[Na+].[Na+].[O-]C(=O)C(=C)P(=O)([O-])[O-],"InChI=1/C3H5O5P.3Na/c1-2(3(4)5)9(6,7)8;;;/h1H2,(H,4,5)(H2,6,7,8);;;/q;3*+1/p-3",C3H5O6P.3Na,,,,,,PXZLIQKGQHAEQL-UHFFFAOYSA-K,,,,,,,,,,,
100.024.462,226-907-3,5543-57-7,(S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone,4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,"InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",C19H16O4,,,,,,PJVWKTKQMONHTI-UHFFFAOYSA-N,Positive/Negative,SM834702;UF404201|UF404202|UF404203|UF404204,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,163.0391:251.0705:309.1124;251.0702:163.039:183.0804|121.0284:163.039:155.0855|163.039:251.0704:147.0805|163.0389:251.0703:147.0804,CASMI_2016;UFZ,SM834752;UF404251|UF404252|UF404253|UF404254,[M-H]-;[M-H]-,HCD35;HCD55|HCD80|CID35|CID55,307.0975:161.0244:250.0636;307.0974|307.0973:161.0243:250.0636|161.0244:250.0635:117.0346|161.0244:250.0634:117.0346,CASMI_2016;UFZ
100.024.480,226-927-2,5558-95-2,2-(trichloromethyl)quinazolin-4(1H)-one,2-(trichloromethyl)quinazolin-4(1H)-one,ClC(Cl)(Cl)C1=NC(=O)c2ccccc2N1,ClC(Cl)(Cl)C1=NC(=O)c2ccccc2N1,"InChI=1/C9H5Cl3N2O/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(15)14-8/h1-4H,(H,13,14,15)",C9H5Cl3N2O,,,,,,BFLBZZSGIIUGIX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.481,226-928-8,5559-62-6,"1-chlorobutane-2,3-dione","1-chlorobutane-2,3-dione",CC(=O)C(=O)CCl,CC(=O)C(=O)CCl,"InChI=1/C4H5ClO2/c1-3(6)4(7)2-5/h2H2,1H3",C4H5ClO2,,,,,,AHPSZWVDPABXPI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.488,226-936-1,5563-78-0,"[1R-(1a,2a,5ß)]-5-(isopropyl)-2-methylcyclohexan-1-ol",5-isopropyl-2-methylcyclohexanol,CC(C)C1CCC(C)C(O)C1,CC(C)C1CCC(C)C(O)C1,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,ULJXKUJMXIVDOY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.075,230-882-4,7355-51-3,4-(cyclohex-2'-enyloxy)benzoic acid,4-(cyclohex-2-en-1-yloxy)benzoic acid,OC(=O)c1ccc(OC2CCCC=C2)cc1,OC(=O)c1ccc(OC2CCCC=C2)cc1,"InChI=1/C13H14O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5H2,(H,14,15)",C13H14O3,,,,,,PDVBRFKIRWATOO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.078,230-886-6,8/11/7356,Methyl 3-nitro-p-toluate,methyl 4-methyl-3-nitrobenzoate,COC(=O)c1ccc(C)c(c1)[N+](=O)[O-],COC(=O)c1ccc(C)c(c1)[N+](=O)[O-],"InChI=1/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3",C9H9NO4,,,,,,YFPBHPCMYFCRKS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.081,230-889-2,7357-71-3,Sodium 6-hydroxy-5-[[4-(o-tolylazo)-o-tolyl]azo]naphthalene-2-sulphonate,sodium 6-hydroxy-5-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].Cc4ccccc4N=Nc3ccc(N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)c(C)c3,[Na+].Cc4ccccc4N=Nc3ccc(N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)c(C)c3,"InChI=1/C24H20N4O4S.Na/c1-15-5-3-4-6-21(15)26-25-18-8-11-22(16(2)13-18)27-28-24-20-10-9-19(33(30,31)32)14-17(20)7-12-23(24)29;/h3-14,29H,1-2H3,(H,30,31,32);/q;+1/p-1",C24H20N4O4S.Na,,,,,,RSZYTBANKQJAPB-UHFFFAOYSA-M,,,,,,,,,,,
100.028.084,230-892-9,7358-61-4,"1,3,5-trimethylbarbituric acid","1,3,5-trimethylpyrimidine-2,4,6(1H,3H,5H)-trione",CC1C(=O)N(C)C(=O)N(C)C1=O,CC1C(=O)N(C)C(=O)N(C)C1=O,"InChI=1/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h4H,1-3H3",C7H10N2O3,,,,,,OTSKHUNLOQPIGN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.085,230-893-4,8/04/7359,"1-(2,3,5,6,7,8-hexahydro-1,1-dimethyl-1H-benz[f]inden-4-yl)ethan-1-one","1-(1,1-dimethyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone",CC(=O)c1c2CCCCc2cc3c1CCC3(C)C,CC(=O)c1c2CCCCc2cc3c1CCC3(C)C,"InChI=1/C17H22O/c1-11(18)16-13-7-5-4-6-12(13)10-15-14(16)8-9-17(15,2)3/h10H,4-9H2,1-3H3",C17H22O,,,,,,HIQNCQIKWYJQJH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.413,230-154-6,6960-45-8,7-nitro-1H-indole-2-carboxylic acid,7-nitro-1H-indole-2-carboxylic acid,OC(=O)c1cc2cccc(c2[nH]1)[N+](=O)[O-],OC(=O)c1cc2cccc(c2[nH]1)[N+](=O)[O-],"InChI=1/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)",C9H6N2O4,,,,,,BIUCOFQROHIAEO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.419,230-160-9,6963-40-2,2-ethoxyethyl acetoacetate,2-ethoxyethyl 3-oxobutanoate,CCOCCOC(=O)CC(=O)C,CCOCCOC(=O)CC(=O)C,"InChI=1/C8H14O4/c1-3-11-4-5-12-8(10)6-7(2)9/h3-6H2,1-2H3",C8H14O4,,,,,,JKUOURUUCRHADD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.420,230-161-4,6963-44-6,"Pentane-1,5-diyl diacetate","pentane-1,5-diyl diacetate",CC(=O)OCCCCCOC(=O)C,CC(=O)OCCCCCOC(=O)C,"InChI=1/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3",C9H16O4,,,,,,PIJBVCVBCQOWMM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.429,230-171-9,6965-76-0,[3-chloro-1-(1-methylethoxy)propyl]benzene,(3-chloro-1-isopropoxypropyl)benzene,CC(C)OC(CCCl)c1ccccc1,CC(C)OC(CCCl)c1ccccc1,"InChI=1/C12H17ClO/c1-10(2)14-12(8-9-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3",C12H17ClO,,,,,,TZGSPUYRMKYMEN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.432,230-175-0,5/10/6966,"3,4-dimethylbenzyl alcohol","(3,4-dimethylphenyl)methanol",Cc1ccc(CO)cc1C,Cc1ccc(CO)cc1C,"InChI=1/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3",C9H12O,,,,,,OKGZCXPDJKKZAP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.433,230-176-6,6966-64-9,4-(4-aminophenylazo)phenylarsonic acid,{4-[(4-aminophenyl)diazenyl]phenyl}arsonic acid,O[As](O)(=O)c2ccc(N=Nc1ccc(N)cc1)cc2,O[As](O)(=O)c2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C12H12AsN3O3/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17,18)19/h1-8H,14H2,(H2,17,18,19)",C12H12AsN3O3,,,,,,DOEADYYICZVJDD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.434,230-177-1,6967-12-0,Indazol-6-ylamine,2H-indazol-6-amine,Nc1ccc2c[nH]nc2c1,Nc1ccc2c[nH]nc2c1,"InChI=1/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)",C7H7N3,,,,,,KEJFADGISRFLFO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.187,226-606-7,5436-77-1,"2-[1-(benzylidene)hexyl]-4-methyl-1,3-dioxolane","2-(1-benzylidenehexyl)-4-methyl-1,3-dioxolane",CC1COC(O1)C(CCCCC)=Cc2ccccc2,CC1COC(O1)C(CCCCC)=Cc2ccccc2,"InChI=1/C17H24O2/c1-3-4-6-11-16(17-18-13-14(2)19-17)12-15-9-7-5-8-10-15/h5,7-10,12,14,17H,3-4,6,11,13H2,1-2H3",C17H24O2,,,,,,ZPFONCVCIDIULW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.189,226-608-8,5437-25-2,"3,7-dihydro-1H-purine-2,6-dithione","3,9-dihydro-1H-purine-2,6-dithione",S=C1NC(=S)c2nc[nH]c2N1,S=C1NC(=S)c2nc[nH]c2N1,"InChI=1/C5H4N4S2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",C5H4N4S2,,,,,,VQPMXSMUUILNFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.193,226-613-5,5437-46-7,4-phenylcyclohexan-1-ol,4-phenylcyclohexanol,OC1CCC(CC1)c2ccccc2,OC1CCC(CC1)c2ccccc2,"InChI=1/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2",C12H16O,,,,,,YVVUSIMLVPJXMY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.196,226-616-1,3/07/5438,2-amino-2-phenylbutyric acid,2-amino-2-phenylbutanoic acid,CCC(N)(C(=O)O)c1ccccc1,CCC(N)(C(=O)O)c1ccccc1,"InChI=1/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)",C10H13NO2,,,,,,UBXUDSPYIGPGGP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.197,226-617-7,5438-36-8,5-iodovanillin,4-hydroxy-3-iodo-5-methoxybenzaldehyde,COc1cc(C=O)cc(I)c1O,COc1cc(C=O)cc(I)c1O,"InChI=1/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3",C8H7IO3,,,,,,FBBCSYADXYILEH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.202,226-622-4,5440-04-0,4-chlorophenylarsonic acid,(4-chlorophenyl)arsonic acid,O[As](=O)(O)c1ccc(Cl)cc1,O[As](=O)(O)c1ccc(Cl)cc1,"InChI=1/C6H6AsClO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,(H2,9,10,11)",C6H6AsClO3,,,,,,OAKWMQGNBGGJGT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.203,226-624-5,5440-82-4,Indan-5-yl acetate,"2,3-dihydro-1H-inden-5-yl acetate",CC(=O)Oc1ccc2CCCc2c1,CC(=O)Oc1ccc2CCCc2c1,"InChI=1/C11H12O2/c1-8(12)13-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3",C11H12O2,,,,,,RVAZTALKWVETPN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.204,226-625-0,5440-83-5,Tetrahydro-2H-pyran-2-methyl acetate,tetrahydro-2H-pyran-2-ylmethyl acetate,CC(=O)OCC1CCCCO1,CC(=O)OCC1CCCCO1,"InChI=1/C8H14O3/c1-7(9)11-6-8-4-2-3-5-10-8/h8H,2-6H2,1H3",C8H14O3,,,,,,PQIWIDSTJDBALT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.210,226-631-3,5441-56-5,4-tert-pentylcyclohexyl acetate,"4-(1,1-dimethylpropyl)cyclohexyl acetate",CCC(C)(C)C1CCC(CC1)OC(=O)C,CCC(C)(C)C1CCC(CC1)OC(=O)C,"InChI=1/C13H24O2/c1-5-13(3,4)11-6-8-12(9-7-11)15-10(2)14/h11-12H,5-9H2,1-4H3",C13H24O2,,,,,,NOFDWXVEAPTHCT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.215,226-637-6,5443-49-2,2-bromocinnamaldehyde,3-(2-bromophenyl)acrylaldehyde,Brc1ccccc1\\C=C\\C=O,Brc1ccccc1\C=C\C=O,InChI=1/C9H7BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H,C9H7BrO,,,,,,NIDKLBQFMCVZKV-HWKANZROSA-N,,,,,,,,,,,
100.024.219,226-641-8,5444-75-7,2-ethylhexyl benzoate,2-ethylhexyl benzoate,CCCCC(CC)COC(=O)c1ccccc1,CCCCC(CC)COC(=O)c1ccccc1,"InChI=1/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3",C15H22O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11596,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.219,UADWUILHKRXHMM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.052,230-857-8,7342-13-4,"4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid}",COc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(OC)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,COc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(OC)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,"InChI=1/C34H30N10O8S2/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44)",C34H30N10O8S2,,,,,,ONAMMOQWYFWXJY-BUHFOSPRSA-N,,,,,,,,,,,
100.028.059,230-865-1,7345-69-9,Disodium tetrathioperoxycarbonate,disodium disulfan-2-idecarbodithioate,[Na+].[Na+].[S-]SC(=S)[S-],[Na+].[Na+].[S-]SC(=S)[S-],"InChI=1/CH2S4.2Na/c2-1(3)5-4;;/h4H,(H,2,3);;/q;2*+1/p-2",CH2S4.2Na,,,,,,HZBLLTXMVMMHRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.028.070,230-877-7,7347-35-5,N-(2-aminoethyl)ethylenediamine acetate,"N-(2-aminoethyl)ethane-1,2-diamine acetate",CC(=O)O.NCCNCCN,CC(=O)O.NCCNCCN,"InChI=1/C4H13N3.C2H4O2/c5-1-3-7-4-2-6;1-2(3)4/h7H,1-6H2;1H3,(H,3,4)",C4H13N3.xC2H4O2,,,,,,PBJZEKIRGDSGMN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.039,226-443-1,5400-82-8,"N,N-dimethylbenzylamine N-oxide",benzyl(dimethyl)amine oxide,C[N+](C)([O-])Cc1ccccc1,C[N+](C)([O-])Cc1ccccc1,"InChI=1/C9H13NO/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",C9H13NO,,,,,,UJZXIGKNPLTUOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.043,226-447-3,5401-14-9,Diphenyl (isothiocyanato)phosphate,diphenyl isothiocyanatophosphate,O=P(Oc1ccccc1)(Oc2ccccc2)N=C=S,O=P(Oc1ccccc1)(Oc2ccccc2)N=C=S,"InChI=1/C13H10NO3PS/c15-18(14-11-19,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H",C13H10NO3PS,,,,,,QYGWFFSAYBRMHH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.047,226-452-0,5402-55-1,Thiophen-2-ethanol,2-(2-thienyl)ethanol,OCCc1cccs1,OCCc1cccs1,"InChI=1/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2",C6H8OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12422,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.047,VMJOFTHFJMLIKL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.051,226-456-2,5405-41-4,Ethyl 3-hydroxybutyrate,ethyl 3-hydroxybutanoate,CCOC(=O)CC(C)O,CCOC(=O)CC(C)O,"InChI=1/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,OMSUIQOIVADKIM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.060,226-466-7,5406-58-6,"2,5,5-trimethyl-2-phenyl-1,3-dioxane","2,5,5-trimethyl-2-phenyl-1,3-dioxane",CC1(C)COC(C)(OC1)c2ccccc2,CC1(C)COC(C)(OC1)c2ccccc2,"InChI=1/C13H18O2/c1-12(2)9-14-13(3,15-10-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3",C13H18O2,,,,,,AALXTPRRKXUUOM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.062,226-468-8,5407-46-5,"2,6,7-trihydroxy-9-methylxanthen-3-one","2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one",CC1=C2C=C(O)C(=O)C=C2Oc3cc(O)c(O)cc13,CC1=C2C=C(O)C(=O)C=C2Oc3cc(O)c(O)cc13,"InChI=1/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3",C14H10O5,,,,,,TZVNNUHRZXQCHM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.070,226-477-7,5409-15-4,4-chloro-1-hydroxy-2-naphthoic acid,4-chloro-1-hydroxy-2-naphthoic acid,OC(=O)c1cc(Cl)c2ccccc2c1O,OC(=O)c1cc(Cl)c2ccccc2c1O,"InChI=1/C11H7ClO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)",C11H7ClO3,,,,,,XRWGZDGUXYNIOS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.076,226-484-5,5410-16-2,1-butylimidazolidine-2-thione,1-butylimidazolidine-2-thione,CCCCN1CCNC1=S,CCCCN1CCNC1=S,"InChI=1/C7H14N2S/c1-2-3-5-9-6-4-8-7(9)10/h2-6H2,1H3,(H,8,10)",C7H14N2S,,,,,,CUKQFZDGLCFERQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.077,226-485-0,5410-29-7,2-nitrophenylarsonic acid,(2-nitrophenyl)arsonic acid,O[As](=O)(O)c1ccccc1[N+](=O)[O-],O[As](=O)(O)c1ccccc1[N+](=O)[O-],"InChI=1/C6H6AsNO5/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4H,(H2,9,10,11)",C6H6AsNO5,,,,,,UYEDGVZDGVIURN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.079,226-487-1,1/12/5411,Phenyl (3-phenyloxiranyl) ketone,phenyl(3-phenyloxiran-2-yl)methanone,O=C(C1OC1c2ccccc2)c3ccccc3,O=C(C1OC1c2ccccc2)c3ccccc3,"InChI=1/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H",C15H12O2,,,,,,UQGMJZQVDNZRKT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.649,230-413-3,7109-27-5,"4,4',4''-(1-vinyl-2-ylidene)trianisole","1,1',1''-ethene-1,1,2-triyltris(4-methoxybenzene)",COc1ccc(C=C(c2ccc(OC)cc2)c3ccc(OC)cc3)cc1,COc1ccc(C=C(c2ccc(OC)cc2)c3ccc(OC)cc3)cc1,"InChI=1/C23H22O3/c1-24-20-10-4-17(5-11-20)16-23(18-6-12-21(25-2)13-7-18)19-8-14-22(26-3)15-9-19/h4-16H,1-3H3",C23H22O3,,,,,,DMGVRXGFVGFXGC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.651,230-415-4,6/03/7114,"4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-N,N-dimethylanilinium bromide chloride, compound with zinc chloride","4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-N,N-dimethylanilinium bromide chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].[Br-].CC[N+](C)(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,[Cl-].[Cl-].[Cl-].[Zn+2].[Br-].CC[N+](C)(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,"InChI=1/C27H35N3.BrH.3ClH.Zn/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5;;;;;/h9-20H,8H2,1-7H3;4*1H;/q+2;;;;;+2/p-4",C27H35N3.Br.xCl2Zn.Cl,,,,,,RRKSQWOQZFIQKW-UHFFFAOYSA-J,,,,,,,,,,,
100.027.654,230-419-6,7116-86-1,"5,5-dimethylhex-1-ene","5,5-dimethylhex-1-ene",CC(C)(C)CCC=C,CC(C)(C)CCC=C,"InChI=1/C8H16/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3",C8H16,,,,,,KZJIOVQKSAOPOP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.656,230-421-7,7116-96-3,4-pentylbiphenyl,4-pentylbiphenyl,CCCCCc1ccc(cc1)c2ccccc2,CCCCCc1ccc(cc1)c2ccccc2,"InChI=1/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3",C17H20,,,,,,IFUOTAQBVGAZPR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.312,206-942-0,402-42-6,"p-fluoro-a,a,a-trichlorotoluene",1-fluoro-4-(trichloromethyl)benzene,Fc1ccc(cc1)C(Cl)(Cl)Cl,Fc1ccc(cc1)C(Cl)(Cl)Cl,"InChI=1/C7H4Cl3F/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H",C7H4Cl3F,,,,,,XOJYLEJZALFLLW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.315,206-945-7,402-45-9,"a,a,a-trifluoro-p-cresol",4-(trifluoromethyl)phenol,Oc1ccc(cc1)C(F)(F)F,Oc1ccc(cc1)C(F)(F)F,"InChI=1/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H",C7H5F3O,,,,,,BAYGVMXZJBFEMB-UHFFFAOYSA-N,Negative,,,,,,AU200951|AU200952|AU200953;EA067351|EA067352|EA067353|EA067354|EA067355|EA067356|EA067357|EA067358|EA067359|EA067360|EA067361|EA067362|EA067363,[M-H]-;[M-H]-,CID10|CID20|CID30;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,161.0238:162.0274:141.0167|161.0246:141.0184:121.0113|121.0113:141.0174;161.0222:141.0156|161.022|161.0217|161.0218:141.0157|161.0217:141.0155:121.0092|161.0225:121.0094:141.0157|121.0095:73.0084:141.0159|161.0219|161.0219|161.0219:141.0156:121.0093|161.0217:141.0156:121.0094|161.022:121.0094:141.0157|121.0093:161.0224:73.0083,Athens_Univ;Eawag
100.006.317,206-947-8,402-49-3,1-(bromomethyl)-4-(trifluoromethyl)benzene,1-(bromomethyl)-4-(trifluoromethyl)benzene,FC(F)(F)c1ccc(CBr)cc1,FC(F)(F)c1ccc(CBr)cc1,"InChI=1/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2",C8H6BrF3,,,,,,IKSNDOVDVVPSMA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.320,206-950-4,402-63-1,3-fluoro-a-methylbenzyl alcohol,1-(3-fluorophenyl)ethanol,CC(O)c1cccc(F)c1,CC(O)c1cccc(F)c1,"InChI=1/C8H9FO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3",C8H9FO,,,,,,YESOPGLEIJQAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.321,206-952-5,402-64-2,1-(dichloromethyl)-3-fluorobenzene,1-(dichloromethyl)-3-fluorobenzene,Fc1cccc(c1)C(Cl)Cl,Fc1cccc(c1)C(Cl)Cl,"InChI=1/C7H5Cl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H",C7H5Cl2F,,,,,,MVRCPAOYPLZMLB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.323,206-954-6,402-71-1,L-chloromethyl (2-phenyl-1-(p-toluenesulphonylamino)ethyl) ketone,N-(1-benzyl-3-chloro-2-oxopropyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl,Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl,"InChI=1/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3",C17H18ClNO3S,,,,,,MQUQNUAYKLCRME-UHFFFAOYSA-N,,,,,,,,,,,
100.006.326,206-957-2,403-39-4,p-fluorocumene,1-fluoro-4-isopropylbenzene,CC(C)c1ccc(F)cc1,CC(C)c1ccc(F)cc1,"InChI=1/C9H11F/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3",C9H11F,,,,,,XZISOEPNTDOUEA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.327,206-958-8,403-40-7,4-fluoro-a-methylbenzylamine,1-(4-fluorophenyl)ethanamine,CC(N)c1ccc(F)cc1,CC(N)c1ccc(F)cc1,"InChI=1/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3",C8H10FN,,,,,,QGCLEUGNYRXBMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.328,206-959-3,403-41-8,4-fluoro-a-methylbenzyl alcohol,1-(4-fluorophenyl)ethanol,CC(O)c1ccc(F)cc1,CC(O)c1ccc(F)cc1,"InChI=1/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3",C8H9FO,,,,,,PSDSORRYQPTKSV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.329,206-960-9,403-42-9,4-fluoroacetophenone,1-(4-fluorophenyl)ethanone,CC(=O)c1ccc(F)cc1,CC(=O)c1ccc(F)cc1,"InChI=1/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",C8H7FO,,,,,,ZDPAWHACYDRYIW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.331,206-963-5,403-54-3,3-fluorobenzonitrile,3-fluorobenzonitrile,Fc1cccc(c1)C#N,Fc1cccc(c1)C#N,InChI=1/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,C7H4FN,,,,,,JZTPKAROPNTQQV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.332,206-964-0,403-90-7,3-fluoro-DL-tyrosine,3-fluoro-L-tyrosine,Fc1cc(C[C@H](N)C(O)=O)ccc1O,Fc1cc(C[C@H](N)C(O)=O)ccc1O,"InChI=1/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)",C9H10FNO3,,,,,,VIIAUOZUUGXERI-ZETCQYMHSA-N,,,,,,,,,,,
100.006.336,206-968-2,404-82-0,Fenfluramine hydrochloride,N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride,Cl.CCNC(C)Cc1cccc(c1)C(F)(F)F,Cl.CCNC(C)Cc1cccc(c1)C(F)(F)F,"InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H",C12H16F3N.ClH,,,,,,ZXKXJHAOUFHNAS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.349,206-982-9,407-25-0,Trifluoroacetic anhydride,trifluoroacetic anhydride,FC(F)(F)C(=O)OC(=O)C(F)(F)F,FC(F)(F)C(=O)OC(=O)C(F)(F)F,"InChI=1/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10",C4F6O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10848,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.349,QAEDZJGFFMLHHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.351,206-985-5,407-38-5,"2,2,2-trifluoroethyl trifluoroacetate","2,2,2-trifluoroethyl trifluoroacetate",FC(F)(F)COC(=O)C(F)(F)F,FC(F)(F)COC(=O)C(F)(F)F,"InChI=1/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2",C4H2F6O2,,,,,,ZKUJOCJJXCPCFS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.358,206-992-3,420-04-2,Cyanamide,cyanamide,NC#N,NC#N,InChI=1/CH2N2/c2-1-3/h2H2,CH2N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15823,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.358,XZMCDFZZKTWFGF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.359,206-993-9,420-12-2,Epithioethane,thiirane,C1CS1,C1CS1,InChI=1/C2H4S/c1-2-3-1/h1-2H2,C2H4S,,,,,,VOVUARRWDCVURC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.360,206-994-4,420-37-1,Trimethyloxonium tetrafluoroborate(1-),trimethyloxonium tetrafluoroborate,C[O+](C)C.F[B-](F)(F)F,C[O+](C)C.F[B-](F)(F)F,"InChI=1/C3H9O.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1",C3H9O.BF4,,,,,,CZVZBKHWOFJNCR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.733,210-705-7,621-77-2,Tripentylamine,"N,N-dipentylpentan-1-amine",CCCCCN(CCCCC)CCCCC,CCCCCN(CCCCC)CCCCC,"InChI=1/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3",C15H33N,,,,,,OOHAUGDGCWURIT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.086,230-895-5,7359-19-5,Bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) adipate,bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) adipate,O=C(CCCCC(=O)OCC1CC2CC1C=C2)OCC3CC4CC3C=C4,O=C(CCCCC(=O)OCC1CC2CC1C=C2)OCC3CC4CC3C=C4,"InChI=1/C22H30O4/c23-21(25-13-19-11-15-5-7-17(19)9-15)3-1-2-4-22(24)26-14-20-12-16-6-8-18(20)10-16/h5-8,15-20H,1-4,9-14H2",C22H30O4,,,,,,RJNJIAYRAOAFLX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.098,230-907-9,7365-45-9,4-(2-hydroxyethyl)piperazin-1-ylethanesulphonic acid,2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid,OCCN1CCN(CC1)CCS(O)(=O)=O,OCCN1CCN(CC1)CCS(O)(=O)=O,"InChI=1/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)",C8H18N2O4S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13322,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.098,JKMHFZQWWAIEOD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.108,230-918-9,7367-88-6,Ethyl (E)-2-decenoate,ethyl dec-2-enoate,CCCCCCC\\C=C\\C(=O)OCC,CCCCCCC\C=C\C(=O)OCC,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,GNJARWZWODMTDR-ZHACJKMWSA-N,,,,,,,,,,,
100.028.118,230-929-9,7372-92-1,7-methyl-1H-indene,7-methyl-1H-indene,Cc1cccc2C=CCc12,Cc1cccc2C=CCc12,"InChI=1/C10H10/c1-8-4-2-5-9-6-3-7-10(8)9/h2-6H,7H2,1H3",C10H10,,,,,,BSFFHHPGSJXWFP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.123,230-935-1,7376-52-5,"1,5-dihydroxy-4,8-bis[ß-[2-(2-hydroxyethoxy)ethoxy]-p-phenetidino]anthraquinone","1,5-dihydroxy-4,8-bis[(4-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}phenyl)amino]-9,10-anthraquinone",OCCOCCOCCOc1ccc(Nc2ccc(O)c3C(=O)c4c(Nc5ccc(OCCOCCOCCO)cc5)ccc(O)c4C(=O)c23)cc1,OCCOCCOCCOc1ccc(Nc2ccc(O)c3C(=O)c4c(Nc5ccc(OCCOCCOCCO)cc5)ccc(O)c4C(=O)c23)cc1,"InChI=1/C38H42N2O12/c41-13-15-47-17-19-49-21-23-51-27-5-1-25(2-6-27)39-29-9-11-31(43)35-33(29)37(45)36-32(44)12-10-30(34(36)38(35)46)40-26-3-7-28(8-4-26)52-24-22-50-20-18-48-16-14-42/h1-12,39-44H,13-24H2",C38H42N2O12,,,,,,CSTONOUGGVBVQC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.085,226-493-4,5412-25-9,"Bis(2,3-dibromopropyl) hydrogen phosphate","bis(2,3-dibromopropyl) hydrogen phosphate",OP(=O)(OCC(Br)CBr)OCC(Br)CBr,OP(=O)(OCC(Br)CBr)OCC(Br)CBr,"InChI=1/C6H11Br4O4P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2,(H,11,12)",C6H11Br4O4P,,,,,,CBPKIOGAUWKEFT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.090,226-499-7,5412-98-6,Ditetradecyl ether,"1,1'-oxyditetradecane",CCCCCCCCCCCCCCOCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOCCCCCCCCCCCCCC,"InChI=1/C28H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C28H58O,,,,,,HANWHVWXFQSQGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.091,226-500-0,8/05/5413,Ethyl acetylphenylacetate,ethyl 3-oxo-2-phenylbutanoate,CCOC(=O)C(C(=O)C)c1ccccc1,CCOC(=O)C(C(=O)C)c1ccccc1,"InChI=1/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3",C12H14O3,,,,,,PWRUKIPYVGHRFL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.092,226-501-6,5413-60-5,"3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate",CC(=O)OC1CC2CC1C3CC=CC23,CC(=O)OC1CC2CC1C3CC=CC23,"InChI=1/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",C12H16O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8567,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.092,RGVQNSFGUOIKFF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.094,226-503-7,5413-85-4,"4,6-dichloropyrimidin-5-ylamine","4,6-dichloropyrimidin-5-amine",Nc1c(Cl)ncnc1Cl,Nc1c(Cl)ncnc1Cl,"InChI=1/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2",C4H3Cl2N3,,,,,,NIGDWBHWHVHOAD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.096,226-505-8,5414-21-1,5-bromopentanenitrile,5-bromopentanenitrile,BrCCCCC#N,BrCCCCC#N,InChI=1/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2,C5H8BrN,,,,,,NWWWGAKVHCSAEU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.109,226-519-4,5417-63-0,3-amino-2-naphthol,3-amino-2-naphthol,Nc1cc2ccccc2cc1O,Nc1cc2ccccc2cc1O,"InChI=1/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2",C10H9NO,,,,,,ZHVPTERSBUMMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.110,226-521-5,5417-82-3,(1-ethoxyethylidene)malononitrile,(1-ethoxyethylidene)malononitrile,CCOC(=C(C#N)C#N)C,CCOC(=C(C#N)C#N)C,"InChI=1/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3",C7H8N2O,,,,,,BOSVWXDDFBSSIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.116,226-527-8,5418-95-1,1-(benzimidazol-2-yl)guanidine,1-(1H-benzimidazol-2-yl)guanidine,NC(=N)Nc1nc2ccccc2[nH]1,NC(=N)Nc1nc2ccccc2[nH]1,"InChI=1/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)",C8H9N5,,,,,,JJWCTKUQWXYIIU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.117,226-528-3,5419-00-1,5-ethyl-1-phenylbarbituric acid,"5-ethyl-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1C(=O)NC(=O)N(C1=O)c2ccccc2,CCC1C(=O)NC(=O)N(C1=O)c2ccccc2,"InChI=1/C12H12N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,13,15,17)",C12H12N2O3,,,,,,IEZTZCXBBTUQMD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.118,226-529-9,5419-55-6,Triisopropyl borate,triisopropyl borate,CC(C)OB(OC(C)C)OC(C)C,CC(C)OB(OC(C)C)OC(C)C,"InChI=1/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3",C9H21BO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1764,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.118,NHDIQVFFNDKAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.121,226-533-0,5420-79-1,Tris(amidinouronium) phosphate,tris{amino-N-[amino(hydroxy)methylene]iminomethanaminium} phosphate,NC(=[NH+]C(=N)N)O.NC(=[NH+]C(=N)N)O.NC(=[NH+]C(=N)N)O.[O-]P(=O)([O-])[O-],NC(=[NH+]C(=N)N)O.NC(=[NH+]C(=N)N)O.NC(=[NH+]C(=N)N)O.[O-]P(=O)([O-])[O-],"InChI=1/3C2H6N4O.H3O4P/c3*3-1(4)6-2(5)7;1-5(2,3)4/h3*(H6,3,4,5,6,7);(H3,1,2,3,4)",C2H6N4O.1/3H3O4P,,,,,,CXFAOJNAGIRHGI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.225,226-648-6,5445-31-8,2-methylnonan-3-one,2-methylnonan-3-one,CCCCCCC(=O)C(C)C,CCCCCCC(=O)C(C)C,"InChI=1/C10H20O/c1-4-5-6-7-8-10(11)9(2)3/h9H,4-8H2,1-3H3",C10H20O,,,,,,OPZBFCHDGBPBRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.232,226-655-4,5445-86-3,2-acetylphenyl p-anisate,2-acetylphenyl 4-methoxybenzoate,COc1ccc(cc1)C(=O)Oc2ccccc2C(=O)C,COc1ccc(cc1)C(=O)Oc2ccccc2C(=O)C,"InChI=1/C16H14O4/c1-11(17)14-5-3-4-6-15(14)20-16(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3",C16H14O4,,,,,,KPHKQJNWBUZGCV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.235,226-659-6,5446-18-4,"(2,4-dichlorophenyl)hydrazine monohydrochloride","(2,4-dichlorophenyl)hydrazine hydrochloride",Cl.NNc1ccc(Cl)cc1Cl,Cl.NNc1ccc(Cl)cc1Cl,"InChI=1/C6H6Cl2N2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H",C6H6Cl2N2.ClH,,,,,,DDWYGJVFURAIJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.236,226-660-1,5446-58-2,N-(2-carboxyethyl)-N-[(4-methylphenyl)sulphonyl]-ß-alanine,"3,3'-{[(4-methylphenyl)sulfonyl]imino}dipropanoic acid (non-preferred name)",Cc1ccc(cc1)S(=O)(=O)N(CCC(=O)O)CCC(=O)O,Cc1ccc(cc1)S(=O)(=O)N(CCC(=O)O)CCC(=O)O,"InChI=1/C13H17NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)",C13H17NO6S,,,,,,LBANXBGLPMAEBA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.237,226-661-7,5446-92-4,2-methoxy-5-nitropyridine,2-methoxy-5-nitropyridine,COc1ccc(cn1)[N+](=O)[O-],COc1ccc(cn1)[N+](=O)[O-],"InChI=1/C6H6N2O3/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3",C6H6N2O3,,,,,,WUPLOZFIOAEYMG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.831,230-614-6,7218-46-4,"N,N'-bis(phenylsulphonyl)biphenyl-4,4'-disulphonamide","N,N'-bis(phenylsulfonyl)biphenyl-4,4'-disulfonamide",O=S(=O)(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NS(=O)(=O)c3ccccc3)c4ccccc4,O=S(=O)(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NS(=O)(=O)c3ccccc3)c4ccccc4,"InChI=1/C24H20N2O8S4/c27-35(28,21-7-3-1-4-8-21)25-37(31,32)23-15-11-19(12-16-23)20-13-17-24(18-14-20)38(33,34)26-36(29,30)22-9-5-2-6-10-22/h1-18,25-26H",C24H20N2O8S4,,,,,,IISDMBNJXWPOIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.838,230-621-4,7223-50-9,N-prop-2-ynylphthalimide,"2-prop-2-yn-1-yl-1H-isoindole-1,3(2H)-dione",O=C1N(CC#C)C(=O)c2ccccc12,O=C1N(CC#C)C(=O)c2ccccc12,"InChI=1/C11H7NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2",C11H7NO2,,,,,,PAZCLCHJOWLTGA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.841,230-625-6,7226-23-5,"Tetrahydro-1,3-dimethyl-1H-pyrimidin-2-one","1,3-dimethyltetrahydropyrimidin-2(1H)-one",CN1CCCN(C)C1=O,CN1CCCN(C)C1=O,"InChI=1/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3",C6H12N2O,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11391,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.841,GUVUOGQBMYCBQP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.850,230-635-0,7234-48-2,Sodium 6-acetamidohexanoate,sodium 6-acetamidohexanoate,[Na+].CC(=O)NCCCCCC(=O)[O-],[Na+].CC(=O)NCCCCCC(=O)[O-],"InChI=1/C8H15NO3.Na/c1-7(10)9-6-4-2-3-5-8(11)12;/h2-6H2,1H3,(H,9,10)(H,11,12);/q;+1/p-1",C8H15NO3.Na,,,,,,UIEHVVUIWRNUKL-UHFFFAOYSA-M,,,,,,,,,,,
100.027.856,230-641-3,4/11/7241,"1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate","3-acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1)",CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)CNc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)CNc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C12H11I3N2O4.C7H17NO5/c1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h16H,3H2,1-2H3,(H,17,19)(H,20,21);4-13H,2-3H2,1H3",C12H11I3N2O4.C7H17NO5,,,,,,CNWMHJDPDNXQPH-WZTVWXICSA-N,,,,,,,,,,,
100.027.861,230-647-6,7242-92-4,Exo-2-bornanamine,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine",CC1(C)[C@H]2CC[C@]1(C)[C@@H](N)C2,CC1(C)[C@H]2CC[C@]1(C)[C@@H](N)C2,"InChI=1/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3",C7H13N,,,,,,MDFWXZBEVCOVIO-OYNCUSHFSA-N,,,,,,,,,,,
100.027.866,230-652-3,7246-20-0,"Sodium 2,2,2-trichloroethyl hydrogen phosphate","sodium 2,2,2-trichloroethyl hydrogen phosphate",[Na+].ClC(Cl)(Cl)COP([O-])(=O)O,[Na+].ClC(Cl)(Cl)COP([O-])(=O)O,"InChI=1/C2H4Cl3O4P.Na/c3-2(4,5)1-9-10(6,7)8;/h1H2,(H2,6,7,8);/q;+1/p-1",C2H4Cl3O4P.Na,,,,,,WFKJEZKHPGDCRK-UHFFFAOYSA-M,,,,,,,,,,,
100.027.868,230-654-4,7248-16-0,"2,3-bis(4-methoxyphenyl)quinoxaline","2,3-bis(4-methoxyphenyl)quinoxaline",COc1ccc(cc1)c2nc3ccccc3nc2c4ccc(OC)cc4,COc1ccc(cc1)c2nc3ccccc3nc2c4ccc(OC)cc4,"InChI=1/C22H18N2O2/c1-25-17-11-7-15(8-12-17)21-22(16-9-13-18(26-2)14-10-16)24-20-6-4-3-5-19(20)23-21/h3-14H,1-2H3",C22H18N2O2,,,,,,JMLIBSAYWRQXIV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.597,227-056-0,5624-27-1,5-oxo-1-phenyl-2-thioxoimidazolidine-4-propionic acid,3-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)propanoic acid,OC(=O)CCC1NC(=S)N(C1=O)c2ccccc2,OC(=O)CCC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)",C12H12N2O3S,,,,,,ULKNJYDXLYMGFB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.602,227-061-8,5625-80-9,N-[2-(4-morpholinyl)ethyl]ethylenediamine,"N-(2-morpholin-4-ylethyl)ethane-1,2-diamine",NCCNCCN1CCOCC1,NCCNCCN1CCOCC1,"InChI=1/C8H19N3O/c9-1-2-10-3-4-11-5-7-12-8-6-11/h10H,1-9H2",C8H19N3O,,,,,,KUURLBXQZULKFE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.659,230-424-3,7121-10-0,"2-[N-(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-3-naphthyl acetate","3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-2-naphthyl acetate",COc1cc(NC(=O)c2cc3ccccc3cc2OC(=O)C)c(OC)cc1Cl,COc1cc(NC(=O)c2cc3ccccc3cc2OC(=O)C)c(OC)cc1Cl,"InChI=1/C21H18ClNO5/c1-12(24)28-18-9-14-7-5-4-6-13(14)8-15(18)21(25)23-17-11-19(26-2)16(22)10-20(17)27-3/h4-11H,1-3H3,(H,23,25)",C21H18ClNO5,,,,,,JICRDMOKQCCJEN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.660,230-425-9,7125-76-0,Codoxime,"{[(3-methoxy-17-methyl-4,5-epoxymorphinan-6-ylidene)amino]oxy}acetic acid",OC(=O)CON=C1CC[C@H]5[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CCN2C)c34,OC(=O)CON=C1CC[C@H]5[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CCN2C)c34,"InChI=1/C20H24N2O5/c1-22-8-7-20-12-4-5-13(21-26-10-16(23)24)19(20)27-18-15(25-2)6-3-11(17(18)20)9-14(12)22/h3,6,12,14,19H,4-5,7-10H2,1-2H3,(H,23,24)",C20H24N2O5,,,,,,WKJYCUVUZIIMJA-HJWMAQEXSA-N,,,,,,,,,,,
100.027.671,230-437-4,8/02/7139,"2,6-dichloro-4,8-dipiperidinopyrimido[5,4-d]pyrimidine","2,6-dichloro-4,8-dipiperidin-1-ylpyrimido[5,4-d]pyrimidine",Clc1nc(N2CCCCC2)c3nc(Cl)nc(N4CCCCC4)c3n1,Clc1nc(N2CCCCC2)c3nc(Cl)nc(N4CCCCC4)c3n1,InChI=1/C16H20Cl2N6/c17-15-20-12-11(13(21-15)23-7-3-1-4-8-23)19-16(18)22-14(12)24-9-5-2-6-10-24/h1-10H2,C16H20Cl2N6,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6693,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.671,PCVJQTVUJJJSRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.672,230-439-5,7139-89-1,"2,5-diaminobenzene-1,4-disulphonic acid","2,5-diaminobenzene-1,4-disulfonic acid",Nc1cc(c(N)cc1S(=O)(=O)O)S(=O)(=O)O,Nc1cc(c(N)cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C6H8N2O6S2/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)",C6H8N2O6S2,,,,,,VOPSFYWMOIKYEM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.674,230-441-6,7142-72-5,Ethyl oxo[(phenylmethyl)amino]acetate,ethyl (benzylamino)(oxo)acetate,CCOC(=O)C(=O)NCc1ccccc1,CCOC(=O)C(=O)NCc1ccccc1,"InChI=1/C11H13NO3/c1-2-15-11(14)10(13)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)",C11H13NO3,,,,,,SWKANMPANJTPHP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.681,230-448-4,7144-22-1,"1,2,4-triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine","[1,2,4]triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine",Nc1nc(N)n2c(N)nnc2n1,Nc1nc(N)n2c(N)nnc2n1,"InChI=1/C4H6N8/c5-1-8-2(6)12-3(7)10-11-4(12)9-1/h(H2,7,10)(H4,5,6,8,9,11)",C4H6N8,,,,,,KMZCSSCUBKHIJS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.683,230-451-0,7144-65-2,"Biphenyl-2-yl 2,3-epoxypropyl ether",2-[(biphenyl-2-yloxy)methyl]oxirane,C(Oc1ccccc1c2ccccc2)C3CO3,C(Oc1ccccc1c2ccccc2)C3CO3,"InChI=1/C15H14O2/c1-2-6-12(7-3-1)14-8-4-5-9-15(14)17-11-13-10-16-13/h1-9,13H,10-11H2",C15H14O2,,,,,,DNVXWIINBUTFEP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.686,230-454-7,7146-15-8,Methyl D-valinate hydrochloride,methyl D-valinate hydrochloride,Cl.COC(=O)[C@H](N)C(C)C,Cl.COC(=O)[C@H](N)C(C)C,"InChI=1/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H",C6H13NO2.ClH,,,,,,KUGLDBMQKZTXPW-NUBCRITNSA-N,,,,,,,,,,,
100.027.687,230-455-2,7146-67-0,"N,N-bis(2-hydroxyethyl)-p-toluenesulphonamide","N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)N(CCO)CCO,Cc1ccc(cc1)S(=O)(=O)N(CCO)CCO,"InChI=1/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3",C11H17NO4S,,,,,,NHFJDXPINIIUQG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.688,230-456-8,7146-82-9,Ethyl 3-oxoicosanoate,ethyl 3-oxoicosanoate,CCCCCCCCCCCCCCCCCC(=O)CC(=O)OCC,CCCCCCCCCCCCCCCCCC(=O)CC(=O)OCC,"InChI=1/C22H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25-4-2/h3-20H2,1-2H3",C22H42O3,,,,,,ZSZUZHXUJXYSMM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.448,226-892-3,5535-73-9,1-[(2-chloroethyl)thio]-4-nitrobenzene,1-[(2-chloroethyl)sulfanyl]-4-nitrobenzene,[O-][N+](=O)c1ccc(SCCCl)cc1,[O-][N+](=O)c1ccc(SCCCl)cc1,"InChI=1/C8H8ClNO2S/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2",C8H8ClNO2S,,,,,,XSHHJXAFSBWTJU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.453,226-898-6,5538-41-0,"2-chloro-3,5-xylenol","2-chloro-3,5-dimethylphenol",Cc1cc(C)c(Cl)c(O)c1,Cc1cc(C)c(Cl)c(O)c1,"InChI=1/C8H9ClO/c1-5-3-6(2)8(9)7(10)4-5/h3-4,10H,1-2H3",C8H9ClO,,,,,,ZXPLGLMEXWSLCX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.458,226-903-1,5538-99-8,"N-decylpropane-1,3-diamine","N-decylpropane-1,3-diamine",CCCCCCCCCCNCCCN,CCCCCCCCCCNCCCN,"InChI=1/C13H30N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h15H,2-14H2,1H3",C13H30N2,,,,,,FHKWCXVXPHXBAC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.459,226-904-7,5540-60-3,N-(4-chloro-3-nitrophenyl)acetamide,N-(4-chloro-3-nitrophenyl)acetamide,CC(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-],CC(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C8H7ClN2O3/c1-5(12)10-6-2-3-7(9)8(4-6)11(13)14/h2-4H,1H3,(H,10,12)",C8H7ClN2O3,,,,,,QUMQBQADXFETJW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.463,226-908-9,5543-58-8,(R)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone,4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,"InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",C19H16O4,,,,,,PJVWKTKQMONHTI-UHFFFAOYSA-N,Positive/Negative,SM834702;UF404201|UF404202|UF404203|UF404204,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,163.0391:251.0705:309.1124;251.0702:163.039:183.0804|121.0284:163.039:155.0855|163.039:251.0704:147.0805|163.0389:251.0703:147.0804,CASMI_2016;UFZ,SM834752;UF404251|UF404252|UF404253|UF404254,[M-H]-;[M-H]-,HCD35;HCD55|HCD80|CID35|CID55,307.0975:161.0244:250.0636;307.0974|307.0973:161.0243:250.0636|161.0244:250.0635:117.0346|161.0244:250.0634:117.0346,CASMI_2016;UFZ
100.009.739,210-712-5,621-87-4,Phenoxyacetone,1-phenoxyacetone,CC(=O)COc1ccccc1,CC(=O)COc1ccccc1,"InChI=1/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3",C9H10O2,,,,,,QWAVNXZAQASOML-UHFFFAOYSA-N,,,,,,,,,,,
100.009.743,210-716-7,621-95-4,"4,4'-ethylenedianiline","4,4'-ethane-1,2-diyldianiline",Nc1ccc(CCc2ccc(N)cc2)cc1,Nc1ccc(CCc2ccc(N)cc2)cc1,"InChI=1/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2",C14H16N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15624,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.743,UHNUHZHQLCGZDA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.748,210-721-4,622-16-2,Diphenylcarbodiimide,"N,N'-diphenylcarbodiimide",c1ccc(cc1)N=C=Nc2ccccc2,c1ccc(cc1)N=C=Nc2ccccc2,InChI=1/C13H10N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,C13H10N2,,,,,,CMESPBFFDMPSIY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.755,210-729-8,622-34-4,Phenylcyanamide,phenylcyanamide,N#CNc1ccccc1,N#CNc1ccccc1,"InChI=1/C7H6N2/c8-6-9-7-4-2-1-3-5-7/h1-5,9H",C7H6N2,,,,,,JLXXLCJERIYMQG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.756,210-730-3,622-37-7,Azidobenzene,azidobenzene,[N-]=[N+]=Nc1ccccc1,[N-]=[N+]=Nc1ccccc1,InChI=1/C6H5N3/c7-9-8-6-4-2-1-3-5-6/h1-5H,C6H5N3,,,,,,CTRLRINCMYICJO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.759,210-734-5,622-40-2,2-morpholinoethanol,2-morpholin-4-ylethanol,OCCN1CCOCC1,OCCN1CCOCC1,"InChI=1/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2",C6H13NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9993,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.759,KKFDCBRMNNSAAW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.767,210-742-9,622-57-1,N-ethyl-p-toluidine,N-ethyl-4-methylaniline,CCNc1ccc(C)cc1,CCNc1ccc(C)cc1,"InChI=1/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3",C9H13N,,,,,,AASABFUMCBTXRL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.775,210-751-8,622-75-3,p-phenylenediacetonitrile,"2,2'-(1,4-phenylene)diacetonitrile",N#CCc1ccc(CC#N)cc1,N#CCc1ccc(CC#N)cc1,"InChI=1/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2",C10H8N2,,,,,,FUQCKESKNZBNOG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.777,210-753-9,622-78-6,Benzyl isothiocyanate,(isothiocyanatomethyl)benzene,S=C=NCc1ccccc1,S=C=NCc1ccccc1,"InChI=1/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2",C8H7NS,,,,,,MDKCFLQDBWCQCV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.778,210-754-4,622-80-0,N-propylaniline,N-propylaniline,CCCNc1ccccc1,CCCNc1ccccc1,"InChI=1/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3",C9H13N,,,,,,CDZOGLJOFWFVOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.783,210-760-7,622-95-7,1-(bromomethyl)-4-chlorobenzene,1-(bromomethyl)-4-chlorobenzene,Clc1ccc(CBr)cc1,Clc1ccc(CBr)cc1,"InChI=1/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",C7H6BrCl,,,,,,KQNBRMUBPRGXSL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.785,210-762-8,622-97-9,4-methylstyrene,1-methyl-4-vinylbenzene,Cc1ccc(C=C)cc1,Cc1ccc(C=C)cc1,"InChI=1/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3",C9H10,,,,,,JLBJTVDPSNHSKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.033,208-835-4,542-92-7,Cyclopentadiene,"cyclopenta-1,3-diene",C1C=CC=C1,C1C=CC=C1,"InChI=1/C5H6/c1-2-4-5-3-1/h1-4H,5H2",C5H6,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8092,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.033,ZSWFCLXCOIISFI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.048,208-852-7,543-87-3,Isopentyl nitrate,3-methylbutyl nitrate,CC(C)CCO[N+](=O)[O-],CC(C)CCO[N+](=O)[O-],"InChI=1/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3",C5H11NO3,,,,,,NTHGIYFSMNNHSC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.057,208-862-1,544-16-1,Butyl nitrite,butyl nitrite,CCCCON=O,CCCCON=O,"InChI=1/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3",C4H9NO2,,,,,,JQJPBYFTQAANLE-UHFFFAOYSA-N,,,,,,,,,,,
100.008.061,208-866-3,544-25-2,Cycloheptatriene,"cyclohepta-1,3,5-triene",C1C=CC=CC=C1,C1C=CC=CC=C1,"InChI=1/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2",C7H8,,,,,,CHVJITGCYZJHLR-UHFFFAOYSA-N,,,,,,,,,,,
100.008.073,208-879-4,544-77-4,1-iodohexadecane,1-iodohexadecane,CCCCCCCCCCCCCCCCI,CCCCCCCCCCCCCCCCI,"InChI=1/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3",C16H33I,,,,,,KMWHQYDMBYABKL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.074,208-881-5,544-85-4,Dotriacontane,dotriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C32H66,,,,,,QHMGJGNTMQDRQA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.077,208-884-1,544-97-8,Dimethylzinc,dimethylzinc,C[Zn]C,C[Zn]C,InChI=1/2CH3.Zn/h2*1H3;/rC2H6Zn/c1-3-2/h1-2H3,C2H6Zn,,,,,,AXAZMDOAUQTMOW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.079,208-886-2,545-26-6,"3-ß,14,16-ß-trihydroxy-5-ß,14-ß-card-20(22)-enolide","3,14,16-trihydroxycard-20(22)-enolide",CC12CCC(O)CC1CCC3C2CCC4(C)C(C(O)CC34O)C5=CC(=O)OC5,CC12CCC(O)CC1CCC3C2CCC4(C)C(C(O)CC34O)C5=CC(=O)OC5,"InChI=1/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3",C23H34O5,,,,,,PVAMXWLZJKTXFW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.122,226-534-6,5421-00-1,(tetrahydrofuryl)methyl phenylacetate,tetrahydrofuran-2-ylmethyl phenylacetate,O=C(Cc1ccccc1)OCC2CCCO2,O=C(Cc1ccccc1)OCC2CCCO2,"InChI=1/C13H16O3/c14-13(9-11-5-2-1-3-6-11)16-10-12-7-4-8-15-12/h1-3,5-6,12H,4,7-10H2",C13H16O3,,,,,,WFCXNQRMOLKRMG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.699,230-468-3,2/10/7149,4-aminomethyl-2-methoxyphenol hydrochloride,4-(aminomethyl)-2-methoxyphenol hydrochloride,Cl.COc1cc(CN)ccc1O,Cl.COc1cc(CN)ccc1O,"InChI=1/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H",C8H11NO2.ClH,,,,,,PUDMGOSXPCMUJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.703,230-473-0,7149-27-1,"1,5-dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate","1,5-dimethyl-1-vinylhex-4-en-1-yl 2-(methylamino)benzoate",CNc1ccccc1C(=O)OC(C)(CCC=C(C)C)C=C,CNc1ccccc1C(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C18H25NO2/c1-6-18(4,13-9-10-14(2)3)21-17(20)15-11-7-8-12-16(15)19-5/h6-8,10-12,19H,1,9,13H2,2-5H3",C18H25NO2,,,,,,YSISVWIJMAXDQL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.709,230-479-3,7149-59-9,Diethyl 3-oxoadipate,diethyl 3-oxohexanedioate,CCOC(=O)CCC(=O)CC(=O)OCC,CCOC(=O)CCC(=O)CC(=O)OCC,"InChI=1/C10H16O5/c1-3-14-9(12)6-5-8(11)7-10(13)15-4-2/h3-7H2,1-2H3",C10H16O5,,,,,,ONRIYMIXCUUSNS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.710,230-480-9,7149-65-7,Ethyl 5-oxo-L-prolinate,ethyl 5-oxo-L-prolinate,CCOC(=O)[C@@H]1CCC(=O)N1,CCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)",C7H11NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19017,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.710,QYJOOVQLTTVTJY-YFKPBYRVSA-N,,,,,,,,,,,
100.027.712,230-483-5,7149-79-3,N-(3-chloro-4-methylphenyl)acetamide,N-(3-chloro-4-methylphenyl)acetamide,CC(=O)Nc1ccc(C)c(Cl)c1,CC(=O)Nc1ccc(C)c(Cl)c1,"InChI=1/C9H10ClNO/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12)",C9H10ClNO,,,,,,IGLVCWPPISIXPR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.716,230-487-7,6/03/7152,Cyclopropyl 4-methoxyphenyl ketone,cyclopropyl(4-methoxyphenyl)methanone,COc1ccc(cc1)C(=O)C2CC2,COc1ccc(cc1)C(=O)C2CC2,"InChI=1/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3",C11H12O2,,,,,,YKZSVEVTRUSPOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.718,230-489-8,1/08/7152,1-benzyl-4-(1-pyrrolidinyl)piperidine-4-carboxamide,1-benzyl-4-pyrrolidin-1-ylpiperidine-4-carboxamide,NC(=O)C1(CCN(Cc2ccccc2)CC1)N3CCCC3,NC(=O)C1(CCN(Cc2ccccc2)CC1)N3CCCC3,"InChI=1/C17H25N3O/c18-16(21)17(20-10-4-5-11-20)8-12-19(13-9-17)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H2,18,21)",C17H25N3O,,,,,,LVKUSLBPUHAEAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.721,230-492-4,7152-21-8,3-methyl-4-(4-methoxyphenyl)-3-buten-2-one,4-(4-methoxyphenyl)-3-methylbut-3-en-2-one,COc1ccc(C=C(C)C(C)=O)cc1,COc1ccc(C=C(C)C(C)=O)cc1,"InChI=1/C12H14O2/c1-9(10(2)13)8-11-4-6-12(14-3)7-5-11/h4-8H,1-3H3",C12H14O2,,,,,,XPZPSZIJTDXAGU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.722,230-494-5,7152-24-1,2-(methylthio)benzimidazole,2-(methylsulfanyl)-1H-benzimidazole,CSc1nc2ccccc2[nH]1,CSc1nc2ccccc2[nH]1,"InChI=1/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)",C8H8N2S,,,,,,OCKJFOHZLXIAAT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.729,230-501-1,7153-98-2,"Bis(3,5,5-trimethylhexyl) hydrogen phosphate","bis(3,5,5-trimethylhexyl) hydrogen phosphate",CC(CCOP(=O)(O)OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOP(=O)(O)OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C18H39O4P/c1-15(13-17(3,4)5)9-11-21-23(19,20)22-12-10-16(2)14-18(6,7)8/h15-16H,9-14H2,1-8H3,(H,19,20)",C18H39O4P,,,,,,LPOAIFBVIQAMFA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.733,230-505-3,7154-31-6,"N,N'-diphenylterephthaldiamide","N,N'-diphenylterephthalamide",O=C(Nc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3,O=C(Nc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3,"InChI=1/C20H16N2O2/c23-19(21-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(24)22-18-9-5-2-6-10-18/h1-14H,(H,21,23)(H,22,24)",C20H16N2O2,,,,,,MXHDSBYJGVZESK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.496,226-945-0,5572-43-0,Sodium 7-[(chloroacetyl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate,sodium 7-[(chloroacetyl)amino]-4-hydroxy-3-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].ClCC(=O)Nc1ccc3c(c1)cc(c(N=Nc2ccccc2)c3O)S([O-])(=O)=O,[Na+].ClCC(=O)Nc1ccc3c(c1)cc(c(N=Nc2ccccc2)c3O)S([O-])(=O)=O,"InChI=1/C18H14ClN3O5S.Na/c19-10-16(23)20-13-6-7-14-11(8-13)9-15(28(25,26)27)17(18(14)24)22-21-12-4-2-1-3-5-12;/h1-9,24H,10H2,(H,20,23)(H,25,26,27);/q;+1/p-1",C18H14ClN3O5S.Na,,,,,,ANVUYAMVGIAPER-UHFFFAOYSA-M,,,,,,,,,,,
100.024.499,226-948-7,5575-21-3,Cefalonium,3-[(4-carbamoylpyridinium-1-yl)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4cccs4)C3=O)C(=O)[O-])cc1,NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4cccs4)C3=O)C(=O)[O-])cc1,"InChI=1/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)",C20H18N4O5S2,,,,,,FMZXNVLFJHCSAF-DNVCBOLYSA-N,Positive,mzcloud:2730,[M+H]+,HCD_Averaged,97.01065:123.05529:152.01647:158.02704:185.03792:309.0362:337.0311,HighChem,,,,,
100.026.133,228-746-4,6344-60-1,1-hydroxyfluoren-9-one,1-hydroxy-9H-fluoren-9-one,Oc1cccc2c3ccccc3C(=O)c12,Oc1cccc2c3ccccc3C(=O)c12,"InChI=1/C13H8O2/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7,14H",C13H8O2,,,,,,QUUNMPSDKIURJD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.604,227-063-9,5625-99-0,"N,N'-diphenylphosphorodiamidic chloride","N,N'-diphenylphosphorodiamidic chloride",ClP(=O)(Nc1ccccc1)Nc2ccccc2,ClP(=O)(Nc1ccccc1)Nc2ccccc2,"InChI=1/C12H12ClN2OP/c13-17(16,14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",C12H12ClN2OP,,,,,,SEJRCEHFBBPZIV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.608,227-068-6,5/11/5630,"(±)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline","1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline",COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,"InChI=1/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3",C21H25NO4,,,,,,RUZIUYOSRDWYQF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.609,227-069-1,5630-53-5,Tibolone,17-ethynyl-17-hydroxy-7-methylestr-5(10)-en-3-one,C[C@@H]1CC2=C(CCC(=O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13,C[C@@H]1CC2=C(CCC(=O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13,"InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3",C21H28O2,,,,,,WZDGZWOAQTVYBX-XOINTXKNSA-N,,,,,,,,,,,
100.024.611,227-071-2,5632-44-0,Tolpropamine,"N,N-dimethyl-3-(4-methylphenyl)-3-phenylpropan-1-amine",CN(C)CCC(c1ccccc1)c2ccc(C)cc2,CN(C)CCC(c1ccccc1)c2ccc(C)cc2,"InChI=1/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3",C18H23N,,,,,,CINROOONPHQHPO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.252,228-877-7,6370-19-0,"3-amino-N-(2,4-dimethylphenyl)-4-methylbenzamide","3-amino-N-(2,4-dimethylphenyl)-4-methylbenzamide",Cc1ccc(NC(=O)c2ccc(C)c(N)c2)c(C)c1,Cc1ccc(NC(=O)c2ccc(C)c(N)c2)c(C)c1,"InChI=1/C16H18N2O/c1-10-4-7-15(12(3)8-10)18-16(19)13-6-5-11(2)14(17)9-13/h4-9H,17H2,1-3H3,(H,18,19)",C16H18N2O,,,,,,RUEOLHBWSOMCKM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.255,228-880-3,6370-32-7,"4,6-dimethylsalicylic acid","2-hydroxy-4,6-dimethylbenzoic acid",Cc1cc(C)c(C(=O)O)c(O)c1,Cc1cc(C)c(C(=O)O)c(O)c1,"InChI=1/C9H10O3/c1-5-3-6(2)8(9(11)12)7(10)4-5/h3-4,10H,1-2H3,(H,11,12)",C9H10O3,,,,,,OQDPLEDHXOOBPW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.256,228-881-9,6370-43-0,2-(o-tolylazo)-p-cresol,4-methyl-2-[(2-methylphenyl)diazenyl]phenol,Oc2ccc(C)cc2N=Nc1ccccc1C,Oc2ccc(C)cc2N=Nc1ccccc1C,"InChI=1/C14H14N2O/c1-10-7-8-14(17)13(9-10)16-15-12-6-4-3-5-11(12)2/h3-9,17H,1-2H3",C14H14N2O,,,,,,GUOVYFDMGDEHNM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.257,228-882-4,6370-44-1,2-[(4-ethoxyphenyl)azo]-p-cresol,2-[(4-ethoxyphenyl)diazenyl]-4-methylphenol,Oc2ccc(C)cc2N=Nc1ccc(OCC)cc1,Oc2ccc(C)cc2N=Nc1ccc(OCC)cc1,"InChI=1/C15H16N2O2/c1-3-19-13-7-5-12(6-8-13)16-17-14-10-11(2)4-9-15(14)18/h4-10,18H,3H2,1-2H3",C15H16N2O2,,,,,,RVBLBXYCACHTLV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.261,228-887-1,6370-75-8,"N,N'-bis[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]oxamide","N,N'-bis[5-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]ethanediamide",O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12)C(=O)Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56,O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12)C(=O)Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56,"InChI=1/C44H26N4O8/c49-37-27-17-9-21-31(35(27)39(51)25-15-7-19-29(33(25)37)45-41(53)23-11-3-1-4-12-23)47-43(55)44(56)48-32-22-10-18-28-36(32)40(52)26-16-8-20-30(34(26)38(28)50)46-42(54)24-13-5-2-6-14-24/h1-22H,(H,45,53)(H,46,54)(H,47,55)(H,48,56)",C44H26N4O8,,,,,,NIBQRIIYVCTBDX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.450,230-194-4,6970-57-6,3-ethyl-3-methylglutaric anhydride,"5,5'-oxybis(3-ethyl-3-methyl-5-oxopentanoic acid)",CCC(C)(CC(=O)O)CC(=O)OC(=O)CC(C)(CC)CC(=O)O,CCC(C)(CC(=O)O)CC(=O)OC(=O)CC(C)(CC)CC(=O)O,"InChI=1/C16H26O7/c1-5-15(3,7-11(17)18)9-13(21)23-14(22)10-16(4,6-2)8-12(19)20/h5-10H2,1-4H3,(H,17,18)(H,19,20)",C8H12O3,,,,,,GJMJUXYFCDDBFG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.452,230-197-0,6971-41-1,"1,2-dihydro-3,4,5,6-tetraphenylphthalic anhydride","4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1,3-dione",O=C1OC(=O)C2C1C(=C(C(=C2c3ccccc3)c4ccccc4)c5ccccc5)c6ccccc6,O=C1OC(=O)C2C1C(=C(C(=C2c3ccccc3)c4ccccc4)c5ccccc5)c6ccccc6,"InChI=1/C32H22O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20,29-30H",C32H22O3,,,,,,SDIBWMJFIDQLCK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.462,230-207-3,6972-55-0,2-(1-hydroxybutyl)cyclohexanol,2-(1-hydroxybutyl)cyclohexanol,CCCC(O)C1CCCCC1O,CCCC(O)C1CCCCC1O,"InChI=1/C10H20O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h8-12H,2-7H2,1H3",C10H20O2,,,,,,QWTGFHHCNFIYOC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.463,230-208-9,6972-61-8,"2',4'-dimethoxycinnamic acid","3-(2,4-dimethoxyphenyl)acrylic acid",COc1ccc(C=CC(=O)O)c(OC)c1,COc1ccc(C=CC(=O)O)c(OC)c1,"InChI=1/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)",C11H12O4,,,,,,YIKHDPHTFYWYJV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.467,230-213-6,6972-78-7,6-amino-1-methyl-5-nitrosouracil,"6-amino-1-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione",CN1C(=C(N=O)C(=O)NC1=O)N,CN1C(=C(N=O)C(=O)NC1=O)N,"InChI=1/C5H6N4O3/c1-9-3(6)2(8-12)4(10)7-5(9)11/h6H2,1H3,(H,7,10,11)",C5H6N4O3,,,,,,AHOWVSJPUQTRNN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.469,230-215-7,6/08/6973,3-amino-4-methoxybenzenesulphonamide,3-amino-4-methoxybenzenesulfonamide,COc1ccc(cc1N)S(=O)(=O)N,COc1ccc(cc1N)S(=O)(=O)N,"InChI=1/C7H10N2O3S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)",C7H10N2O3S,,,,,,NPWOQOWGIUVRAU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.473,226-919-9,5557-16-4,"2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonic acid","2-{[3-methyl-5-oxo-1-(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1,5-disulfonic acid",OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)C4=O,OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)C4=O,"InChI=1/C22H20N4O13S4/c1-13-20(22(27)26(25-13)14-5-7-15(8-6-14)40(28,29)12-11-39-43(36,37)38)24-23-18-10-9-16-17(21(18)42(33,34)35)3-2-4-19(16)41(30,31)32/h2-10,20H,11-12H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)",C22H20N4O13S4,,,,,,HSLDAOIDTZYRAD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.475,226-922-5,5557-88-0,Pent-2-en-4-yn-1-ol,pent-2-en-4-yn-1-ol,C#CC=CCO,C#CC=CCO,"InChI=1/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2",C5H6O,,,,,,TWJDCTNDUKKEMU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.478,226-925-1,5558-67-8,"2,2-diphenylpropiononitrile","2,2-diphenylpropanenitrile",CC(C#N)(c1ccccc1)c2ccccc2,CC(C#N)(c1ccccc1)c2ccccc2,"InChI=1/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3",C15H13N,,,,,,DPVHBXFSKLKYIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.484,226-931-4,5560-69-0,Ethyl dibunate,"ethyl 3,6-di-tert-butylnaphthalene-1-sulfonate",CCOS(=O)(=O)c1cc(cc2cc(ccc12)C(C)(C)C)C(C)(C)C,CCOS(=O)(=O)c1cc(cc2cc(ccc12)C(C)(C)C)C(C)(C)C,"InChI=1/C20H28O3S/c1-8-23-24(21,22)18-13-16(20(5,6)7)12-14-11-15(19(2,3)4)9-10-17(14)18/h9-13H,8H2,1-7H3",C20H28O3S,,,,,,ZAMACTJOCIFTPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.486,226-934-0,5560-78-1,Teclozan,"N,N'-[1,4-phenylenebis(methylene)]bis[2,2-dichloro-N-(2-ethoxyethyl)acetamide]",CCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl,CCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl,"InChI=1/C20H28Cl4N2O4/c1-3-29-11-9-25(19(27)17(21)22)13-15-5-7-16(8-6-15)14-26(10-12-30-4-2)20(28)18(23)24/h5-8,17-18H,3-4,9-14H2,1-2H3",C20H28Cl4N2O4,,,,,,MSJLJWCAEPENBL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.487,226-935-6,5561-08-0,Dihydro-4-methyl-5-(3-methylbutyl)furan-2(3H)-one,4-methyl-5-(3-methylbutyl)dihydrofuran-2(3H)-one,CC(C)CCC1OC(=O)CC1C,CC(C)CCC1OC(=O)CC1C,"InChI=1/C10H18O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3",C10H18O2,,,,,,IENYEYYNDKAHNV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.089,230-898-1,7360-53-4,Aluminium triformate,aluminum triformate,[Al+3].[O-]C=O.[O-]C=O.[O-]C=O,[Al+3].[O-]C=O.[O-]C=O.[O-]C=O,"InChI=1/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3",CH2O2.1/3Al,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1561,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.089,MJWPFSQVORELDX-UHFFFAOYSA-K,,,,,,,,,,,
100.028.091,230-900-0,7361-31-1,Methyl a-methyl-DL-tyrosinate hydrochloride,methyl alpha-methyl-D-tyrosinate hydrochloride,Cl.COC(=O)[C@](C)(N)Cc1ccc(O)cc1,Cl.COC(=O)[C@](C)(N)Cc1ccc(O)cc1,"InChI=1/C11H15NO3.ClH/c1-11(12,10(14)15-2)7-8-3-5-9(13)6-4-8;/h3-6,13H,7,12H2,1-2H3;1H",C11H15NO3.ClH,,,,,,OOVDEPZODSXAMU-RFVHGSKJSA-N,,,,,,,,,,,
100.028.096,230-905-8,7364-33-2,"1,2-dihydro-6-nitro-3H-indazol-3-one","6-nitro-1,2-dihydro-3H-indazol-3-one",[O-][N+](=O)c1ccc2C(=O)NNc2c1,[O-][N+](=O)c1ccc2C(=O)NNc2c1,"InChI=1/C7H5N3O3/c11-7-5-2-1-4(10(12)13)3-6(5)8-9-7/h1-3H,(H2,8,9,11)",C7H5N3O3,,,,,,BNLMXABHKLAIAG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.103,230-913-1,7367-82-0,Ethyl (E)-oct-2-enoate,ethyl oct-2-enoate,CCCCC\\C=C\\C(=O)OCC,CCCCC\C=C\C(=O)OCC,"InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3",C10H18O2,,,,,,AISZSTYLOVXFII-CMDGGOBGSA-N,,,,,,,,,,,
100.028.105,230-915-2,7367-84-2,Ethyl (Z)-4-decenoate,ethyl dec-4-enoate,CCCCC\\C=C/CCC(=O)OCC,CCCCC\C=C/CCC(=O)OCC,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3",C12H22O2,,,,,,AWNIQMQADACLCJ-HJWRWDBZSA-N,,,,,,,,,,,
100.028.106,230-916-8,7367-85-3,Methyl (E)-2-decenoate,methyl dec-2-enoate,CCCCCCC\\C=C\\C(=O)OC,CCCCCCC\C=C\C(=O)OC,"InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,VVBWOSGRZNCEBX-MDZDMXLPSA-N,,,,,,,,,,,
100.028.109,230-919-4,7367-90-0,Ethyl 3-hydroxyoctanoate,ethyl 3-hydroxyoctanoate,CCCCCC(O)CC(=O)OCC,CCCCCC(O)CC(=O)OCC,"InChI=1/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3",C10H20O3,,,,,,VGWUJHSTGYCXQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.111,230-922-0,7369-44-0,"N-hydroxy-N,3-diphenylacrylamide","N-hydroxy-N,3-diphenylacrylamide",ON(C(=O)\\C=C\\c1ccccc1)c2ccccc2,ON(C(=O)\C=C\c1ccccc1)c2ccccc2,"InChI=1/C15H13NO2/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-12,18H",C15H13NO2,,,,,,TUJGSRKTSYNGAW-VAWYXSNFSA-N,,,,,,,,,,,
100.028.112,230-923-6,7369-50-8,1-ethyl-3-nitrobenzene,1-ethyl-3-nitrobenzene,CCc1cccc(c1)[N+](=O)[O-],CCc1cccc(c1)[N+](=O)[O-],"InChI=1/C8H9NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3",C8H9NO2,,,,,,RXAKLPGKSXJZEF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.113,230-924-1,7370-44-7,Tetrahydro-6-undecyl-2H-pyran-2-one,6-undecyltetrahydro-2H-pyran-2-one,CCCCCCCCCCCC1CCCC(=O)O1,CCCCCCCCCCCC1CCCC(=O)O1,"InChI=1/C16H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h15H,2-14H2,1H3",C16H30O2,,,,,,ZMJKQSSFLIFELJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.114,230-925-7,7370-82-3,N-(2-methyl-1-oxoallyl)methacrylamide,N-methacryloyl-2-methylacrylamide,CC(=C)C(=O)NC(=O)C(=C)C,CC(=C)C(=O)NC(=O)C(=C)C,"InChI=1/C8H11NO2/c1-5(2)7(10)9-8(11)6(3)4/h1,3H2,2,4H3,(H,9,10,11)",C8H11NO2,,,,,,ABGYXXMZWPKYAU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.080,208-887-8,545-27-7,"(3ß,5ß,16ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide","3-[(2,6-dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide",CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CCC5(C)C(C(O)CC45O)C6=CC(=O)OC6)C2,CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CCC5(C)C(C(O)CC45O)C6=CC(=O)OC6)C2,"InChI=1/C29H44O8/c1-15-26(33)21(30)12-24(36-15)37-18-6-8-27(2)17(11-18)4-5-20-19(27)7-9-28(3)25(16-10-23(32)35-14-16)22(31)13-29(20,28)34/h10,15,17-22,24-26,30-31,33-34H,4-9,11-14H2,1-3H3",C29H44O8,,,,,,IQOYEMCASBGLJD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.998,209-895-4,597-31-9,"3-hydroxy-2,2-dimethylpropionaldehyde","3-hydroxy-2,2-dimethylpropanal",CC(C)(CO)C=O,CC(C)(CO)C=O,"InChI=1/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3",C5H10O2,,,,,,JJMOMMLADQPZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.006,209-905-7,597-63-7,Tetraethylgermanium,tetraethylgermane,CC[Ge+](CC)(CC)CC,CC[Ge+](CC)(CC)CC,"InChI=1/C8H20Ge/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",C8H20Ge,,,,,,XBUVEELWIWGYMW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.018,209-918-8,598-12-9,Bis[methylguanidinium] sulphate,bis[amino(imino)-N-methylmethanaminium] sulfate,C[NH2+]C(=N)N.C[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],C[NH2+]C(=N)N.C[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2C2H7N3.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H4,3,4,5);(H2,1,2,3,4)",C2H7N3.1/2H2O4S,,,,,,WTYJBGQERCCGAD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.023,209-924-0,598-22-1,Propionyl bromide,propanoyl bromide,CCC(=O)Br,CCC(=O)Br,"InChI=1/C3H5BrO/c1-2-3(4)5/h2H2,1H3",C3H5BrO,,,,,,RIBFXMJCUYXJDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.025,209-926-1,598-25-4,"3-methylbuta-1,2-diene","3-methylbuta-1,2-diene",CC(=C=C)C,CC(=C=C)C,"InChI=1/C5H8/c1-4-5(2)3/h1H2,2-3H3",C5H8,,,,,,PAKGDPSCXSUALC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.026,209-927-7,598-30-1,sec-butyllithium,sec-butyllithium,[Li]C(C)CC,[Li]C(C)CC,"InChI=1/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3;/rC4H9Li/c1-3-4(2)5/h4H,3H2,1-2H3",C4H9Li,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14483,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.026,VATDYQWILMGLEW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.030,209-931-9,598-38-9,"2,2-dichloroethanol","2,2-dichloroethanol",OCC(Cl)Cl,OCC(Cl)Cl,"InChI=1/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2",C2H4Cl2O,,,,,,IDJOCJAIQSKSOP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.033,209-935-0,598-50-5,Methylurea,1-methylurea,CNC(=O)N,CNC(=O)N,"InChI=1/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)",C2H6N2O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11080,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.033,XGEGHDBEHXKFPX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.035,209-937-1,598-53-8,Isopropyl methyl ether,2-methoxypropane,COC(C)C,COC(C)C,"InChI=1/C4H10O/c1-4(2)5-3/h4H,1-3H3",C4H10O,,,,,,RMGHERXMTMUMMV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.036,209-938-7,598-54-9,Copper(1+) acetate,copper(1+) acetate,[Cu+].[O-]C(C)=O,[Cu+].[O-]C(C)=O,"InChI=1/C2H4O2.Cu/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4O2.Cu,,,,,,RFKZUAOAYVHBOY-UHFFFAOYSA-M,,,,,,,,,,,
100.009.040,209-942-9,598-62-9,Manganese carbonate,manganese(2+) carbonate,[Mn+2].[O-]C(=O)[O-],[Mn+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Mn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Mn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14838,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.040,XMWCXZJXESXBBY-UHFFFAOYSA-L,,,,,,,,,,,
100.009.043,209-946-0,598-65-2,"1,1-dimethylguanidinium sulphate (2:1)","bis[amino(imino)-N,N-dimethylmethanaminium] sulfate",C[NH+](C)C(=N)N.C[NH+](C)C(=N)N.[O-]S(=O)(=O)[O-],C[NH+](C)C(=N)N.C[NH+](C)C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2C3H9N3.H2O4S/c2*1-6(2)3(4)5;1-5(2,3)4/h2*1-2H3,(H3,4,5);(H2,1,2,3,4)",C3H9N3.1/2H2O4S,,,,,,QSCHFHVDZCPIKX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.044,209-947-6,598-72-1,2-bromopropionic acid,2-bromopropanoic acid,CC(Br)C(=O)O,CC(Br)C(=O)O,"InChI=1/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)",C3H5BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10591,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.044,MONMFXREYOKQTI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.045,209-948-1,598-73-2,Bromotrifluoroethylene,"1-bromo-1,2,2-trifluoroethene",FC(=C(F)Br)F,FC(=C(F)Br)F,InChI=1/C2BrF3/c3-1(4)2(5)6,C2BrF3,,,,,,AYCANDRGVPTASA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.047,209-950-2,598-75-4,3-methylbutan-2-ol,3-methylbutan-2-ol,CC(C)C(C)O,CC(C)C(C)O,"InChI=1/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3",C5H12O,,,,,,MXLMTQWGSQIYOW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.051,209-954-4,598-82-3,Dl-lactic acid,2-hydroxypropanoic acid,CC(O)C(=O)O,CC(O)C(=O)O,"InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)",C3H6O3,,,,,,JVTAAEKCZFNVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.366,207-001-7,421-06-7,"2-bromo-1,1,1-trifluoroethane","2-bromo-1,1,1-trifluoroethane",FC(F)(F)CBr,FC(F)(F)CBr,"InChI=1/C2H2BrF3/c3-1-2(4,5)6/h1H2",C2H2BrF3,,,,,,TZNJHEHAYZJBHR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.369,207-004-3,421-20-5,Methyl fluorosulphate,methyl fluorosulfate,COS(=O)(=O)F,COS(=O)(=O)F,"InChI=1/CH3FO3S/c1-5-6(2,3)4/h1H3",CH3FO3S,,,,,,MBXNQZHITVCSLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.371,207-006-4,421-53-4,"2,2,2-trifluoroethanediol","2,2,2-trifluoroethane-1,1-diol",OC(O)C(F)(F)F,OC(O)C(F)(F)F,"InChI=1/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H",C2H3F3O2,,,,,,VGJWVEYTYIBXIA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.374,207-010-6,422-03-7,"2,2,3,3,3-pentafluoropropylamine","2,2,3,3,3-pentafluoropropan-1-amine",NCC(F)(F)C(F)(F)F,NCC(F)(F)C(F)(F)F,"InChI=1/C3H4F5N/c4-2(5,1-9)3(6,7)8/h1,9H2",C3H4F5N,,,,,,DPQNQLKPUVWGHE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.134,228-748-5,6344-62-3,1-aminofluoren-9-one,1-amino-9H-fluoren-9-one,Nc1cccc2c3ccccc3C(=O)c12,Nc1cccc2c3ccccc3C(=O)c12,"InChI=1/C13H9NO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7H,14H2",C13H9NO,,,,,,KSEPMOMKAQKOSM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.138,228-752-7,6346-05-0,3-benzyloxy-4-methoxybenzaldehyde,3-(benzyloxy)-4-methoxybenzaldehyde,COc1ccc(C=O)cc1OCc2ccccc2,COc1ccc(C=O)cc1OCc2ccccc2,"InChI=1/C15H14O3/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3",C15H14O3,,,,,,VQVQZFHUXRSRBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.140,228-754-8,6349-98-0,"2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)glutaric acid","2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid",OC(=O)CCC(N1C(=O)c2ccccc2C1=O)C(=O)O,OC(=O)CCC(N1C(=O)c2ccccc2C1=O)C(=O)O,"InChI=1/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)",C13H11NO6,,,,,,FEFFSKLJNYRHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.143,228-757-4,6357-93-3,"4,6-dihydroxynaphthalene-2-sulphonic acid","4,6-dihydroxynaphthalene-2-sulfonic acid",Oc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,Oc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,"InChI=1/C10H8O5S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,11-12H,(H,13,14,15)",C10H8O5S,,,,,,FBYMBFPXCCVIRA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.144,228-759-5,6357-94-4,"4,7-dihydroxynaphthalene-2-sulphonic acid","4,7-dihydroxynaphthalene-2-sulfonic acid",Oc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,Oc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,"InChI=1/C10H8O5S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,11-12H,(H,13,14,15)",C10H8O5S,,,,,,DMYHTSZRAULBDW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.147,228-762-1,4/09/6358,2-amino-6-chloro-4-nitrophenol,2-amino-6-chloro-4-nitrophenol,Nc1cc(cc(Cl)c1O)[N+](=O)[O-],Nc1cc(cc(Cl)c1O)[N+](=O)[O-],"InChI=1/C6H5ClN2O3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H,8H2",C6H5ClN2O3,,,,,,TWLMSPNQBKSXOP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.156,228-772-6,6358-43-6,"Disodium 4-hydroxy-3-[(o-tolyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate","disodium 4-hydroxy-3-[(2-methylphenyl)diazenyl]-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccccc2C)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccccc2C)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C24H21N3O9S3.2Na/c1-14-7-9-17(10-8-14)37(29,30)27-20-13-18(38(31,32)33)11-16-12-21(39(34,35)36)23(24(28)22(16)20)26-25-19-6-4-3-5-15(19)2;;/h3-13,27-28H,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C24H21N3O9S3.2Na,,,,,,GCUHLYDQBADSHR-UHFFFAOYSA-L,,,,,,,,,,,
100.027.311,230-042-7,6923-22-4,Monocrotophos,dimethyl 1-methyl-3-(methylamino)-3-oxoprop-1-en-1-yl phosphate,O=P(OC)(OC)OC(C)=CC(=O)NC,O=P(OC)(OC)OC(C)=CC(=O)NC,"InChI=1/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)",C7H14NO5P,,,,,,KRTSDMXIXPKRQR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.323,230-055-8,6931-54-0,"2,10-epoxypinane","6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]",CC1(C)C2CCC3(CO3)C1C2,CC1(C)C2CCC3(CO3)C1C2,"InChI=1/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3",C10H16O,,,,,,OUXAABAEPHHZPC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.325,230-057-9,6933-25-1,2-thienyl p-tolyl ketone,(4-methylphenyl)(2-thienyl)methanone,Cc1ccc(cc1)C(=O)c2cccs2,Cc1ccc(cc1)C(=O)c2cccs2,"InChI=1/C12H10OS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8H,1H3",C12H10OS,,,,,,IKWYWMSVSMGHEU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.326,230-058-4,6933-90-0,2-chloro-a-[(isopropylamino)methyl]benzyl alcohol hydrochloride,1-(2-chlorophenyl)-2-(isopropylamino)ethanol hydrochloride,Cl.CC(C)NCC(O)c1ccccc1Cl,Cl.CC(C)NCC(O)c1ccccc1Cl,"InChI=1/C11H16ClNO.ClH/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12;/h3-6,8,11,13-14H,7H2,1-2H3;1H",C11H16ClNO.ClH,,,,,,CPCPUCRSKRHVAH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.332,230-065-2,4/07/6938,Ethyl N-(3-ethoxy-3-oxopropyl)-N-(phenylmethyl)-ß-alaninate,"diethyl 3,3'-(benzylimino)dipropanoate (non-preferred name)",CCOC(=O)CCN(CCC(=O)OCC)Cc1ccccc1,CCOC(=O)CCN(CCC(=O)OCC)Cc1ccccc1,"InChI=1/C17H25NO4/c1-3-21-16(19)10-12-18(13-11-17(20)22-4-2)14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3",C17H25NO4,,,,,,RWQXNROEHRGDNP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.338,230-072-0,6938-94-9,Diisopropyl adipate,diisopropyl adipate,CC(C)OC(=O)CCCCC(=O)OC(C)C,CC(C)OC(=O)CCCCC(=O)OC(C)C,"InChI=1/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3",C12H22O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15849,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.338,ZDQWESQEGGJUCH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.340,230-074-1,6939-63-5,"3,4,5-trimethoxybenzoyl isothiocyanate","3,4,5-trimethoxybenzoyl isothiocyanate",COc1cc(cc(OC)c1OC)C(=O)N=C=S,COc1cc(cc(OC)c1OC)C(=O)N=C=S,"InChI=1/C11H11NO4S/c1-14-8-4-7(11(13)12-6-17)5-9(15-2)10(8)16-3/h4-5H,1-3H3",C11H11NO4S,,,,,,SRJJUWPSSFADES-UHFFFAOYSA-N,,,,,,,,,,,
100.027.344,230-078-3,6939-93-1,4-bromoisophthalic acid,4-bromoisophthalic acid,OC(=O)c1ccc(Br)c(c1)C(=O)O,OC(=O)c1ccc(Br)c(c1)C(=O)O,"InChI=1/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5BrO4,,,,,,MSQIEZXCNYUWHN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.350,230-085-1,6940-50-7,4-bromomandelic acid,(4-bromophenyl)(hydroxy)acetic acid,OC(C(=O)O)c1ccc(Br)cc1,OC(C(=O)O)c1ccc(Br)cc1,"InChI=1/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)",C8H7BrO3,,,,,,BHZBRPQOYFDTAB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.471,230-217-8,6973-60-0,N-methylpyrrole-2-carboxylic acid,1-methyl-1H-pyrrole-2-carboxylic acid,Cn1cccc1C(=O)O,Cn1cccc1C(=O)O,"InChI=1/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)",C6H7NO2,,,,,,ILAOVOOZLVGAJF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.472,230-218-3,6973-66-6,2-isopentylpyridine,2-(3-methylbutyl)pyridine,CC(C)CCc1ccccn1,CC(C)CCc1ccccn1,"InChI=1/C10H15N/c1-9(2)6-7-10-5-3-4-8-11-10/h3-5,8-9H,6-7H2,1-2H3",C10H15N,,,,,,UHDOWIRKQWDHEC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.474,230-220-4,6974-32-9,"1-O-acetyl-2,3,5-tri-O-benzoyl-ß-D-ribofuranose","1-O-acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose",CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(=O)c4ccccc4,CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(=O)c4ccccc4,"InChI=1/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3",C28H24O9,,,,,,GCZABPLTDYVJMP-CBUXHAPBSA-N,,,,,,,,,,,
100.027.487,230-235-6,6975-71-9,Cyclohex-1-ene-1-acetonitrile,cyclohex-1-en-1-ylacetonitrile,N#CCC1=CCCCC1,N#CCC1=CCCCC1,"InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2",C8H11N,,,,,,OYEXEQFKIPJKJK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.495,230-244-5,6979-97-1,"Thymidine 3',5'-diacetate","3',5'-di-O-acetylthymidine",CC(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)N2C=C(C)C(=O)NC2=O,CC(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)N2C=C(C)C(=O)NC2=O,"InChI=1/C14H18N2O7/c1-7-5-16(14(20)15-13(7)19)12-4-10(22-9(3)18)11(23-12)6-21-8(2)17/h5,10-12H,4,6H2,1-3H3,(H,15,19,20)",C14H18N2O7,,,,,,RGVBNBFNSBMXID-QJPTWQEYSA-N,,,,,,,,,,,
100.024.238,226-662-2,9/02/5447,"3,4-bis(benzyloxy)benzaldehyde","3,4-bis(benzyloxy)benzaldehyde",O=Cc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1,O=Cc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1,"InChI=1/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2",C21H18O3,,,,,,XDDLXZHBWVFPRG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.239,226-663-8,5447-21-2,Thiobis(acetohydrazide),"2,2'-sulfanediyldiacetohydrazide",NNC(=O)CSCC(=O)NN,NNC(=O)CSCC(=O)NN,"InChI=1/C4H10N4O2S/c5-7-3(9)1-11-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10)",C4H10N4O2S,,,,,,CYCRXXDVTXKJSD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.242,226-666-4,5447-86-9,"10,10-dimethylanthracen-9(10H)-one","10,10-dimethylanthracen-9(10H)-one",CC1(C)c2ccccc2C(=O)c3ccccc13,CC1(C)c2ccccc2C(=O)c3ccccc13,"InChI=1/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3",C16H14O,,,,,,GWFCYDIAPRIMLA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.246,226-671-1,5448-29-3,"2-amino-1,1-dimethylethylisopropylamine","N~2~-isopropyl-2-methylpropane-1,2-diamine",CC(C)NC(C)(C)CN,CC(C)NC(C)(C)CN,"InChI=1/C7H18N2/c1-6(2)9-7(3,4)5-8/h6,9H,5,8H2,1-4H3",C7H18N2,,,,,,ULZVZRVDMKHKAL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.880,228-467-8,6274-20-0,Sodium m-toluidinomethanesulphonate,sodium [(3-methylphenyl)amino]methanesulfonate,[Na+].Cc1cccc(NCS(=O)(=O)[O-])c1,[Na+].Cc1cccc(NCS(=O)(=O)[O-])c1,"InChI=1/C8H11NO3S.Na/c1-7-3-2-4-8(5-7)9-6-13(10,11)12;/h2-5,9H,6H2,1H3,(H,10,11,12);/q;+1/p-1",C8H11NO3S.Na,,,,,,CHDJDQQBCGWRTR-UHFFFAOYSA-M,,,,,,,,,,,
100.025.881,228-468-3,6274-27-7,"[(2,5-dichlorophenyl)thio]acetic acid","[(2,5-dichlorophenyl)sulfanyl]acetic acid",OC(=O)CSc1cc(Cl)ccc1Cl,OC(=O)CSc1cc(Cl)ccc1Cl,"InChI=1/C8H6Cl2O2S/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6Cl2O2S,,,,,,DCXXCTCEJFBLPD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.882,228-469-9,6275-32-7,"2,6-bis(4-methoxybenzylidene)cyclohexan-1-one","2,6-bis(4-methoxybenzylidene)cyclohexanone",COc1ccc(cc1)C=C3CCCC(=Cc2ccc(OC)cc2)C3=O,COc1ccc(cc1)C=C3CCCC(=Cc2ccc(OC)cc2)C3=O,"InChI=1/C22H22O3/c1-24-20-10-6-16(7-11-20)14-18-4-3-5-19(22(18)23)15-17-8-12-21(25-2)13-9-17/h6-15H,3-5H2,1-2H3",C22H22O3,,,,,,ZYMUNTZVOUBQAI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.885,228-473-0,6276-48-8,"1,3-dihydro-4-methyl-2H-1,5-benzodiazepin-2-one","4-methyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one",CC1=Nc2ccccc2NC(=O)C1,CC1=Nc2ccccc2NC(=O)C1,"InChI=1/C10H10N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)",C10H10N2O,,,,,,AFHSLLLKMSITIA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.889,228-477-2,6279-86-3,Triethyl methanetricarboxylate,triethyl methanetricarboxylate,CCOC(=O)C(C(=O)OCC)C(=O)OCC,CCOC(=O)C(C(=O)OCC)C(=O)OCC,"InChI=1/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3",C10H16O6,,,,,,AGZPNUZBDCYTBB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.890,228-478-8,1/03/6280,Vinyl nonan-1-oate,vinyl nonanoate,CCCCCCCCC(=O)OC=C,CCCCCCCCC(=O)OC=C,"InChI=1/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h4H,2-3,5-10H2,1H3",C11H20O2,,,,,,NWJTZFZQVYJIHU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.896,228-485-6,6280-99-5,Dibutyl (±)-malate,dibutyl malate,CCCCOC(=O)CC(O)C(=O)OCCCC,CCCCOC(=O)CC(O)C(=O)OCCCC,"InChI=1/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3",C12H22O5,,,,,,PDSCSYLDRHAHOX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.899,228-488-2,6281-23-8,3-(5-nitro-2-furyl)acrylic acid,3-(5-nitro-2-furyl)acrylic acid,OC(=O)\\C=C\\c1oc(cc1)[N+](=O)[O-],OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],"InChI=1/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)",C7H5NO5,,,,,,LWOWNIPZHGWKNR-DUXPYHPUSA-N,,,,,,,,,,,
100.028.115,230-926-2,7370-84-5,N-methyl-N-(2-methyl-1-oxoallyl)methacrylamide,"N-methacryloyl-N,2-dimethylacrylamide",CN(C(=O)C(=C)C)C(=O)C(=C)C,CN(C(=O)C(=C)C)C(=O)C(=C)C,"InChI=1/C9H13NO2/c1-6(2)8(11)10(5)9(12)7(3)4/h1,3H2,2,4-5H3",C9H13NO2,,,,,,OCSUTLAGNPKGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.119,230-930-4,7/11/7373,(2-hydroxypropyl)ammonium nitrite,2-hydroxypropan-1-aminium nitrite,CC(O)C[NH3+].[O-]N=O,CC(O)C[NH3+].[O-]N=O,"InChI=1/C3H9NO.HNO2/c1-3(5)2-4;2-1-3/h3,5H,2,4H2,1H3;(H,2,3)",C3H9NO.HNO2,,,,,,OPJXGFAZDVITCO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.121,230-933-0,7375-15-7,1-[3-(dimethylamino)propyl]pyrrolidin-2-one,1-[3-(dimethylamino)propyl]pyrrolidin-2-one,CN(C)CCCN1CCCC1=O,CN(C)CCCN1CCCC1=O,"InChI=1/C9H18N2O/c1-10(2)6-4-8-11-7-3-5-9(11)12/h3-8H2,1-2H3",C9H18N2O,,,,,,VBRBLUHWCNINSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.122,230-934-6,7376-31-0,Bis[tris(hydroxyethyl)ammonium] sulphate,"bis[1-hydroxy-N,N-bis(1-hydroxyethyl)ethanaminium] sulfate",CC(O)[NH+](C(C)O)C(C)O.CC(O)[NH+](C(C)O)C(C)O.[O-]S(=O)(=O)[O-],CC(O)[NH+](C(C)O)C(C)O.CC(O)[NH+](C(C)O)C(C)O.[O-]S(=O)(=O)[O-],"InChI=1/2C6H15NO3.H2O4S/c2*1-4(8)7(5(2)9)6(3)10;1-5(2,3)4/h2*4-6,8-10H,1-3H3;(H2,1,2,3,4)",C6H15NO3.xH2O4S,,,,,,OOIBYZWEDCNZIV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.124,230-936-7,9/03/7377,N-hydroxyoctanamide,N-hydroxyoctanamide,CCCCCCCC(=O)NO,CCCCCCCC(=O)NO,"InChI=1/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)",C8H17NO2,,,,,,RGUVUPQQFXCJFC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.086,226-495-5,5412-64-6,N-butyl-1-phenylethylamine,N-(1-phenylethyl)butan-1-amine,CCCCNC(C)c1ccccc1,CCCCNC(C)c1ccccc1,"InChI=1/C12H19N/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3",C12H19N,,,,,,SHHMVRIBSOJMCK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.087,226-496-0,5412-66-8,Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate,"diethyl 2,2'-(methylimino)diacetate",CCOC(=O)CN(C)CC(=O)OCC,CCOC(=O)CN(C)CC(=O)OCC,"InChI=1/C9H17NO4/c1-4-13-8(11)6-10(3)7-9(12)14-5-2/h4-7H2,1-3H3",C9H17NO4,,,,,,ODKKLRIGMTZMLI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.089,226-498-1,5412-82-8,Sodium 7-aminonaphthalene-2-sulphonate,sodium 7-aminonaphthalene-2-sulfonate,[Na+].Nc1ccc2ccc(cc2c1)S(=O)(=O)[O-],[Na+].Nc1ccc2ccc(cc2c1)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,BFGOSNKRBCAENG-UHFFFAOYSA-M,,,,,,,,,,,
100.024.095,226-504-2,5414-19-7,Bis(2-bromoethyl) ether,1-bromo-2-(2-bromoethoxy)ethane,BrCCOCCBr,BrCCOCCBr,InChI=1/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2,C4H8Br2O,,,,,,FOZVXADQAHVUSV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.104,226-514-7,5417-05-0,"3,3'-[[2-[(2-hydroxyethyl)(3-hydroxypropyl)amino]ethyl]imino]dipropanol",3-[{2-[bis(3-hydroxypropyl)amino]ethyl}(2-hydroxyethyl)amino]propan-1-ol,OCCCN(CCO)CCN(CCCO)CCCO,OCCCN(CCO)CCN(CCCO)CCCO,"InChI=1/C13H30N2O4/c16-10-1-4-14(5-2-11-17)7-8-15(9-13-19)6-3-12-18/h16-19H,1-13H2",C13H30N2O4,,,,,,NNZHIHXNIKLVHS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.113,226-524-1,5418-32-6,N-(4-sodiooxyphenyl)-p-benzoquinone monoimine,"sodium 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate",[Na]Oc1ccc(cc1)N=C2C=CC(=O)C=C2,[Na]Oc1ccc(cc1)N=C2C=CC(=O)C=C2,"InChI=1/C12H9NO2.Na/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10;/h1-8,14H;/q;+1/p-1",C12H9NO2.Na,,,,,,FRUIYGAEJNTDCA-UHFFFAOYSA-M,,,,,,,,,,,
100.024.119,226-530-4,5419-77-2,Sodium 5-hydroxynaphthalene-1-sulphonate,sodium 5-hydroxynaphthalene-1-sulfonate,[Na+].Oc1cccc2c(cccc12)S(=O)(=O)[O-],[Na+].Oc1cccc2c(cccc12)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,HWQLBKMVMXBGRC-UHFFFAOYSA-M,,,,,,,,,,,
100.024.123,226-535-1,5/04/5421,Isopentyl phenylglycolate,3-methylbutyl hydroxy(phenyl)acetate,CC(C)CCOC(=O)C(O)c1ccccc1,CC(C)CCOC(=O)C(O)c1ccccc1,"InChI=1/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3",C13H18O3,,,,,,KQQXUARABJGCMS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.751,228-326-0,6227-14-1,Disodium 4-hydroxy-3-[[2-methoxy-5-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]-7-(phenylamino)naphthalene-2-sulphonate,disodium 7-anilino-4-hydroxy-3-({2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].COc5cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc5N=Nc4c(cc3cc(Nc2ccccc2)ccc3c4O)S([O-])(=O)=O,[Na+].[Na+].COc5cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc5N=Nc4c(cc3cc(Nc2ccccc2)ccc3c4O)S([O-])(=O)=O,"InChI=1/C30H25N5O8S2.2Na/c1-18-14-26(27(43-2)17-25(18)33-32-21-8-11-23(12-9-21)44(37,38)39)34-35-29-28(45(40,41)42)16-19-15-22(10-13-24(19)30(29)36)31-20-6-4-3-5-7-20;;/h3-17,31,36H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H25N5O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17455,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.751,WXYONRHRWMFURG-UHFFFAOYSA-L,,,,,,,,,,,
100.006.376,207-012-7,422-05-9,"2,2,3,3,3-pentafluoropropanol","2,2,3,3,3-pentafluoropropan-1-ol",OCC(F)(F)C(F)(F)F,OCC(F)(F)C(F)(F)F,"InChI=1/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2",C3H3F5O,,,,,,PSQZJKGXDGNDFP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.381,207-017-4,422-59-3,Perfluoropropionyl chloride,pentafluoropropanoyl chloride,FC(F)(F)C(F)(F)C(=O)Cl,FC(F)(F)C(F)(F)C(=O)Cl,"InChI=1/C3ClF5O/c4-1(10)2(5,6)3(7,8)9",C3ClF5O,,,,,,SHMNLEQWIMKCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.388,207-025-8,423-39-2,"1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane","1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C4F9I/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",C4F9I,,,,,,PGRFXXCKHGIFSV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.393,207-031-0,423-82-5,2-[ethyl[(heptadecafluorooctyl)sulphonyl]amino]ethyl acrylate,2-{ethyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl acrylate,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H12F17NO4S/c1-3-7(34)37-6-5-33(4-2)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h3H,1,4-6H2,2H3",C15H12F17NO4S,,,,,,ZAZJGBCGMUKZEL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.394,207-032-6,423-86-9,N-allylheptadecafluorooctanesulphonamide,"N-allyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,"InChI=1/C11H6F17NO2S/c1-2-3-29-32(30,31)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2,29H,1,3H2",C11H6F17NO2S,,,,,,QDPPBTYBIPLUFD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.397,207-035-2,424-40-8,Diethyl hexafluoroglutarate,diethyl hexafluoropentanedioate,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC,"InChI=1/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3",C9H10F6O4,,,,,,MSDPXVBLFJODJO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.407,207-046-2,427-36-1,"1,1',1''-(fluoromethylidyne)trisbenzene","1,1',1''-(fluoromethanetriyl)tribenzene",FC(c1ccccc1)(c2ccccc2)c3ccccc3,FC(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H15F/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C19H15F,,,,,,SOOHMJJPRAGGSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.792,210-770-1,623-09-6,4-amino-N-methylaniline,"N-methylbenzene-1,4-diamine",CNc1ccc(N)cc1,CNc1ccc(N)cc1,"InChI=1/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3",C7H10N2,,,,,,VVYWUQOTMZEJRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.793,210-771-7,623-11-0,p-nitrosotoluene,1-methyl-4-nitrosobenzene,Cc1ccc(cc1)N=O,Cc1ccc(cc1)N=O,"InChI=1/C7H7NO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H3",C7H7NO,,,,,,NYJYFSGMYHSTNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.794,210-772-2,623-12-1,4-chloroanisole,1-chloro-4-methoxybenzene,COc1ccc(Cl)cc1,COc1ccc(Cl)cc1,"InChI=1/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7ClO,,,,,,YRGAYAGBVIXNAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.798,210-776-4,623-19-8,Furfuryl propionate,2-furylmethyl propionate,CCC(=O)OCc1occc1,CCC(=O)OCc1occc1,"InChI=1/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3",C8H10O3,,,,,,LGBXNZSSTFWRFS-UHFFFAOYSA-N,,,,,,,,,,,
100.009.804,210-783-2,623-26-7,Terephthalonitrile,terephthalonitrile,N#Cc1ccc(cc1)C#N,N#Cc1ccc(cc1)C#N,InChI=1/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,C8H4N2,,,,,,BHXFKXOIODIUJO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.805,210-784-8,623-27-8,Terephthalaldehyde,terephthalaldehyde,O=Cc1ccc(C=O)cc1,O=Cc1ccc(C=O)cc1,InChI=1/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H,C8H6O2,,,,,,KUCOHFSKRZZVRO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.812,210-792-1,623-42-7,Methyl butyrate,methyl butyrate,CCCC(=O)OC,CCCC(=O)OC,"InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3",C5H10O2,,,,,,UUIQMZJEGPQKFD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.814,210-794-2,623-46-1,"1,2-dichloro-2-ethoxyethane","1,2-dichloro-1-ethoxyethane",CCOC(Cl)CCl,CCOC(Cl)CCl,"InChI=1/C4H8Cl2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3",C4H8Cl2O,,,,,,NNBUKAPOVBEMNI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.815,210-795-8,623-47-2,Ethyl propiolate,ethyl propiolate,CCOC(=O)C#C,CCOC(=O)C#C,"InChI=1/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3",C5H6O2,,,,,,FMVJYQGSRWVMQV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.818,210-798-4,623-50-7,Ethyl glycollate,ethyl glycolate,CCOC(=O)CO,CCOC(=O)CO,"InChI=1/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3",C4H8O3,,,,,,ZANNOFHADGWOLI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.820,210-801-9,623-56-3,5-methylhexan-3-one,5-methylhexan-3-one,CCC(=O)CC(C)C,CCC(=O)CC(C)C,"InChI=1/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3",C7H14O,,,,,,DXVYLFHTJZWTRF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.821,210-802-4,623-57-4,"3-dimethylaminopropane-1,2-diol","3-(dimethylamino)propane-1,2-diol",CN(C)CC(O)CO,CN(C)CC(O)CO,"InChI=1/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3",C5H13NO2,,,,,,QCMHUGYTOGXZIW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.357,230-093-5,6940-87-0,4-chloro-<U+03B3>-ethoxybenzenebutyronitrile,4-(4-chlorophenyl)-4-ethoxybutanenitrile,CCOC(CCC#N)c1ccc(Cl)cc1,CCOC(CCC#N)c1ccc(Cl)cc1,"InChI=1/C12H14ClNO/c1-2-15-12(4-3-9-14)10-5-7-11(13)8-6-10/h5-8,12H,2-4H2,1H3",C12H14ClNO,,,,,,VTJNWSPCFNYZEV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.358,230-094-0,6940-88-1,1-chloro-4-[3-chloro-1-(1-methylethoxy)propyl]benzene,1-chloro-4-(3-chloro-1-isopropoxypropyl)benzene,CC(C)OC(CCCl)c1ccc(Cl)cc1,CC(C)OC(CCCl)c1ccc(Cl)cc1,"InChI=1/C12H16Cl2O/c1-9(2)15-12(7-8-13)10-3-5-11(14)6-4-10/h3-6,9,12H,7-8H2,1-2H3",C12H16Cl2O,,,,,,KBQWSWLWXZTIKB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.359,230-095-6,6940-91-6,4-chloro-<U+03B3>-(1-methylethoxy)benzenebutyronitrile,4-(4-chlorophenyl)-4-isopropoxybutanenitrile,CC(C)OC(CCC#N)c1ccc(Cl)cc1,CC(C)OC(CCC#N)c1ccc(Cl)cc1,"InChI=1/C13H16ClNO/c1-10(2)16-13(4-3-9-15)11-5-7-12(14)8-6-11/h5-8,10,13H,3-4H2,1-2H3",C13H16ClNO,,,,,,YBAIQXPHJJTGMX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.758,228-333-9,1/11/6230,O-methyl-L-tyrosine,O-methyl-L-tyrosine,COc1ccc(C[C@H](N)C(=O)O)cc1,COc1ccc(C[C@H](N)C(=O)O)cc1,"InChI=1/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)",C10H13NO3,,,,,,GEYBMYRBIABFTA-VIFPVBQESA-N,,,,,,,,,,,
100.025.760,228-336-5,6232-49-1,"Tetrasodium 5,5'-[(2,2'-disulphonato[1,1'-biphenyl]-4,4'-diyl)bis(azo)]disalicylate","tetrasodium 3,3'-[(2,2'-disulfonatobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(6-hydroxybenzoate)",[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(c3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(c3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C26H18N4O12S2.4Na/c31-21-7-3-13(9-19(21)25(33)34)27-29-15-1-5-17(23(11-15)43(37,38)39)18-6-2-16(12-24(18)44(40,41)42)30-28-14-4-8-22(32)20(10-14)26(35)36;;;;/h1-12,31-32H,(H,33,34)(H,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4",C26H18N4O12S2.4Na,,,,,,ICNXOXCTOLGHIJ-UHFFFAOYSA-J,,,,,,,,,,,
100.025.763,228-339-1,6232-55-9,"Sodium 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxytoluene-3-sulphonate","sodium 2-hydroxy-5-methyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(C)cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c3O,[Na+].[O-]S(=O)(=O)c3cc(C)cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c3O,"InChI=1/C17H16N4O5S.Na/c1-10-8-13(16(22)14(9-10)27(24,25)26)18-19-15-11(2)20-21(17(15)23)12-6-4-3-5-7-12;/h3-9,15,22H,1-2H3,(H,24,25,26);/q;+1/p-1",C17H16N4O5S.Na,,,,,,HLRSJCYLOAVRGQ-UHFFFAOYSA-M,,,,,,,,,,,
100.025.768,228-344-9,1/04/6233,"N',N'-dimethylacetohydrazide","N',N'-dimethylacetohydrazide",CN(C)NC(=O)C,CN(C)NC(=O)C,"InChI=1/C4H10N2O/c1-4(7)5-6(2)3/h1-3H3,(H,5,7)",C4H10N2O,,,,,,SLIKWWJXVUHCPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.769,228-345-4,6233-20-1,Trichloro(2-chloroethyl)silane,trichloro(2-chloroethyl)silane,ClCC[Si](Cl)(Cl)Cl,ClCC[Si](Cl)(Cl)Cl,"InChI=1/C2H4Cl4Si/c3-1-2-7(4,5)6/h1-2H2",C2H4Cl4Si,,,,,,FLPXNJHYVOVLSD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.774,228-351-7,6236-40-4,"(±)-13-ethyl-3-methoxygona-2,5(10)-dien-17-one","13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)",CCC12CCC3C(CCC4=C3CC=C(C4)OC)C1CCC2=O,CCC12CCC3C(CCC4=C3CC=C(C4)OC)C1CCC2=O,"InChI=1/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3",C20H28O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16805,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.774,PQMRKLSVUBRLLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.777,228-354-3,3/10/6243,Cyclohexyl hexanoate,cyclohexyl hexanoate,CCCCCC(=O)OC1CCCCC1,CCCCCC(=O)OC1CCCCC1,"InChI=1/C12H22O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h11H,2-10H2,1H3",C12H22O2,,,,,,DTNOERNOMHQUCN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.781,228-359-0,6245-60-9,Sodium 6-amino-4-hydroxy-5-[[2-(phenylsulphonyl)phenyl]azo]naphthalene-2-sulphonate,sodium 6-amino-4-hydroxy-5-{[2-(phenylsulfonyl)phenyl]diazenyl}naphthalene-2-sulfonate,[Na+].O=S(=O)(c1ccccc1)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,[Na+].O=S(=O)(c1ccccc1)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,"InChI=1/C22H17N3O6S2.Na/c23-17-11-10-14-12-16(33(29,30)31)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)32(27,28)15-6-2-1-3-7-15;/h1-13,26H,23H2,(H,29,30,31);/q;+1/p-1",C22H17N3O6S2.Na,,,,,,HJBFOCFLBVMVCF-UHFFFAOYSA-M,,,,,,,,,,,
100.025.782,228-360-6,6245-75-6,"N,N-bis(carboxymethyl)-ß-alanine","N,N-bis(carboxymethyl)-beta-alanine",OC(=O)CCN(CC(=O)O)CC(=O)O,OC(=O)CCN(CC(=O)O)CC(=O)O,"InChI=1/C7H11NO6/c9-5(10)1-2-8(3-6(11)12)4-7(13)14/h1-4H2,(H,9,10)(H,11,12)(H,13,14)",C7H11NO6,,,,,,UWRBFYBQPCJRRL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.784,228-362-7,6247-27-4,"2-(4,6-diamino-m-tolylazo)-4,6-dinitrophenol","2-[(2,4-diamino-5-methylphenyl)diazenyl]-4,6-dinitrophenol",Oc2c(cc(cc2N=Nc1cc(C)c(N)cc1N)[N+]([O-])=O)[N+]([O-])=O,Oc2c(cc(cc2N=Nc1cc(C)c(N)cc1N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C13H12N6O5/c1-6-2-10(9(15)5-8(6)14)16-17-11-3-7(18(21)22)4-12(13(11)20)19(23)24/h2-5,20H,14-15H2,1H3",C13H12N6O5,,,,,,ZQOQTVZVXAHHAW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.378,233-429-9,10155-52-9,"2-[4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-3-oxo-3H-pyrazol-2-yl]ethyl carbanilate","2-{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}ethyl phenylcarbamate",[O-][N+](=O)c3ccc(N=NC2C(\\C)=N/N(CCOC(=O)Nc1ccccc1)C2=O)c(Cl)c3,[O-][N+](=O)c3ccc(N=NC2C(\C)=N/N(CCOC(=O)Nc1ccccc1)C2=O)c(Cl)c3,"InChI=1/C19H17ClN6O5/c1-12-17(23-22-16-8-7-14(26(29)30)11-15(16)20)18(27)25(24-12)9-10-31-19(28)21-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,21,28)",C19H17ClN6O5,,,,,,TVLFDYXFHZZILW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.380,233-432-5,10161-34-9,"17ß-hydroxyestra-4,9,11-trien-3-one 17-acetate","3-oxoestra-4,9,11-trien-17-yl acetate",CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C,"InChI=1/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3",C20H24O3,,,,,,CMRJPMODSSEAPL-FYQPLNBISA-N,,,,,,,,,,,
100.030.383,233-435-1,10164-64-4,Tris(2-amino-1-methylethyl) borate,tris(2-amino-1-methylethyl) borate,CC(CN)OB(OC(C)CN)OC(C)CN,CC(CN)OB(OC(C)CN)OC(C)CN,"InChI=1/C9H24BN3O3/c1-7(4-11)14-10(15-8(2)5-12)16-9(3)6-13/h7-9H,4-6,11-13H2,1-3H3",C9H24BN3O3,,,,,,SMIBBGLDGBPYJI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.384,233-436-7,10168-80-6,Erbium trinitrate,erbium trinitrate,[Er+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Er+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Er.3NO3/c;3*2-1(3)4/q+3;3*-1,Er.3HNO3,,,,,,YBYGDBANBWOYIF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.385,233-437-2,10168-81-7,Gadolinium trinitrate,gadolinium trinitrate,[Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Gd.3NO3/c;3*2-1(3)4/q+3;3*-1,Gd.3HNO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18624,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.385,MWFSXYMZCVAQCC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.386,233-438-8,10168-82-8,Holmium trinitrate,holmium trinitrate,[Ho+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ho+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ho.3NO3/c;3*2-1(3)4/q+3;3*-1,HNO3.1/3Ho,,,,,,WDVGLADRSBQDDY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.388,233-440-9,10169-29-6,"Hexasodium 6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexyl hexasulphate","hexasodium dinaphtho[2,3-i:2,3-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexayl hexasulfate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OC1=C2C(=CC=C3C2=Nc4c3ccc5c(OS(=O)(=O)[O-])c6ccccc6c(OS(=O)(=O)[O-])c45)C(=C7C1=CC=C8C7=Nc9c8ccc%10c(OS(=O)(=O)[O-])c%11ccccc%11c(OS(=O)(=O)[O-])c9%10)OS(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OC1=C2C(=CC=C3C2=Nc4c3ccc5c(OS(=O)(=O)[O-])c6ccccc6c(OS(=O)(=O)[O-])c45)C(=C7C1=CC=C8C7=Nc9c8ccc%10c(OS(=O)(=O)[O-])c%11ccccc%11c(OS(=O)(=O)[O-])c9%10)OS(=O)(=O)[O-],"InChI=1/C42H22N2O24S6.6Na/c45-69(46,47)63-37-21-5-1-3-7-23(21)39(65-71(51,52)53)29-25(37)13-9-17-19-11-15-27-31(35(19)43-33(17)29)41(67-73(57,58)59)28-16-12-20-18-10-14-26-30(34(18)44-36(20)32(28)42(27)68-74(60,61)62)40(66-72(54,55)56)24-8-4-2-6-22(24)38(26)64-70(48,49)50;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6",C42H24N2O24S6.6Na,,,,,,XBPJUYZPVGGDEU-UHFFFAOYSA-H,,,,,,,,,,,
100.030.402,233-456-6,10184-66-4,Dimethyl (1-hydroxyethyl)phosphonate,dimethyl (1-hydroxyethyl)phosphonate,COP(=O)(OC)C(C)O,COP(=O)(OC)C(C)O,"InChI=1/C4H11O4P/c1-4(5)9(6,7-2)8-3/h4-5H,1-3H3",C4H11O4P,,,,,,KZHGNHTVCUWRKR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.407,233-461-3,10190-68-8,Disodium 2-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-sulphonatophenyl]-6-methylbenzothiazole-7-sulphonate,"disodium 2-[4-({1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].COc4ccccc4NC(=O)C(N=Nc1ccc(cc1S([O-])(=O)=O)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)C(C)=O,[Na+].[Na+].COc4ccccc4NC(=O)C(N=Nc1ccc(cc1S([O-])(=O)=O)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)C(C)=O,"InChI=1/C25H22N4O9S3.2Na/c1-13-8-10-18-22(23(13)41(35,36)37)39-25(27-18)15-9-11-17(20(12-15)40(32,33)34)28-29-21(14(2)30)24(31)26-16-6-4-5-7-19(16)38-3;;/h4-12,21H,1-3H3,(H,26,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C25H22N4O9S3.2Na,,,,,,WLDNGJFRVWQASY-UHFFFAOYSA-L,,,,,,,,,,,
100.030.409,233-463-4,10190-99-5,"Sodium 8-methoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylate","sodium 8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylate",[Na+].COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)[O-])[N+](=O)[O-],[Na+].COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)[O-])[N+](=O)[O-],"InChI=1/C17H11NO7.Na/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1",C17H11NO7.Na,,,,,,BQVOPWJSBBMGBR-UHFFFAOYSA-M,,,,,,,,,,,
100.030.410,233-465-5,10191-18-1,2-[bis(2-hydroxyethyl)amino]ethanesulphonic acid,2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid,OCCN(CCO)CCS(=O)(=O)O,OCCN(CCO)CCS(=O)(=O)O,"InChI=1/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)",C6H15NO5S,,,,,,AJTVSSFTXWNIRG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.412,233-467-6,10191-60-3,"S,S-dimethyl cyanoimidodithiocarbonate",dimethyl cyanodithioimidocarbonate,CSC(=NC#N)SC,CSC(=NC#N)SC,InChI=1/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3,C4H6N2S2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8286,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.412,IULFXBLVJIPESI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.418,233-473-9,10192-85-5,Potassium acrylate,potassium acrylate,[K+].[O-]C(=O)C=C,[K+].[O-]C(=O)C=C,"InChI=1/C3H4O2.K/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1",C3H4O2.K,,,,,,ZUBIJGNKOJGGCI-UHFFFAOYSA-M,,,,,,,,,,,
100.025.752,228-327-6,6227-20-9,"Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate","trisodium 3-({4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6N=Nc5c(cc4cc(Nc3ccccc3)ccc4c5O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6N=Nc5c(cc4cc(Nc3ccccc3)ccc4c5O)S([O-])(=O)=O,"InChI=1/C34H27N5O11S3.3Na/c1-19-13-28(38-39-33-32(53(47,48)49)15-20-14-22(11-12-24(20)34(33)40)35-21-7-4-3-5-8-21)29(50-2)18-27(19)37-36-23-16-26-25(31(17-23)52(44,45)46)9-6-10-30(26)51(41,42)43;;;/h3-18,35,40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C34H27N5O11S3.3Na,,,,,,VRVDFJOCCWSFLI-UHFFFAOYSA-K,,,,,,,,,,,
100.025.754,228-329-7,6228-25-7,"1,3-dioxane-5,5-dimethanol","1,3-dioxane-5,5-diyldimethanol",OCC1(CO)COCOC1,OCC1(CO)COCOC1,"InChI=1/C6H12O4/c7-1-6(2-8)3-9-5-10-4-6/h7-8H,1-5H2",C6H12O4,,,,,,ZTISUHQLYYPYFA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.692,230-461-5,7147-89-9,4-chloro-6-nitro-m-cresol,4-chloro-5-methyl-2-nitrophenol,Cc1cc(O)c(cc1Cl)[N+](=O)[O-],Cc1cc(O)c(cc1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3",C7H6ClNO3,,,,,,JBMGJOKJUYGIJH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.697,230-466-2,7148-74-5,2-bromopropionyl chloride,2-bromopropanoyl chloride,CC(Br)C(=O)Cl,CC(Br)C(=O)Cl,"InChI=1/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3",C3H4BrClO,,,,,,OZGMODDEIHYPRY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.698,230-467-8,7148-78-9,"(3,3-diethoxy-1-propenyl)benzene","(3,3-diethoxyprop-1-en-1-yl)benzene",CCOC(C=Cc1ccccc1)OCC,CCOC(C=Cc1ccccc1)OCC,"InChI=1/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3",C13H18O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7002,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.698,VYKDEWVAUWARRX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.700,230-469-9,7149-23-7,"1,1-digeranyloxy-2-phenylethane","{2,2-bis[(3,7-dimethylocta-2,6-dien-1-yl)oxy]ethyl}benzene",CC(=CCC\\C(=C\\COC(Cc1ccccc1)OC\\C=C(/C)\\CCC=C(C)C)\\C)C,CC(=CCC\C(=C\COC(Cc1ccccc1)OC\C=C(/C)\CCC=C(C)C)\C)C,"InChI=1/C28H42O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-19,28H,10-11,14-15,20-22H2,1-6H3",C28H42O2,,,,,,KJTMVMCIPAJMOH-XUWUHCBVSA-N,,,,,,,,,,,
100.027.701,230-470-4,7149-24-8,"1-(3,3-diethoxy-2-methylpropyl)-4-(isopropyl)benzene","1-(3,3-diethoxy-2-methylpropyl)-4-isopropylbenzene",CCOC(OCC)C(C)Cc1ccc(cc1)C(C)C,CCOC(OCC)C(C)Cc1ccc(cc1)C(C)C,"InChI=1/C17H28O2/c1-6-18-17(19-7-2)14(5)12-15-8-10-16(11-9-15)13(3)4/h8-11,13-14,17H,6-7,12H2,1-5H3",C17H28O2,,,,,,YZGBDMRJUNSBTG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.705,230-475-1,7149-34-0,"3,7,11-trimethyldodeca-1,6,10-trien-3-yl propionate","1,5,9-trimethyl-1-vinyldeca-4,8-dien-1-yl propionate",O=C(CC)OC(C)(CCC=C(C)CC\\C=C(/C)C)C=C,O=C(CC)OC(C)(CCC=C(C)CC\C=C(/C)C)C=C,"InChI=1/C18H30O2/c1-7-17(19)20-18(6,8-2)14-10-13-16(5)12-9-11-15(3)4/h8,11,13H,2,7,9-10,12,14H2,1,3-6H3",C18H30O2,,,,,,NPSBIIPKEQTFPA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.707,230-477-2,7149-42-0,1-methylpiperidine-4-methylamine,1-(1-methylpiperidin-4-yl)methanamine,CN1CCC(CN)CC1,CN1CCC(CN)CC1,"InChI=1/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3",C7H16N2,,,,,,AGTPSAZJSOQXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.711,230-481-4,7149-70-4,2-bromo-5-nitrotoluene,1-bromo-2-methyl-4-nitrobenzene,Cc1cc(ccc1Br)[N+](=O)[O-],Cc1cc(ccc1Br)[N+](=O)[O-],"InChI=1/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3",C7H6BrNO2,,,,,,HIMGPQVBNICCGL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.714,230-485-6,7150-55-2,4-chloro-4'-hydroxybutyrophenone,4-chloro-1-(4-hydroxyphenyl)butan-1-one,Oc1ccc(cc1)C(=O)CCCCl,Oc1ccc(cc1)C(=O)CCCCl,"InChI=1/C10H11ClO2/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6,12H,1-2,7H2",C10H11ClO2,,,,,,HZCPODPQEZHXHM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.715,230-486-1,7151-68-0,4-methyl-m-anisic acid,3-methoxy-4-methylbenzoic acid,COc1cc(ccc1C)C(=O)O,COc1cc(ccc1C)C(=O)O,"InChI=1/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)",C9H10O3,,,,,,CEAVPXDEPGAVDA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.719,230-490-3,2/09/7152,N-[4-phenyl-1-(phenylmethyl)-4-piperidylmethyl]formamide,N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide,O=CNCC1(CCN(Cc2ccccc2)CC1)c3ccccc3,O=CNCC1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C20H24N2O/c23-17-21-16-20(19-9-5-2-6-10-19)11-13-22(14-12-20)15-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,21,23)",C20H24N2O,,,,,,VPSVRBGAMQZWAC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.720,230-491-9,7152-15-0,Ethyl isobutyrylacetate,ethyl 4-methyl-3-oxopentanoate,CCOC(=O)CC(=O)C(C)C,CCOC(=O)CC(=O)C(C)C,"InChI=1/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3",C8H14O3,,,,,,XCLDSQRVMMXWMS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.725,230-497-1,7152-89-8,Ethyl 5-allyl-3-methoxysalicylate,ethyl 5-allyl-2-hydroxy-3-methoxybenzoate,CCOC(=O)c1cc(CC=C)cc(OC)c1O,CCOC(=O)c1cc(CC=C)cc(OC)c1O,"InChI=1/C13H16O4/c1-4-6-9-7-10(13(15)17-5-2)12(14)11(8-9)16-3/h4,7-8,14H,1,5-6H2,2-3H3",C13H16O4,,,,,,CXFVGZDWOVGSLW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.731,230-503-2,7154-27-0,(±)-N-(2-bromo-4-methyl-1-oxopentyl)-glycine,N-(2-bromo-4-methylpentanoyl)glycine,CC(C)CC(Br)C(=O)NCC(=O)O,CC(C)CC(Br)C(=O)NCC(=O)O,"InChI=1/C8H14BrNO3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4H2,1-2H3,(H,10,13)(H,11,12)",C8H14BrNO3,,,,,,PTUKJDOWJCFIBV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.735,230-507-4,7154-66-7,2-bromobenzoyl chloride,2-bromobenzoyl chloride,ClC(=O)c1ccccc1Br,ClC(=O)c1ccccc1Br,InChI=1/C7H4BrClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,C7H4BrClO,,,,,,NZCKTGCKFJDGFD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.823,210-805-0,623-65-4,Hexadecanoic anhydride,hexadecanoic anhydride,CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",C32H62O3,,,,,,QWZBEFCPZJWDKC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.825,210-807-1,623-68-7,2-butenoic anhydride,but-2-enoic anhydride,CC=CC(=O)OC(=O)C=CC,CC=CC(=O)OC(=O)C=CC,"InChI=1/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3",C8H10O3,,,,,,VJDDQSBNUHLBTD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.827,210-809-2,623-71-2,Ethyl 3-chloropropionate,ethyl 3-chloropropanoate,CCOC(=O)CCCl,CCOC(=O)CCCl,"InChI=1/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3",C5H9ClO2,,,,,,ZCLGVXACCAZJOX-UHFFFAOYSA-N,,,,,,,,,,,
100.009.830,210-812-9,623-78-9,Ethyl ethylcarbamate,ethyl ethylcarbamate,CCNC(=O)OCC,CCNC(=O)OCC,"InChI=1/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)",C5H11NO2,,,,,,GZXSDYYWLZERLF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.831,210-813-4,623-79-0,"O,S-diethyl dithiocarbonate","O,S-diethyl dithiocarbonate",CCOC(=S)SCC,CCOC(=S)SCC,"InChI=1/C5H10OS2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3",C5H10OS2,,,,,,JGZZEAPGGFAOAY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.836,210-819-7,623-91-6,Diethyl fumarate,diethyl but-2-enedioate,CCOC(=O)\\C=C\\C(=O)OCC,CCOC(=O)\C=C\C(=O)OCC,"InChI=1/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3",C8H12O4,,,,,,IEPRKVQEAMIZSS-AATRIKPKSA-N,,,,,,,,,,,
100.009.838,210-821-8,623-95-0,"1,3-dipropylurea","1,3-dipropylurea",CCCNC(=O)NCCC,CCCNC(=O)NCCC,"InChI=1/C7H16N2O/c1-3-5-8-7(10)9-6-4-2/h3-6H2,1-2H3,(H2,8,9,10)",C7H16N2O,,,,,,AWHORBWDEKTQAX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.081,208-888-3,545-46-0,"Urs-12-ene-3ß,28-diol","urs-12-ene-3,28-diol",C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C,C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C,"InChI=1/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3",C30H50O2,,,,,,XUARCIYIVXVTAE-ZAPOICBTSA-N,,,,,,,,,,,
100.008.098,208-907-5,546-63-4,Tricholine citrate,"tris(2-hydroxy-N,N,N-trimethylethanaminium) citrate",C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*7H,4-5H2,1-3H3/q;3*+1/p-3",C6H5O7.3C5H14NO,,,,,,RPERJPYDELTDMR-UHFFFAOYSA-K,,,,,,,,,,,
100.008.099,208-908-0,546-67-8,Lead tetraacetate,lead(4+) tetraacetate,[Pb+4].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O.[O-]C(C)=O,[Pb+4].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O.[O-]C(C)=O,"InChI=1/4C2H4O2.Pb/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4",C2H4O2.1/4Pb,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1560,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.099,JEHCHYAKAXDFKV-UHFFFAOYSA-J,,,,,,,,,,,
100.008.101,208-910-1,546-74-7,Sodium ethyl sulphate,sodium ethyl sulfate,[Na+].CCOS(=O)(=O)[O-],[Na+].CCOS(=O)(=O)[O-],"InChI=1/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1",C2H6O4S.Na,,,,,,RRLOOYQHUHGIRJ-UHFFFAOYSA-M,,,,,,,,,,,
100.008.108,208-918-5,547-25-1,Turanose,3-O-alpha-D-glucopyranosyl-alpha-D-fructopyranose,O[C@H]2[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@](O)(CO)OC[C@H]2O,O[C@H]2[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@](O)(CO)OC[C@H]2O,"InChI=1/C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14/h4-11,13-20H,1-3H2",C12H22O11,,,,,,SEWFWJUQVJHATO-UGDNZRGBSA-N,,,,,,,,,,,
100.008.113,208-923-2,547-56-8,Copper bis(p-hydroxybenzenesulphonate),copper(2+) bis(4-hydroxybenzenesulfonate),[Cu+2].O=S([O-])(=O)c1ccc(O)cc1.[O-]S(=O)(=O)c1ccc(O)cc1,[Cu+2].O=S([O-])(=O)c1ccc(O)cc1.[O-]S(=O)(=O)c1ccc(O)cc1,"InChI=1/2C6H6O4S.Cu/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2",C6H6O4S.1/2Cu,,,,,,VKUSBGMTLPOBET-UHFFFAOYSA-L,,,,,,,,,,,
100.008.114,208-924-8,547-57-9,"Sodium 4-(2,4-dihydroxyphenylazo)benzenesulphonate","sodium 4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonate",[Na+].Oc2cc(O)ccc2N=Nc1ccc(cc1)S([O-])(=O)=O,[Na+].Oc2cc(O)ccc2N=Nc1ccc(cc1)S([O-])(=O)=O,"InChI=1/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);/q;+1/p-1",C12H10N2O5S.Na,,,,,,COEZWFYORILMOM-UHFFFAOYSA-M,,,,,,,,,,,
100.008.115,208-925-3,547-58-0,Sodium 4-(4-dimethylaminophenylazo)benzenesulphonate,sodium 4-{[4-(dimethylamino)phenyl]diazenyl}benzenesulfonate,[Na+].CN(C)c2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2,[Na+].CN(C)c2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2,"InChI=1/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1",C14H15N3O3S.Na,,,,,,STZCRXQWRGQSJD-UHFFFAOYSA-M,,,,,,,,,,,
100.008.118,208-929-5,547-63-7,Methyl isobutyrate,methyl 2-methylpropanoate,COC(=O)C(C)C,COC(=O)C(C)C,"InChI=1/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3",C5H10O2,,,,,,BHIWKHZACMWKOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.122,208-933-7,547-67-1,Nickel oxalate,nickel(2+) oxalate,[Ni+2].[O-]C(=O)C(=O)[O-],[Ni+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Ni/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Ni,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2194,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.122,DOLZKNFSRCEOFV-UHFFFAOYSA-L,,,,,,,,,,,
100.007.250,207-974-8,503-66-2,3-hydroxypropionic acid,3-hydroxypropanoic acid,OCCC(=O)O,OCCC(=O)O,"InChI=1/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)",C3H6O3,,,,,,ALRHLSYJTWAHJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.787,228-365-3,6247-37-6,"4-[[4-(acetylmethylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","4-({4-[acetyl(methyl)amino]phenyl}amino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CN(C(=O)C)c1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,CN(C(=O)C)c1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,"InChI=1/C23H19N3O6S/c1-12(27)26(2)14-9-7-13(8-10-14)25-17-11-18(33(30,31)32)21(24)20-19(17)22(28)15-5-3-4-6-16(15)23(20)29/h3-11,25H,24H2,1-2H3,(H,30,31,32)",C23H19N3O6S,,,,,,WSRPJLLCAIEYPG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.790,228-369-5,6248-20-0,"2,4-dihydroxy-3-methylbenzaldehyde","2,4-dihydroxy-3-methylbenzaldehyde",Cc1c(O)ccc(C=O)c1O,Cc1c(O)ccc(C=O)c1O,"InChI=1/C8H8O3/c1-5-7(10)3-2-6(4-9)8(5)11/h2-4,10-11H,1H3",C8H8O3,,,,,,AOPMHYFEQDBXPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.791,228-370-0,6250-23-3,p-[[p-(phenylazo)phenyl]azo]phenol,4-{[4-(phenyldiazenyl)phenyl]diazenyl}phenol,Oc3ccc(N=Nc2ccc(N=Nc1ccccc1)cc2)cc3,Oc3ccc(N=Nc2ccc(N=Nc1ccccc1)cc2)cc3,"InChI=1/C18H14N4O/c23-18-12-10-17(11-13-18)22-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13,23H",C18H14N4O,,,,,,RTZYVAQWQXPIAC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.740,230-513-7,7161-73-1,(2-mercaptoethyl)trimethylammonium iodide,"N,N,N-trimethyl-2-sulfanylethanaminium iodide",[I-].C[N+](C)(C)CCS,[I-].C[N+](C)(C)CCS,"InChI=1/C5H13NS.HI/c1-6(2,3)4-5-7;/h4-5H2,1-3H3;1H",C5H14NS.I,,,,,,CTGNYPVJSIRPLG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.747,230-521-0,7170-45-8,3-(2-chlorophenoxy)propionic acid,3-(2-chlorophenoxy)propanoic acid,OC(=O)CCOc1ccccc1Cl,OC(=O)CCOc1ccccc1Cl,"InChI=1/C9H9ClO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)",C9H9ClO3,,,,,,UZFYWLRSVDZCSF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.748,230-522-6,7170-50-5,3-(3-chlorophenoxy)propionic acid,3-(3-chlorophenoxy)propanoic acid,OC(=O)CCOc1cccc(Cl)c1,OC(=O)CCOc1cccc(Cl)c1,"InChI=1/C9H9ClO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)",C9H9ClO3,,,,,,QSGKVNYPPAQLDO-UHFFFAOYSA-N,,,,,,,,,,,
100.029.508,232-464-7,8047-67-4,Iron saccharate,"iron(2+) 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Fe+2].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[Fe+2].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/C6H10O8.Fe/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2",-,,,,,,CNNKZWIFDPJSNU-SBBOJQDXSA-L,,,,,,,,,,,
100.029.509,232-465-2,8047-99-2,N-ethyl-o(or p)-toluenesulphonamide,N-ethyl-4-methylbenzenesulfonamide,CCNS(=O)(=O)c1ccc(C)cc1,CCNS(=O)(=O)c1ccc(C)cc1,"InChI=1/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3",C9H13NO2S,,,,,,OHPZPBNDOVQJMH-UHFFFAOYSA-N,Positive,UF419701|UF419702|UF419703|UF419704,[M+H]+,HCD55|HCD80|CID35|CID55,119.0607:91.0545:109.0651|91.0544:119.0607:109.0651|155.0166:119.0608:91.0545|155.0166:119.0607:91.0545,UFZ,,,,,
100.026.178,228-796-7,6359-25-7,"9-(2-carboxylatophenyl)-3,6-bis[(2,6-dimethylphenyl)amino]xanthylium","2-{3,6-bis[(2,6-dimethylphenyl)amino]xanthenium-9-yl}benzoate",Cc1cccc(C)c1Nc2ccc3c(c4ccccc4C(=O)[O-])c5ccc(Nc6c(C)cccc6C)cc5[o+]c3c2,Cc1cccc(C)c1Nc2ccc3c(c4ccccc4C(=O)[O-])c5ccc(Nc6c(C)cccc6C)cc5[o+]c3c2,"InChI=1/C36H30N2O3/c1-21-9-7-10-22(2)34(21)37-25-15-17-29-31(19-25)41-32-20-26(38-35-23(3)11-8-12-24(35)4)16-18-30(32)33(29)27-13-5-6-14-28(27)36(39)40/h5-20,37-38H,1-4H3",C36H30N2O3,,,,,,YFJZSHKBOHBCST-UHFFFAOYSA-M,,,,,,,,,,,
100.026.182,228-800-7,6359-50-8,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride","1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium chloride",[Cl-].CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C,[Cl-].CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C,"InChI=1/C22H25N2.ClH/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;/h5-14,16H,15H2,1-4H3;1H/q+1;/p-1",C22H25N2.Cl,,,,,,DSZCWNRVMXBILR-UHFFFAOYSA-M,,,,,,,,,,,
100.026.190,228-809-6,6359-83-7,"Disodium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoate","disodium 2-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoate",[Na+].[Na+].[O-]C(=O)c3ccccc3N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O,[Na+].[Na+].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O,"InChI=1/C17H14N4O6S.2Na/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2",C17H14N4O6S.2Na,,,,,,RTBLVNSNIFUUFC-UHFFFAOYSA-L,,,,,,,,,,,
100.027.363,230-099-8,6942-59-2,"2,2'-oxybisethyl dipropionate","oxydiethane-2,1-diyl dipropanoate",CCC(=O)OCCOCCOC(=O)CC,CCC(=O)OCCOCCOC(=O)CC,"InChI=1/C10H18O5/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h3-8H2,1-2H3",C10H18O5,,,,,,YMMVCTFOVNOGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.364,230-100-1,6942-99-0,"2,4-dibromo-1,3,5-trimethylbenzene","2,4-dibromo-1,3,5-trimethylbenzene",Cc1cc(C)c(Br)c(C)c1Br,Cc1cc(C)c(Br)c(C)c1Br,"InChI=1/C9H10Br2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3",C9H10Br2,,,,,,CIHJFEWFZJQTFE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.365,230-101-7,6943-65-3,"2,2'-ethylenebisisothiouronium dibromide","(ethane-1,2-diyldisulfanediyl)bis(aminomethaniminium) dibromide",[Br-].[Br-].NC(=[NH2+])SCCSC(=[NH2+])N,[Br-].[Br-].NC(=[NH2+])SCCSC(=[NH2+])N,"InChI=1/C4H10N4S2.2BrH/c5-3(6)9-1-2-10-4(7)8;;/h1-2H2,(H3,5,6)(H3,7,8);2*1H",C4H10N4S2.2BrH,,,,,,VABTXEYLYWGJRB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.366,230-102-2,6943-87-9,1-(methylthio)propan-2-ol,1-(methylsulfanyl)propan-2-ol,CSCC(C)O,CSCC(C)O,"InChI=1/C4H10OS/c1-4(5)3-6-2/h4-5H,3H2,1-2H3",C4H10OS,,,,,,VHMYGROEIUZTQW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.421,233-477-0,10193-36-9,Tetrahydroxysilane,orthosilicic acid,O[Si](O)(O)O,O[Si](O)(O)O,"InChI=1/H4O4Si/c1-5(2,3)4/h1-4H",H4O4Si,,,,,,RMAQACBXLXPBSY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.422,233-478-6,10193-62-1,"p,p'-diazidostilbene","1,1'-(ethene-1,2-diyldi-4,1-phenylene)bis(2lambda~5~-triaz-1-en-2-yne)",N#N=Nc1ccc(C=Cc2ccc(cc2)N=N#N)cc1,N#N=Nc1ccc(C=Cc2ccc(cc2)N=N#N)cc1,InChI=1/C14H10N6/c15-19-17-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)18-20-16/h1-10H,C14H10N6,,,,,,HWEONUWVYWIJPF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.265,228-891-3,6370-91-8,"Sodium 9,10-dihydro-1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxoanthracene-2-sulphonate","sodium 1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CNc1ccc(O)c2C(=O)c3c(NC)cc(c(O)c3C(=O)c12)S(=O)(=O)[O-],[Na+].CNc1ccc(O)c2C(=O)c3c(NC)cc(c(O)c3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C16H14N2O7S.Na/c1-17-6-3-4-8(19)12-10(6)16(22)13-11(15(12)21)7(18-2)5-9(14(13)20)26(23,24)25;/h3-5,17-20H,1-2H3,(H,23,24,25);/q;+1/p-1",C16H14N2O7S.Na,,,,,,XOHRRWJKOPPAKU-UHFFFAOYSA-M,,,,,,,,,,,
100.026.269,228-896-0,6371-38-6,"5,7-dichloro-2-(5,7-dichloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one","5,5',7,7'-tetrachloro-2,2'-biindole-3,3'(1H,1'H)-dione",O=C3c4cc(Cl)cc(Cl)c4NC3=C2Nc1c(Cl)cc(Cl)cc1C2=O,O=C3c4cc(Cl)cc(Cl)c4NC3=C2Nc1c(Cl)cc(Cl)cc1C2=O,"InChI=1/C16H6Cl4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H",C16H6Cl4N2O2,,,,,,ZMTSIOINQVCKKT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.270,228-897-6,6371-50-2,"N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-[4-amino-3-(5,10-dioxo-5,10-dihydroanthra[2,3-d][1,3]thiazol-2-yl)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide",Nc1c(cc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13)c5nc6cc7C(=O)c8ccccc8C(=O)c7cc6s5,Nc1c(cc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13)c5nc6cc7C(=O)c8ccccc8C(=O)c7cc6s5,"InChI=1/C36H19N3O5S/c37-30-24(36-39-25-14-22-23(16-27(25)45-36)32(41)19-11-5-4-10-18(19)31(22)40)15-26(38-35(44)17-8-2-1-3-9-17)28-29(30)34(43)21-13-7-6-12-20(21)33(28)42/h1-16H,37H2,(H,38,44)",C36H19N3O5S,,,,,,LSCZRKJYCZGWDE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.273,228-900-0,6371-84-2,"Sodium 4-[[3-[(2,4-dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate","sodium 4-({3-[(2,4-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)benzenesulfonate",[Na+].Oc2c(ccc(O)c2N=Nc1ccc(C)cc1C)N=Nc3ccc(cc3)S([O-])(=O)=O,[Na+].Oc2c(ccc(O)c2N=Nc1ccc(C)cc1C)N=Nc3ccc(cc3)S([O-])(=O)=O,"InChI=1/C20H18N4O5S.Na/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29;/h3-11,25-26H,1-2H3,(H,27,28,29);/q;+1/p-1",C20H18N4O5S.Na,,,,,,FIKBURFLPVUDAX-UHFFFAOYSA-M,,,,,,,,,,,
100.026.279,228-906-3,6372-81-2,Barium bis[2-[(2-hydroxy-1-naphthyl)azo]benzoate],barium bis{2-[(2-hydroxy-1-naphthyl)diazenyl]benzoate},[Ba+2].[O-]C(=O)c3ccccc3N=Nc1c2ccccc2ccc1O.[O-]C(=O)c3ccccc3N=Nc1c2ccccc2ccc1O,[Ba+2].[O-]C(=O)c3ccccc3N=Nc1c2ccccc2ccc1O.[O-]C(=O)c3ccccc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C17H12N2O3.Ba/c2*20-15-10-9-11-5-1-2-6-12(11)16(15)19-18-14-8-4-3-7-13(14)17(21)22;/h2*1-10,20H,(H,21,22);/q;;+2/p-2",C17H12N2O3.1/2Ba,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16340,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.279,HEQCHSSPWMWXBH-UHFFFAOYSA-L,,,,,,,,,,,
100.026.280,228-907-9,6372-96-9,Sodium 5-chloro-2-(5-hydroxy-3-methyl-4-(4-((4-methylphenyl)sulphonyloxy)phenylazo)pyrazol-1-yl)benzenesulphonate,sodium 5-chloro-2-{5-hydroxy-3-methyl-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-1H-pyrazol-1-yl}benzenesulfonate,[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc4c(C)nn(c3ccc(Cl)cc3S([O-])(=O)=O)c4O,[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc4c(C)nn(c3ccc(Cl)cc3S([O-])(=O)=O)c4O,"InChI=1/C23H19ClN4O7S2.Na/c1-14-3-10-19(11-4-14)37(33,34)35-18-8-6-17(7-9-18)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32;/h3-13,29H,1-2H3,(H,30,31,32);/q;+1/p-1",C23H19ClN4O7S2.Na,,,,,,UMQAIKKJIZYHQC-UHFFFAOYSA-M,,,,,,,,,,,
100.026.288,228-916-8,6373-31-5,"6,10,12-trichloronaphth[2,3-c]acridine-5,8,14(13H)-trione","6,10,12-trichloronaphtho[2,3-c]acridine-5,8,14(13H)-trione",Clc1cc(Cl)c2Nc3c(cc(Cl)c4C(=O)c5ccccc5C(=O)c34)C(=O)c2c1,Clc1cc(Cl)c2Nc3c(cc(Cl)c4C(=O)c5ccccc5C(=O)c34)C(=O)c2c1,"InChI=1/C21H8Cl3NO3/c22-8-5-11-17(14(24)6-8)25-18-12(19(11)26)7-13(23)15-16(18)21(28)10-4-2-1-3-9(10)20(15)27/h1-7H,(H,25,26)",C21H8Cl3NO3,,,,,,SQAQTWYUQXFOMH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.298,228-927-8,6374-78-3,"1-amino-4,5,8-trihydroxyanthraquinone","1-amino-4,5,8-trihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,"InChI=1/C14H9NO5/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,16-18H,15H2",C14H9NO5,,,,,,XOWIUAITUCBCNN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.499,230-248-7,6983-79-5,"Methyl (9-cis)-hydrogen-6,6'-diapo-<U+03C8>,<U+03C8>-carotenedioate","20-methoxy-4,8,12,16-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid",COC(=O)\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\C=C/C=C(\\C)/C=C\\C=C(\\C)/C=C\\C(=O)O,COC(=O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C/C=C(\C)/C=C\C=C(\C)/C=C\C(=O)O,"InChI=1/C25H30O4/c1-20(12-7-13-22(3)16-9-17-25(28)29-5)10-6-11-21(2)14-8-15-23(4)18-19-24(26)27/h6-19H,1-5H3,(H,26,27)",C25H30O4,,,,,,PETQSXXQDKKRJS-OWLMNNLMSA-N,,,,,,,,,,,
100.025.921,228-512-1,9/06/6285,3-ethylpent-1-yn-3-ol,3-ethylpent-1-yn-3-ol,CCC(O)(CC)C#C,CCC(O)(CC)C#C,"InChI=1/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3",C7H12O,,,,,,PUNRPAWKFTXZIW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.736,230-509-5,7154-73-6,N-(2-aminoethyl)pyrrolidine,2-pyrrolidin-1-ylethanamine,NCCN1CCCC1,NCCN1CCCC1,InChI=1/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2,C6H14N2,,,,,,WRXNJTBODVGDRY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.739,230-512-1,7158-25-0,"3a,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-dimethano-1H-benz[f]indene","3a,4,4a,5,8,8a,9,9a-octahydro-1H-4,9:5,8-dimethanocyclopenta[b]naphthalene",C1C=CC2C1C3CC2C4C5CC(C=C5)C34,C1C=CC2C1C3CC2C4C5CC(C=C5)C34,"InChI=1/C15H18/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h1-2,4-5,8-15H,3,6-7H2",C15H18,,,,,,XCGKRTHKVBCXLN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.492,226-940-3,5569-45-9,4-(ethylnitrosoamino)-4-methylpentan-2-one,4-[ethyl(nitroso)amino]-4-methylpentan-2-one,CCN(N=O)C(C)(C)CC(=O)C,CCN(N=O)C(C)(C)CC(=O)C,"InChI=1/C8H16N2O2/c1-5-10(9-12)8(3,4)6-7(2)11/h5-6H2,1-4H3",C8H16N2O2,,,,,,USFXMVDSQZKGGP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.493,226-941-9,5570-66-1,"2,2'-methylenebis[1,3-dioxolane-4-butanol]","4,4'-(methylenedi-1,3-dioxolane-2,4-diyl)dibutan-1-ol",OCCCCC1COC(CC2OCC(CCCCO)O2)O1,OCCCCC1COC(CC2OCC(CCCCO)O2)O1,"InChI=1/C15H28O6/c16-7-3-1-5-12-10-18-14(20-12)9-15-19-11-13(21-15)6-2-4-8-17/h12-17H,1-11H2",C15H28O6,,,,,,NEMCLMHTLVEMKK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.131,228-744-3,6343-88-0,(oxydiethylene)bis[trimethylammonium] dichloride,"2,2'-oxybis(N,N,N-trimethylethanaminium) dichloride",[Cl-].[Cl-].C[N+](C)(C)CCOCC[N+](C)(C)C,[Cl-].[Cl-].C[N+](C)(C)CCOCC[N+](C)(C)C,"InChI=1/C10H26N2O.2ClH/c1-11(2,3)7-9-13-10-8-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2",C10H26N2O.2Cl,,,,,,ZIZKLQTXPYJWMU-UHFFFAOYSA-L,,,,,,,,,,,
100.026.135,228-749-0,6345-29-5,Bis[hydroxyguanidinium] sulphate,bis[carbamimidoyl(hydroxy)ammonium] sulfate,NC(=N)[NH2+]O.NC(=N)[NH2+]O.[O-]S(=O)(=O)[O-],NC(=N)[NH2+]O.NC(=N)[NH2+]O.[O-]S(=O)(=O)[O-],"InChI=1/2CH5N3O.H2O4S/c2*2-1(3)4-5;1-5(2,3)4/h2*5H,(H4,2,3,4);(H2,1,2,3,4)",CH5N3O.1/2H2O4S,,,,,,MTGDDPZRXSDPFH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.142,228-756-9,6357-85-3,3-hydroxynaphthalenesulphonic acid,3-hydroxynaphthalene-1-sulfonic acid,Oc1cc(c2ccccc2c1)S(=O)(=O)O,Oc1cc(c2ccccc2c1)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-8-5-7-3-1-2-4-9(7)10(6-8)15(12,13)14/h1-6,11H,(H,12,13,14)",C10H8O4S,,,,,,RZMZJYAMZGWBLB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.145,228-760-0,2/07/6358,2-amino-4-chloro-5-nitrophenol,2-amino-4-chloro-5-nitrophenol,Nc1cc(Cl)c(cc1O)[N+](=O)[O-],Nc1cc(Cl)c(cc1O)[N+](=O)[O-],"InChI=1/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H2",C6H5ClN2O3,,,,,,ZARYBZGMUVAJMK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.148,228-763-7,6358-15-2,"2-amino-3,4,6-trichlorophenol","2-amino-3,4,6-trichlorophenol",Nc1c(O)c(Cl)cc(Cl)c1Cl,Nc1c(O)c(Cl)cc(Cl)c1Cl,"InChI=1/C6H4Cl3NO/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H,10H2",C6H4Cl3NO,,,,,,QQDKXJSYZGJGKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.150,228-765-8,6358-26-5,4-[(9-ethyl-9H-carbazol-3-yl)amino]phenol,4-[(9-ethyl-9H-carbazol-3-yl)amino]phenol,CCn1c2ccccc2c3cc(Nc4ccc(O)cc4)ccc13,CCn1c2ccccc2c3cc(Nc4ccc(O)cc4)ccc13,"InChI=1/C20H18N2O/c1-2-22-19-6-4-3-5-17(19)18-13-15(9-12-20(18)22)21-14-7-10-16(23)11-8-14/h3-13,21,23H,2H2,1H3",C20H18N2O,,,,,,HJAHTYAEYAVPTB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.153,228-768-4,6358-31-2,2-[(2-methoxy-4-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxobutyramide,2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide,COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1OC)[N+]([O-])=O,COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1OC)[N+]([O-])=O,"InChI=1/C18H18N4O6/c1-11(23)17(18(24)19-13-6-4-5-7-15(13)27-2)21-20-14-9-8-12(22(25)26)10-16(14)28-3/h4-10,17H,1-3H3,(H,19,24)",C18H18N4O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15183,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.153,ZTISORAUJJGACZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.155,228-771-0,6358-37-8,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methylphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(4-methylphenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3)c(Cl)c4,"InChI=1/C34H30Cl2N6O4/c1-19-5-11-25(12-6-19)37-33(45)31(21(3)43)41-39-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)40-42-32(22(4)44)34(46)38-26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)",C34H30Cl2N6O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13809,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.155,UCUHCYVCVYRSER-UHFFFAOYSA-N,,,,,,,,,,,
100.026.158,228-774-7,6358-47-0,3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-(3-nitrophenyl)naphthalene-2-carboxamide,3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-(3-nitrophenyl)-2-naphthamide,[O-][N+](=O)c1cccc(c1)NC(=O)c4cc2ccccc2c(N=Nc3cc(ccc3C)[N+]([O-])=O)c4O,[O-][N+](=O)c1cccc(c1)NC(=O)c4cc2ccccc2c(N=Nc3cc(ccc3C)[N+]([O-])=O)c4O,"InChI=1/C24H17N5O6/c1-14-9-10-18(29(34)35)13-21(14)26-27-22-19-8-3-2-5-15(19)11-20(23(22)30)24(31)25-16-6-4-7-17(12-16)28(32)33/h2-13,30H,1H3,(H,25,31)",C24H17N5O6,,,,,,VOQHKBYZRLXPBY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.310,230-041-1,6921-98-8,"N,N'-methylenebisformamide","N,N'-methylenediformamide",O=CNCNC=O,O=CNCNC=O,"InChI=1/C3H6N2O2/c6-2-4-1-5-3-7/h2-3H,1H2,(H,4,6)(H,5,7)",C3H6N2O2,,,,,,QPJQPYQZFKFTHG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.252,207-976-9,503-86-6,"2-amino-1,5-dihydro-4H-imidazol-4-one","2-amino-1,5-dihydro-4H-imidazol-4-one",NC1=NC(=O)CN1,NC1=NC(=O)CN1,"InChI=1/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)",C3H5N3O,,,,,,TYKJILJOXAHUFO-UHFFFAOYSA-N,,,,,,,,,,,
100.007.255,207-980-0,504-02-9,"Cyclohexane-1,3-dione","cyclohexane-1,3-dione",O=C1CCCC(=O)C1,O=C1CCCC(=O)C1,InChI=1/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2,C6H8O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13587,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.255,HJSLFCCWAKVHIW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.058,209-962-8,599-01-9,"3,3,3-trichlorolactic acid","3,3,3-trichloro-2-hydroxypropanoic acid",OC(C(=O)O)C(Cl)(Cl)Cl,OC(C(=O)O)C(Cl)(Cl)Cl,"InChI=1/C3H3Cl3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)",C3H3Cl3O3,,,,,,PBXLMODGBAXKQR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.062,209-967-5,599-61-1,"3,3'-sulphonyldianiline","3,3'-sulfonyldianiline",Nc1cccc(c1)S(=O)(=O)c2cccc(N)c2,Nc1cccc(c1)S(=O)(=O)c2cccc(N)c2,"InChI=1/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2",C12H12N2O2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5895,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.062,LJGHYPLBDBRCRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.064,209-969-6,599-66-6,Di-p-tolyl sulphone,"1,1'-sulfonylbis(4-methylbenzene)",Cc1ccc(cc1)S(=O)(=O)c2ccc(C)cc2,Cc1ccc(cc1)S(=O)(=O)c2ccc(C)cc2,"InChI=1/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14O2S,,,,,,WEAYCYAIVOIUMG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.066,209-971-7,599-69-9,"N,N-dimethyl-p-toluenesulphonamide","N,N,4-trimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(C)cc1,CN(C)S(=O)(=O)c1ccc(C)cc1,"InChI=1/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3",C9H13NO2S,,,,,,WZKOKGOAHBIPCI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.067,209-972-2,599-70-2,(ethylsulphonyl)benzene,(ethylsulfonyl)benzene,CCS(=O)(=O)c1ccccc1,CCS(=O)(=O)c1ccccc1,"InChI=1/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8H10O2S,,,,,,VBQUDDWATQWCPP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.070,209-975-9,599-86-0,N-(p-tolyl)-p-toluenesulphonamide,4-methyl-N-(4-methylphenyl)benzenesulfonamide,Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,"InChI=1/C14H15NO2S/c1-11-3-7-13(8-4-11)15-18(16,17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3",C14H15NO2S,,,,,,GPLXRIVINNIQFY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.073,209-979-0,599-94-0,"1,1'-[ethane-1,2-diylbis(sulphonyl)]bisbenzene","1,1'-(ethane-1,2-diyldisulfonyl)dibenzene",O=S(=O)(CCS(=O)(=O)c1ccccc1)c2ccccc2,O=S(=O)(CCS(=O)(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H14O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-10H,11-12H2",C14H14O4S2,,,,,,ULELOBVZIKJPAC-UHFFFAOYSA-N,,,,,,,,,,,
100.009.082,209-989-5,600-24-8,2-nitrobutane,2-nitrobutane,CCC(C)[N+](=O)[O-],CCC(C)[N+](=O)[O-],"InChI=1/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3",C4H9NO2,,,,,,SUGZATOHBPXTDV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.084,209-991-6,600-28-2,"2,3-dimethyl-1H-pyrrole","2,3-dimethyl-1H-pyrrole",Cc1cc[nH]c1C,Cc1cc[nH]c1C,"InChI=1/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3",C6H9N,,,,,,OUYLXVQKVBXUGW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.093,210-002-5,601-34-3,Cholest-5-ene-3-beta-yl palmitate,cholest-5-en-3-yl palmitate,CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3",C43H76O2,,,,,,BBJQPKLGPMQWBU-JADYGXMDSA-N,,,,,,,,,,,
100.009.105,210-015-6,602-37-9,1-chloro-8-nitronaphthalene,1-chloro-8-nitronaphthalene,[O-][N+](=O)c1cccc2cccc(Cl)c12,[O-][N+](=O)c1cccc2cccc(Cl)c12,InChI=1/C10H6ClNO2/c11-8-5-1-3-7-4-2-6-9(10(7)8)12(13)14/h1-6H,C10H6ClNO2,,,,,,QOHQXCPALCHOID-UHFFFAOYSA-N,,,,,,,,,,,
100.006.421,207-061-4,429-72-1,Methylsilylidyne tris(trifluoroacetate),methylsilanetriyl tris(trifluoroacetate),C[Si](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F,C[Si](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F,"InChI=1/C7H3F9O6Si/c1-23(20-2(17)5(8,9)10,21-3(18)6(11,12)13)22-4(19)7(14,15)16/h1H3",C7H3F9O6Si,,,,,,MNUAXOMKLTTWDO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.422,207-063-5,429-77-6,Tribenzylfluorostannane,tribenzyl(fluoro)stannane,F[Sn](Cc1ccccc1)(Cc2ccccc2)Cc3ccccc3,F[Sn](Cc1ccccc1)(Cc2ccccc2)Cc3ccccc3,"InChI=1/3C7H7.FH.Sn/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q;;;;+1/p-1/rC21H21FSn/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2",C21H21FSn,,,,,,ZINYRHGURQDAOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.006.428,207-069-8,431-03-8,Butanedione,biacetyl,CC(=O)C(=O)C,CC(=O)C(=O)C,InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H3,C4H6O2,,,,,,QSJXEFYPDANLFS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.429,207-070-3,431-06-1,"1,2-dichloro-1,2-difluoroethane","1,2-dichloro-1,2-difluoroethane",FC(Cl)C(F)Cl,FC(Cl)C(F)Cl,InChI=1/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H,C2H2Cl2F2,,,,,,IDSKMUOSMAUASS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.369,230-105-9,6946-15-2,3-hydroxy-4-methyl-2-nitrobenzoic acid,3-hydroxy-4-methyl-2-nitrobenzoic acid,Cc1ccc(C(=O)O)c(c1O)[N+](=O)[O-],Cc1ccc(C(=O)O)c(c1O)[N+](=O)[O-],"InChI=1/C8H7NO5/c1-4-2-3-5(8(11)12)6(7(4)10)9(13)14/h2-3,10H,1H3,(H,11,12)",C8H7NO5,,,,,,HEKGHQKEERXLOI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.372,230-109-0,6946-66-3,3-methylbutyl 1-hydroxycyclohexaneacetate,3-methylbutyl (1-hydroxycyclohexyl)acetate,CC(C)CCOC(=O)CC1(O)CCCCC1,CC(C)CCOC(=O)CC1(O)CCCCC1,"InChI=1/C13H24O3/c1-11(2)6-9-16-12(14)10-13(15)7-4-3-5-8-13/h11,15H,3-10H2,1-2H3",C13H24O3,,,,,,YPZJKRRAQSWQCI-UHFFFAOYSA-N,,,,,,,,,,,
100.029.000,231-900-3,7778-18-9,Calcium sulfate,calcium sulfate,[Ca+2].[O-]S(=O)(=O)[O-],[Ca+2].[O-]S(=O)(=O)[O-],"InChI=1/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Ca.H2O4S,Full,Joint,10000000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15878,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.000,OSGAYBCDTDRGGQ-UHFFFAOYSA-L,,,,,,,,,,,
100.029.001,231-901-9,7778-39-4,Arsenic acid,arsenic acid,O[As](=O)(O)O,O[As](=O)(O)O,"InChI=1/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)",AsH3O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14118,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.001,DJHGAFSJWGLOIV-UHFFFAOYSA-N,,,,,,,,,,,
100.029.002,231-902-4,7778-43-0,Disodium hydrogenarsenate,disodium hydrogen arsenate,[Na+].[Na+].O[As](=O)([O-])[O-],[Na+].[Na+].O[As](=O)([O-])[O-],"InChI=1/AsH3O4.2Na/c2-1(3,4)5;;/h(H3,2,3,4,5);;/q;2*+1/p-2",AsH3O4.2Na,,,,,,IHZDYHDJAVUIBH-UHFFFAOYSA-L,,,,,,,,,,,
100.029.007,231-908-7,7778-54-3,Calcium hypochlorite,calcium dihypochlorite,[Ca+2].[O-]Cl.[O-]Cl,[Ca+2].[O-]Cl.[O-]Cl,InChI=1/Ca.2ClO/c;2*1-2/q+2;2*-1,Ca.2ClHO,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1611,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.007,ZKQDCIXGCQPQNV-UHFFFAOYSA-N,,,,,,,,,,,
100.029.008,231-909-2,7778-66-7,Potassium hypochlorite,potassium hypochlorite,[K+].[O-]Cl,[K+].[O-]Cl,InChI=1/ClO.K/c1-2;/q-1;+1,ClHO.K,,,,,,SATVIFGJTRRDQU-UHFFFAOYSA-N,,,,,,,,,,,
100.029.010,231-911-3,7778-73-6,Potassium pentachlorophenolate,potassium pentachlorophenolate,[K+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,[K+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6HCl5O.K/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1,C6HCl5O.K,,,,,,WYQQGYULUDOPRU-UHFFFAOYSA-M,,,,,,,,,,,
100.029.017,231-919-7,7778-96-3,"(S)-3,7-dimethyloct-7-enyl isovalerate","3,7-dimethyloct-7-en-1-yl 3-methylbutanoate",CC(C)CC(=O)OCC[C@@H](C)CCCC(=C)C,CC(C)CC(=O)OCC[C@@H](C)CCCC(=C)C,"InChI=1/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h13-14H,1,6-11H2,2-5H3",C15H28O2,,,,,,OZAWINZSOFVOBJ-AWEZNQCLSA-N,,,,,,,,,,,
100.029.021,231-923-9,7779-25-1,"Citric acid, magnesium salt",magnesium 2-(carboxymethyl)-2-hydroxysuccinate,[Mg+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],[Mg+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2",C6H8O7.xMg,,,,,,DIXGJWCZQHXZNR-UHFFFAOYSA-L,,,,,,,,,,,
100.029.022,231-924-4,7779-27-3,"Hexahydro-1,3,5-triethyl-1,3,5-triazine","1,3,5-triethyl-1,3,5-triazinane",CCN1CN(CC)CN(CC)C1,CCN1CN(CC)CN(CC)C1,"InChI=1/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H3",C9H21N3,,,,,,XYRTVIAPRQLSOW-UHFFFAOYSA-N,,,,,,,,,,,
100.029.025,231-928-6,7779-41-1,"1,1-dimethoxydecane","1,1-dimethoxydecane",CCCCCCCCCC(OC)OC,CCCCCCCCCC(OC)OC,"InChI=1/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3",C12H26O2,,,,,,NCRNCSZWOOYBQF-UHFFFAOYSA-N,,,,,,,,,,,
100.029.027,231-930-7,7779-63-7,"Iron (9Z,12Z)-octadeca-9,12-dienoate","iron(2+) dioctadeca-9,12-dienoate",[Fe].OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC,[Fe].OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,"InChI=1/C18H32O2.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+2",C18H32O2.xFe,,,,,,LAZWNWCHWDSAMN-NBTZWHCOSA-N,,,,,,,,,,,
100.029.030,231-933-3,7779-70-6,Isopentyl nonanoate,3-methylbutyl nonanoate,CCCCCCCCC(=O)OCCC(C)C,CCCCCCCCC(=O)OCCC(C)C,"InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3",C14H28O2,,,,,,SHGMLOSSRPFLKG-UHFFFAOYSA-N,,,,,,,,,,,
100.029.033,231-937-5,7779-75-1,Isobutyl acetoacetate,isobutyl 3-oxobutanoate,CC(C)COC(=O)CC(=O)C,CC(C)COC(=O)CC(=O)C,"InChI=1/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3",C8H14O3,,,,,,ZYXNLVMBIHVDRH-UHFFFAOYSA-N,,,,,,,,,,,
100.029.034,231-938-0,7779-77-3,Isobutyl anthranilate,isobutyl 2-aminobenzoate,CC(C)COC(=O)c1ccccc1N,CC(C)COC(=O)c1ccccc1N,"InChI=1/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3",C11H15NO2,,,,,,ILCLJQFCMRCPNM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.806,228-386-8,6256-31-1,"o-chloro-a,a-dimethylphenethyl alcohol",1-(2-chlorophenyl)-2-methylpropan-2-ol,CC(C)(O)Cc1ccccc1Cl,CC(C)(O)Cc1ccccc1Cl,"InChI=1/C10H13ClO/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3",C10H13ClO,,,,,,VPCZPZMZROSBOP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.810,228-391-5,6/06/6258,"Sodium 1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Br)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Br)cc1S(=O)(=O)[O-],"InChI=1/C14H8BrNO5S.Na/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18;/h1-5H,16H2,(H,19,20,21);/q;+1/p-1",C14H8BrNO5S.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10675,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.810,TXMRAEGWZZVGIH-UHFFFAOYSA-M,,,,,,,,,,,
100.025.927,228-518-4,6287-35-0,Ethyl 3-anilinocrotonate,ethyl 3-anilinobut-2-enoate,CCOC(=O)\\C=C(\\C)/Nc1ccccc1,CCOC(=O)\C=C(\C)/Nc1ccccc1,"InChI=1/C12H15NO2/c1-3-15-12(14)9-10(2)13-11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3",C12H15NO2,,,,,,NLGDIRPNWGZGLI-KTKRTIGZSA-N,,,,,,,,,,,
100.025.929,228-521-0,6287-40-7,Dibutylammonium chloride,N-butylbutan-1-aminium chloride,[Cl-].CCCC[NH2+]CCCC,[Cl-].CCCC[NH2+]CCCC,"InChI=1/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H",C8H19N.ClH,,,,,,ODYNBECIRXXOGG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.935,228-527-3,6289-31-2,Allyl stearate,allyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC=C,CCCCCCCCCCCCCCCCCC(=O)OCC=C,"InChI=1/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h4H,2-3,5-20H2,1H3",C21H40O2,,,,,,HPCIWDZYMSZAEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.938,228-531-5,6289-81-2,"Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate","sodium 2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonate",[Na+].OC1(CCc2ccccc2C1)S(=O)(=O)[O-],[Na+].OC1(CCc2ccccc2C1)S(=O)(=O)[O-],"InChI=1/C10H12O4S.Na/c11-10(15(12,13)14)6-5-8-3-1-2-4-9(8)7-10;/h1-4,11H,5-7H2,(H,12,13,14);/q;+1/p-1",C10H12O4S.Na,,,,,,OFAVWESIADENLA-UHFFFAOYSA-M,,,,,,,,,,,
100.025.939,228-532-0,5/03/6290,"(R)-(-)-butane-1,3-diol","butane-1,3-diol",C[C@@H](O)CCO,C[C@@H](O)CCO,"InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",C4H10O2,,,,,,PUPZLCDOIYMWBV-SCSAIBSYSA-N,,,,,,,,,,,
100.025.941,228-534-1,6290-13-7,Cyclopentyl butyrate,cyclopentyl butyrate,CCCC(=O)OC1CCCC1,CCCC(=O)OC1CCCC1,"InChI=1/C9H16O2/c1-2-5-9(10)11-8-6-3-4-7-8/h8H,2-7H2,1H3",C9H16O2,,,,,,OZORRWASBYZFPY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.945,228-538-3,6290-37-5,2-phenylethyl hexanoate,2-phenylethyl hexanoate,CCCCCC(=O)OCCc1ccccc1,CCCCCC(=O)OCCc1ccccc1,"InChI=1/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3",C14H20O2,,,,,,BUYNWUMUDHPPDS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.949,228-543-0,6291-65-2,Dipotassium methanedisulphonate,dipotassium methanedisulfonate,[K+].[K+].[O-]S(=O)(=O)CS(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)CS(=O)(=O)[O-],"InChI=1/CH4O6S2.2K/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;/q;2*+1/p-2",CH4O6S2.2K,,,,,,JSXPCVUETJIQHE-UHFFFAOYSA-L,,,,,,,,,,,
100.025.955,228-549-3,6292-68-8,"3,3'-thiodipropionodihydrazide","3,3'-sulfanediyldipropanehydrazide",NNC(=O)CCSCCC(=O)NN,NNC(=O)CCSCCC(=O)NN,"InChI=1/C6H14N4O2S/c7-9-5(11)1-3-13-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)",C6H14N4O2S,,,,,,BFPOTPQZZKKKIR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.957,228-551-4,6293-37-4,2-ethylhexyl propionate,2-ethylhexyl propionate,CCCCC(CC)COC(=O)CC,CCCCC(CC)COC(=O)CC,"InChI=1/C11H22O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h10H,4-9H2,1-3H3",C11H22O2,,,,,,GUHQWKGQAYBNEW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.958,228-553-5,6293-52-3,Imidazole-4-methanol monopicrate,"1H-imidazol-4-ylmethanol - 2,4,6-trinitrophenol (1:1)",OCc1cncn1.[O-][N+](=O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O,OCc1cncn1.[O-][N+](=O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C6H3N3O7.C4H6N2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-2-4-1-5-3-6-4/h1-2,10H;1,3,7H,2H2,(H,5,6)",C6H3N3O7.C4H6N2O,,,,,,ZSHKBAUJMQICOD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.960,228-555-6,6294-17-3,1-bromo-6-chlorohexane,1-bromo-6-chlorohexane,ClCCCCCCBr,ClCCCCCCBr,InChI=1/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2,C6H12BrCl,,,,,,JTYUIAOHIYZBPB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.962,228-557-7,6294-34-4,Bis(2-chloroethyl) 2-chloroethylphosphonate,bis(2-chloroethyl) (2-chloroethyl)phosphonate,ClCCOP(=O)(CCCl)OCCCl,ClCCOP(=O)(CCCl)OCCCl,"InChI=1/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2",C6H12Cl3O3P,,,,,,XXIDKSWYSYEFAG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.963,228-558-2,6294-39-9,1-bromo-2-methylcyclohexane,1-bromo-2-methylcyclohexane,CC1CCCCC1Br,CC1CCCCC1Br,"InChI=1/C7H13Br/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3",C7H13Br,,,,,,KWQRRNDZNAXRGO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.964,228-559-8,6294-40-2,1-bromo-4-methylcyclohexane,1-bromo-4-methylcyclohexane,CC1CCC(Br)CC1,CC1CCC(Br)CC1,"InChI=1/C7H13Br/c1-6-2-4-7(8)5-3-6/h6-7H,2-5H2,1H3",C7H13Br,,,,,,RLOHLPHAOHGRNM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.966,228-561-9,3/06/6295,Butyl oxoacetate,butyl glyoxylate,CCCCOC(=O)C=O,CCCCOC(=O)C=O,"InChI=1/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3",C6H10O3,,,,,,NRYDRJHYTRBBEA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.426,233-482-8,10193-99-4,"2,2-bis[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate)","3-(2-sulfanylacetoxy)-2,2-bis[(2-sulfanylacetoxy)methyl]propyl sulfanylacetate (non-preferred name)",SCC(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,SCC(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,"InChI=1/C13H20O8S4/c14-9(1-22)18-5-13(6-19-10(15)2-23,7-20-11(16)3-24)8-21-12(17)4-25/h22-25H,1-8H2",C13H20O8S4,,,,,,RUDUCNPHDIMQCY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.313,230-044-8,6923-65-5,Sodium 2-[ethyl(3-methylphenyl)amino]ethanesulphonate,sodium 2-[ethyl(3-methylphenyl)amino]ethanesulfonate,[Na+].CCN(CCS(=O)(=O)[O-])c1cccc(C)c1,[Na+].CCN(CCS(=O)(=O)[O-])c1cccc(C)c1,"InChI=1/C11H17NO3S.Na/c1-3-12(7-8-16(13,14)15)11-6-4-5-10(2)9-11;/h4-6,9H,3,7-8H2,1-2H3,(H,13,14,15);/q;+1/p-1",C11H17NO3S.Na,,,,,,UGVDMCBCPTXLJB-UHFFFAOYSA-M,,,,,,,,,,,
100.027.320,230-052-1,6928-68-3,Diacetoxydiphenylplumbane,diacetoxy(diphenyl)plumbane,CC(=O)O[Pb](OC(=O)C)(c1ccccc1)c2ccccc2,CC(=O)O[Pb](OC(=O)C)(c1ccccc1)c2ccccc2,"InChI=1/2C6H5.2C2H4O2.Pb/c2*1-2-4-6-5-3-1;2*1-2(3)4;/h2*1-5H;2*1H3,(H,3,4);/q;;;;+2/p-2/rC16H16O4Pb/c1-13(17)19-21(20-14(2)18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3",C16H16O4Pb,,,,,,SBXMABAVUXVYFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.027.327,230-060-5,6935-27-9,N-benzylpyridin-2-amine,N-benzylpyridin-2-amine,C(Nc1ccccn1)c2ccccc2,C(Nc1ccccn1)c2ccccc2,"InChI=1/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)",C12H12N2,,,,,,WYHXNQXDQQMTQI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.328,230-061-0,6936-40-9,"1,2,4,5-tetrachloro-3-methoxybenzene","1,2,4,5-tetrachloro-3-methoxybenzene",COc1c(Cl)c(Cl)cc(Cl)c1Cl,COc1c(Cl)c(Cl)cc(Cl)c1Cl,"InChI=1/C7H4Cl4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3",C7H4Cl4O,,,,,,WMMFIDNWZNCBCT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.336,230-069-4,6938-66-5,1-bromodocosane,1-bromodocosane,CCCCCCCCCCCCCCCCCCCCCCBr,CCCCCCCCCCCCCCCCCCCCCCBr,"InChI=1/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3",C22H45Br,,,,,,QYOXLKAKUAASNA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.352,230-087-2,6940-58-5,"Pentane-1,3,5-tricarboxylic acid","pentane-1,3,5-tricarboxylic acid",OC(=O)CCC(CCC(=O)O)C(=O)O,OC(=O)CCC(CCC(=O)O)C(=O)O,"InChI=1/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)",C8H12O6,,,,,,ROTJZTYLACIJIG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.353,230-088-8,6940-76-7,1-chloro-3-iodopropane,1-chloro-3-iodopropane,ClCCCI,ClCCCI,InChI=1/C3H6ClI/c4-2-1-3-5/h1-3H2,C3H6ClI,,,,,,SFOYQZYQTQDRIY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.755,228-330-2,6228-47-3,Triphenylpropylphosphonium bromide,triphenyl(propyl)phosphonium bromide,[Br-].CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1",C21H22P.Br,,,,,,XMQSELBBYSAURN-UHFFFAOYSA-M,,,,,,,,,,,
100.025.756,228-331-8,6228-53-1,Zinc succinate,zinc succinate,[Zn+2].[O-]C(=O)CCC(=O)[O-],[Zn+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Zn/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Zn,,,,,,AGFGXVAAIXIOFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.025.757,228-332-3,6228-73-5,Cyclopropanecarboxamide,cyclopropanecarboxamide,NC(=O)C1CC1,NC(=O)C1CC1,"InChI=1/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)",C4H7NO,,,,,,AIMMVWOEOZMVMS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.764,228-340-7,6232-56-0,"2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]methylamino]ethanol","2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(methyl)amino]ethanol",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(C)CCO)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(C)CCO)[N+]([O-])=O,"InChI=1/C15H14Cl2N4O3/c1-20(6-7-22)11-4-2-10(3-5-11)18-19-15-13(16)8-12(21(23)24)9-14(15)17/h2-5,8-9,22H,6-7H2,1H3",C15H14Cl2N4O3,,,,,,MPIGKGDPQRWZLU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.773,228-350-1,5/09/6236,(S)-2-hydroxy-2-methylsuccinic acid,2-hydroxy-2-methylsuccinic acid,C[C@](O)(CC(=O)O)C(=O)O,C[C@](O)(CC(=O)O)C(=O)O,"InChI=1/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)",C5H8O5,,,,,,XFTRTWQBIOMVPK-YFKPBYRVSA-N,,,,,,,,,,,
100.025.775,228-352-2,6238-13-7,Quinuclidin-3-ol hydrochloride,quinuclidin-3-ol hydrochloride,Cl.OC1CN2CCC1CC2,Cl.OC1CN2CCC1CC2,"InChI=1/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H",C7H13NO.ClH,,,,,,OYEJRVVBERZWPD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.776,228-353-8,5/11/6240,"2-(tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol",2-adamantan-1-ylethanol,OCCC12CC3CC(CC(C3)C1)C2,OCCC12CC3CC(CC(C3)C1)C2,"InChI=1/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2",C12H20O,,,,,,ZBIDZPHRNBZTLT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.779,228-356-4,1/04/6245,"3,5-dimethylsalicylic acid","2-hydroxy-3,5-dimethylbenzoic acid",Cc1cc(C)c(O)c(c1)C(=O)O,Cc1cc(C)c(O)c(c1)C(=O)O,"InChI=1/C9H10O3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3,(H,11,12)",C9H10O3,,,,,,MCFGYHKPYCQXJH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.788,228-366-9,6247-39-8,"Anthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione","anthra[2,1,9-mna]benzo[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione",O=C1c2ccccc2c3ccc4c5c(ccc1c35)c6ccc7C(=O)c8ccccc8c9nn4c6c79,O=C1c2ccccc2c3ccc4c5c(ccc1c35)c6ccc7C(=O)c8ccccc8c9nn4c6c79,InChI=1/C31H14N2O2/c34-30-20-7-3-1-5-15(20)16-13-14-24-26-17(9-11-22(30)25(16)26)19-10-12-23-27-28(32-33(24)29(19)27)18-6-2-4-8-21(18)31(23)35/h1-14H,C31H14N2O2,,,,,,KQXAEVNNCQHYTP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.433,207-075-0,431-52-7,"1,1,2-trichloro-3,3,3-trifluoropropene","1,1,2-trichloro-3,3,3-trifluoroprop-1-ene",FC(F)(F)C(=C(Cl)Cl)Cl,FC(F)(F)C(=C(Cl)Cl)Cl,"InChI=1/C3Cl3F3/c4-1(2(5)6)3(7,8)9",C3Cl3F3,,,,,,QSSVZVNYQIGOJR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.437,207-079-2,431-89-0,"1,1,1,2,3,3,3-heptafluoropropane","1,1,1,2,3,3,3-heptafluoropropane",FC(C(F)(F)F)C(F)(F)F,FC(C(F)(F)F)C(F)(F)F,"InChI=1/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H",C3HF7,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1989,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.437,YFMFNYKEUDLDTL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.440,207-082-9,432-60-0,Allylestrenol,17-allylestr-4-en-17-ol,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C,"InChI=1/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3",C21H32O,,,,,,ATXHVCQZZJYMCF-XUDSTZEESA-N,,,,,,,,,,,
100.006.464,207-108-9,435-97-2,Phenprocoumon,4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one,CCC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,CCC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,"InChI=1/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3",C18H16O3,,,,,,DQDAYGNAKTZFIW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.851,210-835-4,624-19-1,4-bromoanilinium chloride,4-bromoanilinium chloride,[Cl-].[NH3+]c1ccc(Br)cc1,[Cl-].[NH3+]c1ccc(Br)cc1,"InChI=1/C6H6BrN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H",C6H6BrN.ClH,,,,,,XOZVXONHRZDFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.009.861,210-846-4,624-45-3,Methyl 4-oxovalerate,methyl 4-oxopentanoate,COC(=O)CCC(=O)C,COC(=O)CCC(=O)C,"InChI=1/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3",C6H10O3,,,,,,UAGJVSRUFNSIHR-UHFFFAOYSA-N,,,,,,,,,,,
100.009.865,210-851-1,624-52-2,"3-butoxypropane-1,2-diol","3-butoxypropane-1,2-diol",CCCCOCC(O)CO,CCCCOCC(O)CO,"InChI=1/C7H16O3/c1-2-3-4-10-6-7(9)5-8/h7-9H,2-6H2,1H3",C7H16O3,,,,,,JCYHHICXJAGYEL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.872,210-859-5,624-73-7,"1,2-diiodoethane","1,2-diiodoethane",ICCI,ICCI,InChI=1/C2H4I2/c3-1-2-4/h1-2H2,C2H4I2,,,,,,GBBZLMLLFVFKJM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.874,210-861-6,624-76-0,2-iodoethanol,2-iodoethanol,OCCI,OCCI,"InChI=1/C2H5IO/c3-1-2-4/h4H,1-2H2",C2H5IO,,,,,,QSECPQCFCWVBKM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.881,210-868-4,624-89-5,Ethyl methyl sulphide,(methylsulfanyl)ethane,CCSC,CCSC,"InChI=1/C3H8S/c1-3-4-2/h3H2,1-2H3",C3H8S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10176,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.881,WXEHBUMAEPOYKP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.883,210-871-0,624-92-0,Dimethyl disulphide,dimethyl disulfide,CSSC,CSSC,InChI=1/C2H6S2/c1-3-4-2/h1-2H3,C2H6S2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13671,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.883,WQOXQRCZOLPYPM-UHFFFAOYSA-N,,,,,,,,,,,
100.009.886,210-874-7,625-01-4,Ethyl chlorosulphonate,ethyl chlorosulfate,CCOS(=O)(=O)Cl,CCOS(=O)(=O)Cl,"InChI=1/C2H5ClO3S/c1-2-6-7(3,4)5/h2H2,1H3",C2H5ClO3S,,,,,,ASKHTHDBINVNFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.891,210-879-4,625-19-4,2-acetoxypropyltrimethylammonium iodide,"2-acetoxy-N,N,N-trimethylpropan-1-aminium iodide",[I-].CC(C[N+](C)(C)C)OC(=O)C,[I-].CC(C[N+](C)(C)C)OC(=O)C,"InChI=1/C8H18NO2.HI/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1",C8H18NO2.I,,,,,,LCQWLOBDIMPRBS-UHFFFAOYSA-M,,,,,,,,,,,
100.009.896,210-885-7,625-29-6,2-chloropentane,2-chloropentane,CCCC(C)Cl,CCCC(C)Cl,"InChI=1/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3",C5H11Cl,,,,,,NFRKUDYZEVQXTE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.266,207-992-6,504-40-5,"2-hydroxypropane-1,3-diyl distearate","2-hydroxypropane-1,3-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3",C39H76O5,,,,,,IZHVBANLECCAGF-UHFFFAOYSA-N,,,,,,,,,,,
100.007.267,207-993-1,504-53-0,Pentatriacontan-18-one,pentatriacontan-18-one,CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",C35H70O,,,,,,DMCJFWXGXUEHFD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.269,207-995-2,504-60-9,"Penta-1,3-diene","penta-1,3-diene",C=CC=CC,C=CC=CC,"InChI=1/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3",C5H8,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1772,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.269,PMJHHCWVYXUKFD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.271,207-997-3,504-63-2,"Propane-1,3-diol","propane-1,3-diol",OCCCO,OCCCO,"InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",C3H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2099,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.271,YPFDHNVEDLHUCE-UHFFFAOYSA-N,,,,,,,,,,,
100.007.272,207-998-9,504-66-5,Dicyanamide,cyanocyanamide,N#CNC#N,N#CNC#N,InChI=1/C2HN3/c3-1-5-2-4/h5H,C2HN3,,,,,,QWJNFFYFEKXZBF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.814,228-395-7,6258-66-8,p-chlorotoluene-a-thiol,(4-chlorophenyl)methanethiol,SCc1ccc(Cl)cc1,SCc1ccc(Cl)cc1,"InChI=1/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",C7H7ClS,,,,,,GKQXPTHQTXCXEV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.815,228-396-2,6258-73-7,"1,1'-(1,3,3-trimethylprop-1-ene-1,3-diyl)dibenzene","1,1'-(4-methylpent-2-ene-2,4-diyl)dibenzene",CC(C)(C=C(C)c1ccccc1)c2ccccc2,CC(C)(C=C(C)c1ccccc1)c2ccccc2,"InChI=1/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-14H,1-3H3",C18H20,,,,,,VOOVDZMAQQVAEW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.823,228-404-4,6259-50-3,6-dimethylamino-4-hydroxynaphthalene-2-sulphonic acid,6-(dimethylamino)-4-hydroxynaphthalene-2-sulfonic acid,CN(C)c1ccc2cc(cc(O)c2c1)S(=O)(=O)O,CN(C)c1ccc2cc(cc(O)c2c1)S(=O)(=O)O,"InChI=1/C12H13NO4S/c1-13(2)9-4-3-8-5-10(18(15,16)17)7-12(14)11(8)6-9/h3-7,14H,1-2H3,(H,15,16,17)",C12H13NO4S,,,,,,LRPIENHBUQIGPP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.825,228-407-0,6259-66-1,"7-hydroxynaphthalene-1,3,6-trisulphonic acid","7-hydroxynaphthalene-1,3,6-trisulfonic acid",Oc1cc2c(cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Oc1cc2c(cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O10S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20)",C10H8O10S3,,,,,,ANYNWDCUWOSEFH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.831,228-413-3,6262-21-1,"4,5,6,7-tetrachloro-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1,Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1,"InChI=1/C20H8Cl4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H",C20H8Cl4O5,,,,,,QCPFFGGFHNZBEP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.832,228-414-9,6262-23-3,"4-methyl-N,N'-m-phenylenediformamide","N,N'-(4-methyl-1,3-phenylene)diformamide",Cc1ccc(NC=O)cc1NC=O,Cc1ccc(NC=O)cc1NC=O,"InChI=1/C9H10N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-6H,1H3,(H,10,12)(H,11,13)",C9H10N2O2,,,,,,YRNQKAIOPGZNHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.836,228-419-6,2/03/6263,Diethyl N-benzylimidocarbonate,diethyl benzylimidocarbonate,CCOC(=NCc1ccccc1)OCC,CCOC(=NCc1ccccc1)OCC,"InChI=1/C12H17NO2/c1-3-14-12(15-4-2)13-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",C12H17NO2,,,,,,QSRFFNPQGDHQLT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.839,228-422-2,6263-62-3,a-(ethylthio)toluene,[(ethylsulfanyl)methyl]benzene,CCSCc1ccccc1,CCSCc1ccccc1,"InChI=1/C9H12S/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C9H12S,,,,,,NTAIOEZEVLVLLW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.842,228-425-9,6264-66-0,"4-(4-aminophenoxy)-1,2-benzenediamine","4-(4-aminophenoxy)benzene-1,2-diamine",Nc1ccc(Oc2ccc(N)c(N)c2)cc1,Nc1ccc(Oc2ccc(N)c(N)c2)cc1,"InChI=1/C12H13N3O/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7H,13-15H2",C12H13N3O,,,,,,MPKIJEUTPZPJFP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.844,228-428-5,6264-98-8,m-(o-toluidino)phenol,3-[(2-methylphenyl)amino]phenol,Cc1ccccc1Nc2cccc(O)c2,Cc1ccccc1Nc2cccc(O)c2,"InChI=1/C13H13NO/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3",C13H13NO,,,,,,SUHWXARLXCIBFK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.845,228-429-0,6/01/6265,4-aminostilbene-2-sulphonic acid,5-amino-2-(2-phenylvinyl)benzenesulfonic acid,Nc1ccc(\\C=C\\c2ccccc2)c(c1)S(=O)(=O)O,Nc1ccc(\C=C\c2ccccc2)c(c1)S(=O)(=O)O,"InChI=1/C14H13NO3S/c15-13-9-8-12(14(10-13)19(16,17)18)7-6-11-4-2-1-3-5-11/h1-10H,15H2,(H,16,17,18)",C14H13NO3S,,,,,,QBHYFEWQILVXEN-VOTSOKGWSA-N,,,,,,,,,,,
100.025.847,228-431-1,6265-16-3,5-formyl-3-methylsalicylic acid,5-formyl-2-hydroxy-3-methylbenzoic acid,Cc1cc(C=O)cc(C(=O)O)c1O,Cc1cc(C=O)cc(C(=O)O)c1O,"InChI=1/C9H8O4/c1-5-2-6(4-10)3-7(8(5)11)9(12)13/h2-4,11H,1H3,(H,12,13)",C9H8O4,,,,,,AAOLKUONXGOAGA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.196,228-815-9,6359-95-1,"Disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate","disodium 2-{[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=NC2C(\\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O,[Na+].[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O,"InChI=1/C20H15ClN4O7S2.2Na/c1-11-18(20(26)25(24-11)17-10-13(33(27,28)29)7-8-15(17)21)23-22-16-9-6-12-4-2-3-5-14(12)19(16)34(30,31)32;;/h2-10,18H,1H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C20H15ClN4O7S2.2Na,,,,,,MIHOYZILGVCGCK-UHFFFAOYSA-L,,,,,,,,,,,
100.026.199,228-819-0,6359-98-4,"Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate","disodium 2-{[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxido-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3/N=N/c2c(C)nn(c1cc(Cl)c(cc1Cl)S(O)(=O)=O)c2[O-],[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3/N=N/c2c(C)nn(c1cc(Cl)c(cc1Cl)S(O)(=O)=O)c2[O-],"InChI=1/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-11-4-2-3-5-13(11)30(24,25)26)16(23)22(21-8)12-6-10(18)14(7-9(12)17)31(27,28)29;;/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H12Cl2N4O7S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17653,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.199,UQUQWYGIJWHRIJ-LLIZZRELSA-L,,,,,,,,,,,
100.030.429,233-485-4,10196-13-1,4-[[4-[[4-(2-hydroxyethoxy)phenyl]azo]-2-methoxy-5-methylphenyl]azo]phenol,4-[(4-{[4-(2-hydroxyethoxy)phenyl]diazenyl}-2-methoxy-5-methylphenyl)diazenyl]phenol,COc3cc(N=Nc1ccc(OCCO)cc1)c(C)cc3N=Nc2ccc(O)cc2,COc3cc(N=Nc1ccc(OCCO)cc1)c(C)cc3N=Nc2ccc(O)cc2,"InChI=1/C22H22N4O4/c1-15-13-21(26-24-16-3-7-18(28)8-4-16)22(29-2)14-20(15)25-23-17-5-9-19(10-6-17)30-12-11-27/h3-10,13-14,27-28H,11-12H2,1-2H3",C22H22N4O4,,,,,,CSYOIBKALOSKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.431,233-488-0,10196-66-4,Barium myristate,barium ditetradecanoate,[Ba+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C14H28O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2",C14H28O2.1/2Ba,,,,,,JLDBJDNKYFLMHI-UHFFFAOYSA-L,,,,,,,,,,,
100.030.433,233-490-1,10196-68-6,"Barium 4-(1,1-dimethylethyl)benzoate",barium bis(4-tert-butylbenzoate),[Ba+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],[Ba+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],"InChI=1/2C11H14O2.Ba/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",C11H14O2.1/2Ba,,,,,,TVGPWOZHNCQATG-UHFFFAOYSA-L,,,,,,,,,,,
100.030.437,233-494-3,10198-23-9,1-methyl-4-(1-methylvinyl)cyclohexyl acetate,4-isopropenyl-1-methylcyclohexyl acetate,CC(=O)OC1(C)CCC(CC1)C(=C)C,CC(=O)OC1(C)CCC(CC1)C(=C)C,"InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3",C12H20O2,,,,,,URVNHQCLMBMWIW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.439,233-496-4,10199-89-0,"4-chloro-7-nitrobenzo-2-oxa-1,3-diazole","4-chloro-7-nitro-2,1,3-benzoxadiazole",Clc1ccc(c2nonc12)N(=O)=O,Clc1ccc(c2nonc12)N(=O)=O,InChI=1/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H,C6H2ClN3O3,,,,,,IGHBXJSNZCFXNK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.445,233-504-6,10203-58-4,Diethyl isobutylmalonate,diethyl isobutylmalonate,CCOC(=O)C(CC(C)C)C(=O)OCC,CCOC(=O)C(CC(C)C)C(=O)OCC,"InChI=1/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3",C11H20O4,,,,,,OFRFGNSZCYDFOH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.448,233-507-2,10205-63-7,"N,N-diethyl-4-(6-methylbenzothiazol-2-yl)aniline","N,N-diethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline",CCN(CC)c1ccc(cc1)c2nc3ccc(C)cc3s2,CCN(CC)c1ccc(cc1)c2nc3ccc(C)cc3s2,"InChI=1/C18H20N2S/c1-4-20(5-2)15-9-7-14(8-10-15)18-19-16-11-6-13(3)12-17(16)21-18/h6-12H,4-5H2,1-3H3",C18H20N2S,,,,,,YEMJQXMSJPHNFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.458,233-518-2,10213-74-8,3-(2-ethylbutoxy)propionic acid,3-(2-ethylbutoxy)propanoic acid,CCC(CC)COCCC(=O)O,CCC(CC)COCCC(=O)O,"InChI=1/C9H18O3/c1-3-8(4-2)7-12-6-5-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",C9H18O3,,,,,,ZLPVZWUOBAHGNY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.468,233-529-2,10218-57-2,1-[cyclohexylidene(4-methoxyphenyl)methyl]-4-methoxybenzene,"1,1'-(cyclohexylidenemethylene)bis(4-methoxybenzene)",COc1ccc(cc1)C(=C2CCCCC2)c3ccc(OC)cc3,COc1ccc(cc1)C(=C2CCCCC2)c3ccc(OC)cc3,"InChI=1/C21H24O2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h8-15H,3-7H2,1-2H3",C21H24O2,,,,,,DSKROVAOMFMFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.312,228-943-5,6376-14-3,4-chloro-5-methyl-o-anisidine,4-chloro-2-methoxy-5-methylaniline,COc1cc(Cl)c(C)cc1N,COc1cc(Cl)c(C)cc1N,"InChI=1/C8H10ClNO/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,10H2,1-2H3",C8H10ClNO,,,,,,XBAPOWUMJRIKAV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.315,228-946-1,4/12/6377,Carbazol-3-ylamine,9H-carbazol-3-amine,Nc1ccc2[nH]c3ccccc3c2c1,Nc1ccc2[nH]c3ccccc3c2c1,"InChI=1/C12H10N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,13H2",C12H10N2,,,,,,LRSYZHFYNDZXMU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.317,228-948-2,6/11/6378,Ethyl chlorosulphite,ethyl chlorosulfite,CCOS(=O)Cl,CCOS(=O)Cl,"InChI=1/C2H5ClO2S/c1-2-5-6(3)4/h2H2,1H3",C2H5ClO2S,,,,,,DNTYXOAEBUZAJC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.326,228-958-7,6379-72-2,4-trans-propenylveratrole,"4-allyl-1,2-dimethoxybenzene",COc1ccc(CC=C)cc1OC,COc1ccc(CC=C)cc1OC,"InChI=1/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C11H14O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18980,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.326,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.328,228-960-8,8/05/6380,N-(2-chlorophenyl)-p-toluenesulphonamide,N-(2-chlorophenyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2Cl,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2Cl,"InChI=1/C13H12ClNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3",C13H12ClNO2S,,,,,,GOEWZPICEGNTPR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.335,228-968-1,6380-70-7,Pentyl mercaptoacetate,pentyl sulfanylacetate,CCCCCOC(=O)CS,CCCCCOC(=O)CS,"InChI=1/C7H14O2S/c1-2-3-4-5-9-7(8)6-10/h10H,2-6H2,1H3",C7H14O2S,,,,,,ZXIWFYQVPPOSNC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.338,228-971-8,6381-61-9,"1,2-benzisothiazol-3(2H)-one 1,1-dioxide, ammonium salt",-,[NH4+].O=C1NS(=O)(=O)c2ccccc12,[NH4+].O=C1NS(=O)(=O)c2ccccc12,"InChI=1/C7H5NO3S.H3N/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);1H3/p+1",C7H5NO3S.H3N,,,,,,XTPLQANXHDDXIH-UHFFFAOYSA-O,,,,,,,,,,,
100.026.345,228-979-1,6382-14-5,Benzyl pentyl ether,[(pentyloxy)methyl]benzene,CCCCCOCc1ccccc1,CCCCCOCc1ccccc1,"InChI=1/C12H18O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3",C12H18O,,,,,,RSDLTJVQMXAXCA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.789,228-367-4,6247-46-7,"N,N'-(10,15,16,17-tetrahydro-1-methoxy-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis(benzamide)","N,N'-(1-methoxy-5,10,15,17-tetraoxo-10,15,16,17-tetrahydro-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)dibenzamide",COc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccc5c6cc(NC(=O)c7ccccc7)c8C(=O)c9ccccc9C(=O)c8c6[nH]c5c4C(=O)c13,COc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccc5c6cc(NC(=O)c7ccccc7)c8C(=O)c9ccccc9C(=O)c8c6[nH]c5c4C(=O)c13,"InChI=1/C43H25N3O7/c1-53-30-19-18-28(44-42(51)21-10-4-2-5-11-21)32-34(30)41(50)31-26(40(32)49)17-16-23-27-20-29(45-43(52)22-12-6-3-7-13-22)33-35(37(27)46-36(23)31)39(48)25-15-9-8-14-24(25)38(33)47/h2-20,46H,1H3,(H,44,51)(H,45,52)",C43H25N3O7,,,,,,RPQNSJZVMKWIRT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.792,228-371-6,6250-73-3,"4,8-dimethylnona-3,7-dienenitrile","4,8-dimethylnona-3,7-dienenitrile",C/C(C)=C\\CCC(C)=CCC#N,C/C(C)=C\CCC(C)=CCC#N,"InChI=1/C11H17N/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7H2,1-3H3",C11H17N,,,,,,FRTXHDQZMMZCOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.793,228-372-1,6/07/6251,"4-aminonaphthalene-2,7-disulphonic acid","4-aminonaphthalene-2,7-disulfonic acid",Nc1cc(cc2cc(ccc12)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(cc2cc(ccc12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,NDYYJXGERWTRSD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.741,230-514-2,7164-43-4,"5-amino-2,6-dioxo-1,2,3,4-tetrahydropyrimidine-4-carboxylic acid","5-amino-2,6-dihydroxypyrimidine-4-carboxylic acid",O=C(O)c1nc(O)nc(O)c1N,O=C(O)c1nc(O)nc(O)c1N,"InChI=1/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)",C5H5N3O4,,,,,,HWCXJKLFOSBVLH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.746,230-520-5,7170-44-7,11-phenoxyundecanoic acid,11-phenoxyundecanoic acid,OC(=O)CCCCCCCCCCOc1ccccc1,OC(=O)CCCCCCCCCCOc1ccccc1,"InChI=1/C17H26O3/c18-17(19)14-10-5-3-1-2-4-6-11-15-20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,18,19)",C17H26O3,,,,,,FRSQLPPSRJNREN-UHFFFAOYSA-N,,,,,,,,,,,
100.029.501,232-456-3,8043-44-5,Sodium hydrogen (R)-12-(sulphooxy)oleate,sodium 12-(sulfooxy)octadec-9-enoate,[Na+].CCCCCC[C@H](C\\C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)O,[Na+].CCCCCC[C@H](C\C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)O,"InChI=1/C18H34O6S.Na/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20;/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1",C18H34O6S.xNa,,,,,,LXVQWMLOHFDJAM-DPMBMXLASA-M,,,,,,,,,,,
100.026.160,228-776-8,6358-49-2,"2,4-dihydro-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]-3H-pyrazol-3-one","5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one",O=C2N\\N=C(\\C)C2N=Nc1ccc(C)cc1[N+]([O-])=O,O=C2N\N=C(\C)C2N=Nc1ccc(C)cc1[N+]([O-])=O,"InChI=1/C11H11N5O3/c1-6-3-4-8(9(5-6)16(18)19)13-14-10-7(2)12-15-11(10)17/h3-5,10H,1-2H3,(H,15,17)",C11H11N5O3,,,,,,MGUKQGKECAROGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.163,228-779-4,6358-57-2,"Disodium 3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 3-({2,2'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5C)c6ccc(C)cc6,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5C)c6ccc(C)cc6,"InChI=1/C37H30N4O10S3.2Na/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C37H30N4O10S3.2Na,,,,,,YFSRRLXAGNGNNQ-UHFFFAOYSA-L,,,,,,,,,,,
100.026.164,228-781-5,6358-63-0,N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide,N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide,CC(=O)Nc1cc(cc(N)c1O)[N+](=O)[O-],CC(=O)Nc1cc(cc(N)c1O)[N+](=O)[O-],"InChI=1/C8H9N3O4/c1-4(12)10-7-3-5(11(14)15)2-6(9)8(7)13/h2-3,13H,9H2,1H3,(H,10,12)",C8H9N3O4,,,,,,JBYMSNCIQHSWOD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.167,228-784-1,6358-80-1,"Trisodium 4-amino-5-hydroxy-3-[[4'-[[4-hydroxy-2-[(o-tolyl)amino]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-{[4'-({4-hydroxy-2-[(2-methylphenyl)amino]phenyl}diazenyl)biphenyl-4-yl]diazenyl}-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc7ccc(N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S([O-])(=O)=O)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c(Nc6ccccc6C)c7,[Na+].[Na+].[Na+].Oc7ccc(N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S([O-])(=O)=O)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c(Nc6ccccc6C)c7,"InChI=1/C41H32N8O11S3.3Na/c1-23-4-2-3-5-32(23)43-34-22-30(50)16-19-33(34)47-44-27-10-6-24(7-11-27)25-8-12-28(13-9-25)45-48-39-35(62(55,56)57)20-26-21-36(63(58,59)60)40(41(51)37(26)38(39)42)49-46-29-14-17-31(18-15-29)61(52,53)54;;;/h2-22,43,50-51H,42H2,1H3,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3",C41H32N8O11S3.3Na,,,,,,GJRUEHLEWXORDW-UHFFFAOYSA-K,,,,,,,,,,,
100.026.181,228-799-3,6359-45-1,"2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-{2-[4-(diethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CCN(CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,[Cl-].CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C23H29N2.ClH/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;/h8-17H,6-7H2,1-5H3;1H/q+1;/p-1",C23H29N2.Cl,,,,,,PKALEBFTSZCHGU-UHFFFAOYSA-M,,,,,,,,,,,
100.007.278,208-005-1,505-22-6,"1,3-dioxane","1,3-dioxane",C1COCOC1,C1COCOC1,InChI=1/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,C4H8O2,,,,,,VDFVNEFVBPFDSB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.279,208-006-7,505-23-7,"1,3-dithiane","1,3-dithiane",C1CSCSC1,C1CSCSC1,InChI=1/C4H8S2/c1-2-5-4-6-3-1/h1-4H2,C4H8S2,,,,,,WQADWIOXOXRPLN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.280,208-007-2,505-29-3,"1,4-dithiane","1,4-dithiane",C1CSCCS1,C1CSCCS1,InChI=1/C4H8S2/c1-2-6-4-3-5-1/h1-4H2,C4H8S2,,,,,,LOZWAPSEEHRYPG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.291,208-019-8,505-73-7,"2,2'-dithiodi(acetic) acid","2,2'-disulfanediyldiacetic acid",OC(=O)CSSCC(=O)O,OC(=O)CSSCC(=O)O,"InChI=1/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",C4H6O4S2,,,,,,DLLMHEDYJQACRM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.303,208-032-9,506-31-0,Icos-9-enoic acid,icos-9-enoic acid,OC(=O)CCCCCCCC=CCCCCCCCCCC,OC(=O)CCCCCCCC=CCCCCCCCCCC,"InChI=1/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)",C20H38O2,,,,,,LQJBNNIYVWPHFW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.304,208-033-4,506-32-1,"Icosa-5,8,11,14-tetraenoic acid","icosa-5,8,11,14-tetraenoic acid",OC(=O)CCCC=CCC=CCC=CCC=CCCCCC,OC(=O)CCCC=CCC=CCC=CCC=CCCCCC,"InChI=1/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)",C20H32O2,,,,,,YZXBAPSDXZZRGB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.305,208-035-5,506-33-2,(E)-docos-13-enoic acid,docos-13-enoic acid,CCCCCCCC\\C=C\\CCCCCCCCCCCC(=O)O,CCCCCCCC\C=C\CCCCCCCCCCCC(=O)O,"InChI=1/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)",C22H42O2,,,,,,DPUOLQHDNGRHBS-MDZDMXLPSA-N,,,,,,,,,,,
100.007.312,208-042-3,506-50-3,Triacontanoic acid,triacontanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)",C30H60O2,,,,,,VHOCUJPBKOZGJD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.110,210-020-3,602-56-2,9-phenylacridine,9-phenylacridine,c1ccc(cc1)c2c3ccccc3nc4ccccc24,c1ccc(cc1)c2c3ccccc3nc4ccccc24,InChI=1/C19H13N/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H,C19H13N,,,,,,MTRFEWTWIPAXLG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.126,208-937-9,547-81-9,Epiestriol,"estra-1(10),2,4-triene-3,16,17-triol",Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@@H](O)C[C@@H]12)c4cc3,Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@@H](O)C[C@@H]12)c4cc3,"InChI=1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3",C18H24O3,,,,,,PROQIPRRNZUXQM-ZMSHIADSSA-N,,,,,,,,,,,
100.008.133,208-945-2,548-39-0,Phenalen-1-one,1H-phenalen-1-one,O=C1C=Cc2cccc3cccc1c23,O=C1C=Cc2cccc3cccc1c23,InChI=1/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H,C13H8O,,,,,,WWBGWPHHLRSTFI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.134,208-946-8,548-40-3,Oxyacanthine,"6,6',7-trimethoxy-2,2'-dimethyloxyacanthan-12'-ol",COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4,COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4,"InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3",C37H40N2O6,,,,,,HGNHIFJNOKGSKI-WDYNHAJCSA-N,,,,,,,,,,,
100.008.135,208-947-3,548-42-5,"8,9-didehydro-6,8-dimethylergoline","6,8-dimethyl-8,9-didehydroergoline",CN1CC(=C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C,CN1CC(=C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C,"InChI=1/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3",C16H18N2,,,,,,XJOOMMHNYOJWCZ-UKRRQHHQSA-N,,,,,,,,,,,
100.008.148,208-962-5,548-93-6,3-hydroxyanthranilic acid,2-amino-3-hydroxybenzoic acid,Nc1c(O)cccc1C(=O)O,Nc1c(O)cccc1C(=O)O,"InChI=1/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",C7H7NO3,,,,,,WJXSWCUQABXPFS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.149,208-963-0,549-14-4,Magnesium phthalate,magnesium phthalate,[Mg+2].[O-]C(=O)c1ccccc1C(=O)[O-],[Mg+2].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.Mg/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2",C8H6O4.Mg,,,,,,APLYTANMTDCWTA-UHFFFAOYSA-L,,,,,,,,,,,
100.008.151,208-965-1,549-40-6,Furostilbestrol,"hex-3-ene-3,4-diyldi-4,1-phenylene di(2-furoate)",O=C(Oc1ccc(cc1)C(CC)=C(CC)c3ccc(OC(=O)c2ccco2)cc3)c4ccco4,O=C(Oc1ccc(cc1)C(CC)=C(CC)c3ccc(OC(=O)c2ccco2)cc3)c4ccco4,"InChI=1/C28H24O6/c1-3-23(19-9-13-21(14-10-19)33-27(29)25-7-5-17-31-25)24(4-2)20-11-15-22(16-12-20)34-28(30)26-8-6-18-32-26/h5-18H,3-4H2,1-2H3",C28H24O6,,,,,,VUDMUAVGKIZQRY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.470,207-115-7,437-74-1,Xantinol nicotinate,"nicotinic acid - 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1)",CN(CCO)CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12.OC(=O)c3cccnc3,CN(CCO)CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12.OC(=O)c3cccnc3,"InChI=1/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)",C13H21N5O4.C6H5NO2,,,,,,GEPMAHVDJHFBJI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.201,228-821-1,9/04/6360,Disodium 6-amino-5-[(4-amino-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-[(4-amino-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c3cc(N)ccc3N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc(N)ccc3N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O,"InChI=1/C16H14N4O7S2.2Na/c17-9-2-4-12(14(6-9)29(25,26)27)19-20-16-11(18)3-1-8-5-10(28(22,23)24)7-13(21)15(8)16;;/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C16H14N4O7S2.2Na,,,,,,XHWOCFKPINOVST-UHFFFAOYSA-L,,,,,,,,,,,
100.026.202,228-822-7,6360-05-0,Disodium 5-[(5-acetamido-2-sulphonatophenyl)azo]-6-amino-4-hydroxynaphthalene-2-sulphonate,disodium 5-[(5-acetamido-2-sulfonatophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].CC(=O)Nc3cc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc3cc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,"InChI=1/C18H16N4O8S2.2Na/c1-9(23)20-11-3-5-16(32(28,29)30)14(7-11)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18;;/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C18H16N4O8S2.2Na,,,,,,PKLWYYWSOGHKLY-UHFFFAOYSA-L,,,,,,,,,,,
100.026.211,228-832-1,6361-23-5,"2,5-dichlorobenzaldehyde","2,5-dichlorobenzaldehyde",Clc1ccc(Cl)c(C=O)c1,Clc1ccc(Cl)c(C=O)c1,InChI=1/C7H4Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,C7H4Cl2O,,,,,,BUXHYMZMVMNDMG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.212,228-833-7,6361-29-1,4-amino-N-ethyl-N-1-naphthylbenzamide,4-amino-N-ethyl-N-1-naphthylbenzamide,CCN(C(=O)c1ccc(N)cc1)c2cccc3ccccc23,CCN(C(=O)c1ccc(N)cc1)c2cccc3ccccc23,"InChI=1/C19H18N2O/c1-2-21(19(22)15-10-12-16(20)13-11-15)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2,20H2,1H3",C19H18N2O,,,,,,PZIJKAARIDUWEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.216,228-837-9,6361-46-2,7-[(4-amino-3-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulphonic acid,7-[(4-amino-3-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid,Cc1cc(ccc1N)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O,Cc1cc(ccc1N)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O,"InChI=1/C18H16N2O5S/c1-10-6-11(2-5-16(10)19)18(22)20-13-3-4-15-12(7-13)8-14(9-17(15)21)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)",C18H16N2O5S,,,,,,HSSHAQANFGBAQC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.218,228-840-5,6/05/6362,"4-aminonaphthalene-2,6-disulphonic acid","4-aminonaphthalene-2,6-disulfonic acid",Nc1cc(cc2ccc(cc12)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(cc2ccc(cc12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO6S2/c11-10-5-8(19(15,16)17)3-6-1-2-7(4-9(6)10)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)",C10H9NO6S2,,,,,,XGQWHHCZIMXNHG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.223,228-845-2,6362-79-4,Sodium hydrogen-5-sulphoisophthalate,"sodium 3,5-dicarboxybenzenesulfonate",[Na+].OC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)O,[Na+].OC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)O,"InChI=1/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1",C8H6O7S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13516,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.223,YXTFRJVQOWZDPP-UHFFFAOYSA-M,,,,,,,,,,,
100.026.228,228-851-5,6364-15-4,[(4-amino-2-sulphophenyl)amino]oxoacetic acid,[(4-amino-2-sulfophenyl)amino](oxo)acetic acid,Nc1ccc(NC(=O)C(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(NC(=O)C(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C8H8N2O6S/c9-4-1-2-5(10-7(11)8(12)13)6(3-4)17(14,15)16/h1-3H,9H2,(H,10,11)(H,12,13)(H,14,15,16)",C8H8N2O6S,,,,,,SBPQKRDZOWFQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.231,228-854-1,6364-35-8,"4-(o-tolylazo)benzene-1,3-diamine monohydrochloride","4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine hydrochloride",Cl.Cc2ccccc2N=Nc1ccc(N)cc1N,Cl.Cc2ccccc2N=Nc1ccc(N)cc1N,"InChI=1/C13H14N4.ClH/c1-9-4-2-3-5-12(9)16-17-13-7-6-10(14)8-11(13)15;/h2-8H,14-15H2,1H3;1H",C13H14N4.ClH,,,,,,KFWVRNPOOBANAY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.235,228-858-3,6365-83-9,"Ammonium 2-sec-butyl-4,6-dinitrophenolate","ammonium 2-sec-butyl-4,6-dinitrophenolate",[NH4+].CCC(C)c1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-],[NH4+].CCC(C)c1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5.H3N/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;/h4-6,13H,3H2,1-2H3;1H3",C10H12N2O5.H3N,,,,,,RVSKHYSPNBOJDL-UHFFFAOYSA-N,,,,,,,,,,,
100.029.038,231-942-2,7779-86-4,Zinc dithionite,"[dithionito(2-)-kappa~2~O,O']zinc",O=S1O[Zn]OS1=O,O=S1O[Zn]OS1=O,"InChI=1/H2O4S2.Zn/c1-5(2)6(3)4;/h(H,1,2)(H,3,4);/q;+2/p-2/rO4S2Zn/c1-5-3-7-4-6(5)2",H2O4S2.Zn,,,,,,PENRVBJTRIYHOA-UHFFFAOYSA-L,,,,,,,,,,,
100.029.049,231-954-8,7782-41-4,Fluorine,fluorine,FF,FF,InChI=1/F2/c1-2,F2,,,,,,PXGOKWXKJXAPGV-UHFFFAOYSA-N,,,,,,,,,,,
100.029.051,231-956-9,7782-44-7,Oxygen,-,O=O,O=O,InChI=1/O2/c1-2,O2,,,,,,MYMOFIZGZYHOMD-UHFFFAOYSA-N,,,,,,,,,,,
100.029.075,231-983-6,7783-19-9,Ammonium selenite,diammonium selenite,[NH4+].[NH4+].[O-][Se](=O)[O-],[NH4+].[NH4+].[O-][Se](=O)[O-],"InChI=1/2H3N.H2O3Se/c;;1-4(2)3/h2*1H3;(H2,1,2,3)",H3N.1/2H2O3Se,,,,,,IBGIKQMUVKJVCW-UHFFFAOYSA-N,,,,,,,,,,,
100.029.077,231-985-7,7783-21-3,Ammonium selenate,diammonium selenate,[NH4+].[NH4+].[O-][Se](=O)(=O)[O-],[NH4+].[NH4+].[O-][Se](=O)(=O)[O-],"InChI=1/2H3N.H2O4Se/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)",H3N.1/2H2O4Se,,,,,,ZBIBSMMVRNDSNI-UHFFFAOYSA-N,,,,,,,,,,,
100.029.091,232-000-3,7783-48-4,Strontium fluoride,strontium difluoride,[F-].[F-].[Sr+2],[F-].[F-].[Sr+2],InChI=1/2FH.Sr/h2*1H;/q;;+2/p-2,F2Sr,,,,,,FVRNDBHWWSPNOM-UHFFFAOYSA-L,,,,,,,,,,,
100.026.350,228-984-9,6385-60-0,"Disodium (endo,endo)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","disodium 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",[Na+].[Na+].[O-]C(=O)[C@@H]1[C@H]2O[C@H](C=C2)[C@@H]1C(=O)[O-],[Na+].[Na+].[O-]C(=O)[C@@H]1[C@H]2O[C@H](C=C2)[C@@H]1C(=O)[O-],"InChI=1/C8H8O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h1-6H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H8O5.2Na,,,,,,ZRHKGBGEZJYZAY-RCEHDPCYSA-L,,,,,,,,,,,
100.026.351,228-985-4,6386-38-5,"Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate","methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate",COC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,COC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3",C18H28O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5593,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.351,PXMJCECEFTYEKE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.352,228-987-5,6386-63-6,[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid,[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid,OCc1cc(Cl)ccc1OCC(=O)O,OCc1cc(Cl)ccc1OCC(=O)O,"InChI=1/C9H9ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)",C9H9ClO4,,,,,,ZJRUTGDCLVIVRD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.971,228-567-1,6/03/6297,Dioctadecyl ether,"1,1'-oxydioctadecane",CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC,"InChI=1/C36H74O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C36H74O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10944,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.971,HBXWUCXDUUJDRB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.972,228-568-7,6297-14-9,4-amino-a-diethylamino-o-cresol dihydrochloride,4-amino-2-[(diethylamino)methyl]phenol dihydrochloride,Cl.Cl.CCN(CC)Cc1cc(N)ccc1O,Cl.Cl.CCN(CC)Cc1cc(N)ccc1O,"InChI=1/C11H18N2O.2ClH/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14;;/h5-7,14H,3-4,8,12H2,1-2H3;2*1H",C11H18N2O.2ClH,,,,,,PLISWDVQSUTGTR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.974,228-570-8,6297-48-9,Pentyl 2-methylvalerate,pentyl 2-methylpentanoate,CCCCCOC(=O)C(C)CCC,CCCCCOC(=O)C(C)CCC,"InChI=1/C11H22O2/c1-4-6-7-9-13-11(12)10(3)8-5-2/h10H,4-9H2,1-3H3",C11H22O2,,,,,,SDCYWLNURCILGU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.976,228-572-9,6298-19-7,2-chloro-3-pyridylamine,2-chloropyridin-3-amine,Nc1cccnc1Cl,Nc1cccnc1Cl,"InChI=1/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2",C5H5ClN2,,,,,,MEQBJJUWDCYIAB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.986,228-583-9,6300-23-8,Sodium 5-amino-8-(phenylazo)naphthalene-2-sulphonate,sodium 5-amino-8-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c2cc3c(N=Nc1ccccc1)ccc(N)c3cc2,[Na+].[O-]S(=O)(=O)c2cc3c(N=Nc1ccccc1)ccc(N)c3cc2,"InChI=1/C16H13N3O3S.Na/c17-15-8-9-16(19-18-11-4-2-1-3-5-11)14-10-12(23(20,21)22)6-7-13(14)15;/h1-10H,17H2,(H,20,21,22);/q;+1/p-1",C16H13N3O3S.Na,,,,,,LFNJXGCSRNTIPM-UHFFFAOYSA-M,,,,,,,,,,,
100.025.991,228-589-1,6300-50-1,Disodium 7-amino-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-amino-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O,"InChI=1/C22H17N5O7S2.2Na/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H17N5O7S2.2Na,,,,,,DNDMQQPFVIIALP-UHFFFAOYSA-L,,,,,,,,,,,
100.025.993,228-591-2,6300-63-6,"2,5-dimethoxy-4-(phenylazo)aniline","2,5-dimethoxy-4-(phenyldiazenyl)aniline",COc2cc(N)c(cc2N=Nc1ccccc1)OC,COc2cc(N)c(cc2N=Nc1ccccc1)OC,"InChI=1/C14H15N3O2/c1-18-13-9-12(14(19-2)8-11(13)15)17-16-10-6-4-3-5-7-10/h3-9H,15H2,1-2H3",C14H15N3O2,,,,,,WAMNCBOYTXKHGN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.995,228-593-3,6/02/6301,"1-aminoimidazolidine-2,4-dione","1-aminoimidazolidine-2,4-dione",NN1CC(=O)NC1=O,NN1CC(=O)NC1=O,"InChI=1/C3H5N3O2/c4-6-1-2(7)5-3(6)8/h1,4H2,(H,5,7,8)",C3H5N3O2,,,,,,KVYKDNGUEZRPGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.998,228-597-5,6301-70-8,Cyclohexyl laurate,cyclohexyl laurate,CCCCCCCCCCCC(=O)OC1CCCCC1,CCCCCCCCCCCC(=O)OC1CCCCC1,"InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-13-16-18(19)20-17-14-11-10-12-15-17/h17H,2-16H2,1H3",C18H34O2,,,,,,PJPLDEHITPGDLR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.999,228-598-0,6302-94-9,"Dihydro-5-methyl-4H-1,3,5-dithiazine","5-methyl-1,3,5-dithiazinane",CN1CSCSC1,CN1CSCSC1,"InChI=1/C4H9NS2/c1-5-2-6-4-7-3-5/h2-4H2,1H3",C4H9NS2,,,,,,QMWSBGCIPZEDPP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.632,230-395-7,7091-57-8,"Benzoic acid, compound with quinolin-8-ol (1:1)",quinolin-8-ol benzoate (salt),OC(=O)c1ccccc1.Oc2cccc3cccnc23,OC(=O)c1ccccc1.Oc2cccc3cccnc23,"InChI=1/C9H7NO.C7H6O2/c11-8-5-1-3-7-4-2-6-10-9(7)8;8-7(9)6-4-2-1-3-5-6/h1-6,11H;1-5H,(H,8,9)",C9H7NO.C7H6O2,,,,,,LYMABFPLCIQGMR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.635,230-398-3,7093-67-6,N-[N-[N-(N-glycylglycyl)glycyl]glycyl]glycine,glycylglycylglycylglycylglycine,NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,"InChI=1/C10H17N5O6/c11-1-6(16)12-2-7(17)13-3-8(18)14-4-9(19)15-5-10(20)21/h1-5,11H2,(H,12,16)(H,13,17)(H,14,18)(H,15,19)(H,20,21)",C10H17N5O6,,,,,,MXHCPCSDRGLRER-UHFFFAOYSA-N,,,,,,,,,,,
100.026.186,228-804-9,6359-72-4,"Sodium 5-[(3,5-dichloro-2-hydroxyphenyl)azo]-4-[(ethoxycarbonyl)amino]-6-hydroxynaphthalene-2-sulphonate","sodium 5-[(3,5-dichloro-2-hydroxyphenyl)diazenyl]-4-[(ethoxycarbonyl)amino]-6-hydroxynaphthalene-2-sulfonate",[Na+].Oc3c(N=Nc1c2c(NC(=O)OCC)cc(cc2ccc1O)S([O-])(=O)=O)cc(Cl)cc3Cl,[Na+].Oc3c(N=Nc1c2c(NC(=O)OCC)cc(cc2ccc1O)S([O-])(=O)=O)cc(Cl)cc3Cl,"InChI=1/C19H15Cl2N3O7S.Na/c1-2-31-19(27)22-13-8-11(32(28,29)30)5-9-3-4-15(25)17(16(9)13)24-23-14-7-10(20)6-12(21)18(14)26;/h3-8,25-26H,2H2,1H3,(H,22,27)(H,28,29,30);/q;+1/p-1",C19H15Cl2N3O7S.Na,,,,,,JCSWKKKPQIJIEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.026.187,228-805-4,6359-74-6,"Sodium p-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzenesulphonate","sodium 4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=NC3C(\\C)=N/N(c2ccccc2)C3=O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=NC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C16H14N4O4S.Na/c1-11-15(16(21)20(19-11)13-5-3-2-4-6-13)18-17-12-7-9-14(10-8-12)25(22,23)24;/h2-10,15H,1H3,(H,22,23,24);/q;+1/p-1",C16H14N4O4S.Na,,,,,,XLLUEJQCEHXOQY-UHFFFAOYSA-M,,,,,,,,,,,
100.026.188,228-807-5,6359-80-4,"Sodium 2'-[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate","sodium 6-methyl-2'-{4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]phenyl}-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].C/C7=N/N(c1ccccc1)C(=O)C7N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O,[Na+].C/C7=N/N(c1ccccc1)C(=O)C7N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O,"InChI=1/C31H22N6O4S3.Na/c1-17-8-14-24-27(28(17)44(39,40)41)43-30(33-24)20-11-15-23-25(16-20)42-29(32-23)19-9-12-21(13-10-19)34-35-26-18(2)36-37(31(26)38)22-6-4-3-5-7-22;/h3-16,26H,1-2H3,(H,39,40,41);/q;+1/p-1",C31H22N6O4S3.Na,,,,,,CTRCUEJBQJXLOE-UHFFFAOYSA-M,,,,,,,,,,,
100.026.191,228-810-1,6359-85-9,Sodium 4-(3-methyl-4-(4-methyl-3-(phenylaminosulphonyl)phenylazo)-5-hydroxypyrazol-1-yl)benzenesulphonate,sodium 4-(5-hydroxy-3-methyl-4-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}-1H-pyrazol-1-yl)benzenesulfonate,[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=Nc4c(C)nn(c3ccc(cc3)S([O-])(=O)=O)c4O,[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=Nc4c(C)nn(c3ccc(cc3)S([O-])(=O)=O)c4O,"InChI=1/C23H21N5O6S2.Na/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34;/h3-14,27,29H,1-2H3,(H,32,33,34);/q;+1/p-1",C23H21N5O6S2.Na,,,,,,VKLQVFKYJGXGKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.026.194,228-813-8,6359-90-6,Sodium 4-chloro-3-(5-hydroxy-3-methyl-4-phenylazopyrazol-1-yl)benzenesulphonate,sodium 4-chloro-3-[5-hydroxy-3-methyl-4-(phenyldiazenyl)-1H-pyrazol-1-yl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)n3nc(C)c(N=Nc2ccccc2)c3O,[Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)n3nc(C)c(N=Nc2ccccc2)c3O,"InChI=1/C16H13ClN4O4S.Na/c1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17;/h2-9,22H,1H3,(H,23,24,25);/q;+1/p-1",C16H13ClN4O4S.Na,,,,,,XTDHLZQYFZZSCM-UHFFFAOYSA-M,,,,,,,,,,,
100.026.195,228-814-3,6359-91-7,Sodium 3-chloro-4-(5-hydroxy-3-methyl-4-(3-(phenylaminosulphonyl)phenylazo)-1H-pyrazole-1-yl)benzenesulphonate,sodium 3-chloro-4-(5-hydroxy-3-methyl-4-{[3-(phenylsulfamoyl)phenyl]diazenyl}-1H-pyrazol-1-yl)benzenesulfonate,[Na+].O=S(=O)(Nc1ccccc1)c2cccc(c2)N=Nc4c(C)nn(c3ccc(cc3Cl)S([O-])(=O)=O)c4O,[Na+].O=S(=O)(Nc1ccccc1)c2cccc(c2)N=Nc4c(C)nn(c3ccc(cc3Cl)S([O-])(=O)=O)c4O,"InChI=1/C22H18ClN5O6S2.Na/c1-14-21(22(29)28(26-14)20-11-10-18(13-19(20)23)36(32,33)34)25-24-16-8-5-9-17(12-16)35(30,31)27-15-6-3-2-4-7-15;/h2-13,27,29H,1H3,(H,32,33,34);/q;+1/p-1",C22H18ClN5O6S2.Na,,,,,,LJGQVHYFLNTZIW-UHFFFAOYSA-M,,,,,,,,,,,
100.027.370,230-106-4,6946-22-1,3-aminophthalic acid hydrochloride,3-aminophthalic acid hydrochloride,Cl.Nc1cccc(C(=O)O)c1C(=O)O,Cl.Nc1cccc(C(=O)O)c1C(=O)O,"InChI=1/C8H7NO4.ClH/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H",C8H7NO4.ClH,,,,,,ZBZAVEORKXFUQB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.371,230-108-5,6946-29-8,4-aminosalicylohydrazide,4-amino-2-hydroxybenzohydrazide,NNC(=O)c1ccc(N)cc1O,NNC(=O)c1ccc(N)cc1O,"InChI=1/C7H9N3O2/c8-4-1-2-5(6(11)3-4)7(12)10-9/h1-3,11H,8-9H2,(H,10,12)",C7H9N3O2,,,,,,FYZGXAKJVDHGDR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.374,230-111-1,6947-02-0,Cyclohexyl acetoacetate,cyclohexyl 3-oxobutanoate,CC(=O)CC(=O)OC1CCCCC1,CC(=O)CC(=O)OC1CCCCC1,"InChI=1/C10H16O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h9H,2-7H2,1H3",C10H16O3,,,,,,GJOSRMAVDXJBCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.004,231-905-0,7778-49-6,"Citric acid, potassium salt","potassium 3,4-dicarboxy-3-hydroxybutanoate",[K+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O,[K+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O,"InChI=1/C6H8O7.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1",C6H8O7.xK,,,,,,WKZJASQVARUVAW-UHFFFAOYSA-M,,,,,,,,,,,
100.029.005,231-906-6,7778-50-9,Potassium dichromate,-,[K+].[K+].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-],[K+].[K+].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-],"InChI=1/2Cr.2K.7O/q;;2*+1;;;;;;2*-1/rCr2O7.2K/c3-1(4,5)9-2(6,7)8;;/q-2;2*+1",Cr2H2O7.2K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15102,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.005,KMUONIBRACKNSN-UHFFFAOYSA-N,,,,,,,,,,,
100.029.009,231-910-8,7778-70-3,"Benzothiazole-2(3H)-thione, potassium salt",-,[K+].S=C1Nc2ccccc2S1,[K+].S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.K/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1",C7H5NS2.K,,,,,,ZKTKNAXWCMIKLK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.011,231-912-9,7778-74-7,Potassium perchlorate,potassium perchlorate,[K+].[O-]Cl(=O)(=O)=O,[K+].[O-]Cl(=O)(=O)=O,"InChI=1/ClHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",ClHO4.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10016,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.011,YLMGFJXSLBMXHK-UHFFFAOYSA-M,,,,,,,,,,,
100.006.475,207-120-4,438-67-5,Estrone sodium sulphate,"sodium 17-oxoestra-1,3,5(10)-trien-3-yl sulfate",[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CCC2=O,[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CCC2=O,"InChI=1/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1",C18H22O5S.Na,,,,,,VUCAHVBMSFIGAI-ZFINNJDLSA-M,,,,,,,,,,,
100.006.484,207-130-9,442-16-0,Ethacridine,"7-ethoxyacridine-3,9-diamine",CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,"InChI=1/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)",C15H15N3O,,,,,,CIKWKGFPFXJVGW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.485,207-131-4,442-51-3,Harmine,7-methoxy-1-methyl-9H-beta-carboline,COc1ccc2c(c1)[nH]c3c(C)nccc23,COc1ccc2c(c1)[nH]c3c(C)nccc23,"InChI=1/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3",C13H12N2O,,,,,,BXNJHAXVSOCGBA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.490,207-137-7,443-72-1,Methyl(purin-6-yl)amine,N-methyl-9H-purin-6-amine,CNc1ncnc2[nH]cnc12,CNc1ncnc2[nH]cnc12,"InChI=1/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)",C6H7N5,,,,,,CKOMXBHMKXXTNW-UHFFFAOYSA-N,,,,,,,,,,,
100.006.492,207-139-8,443-79-8,DL-allo-isoleucine,isoleucine,CCC(C)C(N)C(=O)O,CCC(C)C(N)C(=O)O,"InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",C6H13NO2,,,,,,AGPKZVBTJJNPAG-UHFFFAOYSA-N,,,,,,,,,,,
100.006.493,207-140-3,443-82-3,3-fluoro-o-xylene,"1-fluoro-2,3-dimethylbenzene",Cc1cccc(F)c1C,Cc1cccc(F)c1C,"InChI=1/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3",C8H9F,,,,,,AWLDSXJCQWTJPC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.496,207-144-5,443-88-9,2-fluoro-m-xylene,"2-fluoro-1,3-dimethylbenzene",Cc1cccc(C)c1F,Cc1cccc(C)c1F,"InChI=1/C8H9F/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3",C8H9F,,,,,,JTAUTNBVFDTYTI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.504,207-152-9,445-13-6,3-chloro-4-(trifluoromethyl)aniline,3-chloro-4-(trifluoromethyl)aniline,Nc1ccc(c(Cl)c1)C(F)(F)F,Nc1ccc(c(Cl)c1)C(F)(F)F,"InChI=1/C7H5ClF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2",C7H5ClF3N,,,,,,KZAMRRANXJVDCD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.506,207-155-5,445-26-1,2-fluoro-a-methylbenzyl alcohol,1-(2-fluorophenyl)ethanol,CC(O)c1ccccc1F,CC(O)c1ccccc1F,"InChI=1/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3",C8H9FO,,,,,,SXFYVXSOEBCFLV-UHFFFAOYSA-N,,,,,,,,,,,
100.006.508,207-157-6,445-28-3,2-fluorobenzamide,2-fluorobenzamide,NC(=O)c1ccccc1F,NC(=O)c1ccccc1F,"InChI=1/C7H6FNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)",C7H6FNO,,,,,,KGGHWIKBOIQEAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.513,207-162-3,446-30-0,4-chloro-2-fluorobenzoic acid,4-chloro-2-fluorobenzoic acid,OC(=O)c1ccc(Cl)cc1F,OC(=O)c1ccc(Cl)cc1F,"InChI=1/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)",C7H4ClFO2,,,,,,ZLPXBWMVZANJJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.516,207-166-5,446-34-4,3-fluoro-4-nitrotoluene,2-fluoro-4-methyl-1-nitrobenzene,Cc1ccc(c(F)c1)[N+](=O)[O-],Cc1ccc(c(F)c1)[N+](=O)[O-],"InChI=1/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3",C7H6FNO2,,,,,,WZMOWQCNPFDWPA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.906,210-896-7,625-50-3,N-ethylacetamide,N-ethylacetamide,CCNC(=O)C,CCNC(=O)C,"InChI=1/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)",C4H9NO,,,,,,PMDCZENCAXMSOU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.915,210-905-4,625-65-0,"2,4-dimethylpent-2-ene","2,4-dimethylpent-2-ene",CC(C)C=C(C)C,CC(C)C=C(C)C,"InChI=1/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3",C7H14,,,,,,VVCFYASOGFVJFN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.916,210-907-5,625-69-4,"Pentane-2,4-diol","pentane-2,4-diol",CC(O)CC(C)O,CC(O)CC(C)O,"InChI=1/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3",C5H12O2,,,,,,GTCCGKPBSJZVRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.923,210-914-3,625-86-5,"2,5-dimethylfuran","2,5-dimethylfuran",Cc1oc(C)cc1,Cc1oc(C)cc1,"InChI=1/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3",C6H8O,,,,,,GSNUFIFRDBKVIE-UHFFFAOYSA-N,,,,,,,,,,,
100.009.924,210-915-9,625-88-7,"2,5-diiodothiophene","2,5-diiodothiophene",Ic1ccc(I)s1,Ic1ccc(I)s1,InChI=1/C4H2I2S/c5-3-1-2-4(6)7-3/h1-2H,C4H2I2S,,,,,,PNYWRAHWEIOAGK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.929,210-921-1,626-00-6,m-diiodobenzene,"1,3-diiodobenzene",Ic1cccc(I)c1,Ic1cccc(I)c1,InChI=1/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4I2,,,,,,SFPQFQUXAJOWNF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.930,210-922-7,626-01-7,3-iodoaniline,3-iodoaniline,Nc1cccc(I)c1,Nc1cccc(I)c1,"InChI=1/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",C6H6IN,,,,,,FFCSRWGYGMRBGD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.935,210-927-4,626-06-2,"Pyridine-2,6-diol","pyridine-2,6-diol",Oc1cccc(O)n1,Oc1cccc(O)n1,"InChI=1/C5H5NO2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)",C5H5NO2,,,,,,WLFXSECCHULRRO-UHFFFAOYSA-N,,,,,,,,,,,
100.029.093,232-002-4,7783-50-8,Iron trifluoride,iron(3+) trifluoride,F[Fe](F)F,F[Fe](F)F,InChI=1/3FH.Fe/h3*1H;/q;;;+3/p-3,F3Fe,,,,,,SHXXPRJOPFJRHA-UHFFFAOYSA-K,,,,,,,,,,,
100.029.094,232-004-5,7783-51-9,Gallium trifluoride,gallium trifluoride,[F-].[F-].[F-].[Ga+3],[F-].[F-].[F-].[Ga+3],InChI=1/3FH.Ga/h3*1H;/q;;;+3/p-3,F3Ga,,,,,,WXXZSFJVAMRMPV-UHFFFAOYSA-K,,,,,,,,,,,
100.025.850,228-434-8,6266-23-5,N-carboxymethylpyridinium chloride,1-(carboxymethyl)pyridinium chloride,[Cl-].OC(=O)C[n+]1ccccc1,[Cl-].OC(=O)C[n+]1ccccc1,"InChI=1/C7H7NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-5H,6H2;1H",C7H8NO2.Cl,,,,,,FPMXPTIRDWHULR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.858,228-443-7,6269-89-2,1-(4-nitrophenyl)piperazine,1-(4-nitrophenyl)piperazine,[O-][N+](=O)c1ccc(cc1)N2CCNCC2,[O-][N+](=O)c1ccc(cc1)N2CCNCC2,"InChI=1/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2",C10H13N3O2,,,,,,VWOJSRICSKDKAW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.865,228-451-0,6270-34-4,Isopropyl 2-furoate,isopropyl 2-furoate,CC(C)OC(=O)c1occc1,CC(C)OC(=O)c1occc1,"InChI=1/C8H10O3/c1-6(2)11-8(9)7-4-3-5-10-7/h3-6H,1-2H3",C8H10O3,,,,,,IIISLCMALFIFKE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.869,228-455-2,6270-63-9,(1H)-pyrazin-2-one,pyrazin-2(1H)-one,O=C1NC=CN=C1,O=C1NC=CN=C1,"InChI=1/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)",C4H4N2O,,,,,,HUTNOYOBQPAKIA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.870,228-456-8,6271-78-9,6-chloronicotinamide,6-chloronicotinamide,O=C(N)c1cnc(Cl)cc1,O=C(N)c1cnc(Cl)cc1,"InChI=1/C6H5ClN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)",C6H5ClN2O,,,,,,ZIJAZUBWHAZHPL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.873,228-459-4,6272-27-1,"6,7-dihydroxy-2H-benzofuran-3-one","6,7-dihydroxy-1-benzofuran-3(2H)-one",Oc1ccc2C(=O)COc2c1O,Oc1ccc2C(=O)COc2c1O,"InChI=1/C8H6O4/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-2,9,11H,3H2",C8H6O4,,,,,,ZDHCVQNIRWDINX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.503,230-252-9,6986-67-0,"5-methyl-2,5-dipropyl-1,3-dioxane","5-methyl-2,5-dipropyl-1,3-dioxane",CCCC1OCC(C)(CCC)CO1,CCCC1OCC(C)(CCC)CO1,"InChI=1/C11H22O2/c1-4-6-10-12-8-11(3,7-5-2)9-13-10/h10H,4-9H2,1-3H3",C11H22O2,,,,,,VOZFNVXRRIGFPH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.504,230-253-4,6988-21-2,Dioxacarb,"2-(1,3-dioxolan-2-yl)phenyl methylcarbamate",CNC(=O)Oc1ccccc1C2OCCO2,CNC(=O)Oc1ccccc1C2OCCO2,"InChI=1/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)",C11H13NO4,,,,,,SDKQRNRRDYRQKY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.511,230-261-8,6992-73-0,2-[2-(acetylphenylamino)vinyl]-3-ethylbenzoxazolium iodide,"2-{2-[acetyl(phenyl)amino]vinyl}-3-ethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]1c(oc2ccccc12)\\C=C\\N(C(=O)C)c3ccccc3,[I-].CC[n+]1c(oc2ccccc12)\C=C\N(C(=O)C)c3ccccc3,"InChI=1/C19H19N2O2.HI/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16;/h4-14H,3H2,1-2H3;1H/q+1;/p-1",C19H19N2O2.I,,,,,,SGSGUFNNYSEVCY-UHFFFAOYSA-M,,,,,,,,,,,
100.027.512,230-262-3,6994-25-8,Ethyl 3-amino-1H-pyrazole-4-carboxylate,ethyl 5-amino-1H-pyrazole-4-carboxylate,CCOC(=O)c1cn[nH]c1N,CCOC(=O)c1cn[nH]c1N,"InChI=1/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)",C6H9N3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5885,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.512,YPXGHKWOJXQLQU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.517,230-268-6,6994-64-5,"3-amino-2,6-xylenol","3-amino-2,6-dimethylphenol",Cc1ccc(N)c(C)c1O,Cc1ccc(N)c(C)c1O,"InChI=1/C8H11NO/c1-5-3-4-7(9)6(2)8(5)10/h3-4,10H,9H2,1-2H3",C8H11NO,,,,,,XSBKXUJEVYHSNO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.518,230-269-1,6/01/6996,"1,1,2,2,3,3,3-heptafluoro-1-(vinyloxy)propane","1,1,1,2,2,3,3-heptafluoro-3-(vinyloxy)propane",FC(F)(F)C(F)(F)C(F)(F)OC=C,FC(F)(F)C(F)(F)C(F)(F)OC=C,"InChI=1/C5H3F7O/c1-2-13-5(11,12)3(6,7)4(8,9)10/h2H,1H2",C5H3F7O,,,,,,DAVCAHWKKDIRLY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.520,230-271-2,6996-92-5,Seleninobenzoic acid,2-seleninobenzoic acid,OC(=O)c1ccccc1[Se](=O)O,OC(=O)c1ccccc1[Se](=O)O,"InChI=1/C7H6O4Se/c8-7(9)5-3-1-2-4-6(5)12(10)11/h1-4H,(H,8,9)(H,10,11)",C6H6O2Se,,,,,,HMAYFGUUCTWIMX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.522,230-273-3,6998-60-3,Rifamycin,"5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate",CO[C@H]1\\C=C\\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\\C)cc(O)c4c3C2=O,CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)cc(O)c4c3C2=O,"InChI=1/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)",C37H47NO12,,,,,,HJYYPODYNSCCOU-ODRIEIDWSA-N,,,,,,,,,,,
100.024.257,226-683-7,5451-57-0,4-tert-butylcyclohexyl isobutyrate,4-tert-butylcyclohexyl 2-methylpropanoate,CC(C)C(=O)OC1CCC(CC1)C(C)(C)C,CC(C)C(=O)OC1CCC(CC1)C(C)(C)C,"InChI=1/C14H26O2/c1-10(2)13(15)16-12-8-6-11(7-9-12)14(3,4)5/h10-12H,6-9H2,1-5H3",C14H26O2,,,,,,RMCOAKZBTKDTCI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.639,230-402-3,7095-16-1,Magnesium methacrylate,magnesium bis(2-methylacrylate),[Mg+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Mg+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Mg/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Mg,,,,,,DZBOAIYHPIPCBP-UHFFFAOYSA-L,,,,,,,,,,,
100.030.472,233-533-4,10220-46-9,Octadecyl mercaptoacetate,octadecyl sulfanylacetate,CCCCCCCCCCCCCCCCCCOC(=O)CS,CCCCCCCCCCCCCCCCCCOC(=O)CS,"InChI=1/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3",C20H40O2S,,,,,,JQTFPHLEQLLQOT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.477,233-539-7,10222-01-2,"2,2-dibromo-2-cyanoacetamide","2,2-dibromo-2-cyanoacetamide",NC(=O)C(Br)(Br)C#N,NC(=O)C(Br)(Br)C#N,"InChI=1/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)",C3H2Br2N2O,,,,,,UUIVKBHZENILKB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.481,233-543-9,10226-28-5,"Ethyl 3,4-dihydro-6-methyl-2H-pyran-5-carboxylate","ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate",CCOC(=O)C1=C(C)OCCC1,CCOC(=O)C1=C(C)OCCC1,"InChI=1/C9H14O3/c1-3-11-9(10)8-5-4-6-12-7(8)2/h3-6H2,1-2H3",C9H14O3,,,,,,BWVSWJMSYLYIJA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.482,233-544-4,10226-29-6,6-bromohexan-2-one,6-bromohexan-2-one,CC(=O)CCCCBr,CC(=O)CCCCBr,"InChI=1/C6H11BrO/c1-6(8)4-2-3-5-7/h2-5H2,1H3",C6H11BrO,,,,,,CZGOECYPTLSLNI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.483,233-546-5,10226-30-9,6-chlorohexan-2-one,6-chlorohexan-2-one,CC(=O)CCCCCl,CC(=O)CCCCCl,"InChI=1/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3",C6H11ClO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17370,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.483,CMDIDTNMHQUVPE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.486,233-549-1,10228-03-2,2-[N-methyl-4-(methylamino)-3-nitroanilino]ethanol,2-{methyl[4-(methylamino)-3-nitrophenyl]amino}ethanol,CNc1ccc(cc1[N+](=O)[O-])N(C)CCO,CNc1ccc(cc1[N+](=O)[O-])N(C)CCO,"InChI=1/C10H15N3O3/c1-11-9-4-3-8(12(2)5-6-14)7-10(9)13(15)16/h3-4,7,11,14H,5-6H2,1-2H3",C10H15N3O3,,,,,,WFQYZMBZJONURU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.487,233-550-7,10229-10-4,Pent-3-yn-1-ol,pent-3-yn-1-ol,CC#CCCO,CC#CCCO,"InChI=1/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3",C5H8O,,,,,,IDYNOORNKYEHHO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.491,233-554-9,10232-86-7,(2-hydroxytrimethylene)bis[dodecyldimethylammonium] dibromide,"N,N'-didodecyl-2-hydroxy-N,N,N',N'-tetramethylpropane-1,3-diaminium dibromide",[Br-].[Br-].CCCCCCCCCCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCCCCCCCCCC,[Br-].[Br-].CCCCCCCCCCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCCCCCCCCCC,"InChI=1/C31H68N2O.2BrH/c1-7-9-11-13-15-17-19-21-23-25-27-32(3,4)29-31(34)30-33(5,6)28-26-24-22-20-18-16-14-12-10-8-2;;/h31,34H,7-30H2,1-6H3;2*1H/q+2;;/p-2",C31H68N2O.2Br,,,,,,AOARVGJNIOXRPG-UHFFFAOYSA-L,,,,,,,,,,,
100.030.497,233-561-7,10233-14-4,2-[2-(2-hydroxyethoxy)ethoxy]ethyl oleate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCOCCOCCO,CCCCCCCC\C=C/CCCCCCCC(=O)OCCOCCOCCO,"InChI=1/C24H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-22-28-21-20-27-19-18-25/h9-10,25H,2-8,11-23H2,1H3",C24H46O5,,,,,,RMLRKDHXZUVGCH-KTKRTIGZSA-N,,,,,,,,,,,
100.030.499,233-563-8,10233-88-2,Gold trisodium bis(thiosulphate),gold trisodium bis(thiosulphate),[Na+].[Na+].[Na+].[Au+].[O-]S(=O)(=O)[S-].[O-]S(=O)(=O)[S-],[Na+].[Na+].[Na+].[Au+].[O-]S(=O)(=O)[S-].[O-]S(=O)(=O)[S-],"InChI=1/Au.3Na.2H2O3S2/c;;;;2*1-5(2,3)4/h;;;;2*(H2,1,2,3,4)/q4*+1;;/p-4",Au.2H2O3S2.3Na,,,,,,FJCMCHNDCIYVST-UHFFFAOYSA-J,,,,,,,,,,,
100.024.375,226-812-7,5472-49-1,N-(3-chloropropyl)piperidine hydrochloride,1-(3-chloropropyl)piperidine hydrochloride,Cl.ClCCCN1CCCCC1,Cl.ClCCCN1CCCCC1,InChI=1/C8H16ClN.ClH/c9-5-4-8-10-6-2-1-3-7-10;/h1-8H2;1H,C8H16ClN.ClH,,,,,,OBOBUDMMFXRNDO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.376,226-813-2,5472-71-9,1-(4-morpholinomethyl)-1H-benzotriazole,1-(morpholin-4-ylmethyl)-1H-benzotriazole,C(N1CCOCC1)n2nnc3ccccc23,C(N1CCOCC1)n2nnc3ccccc23,"InChI=1/C11H14N4O/c1-2-4-11-10(3-1)12-13-15(11)9-14-5-7-16-8-6-14/h1-4H,5-9H2",C11H14N4O,,,,,,YZYQTUBWZGCDLR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.379,226-816-9,5486-55-5,"2,6-dimethoxynaphthalene","2,6-dimethoxynaphthalene",COc1ccc2cc(OC)ccc2c1,COc1ccc2cc(OC)ccc2c1,"InChI=1/C12H12O2/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-8H,1-2H3",C12H12O2,,,,,,AHKDVDYNDXGFPP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.380,226-817-4,5486-84-0,"4-(benzoylamino)-2,5-diethoxybenzenediazonium tetrachlorozincate (2:1)","bis[4-(benzoylamino)-2,5-diethoxybenzenediazonium] tetrachlorozincate(2-)",CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c2ccccc2.CCOc3cc([N+]#N)c(OCC)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c2ccccc2.CCOc3cc([N+]#N)c(OCC)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C17H17N3O3.4ClH.Zn/c2*1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;;/h2*5-11H,3-4H2,1-2H3;4*1H;/q;;;;;;+2/p-2/r2C17H17N3O3.Cl4Zn/c2*1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;1-5(2,3)4/h2*5-11H,3-4H2,1-2H3;/q;;-2/p+2",C17H18N3O3.1/2Cl4Zn,,,,,,CMFRFQODFZBKTI-UHFFFAOYSA-L,,,,,,,,,,,
100.029.012,231-913-4,7778-77-0,Potassium dihydrogenorthophosphate,potassium dihydrogen phosphate,[K+].OP(=O)(O)[O-],[K+].OP(=O)(O)[O-],"InChI=1/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",H2O4P.K,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15471,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.012,GNSKLFRGEWLPPA-UHFFFAOYSA-M,,,,,,,,,,,
100.029.018,231-920-2,7779-16-0,Cyclohexyl anthranilate,cyclohexyl 2-aminobenzoate,Nc1ccccc1C(=O)OC2CCCCC2,Nc1ccccc1C(=O)OC2CCCCC2,"InChI=1/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2",C13H17NO2,,,,,,KFEZETDKFSMLMG-UHFFFAOYSA-N,,,,,,,,,,,
100.029.019,231-921-8,7779-17-1,Cyclohexyl cinnamate,cyclohexyl 3-phenylacrylate,O=C(OC1CCCCC1)\\C=C\\c2ccccc2,O=C(OC1CCCCC1)\C=C\c2ccccc2,"InChI=1/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2",C15H18O2,,,,,,GCFAUZGWPDYAJN-VAWYXSNFSA-N,,,,,,,,,,,
100.029.020,231-922-3,7779-23-9,"1,5-dimethyl-1-vinylhex-4-enyl hexanoate","1,5-dimethyl-1-vinylhex-4-en-1-yl hexanoate",CCCCCC(=O)OC(C)(CCC=C(C)C)C=C,CCCCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3",C16H28O2,,,,,,ALKCLFLTXBBMMP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.031,231-934-9,7779-72-8,Isopentyl pyruvate,3-methylbutyl 2-oxopropanoate,CC(C)CCOC(=O)C(=O)C,CC(C)CCOC(=O)C(=O)C,"InChI=1/C8H14O3/c1-6(2)4-5-11-8(10)7(3)9/h6H,4-5H2,1-3H3",C8H14O3,,,,,,LBKWGGFVEDOVEP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.032,231-935-4,7779-73-9,Exo-bornyl isovalerate,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate",CC(C)CC(=O)OC1CC2CCC1(C)C2(C)C,CC(C)CC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3",C15H26O2,,,,,,MPYYVGIJHREDBO-UHFFFAOYSA-N,,,,,,,,,,,
100.029.035,231-939-6,7779-78-4,4-methyl-1-phenylpentan-2-ol,4-methyl-1-phenylpentan-2-ol,CC(C)CC(O)Cc1ccccc1,CC(C)CC(O)Cc1ccccc1,"InChI=1/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3",C12H18O,,,,,,IUADYGVMSDKSMB-UHFFFAOYSA-N,,,,,,,,,,,
100.029.036,231-940-1,7779-80-8,Isobutyl heptanoate,isobutyl heptanoate,CCCCCCC(=O)OCC(C)C,CCCCCCC(=O)OCC(C)C,"InChI=1/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3",C11H22O2,,,,,,HXJOYVPESRRCDB-UHFFFAOYSA-N,,,,,,,,,,,
100.029.037,231-941-7,7779-81-9,Isobutyl 2-methylisocrotonate,isobutyl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OCC(C)C,C\C=C(\C)/C(=O)OCC(C)C,"InChI=1/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3",C9H16O2,,,,,,XDEGQMQKHFPBEW-YVMONPNESA-N,,,,,,,,,,,
100.025.803,228-383-1,6254-48-4,3-phenyl-L-serine,beta-hydroxy-L-phenylalanine,N[C@@H](C(O)c1ccccc1)C(=O)O,N[C@@H](C(O)c1ccccc1)C(=O)O,"InChI=1/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)",C9H11NO3,,,,,,VHVGNTVUSQUXPS-JAMMHHFISA-N,,,,,,,,,,,
100.025.807,228-387-3,6257-39-2,"3,4',5-tris(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol","3,4',5-tri-tert-butylbiphenyl-4-ol",CC(C)(C)c1ccc(cc1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C,CC(C)(C)c1ccc(cc1)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C,"InChI=1/C24H34O/c1-22(2,3)18-12-10-16(11-13-18)17-14-19(23(4,5)6)21(25)20(15-17)24(7,8)9/h10-15,25H,1-9H3",C24H34O,,,,,,USTAEAIVHPZIQS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.808,228-388-9,6257-64-3,"N,N,N',N'-tetramethyl-4,4'-azodianiline","4,4'-diazene-1,2-diylbis(N,N-dimethylaniline)",CN(C)c2ccc(N=Nc1ccc(cc1)N(C)C)cc2,CN(C)c2ccc(N=Nc1ccc(cc1)N(C)C)cc2,"InChI=1/C16H20N4/c1-19(2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20(3)4/h5-12H,1-4H3",C16H20N4,,,,,,NMTGSDIMWJJCNO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.816,228-397-8,1/08/6259,5-chloro-4-nitro-o-anisidine,5-chloro-2-methoxy-4-nitroaniline,COc1cc(c(Cl)cc1N)[N+](=O)[O-],COc1cc(c(Cl)cc1N)[N+](=O)[O-],"InChI=1/C7H7ClN2O3/c1-13-7-3-6(10(11)12)4(8)2-5(7)9/h2-3H,9H2,1H3",C7H7ClN2O3,,,,,,POKAEVPBUOLQIY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.819,228-400-2,6259-38-7,5-chloro-2-phenoxyanilinium chloride,5-chloro-2-phenoxyanilinium chloride,[Cl-].[NH3+]c1cc(Cl)ccc1Oc2ccccc2,[Cl-].[NH3+]c1cc(Cl)ccc1Oc2ccccc2,"InChI=1/C12H10ClNO.ClH/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10;/h1-8H,14H2;1H",C12H10ClNO.ClH,,,,,,QKIGADSBXMJRPC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.821,228-402-3,6259-40-1,3-chloro-o-toluidinium chloride,3-chloro-2-methylanilinium chloride,[Cl-].Cc1c([NH3+])cccc1Cl,[Cl-].Cc1c([NH3+])cccc1Cl,"InChI=1/C7H8ClN.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,9H2,1H3;1H",C7H8ClN.ClH,,,,,,WCZGXAZCBNLQJB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.826,228-408-6,6259-76-3,Hexyl salicylate,hexyl salicylate,CCCCCCOC(=O)c1ccccc1O,CCCCCCOC(=O)c1ccccc1O,"InChI=1/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3",C13H18O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14766,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.826,DUKPKQFHJQGTGU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.829,228-411-2,6261-22-9,Pent-2-yn-1-ol,pent-2-yn-1-ol,CCC#CCO,CCC#CCO,"InChI=1/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3",C5H8O,,,,,,WLPYSOCRPHTIDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.840,228-423-8,6264-40-0,"5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione","5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione",CSC1=NNC(=S)S1,CSC1=NNC(=S)S1,"InChI=1/C3H4N2S3/c1-7-3-5-4-2(6)8-3/h1H3,(H,4,6)",C3H4N2S3,,,,,,CFWGYKRJMYXYND-UHFFFAOYSA-N,,,,,,,,,,,
100.009.936,210-929-5,626-08-4,"3,4-dihydro-3-thioxo-1,2,4-triazin-5(2H)-one","3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one",O=C1NC(=S)NN=C1,O=C1NC(=S)NN=C1,"InChI=1/C3H3N3OS/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)",C3H3N3OS,,,,,,HZPZCLDCTLLJTF-UHFFFAOYSA-N,,,,,,,,,,,
100.009.937,210-930-0,626-11-9,Diethyl (±)-malate,diethyl malate,CCOC(=O)CC(O)C(=O)OCC,CCOC(=O)CC(O)C(=O)OCC,"InChI=1/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3",C8H14O5,,,,,,VKNUORWMCINMRB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.941,210-934-2,626-18-6,"m-xylene-a,a'-diol","1,3-phenylenedimethanol",OCc1cccc(CO)c1,OCc1cccc(CO)c1,"InChI=1/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2",C8H10O2,,,,,,YWMLORGQOFONNT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.944,210-937-9,626-23-3,Di-sec-butylamine,N-sec-butylbutan-2-amine,CCC(C)NC(C)CC,CCC(C)NC(C)CC,"InChI=1/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3",C8H19N,,,,,,OBYVIBDTOCAXSN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.950,210-944-7,626-35-7,Ethyl nitroacetate,ethyl nitroacetate,CCOC(=O)C[N+](=O)[O-],CCOC(=O)C[N+](=O)[O-],"InChI=1/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3",C4H7NO4,,,,,,FTKASJMIPSSXBP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.316,208-047-0,506-61-6,Potassium dicyanoargentate,-,[K+].[Ag+].[C-]#N.[C-]#N,[K+].[Ag+].[C-]#N.[C-]#N,InChI=1/2CN.Ag.K/c2*1-2;;/q2*-1;2*+1,C2AgN2.K,,,,,,HKSGQTYSSZOJOA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.318,208-049-1,506-65-0,Gold monocyanide,gold(1+) cyanide,[Au+].[C-]#N,[Au+].[C-]#N,InChI=1/CN.Au/c1-2;/q-1;+1,CAuN,,,,,,IZLAVFWQHMDDGK-UHFFFAOYSA-N,,,,,,,,,,,
100.007.320,208-051-2,506-68-3,Cyanogen bromide,cyanic bromide,BrC#N,BrC#N,InChI=1/CBrN/c2-1-3,CBrN,,,,,,ATDGTVJJHBUTRL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.325,208-057-5,506-83-2,Bromomethylmercury,bromo(methyl)mercury,Br[Hg]C,Br[Hg]C,InChI=1/CH3.BrH.Hg/h1H3;1H;/q;;+1/p-1/rCH3BrHg/c1-3-2/h1H3,CH3BrHg,,,,,,ZDHHIJSLJCLMPX-UHFFFAOYSA-M,,,,,,,,,,,
100.007.328,208-060-1,506-93-4,Guanidinium nitrate,amino(imino)methanaminium nitrate,[NH3+]C(N)=N.[O-][N+]([O-])=O,[NH3+]C(N)=N.[O-][N+]([O-])=O,"InChI=1/CH5N3.NO3/c2*2-1(3)4/h(H5,2,3,4);/q;-1/p+1",CH5N3.HNO3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16017,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.328,MJFQUUWPZOGYQT-UHFFFAOYSA-O,,,,,,,,,,,
100.007.331,208-063-8,507-09-5,Thioacetic acid,ethanethioic S-acid,CC(=O)S,CC(=O)S,"InChI=1/C2H4OS/c1-2(3)4/h1H3,(H,3,4)",C2H4OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12473,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.331,DUYAAUVXQSMXQP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.333,208-065-9,507-19-7,2-bromo-2-methylpropane,2-bromo-2-methylpropane,CC(C)(C)Br,CC(C)(C)Br,"InChI=1/C4H9Br/c1-4(2,3)5/h1-3H3",C4H9Br,,,,,,RKSOPLXZQNSWAS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.334,208-066-4,507-20-0,2-chloro-2-methylpropane,2-chloro-2-methylpropane,CC(C)(C)Cl,CC(C)(C)Cl,"InChI=1/C4H9Cl/c1-4(2,3)5/h1-3H3",C4H9Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12527,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.334,NBRKLOOSMBRFMH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.337,208-070-6,507-28-8,Tetraphenylarsonium chloride,tetraphenylarsonium chloride,[Cl-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4,[Cl-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20As.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",C24H20As.Cl,,,,,,NRZGVGVFPHPXEO-UHFFFAOYSA-M,,,,,,,,,,,
100.007.346,208-080-0,507-70-0,DL-borneol,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2,CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2,"InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,DTGKSKDOIYIVQL-WEDXCCLWSA-N,,,,,,,,,,,
100.007.356,208-091-0,508-99-6,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-cyclopentanepropionate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 3-cyclopentylpropanoate",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC5CCCC5)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC5CCCC5)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3",C29H42O6,,,,,,DLVOSEUFIRPIRM-KAQKJVHQSA-N,,,,,,,,,,,
100.007.358,208-093-1,509-09-1,Silver(1+) pentafluoropropionate,silver(1+) pentafluoropropanoate,[Ag+].[O-]C(=O)C(F)(F)C(F)(F)F,[Ag+].[O-]C(=O)C(F)(F)C(F)(F)F,"InChI=1/C3HF5O2.Ag/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);/q;+1/p-1",C3HF5O2.Ag,,,,,,XAYJXAUUXJTOSI-UHFFFAOYSA-M,,,,,,,,,,,
100.007.361,208-096-8,509-34-2,"3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)N(CC)CC)c1,CCN(CC)c1ccc2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)N(CC)CC)c1,"InChI=1/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3",C28H30N2O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18971,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.361,DZNJMLVCIZGWSC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.262,226-688-4,5451-87-6,2-ethylhexyl valerate,2-ethylhexyl valerate,CCCCC(CC)COC(=O)CCCC,CCCCC(CC)COC(=O)CCCC,"InChI=1/C13H26O2/c1-4-7-9-12(6-3)11-15-13(14)10-8-5-2/h12H,4-11H2,1-3H3",C13H26O2,,,,,,FSJUXYZQJUNUBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.269,226-696-8,5452-83-5,2-[2-(piperidyl)ethyl]pyridine,2-(2-piperidin-1-ylethyl)pyridine,C(Cc1ccccn1)N2CCCCC2,C(Cc1ccccn1)N2CCCCC2,"InChI=1/C12H18N2/c1-4-9-14(10-5-1)11-7-12-6-2-3-8-13-12/h2-3,6,8H,1,4-5,7,9-11H2",C12H18N2,,,,,,ZOXWZYTVCGKPOX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.279,226-707-6,5454-28-4,Butyl heptanoate,butyl heptanoate,CCCCCCC(=O)OCCCC,CCCCCCC(=O)OCCCC,"InChI=1/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3",C11H22O2,,,,,,YPQSPODHFDGVAC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.237,228-860-4,8/10/6367,(S)-2-(acetylamino)-6-amino-N-methylhexanamide,N~2~-acetyl-N-methyl-L-lysinamide,CNC(=O)[C@H](CCCCN)NC(=O)C,CNC(=O)[C@H](CCCCN)NC(=O)C,"InChI=1/C9H19N3O2/c1-7(13)12-8(9(14)11-2)5-3-4-6-10/h8H,3-6,10H2,1-2H3,(H,11,14)(H,12,13)",C9H19N3O2,,,,,,FECUPDBTEVPIIE-QMMMGPOBSA-N,,,,,,,,,,,
100.026.239,228-863-0,6368-90-7,4'-amino-5'-chloro-2'-methoxybenzanilide,N-(4-amino-5-chloro-2-methoxyphenyl)benzamide,COc1cc(N)c(Cl)cc1NC(=O)c2ccccc2,COc1cc(N)c(Cl)cc1NC(=O)c2ccccc2,"InChI=1/C14H13ClN2O2/c1-19-13-8-11(16)10(15)7-12(13)17-14(18)9-5-3-2-4-6-9/h2-8H,16H2,1H3,(H,17,18)",C14H13ClN2O2,,,,,,VIUTVHGOAOMQHY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.244,228-868-8,6369-33-1,Sodium 3-[[5-(acetylethylamino)-o-tolyl]azo]-4-hydroxy-6-[(4-methoxyphenyl)amino]naphthalene-2-sulphonate,sodium 3-({5-[acetyl(ethyl)amino]-2-methylphenyl}diazenyl)-4-hydroxy-6-[(4-methoxyphenyl)amino]naphthalene-2-sulfonate,[Na+].COc4ccc(Nc2cc3c(O)c(N=Nc1cc(ccc1C)N(CC)C(C)=O)c(cc3cc2)S([O-])(=O)=O)cc4,[Na+].COc4ccc(Nc2cc3c(O)c(N=Nc1cc(ccc1C)N(CC)C(C)=O)c(cc3cc2)S([O-])(=O)=O)cc4,"InChI=1/C28H28N4O6S.Na/c1-5-32(18(3)33)22-11-6-17(2)25(16-22)30-31-27-26(39(35,36)37)14-19-7-8-21(15-24(19)28(27)34)29-20-9-12-23(38-4)13-10-20;/h6-16,29,34H,5H2,1-4H3,(H,35,36,37);/q;+1/p-1",C28H28N4O6S.Na,,,,,,HNBPOFFEOSOAKW-UHFFFAOYSA-M,,,,,,,,,,,
100.026.246,228-870-9,6369-36-4,"Sodium 7-[(3-aminobenzoyl)amino]-3-[(2,4-dimethylphenyl)azo]-4-hydroxynaphthalene-2-sulphonate","sodium 7-[(3-aminobenzoyl)amino]-3-[(2,4-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate",[Na+].Nc1cccc(c1)C(=O)Nc2ccc4c(c2)cc(c(N=Nc3ccc(C)cc3C)c4O)S([O-])(=O)=O,[Na+].Nc1cccc(c1)C(=O)Nc2ccc4c(c2)cc(c(N=Nc3ccc(C)cc3C)c4O)S([O-])(=O)=O,"InChI=1/C25H22N4O5S.Na/c1-14-6-9-21(15(2)10-14)28-29-23-22(35(32,33)34)13-17-12-19(7-8-20(17)24(23)30)27-25(31)16-4-3-5-18(26)11-16;/h3-13,30H,26H2,1-2H3,(H,27,31)(H,32,33,34);/q;+1/p-1",C25H22N4O5S.Na,,,,,,GSAWRBJCZDOLLM-UHFFFAOYSA-M,,,,,,,,,,,
100.027.889,230-678-5,7257-44-5,Sodium N-[(4-aminophenyl)sulphonyl]benzamidate,sodium [(4-aminophenyl)sulfonyl](benzoyl)azanide,Nc1ccc(cc1)S(=O)(=O)N([Na])C(=O)c2ccccc2,Nc1ccc(cc1)S(=O)(=O)N([Na])C(=O)c2ccccc2,"InChI=1/C13H12N2O3S.Na/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10;/h1-9H,14H2,(H,15,16);/q;+1/p-1/rC13H11N2NaO3S/c14-11-6-8-12(9-7-11)20(18,19)15(16)13(17)10-4-2-1-3-5-10/h1-9H,14H2",C13H12N2O3S.Na,,,,,,PUTNOWNJUKOGEY-UHFFFAOYSA-M,,,,,,,,,,,
100.027.896,230-685-3,7262-80-8,2-naphthyl myristate,2-naphthyl myristate,CCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1,CCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1,"InChI=1/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(25)26-23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20H,2-12,17H2,1H3",C24H34O2,,,,,,SKRXBZIJSNMVFA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.899,230-689-5,4/12/7270,Cloquinate,"8-hydroxy-7-iodoquinoline-5-sulfonic acid - N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (2:1)",CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Oc3c(I)cc(c4cccnc34)S(=O)(=O)O.Oc5c(I)cc(c6cccnc56)S(=O)(=O)O,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Oc3c(I)cc(c4cccnc34)S(=O)(=O)O.Oc5c(I)cc(c6cccnc56)S(=O)(=O)O,"InChI=1/C18H26ClN3.2C9H6INO4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1-4,12H,(H,13,14,15)",C18H26ClN3.2C9H6INO4S,,,,,,USABWIQJRBGMKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.900,230-690-0,7271-49-0,"5-heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione","5-heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione",CCCCCCCC1=NNC(=S)N1,CCCCCCCC1=NNC(=S)N1,"InChI=1/C9H17N3S/c1-2-3-4-5-6-7-8-10-9(13)12-11-8/h2-7H2,1H3,(H2,10,11,12,13)",C9H17N3S,,,,,,XTWRQARBVPMUPP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.908,230-698-4,1/04/7281,Benzyldodecyldimethylammonium bromide,"N-benzyl-N,N-dimethyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Br-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1",C21H38N.Br,,,,,,KHSLHYAUZSPBIU-UHFFFAOYSA-M,,,,,,,,,,,
100.027.909,230-700-3,7282-28-2,"Zinc bis(O,O-dihexyl) bis(dithiophosphate)","zinc bis(O,O-dihexyl dithiophosphate)",CCCCCCOP(=S)(OCCCCCC)S[Zn]SP(=S)(OCCCCCC)OCCCCCC,CCCCCCOP(=S)(OCCCCCC)S[Zn]SP(=S)(OCCCCCC)OCCCCCC,"InChI=1/2C12H27O2PS2.Zn/c2*1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2;/h2*3-12H2,1-2H3,(H,16,17);/q;;+2/p-2/rC24H52O4P2S4Zn/c1-5-9-13-17-21-25-29(31,26-22-18-14-10-6-2)33-35-34-30(32,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-24H2,1-4H3",C12H27O2PS2.1/2Zn,,,,,,ZBDJNBFTEIUHPK-UHFFFAOYSA-L,,,,,,,,,,,
100.024.384,226-822-1,5489-77-0,"Disodium 7-anilino-3-[[4-[(2,4-dimethyl-6-sulphonatophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonate","disodium 7-anilino-3-({4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2-methoxy-5-methylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].COc5cc(N=Nc1c(cc(C)cc1C)S([O-])(=O)=O)c(C)cc5N=Nc4c(cc3cc(Nc2ccccc2)ccc3c4O)S([O-])(=O)=O,[Na+].[Na+].COc5cc(N=Nc1c(cc(C)cc1C)S([O-])(=O)=O)c(C)cc5N=Nc4c(cc3cc(Nc2ccccc2)ccc3c4O)S([O-])(=O)=O,"InChI=1/C32H29N5O8S2.2Na/c1-18-12-20(3)30(28(13-18)46(39,40)41)36-34-25-17-27(45-4)26(14-19(25)2)35-37-31-29(47(42,43)44)16-21-15-23(10-11-24(21)32(31)38)33-22-8-6-5-7-9-22;;/h5-17,33,38H,1-4H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C32H29N5O8S2.2Na,,,,,,LARMRMCFZNGNNX-UHFFFAOYSA-L,,,,,,,,,,,
100.026.355,228-990-1,6387-15-1,5-amino-4-hydroxytoluene-3-sulphonic acid,3-amino-2-hydroxy-5-methylbenzenesulfonic acid,Cc1cc(N)c(O)c(c1)S(=O)(=O)O,Cc1cc(N)c(O)c(c1)S(=O)(=O)O,"InChI=1/C7H9NO4S/c1-4-2-5(8)7(9)6(3-4)13(10,11)12/h2-3,9H,8H2,1H3,(H,10,11,12)",C7H9NO4S,,,,,,GXINVVNDQWECJP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.356,228-991-7,6387-17-3,"5-chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid","3-chloro-5-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=O)C1)c2c(C)cc(cc2Cl)S(=O)(=O)O,CC1=NN(C(=O)C1)c2c(C)cc(cc2Cl)S(=O)(=O)O,"InChI=1/C11H11ClN2O4S/c1-6-3-8(19(16,17)18)5-9(12)11(6)14-10(15)4-7(2)13-14/h3,5H,4H2,1-2H3,(H,16,17,18)",C11H11ClN2O4S,,,,,,QENFKLWBWWDGLL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.358,228-993-8,6387-27-5,2-amino-6-chlorotoluene-4-sulphonic acid,3-amino-5-chloro-4-methylbenzenesulfonic acid,Cc1c(N)cc(cc1Cl)S(=O)(=O)O,Cc1c(N)cc(cc1Cl)S(=O)(=O)O,"InChI=1/C7H8ClNO3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)",C7H8ClNO3S,,,,,,RSCRGMCYBCTJGF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.363,228-999-0,6391-20-4,"Tetrasodium 5,5'-[thiobis[(3-sulphonato-p-phenylene)azo]]disalicylate","tetrasodium 3,3'-{sulfanediylbis[(2-sulfonato-4,1-phenylene)diazene-2,1-diyl]}bis(6-hydroxybenzoate)",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc4ccc(Sc2cc(c(cc2)N=Nc3cc(C([O-])=O)c(O)cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc4ccc(Sc2cc(c(cc2)N=Nc3cc(C([O-])=O)c(O)cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O,"InChI=1/C26H18N4O12S3.4Na/c31-21-7-1-13(9-17(21)25(33)34)27-29-19-5-3-15(11-23(19)44(37,38)39)43-16-4-6-20(24(12-16)45(40,41)42)30-28-14-2-8-22(32)18(10-14)26(35)36;;;;/h1-12,31-32H,(H,33,34)(H,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4",C26H18N4O12S3.4Na,,,,,,SRAQQSCMMDMFKH-UHFFFAOYSA-J,,,,,,,,,,,
100.026.364,229-000-0,6391-21-5,"Disodium 1-(3-aminophenyl)-4-[[3-[[3-[[1-(3-aminophenyl)-3-carboxylato-4,5-dihydro-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate","disodium 1-(3-aminophenyl)-4-({3-[(3-{[1-(3-aminophenyl)-3-carboxylato-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoyl)amino]phenyl}diazenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate",Nc1cccc(c1)N2N=C(C(N=Nc3cccc(NC(=O)c4cccc(c4)N=NC5C(=O)N(N=C5C(=O)O[Na])c6cccc(N)c6)c3)C2=O)C(=O)O[Na],Nc1cccc(c1)N2N=C(C(N=Nc3cccc(NC(=O)c4cccc(c4)N=NC5C(=O)N(N=C5C(=O)O[Na])c6cccc(N)c6)c3)C2=O)C(=O)O[Na],"InChI=1/C33H25N11O7.2Na/c34-18-6-2-11-23(14-18)43-30(46)25(27(41-43)32(48)49)39-37-21-9-1-5-17(13-21)29(45)36-20-8-4-10-22(16-20)38-40-26-28(33(50)51)42-44(31(26)47)24-12-3-7-19(35)15-24;;/h1-16,25-26H,34-35H2,(H,36,45)(H,48,49)(H,50,51);;/q;2*+1/p-2",C33H25N11O7.2Na,,,,,,IXTYODUPZPZKHN-UHFFFAOYSA-L,,,,,,,,,,,
100.026.370,229-006-3,6396-90-3,"2-(3-hydroxy-2(1H)-quinolylidene)-1,3-dioxoindan-5-carboxylic acid","2-(3-hydroxyquinolin-2(1H)-ylidene)-1,3-dioxoindane-5-carboxylic acid",OC(=O)c3ccc4C(=O)C(=C1Nc2ccccc2\\C=C1\\O)C(=O)c4c3,OC(=O)c3ccc4C(=O)C(=C1Nc2ccccc2\C=C1\O)C(=O)c4c3,"InChI=1/C19H11NO5/c21-14-8-9-3-1-2-4-13(9)20-16(14)15-17(22)11-6-5-10(19(24)25)7-12(11)18(15)23/h1-8,20-21H,(H,24,25)",C19H11NO5,,,,,,KJLDFXSDPYFIHO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.372,229-008-4,6397-02-0,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulphonate","sodium 1-amino-4-(mesitylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1,[Na+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1,"InChI=1/C23H20N2O5S.Na/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27;/h4-10,25H,24H2,1-3H3,(H,28,29,30);/q;+1/p-1",C23H20N2O5S.Na,,,,,,RRETZLLHOMHNNB-UHFFFAOYSA-M,,,,,,,,,,,
100.028.004,230-804-9,7327-60-8,Nitrilotriacetonitrile,"2,2',2''-nitrilotriacetonitrile",N#CCN(CC#N)CC#N,N#CCN(CC#N)CC#N,InChI=1/C6H6N4/c7-1-4-10(5-2-8)6-3-9/h4-6H2,C6H6N4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12813,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.004,LJAIDEYQVIJERM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.008,230-809-6,7327-99-3,Methyl 4-oxo-2-butenoate,methyl 4-oxobut-2-enoate,O=CC=CC(=O)OC,O=CC=CC(=O)OC,"InChI=1/C5H6O3/c1-8-5(7)3-2-4-6/h2-4H,1H3",C5H6O3,,,,,,CRBJVPSOOMDSPT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.014,230-815-9,7328-33-8,"Methyl (2E,4E)-2,4-decadienoate","methyl deca-2,4-dienoate",CCCCC\\C=C\\C=C\\C(=O)OC,CCCCC\C=C\C=C\C(=O)OC,"InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3",C11H18O2,,,,,,SFHSEXGIVSBRRK-XBLVEGMJSA-N,,,,,,,,,,,
100.028.017,230-819-0,7328-91-8,"2,2-dimethylpropane-1,3-diamine","2,2-dimethylpropane-1,3-diamine",CC(C)(CN)CN,CC(C)(CN)CN,"InChI=1/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3",C5H14N2,,,,,,DDHUNHGZUHZNKB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.021,230-823-2,7330-31-6,Dimethyl pentasulphide,dimethylpentasulfane,CSSSSSC,CSSSSSC,InChI=1/C2H6S5/c1-3-5-7-6-4-2/h1-2H3,C2H6S5,,,,,,HFHOSCCMQJJVKR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.841,228-424-3,6264-59-1,"4,4'-methylenebis[N-furfurylideneaniline]","4,4'-methylenebis[N-(2-furylmethylene)aniline]",c3cc(Cc2ccc(N=Cc1ccco1)cc2)ccc3N=Cc4ccco4,c3cc(Cc2ccc(N=Cc1ccco1)cc2)ccc3N=Cc4ccco4,"InChI=1/C23H18N2O2/c1-3-22(26-13-1)16-24-20-9-5-18(6-10-20)15-19-7-11-21(12-8-19)25-17-23-4-2-14-27-23/h1-14,16-17H,15H2",C23H18N2O2,,,,,,MAKABEVBNIJHPX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.843,228-426-4,6264-67-1,"4-fluorobenzene-1,3-diamine","4-fluorobenzene-1,3-diamine",Nc1ccc(F)c(N)c1,Nc1ccc(F)c(N)c1,"InChI=1/C6H7FN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2",C6H7FN2,,,,,,QNDFYLBDUWCFJO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.848,228-432-7,6265-74-3,N-(2-hydroxyethyl)isonicotinamide,N-(2-hydroxyethyl)isonicotinamide,OCCNC(=O)c1ccncc1,OCCNC(=O)c1ccncc1,"InChI=1/C8H10N2O2/c11-6-5-10-8(12)7-1-3-9-4-2-7/h1-4,11H,5-6H2,(H,10,12)",C8H10N2O2,,,,,,QVPWDPDVDVVXIB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.197,228-816-4,6359-96-2,"Sodium 3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxy-5-nitrobenzenesulphonate","sodium 3-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-hydroxy-5-nitrobenzenesulfonate",[Na+].[O-][N+](=O)c3cc(N=NC2C(\\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)c(c3)S([O-])(=O)=O,[Na+].[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)c(c3)S([O-])(=O)=O,"InChI=1/C16H12ClN5O7S.Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(22(25)26)7-13(15(12)23)30(27,28)29;/h2-7,14,23H,1H3,(H,27,28,29);/q;+1/p-1",C16H12ClN5O7S.Na,,,,,,HDNIIDKHCASDLF-UHFFFAOYSA-M,,,,,,,,,,,
100.026.200,228-820-6,6359-99-5,"Sodium 4-[4-[[3-(anilinosulphonyl)-p-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate","sodium 2,5-dichloro-4-(3-methyl-4-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O,[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O,"InChI=1/C23H19Cl2N5O6S2.Na/c1-13-8-9-16(10-20(13)37(32,33)29-15-6-4-3-5-7-15)26-27-22-14(2)28-30(23(22)31)19-11-18(25)21(12-17(19)24)38(34,35)36;/h3-12,22,29H,1-2H3,(H,34,35,36);/q;+1/p-1",C23H19Cl2N5O6S2.Na,,,,,,HKTOCEMTZDAQKB-UHFFFAOYSA-M,,,,,,,,,,,
100.026.205,228-825-3,9/12/6360,Trisodium 5-[[2-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo]-4-sulphonatophenyl]sulphonyl]salicylate,trisodium 5-({2-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]-4-sulfonatophenyl}sulfonyl)-2-hydroxybenzoate,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)S(=O)(=O)c4ccc(cc4N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)S(=O)(=O)c4ccc(cc4N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C23H17N3O12S3.3Na/c24-16-4-1-11-7-14(41(36,37)38)10-19(28)21(11)22(16)26-25-17-9-13(40(33,34)35)3-6-20(17)39(31,32)12-2-5-18(27)15(8-12)23(29)30;;;/h1-10,27-28H,24H2,(H,29,30)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",C23H17N3O12S3.3Na,,,,,,QQXOFMKTSCHZFL-UHFFFAOYSA-K,,,,,,,,,,,
100.026.217,228-838-4,6361-49-5,"4-(benzoylamino)-5-hydroxynaphthalene-1,7-disulphonic acid","4-(benzoylamino)-5-hydroxynaphthalene-1,7-disulfonic acid",Oc1cc(cc2c(ccc(NC(=O)c3ccccc3)c12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2c(ccc(NC(=O)c3ccccc3)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H13NO8S2/c19-14-9-11(27(21,22)23)8-12-15(28(24,25)26)7-6-13(16(12)14)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26)",C17H13NO8S2,,,,,,BUVOCOQOYNGMCO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.224,228-846-8,6362-80-7,"1,1'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bisbenzene","1,1'-(4-methylpent-1-ene-2,4-diyl)dibenzene",CC(C)(CC(=C)c1ccccc1)c2ccccc2,CC(C)(CC(=C)c1ccccc1)c2ccccc2,"InChI=1/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3",C18H20,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12609,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.224,ZOKCNEIWFQCSCM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.225,228-847-3,6362-86-3,"2-chloro-4-methyl-1,3,2-dioxaphospholane","2-chloro-4-methyl-1,3,2-dioxaphospholane",CC1COP(Cl)O1,CC1COP(Cl)O1,"InChI=1/C3H6ClO2P/c1-3-2-5-7(4)6-3/h3H,2H2,1H3",C3H6ClO2P,,,,,,CJOGVHAUJHBLPB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.226,228-848-9,6363-60-6,(9S)-6'-methoxycinchonan-9-ol monohydrobromide,6'-methoxycinchonan-9-ol hydrobromide,Br.COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,Br.COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H",C20H24N2O2.BrH,,,,,,HDZGBIRSORQVNB-VJAUXQICSA-N,,,,,,,,,,,
100.026.227,228-849-4,6364-00-7,N-(4-ethoxyphenyl)naphthalen-1-amine,N-(4-ethoxyphenyl)naphthalen-1-amine,CCOc1ccc(Nc2cccc3ccccc23)cc1,CCOc1ccc(Nc2cccc3ccccc23)cc1,"InChI=1/C18H17NO/c1-2-20-16-12-10-15(11-13-16)19-18-9-5-7-14-6-3-4-8-17(14)18/h3-13,19H,2H2,1H3",C18H17NO,,,,,,FMRXMCKJBASAKX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.229,228-852-0,6364-19-8,"3,9-perylenedicarboxylic acid","perylene-3,9-dicarboxylic acid",OC(=O)c1ccc2c3cccc4c(ccc(c5cccc1c25)c34)C(=O)O,OC(=O)c1ccc2c3cccc4c(ccc(c5cccc1c25)c34)C(=O)O,"InChI=1/C22H12O4/c23-21(24)17-9-8-16-12-4-2-6-14-18(22(25)26)10-7-15(20(12)14)11-3-1-5-13(17)19(11)16/h1-10H,(H,23,24)(H,25,26)",C22H12O4,,,,,,SDPOODQJUWAHOW-UHFFFAOYSA-N,,,,,,,,,,,
100.008.159,208-974-0,549-64-4,"(8a,9R)-9-hydroxy-6'-methoxycinchonanium cinnamate",6'-methoxycinchonan-1-ium-9-ol 3-phenylacrylate,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-]C(=O)\\C=C\\c5ccccc5,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-]C(=O)\C=C\c5ccccc5,"InChI=1/C20H24N2O2.C9H8O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;10-9(11)7-6-8-4-2-1-3-5-8/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-7H,(H,10,11)",C20H24N2O2.C9H8O2,,,,,,YMRKKGLHSINGMI-FFXBBCMNSA-N,,,,,,,,,,,
100.008.162,208-977-7,549-84-8,"Methyl (16a,17ß)-17-hydroxyyohimban-16-carboxylate",methyl 17-hydroxyyohimban-16-carboxylate,COC(=O)[C@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,COC(=O)[C@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3",C21H26N2O3,,,,,,BLGXFZZNTVWLAY-MQPLHJKPSA-N,,,,,,,,,,,
100.008.165,208-980-3,550-28-7,Amisometradine,"6-amino-3-methyl-1-(2-methylprop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione",CN1C(=O)C=C(N)N(CC(=C)C)C1=O,CN1C(=O)C=C(N)N(CC(=C)C)C1=O,"InChI=1/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3",C9H13N3O2,,,,,,FXNYSZHYMGWWEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.188,209-005-4,552-21-6,"3,3',4,4',5,5'-hexahydroxy-2,2'-methylenedi(benzoic acid)","2,2'-methylenebis(3,4,5-trihydroxybenzoic acid)",OC(=O)c1cc(O)c(O)c(O)c1Cc2c(O)c(O)c(O)cc2C(=O)O,OC(=O)c1cc(O)c(O)c(O)c1Cc2c(O)c(O)c(O)cc2C(=O)O,"InChI=1/C15H12O10/c16-8-2-6(14(22)23)4(10(18)12(8)20)1-5-7(15(24)25)3-9(17)13(21)11(5)19/h2-3,16-21H,1H2,(H,22,23)(H,24,25)",C15H12O10,,,,,,HEFYRPDDQCAYRU-UHFFFAOYSA-N,,,,,,,,,,,
100.008.191,209-009-6,552-32-9,2'-nitroacetanilide,N-(2-nitrophenyl)acetamide,CC(=O)Nc1ccccc1[N+](=O)[O-],CC(=O)Nc1ccccc1[N+](=O)[O-],"InChI=1/C8H8N2O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13/h2-5H,1H3,(H,9,11)",C8H8N2O3,,,,,,BUNFNRVLMKHKIT-UHFFFAOYSA-N,,,,,,,,,,,
100.008.202,209-021-1,552-70-5,9-methyl-9-azabicyclo[3.3.1]nonan-3-one,9-methyl-9-azabicyclo[3.3.1]nonan-3-one,CN1C2CCCC1CC(=O)C2,CN1C2CCCC1CC(=O)C2,"InChI=1/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3",C9H15NO,,,,,,RHWSKVCZXBAWLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.209,209-029-5,552-98-7,Lithium O-acetylsalicylate,lithium 2-acetoxybenzoate,[Li+].O=C(C)Oc1ccccc1C([O-])=O,[Li+].O=C(C)Oc1ccccc1C([O-])=O,"InChI=1/C9H8O4.Li/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2-5H,1H3,(H,11,12);/q;+1/p-1",C9H8O4.Li,,,,,,FGLLQDSAOUJRST-UHFFFAOYSA-M,,,,,,,,,,,
100.006.521,207-171-2,446-52-6,2-fluorobenzaldehyde,2-fluorobenzaldehyde,Fc1ccccc1C=O,Fc1ccccc1C=O,InChI=1/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H,C7H5FO,,,,,,ZWDVQMVZZYIAHO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.527,207-178-0,447-03-0,2-(4-fluorophenyl)-3-oxobutyronitrile,2-(4-fluorophenyl)-3-oxobutanenitrile,CC(=O)C(C#N)c1ccc(F)cc1,CC(=O)C(C#N)c1ccc(F)cc1,"InChI=1/C10H8FNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3",C10H8FNO,,,,,,BASLPLDKFVWJLO-UHFFFAOYSA-N,,,,,,,,,,,
100.006.529,207-180-1,447-14-3,(trifluorovinyl)benzene,(trifluorovinyl)benzene,FC(=C(F)c1ccccc1)F,FC(=C(F)c1ccccc1)F,InChI=1/C8H5F3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,C8H5F3,,,,,,SUTQSIHGGHVXFK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.532,207-183-8,447-53-0,"1,2-dihydronaphthalene","1,2-dihydronaphthalene",C1Cc2ccccc2C=C1,C1Cc2ccccc2C=C1,"InChI=1/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2",C10H10,,,,,,KEIFWROAQVVDBN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.535,207-186-4,448-61-3,"2,4,6-triphenylpyrylium tetrafluoroborate","2,4,6-triphenylpyrylium tetrafluoroborate",F[B-](F)(F)F.c1ccc(cc1)c2cc([o+]c(c2)c3ccccc3)c4ccccc4,F[B-](F)(F)F.c1ccc(cc1)c2cc([o+]c(c2)c3ccccc3)c4ccccc4,"InChI=1/C23H17O.BF4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;/q+1;-1",C23H17O.BF4,,,,,,VQYPWMWEJGDSTF-UHFFFAOYSA-N,,,,,,,,,,,
100.006.539,207-191-1,451-02-5,Ethyl 3-fluorobenzoate,ethyl 3-fluorobenzoate,CCOC(=O)c1cccc(F)c1,CCOC(=O)c1cccc(F)c1,"InChI=1/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",C9H9FO2,,,,,,SMMIKBXLEWTSJD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.542,207-194-8,451-46-7,Ethyl 4-fluorobenzoate,ethyl 4-fluorobenzoate,CCOC(=O)c1ccc(F)cc1,CCOC(=O)c1ccc(F)cc1,"InChI=1/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",C9H9FO2,,,,,,UMPRJGKLMUDRHL-UHFFFAOYSA-N,,,,,,,,,,,
100.006.548,207-201-4,452-62-0,3-bromo-4-fluorotoluene,2-bromo-1-fluoro-4-methylbenzene,Cc1ccc(F)c(Br)c1,Cc1ccc(F)c(Br)c1,"InChI=1/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3",C7H6BrF,,,,,,QLRKALMVPCQTMU-UHFFFAOYSA-N,,,,,,,,,,,
100.006.552,207-206-1,452-68-6,2-fluoro-5-iodotoluene,1-fluoro-4-iodo-2-methylbenzene,Cc1cc(I)ccc1F,Cc1cc(I)ccc1F,"InChI=1/C7H6FI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3",C7H6FI,,,,,,DYQIYXDSKUUZRI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.553,207-207-7,452-69-7,4-fluoro-m-toluidine,4-fluoro-3-methylaniline,Cc1cc(N)ccc1F,Cc1cc(N)ccc1F,"InChI=1/C7H8FN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3",C7H8FN,,,,,,NYMDPDNETOLVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.029.097,232-007-1,7783-54-2,Nitrogen trifluoride,trifluoroamine,FN(F)F,FN(F)F,InChI=1/F3N/c1-4(2)3,F3N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10070,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.097,GVGCUCJTUSOZKP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.099,232-009-2,7783-56-4,Antimony trifluoride,antimony(3+) trifluoride,[F-].[F-].[F-].[SbH3+3],[F-].[F-].[F-].[SbH3+3],InChI=1/3FH.Sb.3H/h3*1H;;;;/q;;;+3;;;/p-3/r3FH.H3Sb/h3*1H;1H3/q;;;+3/p-3,F3Sb,,,,,,DXGOPXIOTQCFKV-UHFFFAOYSA-K,,,,,,,,,,,
100.029.100,232-010-8,7783-57-5,Thallium trifluoride,thallium trifluoride,[F-].[F-].[F-].[Tl+].[Tl+].[Tl+],[F-].[F-].[F-].[Tl+].[Tl+].[Tl+],InChI=1/3FH.3Tl/h3*1H;;;/q;;;3*+1/p-3,F3Tl,,,,,,IZCNNUVQKMWGEI-UHFFFAOYSA-K,,,,,,,,,,,
100.029.111,232-022-3,7783-71-3,Tantalum pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[Ta+2],[F-].[F-].[F-].[F-].[F-].[Ta+2],InChI=1/5FH.Ta/h5*1H;/q;;;;;+2/p-5,F5Ta,,,,,,JMABPPKNKWNTRD-UHFFFAOYSA-I,,,,,,,,,,,
100.029.112,232-023-9,7783-72-4,Vanadium pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[V+2],[F-].[F-].[F-].[F-].[F-].[V+2],InChI=1/5FH.V/h5*1H;/q;;;;;+2/p-5,F5V,,,,,,SKKVHBQNUXPREF-UHFFFAOYSA-I,,,,,,,,,,,
100.029.113,232-024-4,7783-75-7,Iridium hexafluoride,iridium hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[Ir+3].[Ir+3],[F-].[F-].[F-].[F-].[F-].[F-].[Ir+3].[Ir+3],InChI=1/6FH.2Ir/h6*1H;;/q;;;;;;2*+3/p-6,F6Ir,,,,,,BHEIZFACSILDJI-UHFFFAOYSA-H,,,,,,,,,,,
100.029.119,232-031-2,7783-86-0,Iron diiodide,iron(2+) diiodide,I[Fe]I,I[Fe]I,InChI=1/Fe.2HI/h;2*1H/q+2;;/p-2,FeI2,,,,,,BQZGVMWPHXIKEQ-UHFFFAOYSA-L,,,,,,,,,,,
100.029.120,232-032-8,7783-89-3,Silver bromate,silver(1+) bromate,[Ag+].[O-]Br(=O)=O,[Ag+].[O-]Br(=O)=O,"InChI=1/Ag.BrHO3/c;2-1(3)4/h;(H,2,3,4)/q+1;/p-1",Ag.BrHO3,,,,,,XQLMNMQWVCXIKR-UHFFFAOYSA-M,,,,,,,,,,,
100.023.879,226-267-5,5337-93-9,p-methylpropiophenone,1-(4-methylphenyl)propan-1-one,CCC(=O)c1ccc(C)cc1,CCC(=O)c1ccc(C)cc1,"InChI=1/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",C10H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17404,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.879,PATYHUUYADUHQS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.883,226-271-7,5339-26-4,4-nitrophenethyl bromide,1-(2-bromoethyl)-4-nitrobenzene,[O-][N+](=O)c1ccc(CCBr)cc1,[O-][N+](=O)c1ccc(CCBr)cc1,"InChI=1/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2",C8H8BrNO2,,,,,,NTURQZFFJDCTMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.887,226-275-9,5339-85-5,o-aminophenethyl alcohol,2-(2-aminophenyl)ethanol,Nc1ccccc1CCO,Nc1ccccc1CCO,"InChI=1/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2",C8H11NO,,,,,,ILDXSRFKXABMHH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.888,226-276-4,5340-36-3,3-methyloctan-3-ol,3-methyloctan-3-ol,CCCCCC(C)(O)CC,CCCCCC(C)(O)CC,"InChI=1/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3",C9H20O,,,,,,JEWXYDDSLPIBBO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.526,230-278-0,7004-98-0,Epimestrol,"3-methoxyestra-1(10),2,4-triene-16,17-diol",COc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12)c4cc3,COc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12)c4cc3,"InChI=1/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3",C19H26O3,,,,,,UHQGCIIQUZBJAE-RRQVMCLOSA-N,,,,,,,,,,,
100.027.529,230-281-7,7005-72-3,1-chloro-4-phenoxybenzene,1-chloro-4-phenoxybenzene,Clc1ccc(Oc2ccccc2)cc1,Clc1ccc(Oc2ccccc2)cc1,InChI=1/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,C12H9ClO,,,,,,PGPNJCAMHOJTEF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.555,230-310-3,7030-60-6,"N,N'-ethylenedi-m-toluidine","N,N'-bis(3-methylphenyl)ethane-1,2-diamine",Cc1cccc(NCCNc2cccc(C)c2)c1,Cc1cccc(NCCNc2cccc(C)c2)c1,"InChI=1/C16H20N2/c1-13-5-3-7-15(11-13)17-9-10-18-16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3",C16H20N2,,,,,,WXEZZUDLDARSKV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.558,230-314-5,2/03/7035,(2-methoxyphenyl)acetonitrile,(2-methoxyphenyl)acetonitrile,COc1ccccc1CC#N,COc1ccccc1CC#N,"InChI=1/C9H9NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6H2,1H3",C9H9NO,,,,,,DWJKILXTMUGXOU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.287,226-716-5,5457-44-3,Dimethyl 3-oxoadipate,dimethyl 3-oxohexanedioate,COC(=O)CCC(=O)CC(=O)OC,COC(=O)CCC(=O)CC(=O)OC,"InChI=1/C8H12O5/c1-12-7(10)4-3-6(9)5-8(11)13-2/h3-5H2,1-2H3",C8H12O5,,,,,,CMGTZMRSJJKAPM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.295,226-724-9,1/04/5459,Ethylene diacetoacetate,"ethane-1,2-diyl bis(3-oxobutanoate)",CC(=O)CC(=O)OCCOC(=O)CC(=O)C,CC(=O)CC(=O)OCCOC(=O)CC(=O)C,"InChI=1/C10H14O6/c1-7(11)5-9(13)15-3-4-16-10(14)6-8(2)12/h3-6H2,1-2H3",C10H14O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10689,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.295,SJCUPJATWUWGAV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.297,226-727-5,5459-37-0,Heptyl methacrylate,heptyl methacrylate,CCCCCCCOC(=O)C(=C)C,CCCCCCCOC(=O)C(=C)C,"InChI=1/C11H20O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h2,4-9H2,1,3H3",C11H20O2,,,,,,MDNFYIAABKQDML-UHFFFAOYSA-N,,,,,,,,,,,
100.024.304,226-734-3,5459-95-0,"N,N-diethyl-N'-methylpropane-1,3-diamine","N,N-diethyl-N'-methylpropane-1,3-diamine",CCN(CC)CCCNC,CCN(CC)CCCNC,"InChI=1/C8H20N2/c1-4-10(5-2)8-6-7-9-3/h9H,4-8H2,1-3H3",C8H20N2,,,,,,SMJVVYQWUFKTKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.987,232-999-6,10004-39-4,"4-[5-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-oxazol-2-yl]-N,N-dipropyl-aniline","4-{5-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl}-N,N-dipropylaniline",CCCN(CCC)c1ccc(cc1)c2oc(c3ccccc3Cl)c(n2)c4ccc(cc4)N(C)C,CCCN(CCC)c1ccc(cc1)c2oc(c3ccccc3Cl)c(n2)c4ccc(cc4)N(C)C,"InChI=1/C29H32ClN3O/c1-5-19-33(20-6-2)24-17-13-22(14-18-24)29-31-27(21-11-15-23(16-12-21)32(3)4)28(34-29)25-9-7-8-10-26(25)30/h7-18H,5-6,19-20H2,1-4H3",C29H32ClN3O,,,,,,CXUCBMXRZGCJIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.988,233-000-6,10004-44-1,3-hydroxy-5-methylisoxazole,5-methylisoxazol-3-ol,Cc1onc(O)c1,Cc1onc(O)c1,"InChI=1/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)",C4H5NO2,,,,,,KGVPNLBXJKTABS-UHFFFAOYSA-N,,,,,,,,,,,
100.029.992,233-004-8,10008-73-8,Dihydro-5-methylenefuran-2(3H)-one,5-methylenedihydrofuran-2(3H)-one,C=C1CCC(=O)O1,C=C1CCC(=O)O1,InChI=1/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2,C5H6O2,,,,,,SIFBVNDLLGPEKT-UHFFFAOYSA-N,,,,,,,,,,,
100.029.995,233-007-4,10016-20-3,Cyclohexapentylose,"5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name)",OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]1[C@H](O)[C@H]2O,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]1[C@H](O)[C@H]2O,"InChI=1/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2",C36H60O30,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10199,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.995,HFHDHCJBZVLPGP-RWMJIURBSA-N,,,,,,,,,,,
100.029.996,233-009-5,10017-37-5,tert-butylamine hydrochloride,2-methylpropan-2-amine hydrochloride,Cl.CC(C)(C)N,Cl.CC(C)(C)N,"InChI=1/C4H11N.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H",C4H11N.ClH,,,,,,DLDIDQIZPBIVNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.007,226-408-0,5395-50-6,"Tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,4,6-tetrakis(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",OCN1C2C(N(CO)C(=O)N2CO)N(CO)C1=O,OCN1C2C(N(CO)C(=O)N2CO)N(CO)C1=O,"InChI=1/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2",C8H14N4O6,,,,,,UUGLSEIATNSHRI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.019,226-421-1,5397-34-2,o-[(4-hydroxyphenyl)sulphonyl]phenol,2-[(4-hydroxyphenyl)sulfonyl]phenol,Oc1ccc(cc1)S(=O)(=O)c2ccccc2O,Oc1ccc(cc1)S(=O)(=O)c2ccccc2O,"InChI=1/C12H10O4S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8,13-14H",C12H10O4S,,,,,,LROZSPADHSXFJA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.021,226-423-2,5397-71-7,"5-amino-2,4-dichlorophenoxyacetic acid","(5-amino-2,4-dichlorophenoxy)acetic acid",Nc1cc(OCC(=O)O)c(Cl)cc1Cl,Nc1cc(OCC(=O)O)c(Cl)cc1Cl,"InChI=1/C8H7Cl2NO3/c9-4-1-5(10)7(2-6(4)11)14-3-8(12)13/h1-2H,3,11H2,(H,12,13)",C8H7Cl2NO3,,,,,,VMNPETQUBQUXAP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.027,226-430-0,5398-29-8,3-(amidinothio)propionic acid,3-(carbamimidoylsulfanyl)propanoic acid,NC(=N)SCCC(=O)O,NC(=N)SCCC(=O)O,"InChI=1/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)",C4H8N2O2S,,,,,,ICCLGNPZARKJKF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.390,215-829-5,1422-07-7,Codeine hydrochloride,"3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol hydrochloride",Cl.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,Cl.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H",C18H21NO3.ClH,,,,,,NUXLENPAZQNFAM-FFHNEAJVSA-N,,,,,,,,,,,
100.014.391,215-830-0,1422-53-3,2-bromo-4-fluorotoluene,2-bromo-4-fluoro-1-methylbenzene,Cc1ccc(F)cc1Br,Cc1ccc(F)cc1Br,"InChI=1/C7H6BrF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3",C7H6BrF,,,,,,SFGFOJPGCOYQJK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.393,215-832-1,1423-13-8,Pentafluoronitrosobenzene,"1,2,3,4,5-pentafluoro-6-nitrosobenzene",Fc1c(F)c(F)c(N=O)c(F)c1F,Fc1c(F)c(F)c(N=O)c(F)c1F,InChI=1/C6F5NO/c7-1-2(8)4(10)6(12-13)5(11)3(1)9,C6F5NO,,,,,,OJBLDDIHYSPHIV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.394,215-833-7,1423-46-7,"2,4,6-trimethylcyclohex-3-enecarbaldehyde","2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde",CC1CC(=CC(C)C1C=O)C,CC1CC(=CC(C)C1C=O)C,"InChI=1/C10H16O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,6,8-10H,5H2,1-3H3",C10H16O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17539,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.394,YJSUCBQWLKRPDL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.399,215-838-4,1424-22-2,Cyclohexene-1-yl acetate,cyclohex-1-en-1-yl acetate,CC(=O)OC1=CCCCC1,CC(=O)OC1=CCCCC1,"InChI=1/C8H12O2/c1-7(9)10-8-5-3-2-4-6-8/h5H,2-4,6H2,1H3",C8H12O2,,,,,,DRJNNZMCOCQJGI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.409,215-849-4,1429-30-7,"2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride","2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium chloride",[Cl-].COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3cc2O,[Cl-].COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3cc2O,"InChI=1/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H",C16H13O7.Cl,,,,,,CDHVFLGYVBPCNU-UHFFFAOYSA-M,,,,,,,,,,,
100.029.041,231-945-9,7779-94-4,"8,8-diethoxy-2,6-dimethyloctan-2-ol","8,8-diethoxy-2,6-dimethyloctan-2-ol",CCOC(CC(C)CCCC(C)(C)O)OCC,CCOC(CC(C)CCCC(C)(C)O)OCC,"InChI=1/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3",C14H30O3,,,,,,XOJDKWNFMFCXNE-UHFFFAOYSA-N,,,,,,,,,,,
100.029.046,231-951-1,7781-98-8,Ethyl 3-hydroxybenzoate,ethyl 3-hydroxybenzoate,CCOC(=O)c1cccc(O)c1,CCOC(=O)c1cccc(O)c1,"InChI=1/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3",C9H10O3,,,,,,MWSMNBYIEBRXAL-UHFFFAOYSA-N,,,,,,,,,,,
100.029.052,231-957-4,7782-49-2,Selenium,-,[SeH2],[SeH2],InChI=1/H2Se/h1H2,Se,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15204,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.052,SPVXKVOXSXTJOY-UHFFFAOYSA-N,,,,,,,,,,,
100.029.057,231-963-7,7782-77-6,Nitrosyl hydroxide,oxoazane oxide,O=N=O,O=N=O,InChI=1/NO2/c2-1-3,HNO2,,,,,,JCXJVPUVTGWSNB-UHFFFAOYSA-N,,,,,,,,,,,
100.029.059,231-965-8,7782-79-8,Hydrogen azide,azide,[N-]=[N+]=[N-],[N-]=[N+]=[N-],InChI=1/N3/c1-3-2/q-1,HN3,,,,,,IVRMZWNICZWHMI-UHFFFAOYSA-N,,,,,,,,,,,
100.029.069,231-976-8,3/05/7783,Disulphuric acid,disulfuric acid,OS(=O)(=O)OS(=O)(=O)O,OS(=O)(=O)OS(=O)(=O)O,"InChI=1/H2O7S2/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)",H2O7S2,,,,,,VFNGKCDDZUSWLR-UHFFFAOYSA-N,,,,,,,,,,,
100.029.070,231-977-3,4/06/7783,Hydrogen sulphide,-,S,S,InChI=1/H2S/h1H2,H2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14463,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.070,RWSOTUBLDIXVET-UHFFFAOYSA-N,,,,,,,,,,,
100.029.081,231-989-9,7783-32-6,Mercury diiodate,mercury diiodate,[Hg+2].[O-]I(=O)=O.[O-]I(=O)=O,[Hg+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Hg.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",HIO3.1/2Hg,,,,,,PHSDLNFDWGMWRK-UHFFFAOYSA-L,,,,,,,,,,,
100.029.082,231-990-4,7783-33-7,Dipotassium tetraiodomercurate,dipotassium tetraiodomercurate(2-),[K+].[K+].I[Hg-2](I)(I)I,[K+].[K+].I[Hg-2](I)(I)I,"InChI=1/Hg.4HI.2K/h;4*1H;;/q+2;;;;;2*+1/p-4/rHgI4.2K/c2-1(3,4)5;;/q-2;2*+1",HgI4.2K,,,,,,OPCMAZHMYZRPID-UHFFFAOYSA-J,,,,,,,,,,,
100.029.084,231-993-0,7783-36-0,Dimercury sulphate,dimercury sulphate,[Hg+].[Hg+].[O-]S(=O)(=O)[O-],[Hg+].[Hg+].[O-]S(=O)(=O)[O-],"InChI=1/2Hg.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+2;/p-2",H2O4S.2Hg,,,,,,MINVSWONZWKMDC-UHFFFAOYSA-L,,,,,,,,,,,
100.029.092,232-001-9,7783-49-5,Zinc fluoride,zinc difluoride,[F-].[F-].[Zn+2],[F-].[F-].[Zn+2],InChI=1/2FH.Zn/h2*1H;/q;;+2/p-2,F2Zn,,,,,,BHHYHSUAOQUXJK-UHFFFAOYSA-L,,,,,,,,,,,
100.025.849,228-433-2,6266-22-4,1-(carboxymethyl)-2-methylpyridinium chloride,1-(carboxymethyl)-2-methylpyridinium chloride,[Cl-].Cc1cccc[n+]1CC(=O)O,[Cl-].Cc1cccc[n+]1CC(=O)O,"InChI=1/C8H9NO2.ClH/c1-7-4-2-3-5-9(7)6-8(10)11;/h2-5H,6H2,1H3;1H",C8H10NO2.Cl,,,,,,GMIYDLDKNYFHIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.852,228-436-9,3/02/6267,"9,10-dihydro-9,9-dimethylacridine","9,9-dimethyl-9,10-dihydroacridine",CC1(C)c2ccccc2Nc3ccccc13,CC1(C)c2ccccc2Nc3ccccc13,"InChI=1/C15H15N/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10,16H,1-2H3",C15H15N,,,,,,JSEQNGYLWKBMJI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.853,228-437-4,6267-23-8,Nicotinaldehyde O-propyloxime,nicotinaldehyde O-propyloxime,CCCO\\N=C\\c1cccnc1,CCCO\N=C\c1cccnc1,"InChI=1/C9H12N2O/c1-2-6-12-11-8-9-4-3-5-10-7-9/h3-5,7-8H,2,6H2,1H3",C9H12N2O,,,,,,QNBOLLYOPCWBRB-DHZHZOJOSA-N,,,,,,,,,,,
100.025.856,228-441-6,9/05/6268,"4'-amino-2',5'-dimethoxybenzanilide","N-(4-amino-2,5-dimethoxyphenyl)benzamide",COc1cc(NC(=O)c2ccccc2)c(OC)cc1N,COc1cc(NC(=O)c2ccccc2)c(OC)cc1N,"InChI=1/C15H16N2O3/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H,17,18)",C15H16N2O3,,,,,,DDRCIGNRLHTTIW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.860,228-445-8,7/03/6270,Phenylethylene di(acetate),phenylethylene di(acetate),O=C([O-])C.C=Cc1ccccc1.[O-]C(C)=O,O=C([O-])C.C=Cc1ccccc1.[O-]C(C)=O,"InChI=1/C8H8.2C2H4O2/c1-2-8-6-4-3-5-7-8;2*1-2(3)4/h2-7H,1H2;2*1H3,(H,3,4)/p-2",C12H14O4,,,,,,IEQZOGVCLYQXDH-UHFFFAOYSA-L,,,,,,,,,,,
100.025.861,228-446-3,8/04/6270,"1-phenylpropane-1,3-diyl diacetate","1-phenylpropane-1,3-diyl diacetate",CC(=O)OCCC(OC(=O)C)c1ccccc1,CC(=O)OCCC(OC(=O)C)c1ccccc1,"InChI=1/C13H16O4/c1-10(14)16-9-8-13(17-11(2)15)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3",C13H16O4,,,,,,SBOBOTARPDBQPK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.862,228-447-9,6270-16-2,3-nitrobutan-2-ol,3-nitrobutan-2-ol,CC(O)C(C)[N+](=O)[O-],CC(O)C(C)[N+](=O)[O-],"InChI=1/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3",C4H9NO3,,,,,,OJVOGABFNZDOOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.863,228-448-4,6270-17-3,Ethyl 4-oxo-4-phenylbutyrate,ethyl 4-oxo-4-phenylbutanoate,CCOC(=O)CCC(=O)c1ccccc1,CCOC(=O)CCC(=O)c1ccccc1,"InChI=1/C12H14O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C12H14O3,,,,,,BRUOEHVDTAORQY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.864,228-450-5,6270-19-5,"4-(2,3-epoxypropyl)morpholine",4-(oxiran-2-ylmethyl)morpholine,C(C1CO1)N2CCOCC2,C(C1CO1)N2CCOCC2,"InChI=1/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2",C7H13NO2,,,,,,KKWQCCPQBCHJBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.558,207-212-4,452-77-7,3-fluoro-p-toluidine,3-fluoro-4-methylaniline,Cc1ccc(N)cc1F,Cc1ccc(N)cc1F,"InChI=1/C7H8FN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3",C7H8FN,,,,,,MGRHBBRSAFPBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.564,207-219-2,453-20-3,Tetrahydrofuran-3-ol,tetrahydrofuran-3-ol,OC1CCOC1,OC1CCOC1,"InChI=1/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2",C4H8O2,,,,,,XDPCNPCKDGQBAN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.568,207-223-4,454-31-9,Ethyl difluoroacetate,ethyl difluoroacetate,CCOC(=O)C(F)F,CCOC(=O)C(F)F,"InChI=1/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",C4H6F2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7247,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.568,GZKHDVAKKLTJPO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.956,210-951-5,626-51-7,3-methylglutaric acid,3-methylpentanedioic acid,CC(CC(=O)O)CC(=O)O,CC(CC(=O)O)CC(=O)O,"InChI=1/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)",C6H10O4,,,,,,XJMMNTGIMDZPMU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.961,210-956-2,626-61-9,4-chloropyridine,4-chloropyridine,Clc1ccncc1,Clc1ccncc1,InChI=1/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H,C5H4ClN,,,,,,PVMNPAUTCMBOMO-UHFFFAOYSA-N,,,,,,,,,,,
100.009.965,210-960-4,626-71-1,(±)-2-aminoadipic acid,2-aminohexanedioic acid,NC(CCCC(=O)O)C(=O)O,NC(CCCC(=O)O)C(=O)O,"InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)",C6H11NO4,,,,,,OYIFNHCXNCRBQI-UHFFFAOYSA-N,Positive,ML000901,[M+H]+,HCD50,98.0602:116.0709:144.066,MetaboLights,,,,,
100.009.971,210-967-2,626-87-9,"1,4-dibromopentane","1,4-dibromopentane",CC(Br)CCCBr,CC(Br)CCCBr,"InChI=1/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3",C5H10Br2,,,,,,CNBFRBXEGGRSPL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.973,210-969-3,626-89-1,4-methylpentan-1-ol,4-methylpentan-1-ol,CC(C)CCCO,CC(C)CCCO,"InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3",C6H14O,,,,,,PCWGTDULNUVNBN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.980,210-977-7,627-00-9,4-chlorobutyric acid,4-chlorobutanoic acid,OC(=O)CCCCl,OC(=O)CCCCl,"InChI=1/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)",C4H7ClO2,,,,,,IPLKGJHGWCVSOG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.982,210-979-8,627-04-3,(ethylthio)acetic acid,(ethylsulfanyl)acetic acid,CCSCC(=O)O,CCSCC(=O)O,"InChI=1/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)",C4H8O2S,,,,,,VJIKFWJCVWFZIN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.987,210-985-0,627-13-4,Propyl nitrate,propyl nitrate,CCCO[N+](=O)[O-],CCCO[N+](=O)[O-],"InChI=1/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3",C3H7NO3,,,,,,JNTOKFNBDFMTIV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.990,210-988-7,627-20-3,(Z)-pent-2-ene,pent-2-ene,CC\\C=C/C,CC\C=C/C,"InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",C5H10,,,,,,QMMOXUPEWRXHJS-HYXAFXHYSA-N,,,,,,,,,,,
100.009.996,210-995-5,627-32-7,3-iodopropanol,3-iodopropan-1-ol,OCCCI,OCCCI,"InChI=1/C3H7IO/c4-2-1-3-5/h5H,1-3H2",C3H7IO,,,,,,CQVWOJSAGPFDQL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.997,210-996-0,627-37-2,N-methylallylamine,N-methylprop-2-en-1-amine,CNCC=C,CNCC=C,"InChI=1/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3",C4H9N,,,,,,IOXXVNYDGIXMIP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.126,210-038-1,603-40-7,"4,4'-benzylidenedianiline","4,4'-(phenylmethylene)dianiline",Nc1ccc(cc1)C(c2ccccc2)c3ccc(N)cc3,Nc1ccc(cc1)C(c2ccccc2)c3ccc(N)cc3,"InChI=1/C19H18N2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,19H,20-21H2",C19H18N2,,,,,,XECVXFWNYNXCBN-UHFFFAOYSA-N,,,,,,,,,,,
100.009.132,210-044-4,603-50-9,Bisacodyl,"(pyridin-2-ylmethylene)di-4,1-phenylene diacetate",CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3,CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3,"InChI=1/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3",C22H19NO4,,,,,,KHOITXIGCFIULA-UHFFFAOYSA-N,,,,,,,,,,,
100.009.134,210-047-0,603-52-1,Ethyl diphenylcarbamate,ethyl diphenylcarbamate,CCOC(=O)N(c1ccccc1)c2ccccc2,CCOC(=O)N(c1ccccc1)c2ccccc2,"InChI=1/C15H15NO2/c1-2-18-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3",C15H15NO2,,,,,,HKTSLDUAGCAISP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.136,210-049-1,603-57-6,Aminophenazone salicylate,"2-hydroxybenzoic acid - 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1:1)",CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.OC(=O)c3ccccc3O,CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.OC(=O)c3ccccc3O,"InChI=1/C13H17N3O.C7H6O3/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-6-4-2-1-3-5(6)7(9)10/h5-9H,1-4H3;1-4,8H,(H,9,10)",C13H17N3O.C7H6O3,,,,,,OENATKSIWPUNNX-UHFFFAOYSA-N,,,,,,,,,,,
100.007.366,208-101-3,509-64-8,"(5a,6ß)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol","3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol",COc1ccc2C[C@@H]3[C@@H]4C=C[C@@H](O)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4C=C[C@@H](O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",C18H21NO3,,,,,,OROGSEYTTFOCAN-KEMUOJQUSA-N,,,,,,,,,,,
100.024.307,226-738-5,5460-29-7,N-3-bromopropylphthalimide,"2-(3-bromopropyl)-1H-isoindole-1,3(2H)-dione",BrCCCN1C(=O)c2ccccc2C1=O,BrCCCN1C(=O)c2ccccc2C1=O,"InChI=1/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2",C11H10BrNO2,,,,,,VKJCJJYNVIYVQR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.310,226-741-1,5460-46-8,"1,3,3-trimethylbicyclo[2.1.1]hept-2-yl formate","1,3,3-trimethylbicyclo[2.2.1]hept-2-yl formate",CC1(C)C2CCC(C)(C2)C1OC=O,CC1(C)C2CCC(C)(C2)C1OC=O,"InChI=1/C11H18O2/c1-10(2)8-4-5-11(3,6-8)9(10)13-7-12/h7-9H,4-6H2,1-3H3",C11H18O2,,,,,,UXXVYTHORUZOJA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.312,226-743-2,9/02/5461,Undecyl butyrate,undecyl butyrate,CCCCCCCCCCCOC(=O)CCC,CCCCCCCCCCCOC(=O)CCC,"InChI=1/C15H30O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h3-14H2,1-2H3",C15H30O2,,,,,,DPMDQRRFSVRUMR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.317,226-749-5,6/06/5462,3-(p-methoxyphenyl)-2-methylpropionaldehyde,3-(4-methoxyphenyl)-2-methylpropanal,COc1ccc(CC(C)C=O)cc1,COc1ccc(CC(C)C=O)cc1,"InChI=1/C11H14O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-6,8-9H,7H2,1-2H3",C11H14O2,,,,,,VLFBSPUPYFTTNF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.318,226-750-0,5462-29-3,5-chloro-2-(5-chloro-7-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-7-methylbenzo[b]thiophene-3(2H)-one,"5,5'-dichloro-7,7'-dimethyl-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",O=C3c4cc(Cl)cc(C)c4SC3=C2Sc1c(C)cc(Cl)cc1C2=O,O=C3c4cc(Cl)cc(C)c4SC3=C2Sc1c(C)cc(Cl)cc1C2=O,"InChI=1/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(21)17(23-15(7)11)18-14(22)12-6-10(20)4-8(2)16(12)24-18/h3-6H,1-2H3",C18H10Cl2O2S2,,,,,,HUGACAUYNJDGTB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.323,226-755-8,5463-82-1,2-methyldecan-3-one,2-methyldecan-3-one,CCCCCCCC(=O)C(C)C,CCCCCCCC(=O)C(C)C,"InChI=1/C11H22O/c1-4-5-6-7-8-9-11(12)10(2)3/h10H,4-9H2,1-3H3",C11H22O,,,,,,HJSFZKMTFMWEAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.326,226-758-4,5464-28-8,"1,3-dioxolan-4-ylmethanol","1,3-dioxolan-4-ylmethanol",OCC1COCO1,OCC1COCO1,"InChI=1/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2",C4H8O3,,,,,,BOHGAOWOIJMTPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.329,226-762-6,5464-78-8,1-(2-methoxyphenyl)piperazinium chloride,1-(2-methoxyphenyl)piperazin-1-ium chloride,[Cl-].COc1ccccc1[NH+]2CCNCC2,[Cl-].COc1ccccc1[NH+]2CCNCC2,"InChI=1/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H",C11H16N2O.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18848,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.329,DDMVHGULHRJOEC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.912,230-704-5,7283-44-5,Vinylidene diacetate,"ethene-1,1-diyl diacetate",CC(=O)OC(=C)OC(=O)C,CC(=O)OC(=C)OC(=O)C,"InChI=1/C6H8O4/c1-4(7)9-6(3)10-5(2)8/h3H2,1-2H3",C6H8O4,,,,,,JNBLCHLVUYMNLH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.919,230-711-3,7287-19-6,Prometryn,"N,N'-diisopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CSc1nc(NC(C)C)nc(NC(C)C)n1,CSc1nc(NC(C)C)nc(NC(C)C)n1,"InChI=1/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)",C10H19N5S,,,,,,AAEVYOVXGOFMJO-UHFFFAOYSA-N,Positive,EA013301|EA013302|EA013303|EA013304|EA013305|EA013306|EA013307|EA013308|EA013309|EA013310|EA013311|EA013312|EA013313|EA013314;UF403701|UF403702|UF403703|UF403704,[M+H]+;[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,200.0967:158.0497:242.1434|242.1437:158.049|242.1438:200.0966:158.0493|242.1434:200.0967:158.0498|158.0497:200.0965:68.0243|158.0497:68.0244:116.0278|158.0495:68.0243:116.0277|242.1436:200.0967:227.1202|242.1436:200.0965:158.0498|242.1435:200.0966:158.0496|158.0496:200.0965:68.0243|158.0497:68.0244:116.0278|158.0496:68.0244:116.0278|200.0967:158.0496:242.1435;158.0495:200.0964:242.1434|158.0494:116.0275:85.0508|200.0962:158.0495:242.1433|200.0962:158.0494:152.1183,Eawag;UFZ,,,,,
100.027.921,230-713-4,7287-40-3,Ethyl 5-hydroxy-2-methyl-3-benzofurancarboxylate,ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate,CCOC(=O)c1c(C)oc2ccc(O)cc12,CCOC(=O)c1c(C)oc2ccc(O)cc12,"InChI=1/C12H12O4/c1-3-15-12(14)11-7(2)16-10-5-4-8(13)6-9(10)11/h4-6,13H,3H2,1-2H3",C12H12O4,,,,,,KSNVFCJUBJUTPF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.922,230-715-5,7287-81-2,a-3-dimethylbenzyl alcohol,1-(3-methylphenyl)ethanol,CC(O)c1cccc(C)c1,CC(O)c1cccc(C)c1,"InChI=1/C9H12O/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8,10H,1-2H3",C9H12O,,,,,,SPNHUMWMKXWVIU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.924,230-717-6,7289-45-4,Methyl tetradecyl sulphide,1-(methylsulfanyl)tetradecane,CCCCCCCCCCCCCCSC,CCCCCCCCCCCCCCSC,"InChI=1/C15H32S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2/h3-15H2,1-2H3",C15H32S,,,,,,HMRLUJVOJIHNDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.927,230-720-2,7291-22-7,(2H5)pyridine,pyridine,c1ccncc1,c1ccncc1,InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5H,C5D5N,,,,,,JUJWROOIHBZHMG-UHFFFAOYSA-N,Positive,SM813501,[M+H]+,HCD35,80.0494:96.0443,CASMI_2016,,,,,
100.027.928,230-721-8,7292-14-0,"2,2'-(3,5,5-trimethylhexylidene)bis[4,6-dimethylphenol]","2,2'-(3,5,5-trimethylhexane-1,1-diyl)bis(4,6-dimethylphenol)",CC(CC(c1cc(C)cc(C)c1O)c2cc(C)cc(C)c2O)CC(C)(C)C,CC(CC(c1cc(C)cc(C)c1O)c2cc(C)cc(C)c2O)CC(C)(C)C,"InChI=1/C25H36O2/c1-15-9-18(4)23(26)21(11-15)20(13-17(3)14-25(6,7)8)22-12-16(2)10-19(5)24(22)27/h9-12,17,20,26-27H,13-14H2,1-8H3",C25H36O2,,,,,,RPWDFMGIRPZGTI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.946,230-741-7,7299-89-0,Bis(2-ethylbutyl) phthalate,bis(2-ethylbutyl) phthalate,CCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CC,CCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CC,"InChI=1/C20H30O4/c1-5-15(6-2)13-23-19(21)17-11-9-10-12-18(17)20(22)24-14-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3",C20H30O4,,,,,,RXUXJHZMTDAMFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.948,230-743-8,7299-99-2,"2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate)","3-[(2-ethylhexanoyl)oxy]-2,2-bis{[(2-ethylhexanoyl)oxy]methyl}propyl 2-ethylhexanoate (non-preferred name)",CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC,"InChI=1/C37H68O8/c1-9-17-21-29(13-5)33(38)42-25-37(26-43-34(39)30(14-6)22-18-10-2,27-44-35(40)31(15-7)23-19-11-3)28-45-36(41)32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3",C37H68O8,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13848,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.948,DRRMRHKHTQRWMB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.410,215-851-5,1429-50-1,"[ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonic acid","{ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonic acid)",OP(=O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)",C6H20N2O12P4,,,,,,NFDRPXJGHKJRLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.416,215-857-8,1433-11-0,(2H4)urea,urea,NC(=O)N,NC(=O)N,"InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4)",CD4N2O,,,,,,XSQUKJJJFZCRTK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.420,215-862-5,1435-55-8,Hydroquinidine,"6'-methoxy-10,11-dihydrocinchonan-9-ol",CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34,CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34,"InChI=1/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3",C20H26N2O2,,,,,,LJOQGZACKSYWCH-LHHVKLHASA-N,,,,,,,,,,,
100.014.423,215-865-1,1436-43-7,Quinoline-2-carbonitrile,quinoline-2-carbonitrile,N#Cc1ccc2ccccc2n1,N#Cc1ccc2ccccc2n1,InChI=1/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,C10H6N2,,,,,,WDXARTMCIRVMAE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.426,215-868-8,1437-91-8,4-ethylthiazolidine-2-thione,"4-ethyl-1,3-thiazolidine-2-thione",CCC1CSC(=S)N1,CCC1CSC(=S)N1,"InChI=1/C5H9NS2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)",C5H9NS2,,,,,,UBKTWHKJHPIXFH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.431,215-874-0,1438-91-1,2-[(methylthio)methyl]furan,2-[(methylsulfanyl)methyl]furan,CSCc1occc1,CSCc1occc1,"InChI=1/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3",C6H8OS,,,,,,SKSFHXVDHVKIBN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.590,228-148-3,6145-43-3,"N,N',N''-trimethylguanidine","1,2,3-trimethylguanidine",CNC(=NC)NC,CNC(=NC)NC,"InChI=1/C4H11N3/c1-5-4(6-2)7-3/h1-3H3,(H2,5,6,7)",C4H11N3,,,,,,XKFPXMVATQCVKN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.596,228-155-1,6148-34-1,"Methyl 2,5-dimethyl-3-furoate","methyl 2,5-dimethyl-3-furoate",COC(=O)c1cc(C)oc1C,COC(=O)c1cc(C)oc1C,"InChI=1/C8H10O3/c1-5-4-7(6(2)11-5)8(9)10-3/h4H,1-3H3",C8H10O3,,,,,,MNFOIGQBJZVPCS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.600,228-159-3,6149-33-3,4-(4-nitrophenoxy)aniline,4-(4-nitrophenoxy)aniline,Nc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,Nc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2",C12H10N2O3,,,,,,ASAOLTVUTGZJST-UHFFFAOYSA-N,,,,,,,,,,,
100.025.604,228-164-0,8/12/6151,"1-ethoxy-1,3-dihydro-7-hydroxy-6-methylfuro[3,4-c]pyridinium chloride","1-ethoxy-7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium chloride",[Cl-].CCOC1OCc2c[nH+]c(C)c(O)c12,[Cl-].CCOC1OCc2c[nH+]c(C)c(O)c12,"InChI=1/C10H13NO3.ClH/c1-3-13-10-8-7(5-14-10)4-11-6(2)9(8)12;/h4,10,12H,3,5H2,1-2H3;1H",C10H13NO3.ClH,,,,,,PZPZTPHFGJMVSC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.611,228-171-9,6153-44-2,"Methyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",COC(=O)C1=CC(=O)NC(=O)N1,COC(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H,1H3,(H2,7,8,9,11)",C6H6N2O4,,,,,,UUTDWTOZAWFKFW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.615,228-176-6,6155-92-6,"4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine acetate","4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline acetate",CC(=O)O.Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,CC(=O)O.Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,"InChI=1/C20H19N3.C2H4O2/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;1-2(3)4/h2-12,21H,22-23H2,1H3;1H3,(H,3,4)",C20H19N3.xC2H4O2,,,,,,WYFDOPYDFNBCCN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.617,228-178-7,3/05/6159,"1,1'-diheptyl-4,4'-bipyridinium dibromide","1,1'-diheptyl-4,4'-bipyridinium dibromide",[Br-].[Br-].CCCCCCC[n+]1ccc(cc1)c2cc[n+](CCCCCCC)cc2,[Br-].[Br-].CCCCCCC[n+]1ccc(cc1)c2cc[n+](CCCCCCC)cc2,"InChI=1/C24H38N2.2BrH/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;;/h13-16,19-22H,3-12,17-18H2,1-2H3;2*1H/q+2;;/p-2",C24H38N2.2Br,,,,,,VRXAJMCFEOESJO-UHFFFAOYSA-L,,,,,,,,,,,
100.025.619,228-180-8,6159-55-3,Vasicine,"1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol",OC1CCN2Cc3ccccc3N=C12,OC1CCN2Cc3ccccc3N=C12,"InChI=1/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2",C11H12N2O,,,,,,YIICVSCAKJMMDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.624,228-186-0,6160-80-1,4-methyl-2-oxo-2H-1-benzopyran-7-yl ß-D-glucopyranosiduronic acid,4-methyl-2-oxo-2H-chromen-7-yl beta-D-glucopyranosiduronic acid,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)ccc12,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)ccc12,"InChI=1/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)",C16H16O9,,,,,,ARQXEQLMMNGFDU-JHZZJYKESA-N,,,,,,,,,,,
100.027.253,229-978-9,6876-13-7,"(1a,2ß,5a)-2,6,6-trimethylbicyclo[3.1.1]heptane","2,6,6-trimethylbicyclo[3.1.1]heptane",C[C@H]1CC[C@H]2C[C@@H]1C2(C)C,C[C@H]1CC[C@H]2C[C@@H]1C2(C)C,"InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3",C10H18,,,,,,XOKSLPVRUOBDEW-CIUDSAMLSA-N,,,,,,,,,,,
100.025.866,228-452-6,6270-46-8,5-amino-6-methyluracil,"5-amino-6-methylpyrimidine-2,4(1H,3H)-dione",CC1=C(N)C(=O)NC(=O)N1,CC1=C(N)C(=O)NC(=O)N1,"InChI=1/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)",C5H7N3O2,,,,,,FNSSATCDUXTALE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.867,228-453-1,6270-55-9,Furfuryl isobutyrate,2-furylmethyl 2-methylpropanoate,CC(C)C(=O)OCc1occc1,CC(C)C(=O)OCc1occc1,"InChI=1/C9H12O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3",C9H12O3,,,,,,SZWUNATWHPNXKD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.871,228-457-3,6271-79-0,"3,3'-dinitro[1,1'-biphenyl]-4,4'-diamine","3,3'-dinitrobiphenyl-4,4'-diamine",Nc1ccc(cc1[N+](=O)[O-])c2ccc(N)c(c2)[N+](=O)[O-],Nc1ccc(cc1[N+](=O)[O-])c2ccc(N)c(c2)[N+](=O)[O-],"InChI=1/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2",C12H10N4O4,,,,,,OCEINMLGYDSKFW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.874,228-461-5,6272-38-4,2-benzyloxyphenol,2-(benzyloxy)phenol,Oc1ccccc1OCc2ccccc2,Oc1ccccc1OCc2ccccc2,"InChI=1/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2",C13H12O2,,,,,,CCZCXFHJMKINPE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.500,230-249-2,6985-92-8,"Methyl 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzoate","methyl 2-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]-1-naphthyl}diazenyl)benzoate",COC(=O)c5ccccc5N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2,COC(=O)c5ccccc5N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C26H19N5O5/c1-36-25(34)17-8-4-5-9-19(17)30-31-22-16-7-3-2-6-14(16)12-18(23(22)32)24(33)27-15-10-11-20-21(13-15)29-26(35)28-20/h2-13,32H,1H3,(H,27,33)(H2,28,29,35)",C26H19N5O5,,,,,,IESSXLDTYTXHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.501,230-250-8,6985-95-1,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]naphthalene-2-carboxamide","3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",[O-][N+](=O)c5ccc(N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2)c(OC)c5,[O-][N+](=O)c5ccc(N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2)c(OC)c5,"InChI=1/C25H18N6O6/c1-37-21-12-15(31(35)36)7-9-19(21)29-30-22-16-5-3-2-4-13(16)10-17(23(22)32)24(33)26-14-6-8-18-20(11-14)28-25(34)27-18/h2-12,32H,1H3,(H,26,33)(H2,27,28,34)",C25H18N6O6,,,,,,HECMZBWRWWVBJI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.506,230-256-0,3/06/6990,Fusidic acid,"2-(16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene)-6-methylhept-5-enoic acid",OC(=O)C(CC\\C=C(/C)C)=C4[C@H](C[C@@]2(C)[C@H]4C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C)OC(C)=O,OC(=O)C(CC\C=C(/C)C)=C4[C@H](C[C@@]2(C)[C@H]4C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C)OC(C)=O,"InChI=1/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)",C31H48O6,,,,,,IECPWNUMDGFDKC-WGFOVTNPSA-N,,,,,,,,,,,
100.027.507,230-257-6,6990-43-8,"Zinc O,O,O',O'-tetrabutyl bis(phosphorodithioate)","zinc bis(O,O-dibutyl dithiophosphate)",CCCCOP(=S)(OCCCC)S[Zn]SP(=S)(OCCCC)OCCCC,CCCCOP(=S)(OCCCC)S[Zn]SP(=S)(OCCCC)OCCCC,"InChI=1/2C8H19O2PS2.Zn/c2*1-3-5-7-9-11(12,13)10-8-6-4-2;/h2*3-8H2,1-2H3,(H,12,13);/q;;+2/p-2/rC16H36O4P2S4Zn/c1-5-9-13-17-21(23,18-14-10-6-2)25-27-26-22(24,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3",C8H19O2PS2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12551,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.507,MECFLMNXIXDIOF-UHFFFAOYSA-L,,,,,,,,,,,
100.027.508,230-258-1,6/11/6992,"4-[(2,5-dichlorophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide","4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",Clc5cc(N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2)c(Cl)cc5,Clc5cc(N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2)c(Cl)cc5,"InChI=1/C24H15Cl2N5O3/c25-13-5-7-17(26)19(10-13)30-31-21-15-4-2-1-3-12(15)9-16(22(21)32)23(33)27-14-6-8-18-20(11-14)29-24(34)28-18/h1-11,32H,(H,27,33)(H2,28,29,34)",C24H15Cl2N5O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10288,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.508,NAEXAHVLTQKKCY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.510,230-260-2,6992-39-8,"[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium dihydrogen phosphate","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium dihydrogen phosphate",[NH3+]C(CO)(CO)CO.[O-]P(=O)([O-])[O-],[NH3+]C(CO)(CO)CO.[O-]P(=O)([O-])[O-],"InChI=1/C4H11NO3.H3O4P/c5-4(1-6,2-7)3-8;1-5(2,3)4/h6-8H,1-3,5H2;(H3,1,2,3,4)/p-2",C4H11NO3.H3O4P,,,,,,JLEXUIVKURIPFI-UHFFFAOYSA-L,,,,,,,,,,,
100.027.519,230-270-7,6996-43-6,N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide monohydrochloride,N-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide hydrochloride,Cl.CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,Cl.CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,"InChI=1/C14H22N2O3.ClH/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17;/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17);1H",C14H22N2O3.ClH,,,,,,UEWORNJBQXFYSM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.251,226-676-9,5450-96-4,"Disodium 1,4-dihydroxybutane-1,4-disulphonate","disodium 1,4-dihydroxybutane-1,4-disulfonate",[Na+].[Na+].OC(CCC(O)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].OC(CCC(O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C4H10O8S2.2Na/c5-3(13(7,8)9)1-2-4(6)14(10,11)12;;/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2",C4H10O8S2.2Na,,,,,,SSGMHPVCXKEOSW-UHFFFAOYSA-L,,,,,,,,,,,
100.024.259,226-685-8,5451-76-3,2-butoxyethyl benzoate,2-butoxyethyl benzoate,CCCCOCCOC(=O)c1ccccc1,CCCCOCCOC(=O)c1ccccc1,"InChI=1/C13H18O3/c1-2-3-9-15-10-11-16-13(14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3",C13H18O3,,,,,,NMBQBIACXMPEQB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.374,208-110-2,510-15-6,Chlorobenzilate,ethyl bis(4-chlorophenyl)(hydroxy)acetate,CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3",C16H14Cl2O3,,,,,,RAPBNVDSDCTNRC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.375,208-111-8,510-20-3,Diethylmalonic acid,diethylmalonic acid,CCC(CC)(C(=O)O)C(=O)O,CCC(CC)(C(=O)O)C(=O)O,"InChI=1/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,LTMRRSWNXVJMBA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.376,208-112-3,510-30-5,"(3ß,16a)-3,16-dihydroxyolean-12-en-28-oic acid","3,16-dihydroxyolean-12-en-28-oic acid",CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,"InChI=1/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)",C30H48O4,,,,,,YKOPWPOFWMYZJZ-PRIAQAIDSA-N,,,,,,,,,,,
100.007.379,208-116-5,510-64-5,"19-hydroxyandrost-4-ene-3,17-dione","19-hydroxyandrost-4-ene-3,17-dione",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O,"InChI=1/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3",C19H26O3,,,,,,XGUHPTGEXRHMQQ-BGJMDTOESA-N,,,,,,,,,,,
100.007.390,208-128-0,511-45-5,Pridinol,"1,1-diphenyl-3-piperidin-1-ylpropan-1-ol",OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3,OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2",C20H25NO,,,,,,RQXCLMGKHJWMOA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.391,208-129-6,511-55-7,Xenytropium bromide,8-(biphenyl-4-ylmethyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane bromide,[Br-].C[N+]1(Cc2ccc(cc2)c3ccccc3)[C@@H]4CC[C@H]1C[C@H](C4)OC(=O)C(CO)c5ccccc5,[Br-].C[N+]1(Cc2ccc(cc2)c3ccccc3)[C@@H]4CC[C@H]1C[C@H](C4)OC(=O)C(CO)c5ccccc5,"InChI=1/C30H34NO3.BrH/c1-31(20-22-12-14-24(15-13-22)23-8-4-2-5-9-23)26-16-17-27(31)19-28(18-26)34-30(33)29(21-32)25-10-6-3-7-11-25;/h2-15,26-29,32H,16-21H2,1H3;1H/q+1;/p-1",C30H34NO3.Br,,,,,,KDXSSNBFSJKQMR-JWKFFUIZSA-M,,,,,,,,,,,
100.007.394,208-132-2,511-70-6,2-bromo-2-ethylbutyramide,2-bromo-2-ethylbutanamide,CCC(Br)(CC)C(=O)N,CCC(Br)(CC)C(=O)N,"InChI=1/C6H12BrNO/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H2,8,9)",C6H12BrNO,,,,,,ACEYAMOAGUDVAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.401,208-140-6,512-25-4,Tribarium dicitrate,tribarium dicitrate,[Ba+2].[Ba+2].[Ba+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ba+2].[Ba+2].[Ba+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Ba/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3/2Ba,,,,,,PAVWOHWZXOQYDB-UHFFFAOYSA-H,,,,,,,,,,,
100.007.403,208-142-7,512-42-5,Sodium methyl sulphate,sodium methyl sulfate,[Na+].COS(=O)(=O)[O-],[Na+].COS(=O)(=O)[O-],"InChI=1/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",CH4O4S.Na,,,,,,DZXBHDRHRFLQCJ-UHFFFAOYSA-M,,,,,,,,,,,
100.007.406,208-145-3,512-63-0,Hexaphenylcyclotrisiloxane,"2,2,4,4,6,6-hexaphenyl-1,3,5,2,4,6-trioxatrisilinane",O1[Si](O[Si](O[Si]1(c2ccccc2)c3ccccc3)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7,O1[Si](O[Si](O[Si]1(c2ccccc2)c3ccccc3)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7,"InChI=1/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",C36H30O3Si3,,,,,,VCYDUTCMKSROID-UHFFFAOYSA-N,,,,,,,,,,,
100.007.411,208-151-6,513-08-6,Tripropyl phosphate,tripropyl phosphate,CCCOP(=O)(OCCC)OCCC,CCCOP(=O)(OCCC)OCCC,"InChI=1/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3",C9H21O4P,,,,,,RXPQRKFMDQNODS-UHFFFAOYSA-N,,,,,,,,,,,
100.007.412,208-152-1,513-10-0,Ecothiopate iodide,"2-[(diethoxyphosphoryl)sulfanyl]-N,N,N-trimethylethanaminium iodide",[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C,[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C,"InChI=1/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1",C9H23NO3PS.I,,,,,,OVXQHPWHMXOFRD-UHFFFAOYSA-M,,,,,,,,,,,
100.008.212,209-032-1,553-08-2,Tonzonium bromide,"N-{2-[(4-methoxybenzyl)(pyrimidin-2-yl)amino]ethyl}-N,N-dimethylhexadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2,[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2,"InChI=1/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1",C32H55N4O.Br,,,,,,WBWDWFZTSDZAIG-UHFFFAOYSA-M,,,,,,,,,,,
100.008.213,209-033-7,553-12-8,"3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphine-2,18-diyl)di(propionic acid)","3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphine-2,18-diyl)dipropanoic acid",CC1=C(CCC(=O)O)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)C=C)C(=C4C)C=C)C(=C3CCC(=O)O)C,CC1=C(CCC(=O)O)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)C=C)C(=C4C)C=C)C(=C3CCC(=O)O)C,"InChI=1/C34H32N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)",C34H34N4O4,,,,,,ZZDQDWUZYJIYIF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.955,230-751-1,3/03/7301,Ammonium sulphanilate,ammonium 4-aminobenzenesulfonate,[NH4+].Nc1ccc(cc1)S(=O)(=O)[O-],[NH4+].Nc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H7NO3S.H3N/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);1H3",C6H7NO3S.H3N,,,,,,NEDCLUPMYCVKFO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.958,230-754-8,7305-66-0,"N,N,N,N',N'-pentamethyl-N'-octadec-9-en-1-yl-N,N'-trimethylenebisammonium dichloride","N,N,N,N',N'-pentamethyl-N'-octadec-9-en-1-ylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(C)CCC[N+](C)(C)CCCCCCCCC=CCCCCCCCC,[Cl-].[Cl-].C[N+](C)(C)CCC[N+](C)(C)CCCCCCCCC=CCCCCCCCC,"InChI=1/C26H56N2.2ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(5,6)26-23-24-27(2,3)4;;/h14-15H,7-13,16-26H2,1-6H3;2*1H/q+2;;/p-2",C26H56N2.2Cl,,,,,,XERDYBRCVFVRCH-UHFFFAOYSA-L,,,,,,,,,,,
100.023.899,226-289-5,5344-58-1,"[1R-(endo,anti)]-3-bromo-2-oxobornane-8-sulphonic acid","(3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)methanesulfonic acid",CC1(CS(=O)(=O)O)C2CCC1(C)C(=O)C2Br,CC1(CS(=O)(=O)O)C2CCC1(C)C(=O)C2Br,"InChI=1/C10H15BrO4S/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15/h6-7H,3-5H2,1-2H3,(H,13,14,15)",C10H15BrO4S,,,,,,MFEDKMBNKNOUPA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.903,226-293-7,5344-90-1,2-aminobenzyl alcohol,(2-aminophenyl)methanol,Nc1ccccc1CO,Nc1ccccc1CO,"InChI=1/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2",C7H9NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16208,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.903,VYFOAVADNIHPTR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.904,226-294-2,7/01/5345,3-ethyl-3-methylglutaric acid,3-ethyl-3-methylpentanedioic acid,CCC(C)(CC(=O)O)CC(=O)O,CCC(C)(CC(=O)O)CC(=O)O,"InChI=1/C8H14O4/c1-3-8(2,4-6(9)10)5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)",C8H14O4,,,,,,XAWFHZMTJUGGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.905,226-295-8,5345-42-6,3-methyl-2-nitroanisole,1-methoxy-3-methyl-2-nitrobenzene,COc1cccc(C)c1[N+](=O)[O-],COc1cccc(C)c1[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3",C8H9NO3,,,,,,MGBRGNWARSQECY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.906,226-296-3,5345-47-1,2-aminonicotinic acid,2-aminonicotinic acid,Nc1ncccc1C(=O)O,Nc1ncccc1C(=O)O,"InChI=1/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)",C6H6N2O2,,,,,,KPIVDNYJNOPGBE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.907,226-297-9,5345-53-9,"N,N'-(2-nitro-1,4-phenylene)bis(acetamide)","N,N'-(2-nitro-1,4-phenylene)diacetamide",CC(=O)Nc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],CC(=O)Nc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],"InChI=1/C10H11N3O4/c1-6(14)11-8-3-4-9(12-7(2)15)10(5-8)13(16)17/h3-5H,1-2H3,(H,11,14)(H,12,15)",C10H11N3O4,,,,,,WIBLBSKESAEFTC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.909,226-300-3,5345-73-3,"2,2-dichloro-N-methylacetamide","2,2-dichloro-N-methylacetamide",CNC(=O)C(Cl)Cl,CNC(=O)C(Cl)Cl,"InChI=1/C3H5Cl2NO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)",C3H5Cl2NO,,,,,,BLQDAFLFPNDCMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.911,226-302-4,5346-83-8,Calcium di-L-arabinonate,pentonic acid,OCC(O)C(O)C(O)C(=O)O,OCC(O)C(O)C(O)C(=O)O,"InChI=1/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)",C5H10O6.1/2Ca,,,,,,QXKAIJAYHKCRRA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.916,226-308-7,5348-82-3,Octadecyl chloroacetate,octadecyl chloroacetate,CCCCCCCCCCCCCCCCCCOC(=O)CCl,CCCCCCCCCCCCCCCCCCOC(=O)CCl,"InChI=1/C20H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22)19-21/h2-19H2,1H3",C20H39ClO2,,,,,,HDNSRULOUMXYKG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.921,226-313-4,5349-55-3,Allyl lactate,allyl 2-hydroxypropanoate,CC(O)C(=O)OCC=C,CC(O)C(=O)OCC=C,"InChI=1/C6H10O3/c1-3-4-9-6(8)5(2)7/h3,5,7H,1,4H2,2H3",C6H10O3,,,,,,CYFIHPJVHCCGTF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.922,226-315-5,5349-60-0,a-ethyl-p-methoxybenzyl alcohol,1-(4-methoxyphenyl)propan-1-ol,CCC(O)c1ccc(OC)cc1,CCC(O)c1ccc(OC)cc1,"InChI=1/C10H14O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10-11H,3H2,1-2H3",C10H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5489,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.922,RELLLNVFFUWXHI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.924,226-317-6,5349-63-3,2-(4-sec-butylphenoxy)ethanol,2-(4-sec-butylphenoxy)ethanol,CCC(C)c1ccc(OCCO)cc1,CCC(C)c1ccc(OCCO)cc1,"InChI=1/C12H18O2/c1-3-10(2)11-4-6-12(7-5-11)14-9-8-13/h4-7,10,13H,3,8-9H2,1-2H3",C12H18O2,,,,,,XMPKZDNQLSEWRU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.929,226-322-3,5350-93-6,5-amino-2-chloropyridine,6-chloropyridin-3-amine,Nc1ccc(Cl)nc1,Nc1ccc(Cl)nc1,"InChI=1/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2",C5H5ClN2,,,,,,QAJYCQZQLVENRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.930,226-323-9,2/04/5351,3-diethylaminopropiononitrile,3-(diethylamino)propanenitrile,CCN(CC)CCC#N,CCN(CC)CCC#N,"InChI=1/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3",C7H14N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6397,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.930,LFFKXGFSDGRFQA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.933,226-327-0,5351-51-9,"4,5-dimethylthiazole-2(3H)-thione","4,5-dimethyl-1,3-thiazole-2(3H)-thione",CC1=C(C)SC(=S)N1,CC1=C(C)SC(=S)N1,"InChI=1/C5H7NS2/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)",C5H7NS2,,,,,,KKHBRTFQIYIHEI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.259,229-985-7,6881-94-3,2-(2-propoxyethoxy)ethanol,2-(2-propoxyethoxy)ethanol,CCCOCCOCCO,CCCOCCOCCO,"InChI=1/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3",C7H16O3,,,,,,DJCYDDALXPHSHR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.124,215-535-7,1330-20-7,Xylene,m-xylene,Cc1cccc(C)c1,Cc1cccc(C)c1,"InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",C8H10,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15448,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.124,IVSZLXZYQVIEFR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.139,215-551-4,1330-85-4,(dodecylbenzyl)trimethylammonium chloride,"(2-dodecylphenyl)-N,N,N-trimethylmethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccccc1C[N+](C)(C)C,[Cl-].CCCCCCCCCCCCc1ccccc1C[N+](C)(C)C,"InChI=1/C22H40N.ClH/c1-5-6-7-8-9-10-11-12-13-14-17-21-18-15-16-19-22(21)20-23(2,3)4;/h15-16,18-19H,5-14,17,20H2,1-4H3;1H/q+1;/p-1",C22H40N.Cl,,,,,,WHBLVGVHEZCUQM-UHFFFAOYSA-M,,,,,,,,,,,
100.014.140,215-553-5,1330-86-5,Diisooctyl adipate,bis(6-methylheptyl) adipate,CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,"InChI=1/C22H42O4/c1-19(2)13-7-5-11-17-25-21(23)15-9-10-16-22(24)26-18-12-6-8-14-20(3)4/h19-20H,5-18H2,1-4H3",C22H42O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5376,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.140,CJFLBOQMPJCWLR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.145,215-558-2,1331-53-9,4-(4-aminomethoxyphenyl)methoxyaniline,4-{[4-(aminomethoxy)benzyl]oxy}aniline,NCOc1ccc(COc2ccc(N)cc2)cc1,NCOc1ccc(COc2ccc(N)cc2)cc1,"InChI=1/C14H16N2O2/c15-10-18-14-5-1-11(2-6-14)9-17-13-7-3-12(16)4-8-13/h1-8H,9-10,15-16H2",C14H16N2O2,,,,,,ARJNPAHQVKCTJV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.148,215-561-9,1331-81-3,"Anisyl alcohol (o-,m-,p-)",(4-methoxyphenyl)methanol,COc1ccc(CO)cc1,COc1ccc(CO)cc1,"InChI=1/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3",C8H10O2,,,,,,MSHFRERJPWKJFX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.803,231-683-5,7681-93-8,Natamycin,"22-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid",C[C@@H]1C\\C=C\\C=C\\C=C\\C=C\\[C@@H](C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3\\C=C\\C(=O)O1)C[C@H](O)[C@H]2C(=O)O)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O,C[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O1)C[C@H](O)[C@H]2C(=O)O)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O,"InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)",C33H47NO13,,,,,,NCXMLFZGDNKEPB-FFPOYIOWSA-N,,,,,,,,,,,
100.028.806,231-686-1,7682-61-3,4-fluoro-5-hydroxynorvaline,4-fluoro-5-hydroxynorvaline,NC(CC(F)CO)C(=O)O,NC(CC(F)CO)C(=O)O,"InChI=1/C5H10FNO3/c6-3(2-8)1-4(7)5(9)10/h3-4,8H,1-2,7H2,(H,9,10)",C5H10FNO3,,,,,,RZKLNPUDEHKDCG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.808,231-688-2,7683-81-0,"N-(2,4-dinitrophenyl)-L-aspartic acid","N-(2,4-dinitrophenyl)-L-aspartic acid",OC(=O)C[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,OC(=O)C[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C10H9N3O8/c14-9(15)4-7(10(16)17)11-6-2-1-5(12(18)19)3-8(6)13(20)21/h1-3,7,11H,4H2,(H,14,15)(H,16,17)",C10H9N3O8,,,,,,VPBRVQFBZHIBPS-ZETCQYMHSA-N,,,,,,,,,,,
100.028.818,231-699-2,7688-51-9,"N-allyl-1,1,1-trimethyl-N-(trimethylsilyl)silylamine","N-allyl-1,1,1-trimethyl-N-(trimethylsilyl)silanamine",C[Si](C)(C)N(CC=C)[Si](C)(C)C,C[Si](C)(C)N(CC=C)[Si](C)(C)C,"InChI=1/C9H23NSi2/c1-8-9-10(11(2,3)4)12(5,6)7/h8H,1,9H2,2-7H3",C9H23NSi2,,,,,,CVNCFZIIZGNVFD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.830,231-712-1,7697-26-9,3-bromo-4-methylbenzoic acid,3-bromo-4-methylbenzoic acid,Cc1ccc(cc1Br)C(=O)O,Cc1ccc(cc1Br)C(=O)O,"InChI=1/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)",C8H7BrO2,,,,,,ZFJOMUKPDWNRFI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.834,231-716-3,7699-41-4,Metasilicic acid,oxosilanediol,O[Si](=O)O,O[Si](=O)O,InChI=1/H2O3Si/c1-4(2)3/h1-2H,H2O3Si,,,,,,IJKVHSBPTUYDLN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.838,231-721-0,4/01/7702,"Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-2-heptyl-4,5-dihydro-1H-imidazolium hydroxide",-,[OH-].[Na+].[Na+].CCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,[OH-].[Na+].[Na+].CCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,"InChI=1/C16H28N2O5.2Na.H2O/c1-2-3-4-5-6-7-14-17-8-9-18(14,12-15(19)20)10-11-23-13-16(21)22;;;/h2-13H2,1H3,(H-,19,20,21,22);;;1H2/q;2*+1;",C16H29N2O5.HO.2Na,,,,,,IJOBQWAGGNHDEV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.842,231-725-2,7704-73-6,"Fumaric acid, sodium salt",sodium 3-carboxyacrylate,[Na+].OC(=O)\\C=C\\C(=O)[O-],[Na+].OC(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1",C4H4O4.xNa,,,,,,VRVKOZSIJXBAJG-TYYBGVCCSA-M,,,,,,,,,,,
100.028.849,231-733-6,7706-82-3,Ethyl 3-(4-methoxyphenyl)-2-butenoate,ethyl 3-(4-methoxyphenyl)but-2-enoate,COc1ccc(cc1)C(C)=CC(=O)OCC,COc1ccc(cc1)C(C)=CC(=O)OCC,"InChI=1/C13H16O3/c1-4-16-13(14)9-10(2)11-5-7-12(15-3)8-6-11/h5-9H,4H2,1-3H3",C13H16O3,,,,,,CFNFDUJWLXMVHH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.261,226-687-9,5451-85-4,Octyl valerate,octyl valerate,CCCCCCCCOC(=O)CCCC,CCCCCCCCOC(=O)CCCC,"InChI=1/C13H26O2/c1-3-5-7-8-9-10-12-15-13(14)11-6-4-2/h3-12H2,1-2H3",C13H26O2,,,,,,OUYCCOBIJYUMAK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.270,226-697-3,5453-67-8,"Dimethyl pyridine-2,6-carboxylate","dimethyl pyridine-2,6-dicarboxylate",COC(=O)c1cccc(n1)C(=O)OC,COC(=O)c1cccc(n1)C(=O)OC,"InChI=1/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3",C9H9NO4,,,,,,SNQQJEJPJMXYTR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.280,226-708-1,5454-70-6,6-butoxy-1H-purine,6-butoxy-1H-purine,CCCCOc1[nH]cnc2ncnc12,CCCCOc1[nH]cnc2ncnc12,"InChI=1/C9H12N4O/c1-2-3-4-14-9-7-8(11-5-10-7)12-6-13-9/h5-6H,2-4H2,1H3,(H,10,11,12,13)",C9H12N4O,,,,,,QDZUNLMIDBUULS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.241,228-865-1,6/12/6369,N-(5-bromo-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide,N-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-naphthamide,COc1ccc(Br)cc1NC(=O)c2cc3ccccc3cc2O,COc1ccc(Br)cc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C18H14BrNO3/c1-23-17-7-6-13(19)10-15(17)20-18(22)14-8-11-4-2-3-5-12(11)9-16(14)21/h2-10,21H,1H3,(H,20,22)",C18H14BrNO3,,,,,,FUGJUYHOUCUNPR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.245,228-869-3,6369-35-3,Sodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate,sodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].Nc1cccc(c1)C(=O)Nc2ccc4c(c2)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,[Na+].Nc1cccc(c1)C(=O)Nc2ccc4c(c2)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,"InChI=1/C23H18N4O5S.Na/c24-16-6-4-5-14(11-16)23(29)25-18-9-10-19-15(12-18)13-20(33(30,31)32)21(22(19)28)27-26-17-7-2-1-3-8-17;/h1-13,28H,24H2,(H,25,29)(H,30,31,32);/q;+1/p-1",C23H18N4O5S.Na,,,,,,QOXAGGMMRVMFOB-UHFFFAOYSA-M,,,,,,,,,,,
100.027.876,230-663-3,7251-52-7,a-phenylpyridine-2-acetamide,2-phenyl-2-pyridin-2-ylacetamide,NC(=O)C(c1ccccc1)c2ccccn2,NC(=O)C(c1ccccc1)c2ccccn2,"InChI=1/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)",C13H12N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16896,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.876,PYAPITOPBTXXNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.884,230-672-2,8/07/7253,9H-fluoren-9-yltriphenylphosphonium bromide,9H-fluoren-9-yl(triphenyl)phosphonium bromide,[Br-].c1ccc(cc1)[P+](C2c3ccccc3c4ccccc24)(c5ccccc5)c6ccccc6,[Br-].c1ccc(cc1)[P+](C2c3ccccc3c4ccccc24)(c5ccccc5)c6ccccc6,"InChI=1/C31H24P.BrH/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-29-22-12-10-20-27(29)28-21-11-13-23-30(28)31;/h1-23,31H;1H/q+1;/p-1",C31H24P.Br,,,,,,BHNPKGAMAZKCCJ-UHFFFAOYSA-M,,,,,,,,,,,
100.027.890,230-679-0,7258-22-2,"o-chlorobenzenediazonium chloride, compound with zinc chloride","o-chlorobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].Clc1ccccc1[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].Clc1ccccc1[N+]#N,InChI=1/C6H4ClN2.3ClH.Zn/c7-5-3-1-2-4-6(5)9-8;;;;/h1-4H;3*1H;/q+1;;;;+2/p-3,C6H4ClN2.xCl2Zn.Cl,,,,,,QZMRLSBGUFDPCU-UHFFFAOYSA-K,,,,,,,,,,,
100.027.891,230-680-6,7259-89-4,Bis(2-hydroxyethyl) 5-nitroisophthalate,bis(2-hydroxyethyl) 5-nitroisophthalate,OCCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCO,OCCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCO,"InChI=1/C12H13NO8/c14-1-3-20-11(16)8-5-9(12(17)21-4-2-15)7-10(6-8)13(18)19/h5-7,14-15H,1-4H2",C12H13NO8,,,,,,DVVHFUKYLNIPIH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.892,230-681-1,9/11/7260,Phenyl 3-hydroxy-2-naphthoate,phenyl 3-hydroxy-2-naphthoate,Oc1cc2ccccc2cc1C(=O)Oc3ccccc3,Oc1cc2ccccc2cc1C(=O)Oc3ccccc3,"InChI=1/C17H12O3/c18-16-11-13-7-5-4-6-12(13)10-15(16)17(19)20-14-8-2-1-3-9-14/h1-11,18H",C17H12O3,,,,,,SRMZHGJLSDITLO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.901,230-691-6,7274-88-6,D-lysine monohydrochloride,D-lysine hydrochloride,Cl.NCCCC[C@@H](N)C(=O)O,Cl.NCCCC[C@@H](N)C(=O)O,"InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H",C6H14N2O2.ClH,,,,,,BVHLGVCQOALMSV-NUBCRITNSA-N,,,,,,,,,,,
100.027.903,230-693-7,8/04/7278,Zinc diicosanoate,zinc diicosanoate,[Zn+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C20H40O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2",C20H40O2.1/2Zn,,,,,,CCTYJGNBCQQCKM-UHFFFAOYSA-L,,,,,,,,,,,
100.027.904,230-694-2,7278-65-1,"3,7,11-trimethyldodecan-3-ol","3,7,11-trimethyldodecan-3-ol",CCC(C)(O)CCCC(C)CCCC(C)C,CCC(C)(O)CCCC(C)CCCC(C)C,"InChI=1/C15H32O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h13-14,16H,6-12H2,1-5H3",C15H32O,,,,,,NUKWKMGANFONQP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.906,230-696-3,7280-37-7,"Estra-1,3,5(10)-trien-17-one 3-sulphate, compound with piperazine (1:1)","17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate - piperazine (1:1)",C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O.C5CNCCN5,C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O.C5CNCCN5,"InChI=1/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2",C18H22O5S.C4H10N2,,,,,,HZEQBCVBILBTEP-ZFINNJDLSA-N,,,,,,,,,,,
100.029.098,232-008-7,7783-55-3,Phosphorous trifluoride,phosphorous trifluoride,FP(F)F,FP(F)F,InChI=1/F3P/c1-4(2)3,F3P,,,,,,WKFBZNUBXWCCHG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.217,209-037-9,553-28-6,"3,4-dihydro-6,7-dimethoxy-2-methylisoquinolinium chloride","6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium chloride",[Cl-].COc1cc2CC[N+](=Cc2cc1OC)C,[Cl-].COc1cc2CC[N+](=Cc2cc1OC)C,"InChI=1/C12H16NO2.ClH/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1",C12H16NO2.Cl,,,,,,SNESGMZASZVGNN-UHFFFAOYSA-M,,,,,,,,,,,
100.008.218,209-038-4,553-30-0,Proflavine sulphate,"acridine-3,6-diamine sulfate",Nc1ccc2cc3ccc(N)cc3nc2c1.OS(=O)(=O)O,Nc1ccc2cc3ccc(N)cc3nc2c1.OS(=O)(=O)O,"InChI=1/C13H11N3.H2O4S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h1-7H,14-15H2;(H2,1,2,3,4)",C13H11N3.H2O4S,,,,,,WSFHCKWLECYVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.221,209-042-6,553-54-8,Lithium benzoate,lithium benzoate,[Li+].[O-]C(=O)c1ccccc1,[Li+].[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",C7H6O2.Li,,,,,,LDJNSLOKTFFLSL-UHFFFAOYSA-M,,,,,,,,,,,
100.008.222,209-043-1,553-60-6,Isopropyl nicotinate,isopropyl nicotinate,CC(C)OC(=O)c1cccnc1,CC(C)OC(=O)c1cccnc1,"InChI=1/C9H11NO2/c1-7(2)12-9(11)8-4-3-5-10-6-8/h3-7H,1-2H3",C9H11NO2,,,,,,VSRSQDMWBSKNSF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.224,209-045-2,553-70-8,Magnesium dibenzoate,magnesium dibenzoate,[Mg+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Mg+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Mg/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Mg,,,,,,PJJZFXPJNUVBMR-UHFFFAOYSA-L,,,,,,,,,,,
100.008.227,209-048-9,553-74-2,Anthranilaldehyde phenylhydrazone,2-(phenylcarbonohydrazonoyl)aniline,Nc1ccccc1\\C=N\\Nc2ccccc2,Nc1ccccc1\C=N\Nc2ccccc2,"InChI=1/C13H13N3/c14-13-9-5-4-6-11(13)10-15-16-12-7-2-1-3-8-12/h1-10,16H,14H2",C13H13N3,,,,,,LCPNCBSCOIMOBC-XNTDXEJSSA-N,,,,,,,,,,,
100.008.228,209-049-4,553-79-7,5-nitro-2-propoxyaniline,5-nitro-2-propoxyaniline,CCCOc1ccc(cc1N)[N+](=O)[O-],CCCOc1ccc(cc1N)[N+](=O)[O-],"InChI=1/C9H12N2O3/c1-2-5-14-9-4-3-7(11(12)13)6-8(9)10/h3-4,6H,2,5,10H2,1H3",C9H12N2O3,,,,,,RXQCEGOUSFBKPI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.229,209-051-5,553-82-2,"2,4-dichloroanisole","2,4-dichloro-1-methoxybenzene",COc1ccc(Cl)cc1Cl,COc1ccc(Cl)cc1Cl,"InChI=1/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3",C7H6Cl2O,,,,,,CICQUFBZCADHHX-UHFFFAOYSA-N,,,,,,,,,,,
100.008.237,209-059-9,554-10-9,"3-iodopropane-1,2-diol","3-iodopropane-1,2-diol",OCC(O)CI,OCC(O)CI,"InChI=1/C3H7IO2/c4-1-3(6)2-5/h3,5-6H,1-2H2",C3H7IO2,,,,,,GLJRUXJFSCIQFV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.240,209-063-0,554-14-3,2-methylthiophene,2-methylthiophene,Cc1cccs1,Cc1cccs1,"InChI=1/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3",C5H6S,,,,,,XQQBUAPQHNYYRS-UHFFFAOYSA-N,,,,,,,,,,,
100.008.250,209-074-0,554-91-6,Gentiobiose,6-O-beta-D-glucopyranosyl-beta-D-glucopyranose,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2",C12H22O11,,,,,,DLRVVLDZNNYCBX-LIZSDCNHSA-N,,,,,,,,,,,
100.008.253,209-077-7,554-95-0,"Benzene-1,3,5-tricarboxylic acid","benzene-1,3,5-tricarboxylic acid",OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O,OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O,"InChI=1/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",C9H6O6,,,,,,QMKYBPDZANOJGF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.254,209-078-2,554-99-4,4-[2-(dimethylamino)-1-hydroxyethyl]pyrocatechol,"4-[2-(dimethylamino)-1-hydroxyethyl]benzene-1,2-diol",CN(C)CC(O)c1ccc(O)c(O)c1,CN(C)CC(O)c1ccc(O)c(O)c1,"InChI=1/C10H15NO3/c1-11(2)6-10(14)7-3-4-8(12)9(13)5-7/h3-5,10,12-14H,6H2,1-2H3",C10H15NO3,,,,,,RLATYNCITHOLTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.008.256,209-080-3,555-06-6,Sodium 4-aminobenzoate,sodium 4-aminobenzoate,[Na+].Nc1ccc(cc1)C(=O)[O-],[Na+].Nc1ccc(cc1)C(=O)[O-],"InChI=1/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",C7H7NO2.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5985,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.256,XETSAYZRDCRPJY-UHFFFAOYSA-M,,,,,,,,,,,
100.008.257,209-081-9,555-10-2,"p-mentha-1(7),2-diene",3-isopropyl-6-methylenecyclohexene,CC(C)C1CCC(=C)C=C1,CC(C)C1CCC(=C)C=C1,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3",C10H16,,,,,,LFJQCDVYDGGFCH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.575,207-231-8,454-93-3,3-(fluorosulphonyl)benzoyl chloride,3-(fluorosulfonyl)benzoyl chloride,FS(=O)(=O)c1cccc(c1)C(=O)Cl,FS(=O)(=O)c1cccc(c1)C(=O)Cl,"InChI=1/C7H4ClFO3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H",C7H4ClFO3S,,,,,,ZYZOMPZZWUWKLH-UHFFFAOYSA-N,,,,,,,,,,,
100.006.578,207-234-4,455-13-0,"a,a,a-trifluoro-4-iodotoluene",1-iodo-4-(trifluoromethyl)benzene,FC(F)(F)c1ccc(I)cc1,FC(F)(F)c1ccc(I)cc1,"InChI=1/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H",C7H4F3I,,,,,,SKGRFPGOGCHDPC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.588,207-245-4,455-36-7,3-fluoroacetophenone,1-(3-fluorophenyl)ethanone,CC(=O)c1cccc(F)c1,CC(=O)c1cccc(F)c1,"InChI=1/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3",C8H7FO,,,,,,HCEKGPAHZCYRBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.591,207-249-6,455-86-7,"3,4-difluorobenzoic acid","3,4-difluorobenzoic acid",OC(=O)c1ccc(F)c(F)c1,OC(=O)c1ccc(F)c(F)c1,"InChI=1/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)",C7H4F2O2,,,,,,FPENCTDAQQQKNY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.936,226-330-7,5351-85-9,"(1,3-benzodioxol-5-ylformaldehyde) thiosemicarbazone","1,3-benzodioxole-5-carbaldehyde thiosemicarbazone",NC(=S)N\\N=C\\c1ccc2OCOc2c1,NC(=S)N\N=C\c1ccc2OCOc2c1,"InChI=1/C9H9N3O2S/c10-9(15)12-11-4-6-1-2-7-8(3-6)14-5-13-7/h1-4H,5H2,(H3,10,12,15)",C9H9N3O2S,,,,,,XPZMHSMUMPMPMD-NYYWCZLTSA-N,,,,,,,,,,,
100.023.937,226-331-2,5353-48-0,Sodium 2-[[(diethylamino)thioxomethyl]thio]ethanesulphonate,sodium 2-[(diethylcarbamothioyl)sulfanyl]ethanesulfonate,[Na+].CCN(CC)C(=S)SCCS(=O)(=O)[O-],[Na+].CCN(CC)C(=S)SCCS(=O)(=O)[O-],"InChI=1/C7H15NO3S3.Na/c1-3-8(4-2)7(12)13-5-6-14(9,10)11;/h3-6H2,1-2H3,(H,9,10,11);/q;+1/p-1",C7H15NO3S3.Na,,,,,,AFIMJRRIIXAUAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.027.582,230-340-7,7057-73-0,Tetrakis(2-aminoethyl) orthosilicate,tetrakis(2-aminoethyl) orthosilicate,NCCO[Si](OCCN)(OCCN)OCCN,NCCO[Si](OCCN)(OCCN)OCCN,"InChI=1/C8H24N4O4Si/c9-1-5-13-17(14-6-2-10,15-7-3-11)16-8-4-12/h1-12H2",C8H24N4O4Si,,,,,,MEIYXMYVJKNCGO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.585,230-343-3,7058-55-1,Cadmium dianthranilate,cadmium bis(2-aminobenzoate),[Cd+2].Nc1ccccc1C(=O)[O-].Nc2ccccc2C(=O)[O-],[Cd+2].Nc1ccccc1C(=O)[O-].Nc2ccccc2C(=O)[O-],"InChI=1/2C7H7NO2.Cd/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,8H2,(H,9,10);/q;;+2/p-2",C7H7NO2.Cd,,,,,,OGZFIUUMTJEONW-UHFFFAOYSA-L,,,,,,,,,,,
100.027.599,230-359-0,7068-70-4,Aluminium propionate,aluminum tripropanoate,[Al+3].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-],[Al+3].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/3C3H6O2.Al/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);/q;;;+3/p-3",C3H6O2.1/3Al,,,,,,DMGNPLVEZUUCBT-UHFFFAOYSA-K,,,,,,,,,,,
100.027.601,230-361-1,9/06/7069,Magnesium dinicotinate,magnesium dinicotinate,[Mg+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2,[Mg+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2,"InChI=1/2C6H5NO2.Mg/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2",C6H5NO2.1/2Mg,,,,,,LBYCWLBCHNSWFE-UHFFFAOYSA-L,,,,,,,,,,,
100.027.603,230-363-2,7069-42-3,Retinyl propionate,O~15~-propionylretinoic acid,CCC(=O)OC(=O)\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C,CCC(=O)OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C23H32O3/c1-7-21(24)26-22(25)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-23(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3",C23H34O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11464,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.603,BGBQHFGPBINJOF-NBIQJRODSA-N,,,,,,,,,,,
100.027.604,230-364-8,7070-15-7,"Exo-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanol","2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanol",CC1(C)C2CCC1(C)C(C2)OCCO,CC1(C)C2CCC1(C)C(C2)OCCO,"InChI=1/C12H22O2/c1-11(2)9-4-5-12(11,3)10(8-9)14-7-6-13/h9-10,13H,4-8H2,1-3H3",C12H22O2,,,,,,IWWCSDGEIDYEJV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.607,230-367-4,7073-36-1,2-chloro-4-nitrobenzoyl chloride,2-chloro-4-nitrobenzoyl chloride,[O-][N+](=O)c1ccc(C(=O)Cl)c(Cl)c1,[O-][N+](=O)c1ccc(C(=O)Cl)c(Cl)c1,InChI=1/C7H3Cl2NO3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,C7H3Cl2NO3,,,,,,KTHNITVDTYAHFF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.609,230-370-0,7073-94-1,o-bromocumene,1-bromo-2-isopropylbenzene,CC(C)c1ccccc1Br,CC(C)c1ccccc1Br,"InChI=1/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3",C9H11Br,,,,,,LECYCYNAEJDSIL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.610,230-371-6,7074-00-2,"a,a-dimethylbenzyl perbenzoate",1-methyl-1-phenylethyl benzenecarboperoxoate,CC(C)(OOC(=O)c1ccccc1)c2ccccc2,CC(C)(OOC(=O)c1ccccc1)c2ccccc2,"InChI=1/C16H16O3/c1-16(2,14-11-7-4-8-12-14)19-18-15(17)13-9-5-3-6-10-13/h3-12H,1-2H3",C16H16O3,,,,,,IXDKAJLKGJBFHD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.611,230-372-1,8/03/7075,"1'-[3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl][1,4'-bipiperidine]-4'-carboxamide dihydrochloride","1'-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-1,4'-bipiperidine-4'-carboxamide dihydrochloride",Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccccc24)CC1)N5CCCCC5,Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccccc24)CC1)N5CCCCC5,"InChI=1/C28H38N4O.2ClH/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;;/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33);2*1H",C28H38N4O.2ClH,,,,,,NZZMVMMUNRNSMC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.618,230-380-5,7081-83-6,"2-hexyl-5-methyl-5-propyl-1,3-dioxane","2-hexyl-5-methyl-5-propyl-1,3-dioxane",CCCCCCC1OCC(C)(CCC)CO1,CCCCCCC1OCC(C)(CCC)CO1,"InChI=1/C14H28O2/c1-4-6-7-8-9-13-15-11-14(3,10-5-2)12-16-13/h13H,4-12H2,1-3H3",C14H28O2,,,,,,OWXIHERLFLAGCP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.620,230-382-6,7082-71-5,Isonicotinic anhydride,isonicotinic anhydride,O=C(OC(=O)c1ccncc1)c2ccncc2,O=C(OC(=O)c1ccncc1)c2ccncc2,InChI=1/C12H8N2O3/c15-11(9-1-5-13-6-2-9)17-12(16)10-3-7-14-8-4-10/h1-8H,C12H8N2O3,,,,,,ORBIGZZHMAJXAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.331,226-764-7,2/03/5465,"Melamine, N2,N4,N6-triisopropyl-","N,N',N''-triisopropyl-1,3,5-triazine-2,4,6-triamine",CC(C)Nc1nc(NC(C)C)nc(NC(C)C)n1,CC(C)Nc1nc(NC(C)C)nc(NC(C)C)n1,"InChI=1/C12H24N6/c1-7(2)13-10-16-11(14-8(3)4)18-12(17-10)15-9(5)6/h7-9H,1-6H3,(H3,13,14,15,16,17,18)",C12H24N6,,,,,,VHYSDRYXGKFTPY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.333,226-766-8,5465-13-4,"1,2,4,5-tetramethyl-3,6-dinitrobenzene","1,2,4,5-tetramethyl-3,6-dinitrobenzene",Cc1c(C)c(c(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-],Cc1c(C)c(c(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-],InChI=1/C10H12N2O4/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3,C10H12N2O4,,,,,,AEPQXGFMAZTUEA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.852,231-736-2,7713-58-8,2-methyl-3-phenyl-(2H)isoxazol-5-one,2-methyl-3-phenylisoxazol-5(2H)-one,CN1OC(=O)C=C1c2ccccc2,CN1OC(=O)C=C1c2ccccc2,"InChI=1/C10H9NO2/c1-11-9(7-10(12)13-11)8-5-3-2-4-6-8/h2-7H,1H3",C10H9NO2,,,,,,UHIFBCFPFDNCNN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.855,231-739-9,7716-60-1,Etisazole,"N-ethyl-1,2-benzisothiazol-3-amine",CCNc1nsc2ccccc12,CCNc1nsc2ccccc12,"InChI=1/C9H10N2S/c1-2-10-9-7-5-3-4-6-8(7)12-11-9/h3-6H,2H2,1H3,(H,10,11)",C9H10N2S,,,,,,CPYSWRYVSINXMC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.856,231-740-4,7717-46-6,Lead(4+) stearate,lead(4+) tetraoctadecanoate,[Pb+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Pb+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/4C18H36O2.Pb/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4",C18H36O2.1/4Pb,,,,,,KHOUMDSZRIBMDR-UHFFFAOYSA-J,,,,,,,,,,,
100.028.860,231-745-1,7719-00-8,N-[2-(trimethoxysilyl)ethyl]ethylenediamine,"N-[2-(trimethoxysilyl)ethyl]ethane-1,2-diamine",CO[Si](CCNCCN)(OC)OC,CO[Si](CCNCCN)(OC)OC,"InChI=1/C7H20N2O3Si/c1-10-13(11-2,12-3)7-6-9-5-4-8/h9H,4-8H2,1-3H3",C7H20N2O3Si,,,,,,FPFKERZHIGFTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.868,231-754-0,7720-83-4,Titanium tetraiodide,titanium tetraiodide,[I-].[I-].[I-].[I-].[Ti+2].[Ti+2],[I-].[I-].[I-].[I-].[Ti+2].[Ti+2],InChI=1/4HI.2Ti/h4*1H;;/q;;;;2*+2/p-4,I4Ti,,,,,,OLZITOBLTZPZKP-UHFFFAOYSA-J,,,,,,,,,,,
100.028.872,231-758-2,7721-15-5,"Copper (9Z,12Z)-octadeca-9,12-dienoate","copper(2+) dioctadeca-9,12-dienoate",[Cu+2].[O-]C(=O)CCCCCCC/C=C\\C/C=C\\CCCCC.[O-]C(=O)CCCCCCC/C=C\\C/C=C\\CCCCC,[Cu+2].[O-]C(=O)CCCCCCC/C=C\C/C=C\CCCCC.[O-]C(=O)CCCCCCC/C=C\C/C=C\CCCCC,"InChI=1/2C18H32O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.xCu,,,,,,CXGHLNDIGXESIH-GRVYQHKQSA-L,,,,,,,,,,,
100.023.628,225-990-3,5202-85-7,2-amino-5-chlorobenzamide,2-amino-5-chlorobenzamide,NC(=O)c1cc(Cl)ccc1N,NC(=O)c1cc(Cl)ccc1N,"InChI=1/C7H7ClN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)",C7H7ClN2O,,,,,,DNRVZOZGQHHDAT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.632,225-995-0,5204-74-0,Triethylammonium acetate,"N,N-diethylethanaminium acetate",CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC.CC(=O)[O-],"InChI=1/C6H15N.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)",C6H15N.C2H4O2,,,,,,AVBGNFCMKJOFIN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.633,225-996-6,2/07/5205,3-methyl-3-butenyl acetate,3-methylbut-3-en-1-yl acetate,CC(=C)CCOC(=O)C,CC(=C)CCOC(=O)C,"InChI=1/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3",C7H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16304,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.633,OCUAPVNNQFAQSM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.638,226-001-8,5205-82-3,Bevonium metilsulfate,"2-{[2-hydroxy(diphenyl)acetoxy]methyl}-1,1-dimethylpiperidinium methyl sulfate",COS(=O)(=O)[O-].C[N+]1(C)CCCCC1COC(=O)C(O)(c2ccccc2)c3ccccc3,COS(=O)(=O)[O-].C[N+]1(C)CCCCC1COC(=O)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C22H28NO3.CH3O4S,,,,,,AXKJGGRSAVLXTE-UHFFFAOYSA-M,,,,,,,,,,,
100.023.642,226-006-5,5208-93-5,"3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol","3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol",CC1(C)CCCC(\\C)=C1\\C=CC(C)(O)C=C,CC1(C)CCCC(\C)=C1\C=CC(C)(O)C=C,"InChI=1/C15H24O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,9,11,16H,1,7-8,10H2,2-5H3",C15H24O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1280,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.642,PZGYHDPZANRCSM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.644,226-008-6,5211-62-1,2-methoxyphenylacetone,1-(2-methoxyphenyl)acetone,COc1ccccc1CC(=O)C,COc1ccccc1CC(=O)C,"InChI=1/C10H12O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3",C10H12O2,,,,,,GMBFNZCPZFVKAT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.261,229-987-8,1/01/6884,"4,6-O-benzylidene-a-D-glucopyranoside methyl bis(4-methylbenzenesulphonate)","methyl 4,6-O-benzylidene-2,3-bis-O-[(4-methylphenyl)sulfonyl]hexopyranoside",COC1OC2COC(OC2C(OS(=O)(=O)c3ccc(C)cc3)C1OS(=O)(=O)c4ccc(C)cc4)c5ccccc5,COC1OC2COC(OC2C(OS(=O)(=O)c3ccc(C)cc3)C1OS(=O)(=O)c4ccc(C)cc4)c5ccccc5,"InChI=1/C28H30O10S2/c1-18-9-13-21(14-10-18)39(29,30)37-25-24-23(17-34-27(36-24)20-7-5-4-6-8-20)35-28(33-3)26(25)38-40(31,32)22-15-11-19(2)12-16-22/h4-16,23-28H,17H2,1-3H3",C28H30O10S2,,,,,,MPNMHFPNHIKNOA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.266,229-993-0,6890-27-3,Piperonyl isobutyrate,"1,3-benzodioxol-5-ylmethyl 2-methylpropanoate",CC(C)C(=O)OCc1ccc2OCOc2c1,CC(C)C(=O)OCc1ccc2OCOc2c1,"InChI=1/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3",C12H14O4,,,,,,RQULTIASPCVEFO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.273,230-000-8,6893-26-1,D-glutamic acid,D-glutamic acid,N[C@H](CCC(=O)O)C(=O)O,N[C@H](CCC(=O)O)C(=O)O,"InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)",C5H9NO4,,,,,,WHUUTDBJXJRKMK-GSVOUGTGSA-N,,,,,,,,,,,
100.027.278,230-006-0,3/04/6899,Glutamine,glutamine,NC(CCC(=O)N)C(=O)O,NC(CCC(=O)N)C(=O)O,"InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)",C5H10N2O3,,,,,,ZDXPYRJPNDTMRX-UHFFFAOYSA-N,,,,,,,,,,,
100.029.104,232-015-5,7783-61-1,Silicon tetrafluoride,silicon(4+) tetrafluoride,[F-].[F-].[F-].[F-].[Si+4],[F-].[F-].[F-].[F-].[Si+4],InChI=1/4FH.H4Si/h4*1H;1H4/q;;;;+4/p-4,F4Si,,,,,,IEPMHPLKKUKRSX-UHFFFAOYSA-J,,,,,,,,,,,
100.029.107,232-018-1,7783-64-4,Zirconium tetrafluoride,zirconium tetrafluoride,[F-].[F-].[F-].[F-].[Zr+2].[Zr+2],[F-].[F-].[F-].[F-].[Zr+2].[Zr+2],InChI=1/4FH.2Zr/h4*1H;;/q;;;;2*+2/p-4,F4Zr,,,,,,CCQGNUOPEAPFEP-UHFFFAOYSA-J,,,,,,,,,,,
100.029.115,232-027-0,7783-80-4,Tellurium hexafluoride,tellurium hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[TeH2+2].[TeH2+2].[TeH2+2],[F-].[F-].[F-].[F-].[F-].[F-].[TeH2+2].[TeH2+2].[TeH2+2],InChI=1/6FH.3H2Te/h6*1H;3*1H2/q;;;;;;3*+2/p-6,F6Te,,,,,,CSMMEKBJLWNHDV-UHFFFAOYSA-H,,,,,,,,,,,
100.029.118,232-030-7,7783-84-8,Iron tris(phosphinate),-,[Fe+3].[O-]P=O.[O-]P=O.[O-]P=O,[Fe+3].[O-]P=O.[O-]P=O.[O-]P=O,"InChI=1/Fe.3HO2P/c;3*1-3-2/h;3*(H,1,2)/q+3;;;/p-3",Fe.3H3O2P,,,,,,AKUPWWXXOPZGCK-UHFFFAOYSA-K,,,,,,,,,,,
100.029.122,232-034-9,7783-92-8,Silver chlorate,silver(1+) chlorate,[Ag+].[O-]Cl(=O)=O,[Ag+].[O-]Cl(=O)=O,"InChI=1/Ag.ClHO3/c;2-1(3)4/h;(H,2,3,4)/q+1;/p-1",Ag.ClHO3,,,,,,SDLBJIZEEMKQKY-UHFFFAOYSA-M,,,,,,,,,,,
100.029.123,232-035-4,7783-93-9,Silver perchlorate,silver(1+) perchlorate,[Ag+].[O-]Cl(=O)(=O)=O,[Ag+].[O-]Cl(=O)(=O)=O,"InChI=1/Ag.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5)/q+1;/p-1",Ag.ClHO4,,,,,,YDHABVNRCBNRNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.023.876,226-263-3,5337-60-0,Tris(2-chlorophenyl) borate,tris(2-chlorophenyl) borate,Clc1ccccc1OB(Oc2ccccc2Cl)Oc3ccccc3Cl,Clc1ccccc1OB(Oc2ccccc2Cl)Oc3ccccc3Cl,InChI=1/C18H12BCl3O3/c20-13-7-1-4-10-16(13)23-19(24-17-11-5-2-8-14(17)21)25-18-12-6-3-9-15(18)22/h1-12H,C18H12BCl3O3,,,,,,JNEZJAAADKQBBD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.880,226-268-0,3/10/5338,3-[(tetrahydrofurfuryl)oxy]propiononitrile,3-(tetrahydrofuran-2-ylmethoxy)propanenitrile,N#CCCOCC1CCCO1,N#CCCOCC1CCCO1,"InChI=1/C8H13NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h8H,1-3,5-7H2",C8H13NO2,,,,,,SXCCMCCJGSXUML-UHFFFAOYSA-N,,,,,,,,,,,
100.023.884,226-272-2,5339-62-8,5-ethylsulphonyl-o-anisidine,5-(ethylsulfonyl)-2-methoxyaniline,CCS(=O)(=O)c1ccc(OC)c(N)c1,CCS(=O)(=O)c1ccc(OC)c(N)c1,"InChI=1/C9H13NO3S/c1-3-14(11,12)7-4-5-9(13-2)8(10)6-7/h4-6H,3,10H2,1-2H3",C9H13NO3S,,,,,,XDLWNEUYUGKDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.886,226-274-3,5339-80-0,"3,3-bis[4-(dimethylamino)phenyl]phthalide","3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one",CN(C)c1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(cc4)N(C)C,CN(C)c1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(cc4)N(C)C,"InChI=1/C24H24N2O2/c1-25(2)19-13-9-17(10-14-19)24(18-11-15-20(16-12-18)26(3)4)22-8-6-5-7-21(22)23(27)28-24/h5-16H,1-4H3",C24H24N2O2,,,,,,QUINKWASVQHVID-UHFFFAOYSA-N,,,,,,,,,,,
100.023.889,226-278-5,5340-41-0,"2,2,3-trimethylhexan-3-ol","2,2,3-trimethylhexan-3-ol",CCCC(C)(O)C(C)(C)C,CCCC(C)(O)C(C)(C)C,"InChI=1/C9H20O/c1-6-7-9(5,10)8(2,3)4/h10H,6-7H2,1-5H3",C9H20O,,,,,,DHNHHYWBZNQHGN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.890,226-279-0,5340-48-7,"2,2-dipropylvaleronitrile","2,2-dipropylpentanenitrile",CCCC(CCC)(CCC)C#N,CCCC(CCC)(CCC)C#N,"InChI=1/C11H21N/c1-4-7-11(10-12,8-5-2)9-6-3/h4-9H2,1-3H3",C11H21N,,,,,,AWAHTDIOUIVENZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.892,226-281-1,5340-88-5,Butyl pyridine-2-carboxylate,butyl pyridine-2-carboxylate,CCCCOC(=O)c1ccccn1,CCCCOC(=O)c1ccccn1,"InChI=1/C10H13NO2/c1-2-3-8-13-10(12)9-6-4-5-7-11-9/h4-7H,2-3,8H2,1H3",C10H13NO2,,,,,,HZUPDAXALKWCGX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.897,226-286-9,5344-27-4,Pyridine-4-ethanol,2-pyridin-4-ylethanol,OCCc1ccncc1,OCCc1ccncc1,"InChI=1/C7H9NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2",C7H9NO,,,,,,DWPYQDGDWBKJQL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.527,230-279-6,7005-47-2,2-(dimethylamino)-2-methylpropan-1-ol,2-(dimethylamino)-2-methylpropan-1-ol,CN(C)C(C)(C)CO,CN(C)C(C)(C)CO,"InChI=1/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3",C6H15NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11939,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.527,XRIBIDPMFSLGFS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.534,230-286-4,7009-54-3,Pentapiperide,1-methylpiperidin-4-yl 3-methyl-2-phenylpentanoate,CCC(C)C(C(=O)OC1CCN(C)CC1)c2ccccc2,CCC(C)C(C(=O)OC1CCN(C)CC1)c2ccccc2,"InChI=1/C18H27NO2/c1-4-14(2)17(15-8-6-5-7-9-15)18(20)21-16-10-12-19(3)13-11-16/h5-9,14,16-17H,4,10-13H2,1-3H3",C18H27NO2,,,,,,UKQYEYCQIQBHBC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.535,230-288-5,7009-60-1,Pheniodol sodium,"sodium 3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoate",[Na+].Oc1c(I)cc(CC(C(=O)[O-])c2ccccc2)cc1I,[Na+].Oc1c(I)cc(CC(C(=O)[O-])c2ccccc2)cc1I,"InChI=1/C15H12I2O3.Na/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10;/h1-5,7-8,11,18H,6H2,(H,19,20);/q;+1/p-1",C15H12I2O3.Na,,,,,,JFFBJAOFKRCWPX-UHFFFAOYSA-M,,,,,,,,,,,
100.027.536,230-289-0,7009-61-2,Dodecyl(2-hydroxyethyl)dimethylammonium bromide,"N-(2-hydroxyethyl)-N,N-dimethyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)CCO,[Br-].CCCCCCCCCCCC[N+](C)(C)CCO,"InChI=1/C16H36NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18;/h18H,4-16H2,1-3H3;1H/q+1;/p-1",C16H36NO.Br,,,,,,QBQLPWLODYZCLE-UHFFFAOYSA-M,,,,,,,,,,,
100.006.595,207-253-8,455-91-4,1-(3-fluoro-4-methoxyphenyl)ethan-1-one,1-(3-fluoro-4-methoxyphenyl)ethanone,COc1ccc(cc1F)C(=O)C,COc1ccc(cc1F)C(=O)C,"InChI=1/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3",C9H9FO2,,,,,,LQASUDVYVOFKNK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.598,207-256-4,456-04-2,a-chloro-4-fluoroacetophenone,2-chloro-1-(4-fluorophenyl)ethanone,Fc1ccc(cc1)C(=O)CCl,Fc1ccc(cc1)C(=O)CCl,"InChI=1/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",C8H6ClFO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1946,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.598,UJZWJOQRSMOFMA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.602,207-261-1,456-27-9,4-nitrobenzenediazonium tetrafluoroborate,4-nitrobenzenediazonium tetrafluoroborate,[O-][N+](=O)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,[O-][N+](=O)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,"InChI=1/C6H4N3O2.BF4/c7-8-5-1-3-6(4-2-5)9(10)11;2-1(3,4)5/h1-4H;/q+1;-1",C6H4N3O2.BF4,,,,,,AFULQCYCQAHYIP-UHFFFAOYSA-N,,,,,,,,,,,
100.006.604,207-263-2,456-41-7,a-bromo-m-fluorotoluene,1-(bromomethyl)-3-fluorobenzene,Fc1cccc(CBr)c1,Fc1cccc(CBr)c1,"InChI=1/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",C7H6BrF,,,,,,SCBZBMXPJYMXRC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.607,207-266-9,456-48-4,3-fluorobenzaldehyde,3-fluorobenzaldehyde,Fc1cccc(C=O)c1,Fc1cccc(C=O)c1,InChI=1/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H,C7H5FO,,,,,,PIKNVEVCWAAOMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.608,207-267-4,456-49-5,3-fluoroanisole,1-fluoro-3-methoxybenzene,COc1cccc(F)c1,COc1cccc(F)c1,"InChI=1/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3",C7H7FO,,,,,,MFJNOXOAIFNSBX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.610,207-270-0,456-56-4,[(trifluoromethyl)thio]benzene,[(trifluoromethyl)sulfanyl]benzene,FC(F)(F)Sc1ccccc1,FC(F)(F)Sc1ccccc1,"InChI=1/C7H5F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H",C7H5F3S,,,,,,YQQKTCBMKQQOSM-UHFFFAOYSA-N,,,,,,,,,,,
100.006.614,207-274-2,457-68-1,"1,1'-methylenebis[4-fluorobenzene]","1,1'-methylenebis(4-fluorobenzene)",Fc1ccc(Cc2ccc(F)cc2)cc1,Fc1ccc(Cc2ccc(F)cc2)cc1,"InChI=1/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2",C13H10F2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11975,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.614,DXQVFHQUHOFROC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.615,207-275-8,458-09-3,3-fluoro-4-hydroxyphenylacetic acid,(3-fluoro-4-hydroxyphenyl)acetic acid,OC(=O)Cc1ccc(O)c(F)c1,OC(=O)Cc1ccc(O)c(F)c1,"InChI=1/C8H7FO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)",C8H7FO3,,,,,,YRFBZAHYMOSSGX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.617,207-277-9,458-35-5,4-hydroxy-3-methoxycinnamylic alcohol,4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenol,COc1cc(C=CCO)ccc1O,COc1cc(C=CCO)ccc1O,"InChI=1/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3",C10H12O3,,,,,,JMFRWRFFLBVWSI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.140,210-053-3,603-69-0,Ethyl 2-acetylacetoacetate,ethyl 2-acetyl-3-oxobutanoate,CCOC(=O)C(C(=O)C)C(=O)C,CCOC(=O)C(C(=O)C)C(=O)C,"InChI=1/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3",C8H12O4,,,,,,YMCDYRGMTRCAPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.009.143,210-057-5,603-76-9,1-methylindole,1-methyl-1H-indole,Cn1ccc2ccccc12,Cn1ccc2ccccc12,"InChI=1/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3",C9H9N,,,,,,BLRHMMGNCXNXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.009.150,210-064-3,604-32-0,Cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-yl benzoate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5,"InChI=1/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3",C34H50O2,,,,,,UVZUFUGNHDDLRQ-LLHZKFLPSA-N,,,,,,,,,,,
100.009.151,210-065-9,604-33-1,"Cholest-5-en-3ß-yl (Z,Z)-octadeca-9,12-dienoate","cholest-5-en-3-yl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3",C45H76O2,,,,,,NAACPBBQTFFYQB-LJAITQKLSA-N,,,,,,,,,,,
100.009.155,210-070-6,604-53-5,"1,1'-binaphthyl","1,1'-binaphthalene",c1ccc2c(cccc2c1)c3cccc4ccccc34,c1ccc2c(cccc2c1)c3cccc4ccccc34,InChI=1/C20H14/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,C20H14,,,,,,ZDZHCHYQNPQSGG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.166,210-082-1,605-08-3,"(8a,9R)-10,11-dihydro-6'-[(6-methylheptyl)oxy]cinchonan-9-ol dihydrochloride","6'-[(6-methylheptyl)oxy]-10,11-dihydrocinchonan-9-ol dihydrochloride",Cl.Cl.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OCCCCCC(C)C)cc34,Cl.Cl.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OCCCCCC(C)C)cc34,"InChI=1/C27H40N2O2.2ClH/c1-4-20-18-29-14-12-21(20)16-26(29)27(30)23-11-13-28-25-10-9-22(17-24(23)25)31-15-7-5-6-8-19(2)3;;/h9-11,13,17,19-21,26-27,30H,4-8,12,14-16,18H2,1-3H3;2*1H",C27H40N2O2.2ClH,,,,,,QJLBJQFPIPULNW-ZULKKXTPSA-N,,,,,,,,,,,
100.009.176,210-093-1,605-69-6,"2,4-dinitro-1-naphthol","2,4-dinitro-1-naphthol",Oc1c(cc(c2ccccc12)[N+](=O)[O-])[N+](=O)[O-],Oc1c(cc(c2ccccc12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H",C10H6N2O5,,,,,,FFRBMBIXVSCUFS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.335,226-768-9,5465-33-8,2-chloro-6-nitro-p-toluidine,2-chloro-4-methyl-6-nitroaniline,Cc1cc(Cl)c(N)c(c1)[N+](=O)[O-],Cc1cc(Cl)c(N)c(c1)[N+](=O)[O-],"InChI=1/C7H7ClN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3",C7H7ClN2O2,,,,,,UGXUJYWOKLTNET-UHFFFAOYSA-N,,,,,,,,,,,
100.024.336,226-769-4,5465-65-6,4'-chloro-3'-nitroacetophenone,1-(4-chloro-3-nitrophenyl)ethanone,CC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],CC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3",C8H6ClNO3,,,,,,YEVPHFIFGUWSMG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.338,226-772-0,5466-22-8,Bis[(cyanomethyl)ammonium] sulphate,bis(cyanomethanaminium) sulfate,[NH3+]CC#N.[NH3+]CC#N.[O-]S(=O)(=O)[O-],[NH3+]CC#N.[NH3+]CC#N.[O-]S(=O)(=O)[O-],"InChI=1/2C2H4N2.H2O4S/c2*3-1-2-4;1-5(2,3)4/h2*1,3H2;(H2,1,2,3,4)",C2H4N2.1/2H2O4S,,,,,,NQHWLBZZBSYIPI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.345,226-779-9,5467-74-3,Dihydroxy-4-bromophenylborane,(4-bromophenyl)boronic acid,OB(O)c1ccc(Br)cc1,OB(O)c1ccc(Br)cc1,"InChI=1/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H",C6H6BBrO2,,,,,,QBLFZIBJXUQVRF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.346,226-780-4,5467-78-7,Fenamole,1-phenyl-1H-tetrazol-5-amine,Nc1nnnn1c2ccccc2,Nc1nnnn1c2ccccc2,"InChI=1/C7H7N5/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,8,9,11)",C7H7N5,,,,,,ULIDRMKBVYYVIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.351,226-786-7,5468-23-5,Diethyl acetoxymalonate,diethyl acetoxymalonate,CCOC(=O)C(OC(=O)C)C(=O)OCC,CCOC(=O)C(OC(=O)C)C(=O)OCC,"InChI=1/C9H14O6/c1-4-13-8(11)7(15-6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3",C9H14O6,,,,,,XZFLUEMBCUUTKI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.352,226-787-2,5468-37-1,Aminomethylphenylketone hydrochloride,2-amino-1-phenylethanone hydrochloride,Cl.NCC(=O)c1ccccc1,Cl.NCC(=O)c1ccccc1,"InChI=1/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H",C8H9NO.ClH,,,,,,CVXGFPPAIUELDV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.356,226-791-4,5468-97-3,"4-chloro-a,a-dimethylphenethylic alcohol",1-(4-chlorophenyl)-2-methylpropan-2-ol,CC(C)(O)Cc1ccc(Cl)cc1,CC(C)(O)Cc1ccc(Cl)cc1,"InChI=1/C10H13ClO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3",C10H13ClO,,,,,,WAAJRPRSQXYYAA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.359,226-795-6,5469-45-4,1-acetamidocinnamic acid,2-[(1-hydroxyethylidene)amino]-3-phenylacrylic acid,OC(=O)C(\\N=C(/C)O)=C/c1ccccc1,OC(=O)C(\N=C(/C)O)=C/c1ccccc1,"InChI=1/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)",C11H11NO3,,,,,,XODAOBAZOQSFDS-JXMROGBWSA-N,,,,,,,,,,,
100.024.367,226-803-8,5470-49-5,4-mesylaniline,4-(methylsulfonyl)aniline,CS(=O)(=O)c1ccc(N)cc1,CS(=O)(=O)c1ccc(N)cc1,"InChI=1/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3",C7H9NO2S,,,,,,XJEVFFNOMKXBLU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.372,226-809-0,5471-76-1,2-amino-4-chlorophenol hydrochloride,2-amino-4-chlorophenol hydrochloride,Cl.Nc1cc(Cl)ccc1O,Cl.Nc1cc(Cl)ccc1O,"InChI=1/C6H6ClNO.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H,8H2;1H",C6H6ClNO.ClH,,,,,,SYIVFRRXIIRPAO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.374,226-811-1,5472-41-3,"4-aminopyrazolo[3,4-d]pyrimidin-6-ol","4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ol",Nc1nc(O)nc2[nH]ncc12,Nc1nc(O)nc2[nH]ncc12,"InChI=1/C5H5N5O/c6-3-2-1-7-10-4(2)9-5(11)8-3/h1H,(H4,6,7,8,9,10,11)",C5H5N5O,,,,,,KTQYLKORCCNJTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.002,228-602-0,6303-30-6,Diisobutyl hydrogen phosphate,diisobutyl hydrogen phosphate,CC(C)COP(=O)(O)OCC(C)C,CC(C)COP(=O)(O)OCC(C)C,"InChI=1/C8H19O4P/c1-7(2)5-11-13(9,10)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,10)",C8H19O4P,,,,,,PVQVJLCMPNEFPM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.962,230-759-5,7307-02-0,"Heptane-2,4-dione","heptane-2,4-dione",CCCC(=O)CC(=O)C,CCCC(=O)CC(=O)C,"InChI=1/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-5H2,1-2H3",C7H12O2,,,,,,ILPNRWUGFSPGAA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.964,230-761-6,7307-55-3,Undecylamine,undecan-1-amine,CCCCCCCCCCCN,CCCCCCCCCCCN,"InChI=1/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3",C11H25N,,,,,,QFKMMXYLAPZKIB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.965,230-762-1,7308-16-9,Sodium 2-[methyl(1-oxo-9-octadecenyl)amino]ethanesulphonate,sodium 2-[methyl(oleoyl)amino]ethanesulfonate,[Na+].[O-]S(=O)(=O)CCN(C)C(=O)CCCCCCCC=CCCCCCCCC,[Na+].[O-]S(=O)(=O)CCN(C)C(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1",C21H41NO4S.Na,,,,,,IZWPGJFSBABFGL-UHFFFAOYSA-M,,,,,,,,,,,
100.027.969,230-766-3,7309-84-4,"3,5,5,6-tetrafluoro-3,6-bis(trifluoromethyl)-1,4-dioxan-2-one","3,5,5,6-tetrafluoro-3,6-bis(trifluoromethyl)-1,4-dioxan-2-one",FC(F)(F)C1(F)OC(F)(F)C(F)(OC1=O)C(F)(F)F,FC(F)(F)C1(F)OC(F)(F)C(F)(OC1=O)C(F)(F)F,"InChI=1/C6F10O3/c7-2(4(9,10)11)1(17)18-3(8,5(12,13)14)6(15,16)19-2",C6F10O3,,,,,,CWRPQPNYDDMAMA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.972,230-770-5,7311-27-5,2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol,2-(2-{2-[2-(4-nonylphenoxy)ethoxy]ethoxy}ethoxy)ethanol,CCCCCCCCCc1ccc(OCCOCCOCCOCCO)cc1,CCCCCCCCCc1ccc(OCCOCCOCCOCCO)cc1,"InChI=1/C23H40O5/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)28-21-20-27-19-18-26-17-16-25-15-14-24/h10-13,24H,2-9,14-21H2,1H3",C23H40O5,,,,,,UTXPMECBRCEYCI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.302,230-032-2,7/05/6921,"3,3'-[(2,2-dimethylpropane-1,3-diyl)bis(oxy)]bispropylamine","3,3'-[(2,2-dimethylpropane-1,3-diyl)bis(oxy)]dipropan-1-amine",CC(C)(COCCCN)COCCCN,CC(C)(COCCCN)COCCCN,"InChI=1/C11H26N2O2/c1-11(2,9-14-7-3-5-12)10-15-8-4-6-13/h3-10,12-13H2,1-2H3",C11H26N2O2,,,,,,USNBVHYUYWSPNK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.303,230-033-8,5/11/6921,"Ethyl 4,4-dinitrovalerate","ethyl 4,4-dinitropentanoate",CCOC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-],CCOC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H12N2O6/c1-3-15-6(10)4-5-7(2,8(11)12)9(13)14/h3-5H2,1-2H3",C7H12N2O6,,,,,,GERAAQRTSQGECN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.307,230-038-5,6921-29-5,Tris(propyn-2-yl)amine,"N,N-diprop-2-yn-1-ylprop-2-yn-1-amine",C#CCN(CC#C)CC#C,C#CCN(CC#C)CC#C,"InChI=1/C9H9N/c1-4-7-10(8-5-2)9-6-3/h1-3H,7-9H2",C9H9N,,,,,,ZHOBJWVNWMQMLF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.165,215-580-2,1333-17-1,Tetramethyldecynediol,"5,5,6-trimethylundec-3-yne-2,2-diol",CCCCCC(C)C(C)(C)C#CC(C)(O)O,CCCCCC(C)C(C)(C)C#CC(C)(O)O,"InChI=1/C14H26O2/c1-6-7-8-9-12(2)13(3,4)10-11-14(5,15)16/h12,15-16H,6-9H2,1-5H3",C14H26O2,,,,,,AGGCEDYMGLPKNS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.166,215-581-8,1333-21-7,Tris(dinonylphenyl) phosphite,"tris(2,3-dinonylphenyl) phosphite",CCCCCCCCCc1cccc(OP(Oc2cccc(CCCCCCCCC)c2CCCCCCCCC)Oc3cccc(CCCCCCCCC)c3CCCCCCCCC)c1CCCCCCCCC,CCCCCCCCCc1cccc(OP(Oc2cccc(CCCCCCCCC)c2CCCCCCCCC)Oc3cccc(CCCCCCCCC)c3CCCCCCCCC)c1CCCCCCCCC,"InChI=1/C72H123O3P/c1-7-13-19-25-31-37-43-52-64-55-49-61-70(67(64)58-46-40-34-28-22-16-10-4)73-76(74-71-62-50-56-65(53-44-38-32-26-20-14-8-2)68(71)59-47-41-35-29-23-17-11-5)75-72-63-51-57-66(54-45-39-33-27-21-15-9-3)69(72)60-48-42-36-30-24-18-12-6/h49-51,55-57,61-63H,7-48,52-54,58-60H2,1-6H3",C72H123O3P,,,,,,ISQOOBRCAAIWNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.168,215-583-9,1333-28-4,Undecenoic acid,undec-2-enoic acid,OC(=O)C=CCCCCCCCC,OC(=O)C=CCCCCCCCC,"InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)",C11H20O2,,,,,,IGBBVTAVILYDIO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.176,215-592-8,1333-47-7,Methyl-2-benzopyrone,6-methyl-2H-chromen-2-one,Cc1ccc2OC(=O)C=Cc2c1,Cc1ccc2OC(=O)C=Cc2c1,"InChI=1/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3",C10H8O2,,,,,,FXFYOPQLGGEACP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.181,215-598-0,1333-58-0,(isobutyl)quinoline,2-isobutylquinoline,CC(C)Cc1ccc2ccccc2n1,CC(C)Cc1ccc2ccccc2n1,"InChI=1/C13H15N/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12/h3-8,10H,9H2,1-2H3",C13H15N,,,,,,FAQVGPWFQGGIPP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.186,215-604-1,1333-73-9,"Boric acid, sodium salt",sodium dihydrogen borate,[Na+].OB(O)[O-],[Na+].OB(O)[O-],InChI=1/BH2O3.Na/c2-1(3)4;/h2-3H;/q-1;+1,-,,,,,,WBQSJYNAUANADO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.187,215-605-7,1333-74-0,Hydrogen,hydrogen(1+),[H][H],[H][H],InChI=1/H2/h1H,H2,,,,,,UFHFLCQGNIYNRP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.190,215-608-3,1333-83-1,Sodium hydrogendifluoride,sodium fluoride,F[Na],F[Na],InChI=1/FH.Na/h1H;/q;+1/p-1,F2HNa,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5884,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.190,PUZPDOWCWNUUKD-UHFFFAOYSA-M,,,,,,,,,,,
100.014.202,215-621-4,1335-12-2,Phenylpropanol,1-phenylpropan-1-ol,CCC(O)c1ccccc1,CCC(O)c1ccccc1,"InChI=1/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3",C9H12O,,,,,,DYUQAZSOFZSPHD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.210,215-630-3,1335-32-6,"Lead, bis(acetato-O)tetrahydroxytri-",-,[OH-].[OH-].[OH-].[OH-].[Pb+2].[Pb+2].[Pb+2].CC(=O)[O-].CC(=O)[O-],[OH-].[OH-].[OH-].[OH-].[Pb+2].[Pb+2].[Pb+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.4H2O.3Pb.6H/c2*1-2(3)4;;;;;;;;;;;;;/h2*1H3,(H,3,4);4*1H2;;;;;;;;;/q;;;;;;3*+4;;;;;;/p-6/r2C2H4O2.4H2O.3H2Pb/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);7*1H2/q;;;;;;3*+4/p-6",C4H10O8Pb3,,,,,,VLOJXAQYHIVPFI-UHFFFAOYSA-H,,,,,,,,,,,
100.014.211,215-631-9,1335-40-6,Ethyl furoate,ethyl 2-furoate,CCOC(=O)c1occc1,CCOC(=O)c1occc1,"InChI=1/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3",C7H8O3,,,,,,NHXSTXWKZVAVOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.500,214-850-7,1200-07-3,p-bromocinnamic acid,3-(4-bromophenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(Br)cc1,OC(=O)\C=C\c1ccc(Br)cc1,"InChI=1/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)",C9H7BrO2,,,,,,CPDDDTNAMBSPRN-ZZXKWVIFSA-N,,,,,,,,,,,
100.013.505,214-855-4,1201-26-9,1-(1H-indol-3-yl)acetone,1-(1H-indol-3-yl)acetone,CC(=O)Cc1c[nH]c2ccccc12,CC(=O)Cc1c[nH]c2ccccc12,"InChI=1/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3",C11H11NO,,,,,,LDVHYJKRIKBISQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.508,214-859-6,1201-56-5,"(R*,S*)-(±)-a-[1-(dimethylamino)ethyl]benzyl alcohol",2-(dimethylamino)-1-phenylpropan-1-ol,CC(C(O)c1ccccc1)N(C)C,CC(C(O)c1ccccc1)N(C)C,"InChI=1/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3",C11H17NO,,,,,,FMCGSUUBYTWNDP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.510,214-861-7,1202-04-6,Methyl 1H-indole-2-carboxylate,methyl 1H-indole-2-carboxylate,COC(=O)c1cc2ccccc2[nH]1,COC(=O)c1cc2ccccc2[nH]1,"InChI=1/C10H9NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-6,11H,1H3",C10H9NO2,,,,,,NQPIEWBAWBFGOB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.538,230-291-1,7011-83-8,5-hexyldihydro-5-methylfuran-2(3H)-one,5-hexyl-5-methyldihydrofuran-2(3H)-one,CCCCCCC1(C)CCC(=O)O1,CCCCCCC1(C)CCC(=O)O1,"InChI=1/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3",C11H20O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18455,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.538,ALWUKGXLBSQSMA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.540,230-293-2,7012-37-5,"2,4,4'-trichlorobiphenyl","2,4,4'-trichlorobiphenyl",Clc1ccc(cc1)c2ccc(Cl)cc2Cl,Clc1ccc(cc1)c2ccc(Cl)cc2Cl,InChI=1/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,C12H7Cl3,,,,,,BZTYNSQSZHARAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.542,230-295-3,7013-16-3,"9-ß-D-arabinofuranosyl-1,9-dihydro-6H-purin-6-one","9-beta-D-arabinofuranosyl-1,9-dihydro-6H-purin-6-one",OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23,OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23,"InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)",C10H12N4O5,,,,,,UGQMRVRMYYASKQ-UHTZMRCNSA-N,,,,,,,,,,,
100.027.543,230-296-9,1/12/7017,N-(3-chloro-p-tolyl)butyramide,N-(3-chloro-4-methylphenyl)butanamide,CCCC(=O)Nc1ccc(C)c(Cl)c1,CCCC(=O)Nc1ccc(C)c(Cl)c1,"InChI=1/C11H14ClNO/c1-3-4-11(14)13-9-6-5-8(2)10(12)7-9/h5-7H,3-4H2,1-2H3,(H,13,14)",C11H14ClNO,,,,,,CMVIYVQUKDZLRB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.544,230-297-4,7018-92-0,"Undecane-2,5-dione","undecane-2,5-dione",CCCCCCC(=O)CCC(=O)C,CCCCCCC(=O)CCC(=O)C,"InChI=1/C11H20O2/c1-3-4-5-6-7-11(13)9-8-10(2)12/h3-9H2,1-2H3",C11H20O2,,,,,,ZHMCDZHVHDFSHO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.545,230-299-5,7020-50-0,"(20ß)-3,11-dioxoolean-12-en-29-oic acid","3,11-dioxoolean-12-en-29-oic acid",CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)[C@@]2(C)CCC1=O,CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)[C@@]2(C)CCC1=O,"InChI=1/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)",C30H44O4,,,,,,QGWDYPREORDRIT-ZUZOHOKMSA-N,,,,,,,,,,,
100.027.556,230-311-9,7034-04-0,"Dodecahydro-2,5,8-trimethyl-1,4,7,9b-tetraazaphenalene","2,5,8-trimethyldodecahydro-1,4,7,9b-tetraazaphenalene",CC1CC2NC(C)CC3NC(C)CC(N1)N23,CC1CC2NC(C)CC3NC(C)CC(N1)N23,"InChI=1/C12H24N4/c1-7-4-10-14-9(3)6-12-15-8(2)5-11(13-7)16(10)12/h7-15H,4-6H2,1-3H3",C12H24N4,,,,,,MZEWYVRDJISVSS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.557,230-312-4,1/02/7035,2-(chloromethyl)anisole,1-(chloromethyl)-2-methoxybenzene,COc1ccccc1CCl,COc1ccccc1CCl,"InChI=1/C8H9ClO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3",C8H9ClO,,,,,,UAWVMPOAIVZWFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.559,230-315-0,7036-16-0,Ethyl (±)-N-[1-(4-fluorophenyl)ethyl]-N-formylaminoacetate,ethyl N-[1-(4-fluorophenyl)ethyl]-N-formylglycinate,CCOC(=O)CN(C=O)C(C)c1ccc(F)cc1,CCOC(=O)CN(C=O)C(C)c1ccc(F)cc1,"InChI=1/C13H16FNO3/c1-3-18-13(17)8-15(9-16)10(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8H2,1-2H3",C13H16FNO3,,,,,,JIXJQIMECGPEGT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.562,230-318-7,7037-49-2,Piperidine-4-propanol,3-piperidin-4-ylpropan-1-ol,OCCCC1CCNCC1,OCCCC1CCNCC1,"InChI=1/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2",C8H17NO,,,,,,DBIMLJDSPUCGGY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.567,230-323-4,7045-71-8,2-methylundecane,2-methylundecane,CCCCCCCCCC(C)C,CCCCCCCCCC(C)C,"InChI=1/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3",C12H26,,,,,,GTJOHISYCKPIMT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.568,230-325-5,7047-84-9,Dihydroxyaluminium stearate,dihydroxyaluminum(1+) stearate,CCCCCCCCCCCCCCCCCC(=O)[O-].O[Al+]O,CCCCCCCCCCCCCCCCCC(=O)[O-].O[Al+]O,"InChI=1/C18H36O2.Al.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;2*1H2/q;+3;;/p-3/rC18H36O2.AlH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1-3/h2-17H2,1H3,(H,19,20);2-3H/q;+1/p-1",C18H37AlO4,,,,,,UGMCXQCYOVCMTB-UHFFFAOYSA-K,,,,,,,,,,,
100.027.569,230-326-0,7047-99-6,"Oxalic acid, cerium salt",-,[Ce+3].[O-]C(=O)C(=O)[O-],[Ce+3].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Ce/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+3/p-2",C2H2O4.xCe,,,,,,YYVOHBYHFNEIHU-UHFFFAOYSA-L,,,,,,,,,,,
100.027.570,230-327-6,7048-26-2,"Thiocyanic acid, compound with 2,2',2''-nitrilotris[ethanol] (1:1)","2,2',2''-nitrilotriethanol thiocyanate (salt)",OCCN(CCO)CCO.SC#N,OCCN(CCO)CCO.SC#N,"InChI=1/C6H15NO3.CHNS/c8-4-1-7(2-5-9)3-6-10;2-1-3/h8-10H,1-6H2;3H",C6H15NO3.CHNS,,,,,,VTKGGWOFETWPBG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.572,230-329-7,7050-19-3,"Citric acid, ammonium iron salt",ammonium iron(2+) citrate,[NH4+].[Fe+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[Fe+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+2;/p-2",C6H8O7.xFe.xH3N,,,,,,GLMQHZPGHAPYIO-UHFFFAOYSA-L,,,,,,,,,,,
100.024.281,226-709-7,5454-83-1,Methyl 5-bromovalerate,methyl 5-bromopentanoate,COC(=O)CCCCBr,COC(=O)CCCCBr,"InChI=1/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3",C6H11BrO2,,,,,,RAVVJKCSZXAIQP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.177,210-094-7,605-70-9,"Naphthalene-1,4-dicarboxylic acid","naphthalene-1,4-dicarboxylic acid",OC(=O)c1ccc(C(=O)O)c2ccccc12,OC(=O)c1ccc(C(=O)O)c2ccccc12,"InChI=1/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)",C12H8O4,,,,,,ABMFBCRYHDZLRD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.179,210-096-8,605-81-2,"Methyl 2,3,4,6-tetra-O-methyl-a-D-glucopyranoside","methyl 2,3,4,6-tetra-O-methyl-alpha-D-glucopyranoside",COC[C@H]1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1OC,COC[C@H]1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1OC,"InChI=1/C11H22O6/c1-12-6-7-8(13-2)9(14-3)10(15-4)11(16-5)17-7/h7-11H,6H2,1-5H3",C11H22O6,,,,,,ZYGZAHUNAGVTEC-NZFPMDFQSA-N,,,,,,,,,,,
100.009.181,210-098-9,605-89-0,"1,5-naphthylene di(acetate)","naphthalene-1,5-diyl diacetate",CC(=O)Oc1cccc2c(OC(=O)C)cccc12,CC(=O)Oc1cccc2c(OC(=O)C)cccc12,"InChI=1/C14H12O4/c1-9(15)17-13-7-3-6-12-11(13)5-4-8-14(12)18-10(2)16/h3-8H,1-2H3",C14H12O4,,,,,,OZXMAFKBBGXKSP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.184,210-101-3,605-99-2,"4,9-dihydro-3-methyl-1H-purine-2,6,8(3H)-trione","3-methyl-4,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C2NC(=O)N=C2C(=O)NC1=O,CN1C2NC(=O)N=C2C(=O)NC1=O,"InChI=1/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h3H,1H3,(H,8,12)(H,9,11,13)",C6H6N4O3,,,,,,MMZXKYHDZDOYOG-UHFFFAOYSA-N,,,,,,,,,,,
100.009.186,210-103-4,606-04-2,2-amino-2-methylpropanol 8-bromotheophyllinate,"8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-amino-2-methylpropan-1-ol (1:1)",CN1C(=O)N(C)c2[nH]c(Br)nc2C1=O.CC(C)(N)CO,CN1C(=O)N(C)c2[nH]c(Br)nc2C1=O.CC(C)(N)CO,"InChI=1/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3",C7H7BrN4O2.C4H11NO,,,,,,ATOTUUBRFJHZQG-UHFFFAOYSA-N,,,,,,,,,,,
100.007.419,208-160-5,513-38-2,1-iodo-2-methylpropane,1-iodo-2-methylpropane,CC(C)CI,CC(C)CI,"InChI=1/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3",C4H9I,,,,,,BTUGGGLMQBJCBN-UHFFFAOYSA-N,,,,,,,,,,,
100.007.420,208-161-0,513-42-8,2-methylprop-2-en-1-ol,2-methylprop-2-en-1-ol,CC(=C)CO,CC(=C)CO,"InChI=1/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3",C4H8O,,,,,,BYDRTKVGBRTTIT-UHFFFAOYSA-N,,,,,,,,,,,
100.007.423,208-164-7,513-49-5,(S)-sec-butylamine,butan-2-amine,CC[C@H](C)N,CC[C@H](C)N,"InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3",C4H11N,,,,,,BHRZNVHARXXAHW-BYPYZUCNSA-N,,,,,,,,,,,
100.007.425,208-166-8,513-74-6,Ammonium dithiocarbamate,ammonium dithiocarbamate,[NH4+].NC(=S)[S-],[NH4+].NC(=S)[S-],"InChI=1/CH3NS2.H3N/c2-1(3)4;/h(H3,2,3,4);1H3",CH3NS2.H3N,,,,,,DCYNAHFAQKMWDW-UHFFFAOYSA-N,,,,,,,,,,,
100.007.429,208-171-5,513-80-4,Urea oxalate,urea oxalate,NC(=O)N.OC(=O)C(=O)O,NC(=O)N.OC(=O)C(=O)O,"InChI=1/C2H2O4.CH4N2O/c3-1(4)2(5)6;2-1(3)4/h(H,3,4)(H,5,6);(H4,2,3,4)",C2H2O4.CH4N2O,,,,,,YBSLUBPQYDULIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.436,208-178-3,514-10-3,Abietic acid,"abieta-7,13-dien-18-oic acid",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,"InChI=1/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)",C20H30O2,,,,,,RSWGJHLUYNHPMX-ONCXSQPRSA-N,,,,,,,,,,,
100.007.444,208-187-2,514-78-3,Canthaxanthin,"beta,beta-carotene-4,4'-dione",CC2(C)CCC(=O)C(\\C)=C2\\C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C\\C1=C(/C)C(=O)CCC1(C)C,CC2(C)CCC(=O)C(\C)=C2\C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C\C1=C(/C)C(=O)CCC1(C)C,"InChI=1/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3",C40H52O2,,,,,,FDSDTBUPSURDBL-UHFFFAOYSA-N,,,,,,,,,,,
100.007.457,208-201-7,515-49-1,Sulfathiourea,4-amino-N-carbamothioylbenzenesulfonamide,NC(=S)NS(=O)(=O)c1ccc(N)cc1,NC(=S)NS(=O)(=O)c1ccc(N)cc1,"InChI=1/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)",C7H9N3O2S2,,,,,,UEMLYRZWLVXWRU-UHFFFAOYSA-N,,,,,,,,,,,
100.007.461,208-205-9,515-69-5,"(R*,R*)-a,4-dimethyl-a-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol",6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol,CC(=CCCC(C)(O)C1CCC(=CC1)C)C,CC(=CCCC(C)(O)C1CCC(=CC1)C)C,"InChI=1/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3",C15H26O,,,,,,RGZSQWQPBWRIAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.465,208-210-6,515-82-2,"N-(2,2,2-trichloro-1-hydroxyethyl)formamide","N-(2,2,2-trichloro-1-hydroxyethyl)formamide",OC(NC=O)C(Cl)(Cl)Cl,OC(NC=O)C(Cl)(Cl)Cl,"InChI=1/C3H4Cl3NO2/c4-3(5,6)2(9)7-1-8/h1-2,9H,(H,7,8)",C3H4Cl3NO2,,,,,,ACZVWYLTJHGUCP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.468,208-213-2,515-96-8,Aminooxamide,2-hydrazino-2-oxoacetamide,NNC(=O)C(=O)N,NNC(=O)C(=O)N,"InChI=1/C2H5N3O2/c3-1(6)2(7)5-4/h4H2,(H2,3,6)(H,5,7)",C2H5N3O2,,,,,,MOKRDWKSHLLYKM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.975,230-773-1,7313-70-4,"2,3-dioxoindoline-5-sulphonic acid","2,3-dioxoindoline-5-sulfonic acid",OS(=O)(=O)c1ccc2NC(=O)C(=O)c2c1,OS(=O)(=O)c1ccc2NC(=O)C(=O)c2c1,"InChI=1/C8H5NO5S/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11/h1-3H,(H,9,10,11)(H,12,13,14)",C8H5NO5S,,,,,,UBHYCFBVIXOJJO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.977,230-775-2,7314-44-5,"2,4-dimethoxybenzyl alcohol","(2,4-dimethoxyphenyl)methanol",COc1ccc(CO)c(OC)c1,COc1ccc(CO)c(OC)c1,"InChI=1/C9H12O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3",C9H12O3,,,,,,RNKOUSCCPHSCFE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.978,230-776-8,7314-47-8,Sodium 2-(4-chlorophenoxy)-2-methylpropionate,sodium 2-(4-chlorophenoxy)-2-methylpropanoate,[Na+].CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],[Na+].CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],"InChI=1/C10H11ClO3.Na/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;/h3-6H,1-2H3,(H,12,13);/q;+1/p-1",C10H11ClO3.Na,,,,,,MAUQVQSXTOZPSX-UHFFFAOYSA-M,,,,,,,,,,,
100.027.980,230-778-9,7316-37-2,"Diethyl 2,3-epoxypropylphosphonate",diethyl (oxiran-2-ylmethyl)phosphonate,CCOP(=O)(CC1CO1)OCC,CCOP(=O)(CC1CO1)OCC,"InChI=1/C7H15O4P/c1-3-10-12(8,11-4-2)6-7-5-9-7/h7H,3-6H2,1-2H3",C7H15O4P,,,,,,FUKXIMRHLZJUCG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.983,230-782-0,7318-00-5,Ethyl 3-aminocrotonate,ethyl 3-aminobut-2-enoate,CCOC(=O)\\C=C(\\C)/N,CCOC(=O)\C=C(\C)/N,"InChI=1/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3",C6H11NO2,,,,,,YPMPTULBFPFSEQ-PLNGDYQASA-N,,,,,,,,,,,
100.027.987,230-786-2,7320-37-8,Tetradecyloxirane,2-tetradecyloxirane,CCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCC1CO1,"InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3",C16H32O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11256,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.987,DSZTYVZOIUIIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.988,230-787-8,7320-45-8,"Sodium 1,4-diethyl sulphonatosuccinate","sodium 1,4-diethoxy-1,4-dioxobutane-2-sulfonate",[Na+].[O-]S(=O)(=O)C(CC(=O)OCC)C(=O)OCC,[Na+].[O-]S(=O)(=O)C(CC(=O)OCC)C(=O)OCC,"InChI=1/C8H14O7S.Na/c1-3-14-7(9)5-6(16(11,12)13)8(10)15-4-2;/h6H,3-5H2,1-2H3,(H,11,12,13);/q;+1/p-1",C8H14O7S.Na,,,,,,RIGUOXLGNYMESN-UHFFFAOYSA-M,,,,,,,,,,,
100.027.989,230-788-3,7320-50-5,1-methyldibenzofuran,"1-methyldibenzo[b,d]furan",Cc1cccc2oc3ccccc3c12,Cc1cccc2oc3ccccc3c12,"InChI=1/C13H10O/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8H,1H3",C13H10O,,,,,,GGXKQILBNJUKSH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.996,230-796-7,9/02/7324,Allyl 2-cyanoacrylate,allyl 2-cyanoacrylate,C=CCOC(=O)C(=C)C#N,C=CCOC(=O)C(=C)C#N,"InChI=1/C7H7NO2/c1-3-4-10-7(9)6(2)5-8/h3H,1-2,4H2",C7H7NO2,,,,,,ITCZEZQMUWEPQP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.998,230-798-8,7324-77-8,"Dodecyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate","dodecyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dien-1-oate",CCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCC,"InChI=1/2C16H28O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;2*1-3-5-7-8-6-4-2;/h2*12-13H,2-11,14H2,1H3,(H,17,18);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC48H88O8Sn/c1-5-9-13-17-21-23-25-27-29-33-41-53-45(49)37-39-47(51)55-57(43-35-31-19-15-11-7-3,44-36-32-20-16-12-8-4)56-48(52)40-38-46(50)54-42-34-30-28-26-24-22-18-14-10-6-2/h37-40H,5-36,41-44H2,1-4H3",C48H88O8Sn,,,,,,OWDPVSGEPJRRNV-NUJFUEHTSA-L,,,,,,,,,,,
100.029.125,232-038-0,7783-96-2,Silver iodide,silver(1+) iodide,[Ag+].[I-],[Ag+].[I-],InChI=1/Ag.HI/h;1H/q+1;/p-1,AgI,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5304,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.125,MSFPLIAKTHOCQP-UHFFFAOYSA-M,,,,,,,,,,,
100.029.126,232-039-6,7783-97-3,Silver iodate,silver(1+) iodate,[Ag+].[O-]I(=O)=O,[Ag+].[O-]I(=O)=O,"InChI=1/Ag.HIO3/c;2-1(3)4/h;(H,2,3,4)/q+1;/p-1",Ag.HIO3,,,,,,YSVXTGDPTJIEIX-UHFFFAOYSA-M,,,,,,,,,,,
100.029.128,232-041-7,7783-99-5,Silver nitrite,silver(1+) nitrite,[Ag+].[O-]N=O,[Ag+].[O-]N=O,"InChI=1/Ag.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",Ag.HNO2,,,,,,KKKDGYXNGYJJRX-UHFFFAOYSA-M,,,,,,,,,,,
100.029.133,232-046-4,6/05/7784,Disilver selenite,disilver(1+) selenite,[Ag+].[Ag+].[O-][Se](=O)[O-],[Ag+].[Ag+].[O-][Se](=O)[O-],"InChI=1/2Ag.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",Ag.1/2H2O3Se,,,,,,WQIJNCUKAOHNPM-UHFFFAOYSA-L,,,,,,,,,,,
100.023.949,226-344-3,5/06/5358,"Methyl 2,3,4,5-tetrachloro-6-cyanobenzoate","methyl 2,3,4,5-tetrachloro-6-cyanobenzoate",COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C#N,COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C#N,InChI=1/C9H3Cl4NO2/c1-16-9(15)4-3(2-14)5(10)7(12)8(13)6(4)11/h1H3,C9H3Cl4NO2,,,,,,XYQXGZLLGNQFSL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.951,226-346-4,6/07/5360,3-(ethoxydimethylsilyl)propiononitrile,3-[ethoxy(dimethyl)silyl]propanenitrile,CCO[Si](C)(C)CCC#N,CCO[Si](C)(C)CCC#N,"InChI=1/C7H15NOSi/c1-4-9-10(2,3)7-5-6-8/h4-5,7H2,1-3H3",C7H15NOSi,,,,,,MOIYHLPBTJONEP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.953,226-349-0,5363-54-2,p-formylbenzenesulphonic acid,4-formylbenzenesulfonic acid,OS(=O)(=O)c1ccc(C=O)cc1,OS(=O)(=O)c1ccc(C=O)cc1,"InChI=1/C7H6O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-5H,(H,9,10,11)",C7H6O4S,,,,,,XSAOGXMGZVFIIE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.511,214-862-2,1202-08-0,5'-isopropyl-2'-methylacetophenone,1-(5-isopropyl-2-methylphenyl)ethanone,CC(C)c1ccc(C)c(c1)C(=O)C,CC(C)c1ccc(C)c(c1)C(=O)C,"InChI=1/C12H16O/c1-8(2)11-6-5-9(3)12(7-11)10(4)13/h5-8H,1-4H3",C12H16O,,,,,,LVNVQCXLRILPCM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.526,214-879-5,1205-02-3,N-benzoyl-DL-alanine,N-benzoyl-L-alanine,O=C(N[C@@H](C)C(O)=O)c1ccccc1,O=C(N[C@@H](C)C(O)=O)c1ccccc1,"InChI=1/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)",C10H11NO3,,,,,,UAQVHNZEONHPQG-ZETCQYMHSA-N,,,,,,,,,,,
100.013.528,214-881-6,1205-17-0,"a-methyl-1,3-benzodioxole-5-propionaldehyde","3-(1,3-benzodioxol-5-yl)-2-methylpropanal",CC(Cc1ccc2OCOc2c1)C=O,CC(Cc1ccc2OCOc2c1)C=O,"InChI=1/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3",C11H12O3,,,,,,BOPPSUHPZARXTH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.532,214-885-8,1205-64-7,N-phenyl-m-toluidine,3-methyl-N-phenylaniline,Cc1cccc(Nc2ccccc2)c1,Cc1cccc(Nc2ccccc2)c1,"InChI=1/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3",C13H13N,,,,,,TWPMMLHBHPYSMT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.533,214-886-3,1205-72-7,4-ammonio-1-benzylpiperidinium dichloride,4-ammonio-1-benzylpiperidinium dichloride,[Cl-].[Cl-].[NH3+]C1CC[NH+](Cc2ccccc2)CC1,[Cl-].[Cl-].[NH3+]C1CC[NH+](Cc2ccccc2)CC1,"InChI=1/C12H18N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12H,6-10,13H2;2*1H",C12H18N2.2ClH,,,,,,RDEUNWFXSVDHCI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.538,214-892-6,1206-86-6,1-[(3-hydroxy-2-pyridyl)carbonyl]piperidine,2-(piperidin-1-ylcarbonyl)pyridin-3-ol,Oc1cccnc1C(=O)N2CCCCC2,Oc1cccnc1C(=O)N2CCCCC2,"InChI=1/C11H14N2O2/c14-9-5-4-6-12-10(9)11(15)13-7-2-1-3-8-13/h4-6,14H,1-3,7-8H2",C11H14N2O2,,,,,,LSEHTNHVLNXOKW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.539,214-893-1,1206-87-7,4-[(3-hydroxy-2-pyridyl)carbonyl]morpholine,2-(morpholin-4-ylcarbonyl)pyridin-3-ol,Oc1cccnc1C(=O)N2CCOCC2,Oc1cccnc1C(=O)N2CCOCC2,"InChI=1/C10H12N2O3/c13-8-2-1-3-11-9(8)10(14)12-4-6-15-7-5-12/h1-3,13H,4-7H2",C10H12N2O3,,,,,,UJSXQDGMTOJTDL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.546,214-900-8,1208-52-2,"2,4'-methylenedianiline",2-(4-aminobenzyl)aniline,Nc1ccc(Cc2ccccc2N)cc1,Nc1ccc(Cc2ccccc2N)cc1,"InChI=1/C13H14N2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8H,9,14-15H2",C13H14N2,,,,,,UTNMPUFESIRPQP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.648,226-012-8,8/07/5219,2-(4-chlorophenyl)-3-oxobutyronitrile,2-(4-chlorophenyl)-3-oxobutanenitrile,CC(=O)C(C#N)c1ccc(Cl)cc1,CC(=O)C(C#N)c1ccc(Cl)cc1,"InChI=1/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3",C10H8ClNO,,,,,,IPBZEJZUAZXNOS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.651,226-015-4,5221-16-9,Potassium 4-chloro-o-tolyloxyacetate,potassium (4-chloro-2-methylphenoxy)acetate,[K+].Cc1cc(Cl)ccc1OCC(=O)[O-],[K+].Cc1cc(Cl)ccc1OCC(=O)[O-],"InChI=1/C9H9ClO3.K/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1",C9H9ClO3.K,,,,,,ORHJUFUQMQEFPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.023.652,226-017-5,5221-17-0,"2,3-dibromopropionaldehyde","2,3-dibromopropanal",BrCC(Br)C=O,BrCC(Br)C=O,"InChI=1/C3H4Br2O/c4-1-3(5)2-6/h2-3H,1H2",C3H4Br2O,,,,,,ZMDDOWQHSDJXDW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.656,226-021-7,5221-53-4,Dimethirimol,5-butyl-2-(dimethylamino)-6-methylpyrimidin-4-ol,CCCCc1c(C)nc(nc1O)N(C)C,CCCCc1c(C)nc(nc1O)N(C)C,"InChI=1/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)",C11H19N3O,,,,,,CJHXCRMKMMBYJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.659,226-024-3,3/06/5223,5-ethylpyridine-2-ethanol,2-(5-ethylpyridin-2-yl)ethanol,CCc1ccc(CCO)nc1,CCc1ccc(CCO)nc1,"InChI=1/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3",C9H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17218,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.659,OUJMXIPHUCDRAS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.666,226-032-7,5235-21-2,tert-butyl L-tryptophyl-L-methionyl-L-a-aspartyl-3-phenyl-L-alaninamidoformate,N-(tert-butoxycarbonyl)tryptophylmethionyl-alpha-aspartylphenylalaninamide,CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,"InChI=1/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)",C34H44N6O8S,,,,,,DDROKKYSSQPXQO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.675,226-042-1,5241-64-5,N-[(tert-butoxy)carbonyl]-D-tryptophan,N-(tert-butoxycarbonyl)-D-tryptophan,CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)",C16H20N2O4,,,,,,NFVNYBJCJGKVQK-CYBMUJFWSA-N,,,,,,,,,,,
100.023.682,226-050-5,5247-85-8,"2H-naphtho[1,8-bc]furan-2-one","2H-naphtho[1,8-bc]furan-2-one",O=C1Oc2cccc3cccc1c23,O=C1Oc2cccc3cccc1c23,InChI=1/C11H6O2/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,C11H6O2,,,,,,QGYVYNJHKNNLFL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.286,226-714-4,5456-33-7,2-phenylethyl phenoxyacetate,2-phenylethyl phenoxyacetate,O=C(COc1ccccc1)OCCc2ccccc2,O=C(COc1ccccc1)OCCc2ccccc2,"InChI=1/C16H16O3/c17-16(13-19-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2",C16H16O3,,,,,,UOUUDTUSCBNFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.290,226-719-1,5457-86-3,"1,3-benzodioxol-5-ylmethyl phenylacetate","1,3-benzodioxol-5-ylmethyl phenylacetate",O=C(Cc1ccccc1)OCc2ccc3OCOc3c2,O=C(Cc1ccccc1)OCc2ccc3OCOc3c2,"InChI=1/C16H14O4/c17-16(9-12-4-2-1-3-5-12)18-10-13-6-7-14-15(8-13)20-11-19-14/h1-8H,9-11H2",C16H14O4,,,,,,DJSPWYDFRGZDHB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.291,226-720-7,5458-48-0,1-cyclohexyl-4-nitrobenzene,1-cyclohexyl-4-nitrobenzene,[O-][N+](=O)c1ccc(cc1)C2CCCCC2,[O-][N+](=O)c1ccc(cc1)C2CCCCC2,"InChI=1/C12H15NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2",C12H15NO2,,,,,,FUVKJYZTELKRRB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.292,226-721-2,5458-59-3,Isopropyl octanoate,isopropyl octanoate,CCCCCCCC(=O)OC(C)C,CCCCCCCC(=O)OC(C)C,"InChI=1/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3",C11H22O2,,,,,,WCGIIHOFOFCKSM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.293,226-722-8,5458-64-0,"Isopropyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","isopropyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(C)OC(=O)C1C(C=C(C)C)C1(C)C,CC(C)OC(=O)C1C(C=C(C)C)C1(C)C,"InChI=1/C13H22O2/c1-8(2)7-10-11(13(10,5)6)12(14)15-9(3)4/h7,9-11H,1-6H3",C13H22O2,,,,,,KTDHAAMLKPAGNH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.294,226-723-3,5458-76-4,"2,2'-[(4-methyl-1,2-phenylene)bis(oxy)]bisacetic acid","2,2'-[(4-methyl-1,2-phenylene)bis(oxy)]diacetic acid",Cc1ccc(OCC(=O)O)c(OCC(=O)O)c1,Cc1ccc(OCC(=O)O)c(OCC(=O)O)c1,"InChI=1/C11H12O6/c1-7-2-3-8(16-5-10(12)13)9(4-7)17-6-11(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)",C11H12O6,,,,,,XNWHXCLJBFNQDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.299,226-729-6,5459-40-5,p-vinylphenetole,1-ethoxy-4-vinylbenzene,CCOc1ccc(C=C)cc1,CCOc1ccc(C=C)cc1,"InChI=1/C10H12O/c1-3-9-5-7-10(8-6-9)11-4-2/h3,5-8H,1,4H2,2H3",C10H12O,,,,,,OBRYRJYZWVLVLF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.300,226-730-1,5459-58-5,Butyl cyanoacetate,butyl cyanoacetate,CCCCOC(=O)CC#N,CCCCOC(=O)CC#N,"InChI=1/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3",C7H11NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16479,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.300,DJACTCNGCHPGOI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.302,226-732-2,5459-68-7,2-bromoethyldimethylamine,"2-bromo-N,N-dimethylethanamine",CN(C)CCBr,CN(C)CCBr,"InChI=1/C4H10BrN/c1-6(2)4-3-5/h3-4H2,1-2H3",C4H10BrN,,,,,,LVCHXPHUKPLVRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.314,226-745-3,5/08/5461,"1,3-benzodioxol-5-ylmethyl isobutyrate","1,3-benzodioxol-5-ylmethyl 2-methylpropanoate",CC(C)C(=O)OCc1ccc2OCOc2c1,CC(C)C(=O)OCc1ccc2OCOc2c1,"InChI=1/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3",C12H14O4,,,,,,RQULTIASPCVEFO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.316,226-747-4,5461-65-4,"2-hexyl-2,4-dimethyl-1,3-dioxolane","2-hexyl-2,4-dimethyl-1,3-dioxolane",CCCCCCC1(C)OCC(C)O1,CCCCCCC1(C)OCC(C)O1,"InChI=1/C11H22O2/c1-4-5-6-7-8-11(3)12-9-10(2)13-11/h10H,4-9H2,1-3H3",C11H22O2,,,,,,JUESEMDRRNKFPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.325,226-757-9,5464-22-2,"Tetramethyl ethane-1,1,2,2-tetracarboxylate","tetramethyl ethane-1,1,2,2-tetracarboxylate",COC(=O)C(C(C(=O)OC)C(=O)OC)C(=O)OC,COC(=O)C(C(C(=O)OC)C(=O)OC)C(=O)OC,"InChI=1/C10H14O8/c1-15-7(11)5(8(12)16-2)6(9(13)17-3)10(14)18-4/h5-6H,1-4H3",C10H14O8,,,,,,YFBFTGJJUOXWIC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.330,226-763-1,5464-79-9,4-methoxybenzothiazol-2-ylamine,"4-methoxy-1,3-benzothiazol-2-amine",COc1cccc2sc(N)nc12,COc1cccc2sc(N)nc12,"InChI=1/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)",C8H8N2OS,,,,,,YEBCRAVYUWNFQT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.914,230-706-6,7283-69-4,Diisobutyl fumarate,diisobutyl but-2-enedioate,CC(C)COC(=O)\\C=C\\C(=O)OCC(C)C,CC(C)COC(=O)\C=C\C(=O)OCC(C)C,"InChI=1/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3",C12H20O4,,,,,,RSRICHZMFPHXLE-AATRIKPKSA-N,,,,,,,,,,,
100.027.915,230-707-1,7283-70-7,Diisopropyl fumarate,diisopropyl but-2-enedioate,CC(C)OC(=O)\\C=C\\C(=O)OC(C)C,CC(C)OC(=O)\C=C\C(=O)OC(C)C,"InChI=1/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3",C10H16O4,,,,,,FNMTVMWFISHPEV-AATRIKPKSA-N,,,,,,,,,,,
100.027.917,230-709-2,7284-18-6,"2-acetamido-4-O-(2-acetamido-2-deoxy-ß-D-glucopyranosyl)-2-deoxy-a-D-glucose 1,3,3',4',6,6'-hexaacetate","2-acetamido-4-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxyhexopyranosyl)-1,3,6-tri-O-acetyl-2-deoxyhexopyranose",CC(=O)NC1C(OC2C(COC(=O)C)OC(OC(=O)C)C(NC(=O)C)C2OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C,CC(=O)NC1C(OC2C(COC(=O)C)OC(OC(=O)C)C(NC(=O)C)C2OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C,"InChI=1/C28H40N2O17/c1-11(31)29-21-26(43-17(7)37)24(20(10-40-14(4)34)45-27(21)44-18(8)38)47-28-22(30-12(2)32)25(42-16(6)36)23(41-15(5)35)19(46-28)9-39-13(3)33/h19-28H,9-10H2,1-8H3,(H,29,31)(H,30,32)",C28H40N2O17,,,,,,JUYKRZRMNHWQCD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.926,230-719-7,7291-09-0,Vinylsilane,vinylsilane,[SiH3]C=C,[SiH3]C=C,"InChI=1/C2H6Si/c1-2-3/h2H,1H2,3H3",C2H6Si,,,,,,UKRDPEFKFJNXQM-UHFFFAOYSA-N,,,,,,,,,,,
100.008.268,209-093-4,555-35-1,Aluminium tripalmitate,aluminum trihexadecanoate,[Al+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C16H32O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3",C16H32O2.1/3Al,,,,,,PZWDHVKNXVLHOV-UHFFFAOYSA-K,,,,,,,,,,,
100.008.269,209-095-5,555-36-2,Iron tristearate,iron(3+) trioctadecanoate,[Fe+3].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O,[Fe+3].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O,"InChI=1/3C18H36O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H36O2.1/3Fe,,,,,,XHQSLVIGPHXVAK-UHFFFAOYSA-K,,,,,,,,,,,
100.008.271,209-097-6,555-43-1,Glycerol tristearate,"propane-1,2,3-triyl trioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3",C57H110O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12757,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.271,DCXXMTOCNZCJGO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.277,209-103-7,555-60-2,[(3-chlorophenyl)hydrazono]malononitrile,[(3-chlorophenyl)hydrazono]malononitrile,Clc1cccc(NN=C(C#N)C#N)c1,Clc1cccc(NN=C(C#N)C#N)c1,"InChI=1/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H",C9H5ClN4,,,,,,UGTJLJZQQFGTJD-UHFFFAOYSA-N,,,,,,,,,,,
100.008.278,209-104-2,555-68-0,m-nitrocinnamic acid,3-(3-nitrophenyl)acrylic acid,OC(=O)\\C=C\\c1cccc(c1)[N+](=O)[O-],OC(=O)\C=C\c1cccc(c1)[N+](=O)[O-],"InChI=1/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)",C9H7NO4,,,,,,WWXMVRYHLZMQIG-SNAWJCMRSA-N,,,,,,,,,,,
100.008.291,209-118-9,556-27-4,(S)-3-(allylsulphinyl)-L-alanine,3-(allylsulfinyl)-L-alanine,N[C@@H](CS(=O)CC=C)C(=O)O,N[C@@H](CS(=O)CC=C)C(=O)O,"InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",C6H11NO3S,,,,,,XUHLIQGRKRUKPH-ITZCMCNPSA-N,,,,,,,,,,,
100.008.305,209-134-6,556-64-9,Methyl thiocyanate,methyl thiocyanate,CSC#N,CSC#N,InChI=1/C2H3NS/c1-4-2-3/h1H3,C2H3NS,,,,,,VYHVQEYOFIYNJP-UHFFFAOYSA-N,,,,,,,,,,,
100.008.306,209-135-1,556-65-0,Lithium thiocyanate,lithium thiocyanate,[Li+].[S-]C#N,[Li+].[S-]C#N,InChI=1/CHNS.Li/c2-1-3;/h3H;/q;+1/p-1,CHNS.Li,,,,,,ZJZXSOKJEJFHCP-UHFFFAOYSA-M,,,,,,,,,,,
100.008.312,209-141-4,556-82-1,3-methylbut-2-en-1-ol,3-methylbut-2-en-1-ol,CC(=CCO)C,CC(=CCO)C,"InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",C5H10O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1947,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.312,ASUAYTHWZCLXAN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.630,207-292-0,459-56-3,4-fluorobenzylic alcohol,(4-fluorophenyl)methanol,OCc1ccc(F)cc1,OCc1ccc(F)cc1,"InChI=1/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",C7H7FO,,,,,,GEZMEIHVFSWOCA-UHFFFAOYSA-N,,,,,,,,,,,
100.006.633,207-295-7,459-60-9,4-fluoroanisole,1-fluoro-4-methoxybenzene,COc1ccc(F)cc1,COc1ccc(F)cc1,"InChI=1/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7FO,,,,,,VIPWUFMFHBIKQI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.635,207-297-8,459-72-3,Ethyl fluoroacetate,ethyl fluoroacetate,CCOC(=O)CF,CCOC(=O)CF,"InChI=1/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3",C4H7FO2,,,,,,VCYZVXRKYPKDQB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.637,207-299-9,459-80-3,"3,7-dimethylocta-2,6-dienoic acid","3,7-dimethylocta-2,6-dienoic acid",OC(=O)C=C(C)CC\\C=C(/C)C,OC(=O)C=C(C)CC\C=C(/C)C,"InChI=1/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)",C10H16O2,,,,,,ZHYZQXUYZJNEHD-UHFFFAOYSA-N,,,,,,,,,,,
100.006.642,207-304-4,460-16-2,1-chloro-2-fluoroethylene,1-chloro-2-fluoroethene,F\\C=C\\Cl,F\C=C\Cl,InChI=1/C2H2ClF/c3-1-2-4/h1-2H,C2H2ClF,,,,,,MTKHTBWXSHYCGS-OWOJBTEDSA-N,,,,,,,,,,,
100.006.652,207-315-4,461-81-4,1-chloro-4-(trifluoromethoxy)benzene,1-chloro-4-(trifluoromethoxy)benzene,FC(F)(F)Oc1ccc(Cl)cc1,FC(F)(F)Oc1ccc(Cl)cc1,"InChI=1/C7H4ClF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H",C7H4ClF3O,,,,,,SELFZOLQRDPBKC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.666,207-331-1,463-00-3,4-guanidinobutyric acid,4-carbamimidamidobutanoic acid,NC(=N)NCCCC(=O)O,NC(=N)NCCCC(=O)O,"InChI=1/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",C5H11N3O2,,,,,,TUHVEAJXIMEOSA-UHFFFAOYSA-N,Positive/Negative,ML001501,[M+H]+,HCD50,146.0921:87.0438:86.0599,MetaboLights,ML001551,[M-H]-,HCD50,102.056:144.0778:127.0512,MetaboLights
100.006.670,207-335-3,463-49-0,Allene,allene,C=C=C,C=C=C,InChI=1/C3H4/c1-3-2/h1-2H2,C3H4,,,,,,IYABWNGZIDDRAK-UHFFFAOYSA-N,,,,,,,,,,,
100.006.673,207-339-5,463-57-0,Methanediol,methanediol,OCO,OCO,"InChI=1/CH4O2/c2-1-3/h2-3H,1H2",CH4O2,,,,,,CKFGINPQOCXMAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.681,207-347-9,464-07-3,"3,3-dimethylbutan-2-ol","3,3-dimethylbutan-2-ol",CC(O)C(C)(C)C,CC(O)C(C)(C)C,"InChI=1/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3",C6H14O,,,,,,DFOXKPDFWGNLJU-UHFFFAOYSA-N,,,,,,,,,,,
100.009.213,210-133-8,607-32-9,5-nitroisoquinoline,5-nitroisoquinoline,[O-][N+](=O)c1cccc2cnccc12,[O-][N+](=O)c1cccc2cnccc12,InChI=1/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,C9H6N2O2,,,,,,PYGMPFQCCWBTJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.955,226-351-1,5363-69-9,Disodium methylenesuccinate,disodium 2-methylenesuccinate,[Na+].[Na+].[O-]C(=O)CC(=C)C(=O)[O-],[Na+].[Na+].[O-]C(=O)CC(=C)C(=O)[O-],"InChI=1/C5H6O4.2Na/c1-3(5(8)9)2-4(6)7;;/h1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C5H6O4.2Na,,,,,,IZZSMHVWMGGQGU-UHFFFAOYSA-L,,,,,,,,,,,
100.023.966,226-363-7,5370-25-2,1-(5-bromo-2-thienyl)ethan-1-one,1-(5-bromo-2-thienyl)ethanone,CC(=O)c1ccc(Br)s1,CC(=O)c1ccc(Br)s1,"InChI=1/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3",C6H5BrOS,,,,,,IGBZCOWXSCWSHO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.967,226-364-2,5372-81-6,Dimethyl 2-aminoterephthalate,dimethyl 2-aminoterephthalate,COC(=O)c1ccc(C(=O)OC)c(N)c1,COC(=O)c1ccc(C(=O)OC)c(N)c1,"InChI=1/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3",C10H11NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10651,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.967,DSSKDXUDARIMTR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.972,226-370-5,5379-36-2,N-hexadecyl-1-hydroxynaphthalene-2-carboxamide,N-hexadecyl-1-hydroxy-2-naphthamide,CCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O,CCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O,"InChI=1/C27H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-28-27(30)25-21-20-23-18-15-16-19-24(23)26(25)29/h15-16,18-21,29H,2-14,17,22H2,1H3,(H,28,30)",C27H41NO2,,,,,,MQBLEOBEYBESAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.980,226-378-9,5384-21-4,"4,4'-methylenedi-2,6-xylenol","4,4'-methylenebis(2,6-dimethylphenol)",Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O,Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O,"InChI=1/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3",C17H20O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5565,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.980,AZZWZMUXHALBCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.987,226-386-2,5390-94-3,Sodium methoxymethylsulphamate,sodium (methoxymethyl)sulfamate,[Na+].COCNS(=O)(=O)[O-],[Na+].COCNS(=O)(=O)[O-],"InChI=1/C2H7NO4S.Na/c1-7-2-3-8(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1",C2H7NO4S.Na,,,,,,MDSQBBFVVDHXLW-UHFFFAOYSA-M,,,,,,,,,,,
100.023.990,226-389-9,5391-88-8,4-bromo-alpha-methylbenzyl alcohol,1-(4-bromophenyl)ethanol,CC(O)c1ccc(Br)cc1,CC(O)c1ccc(Br)cc1,"InChI=1/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3",C8H9BrO,,,,,,XTDTYSBVMBQIBT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.996,226-396-7,5392-82-5,"2,5-dichlorophenyl isocyanate","1,4-dichloro-2-isocyanatobenzene",Clc1ccc(Cl)c(c1)N=C=O,Clc1ccc(Cl)c(c1)N=C=O,InChI=1/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H,C7H3Cl2NO,,,,,,PEQMJVGRHNZPAM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.997,226-397-2,5392-86-9,"2,4-dichlorophenetole","2,4-dichloro-1-ethoxybenzene",CCOc1ccc(Cl)cc1Cl,CCOc1ccc(Cl)cc1Cl,"InChI=1/C8H8Cl2O/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3",C8H8Cl2O,,,,,,AWPAAILWWGKSIF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.250,233-289-9,10105-90-5,2-(dimethylamino)propiophenone hydrochloride,2-(dimethylamino)-1-phenylpropan-1-one hydrochloride,Cl.CC(N(C)C)C(=O)c1ccccc1,Cl.CC(N(C)C)C(=O)c1ccccc1,"InChI=1/C11H15NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H",C11H15NO.ClH,,,,,,APOWZIQNQJSLKG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.251,233-290-4,10106-41-9,"17-a,21-dihydroxy-16-a-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate","17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H30O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,14,18,20,28H,5-6,10-11,13H2,1-4H3",C24H30O5,,,,,,AAPZMQVULRVUEU-PYAFTSMNSA-N,,,,,,,,,,,
100.030.259,233-299-3,10108-87-9,Decyltrimethylammonium chloride,"N,N,N-trimethyldecan-1-aminium chloride",[Cl-].CCCCCCCCCC[N+](C)(C)C,[Cl-].CCCCCCCCCC[N+](C)(C)C,"InChI=1/C13H30N.ClH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1",C13H30N.Cl,,,,,,HXWGXXDEYMNGCT-UHFFFAOYSA-M,,,,,,,,,,,
100.030.260,233-300-7,10108-91-5,Dimethylditetradecylammonium chloride,"N,N-dimethyl-N-tetradecyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC,"InChI=1/C30H64N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1",C30H64N.Cl,,,,,,RSHHCURRBLAGFA-UHFFFAOYSA-M,,,,,,,,,,,
100.030.266,233-307-5,10112-91-1,Dimercury dichloride,dichlorodimercury(Hg-Hg),Cl[Hg][Hg]Cl,Cl[Hg][Hg]Cl,InChI=1/2ClH.2Hg/h2*1H;;/q;;2*+1/p-2/rCl2Hg2/c1-3-4-2,Cl2Hg2,,,,,,ZOMNIUBKTOKEHS-UHFFFAOYSA-L,,,,,,,,,,,
100.030.273,233-314-3,10114-58-6,"1,3-bis(2,3-diaminophenylazo)benzene hydrochloride","3,3'-(1,3-phenylenedidiazene-2,1-diyl)dibenzene-1,2-diamine hydrochloride",Cl.Nc3c(N)cccc3N=Nc2cccc(N=Nc1cccc(N)c1N)c2,Cl.Nc3c(N)cccc3N=Nc2cccc(N=Nc1cccc(N)c1N)c2,"InChI=1/C18H18N8.ClH/c19-13-6-2-8-15(17(13)21)25-23-11-4-1-5-12(10-11)24-26-16-9-3-7-14(20)18(16)22;/h1-10H,19-22H2;1H",C18H18N8.2ClH,,,,,,HHNZTZWAUVKFNP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.684,226-052-6,5251-34-3,Cloprednol,"6-chloro-11,17,21-trihydroxypregna-1,4,6-triene-3,20-dione",C[C@]12C[C@H](O)[C@H]3[C@@H](C=C(Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@H]3[C@@H](C=C(Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3",C21H25ClO5,,,,,,YTJIBEDMAQUYSZ-FDNPDPBUSA-N,,,,,,,,,,,
100.023.689,226-057-3,5255-75-4,[(p-nitrophenoxy)methyl]oxirane,2-[(4-nitrophenoxy)methyl]oxirane,[O-][N+](=O)c1ccc(OCC2CO2)cc1,[O-][N+](=O)c1ccc(OCC2CO2)cc1,"InChI=1/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2",C9H9NO4,,,,,,FPIGOBKNDYAZTP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.436,215-879-8,1439-41-4,Tris(2-cyanoethyl)phosphine oxide,"3,3',3''-phosphoryltripropanenitrile",O=P(CCC#N)(CCC#N)CCC#N,O=P(CCC#N)(CCC#N)CCC#N,"InChI=1/C9H12N3OP/c10-4-1-7-14(13,8-2-5-11)9-3-6-12/h1-3,7-9H2",C9H12N3OP,,,,,,ILFYYSUCZQEGOL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.438,215-881-9,1441-87-8,Salicyloyl chloride,2-hydroxybenzoyl chloride,Oc1ccccc1C(=O)Cl,Oc1ccccc1C(=O)Cl,"InChI=1/C7H5ClO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H",C7H5ClO2,,,,,,DVIHKVWYFXLBEM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.439,215-882-4,1442-06-4,4-(methylthio)benzoyl chloride,4-(methylsulfanyl)benzoyl chloride,CSc1ccc(cc1)C(=O)Cl,CSc1ccc(cc1)C(=O)Cl,"InChI=1/C8H7ClOS/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",C8H7ClOS,,,,,,MIEJPWILCQAQKT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.445,215-889-2,1444-94-6,Hexahydrophthalimide,"hexahydro-1H-isoindole-1,3(2H)-dione",O=C1NC(=O)C2CCCCC12,O=C1NC(=O)C2CCCCC12,"InChI=1/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)",C8H11NO2,,,,,,WLDMPODMCFGWAA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.446,215-890-8,1445-19-8,Sodium 8-anilinonaphthalene-1-sulphonate,sodium 8-anilinonaphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12,[Na+].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12,"InChI=1/C16H13NO3S.Na/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);/q;+1/p-1",C16H13NO3S.Na,,,,,,VUSNMYYVKMGHEH-UHFFFAOYSA-M,,,,,,,,,,,
100.014.447,215-891-3,1445-23-4,"2-tert-butyl-4,5-xylenol","2-tert-butyl-4,5-dimethylphenol",Cc1cc(O)c(cc1C)C(C)(C)C,Cc1cc(O)c(cc1C)C(C)(C)C,"InChI=1/C12H18O/c1-8-6-10(12(3,4)5)11(13)7-9(8)2/h6-7,13H,1-5H3",C12H18O,,,,,,GDGFDAKCWRGGHW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.448,215-892-9,1445-45-0,Trimethyl orthoacetate,"1,1,1-trimethoxyethane",COC(C)(OC)OC,COC(C)(OC)OC,"InChI=1/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3",C5H12O3,,,,,,HDPNBNXLBDFELL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.460,215-905-8,1448-87-9,2-chloroquinoxaline,2-chloroquinoxaline,Clc1cnc2ccccc2n1,Clc1cnc2ccccc2n1,InChI=1/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,C8H5ClN2,,,,,,BYHVGQHIAFURIL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.461,215-906-3,1448-98-2,N-carbamoyl-2-cyanoacetamide,N-carbamoyl-2-cyanoacetamide,NC(=O)NC(=O)CC#N,NC(=O)NC(=O)CC#N,"InChI=1/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)",C4H5N3O2,,,,,,QJGRPCPCQQPZLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.467,215-913-1,1450-23-3,Hexaphenyldisilane,hexaphenyldisilane,c1ccc(cc1)[Si](c2ccccc2)(c3ccccc3)[Si](c4ccccc4)(c5ccccc5)c6ccccc6,c1ccc(cc1)[Si](c2ccccc2)(c3ccccc3)[Si](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/C36H30Si2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",C36H30Si2,,,,,,ZMHATUZXFSOVSC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.477,215-924-1,1453-52-7,Dicyclopropyl ketone oxime,dicyclopropylmethanone oxime,ON=C(C1CC1)C2CC2,ON=C(C1CC1)C2CC2,"InChI=1/C7H11NO/c9-8-7(5-1-2-5)6-3-4-6/h5-6,9H,1-4H2",C7H11NO,,,,,,AEVSLBGUEKOQEE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.480,215-927-8,1453-97-0,"5-benzyloxy-N,N-dimethylamino-3-methylindole","1-[5-(benzyloxy)-1H-indol-3-yl]-N,N-dimethylmethanamine",CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12,CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12,"InChI=1/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3",C18H20N2O,,,,,,POTVAILTNPOQJH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.482,215-929-9,1454-53-1,Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,Cl.CCOC(=O)C1CN(Cc2ccccc2)CCC1=O,Cl.CCOC(=O)C1CN(Cc2ccccc2)CCC1=O,"InChI=1/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H",C15H19NO3.ClH,,,,,,YPFMNHZRNXPYBG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.484,215-932-5,1454-85-9,Heptadecan-1-ol,heptadecan-1-ol,CCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCO,"InChI=1/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3",C17H36O,,,,,,GOQYKNQRPGWPLP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.231,215-653-9,1337-26-4,"Glucitol, borate, sodium salt",-,[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COB([O-])[O-],[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COB([O-])[O-],"InChI=1/C6H13BO8.Na/c8-1-3(9)5(11)6(12)4(10)2-15-7(13)14;/h3-6,8-12H,1-2H2;/q-2;+1",-,,,,,,XQBFATLCRLCCOM-VFQQELCFSA-N,,,,,,,,,,,
100.014.239,215-662-8,1338-24-5,Naphthenic acids,3-(3-ethylcyclopentyl)propanoic acid,CCC1CCC(CCC(=O)O)C1,CCC1CCC(CCC(=O)O)C1,"InChI=1/C10H18O2/c1-2-8-3-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13528,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.239,WVRFSLWCFASCIS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.932,230-726-5,7293-13-2,N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-histidine,N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-histidine,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3c[nH]cn3)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3c[nH]cn3)C(=O)O,"InChI=1/C18H20N4O4S/c1-22(2)16-7-3-6-14-13(16)5-4-8-17(14)27(25,26)21-15(18(23)24)9-12-10-19-11-20-12/h3-8,10-11,15,21H,9H2,1-2H3,(H,19,20)(H,23,24)",C18H20N4O4S,,,,,,DIJBMZDENKBEIQ-HNNXBMFYSA-N,,,,,,,,,,,
100.027.933,230-727-0,5/05/7294,"2,2,3-trimethylpentan-3-ol","2,2,3-trimethylpentan-3-ol",CCC(C)(O)C(C)(C)C,CCC(C)(O)C(C)(C)C,"InChI=1/C8H18O/c1-6-8(5,9)7(2,3)4/h9H,6H2,1-5H3",C8H18O,,,,,,KLIHWYNSISMOMR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.934,230-728-6,2/10/7294,Ethylenediamine p-toluenesulphonate,"ethane-1,2-diamine 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)O.NCCN,Cc1ccc(cc1)S(=O)(=O)O.NCCN,"InChI=1/C7H8O3S.C2H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2-4/h2-5H,1H3,(H,8,9,10);1-4H2",C7H8O3S.xC2H8N2,,,,,,HVCCFMAPGCBCHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.936,230-730-7,7295-76-3,3-methoxypyridine,3-methoxypyridine,COc1cccnc1,COc1cccnc1,"InChI=1/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3",C6H7NO,,,,,,UMJSCPRVCHMLSP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.937,230-731-2,7295-85-4,"trans-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol",O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,"InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",C15H14O6,,,,,,PFTAWBLQPZVEMU-DZGCQCFKSA-N,,,,,,,,,,,
100.027.939,230-733-3,5/06/7297,2-aminopropanesulphonic acid,2-aminopropane-1-sulfonic acid,CC(N)CS(=O)(=O)O,CC(N)CS(=O)(=O)O,"InChI=1/C3H9NO3S/c1-3(4)2-8(5,6)7/h3H,2,4H2,1H3,(H,5,6,7)",C3H9NO3S,,,,,,XDZZQMNDCFNREN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.941,230-735-4,7298-67-1,N-(3-acetyl-4-hydroxyphenyl)acetamide,N-(3-acetyl-4-hydroxyphenyl)acetamide,CC(=O)Nc1ccc(O)c(c1)C(=O)C,CC(=O)Nc1ccc(O)c(c1)C(=O)C,"InChI=1/C10H11NO3/c1-6(12)9-5-8(11-7(2)13)3-4-10(9)14/h3-5,14H,1-2H3,(H,11,13)",C10H11NO3,,,,,,DIQSYMRVTOVKQT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.942,230-737-5,7298-84-2,L-leucyl-L-alanine hydrate,L-leucyl-L-alanine hydrate,O.CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O,O.CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O,"InChI=1/C9H18N2O3.H2O/c1-5(2)4-7(10)8(12)11-6(3)9(13)14;/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14);1H2",C9H18N2O3,,,,,,FTDFAGANYJVHDA-LEUCUCNGSA-N,,,,,,,,,,,
100.027.944,230-739-6,7299-42-5,"a,a-dimethyl-4-methylenecyclohexanemethanol",2-(4-methylenecyclohexyl)propan-2-ol,CC(C)(O)C1CCC(=C)CC1,CC(C)(O)C1CCC(=C)CC1,"InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h9,11H,1,4-7H2,2-3H3",C10H18O,,,,,,SQIFACVGCPWBQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.945,230-740-1,7299-86-7,"ß,ß,5,5-tetramethyl-1,3-dioxane-2-ethanol","2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylpropan-1-ol",CC(C)(CO)C1OCC(C)(C)CO1,CC(C)(CO)C1OCC(C)(C)CO1,"InChI=1/C10H20O3/c1-9(2)6-12-8(13-7-9)10(3,4)5-11/h8,11H,5-7H2,1-4H3",C10H20O3,,,,,,ZNPKUZZRGKREJM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.949,230-744-3,7300-29-0,"2-Picoline, 4-benzyl-",4-benzyl-2-methylpyridine,Cc1cc(Cc2ccccc2)ccn1,Cc1cc(Cc2ccccc2)ccn1,"InChI=1/C13H13N/c1-11-9-13(7-8-14-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3",C13H13N,,,,,,FDFSVELZJFUAKL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.953,230-749-0,7300-81-4,"3,6,9,12,15,18,21,24,27-nonaoxahentetracontan-1-ol","3,6,9,12,15,18,21,24,27-nonaoxahentetracontan-1-ol",CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C32H66O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-34-17-19-36-21-23-38-25-27-40-29-31-42-32-30-41-28-26-39-24-22-37-20-18-35-16-14-33/h33H,2-32H2,1H3",C32H66O10,,,,,,UOALIJJTQGHCBM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.900,226-290-0,5344-78-5,4-bromo-3-nitroanisole,1-bromo-4-methoxy-2-nitrobenzene,COc1ccc(Br)c(c1)[N+](=O)[O-],COc1ccc(Br)c(c1)[N+](=O)[O-],"InChI=1/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",C7H6BrNO3,,,,,,KCOBIBRGPCFIGF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.901,226-291-6,5344-82-1,1-(2-chlorophenyl)-2-thiourea,1-(2-chlorophenyl)thiourea,NC(=S)Nc1ccccc1Cl,NC(=S)Nc1ccccc1Cl,"InChI=1/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)",C7H7ClN2S,,,,,,YZUKKTCDYSIWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.908,226-298-4,5345-54-0,3-chloro-p-anisidine,3-chloro-4-methoxyaniline,COc1ccc(N)cc1Cl,COc1ccc(N)cc1Cl,"InChI=1/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3",C7H8ClNO,,,,,,XQVCBOLNTSUFGD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.910,226-301-9,5345-89-1,"2,6-dichlorocinnamic acid","3-(2,6-dichlorophenyl)acrylic acid",OC(=O)\\C=C\\c1c(Cl)cccc1Cl,OC(=O)\C=C\c1c(Cl)cccc1Cl,"InChI=1/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)",C9H6Cl2O2,,,,,,OIPVGRCXMFBNAN-SNAWJCMRSA-N,,,,,,,,,,,
100.023.914,226-306-6,5348-51-6,4-methylpyrimidin-2-ol hydrochloride,4-methylpyrimidin-2-ol hydrochloride,Cl.Cc1ccnc(O)n1,Cl.Cc1ccnc(O)n1,"InChI=1/C5H6N2O.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H",C5H6N2O.ClH,,,,,,FDRYQDWXFZBBAD-UHFFFAOYSA-N,,,,,,,,,,,
100.009.215,210-135-9,607-35-2,8-nitroquinoline,8-nitroquinoline,[O-][N+](=O)c1cccc2cccnc12,[O-][N+](=O)c1cccc2cccnc12,InChI=1/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,C9H6N2O2,,,,,,OQHHSGRZCKGLCY-UHFFFAOYSA-N,,,,,,,,,,,
100.009.221,210-142-7,607-81-8,Diethyl benzylmalonate,diethyl benzylmalonate,CCOC(=O)C(Cc1ccccc1)C(=O)OCC,CCOC(=O)C(Cc1ccccc1)C(=O)OCC,"InChI=1/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3",C14H18O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16822,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.221,ICZLTZWATFXDLP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.228,210-150-0,607-96-5,5-methyl-4-(4-nitrophenylazo)resorcinol,"5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol",Oc2cc(O)cc(C)c2N=Nc1ccc(cc1)[N+]([O-])=O,Oc2cc(O)cc(C)c2N=Nc1ccc(cc1)[N+]([O-])=O,"InChI=1/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3",C13H11N3O4,,,,,,XDOOUKIUNUWEFT-UHFFFAOYSA-N,,,,,,,,,,,
100.009.230,210-152-1,608-05-9,"5-methylindole-2,3(1H)-dione","5-methyl-1H-indole-2,3-dione",Cc1ccc2NC(=O)C(=O)c2c1,Cc1ccc2NC(=O)C(=O)c2c1,"InChI=1/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)",C9H7NO2,,,,,,VAJCSPZKMVQIAP-UHFFFAOYSA-N,,,,,,,,,,,
100.009.234,210-156-3,608-26-4,2-chloro-m-cresol,2-chloro-3-methylphenol,Cc1cccc(O)c1Cl,Cc1cccc(O)c1Cl,"InChI=1/C7H7ClO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3",C7H7ClO,,,,,,HKHXLHGVIHQKMK-UHFFFAOYSA-N,,,,,,,,,,,
100.009.236,210-158-4,608-30-0,"2,6-dibromoaniline","2,6-dibromoaniline",Nc1c(Br)cccc1Br,Nc1c(Br)cccc1Br,"InChI=1/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2",C6H5Br2N,,,,,,XIRRDAWDNHRRLB-UHFFFAOYSA-N,,,,,,,,,,,
100.007.476,208-222-1,516-15-4,"Pregn-4-ene-3,11,20-trione","pregn-4-ene-3,11,20-trione",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3",C21H28O3,,,,,,WKAVAGKRWFGIEA-DADBAOPHSA-N,,,,,,,,,,,
100.007.479,208-225-8,516-78-9,5-a-ergost-7-en-3-ß-ol,ergost-7-en-3-ol,CC(C)C(C)CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3",C28H48O,,,,,,PUGBZUWUTZUUCP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.480,208-226-3,516-79-0,"22,23-dihydroergosterol, non-irradiated","ergosta-5,7-dien-3-ol",CC(C)C(C)CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3",C28H46O,,,,,,ZKQRGSXITBHHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.007.481,208-227-9,516-91-6,3ß-bromocholest-5-ene,3-bromocholest-5-ene,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H45Br/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3",C27H45Br,,,,,,WDRGNJZPWVRVSN-DPAQBDIFSA-N,,,,,,,,,,,
100.007.482,208-228-4,516-95-0,5-a-cholestan-3-a-ol,cholestan-3-ol,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,"InChI=1/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3",C27H48O,,,,,,QYIXCDOBOSTCEI-UHFFFAOYSA-N,,,,,,,,,,,
100.007.483,208-230-5,517-09-9,"3-hydroxyoestra-1,3,5(10),6,8-pentaen-17-one","3-hydroxyestra-1,3,5,7,9-pentaen-17-one",C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CCC2=O,C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CCC2=O,"InChI=1/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3",C18H18O2,,,,,,PDRGHUMCVRDZLQ-WMZOPIPTSA-N,,,,,,,,,,,
100.007.490,208-237-3,517-28-2,Haematoxylin,"7,11b-dihydroindeno[2,1-c]chromene-3,4,6a,9,10(6H)-pentol",Oc1cc2C[C@]3(O)COc4c(O)c(O)ccc4[C@@H]3c2cc1O,Oc1cc2C[C@]3(O)COc4c(O)c(O)ccc4[C@@H]3c2cc1O,"InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2",C16H14O6,,,,,,WZUVPPKBWHMQCE-CJNGLKHVSA-N,,,,,,,,,,,
100.007.493,208-241-5,517-45-3,9-(9H-xanthen-9-ylidene)-9H-xanthene,"9,9'-bixanthene",O1c2ccccc2C(=C3c4ccccc4Oc5ccccc35)c6ccccc16,O1c2ccccc2C(=C3c4ccccc4Oc5ccccc35)c6ccccc16,InChI=1/C26H16O2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H,C26H16O2,,,,,,SXXWAWNPJCEOGD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.494,208-242-0,517-51-1,"5,6,11,12-tetraphenylnaphthacene","5,6,11,12-tetraphenyltetracene",c1ccc(cc1)c2c3ccccc3c(c4ccccc4)c5c(c6ccccc6)c7ccccc7c(c8ccccc8)c25,c1ccc(cc1)c2c3ccccc3c(c4ccccc4)c5c(c6ccccc6)c7ccccc7c(c8ccccc8)c25,InChI=1/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H,C42H28,,,,,,YYMBJDOZVAITBP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.274,233-315-9,10114-60-0,"2,11-diethoxybisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione","2,11-diethoxybisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione",CCOc1ccc2nc3c4ccc5C(=O)n6c(nc7ccc(OCC)cc67)c8ccc(C(=O)n3c2c1)c4c58,CCOc1ccc2nc3c4ccc5C(=O)n6c(nc7ccc(OCC)cc67)c8ccc(C(=O)n3c2c1)c4c58,"InChI=1/C30H20N4O4/c1-3-37-15-5-11-21-23(13-15)33-27(31-21)17-7-10-20-26-18(8-9-19(25(17)26)29(33)35)28-32-22-12-6-16(38-4-2)14-24(22)34(28)30(20)36/h5-14H,3-4H2,1-2H3",C30H20N4O4,,,,,,RLDUKJRGIPDRQS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.278,233-320-6,10116-22-0,Demegestone,"17-acetyl-17-methylestra-4,9-dien-3-one",CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CC\\C\\4=C\\C(=O)CC\\C/4=C3/CC[C@]12C,CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CC\C\4=C\C(=O)CC\C/4=C3/CC[C@]12C,"InChI=1/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3",C21H28O2,,,,,,JWAHBTQSSMYISL-MHTWAQMVSA-N,,,,,,,,,,,
100.030.279,233-321-1,10117-38-1,Potassium sulphite,dipotassium sulfite,[K+].[K+].[O-]S(=O)[O-],[K+].[K+].[O-]S(=O)[O-],"InChI=1/2K.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",H2O3S.2K,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13481,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.279,BHZRJJOHZFYXTO-UHFFFAOYSA-L,,,,,,,,,,,
100.030.283,233-325-3,10120-28-2,[2H14]methylcyclohexane,methylcyclohexane,CC1CCCCC1,CC1CCCCC1,"InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",C7D14,,,,,,UAEPNZWRGJTJPN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.287,233-330-0,10124-31-9,"Phosphoric acid, ammonium salt",ammonium dihydrogen phosphate,[NH4+].OP(=O)(O)[O-],[NH4+].OP(=O)(O)[O-],"InChI=1/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)",H3N.xH3O4P,,,,,,LFVGISIMTYGQHF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.010,228-610-4,6304-33-2,Triphenylacrylonitrile,"2,3,3-triphenylacrylonitrile",N#CC(=C(c1ccccc1)c2ccccc2)c3ccccc3,N#CC(=C(c1ccccc1)c2ccccc2)c3ccccc3,InChI=1/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,C21H15N,,,,,,OPACMJHTQWVSKW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.012,228-613-0,6305-04-0,2-chloro-1-(4-hydroxyphenyl)ethan-1-one,2-chloro-1-(4-hydroxyphenyl)ethanone,Oc1ccc(cc1)C(=O)CCl,Oc1ccc(cc1)C(=O)CCl,"InChI=1/C8H7ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2",C8H7ClO2,,,,,,PPPIAEPDQPCIIM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.019,228-620-9,6306-52-1,Methyl valinate hydrochloride,methyl valinate hydrochloride,Cl.COC(=O)C(N)C(C)C,Cl.COC(=O)C(N)C(C)C,"InChI=1/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H",C6H13NO2.ClH,,,,,,KUGLDBMQKZTXPW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.030,228-632-4,6310-19-6,4-tert-butyl-2-nitroaniline,4-tert-butyl-2-nitroaniline,CC(C)(C)c1ccc(N)c(c1)[N+](=O)[O-],CC(C)(C)c1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C10H14N2O2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,11H2,1-3H3",C10H14N2O2,,,,,,YXTJXBPEGJNGKV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.036,228-639-2,6313-33-3,Formamidinium chloride,imidoformamide,NC=N,NC=N,"InChI=1/CH4N2/c2-1-3/h1H,(H3,2,3)",CH4N2.ClH,,,,,,PNKUSGQVOMIXLU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.038,228-641-3,6314-73-4,"N-[5-isopropyl-1,3,4-thiadiazol-2-yl]-p-toluenesulphonamide","N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide",CC(C)c1nnc(NS(=O)(=O)c2ccc(C)cc2)s1,CC(C)c1nnc(NS(=O)(=O)c2ccc(C)cc2)s1,"InChI=1/C12H15N3O2S2/c1-8(2)11-13-14-12(18-11)15-19(16,17)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,14,15)",C12H15N3O2S2,,,,,,RVZBTLZCOLGOHU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.045,228-649-7,6316-16-1,"1,3a,4,6,7,7a-hexahydro-4,7-methano-5H-inden-5-one","1,3a,4,6,7,7a-hexahydro-5H-4,7-methanoinden-5-one",O=C1CC2CC1C3C=CCC23,O=C1CC2CC1C3C=CCC23,"InChI=1/C10H12O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-9H,2,4-5H2",C10H12O,,,,,,UCWKJFXRPXCVCD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.050,228-654-4,6317-37-9,5-nitro-2-thenoic acid,5-nitrothiophene-2-carboxylic acid,OC(=O)c1ccc(s1)[N+](=O)[O-],OC(=O)c1ccc(s1)[N+](=O)[O-],"InChI=1/C5H3NO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)",C5H3NO4S,,,,,,UNEPVPOHGXLUIR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.052,228-657-0,6317-49-3,Diethyl 4-oxoheptanedioate,diethyl 4-oxoheptanedioate,CCOC(=O)CCC(=O)CCC(=O)OCC,CCOC(=O)CCC(=O)CCC(=O)OCC,"InChI=1/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3",C11H18O5,,,,,,ZGBUXZJMZBBISR-UHFFFAOYSA-N,,,,,,,,,,,
100.029.138,232-052-7,7784-19-2,Triammonium hexafluoroaluminate,triammonium hexafluoroaluminate(3-),[NH4+].[NH4+].[NH4+].F[Al-3](F)(F)(F)(F)F,[NH4+].[NH4+].[NH4+].F[Al-3](F)(F)(F)(F)F,"InChI=1/Al.6FH.3H3N/h;6*1H;3*1H3/q+3;;;;;;;;;/p-3/rAlF6.3H3N/c2-1(3,4,5,6)7;;;/h;3*1H3/q-3;;;/p+3",AlF6.3H4N,,,,,,OYHBNKHFKHBTRQ-UHFFFAOYSA-K,,,,,,,,,,,
100.029.142,232-056-9,7784-30-7,Aluminium orthophosphate,"[phosphato(3-)-kappa~3~O,O',O'']aluminum",O=P12O[Al](O1)O2,O=P12O[Al](O1)O2,"InChI=1/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3/rAlO4P/c2-6-3-1(4-6)5-6",Al.H3O4P,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15223,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.142,ILRRQNADMUWWFW-UHFFFAOYSA-K,,,,,,,,,,,
100.029.146,232-061-6,7784-36-3,Pentafluoroarsorane,pentafluoroarsorane,F[As](F)(F)(F)F,F[As](F)(F)(F)F,"InChI=1/AsF5/c2-1(3,4,5)6",AsF5,,,,,,YBGKQGSCGDNZIB-UHFFFAOYSA-N,,,,,,,,,,,
100.029.151,232-066-3,7784-42-1,Arsine,arsine,[AsH3],[AsH3],InChI=1/AsH3/h1H3,AsH3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11116,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.151,RBFQJDQYXXHULB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.242,215-665-4,1338-43-8,Sorbitan oleate,"1,4-anhydro-6-O-oleoyl-D-glucitol",O[C@H](COC(=O)CCCCCCCC=CCCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O,O[C@H](COC(=O)CCCCCCCC=CCCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O,"InChI=1/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3",C24H44O6,,,,,,NWGKJDSIEKMTRX-XWVZOOPGSA-N,,,,,,,,,,,
100.014.246,215-670-1,1339-92-0,"Carbonic acid, aluminum salt, basic",-,[Al+3].[O-]C(=O)[O-],[Al+3].[O-]C(=O)[O-],"InChI=1/CH2O3.Al/c2-1(3)4;/h(H2,2,3,4);/q;+3/p-2",-,,,,,,BLBTYSAROMXPSY-UHFFFAOYSA-L,,,,,,,,,,,
100.014.248,215-672-2,1340-08-5,Vitamin P,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3",-,,,,,,IKGXIBQEEMLURG-NVPNHPEKSA-N,,,,,,,,,,,
100.014.262,215-687-4,1344-09-8,"Silicic acid, sodium salt",sodium hydroxy(oxo)silanolate,[Na+].O[Si](=O)[O-],[Na+].O[Si](=O)[O-],InChI=1/Na.HO3Si/c;1-4(2)3/h;1H/q+1;-1,-,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16162,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.262,KSYJCUIKDCQRDE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.263,215-689-5,1344-13-4,Tin chloride,tin(4+) tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4],[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4],InChI=1/4ClH.Sn/h4*1H;/q;;;;+4/p-4,-,,,,,,HPGGPRDJHPYFRM-UHFFFAOYSA-J,,,,,,,,,,,
100.013.557,214-912-3,1210-35-1,"Dibenzo(b,f)cycloheptan-1-one","10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one",O=C1c2ccccc2CCc3ccccc13,O=C1c2ccccc2CCc3ccccc13,"InChI=1/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2",C15H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18967,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.557,BMVWCPGVLSILMU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.559,214-914-4,1210-66-8,N-purin-6-ylaniline,N-phenyl-7H-purin-6-amine,N(c1ccccc1)c2ncnc3nc[nH]c23,N(c1ccccc1)c2ncnc3nc[nH]c23,"InChI=1/C11H9N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H2,12,13,14,15,16)",C11H9N5,,,,,,WCZNSRQVTJYMRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.560,214-916-5,1210-83-9,N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide,N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide,CC(=O)NCCc1c[nH]c2ccc(O)cc12,CC(=O)NCCc1c[nH]c2ccc(O)cc12,"InChI=1/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)",C12H14N2O2,,,,,,MVAWJSIDNICKHF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.562,214-918-6,1211-29-6,"Methyl [1R-[1a,2ß(Z)]]-3-oxo-2-(pent-2-enyl)cyclopentaneacetate",methyl (3-oxo-2-pent-2-en-1-ylcyclopentyl)acetate,CCC=CCC1C(CC(=O)OC)CCC1=O,CCC=CCC1C(CC(=O)OC)CCC1=O,"InChI=1/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3",C13H20O3,,,,,,GEWDNTWNSAZUDX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.565,214-921-2,1212-48-2,2-benzyl-1H-benzimidazole monohydrochloride,2-benzyl-1H-benzimidazole hydrochloride,Cl.C(c1ccccc1)c2nc3ccccc3[nH]2,Cl.C(c1ccccc1)c2nc3ccccc3[nH]2,"InChI=1/C14H12N2.ClH/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14;/h1-9H,10H2,(H,15,16);1H",C14H12N2.ClH,,,,,,CJTQARUHALKPGG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.567,214-923-3,1212-72-2,Mephentermine sulphate,"N,2-dimethyl-1-phenylpropan-2-amine sulfate",CNC(C)(C)Cc1ccccc1.OS(=O)(=O)O,CNC(C)(C)Cc1ccccc1.OS(=O)(=O)O,"InChI=1/C11H17N.H2O4S/c1-11(2,12-3)9-10-7-5-4-6-8-10;1-5(2,3)4/h4-8,12H,9H2,1-3H3;(H2,1,2,3,4)",C11H17N.1/2H2O4S,,,,,,NZKLHVGUPFNBFD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.570,214-927-5,1214-39-7,Benzyl(purin-6-yl)amine,N-benzyl-7H-purin-6-amine,C(Nc1ncnc2nc[nH]c12)c3ccccc3,C(Nc1ncnc2nc[nH]c12)c3ccccc3,"InChI=1/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)",C12H11N5,,,,,,NWBJYWHLCVSVIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.577,214-934-3,1217-08-9,"ß,1,1,2,3,3-hexamethylindan-5-ethanol","2-(1,1,2,3,3-pentamethyl-2,3-dihydro-1H-inden-5-yl)propan-1-ol",CC(CO)c1ccc2c(c1)C(C)(C)C(C)C2(C)C,CC(CO)c1ccc2c(c1)C(C)(C)C(C)C2(C)C,"InChI=1/C17H26O/c1-11(10-18)13-7-8-14-15(9-13)17(5,6)12(2)16(14,3)4/h7-9,11-12,18H,10H2,1-6H3",C17H26O,,,,,,FADUOCSCUWPALK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.584,214-942-7,1219-36-9,1-[3-(p-fluorobenzoyl)propyl]piperidinium chloride,1-[4-(4-fluorophenyl)-4-oxobutyl]piperidinium chloride,[Cl-].Fc1ccc(cc1)C(=O)CCC[NH+]2CCCCC2,[Cl-].Fc1ccc(cc1)C(=O)CCC[NH+]2CCCCC2,"InChI=1/C15H20FNO.ClH/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17;/h6-9H,1-5,10-12H2;1H",C15H20FNO.ClH,,,,,,INQANUMBIQJXPA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.591,214-950-0,1223-31-0,Bis(4-nitrophenyl) sulphide,"1,1'-sulfanediylbis(4-nitrobenzene)",[O-][N+](=O)c1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,InChI=1/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,C12H8N2O4S,,,,,,ZZTJMQPRKBNGNX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.594,214-953-7,1225-13-4,"(R*,S*)-2,3-diphenylsuccinic acid","2,3-diphenylsuccinic acid",OC(=O)C(C(C(=O)O)c1ccccc1)c2ccccc2,OC(=O)C(C(C(=O)O)c1ccccc1)c2ccccc2,"InChI=1/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)",C16H14O4,,,,,,PVXCQHHWNDJIJP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.915,226-307-1,5348-74-3,Butyl vanillate,butyl 4-hydroxy-3-methoxybenzoate,CCCCOC(=O)c1ccc(O)c(OC)c1,CCCCOC(=O)c1ccc(O)c(OC)c1,"InChI=1/C12H16O4/c1-3-4-7-16-12(14)9-5-6-10(13)11(8-9)15-2/h5-6,8,13H,3-4,7H2,1-2H3",C12H16O4,,,,,,TUOSEEPBHUCCAO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.939,226-333-3,5355-16-8,Diaveridine,"5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamine",COc1ccc(Cc2cnc(N)nc2N)cc1OC,COc1ccc(Cc2cnc(N)nc2N)cc1OC,"InChI=1/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)",C13H16N4O2,,,,,,LDBTVAXGKYIFHO-UHFFFAOYSA-N,Positive,AU108601;EQ364501|EQ364502|EQ364503|EQ364504|EQ364505|EQ364506|EQ364507|EQ364508|EQ364509,[M+H]+;[M+H]+,CID20.2-30.3;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,261.1359:245.1044:123.0672;261.1345:123.0663:246.1103|261.1345:123.0665:246.1111|245.1033:261.1346:123.0665|245.1033:123.0665:217.1085|245.1033:123.0665:81.0447|123.0665:81.0447:245.1034|81.0447:123.0665:54.0339|81.0447:54.0339:95.0492|54.0339:95.0491:89.0386,Athens_Univ;Eawag,,,,,
100.023.940,226-334-9,5355-17-9,a-methoxy-p-cresol,4-(methoxymethyl)phenol,COCc1ccc(O)cc1,COCc1ccc(O)cc1,"InChI=1/C8H10O2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,9H,6H2,1H3",C8H10O2,,,,,,AHXXIALEMINDAW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.941,226-335-4,5355-37-3,"3-[m-[[(2,4-di-tert-pentylphenoxy)acetyl]amino]phenyl]-N-(o-methoxyphenyl)-3-oxopropionamide","3-[3-({[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl}amino)phenyl]-N-(2-methoxyphenyl)-3-oxopropanamide",CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)CC(=O)Nc3ccccc3OC)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)CC(=O)Nc3ccccc3OC)c(c1)C(C)(C)CC,"InChI=1/C34H42N2O5/c1-8-33(3,4)24-17-18-29(26(20-24)34(5,6)9-2)41-22-32(39)35-25-14-12-13-23(19-25)28(37)21-31(38)36-27-15-10-11-16-30(27)40-7/h10-20H,8-9,21-22H2,1-7H3,(H,35,39)(H,36,38)",C34H42N2O5,,,,,,JFJMYNRTYJNQHB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.945,226-340-1,5355-88-4,"1-amino-6,7-dichloroanthraquinone","1-amino-6,7-dichloro-9,10-anthraquinone",Nc1cccc2C(=O)c3cc(Cl)c(Cl)cc3C(=O)c12,Nc1cccc2C(=O)c3cc(Cl)c(Cl)cc3C(=O)c12,"InChI=1/C14H7Cl2NO2/c15-9-4-7-8(5-10(9)16)14(19)12-6(13(7)18)2-1-3-11(12)17/h1-5H,17H2",C14H7Cl2NO2,,,,,,YFEHGCGWUWOAFA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.573,230-330-2,7051-16-3,"5-chloro-1,3-dimethoxybenzene","1-chloro-3,5-dimethoxybenzene",COc1cc(Cl)cc(OC)c1,COc1cc(Cl)cc(OC)c1,"InChI=1/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3",C8H9ClO2,,,,,,WQHNWJBSROXROL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.574,230-331-8,7051-34-5,Bromomethylcyclopropane,(bromomethyl)cyclopropane,BrCC1CC1,BrCC1CC1,"InChI=1/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2",C4H7Br,,,,,,AEILLAXRDHDKDY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.577,230-334-4,7055-03-0,Mebenil,2-methyl-N-phenylbenzamide,Cc1ccccc1C(=O)Nc2ccccc2,Cc1ccccc1C(=O)Nc2ccccc2,"InChI=1/C14H13NO/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)",C14H13NO,,,,,,MZNCVTCEYXDDIS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.578,230-336-5,7056-83-9,"Formic acid, lead salt",-,[Pb].OC=O,[Pb].OC=O,"InChI=1/CH2O2.Pb.2H/c2-1-3;;;/h1H,(H,2,3);;;/q;+4;;/rCH2O2.H2Pb/c2-1-3;/h1H,(H,2,3);1H2/q;+4",CH2O2.xPb,,,,,,SURVVDRUGZTTOX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.583,230-341-2,7057-92-3,Didodecyl hydrogen phosphate,didodecyl hydrogen phosphate,CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC,CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC,"InChI=1/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)",C24H51O4P,,,,,,JTXUVYOABGUBMX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.584,230-342-8,7/01/7058,sec-butylcyclohexane,sec-butylcyclohexane,CCC(C)C1CCCCC1,CCC(C)C1CCCCC1,"InChI=1/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3",C10H20,,,,,,QTYARKOMFKRPSY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.587,230-345-4,7059-16-7,"Zinc bis(O,O-dioctyl) bis(dithiophosphate)","zinc bis(O,O-dioctyl dithiophosphate)",CCCCCCCCOP(=S)(OCCCCCCCC)S[Zn]SP(=S)(OCCCCCCCC)OCCCCCCCC,CCCCCCCCOP(=S)(OCCCCCCCC)S[Zn]SP(=S)(OCCCCCCCC)OCCCCCCCC,"InChI=1/2C16H35O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2;/h2*3-16H2,1-2H3,(H,20,21);/q;;+2/p-2/rC32H68O4P2S4Zn/c1-5-9-13-17-21-25-29-33-37(39,34-30-26-22-18-14-10-6-2)41-43-42-38(40,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4/h5-32H2,1-4H3",C16H35O2PS2.1/2Zn,,,,,,OFCLICZRRNTIOR-UHFFFAOYSA-L,,,,,,,,,,,
100.027.588,230-347-5,7059-23-6,"3,3'-(1-methylethane-1,2-diylidene)dicarbazamidine dihydrochloride","2,2'-propane-1,2-diylidenedihydrazinecarboximidamide dihydrochloride",Cl.Cl.N=C(N)NN=C(C)C=NNC(N)=N,Cl.Cl.N=C(N)NN=C(C)C=NNC(N)=N,"InChI=1/C5H12N8.2ClH/c1-3(11-13-5(8)9)2-10-12-4(6)7;;/h2H,1H3,(H4,6,7,12)(H4,8,9,13);2*1H",C5H12N8.2ClH,,,,,,VVTBQCXLZQYGQE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.592,230-351-7,7060-74-4,Oleandomycin phosphate,"6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside phosphate (salt)",OP(O)(=O)O.CN(C)[C@H]4C[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@]2(CO2)C[C@@H]3C)[C@@H]4O,OP(O)(=O)O.CN(C)[C@H]4C[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@]2(CO2)C[C@@H]3C)[C@@H]4O,"InChI=1/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)",C35H61NO12.H3O4P,,,,,,RLPCJGKQKFMBEI-JWNQHVKNSA-N,,,,,,,,,,,
100.007.499,208-247-8,518-05-8,"Naphthalene-1,8-dicarboxylic acid","naphthalene-1,8-dicarboxylic acid",OC(=O)c1cccc2cccc(C(=O)O)c12,OC(=O)c1cccc2cccc(C(=O)O)c12,"InChI=1/C12H8O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,(H,13,14)(H,15,16)",C12H8O4,,,,,,HRRDCWDFRIJIQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.007.500,208-248-3,518-20-7,"3,4-dihydro-2-methoxy-2-methyl-4-phenylpyrano[3,2-c]chromen-5-one","2-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one",COC1(C)CC(C2=C(O1)c3ccccc3OC2=O)c4ccccc4,COC1(C)CC(C2=C(O1)c3ccccc3OC2=O)c4ccccc4,"InChI=1/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3",C20H18O4,,,,,,ZGFASEKBKWVCGP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.507,208-256-7,518-67-2,"3,8-diamino-5-methyl-6-phenylphenanthridinium bromide","3,8-diamino-5-methyl-6-phenylphenanthridinium bromide",[Br-].C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,[Br-].C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,"InChI=1/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H",C20H18N3.Br,,,,,,MQOKYEROIFEEBH-UHFFFAOYSA-N,,,,,,,,,,,
100.007.508,208-257-2,518-75-2,"3,4-dihydro-8-hydroxy-3,4,5-trimethyl-6H-6-oxobenzo(c)pyran-7-carboxylic acid","8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid",C[C@@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@H]1C)C)O,C[C@@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@H]1C)C)O,"InChI=1/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)",C13H14O5,,,,,,CQIUKKVOEOPUDV-FSPLSTOPSA-N,,,,,,,,,,,
100.007.513,208-263-5,519-09-5,O-benzoylecgonine,3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O,"InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)",C16H19NO4,,,,,,GVGYEFKIHJTNQZ-RFQIPJPRSA-N,,,,,,,,,,,
100.008.322,209-152-4,557-06-2,(Z)-(octadecanoato-O)(9-octadecenoato-O)zinc,zinc octadecanoate octadec-9-enoate,CCCCCCCCCCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C18H36O2.C18H34O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C36H68O4Zn,,,,,,HDLHNFQWUFVJRC-UHFFFAOYSA-L,,,,,,,,,,,
100.008.330,209-161-3,557-20-0,Diethylzinc,diethylzinc,CC[Zn]CC,CC[Zn]CC,"InChI=1/2C2H5.Zn/c2*1-2;/h2*1H2,2H3;/rC4H10Zn/c1-3-5-4-2/h3-4H2,1-2H3",C4H10Zn,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13918,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.330,HQWPLXHWEZZGKY-UHFFFAOYSA-N,,,,,,,,,,,
100.008.337,209-169-7,557-31-3,Allyl ethyl ether,3-ethoxyprop-1-ene,CCOCC=C,CCOCC=C,"InChI=1/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3",C5H10O,,,,,,OJPSFJLSZZTSDF-UHFFFAOYSA-N,,,,,,,,,,,
100.008.340,209-172-3,557-36-8,2-iodooctane,2-iodooctane,CCCCCCC(C)I,CCCCCCC(C)I,"InChI=1/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3",C8H17I,,,,,,XFLOGTUFKZCFTK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.345,209-178-6,557-48-2,"(2E,6Z)-nona-2,6-dien-1-al","nona-2,6-dienal",CC\\C=C/CC\\C=C\\C=O,CC\C=C/CC\C=C\C=O,"InChI=1/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3",C9H14O,,,,,,HZYHMHHBBBSGHB-ODYTWBPASA-N,,,,,,,,,,,
100.008.346,209-179-1,557-58-4,(E)-octadec-11-en-9-ynoic acid,octadec-11-en-9-ynoic acid,CCCCCC\\C=C\\C#CCCCCCCCC(=O)O,CCCCCC\C=C\C#CCCCCCCCC(=O)O,"InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)",C18H30O2,,,,,,VENIIVIRETXKSV-BQYQJAHWSA-N,,,,,,,,,,,
100.008.348,209-181-2,557-61-9,Octacosan-1-ol,octacosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3",C28H58O,,,,,,CNNRPFQICPFDPO-UHFFFAOYSA-N,,,,,,,,,,,
100.008.354,209-188-0,557-99-3,Acetyl fluoride,acetyl fluoride,CC(=O)F,CC(=O)F,InChI=1/C2H3FO/c1-2(3)4/h1H3,C2H3FO,,,,,,JUCMRTZQCZRJDC-UHFFFAOYSA-N,,,,,,,,,,,
100.008.374,209-210-9,560-53-2,"(3ß,5ß)-3-[(2,6-dideoxy-4-O-ß-D-glucopyranosyl-3-O-methyl-ß-D\-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide","3-[(2,6-dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-6,14-dihydroxy-19-oxocard-20(22)-enolide",COC1CC(OC2CCC3(C=O)C(C2)C(O)CC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)OC(C)C1OC7OC(CO)C(O)C(O)C7O,COC1CC(OC2CCC3(C=O)C(C2)C(O)CC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)OC(C)C1OC7OC(CO)C(O)C(O)C7O,"InChI=1/C36H54O14/c1-17-32(50-33-31(43)30(42)29(41)26(14-37)49-33)25(45-3)13-28(47-17)48-19-4-8-35(16-38)21-5-7-34(2)20(18-10-27(40)46-15-18)6-9-36(34,44)22(21)12-24(39)23(35)11-19/h10,16-17,19-26,28-33,37,39,41-44H,4-9,11-15H2,1-3H3",C36H54O14,,,,,,ZBOYSQIROMNJAX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.682,207-348-4,464-10-8,Tribromonitromethane,tribromo(nitro)methane,[O-][N+](=O)C(Br)(Br)Br,[O-][N+](=O)C(Br)(Br)Br,"InChI=1/CBr3NO2/c2-1(3,4)5(6)7",CBr3NO2,,,,,,QQZIUHOKWDFXEY-UHFFFAOYSA-N,,,,,,,,,,,
100.006.687,207-354-7,464-48-2,(-)-bornan-2-one,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,"InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",C10H16O,,,,,,DSSYKIVIOFKYAU-OIBJUYFYSA-N,,,,,,,,,,,
100.029.163,232-079-4,7785-42-4,2-hydroxypropane-2-sulphonic acid,2-hydroxypropane-2-sulfonic acid,CC(C)(O)S(=O)(=O)O,CC(C)(O)S(=O)(=O)O,"InChI=1/C3H8O4S/c1-3(2,4)8(5,6)7/h4H,1-2H3,(H,5,6,7)",C3H8O4S,,,,,,WCBWZBSYSCYPTM-UHFFFAOYSA-N,,,,,,,,,,,
100.029.164,232-081-5,7785-53-7,"(R)-a,a,4-trimethylcyclohex-3-ene-1-methanol",2-(4-methylcyclohex-3-en-1-yl)propan-2-ol,CC1=CC[C@@H](CC1)C(C)(C)O,CC1=CC[C@@H](CC1)C(C)(C)O,"InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",C10H18O,,,,,,WUOACPNHFRMFPN-VIFPVBQESA-N,,,,,,,,,,,
100.029.165,232-082-0,7785-54-8,"(R)-a,a,4-trimethylcyclohex-3-ene-1-methyl acetate",1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate,CC(=O)OC(C)(C)C1CCC(=CC1)C,CC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,,,,,,IGODOXYLBBXFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.029.183,232-101-2,7786-61-0,2-methoxy-4-vinylphenol,2-methoxy-4-vinylphenol,COc1cc(C=C)ccc1O,COc1cc(C=C)ccc1O,"InChI=1/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C9H10O2,,,,,,YOMSJEATGXXYPX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.627,228-189-7,6161-67-7,3-ethyl-p-cresol,3-ethyl-4-methylphenol,CCc1cc(O)ccc1C,CCc1cc(O)ccc1C,"InChI=1/C9H12O/c1-3-8-6-9(10)5-4-7(8)2/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,BTRPJOHXPQOVLS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.628,228-190-2,6161-81-5,Dioctyl phenyl phosphate,dioctyl phenyl phosphate,CCCCCCCCOP(=O)(OCCCCCCCC)Oc1ccccc1,CCCCCCCCOP(=O)(OCCCCCCCC)Oc1ccccc1,"InChI=1/C22H39O4P/c1-3-5-7-9-11-16-20-24-27(23,26-22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3",C22H39O4P,,,,,,QHGRPTNUHWYCEN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.635,228-198-6,6164-79-0,Methyl pyrazinecarboxylate,methyl pyrazine-2-carboxylate,COC(=O)c1cnccn1,COC(=O)c1cnccn1,"InChI=1/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3",C6H6N2O2,,,,,,TWIIRMSFZNYMQE-UHFFFAOYSA-N,Positive,SM836401,[M+H]+,HCD35,97.0395:125.0344:139.05,CASMI_2016,,,,,
100.025.636,228-199-1,6164-87-0,"3-hydroxypyridinium hydrogen [R-(R*,R*)]-tartrate","pyridin-3-ylmethanol 2,3-dihydroxysuccinate (salt)",OCc1cccnc1.OC(C(O)C(=O)O)C(=O)O,OCc1cccnc1.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C6H7NO.C4H6O6/c8-5-6-2-1-3-7-4-6;5-1(3(7)8)2(6)4(9)10/h1-4,8H,5H2;1-2,5-6H,(H,7,8)(H,9,10)",C6H7NO.C4H6O6,,,,,,NPORIZAYKBQYLF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.639,228-202-6,6165-52-2,4-(1-phenylethyl)-m-xylene,"2,4-dimethyl-1-(1-phenylethyl)benzene",CC(c1ccccc1)c2ccc(C)cc2C,CC(c1ccccc1)c2ccc(C)cc2C,"InChI=1/C16H18/c1-12-9-10-16(13(2)11-12)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3",C16H18,,,,,,JOUBGGHXBLOLFY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.642,228-205-2,6167-42-6,Titanium(4+) nonan-1-olate,titanium(4+) tetranonan-1-olate,[Ti+4].CCCCCCCCC[O-].CCCCCCCCC[O-].CCCCCCCCC[O-].CCCCCCCCC[O-],[Ti+4].CCCCCCCCC[O-].CCCCCCCCC[O-].CCCCCCCCC[O-].CCCCCCCCC[O-],"InChI=1/4C9H19O.Ti/c4*1-2-3-4-5-6-7-8-9-10;/h4*2-9H2,1H3;/q4*-1;+4",C9H20O.1/4Ti,,,,,,AFYFEUSEUHGKGV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.647,228-211-5,6168-86-1,"(1,5-dimethylhex-4-enyl)methylammonium chloride","N,6-dimethylhept-5-en-2-aminium chloride",[Cl-].C[NH2+]C(C)CCC=C(C)C,[Cl-].C[NH2+]C(C)CCC=C(C)C,"InChI=1/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H",C9H19N.ClH,,,,,,AUERTJOCDMCUAL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.649,228-213-6,8/06/6169,D-octan-2-ol,octan-2-ol,CCCCCCC(C)O,CCCCCCC(C)O,"InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",C8H18O,,,,,,SJWFXCIHNDVPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.657,228-222-5,6175-49-1,Dodecan-2-one,dodecan-2-one,CCCCCCCCCCC(=O)C,CCCCCCCCCCC(=O)C,"InChI=1/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3",C12H24O,,,,,,LSKONYYRONEBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.659,228-224-6,6178-32-1,[(p-nonylphenoxy)methyl]oxirane,2-[(4-nonylphenoxy)methyl]oxirane,CCCCCCCCCc1ccc(OCC2CO2)cc1,CCCCCCCCCc1ccc(OCC2CO2)cc1,"InChI=1/C18H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-14-18-15-20-18/h10-13,18H,2-9,14-15H2,1H3",C18H28O2,,,,,,AVKQYWUBGXNBCW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.660,228-225-1,6178-45-6,"Propyl 3,4,5-trimethoxybenzoate","propyl 3,4,5-trimethoxybenzoate",CCCOC(=O)c1cc(OC)c(OC)c(OC)c1,CCCOC(=O)c1cc(OC)c(OC)c(OC)c1,"InChI=1/C13H18O5/c1-5-6-18-13(14)9-7-10(15-2)12(17-4)11(8-9)16-3/h7-8H,5-6H2,1-4H3",C13H18O5,,,,,,FZUOVWLTJMRMHO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.662,228-227-2,6179-44-8,(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide,"N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,"InChI=1/C25H50N2O3.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30;/h4-23H2,1-3H3,(H-,26,28,29,30);1H2",C25H50N2O3,,,,,,RXXAIRNNVXVCPK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.663,228-228-8,6180-61-6,3-phenoxypropan-1-ol,3-phenoxypropan-1-ol,OCCCOc1ccccc1,OCCCOc1ccccc1,"InChI=1/C9H12O2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",C9H12O2,,,,,,AWVDYRFLCAZENH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.596,214-955-8,1225-20-3,"Sodium 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate","sodium 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate",[Na+].CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c1I,[Na+].CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c1I,"InChI=1/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1",C11H9I3N2O4.Na,,,,,,WCIMWHNSWLLELS-UHFFFAOYSA-M,,,,,,,,,,,
100.013.597,214-956-3,1225-55-4,Protriptyline hydrochloride,"3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-amine hydrochloride",Cl.CNCCCC1c2ccccc2C=Cc3ccccc13,Cl.CNCCCC1c2ccccc2C=Cc3ccccc13,"InChI=1/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3;1H",C19H21N.ClH,,,,,,OGQDIIKRQRZXJH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.699,226-068-3,5260-37-7,3-ethyl-2-methylbenzoxazolium iodide,"3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]1c(C)oc2ccccc12,[I-].CC[n+]1c(C)oc2ccccc12,"InChI=1/C10H12NO.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1",C10H12NO.I,,,,,,UZWYLWSUBQEUMC-UHFFFAOYSA-M,,,,,,,,,,,
100.023.711,226-081-4,5266-20-6,"Lithium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","lithium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",[Li+].[O-]C(=O)C1=CC(=O)NC(=O)N1,[Li+].[O-]C(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1",C5H4N2O4.Li,,,,,,IZJGDPULXXNWJP-UHFFFAOYSA-M,,,,,,,,,,,
100.023.715,226-086-1,5267-64-1,(R)-2-amino-3-phenylpropanol,2-amino-3-phenylpropan-1-ol,N[C@@H](CO)Cc1ccccc1,N[C@@H](CO)Cc1ccccc1,"InChI=1/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2",C9H13NO,,,,,,STVVMTBJNDTZBF-SECBINFHSA-N,,,,,,,,,,,
100.023.736,226-109-5,9/04/5281,Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate,calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate,[Ca+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Ca+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2",C18H14N2O6S.Ca,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16103,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.736,PZTQVMXMKVTIRC-UHFFFAOYSA-L,,,,,,,,,,,
100.023.737,226-110-0,5281-20-9,Acetone hydrazone,isopropylidenehydrazine,CC(=NN)C,CC(=NN)C,"InChI=1/C3H8N2/c1-3(2)5-4/h4H2,1-2H3",C3H8N2,,,,,,JIQXKYSNGXUDJU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.488,215-936-7,1455-21-6,Nonane-1-thiol,nonane-1-thiol,CCCCCCCCCS,CCCCCCCCCS,"InChI=1/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",C9H20S,,,,,,ZVEZMVFBMOOHAT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.491,215-939-3,1456-63-9,"1-amino-9,10-dihydro-N-(3-methoxypropyl)-4-nitro-9,10-dioxoanthracene-2-carboxamide","1-amino-N-(3-methoxypropyl)-4-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide",COCCCNC(=O)c1cc(c2C(=O)c3ccccc3C(=O)c2c1N)[N+](=O)[O-],COCCCNC(=O)c1cc(c2C(=O)c3ccccc3C(=O)c2c1N)[N+](=O)[O-],"InChI=1/C19H17N3O6/c1-28-8-4-7-21-19(25)12-9-13(22(26)27)14-15(16(12)20)18(24)11-6-3-2-5-10(11)17(14)23/h2-3,5-6,9H,4,7-8,20H2,1H3,(H,21,25)",C19H17N3O6,,,,,,JEIYUIDTNDWRJV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.495,215-944-0,1457-59-6,5-methyl-1H-4-carboxylic acid,5-methyl-1H-imidazole-4-carboxylic acid,Cc1[nH]cnc1C(=O)O,Cc1[nH]cnc1C(=O)O,"InChI=1/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)",C5H6N2O2,,,,,,ULHLTDXPKWELHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.497,215-946-1,1458-01-1,"Methyl 3,5-diamino-6-chloropyrazinecarboxylate","methyl 3,5-diamino-6-chloropyrazine-2-carboxylate",COC(=O)c1nc(Cl)c(N)nc1N,COC(=O)c1nc(Cl)c(N)nc1N,"InChI=1/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)",C6H7ClN4O2,,,,,,KOOBYHRLTYIPTH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.501,215-950-3,1459-10-5,Tetradecylbenzene,tetradecylbenzene,CCCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCCc1ccccc1,"InChI=1/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3",C20H34,,,,,,JZALLXAUNPOCEU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.505,215-955-0,1460-34-0,3-methyl-2-oxovaleric acid,3-methyl-2-oxopentanoic acid,CCC(C)C(=O)C(=O)O,CCC(C)C(=O)C(=O)O,"InChI=1/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",C6H10O3,,,,,,JVQYSWDUAOAHFM-UHFFFAOYSA-N,Negative,,,,,,ML001451,[M-H]-,HCD50,129.0555:129.0198:85.0295,MetaboLights
100.014.510,215-960-8,1461-25-2,Tetrabutyltin,tetrabutylstannane,CCCC[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)CCCC,"InChI=1/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;/rC16H36Sn/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C16H36Sn,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13445,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.510,AFCAKJKUYFLYFK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.513,215-963-4,1462-03-9,1-methylcyclopentanol,1-methylcyclopentanol,CC1(O)CCCC1,CC1(O)CCCC1,"InChI=1/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3",C6H12O,,,,,,CAKWRXVKWGUISE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.514,215-965-5,1462-12-0,Diethyl ethylidenemalonate,diethyl ethylidenemalonate,CCOC(=O)C(=CC)C(=O)OCC,CCOC(=O)C(=CC)C(=O)OCC,"InChI=1/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3",C9H14O4,,,,,,LBBAWVLUOZVYCC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.596,230-355-9,7065-22-7,Oxybis[diphenylstibine],tetraphenyldistiboxane,O([Sb](c1ccccc1)c2ccccc2)[Sb](c3ccccc3)c4ccccc4,O([Sb](c1ccccc1)c2ccccc2)[Sb](c3ccccc3)c4ccccc4,InChI=1/4C6H5.O.2Sb/c4*1-2-4-6-5-3-1;;;/h4*1-5H;;;/rC24H20OSb2/c1-5-13-21(14-6-1)26(22-15-7-2-8-16-22)25-27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,C24H20OSb2,,,,,,CSVAYJHTGPLYJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.602,230-362-7,7069-41-2,(E)-tridecen-2-al,tridec-2-enal,CCCCCCCCCCC=CC=O,CCCCCCCCCCC=CC=O,"InChI=1/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3",C13H24O,,,,,,VMUNAKQXJLHODT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.605,230-365-3,7071-89-8,"Fluoren-2,5-ylenediamine","9H-fluorene-2,5-diamine",Nc1ccc2c(Cc3cccc(N)c23)c1,Nc1ccc2c(Cc3cccc(N)c23)c1,"InChI=1/C13H12N2/c14-10-4-5-11-9(7-10)6-8-2-1-3-12(15)13(8)11/h1-5,7H,6,14-15H2",C13H12N2,,,,,,RRLKPKUPGAXIQP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.608,230-369-5,7073-93-0,m-chlorocumene,1-chloro-3-isopropylbenzene,CC(C)c1cccc(Cl)c1,CC(C)c1cccc(Cl)c1,"InChI=1/C9H11Cl/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,1-2H3",C9H11Cl,,,,,,MCGSDKVOKTWDRB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.616,230-377-9,7077-55-6,2-[[4-(dimethylamino)phenyl]azo]-1-methylpyridinium methyl sulphate,2-{[4-(dimethylamino)phenyl]diazenyl}-1-methylpyridinium methyl sulfate,[O-]S(=O)(=O)OC.CN(C)c2ccc(N=Nc1cccc[n+]1C)cc2,[O-]S(=O)(=O)OC.CN(C)c2ccc(N=Nc1cccc[n+]1C)cc2,"InChI=1/C14H17N4.CH4O4S/c1-17(2)13-9-7-12(8-10-13)15-16-14-6-4-5-11-18(14)3;1-5-6(2,3)4/h4-11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C14H17N4.CH3O4S,,,,,,NLEHFKASPKAUJA-UHFFFAOYSA-M,,,,,,,,,,,
100.027.617,230-378-4,7081-78-9,1-chloro-1-ethoxyethane,1-chloro-1-ethoxyethane,CCOC(C)Cl,CCOC(C)Cl,"InChI=1/C4H9ClO/c1-3-6-4(2)5/h4H,3H2,1-2H3",C4H9ClO,,,,,,URGLIMIKUNFFMT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.334,226-767-3,5465-28-1,2-ethyl-2-phenylbutyric acid,2-ethyl-2-phenylbutanoic acid,CCC(CC)(C(=O)O)c1ccccc1,CCC(CC)(C(=O)O)c1ccccc1,"InChI=1/C12H16O2/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14)",C12H16O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15854,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.334,PYXQBGGQMBEYLO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.341,226-775-7,5466-77-3,2-ethylhexyl 4-methoxycinnamate,2-ethylhexyl 3-(4-methoxyphenyl)acrylate,CCCCC(CC)COC(=O)\\C=C\\c1ccc(OC)cc1,CCCCC(CC)COC(=O)\C=C\c1ccc(OC)cc1,"InChI=1/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3",C18H26O3,,,,,,YBGZDTIWKVFICR-JLHYYAGUSA-N,,,,,,,,,,,
100.024.342,226-776-2,5466-84-2,4-nitrophthalic anhydride,"5-nitro-2-benzofuran-1,3-dione",[O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1,[O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1,InChI=1/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H,C8H3NO5,,,,,,MMVIDXVHQANYAE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.343,226-777-8,5466-90-0,"2-(1,3(2H)-dioxo-1H-isoindol-2-yl)ethyl acetate","2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl acetate",CC(=O)OCCN1C(=O)c2ccccc2C1=O,CC(=O)OCCN1C(=O)c2ccccc2C1=O,"InChI=1/C12H11NO4/c1-8(14)17-7-6-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3",C12H11NO4,,,,,,FFWAFIBEOZWDJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.347,226-782-5,5467-94-7,"a,a-dicyanobenzyl benzoate",dicyano(phenyl)methyl benzoate,O=C(OC(C#N)(C#N)c1ccccc1)c2ccccc2,O=C(OC(C#N)(C#N)c1ccccc1)c2ccccc2,"InChI=1/C16H10N2O2/c17-11-16(12-18,14-9-5-2-6-10-14)20-15(19)13-7-3-1-4-8-13/h1-10H",C16H10N2O2,,,,,,ZVSMJEBFSMHOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.358,226-794-0,5469-26-1,"1-bromo-3,3-dimethylbutan-2-one","1-bromo-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)CBr,CC(C)(C)C(=O)CBr,"InChI=1/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3",C6H11BrO,,,,,,SAIRZMWXVJEBMO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.366,226-802-2,5470-34-8,N-(4-methoxyphenyl)formamide,N-(4-methoxyphenyl)formamide,COc1ccc(NC=O)cc1,COc1ccc(NC=O)cc1,"InChI=1/C8H9NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-6H,1H3,(H,9,10)",C8H9NO2,,,,,,SXEVZVMJNXOXIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.373,226-810-6,5472-13-9,a-o-tolylbenzyl alcohol,(2-methylphenyl)(phenyl)methanol,Cc1ccccc1C(O)c2ccccc2,Cc1ccccc1C(O)c2ccccc2,"InChI=1/C14H14O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14-15H,1H3",C14H14O,,,,,,MXHXXJOHFRHBFB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.001,228-601-5,6303-21-5,Phosphinic acid,phosphinic acid,OP=O,OP=O,"InChI=1/HO2P/c1-3-2/h(H,1,2)",H3O2P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14343,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.001,GQZXNSPRSGFJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.003,228-603-6,6303-58-8,4-phenoxybutyric acid,4-phenoxybutanoic acid,OC(=O)CCCOc1ccccc1,OC(=O)CCCOc1ccccc1,"InChI=1/C10H12O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)",C10H12O3,,,,,,YKYVPFIBWVQZCE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.004,228-604-1,6303-75-9,Pentylpyrazine,2-pentylpyrazine,CCCCCc1cnccn1,CCCCCc1cnccn1,"InChI=1/C9H14N2/c1-2-3-4-5-9-8-10-6-7-11-9/h6-8H,2-5H2,1H3",C9H14N2,,,,,,KNDDHUQSPNJCKY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.963,230-760-0,2/04/7307,"5,5-dimethylhexane-2,4-dione","5,5-dimethylhexane-2,4-dione",CC(=O)CC(=O)C(C)(C)C,CC(=O)CC(=O)C(C)(C)C,"InChI=1/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3",C8H14O2,,,,,,LCLCVVVHIPPHCG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.973,230-771-0,7311-30-0,N-methyldodecylamine,N-methyldodecan-1-amine,CCCCCCCCCCCCNC,CCCCCCCCCCCCNC,"InChI=1/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3",C13H29N,,,,,,OMEMQVZNTDHENJ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.689,207-356-8,464-72-2,"1,1,2,2-tetraphenylethane-1,2-diol","1,1,2,2-tetraphenylethane-1,2-diol",OC(c1ccccc1)(c2ccccc2)C(O)(c3ccccc3)c4ccccc4,OC(c1ccccc1)(c2ccccc2)C(O)(c3ccccc3)c4ccccc4,"InChI=1/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H",C26H22O2,,,,,,MFEWNFVBWPABCX-UHFFFAOYSA-N,,,,,,,,,,,
100.006.693,207-361-5,465-16-7,"16ß-acetoxy-3ß-(2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyloxy)-14-hydroxycard-20(22)-enolide","16-acetoxy-3-[(2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide",CO[C@H]1CC(O[C@H]2CC[C@@]3(C)C(CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O,CO[C@H]1CC(O[C@H]2CC[C@@]3(C)C(CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O,"InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3",C32H48O9,,,,,,JLPDBLFIVFSOCC-SKXDLITLSA-N,,,,,,,,,,,
100.006.694,207-362-0,465-27-0,1-[1-(p-tolyl)ethyl] hydrogen camphorate,"2,2,3-trimethyl-3-{[1-(4-methylphenyl)ethoxy]carbonyl}cyclopentanecarboxylic acid",CC(OC(=O)C1(C)CCC(C(=O)O)C1(C)C)c2ccc(C)cc2,CC(OC(=O)C1(C)CCC(C(=O)O)C1(C)C)c2ccc(C)cc2,"InChI=1/C19H26O4/c1-12-6-8-14(9-7-12)13(2)23-17(22)19(5)11-10-15(16(20)21)18(19,3)4/h6-9,13,15H,10-11H2,1-5H3,(H,20,21)",C19H26O4,,,,,,KRWZVKRKTWCYPR-UHFFFAOYSA-N,,,,,,,,,,,
100.006.697,207-365-7,465-65-6,Naloxone,"17-allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-one",Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2",C19H21NO4,,,,,,UZHSEJADLWPNLE-GRGSLBFTSA-N,,,,,,,,,,,
100.006.706,207-375-1,466-37-5,"2,2,2-triphenylacetophenone",tetraphenylethanone,O=C(c1ccccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,O=C(c1ccccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C26H20O,,,,,,CFBBKHROQRFCNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.708,207-377-2,466-90-0,Thebacon,"3-methoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan-6-yl acetate",CC(=O)O\\C1=C\\C[C@H]5[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CCN2C)c34,CC(=O)O\C1=C\C[C@H]5[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CCN2C)c34,"InChI=1/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6-7,13-14,19H,5,8-10H2,1-3H3",C20H23NO4,,,,,,RRJQTGHQFYTZOW-ILWKUFEGSA-N,,,,,,,,,,,
100.006.712,207-381-4,466-97-7,Normorphine,"7,8-didehydro-4,5-epoxymorphinan-3,6-diol",O[C@H]4\\C=C/[C@H]5[C@@H]1NCC[C@@]35[C@H]4Oc2c3c(C1)ccc2O,O[C@H]4\C=C/[C@H]5[C@@H]1NCC[C@@]35[C@H]4Oc2c3c(C1)ccc2O,"InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2",C16H17NO3,,,,,,ONBWJWYUHXVEJS-ZTYRTETDSA-N,,,,,,,,,,,
100.006.723,207-394-5,467-60-7,Pipradrol,diphenyl(piperidin-2-yl)methanol,OC(C1CCCCN1)(c2ccccc2)c3ccccc3,OC(C1CCCCN1)(c2ccccc2)c3ccccc3,"InChI=1/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2",C18H21NO,,,,,,XSWHNYGMWWVAIE-UHFFFAOYSA-N,,,,,,,,,,,
100.006.728,207-399-2,467-83-4,Dipipanone,"4,4-diphenyl-6-piperidin-1-ylheptan-3-one",CCC(=O)C(CC(C)N1CCCCC1)(c2ccccc2)c3ccccc3,CCC(=O)C(CC(C)N1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3",C24H31NO,,,,,,SVDHSZFEQYXRDC-UHFFFAOYSA-N,,,,,,,,,,,
100.006.731,207-402-7,467-86-7,Dioxaphetyl butyrate,"ethyl 4-morpholin-4-yl-2,2-diphenylbutanoate",CCOC(=O)C(CCN1CCOCC1)(c2ccccc2)c3ccccc3,CCOC(=O)C(CCN1CCOCC1)(c2ccccc2)c3ccccc3,"InChI=1/C22H27NO3/c1-2-26-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3",C22H27NO3,,,,,,LQGIXNQCOXNCRP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.394,226-833-1,5497-58-5,Ammonium 5-oxo-DL-prolinate,ammonium 5-oxopyrrolidine-2-carboxylate,[NH4+].[O-]C(=O)[C@@H]1CCC(=O)N1,[NH4+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.H3N/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);1H3",C5H7NO3.H3N,,,,,,PYJZQCNNPABSAE-DFWYDOINSA-N,,,,,,,,,,,
100.024.404,226-844-1,5504-92-7,2-bromo-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide,2-bromo-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide,Clc1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2Cl,Clc1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2Cl,"InChI=1/C15H10BrCl2NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)",C15H10BrCl2NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16623,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.404,JQMAWYRGSOSWNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.408,226-848-3,5505-72-6,"2,4,6-trimethyl-2,4,6-trivinylcyclotrisilazane","2,4,6-trimethyl-2,4,6-trivinyl-1,3,5,2,4,6-triazatrisilinane",C[Si]1(N[Si](C)(N[Si](C)(N1)C=C)C=C)C=C,C[Si]1(N[Si](C)(N[Si](C)(N1)C=C)C=C)C=C,"InChI=1/C9H21N3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-12H,1-3H2,4-6H3",C9H21N3Si3,,,,,,RFSBGZWBVNPVNN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.411,226-852-5,5508-58-7,"3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl]ethylidene]dihydro-4-hydroxyfuran-2(3H)-one","2,14,16-trihydroxy-20-oxo-9,19-didehydro-5,6,7,8,9,10,11,14,15-decahydro-20:5,10-dicycloretinal",OC3COC(=O)C3=CCC1C(=C)CCC2C(C)(CO)C(O)CCC12C,OC3COC(=O)C3=CCC1C(=C)CCC2C(C)(CO)C(O)CCC12C,"InChI=1/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3",C20H30O5,,,,,,BOJKULTULYSRAS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.674,228-240-3,5/10/6192,Praseodymium(3+) stearate,praseodymium trioctadecanoate,[Pr+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Pr+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O2.Pr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H36O2.1/3Pr,,,,,,HKITTYDLDOKDRC-UHFFFAOYSA-K,,,,,,,,,,,
100.025.675,228-241-9,6/11/6192,Neodymium(3+) stearate,neodymium trioctadecanoate,[Nd+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Nd+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O2.Nd/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H36O2.1/3Nd,,,,,,SIINVGJQWZKNSJ-UHFFFAOYSA-K,,,,,,,,,,,
100.030.295,233-338-4,10124-52-4,"Diphosphoric acid, potassium salt",potassium trihydrogen diphosphate,[K+].OP(=O)(O)OP(=O)(O)[O-],[K+].OP(=O)(O)OP(=O)(O)[O-],"InChI=1/K.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;/p-1",H4O7P2.xK,,,,,,NNGFQKDWQCEMIO-UHFFFAOYSA-M,,,,,,,,,,,
100.030.300,233-344-7,10124-65-9,Potassium laurate,potassium laurate,[K+].CCCCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1",C12H24O2.K,,,,,,HIDKSOTTZRMUML-UHFFFAOYSA-M,,,,,,,,,,,
100.030.306,233-351-5,10126-92-8,"Disodium 6-chloro-6'-methoxy-4-methyl[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulphate","disodium 6-chloro-6'-methoxy-4-methyl-2,2'-bi-1-benzothiene-3,3'-diyl disulfate",[Na+].[Na+].COc1ccc2c(OS(=O)(=O)[O-])c(sc2c1)c3sc4cc(Cl)cc(C)c4c3OS(=O)(=O)[O-],[Na+].[Na+].COc1ccc2c(OS(=O)(=O)[O-])c(sc2c1)c3sc4cc(Cl)cc(C)c4c3OS(=O)(=O)[O-],"InChI=1/C18H13ClO9S4.2Na/c1-8-5-9(19)6-13-14(8)16(28-32(23,24)25)18(30-13)17-15(27-31(20,21)22)11-4-3-10(26-2)7-12(11)29-17;;/h3-7H,1-2H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C18H13ClO9S4.2Na,,,,,,SJHIKXIBGBSJQX-UHFFFAOYSA-L,,,,,,,,,,,
100.030.307,233-352-0,10126-97-3,"Disodium 5,6',7-trichloro-4,4'-dimethyl[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulphate","disodium 5,6',7-trichloro-4,4'-dimethyl-2,2'-bi-1-benzothiene-3,3'-diyl disulfate",[Na+].[Na+].Cc1cc(Cl)cc2sc(c(OS(=O)(=O)[O-])c12)c3sc4c(Cl)cc(Cl)c(C)c4c3OS(=O)(=O)[O-],[Na+].[Na+].Cc1cc(Cl)cc2sc(c(OS(=O)(=O)[O-])c12)c3sc4c(Cl)cc(Cl)c(C)c4c3OS(=O)(=O)[O-],"InChI=1/C18H11Cl3O8S4.2Na/c1-6-3-8(19)4-11-12(6)14(28-32(22,23)24)17(30-11)18-15(29-33(25,26)27)13-7(2)9(20)5-10(21)16(13)31-18;;/h3-5H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H11Cl3O8S4.2Na,,,,,,CVKRHGKUFSPPPK-UHFFFAOYSA-L,,,,,,,,,,,
100.030.309,233-354-1,10127-03-4,"4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-phenylnaphthalene-2-carboxamide]","4,4'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-hydroxy-N-phenyl-2-naphthamide)",COc4cc(ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c8ccc(N=Nc6c7ccccc7cc(C(=O)Nc5ccccc5)c6O)c(OC)c8,COc4cc(ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c8ccc(N=Nc6c7ccccc7cc(C(=O)Nc5ccccc5)c6O)c(OC)c8,"InChI=1/C48H36N6O6/c1-59-41-27-29(21-23-39(41)51-53-43-35-19-11-9-13-31(35)25-37(45(43)55)47(57)49-33-15-5-3-6-16-33)30-22-24-40(42(28-30)60-2)52-54-44-36-20-12-10-14-32(36)26-38(46(44)56)48(58)50-34-17-7-4-8-18-34/h3-28,55-56H,1-2H3,(H,49,57)(H,50,58)",C48H36N6O6,,,,,,FUWKVWMULKARSR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.323,233-369-3,10132-07-7,"2,6-dichloropyrimidin-4-amine","2,6-dichloropyrimidin-4-amine",Nc1cc(Cl)nc(Cl)n1,Nc1cc(Cl)nc(Cl)n1,"InChI=1/C4H3Cl2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)",C4H3Cl2N3,,,,,,UPVBKNZVOJNQKE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.325,233-371-4,10132-98-6,Sodium 6-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-5-hydroxynaphthalene-1-sulphonate,sodium 6-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate,[Na+].Oc3c(N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O)cc(cc3Cl)[N+]([O-])=O,[Na+].Oc3c(N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O)cc(cc3Cl)[N+]([O-])=O,"InChI=1/C16H10ClN3O7S.Na/c17-11-6-8(20(23)24)7-13(16(11)22)19-18-12-5-4-9-10(15(12)21)2-1-3-14(9)28(25,26)27;/h1-7,21-22H,(H,25,26,27);/q;+1/p-1",C16H10ClN3O7S.Na,,,,,,CQOINLYSGRJZFD-UHFFFAOYSA-M,,,,,,,,,,,
100.030.326,233-373-5,10132-99-7,"Sodium 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-{4-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-][N+](=O)c3cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(O)c(Cl)c3,[Na+].[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(O)c(Cl)c3,"InChI=1/C16H12ClN5O7S.Na/c1-8-14(19-18-13-7-10(22(25)26)6-12(17)15(13)23)16(24)21(20-8)9-2-4-11(5-3-9)30(27,28)29;/h2-7,14,23H,1H3,(H,27,28,29);/q;+1/p-1",C16H12ClN5O7S.Na,,,,,,RDHAIEOCNXBZAH-UHFFFAOYSA-M,,,,,,,,,,,
100.030.327,233-374-0,10134-33-5,Trisodium 8-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-5-[[4-(phenylazo)-7-sulphonatonaphthyl]azo]naphthalene-2-sulphonate,trisodium 6-amino-4-hydroxy-3-[(4-{[4-(phenyldiazenyl)-7-sulfonato-1-naphthyl]diazenyl}-7-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc7c(cc1)c(N=Nc2ccccc2)ccc7N=Nc6ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc7c(cc1)c(N=Nc2ccccc2)ccc7N=Nc6ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O,"InChI=1/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-33-15-13-31(26-11-9-24(19-29(26)33)55(48,49)50)40-41-32-14-12-30(39-38-22-4-2-1-3-5-22)25-10-8-23(18-28(25)32)54(45,46)47;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C36H25N7O10S3.3Na,,,,,,ZFTFEZINIDLJDJ-UHFFFAOYSA-K,,,,,,,,,,,
100.014.521,215-972-3,1463-01-0,"6-ethyl-2,3-dimethylpyridine","6-ethyl-2,3-dimethylpyridine",CCc1ccc(C)c(C)n1,CCc1ccc(C)c(C)n1,"InChI=1/C9H13N/c1-4-9-6-5-7(2)8(3)10-9/h5-6H,4H2,1-3H3",C9H13N,,,,,,MMOOOQAABWPBQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.522,215-973-9,1463-10-1,5-methyluridine,5-methyluridine,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O,"InChI=1/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)",C10H14N2O6,,,,,,DWRXFEITVBNRMK-JXOAFFINSA-N,,,,,,,,,,,
100.014.531,215-983-3,1466-48-4,4-(2-cyanoethyl)-4-nitroheptanedinitrile,4-(2-cyanoethyl)-4-nitroheptanedinitrile,[O-][N+](=O)C(CCC#N)(CCC#N)CCC#N,[O-][N+](=O)C(CCC#N)(CCC#N)CCC#N,"InChI=1/C10H12N4O2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-6H2",C10H12N4O2,,,,,,MUPJJZVGSOUSFH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.537,215-990-1,1467-70-5,a-oxofuran-2-acetic acid,2-furyl(oxo)acetic acid,OC(=O)C(=O)c1occc1,OC(=O)C(=O)c1occc1,"InChI=1/C6H4O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)",C6H4O4,,,,,,IXVPCJUAKDVYKX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.284,215-712-9,1345-02-4,Aluminium potassium silicate(3:1:3),aluminium potassium silicate(3:1:3),[AlH3].[AlH3].[AlH3].[KH].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[AlH3].[AlH3].[AlH3].[KH].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/3Al.K.3O3Si.10H/c;;;;3*1-4(2)3;;;;;;;;;;/q3*+3;+1;3*-2;;;;;;;;;;/r3AlH3.HK.3O3Si/c;;;;3*1-4(2)3/h3*1H3;1H;;;/q3*+3;+1;3*-2,Al.H4O4Si.1/3K,,,,,,TXNHBPNXKRTKOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.300,215-730-7,1392-82-1,"ß-D-glucopyranosyl 22(R),28-epoxy-1a,3ß,24(S),28-tetrahydroxy-4a,14-dimethyl-9,19-cycloergostane-4-carboxylate","1-O-[(1,3,24,28-tetrahydroxy-4,14-dimethyl-22,28-epoxy-9,19-cycloergostan-4-yl)carbonyl]hexopyranose",CC(C)C1(O)CC(OC1O)C(C)C2CCC3(C)C4CCC5C(C)(C(O)CC(O)C56CC46CCC23C)C(=O)OC7OC(CO)C(O)C(O)C7O,CC(C)C1(O)CC(OC1O)C(C)C2CCC3(C)C4CCC5C(C)(C(O)CC(O)C56CC46CCC23C)C(=O)OC7OC(CO)C(O)C(O)C7O,"InChI=1/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3",C37H60O12,,,,,,KKUOJZVNLJCTPF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.313,215-744-3,1398-61-4,Chitin,"2-acetamido-1,5-anhydro-2-deoxyhexitol",CC(=O)NC1COC(CO)C(O)C1O,CC(=O)NC1COC(CO)C(O)C1O,"InChI=1/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)",-,,,,,,VCYYRDKGHLOTQU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.314,215-745-9,1398-78-3,Colocynthin,"2-(beta-D-glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate",CC(=O)OC(C)(C)C=CC(=O)[C@](C)(O)C5[C@H](O)C[C@]4(C)[C@]5(C)CC(=O)[C@]3(C)[C@H]4C\\C=C2/[C@H]3/C=C(/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C2(C)C,CC(=O)OC(C)(C)C=CC(=O)[C@](C)(O)C5[C@H](O)C[C@]4(C)[C@]5(C)CC(=O)[C@]3(C)[C@H]4C\C=C2/[C@H]3/C=C(/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C2(C)C,"InChI=1/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3",C38H54O13,,,,,,QKEJRKXVLGOJMB-WEQBYUBOSA-N,,,,,,,,,,,
100.014.317,215-749-0,1400-61-9,Nystatin,"octadeca-9,11,13,15-tetraenoic acid",CCC=CC=CC=CC=CCCCCCCCC(=O)O,CCC=CC=CC=CC=CCCCCCCCC(=O)O,"InChI=1/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)",-,,,,,,IJTNSXPMYKJZPR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.598,214-957-9,1225-60-1,Isothipendyl hydrochloride,"N,N-dimethyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-2-amine hydrochloride",Cl.CC(CN1c2ccccc2Sc3cccnc13)N(C)C,Cl.CC(CN1c2ccccc2Sc3cccnc13)N(C)C,"InChI=1/C16H19N3S.ClH/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19;/h4-10,12H,11H2,1-3H3;1H",C16H19N3S.ClH,,,,,,RQHCFTORMXCNGP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.605,214-965-2,1228-53-1,Bis(3-nitrophenyl) sulphone,"1,1'-sulfonylbis(3-nitrobenzene)",[O-][N+](=O)c1cccc(c1)S(=O)(=O)c2cccc(c2)[N+](=O)[O-],[O-][N+](=O)c1cccc(c1)S(=O)(=O)c2cccc(c2)[N+](=O)[O-],"InChI=1/C12H8N2O6S/c15-13(16)9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)14(17)18/h1-8H",C12H8N2O6S,,,,,,AKAXCFAQCKRJOT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.612,214-973-6,1234-35-1,N2-[(phenylmethoxy)carbonyl]-L-arginine,N~2~-[(benzyloxy)carbonyl]-L-arginine,NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)",C14H20N4O4,,,,,,SJSSFUMSAFMFNM-NSHDSACASA-N,,,,,,,,,,,
100.013.617,214-978-3,1236-99-3,Levomepromazine hydrochloride,"3-(2-methoxy-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine hydrochloride",Cl.COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1,Cl.COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1,"InChI=1/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H",C19H24N2OS.ClH,,,,,,ODLGFPIWRAEFAN-PFEQFJNWSA-N,,,,,,,,,,,
100.013.618,214-979-9,1237-52-1,N-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]acetamide,N-(1-benzylpiperidin-4-yl)-N-phenylacetamide,CC(=O)N(C1CCN(Cc2ccccc2)CC1)c3ccccc3,CC(=O)N(C1CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C20H24N2O/c1-17(23)22(19-10-6-3-7-11-19)20-12-14-21(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3",C20H24N2O,,,,,,UKGXYSOSRSCGJB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.982,230-781-5,7316-92-9,"3-(4-oxocyclohexa-2,5-dien-1-ylidene)carbazamidine","2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinecarboximidamide",NC(=N)NN=C1C=CC(=O)C=C1,NC(=N)NN=C1C=CC(=O)C=C1,"InChI=1/C7H8N4O/c8-7(9)11-10-5-1-3-6(12)4-2-5/h1-4H,(H4,8,9,11)",C7H8N4O,,,,,,SONVVDBBKOJLQF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.997,230-797-2,7324-74-5,"Benzyl (Z,Z)-8,8-dibutyl-3,6,10-trioxo-1-phenyl-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate","benzyl 8,8-dibutyl-3,6,10-trioxo-1-phenyl-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate",CCCC[Sn](CCCC)(OC(=O)\\C=C/C(=O)OCc1ccccc1)OC(=O)\\C=C/C(=O)OCc2ccccc2,CCCC[Sn](CCCC)(OC(=O)\C=C/C(=O)OCc1ccccc1)OC(=O)\C=C/C(=O)OCc2ccccc2,"InChI=1/2C11H10O4.2C4H9.Sn/c2*12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;2*1-3-4-2;/h2*1-7H,8H2,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC30H36O8Sn/c1-3-5-21-39(22-6-4-2,37-29(33)19-17-27(31)35-23-25-13-9-7-10-14-25)38-30(34)20-18-28(32)36-24-26-15-11-8-12-16-26/h7-20H,3-6,21-24H2,1-2H3",C30H36O8Sn,,,,,,TUALPPJDVFLVNQ-KUAKSMGGSA-L,,,,,,,,,,,
100.023.959,226-355-3,5367-28-2,3-chloro-6-nitrotoluene,4-chloro-2-methyl-1-nitrobenzene,Cc1cc(Cl)ccc1[N+](=O)[O-],Cc1cc(Cl)ccc1[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3",C7H6ClNO2,,,,,,NSMZCUAVEOTJDS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.961,226-357-4,5368-74-1,"1,1'(dodecane-1,12-diyl)dibenzene","1,1'-dodecane-1,12-diyldibenzene",C(CCCCCCc1ccccc1)CCCCCc2ccccc2,C(CCCCCCc1ccccc1)CCCCCc2ccccc2,"InChI=1/C24H34/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h9-10,13-16,19-22H,1-8,11-12,17-18H2",C24H34,,,,,,HPRCVSQCDUCIIA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.964,226-361-6,5369-19-7,3-tert-butylaniline,3-tert-butylaniline,CC(C)(C)c1cccc(N)c1,CC(C)(C)c1cccc(N)c1,"InChI=1/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3",C10H15N,,,,,,DPKTVUKEPNBABS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.971,226-368-4,5377-20-8,Metomidate,methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate,COC(=O)c1cncn1C(C)c2ccccc2,COC(=O)c1cncn1C(C)c2ccccc2,"InChI=1/C13H14N2O2/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2/h3-10H,1-2H3",C13H14N2O2,,,,,,FHFZEKYDSVTYLL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.973,226-371-0,5380-42-7,Methyl thenoate,methyl thiophene-2-carboxylate,COC(=O)c1cccs1,COC(=O)c1cccs1,"InChI=1/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3",C6H6O2S,,,,,,PGBFYLVIMDQYMS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.974,226-372-6,5380-87-0,"2-[(2,3-epoxypropoxy)methyl]furan",2-[(oxiran-2-ylmethoxy)methyl]furan,C(OCc1occc1)C2CO2,C(OCc1occc1)C2CO2,"InChI=1/C8H10O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h1-3,8H,4-6H2",C8H10O3,,,,,,RUGWIVARLJMKDM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.975,226-373-1,5382-16-1,Piperidin-4-ol,piperidin-4-ol,OC1CCNCC1,OC1CCNCC1,"InChI=1/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2",C5H11NO,,,,,,HDOWRFHMPULYOA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.981,226-379-4,5388-47-6,"Cyclooctane-1,4-diol","cyclooctane-1,4-diol",OC1CCCCC(O)CC1,OC1CCCCC(O)CC1,"InChI=1/C8H16O2/c9-7-3-1-2-4-8(10)6-5-7/h7-10H,1-6H2",C8H16O2,,,,,,BIYRBPAUTLBNTB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.986,226-385-7,5390-61-4,Propyl dichlorodithiophosphate,propyl dichlorodithiophosphate,CCCSP(=S)(Cl)Cl,CCCSP(=S)(Cl)Cl,"InChI=1/C3H7Cl2PS2/c1-2-3-8-6(4,5)7/h2-3H2,1H3",C3H7Cl2PS2,,,,,,LYNQYRBGWINIFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.989,226-388-3,5391-39-9,1-acetyl-2-imidazolidinone,1-acetylimidazolidin-2-one,CC(=O)N1CCNC1=O,CC(=O)N1CCNC1=O,"InChI=1/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)",C5H8N2O2,,,,,,JJWACYUTERPMBM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.991,226-390-4,9/10/5392,"6-bromo-3,4-dimethoxybenzaldehyde","2-bromo-4,5-dimethoxybenzaldehyde",COc1cc(Br)c(C=O)cc1OC,COc1cc(Br)c(C=O)cc1OC,"InChI=1/C9H9BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3",C9H9BrO3,,,,,,UQQROBHFUDBOOK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.995,226-395-1,5392-67-6,1-(4-nitrophenyl)-3-(4-phenylazophenyl)triazene,1-(4-nitrophenyl)-3-[4-(phenyldiazenyl)phenyl]triaz-1-ene,[O-][N+](=O)c3ccc(N=NNc1ccc(cc1)N=Nc2ccccc2)cc3,[O-][N+](=O)c3ccc(N=NNc1ccc(cc1)N=Nc2ccccc2)cc3,"InChI=1/C18H14N6O2/c25-24(26)18-12-10-17(11-13-18)22-23-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13H,(H,21,22)",C18H14N6O2,,,,,,SMMIDVLUFMPWFN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.998,226-398-8,5393-19-1,Octyl hydrogen phthalate,2-[(octyloxy)carbonyl]benzoic acid,CCCCCCCCOC(=O)c1ccccc1C(=O)O,CCCCCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)",C16H22O4,,,,,,PKIYFBICNICNGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.999,226-399-3,5393-46-4,N-(3-nitrobiphenyl-4-yl)acetamide,N-(3-nitrobiphenyl-4-yl)acetamide,CC(=O)Nc1ccc(cc1[N+](=O)[O-])c2ccccc2,CC(=O)Nc1ccc(cc1[N+](=O)[O-])c2ccccc2,"InChI=1/C14H12N2O3/c1-10(17)15-13-8-7-12(9-14(13)16(18)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)",C14H12N2O3,,,,,,JKXVEWTVBFBXAA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.252,233-292-5,10108-22-2,3-hydroxypropyl laurate,3-hydroxypropyl laurate,CCCCCCCCCCCC(=O)OCCCO,CCCCCCCCCCCC(=O)OCCCO,"InChI=1/C15H30O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)18-14-11-13-16/h16H,2-14H2,1H3",C15H30O3,,,,,,CVYRIYSTCBFCIE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.416,226-857-2,5513-39-3,Benzyl N-benzyloxycarbonyl-DL-alaninate,benzyl N-[(benzyloxy)carbonyl]-D-alaninate,C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2,C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2,"InChI=1/C18H19NO4/c1-14(17(20)22-12-15-8-4-2-5-9-15)19-18(21)23-13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,19,21)",C18H19NO4,,,,,,CAFULDPKQDKWIN-AWEZNQCLSA-N,,,,,,,,,,,
100.024.420,226-861-4,5516-22-3,"7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2-benzopyrone","7-{[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino}-3-phenyl-2H-chromen-2-one",CCN(CC)c1nc(Cl)nc(Nc2ccc3C=C(C(=O)Oc3c2)c4ccccc4)n1,CCN(CC)c1nc(Cl)nc(Nc2ccc3C=C(C(=O)Oc3c2)c4ccccc4)n1,"InChI=1/C22H20ClN5O2/c1-3-28(4-2)22-26-20(23)25-21(27-22)24-16-11-10-15-12-17(14-8-6-5-7-9-14)19(29)30-18(15)13-16/h5-13H,3-4H2,1-2H3,(H,24,25,26,27)",C22H20ClN5O2,,,,,,RWZSFMOHCSPTDM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.421,226-863-5,5517-35-1,"m-tolyl p-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]benzenesulphonate","3-methylphenyl 4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]benzenesulfonate",Cc1cccc(OS(=O)(=O)c2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2)c1,Cc1cccc(OS(=O)(=O)c2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2)c1,"InChI=1/C27H19NO7S/c1-15-5-4-6-17(13-15)35-36(32,33)18-11-9-16(10-12-18)34-22-14-21(29)23-24(25(22)28)27(31)20-8-3-2-7-19(20)26(23)30/h2-14,29H,28H2,1H3",C27H19NO7S,,,,,,GDBXXYSGUYHFMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.423,226-865-6,5520-20-7,"Isopropylammonium 3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propyl sulphate","propan-2-aminium 3-{1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl}propyl sulfate",CC(C)[NH3+].C[Si](C)(C)O[Si](C)(CCCOS(=O)(=O)[O-])O[Si](C)(C)C,CC(C)[NH3+].C[Si](C)(C)O[Si](C)(CCCOS(=O)(=O)[O-])O[Si](C)(C)C,"InChI=1/C10H28O6SSi3.C3H9N/c1-18(2,3)15-20(7,16-19(4,5)6)10-8-9-14-17(11,12)13;1-3(2)4/h8-10H2,1-7H3,(H,11,12,13);3H,4H2,1-2H3",C10H28O6SSi3.C3H9N,,,,,,NBEQRLZMYFPVIY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.424,226-866-1,5521-31-3,"2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-dimethylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",CN1C(=O)c2ccc3c4ccc5C(=O)N(C)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56,CN1C(=O)c2ccc3c4ccc5C(=O)N(C)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56,"InChI=1/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3",C26H14N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13597,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.424,PJQYNUFEEZFYIS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.428,226-870-3,5522-66-7,"Dimethyl 3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionate","dimethyl 3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphine-2,18-diyl)dipropanoate",COC(=O)CCC1=C(C)C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C=C)C)C(=C4C=C)C)C(=C3CCC(=O)OC)C,COC(=O)CCC1=C(C)C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C=C)C)C(=C4C=C)C)C(=C3CCC(=O)OC)C,"InChI=1/C36H36N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18H,1-2,11-14H2,3-8H3",C36H38N4O4,,,,,,LNHWDZJKFKJWRD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.432,226-875-0,5528-43-8,"(Z)-1,2,3,3,3-pentafluoropropene","1,2,3,3,3-pentafluoroprop-1-ene",F\\C=C(/F)\\C(F)(F)F,F\C=C(/F)\C(F)(F)F,"InChI=1/C3HF5/c4-1-2(5)3(6,7)8/h1H",C3HF5,,,,,,DMUPYMORYHFFCT-UPHRSURJSA-N,,,,,,,,,,,
100.028.029,230-832-1,7332-46-9,Tris[2-(2-butoxyethoxy)ethyl] phosphate,tris[2-(2-butoxyethoxy)ethyl] phosphate,CCCCOCCOCCOP(=O)(OCCOCCOCCCC)OCCOCCOCCCC,CCCCOCCOCCOP(=O)(OCCOCCOCCCC)OCCOCCOCCCC,"InChI=1/C24H51O10P/c1-4-7-10-26-13-16-29-19-22-32-35(25,33-23-20-30-17-14-27-11-8-5-2)34-24-21-31-18-15-28-12-9-6-3/h4-24H2,1-3H3",C24H51O10P,,,,,,YETJDUSSMZWBME-UHFFFAOYSA-N,,,,,,,,,,,
100.028.033,230-836-3,7333-86-0,Methyl N-octadecylterephthalamate,methyl 4-(octadecylcarbamoyl)benzoate,CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)OC,CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)OC,"InChI=1/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(29)24-19-21-25(22-20-24)27(30)31-2/h19-22H,3-18,23H2,1-2H3,(H,28,29)",C27H45NO3,,,,,,FGGAQLDNXCMZJL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.043,230-847-3,7336-20-1,"Disodium 4,4'-diaminostilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonate)",[Na+].[Na+].Nc1ccc(\\C=C\\c2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(\C=C\c2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C14H14N2O6S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H14N2O6S2.2Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6285,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.043,YAKFHPREDNNSFX-SEPHDYHBSA-L,,,,,,,,,,,
100.028.050,230-855-7,7341-63-1,1-allyl-3-phenyl-2-thiourea,1-allyl-3-phenylthiourea,C=CCNC(=S)Nc1ccccc1,C=CCNC(=S)Nc1ccccc1,"InChI=1/C10H12N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,11,12,13)",C10H12N2S,,,,,,RJTICPGQFMYYEG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.051,230-856-2,7341-89-1,4'-chloro-2-mercapto-5-benzothiazolesulphonanilide,"N-(4-chlorophenyl)-2-sulfanyl-1,3-benzothiazole-5-sulfonamide",Sc1nc2cc(ccc2s1)S(=O)(=O)Nc3ccc(Cl)cc3,Sc1nc2cc(ccc2s1)S(=O)(=O)Nc3ccc(Cl)cc3,"InChI=1/C13H9ClN2O2S3/c14-8-1-3-9(4-2-8)16-21(17,18)10-5-6-12-11(7-10)15-13(19)20-12/h1-7,16H,(H,15,19)",C13H9ClN2O2S3,,,,,,ATOUOYOWYYYGBS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.328,233-375-6,10134-35-7,"Disodium 5-bromo-2-[9-chloro-3-(sulphonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulphate","disodium 5-bromo-2-[9-chloro-3-(sulfonatooxy)naphtho[1,2-b]thiophen-2-yl]-1H-indol-3-yl sulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c([nH]c2ccc(Br)cc12)c3sc4c(ccc5cccc(Cl)c45)c3OS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)Oc1c([nH]c2ccc(Br)cc12)c3sc4c(ccc5cccc(Cl)c45)c3OS(=O)(=O)[O-],"InChI=1/C20H11BrClNO8S3.2Na/c21-10-5-7-14-12(8-10)17(30-33(24,25)26)16(23-14)20-18(31-34(27,28)29)11-6-4-9-2-1-3-13(22)15(9)19(11)32-20;;/h1-8,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H11BrClNO8S3.2Na,,,,,,IAPJNDGUDUDKRI-UHFFFAOYSA-L,,,,,,,,,,,
100.030.334,233-381-9,10138-02-0,N-(2-aminoethyl)dodecanamide,N-(2-aminoethyl)dodecanamide,CCCCCCCCCCCC(=O)NCCN,CCCCCCCCCCCC(=O)NCCN,"InChI=1/C14H30N2O/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15/h2-13,15H2,1H3,(H,16,17)",C14H30N2O,,,,,,DESVYRJXTAYBFA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.064,228-670-1,6320-16-7,2-chloro-N-(2-hydroxyethyl)acetamide,2-chloro-N-(2-hydroxyethyl)acetamide,OCCNC(=O)CCl,OCCNC(=O)CCl,"InChI=1/C4H8ClNO2/c5-3-4(8)6-1-2-7/h7H,1-3H2,(H,6,8)",C4H8ClNO2,,,,,,YMURLKIIDQPXRE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.065,228-671-7,6320-18-9,"Octane-3,5-dione","octane-3,5-dione",CCCC(=O)CC(=O)CC,CCCC(=O)CC(=O)CC,"InChI=1/C8H14O2/c1-3-5-8(10)6-7(9)4-2/h3-6H2,1-2H3",C8H14O2,,,,,,PJEPOHXMGDEIMR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.069,228-675-9,6321-45-5,Allyl valerate,allyl valerate,CCCCC(=O)OCC=C,CCCCC(=O)OCC=C,"InChI=1/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3",C8H14O2,,,,,,PWYXVVREDGESBB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.071,228-678-5,2/07/6322,"D-gulono-1,4-lactone","5-(1,2-dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one (non-preferred name)",OCC(O)C1OC(=O)C(O)C1O,OCC(O)C1OC(=O)C(O)C1O,"InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2",C6H10O6,,,,,,SXZYCXMUPBBULW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.076,228-683-2,3/10/6324,"4,5-dibromothenoic acid","4,5-dibromothiophene-2-carboxylic acid",OC(=O)c1cc(Br)c(Br)s1,OC(=O)c1cc(Br)c(Br)s1,"InChI=1/C5H2Br2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)",C5H2Br2O2S,,,,,,USFXRYVNRUMABJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.090,228-698-4,6328-48-9,3-(benzyloxy)propiononitrile,3-(benzyloxy)propanenitrile,N#CCCOCc1ccccc1,N#CCCOCc1ccccc1,"InChI=1/C10H11NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2",C10H11NO,,,,,,IOFHIWGGQITXMV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.091,228-700-3,7/01/6329,"2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)phenol","2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)phenol",COc1cc(ccc1O)C2OCCC(C)O2,COc1cc(ccc1O)C2OCCC(C)O2,"InChI=1/C12H16O4/c1-8-5-6-15-12(16-8)9-3-4-10(13)11(7-9)14-2/h3-4,7-8,12-13H,5-6H2,1-2H3",C12H16O4,,,,,,ZVJUAEJHNVXHHC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.092,228-701-9,6329-26-6,Ethyl 2-chloroethylcarbamate,ethyl (2-chloroethyl)carbamate,CCOC(=O)NCCCl,CCOC(=O)NCCCl,"InChI=1/C5H10ClNO2/c1-2-9-5(8)7-4-3-6/h2-4H2,1H3,(H,7,8)",C5H10ClNO2,,,,,,QHSHDVYEJKLXLB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.094,228-704-5,6329-74-4,5-bromosalicylamide,5-bromo-2-hydroxybenzamide,NC(=O)c1cc(Br)ccc1O,NC(=O)c1cc(Br)ccc1O,"InChI=1/C7H6BrNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)",C7H6BrNO2,,,,,,MRMOPHYFXXZTFN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.099,228-709-2,6332-56-5,3-nitropyridin-2-ol,3-nitropyridin-2-ol,Oc1ncccc1[N+](=O)[O-],Oc1ncccc1[N+](=O)[O-],"InChI=1/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)",C5H4N2O3,,,,,,BOAFCICMVMFLIT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.101,228-711-3,6334-18-5,"2,3-dichlorobenzaldehyde","2,3-dichlorobenzaldehyde",Clc1cccc(C=O)c1Cl,Clc1cccc(C=O)c1Cl,InChI=1/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,C7H4Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18040,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.101,LLMLNAVBOAMOEE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.103,228-713-4,6334-96-9,Bis(4-chlorobutyl) ether,1-chloro-4-(4-chlorobutoxy)butane,ClCCCCOCCCCCl,ClCCCCOCCCCCl,InChI=1/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2,C8H16Cl2O,,,,,,PVBMXMKIKMJQRK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.196,232-115-9,7787-46-4,Beryllium dibromide,beryllium dibromide,[Be+2].[Br-].[Br-],[Be+2].[Br-].[Br-],InChI=1/Be.2BrH/h;2*1H/q+2;;/p-2,BeBr2,,,,,,PBKYCFJFZMEFRS-UHFFFAOYSA-L,,,,,,,,,,,
100.029.201,232-121-1,7787-58-8,Bismuth tribromide,bismuth(3+) tribromide,[Br-].[Br-].[Br-].[BiH3+3],[Br-].[Br-].[Br-].[BiH3+3],InChI=1/Bi.3BrH.3H/h;3*1H;;;/q+3;;;;;;/p-3/rBiH3.3BrH/h1H3;3*1H/q+3;;;/p-3,BiBr3,,,,,,HNDDUKROAINZSD-UHFFFAOYSA-K,,,,,,,,,,,
100.029.205,232-125-3,7787-62-4,Bismuth pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[BiH3+3],[F-].[F-].[F-].[F-].[F-].[BiH3+3],InChI=1/Bi.5FH.3H/h;5*1H;;;/q+3;;;;;;;;/p-5/rBiH3.5FH/h1H3;5*1H/q+3;;;;;/p-5,BiF5,,,,,,MELFHUKMGVSOTN-UHFFFAOYSA-I,,,,,,,,,,,
100.029.216,232-137-9,7788-97-8,Chromium trifluoride,-,[F-].[F-].[F-].[Cr+2],[F-].[F-].[F-].[Cr+2],InChI=1/Cr.3FH/h;3*1H/q+2;;;/p-3,CrF3,,,,,,FEQFRFOUOCAJNF-UHFFFAOYSA-K,,,,,,,,,,,
100.029.225,232-147-3,7789-19-7,Copper difluoride,copper(2+) difluoride,[Cu+2].[F-].[F-],[Cu+2].[F-].[F-],InChI=1/Cu.2FH/h;2*1H/q+2;;/p-2,CuF2,,,,,,GWFAVIIMQDUCRA-UHFFFAOYSA-L,,,,,,,,,,,
100.013.619,214-980-4,1237-75-8,6-bromo-2-hydroxy-N-o-hydroxyphenylnaphthalene-3-carboxamide,7-bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,COc1ccccc1NC(=O)c2cc3cc(Br)ccc3cc2O,COc1ccccc1NC(=O)c2cc3cc(Br)ccc3cc2O,"InChI=1/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)",C18H14BrNO3,,,,,,JIEINYQEXWLMCU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.623,214-985-1,1240-04-6,"Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt",-,[K+].C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O,[K+].C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O,"InChI=1/C18H22O5S.K/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1",C18H22O5S.K,,,,,,CUQHOFAEIPGLBH-ZFINNJDLSA-N,,,,,,,,,,,
100.013.626,214-988-8,1243-66-9,N-tetradecyl-p-toluenesulphonamide,4-methyl-N-tetradecylbenzenesulfonamide,CCCCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1,CCCCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1,"InChI=1/C21H37NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-22-25(23,24)21-17-15-20(2)16-18-21/h15-18,22H,3-14,19H2,1-2H3",C21H37NO2S,,,,,,IRHWJIHROCGHDY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.745,226-118-4,5285-18-7,"5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid","5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid",OC(=O)C=CC=Cc1ccc2OCOc2c1,OC(=O)C=CC=Cc1ccc2OCOc2c1,"InChI=1/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)",C12H10O4,,,,,,RHBGITBPARBDPH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.746,226-120-5,5285-31-4,Piperidinium benzoate,piperidinium benzoate,[O-]C(=O)c1ccccc1.C2CC[NH2+]CC2,[O-]C(=O)c1ccccc1.C2CC[NH2+]CC2,"InChI=1/C7H6O2.C5H11N/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H,(H,8,9);6H,1-5H2",C7H6O2.C5H11N,,,,,,QJIJQNUQORKBKY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.747,226-121-0,5285-41-6,"5,6-dichlorobenzoxazol-2(3H)-one","5,6-dichloro-1,3-benzoxazol-2(3H)-one",Clc1cc2NC(=O)Oc2cc1Cl,Clc1cc2NC(=O)Oc2cc1Cl,"InChI=1/C7H3Cl2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)",C7H3Cl2NO2,,,,,,WLWRBOFZMOBYJR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.375,227-912-3,6035-19-4,2-chloro-4-nitrobenzenediazonium naphthalene-2-sulphonate,2-chloro-4-nitrobenzenediazonium naphthalene-2-sulfonate,[O-][N+](=O)c1ccc([N+]#N)c(Cl)c1.[O-]S(=O)(=O)c2ccc3ccccc3c2,[O-][N+](=O)c1ccc([N+]#N)c(Cl)c1.[O-]S(=O)(=O)c2ccc3ccccc3c2,"InChI=1/C10H8O3S.C6H3ClN3O2/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;7-5-3-4(10(11)12)1-2-6(5)9-8/h1-7H,(H,11,12,13);1-3H/q;+1/p-1",C10H7O3S.C6H3ClN3O2,,,,,,LKBPUFYOZCBOIB-UHFFFAOYSA-M,,,,,,,,,,,
100.025.376,227-913-9,6035-52-5,"Fructose 1,6-bis(barium phosphate)","mu-[1-O-(phosphono-1kappa~2~O,O')-6-O-(phosphono-2kappa~2~O,O')hex-2-ulosato(4-)]dibarium",OC(COP1(=O)O[Ba]O1)C(O)C(O)C(=O)COP2(=O)O[Ba]O2,OC(COP1(=O)O[Ba]O1)C(O)C(O)C(=O)COP2(=O)O[Ba]O2,"InChI=1/C6H14O12P2.2Ba/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;/q;2*+2/p-4/rC6H10Ba2O12P2/c9-3(1-15-21(13)17-7-18-21)5(11)6(12)4(10)2-16-22(14)19-8-20-22/h3,5-6,9,11-12H,1-2H2",C6H14O12P2.2Ba,,,,,,XTWXMNPKAVQMQE-UHFFFAOYSA-J,,,,,,,,,,,
100.025.386,227-924-9,6038-78-4,Ethomoxane hydrochloride,"N-[(8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]butan-1-amine hydrochloride",Cl.CCCCNCC1COc2cccc(OCC)c2O1,Cl.CCCCNCC1COc2cccc(OCC)c2O1,"InChI=1/C15H23NO3.ClH/c1-3-5-9-16-10-12-11-18-14-8-6-7-13(17-4-2)15(14)19-12;/h6-8,12,16H,3-5,9-11H2,1-2H3;1H",C15H23NO3.ClH,,,,,,JAIBEXLQBQFZOW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.389,227-928-0,6041-28-7,3-(2-thienyl)acrylonitrile,3-(2-thienyl)acrylonitrile,N#C\\C=C\\c1cccs1,N#C\C=C\c1cccs1,"InChI=1/C7H5NS/c8-5-1-3-7-4-2-6-9-7/h1-4,6H",C7H5NS,,,,,,CONLQGNBFRQUBX-HNQUOIGGSA-N,,,,,,,,,,,
100.025.396,227-935-9,6044-61-7,"3,7-dioctyl-10H-phenothiazine","3,7-dioctyl-10H-phenothiazine",CCCCCCCCc1ccc2Nc3ccc(CCCCCCCC)cc3Sc2c1,CCCCCCCCc1ccc2Nc3ccc(CCCCCCCC)cc3Sc2c1,"InChI=1/C28H41NS/c1-3-5-7-9-11-13-15-23-17-19-25-27(21-23)30-28-22-24(18-20-26(28)29-25)16-14-12-10-8-6-4-2/h17-22,29H,3-16H2,1-2H3",C28H41NS,,,,,,STGFANHLXUILNY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.400,227-940-6,4/01/6047,Cytisine hydrochloride,"1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one hydrochloride",Cl.O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12,Cl.O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12,"InChI=1/C11H14N2O.ClH/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11;/h1-3,8-9,12H,4-7H2;1H",C11H14N2O.ClH,,,,,,NNYPHEBIGWBCNH-OULXEKPRSA-N,,,,,,,,,,,
100.025.402,227-942-7,6047-29-6,"5,6,11,12-tetrahydrodibenz(b,f)azocin-6-one","11,12-dihydrodibenzo[b,f]azocin-6(5H)-one",O=C1Nc2ccccc2CCc3ccccc13,O=C1Nc2ccccc2CCc3ccccc13,"InChI=1/C15H13NO/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-15/h1-8H,9-10H2,(H,16,17)",C15H13NO,,,,,,JZDBKFVASLJURR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.404,227-944-8,6047-91-2,2-furoyl cyanide,2-furyl(oxo)acetonitrile,O=C(C#N)c1occc1,O=C(C#N)c1occc1,InChI=1/C6H3NO2/c7-4-5(8)6-2-1-3-9-6/h1-3H,C6H3NO2,,,,,,BITJKGFKDMCINV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.406,227-946-9,6048-82-4,1-phenyldecan-1-one,1-phenyldecan-1-one,CCCCCCCCCC(=O)c1ccccc1,CCCCCCCCCC(=O)c1ccccc1,"InChI=1/C16H24O/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3",C16H24O,,,,,,QQXJNLYVPPBERR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.255,233-295-1,10108-61-9,N-sec-butylphthalimide,"2-sec-butyl-1H-isoindole-1,3(2H)-dione",CCC(C)N1C(=O)c2ccccc2C1=O,CCC(C)N1C(=O)c2ccccc2C1=O,"InChI=1/C12H13NO2/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(13)15/h4-8H,3H2,1-2H3",C12H13NO2,,,,,,ZTXOTHWCDVUQRM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.264,233-304-9,10110-24-4,"3-[2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]ethoxy]propionitrile","3-{2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethoxy}propanenitrile",Nc1c(OCCOCCC#N)cc(O)c2C(=O)c3ccccc3C(=O)c12,Nc1c(OCCOCCC#N)cc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H16N2O5/c20-6-3-7-25-8-9-26-14-10-13(22)15-16(17(14)21)19(24)12-5-2-1-4-11(12)18(15)23/h1-2,4-5,10,22H,3,7-9,21H2",C19H16N2O5,,,,,,RTKVEWJRBWDVRC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.275,233-316-4,10114-86-0,"Disodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis[benzenesulphonate]",disodium 3-({3-methoxy-4-[({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)benzenesulfonate,[Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(N=Nc1cccc(c1)S([O-])(=O)=O)cc2OC)N=Nc4cccc(c4)S([O-])(=O)=O,[Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(N=Nc1cccc(c1)S([O-])(=O)=O)cc2OC)N=Nc4cccc(c4)S([O-])(=O)=O,"InChI=1/C27H24N6O9S2.2Na/c1-41-25-15-19(32-30-17-5-3-7-21(13-17)43(35,36)37)9-11-23(25)28-27(34)29-24-12-10-20(16-26(24)42-2)33-31-18-6-4-8-22(14-18)44(38,39)40;;/h3-16H,1-2H3,(H2,28,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C27H24N6O9S2.2Na,,,,,,MFZGSFUTGDGCSC-UHFFFAOYSA-L,,,,,,,,,,,
100.030.284,233-326-9,10121-91-2,N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulphonamide,N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCN,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCN,"InChI=1/C17H25N3O2S/c1-20(2)16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)19-13-5-3-4-12-18/h6-11,19H,3-5,12-13,18H2,1-2H3",C17H25N3O2S,,,,,,MLEBFEHOJICQQS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.285,233-327-4,10123-62-3,Diethyl (2-cyanoethyl)phosphonate,diethyl (2-cyanoethyl)phosphonate,CCOP(=O)(CCC#N)OCC,CCOP(=O)(CCC#N)OCC,"InChI=1/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-5,7H2,1-2H3",C7H14NO3P,,,,,,LDOZIDLMPNCNDI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.008,228-608-3,6304-27-4,"N,N-dimethylpyridine-2-ethylamine","N,N-dimethyl-2-pyridin-2-ylethanamine",CN(C)CCc1ccccn1,CN(C)CCc1ccccn1,"InChI=1/C9H14N2/c1-11(2)8-6-9-5-3-4-7-10-9/h3-5,7H,6,8H2,1-2H3",C9H14N2,,,,,,FXHJGPDCPMCUKW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.020,228-621-4,6306-60-1,"(2,4-dichlorophenyl)acetonitrile","(2,4-dichlorophenyl)acetonitrile",Clc1ccc(CC#N)c(Cl)c1,Clc1ccc(CC#N)c(Cl)c1,"InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2",C8H5Cl2N,,,,,,VJARIBGMDPJLCL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.026,228-628-2,6309-61-1,"1,4-dihydro-6-methylquinoxaline-2,3-dione","6-methyl-1,4-dihydroquinoxaline-2,3-dione",Cc1ccc2NC(=O)C(=O)Nc2c1,Cc1ccc2NC(=O)C(=O)Nc2c1,"InChI=1/C9H8N2O2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)",C9H8N2O2,,,,,,HOHZZPCLZWZMOM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.027,228-629-8,6309-62-2,Ethyl 2-(2-ethoxy-2-oxoethoxy)propionate,ethyl 2-(2-ethoxy-2-oxoethoxy)propanoate,CCOC(=O)COC(C)C(=O)OCC,CCOC(=O)COC(C)C(=O)OCC,"InChI=1/C9H16O5/c1-4-12-8(10)6-14-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3",C9H16O5,,,,,,SFEWOHUGHVHUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.033,228-636-6,6311-64-4,Dipotassium epoxysuccinate,"oxirane-2,3-dicarboxylic acid",OC(=O)C1OC1C(=O)O,OC(=O)C1OC1C(=O)O,"InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)",C4H4O5.2K,,,,,,DCEMCPAKSGRHCN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.035,228-638-7,6312-73-8,"6-amino-5-bromopyrimidine-2,4(1H,3H)-dione","6-amino-5-bromopyrimidine-2,4(1H,3H)-dione",NC1=C(Br)C(=O)NC(=O)N1,NC1=C(Br)C(=O)NC(=O)N1,"InChI=1/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)",C4H4BrN3O2,,,,,,FSLBEEVCUZFKRL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.037,228-640-8,6313-37-7,"2,5-dimethoxy-4-nitroaniline","2,5-dimethoxy-4-nitroaniline",COc1cc(c(OC)cc1N)[N+](=O)[O-],COc1cc(c(OC)cc1N)[N+](=O)[O-],"InChI=1/C8H10N2O4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,9H2,1-2H3",C8H10N2O4,,,,,,ZTQGTYFYOODGOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.039,228-642-9,6314-97-2,"(2,2-diethoxyethyl)benzene","(2,2-diethoxyethyl)benzene",CCOC(Cc1ccccc1)OCC,CCOC(Cc1ccccc1)OCC,"InChI=1/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3",C12H18O2,,,,,,FYERTDTXGGOMGT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.060,230-866-7,7346-09-0,"(2a,6a,11R*)-(±)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","3-(cyclopropylmethyl)-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4,CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4,"InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3",C18H25NO,,,,,,YQYVFVRQLZMJKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.061,230-867-2,7346-13-6,Disodium mesoxalate,disodium oxomalonate,[Na]OC(=O)C(=O)C(=O)O[Na],[Na]OC(=O)C(=O)C(=O)O[Na],"InChI=1/C3H2O5.2Na/c4-1(2(5)6)3(7)8;;/h(H,5,6)(H,7,8);;/q;2*+1/p-2",C3H2O5.2Na,,,,,,OJGLOFBKLCHJFP-UHFFFAOYSA-L,,,,,,,,,,,
100.028.064,230-870-9,7346-78-3,2-[2-[2-[(1-oxooctyl)oxy]ethoxy]ethoxy]ethyl decanoate,2-{2-[2-(octanoyloxy)ethoxy]ethoxy}ethyl decanoate,CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC,CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC,"InChI=1/C24H46O6/c1-3-5-7-9-10-12-14-16-24(26)30-22-20-28-18-17-27-19-21-29-23(25)15-13-11-8-6-4-2/h3-22H2,1-2H3",C24H46O6,,,,,,RCGZRZBMXNWTFH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.069,230-876-1,7347-28-6,"N,N-diisopropyl-p-toluidine","N,N-diisopropyl-4-methylaniline",CC(C)N(C(C)C)c1ccc(C)cc1,CC(C)N(C(C)C)c1ccc(C)cc1,"InChI=1/C13H21N/c1-10(2)14(11(3)4)13-8-6-12(5)7-9-13/h6-11H,1-5H3",C13H21N,,,,,,YHAUWIDCXVQMPN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.073,230-880-3,7355-18-2,Methyl O-tetraacetyl-ß-D-glucopyranuronate,"methyl 1,2,3,4-tetra-O-acetylhexopyranuronate",COC(=O)C1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,COC(=O)C1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,"InChI=1/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3",C15H20O11,,,,,,DPOQCELSZBSZGX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.074,230-881-9,7355-22-8,"5-bromo-2,4-dihydroxybenzoic acid","5-bromo-2,4-dihydroxybenzoic acid",OC(=O)c1cc(Br)c(O)cc1O,OC(=O)c1cc(Br)c(O)cc1O,"InChI=1/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)",C7H5BrO4,,,,,,ZRBCISXJLHZOMS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.031,226-434-2,5399-58-6,Sodium propane-2-sulphonate,sodium propane-2-sulfonate,[Na+].CC(C)S(=O)(=O)[O-],[Na+].CC(C)S(=O)(=O)[O-],"InChI=1/C3H8O3S.Na/c1-3(2)7(4,5)6;/h3H,1-2H3,(H,4,5,6);/q;+1/p-1",C3H8O3S.Na,,,,,,JUAHWAGHDQJOLT-UHFFFAOYSA-M,,,,,,,,,,,
100.024.034,226-437-9,5399-85-9,Sodium p-[(4-amino-1-naphthyl)azo]benzenesulphonate,sodium 4-[(4-amino-1-naphthyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c3ccc(N=Nc1ccc(N)c2ccccc12)cc3,[Na+].[O-]S(=O)(=O)c3ccc(N=Nc1ccc(N)c2ccccc12)cc3,"InChI=1/C16H13N3O3S.Na/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)23(20,21)22;/h1-10H,17H2,(H,20,21,22);/q;+1/p-1",C16H13N3O3S.Na,,,,,,IQRKMEGAUSQFFK-UHFFFAOYSA-M,,,,,,,,,,,
100.024.038,226-442-6,5400-80-6,2-bromoindan-1-ol,2-bromoindan-1-ol,OC1C(Br)Cc2ccccc12,OC1C(Br)Cc2ccccc12,"InChI=1/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2",C9H9BrO,,,,,,RTESDSDXFLYAKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.041,226-445-2,5400-93-1,"1-benzyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride","1-benzyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane",C(c1ccccc1)[N+]23CN4CN(CN(C4)C2)C3,C(c1ccccc1)[N+]23CN4CN(CN(C4)C2)C3,"InChI=1/C13H19N4/c1-2-4-13(5-3-1)6-17-10-14-7-15(11-17)9-16(8-14)12-17/h1-5H,6-12H2/q+1",C13H19N4.Cl,,,,,,ZEBQXLTZNFGHKI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.045,226-449-4,5401-62-7,"1,2-dibromocyclohexane","1,2-dibromocyclohexane",BrC1CCCCC1Br,BrC1CCCCC1Br,"InChI=1/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2",C6H10Br2,,,,,,CZNHKZKWKJNOTE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.048,226-453-6,5402-73-3,"2,5-dichlorobenzenesulphonyl chloride","2,5-dichlorobenzenesulfonyl chloride",Clc1ccc(Cl)c(c1)S(=O)(=O)Cl,Clc1ccc(Cl)c(c1)S(=O)(=O)Cl,"InChI=1/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H",C6H3Cl3O2S,,,,,,BXCOSWRSIISQSL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.049,226-454-1,5405-13-0,N-benzyl-o-toluidine,N-benzyl-2-methylaniline,Cc1ccccc1NCc2ccccc2,Cc1ccccc1NCc2ccccc2,"InChI=1/C14H15N/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3",C14H15N,,,,,,QFRIIGBAHKSVIU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.052,226-457-8,5405-53-8,"2,7-dinitrofluorene","2,7-dinitro-9H-fluorene",[O-][N+](=O)c1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,[O-][N+](=O)c1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,"InChI=1/C13H8N2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7H,5H2",C13H8N2O4,,,,,,IHZCVUBSTYOFSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.054,226-459-9,5405-88-9,"2,5,8,10,13,16-hexaoxaheptadecane","2,5,8,10,13,16-hexaoxaheptadecane",COCCOCCOCOCCOCCOC,COCCOCCOCOCCOCCOC,"InChI=1/C11H24O6/c1-12-3-5-14-7-9-16-11-17-10-8-15-6-4-13-2/h3-11H2,1-2H3",C11H24O6,,,,,,SMBXIGKPAGOPPF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.063,226-469-3,5407-68-1,5-nitrofurfuryl acetate,(5-nitro-2-furyl)methyl acetate,CC(=O)OCc1oc(cc1)[N+](=O)[O-],CC(=O)OCc1oc(cc1)[N+](=O)[O-],"InChI=1/C7H7NO5/c1-5(9)12-4-6-2-3-7(13-6)8(10)11/h2-3H,4H2,1H3",C7H7NO5,,,,,,PCMLAOQXILPCIL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.064,226-470-9,5407-87-4,"4,6-dimethyl-2-pyridylamine","4,6-dimethylpyridin-2-amine",Cc1cc(C)nc(N)c1,Cc1cc(C)nc(N)c1,"InChI=1/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)",C7H10N2,,,,,,BRBUBVKGJRPRRD-UHFFFAOYSA-N,,,,,,,,,,,
100.029.228,232-151-5,7789-23-3,Potassium fluoride,potassium fluoride,[F-].[K+],[F-].[K+],InChI=1/FH.K/h1H;/q;+1/p-1,FK,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13156,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.228,NROKBHXJSPEDAR-UHFFFAOYSA-M,,,,,,,,,,,
100.025.677,228-244-5,6192-13-8,Neodymium(3+) acetate,neodymium triacetate,[Nd+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Nd+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Nd/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Nd,,,,,,KETUDCKOKOGBJB-UHFFFAOYSA-K,,,,,,,,,,,
100.025.682,228-249-2,6196-95-8,4-(1-phenylethyl)-o-xylene,"1,2-dimethyl-4-(1-phenylethyl)benzene",CC(c1ccccc1)c2ccc(C)c(C)c2,CC(c1ccccc1)c2ccc(C)c(C)c2,"InChI=1/C16H18/c1-12-9-10-16(11-13(12)2)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3",C16H18,,,,,,FLWSNJAEMMOZJG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.687,228-255-5,6201-64-5,"4-[[4-(phenylamino)phenyl]imino]cyclohexa-2,5-dien-1-one","4-[(4-anilinophenyl)imino]cyclohexa-2,5-dien-1-one",O=C1C=CC(=Nc2ccc(Nc3ccccc3)cc2)C=C1,O=C1C=CC(=Nc2ccc(Nc3ccccc3)cc2)C=C1,"InChI=1/C18H14N2O/c21-18-12-10-17(11-13-18)20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H",C18H14N2O,,,,,,AXFULXCACQCXKF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.689,228-257-6,6201-72-5,"4-[(4-amino-8-hydroxy-1-naphthyl)imino]cyclohexa-2,5-dien-1-one","4-[(4-amino-8-hydroxy-1-naphthyl)imino]cyclohexa-2,5-dien-1-one",Nc1ccc(N=C2C=CC(=O)C=C2)c3c(O)cccc13,Nc1ccc(N=C2C=CC(=O)C=C2)c3c(O)cccc13,"InChI=1/C16H12N2O2/c17-13-8-9-14(16-12(13)2-1-3-15(16)20)18-10-4-6-11(19)7-5-10/h1-9,20H,17H2",C16H12N2O2,,,,,,NWJKOPUJGYNIOY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.692,228-260-2,6201-80-5,3-[(4-aminobenzoyl)amino]-5-sulphosalicylic acid,3-[(4-aminobenzoyl)amino]-2-hydroxy-5-sulfobenzoic acid,Nc1ccc(cc1)C(=O)Nc2cc(cc(C(=O)O)c2O)S(=O)(=O)O,Nc1ccc(cc1)C(=O)Nc2cc(cc(C(=O)O)c2O)S(=O)(=O)O,"InChI=1/C14H12N2O7S/c15-8-3-1-7(2-4-8)13(18)16-11-6-9(24(21,22)23)5-10(12(11)17)14(19)20/h1-6,17H,15H2,(H,16,18)(H,19,20)(H,21,22,23)",C14H12N2O7S,,,,,,DSANWMATXAFGTP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.694,228-262-3,6201-87-2,5-amino-3-sulphosalicylic acid,5-amino-2-hydroxy-3-sulfobenzoic acid,Nc1cc(C(=O)O)c(O)c(c1)S(=O)(=O)O,Nc1cc(C(=O)O)c(O)c(c1)S(=O)(=O)O,"InChI=1/C7H7NO6S/c8-3-1-4(7(10)11)6(9)5(2-3)15(12,13)14/h1-2,9H,8H2,(H,10,11)(H,12,13,14)",C7H7NO6S,,,,,,MLPWLRUWQJVULT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.699,228-268-6,6203-88-9,1-methylprop-1-enyl acetate,1-methylprop-1-en-1-yl acetate,CC(=CC)OC(C)=O,CC(=CC)OC(C)=O,"InChI=1/C6H10O2/c1-4-5(2)8-6(3)7/h4H,1-3H3",C6H10O2,,,,,,OOCFREXEVDCHGU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.701,228-270-7,6204-40-6,"(Z)-4-[(benzyloxy)methyl]-2-(bromomethyl)-1,3-dioxolane","4-[(benzyloxy)methyl]-2-(bromomethyl)-1,3-dioxolane",BrCC1OCC(COCc2ccccc2)O1,BrCC1OCC(COCc2ccccc2)O1,"InChI=1/C12H15BrO3/c13-6-12-15-9-11(16-12)8-14-7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2",C12H15BrO3,,,,,,XRDOVVFGDQXDTR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.703,228-272-8,6204-42-8,"cis-2-(bromomethyl)-1,3-dioxolane-4-methanol","[2-(bromomethyl)-1,3-dioxolan-4-yl]methanol",OC[C@@H]1CO[C@H](CBr)O1,OC[C@@H]1CO[C@H](CBr)O1,"InChI=1/C5H9BrO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2",C5H9BrO3,,,,,,ZSLVLMWYSIERCN-UHNVWZDZSA-N,,,,,,,,,,,
100.025.715,228-285-9,6217-19-2,4-(diethylamino)benzenediazonium trichlorozincate,4-(diethylamino)benzenediazonium trichlorozincate(1-),CCN(CC)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl,CCN(CC)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C10H14N3.3ClH.Zn/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;;;;/h5-8H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC10H14N3.Cl3Zn/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;1-4(2)3/h5-8H,3-4H2,1-2H3;/q+1;-1",C10H14N3.Cl3Zn,,,,,,YLGBZMRWHAZPIE-UHFFFAOYSA-K,,,,,,,,,,,
100.025.716,228-286-4,6217-61-4,(5-methyl)dithiouracil,"5-methylpyrimidine-2,4(1H,3H)-dithione",CC1=CNC(=S)NC1=S,CC1=CNC(=S)NC1=S,"InChI=1/C5H6N2S2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",C5H6N2S2,,,,,,KQRLVMSUOWYRHL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.719,228-290-6,6219-67-6,"4-methoxybenzene-1,3-diamine sulphate","4-methoxybenzene-1,3-diamine sulfate",COc1ccc(N)cc1N.OS(=O)(=O)O,COc1ccc(N)cc1N.OS(=O)(=O)O,"InChI=1/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)",C7H10N2O.xH2O4S,,,,,,FDJQHYWUHGBBTO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.722,228-293-2,6219-77-8,"4-nitrobenzene-1,2-diamine dihydrochloride","4-nitrobenzene-1,2-diamine dihydrochloride",Cl.Cl.Nc1ccc(cc1N)[N+](=O)[O-],Cl.Cl.Nc1ccc(cc1N)[N+](=O)[O-],"InChI=1/C6H7N3O2.2ClH/c7-5-2-1-4(9(10)11)3-6(5)8;;/h1-3H,7-8H2;2*1H",C6H7N3O2.2ClH,,,,,,JMSFOGFLPAGXLG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.723,228-294-8,6219-89-2,4-[(4-amino-m-tolyl)amino]phenol,4-[(4-amino-3-methylphenyl)amino]phenol,Cc1cc(Nc2ccc(O)cc2)ccc1N,Cc1cc(Nc2ccc(O)cc2)ccc1N,"InChI=1/C13H14N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8,15-16H,14H2,1H3",C13H14N2O,,,,,,JGXPJGJSAMZYBO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.337,233-385-0,10138-41-7,Erbium trichloride,erbium trichloride,[Cl-].[Cl-].[Cl-].[Er+3],[Cl-].[Cl-].[Cl-].[Er+3],InChI=1/3ClH.Er/h3*1H;/q;;;+3/p-3,Cl3Er,,,,,,HDGGAKOVUDZYES-UHFFFAOYSA-K,,,,,,,,,,,
100.025.416,227-957-9,6051-53-2,4-(2-hydroxyphenyl)but-3-en-2-one,4-(2-hydroxyphenyl)but-3-en-2-one,Oc1ccccc1C=CC(C)=O,Oc1ccccc1C=CC(C)=O,"InChI=1/C10H10O2/c1-8(11)6-7-9-4-2-3-5-10(9)12/h2-7,12H,1H3",C10H10O2,,,,,,OIKUPYQBJLSNAS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.417,227-958-4,6051-87-2,"3-phenyl-1H-naphtho[2,1-b]pyran-1-one",3-phenyl-1H-benzo[f]chromen-1-one,O=C1C=C(Oc2ccc3ccccc3c12)c4ccccc4,O=C1C=C(Oc2ccc3ccccc3c12)c4ccccc4,InChI=1/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H,C19H12O2,,,,,,OUGIDAPQYNCXRA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.541,215-994-3,1468-39-9,Isovaleric anhydride,3-methylbutanoic anhydride,CC(C)CC(=O)OC(=O)CC(C)C,CC(C)CC(=O)OC(=O)CC(C)C,"InChI=1/C10H18O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h7-8H,5-6H2,1-4H3",C10H18O3,,,,,,FREZLSIGWNCSOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.556,216-011-0,1471-94-9,"N,N'-ethylenebis[3-oxobutyramide]","N,N'-ethane-1,2-diylbis(3-oxobutanamide)",CC(=O)CC(=O)NCCNC(=O)CC(=O)C,CC(=O)CC(=O)NCCNC(=O)CC(=O)C,"InChI=1/C10H16N2O4/c1-7(13)5-9(15)11-3-4-12-10(16)6-8(2)14/h3-6H2,1-2H3,(H,11,15)(H,12,16)",C10H16N2O4,,,,,,KLZDEEDOBAPARF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.559,216-014-7,1474-02-8,N-(1-benzylpiperidin-4-yl)-N-phenylpropionamide,N-(1-benzylpiperidin-4-yl)-N-phenylpropanamide,CCC(=O)N(C1CCN(Cc2ccccc2)CC1)c3ccccc3,CCC(=O)N(C1CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C21H26N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3",C21H26N2O,,,,,,POQDXIFVWVZVML-UHFFFAOYSA-N,,,,,,,,,,,
100.014.562,216-017-3,1475-11-2,"3,4-dichloro-a-methylbenzyl alcohol","1-(3,4-dichlorophenyl)ethanol",CC(O)c1ccc(Cl)c(Cl)c1,CC(O)c1ccc(Cl)c(Cl)c1,"InChI=1/C8H8Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3",C8H8Cl2O,,,,,,VZTGSONNNMGQNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.565,216-021-5,1476-11-5,"cis-1,4-dichlorobut-2-ene","1,4-dichlorobut-2-ene",ClC\\C=C/CCl,ClC\C=C/CCl,"InChI=1/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2",C4H6Cl2,,,,,,FQDIANVAWVHZIR-UPHRSURJSA-N,,,,,,,,,,,
100.014.568,216-024-1,1476-98-8,Hydroquinidine hydrochloride,"6'-methoxy-10,11-dihydrocinchonan-9-ol hydrochloride",Cl.CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34,Cl.CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34,"InChI=1/C20H26N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H",C20H26N2O2.ClH,,,,,,MULXTQKDWYBJMO-VJAUXQICSA-N,,,,,,,,,,,
100.014.570,216-026-2,1477-19-6,Benzarone,(2-ethyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone,CCc1oc2ccccc2c1C(=O)c3ccc(O)cc3,CCc1oc2ccccc2c1C(=O)c3ccc(O)cc3,"InChI=1/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3",C17H14O3,,,,,,RFRXIWQYSOIBDI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.574,216-030-4,1477-50-5,Indole-2-carboxylic acid,1H-indole-2-carboxylic acid,OC(=O)c1cc2ccccc2[nH]1,OC(=O)c1cc2ccccc2[nH]1,"InChI=1/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)",C9H7NO2,,,,,,HCUARRIEZVDMPT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.575,216-032-5,1477-55-0,m-phenylenebis(methylamine),"1,3-phenylenedimethanamine",NCc1cccc(CN)c1,NCc1cccc(CN)c1,"InChI=1/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2",C8H12N2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2031,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.575,FDLQZKYLHJJBHD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.583,216-040-9,1481-68-1,"1-chloro-2,4-difluoro-5-nitrobenzene","1-chloro-2,4-difluoro-5-nitrobenzene",[O-][N+](=O)c1cc(Cl)c(F)cc1F,[O-][N+](=O)c1cc(Cl)c(F)cc1F,InChI=1/C6H2ClF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,C6H2ClF2NO2,,,,,,UIOYEIHBWQTVJC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.584,216-041-4,1481-93-2,Chroman-4-ol,chroman-4-ol,OC1CCOc2ccccc12,OC1CCOc2ccccc12,"InChI=1/C9H10O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2",C9H10O2,,,,,,MGSHXMOLUWTMGP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.587,216-045-6,1483-01-8,L-(+)-homoarginine hydrochloride,N~6~-carbamimidoyllysine,NC(CCCCNC(=N)N)C(=O)O,NC(CCCCNC(=N)N)C(=O)O,"InChI=1/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)",C7H16N4O2.ClH,,,,,,QUOGESRFPZDMMT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.589,216-047-7,1483-54-1,2-amino-4-(trifluoromethyl)benzonitrile,2-amino-4-(trifluoromethyl)benzonitrile,Nc1cc(ccc1C#N)C(F)(F)F,Nc1cc(ccc1C#N)C(F)(F)F,"InChI=1/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)7(13)3-6/h1-3H,13H2",C8H5F3N2,,,,,,IAIRNHIXDCZUCV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.590,216-048-2,1483-67-6,Hept-2-ynoic acid,hept-2-ynoic acid,CCCCC#CC(=O)O,CCCCC#CC(=O)O,"InChI=1/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H2,1H3,(H,8,9)",C7H10O2,,,,,,UEERQXQKEJPYBR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.333,215-766-3,1404-04-2,Neomycin,"4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2",-,,,,,,SYJXFKPQNSDJLI-HKEUSBCWSA-N,,,,,,,,,,,
100.026.041,228-645-5,6315-32-8,1-methyl-4-phenylperhydroazepine-4-carbonitrile,1-methyl-4-phenylazepane-4-carbonitrile,CN1CCCC(CC1)(C#N)c2ccccc2,CN1CCCC(CC1)(C#N)c2ccccc2,"InChI=1/C14H18N2/c1-16-10-5-8-14(12-15,9-11-16)13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3",C14H18N2,,,,,,OSTBUYKRALHHBD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.042,228-646-0,6315-51-1,2-(diphenylamino)ethanol,2-(diphenylamino)ethanol,OCCN(c1ccccc1)c2ccccc2,OCCN(c1ccccc1)c2ccccc2,"InChI=1/C14H15NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2",C14H15NO,,,,,,CMQZETQFZHIYJG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.043,228-647-6,6315-89-5,"3,4-dimethoxyaniline","3,4-dimethoxyaniline",COc1ccc(N)cc1OC,COc1ccc(N)cc1OC,"InChI=1/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3",C8H11NO2,,,,,,LGDHZCLREKIGKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.048,228-652-3,6317-18-6,Methylene dithiocyanate,methylene bis(thiocyanate),N#CSCSC#N,N#CSCSC#N,InChI=1/C3H2N2S2/c4-1-6-3-7-2-5/h3H2,C3H2N2S2,,,,,,JWZXKXIUSSIAMR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.054,228-659-1,6317-85-7,1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenylethan-1-one,1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenylethanone,CN(C)c1ccc(cc1)C(=O)C(O)c2ccccc2,CN(C)c1ccc(cc1)C(=O)C(O)c2ccccc2,"InChI=1/C16H17NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11,15,18H,1-2H3",C16H17NO2,,,,,,SOLBSNQBVLAREX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.055,228-660-7,6318-16-7,"N,N'-pent-2-ene-1,5-diylidenedianiline monohydrochloride","N,N'-pent-2-ene-1,5-diylidenedianiline hydrochloride",Cl.C(C=Nc1ccccc1)C=CC=Nc2ccccc2,Cl.C(C=Nc1ccccc1)C=CC=Nc2ccccc2,"InChI=1/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-8,10-15H,9H2;1H",C17H16N2.ClH,,,,,,JWYFJOIJMPZWDB-UHFFFAOYSA-N,,,,,,,,,,,
100.029.136,232-050-6,7784-16-9,Aluminium sodium tetrachloride,aluminium sodium tetrachloride,[Na+].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-],[Na+].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-],InChI=1/Al.4ClH.Na/h;4*1H;/q+3;;;;;+1/p-4,AlCl4.Na,,,,,,CMLRNXGMTZKKSR-UHFFFAOYSA-J,,,,,,,,,,,
100.029.143,232-057-4,7784-33-0,Arsenic tribromide,arsenic(3+) tribromide,[Br-].[Br-].[Br-].[AsH6+3],[Br-].[Br-].[Br-].[AsH6+3],InChI=1/AsH5.3BrH/h1H5;3*1H/q+3;;;/p-3,AsBr3,,,,,,UGMZILZGJASMSP-UHFFFAOYSA-K,,,,,,,,,,,
100.029.144,232-059-5,7784-34-1,Arsenic trichloride,arsenic(3+) trichloride,[Cl-].[Cl-].[Cl-].[AsH6+3],[Cl-].[Cl-].[Cl-].[AsH6+3],InChI=1/AsH5.3ClH/h1H5;3*1H/q+3;;;/p-3,AsCl3,,,,,,FOHLTSYYZPWPHH-UHFFFAOYSA-K,,,,,,,,,,,
100.029.154,232-070-5,7784-46-5,Sodium dioxoarsenate,sodium dioxoarsenate(1-),[Na+].O=[As-]=O,[Na+].O=[As-]=O,InChI=1/AsHO2.Na/c2-1-3;/h1H;/q-1;+1,AsHO2.Na,,,,,,PVBJVDJVFYMTGS-UHFFFAOYSA-N,,,,,,,,,,,
100.029.155,232-071-0,7784-54-5,"2-acetamido-2-deoxy-a-D-glucose 1,3,4,6-tetraacetate","2-acetamido-1,3,4,6-tetra-O-acetyl-2-deoxyhexopyranose",CC(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C,CC(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C,"InChI=1/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)",C16H23NO10,,,,,,OVPIZHVSWNOZMN-UHFFFAOYSA-N,,,,,,,,,,,
100.029.156,232-072-6,7784-67-0,2-methoxy-4-prop-1-enylphenetole,1-ethoxy-2-methoxy-4-prop-1-en-1-ylbenzene,COc1cc(ccc1OCC)C=CC,COc1cc(ccc1OCC)C=CC,"InChI=1/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3",C12H16O2,,,,,,AOSKXPFBGRLCEG-UHFFFAOYSA-N,,,,,,,,,,,
100.029.162,232-078-9,7785-33-3,"(E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate","3,7-dimethylocta-2,6-dien-1-yl 2-methylbut-2-enoate",C\\C=C(/C)\\C(=O)OC\\C=C(/C)\\CCC=C(C)C,C\C=C(/C)\C(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3",C15H24O2,,,,,,OGHBUHJLMHQMHS-KRDNBFTESA-N,,,,,,,,,,,
100.029.170,232-087-8,7785-70-8,(+)-pin-2(3)-ene,"2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",CC1=CCC2CC1C2(C)C,CC1=CCC2CC1C2(C)C,"InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9984,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.170,GRWFGVWFFZKLTI-UHFFFAOYSA-N,,,,,,,,,,,
100.029.176,232-094-6,7786-30-3,Magnesium chloride,magnesium dichloride,[Mg+2].[Cl-].[Cl-],[Mg+2].[Cl-].[Cl-],InChI=1/2ClH.Mg/h2*1H;/q;;+2/p-2,Cl2Mg,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15140,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.176,TWRXJAOTZQYOKJ-UHFFFAOYSA-L,,,,,,,,,,,
100.029.177,232-095-1,7786-34-7,Mevinphos,methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate,O=P(OC)(OC)OC(C)=CC(=O)OC,O=P(OC)(OC)OC(C)=CC(=O)OC,"InChI=1/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3",C7H13O6P,,,,,,GEPDYQSQVLXLEU-UHFFFAOYSA-N,,,,,,,,,,,
100.029.184,232-102-8,7786-67-6,5-methyl-2-(1-methylvinyl)cyclohexan-1-ol,2-isopropenyl-5-methylcyclohexanol,CC1CCC(C(O)C1)C(=C)C,CC1CCC(C(O)C1)C(=C)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3",C10H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16473,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.184,ZYTMANIQRDEHIO-UHFFFAOYSA-N,,,,,,,,,,,
100.029.185,232-103-3,7786-80-3,"1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide","2-octyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",CCCCCCCCN1C(=O)C2C3CC(C=C3)C2C1=O,CCCCCCCCN1C(=O)C2C3CC(C=C3)C2C1=O,"InChI=1/C17H25NO2/c1-2-3-4-5-6-7-10-18-16(19)14-12-8-9-13(11-12)15(14)17(18)20/h8-9,12-15H,2-7,10-11H2,1H3",C17H25NO2,,,,,,YLHCJWZWKGVBOS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.071,226-478-2,5409-31-4,"3,4-diethoxybenzoic acid","3,4-diethoxybenzoic acid",CCOc1ccc(cc1OCC)C(=O)O,CCOc1ccc(cc1OCC)C(=O)O,"InChI=1/C11H14O4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)",C11H14O4,,,,,,VVKCVAPLTRZJHH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.072,226-479-8,5409-42-7,"Decahydropyrazino[2,3-b]pyrazine","decahydropyrazino[2,3-b]pyrazine",C1CNC2NCCNC2N1,C1CNC2NCCNC2N1,"InChI=1/C6H14N4/c1-2-8-6-5(7-1)9-3-4-10-6/h5-10H,1-4H2",C6H14N4,,,,,,HQJLFRMMLKYIJX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.073,226-480-3,5409-54-1,"N-(4-hydroxy[1,1'-biphenyl]-3-yl)acetamide",N-(4-hydroxybiphenyl-3-yl)acetamide,CC(=O)Nc1cc(ccc1O)c2ccccc2,CC(=O)Nc1cc(ccc1O)c2ccccc2,"InChI=1/C14H13NO2/c1-10(16)15-13-9-12(7-8-14(13)17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16)",C14H13NO2,,,,,,ODBZGVNPNRYIIU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.081,226-489-2,5411-22-3,Benzphetamine hydrochloride,N-benzyl-N-methyl-1-phenylpropan-2-amine hydrochloride,Cl.C[C@@H](Cc1ccccc1)N(C)Cc2ccccc2,Cl.C[C@@H](Cc1ccccc1)N(C)Cc2ccccc2,"InChI=1/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H",C17H21N.ClH,,,,,,ANFSNXAXVLRZCG-RSAXXLAASA-N,,,,,,,,,,,
100.027.642,230-406-5,7098-14-8,"Tetrahydro-1,3,5-triazin-2(1H)-one","1,3,5-triazinan-2-one",O=C1NCNCN1,O=C1NCNCN1,"InChI=1/C3H7N3O/c7-3-5-1-4-2-6-3/h4H,1-2H2,(H2,5,6,7)",C3H7N3O,,,,,,GZMPNWZNKXKPGC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.655,230-420-1,7116-95-2,4-isopropylbiphenyl,4-isopropylbiphenyl,CC(C)c1ccc(cc1)c2ccccc2,CC(C)c1ccc(cc1)c2ccccc2,"InChI=1/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3",C15H16,,,,,,KWSHGRJUSUJPQD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.657,230-422-2,7119-55-3,"Butane-1,4-diyl dicarbamate","butane-1,4-diyl dicarbamate",NC(=O)OCCCCOC(=O)N,NC(=O)OCCCCOC(=O)N,"InChI=1/C6H12N2O4/c7-5(9)11-3-1-2-4-12-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)",C6H12N2O4,,,,,,ONWSHWFYPNZPAA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.658,230-423-8,7120-86-7,"5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one","5-tert-butyl-1,3,4-oxadiazol-2(3H)-one",CC(C)(C)C1=NNC(=O)O1,CC(C)(C)C1=NNC(=O)O1,"InChI=1/C6H10N2O2/c1-6(2,3)4-7-8-5(9)10-4/h1-3H3,(H,8,9)",C6H10N2O2,,,,,,RDYYZFFSCOVWIM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.662,230-428-5,7128-79-2,2-[N-o-methoxyphenyl)carbamoyl]-3-naphthyl acetate,3-[(2-methoxyphenyl)carbamoyl]-2-naphthyl acetate,COc1ccccc1NC(=O)c2cc3ccccc3cc2OC(=O)C,COc1ccccc1NC(=O)c2cc3ccccc3cc2OC(=O)C,"InChI=1/C20H17NO4/c1-13(22)25-19-12-15-8-4-3-7-14(15)11-16(19)20(23)21-17-9-5-6-10-18(17)24-2/h3-12H,1-2H3,(H,21,23)",C20H17NO4,,,,,,RKCVQLUEWCVWTN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.666,230-432-7,7133-46-2,Dicyclohexyl sulphide,"1,1'-sulfanediyldicyclohexane",C1CCC(CC1)SC2CCCCC2,C1CCC(CC1)SC2CCCCC2,"InChI=1/C12H22S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2",C12H22S,,,,,,FTAORUVBXKFVDA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.668,230-434-8,4/11/7134,4-hydroxy-3-methoxybenzenesulphonic acid,4-hydroxy-3-methoxybenzenesulfonic acid,COc1cc(ccc1O)S(=O)(=O)O,COc1cc(ccc1O)S(=O)(=O)O,"InChI=1/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11)",C7H8O5S,,,,,,QDRCGSIKAHSALR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.669,230-435-3,7137-55-5,1-butyl-2-nitrobenzene,1-butyl-2-nitrobenzene,CCCCc1ccccc1[N+](=O)[O-],CCCCc1ccccc1[N+](=O)[O-],"InChI=1/C10H13NO2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-5,7-8H,2-3,6H2,1H3",C10H13NO2,,,,,,RSVIEXUVWMYRGB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.679,230-446-3,7144-05-0,4-piperidylmethylamine,1-piperidin-4-ylmethanamine,NCC1CCNCC1,NCC1CCNCC1,"InChI=1/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2",C6H14N2,,,,,,LTEKQAPRXFBRNN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.680,230-447-9,3/08/7144,Cholest-5-ene-3-ß-yl chloroformate,cholest-5-en-3-yl chlorocarbonate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)Cl,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)Cl,"InChI=1/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3",C28H45ClO2,,,,,,QNEPTKZEXBPDLF-JDTILAPWSA-N,,,,,,,,,,,
100.027.689,230-457-3,7147-34-4,"Tris(2-ethylhexyl) 2-hydroxypropane-1,2,3-tricarboxylate",tris(2-ethylhexyl) citrate,CCCCC(CC)COC(=O)CC(O)(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CC(O)(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,"InChI=1/C30H56O7/c1-7-13-16-24(10-4)21-35-27(31)19-30(34,29(33)37-23-26(12-6)18-15-9-3)20-28(32)36-22-25(11-5)17-14-8-2/h24-26,34H,7-23H2,1-6H3",C30H56O7,,,,,,DUHIKWRPAQIIBL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.447,226-891-8,5535-49-9,[(2-chloroethyl)thio]benzene,[(2-chloroethyl)sulfanyl]benzene,ClCCSc1ccccc1,ClCCSc1ccccc1,"InChI=1/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9ClS,,,,,,QDXIHHOPZFCEAP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.454,226-899-1,5538-51-2,2-acetoxybenzoyl chloride,2-(chlorocarbonyl)phenyl acetate,CC(=O)Oc1ccccc1C(=O)Cl,CC(=O)Oc1ccccc1C(=O)Cl,"InChI=1/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3",C9H7ClO3,,,,,,DSGKWFGEUBCEIE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.343,233-391-3,10139-01-2,2'-nitrophenyl-2-acetamido-2-deoxy-a-D-glucopyranoside,2-nitrophenyl 2-acetamido-2-deoxyhexopyranoside,CC(=O)NC1C(O)C(O)C(CO)OC1Oc2ccccc2N(=O)=O,CC(=O)NC1C(O)C(O)C(CO)OC1Oc2ccccc2N(=O)=O,"InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)",C14H18N2O8,,,,,,PXMQUEGJJUADKD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.349,233-398-1,10140-87-1,"1,2-dichloroethyl acetate","1,2-dichloroethyl acetate",CC(=O)OC(Cl)CCl,CC(=O)OC(Cl)CCl,"InChI=1/C4H6Cl2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3",C4H6Cl2O2,,,,,,QRNBACUXNLBSDC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.356,233-405-8,10143-03-0,"5,5'-[4-(dimethylamino)benzylidene]bis(3-methylsalicylic) acid","3,3'-{[4-(dimethylamino)phenyl]methylene}bis(6-hydroxy-5-methylbenzoic acid)",CN(C)c1ccc(cc1)C(c2cc(C)c(O)c(c2)C(=O)O)c3cc(C)c(O)c(c3)C(=O)O,CN(C)c1ccc(cc1)C(c2cc(C)c(O)c(c2)C(=O)O)c3cc(C)c(O)c(c3)C(=O)O,"InChI=1/C25H25NO6/c1-13-9-16(11-19(22(13)27)24(29)30)21(15-5-7-18(8-6-15)26(3)4)17-10-14(2)23(28)20(12-17)25(31)32/h5-12,21,27-28H,1-4H3,(H,29,30)(H,31,32)",C25H25NO6,,,,,,JUJMADKPHJCRMU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.357,233-406-3,10143-07-4,Sodium 5-(phenylazo)salicylate,sodium 2-hydroxy-5-(phenyldiazenyl)benzoate,[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccccc2,[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccccc2,"InChI=1/C13H10N2O3.Na/c16-12-7-6-10(8-11(12)13(17)18)15-14-9-4-2-1-3-5-9;/h1-8,16H,(H,17,18);/q;+1/p-1",C13H10N2O3.Na,,,,,,BQKLAUJORLAFTN-UHFFFAOYSA-M,,,,,,,,,,,
100.030.358,233-407-9,10143-22-3,2-methoxyethyl bis(hydroxymethyl)carbamate,2-methoxyethyl bis(hydroxymethyl)carbamate,COCCOC(=O)N(CO)CO,COCCOC(=O)N(CO)CO,"InChI=1/C6H13NO5/c1-11-2-3-12-6(10)7(4-8)5-9/h8-9H,2-5H2,1H3",C6H13NO5,,,,,,SKJLIATVTKHMNL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.359,233-408-4,10143-32-5,1-(2-ethoxypropoxy)propan-2-ol,1-(2-ethoxypropoxy)propan-2-ol,CCOC(C)COCC(C)O,CCOC(C)COCC(C)O,"InChI=1/C8H18O3/c1-4-11-8(3)6-10-5-7(2)9/h7-9H,4-6H2,1-3H3",C8H18O3,,,,,,QWOZZTWBWQMEPD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.369,233-419-4,10151-02-7,"N-(1,1,3,3-tetramethylbutyl)formamide","N-(1,1,3,3-tetramethylbutyl)formamide",CC(C)(C)CC(C)(C)NC=O,CC(C)(C)CC(C)(C)NC=O,"InChI=1/C9H19NO/c1-8(2,3)6-9(4,5)10-7-11/h7H,6H2,1-5H3,(H,10,11)",C9H19NO,,,,,,NBXAPOVFSGOATB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.371,233-422-0,10152-76-8,Allyl methyl sulphide,3-(methylsulfanyl)prop-1-ene,CSCC=C,CSCC=C,"InChI=1/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3",C4H8S,,,,,,NVLPQIPTCCLBEU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.372,233-423-6,10153-83-0,"Butyl 2,4-dioxovalerate","butyl 2,4-dioxopentanoate",CCCCOC(=O)C(=O)CC(=O)C,CCCCOC(=O)C(=O)CC(=O)C,"InChI=1/C9H14O4/c1-3-4-5-13-9(12)8(11)6-7(2)10/h3-6H2,1-2H3",C9H14O4,,,,,,FOMYYQMPVKGWON-UHFFFAOYSA-N,,,,,,,,,,,
100.030.373,233-424-1,10154-75-3,3-(phenylsulphonyl)propiononitrile,3-(phenylsulfonyl)propanenitrile,O=S(=O)(CCC#N)c1ccccc1,O=S(=O)(CCC#N)c1ccccc1,"InChI=1/C9H9NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2",C9H9NO2S,,,,,,OVZPZPVSUAKTCM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.135,226-548-2,5422-88-8,Cyclopentyl phenyl ketone,cyclopentyl(phenyl)methanone,O=C(C1CCCC1)c2ccccc2,O=C(C1CCCC1)c2ccccc2,"InChI=1/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2",C12H14O,,,,,,VYDIMQRLNMMJBW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.112,228-723-9,6337-26-4,"Disodium 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonate","disodium 1,5-dihydroxy-4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate",[Na+].[Na+].Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H6N2O14S2.2Na/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)8-4(16(23)24)2-6(32(28,29)30)12(18)10(8)13(7)19;;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C14H6N2O14S2.2Na,,,,,,LXCKMUGIXYIYJS-UHFFFAOYSA-L,,,,,,,,,,,
100.026.113,228-724-4,6337-33-3,"2,3-dihydro-2,2-dimethylbenzofuran","2,2-dimethyl-2,3-dihydro-1-benzofuran",CC1(C)Cc2ccccc2O1,CC1(C)Cc2ccccc2O1,"InChI=1/C10H12O/c1-10(2)7-8-5-3-4-6-9(8)11-10/h3-6H,7H2,1-2H3",C10H12O,,,,,,UJMGZPCKYHBCKU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.754,230-528-9,7173-62-8,"(Z)-N-9-octadecenylpropane-1,3-diamine","N-octadec-9-en-1-ylpropane-1,3-diamine",CCCCCCCC\\C=C/CCCCCCCCNCCCN,CCCCCCCC\C=C/CCCCCCCCNCCCN,"InChI=1/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3",C21H44N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13462,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.754,TUFJPPAQOXUHRI-KTKRTIGZSA-N,,,,,,,,,,,
100.027.758,230-533-6,9/09/7175,7-bromo-5-methylquinolin-8-ol,7-bromo-5-methylquinolin-8-ol,Cc1cc(Br)c(O)c2ncccc12,Cc1cc(Br)c(O)c2ncccc12,"InChI=1/C10H8BrNO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9/h2-5,13H,1H3",C10H8BrNO,,,,,,JMOVFFLYGIQXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.358,215-794-6,1406-05-9,Penicillin,"6-[(5-amino-5-carboxypentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)SC2C(NC(=O)CCCC(N)C(=O)O)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)CCCC(N)C(=O)O)C(=O)N2C1C(=O)O,"InChI=1/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)",-,,,,,,MIFYHUACUWQUKT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.359,215-795-1,1406-07-1,"Penicillin, calcium salt","6-[(5-amino-5-carboxypentanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)SC2C(NC(=O)CCCC(N)C(=O)O)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)CCCC(N)C(=O)O)C(=O)N2C1C(=O)O,"InChI=1/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)",-,,,,,,MIFYHUACUWQUKT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.361,215-797-2,1406-16-2,Vitamin D,"9,10-secocholesta-5,7,10-trien-3-ol",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\\C(=C\\C=C/3\\C[C@@H](O)CCC3=C)\\CCC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C,"InChI=1/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3",-,,,,,,QYSXJUFSXHHAJI-YRZJJWOYSA-N,,,,,,,,,,,
100.013.647,215-011-8,1254-35-9,Oxabolone cipionate,4-hydroxy-3-oxoestr-4-en-17-yl 3-cyclopentylpropanoate,CC12CCC3C(CCC4=C(O)C(=O)CCC34)C1CCC2OC(=O)CCC5CCCC5,CC12CCC3C(CCC4=C(O)C(=O)CCC34)C1CCC2OC(=O)CCC5CCCC5,"InChI=1/C26H38O4/c1-26-15-14-18-17-9-11-22(27)25(29)20(17)8-7-19(18)21(26)10-12-23(26)30-24(28)13-6-16-4-2-3-5-16/h16-19,21,23,29H,2-15H2,1H3",C26H38O4,,,,,,KHKDIUPVDIEHAH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.651,215-016-5,1255-69-2,2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid,2-{bis[4-(dimethylamino)phenyl]methyl}-5-(dimethylamino)benzoic acid,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3C(=O)O)N(C)C,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3C(=O)O)N(C)C,"InChI=1/C26H31N3O2/c1-27(2)20-11-7-18(8-12-20)25(19-9-13-21(14-10-19)28(3)4)23-16-15-22(29(5)6)17-24(23)26(30)31/h7-17,25H,1-6H3,(H,30,31)",C26H31N3O2,,,,,,BQGGOSXJLSPVRH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.662,215-028-0,1262-78-8,Tetrakis(2-methyl-2-phenylpropyl)stannane,tetrakis(2-methyl-2-phenylpropyl)stannane,CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)CC(C)(C)c3ccccc3)c4ccccc4,CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)CC(C)(C)c3ccccc3)c4ccccc4,"InChI=1/4C10H13.Sn/c4*1-10(2,3)9-7-5-4-6-8-9;/h4*4-8H,1H2,2-3H3;/rC40H52Sn/c1-37(2,33-21-13-9-14-22-33)29-41(30-38(3,4)34-23-15-10-16-24-34,31-39(5,6)35-25-17-11-18-26-35)32-40(7,8)36-27-19-12-20-28-36/h9-28H,29-32H2,1-8H3",C40H52Sn,,,,,,HFCIGWLFXFUKOG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.664,215-030-1,1263-63-4,"Dimethyl 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionate","dimethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphine-2,18-diyl)dipropanoate",CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC,CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC,"InChI=1/C36H40N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18H,9-14H2,1-8H3",C36H42N4O4,,,,,,KXDBUXFHLISPRG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.419,227-961-0,6052-13-7,"N-ethyl-N,2,4,6-tetranitroaniline","N-ethyl-N,2,4,6-tetranitroaniline",CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H7N5O8/c1-2-9(13(20)21)8-6(11(16)17)3-5(10(14)15)4-7(8)12(18)19/h3-4H,2H2,1H3",C8H7N5O8,,,,,,AWOPOGMEMRZDQH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.421,227-963-1,6052-53-5,3-methyl-4-phenyl-3-butenoic acid,3-methyl-4-phenylbut-3-enoic acid,CC(=Cc1ccccc1)CC(O)=O,CC(=Cc1ccccc1)CC(O)=O,"InChI=1/C11H12O2/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,13)",C11H12O2,,,,,,NGJLFMBOFBKYHK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.424,227-966-8,6054-48-4,4-[(4-aminophenyl)azo]naphthalen-1-amine,4-[(4-aminophenyl)diazenyl]naphthalen-1-amine,Nc3ccc(N=Nc1ccc(N)cc1)c2ccccc23,Nc3ccc(N=Nc1ccc(N)cc1)c2ccccc23,"InChI=1/C16H14N4/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,17-18H2",C16H14N4,,,,,,QDPSGELUBXFKSB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.426,227-968-9,6054-59-7,"Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)","disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(Cl)c2cc(Nc3ccccc3)c4c(OS(=O)(=O)[O-])cc(Cl)c5cc(Nc6ccccc6)c1c2c45,[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(Cl)c2cc(Nc3ccccc3)c4c(OS(=O)(=O)[O-])cc(Cl)c5cc(Nc6ccccc6)c1c2c45,"InChI=1/C28H18Cl2N2O8S2.2Na/c29-19-14-24(40-42(36,37)38)28-22(32-16-9-5-2-6-10-16)12-18-20(30)13-23(39-41(33,34)35)27-21(11-17(19)26(28)25(18)27)31-15-7-3-1-4-8-15;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C28H18Cl2N2O8S2.2Na,,,,,,QGXMPHRBUQFMEA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.427,227-969-4,6054-74-6,"Octahydro-1,3,5,7-tetrazocine","1,3,5,7-tetrazocane",C1NCNCNCN1,C1NCNCNCN1,"InChI=1/C4H12N4/c1-5-2-7-4-8-3-6-1/h5-8H,1-4H2",C4H12N4,,,,,,ZNXALBRTUNJVIH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.438,227-982-5,6056-23-1,Ethyl (2-methoxyphenyl)acetate,ethyl (2-methoxyphenyl)acetate,CCOC(=O)Cc1ccccc1OC,CCOC(=O)Cc1ccccc1OC,"InChI=1/C11H14O3/c1-3-14-11(12)8-9-6-4-5-7-10(9)13-2/h4-7H,3,8H2,1-2H3",C11H14O3,,,,,,KUYZGEJNMWFBSM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.632,228-194-4,6163-73-1,2-methoxyethyl dihydrogen phosphate,2-methoxyethyl dihydrogen phosphate,OP(=O)(O)OCCOC,OP(=O)(O)OCCOC,"InChI=1/C3H9O5P/c1-7-2-3-8-9(4,5)6/h2-3H2,1H3,(H2,4,5,6)",C9H21O7P,,,,,,CKIDCAPNNGWMCC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.633,228-196-5,6164-47-2,Protopine hydrochloride,"7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one hydrochloride",Cl.CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1,Cl.CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1,"InChI=1/C20H19NO5.ClH/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17;/h2-3,7-8H,4-6,9-11H2,1H3;1H",C20H19NO5.ClH,,,,,,NWNVDSJZGYDVQW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.634,228-197-0,6164-78-9,"Pyrazine-2,3-dicarboxamide","pyrazine-2,3-dicarboxamide",NC(=O)c1nccnc1C(=O)N,NC(=O)c1nccnc1C(=O)N,"InChI=1/C6H6N4O2/c7-5(11)3-4(6(8)12)10-2-1-9-3/h1-2H,(H2,7,11)(H2,8,12)",C6H6N4O2,,,,,,TZMYZOQDDVSLJU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.638,228-201-0,6165-51-1,2-(1-phenylethyl)-p-xylene,"1,4-dimethyl-2-(1-phenylethyl)benzene",CC(c1ccccc1)c2cc(C)ccc2C,CC(c1ccccc1)c2cc(C)ccc2C,"InChI=1/C16H18/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3",C16H18,,,,,,FRAOOIFTSMORED-UHFFFAOYSA-N,,,,,,,,,,,
100.025.641,228-204-7,6166-86-5,"2,4,6,8,10-pentamethylcyclopentasiloxane","2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentoxapentasilecane",C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O1,C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O1,"InChI=1/C5H20O5Si5/c1-11-6-12(2)8-14(4)10-15(5)9-13(3)7-11/h11-15H,1-5H3",C5H20O5Si5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15795,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.641,HGPDWMTUQRNTQT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.643,228-206-8,6168-64-5,"[1R-(1a,4ß,5ß,8S*)]-1-isopropyl-4,8-dimethylspiro[4.5]decane-2,7-dione","1-isopropyl-4,8-dimethylspiro[4.5]decane-2,7-dione",CC(C)C1C(=O)CC(C)C12CCC(C)C(=O)C2,CC(C)C1C(=O)CC(C)C12CCC(C)C(=O)C2,"InChI=1/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3",C15H24O2,,,,,,AGUISGUERLMHFF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.646,228-209-4,6168-83-8,(S)-3-hydroxybutyric acid,3-hydroxybutanoic acid,C[C@H](O)CC(=O)O,C[C@H](O)CC(=O)O,"InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)",C4H8O3,,,,,,WHBMMWSBFZVSSR-VKHMYHEASA-N,,,,,,,,,,,
100.025.650,228-214-1,7/08/6170,"(20S)-5a-pregnane-3ß,20-diol diacetate","pregnane-3,20-diyl diacetate",C[C@H](OC(=O)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,C[C@H](OC(=O)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3",C25H40O4,,,,,,VDZDKQBSTYNFGG-CVDNUPSHSA-N,,,,,,,,,,,
100.025.652,228-216-2,6170-42-9,Chloropyramine hydrochloride,"N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine hydrochloride",Cl.CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2,Cl.CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2,"InChI=1/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H",C16H20ClN3.ClH,,,,,,VEYWWAGBHABATA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.655,228-219-9,6175-23-1,"Nonane-2,4-dione","nonane-2,4-dione",CCCCCC(=O)CC(=O)C,CCCCCC(=O)CC(=O)C,"InChI=1/C9H16O2/c1-3-4-5-6-9(11)7-8(2)10/h3-7H2,1-2H3",C9H16O2,,,,,,KFBXUKHERGLHLG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.664,228-229-3,2/11/6182,Propylene distearate,"propane-1,2-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3",C39H76O4,,,,,,JEMDXOYRWHZUCG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.296,233-340-5,10124-53-5,Magnesium thiosulphate,magnesium thiosulfate,[Mg+2].[O-]S(=O)(=O)[S-],[Mg+2].[O-]S(=O)(=O)[S-],"InChI=1/Mg.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",H2O3S2.Mg,,,,,,TZKHCTCLSRVZEY-UHFFFAOYSA-L,,,,,,,,,,,
100.030.301,233-345-2,10124-68-2,N-octylacrylamide,N-octylacrylamide,CCCCCCCCNC(=O)C=C,CCCCCCCCNC(=O)C=C,"InChI=1/C11H21NO/c1-3-5-6-7-8-9-10-12-11(13)4-2/h4H,2-3,5-10H2,1H3,(H,12,13)",C11H21NO,,,,,,AWGZKFQMWZYCHF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.302,233-346-8,10124-98-8,"Deca-1,4,9-triene","deca-1,4,9-triene",C=CCCCC=CCC=C,C=CCCCC=CCC=C,"InChI=1/C10H16/c1-3-5-7-9-10-8-6-4-2/h3-4,7,9H,1-2,5-6,8,10H2",C10H16,,,,,,TVEFFNLPYIEDLS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.455,226-900-5,5538-57-8,3-hydroxy-7-methoxy-N-(o-tolyl)naphthalene-2-carboxamide,3-hydroxy-7-methoxy-N-(2-methylphenyl)-2-naphthamide,COc1ccc2cc(O)c(cc2c1)C(=O)Nc3ccccc3C,COc1ccc2cc(O)c(cc2c1)C(=O)Nc3ccccc3C,"InChI=1/C19H17NO3/c1-12-5-3-4-6-17(12)20-19(22)16-10-14-9-15(23-2)8-7-13(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)",C19H17NO3,,,,,,ISYIACJPZHHKAB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.456,226-901-0,5538-94-3,Dimethyldioctylammonium chloride,"N,N-dimethyl-N-octyloctan-1-aminium chloride",[Cl-].CCCCCCCC[N+](C)(C)CCCCCCCC,[Cl-].CCCCCCCC[N+](C)(C)CCCCCCCC,"InChI=1/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1",C18H40N.Cl,,,,,,FARBQUXLIQOIDY-UHFFFAOYSA-M,,,,,,,,,,,
100.024.460,226-905-2,5541-67-3,5-methylquinolin-8-ol,5-methylquinolin-8-ol,Cc1ccc(O)c2ncccc12,Cc1ccc(O)c2ncccc12,"InChI=1/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,12H,1H3",C10H9NO,,,,,,RPVGLMKJGQMQSN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.466,226-912-0,5545-52-8,4-tert-butyl hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate,2-{[(benzyloxy)carbonyl]amino}-4-tert-butoxy-4-oxobutanoic acid (non-preferred name),CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O,CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C16H21NO6/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)",C16H21NO6,,,,,,HLSLRFBLVZUVIE-LBPRGKRZSA-N,,,,,,,,,,,
100.024.470,226-916-2,5552-30-7,"6,7,8,8a-tetrahydro-2,5,5,8a-tetramethyl-5H-1-benzopyran","2,5,5,8a-tetramethyl-6,7,8,8a-tetrahydro-5H-chromene",CC1=CC=C2C(C)(C)CCCC2(C)O1,CC1=CC=C2C(C)(C)CCCC2(C)O1,"InChI=1/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h6-7H,5,8-9H2,1-4H3",C13H20O,,,,,,KYOSLSFHZKIUEM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.477,226-924-6,5558-66-7,"2,2-diphenylpropionic acid","2,2-diphenylpropanoic acid",CC(C(=O)O)(c1ccccc1)c2ccccc2,CC(C(=O)O)(c1ccccc1)c2ccccc2,"InChI=1/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)",C15H14O2,,,,,,ODELFXJUOVNEFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.482,226-929-3,5560-59-8,Alverine dihydrogen citrate,"N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCN(CCCc1ccccc1)CCCc2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCN(CCCc1ccccc1)CCCc2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C20H27N.C6H8O7,,,,,,RYHCACJBKCOBTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.483,226-930-9,5560-62-3,Xenysalate hydrochloride,2-(diethylamino)ethyl 2-hydroxybiphenyl-3-carboxylate hydrochloride,Cl.CCN(CC)CCOC(=O)c1cccc(c1O)c2ccccc2,Cl.CCN(CC)CCOC(=O)c1cccc(c1O)c2ccccc2,"InChI=1/C19H23NO3.ClH/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15;/h5-12,21H,3-4,13-14H2,1-2H3;1H",C19H23NO3.ClH,,,,,,IBBPBOICXYUQID-UHFFFAOYSA-N,,,,,,,,,,,
100.028.076,230-884-5,7355-58-0,N-(2-chloroethyl)acetamide,N-(2-chloroethyl)acetamide,CC(=O)NCCCl,CC(=O)NCCCl,"InChI=1/C4H8ClNO/c1-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)",C4H8ClNO,,,,,,HSKNJSHFPPHTAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.079,230-887-1,7356-41-4,"2,5-xylyloxyacetic acid","(2,5-dimethylphenoxy)acetic acid",Cc1ccc(C)c(OCC(=O)O)c1,Cc1ccc(C)c(OCC(=O)O)c1,"InChI=1/C10H12O3/c1-7-3-4-8(2)9(5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",C10H12O3,,,,,,RSJMMLSDGNQOEO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.080,230-888-7,7356-81-2,"N,N'''-1,6-hexanediylbisguanidine dihydrochloride","N,N'''-hexane-1,6-diyldiguanidine",NC(=N)NCCCCCCNC(=N)N,NC(=N)NCCCCCCNC(=N)N,"InChI=1/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)",C8H20N6.2ClH,,,,,,WBLYUCKTWSGGBI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.088,230-897-6,7360-47-6,Iron tributanolate,iron(3+) tributan-1-olate,[Fe+3].CCCC[O-].CCCC[O-].CCCC[O-],[Fe+3].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/3C4H9O.Fe/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3",C4H10O.1/3Fe,,,,,,SFVJVIQIWGMENJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.092,230-901-6,7361-43-5,N-glycyl-L-serine,glycyl-L-serine,NCC(=O)N[C@@H](CO)C(=O)O,NCC(=O)N[C@@H](CO)C(=O)O,"InChI=1/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)",C5H10N2O4,,,,,,BCCRXDTUTZHDEU-VKHMYHEASA-N,,,,,,,,,,,
100.028.094,230-903-7,7364-19-4,p-tert-butylethylbenzene,1-tert-butyl-4-ethylbenzene,CC(C)(C)c1ccc(CC)cc1,CC(C)(C)c1ccc(CC)cc1,"InChI=1/C12H18/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,5H2,1-4H3",C12H18,,,,,,OYBFKZHDPTTWGE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.095,230-904-2,7364-25-2,"1,2-dihydro-3H-indazol-3-one","1,2-dihydro-3H-indazol-3-one",O=C1NNc2ccccc12,O=C1NNc2ccccc12,"InChI=1/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)",C7H6N2O,,,,,,SWEICGMKXPNXNU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.100,230-910-5,7366-56-5,4-(2-thioureido)benzoic acid,4-(carbamothioylamino)benzoic acid,NC(=S)Nc1ccc(cc1)C(=O)O,NC(=S)Nc1ccc(cc1)C(=O)O,"InChI=1/C8H8N2O2S/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)",C8H8N2O2S,,,,,,FOYDMXZTPAEILY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.759,230-534-1,7175-49-7,N-cyclohexyl-N-ethylcyclohexylamine,N-cyclohexyl-N-ethylcyclohexanamine,CCN(C1CCCCC1)C2CCCCC2,CCN(C1CCCCC1)C2CCCCC2,"InChI=1/C14H27N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3",C14H27N,,,,,,XRKQMIFKHDXFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.768,230-544-6,7179-94-4,Tetrahydrofurfuryl-2-methylamine,1-(2-methyltetrahydrofuran-2-yl)methanamine,CC1(CN)CCCO1,CC1(CN)CCCO1,"InChI=1/C6H13NO/c1-6(5-7)3-2-4-8-6/h2-5,7H2,1H3",C6H13NO,,,,,,DLKKHCBCEHVVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.771,230-547-2,7182-80-1,Amidinourea sulphate,1-carbamimidoylurea sulfate,NC(=N)NC(=O)N.OS(=O)(=O)O,NC(=N)NC(=O)N.OS(=O)(=O)O,"InChI=1/C2H6N4O.H2O4S/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H2,1,2,3,4)",C2H6N4O.xH2O4S,,,,,,SQRSGVMGWSKZTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.773,230-549-3,7182-99-2,Ethyl 4-[(phenylmethylene)amino]benzoate,ethyl 4-(benzylideneamino)benzoate,CCOC(=O)c2ccc(N=Cc1ccccc1)cc2,CCOC(=O)c2ccc(N=Cc1ccccc1)cc2,"InChI=1/C16H15NO2/c1-2-19-16(18)14-8-10-15(11-9-14)17-12-13-6-4-3-5-7-13/h3-12H,2H2,1H3",C16H15NO2,,,,,,UEDPIABBBXACGR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.774,230-550-9,1/01/7187,3-(2-furyl)-acrylonitrile,3-(2-furyl)acrylonitrile,N#C\\C=C\\c1occc1,N#C\C=C\c1occc1,"InChI=1/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H",C7H5NO,,,,,,ZHKAQNFBQHPERX-HNQUOIGGSA-N,,,,,,,,,,,
100.027.778,230-555-6,7189-82-4,"2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole","2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-2'H-1,2'-biimidazole",Clc1ccccc1c2nc(c3ccccc3)c(c4ccccc4)n2C5(N=C(C(=N5)c6ccccc6)c7ccccc7)c8ccccc8Cl,Clc1ccccc1c2nc(c3ccccc3)c(c4ccccc4)n2C5(N=C(C(=N5)c6ccccc6)c7ccccc7)c8ccccc8Cl,InChI=1/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-39(31-21-9-3-10-22-31)40(32-23-11-4-12-24-32)48(41)42(34-26-14-16-28-36(34)44)46-37(29-17-5-1-6-18-29)38(47-42)30-19-7-2-8-20-30/h1-28H,C42H28Cl2N4,,,,,,MHDULSOPQSUKBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.244,232-168-8,7789-46-0,Iron dibromide,iron(2+) dibromide,Br[Fe]Br,Br[Fe]Br,InChI=1/2BrH.Fe/h2*1H;/q;;+2/p-2,Br2Fe,,,,,,GYCHYNMREWYSKH-UHFFFAOYSA-L,,,,,,,,,,,
100.029.248,232-173-5,7789-52-8,Selenium bromide,selenium(2+) dibromide,[SeH4+2].[Br-].[Br-],[SeH4+2].[Br-].[Br-],InChI=1/2BrH.H4Se/h2*1H;1H4/q;;+2/p-2,Br2Se2,,,,,,ORZUQNZLXJLNJP-UHFFFAOYSA-L,,,,,,,,,,,
100.029.249,232-174-0,7789-54-0,Tellurium dibromide,tellurium(2+) dibromide,[Br-].[Br-].[TeH2+2],[Br-].[Br-].[TeH2+2],InChI=1/2BrH.H2Te/h2*1H;1H2/q;;+2/p-2,Br2Te,,,,,,ZSLOTCNYTLRMGI-UHFFFAOYSA-L,,,,,,,,,,,
100.024.503,226-952-9,5577-13-9,Ethyl [(4-methylphenyl)sulphonyl]carbamate,ethyl [(4-methylphenyl)sulfonyl]carbamate,CCOC(=O)NS(=O)(=O)c1ccc(C)cc1,CCOC(=O)NS(=O)(=O)c1ccc(C)cc1,"InChI=1/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)",C10H13NO4S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6761,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.503,DFWQXANLGSXMKF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.504,226-953-4,5577-48-0,Hexan-2-one oxime,hexan-2-one oxime,CC(CCCC)=NO,CC(CCCC)=NO,"InChI=1/C6H13NO/c1-3-4-5-6(2)7-8/h8H,3-5H2,1-2H3",C6H13NO,,,,,,WHXCGIRATPOBAY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.505,226-955-5,5578-41-6,2-(dichloromethylsilyl)ethyl acetate,2-[dichloro(methyl)silyl]ethyl acetate,CC(=O)OCC[Si](C)(Cl)Cl,CC(=O)OCC[Si](C)(Cl)Cl,"InChI=1/C5H10Cl2O2Si/c1-5(8)9-3-4-10(2,6)7/h3-4H2,1-2H3",C5H10Cl2O2Si,,,,,,PQRDQYBXXDZDBY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.515,226-966-5,5579-84-0,Betahistine dihydrochloride,N-methyl-2-pyridin-2-ylethanamine dihydrochloride,Cl.Cl.CNCCc1ccccn1,Cl.Cl.CNCCc1ccccn1,"InChI=1/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H",C8H12N2.2ClH,,,,,,XVDFMHARQUBJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.517,226-968-6,5579-92-0,Iopydol,"1-(2,3-dihydroxypropyl)-3,5-diiodopyridin-4(1H)-one",OCC(O)CN1C=C(I)C(=O)C(=C1)I,OCC(O)CN1C=C(I)C(=O)C(=C1)I,"InChI=1/C8H9I2NO3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4H2",C8H9I2NO3,,,,,,TZADDXVKYWMEHX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.521,226-972-8,5580-79-0,"2,3,4,5-tetrafluoronitrobenzene","1,2,3,4-tetrafluoro-5-nitrobenzene",[O-][N+](=O)c1cc(F)c(F)c(F)c1F,[O-][N+](=O)c1cc(F)c(F)c(F)c1F,InChI=1/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H,C6HF4NO2,,,,,,MKMDVNZEIQDZEP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.526,226-978-0,5581-66-8,Methyltripropoxysilane,methyl(tripropoxy)silane,CCCO[Si](C)(OCCC)OCCC,CCCO[Si](C)(OCCC)OCCC,"InChI=1/C10H24O3Si/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-10H2,1-4H3",C10H24O3Si,,,,,,RJMRIDVWCWSWFR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.529,226-981-7,5582-62-7,Trimethyl(2-propynyloxy)silane,trimethyl(prop-2-yn-1-yloxy)silane,C[Si](C)(C)OCC#C,C[Si](C)(C)OCC#C,"InChI=1/C6H12OSi/c1-5-6-7-8(2,3)4/h1H,6H2,2-4H3",C6H12OSi,,,,,,ZZRPJWCNCLSOLR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.442,227-986-7,6058-62-4,"2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt","pentasodium 5-[(4-chloro-6-{[5-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]amino}-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc7nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc6cc(Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)ccc6S([O-])(=O)=O)n7,[Na+].[Na+].[Na+].[Na+].[Na+].Clc7nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc6cc(Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)ccc6S([O-])(=O)=O)n7,"InChI=1/C34H24Cl2N12O16S5.5Na/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-24(68(59,60)61)21(13-17)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-20-6-1-2-7-23(20)67(56,57)58;;;;;/h1-14,49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46);;;;;/q;5*+1/p-5",C34H24Cl2N12O16S5.5Na,,,,,,ZRCJIGDQHDCZMJ-UHFFFAOYSA-I,,,,,,,,,,,
100.025.447,227-991-4,6064-63-7,DL-2-hydroxyhexanoic acid,2-hydroxyhexanoic acid,CCCCC(O)C(=O)O,CCCCC(O)C(=O)O,"InChI=1/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)",C6H12O3,,,,,,NYHNVHGFPZAZGA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.594,216-052-4,1484-09-9,9-isopropyl-9H-carbazole,9-isopropyl-9H-carbazole,CC(C)n1c2ccccc2c3ccccc13,CC(C)n1c2ccccc2c3ccccc13,"InChI=1/C15H15N/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,1-2H3",C15H15N,,,,,,LSZJZNNASZFXKN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.604,216-063-4,1485-70-7,N-benzylbenzamide,N-benzylbenzamide,O=C(NCc1ccccc1)c2ccccc2,O=C(NCc1ccccc1)c2ccccc2,"InChI=1/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)",C14H13NO,,,,,,LKQUCICFTHBFAL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.616,216-077-0,1490-25-1,Methyl 4-chloro-4-oxobutyrate,methyl 4-chloro-4-oxobutanoate,COC(=O)CCC(=O)Cl,COC(=O)CCC(=O)Cl,"InChI=1/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3",C5H7ClO3,,,,,,SRXOJMOGPYFZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.621,216-082-8,1492-18-8,Calcium folinate,"calcium 2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)amino]pentanedioate",[Ca+2].NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N2C=O)N1,[Ca+2].NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N2C=O)N1,"InChI=1/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2",C20H23N7O7.Ca,,,,,,KVUAALJSMIVURS-ZEDZUCNESA-L,,,,,,,,,,,
100.014.626,216-088-0,1493-27-2,1-fluoro-2-nitrobenzene,1-fluoro-2-nitrobenzene,[O-][N+](=O)c1ccccc1F,[O-][N+](=O)c1ccccc1F,InChI=1/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,C6H4FNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11928,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.626,PWKNBLFSJAVFAB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.631,216-093-8,1497-32-1,"Thiobenzoic acid, anhydrosulphide with O,O-diethyl dithiophosphorate","S-benzoyl O,O-diethyl dithiophosphate",CCOP(=S)(OCC)SC(=O)c1ccccc1,CCOP(=S)(OCC)SC(=O)c1ccccc1,"InChI=1/C11H15O3PS2/c1-3-13-15(16,14-4-2)17-11(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C11H15O3PS2,,,,,,AHBICOVYCZVUHW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.632,216-094-3,1497-49-0,"N-[5-(phenylamino)penta-2,5-dienylidene]aniline monohydrochloride","N,N'-penta-1,3-dien-1-yl-5-ylidenedianiline",N(C=CC=CC=Nc1ccccc1)c2ccccc2,N(C=CC=CC=Nc1ccccc1)c2ccccc2,"InChI=1/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-15,18H",C17H16N2.ClH,,,,,,UDWRJSSBFBSTOO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.638,216-102-5,1498-88-0,"1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]","1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]",CN1c2ccccc2C(C)(C)C13Oc4ccc(cc4C=C3)[N+](=O)[O-],CN1c2ccccc2C(C)(C)C13Oc4ccc(cc4C=C3)[N+](=O)[O-],"InChI=1/C19H18N2O3/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21(22)23)8-9-17(13)24-19/h4-12H,1-3H3",C19H18N2O3,,,,,,PSXPTGAEJZYNFI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.641,216-105-1,1499-10-1,"9,10-diphenylanthracene","9,10-diphenylanthracene",c1ccc(cc1)c2c3ccccc3c(c4ccccc4)c5ccccc25,c1ccc(cc1)c2c3ccccc3c(c4ccccc4)c5ccccc25,InChI=1/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H,C26H18,,,,,,FCNCGHJSNVOIKE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.887,225-176-8,4701-17-1,5-bromothiophene-2-carbaldehyde,5-bromothiophene-2-carbaldehyde,Brc1ccc(C=O)s1,Brc1ccc(C=O)s1,InChI=1/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H,C5H3BrOS,,,,,,GFBVUFQNHLUCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.907,225-198-8,4710-17-2,"N,N-dimethyl-N'-phenylsulphamide","N,N-dimethyl-N'-phenylsulfamide",CN(C)S(=O)(=O)Nc1ccccc1,CN(C)S(=O)(=O)Nc1ccccc1,"InChI=1/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3",C8H12N2O2S,,,,,,QCDQDISRALTLNQ-UHFFFAOYSA-N,Positive/Negative,AU204201|AU204202|AU204203;EA029601|EA029602|EA029603|EA029604|EA029605|EA029606|EA029607|EA029608|EA029609|EA029610|EA029611|EA029612|EA029613|EA029614,[M+H]+;[M+H]+,CID10|CID20|CID30;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,201.0685:137.1063:202.071|137.1066:122.0827:121.088|122.0832:120.0793:121.0749;137.1075:94.0652:93.0573|201.0694:137.1074:93.0573|92.0496:137.1075:93.0574|92.0495:93.0573:137.1075|92.0496:93.0574:65.0386|92.0495:65.0386:93.0573|92.0495:65.0386:93.0573|201.0694:137.1075:93.0574|92.0496:137.1074:93.0574|92.0495:93.0573:137.1073|92.0495:93.0573:65.0386|92.0495:65.0386:93.0573|92.0495:65.0386:93.0573|137.1075:94.0652:93.0574,Athens_Univ;Eawag,AU204251|AU204252;EA029651|EA029652|EA029653|EA029654|EA029655|EA029656|EA029657|EA029658|EA029659|EA029660|EA029661|EA029662|EA029664,[M-H]-;[M-H]-,CID10|CID20;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,199.055:155.0046:200.061|155.0043:199.0536;155.005:91.043:156.0131|199.0551|199.0547:155.0048|199.0553:91.0429:155.0042|91.0428|91.0427|91.043|199.0547|199.0549|199.0549:155.0047:91.0429|91.0428|91.0427|155.0048:91.0429:156.0124,Athens_Univ;Eawag
100.030.305,233-349-4,10126-90-6,"Tetrasodium 2-[1-amino-9,10-bis(sulphonatooxy)-2-anthryl]anthra[2,3-d]oxazole-5,10-diyl bis(sulphate)","tetrasodium 1-amino-2-[5,10-bis(sulfonatooxy)anthra[2,3-d][1,3]oxazol-2-yl]anthracene-9,10-diyl disulfate",[Na+].[Na+].[Na+].[Na+].Nc1c(ccc2c(OS(=O)(=O)[O-])c3ccccc3c(OS(=O)(=O)[O-])c12)c4oc5cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6cc5n4,[Na+].[Na+].[Na+].[Na+].Nc1c(ccc2c(OS(=O)(=O)[O-])c3ccccc3c(OS(=O)(=O)[O-])c12)c4oc5cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6cc5n4,"InChI=1/C29H18N2O17S4.4Na/c30-24-18(10-9-17-23(24)28(48-52(41,42)43)16-8-4-3-7-15(16)25(17)45-49(32,33)34)29-31-21-11-19-20(12-22(21)44-29)27(47-51(38,39)40)14-6-2-1-5-13(14)26(19)46-50(35,36)37;;;;/h1-12H,30H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;;/q;4*+1/p-4",C29H18N2O17S4.4Na,,,,,,FMBRXVYUCDRWAG-UHFFFAOYSA-J,,,,,,,,,,,
100.030.314,233-359-9,10128-36-6,(±)-a-[(ethylamino)methyl]-m-hydroxybenzyl alcohol,3-[2-(ethylamino)-1-hydroxyethyl]phenol,CCNCC(O)c1cccc(O)c1,CCNCC(O)c1cccc(O)c1,"InChI=1/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3",C10H15NO2,,,,,,SQVIAVUSQAWMKL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.317,233-363-0,10129-71-2,"2,6-bis(2-phenylvinyl)pyridine","2,6-bis(2-phenylvinyl)pyridine",C(=C\\c1cccc(\\C=C\\c2ccccc2)n1)/c3ccccc3,C(=C\c1cccc(\C=C\c2ccccc2)n1)/c3ccccc3,InChI=1/C21H17N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-17H,C21H17N,,,,,,GFUKPDBFDRKRRO-YXLFCKQPSA-N,,,,,,,,,,,
100.030.319,233-365-1,10130-29-7,Sodium 6-methyl-2-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]benzothiazole-7-sulphonate,"sodium 6-methyl-2-(4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}phenyl)-1,3-benzothiazole-7-sulfonate",[Na+].CC(=O)C(N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)C(=O)Nc4ccccc4,[Na+].CC(=O)C(N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)C(=O)Nc4ccccc4,"InChI=1/C24H20N4O5S2.Na/c1-14-8-13-19-21(22(14)35(31,32)33)34-24(26-19)16-9-11-18(12-10-16)27-28-20(15(2)29)23(30)25-17-6-4-3-5-7-17;/h3-13,20H,1-2H3,(H,25,30)(H,31,32,33);/q;+1/p-1",C24H20N4O5S2.Na,,,,,,PUIBHZWIHWXAKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.030.320,233-366-7,10130-48-0,"Disodium 3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate","disodium 3-[(4-acetamidophenyl)diazenyl]-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccc(NC(C)=O)cc2)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccc(NC(C)=O)cc2)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C25H22N4O10S3.2Na/c1-14-3-9-19(10-4-14)40(32,33)29-21-13-20(41(34,35)36)11-16-12-22(42(37,38)39)24(25(31)23(16)21)28-27-18-7-5-17(6-8-18)26-15(2)30;;/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C25H22N4O10S3.2Na,,,,,,RHEGITQOJDSUSE-UHFFFAOYSA-L,,,,,,,,,,,
100.030.330,233-377-7,10137-69-6,Trichloro-3-cyclohexen-1-ylsilane,trichloro(cyclohex-3-en-1-yl)silane,Cl[Si](Cl)(Cl)C1CCC=CC1,Cl[Si](Cl)(Cl)C1CCC=CC1,"InChI=1/C6H9Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2",C6H9Cl3Si,,,,,,TTYRJPILQGWBOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.335,233-382-4,10138-04-2,Ammonium iron bis(sulphate),ammonium iron bis(sulphate),[NH4+].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,[NH4+].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1/Fe.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",Fe.H3N.2H2O4S,,,,,,XGGLLRJQCZROSE-UHFFFAOYSA-K,,,,,,,,,,,
100.026.058,228-663-3,6318-55-4,"2,5-dihydro-2,5-dioxofuran-3-acetic acid","(2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid",OC(=O)CC1=CC(=O)OC1=O,OC(=O)CC1=CC(=O)OC1=O,"InChI=1/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h2H,1H2,(H,7,8)",C6H4O5,,,,,,GVJRTUUUJYMTNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.060,228-665-4,1/02/6320,2-bromobenzenethiol,2-bromobenzenethiol,Sc1ccccc1Br,Sc1ccccc1Br,"InChI=1/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5BrS,,,,,,YUQUNWNSQDULTI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.062,228-668-0,6320-14-5,"2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride","1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3H-indolium chloride",[Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C,[Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1",C25H29N2.Cl,,,,,,QCGOYKXFFGQDFY-UHFFFAOYSA-M,,,,,,,,,,,
100.026.068,228-674-3,6321-40-0,Tris(2-methylallyl)amine,"2-methyl-N,N-bis(2-methylprop-2-en-1-yl)prop-2-en-1-amine",CC(=C)CN(CC(=C)C)CC(=C)C,CC(=C)CN(CC(=C)C)CC(=C)C,"InChI=1/C12H21N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h1,3,5,7-9H2,2,4,6H3",C12H21N,,,,,,FXBJYRVIFGLPBC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.073,228-680-6,6322-49-2,4-chlorobutan-2-one,4-chlorobutan-2-one,CC(=O)CCCl,CC(=O)CCCl,"InChI=1/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3",C4H7ClO,,,,,,MAGOYBJJLVSJIC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.077,228-684-8,4/11/6324,(o-hydroxyphenoxy)acetic acid,(2-hydroxyphenoxy)acetic acid,OC(=O)COc1ccccc1O,OC(=O)COc1ccccc1O,"InChI=1/C8H8O4/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)",C8H8O4,,,,,,LPXHPAYRONCQIF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.079,228-686-9,6324-72-7,"2-amino-1,7,8,9-tetrahydro-2-thioxo-6H-purin-6-one","2-amino-8-thioxo-1,7,8,9-tetrahydro-6H-purin-6-one",NC1=NC2=C(NC(=S)N2)C(=O)N1,NC1=NC2=C(NC(=S)N2)C(=O)N1,"InChI=1/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)",C5H5N5OS,,,,,,JHEKNTQSGTVPAO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.083,228-691-6,6325-93-5,4-nitrobenzenesulphonamide,4-nitrobenzenesulfonamide,NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)",C6H6N2O4S,,,,,,QWKKYJLAUWFPDB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.104,230-914-7,7367-83-1,Methyl (Z)-4-decenoate,methyl dec-4-enoate,CCCCC\\C=C/CCC(=O)OC,CCCCC\C=C/CCC(=O)OC,"InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3",C11H20O2,,,,,,CRHITZQXHNFRAZ-FPLPWBNLSA-N,,,,,,,,,,,
100.028.107,230-917-3,7367-87-5,Methyl 3-hydroxyoctanoate,methyl 3-hydroxyoctanoate,CCCCCC(O)CC(=O)OC,CCCCCC(O)CC(=O)OC,"InChI=1/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3",C9H18O3,,,,,,FHWBTAQRRDZDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.110,230-921-5,7369-27-9,"o-xylene-3,a,a'-triol","2,3-bis(hydroxymethyl)phenol",OCc1cccc(O)c1CO,OCc1cccc(O)c1CO,"InChI=1/C8H10O3/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3,9-11H,4-5H2",C8H10O3,,,,,,ZBSGNEYIENETRW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.116,230-927-8,7370-92-5,Tetrahydro-6-octyl-2H-pyran-2-one,6-octyltetrahydro-2H-pyran-2-one,CCCCCCCCC1CCCC(=O)O1,CCCCCCCCC1CCCC(=O)O1,"InChI=1/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3",C13H24O2,,,,,,RZZLMGATMUAJPX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.117,230-928-3,7372-13-6,N-(carboxymethyl)-N-(2-hydroxyphenyl)sarcosine,"2,2'-[(2-hydroxybenzyl)imino]diacetic acid",OC(=O)CN(CC(=O)O)Cc1ccccc1O,OC(=O)CN(CC(=O)O)Cc1ccccc1O,"InChI=1/C11H13NO5/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)",C11H13NO5,,,,,,WEEDGRHKIMNHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.084,226-492-9,1/01/5412,2-(2-isopropoxyethoxy)ethanol,2-(2-isopropoxyethoxy)ethanol,CC(C)OCCOCCO,CC(C)OCCOCCO,"InChI=1/C7H16O3/c1-7(2)10-6-5-9-4-3-8/h7-8H,3-6H2,1-2H3",C7H16O3,,,,,,HRWADRITRNUCIY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.093,226-502-1,5413-75-2,"Sodium 6-hydroxy-5-(4-phenylazophenylazo)naphthalene-2,4-disulphonate","disodium 7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4cc3ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c3c(c4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4cc3ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c3c(c4)S([O-])(=O)=O,"InChI=1/C22H16N4O7S2.2Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C22H16N4O7S2.2Na,,,,,,PEAGNRWWSMMRPZ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.097,226-506-3,5415-23-6,"2,6-dibromo-4-[(p-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one, sodium salt",-,[Na+].Br\\C2=C\\C(=N/c1ccc(O)cc1)\\C=C(\\Br)C2=O,[Na+].Br\C2=C\C(=N/c1ccc(O)cc1)\C=C(\Br)C2=O,"InChI=1/C12H7Br2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1",C12H7Br2NO2.Na,,,,,,XFFDCGLVVOTKOS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.099,226-508-4,5415-80-5,"2,3-diphenylpropylamine","2,3-diphenylpropan-1-amine",NCC(Cc1ccccc1)c2ccccc2,NCC(Cc1ccccc1)c2ccccc2,"InChI=1/C15H17N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2",C15H17N,,,,,,RHRYWWVGUVEZRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.100,226-510-5,5416-14-8,"2,2'-[hexane-1,6-diylbis(thio)]bisethanol","2,2'-(hexane-1,6-diyldisulfanediyl)diethanol",OCCSCCCCCCSCCO,OCCSCCCCCCSCCO,"InChI=1/C10H22O2S2/c11-5-9-13-7-3-1-2-4-8-14-10-6-12/h11-12H,1-10H2",C10H22O2S2,,,,,,TUWUPOYDYIRWEI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.105,226-515-2,5417-17-4,2-chloroveratraldehyde,"2-chloro-3,4-dimethoxybenzaldehyde",COc1ccc(C=O)c(Cl)c1OC,COc1ccc(C=O)c(Cl)c1OC,"InChI=1/C9H9ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-5H,1-2H3",C9H9ClO3,,,,,,SAWHDJTZESXNMM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.107,226-517-3,5417-30-1,Butyl 12-hydroxyoctadecanoate,butyl 12-hydroxyoctadecanoate,CCCCCCC(O)CCCCCCCCCCC(=O)OCCCC,CCCCCCC(O)CCCCCCCCCCC(=O)OCCCC,"InChI=1/C22H44O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h21,23H,3-20H2,1-2H3",C22H44O3,,,,,,UJMGZZUDBFIODG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.108,226-518-9,5417-35-6,"4,7-dihydro-2-isopropyl-1,3-dioxepin","2-isopropyl-4,7-dihydro-1,3-dioxepine",CC(C)C1OCC=CCO1,CC(C)C1OCC=CCO1,"InChI=1/C8H14O2/c1-7(2)8-9-5-3-4-6-10-8/h3-4,7-8H,5-6H2,1-2H3",C8H14O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6041,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.108,DMGDSBIHRJJUGP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.114,226-525-7,5418-51-9,5-nitropyridin-2-ol,5-nitropyridin-2-ol,Oc1ccc(cn1)[N+](=O)[O-],Oc1ccc(cn1)[N+](=O)[O-],"InChI=1/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8)",C5H4N2O3,,,,,,XKWSQIMYNVLGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.750,228-325-5,7/10/6227,"Disodium 7-anilino-3-[[4-[(2,4-dimethyl-6-sulphonatophenyl)azo]-2,5-dimethylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate","disodium 7-anilino-3-({4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2,5-dimethylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5cc(C)cc(C)c5N=Nc1cc(C)c(cc1C)N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c5cc(C)cc(C)c5N=Nc1cc(C)c(cc1C)N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S([O-])(=O)=O,"InChI=1/C32H29N5O7S2.2Na/c1-18-12-21(4)30(28(13-18)45(39,40)41)36-34-26-14-20(3)27(15-19(26)2)35-37-31-29(46(42,43)44)17-22-16-24(10-11-25(22)32(31)38)33-23-8-6-5-7-9-23;;/h5-17,33,38H,1-4H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C32H29N5O7S2.2Na,,,,,,NJPXFJXCALXJCX-UHFFFAOYSA-L,,,,,,,,,,,
100.024.531,226-983-8,5585-73-9,"(±)-[10,11-dihydro-ß-methyl-5H-dibenzo[a,d]cycloheptene-5-propyl]di(methyl)ammonium chloride","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-N,N,2-trimethylpropan-1-amine",CC(CC1c2ccccc2CCc3ccccc13)CN(C)C,CC(CC1c2ccccc2CCc3ccccc13)CN(C)C,"InChI=1/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3",C21H27N.ClH,,,,,,ALELTFCQZDXAMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.534,226-986-4,5586-88-9,1-(p-chlorophenyl)acetone,1-(4-chlorophenyl)acetone,CC(=O)Cc1ccc(Cl)cc1,CC(=O)Cc1ccc(Cl)cc1,"InChI=1/C9H9ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3",C9H9ClO,,,,,,WEJRYKSUUFKMBC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.539,226-992-7,5587-89-3,"3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid","3-{[(dimethylamino)methylene]amino}-3-(2,4,6-triiodophenyl)propanoic acid",Ic1cc(I)cc(I)c1C(N=CN(C)C)CC(O)=O,Ic1cc(I)cc(I)c1C(N=CN(C)C)CC(O)=O,"InChI=1/C12H13I3N2O2/c1-17(2)6-16-10(5-11(18)19)12-8(14)3-7(13)4-9(12)15/h3-4,6,10H,5H2,1-2H3,(H,18,19)",C12H13I3N2O2,,,,,,NSDNOKDOEOIMLH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.730,228-303-5,6222-35-1,Cyclohexyl propionate,cyclohexyl propionate,CCC(=O)OC1CCCCC1,CCC(=O)OC1CCCCC1,"InChI=1/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3",C9H16O2,,,,,,MAMMVUWCKMOLSG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.731,228-304-0,6222-55-5,Sodium 4-hydroxy-5-[(2-methoxy-4-nitrophenyl)azo]-6-(phenylamino)naphthalene-2-sulphonate,sodium 6-anilino-4-hydroxy-5-[(2-methoxy-4-nitrophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].COc4cc(ccc4N=Nc2c3c(O)cc(cc3ccc2Nc1ccccc1)S([O-])(=O)=O)[N+]([O-])=O,[Na+].COc4cc(ccc4N=Nc2c3c(O)cc(cc3ccc2Nc1ccccc1)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C23H18N4O7S.Na/c1-34-21-12-16(27(29)30)8-10-18(21)25-26-23-19(24-15-5-3-2-4-6-15)9-7-14-11-17(35(31,32)33)13-20(28)22(14)23;/h2-13,24,28H,1H3,(H,31,32,33);/q;+1/p-1",C23H18N4O7S.Na,,,,,,MTSYJFXRUHYXME-UHFFFAOYSA-M,,,,,,,,,,,
100.025.733,228-306-1,6222-60-2,"Disodium 2'-[4-[[1-hydroxy-7-(phenylamino)-3-sulphonato-2-naphthyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate","disodium 2'-{4-[(7-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]phenyl}-6-methyl-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(Nc1ccccc1)cc2c(O)c8N=Nc3ccc(cc3)c4nc5ccc(cc5s4)c6nc7ccc(C)c(c7s6)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(Nc1ccccc1)cc2c(O)c8N=Nc3ccc(cc3)c4nc5ccc(cc5s4)c6nc7ccc(C)c(c7s6)S([O-])(=O)=O,"InChI=1/C37H25N5O7S4.2Na/c1-20-7-15-29-34(35(20)53(47,48)49)51-37(40-29)23-11-16-28-30(17-23)50-36(39-28)21-8-12-25(13-9-21)41-42-32-31(52(44,45)46)18-22-10-14-26(19-27(22)33(32)43)38-24-5-3-2-4-6-24;;/h2-19,38,43H,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C37H25N5O7S4.2Na,,,,,,BXXXGQSNYKDLCV-UHFFFAOYSA-L,,,,,,,,,,,
100.025.738,228-311-9,6223-83-2,9-oxofluorene-4-carboxylic acid,9-oxo-9H-fluorene-4-carboxylic acid,OC(=O)c1cccc2C(=O)c3ccccc3c12,OC(=O)c1cccc2C(=O)c3ccccc3c12,"InChI=1/C14H8O3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7H,(H,16,17)",C14H8O3,,,,,,AFQYQSWTVCNJQT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.739,228-312-4,6224-63-1,Tris(3-methylphenyl)phosphine,tris(3-methylphenyl)phosphine,Cc1cccc(c1)P(c2cccc(C)c2)c3cccc(C)c3,Cc1cccc(c1)P(c2cccc(C)c2)c3cccc(C)c3,"InChI=1/C21H21P/c1-16-7-4-10-19(13-16)22(20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3",C21H21P,,,,,,LFNXCUNDYSYVJY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.740,228-314-5,6224-91-5,1-(trimethylsilyl)prop-1-yne,trimethyl(prop-1-yn-1-yl)silane,CC#C[Si](C)(C)C,CC#C[Si](C)(C)C,"InChI=1/C6H12Si/c1-5-6-7(2,3)4/h1-4H3",C6H12Si,,,,,,DCGLONGLPGISNX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.744,228-318-7,6226-78-4,"Disodium 3-hydroxy-4-(4-phenylazo)phenylazo)naphthalene-2,7-disulphonate","disodium 3-hydroxy-4-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-2,7-disulfonate",Oc1c(N=Nc2ccc(cc2)N=Nc3ccccc3)c4ccc(cc4cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na],Oc1c(N=Nc2ccc(cc2)N=Nc3ccccc3)c4ccc(cc4cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C22H16N4O7S2.2Na/c27-22-20(35(31,32)33)13-14-12-18(34(28,29)30)10-11-19(14)21(22)26-25-17-8-6-16(7-9-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/rC22H14N4Na2O7S2/c27-34-36(30,31)18-10-11-19-14(12-18)13-20(37(32,33)35-28)22(29)21(19)26-25-17-8-6-16(7-9-17)24-23-15-4-2-1-3-5-15/h1-13,29H",C22H16N4O7S2.2Na,,,,,,YDGHROMBRLEXLZ-UHFFFAOYSA-L,,,,,,,,,,,
100.027.375,230-112-7,2/01/6948,N-(1-phenylethyl)formamide,N-(1-phenylethyl)formamide,CC(NC=O)c1ccccc1,CC(NC=O)c1ccccc1,"InChI=1/C9H11NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,10,11)",C9H11NO,,,,,,CDHCCWRMWKZBGE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.377,230-114-8,6948-34-1,"2,3-dihydro-6-methyl-4H-1-benzothiopyran-4-one","6-methyl-2,3-dihydro-4H-thiochromen-4-one",Cc1ccc2SCCC(=O)c2c1,Cc1ccc2SCCC(=O)c2c1,"InChI=1/C10H10OS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3",C10H10OS,,,,,,BYWVVMGBFKFYMY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.383,230-121-6,6950-84-1,1-naphthylurea,1-(1-naphthyl)urea,NC(=O)Nc1cccc2ccccc12,NC(=O)Nc1cccc2ccccc12,"InChI=1/C11H10N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)",C11H10N2O,,,,,,FVSUYFWWFUVGRG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.385,230-123-7,6950-92-1,2-hydroxyethylmesitylene,2-mesitylethanol,Cc1cc(C)c(CCO)c(C)c1,Cc1cc(C)c(CCO)c(C)c1,"InChI=1/C11H16O/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7,12H,4-5H2,1-3H3",C11H16O,,,,,,FQZPTDPHVFTOSY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.908,225-199-3,4711-67-5,N-(2-ethoxyphenyl)naphthalene-2-carboxamide,N-(2-ethoxyphenyl)-2-naphthamide,CCOc1ccccc1NC(=O)c2ccc3ccccc3c2,CCOc1ccccc1NC(=O)c2ccc3ccccc3c2,"InChI=1/C19H17NO2/c1-2-22-18-10-6-5-9-17(18)20-19(21)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3,(H,20,21)",C19H17NO2,,,,,,NYJJPJOPGCYXIF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.914,225-205-4,4715-10-0,"N,N'-(6,13-dichloro-2,9-dimethoxytriphenodioxazine-3,10-diyl)bispropionamide","N,N'-(6,13-dichloro-2,9-dimethoxy[1,4]benzoxazino[2,3-b]phenoxazine-3,10-diyl)dipropanamide",CCC(=O)Nc1cc2OC3=C(Cl)C4=Nc5cc(OC)c(NC(=O)CC)cc5OC4=C(Cl)C3=Nc2cc1OC,CCC(=O)Nc1cc2OC3=C(Cl)C4=Nc5cc(OC)c(NC(=O)CC)cc5OC4=C(Cl)C3=Nc2cc1OC,"InChI=1/C26H22Cl2N4O6/c1-5-19(33)29-11-9-17-13(7-15(11)35-3)31-23-22(28)26-24(21(27)25(23)37-17)32-14-8-16(36-4)12(10-18(14)38-26)30-20(34)6-2/h7-10H,5-6H2,1-4H3,(H,29,33)(H,30,34)",C26H22Cl2N4O6,,,,,,YRCHEZBYBWLVSS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.917,225-209-6,4719-75-9,"Tetrasodium (E)-4,4'-(1,2-diethylethylene)diphenyl bis(phosphate)","tetrasodium hexane-3,4-diyldi-4,1-phenylene bis(phosphate)",[Na+].[Na+].[Na+].[Na+].CCC(C(CC)c1ccc(OP(=O)([O-])[O-])cc1)c2ccc(OP(=O)([O-])[O-])cc2,[Na+].[Na+].[Na+].[Na+].CCC(C(CC)c1ccc(OP(=O)([O-])[O-])cc1)c2ccc(OP(=O)([O-])[O-])cc2,"InChI=1/C18H24O8P2.4Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;;;/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4",C18H22O8P2.4Na,,,,,,DNCWQZVLWAEATB-UHFFFAOYSA-J,,,,,,,,,,,
100.022.920,225-212-2,4721-69-1,Oxabolone,"4,17-dihydroxyestr-4-en-3-one",C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O,"InChI=1/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3",C18H26O3,,,,,,GXHBCWCMYVTJOW-YGRHGMIBSA-N,,,,,,,,,,,
100.022.925,225-218-5,4724-48-5,Octylphosphonic acid,octylphosphonic acid,CCCCCCCCP(=O)(O)O,CCCCCCCCP(=O)(O)O,"InChI=1/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)",C8H19O3P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14433,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.925,NJGCRMAPOWGWMW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.926,225-219-0,4726-14-1,Nitralin,"4-(methylsulfonyl)-2,6-dinitro-N,N-dipropylaniline",CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-],CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-],"InChI=1/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3",C13H19N3O6S,,,,,,UMKANAFDOQQUKE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.929,225-222-7,4727-45-1,"2,13-dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide","[(1,4-dioxobutane-1,4-diyl)bis(oxyethane-2,1-diyl)]bis(dimethylsulfonium) diiodide",[I-].[I-].C[S+](C)CCOC(=O)CCC(=O)OCC[S+](C)C,[I-].[I-].C[S+](C)CCOC(=O)CCC(=O)OCC[S+](C)C,"InChI=1/C12H24O4S2.2HI/c1-17(2)9-7-15-11(13)5-6-12(14)16-8-10-18(3)4;;/h5-10H2,1-4H3;2*1H/q+2;;/p-2",C12H24O4S2.2I,,,,,,HJQTYMDWVQMHLX-UHFFFAOYSA-L,,,,,,,,,,,
100.013.702,215-072-0,1295-35-8,"Bis(1,5-cyclooctadiene)nickel",-,[Ni].C1C[C][C]CC[C][C]1.C2C[C][C]CC[C][C]2,[Ni].C1C[C][C]CC[C][C]1.C2C[C][C]CC[C][C]2,"InChI=1/2C8H8.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H2;/q;;+2",C16H24Ni,,,,,,AYHVBQBQROAZHP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.711,215-082-5,1300-32-9,Furoyl chloride,2-furoyl chloride,ClC(=O)c1occc1,ClC(=O)c1occc1,InChI=1/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H,C5H3ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17905,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.711,OFTKFKYVSBNYEC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.714,215-085-1,1300-41-0,Calcium bis(hydroxybenzenesulphonate),calcium bis(2-hydroxybenzenesulfonate),[Ca+2].Oc1ccccc1S(=O)(=O)[O-].Oc2ccccc2S(=O)(=O)[O-],[Ca+2].Oc1ccccc1S(=O)(=O)[O-].Oc2ccccc2S(=O)(=O)[O-],"InChI=1/2C6H6O4S.Ca/c2*7-5-3-1-2-4-6(5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2",C6H6O4S.1/2Ca,,,,,,TUUXRMVITABOSV-UHFFFAOYSA-L,,,,,,,,,,,
100.013.721,215-093-5,1300-92-1,Barium anilinobenzenesulphonate,barium bis(2-anilinobenzenesulfonate),[Ba+2].[O-]S(=O)(=O)c1ccccc1Nc2ccccc2.[O-]S(=O)(=O)c3ccccc3Nc4ccccc4,[Ba+2].[O-]S(=O)(=O)c1ccccc1Nc2ccccc2.[O-]S(=O)(=O)c3ccccc3Nc4ccccc4,"InChI=1/2C12H11NO3S.Ba/c2*14-17(15,16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;/h2*1-9,13H,(H,14,15,16);/q;;+2/p-2",C12H11NO3S.1/2Ba,,,,,,JWTHKGUPPCYKNI-UHFFFAOYSA-L,,,,,,,,,,,
100.013.722,215-094-0,1300-94-3,6-pentyl-m-cresol,5-methyl-2-pentylphenol,CCCCCc1ccc(C)cc1O,CCCCCc1ccc(C)cc1O,"InChI=1/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3",C12H18O,,,,,,CKGWFZQGEQJZIL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.724,215-096-1,1301-35-5,Calcium bis(dibromodocosanoate),"calcium bis(2,2-dibromodocosanoate)",[Ca+2].CCCCCCCCCCCCCCCCCCCCC(Br)(Br)C(=O)[O-].CCCCCCCCCCCCCCCCCCCCC(Br)(Br)C(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCCCC(Br)(Br)C(=O)[O-].CCCCCCCCCCCCCCCCCCCCC(Br)(Br)C(=O)[O-],"InChI=1/2C22H42Br2O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23,24)21(25)26;/h2*2-20H2,1H3,(H,25,26);/q;;+2/p-2",C22H42Br2O2.1/2Ca,,,,,,OHOHMMWDYIDPKB-UHFFFAOYSA-L,,,,,,,,,,,
100.025.471,228-018-6,6079-97-6,2-ethylhexyl acetoacetate,2-ethylhexyl 3-oxobutanoate,CCCCC(CC)COC(=O)CC(=O)C,CCCCC(CC)COC(=O)CC(=O)C,"InChI=1/C12H22O3/c1-4-6-7-11(5-2)9-15-12(14)8-10(3)13/h11H,4-9H2,1-3H3",C12H22O3,,,,,,QAUIAXORENGBSN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.475,228-022-8,6087-58-7,4-(diethylamino)-2-methylbenzenediazonium trichlorozincate,4-(diethylamino)-2-methylbenzenediazonium trichlorozincate(1-),CCN(CC)c1ccc([N+]#N)c(C)c1.Cl[Zn-](Cl)Cl,CCN(CC)c1ccc([N+]#N)c(C)c1.Cl[Zn-](Cl)Cl,"InChI=1/C11H16N3.3ClH.Zn/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;;;;/h6-8H,4-5H2,1-3H3;3*1H;/q+1;;;;+2/p-3/rC11H16N3.Cl3Zn/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;1-4(2)3/h6-8H,4-5H2,1-3H3;/q+1;-1",C11H16N3.Cl3Zn,,,,,,GBJMUGMEFLXBSO-UHFFFAOYSA-K,,,,,,,,,,,
100.026.085,228-693-7,6326-83-6,"3,5-dithia-4-thioxo-1,7-heptanedioic acid","2,2'-(carbonothioyldisulfanediyl)diacetic acid",OC(=O)CSC(=S)SCC(=O)O,OC(=O)CSC(=S)SCC(=O)O,"InChI=1/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)",C5H6O4S3,,,,,,GQECANUIPBFPLA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.089,228-697-9,4/01/6328,Ethyl m-aminocinnamate,ethyl 3-(3-aminophenyl)acrylate,CCOC(=O)\\C=C\\c1cccc(N)c1,CCOC(=O)\C=C\c1cccc(N)c1,"InChI=1/C11H13NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2,12H2,1H3",C11H13NO2,,,,,,UEUURYZTMLPUEE-VOTSOKGWSA-N,,,,,,,,,,,
100.026.096,228-706-6,6330-67-2,"Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl cinnamate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 3-phenylacrylate",CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)\\C=C\\c3ccccc3,CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)\C=C\c3ccccc3,"InChI=1/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3",C19H24O2,,,,,,ACTRLDZRLKIJEH-FXOMATFNSA-N,,,,,,,,,,,
100.026.097,228-707-1,6331-68-6,"2-amino-N,N-dimethyltoluene-4-sulphonamide","3-amino-N,N,4-trimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(C)c(N)c1,CN(C)S(=O)(=O)c1ccc(C)c(N)c1,"InChI=1/C9H14N2O2S/c1-7-4-5-8(6-9(7)10)14(12,13)11(2)3/h4-6H,10H2,1-3H3",C9H14N2O2S,,,,,,PNFOLOVDVLPCBX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.107,228-718-1,6336-51-2,"5-mercapto-3-phenyl-1,3,4-thiadiazole-2(3H)-thione, potassium salt",-,[K+].SC1=NN(C(=S)S1)c2ccccc2,[K+].SC1=NN(C(=S)S1)c2ccccc2,"InChI=1/C8H6N2S3.K/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6;/h1-5H,(H,9,11);/q;+1",C8H6N2S3.K,,,,,,QSKDCVGFAPHSHX-UHFFFAOYSA-N,,,,,,,,,,,
100.029.187,232-105-4,7786-84-7,"Magnesium bis[3,7,12-trioxo-5ß-cholan-24-oate]","magnesium bis(3,7,12-trioxocholan-24-oate)",[Mg+2].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O.C[C@H](CCC(=O)[O-])[C@H]5CC[C@H]6[C@H]7[C@H](CC(=O)[C@]56C)[C@@]8(C)CCC(=O)C[C@H]8CC7=O,[Mg+2].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O.C[C@H](CCC(=O)[O-])[C@H]5CC[C@H]6[C@H]7[C@H](CC(=O)[C@]56C)[C@@]8(C)CCC(=O)C[C@H]8CC7=O,"InChI=1/2C24H34O5.Mg/c2*1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h2*13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;;+2/p-2",C24H34O5.1/2Mg,,,,,,JKWGGYRLJAHBMT-IOTIMKOBSA-L,,,,,,,,,,,
100.029.188,232-107-5,7787-20-4,"1,3,3-trimethylnorbornan-2-one","1,3,3-trimethylbicyclo[2.2.1]heptan-2-one",CC12CCC(C1)C(C)(C)C2=O,CC12CCC(C1)C(C)(C)C2=O,"InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",C10H16O,,,,,,LHXDLQBQYFFVNW-UHFFFAOYSA-N,,,,,,,,,,,
100.029.203,232-123-2,7787-60-2,Bismuth trichloride,bismuth(3+) trichloride,[Cl-].[Cl-].[Cl-].[BiH3+3],[Cl-].[Cl-].[Cl-].[BiH3+3],InChI=1/Bi.3ClH.3H/h;3*1H;;;/q+3;;;;;;/p-3/rBiH3.3ClH/h1H3;3*1H/q+3;;;/p-3,BiCl3,,,,,,QJWNFCZARGUHFM-UHFFFAOYSA-K,,,,,,,,,,,
100.029.204,232-124-8,7787-61-3,Bismuth trifluoride,bismuth(3+) trifluoride,[F-].[F-].[F-].[BiH3+3],[F-].[F-].[F-].[BiH3+3],InChI=1/Bi.3FH.3H/h;3*1H;;;/q+3;;;;;;/p-3/rBiH3.3FH/h1H3;3*1H/q+3;;;/p-3,BiF3,,,,,,GRQDKISMHISLGB-UHFFFAOYSA-K,,,,,,,,,,,
100.029.212,232-133-7,7787-82-8,Trichloro(1-chloroethyl)silane,trichloro(1-chloroethyl)silane,CC(Cl)[Si](Cl)(Cl)Cl,CC(Cl)[Si](Cl)(Cl)Cl,"InChI=1/C2H4Cl4Si/c1-2(3)7(4,5)6/h2H,1H3",C2H4Cl4Si,,,,,,CAPIMQICDAJXSB-UHFFFAOYSA-N,,,,,,,,,,,
100.029.213,232-134-2,7787-85-1,Dichloro(2-chloroethyl)methylsilane,dichloro(2-chloroethyl)methylsilane,C[Si](Cl)(Cl)CCCl,C[Si](Cl)(Cl)CCCl,"InChI=1/C3H7Cl3Si/c1-7(5,6)3-2-4/h2-3H2,1H3",C3H7Cl3Si,,,,,,DBWSTBGNSJEPFT-UHFFFAOYSA-N,,,,,,,,,,,
100.029.215,232-136-3,7787-93-1,Dichloro(3-chloropropyl)methylsilane,dichloro(3-chloropropyl)methylsilane,C[Si](Cl)(Cl)CCCCl,C[Si](Cl)(Cl)CCCCl,"InChI=1/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3",C4H9Cl3Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11206,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.215,UCJHMXXKIKBHQP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.227,232-149-4,7789-21-1,Fluorosulphuric acid,fluorosulfuric acid,OS(=O)(=O)F,OS(=O)(=O)F,"InChI=1/FHO3S/c1-5(2,3)4/h(H,2,3,4)",FHO3S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1784,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.227,UQSQSQZYBQSBJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.232,232-155-7,7789-28-8,Iron difluoride,iron(2+) difluoride,F[Fe]F,F[Fe]F,InChI=1/2FH.Fe/h2*1H;/q;;+2/p-2,F2Fe,,,,,,FZGIHSNZYGFUGM-UHFFFAOYSA-L,,,,,,,,,,,
100.029.242,232-166-7,7789-43-7,Cobalt dibromide,cobalt(2+) dibromide,[Co+2].[Br-].[Br-],[Co+2].[Br-].[Br-],InChI=1/2BrH.Co/h2*1H;/q;;+2/p-2,Br2Co,,,,,,BZRRQSJJPUGBAA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.678,228-245-0,6192-97-8,Levopropylhexedrine,1-cyclohexyl-N-methylpropan-2-amine,CN[C@@H](C)CC1CCCCC1,CN[C@@H](C)CC1CCCCC1,"InChI=1/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",C10H21N,,,,,,JCRIVQIOJSSCQD-VIFPVBQESA-N,,,,,,,,,,,
100.025.683,228-250-8,6197-30-4,Octocrilene,"2-ethylhexyl 2-cyano-3,3-diphenylacrylate",CCCCC(CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,CCCCC(CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,"InChI=1/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3",C24H27NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14858,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.683,FMJSMJQBSVNSBF-UHFFFAOYSA-N,Positive,SM814103,[M+H]+,HCD35,250.0863:232.0757:204.0808,CASMI_2016,,,,,
100.027.693,230-462-0,7148-03-0,"4'-methyl[1,1'-biphenyl]-2-carboxylic acid",4'-methylbiphenyl-2-carboxylic acid,Cc1ccc(cc1)c2ccccc2C(=O)O,Cc1ccc(cc1)c2ccccc2C(=O)O,"InChI=1/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)",C14H12O2,,,,,,ZSTUEICKYWFYIC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.694,230-463-6,4/07/7148,N-(cyclopent-1-ene-1-yl)pyrrolidine,1-cyclopent-1-en-1-ylpyrrolidine,C1CCN(C1)C2=CCCC2,C1CCN(C1)C2=CCCC2,"InChI=1/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2",C9H15N,,,,,,KOFSFYBXUYHNJL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.706,230-476-7,7149-39-5,5-methyl-5-phenylpiperidin-2-one,5-methyl-5-phenylpiperidin-2-one,CC1(CCC(=O)NC1)c2ccccc2,CC1(CCC(=O)NC1)c2ccccc2,"InChI=1/C12H15NO/c1-12(8-7-11(14)13-9-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)",C12H15NO,,,,,,VUKGJPNDNWZTOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.713,230-484-0,1/12/7150,"2,2-diphenylcyclopropanecarboxylic acid","2,2-diphenylcyclopropanecarboxylic acid",OC(=O)C1CC1(c2ccccc2)c3ccccc3,OC(=O)C1CC1(c2ccccc2)c3ccccc3,"InChI=1/C16H14O2/c17-15(18)14-11-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)",C16H14O2,,,,,,YITOQLBHYDWJBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.724,230-496-6,7152-40-1,5-amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile,5-amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile,Nc1c(C#N)c(CC#N)nn1c2ccccc2,Nc1c(C#N)c(CC#N)nn1c2ccccc2,"InChI=1/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2",C12H9N5,,,,,,GUHSDYKJSKLWJF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.728,230-500-6,7153-22-2,Ethyl 4-cyanobenzoate,ethyl 4-cyanobenzoate,CCOC(=O)c1ccc(cc1)C#N,CCOC(=O)c1ccc(cc1)C#N,"InChI=1/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3",C10H9NO2,,,,,,JLSSWDFCYXSLQX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.730,230-502-7,7154-26-9,"2,3,5,6-tetrachloro-p-xylene-a,a-diol","(2,3,5,6-tetrachloro-4-methylphenyl)methanediol",Cc1c(Cl)c(Cl)c(C(O)O)c(Cl)c1Cl,Cc1c(Cl)c(Cl)c(C(O)O)c(Cl)c1Cl,"InChI=1/C8H6Cl4O2/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h8,13-14H,1H3",C8H6Cl4O2,,,,,,DYBUPRVCKZFHEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.732,230-504-8,7154-28-1,N-(2-bromopropionyl)-DL-norvaline,N-(2-bromopropanoyl)-L-norvaline,O=C(N[C@@H](CCC)C(O)=O)C(Br)C,O=C(N[C@@H](CCC)C(O)=O)C(Br)C,"InChI=1/C8H14BrNO3/c1-3-4-6(8(12)13)10-7(11)5(2)9/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)",C8H14BrNO3,,,,,,IHAIHVWQEFQBFU-GDVGLLTNSA-N,,,,,,,,,,,
100.027.737,230-510-0,7154-83-8,N-(chloroacetyl)-DL-leucine,N-(chloroacetyl)-L-leucine,O=C(N[C@@H](CC(C)C)C(O)=O)CCl,O=C(N[C@@H](CC(C)C)C(O)=O)CCl,"InChI=1/C8H14ClNO3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)",C8H14ClNO3,,,,,,VDUNMYRYEYROFL-LURJTMIESA-N,,,,,,,,,,,
100.027.738,230-511-6,6/12/7155,Heptyl benzoate,heptyl benzoate,CCCCCCCOC(=O)c1ccccc1,CCCCCCCOC(=O)c1ccccc1,"InChI=1/C14H20O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3",C14H20O2,,,,,,UMFTYCUYCNMERS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.490,226-938-2,5566-34-7,"2,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene","2,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",ClC1=C(Cl)C2(Cl)C3CC(Cl)(Cl)CC3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3CC(Cl)(Cl)CC3C1(Cl)C2(Cl)Cl,"InChI=1/C10H6Cl8/c11-5-6(12)9(16)4-2-7(13,14)1-3(4)8(5,15)10(9,17)18/h3-4H,1-2H2",C10H6Cl8,,,,,,JBZJEPYXXVKOKF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.491,226-939-8,5567-15-7,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide]",COc4cc(NC(=O)C(N=Nc1ccc(cc1Cl)c3ccc(N=NC(C(C)=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(Cl)c3)C(C)=O)c(cc4Cl)OC,COc4cc(NC(=O)C(N=Nc1ccc(cc1Cl)c3ccc(N=NC(C(C)=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(Cl)c3)C(C)=O)c(cc4Cl)OC,"InChI=1/C36H32Cl4N6O8/c1-17(47)33(35(49)41-27-15-29(51-3)23(39)13-31(27)53-5)45-43-25-9-7-19(11-21(25)37)20-8-10-26(22(38)12-20)44-46-34(18(2)48)36(50)42-28-16-30(52-4)24(40)14-32(28)54-6/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)",C36H32Cl4N6O8,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16028,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.491,NKXPXRNUMARIMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.494,226-942-4,5570-77-4,4-chloro-N-methylpiperidine,4-chloro-1-methylpiperidine,CN1CCC(Cl)CC1,CN1CCC(Cl)CC1,"InChI=1/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3",C6H12ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18668,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.494,MYGXGCCFTPKWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.497,226-946-6,5574-80-1,Phenyl 2-acetamido-2-deoxy-ß-D-glucopyranoside,phenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2,"InChI=1/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)",C14H19NO6,,,,,,ZUJDLWWYFIZERS-DHGKCCLASA-N,,,,,,,,,,,
100.026.125,228-738-0,6342-77-4,3-(o-methoxyphenyl)propionic acid,3-(2-methoxyphenyl)propanoic acid,COc1ccccc1CCC(=O)O,COc1ccccc1CCC(=O)O,"InChI=1/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)",C10H12O3,,,,,,XSZSNLOPIWWFHS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.126,228-739-6,6343-54-0,N-benzylformamide,N-benzylformamide,O=CNCc1ccccc1,O=CNCc1ccccc1,"InChI=1/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)",C8H9NO,,,,,,IIBOGKHTXBPGEI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.386,230-124-2,6951-00-4,3-[(3-pyridylmethyl)amino]propanol,3-[(pyridin-3-ylmethyl)amino]propan-1-ol,OCCCNCc1cccnc1,OCCCNCc1cccnc1,"InChI=1/C9H14N2O/c12-6-2-5-11-8-9-3-1-4-10-7-9/h1,3-4,7,11-12H,2,5-6,8H2",C9H14N2O,,,,,,DKSQDSSMOUQQRK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.394,230-133-1,6952-94-9,4-phenylpiperidine-4-carbaldehyde,4-phenylpiperidine-4-carbaldehyde,O=CC1(CCNCC1)c2ccccc2,O=CC1(CCNCC1)c2ccccc2,"InChI=1/C12H15NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2",C12H15NO,,,,,,XCENPWBBAXQVCG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.139,226-552-4,5423-23-4,Bisguanidinium phosphate,-,NC(=N)[NH3+].NC(=N)[NH3+].[O-]P(=O)([O-])[O-],NC(=N)[NH3+].NC(=N)[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/2CH5N3.H3O4P/c2*2-1(3)4;1-5(2,3)4/h2*(H5,2,3,4);(H3,1,2,3,4)/p-1",CH5N3.1/2H3O4P,,,,,,SSHPJTCTVWVCLI-UHFFFAOYSA-M,,,,,,,,,,,
100.024.143,226-557-1,5423-96-1,"4,7-dichloro-2-methoxyacridine","4,7-dichloro-2-methoxyacridine",COc1cc(Cl)c2nc3ccc(Cl)cc3cc2c1,COc1cc(Cl)c2nc3ccc(Cl)cc3cc2c1,"InChI=1/C14H9Cl2NO/c1-18-11-6-9-4-8-5-10(15)2-3-13(8)17-14(9)12(16)7-11/h2-7H,1H3",C14H9Cl2NO,,,,,,CFBQIPAQXVYDHK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.144,226-558-7,1/01/5424,3-aminopyrazine-2-carboxylic acid,3-aminopyrazine-2-carboxylic acid,Nc1nccnc1C(=O)O,Nc1nccnc1C(=O)O,"InChI=1/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)",C5H5N3O2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5988,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.144,ZAGZIOYVEIDDJA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.147,226-561-3,5424-19-1,Phenyl 3-pyridyl ketone,phenyl(pyridin-3-yl)methanone,O=C(c1ccccc1)c2cccnc2,O=C(c1ccccc1)c2cccnc2,InChI=1/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H,C12H9NO,,,,,,RYMBAPVTUHZCNF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.159,226-574-4,5427-26-9,"2,5-dioxo-1,3-diazolidin-4-ylacetic acid","(2,5-dioxoimidazolidin-4-yl)acetic acid",OC(=O)CC1NC(=O)NC1=O,OC(=O)CC1NC(=O)NC1=O,"InChI=1/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)",C5H6N2O4,,,,,,DQQLZADYSWBCOX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.163,226-579-1,5428-37-5,2-furaldehyde furfurylenehydrazone,bis(2-furylmethylene)hydrazine,o1cccc1C=NN=Cc2occc2,o1cccc1C=NN=Cc2occc2,InChI=1/C10H8N2O2/c1-3-9(13-5-1)7-11-12-8-10-4-2-6-14-10/h1-8H,C10H8N2O2,,,,,,BLMWHISHMGJKFX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.164,226-580-7,5428-54-6,5-nitro-o-cresol,2-methyl-5-nitrophenol,Cc1ccc(cc1O)[N+](=O)[O-],Cc1ccc(cc1O)[N+](=O)[O-],"InChI=1/C7H7NO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3",C7H7NO3,,,,,,UMFDLIXUUJMPSI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.168,226-584-9,5429-85-6,Oleoylanilide,N-phenyloctadec-9-enamide,CCCCCCCCC=CCCCCCCCC(=O)Nc1ccccc1,CCCCCCCCC=CCCCCCCCC(=O)Nc1ccccc1,"InChI=1/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)",C24H39NO,,,,,,YPUOCYKJOLQYQS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.169,226-585-4,4/02/5430,"3,6-dimethyloct-6-en-3-ol","3,6-dimethyloct-6-en-3-ol",CCC(C)(O)CCC(C)=CC,CCC(C)(O)CCC(C)=CC,"InChI=1/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h5,11H,6-8H2,1-4H3",C10H20O,,,,,,AFRHFYJZKMQWQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.182,226-600-4,5434-31-1,"1,3:2,5:4,6-tri-O-methylene-D-mannitol","hexahydrobis[1,3]dioxino[5,4-d:4',5'-f][1,3]dioxepine (non-preferred name)",C1OC[C@@H]2OCO[C@@H]3COCO[C@H]3[C@@H]2O1,C1OC[C@@H]2OCO[C@@H]3COCO[C@H]3[C@@H]2O1,"InChI=1/C9H14O6/c1-6-8(14-3-10-1)9-7(13-5-12-6)2-11-4-15-9/h6-9H,1-5H2",C9H14O6,,,,,,QQQVHHWRMWBKNS-BZNPZCIMSA-N,,,,,,,,,,,
100.024.183,226-602-5,5434-57-1,Hexyl pivalate,hexyl pivalate,CCCCCCOC(=O)C(C)(C)C,CCCCCCOC(=O)C(C)(C)C,"InChI=1/C11H22O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h5-9H2,1-4H3",C11H22O2,,,,,,RQSINLZXJXXKOH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.782,230-559-8,7194-84-5,Heptatriacontane,heptatriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C37H76/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3",C37H76,,,,,,PXEZIKSRSYGOED-UHFFFAOYSA-N,,,,,,,,,,,
100.027.783,230-560-3,7194-85-6,Octatriacontane,octatriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",C38H78,,,,,,BVKCQBBZBGYNOP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.786,230-564-5,7195-43-9,"Bis(2,3-epoxypropyl) isophthalate",bis(oxiran-2-ylmethyl) isophthalate,O=C(OCC1CO1)c2cccc(c2)C(=O)OCC3CO3,O=C(OCC1CO1)c2cccc(c2)C(=O)OCC3CO3,"InChI=1/C14H14O6/c15-13(19-7-11-5-17-11)9-2-1-3-10(4-9)14(16)20-8-12-6-18-12/h1-4,11-12H,5-8H2",C14H14O6,,,,,,ZXOATMQSUNJNNG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.787,230-565-0,7195-44-0,"Bis(2,3-epoxypropyl) terephthalate",bis(oxiran-2-ylmethyl) terephthalate,O=C(OCC1CO1)c2ccc(cc2)C(=O)OCC3CO3,O=C(OCC1CO1)c2ccc(cc2)C(=O)OCC3CO3,"InChI=1/C14H14O6/c15-13(19-7-11-5-17-11)9-1-2-10(4-3-9)14(16)20-8-12-6-18-12/h1-4,11-12H,5-8H2",C14H14O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5485,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.787,NEPKLUNSRVEBIX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.792,230-570-8,7199-29-3,Cyheptamide,"10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide",NC(=O)C1c2ccccc2CCc3ccccc13,NC(=O)C1c2ccccc2CCc3ccccc13,"InChI=1/C16H15NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,17,18)",C16H15NO,,,,,,APBVLLORZMAWKI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.479,228-027-5,9/04/6089,Tetrahydro-2-(2-propynyloxy)-2H-pyran,2-(prop-2-yn-1-yloxy)tetrahydro-2H-pyran,C#CCOC1CCCCO1,C#CCOC1CCCCO1,"InChI=1/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2",C8H12O2,,,,,,HQAXHIGPGBPPFU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.499,228-049-5,3/04/6099,trans-3-methoxycinnamic acid,3-(3-methoxyphenyl)acrylic acid,COc1cccc(\\C=C\\C(=O)O)c1,COc1cccc(\C=C\C(=O)O)c1,"InChI=1/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O3,,,,,,LZPNXAULYJPXEH-AATRIKPKSA-N,,,,,,,,,,,
100.027.125,229-837-1,6776-48-3,"Benzyl N-(1-chloro-2,2,2-trifluoroethyl)carbamate","benzyl (1-chloro-2,2,2-trifluoroethyl)carbamate",FC(F)(F)C(Cl)NC(=O)OCc1ccccc1,FC(F)(F)C(Cl)NC(=O)OCc1ccccc1,"InChI=1/C10H9ClF3NO2/c11-8(10(12,13)14)15-9(16)17-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,16)",C10H9ClF3NO2,,,,,,MGDUFVWEIZNPGG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.139,229-852-3,6786-84-1,"a,a-bis[4-(dimethylamino)phenyl]-4-(ethylamino)naphthalene-1-methanol",bis[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthyl]methanol,CCNc1ccc(c2ccccc12)C(O)(c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C,CCNc1ccc(c2ccccc12)C(O)(c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C,"InChI=1/C29H33N3O/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(33,21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5/h7-20,30,33H,6H2,1-5H3",C29H33N3O,,,,,,POGFPZCWAIFSIW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.644,216-108-8,1499-33-8,Methyltriphenylarsonium iodide,methyl(triphenyl)arsonium iodide,[I-].C[As+](c1ccccc1)(c2ccccc2)c3ccccc3,[I-].C[As+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H18As.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1",C19H18As.I,,,,,,GHLKOMSNOFJXDT-UHFFFAOYSA-M,,,,,,,,,,,
100.014.645,216-109-3,1499-46-3,Methyl L-histidinate,methyl L-histidinate,COC(=O)[C@@H](N)Cc1c[nH]cn1,COC(=O)[C@@H](N)Cc1c[nH]cn1,"InChI=1/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)",C7H11N3O2,,,,,,BXRMEWOQUXOLDH-LURJTMIESA-N,,,,,,,,,,,
100.014.649,216-114-0,1501-06-0,Diethyl 2-acetylglutarate,diethyl 2-acetylpentanedioate,CCOC(=O)CCC(C(=O)C)C(=O)OCC,CCOC(=O)CCC(C(=O)C)C(=O)OCC,"InChI=1/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3",C11H18O5,,,,,,NNOGMCQLKMLNPL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.650,216-115-6,1501-26-4,Methyl 4-chloroformylbutyrate,methyl 5-chloro-5-oxopentanoate,COC(=O)CCCC(=O)Cl,COC(=O)CCCC(=O)Cl,"InChI=1/C6H9ClO3/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3",C6H9ClO3,,,,,,JCAZSWWHFJVFPP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.651,216-116-1,1501-27-5,Methyl hydrogen glutarate,5-methoxy-5-oxopentanoic acid,COC(=O)CCCC(=O)O,COC(=O)CCCC(=O)O,"InChI=1/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)",C6H10O4,,,,,,IBMRTYCHDPMBFN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.656,216-121-9,1502-24-5,"2,3-dimethylcyclohexan-1-ol","2,3-dimethylcyclohexanol",CC1CCCC(O)C1C,CC1CCCC(O)C1C,"InChI=1/C8H16O/c1-6-4-3-5-8(9)7(6)2/h6-9H,3-5H2,1-2H3",C8H16O,,,,,,KMVFQKNNDPKWOX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.660,216-126-6,1503-49-7,4-benzoylbenzonitrile,4-benzoylbenzonitrile,O=C(c1ccccc1)c2ccc(cc2)C#N,O=C(c1ccccc1)c2ccc(cc2)C#N,InChI=1/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,C14H9NO,,,,,,YSZWJJANSNFQMM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.664,216-130-8,1504-69-4,Ethyl p-ethoxycinnamate,ethyl 3-(4-ethoxyphenyl)acrylate,CCOC(=O)\\C=C\\c1ccc(OCC)cc1,CCOC(=O)\C=C\c1ccc(OCC)cc1,"InChI=1/C13H16O3/c1-3-15-12-8-5-11(6-9-12)7-10-13(14)16-4-2/h5-10H,3-4H2,1-2H3",C13H16O3,,,,,,XFRWZVXVZIQXFI-JXMROGBWSA-N,,,,,,,,,,,
100.014.668,216-135-5,1506-15-6,"1,2,3,4,5,6-hexachloro-7-methoxynaphthalene","1,2,3,4,5,6-hexachloro-7-methoxynaphthalene",COc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl,COc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl,"InChI=1/C11H4Cl6O/c1-18-4-2-3-5(8(14)7(4)13)9(15)11(17)10(16)6(3)12/h2H,1H3",C11H4Cl6O,,,,,,NGFRBDQAKZEZJX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.673,216-140-2,1508-75-4,Tropicamide,N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide,CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2,CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2,"InChI=1/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3",C17H20N2O2,,,,,,BGDKAVGWHJFAGW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.678,216-146-5,1510-16-3,Dodecane-1-sulphonic acid,dodecane-1-sulfonic acid,CCCCCCCCCCCCS(=O)(=O)O,CCCCCCCCCCCCS(=O)(=O)O,"InChI=1/C12H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H,13,14,15)",C12H26O3S,,,,,,LDMOEFOXLIZJOW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.681,216-149-1,1511-62-2,Bromodifluoromethane,bromo(difluoro)methane,FC(F)Br,FC(F)Br,InChI=1/CHBrF2/c2-1(3)4/h1H,CHBrF2,,,,,,GRCDJFHYVYUNHM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.684,228-251-3,6198-58-9,Methyl (E)-octadec-11-enoate,methyl octadec-11-enoate,CCCCCC\\C=C\\CCCCCCCCCC(=O)OC,CCCCCC\C=C\CCCCCCCCCC(=O)OC,"InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3",C19H36O2,,,,,,PVVODBCDJBGMJL-CMDGGOBGSA-N,,,,,,,,,,,
100.025.688,228-256-0,6201-65-6,2-chlororesorcinol,"2-chlorobenzene-1,3-diol",Oc1cccc(O)c1Cl,Oc1cccc(O)c1Cl,"InChI=1/C6H5ClO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H",C6H5ClO2,,,,,,SWZVJOLLQTWFCW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.690,228-258-1,6201-75-8,"5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl]sulphonyl]salicylic acid","2-hydroxy-5-{[2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl}benzoic acid",CC1=NN(C(=O)C1)c2cc(ccc2S(=O)(=O)c3ccc(O)c(c3)C(=O)O)S(=O)(=O)O,CC1=NN(C(=O)C1)c2cc(ccc2S(=O)(=O)c3ccc(O)c(c3)C(=O)O)S(=O)(=O)O,"InChI=1/C17H14N2O9S2/c1-9-6-16(21)19(18-9)13-8-11(30(26,27)28)3-5-15(13)29(24,25)10-2-4-14(20)12(7-10)17(22)23/h2-5,7-8,20H,6H2,1H3,(H,22,23)(H,26,27,28)",C17H14N2O9S2,,,,,,SQFSKKWFISMBPH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.697,228-266-5,6202-94-4,trans-2-methylcyclopropanecarboxylic acid,2-methylcyclopropanecarboxylic acid,CC1CC1C(=O)O,CC1CC1C(=O)O,"InChI=1/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)",C5H8O2,,,,,,AYEGPMGNMOIHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.698,228-267-0,6203-18-5,4-dimethylaminocinnamaldehyde,3-[4-(dimethylamino)phenyl]acrylaldehyde,CN(C)c1ccc(\\C=C\\C=O)cc1,CN(C)c1ccc(\C=C\C=O)cc1,"InChI=1/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3",C11H13NO,,,,,,RUKJCCIJLIMGEP-ONEGZZNKSA-N,,,,,,,,,,,
100.025.700,228-269-1,6204-28-0,[[(2-ethylhexyl)imino]bis(methylene)]bisphosphonic acid,{[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonic acid),CCCCC(CC)CN(CP(=O)(O)O)CP(=O)(O)O,CCCCC(CC)CN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C10H25NO6P2/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17)",C10H25NO6P2,,,,,,VCBDDOWPXBJZFB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.707,228-277-5,6211-16-1,L-ornithine dihydrochloride,L-ornithine dihydrochloride,Cl.Cl.NCCC[C@H](N)C(=O)O,Cl.Cl.NCCC[C@H](N)C(=O)O,"InChI=1/C5H12N2O2.2ClH/c6-3-1-2-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9);2*1H",C5H12N2O2.2ClH,,,,,,HGBAVEGDXFHRQP-FHNDMYTFSA-N,,,,,,,,,,,
100.025.710,228-280-1,6213-19-0,"2-chloro-N,N-dimethyl-4-nitroaniline","2-chloro-N,N-dimethyl-4-nitroaniline",CN(C)c1ccc(cc1Cl)[N+](=O)[O-],CN(C)c1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C8H9ClN2O2/c1-10(2)8-4-3-6(11(12)13)5-7(8)9/h3-5H,1-2H3",C8H9ClN2O2,,,,,,OZKAWTHGBGLZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.712,228-282-2,6214-20-6,Methyl 4-nitrobenzenesulphonate,methyl 4-nitrobenzenesulfonate,COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",C7H7NO5S,,,,,,RMNJNEUWTBBZPT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.713,228-283-8,6214-44-4,4-ethoxybenzyl alcohol,(4-ethoxyphenyl)methanol,CCOc1ccc(CO)cc1,CCOc1ccc(CO)cc1,"InChI=1/C9H12O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3",C9H12O2,,,,,,UKFLLQIRBABMKF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.714,228-284-3,6214-45-5,4-butoxybenzyl alcohol,(4-butoxyphenyl)methanol,CCCCOc1ccc(CO)cc1,CCCCOc1ccc(CO)cc1,"InChI=1/C11H16O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,12H,2-3,8-9H2,1H3",C11H16O2,,,,,,MGKNBDBZIKPUFM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.717,228-288-5,6217-68-1,Potassium 4-nitrophenyl sulphate,potassium 4-nitrophenyl sulfate,[K+].[O-][N+](=O)c1ccc(OS(=O)(=O)[O-])cc1,[K+].[O-][N+](=O)c1ccc(OS(=O)(=O)[O-])cc1,"InChI=1/C6H5NO6S.K/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1",C6H5NO6S.K,,,,,,BITVAZYUWRLLCN-UHFFFAOYSA-M,,,,,,,,,,,
100.025.721,228-292-7,6219-73-4,"4-amino-N,N-dimethylaniline sulphate","N,N-dimethylbenzene-1,4-diamine sulfate",CN(C)c1ccc(N)cc1.OS(=O)(=O)O,CN(C)c1ccc(N)cc1.OS(=O)(=O)O,"InChI=1/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)",C8H12N2.xH2O4S,,,,,,GLUKPDKNLKRLHX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.338,233-386-6,10138-52-0,Gadolinium trichloride,gadolinium trichloride,[Cl-].[Cl-].[Cl-].[Gd+3],[Cl-].[Cl-].[Cl-].[Gd+3],InChI=1/3ClH.Gd/h3*1H;/q;;;+3/p-3,Cl3Gd,,,,,,MEANOSLIBWSCIT-UHFFFAOYSA-K,,,,,,,,,,,
100.030.345,233-393-4,10139-04-5,Phenyl 2-acetamido-2-deoxy-a-D-glucopyranoside,phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Oc2ccccc2,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Oc2ccccc2,"InChI=1/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)",C14H19NO6,,,,,,ZUJDLWWYFIZERS-KSTCHIGDSA-N,,,,,,,,,,,
100.030.347,233-396-0,10139-47-6,Zinc iodide,zinc diiodide,[Zn+2].[I-].[I-],[Zn+2].[I-].[I-],InChI=1/2HI.Zn/h2*1H;/q;;+2/p-2,I2Zn,,,,,,UAYWVJHJZHQCIE-UHFFFAOYSA-L,,,,,,,,,,,
100.030.348,233-397-6,10139-58-9,Rhodium trinitrate,-,[Rh+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Rh+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Rh/c3*2-1(3)4;/q3*-1;+2,HNO3.1/3Rh,,,,,,QKOVLKKPELESTL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.351,233-400-0,10140-96-2,Ethyl 6-chlorohexanoate,ethyl 6-chlorohexanoate,CCOC(=O)CCCCCCl,CCOC(=O)CCCCCCl,"InChI=1/C8H15ClO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3",C8H15ClO2,,,,,,QYZFPLZQMZFBAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.127,228-740-1,6343-72-2,6-bromo-2-naphthyl acetate,6-bromo-2-naphthyl acetate,CC(=O)Oc1ccc2cc(Br)ccc2c1,CC(=O)Oc1ccc2cc(Br)ccc2c1,"InChI=1/C12H9BrO2/c1-8(14)15-12-5-3-9-6-11(13)4-2-10(9)7-12/h2-7H,1H3",C12H9BrO2,,,,,,IXQUUGRFWVXBEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.128,228-741-7,6343-73-3,2-naphthyl laurate,2-naphthyl laurate,CCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1,CCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1,"InChI=1/C22H30O2/c1-2-3-4-5-6-7-8-9-10-15-22(23)24-21-17-16-19-13-11-12-14-20(19)18-21/h11-14,16-18H,2-10,15H2,1H3",C22H30O2,,,,,,CIGGUBXZFFSTTA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.129,228-742-2,6343-74-4,2-naphthyl stearate,2-naphthyl stearate,CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1,CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1,"InChI=1/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(29)30-27-23-22-25-19-17-18-20-26(25)24-27/h17-20,22-24H,2-16,21H2,1H3",C28H42O2,,,,,,JIMMXKUAHBEQPE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.132,228-745-9,6343-93-7,2-(4-methoxyphenyl)acetamide,2-(4-methoxyphenyl)acetamide,COc1ccc(CC(=O)N)cc1,COc1ccc(CC(=O)N)cc1,"InChI=1/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)",C9H11NO2,,,,,,OLKQIWCQICCYQS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.149,228-764-2,6358-22-1,4-[[4-(dimethylamino)phenyl]amino]phenol,4-{[4-(dimethylamino)phenyl]amino}phenol,CN(C)c1ccc(Nc2ccc(O)cc2)cc1,CN(C)c1ccc(Nc2ccc(O)cc2)cc1,"InChI=1/C14H16N2O/c1-16(2)13-7-3-11(4-8-13)15-12-5-9-14(17)10-6-12/h3-10,15,17H,1-2H3",C14H16N2O,,,,,,PUYVXGYHLVKSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.154,228-770-5,6358-36-7,"4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride","4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride",Cl.CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC,Cl.CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC,"InChI=1/C21H29N3.ClH/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4;/h9-16,22H,5-8H2,1-4H3;1H",C21H29N3.ClH,,,,,,LQVYCDPEZPBOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.157,228-773-1,6358-46-9,"4-[[4-(benzoylamino)-2,5-dimethoxyphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide","4-{[4-(benzoylamino)-2,5-dimethoxyphenyl]diazenyl}-3-hydroxy-N-phenyl-2-naphthamide",COc5cc(NC(=O)c1ccccc1)c(cc5N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2)c3O)OC,COc5cc(NC(=O)c1ccccc1)c(cc5N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2)c3O)OC,"InChI=1/C32H26N4O5/c1-40-27-19-26(28(41-2)18-25(27)34-31(38)20-11-5-3-6-12-20)35-36-29-23-16-10-9-13-21(23)17-24(30(29)37)32(39)33-22-14-7-4-8-15-22/h3-19,37H,1-2H3,(H,33,39)(H,34,38)",C32H26N4O5,,,,,,KUJZBPJNEJUENO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.309,230-040-6,6921-64-8,1-(2-hydroxy-4-methylphenyl)ethan-1-one,1-(2-hydroxy-4-methylphenyl)ethanone,CC(=O)c1ccc(C)cc1O,CC(=O)c1ccc(C)cc1O,"InChI=1/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3",C9H10O2,,,,,,LYKDOWJROLHYOT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.312,230-043-2,6923-52-0,Antimony triacetate,antimony(3+) triacetate,[SbH3+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[SbH3+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Sb.3H/c3*1-2(3)4;;;;/h3*1H3,(H,3,4);;;;/q;;;+3;;;/p-3/r3C2H4O2.H3Sb/c3*1-2(3)4;/h3*1H3,(H,3,4);1H3/q;;;+3/p-3",C2H4O2.1/3Sb,,,,,,NSMVVPJZMRQLMR-UHFFFAOYSA-K,,,,,,,,,,,
100.027.315,230-046-9,6924-99-8,"Quinoxaline-2,3-dicarboxylic acid","quinoxaline-2,3-dicarboxylic acid",OC(=O)c1nc2ccccc2nc1C(=O)O,OC(=O)c1nc2ccccc2nc1C(=O)O,"InChI=1/C10H6N2O4/c13-9(14)7-8(10(15)16)12-6-4-2-1-3-5(6)11-7/h1-4H,(H,13,14)(H,15,16)",C10H6N2O4,,,,,,CQZDWYYGOZOTHY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.317,230-049-5,6925-69-5,12H-phthaloperin-12-one,"12H-isoindolo[2,1-a]perimidin-12-one",O=C1N2C(=Nc3cccc4cccc2c34)c5ccccc15,O=C1N2C(=Nc3cccc4cccc2c34)c5ccccc15,InChI=1/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H,C18H10N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11457,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.317,XFYQEBBUVNLYBR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.321,230-053-7,6928-85-4,4-methylpiperazin-1-amine,4-methylpiperazin-1-amine,CN1CCN(N)CC1,CN1CCN(N)CC1,"InChI=1/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3",C5H13N3,,,,,,RJWLLQWLBMJCFD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.324,230-056-3,4/10/6933,4-bromo-m-toluidine,4-bromo-3-methylaniline,Cc1cc(N)ccc1Br,Cc1cc(N)ccc1Br,"InChI=1/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3",C7H8BrN,,,,,,MMEGELSFOYDPQW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.330,230-063-1,6937-16-2,4-aminobutyrate ethyl hydrochloride,ethyl 4-aminobutanoate hydrochloride,Cl.CCOC(=O)CCCN,Cl.CCOC(=O)CCCN,"InChI=1/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7;/h2-5,7H2,1H3;1H",C6H13NO2.ClH,,,,,,CXVQSUBJMYZELD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.331,230-064-7,3/06/6938,Butyl nicotinate,butyl nicotinate,CCCCOC(=O)c1cccnc1,CCCCOC(=O)c1cccnc1,"InChI=1/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3",C10H13NO2,,,,,,DQULIMIQTCDUAN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.333,230-066-8,6938-26-7,Ethyl 2-hydroxyvalerate,ethyl 2-hydroxypentanoate,CCCC(O)C(=O)OCC,CCCC(O)C(=O)OCC,"InChI=1/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3",C7H14O3,,,,,,MQGTZMCASHTGBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.335,230-068-9,6938-45-0,Benzyl hexanoate,benzyl hexanoate,CCCCCC(=O)OCc1ccccc1,CCCCCC(=O)OCc1ccccc1,"InChI=1/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3",C13H18O2,,,,,,HRSXWUSONDBHSP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.807,230-587-0,7207-92-3,17-ß-hydroxyestr-4-en-3-one 17-propionate,3-oxoestr-4-en-17-yl propionate,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C21H30O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h12,15-19H,3-11H2,1-2H3",C21H30O3,,,,,,LGRKCTFWUWAKON-RRFJAZBJSA-N,,,,,,,,,,,
100.027.808,230-588-6,7208-47-1,Hexa-O-acetyl-D-glucitol,"1,2,3,4,5,6-hexa-O-acetyl-D-glucitol",CC(=O)OC[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C,CC(=O)OC[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C,"InChI=1/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3",C18H26O12,,,,,,NJVBTKVPPOFGAT-XMTFNYHQSA-N,,,,,,,,,,,
100.027.811,230-591-2,7211-39-4,Dimethylphosphine oxide,dimethylphosphine oxide,CP(=O)C,CP(=O)C,"InChI=1/C2H7OP/c1-4(2)3/h4H,1-2H3",C2H7OP,,,,,,HGDIHUZVQPKSMO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.812,230-592-8,7211-53-2,Potassium docosanoate,potassium docosanoate,[K+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C22H44O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1",C22H44O2.K,,,,,,FYFUQDOEHQSBFN-UHFFFAOYSA-M,,,,,,,,,,,
100.027.813,230-593-3,7211-54-3,(3-mercaptopropyl)ammonium chloride,3-sulfanylpropan-1-aminium chloride,[Cl-].[NH3+]CCCS,[Cl-].[NH3+]CCCS,"InChI=1/C3H9NS.ClH/c4-2-1-3-5;/h5H,1-4H2;1H",C3H9NS.ClH,,,,,,GMEDUXHKSSWXSL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.818,230-599-6,7212-99-9,"2-(2,6-dimethylhepta-1,5-dienyl)-5-methyl-5-propyl-1,3-dioxane","2-(2,6-dimethylhepta-1,5-dien-1-yl)-5-methyl-5-propyl-1,3-dioxane",C/C(C)=C\\CCC(C)=CC1OCC(C)(CO1)CCC,C/C(C)=C\CCC(C)=CC1OCC(C)(CO1)CCC,"InChI=1/C17H30O2/c1-6-10-17(5)12-18-16(19-13-17)11-15(4)9-7-8-14(2)3/h8,11,16H,6-7,9-10,12-13H2,1-5H3",C17H30O2,,,,,,RIIZJSVMCGCUBU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.823,230-605-7,7217-59-6,2-methoxybenzenethiol,2-methoxybenzenethiol,COc1ccccc1S,COc1ccccc1S,"InChI=1/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3",C7H8OS,,,,,,DSCJETUEDFKYGN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.828,230-610-4,7218-24-8,N-(chloroacetyl)phthalimide,"2-(chloroacetyl)-1H-isoindole-1,3(2H)-dione",ClCC(=O)N1C(=O)c2ccccc2C1=O,ClCC(=O)N1C(=O)c2ccccc2C1=O,"InChI=1/C10H6ClNO3/c11-5-8(13)12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2",C10H6ClNO3,,,,,,MHOLXDZIPDVQRT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.829,230-612-5,7218-43-1,2-[2-(propyn-2-yloxy)ethoxy]ethanol,2-[2-(prop-2-yn-1-yloxy)ethoxy]ethanol,OCCOCCOCC#C,OCCOCCOCC#C,"InChI=1/C7H12O3/c1-2-4-9-6-7-10-5-3-8/h1,8H,3-7H2",C7H12O3,,,,,,HUSDTFBXUYBZJD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.552,227-006-8,5593-70-4,Titanium tetrabutanolate,titanium tetrabutanolate,[Ti+2].[Ti+2].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],[Ti+2].[Ti+2].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/4C4H9O.2Ti/c4*1-2-3-4-5;;/h4*2-4H2,1H3;;/q4*-1;2*+2",C4H10O.1/4Ti,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14260,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.552,DLNIVGYQXIWPEV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.555,227-009-4,5597-27-3,3-methylenenorbornan-2-one,3-methylenebicyclo[2.2.1]heptan-2-one,C=C1C2CCC(C2)C1=O,C=C1C2CCC(C2)C1=O,"InChI=1/C8H10O/c1-5-6-2-3-7(4-6)8(5)9/h6-7H,1-4H2",C8H10O,,,,,,FNOOZJAPZFHNCW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.556,227-011-5,5598-13-0,Chlorpyrifos-methyl,"O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate",COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,"InChI=1/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",C7H7Cl3NO3PS,,,,,,HRBKVYFZANMGRE-UHFFFAOYSA-N,Positive,EA295101|EA295102|EA295103|EA295104|EA295105|EA295106|EA295107|EA295108|EA295109|EA295110|EA295111|EA295112|EA295113|EA295114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,289.8761:124.9821:127.0153|321.9025:124.9821:142.9927|124.982:142.9926:289.8762|124.9821:142.9927:289.8757|124.9821:142.9926:78.9944|142.9926:124.982:78.9943|78.9943:124.9821:142.9926|321.9022:124.982:289.8759|124.982:142.9925:289.8759|124.9819:142.9925:289.8758|124.982:142.9925:78.9943|142.9926:124.9821:78.9943|78.9943:142.9926:124.982|289.8759:124.9821:142.9927,Eawag,,,,,
100.024.559,227-014-1,5599-34-8,Azidotriphenylsilane,azido(triphenyl)silane,[N-]=[N+]=N[Si](c1ccccc1)(c2ccccc2)c3ccccc3,[N-]=[N+]=N[Si](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H15N3Si/c19-20-21-22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15N3Si,,,,,,CUCDHIYTCSBMGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.561,227-016-2,5599-39-3,Diazidodiphenylsilane,diazido(diphenyl)silane,[N-]=[N+]=N/[Si](\\N=[N+]=[N-])(c1ccccc1)c2ccccc2,[N-]=[N+]=N/[Si](\N=[N+]=[N-])(c1ccccc1)c2ccccc2,"InChI=1/C12H10N6Si/c13-15-17-19(18-16-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10N6Si,,,,,,XDCSOOXOXIRFAA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.562,227-017-8,5600-19-1,"3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 1-aminopropan-2-ol (1:1)","1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1-aminopropan-2-ol (1:1)",CC(O)CN.CN1C(=O)N(C)c2[nH]cnc2C1=O,CC(O)CN.CN1C(=O)N(C)c2[nH]cnc2C1=O,"InChI=1/C7H8N4O2.C3H9NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(5)2-4/h3H,1-2H3,(H,8,9);3,5H,2,4H2,1H3",C7H8N4O2.C3H9NO,,,,,,QFJDTNNSYMKICD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.565,227-020-4,5600-63-5,4-(4-nitrophenyl)butyryl chloride,4-(4-nitrophenyl)butanoyl chloride,[O-][N+](=O)c1ccc(CCCC(=O)Cl)cc1,[O-][N+](=O)c1ccc(CCCC(=O)Cl)cc1,"InChI=1/C10H10ClNO3/c11-10(13)3-1-2-8-4-6-9(7-5-8)12(14)15/h4-7H,1-3H2",C10H10ClNO3,,,,,,LQGNQUFFXKOHBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.683,216-151-2,1513-44-6,"3-amino-a,a,a-trifluorotoluene-4-sulphonic acid",2-amino-4-(trifluoromethyl)benzenesulfonic acid,Nc1cc(ccc1S(=O)(=O)O)C(F)(F)F,Nc1cc(ccc1S(=O)(=O)O)C(F)(F)F,"InChI=1/C7H6F3NO3S/c8-7(9,10)4-1-2-6(5(11)3-4)15(12,13)14/h1-3H,11H2,(H,12,13,14)",C7H6F3NO3S,,,,,,LHIOGENQCVAALC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.684,216-152-8,1513-65-1,"2,6-difluoropyridine","2,6-difluoropyridine",Fc1cccc(F)n1,Fc1cccc(F)n1,InChI=1/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H,C5H3F2N,,,,,,MBTGBRYMJKYYOE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.687,216-155-4,1515-14-6,"1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol","1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol",CC(O)(C(F)(F)F)C(F)(F)F,CC(O)(C(F)(F)F)C(F)(F)F,"InChI=1/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3",C4H4F6O,,,,,,FQDXJYBXPOMIBX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.689,216-158-0,1515-75-9,"Methyl penta-2,4-dienoate","methyl penta-2,4-dienoate",C=CC=CC(=O)OC,C=CC=CC(=O)OC,"InChI=1/C6H8O2/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3",C6H8O2,,,,,,LJDLNNZTQJVBNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.692,216-161-7,1515-81-7,p-(methoxymethyl)anisole,1-methoxy-4-(methoxymethyl)benzene,COCc1ccc(OC)cc1,COCc1ccc(OC)cc1,"InChI=1/C9H12O2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3",C9H12O2,,,,,,RSOYRXBYZFBWFS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.932,225-225-3,4727-51-9,1-(3-sulphonatopropyl)quinolinium,3-quinolinium-1-ylpropane-1-sulfonate,[O-]S(=O)(=O)CCC[n+]1cccc2ccccc12,[O-]S(=O)(=O)CCC[n+]1cccc2ccccc12,"InChI=1/C12H13NO3S/c14-17(15,16)10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2",C12H13NO3S,,,,,,CBTVLEZOOQHSOC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.933,225-226-9,4727-72-4,1-benzylpiperidin-4-ol,1-benzylpiperidin-4-ol,OC1CCN(Cc2ccccc2)CC1,OC1CCN(Cc2ccccc2)CC1,"InChI=1/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2",C12H17NO,,,,,,BPPZXJZYCOETDA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.935,225-229-5,4728-34-1,"Octahydro-4,7-methano-1H-indene-1,2-diol","octahydro-1H-4,7-methanoindene-1,2-diol",OC1CC2C3CCC(C3)C2C1O,OC1CC2C3CCC(C3)C2C1O,"InChI=1/C10H16O2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h5-12H,1-4H2",C10H16O2,,,,,,XZDKBXDSOIMBNM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.949,225-244-7,4734-81-0,Cyclooctylmethylamine,1-cyclooctylmethanamine,NCC1CCCCCCC1,NCC1CCCCCCC1,"InChI=1/C9H19N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-8,10H2",C9H19N,,,,,,GQOIKWAYFXTZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.950,225-245-2,4736-60-1,Ethyltriphenylphosphonium iodide,ethyl(triphenyl)phosphonium iodide,[I-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[I-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1",C20H20P.I,,,,,,SLAFUPJSGFVWPP-UHFFFAOYSA-M,,,,,,,,,,,
100.022.955,225-251-5,4740-81-2,"2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxan-5-ol","2-(2,6-dimethylhepta-1,5-dien-1-yl)-1,3-dioxan-5-ol",C/C(C)=C\\CCC(C)=CC1OCC(O)CO1,C/C(C)=C\CCC(C)=CC1OCC(O)CO1,"InChI=1/C13H22O3/c1-10(2)5-4-6-11(3)7-13-15-8-12(14)9-16-13/h5,7,12-14H,4,6,8-9H2,1-3H3",C13H22O3,,,,,,NUQAIRUKFLHEIK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.957,225-253-6,4741-53-1,Tetraphenylphthalic anhydride,"4,5,6,7-tetraphenyl-2-benzofuran-1,3-dione",O=C1OC(=O)c2c1c(c3ccccc3)c(c4ccccc4)c(c5ccccc5)c2c6ccccc6,O=C1OC(=O)c2c1c(c3ccccc3)c(c4ccccc4)c(c5ccccc5)c2c6ccccc6,InChI=1/C32H20O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20H,C32H20O3,,,,,,RSKXGCFFFZIWNC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.961,225-257-8,5/08/4744,"1,1-diethoxypropane","1,1-diethoxypropane",CCOC(CC)OCC,CCOC(CC)OCC,"InChI=1/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3",C7H16O2,,,,,,MBNMGGKBGCIEGF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.962,225-258-3,9/10/4744,"1,1-dimethoxypropane","1,1-dimethoxypropane",CCC(OC)OC,CCC(OC)OC,"InChI=1/C5H12O2/c1-4-5(6-2)7-3/h5H,4H2,1-3H3",C5H12O2,,,,,,UIOXNNAWANDJCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.968,225-265-1,4747-15-3,Methyl a-styryl ether,(2-methoxyvinyl)benzene,COC=Cc1ccccc1,COC=Cc1ccccc1,"InChI=1/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3",C9H10O,,,,,,CTHJQRHPNQEPAB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.973,225-270-9,4750-57-6,1-methyl-5-nitro-1H-imidazole-2-carbaldehyde,1-methyl-5-nitro-1H-imidazole-2-carbaldehyde,Cn1c(C=O)ncc1[N+](=O)[O-],Cn1c(C=O)ncc1[N+](=O)[O-],"InChI=1/C5H5N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2-3H,1H3",C5H5N3O3,,,,,,JLQLFVSTEDRFAD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.975,225-273-5,4751-41-1,"2,2'-(2,5-furandiyl)bis-1H-benzimidazole","2,2'-furan-2,5-diylidenebis(2H-benzimidazole)",O1C(=C2N=C3C=CC=CC3=N2)C=CC1=C4N=C5C=CC=CC5=N4,O1C(=C2N=C3C=CC=CC3=N2)C=CC1=C4N=C5C=CC=CC5=N4,InChI=1/C18H10N4O/c1-2-6-12-11(5-1)19-17(20-12)15-9-10-16(23-15)18-21-13-7-3-4-8-14(13)22-18/h1-10H,C18H12N4O,,,,,,VADOBUVCVAWDDE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.976,225-274-0,4751-43-3,"2,2'-(2,5-furandiyl)bis[1-methyl-1H-benzimidazole","2,2'-furan-2,5-diylbis(1-methyl-1H-benzimidazole)",Cn1c(nc2ccccc12)c3oc(cc3)c4nc5ccccc5n4C,Cn1c(nc2ccccc12)c3oc(cc3)c4nc5ccccc5n4C,"InChI=1/C20H16N4O/c1-23-15-9-5-3-7-13(15)21-19(23)17-11-12-18(25-17)20-22-14-8-4-6-10-16(14)24(20)2/h3-12H,1-2H3",C20H16N4O,,,,,,DCQMTQROWWTYEM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.355,233-404-2,10142-78-6,Disodium 5-[[4-[(5-sulphonato-1-naphthyl)azo]-1-naphthyl]azo]-8-(p-tolylamino)naphthalene-1-sulphonate,disodium 8-[(4-methylphenyl)amino]-5-({4-[(5-sulfonato-1-naphthyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c7cccc6c7cccc6N=Nc5ccc(N=Nc3ccc(Nc1ccc(C)cc1)c2c(cccc23)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c7cccc6c7cccc6N=Nc5ccc(N=Nc3ccc(Nc1ccc(C)cc1)c2c(cccc23)S([O-])(=O)=O)c4ccccc45,"InChI=1/C37H27N5O6S2.2Na/c1-23-15-17-24(18-16-23)38-34-22-21-33(29-11-6-14-36(37(29)34)50(46,47)48)42-41-32-20-19-31(25-7-2-3-8-26(25)32)40-39-30-12-4-10-28-27(30)9-5-13-35(28)49(43,44)45;;/h2-22,38H,1H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C37H27N5O6S2.2Na,,,,,,IQBGPEXPWQFLMJ-UHFFFAOYSA-L,,,,,,,,,,,
100.030.360,233-410-5,10143-38-1,Dysprosium trinitrate,dysprosium trinitrate,[Dy+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Dy+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Dy.3NO3/c;3*2-1(3)4/q+3;3*-1,Dy.3HNO3,,,,,,DVENVBCPDCQQGD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.361,233-411-0,10143-53-0,[2-(2-ethoxyethoxy)ethoxy]ethylene,[2-(2-ethoxyethoxy)ethoxy]ethene,CCOCCOCCOC=C,CCOCCOCCOC=C,"InChI=1/C8H16O3/c1-3-9-5-7-11-8-6-10-4-2/h3H,1,4-8H2,2H3",C8H16O3,,,,,,AYMDJPGTQFHDSA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.368,233-418-9,10149-98-1,"4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","5-oxo-4-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O,OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O,"InChI=1/C18H16N4O12S3/c23-17-15(16(18(24)25)21-22(17)12-3-7-14(8-4-12)36(28,29)30)20-19-11-1-5-13(6-2-11)35(26,27)10-9-34-37(31,32)33/h1-8,15H,9-10H2,(H,24,25)(H,28,29,30)(H,31,32,33)",C18H16N4O12S3,,,,,,ZDISUHHECSVSMD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.128,226-540-9,5421-46-5,Ammonium mercaptoacetate,ammonium sulfanylacetate,[NH4+].[O-]C(=O)CS,[NH4+].[O-]C(=O)CS,"InChI=1/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3",C2H4O2S.H3N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11373,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.128,ZZTCCAPMZLDHFM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.133,226-546-1,5422-34-4,N-2-hydroxyethyllactamide,2-hydroxy-N-(2-hydroxyethyl)propanamide,CC(O)C(=O)NCCO,CC(O)C(=O)NCCO,"InChI=1/C5H11NO3/c1-4(8)5(9)6-2-3-7/h4,7-8H,2-3H2,1H3,(H,6,9)",C5H11NO3,,,,,,RZCHTMXTKQHYDT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.109,228-720-2,6336-70-5,4-sulphanilamidobenzoic acid,4-{[(4-aminophenyl)sulfonyl]amino}benzoic acid,Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)O,Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)O,"InChI=1/C13H12N2O4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,14H2,(H,16,17)",C13H12N2O4S,,,,,,WNLOVPITXSWKEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.110,228-721-8,6337-00-4,2-amino-3-bromoanthraquinone,"2-amino-3-bromo-9,10-anthraquinone",Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Br,Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Br,"InChI=1/C14H8BrNO2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2",C14H8BrNO2,,,,,,CLWMYQQCXBSIBF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.111,228-722-3,6337-24-2,p-(p-nitrophenoxy)anisole,1-methoxy-4-(4-nitrophenoxy)benzene,COc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,COc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C13H11NO4/c1-17-11-6-8-13(9-7-11)18-12-4-2-10(3-5-12)14(15)16/h2-9H,1H3",C13H11NO4,,,,,,NBCQLWNLTLMGCB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.115,228-727-0,1/12/6338,"Disodium 9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonate","disodium 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonate",[Na+].[Na+].Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H6N2O14S2.2Na/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)10-8(13(7)19)4(16(23)24)2-6(12(10)18)32(28,29)30;;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C14H6N2O14S2.2Na,,,,,,AEPKLTXDIBOMAI-UHFFFAOYSA-L,,,,,,,,,,,
100.026.116,228-728-6,6338-52-9,2-butoxyethylamine,2-butoxyethanamine,CCCCOCCN,CCCCOCCN,"InChI=1/C6H15NO/c1-2-3-5-8-6-4-7/h2-7H2,1H3",C6H15NO,,,,,,BFBKUYFMLNOLOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.117,228-729-1,6338-68-7,"N,N-dimethylethanesulphonamide","N,N-dimethylethanesulfonamide",CCS(=O)(=O)N(C)C,CCS(=O)(=O)N(C)C,"InChI=1/C4H11NO2S/c1-4-8(6,7)5(2)3/h4H2,1-3H3",C4H11NO2S,,,,,,MORLSCQKZAPYFM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.124,228-737-5,6342-70-7,Methyl 3-methoxysalicylate,methyl 2-hydroxy-3-methoxybenzoate,COC(=O)c1cccc(OC)c1O,COC(=O)c1cccc(OC)c1O,"InChI=1/C9H10O4/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5,10H,1-2H3",C9H10O4,,,,,,BWRCJLJJIXYLNV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.750,230-524-7,7170-77-6,2-amino-6-benzothiazolyl thiocyanate,"2-amino-1,3-benzothiazol-6-yl thiocyanate",Nc1nc2ccc(SC#N)cc2s1,Nc1nc2ccc(SC#N)cc2s1,"InChI=1/C8H5N3S2/c9-4-12-5-1-2-6-7(3-5)13-8(10)11-6/h1-3H,(H2,10,11)",C8H5N3S2,,,,,,FVNSRFMQXKMHTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.337,230-071-5,6938-68-7,2-methylthiosemicarbazide,1-methylhydrazinecarbothioamide,CN(N)C(=S)N,CN(N)C(=S)N,"InChI=1/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)",C2H7N3S,,,,,,IIGQLQZSWDUOBI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.341,230-075-7,6939-75-9,Benzyl 4-oxovalerate,benzyl 4-oxopentanoate,CC(=O)CCC(=O)OCc1ccccc1,CC(=O)CCC(=O)OCc1ccccc1,"InChI=1/C12H14O3/c1-10(13)7-8-12(14)15-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3",C12H14O3,,,,,,KWQUVANYFZOCEA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.342,230-076-2,6939-85-1,Sodium aminomethanesulphonate,sodium aminomethanesulfonate,[Na+].NCS(=O)(=O)[O-],[Na+].NCS(=O)(=O)[O-],"InChI=1/CH5NO3S.Na/c2-1-6(3,4)5;/h1-2H2,(H,3,4,5);/q;+1/p-1",CH5NO3S.Na,,,,,,UZHDDUOPWFLWPC-UHFFFAOYSA-M,,,,,,,,,,,
100.027.343,230-077-8,6939-89-5,Ammonium hydrogen 2-sulphobenzoate,ammonium 2-sulfobenzoate,[NH4+].OS(=O)(=O)c1ccccc1C(=O)[O-],[NH4+].OS(=O)(=O)c1ccccc1C(=O)[O-],"InChI=1/C7H6O5S.H3N/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H3",C7H6O5S.H3N,,,,,,PJGXSCHDOCZUNR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.348,230-083-0,6940-47-2,N-(chloroacetyl)-DL-norvaline,N-(chloroacetyl)-L-norvaline,O=C(N[C@@H](CCC)C(O)=O)CCl,O=C(N[C@@H](CCC)C(O)=O)CCl,"InChI=1/C7H12ClNO3/c1-2-3-5(7(11)12)9-6(10)4-8/h5H,2-4H2,1H3,(H,9,10)(H,11,12)",C7H12ClNO3,,,,,,KWMCURFIQFSPEW-YFKPBYRVSA-N,,,,,,,,,,,
100.027.349,230-084-6,6940-49-4,3-bromophthalide,3-bromo-2-benzofuran-1(3H)-one,BrC1OC(=O)c2ccccc12,BrC1OC(=O)c2ccccc12,"InChI=1/C8H5BrO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H",C8H5BrO2,,,,,,CLMSHAWYULIVFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.351,230-086-7,6940-53-0,"1-chloro-2,5-dimethoxy-4-nitrobenzene","1-chloro-2,5-dimethoxy-4-nitrobenzene",COc1cc(c(OC)cc1Cl)[N+](=O)[O-],COc1cc(c(OC)cc1Cl)[N+](=O)[O-],"InChI=1/C8H8ClNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3",C8H8ClNO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1976,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.351,ORLPGMKKCAEWOW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.759,228-334-4,6231-18-1,"2,6-dimethoxypyridine","2,6-dimethoxypyridine",COc1cccc(OC)n1,COc1cccc(OC)n1,"InChI=1/C7H9NO2/c1-9-6-4-3-5-7(8-6)10-2/h3-5H,1-2H3",C7H9NO2,,,,,,IBTGEEMBZJBBSH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.762,228-338-6,6232-53-7,"2-(5-chloro-2,4-diaminophenylazo)-4,6-dinitrophenol","2-[(2,4-diamino-5-chlorophenyl)diazenyl]-4,6-dinitrophenol",Nc2cc(N)c(Cl)cc2N=Nc1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O,Nc2cc(N)c(Cl)cc2N=Nc1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O,"InChI=1/C12H9ClN6O5/c13-6-3-9(8(15)4-7(6)14)16-17-10-1-5(18(21)22)2-11(12(10)20)19(23)24/h1-4,20H,14-15H2",C12H9ClN6O5,,,,,,HCOPKOHYVNROPN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.765,228-341-2,6232-57-1,4-[(4-aminophenyl)azo]-5-methyl-o-anisidine,4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methylaniline,Nc1cc(C)c(cc1OC)N=Nc2ccc(N)cc2,Nc1cc(C)c(cc1OC)N=Nc2ccc(N)cc2,"InChI=1/C14H16N4O/c1-9-7-12(16)14(19-2)8-13(9)18-17-11-5-3-10(15)4-6-11/h3-8H,15-16H2,1-2H3",C14H16N4O,,,,,,DBENZRUFCCLWPP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.766,228-342-8,6232-82-2,"2,4-dihydro-5-methyl-4-phenyl-3H-1,2,4-triazole-3-thione","5-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione",CC1=NNC(=S)N1c2ccccc2,CC1=NNC(=S)N1c2ccccc2,"InChI=1/C9H9N3S/c1-7-10-11-9(13)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)",C9H9N3S,,,,,,VITIJXJNRKRDKF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.767,228-343-3,6232-88-8,a-bromotoluic acid,4-(bromomethyl)benzoic acid,OC(=O)c1ccc(CBr)cc1,OC(=O)c1ccc(CBr)cc1,"InChI=1/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)",C8H7BrO2,,,,,,CQQSQBRPAJSTFB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.778,228-355-9,6244-53-7,"Ethyl a-oxo[1,1'-biphenyl]-4-acetate",ethyl biphenyl-4-yl(oxo)acetate,CCOC(=O)C(=O)c1ccc(cc1)c2ccccc2,CCOC(=O)C(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C16H14O3/c1-2-19-16(18)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3",C16H14O3,,,,,,JSNHSBCQHIQENB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.780,228-358-5,6245-59-6,Sodium 3-[[4-(benzoylethylamino)-2-methylphenyl]azo]-4-hydroxynaphthalene-1-sulphonate,sodium 3-({4-[benzoyl(ethyl)amino]-2-methylphenyl}diazenyl)-4-hydroxynaphthalene-1-sulfonate,[Na+].O=C(c1ccccc1)N(CC)c4ccc(N=Nc3cc(c2ccccc2c3O)S([O-])(=O)=O)c(C)c4,[Na+].O=C(c1ccccc1)N(CC)c4ccc(N=Nc3cc(c2ccccc2c3O)S([O-])(=O)=O)c(C)c4,"InChI=1/C26H23N3O5S.Na/c1-3-29(26(31)18-9-5-4-6-10-18)19-13-14-22(17(2)15-19)27-28-23-16-24(35(32,33)34)20-11-7-8-12-21(20)25(23)30;/h4-16,30H,3H2,1-2H3,(H,32,33,34);/q;+1/p-1",C26H23N3O5S.Na,,,,,,WQTYENAMNCPEFL-UHFFFAOYSA-M,,,,,,,,,,,
100.025.783,228-361-1,6245-89-2,1H-indole-3-propylamine,3-(1H-indol-3-yl)propan-1-amine,NCCCc1c[nH]c2ccccc12,NCCCc1c[nH]c2ccccc12,"InChI=1/C11H14N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7,12H2",C11H14N2,,,,,,OOIAXMPVZJKJHK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.785,228-363-2,6247-28-5,"4,6-dinitro-4'-methyl-2,2'-azodiphenol","2-[(2-hydroxy-5-methylphenyl)diazenyl]-4,6-dinitrophenol",Oc2c(cc(cc2N=Nc1cc(C)ccc1O)[N+]([O-])=O)[N+]([O-])=O,Oc2c(cc(cc2N=Nc1cc(C)ccc1O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C13H10N4O6/c1-7-2-3-12(18)9(4-7)14-15-10-5-8(16(20)21)6-11(13(10)19)17(22)23/h2-6,18-19H,1H3",C13H10N4O6,,,,,,FOKSPEFAGGJDHP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.575,227-031-4,5611-51-8,Triamcinolone hexacetonide,"2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl 3,3-dimethylbutanoate",CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,"InChI=1/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3",C30H41FO7,,,,,,TZIZWYVVGLXXFV-FLRHRWPCSA-N,,,,,,,,,,,
100.024.576,227-033-5,5613-46-7,"4,4'-isopropylidenedi-2,6-xylol","4,4'-propane-2,2-diylbis(2,6-dimethylphenol)",Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2,Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2,"InChI=1/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3",C19H24O2,,,,,,ODJUOZPKKHIEOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.578,227-035-6,5614-64-2,"2-aminopurine-6,8-diol","2-amino-9H-purine-6,8-diol",Nc1nc(O)c2nc(O)[nH]c2n1,Nc1nc(O)c2nc(O)[nH]c2n1,"InChI=1/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)",C5H5N5O2,,,,,,CLGFIVUFZRGQRP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.579,227-036-1,5616-22-8,N-D-gluconoylglycine,"[(2,3,4,5,6-pentahydroxyhexanoyl)amino]acetic acid (non-preferred name)",OCC(O)C(O)C(O)C(O)C(=O)NCC(=O)O,OCC(O)C(O)C(O)C(O)C(=O)NCC(=O)O,"InChI=1/C8H15NO8/c10-2-3(11)5(14)6(15)7(16)8(17)9-1-4(12)13/h3,5-7,10-11,14-16H,1-2H2,(H,9,17)(H,12,13)",C8H15NO8,,,,,,QEHGETHQXBNOTO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.582,227-039-8,5617-28-7,"1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCCCC4)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCCCC4)cc1S(=O)(=O)O,"InChI=1/C20H20N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27)",C20H20N2O5S,,,,,,GMBNNHLANOGOAU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.397,230-136-8,6954-27-4,"[1,1'-biphenyl]-4,4'-dithiol","biphenyl-4,4'-dithiol",Sc1ccc(cc1)c2ccc(S)cc2,Sc1ccc(cc1)c2ccc(S)cc2,"InChI=1/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H",C12H10S2,,,,,,VRPKUXAKHIINGG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.402,230-142-0,1/09/6957,1-(o-tolyl)cyclohexan-1-ol,1-(2-methylphenyl)cyclohexanol,Cc1ccccc1C2(O)CCCCC2,Cc1ccccc1C2(O)CCCCC2,"InChI=1/C13H18O/c1-11-7-3-4-8-12(11)13(14)9-5-2-6-10-13/h3-4,7-8,14H,2,5-6,9-10H2,1H3",C13H18O,,,,,,MCZGYWBDNZZZTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.404,230-144-1,6957-15-9,"N-(2,2-diethoxyethyl)pyridine-2-methylamine","2,2-diethoxy-N-(pyridin-2-ylmethyl)ethanamine",CCOC(CNCc1ccccn1)OCC,CCOC(CNCc1ccccn1)OCC,"InChI=1/C12H20N2O2/c1-3-15-12(16-4-2)10-13-9-11-7-5-6-8-14-11/h5-8,12-13H,3-4,9-10H2,1-2H3",C12H20N2O2,,,,,,INTMTQABLHWPSW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.408,230-148-3,6957-27-3,"1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline",COc1ccc(CC2=NCCc3cc(OC)c(OC)cc23)cc1OC,COc1ccc(CC2=NCCc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C20H23NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12H,7-9H2,1-4H3",C20H23NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17869,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.408,UCJDFFOXXPPGLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.412,230-153-0,6959-71-3,3-butoxypropiononitrile,3-butoxypropanenitrile,CCCCOCCC#N,CCCCOCCC#N,"InChI=1/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3",C7H13NO,,,,,,AWVNJBFNHGQUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.417,230-158-8,6962-92-1,4-chlorobutyl acetate,4-chlorobutyl acetate,CC(=O)OCCCCCl,CC(=O)OCCCCCl,"InChI=1/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3",C6H11ClO2,,,,,,PYLDCZJUHYVOAF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.422,230-164-0,9/10/6964,5-amino-4-phenylthiazole-2(3H)-thione,"5-amino-4-phenyl-1,3-thiazole-2(3H)-thione",NC1=C(NC(=S)S1)c2ccccc2,NC1=C(NC(=S)S1)c2ccccc2,"InChI=1/C9H8N2S2/c10-8-7(11-9(12)13-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,12)",C9H8N2S2,,,,,,DFBLEVVSFACJOY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.426,230-168-2,1/01/6965,"1,3-[bis(3-pyridylmethyl)]thiourea","1,3-bis(pyridin-3-ylmethyl)thiourea",S=C(NCc1cccnc1)NCc2cccnc2,S=C(NCc1cccnc1)NCc2cccnc2,"InChI=1/C13H14N4S/c18-13(16-9-11-3-1-5-14-7-11)17-10-12-4-2-6-15-8-12/h1-8H,9-10H2,(H2,16,17,18)",C13H14N4S,,,,,,KWZKQWNJGMWSDK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.435,230-178-7,6967-44-8,1-(allyloxy)-3-aminopropan-2-ol,1-(allyloxy)-3-aminopropan-2-ol,NCC(O)COCC=C,NCC(O)COCC=C,"InChI=1/C6H13NO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5,7H2",C6H13NO2,,,,,,CBTJEAMLAOXIEA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.437,230-180-8,6967-57-3,"1,2,3,5-tetrahydro-7-methyl-2-thioxopteridin-4,6-dione","7-methyl-2-thioxo-1,2,3,5-tetrahydropteridine-4,6-dione",CC1=NC2=C(NC1=O)C(=O)NC(=S)N2,CC1=NC2=C(NC1=O)C(=O)NC(=S)N2,"InChI=1/C7H6N4O2S/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h1H3,(H,9,12)(H2,8,10,11,13,14)",C7H6N4O2S,,,,,,ASXQSQWURKMTJE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.877,214-164-8,1104-22-9,Meclozine dihydrochloride,1-[(4-chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine dihydrochloride,Cl.Cl.Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1,Cl.Cl.Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1,"InChI=1/C25H27ClN2.2ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;/h2-13,18,25H,14-17,19H2,1H3;2*1H",C25H27ClN2.2ClH,,,,,,VCTHNOIYJIXQLV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.879,214-166-9,1104-99-0,"17-hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate","3-methoxy-6-methyl-20-oxopregna-3,5-dien-17-yl acetate",COC1=CC2=C(C)C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(=O)C)C(=O)C)[C@@]2(C)CC1,COC1=CC2=C(C)C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(=O)C)C(=O)C)[C@@]2(C)CC1,"InChI=1/C25H36O4/c1-15-13-19-20(23(4)10-7-18(28-6)14-22(15)23)8-11-24(5)21(19)9-12-25(24,16(2)26)29-17(3)27/h14,19-21H,7-13H2,1-6H3",C25H36O4,,,,,,VFQNBCVPIGXTFD-HYRPPVSQSA-N,,,,,,,,,,,
100.012.883,214-171-6,1107-26-2,8'-apo-ß-caroten-8'-al,"2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal",C\\C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C1=C(C)CCCC1(C)C)/C)\\C=O,C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C)\C=O,"InChI=1/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3",C30H40O,,,,,,DFMMVLFMMAQXHZ-DOKBYWHISA-N,,,,,,,,,,,
100.012.888,214-176-3,1110-80-1,Pipacycline,"4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CCO)CC4)C(=O)c5c(O)cccc5[C@@]3(C)O,CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CCO)CC4)C(=O)c5c(O)cccc5[C@@]3(C)O,"InChI=1/C29H38N4O9/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)",C29H38N4O9,,,,,,XATZHCXBMKRRDO-RWWOUVMZSA-N,,,,,,,,,,,
100.012.901,214-191-5,1112-48-7,Bromotriethylsilane,bromo(triethyl)silane,CC[Si](Br)(CC)CC,CC[Si](Br)(CC)CC,"InChI=1/C6H15BrSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3",C6H15BrSi,,,,,,UCKORWKZRPKRQE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.902,214-192-0,1112-55-6,Tetravinylsilane,tetravinylsilane,C=C[Si](C=C)(C=C)C=C,C=C[Si](C=C)(C=C)C=C,"InChI=1/C8H12Si/c1-5-9(6-2,7-3)8-4/h5-8H,1-4H2",C8H12Si,,,,,,UFHILTCGAOPTOV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.903,214-193-6,1112-56-7,Tetravinylstannane,tetravinylstannane,C=C[Sn](C=C)(C=C)C=C,C=C[Sn](C=C)(C=C)C=C,"InChI=1/4C2H3.Sn/c4*1-2;/h4*1H,2H2;/rC8H12Sn/c1-5-9(6-2,7-3)8-4/h5-8H,1-4H2",C8H12Sn,,,,,,MZIYQMVHASXABC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.906,214-196-2,1112-99-8,"(S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate","1,5,9-trimethyl-1-vinyldeca-4,8-dien-1-yl formate",O=CO[C@@](C)(CCC=C(C)CC\\C=C(/C)C)C=C,O=CO[C@@](C)(CCC=C(C)CC\C=C(/C)C)C=C,"InChI=1/C16H26O2/c1-6-16(5,18-13-17)12-8-11-15(4)10-7-9-14(2)3/h6,9,11,13H,1,7-8,10,12H2,2-5H3",C16H26O2,,,,,,GJPVEZJRYIBIOD-MRXNPFEDSA-N,,,,,,,,,,,
100.012.913,214-203-9,1113-41-3,L-(+)-ß-mercaptovaline,3-sulfanylvaline,CC(C)(S)C(N)C(=O)O,CC(C)(S)C(N)C(=O)O,"InChI=1/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)",C5H11NO2S,,,,,,VVNCNSJFMMFHPL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.914,214-204-4,1113-49-1,Ethyl 2-methylalaninate,ethyl 2-methylalaninate,CCOC(=O)C(C)(C)N,CCOC(=O)C(C)(C)N,"InChI=1/C6H13NO2/c1-4-9-5(8)6(2,3)7/h4,7H2,1-3H3",C6H13NO2,,,,,,DWLJKCGOCUODFL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.915,214-206-5,1113-59-3,3-bromo-2-oxopropionic acid,3-bromo-2-oxopropanoic acid,OC(=O)C(=O)CBr,OC(=O)C(=O)CBr,"InChI=1/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)",C3H3BrO3,,,,,,PRRZDZJYSJLDBS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.919,214-210-7,1114-00-7,"(±)-2,3-dibromosuccinic acid","2,3-dibromosuccinic acid",OC(=O)C(Br)C(Br)C(=O)O,OC(=O)C(Br)C(Br)C(=O)O,"InChI=1/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)",C4H4Br2O4,,,,,,FJWGRXKOBIVTFA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.921,214-212-8,1114-34-7,D-lyxose,D-lyxose,O[C@H](C=O)[C@@H](O)[C@H](O)CO,O[C@H](C=O)[C@@H](O)[C@H](O)CO,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-UOWFLXDJSA-N,,,,,,,,,,,
100.012.922,214-213-3,1114-39-2,"1,1-diethylguanidine hydrochloride","1,1-diethylguanidine hydrochloride",Cl.CCN(CC)C(=N)N,Cl.CCN(CC)C(=N)N,"InChI=1/C5H13N3.ClH/c1-3-8(4-2)5(6)7;/h3-4H2,1-2H3,(H3,6,7);1H",C5H13N3.ClH,,,,,,BUFXTZQKWHOGPE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.143,229-857-0,6789-94-2,3-amino-N-ethylpiperidine,1-ethylpiperidin-3-amine,CCN1CCCC(N)C1,CCN1CCCC(N)C1,"InChI=1/C7H16N2/c1-2-9-5-3-4-7(8)6-9/h7H,2-6,8H2,1H3",C7H16N2,,,,,,WAKUKXKZEXFXJP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.153,229-868-0,6797-13-3,2-ethylbenzoxazole,"2-ethyl-1,3-benzoxazole",CCc1oc2ccccc2n1,CCc1oc2ccccc2n1,"InChI=1/C9H9NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3",C9H9NO,,,,,,YPIFLXOVPCARGI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.751,230-525-2,7173-51-5,Didecyldimethylammonium chloride,"N-decyl-N,N-dimethyldecan-1-aminium chloride",[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,"InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1",C22H48N.Cl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5864,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.751,RUPBZQFQVRMKDG-UHFFFAOYSA-M,,,,,,,,,,,
100.027.760,230-535-7,7176-17-2,"Bis(2,3-epoxypropyl)cyclohexane-1,4-dicarboxylate","1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,4-dicarboxylate",[O-]C(=O)C1CCC(CC2CO2)(C(CC3CO3)C1)C(=O)[O-],[O-]C(=O)C1CCC(CC2CO2)(C(CC3CO3)C1)C(=O)[O-],"InChI=1/C14H20O6/c15-12(16)8-1-2-14(13(17)18,5-11-7-20-11)9(3-8)4-10-6-19-10/h8-11H,1-7H2,(H,15,16)(H,17,18)/p-2",C14H20O6,,,,,,VUXCRHQOBJAZQS-UHFFFAOYSA-L,,,,,,,,,,,
100.027.770,230-546-7,7181-73-9,Benzyldimethyl(2-phenoxyethyl)ammonium,"N-benzyl-N,N-dimethyl-2-phenoxyethanaminium",C[N+](C)(CCOc1ccccc1)Cc2ccccc2,C[N+](C)(CCOc1ccccc1)Cc2ccccc2,"InChI=1/C17H22NO/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1",C17H22NO,,,,,,AVWWVJUMXRXPNF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.779,230-556-1,7191-39-1,2'-pentyloxyacetophenone,1-[2-(pentyloxy)phenyl]ethanone,CCCCCOc1ccccc1C(=O)C,CCCCCOc1ccccc1C(=O)C,"InChI=1/C13H18O2/c1-3-4-7-10-15-13-9-6-5-8-12(13)11(2)14/h5-6,8-9H,3-4,7,10H2,1-2H3",C13H18O2,,,,,,DHDSALKEOLDSSE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.508,226-958-1,5578-80-3,9-formylnonanoic acid,10-oxodecanoic acid,OC(=O)CCCCCCCCC=O,OC(=O)CCCCCCCCC=O,"InChI=1/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h9H,1-8H2,(H,12,13)",C10H18O3,,,,,,FYURGFQVSMALOD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.511,226-961-8,5579-16-8,"(R)-2-hydroxy-a-[(methylamino)methyl]-1,3,2-benzodioxaborole-5-methanol","5-[1-hydroxy-2-(methylamino)ethyl]-1,3,2-benzodioxaborol-2-ol",CNC[C@H](O)c1ccc2OB(O)Oc2c1,CNC[C@H](O)c1ccc2OB(O)Oc2c1,"InChI=1/C9H12BNO4/c1-11-5-7(12)6-2-3-8-9(4-6)15-10(13)14-8/h2-4,7,11-13H,5H2,1H3",C9H12BNO4,,,,,,ZNMXKJDERFMXNF-ZETCQYMHSA-N,,,,,,,,,,,
100.024.512,226-962-3,5579-66-8,"3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol","3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2",C20H42O11,,,,,,DTPCFIHYWYONMD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.513,226-963-9,5579-78-2,7-butyloxepan-2-one,7-butyloxepan-2-one,CCCCC1CCCCC(=O)O1,CCCCC1CCCCC(=O)O1,"InChI=1/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3",C10H18O2,,,,,,YKVIWISPFDZYOW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.519,226-970-7,5580-57-4,"3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(3-chloro-o-tolyl)benzamide]","3,3'-{(2-chloro-5-methyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-N-(3-chloro-2-methylphenyl)benzamide]",Clc4ccc(cc4N=NC(=O)C(Nc3cc(C)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cccc(Cl)c2C)cc3Cl)C(C)=O)C(=O)Nc5cccc(Cl)c5C,Clc4ccc(cc4N=NC(=O)C(Nc3cc(C)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cccc(Cl)c2C)cc3Cl)C(C)=O)C(=O)Nc5cccc(Cl)c5C,"InChI=1/C43H35Cl5N8O6/c1-20-16-35(50-39(24(5)58)43(62)56-54-37-18-26(13-15-30(37)47)41(60)52-33-11-7-9-28(45)22(33)3)31(48)19-34(20)49-38(23(4)57)42(61)55-53-36-17-25(12-14-29(36)46)40(59)51-32-10-6-8-27(44)21(32)2/h6-19,38-39,49-50H,1-5H3,(H,51,59)(H,52,60)",C43H35Cl5N8O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5373,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.519,KAVHKVKDGSYKEL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.520,226-971-2,5580-58-5,"3,3'-[(2,5-dichloro-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(5-chloro-o-tolyl)benzamide]","3,3'-{(2,5-dichloro-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-N-(5-chloro-2-methylphenyl)benzamide]",Clc4ccc(cc4N=NC(=O)C(Nc3cc(Cl)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cc(Cl)ccc2C)cc3Cl)C(C)=O)C(=O)Nc5cc(Cl)ccc5C,Clc4ccc(cc4N=NC(=O)C(Nc3cc(Cl)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cc(Cl)ccc2C)cc3Cl)C(C)=O)C(=O)Nc5cc(Cl)ccc5C,"InChI=1/C42H32Cl6N8O6/c1-19-5-9-25(43)15-31(19)51-39(59)23-7-11-27(45)35(13-23)53-55-41(61)37(21(3)57)49-33-17-30(48)34(18-29(33)47)50-38(22(4)58)42(62)56-54-36-14-24(8-12-28(36)46)40(60)52-32-16-26(44)10-6-20(32)2/h5-18,37-38,49-50H,1-4H3,(H,51,59)(H,52,60)",C42H32Cl6N8O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10705,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.520,OAPCLFMBYROACF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.522,226-973-3,5581-21-5,"Hexane-1,2,5,6-tetrol","3,4-dideoxyhexitol",OCC(O)CCC(O)CO,OCC(O)CCC(O)CO,"InChI=1/C6H14O4/c7-3-5(9)1-2-6(10)4-8/h5-10H,1-4H2",C6H14O4,,,,,,AMXRXGOSEWMPEF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.524,226-975-4,5581-32-8,"3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bispropane-1,2-diol","3,3'-[propane-2,2-diylbis(4,1-phenyleneoxy)]dipropane-1,2-diol",CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2,CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2,"InChI=1/C21H28O6/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,22-25H,11-14H2,1-2H3",C21H28O6,,,,,,NISVZEWKUNUGQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.535,226-988-5,5587-42-8,"Imidazole, sodium derivative",-,[Na+].c1c[nH]cn1,[Na+].c1c[nH]cn1,"InChI=1/C3H4N2.Na/c1-2-5-3-4-1;/h1-3H,(H,4,5);/q;+1",C3H4N2.Na,,,,,,KYPWTIZOPWGPMK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.725,228-296-9,6220-62-8,2'-deoxyguanosine 3'-(dihydrogen phosphate),"9-(2-deoxy-3-O-phosphonopentofuranosyl)-2-imino-1,2,3,9-tetrahydro-6H-purin-6-one",OCC1OC(CC1OP(=O)(O)O)n2cnc3C(=O)NC(=N)Nc23,OCC1OC(CC1OP(=O)(O)O)n2cnc3C(=O)NC(=N)Nc23,"InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)",C10H14N5O7P,,,,,,QQMSZHORHNORLP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.786,228-364-8,6247-34-3,"4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","4-[(4-acetamidophenyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,"InChI=1/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)",C22H17N3O6S,,,,,,CKDSSRXGNPFPPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.794,228-373-7,6252-35-3,"2-(4-methyl-3-cyclohexen-1-yl)propane-1,2-diol","2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol",CC1=CCC(CC1)C(C)(O)CO,CC1=CCC(CC1)C(C)(O)CO,"InChI=1/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3",C10H18O2,,,,,,ZJALAEQNHJQSTN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.795,228-374-2,6252-57-9,"Tetrasodium 4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-6-sulphonatonaphthyl]azo]naphthyl]azo]naphthalene-2,7-disulphonate","tetrasodium 4-{[4-({4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O)c7ccccc78)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O)c7ccccc78)S([O-])(=O)=O,"InChI=1/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4",C46H31N7O14S4.4Na,,,,,,KQZDRGKMSIEFDF-UHFFFAOYSA-J,,,,,,,,,,,
100.025.796,228-375-8,6252-62-6,"Disodium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis(benzenesulphonate)","disodium 4,4'-{1,3-phenylenebis[diazene-2,1-diyl(4,6-diamino-3,1-phenylene)diazene-2,1-diyl]}dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5cc(N=Nc4cccc(N=Nc3cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)cc3N)c4)c(N)cc5N,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5cc(N=Nc4cccc(N=Nc3cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)cc3N)c4)c(N)cc5N,"InChI=1/C30H26N12O6S2.2Na/c31-23-13-25(33)29(15-27(23)39-35-17-4-8-21(9-5-17)49(43,44)45)41-37-19-2-1-3-20(12-19)38-42-30-16-28(24(32)14-26(30)34)40-36-18-6-10-22(11-7-18)50(46,47)48;;/h1-16H,31-34H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C30H26N12O6S2.2Na,,,,,,VTEBSADXXKSKOE-UHFFFAOYSA-L,,,,,,,,,,,
100.025.798,228-377-9,6252-76-2,"Hydrogen 9-(2-carboxylatophenyl)-3-(2-methylanilino)-6-(2-methyl-4-sulphoanilino)xanthylium, monosodium salt",sodium 4-({9-(2-carboxyphenyl)-6-[(2-methylphenyl)amino]-3H-xanthen-3-ylidene}amino)-3-methylbenzenesulfonate,Cc1ccccc1Nc2ccc3C(=C4C=CC(=Nc5ccc(cc5C)S(=O)(=O)O[Na])C=C4Oc3c2)c6ccccc6C(=O)O,Cc1ccccc1Nc2ccc3C(=C4C=CC(=Nc5ccc(cc5C)S(=O)(=O)O[Na])C=C4Oc3c2)c6ccccc6C(=O)O,"InChI=1/C34H26N2O6S.Na/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)43(39,40)41)12-15-28(32)33(27)25-8-4-5-9-26(25)34(37)38;/h3-19,35H,1-2H3,(H,37,38)(H,39,40,41);/q;+1/p-1/rC34H25N2NaO6S/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)44(40,41)43-37)12-15-28(32)33(27)25-8-4-5-9-26(25)34(38)39/h3-19,35H,1-2H3,(H,38,39)",C34H26N2O6S.Na,,,,,,FRCXWIMQWXXKSC-UHFFFAOYSA-M,,,,,,,,,,,
100.027.743,230-516-3,7168-18-5,Chlorphenoctium amsonate,"N-[(2,4-dichlorophenoxy)methyl]-N,N-dimethyloctan-1-aminium 5-amino-2-[2-(4-amino-2-sulfophenyl)vinyl]benzenesulfonate",Clc1cc(Cl)ccc1OC[N+](C)(C)CCCCCCCC.[O-]S(=O)(=O)c2cc(N)ccc2C=Cc1ccc(N)cc1S(O)(=O)=O,Clc1cc(Cl)ccc1OC[N+](C)(C)CCCCCCCC.[O-]S(=O)(=O)c2cc(N)ccc2C=Cc1ccc(N)cc1S(O)(=O)=O,"InChI=1/C17H28Cl2NO.C14H14N2O6S2/c1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q+1;/p-1",C17H28Cl2NO.C14H13N2O6S2,,,,,,GQCIBLGQUDFKGX-UHFFFAOYSA-M,,,,,,,,,,,
100.027.745,230-518-4,7170-38-9,3-phenoxypropionic acid,3-phenoxypropanoic acid,OC(=O)CCOc1ccccc1,OC(=O)CCOc1ccccc1,"InChI=1/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",C9H10O3,,,,,,BUSOTUQRURCMCM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.749,230-523-1,7170-76-5,"4,5-dimethylthiazol-2-amine monohydrobromide","4,5-dimethyl-1,3-thiazol-2-amine hydrobromide",Br.Cc1nc(N)sc1C,Br.Cc1nc(N)sc1C,"InChI=1/C5H8N2S.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H",C5H8N2S.BrH,,,,,,CATCJRCKBGAMKK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.502,232-457-9,8045-34-9,"Octadecanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol","3-hydroxy-2,2-bis(hydroxymethyl)propyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C23H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h24-26H,2-21H2,1H3",-,,,,,,TXQVDVNAKHFQPP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.162,228-778-9,6358-53-8,"1-[(2,5-dimethoxyphenyl)azo]-2-naphthol","1-[(2,5-dimethoxyphenyl)diazenyl]-2-naphthol",COc3ccc(cc3N=Nc1c2ccccc2ccc1O)OC,COc3ccc(cc3N=Nc1c2ccccc2ccc1O)OC,"InChI=1/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3",C18H16N2O3,,,,,,GJUABKCEXOMRPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.438,230-181-3,2/11/6968,"N,N'-dibenzyloxycarbonyl-L-cystine","N,N'-bis[(benzyloxy)carbonyl]-L-cystine",OC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2,OC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2,"InChI=1/C22H24N2O8S2/c25-19(26)17(23-21(29)31-11-15-7-3-1-4-8-15)13-33-34-14-18(20(27)28)24-22(30)32-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)",C22H24N2O8S2,,,,,,PTRQEEVKHMDMCF-ROUUACIJSA-N,,,,,,,,,,,
100.027.440,230-183-4,6968-28-1,4-bromophthalic acid,4-bromophthalic acid,OC(=O)c1ccc(Br)cc1C(=O)O,OC(=O)c1ccc(Br)cc1C(=O)O,"InChI=1/C8H5BrO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5BrO4,,,,,,AZXKGUVDIORSED-UHFFFAOYSA-N,,,,,,,,,,,
100.027.441,230-185-5,6968-62-3,"D-erythro-L-talo-octono-1,4-lactone","3,4-dihydroxy-5-(1,2,3,4-tetrahydroxybutyl)dihydrofuran-2(3H)-one (non-preferred name)",O[C@H]1C(=O)O[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1O,O[C@H]1C(=O)O[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1O,"InChI=1/C8H14O8/c9-1-2(10)3(11)4(12)7-5(13)6(14)8(15)16-7/h2-7,9-14H,1H2",C8H14O8,,,,,,NUYDBDGECBIUPJ-FJPOHGBRSA-N,,,,,,,,,,,
100.027.444,230-188-1,6968-75-8,"3-methyl-8,9,10-trinorborn-2-ylmethanol",(3-methylbicyclo[2.2.1]hept-2-yl)methanol,CC1C2CCC(C2)C1CO,CC1C2CCC(C2)C1CO,"InChI=1/C9H16O/c1-6-7-2-3-8(4-7)9(6)5-10/h6-10H,2-5H2,1H3",C9H16O,,,,,,NMGSGTKBIPOQSD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.190,226-609-3,5437-33-2,"3,5-dichloro-2-pyridone","3,5-dichloropyridin-2(1H)-one",ClC1=CNC(=O)C(=C1)Cl,ClC1=CNC(=O)C(=C1)Cl,"InChI=1/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)",C5H3Cl2NO,,,,,,ZICOPWJJZSJEDL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.194,226-614-0,5437-88-7,"4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide]","4,4'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide]",COc4cc(ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)c8ccc(N=Nc6c7ccccc7cc(C(=O)Nc5ccccc5OC)c6O)c(OC)c8,COc4cc(ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)c8ccc(N=Nc6c7ccccc7cc(C(=O)Nc5ccccc5OC)c6O)c(OC)c8,"InChI=1/C50H40N6O8/c1-61-41-19-11-9-17-37(41)51-49(59)35-25-31-13-5-7-15-33(31)45(47(35)57)55-53-39-23-21-29(27-43(39)63-3)30-22-24-40(44(28-30)64-4)54-56-46-34-16-8-6-14-32(34)26-36(48(46)58)50(60)52-38-18-10-12-20-42(38)62-2/h5-28,57-58H,1-4H3,(H,51,59)(H,52,60)",C50H40N6O8,,,,,,KLBVIRPOVIVOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.213,226-635-5,5442-32-0,"2,2'-trimethylenebisisothiouronium dibromide","(propane-1,3-diyldisulfanediyl)bis(aminomethaniminium) dibromide",[Br-].[Br-].NC(=[NH2+])SCCCSC(=[NH2+])N,[Br-].[Br-].NC(=[NH2+])SCCCSC(=[NH2+])N,"InChI=1/C5H12N4S2.2BrH/c6-4(7)10-2-1-3-11-5(8)9;;/h1-3H2,(H3,6,7)(H3,8,9);2*1H",C5H12N4S2.2BrH,,,,,,VKQIPFNBHQJEQV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.214,226-636-0,5442-40-0,N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide,N-(3-chlorophenyl)-3-hydroxy-2-naphthamide,Oc1cc2ccccc2cc1C(=O)Nc3cccc(Cl)c3,Oc1cc2ccccc2cc1C(=O)Nc3cccc(Cl)c3,"InChI=1/C17H12ClNO2/c18-13-6-3-7-14(10-13)19-17(21)15-8-11-4-1-2-5-12(11)9-16(15)20/h1-10,20H,(H,19,21)",C17H12ClNO2,,,,,,CUTAMZZNECWJOY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.216,226-638-1,5443-89-0,6-(pentylthio)-1H-purine,6-(pentylsulfanyl)-1H-purine,CCCCCSc1[nH]cnc2ncnc12,CCCCCSc1[nH]cnc2ncnc12,"InChI=1/C10H14N4S/c1-2-3-4-5-15-10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)",C10H14N4S,,,,,,UDXMVJZRHSMPEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.221,226-643-9,5445-19-2,Methyl 2-bromohexanoate,methyl 2-bromohexanoate,CCCCC(Br)C(=O)OC,CCCCC(Br)C(=O)OC,"InChI=1/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3",C7H13BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17073,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.221,YGLPDRIMFIXNBI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.223,226-646-5,5445-26-1,Ethyl 4-nitrophenylacetate,ethyl (4-nitrophenyl)acetate,CCOC(=O)Cc1ccc(cc1)[N+](=O)[O-],CCOC(=O)Cc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3",C10H11NO4,,,,,,DWDRNKYLWMKWTH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.231,226-654-9,5445-77-2,2-methyl-3-phenylpropionaldehyde,2-methyl-3-phenylpropanal,CC(Cc1ccccc1)C=O,CC(Cc1ccccc1)C=O,"InChI=1/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3",C10H12O,,,,,,HEPHYCJJLAUKSB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.234,226-658-0,1/07/5446,Sodium 2-(4-methoxyphenyl)hydrazinosulphonate,sodium 2-(4-methoxyphenyl)hydrazinesulfonate,[Na+].COc1ccc(NNS(=O)(=O)[O-])cc1,[Na+].COc1ccc(NNS(=O)(=O)[O-])cc1,"InChI=1/C7H10N2O4S.Na/c1-13-7-4-2-6(3-5-7)8-9-14(10,11)12;/h2-5,8-9H,1H3,(H,10,11,12);/q;+1/p-1",C7H10N2O4S.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18192,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.234,CKYWTHKZADVRRK-UHFFFAOYSA-M,,,,,,,,,,,
100.027.832,230-615-1,7218-80-6,"Erythromycin, 2'-(ethyl carbonate)","4-(dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-6-methyltetrahydro-2H-pyran-3-yl ethyl carbonate (non-preferred name)",CCOC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,CCOC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,"InChI=1/C40H71NO15/c1-15-27-40(11,48)32(43)22(5)29(42)20(3)18-38(9,47)34(56-36-31(55-37(46)50-16-2)26(41(12)13)17-21(4)51-36)23(6)30(24(7)35(45)53-27)54-28-19-39(10,49-14)33(44)25(8)52-28/h20-28,30-34,36,43-44,47-48H,15-19H2,1-14H3",C40H71NO15,,,,,,BSUQCLSFQSUNED-UHFFFAOYSA-N,,,,,,,,,,,
100.027.155,229-870-1,6797-50-8,2-isobutylbenzoxazole,"2-isobutyl-1,3-benzoxazole",CC(C)Cc1oc2ccccc2n1,CC(C)Cc1oc2ccccc2n1,"InChI=1/C11H13NO/c1-8(2)7-11-12-9-5-3-4-6-10(9)13-11/h3-6,8H,7H2,1-2H3",C11H13NO,,,,,,ZORIKMFUXMCILS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.160,229-875-9,6798-76-1,Zinc abietate,"zinc diabieta-7,13-dien-18-oate",[Zn+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4,[Zn+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4,"InChI=1/2C20H30O2.Zn/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2",C20H30O2.1/2Zn,,,,,,MXODCLTZTIFYDV-JHZYRPMRSA-L,,,,,,,,,,,
100.027.163,229-879-0,5/07/6804,Carbadox,"methyl 2-[(1,4-dioxidoquinoxalin-2-yl)methylene]hydrazinecarboxylate",COC(=O)NN=Cc2c[n+]([O-])c1ccccc1[n+]2[O-],COC(=O)NN=Cc2c[n+]([O-])c1ccccc1[n+]2[O-],"InChI=1/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)",C11H10N4O4,,,,,,OVGGLBAWFMIPPY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.169,229-885-3,6810-42-0,"N-hexadecyl-2-hydroxy-N,N-dimethylcyclohexanaminium","N-hexadecyl-2-hydroxy-N,N-dimethylcyclohexanaminium",CCCCCCCCCCCCCCCC[N+](C)(C)C1CCCCC1O,CCCCCCCCCCCCCCCC[N+](C)(C)C1CCCCC1O,"InChI=1/C24H50NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25(2,3)23-20-17-18-21-24(23)26/h23-24,26H,4-22H2,1-3H3/q+1",C24H50NO,,,,,,YPQVDFLBDPTGLB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.176,229-893-7,6/09/6819,Dipentyl sebacate,dipentyl sebacate,CCCCCOC(=O)CCCCCCCCC(=O)OCCCCC,CCCCCOC(=O)CCCCCCCCC(=O)OCCCCC,"InChI=1/C20H38O4/c1-3-5-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18-14-6-4-2/h3-18H2,1-2H3",C20H38O4,,,,,,WZURZWRVLHOHAS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.187,229-906-6,6829-42-1,Diethyl 3-methylglutarate,diethyl 3-methylpentanedioate,CCOC(=O)CC(C)CC(=O)OCC,CCOC(=O)CC(C)CC(=O)OCC,"InChI=1/C10H18O4/c1-4-13-9(11)6-8(3)7-10(12)14-5-2/h8H,4-7H2,1-3H3",C10H18O4,,,,,,SEWQUYBTRMDUQS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.701,216-171-1,1517-63-1,a-p-tolylbenzyl alcohol,(4-methylphenyl)(phenyl)methanol,Cc1ccc(cc1)C(O)c2ccccc2,Cc1ccc(cc1)C(O)c2ccccc2,"InChI=1/C14H14O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14-15H,1H3",C14H14O,,,,,,IHASOVONMUHDND-UHFFFAOYSA-N,,,,,,,,,,,
100.014.703,216-173-2,1518-15-6,"2,2'-(1,4-cyclohexanediylidene)bismalononitrile","2,2'-cyclohexane-1,4-diylidenedimalononitrile",N#CC(=C1CCC(=C(C#N)C#N)CC1)C#N,N#CC(=C1CCC(=C(C#N)C#N)CC1)C#N,InChI=1/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H2,C12H8N4,,,,,,NXQNMVFWIRBUHX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.707,216-177-4,1518-72-5,Diisobutyl disulphide,"1,1'-disulfanediylbis(2-methylpropane)",CC(C)CSSCC(C)C,CC(C)CSSCC(C)C,"InChI=1/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3",C8H18S2,,,,,,ONJROLGQWMBXAP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.708,216-179-5,1518-84-9,2-cyclopentylphenol,2-cyclopentylphenol,Oc1ccccc1C2CCCC2,Oc1ccccc1C2CCCC2,"InChI=1/C11H14O/c12-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2",C11H14O,,,,,,JHEKSKQMOBLXQS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.712,216-183-7,1519-46-6,"[1,2-phenylenebis(methylene)]bis[triphenylphosphonium] dibromide","[1,2-phenylenebis(methylene)]bis(triphenylphosphonium) dibromide",[Br-].[Br-].C(c1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)[P+](c5ccccc5)(c6ccccc6)c7ccccc7,[Br-].[Br-].C(c1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)[P+](c5ccccc5)(c6ccccc6)c7ccccc7,"InChI=1/C44H38P2.2BrH/c1-7-23-39(24-8-1)45(40-25-9-2-10-26-40,41-27-11-3-12-28-41)35-37-21-19-20-22-38(37)36-46(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2",C44H38P2.2Br,,,,,,MXCBXCYGWQAOSN-UHFFFAOYSA-L,,,,,,,,,,,
100.014.713,216-184-2,1519-47-7,[p-phenylenebis(methylene)]bis[triphenylphosphonium] dichloride,"[1,4-phenylenebis(methylene)]bis(triphenylphosphonium) dichloride",[Cl-].[Cl-].C(c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1)[P+](c5ccccc5)(c6ccccc6)c7ccccc7,[Cl-].[Cl-].C(c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1)[P+](c5ccccc5)(c6ccccc6)c7ccccc7,"InChI=1/C44H38P2.2ClH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2",C44H38P2.2Cl,,,,,,IUNJPQCPINLADS-UHFFFAOYSA-L,,,,,,,,,,,
100.014.718,216-190-5,1521-41-1,"3,4-dimethoxybenzamide","3,4-dimethoxybenzamide",COc1ccc(cc1OC)C(=O)N,COc1ccc(cc1OC)C(=O)N,"InChI=1/C9H11NO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H2,10,11)",C9H11NO3,,,,,,XNDZRGTVUVVHQT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.720,216-192-6,1522-46-9,Ethyl 2-acetyl-3-methylbutyrate,ethyl 2-acetyl-3-methylbutanoate,CCOC(=O)C(C(C)C)C(=O)C,CCOC(=O)C(C(C)C)C(=O)C,"InChI=1/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3",C9H16O3,,,,,,DMIFFKCVURTPTG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.721,216-193-1,1523-04-2,(morpholin-4-yl)methyl acetate,morpholin-4-ylmethyl acetate,CC(=O)OCN1CCOCC1,CC(=O)OCN1CCOCC1,"InChI=1/C7H13NO3/c1-7(9)11-6-8-2-4-10-5-3-8/h2-6H2,1H3",C7H13NO3,,,,,,QWMXDVGJULYARE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.727,216-199-4,1526-17-6,2-fluoro-6-nitrophenol,2-fluoro-6-nitrophenol,Oc1c(F)cccc1[N+](=O)[O-],Oc1c(F)cccc1[N+](=O)[O-],"InChI=1/C6H4FNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H",C6H4FNO3,,,,,,HIGRXCJEFUYRNW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.735,228-308-2,6222-65-7,"1-amino-4-(4-aminoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-aminophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,"InChI=1/C20H15N3O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,21-22H2,(H,26,27,28)",C20H15N3O5S,,,,,,ZCQMYMXRGJWSHH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.743,228-317-1,6226-74-0,Disodium 7-hydroxy-8-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-hydroxy-8-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4cc(ccc4ccc3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4cc(ccc4ccc3O)S([O-])(=O)=O,"InChI=1/C22H16N4O7S2.2Na/c27-21-12-2-14-1-9-19(35(31,32)33)13-20(14)22(21)26-25-16-5-3-15(4-6-16)23-24-17-7-10-18(11-8-17)34(28,29)30;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C22H16N4O7S2.2Na,,,,,,JUNJEICOYHRSJS-UHFFFAOYSA-L,,,,,,,,,,,
100.025.745,228-319-2,6226-79-5,"Tetrasodium 3-hydroxy-4-(2-sulphonato-4-(4-sulphonatophenylazo)phenylazo)naphthalene-2,7-disulphonate","tetrasodium 3-hydroxy-4-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4",C22H16N4O13S4.4Na,,,,,,KQHKSGRIBYJYFX-UHFFFAOYSA-J,,,,,,,,,,,
100.027.378,230-115-3,6948-86-3,"N,N-bis(2,2-diethoxyethyl)methylamine","N-(2,2-diethoxyethyl)-2,2-diethoxy-N-methylethanamine",CCOC(CN(C)CC(OCC)OCC)OCC,CCOC(CN(C)CC(OCC)OCC)OCC,"InChI=1/C13H29NO4/c1-6-15-12(16-7-2)10-14(5)11-13(17-8-3)18-9-4/h12-13H,6-11H2,1-5H3",C13H29NO4,,,,,,DPLOXPRJCFWURN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.390,230-128-4,6952-63-2,(Z)-N-octadecyl-9-octadecenamide,N-octadecyloctadec-9-enamide,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C36H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-35H2,1-2H3,(H,37,38)",C36H71NO,,,,,,VZGOTNLOZGRSJA-ZZEZOPTASA-N,,,,,,,,,,,
100.027.392,230-131-0,6952-91-6,p-cumenyl cyclopropyl ketone,cyclopropyl(4-isopropylphenyl)methanone,CC(C)c1ccc(cc1)C(=O)C2CC2,CC(C)c1ccc(cc1)C(=O)C2CC2,"InChI=1/C13H16O/c1-9(2)10-3-5-11(6-4-10)13(14)12-7-8-12/h3-6,9,12H,7-8H2,1-2H3",C13H16O,,,,,,CMKCTUAFZPHYTE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.393,230-132-6,6952-93-8,Cyclopropanecarbohydrazide,cyclopropanecarbohydrazide,NNC(=O)C1CC1,NNC(=O)C1CC1,"InChI=1/C4H8N2O/c5-6-4(7)3-1-2-3/h3H,1-2,5H2,(H,6,7)",C4H8N2O,,,,,,JFYKIEHOOZWARC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.136,226-549-8,4/07/5423,"Disodium 2-(2,4-dinitrophenylazo)-1-hydroxynaphthalene-3,6-disulphonate","disodium 3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc2c(cc1cc(ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(c3)[N+]([O-])=O,[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc2c(cc1cc(ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(c3)[N+]([O-])=O,"InChI=1/C16H10N4O11S2.2Na/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25;;/h1-7,21H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C16H10N4O11S2.2Na,,,,,,XBLIFEQTVVSTIM-UHFFFAOYSA-L,,,,,,,,,,,
100.024.141,226-555-0,5423-61-0,"Adipic acid, compound with 1,4-bis(3-aminopropyl)piperazine (1:1)","hexanedioic acid - 3,3'-piperazine-1,4-diyldipropan-1-amine (1:1)",NCCCN1CCN(CCCN)CC1.OC(=O)CCCCC(=O)O,NCCCN1CCN(CCCN)CC1.OC(=O)CCCCC(=O)O,"InChI=1/C10H24N4.C6H10O4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;7-5(8)3-1-2-4-6(9)10/h1-12H2;1-4H2,(H,7,8)(H,9,10)",C10H24N4.C6H10O4,,,,,,ZWPKWMGPJWNIKP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.145,226-559-2,6/06/5424,"1,2,4-benzotriazin-3-amine 1-oxide","1,2,4-benzotriazin-3-amine 1-oxide",Nc1nc2ccccc2[n+]([O-])n1,Nc1nc2ccccc2[n+]([O-])n1,"InChI=1/C7H6N4O/c8-7-9-5-3-1-2-4-6(5)11(12)10-7/h1-4H,(H2,8,9,10)",C7H6N4O,,,,,,BBRWGJRKAHEZBG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.151,226-566-0,5424-37-3,"1,3-bis(4-amino-2-methyl-6-quinolyl)urea dihydrochloride","1,3-bis(4-amino-2-methylquinolin-6-yl)urea dihydrochloride",Cl.Cl.Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1,Cl.Cl.Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1,"InChI=1/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H",C21H20N6O.2ClH,,,,,,GKQYGRWQCWWSHN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.152,226-567-6,5424-54-4,"2,4-bis[(dimethylamino)methyl]phenol","2,4-bis[(dimethylamino)methyl]phenol",CN(C)Cc1ccc(O)c(CN(C)C)c1,CN(C)Cc1ccc(O)c(CN(C)C)c1,"InChI=1/C12H20N2O/c1-13(2)8-10-5-6-12(15)11(7-10)9-14(3)4/h5-7,15H,8-9H2,1-4H3",C12H20N2O,,,,,,IVJXXQSXKSRPIL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.166,228-783-6,6358-69-6,"Trisodium 8-hydroxypyrene-1,3,6-trisulphonate","trisodium 8-hydroxypyrene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].Oc1cc(c2ccc3c(cc(c4ccc1c2c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Oc1cc(c2ccc3c(cc(c4ccc1c2c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H10O10S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3",C16H10O10S3.3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17360,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.166,KXXXUIKPSVVSAW-UHFFFAOYSA-K,,,,,,,,,,,
100.026.170,228-787-8,6358-85-6,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-oxo-N-phenylbutanamide)",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c4,"InChI=1/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)",C32H26Cl2N6O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15824,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.170,GNCOVOVCHIHPHP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.172,228-789-9,6358-88-9,"2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]","2,2'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-oxo-N-phenylbutanamide)",CC(=O)C(N=Nc1ccc(cc1C)c3ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2)c(C)c3)C(=O)Nc4ccccc4,CC(=O)C(N=Nc1ccc(cc1C)c3ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2)c(C)c3)C(=O)Nc4ccccc4,"InChI=1/C34H32N6O4/c1-21-19-25(15-17-29(21)37-39-31(23(3)41)33(43)35-27-11-7-5-8-12-27)26-16-18-30(22(2)20-26)38-40-32(24(4)42)34(44)36-28-13-9-6-10-14-28/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)",C34H32N6O4,,,,,,XRCLOLLTHNRVRB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.180,228-798-8,6359-31-5,"2-[3-(1,3-dihydro-5-methoxy-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-5-methoxy-1,3,3-trimethyl-3H-indolium chloride","5-methoxy-2-[3-(5-methoxy-1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-1,3,3-trimethyl-3H-indolium chloride",[Cl-].C[N+]=4c1ccc(OC)cc1C(C)(C)C=4C=CC=C3N(C)c2ccc(cc2C3(C)C)OC,[Cl-].C[N+]=4c1ccc(OC)cc1C(C)(C)C=4C=CC=C3N(C)c2ccc(cc2C3(C)C)OC,"InChI=1/C27H33N2O2.ClH/c1-26(2)20-16-18(30-7)12-14-22(20)28(5)24(26)10-9-11-25-27(3,4)21-17-19(31-8)13-15-23(21)29(25)6;/h9-17H,1-8H3;1H/q+1;/p-1",C27H33N2O2.Cl,,,,,,ZRYKXHLKPKDHTL-UHFFFAOYSA-M,,,,,,,,,,,
100.026.183,228-801-2,6359-51-9,"Trisodium 5-[[2-[4,5-dihydro-3-methyl-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazol-1-yl]-4-sulphonatophenyl]sulphonyl]salicylate","trisodium 2-hydroxy-5-[(2-{3-methyl-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazol-1-yl}-4-sulfonatophenyl)sulfonyl]benzoate",[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2N4/N=C(/C)C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2N4/N=C(/C)C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)S([O-])(=O)=O,"InChI=1/C23H18N4O12S3.3Na/c1-12-21(25-24-16-4-2-3-5-19(16)42(37,38)39)22(29)27(26-12)17-11-14(41(34,35)36)7-9-20(17)40(32,33)13-6-8-18(28)15(10-13)23(30)31;;;/h2-11,21,28H,1H3,(H,30,31)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3",C23H18N4O12S3.3Na,,,,,,CCTIIXINPKYGPN-UHFFFAOYSA-K,,,,,,,,,,,
100.026.184,228-802-8,6359-55-3,"Sodium 5-chloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]toluene-3-sulphonate","sodium 3-chloro-2-{4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-5-methylbenzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(C)cc(Cl)c3N2/N=C(/C)C(N=Nc1ccccc1Cl)C2=O,[Na+].[O-]S(=O)(=O)c3cc(C)cc(Cl)c3N2/N=C(/C)C(N=Nc1ccccc1Cl)C2=O,"InChI=1/C17H14Cl2N4O4S.Na/c1-9-7-12(19)16(14(8-9)28(25,26)27)23-17(24)15(10(2)22-23)21-20-13-6-4-3-5-11(13)18;/h3-8,15H,1-2H3,(H,25,26,27);/q;+1/p-1",C17H14Cl2N4O4S.Na,,,,,,VOTDNULURGVONZ-UHFFFAOYSA-M,,,,,,,,,,,
100.027.360,230-096-1,6941-69-1,Ethylene bis(chloroacetate),"ethane-1,2-diyl bis(chloroacetate)",ClCC(=O)OCCOC(=O)CCl,ClCC(=O)OCCOC(=O)CCl,InChI=1/C6H8Cl2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2,C6H8Cl2O4,,,,,,HIIBHBNRMVLLKH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.367,230-103-8,6945-36-4,4-(hydroxyimino)valeric acid,4-(hydroxyimino)pentanoic acid,OC(=O)CCC(C)=NO,OC(=O)CCC(C)=NO,"InChI=1/C5H9NO3/c1-4(6-9)2-3-5(7)8/h9H,2-3H2,1H3,(H,7,8)",C5H9NO3,,,,,,AESJFNDOKWHJAH-UHFFFAOYSA-N,,,,,,,,,,,
100.029.013,231-915-5,7778-80-5,Potassium sulfate,dipotassium sulfate,[K+].[K+].[O-]S(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)[O-],"InChI=1/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O4S.2K,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15527,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.013,OTYBMLCTZGSZBG-UHFFFAOYSA-L,,,,,,,,,,,
100.029.015,231-917-6,7778-87-2,Propyl heptanoate,propyl heptanoate,CCCCCCC(=O)OCCC,CCCCCCC(=O)OCCC,"InChI=1/C10H20O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-9H2,1-2H3",C10H20O2,,,,,,UWZVPQKWYFZLLW-UHFFFAOYSA-N,,,,,,,,,,,
100.029.024,231-927-0,7779-31-9,"3,3,5-trimethylcyclohexyl methacrylate","3,3,5-trimethylcyclohexyl methacrylate",CC1CC(CC(C)(C)C1)OC(=O)C(=C)C,CC1CC(CC(C)(C)C1)OC(=O)C(=C)C,"InChI=1/C13H22O2/c1-9(2)12(14)15-11-6-10(3)7-13(4,5)8-11/h10-11H,1,6-8H2,2-5H3",C13H22O2,,,,,,DABQKEQFLJIRHU-UHFFFAOYSA-N,,,,,,,,,,,
100.029.029,231-932-8,7779-67-1,3-methylbutyl furan-2-propionate,3-methylbutyl 3-(2-furyl)propanoate,CC(C)CCOC(=O)CCc1occc1,CC(C)CCOC(=O)CCc1occc1,"InChI=1/C12H18O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-4,8,10H,5-7,9H2,1-2H3",C12H18O3,,,,,,ZVMWAVZRUZDYMV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.833,230-616-7,7218-82-8,"2,2'-[(3,3'-dimethyl-4,4'-biphenylylene)bis(azo)]bis[4-(1,1,3,3-tetramethylbutyl)phenol]","2,2'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[4-(1,1,3,3-tetramethylbutyl)phenol]",Cc1cc(ccc1N=Nc2cc(ccc2O)C(C)(C)CC(C)(C)C)c3ccc(N=Nc4cc(ccc4O)C(C)(C)CC(C)(C)C)c(C)c3,Cc1cc(ccc1N=Nc2cc(ccc2O)C(C)(C)CC(C)(C)C)c3ccc(N=Nc4cc(ccc4O)C(C)(C)CC(C)(C)C)c(C)c3,"InChI=1/C42H54N4O2/c1-27-21-29(13-17-33(27)43-45-35-23-31(15-19-37(35)47)41(9,10)25-39(3,4)5)30-14-18-34(28(2)22-30)44-46-36-24-32(16-20-38(36)48)42(11,12)26-40(6,7)8/h13-24,47-48H,25-26H2,1-12H3",C42H54N4O2,,,,,,ZURBUQJXNBJVPB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.836,230-619-3,7221-40-1,Benzyl(2-hydroxyethyl)dimethylammonium chloride,"N-benzyl-2-hydroxy-N,N-dimethylethanaminium chloride",[Cl-].C[N+](C)(CCO)Cc1ccccc1,[Cl-].C[N+](C)(CCO)Cc1ccccc1,"InChI=1/C11H18NO.ClH/c1-12(2,8-9-13)10-11-6-4-3-5-7-11;/h3-7,13H,8-10H2,1-2H3;1H/q+1;/p-1",C11H18NO.Cl,,,,,,NUPDFKWZQURWCC-UHFFFAOYSA-M,,,,,,,,,,,
100.027.843,230-627-7,7227-91-0,"3,3-dimethyl-1-phenyltriazene","3,3-dimethyl-1-phenyltriaz-1-ene",CN(C)N=Nc1ccccc1,CN(C)N=Nc1ccccc1,"InChI=1/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11N3,,,,,,LLROQAGEAVDYFP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.848,230-632-4,7230-93-5,Aluminium trilaurate,aluminum tridodecanoate,[Al+3].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/3C12H24O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);/q;;;+3/p-3",C12H24O2.1/3Al,,,,,,KMJRBSYFFVNPPK-UHFFFAOYSA-K,,,,,,,,,,,
100.027.851,230-636-6,7235-40-7,"ß,ß-carotene","beta,beta-carotene",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C1=C(C)CCCC1(C)C)\\C=C\\C=C(/C)\\C=C\\C2=C(C)CCCC2(C)C,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C,"InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",C40H56,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10033,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.851,OENHQHLEOONYIE-JLTXGRSLSA-N,,,,,,,,,,,
100.027.853,230-638-7,7237-83-4,"Tris(oxiranylmethyl) benzene-1,2,4-tricarboxylate","tris(oxiran-2-ylmethyl) benzene-1,2,4-tricarboxylate",O=C(OCC1CO1)c2ccc(C(=O)OCC3CO3)c(c2)C(=O)OCC4CO4,O=C(OCC1CO1)c2ccc(C(=O)OCC3CO3)c(c2)C(=O)OCC4CO4,"InChI=1/C18H18O9/c19-16(25-7-11-4-22-11)10-1-2-14(17(20)26-8-12-5-23-12)15(3-10)18(21)27-9-13-6-24-13/h1-3,11-13H,4-9H2",C18H18O9,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5788,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.853,YNOWBNNLZSSIHM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.863,230-649-7,7244-67-9,Methyl N-benzoyl-L-alaninate,methyl N-benzoyl-L-alaninate,COC(=O)[C@H](C)NC(=O)c1ccccc1,COC(=O)[C@H](C)NC(=O)c1ccccc1,"InChI=1/C11H13NO3/c1-8(11(14)15-2)12-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)",C11H13NO3,,,,,,QRDFLIILGVFYCF-QMMMGPOBSA-N,,,,,,,,,,,
100.027.865,230-651-8,3/07/7246,Sodium 8-ethoxyquinoline-5-sulphonate,sodium 8-ethoxyquinoline-5-sulfonate,[Na+].CCOc1ccc(c2cccnc12)S(=O)(=O)[O-],[Na+].CCOc1ccc(c2cccnc12)S(=O)(=O)[O-],"InChI=1/C11H11NO4S.Na/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9;/h3-7H,2H2,1H3,(H,13,14,15);/q;+1/p-1",C11H11NO4S.Na,,,,,,KGBPIIYKHSGTAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.027.869,230-656-5,7248-28-4,"Strychnidin-10-one, 19-oxide","6,7,7a,8,8a,11,12a,12b,12c,13-decahydro-5H,14H-7,9-methano-12-oxa-7,14a-diazacyclohepta[1,2,3-cd]cyclopenta[g]fluoranthen-14-one 7-oxide",[O-][N+]12CC[C@@]34[C@@H]1C[C@@H]5[C@H]6[C@H](CC(=O)N([C@H]36)c7ccccc47)OCC=C5C2,[O-][N+]12CC[C@@]34[C@@H]1C[C@@H]5[C@H]6[C@H](CC(=O)N([C@H]36)c7ccccc47)OCC=C5C2,"InChI=1/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2",C21H22N2O3,,,,,,ADTDBAKUQAKBGZ-VXJIXCKJSA-N,,,,,,,,,,,
100.027.871,230-658-6,7249-54-9,2-hydroxypropyl heptanoate,2-hydroxypropyl heptanoate,CCCCCCC(=O)OCC(C)O,CCCCCCC(=O)OCC(C)O,"InChI=1/C10H20O3/c1-3-4-5-6-7-10(12)13-8-9(2)11/h9,11H,3-8H2,1-2H3",C10H20O3,,,,,,DZOOROWXIIPFGA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.873,230-660-7,7250-67-1,N-(2-chloroethyl)pyrrolidine hydrochloride,1-(2-chloroethyl)pyrrolidine hydrochloride,Cl.ClCCN1CCCC1,Cl.ClCCN1CCCC1,InChI=1/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H,C6H12ClN.ClH,,,,,,FSNGFFWICFYWQC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.874,230-661-2,7250-71-7,3-phenoxypropylene di(acetate),"3-phenoxypropane-1,2-diyl diacetate",CC(=O)OCC(COc1ccccc1)OC(=O)C,CC(=O)OCC(COc1ccccc1)OC(=O)C,"InChI=1/C13H16O5/c1-10(14)16-8-13(18-11(2)15)9-17-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3",C13H16O5,,,,,,MFUHTALWGBAVOL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.589,227-047-1,5/04/5619,Methyl DL-serinate hydrochloride,methyl L-serinate hydrochloride,Cl.COC(=O)[C@@H](N)CO,Cl.COC(=O)[C@@H](N)CO,"InChI=1/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H",C4H9NO3.ClH,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5645,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.589,NDBQJIBNNUJNHA-DFWYDOINSA-N,,,,,,,,,,,
100.024.593,227-051-3,1/04/5623,Anthranilohydroxamic acid,2-amino-N-hydroxybenzamide,Nc1ccccc1C(=O)NO,Nc1ccccc1C(=O)NO,"InChI=1/C7H8N2O2/c8-6-4-2-1-3-5(6)7(10)9-11/h1-4,11H,8H2,(H,9,10)",C7H8N2O2,,,,,,VMKPDXOZTSISIW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.728,216-200-8,1527-12-4,2-(phenylthio)benzoic acid,2-(phenylsulfanyl)benzoic acid,OC(=O)c1ccccc1Sc2ccccc2,OC(=O)c1ccccc1Sc2ccccc2,"InChI=1/C13H10O2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)",C13H10O2S,,,,,,PMLBXJKQYSENQH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.731,216-203-4,1528-30-9,Methylenecyclopentane,methylenecyclopentane,C=C1CCCC1,C=C1CCCC1,InChI=1/C6H10/c1-6-4-2-3-5-6/h1-5H2,C6H10,,,,,,NFJPEKRRHIYYES-UHFFFAOYSA-N,,,,,,,,,,,
100.014.732,216-205-5,1528-34-3,2'-(1-oxopropyl)propionohydrazide,N'-propionylpropanehydrazide,CCC(=O)NNC(=O)CC,CCC(=O)NNC(=O)CC,"InChI=1/C6H12N2O2/c1-3-5(9)7-8-6(10)4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)",C6H12N2O2,,,,,,DDPOPNULNSDSKL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.738,216-211-8,1529-17-5,Trimethylphenoxysilane,trimethyl(phenoxy)silane,C[Si](C)(C)Oc1ccccc1,C[Si](C)(C)Oc1ccccc1,"InChI=1/C9H14OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3",C9H14OSi,,,,,,OJAJJFGMKAZGRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.739,216-212-3,1529-40-4,9H-fluorene-9-carbonitrile,9H-fluorene-9-carbonitrile,N#CC1c2ccccc2c3ccccc13,N#CC1c2ccccc2c3ccccc13,"InChI=1/C14H9N/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H",C14H9N,,,,,,CJVMCKCMPQEKPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.740,216-213-9,1529-41-5,3-chlorophenylacetonitrile,(3-chlorophenyl)acetonitrile,Clc1cccc(CC#N)c1,Clc1cccc(CC#N)c1,"InChI=1/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2",C8H6ClN,,,,,,GTIKLPYCSAMPNG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.742,216-216-5,1529-48-2,Dichlorodimethylgermane,dichloro(dimethyl)germane,C[Ge](C)(Cl)Cl,C[Ge](C)(Cl)Cl,"InChI=1/C2H6Cl2Ge/c1-5(2,3)4/h1-2H3",C2H6Cl2Ge,,,,,,YQECBLVSMFAWIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.982,225-280-3,4754-27-2,a-methylpyridine-3-methanol,1-pyridin-3-ylethanol,CC(O)c1cccnc1,CC(O)c1cccnc1,"InChI=1/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3",C7H9NO,,,,,,QMDUEBURHKSKDG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.983,225-281-9,4754-44-3,Tetradecyl hydrogen sulphate,tetradecyl hydrogen sulfate,CCCCCCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCCCCCOS(=O)(=O)O,"InChI=1/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)",C14H30O4S,,,,,,URLJMZWTXZTZRR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.985,225-284-5,4755-72-0,Chloro(phenyl)acetic acid,chloro(phenyl)acetic acid,OC(=O)C(Cl)c1ccccc1,OC(=O)C(Cl)c1ccccc1,"InChI=1/C8H7ClO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)",C8H7ClO2,,,,,,QKSGIGXOKHZCQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.990,225-289-2,4756-19-8,3-(p-cumenyl)-2-methylpropanol,3-(4-isopropylphenyl)-2-methylpropan-1-ol,CC(CO)Cc1ccc(cc1)C(C)C,CC(CO)Cc1ccc(cc1)C(C)C,"InChI=1/C13H20O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11,14H,8-9H2,1-3H3",C13H20O,,,,,,RQRYGVZUUYYXGA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.991,225-290-8,4756-45-0,2-(2-hydroxy-4-methoxybenzoyl)benzoic acid,2-(2-hydroxy-4-methoxybenzoyl)benzoic acid,COc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,COc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,"InChI=1/C15H12O5/c1-20-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8,16H,1H3,(H,18,19)",C15H12O5,,,,,,JLZIIHMTTRXXIN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.994,225-293-4,4756-92-7,"5,6-dihydro-1H,4H-acenaphtho[1,8a-c]pyrrole-1,3,10(2H,10aH)-trione","4,6-dihydro-1H,5H-acenaphtho[1,8a-c]pyrrole-1,3,10(2H,3aH)-trione",O=C1NC(=O)C23C1CC4=C2C(=CCC4)C=CC3=O,O=C1NC(=O)C23C1CC4=C2C(=CCC4)C=CC3=O,"InChI=1/C14H11NO3/c16-10-5-4-7-2-1-3-8-6-9-12(17)15-13(18)14(9,10)11(7)8/h2,4-5,9H,1,3,6H2,(H,15,17,18)",C14H11NO3,,,,,,GUVSNZPBPIOFSA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.995,225-295-5,4757-23-7,"2-(4-methylphenyl)-1,3-dioxan-5-ol","2-(4-methylphenyl)-1,3-dioxan-5-ol",Cc1ccc(cc1)C2OCC(O)CO2,Cc1ccc(cc1)C2OCC(O)CO2,"InChI=1/C11H14O3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11/h2-5,10-12H,6-7H2,1H3",C11H14O3,,,,,,IIDQVIGMKXQUDM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.130,225-443-9,4851-50-7,"1,4-bis[[4-(1,1-dimethylethyl)phenyl]amino]-5,8-dihydroxyanthraquinone","1,4-bis[(4-tert-butylphenyl)amino]-5,8-dihydroxy-9,10-anthraquinone",CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3)C(C)(C)C)c4C(=O)c5c(O)ccc(O)c5C(=O)c24)cc1,CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3)C(C)(C)C)c4C(=O)c5c(O)ccc(O)c5C(=O)c24)cc1,"InChI=1/C34H34N2O4/c1-33(2,3)19-7-11-21(12-8-19)35-23-15-16-24(36-22-13-9-20(10-14-22)34(4,5)6)28-27(23)31(39)29-25(37)17-18-26(38)30(29)32(28)40/h7-18,35-38H,1-6H3",C34H34N2O4,,,,,,KWBCXNHXXWZCMM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.131,225-444-4,4852-19-1,"1,3-diallyl-6-aminouracil monohydrate","1,3-diallyl-6-aminopyrimidine-2,4(1H,3H)-dione hydrate",O.NC1=CC(=O)N(CC=C)C(=O)N1CC=C,O.NC1=CC(=O)N(CC=C)C(=O)N1CC=C,"InChI=1/C10H13N3O2.H2O/c1-3-5-12-8(11)7-9(14)13(6-4-2)10(12)15;/h3-4,7H,1-2,5-6,11H2;1H2",C10H13N3O2,,,,,,PRXGTVRJMOEDCX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.132,225-446-5,4852-21-5,1-allyl-6-aminouracil,"1-allyl-6-aminopyrimidine-2,4(1H,3H)-dione",NC1=CC(=O)NC(=O)N1CC=C,NC1=CC(=O)NC(=O)N1CC=C,"InChI=1/C7H9N3O2/c1-2-3-10-5(8)4-6(11)9-7(10)12/h2,4H,1,3,8H2,(H,9,11,12)",C7H9N3O2,,,,,,AKFKDSLOOZBRQP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.154,226-569-7,5425-62-7,4-(2-chloroacetamido)phenylarsonic acid,{4-[(chloroacetyl)amino]phenyl}arsonic acid,O[As](=O)(O)c1ccc(NC(=O)CCl)cc1,O[As](=O)(O)c1ccc(NC(=O)CCl)cc1,"InChI=1/C8H9AsClNO4/c10-5-8(12)11-7-3-1-6(2-4-7)9(13,14)15/h1-4H,5H2,(H,11,12)(H2,13,14,15)",C8H9AsClNO4,,,,,,BWPMHDNLIGQVLN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.155,226-570-2,5/09/5426,"3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione","3a,4,7,7a-tetrahydro-4,7-epoxy-2-benzofuran-1,3-dione",O=C1OC(=O)C2C3OC(C=C3)C12,O=C1OC(=O)C2C3OC(C=C3)C12,InChI=1/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H,C8H6O4,,,,,,QQYNRBAAQFZCLF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.157,226-572-3,5426-78-8,a-ethoxyphenetole,(1-ethoxyethoxy)benzene,CCOC(C)Oc1ccccc1,CCOC(C)Oc1ccccc1,"InChI=1/C10H14O2/c1-3-11-9(2)12-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",C10H14O2,,,,,,WDAPDTRODNUPPB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.161,226-577-0,5427-30-5,(3-aminophenyl)phosphonic acid,(3-aminophenyl)phosphonic acid,Nc1cccc(c1)P(=O)(O)O,Nc1cccc(c1)P(=O)(O)O,"InChI=1/C6H8NO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",C6H8NO3P,,,,,,MZZQBSHNCYWSTL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.162,226-578-6,5427-46-3,"N-[2-(diethylamino)ethyl]-N',N'-diethyl-N-phenylethylenediamine","N-[2-(diethylamino)ethyl]-N',N'-diethyl-N-phenylethane-1,2-diamine",CCN(CC)CCN(CCN(CC)CC)c1ccccc1,CCN(CC)CCN(CCN(CC)CC)c1ccccc1,"InChI=1/C18H33N3/c1-5-19(6-2)14-16-21(17-15-20(7-3)8-4)18-12-10-9-11-13-18/h9-13H,5-8,14-17H2,1-4H3",C18H33N3,,,,,,FPVVUDMZUOYOEU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.172,226-589-6,5431-44-7,"Pyridine-2,6-dicarbaldehyde","pyridine-2,6-dicarbaldehyde",O=Cc1cccc(C=O)n1,O=Cc1cccc(C=O)n1,InChI=1/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H,C7H5NO2,,,,,,PMWXGSWIOOVHEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.174,226-591-7,5432-66-6,Isobutyl phenoxyacetate,isobutyl phenoxyacetate,CC(C)COC(=O)COc1ccccc1,CC(C)COC(=O)COc1ccccc1,"InChI=1/C12H16O3/c1-10(2)8-15-12(13)9-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O3,,,,,,YTQQLZPYNUPPNM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.175,226-592-2,5432-85-9,4-isopropylcyclohexan-1-one,4-isopropylcyclohexanone,CC(C)C1CCC(=O)CC1,CC(C)C1CCC(=O)CC1,"InChI=1/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3",C9H16O,,,,,,FPKISACHVIIMRA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.176,226-593-8,5432-99-5,"N,N'-bis[4-(tert-butyl)phenyl]benzene-1,4-diamine","N,N'-bis(4-tert-butylphenyl)benzene-1,4-diamine",CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3)C(C)(C)C)cc2)cc1,CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3)C(C)(C)C)cc2)cc1,"InChI=1/C26H32N2/c1-25(2,3)19-7-11-21(12-8-19)27-23-15-17-24(18-16-23)28-22-13-9-20(10-14-22)26(4,5)6/h7-18,27-28H,1-6H3",C28H36N2,,,,,,RHAQEUSTCCHDAB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.178,226-595-9,5434-20-8,3-aminophthalic acid,3-aminophthalic acid,Nc1cccc(C(=O)O)c1C(=O)O,Nc1cccc(C(=O)O)c1C(=O)O,"InChI=1/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",C8H7NO4,,,,,,WGLQHUKCXBXUDV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.179,226-596-4,5434-21-9,4-aminophthalic acid,4-aminophthalic acid,Nc1ccc(C(=O)O)c(c1)C(=O)O,Nc1ccc(C(=O)O)c(c1)C(=O)O,"InChI=1/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",C8H7NO4,,,,,,OXSANYRLJHSQEP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.180,226-598-5,5434-27-5,"1,3-dibromo-2,2-dimethylpropane","1,3-dibromo-2,2-dimethylpropane",CC(C)(CBr)CBr,CC(C)(CBr)CBr,"InChI=1/C5H10Br2/c1-5(2,3-6)4-7/h3-4H2,1-2H3",C5H10Br2,,,,,,UXAFLFGXSIWWMY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.181,226-599-0,5434-30-0,5'-amino-2'-methylacetanilide,N-(5-amino-2-methylphenyl)acetamide,CC(=O)Nc1cc(N)ccc1C,CC(=O)Nc1cc(N)ccc1C,"InChI=1/C9H12N2O/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)",C9H12N2O,,,,,,UAZGSMMESOKKQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.184,226-603-0,5435-64-3,"3,5,5-trimethylhexanal","3,5,5-trimethylhexanal",CC(CC=O)CC(C)(C)C,CC(CC=O)CC(C)(C)C,"InChI=1/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3",C9H18O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1150,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.184,WTPYRCJDOZVZON-UHFFFAOYSA-N,,,,,,,,,,,
100.024.186,226-605-1,5436-21-5,"4,4-dimethoxybutanone","4,4-dimethoxybutan-2-one",COC(CC(=O)C)OC,COC(CC(=O)C)OC,"InChI=1/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3",C6H12O3,,,,,,PJCCSZUMZMCWSX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.784,230-561-9,7194-87-8,Hentetracontane,hentetracontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C41H84/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3",C41H84,,,,,,IMQDQLFUWRBGGN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.788,230-566-6,7195-45-1,"Bis(2,3-epoxypropyl) phthalate",bis(oxiran-2-ylmethyl) phthalate,O=C(OCC1CO1)c2ccccc2C(=O)OCC3CO3,O=C(OCC1CO1)c2ccccc2C(=O)OCC3CO3,"InChI=1/C14H14O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h1-4,9-10H,5-8H2",C14H14O6,,,,,,JRPRCOLKIYRSNH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.790,230-568-7,7197-96-8,"6,7,8,9-tetrahydro-5H-cyclohepta(b)pyridine","6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine",C1CCc2cccnc2CC1,C1CCc2cccnc2CC1,"InChI=1/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8H,1-3,5,7H2",C10H13N,,,,,,CULUYAUTCSKQNM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.802,228-382-6,6253-37-8,O-octyl hydrogen dithiocarbonate,O-octyl hydrogen dithiocarbonate,CCCCCCCCOC(=S)S,CCCCCCCCOC(=S)S,"InChI=1/C9H18OS2/c1-2-3-4-5-6-7-8-10-9(11)12/h2-8H2,1H3,(H,11,12)",C9H18OS2,,,,,,FYHQYEVHSYHJHO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.809,228-389-4,5/05/6258,1-[2-[(2-aminoethyl)amino]ethyl]pyrrolidine,"N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine",NCCNCCN1CCCC1,NCCNCCN1CCCC1,"InChI=1/C8H19N3/c9-3-4-10-5-8-11-6-1-2-7-11/h10H,1-9H2",C8H19N3,,,,,,HKGTYLFPPIRQMM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.811,228-392-0,6258-30-6,2-(4-chlorophenyl)-2-methylpropionic acid,2-(4-chlorophenyl)-2-methylpropanoic acid,CC(C)(C(=O)O)c1ccc(Cl)cc1,CC(C)(C(=O)O)c1ccc(Cl)cc1,"InChI=1/C10H11ClO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)",C10H11ClO2,,,,,,SSFDAZXGUKDEAH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.822,228-403-9,6259-42-3,5-chloro-o-toluidinium chloride,5-chloro-2-methylanilinium chloride,[Cl-].Cc1ccc(Cl)cc1[NH3+],[Cl-].Cc1ccc(Cl)cc1[NH3+],"InChI=1/C7H8ClN.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,9H2,1H3;1H",C7H8ClN.ClH,,,,,,BMZGSMUCRXYUGB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.824,228-406-5,6259-53-6,4-hydroxy-6-(methylamino)naphthalene-2-sulphonic acid,4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid,CNc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,CNc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,"InChI=1/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)",C11H11NO4S,,,,,,SEHCLGZKORRUKN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.827,228-409-1,6259-77-4,Heptyl salicylate,heptyl salicylate,CCCCCCCOC(=O)c1ccccc1O,CCCCCCCOC(=O)c1ccccc1O,"InChI=1/C14H20O3/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10,15H,2-5,8,11H2,1H3",C14H20O3,,,,,,UGHVXXDQKXLCID-UHFFFAOYSA-N,,,,,,,,,,,
100.025.830,228-412-8,3/07/6262,Disodium 6-hydroxy-5-[[4-[[4-(phenylamino)-3-sulphonatophenyl]azo]naphthyl]azo]naphthalene-2-sulphonate,disodium 5-({4-[(4-anilino-3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)-6-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c2cc(ccc2Nc1ccccc1)N=Nc6ccc(N=Nc3c4ccc(cc4ccc3O)S([O-])(=O)=O)c5ccccc56,[Na+].[Na+].[O-]S(=O)(=O)c2cc(ccc2Nc1ccccc1)N=Nc6ccc(N=Nc3c4ccc(cc4ccc3O)S([O-])(=O)=O)c5ccccc56,"InChI=1/C32H23N5O7S2.2Na/c38-30-17-10-20-18-23(45(39,40)41)12-13-24(20)32(30)37-36-28-16-15-27(25-8-4-5-9-26(25)28)35-34-22-11-14-29(31(19-22)46(42,43)44)33-21-6-2-1-3-7-21;;/h1-19,33,38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C32H23N5O7S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17004,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.830,WXUZMLVSQROLEX-UHFFFAOYSA-L,,,,,,,,,,,
100.025.834,228-417-5,6262-27-7,"3,4,5-trihydroxybenzanilide","3,4,5-trihydroxy-N-phenylbenzamide",Oc1cc(cc(O)c1O)C(=O)Nc2ccccc2,Oc1cc(cc(O)c1O)C(=O)Nc2ccccc2,"InChI=1/C13H11NO4/c15-10-6-8(7-11(16)12(10)17)13(18)14-9-4-2-1-3-5-9/h1-7,15-17H,(H,14,18)",C13H11NO4,,,,,,HLVGXGQCLASQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.029.543,232-503-8,8059-24-3,Vitamin B6,"4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol",Cc1ncc(CO)c(CO)c1O,Cc1ncc(CO)c(CO)c1O,"InChI=1/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",-,,,,,,LXNHXLLTXMVWPM-UHFFFAOYSA-N,,,,,,,,,,,
100.029.547,232-513-2,7/07/8066,"[1S-[1a(2Z,4E),4a,6a]]-5-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-methylpenta-2,4-dienal","5-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-methylpenta-2,4-dienal",CC(=CC=O)C=CC12OC1(C)CC(O)CC2(C)C,CC(=CC=O)C=CC12OC1(C)CC(O)CC2(C)C,"InChI=1/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3",C15H22O3,,,,,,ZTALKMXOHWQNIA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.204,228-824-8,7/10/6360,Sodium 5-[[4-(acetylamino)-2-[(ethylphenylamino)sulphonyl]phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate,sodium 5-({4-acetamido-2-[ethyl(phenyl)sulfamoyl]phenyl}diazenyl)-6-amino-4-hydroxynaphthalene-2-sulfonate,[Na+].CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S(=O)(=O)N(CC)c4ccccc4,[Na+].CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S(=O)(=O)N(CC)c4ccccc4,"InChI=1/C26H25N5O7S2.Na/c1-3-31(19-7-5-4-6-8-19)39(34,35)24-14-18(28-16(2)32)10-12-22(24)29-30-26-21(27)11-9-17-13-20(40(36,37)38)15-23(33)25(17)26;/h4-15,33H,3,27H2,1-2H3,(H,28,32)(H,36,37,38);/q;+1/p-1",C26H25N5O7S2.Na,,,,,,REFVIYYCEVEBGO-UHFFFAOYSA-M,,,,,,,,,,,
100.026.209,228-830-0,6361-21-3,2-chloro-5-nitrobenzaldehyde,2-chloro-5-nitrobenzaldehyde,[O-][N+](=O)c1ccc(Cl)c(C=O)c1,[O-][N+](=O)c1ccc(Cl)c(C=O)c1,InChI=1/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H,C7H4ClNO3,,,,,,VFVHWCKUHAEDMY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.210,228-831-6,6361-22-4,2-chloro-6-nitrobenzaldehyde,2-chloro-6-nitrobenzaldehyde,[O-][N+](=O)c1cccc(Cl)c1C=O,[O-][N+](=O)c1cccc(Cl)c1C=O,InChI=1/C7H4ClNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H,C7H4ClNO3,,,,,,RZDOUWDCYULHJX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.213,228-834-2,6361-30-4,N-(7-hydroxy-1-naphthyl)benzamide,N-(7-hydroxy-1-naphthyl)benzamide,Oc1ccc2cccc(NC(=O)c3ccccc3)c2c1,Oc1ccc2cccc(NC(=O)c3ccccc3)c2c1,"InChI=1/C17H13NO2/c19-14-10-9-12-7-4-8-16(15(12)11-14)18-17(20)13-5-2-1-3-6-13/h1-11,19H,(H,18,20)",C17H13NO2,,,,,,JMSFXRZVVNHDDC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.595,227-053-4,8/08/5624,5-oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide,2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetamide,NC(=O)CC1NC(=S)N(C1=O)c2ccccc2,NC(=O)CC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)",C11H11N3O2S,,,,,,ZQGVIKNSDQBZSS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.598,227-057-6,5625-37-6,"2,2'-(piperazine-1,4-diyl)bis(ethanesulphonic) acid","2,2'-piperazine-1,4-diyldiethanesulfonic acid",OS(=O)(=O)CCN1CCN(CCS(=O)(=O)O)CC1,OS(=O)(=O)CCN1CCN(CCS(=O)(=O)O)CC1,"InChI=1/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)",C8H18N2O6S2,,,,,,IHPYMWDTONKSCO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.601,227-060-2,5625-69-4,N-[2-(1-piperidinyl)ethyl]ethylenediamine,"N-(2-piperidin-1-ylethyl)ethane-1,2-diamine",NCCNCCN1CCCCC1,NCCNCCN1CCCCC1,"InChI=1/C9H21N3/c10-4-5-11-6-9-12-7-2-1-3-8-12/h11H,1-10H2",C9H21N3,,,,,,QOAHNQKCWITUJK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.613,227-073-3,5633-18-1,Melengestrol,"17-hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione",CC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H30O3/c1-13-10-17-18(21(4)8-6-16(25)12-19(13)21)7-9-22(5)20(17)11-14(2)23(22,26)15(3)24/h10,12,17-18,20,26H,2,6-9,11H2,1,3-5H3",C23H30O3,,,,,,OKHAOBQKCCIRLO-IBVJIVQJSA-N,,,,,,,,,,,
100.024.615,227-075-4,5634-27-5,N-amidinododecanamide,N-carbamimidoyldodecanamide,CCCCCCCCCCCC(=O)NC(=N)N,CCCCCCCCCCCC(=O)NC(=N)N,"InChI=1/C13H27N3O/c1-2-3-4-5-6-7-8-9-10-11-12(17)16-13(14)15/h2-11H2,1H3,(H4,14,15,16,17)",C13H27N3O,,,,,,UAKWHKVDJCKNEU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.621,227-082-2,5635-50-7,Hexestrol,"4,4'-hexane-3,4-diyldiphenol",Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2,Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2,"InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3",C18H22O2,,,,,,PBBGSZCBWVPOOL-HDICACEKSA-N,,,,,,,,,,,
100.024.622,227-083-8,5636-83-9,Dimetindene,"N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine",CC(C1=C(CCN(C)C)Cc2ccccc12)c3ccccn3,CC(C1=C(CCN(C)C)Cc2ccccc12)c3ccccn3,"InChI=1/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3",C20H24N2,,,,,,MVMQESMQSYOVGV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.250,228-875-6,7/08/6370,Disodium hydroxy[3-hydroxy-4-[(1-hydroxy-8-sulpho-2-naphthyl)azo]naphthalene-1-sulphonato(4-)]chromate(2-),disodium hydroxy[3-(hydroxy-kappaO)-4-{[1-(hydroxy-kappaO)-8-sulfo-2-naphthyl]diazenyl}naphthalene-1-sulfonato(4-)]chromate(2-),O[Cr]1Oc2cc(c3ccccc3c2N=Nc4ccc5cccc(c5c4O1)S(=O)(=O)O[Na])S(=O)(=O)O[Na],O[Cr]1Oc2cc(c3ccccc3c2N=Nc4ccc5cccc(c5c4O1)S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C20H14N2O8S2.Cr.2Na.H2O/c23-15-10-17(32(28,29)30)12-5-1-2-6-13(12)19(15)22-21-14-9-8-11-4-3-7-16(31(25,26)27)18(11)20(14)24;;;;/h1-10,23-24H,(H,25,26,27)(H,28,29,30);;;;1H2/q;+3;2*+1;/p-5/rC20H11CrN2Na2O9S2/c24-33-35(27,28)16-7-3-4-11-8-9-14-20(18(11)16)32-21(26)31-15-10-17(36(29,30)34-25)12-5-1-2-6-13(12)19(15)23-22-14/h1-10,26H",C20H11CrN2O9S2.2Na,,,,,,ZQZPAFVDCIVGCR-UHFFFAOYSA-I,,,,,,,,,,,
100.026.253,228-878-2,6370-23-6,6-amino-m-xylene-4-sulphonic acid,"5-amino-2,4-dimethylbenzenesulfonic acid",Cc1cc(C)c(cc1N)S(=O)(=O)O,Cc1cc(C)c(cc1N)S(=O)(=O)O,"InChI=1/C8H11NO3S/c1-5-3-6(2)8(4-7(5)9)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)",C8H11NO3S,,,,,,NTPCHAXHWPDMEI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.449,230-193-9,6970-21-4,"Sodium 4-[(4-amino-2,5-xylyl)azo]-m-xylene-5-sulphonate","sodium 2-[(4-amino-2,5-dimethylphenyl)diazenyl]-3,5-dimethylbenzenesulfonate",Cc1cc(C)c(N=Nc2cc(C)c(N)cc2C)c(c1)S(=O)(=O)O[Na],Cc1cc(C)c(N=Nc2cc(C)c(N)cc2C)c(c1)S(=O)(=O)O[Na],"InChI=1/C16H19N3O3S.Na/c1-9-5-12(4)16(15(6-9)23(20,21)22)19-18-14-8-10(2)13(17)7-11(14)3;/h5-8H,17H2,1-4H3,(H,20,21,22);/q;+1/p-1/rC16H18N3NaO3S/c1-9-5-12(4)16(15(6-9)24(21,22)23-20)19-18-14-8-10(2)13(17)7-11(14)3/h5-8H,17H2,1-4H3",C16H19N3O3S.Na,,,,,,YOCKGNZNWYDCPG-UHFFFAOYSA-M,,,,,,,,,,,
100.027.453,230-198-6,6971-44-4,N-methylpyridine-4-methylamine,N-methyl-1-pyridin-4-ylmethanamine,CNCc1ccncc1,CNCc1ccncc1,"InChI=1/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3",C7H10N2,,,,,,DNBWGFKLIBQQSL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.459,230-204-7,6972-05-0,"1,1-dimethyl-2-thiourea","1,1-dimethylthiourea",CN(C)C(=S)N,CN(C)C(=S)N,"InChI=1/C3H8N2S/c1-5(2)3(4)6/h1-2H3,(H2,4,6)",C3H8N2S,,,,,,ZQGWBPQBZHMUFG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.460,230-205-2,6972-27-6,"6-chloro-1,3-dimethyluracil","6-chloro-1,3-dimethylpyrimidine-2,4(1H,3H)-dione",CN1C(=CC(=O)N(C)C1=O)Cl,CN1C(=CC(=O)N(C)C1=O)Cl,"InChI=1/C6H7ClN2O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,1-2H3",C6H7ClN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18858,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.460,VATQPUHLFQHDBD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.465,230-211-5,6972-71-0,"2-nitro-4,5-xylidine","4,5-dimethyl-2-nitroaniline",Cc1cc(N)c(cc1C)N(=O)=O,Cc1cc(N)c(cc1C)N(=O)=O,"InChI=1/C8H10N2O2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,9H2,1-2H3",C8H10N2O2,,,,,,PINGKGKKUSYUAW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.134,225-448-6,4854-90-4,Octakis(O-2-hydroxypropyl)sucrose,"5-[(2-hydroxypropoxy)methyl]-2-(12-hydroxytridecyl)tetrahydrofuran-2-yl 2,3,4,6-tetrakis-O-(2-hydroxypropyl)hexopyranoside",CC(O)CCCCCCCCCCCC1(CCC(COCC(C)O)O1)OC2OC(COCC(C)O)C(OCC(C)O)C(OCC(C)O)C2OCC(C)O,CC(O)CCCCCCCCCCCC1(CCC(COCC(C)O)O1)OC2OC(COCC(C)O)C(OCC(C)O)C(OCC(C)O)C2OCC(C)O,"InChI=1/C39H76O14/c1-27(40)16-14-12-10-8-7-9-11-13-15-18-39(19-17-33(52-39)25-46-20-28(2)41)53-38-37(50-24-32(6)45)36(49-23-31(5)44)35(48-22-30(4)43)34(51-38)26-47-21-29(3)42/h27-38,40-45H,7-26H2,1-6H3",C36H70O19,,,,,,UJQSVMJDMQHQTD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.137,225-451-2,4856-97-7,2-(hydroxymethyl)-1H-benzimidazole,1H-benzimidazol-2-ylmethanol,OCc1nc2ccccc2[nH]1,OCc1nc2ccccc2[nH]1,"InChI=1/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)",C8H8N2O,,,,,,IAJLTMBBAVVMQO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.139,225-453-3,1/06/4857,2-chloro-1H-benzimidazole,2-chloro-1H-benzimidazole,Clc1nc2ccccc2[nH]1,Clc1nc2ccccc2[nH]1,"InChI=1/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)",C7H5ClN2,,,,,,AYPSHJCKSDNETA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.141,225-455-4,4857-44-7,Calcium bis(2-hydroxy-4-(methylthio)butyrate),calcium bis[2-hydroxy-4-(methylsulfanyl)butanoate],[Ca+2].CSCCC(O)C(=O)[O-].CSCCC(O)C(=O)[O-],[Ca+2].CSCCC(O)C(=O)[O-].CSCCC(O)C(=O)[O-],"InChI=1/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2",C5H10O3S.1/2Ca,,,,,,ABRVDWASZFDIEH-UHFFFAOYSA-L,,,,,,,,,,,
100.012.927,214-219-6,1114-92-7,"Butane-2,3-diyl diacetate","butane-2,3-diyl diacetate",CC(OC(=O)C)C(C)OC(=O)C,CC(OC(=O)C)C(C)OC(=O)C,"InChI=1/C8H14O4/c1-5(11-7(3)9)6(2)12-8(4)10/h5-6H,1-4H3",C8H14O4,,,,,,VVSAAKSQXNXBML-UHFFFAOYSA-N,,,,,,,,,,,
100.012.937,214-230-6,1115-70-4,Metformin hydrochloride,"N,N-dimethylimidodicarbonimidic diamide hydrochloride",Cl.CN(C)C(=N)NC(=N)N,Cl.CN(C)C(=N)NC(=N)N,"InChI=1/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H",C4H11N5.ClH,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18705,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.937,OETHQSJEHLVLGH-UHFFFAOYSA-N,,,,,,,,,,,
100.012.942,214-235-3,1116-39-8,Triisobutylborane,triisobutylborane,CC(C)CB(CC(C)C)CC(C)C,CC(C)CB(CC(C)C)CC(C)C,"InChI=1/C12H27B/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27B,,,,,,XDSSGQHOYWGIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.944,214-237-4,1116-54-7,"2,2'-(nitrosoimino)bisethanol","2,2'-(nitrosoimino)diethanol",OCCN(CCO)N=O,OCCN(CCO)N=O,"InChI=1/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2",C4H10N2O3,,,,,,YFCDLVPYFMHRQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.950,214-244-2,1117-31-3,"1,3-butylene diacetate","butane-1,3-diyl diacetate",CC(CCOC(=O)C)OC(=O)C,CC(CCOC(=O)C)OC(=O)C,"InChI=1/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3",C8H14O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8882,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.950,MPAGVACEWQNVQO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.951,214-245-8,1117-41-5,"3,6,10-trimethylundeca-3,5,9-trien-2-one","3,6,10-trimethylundeca-3,5,9-trien-2-one",C/C(C)=C\\CCC(C)=CC=C(C)C(C)=O,C/C(C)=C\CCC(C)=CC=C(C)C(C)=O,"InChI=1/C14H22O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,9-10H,6,8H2,1-5H3",C14H22O,,,,,,PRMAVUPVLGOONQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.952,214-246-3,1117-52-8,"(E,E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one","6,10,14-trimethylpentadeca-5,9,13-trien-2-one",CC(=CCC\\C(=C\\CC\\C(=C\\CCC(=O)C)\\C)\\C)C,CC(=CCC\C(=C\CC\C(=C\CCC(=O)C)\C)\C)C,"InChI=1/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3",C18H30O,,,,,,LTUMRKDLVGQMJU-IUBLYSDUSA-N,,,,,,,,,,,
100.012.954,214-248-4,1117-59-5,Hexyl valerate,hexyl valerate,CCCCCCOC(=O)CCCC,CCCCCCOC(=O)CCCC,"InChI=1/C11H22O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3-10H2,1-2H3",C11H22O2,,,,,,YERFHJZYNMRVLO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.957,214-252-6,1117-72-2,N-butyl-N-methylformamide,N-butyl-N-methylformamide,CCCCN(C)C=O,CCCCN(C)C=O,"InChI=1/C6H13NO/c1-3-4-5-7(2)6-8/h6H,3-5H2,1-2H3",C6H13NO,,,,,,MCZIJQYYIXXDDA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.963,214-258-9,1118-15-6,"1,1,3,3-tetramethyldisiloxane-1,3-diol","1,1,3,3-tetramethyldisiloxane-1,3-diol",C[Si](C)(O)O[Si](C)(C)O,C[Si](C)(O)O[Si](C)(C)O,"InChI=1/C4H14O3Si2/c1-8(2,5)7-9(3,4)6/h5-6H,1-4H3",C4H14O3Si2,,,,,,PFEAZKFNWPIFCV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.964,214-259-4,1118-27-0,"1,5-dimethyl-1-vinylhex-4-enyl isovalerate","1,5-dimethyl-1-vinylhex-4-en-1-yl 3-methylbutanoate",CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C,CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3",C15H26O2,,,,,,WCDGWAIZRYMVOW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.968,214-264-1,1118-58-7,"2-methylpenta-1,3-diene","2-methylpenta-1,3-diene",CC(=C)C=CC,CC(=C)C=CC,"InChI=1/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3",C6H10,,,,,,RCJMVGJKROQDCB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.974,214-270-4,1118-89-4,Diethyl L-glutamate hydrochloride,diethyl L-glutamate hydrochloride,Cl.CCOC(=O)CC[C@H](N)C(=O)OCC,Cl.CCOC(=O)CC[C@H](N)C(=O)OCC,"InChI=1/C9H17NO4.ClH/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;/h7H,3-6,10H2,1-2H3;1H",C9H17NO4.ClH,,,,,,WSEQLMQNPBNMSL-FJXQXJEOSA-N,,,,,,,,,,,
100.027.793,230-571-3,7200-25-1,DL-arginine,arginine,NC(CCCNC(=N)N)C(=O)O,NC(CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C6H14N4O2,,,,,,ODKSFYDXXFIFQN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.795,230-573-4,7204-29-7,(E)-2-butenyl acetate,but-2-en-1-yl acetate,C\\C=C\\COC(=O)C,C\C=C\COC(=O)C,"InChI=1/C6H10O2/c1-3-4-5-8-6(2)7/h3-4H,5H2,1-2H3",C6H10O2,,,,,,WNHXJHGRIHUOTG-ONEGZZNKSA-N,,,,,,,,,,,
100.027.796,230-575-5,7205-49-4,Paromomycin sulphate (1:1),-,NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.[O-]S(=O)(=O)[O-],NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.[O-]S(=O)(=O)[O-],"InChI=1/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/p-2",C23H45N5O14.H2O4S,,,,,,LJRDOKAZOAKLDU-UDXJMMFXSA-L,,,,,,,,,,,
100.027.800,230-579-7,7205-91-6,Chloromethyl phenyl sulphide,[(chloromethyl)sulfanyl]benzene,ClCSc1ccccc1,ClCSc1ccccc1,"InChI=1/C7H7ClS/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2",C7H7ClS,,,,,,LLSMWLJPWFSMCP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.802,230-581-8,7205-98-3,[(chloromethyl)sulphonyl]benzene,[(chloromethyl)sulfonyl]benzene,ClCS(=O)(=O)c1ccccc1,ClCS(=O)(=O)c1ccccc1,"InChI=1/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2",C7H7ClO2S,,,,,,NXAIQSVCXQZNRY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.805,230-584-4,7207-40-1,2-[(3-hydroxy-4-methylphenyl)amino]acetamide,N~2~-(3-hydroxy-4-methylphenyl)glycinamide,Cc1ccc(NCC(=O)N)cc1O,Cc1ccc(NCC(=O)N)cc1O,"InChI=1/C9H12N2O2/c1-6-2-3-7(4-8(6)12)11-5-9(10)13/h2-4,11-12H,5H2,1H3,(H2,10,13)",C9H12N2O2,,,,,,VSSLBIBNTSJNSE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.819,230-601-5,7214-18-8,cis-2-tert-butylcyclohexan-1-ol,2-tert-butylcyclohexanol,CC(C)(C)[C@@H]1CCCC[C@@H]1O,CC(C)(C)[C@@H]1CCCC[C@@H]1O,"InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3",C10H20O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18640,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.819,DLTWBMHADAJAAZ-BDAKNGLRSA-N,,,,,,,,,,,
100.027.820,230-602-0,7216-42-4,Isonicotinaldehyde 1-oxide,isonicotinaldehyde 1-oxide,[O-][n+]1ccc(C=O)cc1,[O-][n+]1ccc(C=O)cc1,InChI=1/C6H5NO2/c8-5-6-1-3-7(9)4-2-6/h1-5H,C6H5NO2,,,,,,ZAZQKVZJRMHPQP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.830,230-613-0,7218-44-2,"N,N'-bis(phenylsulphonyl)-4,4'-oxydi(benzenesulphonamide)","4,4'-oxybis[N-(phenylsulfonyl)benzenesulfonamide]",O=S(=O)(NS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)NS(=O)(=O)c3ccccc3)cc1)c4ccccc4,O=S(=O)(NS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)NS(=O)(=O)c3ccccc3)cc1)c4ccccc4,"InChI=1/C24H20N2O9S4/c27-36(28,21-7-3-1-4-8-21)25-38(31,32)23-15-11-19(12-16-23)35-20-13-17-24(18-14-20)39(33,34)26-37(29,30)22-9-5-2-6-10-22/h1-18,25-26H",C24H20N2O9S4,,,,,,ZOLXCJSPJPWPLO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.546,227-000-5,5591-29-7,Etafedrine hydrochloride,2-[ethyl(methyl)amino]-1-phenylpropan-1-ol hydrochloride,Cl.CCN(C)C(C)C(O)c1ccccc1,Cl.CCN(C)C(C)C(O)c1ccccc1,"InChI=1/C12H19NO.ClH/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11;/h5-10,12,14H,4H2,1-3H3;1H",C12H19NO.ClH,,,,,,WRONACHIHQGZSD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.547,227-001-0,5591-45-7,"N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulphonamide","N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide",CN(C)S(=O)(=O)c2cc3C(=CCCN1CCN(C)CC1)c4ccccc4Sc3cc2,CN(C)S(=O)(=O)c2cc3C(=CCCN1CCN(C)CC1)c4ccccc4Sc3cc2,"InChI=1/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3",C23H29N3O2S2,,,,,,GFBKORZTTCHDGY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.557,227-012-0,5598-53-8,Disodium L-aspartate,disodium 2-aminosuccinate,[Na+].[Na+].N[C@@H](CC(=O)[O-])C(=O)[O-],[Na+].[Na+].N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C4H7NO4.2Na,,,,,,XMXOIHIZTOVVFB-JIZZDEOASA-L,,,,,,,,,,,
100.024.558,227-013-6,5599-32-6,Azidotriethylsilane,azido(triethyl)silane,CC[Si](CC)(CC)N=[N+]=[N-],CC[Si](CC)(CC)N=[N+]=[N-],"InChI=1/C6H15N3Si/c1-4-10(5-2,6-3)9-8-7/h4-6H2,1-3H3",C6H15N3Si,,,,,,MEGROZMJHSAQKL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.560,227-015-7,5599-36-0,"1-azido-N,N,N',N',N'',N''-hexamethylsilanetriamine","1-azido-N,N,N',N',N'',N''-hexamethylsilanetriamine",CN(C)[Si](N=[N+]=[N-])(N(C)C)N(C)C,CN(C)[Si](N=[N+]=[N-])(N(C)C)N(C)C,"InChI=1/C6H18N6Si/c1-10(2)13(9-8-7,11(3)4)12(5)6/h1-6H3",C6H18N6Si,,,,,,IUANBKMWCHZEAM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.563,227-018-3,5600-21-5,4-chloro-6-methylpyrimidin-2-ylamine,4-chloro-6-methylpyrimidin-2-amine,Cc1cc(Cl)nc(N)n1,Cc1cc(Cl)nc(N)n1,"InChI=1/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)",C5H6ClN3,,,,,,NPTGVVKPLWFPPX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.567,227-023-0,5602-19-7,6-cyanohexanoic acid,6-cyanohexanoic acid,OC(=O)CCCCCC#N,OC(=O)CCCCCC#N,"InChI=1/C7H11NO2/c8-6-4-2-1-3-5-7(9)10/h1-5H2,(H,9,10)",C7H11NO2,,,,,,INHNHRQXVDVIDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.220,228-842-6,6362-46-5,"Disodium 6-[(4-cyclohexylphenyl)azo]-4-[(2,5-dichlorobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonate","disodium 6-[(4-cyclohexylphenyl)diazenyl]-4-[(2,5-dichlorobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].Clc1cc(c(Cl)cc1)C(=O)Nc5ccc(c4cc(c(N=Nc2ccc(cc2)C3CCCCC3)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Clc1cc(c(Cl)cc1)C(=O)Nc5ccc(c4cc(c(N=Nc2ccc(cc2)C3CCCCC3)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C29H25Cl2N3O8S2.2Na/c30-18-8-11-22(31)20(14-18)29(36)32-23-12-13-24(43(37,38)39)21-15-25(44(40,41)42)27(28(35)26(21)23)34-33-19-9-6-17(7-10-19)16-4-2-1-3-5-16;;/h6-16,35H,1-5H2,(H,32,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C29H25Cl2N3O8S2.2Na,,,,,,NVRHDEJQOLEKBI-UHFFFAOYSA-L,,,,,,,,,,,
100.026.221,228-843-1,6362-52-3,5-amino-2-hydroxy-3-nitrobenzenesulphonic acid,5-amino-2-hydroxy-3-nitrobenzenesulfonic acid,Nc1cc(c(O)c(c1)S(=O)(=O)O)[N+](=O)[O-],Nc1cc(c(O)c(c1)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C6H6N2O6S/c7-3-1-4(8(10)11)6(9)5(2-3)15(12,13)14/h1-2,9H,7H2,(H,12,13,14)",C6H6N2O6S,,,,,,WKPCPXPNQFUCHH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.222,228-844-7,6362-63-6,Ethyl 3-cyano-3-phenylpyruvate,ethyl 3-cyano-2-oxo-3-phenylpropanoate,CCOC(=O)C(=O)C(C#N)c1ccccc1,CCOC(=O)C(=O)C(C#N)c1ccccc1,"InChI=1/C12H11NO3/c1-2-16-12(15)11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3",C12H11NO3,,,,,,YWNRATDDUSMBPR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.230,228-853-6,6364-21-2,8-aminophenazin-2-ol,8-aminophenazin-2-ol,Nc1ccc2nc3ccc(O)cc3nc2c1,Nc1ccc2nc3ccc(O)cc3nc2c1,"InChI=1/C12H9N3O/c13-7-1-3-9-11(5-7)15-12-6-8(16)2-4-10(12)14-9/h1-6,16H,13H2",C12H9N3O,,,,,,HXMGWECMEAEGBY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.232,228-855-7,6364-36-9,"2-[(2,4-diaminophenyl)azo]-4,6-dinitrophenol","2-[(2,4-diaminophenyl)diazenyl]-4,6-dinitrophenol",Oc2c(cc(cc2N=Nc1ccc(N)cc1N)[N+]([O-])=O)[N+]([O-])=O,Oc2c(cc(cc2N=Nc1ccc(N)cc1N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C12H10N6O5/c13-6-1-2-9(8(14)3-6)15-16-10-4-7(17(20)21)5-11(12(10)19)18(22)23/h1-5,19H,13-14H2",C12H10N6O5,,,,,,KGFWCOLRCHLEOH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.234,228-857-8,6365-50-0,3-(2-quinolylmethylene)phthalide,3-(quinolin-2-ylmethylene)-2-benzofuran-1(3H)-one,O=C3OC(=Cc1ccc2ccccc2n1)c4ccccc34,O=C3OC(=Cc1ccc2ccccc2n1)c4ccccc34,InChI=1/C18H11NO2/c20-18-15-7-3-2-6-14(15)17(21-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-11H,C18H11NO2,,,,,,CXPDELLOVTUCGG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.236,228-859-9,6366-70-7,Benzyl N6-benzyloxycarbonyl-L-lysinate hydrochloride,benzyl N~6~-[(benzyloxy)carbonyl]-L-lysinate hydrochloride,Cl.N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc2ccccc2,Cl.N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc2ccccc2,"InChI=1/C21H26N2O4.ClH/c22-19(20(24)26-15-17-9-3-1-4-10-17)13-7-8-14-23-21(25)27-16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H",C21H26N2O4.ClH,,,,,,XHBTZNKKLKICJY-FYZYNONXSA-N,,,,,,,,,,,
100.029.042,231-946-4,7779-99-9,"Isobutyl oleate, compound with sulphuric acid",isobutyl octadec-9-enoate - sulfuric acid (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(C)C.OS(=O)(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)C.OS(=O)(=O)O,"InChI=1/C22H42O2.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3;1-5(2,3)4/h11-12,21H,4-10,13-20H2,1-3H3;(H2,1,2,3,4)",C22H42O2.xH2O4S,,,,,,XXLGTHUPNRRNRQ-AFEZEDKISA-N,,,,,,,,,,,
100.029.044,231-949-0,5/06/7780,Isopropyl cinnamate,isopropyl 3-phenylacrylate,CC(C)OC(=O)\\C=C\\c1ccccc1,CC(C)OC(=O)\C=C\c1ccccc1,"InChI=1/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3",C12H14O2,,,,,,RGACABDFLVLVCT-CMDGGOBGSA-N,,,,,,,,,,,
100.029.045,231-950-6,7781-49-9,1-(p-iodophenyl)-5-(p-nitrophenyl)-3-phenylformazan,1-[(4-iodophenyl)(phenyl)carbonohydrazonoyl]-2-(4-nitrophenyl)diazene,[O-][N+](=O)c1ccc(cc1)N=N\\C(=N\\Nc2ccc(I)cc2)\\c3ccccc3,[O-][N+](=O)c1ccc(cc1)N=N\C(=N\Nc2ccc(I)cc2)\c3ccccc3,"InChI=1/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,21H",C19H14IN5O2,,,,,,BWJJSYVJOLHQFF-GECZPBSJSA-N,,,,,,,,,,,
100.029.056,231-962-1,7782-68-5,Iodic acid,iodic acid,OI(=O)=O,OI(=O)=O,"InChI=1/HIO3/c2-1(3)4/h(H,2,3,4)",HIO3,,,,,,ICIWUVCWSCSTAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.058,231-964-2,7782-78-7,Nitrosylsulphuric acid,hydroxy(nitrosooxy)sulfane dioxide,OS(=O)(=O)ON=O,OS(=O)(=O)ON=O,"InChI=1/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)",HNO5S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12460,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.058,VQTGUFBGYOIUFS-UHFFFAOYSA-N,,,,,,,,,,,
100.029.067,231-974-7,7783-00-8,Selenious acid,selenous acid,O[Se](=O)O,O[Se](=O)O,"InChI=1/H2O3Se/c1-4(2)3/h(H2,1,2,3)",H2O3Se,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5196,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.067,MCAHWIHFGHIESP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.074,231-982-0,7783-18-8,Ammonium thiosulphate,diammonium thiosulfate,[NH4+].[NH4+].[O-]S(=O)(=O)[S-],[NH4+].[NH4+].[O-]S(=O)(=O)[S-],"InChI=1/2H3N.H2O3S2/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)",H3N.1/2H2O3S2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14499,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.074,XYXNTHIYBIDHGM-UHFFFAOYSA-N,,,,,,,,,,,
100.029.083,231-992-5,7783-35-9,Mercury sulphate,mercury sulfate,[Hg+2].[O-]S(=O)(=O)[O-],[Hg+2].[O-]S(=O)(=O)[O-],"InChI=1/Hg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",H2O4S.Hg,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17677,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.083,DOBUSJIVSSJEDA-UHFFFAOYSA-L,,,,,,,,,,,
100.027.470,230-216-2,6973-13-3,2-chloro-5-nitrotoluene-4-sulphonic acid,5-chloro-4-methyl-2-nitrobenzenesulfonic acid,Cc1cc(c(cc1Cl)S(=O)(=O)O)[N+](=O)[O-],Cc1cc(c(cc1Cl)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C7H6ClNO5S/c1-4-2-6(9(10)11)7(3-5(4)8)15(12,13)14/h2-3H,1H3,(H,12,13,14)",C7H6ClNO5S,,,,,,JTZLIGVBEAGAFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.475,230-222-5,6974-47-6,"3-(1,3-benzodioxol-5-yl)methacrylaldehyde","3-(1,3-benzodioxol-5-yl)-2-methylacrylaldehyde",C\\C(=C\\c1ccc2OCOc2c1)\\C=O,C\C(=C\c1ccc2OCOc2c1)\C=O,"InChI=1/C11H10O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-6H,7H2,1H3",C11H10O3,,,,,,VLNPUVFEUOBXDK-YWEYNIOJSA-N,,,,,,,,,,,
100.027.476,230-223-0,6974-72-7,Pyridine-2-carboxamide 1-oxide,pyridine-2-carboxamide 1-oxide,NC(=O)c1cccc[n+]1[O-],NC(=O)c1cccc[n+]1[O-],"InChI=1/C6H6N2O2/c7-6(9)5-3-1-2-4-8(5)10/h1-4H,(H2,7,9)",C6H6N2O2,,,,,,XKWOLIYQEGUHBU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.477,230-224-6,6974-77-2,1-bromo-3-chloro-2-methylpropane,1-bromo-3-chloro-2-methylpropane,CC(CCl)CBr,CC(CCl)CBr,"InChI=1/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3",C4H8BrCl,,,,,,ZKDOQFPDSUOLGF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.478,230-225-1,6974-78-3,8-bromo-1H-adenine,8-bromo-1H-purin-6-amine,Nc1[nH]cnc2nc(Br)nc12,Nc1[nH]cnc2nc(Br)nc12,"InChI=1/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)",C5H4BrN5,,,,,,FVXHPCVBOXMRJP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.479,230-226-7,6974-85-2,Ethyl 2-bromodecanoate,ethyl 2-bromodecanoate,CCCCCCCCC(Br)C(=O)OCC,CCCCCCCCC(Br)C(=O)OCC,"InChI=1/C12H23BrO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3",C12H23BrO2,,,,,,IOOXHTJCOQWOJW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.480,230-227-2,6974-87-4,Ethyl 2-bromododecanoate,ethyl 2-bromododecanoate,CCCCCCCCCCC(Br)C(=O)OCC,CCCCCCCCCCC(Br)C(=O)OCC,"InChI=1/C14H27BrO2/c1-3-5-6-7-8-9-10-11-12-13(15)14(16)17-4-2/h13H,3-12H2,1-2H3",C14H27BrO2,,,,,,VGYZSIMAKGWWOP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.481,230-228-8,6974-97-6,"4,7-dimethyl-1H-indene","4,7-dimethyl-1H-indene",Cc1ccc(C)c2C=CCc12,Cc1ccc(C)c2C=CCc12,"InChI=1/C11H12/c1-8-6-7-9(2)11-5-3-4-10(8)11/h3-4,6-7H,5H2,1-2H3",C11H12,,,,,,DKLQZDIAQKGVTA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.488,230-236-1,6975-98-0,2-methyldecane,2-methyldecane,CCCCCCCCC(C)C,CCCCCCCCC(C)C,"InChI=1/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3",C11H24,,,,,,CNPVJWYWYZMPDS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.489,230-237-7,6976-37-0,"2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol","2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol",OCCN(CCO)C(CO)(CO)CO,OCCN(CCO)C(CO)(CO)CO,"InChI=1/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2",C8H19NO5,,,,,,OWMVSZAMULFTJU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.491,230-239-8,6976-72-3,Heptyl hexanoate,heptyl hexanoate,CCCCCCCOC(=O)CCCCC,CCCCCCCOC(=O)CCCCC,"InChI=1/C13H26O2/c1-3-5-7-8-10-12-15-13(14)11-9-6-4-2/h3-12H2,1-2H3",C13H26O2,,,,,,QEKCBKVWQYEUGY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.492,230-240-3,6976-91-6,"N,N-dimethylmethacrylamide","N,N,2-trimethylacrylamide",CN(C)C(=O)C(=C)C,CN(C)C(=O)C(=C)C,"InChI=1/C6H11NO/c1-5(2)6(8)7(3)4/h1H2,2-4H3",C6H11NO,,,,,,QRWZCJXEAOZAAW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.496,230-245-0,6980-15-0,"3ß,5,14,16ß-tetrahydroxy-19-oxo-5ßcard-20(22)-enolide 16-acetate","16-acetoxy-3,5,14-trihydroxy-19-oxocard-20(22)-enolide",CC(=O)OC1CC2(O)C3CCC4(O)CC(O)CCC4(C=O)C3CCC2(C)C1C5=CC(=O)OC5,CC(=O)OC1CC2(O)C3CCC4(O)CC(O)CCC4(C=O)C3CCC2(C)C1C5=CC(=O)OC5,"InChI=1/C25H34O8/c1-14(27)33-19-11-25(31)18-5-8-24(30)10-16(28)3-7-23(24,13-26)17(18)4-6-22(25,2)21(19)15-9-20(29)32-12-15/h9,13,16-19,21,28,30-31H,3-8,10-12H2,1-2H3",C25H34O8,,,,,,DLFGUBFPQASQRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.240,226-664-3,5447-28-9,N-(3-chlorophenyl)naphthalen-2-amine,N-(3-chlorophenyl)naphthalen-2-amine,Clc1cccc(Nc2ccc3ccccc3c2)c1,Clc1cccc(Nc2ccc3ccccc3c2)c1,"InChI=1/C16H12ClN/c17-14-6-3-7-15(11-14)18-16-9-8-12-4-1-2-5-13(12)10-16/h1-11,18H",C16H12ClN,,,,,,XEYHIIBYEOWKLL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.247,226-672-7,5448-47-5,3-indoleacetic acid hydrazide,2-(1H-indol-3-yl)acetohydrazide,NNC(=O)Cc1c[nH]c2ccccc12,NNC(=O)Cc1c[nH]c2ccccc12,"InChI=1/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14)",C10H11N3O,,,,,,GYHLCXMCGCVVCG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.876,228-463-6,6272-71-5,"Tetrasodium 3,3'-azobis[6-[2-(4-nitro-2-sulphonatophenyl)vinyl]benzenesulphonate]","tetrasodium 3,3'-diazene-1,2-diylbis{6-[2-(4-nitro-2-sulfonatophenyl)vinyl]benzenesulfonate}",[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(/C=C/c3ccc(N=Nc2ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(c2)S([O-])(=O)=O)cc3S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(/C=C/c3ccc(N=Nc2ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(c2)S([O-])(=O)=O)cc3S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C28H20N4O16S4.4Na/c33-31(34)23-11-7-19(27(15-23)51(43,44)45)3-1-17-5-9-21(13-25(17)49(37,38)39)29-30-22-10-6-18(26(14-22)50(40,41)42)2-4-20-8-12-24(32(35)36)16-28(20)52(46,47)48;;;;/h1-16H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4",C28H20N4O16S4.4Na,,,,,,WMXWHKMEODSTIM-SGFVGHTISA-J,,,,,,,,,,,
100.025.879,228-466-2,6274-12-0,Diethylammonium bromide,N-ethylethanaminium bromide,[Br-].CC[NH2+]CC,[Br-].CC[NH2+]CC,"InChI=1/C4H11N.BrH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H",C4H11N.BrH,,,,,,AATGHKSFEUVOPF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.194,229-913-4,6834-98-6,Fungichromin,"4,6,8,10,12,14,15,16,27-nonahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one (non-preferred name)",CCCCCC(O)C1C(O)CC(O)CC(O)CC(O)CC(O)CC(O)C(O)C(O)\\C(=C\\C=C\\C=C\\C=C\\C=C\\C(O)C(C)OC1=O)\\C,CCCCCC(O)C1C(O)CC(O)CC(O)CC(O)CC(O)CC(O)C(O)C(O)\C(=C\C=C\C=C\C=C\C=C\C(O)C(C)OC1=O)\C,"InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3",C35H58O12,,,,,,AGJUUQSLGVCRQA-DBHIOOTNSA-N,,,,,,,,,,,
100.027.198,229-918-1,6836-42-6,Tetradecan-6-one,tetradecan-6-one,CCCCCCCCC(=O)CCCCC,CCCCCCCCC(=O)CCCCC,"InChI=1/C14H28O/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2/h3-13H2,1-2H3",C14H28O,,,,,,OAFHCOXSIJKFEV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.200,229-920-2,6837-37-2,"2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]",COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(OC)c4,COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(OC)c4,"InChI=1/C38H40N6O6/c1-21-9-13-29(23(3)17-21)39-37(47)35(25(5)45)43-41-31-15-11-27(19-33(31)49-7)28-12-16-32(34(20-28)50-8)42-44-36(26(6)46)38(48)40-30-14-10-22(2)18-24(30)4/h9-20,35-36H,1-8H3,(H,39,47)(H,40,48)",C38H40N6O6,,,,,,YXSIPVMEJUWUHA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.201,229-921-8,6837-45-2,"3-amino-7-(dimethylamino)-5-(2,4-dimethylphenyl)-1,4-dimethylphenazinium chloride","3-amino-7-(dimethylamino)-5-(2,4-dimethylphenyl)-1,4-dimethylphenazin-5-ium chloride",[Cl-].CN(C)c1ccc2nc3c(C)cc(N)c(C)c3[n+](c4ccc(C)cc4C)c2c1,[Cl-].CN(C)c1ccc2nc3c(C)cc(N)c(C)c3[n+](c4ccc(C)cc4C)c2c1,"InChI=1/C24H26N4.ClH/c1-14-7-10-21(15(2)11-14)28-22-13-18(27(5)6)8-9-20(22)26-23-16(3)12-19(25)17(4)24(23)28;/h7-13,25H,1-6H3;1H",C24H27N4.Cl,,,,,,XSQKWHIBPHJAFM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.204,229-924-4,6837-97-4,"1,5-dichloro-4,8-dihydroxyanthraquinone","1,5-dichloro-4,8-dihydroxy-9,10-anthraquinone",Oc1ccc(Cl)c2C(=O)c3c(O)ccc(Cl)c3C(=O)c12,Oc1ccc(Cl)c2C(=O)c3c(O)ccc(Cl)c3C(=O)c12,"InChI=1/C14H6Cl2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H",C14H6Cl2O4,,,,,,MVTQMYUSTKVGRP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.208,229-929-1,6843-66-9,Dimethoxydiphenylsilane,dimethoxy(diphenyl)silane,CO[Si](OC)(c1ccccc1)c2ccccc2,CO[Si](OC)(c1ccccc1)c2ccccc2,"InChI=1/C14H16O2Si/c1-15-17(16-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3",C14H16O2Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10957,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.208,AHUXYBVKTIBBJW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.209,229-930-7,6843-97-6,Dodicin,N-(2-{[2-(dodecylamino)ethyl]amino}ethyl)glycine,CCCCCCCCCCCCNCCNCCNCC(=O)O,CCCCCCCCCCCCNCCNCCNCC(=O)O,"InChI=1/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23/h19-21H,2-17H2,1H3,(H,22,23)",C18H39N3O2,,,,,,FSKNXCHJIFBRBT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.216,229-938-0,6849-30-5,Propoxymethanol,propoxymethanol,CCCOCO,CCCOCO,"InChI=1/C4H10O2/c1-2-3-6-4-5/h5H,2-4H2,1H3",C4H10O2,,,,,,BPDIHEGWJJPPSG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.747,216-221-2,1529-68-6,"1,2,3,4-tetrabromobutane","1,2,3,4-tetrabromobutane",BrCC(Br)C(Br)CBr,BrCC(Br)C(Br)CBr,"InChI=1/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2",C4H6Br4,,,,,,HGRZLIGHKHRTRE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.751,215-125-8,1303-86-2,Diboron trioxide,bicyclo[1.1.1]diboroxane,O1B2OB1O2,O1B2OB1O2,InChI=1/B2O3/c3-1-4-2(3)5-1,B2O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15317,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.751,RPPTVYMVSNHGRG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.762,215-137-3,1305-62-0,Calcium dihydroxide,calcium dihydroxide,[OH-].[OH-].[Ca+2],[OH-].[OH-].[Ca+2],InChI=1/Ca.2H2O/h;2*1H2/q+2;;/p-2,CaH2O2,Full,Individual,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6945,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.762,AXCZMVOFGPJBDE-UHFFFAOYSA-L,,,,,,,,,,,
100.013.776,215-153-0,1307-86-4,Cobalt trihydroxide,-,[OH-].[OH-].[OH-].[Co+2],[OH-].[OH-].[OH-].[Co+2],InChI=1/Co.3H2O/h;3*1H2/q+2;;;/p-3,CoH3O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10427,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.776,VWGMCGRTCLVGQL-UHFFFAOYSA-K,,,,,,,,,,,
100.023.163,225-480-0,4873-09-0,Allyl p-toluenesulphonate,allyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OCC=C,Cc1ccc(cc1)S(=O)(=O)OCC=C,"InChI=1/C10H12O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3",C10H12O3S,,,,,,ZSBJCQGJFPHZRC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.174,225-492-6,4882-68-2,"1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethyl]-1,1-dimethylhydrazinium chloride","1-{2-[(4-{[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl)(ethyl)amino]ethyl}-1,1-dimethyldiazanium chloride",[Cl-].Clc2cc(c(Cl)cc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)S(=O)(=O)N(C)C,[Cl-].Clc2cc(c(Cl)cc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)S(=O)(=O)N(C)C,"InChI=1/C20H29Cl2N6O2S.ClH/c1-6-27(11-12-28(4,5)23)16-9-7-15(8-10-16)24-25-19-13-18(22)20(14-17(19)21)31(29,30)26(2)3;/h7-10,13-14H,6,11-12,23H2,1-5H3;1H/q+1;/p-1",C20H29Cl2N6O2S.Cl,,,,,,COZYLWSYSIUNFG-UHFFFAOYSA-M,,,,,,,,,,,
100.023.176,225-494-7,4883-79-8,"Methyl hydrogen (endo-endo)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",3-(methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,O=C(O)[C@H]2[C@@H](C(=O)OC)[C@@H]\\1C[C@H]2/C=C/1,O=C(O)[C@H]2[C@@H](C(=O)OC)[C@@H]\1C[C@H]2/C=C/1,"InChI=1/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)",C10H12O4,,,,,,JYZKYCYHXBQTCY-CWKFCGSDSA-N,,,,,,,,,,,
100.024.570,227-026-7,5606-55-3,"Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate","ethyl 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate",CCOC(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,CCOC(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,"InChI=1/C18H15ClN2O3/c1-2-24-18(23)16-17(22)20-14-9-8-12(19)10-13(14)15(21-16)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3,(H,20,22)",C18H15ClN2O3,,,,,,DTKOQJNQMOCKQU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.571,227-027-2,5608-13-9,4-(acetylamino)-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,4-acetamido-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,CCN(CC)CCNC(=O)c1cc(Cl)c(NC(=O)C)cc1OC,CCN(CC)CCNC(=O)c1cc(Cl)c(NC(=O)C)cc1OC,"InChI=1/C16H24ClN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)",C16H24ClN3O3,,,,,,CUDFIXBYMDJBQT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.581,227-038-2,5616-51-3,"2-methyl-1,3-dithiolane","2-methyl-1,3-dithiolane",CC1SCCS1,CC1SCCS1,"InChI=1/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",C4H8S2,,,,,,CARJCVDELAMAEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.585,227-042-4,5617-54-9,"2,4,6-trioxoheptanedioic acid","2,4,6-trioxoheptanedioic acid",OC(=O)C(=O)CC(=O)CC(=O)C(=O)O,OC(=O)C(=O)CC(=O)CC(=O)C(=O)O,"InChI=1/C7H6O7/c8-3(1-4(9)6(11)12)2-5(10)7(13)14/h1-2H2,(H,11,12)(H,13,14)",C7H6O7,,,,,,VIZWSBKJYCBUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.588,227-046-6,5618-98-4,N-benzyloxycarbonyl-DL-tyrosine,N-[(benzyloxy)carbonyl]tyrosine,OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2,OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2,"InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)",C17H17NO5,,,,,,MCRMUCXATQAAMN-HNNXBMFYSA-N,,,,,,,,,,,
100.027.399,230-138-9,6954-55-8,9H-fluorene-4-carboxylic acid,9H-fluorene-4-carboxylic acid,OC(=O)c1cccc2Cc3ccccc3c12,OC(=O)c1cccc2Cc3ccccc3c12,"InChI=1/C14H10O2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2,(H,15,16)",C14H10O2,,,,,,WJNBLUOXTBTGMB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.400,230-139-4,6956-24-7,1-[4-(dimethylamino)phenyl]-3-methylurea,1-[4-(dimethylamino)phenyl]-3-methylurea,CNC(=O)Nc1ccc(cc1)N(C)C,CNC(=O)Nc1ccc(cc1)N(C)C,"InChI=1/C10H15N3O/c1-11-10(14)12-8-4-6-9(7-5-8)13(2)3/h4-7H,1-3H3,(H2,11,12,14)",C10H15N3O,,,,,,YIEYUMZIUOPBII-UHFFFAOYSA-N,,,,,,,,,,,
100.027.405,230-145-7,6957-22-8,Isonicotinaldehyde (4-pyridylmethylene)hydrazone,"4,4'-(hydrazine-1,2-diylidenedimethylylidene)dipyridine",N(/N=Cc1ccncc1)=C\\c2ccncc2,N(/N=Cc1ccncc1)=C\c2ccncc2,InChI=1/C12H10N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-10H,C12H10N4,,,,,,XLLIUDMGQNPRJS-RMASCIKSSA-N,,,,,,,,,,,
100.027.407,230-147-8,6957-25-1,2-methylnaphtho[2.3-d]thiazole,"2-methylnaphtho[2,3-d][1,3]thiazole",Cc1nc2cc3ccccc3cc2s1,Cc1nc2cc3ccccc3cc2s1,"InChI=1/C12H9NS/c1-8-13-11-6-9-4-2-3-5-10(9)7-12(11)14-8/h2-7H,1H3",C12H9NS,,,,,,VEDVLCBGJDVXTE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.411,230-152-5,6959-66-6,4-methylpyrimidine-2-thiol hydrochloride,4-methylpyrimidine-2-thiol hydrochloride,Cl.Cc1ccnc(S)n1,Cl.Cc1ccnc(S)n1,"InChI=1/C5H6N2S.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H",C5H6N2S.ClH,,,,,,UQJLPBLXSJWAKG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.415,230-156-7,6961-82-6,o-chlorobenzenesulphonamide,2-chlorobenzenesulfonamide,NS(=O)(=O)c1ccccc1Cl,NS(=O)(=O)c1ccccc1Cl,"InChI=1/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)",C6H6ClNO2S,,,,,,JCCBZCMSYUSCFM-UHFFFAOYSA-N,Positive,EQ326001|EQ326002|EQ326003|EQ326004|EQ326005|EQ326006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,174.9613:139.0056:111.0439|174.9614:139.0057:111.044|139.0058:129.0101:111.044|139.0058:129.0101:111.044|139.0057:129.0101:75.0229|75.0229:139.0057:129.0101,Eawag,,,,,
100.027.418,230-159-3,6963-32-2,"2,3-dibromopropylammonium bromide","2,3-dibromopropan-1-aminium bromide",[Br-].[NH3+]CC(Br)CBr,[Br-].[NH3+]CC(Br)CBr,"InChI=1/C3H7Br2N.BrH/c4-1-3(5)2-6;/h3H,1-2,6H2;1H",C3H7Br2N.BrH,,,,,,NQVQUJRBCVAMIL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.427,230-169-8,6965-57-7,N-(aminothioxomethyl)propionamide,N-carbamothioylpropanamide,CCC(=O)NC(=S)N,CCC(=O)NC(=S)N,"InChI=1/C4H8N2OS/c1-2-3(7)6-4(5)8/h2H2,1H3,(H3,5,6,7,8)",C4H8N2OS,,,,,,VVWCJSVUWOIXAD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.430,230-172-4,6965-77-1,N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-p-toluenesulphonamide,N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)N(CCO)CCCO,Cc1ccc(cc1)S(=O)(=O)N(CCO)CCCO,"InChI=1/C12H19NO4S/c1-11-3-5-12(6-4-11)18(16,17)13(8-10-15)7-2-9-14/h3-6,14-15H,2,7-10H2,1H3",C12H19NO4S,,,,,,RUCCTVXPDZVRIG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.431,230-174-5,6965-79-3,4-methyl-<U+03B3>-(1-methylethoxy)benzenebutyronitrile,4-isopropoxy-4-(4-methylphenyl)butanenitrile,CC(C)OC(CCC#N)c1ccc(C)cc1,CC(C)OC(CCC#N)c1ccc(C)cc1,"InChI=1/C14H19NO/c1-11(2)16-14(5-4-10-15)13-8-6-12(3)7-9-13/h6-9,11,14H,4-5H2,1-3H3",C14H19NO,,,,,,AFVNASUMPFJDPV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.436,230-179-2,6967-48-2,"Sodium 8-aminonaphthalene-1,6-disulphonate","disodium 8-aminonaphthalene-1,6-disulfonate",[Na+].[Na+].Nc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H9NO6S2.2Na,,,,,,GAEJRPAVSJPGAS-UHFFFAOYSA-L,,,,,,,,,,,
100.029.085,231-994-6,7783-39-3,Mercury difluoride,mercury difluoride,[F-].[F-].[Hg+2],[F-].[F-].[Hg+2],InChI=1/2FH.Hg/h2*1H;/q;;+2/p-2,F2Hg,,,,,,FMSYTQMJOCCCQS-UHFFFAOYSA-L,,,,,,,,,,,
100.029.090,231-999-3,7783-47-3,Tin difluoride,-,[F-].[F-].[Sn+4],[F-].[F-].[Sn+4],InChI=1/2FH.Sn/h2*1H;/q;;+4/p-2,F2Sn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17354,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.090,LCJKEBXGYULGPY-UHFFFAOYSA-L,,,,,,,,,,,
100.025.859,228-444-2,6269-99-4,N-(2-hydroxyethyl)-2-phenylacetamide,N-(2-hydroxyethyl)-2-phenylacetamide,OCCNC(=O)Cc1ccccc1,OCCNC(=O)Cc1ccccc1,"InChI=1/C10H13NO2/c12-7-6-11-10(13)8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)",C10H13NO2,,,,,,QNVPXZQZKQWBJW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.872,228-458-9,6272-19-1,"Disodium 4-ethoxy-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-ethoxy-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].CCOc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCOc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C12H12O8S2.2Na/c1-2-20-11-6-9(22(17,18)19)4-7-3-8(21(14,15)16)5-10(13)12(7)11;;/h3-6,13H,2H2,1H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2",C12H12O8S2.2Na,,,,,,VEZGIIZOKYHKRR-UHFFFAOYSA-L,,,,,,,,,,,
100.027.505,230-255-5,6988-86-9,"13-carboxy-8,18-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid","13-(2-carboxyethyl)-7,17-diethyl-3,8,12,18-tetramethylporphine-2-carboxylic acid",CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C(=O)O)C)C(=C4CC)C)C(=C3C)CCC(=O)O,CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C(=O)O)C)C(=C4CC)C)C(=C3C)CCC(=O)O,"InChI=1/C32H32N4O4/c1-7-19-15(3)22-11-23-17(5)21(9-10-30(37)38)28(35-23)14-27-20(8-2)16(4)24(34-27)13-29-31(32(39)40)18(6)25(36-29)12-26(19)33-22/h11-14H,7-10H2,1-6H3,(H,37,38)(H,39,40)",C32H34N4O4,,,,,,WQBWSCYNLWLVRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.509,230-259-7,6992-38-7,"[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium hydrogen sulphate","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium hydrogen sulfate",[NH3+]C(CO)(CO)CO.[O-]S(=O)(=O)[O-],[NH3+]C(CO)(CO)CO.[O-]S(=O)(=O)[O-],"InChI=1/C4H11NO3.H2O4S/c5-4(1-6,2-7)3-8;1-5(2,3)4/h6-8H,1-3,5H2;(H2,1,2,3,4)/p-1",C4H11NO3.H2O4S,,,,,,AXRFNWFXORHARM-UHFFFAOYSA-M,,,,,,,,,,,
100.027.513,230-263-9,6994-46-3,"1,4-bis(ethylamino)anthraquinone","1,4-bis(ethylamino)-9,10-anthraquinone",CCNc1ccc(NCC)c2C(=O)c3ccccc3C(=O)c12,CCNc1ccc(NCC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H18N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10,19-20H,3-4H2,1-2H3",C18H18N2O2,,,,,,JUUJTYPMICHIEM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.515,230-266-5,6994-59-8,Tin distearate,-,[Sn+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Sn+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+4/p-2",C18H36O2.1/2Sn,,,,,,HBZZDTYQIBJALG-UHFFFAOYSA-L,,,,,,,,,,,
100.027.516,230-267-0,6994-63-4,"3-nitro-2,6-xylenol","2,6-dimethyl-3-nitrophenol",Cc1ccc(c(C)c1O)N(=O)=O,Cc1ccc(c(C)c1O)N(=O)=O,"InChI=1/C8H9NO3/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4,10H,1-2H3",C8H9NO3,,,,,,TZASZCQVZPLXHP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.252,226-677-4,5451-07-0,"N,N'-dihexadecylethylenediamine","N,N'-dihexadecylethane-1,2-diamine",CCCCCCCCCCCCCCCCNCCNCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCNCCNCCCCCCCCCCCCCCCC,"InChI=1/C34H72N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33-34-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3",C34H72N2,,,,,,ZXQDJNRWUYMIMK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.254,226-680-0,5451-33-2,"6-amino-2,3-dihydro-5-nitroso-2-thioxopyrimidin-4(1H)-one, monoammonium salt",-,[NH4+].NC1=C(N=O)C(=O)NC(=S)N1,[NH4+].NC1=C(N=O)C(=O)NC(=S)N1,"InChI=1/C4H4N4O2S.H3N/c5-2-1(8-10)3(9)7-4(11)6-2;/h(H4,5,6,7,9,11);1H3/p+1",C4H4N4O2S.H3N,,,,,,CABNQNSAWNPRJB-UHFFFAOYSA-O,,,,,,,,,,,
100.024.256,226-682-1,5451-52-5,Decyl formate,decyl formate,CCCCCCCCCCOC=O,CCCCCCCCCCOC=O,"InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h11H,2-10H2,1H3",C11H22O2,,,,,,BCLJZFLDSCTULJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.258,226-684-2,5451-59-2,"2,2,4-trimethylpentane-1,3-diyl diformate","2,2,4-trimethylpentane-1,3-diyl diformate",CC(C)C(OC=O)C(C)(C)COC=O,CC(C)C(OC=O)C(C)(C)COC=O,"InChI=1/C10H18O4/c1-8(2)9(14-7-12)10(3,4)5-13-6-11/h6-9H,5H2,1-4H3",C10H18O4,,,,,,JJSQUEVEQCZSTG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.263,226-690-5,5451-88-7,3-phenylpropyl valerate,3-phenylpropyl valerate,CCCCC(=O)OCCCc1ccccc1,CCCCC(=O)OCCCc1ccccc1,"InChI=1/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3",C14H20O2,,,,,,OKFJJLRWQHMYCM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.265,226-692-6,3/07/5452,3-phenylpropyl isovalerate,3-phenylpropyl 3-methylbutanoate,CC(C)CC(=O)OCCCc1ccccc1,CC(C)CC(=O)OCCCc1ccccc1,"InChI=1/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3",C14H20O2,,,,,,LBNFCOMOXOWXCD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.266,226-693-1,5452-35-7,Cycloheptylamine,cycloheptanamine,NC1CCCCCC1,NC1CCCCCC1,"InChI=1/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2",C7H15N,,,,,,VXVVUHQULXCUPF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.267,226-694-7,5452-37-9,Cyclooctylamine,cyclooctanamine,NC1CCCCCCC1,NC1CCCCCCC1,"InChI=1/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2",C8H17N,,,,,,HSOHBWMXECKEKV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.883,228-470-4,6275-44-1,"4-chloro-2-(4-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one","4,4'-dichloro-2,2'-biindole-3,3'(1H,1'H)-dione",Clc3cccc4NC(=C2Nc1cccc(Cl)c1C2=O)C(=O)c34,Clc3cccc4NC(=C2Nc1cccc(Cl)c1C2=O)C(=O)c34,"InChI=1/C16H8Cl2N2O2/c17-7-3-1-5-9-11(7)15(21)13(19-9)14-16(22)12-8(18)4-2-6-10(12)20-14/h1-6,19-20H",C16H8Cl2N2O2,,,,,,ARRVPHBRLHNLMH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.887,228-475-1,6277-14-1,"(3ß,20ß)-3-acetoxy-11-oxoolean-12-en-29-oic acid",3-acetoxy-11-oxoolean-12-en-29-oic acid,CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)C1(C)C,CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)C1(C)C,"InChI=1/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)",C32H48O5,,,,,,FTQDJVZNPJRVPG-WXXPLGAQSA-N,,,,,,,,,,,
100.025.893,228-481-4,6280-87-1,5-chlorovaleronitrile,5-chloropentanenitrile,ClCCCCC#N,ClCCCCC#N,InChI=1/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2,C5H8ClN,,,,,,JSAWFGSXRPCFSW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.900,228-489-8,6281-32-9,4-quinolylmethanol,quinolin-4-ylmethanol,OCc1ccnc2ccccc12,OCc1ccnc2ccccc12,"InChI=1/C10H9NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-6,12H,7H2",C10H9NO,,,,,,KXYNLLGPBDUAHW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.905,228-495-0,6/02/6282,N-(hydroxymethyl)benzamide,N-(hydroxymethyl)benzamide,OCNC(=O)c1ccccc1,OCNC(=O)c1ccccc1,"InChI=1/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)",C8H9NO2,,,,,,UOUBPDZUBVJZOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.907,228-497-1,6283-24-5,4-aminophenylmercury acetate,(4-aminophenyl)mercury(1+) acetate,CC(=O)[O-].Nc1ccc([Hg+])cc1,CC(=O)[O-].Nc1ccc([Hg+])cc1,"InChI=1/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h2-5H,7H2;1H3,(H,3,4);/q;;+1/p-1/rC6H6HgN.C2H4O2/c7-5-1-3-6(8)4-2-5;1-2(3)4/h1-4H,8H2;1H3,(H,3,4)/q+1;/p-1",C8H9HgNO2,,,,,,RXSUFCOOZSGWSW-UHFFFAOYSA-M,,,,,,,,,,,
100.025.912,228-502-7,6283-74-5,"(3R-trans)-dihydro-2,5-dioxofuran-3,4-diyl diacetate","2,5-dioxotetrahydrofuran-3,4-diyl diacetate",CC(=O)OC1C(OC(=O)C)C(=O)OC1=O,CC(=O)OC1C(OC(=O)C)C(=O)OC1=O,"InChI=1/C8H8O7/c1-3(9)13-5-6(14-4(2)10)8(12)15-7(5)11/h5-6H,1-2H3",C8H8O7,,,,,,XAKITKDHDMPGPW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.913,228-503-2,6283-86-9,2-ethylhexyl lactate,2-ethylhexyl 2-hydroxypropanoate,CCCCC(CC)COC(=O)C(C)O,CCCCC(CC)COC(=O)C(C)O,"InChI=1/C11H22O3/c1-4-6-7-10(5-2)8-14-11(13)9(3)12/h9-10,12H,4-8H2,1-3H3",C11H22O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11649,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.913,FECDACOUYKFOOP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.379,233-430-4,10160-87-9,"3,3-diethoxypropyne","3,3-diethoxyprop-1-yne",CCOC(OCC)C#C,CCOC(OCC)C#C,"InChI=1/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3",C7H12O2,,,,,,RGUXEWWHSQGVRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.381,233-433-0,10163-15-2,Disodium fluorophosphate,phosphorofluoridic acid,OP(=O)(O)F,OP(=O)(O)F,"InChI=1/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)",FH2O3P.2Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2125,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.381,DWYMPOCYEZONEA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.393,233-446-1,10171-38-7,Ethoxymethanol,ethoxymethanol,CCOCO,CCOCO,"InChI=1/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3",C3H8O2,,,,,,RRLWYLINGKISHN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.395,233-448-2,10175-15-2,Butyl(1-methylethoxy)magnesium,butyl(propan-2-olato)magnesium,CCCC[Mg]OC(C)C,CCCC[Mg]OC(C)C,"InChI=1/C4H9.C3H7O.Mg/c1-3-4-2;1-3(2)4;/h1,3-4H2,2H3;3H,1-2H3;/q;-1;+1/rC7H16MgO/c1-4-5-6-8-9-7(2)3/h7H,4-6H2,1-3H3",C7H16MgO,,,,,,NDFSZJQMAMXHHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.396,233-449-8,10175-95-8,"Zinc dibutyl bis[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate]","zinc bis[butyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate]",CCCCOP(=O)(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)O[Zn]OP(=O)(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)OCCCC,CCCCOP(=O)(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)O[Zn]OP(=O)(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)OCCCC,"InChI=1/2C19H33O4P.Zn/c2*1-8-9-10-23-24(21,22)13-14-11-15(18(2,3)4)17(20)16(12-14)19(5,6)7;/h2*11-12,20H,8-10,13H2,1-7H3,(H,21,22);/q;;+2/p-2/rC38H64O8P2Zn/c1-15-17-19-43-47(41,25-27-21-29(35(3,4)5)33(39)30(22-27)36(6,7)8)45-49-46-48(42,44-20-18-16-2)26-28-23-31(37(9,10)11)34(40)32(24-28)38(12,13)14/h21-24,39-40H,15-20,25-26H2,1-14H3",C19H33O4P.1/2Zn,,,,,,JXBMLLSGNATXRM-UHFFFAOYSA-L,,,,,,,,,,,
100.030.398,233-451-9,10181-37-0,9-(4-aminophenyl)acridin-3-amine nitrate,9-(4-aminophenyl)acridin-3-amine nitrate,Nc1ccc(cc1)c2c3ccccc3nc4cc(N)ccc24.O[N+](=O)[O-],Nc1ccc(cc1)c2c3ccccc3nc4cc(N)ccc24.O[N+](=O)[O-],"InChI=1/C19H15N3.HNO3/c20-13-7-5-12(6-8-13)19-15-3-1-2-4-17(15)22-18-11-14(21)9-10-16(18)19;2-1(3)4/h1-11H,20-21H2;(H,2,3,4)",C19H15N3.HNO3,,,,,,QOXAQWDBAHKGBG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.399,233-452-4,10181-46-1,"5,6-dihydroxynaphtho[2,3-f]quinoline-7,12-dione, compound with monosodium sulphite (1:2)","5,6-dihydroxynaphtho[2,3-f]quinoline-7,12-dione, compound with monosodium sulphite (1:2)",[Na+].[Na+].[Na+].[Na+].Oc1c(O)c2ncccc2c3C(=O)c4ccccc4C(=O)c13.[O-]S(=O)[O-].[O-]S(=O)[O-],[Na+].[Na+].[Na+].[Na+].Oc1c(O)c2ncccc2c3C(=O)c4ccccc4C(=O)c13.[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/C17H9NO4.4Na.2H2O3S/c19-14-8-4-1-2-5-9(8)15(20)12-11(14)10-6-3-7-18-13(10)17(22)16(12)21;;;;;2*1-4(2)3/h1-7,21-22H;;;;;2*(H2,1,2,3)/q;4*+1;;/p-4",C17H9NO4.2H2O3S.2Na,,,,,,XNHVQYPDBHMTLH-UHFFFAOYSA-J,,,,,,,,,,,
100.023.180,225-498-9,3/02/4885,Dichloromethoxymethane,dichloro(methoxy)methane,COC(Cl)Cl,COC(Cl)Cl,"InChI=1/C2H4Cl2O/c1-5-2(3)4/h2H,1H3",C2H4Cl2O,,,,,,GRTGGSXWHGKRSB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.181,225-499-4,4887-30-3,Octyl hexanoate,octyl hexanoate,CCCCCCCCOC(=O)CCCCC,CCCCCCCCOC(=O)CCCCC,"InChI=1/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3",C14H28O2,,,,,,CMNMHJVRZHGAAK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.182,225-500-8,4887-42-7,"3,4,5,6-tetrahydro-N-(hydroxymethyl)phthalimide","2-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione",OCN1C(=O)C2=C(CCCC2)C1=O,OCN1C(=O)C2=C(CCCC2)C1=O,"InChI=1/C9H11NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h11H,1-5H2",C9H11NO3,,,,,,QQHOVRKETYPQHY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.184,225-502-9,4887-80-3,5-methoxy-1H-benzimidazole,6-methoxy-1H-benzimidazole,COc1ccc2nc[nH]c2c1,COc1ccc2nc[nH]c2c1,"InChI=1/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)",C8H8N2O,,,,,,ILMHAGCURJPNRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.185,225-503-4,4887-82-5,5-chloro-1H-benzimidazole,6-chloro-1H-benzimidazole,Clc1ccc2nc[nH]c2c1,Clc1ccc2nc[nH]c2c1,"InChI=1/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)",C7H5ClN2,,,,,,NKLOLMQJDLMZRE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.193,225-512-3,4891-15-0,"Estra-1,3,5(10)-triene-3,17ß-diol 3-[bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate)","17-(phosphonooxy)estra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate",CC12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CCC2OP(=O)(O)O,CC12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CCC2OP(=O)(O)O,"InChI=1/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)",C23H32Cl2NO6P,,,,,,ADFOJJHRTBFFOF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.194,225-513-9,4891-71-8,"9-chloro-6a-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-hexanoate","9-chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate",CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,"InChI=1/C28H38ClFO5/c1-5-6-7-8-24(34)35-15-22(32)25-16(2)11-18-19-13-21(30)20-12-17(31)9-10-27(20,4)28(19,29)23(33)14-26(18,25)3/h9-10,12,16,18-19,21,23,25,33H,5-8,11,13-15H2,1-4H3",C28H38ClFO5,,,,,,MMTRTBFDFNRBQO-ANHDKODLSA-N,,,,,,,,,,,
100.023.197,225-517-0,4894-75-1,4-phenylcyclohexanone,4-phenylcyclohexanone,O=C1CCC(CC1)c2ccccc2,O=C1CCC(CC1)c2ccccc2,"InChI=1/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2",C12H14O,,,,,,YKAYMASDSHFOGI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.199,225-519-1,4896-81-5,N-[2-hydroxy-3-[(2-methyl-1-oxoallyl)oxy]propyl]-N-phenylglycine,N-[2-hydroxy-3-(methacryloyloxy)propyl]-N-phenylglycine,CC(=C)C(=O)OCC(O)CN(CC(=O)O)c1ccccc1,CC(=C)C(=O)OCC(O)CN(CC(=O)O)c1ccccc1,"InChI=1/C15H19NO5/c1-11(2)15(20)21-10-13(17)8-16(9-14(18)19)12-6-4-3-5-7-12/h3-7,13,17H,1,8-10H2,2H3,(H,18,19)",C15H19NO5,,,,,,GPLACOONWGSIIP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.202,225-522-8,4897-50-1,"1,4'-bipiperidyl","1,4'-bipiperidine",C1CCN(CC1)C2CCNCC2,C1CCN(CC1)C2CCNCC2,"InChI=1/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2",C10H20N2,,,,,,QDVBKXJMLILLLB-UHFFFAOYSA-N,,,,,,,,,,,
100.012.979,214-276-7,1119-38-6,"[S-(E)]-3,7,11-trimethyldodeca-1,6,10-trien-3-ol","3,7,11-trimethyldodeca-1,6,10-trien-3-ol",CC(=CCCC(=CCCC(C)(O)C=C)C)C,CC(=CCCC(=CCCC(C)(O)C=C)C)C,"InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3",C15H26O,,,,,,FQTLCLSUCSAZDY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.981,214-278-8,1119-44-4,Hept-3-en-2-one,hept-3-en-2-one,CC(=O)C=CCCC,CC(=O)C=CCCC,"InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3",C7H12O,,,,,,JHHZQADGLDKIPM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.992,214-290-3,1119-94-4,Dodecyltrimethylammonium bromide,"N,N,N-trimethyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)C,[Br-].CCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1",C15H34N.Br,,,,,,XJWSAJYUBXQQDR-UHFFFAOYSA-M,,,,,,,,,,,
100.012.993,214-291-9,1119-97-7,Tetradonium bromide,"N,N,N-trimethyltetradecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCC[N+](C)(C)C,[Br-].CCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1",C17H38N.Br,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10710,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.993,CXRFDZFCGOPDTD-UHFFFAOYSA-M,,,,,,,,,,,
100.013.004,214-303-2,1120-25-8,Methyl (Z)-hexadec-9-enoate,methyl hexadec-9-enoate,CCCCCC\\C=C/CCCCCCCC(=O)OC,CCCCCC\C=C/CCCCCCCC(=O)OC,"InChI=1/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3",C17H32O2,,,,,,IZFGRAGOVZCUFB-HJWRWDBZSA-N,,,,,,,,,,,
100.013.010,214-310-0,1120-46-3,Lead dioleate,-,[Pb+2].[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC,[Pb+2].[O-]C(=O)CCCCCCC/C=C\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1/2C18H34O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);;;/q;;+4;;/p-2/r2C18H34O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);1H2/q;;+4/p-2",C18H34O2.1/2Pb,,,,,,OGWDBCXXWRKGJC-CVBJKYQLSA-L,,,,,,,,,,,
100.027.439,230-182-9,6968-24-7,"2,6-dibromo-p-toluidine","2,6-dibromo-4-methylaniline",Cc1cc(Br)c(N)c(Br)c1,Cc1cc(Br)c(N)c(Br)c1,"InChI=1/C7H7Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3",C7H7Br2N,,,,,,ATDIROHVRVQMRO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.442,230-186-0,6968-70-3,4-(3-chloro-1-methoxypropyl)toluene,1-(3-chloro-1-methoxypropyl)-4-methylbenzene,COC(CCCl)c1ccc(C)cc1,COC(CCCl)c1ccc(C)cc1,"InChI=1/C11H15ClO/c1-9-3-5-10(6-4-9)11(13-2)7-8-12/h3-6,11H,7-8H2,1-2H3",C11H15ClO,,,,,,BRGBFUVDFKKJQK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.445,230-189-7,6968-76-9,1-(3-methoxyphenyl)piperazine dihydrochloride,1-(3-methoxyphenyl)piperazine dihydrochloride,Cl.Cl.COc1cccc(c1)N2CCNCC2,Cl.Cl.COc1cccc(c1)N2CCNCC2,"InChI=1/C11H16N2O.2ClH/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;;/h2-4,9,12H,5-8H2,1H3;2*1H",C11H16N2O.2ClH,,,,,,UKUNKQNESKRETR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.191,226-610-9,5437-38-7,2-nitro-m-toluic acid,3-methyl-2-nitrobenzoic acid,Cc1cccc(C(=O)O)c1[N+](=O)[O-],Cc1cccc(C(=O)O)c1[N+](=O)[O-],"InChI=1/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO4,,,,,,DGDAVTPQCQXLGU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.195,226-615-6,5437-98-9,4'-methoxyacetoacetanilide,N-[4-(methoxyacetyl)phenyl]acetamide,COCC(=O)c1ccc(NC(=O)C)cc1,COCC(=O)c1ccc(NC(=O)C)cc1,"InChI=1/C11H13NO3/c1-8(13)12-10-5-3-9(4-6-10)11(14)7-15-2/h3-6H,7H2,1-2H3,(H,12,13)",C11H13NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16462,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.195,LESSBWXWERIDEG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.198,226-618-2,5439-14-5,"3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one","3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one",O=C1CCN2C=CC=CC2=N1,O=C1CCN2C=CC=CC2=N1,"InChI=1/C8H8N2O/c11-8-4-6-10-5-2-1-3-7(10)9-8/h1-3,5H,4,6H2",C8H8N2O,,,,,,XQIOBBHIEUGFCI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.199,226-619-8,5439-85-0,Sodium 8-chloronaphthalene-1-sulphonate,sodium 8-chloronaphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c1cccc2cccc(Cl)c12,[Na+].[O-]S(=O)(=O)c1cccc2cccc(Cl)c12,"InChI=1/C10H7ClO3S.Na/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6H,(H,12,13,14);/q;+1/p-1",C10H7ClO3S.Na,,,,,,NTOJSIQQSYDLML-UHFFFAOYSA-M,,,,,,,,,,,
100.024.205,226-626-6,5440-89-1,5-ethylnonan-2-one,5-ethylnonan-2-one,CCCCC(CC)CCC(=O)C,CCCCC(CC)CCC(=O)C,"InChI=1/C11H22O/c1-4-6-7-11(5-2)9-8-10(3)12/h11H,4-9H2,1-3H3",C11H22O,,,,,,BUGODZVINXTXEH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.209,226-630-8,5441-52-1,"3,5-dimethylcyclohexan-1-ol","3,5-dimethylcyclohexanol",CC1CC(C)CC(O)C1,CC1CC(C)CC(O)C1,"InChI=1/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3",C8H16O,,,,,,WIYNOPYNRFPWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.212,226-633-4,5442-24-0,6-amino-5-nitrosouracil,"6-amino-5-nitrosopyrimidine-2,4(1H,3H)-dione",NC1=C(N=O)C(=O)NC(=O)N1,NC1=C(N=O)C(=O)NC(=O)N1,"InChI=1/C4H4N4O3/c5-2-1(8-11)3(9)7-4(10)6-2/h(H4,5,6,7,9,10)",C4H4N4O3,,,,,,DKPCSXFEWFSECE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.217,226-639-7,5444-02-0,"1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C1=C(/C)\\C=C(\\O)NC1=O,N#C\C1=C(/C)\C=C(\O)NC1=O,"InChI=1/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)",C7H6N2O2,,,,,,YRGYYQCOWUULNF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.224,226-647-0,5445-29-4,Ethyl 2-bromooctanoate,ethyl 2-bromooctanoate,CCCCCCC(Br)C(=O)OCC,CCCCCCC(Br)C(=O)OCC,"InChI=1/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3",C10H19BrO2,,,,,,JIQJOKSCSVMZAN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.226,226-649-1,5445-40-9,Ethyl 2-bromoundecanoate,ethyl 2-bromoundecanoate,CCCCCCCCCC(Br)C(=O)OCC,CCCCCCCCCC(Br)C(=O)OCC,"InChI=1/C13H25BrO2/c1-3-5-6-7-8-9-10-11-12(14)13(15)16-4-2/h12H,3-11H2,1-2H3",C13H25BrO2,,,,,,AJPBEWRTHGLNRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.229,226-652-8,5445-68-1,2-[2-(diethylamino)ethyl]isothiourea monohydrochloride,2-(diethylamino)ethyl imidothiocarbamate hydrochloride,Cl.CCN(CC)CCSC(=N)N,Cl.CCN(CC)CCSC(=N)N,"InChI=1/C7H17N3S.ClH/c1-3-10(4-2)5-6-11-7(8)9;/h3-6H2,1-2H3,(H3,8,9);1H",C7H17N3S.ClH,,,,,,HQPKXVDUSOJXEB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.839,230-623-5,3/08/7225,1-methylpyrrolidin-2-ol,1-methylpyrrolidin-2-ol,CN1CCCC1O,CN1CCCC1O,"InChI=1/C5H11NO/c1-6-4-2-3-5(6)7/h5,7H,2-4H2,1H3",C5H11NO,,,,,,DADJPWXPXLOPEB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.842,230-626-1,7226-88-2,"2,6-dicyclohexyl-p-cresol","2,6-dicyclohexyl-4-methylphenol",Cc1cc(C2CCCCC2)c(O)c(c1)C3CCCCC3,Cc1cc(C2CCCCC2)c(O)c(c1)C3CCCCC3,"InChI=1/C19H28O/c1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3",C19H28O,,,,,,RCALTZPFYQMVGL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.844,230-628-2,7228-00-4,2-[(3-hydroxyphenyl)amino]acetamide,N~2~-(3-hydroxyphenyl)glycinamide,NC(=O)CNc1cccc(O)c1,NC(=O)CNc1cccc(O)c1,"InChI=1/C8H10N2O2/c9-8(12)5-10-6-2-1-3-7(11)4-6/h1-4,10-11H,5H2,(H2,9,12)",C8H10N2O2,,,,,,JEGKOEYHLJTZGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.271,226-698-9,5453-80-5,Bicyclo[2.2.1]hept-5-ene-2-carbaldehyde,bicyclo[2.2.1]hept-5-ene-2-carbaldehyde,O=CC1CC2CC1C=C2,O=CC1CC2CC1C=C2,"InChI=1/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2",C8H10O,,,,,,AJIBZRIAUXVGQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.273,226-700-8,1/09/5454,Decyl butyrate,decyl butyrate,CCCCCCCCCCOC(=O)CCC,CCCCCCCCCCOC(=O)CCC,"InChI=1/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3",C14H28O2,,,,,,PUCQHFICPFUPKW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.274,226-701-3,5/11/5454,2-phenylethyl heptanoate,2-phenylethyl heptanoate,CCCCCCC(=O)OCCc1ccccc1,CCCCCCC(=O)OCCc1ccccc1,"InChI=1/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3",C15H22O2,,,,,,YMPDQHXHLKFWNN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.276,226-703-4,5454-19-3,Decyl propionate,decyl propionate,CCCCCCCCCCOC(=O)CC,CCCCCCCCCCOC(=O)CC,"InChI=1/C13H26O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h3-12H2,1-2H3",C13H26O2,,,,,,HUOYUOXEIKDMFT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.278,226-706-0,5454-22-8,Decyl isobutyrate,decyl 2-methylpropanoate,CCCCCCCCCCOC(=O)C(C)C,CCCCCCCCCCOC(=O)C(C)C,"InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h13H,4-12H2,1-3H3",C14H28O2,,,,,,HGOZECVJNYXKMC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.238,228-862-5,6368-72-5,N-ethyl-1-(4-(phenylazo)phenylazo)-2-naphthylamine,N-ethyl-1-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalen-2-amine,CCNc4ccc1ccccc1c4N=Nc3ccc(N=Nc2ccccc2)cc3,CCNc4ccc1ccccc1c4N=Nc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C24H21N5/c1-2-25-23-17-12-18-8-6-7-11-22(18)24(23)29-28-21-15-13-20(14-16-21)27-26-19-9-4-3-5-10-19/h3-17,25H,2H2,1H3",C24H21N5,,,,,,VKWNTWQXVLKCSG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.243,228-867-2,6369-32-0,Disodium 2-[[1-hydroxy-7-(phenylamino)-3-sulphonato-2-naphthyl]azo]benzoate,disodium 2-[(7-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]benzoate,[Na+].[Na+].[O-]C(=O)c4ccccc4N=Nc2c(cc1ccc(cc1c2O)Nc3ccccc3)S([O-])(=O)=O,[Na+].[Na+].[O-]C(=O)c4ccccc4N=Nc2c(cc1ccc(cc1c2O)Nc3ccccc3)S([O-])(=O)=O,"InChI=1/C23H17N3O6S.2Na/c27-22-18-13-16(24-15-6-2-1-3-7-15)11-10-14(18)12-20(33(30,31)32)21(22)26-25-19-9-5-4-8-17(19)23(28)29;;/h1-13,24,27H,(H,28,29)(H,30,31,32);;/q;2*+1/p-2",C23H17N3O6S.2Na,,,,,,LVOFSWXWJSVXOA-UHFFFAOYSA-L,,,,,,,,,,,
100.027.875,230-662-8,7250-87-5,"1,3-dimorpholinopropan-2-ol","1,3-dimorpholin-4-ylpropan-2-ol",OC(CN1CCOCC1)CN2CCOCC2,OC(CN1CCOCC1)CN2CCOCC2,"InChI=1/C11H22N2O3/c14-11(9-12-1-5-15-6-2-12)10-13-3-7-16-8-4-13/h11,14H,1-10H2",C11H22N2O3,,,,,,YTAILAZJMHRYOR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.877,230-664-9,7251-61-8,2-methylquinoxaline,2-methylquinoxaline,Cc1cnc2ccccc2n1,Cc1cnc2ccccc2n1,"InChI=1/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3",C9H8N2,,,,,,ALHUXMDEZNLFTA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.881,230-669-6,7252-83-7,"2-bromo-1,1-dimethoxyethane","2-bromo-1,1-dimethoxyethane",COC(CBr)OC,COC(CBr)OC,"InChI=1/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3",C4H9BrO2,,,,,,FUSFWUFSEJXMRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.882,230-670-1,7252-84-8,6-methoxypyridazin-3-amine,6-methoxypyridazin-3-amine,COc1ccc(N)nn1,COc1ccc(N)nn1,"InChI=1/C5H7N3O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7)",C5H7N3O,,,,,,YPWBPONDYDVMLX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.886,230-674-3,7254-21-9,1-benzyl-a-phenylpiperidine-4-acetonitrile,(1-benzylpiperidin-4-yl)(phenyl)acetonitrile,N#CC(C1CCN(Cc2ccccc2)CC1)c3ccccc3,N#CC(C1CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C20H22N2/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17/h1-10,19-20H,11-14,16H2",C20H22N2,,,,,,MHFBISFDLRWTLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.888,230-676-4,5/05/7256,6-tert-butyl-4-nitroso-o-cresol,2-tert-butyl-6-methyl-4-nitrosophenol,Cc1cc(cc(c1O)C(C)(C)C)N=O,Cc1cc(cc(c1O)C(C)(C)C)N=O,"InChI=1/C11H15NO2/c1-7-5-8(12-14)6-9(10(7)13)11(2,3)4/h5-6,13H,1-4H3",C11H15NO2,,,,,,OWQGDXJYRASCMS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.893,230-682-7,7261-59-8,N-(2-aminoethyl)-N'-octylethylenediamine,"N-(2-aminoethyl)-N'-octylethane-1,2-diamine",CCCCCCCCNCCNCCN,CCCCCCCCNCCNCCN,"InChI=1/C12H29N3/c1-2-3-4-5-6-7-9-14-11-12-15-10-8-13/h14-15H,2-13H2,1H3",C12H29N3,,,,,,YBUMEUMBIWOBBF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.894,230-683-2,7261-63-4,N-(2-aminoethyl)-N'-octadecylethylenediamine,"N-(2-aminoethyl)-N'-octadecylethane-1,2-diamine",CCCCCCCCCCCCCCCCCCNCCNCCN,CCCCCCCCCCCCCCCCCCNCCNCCN,"InChI=1/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h24-25H,2-23H2,1H3",C22H49N3,,,,,,DBNYMXPUYZOHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.895,230-684-8,7261-97-4,Dantrolene,"1-({[5-(4-nitrophenyl)-2-furyl]methylene}amino)imidazolidine-2,4-dione",[O-][N+](=O)c1ccc(cc1)c3ccc(C=NN2CC(=O)NC2=O)o3,[O-][N+](=O)c1ccc(cc1)c3ccc(C=NN2CC(=O)NC2=O)o3,"InChI=1/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)",C14H10N4O5,,,,,,OZOMQRBLCMDCEG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.406,233-460-8,10190-66-6,"Sodium p-[(2,4-diaminophenyl)azo]benzenesulphonate","sodium 4-[(2,4-diaminophenyl)diazenyl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1N)cc2,[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1N)cc2,"InChI=1/C12H12N4O3S.Na/c13-8-1-6-12(11(14)7-8)16-15-9-2-4-10(5-3-9)20(17,18)19;/h1-7H,13-14H2,(H,17,18,19);/q;+1/p-1",C12H12N4O3S.Na,,,,,,UMTLYUSRNLIFQI-UHFFFAOYSA-M,,,,,,,,,,,
100.030.411,233-466-0,10191-41-0,"3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,"InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3",C29H50O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11866,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.411,GVJHHUAWPYXKBD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.415,233-470-2,10192-32-2,Tetracosene,tetracos-1-ene,CCCCCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C24H48/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-24H2,2H3",C24H48,,,,,,ZDLBWMYNYNATIW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.419,233-474-4,10192-93-5,"1,1'-(1,2-diethyl-1,2-dimethylethylene)bisbenzene","1,1'-(3,4-dimethylhexane-3,4-diyl)dibenzene",CCC(C)(c1ccccc1)C(C)(CC)c2ccccc2,CCC(C)(c1ccccc1)C(C)(CC)c2ccccc2,"InChI=1/C20H26/c1-5-19(3,17-13-9-7-10-14-17)20(4,6-2)18-15-11-8-12-16-18/h7-16H,5-6H2,1-4H3",C20H26,,,,,,WQJUBZMZVKITBU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.267,228-893-4,6371-19-3,6-chloro-2-(6-methoxy-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one,"6-chloro-6'-methoxy-4-methyl-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",COc1ccc2C(=O)C(Sc2c1)=C4Sc3cc(Cl)cc(C)c3C4=O,COc1ccc2C(=O)C(Sc2c1)=C4Sc3cc(Cl)cc(C)c3C4=O,"InChI=1/C18H11ClO3S2/c1-8-5-9(19)6-13-14(8)16(21)18(24-13)17-15(20)11-4-3-10(22-2)7-12(11)23-17/h3-7H,1-2H3",C18H11ClO3S2,,,,,,RKCISMQZUPCBNF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.268,228-895-5,6371-23-9,"5,7-dichloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one","5,6',7-trichloro-4,4'-dimethyl-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",O=C3c4c(C)c(Cl)cc(Cl)c4SC3=C2Sc1cc(Cl)cc(C)c1C2=O,O=C3c4c(C)c(Cl)cc(Cl)c4SC3=C2Sc1cc(Cl)cc(C)c1C2=O,"InChI=1/C18H9Cl3O2S2/c1-6-3-8(19)4-11-12(6)14(22)17(24-11)18-15(23)13-7(2)9(20)5-10(21)16(13)25-18/h3-5H,1-2H3",C18H9Cl3O2S2,,,,,,TULCTDCFTZEZKK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.281,228-908-4,5/07/6373,"9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium stearate","9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium stearate",CCCCCCCCCCCCCCCCCC(=O)[O-].CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,CCCCCCCCCCCCCCCCCC(=O)[O-].CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,"InChI=1/C28H30N2O3.C18H36O2/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-18H,5-8H2,1-4H3;2-17H2,1H3,(H,19,20)",C28H31N2O3.C18H35O2,,,,,,FQVFCEWHQYYZPM-UHFFFAOYSA-M,,,,,,,,,,,
100.026.286,228-914-7,6373-20-2,"3,12,16,17-tetrachloroviolanthrene-5,10-dione","3,12,16,17-tetrachloroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",Clc1ccc2c(c1)C(=O)c3ccc4c5ccc6C(=O)c7cc(Cl)ccc7c8cc(Cl)c(c9c(Cl)cc2c3c49)c5c68,Clc1ccc2c(c1)C(=O)c3ccc4c5ccc6C(=O)c7cc(Cl)ccc7c8cc(Cl)c(c9c(Cl)cc2c3c49)c5c68,InChI=1/C34H12Cl4O2/c35-13-1-3-15-21-11-25(37)31-29-17(5-7-19(27(21)29)33(39)23(15)9-13)18-6-8-20-28-22(12-26(38)32(31)30(18)28)16-4-2-14(36)10-24(16)34(20)40/h1-12H,C34H12Cl4O2,,,,,,DCIGCIBVJSBHMN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.293,228-922-0,6373-79-1,"Disodium 3,3'-[sulphonylbis[(2-nitro-p-phenylene)imino]]bis[6-anilinobenzenesulphonate]","disodium 3,3'-{sulfonylbis[(3-nitro-4,1-phenylene)imino]}bis(6-anilinobenzenesulfonate)",[Na+].[Na+].[O-][N+](=O)c1cc(Nc2ccc(Nc3ccccc3)c(c2)S(=O)(=O)[O-])ccc1S(=O)(=O)c4ccc(Nc5ccc(Nc6ccccc6)c(c5)S(=O)(=O)[O-])cc4[N+](=O)[O-],[Na+].[Na+].[O-][N+](=O)c1cc(Nc2ccc(Nc3ccccc3)c(c2)S(=O)(=O)[O-])ccc1S(=O)(=O)c4ccc(Nc5ccc(Nc6ccccc6)c(c5)S(=O)(=O)[O-])cc4[N+](=O)[O-],"InChI=1/C36H28N6O12S3.2Na/c43-41(44)31-19-25(37-27-11-15-29(35(21-27)56(49,50)51)39-23-7-3-1-4-8-23)13-17-33(31)55(47,48)34-18-14-26(20-32(34)42(45)46)38-28-12-16-30(36(22-28)57(52,53)54)40-24-9-5-2-6-10-24;;/h1-22,37-40H,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2",C36H28N6O12S3.2Na,,,,,,KRRVWZQUVRXQKT-UHFFFAOYSA-L,,,,,,,,,,,
100.026.299,228-928-3,6374-92-1,"5,7-dichloro-1H-indole-2,3-dione","5,7-dichloro-1H-indole-2,3-dione",Clc1cc(Cl)c2NC(=O)C(=O)c2c1,Clc1cc(Cl)c2NC(=O)C(=O)c2c1,"InChI=1/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)",C8H3Cl2NO2,,,,,,AYGGQJHJRFZDFH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.915,228-505-3,6284-35-1,(-)-menthyl benzoate,2-isopropyl-5-methylcyclohexyl benzoate,O=C(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c2ccccc2,O=C(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c2ccccc2,"InChI=1/C17H24O2/c1-12(2)15-10-9-13(3)11-16(15)19-17(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3",C17H24O2,,,,,,TTYVYRHNIVBWCB-VNQPRFMTSA-N,,,,,,,,,,,
100.025.931,228-523-1,6287-86-1,Ethyl 4-formylbenzoate,ethyl 4-formylbenzoate,CCOC(=O)c1ccc(C=O)cc1,CCOC(=O)c1ccc(C=O)cc1,"InChI=1/C10H10O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3",C10H10O3,,,,,,BHYVHYPBRYOMGC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.014,214-314-2,1120-57-6,Chlorocyclobutane,chlorocyclobutane,ClC1CCC1,ClC1CCC1,"InChI=1/C4H7Cl/c5-4-2-1-3-4/h4H,1-3H2",C4H7Cl,,,,,,STJYMUBZVMSMBP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.016,214-316-3,1120-64-5,2-methyl-2-oxazoline,"2-methyl-4,5-dihydro-1,3-oxazole",CC1=NCCO1,CC1=NCCO1,"InChI=1/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3",C4H7NO,,,,,,GUXJXWKCUUWCLX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.024,214-325-2,1121-03-5,"3-methyl-1,2-oxathiolane 2,2-dioxide","3-methyl-1,2-oxathiolane 2,2-dioxide",CC1CCOS1(=O)=O,CC1CCOS1(=O)=O,"InChI=1/C4H8O3S/c1-4-2-3-7-8(4,5)6/h4H,2-3H2,1H3",C4H8O3S,,,,,,VWEYDBUEGDKEHC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.025,214-326-8,1121-24-0,o-mercaptophenol,2-sulfanylphenol,Oc1ccccc1S,Oc1ccccc1S,"InChI=1/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",C6H6OS,,,,,,VMKYTRPNOVFCGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.238,229-962-1,6864-37-5,"2,2'-dimethyl-4,4'-methylenebis(cyclohexylamine)","4,4'-methylenebis(2-methylcyclohexanamine)",CC1CC(CC2CCC(N)C(C)C2)CCC1N,CC1CC(CC2CCC(N)C(C)C2)CCC1N,"InChI=1/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3",C15H30N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2200,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.238,IGSBHTZEJMPDSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.247,229-972-6,6872-17-9,"5-chloro-1,3,3-trimethyl-2-methyleneindoline","5-chloro-1,3,3-trimethyl-2-methyleneindoline",CN1C(=C)C(C)(C)c2cc(Cl)ccc12,CN1C(=C)C(C)(C)c2cc(Cl)ccc12,"InChI=1/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3",C12H14ClN,,,,,,VDMXGJJMPKAYQP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.877,231-764-5,7722-76-1,Ammonium dihydrogenorthophosphate,ammonium dihydrogen phosphate,[NH4+].OP(=O)(O)[O-],[NH4+].OP(=O)(O)[O-],"InChI=1/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)",H3N.H3O4P,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15548,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.877,LFVGISIMTYGQHF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.899,231-788-6,7730-20-3,6-fluoro-DL-tryptophan,6-fluoro-L-tryptophan,OC(=O)[C@@H](N)Cc2cnc1cc(F)ccc12,OC(=O)[C@@H](N)Cc2cnc1cc(F)ccc12,"InChI=1/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)",C11H11FN2O2,,,,,,YMEXGEAJNZRQEH-VIFPVBQESA-N,,,,,,,,,,,
100.028.903,231-792-8,7732-97-0,"Estra-1,3,5(10)-triene-3,17ß-diol diheptanoate","estra-1,3,5(10)-triene-3,17-diyl diheptanoate",CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CCCCCC)ccc4[C@H]3CC[C@]12C,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CCCCCC)ccc4[C@H]3CC[C@]12C,"InChI=1/C32H48O4/c1-4-6-8-10-12-30(33)35-24-15-17-25-23(22-24)14-16-27-26(25)20-21-32(3)28(27)18-19-29(32)36-31(34)13-11-9-7-5-2/h15,17,22,26-29H,4-14,16,18-21H2,1-3H3",C32H48O4,,,,,,OVAHZPTYWMWNKO-CAHAWPIUSA-N,,,,,,,,,,,
100.028.908,231-798-0,7737-17-9,Aminoacetone hydrochloride,1-aminoacetone hydrochloride,Cl.CC(=O)CN,Cl.CC(=O)CN,"InChI=1/C3H7NO.ClH/c1-3(5)2-4;/h2,4H2,1H3;1H",C3H7NO.ClH,,,,,,RUCLDQBBIJKQHO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.909,231-799-6,7738-93-4,"Androsta-1,4-diene-3,11,17-trione","androsta-1,4-diene-3,11,17-trione",C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,"InChI=1/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-14,17H,3-6,10H2,1-2H3",C19H22O3,,,,,,RZACPWSZIQKVDY-IRIMSJTPSA-N,,,,,,,,,,,
100.013.815,215-196-5,1312-46-5,Iridium tetrahydroxide,-,[OH-].[OH-].[OH-].[OH-].[Ir+3],[OH-].[OH-].[OH-].[OH-].[Ir+3],InChI=1/Ir.4H2O/h;4*1H2/q+3;;;;/p-4,Ir2O3,,,,,,YDIYAALYJCQJRZ-UHFFFAOYSA-J,,,,,,,,,,,
100.013.818,215-199-1,1312-76-1,"Silicic acid, potassium salt",potassium hydroxy(oxo)silanolate,[K+].O[Si](=O)[O-],[K+].O[Si](=O)[O-],InChI=1/K.HO3Si/c;1-4(2)3/h;1H/q+1;-1,-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16158,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.818,WMWBFVSTSRDWRL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.833,215-215-7,1313-99-1,Nickel monoxide,oxonickel,O=[Ni],O=[Ni],InChI=1/Ni.O/rNiO/c1-2,NiO,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15533,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.833,GNRSAWUEBMWBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.852,215-236-1,1314-56-3,Diphosphorus pentaoxide,"1,3-dioxodiphosphoxane 1,3-dioxide",O=P(=O)OP(=O)=O,O=P(=O)OP(=O)=O,InChI=1/O5P2/c1-6(2)5-7(3)4,O5P2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15395,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.852,YWEUIGNSBFLMFL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.855,215-239-8,1314-62-1,Divanadium pentaoxide,-,O=[V](=O)O[V](=O)=O,O=[V](=O)O[V](=O)=O,InChI=1/5O.2V/rO5V2/c1-6(2)5-7(3)4,O5V2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15418,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.855,GNTDGMZSJNCJKK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.208,225-529-6,4900-66-7,2-methoxy-1-nitronaphthalene,2-methoxy-1-nitronaphthalene,COc1ccc2ccccc2c1[N+](=O)[O-],COc1ccc2ccccc2c1[N+](=O)[O-],"InChI=1/C11H9NO3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3",C11H9NO3,,,,,,XDNSKIDXVJNJFO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.211,225-532-2,7/09/4903,3-chloro-p-anisaldehyde,3-chloro-4-methoxybenzaldehyde,COc1ccc(C=O)cc1Cl,COc1ccc(C=O)cc1Cl,"InChI=1/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3",C8H7ClO2,,,,,,WYVGYYIZXPXHAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.214,225-535-9,4906-22-3,"Tetramethyl-4,4'-biphenylquinone","3,3',5,5'-tetramethyl-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione",CC1=CC(=C2C=C(C)C(=O)C(=C2)C)C=C(C)C1=O,CC1=CC(=C2C=C(C)C(=O)C(=C2)C)C=C(C)C1=O,"InChI=1/C16H16O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8H,1-4H3",C16H16O2,,,,,,QDRFIDSUGRGGAY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.847,230-631-9,7228-78-6,"3-(ß-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride","5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl beta-D-glucopyranoside chloride",[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O,[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O,"InChI=1/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H",C23H25O12.Cl,,,,,,SACPMPKNLRJABS-DIONPBRTSA-M,,,,,,,,,,,
100.027.854,230-639-2,7239-24-9,"N,N-dimethylisobutylamine","N,N,2-trimethylpropan-1-amine",CC(C)CN(C)C,CC(C)CN(C)C,"InChI=1/C6H15N/c1-6(2)5-7(3)4/h6H,5H2,1-4H3",C6H15N,,,,,,GDHRQDYGUDOEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.862,230-648-1,7244-14-6,"7-hydroxy-8-[(4-sulphonaphthyl)azo]naphthalene-1,3-disulphonic acid","7-hydroxy-8-[(4-sulfo-1-naphthyl)diazenyl]naphthalene-1,3-disulfonic acid",OS(=O)(=O)c4ccc(N=Nc1c2c(ccc1O)cc(cc2S(O)(=O)=O)S(O)(=O)=O)c3ccccc34,OS(=O)(=O)c4ccc(N=Nc1c2c(ccc1O)cc(cc2S(O)(=O)=O)S(O)(=O)=O)c3ccccc34,"InChI=1/C20H14N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)",C20H14N2O10S3,,,,,,JZGWEIPJUAIDHM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.864,230-650-2,7244-77-1,1-nitro-4-propoxybenzene,1-nitro-4-propoxybenzene,CCCOc1ccc(cc1)[N+](=O)[O-],CCCOc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H11NO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3",C9H11NO3,,,,,,AWOXUNCNGSHHSP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.375,233-426-2,10155-47-2,3-hydroxy-N-(3-morpholinopropyl)-2-naphthamide,3-hydroxy-N-(3-morpholin-4-ylpropyl)-2-naphthamide,Oc1cc2ccccc2cc1C(=O)NCCCN3CCOCC3,Oc1cc2ccccc2cc1C(=O)NCCCN3CCOCC3,"InChI=1/C18H22N2O3/c21-17-13-15-5-2-1-4-14(15)12-16(17)18(22)19-6-3-7-20-8-10-23-11-9-20/h1-2,4-5,12-13,21H,3,6-11H2,(H,19,22)",C18H22N2O3,,,,,,OTEFEXJNJQIESQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.376,233-427-8,10155-48-3,7-bromo-3-hydroxy-N-[3-(morpholin-4-yl)propyl]naphthalene-2-carboxamide,7-bromo-3-hydroxy-N-(3-morpholin-4-ylpropyl)-2-naphthamide,Oc1cc2ccc(Br)cc2cc1C(=O)NCCCN3CCOCC3,Oc1cc2ccc(Br)cc2cc1C(=O)NCCCN3CCOCC3,"InChI=1/C18H21BrN2O3/c19-15-3-2-13-12-17(22)16(11-14(13)10-15)18(23)20-4-1-5-21-6-8-24-9-7-21/h2-3,10-12,22H,1,4-9H2,(H,20,23)",C18H21BrN2O3,,,,,,PVZXJTNWDZNFJH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.590,227-048-7,6/05/5619,Methyl DL-valinate hydrochloride,methyl L-valinate hydrochloride,Cl.COC(=O)[C@@H](N)C(C)C,Cl.COC(=O)[C@@H](N)C(C)C,"InChI=1/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H",C6H13NO2.ClH,,,,,,KUGLDBMQKZTXPW-JEDNCBNOSA-N,,,,,,,,,,,
100.024.594,227-052-9,5623-45-0,"2,2',4,4',6,6'-hexamethylbenzophenone",dimesitylmethanone,Cc1cc(C)c(C(=O)c2c(C)cc(C)cc2C)c(C)c1,Cc1cc(C)c(C(=O)c2c(C)cc(C)cc2C)c(C)c1,"InChI=1/C19H22O/c1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3",C19H22O,,,,,,SKMUIZHHMAPKIV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.605,227-064-4,5626-34-6,Prednisolamate,"11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylglycinate",CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C27H39NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h9,11,13,19-21,24,30,33H,5-8,10,12,14-16H2,1-4H3",C27H39NO6,,,,,,ILZSJEITWDWIRX-FOMYWIRZSA-N,,,,,,,,,,,
100.024.612,227-072-8,5633-14-7,"3-phenyl-1'-(phenylmethyl)[3,4'-bipiperidine]-2,6-dione monohydrochloride","1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione hydrochloride",Cl.O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c4ccccc4,Cl.O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c4ccccc4,"InChI=1/C23H26N2O2.ClH/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2,(H,24,26,27);1H",C23H26N2O2.ClH,,,,,,XSOOSXRNMDUWEM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.616,227-077-5,5634-34-4,"3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 2-amino-2-methylpropan-1-ol (1:1)","1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-amino-2-methylpropan-1-ol (1:1)",CN1C(=O)N(C)c2[nH]cnc2C1=O.CC(C)(N)CO,CN1C(=O)N(C)c2[nH]cnc2C1=O.CC(C)(N)CO,"InChI=1/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3",C7H8N4O2.C4H11NO,,,,,,SEIRRUDMPNNSCY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.619,227-080-1,5634-41-3,Parapenzolate bromide,"4-[2-hydroxy(diphenyl)acetoxy]-1,1-dimethylpiperidinium bromide",[Br-].C[N+]1(C)CCC(CC1)OC(=O)C(O)(c2ccccc2)c3ccccc3,[Br-].C[N+]1(C)CCC(CC1)OC(=O)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C21H26NO3.BrH/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19,24H,13-16H2,1-2H3;1H/q+1;/p-1",C21H26NO3.Br,,,,,,NHTZWXHFTDRAEO-UHFFFAOYSA-M,,,,,,,,,,,
100.026.254,228-879-8,6370-25-8,"N,N-diethyl-4-nitroso-o-toluidine","N,N-diethyl-2-methyl-4-nitrosoaniline",CCN(CC)c1ccc(cc1C)N=O,CCN(CC)c1ccc(cc1C)N=O,"InChI=1/C11H16N2O/c1-4-13(5-2)11-7-6-10(12-14)8-9(11)3/h6-8H,4-5H2,1-3H3",C11H16N2O,,,,,,MANVNUMIDMOMOS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.258,228-884-5,6370-46-3,"5-(3,5-dinitro-2-hydroxyphenylazo)-6-hydroxy-m-methylacetanilide","N-{2-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-5-methylphenyl}acetamide",Oc2c(cc(C)cc2N=Nc1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O)NC(C)=O,Oc2c(cc(C)cc2N=Nc1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O)NC(C)=O,"InChI=1/C15H13N5O7/c1-7-3-10(16-8(2)21)14(22)11(4-7)17-18-12-5-9(19(24)25)6-13(15(12)23)20(26)27/h3-6,22-23H,1-2H3,(H,16,21)",C15H13N5O7,,,,,,YRAINWPKPRBSTH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.905,230-695-8,7279-75-6,Isoetarine mesilate,"4-[1-hydroxy-2-(isopropylamino)butyl]benzene-1,2-diol",CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,"InChI=1/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3",C13H21NO3.CH4O3S,,,,,,HUYWAWARQUIQLE-UHFFFAOYSA-N,,,,,,,,,,,
100.029.095,232-005-0,7783-52-0,Indium trifluoride,indium trifluoride,[F-].[F-].[F-].[In+3],[F-].[F-].[F-].[In+3],InChI=1/3FH.In/h3*1H;/q;;;+3/p-3,F3In,,,,,,JNLSTWIBJFIVHZ-UHFFFAOYSA-K,,,,,,,,,,,
100.029.096,232-006-6,7783-53-1,Manganese trifluoride,manganese(3+) trifluoride,[F-].[F-].[F-].[Mn+3],[F-].[F-].[F-].[Mn+3],InChI=1/3FH.Mn/h3*1H;/q;;;+3/p-3,F3Mn,,,,,,SRVINXWCFNHIQZ-UHFFFAOYSA-K,,,,,,,,,,,
100.029.103,232-013-4,7783-60-0,Sulphur tetrafluoride,sulphur tetrafluoride,[F-].[F-].[F-].[F-].[SH4+2].[SH4+2],[F-].[F-].[F-].[F-].[SH4+2].[SH4+2],InChI=1/4FH.2H4S/h4*1H;2*1H4/q;;;;2*+2/p-4,F4S,,,,,,YQRNIGOZOJCJSI-UHFFFAOYSA-J,,,,,,,,,,,
100.029.105,232-016-0,7783-62-2,Tetrafluorostannane,tetrafluorostannane,F[Sn](F)(F)F,F[Sn](F)(F)F,InChI=1/4FH.Sn/h4*1H;/q;;;;+4/p-4,F4Sn,,,,,,YUOWTJMRMWQJDA-UHFFFAOYSA-J,,,,,,,,,,,
100.029.106,232-017-6,7783-63-3,Titanium tetrafluoride,titanium tetrafluoride,[F-].[F-].[F-].[F-].[Ti+2].[Ti+2],[F-].[F-].[F-].[F-].[Ti+2].[Ti+2],InChI=1/4FH.2Ti/h4*1H;;/q;;;;2*+2/p-4,F4Ti,,,,,,VHIAGHNQBFWVPM-UHFFFAOYSA-J,,,,,,,,,,,
100.029.110,232-021-8,7783-70-2,Antimony pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[SbH3+3],[F-].[F-].[F-].[F-].[F-].[SbH3+3],InChI=1/5FH.Sb.3H/h5*1H;;;;/q;;;;;+3;;;/p-5/r5FH.H3Sb/h5*1H;1H3/q;;;;;+3/p-5,F5Sb,,,,,,CCIMPPQYTRNALI-UHFFFAOYSA-I,,,,,,,,,,,
100.029.121,232-033-3,7783-90-6,Silver chloride,silver(1+) chloride,[Cl-].[Ag+],[Cl-].[Ag+],InChI=1/Ag.ClH/h;1H/q+1;/p-1,AgCl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15005,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.121,HKZLPVFGJNLROG-UHFFFAOYSA-M,,,,,,,,,,,
100.023.877,226-264-9,5337-72-4,"2,6-dimethylcyclohexan-1-ol","2,6-dimethylcyclohexanol",CC1CCCC(C)C1O,CC1CCCC(C)C1O,"InChI=1/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3",C8H16O,,,,,,MOISVRZIQDQVPF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.878,226-265-4,5337-79-1,3-(4-pyridyl)acrylic acid,3-pyridin-4-ylacrylic acid,OC(=O)\\C=C\\c1ccncc1,OC(=O)\C=C\c1ccncc1,"InChI=1/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)",C8H7NO2,,,,,,SSAYTINUCCRGDR-OWOJBTEDSA-N,,,,,,,,,,,
100.023.882,226-270-1,5338-18-1,"2,2'-(acetylimino)diethyl diacetate","(acetylimino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(=O)C)C(=O)C,CC(=O)OCCN(CCOC(=O)C)C(=O)C,"InChI=1/C10H17NO5/c1-8(12)11(4-6-15-9(2)13)5-7-16-10(3)14/h4-7H2,1-3H3",C10H17NO5,,,,,,JIPCOUYOBWRZJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.885,226-273-8,5339-74-2,4-hydroxybenzaldehyde thiosemicarbazone,4-hydroxybenzaldehyde thiosemicarbazone,NC(=S)N\\N=C\\c1ccc(O)cc1,NC(=S)N\N=C\c1ccc(O)cc1,"InChI=1/C8H9N3OS/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)",C8H9N3OS,,,,,,IKDRFCOUGSBGNI-BJMVGYQFSA-N,,,,,,,,,,,
100.023.893,226-282-7,5341-58-2,3-hydroxy-2-naphthohydrazide,3-hydroxy-2-naphthohydrazide,NNC(=O)c1cc2ccccc2cc1O,NNC(=O)c1cc2ccccc2cc1O,"InChI=1/C11H10N2O2/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,12H2,(H,13,15)",C11H10N2O2,,,,,,FDNAQCWUERCJBK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.894,226-283-2,5341-61-7,Hydrazine dihydrochloride,hydrazine dihydrochloride,Cl.Cl.NN,Cl.Cl.NN,InChI=1/2ClH.H4N2/c;;1-2/h2*1H;1-2H2,ClH.1/2H4N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12168,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.894,LIAWOTKNAVAKCX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.523,230-274-9,7000-29-5,Calcium magnesium dicarbonate,calcium magnesium dicarbonate,[Mg+2].[Ca+2].[O-]C(=O)[O-].[O-]C(=O)[O-],[Mg+2].[Ca+2].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/2CH2O3.Ca.Mg/c2*2-1(3)4;;/h2*(H2,2,3,4);;/q;;2*+2/p-4",CH2O3.1/2Ca.1/2Mg,,,,,,HHSPVTKDOHQBKF-UHFFFAOYSA-J,,,,,,,,,,,
100.027.530,230-282-2,7006-60-2,Benzyltris(2-hydroxyethyl)ammonium chloride,"N-benzyl-2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium chloride",[Cl-].OCC[N+](CCO)(CCO)Cc1ccccc1,[Cl-].OCC[N+](CCO)(CCO)Cc1ccccc1,"InChI=1/C13H22NO3.ClH/c15-9-6-14(7-10-16,8-11-17)12-13-4-2-1-3-5-13;/h1-5,15-17H,6-12H2;1H/q+1;/p-1",C13H22NO3.Cl,,,,,,VTHIOEPDLCDHLH-UHFFFAOYSA-M,,,,,,,,,,,
100.027.532,230-284-3,7008-85-7,4-diazo-4H-imidazole-5-carboxamide,4-diazo-4H-imidazole-5-carboxamide,NC(=O)C1=NC=NC1=[N+]=[N-],NC(=O)C1=NC=NC1=[N+]=[N-],"InChI=1/C4H3N5O/c5-3(10)2-4(9-6)8-1-7-2/h1H,(H2,5,10)",C4H3N5O,,,,,,IKZLMSPFYNDYIL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.933,228-525-2,6288-63-7,N-(2-chloroethyl)benzylamine hydrochloride,N-benzyl-2-chloroethanamine hydrochloride,Cl.ClCCNCc1ccccc1,Cl.ClCCNCc1ccccc1,"InChI=1/C9H12ClN.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5,11H,6-8H2;1H",C9H12ClN.ClH,,,,,,RAJZCNAPSJZGBF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.942,228-535-7,6290-14-8,Cyclopentyl isobutyrate,cyclopentyl 2-methylpropanoate,CC(C)C(=O)OC1CCCC1,CC(C)C(=O)OC1CCCC1,"InChI=1/C9H16O2/c1-7(2)9(10)11-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3",C9H16O2,,,,,,MKIBNFZXBZAOJL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.947,228-540-4,6/01/6291,Cyclobutylammonium chloride,cyclobutanaminium chloride,[Cl-].[NH3+]C1CCC1,[Cl-].[NH3+]C1CCC1,"InChI=1/C4H9N.ClH/c5-4-2-1-3-4;/h4H,1-3,5H2;1H",C4H9N.ClH,,,,,,NFAZOGXQOWEWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.954,228-548-8,6292-62-2,"Stilbene-4,4'-dicarbonitrile","4,4'-ethene-1,2-diyldibenzonitrile",N#Cc1ccc(\\C=C\\c2ccc(cc2)C#N)cc1,N#Cc1ccc(\C=C\c2ccc(cc2)C#N)cc1,InChI=1/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H,C16H10N2,,,,,,RNIZPDIBRXCMRD-OWOJBTEDSA-N,,,,,,,,,,,
100.025.965,228-560-3,6294-89-9,Methyl carbazate,methyl hydrazinecarboxylate,COC(=O)NN,COC(=O)NN,"InChI=1/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)",C2H6N2O2,,,,,,WFJRIDQGVSJLLH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.425,233-481-2,10193-98-3,"2-[[(mercaptoacetyl)oxy]methyl]-2-methyl-1,3-propanediyl bis(mercaptoacetate)",2-methyl-3-(2-sulfanylacetoxy)-2-[(2-sulfanylacetoxy)methyl]propyl sulfanylacetate (non-preferred name),CC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,CC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,"InChI=1/C11H18O6S3/c1-11(5-15-8(12)2-18,6-16-9(13)3-19)7-17-10(14)4-20/h18-20H,2-7H2,1H3",C11H18O6S3,,,,,,OMGUQSBVDSVSQB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.428,233-484-9,10196-04-0,Ammonium sulphite,diammonium sulfite,[NH4+].[NH4+].[O-]S(=O)[O-],[NH4+].[NH4+].[O-]S(=O)[O-],"InChI=1/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)",H3N.1/2H2O3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12645,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.428,PQUCIEFHOVEZAU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.434,233-491-7,10196-69-7,Strontium distearate,strontium dioctadecanoate,[Sr+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Sr,,,,,,FRKHZXHEZFADLA-UHFFFAOYSA-L,,,,,,,,,,,
100.030.444,233-503-0,10203-33-5,Dodecan-5-ol,dodecan-5-ol,CCCCCCCC(O)CCCC,CCCCCCCC(O)CCCC,"InChI=1/C12H26O/c1-3-5-7-8-9-11-12(13)10-6-4-2/h12-13H,3-11H2,1-2H3",C12H26O,,,,,,AVERNHDYEFYHIV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.449,233-508-8,10206-21-0,Cefacetrile,3-(acetoxymethyl)-7-[(cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C(=O)O,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C(=O)O,"InChI=1/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)",C13H13N3O6S,,,,,,RRYMAQUWDLIUPV-BXKDBHETSA-N,,,,,,,,,,,
100.030.450,233-509-3,10209-09-3,"Diphenylmethyl [2S-(2a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide","diphenylmethyl 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide",CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OC(c4ccccc4)c5ccccc5,CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OC(c4ccccc4)c5ccccc5,"InChI=1/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)",C29H28N2O6S,,,,,,LCRVLXSXMGVJHV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.455,233-515-6,10212-25-6,"2,2'-anhydro-1-beta-D-arabinofuranosylcytosine hydrochloride","2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol",OCC1OC2C(OC3=NC(=N)C=CN23)C1O,OCC1OC2C(OC3=NC(=N)C=CN23)C1O,"InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2",C9H11N3O4.ClH,,,,,,BBDAGFIXKZCXAH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.459,233-519-8,10213-75-9,3-[(2-ethylhexyl)oxy]propiononitrile,3-[(2-ethylhexyl)oxy]propanenitrile,CCCCC(CC)COCCC#N,CCCCC(CC)COCCC#N,"InChI=1/C11H21NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-7,9-10H2,1-2H3",C11H21NO,,,,,,HXBFULVLSKAGSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.467,233-528-7,10215-74-4,"21-hydroxypregn-4-ene-3,20-dione 21-(hydrogen succinate)","4-[(3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acid",CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC(=O)O,CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC(=O)O,"InChI=1/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)",C25H34O6,,,,,,CYWICJWKZPXJSA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.470,233-531-3,10220-23-2,4-(2-methoxyethyl)morpholine,4-(2-methoxyethyl)morpholine,COCCN1CCOCC1,COCCN1CCOCC1,"InChI=1/C7H15NO2/c1-9-5-2-8-3-6-10-7-4-8/h2-7H2,1H3",C7H15NO2,,,,,,JAEQOSKUYPMJAT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.313,228-944-0,6376-26-7,Salverine,2-[2-(diethylamino)ethoxy]-N-phenylbenzamide,CCN(CC)CCOc1ccccc1C(=O)Nc2ccccc2,CCN(CC)CCOc1ccccc1C(=O)Nc2ccccc2,"InChI=1/C19H24N2O2/c1-3-21(4-2)14-15-23-18-13-9-8-12-17(18)19(22)20-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,20,22)",C19H24N2O2,,,,,,BOFYHBVFGWJLIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.215,225-536-4,4909-78-8,"1,1-bis(2,2-dimethylpropoxy)-N,N,N-trimethylamine","1,1-bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine",CN(C)C(OCC(C)(C)C)OCC(C)(C)C,CN(C)C(OCC(C)(C)C)OCC(C)(C)C,"InChI=1/C13H29NO2/c1-12(2,3)9-15-11(14(7)8)16-10-13(4,5)6/h11H,9-10H2,1-8H3",C13H29NO2,,,,,,KEXFRBIOHPDZQM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.218,225-540-6,4913-31-9,Methyl bis(hydroxymethyl)carbamate,methyl bis(hydroxymethyl)carbamate,COC(=O)N(CO)CO,COC(=O)N(CO)CO,"InChI=1/C4H9NO4/c1-9-4(8)5(2-6)3-7/h6-7H,2-3H2,1H3",C4H9NO4,,,,,,SXVDZIOMWSPFCO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.232,225-555-8,4926-55-0,2-[(2-nitrophenyl)amino]ethanol,2-[(2-nitrophenyl)amino]ethanol,OCCNc1ccccc1[N+](=O)[O-],OCCNc1ccccc1[N+](=O)[O-],"InChI=1/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2",C8H10N2O3,,,,,,LFOUYKNCQNVIGI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.233,225-556-3,4927-10-0,"1,1'-(thiophene-2,5-diyl)bisethan-1-one","1,1'-thiene-2,5-diyldiethanone",CC(=O)c1ccc(s1)C(=O)C,CC(=O)c1ccc(s1)C(=O)C,"InChI=1/C8H8O2S/c1-5(9)7-3-4-8(11-7)6(2)10/h3-4H,1-2H3",C8H8O2S,,,,,,ATLWDAOOUUVIKP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.235,225-558-4,4927-31-5,2-methyl-2-phenylheptan-4-ol,2-methyl-2-phenylheptan-4-ol,CCCC(O)CC(C)(C)c1ccccc1,CCCC(O)CC(C)(C)c1ccccc1,"InChI=1/C14H22O/c1-4-8-13(15)11-14(2,3)12-9-6-5-7-10-12/h5-7,9-10,13,15H,4,8,11H2,1-3H3",C14H22O,,,,,,ARNFSIFLXMFHBV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.241,225-565-2,4928-50-1,"N2-(5-amino-2-pyridyl)pyridine-2,5-diamine","N~2~-(5-aminopyridin-2-yl)pyridine-2,5-diamine",Nc1ccc(Nc2ccc(N)cn2)nc1,Nc1ccc(Nc2ccc(N)cn2)nc1,"InChI=1/C10H11N5/c11-7-1-3-9(13-5-7)15-10-4-2-8(12)6-14-10/h1-6H,11-12H2,(H,13,14,15)",C10H11N5,,,,,,JVRBFCPMIHJUPC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.244,225-568-9,4931-68-4,Butyl 5-oxo-L-prolinate,butyl 5-oxo-L-prolinate,CCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C9H15NO3/c1-2-3-6-13-9(12)7-4-5-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)",C9H15NO3,,,,,,QBBAJUQOYIURHA-ZETCQYMHSA-N,,,,,,,,,,,
100.023.245,225-569-4,4931-70-8,Octyl 5-oxo-L-prolinate,octyl 5-oxo-L-prolinate,CCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)11-8-9-12(15)14-11/h11H,2-10H2,1H3,(H,14,15)",C13H23NO3,,,,,,SXDPDVGGPOQXTM-NSHDSACASA-N,,,,,,,,,,,
100.013.037,214-339-9,1121-86-4,3-fluoroiodobenzene,1-fluoro-3-iodobenzene,Fc1cccc(I)c1,Fc1cccc(I)c1,InChI=1/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H,C6H4FI,,,,,,VSKSBSORLCDRHS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.043,214-346-7,1122-41-4,"2,4-dichlorobenzenethiol","2,4-dichlorobenzenethiol",Sc1ccc(Cl)cc1Cl,Sc1ccc(Cl)cc1Cl,"InChI=1/C6H4Cl2S/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",C6H4Cl2S,,,,,,FGBVJFREPSJSNG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.045,214-348-8,1122-43-6,"2,6-dimethylpyridin-3-ol","2,6-dimethylpyridin-3-ol",Cc1ccc(O)c(C)n1,Cc1ccc(O)c(C)n1,"InChI=1/C7H9NO/c1-5-3-4-7(9)6(2)8-5/h3-4,9H,1-2H3",C7H9NO,,,,,,AMQJAKKATFMFTR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.046,214-349-3,1122-45-8,"2,4-dimethylpyridine 1-oxide","2,4-dimethylpyridine 1-oxide",Cc1cc[n+]([O-])c(C)c1,Cc1cc[n+]([O-])c(C)c1,"InChI=1/C7H9NO/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3",C7H9NO,,,,,,KMQVCYOPBMKRKH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.051,214-355-6,1122-62-9,Methyl 2-pyridyl ketone,1-pyridin-2-ylethanone,CC(=O)c1ccccn1,CC(=O)c1ccccn1,"InChI=1/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3",C7H7NO,,,,,,AJKVQEKCUACUMD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.054,214-358-2,1122-71-0,6-methyl-2-pyridylmethanol,(6-methylpyridin-2-yl)methanol,Cc1cccc(CO)n1,Cc1cccc(CO)n1,"InChI=1/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-4,9H,5H2,1H3",C7H9NO,,,,,,JLVBSBMJQUMAMW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.056,214-360-3,1122-81-2,4-propylpyridine,4-propylpyridine,CCCc1ccncc1,CCCc1ccncc1,"InChI=1/C8H11N/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3",C8H11N,,,,,,JAWZAONCXMJLFT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.060,214-365-0,1122-91-4,4-bromobenzaldehyde,4-bromobenzaldehyde,Brc1ccc(C=O)cc1,Brc1ccc(C=O)cc1,InChI=1/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H,C7H5BrO,,,,,,ZRYZBQLXDKPBDU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.067,214-372-9,1123-27-9,1-(1-hydroxycyclohexyl)ethan-1-one,1-(1-hydroxycyclohexyl)ethanone,CC(=O)C1(O)CCCCC1,CC(=O)C1(O)CCCCC1,"InChI=1/C8H14O2/c1-7(9)8(10)5-3-2-4-6-8/h10H,2-6H2,1H3",C8H14O2,,,,,,JKAKPUWJSRMKFH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.069,214-375-5,1123-54-2,"7-amino-1H-triazolo[4,5-d]pyrimidine","3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine",Nc1ncnc2[nH]nnc12,Nc1ncnc2[nH]nnc12,"InChI=1/C4H4N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H3,5,6,7,8,9,10)",C4H4N6,,,,,,HRYKDUPGBWLLHO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.073,214-379-7,1123-85-9,2-phenylpropan-1-ol,2-phenylpropan-1-ol,CC(CO)c1ccccc1,CC(CO)c1ccccc1,"InChI=1/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",C9H12O,,,,,,RNDNSYIPLPAXAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.260,228-886-6,6370-62-3,"Disodium 4,5-diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2,7-disulphonate","disodium 4,5-diamino-1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonate",[Na+].[Na+].Nc1cc(c(O)c2C(=O)c3c(O)c(cc(N)c3C(=O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(c(O)c2C(=O)c3c(O)c(cc(N)c3C(=O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H10N2O10S2.2Na/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)8-4(16)2-6(28(24,25)26)12(18)10(8)14(9)20;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C14H10N2O10S2.2Na,,,,,,YXGHKPYEROOFCR-UHFFFAOYSA-L,,,,,,,,,,,
100.027.448,230-192-3,6970-19-0,"3,4,5-triethoxybenzoic acid","3,4,5-triethoxybenzoic acid",CCOc1cc(cc(OCC)c1OCC)C(=O)O,CCOc1cc(cc(OCC)c1OCC)C(=O)O,"InChI=1/C13H18O5/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3,(H,14,15)",C13H18O5,,,,,,YCENSLDYFDZUMO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.451,230-196-5,6971-38-6,4-nitroso-o-cresol,2-methyl-4-nitrosophenol,Cc1cc(ccc1O)N=O,Cc1cc(ccc1O)N=O,"InChI=1/C7H7NO2/c1-5-4-6(8-10)2-3-7(5)9/h2-4,9H,1H3",C7H7NO2,,,,,,PMTVEXBJLIRTEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.454,230-199-1,6971-45-5,(2-methoxyphenyl)hydrazine monohydrochloride,(2-methoxyphenyl)hydrazine hydrochloride,Cl.COc1ccccc1NN,Cl.COc1ccccc1NN,"InChI=1/C7H10N2O.ClH/c1-10-7-5-3-2-4-6(7)9-8;/h2-5,9H,8H2,1H3;1H",C7H10N2O.ClH,,,,,,HECSHXUNOVTAIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.456,230-201-0,6971-57-9,Methyl(6-methyl-2-pyridylmethyl)amine,N-methyl-1-(6-methylpyridin-2-yl)methanamine,CNCc1cccc(C)n1,CNCc1cccc(C)n1,"InChI=1/C8H12N2/c1-7-4-3-5-8(10-7)6-9-2/h3-5,9H,6H2,1-2H3",C8H12N2,,,,,,NQMUUQGZZLWYGM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.464,230-209-4,6972-69-6,"N,N-dimethylnicotinamide","N,N-dimethylnicotinamide",CN(C)C(=O)c1cccnc1,CN(C)C(=O)c1cccnc1,"InChI=1/C8H10N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h3-6H,1-2H3",C8H10N2O,,,,,,FJEVKYZLIRAAKE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.466,230-212-0,6972-77-6,2-cyano-N-[(methylamino)carbonyl]acetamide,2-cyano-N-(methylcarbamoyl)acetamide,CNC(=O)NC(=O)CC#N,CNC(=O)NC(=O)CC#N,"InChI=1/C5H7N3O2/c1-7-5(10)8-4(9)2-3-6/h2H2,1H3,(H2,7,8,9,10)",C5H7N3O2,,,,,,JUFPKJMSAUDBBT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.490,230-238-2,6976-59-6,4-bromophenyl 4-bromooctanoate,4-bromophenyl 4-bromooctanoate,CCCCC(Br)CCC(=O)Oc1ccc(Br)cc1,CCCCC(Br)CCC(=O)Oc1ccc(Br)cc1,"InChI=1/C14H18Br2O2/c1-2-3-4-11(15)7-10-14(17)18-13-8-5-12(16)6-9-13/h5-6,8-9,11H,2-4,7,10H2,1H3",C14H19BrO2,,,,,,UFISTEPBTFEPSU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.494,230-242-4,6979-94-8,"Guanosine 2',3',5'-triacetate","2',3',5'-tri-O-acetylguanosine",CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n2cnc3C(=O)NC(=Nc23)N,CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n2cnc3C(=O)NC(=Nc23)N,"InChI=1/C16H19N5O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(21)19-16(17)20-14(10)25/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,25)",C16H19N5O8,,,,,,ULXDFYDZZFYGIY-SDBHATRESA-N,,,,,,,,,,,
100.024.245,226-670-6,5448-22-6,trans-2-tert-butylcyclohexan-1-ol,2-tert-butylcyclohexanol,CC(C)(C)[C@H]1CCCC[C@@H]1O,CC(C)(C)[C@H]1CCCC[C@@H]1O,"InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,DLTWBMHADAJAAZ-IUCAKERBSA-N,,,,,,,,,,,
100.024.249,226-674-8,5450-24-8,4-tert-butyl-2-cyclohexylphenol,4-tert-butyl-2-cyclohexylphenol,CC(C)(C)c1ccc(O)c(c1)C2CCCCC2,CC(C)(C)c1ccc(O)c(c1)C2CCCCC2,"InChI=1/C16H24O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h9-12,17H,4-8H2,1-3H3",C16H24O,,,,,,PDFWQXMLRLJXAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.877,228-464-1,6272-74-8,Lapirium chloride,1-(2-{[2-(dodecanoyloxy)ethyl]amino}-2-oxoethyl)pyridinium chloride,[Cl-].CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1,[Cl-].CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1,"InChI=1/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H",C21H35N2O3.Cl,,,,,,HPKFFZSXDWPVLX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.884,228-472-5,5/03/6276,Fluorene-1-carboxylic acid,9H-fluorene-1-carboxylic acid,OC(=O)c1cccc2c1Cc3ccccc23,OC(=O)c1cccc2c1Cc3ccccc23,"InChI=1/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16)",C14H10O2,,,,,,HTPXFGUCAUTOEL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.894,228-483-5,6280-88-2,4-chloro-2-nitrobenzoic acid,4-chloro-2-nitrobenzoic acid,OC(=O)c1ccc(Cl)cc1[N+](=O)[O-],OC(=O)c1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)",C7H4ClNO4,,,,,,JAHIPDTWWVYVRV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.897,228-486-1,5/04/6281,Oxydiethylene dilaurate,oxydiethylene dilaurate,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].C=COC=C,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].C=COC=C,"InChI=1/2C12H24O2.C4H6O/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-4-2/h2*2-11H2,1H3,(H,13,14);3-4H,1-2H2/p-2",C28H54O5,,,,,,WKJAKPPSIAEQJL-UHFFFAOYSA-L,,,,,,,,,,,
100.025.898,228-487-7,6281-14-7,"Hexahydro-1,3,5-tricyclohexyl-s-triazine","1,3,5-tricyclohexyl-1,3,5-triazinane",C1CCC(CC1)N2CN(CN(C2)C3CCCCC3)C4CCCCC4,C1CCC(CC1)N2CN(CN(C2)C3CCCCC3)C4CCCCC4,"InChI=1/C21H39N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h19-21H,1-18H2",C21H39N3,,,,,,ZLLRUEJANKJPQE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.537,230-290-6,7009-88-3,Phenyracillin,"3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - 2,5-diphenylpiperazine (2:1)",CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC4(C)S[C@@H]5[C@H](NC(=O)Cc6ccccc6)C(=O)N5[C@H]4C(=O)O.C7NC(CNC7c8ccccc8)c9ccccc9,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC4(C)S[C@@H]5[C@H](NC(=O)Cc6ccccc6)C(=O)N5[C@H]4C(=O)O.C7NC(CNC7c8ccccc8)c9ccccc9,"InChI=1/2C16H18N2O4S.C16H18N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2",C16H18N2O4S.1/2C16H18N2,,,,,,IAKOCPCZBRUQBM-ANPZCEIESA-N,,,,,,,,,,,
100.027.539,230-292-7,7011-98-5,3-benzylphthalide,3-benzyl-2-benzofuran-1(3H)-one,O=C1OC(Cc2ccccc2)c3ccccc13,O=C1OC(Cc2ccccc2)c3ccccc13,"InChI=1/C15H12O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2",C15H12O2,,,,,,VQXCRJICWWMTJH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.546,230-300-9,2/09/7021,(±)-(methoxy)phenylacetic acid,methoxy(phenyl)acetic acid,COC(C(=O)O)c1ccccc1,COC(C(=O)O)c1ccccc1,"InChI=1/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)",C9H10O3,,,,,,DIWVBIXQCNRCFE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.548,230-303-5,7023-61-2,Calcium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,calcium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ca+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,[Ca+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ca/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ca,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15275,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.548,KCAQGUXPIKJXTQ-UHFFFAOYSA-L,,,,,,,,,,,
100.027.551,230-306-1,7024-33-1,"N,N-dimethyl-2-[(4-methyl-1,3,2-dioxaborinan-2-yl)oxy]ethylamine","N,N-dimethyl-2-[(4-methyl-1,3,2-dioxaborinan-2-yl)oxy]ethanamine",CC1CCOB(OCCN(C)C)O1,CC1CCOB(OCCN(C)C)O1,"InChI=1/C8H18BNO3/c1-8-4-6-11-9(13-8)12-7-5-10(2)3/h8H,4-7H2,1-3H3",C8H18BNO3,,,,,,NYGGAFJPZFOXAN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.554,230-309-8,7028-48-0,Phenylacetaldehyde oxime,phenylacetaldehyde oxime,O\\N=C\\Cc1ccccc1,O\N=C\Cc1ccccc1,"InChI=1/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2",C8H9NO,,,,,,CXISHLWVCSLKOJ-VQHVLOKHSA-N,,,,,,,,,,,
100.027.560,230-316-6,7036-58-0,Propoxate,propyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate,CCCOC(=O)c1cncn1C(C)c2ccccc2,CCCOC(=O)c1cncn1C(C)c2ccccc2,"InChI=1/C15H18N2O2/c1-3-9-19-15(18)14-10-16-11-17(14)12(2)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3",C15H18N2O2,,,,,,LKGPZAQFNYKISK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.563,230-319-2,7038-25-7,"2,4,6,8-tetrakis(chloromethyl)-1,3,5,7-tetroxocane","2,4,6,8-tetrakis(chloromethyl)-1,3,5,7-tetroxocane",ClCC1OC(CCl)OC(CCl)OC(CCl)O1,ClCC1OC(CCl)OC(CCl)OC(CCl)O1,"InChI=1/C8H12Cl4O4/c9-1-5-13-6(2-10)15-8(4-12)16-7(3-11)14-5/h5-8H,1-4H2",C8H12Cl4O4,,,,,,FGSYJTSGMGQEGO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.565,230-321-3,2/02/7044,"Methyl 2-[3-cyano-4-oxo-4-(phenylmethoxy)but-2-enylidene]-2,3-dihydro-1,3,3-trimethyl-1H-indole-5-carboxylate","methyl 2-[4-(benzyloxy)-3-cyano-4-oxobut-2-en-1-ylidene]-1,3,3-trimethylindoline-5-carboxylate",COC(=O)c1cc3c(cc1)N(C)C(=CC=C(C#N)C(=O)OCc2ccccc2)C3(C)C,COC(=O)c1cc3c(cc1)N(C)C(=CC=C(C#N)C(=O)OCc2ccccc2)C3(C)C,"InChI=1/C25H24N2O4/c1-25(2)20-14-18(23(28)30-4)10-12-21(20)27(3)22(25)13-11-19(15-26)24(29)31-16-17-8-6-5-7-9-17/h5-14H,16H2,1-4H3",C25H24N2O4,,,,,,CMZXMMGJBKMTFM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.282,226-710-2,5455-98-1,"N-(2,3-epoxypropyl)phthalimide","2-(oxiran-2-ylmethyl)-1H-isoindole-1,3(2H)-dione",O=C1N(CC2CO2)C(=O)c3ccccc13,O=C1N(CC2CO2)C(=O)c3ccccc13,"InChI=1/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2",C11H9NO3,,,,,,DUILGEYLVHGSEE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.283,226-711-8,3/05/5456,"2,2'-[2,2-dimethylpropane-1,3-diylbis(oxy)]bis[5,5-dimethyl-1,3,2-dioxaborinane]","2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaborinane)",CC(C)(COB1OCC(C)(C)CO1)COB2OCC(C)(C)CO2,CC(C)(COB1OCC(C)(C)CO1)COB2OCC(C)(C)CO2,"InChI=1/C15H30B2O6/c1-13(2,7-18-16-20-9-14(3,4)10-21-16)8-19-17-22-11-15(5,6)12-23-17/h7-12H2,1-6H3",C15H30B2O6,,,,,,ZKEFAWFRBQUXIT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.288,226-717-0,5457-66-9,tert-butyl octanoate,tert-butyl octanoate,CCCCCCCC(=O)OC(C)(C)C,CCCCCCCC(=O)OC(C)(C)C,"InChI=1/C12H24O2/c1-5-6-7-8-9-10-11(13)14-12(2,3)4/h5-10H2,1-4H3",C12H24O2,,,,,,BRHAUGJKIFZHDU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.296,226-725-4,9/10/5459,"3,3'-thiobispropionamide","3,3'-sulfanediyldipropanamide",NC(=O)CCSCCC(=O)N,NC(=O)CCSCCC(=O)N,"InChI=1/C6H12N2O2S/c7-5(9)1-3-11-4-2-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)",C6H12N2O2S,,,,,,GNAYFTGREAJJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.301,226-731-7,5459-63-2,"Dimethyl 2,2'-dithiobisbenzoate","dimethyl 2,2'-disulfanediyldibenzoate",COC(=O)c1ccccc1SSc2ccccc2C(=O)OC,COC(=O)c1ccccc1SSc2ccccc2C(=O)OC,"InChI=1/C16H14O4S2/c1-19-15(17)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(18)20-2/h3-10H,1-2H3",C16H14O4S2,,,,,,NECMWXVJIUGCSW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.309,226-740-6,5460-45-7,2-ethylhexyl formate,2-ethylhexyl formate,CCCCC(CC)COC=O,CCCCC(CC)COC=O,"InChI=1/C9H18O2/c1-3-5-6-9(4-2)7-11-8-10/h8-9H,3-7H2,1-2H3",C9H18O2,,,,,,SIZYAYFVBQLSJP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.311,226-742-7,5460-79-7,4-(3-methoxyphenyl)-1-methylpiperidine-4-carbonitrile,4-(3-methoxyphenyl)-1-methylpiperidine-4-carbonitrile,COc1cccc(c1)C2(CCN(C)CC2)C#N,COc1cccc(c1)C2(CCN(C)CC2)C#N,"InChI=1/C14H18N2O/c1-16-8-6-14(11-15,7-9-16)12-4-3-5-13(10-12)17-2/h3-5,10H,6-9H2,1-2H3",C14H18N2O,,,,,,COYLNHITVXBZPK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.319,228-950-3,6378-25-2,"2,4,5-trichlorobenzenesulphonic acid","2,4,5-trichlorobenzenesulfonic acid",OS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,OS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H3Cl3O3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H,10,11,12)",C6H3Cl3O3S,,,,,,LEDKKDPOPIKMSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.322,228-954-5,6378-66-1,4-chloro-a-(chloromethyl)benzyl alcohol,2-chloro-1-(4-chlorophenyl)ethanol,OC(CCl)c1ccc(Cl)cc1,OC(CCl)c1ccc(Cl)cc1,"InChI=1/C8H8Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2",C8H8Cl2O,,,,,,FMVSIWSINRIEKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.324,228-956-6,9/03/6379,"1,2,4-trichloro-7-[(3-chlorophenyl)amino]-9-methyl-3H-phenothiazin-3-one","1,2,4-trichloro-7-[(3-chlorophenyl)amino]-9-methyl-3H-phenothiazin-3-one",Cc1cc(Nc2cccc(Cl)c2)cc3SC4=C(Cl)C(=O)C(=C(Cl)C4=Nc13)Cl,Cc1cc(Nc2cccc(Cl)c2)cc3SC4=C(Cl)C(=O)C(=C(Cl)C4=Nc13)Cl,"InChI=1/C19H10Cl4N2OS/c1-8-5-11(24-10-4-2-3-9(20)6-10)7-12-16(8)25-17-13(21)14(22)18(26)15(23)19(17)27-12/h2-7,24H,1H3",C19H10Cl4N2OS,,,,,,KNLLLQJFRZYLSV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.325,228-957-1,6379-19-7,2-[[4-[(4-hydroxyphenyl)amino]phenyl]amino]benzoic acid,2-({4-[(4-hydroxyphenyl)amino]phenyl}amino)benzoic acid,OC(=O)c1ccccc1Nc2ccc(Nc3ccc(O)cc3)cc2,OC(=O)c1ccccc1Nc2ccc(Nc3ccc(O)cc3)cc2,"InChI=1/C19H16N2O3/c22-16-11-9-14(10-12-16)20-13-5-7-15(8-6-13)21-18-4-2-1-3-17(18)19(23)24/h1-12,20-22H,(H,23,24)",C19H16N2O3,,,,,,GPQHBELCRDGQQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.330,228-962-9,6380-23-0,4-vinylveratrole,"1,2-dimethoxy-4-vinylbenzene",COc1ccc(C=C)cc1OC,COc1ccc(C=C)cc1OC,"InChI=1/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3",C10H12O2,,,,,,NJXYTXADXSRFTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.333,228-966-0,6380-63-8,"Phthalic acid, diester with lactonitrile",bis(1-cyanoethyl) phthalate,CC(OC(=O)c1ccccc1C(=O)OC(C)C#N)C#N,CC(OC(=O)c1ccccc1C(=O)OC(C)C#N)C#N,"InChI=1/C14H12N2O4/c1-9(7-15)19-13(17)11-5-3-4-6-12(11)14(18)20-10(2)8-16/h3-6,9-10H,1-2H3",C14H12N2O4,,,,,,BTIOZBFFOWDNPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.340,228-973-9,6381-77-7,"2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone","sodium 2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethanolate (non-preferred name)",[Na+].O[C@H](C[O-])[C@H]1OC(=O)C(=C1O)O,[Na+].O[C@H](C[O-])[C@H]1OC(=O)C(=C1O)O,"InChI=1/C6H7O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,8-10H,1H2;/q-1;+1",C6H8O6.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11622,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.340,RBWSWDPRDBEWCR-RKJRWTFHSA-N,,,,,,,,,,,
100.026.341,228-974-4,5/06/6382,Pentyl lactate,pentyl 2-hydroxypropanoate,CCCCCOC(=O)C(C)O,CCCCCOC(=O)C(C)O,"InChI=1/C8H16O3/c1-3-4-5-6-11-8(10)7(2)9/h7,9H,3-6H2,1-2H3",C8H16O3,,,,,,GXOHBWLPQHTYPF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.343,228-977-0,3/12/6382,Tetrapentyl orthosilicate,tetrapentyl orthosilicate,CCCCCO[Si](OCCCCC)(OCCCCC)OCCCCC,CCCCCO[Si](OCCCCC)(OCCCCC)OCCCCC,"InChI=1/C20H44O4Si/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-20H2,1-4H3",C20H44O4Si,,,,,,KCTGOQZIKPDZNK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.344,228-978-6,6382-13-4,Pentyl stearate,pentyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCC,"InChI=1/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h3-22H2,1-2H3",C23H46O2,,,,,,MOQRZWSWPNIGMP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.348,228-982-8,6384-18-5,Dimethyl L-aspartate,dimethyl L-aspartate,COC(=O)C[C@H](N)C(=O)OC,COC(=O)C[C@H](N)C(=O)OC,"InChI=1/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3",C6H11NO4,,,,,,BYHXBBOSJKPUJL-BYPYZUCNSA-N,,,,,,,,,,,
100.026.353,228-988-0,6386-73-8,"2,6-dibromo-4-[1-(3-bromo-4-hydroxyphenyl)-1-methylethyl]phenol","2,6-dibromo-4-[1-(3-bromo-4-hydroxyphenyl)-1-methylethyl]phenol",CC(C)(c1ccc(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,CC(C)(c1ccc(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,"InChI=1/C15H13Br3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3",C15H13Br3O2,,,,,,WYBOEVJIVYIEJL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.968,228-564-5,6295-44-9,3-hydroxyanthracene-2-carboxylic acid,3-hydroxyanthracene-2-carboxylic acid,OC(=O)c1cc2cc3ccccc3cc2cc1O,OC(=O)c1cc2cc3ccccc3cc2cc1O,"InChI=1/C15H10O3/c16-14-8-12-6-10-4-2-1-3-9(10)5-11(12)7-13(14)15(17)18/h1-8,16H,(H,17,18)",C15H10O3,,,,,,PHQKCVOZVPSTAF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.970,228-566-6,6295-87-0,1-aminopyridinium iodide,1-aminopyridinium iodide,[I-].N[n+]1ccccc1,[I-].N[n+]1ccccc1,"InChI=1/C5H7N2.HI/c6-7-4-2-1-3-5-7;/h1-5H,6H2;1H/q+1;/p-1",C5H7N2.I,,,,,,NDRLPYIMWROJBG-UHFFFAOYSA-M,,,,,,,,,,,
100.025.973,228-569-2,6297-41-2,Butyl 2-methylvalerate,butyl 2-methylpentanoate,CCCCOC(=O)C(C)CCC,CCCCOC(=O)C(C)CCC,"InChI=1/C10H20O2/c1-4-6-8-12-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3",C10H20O2,,,,,,FMVUGLMJUHFPSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.978,228-575-5,6298-72-2,"2,5-bis(chloromethyl)-p-xylene","1,4-bis(chloromethyl)-2,5-dimethylbenzene",Cc1cc(CCl)c(C)cc1CCl,Cc1cc(CCl)c(C)cc1CCl,"InChI=1/C10H12Cl2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3",C10H12Cl2,,,,,,UYRPOMMBPQHVMN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.075,214-381-8,1123-93-9,Benzothiazol-5-amine,"1,3-benzothiazol-5-amine",Nc1ccc2scnc2c1,Nc1ccc2scnc2c1,"InChI=1/C7H6N2S/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H,8H2",C7H6N2S,,,,,,UJZYHMZRXGNDFB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.078,214-384-4,1123-98-4,2-fluorobenzothiazole,"2-fluoro-1,3-benzothiazole",Fc1nc2ccccc2s1,Fc1nc2ccccc2s1,InChI=1/C7H4FNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,C7H4FNS,,,,,,QVWCHVAUHZEAAT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.083,214-390-7,1124-09-0,"Toluene-2,4,5-triol","5-methylbenzene-1,2,4-triol",Cc1cc(O)c(O)cc1O,Cc1cc(O)c(O)cc1O,"InChI=1/C7H8O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,8-10H,1H3",C7H8O3,,,,,,QKGQHTCUNGPCIA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.086,214-393-3,1124-19-2,Trichlorophenylstannane,trichloro(phenyl)stannane,Cl[Sn](Cl)(Cl)c1ccccc1,Cl[Sn](Cl)(Cl)c1ccccc1,"InChI=1/C6H5.3ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3/rC6H5Cl3Sn/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",C6H5Cl3Sn,,,,,,UBOGEXSQACVGEC-UHFFFAOYSA-K,,,,,,,,,,,
100.028.916,231-807-8,7745-91-7,3-bromo-p-toluidine,3-bromo-4-methylaniline,Cc1ccc(N)cc1Br,Cc1ccc(N)cc1Br,"InChI=1/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3",C7H8BrN,,,,,,GRXMMIBZRMKADT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.917,231-808-3,7745-92-8,2-iodo-4-nitrotoluene,2-iodo-1-methyl-4-nitrobenzene,Cc1ccc(cc1I)[N+](=O)[O-],Cc1ccc(cc1I)[N+](=O)[O-],"InChI=1/C7H6INO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3",C7H6INO2,,,,,,BUQSRXQJUZTIEW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.919,231-810-4,7747-35-5,"7a-ethyldihydro-1H,3H,5H-oxazolo[3,4-c]oxazole","7a-ethyldihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole",CCC12COCN1COC2,CCC12COCN1COC2,"InChI=1/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3",C7H13NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12226,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.919,ZRCMGIXRGFOXNT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.920,231-812-5,7753-60-8,"17-a,21-dihydroxypregna-4,9(11)-diene-3,20-dione 21-acetate","17-hydroxy-3,20-dioxopregna-4,9(11)-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,"InChI=1/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3",C23H30O5,,,,,,YUWPMEXLKGOSBF-GACAOOTBSA-N,,,,,,,,,,,
100.028.922,231-814-6,7756-49-2,"Mercury(2+) (9Z,12Z)-octadeca-9,12-dienoate","mercury dioctadeca-9,12-dienoate",[Hg+2].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Hg+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Hg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.1/2Hg,,,,,,ZIBXQMPQKFKWDT-GRVYQHKQSA-L,,,,,,,,,,,
100.028.923,231-815-1,7756-87-8,"1,3-dichloro-1,1,3,3-tetraphenyldisiloxane","1,3-dichloro-1,1,3,3-tetraphenyldisiloxane",Cl[Si](O[Si](Cl)(c1ccccc1)c2ccccc2)(c3ccccc3)c4ccccc4,Cl[Si](O[Si](Cl)(c1ccccc1)c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20Cl2OSi2/c25-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-29(26,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C24H20Cl2OSi2,,,,,,YQULWRCMYAXEAV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.929,231-821-4,7757-83-7,Sodium sulphite,disodium sulfite,[Na+].[Na+].[O-]S(=O)[O-],[Na+].[Na+].[O-]S(=O)[O-],"InChI=1/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",H2O3S.2Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15131,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.929,GEHJYWRUCIMESM-UHFFFAOYSA-L,,,,,,,,,,,
100.028.935,231-828-2,7757-96-2,"Dihydro-3-(1-octenyl)furan-2,5-dione","3-oct-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCC,O=C1OC(=O)CC1C=CCCCCCC,"InChI=1/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h7-8,10H,2-6,9H2,1H3",C12H18O3,,,,,,FLISWPFVWWWNNP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.942,231-836-6,7758-19-2,Sodium chlorite,sodium chlorite,[Na+].[O-]Cl=O,[Na+].[O-]Cl=O,"InChI=1/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",ClHO2.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2233,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.942,UKLNMMHNWFDKNT-UHFFFAOYSA-M,,,,,,,,,,,
100.028.944,231-838-7,7758-29-4,Pentasodium triphosphate,pentasodium triphosphate,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/5Na.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q5*+1;;;/p-9",H5O10P3.5Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15386,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.944,TZUNELCXYYXAEL-UHFFFAOYSA-E,,,,,,,,,,,
100.028.958,231-853-9,7761-88-8,Silver nitrate,silver(1+) nitrate,[Ag+].[O-][N+](=O)[O-],[Ag+].[O-][N+](=O)[O-],InChI=1/Ag.NO3/c;2-1(3)4/q+1;-1,Ag.HNO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14995,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.958,SQGYOTSLMSWVJD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.894,215-282-2,1317-80-2,Rutile (TiO2),dioxotitanium,O=[Ti]=O,O=[Ti]=O,InChI=1/2O.Ti/rO2Ti/c1-3-2,O2Ti,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11000,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.894,GWEVSGVZZGPLCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.901,215-290-6,1319-46-6,Trilead bis(carbonate) dihydroxide,-,[OH-].[OH-].[Pb+2].[Pb+2].[Pb+2].[O-]C(=O)[O-].[O-]C(=O)[O-],[OH-].[OH-].[Pb+2].[Pb+2].[Pb+2].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/2CH2O3.2H2O.3Pb.6H/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);2*1H2;;;;;;;;;/q;;;;3*+4;;;;;;/p-6/r2CH2O3.2H2O.3H2Pb/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);5*1H2/q;;;;3*+4/p-6",C2H2O8Pb3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12705,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.901,RYZCLUQMCYZBJQ-UHFFFAOYSA-H,,,,,,,,,,,
100.025.903,228-492-4,6281-53-4,2-cyclohexyl-4-nitrophenol,2-cyclohexyl-4-nitrophenol,Oc1ccc(cc1C2CCCCC2)[N+](=O)[O-],Oc1ccc(cc1C2CCCCC2)[N+](=O)[O-],"InChI=1/C12H15NO3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h6-9,14H,1-5H2",C12H15NO3,,,,,,JXGVRKOUPGWANZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.911,228-501-1,6283-67-6,Nickel(II) fumarate,but-2-enedioic acid,OC(=O)C=CC(=O)O,OC(=O)C=CC(=O)O,"InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)",C4H4O4.Ni,,,,,,VZCYOOQTPOCHFL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.382,233-434-6,10163-62-9,"O,O-dibutyl hydrogen thiophosphate","O,O-dibutyl hydrogen thiophosphate",CCCCOP(=O)(S)OCCCC,CCCCOP(=O)(S)OCCCC,"InChI=1/C8H19O3PS/c1-3-5-7-10-12(9,13)11-8-6-4-2/h3-8H2,1-2H3,(H,9,13)",C8H19O3PS,,,,,,CCLBBCBPHBBKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.390,233-443-5,10169-55-8,1-[4-(phenylthio)phenyl]ethan-1-one,1-[4-(phenylsulfanyl)phenyl]ethanone,CC(=O)c1ccc(Sc2ccccc2)cc1,CC(=O)c1ccc(Sc2ccccc2)cc1,"InChI=1/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3",C14H12OS,,,,,,XUDYHODVSUXRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.397,233-450-3,10176-39-3,Gitoformate,"3-{[2,6-dideoxy-3,4-di-O-formyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](OC=O)[C@@H]1OC=O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC=O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3OC=O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@H](C[C@]67O)OC=O)C8=CC(=O)OC8)C4,C[C@H]1O[C@H](C[C@H](OC=O)[C@@H]1OC=O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC=O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3OC=O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@H](C[C@]67O)OC=O)C8=CC(=O)OC8)C4,"InChI=1/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3",C46H64O19,,,,,,DOMHWKQEPDYUQX-LJAQBGIBSA-N,,,,,,,,,,,
100.030.401,233-455-0,10183-49-0,"6,7-dichloroanthracene-1,4,9,10-tetrol","6,7-dichloroanthracene-1,4,9,10-tetrol",Oc1ccc(O)c2c(O)c3cc(Cl)c(Cl)cc3c(O)c12,Oc1ccc(O)c2c(O)c3cc(Cl)c(Cl)cc3c(O)c12,"InChI=1/C14H8Cl2O4/c15-7-3-5-6(4-8(7)16)14(20)12-10(18)2-1-9(17)11(12)13(5)19/h1-4,17-20H",C14H8Cl2O4,,,,,,JKHMZJNNKYIWNR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.403,233-457-1,10187-52-7,"Sodium hydrogen 2,2'-methylenebis[4-chlorophenolate]","hydrogen sodium 2,2'-methylenebis(4-chlorophenolate)",[Na+].[O-]c1ccc(Cl)cc1Cc2cc(Cl)ccc2[O-],[Na+].[O-]c1ccc(Cl)cc1Cc2cc(Cl)ccc2[O-],"InChI=1/C13H10Cl2O2.Na/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;/h1-4,6-7,16-17H,5H2;/q;+1/p-2",C13H10Cl2O2.Na,,,,,,DDJNZEZALAEEON-UHFFFAOYSA-L,,,,,,,,,,,
100.030.413,233-468-1,10192-29-7,Ammonium chlorate,ammonium chlorate,[NH4+].[O-]Cl(=O)=O,[NH4+].[O-]Cl(=O)=O,"InChI=1/ClHO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3",ClHO3.H3N,,,,,,KHPLPBHMTCTCHA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.420,233-476-5,10193-26-7,"7-allylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride","3,3'-(oxydicarbonyl)bis(7-allylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid)",OC(=O)C1C2C=CC(C2CC=C)C1C(=O)OC(=O)C3C4C=CC(C4CC=C)C3C(=O)O,OC(=O)C1C2C=CC(C2CC=C)C1C(=O)OC(=O)C3C4C=CC(C4CC=C)C3C(=O)O,"InChI=1/C24H26O7/c1-3-5-11-13-7-9-15(11)19(17(13)21(25)26)23(29)31-24(30)20-16-10-8-14(12(16)6-4-2)18(20)22(27)28/h3-4,7-20H,1-2,5-6H2,(H,25,26)(H,27,28)",C12H12O3,,,,,,XSDXXXOVLFFEBY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.271,228-898-1,6371-67-1,Strontium 2-[(2-hydroxy-1-naphthyl)azo]naphthalenesulphonate(1:2),strontium bis{2-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate},[SrH2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,[SrH2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C20H14N2O4S.Sr.2H/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;;;/h2*1-12,23H,(H,24,25,26);;;/q;;+2;;/p-2/r2C20H14N2O4S.H2Sr/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h2*1-12,23H,(H,24,25,26);1H2/q;;+2/p-2",C20H14N2O4S.1/2Sr,,,,,,IXBODSOQRVLQBP-UHFFFAOYSA-L,,,,,,,,,,,
100.026.272,228-899-7,6371-76-2,Calcium bis[3-hydroxy-4-(phenylazo)-2-naphthoate],calcium bis[3-hydroxy-4-(phenyldiazenyl)-2-naphthoate],[Ca+2].[O-]C(=O)c3cc1ccccc1c(N=Nc2ccccc2)c3O.[O-]C(=O)c3cc1ccccc1c(N=Nc2ccccc2)c3O,[Ca+2].[O-]C(=O)c3cc1ccccc1c(N=Nc2ccccc2)c3O.[O-]C(=O)c3cc1ccccc1c(N=Nc2ccccc2)c3O,"InChI=1/2C17H12N2O3.Ca/c2*20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12;/h2*1-10,20H,(H,21,22);/q;;+2/p-2",C17H12N2O3.1/2Ca,,,,,,CYHOWEBNQPOWEI-UHFFFAOYSA-L,,,,,,,,,,,
100.026.274,228-901-6,6371-96-6,2-[(4-methoxy-2-nitrophenyl)azo]-3-oxo-N-(o-tolyl)butyramide,2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxobutanamide,COc2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1C)c(c2)[N+]([O-])=O,COc2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1C)c(c2)[N+]([O-])=O,"InChI=1/C18H18N4O5/c1-11-6-4-5-7-14(11)19-18(24)17(12(2)23)21-20-15-9-8-13(27-3)10-16(15)22(25)26/h4-10,17H,1-3H3,(H,19,24)",C18H18N4O5,,,,,,FNFZZQUKYRHMTI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.315,226-746-9,5461-32-5,2-nitrophenylpyruvic acid,3-(2-nitrophenyl)-2-oxopropanoic acid,OC(=O)C(=O)Cc1ccccc1[N+](=O)[O-],OC(=O)C(=O)Cc1ccccc1[N+](=O)[O-],"InChI=1/C9H7NO5/c11-8(9(12)13)5-6-3-1-2-4-7(6)10(14)15/h1-4H,5H2,(H,12,13)",C9H7NO5,,,,,,CGCWRLDEYHZQCW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.319,226-751-6,5462-33-9,Ethyl 2-(phenylazo)acetoacetate,ethyl 3-oxo-2-(phenyldiazenyl)butanoate,CC(=O)C(N=Nc1ccccc1)C(=O)OCC,CC(=O)C(N=Nc1ccccc1)C(=O)OCC,"InChI=1/C12H14N2O3/c1-3-17-12(16)11(9(2)15)14-13-10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3",C12H14N2O3,,,,,,YBKOBYPTHJKDFK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.321,226-753-7,5462-71-5,4-cyanophenylacetic acid,(4-cyanophenyl)acetic acid,OC(=O)Cc1ccc(cc1)C#N,OC(=O)Cc1ccc(cc1)C#N,"InChI=1/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)",C9H7NO2,,,,,,WEBXRQONNWEETE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.324,226-756-3,9/11/5464,2-methylthio-2-imidazoline hydroiodide,"2-(methylsulfanyl)-4,5-dihydro-1H-imidazole",CSC1=NCCN1,CSC1=NCCN1,"InChI=1/C4H8N2S/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)",C4H8N2S.HI,,,,,,MTIMDGQILFWMJI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.911,230-702-4,7282-81-7,a-D-talopyranose,alpha-D-talopyranose,OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,"InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",C6H12O6,,,,,,WQZGKKKJIJFFOK-URLGYRAOSA-N,,,,,,,,,,,
100.027.916,230-708-7,7283-96-7,5-chlorothiophene-2-carbaldehyde,5-chlorothiophene-2-carbaldehyde,Clc1ccc(C=O)s1,Clc1ccc(C=O)s1,InChI=1/C5H3ClOS/c6-5-2-1-4(3-7)8-5/h1-3H,C5H3ClOS,,,,,,VWYFITBWBRVBSW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.920,230-712-9,7287-36-7,Monalide,"N-(4-chlorophenyl)-2,2-dimethylpentanamide",CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1,CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1,"InChI=1/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)",C13H18ClNO,,,,,,KXGYBSNVFXBPNO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.929,230-722-3,7292-18-4,"4,5-dihydro-2-(2-methoxyphenyl)-1-[2-(2-methoxyphenyl)-4,5-diphenyl-2H-imidazol-2-yl]-1H-imidazole","2,2'-bis(2-methoxyphenyl)-4',5'-diphenyl-4,5-dihydro-2'H-1,2'-biimidazole",COc1ccccc1C2=NCCN2C3(N=C(C(=N3)c4ccccc4)c5ccccc5)c6ccccc6OC,COc1ccccc1C2=NCCN2C3(N=C(C(=N3)c4ccccc4)c5ccccc5)c6ccccc6OC,"InChI=1/C32H28N4O2/c1-37-27-19-11-9-17-25(27)31-33-21-22-36(31)32(26-18-10-12-20-28(26)38-2)34-29(23-13-5-3-6-14-23)30(35-32)24-15-7-4-8-16-24/h3-20H,21-22H2,1-2H3",C44H34N4O2,,,,,,XBYKNIRLPQHDKV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.935,230-729-1,7295-44-5,4'-bromovalerophenone,1-(4-bromophenyl)pentan-1-one,CCCCC(=O)c1ccc(Br)cc1,CCCCC(=O)c1ccc(Br)cc1,"InChI=1/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3",C11H13BrO,,,,,,STYJKBMRWQQJIS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.947,230-742-2,7299-91-4,Butyl 2-butenoate,butyl but-2-enoate,CCCCOC(=O)C=CC,CCCCOC(=O)C=CC,"InChI=1/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3",C8H14O2,,,,,,GWCTUKHUBWMAMI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.950,230-745-9,7300-34-7,"3,3'-[butane-1,4-diylbis(oxy)]bispropanamine","3,3'-[butane-1,4-diylbis(oxy)]dipropan-1-amine",NCCCOCCCCOCCCN,NCCCOCCCCOCCCN,InChI=1/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2,C10H24N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11387,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.950,YOOSAIJKYCBPFW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.952,230-748-5,7300-59-6,N-(4-nitrophenyl)-L-glutamine,N~2~-(4-nitrophenyl)glutamine,OC(=O)[C@H](CCC(N)=O)Nc1ccc(cc1)[N+]([O-])=O,OC(=O)[C@H](CCC(N)=O)Nc1ccc(cc1)[N+]([O-])=O,"InChI=1/C11H13N3O5/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9,13H,5-6H2,(H2,12,15)(H,16,17)",C11H13N3O5,,,,,,IMTMBDXEKMXETQ-VIFPVBQESA-N,,,,,,,,,,,
100.027.954,230-750-6,7300-91-6,"1-(4-hydroxyphenyl)-1H-pyrrole-2,5-dione","1-(4-hydroxyphenyl)-1H-pyrrole-2,5-dione",Oc1ccc(cc1)N2C(=O)C=CC2=O,Oc1ccc(cc1)N2C(=O)C=CC2=O,"InChI=1/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H",C10H7NO3,,,,,,BLLFPKZTBLMEFG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.956,230-752-7,7304-48-5,Fluorotriisobutylstannane,fluoro(triisobutyl)stannane,CC(C)C[Sn](F)(CC(C)C)CC(C)C,CC(C)C[Sn](F)(CC(C)C)CC(C)C,"InChI=1/3C4H9.FH.Sn/c3*1-4(2)3;;/h3*4H,1H2,2-3H3;1H;/q;;;;+1/p-1/rC12H27FSn/c1-10(2)7-14(13,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27FSn,,,,,,OUURAJKTQFMUFK-UHFFFAOYSA-M,,,,,,,,,,,
100.023.902,226-292-1,5344-88-7,Hydrazonodeoxybenzoin,"2-hydrazono-1,2-diphenylethanone",NN=C(C(=O)c1ccccc1)c2ccccc2,NN=C(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H12N2O/c15-16-13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10H,15H2",C14H12N2O,,,,,,CDQPGWNBSOSEMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.913,226-305-0,5348-42-5,"4,5-dichloro-o-phenylenediamine","4,5-dichlorobenzene-1,2-diamine",Nc1cc(Cl)c(Cl)cc1N,Nc1cc(Cl)c(Cl)cc1N,"InChI=1/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2",C6H6Cl2N2,,,,,,IWFHBRFJOHTIPU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.917,226-309-2,5348-97-0,"N,N-diethyl-4-methylpiperazine-1-carboxamide monohydrochloride","N,N-diethyl-4-methylpiperazine-1-carboxamide hydrochloride",Cl.CCN(CC)C(=O)N1CCN(C)CC1,Cl.CCN(CC)C(=O)N1CCN(C)CC1,"InChI=1/C10H21N3O.ClH/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;/h4-9H2,1-3H3;1H",C10H21N3O.ClH,,,,,,WCJHPDVYERQRGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.979,228-576-0,1/02/6299,4-chloro-a-methylbenzylamine,1-(4-chlorophenyl)ethanamine,CC(N)c1ccc(Cl)cc1,CC(N)c1ccc(Cl)cc1,"InChI=1/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3",C8H10ClN,,,,,,PINPOEWMCLFRRB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.980,228-577-6,6299-25-8,"4,6-dichloropyrimidine methyl sulphide","sulfanediyldimethane - 4,6-dichloropyrimidine (1:1)",CSC.Clc1cc(Cl)ncn1,CSC.Clc1cc(Cl)ncn1,InChI=1/C4H2Cl2N2.C2H6S/c5-3-1-4(6)8-2-7-3;1-3-2/h1-2H;1-2H3,C5H4Cl2N2S,,,,,,QHRYIUBTNMOCSN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.982,228-579-7,6299-39-4,4-nitro-1H-benzotriazole,4-nitro-1H-benzotriazole,[O-][N+](=O)c1cccc2[nH]nnc12,[O-][N+](=O)c1cccc2[nH]nnc12,"InChI=1/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)",C6H4N4O2,,,,,,UTMDJGPRCLQPBT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.985,228-582-3,6300-22-7,Sodium m-[(4-amino-1-naphthyl)azo]benzenesulphonate,sodium 3-[(4-amino-1-naphthyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c3cccc(N=Nc1ccc(N)c2ccccc12)c3,[Na+].[O-]S(=O)(=O)c3cccc(N=Nc1ccc(N)c2ccccc12)c3,"InChI=1/C16H13N3O3S.Na/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22;/h1-10H,17H2,(H,20,21,22);/q;+1/p-1",C16H13N3O3S.Na,,,,,,UEOZWESPXLZJPG-UHFFFAOYSA-M,,,,,,,,,,,
100.025.990,228-588-6,6300-42-1,p-[[2-methyl-4-[(o-tolyl)azo]phenyl]azo]phenol,4-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)phenol,Oc3ccc(N=Nc2ccc(N=Nc1ccccc1C)cc2C)cc3,Oc3ccc(N=Nc2ccc(N=Nc1ccccc1C)cc2C)cc3,"InChI=1/C20H18N4O/c1-14-5-3-4-6-19(14)23-22-17-9-12-20(15(2)13-17)24-21-16-7-10-18(25)11-8-16/h3-13,25H,1-2H3",C20H18N4O,,,,,,NJMJSHLPJWODPM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.994,228-592-8,6300-97-6,"5,5-diethyldihydro-6-thioxouracil","5,5-diethyl-6-thioxodihydropyrimidine-2,4(1H,3H)-dione",CCC1(CC)C(=O)NC(=O)NC1=S,CCC1(CC)C(=O)NC(=O)NC1=S,"InChI=1/C8H12N2O2S/c1-3-8(4-2)5(11)9-7(12)10-6(8)13/h3-4H2,1-2H3,(H2,9,10,11,12,13)",C8H12N2O2S,,,,,,KUMCLYGZVRXJMG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.997,228-595-4,6301-66-2,"2-benzyl-5-methyl-5-propyl-1,3-dioxane","2-benzyl-5-methyl-5-propyl-1,3-dioxane",CCCC1(C)COC(Cc2ccccc2)OC1,CCCC1(C)COC(Cc2ccccc2)OC1,"InChI=1/C15H22O2/c1-3-9-15(2)11-16-14(17-12-15)10-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3",C15H22O2,,,,,,OYLVIOZNQQRAIF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.627,230-389-4,7085-55-4,Troxerutin,"2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3",C33H42O19,,,,,,IYVFNTXFRYQLRP-VVSTWUKXSA-N,,,,,,,,,,,
100.027.628,230-391-5,7085-85-0,Ethyl 2-cyanoacrylate,ethyl 2-cyanoacrylate,CCOC(=O)C(=C)C#N,CCOC(=O)C(=C)C#N,"InChI=1/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3",C6H7NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14976,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.628,FGBJXOREULPLGL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.630,230-393-6,7089-63-6,2-(methylamino)naphthalenesulphonic acid,2-(methylamino)naphthalene-1-sulfonic acid,CNc1ccc2ccccc2c1S(=O)(=O)O,CNc1ccc2ccccc2c1S(=O)(=O)O,"InChI=1/C11H11NO3S/c1-12-10-7-6-8-4-2-3-5-9(8)11(10)16(13,14)15/h2-7,12H,1H3,(H,13,14,15)",C11H11NO3S,,,,,,JIACETSUYANHGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.633,230-396-2,7091-75-0,"2,2'-(1,4-phenylene)bis[5-(4-methylphenyl)oxazole]","2,2'-(1,4-phenylene)bis[5-(4-methylphenyl)-1,3-oxazole]",Cc1ccc(cc1)c2oc(nc2)c3ccc(cc3)c4oc(cn4)c5ccc(C)cc5,Cc1ccc(cc1)c2oc(nc2)c3ccc(cc3)c4oc(cn4)c5ccc(C)cc5,"InChI=1/C26H20N2O2/c1-17-3-7-19(8-4-17)23-15-27-25(29-23)21-11-13-22(14-12-21)26-28-16-24(30-26)20-9-5-18(2)6-10-20/h3-16H,1-2H3",C26H20N2O2,,,,,,VUDFDHUOFUAARZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.636,230-399-9,7093-70-1,N-glycyl-L-threonine,glycyl-L-threonine,CC(O)[C@H](NC(=O)CN)C(=O)O,CC(O)[C@H](NC(=O)CN)C(=O)O,"InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)",C6H12N2O4,,,,,,OLIFSFOFKGKIRH-PVPKANODSA-N,,,,,,,,,,,
100.027.637,230-400-2,7094-26-0,"1,1,2-trimethylcyclohexane","1,1,2-trimethylcyclohexane",CC1CCCCC1(C)C,CC1CCCCC1(C)C,"InChI=1/C9H18/c1-8-6-4-5-7-9(8,2)3/h8H,4-7H2,1-3H3",C9H18,,,,,,MEBONNVPKOBPEA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.471,233-532-9,10220-34-5,N-isopropylbenzothiazol-2-sulphenamide,"N-(1,3-benzothiazol-2-ylsulfanyl)propan-2-amine",CC(C)NSc1nc2ccccc2s1,CC(C)NSc1nc2ccccc2s1,"InChI=1/C10H12N2S2/c1-7(2)12-14-10-11-8-5-3-4-6-9(8)13-10/h3-7,12H,1-2H3",C10H12N2S2,,,,,,VIHMZNMSEVOOPY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.480,233-542-3,10225-81-7,"5-hydroxy-3-methyl-5-(1,2,3,4-tetrahydroxybutyl)thiazolidine-2-thione","5-hydroxy-3-methyl-5-(1,2,3,4-tetrahydroxybutyl)-1,3-thiazolidine-2-thione",CN1CC(O)(SC1=S)C(O)C(O)C(O)CO,CN1CC(O)(SC1=S)C(O)C(O)C(O)CO,"InChI=1/C8H15NO5S2/c1-9-3-8(14,16-7(9)15)6(13)5(12)4(11)2-10/h4-6,10-14H,2-3H2,1H3",C8H15NO5S2,,,,,,PJYWOSZGVKJXLI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.902,215-291-1,1319-69-3,Potassium glycerophosphate,"dipotassium 2,3-dihydroxypropyl phosphate",[K+].[K+].OCC(O)COP(=O)([O-])[O-],[K+].[K+].OCC(O)COP(=O)([O-])[O-],"InChI=1/C3H9O6P.2K/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",C3H9O6P.2K,,,,,,CHFUHGDBYUITQJ-UHFFFAOYSA-L,,,,,,,,,,,
100.023.380,225-717-8,5027-16-7,Ethyl (hydroxymethyl)-carbamate,ethyl (hydroxymethyl)carbamate,CCOC(=O)NCO,CCOC(=O)NCO,"InChI=1/C4H9NO3/c1-2-8-4(7)5-3-6/h6H,2-3H2,1H3,(H,5,7)",C4H9NO3,,,,,,LTXYFELJDAARCU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.381,225-718-3,5027-32-7,"3,4-diacetylhexane-2,5-dione","3,4-diacetylhexane-2,5-dione",CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C,CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C,"InChI=1/C10H14O4/c1-5(11)9(6(2)12)10(7(3)13)8(4)14/h9-10H,1-4H3",C10H14O4,,,,,,CSKRBHOAJUMOKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.384,225-722-5,5031-74-3,6-[(2-hydroxyethyl)sulphonyl]benzoxazol-2(3H)-one,"6-[(2-hydroxyethyl)sulfonyl]-1,3-benzoxazol-2(3H)-one",OCCS(=O)(=O)c1ccc2NC(=O)Oc2c1,OCCS(=O)(=O)c1ccc2NC(=O)Oc2c1,"InChI=1/C9H9NO5S/c11-3-4-16(13,14)6-1-2-7-8(5-6)15-9(12)10-7/h1-2,5,11H,3-4H2,(H,10,12)",C9H9NO5S,,,,,,NLKFSULXKPSHMS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.399,225-738-2,5044-19-9,"1-ethyl-2,5-dimethyl-1H-pyrrole","1-ethyl-2,5-dimethyl-1H-pyrrole",CCn1c(C)ccc1C,CCn1c(C)ccc1C,"InChI=1/C8H13N/c1-4-9-7(2)5-6-8(9)3/h5-6H,4H2,1-3H3",C8H13N,,,,,,WIXUFIYVGRNTDD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.403,225-742-4,5045-23-8,"Trisodium 5-amino-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 5-amino-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C20H15N3O10S3.3Na/c21-14-9-12(34(25,26)27)7-11-8-16(35(28,29)30)18(19(24)17(11)14)23-22-15-6-5-10-3-1-2-4-13(10)20(15)36(31,32)33;;;/h1-9,24H,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3",C20H15N3O10S3.3Na,,,,,,SHCOTFSAUPIDEC-UHFFFAOYSA-K,,,,,,,,,,,
100.023.405,225-745-0,5046-71-9,(2-hydroxyethyl)trimethylammonium 5-oxoprolinate,"2-hydroxy-N,N,N-trimethylethanaminium 5-oxopyrrolidine-2-carboxylate",C[N+](C)(C)CCO.[O-]C(=O)C1CCC(=O)N1,C[N+](C)(C)CCO.[O-]C(=O)C1CCC(=O)N1,"InChI=1/C5H7NO3.C5H14NO/c7-4-2-1-3(6-4)5(8)9;1-6(2,3)4-5-7/h3H,1-2H2,(H,6,7)(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1",C5H14NO.C5H6NO3,,,,,,BYGUCEMASSQNBH-UHFFFAOYSA-M,,,,,,,,,,,
100.023.406,225-746-6,5048-44-2,Dodec-11-enenitrile,dodec-11-enenitrile,C=CCCCCCCCCCC#N,C=CCCCCCCCCCC#N,"InChI=1/C12H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2H,1,3-11H2",C12H21N,,,,,,JCXSQWLYMCCGSN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.409,225-749-2,5051-22-9,Dexpropranolol,1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol,CC(C)NC[C@@H](O)COc1cccc2ccccc12,CC(C)NC[C@@H](O)COc1cccc2ccccc12,"InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",C16H21NO2,,,,,,AQHHHDLHHXJYJD-CQSZACIVSA-N,,,,,,,,,,,
100.023.414,225-755-5,5055-42-5,Silandrone,17-[(trimethylsilyl)oxy]androst-4-en-3-one,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[Si](C)(C)C,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[Si](C)(C)C,"InChI=1/C22H36O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h14,17-20H,6-13H2,1-5H3",C22H36O2Si,,,,,,HNZDTAXZHUDITM-WLNPFYQQSA-N,,,,,,,,,,,
100.023.422,225-763-9,5060-55-9,Prednisolone steaglate,"2-[(11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-2-oxoethyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3",C41H64O8,,,,,,RBJROVWIRLFZFC-PNLFXGMVSA-N,,,,,,,,,,,
100.023.425,225-767-0,6/03/5063,"Methyl (8,9,10-trinorborn-5-en-2-yl) ketone",1-bicyclo[2.2.1]hept-5-en-2-ylethanone,CC(=O)C1CC2CC1C=C2,CC(=O)C1CC2CC1C=C2,"InChI=1/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3",C9H12O,,,,,,NIMLCWCLVJRPFY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.091,214-399-6,1124-62-5,(3-chloropropyl)cyclohexane,(3-chloropropyl)cyclohexane,ClCCCC1CCCCC1,ClCCCC1CCCCC1,"InChI=1/C9H17Cl/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8H2",C9H17Cl,,,,,,QEISABAAOUXQNG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.092,214-401-5,1124-63-6,3-cyclohexylpropan-1-ol,3-cyclohexylpropan-1-ol,OCCCC1CCCCC1,OCCCC1CCCCC1,"InChI=1/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2",C9H18O,,,,,,CLYAQFSQLQTVNO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.106,214-416-7,1126-09-6,Ethyl 4-piperidinecarboxylate,ethyl piperidine-4-carboxylate,CCOC(=O)C1CCNCC1,CCOC(=O)C1CCNCC1,"InChI=1/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3",C8H15NO2,,,,,,RUJPPJYDHHAEEK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.107,214-417-2,1126-18-7,2-butylcyclohexanone,2-butylcyclohexanone,CCCCC1CCCCC1=O,CCCCC1CCCCC1=O,"InChI=1/C10H18O/c1-2-3-6-9-7-4-5-8-10(9)11/h9H,2-8H2,1H3",C10H18O,,,,,,POYYYXPQBFPUKS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.276,228-903-7,6372-41-4,Butyldiphenylphosphine,butyl(diphenyl)phosphine,CCCCP(c1ccccc1)c2ccccc2,CCCCP(c1ccccc1)c2ccccc2,"InChI=1/C16H19P/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3",C16H19P,,,,,,WXMZPPIDLJRXNK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.278,228-905-8,6372-69-6,"3,7-bis(dimethylamino)phenothiazin-5-ium chloride, compound with zinc chloride","3,7-bis(dimethylamino)phenothiazin-5-ium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,"InChI=1/C16H18N3S.3ClH.Zn/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;;/h5-10H,1-4H3;3*1H;/q+1;;;;+2/p-3",C16H18N3S.xCl2Zn.Cl,,,,,,HQIQJIHKIHNZTM-UHFFFAOYSA-K,,,,,,,,,,,
100.026.284,228-912-6,6373-15-5,"N-(2,4-diaminophenyl)acetamide","N-(2,4-diaminophenyl)acetamide",CC(=O)Nc1ccc(N)cc1N,CC(=O)Nc1ccc(N)cc1N,"InChI=1/C8H11N3O/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,9-10H2,1H3,(H,11,12)",C8H11N3O,,,,,,XLXOPVQPBPLVHP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.289,228-917-3,6373-46-2,4-benzyloxyaniline,4-(benzyloxy)aniline,Nc1ccc(OCc2ccccc2)cc1,Nc1ccc(OCc2ccccc2)cc1,"InChI=1/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2",C13H13NO,,,,,,FIIDVVUUWRJXLF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.291,228-919-4,6373-73-5,"N-(2,4-dinitrophenyl)benzene-1,4-diamine","N-(2,4-dinitrophenyl)benzene-1,4-diamine",Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,"InChI=1/C12H10N4O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H,13H2",C12H10N4O4,,,,,,JMDHCJDATBJFJS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.294,228-923-6,6373-93-9,"2,2'-[[4-[(6-methoxybenzothiazol-2-yl)azo]phenyl]imino]bisethanol","2,2'-({4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]phenyl}imino)diethanol",OCCN(CCO)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)OC,OCCN(CCO)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)OC,"InChI=1/C18H20N4O3S/c1-25-15-6-7-16-17(12-15)26-18(19-16)21-20-13-2-4-14(5-3-13)22(8-10-23)9-11-24/h2-7,12,23-24H,8-11H2,1H3",C18H20N4O3S,,,,,,SJZTZHPYEJPQME-UHFFFAOYSA-N,,,,,,,,,,,
100.026.296,228-925-7,6373-96-2,"N,N-diethyl-4[(2,4-dinitrophenyl)azo]aniline","4-[(2,4-dinitrophenyl)diazenyl]-N,N-diethylaniline",CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2N(=O)=O)N(=O)=O,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2N(=O)=O)N(=O)=O,"InChI=1/C16H17N5O4/c1-3-19(4-2)13-7-5-12(6-8-13)17-18-15-10-9-14(20(22)23)11-16(15)21(24)25/h5-11H,3-4H2,1-2H3",C16H17N5O4,,,,,,MZKPZDRFDHZNND-UHFFFAOYSA-N,,,,,,,,,,,
100.026.297,228-926-2,6374-21-6,Chloroethylmethylsilane,chloro(ethyl)methylsilane,CC[SiH](C)Cl,CC[SiH](C)Cl,"InChI=1/C3H9ClSi/c1-3-5(2)4/h5H,3H2,1-2H3",C3H9ClSi,,,,,,KVSBXEHXRBBNBR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.300,228-929-9,6/02/6375,5-amino-2-ethoxybenzenesulphonic acid,5-amino-2-ethoxybenzenesulfonic acid,CCOc1ccc(N)cc1S(=O)(=O)O,CCOc1ccc(N)cc1S(=O)(=O)O,"InChI=1/C8H11NO4S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)",C8H11NO4S,,,,,,INESHSIZOSSOEI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.922,228-513-7,6285-57-0,6-nitrobenzothiazol-2-amine,"6-nitro-1,3-benzothiazol-2-amine",Nc1nc2ccc(cc2s1)[N+](=O)[O-],Nc1nc2ccc(cc2s1)[N+](=O)[O-],"InChI=1/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)",C7H5N3O2S,,,,,,GPNAVOJCQIEKQF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.923,228-514-2,6285-59-2,Diethyl (1-methylbutyl)allylmalonate,diethyl allyl(1-methylbutyl)malonate,CCCC(C)C(CC=C)(C(=O)OCC)C(=O)OCC,CCCC(C)C(CC=C)(C(=O)OCC)C(=O)OCC,"InChI=1/C15H26O4/c1-6-10-12(5)15(11-7-2,13(16)18-8-3)14(17)19-9-4/h7,12H,2,6,8-11H2,1,3-5H3",C15H26O4,,,,,,VTRMVPBHEGUYBA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.930,228-522-6,6287-47-4,"2,4-di-tert-butyl-6-ethylphenol","2,4-di-tert-butyl-6-ethylphenol",CCc1cc(cc(c1O)C(C)(C)C)C(C)(C)C,CCc1cc(cc(c1O)C(C)(C)C)C(C)(C)C,"InChI=1/C16H26O/c1-8-11-9-12(15(2,3)4)10-13(14(11)17)16(5,6)7/h9-10,17H,8H2,1-7H3",C16H26O,,,,,,BNCIXFRSNPPDBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.932,228-524-7,6287-89-4,2-(2-methoxyphenoxy)pyridine,2-(2-methoxyphenoxy)pyridine,COc1ccccc1Oc2ccccn2,COc1ccccc1Oc2ccccn2,"InChI=1/C12H11NO2/c1-14-10-6-2-3-7-11(10)15-12-8-4-5-9-13-12/h2-9H,1H3",C12H11NO2,,,,,,YSBYEQVJUQJNFS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.934,228-526-8,6289-26-5,"2,5-diphenylhex-3-yne-2,5-diol","2,5-diphenylhex-3-yne-2,5-diol",CC(O)(C#CC(C)(O)c1ccccc1)c2ccccc2,CC(O)(C#CC(C)(O)c1ccccc1)c2ccccc2,"InChI=1/C18H18O2/c1-17(19,15-9-5-3-6-10-15)13-14-18(2,20)16-11-7-4-8-12-16/h3-12,19-20H,1-2H3",C18H18O2,,,,,,HJVVXZWQDRNQEH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.936,228-528-9,6289-46-9,"Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate","dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate",COC(=O)C1CC(=O)C(CC1=O)C(=O)OC,COC(=O)C1CC(=O)C(CC1=O)C(=O)OC,"InChI=1/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3",C10H12O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1907,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.936,MHKKFFHWMKEBDW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.940,228-533-6,7/05/6290,Ethyl N-(2-ethoxy-2-oxoethyl)glycinate,"diethyl 2,2'-iminodiacetate",CCOC(=O)CNCC(=O)OCC,CCOC(=O)CNCC(=O)OCC,"InChI=1/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3",C8H15NO4,,,,,,LJDNMOCAQVXVKY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.951,228-545-1,6291-85-6,3-ethoxypropylamine,3-ethoxypropan-1-amine,CCOCCCN,CCOCCCN,"InChI=1/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3",C5H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11435,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.951,SOYBEXQHNURCGE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.920,226-312-9,5349-52-0,"26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl stearate","26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl stearate",CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C36H72O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36(38)47-35-34-46-33-32-45-31-30-44-29-28-43-27-26-42-25-24-41-23-22-40-21-20-39-19-18-37/h37H,2-35H2,1H3",C36H72O11,,,,,,XPHIURAKMYNURA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.925,226-318-1,5349-99-5,"Triethyl 1-propene-1,2,3-tricarboxylate","triethyl prop-1-ene-1,2,3-tricarboxylate",O=C(C=C(CC(=O)OCC)C(=O)OCC)OCC,O=C(C=C(CC(=O)OCC)C(=O)OCC)OCC,"InChI=1/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3",C12H18O6,,,,,,IDDWGDKSBYYEPL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.926,226-319-7,8/03/5350,Pentyl laurate,pentyl laurate,CCCCCCCCCCCC(=O)OCCCCC,CCCCCCCCCCCC(=O)OCCCCC,"InChI=1/C17H34O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-16H2,1-2H3",C17H34O2,,,,,,PQWBDPUBNMEITD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.928,226-321-8,5350-57-2,Benzophenonehydrazone,(diphenylmethylene)hydrazine,NN=C(c1ccccc1)c2ccccc2,NN=C(c1ccccc1)c2ccccc2,"InChI=1/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2",C13H12N2,,,,,,QYCSNMDOZNUZIT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.934,226-328-6,5351-66-6,2-(aminothioxomethyl)benzohydrazide,2-(hydrazinocarbonyl)benzenecarbothioamide,NNC(=O)c1ccccc1C(=S)N,NNC(=O)c1ccccc1C(=S)N,"InChI=1/C8H9N3OS/c9-7(13)5-3-1-2-4-6(5)8(12)11-10/h1-4H,10H2,(H2,9,13)(H,11,12)",C8H9N3OS,,,,,,UQCICBXZCXVXGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.938,226-332-8,5354-94-9,Na-benzoyl-L-histidine,N-benzoylhistidine,OC(=O)C(Cc1c[nH]cn1)NC(=O)c2ccccc2,OC(=O)C(Cc1c[nH]cn1)NC(=O)c2ccccc2,"InChI=1/C13H13N3O3/c17-12(9-4-2-1-3-5-9)16-11(13(18)19)6-10-7-14-8-15-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19)",C13H13N3O3,,,,,,AUDPUFBIVWMAED-UHFFFAOYSA-N,,,,,,,,,,,
100.023.943,226-338-0,5355-54-4,3-chloro-2-(chloromethyl)-2-methylpropan-1-ol,3-chloro-2-(chloromethyl)-2-methylpropan-1-ol,CC(CO)(CCl)CCl,CC(CO)(CCl)CCl,"InChI=1/C5H10Cl2O/c1-5(2-6,3-7)4-8/h8H,2-4H2,1H3",C5H10Cl2O,,,,,,DOANJBQUOFJQHC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.946,226-341-7,5356-83-2,Ethoxydimethylvinylsilane,ethoxy(dimethyl)vinylsilane,CCO[Si](C)(C)C=C,CCO[Si](C)(C)C=C,"InChI=1/C6H14OSi/c1-5-7-8(3,4)6-2/h6H,2,5H2,1,3-4H3",C6H14OSi,,,,,,JEWCZPTVOYXPGG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.948,226-343-8,5356-88-7,Tris(tert-butoxy)vinylsilane,(tri-tert-butoxyvinyl)silane,CC(C)(C)OC(=C(OC(C)(C)C)OC(C)(C)C)[SiH3],CC(C)(C)OC(=C(OC(C)(C)C)OC(C)(C)C)[SiH3],"InChI=1/C14H30O3Si/c1-12(2,3)15-10(16-13(4,5)6)11(18)17-14(7,8)9/h1-9,18H3",C14H30O3Si,,,,,,KHOQACYSPZJFSY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.575,230-332-3,7053-79-4,(1S-trans)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate,5-isopropenyl-2-methylcyclohex-2-en-1-yl acetate,CC(=O)O[C@H]1C[C@@H](CC=C1C)C(=C)C,CC(=O)O[C@H]1C[C@@H](CC=C1C)C(=C)C,"InChI=1/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3",C12H18O2,,,,,,YTHRBOFHFYZBRJ-NEPJUHHUSA-N,,,,,,,,,,,
100.027.580,230-338-6,7057-57-0,"9-(dimethylamino)benzo[a]phenazin-7-ium chloride, compound with zinc chloride","9-(dimethylamino)benzo[a]phenazin-7-ium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc2nc3c(ccc4ccccc34)[nH+]c2c1,[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc2nc3c(ccc4ccccc34)[nH+]c2c1,"InChI=1/C18H15N3.3ClH.Zn/c1-21(2)13-8-10-15-17(11-13)19-16-9-7-12-5-3-4-6-14(12)18(16)20-15;;;;/h3-11H,1-2H3;3*1H;/q;;;;+2/p-2",C18H15N2O.xCl2Zn.Cl,,,,,,OZIFNEWPNKWURI-UHFFFAOYSA-L,,,,,,,,,,,
100.027.590,230-349-6,7059-49-6,12-hydroxyoctadecan-1-amide,12-hydroxyoctadecanamide,CCCCCCC(O)CCCCCCCCCCC(=O)N,CCCCCCC(O)CCCCCCCCCCC(=O)N,"InChI=1/C18H37NO2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21/h17,20H,2-16H2,1H3,(H2,19,21)",C18H37NO2,,,,,,ALDZNWBBPCZXGH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.606,230-366-9,7072-00-6,10-methylanthracene-9-carbaldehyde,10-methylanthracene-9-carbaldehyde,Cc1c2ccccc2c(C=O)c3ccccc13,Cc1c2ccccc2c(C=O)c3ccccc13,"InChI=1/C16H12O/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-10H,1H3",C16H12O,,,,,,KVWSVUPNZVIFBN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.612,230-373-7,7076-23-5,(R)-3-(pyrrolidin-2-yl)pyridine,3-pyrrolidin-2-ylpyridine,C1CN[C@H](C1)c2cccnc2,C1CN[C@H](C1)c2cccnc2,"InChI=1/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2",C9H12N2,,,,,,MYKUKUCHPMASKF-SECBINFHSA-N,,,,,,,,,,,
100.027.614,230-375-8,6/05/7077,trans-4-isopropylcyclohexanecarboxylic acid,4-isopropylcyclohexanecarboxylic acid,CC(C)[C@@H]1CC[C@H](CC1)C(=O)O,CC(C)[C@@H]1CC[C@H](CC1)C(=O)O,"InChI=1/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)",C10H18O2,,,,,,YRQKWRUZZCBSIG-KYZUINATSA-N,,,,,,,,,,,
100.027.615,230-376-3,7077-34-1,Trolnitrate,"nitrilotriethane-2,1-diyl trinitrate",[O-][N+](=O)OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-],[O-][N+](=O)OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-],InChI=1/C6H12N4O9/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16/h1-6H2,C6H12N4O9,,,,,,HWKQNAWCHQMZHK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.489,233-552-8,10230-69-0,1-(benzylthio)acetone,1-(benzylsulfanyl)acetone,CC(=O)CSCc1ccccc1,CC(=O)CSCc1ccccc1,"InChI=1/C10H12OS/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C10H12OS,,,,,,OIEDQMIEPJIRFT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.494,233-558-0,10233-01-9,"Sulphuric acid, potassium salt",potassium hydrogen sulfate,[K+].OS(=O)(=O)[O-],[K+].OS(=O)(=O)[O-],"InChI=1/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",H2O4S.xK,,,,,,CHKVPAROMQMJNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.024.377,226-814-8,3/03/5486,Buquinolate,"ethyl 4-hydroxy-6,7-diisobutoxyquinoline-3-carboxylate",CCOC(=O)c1cnc2cc(OCC(C)C)c(OCC(C)C)cc2c1O,CCOC(=O)c1cnc2cc(OCC(C)C)c(OCC(C)C)cc2c1O,"InChI=1/C20H27NO5/c1-6-24-20(23)15-9-21-16-8-18(26-11-13(4)5)17(25-10-12(2)3)7-14(16)19(15)22/h7-9,12-13H,6,10-11H2,1-5H3,(H,21,22)",C20H27NO5,,,,,,LVVXOXRUTDAKFE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.378,226-815-3,6/06/5486,"(R*,R*)-(±)-1,2-dipyridin-4-ylethane-1,2-diol","1,2-dipyridin-4-ylethane-1,2-diol",OC(C(O)c1ccncc1)c2ccncc2,OC(C(O)c1ccncc1)c2ccncc2,"InChI=1/C12H12N2O2/c15-11(9-1-5-13-6-2-9)12(16)10-3-7-14-8-4-10/h1-8,11-12,15-16H",C12H12N2O2,,,,,,DHKSJSQSVHHBPH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.381,226-819-5,5488-16-4,"2,5-dihydroxy-p-benzenediacetic acid","2,2'-(2,5-dihydroxy-1,4-phenylene)diacetic acid",OC(=O)Cc1cc(O)c(CC(=O)O)cc1O,OC(=O)Cc1cc(O)c(CC(=O)O)cc1O,"InChI=1/C10H10O6/c11-7-1-5(3-9(13)14)8(12)2-6(7)4-10(15)16/h1-2,11-12H,3-4H2,(H,13,14)(H,15,16)",C10H10O6,,,,,,MCLKERLHVBEZIW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.382,226-820-0,5488-45-9,8-[(tributylstannyl)oxy]quinoline,8-[(tributylstannyl)oxy]quinoline,CCCC[Sn](CCCC)(CCCC)Oc1cccc2cccnc12,CCCC[Sn](CCCC)(CCCC)Oc1cccc2cccnc12,"InChI=1/C9H7NO.3C4H9.Sn/c11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-3-4-2;/h1-6,11H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC21H33NOSn/c1-4-7-16-24(17-8-5-2,18-9-6-3)23-20-14-10-12-19-13-11-15-22-21(19)20/h10-15H,4-9,16-18H2,1-3H3",C21H33NOSn,,,,,,DJKDNXSBSRRGIU-UHFFFAOYSA-M,,,,,,,,,,,
100.024.383,226-821-6,5489-14-5,Silver(1+) propionate,silver(1+) propionate,[Ag+].CCC(=O)[O-],[Ag+].CCC(=O)[O-],"InChI=1/C3H6O2.Ag/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1",C3H6O2.Ag,,,,,,CYLMOXYXYHNGHZ-UHFFFAOYSA-M,,,,,,,,,,,
100.024.386,226-824-2,5492-69-3,Tetraethylammonium periodate,"N,N,N-triethylethanaminium periodate",CC[N+](CC)(CC)CC.[O-]I(=O)(=O)=O,CC[N+](CC)(CC)CC.[O-]I(=O)(=O)=O,"InChI=1/C8H20N.HIO4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C8H20N.IO4,,,,,,YXYPONURGKGPDV-UHFFFAOYSA-M,,,,,,,,,,,
100.024.387,226-825-8,5492-79-5,"(Z,E)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one","4-but-2-en-1-ylidene-3,5,5-trimethylcyclohex-2-en-1-one",CC1(C)CC(=O)\\C=C(\\C)C1=CC=CC,CC1(C)CC(=O)\C=C(\C)C1=CC=CC,"InChI=1/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3",C13H18O,,,,,,CBQXHTWJSZXYSK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.391,226-830-5,6/10/5496,1-aminocyclohexanecarbonitrile,1-aminocyclohexanecarbonitrile,NC1(CCCCC1)C#N,NC1(CCCCC1)C#N,"InChI=1/C7H12N2/c8-6-7(9)4-2-1-3-5-7/h1-5,9H2",C7H12N2,,,,,,HUMMCZRNZCKXHL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.392,226-831-0,5496-71-9,"N,N'-cyclohexa-2,5-diene-1,4-diylidenebis[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilinium] bis[hexafluoroantimonate(1-)]","N,N'-cyclohexa-2,5-diene-1,4-diylidenebis{4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilinium} bis[hexafluoroantimonate(1-)]",CCCCN(CCCC)c1ccc(cc1)[N+](=C2C=CC(=[N+](c3ccc(cc3)N(CCCC)CCCC)c4ccc(cc4)N(CCCC)CCCC)C=C2)c5ccc(cc5)N(CCCC)CCCC.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F,CCCCN(CCCC)c1ccc(cc1)[N+](=C2C=CC(=[N+](c3ccc(cc3)N(CCCC)CCCC)c4ccc(cc4)N(CCCC)CCCC)C=C2)c5ccc(cc5)N(CCCC)CCCC.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F,"InChI=1/C62H92N6.12FH.2Sb/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;;;;;;;;;;;;;;/h25-44H,9-24,45-52H2,1-8H3;12*1H;;/q+2;;;;;;;;;;;;;2*+5/p-12/rC62H92N6.2F6Sb/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;2*1-7(2,3,4,5)6/h25-44H,9-24,45-52H2,1-8H3;;/q+2;2*-1",C62H92N6.2F6Sb,,,,,,PNJNMXYMTWLKIW-UHFFFAOYSA-B,,,,,,,,,,,
100.013.112,214-423-5,1126-67-6,Hexahydro-2H-azocine-1-ethylamine,2-azocan-1-ylethanamine,NCCN1CCCCCCC1,NCCN1CCCCCCC1,InChI=1/C9H20N2/c10-6-9-11-7-4-2-1-3-5-8-11/h1-10H2,C9H20N2,,,,,,ZFGCHESRGLETHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.113,214-424-0,1126-74-5,3-pyridylacrylic acid,3-pyridin-2-ylacrylic acid,OC(=O)\\C=C\\c1ccccn1,OC(=O)\C=C\c1ccccn1,"InChI=1/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)",C8H7NO2,,,,,,LKDFTXDJKHGCAC-SNAWJCMRSA-N,,,,,,,,,,,
100.013.114,214-425-6,1126-78-9,N-butylaniline,N-butylaniline,CCCCNc1ccccc1,CCCCNc1ccccc1,"InChI=1/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3",C10H15N,,,,,,VSHTWPWTCXQLQN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.116,214-427-7,1126-81-4,4'-mercaptoacetanilide,N-(4-sulfanylphenyl)acetamide,CC(=O)Nc1ccc(S)cc1,CC(=O)Nc1ccc(S)cc1,"InChI=1/C8H9NOS/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",C8H9NOS,,,,,,AYEQJLOHMLYKAV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.120,214-431-9,1127-59-9,"7-methyl-1H-indole-2,3-dione","7-methyl-1H-indole-2,3-dione",Cc1cccc2C(=O)C(=O)Nc12,Cc1cccc2C(=O)C(=O)Nc12,"InChI=1/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)",C9H7NO2,,,,,,UEHZKEABUOAZSH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.121,214-432-4,1127-76-0,1-ethylnaphthalene,1-ethylnaphthalene,CCc1cccc2ccccc12,CCc1cccc2ccccc12,"InChI=1/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3",C12H12,,,,,,ZMXIYERNXPIYFR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.125,214-437-1,1128-32-1,"5,6-dimethoxy-m-cresol","2,3-dimethoxy-5-methylphenol",COc1cc(C)cc(O)c1OC,COc1cc(C)cc(O)c1OC,"InChI=1/C9H12O3/c1-6-4-7(10)9(12-3)8(5-6)11-2/h4-5,10H,1-3H3",C9H12O3,,,,,,XBGHSBRNXBJICG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.128,214-440-8,1128-67-2,3-methylbenzothiazol-2(3H)-one hydrazone,"2-hydrazono-3-methyl-2,3-dihydro-1,3-benzothiazole",CN1c2ccccc2SC1=NN,CN1c2ccccc2SC1=NN,"InChI=1/C8H9N3S/c1-11-6-4-2-3-5-7(6)12-8(11)10-9/h2-5H,9H2,1H3",C8H9N3S,,,,,,PHOLIFLKGONSGY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.130,214-442-9,1129-30-2,"Pyridine-2,6-diacetyl","1,1'-pyridine-2,6-diyldiethanone",CC(=O)c1cccc(n1)C(=O)C,CC(=O)c1cccc(n1)C(=O)C,"InChI=1/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3",C9H9NO2,,,,,,BEZVGIHGZPLGBL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.134,214-447-6,1129-42-6,6-methyl-2-oxoperhydropyrimidin-4-ylurea,1-(6-methyl-2-oxohexahydropyrimidin-4-yl)urea,CC1CC(NC(=O)N)NC(=O)N1,CC1CC(NC(=O)N)NC(=O)N1,"InChI=1/C6H12N4O2/c1-3-2-4(9-5(7)11)10-6(12)8-3/h3-4H,2H2,1H3,(H3,7,9,11)(H2,8,10,12)",C6H12N4O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10066,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.134,CZAUMIGWDFREBR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.135,214-448-1,1129-47-1,Cyclohexyl isobutyrate,cyclohexyl 2-methylpropanoate,CC(C)C(=O)OC1CCCCC1,CC(C)C(=O)OC1CCCCC1,"InChI=1/C10H18O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",C10H18O2,,,,,,IYYXBWAISHVFEX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.137,214-450-2,1129-52-8,"2,4,6-tris(chloromethyl)-1,3,5-trioxane","2,4,6-tris(chloromethyl)-1,3,5-trioxane",ClCC1OC(CCl)OC(CCl)O1,ClCC1OC(CCl)OC(CCl)O1,"InChI=1/C6H9Cl3O3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h4-6H,1-3H2",C6H9Cl3O3,,,,,,DZPKGHCUNRKJJO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.968,231-864-9,4/09/7770,"2-hydroxypropane-1,3-diyl dimyristate","2-hydroxypropane-1,3-diyl ditetradecanoate",CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC,"InChI=1/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3",C31H60O5,,,,,,JADYBWICRJWGBW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.970,231-867-5,7772-98-7,Sodium thiosulphate,disodium thiosulfate,[Na+].[Na+].[O-]S(=O)(=O)[S-],[Na+].[Na+].[O-]S(=O)(=O)[S-],"InChI=1/2Na.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O3S2.2Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14321,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.970,AKHNMLFCWUSKQB-UHFFFAOYSA-L,,,,,,,,,,,
100.028.981,231-879-0,7774-68-7,"1,1'-oxybis[2,3-dichloropropane]","1,2-dichloro-3-(2,3-dichloropropoxy)propane",ClCC(Cl)COCC(Cl)CCl,ClCC(Cl)COCC(Cl)CCl,"InChI=1/C6H10Cl4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2",C6H10Cl4O,,,,,,DWUVEXODBSOVSX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.987,231-885-3,7775-00-0,3-(p-cumenyl)propionaldehyde,3-(4-isopropylphenyl)propanal,CC(C)c1ccc(CCC=O)cc1,CC(C)c1ccc(CCC=O)cc1,"InChI=1/C12H16O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5-10H,3-4H2,1-2H3",C12H16O,,,,,,RLEFOSDUWZYGOS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.989,231-887-4,9/09/7775,Sodium chlorate,sodium chlorate,[Na+].[O-]Cl(=O)=O,[Na+].[O-]Cl(=O)=O,"InChI=1/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",ClHO3.Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14688,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.989,YZHUMGUJCQRKBT-UHFFFAOYSA-M,,,,,,,,,,,
100.028.991,231-890-0,7775-14-6,Sodium dithionite,disodium dithionite,[Na+].[Na+].[O-]S(=O)S(=O)[O-],[Na+].[Na+].[O-]S(=O)S(=O)[O-],"InChI=1/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2",H2O4S2.2Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15288,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.991,JVBXVOWTABLYPX-UHFFFAOYSA-L,,,,,,,,,,,
100.028.996,231-895-8,7775-41-9,Silver fluoride,silver(1+) fluoride,[F-].[Ag+],[F-].[Ag+],InChI=1/Ag.FH/h;1H/q+1;/p-1,AgF,,,,,,REYHXKZHIMGNSE-UHFFFAOYSA-M,,,,,,,,,,,
100.025.952,228-546-7,6291-88-9,"3,3'-sulphonyldipropionic acid","3,3'-sulfonyldipropanoic acid",OC(=O)CCS(=O)(=O)CCC(=O)O,OC(=O)CCS(=O)(=O)CCC(=O)O,"InChI=1/C6H10O6S/c7-5(8)1-3-13(11,12)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)",C6H10O6S,,,,,,FBFBNGJZFXSFFY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.953,228-547-2,9/01/6292,Calcium acrylate,calcium diacrylate,[Ca+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Ca+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Ca/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Ca,,,,,,TXTCTCUXLQYGLA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.956,228-550-9,6292-82-6,"2,2,4,6-tetramethylpiperidine","2,2,4,6-tetramethylpiperidine",CC1CC(C)NC(C)(C)C1,CC1CC(C)NC(C)(C)C1,"InChI=1/C9H19N/c1-7-5-8(2)10-9(3,4)6-7/h7-8,10H,5-6H2,1-4H3",C9H19N,,,,,,NGBCPOUXXDBLMT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.961,228-556-1,6294-31-1,Dihexyl sulphide,"1,1'-sulfanediyldihexane",CCCCCCSCCCCCC,CCCCCCSCCCCCC,"InChI=1/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3",C12H26S,,,,,,LHNRHYOMDUJLLM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.423,233-479-1,10193-95-0,"1,4-butanediyl bis(mercaptoacetate)","butane-1,4-diyl bis(sulfanylacetate)",SCC(=O)OCCCCOC(=O)CS,SCC(=O)OCCCCOC(=O)CS,"InChI=1/C8H14O4S2/c9-7(5-13)11-3-1-2-4-12-8(10)6-14/h13-14H,1-6H2",C8H14O4S2,,,,,,IPNDIMIIGZSERC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.430,233-487-5,10196-49-3,"2,2,4-trimethyl-1-oxa-4-aza-2-silacyclohexane","2,2,4-trimethyl-1,4,2-oxazasilinane",CN1CCO[Si](C)(C)C1,CN1CCO[Si](C)(C)C1,"InChI=1/C6H15NOSi/c1-7-4-5-8-9(2,3)6-7/h4-6H2,1-3H3",C6H15NOSi,,,,,,GGPLWEZGITVTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.432,233-489-6,10196-67-5,Cadmium myristate,cadmium ditetradecanoate,[Cd+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C14H28O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2",C14H28O2.1/2Cd,,,,,,KADXVMUKRHQBGS-UHFFFAOYSA-L,,,,,,,,,,,
100.030.436,233-493-8,10197-71-4,"Phthalic acid, sodium salt",sodium 2-carboxybenzoate,[Na+].OC(=O)c1ccccc1C(=O)[O-],[Na+].OC(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1",C8H6O4.xNa,,,,,,IZUPJOYPPLEPGM-UHFFFAOYSA-M,,,,,,,,,,,
100.030.446,233-505-1,10205-34-2,Methyl 3-(dimethylamino)-2-methylpropionate,methyl 3-(dimethylamino)-2-methylpropanoate,COC(=O)C(C)CN(C)C,COC(=O)C(C)CN(C)C,"InChI=1/C7H15NO2/c1-6(5-8(2)3)7(9)10-4/h6H,5H2,1-4H3",C7H15NO2,,,,,,DDLJXUCYCFDNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.451,233-510-9,10209-10-6,Diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,diphenylmethyl 3-methyl-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,CC1=C(N2[C@@H](SC1)[C@@H](NC(=O)COc3ccccc3)C2=O)C(=O)OC(c4ccccc4)c5ccccc5,CC1=C(N2[C@@H](SC1)[C@@H](NC(=O)COc3ccccc3)C2=O)C(=O)OC(c4ccccc4)c5ccccc5,"InChI=1/C29H26N2O5S/c1-19-18-37-28-24(30-23(32)17-35-22-15-9-4-10-16-22)27(33)31(28)25(19)29(34)36-26(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)",C29H26N2O5S,,,,,,AUNFRQANODILJJ-CUBQBAPOSA-N,,,,,,,,,,,
100.030.456,233-516-1,10212-58-5,2-methyl-N-octadecylaziridine-1-carboxamide,2-methyl-N-octadecylaziridine-1-carboxamide,CCCCCCCCCCCCCCCCCCNC(=O)N1CC1C,CCCCCCCCCCCCCCCCCCNC(=O)N1CC1C,"InChI=1/C22H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22(25)24-20-21(24)2/h21H,3-20H2,1-2H3,(H,23,25)",C22H44N2O,,,,,,ZWCLYJFNWMDODI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.460,233-520-3,10213-78-2,"2,2'-(octadecylimino)bisethanol","2,2'-(octadecylimino)diethanol",CCCCCCCCCCCCCCCCCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCN(CCO)CCO,"InChI=1/C22H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h24-25H,2-22H2,1H3",C22H47NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17336,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.460,NDLNTMNRNCENRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.461,233-521-9,10213-94-2,"Diphosphoric acid, iron sodium salt",iron(2+) sodium hydrogen diphosphate,[Na].[Fe].OP(O)(=O)OP(O)(O)=O,[Na].[Fe].OP(O)(=O)OP(O)(O)=O,"InChI=1/Fe.Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q+2;+1;",Fe.xH4O7P2.xNa,,,,,,AWIFDWXABDMEBU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.306,228-936-7,6375-27-5,"2',5'-dimethoxyacetoacetanilide","N-[2,5-bis(methoxyacetyl)phenyl]acetamide",COCC(=O)c1ccc(C(=O)COC)c(NC(=O)C)c1,COCC(=O)c1ccc(C(=O)COC)c(NC(=O)C)c1,"InChI=1/C14H17NO5/c1-9(16)15-12-6-10(13(17)7-19-2)4-5-11(12)14(18)8-20-3/h4-6H,7-8H2,1-3H3,(H,15,16)",C12H15NO4,,,,,,YSVBDNDWEVLZCU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.307,228-937-2,6375-46-8,N-[3-(diethylamino)phenyl]acetamide,N-[3-(diethylamino)phenyl]acetamide,CCN(CC)c1cccc(NC(=O)C)c1,CCN(CC)c1cccc(NC(=O)C)c1,"InChI=1/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)",C12H18N2O,,,,,,FPUKYOSOAAPHTN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.311,228-941-4,6375-70-8,N-(3-amino-4-methylphenyl)-N-ethylacetamide,N-(3-amino-4-methylphenyl)-N-ethylacetamide,CCN(C(=O)C)c1ccc(C)c(N)c1,CCN(C(=O)C)c1ccc(C)c(N)c1,"InChI=1/C11H16N2O/c1-4-13(9(3)14)10-6-5-8(2)11(12)7-10/h5-7H,4,12H2,1-3H3",C11H16N2O,,,,,,DAOVJXMODJTKDC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.332,226-765-2,3/04/5465,2-phenyl-1-benzopyran-4(4H)-thione,2-phenyl-4H-chromene-4-thione,S=C1C=C(Oc2ccccc12)c3ccccc3,S=C1C=C(Oc2ccccc12)c3ccccc3,InChI=1/C15H10OS/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,C15H10OS,,,,,,BWAGQNPYTNMEJP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.339,226-773-6,5466-57-9,2-(dichloromethyl)-1H-benzimidazole,2-(dichloromethyl)-1H-benzimidazole,ClC(Cl)c1nc2ccccc2[nH]1,ClC(Cl)c1nc2ccccc2[nH]1,"InChI=1/C8H6Cl2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)",C8H6Cl2N2,,,,,,XIIOQTJSDMWKQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.344,226-778-3,5467-72-1,2-amino-1-(4-bromophenyl)ethan-1-one hydrochloride,2-amino-1-(4-bromophenyl)ethanone hydrochloride,Cl.NCC(=O)c1ccc(Br)cc1,Cl.NCC(=O)c1ccc(Br)cc1,"InChI=1/C8H8BrNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H",C8H8BrNO.ClH,,,,,,ROAVTVXTYFSQEA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.348,226-783-0,3/05/5468,"2-benzyl-4-methyl-1,3-dioxolane","2-benzyl-4-methyl-1,3-dioxolane",CC1COC(Cc2ccccc2)O1,CC1COC(Cc2ccccc2)O1,"InChI=1/C11H14O2/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3",C11H14O2,,,,,,HVTGPXYNYDWJHK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.349,226-784-6,5/07/5468,"2-benzyl-4-methyl-1,3-dioxane","2-benzyl-4-methyl-1,3-dioxane",CC1CCOC(Cc2ccccc2)O1,CC1CCOC(Cc2ccccc2)O1,"InChI=1/C12H16O2/c1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3",C12H16O2,,,,,,BKOLAFYRIGGULV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.350,226-785-1,6/08/5468,"2-benzyl-5,5-dimethyl-1,3-dioxane","2-benzyl-5,5-dimethyl-1,3-dioxane",CC1(C)COC(Cc2ccccc2)OC1,CC1(C)COC(Cc2ccccc2)OC1,"InChI=1/C13H18O2/c1-13(2)9-14-12(15-10-13)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3",C13H18O2,,,,,,IHCANIZNDDYSKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.354,226-789-3,5468-75-7,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-methylphenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c4,"InChI=1/C34H30Cl2N6O4/c1-19-9-5-7-11-27(19)37-33(45)31(21(3)43)41-39-29-15-13-23(17-25(29)35)24-14-16-30(26(36)18-24)40-42-32(22(4)44)34(46)38-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)",C34H30Cl2N6O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15898,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.354,LQZFGPJGXVFSTR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.355,226-790-9,5468-76-8,"2,2-dichloro-N,N-dimethylacetamide","2,2-dichloro-N,N-dimethylacetamide",CN(C)C(=O)C(Cl)Cl,CN(C)C(=O)C(Cl)Cl,"InChI=1/C4H7Cl2NO/c1-7(2)4(8)3(5)6/h3H,1-2H3",C4H7Cl2NO,,,,,,UOMXIKXHYRRODT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.357,226-793-5,5469-19-2,"5-bromo-1,2,4-trimethylbenzene","1-bromo-2,4,5-trimethylbenzene",Cc1cc(C)c(Br)cc1C,Cc1cc(C)c(Br)cc1C,"InChI=1/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3",C9H11Br,,,,,,SCZXFZRJDVZMJI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.363,226-799-8,5470-18-8,2-chloro-3-nitropyridine,2-chloro-3-nitropyridine,[O-][N+](=O)c1cccnc1Cl,[O-][N+](=O)c1cccnc1Cl,InChI=1/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,C5H3ClN2O2,,,,,,UUOLETYDNTVQDY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.369,226-805-9,9/08/5471,Bis(phenethylammonium) sulphate,bis(2-phenylethanaminium) sulfate,[NH3+]CCc1ccccc1.[NH3+]CCc2ccccc2.[O-]S(=O)(=O)[O-],[NH3+]CCc1ccccc1.[NH3+]CCc2ccccc2.[O-]S(=O)(=O)[O-],"InChI=1/2C8H11N.H2O4S/c2*9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h2*1-5H,6-7,9H2;(H2,1,2,3,4)",C8H11N.1/2H2O4S,,,,,,HETQJCLNYNEHRE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.371,226-808-5,5471-63-6,"1,3-diphenylisobenzofuran","1,3-diphenyl-2-benzofuran",o1c(c2ccccc2)c3ccccc3c1c4ccccc4,o1c(c2ccccc2)c3ccccc3c1c4ccccc4,InChI=1/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H,C20H14O,,,,,,ZKSVYBRJSMBDMV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.000,228-599-6,6303-15-7,"Tris(6-methylheptane-2,4-dionato-O,O')aluminium",aluminum tris(6-methyl-4-oxohept-2-en-2-olate),CC(C)CC(=O)C=C(C)O[Al](OC(=CC(=O)CC(C)C)C)OC(=CC(=O)CC(C)C)C,CC(C)CC(=O)C=C(C)O[Al](OC(=CC(=O)CC(C)C)C)OC(=CC(=O)CC(C)C)C,"InChI=1/3C8H14O2.Al/c3*1-6(2)4-8(10)5-7(3)9;/h3*5-6,9H,4H2,1-3H3;/q;;;+3/p-3",C24H39AlO6,,,,,,AYJWQCYSRKLGJH-UHFFFAOYSA-K,,,,,,,,,,,
100.026.005,228-605-7,6304-16-1,1-(4-pyridyl)acetone,1-pyridin-4-ylacetone,CC(=O)Cc1ccncc1,CC(=O)Cc1ccncc1,"InChI=1/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3",C8H9NO,,,,,,ILRVKOYYFFNXDB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.006,228-606-2,6304-24-1,2-isobutylpyridine,2-isobutylpyridine,CC(C)Cc1ccccn1,CC(C)Cc1ccccn1,"InChI=1/C9H13N/c1-8(2)7-9-5-3-4-6-10-9/h3-6,8H,7H2,1-2H3",C9H13N,,,,,,BBVSPSDWPYWMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.960,230-756-9,7306-46-9,"4-(chloromethyl)-1,2-dimethoxybenzene","4-(chloromethyl)-1,2-dimethoxybenzene",COc1ccc(CCl)cc1OC,COc1ccc(CCl)cc1OC,"InChI=1/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3",C9H11ClO2,,,,,,WWHJLVMBXXXUFO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.968,230-765-8,7309-45-7,Ethyl 2-cyano-3-methylvalerate,ethyl 2-cyano-3-methylpentanoate,CCOC(=O)C(C#N)C(C)CC,CCOC(=O)C(C#N)C(C)CC,"InChI=1/C9H15NO2/c1-4-7(3)8(6-10)9(11)12-5-2/h7-8H,4-5H2,1-3H3",C9H15NO2,,,,,,INPSAVANRKDAJY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.360,228-995-9,6388-26-7,"Benzoic acid, 2-hydroxy-5-[[4-[[4-[[8-hydroxy-7-[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]azo]-3,6-disulfo-1-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]-, pentasodium salt","pentasodium 5-({4-[(4-anilino-6-{[8-hydroxy-7-({4-[(8-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}diazenyl)-3,6-disulfonato-1-naphthyl]amino}-1,3,5-triazin-2-yl)amino]phenyl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc2cc(OC)c(cc2C)N=Nc3c(O)c8c(cc3S([O-])(=O)=O)cc(cc8Nc7nc(Nc4ccccc4)nc(Nc6ccc(N=Nc5cc(C([O-])=O)c(O)cc5)cc6)n7)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc2cc(OC)c(cc2C)N=Nc3c(O)c8c(cc3S([O-])(=O)=O)cc(cc8Nc7nc(Nc4ccccc4)nc(Nc6ccc(N=Nc5cc(C([O-])=O)c(O)cc5)cc6)n7)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C50H38N12O18S4.5Na/c1-24-14-36(41(80-2)23-35(24)59-61-38-21-32(82(71,72)73)15-25-16-33(83(74,75)76)22-40(64)43(25)38)60-62-45-42(84(77,78)79)18-26-17-31(81(68,69)70)20-37(44(26)46(45)65)53-50-55-48(51-27-6-4-3-5-7-27)54-49(56-50)52-28-8-10-29(11-9-28)57-58-30-12-13-39(63)34(19-30)47(66)67;;;;;/h3-23,63-65H,1-2H3,(H,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H3,51,52,53,54,55,56);;;;;/q;5*+1/p-5",C50H38N12O18S4.5Na,,,,,,HTPJPKXFBLUBPI-UHFFFAOYSA-I,,,,,,,,,,,
100.026.361,228-996-4,6388-47-2,2-amino-3-chlorobenzoic acid,2-amino-3-chlorobenzoic acid,Nc1c(Cl)cccc1C(=O)O,Nc1c(Cl)cccc1C(=O)O,"InChI=1/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)",C7H6ClNO2,,,,,,LWUAMROXVQLJKA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.369,229-005-8,6396-76-5,"1-(2,6-xylyl)thiourea","1-(2,6-dimethylphenyl)thiourea",Cc1cccc(C)c1NC(=S)N,Cc1cccc(C)c1NC(=S)N,"InChI=1/C9H12N2S/c1-6-4-3-5-7(2)8(6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)",C9H12N2S,,,,,,ASNKJUONFPQYPC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.371,229-007-9,6396-93-6,3-methyl-1-phenethylbutylamine,5-methyl-1-phenylhexan-3-amine,CC(C)CC(N)CCc1ccccc1,CC(C)CC(N)CCc1ccccc1,"InChI=1/C13H21N/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,14H2,1-2H3",C13H21N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10399,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.371,CRTSWORLYAUHOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.373,229-010-5,6397-82-6,4'-methoxyhexanophenone,1-(4-methoxyphenyl)hexan-1-one,CCCCCC(=O)c1ccc(OC)cc1,CCCCCC(=O)c1ccc(OC)cc1,"InChI=1/C13H18O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10H,3-6H2,1-2H3",C13H18O2,,,,,,GDNTZLJAPCYKJR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.374,229-011-0,6399-72-0,6-amino-7-hydroxynaphthalene-2-sulphonic acid,6-amino-7-hydroxynaphthalene-2-sulfonic acid,Nc1cc2ccc(cc2cc1O)S(=O)(=O)O,Nc1cc2ccc(cc2cc1O)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,MVGYYGCFVPMJAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.001,230-801-2,7325-46-4,p-phenylenediacetic acid,"2,2'-(1,4-phenylene)diacetic acid",OC(=O)Cc1ccc(CC(=O)O)cc1,OC(=O)Cc1ccc(CC(=O)O)cc1,"InChI=1/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",C10H10O4,,,,,,SLWIPPZWFZGHEU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.002,230-802-8,7325-84-0,Docosyltrichlorosilane,trichloro(docosyl)silane,CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C22H45Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23,24)25/h2-22H2,1H3",C22H45Cl3Si,,,,,,ADBSXCRGUFFLBC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.003,230-803-3,7326-19-4,(R)-3-phenyllactic acid,2-hydroxy-3-phenylpropanoic acid,O[C@H](Cc1ccccc1)C(=O)O,O[C@H](Cc1ccccc1)C(=O)O,"InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",C9H10O3,,,,,,VOXXWSYKYCBWHO-MRVPVSSYSA-N,,,,,,,,,,,
100.028.005,230-805-4,7327-66-4,"Hexane-1,3,5-triol","hexane-1,3,5-triol",CC(O)CC(O)CCO,CC(O)CC(O)CCO,"InChI=1/C6H14O3/c1-5(8)4-6(9)2-3-7/h5-9H,2-4H2,1H3",C6H14O3,,,,,,WJSATVJYSKVUGV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.010,230-811-7,7328-17-8,2-(2-ethoxyethoxy)ethyl acrylate,2-(2-ethoxyethoxy)ethyl acrylate,CCOCCOCCOC(=O)C=C,CCOCCOCCOC(=O)C=C,"InChI=1/C9H16O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3H,1,4-8H2,2H3",C9H16O4,,,,,,FTALTLPZDVFJSS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.012,230-813-8,7328-22-5,2-(2-butoxyethoxy)ethyl methacrylate,2-(2-butoxyethoxy)ethyl methacrylate,CCCCOCCOCCOC(=O)C(=C)C,CCCCOCCOCCOC(=O)C(=C)C,"InChI=1/C12H22O4/c1-4-5-6-14-7-8-15-9-10-16-12(13)11(2)3/h2,4-10H2,1,3H3",C12H22O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10356,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.012,QGTBRAFPWNISIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.019,230-821-1,6/04/7329,"1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2-methanol","1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-ylmethanol",OCC1CC2CC1C3C4CC(C=C4)C23,OCC1CC2CC1C3C4CC(C=C4)C23,"InChI=1/C13H18O/c14-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13/h1-2,7-14H,3-6H2",C13H18O,,,,,,LLPLOWFYJGZIBV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.022,230-824-8,7330-32-7,Di-tert-butyl pentasulphide,di-tert-butylpentasulfane,CC(C)(C)SSSSSC(C)(C)C,CC(C)(C)SSSSSC(C)(C)C,"InChI=1/C8H18S5/c1-7(2,3)9-11-13-12-10-8(4,5)6/h1-6H3",C8H18S5,,,,,,CZVOXOJHCICATK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.984,232-995-4,10000-42-7,"p-[[2,5-dimethoxy-4-(phenylazo)phenyl]azo]phenol","4-{[2,5-dimethoxy-4-(phenyldiazenyl)phenyl]diazenyl}phenol",COc3cc(N=Nc1ccccc1)c(cc3N=Nc2ccc(O)cc2)OC,COc3cc(N=Nc1ccccc1)c(cc3N=Nc2ccc(O)cc2)OC,"InChI=1/C20H18N4O3/c1-26-19-13-18(24-22-15-8-10-16(25)11-9-15)20(27-2)12-17(19)23-21-14-6-4-3-5-7-14/h3-13,25H,1-2H3",C20H18N4O3,,,,,,OFKPVDIIXRRPRT-UHFFFAOYSA-N,,,,,,,,,,,
100.029.985,232-997-5,10000-56-3,"N-butyl-4-[(2,5-dimethoxyphenyl)azo]-3-hydroxynaphthalene-2-carboxamide","N-butyl-4-[(2,5-dimethoxyphenyl)diazenyl]-3-hydroxy-2-naphthamide",COc3ccc(cc3N=Nc1c2ccccc2cc(C(=O)NCCCC)c1O)OC,COc3ccc(cc3N=Nc1c2ccccc2cc(C(=O)NCCCC)c1O)OC,"InChI=1/C23H25N3O4/c1-4-5-12-24-23(28)18-13-15-8-6-7-9-17(15)21(22(18)27)26-25-19-14-16(29-2)10-11-20(19)30-3/h6-11,13-14,27H,4-5,12H2,1-3H3,(H,24,28)",C23H25N3O4,,,,,,BYXVUFFSLNCCLH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.750,226-124-7,5285-85-8,"(R*,R*)-(±)-2-nitro-1-phenylpropane-1,3-diol","2-nitro-1-phenylpropane-1,3-diol",OCC(C(O)c1ccccc1)N(=O)=O,OCC(C(O)c1ccccc1)N(=O)=O,"InChI=1/C9H11NO4/c11-6-8(10(13)14)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2",C9H11NO4,,,,,,KAPBNJZOLYDLQK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.754,226-128-9,5290-29-9,Acetoxytriethylsilane,triethylsilyl acetate,CC[Si](CC)(CC)OC(=O)C,CC[Si](CC)(CC)OC(=O)C,"InChI=1/C8H18O2Si/c1-5-11(6-2,7-3)10-8(4)9/h5-7H2,1-4H3",C8H18O2Si,,,,,,AAURKQPZJJMXER-UHFFFAOYSA-N,,,,,,,,,,,
100.023.756,226-131-5,5291-77-0,1-benzyl-3-pyrrolidone,1-benzylpyrrolidin-3-one,O=C1CCN(Cc2ccccc2)C1,O=C1CCN(Cc2ccccc2)C1,"InChI=1/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2",C11H13NO,,,,,,DHGMDHQNUNRMIN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.763,226-138-3,5293-83-4,(hydroxymethyl)triphenylphosphonium chloride,(hydroxymethyl)(triphenyl)phosphonium chloride,[Cl-].OC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].OC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H18OP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16H2;1H/q+1;/p-1",C19H18OP.Cl,,,,,,VTXFLDLWTNQCAL-UHFFFAOYSA-M,,,,,,,,,,,
100.013.933,215-326-0,1321-75-1,Ethyl hydroxymethoxybenzoate,ethyl 2-(hydroxymethoxy)benzoate,CCOC(=O)c1ccccc1OCO,CCOC(=O)c1ccccc1OCO,"InChI=1/C10H12O4/c1-2-13-10(12)8-5-3-4-6-9(8)14-7-11/h3-6,11H,2,7H2,1H3",C10H12O4,,,,,,AUYJJTVZTXEPIK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.934,215-327-6,1321-81-9,Isopropyl-m-cresol,2-isopropyl-3-methylphenol,CC(C)c1c(C)cccc1O,CC(C)c1c(C)cccc1O,"InChI=1/C10H14O/c1-7(2)10-8(3)5-4-6-9(10)11/h4-7,11H,1-3H3",C10H14O,,,,,,AZXBHGKSTNMAMK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.936,215-329-7,1321-94-4,Methylnaphthalene,1-methylnaphthalene,Cc1cccc2ccccc12,Cc1cccc2ccccc12,"InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3",C11H10,,,,,,QPUYECUOLPXSFR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.942,215-336-5,1322-26-5,4-(methoxyphenyl)pent-3-en-2-one,4-(2-methoxyphenyl)pent-3-en-2-one,COc1ccccc1C(C)=CC(C)=O,COc1ccccc1C(C)=CC(C)=O,"InChI=1/C12H14O2/c1-9(8-10(2)13)11-6-4-5-7-12(11)14-3/h4-8H,1-3H3",C12H14O2,,,,,,HFOIGEQWKQUTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.946,215-340-7,1322-58-3,"6,10-dimethylundecen-2-one","6,10-dimethylundec-3-en-2-one",CC(C)CCCC(C)CC=CC(C)=O,CC(C)CCCC(C)CC=CC(C)=O,"InChI=1/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6,10-12H,5,7-9H2,1-4H3",C13H24O,,,,,,HOXDFZBDPOCFGM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.954,215-349-6,1323-00-8,Santalyl acetate,2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)pent-2-en-1-yl acetate,CC(=O)OCC(=CCCC1(C)C2CCC(C2)C1=C)C,CC(=O)OCC(=CCCC1(C)C2CCC(C2)C1=C)C,"InChI=1/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3",C17H26O2,,,,,,RCFGRZLLBGMERD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.955,215-350-1,1323-03-1,Tetradecyl lactate,tetradecyl 2-hydroxypropanoate,CCCCCCCCCCCCCCOC(=O)C(C)O,CCCCCCCCCCCCCCOC(=O)C(C)O,"InChI=1/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h16,18H,3-15H2,1-2H3",C17H34O3,,,,,,BORJONZPSTVSFP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.959,215-354-3,1323-39-3,"Stearic acid, monoester with propane-1,2-diol",2-hydroxypropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,"InChI=1/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3",C21H42O3,,,,,,FKOKUHFZNIUSLW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.960,215-355-9,1323-42-8,"Hydroxyoctadecanoic acid, monoester with glycerol",2-hydroxy-1-(hydroxymethyl)ethyl 2-hydroxyoctadecanoate,CCCCCCCCCCCCCCCCC(O)C(=O)OC(CO)CO,CCCCCCCCCCCCCCCCC(O)C(=O)OC(CO)CO,"InChI=1/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)26-19(17-22)18-23/h19-20,22-24H,2-18H2,1H3",C21H42O5,,,,,,YIDBZTKQBSDQDX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.963,215-359-0,1323-83-7,"Distearic acid, diester with glycerol","3-hydroxypropane-1,2-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3",C39H76O5,,,,,,UHUSDOQQWJGJQS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.430,225-772-8,5068-28-0,S-benzyl-N-[tert-butoxycarbonyl]-L-cysteine,S-benzyl-N-(tert-butoxycarbonyl)-L-cysteine,CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1)C(=O)O,"InChI=1/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)",C15H21NO4S,,,,,,IFVORPLRHYROAA-LBPRGKRZSA-N,,,,,,,,,,,
100.023.432,225-774-9,5069-82-9,6-(butylthio)-1H-purine,6-(butylsulfanyl)-1H-purine,CCCCSc1[nH]cnc2ncnc12,CCCCSc1[nH]cnc2ncnc12,"InChI=1/C9H12N4S/c1-2-3-4-14-9-7-8(11-5-10-7)12-6-13-9/h5-6H,2-4H2,1H3,(H,10,11,12,13)",C9H12N4S,,,,,,VSDRAVPZXXXJDG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.314,228-945-6,6376-56-3,"3,8-dibromofluoranthene","3,8-dibromofluoranthene",Brc1ccc2c3ccc(Br)c4cccc(c2c1)c34,Brc1ccc2c3ccc(Br)c4cccc(c2c1)c34,InChI=1/C16H8Br2/c17-9-4-5-10-12-6-7-15(18)13-3-1-2-11(16(12)13)14(10)8-9/h1-8H,C16H8Br2,,,,,,BWEMYDQPGWAUSX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.320,228-951-9,6378-52-5,Ethyl (chloroacetyl)methylcarbamate,ethyl (chloroacetyl)methylcarbamate,CCOC(=O)N(C)C(=O)CCl,CCOC(=O)N(C)C(=O)CCl,"InChI=1/C6H10ClNO3/c1-3-11-6(10)8(2)5(9)4-7/h3-4H2,1-2H3",C6H10ClNO3,,,,,,AYUMCDSXPRPYLX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.323,228-955-0,6378-88-7,"Sodium 7-phenyl-5,9-bis(phenylamino)-4,10-disulphonatobenzo[a]phenazinium","sodium 5,9-dianilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate",[Na+].[O-]S(=O)(=O)c1cc2nc3c4cccc(c4c(Nc5ccccc5)cc3[n+](c6ccccc6)c2cc1Nc7ccccc7)S(=O)(=O)[O-],[Na+].[O-]S(=O)(=O)c1cc2nc3c4cccc(c4c(Nc5ccccc5)cc3[n+](c6ccccc6)c2cc1Nc7ccccc7)S(=O)(=O)[O-],"InChI=1/C34H24N4O6S2.Na/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24;/h1-21H,(H3,35,36,39,40,41,42,43,44);/q;+1/p-1",C34H24N4O6S2.Na,,,,,,RBYJOOWYRXEJAM-UHFFFAOYSA-M,,,,,,,,,,,
100.026.331,228-963-4,6380-28-5,5-isopropyl-o-tolyl acetate,5-isopropyl-2-methylphenyl acetate,CC(C)c1ccc(C)c(OC(=O)C)c1,CC(C)c1ccc(C)c(OC(=O)C)c1,"InChI=1/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3",C12H16O2,,,,,,OXZSUQJHKQOGOK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.336,228-969-7,6380-71-8,Dodecyl 3-mercaptopropionate,dodecyl 3-sulfanylpropanoate,CCCCCCCCCCCCOC(=O)CCS,CCCCCCCCCCCCOC(=O)CCS,"InChI=1/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18/h18H,2-14H2,1H3",C15H30O2S,,,,,,ARNIBHATWCFIIK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.347,228-981-2,6383-73-9,4'-nitro-2-phthalimidoglutaranilic acid,"2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-[(4-nitrophenyl)amino]-5-oxopentanoic acid",OC(=O)C(CCC(=O)Nc1ccc(cc1)N(=O)=O)N2C(=O)c3ccccc3C2=O,OC(=O)C(CCC(=O)Nc1ccc(cc1)N(=O)=O)N2C(=O)c3ccccc3C2=O,"InChI=1/C19H15N3O7/c23-16(20-11-5-7-12(8-6-11)22(28)29)10-9-15(19(26)27)21-17(24)13-3-1-2-4-14(13)18(21)25/h1-8,15H,9-10H2,(H,20,23)(H,26,27)",C19H15N3O7,,,,,,YQMYCLQUUAANHT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.349,228-983-3,6385-02-0,"Sodium 2-[(2,6-dichloro-3-methylphenyl)amino]benzoate","sodium 2-[(2,6-dichloro-3-methylphenyl)amino]benzoate",[Na+].Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl,[Na+].Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl,"InChI=1/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1",C14H11Cl2NO2.Na,,,,,,OGPIIGMUPMPMNT-UHFFFAOYSA-M,,,,,,,,,,,
100.029.932,232-938-3,9050-18-4,"Butanedioic acid, ester with 2,2'-oxybis[ethanol]",4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoic acid,OCCOCCOC(=O)CCC(=O)O,OCCOCCOC(=O)CCC(=O)O,"InChI=1/C8H14O6/c9-3-4-13-5-6-14-8(12)2-1-7(10)11/h9H,1-6H2,(H,10,11)",-,,,,,,SJIWUNNSRFWATG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.975,228-571-3,6297-53-6,Ethyl DL-methionate hydrochloride,ethyl L-methioninate hydrochloride,Cl.CCOC(=O)[C@@H](N)CCSC,Cl.CCOC(=O)[C@@H](N)CCSC,"InChI=1/C7H15NO2S.ClH/c1-3-10-7(9)6(8)4-5-11-2;/h6H,3-5,8H2,1-2H3;1H",C7H15NO2S.ClH,,,,,,KPWCQEUBJAIORR-RGMNGODLSA-N,,,,,,,,,,,
100.025.977,228-573-4,6298-46-0,"N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3,4-diethoxyphenyl)acetamide","2-(3,4-diethoxyphenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide",CCOc1ccc(CCNC(=O)Cc2ccc(OCC)c(OCC)c2)cc1OCC,CCOc1ccc(CCNC(=O)Cc2ccc(OCC)c(OCC)c2)cc1OCC,"InChI=1/C24H33NO5/c1-5-27-20-11-9-18(15-22(20)29-7-3)13-14-25-24(26)17-19-10-12-21(28-6-2)23(16-19)30-8-4/h9-12,15-16H,5-8,13-14,17H2,1-4H3,(H,25,26)",C24H33NO5,,,,,,WXWBNUBJVJKZAS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.981,228-578-1,6299-37-2,"1,3,5-tris(2-chloroethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris(2-chloroethyl)-1,3,5-triazinane-2,4,6-trione",ClCCN1C(=O)N(CCCl)C(=O)N(CCCl)C1=O,ClCCN1C(=O)N(CCCl)C(=O)N(CCCl)C1=O,InChI=1/C9H12Cl3N3O3/c10-1-4-13-7(16)14(5-2-11)9(18)15(6-3-12)8(13)17/h1-6H2,C9H12Cl3N3O3,,,,,,XVNBMCIQCILWHP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.983,228-580-2,6299-73-6,Triallyl citrate,triallyl citrate,OC(CC(=O)OCC=C)(CC(=O)OCC=C)C(=O)OCC=C,OC(CC(=O)OCC=C)(CC(=O)OCC=C)C(=O)OCC=C,"InChI=1/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2",C15H20O7,,,,,,PLCFYBDYBCOLSP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.987,228-584-4,6300-24-9,Sodium 7-amino-4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate,sodium 7-amino-4-hydroxy-3-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c3cc1cc(N)ccc1c(O)c3N=Nc2ccccc2,[Na+].[O-]S(=O)(=O)c3cc1cc(N)ccc1c(O)c3N=Nc2ccccc2,"InChI=1/C16H13N3O4S.Na/c17-11-6-7-13-10(8-11)9-14(24(21,22)23)15(16(13)20)19-18-12-4-2-1-3-5-12;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1",C16H13N3O4S.Na,,,,,,UKQPYKBHTGBUBC-UHFFFAOYSA-M,,,,,,,,,,,
100.025.989,228-587-0,6300-37-4,4-[[p-(phenylazo)phenyl]azo]-o-cresol,2-methyl-4-{[4-(phenyldiazenyl)phenyl]diazenyl}phenol,Cc3cc(N=Nc2ccc(N=Nc1ccccc1)cc2)ccc3O,Cc3cc(N=Nc2ccc(N=Nc1ccccc1)cc2)ccc3O,"InChI=1/C19H16N4O/c1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3",C19H16N4O,,,,,,VGKYEIFFSOPYEW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.971,230-768-4,7310-95-4,2-hydroxy-5-methylisophthalaldehyde,2-hydroxy-5-methylisophthalaldehyde,Cc1cc(C=O)c(O)c(C=O)c1,Cc1cc(C=O)c(O)c(C=O)c1,"InChI=1/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3",C9H8O3,,,,,,ZBOUXALQDLLARY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.981,230-779-4,7316-55-4,Bis(2-chloro-1-methylethyl) (2-chloro-1-methylethyl)phosphonate,bis(2-chloro-1-methylethyl) (2-chloro-1-methylethyl)phosphonate,CC(CCl)OP(=O)(OC(C)CCl)C(C)CCl,CC(CCl)OP(=O)(OC(C)CCl)C(C)CCl,"InChI=1/C9H18Cl3O3P/c1-7(4-10)14-16(13,9(3)6-12)15-8(2)5-11/h7-9H,4-6H2,1-3H3",C9H18Cl3O3P,,,,,,AOTIRVBHFRETEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.985,230-784-1,7319-86-0,Lead(2+) octanoate,octanoic acid,CCCCCCCC(=O)O,CCCCCCCC(=O)O,"InChI=1/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",C8H16O2.1/2Pb,,,,,,WWZKQHOCKIZLMA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.986,230-785-7,7320-34-5,Tetrapotassium pyrophosphate,tetrapotassium diphosphate,[K+].[K+].[K+].[K+].[O-]P(=O)([O-])OP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/4K.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",H4O7P2.4K,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14700,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.986,RYCLIXPGLDDLTM-UHFFFAOYSA-J,,,,,,,,,,,
100.027.994,230-794-6,7321-53-1,Iron tris(2-ethylhexanoate),iron(3+) tris(2-ethylhexanoate),[Fe+3].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O,[Fe+3].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O,"InChI=1/3C8H16O2.Fe/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Fe,,,,,,ULUYRVWYCIOFRV-UHFFFAOYSA-K,,,,,,,,,,,
100.027.999,230-799-3,7324-87-0,"Diethyl (2,5-dimethoxybenzylidene)malonate","diethyl (2,5-dimethoxybenzylidene)malonate",CCOC(=O)C(=Cc1cc(OC)ccc1OC)C(=O)OCC,CCOC(=O)C(=Cc1cc(OC)ccc1OC)C(=O)OCC,"InChI=1/C16H20O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-10H,5-6H2,1-4H3",C16H20O6,,,,,,SDKURJSMAYMSOF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.954,226-350-6,5363-64-4,1-(vinyloxy)hexane,1-(vinyloxy)hexane,CCCCCCOC=C,CCCCCCOC=C,"InChI=1/C8H16O/c1-3-5-6-7-8-9-4-2/h4H,2-3,5-8H2,1H3",C8H16O,,,,,,YAOJJEJGPZRYJF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.956,226-352-7,5363-70-2,2-methyl-5-methyleneadipic acid,2-methyl-5-methylenehexanedioic acid,CC(CCC(=C)C(=O)O)C(=O)O,CC(CCC(=C)C(=O)O)C(=O)O,"InChI=1/C8H12O4/c1-5(7(9)10)3-4-6(2)8(11)12/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12)",C8H12O4,,,,,,BMQHCCUIUKBSNF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.958,226-354-8,5367-26-0,3-chloro-2-nitrotoluene,1-chloro-3-methyl-2-nitrobenzene,Cc1cccc(Cl)c1[N+](=O)[O-],Cc1cccc(Cl)c1[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3",C7H6ClNO2,,,,,,JLDKNVUJLUGIBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.960,226-356-9,5367-32-8,3-methyl-4-nitroanisole,4-methoxy-2-methyl-1-nitrobenzene,COc1ccc(c(C)c1)[N+](=O)[O-],COc1ccc(c(C)c1)[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3",C8H9NO3,,,,,,RTZOGYCMIMOVHU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.963,226-360-0,5369-17-5,m-butylaniline,3-butylaniline,CCCCc1cccc(N)c1,CCCCc1cccc(N)c1,"InChI=1/C10H15N/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8H,2-3,5,11H2,1H3",C10H15N,,,,,,WMIQWIJPGVVMII-UHFFFAOYSA-N,,,,,,,,,,,
100.023.976,226-374-7,5382-17-2,4-hydroxypiperidinium chloride,4-hydroxypiperidinium chloride,[Cl-].OC1CC[NH2+]CC1,[Cl-].OC1CC[NH2+]CC1,"InChI=1/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H",C5H11NO.ClH,,,,,,VKCORPXOKYDINR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.978,226-376-8,5382-38-7,2-cyano-N-(4-methoxyphenyl)acetamide,2-cyano-N-(4-methoxyphenyl)acetamide,COc1ccc(NC(=O)CC#N)cc1,COc1ccc(NC(=O)CC#N)cc1,"InChI=1/C10H10N2O2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)",C10H10N2O2,,,,,,VFDUTASVNHKUJM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.982,226-381-5,5388-62-5,"4-chloro-2,6-dinitroaniline","4-chloro-2,6-dinitroaniline",Nc1c(cc(Cl)cc1[N+](=O)[O-])[N+](=O)[O-],Nc1c(cc(Cl)cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2",C6H4ClN3O4,,,,,,CLMQUEQFVUMDPC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.983,226-382-0,5388-82-9,[2-(2-chlorophenoxy)ethyl]cyclopropylammonium chloride,N-[2-(2-chlorophenoxy)ethyl]cyclopropanaminium chloride,[Cl-].Clc1ccccc1OCC[NH2+]C2CC2,[Cl-].Clc1ccccc1OCC[NH2+]C2CC2,"InChI=1/C11H14ClNO.ClH/c12-10-3-1-2-4-11(10)14-8-7-13-9-5-6-9;/h1-4,9,13H,5-8H2;1H",C11H14ClNO.ClH,,,,,,IYBNXXLIJPVZSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.988,226-387-8,5391-18-4,Butyl ß-D-glucopyranoside,butyl beta-D-glucopyranoside,CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3",C10H20O6,,,,,,BZANQLIRVMZFOS-HOTMZDKISA-N,,,,,,,,,,,
100.023.994,226-394-6,5392-40-5,Citral,"3,7-dimethylocta-2,6-dienal",CC(=CCC\\C(=C\\C=O)\\C)C,CC(=CCC\C(=C\C=O)\C)C,"InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",C10H16O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13515,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.994,WTEVQBCEXWBHNA-JXMROGBWSA-N,,,,,,,,,,,
100.025.625,228-187-6,6161-50-8,"3,3'-dimethoxy-1,1'-biphenyl","3,3'-dimethoxybiphenyl",COc1cccc(c1)c2cccc(OC)c2,COc1cccc(c1)c2cccc(OC)c2,"InChI=1/C14H14O2/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2/h3-10H,1-2H3",C14H14O2,,,,,,UCHNVSDXSPIKRG-UHFFFAOYSA-N,,,,,,,,,,,
100.029.998,233-011-6,10017-59-1,"9,10-dihydro-9,10-dioxoanthracene-2,7-disulphonic acid, sodium salt","sodium 9,10-dioxo-7-sulfo-9,10-dihydroanthracene-2-sulfonate",OS(=O)(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)S(=O)(=O)O[Na],OS(=O)(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)S(=O)(=O)O[Na],"InChI=1/C14H8O8S2.Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13;/h1-6H,(H,17,18,19)(H,20,21,22);/q;+1/p-1/rC14H7NaO8S2/c15-23-25(21,22)8-2-4-10-12(6-8)14(17)11-5-7(24(18,19)20)1-3-9(11)13(10)16/h1-6H,(H,18,19,20)",C14H8O8S2.xNa,,,,,,NRPIKZANENIUOM-UHFFFAOYSA-M,,,,,,,,,,,
100.024.002,226-402-8,5394-36-5,"5-ethyl-5-methylimidazolidine-2,4-dione","5-ethyl-5-methylimidazolidine-2,4-dione",CCC1(C)NC(=O)NC1=O,CCC1(C)NC(=O)NC1=O,"InChI=1/C6H10N2O2/c1-3-6(2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10)",C6H10N2O2,,,,,,VSJRBQDMBFFHMC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.003,226-403-3,5394-63-8,"2,2,6-trimethyl-4H-1,3-dioxin-4-one","2,2,6-trimethyl-4H-1,3-dioxin-4-one",CC1=CC(=O)OC(C)(C)O1,CC1=CC(=O)OC(C)(C)O1,"InChI=1/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3",C7H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16365,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.003,XFRBXZCBOYNMJP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.006,226-407-5,5395-04-0,Bis(pentamethylene)urea,"1,1'-carbonyldipiperidine",O=C(N1CCCCC1)N2CCCCC2,O=C(N1CCCCC1)N2CCCCC2,InChI=1/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2,C11H20N2O,,,,,,SNOJOKOVTYPHMC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.012,226-413-8,5396-50-9,2-(tert-butylthio)ethanol,2-(tert-butylsulfanyl)ethanol,CC(C)(C)SCCO,CC(C)(C)SCCO,"InChI=1/C6H14OS/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3",C6H14OS,,,,,,INULQKSPBVGHOU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.014,226-415-9,5396-71-4,Ethyl 3-nitrocinnamate,ethyl 3-(3-nitrophenyl)acrylate,CCOC(=O)\\C=C\\c1cccc(c1)[N+](=O)[O-],CCOC(=O)\C=C\c1cccc(c1)[N+](=O)[O-],"InChI=1/C11H11NO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8H,2H2,1H3",C11H11NO4,,,,,,QZEPRSLOWNHADS-VOTSOKGWSA-N,,,,,,,,,,,
100.024.018,226-420-6,5397-31-9,3-(2-ethylhexyloxy)propylamine,3-[(2-ethylhexyl)oxy]propan-1-amine,CCCCC(CC)COCCCN,CCCCC(CC)COCCCN,"InChI=1/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3",C11H25NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7149,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.018,DVFGEIYOLIFSRX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.029,226-432-1,5399-02-0,Heptadecanenitrile,heptadecanenitrile,CCCCCCCCCCCCCCCCC#N,CCCCCCCCCCCCCCCCC#N,"InChI=1/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3",C17H33N,,,,,,ZXPWFWWSCFIFII-UHFFFAOYSA-N,,,,,,,,,,,
100.014.385,215-823-2,1421-49-4,"3,5-bis-tert-butyl-4-hydroxybenzoic acid","3,5-di-tert-butyl-4-hydroxybenzoic acid",CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)O,CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)O,"InChI=1/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)",C15H22O3,,,,,,YEXOWHQZWLCHHD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.386,215-824-8,1421-63-2,"2',4',5'-trihydroxybutyrophenone","1-(2,4,5-trihydroxyphenyl)butan-1-one",CCCC(=O)c1cc(O)c(O)cc1O,CCCC(=O)c1cc(O)c(O)cc1O,"InChI=1/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3",C10H12O4,,,,,,SRUQARLMFOLRDN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.387,215-825-3,1421-69-8,N-[N-[(phenylmethoxy)carbonyl]glycyl]-L-leucine,N-[(benzyloxy)carbonyl]glycyl-L-leucine,CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O,CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C16H22N2O5/c1-11(2)8-13(15(20)21)18-14(19)9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)",C16H22N2O5,,,,,,MRRLFGAIRAUOCS-ZDUSSCGKSA-N,,,,,,,,,,,
100.014.392,215-831-6,1423-10-5,Fluoro(2H5)benzene,fluorobenzene,Fc1ccccc1,Fc1ccccc1,InChI=1/C6H5F/c7-6-4-2-1-3-5-6/h1-5H,C6D5F,,,,,,PYLWMHQQBFSUBP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.396,215-835-8,1423-97-8,"Estra-1,3,5,7,9-pentaene-3,17ß-diol","estra-1,3,5,7,9-pentaene-3,17-diol",C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,"InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3",C18H20O2,,,,,,RYWZPRVUQHMJFF-BZSNNMDCSA-N,,,,,,,,,,,
100.014.398,215-837-9,1424-14-2,"1,3-dibenzyl-2-thiourea","1,3-dibenzylthiourea",S=C(NCc1ccccc1)NCc2ccccc2,S=C(NCc1ccccc1)NCc2ccccc2,"InChI=1/C15H16N2S/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)",C15H16N2S,,,,,,LQZPSWMMTICWHD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.400,215-840-5,1424-66-4,2-chloro-4-dimethylaminobenzaldehyde,2-chloro-4-(dimethylamino)benzaldehyde,CN(C)c1ccc(C=O)c(Cl)c1,CN(C)c1ccc(C=O)c(Cl)c1,"InChI=1/C9H10ClNO/c1-11(2)8-4-3-7(6-12)9(10)5-8/h3-6H,1-2H3",C9H10ClNO,,,,,,XSQFAWMDRFSIMY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.401,215-841-0,1424-79-9,"1,2,4-trichloro-3-(chloromethyl)benzene","1,2,4-trichloro-3-(chloromethyl)benzene",ClCc1c(Cl)ccc(Cl)c1Cl,ClCc1c(Cl)ccc(Cl)c1Cl,"InChI=1/C7H4Cl4/c8-3-4-5(9)1-2-6(10)7(4)11/h1-2H,3H2",C7H4Cl4,,,,,,HOLOJLLLDKVVJY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.402,215-842-6,1425-10-1,17ß-hydroxyestr-4-en-3-one 17-acetate,3-oxoestr-4-en-17-yl acetate,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3",C20H28O3,,,,,,TTWYUPSVWLOIRF-XGXHKTLJSA-N,,,,,,,,,,,
100.014.405,215-845-2,1427-07-2,2-fluoro-4-nitrotoluene,2-fluoro-1-methyl-4-nitrobenzene,Cc1ccc(cc1F)[N+](=O)[O-],Cc1ccc(cc1F)[N+](=O)[O-],"InChI=1/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3",C7H6FNO2,,,,,,WIQISTBTOQNVCE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.437,225-780-1,5074-71-5,Bis(pentafluorophenyl) phenyl phosphite,bis(pentafluorophenyl) phenyl phosphite,Fc1c(F)c(F)c(OP(Oc2ccccc2)Oc3c(F)c(F)c(F)c(F)c3F)c(F)c1F,Fc1c(F)c(F)c(OP(Oc2ccccc2)Oc3c(F)c(F)c(F)c(F)c3F)c(F)c1F,InChI=1/C18H5F10O3P/c19-7-9(21)13(25)17(14(26)10(7)22)30-32(29-6-4-2-1-3-5-6)31-18-15(27)11(23)8(20)12(24)16(18)28/h1-5H,C18H5F10P,,,,,,NIXDKPKOZYHAIG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.443,225-786-4,5076-72-2,p-methoxyphenetole,1-ethoxy-4-methoxybenzene,CCOc1ccc(OC)cc1,CCOc1ccc(OC)cc1,"InChI=1/C9H12O2/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7H,3H2,1-2H3",C9H12O2,,,,,,FTFNFGIOGXKJSP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.445,225-789-0,5077-57-6,6-hydroxy-6-methylheptan-2-one,6-hydroxy-6-methylheptan-2-one,CC(=O)CCCC(C)(C)O,CC(=O)CCCC(C)(C)O,"InChI=1/C8H16O2/c1-7(9)5-4-6-8(2,3)10/h10H,4-6H2,1-3H3",C8H16O2,,,,,,BDKJAPPUGXLAHC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.446,225-790-6,5077-67-8,1-hydroxybutan-2-one,1-hydroxybutan-2-one,CCC(=O)CO,CCC(=O)CO,"InChI=1/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3",C4H8O2,,,,,,GFAZHVHNLUBROE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.452,225-796-9,8/12/5084,"N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]naphthalene-2-carboxamide","N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-2-naphthamide",CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Sc3nnnn3c4ccccc4)c5ccccc5c2O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Sc3nnnn3c4ccccc4)c5ccccc5c2O)c(c1)C(C)(C)CC,"InChI=1/C38H45N5O3S/c1-7-37(3,4)26-20-21-32(31(24-26)38(5,6)8-2)46-23-15-14-22-39-35(45)30-25-33(28-18-12-13-19-29(28)34(30)44)47-36-40-41-42-43(36)27-16-10-9-11-17-27/h9-13,16-21,24-25,44H,7-8,14-15,22-23H2,1-6H3,(H,39,45)",C38H45N5O3S,,,,,,CFRUNFQXALDGBM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.453,225-797-4,5084-13-9,1-hydroxy-4-(1-phenyl-1H-tetrazol-5-ylthio)-2'-tetradecyloxy-2-naphthanilide,1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-[2-(tetradecyloxy)phenyl]-2-naphthamide,CCCCCCCCCCCCCCOc1ccccc1NC(=O)c2cc(Sc3nnnn3c4ccccc4)c5ccccc5c2O,CCCCCCCCCCCCCCOc1ccccc1NC(=O)c2cc(Sc3nnnn3c4ccccc4)c5ccccc5c2O,"InChI=1/C38H45N5O3S/c1-2-3-4-5-6-7-8-9-10-11-12-20-27-46-34-26-19-18-25-33(34)39-37(45)32-28-35(30-23-16-17-24-31(30)36(32)44)47-38-40-41-42-43(38)29-21-14-13-15-22-29/h13-19,21-26,28,44H,2-12,20,27H2,1H3,(H,39,45)",C38H45N5O3S,,,,,,RQJVRTHWJHBYOM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.456,225-801-4,5089-20-3,"4,4'-carbonimidoylbis[N,N-dimethylaniline] acetate","4,4'-carbonimidoylbis(N,N-dimethylaniline) acetate",CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C.CC(=O)O,CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C.CC(=O)O,"InChI=1/C17H21N3.C2H4O2/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;1-2(3)4/h5-12,18H,1-4H3;1H3,(H,3,4)",C17H21N3.C2H4O2,,,,,,IUBRQGNYFJWZCB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.458,225-804-0,5089-28-1,"Octane-1,8-diylbis[chlorodimethylsilane]","octane-1,8-diylbis[chloro(dimethyl)silane]",C[Si](C)(Cl)CCCCCCCC[Si](C)(C)Cl,C[Si](C)(Cl)CCCCCCCC[Si](C)(C)Cl,"InChI=1/C12H28Cl2Si2/c1-15(2,13)11-9-7-5-6-8-10-12-16(3,4)14/h5-12H2,1-4H3",C12H28Cl2Si2,,,,,,QRGNIFCMKCRMQY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.463,225-809-8,5090-31-3,a-[(methylamino)methyl]vanillyl alcohol hydrochloride,4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol hydrochloride,Cl.CNCC(O)c1ccc(O)c(OC)c1,Cl.CNCC(O)c1ccc(O)c(OC)c1,"InChI=1/C10H15NO3.ClH/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;/h3-5,9,11-13H,6H2,1-2H3;1H",C10H15NO3.ClH,,,,,,HRIQFVCFOPJYEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.469,225-816-6,3/11/5098,5-amino-1H-imidazole-4-carbonitrile,4-amino-1H-imidazole-5-carbonitrile,Nc1nc[nH]c1C#N,Nc1nc[nH]c1C#N,"InChI=1/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)",C4H4N4,,,,,,XEPBRDBFOSKYCF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.472,225-819-2,9/06/5099,5'-chloro-2'-hydroxy-4'-nitrobenzanilide,N-(5-chloro-2-hydroxy-4-nitrophenyl)benzamide,Oc1cc(c(Cl)cc1NC(=O)c2ccccc2)[N+](=O)[O-],Oc1cc(c(Cl)cc1NC(=O)c2ccccc2)[N+](=O)[O-],"InChI=1/C13H9ClN2O4/c14-9-6-10(12(17)7-11(9)16(19)20)15-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,15,18)",C13H9ClN2O4,,,,,,WVYLJZGKLNZWTE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.476,225-823-4,5103-42-4,"2,2'-dihydroxy-2,2'-biindan-1,1',3,3'-tetraone","2,2'-dihydroxy-1H,1'H-2,2'-biindene-1,1',3,3'(2H,2'H)-tetrone",OC1(C(=O)c2ccccc2C1=O)C3(O)C(=O)c4ccccc4C3=O,OC1(C(=O)c2ccccc2C1=O)C3(O)C(=O)c4ccccc4C3=O,"InChI=1/C18H10O6/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22/h1-8,23-24H",C18H10O6,,,,,,LWFPYLZOVOCBPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.140,214-453-9,1129-67-5,Cyclohexylpropyl formate,1-cyclohexylpropyl formate,CCC(OC=O)C1CCCCC1,CCC(OC=O)C1CCCCC1,"InChI=1/C10H18O2/c1-2-10(12-8-11)9-6-4-3-5-7-9/h8-10H,2-7H2,1H3",C10H18O2,,,,,,KKISKZFTHLCUPE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.144,214-458-6,1130-23-0,Cyclobutyrol sodium,sodium 2-(1-hydroxycyclohexyl)butanoate,[Na+].CCC(C(=O)[O-])C1(O)CCCCC1,[Na+].CCC(C(=O)[O-])C1(O)CCCCC1,"InChI=1/C10H18O3.Na/c1-2-8(9(11)12)10(13)6-4-3-5-7-10;/h8,13H,2-7H2,1H3,(H,11,12);/q;+1/p-1",C10H18O3.Na,,,,,,ZIKJCAPMXXTMDD-UHFFFAOYSA-M,,,,,,,,,,,
100.013.153,214-468-0,1131-62-0,"1-(3,4-dimethoxyphenyl)ethan-1-one","1-(3,4-dimethoxyphenyl)ethanone",COc1ccc(cc1OC)C(=O)C,COc1ccc(cc1OC)C(=O)C,"InChI=1/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3",C10H12O3,,,,,,IQZLUWLMQNGTIW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.992,228-590-7,6300-61-4,"Sodium p-[(4,6-diamino-m-tolyl)azo]benzenesulphonate","sodium 4-[(2,4-diamino-5-methylphenyl)diazenyl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1N)cc2,[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1N)cc2,"InChI=1/C13H14N4O3S.Na/c1-8-6-13(12(15)7-11(8)14)17-16-9-2-4-10(5-3-9)21(18,19)20;/h2-7H,14-15H2,1H3,(H,18,19,20);/q;+1/p-1",C13H14N4O3S.Na,,,,,,XBXOIRJUKYNIOE-UHFFFAOYSA-M,,,,,,,,,,,
100.025.996,228-594-9,6301-60-6,4-iodophthalic acid,4-iodophthalic acid,OC(=O)c1ccc(I)cc1C(=O)O,OC(=O)c1ccc(I)cc1C(=O)O,"InChI=1/C8H5IO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5IO4,,,,,,NVBFLFQAJXJZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.626,230-388-9,7085-45-2,"Lactic acid, compound with a-bicyclo[2.2.1]hept-5-en-2-yl-a-phenylpiperidin-1-propanol (1:1)",2-hydroxypropanoic acid - 1-bicyclo[2.2.1]hept-5-en-2-yl-1-phenyl-3-piperidin-1-ylpropan-1-ol (1:1),CC(O)C(=O)O.OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,CC(O)C(=O)O.OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,"InChI=1/C21H29NO.C3H6O3/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;1-2(4)3(5)6/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;2,4H,1H3,(H,5,6)",C21H29NO.C3H6O3,,,,,,GLPUBCPQWZZFNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.629,230-392-0,7087-68-5,Ethyldiisopropylamine,N-ethyl-N-isopropylpropan-2-amine,CCN(C(C)C)C(C)C,CCN(C(C)C)C(C)C,"InChI=1/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3",C8H19N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13609,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.629,JGFZNNIVVJXRND-UHFFFAOYSA-N,,,,,,,,,,,
100.027.631,230-394-1,6/05/7091,"9ß,11ß-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione","17,21-dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)C=C[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)C=C[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H26O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h5,7,9,14-15,17,22,25H,3-4,6,8,10-11H2,1-2H3",C21H26O5,,,,,,WQMGIEOKPKMWEY-FEUSSREZSA-N,,,,,,,,,,,
100.027.634,230-397-8,7093-41-6,"3,9-diethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane","3,9-diethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CCOP1OCC2(COP(OCC)OC2)CO1,CCOP1OCC2(COP(OCC)OC2)CO1,"InChI=1/C9H18O6P2/c1-3-10-16-12-5-9(6-13-16)7-14-17(11-4-2)15-8-9/h3-8H2,1-2H3",C9H18O6P2,,,,,,JFKBOXCLIYTENC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.473,233-535-5,10220-53-8,2-(dodecylthio)acetamide,2-(dodecylsulfanyl)acetamide,CCCCCCCCCCCCSCC(=O)N,CCCCCCCCCCCCSCC(=O)N,"InChI=1/C14H29NOS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H2,15,16)",C14H29NOS,,,,,,FZFDAJRZDGMCLE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.476,233-538-1,10220-90-3,"N,N'-(iminodiethane-1,2-diyl)distearamide","N,N'-(iminodiethane-2,1-diyl)dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H81N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-38H2,1-2H3,(H,42,44)(H,43,45)",C40H81N3O2,,,,,,XFRHMVNVCKLHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.478,233-540-2,10222-95-4,"5-isopropyl-1,2,4-trimethylbenzene","1-isopropyl-2,4,5-trimethylbenzene",CC(C)c1cc(C)c(C)cc1C,CC(C)c1cc(C)c(C)cc1C,"InChI=1/C12H18/c1-8(2)12-7-10(4)9(3)6-11(12)5/h6-8H,1-5H3",C12H18,,,,,,POOXAYBPGIHSME-UHFFFAOYSA-N,,,,,,,,,,,
100.030.479,233-541-8,10225-01-1,"1,4-butanediyl bis(dimethyldithiocarbamate)","butane-1,4-diyl bis[dimethyl(dithiocarbamate)]",CN(C)C(=S)SCCCCSC(=S)N(C)C,CN(C)C(=S)SCCCCSC(=S)N(C)C,"InChI=1/C10H20N2S4/c1-11(2)9(13)15-7-5-6-8-16-10(14)12(3)4/h5-8H2,1-4H3",C10H20N2S4,,,,,,NLILEBBDWYPPKA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.484,233-547-0,10226-54-7,Lomifylline,"1,3-dimethyl-7-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCCCC(=O)C)c2C1=O,CN1C(=O)N(C)c2ncn(CCCCC(=O)C)c2C1=O,"InChI=1/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3",C13H18N4O3,,,,,,XBEDAMVJWVPVDS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.485,233-548-6,10228-01-0,"5,12-dihydro-2-methylquino[2,3-b]acridine-7,14-dione","2-methyl-5,12-dihydroquino[2,3-b]acridine-7,14-dione",Cc1ccc2Nc3cc4C(=O)c5ccccc5Nc4cc3C(=O)c2c1,Cc1ccc2Nc3cc4C(=O)c5ccccc5Nc4cc3C(=O)c2c1,"InChI=1/C21H14N2O2/c1-11-6-7-17-13(8-11)21(25)15-10-18-14(9-19(15)23-17)20(24)12-4-2-3-5-16(12)22-18/h2-10H,1H3,(H,22,24)(H,23,25)",C21H14N2O2,,,,,,MHNYFZUKHPYYCS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.488,233-551-2,10230-61-2,"1,2,4,5-tetramethylbenzene-a,a'-dithiol","(4,5-dimethyl-1,2-phenylene)dimethanethiol",Cc1cc(CS)c(CS)cc1C,Cc1cc(CS)c(CS)cc1C,"InChI=1/C10H14S2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3",C10H14S2,,,,,,NNGQXIUDFKIVKI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.495,233-559-6,10233-03-1,Magnesium hypochlorite,magnesium dihypochlorite,[Mg+2].[O-]Cl.[O-]Cl,[Mg+2].[O-]Cl.[O-]Cl,InChI=1/2ClO.Mg/c2*1-2;/q2*-1;+2,ClHO.1/2Mg,,,,,,YZQBYALVHAANGI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.498,233-562-2,10233-24-6,2-[2-(2-hydroxyethoxy)ethoxy]ethyl stearate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO,"InChI=1/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-22-28-21-20-27-19-18-25/h25H,2-23H2,1H3",C24H48O5,,,,,,QKSBICQDOPKLQM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.253,233-293-0,10108-25-5,2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl oleate,2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCOCCOCCOCCO,CCCCCCCC\C=C/CCCCCCCC(=O)OCCOCCOCCOCCO,"InChI=1/C26H50O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)32-25-24-31-23-22-30-21-20-29-19-18-27/h9-10,27H,2-8,11-25H2,1H3",C26H50O6,,,,,,YFBRYDITTBYWAL-KTKRTIGZSA-N,,,,,,,,,,,
100.030.254,233-294-6,10108-56-2,N-butylcyclohexylamine,N-butylcyclohexanamine,CCCCNC1CCCCC1,CCCCNC1CCCCC1,"InChI=1/C10H21N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3",C10H21N,,,,,,VXXLEXCQCSPKFI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.258,233-298-8,10108-80-2,"Propane-1,2-diyl dipropionate","propane-1,2-diyl dipropanoate",CCC(=O)OCC(C)OC(=O)CC,CCC(=O)OCC(C)OC(=O)CC,"InChI=1/C9H16O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7H,4-6H2,1-3H3",C9H16O4,,,,,,KFNABOVSAPCOCY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.262,233-302-8,10109-95-2,"2,5-dianilinoterephthalic acid","2,5-dianilinoterephthalic acid",OC(=O)c1cc(Nc2ccccc2)c(cc1Nc3ccccc3)C(=O)O,OC(=O)c1cc(Nc2ccccc2)c(cc1Nc3ccccc3)C(=O)O,"InChI=1/C20H16N2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12,21-22H,(H,23,24)(H,25,26)",C20H16N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12394,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.262,ZJQZWNLKRBUEKX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.263,233-303-3,10110-15-3,"Butyl 4,11-diamino-1,3,5,10-tetrahydro-2H-naphth[2,3-f]isoindole-2-propionate","butyl 3-(4,11-diamino-1,3,5,10-tetrahydro-2H-naphtho[2,3-f]isoindol-2-yl)propanoate",CCCCOC(=O)CCN1Cc2c(N)c3Cc4ccccc4Cc3c(N)c2C1,CCCCOC(=O)CCN1Cc2c(N)c3Cc4ccccc4Cc3c(N)c2C1,"InChI=1/C23H29N3O2/c1-2-3-10-28-21(27)8-9-26-13-19-20(14-26)23(25)18-12-16-7-5-4-6-15(16)11-17(18)22(19)24/h4-7H,2-3,8-14,24-25H2,1H3",C23H21N3O6,,,,,,ORXYTOSWUNEFNK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.267,233-308-0,10113-34-5,Diacetoxydibenzylstannane,diacetoxy(dibenzyl)stannane,CC(=O)O[Sn](Cc1ccccc1)(Cc2ccccc2)OC(=O)C,CC(=O)O[Sn](Cc1ccccc1)(Cc2ccccc2)OC(=O)C,"InChI=1/2C7H7.2C2H4O2.Sn/c2*1-7-5-3-2-4-6-7;2*1-2(3)4;/h2*2-6H,1H2;2*1H3,(H,3,4);/q;;;;+2/p-2/rC18H20O4Sn/c1-15(19)21-23(22-16(2)20,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3",C18H20O4Sn,,,,,,DSNVDMXSHOQBIH-UHFFFAOYSA-L,,,,,,,,,,,
100.030.269,233-310-1,10114-46-2,4-hydroxy-1-methyl-3-[(4-nitrophenyl)azo]-2-quinolone,4-hydroxy-1-methyl-3-[(4-nitrophenyl)diazenyl]quinolin-2(1H)-one,[O-][N+](=O)c1ccc(cc1)N=N\\C3=C(/O)c2ccccc2N(C)C3=O,[O-][N+](=O)c1ccc(cc1)N=N\C3=C(/O)c2ccccc2N(C)C3=O,"InChI=1/C16H12N4O4/c1-19-13-5-3-2-4-12(13)15(21)14(16(19)22)18-17-10-6-8-11(9-7-10)20(23)24/h2-9,21H,1H3",C16H12N4O4,,,,,,LIXFTPSDEROCQY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.270,233-311-7,10114-47-3,"Disodium 2,2'-(azodi-p-phenylene)bis[6-methylbenzothiazole-7-sulphonate]","disodium 2,2'-(diazene-1,2-diyldi-4,1-phenylene)bis(6-methyl-1,3-benzothiazole-7-sulfonate)",Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc(cc3)N=Nc4ccc(cc4)c5nc6ccc(C)c(c6s5)S(=O)(=O)O[Na],Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc(cc3)N=Nc4ccc(cc4)c5nc6ccc(C)c(c6s5)S(=O)(=O)O[Na],"InChI=1/C28H20N4O6S4.2Na/c1-15-3-13-21-23(25(15)41(33,34)35)39-27(29-21)17-5-9-19(10-6-17)31-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)40-28)42(36,37)38;;/h3-14H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/rC28H18N4Na2O6S4/c1-15-3-13-21-23(25(15)43(35,36)39-33)41-27(29-21)17-5-9-19(10-6-17)31-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)42-28)44(37,38)40-34/h3-14H,1-2H3",C28H20N4O6S4.2Na,,,,,,GRUAQEWEHJNSDG-UHFFFAOYSA-L,,,,,,,,,,,
100.030.271,233-312-2,10114-48-4,4-hydroxy-1-methyl-3-[(2-nitrophenyl)azo]-2-quinolone,4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2(1H)-one,[O-][N+](=O)c3ccccc3N=N\\C2=C(/O)c1ccccc1N(C)C2=O,[O-][N+](=O)c3ccccc3N=N\C2=C(/O)c1ccccc1N(C)C2=O,"InChI=1/C16H12N4O4/c1-19-12-8-4-2-6-10(12)15(21)14(16(19)22)18-17-11-7-3-5-9-13(11)20(23)24/h2-9,21H,1H3",C16H12N4O4,,,,,,BUJQHRIAICVCEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.276,233-318-5,10115-25-0,"Sodium 4-[[4-[(2,4-diaminophenyl)azo]naphthyl]azo]naphthalene-1-sulphonate","sodium 4-({4-[(2,4-diaminophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)c5ccc(N=Nc3ccc(N=Nc1ccc(N)cc1N)c2ccccc23)c4ccccc45,[Na+].[O-]S(=O)(=O)c5ccc(N=Nc3ccc(N=Nc1ccc(N)cc1N)c2ccccc23)c4ccccc45,"InChI=1/C26H20N6O3S.Na/c27-16-9-10-25(21(28)15-16)32-31-23-12-11-22(17-5-1-2-6-18(17)23)29-30-24-13-14-26(36(33,34)35)20-8-4-3-7-19(20)24;/h1-15H,27-28H2,(H,33,34,35);/q;+1/p-1",C26H20N6O3S.Na,,,,,,REXKKXDFCFPBRE-UHFFFAOYSA-M,,,,,,,,,,,
100.030.286,233-329-5,10124-29-5,"Sulphuric acid, aluminium salt",-,[Al+3].[O-]S(=O)(=O)[O-],[Al+3].[O-]S(=O)(=O)[O-],"InChI=1/Al.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+3;/p-2",Al.xH2O4S,,,,,,PQCGLNQNFNNWQI-UHFFFAOYSA-L,,,,,,,,,,,
100.030.293,233-336-3,10124-49-9,"Sulphuric acid, iron salt",iron(2+) sulfate,[Fe].OS(O)(=O)=O,[Fe].OS(O)(=O)=O,"InChI=1/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;",Fe.xH2O4S,,,,,,MVZXTUSAYBWAAM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.406,215-846-8,1428-27-9,"Ammonium 2,2,3,3-tetrafluoropropionate","ammonium 2,2,3,3-tetrafluoropropanoate",[NH4+].[O-]C(=O)C(F)(F)C(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)F,"InChI=1/C3H2F4O2.H3N/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);1H3",C3H2F4O2.H3N,,,,,,RGAICKSSHYNZPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.408,215-848-9,1428-72-4,"Sodium 5-[(aminocarbonyl)hydrazono]-2,3,5,6-tetrahydro-1-methyl-6-oxo-1H-indole-3-sulphonate","sodium 5-(carbamoylhydrazono)-1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-3-sulfonate",[Na+].NC(=O)NN=C1\\C=C2/C(=C\\C1=O)N(C)CC2S([O-])(=O)=O,[Na+].NC(=O)NN=C1\C=C2/C(=C\C1=O)N(C)CC2S([O-])(=O)=O,"InChI=1/C10H12N4O5S.Na/c1-14-4-9(20(17,18)19)5-2-6(12-13-10(11)16)8(15)3-7(5)14;/h2-3,9H,4H2,1H3,(H3,11,13,16)(H,17,18,19);/q;+1/p-1",C10H12N4O5S.Na,,,,,,SCQNHNZQDDVKOG-UHFFFAOYSA-M,,,,,,,,,,,
100.014.411,215-852-0,1429-59-0,"(R)-1-(hydroxymethyl)ethane-1,2-diyl distearate","3-hydroxypropane-1,2-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3",C39H76O5,,,,,,UHUSDOQQWJGJQS-DIPNUNPCSA-N,,,,,,,,,,,
100.014.414,215-855-7,1431-54-5,2-ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]propylene (3-isocyanato-4-methylphenyl)carbamate,"2,2-bis({[(3-isocyanato-4-methylphenyl)carbamoyl]oxy}methyl)butyl (3-isocyanato-4-methylphenyl)carbamate (non-preferred name)",CCC(COC(=O)Nc1ccc(C)c(c1)N=C=O)(COC(=O)Nc2ccc(C)c(c2)N=C=O)COC(=O)Nc3ccc(C)c(c3)N=C=O,CCC(COC(=O)Nc1ccc(C)c(c1)N=C=O)(COC(=O)Nc2ccc(C)c(c2)N=C=O)COC(=O)Nc3ccc(C)c(c3)N=C=O,"InChI=1/C33H32N6O9/c1-5-33(15-46-30(43)37-24-9-6-21(2)27(12-24)34-18-40,16-47-31(44)38-25-10-7-22(3)28(13-25)35-19-41)17-48-32(45)39-26-11-8-23(4)29(14-26)36-20-42/h6-14H,5,15-17H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)",C33H32N6O9,,,,,,XHLFUMPVVXAFKO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.415,215-856-2,1432-14-0,Bis(2-hydroxyethyl)ammonium 2-(4-chloro-2-methylphenoxy)propionate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium 2-(4-chloro-2-methylphenoxy)propanoate,CC(Oc1ccc(Cl)cc1C)C(=O)[O-].OCC[NH2+]CCO,CC(Oc1ccc(Cl)cc1C)C(=O)[O-].OCC[NH2+]CCO,"InChI=1/C10H11ClO3.C4H11NO2/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;6-3-1-5-2-4-7/h3-5,7H,1-2H3,(H,12,13);5-7H,1-4H2",C10H11ClO3.C4H11NO2,,,,,,CGFQAAGKJZMVNF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.418,215-859-9,1435-50-3,"2-bromo-1,4-dichlorobenzene","2-bromo-1,4-dichlorobenzene",Clc1ccc(Cl)c(Br)c1,Clc1ccc(Cl)c(Br)c1,InChI=1/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3H,C6H3BrCl2,,,,,,OVXVQBCRONSPDC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.419,215-860-4,1435-53-6,"2,4-dibromo-1-fluorobenzene","2,4-dibromo-1-fluorobenzene",Fc1ccc(Br)cc1Br,Fc1ccc(Br)cc1Br,InChI=1/C6H3Br2F/c7-4-1-2-6(9)5(8)3-4/h1-3H,C6H3Br2F,,,,,,MKHDDTWHDFVYDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.421,215-863-0,1435-71-8,2-[(o-nitrophenyl)azo]-p-cresol,4-methyl-2-[(2-nitrophenyl)diazenyl]phenol,Oc2ccc(C)cc2N=Nc1ccccc1[N+]([O-])=O,Oc2ccc(C)cc2N=Nc1ccccc1[N+]([O-])=O,"InChI=1/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3",C13H11N3O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1573,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.421,DRPPFIRCBMBJCM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.422,215-864-6,1436-34-6,"1,2-epoxyhexane",2-butyloxirane,CCCCC1CO1,CCCCC1CO1,"InChI=1/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3",C6H12O,,,,,,WHNBDXQTMPYBAT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.435,215-878-2,1439-36-7,1-(triphenylphosphoranylidene)acetone,1-(triphenylphosphoranylidene)acetone,CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3,CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3",C21H19OP,,,,,,KAANTNXREIRLCT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.589,228-147-8,6144-93-0,"4,4-dimethylpentan-2-ol","4,4-dimethylpentan-2-ol",CC(O)CC(C)(C)C,CC(O)CC(C)(C)C,"InChI=1/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3",C7H16O,,,,,,OIBKGNPMOMMSSI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.591,228-149-9,6145-69-3,"(±)-3-(hexadecyloxy)propane-1,2-diol","3-(hexadecyloxy)propane-1,2-diol",CCCCCCCCCCCCCCCCOCC(O)CO,CCCCCCCCCCCCCCCCOCC(O)CO,"InChI=1/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3",C19H40O3,,,,,,OOWQBDFWEXAXPB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.595,228-154-6,6147-00-8,Manganese dibutyrate,manganese(2+) dibutanoate,[Mn+2].CCCC(=O)[O-].CCCC(=O)[O-],[Mn+2].CCCC(=O)[O-].CCCC(=O)[O-],"InChI=1/2C4H8O2.Mn/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2",C4H8O2.1/2Mn,,,,,,BLMXJJXSWRYMCS-UHFFFAOYSA-L,,,,,,,,,,,
100.025.597,228-156-7,6148-64-7,Potassium ethyl malonate,potassium 3-ethoxy-3-oxopropanoate,[K+].CCOC(=O)CC(=O)[O-],[K+].CCOC(=O)CC(=O)[O-],"InChI=1/C5H8O4.K/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1",C5H8O4.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17927,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.597,WVUCPRGADMCTBN-UHFFFAOYSA-M,,,,,,,,,,,
100.025.606,228-166-1,6152-78-9,"1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinolinium bromide","1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinolinium bromide",[Br-].COc1ccc(Cc2[nH+]ccc3cc(OC)c(OC)cc23)cc1OC,[Br-].COc1ccc(Cc2[nH+]ccc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C20H21NO4.BrH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H",C20H21NO4.BrH,,,,,,ZOTOKALDLZHMJP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.154,214-469-6,1131-63-1,"5,6,7,8-tetrahydro-2-naphthoic acid","5,6,7,8-tetrahydronaphthalene-2-carboxylic acid",OC(=O)c1ccc2CCCCc2c1,OC(=O)c1ccc2CCCCc2c1,"InChI=1/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)",C11H12O2,,,,,,RSWXAGBBPCRION-UHFFFAOYSA-N,,,,,,,,,,,
100.013.155,214-470-1,1131-64-2,Debrisoquine,"3,4-dihydroisoquinoline-2(1H)-carboximidamide",NC(=N)N1CCc2ccccc2C1,NC(=N)N1CCc2ccccc2C1,"InChI=1/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)",C10H13N3,,,,,,JWPGJSVJDAJRLW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.157,214-472-2,1132-03-2,2-(hydroxyimino)-N-(2-methylphenyl)acetamide,2-(hydroxyimino)-N-(2-methylphenyl)acetamide,O=C(Nc1ccccc1C)C=NO,O=C(Nc1ccccc1C)C=NO,"InChI=1/C9H10N2O2/c1-7-4-2-3-5-8(7)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)",C9H10N2O2,,,,,,XLFBDBCQQNVKHU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.159,214-474-3,1132-39-4,Diphenyl selenide,"1,1'-selanyldibenzene",[Se](c1ccccc1)c2ccccc2,[Se](c1ccccc1)c2ccccc2,InChI=1/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,C12H10Se,,,,,,ORQWTLCYLDRDHK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.164,214-480-6,1133-80-8,2-bromo-9H-fluorene,2-bromo-9H-fluorene,Brc1ccc2c(Cc3ccccc23)c1,Brc1ccc2c(Cc3ccccc23)c1,"InChI=1/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2",C13H9Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18175,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.164,FXSCJZNMWILAJO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.168,214-484-8,1134-36-7,3-aminobiphenyl-4-ol,3-aminobiphenyl-4-ol,Nc1cc(ccc1O)c2ccccc2,Nc1cc(ccc1O)c2ccccc2,"InChI=1/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2",C12H11NO,,,,,,IGIDZGNPFWGICD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.177,214-494-2,1135-66-6,"(2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene","1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalene",CC1(C)CCC=C2C(C)(C)[C@H]3CCC12C3,CC1(C)CCC=C2C(C)(C)[C@H]3CCC12C3,"InChI=1/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3",C15H24,,,,,,CQUAYTJDLQBXCQ-VPHXOMNUSA-N,,,,,,,,,,,
100.013.178,214-495-8,1135-67-7,1-phenylcyclohexane-1-carboxylic acid,1-phenylcyclohexanecarboxylic acid,OC(=O)C1(CCCCC1)c2ccccc2,OC(=O)C1(CCCCC1)c2ccccc2,"InChI=1/C13H16O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)",C13H16O2,,,,,,QXXHHHWXFHPNOS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.190,214-509-2,1137-96-8,N-benzylideneaniline N-oxide,N-benzylidene-N-phenylamine oxide,[O-][N+](=Cc1ccccc1)c2ccccc2,[O-][N+](=Cc1ccccc1)c2ccccc2,InChI=1/C13H11NO/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,C13H11NO,,,,,,ZEAUJQWDPKRESH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.771,226-147-2,5299-52-5,4-oleoylmorpholine,4-oleoylmorpholine,CCCCCCCC\\C=C/CCCCCCCC(=O)N1CCOCC1,CCCCCCCC\C=C/CCCCCCCC(=O)N1CCOCC1,"InChI=1/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)23-18-20-25-21-19-23/h9-10H,2-8,11-21H2,1H3",C22H41NO2,,,,,,RZLQCNYCMRDLBA-KTKRTIGZSA-N,,,,,,,,,,,
100.023.784,226-161-9,8/02/5307,"2,5-diaminoanisole","2-methoxybenzene-1,4-diamine",COc1cc(N)ccc1N,COc1cc(N)ccc1N,"InChI=1/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3",C7H10N2O,,,,,,HGUYBLVGLMAUFF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.791,226-169-2,5312-97-0,"2,5-dimethoxybenzonitrile","2,5-dimethoxybenzonitrile",COc1ccc(OC)c(c1)C#N,COc1ccc(OC)c(c1)C#N,"InChI=1/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3",C9H9NO2,,,,,,HWAMEJIMXIXLIH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.796,226-175-5,5316-74-5,2-(ethylthio)-4-phenylthiazole,"2-(ethylsulfanyl)-4-phenyl-1,3-thiazole",CCSc1nc(cs1)c2ccccc2,CCSc1nc(cs1)c2ccccc2,"InChI=1/C11H11NS2/c1-2-13-11-12-10(8-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3",C11H11NS2,,,,,,KGLVHCYZWWKBRE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.808,226-188-6,5321-63-1,1-benzylpiperazine dihydrochloride,1-benzylpiperazine dihydrochloride,Cl.Cl.C(N1CCNCC1)c2ccccc2,Cl.Cl.C(N1CCNCC1)c2ccccc2,"InChI=1/C11H16N2.2ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;;/h1-5,12H,6-10H2;2*1H",C11H16N2.2ClH,,,,,,BBUJLUKPBBBXMU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.810,226-190-7,5323-87-5,3-ethoxycyclohex-2-ene-1-one,3-ethoxycyclohex-2-en-1-one,CCOC1=CC(=O)CCC1,CCOC1=CC(=O)CCC1,"InChI=1/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5H2,1H3",C8H12O2,,,,,,JWCFJPLIRVYENQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.812,226-192-8,9/12/5324,"2,3-dibromopropyl dihydrogen phosphate","2,3-dibromopropyl dihydrogen phosphate",OP(=O)(O)OCC(Br)CBr,OP(=O)(O)OCC(Br)CBr,"InChI=1/C3H7Br2O4P/c4-1-3(5)2-9-10(6,7)8/h3H,1-2H2,(H2,6,7,8)",C3H7Br2O4P,,,,,,GMAAWZONVLTAMA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.969,215-365-3,1324-17-0,"Bromobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione","1-bromobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione",Brc1cccc2c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(C(=O)c12)c3c49)c5c68,Brc1cccc2c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(C(=O)c12)c3c49)c5c68,InChI=1/C34H15BrO2/c35-27-7-3-6-17-19-10-11-21-22-12-14-25-30-18(16-4-1-2-5-24(16)33(25)36)8-9-20(28(22)30)23-13-15-26(31(19)29(21)23)34(37)32(17)27/h1-15H,C34H15BrO2,,,,,,ULIDAIFZDPOEBM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.388,226-826-3,5493-45-8,"Bis(2,3-epoxypropyl) cyclohexane-1,2-dicarboxylate","bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate",O=C(OCC1CO1)C2CCCCC2C(=O)OCC3CO3,O=C(OCC1CO1)C2CCCCC2C(=O)OCC3CO3,"InChI=1/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2",C14H20O6,,,,,,XFUOBHWPTSIEOV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.367,229-003-7,7/01/6393,"2,5-dimethylbenzene-1,4-diamine","2,5-dimethylbenzene-1,4-diamine",Cc1cc(N)c(C)cc1N,Cc1cc(N)c(C)cc1N,"InChI=1/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3",C8H12N2,,,,,,BWAPJIHJXDYDPW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.007,230-808-0,7327-87-9,Dihydralazine sulphate,"1,4-bis(hydrazino)phthalazine sulfate",NNc1nnc(NN)c2ccccc12.OS(=O)(=O)O,NNc1nnc(NN)c2ccccc12.OS(=O)(=O)O,"InChI=1/C8H10N6.H2O4S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4)",C8H10N6.H2O4S,,,,,,BWHAMWGGORIDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.009,230-810-1,7328-16-7,2-(2-butoxyethoxy)ethyl acrylate,2-(2-butoxyethoxy)ethyl acrylate,CCCCOCCOCCOC(=O)C=C,CCCCOCCOCCOC(=O)C=C,"InChI=1/C11H20O4/c1-3-5-6-13-7-8-14-9-10-15-11(12)4-2/h4H,2-3,5-10H2,1H3",C11H20O4,,,,,,KEVOENGLLAAIKA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.011,230-812-2,7328-18-9,2-(2-methoxyethoxy)ethyl acrylate,2-(2-methoxyethoxy)ethyl acrylate,COCCOCCOC(=O)C=C,COCCOCCOC(=O)C=C,"InChI=1/C8H14O4/c1-3-8(9)12-7-6-11-5-4-10-2/h3H,1,4-7H2,2H3",C8H14O4,,,,,,HZMXJTJBSWOCQB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.015,230-816-4,7328-34-9,"Ethyl (2E,4E)-2,4-decadienoate","ethyl deca-2,4-dienoate",CCCCC\\C=C\\C=C\\C(=O)OCC,CCCCC\C=C\C=C\C(=O)OCC,"InChI=1/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3",C12H20O2,,,,,,OPCRGEVPIBLWAY-BNFZFUHLSA-N,,,,,,,,,,,
100.028.016,230-818-5,7328-38-3,Disodium 4-decyl 2-sulphonatosuccinate,disodium 4-(decyloxy)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H26O7S.2Na/c1-2-3-4-5-6-7-8-9-10-21-13(15)11-12(14(16)17)22(18,19)20;;/h12H,2-11H2,1H3,(H,16,17)(H,18,19,20);;/q;2*+1/p-2",C14H26O7S.2Na,,,,,,KLMGYAAHDXFWTL-UHFFFAOYSA-L,,,,,,,,,,,
100.028.018,230-820-6,7328-97-4,"2,2',2'',2'''-[ethane-1,2-diylidenetetrakis(p-phenyleneoxymethylene)]tetraoxirane","2,2',2'',2'''-[ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane",C(Oc1ccc(cc1)C(C(c2ccc(OCC3CO3)cc2)c4ccc(OCC5CO5)cc4)c6ccc(OCC7CO7)cc6)C8CO8,C(Oc1ccc(cc1)C(C(c2ccc(OCC3CO3)cc2)c4ccc(OCC5CO5)cc4)c6ccc(OCC7CO7)cc6)C8CO8,"InChI=1/C38H38O8/c1-9-29(39-17-33-21-43-33)10-2-25(1)37(26-3-11-30(12-4-26)40-18-34-22-44-34)38(27-5-13-31(14-6-27)41-19-35-23-45-35)28-7-15-32(16-8-28)42-20-36-24-46-36/h1-16,33-38H,17-24H2",C38H38O8,,,,,,HDDQXUDCEIMISH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.024,230-826-9,7330-34-9,Di-tert-butyl heptasulphide,di-tert-butylheptasulfane,CC(C)(C)SSSSSSSC(C)(C)C,CC(C)(C)SSSSSSSC(C)(C)C,"InChI=1/C8H18S7/c1-7(2,3)9-11-13-15-14-12-10-8(4,5)6/h1-6H3",C8H18S7,,,,,,OYJYGDKEWKCERP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.986,232-998-0,10003-69-7,"2,2',2'',2'''-[1,2-ethanediylidenetetrakis(thio)]tetraacetic acid","2,2',2'',2'''-(ethane-1,1,2,2-tetrayltetrasulfanediyl)tetraacetic acid",OC(=O)CSC(SCC(=O)O)C(SCC(=O)O)SCC(=O)O,OC(=O)CSC(SCC(=O)O)C(SCC(=O)O)SCC(=O)O,"InChI=1/C10H14O8S4/c11-5(12)1-19-9(20-2-6(13)14)10(21-3-7(15)16)22-4-8(17)18/h9-10H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",C10H14O8S4,,,,,,AWLPPBSWOMXWGA-UHFFFAOYSA-N,,,,,,,,,,,
100.029.991,233-003-2,10008-12-5,2-methylnaphthalene-1-carbonyl chloride,2-methyl-1-naphthoyl chloride,Cc1ccc2ccccc2c1C(=O)Cl,Cc1ccc2ccccc2c1C(=O)Cl,"InChI=1/C12H9ClO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3",C12H9ClO,,,,,,PTOWDOKEXPHSFV-UHFFFAOYSA-N,,,,,,,,,,,
100.029.993,233-005-3,10010-67-0,"Sodium hydrogen piperazine-1,4-diethanesulphonate","hydrogen sodium 2,2'-piperazine-1,4-diyldiethanesulfonate",[Na+].[O-]S(=O)(=O)CCN1CCN(CCS(=O)(=O)[O-])CC1,[Na+].[O-]S(=O)(=O)CCN1CCN(CCS(=O)(=O)[O-])CC1,"InChI=1/C8H18N2O6S2.Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;/h1-8H2,(H,11,12,13)(H,14,15,16);/q;+1/p-2",C8H18N2O6S2.Na,,,,,,OGGAIRCLBMGXCZ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.005,226-405-4,7/01/5395,2-hydroxyethyl carbamate,2-hydroxyethyl carbamate,NC(=O)OCCO,NC(=O)OCCO,"InChI=1/C3H7NO3/c4-3(6)7-2-1-5/h5H,1-2H2,(H2,4,6)",C3H7NO3,,,,,,BTDQXGUEVVTAMD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.008,226-409-6,5395-75-5,"1,2-bis(ethylthio)ethane","1,2-bis(ethylsulfanyl)ethane",CCSCCSCC,CCSCCSCC,"InChI=1/C6H14S2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3",C6H14S2,,,,,,DCXDVGKTBDNYRX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.009,226-410-1,5395-94-8,"1,3-[bis(2-ethylphenyl)]thiourea","1,3-bis(2-ethylphenyl)thiourea",CCc1ccccc1NC(=S)Nc2ccccc2CC,CCc1ccccc1NC(=S)Nc2ccccc2CC,"InChI=1/C17H20N2S/c1-3-13-9-5-7-11-15(13)18-17(20)19-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,20)",C17H20N2S,,,,,,WYMLGVPROUZGCI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.010,226-411-7,5396-24-7,Propyl chloroacetate,propyl chloroacetate,CCCOC(=O)CCl,CCCOC(=O)CCl,"InChI=1/C5H9ClO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3",C5H9ClO2,,,,,,QJZNRCWAXUGABH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.972,215-369-5,1324-27-2,"Chloro-6,15-dihydroanthrazine-5,9,14,18-tetrone","1-chloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrone",Clc1cccc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc3C(=O)c12,Clc1cccc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc3C(=O)c12,"InChI=1/C28H13ClN2O4/c29-17-7-3-6-14-20(17)27(34)16-9-11-19-24(22(16)28(14)35)31-18-10-8-15-21(23(18)30-19)26(33)13-5-2-1-4-12(13)25(15)32/h1-11,30-31H",C28H13ClN2O4,,,,,,FMQYRNHIUXVQBR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.975,215-372-1,1324-33-0,"Tribromopyranthrene-8,16-dione","1,2,3-tribromopyranthrene-8,16-dione",Brc1cc2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc(C(=O)c2c(Br)c1Br)c3c8c4c57,Brc1cc2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc(C(=O)c2c(Br)c1Br)c3c8c4c57,InChI=1/C30H11Br3O2/c31-21-11-20-19-10-13-5-7-16-24-18(14-3-1-2-4-15(14)29(16)34)9-12-6-8-17(25(19)23(12)22(13)24)30(35)26(20)28(33)27(21)32/h1-11H,C30H11Br3O2,,,,,,UONIWDRQOAPMNV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.977,215-374-2,1324-35-2,"Dibromopyranthrene-8,16-dione","1,2-dibromopyranthrene-8,16-dione",Brc1ccc2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc(C(=O)c2c1Br)c3c8c4c57,Brc1ccc2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc(C(=O)c2c1Br)c3c8c4c57,InChI=1/C30H12Br2O2/c31-22-10-9-16-21-12-14-5-7-18-25-20(15-3-1-2-4-17(15)29(18)33)11-13-6-8-19(26(21)24(13)23(14)25)30(34)27(16)28(22)32/h1-12H,C30H12Br2O2,,,,,,HJICBVMRKHYRDH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.978,215-375-8,1324-43-2,"Disodium 7,17-dichloro-10,20-dihydrodiindeno[2,1-b:2',1'-m]triphenodioxazinedisulphonate","disodium 7,17-dichloro-10,20-dihydrofluoreno[2',3':5,6][1,4]oxazino[2,3-b]indeno[1,2-i]phenoxazine-1,2-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(Cc3cc4N=C5C(=C6Oc7cc8c(Cc9ccccc89)cc7N=C6C(=C5Oc4cc23)Cl)Cl)c1S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(Cc3cc4N=C5C(=C6Oc7cc8c(Cc9ccccc89)cc7N=C6C(=C5Oc4cc23)Cl)Cl)c1S(=O)(=O)[O-],"InChI=1/C32H16Cl2N2O8S2.2Na/c33-26-28-30(43-23-11-18-14(9-21(23)35-28)7-13-3-1-2-4-16(13)18)27(34)29-31(26)44-24-12-19-15(10-22(24)36-29)8-20-17(19)5-6-25(45(37,38)39)32(20)46(40,41)42;;/h1-6,9-12H,7-8H2,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C32H16Cl2N2O8S2.2Na,,,,,,UOLGNGPANGZUAJ-UHFFFAOYSA-L,,,,,,,,,,,
100.023.483,225-831-8,5107-58-4,"[benzene-1,2,4,5-tetrayltetrakis(carbonyloxy)]tetrakis[tributylstannane]","[benzene-1,2,4,5-tetrayltetrakis(carbonyloxy)]tetrakis(tributylstannane)",CCCC[Sn](CCCC)(CCCC)OC(=O)c1cc(C(=O)O[Sn](CCCC)(CCCC)CCCC)c(cc1C(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OC(=O)c1cc(C(=O)O[Sn](CCCC)(CCCC)CCCC)c(cc1C(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C10H6O8.12C4H9.4Sn/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;12*1-3-4-2;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);12*1,3-4H2,2H3;;;;/q;;;;;;;;;;;;;4*+1/p-4/rC58H110O8Sn4/c1-13-25-37-67(38-26-14-2,39-27-15-3)63-55(59)51-49-53(57(61)65-69(43-31-19-7,44-32-20-8)45-33-21-9)54(58(62)66-70(46-34-22-10,47-35-23-11)48-36-24-12)50-52(51)56(60)64-68(40-28-16-4,41-29-17-5)42-30-18-6/h49-50H,13-48H2,1-12H3",C58H110O8Sn4,,,,,,CFXXZQZTLQFLOV-UHFFFAOYSA-J,,,,,,,,,,,
100.023.486,225-834-4,5108-96-3,Ammonium pyrrolidine-1-carbodithioate,ammonium pyrrolidine-1-carbodithioate,[NH4+].[S-]C(=S)N1CCCC1,[NH4+].[S-]C(=S)N1CCCC1,"InChI=1/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3",C5H9NS2.H3N,,,,,,MDDIUTVUBYEEEM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.490,225-839-1,5112-16-3,Cadmium nonan-1-oate,cadmium dinonanoate,[Cd+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-],"InChI=1/2C9H18O2.Cd/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Cd,,,,,,GVVIIKFONQESNB-UHFFFAOYSA-L,,,,,,,,,,,
100.023.492,225-841-2,5112-47-0,4-oxo-4H-1-benzopyran-2-carbonyl chloride,4-oxo-4H-chromene-2-carbonyl chloride,ClC(=O)C1=CC(=O)c2ccccc2O1,ClC(=O)C1=CC(=O)c2ccccc2O1,InChI=1/C10H5ClO3/c11-10(13)9-5-7(12)6-3-1-2-4-8(6)14-9/h1-5H,C10H5ClO3,,,,,,FAEHWELEABAGRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.495,225-844-9,5114-00-1,"trans-a,a,4-trimethylcyclohexanemethanol",2-(4-methylcyclohexyl)propan-2-ol,C[C@@H]1CC[C@H](CC1)C(C)(C)O,C[C@@H]1CC[C@H](CC1)C(C)(C)O,"InChI=1/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,UODXCYZDMHPIJE-KYZUINATSA-N,,,,,,,,,,,
100.023.497,225-847-5,5115-25-3,"3,9-di-2-furyl-2,4,8,10-tetraoxaspiro[5.5]undecane","3,9-di-2-furyl-2,4,8,10-tetraoxaspiro[5.5]undecane",C1OC(OCC12COC(OC2)c3occc3)c4occc4,C1OC(OCC12COC(OC2)c3occc3)c4occc4,"InChI=1/C15H16O6/c1-3-11(16-5-1)13-18-7-15(8-19-13)9-20-14(21-10-15)12-4-2-6-17-12/h1-6,13-14H,7-10H2",C15H16O6,,,,,,RCPOYMZTZWMPSU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.501,225-851-7,5116-95-0,Bis(tridecan-1-yl) hydrogen phosphate,ditridecyl hydrogen phosphate,CCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCC,"InChI=1/C26H55O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,27,28)",C26H55O4P,,,,,,XEJNLUBEFCNORG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.506,225-856-4,5117-19-1,"3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol","3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol",OCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2",C16H34O9,,,,,,GLZWNFNQMJAZGY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.507,225-858-5,5118-29-6,Melitracen,"3-(10,10-dimethylanthracen-9(10H)-ylidene)-N,N-dimethylpropan-1-amine",CN(C)CCC=C1c2ccccc2C(C)(C)c3ccccc13,CN(C)CCC=C1c2ccccc2C(C)(C)c3ccccc13,"InChI=1/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3",C21H25N,,,,,,GWWLWDURRGNSRS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.511,225-862-7,5124-25-4,4-anilino-3-nitro-N-phenylbenzenesulphonamide,4-anilino-3-nitro-N-phenylbenzenesulfonamide,[O-][N+](=O)c1cc(ccc1Nc2ccccc2)S(=O)(=O)Nc3ccccc3,[O-][N+](=O)c1cc(ccc1Nc2ccccc2)S(=O)(=O)Nc3ccccc3,"InChI=1/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H",C18H15N3O4S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10331,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.511,BBFRYSKTTHYWQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.513,225-864-8,9/10/5128,Copper(2+) heptanoate,copper(2+) diheptanoate,[Cu+2].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],[Cu+2].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],"InChI=1/2C7H14O2.Cu/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2",C7H14O2.1/2Cu,,,,,,NQDSPXCXIOLFGI-UHFFFAOYSA-L,,,,,,,,,,,
100.023.515,225-866-9,5128-29-0,Titanium(4+) octadecan-1-olate,titanium(4+) octadecan-1-olate,[Ti+4].[Ti+4].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],[Ti+4].[Ti+4].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],"InChI=1/8C10H21O.2Ti/c8*1-2-3-4-5-6-7-8-9-10-11;;/h8*2-10H2,1H3;;/q8*-1;2*+4",C18H38O.1/4Ti,,,,,,GCOCRNVKQANPII-UHFFFAOYSA-N,,,,,,,,,,,
100.023.516,225-867-4,5128-44-9,5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone,5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one,COc1ccc(cc1)C2=CC(=O)c3c(O)cc(OC)cc3O2,COc1ccc(cc1)C2=CC(=O)c3c(O)cc(OC)cc3O2,"InChI=1/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3",C17H14O5,,,,,,LZERJKGWTQYMBB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.191,214-510-8,1138-15-4,N-trans-cinnamoylimidazole,1-cinnamoyl-1H-imidazole,O=C(/C=C/c1ccccc1)n2ccnc2,O=C(/C=C/c1ccccc1)n2ccnc2,InChI=1/C12H10N2O/c15-12(14-9-8-13-10-14)7-6-11-4-2-1-3-5-11/h1-10H,C12H10N2O,,,,,,XVGXMXZUJNAGFZ-VOTSOKGWSA-N,,,,,,,,,,,
100.013.194,214-513-4,1138-52-9,"3,5-di-tert-butylphenol","3,5-di-tert-butylphenol",CC(C)(C)c1cc(O)cc(c1)C(C)(C)C,CC(C)(C)c1cc(O)cc(c1)C(C)(C)C,"InChI=1/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3",C14H22O,,,,,,ZDWSNKPLZUXBPE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.198,214-518-1,1139-17-9,"[1S-(1a,3aß,4a,8aß,9R*)]-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methanol","(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl)methanol",CC1(C)CCCC2(C)C(CO)C3CCC2C13,CC1(C)CCCC2(C)C(CO)C3CCC2C13,"InChI=1/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3",C15H26O,,,,,,VZJHQHUOVIDRCF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.201,214-521-8,1139-52-2,"4-bromo-2,6-di-tert-butylphenol","4-bromo-2,6-di-tert-butylphenol",CC(C)(C)c1cc(Br)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(Br)cc(c1O)C(C)(C)C,"InChI=1/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3",C14H21BrO,,,,,,SSQQUEKFNSJLKX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.205,214-526-5,1141-06-6,"2-hydroxy-1,2-di-2-pyridylethanone","2-hydroxy-1,2-dipyridin-2-ylethanone",OC(C(=O)c1ccccn1)c2ccccn2,OC(C(=O)c1ccccn1)c2ccccn2,"InChI=1/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H",C12H10N2O2,,,,,,ZKBDAJDDDOIASC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.207,214-528-6,1141-59-9,4-(2-pyridylazo)resorcinol,"4-(pyridin-2-yldiazenyl)benzene-1,3-diol",Oc2ccc(N=Nc1ccccn1)c(O)c2,Oc2ccc(N=Nc1ccccn1)c(O)c2,"InChI=1/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H",C11H9N3O2,,,,,,RJNYNDHYSJRRDW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.212,214-533-3,1142-27-4,p-nitrophenyl dimethylsulphamate,4-nitrophenyl dimethylsulfamate,CN(C)S(=O)(=O)Oc1ccc(cc1)[N+](=O)[O-],CN(C)S(=O)(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H10N2O5S/c1-9(2)16(13,14)15-8-5-3-7(4-6-8)10(11)12/h3-6H,1-2H3",C8H10N2O5S,,,,,,ABMFUZRWANUQNU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.217,214-539-6,1143-50-6,"5H-dibenz[b,e]azepine-6,11-dione","5H-dibenzo[b,e]azepine-6,11-dione",O=C1Nc2ccccc2C(=O)c3ccccc13,O=C1Nc2ccccc2C(=O)c3ccccc13,"InChI=1/C14H9NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8H,(H,15,17)",C14H9NO2,,,,,,USJALFVAJSYMSN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.218,214-540-1,1143-72-2,"2,3,4-trihydroxybenzophenone","phenyl(2,3,4-trihydroxyphenyl)methanone",Oc1ccc(C(=O)c2ccccc2)c(O)c1O,Oc1ccc(C(=O)c2ccccc2)c(O)c1O,"InChI=1/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H",C13H10O4,,,,,,HTQNYBBTZSBWKL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.220,214-542-2,1144-74-7,4-nitrobenzophenone,(4-nitrophenyl)(phenyl)methanone,[O-][N+](=O)c1ccc(cc1)C(=O)c2ccccc2,[O-][N+](=O)c1ccc(cc1)C(=O)c2ccccc2,InChI=1/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,C13H9NO3,,,,,,ZYMCBJWUWHHVRX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.815,226-195-4,5324-84-5,Sodium octane-1-sulphonate monohydrate,sodium octane-1-sulfonate hydrate,O.[Na+].CCCCCCCCS(=O)(=O)[O-],O.[Na+].CCCCCCCCS(=O)(=O)[O-],"InChI=1/C8H18O3S.Na.H2O/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H,9,10,11);;1H2/q;+1;/p-1",C8H18O3S.Na,,,,,,MBURIAHQXJQKRE-UHFFFAOYSA-M,,,,,,,,,,,
100.023.818,226-199-6,5325-97-3,"1,2,3,4,5,6,7,8-octahydrophenanthrene","1,2,3,4,5,6,7,8-octahydrophenanthrene",C1CCc2c(C1)ccc3CCCCc23,C1CCc2c(C1)ccc3CCCCc23,"InChI=1/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10H,1-8H2",C14H18,,,,,,YSZLFGZFQTTZIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.013,226-414-3,5396-58-7,"2-methylbutane-2,3-diol","2-methylbutane-2,3-diol",CC(O)C(C)(C)O,CC(O)C(C)(C)O,"InChI=1/C5H12O2/c1-4(6)5(2,3)7/h4,6-7H,1-3H3",C5H12O2,,,,,,IDEOPBXRUBNYBN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.015,226-416-4,5396-89-4,Benzyl acetoacetate,benzyl 3-oxobutanoate,CC(=O)CC(=O)OCc1ccccc1,CC(=O)CC(=O)OCc1ccccc1,"InChI=1/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C11H12O3,,,,,,WOFAGNLBCJWEOE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.028,226-431-6,5398-34-5,"Disodium hydrogen 8-aminonaphthalene-1,3,6-trisulphonate","disodium hydrogen 8-aminonaphthalene-1,3,6-trisulfonate",[Na+].[Na+].Nc1cc(cc2cc(cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(cc2cc(cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO9S3.2Na/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;/q;2*+1/p-3",C10H9NO9S3.2Na,,,,,,KHJANRFXWPPWEL-UHFFFAOYSA-K,,,,,,,,,,,
100.014.388,215-826-9,1421-86-9,Strychnine hydrochloride,strychnidin-10-one hydrochloride,Cl.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,Cl.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2.ClH/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;/h1-5,13,16-17,19-20H,6-11H2;1H",C21H22N2O2.ClH,,,,,,VLXYTKMPCOQKEM-ZEYGOCRCSA-N,,,,,,,,,,,
100.014.389,215-827-4,1421-89-2,2-dimethylaminoethyl acetate,2-(dimethylamino)ethyl acetate,CN(C)CCOC(=O)C,CN(C)CCOC(=O)C,"InChI=1/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3",C6H13NO2,,,,,,GOLSFPMYASLXJC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.395,215-834-2,1423-60-5,But-3-yn-2-one,but-3-yn-2-one,CC(=O)C#C,CC(=O)C#C,"InChI=1/C4H4O/c1-3-4(2)5/h1H,2H3",C4H4O,,,,,,XRGPFNGLRSIPSA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.412,215-853-6,1430-97-3,2-methylfluorene,2-methyl-9H-fluorene,Cc1ccc2c(Cc3ccccc23)c1,Cc1ccc2c(Cc3ccccc23)c1,"InChI=1/C14H12/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14/h2-8H,9H2,1H3",C14H12,,,,,,RKJHJMAZNPASHY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.413,215-854-1,1431-39-6,5-(dimethylamino)naphthalene-1-sulphonamide,5-(dimethylamino)naphthalene-1-sulfonamide,CN(C)c1cccc2c(cccc12)S(=O)(=O)N,CN(C)c1cccc2c(cccc12)S(=O)(=O)N,"InChI=1/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)",C12H14N2O2S,,,,,,TYNBFJJKZPTRKS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.417,215-858-3,1435-49-0,"1,2-dichloro-4-fluorobenzene","1,2-dichloro-4-fluorobenzene",Fc1ccc(Cl)c(Cl)c1,Fc1ccc(Cl)c(Cl)c1,InChI=1/C6H3Cl2F/c7-5-2-1-4(9)3-6(5)8/h1-3H,C6H3Cl2F,,,,,,QSDKXMVGRLVIQV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.424,215-866-7,1437-15-6,"1,2-di(2-pyridyl)ethylene","2,2'-ethene-1,2-diyldipyridine",C(=C\\c1ccccn1)/c2ccccn2,C(=C\c1ccccn1)/c2ccccn2,InChI=1/C12H10N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-10H,C12H10N2,,,,,,HKEOCEQLCZEBMK-BQYQJAHWSA-N,,,,,,,,,,,
100.014.425,215-867-2,1437-89-4,4-methylthiazolidine-2-thione,"4-methyl-1,3-thiazolidine-2-thione",CC1CSC(=S)N1,CC1CSC(=S)N1,"InChI=1/C4H7NS2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)",C4H7NS2,,,,,,OUIAITHYQOIRPM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.434,215-877-7,1439-07-2,"trans-a,a-epoxydibenzyl","2,3-diphenyloxirane",O1C(C1c2ccccc2)c3ccccc3,O1C(C1c2ccccc2)c3ccccc3,"InChI=1/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H",C14H12O,,,,,,ARCJQKUWGAZPFX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.588,228-146-2,6143-68-6,"N,N'-diethyl-1,1-dimethylsilanediamine","N,N'-diethyl-1,1-dimethylsilanediamine",CCN[Si](C)(C)NCC,CCN[Si](C)(C)NCC,"InChI=1/C6H18N2Si/c1-5-7-9(3,4)8-6-2/h7-8H,5-6H2,1-4H3",C6H18N2Si,,,,,,NGAVXENYOVMGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.592,228-150-4,6145-73-9,Tris(2-chloropropyl) phosphate,tris(2-chloropropyl) phosphate,CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl,CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl,"InChI=1/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3",C9H18Cl3O4P,,,,,,GTRSAMFYSUBAGN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.598,228-157-2,6148-75-0,"Sodium 2,4,6-trimethylbenzenesulphonate","sodium 2,4,6-trimethylbenzenesulfonate",[Na+].Cc1cc(C)c(c(C)c1)S(=O)(=O)[O-],[Na+].Cc1cc(C)c(c(C)c1)S(=O)(=O)[O-],"InChI=1/C9H12O3S.Na/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;/h4-5H,1-3H3,(H,10,11,12);/q;+1/p-1",C9H12O3S.Na,,,,,,AOJUNZYQOYSGHT-UHFFFAOYSA-M,,,,,,,,,,,
100.025.621,228-182-9,6160-32-3,Streptomycin hydrochloride,"N,N'''-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine hydrochloride",Cl.CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O,Cl.CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O,"InChI=1/C21H39N7O12.ClH/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);1H",C21H39N7O12.3ClH,,,,,,OUPXGZWWSAGXEC-RMIBZTJPSA-N,,,,,,,,,,,
100.027.250,229-975-2,6874-60-8,Decylphosphonic acid,decylphosphonic acid,CCCCCCCCCCP(=O)(O)O,CCCCCCCCCCP(=O)(O)O,"InChI=1/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)",C10H23O3P,,,,,,DZQISOJKASMITI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.007,228-607-8,6304-26-3,N-ethylpyridine-2-ethylamine,N-ethyl-2-pyridin-2-ylethanamine,CCNCCc1ccccn1,CCNCCc1ccccn1,"InChI=1/C9H14N2/c1-2-10-8-6-9-5-3-4-7-11-9/h3-5,7,10H,2,6,8H2,1H3",C9H14N2,,,,,,IFZVQNMIQKLTKI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.014,228-615-1,6305-43-7,"1,4-dibromobutane-2,3-dione","1,4-dibromobutane-2,3-dione",BrCC(=O)C(=O)CBr,BrCC(=O)C(=O)CBr,InChI=1/C4H4Br2O2/c5-1-3(7)4(8)2-6/h1-2H2,C4H4Br2O2,,,,,,RZMOICJDRADLCT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.015,228-616-7,6305-90-4,"1,8-dichloro-4,5-dinitroanthraquinone","1,8-dichloro-4,5-dinitro-9,10-anthraquinone",[O-][N+](=O)c1ccc(Cl)c2C(=O)c3c(Cl)ccc(c3C(=O)c12)[N+](=O)[O-],[O-][N+](=O)c1ccc(Cl)c2C(=O)c3c(Cl)ccc(c3C(=O)c12)[N+](=O)[O-],InChI=1/C14H4Cl2N2O6/c15-5-1-3-7(17(21)22)11-9(5)13(19)10-6(16)2-4-8(18(23)24)12(10)14(11)20/h1-4H,C14H4Cl2N2O6,,,,,,OELAYHGIGDSWPY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.017,228-618-8,6/07/6306,Acenaphthen-1-ol,"1,2-dihydroacenaphthylen-1-ol",OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23,"InChI=1/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2",C12H10O,,,,,,MXUCIEHYJYRTLT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.022,228-624-0,6308-38-9,"6-methyl-1H,3H-pyrimidine-2,4-dithione","6-methylpyrimidine-2,4(1H,3H)-dithione",CC1=CC(=S)NC(=S)N1,CC1=CC(=S)NC(=S)N1,"InChI=1/C5H6N2S2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",C5H6N2S2,,,,,,CQOAJLIZQSKDFC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.023,228-625-6,6309-30-4,Tributylammonium chloride,"N,N-dibutylbutan-1-aminium chloride",[Cl-].CCCC[NH+](CCCC)CCCC,[Cl-].CCCC[NH+](CCCC)CCCC,"InChI=1/C12H27N.ClH/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H",C12H27N.ClH,,,,,,KLBOFRLEHJAXIU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.031,228-634-5,6310-21-0,2-tert-butylaniline,2-tert-butylaniline,CC(C)(C)c1ccccc1N,CC(C)(C)c1ccccc1N,"InChI=1/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3",C10H15N,,,,,,AEIOZWYBDBVCGW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.032,228-635-0,6310-59-4,Sodium 5-[bis[4-(dimethylamino)phenyl]methyl]-2-methoxybenzenesulphonate,sodium 5-{bis[4-(dimethylamino)phenyl]methyl}-2-methoxybenzenesulfonate,[Na+].COc1ccc(cc1S(=O)(=O)[O-])C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,[Na+].COc1ccc(cc1S(=O)(=O)[O-])C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,"InChI=1/C24H28N2O4S.Na/c1-25(2)20-11-6-17(7-12-20)24(18-8-13-21(14-9-18)26(3)4)19-10-15-22(30-5)23(16-19)31(27,28)29;/h6-16,24H,1-5H3,(H,27,28,29);/q;+1/p-1",C24H28N2O4S.Na,,,,,,WZZYVJUQOGXVNI-UHFFFAOYSA-M,,,,,,,,,,,
100.026.040,228-643-4,4/04/6315,Phenethyl 2-ethylbutyrate,2-phenylethyl 2-ethylbutanoate,CCC(CC)C(=O)OCCc1ccccc1,CCC(CC)C(=O)OCCc1ccccc1,"InChI=1/C14H20O2/c1-3-13(4-2)14(15)16-11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",C14H20O2,,,,,,DKEOOFKYPNZAAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.044,228-648-1,6315-96-4,1-(2-naphthyl)propan-1-one,1-(2-naphthyl)propan-1-one,CCC(=O)c1ccc2ccccc2c1,CCC(=O)c1ccc2ccccc2c1,"InChI=1/C13H12O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3",C13H12O,,,,,,QLYPHTMKMPIJNG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.049,228-653-9,6317-35-7,Ethyl pyrrolidine-1-propionate,ethyl 3-pyrrolidin-1-ylpropanoate,CCOC(=O)CCN1CCCC1,CCOC(=O)CCN1CCCC1,"InChI=1/C9H17NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h2-8H2,1H3",C9H17NO2,,,,,,MVPICKVDHDWCJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.053,228-658-6,6317-56-2,p-(phenylthio)benzyl alcohol,[4-(phenylsulfanyl)phenyl]methanol,OCc1ccc(Sc2ccccc2)cc1,OCc1ccc(Sc2ccccc2)cc1,"InChI=1/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2",C13H12OS,,,,,,PGOAWMRWDZJQTB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.056,228-661-2,6318-17-8,"9,10-dihydro-9,10-diphenylanthracene-9,10-diol","9,10-diphenyl-9,10-dihydroanthracene-9,10-diol",OC1(c2ccccc2)c3ccccc3C(O)(c4ccccc4)c5ccccc15,OC1(c2ccccc2)c3ccccc3C(O)(c4ccccc4)c5ccccc15,"InChI=1/C26H20O2/c27-25(19-11-3-1-4-12-19)21-15-7-9-17-23(21)26(28,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18,27-28H",C26H20O2,,,,,,RYFIDGIWTNANMO-UHFFFAOYSA-N,,,,,,,,,,,
100.029.149,232-064-2,7784-40-9,Lead hydrogen arsenate,-,[Pb+2].[O-][As]([O-])(O)=O,[Pb+2].[O-][As]([O-])(O)=O,"InChI=1/AsH3O4.Pb.2H/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;+4;;/p-2/rAsH3O4.H2Pb/c2-1(3,4)5;/h(H3,2,3,4,5);1H2/q;+4/p-2",AsH3O4.Pb,,,,,,UWRBYRMOUPAKLM-UHFFFAOYSA-L,,,,,,,,,,,
100.029.153,232-068-4,7784-45-4,Arsenic triiodide,arsenic(3+) triiodide,[I-].[I-].[I-].[AsH6+3],[I-].[I-].[I-].[AsH6+3],InChI=1/AsH5.3HI/h1H5;3*1H/q+3;;;/p-3,AsI3,,,,,,NHHSUKWHXHAGFE-UHFFFAOYSA-K,,,,,,,,,,,
100.029.160,232-076-8,7785-23-1,Silver bromide,silver(1+) bromide,[Br-].[Ag+],[Br-].[Ag+],InChI=1/Ag.BrH/h;1H/q+1;/p-1,AgBr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5514,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.160,ADZWSOLPGZMUMY-UHFFFAOYSA-M,,,,,,,,,,,
100.029.161,232-077-3,7785-26-4,(-)-pin-2(3)-ene,"2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",CC1=CCC2CC1C2(C)C,CC1=CCC2CC1C2(C)C,"InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14528,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.161,GRWFGVWFFZKLTI-UHFFFAOYSA-N,,,,,,,,,,,
100.029.166,232-083-6,7785-63-9,Pentyl 2-methylisocrotonate,pentyl 2-methylbut-2-enoate,CCCCCOC(=O)\\C(=C/C)\\C,CCCCCOC(=O)\C(=C/C)\C,"InChI=1/C10H18O2/c1-4-6-7-8-12-10(11)9(3)5-2/h5H,4,6-8H2,1-3H3",C10H18O2,,,,,,XJWDRSSGOHXOLQ-UITAMQMPSA-N,,,,,,,,,,,
100.025.609,228-169-8,6/06/6153,(E)-3-methylpent-2-en-4-yn-1-ol,3-methylpent-2-en-4-yn-1-ol,C\\C(=C/CO)\\C#C,C\C(=C/CO)\C#C,"InChI=1/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3",C6H8O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15997,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.609,ZSJHASYJQIRSLE-GQCTYLIASA-N,,,,,,,,,,,
100.025.612,228-172-4,6153-89-5,"5-phenyl-1,10-phenanthroline","5-phenyl-1,10-phenanthroline",c1ccc(cc1)c2cc3cccnc3c4ncccc24,c1ccc(cc1)c2cc3cccnc3c4ncccc24,InChI=1/C18H12N2/c1-2-6-13(7-3-1)16-12-14-8-4-10-19-17(14)18-15(16)9-5-11-20-18/h1-12H,C18H12N2,,,,,,QQEQHUHZBMUJET-UHFFFAOYSA-N,,,,,,,,,,,
100.025.614,228-175-0,6155-68-6,Zinc (S)-3-oxidopropionate,zinc bis(2-hydroxypropanoate),CC(O)C(=O)O[Zn]OC(=O)C(C)O,CC(O)C(=O)O[Zn]OC(=O)C(C)O,"InChI=1/2C3H6O3.Zn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C3H6O3.Zn,,,,,,CANRESZKMUPMAE-UHFFFAOYSA-L,,,,,,,,,,,
100.014.121,215-532-0,1329-99-3,"Isopropylmethylcyclohexane, tetradehydro derivative",1-isopropyl-4-methylcyclohexane,CC(C)C1CCC(C)CC1,CC(C)C1CCC(C)CC1,"InChI=1/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3",C10H16,,,,,,CFJYNSNXFXLKNS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.130,215-542-5,1330-61-6,Isodecyl acrylate,8-methylnonyl acrylate,CC(C)CCCCCCCOC(=O)C=C,CC(C)CCCCCCCOC(=O)C=C,"InChI=1/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3",C13H24O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11766,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.130,LVGFPWDANALGOY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.134,215-546-7,1330-75-2,Diisooctyl fumarate,bis(6-methylheptyl) but-2-enedioate,CC(C)CCCCCOC(=O)C=CC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)C=CC(=O)OCCCCCC(C)C,"InChI=1/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3",C20H36O4,,,,,,QIGLLCHDIZAZFE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.138,215-550-9,1330-84-3,(palmitoyloxy)-L-ascorbic acid,"2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl palmitate (non-preferred name)",CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O,"InChI=1/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3",C22H38O7,,,,,,QAQJMLQRFWZOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.146,215-559-8,1331-61-9,Ammonium dodecylbenzenesulphonate,ammonium 2-dodecylbenzenesulfonate,[NH4+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C18H30O3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1H3",C18H30O3S.H3N,,,,,,ZLWPAELISNYYGM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.147,215-560-3,1331-71-1,Aluminum sodium fluoride,-,[F-].[Na+].[Al+3],[F-].[Na+].[Al+3],InChI=1/Al.FH.Na/h;1H;/q+3;;+1/p-1,-,,,,,,ZPWIRWBTVJZZAG-UHFFFAOYSA-M,,,,,,,,,,,
100.014.157,215-571-3,1332-62-3,Manganese trihydroxide,manganese(3+) trihydroxide,[OH-].[OH-].[OH-].[Mn+3],[OH-].[OH-].[OH-].[Mn+3],InChI=1/Mn.3H2O/h;3*1H2/q+3;;;/p-3,H3MnO3,,,,,,ACNRYARPIFBOEZ-UHFFFAOYSA-K,,,,,,,,,,,
100.014.163,215-578-1,1333-07-9,Toluenesulphonamide,2-methylbenzenesulfonamide,Cc1ccccc1S(=O)(=O)N,Cc1ccccc1S(=O)(=O)N,"InChI=1/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",C7H9NO2S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14306,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.163,YCMLQMDWSXFTIF-UHFFFAOYSA-N,Positive/Negative,EQ360501|EQ360502|EQ360503|EQ360504|EQ360505|EQ360506|EQ360507|EQ360508|EQ360509,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,91.0542:119.0604:109.0648|91.0542:119.0604:109.0648|91.0542:119.0604:109.0648|91.0542:109.0648:119.0604|91.0542:65.0386:119.0604|91.0542:65.0386:63.0229|65.0386:91.0542:63.0229|65.0386:91.0542:63.0229|65.0386:63.0229:51.023,Eawag,EQ360551|EQ360552|EQ360553|EQ360554|EQ360555|EQ360556|EQ360557|EQ360558|EQ360559,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,170.0281:106.0662:78.973|170.0281:106.0662:79.9812|170.0282:106.0662:79.9812|170.0282:78.9734:79.9812|78.9733:93.9604:79.9812|78.9733:93.9604:61.9706|63.9624:61.9706:78.9733|63.9624:61.9706:78.9733|63.9624:61.9706:78.9733,Eawag
100.028.797,231-676-7,7681-78-9,Mebezonium iodide,"4,4'-methylenebis(N,N,N-trimethylcyclohexanaminium) diiodide",[I-].[I-].C[N+](C)(C)C1CCC(CC2CCC(CC2)[N+](C)(C)C)CC1,[I-].[I-].C[N+](C)(C)C1CCC(CC2CCC(CC2)[N+](C)(C)C)CC1,"InChI=1/C19H40N2.2HI/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;;/h16-19H,7-15H2,1-6H3;2*1H/q+2;;/p-2",C19H40N2.2I,,,,,,CWPAAKNARYMZLM-UHFFFAOYSA-L,,,,,,,,,,,
100.028.800,231-679-3,7681-82-5,Sodium iodide,sodium iodide,[Na+].[I-],[Na+].[I-],InChI=1/HI.Na/h1H;/q;+1/p-1,INa,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5847,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.800,FVAUCKIRQBBSSJ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.802,231-681-4,7681-91-6,Trimethoxyoxovanadium,tris(methanolato)(oxo)vanadium,CO[V](=O)(OC)OC,CO[V](=O)(OC)OC,"InChI=1/3CH3O.O.V/c3*1-2;;/h3*1H3;;/q3*-1;;+3/rC3H9O4V/c1-5-8(4,6-2)7-3/h1-3H3",C3H9O4V,,,,,,OJFKTVJFMMYQCF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.809,231-689-8,7685-44-1,DL-2-aminopent-4-enoic acid,2-aminopent-4-enoic acid,NC(CC=C)C(=O)O,NC(CC=C)C(=O)O,"InChI=1/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)",C5H9NO2,,,,,,WNNNWFKQCKFSDK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.812,231-692-4,7685-70-3,N-[(o-nitrophenyl)thio]-L-threonine,N-[(2-nitrophenyl)sulfanyl]threonine,CC(O)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O,CC(O)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O,"InChI=1/C10H12N2O5S/c1-6(13)9(10(14)15)11-18-8-5-3-2-4-7(8)12(16)17/h2-6,9,11,13H,1H3,(H,14,15)",C10H12N2O5S,,,,,,QJMPRIHAPGGFMA-HSOSERFQSA-N,,,,,,,,,,,
100.023.820,226-202-0,5326-27-2,2-hydrazinobenzoic acid,2-hydrazinobenzoic acid,NNc1ccccc1C(=O)O,NNc1ccccc1C(=O)O,"InChI=1/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h1-4,9H,8H2,(H,10,11)",C7H8N2O2,,,,,,KFGVDCBVGNMCJC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.822,226-204-1,5326-38-5,2-iodo-5-nitrotoluene,1-iodo-2-methyl-4-nitrobenzene,Cc1cc(ccc1I)[N+](=O)[O-],Cc1cc(ccc1I)[N+](=O)[O-],"InChI=1/C7H6INO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3",C7H6INO2,,,,,,ARJHCXYRCLMLQN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.832,226-215-1,5328-63-2,Methyl ß-D-arabinopyranoside,methyl beta-D-arabinopyranoside,CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O,CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3",C6H12O5,,,,,,ZBDGHWFPLXXWRD-ARQDHWQXSA-N,,,,,,,,,,,
100.023.833,226-216-7,5328-97-2,Ammonium p-hydroxybenzenesulphonate,ammonium 4-hydroxybenzenesulfonate,[NH4+].Oc1ccc(cc1)S(=O)(=O)[O-],[NH4+].Oc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H6O4S.H3N/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);1H3",C6H6O4S.H3N,,,,,,AXUYHJMSEJPTPI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.838,226-221-4,5330-17-6,2-butoxyethyl chloroacetate,2-butoxyethyl chloroacetate,CCCCOCCOC(=O)CCl,CCCCOCCOC(=O)CCl,"InChI=1/C8H15ClO3/c1-2-3-4-11-5-6-12-8(10)7-9/h2-7H2,1H3",C8H15ClO3,,,,,,RXRRMKNUVQKPIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.843,226-227-7,5331-23-7,"3,4-bis(4-methoxyphenyl)hexan-3-ol","3,4-bis(4-methoxyphenyl)hexan-3-ol",CCC(c1ccc(OC)cc1)C(O)(CC)c2ccc(OC)cc2,CCC(c1ccc(OC)cc1)C(O)(CC)c2ccc(OC)cc2,"InChI=1/C20H26O3/c1-5-19(15-7-11-17(22-3)12-8-15)20(21,6-2)16-9-13-18(23-4)14-10-16/h7-14,19,21H,5-6H2,1-4H3",C20H26O3,,,,,,SVTHZCYFDSJXPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.845,226-229-8,5331-37-3,2-(butylthio)ethanol,2-(butylsulfanyl)ethanol,CCCCSCCO,CCCCSCCO,"InChI=1/C6H14OS/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",C6H14OS,,,,,,ARRJJHJQSNPJFV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.849,226-234-5,5331-77-1,Sodium docosanoate,sodium docosanoate,[Na+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C22H44O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1",C22H44O2.Na,,,,,,CVYDEWKUJFCYJO-UHFFFAOYSA-M,,,,,,,,,,,
100.023.850,226-235-0,5331-91-9,5-chloro-2-mercaptobenzothiazole,"5-chloro-1,3-benzothiazole-2-thiol",Sc1nc2cc(Cl)ccc2s1,Sc1nc2cc(Cl)ccc2s1,"InChI=1/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",C7H4ClNS2,,,,,,NKYDKCVZNMNZCM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.855,226-240-8,5332-41-2,"Sodium hydrogen 3-aminonaphthalene-2,7-disulphonate","sodium hydrogen 3-aminonaphthalene-2,7-disulfonate",[Na+].Nc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2",C10H9NO6S2.Na,,,,,,SBRWTQONIUBBNF-UHFFFAOYSA-L,,,,,,,,,,,
100.023.856,226-241-3,5332-73-0,3-methoxypropylamine,3-methoxypropan-1-amine,COCCCN,COCCCN,"InChI=1/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3",C4H11NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13449,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.856,FAXDZWQIWUSWJH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.857,226-242-9,5333-42-6,2-octyldodecan-1-ol,2-octyldodecan-1-ol,CCCCCCCCCCC(CO)CCCCCCCC,CCCCCCCCCCC(CO)CCCCCCCC,"InChI=1/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3",C20H42O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5814,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.857,LEACJMVNYZDSKR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.858,226-243-4,5333-44-8,2-heptylundecanol,2-heptylundecan-1-ol,CCCCCCCCCC(CO)CCCCCCC,CCCCCCCCCC(CO)CCCCCCC,"InChI=1/C18H38O/c1-3-5-7-9-10-12-14-16-18(17-19)15-13-11-8-6-4-2/h18-19H,3-17H2,1-2H3",C18H38O,,,,,,YEGNTQBFSQBGJT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.862,226-248-1,5333-86-8,Ethyl iminobenzoate hydrochloride,ethyl benzenecarboximidoate,CCOC(=N)c1ccccc1,CCOC(=N)c1ccccc1,"InChI=1/C9H11NO/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3",C9H11NO.ClH,,,,,,CQBWPUJYGMSGDU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.863,226-249-7,5333-88-0,Ethyl 2-bromoheptanoate,ethyl 2-bromoheptanoate,CCCCCC(Br)C(=O)OCC,CCCCCC(Br)C(=O)OCC,"InChI=1/C9H17BrO2/c1-3-5-6-7-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3",C9H17BrO2,,,,,,GNCLPIAYAPQPOU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.008,215-408-6,1325-85-5,"a,a-bis[4-(dimethylamino)phenyl]-4-(methylphenylamino)naphthalene-1-methanol",bis[4-(dimethylamino)phenyl]{4-[methyl(phenyl)amino]-1-naphthyl}methanol,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(N(C)c4ccccc4)c5ccccc35,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(N(C)c4ccccc4)c5ccccc35,"InChI=1/C34H35N3O/c1-35(2)27-19-15-25(16-20-27)34(38,26-17-21-28(22-18-26)36(3)4)32-23-24-33(31-14-10-9-13-30(31)32)37(5)29-11-7-6-8-12-29/h6-24,38H,1-5H3",C34H35N3O,,,,,,SOCBTLQQCNFNIE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.525,225-877-9,5131-60-2,"4-chlorobenzene-1,3-diamine","4-chlorobenzene-1,3-diamine",Nc1ccc(Cl)c(N)c1,Nc1ccc(Cl)c(N)c1,"InChI=1/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2",C6H7ClN2,,,,,,ZWUBBMDHSZDNTA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.526,225-878-4,5131-66-8,1-butoxypropan-2-ol,1-butoxypropan-2-ol,CCCCOCC(C)O,CCCCOCC(C)O,"InChI=1/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3",C7H16O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14287,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.526,RWNUSVWFHDHRCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.252,229-977-3,6/12/6876,trans-1-methyl-4-(1-methylvinyl)cyclohexene,4-isopropenyl-1-methylcyclohexene,CC(=C)C1CCC(=CC1)C,CC(=C)C1CCC(=CC1)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C10H16,,,,,,XMGQYMWWDOXHJM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.254,229-979-4,6876-23-9,"trans-1,2-dimethylcyclohexane","1,2-dimethylcyclohexane",C[C@H]1CCCC[C@@H]1C,C[C@H]1CCCC[C@@H]1C,"InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3",C8H16,,,,,,KVZJLSYJROEPSQ-YUMQZZPRSA-N,,,,,,,,,,,
100.027.255,229-981-5,6876-37-5,Methylammonium bromide,methanaminium bromide,[Br-].C[NH3+],[Br-].C[NH3+],"InChI=1/CH5N.BrH/c1-2;/h2H2,1H3;1H",CH5N.BrH,,,,,,ISWNAMNOYHCTSB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.122,215-533-6,1330-16-1,"Pinane, didehydro derivative","4,6,6-trimethylbicyclo[3.1.1]hept-2-ene",CC1C=CC2CC1C2(C)C,CC1C=CC2CC1C2(C)C,"InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4-5,7-9H,6H2,1-3H3",C10H16,,,,,,XJBOZKOSICCONT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.136,215-548-8,1330-78-5,Tris(methylphenyl) phosphate,tris(4-methylphenyl) phosphate,Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3,Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3,"InChI=1/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3",C21H21O4P,,,,,,BOSMZFBHAYFUBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.141,215-554-0,1330-96-7,Isodecyl octyl phthalate,8-methylnonyl octyl phthalate,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,"InChI=1/C26H42O4/c1-4-5-6-7-10-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-11-8-9-12-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3",C26H42O4,,,,,,UXLBXTIBYMXRNX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.152,215-566-6,1332-07-6,"Boric acid, zinc salt",zinc hydrogen borate,[Zn+2].OB([O-])[O-],[Zn+2].OB([O-])[O-],InChI=1/BHO3.Zn/c2-1(3)4;/h2H;/q-2;+2,-,,,,,,BWZINGCWBBCKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.154,215-568-7,1332-14-5,"Sulfuric acid, copper(2+) salt, basic",copper(2+) sulfate,[Cu+2].[O-]S(=O)(=O)[O-],[Cu+2].[O-]S(=O)(=O)[O-],"InChI=1/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",-,,,,,,ARUVKPQLZAKDPS-UHFFFAOYSA-L,,,,,,,,,,,
100.028.804,231-684-0,7682-45-3,"1-[1-[[(benzyloxy)carbonyl]amino]-2,2,2-trifluoroethyl]-N-(tert-butoxycarbonyl)-L-histidine","1-(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoroethyl)-N-(tert-butoxycarbonyl)-L-histidine",CC(C)(C)OC(=O)N[C@@H](Cc1cn(cn1)C(NC(=O)OCc2ccccc2)C(F)(F)F)C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1cn(cn1)C(NC(=O)OCc2ccccc2)C(F)(F)F)C(=O)O,"InChI=1/C21H25F3N4O6/c1-20(2,3)34-19(32)26-15(16(29)30)9-14-10-28(12-25-14)17(21(22,23)24)27-18(31)33-11-13-7-5-4-6-8-13/h4-8,10,12,15,17H,9,11H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)",C21H25F3N4O6,,,,,,MXBLBDHOSUWYDH-MYJWUSKBSA-N,,,,,,,,,,,
100.028.805,231-685-6,7682-58-8,"4,5-diamino-2-fluoro-5-oxovaleric acid hydrochloride",4-fluoro-alpha-glutamine hydrochloride,Cl.NC(CC(F)C(=O)O)C(=O)N,Cl.NC(CC(F)C(=O)O)C(=O)N,"InChI=1/C5H9FN2O3.ClH/c6-2(5(10)11)1-3(7)4(8)9;/h2-3H,1,7H2,(H2,8,9)(H,10,11);1H",C5H9FN2O3.ClH,,,,,,XJCJLRPTLDHZJI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.807,231-687-7,7683-59-2,Isoprenaline,"4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol",CC(C)NCC(O)c1ccc(O)c(O)c1,CC(C)NCC(O)c1ccc(O)c(O)c1,"InChI=1/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3",C11H17NO3,,,,,,JWZZKOKVBUJMES-UHFFFAOYSA-N,,,,,,,,,,,
100.028.815,231-696-6,4/09/7687,"N,N-dimethyl-4-(2-pyridylazo)aniline 1-oxide","N,N-dimethyl-4-[(1-oxidopyridin-2-yl)diazenyl]aniline",CN(C)c1ccc(cc1)N=Nc2ccccn2=O,CN(C)c1ccc(cc1)N=Nc2ccccn2=O,"InChI=1/C13H14N4O/c1-16(2)12-8-6-11(7-9-12)14-15-13-5-3-4-10-17(13)18/h3-10H,1-2H3",C13H14N4O,,,,,,LVGWWPXLMKGCHW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.816,231-697-1,7688-21-3,(Z)-hex-2-ene,hex-2-ene,CCC\\C=C/C,CCC\C=C/C,"InChI=1/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3",C6H12,,,,,,RYPKRALMXUUNKS-HYXAFXHYSA-N,,,,,,,,,,,
100.028.817,231-698-7,7688-25-7,"Butane-1,4-diylbis[diphenylphosphine]","butane-1,4-diylbis(diphenylphosphine)",C(CCP(c1ccccc1)c2ccccc2)CP(c3ccccc3)c4ccccc4,C(CCP(c1ccccc1)c2ccccc2)CP(c3ccccc3)c4ccccc4,"InChI=1/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2",C28H28P2,,,,,,BCJVBDBJSMFBRW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.825,231-706-9,7693-46-1,4-nitrophenyl chloroformate,4-nitrophenyl chlorocarbonate,[O-][N+](=O)c1ccc(OC(=O)Cl)cc1,[O-][N+](=O)c1ccc(OC(=O)Cl)cc1,InChI=1/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H,C7H4ClNO4,,,,,,NXLNNXIXOYSCMB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.827,231-709-5,7694-45-3,4-isopropenylcyclohex-1-enecarboxylic acid,4-isopropenylcyclohex-1-ene-1-carboxylic acid,CC(=C)C1CCC(=CC1)C(=O)O,CC(=C)C1CCC(=CC1)C(=O)O,"InChI=1/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)",C10H14O2,,,,,,CDSMSBUVCWHORP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.168,232-085-7,7785-65-1,Pentyl 2-methylcrotonate,pentyl 2-methylbut-2-enoate,CCCCCOC(=O)\\C(=C\\C)\\C,CCCCCOC(=O)\C(=C\C)\C,"InChI=1/C10H18O2/c1-4-6-7-8-12-10(11)9(3)5-2/h5H,4,6-8H2,1-3H3",C10H18O2,,,,,,XJWDRSSGOHXOLQ-WEVVVXLNSA-N,,,,,,,,,,,
100.029.173,232-090-4,7785-88-8,"Phosphoric acid, aluminium sodium salt",-,[Na+].[Al+3].[O-]P(=O)([O-])[O-],[Na+].[Al+3].[O-]P(=O)([O-])[O-],"InChI=1/Al.Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+3;+1;/p-3",Al.xH3O4P.xNa,,,,,,GHHVYBBTKTVOPA-UHFFFAOYSA-K,,,,,,,,,,,
100.029.175,232-093-0,7786-29-0,2-methyloctanal,2-methyloctanal,CCCCCCC(C)C=O,CCCCCCC(C)C=O,"InChI=1/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3",C9H18O,,,,,,ZKPFRIDJMMOODR-UHFFFAOYSA-N,,,,,,,,,,,
100.029.178,232-096-7,7786-36-9,Pentahydroxyarsorane,pentahydroxyarsorane,O[As](O)(O)(O)O,O[As](O)(O)(O)O,"InChI=1/AsH5O5/c2-1(3,4,5)6/h2-6H",AsH5O5,,,,,,SISCWSNPXSMBJN-UHFFFAOYSA-N,,,,,,,,,,,
100.029.179,232-097-2,7786-44-9,"Nona-2,6-dien-1-ol","nona-2,6-dien-1-ol",CCC=CCCC=CCO,CCC=CCCC=CCO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3",C9H16O,,,,,,AMXYRHBJZOVHOL-UHFFFAOYSA-N,,,,,,,,,,,
100.029.180,232-098-8,7786-47-2,Nonyl isovalerate,nonyl 3-methylbutanoate,CCCCCCCCCOC(=O)CC(C)C,CCCCCCCCCOC(=O)CC(C)C,"InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3",C14H28O2,,,,,,JHKZVDVMXZGMOX-UHFFFAOYSA-N,,,,,,,,,,,
100.029.182,232-100-7,7786-58-5,Octyl isovalerate,octyl 3-methylbutanoate,CCCCCCCCOC(=O)CC(C)C,CCCCCCCCOC(=O)CC(C)C,"InChI=1/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3",C13H26O2,,,,,,FUBGRVHGQADOJI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.629,228-191-8,6161-83-7,2-(3-chlorophenoxy)ethanol,2-(3-chlorophenoxy)ethanol,OCCOc1cccc(Cl)c1,OCCOc1cccc(Cl)c1,"InChI=1/C8H9ClO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5H2",C8H9ClO2,,,,,,GARMQVNIPCKVOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.630,228-192-3,6163-35-5,"2,3,4,6-tetra-O-methyl-a-D-glucose","2,3,4,6-tetra-O-methyl-D-glucose",COC[C@@H](O)[C@@H](OC)[C@H](OC)[C@@H](OC)C=O,COC[C@@H](O)[C@@H](OC)[C@H](OC)[C@@H](OC)C=O,"InChI=1/C10H20O6/c1-13-6-7(12)9(15-3)10(16-4)8(5-11)14-2/h5,7-10,12H,6H2,1-4H3",C10H20O6,,,,,,LMWNQPUYOLOJQP-UTINFBMNSA-N,,,,,,,,,,,
100.025.631,228-193-9,6163-58-2,Tris(2-methylphenyl)phosphine,tris(2-methylphenyl)phosphine,Cc1ccccc1P(c2ccccc2C)c3ccccc3C,Cc1ccccc1P(c2ccccc2C)c3ccccc3C,"InChI=1/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3",C21H21P,,,,,,COIOYMYWGDAQPM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.637,228-200-5,6164-98-3,Chlordimeform,"N'-(4-chloro-2-methylphenyl)-N,N-dimethylimidoformamide",Clc1cc(C)c(N=CN(C)C)cc1,Clc1cc(C)c(N=CN(C)C)cc1,"InChI=1/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3",C10H13ClN2,,,,,,STUSTWKEFDQFFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.644,228-207-3,6168-72-5,DL-2-aminopropan-1-ol,2-aminopropan-1-ol,CC(N)CO,CC(N)CO,"InChI=1/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3",C3H9NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17875,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.644,BKMMTJMQCTUHRP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.645,228-208-9,6168-76-9,Crotetamide,N-[1-(dimethylcarbamoyl)propyl]-N-ethylbut-2-enamide,CN(C)C(=O)C(CC)N(CC)C(=O)C=CC,CN(C)C(=O)C(CC)N(CC)C(=O)C=CC,"InChI=1/C12H22N2O2/c1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9-10H,7-8H2,1-5H3",C12H22N2O2,,,,,,LSAMUAYPDHUBQD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.648,228-212-0,6168-88-3,"cis-2,2'-(1-methylpiperidine-2,6-diyl)bis[1-phenylethan-1-one] hydrochloride","2,2'-(1-methylpiperidine-2,6-diyl)bis(1-phenylethanone) hydrochloride",Cl.CN1C(CC(=O)c2ccccc2)CCCC1CC(=O)c3ccccc3,Cl.CN1C(CC(=O)c2ccccc2)CCCC1CC(=O)c3ccccc3,"InChI=1/C22H25NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-20H,8,13-16H2,1H3;1H",C22H25NO2.ClH,,,,,,TVXBKVYKFXLEAI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.651,228-215-7,6170-23-6,2-aminopropan-1-ol hydrochloride,2-aminopropan-1-ol hydrochloride,Cl.CC(N)CO,Cl.CC(N)CO,"InChI=1/C3H9NO.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H",C3H9NO.ClH,,,,,,RPDODBFXWRWFAH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.656,228-220-4,6175-45-7,"2,2-diethoxy-1-phenylethan-1-one","2,2-diethoxy-1-phenylethanone",CCOC(OCC)C(=O)c1ccccc1,CCOC(OCC)C(=O)c1ccccc1,"InChI=1/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3",C12H16O3,,,,,,PIZHFBODNLEQBL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.658,228-223-0,6177-60-2,"2,3-epoxypropyl methanesulphonate",oxiran-2-ylmethyl methanesulfonate,CS(=O)(=O)OCC1CO1,CS(=O)(=O)OCC1CO1,"InChI=1/C4H8O4S/c1-9(5,6)8-3-4-2-7-4/h4H,2-3H2,1H3",C4H8O4S,,,,,,NCGARFWFKHNMJK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.661,228-226-7,6178-46-7,"Butyl 3,4,5-trimethoxybenzoate","butyl 3,4,5-trimethoxybenzoate",CCCCOC(=O)c1cc(OC)c(OC)c(OC)c1,CCCCOC(=O)c1cc(OC)c(OC)c(OC)c1,"InChI=1/C14H20O5/c1-5-6-7-19-14(15)10-8-11(16-2)13(18-4)12(9-10)17-3/h8-9H,5-7H2,1-4H3",C14H20O5,,,,,,GZRFAUJVAXSXMI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.822,231-703-2,7693-13-2,"Citric acid, calcium salt",calcium 2-(carboxymethyl)-2-hydroxysuccinate,[Ca+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],[Ca+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2",C6H8O7.xCa,,,,,,PFKGDYCESFRMAP-UHFFFAOYSA-L,,,,,,,,,,,
100.028.826,231-707-4,7693-52-9,4-bromo-2-nitrophenol,4-bromo-2-nitrophenol,Oc1ccc(Br)cc1[N+](=O)[O-],Oc1ccc(Br)cc1[N+](=O)[O-],"InChI=1/C6H4BrNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H",C6H4BrNO3,,,,,,CUTFAPGINUFNQM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.837,231-720-5,7700-17-6,Crotoxyphos,1-phenylethyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate,O=P(OC)(OC)OC(C)=CC(=O)OC(C)c1ccccc1,O=P(OC)(OC)OC(C)=CC(=O)OC(C)c1ccccc1,"InChI=1/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3",C14H19O6P,,,,,,XXXSILNSXNPGKG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.839,231-722-6,7704-34-9,Sulfur,-,S,S,InChI=1/H2S/h1H2,S,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15564,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.839,RWSOTUBLDIXVET-UHFFFAOYSA-N,,,,,,,,,,,
100.028.841,231-724-7,7704-71-4,"Fumaric acid, magnesium salt",magnesium but-2-enedioate,[Mg+2].[O-]C(=O)\\C=C\\C(=O)[O-],[Mg+2].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.Mg/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2",C4H4O4.xMg,,,,,,QUIOHQITLKCGNW-TYYBGVCCSA-L,,,,,,,,,,,
100.028.850,231-734-1,7709-17-3,N-(2-hydroxyethyl)-N-[2-(stearoylamino)ethyl]stearamide,N-(2-hydroxyethyl)-N-[2-(stearoylamino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)41-35-36-42(37-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-38H2,1-2H3,(H,41,44)",C40H80N2O3,,,,,,BUXIQCHPJNBMRH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.851,231-735-7,7712-50-7,Myrtecaine,"2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethoxy]-N,N-diethylethanamine",CCN(CC)CCOCCC1=CCC2CC1C2(C)C,CCN(CC)CCOCCC1=CCC2CC1C2(C)C,"InChI=1/C17H31NO/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4/h7,15-16H,5-6,8-13H2,1-4H3",C17H31NO,,,,,,BZRYYBWNOUALTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.859,231-744-6,7718-98-1,Vanadium trichloride,-,[Cl-].[Cl-].[Cl-].[V+2],[Cl-].[Cl-].[Cl-].[V+2],InChI=1/3ClH.V/h3*1H;/q;;;+2/p-3,Cl3V,,,,,,BYTLEKZCNYKWQP-UHFFFAOYSA-K,,,,,,,,,,,
100.028.861,231-746-7,7719-02-0,Dichloro(phenyl)vinylsilane,dichloro(phenyl)vinylsilane,Cl[Si](Cl)(C=C)c1ccccc1,Cl[Si](Cl)(C=C)c1ccccc1,"InChI=1/C8H8Cl2Si/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2",C8H8Cl2Si,,,,,,QDASGLPLQWLMSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.862,231-747-2,1/03/7719,Allyldichlorophenylsilane,allyl(dichloro)phenylsilane,Cl[Si](Cl)(CC=C)c1ccccc1,Cl[Si](Cl)(CC=C)c1ccccc1,"InChI=1/C9H10Cl2Si/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2",C9H10Cl2Si,,,,,,IGFFTOVGRACDBL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.870,231-756-1,5/07/7721,Magnesium di(phenolate),magnesium bisphenolate,[Mg+2].[O-]c1ccccc1.[O-]c2ccccc2,[Mg+2].[O-]c1ccccc1.[O-]c2ccccc2,"InChI=1/2C6H6O.Mg/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2",C6H6O.1/2Mg,,,,,,KRPXAHXWPZLBKL-UHFFFAOYSA-L,,,,,,,,,,,
100.028.871,231-757-7,7721-14-4,Ammonium linoleate,"ammonium octadeca-9,12-dienoate",[NH4+].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[NH4+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H32O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1H3",C18H32O2.H3N,,,,,,KQLYFVFFPVJGRM-NBTZWHCOSA-N,,,,,,,,,,,
100.028.873,231-759-8,7721-62-2,"4,5-dimethoxy-2-methylbenzaldehyde","4,5-dimethoxy-2-methylbenzaldehyde",COc1cc(C)c(C=O)cc1OC,COc1cc(C)c(C=O)cc1OC,"InChI=1/C10H12O3/c1-7-4-9(12-2)10(13-3)5-8(7)6-11/h4-6H,1-3H3",C10H12O3,,,,,,RMIZEUOAFVZZJG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.874,231-760-3,7722-64-7,Potassium permanganate,potassium oxido(trioxo)manganese,[K+].[O-][Mn](=O)(=O)=O,[K+].[O-][Mn](=O)(=O)=O,"InChI=1/K.Mn.4O/q+1;;;;;-1/rK.MnO4/c;2-1(3,4)5/q+1;-1",HMnO4.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14531,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.874,VZJVWSHVAAUDKD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.626,225-988-2,5202-25-5,"(1R*,2S*,5E,9Z)-5,9-cyclododecadien-1,2-diol","cyclododeca-5,9-diene-1,2-diol",OC1CC\\C=C/CC\\C=C\\CCC1O,OC1CC\C=C/CC\C=C\CCC1O,"InChI=1/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-14H,1-2,7-10H2",C12H20O2,,,,,,BHYILZSOXKSYCF-CIIODKQPSA-N,,,,,,,,,,,
100.023.629,225-991-9,5202-86-8,N-(4-chloro-2-methylphenyl)acetamide,N-(4-chloro-2-methylphenyl)acetamide,CC(=O)Nc1ccc(Cl)cc1C,CC(=O)Nc1ccc(Cl)cc1C,"InChI=1/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)",C9H10ClNO,,,,,,WMHHXYOPEQARIN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.636,225-999-2,5205-34-5,Decan-5-ol,decan-5-ol,CCCCCC(O)CCCC,CCCCCC(O)CCCC,"InChI=1/C10H22O/c1-3-5-7-9-10(11)8-6-4-2/h10-11H,3-9H2,1-2H3",C10H22O,,,,,,SZMNDOUFZGODBR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.532,225-885-2,5136-47-0,"N,N'-methylenebishexadecan-1-amide","N,N'-methylenedihexadecanamide",CCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCC,"InChI=1/C33H66N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(36)34-31-35-33(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H,34,36)(H,35,37)",C33H66N2O2,,,,,,ISKXQFPGZNHRQV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.534,225-887-3,5136-53-8,"1,2,3-tris(2,3-epoxypropoxy)benzene","2,2',2''-[benzene-1,2,3-triyltris(oxymethylene)]trioxirane",C(Oc1cccc(OCC2CO2)c1OCC3CO3)C4CO4,C(Oc1cccc(OCC2CO2)c1OCC3CO3)C4CO4,"InChI=1/C15H18O6/c1-2-13(19-7-10-4-16-10)15(21-9-12-6-18-12)14(3-1)20-8-11-5-17-11/h1-3,10-12H,4-9H2",C15H18O6,,,,,,CAXSADPQQPXXTP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.545,225-899-9,5138-86-3,2-ethylbutyl methacrylate,2-ethylbutyl methacrylate,CCC(CC)COC(=O)C(=C)C,CCC(CC)COC(=O)C(=C)C,"InChI=1/C10H18O2/c1-5-9(6-2)7-12-10(11)8(3)4/h9H,3,5-7H2,1-2,4H3",C10H18O2,,,,,,CHNGPLVDGWOPMD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.546,225-900-2,5138-90-9,Sodium 4-chlorobenzenesulphonate,sodium 4-chlorobenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(Cl)cc1,[Na+].[O-]S(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C6H5ClO3S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1",C6H5ClO3S.Na,,,,,,XLKHCFJHGIAKFX-UHFFFAOYSA-M,,,,,,,,,,,
100.023.555,225-910-7,5143-30-6,4-methylpentyl acrylate,4-methylpentyl acrylate,CC(C)CCCOC(=O)C=C,CC(C)CCCOC(=O)C=C,"InChI=1/C9H16O2/c1-4-9(10)11-7-5-6-8(2)3/h4,8H,1,5-7H2,2-3H3",C9H16O2,,,,,,BDMYQVMQTKUZNB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.559,225-914-9,5144-42-3,L-ornithine 2-oxoglutarate (2:1),-,NCCC[C@H](N)C(=O)O.NCCC[C@H](N)C(=O)O.[O-]C(=O)CCC(=O)C(=O)[O-],NCCC[C@H](N)C(=O)O.NCCC[C@H](N)C(=O)O.[O-]C(=O)CCC(=O)C(=O)[O-],"InChI=1/2C5H12N2O2.C5H6O5/c2*6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h2*4H,1-3,6-7H2,(H,8,9);1-2H2,(H,7,8)(H,9,10)/p-2",C5H12N2O2.1/2C5H6O5,,,,,,MXZWEWUFDLGQKZ-SCGRZTRASA-L,,,,,,,,,,,
100.023.560,225-915-4,5144-52-5,Naphazoline nitrate,"2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole nitrate",O[N+](=O)[O-].C(C1=NCCN1)c2cccc3ccccc23,O[N+](=O)[O-].C(C1=NCCN1)c2cccc3ccccc23,"InChI=1/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)",C14H14N2.HNO3,,,,,,ZAHXYMFVNNUHCP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.574,225-931-1,5157-75-5,Dichloromethyloctadecylsilane,(dichloromethyl)(octadecyl)silane,CCCCCCCCCCCCCCCCCC[SiH2]C(Cl)Cl,CCCCCCCCCCCCCCCCCC[SiH2]C(Cl)Cl,"InChI=1/C19H40Cl2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h19H,2-18,22H2,1H3",C19H40Cl2Si,,,,,,XUTRCXBCOMJKEX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.242,214-566-3,1151-14-0,2-(4-ethylbenzoyl)benzoic acid,2-(4-ethylbenzoyl)benzoic acid,CCc1ccc(cc1)C(=O)c2ccccc2C(=O)O,CCc1ccc(cc1)C(=O)c2ccccc2C(=O)O,"InChI=1/C16H14O3/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16(18)19/h3-10H,2H2,1H3,(H,18,19)",C16H14O3,,,,,,JZFDKGFWNSQAHU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.248,214-573-1,1153-51-1,5a-androst-16-en-3a-ol,androst-16-en-3-ol,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2,"InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3",C19H30O,,,,,,KRVXMNNRSSQZJP-PHFHYRSDSA-N,,,,,,,,,,,
100.013.252,214-577-3,1154-77-4,"2',4'-dimethoxychalcone","1-(2,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one",COc1ccc(C(=O)\\C=C\\c2ccccc2)c(OC)c1,COc1ccc(C(=O)\C=C\c2ccccc2)c(OC)c1,"InChI=1/C17H16O3/c1-19-14-9-10-15(17(12-14)20-2)16(18)11-8-13-6-4-3-5-7-13/h3-12H,1-2H3",C17H16O3,,,,,,ZRDCNUALRUCCPA-DHZHZOJOSA-N,,,,,,,,,,,
100.013.267,214-594-6,1159-03-1,"5-(3-dimethylaminopropyl)-10,11-dihydrodibenzo[a,d]cyclohepten-5-ol","5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol",CN(C)CCCC1(O)c2ccccc2CCc3ccccc13,CN(C)CCCC1(O)c2ccccc2CCc3ccccc13,"InChI=1/C20H25NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,22H,7,12-15H2,1-2H3",C20H25NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18766,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.267,ONSQUXZPOPTSQF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.277,214-604-9,1163-19-5,Bis(pentabromophenyl) ether,"1,1'-oxybis(pentabromobenzene)",Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,InChI=1/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22,C12Br10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14217,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.277,WHHGLZMJPXIBIX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.280,214-608-0,1163-67-3,2-(N-phenylcarbamoyl)-3-naphthyl acetate,3-(phenylcarbamoyl)-2-naphthyl acetate,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3,"InChI=1/C19H15NO3/c1-13(21)23-18-12-15-8-6-5-7-14(15)11-17(18)19(22)20-16-9-3-2-4-10-16/h2-12H,1H3,(H,20,22)",C19H15NO3,,,,,,CVJGNNYDVQYHEO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.281,214-609-6,1164-16-5,N-[(benzyloxy)carbonyl]-L-tyrosine,N-[(benzyloxy)carbonyl]tyrosine,OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2,OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2,"InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)",C17H17NO5,,,,,,MCRMUCXATQAAMN-HNNXBMFYSA-N,,,,,,,,,,,
100.023.866,226-252-3,5334-31-6,3-amino-1H-pyrazole-4-carboxamide,3-amino-1H-pyrazole-4-carboxamide,NC(=O)c1c[nH]nc1N,NC(=O)c1c[nH]nc1N,"InChI=1/C4H6N4O/c5-3-2(4(6)9)1-7-8-3/h1H,(H2,6,9)(H3,5,7,8)",C4H6N4O,,,,,,LEFSNWUSTYESGC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.840,231-723-1,7704-67-8,Erythromycin thiocyanate,-,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.[S-]C#N,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.[S-]C#N,"InChI=1/C37H67NO13.CHNS/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;2-1-3/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3H/p-1",C37H67NO13.CHNS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11081,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.840,WVRRTEYLDPNZHR-YZPBMOCRSA-M,,,,,,,,,,,
100.028.845,231-728-9,9/07/7705,Titanium trichloride,-,[Cl-].[Cl-].[Cl-].[Ti+2],[Cl-].[Cl-].[Cl-].[Ti+2],InChI=1/3ClH.Ti/h3*1H;/q;;;+2/p-3,Cl3Ti,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6474,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.845,VPVNLUMMMYWMPK-UHFFFAOYSA-K,,,,,,,,,,,
100.028.847,231-731-5,6/12/7705,"Fumaric acid, iron(2+) salt",iron(2+) but-2-enedioate,[Fe+2].[O-]C(=O)\\C=C\\C(=O)[O-],[Fe+2].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2",C4H4O4.xFe,,,,,,PMVSDNDAUGGCCE-TYYBGVCCSA-L,,,,,,,,,,,
100.028.857,231-742-5,7717-73-9,"1,1'-oxybis(3,4-xylyl)","1,1'-oxybis(3,4-dimethylbenzene)",Cc1ccc(Oc2ccc(C)c(C)c2)cc1C,Cc1ccc(Oc2ccc(C)c(C)c2)cc1C,"InChI=1/C16H18O/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10H,1-4H3",C16H18O,,,,,,WALWGRCDMVAPAF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.864,231-749-3,2/12/7719,Phosphorus trichloride,phosphorus(3+) trichloride,[PH6+3].[Cl-].[Cl-].[Cl-],[PH6+3].[Cl-].[Cl-].[Cl-],InChI=1/3ClH.H5P/h3*1H;1H5/q;;;+3/p-3,Cl3P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14467,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.864,ZMLKKDVHMCEJLP-UHFFFAOYSA-K,,,,,,,,,,,
100.028.865,231-750-9,7720-36-7,"2-ethylhexyl 4-(2,4-dichlorophenoxy)butyrate","2-ethylhexyl 4-(2,4-dichlorophenoxy)butanoate",CCCCC(CC)COC(=O)CCCOc1ccc(Cl)cc1Cl,CCCCC(CC)COC(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C18H26Cl2O3/c1-3-5-7-14(4-2)13-23-18(21)8-6-11-22-17-10-9-15(19)12-16(17)20/h9-10,12,14H,3-8,11,13H2,1-2H3",C18H26Cl2O3,,,,,,HHWWAFPHDKZSKB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.625,225-987-7,5198-63-0,5-phenylfuran-3(2H)-one,5-phenylfuran-3(2H)-one,O=C1COC(=C1)c2ccccc2,O=C1COC(=C1)c2ccccc2,"InChI=1/C10H8O2/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-6H,7H2",C10H8O2,,,,,,QKXNLWXUAQHOQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.630,225-992-4,5202-89-1,Methyl 5-chloroanthranilate,methyl 2-amino-5-chlorobenzoate,COC(=O)c1cc(Cl)ccc1N,COC(=O)c1cc(Cl)ccc1N,"InChI=1/C8H8ClNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3",C8H8ClNO2,,,,,,IGHVUURTQGBABT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.634,225-997-1,7/10/5205,3-methylbut-2-enyl heptanoate,3-methylbut-2-en-1-yl heptanoate,CCCCCCC(=O)OCC=C(C)C,CCCCCCC(=O)OCC=C(C)C,"InChI=1/C12H22O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h9H,4-8,10H2,1-3H3",C12H22O2,,,,,,KRSMRYMDTIADOD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.640,226-003-9,5205-95-8,Dimethyl[3-[(2-methyl-1-oxoallyl)amino]propyl]-3-sulphopropylammonium hydroxide,"3-(methacryloylamino)-N,N-dimethyl-N-(3-sulfopropyl)propan-1-aminium hydroxide",[OH-].CC(=C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O,[OH-].CC(=C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O,"InChI=1/C12H24N2O4S.H2O/c1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18;/h1,5-10H2,2-4H3,(H-,13,15,16,17,18);1H2",C12H24N2O4S,,,,,,DQHTXJNVTIBYSA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.641,226-004-4,5206-52-0,"5,5'-ureylenedi-o-tolyl diisocyanate","1,3-bis(3-isocyanato-4-methylphenyl)urea",Cc1ccc(NC(=O)Nc2ccc(C)c(c2)N=C=O)cc1N=C=O,Cc1ccc(NC(=O)Nc2ccc(C)c(c2)N=C=O)cc1N=C=O,"InChI=1/C17H14N4O3/c1-11-3-5-13(7-15(11)18-9-22)20-17(24)21-14-6-4-12(2)16(8-14)19-10-23/h3-8H,1-2H3,(H2,20,21,24)",C17H14N4O3,,,,,,VZWWZEJXAIOUFX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.647,226-011-2,5217-54-9,"2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethylbenzoxazolium iodide","2-{4-[acetyl(phenyl)amino]buta-1,3-dien-1-yl}-3-ethyl-1,3-benzoxazol-3-ium iodide",[I-].CC(=O)N(C=CC=Cc2oc1ccccc1[n+]2CC)c3ccccc3,[I-].CC(=O)N(C=CC=Cc2oc1ccccc1[n+]2CC)c3ccccc3,"InChI=1/C21H21N2O2.HI/c1-3-22-19-13-7-8-14-20(19)25-21(22)15-9-10-16-23(17(2)24)18-11-5-4-6-12-18;/h4-16H,3H2,1-2H3;1H/q+1;/p-1",C21H21N2O2.I,,,,,,RKHTYMDCAAQJBN-UHFFFAOYSA-M,,,,,,,,,,,
100.027.263,229-989-9,6885-57-0,"2,3,6a,8,9,9a-hexahydro-9a-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione","9a-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",COc1cc2OC3OCCC3(O)c2c4OC(=O)C5=C(CCC5=O)c14,COc1cc2OC3OCCC3(O)c2c4OC(=O)C5=C(CCC5=O)c14,"InChI=1/C17H14O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h6,16,20H,2-5H2,1H3",C17H14O7,,,,,,OQLKWHFMUPJCJY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.264,229-990-4,6887-74-7,"Ethyl 2,4-dioxovalerate, monosodium salt",-,[Na+].CCOC(=O)C(=O)CC(=O)C,[Na+].CCOC(=O)C(=O)CC(=O)C,"InChI=1/C7H10O4.Na/c1-3-11-7(10)6(9)4-5(2)8;/h3-4H2,1-2H3;/q;+1",C7H9O4.Na,,,,,,IEJUKVILNRSHTG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.667,228-233-5,6189-76-0,"Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate",CCCCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CCCCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3",C15H26O2,,,,,,ILUAVCBOWYHFAI-SLEUVZQESA-N,,,,,,,,,,,
100.025.673,228-239-8,6191-99-7,3-ethoxyacryloyl chloride,3-ethoxyacryloyl chloride,CCO\\C=C\\C(=O)Cl,CCO\C=C\C(=O)Cl,"InChI=1/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3",C5H7ClO2,,,,,,SFMFACMIOWQIPR-ONEGZZNKSA-N,,,,,,,,,,,
100.030.294,233-337-9,10124-50-2,Potassium arsonate,dipotassium arsonate,[K+].[K+].[O-][As](=O)[O-],[K+].[K+].[O-][As](=O)[O-],InChI=1/AsO3.2K/c2-1(3)4;;/q-2;2*+1,AsH3O3.xK,,,,,,PPJCKXUDQJAWET-UHFFFAOYSA-N,,,,,,,,,,,
100.030.303,233-347-3,10126-68-8,4-heptadecylidene-3-hexadecyloxetan-2-one,4-heptadecylidene-3-hexadecyloxetan-2-one,O=C1OC(=CCCCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCCCC,O=C1OC(=CCCCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCCCC,"InChI=1/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3",C36H68O2,,,,,,NGDLSKPZMOTRTR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.304,233-348-9,10126-87-1,"Disodium 6,6'-diethoxy[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulphate","disodium 6,6'-diethoxy-2,2'-bi-1-benzothiene-3,3'-diyl disulfate",[Na+].[Na+].CCOc1ccc2c(OS(=O)(=O)[O-])c(sc2c1)c3sc4cc(OCC)ccc4c3OS(=O)(=O)[O-],[Na+].[Na+].CCOc1ccc2c(OS(=O)(=O)[O-])c(sc2c1)c3sc4cc(OCC)ccc4c3OS(=O)(=O)[O-],"InChI=1/C20H18O10S4.2Na/c1-3-27-11-5-7-13-15(9-11)31-19(17(13)29-33(21,22)23)20-18(30-34(24,25)26)14-8-6-12(28-4-2)10-16(14)32-20;;/h5-10H,3-4H2,1-2H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C20H18O10S4.2Na,,,,,,LXLIHSVHDYSQLO-UHFFFAOYSA-L,,,,,,,,,,,
100.030.313,233-358-3,10127-36-3,"1,3-diamino-7-(diethylamino)-8-methylphenoxazin-5-ium chloride","1,3-diamino-7-(diethylamino)-8-methylphenoxazin-5-ium chloride",[Cl-].CCN(CC)c1cc2[o+]c3cc(N)cc(N)c3nc2cc1C,[Cl-].CCN(CC)c1cc2[o+]c3cc(N)cc(N)c3nc2cc1C,"InChI=1/C17H21N4O.ClH/c1-4-21(5-2)14-9-15-13(6-10(14)3)20-17-12(19)7-11(18)8-16(17)22-15;/h6-9H,4-5,18-19H2,1-3H3;1H/q+1;/p-1",C17H21N4O.Cl,,,,,,XBFUWVRRUMSFPH-UHFFFAOYSA-M,,,,,,,,,,,
100.030.315,233-360-4,10128-55-9,"N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulphonamide","N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide",O=C1OC(=Nc2ccccc12)c3ccccc3NS(=O)(=O)c4ccc5ccccc5c4,O=C1OC(=Nc2ccccc12)c3ccccc3NS(=O)(=O)c4ccc5ccccc5c4,"InChI=1/C24H16N2O4S/c27-24-20-10-4-5-11-21(20)25-23(30-24)19-9-3-6-12-22(19)26-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26H",C24H16N2O4S,,,,,,SYRKOPHMPLPLPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.318,233-364-6,10129-78-9,"(2,4-dibromophenoxy)acetic acid","(2,4-dibromophenoxy)acetic acid",OC(=O)COc1ccc(Br)cc1Br,OC(=O)COc1ccc(Br)cc1Br,"InChI=1/C8H6Br2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6Br2O3,,,,,,LIIAWXHMVYLFGT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.321,233-367-2,10130-89-9,4-(chlorosulphonyl)benzoic acid,4-(chlorosulfonyl)benzoic acid,OC(=O)c1ccc(cc1)S(=O)(=O)Cl,OC(=O)c1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",C7H5ClO4S,,,,,,PTCSSXYPZOFISK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.324,233-370-9,10132-80-6,"Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate","sodium 2''-(4-aminophenyl)-6-methyl-2,6':2',6''-ter-1,3-benzothiazole-7-sulfonate",[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(sc4c3)c5ccc6nc(sc6c5)c7ccc(N)cc7,[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(sc4c3)c5ccc6nc(sc6c5)c7ccc(N)cc7,"InChI=1/C28H18N4O3S4.Na/c1-14-2-9-21-24(25(14)39(33,34)35)38-28(32-21)17-6-11-20-23(13-17)37-27(31-20)16-5-10-19-22(12-16)36-26(30-19)15-3-7-18(29)8-4-15;/h2-13H,29H2,1H3,(H,33,34,35);/q;+1/p-1",C28H18N4O3S4.Na,,,,,,AKGLQCZVRWSQHL-UHFFFAOYSA-M,,,,,,,,,,,
100.030.329,233-376-1,10136-65-9,"2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one","2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",CC1(C)C2CC1C(C)(O)C(=O)C2,CC1(C)C2CC1C(C)(O)C(=O)C2,"InChI=1/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3",C10H16O2,,,,,,VZRRCQOUNSHSGB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.332,233-379-8,10137-90-3,5-ethylnon-3-en-2-one,5-ethylnon-3-en-2-one,CCCCC(C=CC(C)=O)CC,CCCCC(C=CC(C)=O)CC,"InChI=1/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3",C11H20O,,,,,,SWBGUNASIKSCCO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.336,233-384-5,10138-21-3,Dichloroethylvinylsilane,dichloro(ethyl)vinylsilane,CC[Si](Cl)(Cl)C=C,CC[Si](Cl)(Cl)C=C,"InChI=1/C4H8Cl2Si/c1-3-7(5,6)4-2/h3H,1,4H2,2H3",C4H8Cl2Si,,,,,,JPBGVRDEQPIMFO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.063,228-669-6,6320-15-6,"4-chloro-2,6-dimethoxypyrimidine","4-chloro-2,6-dimethoxypyrimidine",COc1cc(Cl)nc(OC)n1,COc1cc(Cl)nc(OC)n1,"InChI=1/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3",C6H7ClN2O2,,,,,,JHNRTJRDRWKAIW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.066,228-672-2,6320-40-7,"2,4,6-tribromotoluene","1,3,5-tribromo-2-methylbenzene",Cc1c(Br)cc(Br)cc1Br,Cc1c(Br)cc(Br)cc1Br,"InChI=1/C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3",C7H5Br3,,,,,,BFRIZWKDNUHPHL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.070,228-676-4,6/01/6322,1-amino-3-diethylaminopropan-2-ol,1-amino-3-(diethylamino)propan-2-ol,CCN(CC)CC(O)CN,CCN(CC)CC(O)CN,"InChI=1/C7H18N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6,8H2,1-2H3",C7H18N2O,,,,,,LEJMOTVCCRDZNE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.637,226-000-2,5205-39-0,Ethyl 5-chloro-5-oxovalerate,ethyl 5-chloro-5-oxopentanoate,CCOC(=O)CCCC(=O)Cl,CCOC(=O)CCCC(=O)Cl,"InChI=1/C7H11ClO3/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3",C7H11ClO3,,,,,,KKJAQUGGQMCNJY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.643,226-007-0,8/01/5211,3-chloro-4-(methylthio)aniline,3-chloro-4-(methylsulfanyl)aniline,CSc1ccc(N)cc1Cl,CSc1ccc(N)cc1Cl,"InChI=1/C7H8ClNS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3",C7H8ClNS,,,,,,AIUFATMGALKMOI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.645,226-009-1,5216-25-1,"a,a,a,4-tetrachlorotoluene",1-chloro-4-(trichloromethyl)benzene,Clc1ccc(cc1)C(Cl)(Cl)Cl,Clc1ccc(cc1)C(Cl)(Cl)Cl,"InChI=1/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",C7H4Cl4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2193,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.645,LVZPKYYPPLUECL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.646,226-010-7,5217-47-0,"1,3-diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione","1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCN1C(=O)CC(=O)N(CC)C1=S,CCN1C(=O)CC(=O)N(CC)C1=S,"InChI=1/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3",C8H12N2O2S,,,,,,SHBTUGJAKBRBBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.262,229-988-3,6884-86-2,O-butyl methylthiocarbamate,O-butyl methylthiocarbamate,CCCCOC(=S)NC,CCCCOC(=S)NC,"InChI=1/C6H13NOS/c1-3-4-5-8-6(9)7-2/h3-5H2,1-2H3,(H,7,9)",C6H13NOS,,,,,,DJFNWCMRLYVRNG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.265,229-992-5,6890-26-2,"Benzo-1,3-dioxole-5-methanol propanoate","1,3-benzodioxol-5-ylmethyl propionate",CCC(=O)OCc1ccc2OCOc2c1,CCC(=O)OCc1ccc2OCOc2c1,"InChI=1/C11H12O4/c1-2-11(12)13-6-8-3-4-9-10(5-8)15-7-14-9/h3-5H,2,6-7H2,1H3",C11H12O4,,,,,,FVRCUNZJSLRIKU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.267,229-994-6,6890-65-9,"3a,17-dihydroxy-5a-pregnan-20-one","3,17-dihydroxypregnan-20-one",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3",C21H34O3,,,,,,LKQDFQLSEHWIRK-JRRMKBMNSA-N,,,,,,,,,,,
100.027.276,230-003-4,6898-82-4,N-isobutylideneisobutylamine,2-methyl-N-(2-methylpropylidene)propan-1-amine,CC(C)CN=CC(C)C,CC(C)CN=CC(C)C,"InChI=1/C8H17N/c1-7(2)5-9-6-8(3)4/h5,7-8H,6H2,1-4H3",C8H17N,,,,,,SOJXDJJIMYWISJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.277,230-005-5,6898-84-6,Sodium propanethiolate,sodium propane-1-thiolate,[Na+].CCC[S-],[Na+].CCC[S-],"InChI=1/C3H8S.Na/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1",C3H8S.Na,,,,,,XVSFHIIADLZQJP-UHFFFAOYSA-M,,,,,,,,,,,
100.027.279,230-007-6,6900-35-2,Potassium methacrylate,potassium methacrylate,[K+].CC(=C)C(=O)[O-],[K+].CC(=C)C(=O)[O-],"InChI=1/C4H6O2.K/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",C4H6O2.K,,,,,,LLLCSBYSPJHDJX-UHFFFAOYSA-M,,,,,,,,,,,
100.027.291,230-020-7,6914-76-7,1-methylcyclopropanecarboxylic acid,1-methylcyclopropanecarboxylic acid,CC1(CC1)C(=O)O,CC1(CC1)C(=O)O,"InChI=1/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)",C5H8O2,,,,,,DIZKLZKLNKQFGB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.294,230-023-3,6915-57-7,Bibrocathol,"4,5,6,7-tetrabromo-1,3,2-benzodioxabismol-2-ol",O[Bi]1Oc2c(Br)c(Br)c(Br)c(Br)c2O1,O[Bi]1Oc2c(Br)c(Br)c(Br)c(Br)c2O1,InChI=1/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3/rC6HBiBr4O3/c8-1-2(9)4(11)6-5(3(1)10)13-7(12)14-6/h12H,C6HBiBr4O3,,,,,,VTAVFIZOZUAKKE-UHFFFAOYSA-K,,,,,,,,,,,
100.027.296,230-025-4,6917-48-2,"N,N-diethyl-5-fluoro-2,4-dinitroaniline","N,N-diethyl-5-fluoro-2,4-dinitroaniline",CCN(CC)c1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-],CCN(CC)c1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12FN3O4/c1-3-12(4-2)9-5-7(11)8(13(15)16)6-10(9)14(17)18/h5-6H,3-4H2,1-2H3",C10H12FN3O4,,,,,,VXGQQIQVKRTBFG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.298,230-028-0,6918-37-2,Adenylyl-(5'<U+2192>2')-guanosine,-,NC1=Nc2c(ncn2C3OC(CO)C(O)C3OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)C(=O)N1,NC1=Nc2c(ncn2C3OC(CO)C(O)C3OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)C(=O)N1,"InChI=1/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(34)10(32)7(40-18)2-38-42(36,37)41-13-11(33)6(1-31)39-19(13)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)",C20H25N10O11P,,,,,,ZLNKIMYMVZHDPX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.301,230-031-7,6920-97-4,"1,2-dimethyl-5-vinylpyridinium methyl sulphate","1,2-dimethyl-5-vinylpyridinium methyl sulfate",COS(=O)(=O)[O-].Cc1ccc(C=C)c[n+]1C,COS(=O)(=O)[O-].Cc1ccc(C=C)c[n+]1C,"InChI=1/C9H12N.CH4O4S/c1-4-9-6-5-8(2)10(3)7-9;1-5-6(2,3)4/h4-7H,1H2,2-3H3;1H3,(H,2,3,4)/q+1;/p-1",C9H12N.CH3O4S,,,,,,XKIGDOOFWYHZDA-UHFFFAOYSA-M,,,,,,,,,,,
100.014.164,215-579-7,1333-13-7,tert-butyl-m-cresol,2-tert-butyl-3-methylphenol,Cc1cccc(O)c1C(C)(C)C,Cc1cccc(O)c1C(C)(C)C,"InChI=1/C11H16O/c1-8-6-5-7-9(12)10(8)11(2,3)4/h5-7,12H,1-4H3",C11H16O,,,,,,SDJUKATYFRSDAS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.174,215-590-7,1333-45-5,Dimethylcyclohexanol,"1,2-dimethylcyclohexanol",CC1CCCCC1(C)O,CC1CCCCC1(C)O,"InChI=1/C8H16O/c1-7-5-3-4-6-8(7,2)9/h7,9H,3-6H2,1-2H3",C8H16O,,,,,,RAZWADXTNBRANC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.504,228-054-2,6102-28-9,Sodium N-tetradecyl-ß-alaninate,sodium 3-(tetradecylamino)propanoate,[Na+].CCCCCCCCCCCCCCNCCC(=O)[O-],[Na+].CCCCCCCCCCCCCCNCCC(=O)[O-],"InChI=1/C17H35NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;/h18H,2-16H2,1H3,(H,19,20);/q;+1/p-1",C17H35NO2.Na,,,,,,QCSYDNSOSLJXCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.025.522,228-074-1,6110-53-8,(Z)-1-bromooctadec-9-ene,1-bromooctadec-9-ene,CCCCCCCC\\C=C/CCCCCCCCBr,CCCCCCCC\C=C/CCCCCCCCBr,"InChI=1/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3",C18H35Br,,,,,,RRQWVJIFKFIUJU-KTKRTIGZSA-N,,,,,,,,,,,
100.025.523,228-075-7,6112-39-6,3-methylbenzothiazolium toluene-4-sulphonate,"3-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2csc3ccccc23,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2csc3ccccc23,"InChI=1/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C8H8NS.C7H7O3S,,,,,,VSLLSCGWLKZXJL-UHFFFAOYSA-M,,,,,,,,,,,
100.025.529,228-082-5,6114-18-7,Ethyl elaidate,ethyl octadec-9-enoate,CCCCCCCC\\C=C\\CCCCCCCC(=O)OCC,CCCCCCCC\C=C\CCCCCCCC(=O)OCC,"InChI=1/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3",C20H38O2,,,,,,LVGKNOAMLMIIKO-VAWYXSNFSA-N,,,,,,,,,,,
100.025.531,228-084-6,6116-76-3,"3-ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one","3-ethyl-2-methyl-1,5,6,7-tetrahydro-4H-indol-4-one",CCc1c(C)[nH]c2CCCC(=O)c12,CCc1c(C)[nH]c2CCCC(=O)c12,"InChI=1/C11H15NO/c1-3-8-7(2)12-9-5-4-6-10(13)11(8)9/h12H,3-6H2,1-2H3",C11H15NO,,,,,,RZUQNFAPFIHYCR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.579,225-936-9,8/03/5162,2-chlorobenzophenone,(2-chlorophenyl)(phenyl)methanone,Clc1ccccc1C(=O)c2ccccc2,Clc1ccccc1C(=O)c2ccccc2,InChI=1/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,C13H9ClO,,,,,,VMHYWKBKHMYRNF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.586,225-944-2,5164-79-4,"(Z,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one","4-but-2-en-1-ylidene-3,5,5-trimethylcyclohex-2-en-1-one",C/C1=C/C(=O)CC(C)(C)C1=C\\C=CC,C/C1=C/C(=O)CC(C)(C)C1=C\C=CC,"InChI=1/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3",C13H18O,,,,,,CBQXHTWJSZXYSK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.591,225-950-5,5166-53-0,5-methylhex-3-en-2-one,5-methylhex-3-en-2-one,CC(C)C=CC(C)=O,CC(C)C=CC(C)=O,"InChI=1/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3",C7H12O,,,,,,IYMKNYVCXUEFJE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.598,225-957-3,5173-70-6,"(4a,4aß,8aß)-octahydro-4,8a-dimethyl-4a(2H)-naphthol","4,8a-dimethyloctahydronaphthalen-4a(2H)-ol",C[C@H]1CCC[C@@]2(C)CCCC[C@@]12O,C[C@H]1CCC[C@@]2(C)CCCC[C@@]12O,"InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3",C12H22O,,,,,,JLPUXFOGCDVKGO-QJPTWQEYSA-N,,,,,,,,,,,
100.023.608,225-968-3,5187-82-6,(2-ethoxy-2-oxoethyl)dimethylsulphonium bromide,(2-ethoxy-2-oxoethyl)(dimethyl)sulfonium bromide,[Br-].CCOC(=O)C[S+](C)C,[Br-].CCOC(=O)C[S+](C)C,"InChI=1/C6H13O2S.BrH/c1-4-8-6(7)5-9(2)3;/h4-5H2,1-3H3;1H/q+1;/p-1",C6H13O2S.Br,,,,,,JXFPTJYKYKVENJ-UHFFFAOYSA-M,,,,,,,,,,,
100.023.621,225-983-5,5197-28-4,2-bromo-4-nitroanisole,2-bromo-1-methoxy-4-nitrobenzene,COc1ccc(cc1Br)[N+](=O)[O-],COc1ccc(cc1Br)[N+](=O)[O-],"InChI=1/C7H6BrNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3",C7H6BrNO3,,,,,,JMUDXQVNBZCQRF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.622,225-984-0,5197-62-6,2-(2-(2-chloroethoxy)ethoxy)ethanol,2-[2-(2-chloroethoxy)ethoxy]ethanol,OCCOCCOCCCl,OCCOCCOCCCl,"InChI=1/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2",C6H13ClO3,,,,,,KECMLGZOQMJIBM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.291,214-620-6,1166-52-5,"Dodecyl 3,4,5-trihydroxybenzoate","dodecyl 3,4,5-trihydroxybenzoate",CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3",C19H30O5,,,,,,RPWFJAMTCNSJKK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.296,214-625-3,1170-02-1,"Ethylenediamine-N,N'-bis((2-hydroxyphenyl)acetic acid)","2,2'-(ethane-1,2-diyldiimino)bis[(2-hydroxyphenyl)acetic acid]",OC(=O)C(NCCNC(C(=O)O)c1ccccc1O)c2ccccc2O,OC(=O)C(NCCNC(C(=O)O)c1ccccc1O)c2ccccc2O,"InChI=1/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)",C18H20N2O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11527,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.296,PZZHMLOHNYWKIK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.297,214-626-9,1170-76-9,3-phenyl-N-[N-[(phenylmethoxy)carbonyl]glycyl]-L-alanine,N-[(benzyloxy)carbonyl]glycylphenylalanine,OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc2ccccc2,OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc2ccccc2,"InChI=1/C19H20N2O5/c22-17(12-20-19(25)26-13-15-9-5-2-6-10-15)21-16(18(23)24)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,25)(H,21,22)(H,23,24)",C19H20N2O5,,,,,,FLGYJBNDDWLTQR-INIZCTEOSA-N,,,,,,,,,,,
100.027.270,229-997-2,6892-17-7,"2,2-dimethylpropane-1,3-diyl bis(chloroformate)","2,2-dimethylpropane-1,3-diyl dichlorocarbonate",CC(C)(COC(=O)Cl)COC(=O)Cl,CC(C)(COC(=O)Cl)COC(=O)Cl,"InChI=1/C7H10Cl2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3",C7H10Cl2O4,,,,,,ROPHHOGKCLJYID-UHFFFAOYSA-N,,,,,,,,,,,
100.027.272,229-999-3,3/02/6893,Liothyronine,"O-(4-hydroxy-3-iodophenyl)-3,5-diiodotyrosine",N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,"InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)",C15H12I3NO4,,,,,,AUYYCJSJGJYCDS-LBPRGKRZSA-N,,,,,,,,,,,
100.027.280,230-008-1,6901-13-9,"[7S-(7a,7bß,10aß)]-N-(5,6,7,7b,8,10a-hexahydro-1,2,3,9-tetramethoxy-8-oxobenzo[a]cyclopenta[3,4]cyclobuta[1,2-c]cyclohepten-7-yl)acetamide","N-(1,2,3,9-tetramethoxy-8-oxo-5,6,7,7b,8,10a-hexahydrobenzo[a]cyclopenta[3,4]cyclobuta[1,2-c][7]annulen-7-yl)acetamide",COC1=CC2C(C1=O)C3=C2c4c(CCC3NC(=O)C)cc(OC)c(OC)c4OC,COC1=CC2C(C1=O)C3=C2c4c(CCC3NC(=O)C)cc(OC)c(OC)c4OC,"InChI=1/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)",C22H25NO6,,,,,,VKPVZFOUXUQJMW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.282,230-010-2,6901-97-9,"4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",C\\C1=C\\CCC(C)(C)C1C=CC(C)=O,C\C1=C\CCC(C)(C)C1C=CC(C)=O,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3",C13H20O,,,,,,UZFLPKAIBPNNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.283,230-011-8,6903-79-3,Creatinolfosfate,2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate,CN(CCOP(=O)(O)O)C(=N)N,CN(CCOP(=O)(O)O)C(=N)N,"InChI=1/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)",C4H12N3O4P,,,,,,FOIPWTMKYXWFGC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.285,230-013-9,6904-66-1,"1,3,3,5,5,7-hexamethyl-1,1,7,7-tetraphenyltetrasiloxane","1,3,3,5,5,7-hexamethyl-1,1,7,7-tetraphenyltetrasiloxane",C[Si](C)(O[Si](C)(C)O[Si](C)(c1ccccc1)c2ccccc2)O[Si](C)(c3ccccc3)c4ccccc4,C[Si](C)(O[Si](C)(C)O[Si](C)(c1ccccc1)c2ccccc2)O[Si](C)(c3ccccc3)c4ccccc4,"InChI=1/C30H38O3Si4/c1-34(2,32-36(5,27-19-11-7-12-20-27)28-21-13-8-14-22-28)31-35(3,4)33-37(6,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26H,1-6H3",C30H38O3Si4,,,,,,HNGWDEQHOJWGBN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.290,230-019-1,5/12/6912,Dimethylammonium bromide,N-methylmethanaminium bromide,[Br-].C[NH2+]C,[Br-].C[NH2+]C,"InChI=1/C2H7N.BrH/c1-3-2;/h3H,1-2H3;1H",C2H7N.BrH,,,,,,FFJMLWSZNCJCSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.297,230-027-5,6917-81-3,Dimethylgallium chloride,dimethylgallium(1+) chloride,[Cl-].C[Ga+]C,[Cl-].C[Ga+]C,InChI=1/2CH3.ClH.Ga/h2*1H3;1H;/q;;;+1/p-1/rC2H6Ga.ClH/c1-3-2;/h1-2H3;1H/q+1;/p-1,C2H6ClGa,,,,,,OWQWEJKPOUNPPG-UHFFFAOYSA-M,,,,,,,,,,,
100.027.299,230-029-6,6920-22-5,"DL-hexane-1,2-diol","hexane-1,2-diol",CCCCC(O)CO,CCCCC(O)CO,"InChI=1/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3",C6H14O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11614,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.299,FHKSXSQHXQEMOK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.304,230-034-3,6/12/6921,"Methyl 4,4-dinitrovalerate","methyl 4,4-dinitropentanoate",COC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-],COC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H10N2O6/c1-6(7(10)11,8(12)13)4-3-5(9)14-2/h3-4H2,1-2H3",C6H10N2O6,,,,,,XJYBIOQYCBWSAV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.305,230-035-9,6921-22-8,"1,2-difluoro-3-nitrobenzene","1,2-difluoro-3-nitrobenzene",[O-][N+](=O)c1cccc(F)c1F,[O-][N+](=O)c1cccc(F)c1F,InChI=1/C6H3F2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,C6H3F2NO2,,,,,,IXIJRPBFPLESEI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.306,230-036-4,6921-28-4,Di-2-propynylamine,N-prop-2-yn-1-ylprop-2-yn-1-amine,C#CCNCC#C,C#CCNCC#C,"InChI=1/C6H7N/c1-3-5-7-6-4-2/h1-2,7H,5-6H2",C6H7N,,,,,,RGSODMOUXWISAG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.308,230-039-0,6921-34-2,Benzylmagnesium chloride,benzylmagnesium(1+) chloride,[Cl-].[Mg+]Cc1ccccc1,[Cl-].[Mg+]Cc1ccccc1,"InChI=1/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q;;+1/p-1/rC7H7Mg.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6H2;1H/q+1;/p-1",C7H7ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11522,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.308,NRAFPLGJPPJUNB-UHFFFAOYSA-M,,,,,,,,,,,
100.014.170,215-586-5,1333-38-6,5-methylfuran-2-one,5-methylfuran-2(3H)-one,CC1=CCC(=O)O1,CC1=CCC(=O)O1,"InChI=1/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3",C5H6O2,,,,,,QOTQFLOTGBBMEX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.172,215-588-6,1333-41-1,Methylpyridine,2-methylpyridine,Cc1ccccn1,Cc1ccccn1,"InChI=1/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",C6H7N,,,,,,BSKHPKMHTQYZBB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.179,215-595-4,1333-53-5,Isopropylquinoline,2-isopropylquinoline,CC(C)c1ccc2ccccc2n1,CC(C)c1ccc2ccccc2n1,"InChI=1/C12H13N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h3-9H,1-2H3",C12H13N,,,,,,QQKLFCIOCMYHJV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.072,228-679-0,6322-37-8,Sodium 8-aminonaphthalene-2-sulphonate,sodium 8-aminonaphthalene-2-sulfonate,[Na+].Nc1cccc2ccc(cc12)S(=O)(=O)[O-],[Na+].Nc1cccc2ccc(cc12)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,GJYIHWVYSDKING-UHFFFAOYSA-M,,,,,,,,,,,
100.026.075,228-682-7,2/01/6324,(±)-4-hydroxyphenylglycine,amino(4-hydroxyphenyl)acetic acid,NC(C(=O)O)c1ccc(O)cc1,NC(C(=O)O)c1ccc(O)cc1,"InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)",C8H9NO3,,,,,,LJCWONGJFPCTTL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.080,228-687-4,6324-75-0,2-methyl-6-(phenylmethylene)cyclohexan-1-one,2-benzylidene-6-methylcyclohexanone,CC2CCCC(=Cc1ccccc1)C2=O,CC2CCCC(=Cc1ccccc1)C2=O,"InChI=1/C14H16O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3",C14H16O,,,,,,OOXAOPCNIYOINQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.082,228-690-0,6325-92-4,2-(benzylthio)aniline,2-(benzylsulfanyl)aniline,Nc1ccccc1SCc2ccccc2,Nc1ccccc1SCc2ccccc2,"InChI=1/C13H13NS/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2",C13H13NS,,,,,,YOLYJTSQMGIQOP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.084,228-692-1,6326-44-9,Diethyl formamidomalonate,diethyl formamidomalonate,CCOC(=O)C(NC=O)C(=O)OCC,CCOC(=O)C(NC=O)C(=O)OCC,"InChI=1/C8H13NO5/c1-3-13-7(11)6(9-5-10)8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,10)",C8H13NO5,,,,,,PFLHGSJLYNJIOF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.087,228-695-8,6326-88-1,Dodecahydro-1H-carbazole,dodecahydro-1H-carbazole,C1CCC2C(C1)NC3CCCCC23,C1CCC2C(C1)NC3CCCCC23,"InChI=1/C12H21N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h9-13H,1-8H2",C12H21N,,,,,,SBVSDAFTZIVQEI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.088,228-696-3,6327-69-1,2-morpholino-2-phenylacetamide,2-morpholin-4-yl-2-phenylacetamide,NC(=O)C(N1CCOCC1)c2ccccc2,NC(=O)C(N1CCOCC1)c2ccccc2,"InChI=1/C12H16N2O2/c13-12(15)11(10-4-2-1-3-5-10)14-6-8-16-9-7-14/h1-5,11H,6-9H2,(H2,13,15)",C12H16N2O2,,,,,,GVSAMGMSPJMQHK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.093,228-702-4,6329-61-9,Decahydroisoquinoline,decahydroisoquinoline,C1CCC2CNCCC2C1,C1CCC2CNCCC2C1,"InChI=1/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2",C9H17N,,,,,,NENLYAQPNATJSU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.095,228-705-0,6330-25-2,2-cyano-N-methylacetamide,2-cyano-N-methylacetamide,CNC(=O)CC#N,CNC(=O)CC#N,"InChI=1/C4H6N2O/c1-6-4(7)2-3-5/h2H2,1H3,(H,6,7)",C4H6N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6789,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.095,LIHUTSFYFGCWQP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.098,228-708-7,6331-70-0,2-ethoxy-5-methylaniline,2-ethoxy-5-methylaniline,CCOc1ccc(C)cc1N,CCOc1ccc(C)cc1N,"InChI=1/C9H13NO/c1-3-11-9-5-4-7(2)6-8(9)10/h4-6H,3,10H2,1-2H3",C9H13NO,,,,,,GYFZMCLUPHXUDV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.104,228-715-5,6334-97-0,7-acetamido-4-hydroxynaphthalene-2-sulphonic acid,7-acetamido-4-hydroxynaphthalene-2-sulfonic acid,CC(=O)Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,CC(=O)Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,"InChI=1/C12H11NO5S/c1-7(14)13-9-2-3-11-8(4-9)5-10(6-12(11)15)19(16,17)18/h2-6,15H,1H3,(H,13,14)(H,16,17,18)",C12H11NO5S,,,,,,KKAMNIDZQVXDJV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.105,228-716-0,6/05/6336,"6-chloro-2-(4-chlorophenyl)-2,3-dihydro-4H-1-benzopyran-4-one","6-chloro-2-(4-chlorophenyl)-2,3-dihydro-4H-chromen-4-one",Clc1ccc(cc1)C2CC(=O)c3cc(Cl)ccc3O2,Clc1ccc(cc1)C2CC(=O)c3cc(Cl)ccc3O2,"InChI=1/C15H10Cl2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,15H,8H2",C15H10Cl2O2,,,,,,BRSHNJAWYFBJSD-UHFFFAOYSA-N,,,,,,,,,,,
100.029.189,232-108-0,7787-32-8,Barium fluoride,barium difluoride,[F-].[F-].[Ba+2],[F-].[F-].[Ba+2],InChI=1/Ba.2FH/h;2*1H/q+2;;/p-2,BaF2,,,,,,OYLGJCQECKOTOL-UHFFFAOYSA-L,,,,,,,,,,,
100.029.193,232-112-2,7787-39-5,Barium sulphite,barium sulfite,[Ba+2].[O-]S(=O)[O-],[Ba+2].[O-]S(=O)[O-],"InChI=1/Ba.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",Ba.H2O3S,,,,,,ARSLNKYOPNUFFY-UHFFFAOYSA-L,,,,,,,,,,,
100.029.207,232-127-4,7787-64-6,Bismuth triiodide,bismuth(3+) triiodide,[I-].[I-].[I-].[BiH3+3],[I-].[I-].[I-].[BiH3+3],InChI=1/Bi.3HI.3H/h;3*1H;;;/q+3;;;;;;/p-3/rBiH3.3HI/h1H3;3*1H/q+3;;;/p-3,BiI3,,,,,,HXTWPIJUKIDKIH-UHFFFAOYSA-K,,,,,,,,,,,
100.029.208,232-129-5,7787-68-0,Dibismuth tris(sulphate),dibismuth tris(sulphate),[BiH3+3].[BiH3+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[BiH3+3].[BiH3+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Bi.3H2O4S.6H/c;;3*1-5(2,3)4;;;;;;/h;;3*(H2,1,2,3,4);;;;;;/q2*+3;;;;;;;;;/p-6/r2BiH3.3H2O4S/c;;3*1-5(2,3)4/h2*1H3;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Bi.3/2H2O4S,,,,,,MYRSOTUAXQQJPC-UHFFFAOYSA-H,,,,,,,,,,,
100.029.214,232-135-8,7787-87-3,(1-chloroethyl)trimethylsilane,(1-chloroethyl)(trimethyl)silane,CC(Cl)[Si](C)(C)C,CC(Cl)[Si](C)(C)C,"InChI=1/C5H13ClSi/c1-5(6)7(2,3)4/h5H,1-4H3",C5H13ClSi,,,,,,UWJVDEZZIPJQRF-UHFFFAOYSA-N,,,,,,,,,,,
100.029.229,232-152-0,7789-24-4,Lithium fluoride,lithium fluoride,[Li+].[F-],[Li+].[F-],InChI=1/FH.Li/h1H;/q;+1/p-1,FLi,,,,,,PQXKHYXIUOZZFA-UHFFFAOYSA-M,,,,,,,,,,,
100.014.180,215-597-5,1333-54-6,Ethyl hydroxymethoxycinnamate,ethyl 3-[2-(hydroxymethoxy)phenyl]acrylate,CCOC(=O)\\C=C\\c1ccccc1OCO,CCOC(=O)\C=C\c1ccccc1OCO,"InChI=1/C12H14O4/c1-2-15-12(14)8-7-10-5-3-4-6-11(10)16-9-13/h3-8,13H,2,9H2,1H3",C12H14O4,,,,,,YHXACRRSCRZOIX-BQYQJAHWSA-N,,,,,,,,,,,
100.014.183,215-601-5,1333-66-0,D-glucitol monopalmitate,1-O-palmitoyl-D-glucitol,CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C22H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(26)29-17-19(25)22(28)21(27)18(24)16-23/h18-19,21-25,27-28H,2-17H2,1H3",C22H44O7,,,,,,OZVSZAQHQAHZNC-NPDDRXJXSA-N,,,,,,,,,,,
100.014.197,215-616-7,1334-82-3,Pentyl furoate,pentyl 2-furoate,CCCCCOC(=O)c1occc1,CCCCCOC(=O)c1occc1,"InChI=1/C10H14O3/c1-2-3-4-7-13-10(11)9-6-5-8-12-9/h5-6,8H,2-4,7H2,1H3",C10H14O3,,,,,,BGJZMKPSRLHMME-UHFFFAOYSA-N,,,,,,,,,,,
100.014.198,215-617-2,1335-06-4,Bromostyrene,1-bromo-2-vinylbenzene,Brc1ccccc1C=C,Brc1ccccc1C=C,"InChI=1/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2",C8H7Br,,,,,,SSZOCHFYWWVSAI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.199,215-618-8,1335-08-6,Anisic acid,4-methoxybenzoic acid,COc1ccc(cc1)C(=O)O,COc1ccc(cc1)C(=O)O,"InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O3,,,,,,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.213,215-634-5,1335-44-0,Ar-isopropylphenylacetaldehyde,(3-isopropylphenyl)acetaldehyde,CC(C)c1cccc(CC=O)c1,CC(C)c1cccc(CC=O)c1,"InChI=1/C11H14O/c1-9(2)11-5-3-4-10(8-11)6-7-12/h3-5,7-9H,6H2,1-2H3",C11H14O,,,,,,PLBFBQRBPDVZMR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.216,215-637-1,1335-58-6,"1,2,3-Propanetriol, acetate","2,3-dihydroxypropyl acetate",CC(=O)OCC(O)CO,CC(=O)OCC(O)CO,"InChI=1/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3",-,,,,,,KMZHZAAOEWVPSE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.499,214-849-1,1200-03-9,4-bromobutyl phenyl ether,(4-bromobutoxy)benzene,BrCCCCOc1ccccc1,BrCCCCOc1ccccc1,"InChI=1/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2",C10H13BrO,,,,,,QBLISOIWPZSVIK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.501,214-851-2,1200-14-2,p-butylbenzaldehyde,4-butylbenzaldehyde,CCCCc1ccc(C=O)cc1,CCCCc1ccc(C=O)cc1,"InChI=1/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3",C11H14O,,,,,,ARIREUPIXAKDAY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.509,214-860-1,1201-99-6,"2,4-dichlorocinnamic acid","3-(2,4-dichlorophenyl)acrylic acid",OC(=O)\\C=C\\c1ccc(Cl)cc1Cl,OC(=O)\C=C\c1ccc(Cl)cc1Cl,"InChI=1/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)",C9H6Cl2O2,,,,,,MEBWABJHRAYGFW-DUXPYHPUSA-N,,,,,,,,,,,
100.013.512,214-863-8,1202-25-1,Methyl 4-dimethylaminobenzoate,methyl 4-(dimethylamino)benzoate,COC(=O)c1ccc(cc1)N(C)C,COC(=O)c1ccc(cc1)N(C)C,"InChI=1/C10H13NO2/c1-11(2)9-6-4-8(5-7-9)10(12)13-3/h4-7H,1-3H3",C10H13NO2,,,,,,DBQGARDMYOMOOS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.513,214-864-3,1202-34-2,Di(2-pyridyl)amine,N-pyridin-2-ylpyridin-2-amine,N(c1ccccn1)c2ccccn2,N(c1ccccn1)c2ccccn2,"InChI=1/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13)",C10H9N3,,,,,,HMMPCBAWTWYFLR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.514,214-865-9,1202-36-4,Diphenyltellurium,"1,1'-tellanyldibenzene",[Te](c1ccccc1)c2ccccc2,[Te](c1ccccc1)c2ccccc2,InChI=1/C12H10Te/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,C12H10Te,,,,,,XTCBHFKSTRGVMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.515,214-866-4,1202-39-7,"3',4'-dichlorocinnamic acid","3-(3,4-dichlorophenyl)acrylic acid",OC(=O)C=Cc1ccc(Cl)c(Cl)c1,OC(=O)C=Cc1ccc(Cl)c(Cl)c1,"InChI=1/C9H6Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)",C9H6Cl2O2,,,,,,RRLUFPHCTSFKNR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.520,214-872-7,1204-06-4,3-(indol-3-yl)acrylic acid,3-(1H-indol-3-yl)acrylic acid,OC(=O)\\C=C\\c1c[nH]c2ccccc12,OC(=O)\C=C\c1c[nH]c2ccccc12,"InChI=1/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)",C11H9NO2,,,,,,PLVPPLCLBIEYEA-AATRIKPKSA-N,,,,,,,,,,,
100.013.521,214-873-2,1204-21-3,"Bromomethyl 2,5-dimethoxyphenyl ketone","2-bromo-1-(2,5-dimethoxyphenyl)ethanone",COc1ccc(OC)c(c1)C(=O)CBr,COc1ccc(OC)c(c1)C(=O)CBr,"InChI=1/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3",C10H11BrO3,,,,,,RGQNFYVSEWDUEI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.522,214-874-8,1204-28-0,4-chloroformylphthalic anhydride,"1,3-dioxo-1,3-dihydro-2-benzofuran-5-carbonyl chloride",ClC(=O)c1ccc2C(=O)OC(=O)c2c1,ClC(=O)c1ccc2C(=O)OC(=O)c2c1,InChI=1/C9H3ClO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,C9H3ClO4,,,,,,NJMOHBDCGXJLNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.531,214-884-2,1205-50-1,Methyl 3-chloro-4-hydroxy-5-methoxybenzoate,methyl 3-chloro-4-hydroxy-5-methoxybenzoate,COC(=O)c1cc(Cl)c(O)c(OC)c1,COC(=O)c1cc(Cl)c(O)c(OC)c1,"InChI=1/C9H9ClO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3",C9H9ClO4,,,,,,ONPNTTNXLNYIJM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.536,214-890-5,1206-15-1,1-(4-methoxyphenyl)cyclopentanecarbonitrile,1-(4-methoxyphenyl)cyclopentanecarbonitrile,COc1ccc(cc1)C2(CCCC2)C#N,COc1ccc(cc1)C2(CCCC2)C#N,"InChI=1/C13H15NO/c1-15-12-6-4-11(5-7-12)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3",C13H15NO,,,,,,DOZAMVFROCVJLO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.298,214-627-4,1171-81-9,"11ß,16a,17,21-tetrahydroxypregn-4-ene-3,20-dione","11,16,17,21-tetrahydroxypregn-4-ene-3,20-dione",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4C[C@@H](O)[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4C[C@@H](O)[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C21H30O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h7,13-16,18,22,24-25,27H,3-6,8-10H2,1-2H3",C21H30O6,,,,,,SQPRYYSTJMNHSK-ILNISADRSA-N,,,,,,,,,,,
100.013.302,214-632-1,1172-76-5,"1,2-dimethyl-1,1,2,2-tetraphenyldisilane","1,2-dimethyl-1,1,2,2-tetraphenyldisilane",C[Si](c1ccccc1)(c2ccccc2)[Si](C)(c3ccccc3)c4ccccc4,C[Si](c1ccccc1)(c2ccccc2)[Si](C)(c3ccccc3)c4ccccc4,"InChI=1/C26H26Si2/c1-27(23-15-7-3-8-16-23,24-17-9-4-10-18-24)28(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3",C26H26Si2,,,,,,JNZRJYXUMDPPRK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.303,214-633-7,1173-09-7,"3ß,21-dihydroxy-16a-methylpregn-5-en-20-one 21-acetate",3-hydroxy-16-methyl-20-oxopregn-5-en-21-yl acetate,C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)COC(=O)C,"InChI=1/C24H36O4/c1-14-11-20-18-6-5-16-12-17(26)7-9-23(16,3)19(18)8-10-24(20,4)22(14)21(27)13-28-15(2)25/h5,14,17-20,22,26H,6-13H2,1-4H3",C24H36O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17173,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.303,LIZWBGZACPSUNY-MDXUQPGDSA-N,,,,,,,,,,,
100.013.304,214-634-2,1173-13-3,"(3ß,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol","9,10-secocholesta-5(10),6,8-trien-3-ol",O[C@@H]3C/C(C=C\\C2=C\\CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)=C(/C)CC3,O[C@@H]3C/C(C=C\C2=C\CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)=C(/C)CC3,"InChI=1/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3",C27H44O,,,,,,YUGCAAVRZWBXEQ-RWDMXNMGSA-N,,,,,,,,,,,
100.013.305,214-635-8,1173-26-8,"11ß,21-dihydroxypregn-4-ene-3,20-dione 21-acetate","11-hydroxy-3,20-dioxopregn-4-en-21-yl acetate",CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3",C23H32O5,,,,,,WKQCPUMQBMFPLC-ZWFCQKKLSA-N,,,,,,,,,,,
100.013.308,214-638-4,1174-72-7,Tetraphenyl orthosilicate,tetraphenyl orthosilicate,O(c1ccccc1)[Si](Oc2ccccc2)(Oc3ccccc3)Oc4ccccc4,O(c1ccccc1)[Si](Oc2ccccc2)(Oc3ccccc3)Oc4ccccc4,"InChI=1/C24H20O4Si/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-20H",C24H20O4Si,,,,,,ADLSSRLDGACTEX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.310,214-641-0,1175-12-8,"Androst-5-ene-3-ß,17-ß-diol 17-benzoate",3-hydroxyandrost-5-en-17-yl benzoate,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5,"InChI=1/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-8,19-23,27H,9-16H2,1-2H3",C26H34O3,,,,,,BGSWILYBWIQYKQ-DRKCKIEBSA-N,,,,,,,,,,,
100.013.323,214-655-7,1182-34-9,"2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid","1,4-bis{[3-(3,4-dihydroxyphenyl)acryloyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid",O[C@@H]1[C@@H](CC[C@](OC(=O)\\C=C\\c2ccc(O)c(O)c2)([C@H]1O)C(=O)O)OC(=O)\\C=C\\c3ccc(O)c(O)c3,O[C@@H]1[C@@H](CC[C@](OC(=O)\C=C\c2ccc(O)c(O)c2)([C@H]1O)C(=O)O)OC(=O)\C=C\c3ccc(O)c(O)c3,"InChI=1/C25H24O12/c26-15-5-1-13(11-17(15)28)3-7-20(30)36-19-9-10-25(24(34)35,23(33)22(19)32)37-21(31)8-4-14-2-6-16(27)18(29)12-14/h1-8,11-12,19,22-23,26-29,32-33H,9-10H2,(H,34,35)",C25H24O12,,,,,,AGWPABZXEMVRNE-ZFNQUHTLSA-N,,,,,,,,,,,
100.013.324,214-656-2,1182-42-9,Cholest-5-ene-3-ß-yl octanoate,cholest-5-en-3-yl octanoate,CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3",C35H60O2,,,,,,SKLBBRQPVZDTNM-SJTWHRLHSA-N,,,,,,,,,,,
100.013.325,214-657-8,1182-65-6,Cholest-5-en-3ß-yl toluene-p-sulphonate,cholest-5-en-3-yl 4-methylbenzenesulfonate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)c5ccc(C)cc5,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)c5ccc(C)cc5,"InChI=1/C34H52O3S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(37-38(35,36)28-13-10-24(3)11-14-28)18-20-33(26,5)32(29)19-21-34(30,31)6/h10-14,23,25,27,29-32H,7-9,15-22H2,1-6H3",C34H52O3S,,,,,,RNZDACWUXZHQMI-CRQOXBRUSA-N,,,,,,,,,,,
100.013.326,214-658-3,1182-66-7,Cholest-5-ene-3-beta-yl nonanoate,cholest-5-en-3-yl nonanoate,CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3",C36H62O2,,,,,,WCLNGBQPTVENHV-MKQVXYPISA-N,,,,,,,,,,,
100.013.330,214-663-0,1183-35-3,"(20<U+03BE>)-3ß-[(6-deoxy-a-L-mannopyranosyl)oxy]-1ß,5ß,11a,14,19-pentahydroxycardanolide","3-[(6-deoxyhexopyranosyl)oxy]-1,5,11,14,19-pentahydroxycardanolide",CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C6COC(=O)C6)C(O)C(O)C1O,CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C6COC(=O)C6)C(O)C(O)C1O,"InChI=1/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3",C29H46O12,,,,,,ZTFGOPUOTATSAL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.184,215-602-0,1333-68-2,D-glucitol monooleate,1-O-oleoyl-D-glucitol,CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H46O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h9-10,20-21,23-27,29-30H,2-8,11-19H2,1H3",C24H46O7,,,,,,WERKSKAQRVDLDW-ANOHMWSOSA-N,,,,,,,,,,,
100.014.191,215-609-9,1333-86-4,Carbon black,methane,[C],[C],InChI=1/CH4/h1H4,-,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16056,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.191,OKTJSMMVPCPJKN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.193,215-612-5,1334-17-4,Choline methionine tartrate,"2-hydroxy-N,N,N-trimethylethanaminium 3-carboxy-2,3-dihydroxypropanoate - methionine (1:1)",CSCCC(N)C(=O)O.C[N+](C)(C)CCO.OC(C(O)C(=O)[O-])C(=O)O,CSCCC(N)C(=O)O.C[N+](C)(C)CCO.OC(C(O)C(=O)[O-])C(=O)O,"InChI=1/C5H11NO2S.C5H14NO.C4H6O6/c1-9-3-2-4(6)5(7)8;1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h4H,2-3,6H2,1H3,(H,7,8);7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q;+1;/p-1",-,,,,,,XAFWYCWEJZEEEW-UHFFFAOYSA-M,,,,,,,,,,,
100.014.203,215-623-5,1335-18-8,5-(isopropyl)-2-methylcyclohexen-1-yl acetate,5-isopropyl-2-methylcyclohex-1-en-1-yl acetate,CC(C)C1CCC(=C(C1)OC(=O)C)C,CC(C)C1CCC(=C(C1)OC(=O)C)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8,11H,5-7H2,1-4H3",C12H20O2,,,,,,FXHCRZPQIWGVNY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.204,215-624-0,1335-20-2,"Stearic acid, monoester with butanediol",4-hydroxybutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCO,CCCCCCCCCCCCCCCCCC(=O)OCCCCO,"InChI=1/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h23H,2-21H2,1H3",C22H44O3,,,,,,IKDHIMYPOLRLJB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.215,215-636-6,1335-49-5,"2-(hexadecanoyloxy)propionic acid, monoester with glycerol","2-(2,3-dihydroxypropoxy)-1-methyl-2-oxoethyl palmitate",CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OCC(O)CO,CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OCC(O)CO,"InChI=1/C22H42O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)28-19(2)22(26)27-18-20(24)17-23/h19-20,23-24H,3-18H2,1-2H3",C22H42O6,,,,,,DCOCIAQCXDPXPG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.217,215-638-7,1335-66-6,Isocyclocitral,"4,5,6-trimethylcyclohex-3-ene-1-carbaldehyde",CC1C(CC=C(C)C1C)C=O,CC1C(CC=C(C)C1C)C=O,"InChI=1/C10H16O/c1-7-4-5-10(6-11)9(3)8(7)2/h4,6,8-10H,5H2,1-3H3",C10H16O,,,,,,WOWFVHVOZAVABO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.498,214-848-6,1200-00-6,Isonicotinaldehyde thiosemicarbazone,isonicotinaldehyde thiosemicarbazone,NC(=S)N\\N=C\\c1ccncc1,NC(=S)N\N=C\c1ccncc1,"InChI=1/C7H8N4S/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H3,8,11,12)",C7H8N4S,,,,,,QTSJJDIDTYFLFC-BJMVGYQFSA-N,,,,,,,,,,,
100.013.502,214-852-8,1200-55-1,2-[(hydroxyimino)methyl]-1-methylpyridinium methyl sulphate,2-[(hydroxyimino)methyl]-1-methylpyridinium methyl sulfate,ON=Cc1cccc[n+]1C.[O-]S(=O)(=O)OC,ON=Cc1cccc[n+]1C.[O-]S(=O)(=O)OC,"InChI=1/C7H8N2O.CH4O4S/c1-9-5-3-2-4-7(9)6-8-10;1-5-6(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)",C7H9N2O.CH3O4S,,,,,,OVPHBYQAKDEEBD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.507,214-858-0,1201-38-3,"2',5'-dimethoxyacetophenone","1-(2,5-dimethoxyphenyl)ethanone",COc1ccc(OC)c(c1)C(=O)C,COc1ccc(OC)c(c1)C(=O)C,"InChI=1/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H3",C10H12O3,,,,,,FAXUIYJKGGUCBO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.516,214-868-5,1203-17-4,"1,1,2,3,3-pentamethylindan","1,1,2,3,3-pentamethylindane",CC1C(C)(C)c2ccccc2C1(C)C,CC1C(C)(C)c2ccccc2C1(C)C,"InChI=1/C14H20/c1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5/h6-10H,1-5H3",C14H20,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10418,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.516,ZCMKNGQFIXAHLP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.519,214-871-1,1203-86-7,"2,2-dichloro-1-(2,4,5-trichlorophenyl)ethan-1-one","2,2-dichloro-1-(2,4,5-trichlorophenyl)ethanone",ClC(Cl)C(=O)c1cc(Cl)c(Cl)cc1Cl,ClC(Cl)C(=O)c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H3Cl5O/c9-4-2-6(11)5(10)1-3(4)7(14)8(12)13/h1-2,8H",C8H3Cl5O,,,,,,WKJXVVFAALGBOH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.523,214-875-3,1204-29-1,"1-ethyl-2,4-dinitrobenzene","1-ethyl-2,4-dinitrobenzene",CCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-2-6-3-4-7(9(11)12)5-8(6)10(13)14/h3-5H,2H2,1H3",C8H8N2O4,,,,,,RPQSKHWNIKZEAI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.524,214-876-9,1204-30-4,6-(isopropyl)-3-methylcyclohex-2-en-1-yl acetate,6-isopropyl-3-methylcyclohex-2-en-1-yl acetate,CC(C)C1CCC(=CC1OC(=O)C)C,CC(C)C1CCC(=CC1OC(=O)C)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-8,11-12H,5-6H2,1-4H3",C12H20O2,,,,,,NADGBBLSBLDJEH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.525,214-877-4,1204-75-7,3-hydroxyquinoxaline-2-carboxylic acid,3-hydroxyquinoxaline-2-carboxylic acid,OC(=O)c1nc2ccccc2nc1O,OC(=O)c1nc2ccccc2nc1O,"InChI=1/C9H6N2O3/c12-8-7(9(13)14)10-5-3-1-2-4-6(5)11-8/h1-4H,(H,11,12)(H,13,14)",C9H6N2O3,,,,,,NMOWGWOAPRKWIR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.529,214-882-1,1205-30-7,4-chloro-5-sulphamoylbenzoic acid,4-chloro-3-sulfamoylbenzoic acid,NS(=O)(=O)c1cc(ccc1Cl)C(=O)O,NS(=O)(=O)c1cc(ccc1Cl)C(=O)O,"InChI=1/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)",C7H6ClNO4S,,,,,,FHQAWINGVCDTTG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.534,214-887-9,1205-91-0,p-phenylene di(acetate),"1,4-phenylene diacetate",CC(=O)Oc1ccc(OC(=O)C)cc1,CC(=O)Oc1ccc(OC(=O)C)cc1,"InChI=1/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3",C10H10O4,,,,,,AKOGNYJNGMLDOA-UHFFFAOYSA-N,,,,,,,,,,,
100.029.231,232-154-1,7789-27-7,Thallium fluoride,thallium(1+) fluoride,[F-].[Tl+],[F-].[Tl+],InChI=1/FH.Tl/h1H;/q;+1/p-1,FTl,,,,,,CULOEOTWMUCRSJ-UHFFFAOYSA-M,,,,,,,,,,,
100.029.235,232-158-3,7789-31-3,Bromic acid,bromic acid,OBr(=O)=O,OBr(=O)=O,"InChI=1/BrHO3/c2-1(3)4/h(H,2,3,4)",BrHO3,,,,,,SXDBWCPKPHAZSM-UHFFFAOYSA-N,,,,,,,,,,,
100.029.236,232-159-9,7789-33-5,Iodine bromide,-,BrI,BrI,InChI=1/BrI/c1-2,BrI,,,,,,CBEQRNSPHCCXSH-UHFFFAOYSA-N,,,,,,,,,,,
100.029.238,232-162-5,7789-39-1,Rubidium bromide,rubidium bromide,[Br-].[Rb+],[Br-].[Rb+],InChI=1/BrH.Rb/h1H;/q;+1/p-1,BrRb,,,,,,JAAGVIUFBAHDMA-UHFFFAOYSA-M,,,,,,,,,,,
100.029.239,232-163-0,7789-40-4,Thallium bromide,thallium(1+) bromide,[Br-].[Tl+],[Br-].[Tl+],InChI=1/BrH.Tl/h1H;/q;+1/p-1,BrTl,,,,,,PGAPATLGJSQQBU-UHFFFAOYSA-M,,,,,,,,,,,
100.025.679,228-246-6,6192-98-9,(-)-propylhexedrine hydrochloride,1-cyclohexyl-N-methylpropan-2-amine,CNC(C)CC1CCCCC1,CNC(C)CC1CCCCC1,"InChI=1/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",C10H21N.ClH,,,,,,JCRIVQIOJSSCQD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.681,228-248-7,6196-71-0,Didodecylphosphinic acid,didodecylphosphinic acid,CCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC,CCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC,"InChI=1/C24H51O2P/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)",C24H51O2P,,,,,,UWJCYVDGGSAERX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.696,228-264-4,6202-23-9,"3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(dimethyl)ammonium chloride","3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-aminium chloride",[Cl-].C[NH+](C)CCC=C1c2ccccc2C=Cc3ccccc13,[Cl-].C[NH+](C)CCC=C1c2ccccc2C=Cc3ccccc13,"InChI=1/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H",C20H21N.ClH,,,,,,VXEAYBOGHINOKW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.702,228-271-2,6204-41-7,"(E)-4-[(benzyloxy)methyl]-2-(bromomethyl)-1,3-dioxolane","4-[(benzyloxy)methyl]-2-(bromomethyl)-1,3-dioxolane",BrCC1OCC(COCc2ccccc2)O1,BrCC1OCC(COCc2ccccc2)O1,"InChI=1/C12H15BrO3/c13-6-12-15-9-11(16-12)8-14-7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2",C12H15BrO3,,,,,,XRDOVVFGDQXDTR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.709,228-279-6,6211-32-1,"Methyl (16ß,17a,20a)-17-hydroxyyohimban-16-carboxylate hydrochloride",methyl 17-hydroxyyohimban-16-carboxylate hydrochloride,Cl.COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,Cl.COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H",C21H26N2O3.ClH,,,,,,PIPZGJSEDRMUAW-ZKKXXTDSSA-N,,,,,,,,,,,
100.030.350,233-399-7,10140-89-3,"2,3-dichloropropionaldehyde","2,3-dichloropropanal",ClCC(Cl)C=O,ClCC(Cl)C=O,"InChI=1/C3H4Cl2O/c4-1-3(5)2-6/h2-3H,1H2",C3H4Cl2O,,,,,,IZRKUJREXIKAQM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.362,233-412-6,10143-60-9,Bis(2-ethylhexyl) ether,"3,3'-[oxybis(methylene)]diheptane",CCCCC(CC)COCC(CC)CCCC,CCCCC(CC)COCC(CC)CCCC,"InChI=1/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",C16H34O,,,,,,YHCCCMIWRBJYHG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.364,233-414-7,10147-36-1,Propanesulphonyl chloride,propane-1-sulfonyl chloride,CCCS(=O)(=O)Cl,CCCS(=O)(=O)Cl,"InChI=1/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3",C3H7ClO2S,,,,,,KPBSJEBFALFJTO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.366,233-416-8,10147-40-7,Dodecane-1-sulphonyl chloride,dodecane-1-sulfonyl chloride,CCCCCCCCCCCCS(=O)(=O)Cl,CCCCCCCCCCCCS(=O)(=O)Cl,"InChI=1/C12H25ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3",C12H25ClO2S,,,,,,PBULHKIPTBIZHO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.367,233-417-3,10147-41-8,Octadecane-1-sulphonyl chloride,octadecane-1-sulfonyl chloride,CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl,CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl,"InChI=1/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3",C18H37ClO2S,,,,,,VDRWNKIQBYUKGD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.126,226-538-8,5421-27-2,Isobutyl undec-10-enoate,isobutyl undec-10-enoate,CC(C)COC(=O)CCCCCCCCC=C,CC(C)COC(=O)CCCCCCCCC=C,"InChI=1/C15H28O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h4,14H,1,5-13H2,2-3H3",C15H28O2,,,,,,YXJSBTYPYXKWDB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.130,226-543-5,5421-92-1,4-pyridiniopyridinium dichloride,"1,4'-bipyridinium dichloride",[Cl-].[Cl-].c1cc[n+](cc1)c2cc[nH+]cc2,[Cl-].[Cl-].c1cc[n+](cc1)c2cc[nH+]cc2,InChI=1/C10H9N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h1-9H;2*1H/q+1;;/p-1,C10H9N2.ClH.Cl,,,,,,QZOFFMRDIRXGKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.013.540,214-894-7,1207-12-1,"4,6-dimethyldibenzothiophene","1,8-dimethyldibenzo[b,d]thiophene",Cc1ccc2sc3cccc(C)c3c2c1,Cc1ccc2sc3cccc(C)c3c2c1,"InChI=1/C14H12S/c1-9-6-7-12-11(8-9)14-10(2)4-3-5-13(14)15-12/h3-8H,1-2H3",C14H12S,,,,,,KMPJENUWHPZRGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.541,214-895-2,1207-69-8,9-chloroacridine,9-chloroacridine,Clc1c2ccccc2nc3ccccc13,Clc1c2ccccc2nc3ccccc13,InChI=1/C13H8ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,C13H8ClN,,,,,,BPXINCHFOLVVSG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.650,226-014-9,5220-49-5,3-aminocyclohex-2-en-1-one,3-aminocyclohex-2-en-1-one,NC1=CC(=O)CCC1,NC1=CC(=O)CCC1,"InChI=1/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2",C6H9NO,,,,,,ZZMRPOAHZITKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.657,226-022-2,5222-61-7,trans-1-(2-methylcyclohexyl)ethan-1-one,1-(2-methylcyclohexyl)ethanone,CC1CCCCC1C(=O)C,CC1CCCCC1C(=O)C,"InChI=1/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h7,9H,3-6H2,1-2H3",C9H16O,,,,,,VZELQXKHIHNPLU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.662,226-028-5,5230-78-4,"2,3,5,6-tetrafluorotoluene","1,2,4,5-tetrafluoro-3-methylbenzene",Cc1c(F)c(F)cc(F)c1F,Cc1c(F)c(F)cc(F)c1F,"InChI=1/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3",C7H4F4,,,,,,POMGTQLCZJZYAM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.663,226-029-0,5232-99-5,Etocrilene,"ethyl 2-cyano-3,3-diphenylacrylate",CCOC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,CCOC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,"InChI=1/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3",C18H15NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16357,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.663,IAJNXBNRYMEYAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.664,226-030-6,5234-06-0,[(2-naphthyloxy)methyl]oxirane,2-[(2-naphthyloxy)methyl]oxirane,C(Oc1ccc2ccccc2c1)C3CO3,C(Oc1ccc2ccccc2c1)C3CO3,"InChI=1/C13H12O2/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-9-15-13/h1-7,13H,8-9H2",C13H12O2,,,,,,BKYSFVJCBRHGMA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.677,226-044-2,5242-49-9,2-[4-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]phenyl]-5-methylbenzoxazole,"2-(4-{2-[4-(1,3-benzoxazol-2-yl)phenyl]vinyl}phenyl)-5-methyl-1,3-benzoxazole",Cc1ccc2oc(nc2c1)c3ccc(\\C=C\\c4ccc(cc4)c5oc6ccccc6n5)cc3,Cc1ccc2oc(nc2c1)c3ccc(\C=C\c4ccc(cc4)c5oc6ccccc6n5)cc3,"InChI=1/C29H20N2O2/c1-19-6-17-27-25(18-19)31-29(33-27)23-15-11-21(12-16-23)8-7-20-9-13-22(14-10-20)28-30-24-4-2-3-5-26(24)32-28/h2-18H,1H3",C29H20N2O2,,,,,,SOTPOQQKAUOHRO-BQYQJAHWSA-N,,,,,,,,,,,
100.023.680,226-047-9,5246-58-2,2-[(p-aminophenyl)sulphonyl]ethanol,2-[(4-aminophenyl)sulfonyl]ethanol,Nc1ccc(cc1)S(=O)(=O)CCO,Nc1ccc(cc1)S(=O)(=O)CCO,"InChI=1/C8H11NO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6,9H2",C8H11NO3S,,,,,,CSCNRHJJGXZFGX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.692,226-061-5,5257-20-5,"7,8-dioxabicyclo[3.2.1]octan-6-one","6,8-dioxabicyclo[3.2.1]octan-7-one",O=C1OC2CCCC1O2,O=C1OC2CCCC1O2,"InChI=1/C6H8O3/c7-6-4-2-1-3-5(8-4)9-6/h4-5H,1-3H2",C6H8O3,,,,,,FDTQYEHORIQWRC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.695,226-064-1,5259-50-7,Methyl 1-methoxybicyclo[2.2.2]oct-5-ene-2-carboxylate,methyl 1-methoxybicyclo[2.2.2]oct-5-ene-2-carboxylate,COC(=O)C1CC2CCC1(OC)C=C2,COC(=O)C1CC2CCC1(OC)C=C2,"InChI=1/C11H16O3/c1-13-10(12)9-7-8-3-5-11(9,14-2)6-4-8/h3,5,8-9H,4,6-7H2,1-2H3",C11H16O3,,,,,,DFEJFZWTBMJTQN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.698,226-067-8,5259-98-3,5-chloropentan-1-ol,5-chloropentan-1-ol,OCCCCCCl,OCCCCCCl,"InChI=1/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2",C5H11ClO,,,,,,DCBJCKDOZLTTDW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.441,215-885-0,1443-80-7,4'-cyanoacetophenone,4-acetylbenzonitrile,CC(=O)c1ccc(cc1)C#N,CC(=O)c1ccc(cc1)C#N,"InChI=1/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3",C9H7NO,,,,,,NLPHXWGWBKZSJC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.444,215-888-7,1444-65-1,2-phenylcyclohexanone,2-phenylcyclohexanone,O=C1CCCCC1c2ccccc2,O=C1CCCCC1c2ccccc2,"InChI=1/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2",C12H14O,,,,,,DRLVMOAWNVOSPE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.463,215-908-4,1449-46-3,Benzyltriphenylphosphonium bromide,benzyl(triphenyl)phosphonium bromide,[Br-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1",C25H22P.Br,,,,,,WTEPWWCRWNCUNA-UHFFFAOYSA-M,,,,,,,,,,,
100.014.466,215-912-6,1450-18-6,"1,1,1-trimethyl-2,2,2-triphenyldisilane","1,1,1-trimethyl-2,2,2-triphenyldisilane",C[Si](C)(C)[Si](c1ccccc1)(c2ccccc2)c3ccccc3,C[Si](C)(C)[Si](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H24Si2/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3",C21H24Si2,,,,,,BSFLZHNGSJZLQC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.470,215-916-8,1450-74-4,1-(5-chloro-2-hydroxyphenyl)ethan-1-one,1-(5-chloro-2-hydroxyphenyl)ethanone,CC(=O)c1cc(Cl)ccc1O,CC(=O)c1cc(Cl)ccc1O,"InChI=1/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3",C8H7ClO2,,,,,,XTGCUDZCCIRWHL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.542,228-096-1,6126-49-4,Tetrahydro-5-methylfuran-2-methanol,(5-methyltetrahydrofuran-2-yl)methanol,CC1CCC(CO)O1,CC1CCC(CO)O1,"InChI=1/C6H12O2/c1-5-2-3-6(4-7)8-5/h5-7H,2-4H2,1H3",C6H12O2,,,,,,PCZHHBOJPSQUNS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.550,228-104-3,6134-66-3,"Ethyl 2,2-dichloroacetoacetate",ethyl 4-chloro-2-(chloroacetyl)-3-oxobutanoate,CCOC(=O)C(C(=O)CCl)C(=O)CCl,CCOC(=O)C(C(=O)CCl)C(=O)CCl,"InChI=1/C8H10Cl2O4/c1-2-14-8(13)7(5(11)3-9)6(12)4-10/h7H,2-4H2,1H3",C6H8Cl2O3,,,,,,QJISDUHGLJYBOW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.553,228-108-5,6136-37-4,"3,7-dihydro-1-methyl-1H-purine-2,6-dione","1-methyl-3,9-dihydro-1H-purine-2,6-dione",CN1C(=O)Nc2[nH]cnc2C1=O,CN1C(=O)Nc2[nH]cnc2C1=O,"InChI=1/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)",C6H6N4O2,,,,,,MVOYJPOZRLFTCP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.554,228-109-0,6136-62-5,3-benzoylbenzonitrile,3-benzoylbenzonitrile,O=C(c1ccccc1)c2cccc(c2)C#N,O=C(c1ccccc1)c2cccc(c2)C#N,InChI=1/C14H9NO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,C14H9NO,,,,,,ICRUXLLOLAPKFS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.559,228-114-8,3/09/6137,3-ethylheptan-2-one,3-ethylheptan-2-one,CCCCC(CC)C(=O)C,CCCCC(CC)C(=O)C,"InChI=1/C9H18O/c1-4-6-7-9(5-2)8(3)10/h9H,4-7H2,1-3H3",C9H18O,,,,,,PPKSOKLRYCVQPM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.567,228-123-7,6138-90-5,"(E)-1-bromo-3,7-dimethylocta-2,6-diene","1-bromo-3,7-dimethylocta-2,6-diene",CC(=CCC\\C(=C\\CBr)\\C)C,CC(=CCC\C(=C\CBr)\C)C,"InChI=1/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3",C10H17Br,,,,,,JSCUZAYKVZXKQE-JXMROGBWSA-N,,,,,,,,,,,
100.025.579,228-136-8,6142-30-9,1-[2-(sulphonatooxy)ethyl]pyridinium,2-pyridinium-1-ylethyl sulfate,[O-]S(=O)(=O)OCC[n+]1ccccc1,[O-]S(=O)(=O)OCC[n+]1ccccc1,"InChI=1/C7H9NO4S/c9-13(10,11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C7H9NO4S,,,,,,VUOQDVJCGIRTJN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.581,228-138-9,6142-41-2,Carbonothioylbis(iminomethylene) bis(diethyldithiocarbamate),"8-ethyl-3,7-dithioxo-6-thia-2,4,8-triazadec-1-yl diethyldithiocarbamate",CCN(CC)C(=S)SCNC(=S)NCSC(=S)N(CC)CC,CCN(CC)C(=S)SCNC(=S)NCSC(=S)N(CC)CC,"InChI=1/C13H26N4S5/c1-5-16(6-2)12(19)21-9-14-11(18)15-10-22-13(20)17(7-3)8-4/h5-10H2,1-4H3,(H2,14,15,18)",C13H26N4S5,,,,,,SPQBHESGHZSSMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.582,228-139-4,6142-42-3,Sodium 3-[[(diethylamino)thioxomethyl]thio]propanesulphonate,sodium 3-[(diethylcarbamothioyl)sulfanyl]propane-1-sulfonate,[Na+].S=C(SCCCS(=O)(=O)[O-])N(CC)CC,[Na+].S=C(SCCCS(=O)(=O)[O-])N(CC)CC,"InChI=1/C8H17NO3S3.Na/c1-3-9(4-2)8(13)14-6-5-7-15(10,11)12;/h3-7H2,1-2H3,(H,10,11,12);/q;+1/p-1",C8H17NO3S3.Na,,,,,,UBZXVBQDYXZHHM-UHFFFAOYSA-M,,,,,,,,,,,
100.025.583,228-141-5,6142-57-0,cis-2-methylcyclopropanecarboxylic acid,2-methylcyclopropanecarboxylic acid,CC1CC1C(=O)O,CC1CC1C(=O)O,"InChI=1/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)",C5H8O2,,,,,,AYEGPMGNMOIHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.585,228-143-6,6142-95-6,Dehydrocinnamaldehyde-diethylacetal,"(3,3-diethoxyprop-1-yn-1-yl)benzene",CCOC(OCC)C#Cc1ccccc1,CCOC(OCC)C#Cc1ccccc1,"InChI=1/C13H16O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4H2,1-2H3",C13H16O2,,,,,,DTEGZYXCDQFSBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.624,225-986-1,5197-95-5,Benzyltriethylammonium bromide,"N-benzyl-N,N-diethylethanaminium bromide",[Br-].CC[N+](CC)(CC)Cc1ccccc1,[Br-].CC[N+](CC)(CC)Cc1ccccc1,"InChI=1/C13H22N.BrH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1",C13H22N.Br,,,,,,CHQVQXZFZHACQQ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.750,231-624-3,7659-45-2,3-chloro-2-methylpropionitrile,3-chloro-2-methylpropanenitrile,CC(CCl)C#N,CC(CCl)C#N,"InChI=1/C4H6ClN/c1-4(2-5)3-6/h4H,2H2,1H3",C4H6ClN,,,,,,XXZVBSPSFVERCB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.759,231-634-8,7664-39-3,Hydrogen fluoride,fluoride,[F-],[F-],InChI=1/FH/h1H/p-1,FH,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16074,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.759,KRHYYFGTRYWZRS-UHFFFAOYSA-M,,,,,,,,,,,
100.028.764,231-640-0,7665-72-7,(tert-butoxymethyl)oxirane,2-(tert-butoxymethyl)oxirane,CC(C)(C)OCC1CO1,CC(C)(C)OCC1CO1,"InChI=1/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3",C7H14O2,,,,,,SFJRUJUEMVAZLM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.771,231-647-9,6/07/7673,Tribenzylamine hydrochloride,"N,N-dibenzyl-1-phenylmethanamine hydrochloride",Cl.C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3,Cl.C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3,"InChI=1/C21H21N.ClH/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;/h1-15H,16-18H2;1H",C21H21N.ClH,,,,,,BTDHNWBIBZPIDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.773,231-650-5,7675-46-9,"N-[(2-nitrophenyl)thio]-L-alanine, compound with dicyclohexylamine (1:1)",N-[(2-nitrophenyl)sulfanyl]alanine - N-cyclohexylcyclohexanamine (1:1),C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O.C2CCC(CC2)NC3CCCCC3,C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C12H23N.C9H10N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(9(12)13)10-16-8-5-3-2-4-7(8)11(14)15/h11-13H,1-10H2;2-6,10H,1H3,(H,12,13)",C12H23N.C9H10N2O4S,,,,,,LGTGUPPUIQQLBP-ZCMDIHMWSA-N,,,,,,,,,,,
100.013.535,214-888-4,1206-13-9,1-(4-methylphenyl)cyclohexanecarbonitrile,1-(4-methylphenyl)cyclohexanecarbonitrile,Cc1ccc(cc1)C2(CCCCC2)C#N,Cc1ccc(cc1)C2(CCCCC2)C#N,"InChI=1/C14H17N/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3",C14H17N,,,,,,JFUXEEYLCATFIB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.542,214-896-8,1207-72-3,10-methyl-10H-phenothiazine,10-methyl-10H-phenothiazine,CN1c2ccccc2Sc3ccccc13,CN1c2ccccc2Sc3ccccc13,"InChI=1/C13H11NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H3",C13H11NS,,,,,,QXBUYALKJGBACG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.543,214-897-3,1207-75-6,"3-(2-hydroxyethyl)-1H,3H-quinazoline-2,4-dione","3-(2-hydroxyethyl)quinazoline-2,4(1H,3H)-dione",OCCN1C(=O)Nc2ccccc2C1=O,OCCN1C(=O)Nc2ccccc2C1=O,"InChI=1/C10H10N2O3/c13-6-5-12-9(14)7-3-1-2-4-8(7)11-10(12)15/h1-4,13H,5-6H2,(H,11,15)",C10H10N2O3,,,,,,DSUNWRHRAQZLNC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.544,214-898-9,1207-99-4,3-chloro-10H-phenothiazine,3-chloro-10H-phenothiazine,Clc1ccc2Nc3ccccc3Sc2c1,Clc1ccc2Nc3ccccc3Sc2c1,"InChI=1/C12H8ClNS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,14H",C12H8ClNS,,,,,,DPUVPRWTWNQSOS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.547,214-901-3,1208-67-9,Sodium 4-(2-methylprop-2-en-1-yl)benzenesulphonate,sodium 4-(2-methylprop-2-en-1-yl)benzenesulfonate,[Na+].CC(=C)Cc1ccc(cc1)S(=O)(=O)[O-],[Na+].CC(=C)Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C10H12O3S.Na/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13;/h3-6H,1,7H2,2H3,(H,11,12,13);/q;+1/p-1",C10H12O4S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17490,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.547,PEQVIVUTHKFBQM-UHFFFAOYSA-M,,,,,,,,,,,
100.023.649,226-013-3,5219-61-4,(phenylthio)acetonitrile,(phenylsulfanyl)acetonitrile,N#CCSc1ccccc1,N#CCSc1ccccc1,"InChI=1/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2",C8H7NS,,,,,,QMJWPWCKRKHUNY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.654,226-019-6,5221-44-3,N-4-pyridylbenzamide,N-pyridin-4-ylbenzamide,O=C(Nc1ccncc1)c2ccccc2,O=C(Nc1ccncc1)c2ccccc2,"InChI=1/C12H10N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-9H,(H,13,14,15)",C12H10N2O,,,,,,PNWVOLKZHJEWQU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.661,226-026-4,5226-98-2,Atropine O-(hydrogen sulphate),8-methyl-8-azabicyclo[3.2.1]oct-3-yl 2-phenyl-3-(sulfooxy)propanoate,CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)c3ccccc3,CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)c3ccccc3,"InChI=1/C17H23NO6S/c1-18-13-7-8-14(18)10-15(9-13)24-17(19)16(11-23-25(20,21)22)12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3,(H,20,21,22)",C17H23NO6S,,,,,,GMLBHJMTVBLXLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.669,226-035-3,5238-27-7,2-methylvaleryl chloride,2-methylpentanoyl chloride,CCCC(C)C(=O)Cl,CCCC(C)C(=O)Cl,"InChI=1/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3",C6H11ClO,,,,,,MFIQXAVMTLKUJR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.670,226-036-9,5238-38-0,Vinyl hydrogen adipate,6-oxo-6-(vinyloxy)hexanoic acid,OC(=O)CCCCC(=O)OC=C,OC(=O)CCCCC(=O)OC=C,"InChI=1/C8H12O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2H,1,3-6H2,(H,9,10)",C8H12O4,,,,,,PRQREXSTQVWUGV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.672,226-039-5,5239-43-0,5-oxocyclopent-1-ene-1-heptanoic acid,7-(5-oxocyclopent-1-en-1-yl)heptanoic acid,OC(=O)CCCCCCC1=CCCC1=O,OC(=O)CCCCCCC1=CCCC1=O,"InChI=1/C12H18O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h7H,1-6,8-9H2,(H,14,15)",C12H18O3,,,,,,LBOKTHVXIPFAJO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.673,226-040-0,5240-32-4,1-ethynylcyclohexyl acetate,1-ethynylcyclohexyl acetate,CC(=O)OC1(CCCCC1)C#C,CC(=O)OC1(CCCCC1)C#C,"InChI=1/C10H14O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h1H,4-8H2,2H3",C10H14O2,,,,,,YASSLXHVJQGNOK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.678,226-045-8,5244-34-8,"2,2'-ethylenedithiodiethanol","1,2-dithiocane-3,8-diol",OC1CCCCC(O)SS1,OC1CCCCC(O)SS1,"InChI=1/C6H12O2S2/c7-5-3-1-2-4-6(8)10-9-5/h5-8H,1-4H2",C6H14O2S2,,,,,,NXXCPZRGYCJCAS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.683,226-051-0,5250-39-5,Flucloxacillin,"6-({[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(F)cccc4Cl,Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(F)cccc4Cl,"InChI=1/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)",C19H17ClFN3O5S,,,,,,UIOFUWFRIANQPC-JKIFEVAISA-N,,,,,,,,,,,
100.023.685,226-053-1,5251-93-4,[(benzoylamino)oxy]acetic acid,[(benzoylamino)oxy]acetic acid,OC(=O)CONC(=O)c1ccccc1,OC(=O)CONC(=O)c1ccccc1,"InChI=1/C9H9NO4/c11-8(12)6-14-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)",C9H9NO4,,,,,,WDRGQGLIUAMOOC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.687,226-055-2,5254-41-1,N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxynaphthalene-2-carboxamide,N-[2-(2-acetamidophenyl)ethyl]-1-hydroxy-2-naphthamide,CC(=O)Nc1ccccc1CCNC(=O)c2ccc3ccccc3c2O,CC(=O)Nc1ccccc1CCNC(=O)c2ccc3ccccc3c2O,"InChI=1/C21H20N2O3/c1-14(24)23-19-9-5-3-7-16(19)12-13-22-21(26)18-11-10-15-6-2-4-8-17(15)20(18)25/h2-11,25H,12-13H2,1H3,(H,22,26)(H,23,24)",C21H20N2O3,,,,,,HNLJTZUJURZMTN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.131,226-544-0,5421-99-8,"2,5,5-trimethyl-2-propyl-1,3-dioxane","2,5,5-trimethyl-2-propyl-1,3-dioxane",CCCC1(C)OCC(C)(C)CO1,CCCC1(C)OCC(C)(C)CO1,"InChI=1/C10H20O2/c1-5-6-10(4)11-7-9(2,3)8-12-10/h5-8H2,1-4H3",C10H20O2,,,,,,YVIHJMSLCZGXLX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.118,228-730-7,6338-70-1,"Tetrahydrothiophen-3-amine 1,1-dioxide","tetrahydrothiophen-3-amine 1,1-dioxide",NC1CCS(=O)(=O)C1,NC1CCS(=O)(=O)C1,"InChI=1/C4H9NO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3,5H2",C4H9NO2S,,,,,,OVKIDXBGVUQFFC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.121,228-733-3,6341-24-8,D-histidine monohydrochloride,L-histidine hydrochloride,Cl.N[C@H](Cc1c[nH]cn1)C(=O)O,Cl.N[C@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H",C6H9N3O2.ClH,,,,,,QZNNVYOVQUKYSC-NUBCRITNSA-N,,,,,,,,,,,
100.027.752,230-526-8,7173-57-1,3-aminopropyl(octyl)amine,"N-octylpropane-1,3-diamine",CCCCCCCCNCCCN,CCCCCCCCNCCCN,"InChI=1/C11H26N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-12H2,1H3",C11H26N2,,,,,,KPZNJYFFUWANHA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.756,230-531-5,7173-65-1,N-methyldioleylamine,N-methyl-N-octadec-9-en-1-yloctadec-9-en-1-amine,CCCCCCCC\\C=C/CCCCCCCCN(C)CCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCN(C)CCCCCCCC\C=C/CCCCCCCC,"InChI=1/C37H73N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3",C37H73N,,,,,,KZWFMOHCIQNTCU-AUYXYSRISA-N,,,,,,,,,,,
100.027.764,230-539-9,7177-54-0,"Sodium [2S-(2a,5a,6ß)]-6-[(allylthio)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 6-{[(allylsulfanyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C(=O)O[Na],CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C(=O)O[Na],"InChI=1/C13H18N2O4S2.Na/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15;/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19);/q;+1/p-1",C13H18N2O4S2.Na,,,,,,FSWBZIFHYODUAB-UHFFFAOYSA-M,,,,,,,,,,,
100.027.765,230-540-4,7179-50-2,Oxytetracycline calcium,"calcium 9-carbamoyl-7-(dimethylamino)-5,6,10a,11-tetrahydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-diolate",[Ca+2].CN(C)[C@@H]3C(\\[O-])=C(\\C(N)=O)C(=O)[C@@]4(O)C(/O)=C2/C(=O)c1c(cccc1[O-])[C@@](C)(O)[C@H]2[C@H](O)[C@@H]34,[Ca+2].CN(C)[C@@H]3C(\[O-])=C(\C(N)=O)C(=O)[C@@]4(O)C(/O)=C2/C(=O)c1c(cccc1[O-])[C@@](C)(O)[C@H]2[C@H](O)[C@@H]34,"InChI=1/C22H24N2O9.Ca/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;+2/p-2",C22H24N2O9.Ca,,,,,,QJHKFWPAQRFQBG-IFLJXUKPSA-L,,,,,,,,,,,
100.027.776,230-553-5,7188-38-7,2-methylpropyl isocyanide,1-isocyano-2-methylpropane,CC(C)C[N+]#[C-],CC(C)C[N+]#[C-],"InChI=1/C5H9N/c1-5(2)4-6-3/h5H,4H2,1-2H3",C5H9N,,,,,,SSWVVEYZXQCZNK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.777,230-554-0,7189-69-7,"1,1'-sulphonylbis-1H-imidazole","1,1'-sulfonylbis(1H-imidazole)",O=S(=O)(n1ccnc1)n2ccnc2,O=S(=O)(n1ccnc1)n2ccnc2,"InChI=1/C6H6N4O2S/c11-13(12,9-3-1-7-5-9)10-4-2-8-6-10/h1-6H",C6H6N4O2S,,,,,,ZLKNPIVTWNMMMH-UHFFFAOYSA-N,,,,,,,,,,,
100.029.243,232-167-2,7789-45-9,Copper dibromide,copper(2+) dibromide,[Cu+2].[Br-].[Br-],[Cu+2].[Br-].[Br-],InChI=1/2BrH.Cu/h2*1H;/q;;+2/p-2,Br2Cu,,,,,,QTMDXZNDVAMKGV-UHFFFAOYSA-L,,,,,,,,,,,
100.029.245,232-169-3,7789-47-1,Mercury dibromide,mercury dibromide,[Br-].[Br-].[Hg+2],[Br-].[Br-].[Hg+2],InChI=1/2BrH.Hg/h2*1H;/q;;+2/p-2,Br2Hg,,,,,,NGYIMTKLQULBOO-UHFFFAOYSA-L,,,,,,,,,,,
100.024.501,226-950-8,5575-49-5,Diisopropoxydimethylsilane,diisopropoxy(dimethyl)silane,CC(C)O[Si](C)(C)OC(C)C,CC(C)O[Si](C)(C)OC(C)C,"InChI=1/C8H20O2Si/c1-7(2)9-11(5,6)10-8(3)4/h7-8H,1-6H3",C8H20O2Si,,,,,,BPXCAJONOPIXJI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.506,226-956-0,5578-42-7,Dichlorocyclohexylmethylsilane,[dichloro(cyclohexyl)methyl]silane,[SiH3]C(Cl)(Cl)C1CCCCC1,[SiH3]C(Cl)(Cl)C1CCCCC1,"InChI=1/C7H14Cl2Si/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2,10H3",C7H14Cl2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11083,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.506,PNXIHZWLWAQNKC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.509,226-959-7,5578-82-5,"1,4-dioxacyclotetradecane-5,14-dione","1,4-dioxacyclotetradecane-5,14-dione",O=C1CCCCCCCCC(=O)OCCO1,O=C1CCCCCCCCC(=O)OCCO1,InChI=1/C12H20O4/c13-11-7-5-3-1-2-4-6-8-12(14)16-10-9-15-11/h1-10H2,C12H20O4,,,,,,XFQHIELVPOKJIM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.510,226-960-2,6/06/5579,Pentalamide,2-(pentyloxy)benzamide,CCCCCOc1ccccc1C(=O)N,CCCCCOc1ccccc1C(=O)N,"InChI=1/C12H17NO2/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3,(H2,13,14)",C12H17NO2,,,,,,UHYJMNVCANOFPF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.514,226-964-4,5579-81-7,Aldioxa,"aluminum dihydroxide 4-(carbamoylamino)-5-oxo-4,5-dihydro-1H-imidazol-2-olate",NC(=O)NC1N=C(NC1=O)O[Al](O)O,NC(=O)NC1N=C(NC1=O)O[Al](O)O,"InChI=1/C4H6N4O3.Al.2H2O/c5-3(10)6-1-2(9)8-4(11)7-1;;;/h1H,(H3,5,6,10)(H2,7,8,9,11);;2*1H2/q;+3;;/p-3/rC4H7AlN4O5/c6-3(11)7-1-2(10)9-4(8-1)14-5(12)13/h1,12-13H,(H3,6,7,11)(H,8,9,10)",C4H7AlN4O5,,,,,,JBSKYLXIYKLOLP-UHFFFAOYSA-K,,,,,,,,,,,
100.024.518,226-969-1,5579-93-1,Iopydone,"3,5-diiodopyridin-4(1H)-one",IC1=CNC=C(I)C1=O,IC1=CNC=C(I)C1=O,"InChI=1/C5H3I2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)",C5H3I2NO,,,,,,FRPFEVLOFNAKBS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.473,215-919-4,1452-15-9,Thiazole-4-carbonitrile,"1,3-thiazole-4-carbonitrile",N#Cc1cscn1,N#Cc1cscn1,InChI=1/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H,C4H2N2S,,,,,,PNAFRZGWUVQUKH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.475,215-922-0,1453-24-3,1-ethylcyclohexene,1-ethylcyclohexene,CCC1=CCCCC1,CCC1=CCCCC1,"InChI=1/C8H14/c1-2-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3",C8H14,,,,,,IFVMAGPISVKRAR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.485,215-933-0,1455-13-6,Methan(2H)ol,methanol,CO,CO,"InChI=1/CH4O/c1-2/h2H,1H3",CH3DO,,,,,,OKKJLVBELUTLKV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.486,215-934-6,1455-18-1,3-methylbenzo[b]thiophene,3-methyl-1-benzothiophene,Cc1csc2ccccc12,Cc1csc2ccccc12,"InChI=1/C9H8S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3",C9H8S,,,,,,SEBRPHZZSLCDRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.233,215-656-5,1337-83-3,Undecenal,undec-2-enal,CCCCCCCCC=CC=O,CCCCCCCCC=CC=O,"InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3",C11H20O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17331,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.233,PANBRUWVURLWGY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.254,215-679-0,1341-81-7,"Mannitan, monohexadecanoate","1,4-anhydro-2-O-palmitoylhexitol",CCCCCCCCCCCCCCCC(=O)OC1COC(C(O)CO)C1O,CCCCCCCCCCCCCCCC(=O)OC1COC(C(O)CO)C1O,"InChI=1/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)28-19-17-27-22(21(19)26)18(24)16-23/h18-19,21-24,26H,2-17H2,1H3",C22H42O6,,,,,,ZRAUKFCDNIBNCO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.550,214-905-5,1208-88-4,p-(phenylthio)benzaldehyde,4-(phenylsulfanyl)benzaldehyde,O=Cc1ccc(Sc2ccccc2)cc1,O=Cc1ccc(Sc2ccccc2)cc1,InChI=1/C13H10OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H,C13H10OS,,,,,,VDNBWBPUFMZCEW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.552,214-907-6,1209-66-1,"10H-phenothiazine 5,5-dioxide","10H-phenothiazine 5,5-dioxide",O=S1(=O)c2ccccc2Nc3ccccc13,O=S1(=O)c2ccccc2Nc3ccccc13,"InChI=1/C12H9NO2S/c14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16/h1-8,13H",C12H9NO2S,,,,,,ZAYUOSICZWFJSW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.555,214-910-2,1210-33-9,"5-chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene","5-chloro-10,11-dihydro-5H-dibenzo[a,d][7]annulene",ClC1c2ccccc2CCc3ccccc13,ClC1c2ccccc2CCc3ccccc13,"InChI=1/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2",C15H13Cl,,,,,,QPERNSDCEUTOTE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.561,214-917-0,1211-28-5,Prolintane hydrochloride,1-(1-benzylbutyl)pyrrolidine hydrochloride,Cl.CCCC(Cc1ccccc1)N2CCCC2,Cl.CCCC(Cc1ccccc1)N2CCCC2,"InChI=1/C15H23N.ClH/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14;/h3-5,9-10,15H,2,6-8,11-13H2,1H3;1H",C15H23N.ClH,,,,,,FKOFBBOQSMUYHD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.566,214-922-8,1212-53-9,Methyl N-benzyloxycarbonylglycinate,methyl N-[(benzyloxy)carbonyl]glycinate,COC(=O)CNC(=O)OCc1ccccc1,COC(=O)CNC(=O)OCc1ccccc1,"InChI=1/C11H13NO4/c1-15-10(13)7-12-11(14)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)",C11H13NO4,,,,,,DZYBBBYFLOPVOL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.572,214-929-6,1215-57-2,"N,N'-methanetetrayldi-o-toluidine","N,N'-bis(2-methylphenyl)carbodiimide",Cc1ccccc1N=C=Nc2ccccc2C,Cc1ccccc1N=C=Nc2ccccc2C,"InChI=1/C15H14N2/c1-12-7-3-5-9-14(12)16-11-17-15-10-6-4-8-13(15)2/h3-10H,1-2H3",C15H14N2,,,,,,JCNCSCMYYGONLU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.585,214-943-2,1219-38-1,Octyl 4-hydroxybenzoate,octyl 4-hydroxybenzoate,CCCCCCCCOC(=O)c1ccc(O)cc1,CCCCCCCCOC(=O)c1ccc(O)cc1,"InChI=1/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3",C15H22O3,,,,,,RIKCMEDSBFQFAL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.586,214-944-8,1220-94-6,1-amino-4-(methylamino)anthraquinone,"1-amino-4-(methylamino)-9,10-anthraquinone",CNc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C15H12N2O2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,16H2,1H3",C15H12N2O2,,,,,,ICVRBKCRXNVOJC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.595,214-954-2,1225-15-6,"6,7-dichloro-1,4-dihydroxyanthraquinone","6,7-dichloro-1,4-dihydroxy-9,10-anthraquinone",Oc1ccc(O)c2C(=O)c3cc(Cl)c(Cl)cc3C(=O)c12,Oc1ccc(O)c2C(=O)c3cc(Cl)c(Cl)cc3C(=O)c12,"InChI=1/C14H6Cl2O4/c15-7-3-5-6(4-8(7)16)14(20)12-10(18)2-1-9(17)11(12)13(5)19/h1-4,17-18H",C14H6Cl2O4,,,,,,GWFVWUQOSJGENT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.702,226-072-5,5261-46-1,2-(1-naphthylmethylthio)propionic acid,2-[(1-naphthylmethyl)sulfanyl]propanoic acid,CC(SCc1cccc2ccccc12)C(=O)O,CC(SCc1cccc2ccccc12)C(=O)O,"InChI=1/C14H14O2S/c1-10(14(15)16)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,16)",C14H14O2S,,,,,,CAGUQMQWIJSSPX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.778,231-655-2,7675-62-9,"N6-[(benzyloxy)carbonyl]-N2-[(2-nitrophenyl)thio]-L-lysine, compound with dicyclohexylamine (1:1)",N~6~-[(benzyloxy)carbonyl]-N~2~-[(2-nitrophenyl)sulfanyl]-L-lysine - N-cyclohexylcyclohexanamine (1:1),OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NSc2ccccc2[N+](=O)[O-].C3CCC(CC3)NC4CCCCC4,OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NSc2ccccc2[N+](=O)[O-].C3CCC(CC3)NC4CCCCC4,"InChI=1/C20H23N3O6S.C12H23N/c24-19(25)16(22-30-18-12-5-4-11-17(18)23(27)28)10-6-7-13-21-20(26)29-14-15-8-2-1-3-9-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-5,8-9,11-12,16,22H,6-7,10,13-14H2,(H,21,26)(H,24,25);11-13H,1-10H2",C20H23N3O6S.C12H23N,,,,,,IDFALBBCOITBRZ-NTISSMGPSA-N,,,,,,,,,,,
100.028.780,231-657-3,7677-24-9,Trimethylsilylcarbonitrile,trimethylsilanecarbonitrile,C[Si](C)(C)C#N,C[Si](C)(C)C#N,"InChI=1/C4H9NSi/c1-6(2,3)4-5/h1-3H3",C4H9NSi,,,,,,LEIMLDGFXIOXMT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.786,231-664-1,7681-32-5,Rolitetracycline nitrate,"4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(pyrrolidin-1-ylmethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide nitrate (salt)",CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O.O[N+](=O)[O-],CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O.O[N+](=O)[O-],"InChI=1/C27H33N3O8.HNO3/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30;2-1(3)4/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36);(H,2,3,4)",C27H33N3O8.xHNO3,,,,,,BQYJYUVCGMONDI-GGLKHSNMSA-N,,,,,,,,,,,
100.013.342,214-676-1,1184-84-5,Ethylenesulphonic acid,ethenesulfonic acid,OS(=O)(=O)C=C,OS(=O)(=O)C=C,"InChI=1/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)",C2H4O3S,,,,,,NLVXSWCKKBEXTG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.349,214-684-5,1185-53-1,"2-amino-2-(hydroxymethyl)propane-1,3-diol hydrochloride","2-amino-2-(hydroxymethyl)propane-1,3-diol hydrochloride",Cl.NC(CO)(CO)CO,Cl.NC(CO)(CO)CO,"InChI=1/C4H11NO3.ClH/c5-4(1-6,2-7)3-8;/h6-8H,1-3,5H2;1H",C4H11NO3.ClH,,,,,,QKNYBSVHEMOAJP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.350,214-685-0,1185-55-3,Trimethoxy(methyl)silane,trimethoxy(methyl)silane,CO[Si](C)(OC)OC,CO[Si](C)(OC)OC,"InChI=1/C4H12O3Si/c1-5-8(4,6-2)7-3/h1-4H3",C4H12O3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14707,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.350,BFXIKLCIZHOAAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.353,214-688-7,1185-81-5,Dibutylbis(dodecylthio)stannane,dibutyl[bis(dodecylsulfanyl)]stannane,CCCCCCCCCCCCS[Sn](CCCC)(CCCC)SCCCCCCCCCCCC,CCCCCCCCCCCCS[Sn](CCCC)(CCCC)SCCCCCCCCCCCC,"InChI=1/2C12H26S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-4-2;/h2*13H,2-12H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H68S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-33-35(31-11-7-3,32-12-8-4)34-30-28-26-24-22-20-18-16-14-10-6-2/h5-32H2,1-4H3",C32H68S2Sn,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12090,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.353,FFGHLLOLFQHABK-UHFFFAOYSA-L,,,,,,,,,,,
100.013.356,214-691-3,1186-49-8,Sodium hydrogen oxalate,sodium hydrogen oxalate,[Na+].[O-]C(=O)C(=O)[O-],[Na+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Na/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-2",C2H2O4.Na,,,,,,UJRAXLUXHBUNDO-UHFFFAOYSA-L,,,,,,,,,,,
100.013.358,214-693-4,1186-52-3,[2H3]acetic [2H]acid,acetic acid,CC(=O)O,CC(=O)O,"InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",C2D4O2,,,,,,QTBSBXVTEAMEQO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.365,214-701-6,1187-84-4,S-methyl-L-cysteine,S-methyl-L-cysteine,OC(=O)[C@@H](N)CSC,OC(=O)[C@@H](N)CSC,"InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2S,,,,,,IDIDJDIHTAOVLG-VKHMYHEASA-N,,,,,,,,,,,
100.013.370,214-706-3,1188-21-2,N-acetylleucine,N-acetylleucine,CC(C)CC(NC(=O)C)C(=O)O,CC(C)CC(NC(=O)C)C(=O)O,"InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)",C8H15NO3,,,,,,WXNXCEHXYPACJF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.376,215-813-8,1420-07-1,Dinoterb,"2-tert-butyl-4,6-dinitrophenol",CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3",C10H12N2O5,,,,,,IIPZYDQGBIWLBU-UHFFFAOYSA-N,Negative,,,,,,EQ310951|EQ310952|EQ310953|EQ310954|EQ310955|EQ310956,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,239.0673:207.041:176.0351|239.0674:207.0411:209.0693|239.0674:207.0411:209.0693|207.0411:239.0674:151.0764|207.0411:177.0431:151.0764|207.0411:176.0353:177.043,Eawag
100.014.377,215-814-3,1420-27-5,a-[(isopropylamino)methyl]vanillyl alcohol hydrochloride,4-[1-hydroxy-2-(isopropylamino)ethyl]-2-methoxyphenol hydrochloride,Cl.COc1cc(ccc1O)C(O)CNC(C)C,Cl.COc1cc(ccc1O)C(O)CNC(C)C,"InChI=1/C12H19NO3.ClH/c1-8(2)13-7-11(15)9-4-5-10(14)12(6-9)16-3;/h4-6,8,11,13-15H,7H2,1-3H3;1H",C12H19NO3.ClH,,,,,,FBJGAKKBRRBUOG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.378,215-815-9,1420-36-6,S-acetoacetylcoenzyme A,"S-{17-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name)",CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23,"InChI=1/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)",C25H40N7O18P3S,,,,,,OJFDKHTZOUZBOS-CITAKDKDSA-N,,,,,,,,,,,
100.024.523,226-974-9,5581-31-7,"4-(1,2-dihydroxy-1-methylethyl)-1-methylcyclohexane-1,2-diol","4-(1,2-dihydroxy-1-methylethyl)-1-methylcyclohexane-1,2-diol",CC(O)(CO)C1CCC(C)(O)C(O)C1,CC(O)(CO)C1CCC(C)(O)C(O)C1,"InChI=1/C10H20O4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8,11-14H,3-6H2,1-2H3",C10H20O4,,,,,,QEFNQQRVZDFDIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.528,226-980-1,5581-68-0,Tributoxymethylsilane,(tributoxymethyl)silane,CCCCOC([SiH3])(OCCCC)OCCCC,CCCCOC([SiH3])(OCCCC)OCCCC,"InChI=1/C13H30O3Si/c1-4-7-10-14-13(17,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3,17H3",C13H30O3Si,,,,,,IAHONTJQHCFPGF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.533,226-985-9,5586-87-8,N-(3-chloropropyl)-a-methylphenethylamine hydrochloride,3-chloro-N-(1-methyl-2-phenylethyl)propan-1-amine hydrochloride,Cl.CC(Cc1ccccc1)NCCCCl,Cl.CC(Cc1ccccc1)NCCCCl,"InChI=1/C12H18ClN.ClH/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12;/h2-4,6-7,11,14H,5,8-10H2,1H3;1H",C12H18ClN.ClH,,,,,,IDHNGYVCZUQHFV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.537,226-990-6,5587-62-2,Diisocyanatodimethylsilane,diisocyanato(dimethyl)silane,C[Si](C)(N=C=O)N=C=O,C[Si](C)(N=C=O)N=C=O,"InChI=1/C4H6N2O2Si/c1-9(2,5-3-7)6-4-8/h1-2H3",C4H6N2O2Si,,,,,,ICFCQEJDICSLOV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.540,226-993-2,3/10/5588,Methoxyphenamine hydrochloride,1-(2-methoxyphenyl)-N-methylpropan-2-amine,CNC(C)Cc1ccccc1OC,CNC(C)Cc1ccccc1OC,"InChI=1/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3",C11H17NO.ClH,,,,,,OEHAYUOVELTAPG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.541,226-994-8,5588-16-9,Altizide,"3-[(allylsulfanyl)methyl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl,NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl,"InChI=1/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)",C11H14ClN3O4S3,,,,,,VGLGVJVUHYTIIU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.542,226-995-3,5588-20-5,Clodantoin,"5-(1-ethylpentyl)-3-[(trichloromethyl)sulfanyl]imidazolidine-2,4-dione",CCCCC(CC)C1NC(=O)N(SC(Cl)(Cl)Cl)C1=O,CCCCC(CC)C1NC(=O)N(SC(Cl)(Cl)Cl)C1=O,"InChI=1/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18)",C11H17Cl3N2O2S,,,,,,VOGJJBHRUDVEFM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.726,228-297-4,6221-92-7,Cyclododecyl acetate,cyclododecyl acetate,CC(=O)OC1CCCCCCCCCCC1,CC(=O)OC1CCCCCCCCCCC1,"InChI=1/C14H26O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3",C14H26O2,,,,,,AWJATTSJDXARCL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.727,228-299-5,6221-93-8,Dodecyl propionate,dodecyl propionate,CCCCCCCCCCCCOC(=O)CC,CCCCCCCCCCCCOC(=O)CC,"InChI=1/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3",C15H30O2,,,,,,FVGJPCFYGPKBKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.729,228-301-4,6221-96-1,Hexadecyl propionate,hexadecyl propionate,CCCCCCCCCCCCCCCCOC(=O)CC,CCCCCCCCCCCCCCCCOC(=O)CC,"InChI=1/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h3-18H2,1-2H3",C19H38O2,,,,,,RSRQBSGZMPVCOI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.732,228-305-6,6222-56-6,Disodium 4-hydroxy-6-(phenylamino)-3-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 6-anilino-4-hydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2ccc(cc2c3O)Nc4ccccc4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2ccc(cc2c3O)Nc4ccccc4)S([O-])(=O)=O,"InChI=1/C22H17N3O7S2.2Na/c26-22-19-13-17(23-15-4-2-1-3-5-15)7-6-14(19)12-20(34(30,31)32)21(22)25-24-16-8-10-18(11-9-16)33(27,28)29;;/h1-13,23,26H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C22H17N3O7S2.2Na,,,,,,UPHLWZQAMNVWEX-UHFFFAOYSA-L,,,,,,,,,,,
100.025.736,228-309-8,6223-35-4,Sodium gualenate,"sodium 5-isopropyl-3,8-dimethylazulene-1-sulfonate",[Na+].CC(C)c1ccc(C)c2c(cc(C)c2c1)S(=O)(=O)[O-],[Na+].CC(C)c1ccc(C)c2c(cc(C)c2c1)S(=O)(=O)[O-],"InChI=1/C15H18O3S.Na/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;/h5-9H,1-4H3,(H,16,17,18);/q;+1/p-1",C15H18O3S.Na,,,,,,GEYJUFBPCGDENK-UHFFFAOYSA-M,,,,,,,,,,,
100.025.737,228-310-3,6223-78-5,"2,5-dichloro-2,5-dimethylhexane","2,5-dichloro-2,5-dimethylhexane",CC(C)(Cl)CCC(C)(C)Cl,CC(C)(Cl)CCC(C)(C)Cl,"InChI=1/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3",C8H16Cl2,,,,,,HSTAGCWQAIXJQM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.741,228-315-0,6224-99-3,Dodecanediamide,dodecanediamide,NC(=O)CCCCCCCCCCC(=O)N,NC(=O)CCCCCCCCCCC(=O)N,"InChI=1/C12H24N2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16/h1-10H2,(H2,13,15)(H2,14,16)",C12H24N2O2,,,,,,FTZSDHHWPWGCDI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.742,228-316-6,5/06/6225,"N,N-dimethylvaleramide","N,N-dimethylpentanamide",CCCCC(=O)N(C)C,CCCCC(=O)N(C)C,"InChI=1/C7H15NO/c1-4-5-6-7(9)8(2)3/h4-6H2,1-3H3",C7H15NO,,,,,,BNODIVYXTGTUPS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.704,226-074-6,9/09/5262,1-methyl N-[N-[N-[N-[(tert-butoxy)carbonyl]-L-tryptophyl]-L-methionyl]-L-a-aspartyl]-3-phenyl-L-alaninate,methyl N-(tert-butoxycarbonyl)-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninate,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C,"InChI=1/C35H45N5O9S/c1-35(2,3)49-34(47)40-26(18-22-20-36-24-14-10-9-13-23(22)24)31(44)37-25(15-16-50-5)30(43)38-27(19-29(41)42)32(45)39-28(33(46)48-4)17-21-11-7-6-8-12-21/h6-14,20,25-28,36H,15-19H2,1-5H3,(H,37,44)(H,38,43)(H,39,45)(H,40,47)(H,41,42)",C35H45N5O9S,,,,,,IIKFSOBAQUIBGK-LJWNLINESA-N,,,,,,,,,,,
100.023.705,226-075-1,2/10/5262,"(2S-cis)-5-benzyl-3,6-dioxopiperazine-2-acetic acid","(5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid",OC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O,OC(=O)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O,"InChI=1/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)",C13H14N2O4,,,,,,VNHJXYUDIBQDDX-UWVGGRQHSA-N,,,,,,,,,,,
100.023.710,226-080-9,5264-65-3,"4-chloro-3,5-dinitrotoluene","2-chloro-5-methyl-1,3-dinitrobenzene",Cc1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],Cc1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H5ClN2O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3",C7H5ClN2O4,,,,,,JMDVARRGYWIJGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.717,226-088-2,5270-30-4,"1,7-dihydro-6H-purine-6-selone","1,9-dihydro-6H-purine-6-selone",[Se]=C1NC=Nc2[nH]cnc12,[Se]=C1NC=Nc2[nH]cnc12,"InChI=1/C5H4N4Se/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",C5H4N4Se,,,,,,CBQUIPFQFZFJAA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.718,226-089-8,5270-74-6,2-(4-chloro-3-sulphamoylbenzoyl)benzoic acid,2-(4-chloro-3-sulfamoylbenzoyl)benzoic acid,NS(=O)(=O)c1cc(ccc1Cl)C(=O)c2ccccc2C(=O)O,NS(=O)(=O)c1cc(ccc1Cl)C(=O)c2ccccc2C(=O)O,"InChI=1/C14H10ClNO5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)(H2,16,20,21)",C14H10ClNO5S,,,,,,UKRADWWBRBBJLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.722,226-094-5,5272-36-6,3-(trimethylsilyl)-2-propyn-1-ol,3-(trimethylsilyl)prop-2-yn-1-ol,C[Si](C)(C)C#CCO,C[Si](C)(C)C#CCO,"InChI=1/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3",C6H12OSi,,,,,,ZVGCJDPEKKEYES-UHFFFAOYSA-N,,,,,,,,,,,
100.023.724,226-096-6,5273-86-9,"2,4,5-trimethoxypropen-1-ylbenzene","1,2,4-tris(1-methoxyprop-1-en-1-yl)benzene",COC(=CC)c1cc(ccc1C(=CC)OC)C(=CC)OC,COC(=CC)c1cc(ccc1C(=CC)OC)C(=CC)OC,"InChI=1/C18H24O3/c1-7-16(19-4)13-10-11-14(17(8-2)20-5)15(12-13)18(9-3)21-6/h7-12H,1-6H3",C12H16O3,,,,,,WQWDDSFYWIODCU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.725,226-097-1,5274-68-0,"3,6,9,12-tetraoxatetracosan-1-ol","3,6,9,12-tetraoxatetracosan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCO,CCCCCCCCCCCCOCCOCCOCCOCCO,"InChI=1/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3",C20H42O5,,,,,,WPMWEFXCIYCJSA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.726,226-098-7,5274-70-4,3-nitrosalicylaldehyde,2-hydroxy-3-nitrobenzaldehyde,Oc1c(C=O)cccc1[N+](=O)[O-],Oc1c(C=O)cccc1[N+](=O)[O-],"InChI=1/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H",C7H5NO4,,,,,,NUGOTBXFVWXVTE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.731,226-103-2,5280-68-2,"N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide","N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide",COc5cc(NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2OC)C(=O)Nc3ccccc3)c4O)c(cc5Cl)OC,COc5cc(NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2OC)C(=O)Nc3ccccc3)c4O)c(cc5Cl)OC,"InChI=1/C33H27ClN4O6/c1-42-27-14-13-20(32(40)35-21-10-5-4-6-11-21)16-26(27)37-38-30-22-12-8-7-9-19(22)15-23(31(30)39)33(41)36-25-18-28(43-2)24(34)17-29(25)44-3/h4-18,39H,1-3H3,(H,35,40)(H,36,41)",C33H27ClN4O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14808,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.731,HEKSHDRHZRCZBN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.733,226-105-3,5280-74-0,"N,N'-(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[4-[(2-chlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]","1-[(2-chlorophenyl)diazenyl]-N-[3,3'-dichloro-4'-({4-[(2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthoyl}amino)biphenyl-4-yl]-3-hydroxy-2-naphthamide",Oc1cc2ccccc2c(N=Nc3ccccc3Cl)c1C(=O)Nc4ccc(cc4Cl)c5ccc(NC(=O)c6cc7ccccc7c(N=Nc8ccccc8Cl)c6O)c(Cl)c5,Oc1cc2ccccc2c(N=Nc3ccccc3Cl)c1C(=O)Nc4ccc(cc4Cl)c5ccc(NC(=O)c6cc7ccccc7c(N=Nc8ccccc8Cl)c6O)c(Cl)c5,"InChI=1/C46H28Cl4N6O4/c47-32-13-5-7-15-38(32)53-55-42-29-11-3-2-10-28(29)24-40(57)41(42)46(60)52-37-20-18-26(23-35(37)50)25-17-19-36(34(49)22-25)51-45(59)31-21-27-9-1-4-12-30(27)43(44(31)58)56-54-39-16-8-6-14-33(39)48/h1-24,57-58H,(H,51,59)(H,52,60)",C46H28Cl4N6O4,,,,,,GFRGSQHSTQTXIS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.738,226-111-6,5282-80-4,Pentamethonium iodide,"N,N,N,N',N',N'-hexamethylpentane-1,5-diaminium diiodide",[I-].[I-].C[N+](C)(C)CCCCC[N+](C)(C)C,[I-].[I-].C[N+](C)(C)CCCCC[N+](C)(C)C,"InChI=1/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2",C11H28N2.2I,,,,,,SRFSMBZBBSVMKO-UHFFFAOYSA-L,,,,,,,,,,,
100.023.739,226-112-1,5283-66-9,Octyltrichlorosilane,trichloro(octyl)silane,CCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C8H17Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3",C8H17Cl3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14159,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.739,RCHUVCPBWWSUMC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.493,215-941-4,1457-47-2,3-allylrhodanine,"3-allyl-2-thioxo-1,3-thiazolidin-4-one",C=CCN1C(=O)CSC1=S,C=CCN1C(=O)CSC1=S,"InChI=1/C6H7NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2H,1,3-4H2",C6H7NOS2,,,,,,GYGUTBCTEJBRAN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.057,219-862-6,4/05/2554,Ammonium trihydrogen ethylenediaminetetraacetate,"ammonium trihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3/p-3",C10H16N2O8.H3N,,,,,,FVCHPLIQTBSXKX-UHFFFAOYSA-K,,,,,,,,,,,
100.018.058,219-863-1,5/06/2554,"2,4,6,8-tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane","2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C,C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C,"InChI=1/C12H24O4Si4/c1-9-17(5)13-18(6,10-2)15-20(8,12-4)16-19(7,11-3)14-17/h9-12H,1-4H2,5-8H3",C12H24O4Si4,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8179,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.058,VMAWODUEPLAHOE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.063,219-868-9,7/10/2556,[2-(1-ethoxyethoxy)ethyl]benzene,[2-(1-ethoxyethoxy)ethyl]benzene,CCOC(C)OCCc1ccccc1,CCOC(C)OCCc1ccccc1,"InChI=1/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3",C12H18O2,,,,,,QQDGMPOYFGNLMT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.074,219-880-4,2561-85-5,"3-dodecyldihydrofuran-2,5-dione","3-dodecyldihydrofuran-2,5-dione",CCCCCCCCCCCCC1CC(=O)OC1=O,CCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14H,2-13H2,1H3",C16H28O3,,,,,,YAXXOCZAXKLLCV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.075,219-882-5,2561-88-8,"Oxacycloundecane-2,11-dione","oxacycloundecane-2,11-dione",O=C1CCCCCCCCC(=O)O1,O=C1CCCCCCCCC(=O)O1,InChI=1/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13-9/h1-8H2,C10H16O3,,,,,,YOURXVGYNVXQKT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.078,219-885-1,2562-52-9,"2,6,8-trichloropurine","2,6,8-trichloro-9H-purine",Clc1nc(Cl)c2nc(Cl)[nH]c2n1,Clc1nc(Cl)c2nc(Cl)[nH]c2n1,"InChI=1/C5HCl3N4/c6-2-1-3(11-4(7)9-1)12-5(8)10-2/h(H,9,10,11,12)",C5HCl3N4,,,,,,XPTCECRKQRKFLH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.081,219-888-8,2564-83-2,"2,2,6,6-tetramethylpiperidinooxy","2,2,6,6-tetramethylpiperidine 1-oxide",CC1(C)CCCC(C)(C)N1=O,CC1(C)CCCC(C)(C)N1=O,"InChI=1/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h5-7H2,1-4H3",C9H18NO,,,,,,QYTDEUPAUMOIOP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.083,219-890-9,2565-21-1,"3,3',3''-[1,2,3-propanetriyltris(oxy)]trispropene","3,3',3''-[propane-1,2,3-triyltris(oxy)]tris(prop-1-ene)",C=CCOCC(COCC=C)OCC=C,C=CCOCC(COCC=C)OCC=C,"InChI=1/C12H20O3/c1-4-7-13-10-12(15-9-6-3)11-14-8-5-2/h4-6,12H,1-3,7-11H2",C12H20O3,,,,,,BXZCTALFGYLMTD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.084,219-891-4,2565-36-8,"2,2'-[methylenebis(oxy)]bisethanol","2,2'-[methylenebis(oxy)]diethanol",OCCOCOCCO,OCCOCOCCO,"InChI=1/C5H12O4/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2",C5H12O4,,,,,,YSPADHLUBJTJLN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.103,219-912-7,2570-26-5,Pentadecylamine,pentadecan-1-amine,CCCCCCCCCCCCCCCN,CCCCCCCCCCCCCCCN,"InChI=1/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3",C15H33N,,,,,,JPZYXGPCHFZBHO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.104,219-913-2,2570-63-0,Thallium (III) acetate sesquihydrate,acetic acid,CC(=O)O,CC(=O)O,"InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",C2H4O2.1/3Tl,,,,,,QTBSBXVTEAMEQO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.105,219-914-8,2570-96-9,2-methyloctanenitrile,2-methyloctanenitrile,CCCCCCC(C)C#N,CCCCCCC(C)C#N,"InChI=1/C9H17N/c1-3-4-5-6-7-9(2)8-10/h9H,3-7H2,1-2H3",C9H17N,,,,,,KOVZMYUXIJOHCD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.592,224-849-3,4521-28-2,4-(4-methoxyphenyl)butyric acid,4-(4-methoxyphenyl)butanoic acid,COc1ccc(CCCC(=O)O)cc1,COc1ccc(CCCC(=O)O)cc1,"InChI=1/C11H14O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)",C11H14O3,,,,,,LZHMNCJMXQKSBY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.594,224-851-4,4521-61-3,"3,4,5-trimethoxybenzoyl chloride","3,4,5-trimethoxybenzoyl chloride",COc1cc(cc(OC)c1OC)C(=O)Cl,COc1cc(cc(OC)c1OC)C(=O)Cl,"InChI=1/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3",C10H11ClO4,,,,,,BUHYMJLFRZAFBF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.596,224-854-0,4522-93-4,Ethyl perfluorobenzoate,ethyl pentafluorobenzoate,CCOC(=O)c1c(F)c(F)c(F)c(F)c1F,CCOC(=O)c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C9H5F5O2/c1-2-16-9(15)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3",C9H5F5O2,,,,,,DFUDMSIRGGTHGI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.599,224-857-7,4525-23-9,Methyl 3-(acetoxy)-3-butenoate,methyl 3-acetoxybut-3-enoate,COC(=O)CC(=C)OC(=O)C,COC(=O)CC(=C)OC(=O)C,"InChI=1/C7H10O4/c1-5(11-6(2)8)4-7(9)10-3/h1,4H2,2-3H3",C7H10O4,,,,,,RSUXDGSAMUJZNI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.604,224-862-4,8/04/4529,1-propynyllithium,prop-1-yn-1-yllithium,[Li]C#CC,[Li]C#CC,InChI=1/C3H3.Li/c1-3-2;/h1H3;/rC3H3Li/c1-2-3-4/h1H3,C3H3Li,,,,,,WRQSAQPASDQAJV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.605,224-864-5,4530-20-5,N-(tert-butoxycarbonyl)glycine,N-(tert-butoxycarbonyl)glycine,CC(C)(C)OC(=O)NCC(=O)O,CC(C)(C)OC(=O)NCC(=O)O,"InChI=1/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)",C7H13NO4,,,,,,VRPJIFMKZZEXLR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.746,228-320-8,6226-80-8,"Disodium 3-hydroxy-4-[[2-methyl-4-[(o-tolyl)azo]phenyl]azo]naphthalene-2,7-disulphonate","disodium 3-hydroxy-4-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Cc4ccccc4N=Nc3ccc(N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c3,[Na+].[Na+].Cc4ccccc4N=Nc3ccc(N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c3,"InChI=1/C24H20N4O7S2.2Na/c1-14-5-3-4-6-20(14)26-25-17-7-10-21(15(2)11-17)27-28-23-19-9-8-18(36(30,31)32)12-16(19)13-22(24(23)29)37(33,34)35;;/h3-13,29H,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C24H20N4O7S2.2Na,,,,,,DMYYMROEUDSFIN-UHFFFAOYSA-L,,,,,,,,,,,
100.027.379,230-116-9,6948-88-5,4-hydroxy-a-(4-hydroxynaphthyl)-a-phenylnaphthalene-1-methanol,"4,4'-[hydroxy(phenyl)methylene]di(1-naphthol)",Oc1ccc(c2ccccc12)C(O)(c3ccccc3)c4ccc(O)c5ccccc45,Oc1ccc(c2ccccc12)C(O)(c3ccccc3)c4ccc(O)c5ccccc45,"InChI=1/C27H20O3/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(30,18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28-30H",C27H20O3,,,,,,OUYLDJXFDLBCTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.380,230-117-4,6949-23-1,2-nitrotoluene-4-sulphonamide,4-methyl-3-nitrobenzenesulfonamide,Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N,Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N,"InChI=1/C7H8N2O4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3,(H2,8,12,13)",C7H8N2O4S,,,,,,HVCWTENLJRUJPU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.381,230-119-5,6949-73-1,2-hydroxyfluoren-9-one,2-hydroxy-9H-fluoren-9-one,Oc1ccc2c3ccccc3C(=O)c2c1,Oc1ccc2c3ccccc3C(=O)c2c1,"InChI=1/C13H8O2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,14H",C13H8O2,,,,,,GXUBPHMYNSICJC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.382,230-120-0,5/04/6950,"1,2-di(4-pyridyl)ethanediol","1,2-dipyridin-4-ylethane-1,2-diol",OC(C(O)c1ccncc1)c2ccncc2,OC(C(O)c1ccncc1)c2ccncc2,"InChI=1/C12H12N2O2/c15-11(9-1-5-13-6-2-9)12(16)10-3-7-14-8-4-10/h1-8,11-12,15-16H",C12H12N2O2,,,,,,DHKSJSQSVHHBPH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.384,230-122-1,6950-88-5,4-(3-methoxy-4-nitrophenyl)morpholine,4-(3-methoxy-4-nitrophenyl)morpholine,COc1cc(ccc1[N+](=O)[O-])N2CCOCC2,COc1cc(ccc1[N+](=O)[O-])N2CCOCC2,"InChI=1/C11H14N2O4/c1-16-11-8-9(2-3-10(11)13(14)15)12-4-6-17-7-5-12/h2-3,8H,4-7H2,1H3",C11H14N2O4,,,,,,YMXOMWAFFGHJFC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.388,230-126-3,6952-20-1,"1,1,4,4-tetramethylpiperazindiium diiodide","1,1,4,4-tetramethylpiperazinediium diiodide",[I-].[I-].C[N+]1(C)CC[N+](C)(C)CC1,[I-].[I-].C[N+]1(C)CC[N+](C)(C)CC1,"InChI=1/C8H20N2.2HI/c1-9(2)5-7-10(3,4)8-6-9;;/h5-8H2,1-4H3;2*1H/q+2;;/p-2",C8H20N2.2I,,,,,,ZVDZHHONICVJRM-UHFFFAOYSA-L,,,,,,,,,,,
100.027.389,230-127-9,6952-59-6,3-bromobenzonitrile,3-bromobenzonitrile,Brc1cccc(c1)C#N,Brc1cccc(c1)C#N,InChI=1/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,C7H4BrN,,,,,,STXAVEHFKAXGOX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.391,230-130-5,6952-89-2,4-bromophenyl cyclopropyl ketone,(4-bromophenyl)(cyclopropyl)methanone,Brc1ccc(cc1)C(=O)C2CC2,Brc1ccc(cc1)C(=O)C2CC2,"InChI=1/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2",C10H9BrO,,,,,,QTHHOINSCNBYQO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.395,230-134-7,6953-22-6,5-(phenylmethoxy)-1H-indole-3-carbaldehyde,5-(benzyloxy)-1H-indole-3-carbaldehyde,O=Cc1c[nH]c2ccc(OCc3ccccc3)cc12,O=Cc1c[nH]c2ccc(OCc3ccccc3)cc12,"InChI=1/C16H13NO2/c18-10-13-9-17-16-7-6-14(8-15(13)16)19-11-12-4-2-1-3-5-12/h1-10,17H,11H2",C16H13NO2,,,,,,DJGNUBADRQIDNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.396,230-135-2,6953-60-2,(acetylthio)succinic anhydride,"S-(2,5-dioxotetrahydrofuran-3-yl) ethanethioate",CC(=O)SC1CC(=O)OC1=O,CC(=O)SC1CC(=O)OC1=O,"InChI=1/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3",C6H6O4S,,,,,,AHTFMWCHTGEJHA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.137,226-550-3,5423-20-1,"1H-imidazole-4,5-di(carbohydrazide)","1H-imidazole-4,5-dicarbohydrazide",NNC(=O)c1nc[nH]c1C(=O)NN,NNC(=O)c1nc[nH]c1C(=O)NN,"InChI=1/C5H8N6O2/c6-10-4(12)2-3(5(13)11-7)9-1-8-2/h1H,6-7H2,(H,8,9)(H,10,12)(H,11,13)",C5H8N6O2,,,,,,MBKVDEBREBZMCM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.138,226-551-9,5423-22-3,Guanidinium phosphate (1:1),-,NC(=N)[NH3+].[O-]P(=O)([O-])[O-],NC(=N)[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/CH5N3.H3O4P/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)/p-2",CH5N3.H3O4P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13095,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.138,CEDDGDWODCGBFQ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.142,226-556-6,5423-67-6,"1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol","1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol",OC1CNc2c(C1)ccc3ccccc23,OC1CNc2c(C1)ccc3ccccc23,"InChI=1/C13H13NO/c15-11-7-10-6-5-9-3-1-2-4-12(9)13(10)14-8-11/h1-6,11,14-15H,7-8H2",C13H13NO,,,,,,WKJMQLMWPMZUQH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.146,226-560-8,3/11/5424,"<U+03B3>-methyl-a,a-diphenylpiperidine-1-butyronitrile","2,2-diphenyl-4-piperidin-1-ylpentanenitrile",CC(CC(C#N)(c1ccccc1)c2ccccc2)N3CCCCC3,CC(CC(C#N)(c1ccccc1)c2ccccc2)N3CCCCC3,"InChI=1/C22H26N2/c1-19(24-15-9-4-10-16-24)17-22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3",C22H26N2,,,,,,ILJNEWQDWFOAGR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.149,226-563-4,5424-21-5,"2,4-dichloro-6-methylpyrimidine","2,4-dichloro-6-methylpyrimidine",Cc1cc(Cl)nc(Cl)n1,Cc1cc(Cl)nc(Cl)n1,"InChI=1/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3",C5H4Cl2N2,,,,,,BTLKROSJMNFSQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.150,226-565-5,5424-29-3,2-methyl-DL-serine,2-methyl-L-serine,OC(=O)[C@@](C)(N)CO,OC(=O)[C@@](C)(N)CO,"InChI=1/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)",C4H9NO3,,,,,,CDUUKBXTEOFITR-BYPYZUCNSA-N,,,,,,,,,,,
100.014.498,215-947-7,1458-18-0,"Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate","methyl 3-amino-5,6-dichloropyrazine-2-carboxylate",COC(=O)c1nc(Cl)c(Cl)nc1N,COC(=O)c1nc(Cl)c(Cl)nc1N,"InChI=1/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)",C6H5Cl2N3O2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5979,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.498,USYMCUGEGUFUBI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.499,215-948-2,1459-00-3,ß-bromocumene,(2-bromo-1-methylethyl)benzene,CC(CBr)c1ccccc1,CC(CBr)c1ccccc1,"InChI=1/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3",C9H11Br,,,,,,XJWVCWQKZQENDS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.500,215-949-8,1459-09-2,Hexadecylbenzene,hexadecylbenzene,CCCCCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCCCCc1ccccc1,"InChI=1/C22H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",C22H38,,,,,,DEQLTFPCJRGSHW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.502,215-951-9,1459-93-4,Dimethyl isophthalate,dimethyl isophthalate,COC(=O)c1cccc(c1)C(=O)OC,COC(=O)c1cccc(c1)C(=O)OC,"InChI=1/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3",C10H10O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5958,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.502,VNGOYPQMJFJDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.516,215-967-6,1462-52-8,3-(dodecylthio)propionic acid,3-(dodecylsulfanyl)propanoic acid,CCCCCCCCCCCCSCCC(=O)O,CCCCCCCCCCCCSCCC(=O)O,"InChI=1/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H,16,17)",C15H30O2S,,,,,,VKLOPQHLJNFYKK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.518,215-969-7,1462-55-1,2-(dodecylthio)ethanol,2-(dodecylsulfanyl)ethanol,CCCCCCCCCCCCSCCO,CCCCCCCCCCCCSCCO,"InChI=1/C14H30OS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3",C14H30OS,,,,,,ZPIRWAHWDCHWLM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.528,215-980-7,1464-69-3,2-(vinyloxy)ethyl methacrylate,2-(vinyloxy)ethyl methacrylate,CC(=C)C(=O)OCCOC=C,CC(=C)C(=O)OCCOC=C,"InChI=1/C8H12O3/c1-4-10-5-6-11-8(9)7(2)3/h4H,1-2,5-6H2,3H3",C8H12O3,,,,,,BSNJMDOYCPYHST-UHFFFAOYSA-N,,,,,,,,,,,
100.014.530,215-982-8,1465-76-5,1-tert-butyl-4-piperidone,1-tert-butylpiperidin-4-one,CC(C)(C)N1CCC(=O)CC1,CC(C)(C)N1CCC(=O)CC1,"InChI=1/C9H17NO/c1-9(2,3)10-6-4-8(11)5-7-10/h4-7H2,1-3H3",C9H17NO,,,,,,NKPMJJGLSFUOPK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.534,215-987-5,1466-82-6,2-acetoxybenzoic anhydride,2-acetoxybenzoic anhydride,CC(=O)Oc1ccccc1C(=O)OC(=O)c2ccccc2OC(=O)C,CC(=O)Oc1ccccc1C(=O)OC(=O)c2ccccc2OC(=O)C,"InChI=1/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3",C18H14O7,,,,,,OAWXYINGQXLWOE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.539,215-992-2,1468-26-4,"1H-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione","3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione",O=C1NC(=O)c2nn[nH]c2N1,O=C1NC(=O)c2nn[nH]c2N1,"InChI=1/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)",C4H3N5O2,,,,,,KVGVQTOQSNJTJI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.540,215-993-8,1468-37-7,Dimexano,[disulfanediylbis(carbonothioyloxy)]dimethane,COC(=S)SSC(=S)OC,COC(=S)SSC(=S)OC,InChI=1/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3,C4H6O2S4,,,,,,FVCPXLWAKNJIKK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.277,215-705-0,1344-69-0,Copper hydroxide,copper(1+) hydroxide,[OH-].[Cu],[OH-].[Cu],InChI=1/Cu.H2O/h;1H2/q+1;/p-1,-,,,,,,PTVDYARBVCBHSL-UHFFFAOYSA-M,,,,,,,,,,,
100.014.280,215-708-7,1344-73-6,"Sulfuric acid, copper salt, basic",copper(1+) hydrogen sulfate,[Cu+].OS(=O)(=O)[O-],[Cu+].OS(=O)(=O)[O-],"InChI=1/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",-,,,,,,WGPGAHKREIDQEE-UHFFFAOYSA-M,,,,,,,,,,,
100.014.282,215-710-8,1344-95-2,"Silicic acid, calcium salt",calcium oxosilanediolate,[Ca+2].[O-][Si](=O)[O-],[Ca+2].[O-][Si](=O)[O-],InChI=1/Ca.O3Si/c;1-4(2)3/q+2;-2,-,Full,Individual,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8046,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.282,OYACROKNLOSFPA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.294,215-723-9,1365-19-1,Linalool oxide,2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol,CC(C)(O)[C@H]1CC[C@](C)(O1)C=C,CC(C)(O)[C@H]1CC[C@](C)(O1)C=C,"InChI=1/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3",C10H18O2,,,,,,BRHDDEIRQPDPMG-PSASIEDQSA-N,,,,,,,,,,,
100.014.312,215-743-8,1398-13-6,"15a-hydroxy-2ß-[[2-O-isovaleryl-3,4a-di-O-sulpho-ß-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid","7-hydroxy-11b-methyl-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy}-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid",CC(C)CC(=O)O[C@@H]5[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H](CO)O[C@H]5O[C@H]1C[C@]2(C)[C@H]4CC[C@H]3C[C@]4(CC[C@H]2[C@@H](C1)C(O)=O)[C@@H](O)C3=C,CC(C)CC(=O)O[C@@H]5[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H](CO)O[C@H]5O[C@H]1C[C@]2(C)[C@H]4CC[C@H]3C[C@]4(CC[C@H]2[C@@H](C1)C(O)=O)[C@@H](O)C3=C,"InChI=1/C30H46O16S2/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41)",C30H46O16S2,,,,,,FYQXODZRNSCOTR-ANFZLNLLSA-N,,,,,,,,,,,
100.014.318,215-750-6,1400-62-0,Orcein,"2,8-bis[(2,4-dihydroxy-6-methylphenyl)amino]-1,9-dimethyldibenzo[b,d]furan-3,7-dione",CC1=C(Nc2c(C)cc(O)cc2O)C(=O)C=C3OC4=CC(=O)C(=C(C)C4=C13)Nc5c(C)cc(O)cc5O,CC1=C(Nc2c(C)cc(O)cc2O)C(=O)C=C3OC4=CC(=O)C(=C(C)C4=C13)Nc5c(C)cc(O)cc5O,"InChI=1/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3",-,,,,,,VPEASJIRGSVXBF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.610,224-869-2,4532-21-2,Diammonium tetrahydrogen [nitrilotris(methylene)]trisphosphonate,diammonium tetrahydrogen [nitrilotris(methylene)]tris(phosphonate),[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.2H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);2*1H3/p-4",C3H12NO9P3.2H3N,,,,,,UJWIANNBICCRFG-UHFFFAOYSA-J,,,,,,,,,,,
100.022.611,224-870-8,4532-64-3,"Butane-2,3-dithiol","butane-2,3-dithiol",CC(S)C(C)S,CC(S)C(C)S,"InChI=1/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3",C4H10S2,,,,,,TWWSEEHCVDRRRI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.616,224-876-0,6/11/4534,4-isopropyl-m-toluidinium chloride,4-isopropyl-3-methylanilinium chloride,[Cl-].CC(C)c1ccc([NH3+])cc1C,[Cl-].CC(C)c1ccc([NH3+])cc1C,"InChI=1/C10H15N.ClH/c1-7(2)10-5-4-9(11)6-8(10)3;/h4-7H,11H2,1-3H3;1H",C10H15N.ClH,,,,,,VPOAQDSAPBSOLW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.617,224-877-6,4534-73-0,"Tetrahydro[3,3'-bifuran]-2,2',5,5'-tetraone","tetrahydro-3,3'-bifuran-2,2',5,5'-tetrone",O=C1CC(C2CC(=O)OC2=O)C(=O)O1,O=C1CC(C2CC(=O)OC2=O)C(=O)O1,"InChI=1/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2",C8H6O6,,,,,,OLQWMCSSZKNOLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.624,224-884-4,4536-26-9,Tetradecyl palmitate,tetradecyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/C30H60O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3",C30H60O2,,,,,,UULYVBBLIYLRCU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.627,218-289-9,2107-76-8,"5,7-dihydroxy-4-methyl-2-benzopyrone","5,7-dihydroxy-4-methyl-2H-chromen-2-one",CC1=CC(=O)Oc2cc(O)cc(O)c12,CC1=CC(=O)Oc2cc(O)cc(O)c12,"InChI=1/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3",C10H8O4,,,,,,QNVWGEJMXOQQPM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.630,218-293-0,2108-66-9,Cyclohexyl nitrate,cyclohexyl nitrate,[O-][N+](=O)OC1CCCCC1,[O-][N+](=O)OC1CCCCC1,"InChI=1/C6H11NO3/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2",C6H11NO3,,,,,,HLYOOCIMLHNMOG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.631,218-294-6,8/12/2109,"2,4,6-triiodo-m-cresol","2,4,6-triiodo-3-methylphenol",Cc1c(I)cc(I)c(O)c1I,Cc1c(I)cc(I)c(O)c1I,"InChI=1/C7H5I3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3",C7H5I3O,,,,,,IJHNNLYYEMRGLR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.634,218-297-2,2109-64-0,1-dibutylaminopropan-2-ol,1-(dibutylamino)propan-2-ol,CCCCN(CCCC)CC(C)O,CCCCN(CCCC)CC(C)O,"InChI=1/C11H25NO/c1-4-6-8-12(9-7-5-2)10-11(3)13/h11,13H,4-10H2,1-3H3",C11H25NO,,,,,,ICMJHPBQTVWCNT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.637,218-300-7,2110-18-1,2-(3-phenylpropyl)pyridine,2-(3-phenylpropyl)pyridine,C(Cc1ccccc1)Cc2ccccn2,C(Cc1ccccc1)Cc2ccccn2,"InChI=1/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2",C14H15N,,,,,,JJJPNTQYUJPWGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.639,218-302-8,2111-75-3,4-isopropenylcyclohex-1-enecarbaldehyde,4-isopropenylcyclohex-1-ene-1-carbaldehyde,CC(=C)C1CCC(=CC1)C=O,CC(=C)C1CCC(=CC1)C=O,"InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3",C10H14O,,,,,,RUMOYJJNUMEFDD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.947,217-541-5,1882-82-2,"17-a-hydroxypregn-4-ene-3,11,20-trione","17-hydroxypregn-4-ene-3,11,20-trione",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3",C21H28O4,,,,,,PUKLDDOGISCFCP-JSQCKWNTSA-N,,,,,,,,,,,
100.015.955,217-549-9,1885-29-6,Anthranilonitrile,2-aminobenzonitrile,Nc1ccccc1C#N,Nc1ccccc1C#N,"InChI=1/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2",C7H6N2,,,,,,HLCPWBZNUKCSBN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.959,217-554-6,1886-57-3,1-tert-butyl-2-nitrobenzene,1-tert-butyl-2-nitrobenzene,CC(C)(C)c1ccccc1[N+](=O)[O-],CC(C)(C)c1ccccc1[N+](=O)[O-],"InChI=1/C10H13NO2/c1-10(2,3)8-6-4-5-7-9(8)11(12)13/h4-7H,1-3H3",C10H13NO2,,,,,,IWTHGPTVKBEURV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.960,217-555-1,1886-81-3,Dodecyl benzenesulphonate,dodecyl benzenesulfonate,CCCCCCCCCCCCOS(=O)(=O)c1ccccc1,CCCCCCCCCCCCOS(=O)(=O)c1ccccc1,"InChI=1/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3",C18H30O3S,,,,,,YRIUSKIDOIARQF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.963,217-558-8,1887-29-2,Sodium benzenethiosulphonate,sodium benzenesulfonothioate,[Na+].[S-]S(=O)(=O)c1ccccc1,[Na+].[S-]S(=O)(=O)c1ccccc1,"InChI=1/C6H6O2S2.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1",C6H6O2S2.Na,,,,,,BZHOWMPPNDKQSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.015.966,217-561-4,1888-75-1,Isopropyllithium,isopropyllithium,[Li]C(C)C,[Li]C(C)C,"InChI=1/C3H7.Li/c1-3-2;/h3H,1-2H3;/rC3H7Li/c1-3(2)4/h3H,1-2H3",C3H7Li,,,,,,HDSLTIHESBGENB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.968,217-564-0,1888-89-7,"1,2:5,6-diepoxyhexane","1,2:5,6-dianhydro-3,4-dideoxyhexitol",C(CC1CO1)C2CO2,C(CC1CO1)C2CO2,"InChI=1/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2",C6H10O2,,,,,,HTJFSXYVAKSPNF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.688,226-056-8,5255-33-4,4-methylthiazol-5-acetic acid,"(4-methyl-1,3-thiazol-5-yl)acetic acid",Cc1ncsc1CC(=O)O,Cc1ncsc1CC(=O)O,"InChI=1/C6H7NO2S/c1-4-5(2-6(8)9)10-3-7-4/h3H,2H2,1H3,(H,8,9)",C6H7NO2S,,,,,,BHYWREOEQYCKSC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.690,226-058-9,5256-66-6,"(1a,2ß,5a)-5-(isopropyl)-2-methylcyclohexyl acetate",5-isopropyl-2-methylcyclohexyl acetate,CC(C)[C@H]1CC[C@H](C)[C@H](C1)OC(=O)C,CC(C)[C@H]1CC[C@H](C)[C@H](C1)OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,JAKFDYGDDRCJLY-DLOVCJGASA-N,,,,,,,,,,,
100.023.693,226-062-0,5258-64-0,Sodium 4-nitrotoluene-2-sulphonate,sodium 2-methyl-5-nitrobenzenesulfonate,[Na+].Cc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-],[Na+].Cc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C7H7NO5S.Na/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13;/h2-4H,1H3,(H,11,12,13);/q;+1/p-1",C7H7NO5S.Na,,,,,,DAKNGKGXAIKYKW-UHFFFAOYSA-M,,,,,,,,,,,
100.023.694,226-063-6,5259-31-4,6-methylcyclohex-3-ene-1-methanol,(6-methylcyclohex-3-en-1-yl)methanol,CC1CC=CCC1CO,CC1CC=CCC1CO,"InChI=1/C8H14O/c1-7-4-2-3-5-8(7)6-9/h2-3,7-9H,4-6H2,1H3",C8H14O,,,,,,FNCRYRFSEYFWQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.697,226-066-2,5259-88-1,Oxycarboxin,"2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4,4-dioxide",CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1,CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1,"InChI=1/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",C12H13NO4S,,,,,,AMEKQAFGQBKLKX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.443,215-887-1,1444-64-0,2-phenylcyclohexanol,2-phenylcyclohexanol,OC1CCCCC1c2ccccc2,OC1CCCCC1c2ccccc2,"InChI=1/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2",C12H16O,,,,,,AAIBYZBZXNWTPP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.449,215-893-4,1445-69-8,"2,3-dihydrophthalazine-1,4-dione","2,3-dihydrophthalazine-1,4-dione",O=C1NNC(=O)c2ccccc12,O=C1NNC(=O)c2ccccc12,"InChI=1/C8H6N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H,(H,9,11)(H,10,12)",C8H6N2O2,,,,,,KGLPWQKSKUVKMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.451,215-896-0,1445-75-6,Bis(1-methylethyl) methylphosphonate,diisopropyl methylphosphonate,CC(C)OP(=O)(C)OC(C)C,CC(C)OP(=O)(C)OC(C)C,"InChI=1/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3",C7H17O3P,,,,,,WOAFDHWYKSOANX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.457,215-902-1,1447-71-8,"3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropylamine S-oxide","N,N-dimethyl-3-(5-oxidodibenzo[b,e]thiepin-11(6H)-ylidene)propan-1-amine",CN(C)CCC=C1c2ccccc2CS(=O)c3ccccc13,CN(C)CCC=C1c2ccccc2CS(=O)c3ccccc13,"InChI=1/C19H21NOS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-22(21)19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3",C19H21NOS,,,,,,NBNPVRZHUPMVQS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.459,215-904-2,1448-62-0,"Diethyl 4,4'-[hexamethylenebis(oxy)]dibenzimidate","diethyl 4,4'-[hexane-1,6-diylbis(oxy)]dibenzenecarboximidoate",CCOC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(=N)OCC)cc1,CCOC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(=N)OCC)cc1,"InChI=1/C24H32N2O4/c1-3-27-23(25)19-9-13-21(14-10-19)29-17-7-5-6-8-18-30-22-15-11-20(12-16-22)24(26)28-4-2/h9-16,25-26H,3-8,17-18H2,1-2H3",C24H32N2O4,,,,,,MWWKZZZOWHMXBG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.462,215-907-9,1449-05-4,"(3ß,18a,20ß)-3-hydroxy-11-oxoolean-12-en-29-oic acid",3-hydroxy-11-oxoolean-12-en-29-oic acid,CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O,CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O,"InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)",C30H46O4,,,,,,MPDGHEJMBKOTSU-UPUJGSTDSA-N,,,,,,,,,,,
100.014.468,215-914-7,1450-63-1,"1,1,4,4-tetraphenylbuta-1,3-diene","1,1',1'',1'''-buta-1,3-diene-1,1,4,4-tetrayltetrabenzene",C(=C(c1ccccc1)c2ccccc2)C=C(c3ccccc3)c4ccccc4,C(=C(c1ccccc1)c2ccccc2)C=C(c3ccccc3)c4ccccc4,InChI=1/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,C28H22,,,,,,KLCLIOISYBHYDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.471,215-917-3,1450-85-7,Pyrimidine-2-thiol,pyrimidine-2-thiol,Sc1ncccn1,Sc1ncccn1,"InChI=1/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)",C4H4N2S,,,,,,HBCQSNAFLVXVAY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.472,215-918-9,1450-93-7,Bis(2-amino-1H-imidazole) sulphate,"1,3-dihydro-2H-imidazol-2-imine sulfate",OS(=O)(=O)O.N=C1NC=CN1,OS(=O)(=O)O.N=C1NC=CN1,"InChI=1/C3H5N3.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h1-2H,(H3,4,5,6);(H2,1,2,3,4)",C3H5N3.1/2H2O4S,,,,,,LEUJVEZIEALICS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.476,215-923-6,1453-25-4,1-methylcycloheptene,1-methylcycloheptene,CC1=CCCCCC1,CC1=CCCCCC1,"InChI=1/C8H14/c1-8-6-4-2-3-5-7-8/h6H,2-5,7H2,1H3",C8H14,,,,,,MREBNFRVGNTYOV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.478,215-925-7,1453-58-3,3-methylpyrazole,3-methyl-1H-pyrazole,Cc1cc[nH]n1,Cc1cc[nH]n1,"InChI=1/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)",C4H6N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17474,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.478,XKVUYEYANWFIJX-UHFFFAOYSA-N,Positive,SM804101,[M+H]+,HCD35,83.0603:56.0496:66.0339,CASMI_2016,,,,,
100.014.487,215-935-1,1455-20-5,2-butylthiophene,2-butylthiophene,CCCCc1cccs1,CCCCc1cccs1,"InChI=1/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3",C8H12S,,,,,,MNDZHERKKXUTOE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.222,215-643-4,1336-00-1,Calcium glycerol phosphate,calcium 2-hydroxy-1-(hydroxymethyl)ethyl phosphate,[Ca+2].OCC(CO)OP(=O)([O-])[O-],[Ca+2].OCC(CO)OP(=O)([O-])[O-],"InChI=1/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.xCa,,,,,,UHHRFSOMMCWGSO-UHFFFAOYSA-L,,,,,,,,,,,
100.014.232,215-654-4,1337-33-3,"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, octadecyl ester",2-hydroxy-2-[2-(octadecyloxy)-2-oxoethyl]succinic acid,CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h30H,2-20H2,1H3,(H,25,26)(H,28,29)",-,,,,,,REVZBRXEBPWDRA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.238,215-661-2,1338-23-4,"2-Butanone, peroxide","dioxydibutane-2,2-diyl dihydroperoxide",CCC(C)(OO)OOC(C)(CC)OO,CCC(C)(OO)OOC(C)(CC)OO,"InChI=1/C8H18O6/c1-5-7(3,11-9)13-14-8(4,6-2)12-10/h9-10H,5-6H2,1-4H3",-,,,,,,WFUGQJXVXHBTEM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.240,215-663-3,1338-39-2,Sorbitan laurate,"1,4-anhydro-6-O-dodecanoyl-D-glucitol",O[C@H](COC(=O)CCCCCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O,O[C@H](COC(=O)CCCCCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O,"InChI=1/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3",C18H34O6,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14850,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.240,LWZFANDGMFTDAV-BURFUSLBSA-N,,,,,,,,,,,
100.014.241,215-664-9,1338-41-6,Sorbitan stearate,"1,4-anhydro-6-O-stearoyl-D-glucitol",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,"InChI=1/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3",C24H46O6,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15165,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.241,HVUMOYIDDBPOLL-XWVZOOPGSA-N,,,,,,,,,,,
100.014.251,215-675-9,1341-38-4,Isooctyl palmitate,6-methylheptyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C,CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C,"InChI=1/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3",C24H48O2,,,,,,CJSPFDQEYQBDNN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.252,215-676-4,1341-49-7,Ammonium hydrogendifluoride,ammonium fluoride hydrofluoride,[NH4+].F.[F-],[NH4+].F.[F-],InChI=1/2FH.H3N/h2*1H;1H3,F2H5N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14195,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.252,KVBCYCWRDBDGBG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.259,215-684-8,1344-00-9,"Silicic acid, aluminum sodium salt",-,[Na+].[Al+3].[O-][Si](=O)[O-],[Na+].[Al+3].[O-][Si](=O)[O-],InChI=1/Al.Na.O3Si/c;;1-4(2)3/q+3;+1;-2,-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15116,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.259,NGXPNNPCZMXOCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.260,215-685-3,1344-01-0,"Silicic acid, aluminum calcium sodium salt",-,[Na+].[Al+3].[Ca+2].[O-][Si](=O)[O-],[Na+].[Al+3].[Ca+2].[O-][Si](=O)[O-],InChI=1/Al.Ca.Na.O3Si/c;;;1-4(2)3/q+3;+2;+1;-2,-,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10229,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.260,OIPCKJDQCBSIIP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.264,215-690-0,1344-21-4,"Silicic acid, zirconium(4+) salt",-,[Zr+4].[O-][Si](=O)[O-],[Zr+4].[O-][Si](=O)[O-],InChI=1/O3Si.Zr/c1-4(2)3;/q-2;+4,-,,,,,,RKUBCMCVXCRVIH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.551,214-906-0,1209-61-6,"4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane","4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.0~4,6~]dodecane",CC1CCC2OC2(C)CCC3C1CC3(C)C,CC1CCC2OC2(C)CCC3C1CC3(C)C,"InChI=1/C15H26O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h10-13H,5-9H2,1-4H3",C15H26O,,,,,,RBQQAPZKUGJMCR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.554,214-909-7,1210-12-4,Anthracene-9-carbonitrile,anthracene-9-carbonitrile,N#Cc1c2ccccc2cc3ccccc13,N#Cc1c2ccccc2cc3ccccc13,InChI=1/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,C15H9N,,,,,,KEQZHLAEKAVZLY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.556,214-911-8,1210-34-0,"Dibenzo(b,f)cycloheptan-1-ol","10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol",OC1c2ccccc2CCc3ccccc13,OC1c2ccccc2CCc3ccccc13,"InChI=1/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2",C15H14O,,,,,,POAVRNPUPPJLKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.569,214-925-4,1213-06-5,Etebenecid,4-(diethylsulfamoyl)benzoic acid,CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)O,CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)O,"InChI=1/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)",C11H15NO4S,,,,,,UACOQEQOBAQRDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.574,214-931-7,1215-83-4,p-chloro-a-[2-(dimethylamino)-1-methylethyl]-a-methylphenethyl alcohol hydrochloride,"1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol hydrochloride",Cl.CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,Cl.CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,"InChI=1/C14H22ClNO.ClH/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12;/h5-8,11,17H,9-10H2,1-4H3;1H",C14H22ClNO.ClH,,,,,,ZMROYCGIWPNZNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.576,214-933-8,1216-84-8,"Decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one","3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one",CC1(C)CCCC2(C)C1CCC3(C)OC(=O)CC23,CC1(C)CCCC2(C)C1CCC3(C)OC(=O)CC23,"InChI=1/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3",C16H26O2,,,,,,IMKJGXCIJJXALX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.579,214-936-4,1218-35-5,Xylometazoline hydrochloride,"2-(4-tert-butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole hydrochloride",Cl.Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C,Cl.Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C,"InChI=1/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H",C16H24N2.ClH,,,,,,YGWFCQYETHJKNX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.583,214-941-1,1219-35-8,Primaperone,1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one,Fc1ccc(cc1)C(=O)CCCN2CCCCC2,Fc1ccc(cc1)C(=O)CCCN2CCCCC2,"InChI=1/C15H20FNO/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-12H2",C15H20FNO,,,,,,LUKOGYUKYPZBFP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.587,214-945-3,1221-56-3,Sodium iopodate,"sodium 3-(3-{[(dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoate",CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O[Na])c1I,CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O[Na])c1I,"InChI=1/C12H13I3N2O2.Na/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h5-6H,3-4H2,1-2H3,(H,18,19);/q;+1/p-1",C12H13I3N2O2.Na,,,,,,ZFHZUGUCWJVEQC-UHFFFAOYSA-M,,,,,,,,,,,
100.013.589,214-947-4,1222-57-7,Zolimidine,"2-[4-(methylsulfonyl)phenyl]imidazo[1,2-a]pyridine",CS(=O)(=O)c1ccc(cc1)c2cn3ccccc3n2,CS(=O)(=O)c1ccc(cc1)c2cn3ccccc3n2,"InChI=1/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3",C14H12N2O2S,,,,,,VSLIUWLPFRVCDL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.712,226-083-5,5266-85-3,6-isopropyl-o-toluidine,2-isopropyl-6-methylaniline,CC(C)c1cccc(C)c1N,CC(C)c1cccc(C)c1N,"InChI=1/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3",C10H15N,,,,,,DDTKYVBFPULMGN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.716,226-087-7,5268-51-9,1-amino-4-[(4-methylphenyl)amino]-2-(phenylsulphonyl)anthraquinone,"1-amino-4-[(4-methylphenyl)amino]-2-(phenylsulfonyl)-9,10-anthraquinone",Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)c5ccccc5)cc1,Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)c5ccccc5)cc1,"InChI=1/C27H20N2O4S/c1-16-11-13-17(14-12-16)29-21-15-22(34(32,33)18-7-3-2-4-8-18)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3",C27H20N2O4S,,,,,,HGEORFVMRAZOSF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.719,226-090-3,5271-38-5,2-(methylthio)ethanol,2-(methylsulfanyl)ethanol,CSCCO,CSCCO,"InChI=1/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3",C3H8OS,,,,,,WBBPRCNXBQTYLF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.720,226-091-9,5271-60-3,"2,2,7,7-tetrabutyl-1,3,6,8,2,7-tetroxadistannecane","2,2,7,7-tetrabutyl-1,3,6,8,2,7-tetroxadistannecane",CCCC[Sn]1(CCCC)OCCO[Sn](CCCC)(CCCC)OCCO1,CCCC[Sn]1(CCCC)OCCO[Sn](CCCC)(CCCC)OCCO1,"InChI=1/4C4H9.2C2H4O2.2Sn/c4*1-3-4-2;2*3-1-2-4;;/h4*1,3-4H2,2H3;2*1-2H2;;/q;;;;2*-2;2*+2/rC20H44O4Sn2/c1-5-9-17-25(18-10-6-2)21-13-15-23-26(19-11-7-3,20-12-8-4)24-16-14-22-25/h5-20H2,1-4H3",C20H44O4Sn2,,,,,,BAFNLNDNPBJCKT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.721,226-092-4,5271-67-0,2-thienylcarbonyl chloride,thiophene-2-carbonyl chloride,ClC(=O)c1cccs1,ClC(=O)c1cccs1,InChI=1/C5H3ClOS/c6-5(7)4-2-1-3-8-4/h1-3H,C5H3ClOS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15847,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.721,QIQITDHWZYEEPA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.729,226-101-1,5278-38-6,"6,7-dimethoxy-2-quinolone","6,7-dimethoxyquinolin-2(1H)-one",COc1cc2NC(=O)C=Cc2cc1OC,COc1cc2NC(=O)C=Cc2cc1OC,"InChI=1/C11H11NO3/c1-14-9-5-7-3-4-11(13)12-8(7)6-10(9)15-2/h3-6H,1-2H3,(H,12,13)",C11H11NO3,,,,,,YCIOUNSWHDKEBM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.732,226-104-8,5280-69-3,Barium bis[3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]benzenesulphonate],barium bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate),[Ba+2].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2.CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2,[Ba+2].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2.CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2,"InChI=1/2C16H14N4O7S.Ba/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2",C16H14N4O7S.1/2Ba,,,,,,HRCWDEIZUGFKOT-UHFFFAOYSA-L,,,,,,,,,,,
100.023.735,226-107-4,5280-80-8,"3,3'-[(2,5-dimethyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(5-chloro-o-tolyl)benzamide]","3,3'-{(2,5-dimethyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-N-(5-chloro-2-methylphenyl)benzamide]",Clc4ccc(cc4N=NC(=O)C(Nc3cc(C)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cc(Cl)ccc2C)cc3C)C(C)=O)C(=O)Nc5cc(Cl)ccc5C,Clc4ccc(cc4N=NC(=O)C(Nc3cc(C)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cc(Cl)ccc2C)cc3C)C(C)=O)C(=O)Nc5cc(Cl)ccc5C,"InChI=1/C44H38Cl4N8O6/c1-21-7-11-29(45)19-35(21)51-41(59)27-9-13-31(47)37(17-27)53-55-43(61)39(25(5)57)49-33-15-24(4)34(16-23(33)3)50-40(26(6)58)44(62)56-54-38-18-28(10-14-32(38)48)42(60)52-36-20-30(46)12-8-22(36)2/h7-20,39-40,49-50H,1-6H3,(H,51,59)(H,52,60)",C44H38Cl4N8O6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5928,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.735,UJXKQFFXGIQDMM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.740,226-113-7,5283-67-0,Trichlorononylsilane,trichloro(nonyl)silane,CCCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C9H19Cl3Si/c1-2-3-4-5-6-7-8-9-13(10,11)12/h2-9H2,1H3",C9H19Cl3Si,,,,,,SSBOTKQTCWQWMG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.742,226-115-8,5284-73-1,Methyl 3-methylbenzothiazolium sulphate,"3-methyl-1,3-benzothiazol-3-ium methyl sulfate",COS(=O)(=O)[O-].C[n+]1csc2ccccc12,COS(=O)(=O)[O-].C[n+]1csc2ccccc12,"InChI=1/C8H8NS.CH4O4S/c1-9-6-10-8-5-3-2-4-7(8)9;1-5-6(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)/q+1;/p-1",C8H8NS.CH3O4S,,,,,,QPTHLIIYYVUGSV-UHFFFAOYSA-M,,,,,,,,,,,
100.024.158,226-573-9,2/03/5427,"2,6-di-tert-butyl-4-isopropylphenol","2,6-di-tert-butyl-4-isopropylphenol",CC(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CC(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C17H28O/c1-11(2)12-9-13(16(3,4)5)15(18)14(10-12)17(6,7)8/h9-11,18H,1-8H3",C17H28O,,,,,,KSPSGLZRAWUOKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.165,226-581-2,5428-89-7,5-chloropyrimidin-2-amine,5-chloropyrimidin-2-amine,Nc1ncc(Cl)cn1,Nc1ncc(Cl)cn1,"InChI=1/C4H4ClN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)",C4H4ClN3,,,,,,OQZMDDKDHRIGDY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.166,226-582-8,5429-28-7,4-(diethylamino)benzoic acid,4-(diethylamino)benzoic acid,CCN(CC)c1ccc(cc1)C(=O)O,CCN(CC)c1ccc(cc1)C(=O)O,"InChI=1/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)",C11H15NO2,,,,,,LNYTUARMNSFFBE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.170,226-587-5,5430-78-4,"Piperazine-1,4-diacetic acid","2,2'-piperazine-1,4-diyldiacetic acid",OC(=O)CN1CCN(CC(=O)O)CC1,OC(=O)CN1CCN(CC(=O)O)CC1,"InChI=1/C8H14N2O4/c11-7(12)5-9-1-2-10(4-3-9)6-8(13)14/h1-6H2,(H,11,12)(H,13,14)",C8H14N2O4,,,,,,JERMFLFKXHHROS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.171,226-588-0,5431-33-4,"2,3-epoxypropyl oleate",oxiran-2-ylmethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC1CO1,CCCCCCCC\C=C/CCCCCCCC(=O)OCC1CO1,"InChI=1/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3",C21H38O3,,,,,,VWYIWOYBERNXLX-KTKRTIGZSA-N,,,,,,,,,,,
100.024.185,226-604-6,5436-15-7,"3,3-dimethylfuran-2,4(3H,5H)-dione","3,3-dimethylfuran-2,4(3H,5H)-dione",CC1(C)C(=O)COC1=O,CC1(C)C(=O)COC1=O,"InChI=1/C6H8O3/c1-6(2)4(7)3-9-5(6)8/h3H2,1-2H3",C6H8O3,,,,,,IIGNDGQXVATIQU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.780,230-557-7,7191-46-0,"1-(2-hydroxy-3,5-diiodophenyl)ethan-1-one","1-(2-hydroxy-3,5-diiodophenyl)ethanone",CC(=O)c1cc(I)cc(I)c1O,CC(=O)c1cc(I)cc(I)c1O,"InChI=1/C8H6I2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3",C8H6I2O2,,,,,,WFFXKQMPZIZNOI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.781,230-558-2,7193-87-5,"2,4-diethoxy-5-methylpyrimidine","2,4-diethoxy-5-methylpyrimidine",CCOc1ncc(C)c(OCC)n1,CCOc1ncc(C)c(OCC)n1,"InChI=1/C9H14N2O2/c1-4-12-8-7(3)6-10-9(11-8)13-5-2/h6H,4-5H2,1-3H3",C9H14N2O2,,,,,,WXALIABDZXPJLE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.785,230-562-4,7195-27-9,Mefruside,"4-chloro-N~1~-methyl-N~1~-[(2-methyltetrahydrofuran-2-yl)methyl]benzene-1,3-disulfonamide",CN(CC1(C)CCCO1)S(=O)(=O)c2ccc(Cl)c(c2)S(=O)(=O)N,CN(CC1(C)CCCO1)S(=O)(=O)c2ccc(Cl)c(c2)S(=O)(=O)N,"InChI=1/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)",C13H19ClN2O5S2,,,,,,SMNOERSLNYGGOU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.794,230-572-9,7203-96-5,Hexahydro-2H-azepine-2-thione,azepane-2-thione,S=C1CCCCCN1,S=C1CCCCCN1,"InChI=1/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",C6H11NS,,,,,,APLHDUWNMGJBFD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.797,230-576-0,7205-63-2,1-(isopropylthio)-4-nitrobenzene,1-(isopropylsulfanyl)-4-nitrobenzene,CC(C)Sc1ccc(cc1)[N+](=O)[O-],CC(C)Sc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H11NO2S/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3",C9H11NO2S,,,,,,AZXGKMBWQRKTQP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.798,230-577-6,7205-80-3,1-chloro-4-(ethylsulphonyl)benzene,1-chloro-4-(ethylsulfonyl)benzene,CCS(=O)(=O)c1ccc(Cl)cc1,CCS(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C8H9ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",C8H9ClO2S,,,,,,FVSFDDWOQCUYKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.799,230-578-1,7205-90-5,Chloromethyl 4-chlorophenyl sulphide,1-chloro-4-[(chloromethyl)sulfanyl]benzene,ClCSc1ccc(Cl)cc1,ClCSc1ccc(Cl)cc1,"InChI=1/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2",C7H6Cl2S,,,,,,XPJUCMIJGVAEGF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.801,230-580-2,7205-94-9,[(chloromethyl)sulphinyl]benzene,[(chloromethyl)sulfinyl]benzene,ClCS(=O)c1ccccc1,ClCS(=O)c1ccccc1,"InChI=1/C7H7ClOS/c8-6-10(9)7-4-2-1-3-5-7/h1-5H,6H2",C7H7ClOS,,,,,,WCUSVVDFUIMPKY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.803,230-582-3,7206-70-4,4-amino-5-chloro-2-methoxybenzoic acid,4-amino-5-chloro-2-methoxybenzoic acid,COc1cc(N)c(Cl)cc1C(=O)O,COc1cc(N)c(Cl)cc1C(=O)O,"InChI=1/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)",C8H8ClNO3,,,,,,RVEATKYEARPWRE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.809,230-589-1,7209-38-3,"N,N'-bis(3-aminopropyl)piperazine","3,3'-piperazine-1,4-diyldipropan-1-amine",NCCCN1CCN(CCCN)CC1,NCCCN1CCN(CCCN)CC1,InChI=1/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2,C10H24N4,,,,,,XUSNPFGLKGCWGN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.814,230-594-9,7211-58-7,"5-oxo-L-proline, compound with 2,2',2''-nitrilotriethanol (1:1)","5-oxo-L-proline - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)[C@@H]1CCC(=O)N1,OCCN(CCO)CCO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H15NO3.C5H7NO3/c8-4-1-7(2-5-9)3-6-10;7-4-2-1-3(6-4)5(8)9/h8-10H,1-6H2;3H,1-2H2,(H,6,7)(H,8,9)",C6H15NO3.C5H7NO3,,,,,,WHDZFABLYCTYDP-HVDRVSQOSA-N,,,,,,,,,,,
100.027.815,230-595-4,7212-40-0,trans-1-methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol,4-isopropenyl-1-methylcyclohex-2-en-1-ol,CC(=C)[C@H]1CC[C@](C)(O)C=C1,CC(=C)[C@H]1CC[C@](C)(O)C=C1,"InChI=1/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3",C10H16O,,,,,,MKPMHJQMNACGDI-NXEZZACHSA-N,,,,,,,,,,,
100.013.608,214-968-9,1229-55-6,1-[(2-methoxyphenyl)azo]-2-naphthol,1-[(2-methoxyphenyl)diazenyl]-2-naphthol,COc3ccccc3N=Nc1c2ccccc2ccc1O,COc3ccccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C17H14N2O2/c1-21-16-9-5-4-8-14(16)18-19-17-13-7-3-2-6-12(13)10-11-15(17)20/h2-11,20H,1H3",C17H14N2O2,,,,,,ALLOLPOYFRLCCX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.609,214-969-4,1231-74-9,"Methyl [1S-(1a,4aa,10aß)]-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethylphenanthren-1-carboxylate","methyl 12-methoxypodocarpa-8,11,13-trien-15-oate",COC(=O)C1(C)CCCC2(C)C1CCc3ccc(OC)cc23,COC(=O)C1(C)CCCC2(C)C1CCc3ccc(OC)cc23,"InChI=1/C19H26O3/c1-18-10-5-11-19(2,17(20)22-4)16(18)9-7-13-6-8-14(21-3)12-15(13)18/h6,8,12,16H,5,7,9-11H2,1-4H3",C19H26O3,,,,,,BSKWXDWRTACMCC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.610,214-971-5,1231-93-2,Etynodiol,"17-ethynylestr-4-ene-3,17-diol",C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3",C20H28O2,,,,,,JYILPERKVHXLNF-QMNUTNMBSA-N,,,,,,,,,,,
100.013.621,214-983-0,1239-29-8,Furazabol,"1,10a,12a-trimethyl-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-c][1,2,5]oxadiazol-1-ol",C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nonc5C[C@]4(C)[C@H]3CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nonc5C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3",C20H30N2O2,,,,,,RGLLOUBXMOGLDQ-IVEVATEUSA-N,,,,,,,,,,,
100.013.625,214-987-2,1241-94-7,2-ethylhexyl diphenyl phosphate,2-ethylhexyl diphenyl phosphate,CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2,CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3",C20H27O4P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2152,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.625,CGSLYBDCEGBZCG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.629,214-991-4,1245-15-4,"2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4-benzopyrone","2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one",COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3,COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3,"InChI=1/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3",C19H18O7,,,,,,HHGPYJLEJGNWJA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.631,214-994-0,1247-04-7,"17-hydroxy-3-oxocarda-4,20(22)-dienolide","17-hydroxy-3-oxocarda-4,20(22)-dienolide",C[C@]12CCC(=O)C=C1CC[C@H]3[C@H]4CC[C@](O)(C5=CC(=O)OC5)[C@@]4(C)CC[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@H]4CC[C@](O)(C5=CC(=O)OC5)[C@@]4(C)CC[C@H]23,"InChI=1/C23H30O4/c1-21-8-5-16(24)11-14(21)3-4-17-18(21)6-9-22(2)19(17)7-10-23(22,26)15-12-20(25)27-13-15/h11-12,17-19,26H,3-10,13H2,1-2H3",C23H30O4,,,,,,MATMECYAPCZDQE-AMHUQJERSA-N,,,,,,,,,,,
100.013.638,215-001-3,1248-45-9,"2-[1,1'-biphenyl]-4-yl-5-(1-naphthyl)-1,3,4-oxadiazole","2-biphenyl-4-yl-5-(1-naphthyl)-1,3,4-oxadiazole",o1c(nnc1c2cccc3ccccc23)c4ccc(cc4)c5ccccc5,o1c(nnc1c2cccc3ccccc23)c4ccc(cc4)c5ccccc5,InChI=1/C24H16N2O/c1-2-7-17(8-3-1)18-13-15-20(16-14-18)23-25-26-24(27-23)22-12-6-10-19-9-4-5-11-21(19)22/h1-16H,C24H16N2O,,,,,,OOGWPGBDXYDANB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.639,215-002-9,1249-75-8,Methyl lithocholate,methyl 3-hydroxycholan-24-oate,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C25H42O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3",C25H42O3,,,,,,YXZVCZUDUJEPPK-ULCLHEGSSA-N,,,,,,,,,,,
100.013.640,215-003-4,1249-81-6,Cholest-5-ene-3ß-thiol,cholest-5-ene-3-thiol,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3",C27H46S,,,,,,QGVQZRDQPDLHHV-DPAQBDIFSA-N,,,,,,,,,,,
100.013.641,215-005-5,1249-97-4,"10-benzoyl-3,7-bis(dimethylamino)phenothiazine","10-benzoyl-N,N,N',N'-tetramethyl-10H-phenothiazine-3,7-diamine",CN(C)c1ccc2N(C(=O)c3ccccc3)c4ccc(cc4Sc2c1)N(C)C,CN(C)c1ccc2N(C(=O)c3ccccc3)c4ccc(cc4Sc2c1)N(C)C,"InChI=1/C23H23N3OS/c1-24(2)17-10-12-19-21(14-17)28-22-15-18(25(3)4)11-13-20(22)26(19)23(27)16-8-6-5-7-9-16/h5-15H,1-4H3",C23H23N3OS,,,,,,ZKURGBYDCVNWKH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.644,215-008-1,1250-97-1,"11a,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,"InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3",C23H32O6,,,,,,ALEXXDVDDISNDU-VVCDUNCFSA-N,,,,,,,,,,,
100.025.377,227-914-4,6035-54-7,Fructose 6-(barium phosphate),"[6-O-(phosphono-kappa~2~O,O')hex-2-ulosato(2-)]barium",OCC(=O)C(O)C(O)C(O)COP1(=O)O[Ba]O1,OCC(=O)C(O)C(O)C(O)COP1(=O)O[Ba]O1,"InChI=1/C6H13O9P.Ba/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h4-7,9-11H,1-2H2,(H2,12,13,14);/q;+2/p-2/rC6H11BaO9P/c8-1-3(9)5(11)6(12)4(10)2-14-17(13)15-7-16-17/h4-6,8,10-12H,1-2H2",C6H13O9P.Ba,,,,,,DJBNYGRIFMIHIS-UHFFFAOYSA-L,,,,,,,,,,,
100.015.970,217-566-1,1888-94-4,2-chloroethyl methacrylate,2-chloroethyl methacrylate,CC(=C)C(=O)OCCCl,CC(=C)C(=O)OCCCl,"InChI=1/C6H9ClO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3",C6H9ClO2,,,,,,GPOGMJLHWQHEGF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.972,217-568-2,1889-67-4,"1,1'-(1,1,2,2-tetramethylethylene)dibenzene","1,1'-(2,3-dimethylbutane-2,3-diyl)dibenzene",CC(C)(c1ccccc1)C(C)(C)c2ccccc2,CC(C)(c1ccccc1)C(C)(C)c2ccccc2,"InChI=1/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3",C18H22,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13835,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.972,HGTUJZTUQFXBIH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.974,217-570-3,1889-99-2,"3-bromo-2-hydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one","3-bromo-2-hydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one",CC1(C)C(=C(O)C(=O)C1(C)C)Br,CC1(C)C(=C(O)C(=O)C1(C)C)Br,"InChI=1/C9H13BrO2/c1-8(2)6(10)5(11)7(12)9(8,3)4/h11H,1-4H3",C9H13BrO2,,,,,,ZAUGLWIVUJBQBG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.977,217-574-5,1892-12-2,Hydroxymethylcyclododecane,cyclododecylmethanol,OCC1CCCCCCCCCCC1,OCC1CCCCCCCCCCC1,"InChI=1/C13H26O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h13-14H,1-12H2",C13H26O,,,,,,JQYWAZNRRQRPNN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.979,217-576-6,1892-29-1,"2,2'-dithiobisethanol","2,2'-disulfanediyldiethanol",OCCSSCCO,OCCSSCCO,"InChI=1/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2",C4H10O2S2,,,,,,KYNFOMQIXZUKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.983,217-580-8,1892-80-4,Fenetylline hydrochloride,"1,3-dimethyl-7-{2-[(1-methyl-2-phenylethyl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CC(Cc1ccccc1)NCCn2cnc3N(C)C(=O)N(C)C(=O)c23,Cl.CC(Cc1ccccc1)NCCn2cnc3N(C)C(=O)N(C)C(=O)c23,"InChI=1/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H",C18H23N5O2.ClH,,,,,,MVXGSLGVWBVZCA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.985,217-582-9,1893-91-0,"6ß-fluoro-5a,17,21-trihydroxy-16a-methylpregnane-3,20-dione 21-acetate","6-fluoro-5,17-dihydroxy-16-methyl-3,20-dioxopregnan-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H35FO6/c1-13-9-18-16-10-19(25)23(29)11-15(27)5-7-21(23,3)17(16)6-8-22(18,4)24(13,30)20(28)12-31-14(2)26/h13,16-19,29-30H,5-12H2,1-4H3",C24H35FO6,,,,,,XAEKFNIGPGAZHV-KRPSSRQNSA-N,,,,,,,,,,,
100.015.987,217-585-5,1895-26-7,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl] hydrogen phosphate","bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C24H9F42O4P/c25-5(26,7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)63)1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66/h1-4H2,(H,67,68)",C24H9F42O4P,,,,,,FHENBBPEACDTCF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.990,217-588-1,1897-45-6,Chlorothalonil,"2,4,5,6-tetrachloroisophthalonitrile",Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,InChI=1/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14,C8Cl4N2,,,,,,CRQQGFGUEAVUIL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.180,223-297-0,6/05/3813,Benazolin,"(4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid",OC(=O)CN1C(=O)Sc2cccc(Cl)c12,OC(=O)CN1C(=O)Sc2cccc(Cl)c12,"InChI=1/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)",C9H6ClNO3S,,,,,,HYJSGOXICXYZGS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.184,223-301-0,3813-52-3,"8,9,10-trinorborn-5-ene-2,3-dicarboxylic acid","bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",OC(=O)C1C2CC(C=C2)C1C(=O)O,OC(=O)C1C2CC(C=C2)C1C(=O)O,"InChI=1/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)",C9H10O4,,,,,,NIDNOXCRFUCAKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.194,223-312-0,3819-00-9,Piperacetazine,1-(10-{3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl}-10H-phenothiazin-2-yl)ethanone,CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1,CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1,"InChI=1/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3",C24H30N2O2S,,,,,,BTFMCMVEUCGQDX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.197,223-315-7,3820-67-5,Glafenine,"2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate",OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23,OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23,"InChI=1/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)",C19H17ClN2O4,,,,,,GWOFUCIGLDBNKM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.198,223-316-2,3820-69-7,Tris(4-ethylphenyl) phosphate,tris(4-ethylphenyl) phosphate,CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)Oc3ccc(CC)cc3)cc1,CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)Oc3ccc(CC)cc3)cc1,"InChI=1/C24H27O4P/c1-4-19-7-13-22(14-8-19)26-29(25,27-23-15-9-20(5-2)10-16-23)28-24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3",C24H27O4P,,,,,,BMPBPTNLNBRGOT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.744,226-117-9,5284-79-7,"2,6-bis(4-azidobenzylidene)-4-methylcyclohexan-1-one","2,6-bis(4-azidobenzylidene)-4-methylcyclohexanone",CC3CC(=Cc1ccc(/N=[N+]=[N-])cc1)C(=O)C(=Cc2ccc(/N=[N+]=[N-])cc2)C3,CC3CC(=Cc1ccc(/N=[N+]=[N-])cc1)C(=O)C(=Cc2ccc(/N=[N+]=[N-])cc2)C3,"InChI=1/C21H18N6O/c1-14-10-17(12-15-2-6-19(7-3-15)24-26-22)21(28)18(11-14)13-16-4-8-20(9-5-16)25-27-23/h2-9,12-14H,10-11H2,1H3",C21H18N6O,,,,,,MLIWQXBKMZNZNF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.489,215-937-2,1455-77-2,"1H-1,2,4-triazole-3,5-diamine","4H-1,2,4-triazole-3,5-diamine",Nc1nnc(N)[nH]1,Nc1nnc(N)[nH]1,"InChI=1/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)",C2H5N5,,,,,,PKWIYNIDEDLDCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.490,215-938-8,1456-22-0,"3-phenyl-1,2,4-oxadiazol-5(4H)-one","3-phenyl-1,2,4-oxadiazol-5(4H)-one",O=C1NC(=NO1)c2ccccc2,O=C1NC(=NO1)c2ccccc2,"InChI=1/C8H6N2O2/c11-8-9-7(10-12-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,11)",C8H6N2O2,,,,,,LMBDRBXGTCUBIH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.494,215-943-5,1457-58-5,2-methyl-1H-imidazole-4-carboxylic acid,2-methyl-1H-imidazole-4-carboxylic acid,Cc1nc(c[nH]1)C(=O)O,Cc1nc(c[nH]1)C(=O)O,"InChI=1/C5H6N2O2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)",C5H6N2O2,,,,,,DTUIYOVMTFYCBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.496,215-945-6,1457-85-8,Ethyl oxanilate,ethyl anilino(oxo)acetate,CCOC(=O)C(=O)Nc1ccccc1,CCOC(=O)C(=O)Nc1ccccc1,"InChI=1/C10H11NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)",C10H11NO3,,,,,,YDGAUBHNAKCSKF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.503,215-952-4,1460-02-2,"1,3,5-tri-tert-butylbenzene","1,3,5-tri-tert-butylbenzene",CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C,CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3",C18H30,,,,,,GUFMBISUSZUUCB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.506,215-956-6,1460-57-7,"trans-cyclohexane-1,2-diol","cyclohexane-1,2-diol",O[C@H]1CCCC[C@@H]1O,O[C@H]1CCCC[C@@H]1O,"InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2",C6H12O2,,,,,,PFURGBBHAOXLIO-WDSKDSINSA-N,,,,,,,,,,,
100.014.507,215-957-1,1461-15-0,Oftasccine,"2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylenenitrilo)]tetraacetic acid",OC(=O)CN(CC(=O)O)Cc1cc2c(Oc3cc(O)c(CN(CC(=O)O)CC(=O)O)cc3C24OC(=O)c5ccccc45)cc1O,OC(=O)CN(CC(=O)O)Cc1cc2c(Oc3cc(O)c(CN(CC(=O)O)CC(=O)O)cc3C24OC(=O)c5ccccc45)cc1O,"InChI=1/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)",C30H26N2O13,,,,,,DEGAKNSWVGKMLS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.508,215-958-7,1461-22-9,Tributyltin chloride,tributylstannanylium chloride,[Cl-].CCCC[Sn+](CCCC)CCCC,[Cl-].CCCC[Sn+](CCCC)CCCC,"InChI=1/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC12H27Sn.ClH/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1",C12H27ClSn,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13798,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.508,GCTFWCDSFPMHHS-UHFFFAOYSA-M,,,,,,,,,,,
100.014.509,215-959-2,1461-23-0,Tributyltin bromide,tributylstannanylium bromide,[Br-].CCCC[Sn+](CCCC)CCCC,[Br-].CCCC[Sn+](CCCC)CCCC,"InChI=1/3C4H9.BrH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC12H27Sn.BrH/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1",C12H27BrSn,,,,,,FVRKTAOFDKFAMI-UHFFFAOYSA-M,,,,,,,,,,,
100.014.512,215-962-9,1461-97-8,"trans-DL-cyclopentane-1,2-dicarboxylic acid","cyclopentane-1,2-dicarboxylic acid",OC(=O)C1CCCC1C(=O)O,OC(=O)C1CCCC1C(=O)O,"InChI=1/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)",C7H10O4,,,,,,ASJCSAKCMTWGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.517,215-968-1,1462-54-0,3-dodecylaminopropionic acid,N-dodecyl-beta-alanine,CCCCCCCCCCCCNCCC(=O)O,CCCCCCCCCCCCNCCC(=O)O,"InChI=1/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18/h16H,2-14H2,1H3,(H,17,18)",C15H31NO2,,,,,,AEDQNOLIADXSBB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.520,215-971-8,1462-86-8,3-aminopyridine-2-carboxylic acid,3-aminopyridine-2-carboxylic acid,Nc1cccnc1C(=O)O,Nc1cccnc1C(=O)O,"InChI=1/C6H6N2O2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,7H2,(H,9,10)",C6H6N2O2,,,,,,BOOMHTFCWOJWFO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.524,215-976-5,1463-95-2,2-[2-[(5-bromo-2-pyridyl)amino]vinyl]-1-ethyl-6-methylpyridinium iodide,2-{2-[(5-bromopyridin-2-yl)amino]vinyl}-1-ethyl-6-methylpyridinium iodide,[I-].CC[n+]1c(C)cccc1\\C=C\\Nc2ccc(Br)cn2,[I-].CC[n+]1c(C)cccc1\C=C\Nc2ccc(Br)cn2,"InChI=1/C15H16BrN3.HI/c1-3-19-12(2)5-4-6-14(19)9-10-17-15-8-7-13(16)11-18-15;/h4-11H,3H2,1-2H3;1H",C15H17BrN3.I,,,,,,FEYNAYMVKUTMFN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.527,215-979-1,1464-53-5,"2,2'-bioxirane","2,2'-bioxirane",C1OC1C2CO2,C1OC1C2CO2,"InChI=1/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2",C4H6O2,,,,,,ZFIVKAOQEXOYFY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.535,215-988-0,1466-88-2,2-nitrocinnamaldehyde,3-(2-nitrophenyl)acrylaldehyde,[O-][N+](=O)c1ccccc1\\C=C\\C=O,[O-][N+](=O)c1ccccc1\C=C\C=O,InChI=1/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H,C9H7NO3,,,,,,VMSMELHEXDVEDE-HWKANZROSA-N,,,,,,,,,,,
100.014.536,215-989-6,1467-35-2,"2,3,4-trimethylaniline","2,3,4-trimethylaniline",Cc1ccc(N)c(C)c1C,Cc1ccc(N)c(C)c1C,"InChI=1/C9H13N/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3",C9H13N,,,,,,RLIPQCDHACHPJW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.817,230-598-0,7212-69-3,Dimethyldioleylammonium chloride,"N,N-dimethyl-N-octadec-9-en-1-yloctadec-9-en-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](C)(C)CCCCCCCC\\C=C/CCCCCCCC,[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(C)CCCCCCCC\C=C/CCCCCCCC,"InChI=1/C38H76N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22H,5-18,23-38H2,1-4H3;1H/q+1;/p-1",C38H76N.Cl,,,,,,UAKOZKUVZRMOFN-JDVCJPALSA-M,,,,,,,,,,,
100.027.821,230-603-6,7216-56-0,"(E,Z)-2,6-dimethylocta-2,4,6-triene","2,6-dimethylocta-2,4,6-triene",CC(=CC)C=C\\C=C(\\C)C,CC(=CC)C=C\C=C(\C)C,"InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3",C10H16,,,,,,GQVMHMFBVWSSPF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.825,230-607-8,7217-83-6,2-methyloctadecanoic acid,2-methyloctadecanoic acid,CCCCCCCCCCCCCCCCC(C)C(=O)O,CCCCCCCCCCCCCCCCC(C)C(=O)O,"InChI=1/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",C19H38O2,,,,,,GBZDALHFANHWOF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.827,230-609-9,4/04/7218,N-acetyl-DL-cysteine,N-acetyl-L-cysteine,CC(=O)N[C@@H](CS)C(=O)O,CC(=O)N[C@@H](CS)C(=O)O,"InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)",C5H9NO3S,,,,,,PWKSKIMOESPYIA-BYPYZUCNSA-N,,,,,,,,,,,
100.024.545,226-999-5,5590-18-1,"3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]","3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)",Clc1c(Cl)c(Cl)c2C(=NC(=O)c2c1Cl)Nc3ccc(NC4=NC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)cc3,Clc1c(Cl)c(Cl)c2C(=NC(=O)c2c1Cl)Nc3ccc(NC4=NC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)cc3,"InChI=1/C22H6Cl8N4O2/c23-11-7-9(13(25)17(29)15(11)27)21(35)33-19(7)31-5-1-2-6(4-3-5)32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24/h1-4H,(H,31,33,35)(H,32,34,36)",C22H6Cl8N4O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17483,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.545,QRFIXNBFUBOBTH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.551,227-005-2,5593-20-4,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17,21-di(propionate)","9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate",CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3",C28H37FO7,,,,,,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,,,,,,,,,,,
100.024.554,227-008-9,5595-18-6,4-(4-ethylcyclohexyl)-4-methylpentan-2-one,4-(4-ethylcyclohexyl)-4-methylpentan-2-one,CCC1CCC(CC1)C(C)(C)CC(=O)C,CCC1CCC(CC1)C(C)(C)CC(=O)C,"InChI=1/C14H26O/c1-5-12-6-8-13(9-7-12)14(3,4)10-11(2)15/h12-13H,5-10H2,1-4H3",C14H26O,,,,,,NUUIYEWNUZLOKL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.564,227-019-9,5600-62-4,4-(4-nitrophenyl)butyric acid,4-(4-nitrophenyl)butanoic acid,OC(=O)CCCc1ccc(cc1)[N+](=O)[O-],OC(=O)CCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)",C10H11NO4,,,,,,WQMLUHZFRFCQDB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.568,227-024-6,5604-55-7,Pent-3-enal,pent-3-enal,CC=CCC=O,CC=CCC=O,"InChI=1/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3",C5H8O,,,,,,WUCQRXWCJPCWTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.574,227-030-9,5610-94-6,"4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c3OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)C1=O,[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c3OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)C1=O,"InChI=1/C43H22N6O13S3/c44-47-31-19-15-24-27(39(31)51)9-4-12-35(24)63(54,55)60-34-22-18-30(38(50)23-7-2-1-3-8-23)42(61-64(56,57)36-13-5-10-28-25(36)16-20-32(48-45)40(28)52)43(34)62-65(58,59)37-14-6-11-29-26(37)17-21-33(49-46)41(29)53/h1-22H",C43H22N6O13S3,,,,,,IYBMFZHGMIRLPI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.577,227-034-0,5614-56-2,"2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid","(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid",CN1C(=O)N(CC(=O)O)C(=O)c2c1ncn2C,CN1C(=O)N(CC(=O)O)C(=O)c2c1ncn2C,"InChI=1/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)",C9H10N4O4,,,,,,YCTSCXLOPJCPDH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.580,227-037-7,5616-32-0,Methylaminoacetonitrile,(methylamino)acetonitrile,CNCC#N,CNCC#N,"InChI=1/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3",C3H6N2,,,,,,PVVRRUUMHFWFQV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.583,227-040-3,5617-32-3,"3,6,9,12,15,18-hexaoxaicosane-1,20-diol","3,6,9,12,15,18-hexaoxaicosane-1,20-diol",OCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2",C14H30O8,,,,,,XPJRQAIZZQMSCM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.584,227-041-9,5617-41-4,Heptylcyclohexane,heptylcyclohexane,CCCCCCCC1CCCCC1,CCCCCCCC1CCCCC1,"InChI=1/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3",C13H26,,,,,,MSTLSCNJAHAQNU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.378,227-916-5,6035-55-8,"D-Fructose, 6-(dihydrogen phosphate), magnesium salt (1:1)","[6-O-(phosphono-kappa~2~O,O')hex-2-ulosato(2-)]magnesium",OCC(=O)C(O)C(O)C(O)COP1(=O)O[Mg]O1,OCC(=O)C(O)C(O)C(O)COP1(=O)O[Mg]O1,"InChI=1/C6H13O9P.Mg/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h4-7,9-11H,1-2H2,(H2,12,13,14);/q;+2/p-2/rC6H11MgO9P/c8-1-3(9)5(11)6(12)4(10)2-14-17(13)15-7-16-17/h4-6,8,10-12H,1-2H2",C6H13O9P.Mg,,,,,,GDWOZUVKLKQSER-UHFFFAOYSA-L,,,,,,,,,,,
100.025.390,227-929-6,6041-29-8,"1-amino-N-[3-(cyclohexylmethylamino)propyl]-9,10-dihydro-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide","1-amino-N-{3-[(cyclohexylmethyl)amino]propyl}-4-(methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide",CNc1cc(C(=O)NCCCNCC2CCCCC2)c(N)c3C(=O)c4ccccc4C(=O)c13,CNc1cc(C(=O)NCCCNCC2CCCCC2)c(N)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C26H32N4O3/c1-28-20-14-19(26(33)30-13-7-12-29-15-16-8-3-2-4-9-16)23(27)22-21(20)24(31)17-10-5-6-11-18(17)25(22)32/h5-6,10-11,14,16,28-29H,2-4,7-9,12-13,15,27H2,1H3,(H,30,33)",C26H32N4O3,,,,,,RIGHPYQRHWRUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.393,227-932-2,8/12/6044,"O,O,O-tris(2-chloro-1-methylethyl) phosphorothioate","O,O,O-tris(2-chloro-1-methylethyl) thiophosphate",CC(CCl)OP(=S)(OC(C)CCl)OC(C)CCl,CC(CCl)OP(=S)(OC(C)CCl)OC(C)CCl,"InChI=1/C9H18Cl3O3PS/c1-7(4-10)13-16(17,14-8(2)5-11)15-9(3)6-12/h7-9H,4-6H2,1-3H3",C9H18Cl3O3PS,,,,,,MTWHVJXVRCNIOU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.394,227-933-8,6044-30-0,2-naphthyl ß-D-glucopyranoside,2-naphthyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2",C16H18O6,,,,,,MWHKPYATGMFFPI-IBEHDNSVSA-N,,,,,,,,,,,
100.025.398,227-938-5,6045-53-0,"Estra-1,3,5(10)-triene-3,17a-diol 3-benzoate","17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate",C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@H]2O,C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@H]2O,"InChI=1/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3",C25H28O3,,,,,,UYIFTLBWAOGQBI-ABMICEGHSA-N,,,,,,,,,,,
100.025.399,227-939-0,6045-63-2,"12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione phosphate","12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman phosphate (salt)",OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]7(O)N(C5=O)[C@@H](CC(C)C)C(=O)N6CCC[C@H]67)C(C)C,OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]7(O)N(C5=O)[C@@H](CC(C)C)C(=O)N6CCC[C@H]67)C(C)C,"InChI=1/C32H41N5O5.H3O4P/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38);(H3,1,2,3,4)",C32H41N5O5.xH3O4P,,,,,,PFQLMECPCIPLLO-DRHOTACKSA-N,,,,,,,,,,,
100.025.405,227-945-3,6048-29-9,Phenacyltriphenylphosphonium bromide,(2-oxo-2-phenylethyl)(triphenyl)phosphonium bromide,[Br-].O=C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4,[Br-].O=C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C26H22OP.BrH/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1",C26H22OP.Br,,,,,,AEHDSYHVTDJGDN-UHFFFAOYSA-M,,,,,,,,,,,
100.025.407,227-947-4,6048-88-0,"5,9-dimethyldeca-2,4,8-trienal","5,9-dimethyldeca-2,4,8-trienal",C/C(C)=C\\CCC(C)=CC=CC=O,C/C(C)=C\CCC(C)=CC=CC=O,"InChI=1/C12H18O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h4-5,7-8,10H,6,9H2,1-3H3",C12H18O,,,,,,BSKPLLBQVGLMGO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.412,227-953-7,6050-81-3,2-acetylthioethyltrimethylammonium chloride,"2-(acetylsulfanyl)-N,N,N-trimethylethanaminium chloride",[Cl-].CC(=O)SCC[N+](C)(C)C,[Cl-].CC(=O)SCC[N+](C)(C)C,"InChI=1/C7H16NOS.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",C7H16NOS.Cl,,,,,,GZYVLKKMMDFCKR-UHFFFAOYSA-M,,,,,,,,,,,
100.014.543,215-996-4,1468-83-3,Methyl 3-thienyl ketone,1-(3-thienyl)ethanone,CC(=O)c1ccsc1,CC(=O)c1ccsc1,"InChI=1/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3",C6H6OS,,,,,,RNIDWJDZNNVFDY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.546,216-000-0,1470-35-5,Isobromindione,"5-bromo-2-phenyl-1H-indene-1,3(2H)-dione",Brc1ccc2C(=O)C(C(=O)c2c1)c3ccccc3,Brc1ccc2C(=O)C(C(=O)c2c1)c3ccccc3,"InChI=1/C15H9BrO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H",C15H9BrO2,,,,,,QFLZIWVSQDZLNW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.550,216-004-2,1470-79-7,"2,4,4'-trihydroxybenzophenone","(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone",Oc1ccc(cc1)C(=O)c2ccc(O)cc2O,Oc1ccc(cc1)C(=O)c2ccc(O)cc2O,"InChI=1/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H",C13H10O4,,,,,,OKJFKPFBSPZTAH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.551,216-005-8,1470-83-3,Lithium p-toluenesulphonate,lithium 4-methylbenzenesulfonate,[Li+].Cc1ccc(cc1)S(=O)(=O)[O-],[Li+].Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.Li/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",C7H8O3S.Li,,,,,,IOEDDFFKYCBADJ-UHFFFAOYSA-M,,,,,,,,,,,
100.014.557,216-012-6,1472-87-3,Dimethyl tridecanedioate,dimethyl tridecanedioate,COC(=O)CCCCCCCCCCCC(=O)OC,COC(=O)CCCCCCCCCCCC(=O)OC,"InChI=1/C15H28O4/c1-18-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)19-2/h3-13H2,1-2H3",C15H28O4,,,,,,WWSBQOYADFGDQE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.200,223-318-3,3821-81-6,3-amino-2-fluoropropionic acid,3-amino-2-fluoropropanoic acid,NCC(F)C(=O)O,NCC(F)C(=O)O,"InChI=1/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)",C3H6FNO2,,,,,,OJQNRNQELNLWHH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.203,223-322-5,3826-47-9,2-(2-fluorophenyl)-1-phenylethan-1-one,2-(2-fluorophenyl)-1-phenylethanone,Fc1ccccc1CC(=O)c2ccccc2,Fc1ccccc1CC(=O)c2ccccc2,"InChI=1/C14H11FO/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11/h1-9H,10H2",C14H11FO,,,,,,MSFWCLUJEBQNPL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.207,223-326-7,3836-23-5,Norethisterone enantate,17-ethynyl-3-oxoestr-4-en-17-yl heptanoate,CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,"InChI=1/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3",C27H38O3,,,,,,APTGJECXMIKIET-UHFFFAOYSA-N,,,,,,,,,,,
100.021.208,223-327-2,3836-78-0,6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-5-{[4-chloro-2-(trifluoromethyl)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonic acid,Clc3cc(c(N=Nc1c2c(O)cc(cc2ccc1N)S(O)(=O)=O)cc3)C(F)(F)F,Clc3cc(c(N=Nc1c2c(O)cc(cc2ccc1N)S(O)(=O)=O)cc3)C(F)(F)F,"InChI=1/C17H11ClF3N3O4S/c18-9-2-4-13(11(6-9)17(19,20)21)23-24-16-12(22)3-1-8-5-10(29(26,27)28)7-14(25)15(8)16/h1-7,25H,22H2,(H,26,27,28)",C17H11ClF3N3O4S,,,,,,QUNVBZBEOIMRIE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.213,223-333-5,3841-14-3,"6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxynaphthalene-1,3-disulphonic] acid","6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)",COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c6,COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c6,"InChI=1/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",C34H28N6O16S4,,,,,,OHMJKMNGYYWCHB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.214,223-334-0,3841-15-4,Trisodium 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]salicylate,trisodium 5-{[4-({4-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}-2-hydroxybenzoate,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc7ccc(N=Nc5ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c4ccccc45)c6cc(ccc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc7ccc(N=Nc5ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c4ccccc45)c6cc(ccc67)S([O-])(=O)=O,"InChI=1/C37H25N7O10S2.3Na/c38-20-5-8-23-19(15-20)16-34(56(52,53)54)35(36(23)46)44-43-30-11-10-29(24-3-1-2-4-25(24)30)41-42-32-13-12-31(26-9-7-22(18-27(26)32)55(49,50)51)40-39-21-6-14-33(45)28(17-21)37(47)48;;;/h1-18,45-46H,38H2,(H,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C37H25N7O10S2.3Na,,,,,,PTELSJWAVIWPMR-UHFFFAOYSA-K,,,,,,,,,,,
100.021.216,223-336-1,3843-16-1,Dimethyldi(octadecyl)ammonium methyl sulphate,"N,N-dimethyl-N-octadecyloctadecan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C38H80N.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-38H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C38H80N.CH3O4S,,,,,,FPDLLPXYRWELCU-UHFFFAOYSA-M,,,,,,,,,,,
100.021.217,223-337-7,3843-17-2,Chromium tristearate,-,[Cr+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Cr+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O2.Cr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+2/p-3",C18H36O2.1/3Cr,,,,,,KRIDRIVYMYWNBL-UHFFFAOYSA-K,,,,,,,,,,,
100.018.110,219-920-0,2572-61-4,"7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride","7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CN1C(=O)N(C)c2ncn(CCNCC(O)c3ccc(O)c(O)c3)c2C1=O,Cl.CN1C(=O)N(C)c2ncn(CCNCC(O)c3ccc(O)c(O)c3)c2C1=O,"InChI=1/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H",C17H21N5O5.ClH,,,,,,CSKCJAUXLOQTMM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.111,219-921-6,2572-92-1,Ethyl <U+03B3>-cyano-<U+03B3>-methylbenzenebutyrate,ethyl 4-cyano-4-phenylpentanoate,CCOC(=O)CCC(C)(C#N)c1ccccc1,CCOC(=O)CCC(C)(C#N)c1ccccc1,"InChI=1/C14H17NO2/c1-3-17-13(16)9-10-14(2,11-15)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3",C14H17NO2,,,,,,PNOOWJWGNVEQPV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.112,219-922-1,2573-69-5,Zinc bis(dicyclohexyldithiophosphinate),zinc bis(dicyclohexylphosphinodithioate),[Zn+2].[S-]P(=S)(C1CCCCC1)C2CCCCC2.[S-]P(=S)(C3CCCCC3)C4CCCCC4,[Zn+2].[S-]P(=S)(C1CCCCC1)C2CCCCC2.[S-]P(=S)(C3CCCCC3)C4CCCCC4,"InChI=1/2C12H23PS2.Zn/c2*14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h2*11-12H,1-10H2,(H,14,15);/q;;+2/p-2",C12H23PS2.1/2Zn,,,,,,OFROEAZLQCMCPL-UHFFFAOYSA-L,,,,,,,,,,,
100.018.115,219-925-8,2576-67-2,N-(N-glycyl-L-leucyl)glycine,glycyl-L-leucylglycine,CC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)O,CC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)O,"InChI=1/C10H19N3O4/c1-6(2)3-7(13-8(14)4-11)10(17)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)",C10H19N3O4,,,,,,CCBIBMKQNXHNIN-ZETCQYMHSA-N,,,,,,,,,,,
100.014.316,215-748-5,1400-58-4,"O,O'-(5-oxo-1,3-dioxolan-4-ylidene)bis(methylenecarbonyl)di(salicylic acid)","2,2'-{(5-oxo-1,3-dioxolane-4,4-diyl)bis[(1-oxoethane-2,1-diyl)oxy]}dibenzoic acid",OC(=O)c1ccccc1OC(=O)CC2(CC(=O)Oc3ccccc3C(=O)O)OCOC2=O,OC(=O)c1ccccc1OC(=O)CC2(CC(=O)Oc3ccccc3C(=O)O)OCOC2=O,"InChI=1/C21H16O11/c22-16(31-14-7-3-1-5-12(14)18(24)25)9-21(20(28)29-11-30-21)10-17(23)32-15-8-4-2-6-13(15)19(26)27/h1-8H,9-11H2,(H,24,25)(H,26,27)",C21H16O11,,,,,,MZRMRMTUUHHONC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.600,214-960-5,1226-42-2,"4,4'-dimethoxybenzil","1,2-bis(4-methoxyphenyl)ethane-1,2-dione",COc1ccc(cc1)C(=O)C(=O)c2ccc(OC)cc2,COc1ccc(cc1)C(=O)C(=O)c2ccc(OC)cc2,"InChI=1/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3",C16H14O4,,,,,,YNANGXWUZWWFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.602,214-962-6,1226-46-6,"4,4'-bis(dimethylamino)thiobenzophenone",bis{4-[(dimethylamino)sulfanyl]phenyl}methanone,CN(C)Sc1ccc(cc1)C(=O)c2ccc(SN(C)C)cc2,CN(C)Sc1ccc(cc1)C(=O)c2ccc(SN(C)C)cc2,"InChI=1/C17H20N2OS2/c1-18(2)21-15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)22-19(3)4/h5-12H,1-4H3",C17H20N2S,,,,,,LBZRTKPUFFVQMN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.603,214-963-1,1227-61-8,Mefexamide,N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide,CCN(CC)CCNC(=O)COc1ccc(OC)cc1,CCN(CC)CCNC(=O)COc1ccc(OC)cc1,"InChI=1/C15H24N2O3/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)",C15H24N2O3,,,,,,HUNIPYLVUPMFCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.604,214-964-7,1227-99-2,a-phenyl-a-2-thienylmorpholinepropan-1-ol,3-morpholin-4-yl-3-phenyl-3-(2-thienyl)propan-1-ol,OCCC(N1CCOCC1)(c2ccccc2)c3cccs3,OCCC(N1CCOCC1)(c2ccccc2)c3cccs3,"InChI=1/C17H21NO2S/c19-11-8-17(16-7-4-14-21-16,15-5-2-1-3-6-15)18-9-12-20-13-10-18/h1-7,14,19H,8-13H2",C17H21NO2S,,,,,,KSDLQUXUZHPAGK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.606,214-966-8,1229-29-4,Doxepin hydrochloride,"3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride",Cl.CN(C)CCC=C1c3ccccc3OCc2ccccc12,Cl.CN(C)CCC=C1c3ccccc3OCc2ccccc12,"InChI=1/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H",C19H21NO.ClH,,,,,,MHNSPTUQQIYJOT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.607,214-967-3,1229-35-2,Methdilazine hydrochloride,10-[(1-methylpyrrolidin-3-yl)methyl]-10H-phenothiazine hydrochloride,Cl.CN1CCC(CN2c3ccccc3Sc4ccccc24)C1,Cl.CN1CCC(CN2c3ccccc3Sc4ccccc24)C1,"InChI=1/C18H20N2S.ClH/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20;/h2-9,14H,10-13H2,1H3;1H",C18H20N2S.ClH,,,,,,IEISBKIVLDXSMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.613,214-974-1,1235-21-8,Acetonyltriphenylphosphonium chloride,(2-oxopropyl)(triphenyl)phosphonium chloride,[Cl-].CC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].CC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H20OP.ClH/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,17H2,1H3;1H/q+1;/p-1",C21H20OP.Cl,,,,,,XAMZZEBAJZJERT-UHFFFAOYSA-M,,,,,,,,,,,
100.013.614,214-975-7,1235-77-4,"[1R-(1a,4aa,5a,8aß)]-5-[2-(3-furyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthoic acid","16-hydroxy-16-oxo-19,20-didehydro-5,6,7,8,10,11,12-octahydro-20:5,10-dicycloretinal",CC12CCCC(C)(C1CCC(=C)C2CCc3cocc3)C(=O)O,CC12CCCC(C)(C1CCC(=C)C2CCc3cocc3)C(=O)O,"InChI=1/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)",C20H28O3,,,,,,ZQHJXKYYELWEOK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.615,214-976-2,1235-82-1,Biperiden hydrochloride,1-bicyclo[2.2.1]hept-5-en-2-yl-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride,Cl.OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,Cl.OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,"InChI=1/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H",C21H29NO.ClH,,,,,,RDNLAULGBSQZMP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.616,214-977-8,1236-36-8,"7-[2-(benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride","7-[2-(benzylamino)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CN1C(=O)N(C)c2ncn(CCNCc3ccccc3)c2C1=O,Cl.CN1C(=O)N(C)c2ncn(CCNCc3ccccc3)c2C1=O,"InChI=1/C16H19N5O2.ClH/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12;/h3-7,11,17H,8-10H2,1-2H3;1H",C16H19N5O2.ClH,,,,,,ZDYNLEXCQDOPCC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.624,214-986-7,1240-37-5,"1,3-di-1-naphthyl-2-thiourea","1,3-di-1-naphthylthiourea",S=C(Nc1cccc2ccccc12)Nc3cccc4ccccc34,S=C(Nc1cccc2ccccc12)Nc3cccc4ccccc34,"InChI=1/C21H16N2S/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,22,23,24)",C21H16N2S,,,,,,VFCZSWPNOOGGAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.627,214-989-3,1244-76-4,2-[2-[4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethanol hydrochloride,2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol hydrochloride,Cl.OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,Cl.OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,"InChI=1/C21H27ClN2O2.ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;/h1-9,21,25H,10-17H2;1H",C21H27ClN2O2.ClH,,,,,,IPSVAUIEEPSJRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.586,227-044-5,5617-70-9,"6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione","6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione",CC1(C)OC(=O)C2(CC2)C(=O)O1,CC1(C)OC(=O)C2(CC2)C(=O)O1,"InChI=1/C8H10O4/c1-7(2)11-5(9)8(3-4-8)6(10)12-7/h3-4H2,1-2H3",C8H10O4,,,,,,AXJVPXNVESYGDT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.587,227-045-0,5617-92-5,"2,2-dimethyl-3-(2-methylpropenyl)cyclopropanemethanol","[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanol",CC(=CC1C(CO)C1(C)C)C,CC(=CC1C(CO)C1(C)C)C,"InChI=1/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3",C10H18O,,,,,,HIPIENNKVJCMAP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.401,230-141-5,6956-37-2,"(3,3-diethoxypropyl)benzene","(3,3-diethoxypropyl)benzene",CCOC(CCc1ccccc1)OCC,CCOC(CCc1ccccc1)OCC,"InChI=1/C13H20O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",C13H20O2,,,,,,PUAHZQALAWRSNP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.406,230-146-2,6957-24-0,Pyridine-2-carbaldehyde (2-pyridylmethylene)hydrazone,"2,2'-(hydrazine-1,2-diylidenedimethylylidene)dipyridine",N(N=Cc1ccccn1)=Cc2ccccn2,N(N=Cc1ccccn1)=Cc2ccccn2,InChI=1/C12H10N4/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12/h1-10H,C12H10N4,,,,,,DMQJTSJKMFPBMN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.414,230-155-1,6961-46-2,Idrocilamide,N-(2-hydroxyethyl)-3-phenylacrylamide,OCCNC(=O)C=Cc1ccccc1,OCCNC(=O)C=Cc1ccccc1,"InChI=1/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)",C11H13NO2,,,,,,OSCTXCOERRNGLW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.416,230-157-2,6962-44-3,N-(2-methoxy-5-methylphenyl)acetamide,N-(2-methoxy-5-methylphenyl)acetamide,COc1ccc(C)cc1NC(=O)C,COc1ccc(C)cc1NC(=O)C,"InChI=1/C10H13NO2/c1-7-4-5-10(13-3)9(6-7)11-8(2)12/h4-6H,1-3H3,(H,11,12)",C10H13NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5717,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.416,POLMNXCVMYMLSF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.421,230-163-5,6963-56-0,Anisyl butyrate,4-methoxybenzyl butyrate,COc1ccc(COC(=O)CCC)cc1,COc1ccc(COC(=O)CCC)cc1,"InChI=1/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3",C12H16O3,,,,,,MEPOOZLETHNMSR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.423,230-165-6,6964-20-1,"2,2'-(decamethylenedithio)diethanol","2,2'-(decane-1,10-diyldisulfanediyl)diethanol",OCCSCCCCCCCCCCSCCO,OCCSCCCCCCCCCCSCCO,"InChI=1/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2",C14H30O2S2,,,,,,WRCITXQNXAIKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.424,230-166-1,6964-21-2,3-thienylacetic acid,3-thienylacetic acid,OC(=O)Cc1ccsc1,OC(=O)Cc1ccsc1,"InChI=1/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)",C6H6O2S,,,,,,RCNOGGGBSSVMAS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.425,230-167-7,6964-23-4,3-(octylthio)propionic acid,3-(octylsulfanyl)propanoic acid,CCCCCCCCSCCC(=O)O,CCCCCCCCSCCC(=O)O,"InChI=1/C11H22O2S/c1-2-3-4-5-6-7-9-14-10-8-11(12)13/h2-10H2,1H3,(H,12,13)",C11H22O2S,,,,,,OIXUWMYLRUBAHK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.428,230-170-3,6965-71-5,"2-(2,5-dichlorophenoxy)propionic acid","2-(2,5-dichlorophenoxy)propanoic acid",CC(Oc1cc(Cl)ccc1Cl)C(=O)O,CC(Oc1cc(Cl)ccc1Cl)C(=O)O,"InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13)",C9H8Cl2O3,,,,,,LDRYOEIGQCIMEK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.443,230-187-6,6968-72-5,Pyridine-3-methanol N-oxide,(1-oxidopyridin-3-yl)methanol,OCc1ccc[n+]([O-])c1,OCc1ccc[n+]([O-])c1,"InChI=1/C6H7NO2/c8-5-6-2-1-3-7(9)4-6/h1-4,8H,5H2",C6H7NO2,,,,,,LQYJAVWWKTWWKN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.446,230-190-2,6969-49-9,Octyl salicylate,octyl salicylate,CCCCCCCCOC(=O)c1ccccc1O,CCCCCCCCOC(=O)c1ccccc1O,"InChI=1/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3",C15H22O3,,,,,,WCJLCOAEJIHPCW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.188,226-607-2,6/11/5437,"1-phenylbiguanide, compound with benzothiazole-2(3H)-thione (1:1)","N-phenylimidodicarbonimidic diamide - 1,3-benzothiazole-2(3H)-thione (1:1)",NC(=N)NC(=N)Nc1ccccc1.S=C2Nc3ccccc3S2,NC(=N)NC(=N)Nc1ccccc1.S=C2Nc3ccccc3S2,"InChI=1/C8H11N5.C7H5NS2/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;9-7-8-5-3-1-2-4-6(5)10-7/h1-5H,(H6,9,10,11,12,13);1-4H,(H,8,9)",C8H11N5.C7H5NS2,,,,,,HQXQVKSGCXSRGH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.192,226-611-4,5437-45-6,Benzyl bromoacetate,benzyl bromoacetate,BrCC(=O)OCc1ccccc1,BrCC(=O)OCc1ccccc1,"InChI=1/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2",C9H9BrO2,,,,,,JHVLLYQQQYIWKX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.200,226-620-3,5439-93-0,[[(diethylamino)thioxomethyl]thio]acetic acid,[(diethylcarbamothioyl)sulfanyl]acetic acid,CCN(CC)C(=S)SCC(=O)O,CCN(CC)C(=S)SCC(=O)O,"InChI=1/C7H13NO2S2/c1-3-8(4-2)7(11)12-5-6(9)10/h3-5H2,1-2H3,(H,9,10)",C7H13NO2S2,,,,,,JLMPJCQRACBHOF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.201,226-621-9,5440-00-6,"5,6-diamino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione","5,6-diamino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione",CN1C(=C(N)C(=O)N(C)C1=O)N,CN1C(=C(N)C(=O)N(C)C1=O)N,"InChI=1/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3",C6H10N4O2,,,,,,BGQNOPFTJROKJE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.563,216-018-9,1475-12-3,"2,5-dichloro-a-methylbenzyl alcohol","1-(2,5-dichlorophenyl)ethanol",CC(O)c1cc(Cl)ccc1Cl,CC(O)c1cc(Cl)ccc1Cl,"InChI=1/C8H8Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3",C8H8Cl2O,,,,,,RDMKUSDLLGKMCK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.564,216-019-4,1475-13-4,"2,4-dichloro-a-methylbenzyl alcohol","1-(2,4-dichlorophenyl)ethanol",CC(O)c1ccc(Cl)cc1Cl,CC(O)c1ccc(Cl)cc1Cl,"InChI=1/C8H8Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3",C8H8Cl2O,,,,,,KWZDYNBHZMQRLS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.566,216-022-0,1476-39-7,"N,N'-pentane-1,5-diyldiammonium dichloride","pentane-1,5-diaminium dichloride",[Cl-].[Cl-].[NH3+]CCCCC[NH3+],[Cl-].[Cl-].[NH3+]CCCCC[NH3+],InChI=1/C5H14N2.2ClH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H,C5H14N2.2ClH,,,,,,FGNLEIGUMSBZQP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.567,216-023-6,1476-53-5,Novobiocin sodium,-,[Na+].CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C,[Na+].CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C,"InChI=1/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1",C31H36N2O11.Na,,,,,,WWPRGAYLRGSOSU-RNROJPEYSA-N,,,,,,,,,,,
100.014.578,216-035-1,1477-68-5,5-(2-aminoethyl)guaiacol hydrochloride,5-(2-aminoethyl)-2-methoxyphenol hydrochloride,Cl.COc1ccc(CCN)cc1O,Cl.COc1ccc(CCN)cc1O,"InChI=1/C9H13NO2.ClH/c1-12-9-3-2-7(4-5-10)6-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H",C9H13NO2.ClH,,,,,,KAAFITWSSODFMA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.580,216-037-2,1479-58-9,2-amino-5-bromo-2'-fluorobenzophenone,(2-amino-5-bromophenyl)(2-fluorophenyl)methanone,Nc1ccc(Br)cc1C(=O)c2ccccc2F,Nc1ccc(Br)cc1C(=O)c2ccccc2F,"InChI=1/C13H9BrFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2",C13H9BrFNO,,,,,,XCOKDXNGCQXFCV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.582,216-039-3,1481-41-0,"Chlorodimethyl(3,3,3-trifluoropropyl)silane","chloro(dimethyl)(3,3,3-trifluoropropyl)silane",C[Si](C)(Cl)CCC(F)(F)F,C[Si](C)(Cl)CCC(F)(F)F,"InChI=1/C5H10ClF3Si/c1-10(2,6)4-3-5(7,8)9/h3-4H2,1-2H3",C5H10ClF3Si,,,,,,KBAZUXSLKGQRJF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.591,216-049-8,1483-72-3,Diphenyliodonium chloride,diphenyliodonium chloride,[Cl-].[I+](c1ccccc1)c2ccccc2,[Cl-].[I+](c1ccccc1)c2ccccc2,InChI=1/C12H10I.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1,C12H10I.Cl,,,,,,RSJLWBUYLGJOBD-UHFFFAOYSA-M,,,,,,,,,,,
100.014.354,215-789-9,1405-92-1,"[3R-(3a,3aß,7ß,8aa)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate","(6-butyl-7,7-dimethylbicyclo[3.2.1]oct-2-en-2-yl)methyl acetate",CCCCC1C2CC=C(COC(=O)C)C(C2)C1(C)C,CCCCC1C2CC=C(COC(=O)C)C(C2)C1(C)C,"InChI=1/C17H28O2/c1-5-6-7-15-13-8-9-14(11-19-12(2)18)16(10-13)17(15,3)4/h9,13,15-16H,5-8,10-11H2,1-4H3",C17H26O2,,,,,,NBAONGHMJXXJLS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.371,215-808-0,1415-73-2,"(R)-10-ß-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)anthracen-9(10H)-one","1,5-anhydro-1-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol",OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24,"InChI=1/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2",C21H22O9,,,,,,AFHJQYHRLPMKHU-WEZNYRQKSA-N,,,,,,,,,,,
100.014.374,215-811-7,1420-04-8,"2',5-dichloro-4'-nitrosalicylanilide",5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzenecarboximidic acid - propan-1-amine (1:1),Clc2cc(ccc2/N=C(\\O)c1cc(Cl)ccc1O)[N+]([O-])=O.CCCN,Clc2cc(ccc2/N=C(\O)c1cc(Cl)ccc1O)[N+]([O-])=O.CCCN,"InChI=1/C13H8Cl2N2O4.C3H9N/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-3-4/h1-6,18H,(H,16,19);2-4H2,1H3",C13H8Cl2N2O4.C2H7NO,,,,,,WAALPLDKIXSVDW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.879,225-167-9,4696-57-5,Barium dilaurate,barium didodecanoate,[Ba+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Ba,,,,,,RYTAZQLUNUCPFQ-UHFFFAOYSA-L,,,,,,,,,,,
100.013.645,215-009-7,1251-85-0,"4,4'-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one]","4,4'-methylenebis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)",CN1N(C(=O)C(=C1C)CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4,CN1N(C(=O)C(=C1C)CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4,"InChI=1/C23H24N4O2/c1-16-20(22(28)26(24(16)3)18-11-7-5-8-12-18)15-21-17(2)25(4)27(23(21)29)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3",C23H24N4O2,,,,,,QATHNKNPUVVKHK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.649,215-013-9,1255-35-2,"9-fluoro-11ß,17,21-trihydroxy-16-methylenepregna-1,4-diene-3,20-dione 21-acetate","9-fluoro-11,17-dihydroxy-16-methylene-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C24H29FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,17-19,28,30H,1,5-6,9,11-12H2,2-4H3",C24H29FO6,,,,,,DEFOZIFYUBUHHU-IYQKUMFPSA-N,,,,,,,,,,,
100.018.121,219-932-6,2577-48-2,Methyl L-prolinate,methyl L-prolinate,COC(=O)[C@@H]1CCCN1,COC(=O)[C@@H]1CCCN1,"InChI=1/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3",C6H11NO2,,,,,,BLWYXBNNBYXPPL-YFKPBYRVSA-N,,,,,,,,,,,
100.018.123,219-934-7,2577-90-4,Methyl 3-phenyl-L-alaninate,methyl L-phenylalaninate,COC(=O)[C@@H](N)Cc1ccccc1,COC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3",C10H13NO2,,,,,,VSDUZFOSJDMAFZ-VIFPVBQESA-N,,,,,,,,,,,
100.018.124,219-935-2,2577-94-8,Methyl L-argininate,methyl L-argininate,COC(=O)[C@@H](N)CCCNC(=N)N,COC(=O)[C@@H](N)CCCNC(=N)N,"InChI=1/C7H16N4O2/c1-13-6(12)5(8)3-2-4-11-7(9)10/h5H,2-4,8H2,1H3,(H4,9,10,11)",C7H16N4O2,,,,,,ZDLDXNCMJBOYJV-YFKPBYRVSA-N,,,,,,,,,,,
100.019.629,221-591-3,3153-36-4,Ethyl 4-chlorobutyrate,ethyl 4-chlorobutanoate,CCOC(=O)CCCCl,CCOC(=O)CCCCl,"InChI=1/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3",C6H11ClO2,,,,,,OPXNFHAILOHHFO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.636,221-599-7,3158-56-3,5-pentadecylresorcinol,"5-pentadecylbenzene-1,3-diol",CCCCCCCCCCCCCCCc1cc(O)cc(O)c1,CCCCCCCCCCCCCCCc1cc(O)cc(O)c1,"InChI=1/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3",C21H36O2,,,,,,KVVSCMOUFCNCGX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.644,221-607-9,3160-35-8,4-(4-hydroxyphenyl)but-3-en-2-one,4-(4-hydroxyphenyl)but-3-en-2-one,Oc1ccc(C=CC(C)=O)cc1,Oc1ccc(C=CC(C)=O)cc1,"InChI=1/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3",C10H10O2,,,,,,OCNIKEFATSKIBE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.645,221-608-4,3160-37-0,"4-(3,4-methylenedioxyphenyl)but-3-en-2-one","4-(1,3-benzodioxol-5-yl)but-3-en-2-one",CC(=O)C=Cc1ccc2OCOc2c1,CC(=O)C=Cc1ccc2OCOc2c1,"InChI=1/C11H10O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h2-6H,7H2,1H3",C11H10O3,,,,,,XIYPXOFSURQTTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.646,218-310-1,2114-18-3,2-chloroethyl carbamate,2-chloroethyl carbamate,NC(=O)OCCCl,NC(=O)OCCCl,"InChI=1/C3H6ClNO2/c4-1-2-7-3(5)6/h1-2H2,(H2,5,6)",C3H6ClNO2,,,,,,LIJLYNWYKULUHA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.649,218-313-8,2114-32-1,1-cyclohexyl-1-propyl acetate,1-cyclohexylpropyl acetate,CCC(OC(=O)C)C1CCCCC1,CCC(OC(=O)C)C1CCCCC1,"InChI=1/C11H20O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h10-11H,3-8H2,1-2H3",C11H20O2,,,,,,NGDJXKQCYPJVCL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.653,218-318-5,2116-62-3,2-(2-phenylethyl)pyridine,2-(2-phenylethyl)pyridine,C(Cc1ccccn1)c2ccccc2,C(Cc1ccccn1)c2ccccc2,"InChI=1/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-8,11H,9-10H2",C13H13N,,,,,,NIJWAAUHTPDGOM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.655,218-320-6,2116-84-9,"1,1,5,5,5-hexamethyl-3-phenyl-3-[(trimethylsilyl)oxy]trisiloxane","1,1,1,5,5,5-hexamethyl-3-phenyl-3-[(trimethylsilyl)oxy]trisiloxane",C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1ccccc1,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1ccccc1,"InChI=1/C15H32O3Si4/c1-19(2,3)16-22(17-20(4,5)6,18-21(7,8)9)15-13-11-10-12-14-15/h10-14H,1-9H3",C15H32O3Si4,,,,,,LINXHFKHZLOLEI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.663,218-329-5,2120-70-9,Phenoxyacetaldehyde,phenoxyacetaldehyde,O=CCOc1ccccc1,O=CCOc1ccccc1,"InChI=1/C8H8O2/c9-6-7-10-8-4-2-1-3-5-8/h1-6H,7H2",C8H8O2,,,,,,XFFILAFLGDUMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.669,218-335-8,2123-20-8,Heptatriacontan-19-one,heptatriacontan-19-one,CCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCC,"InChI=1/C37H74O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C37H74O,,,,,,KCNOEZOXGYXXQU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.676,218-343-1,9/03/2127,"2,2'-dithiodipyridine","2,2'-disulfanediyldipyridine",S(Sc1ccccn1)c2ccccn2,S(Sc1ccccn1)c2ccccn2,InChI=1/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H,C10H8N2S2,,,,,,HAXFWIACAGNFHA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.683,218-351-5,2130-99-6,p-nitrophenyl N-[(benzyloxy)carbonyl]-L-isoleucinate,4-nitrophenyl N-[(benzyloxy)carbonyl]-L-isoleucinate,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C20H22N2O6/c1-3-14(2)18(21-20(24)27-13-15-7-5-4-6-8-15)19(23)28-17-11-9-16(10-12-17)22(25)26/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)",C20H22N2O6,,,,,,NJDZCCJYUBNBMK-IBYPIGCZSA-N,,,,,,,,,,,
100.016.684,218-352-0,2131-18-2,Pentadecylbenzene,pentadecylbenzene,CCCCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCCCc1ccccc1,"InChI=1/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3",C21H36,,,,,,JIRNEODMTPGRGV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.687,218-355-7,2131-39-7,"1,3,5-trimethylnaphthalene","1,3,5-trimethylnaphthalene",Cc1cc(C)c2cccc(C)c2c1,Cc1cc(C)c2cccc(C)c2c1,"InChI=1/C13H14/c1-9-7-11(3)12-6-4-5-10(2)13(12)8-9/h4-8H,1-3H3",C13H14,,,,,,IJEBSXFVVHGNQF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.628,214-990-9,1245-13-2,"[2,2'-biquinoline]-4,4'-dicarboxylic acid","2,2'-biquinoline-4,4'-dicarboxylic acid",OC(=O)c1cc(nc2ccccc12)c3cc(C(=O)O)c4ccccc4n3,OC(=O)c1cc(nc2ccccc12)c3cc(C(=O)O)c4ccccc4n3,"InChI=1/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26)",C20H12N2O4,,,,,,AFYNADDZULBEJA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.630,214-993-5,1245-44-9,Propicillin potassium,"potassium 3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",[K+].CCC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-],[K+].CCC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-],"InChI=1/C18H22N2O5S.K/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);/q;+1/p-1",C18H22N2O5S.K,,,,,,ULBKMFLWMIGVOJ-CFXUUZMDSA-M,,,,,,,,,,,
100.013.632,214-995-6,1247-19-4,Diphenoxydiphenylsilane,diphenoxy(diphenyl)silane,O(c1ccccc1)[Si](Oc2ccccc2)(c3ccccc3)c4ccccc4,O(c1ccccc1)[Si](Oc2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20O2Si/c1-5-13-21(14-6-1)25-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)26-22-15-7-2-8-16-22/h1-20H",C24H20O2Si,,,,,,YLDKQPMORVEBRU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.634,214-997-7,1247-71-8,"3,16a-dihydroxyestra-1,3,5(10)-trien-17-one 3,16-diacetate","17-oxoestra-1,3,5(10)-triene-3,16-diyl diacetate",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]2(C)C1=O,CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]2(C)C1=O,"InChI=1/C22H26O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)19(18)11-20(21(22)25)27-13(2)24/h5,7,10,17-20H,4,6,8-9,11H2,1-3H3",C22H26O5,,,,,,QZQSENRWYLQIPC-JPVHLGFFSA-N,,,,,,,,,,,
100.013.636,214-999-8,1248-42-6,Methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride,methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate hydrochloride,Cl.COC(=O)c1ccccc1C(=O)c2ccc(OCCN3CCCCC3)cc2,Cl.COC(=O)c1ccccc1C(=O)c2ccc(OCCN3CCCCC3)cc2,"InChI=1/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H",C22H25NO4.ClH,,,,,,ZRFIFDFEDPJBII-UHFFFAOYSA-N,,,,,,,,,,,
100.013.637,215-000-8,1248-43-7,Benzyl octyl phthalate,benzyl octyl phthalate,CCCCCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,CCCCCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,"InChI=1/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3",C23H28O4,,,,,,WHHSHXMIKFVAEK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.642,215-006-0,1250-85-7,"9-fluoro-11ß,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate","9-fluoro-11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate",CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C23H27FO5/c1-13(25)29-12-19(27)18-7-6-16-17-5-4-14-10-15(26)8-9-22(14,3)23(17,24)20(28)11-21(16,18)2/h7-10,16-17,20,28H,4-6,11-12H2,1-3H3",C23H27FO5,,,,,,YVPGZUWNVLRAKT-XYNXPQAZSA-N,,,,,,,,,,,
100.023.748,226-122-6,5285-60-9,"4,4'-methylenebis[N-sec-butylaniline]","4,4'-methylenebis(N-sec-butylaniline)",CCC(C)Nc1ccc(Cc2ccc(NC(C)CC)cc2)cc1,CCC(C)Nc1ccc(Cc2ccc(NC(C)CC)cc2)cc1,"InChI=1/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3",C21H30N2,,,,,,YZZTZUHVGICSCS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.383,227-921-2,6037-49-6,"2-[(trimethoxysilyl)methyl]butane-1,4-diamine","2-[(trimethoxysilyl)methyl]butane-1,4-diamine",CO[Si](CC(CN)CCN)(OC)OC,CO[Si](CC(CN)CCN)(OC)OC,"InChI=1/C8H22N2O3Si/c1-11-14(12-2,13-3)7-8(6-10)4-5-9/h8H,4-7,9-10H2,1-3H3",C8H22N2O3Si,,,,,,HEXHLHNCJVXPNU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.391,227-930-1,6041-94-7,"4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide","4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthamide",Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O,Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O,"InChI=1/C23H15Cl2N3O2/c24-15-10-11-19(25)20(13-15)27-28-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)26-16-7-2-1-3-8-16/h1-13,29H,(H,26,30)",C23H15Cl2N3O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14806,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.391,HXJSTOXKASOAQW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.392,227-931-7,2/01/6043,Domazoline,"2-(3,6-dimethoxy-2,4-dimethylbenzyl)-4,5-dihydro-1H-imidazole",COc1cc(C)c(OC)c(C)c1CC2=NCCN2,COc1cc(C)c(OC)c(C)c1CC2=NCCN2,"InChI=1/C14H20N2O2/c1-9-7-12(17-3)11(10(2)14(9)18-4)8-13-15-5-6-16-13/h7H,5-6,8H2,1-4H3,(H,15,16)",C14H20N2O2,,,,,,IVSWFCVHTWYKEM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.395,227-934-3,6044-50-4,N-methyl-3-(triethoxysilyl)propylamine,N-methyl-3-(triethoxysilyl)propan-1-amine,CCO[Si](CCCNC)(OCC)OCC,CCO[Si](CCCNC)(OCC)OCC,"InChI=1/C10H25NO3Si/c1-5-12-15(13-6-2,14-7-3)10-8-9-11-4/h11H,5-10H2,1-4H3",C10H25NO3Si,,,,,,DTPZJXALAREFEY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.403,227-943-2,6047-69-4,o-(3-pentenyl)toluene,1-methyl-2-pent-3-en-1-ylbenzene,Cc1ccccc1CCC=CC,Cc1ccccc1CCC=CC,"InChI=1/C12H16/c1-3-4-5-9-12-10-7-6-8-11(12)2/h3-4,6-8,10H,5,9H2,1-2H3",C12H16,,,,,,NKEQCTWCOZGWSY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.410,227-951-6,6050-28-8,"N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine","N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine",CCN(CC)CCCNCCCN(CC)CC,CCN(CC)CCCNCCCN(CC)CC,"InChI=1/C14H33N3/c1-5-16(6-2)13-9-11-15-12-10-14-17(7-3)8-4/h15H,5-14H2,1-4H3",C14H33N3,,,,,,MUFLLFPHQQDPIW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.206,226-627-1,5/06/5441,"1,2,3,4-tetrahydronaphthalene-2-ethanol","2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol",OCCC1CCc2ccccc2C1,OCCC1CCc2ccccc2C1,"InChI=1/C12H16O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-4,10,13H,5-9H2",C12H16O,,,,,,SNGODQVIALHLFA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.207,226-628-7,5441-14-5,4-phenylsemicarbazide. hydrochloride,N-phenylhydrazinecarboxamide,NNC(=O)Nc1ccccc1,NNC(=O)Nc1ccccc1,"InChI=1/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)",C7H9N3O.ClH,,,,,,MOCKWYUCPREFCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.208,226-629-2,5441-51-0,4-ethylcyclohexanone,4-ethylcyclohexanone,CCC1CCC(=O)CC1,CCC1CCC(=O)CC1,"InChI=1/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3",C8H14O,,,,,,OKSDJGWHKXFVME-UHFFFAOYSA-N,,,,,,,,,,,
100.024.211,226-632-9,5442-00-2,2-cyclohexylpropan-1-ol,2-cyclohexylpropan-1-ol,CC(CO)C1CCCCC1,CC(CO)C1CCCCC1,"InChI=1/C9H18O/c1-8(7-10)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3",C9H18O,,,,,,IRIVQXLOJHCXIE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.218,226-640-2,5444-16-6,a-amino-ß-hydroxyfuran-2-propionic acid,3-(2-furyl)serine,NC(C(O)c1occc1)C(=O)O,NC(C(O)c1occc1)C(=O)O,"InChI=1/C7H9NO4/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)",C7H9NO4,,,,,,TXEGTYSYGFFYBY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.220,226-642-3,5445-17-0,Methyl 2-bromopropionate,methyl 2-bromopropanoate,COC(=O)C(C)Br,COC(=O)C(C)Br,"InChI=1/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3",C4H7BrO2,,,,,,ACEONLNNWKIPTM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.222,226-644-4,5445-22-7,Methyl 2-bromooctanoate,methyl 2-bromooctanoate,CCCCCCC(Br)C(=O)OC,CCCCCCC(Br)C(=O)OC,"InChI=1/C9H17BrO2/c1-3-4-5-6-7-8(10)9(11)12-2/h8H,3-7H2,1-2H3",C9H17BrO2,,,,,,RCMQQTUVWBXJQS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.227,226-650-7,5445-44-3,3-benzyloxy-DL-alanine,O-benzyl-L-serine,OC(=O)[C@@H](N)COCc1ccccc1,OC(=O)[C@@H](N)COCc1ccccc1,"InChI=1/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",C10H13NO3,,,,,,IDGQXGPQOGUGIX-VIFPVBQESA-N,,,,,,,,,,,
100.024.228,226-651-2,5445-51-2,"Cyclobutane-1,1-dicarboxylic acid","cyclobutane-1,1-dicarboxylic acid",OC(=O)C1(CCC1)C(=O)O,OC(=O)C1(CCC1)C(=O)O,"InChI=1/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)",C6H8O4,,,,,,CCQPAEQGAVNNIA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.230,226-653-3,5445-76-1,1-vinylcyclohexyl propionate,1-vinylcyclohexyl propionate,CCC(=O)OC1(CCCCC1)C=C,CCC(=O)OC1(CCCCC1)C=C,"InChI=1/C11H18O2/c1-3-10(12)13-11(4-2)8-6-5-7-9-11/h4H,2-3,5-9H2,1H3",C11H16O2,,,,,,KGTIWUFIPKHBSE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.233,226-657-5,6/02/5446,Methyl 4-methoxysalicylate,methyl 2-hydroxy-4-methoxybenzoate,COC(=O)c1ccc(OC)cc1O,COC(=O)c1ccc(OC)cc1O,"InChI=1/C9H10O4/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,10H,1-2H3",C9H10O4,,,,,,ZICRWXFGZCVTBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.837,230-620-9,7223-38-3,Dimethyl(prop-2-ynyl)amine,"N,N-dimethylprop-2-yn-1-amine",CN(C)CC#C,CN(C)CC#C,"InChI=1/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3",C5H9N,,,,,,ILBIXZPOMJFOJP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.840,230-624-0,7225-61-8,Sodium metrizoate,"sodium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate",[Na+].Ic1c(NC(C)=O)c(I)c(c(I)c1N(C)C(C)=O)C([O-])=O,[Na+].Ic1c(NC(C)=O)c(I)c(c(I)c1N(C)C(C)=O)C([O-])=O,"InChI=1/C12H11I3N2O4.Na/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h1-3H3,(H,16,18)(H,20,21);/q;+1/p-1",C12H11I3N2O4.Na,,,,,,UKIYDXCFKFLIMU-UHFFFAOYSA-M,,,,,,,,,,,
100.027.845,230-629-8,7/11/7228,"2,3-dibromoallyl alcohol","2,3-dibromoprop-2-en-1-ol",OC\\C(=C\\Br)\\Br,OC\C(=C\Br)\Br,"InChI=1/C3H4Br2O/c4-1-3(5)2-6/h1,6H,2H2",C3H4Br2O,,,,,,WMKYSVJWQJOFAN-IWQZZHSRSA-N,,,,,,,,,,,
100.027.846,230-630-3,7228-47-9,a-methylnaphthalene-2-methanol,1-(2-naphthyl)ethanol,CC(O)c1ccc2ccccc2c1,CC(O)c1ccc2ccccc2c1,"InChI=1/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3",C12H12O,,,,,,AXRKCRWZRKETCK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.852,230-637-1,7236-47-7,3-methyl-4-phenyl-3-butenamide,3-methyl-4-phenylbut-3-enamide,CC(=Cc1ccccc1)CC(N)=O,CC(=Cc1ccccc1)CC(N)=O,"InChI=1/C11H13NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)",C11H13NO,,,,,,KAJZGRFYZKWYDX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.855,230-640-8,7240-90-6,5-bromo-4-chloroindol-3-yl-ß-D-galactopyranoside,"3-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-olate (non-preferred name)",OC[C@H]1O[C@@H]([O-])[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H]([O-])[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@H]1O,"InChI=1/C14H14BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-13-12(20)11(19)8(4-18)23-14(13)21/h1-3,8,11-14,17-20H,4H2/q-1",C14H15BrClNO6,,,,,,VFKCDXJDSDJFQU-AEOCFKNESA-N,,,,,,,,,,,
100.027.857,230-642-9,7241-13-6,Sulphonylbis[tribromomethane],bis(tribromomethyl) sulfone,BrC(Br)(Br)S(=O)(=O)C(Br)(Br)Br,BrC(Br)(Br)S(=O)(=O)C(Br)(Br)Br,"InChI=1/C2Br6O2S/c3-1(4,5)11(9,10)2(6,7)8",C2Br6O2S,,,,,,CNCAHWAKBQIUMY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.654,215-019-1,1257-78-9,"Ethane-1,2-disulphonic acid, compound with 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine (1:1)","ethane-1,2-disulfonic acid - 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine (1:1)",CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.OS(=O)(=O)CCS(=O)(=O)O,CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.OS(=O)(=O)CCS(=O)(=O)O,"InChI=1/C20H24ClN3S.C2H6O6S2/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;3-9(4,5)1-2-10(6,7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)",C20H24ClN3S.C2H6O6S2,,,,,,SWOUGRBFXFILIB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.659,215-024-9,1260-35-1,Methyl N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-({3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}imino)dipropanoate (non-preferred name)",Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC(=O)OC)CCC(=O)OC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC(=O)OC)CCC(=O)OC)[N+]([O-])=O,"InChI=1/C22H24ClN5O7/c1-14(29)24-20-13-15(27(10-8-21(30)34-2)11-9-22(31)35-3)4-7-19(20)26-25-18-6-5-16(28(32)33)12-17(18)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)",C22H24ClN5O7,,,,,,FLXMHYAPIQKKCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.666,215-032-2,1264-32-0,"Disodium 4,4'-bis[[6-anilino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(6-anilino-4-oxo-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].[O-]S(=O)(=O)c1cc(NC2=NC(=O)N=C(Nc3ccccc3)N2)ccc1\\C=C\\c4ccc(NC5=NC(=O)N=C(Nc6ccccc6)N5)cc4S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cc(NC2=NC(=O)N=C(Nc3ccccc3)N2)ccc1\C=C\c4ccc(NC5=NC(=O)N=C(Nc6ccccc6)N5)cc4S(=O)(=O)[O-],"InChI=1/C32H26N10O8S2.2Na/c43-31-39-27(33-21-7-3-1-4-8-21)37-29(41-31)35-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)36-30-38-28(40-32(44)42-30)34-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H3,33,35,37,39,41,43)(H3,34,36,38,40,42,44);;/q;2*+1/p-2",C32H26N10O8S2.2Na,,,,,,YUZILKLGVPUFOT-YHPRVSEPSA-L,,,,,,,,,,,
100.013.667,215-033-8,1264-62-6,Erythromycin ethyl succinate,"4-(dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-6-methyltetrahydro-2H-pyran-3-yl ethyl succinate (non-preferred name)",CCOC(=O)CCC(=O)O[C@@H]3[C@H](C[C@@H](C)O[C@H]3O[C@H]2[C@H](C)[C@@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]2(C)O)N(C)C,CCOC(=O)CCC(=O)O[C@@H]3[C@H](C[C@@H](C)O[C@H]3O[C@H]2[C@H](C)[C@@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]2(C)O)N(C)C,"InChI=1/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3",C43H75NO16,,,,,,NSYZCCDSJNWWJL-XJHUJGFMSA-N,,,,,,,,,,,
100.013.669,215-035-9,1271-19-8,Dichlorobis(<U+03B7>-cyclopentadienyl)titanium,"dicyclopenta-1,3-dien-1-yltitanium(2+) dichloride",[Cl-].[Cl-].C1C=CC=C1[Ti+2]C2=CC=CC2,[Cl-].[Cl-].C1C=CC=C1[Ti+2]C2=CC=CC2,"InChI=1/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q;;;;+2/p-2/rC10H10Ti.2ClH/c1-2-6-9(5-1)11-10-7-3-4-8-10;;/h1-5,7H,6,8H2;2*1H/q+2;;/p-2",C10H10Cl2Ti,,,,,,HNUKMDPEDCSDKO-UHFFFAOYSA-L,,,,,,,,,,,
100.013.670,215-036-4,1271-24-5,"Bis(<U+03B7>5-cyclopenta-2,4-dien-1-yl)chromium","chromium(2+) dicyclopenta-2,4-dienide",[Cr+2].[CH-]1C=CC=C1.[CH-]2C=CC=C2,[Cr+2].[CH-]1C=CC=C1.[CH-]2C=CC=C2,InChI=1/2C5H5.Cr/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2,C10H10Cr,,,,,,TYYBBNOTQFVVKN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.671,215-038-5,1271-27-8,"Dicyclopenta-2,4-dien-1-ylmanganese",manganocene,C1=CC(C=C1)[Mn]C2C=CC=C2,C1=CC(C=C1)[Mn]C2C=CC=C2,InChI=1/2C5H5.Mn/c2*1-2-4-5-3-1;/h2*1-5H;/rC10H10Mn/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1-10H,C10H10Mn,,,,,,QROCSKKOEBOLQO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.672,215-039-0,1271-28-9,"Bis(<U+03B7>5-2,4-cyclopentadien-1-yl)nickel","nickel(2+) dicyclopenta-2,4-dienide",[Ni+2].[CH-]1C=CC=C1.[CH-]2C=CC=C2,[Ni+2].[CH-]1C=CC=C1.[CH-]2C=CC=C2,InChI=1/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2,C10H10Ni,,,,,,KZPXREABEBSAQM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.692,215-061-0,1277-43-6,Cobaltocene,"cobalt(2+) dicyclopenta-2,4-dienide",[Co+2].[CH-]1C=CC=C1.[CH-]2C=CC=C2,[Co+2].[CH-]1C=CC=C1.[CH-]2C=CC=C2,InChI=1/2C5H5.Co/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2,C10H10Co,,,,,,ILZSSCVGGYJLOG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.428,227-971-5,6054-80-4,"Sodium 3-[(2,4-diaminophenyl)azo]-4-hydroxybenzenesulphonate","sodium 3-[(2,4-diaminophenyl)diazenyl]-4-hydroxybenzenesulfonate",[Na+].Oc2ccc(cc2N=Nc1ccc(N)cc1N)S([O-])(=O)=O,[Na+].Oc2ccc(cc2N=Nc1ccc(N)cc1N)S([O-])(=O)=O,"InChI=1/C12H12N4O4S.Na/c13-7-1-3-10(9(14)5-7)15-16-11-6-8(21(18,19)20)2-4-12(11)17;/h1-6,17H,13-14H2,(H,18,19,20);/q;+1/p-1",C12H12N4O4S.Na,,,,,,UIDYZUQMPXFGED-UHFFFAOYSA-M,,,,,,,,,,,
100.025.432,227-975-7,6054-98-4,"Disodium 5,5'-azodisalicylate","disodium 3,3'-diazene-1,2-diylbis(6-hydroxybenzoate)",[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2cc(C([O-])=O)c(O)cc2,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2cc(C([O-])=O)c(O)cc2,"InChI=1/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2",C14H10N2O6.2Na,,,,,,ZJEFYLVGGFISGT-UHFFFAOYSA-L,,,,,,,,,,,
100.016.689,218-357-8,2131-42-2,"1,4,6-trimethylnaphthalene","1,4,6-trimethylnaphthalene",Cc1ccc2c(C)ccc(C)c2c1,Cc1ccc2c(C)ccc(C)c2c1,"InChI=1/C13H14/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h4-8H,1-3H3",C13H14,,,,,,VGKRZAKNKJAKDN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.690,218-358-3,2131-55-7,1-chloro-4-isothiocyanatobenzene,1-chloro-4-isothiocyanatobenzene,Clc1ccc(cc1)N=C=S,Clc1ccc(cc1)N=C=S,InChI=1/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,C7H4ClNS,,,,,,MZZVFXMTZTVUFO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.995,217-593-9,1899-36-1,"Sodium 2,3-dichloro-2-methylpropionate","sodium 2,3-dichloro-2-methylpropanoate",[Na+].CC(Cl)(CCl)C(=O)[O-],[Na+].CC(Cl)(CCl)C(=O)[O-],"InChI=1/C4H6Cl2O2.Na/c1-4(6,2-5)3(7)8;/h2H2,1H3,(H,7,8);/q;+1/p-1",C4H6Cl2O2.Na,,,,,,WESJNFANGQJVKA-UHFFFAOYSA-M,,,,,,,,,,,
100.015.997,217-596-5,1899-94-1,m-toluenesulphonamide,3-methylbenzenesulfonamide,Cc1cccc(c1)S(=O)(=O)N,Cc1cccc(c1)S(=O)(=O)N,"InChI=1/C7H9NO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",C7H9NO2S,,,,,,NVZINPVISUVPHW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.000,217-599-1,1901-26-4,3-methyl-4-phenyl-3-buten-2-one,3-methyl-4-phenylbut-3-en-2-one,CC(=Cc1ccccc1)C(C)=O,CC(=Cc1ccccc1)C(C)=O,"InChI=1/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3",C11H12O,,,,,,BQJFBHBDOAIIGS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.003,217-602-6,1903-22-6,Ethyl cyclopentylideneacetate,ethyl cyclopentylideneacetate,CCOC(=O)C=C1CCCC1,CCOC(=O)C=C1CCCC1,"InChI=1/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h7H,2-6H2,1H3",C9H14O2,,,,,,TXXWSOKUXUMWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.006,217-605-2,1904-98-9,"Purine-2,6-diyldiamine","9H-purine-2,6-diamine",Nc1nc(N)c2nc[nH]c2n1,Nc1nc(N)c2nc[nH]c2n1,"InChI=1/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)",C5H6N6,,,,,,MSSXOMSJDRHRMC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.013,217-613-6,8/11/1908,Cholest-5-en-3-ß-yl laurate,cholest-5-en-3-yl laurate,CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3",C39H68O2,,,,,,RMLFYKFCGMSLTB-ZBDFTZOCSA-N,,,,,,,,,,,
100.016.020,217-620-4,1912-32-9,Butyl methanesulphonate,butyl methanesulfonate,CCCCOS(=O)(=O)C,CCCCOS(=O)(=O)C,"InChI=1/C5H12O3S/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3",C5H12O3S,,,,,,LFLBHTZRLVHUQC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.027,217-628-8,1914-99-4,"3,6-bis[(4-chloro-2-phosphonophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid","3,6-bis[(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid",Clc4cc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(Cl)cc1P(O)(=O)O)c(O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)cc4)P(O)(O)=O,Clc4cc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(Cl)cc1P(O)(=O)O)c(O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)cc4)P(O)(O)=O,"InChI=1/C22H16Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)",C22H16Cl2N4O14P2S2,,,,,,LMBABJNSZGKTBA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.028,217-629-3,1916-07-0,"Methyl 3,4,5-trimethoxybenzoate","methyl 3,4,5-trimethoxybenzoate",COC(=O)c1cc(OC)c(OC)c(OC)c1,COC(=O)c1cc(OC)c(OC)c(OC)c1,"InChI=1/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3",C11H14O5,,,,,,KACHFMOHOPLTNX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.029,217-630-9,1/08/1916,"3-hydroxy-4,5-dimethoxybenzoic acid","3-hydroxy-4,5-dimethoxybenzoic acid",COc1cc(cc(O)c1OC)C(=O)O,COc1cc(cc(O)c1OC)C(=O)O,"InChI=1/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)",C9H10O5,,,,,,WFIBQVFJXGQICQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.034,217-636-1,1/02/1918,"4-amino-3,5,6-trichloropyridine-2-carboxylic acid","4-amino-3,5,6-trichloropyridine-2-carboxylic acid",Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,"InChI=1/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)",C6H3Cl3N2O2,,,,,,NQQVFXUMIDALNH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.040,217-642-4,1919-43-3,"2,3-dichloroquinoxaline-6-carbonyl chloride","2,3-dichloroquinoxaline-6-carbonyl chloride",ClC(=O)c1ccc2nc(Cl)c(Cl)nc2c1,ClC(=O)c1ccc2nc(Cl)c(Cl)nc2c1,InChI=1/C9H3Cl3N2O/c10-7-8(11)14-6-3-4(9(12)15)1-2-5(6)13-7/h1-3H,C9H3Cl3N2O,,,,,,NGCRLFIYVFOUMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.042,217-645-0,1919-91-1,6-bromo-3-(o-hydroxyphenylaminocarbonyl)-2-naphthyl phosphate,tris{6-bromo-3-[(2-hydroxyphenyl)carbamoyl]-2-naphthyl} phosphate,Oc1ccccc1NC(=O)c2cc3cc(Br)ccc3cc2OP(=O)(Oc4cc5ccc(Br)cc5cc4C(=O)Nc6ccccc6O)Oc7cc8ccc(Br)cc8cc7C(=O)Nc9ccccc9O,Oc1ccccc1NC(=O)c2cc3cc(Br)ccc3cc2OP(=O)(Oc4cc5ccc(Br)cc5cc4C(=O)Nc6ccccc6O)Oc7cc8ccc(Br)cc8cc7C(=O)Nc9ccccc9O,"InChI=1/C51H33Br3N3O10P/c52-34-16-13-28-25-46(37(22-31(28)19-34)49(61)55-40-7-1-4-10-43(40)58)65-68(64,66-47-26-29-14-17-35(53)20-32(29)23-38(47)50(62)56-41-8-2-5-11-44(41)59)67-48-27-30-15-18-36(54)21-33(30)24-39(48)51(63)57-42-9-3-6-12-45(42)60/h1-27,58-60H,(H,55,61)(H,56,62)(H,57,63)",C18H15BrNO6P,,,,,,BWMGORQCRYDYTR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.222,223-342-4,3845-76-9,N-[3-(dimethylamino)propyl]acrylamide,N-[3-(dimethylamino)propyl]acrylamide,CN(C)CCCNC(=O)C=C,CN(C)CCCNC(=O)C=C,"InChI=1/C8H16N2O/c1-4-8(11)9-6-5-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11)",C8H16N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11356,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.222,ADTJPOBHAXXXFS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.413,227-954-2,6051-00-9,2-cyclohexylbutyric acid,2-cyclohexylbutanoic acid,CCC(C1CCCCC1)C(=O)O,CCC(C1CCCCC1)C(=O)O,"InChI=1/C10H18O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)",C10H18O2,,,,,,RPXFDOOFVNTCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.415,227-956-3,6051-13-4,2-cyclohexylpropionic acid,2-cyclohexylpropanoic acid,CC(C1CCCCC1)C(=O)O,CC(C1CCCCC1)C(=O)O,"InChI=1/C9H16O2/c1-7(9(10)11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,10,11)",C9H16O2,,,,,,VRLUSLNMNQAPOH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.542,215-995-9,1468-40-2,"3-[(2-hydroxyethyl)thio]propane-1,2-diol","3-[(2-hydroxyethyl)sulfanyl]propane-1,2-diol",OCCSCC(O)CO,OCCSCC(O)CO,"InChI=1/C5H12O3S/c6-1-2-9-4-5(8)3-7/h5-8H,1-4H2",C5H12O3S,,,,,,RFEMNKMKESLWMT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.544,215-998-5,1468-95-7,9-anthracenemethanol,9-anthrylmethanol,OCc1c2ccccc2cc3ccccc13,OCc1c2ccccc2cc3ccccc13,"InChI=1/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2",C15H12O,,,,,,JCJNNHDZTLRSGN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.545,215-999-0,1469-48-3,"cis-1,2,3,6-tetrahydrophthalimide","3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",O=C1NC(=O)[C@H]2CC=CC[C@@H]12,O=C1NC(=O)[C@H]2CC=CC[C@@H]12,"InChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)",C8H9NO2,,,,,,CIFFBTOJCKSRJY-OLQVQODUSA-N,,,,,,,,,,,
100.014.554,216-008-4,1471-17-6,"3-(allyloxy)-2,2-bis[(allyloxy)methyl]propanol","3-(allyloxy)-2,2-bis[(allyloxy)methyl]propan-1-ol",OCC(COCC=C)(COCC=C)COCC=C,OCC(COCC=C)(COCC=C)COCC=C,"InChI=1/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2",C14H24O4,,,,,,FYRWKWGEFZTOQI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.560,216-015-2,1474-10-8,"3-ß,17-a,21-trihydroxypregn-5-en-20-one 21-acetate","3,17-dihydroxy-20-oxopregn-5-en-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h4,16-19,25,27H,5-13H2,1-3H3",C23H34O5,,,,,,PIGIYBRGSJKHQI-ZGIWMXSJSA-N,,,,,,,,,,,
100.014.576,216-033-0,1477-57-2,"N,N'-octamethylenebis(dichloroacetamide)","N,N'-octane-1,8-diylbis(2,2-dichloroacetamide)",ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl,ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl,"InChI=1/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)",C12H20Cl4N2O2,,,,,,FAOMZVDZARKPFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.577,216-034-6,1477-63-0,(±)-3-hydroxy-a-[(methylamino)methyl]benzyl alcohol,3-[1-hydroxy-2-(methylamino)ethyl]phenol,CNCC(O)c1cccc(O)c1,CNCC(O)c1cccc(O)c1,"InChI=1/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3",C9H13NO2,,,,,,SONNWYBIRXJNDC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.581,216-038-8,1480-19-9,Fluanisone,1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one,COc1ccccc1N2CCN(CCCC(=O)c3ccc(F)cc3)CC2,COc1ccccc1N2CCN(CCCC(=O)c3ccc(F)cc3)CC2,"InChI=1/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3",C21H25FN2O2,,,,,,IRYFCWPNDIUQOW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.588,216-046-1,1483-07-4,L-(-)2-amino-3-ureidopropionic acid,3-(carbamoylamino)alanine,NC(CNC(=O)N)C(=O)O,NC(CNC(=O)N)C(=O)O,"InChI=1/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)",C4H9N3O3,,,,,,GZYFIMLSHBLMKF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.352,215-787-8,1405-89-6,Bacitracin zinc,-,[Zn+2].CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)C(C)CC,[Zn+2].CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)C(C)CC,"InChI=1/C66H103N17O16S.Zn/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88);/q;+2",-,,,,,,UCRLQOPRDMGYOA-BSTANPPRSA-N,,,,,,,,,,,
100.014.362,215-798-8,1406-18-4,Vitamin E,"2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1,"InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3",-,,,,,,GVJHHUAWPYXKBD-IEOSBIPESA-N,,,,,,,,,,,
100.022.875,225-163-7,4696-48-4,(2-hydroxyethyl)ammonium hexadecyl sulphate,2-hydroxyethanaminium hexadecyl sulfate,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C16H34O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;3-1-2-4/h2-16H2,1H3,(H,17,18,19);4H,1-3H2",C16H34O4S.C2H7NO,,,,,,IEGAQNKVGMLBBS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.859,230-645-5,8/04/7242,Pengitoxin,"16-acetoxy-3-{[3,4-di-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O[C@H]2C[C@H](OC(=O)C)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](C)O3)[C@@H](C)O2)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@H](C[C@]67O)OC(=O)C)C8=CC(=O)OC8)C4,C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O[C@H]2C[C@H](OC(=O)C)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](C)O3)[C@@H](C)O2)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@H](C[C@]67O)OC(=O)C)C8=CC(=O)OC8)C4,"InChI=1/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3",C51H74O19,,,,,,JDYLJSDIEBHXPO-ALNZGLKXSA-N,,,,,,,,,,,
100.027.867,230-653-9,7246-21-1,Sodium tyropanoate,"sodium 2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butanoate",[Na+].CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I,[Na+].CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I,"InChI=1/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1",C15H18I3NO3.Na,,,,,,KTVKGXZZBQCBGD-UHFFFAOYSA-M,,,,,,,,,,,
100.027.870,230-657-0,7248-45-5,Disodium 5-[[4-[[[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]salicylate,disodium 2-hydroxy-5-({4-[({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)benzoate,[Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(N=Nc1cc(C([O-])=O)c(O)cc1)cc2)N=Nc4cccc(c4)S([O-])(=O)=O,[Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(N=Nc1cc(C([O-])=O)c(O)cc1)cc2)N=Nc4cccc(c4)S([O-])(=O)=O,"InChI=1/C27H22N6O8S.2Na/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36;;/h2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40);;/q;2*+1/p-2",C27H22N6O8S.2Na,,,,,,PBOIUUROGJVVNC-UHFFFAOYSA-L,,,,,,,,,,,
100.027.872,230-659-1,7250-18-2,Benzyl dimethyldithiocarbamate,benzyl dimethyldithiocarbamate,CN(C)C(=S)SCc1ccccc1,CN(C)C(=S)SCc1ccccc1,"InChI=1/C10H13NS2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",C10H13NS2,,,,,,HLZBIKHKXIJIHX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.591,227-049-2,8/07/5619,Methyl 3-phenyl-DL-alaninate hydrochloride,methyl L-phenylalaninate hydrochloride,Cl.COC(=O)[C@@H](N)Cc1ccccc1,Cl.COC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H",C10H13NO2.ClH,,,,,,SWVMLNPDTIFDDY-FVGYRXGTSA-N,,,,,,,,,,,
100.024.592,227-050-8,5621-86-3,"2',5-dichloro-2-(methylamino)benzophenone",[5-chloro-2-(methylamino)phenyl](2-chlorophenyl)methanone,CNc1ccc(Cl)cc1C(=O)c2ccccc2Cl,CNc1ccc(Cl)cc1C(=O)c2ccccc2Cl,"InChI=1/C14H11Cl2NO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8,17H,1H3",C14H11Cl2NO,,,,,,DQYHYPVCQHTLRO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.596,227-055-5,5624-13-5,5-oxo-1-phenyl-2-thioxoimidazolidine-4-acetic acid,(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetic acid,OC(=O)CC1NC(=S)N(C1=O)c2ccccc2,OC(=O)CC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C11H10N2O3S/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15)",C11H10N2O3S,,,,,,NFUCNAREVSTFNC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.599,227-058-1,5625-46-7,"3,6-dimethylpiperazine-2,5-dione","3,6-dimethylpiperazine-2,5-dione",CC1NC(=O)C(C)NC1=O,CC1NC(=O)C(C)NC1=O,"InChI=1/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)",C6H10N2O2,,,,,,WWISPHBAYBECQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.600,227-059-7,5625-56-9,"Piperazine-1,4-dipropanesulphonic acid","3,3'-piperazine-1,4-diyldipropane-1-sulfonic acid",OS(=O)(=O)CCCN1CCN(CCCS(=O)(=O)O)CC1,OS(=O)(=O)CCCN1CCN(CCCS(=O)(=O)O)CC1,"InChI=1/C10H22N2O6S2/c13-19(14,15)9-1-3-11-5-7-12(8-6-11)4-2-10-20(16,17)18/h1-10H2,(H,13,14,15)(H,16,17,18)",C10H22N2O6S2,,,,,,PDLPTSJWDUCMKS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.603,227-062-3,5625-90-1,"N,N'-methylenebismorpholine","4,4'-methylenedimorpholine",C(N1CCOCC1)N2CCOCC2,C(N1CCOCC1)N2CCOCC2,InChI=1/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2,C9H18N2O2,,,,,,MIFZZKZNMWTHJK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.606,227-066-5,5626-64-2,"Tetrahydro-1H,3H-pyrrolo[1,2-c]oxazole-1,3-dione","tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-1,3-dione",O=C1OC(=O)N2CCCC12,O=C1OC(=O)N2CCCC12,"InChI=1/C6H7NO3/c8-5-4-2-1-3-7(4)6(9)10-5/h4H,1-3H2",C6H7NO3,,,,,,JNWNBXNPBSVNMU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.607,227-067-0,5626-90-4,N-[[4-(acetylamino)phenyl]sulphonyl]acetamide,N-[(4-acetamidophenyl)sulfonyl]acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)C,CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)C,"InChI=1/C10H12N2O4S/c1-7(13)11-9-3-5-10(6-4-9)17(15,16)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)",C10H12N2O4S,,,,,,YTJJPFRVBNFIBN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.610,227-070-7,5631-35-6,"1-[4,4-bis(4-fluorophenyl)butyl]piperazine","1-[4,4-bis(4-fluorophenyl)butyl]piperazine",Fc1ccc(cc1)C(CCCN2CCNCC2)c3ccc(F)cc3,Fc1ccc(cc1)C(CCCN2CCNCC2)c3ccc(F)cc3,"InChI=1/C20H24F2N2/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24/h3-10,20,23H,1-2,11-15H2",C20H24F2N2,,,,,,XMRZXPIHMZRNQC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.614,227-074-9,5633-74-9,N-amidinooctanamide,N-carbamimidoyloctanamide,CCCCCCCC(=O)NC(=N)N,CCCCCCCC(=O)NC(=N)N,"InChI=1/C9H19N3O/c1-2-3-4-5-6-7-8(13)12-9(10)11/h2-7H2,1H3,(H4,10,11,12,13)",C9H19N3O,,,,,,ZHCWNUYIITXNFR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.433,227-976-2,6054-99-5,Disodium 5-(p-sulphophenylazo)salicylate,disodium 5-(p-sulphophenylazo)salicylate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)S(O)(=O)=O.OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c(c2)C([O-])=O,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)S(O)(=O)=O.OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c(c2)C([O-])=O,"InChI=1/2C13H10N2O6S.2Na/c2*16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21;;/h2*1-7,16H,(H,17,18)(H,19,20,21);;/q;;2*+1/p-2",C13H10N2O6S.2Na,,,,,,LSBGBIDBYAUYNL-UHFFFAOYSA-L,,,,,,,,,,,
100.025.439,227-983-0,6056-35-5,Norborn-5-en-2-yl phenyl ketone,bicyclo[2.2.1]hept-5-en-2-yl(phenyl)methanone,O=C(C1CC2CC1C=C2)c3ccccc3,O=C(C1CC2CC1C=C2)c3ccccc3,"InChI=1/C14H14O/c15-14(11-4-2-1-3-5-11)13-9-10-6-7-12(13)8-10/h1-7,10,12-13H,8-9H2",C14H14O,,,,,,RMHYEJKELLBHSV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.441,227-985-1,6056-53-7,[(phenylmethyl)imino]bis(methylene)]bisphosphonic acid,[(benzylimino)bis(methylene)]bis(phosphonic acid),OP(=O)(O)CN(Cc1ccccc1)CP(=O)(O)O,OP(=O)(O)CN(Cc1ccccc1)CP(=O)(O)O,"InChI=1/C9H15NO6P2/c11-17(12,13)7-10(8-18(14,15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,12,13)(H2,14,15,16)",C9H15NO6P2,,,,,,OWIOSXILXLIEGX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.445,227-989-3,6062-26-6,Sodium 4-(4-chloro-o-tolyloxy)butyrate,sodium 4-(4-chloro-2-methylphenoxy)butanoate,[Na+].Cc1cc(Cl)ccc1OCCCC(=O)[O-],[Na+].Cc1cc(Cl)ccc1OCCCC(=O)[O-],"InChI=1/C11H13ClO3.Na/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;/h4-5,7H,2-3,6H2,1H3,(H,13,14);/q;+1/p-1",C11H13ClO3.Na,,,,,,GABUSZPTCJGKGB-UHFFFAOYSA-M,,,,,,,,,,,
100.025.448,227-993-5,6064-83-1,Fosfosal,2-(phosphonooxy)benzoic acid,OC(=O)c1ccccc1OP(=O)(O)O,OC(=O)c1ccccc1OP(=O)(O)O,"InChI=1/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)",C7H7O6P,,,,,,FFKUDWZICMJVPA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.449,227-994-0,6064-90-0,Methyl henicosaneate,methyl henicosanoate,CCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3",C22H44O2,,,,,,AJRICDSAJQHDSD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.453,227-998-2,6065-63-0,Diethyl dipropylmalonate,diethyl dipropylmalonate,CCCC(CCC)(C(=O)OCC)C(=O)OCC,CCCC(CCC)(C(=O)OCC)C(=O)OCC,"InChI=1/C13H24O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3",C13H24O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6527,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.453,NNDOHYGFLASMFR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.457,228-002-9,6067-34-1,Diterbium tricarbonate,diterbium tricarbonate,[Tb+3].[Tb+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Tb+3].[Tb+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Tb/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Tb,,,,,,LMEHHJBYKPTNLM-UHFFFAOYSA-H,,,,,,,,,,,
100.025.461,228-007-6,6070-16-2,"(1ß,2a,4a)-p-menth-2-yl hexanoate",2-isopropyl-5-methylcyclohexyl hexanoate,CCCCCC(=O)OC1CC(C)CCC1C(C)C,CCCCCC(=O)OC1CC(C)CCC1C(C)C,"InChI=1/C16H30O2/c1-5-6-7-8-16(17)18-15-11-13(4)9-10-14(15)12(2)3/h12-15H,5-11H2,1-4H3",C16H30O2,,,,,,VDXDHXCHHMIDPX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.462,228-008-1,6070-18-4,"(1a,2ß,5a)-5-methyl-2-(1-methylethyl)cyclohexyl oleate",2-isopropyl-5-methylcyclohexyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,"InChI=1/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-27-23-25(4)21-22-26(27)24(2)3/h12-13,24-27H,5-11,14-23H2,1-4H3",C28H52O2,,,,,,KSXDYSUCRAXJBC-IYCLMPOZSA-N,,,,,,,,,,,
100.025.463,228-009-7,6072-22-6,"a,a-diphenylpyrrolidine-1-propanol","1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol",OC(CCN1CCCC1)(c2ccccc2)c3ccccc3,OC(CCN1CCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C19H23NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1-6,9-12,21H,7-8,13-16H2",C19H23NO,,,,,,KSWXNEXJRXELBA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.464,228-010-2,6074-84-6,Tantalum(5+) ethanolate,tantalum(5+) pentaethanolate,[Ta+5].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-],[Ta+5].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-],"InChI=1/5C2H5O.Ta/c5*1-2-3;/h5*2H2,1H3;/q5*-1;+5",C2H6O.1/5Ta,,,,,,HSXKFDGTKKAEHL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.592,216-050-3,1483-73-4,Diphenyliodonium bromide,diphenyliodonium bromide,[Br-].[I+](c1ccccc1)c2ccccc2,[Br-].[I+](c1ccccc1)c2ccccc2,InChI=1/C12H10I.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1,C12H10I.Br,,,,,,LGPSGXJFQQZYMS-UHFFFAOYSA-M,,,,,,,,,,,
100.014.598,216-057-1,1484-50-0,"2-bromo-1,2-diphenylethan-1-one","2-bromo-1,2-diphenylethanone",BrC(C(=O)c1ccccc1)c2ccccc2,BrC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H",C14H11BrO,,,,,,ZFFBIQMNKOJDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.602,216-061-3,1485-07-0,Naphthalen-2-ethanol,2-(2-naphthyl)ethanol,OCCc1ccc2ccccc2c1,OCCc1ccc2ccccc2c1,"InChI=1/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2",C12H12O,,,,,,VCZANYLMPFRUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.606,216-066-0,1486-51-7,p-(benzyloxy)benzoic acid,4-(benzyloxy)benzoic acid,OC(=O)c1ccc(OCc2ccccc2)cc1,OC(=O)c1ccc(OCc2ccccc2)cc1,"InChI=1/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)",C14H12O3,,,,,,AQSCHALQLXXKKC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.225,223-346-6,3846-71-7,"2-benzotriazol-2-yl-4,6-di-tert-butylphenol","2-(2H-benzotriazol-2-yl)-4,6-di-tert-butylphenol",CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)n2nc3ccccc3n2,CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)n2nc3ccccc3n2,"InChI=1/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3",C20H25N3O,,,,,,LHPPDQUVECZQSW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.230,223-351-3,3849-21-6,Ethyl cyano(hydroxyimino)acetate,ethyl cyano(hydroxyimino)acetate,N#CC(=NO)C(=O)OCC,N#CC(=NO)C(=O)OCC,"InChI=1/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3",C5H6N2O3,,,,,,LCFXLZAXGXOXAP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.232,223-353-4,3850-30-4,"1,2,2-trimethylpropylamine","3,3-dimethylbutan-2-amine",CC(N)C(C)(C)C,CC(N)C(C)(C)C,"InChI=1/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3",C6H15N,,,,,,DXSUORGKJZADET-UHFFFAOYSA-N,,,,,,,,,,,
100.021.233,223-355-5,3851-22-7,Zinc diethanolate,zinc diethanolate,[Zn+2].CC[O-].CC[O-],[Zn+2].CC[O-].CC[O-],"InChI=1/2C2H5O.Zn/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2",C2H6O.1/2Zn,,,,,,WXKZSTUKHWTJCF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.241,223-363-9,1/05/3856,"Isobutyl 3,4,5-trihydroxybenzoate","isobutyl 3,4,5-trihydroxybenzoate",CC(C)COC(=O)c1cc(O)c(O)c(O)c1,CC(C)COC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C11H14O5/c1-6(2)5-16-11(15)7-3-8(12)10(14)9(13)4-7/h3-4,6,12-14H,5H2,1-2H3",C11H14O5,,,,,,UCLHVCFKZSLALE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.246,223-369-1,3858-78-4,Butylammonium chloride,butan-1-aminium chloride,[Cl-].CCCC[NH3+],[Cl-].CCCC[NH3+],"InChI=1/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H",C4H11N.ClH,,,,,,ICXXXLGATNSZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.252,217-876-7,1996-41-4,2-chloro-4-fluorophenol,2-chloro-4-fluorophenol,Oc1ccc(F)cc1Cl,Oc1ccc(F)cc1Cl,"InChI=1/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H",C6H4ClFO,,,,,,IGYXYGDEYHNFFT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.255,217-879-3,1997-73-5,"9-bromo-6a-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","9-bromo-6-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H30BrFO6/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-21(17,3)23(16,25)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3",C24H30BrFO6,,,,,,QAEVJNCCRJTPEE-OSNGSNEUSA-N,,,,,,,,,,,
100.016.258,217-883-5,1999-34-4,N-glycyl-DL-methionine,glycyl-L-methionine,O=C(N[C@@H](CCSC)C(O)=O)CN,O=C(N[C@@H](CCSC)C(O)=O)CN,"InChI=1/C7H14N2O3S/c1-13-3-2-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)",C7H14N2O3S,,,,,,PFMUCCYYAAFKTH-YFKPBYRVSA-N,,,,,,,,,,,
100.016.261,217-886-1,1999-85-5,"a,a,a',a'-tetramethyl-m-xylene-a,a'-diol","2,2'-(1,3-phenylene)dipropan-2-ol",CC(C)(O)c1cccc(c1)C(C)(C)O,CC(C)(O)c1cccc(c1)C(C)(C)O,"InChI=1/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3",C12H18O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5920,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.261,UGPWRRVOLLMHSC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.265,217-890-3,2001-45-8,Tetraphenylphosphonium chloride,tetraphenylphosphonium chloride,[Cl-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Cl-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20P.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",C24H20P.Cl,,,,,,WAGFXJQAIZNSEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.019.656,221-621-5,3164-34-9,Calcium tartrate,calcium tartarate,[Ca+2].OC(C(O)C(=O)[O-])C(=O)[O-],[Ca+2].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Ca/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2",C4H6O6.Ca,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15459,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.656,GUPPESBEIQALOS-UHFFFAOYSA-L,,,,,,,,,,,
100.019.657,221-622-0,3164-46-3,1-(2-phenylethyl)aziridine,1-(2-phenylethyl)aziridine,C(Cc1ccccc1)N2CC2,C(Cc1ccccc1)N2CC2,"InChI=1/C10H13N/c1-2-4-10(5-3-1)6-7-11-8-9-11/h1-5H,6-9H2",C10H13N,,,,,,QSHMWSLFNQLCNI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.663,221-628-3,3166-62-9,Methylbenactyzium bromide,"N,N-diethyl-2-[2-hydroxy(diphenyl)acetoxy]-N-methylethanaminium bromide",[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1",C21H28NO3.Br,,,,,,DKMVJQCQTCLYIF-UHFFFAOYSA-M,,,,,,,,,,,
100.019.678,221-645-6,3175-23-3,"1,2,2-trichloropropane","1,2,2-trichloropropane",CC(Cl)(Cl)CCl,CC(Cl)(Cl)CCl,"InChI=1/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3",C3H5Cl3,,,,,,DAIIXVPKQATIMF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.679,221-646-1,3176-77-0,"2-methyl-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium","3-(2-methylnaphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate",Cc1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-],Cc1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-],"InChI=1/C15H15NO3S2/c1-11-16(9-4-10-21(17,18)19)15-13-6-3-2-5-12(13)7-8-14(15)20-11/h2-3,5-8H,4,9-10H2,1H3",C15H15NO3S2,,,,,,DTCXTTJRDSLBBR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.877,225-165-8,4696-54-2,Barium octanoate,barium dioctanoate,[Ba+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Ba+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Ba/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ba,,,,,,PJUKKJYOSBWEQO-UHFFFAOYSA-L,,,,,,,,,,,
100.022.878,225-166-3,4696-56-4,Calcium dilaurate,calcium didodecanoate,[Ca+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Ca,,,,,,HIAAVKYLDRCDFQ-UHFFFAOYSA-L,,,,,,,,,,,
100.013.646,215-010-2,1253-28-7,Gestonorone caproate,17-acetyl-3-oxoestr-4-en-17-yl hexanoate,CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C,CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3",C26H38O4,,,,,,XURCMZMFZXXQDJ-UKNJCJGYSA-N,,,,,,,,,,,
100.013.650,215-014-4,1255-49-8,17ß-hydroxyandrost-4-en-3-one 3-phenylpropionate,3-oxoandrost-4-en-17-yl 3-phenylpropanoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5,"InChI=1/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3",C28H36O3,,,,,,HHSXYDOROIURIP-FEZCWRLCSA-N,,,,,,,,,,,
100.013.652,215-017-0,1256-01-5,"Hexahydro-4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1H-1,4-diazepine-1-ethanol dihydrochloride","2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1,4-diazepan-1-yl)ethanol dihydrochloride",Cl.Cl.OCCN1CCCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,Cl.Cl.OCCN1CCCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C23H28F3N3OS.2ClH/c24-23(25,26)18-7-8-22-20(17-18)29(19-5-1-2-6-21(19)31-22)12-4-11-27-9-3-10-28(14-13-27)15-16-30;;/h1-2,5-8,17,30H,3-4,9-16H2;2*1H",C23H28F3N3OS.2ClH,,,,,,OKRCIFXERYECBC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.655,215-020-7,1258-75-9,"2,2'-thiobis(4-nonylphenol)","2,2'-sulfanediylbis(4-nonylphenol)",CCCCCCCCCc1ccc(O)c(Sc2cc(CCCCCCCCC)ccc2O)c1,CCCCCCCCCc1ccc(O)c(Sc2cc(CCCCCCCCC)ccc2O)c1,"InChI=1/C30H46O2S/c1-3-5-7-9-11-13-15-17-25-19-21-27(31)29(23-25)33-30-24-26(20-22-28(30)32)18-16-14-12-10-8-6-4-2/h19-24,31-32H,3-18H2,1-2H3",C30H46O2S,,,,,,SGZMYCSMZPSIKX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.656,215-021-2,1259-35-4,Tris(pentafluorophenyl)phosphine,tris(pentafluorophenyl)phosphine,Fc1c(F)c(F)c(P(c2c(F)c(F)c(F)c(F)c2F)c3c(F)c(F)c(F)c(F)c3F)c(F)c1F,Fc1c(F)c(F)c(P(c2c(F)c(F)c(F)c(F)c2F)c3c(F)c(F)c(F)c(F)c3F)c(F)c1F,InChI=1/C18F15P/c19-1-4(22)10(28)16(11(29)5(1)23)34(17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33,C18F15P,,,,,,FQLSDFNKTNBQLC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.658,215-023-3,1260-17-9,Carminic acid,"1,5-anhydro-1-(7-carboxy-1,3,4,6-tetrahydroxy-8-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)-D-glucitol",Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12,Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12,"InChI=1/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)",C22H20O13,,,,,,DGQLVPJVXFOQEV-NGOCYOHBSA-N,,,,,,,,,,,
100.013.661,215-027-5,1262-31-3,"2,2'-thiobis[4-dodecylphenol]","2,2'-sulfanediylbis(4-dodecylphenol)",CCCCCCCCCCCCc1ccc(O)c(Sc2cc(CCCCCCCCCCCC)ccc2O)c1,CCCCCCCCCCCCc1ccc(O)c(Sc2cc(CCCCCCCCCCCC)ccc2O)c1,"InChI=1/C36H58O2S/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-33(37)35(29-31)39-36-30-32(26-28-34(36)38)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,37-38H,3-24H2,1-2H3",C36H58O2S,,,,,,QDRFHDDAGLWIAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.663,215-029-6,1263-57-6,Estradiol diundecanoate,"estra-1,3,5(10)-triene-3,17-diyl diundecanoate",CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CCCCCCCCCC)ccc4[C@H]3CC[C@]12C,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CCCCCCCCCC)ccc4[C@H]3CC[C@]12C,"InChI=1/C40H64O4/c1-4-6-8-10-12-14-16-18-20-38(41)43-32-23-25-33-31(30-32)22-24-35-34(33)28-29-40(3)36(35)26-27-37(40)44-39(42)21-19-17-15-13-11-9-7-5-2/h23,25,30,34-37H,4-22,24,26-29H2,1-3H3",C40H64O4,,,,,,PWQIMJUJIMPDSQ-OBRFQGJBSA-N,,,,,,,,,,,
100.025.420,227-962-6,6052-20-6,4-hexadecylsulphonylaniline,4-(hexadecylsulfonyl)aniline,CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(N)cc1,CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(N)cc1,"InChI=1/C22H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26(24,25)22-18-16-21(23)17-19-22/h16-19H,2-15,20,23H2,1H3",C22H39NO2S,,,,,,CQZYNBUYMYMJFW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.423,227-965-2,6053-81-2,Cyclopentanemethylamine,1-cyclopentylmethanamine,NCC1CCCC1,NCC1CCCC1,"InChI=1/C6H13N/c7-5-6-3-1-2-4-6/h6H,1-5,7H2",C6H13N,,,,,,UBLYEVLMRSPMOG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.425,227-967-3,6054-53-1,"6-[(2-chloro-4-nitrophenyl)azo]-1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol","6-[(2-chloro-4-nitrophenyl)diazenyl]-1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol",[O-][N+](=O)c4ccc(N=Nc2cc3CC(O)CNc3c1cccc(O)c12)c(Cl)c4,[O-][N+](=O)c4ccc(N=Nc2cc3CC(O)CNc3c1cccc(O)c12)c(Cl)c4,"InChI=1/C19H15ClN4O4/c20-14-8-11(24(27)28)4-5-15(14)22-23-16-7-10-6-12(25)9-21-19(10)13-2-1-3-17(26)18(13)16/h1-5,7-8,12,21,25-26H,6,9H2",C19H15ClN4O4,,,,,,HKSAZUBSSVBNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.618,227-079-6,5634-39-9,"2-(1-iodoethyl)-1,3-dioxolan-4-ylmethanol","[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol",CC(I)C1OCC(CO)O1,CC(I)C1OCC(CO)O1,"InChI=1/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3",C6H11IO3,,,,,,LTINPJMVDKPJJI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.620,227-081-7,5634-42-4,Tocamphyl,"2,2,3-trimethyl-3-{[1-(4-methylphenyl)ethoxy]carbonyl}cyclopentanecarboxylic acid - 2,2'-iminodiethanol (1:1)",CC(OC(=O)C1(C)CCC(C(=O)O)C1(C)C)c2ccc(C)cc2.OCCNCCO,CC(OC(=O)C1(C)CCC(C(=O)O)C1(C)C)c2ccc(C)cc2.OCCNCCO,"InChI=1/C19H26O4.C4H11NO2/c1-12-6-8-14(9-7-12)13(2)23-17(22)19(5)11-10-15(16(20)21)18(19,3)4;6-3-1-5-2-4-7/h6-9,13,15H,10-11H2,1-5H3,(H,20,21);5-7H,1-4H2",C19H26O4.C4H11NO2,,,,,,WSEQDEFUEFCRLT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.623,227-084-3,5636-92-0,Picloxydine,"N~1~,N~4~-bis[(4-chlorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide",Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc3ccc(Cl)cc3)cc1,Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc3ccc(Cl)cc3)cc1,"InChI=1/C20H24Cl2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)",C20H24Cl2N10,,,,,,YNCLPFSAZFGQCD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.624,227-085-9,5638-12-0,2-methylheptadecanoic acid,2-methylheptadecanoic acid,CCCCCCCCCCCCCCCC(C)C(=O)O,CCCCCCCCCCCCCCCC(C)C(=O)O,"InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20/h17H,3-16H2,1-2H3,(H,19,20)",C18H36O2,,,,,,IZUAKSAWRVFBPE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.259,228-885-0,6370-47-4,p-(1-naphthylazo)phenol,4-(1-naphthyldiazenyl)phenol,Oc3ccc(N=Nc2cccc1ccccc12)cc3,Oc3ccc(N=Nc2cccc1ccccc12)cc3,"InChI=1/C16H12N2O/c19-14-10-8-13(9-11-14)17-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19H",C16H12N2O,,,,,,PBUOCZDBWLIYDD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.447,230-191-8,6969-71-7,"1,2,4-triazolo[4,3-a]pyridin-3(2H)-one","[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one",O=C1NN=C2C=CC=CN12,O=C1NN=C2C=CC=CN12,"InChI=1/C6H5N3O/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)",C6H5N3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10791,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.447,LJRXNXBFJXXRNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.455,230-200-5,6971-51-3,3-methoxybenzyl alcohol,(3-methoxyphenyl)methanol,COc1cccc(CO)c1,COc1cccc(CO)c1,"InChI=1/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3",C8H10O2,,,,,,IIGNZLVHOZEOPV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.457,230-202-6,6971-74-0,N-[(p-tolyl)sulphonyl]benzamide,N-[(4-methylphenyl)sulfonyl]benzamide,Cc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2,Cc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2,"InChI=1/C14H13NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)",C14H13NO3S,,,,,,SGJFNRQZMRIAJP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.458,230-203-1,6971-86-4,"N',N'-dimethylhexadecanohydrazide","N',N'-dimethylhexadecanehydrazide",CCCCCCCCCCCCCCCC(=O)NN(C)C,CCCCCCCCCCCCCCCC(=O)NN(C)C,"InChI=1/C18H38N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)19-20(2)3/h4-17H2,1-3H3,(H,19,21)",C18H38N2O,,,,,,BHDMUWYOIUEAJB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.461,230-206-8,6972-47-0,"2,4,6-trichloro-3,5-dimethylphenol","2,4,6-trichloro-3,5-dimethylphenol",Cc1c(Cl)c(C)c(Cl)c(O)c1Cl,Cc1c(Cl)c(C)c(Cl)c(O)c1Cl,"InChI=1/C8H7Cl3O/c1-3-5(9)4(2)7(11)8(12)6(3)10/h12H,1-2H3",C8H7Cl3O,,,,,,ZNEWEUWJXXZLAD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.468,230-214-1,3/05/6973,2-acetamido-5-aminobenzenesulphonic acid,2-acetamido-5-aminobenzenesulfonic acid,CC(=O)Nc1ccc(N)cc1S(=O)(=O)O,CC(=O)Nc1ccc(N)cc1S(=O)(=O)O,"InChI=1/C8H10N2O4S/c1-5(11)10-7-3-2-6(9)4-8(7)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)",C8H10N2O4S,,,,,,HTSAIYNUUSUYAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.473,230-219-9,5/12/6974,"1,4-dibromobut-2-ene","1,4-dibromobut-2-ene",BrCC=CCBr,BrCC=CCBr,"InChI=1/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2",C4H6Br2,,,,,,RMXLHIUHKIVPAB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.482,230-229-3,6975-17-3,Ethyl 1-oxaspiro[2.5]octane-2-carboxylate,ethyl 1-oxaspiro[2.5]octane-2-carboxylate,CCOC(=O)C1OC12CCCCC2,CCOC(=O)C1OC12CCCCC2,"InChI=1/C10H16O3/c1-2-12-9(11)8-10(13-8)6-4-3-5-7-10/h8H,2-7H2,1H3",C10H16O3,,,,,,MARQMDSVINDKRX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.483,230-230-9,6975-24-2,p-isopropylcinnamaldehyde,3-(4-isopropylphenyl)acrylaldehyde,CC(C)c1ccc(\\C=C\\C=O)cc1,CC(C)c1ccc(\C=C\C=O)cc1,"InChI=1/C12H14O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h3-10H,1-2H3",C12H14O,,,,,,MHGRIUPTPRZPJP-ONEGZZNKSA-N,,,,,,,,,,,
100.027.484,230-231-4,6975-31-1,"Dibutyl 3,3'-thiobispropionate","dibutyl 3,3'-sulfanediyldipropanoate",CCCCOC(=O)CCSCCC(=O)OCCCC,CCCCOC(=O)CCSCCC(=O)OCCCC,"InChI=1/C14H26O4S/c1-3-5-9-17-13(15)7-11-19-12-8-14(16)18-10-6-4-2/h3-12H2,1-2H3",C14H26O4S,,,,,,HPVVIIKTKWMIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.485,230-233-5,6975-33-3,4-[(2-ethylhexyl)amino]-4-oxoisocrotonic acid,4-[(2-ethylhexyl)amino]-4-oxobut-2-enoic acid,CCCCC(CC)CNC(=O)\\C=C/C(=O)O,CCCCC(CC)CNC(=O)\C=C/C(=O)O,"InChI=1/C12H21NO3/c1-3-5-6-10(4-2)9-13-11(14)7-8-12(15)16/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)(H,15,16)",C12H21NO3,,,,,,GKRPTTYZZLGANE-FPLPWBNLSA-N,,,,,,,,,,,
100.027.486,230-234-0,6975-60-6,2-furylacetone,1-(2-furyl)acetone,CC(=O)Cc1occc1,CC(=O)Cc1occc1,"InChI=1/C7H8O2/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3",C7H8O2,,,,,,IQOJTGSBENZIOL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.607,216-067-6,1487-15-6,"2,3-dihydro-5-methylfuran","5-methyl-2,3-dihydrofuran",CC1=CCCO1,CC1=CCCO1,"InChI=1/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",C5H8O,,,,,,BGCWDXXJMUHZHE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.611,216-071-8,1489-56-1,"2,3-dihydrotoluene","1-methylcyclohexa-1,3-diene",CC1=CC=CCC1,CC1=CC=CCC1,"InChI=1/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",C7H10,,,,,,QMFJIJFIHIDENY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.614,216-074-4,1490-04-6,DL-menthol,2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10942,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.614,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.617,216-078-6,1491-41-4,Naftalofos,"2-[(diethoxyphosphoryl)oxy]-1H-benzo[de]isoquinoline-1,3(2H)-dione",CCOP(=O)(OCC)ON1C(=O)c2cccc3cccc(C1=O)c23,CCOP(=O)(OCC)ON1C(=O)c2cccc3cccc(C1=O)c23,"InChI=1/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3",C16H16NO6P,,,,,,QNSIFYWAPWSAIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.625,216-087-5,1493-13-6,Trifluoromethanesulphonic acid,trifluoromethanesulfonic acid,OS(=O)(=O)C(F)(F)F,OS(=O)(=O)C(F)(F)F,"InChI=1/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)",CHF3O3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5311,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.625,ITMCEJHCFYSIIV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.628,216-090-1,1497-16-1,"6-azaspiro[3.4]octane-5,7-dione","6-azaspiro[3.4]octane-5,7-dione",O=C1CC2(CCC2)C(=O)N1,O=C1CC2(CCC2)C(=O)N1,"InChI=1/C7H9NO2/c9-5-4-7(2-1-3-7)6(10)8-5/h1-4H2,(H,8,9,10)",C7H9NO2,,,,,,JIGMIHMXIINUHH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.633,216-095-9,1497-68-3,O-ethyl ethylchloridothiophosphonate,O-ethyl ethylphosphonochloridothioate,CCOP(=S)(Cl)CC,CCOP(=S)(Cl)CC,"InChI=1/C4H10ClOPS/c1-3-6-7(5,8)4-2/h3-4H2,1-2H3",C4H10ClOPS,,,,,,ILRHGKSQOWBYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.639,216-103-0,1498-89-1,"1',3'-dihydro-8-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]","8-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]",COc1cc(cc2C=CC3(Oc12)N(C)c4ccccc4C3(C)C)[N+](=O)[O-],COc1cc(cc2C=CC3(Oc12)N(C)c4ccccc4C3(C)C)[N+](=O)[O-],"InChI=1/C20H20N2O4/c1-19(2)15-7-5-6-8-16(15)21(3)20(19)10-9-13-11-14(22(23)24)12-17(25-4)18(13)26-20/h5-12H,1-4H3",C20H20N2O4,,,,,,IZDVWQPIYXTGIF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.886,225-175-2,4700-56-5,"(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-benzo-1,4-diazepin-3-yl) hydrogen succinate","4-[(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid",OC(=O)CCC(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,OC(=O)CCC(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,"InChI=1/C19H15ClN2O5/c20-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)22-19(18(26)21-14)27-16(25)9-8-15(23)24/h1-7,10,19H,8-9H2,(H,21,26)(H,23,24)",C19H15ClN2O5,,,,,,UCUOKZUJHTYPJT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.888,225-177-3,4702-13-0,Phthalimidoacetic acid,"(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid",OC(=O)CN1C(=O)c2ccccc2C1=O,OC(=O)CN1C(=O)c2ccccc2C1=O,"InChI=1/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)",C10H7NO4,,,,,,WQINSVOOIJDOLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.890,225-179-4,4702-34-5,"3,4-dihydro-1H-2-benzopyran-1-one","3,4-dihydro-1H-isochromen-1-one",O=C1OCCc2ccccc12,O=C1OCCc2ccccc12,"InChI=1/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2",C9H8O2,,,,,,XVTAQSGZOGYIEY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.891,225-181-5,4702-64-1,"4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthraquinone","4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)-9,10-anthraquinone",COc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,COc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,"InChI=1/C21H16N2O5/c1-28-10-4-2-9(3-5-10)11-8-13(23)16-18(19(11)25)21(27)15-12(22)6-7-14(24)17(15)20(16)26/h2-8,24-25H,22-23H2,1H3",C21H16N2O5,,,,,,OVPZEFAFTQSEJB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.896,225-186-2,4704-77-2,"3-bromopropane-1,2-diol","3-bromopropane-1,2-diol",OCC(O)CBr,OCC(O)CBr,"InChI=1/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2",C3H7BrO2,,,,,,SIBFQOUHOCRXDL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.899,225-189-9,4705-34-4,"p,p'-dimethoxystilbene","1,1'-ethene-1,2-diylbis(4-methoxybenzene)",COc1ccc(C=Cc2ccc(OC)cc2)cc1,COc1ccc(C=Cc2ccc(OC)cc2)cc1,"InChI=1/C16H16O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h3-12H,1-2H3",C16H16O2,,,,,,CAWFCZIEFIQKRV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.906,225-197-2,4709-94-8,"2,4-dihydro-5-methyl-2-phenyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-3H-pyrazol-3-one","5-methyl-2-phenyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one",C/C4=N/N(c1ccccc1)C(=O)C4N=Nc2nc(ns2)c3ccccc3,C/C4=N/N(c1ccccc1)C(=O)C4N=Nc2nc(ns2)c3ccccc3,"InChI=1/C18H14N6OS/c1-12-15(17(25)24(22-12)14-10-6-3-7-11-14)20-21-18-19-16(23-26-18)13-8-4-2-5-9-13/h2-11,15H,1H3",C18H14N6OS,,,,,,ZQNXONBESCDYEV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.910,225-201-2,4712-38-3,Butan-1-[2H]ol,butan-1-ol,CCCCO,CCCCO,"InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",C4H9DO,,,,,,LRHPLDYGYMQRHN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.916,225-208-0,4/04/4719,"2,2',2''-(hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol","2,2',2''-(1,3,5-triazinane-1,3,5-triyl)triethanol",OCCN1CN(CCO)CN(CCO)C1,OCCN1CN(CCO)CN(CCO)C1,"InChI=1/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2",C9H21N3O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15014,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.916,HUHGPYXAVBJSJV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.680,221-647-7,3176-79-2,1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]-2-naphthol,1-({3-methyl-4-[(3-methylphenyl)diazenyl]phenyl}diazenyl)-2-naphthol,Cc1cc(ccc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3O,Cc1cc(ccc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3O,"InChI=1/C24H20N4O/c1-16-6-5-8-19(14-16)25-27-22-12-11-20(15-17(22)2)26-28-24-21-9-4-3-7-18(21)10-13-23(24)29/h3-15,29H,1-2H3",C24H20N4O,,,,,,NHXXLZBKTKNTEF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.682,221-649-8,3177-13-7,"2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthyl]amino]ethanol","2-({4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-1-naphthyl}amino)ethanol",Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCO)c1ccccc12)[N+]([O-])=O,Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCO)c1ccccc12)[N+]([O-])=O,"InChI=1/C18H14ClN5O5/c19-14-9-11(23(26)27)10-17(24(28)29)18(14)22-21-16-6-5-15(20-7-8-25)12-3-1-2-4-13(12)16/h1-6,9-10,20,25H,7-8H2",C18H14ClN5O5,,,,,,DQMYXIPCBKSDCB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.686,221-654-5,3178-78-7,"3-[(5-amino-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthryl)amino]benzenesulphonamide","3-[(5-amino-4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzenesulfonamide",Nc1ccc(O)c2C(=O)c3c(Nc4cccc(c4)S(=O)(=O)N)ccc(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(Nc4cccc(c4)S(=O)(=O)N)ccc(O)c3C(=O)c12,"InChI=1/C20H15N3O6S/c21-11-4-6-13(24)17-15(11)19(26)18-14(25)7-5-12(16(18)20(17)27)23-9-2-1-3-10(8-9)30(22,28)29/h1-8,23-25H,21H2,(H2,22,28,29)",C20H15N3O6S,,,,,,DMYARGFVXSUNTD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.692,221-660-8,3179-76-8,3-(diethoxymethylsilyl)propylamine,3-[diethoxy(methyl)silyl]propan-1-amine,CCO[Si](C)(CCCN)OCC,CCO[Si](C)(CCCN)OCC,"InChI=1/C8H21NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-9H2,1-3H3",C8H21NO2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5328,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.692,HXLAEGYMDGUSBD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.694,221-662-9,3179-81-5,2-(diethylamino)ethyl stearate,2-(diethylamino)ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC,CCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC,"InChI=1/C24H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h4-23H2,1-3H3",C24H49NO2,,,,,,QZJDYFVPLXBWTK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.702,221-671-8,3/02/3182,"3-(2,4-dichloroanilino)-1-(2,4,6-trichlorophenyl)-5-pyrazolone","5-[(2,4-dichlorophenyl)amino]-2-(2,4,6-trichlorophenyl)-1,2-dihydro-3H-pyrazol-3-one",Clc1ccc(NC2=CC(=O)N(N2)c3c(Cl)cc(Cl)cc3Cl)c(Cl)c1,Clc1ccc(NC2=CC(=O)N(N2)c3c(Cl)cc(Cl)cc3Cl)c(Cl)c1,"InChI=1/C15H8Cl5N3O/c16-7-1-2-12(9(18)3-7)21-13-6-14(24)23(22-13)15-10(19)4-8(17)5-11(15)20/h1-6,21-22H",C15H8Cl5N3O,,,,,,FISWYTMHGMJNNB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.110,225-421-9,4836-13-9,N-benzoyl-2'-deoxycytidine,N-benzoyl-2'-deoxycytidine,OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3,OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3,"InChI=1/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)",C16H17N3O5,,,,,,MPSJHJFNKMUKCN-OUCADQQQSA-N,,,,,,,,,,,
100.023.121,225-433-4,5/07/4846,"(±)-N,a-dimethylphenethylamine",N-methyl-1-phenylpropan-2-amine,CNC(C)Cc1ccccc1,CNC(C)Cc1ccccc1,"InChI=1/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",C10H15N,,,,,,MYWUZJCMWCOHBA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.258,225-584-6,4941-78-0,Oxacyclohexadec-13-en-2-one,oxacyclohexadec-13-en-2-one,O=C1CCCCCCCCCC\\C=C\\CCO1,O=C1CCCCCCCCCC\C=C\CCO1,"InChI=1/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h8,10H,1-7,9,11-14H2",C15H26O2,,,,,,AGZBJJSLDGWKSU-CSKARUKUSA-N,,,,,,,,,,,
100.023.259,225-585-1,4942-47-6,"Tricyclo[3.3.1.13,7]dec-1-ylacetic acid",adamantan-1-ylacetic acid,OC(=O)CC12CC3CC(CC(C3)C1)C2,OC(=O)CC12CC3CC(CC(C3)C1)C2,"InChI=1/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)",C12H18O2,,,,,,AOTQGWFNFTVXNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.266,225-593-5,4949-44-4,Ethyl 3-oxovalerate,ethyl 3-oxopentanoate,CCOC(=O)CC(=O)CC,CCOC(=O)CC(=O)CC,"InChI=1/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3",C7H12O3,,,,,,UDRCONFHWYGWFI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.269,225-596-1,4951-48-8,(-)-menthyl propionate,2-isopropyl-5-methylcyclohexyl propionate,O=C(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CC,O=C(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CC,"InChI=1/C13H24O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3",C13H24O2,,,,,,PELLUIPPBKHUAB-GRYCIOLGSA-N,,,,,,,,,,,
100.023.271,225-598-2,4955-90-2,Sodium gentisate,"sodium 2,5-dihydroxybenzoate",[Na+].O=C([O-])c1cc(O)ccc1O,[Na+].O=C([O-])c1cc(O)ccc1O,"InChI=1/C7H6O4.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1",C7H6O4.Na,,,,,,MOIJZWWOFOQFMH-UHFFFAOYSA-M,,,,,,,,,,,
100.023.275,225-602-2,4960-48-9,"2-(bromomethyl)-1,3,4-trichlorobenzene","2-(bromomethyl)-1,3,4-trichlorobenzene",Clc1ccc(Cl)c(CBr)c1Cl,Clc1ccc(Cl)c(CBr)c1Cl,"InChI=1/C7H4BrCl3/c8-3-4-5(9)1-2-6(10)7(4)11/h1-2H,3H2",C7H4BrCl3,,,,,,URKUOLGHTOGYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.277,225-604-3,4961-40-4,"3,6-diazaoctane-1,8-diamine tetrahydrochloride","N,N'-bis(2-aminoethyl)ethane-1,2-diamine tetrahydrochloride",Cl.Cl.Cl.Cl.NCCNCCNCCN,Cl.Cl.Cl.Cl.NCCNCCNCCN,"InChI=1/C6H18N4.4ClH/c7-1-3-9-5-6-10-4-2-8;;;;/h9-10H,1-8H2;4*1H",C6H18N4.4ClH,,,,,,OKHMDSCYUWAQPT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.430,227-973-6,6054-86-0,"Sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonate","sodium 2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonate",[Na+].[O-][N+](=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)c(c3)S([O-])(=O)=O,[Na+].[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)c(c3)S([O-])(=O)=O,"InChI=1/C16H13N5O7S.Na/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;/h2-8,14,22H,1H3,(H,26,27,28);/q;+1/p-1",C16H13N5O7S.Na,,,,,,YAJDUQNWUWXIBO-UHFFFAOYSA-M,,,,,,,,,,,
100.025.431,227-974-1,6054-90-6,"Sodium 2-[[[3-[4,5-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]phenyl]sulphonyl]amino]benzoate","sodium 2-{[(3-{4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]amino}benzoate",[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccc(cc2O)[N+]([O-])=O)C3=O,[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccc(cc2O)[N+]([O-])=O)C3=O,"InChI=1/C23H18N6O8S.Na/c1-13-21(25-24-19-10-9-15(29(34)35)12-20(19)30)22(31)28(26-13)14-5-4-6-16(11-14)38(36,37)27-18-8-3-2-7-17(18)23(32)33;/h2-12,21,27,30H,1H3,(H,32,33);/q;+1/p-1",C23H18N6O8S.Na,,,,,,NDGAERPDXCMDBQ-UHFFFAOYSA-M,,,,,,,,,,,
100.025.434,227-977-8,6055-52-3,Hexamethylenediammonium dichloride,"hexane-1,6-diamine dihydrochloride",Cl.Cl.NCCCCCCN,Cl.Cl.NCCCCCCN,InChI=1/C6H16N2.2ClH/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H,C6H16N2.2ClH,,,,,,XMVQMBLTFKAIOX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.440,227-984-6,6056-52-6,[(isopropylimino)dimethylene]bisphosphonic acid,[(isopropylimino)bis(methylene)]bis(phosphonic acid),CC(C)N(CP(=O)(O)O)CP(=O)(O)O,CC(C)N(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C5H15NO6P2/c1-5(2)6(3-13(7,8)9)4-14(10,11)12/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12)",C5H15NO6P2,,,,,,MOJRXHQNPURCNP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.446,227-990-9,6063-60-1,Diethyl(propan-2-olato)aluminium,diethyl(propan-2-olato)aluminum,CC[Al](CC)OC(C)C,CC[Al](CC)OC(C)C,"InChI=1/C3H7O.2C2H5.Al/c1-3(2)4;2*1-2;/h3H,1-2H3;2*1H2,2H3;/q-1;;;+1/rC7H17AlO/c1-5-8(6-2)9-7(3)4/h7H,5-6H2,1-4H3",C7H17AlO,,,,,,QYRVKEFNJZPMKU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.452,227-997-7,6065-59-4,Diethyl pentylmalonate,diethyl pentylmalonate,CCCCCC(C(=O)OCC)C(=O)OCC,CCCCCC(C(=O)OCC)C(=O)OCC,"InChI=1/C12H22O4/c1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3/h10H,4-9H2,1-3H3",C12H22O4,,,,,,OQFYXOBMUBGANU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.456,228-001-3,6066-82-6,N-hydroxysuccinimide,"1-hydroxypyrrolidine-2,5-dione",ON1C(=O)CCC1=O,ON1C(=O)CCC1=O,"InChI=1/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2",C4H5NO3,,,,,,NQTADLQHYWFPDB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.458,228-003-4,6067-35-2,Dierbium tricarbonate,dierbium tricarbonate,[Er+3].[Er+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Er+3].[Er+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Er/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Er,,,,,,SKXKDIXGQVABHP-UHFFFAOYSA-H,,,,,,,,,,,
100.014.593,216-051-9,1484-08-8,9-butyl-9H-carbazole,9-butyl-9H-carbazole,CCCCn1c2ccccc2c3ccccc13,CCCCn1c2ccccc2c3ccccc13,"InChI=1/C16H17N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11H,2-3,12H2,1H3",C16H17N,,,,,,SQFONLULGFXJAA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.595,216-054-5,1484-12-4,9-methylcarbazole,9-methyl-9H-carbazole,Cn1c2ccccc2c3ccccc13,Cn1c2ccccc2c3ccccc13,"InChI=1/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3",C13H11N,,,,,,SDFLTYHTFPTIGX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.596,216-055-0,1484-13-5,9-vinylcarbazole,9-vinyl-9H-carbazole,C=Cn1c2ccccc2c3ccccc13,C=Cn1c2ccccc2c3ccccc13,"InChI=1/C14H11N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h2-10H,1H2",C14H11N,,,,,,KKFHAJHLJHVUDM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.601,216-060-8,1484-85-1,"Benzo-1,3-dioxole-5-ethylamine","2-(1,3-benzodioxol-5-yl)ethanamine",NCCc1ccc2OCOc2c1,NCCc1ccc2OCOc2c1,"InChI=1/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2",C9H11NO2,,,,,,RRIRDPSOCUCGBV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.605,216-065-5,1486-28-8,Methyldiphenylphosphine,methyl(diphenyl)phosphine,CP(c1ccccc1)c2ccccc2,CP(c1ccccc1)c2ccccc2,"InChI=1/C13H13P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",C13H13P,,,,,,UJNZOIKQAUQOCN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.610,216-070-2,1488-42-2,(2-carboxylatophenyl)phenyliodonium,2-(phenyliodonio)benzoate,[O-]C(=O)c1ccccc1[I+]c2ccccc2,[O-]C(=O)c1ccccc1[I+]c2ccccc2,InChI=1/C13H9IO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,C13H9IO2,,,,,,LUGVQQXOGHCZNN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.493,230-241-9,6976-93-8,2-methoxyethyl methacrylate,2-methoxyethyl methacrylate,COCCOC(=O)C(=C)C,COCCOC(=O)C(=C)C,"InChI=1/C7H12O3/c1-6(2)7(8)10-5-4-9-3/h1,4-5H2,2-3H3",C7H12O3,,,,,,YXYJVFYWCLAXHO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.497,230-246-6,6981-18-6,Ormetoprim,"5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine-2,4-diamine",COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC,COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC,"InChI=1/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)",C14H18N4O2,,,,,,KEEYRKYKLYARHO-UHFFFAOYSA-N,Positive,mzcloud:2481,[M+H]+,HCD_Averaged,259.11895:231.1240:123.0665:149.05970:81.0447,HighChem,,,,,
100.024.241,226-665-9,5447-66-5,"2,4-dicyano-3-methylglutaramide","2,4-dicyano-3-methylpentanediamide",CC(C(C#N)C(=O)N)C(C#N)C(=O)N,CC(C(C#N)C(=O)N)C(C#N)C(=O)N,"InChI=1/C8H10N4O2/c1-4(5(2-9)7(11)13)6(3-10)8(12)14/h4-6H,1H3,(H2,11,13)(H2,12,14)",C8H10N4O2,,,,,,XLQBCZSOEGHLAA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.243,226-668-5,5447-97-2,2-bromo-2-nitropropane,2-bromo-2-nitropropane,CC(C)(Br)[N+](=O)[O-],CC(C)(Br)[N+](=O)[O-],"InChI=1/C3H6BrNO2/c1-3(2,4)5(6)7/h1-2H3",C3H6BrNO2,,,,,,OADSZWXMXIWZSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.244,226-669-0,5447-99-4,3-nitropentan-2-ol,3-nitropentan-2-ol,CCC(C(C)O)[N+](=O)[O-],CCC(C(C)O)[N+](=O)[O-],"InChI=1/C5H11NO3/c1-3-5(4(2)7)6(8)9/h4-5,7H,3H2,1-2H3",C5H11NO3,,,,,,CHOTTWGZEKCPHA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.248,226-673-2,5449-26-3,"3-hydroxy-2,3-diphenylpropionic acid","3-hydroxy-2,3-diphenylpropanoic acid",OC(C(C(=O)O)c1ccccc1)c2ccccc2,OC(C(C(=O)O)c1ccccc1)c2ccccc2,"InChI=1/C15H14O3/c16-14(12-9-5-2-6-10-12)13(15(17)18)11-7-3-1-4-8-11/h1-10,13-14,16H,(H,17,18)",C15H14O3,,,,,,SHLDFCNQGMQVSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.875,228-462-0,6272-52-2,"4'-nitro-[1,1'-biphenyl]-2-amine",4'-nitrobiphenyl-2-amine,Nc1ccccc1c2ccc(cc2)[N+](=O)[O-],Nc1ccccc1c2ccc(cc2)[N+](=O)[O-],"InChI=1/C12H10N2O2/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(15)16/h1-8H,13H2",C12H10N2O2,,,,,,AMBSXARSPPODRO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.886,228-474-6,6276-54-6,3-chloropropylamine hydrochloride,3-chloropropan-1-amine hydrochloride,Cl.NCCCCl,Cl.NCCCCl,"InChI=1/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H",C3H8ClN.ClH,,,,,,IHPRVZKJZGXTBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.888,228-476-7,6277-38-9,1-(4-methoxy-3-nitrophenyl)ethan-1-one,1-(4-methoxy-3-nitrophenyl)ethanone,COc1ccc(cc1[N+](=O)[O-])C(=O)C,COc1ccc(cc1[N+](=O)[O-])C(=O)C,"InChI=1/C9H9NO4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3",C9H9NO4,,,,,,VXLKYQQBEPCMJE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.891,228-479-3,6280-14-4,N-ethyl-2-hydroxypropionamide,N-ethyl-2-hydroxypropanamide,CCNC(=O)C(C)O,CCNC(=O)C(C)O,"InChI=1/C5H11NO2/c1-3-6-5(8)4(2)7/h4,7H,3H2,1-2H3,(H,6,8)",C5H11NO2,,,,,,PWHWWMHNXSWQLD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.892,228-480-9,6280-80-4,2-formylphenoxyacetic acid,(2-formylphenoxy)acetic acid,OC(=O)COc1ccccc1C=O,OC(=O)COc1ccccc1C=O,"InChI=1/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)",C9H8O4,,,,,,ANWMNLAAFDCKMT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.895,228-484-0,6280-96-2,o-propoxyphenol,2-propoxyphenol,CCCOc1ccccc1O,CCCOc1ccccc1O,"InChI=1/C9H12O2/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,10H,2,7H2,1H3",C9H12O2,,,,,,JFSVGKRARHIICJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.901,228-490-3,6281-40-9,3-phenylpropyl hexanoate,3-phenylpropyl hexanoate,CCCCCC(=O)OCCCc1ccccc1,CCCCCC(=O)OCCCc1ccccc1,"InChI=1/C15H22O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3",C15H22O2,,,,,,RSOGLEKUVSFLMO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.902,228-491-9,6281-42-1,1-(2-aminoethyl)imidazolidin-2-one,1-(2-aminoethyl)imidazolidin-2-one,NCCN1CCNC1=O,NCCN1CCNC1=O,"InChI=1/C5H11N3O/c6-1-3-8-4-2-7-5(8)9/h1-4,6H2,(H,7,9)",C5H11N3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18216,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.902,PODSUMUEKRUDEI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.904,228-494-5,6281-72-7,3-octadecylaminopropiononitrile,3-(octadecylamino)propanenitrile,CCCCCCCCCCCCCCCCCCNCCC#N,CCCCCCCCCCCCCCCCCCNCCC#N,"InChI=1/C21H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h23H,2-18,20-21H2,1H3",C21H42N2,,,,,,GUBPKKGRODRXPY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.906,228-496-6,6282-37-7,p-methyl-a-propylbenzyl alcohol,1-(4-methylphenyl)butan-1-ol,CCCC(O)c1ccc(C)cc1,CCCC(O)c1ccc(C)cc1,"InChI=1/C11H16O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8,11-12H,3-4H2,1-2H3",C11H16O,,,,,,QTJVYHSODWHIMO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.908,228-498-7,6283-25-6,2-chloro-5-nitroaniline,2-chloro-5-nitroaniline,Nc1cc(ccc1Cl)[N+](=O)[O-],Nc1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2",C6H5ClN2O2,,,,,,KWIXNFOTNVKIGM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.909,228-499-2,6283-27-8,Diammonium malate,diammonium malate,[NH4+].[NH4+].OC(CC(=O)[O-])C(=O)[O-],[NH4+].[NH4+].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.2H3N/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);2*1H3",C4H6O5.2H3N,,,,,,KGECWXXIGSTYSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.918,225-210-1,4720-29-0,3-(benzylamino)propanol,3-(benzylamino)propan-1-ol,OCCCNCc1ccccc1,OCCCNCc1ccccc1,"InChI=1/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2",C10H15NO,,,,,,ZQJXSIOFSZYGMH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.707,215-077-8,1300-21-6,Dichloroethane,"1,1-dichloroethane",CC(Cl)Cl,CC(Cl)Cl,"InChI=1/C2H4Cl2/c1-2(3)4/h2H,1H3",C2H4Cl2,,,,,,SCYULBFZEHDVBN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.709,215-079-9,1300-26-1,Zinc glycerol phosphate,zinc 2-hydroxy-1-(hydroxymethyl)ethyl phosphate,[Zn+2].OCC(CO)OP(=O)([O-])[O-],[Zn+2].OCC(CO)OP(=O)([O-])[O-],"InChI=1/C3H9O6P.Zn/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.Zn,,,,,,VICGYSKQVYUWOM-UHFFFAOYSA-L,,,,,,,,,,,
100.013.717,215-088-8,1300-64-7,Methoxybenzoyl chloride,2-methoxybenzoyl chloride,COc1ccccc1C(=O)Cl,COc1ccccc1C(=O)Cl,"InChI=1/C8H7ClO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3",C8H7ClO2,,,,,,RZNHSEZOLFEFGB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.725,215-097-7,1301-70-8,Diiron tris(glycerophosphate),diiron tris(glycerophosphate),[Fe+3].[Fe+3].[O-]P([O-])(=O)OCC(O)CO.OCC(O)COP([O-])([O-])=O.OCC(O)COP([O-])([O-])=O,[Fe+3].[Fe+3].[O-]P([O-])(=O)OCC(O)CO.OCC(O)COP([O-])([O-])=O.OCC(O)COP([O-])([O-])=O,"InChI=1/3C3H9O6P.2Fe/c3*4-1-3(5)2-9-10(6,7)8;;/h3*3-5H,1-2H2,(H2,6,7,8);;/q;;;2*+3/p-6",C3H9O6P.2/3Fe,,,,,,AORRAZSRUFKDBZ-UHFFFAOYSA-H,,,,,,,,,,,
100.013.730,215-102-2,1302-59-6,Topaz,"1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole",CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl,CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl,"InChI=1/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3",-,,,,,,WKBPZYKAUNRMKP-UHFFFAOYSA-N,Positive,EQ310701|EQ310702|EQ310703|EQ310704|EQ310705|EQ310706|EQ310707|EQ310708|EQ310709,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,284.0714:70.0399:158.976|70.0399:158.9762:172.9919|70.0399:158.9762:172.9919|70.0399:158.9762:172.9919|158.9762:70.0399:122.9995|158.9762:70.0399:122.9995|70.0399:122.9995:89.0385|89.0385:70.0399:72.9839|89.0385:72.9839:63.0229,Eawag,,,,,
100.025.467,228-013-9,6077-65-2,Dichloroacetyl isocyanate,dichloroacetyl isocyanate,ClC(Cl)C(=O)N=C=O,ClC(Cl)C(=O)N=C=O,InChI=1/C3HCl2NO2/c4-2(5)3(8)6-1-7/h2H,C3HCl2NO2,,,,,,TVPVPCIFAVVLAU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.470,228-017-0,6079-90-9,Propylene diacetoacetate,"propane-1,2-diyl bis(3-oxobutanoate)",CC(COC(=O)CC(=O)C)OC(=O)CC(=O)C,CC(COC(=O)CC(=O)C)OC(=O)CC(=O)C,"InChI=1/C11H16O6/c1-7(12)4-10(14)16-6-9(3)17-11(15)5-8(2)13/h9H,4-6H2,1-3H3",C11H16O6,,,,,,LJJMDCNKKJRLBW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.476,228-023-3,6087-59-8,4-(ethylamino)-3-methylbenzenediazonium tetrafluoroborate,4-(ethylamino)-3-methylbenzenediazonium tetrafluoroborate,CCNc1ccc(cc1C)[N+]#N.F[B-](F)(F)F,CCNc1ccc(cc1C)[N+]#N.F[B-](F)(F)F,"InChI=1/C9H12N3.BF4/c1-3-11-9-5-4-8(12-10)6-7(9)2;2-1(3,4)5/h4-6,11H,3H2,1-2H3;/q+1;-1",C9H12N3.BF4,,,,,,GXAWUBYDAYVYDD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.477,228-024-9,6087-94-1,Bis(2-chloroethyl) chlorophosphate,bis(2-chloroethyl) chlorophosphate,ClCCOP(=O)(Cl)OCCCl,ClCCOP(=O)(Cl)OCCCl,"InChI=1/C4H8Cl3O3P/c5-1-3-9-11(7,8)10-4-2-6/h1-4H2",C4H8Cl3O3P,,,,,,XETKNKZXWYEULP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.482,228-030-1,6090-26-2,"Dihydro-3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,2'(5'H)-furan]-5'-one","3,3-dimethyldihydro-5'H-spiro[bicyclo[2.2.1]heptane-2,2'-furan]-5'-one",CC1(C)C2CCC(C2)C13CCC(=O)O3,CC1(C)C2CCC(C2)C13CCC(=O)O3,"InChI=1/C12H18O2/c1-11(2)8-3-4-9(7-8)12(11)6-5-10(13)14-12/h8-9H,3-7H2,1-2H3",C12H18O2,,,,,,QVTZYJHTBWCKAM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.484,228-032-2,6091-13-0,Physostigmine hydrobromide,"1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate hydrobromide",Br.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1,Br.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1,"InChI=1/C15H21N3O2.BrH/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1H",C15H21N3O2.BrH,,,,,,HFIWKRLOGGSAQX-PBCQUBLHSA-N,,,,,,,,,,,
100.025.493,228-042-7,6094-40-2,Piperazine hydrochloride,piperazine hydrochloride,Cl.C1CNCCN1,Cl.C1CNCCN1,"InChI=1/C4H10N2.ClH/c1-2-6-4-3-5-1;/h5-6H,1-4H2;1H",C4H10N2.xClH,,,,,,MSQACBWWAIBWIC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.497,228-046-9,6098-53-9,4-(diethylamino)-2-methylbenzenediazonium tetrafluoroborate,4-(diethylamino)-2-methylbenzenediazonium tetrafluoroborate,CCN(CC)c1ccc([N+]#N)c(C)c1.F[B-](F)(F)F,CCN(CC)c1ccc([N+]#N)c(C)c1.F[B-](F)(F)F,"InChI=1/C11H16N3.BF4/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;2-1(3,4)5/h6-8H,4-5H2,1-3H3;/q+1;-1",C11H16N3.BF4,,,,,,NKGQJOPVOVQZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.135,229-848-1,6784-82-3,"7-carboxy-12,17-diethyl-3,8,13,18-tetramethyl-21H,23H-porphine-2-propionic acid","17-(2-carboxyethyl)-7,12-diethyl-3,8,13,18-tetramethylporphine-2-carboxylic acid",CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4C(=O)O)C)C(=C3CCC(=O)O)C,CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4C(=O)O)C)C(=C3CCC(=O)O)C,"InChI=1/C32H32N4O4/c1-7-19-16(4)23-12-28-21(9-10-30(37)38)17(5)24(35-28)14-29-31(32(39)40)18(6)25(36-29)13-27-20(8-2)15(3)22(33-27)11-26(19)34-23/h11-14H,7-10H2,1-6H3,(H,37,38)(H,39,40)",C32H34N4O4,,,,,,QNZDPKOOHMNJEC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.279,225-606-4,4965-17-7,Tetrapentylammonium chloride,"N,N,N-tripentylpentan-1-aminium chloride",[Cl-].CCCCC[N+](CCCCC)(CCCCC)CCCCC,[Cl-].CCCCC[N+](CCCCC)(CCCCC)CCCCC,"InChI=1/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1",C20H44N.Cl,,,,,,SXAWRMKQZKPHNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.023.284,225-612-7,4971-18-0,2-ethylcyclopentan-1-one,2-ethylcyclopentanone,CCC1CCCC1=O,CCC1CCCC1=O,"InChI=1/C7H12O/c1-2-6-4-3-5-7(6)8/h6H,2-5H2,1H3",C7H12O,,,,,,PPTKUTYPOKHBTL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.050,217-653-4,1922-99-2,"2-benzyl-1,1,1,3,3,3-hexachloro-1,3-disilapropane","(2-phenylethane-1,1-diyl)bis(trichlorosilane)",Cl[Si](Cl)(Cl)C(Cc1ccccc1)[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)C(Cc1ccccc1)[Si](Cl)(Cl)Cl,"InChI=1/C8H8Cl6Si2/c9-15(10,11)8(16(12,13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2",C8H8Cl6Si2,,,,,,FKVMNOZPEYQJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.051,217-655-5,1923-70-2,Tetrabutylammonium perchlorate,"N,N,N-tributylbutan-1-aminium perchlorate",CCCC[N+](CCCC)(CCCC)CCCC.[O-]Cl(=O)(=O)=O,CCCC[N+](CCCC)(CCCC)CCCC.[O-]Cl(=O)(=O)=O,"InChI=1/C16H36N.ClHO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C16H36N.ClO4,,,,,,KBLZDCFTQSIIOH-UHFFFAOYSA-M,,,,,,,,,,,
100.016.055,217-659-7,1926-94-9,Dexamethasone 21-pivalate,"9-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate",CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,"InChI=1/C26H35FO6/c1-22(2,3)21(31)33-14-20(30)25(32)11-9-17-18-7-6-15-12-16(28)8-10-23(15,4)26(18,27)19(29)13-24(17,25)5/h8,10,12,17-19,29,32H,6-7,9,11,13-14H2,1-5H3",C27H37FO6,,,,,,IMMAASKKOMCWSF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.058,217-662-3,1927-31-7,2'-deoxyadenosine 5'-(tetrahydrogen triphosphate),9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine,Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3,Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3,"InChI=1/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)",C10H16N5O12P3,,,,,,SUYVUBYJARFZHO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.069,217-674-9,1928-44-5,"Octyl (2,4-dichlorophenoxy)acetate","octyl (2,4-dichlorophenoxy)acetate",CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl,CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C16H22Cl2O3/c1-2-3-4-5-6-7-10-20-16(19)12-21-15-9-8-13(17)11-14(15)18/h8-9,11H,2-7,10,12H2,1H3",C16H22Cl2O3,,,,,,JWEDKKSQRXHXJD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.071,217-677-5,1928-61-6,"Propyl 2,4-dichlorophenoxyacetate","propyl (2,4-dichlorophenoxy)acetate",CCCOC(=O)COc1ccc(Cl)cc1Cl,CCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C11H12Cl2O3/c1-2-5-15-11(14)7-16-10-4-3-8(12)6-9(10)13/h3-4,6H,2,5,7H2,1H3",C11H12Cl2O3,,,,,,URELEWKDONECLX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.083,217-690-6,1931-61-9,Di(tert-butyl) methyldiperoxysuccinate,di-tert-butyl 2-methylbutanediperoxoate,CC(CC(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C,CC(CC(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C,"InChI=1/C13H24O6/c1-9(11(15)17-19-13(5,6)7)8-10(14)16-18-12(2,3)4/h9H,8H2,1-7H3",C13H24O6,,,,,,VEOMCUUTIYXSLV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.090,217-697-4,1934-20-9,Sodium 6-hydroxy-5-phenylazo-2-naphthalenesulphonate,sodium 6-hydroxy-5-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1ccccc1)c3cc2,[Na+].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1ccccc1)c3cc2,"InChI=1/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,19H,(H,20,21,22);/q;+1/p-1",C16H12N2O4S.Na,,,,,,YOCIQNIEQYCORH-UHFFFAOYSA-M,,,,,,,,,,,
100.016.091,217-699-5,1934-21-0,Trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate,trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate,[Na+].[Na+].[Na+].OS(=O)(=O)c1ccc(cc1)N=Nc3c(nn(c2ccc(cc2)S(O)(=O)=O)c3O)C([O-])=O.OS(=O)(=O)c1ccc(cc1)N=Nc3c(nn(c2ccc(cc2)S(O)(=O)=O)c3O)C([O-])=O.OS(=O)(=O)c1ccc(cc1)N=Nc3c(nn(c2ccc(cc2)S(O)(=O)=O)c3O)C([O-])=O,[Na+].[Na+].[Na+].OS(=O)(=O)c1ccc(cc1)N=Nc3c(nn(c2ccc(cc2)S(O)(=O)=O)c3O)C([O-])=O.OS(=O)(=O)c1ccc(cc1)N=Nc3c(nn(c2ccc(cc2)S(O)(=O)=O)c3O)C([O-])=O.OS(=O)(=O)c1ccc(cc1)N=Nc3c(nn(c2ccc(cc2)S(O)(=O)=O)c3O)C([O-])=O,"InChI=1/3C16H12N4O9S2.3Na/c3*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h3*1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;;;3*+1/p-3",C16H12N4O9S2.3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17292,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.091,UZNUCSRHYIALSJ-UHFFFAOYSA-K,,,,,,,,,,,
100.016.280,217-906-9,2004-39-9,Heptacosanol,heptacosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C27H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h28H,2-27H2,1H3",C27H56O,,,,,,ULCZGKYHRYJXAU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.281,217-907-4,2004-67-3,4-methylpent-4-en-2-ol,4-methylpent-4-en-2-ol,CC(O)CC(=C)C,CC(O)CC(=C)C,"InChI=1/C6H12O/c1-5(2)4-6(3)7/h6-7H,1,4H2,2-3H3",C6H12O,,,,,,KPHPTSMXBAVNPX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.286,217-913-7,2007-97-8,"2,2,2-trichloro-2,2-dihydro-1,3,2-benzodioxaphosphole","2,2,2-trichloro-1,3,2lambda~5~-benzodioxaphosphole",ClP1(Cl)(Cl)Oc2ccccc2O1,ClP1(Cl)(Cl)Oc2ccccc2O1,"InChI=1/C6H4Cl3O2P/c7-12(8,9)10-5-3-1-2-4-6(5)11-12/h1-4H",C6H4Cl3O2P,,,,,,PHDTZFMTDQJSSW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.287,217-914-2,3/07/2008,2-benzylbenzoxazole,"2-benzyl-1,3-benzoxazole",C(c1ccccc1)c2oc3ccccc3n2,C(c1ccccc1)c2oc3ccccc3n2,"InChI=1/C14H11NO/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2",C14H11NO,,,,,,QHCPEVCCVPNQHM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.615,216-076-5,1490-20-6,"(R)-1-[[(hexadecanoyl)oxy]methyl]-4-hydroxy-8-methyl-3,5-dioxa-8-aza-4-phosphanon-1-yl oleate P-oxide","4-hydroxy-8-methyl-4-oxido-1-[(palmitoyloxy)methyl]-3,5-dioxa-8-aza-4-phosphanon-1-yl octadec-9-enoate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C41H80NO8P/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3)4)37-47-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h19-20,39H,5-18,21-38H2,1-4H3,(H,45,46)",C41H80NO8P,,,,,,ZSVMWQMKUKDZTH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.618,216-079-1,1491-59-4,Oxymetazoline,"6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol",Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C,Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C,"InChI=1/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)",C16H24N2O,,,,,,WYWIFABBXFUGLM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.620,216-081-2,1492-02-0,Glybuzole,"N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1,CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1,"InChI=1/C12H15N3O2S2/c1-12(2,3)10-13-14-11(18-10)15-19(16,17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15)",C12H15N3O2S2,,,,,,NMWQEPCLNXHPDX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.622,216-083-3,1492-24-6,(-)-2-aminobutyric acid,2-aminobutanoic acid,CCC(N)C(=O)O,CCC(N)C(=O)O,"InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2,,,,,,QWCKQJZIFLGMSD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.623,216-084-9,1492-30-4,4-nitrophenyl palmitate,4-nitrophenyl palmitate,CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-],CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3",C22H35NO4,,,,,,LVZSQWIWCANHPF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.624,216-085-4,1492-87-1,4-[methyl[(nonafluorobutyl)sulphonyl]amino]butyl acrylate,4-{methyl[(nonafluorobutyl)sulfonyl]amino}butyl acrylate,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H14F9NO4S/c1-3-8(23)26-7-5-4-6-22(2)27(24,25)12(20,21)10(15,16)9(13,14)11(17,18)19/h3H,1,4-7H2,2H3",C12H14F9NO4S,,,,,,PGYDZCBTWHHAQX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.630,216-092-2,1497-19-4,"3-methyl-3-propylpyrrolidine-2,5-dione","3-methyl-3-propylpyrrolidine-2,5-dione",CCCC1(C)CC(=O)NC1=O,CCCC1(C)CC(=O)NC1=O,"InChI=1/C8H13NO2/c1-3-4-8(2)5-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)",C8H13NO2,,,,,,VXXGMHKGORIRTK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.636,216-099-0,1498-51-7,Ethyl dichlorophosphate,ethyl dichlorophosphate,CCOP(=O)(Cl)Cl,CCOP(=O)(Cl)Cl,"InChI=1/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3",C2H5Cl2O2P,,,,,,YZBOZNXACBQJHI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.642,216-106-7,1499-17-8,o-phenylene phosphorochloridate,o-phenylene phosphorochloridate,OP(=O)(Cl)Oc1ccccc1OP(=O)([O-])Cl,OP(=O)(Cl)Oc1ccccc1OP(=O)([O-])Cl,"InChI=1/C6H6Cl2O6P2/c7-15(9,10)13-5-3-1-2-4-6(5)14-16(8,11)12/h1-4H,(H,9,10)(H,11,12)/p-1",C6H4ClO3P,,,,,,QIAIRBDLXKPLCH-UHFFFAOYSA-M,,,,,,,,,,,
100.022.882,225-171-0,4697-36-3,Carbenicillin,"6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,"InChI=1/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)",C17H18N2O6S,,,,,,FPPNZSSZRUTDAP-UWFZAAFLSA-N,,,,,,,,,,,
100.022.889,225-178-9,4702-32-3,"Tetrahydro-5-oxofuran-2,3-dicarboxylic acid","5-oxotetrahydrofuran-2,3-dicarboxylic acid (non-preferred name)",OC(=O)C1CC(=O)OC1C(=O)O,OC(=O)C1CC(=O)OC1C(=O)O,"InChI=1/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11)",C6H6O6,,,,,,UKZDIMBDWHZXOK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.895,225-185-7,4704-31-8,Vinyl decanoate,vinyl decanoate,CCCCCCCCCC(=O)OC=C,CCCCCCCCCC(=O)OC=C,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h4H,2-3,5-11H2,1H3",C12H22O2,,,,,,CMDXMIHZUJPRHG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.897,225-187-8,4704-94-3,"2-(hydroxymethyl)propane-1,3-diol","2-(hydroxymethyl)propane-1,3-diol",OCC(CO)CO,OCC(CO)CO,"InChI=1/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2",C4H10O3,,,,,,SFRDXVJWXWOTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.898,225-188-3,3/09/4705,"4-isopropylidene-3,5,5-trimethylcyclohex-2-en-1-one","4-isopropylidene-3,5,5-trimethylcyclohex-2-en-1-one",CC(=C1C(=CC(=O)CC1(C)C)C)C,CC(=C1C(=CC(=O)CC1(C)C)C)C,"InChI=1/C12H18O/c1-8(2)11-9(3)6-10(13)7-12(11,4)5/h6H,7H2,1-5H3",C12H18O,,,,,,MTLGZOPMHYWXRN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.900,225-190-4,4706-78-9,Potassium dodecyl sulphate,potassium dodecyl sulfate,[K+].CCCCCCCCCCCCOS(=O)(=O)[O-],[K+].CCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C12H26O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",C12H26O4S.K,,,,,,ONQDVAFWWYYXHM-UHFFFAOYSA-M,,,,,,,,,,,
100.022.901,225-192-5,4706-81-4,Tetradecan-2-ol,tetradecan-2-ol,CCCCCCCCCCCCC(C)O,CCCCCCCCCCCCC(C)O,"InChI=1/C14H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14-15H,3-13H2,1-2H3",C14H30O,,,,,,BRGJIIMZXMWMCC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.903,225-194-6,4707-71-5,Phenanthrene-9-carbaldehyde,phenanthrene-9-carbaldehyde,O=Cc1cc2ccccc2c3ccccc13,O=Cc1cc2ccccc2c3ccccc13,InChI=1/C15H10O/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H,C15H10O,,,,,,QECIGCMPORCORE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.910,228-500-6,6283-63-2,"N,N-diethylbenzene-1,4-diammonium sulphate","N,N-diethylbenzene-1,4-diamine sulfate",CCN(CC)c1ccc(N)cc1.OS(=O)(=O)O,CCN(CC)c1ccc(N)cc1.OS(=O)(=O)O,"InChI=1/C10H16N2.H2O4S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-5(2,3)4/h5-8H,3-4,11H2,1-2H3;(H2,1,2,3,4)",C10H16N2.H2O4S,,,,,,AYLDJQABCMPYEN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.377,233-428-3,10155-49-4,3-hydroxy-7-methoxy-N-[3-(morpholino)propyl]naphthalene-2-carboxamide,3-hydroxy-7-methoxy-N-(3-morpholin-4-ylpropyl)-2-naphthamide,COc1ccc2cc(O)c(cc2c1)C(=O)NCCCN3CCOCC3,COc1ccc2cc(O)c(cc2c1)C(=O)NCCCN3CCOCC3,"InChI=1/C19H24N2O4/c1-24-16-4-3-14-13-18(22)17(12-15(14)11-16)19(23)20-5-2-6-21-7-9-25-10-8-21/h3-4,11-13,22H,2,5-10H2,1H3,(H,20,23)",C19H24N2O4,,,,,,LVWUUYNJAWJGTF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.387,233-439-3,10169-02-5,"Disodium 4,4'-bis(2-hydroxynaphthalen-1-ylazo)biphenyl-2,6'-disulphonate","disodium 4,4'-bis[(2-hydroxy-1-naphthyl)diazenyl]biphenyl-2,2'-disulfonate",[Na+].[Na+].Oc6ccc1ccccc1c6N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=Nc4c5ccccc5ccc4O,[Na+].[Na+].Oc6ccc1ccccc1c6N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=Nc4c5ccccc5ccc4O,"InChI=1/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C32H22N4O8S2.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10665,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.387,JCEBMROGCIEFRX-UHFFFAOYSA-L,,,,,,,,,,,
100.030.389,233-441-4,10169-52-5,"Disodium 2-[9-chloro-3-(sulphonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulphate","disodium 9-chloro-2-[3-(sulfonatooxy)-1H-indol-2-yl]naphtho[1,2-b]thiophen-3-yl sulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c([nH]c2ccccc12)c3sc4c(ccc5cccc(Cl)c45)c3OS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)Oc1c([nH]c2ccccc12)c3sc4c(ccc5cccc(Cl)c45)c3OS(=O)(=O)[O-],"InChI=1/C20H12ClNO8S3.2Na/c21-13-6-3-4-10-8-9-12-18(30-33(26,27)28)20(31-19(12)15(10)13)16-17(29-32(23,24)25)11-5-1-2-7-14(11)22-16;;/h1-9,22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C20H12ClNO8S3.2Na,,,,,,VQNHJDZRCIAIHS-UHFFFAOYSA-L,,,,,,,,,,,
100.030.391,233-444-0,10170-03-3,"Tetramethyl 3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-21H,23H-porphine-2,7,12,17-tetrapropionate","tetramethyl 3,3',3'',3'''-[3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)porphine-2,7,12,17-tetrayl]tetrapropanoate",COC(=O)CCC1=C(CC(=O)OC)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CCC(=O)OC)CC(=O)OC)C(=C4CCC(=O)OC)CC(=O)OC)C(=C3CCC(=O)OC)CC(=O)OC,COC(=O)CCC1=C(CC(=O)OC)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CCC(=O)OC)CC(=O)OC)C(=C4CCC(=O)OC)CC(=O)OC)C(=C3CCC(=O)OC)CC(=O)OC,"InChI=1/C48H52N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37/h21-24H,9-20H2,1-8H3",C48H54N4O16,,,,,,NWFSMZINVPURHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.394,233-447-7,10172-89-1,N-acetyl-3-phenyl-D-alanine,N-acetyl-D-phenylalanine,CC(=O)N[C@H](Cc1ccccc1)C(=O)O,CC(=O)N[C@H](Cc1ccccc1)C(=O)O,"InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)",C11H13NO3,,,,,,CBQJSKKFNMDLON-SNVBAGLBSA-N,,,,,,,,,,,
100.030.400,233-454-5,10182-92-0,Trimethyltetradecylammonium,"N,N,N-trimethyltetradecan-1-aminium",CCCCCCCCCCCCCC[N+](C)(C)C,CCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1",C17H38N,,,,,,GLFDLEXFOHUASB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.404,233-458-7,10189-42-1,"1-[2-[[4-[[2,6-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethyl]pyridinium chloride","1-{2-[(4-{[2,6-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl)(ethyl)amino]ethyl}pyridinium chloride",[Cl-].CN(C)S(=O)(=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[Cl-].CN(C)S(=O)(=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C23H26Cl2N5O2S.ClH/c1-4-30(15-14-29-12-6-5-7-13-29)19-10-8-18(9-11-19)26-27-23-21(24)16-20(17-22(23)25)33(31,32)28(2)3;/h5-13,16-17H,4,14-15H2,1-3H3;1H/q+1;/p-1",C23H26Cl2N5O2S.Cl,,,,,,RTNVCVGNGYYACF-UHFFFAOYSA-M,,,,,,,,,,,
100.030.408,233-462-9,10190-69-9,"Sodium 6-methyl-2'-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl][2,6'-bibenzothiazole]-7-sulphonate","sodium 6-methyl-2'-(4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}phenyl)-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].CC(=O)C(N=Nc1ccc(cc1)c2nc3ccc(cc3s2)c4nc5ccc(C)c(c5s4)S([O-])(=O)=O)C(=O)Nc6ccccc6,[Na+].CC(=O)C(N=Nc1ccc(cc1)c2nc3ccc(cc3s2)c4nc5ccc(C)c(c5s4)S([O-])(=O)=O)C(=O)Nc6ccccc6,"InChI=1/C31H23N5O5S3.Na/c1-17-8-14-24-27(28(17)44(39,40)41)43-31(34-24)20-11-15-23-25(16-20)42-30(33-23)19-9-12-22(13-10-19)35-36-26(18(2)37)29(38)32-21-6-4-3-5-7-21;/h3-16,26H,1-2H3,(H,32,38)(H,39,40,41);/q;+1/p-1",C31H23N5O5S3.Na,,,,,,UOCPPEFICVBBME-UHFFFAOYSA-M,,,,,,,,,,,
100.030.417,233-472-3,10192-62-8,"4,4'-isopropylidenediphenyl diacetate","propane-2,2-diyldi-4,1-phenylene diacetate",CC(=O)Oc1ccc(cc1)C(C)(C)c2ccc(OC(=O)C)cc2,CC(=O)Oc1ccc(cc1)C(C)(C)c2ccc(OC(=O)C)cc2,"InChI=1/C19H20O4/c1-13(20)22-17-9-5-15(6-10-17)19(3,4)16-7-11-18(12-8-16)23-14(2)21/h5-12H,1-4H3",C19H20O4,,,,,,NSNHONPMCQYMNT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.264,228-890-8,6370-89-4,"1-amino-4,8-dihydroxy-5-(phenylamino)anthraquinone","1-amino-5-anilino-4,8-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)c12,"InChI=1/C20H14N2O4/c21-11-6-8-13(23)17-15(11)19(25)18-14(24)9-7-12(16(18)20(17)26)22-10-4-2-1-3-5-10/h1-9,22-24H,21H2",C20H14N2O4,,,,,,BWAIAPNVNORHCV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.646,216-110-9,1499-55-4,(5)-methyl L-hydrogen glutamate,2-amino-5-methoxy-5-oxopentanoic acid (non-preferred name),COC(=O)CCC(N)C(=O)O,COC(=O)CCC(N)C(=O)O,"InChI=1/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)",C6H11NO4,,,,,,ZGEYCCHDTIDZAE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.648,216-113-5,1501-05-9,4-benzoylbutyric acid,5-oxo-5-phenylpentanoic acid,OC(=O)CCCC(=O)c1ccccc1,OC(=O)CCCC(=O)c1ccccc1,"InChI=1/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)",C11H12O3,,,,,,SHKWSBAVRQZYLE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.652,216-117-7,1501-82-2,Cyclododecene,cyclododecene,C1CCCCC\\C=C\\CCCC1,C1CCCCC\C=C\CCCC1,"InChI=1/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2",C12H22,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18692,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.652,HYPABJGVBDSCIT-OWOJBTEDSA-N,,,,,,,,,,,
100.014.657,216-122-4,1502-47-2,"1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine","1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine",NC1=NC2=NC(=NC3=NC(=NC(=N1)N23)N)N,NC1=NC2=NC(=NC3=NC(=NC(=N1)N23)N)N,"InChI=1/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15)",C6H6N10,,,,,,YSRVJVDFHZYRPA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.658,216-124-5,1502-95-0,"O,O'-diacetylmorphine hydrochloride","17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate hydrochloride",Cl.CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35,Cl.CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35,"InChI=1/C21H23NO5.ClH/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H",C21H23NO5.ClH,,,,,,FZJYQGFGNHGSFX-PVQKIFDLSA-N,,,,,,,,,,,
100.014.665,216-131-3,1504-74-1,2'-methoxycinnamaldehyde,3-(2-methoxyphenyl)acrylaldehyde,COc1ccccc1\\C=C\\C=O,COc1ccccc1\C=C\C=O,"InChI=1/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3",C10H10O2,,,,,,KKVZAVRSVHUSPL-GQCTYLIASA-N,,,,,,,,,,,
100.014.676,216-143-9,1509-35-9,Allo-D-isoleucine,D-alloisoleucine,CC[C@H](C)[C@@H](N)C(=O)O,CC[C@H](C)[C@@H](N)C(=O)O,"InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)",C6H13NO2,,,,,,AGPKZVBTJJNPAG-CRCLSJGQSA-N,,,,,,,,,,,
100.014.686,216-154-9,1514-87-0,Methyl chlorodifluoroacetate,methyl chloro(difluoro)acetate,COC(=O)C(F)(F)Cl,COC(=O)C(F)(F)Cl,"InChI=1/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3",C3H3ClF2O2,,,,,,AWUPLMYXZJKHEG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.931,225-224-8,4727-50-8,1-ethyl-4-[3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl]quinolinium iodide,1-ethyl-4-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide,[I-].CC[n+]4ccc(C=CC=C2/C=C\\N(CC)c1ccccc12)c3ccccc34,[I-].CC[n+]4ccc(C=CC=C2/C=C\N(CC)c1ccccc12)c3ccccc34,"InChI=1/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",C25H25N2.I,,,,,,CEJANLKHJMMNQB-UHFFFAOYSA-M,,,,,,,,,,,
100.022.943,225-237-9,1/12/4732,2-isopropyl-5-methylphenetole,2-ethoxy-1-isopropyl-4-methylbenzene,CCOc1cc(C)ccc1C(C)C,CCOc1cc(C)ccc1C(C)C,"InChI=1/C12H18O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h6-9H,5H2,1-4H3",C12H18O,,,,,,XBHCIDWYCKQMQS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.953,225-248-9,4740-78-7,"1,3-dioxan-5-ol","1,3-dioxan-5-ol",OC1COCOC1,OC1COCOC1,"InChI=1/C4H8O3/c5-4-1-6-3-7-2-4/h4-5H,1-3H2",C4H8O3,,,,,,VCKSNYNNVSOWEE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.959,225-255-7,4743-17-3,"6-chloro-4H-3,1-benzoxazine-2,4(1H)-dione","6-chloro-2H-3,1-benzoxazine-2,4(1H)-dione",Clc1ccc2NC(=O)OC(=O)c2c1,Clc1ccc2NC(=O)OC(=O)c2c1,"InChI=1/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)",C8H4ClNO3,,,,,,MYQFJMYJVJRSGP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.965,225-262-5,4746-87-6,"2-hydroxy-2,2-diphenylacetamide","2-hydroxy-2,2-diphenylacetamide",NC(=O)C(O)(c1ccccc1)c2ccccc2,NC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C14H13NO2/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H2,15,16)",C14H13NO2,,,,,,REQXYFLFNBBIRX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.972,225-269-3,4748-86-1,"6-methylcyclohexa-1,3-diene-1-carbaldehyde","6-methylcyclohexa-1,3-diene-1-carbaldehyde",CC1CC=CC=C1C=O,CC1CC=CC=C1C=O,"InChI=1/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-3,5-7H,4H2,1H3",C8H10O,,,,,,UINSAUGFYNAHOP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.977,225-275-6,7/10/4752,"1,4-dichlorophthalazine","1,4-dichlorophthalazine",Clc1nnc(Cl)c2ccccc12,Clc1nnc(Cl)c2ccccc12,InChI=1/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H,C8H4Cl2N2,,,,,,ODCNAEMHGMYADO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.978,225-276-1,4752-86-7,Sanguinarine nitrate,"13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium nitrate",C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14.[O-][N+](=O)[O-],C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14.[O-][N+](=O)[O-],"InChI=1/C20H14NO4.NO3/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21;2-1(3)4/h2-8H,9-10H2,1H3;/q+1;-1",C20H14NO4.NO3,,,,,,RBKBIPRGKKUAFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.876,214-163-2,1104-21-8,"4,4',4''-phosphinetriyltris[N,N-dimethylaniline]","4,4',4''-phosphinetriyltris(N,N-dimethylaniline)",CN(C)c1ccc(cc1)P(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)P(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,"InChI=1/C24H30N3P/c1-25(2)19-7-13-22(14-8-19)28(23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6/h7-18H,1-6H3",C24H30N3P,,,,,,GNETVOUSGGAEDK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.288,217-915-8,2008-39-1,"Dimethylammonium 2,4-dichlorophenoxyacetate","N-methylmethanaminium (2,4-dichlorophenoxy)acetate",C[NH2+]C.[O-]C(=O)COc1ccc(Cl)cc1Cl,C[NH2+]C.[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3",C8H6Cl2O3.C2H7N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12438,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.288,IUQJDHJVPLLKFL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.290,217-917-9,2008-46-0,"Triethylammonium (2,4,5-trichlorophenoxy)acetate","N,N-diethylethanaminium (2,4,5-trichlorophenoxy)acetate",CC[NH+](CC)CC.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,CC[NH+](CC)CC.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3.C6H15N/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;1-4-7(5-2)6-3/h1-2H,3H2,(H,12,13);4-6H2,1-3H3",C8H5Cl3O3.C6H15N,,,,,,QZKXBNCXPQMZLF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.292,217-920-5,2008-75-5,1-(2-chloroethyl)piperidinium chloride,1-(2-chloroethyl)piperidinium chloride,[Cl-].ClCC[NH+]1CCCCC1,[Cl-].ClCC[NH+]1CCCCC1,InChI=1/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H,C7H14ClN.ClH,,,,,,VFLQQZCRHPIGJU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.294,217-922-6,2008-88-0,"Ethyl 4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate","ethyl 4-[(2,5-dichlorophenyl)diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",CCOC(=O)C/3=N/N(c1ccccc1)C(=O)C\\3N=Nc2cc(Cl)ccc2Cl,CCOC(=O)C/3=N/N(c1ccccc1)C(=O)C\3N=Nc2cc(Cl)ccc2Cl,"InChI=1/C18H14Cl2N4O3/c1-2-27-18(26)16-15(22-21-14-10-11(19)8-9-13(14)20)17(25)24(23-16)12-6-4-3-5-7-12/h3-10,15H,2H2,1H3",C18H14Cl2N4O3,,,,,,WHQOVNOGONNMJB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.296,217-924-7,2009-64-5,"[S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one","2-amino-6-(1,2,3-trihydroxypropyl)pteridin-4(1H)-one",NC1=NC(=O)c2nc(cnc2N1)C(O)C(O)CO,NC1=NC(=O)c2nc(cnc2N1)C(O)C(O)CO,"InChI=1/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)",C9H11N5O4,,,,,,BMQYVXCPAOLZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.303,217-932-0,2011-70-3,N-(2-benzoyl-4-nitrophenyl)-2-bromoacetamide,N-(2-benzoyl-4-nitrophenyl)-2-bromoacetamide,[O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2,[O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2,"InChI=1/C15H11BrN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)",C15H11BrN2O4,,,,,,USZJZGVAIGKLRF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.307,217-936-2,9/12/2013,D-(-)-norvaline,D-norvaline,CCC[C@@H](N)C(=O)O,CCC[C@@H](N)C(=O)O,"InChI=1/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2,,,,,,SNDPXSYFESPGGJ-SCSAIBSYSA-N,,,,,,,,,,,
100.016.309,217-938-3,2013-58-3,Meclocycline,"7-chloro-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,"InChI=1/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)",C22H21ClN2O8,,,,,,GGQJXCQBBONZFX-IWVLMIASSA-N,,,,,,,,,,,
100.016.315,217-945-1,2015-56-7,Diphenyl phosphoramidate,diphenyl amidophosphate,NP(=O)(Oc1ccccc1)Oc2ccccc2,NP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C12H12NO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H2,13,14)",C12H12NO3P,,,,,,QWMUDOFWQWBHFI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.317,217-947-2,9/05/2016,"1,1-bis(cyclohexyloxy)trimethylamine","1,1-bis(cyclohexyloxy)-N,N-dimethylmethanamine",CN(C)C(OC1CCCCC1)OC2CCCCC2,CN(C)C(OC1CCCCC1)OC2CCCCC2,"InChI=1/C15H29NO2/c1-16(2)15(17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h13-15H,3-12H2,1-2H3",C15H29NO2,,,,,,GCCBITPXNLHRFH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.708,221-678-6,3184-13-2,"L-(+)-2,5-diaminopentanoic acid",ornithine,NCCCC(N)C(=O)O,NCCCC(N)C(=O)O,"InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",C5H12N2O2.ClH,,,,,,AHLPHDHHMVZTML-UHFFFAOYSA-N,,,,,,,,,,,
100.019.716,221-687-5,3188-13-4,Chloromethoxyethane,(chloromethoxy)ethane,CCOCCl,CCOCCl,"InChI=1/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3",C3H7ClO,,,,,,FCYRSDMGOLYDHL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.719,221-690-1,3189-22-8,7-methoxy-1H-indole,7-methoxy-1H-indole,COc1cccc2cc[nH]c12,COc1cccc2cc[nH]c12,"InChI=1/C9H9NO/c1-11-8-4-2-3-7-5-6-10-9(7)8/h2-6,10H,1H3",C9H9NO,,,,,,FSOPPXYMWZOKRM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.720,221-691-7,3189-43-3,Oxiranetetracarbonitrile,"oxirane-2,2,3,3-tetracarbonitrile",N#CC1(OC1(C#N)C#N)C#N,N#CC1(OC1(C#N)C#N)C#N,"InChI=1/C6N4O/c7-1-5(2-8)6(3-9,4-10)11-5",C6N4O,,,,,,YWXLYZIZWVOMML-UHFFFAOYSA-N,,,,,,,,,,,
100.019.725,221-696-4,3195-24-2,Diethyl diallylmalonate,diethyl diallylmalonate,CCOC(=O)C(CC=C)(CC=C)C(=O)OCC,CCOC(=O)C(CC=C)(CC=C)C(=O)OCC,"InChI=1/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3",C13H20O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6504,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.725,LYUUVYQGUMRKOV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.727,221-699-0,3196-15-4,Methyl 2-bromobutyrate,methyl 2-bromobutanoate,CCC(Br)C(=O)OC,CCC(Br)C(=O)OC,"InChI=1/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3",C5H9BrO2,,,,,,UFQQDNMQADCHGH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.905,225-196-7,4708-07-0,Styrylphosphonic dichloride,(2-phenylvinyl)phosphonic dichloride,ClP(=O)(Cl)\\C=C\\c1ccccc1,ClP(=O)(Cl)\C=C\c1ccccc1,"InChI=1/C8H7Cl2OP/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H",C8H7Cl2OP,,,,,,JZCWUZUUPGUVRB-VOTSOKGWSA-N,,,,,,,,,,,
100.022.919,225-211-7,4720-86-9,"3,4,5,6-tetrahydrophthalimide","4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione",O=C1NC(=O)C2=C1CCCC2,O=C1NC(=O)C2=C1CCCC2,"InChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)",C8H9NO2,,,,,,AFJWMGOTLUUGHF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.921,225-213-8,4722-68-3,"2-methyl-1,4-dioxaspiro[4.5]decane","2-methyl-1,4-dioxaspiro[4.5]decane",CC1COC2(CCCCC2)O1,CC1COC2(CCCCC2)O1,"InChI=1/C9H16O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h8H,2-7H2,1H3",C9H16O2,,,,,,LKGNKCNAPNUZCM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.924,225-216-4,4724-47-4,Octadecylphosphonic acid,octadecylphosphonic acid,CCCCCCCCCCCCCCCCCCP(=O)(O)O,CCCCCCCCCCCCCCCCCCP(=O)(O)O,"InChI=1/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)",C18H39O3P,,,,,,FTMKAMVLFVRZQX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.928,225-221-1,4727-17-7,Cyclopentadecan-1-ol,cyclopentadecanol,OC1CCCCCCCCCCCCCC1,OC1CCCCCCCCCCCCCC1,"InChI=1/C15H30O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h15-16H,1-14H2",C15H30O,,,,,,FFVHXGZXDRXFLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.695,215-064-7,1282-85-5,Isodecylamine,8-methylnonan-1-amine,CC(C)CCCCCCCN,CC(C)CCCCCCCN,"InChI=1/C10H23N/c1-10(2)8-6-4-3-5-7-9-11/h10H,3-9,11H2,1-2H3",C10H23N,,,,,,LJQFHDUFUVMPSP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.697,215-066-8,1291-32-3,Bis(3-cyclopentadienyl)dichlorozirconium,"dichloro(dicyclopenta-1,4-dien-1-yl)zirconium",Cl[Zr](Cl)(C1=CCC=C1)C2=CCC=C2,Cl[Zr](Cl)(C1=CCC=C1)C2=CCC=C2,"InChI=1/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-2,5H,3H2;2*1H;/q;;;;+2/p-2/rC10H10Cl2Zr/c11-13(12,9-5-1-2-6-9)10-7-3-4-8-10/h1,3,5-8H,2,4H2",C10H10Cl2Zr,,,,,,AWLIVPBWHCIJTK-UHFFFAOYSA-L,,,,,,,,,,,
100.013.708,215-078-3,1300-23-8,Dilithium glycerophosphate,"dilithium 2,3-dihydroxypropyl phosphate",[Li+].[Li+].OCC(O)COP(=O)([O-])[O-],[Li+].[Li+].OCC(O)COP(=O)([O-])[O-],"InChI=1/C3H9O6P.2Li/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",C3H9O6P.2Li,,,,,,JZJVSRKZXGLAMI-UHFFFAOYSA-L,,,,,,,,,,,
100.013.713,215-084-6,1300-37-4,Barium bis(hydroxybenzenesulphonate),barium bis(2-hydroxybenzenesulfonate),[Ba+2].Oc1ccccc1S(=O)(=O)[O-].Oc2ccccc2S(=O)(=O)[O-],[Ba+2].Oc1ccccc1S(=O)(=O)[O-].Oc2ccccc2S(=O)(=O)[O-],"InChI=1/2C6H6O4S.Ba/c2*7-5-3-1-2-4-6(5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2",C6H6O4S.1/2Ba,,,,,,SAMQGYDWPDZOHP-UHFFFAOYSA-L,,,,,,,,,,,
100.013.715,215-086-7,1300-47-6,Lithium hydroxybenzenesulphonate,lithium 2-hydroxybenzenesulfonate,[Li+].Oc1ccccc1S(=O)(=O)[O-],[Li+].Oc1ccccc1S(=O)(=O)[O-],"InChI=1/C6H6O4S.Li/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1",C6H6O4S.Li,,,,,,PCDGNXMXHOIMEH-UHFFFAOYSA-M,,,,,,,,,,,
100.013.716,215-087-2,1300-51-2,Sodium hydroxybenzenesulphonate,sodium 2-hydroxybenzenesulfonate,[Na+].Oc1ccccc1S(=O)(=O)[O-],[Na+].Oc1ccccc1S(=O)(=O)[O-],"InChI=1/C6H6O4S.Na/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1",C6H6O4S.Na,,,,,,BLXAGSNYHSQSRC-UHFFFAOYSA-M,,,,,,,,,,,
100.013.718,215-089-3,1300-71-6,Xylenol,"2,6-dimethylphenol",Cc1cccc(C)c1O,Cc1cccc(C)c1O,"InChI=1/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",C8H10O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17240,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.718,NXXYKOUNUYWIHA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.720,215-091-4,1300-73-8,Xylidine,"2,3-dimethylaniline",Cc1cccc(N)c1C,Cc1cccc(N)c1C,"InChI=1/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3",C8H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5724,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.720,VVAKEQGKZNKUSU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.741,215-114-8,1303-00-0,Gallium arsenide,arsinidynegallium,[Ga]#[As],[Ga]#[As],InChI=1/As.Ga/rAsGa/c1-2,AsGa,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13885,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.741,JBRZTFJDHDCESZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.468,228-014-4,6079-76-1,4-benzyloxy-2-hydroxybenzophenone,[4-(benzyloxy)-2-hydroxyphenyl](phenyl)methanone,Oc1cc(OCc2ccccc2)ccc1C(=O)c3ccccc3,Oc1cc(OCc2ccccc2)ccc1C(=O)c3ccccc3,"InChI=1/C20H16O3/c21-19-13-17(23-14-15-7-3-1-4-8-15)11-12-18(19)20(22)16-9-5-2-6-10-16/h1-13,21H,14H2",C20H16O3,,,,,,SXJSETSRWNDWPP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.469,228-016-5,6079-89-6,"2',2'-dimethylstearohydrazide","N',N'-dimethyloctadecanehydrazide",CCCCCCCCCCCCCCCCCC(=O)NN(C)C,CCCCCCCCCCCCCCCCCC(=O)NN(C)C,"InChI=1/C20H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)21-22(2)3/h4-19H2,1-3H3,(H,21,23)",C20H42N2O,,,,,,DFSWIGZHDPHBRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.474,228-021-2,6087-56-5,4-(dimethylamino)benzenediazonium trichlorozincate,4-(dimethylamino)benzenediazonium trichlorozincate(1-),CN(C)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl,CN(C)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C8H10N3.3ClH.Zn/c1-11(2)8-5-3-7(10-9)4-6-8;;;;/h3-6H,1-2H3;3*1H;/q+1;;;;+2/p-3/rC8H10N3.Cl3Zn/c1-11(2)8-5-3-7(10-9)4-6-8;1-4(2)3/h3-6H,1-2H3;/q+1;-1",C8H10N3.Cl3Zn,,,,,,SIMFPAVQCFHVGM-UHFFFAOYSA-K,,,,,,,,,,,
100.026.266,228-892-9,6370-93-0,"Tetrasodium 9,10-dihydro-1,5-dihydroxy-9,10-dioxo-4,8-bis[(sulphonatomethyl)amino]anthracene-2,6-disulphonate","tetrasodium 1,5-dihydroxy-9,10-dioxo-4,8-bis[(sulfonatomethyl)amino]-9,10-dihydroanthracene-2,6-disulfonate",[Na+].[Na+].[Na+].[Na+].Oc1c2C(=O)c3c(NCS(=O)(=O)[O-])cc(c(O)c3C(=O)c2c(NCS(=O)(=O)[O-])cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].Oc1c2C(=O)c3c(NCS(=O)(=O)[O-])cc(c(O)c3C(=O)c2c(NCS(=O)(=O)[O-])cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H14N2O16S4.4Na/c19-13-7(37(29,30)31)1-5(17-3-35(23,24)25)9-11(13)16(22)10-6(18-4-36(26,27)28)2-8(38(32,33)34)14(20)12(10)15(9)21;;;;/h1-2,17-20H,3-4H2,(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);;;;/q;4*+1/p-4",C16H14N2O16S4.4Na,,,,,,JSDXKZGBEIYAFT-UHFFFAOYSA-J,,,,,,,,,,,
100.026.275,228-902-1,6372-40-3,Isopropyldiphenylphosphine,isopropyl(diphenyl)phosphine,CC(C)P(c1ccccc1)c2ccccc2,CC(C)P(c1ccccc1)c2ccccc2,"InChI=1/C15H17P/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3",C15H17P,,,,,,LLZAIAIZAVMQIG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.277,228-904-2,6372-42-5,Cyclohexyldiphenylphosphine,cyclohexyl(diphenyl)phosphine,C1CCC(CC1)P(c2ccccc2)c3ccccc3,C1CCC(CC1)P(c2ccccc2)c3ccccc3,"InChI=1/C18H21P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2",C18H21P,,,,,,ZXKWUYWWVSKKQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.282,228-910-5,6373-10-0,Calcium bis[5-hydroxy-6-(naphthylazo)naphthalenesulphonate],calcium bis[5-hydroxy-6-(1-naphthyldiazenyl)naphthalene-1-sulfonate],[Ca+2].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc2cccc1ccccc12)c3O.[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc2cccc1ccccc12)c3O,[Ca+2].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc2cccc1ccccc12)c3O.[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc2cccc1ccccc12)c3O,"InChI=1/2C20H14N2O4S.Ca/c2*23-20-16-8-4-10-19(27(24,25)26)15(16)11-12-18(20)22-21-17-9-3-6-13-5-1-2-7-14(13)17;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2",C20H14N2O4S.1/2Ca,,,,,,ZFKUYTWKBCZOQB-UHFFFAOYSA-L,,,,,,,,,,,
100.026.283,228-911-0,6373-14-4,(2-amino-5-nitrophenoxy)acetic acid,(2-amino-5-nitrophenoxy)acetic acid,Nc1ccc(cc1OCC(=O)O)[N+](=O)[O-],Nc1ccc(cc1OCC(=O)O)[N+](=O)[O-],"InChI=1/C8H8N2O5/c9-6-2-1-5(10(13)14)3-7(6)15-4-8(11)12/h1-3H,4,9H2,(H,11,12)",C8H8N2O5,,,,,,PTWOVXXBGGTVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.285,228-913-1,6373-16-6,1-hydroxy-4-(methylamino)anthraquinone,"1-hydroxy-4-(methylamino)-9,10-anthraquinone",CNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C15H11NO3/c1-16-10-6-7-11(17)13-12(10)14(18)8-4-2-3-5-9(8)15(13)19/h2-7,16-17H,1H3",C15H11NO3,,,,,,CLSZOXOVVBCADB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.290,228-918-9,6373-50-8,4-cyclohexylaniline,4-cyclohexylaniline,Nc1ccc(cc1)C2CCCCC2,Nc1ccc(cc1)C2CCCCC2,"InChI=1/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5,13H2",C12H17N,,,,,,JLNMBIKJQAKQBH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.292,228-921-5,6373-74-6,"Sodium 2-anilino-5-(2,4-dinitroanilino)benzenesulphonate","sodium 2-anilino-5-[(2,4-dinitrophenyl)amino]benzenesulfonate",[Na+].[O-][N+](=O)c1ccc(Nc2ccc(Nc3ccccc3)c(c2)S(=O)(=O)[O-])c(c1)[N+](=O)[O-],[Na+].[O-][N+](=O)c1ccc(Nc2ccc(Nc3ccccc3)c(c2)S(=O)(=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C18H14N4O7S.Na/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12;/h1-11,19-20H,(H,27,28,29);/q;+1/p-1",C18H14N4O7S.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11301,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.292,KKBFCPLWFWQNFB-UHFFFAOYSA-M,,,,,,,,,,,
100.026.295,228-924-1,6373-95-1,"N,N-diethyl-4-[(2-methoxy-4-nitrophenyl)azo]aniline","N,N-diethyl-4-[(2-methoxy-4-nitrophenyl)diazenyl]aniline",COc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC)[N+]([O-])=O,COc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC)[N+]([O-])=O,"InChI=1/C17H20N4O3/c1-4-20(5-2)14-8-6-13(7-9-14)18-19-16-11-10-15(21(22)23)12-17(16)24-3/h6-12H,4-5H2,1-3H3",C17H20N4O3,,,,,,SXHUBOLNSOIMCA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.301,228-930-4,9/05/6375,5-amino-4-methoxy-2-nitrobenzenesulphonic acid,5-amino-4-methoxy-2-nitrobenzenesulfonic acid,COc1cc(c(cc1N)S(=O)(=O)O)[N+](=O)[O-],COc1cc(c(cc1N)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C7H8N2O6S/c1-15-6-3-5(9(10)11)7(2-4(6)8)16(12,13)14/h2-3H,8H2,1H3,(H,12,13,14)",C7H8N2O6S,,,,,,QQSSZTDQUIRFNT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.302,228-932-5,1/07/6375,5-amino-2-phenoxybenzenesulphonic acid,5-amino-2-phenoxybenzenesulfonic acid,Nc1ccc(Oc2ccccc2)c(c1)S(=O)(=O)O,Nc1ccc(Oc2ccccc2)c(c1)S(=O)(=O)O,"InChI=1/C12H11NO4S/c13-9-6-7-11(12(8-9)18(14,15)16)17-10-4-2-1-3-5-10/h1-8H,13H2,(H,14,15,16)",C12H11NO4S,,,,,,HMZGLFZBAKZORS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.303,228-933-0,6375-16-2,N-(3-amino-4-methylphenyl)acetamide,N-(3-amino-4-methylphenyl)acetamide,CC(=O)Nc1ccc(C)c(N)c1,CC(=O)Nc1ccc(C)c(N)c1,"InChI=1/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)",C9H12N2O,,,,,,RBQWGHBZCHFUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.304,228-934-6,6375-17-3,N-(2-hydroxy-5-methylphenyl)acetamide,N-(2-hydroxy-5-methylphenyl)acetamide,CC(=O)Nc1cc(C)ccc1O,CC(=O)Nc1cc(C)ccc1O,"InChI=1/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)",C9H11NO2,,,,,,DSEQJUPGRWESKP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.498,230-247-1,6982-94-1,"Tris(3,7-dimethyloct-6-enyl)aluminium","tris(3,7-dimethyloct-6-en-1-yl)aluminum",CC(CCC=C(C)C)CC[Al](CCC(C)CCC=C(C)C)CCC(C)CCC=C(C)C,CC(CCC=C(C)C)CC[Al](CCC(C)CCC=C(C)C)CCC(C)CCC=C(C)C,"InChI=1/3C10H19.Al/c3*1-5-10(4)8-6-7-9(2)3;/h3*7,10H,1,5-6,8H2,2-4H3;/rC30H57Al/c1-25(2)13-10-16-28(7)19-22-31(23-20-29(8)17-11-14-26(3)4)24-21-30(9)18-12-15-27(5)6/h13-15,28-30H,10-12,16-24H2,1-9H3",C30H57Al,,,,,,MDEQTZWVOFXNBY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.880,214-167-4,1106-03-2,"17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,11,20-trione 21-acetate","17-hydroxy-16-methyl-3,11,20-trioxopregna-1,4-dien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-22(15,3)21(17)19(27)11-23(18,4)24(13,29)20(28)12-30-14(2)25/h7-8,10,13,17-18,21,29H,5-6,9,11-12H2,1-4H3",C24H30O6,,,,,,RZAMUHXEOMZXET-ABQXZQTJSA-N,,,,,,,,,,,
100.012.885,214-173-7,1109-11-1,Ethyl 8'-apo-ß-caroten-8'-oate,"ethyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate",CCOC(=O)\\C(=C\\C=C\\C(=C\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C)\\C)\\C,CCOC(=O)\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)\C)\C,"InChI=1/C32H44O2/c1-9-34-31(33)29(6)20-13-19-26(3)16-11-10-15-25(2)17-12-18-27(4)22-23-30-28(5)21-14-24-32(30,7)8/h10-13,15-20,22-23H,9,14,21,24H2,1-8H3",C32H44O2,,,,,,GIRXTOSJOKKBHO-BQTUIHPCSA-N,,,,,,,,,,,
100.012.889,214-177-9,1110-87-8,"N,1-bis[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-histidine","N,1-bis{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-histidine",CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3cn(cn3)S(=O)(=O)c4cccc5c(cccc45)N(C)C)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3cn(cn3)S(=O)(=O)c4cccc5c(cccc45)N(C)C)C(=O)O,"InChI=1/C30H31N5O6S2/c1-33(2)26-13-5-11-23-21(26)9-7-15-28(23)42(38,39)32-25(30(36)37)17-20-18-35(19-31-20)43(40,41)29-16-8-10-22-24(29)12-6-14-27(22)34(3)4/h5-16,18-19,25,32H,17H2,1-4H3,(H,36,37)",C30H31N5O6S2,,,,,,MGGBLGOJSSYITF-VWLOTQADSA-N,,,,,,,,,,,
100.012.899,214-188-9,1111-97-3,3-chloro-3-methylbut-1-yne,3-chloro-3-methylbut-1-yne,CC(C)(Cl)C#C,CC(C)(Cl)C#C,"InChI=1/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3",C5H7Cl,,,,,,QSILYWCNPOLKPN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.900,214-189-4,1112-39-6,Dimethoxydimethylsilane,dimethoxy(dimethyl)silane,CO[Si](C)(C)OC,CO[Si](C)(C)OC,"InChI=1/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3",C4H12O2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13186,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.900,JJQZDUKDJDQPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.907,214-197-8,1113-02-6,Omethoate,"O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] thiophosphate",CNC(=O)CSP(=O)(OC)OC,CNC(=O)CSP(=O)(OC)OC,"InChI=1/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)",C5H12NO4PS,,,,,,PZXOQEXFMJCDPG-UHFFFAOYSA-N,Positive,AU302701|AU302702|AU302703|AU302704|AU302705,[M+H]+,CID10|CID20|CID30|CID40|CID50,214.0307:182.9882:196.02|124.9823:154.9931:142.993|124.9826:142.9932:154.9931|124.9826:142.9931:127.0156|124.9825:142.9929:127.0157,Athens_Univ,,,,,
100.012.908,214-198-3,1113-10-6,Guancidine,"2-cyano-1-(1,1-dimethylpropyl)guanidine",NC(NC(C)(C)CC)=NC#N,NC(NC(C)(C)CC)=NC#N,"InChI=1/C7H14N4/c1-4-7(2,3)11-6(9)10-5-8/h4H2,1-3H3,(H3,9,10,11)",C7H14N4,,,,,,VZVGEDRCVUKSEL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.918,214-209-1,1113-78-6,Tri-sec-butylborane,tri-sec-butylborane,CCC(C)B(C(C)CC)C(C)CC,CCC(C)B(C(C)CC)C(C)CC,"InChI=1/C12H27B/c1-7-10(4)13(11(5)8-2)12(6)9-3/h10-12H,7-9H2,1-6H3",C12H27B,,,,,,YUPAWYWJNZDARM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.142,229-856-5,6789-88-4,Hexyl benzoate,hexyl benzoate,CCCCCCOC(=O)c1ccccc1,CCCCCCOC(=O)c1ccccc1,"InChI=1/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3",C13H18O2,,,,,,UUGLJVMIFJNVFH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.144,229-858-6,6789-99-7,"4,5,6,7-tetrahydro-1H-benzotriazole","4,5,6,7-tetrahydro-1H-benzotriazole",C1CCc2[nH]nnc2C1,C1CCc2[nH]nnc2C1,"InChI=1/C6H9N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H2,(H,7,8,9)",C6H9N3,,,,,,CKRLKUOWTAEKKX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.156,229-871-7,6797-90-6,"Disodium 2,2'-[(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)imino]]bis(5-nitrobenzenesulphonate)","disodium 2,2'-{(2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)imino]}bis(5-nitrobenzenesulfonate)",[Na+].[Na+].CC1=C(Nc2ccc(Nc3ccc(cc3S(=O)(=O)[O-])[N+](=O)[O-])c(C)c2)C(=O)C=C(Nc4ccc(Nc5ccc(cc5S(=O)(=O)[O-])[N+](=O)[O-])c(C)c4)C1=O,[Na+].[Na+].CC1=C(Nc2ccc(Nc3ccc(cc3S(=O)(=O)[O-])[N+](=O)[O-])c(C)c2)C(=O)C=C(Nc4ccc(Nc5ccc(cc5S(=O)(=O)[O-])[N+](=O)[O-])c(C)c4)C1=O,"InChI=1/C33H28N6O12S2.2Na/c1-17-12-20(4-8-24(17)36-26-10-6-22(38(42)43)14-30(26)52(46,47)48)34-28-16-29(40)32(19(3)33(28)41)35-21-5-9-25(18(2)13-21)37-27-11-7-23(39(44)45)15-31(27)53(49,50)51;;/h4-16,34-37H,1-3H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2",C33H28N6O12S2.2Na,,,,,,AWJHVMYRVWFPNX-UHFFFAOYSA-L,,,,,,,,,,,
100.027.162,229-878-5,6802-76-2,Ethyl cyanocyclohexylideneacetate,ethyl cyano(cyclohexylidene)acetate,CCOC(=O)C(=C1CCCCC1)C#N,CCOC(=O)C(=C1CCCCC1)C#N,"InChI=1/C11H15NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h2-7H2,1H3",C11H15NO2,,,,,,PZAJJZJKRVXKCS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.172,229-889-5,6814-36-4,Mannuronic acid,D-mannuronic acid,O[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O,O[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O,"InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)",C6H10O7,,,,,,IAJILQKETJEXLJ-MBMOQRBOSA-N,,,,,,,,,,,
100.027.174,229-891-6,6818-37-7,Olaflur,2-[{3-[bis(2-hydroxyethyl)amino]propyl}(octadecyl)amino]ethanol dihydrofluoride,F.F.CCCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO,F.F.CCCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO,"InChI=1/C27H58N2O3.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(22-25-30)20-18-21-29(23-26-31)24-27-32;;/h30-32H,2-27H2,1H3;2*1H",C27H58N2O3.2FH,,,,,,ZVVSSOQAYNYNPP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.734,221-707-2,3204-68-0,"N-benzyl-N,N-dimethylanilinium chloride","N-benzyl-N,N-dimethylanilinium chloride",[Cl-].C[N+](C)(Cc1ccccc1)c2ccccc2,[Cl-].C[N+](C)(Cc1ccccc1)c2ccccc2,"InChI=1/C15H18N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1",C15H18N.Cl,,,,,,QLRKASHXFNIPLZ-UHFFFAOYSA-M,,,,,,,,,,,
100.019.737,221-710-9,3206-73-3,5-(dithiolan-3-yl)valeramide,"5-(1,2-dithiolan-3-yl)pentanamide",NC(=O)CCCCC1CCSS1,NC(=O)CCCCC1CCSS1,"InChI=1/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)",C8H15NOS2,,,,,,FCCDDURTIIUXBY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.739,221-713-5,3/12/3207,"(2-hydroxy-1,1-dimethylethyl)ammonium chloride",1-hydroxy-2-methylpropan-2-aminium chloride,[Cl-].CC(C)([NH3+])CO,[Cl-].CC(C)([NH3+])CO,"InChI=1/C4H11NO.ClH/c1-4(2,5)3-6;/h6H,3,5H2,1-2H3;1H",C4H11NO.ClH,,,,,,PMZIUAOBHNJYQT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.125,224-336-4,4316-66-9,Diethylmethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium methyl sulphate,N-[2-(methacryloyloxy)ethyl]pentan-3-aminium methyl sulfate,CCC(CC)[NH2+]CCOC(=O)C(=C)C.COS(=O)(=O)[O-],CCC(CC)[NH2+]CCOC(=O)C(=C)C.COS(=O)(=O)[O-],"InChI=1/C11H21NO2.CH4O4S/c1-5-10(6-2)12-7-8-14-11(13)9(3)4;1-5-6(2,3)4/h10,12H,3,5-8H2,1-2,4H3;1H3,(H,2,3,4)",C11H22NO2.CH3O4S,,,,,,KZAUHAFARZNLFF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.288,225-616-9,4971-48-6,"5-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid","5-(3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid",CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c2ccc(Oc3ccccc3)c(c2)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c2ccc(Oc3ccccc3)c(c2)S(=O)(=O)O,"InChI=1/C32H46N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27-25-32(35)34(33-27)28-23-24-30(31(26-28)40(36,37)38)39-29-21-18-16-19-22-29/h16,18-19,21-24,26H,2-15,17,20,25H2,1H3,(H,36,37,38)",C32H46N2O5S,,,,,,NUVIBPSQTHIMKV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.290,225-619-5,4972-68-3,1-methyl-4-phenylpiperidin-4-ol,1-methyl-4-phenylpiperidin-4-ol,CN1CCC(O)(CC1)c2ccccc2,CN1CCC(O)(CC1)c2ccccc2,"InChI=1/C12H17NO/c1-13-9-7-12(14,8-10-13)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3",C12H17NO,,,,,,JVMCZMQYJIRKRV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.292,225-621-6,4973-66-4,S-methyl toluene-p-thiosulphonate,S-methyl 4-methylbenzenesulfonothioate,CSS(=O)(=O)c1ccc(C)cc1,CSS(=O)(=O)c1ccc(C)cc1,"InChI=1/C8H10O2S2/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3",C8H10O2S2,,,,,,YSAGJMNZJWNJOL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.295,225-624-2,4977-62-2,Ethyl acetamidocyanoacetate,ethyl N-acetyl-3-nitriloalaninate,CCOC(=O)C(NC(=O)C)C#N,CCOC(=O)C(NC(=O)C)C#N,"InChI=1/C7H10N2O3/c1-3-12-7(11)6(4-8)9-5(2)10/h6H,3H2,1-2H3,(H,9,10)",C7H10N2O3,,,,,,SLIRLABNGAZSHX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.298,225-627-9,4980-53-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H9F29O2/c1-5(2)6(50)51-4-3-7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)17(41,42)18(43,44)19(45,46)20(47,48)49/h1,3-4H2,2H3",C20H9F29O2,,,,,,KLVRPMUTIRAYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.304,225-634-7,4983-39-5,4-(1-pyrrolidinyl)piperidine dihydrochloride,4-pyrrolidin-1-ylpiperidine dihydrochloride,Cl.Cl.C1CCN(C1)C2CCNCC2,Cl.Cl.C1CCN(C1)C2CCNCC2,"InChI=1/C9H18N2.2ClH/c1-2-8-11(7-1)9-3-5-10-6-4-9;;/h9-10H,1-8H2;2*1H",C9H18N2.2ClH,,,,,,GRFMIOMNQWEWHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.307,225-637-3,4984-85-4,4-hydroxyhexan-3-one,4-hydroxyhexan-3-one,CCC(O)C(=O)CC,CCC(O)C(=O)CC,"InChI=1/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3",C6H12O2,,,,,,SKCYVGUCBRYGTE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.311,225-642-0,4985-85-7,N-(3-aminopropyl)iminodiethanol,"1,1'-[(3-aminopropyl)imino]diethanol",CC(O)N(CCCN)C(C)O,CC(O)N(CCCN)C(C)O,"InChI=1/C7H18N2O2/c1-6(10)9(7(2)11)5-3-4-8/h6-7,10-11H,3-5,8H2,1-2H3",C7H18N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5587,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.311,OAYRSNABAHJNOH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.314,225-645-7,4987-75-1,Isopropyl bis(hydroxymethyl)carbamate,isopropyl bis(hydroxymethyl)carbamate,CC(C)OC(=O)N(CO)CO,CC(C)OC(=O)N(CO)CO,"InChI=1/C6H13NO4/c1-5(2)11-6(10)7(3-8)4-9/h5,8-9H,3-4H2,1-2H3",C6H13NO4,,,,,,DSMDTSQLIDMSDR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.316,225-647-8,4988-32-3,"4-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonic acid","2-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzenesulfonic acid",Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)O,Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)O,"InChI=1/C21H15BrN2O5S/c1-10-6-7-14(16(8-10)30(27,28)29)24-15-9-13(22)19(23)18-17(15)20(25)11-4-2-3-5-12(11)21(18)26/h2-9,24H,23H2,1H3,(H,27,28,29)",C21H15BrN2O5S,,,,,,GQTWYYLBEROHDB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.321,225-653-0,4991-65-5,Tioxolone,"6-hydroxy-1,3-benzoxathiol-2-one",Oc1ccc2SC(=O)Oc2c1,Oc1ccc2SC(=O)Oc2c1,"InChI=1/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H",C7H4O3S,,,,,,SLYPOVJCSQHITR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.478,228-025-4,6088-51-3,"6,6'-dithiodi-2-naphthol","6,6'-disulfanediyldi(2-naphthol)",Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,"InChI=1/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H",C20H14O2S2,,,,,,AHXGXXJEEHFHDK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.480,228-028-0,4/09/6089,Pent-4-ynoic acid,pent-4-ynoic acid,OC(=O)CCC#C,OC(=O)CCC#C,"InChI=1/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)",C5H6O2,,,,,,MLBYLEUJXUBIJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.483,228-031-7,9/12/6091,Physostigmine hydrochloride,"1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate hydrochloride",Cl.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1,Cl.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1,"InChI=1/C15H21N3O2.ClH/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1H",C15H21N3O2.ClH,,,,,,REPUEGIPTSPLQL-PBCQUBLHSA-N,,,,,,,,,,,
100.025.485,228-033-8,6091-44-7,Piperidinium chloride,piperidinium chloride,[Cl-].C1CC[NH2+]CC1,[Cl-].C1CC[NH2+]CC1,"InChI=1/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H",C5H11N.ClH,,,,,,VEIWYFRREFUNRC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.488,228-036-4,6092-54-2,Hexyl chloroformate,hexyl chlorocarbonate,CCCCCCOC(=O)Cl,CCCCCCOC(=O)Cl,"InChI=1/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3",C7H13ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16600,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.488,KIWBRXCOTCXSSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.489,228-038-5,6092-64-4,Propyl hydroxymethyl-carbamate,propyl hydroxy(methyl)carbamate,CCCOC(=O)N(C)O,CCCOC(=O)N(C)O,"InChI=1/C5H11NO3/c1-3-4-9-5(7)6(2)8/h8H,3-4H2,1-2H3",C5H11NO3,,,,,,WUGXIZBRANVOBT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.491,228-040-6,6093-95-4,Methyl 5-oxodecanoate,methyl 5-oxodecanoate,CCCCCC(=O)CCCC(=O)OC,CCCCCC(=O)CCCC(=O)OC,"InChI=1/C11H20O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h3-9H2,1-2H3",C11H20O3,,,,,,IMUCAHOFGPVTBF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.492,228-041-1,6/02/6094,2-methylhex-1-ene,2-methylhex-1-ene,CCCCC(=C)C,CCCCC(=C)C,"InChI=1/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3",C7H14,,,,,,IRUDSQHLKGNCGF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.495,228-044-8,6094-81-1,Bis(2-aminoethyl) hydrogen phosphate,bis(2-aminoethyl) hydrogen phosphate,NCCOP(=O)(O)OCCN,NCCOP(=O)(O)OCCN,"InChI=1/C4H13N2O4P/c5-1-3-9-11(7,8)10-4-2-6/h1-6H2,(H,7,8)",C4H13N2O4P,,,,,,UZKVIEIYYUANJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.127,229-839-2,5/09/6779,Ethylphosphonic acid,ethylphosphonic acid,CCP(=O)(O)O,CCP(=O)(O)O,"InChI=1/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)",C2H7O3P,,,,,,GATNOFPXSDHULC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.129,229-841-3,6780-49-0,Ethyl N-phenylformimidate,ethyl phenylimidoformate,CCOC=Nc1ccccc1,CCOC=Nc1ccccc1,"InChI=1/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3",C9H11NO,,,,,,DRDBNKYFCOLNQO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.130,229-842-9,6781-42-6,"Benzene-1,3-bis(acetyl)","1,1'-(1,3-phenylene)diethanone",CC(=O)c1cccc(c1)C(=O)C,CC(=O)c1cccc(c1)C(=O)C,"InChI=1/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3",C10H10O2,,,,,,VCHOFVSNWYPAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.131,229-843-4,6781-98-2,"2-chloro-1,3-dimethylbenzene","2-chloro-1,3-dimethylbenzene",Cc1cccc(C)c1Cl,Cc1cccc(C)c1Cl,"InChI=1/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3",C8H9Cl,,,,,,VDXLAYAQGYCQEO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.132,229-845-5,3/08/6784,"4,7,7-trimethyl-6-thiabicyclo[3.2.1]oct-3-ene","4,7,7-trimethyl-6-thiabicyclo[3.2.1]oct-3-ene",CC1=CCC2CC1SC2(C)C,CC1=CCC2CC1SC2(C)C,"InChI=1/C10H16S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16S,,,,,,ODZMYNHWVMNAFY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.134,229-847-6,6784-61-8,1-piperidinoacetone,1-piperidin-1-ylacetone,CC(=O)CN1CCCCC1,CC(=O)CN1CCCCC1,"InChI=1/C8H15NO/c1-8(10)7-9-5-3-2-4-6-9/h2-7H2,1H3",C8H15NO,,,,,,WAPBWMNFSOOTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.136,229-849-7,6785-62-2,17ß-hydroxyestr-4-en-3-one 17-(3-carboxypropionate),4-oxo-4-[(3-oxoestr-4-en-17-yl)oxy]butanoic acid,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O,"InChI=1/C22H30O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h12,15-19H,2-11H2,1H3,(H,24,25)",C22H30O5,,,,,,IRQUJNVGEAJGSD-WUOGMODZSA-N,,,,,,,,,,,
100.027.137,229-850-2,6786-36-3,1-phenyloctadecan-1-one,1-phenyloctadecan-1-one,CCCCCCCCCCCCCCCCCC(=O)c1ccccc1,CCCCCCCCCCCCCCCCCC(=O)c1ccccc1,"InChI=1/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3",C24H40O,,,,,,DBLXXVQTWJFJFI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.654,216-119-8,1502-06-3,Cyclodecanone,cyclodecanone,O=C1CCCCCCCCC1,O=C1CCCCCCCCC1,InChI=1/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2,C10H18O,,,,,,SXOZDDAFVJANJP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.661,216-127-1,1503-54-4,O-acetyl-5-iodosalicylic acid,2-acetoxy-5-iodobenzoic acid,O=C(C)Oc1ccc(I)cc1C(O)=O,O=C(C)Oc1ccc(I)cc1C(O)=O,"InChI=1/C9H7IO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)",C9H7IO4,,,,,,WZHXVERXLFPQCU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.914,228-504-8,6283-92-7,Dodecyl lactate,dodecyl 2-hydroxypropanoate,CCCCCCCCCCCCOC(=O)C(C)O,CCCCCCCCCCCCOC(=O)C(C)O,"InChI=1/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3",C15H30O3,,,,,,QQQMUBLXDAFBRH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.916,228-506-9,6284-40-8,Meglumine,1-deoxy-1-(methylamino)-D-glucitol,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3",C7H17NO5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18480,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.916,MBBZMMPHUWSWHV-BDVNFPICSA-N,,,,,,,,,,,
100.025.917,228-507-4,6284-43-1,"2,3-dihydroxypropyl 12-hydroxyoctadecanoate","2,3-dihydroxypropyl 12-hydroxyoctadecanoate",CCCCCCC(O)CCCCCCCCCCC(=O)OCC(O)CO,CCCCCCC(O)CCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H42O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h19-20,22-24H,2-18H2,1H3",C21H42O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12230,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.917,RVNAQNUKCZKJCP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.919,228-510-0,6284-83-9,"1,3,5-trichloro-2,4-dinitrobenzene","1,3,5-trichloro-2,4-dinitrobenzene",[O-][N+](=O)c1c(Cl)cc(Cl)c(c1Cl)[N+](=O)[O-],[O-][N+](=O)c1c(Cl)cc(Cl)c(c1Cl)[N+](=O)[O-],InChI=1/C6HCl3N2O4/c7-2-1-3(8)6(11(14)15)4(9)5(2)10(12)13/h1H,C6HCl3N2O4,,,,,,BPMOJGOPWSCNHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.920,228-511-6,8/05/6285,4'-chloropropiophenone,1-(4-chlorophenyl)propan-1-one,CCC(=O)c1ccc(Cl)cc1,CCC(=O)c1ccc(Cl)cc1,"InChI=1/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",C9H9ClO,,,,,,ADCYRBXQAJXJTD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.924,228-515-8,6286-28-8,"6-(1,1,3,3-tetramethylbutyl)-2,4-xylenol","2,4-dimethyl-6-(1,1,3,3-tetramethylbutyl)phenol",Cc1cc(C)c(O)c(c1)C(C)(C)CC(C)(C)C,Cc1cc(C)c(O)c(c1)C(C)(C)CC(C)(C)C,"InChI=1/C16H26O/c1-11-8-12(2)14(17)13(9-11)16(6,7)10-15(3,4)5/h8-9,17H,10H2,1-7H3",C16H26O,,,,,,ZXLSNLZXWMSDNF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.925,228-516-3,6286-30-2,"2,3-dibromo-3-phenylpropionic acid","2,3-dibromo-3-phenylpropanoic acid",OC(=O)C(Br)C(Br)c1ccccc1,OC(=O)C(Br)C(Br)c1ccccc1,"InChI=1/C9H8Br2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13)",C9H8Br2O2,,,,,,FXJWTHBNVZNQQP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.926,228-517-9,6286-56-2,Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate,ethyl 2-cyano-3-(1H-indol-3-yl)acrylate,CCOC(=O)\\C(=C/c1c[nH]c2ccccc12)\\C#N,CCOC(=O)\C(=C/c1c[nH]c2ccccc12)\C#N,"InChI=1/C14H12N2O2/c1-2-18-14(17)10(8-15)7-11-9-16-13-6-4-3-5-12(11)13/h3-7,9,16H,2H2,1H3",C14H12N2O2,,,,,,XDRLIASMKGKPDX-YFHOEESVSA-N,,,,,,,,,,,
100.025.928,228-520-5,6287-38-3,"3,4-dichlorobenzaldehyde","3,4-dichlorobenzaldehyde",Clc1ccc(C=O)cc1Cl,Clc1ccc(C=O)cc1Cl,InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H,C7H4Cl2O,,,,,,ZWUSBSHBFFPRNE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.937,228-529-4,6289-52-7,"3-(dibutylamino)propane-1,2-diol","3-(dibutylamino)propane-1,2-diol",CCCCN(CCCC)CC(O)CO,CCCCN(CCCC)CC(O)CO,"InChI=1/C11H25NO2/c1-3-5-7-12(8-6-4-2)9-11(14)10-13/h11,13-14H,3-10H2,1-2H3",C11H25NO2,,,,,,LQMJZQGFZJSAJH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.943,228-536-2,6290-17-1,"Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate","ethyl (2,4-dimethyl-1,3-dioxolan-2-yl)acetate",CCOC(=O)CC1(C)OCC(C)O1,CCOC(=O)CC1(C)OCC(C)O1,"InChI=1/C9H16O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h7H,4-6H2,1-3H3",C9H16O4,,,,,,GSIXJEIRJVOUFB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.944,228-537-8,6290-20-6,"2-hexyl-1,3-dioxane","2-hexyl-1,3-dioxane",CCCCCCC1OCCCO1,CCCCCCC1OCCCO1,"InChI=1/C10H20O2/c1-2-3-4-5-7-10-11-8-6-9-12-10/h10H,2-9H2,1H3",C10H20O2,,,,,,DZTPGFWGNFJQFG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.946,228-539-9,6290-49-9,Methyl methoxyacetate,methyl methoxyacetate,COCC(=O)OC,COCC(=O)OC,"InChI=1/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3",C4H8O3,,,,,,QRMHDGWGLNLHMN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.948,228-542-5,6291-23-2,4-morpholinophenol,4-morpholin-4-ylphenol,Oc1ccc(cc1)N2CCOCC2,Oc1ccc(cc1)N2CCOCC2,"InChI=1/C10H13NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h1-4,12H,5-8H2",C10H13NO2,,,,,,GPPRMDWJKBFBMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.950,228-544-6,6291-84-5,3-aminopropylmethylamine,"N-methylpropane-1,3-diamine",CNCCCN,CNCCCN,"InChI=1/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3",C4H12N2,,,,,,QHJABUZHRJTCAR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.959,228-554-0,6293-53-4,Ammonium 2-nitrobutane-1-sulphonate,ammonium 2-nitrobutane-1-sulfonate,[NH4+].CCC(CS(=O)(=O)[O-])[N+](=O)[O-],[NH4+].CCC(CS(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C4H9NO5S.H3N/c1-2-4(5(6)7)3-11(8,9)10;/h4H,2-3H2,1H3,(H,8,9,10);1H3",C4H9NO5S.H3N,,,,,,IAYJTCDGIDYACG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.424,233-480-7,10193-96-1,"2-ethyl-2-[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate)","2,2-bis[(2-sulfanylacetoxy)methyl]butyl sulfanylacetate (non-preferred name)",CCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,CCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,"InChI=1/C12H20O6S3/c1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h19-21H,2-8H2,1H3",C12H20O6S3,,,,,,KAJBSGLXSREIHP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.175,229-892-1,6818-99-1,"3-chloro-1H-1,2,4-triazole","3-chloro-4H-1,2,4-triazole",Clc1nnc[nH]1,Clc1nnc[nH]1,"InChI=1/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)",C2H2ClN3,,,,,,QGOUKZPSCTVYLX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.178,229-895-8,6819-41-6,Sodium propanolate,sodium propan-1-olate,[Na+].CCC[O-],[Na+].CCC[O-],"InChI=1/C3H7O.Na/c1-2-3-4;/h2-3H2,1H3;/q-1;+1",C3H8O.Na,,,,,,RCOSUMRTSQULBK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.183,229-901-9,6826-44-4,"Disodium p,p'-(2,3-dihydro-2-oxo-1H-imidazole-4,5-diyl)bis(benzenesulphonate)","disodium 4,4'-(2-oxo-2,3-dihydro-1H-imidazole-4,5-diyl)dibenzenesulfonate",[Na]OS(=O)(=O)c1ccc(cc1)C2=C(NC(=O)N2)c3ccc(cc3)S(=O)(=O)O[Na],[Na]OS(=O)(=O)c1ccc(cc1)C2=C(NC(=O)N2)c3ccc(cc3)S(=O)(=O)O[Na],"InChI=1/C15H12N2O7S2.2Na/c18-15-16-13(9-1-5-11(6-2-9)25(19,20)21)14(17-15)10-3-7-12(8-4-10)26(22,23)24;;/h1-8H,(H2,16,17,18)(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/rC15H10N2Na2O7S2/c18-25-27(21,22)11-5-1-9(2-6-11)13-14(17-15(20)16-13)10-3-7-12(8-4-10)28(23,24)26-19/h1-8H,(H2,16,17,20)",C15H12N2O7S2.2Na,,,,,,APSHMRVPXPERJJ-UHFFFAOYSA-L,,,,,,,,,,,
100.014.695,216-164-3,1516-27-4,Allyltrimethylammonium chloride,"N,N,N-trimethylprop-2-en-1-aminium chloride",[Cl-].C[N+](C)(C)CC=C,[Cl-].C[N+](C)(C)CC=C,"InChI=1/C6H14N.ClH/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1",C6H14N.Cl,,,,,,TZYULTYGSBAILI-UHFFFAOYSA-M,,,,,,,,,,,
100.014.705,216-175-3,1518-58-7,Diethylammonium diethyldithiocarbamate,N-ethylethanaminium diethyldithiocarbamate,CC[NH2+]CC.CCN(CC)C(=S)[S-],CC[NH2+]CC.CCN(CC)C(=S)[S-],"InChI=1/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3",C5H11NS2.C4H11N,,,,,,NBGTWXBPCIHUQD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.706,216-176-9,1518-59-8,D-arabino-3-deoxyhexonic acid,3-deoxyhexonic acid,OCC(O)C(O)CC(O)C(=O)O,OCC(O)C(O)CC(O)C(=O)O,"InChI=1/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)",C6H12O6,,,,,,YGMNHEPVTNXLLS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.709,216-180-0,1519-21-7,2-phenylbutyric anhydride,2-phenylbutanoic anhydride,CCC(C(=O)OC(=O)C(CC)c1ccccc1)c2ccccc2,CCC(C(=O)OC(=O)C(CC)c1ccccc1)c2ccccc2,"InChI=1/C20H22O3/c1-3-17(15-11-7-5-8-12-15)19(21)23-20(22)18(4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3",C20H22O3,,,,,,NMVCQWBTTHDUQD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.711,216-182-1,1519-45-5,Ethylenebis[triphenylphosphonium] dibromide,"ethane-1,2-diylbis(triphenylphosphonium) dibromide",[Br-].[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)[P+](c4ccccc4)(c5ccccc5)c6ccccc6,[Br-].[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)[P+](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/C38H34P2.2BrH/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;;/h1-30H,31-32H2;2*1H/q+2;;/p-2",C38H34P2.2Br,,,,,,VRKRIHCAYUNAPF-UHFFFAOYSA-L,,,,,,,,,,,
100.014.716,216-187-9,1520-78-1,Chlorotrimethylplumbane,chloro(trimethyl)plumbane,C[Pb](C)(C)Cl,C[Pb](C)(C)Cl,"InChI=1/3CH3.ClH.Pb/h3*1H3;1H;/q;;;;+1/p-1/rC3H9ClPb/c1-5(2,3)4/h1-3H3",C3H9ClPb,,,,,,HPQRSQFZILKRDH-UHFFFAOYSA-M,,,,,,,,,,,
100.014.733,216-206-0,1528-42-3,Ethyl 4-acetylphenylacetate,ethyl (4-acetylphenyl)acetate,CCOC(=O)Cc1ccc(cc1)C(=O)C,CCOC(=O)Cc1ccc(cc1)C(=O)C,"InChI=1/C12H14O3/c1-3-15-12(14)8-10-4-6-11(7-5-10)9(2)13/h4-7H,3,8H2,1-2H3",C12H14O3,,,,,,UYKWAZSTKGYKOG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.988,225-287-1,4755-83-3,"1-(2,3-dihydro-1,1,2,3,3-pentamethyl-1H-inden-5-yl)ethan-1-one","1-(1,1,2,3,3-pentamethyl-2,3-dihydro-1H-inden-5-yl)ethanone",CC1C(C)(C)c2ccc(cc2C1(C)C)C(=O)C,CC1C(C)(C)c2ccc(cc2C1(C)C)C(=O)C,"InChI=1/C16H22O/c1-10(17)12-7-8-13-14(9-12)16(5,6)11(2)15(13,3)4/h7-9,11H,1-6H3",C16H22O,,,,,,DALKDFNESXMXHW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.989,225-288-7,4756-13-2,"Propane-1,2,3-trithiol","propane-1,2,3-trithiol",SCC(S)CS,SCC(S)CS,"InChI=1/C3H8S3/c4-1-3(6)2-5/h3-6H,1-2H2",C3H8S3,,,,,,UWHMFGKZAYHMDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.998,225-298-1,4760-53-6,(4-amino-2-chlorophenyl)phenylacetonitrile,(4-amino-2-chlorophenyl)(phenyl)acetonitrile,Nc1ccc(C(C#N)c2ccccc2)c(Cl)c1,Nc1ccc(C(C#N)c2ccccc2)c(Cl)c1,"InChI=1/C14H11ClN2/c15-14-8-11(17)6-7-12(14)13(9-16)10-4-2-1-3-5-10/h1-8,13H,17H2",C14H11ClN2,,,,,,ISOPQUKKXCXJIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.126,225-439-7,4849-32-5,Karbutilate,3-[(dimethylcarbamoyl)amino]phenyl tert-butylcarbamate,CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,"InChI=1/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)",C14H21N3O3,,,,,,OWNAXTAAAQTBSP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.127,225-440-2,4850-21-9,Quebrachamine,"7-ethyl-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole",CC[C@@]12CCCN(CCc3c(CC1)[nH]c4ccccc34)C2,CC[C@@]12CCCN(CCc3c(CC1)[nH]c4ccccc34)C2,"InChI=1/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3",C19H26N2,,,,,,FDNDLNFGITWTOZ-LJQANCHMSA-N,,,,,,,,,,,
100.023.128,225-441-8,4850-28-6,"(1a,2a,4ß)-1,2,4-trimethylcyclopentane","1,2,4-trimethylcyclopentane",C[C@@H]1C[C@@H](C)[C@@H](C)C1,C[C@@H]1C[C@@H](C)[C@@H](C)C1,"InChI=1/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3",C8H16,,,,,,PNUFYSGVPVMNRN-WHUPJOBBSA-N,,,,,,,,,,,
100.023.325,225-657-2,6/07/4998,"4,5-dimethoxy-2-nitrobenzoic acid","4,5-dimethoxy-2-nitrobenzoic acid",COc1cc(C(=O)O)c(cc1OC)[N+](=O)[O-],COc1cc(C(=O)O)c(cc1OC)[N+](=O)[O-],"InChI=1/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)",C9H9NO6,,,,,,WWCMFGBGMJAJRX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.328,225-660-9,4998-57-6,DL-histidine,histidine,NC(Cc1c[nH]cn1)C(=O)O,NC(Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)",C6H9N3O2,,,,,,HNDVDQJCIGZPNO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.093,217-701-4,1934-24-3,Sodium 3-(5-hydroxy-3-methyl-1-phenylpyrazol-4-ylazo)-5-chloro-2-hydroxybenzenesulphonate,sodium 5-chloro-2-hydroxy-3-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c3cc(Cl)cc(N=Nc2c(C)nn(c1ccccc1)c2O)c3O,[Na+].[O-]S(=O)(=O)c3cc(Cl)cc(N=Nc2c(C)nn(c1ccccc1)c2O)c3O,"InChI=1/C16H13ClN4O5S.Na/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26;/h2-8,22-23H,1H3,(H,24,25,26);/q;+1/p-1",C16H13ClN4O5S.Na,,,,,,UIHSFHZXSZHNKF-UHFFFAOYSA-M,,,,,,,,,,,
100.016.094,217-703-5,1934-75-4,Sodium dicyanoamide,sodium dicyanoazanide,[Na]N(C#N)C#N,[Na]N(C#N)C#N,InChI=1/C2N3.Na/c3-1-5-2-4;/q-1;+1/rC2N3Na/c3-1-5(6)2-4,C2HN3.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16824,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.094,IXBPPZBJIFNGJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.098,217-707-7,1937-19-5,Carbazamidine monohydrochloride,hydrazinecarboximidamide hydrochloride,Cl.NNC(=N)N,Cl.NNC(=N)N,"InChI=1/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H",CH6N4.ClH,,,,,,UBDZFAGVPPMTIT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.099,217-708-2,1937-34-4,"Tetrasodium 4,4'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis[5-hydroxynaphthalene-2,7-disulphonate]","tetrasodium 4-hydroxy-5-({4-[({4-[(8-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,"InChI=1/C37H32N6O17S4.4Na/c1-17-5-27(33(59-3)15-25(17)40-42-29-11-21(61(47,48)49)7-19-9-23(63(53,54)55)13-31(44)35(19)29)38-37(46)39-28-6-18(2)26(16-34(28)60-4)41-43-30-12-22(62(50,51)52)8-20-10-24(64(56,57)58)14-32(45)36(20)30;;;;/h5-16,44-45H,1-4H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4",C37H32N6O17S4.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10326,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.099,WNQPPENQFWLADQ-UHFFFAOYSA-J,,,,,,,,,,,
100.016.103,217-712-4,1937-62-8,Methyl elaidate,methyl octadec-9-enoate,CCCCCCCC\\C=C\\CCCCCCCC(=O)OC,CCCCCCCC\C=C\CCCCCCCC(=O)OC,"InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3",C19H36O2,,,,,,QYDYPVFESGNLHU-ZHACJKMWSA-N,,,,,,,,,,,
100.016.105,217-715-0,1938-32-5,"5-(chloromethyl)-6-propyl-1,3-benzodioxole","5-(chloromethyl)-6-propyl-1,3-benzodioxole",CCCc1cc2OCOc2cc1CCl,CCCc1cc2OCOc2cc1CCl,"InChI=1/C11H13ClO2/c1-2-3-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3",C11H13ClO2,,,,,,HERYYLFZPLNJDW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.112,217-722-9,1940-57-4,9-bromofluorene,9-bromo-9H-fluorene,BrC1c2ccccc2c3ccccc13,BrC1c2ccccc2c3ccccc13,"InChI=1/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H",C13H9Br,,,,,,AHCDKANCCBEQJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.113,217-723-4,1941-24-8,Tetramethylammonium nitrate,"N,N,N-trimethylmethanaminium nitrate",C[N+](C)(C)C.[O-][N+](=O)[O-],C[N+](C)(C)C.[O-][N+](=O)[O-],"InChI=1/C4H12N.NO3/c1-5(2,3)4;2-1(3)4/h1-4H3;/q+1;-1",C4H12N.NO3,,,,,,QGPVYHSXZFOSRL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.119,217-730-2,1942-45-6,Oct-4-yne,oct-4-yne,CCCC#CCCC,CCCC#CCCC,"InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3",C8H14,,,,,,GZTNBKQTTZSQNS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.122,217-733-9,9/11/1943,Trimethylnonylammonium bromide,"N,N,N-trimethylnonan-1-aminium bromide",[Br-].CCCCCCCCC[N+](C)(C)C,[Br-].CCCCCCCCC[N+](C)(C)C,"InChI=1/C12H28N.BrH/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H/q+1;/p-1",C12H28N.Br,,,,,,SSEGNMJSEROZIF-UHFFFAOYSA-M,,,,,,,,,,,
100.021.002,223-101-3,3735-78-2,3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate,3-(dimethylamino)-1-methyl-3-oxoprop-1-en-1-yl dimethyl phosphate,O=P(OC)(OC(C)=CC(=O)N(C)C)OC,O=P(OC)(OC(C)=CC(=O)N(C)C)OC,"InChI=1/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3",C8H16NO5P,,,,,,VEENJGZXVHKXNB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.006,223-106-0,3736-60-5,"3,8,9-trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one","3,8,9-trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-en-1-yl)anthracen-1(4H)-one",CC(=CCc1c(C)cc(O)c2c(O)c3C(=O)C=C(O)C(CC=C(C)C)(CC=C(C)C)c3cc12)C,CC(=CCc1c(C)cc(O)c2c(O)c3C(=O)C=C(O)C(CC=C(C)C)(CC=C(C)C)c3cc12)C,"InChI=1/C30H36O4/c1-17(2)8-9-21-20(7)14-24(31)27-22(21)15-23-28(29(27)34)25(32)16-26(33)30(23,12-10-18(3)4)13-11-19(5)6/h8,10-11,14-16,31,33-34H,9,12-13H2,1-7H3",C30H36O4,,,,,,STXNXYCDWWHABB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.662,216-128-7,1504-55-8,ß-methylcinnamyl alcohol,3-phenylbut-2-en-1-ol,C\\C(=C/CO)\\c1ccccc1,C\C(=C/CO)\c1ccccc1,"InChI=1/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3",C10H12O,,,,,,GASLYRXUZSPLGV-VQHVLOKHSA-N,,,,,,,,,,,
100.014.669,216-136-0,1506-53-2,N-dodecylacrylamide,N-dodecylacrylamide,CCCCCCCCCCCCNC(=O)C=C,CCCCCCCCCCCCNC(=O)C=C,"InChI=1/C15H29NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-15(17)4-2/h4H,2-3,5-14H2,1H3,(H,16,17)",C15H29NO,,,,,,XQPVIMDDIXCFFS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.670,216-137-6,1506-54-3,N-octadecylacrylamide,N-octadecylacrylamide,CCCCCCCCCCCCCCCCCCNC(=O)C=C,CCCCCCCCCCCCCCCCCCNC(=O)C=C,"InChI=1/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h4H,2-3,5-20H2,1H3,(H,22,23)",C21H41NO,,,,,,CNWVYEGPPMQTKA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.679,216-147-0,1510-20-9,Bis[cholest-5-en-3ß-yl] succinate,dicholest-5-en-3-yl succinate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(=O)O[C@H]5CC[C@]6(C)[C@H]7CC[C@]8(C)[C@H](CC[C@H]8[C@@H]7CC=C6C5)[C@H](C)CCCC(C)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(=O)O[C@H]5CC[C@]6(C)[C@H]7CC[C@]8(C)[C@H](CC[C@H]8[C@@H]7CC=C6C5)[C@H](C)CCCC(C)C,"InChI=1/C58H94O4/c1-37(2)13-11-15-39(5)47-21-23-49-45-19-17-41-35-43(27-31-55(41,7)51(45)29-33-57(47,49)9)61-53(59)25-26-54(60)62-44-28-32-56(8)42(36-44)18-20-46-50-24-22-48(40(6)16-12-14-38(3)4)58(50,10)34-30-52(46)56/h17-18,37-40,43-52H,11-16,19-36H2,1-10H3",C58H94O4,,,,,,PRGHALIMOGZFFF-NTVQCMJZSA-N,,,,,,,,,,,
100.014.685,216-153-3,1514-52-9,4-nitrobenzenediazonium hexafluorophosphate,4-nitrobenzenediazonium hexafluorophosphate,[O-][N+](=O)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,[O-][N+](=O)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C6H4N3O2.F6P/c7-8-5-1-3-6(4-2-5)9(10)11;1-7(2,3,4,5)6/h1-4H;/q+1;-1",C6H4N3O2.F6P,,,,,,PXRFUEAIZAOVBL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.688,216-157-5,1515-72-6,N-butylphthalimide,"2-butyl-1H-isoindole-1,3(2H)-dione",CCCCN1C(=O)c2ccccc2C1=O,CCCCN1C(=O)c2ccccc2C1=O,"InChI=1/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3",C12H13NO2,,,,,,DLKDEVCJRCPTLN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.690,216-159-6,1515-76-0,"1,3-butadienyl acetate","buta-1,3-dien-1-yl acetate",CC(=O)OC=CC=C,CC(=O)OC=CC=C,"InChI=1/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3",C6H8O2,,,,,,NMQQBXHZBNUXGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.691,216-160-1,1515-80-6,"Methyl hexa-2,4-dienoate","methyl hexa-2,4-dienoate",CC=CC=CC(=O)OC,CC=CC=CC(=O)OC,"InChI=1/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3",C7H10O2,,,,,,KWKVAGQCDSHWFK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.693,216-162-2,1516-08-1,[2H6]ethanol,ethanol,CCO,CCO,"InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3",C2D6O,,,,,,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.930,225-223-2,4727-49-5,1-ethyl-4-[(1-ethyl-4(1H)-quinolylidene)methyl]quinolinium iodide,1-ethyl-4-[(1-ethylquinolin-4(1H)-ylidene)methyl]quinolinium iodide,[I-].CC[n+]4ccc(C=C2/C=C\\N(CC)c1ccccc12)c3ccccc34,[I-].CC[n+]4ccc(C=C2/C=C\N(CC)c1ccccc12)c3ccccc34,"InChI=1/C23H23N2.HI/c1-3-24-15-13-18(20-9-5-7-11-22(20)24)17-19-14-16-25(4-2)23-12-8-6-10-21(19)23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2.I,,,,,,BFVPXROCOCTNOP-UHFFFAOYSA-M,,,,,,,,,,,
100.022.934,225-227-4,5/04/4728,"3-(2-furylmethylene)pentane-2,4-dione","3-(2-furylmethylene)pentane-2,4-dione",CC(=O)C(=Cc1occc1)C(=O)C,CC(=O)C(=Cc1occc1)C(=O)C,"InChI=1/C10H10O3/c1-7(11)10(8(2)12)6-9-4-3-5-13-9/h3-6H,1-2H3",C10H10O3,,,,,,LYUYRWISWALFBB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.936,225-230-0,4728-82-9,Allyl cyclohexaneacetate,allyl cyclohexylacetate,C=CCOC(=O)CC1CCCCC1,C=CCOC(=O)CC1CCCCC1,"InChI=1/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2",C11H18O2,,,,,,UECFOOSFSUDPOR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.937,225-231-6,9/05/4729,"(1a,5a,6ß)-bicyclo[3.1.0]hex-2-ene-6-carbaldehyde",bicyclo[3.1.0]hex-2-ene-6-carbaldehyde,O=C[C@@H]1[C@@H]2CC=C[C@H]12,O=C[C@@H]1[C@@H]2CC=C[C@H]12,"InChI=1/C7H8O/c8-4-7-5-2-1-3-6(5)7/h1-2,4-7H,3H2",C7H8O,,,,,,DVZTVIVLAFIUFZ-XVMARJQXSA-N,,,,,,,,,,,
100.022.940,225-234-2,4731-53-7,Trioctylphosphine,trioctylphosphine,CCCCCCCCP(CCCCCCCC)CCCCCCCC,CCCCCCCCP(CCCCCCCC)CCCCCCCC,"InChI=1/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51P,,,,,,RMZAYIKUYWXQPB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.942,225-236-3,4731-77-5,Dibutylbis(octanoyloxy)stannane,dibutyl[bis(octanoyloxy)]stannane,CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC,CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC,"InChI=1/2C8H16O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8(9)10;2*1-3-4-2;/h2*2-7H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H48O4Sn/c1-5-9-13-15-17-19-23(25)27-29(21-11-7-3,22-12-8-4)28-24(26)20-18-16-14-10-6-2/h5-22H2,1-4H3",C24H48O4Sn,,,,,,NBJODVYWAQLZOC-UHFFFAOYSA-L,,,,,,,,,,,
100.022.956,225-252-0,4741-19-9,[p-(dimethylamino)phenyl] [(p-(dimethylamino)phenyl)]phosphonite,[4-(dimethylamino)phenyl]phosphonous acid,CN(C)c1ccc(cc1)P(O)O,CN(C)c1ccc(cc1)P(O)O,"InChI=1/C8H12NO2P/c1-9(2)7-3-5-8(6-4-7)12(10)11/h3-6,10-11H,1-2H3",C8H12NO2P,,,,,,QZAYYDDWEKUKDC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.427,233-483-3,10194-00-0,Bis(2-mercaptoethyl) adipate,bis(2-sulfanylethyl) adipate,SCCOC(=O)CCCCC(=O)OCCS,SCCOC(=O)CCCCC(=O)OCCS,"InChI=1/C10H18O4S2/c11-9(13-5-7-15)3-1-2-4-10(12)14-6-8-16/h15-16H,1-8H2",C10H18O4S2,,,,,,SDBQMGGFXXVCCV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.435,233-492-2,10196-75-5,N-[(diethylamino)methyl]methacrylamide,N-[(diethylamino)methyl]-2-methylacrylamide,CCN(CC)CNC(=O)C(=C)C,CCN(CC)CNC(=O)C(=C)C,"InChI=1/C9H18N2O/c1-5-11(6-2)7-10-9(12)8(3)4/h3,5-7H2,1-2,4H3,(H,10,12)",C9H18N2O,,,,,,IQBHTRVNLWHNBL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.440,233-498-5,10201-29-3,"N,N',N''-tris(2,4,6-trinitrophenyl)-1,3,5-triazine-2,4,6-triamine","N,N',N''-tris(2,4,6-trinitrophenyl)-1,3,5-triazine-2,4,6-triamine",[O-][N+](=O)c1cc(c(Nc2nc(Nc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])nc(Nc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])n2)c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(Nc2nc(Nc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])nc(Nc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])n2)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C21H9N15O18/c37-28(38)7-1-10(31(43)44)16(11(2-7)32(45)46)22-19-25-20(23-17-12(33(47)48)3-8(29(39)40)4-13(17)34(49)50)27-21(26-19)24-18-14(35(51)52)5-9(30(41)42)6-15(18)36(53)54/h1-6H,(H3,22,23,24,25,26,27)",C21H9N15O18,,,,,,YALJOHGBIWCGFV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.441,233-499-0,10203-08-4,"3,5-dichlorobenzaldehyde","3,5-dichlorobenzaldehyde",Clc1cc(Cl)cc(C=O)c1,Clc1cc(Cl)cc(C=O)c1,InChI=1/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H,C7H4Cl2O,,,,,,CASRSOJWLARCRX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.442,233-500-4,10203-28-8,Dodecan-2-ol,dodecan-2-ol,CCCCCCCCCCC(C)O,CCCCCCCCCCC(C)O,"InChI=1/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3",C12H26O,,,,,,XSWSEQPWKOWORN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.443,233-502-5,10203-32-4,Dodecan-4-ol,dodecan-4-ol,CCCCCCCCC(O)CCC,CCCCCCCCC(O)CCC,"InChI=1/C12H26O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h12-13H,3-11H2,1-2H3",C12H26O,,,,,,ZGSIAHIBHSEKPB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.447,233-506-7,10205-62-6,"N,N-dimethyl-4-(6-methylbenzothiazol-2-yl)aniline","N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline",CN(C)c1ccc(cc1)c2nc3ccc(C)cc3s2,CN(C)c1ccc(cc1)c2nc3ccc(C)cc3s2,"InChI=1/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3",C16H16N2S,,,,,,OEOPVJYUCSQVMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.452,233-511-4,10210-17-0,3-(4-hydroxyphenyl)propan-1-ol,4-(3-hydroxypropyl)phenol,OCCCc1ccc(O)cc1,OCCCc1ccc(O)cc1,"InChI=1/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2",C9H12O2,,,,,,NJCVPQRHRKYSAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.462,233-522-4,10213-99-7,Sodium 6-[(4-amino-m-tolyl)azo]toluene-3-sulphonate,sodium 4-[(4-amino-3-methylphenyl)diazenyl]-3-methylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1)c(C)c2,[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1)c(C)c2,"InChI=1/C14H15N3O3S.Na/c1-9-7-11(3-5-13(9)15)16-17-14-6-4-12(8-10(14)2)21(18,19)20;/h3-8H,15H2,1-2H3,(H,18,19,20);/q;+1/p-1",C14H15N3O3S.Na,,,,,,CKZGHZKZVVYPFS-UHFFFAOYSA-M,,,,,,,,,,,
100.030.463,233-524-5,10214-07-0,"Sodium 4-[[4-[benzyl(ethyl)amino]phenyl]azo]-2,5-dichlorobenzenesulphonate","sodium 4-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-2,5-dichlorobenzenesulfonate",[Na+].Clc3cc(c(Cl)cc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)S([O-])(=O)=O,[Na+].Clc3cc(c(Cl)cc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)S([O-])(=O)=O,"InChI=1/C21H19Cl2N3O3S.Na/c1-2-26(14-15-6-4-3-5-7-15)17-10-8-16(9-11-17)24-25-20-12-19(23)21(13-18(20)22)30(27,28)29;/h3-13H,2,14H2,1H3,(H,27,28,29);/q;+1/p-1",C21H19Cl2N3O3S.Na,,,,,,QVSLNIURVCPVKS-UHFFFAOYSA-M,,,,,,,,,,,
100.030.464,233-525-0,10214-27-4,Isopentyl undec-10-enoate,3-methylbutyl undec-10-enoate,CC(C)CCOC(=O)CCCCCCCCC=C,CC(C)CCOC(=O)CCCCCCCCC=C,"InChI=1/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h4,15H,1,5-14H2,2-3H3",C16H30O2,,,,,,DMSGZRWAESVGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.465,233-526-6,10214-40-1,Copper(2+) selenite,copper(2+) selenite,[Cu+2].[O-][Se](=O)[O-],[Cu+2].[O-][Se](=O)[O-],"InChI=1/Cu.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",Cu.H2O3Se,,,,,,JNRBLFVQPTZFAG-UHFFFAOYSA-L,,,,,,,,,,,
100.030.466,233-527-1,10215-25-5,"9H-thioxanthene-3,6-diamine 10,10-dioxide","9H-thioxanthene-3,6-diamine 10,10-dioxide",Nc1ccc2Cc3ccc(N)cc3S(=O)(=O)c2c1,Nc1ccc2Cc3ccc(N)cc3S(=O)(=O)c2c1,"InChI=1/C13H12N2O2S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)18(16,17)12(8)6-10/h1-4,6-7H,5,14-15H2",C13H12N2O2S,,,,,,UPVRZVIJGVFROW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.469,233-530-8,10218-88-9,"N-chloro-1,1-dimethylethylamine",N-chloro-2-methylpropan-2-amine,CC(C)(C)NCl,CC(C)(C)NCl,"InChI=1/C4H10ClN/c1-4(2,3)6-5/h6H,1-3H3",C4H10ClN,,,,,,XFFUBBGUJSBONN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.305,228-935-1,6375-25-3,"9,10-dihydro-2,7-dimethylacridine-3,6-diamine","2,7-dimethyl-9,10-dihydroacridine-3,6-diamine",Cc1cc2Cc3cc(C)c(N)cc3Nc2cc1N,Cc1cc2Cc3cc(C)c(N)cc3Nc2cc1N,"InChI=1/C15H17N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-4,6-7,18H,5,16-17H2,1-2H3",C15H17N3,,,,,,KIGDVYOAQWPIQX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.308,228-938-8,6375-47-9,3'-amino-4'-methoxyacetanilide,N-(3-amino-4-methoxyphenyl)acetamide,COc1ccc(NC(=O)C)cc1N,COc1ccc(NC(=O)C)cc1N,"InChI=1/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)",C9H12N2O2,,,,,,SJWQCBCAGCEWCV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.133,225-447-0,4853-56-9,N-butylidenebutylamine,N-butylidenebutan-1-amine,CCCCN=CCCC,CCCCN=CCCC,"InChI=1/C8H17N/c1-3-5-7-9-8-6-4-2/h7H,3-6,8H2,1-2H3",C8H17N,,,,,,GMYLJUMIAPOWOO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.135,225-449-1,4856-87-5,"1,1'-(hexane-1,6-diyl)bis-1H-pyrrole-2,5-dione","1,1'-hexane-1,6-diylbis(1H-pyrrole-2,5-dione)",O=C1C=CC(=O)N1CCCCCCN2C(=O)C=CC2=O,O=C1C=CC(=O)N1CCCCCCN2C(=O)C=CC2=O,"InChI=1/C14H16N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h5-8H,1-4,9-10H2",C14H16N2O4,,,,,,PYVHLZLQVWXBDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.145,225-460-1,4858-85-9,"2,3-dichloropyrazine","2,3-dichloropyrazine",Clc1nccnc1Cl,Clc1nccnc1Cl,InChI=1/C4H2Cl2N2/c5-3-4(6)8-2-1-7-3/h1-2H,C4H2Cl2N2,,,,,,MLCNOCRGSBCAGH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.148,225-463-8,4860-93-9,3-phenyl-5-pyrazolone,"5-phenyl-1,2-dihydro-3H-pyrazol-3-one",O=C1NNC(=C1)c2ccccc2,O=C1NNC(=C1)c2ccccc2,"InChI=1/C9H8N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)",C9H8N2O,,,,,,YLHCQNBWOZXHIR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.153,225-469-0,4862-18-4,"2,2',2''-nitrilotris(acetamide)","2,2',2''-nitrilotriacetamide",NC(=O)CN(CC(=O)N)CC(=O)N,NC(=O)CN(CC(=O)N)CC(=O)N,"InChI=1/C6H12N4O3/c7-4(11)1-10(2-5(8)12)3-6(9)13/h1-3H2,(H2,7,11)(H2,8,12)(H2,9,13)",C6H12N4O3,,,,,,CVTGEDNIBVTKBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.924,214-215-4,1114-71-2,Pebulate,S-propyl butyl(ethyl)thiocarbamate,CCCCN(CC)C(=O)SCCC,CCCCN(CC)C(=O)SCCC,"InChI=1/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3",C10H21NOS,,,,,,SGEJQUSYQTVSIU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.928,214-220-1,1115-01-1,"Methyl 9,10-dihydroxyoctadecanoate","methyl 9,10-dihydroxyoctadecanoate",CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC,CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC,"InChI=1/C19H38O4/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3",C19H38O4,,,,,,RITHLQKJQSKUAO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.930,214-222-2,1115-20-4,"3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate","3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate",CC(C)(CO)COC(=O)C(C)(C)CO,CC(C)(CO)COC(=O)C(C)(C)CO,"InChI=1/C10H20O4/c1-9(2,5-11)7-14-8(13)10(3,4)6-12/h11-12H,5-7H2,1-4H3",C10H20O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11791,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.930,SZCWBURCISJFEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.931,214-223-8,1115-30-6,Diethyl acetylsuccinate,diethyl 2-acetylsuccinate,CCOC(=O)CC(C(=O)C)C(=O)OCC,CCOC(=O)CC(C(=O)C)C(=O)OCC,"InChI=1/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3",C10H16O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18399,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.931,DVSDDICSXBCMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.935,214-228-5,1115-65-7,3-sulphino-L-alanine,3-sulfino-L-alanine,N[C@@H](CS(=O)O)C(=O)O,N[C@@H](CS(=O)O)C(=O)O,"InChI=1/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)",C3H7NO4S,,,,,,ADVPTQAUNPRNPO-REOHCLBHSA-N,,,,,,,,,,,
100.012.939,214-232-7,1115-99-7,Triethylgallium,triethylgallium,CC[Ga](CC)CC,CC[Ga](CC)CC,"InChI=1/3C2H5.Ga/c3*1-2;/h3*1H2,2H3;/rC6H15Ga/c1-4-7(5-2)6-3/h4-6H2,1-3H3",C6H15Ga,,,,,,RGGPNXQUMRMPRA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.945,214-239-5,1116-55-8,Tetrasodium [(tetradecylimino)dimethylene]diphosphonate,tetrasodium [(tetradecylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4",C16H37NO6P2.4Na,,,,,,UYZSNYDJPDLBQV-UHFFFAOYSA-J,,,,,,,,,,,
100.012.948,214-242-1,1116-76-3,Trioctylamine,"N,N-dioctyloctan-1-amine",CCCCCCCCN(CCCCCCCC)CCCCCCCC,CCCCCCCCN(CCCCCCCC)CCCCCCCC,"InChI=1/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51N,,,,,,XTAZYLNFDRKIHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.949,214-243-7,1116-98-9,tert-butyl cyanoacetate,tert-butyl cyanoacetate,CC(C)(C)OC(=O)CC#N,CC(C)(C)OC(=O)CC#N,"InChI=1/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3",C7H11NO2,,,,,,BFNYNEMRWHFIMR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.956,214-251-0,1117-71-1,Methyl 4-bromocrotonate,methyl 4-bromobut-2-enoate,COC(=O)\\C=C\\CBr,COC(=O)\C=C\CBr,"InChI=1/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3",C5H7BrO2,,,,,,RWIKCBHOVNDESJ-NSCUHMNNSA-N,,,,,,,,,,,
100.012.960,214-255-2,1117-97-1,N-methoxymethylamine,N-methoxymethanamine,CNOC,CNOC,"InChI=1/C2H7NO/c1-3-4-2/h3H,1-2H3",C2H7NO,,,,,,KRKPYFLIYNGWTE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.965,214-261-5,1118-38-3,"3-(dimethylamino)-2,2-dimethylpropyl methacrylate","3-(dimethylamino)-2,2-dimethylpropyl methacrylate",CN(C)CC(C)(C)COC(=O)C(=C)C,CN(C)CC(C)(C)COC(=O)C(=C)C,"InChI=1/C11H21NO2/c1-9(2)10(13)14-8-11(3,4)7-12(5)6/h1,7-8H2,2-6H3",C11H21NO2,,,,,,VVOKYOKVMKJIMT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.966,214-262-0,1118-39-4,Myrcenyl acetate,"1,1-dimethyl-5-methylenehept-6-en-1-yl acetate",CC(=O)OC(C)(C)CCCC(=C)C=C,CC(=O)OC(C)(C)CCCC(=C)C=C,"InChI=1/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3",C12H20O2,,,,,,DCXXKSXLKWAZNO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.008,223-108-1,3736-81-0,4-[(dichloroacetyl)methylamino]phenyl 2-furoate,4-[(dichloroacetyl)(methyl)amino]phenyl 2-furoate,CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2occc2)cc1,CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2occc2)cc1,"InChI=1/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3",C14H11Cl2NO4,,,,,,BDYYDXJSHYEDGB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.010,223-110-2,5/09/3737,Disopyramide,4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutanamide,CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C,CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C,"InChI=1/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)",C21H29N3O,,,,,,UVTNFZQICZKOEM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.012,223-112-3,3737-35-7,2-(diethylamino)ethyl a-cyclopentyl-a-hydroxythiophen-2-acetate hydrochloride,2-(diethylamino)ethyl cyclopentyl(hydroxy)2-thienylacetate hydrochloride,Cl.CCN(CC)CCOC(=O)C(O)(C1CCCC1)c2cccs2,Cl.CCN(CC)CCOC(=O)C(O)(C1CCCC1)c2cccs2,"InChI=1/C17H27NO3S.ClH/c1-3-18(4-2)11-12-21-16(19)17(20,14-8-5-6-9-14)15-10-7-13-22-15;/h7,10,13-14,20H,3-6,8-9,11-12H2,1-2H3;1H",C17H27NO3S.ClH,,,,,,SANLWGKFXDACJA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.013,223-113-9,3737-41-5,"3,3,4,4-tetrachlorotetrahydrothiophene 1,1-dioxide","3,3,4,4-tetrachlorotetrahydrothiophene 1,1-dioxide",ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl,ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl,"InChI=1/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2",C4H4Cl4O2S,,,,,,GCAXGCSCRRVVLF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.325,217-956-1,2016-56-0,Dodecylammonium acetate,dodecan-1-aminium acetate,CCCCCCCCCCCC[NH3+].CC(=O)[O-],CCCCCCCCCCCC[NH3+].CC(=O)[O-],"InChI=1/C12H27N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2(3)4/h2-13H2,1H3;1H3,(H,3,4)",C12H27N.C2H4O2,,,,,,HBRNMIYLJIXXEE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.329,217-960-3,2018-66-8,N-benzyloxycarbonyl-L-leucine,N-[(benzyloxy)carbonyl]-L-leucine,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)",C14H19NO4,,,,,,USPFMEKVPDBMCG-LBPRGKRZSA-N,,,,,,,,,,,
100.016.334,217-966-6,2021-28-5,Ethyl 3-phenylpropionate,ethyl 3-phenylpropanoate,CCOC(=O)CCc1ccccc1,CCOC(=O)CCc1ccccc1,"InChI=1/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C11H14O2,,,,,,JAGZUIGGHGTFHO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.336,217-968-7,2022-85-7,Flucytosine,4-amino-5-fluoropyrimidin-2(1H)-one,NC1=NC(=O)NC=C1F,NC1=NC(=O)NC=C1F,"InChI=1/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)",C4H4FN3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19073,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.336,XRECTZIEBJDKEO-UHFFFAOYSA-N,Positive/Negative,mzcloud:3057,[M+H]+;[2M+H]+,HCD_Averaged,58.00876:60.02440:85.01965:87.03530:112.0305:113.0146,HighChem,mzcloud:3057,[M-H]-,HCD_Averaged,58.00985:65.01452:85.02075,HighChem
100.016.339,217-971-3,2024-89-7,5-ethyl-2-methylpyridine hydrochloride,5-ethyl-2-methylpyridine hydrochloride,Cl.CCc1ccc(C)nc1,Cl.CCc1ccc(C)nc1,"InChI=1/C8H11N.ClH/c1-3-8-5-4-7(2)9-6-8;/h4-6H,3H2,1-2H3;1H",C8H11N.ClH,,,,,,ISAMCLDQUGJSEW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.341,217-973-4,2026-24-6,Dehydroabietylamine acetate,"abieta-8,11,13-trien-18-amine acetate",CC(C)c1ccc2c(CC[C@H]3[C@](C)(CN)CCC[C@]23C)c1.CC(=O)O,CC(C)c1ccc2c(CC[C@H]3[C@](C)(CN)CCC[C@]23C)c1.CC(=O)O,"InChI=1/C20H31N.C2H4O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;1-2(3)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1H3,(H,3,4)",C20H31N.C2H4O2,,,,,,BFAQRUGPWJVQDA-WFBUOHSLSA-N,,,,,,,,,,,
100.016.344,217-977-6,2027-47-6,9-octadecenoic acid,octadec-9-enoic acid,OC(=O)CCCCCCCC=CCCCCCCCC,OC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)",C18H34O2,,,,,,ZQPPMHVWECSIRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.346,217-979-7,2029-94-9,"3,4-diethoxybenzaldehyde","3,4-diethoxybenzaldehyde",CCOc1ccc(C=O)cc1OCC,CCOc1ccc(C=O)cc1OCC,"InChI=1/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3",C11H14O3,,,,,,SSTRYEXQYQGGAS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.350,217-983-9,2031-67-6,Triethoxy(methyl)silane,triethoxy(methyl)silane,CCO[Si](C)(OCC)OCC,CCO[Si](C)(OCC)OCC,"InChI=1/C7H18O3Si/c1-5-8-11(4,9-6-2)10-7-3/h5-7H2,1-4H3",C7H18O3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13139,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.350,CPUDPFPXCZDNGI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.358,217-992-8,2033-24-1,"2,2-dimethyl-1,3-dioxane-4,6-dione","2,2-dimethyl-1,3-dioxane-4,6-dione",CC1(C)OC(=O)CC(=O)O1,CC1(C)OC(=O)CC(=O)O1,"InChI=1/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3",C6H8O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18635,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.358,GXHFUVWIGNLZSC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.366,218-001-1,2035-75-8,Adipic anhydride,"6,6'-oxybis(6-oxohexanoic acid)",OC(=O)CCCCC(=O)OC(=O)CCCCC(=O)O,OC(=O)CCCCC(=O)OC(=O)CCCCC(=O)O,"InChI=1/C12H18O7/c13-9(14)5-1-3-7-11(17)19-12(18)8-4-2-6-10(15)16/h1-8H2,(H,13,14)(H,15,16)",C6H8O3,,,,,,OPLLFZWMHQDZET-UHFFFAOYSA-N,,,,,,,,,,,
100.016.370,218-005-3,2036-13-7,1H-purine-6-carbonitrile,1H-purine-6-carbonitrile,N#Cc1[nH]cnc2ncnc12,N#Cc1[nH]cnc2ncnc12,"InChI=1/C6H3N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,(H,8,9,10,11)",C6H3N5,,,,,,NHYQQYMSESLQDX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.967,225-264-6,9/11/4747,(1-phenoxyethyl)benzene,(1-phenoxyethyl)benzene,CC(Oc1ccccc1)c2ccccc2,CC(Oc1ccccc1)c2ccccc2,"InChI=1/C14H14O/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-12H,1H3",C14H14O,,,,,,MMDVBQJVKNNYLU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.970,225-267-2,4747-61-9,"2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethanol","2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethanol",CC1(C)C2CCC(CCO)C1C2,CC1(C)C2CCC(CCO)C1C2,"InChI=1/C11H20O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10,12H,3-7H2,1-2H3",C11H20O,,,,,,RCRVMCSPZAMFKV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.974,225-271-4,4751-23-9,"5,6-dichloro-1,3-diethyl-2-[2-(phenylamino)vinyl]-1H-benzimidazolium iodide","2-(2-anilinovinyl)-5,6-dichloro-1,3-diethyl-2,3-dihydro-1H-benzimidazol-1-ium iodide",[I-].CCN1C(\\C=C\\Nc2ccccc2)[NH+](CC)c3cc(Cl)c(Cl)cc13,[I-].CCN1C(\C=C\Nc2ccccc2)[NH+](CC)c3cc(Cl)c(Cl)cc13,"InChI=1/C19H21Cl2N3.HI/c1-3-23-17-12-15(20)16(21)13-18(17)24(4-2)19(23)10-11-22-14-8-6-5-7-9-14;/h5-13,19,22H,3-4H2,1-2H3;1H",C19H20Cl2N3.I,,,,,,RTPZJZOHWSWROT-ASTDGNLGSA-N,,,,,,,,,,,
100.022.979,225-277-7,4753-59-7,4-bromobutyl acetate,4-bromobutyl acetate,CC(=O)OCCCCBr,CC(=O)OCCCCBr,"InChI=1/C6H11BrO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3",C6H11BrO2,,,,,,UOABIRUEGSGTSA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.881,214-169-5,1106-50-9,"1,2-diphenyl-4-[2-(phenylsulphonyl)ethyl]pyrazolidine-3,5-dione","1,2-diphenyl-4-[2-(phenylsulfonyl)ethyl]pyrazolidine-3,5-dione",O=C1C(CCS(=O)(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4,O=C1C(CCS(=O)(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4,"InChI=1/C23H20N2O4S/c26-22-21(16-17-30(28,29)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",C23H20N2O4S,,,,,,DQUYGWDNTAETLI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.882,214-170-0,1107-00-2,"4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphthalic anhydride","5,5'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)bis(2-benzofuran-1,3-dione)",FC(F)(F)C(c1ccc2C(=O)OC(=O)c2c1)(c3ccc4C(=O)OC(=O)c4c3)C(F)(F)F,FC(F)(F)C(c1ccc2C(=O)OC(=O)c2c1)(c3ccc4C(=O)OC(=O)c4c3)C(F)(F)F,"InChI=1/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H",C19H6F6O6,,,,,,QHHKLPCQTTWFSS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.895,214-184-7,1111-74-6,Dimethylsilane,dimethylsilane,C[SiH2]C,C[SiH2]C,"InChI=1/C2H8Si/c1-3-2/h3H2,1-2H3",C2H8Si,,,,,,UBHZUDXTHNMNLD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.897,214-186-8,1111-88-2,Bromo(2H3)methane,bromomethane,CBr,CBr,InChI=1/CH3Br/c1-2/h1H3,CBrD3,,,,,,GZUXJHMPEANEGY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.898,214-187-3,1111-92-8,Dimethylphosphinic chloride,dimethylphosphinic chloride,CP(=O)(C)Cl,CP(=O)(C)Cl,"InChI=1/C2H6ClOP/c1-5(2,3)4/h1-2H3",C2H6ClOP,,,,,,CVNMBKFJYRAHPO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.909,214-199-9,1113-12-8,Diallyldimethylsilane,diallyl(dimethyl)silane,C[Si](C)(CC=C)CC=C,C[Si](C)(CC=C)CC=C,"InChI=1/C8H16Si/c1-5-7-9(3,4)8-6-2/h5-6H,1-2,7-8H2,3-4H3",C8H16Si,,,,,,ZDSFBVVBFMKMRF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.910,214-200-2,1113-14-0,"(E)-1,1'-[vinylenebis(sulphonyl)]bispropane","1,1'-(ethene-1,2-diyldisulfonyl)dipropane",CCCS(=O)(=O)C=CS(=O)(=O)CCC,CCCS(=O)(=O)C=CS(=O)(=O)CCC,"InChI=1/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3",C8H16O4S2,,,,,,YTPMCWYIRHLEGM-UHFFFAOYSA-N,,,,,,,,,,,
100.012.920,214-211-2,1114-14-3,Ammonium potassium tartrate,ammonium potassium tartarate,[NH4+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],[NH4+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.K.H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3/q;+1;/p-1",C4H6O6.H3N.K,,,,,,SOJZPUFVOCGQIP-UHFFFAOYSA-M,,,,,,,,,,,
100.027.141,229-854-4,6789-80-6,(Z)-hex-3-enal,hex-3-enal,CC\\C=C/CC=O,CC\C=C/CC=O,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3",C6H10O,,,,,,GXANMBISFKBPEX-ARJAWSKDSA-N,,,,,,,,,,,
100.027.146,229-860-7,6790-20-1,7-hydroxydodecan-6-one,7-hydroxydodecan-6-one,CCCCCC(O)C(=O)CCCCC,CCCCCC(O)C(=O)CCCCC,"InChI=1/C12H24O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h11,13H,3-10H2,1-2H3",C12H24O2,,,,,,ATQOGFAUUNCKHV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.148,229-862-8,6791-49-7,(S)-2-amino-3-hydroxypropionamide,L-serinamide,N[C@@H](CO)C(=O)N,N[C@@H](CO)C(=O)N,"InChI=1/C3H8N2O2/c4-2(1-6)3(5)7/h2,6H,1,4H2,(H2,5,7)",C3H8N2O2,,,,,,MGOGKPMIZGEGOZ-REOHCLBHSA-N,,,,,,,,,,,
100.027.154,229-869-6,6797-44-0,"1-phenylbutane-1,2,3-trione 2-oxime","1-phenylbutane-1,2,3-trione 2-oxime",O=C(C(=NO)C(C)=O)c1ccccc1,O=C(C(=NO)C(C)=O)c1ccccc1,"InChI=1/C10H9NO3/c1-7(12)9(11-14)10(13)8-5-3-2-4-6-8/h2-6,14H,1H3",C10H9NO3,,,,,,JVPIIQSFMRUIAP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.310,228-940-9,6375-55-9,"Disodium 4,4'-bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-1,1'-biphenyl-2,6'-disulphonate","disodium 4,4'-bis[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]biphenyl-2,2'-disulfonate",[Na+].[Na+].Oc5n(nc(C)c5N=Nc1ccc(c(c1)S([O-])(=O)=O)c2ccc(cc2S([O-])(=O)=O)N=Nc4c(C)nn(c3ccccc3)c4O)c6ccccc6,[Na+].[Na+].Oc5n(nc(C)c5N=Nc1ccc(c(c1)S([O-])(=O)=O)c2ccc(cc2S([O-])(=O)=O)N=Nc4c(C)nn(c3ccccc3)c4O)c6ccccc6,"InChI=1/C32H26N8O8S2.2Na/c1-19-29(31(41)39(37-19)23-9-5-3-6-10-23)35-33-21-13-15-25(27(17-21)49(43,44)45)26-16-14-22(18-28(26)50(46,47)48)34-36-30-20(2)38-40(32(30)42)24-11-7-4-8-12-24;;/h3-18,41-42H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C32H26N8O8S2.2Na,,,,,,JPGWZMZHSAJJCL-UHFFFAOYSA-L,,,,,,,,,,,
100.026.316,228-947-7,6377-14-6,Apocodeine hydrochloride,"10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol hydrochloride",Cl.COc1ccc2CC3N(C)CCc4cccc(c34)c2c1O,Cl.COc1ccc2CC3N(C)CCc4cccc(c34)c2c1O,"InChI=1/C18H19NO2.ClH/c1-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(21-2)18(20)17(12)13;/h3-7,14,20H,8-10H2,1-2H3;1H",C18H19NO2.ClH,,,,,,NIWCFXFECXNXGD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.318,228-949-8,6378-19-4,4-(chloromethyl)-2-nitroanisole,4-(chloromethyl)-1-methoxy-2-nitrobenzene,COc1ccc(CCl)cc1[N+](=O)[O-],COc1ccc(CCl)cc1[N+](=O)[O-],"InChI=1/C8H8ClNO3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5H2,1H3",C8H8ClNO3,,,,,,DKRYRFRNGLTDMB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.321,228-952-4,6378-65-0,Hexyl hexanoate,hexyl hexanoate,CCCCCCOC(=O)CCCCC,CCCCCCOC(=O)CCCCC,"InChI=1/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3",C12H24O2,,,,,,NCDCLPBOMHPFCV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.327,228-959-2,6379-73-3,5-isopropyl-2-methylanisole,4-isopropyl-2-methoxy-1-methylbenzene,COc1cc(ccc1C)C(C)C,COc1cc(ccc1C)C(C)C,"InChI=1/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3",C11H16O,,,,,,YVLHTQPPMZOCOW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.329,228-961-3,6380-21-8,o-(prop-1-enyl)phenol,2-prop-1-en-1-ylphenol,Oc1ccccc1C=CC,Oc1ccccc1C=CC,"InChI=1/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-7,10H,1H3",C9H10O,,,,,,WHGXZPQWZJUGEP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.332,228-965-5,6380-34-3,Diiodo(phenyl)arsine,phenylarsonous diiodide,I[As](I)c1ccccc1,I[As](I)c1ccccc1,InChI=1/C6H5AsI2/c8-7(9)6-4-2-1-3-5-6/h1-5H,C6H5AsI2,,,,,,IZGYEHWMAUNJHX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.334,228-967-6,6380-69-4,tert-butyl perchlorate,tert-butyl perchlorate,CC(C)(C)OCl(=O)(=O)=O,CC(C)(C)OCl(=O)(=O)=O,"InChI=1/C4H9ClO4/c1-4(2,3)9-5(6,7)8/h1-3H3",C4H9ClO4,,,,,,AFSIIZRPQXBCFM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.337,228-970-2,6380-95-6,2-methoxybut-2-ene,2-methoxybut-2-ene,CC(=CC)OC,CC(=CC)OC,"InChI=1/C5H10O/c1-4-5(2)6-3/h4H,1-3H3",C5H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10711,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.337,JWBPCSXRWORRAI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.342,228-976-5,6/07/6382,"2-[4-(1,1-dimethylpropyl)phenoxy]ethanol","2-[4-(1,1-dimethylpropyl)phenoxy]ethanol",CCC(C)(C)c1ccc(OCCO)cc1,CCC(C)(C)c1ccc(OCCO)cc1,"InChI=1/C13H20O2/c1-4-13(2,3)11-5-7-12(8-6-11)15-10-9-14/h5-8,14H,4,9-10H2,1-3H3",C13H20O2,,,,,,BXXDXUTVAFRBKC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.346,228-980-7,6383-70-6,5-benzyloxy-DL-tryptophan,5-(benzyloxy)-L-tryptophan,N[C@@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O,"InChI=1/C18H18N2O3/c19-16(18(21)22)8-13-10-20-17-7-6-14(9-15(13)17)23-11-12-4-2-1-3-5-12/h1-7,9-10,16,20H,8,11,19H2,(H,21,22)",C18H18N2O3,,,,,,DFGNDJBYANKHIO-INIZCTEOSA-N,,,,,,,,,,,
100.029.934,232-940-4,9050-36-6,Maltodextrin,D-glucose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",-,,,,,,GZCGUPFRVQAUEE-SLPGGIOYSA-N,,,,,,,,,,,
100.025.967,228-562-4,6295-21-2,3-chlorophthalide,3-chloro-2-benzofuran-1(3H)-one,ClC1OC(=O)c2ccccc12,ClC1OC(=O)c2ccccc12,"InChI=1/C8H5ClO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H",C8H5ClO2,,,,,,GHZPDRVHYHFILK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.969,228-565-0,6295-57-4,(benzothiazol-2-ylthio)acetic acid,"(1,3-benzothiazol-2-ylsulfanyl)acetic acid",OC(=O)CSc1nc2ccccc2s1,OC(=O)CSc1nc2ccccc2s1,"InChI=1/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)",C9H7NO2S2,,,,,,ZZUQWNYNSKJLPI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.984,228-581-8,8/07/6300,Sodium m-[(4-amino-3-methoxyphenyl)azo]benzenesulphonate,sodium 3-[(4-amino-3-methoxyphenyl)diazenyl]benzenesulfonate,[Na+].Nc1ccc(cc1OC)N=Nc2cccc(c2)S([O-])(=O)=O,[Na+].Nc1ccc(cc1OC)N=Nc2cccc(c2)S([O-])(=O)=O,"InChI=1/C13H13N3O4S.Na/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1",C13H13N3O4S.Na,,,,,,CSVLGAQNGISLDW-UHFFFAOYSA-M,,,,,,,,,,,
100.025.988,228-586-5,6300-33-0,"Sodium 5-[(2,4-dimethylphenyl)azo]-6-hydroxynaphthalene-2-sulphonate","sodium 5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate",[Na+].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1ccc(C)cc1C)c3cc2,[Na+].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1ccc(C)cc1C)c3cc2,"InChI=1/C18H16N2O4S.Na/c1-11-3-7-16(12(2)9-11)19-20-18-15-6-5-14(25(22,23)24)10-13(15)4-8-17(18)21;/h3-10,21H,1-2H3,(H,22,23,24);/q;+1/p-1",C18H16N2O4S.Na,,,,,,ZCJBGUAIONCVNG-UHFFFAOYSA-M,,,,,,,,,,,
100.012.967,214-263-6,1118-46-3,N-butyltin trichloride,n-butyltin trichloride,[Cl-].[Cl-].[Cl-].CCCC[Sn+3],[Cl-].[Cl-].[Cl-].CCCC[Sn+3],"InChI=1/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3/rC4H9Sn.3ClH/c1-2-3-4-5;;;/h2-4H2,1H3;3*1H/q+3;;;/p-3",C4H9Cl3Sn,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14718,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.967,YMLFYGFCXGNERH-UHFFFAOYSA-K,,,,,,,,,,,
100.012.971,214-267-8,1118-68-9,"N,N-dimethylglycine","N,N-dimethylglycine",CN(C)CC(=O)O,CN(C)CC(=O)O,"InChI=1/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)",C4H9NO2,,,,,,FFDGPVCHZBVARC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.189,229-908-7,6830-82-6,N-methyl-2-phenylacetamide,N-methyl-2-phenylacetamide,CNC(=O)Cc1ccccc1,CNC(=O)Cc1ccccc1,"InChI=1/C9H11NO/c1-10-9(11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)",C9H11NO,,,,,,RKEXPBCMGJAOLM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.191,229-910-8,3/06/6833,Sebacanilide,"N,N'-diphenyldecanediamide",O=C(CCCCCCCCC(=O)Nc1ccccc1)Nc2ccccc2,O=C(CCCCCCCCC(=O)Nc1ccccc1)Nc2ccccc2,"InChI=1/C22H28N2O2/c25-21(23-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(26)24-20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2,(H,23,25)(H,24,26)",C22H28N2O2,,,,,,ONCDVKZXXAGMSL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.213,229-934-9,6846-50-0,"1-isopropyl-2,2-dimethyltrimethylene diisobutyrate","2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)",CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,"InChI=1/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3",C16H30O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13895,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.213,OMVSWZDEEGIJJI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.224,229-946-4,6852-28-4,"1,1'-(ethylimino)dipropan-2-ol","1,1'-(ethylimino)dipropan-2-ol",CCN(CC(C)O)CC(C)O,CCN(CC(C)O)CC(C)O,"InChI=1/C8H19NO2/c1-4-9(5-7(2)10)6-8(3)11/h7-8,10-11H,4-6H2,1-3H3",C8H19NO2,,,,,,QFPSWHHWTPBRCL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.226,229-949-0,6852-56-8,N-benzylideneisopropylamine,N-benzylidenepropan-2-amine,CC(C)N=Cc1ccccc1,CC(C)N=Cc1ccccc1,"InChI=1/C10H13N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-9H,1-2H3",C10H13N,,,,,,GVDZNWFGNHAZCX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.229,229-952-7,6856-14-0,5-acetamido-3-amino-2-hydroxybenzenesulphonic acid,5-acetamido-3-amino-2-hydroxybenzenesulfonic acid,CC(=O)Nc1cc(N)c(O)c(c1)S(=O)(=O)O,CC(=O)Nc1cc(N)c(O)c(c1)S(=O)(=O)O,"InChI=1/C8H10N2O5S/c1-4(11)10-5-2-6(9)8(12)7(3-5)16(13,14)15/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)",C8H10N2O5S,,,,,,FVELBSCPKVNJHA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.749,216-223-3,1530-32-1,Ethyltriphenylfosfonium bromide,bromo(ethyl)triphenylphosphorane,CCP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,CCP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H20BrP/c1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3",C20H20P.Br,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5487,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.749,RZWDOHOQSSGFOR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.770,215-146-2,1306-19-0,Cadmium oxide,oxocadmium,O=[Cd],O=[Cd],InChI=1/Cd.O/rCdO/c1-2,CdO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15016,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.770,CXKCTMHTOKXKQT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.783,215-160-9,1308-38-9,Chromium (III) oxide,-,O=[Cr]O[Cr]=O,O=[Cr]O[Cr]=O,InChI=1/2Cr.3O/rCr2O3/c3-1-5-2-4,Cr2O3,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15477,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.783,QDOXWKRWXJOMAK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.785,215-163-5,1308-85-6,Dysprosium trihydroxide,dysprosium trihydroxide,[OH-].[OH-].[OH-].[Dy+3],[OH-].[OH-].[OH-].[Dy+3],InChI=1/Dy.3H2O/h;3*1H2/q+3;;;/p-3,DyH3O3,,,,,,ABEVUBXCYLEFPJ-UHFFFAOYSA-K,,,,,,,,,,,
100.013.792,215-170-3,1309-42-8,Magnesium hydroxide,magnesium dihydroxide,[OH-].[OH-].[Mg+2],[OH-].[OH-].[Mg+2],InChI=1/Mg.2H2O/h;2*1H2/q+2;;/p-2,H2MgO2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16073,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.792,VTHJTEIRLNZDEV-UHFFFAOYSA-L,,,,,,,,,,,
100.013.800,215-179-2,1310-45-8,Iron dihydroxide pentakis(sulphate),-,[OH-].[OH-].[Fe+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[OH-].[OH-].[Fe+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Fe.5H2O4S.2H2O/c;5*1-5(2,3)4;;/h;5*(H2,1,2,3,4);2*1H2/q+2;;;;;;;/p-12",Fe4H2O22S5,,,,,,VGQBPRZZMOGNSE-UHFFFAOYSA-B,,,,,,,,,,,
100.023.155,225-471-1,4864-61-3,3-octyl acetate,1-ethylhexyl acetate,CCCCCC(CC)OC(=O)C,CCCCCC(CC)OC(=O)C,"InChI=1/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3",C10H20O2,,,,,,STZUZYMKSMSTOU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.157,225-473-2,4867-01-0,4-[(5-chloro-2-hydroxyphenyl)azo]resorcinol,"4-[(5-chloro-2-hydroxyphenyl)diazenyl]benzene-1,3-diol",Oc2ccc(Cl)cc2N=Nc1ccc(O)cc1O,Oc2ccc(Cl)cc2N=Nc1ccc(O)cc1O,"InChI=1/C12H9ClN2O3/c13-7-1-4-11(17)10(5-7)15-14-9-3-2-8(16)6-12(9)18/h1-6,16-18H",C12H9ClN2O3,,,,,,HXIZKRMUCMXEQN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.160,225-476-9,4868-21-7,"(Z)-undec-8-ene-2,5-dione","undec-8-ene-2,5-dione",CC\\C=C/CCC(=O)CCC(=O)C,CC\C=C/CCC(=O)CCC(=O)C,"InChI=1/C11H18O2/c1-3-4-5-6-7-11(13)9-8-10(2)12/h4-5H,3,6-9H2,1-2H3",C11H18O2,,,,,,CMOKFBMAFUYELN-PLNGDYQASA-N,,,,,,,,,,,
100.023.161,225-477-4,4870-65-9,Bromo(phenyl)acetic acid,bromo(phenyl)acetic acid,OC(=O)C(Br)c1ccccc1,OC(=O)C(Br)c1ccccc1,"InChI=1/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)",C8H7BrO2,,,,,,WAKFRZBXTKUFIW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.130,224-342-7,4317-65-1,"3-[(2,4-dihydroxyphenyl)azo]naphthalene-1,5-disulphonic acid","3-[(2,4-dihydroxyphenyl)diazenyl]naphthalene-1,5-disulfonic acid",Oc3cc(O)ccc3N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O,Oc3cc(O)ccc3N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C16H12N2O8S2/c19-10-4-5-13(14(20)8-10)18-17-9-6-12-11(16(7-9)28(24,25)26)2-1-3-15(12)27(21,22)23/h1-8,19-20H,(H,21,22,23)(H,24,25,26)",C16H12N2O8S2,,,,,,UFXDZIMDGJTGAG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.133,224-345-3,4318-42-7,1-isopropylpiperazine,1-isopropylpiperazine,CC(C)N1CCNCC1,CC(C)N1CCNCC1,"InChI=1/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3",C7H16N2,,,,,,WHKWMTXTYKVFLK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.134,224-346-9,2/02/4319,"3,5-dihydroxy-p-anisic acid","3,5-dihydroxy-4-methoxybenzoic acid",COc1c(O)cc(cc1O)C(=O)O,COc1c(O)cc(cc1O)C(=O)O,"InChI=1/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)",C8H8O5,,,,,,UBXDWYFLYYJQFR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.138,224-351-6,4320-32-5,"1,1-diphenyl-3-dimethylaminobutane-1-ol","3-(dimethylamino)-1,1-diphenylbutan-1-ol",CC(CC(O)(c1ccccc1)c2ccccc2)N(C)C,CC(CC(O)(c1ccccc1)c2ccccc2)N(C)C,"InChI=1/C18H23NO/c1-15(19(2)3)14-18(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,20H,14H2,1-3H3",C18H23NO,,,,,,WJUQNVPPDLPDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.139,224-352-1,4321-69-1,"Disodium 5-acetamido-3-(4-acetamidophenyl)azo-4-hydroxynaphthalene-2,7-disulphonate","disodium 5-acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C20H18N4O9S2.2Na/c1-10(25)21-13-3-5-14(6-4-13)23-24-19-17(35(31,32)33)8-12-7-15(34(28,29)30)9-16(22-11(2)26)18(12)20(19)27;;/h3-9,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H18N4O9S2.2Na,,,,,,HRMOLDWRTCFZRP-UHFFFAOYSA-L,,,,,,,,,,,
100.022.143,224-356-3,4324-37-2,2-methoxypropionic acid,2-methoxypropanoic acid,COC(C)C(=O)O,COC(C)C(=O)O,"InChI=1/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)",C4H8O3,,,,,,ICPWFHKNYYRBSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.145,224-358-4,4325-25-1,"D-gluconic acid, compound with (8a,9R)-6'-methoxycinchonan-9-ol (1:1)",6'-methoxycinchonan-9-ol - D-gluconic acid (1:1),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C20H24N2O2.C6H12O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)",C20H24N2O2.C6H12O7,,,,,,XHKUDCCTVQUHJQ-BILMMMPYSA-N,,,,,,,,,,,
100.022.147,224-361-0,4327-84-8,(p-ammoniophenyl)ethyl(2-hydroxyethyl)ammonium sulphate,"N-ethyl-N-(2-hydroxyethyl)benzene-1,4-diaminium sulfate",CC[NH+](CCO)c1ccc([NH3+])cc1.[O-]S(=O)(=O)[O-],CC[NH+](CCO)c1ccc([NH3+])cc1.[O-]S(=O)(=O)[O-],"InChI=1/C10H16N2O.H2O4S/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4/h3-6,13H,2,7-8,11H2,1H3;(H2,1,2,3,4)",C10H16N2O.H2O4S,,,,,,KAJALVWKFPQZOO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.150,224-364-7,4329-81-1,N-phenylpyridine-2-methylamine,N-(pyridin-2-ylmethyl)aniline,C(Nc1ccccc1)c2ccccn2,C(Nc1ccccc1)c2ccccn2,"InChI=1/C12H12N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-9,14H,10H2",C12H12N2,,,,,,FTCFXBBBKDOQJA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.152,224-366-8,4329-95-7,3-methyl-2-sulphonatobenzothiazolium,"3-methyl-1,3-benzothiazol-3-ium-2-sulfonate",C[n+]1c(sc2ccccc12)S(=O)(=O)[O-],C[n+]1c(sc2ccccc12)S(=O)(=O)[O-],"InChI=1/C8H7NO3S2/c1-9-6-4-2-3-5-7(6)13-8(9)14(10,11)12/h2-5H,1H3",C8H7NO3S2,,,,,,FIJVCJCTVIZODF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.153,224-367-3,4330-21-6,2-deoxydi(p-toluoyl)-a-D-erythro-pentofuranosyl chloride,"2-deoxy-3,5-bis-O-(4-methylbenzoyl)-alpha-D-erythro-pentofuranosyl chloride",O=C(O[C@H]2C[C@@H](Cl)O[C@@H]2COC(=O)c1ccc(C)cc1)c3ccc(C)cc3,O=C(O[C@H]2C[C@@H](Cl)O[C@@H]2COC(=O)c1ccc(C)cc1)c3ccc(C)cc3,"InChI=1/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3",C21H21ClO5,,,,,,FJHSYOMVMMNQJQ-OTWHNJEPSA-N,,,,,,,,,,,
100.022.154,224-368-9,4330-99-8,Alimemazine tartrate,"N,N,2-trimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine 2,3-dihydroxysuccinate (salt)",CC(CN(C)C)CN1c2ccccc2Sc3ccccc13.OC(C(O)C(=O)O)C(=O)O,CC(CN(C)C)CN1c2ccccc2Sc3ccccc13.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C18H22N2S.C4H6O6/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)",C18H22N2S.1/2C4H6O6,,,,,,ZEEPCWVFSHMOPI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.155,224-369-4,4331-54-8,4-methylcyclohexanecarboxylic acid,4-methylcyclohexanecarboxylic acid,CC1CCC(CC1)C(=O)O,CC1CCC(CC1)C(=O)O,"InChI=1/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)",C8H14O2,,,,,,QTDXSEZXAPHVBI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.158,224-373-6,4333-19-1,5-methyl-3-phenyl-2-thioxoimidazolidin-4-one,5-methyl-3-phenyl-2-thioxoimidazolidin-4-one,CC1NC(=S)N(C1=O)c2ccccc2,CC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)",C10H10N2OS,,,,,,XGPFPXALZVOKRI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.158,229-873-8,6798-24-9,8-[3-(m-amidinophenyl)-2-triazeno]-3-amino-5-ethyl-6-phenylphenanthridinium chloride hydrochloride,3-amino-8-[3-(3-carbamimidoylphenyl)triaz-2-en-1-yl]-5-ethyl-6-phenylphenanthridinium chloride hydrochloride,[Cl-].Cl.NC(=N)c1cc(ccc1)N=NNc3ccc4c2ccc(N)cc2[n+](CC)c(c4c3)c5ccccc5,[Cl-].Cl.NC(=N)c1cc(ccc1)N=NNc3ccc4c2ccc(N)cc2[n+](CC)c(c4c3)c5ccccc5,"InChI=1/C28H25N7.2ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);2*1H",C28H26N7.ClH.Cl,,,,,,URSFPCGNENDEFB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.161,229-876-4,6802-75-1,Diethyl isopropylidenemalonate,diethyl isopropylidenemalonate,CCOC(=O)C(=C(C)C)C(=O)OCC,CCOC(=O)C(=C(C)C)C(=O)OCC,"InChI=1/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3",C10H16O4,,,,,,WEISAZNMMVPNTH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.165,229-881-1,6807-11-0,2-(p-tolyloxy)ethyl acetate,2-(4-methylphenoxy)ethyl acetate,CC(=O)OCCOc1ccc(C)cc1,CC(=O)OCCOc1ccc(C)cc1,"InChI=1/C11H14O3/c1-9-3-5-11(6-4-9)14-8-7-13-10(2)12/h3-6H,7-8H2,1-2H3",C11H14O3,,,,,,ZJMLZGKLUMJGSL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.167,229-883-2,6808-72-6,"(S)-2,3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methylspiro[cyclohexa-2,5-diene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one","6'-hydroxy-5'-methoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one",COc1cc2CCN(C)[C@H]3CC4(C=CC(=O)C=C4)c(c1O)c23,COc1cc2CCN(C)[C@H]3CC4(C=CC(=O)C=C4)c(c1O)c23,"InChI=1/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3",C18H19NO3,,,,,,PNJUPRNTSWJWAX-ZDUSSCGKSA-N,,,,,,,,,,,
100.027.168,229-884-8,6809-70-7,"3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol","3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C22H46O12/c23-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-26-4-2-24/h23-24H,1-22H2",C22H46O12,,,,,,PSVXZQVXSXSQRO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.177,229-894-2,6819-19-8,3-(4-methylcyclohex-3-enyl)but-3-enyl acetate,3-(4-methylcyclohex-3-en-1-yl)but-3-en-1-yl acetate,CC(=O)OCCC(=C)C1CCC(=CC1)C,CC(=O)OCCC(=C)C1CCC(=CC1)C,"InChI=1/C13H20O2/c1-10-4-6-13(7-5-10)11(2)8-9-15-12(3)14/h4,13H,2,5-9H2,1,3H3",C13H20O2,,,,,,IVIORUOCIAMOLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.180,229-897-9,6821-94-9,Dibutylbis[(dibutylthiocarbamoyl)thio]stannane,"N,N,3,3,6-pentabutyl-1,5-dithioxo-2,4-dithia-6-aza-3-stannadecan-1-amine",CCCCN(CCCC)C(=S)S[Sn](CCCC)(CCCC)SC(=S)N(CCCC)CCCC,CCCCN(CCCC)C(=S)S[Sn](CCCC)(CCCC)SC(=S)N(CCCC)CCCC,"InChI=1/2C9H19NS2.2C4H9.Sn/c2*1-3-5-7-10(9(11)12)8-6-4-2;2*1-3-4-2;/h2*3-8H2,1-2H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H54N2S4Sn/c1-7-13-19-27(20-14-8-2)25(29)31-33(23-17-11-5,24-18-12-6)32-26(30)28(21-15-9-3)22-16-10-4/h7-24H2,1-6H3",C26H54N2S4Sn,,,,,,MZALSSKSVYPDCR-UHFFFAOYSA-L,,,,,,,,,,,
100.027.185,229-904-5,6829-22-7,"14H-benz[4,5]isoquino[2,1-a]perimidin-14-one","14H-benzo[4,5]isoquino[2,1-a]perimidin-14-one",O=C1N2C(=Nc3cccc4cccc2c34)c5cccc6cccc1c56,O=C1N2C(=Nc3cccc4cccc2c34)c5cccc6cccc1c56,InChI=1/C22H12N2O/c25-22-16-10-2-6-13-5-1-9-15(19(13)16)21-23-17-11-3-7-14-8-4-12-18(20(14)17)24(21)22/h1-12H,C22H12N2O,,,,,,NIDFGXDXQKPZMA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.186,229-905-0,6829-40-9,Diethyl aminomalonate,diethyl aminomalonate,CCOC(=O)C(N)C(=O)OCC,CCOC(=O)C(N)C(=O)OCC,"InChI=1/C7H13NO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4,8H2,1-2H3",C7H13NO4,,,,,,WLTCKEHCTUYJGI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.696,216-165-9,1516-32-1,Butyl-2-thiourea,1-butylthiourea,CCCCNC(=S)N,CCCCNC(=S)N,"InChI=1/C5H12N2S/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)",C5H12N2S,,,,,,GMEGXJPUFRVCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.698,216-168-5,1516-64-9,"(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene","1,1,1,2,3,4,4,4-octafluorobut-2-ene",F\\C(=C(\\F)/C(F)(F)F)\\C(F)(F)F,F\C(=C(\F)/C(F)(F)F)\C(F)(F)F,"InChI=1/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12",C4F8,,,,,,WSJULBMCKQTTIG-OWOJBTEDSA-N,,,,,,,,,,,
100.014.699,216-169-0,1516-74-1,2-azido-1H-benzimidazole,2-azido-1H-benzimidazole,[N-]=[N+]=Nc1nc2ccccc2[nH]1,[N-]=[N+]=Nc1nc2ccccc2[nH]1,"InChI=1/C7H5N5/c8-12-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)",C7H5N5,,,,,,CFRSLTHRDZOACJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.700,216-170-6,1516-80-9,Ethoxytriphenylsilane,ethoxy(triphenyl)silane,CCO[Si](c1ccccc1)(c2ccccc2)c3ccccc3,CCO[Si](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H20OSi/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3",C20H20OSi,,,,,,ZVJXKUWNRVOUTI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.702,216-172-7,1517-72-2,Naphthylethanol,1-(1-naphthyl)ethanol,CC(O)c1cccc2ccccc12,CC(O)c1cccc2ccccc12,"InChI=1/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3",C12H12O,,,,,,CDRQOYRPWJULJN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.704,216-174-8,1518-16-7,"2,2'-(2,5-cyclohexadiene-1,4-diylidene)bismalononitrile","2,2'-cyclohexa-2,5-diene-1,4-diylidenedimalononitrile",N#CC(=C1C=CC(=C(C#N)C#N)C=C1)C#N,N#CC(=C1C=CC(=C(C#N)C#N)C=C1)C#N,InChI=1/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H,C12H4N4,,,,,,PCCVSPMFGIFTHU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.625,230-387-3,7085-44-1,Chlorothiazide sodium,-,[Na+].NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,[Na+].NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,"InChI=1/C7H6ClN3O4S2.Na/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5;/h1-3H,(H,10,11)(H2,9,12,13);/q;+1",C7H6ClN3O4S2.Na,,,,,,QWHNHXBPLJPMPV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.638,230-401-8,7094-94-2,(chloroacetoxy)triphenylstannane,(2-chloroacetoxy)(triphenyl)stannane,ClCC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,ClCC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;3-1-2(4)5;/h3*1-5H;1H2,(H,4,5);/q;;;;+1/p-1/rC20H17ClO2Sn/c21-16-20(22)23-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2",C20H17ClO2Sn,,,,,,XOFYGTPELGZPLY-UHFFFAOYSA-M,,,,,,,,,,,
100.027.640,230-403-9,9/07/7098,1-ethyl-1H-imidazole,1-ethyl-1H-imidazole,CCn1ccnc1,CCn1ccnc1,"InChI=1/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3",C5H8N2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16442,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.640,IWDFHWZHHOSSGR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.474,233-536-0,10220-66-3,3-mercapto-N-phenylpropionamide,N-phenyl-3-sulfanylpropanamide,SCCC(=O)Nc1ccccc1,SCCC(=O)Nc1ccccc1,"InChI=1/C9H11NOS/c11-9(6-7-12)10-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)",C9H11NOS,,,,,,YSPHRFZMBKXSAX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.490,233-553-3,10231-84-2,p-nitrophenyl 6-deoxy-a-L-galactopyranoside,4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside,C[C@@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3",C12H15NO7,,,,,,YILIDCGSXCGACV-SQKFTNEHSA-N,,,,,,,,,,,
100.030.492,233-555-4,10232-91-4,3-(2-ethylbutoxy)propiononitrile,3-(2-ethylbutoxy)propanenitrile,CCC(CC)COCCC#N,CCC(CC)COCCC#N,"InChI=1/C9H17NO/c1-3-9(4-2)8-11-7-5-6-10/h9H,3-5,7-8H2,1-2H3",C9H17NO,,,,,,HHTFLOIAOFXJDD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.493,233-557-5,10232-93-6,Bis(2-methoxyethyl) maleate,bis(2-methoxyethyl) but-2-enedioate,COCCOC(=O)\\C=C/C(=O)OCCOC,COCCOC(=O)\C=C/C(=O)OCCOC,"InChI=1/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3",C10H16O6,,,,,,INJVHPRSHKTTBD-ARJAWSKDSA-N,,,,,,,,,,,
100.030.496,233-560-1,10233-13-3,Isopropyl laurate,isopropyl laurate,CCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3",C15H30O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14167,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.496,UJPPXNXOEVDSRW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.389,226-827-9,5495-84-1,2-isopropyl-9H-thioxanthen-9-one,2-isopropyl-9H-thioxanthen-9-one,CC(C)c1ccc2Sc3ccccc3C(=O)c2c1,CC(C)c1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3",C16H14OS,,,,,,KTALPKYXQZGAEG-UHFFFAOYSA-N,Positive,SM880001,[M+H]+,HCD35,255.0839:213.0369:184.0341,CASMI_2016,,,,,
100.024.390,226-828-4,5495-87-4,2-(tert-butyl)-9H-thioxanthen-9-one,2-tert-butyl-9H-thioxanthen-9-one,CC(C)(C)c1ccc2Sc3ccccc3C(=O)c2c1,CC(C)(C)c1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C17H16OS/c1-17(2,3)11-8-9-15-13(10-11)16(18)12-6-4-5-7-14(12)19-15/h4-10H,1-3H3",C17H16OS,,,,,,LFCIPFQOPWQEPF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.354,228-989-6,6387-14-0,6-amino-5-chlorotoluene-3-sulphonic acid,4-amino-3-chloro-5-methylbenzenesulfonic acid,Cc1cc(cc(Cl)c1N)S(=O)(=O)O,Cc1cc(cc(Cl)c1N)S(=O)(=O)O,"InChI=1/C7H8ClNO3S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,9H2,1H3,(H,10,11,12)",C7H8ClNO3S,,,,,,DTQVHBIQMCFTSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.359,228-994-3,6387-89-9,"2,3-epoxypropyl acetate",oxiran-2-ylmethyl acetate,CC(=O)OCC1CO1,CC(=O)OCC1CO1,"InChI=1/C5H8O3/c1-4(6)7-2-5-3-8-5/h5H,2-3H2,1H3",C5H8O3,,,,,,JKXONPYJVWEAEL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.362,228-998-5,6388-74-5,(p-nitrophenyl)oxirane,2-(4-nitrophenyl)oxirane,[O-][N+](=O)c1ccc(cc1)C2CO2,[O-][N+](=O)c1ccc(cc1)C2CO2,"InChI=1/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2",C8H7NO3,,,,,,YKIUTLHCSNCTDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.366,229-002-1,6392-46-7,Allyxycarb,"4-(diallylamino)-3,5-dimethylphenyl methylcarbamate",CNC(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1,CNC(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1,"InChI=1/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)",C16H22N2O2,,,,,,FBEHFRAORPEGFH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.368,229-004-2,6393-42-6,"2,6-dinitro-p-toluidine","4-methyl-2,6-dinitroaniline",Cc1cc(c(N)c(c1)[N+](=O)[O-])[N+](=O)[O-],Cc1cc(c(N)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H7N3O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,8H2,1H3",C7H7N3O4,,,,,,MOOOPNRPJGZXPE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.000,230-800-7,7325-26-0,Chlorodioctylaluminium,chloro(dioctyl)aluminum,CCCCCCCC[Al](Cl)CCCCCCCC,CCCCCCCC[Al](Cl)CCCCCCCC,"InChI=1/2C8H17.Al.ClH/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;1H/q;;+1;/p-1/rC16H34AlCl/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34AlCl,,,,,,QRQUTSPLBBZERR-UHFFFAOYSA-M,,,,,,,,,,,
100.028.006,230-807-5,7327-69-7,"Tetrahydro-3,5-bis(hydroxymethyl)-4H-1,3,5-oxadiazin-4-one","3,5-bis(hydroxymethyl)-1,3,5-oxadiazinan-4-one",OCN1COCN(CO)C1=O,OCN1COCN(CO)C1=O,"InChI=1/C5H10N2O4/c8-1-6-3-11-4-7(2-9)5(6)10/h8-9H,1-4H2",C5H10N2O4,,,,,,QQAVKLGSLZBVBF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.164,225-481-6,4874-14-0,Tetrahydro-4-thioxo-1H-pyrimidin-2-one,4-thioxotetrahydropyrimidin-2(1H)-one,O=C1NCCC(=S)N1,O=C1NCCC(=S)N1,"InChI=1/C4H6N2OS/c7-4-5-2-1-3(8)6-4/h1-2H2,(H2,5,6,7,8)",C4H6N2OS,,,,,,DRSFFSGDEDDDFA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.167,225-484-2,4876-45-3,Camphotamide,"3-(diethylcarbamoyl)-1-methylpyridinium 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate",CCN(CC)C(=O)c1ccc[n+](C)c1.CC2(C)C3CCC2(C)C(=O)C3S(=O)(=O)[O-],CCN(CC)C(=O)c1ccc[n+](C)c1.CC2(C)C3CCC2(C)C(=O)C3S(=O)(=O)[O-],"InChI=1/C11H17N2O.C10H16O4S/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h6-9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13,14)/q+1;/p-1",C11H17N2O.C10H15O4S,,,,,,QPHACUMLBDXKIF-UHFFFAOYSA-M,,,,,,,,,,,
100.023.170,225-487-9,4876-60-2,"1,4'-bipiperidine dihydrochloride","1,4'-bipiperidine dihydrochloride",Cl.Cl.C1CCN(CC1)C2CCNCC2,Cl.Cl.C1CCN(CC1)C2CCNCC2,"InChI=1/C10H20N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h10-11H,1-9H2;2*1H",C10H20N2.2ClH,,,,,,BBQDEKNMSAXDAK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.172,225-490-5,4880-88-0,"(3a,16a)-eburnamenin-14(15H)-one","14,15-dihydroeburnamenin-14-one",CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45,CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45,"InChI=1/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3",C19H22N2O,,,,,,WYJAPUKIYAZSEM-MOPGFXCFSA-N,,,,,,,,,,,
100.023.173,225-491-0,4880-92-6,Apovincamine,methyl eburnamenine-14-carboxylate,CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)OC)c5ccccc45,CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)OC)c5ccccc45,"InChI=1/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3",C21H24N2O2,,,,,,OZDNDGXASTWERN-CTNGQTDRSA-N,,,,,,,,,,,
100.023.177,225-495-2,4884-24-6,"[1,1'-bicyclopentyl]-2-one","1,1'-bi(cyclopentyl)-2-one",O=C1CCCC1C2CCCC2,O=C1CCCC1C2CCCC2,"InChI=1/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2",C10H16O,,,,,,CWZGKTMWPFTJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.201,225-521-2,4897-25-0,5-chloro-1-methyl-4-nitroimidazole,5-chloro-1-methyl-4-nitro-1H-imidazole,Cn1cnc(c1Cl)[N+](=O)[O-],Cn1cnc(c1Cl)[N+](=O)[O-],"InChI=1/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3",C4H4ClN3O2,,,,,,OSJUNMSWBBOTQU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.203,225-523-3,4897-84-1,Methyl 4-bromobutyrate,methyl 4-bromobutanoate,COC(=O)CCCBr,COC(=O)CCCBr,"InChI=1/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3",C5H9BrO2,,,,,,QAWFLJGZSZIZHO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.986,214-284-0,1119-62-6,"3,3'-dithiobispropionic acid","3,3'-disulfanediyldipropanoic acid",OC(=O)CCSSCCC(=O)O,OC(=O)CCSSCCC(=O)O,"InChI=1/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)",C6H10O4S2,,,,,,YCLSOMLVSHPPFV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.989,214-287-7,1119-85-3,Hex-3-enedinitrile,hex-3-enedinitrile,N#CCC=CCC#N,N#CCC=CCC#N,"InChI=1/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2",C6H6N2,,,,,,BSVZXPLUMFUWHW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.002,214-301-1,1120-23-6,1-[2-(2-chloroethoxy)ethoxy]butane,1-[2-(2-chloroethoxy)ethoxy]butane,CCCCOCCOCCCl,CCCCOCCOCCCl,"InChI=1/C8H17ClO2/c1-2-3-5-10-7-8-11-6-4-9/h2-8H2,1H3",C8H17ClO2,,,,,,DZWMJKOIMKFXIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.003,214-302-7,1120-24-7,Decyldimethylamine,"N,N-dimethyldecan-1-amine",CCCCCCCCCCN(C)C,CCCCCCCCCCN(C)C,"InChI=1/C12H27N/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-12H2,1-3H3",C12H27N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14493,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.003,YWWNNLPSZSEZNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.005,214-304-8,1120-28-1,Methyl icosanoate,methyl icosanoate,CCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3",C21H42O2,,,,,,QGBRLVONZXHAKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.008,214-307-4,1120-44-1,Copper dioleate,copper(2+) dioctadec-9-enoate,[Cu+2].[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC,[Cu+2].[O-]C(=O)CCCCCCC/C=C\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1/2C18H34O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Cu,,,,,,SVOAENZIOKPANY-CVBJKYQLSA-L,,,,,,,,,,,
100.013.009,214-309-5,1120-45-2,Iron trioleate,iron(3+) trioctadec-9-enoate,[Fe+3].[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC,[Fe+3].[O-]C(=O)CCCCCCC/C=C\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1/3C18H34O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H34O2.1/3Fe,,,,,,HOIQWTMREPWSJY-GNOQXXQHSA-K,,,,,,,,,,,
100.013.013,214-313-7,1120-56-5,Methylenecyclobutane,methylenecyclobutane,C=C1CCC1,C=C1CCC1,InChI=1/C5H8/c1-5-3-2-4-5/h1-4H2,C5H8,,,,,,QIRVGKYPAOQVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.015,214-315-8,1120-62-3,3-methylcyclopentene,3-methylcyclopentene,CC1CCC=C1,CC1CCC=C1,"InChI=1/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3",C6H10,,,,,,CXOZQHPXKPDQGT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.018,214-318-4,1120-72-5,2-methylcyclopentanone,2-methylcyclopentanone,CC1CCCC1=O,CC1CCCC1=O,"InChI=1/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3",C6H10O,,,,,,ZIXLDMFVRPABBX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.160,224-375-7,4333-56-6,Bromocyclopropane,bromocyclopropane,BrC1CC1,BrC1CC1,"InChI=1/C3H5Br/c4-3-1-2-3/h3H,1-2H2",C3H5Br,,,,,,LKXYJYDRLBPHRS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.161,224-376-2,5/09/4335,"Disodium 4-amino-5-hydroxy-6-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-6-({4'-[(4-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc6ccc(N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)cc6,[Na+].[Na+].Oc6ccc(N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)cc6,"InChI=1/C34H24N8O10S2.2Na/c35-31-30-21(17-28(53(47,48)49)32(31)40-38-24-9-13-26(14-10-24)42(45)46)18-29(54(50,51)52)33(34(30)44)41-39-23-7-3-20(4-8-23)19-1-5-22(6-2-19)36-37-25-11-15-27(43)16-12-25;;/h1-18,43-44H,35H2,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C34H24N8O10S2.2Na,,,,,,VLFKFKCRUCJVNE-UHFFFAOYSA-L,,,,,,,,,,,
100.022.167,224-383-0,4336-70-3,(cyanomethyl)triphenylphosphonium chloride,(cyanomethyl)(triphenyl)phosphonium chloride,[Cl-].N#CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].N#CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H17NP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1",C20H17NP.Cl,,,,,,ARPLQAMUUDIHIT-UHFFFAOYSA-M,,,,,,,,,,,
100.022.172,224-388-8,4337-75-1,Sodium 2-[methyl(1-oxododecyl)amino]ethanesulphonate,sodium 2-[dodecanoyl(methyl)amino]ethanesulfonate,[Na+].CCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],"InChI=1/C15H31NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-15(17)16(2)13-14-21(18,19)20;/h3-14H2,1-2H3,(H,18,19,20);/q;+1/p-1",C15H31NO4S.Na,,,,,,CAVXVRQDZKMZDB-UHFFFAOYSA-M,,,,,,,,,,,
100.023.336,225-669-8,5001-72-9,"Disodium 7,7'-iminobis[4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate]","disodium 7,7'-iminobis[4-hydroxy-3-(phenyldiazenyl)naphthalene-2-sulfonate]",[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5)c6O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5)c6O)S([O-])(=O)=O,"InChI=1/C32H23N5O8S2.2Na/c38-31-25-13-11-23(15-19(25)17-27(46(40,41)42)29(31)36-34-21-7-3-1-4-8-21)33-24-12-14-26-20(16-24)18-28(47(43,44)45)30(32(26)39)37-35-22-9-5-2-6-10-22;;/h1-18,33,38-39H,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C32H23N5O8S2.2Na,,,,,,OYUZMQYZGSMPII-UHFFFAOYSA-L,,,,,,,,,,,
100.023.337,225-670-3,5001-80-9,"[(6-amino-1,3,5-triazine-2,4-diyl)diimino]bismethanol","[(6-amino-1,3,5-triazine-2,4-diyl)diimino]dimethanol",Nc1nc(NCO)nc(NCO)n1,Nc1nc(NCO)nc(NCO)n1,"InChI=1/C5H10N6O2/c6-3-9-4(7-1-12)11-5(10-3)8-2-13/h12-13H,1-2H2,(H4,6,7,8,9,10,11)",C5H10N6O2,,,,,,SUPOBRXPULIDDX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.338,225-671-9,5001-82-1,"Tetrahydro-1,3,4-tris(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,4-tris(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",OCN1C2C(NC1=O)N(CO)C(=O)N2CO,OCN1C2C(NC1=O)N(CO)C(=O)N2CO,"InChI=1/C7H12N4O5/c12-1-9-4-5(11(3-14)7(9)16)10(2-13)6(15)8-4/h4-5,12-14H,1-3H2,(H,8,15)",C7H12N4O5,,,,,,IQAIFQCNPCBECX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.348,225-682-9,5006-66-6,6-hydroxynicotinic acid,6-hydroxynicotinic acid,OC(=O)c1ccc(O)nc1,OC(=O)c1ccc(O)nc1,"InChI=1/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)",C6H5NO3,,,,,,BLHCMGRVFXRYRN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.352,225-687-6,5009-31-4,(Z)-1-bromohex-3-ene,1-bromohex-3-ene,CC\\C=C/CCBr,CC\C=C/CCBr,"InChI=1/C6H11Br/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3",C6H11Br,,,,,,HSNATJOWAYTBGM-ARJAWSKDSA-N,,,,,,,,,,,
100.023.353,225-688-1,5009-33-6,Dodec-11-en-2-one,dodec-11-en-2-one,CC(=O)CCCCCCCCC=C,CC(=O)CCCCCCCCC=C,"InChI=1/C12H22O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3H,1,4-11H2,2H3",C12H22O,,,,,,OPLPMLGBZCNBGS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.356,225-691-8,5012-29-3,"N-(4-ethoxyphenyl)-3-hydroxy-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide","N-(4-ethoxyphenyl)-3-hydroxy-4-[(2,4,5-trichlorophenyl)diazenyl]-2-naphthamide",Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(OCC)cc1)c2O)c(Cl)cc4Cl,Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(OCC)cc1)c2O)c(Cl)cc4Cl,"InChI=1/C25H18Cl3N3O3/c1-2-34-16-9-7-15(8-10-16)29-25(33)18-11-14-5-3-4-6-17(14)23(24(18)32)31-30-22-13-20(27)19(26)12-21(22)28/h3-13,32H,2H2,1H3,(H,29,33)",C25H18Cl3N3O3,,,,,,NADZJYYXBITLCC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.357,225-692-3,5012-62-4,"2,6-bis(1-methylheptadecyl)-p-cresol","4-methyl-2,6-bis(1-methylheptadecyl)phenol",CCCCCCCCCCCCCCCCC(C)c1cc(C)cc(C(C)CCCCCCCCCCCCCCCC)c1O,CCCCCCCCCCCCCCCCC(C)c1cc(C)cc(C(C)CCCCCCCCCCCCCCCC)c1O,"InChI=1/C43H80O/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(4)41-36-38(3)37-42(43(41)44)40(5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36-37,39-40,44H,6-35H2,1-5H3",C43H80O,,,,,,GXUYCJJDHBJKHA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.363,225-699-1,5018-38-2,"4,6-dichloro-5-methoxypyrimidine","4,6-dichloro-5-methoxypyrimidine",COc1c(Cl)ncnc1Cl,COc1c(Cl)ncnc1Cl,"InChI=1/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3",C5H4Cl2N2O,,,,,,IJQIGKLDBGKSNT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.710,216-181-6,1519-23-9,2-methylbutyric anhydride,2-methylbutanoic anhydride,CCC(C)C(=O)OC(=O)C(C)CC,CCC(C)C(=O)OC(=O)C(C)CC,"InChI=1/C10H18O3/c1-5-7(3)9(11)13-10(12)8(4)6-2/h7-8H,5-6H2,1-4H3",C10H18O3,,,,,,WRTPVONNQPWNRH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.714,216-185-8,1520-21-4,4-vinylaniline,4-vinylaniline,Nc1ccc(C=C)cc1,Nc1ccc(C=C)cc1,"InChI=1/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2",C8H9N,,,,,,LBSXSAXOLABXMF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.719,216-191-0,1522-22-1,"1,1,1,5,5,5-hexafluoropentane-2,4-dione","1,1,1,5,5,5-hexafluoropentane-2,4-dione",FC(F)(F)C(=O)CC(=O)C(F)(F)F,FC(F)(F)C(=O)CC(=O)C(F)(F)F,"InChI=1/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2",C5H2F6O2,,,,,,QAMFBRUWYYMMGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.722,216-194-7,1523-11-1,2-naphthyl acetate,2-naphthyl acetate,CC(=O)Oc1ccc2ccccc2c1,CC(=O)Oc1ccc2ccccc2c1,"InChI=1/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3",C12H10O2,,,,,,RJNPPEUAJCEUPV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.729,216-201-3,1527-89-5,3-methoxybenzonitrile,3-methoxybenzonitrile,COc1cccc(c1)C#N,COc1cccc(c1)C#N,"InChI=1/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3",C8H7NO,,,,,,KLXSUMLEPNAZFK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.730,216-202-9,1528-01-4,Tributylmethylstannane,"(1,1-dibutylpentyl)stannane",CCCCC([Sn])(CCCC)CCCC,CCCCC([Sn])(CCCC)CCCC,"InChI=1/C13H27.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;/q;+3/rC13H27Sn/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3/q+3",C13H30Sn,,,,,,AXIWMQQESQUKLL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.744,216-218-6,1529-58-4,Tritetradecylaluminium,tritetradecylaluminum,CCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCC)CCCCCCCCCCCCCC,CCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCC)CCCCCCCCCCCCCC,"InChI=1/3C14H29.Al/c3*1-3-5-7-9-11-13-14-12-10-8-6-4-2;/h3*1,3-14H2,2H3;/rC42H87Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3",C42H87Al,,,,,,JVIKNVRZMNQFFL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.745,216-219-1,1529-59-5,Tridodecylaluminium,tridodecylaluminum,CCCCCCCCCCCC[Al](CCCCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCC[Al](CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/3C12H25.Al/c3*1-3-5-7-9-11-12-10-8-6-4-2;/h3*1,3-12H2,2H3;/rC36H75Al/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",C36H75Al,,,,,,XBEXIHMRFRFRAM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.981,225-279-8,4753-80-4,Thiepane,thiepane,C1CCCSCC1,C1CCCSCC1,InChI=1/C6H12S/c1-2-4-6-7-5-3-1/h1-6H2,C6H12S,,,,,,JWCVYQRPINPYQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.986,225-285-0,4755-77-5,Ethyl chloroglyoxylate,ethyl chloro(oxo)acetate,CCOC(=O)C(=O)Cl,CCOC(=O)C(=O)Cl,"InChI=1/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3",C4H5ClO3,,,,,,OWZFULPEVHKEKS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.993,225-292-9,4756-75-6,Triphenylstibine oxide,triphenylstibine oxide,O=[Sb](c1ccccc1)(c2ccccc2)c3ccccc3,O=[Sb](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.O.Sb/c3*1-2-4-6-5-3-1;;/h3*1-5H;;/rC18H15OSb/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15OSb,,,,,,RIBJLXBLWQKWLO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.997,225-297-6,4760-34-3,"N-methylbenzene-1,2-diamine","N-methylbenzene-1,2-diamine",CNc1ccccc1N,CNc1ccccc1N,"InChI=1/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3",C7H10N2,,,,,,RPKCLSMBVQLWIN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.125,225-438-1,4847-93-2,"3-piperidinopropane-1,2-diol","3-piperidin-1-ylpropane-1,2-diol",OCC(O)CN1CCCCC1,OCC(O)CN1CCCCC1,"InChI=1/C8H17NO2/c10-7-8(11)6-9-4-2-1-3-5-9/h8,10-11H,1-7H2",C8H17NO2,,,,,,MECNWXGGNCJFQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.138,225-452-8,9/04/4857,2-chloromethylbenzimidazole,2-(chloromethyl)-1H-benzimidazole,ClCc1nc2ccccc2[nH]1,ClCc1nc2ccccc2[nH]1,"InChI=1/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)",C8H7ClN2,,,,,,SPMLMLQATWNZEE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.140,225-454-9,4857-42-5,3-methylisoxazole-5-carboxylic acid,3-methylisoxazole-5-carboxylic acid,Cc1cc(on1)C(=O)O,Cc1cc(on1)C(=O)O,"InChI=1/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)",C5H5NO3,,,,,,HXIYCKAAQPHZBM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.150,225-465-9,4861-58-9,1-methylbutylthiophene,2-(1-methylbutyl)thiophene,CCCC(C)c1cccs1,CCCC(C)c1cccs1,"InChI=1/C9H14S/c1-3-5-8(2)9-6-4-7-10-9/h4,6-8H,3,5H2,1-2H3",C9H14S,,,,,,FVTHCJUTHGXOQO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.151,225-466-4,4861-79-4,Methoxy(methyl carbonato-O)magnesium,magnesium methyl carbonate methanolate,CO[Mg]OC(=O)OC,CO[Mg]OC(=O)OC,"InChI=1/C2H4O3.CH3O.Mg/c1-5-2(3)4;1-2;/h1H3,(H,3,4);1H3;/q;-1;+2/p-1/rC3H6MgO4/c1-6-3(5)8-4-7-2/h1-2H3",C3H6MgO4,,,,,,PNVKCUSCADAAMP-UHFFFAOYSA-M,,,,,,,,,,,
100.012.925,214-217-5,1114-81-4,Threoninium dihydrogen phosphate,O-phosphonothreonine,CC(OP(=O)(O)O)C(N)C(=O)O,CC(OP(=O)(O)O)C(N)C(=O)O,"InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)",C4H10NO6P,,,,,,USRGIUJOYOXOQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.013,230-814-3,7328-28-1,Tris[2-bromo-1-(chloromethyl)ethyl] phosphate,tris[2-bromo-1-(chloromethyl)ethyl] phosphate,ClCC(CBr)OP(=O)(OC(CCl)CBr)OC(CCl)CBr,ClCC(CBr)OP(=O)(OC(CCl)CBr)OC(CCl)CBr,"InChI=1/C9H15Br3Cl3O4P/c10-1-7(4-13)17-20(16,18-8(2-11)5-14)19-9(3-12)6-15/h7-9H,1-6H2",C9H15Br3Cl3O4P,,,,,,PJNLXXROLSYGPE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.023,230-825-3,7330-33-8,Di-tert-butyl hexasulphide,di-tert-butylhexasulfane,CC(C)(C)SSSSSSC(C)(C)C,CC(C)(C)SSSSSSC(C)(C)C,"InChI=1/C8H18S6/c1-7(2,3)9-11-13-14-12-10-8(4,5)6/h1-6H3",C8H18S6,,,,,,ISVXFCLKAVEYPW-UHFFFAOYSA-N,,,,,,,,,,,
100.029.989,233-001-1,10006-28-7,Dipotassium silicate,dipotassium oxosilanediolate,[K+].[K+].[O-][Si](=O)[O-],[K+].[K+].[O-][Si](=O)[O-],InChI=1/2K.O3Si/c;;1-4(2)3/q2*+1;-2,H2O3Si.2K,,,,,,NNHHDJVEYQHLHG-UHFFFAOYSA-N,,,,,,,,,,,
100.029.990,233-002-7,10007-85-9,"Potassium 3,6-dichloro-o-anisate","potassium 3,6-dichloro-2-methoxybenzoate",[K+].COc1c(Cl)ccc(Cl)c1C(=O)[O-],[K+].COc1c(Cl)ccc(Cl)c1C(=O)[O-],"InChI=1/C8H6Cl2O3.K/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1",C8H6Cl2O3.K,,,,,,RVJMEWSAFHIEJX-UHFFFAOYSA-M,,,,,,,,,,,
100.029.994,233-006-9,10010-74-9,"2,4-dihydro-4-[(2-hydroxyphenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",Oc3ccccc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,Oc3ccccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C16H14N4O2/c1-11-15(18-17-13-9-5-6-10-14(13)21)16(22)20(19-11)12-7-3-2-4-8-12/h2-10,15,21H,1H3",C16H14N4O2,,,,,,LKMOBUZCNODMQM-UHFFFAOYSA-N,,,,,,,,,,,
100.029.999,233-012-1,10018-19-6,"7,8-dihydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolinium chloride","4-methoxy-6-methyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride",[Cl-].COc1c2OCOc2cc3CC[N+](=Cc13)C,[Cl-].COc1c2OCOc2cc3CC[N+](=Cc13)C,"InChI=1/C12H14NO3.ClH/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;/h5-6H,3-4,7H2,1-2H3;1H/q+1;/p-1",C12H14NO3.Cl,,,,,,BWQAGVANIBSWBW-UHFFFAOYSA-M,,,,,,,,,,,
100.024.000,226-400-7,5393-59-9,Sodium 5-formyl-2-methoxybenzenesulphonate,sodium 5-formyl-2-methoxybenzenesulfonate,[Na+].COc1ccc(C=O)cc1S(=O)(=O)[O-],[Na+].COc1ccc(C=O)cc1S(=O)(=O)[O-],"InChI=1/C8H8O5S.Na/c1-13-7-3-2-6(5-9)4-8(7)14(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1",C8H8O5S.Na,,,,,,MGJFLYWFXJHHSI-UHFFFAOYSA-M,,,,,,,,,,,
100.024.001,226-401-2,5394-18-3,N-(4-bromobutyl)phthalimide,"2-(4-bromobutyl)-1H-isoindole-1,3(2H)-dione",BrCCCCN1C(=O)c2ccccc2C1=O,BrCCCCN1C(=O)c2ccccc2C1=O,"InChI=1/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2",C12H12BrNO2,,,,,,UXFWTIGUWHJKDD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.004,226-404-9,5394-83-2,Camphoric acid,camphoric acid,CC1(C)C(CCC1(C)C(=O)O)C(=O)O,CC1(C)C(CCC1(C)C(=O)O)C(=O)O,"InChI=1/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",C10H16O4,,,,,,LSPHULWDVZXLIL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.011,226-412-2,5396-38-3,p-tert-butylanisole,1-tert-butyl-4-methoxybenzene,COc1ccc(cc1)C(C)(C)C,COc1ccc(cc1)C(C)(C)C,"InChI=1/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3",C11H16O,,,,,,MCUPBIBNSTXCPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.016,226-418-5,6/04/5397,"6-isopropyl-1,3,5-triazine-2,4-diamine","6-isopropyl-1,3,5-triazine-2,4-diamine",CC(C)c1nc(N)nc(N)n1,CC(C)c1nc(N)nc(N)n1,"InChI=1/C6H11N5/c1-3(2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11)",C6H11N5,,,,,,OOEGQLPPMITCBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.017,226-419-0,5397-14-8,Ethyl N-(4-chlorophenyl)-2-oxoglycinate,ethyl [(4-chlorophenyl)amino](oxo)acetate,CCOC(=O)C(=O)Nc1ccc(Cl)cc1,CCOC(=O)C(=O)Nc1ccc(Cl)cc1,"InChI=1/C10H10ClNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13)",C10H10ClNO3,,,,,,JFAOXNRPSKOLNC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.020,226-422-7,5397-64-8,"4-chloro-1,2-dihydropyridazine-3,6-dione","4-chloro-1,2-dihydropyridazine-3,6-dione",ClC1=CC(=O)NNC1=O,ClC1=CC(=O)NNC1=O,"InChI=1/C4H3ClN2O2/c5-2-1-3(8)6-7-4(2)9/h1H,(H,6,8)(H,7,9)",C4H3ClN2O2,,,,,,WNPMDHKYJTZOFF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.022,226-424-8,3/08/5398,Diethyl isopentylmalonate,diethyl (3-methylbutyl)malonate,CCOC(=O)C(CCC(C)C)C(=O)OCC,CCOC(=O)C(CCC(C)C)C(=O)OCC,"InChI=1/C12H22O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h9-10H,5-8H2,1-4H3",C12H22O4,,,,,,MPJCIHOJXMCSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.023,226-425-3,7/10/5398,Diethyl hexylmalonate,diethyl hexylmalonate,CCCCCCC(C(=O)OCC)C(=O)OCC,CCCCCCC(C(=O)OCC)C(=O)OCC,"InChI=1/C13H24O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h11H,4-10H2,1-3H3",C13H24O4,,,,,,HSHMTDVEKPAEGS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.024,226-426-9,8/11/5398,3-phenylphthalide,3-phenyl-2-benzofuran-1(3H)-one,O=C1OC(c2ccccc2)c3ccccc13,O=C1OC(c2ccccc2)c3ccccc13,"InChI=1/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H",C14H10O2,,,,,,SQFMIHCARVMICF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.025,226-427-4,5398-25-4,"2,3-dibromopentane","2,3-dibromopentane",CCC(Br)C(C)Br,CCC(Br)C(C)Br,"InChI=1/C5H10Br2/c1-3-5(7)4(2)6/h4-5H,3H2,1-2H3",C5H10Br2,,,,,,LWBRXRHBXMVUEX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.020,214-321-0,1120-89-4,[2H]benzene,benzene,c1ccccc1,c1ccccc1,InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H,C6H5D,,,,,,UHOVQNZJYSORNB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.022,214-323-1,1120-97-4,"4-methyl-1,3-dioxane","4-methyl-1,3-dioxane",CC1CCOCO1,CC1CCOCO1,"InChI=1/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3",C5H10O2,,,,,,INCCMBMMWVKEGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.023,214-324-7,1120-99-6,"1,2,4-triazin-3-ylamine","1,2,4-triazin-3-amine",Nc1nccnn1,Nc1nccnn1,"InChI=1/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)",C3H4N4,,,,,,MJIWQHRXSLOUJN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.026,214-327-3,1121-25-1,2-methylpyridin-3-ol,2-methylpyridin-3-ol,Cc1ncccc1O,Cc1ncccc1O,"InChI=1/C6H7NO/c1-5-6(8)3-2-4-7-5/h2-4,8H,1H3",C6H7NO,,,,,,AQSRRZGQRFFFGS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.027,214-328-9,1121-30-8,1-hydroxyl-1H-pyridine-2-thione,1-hydroxypyridine-2(1H)-thione,ON1C=CC=CC1=S,ON1C=CC=CC1=S,"InChI=1/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H",C5H5NOS,,,,,,YBBJKCMMCRQZMA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.030,214-332-0,1121-53-5,Benzylsodium,benzylsodium,[Na]Cc1ccccc1,[Na]Cc1ccccc1,"InChI=1/C7H7.Na/c1-7-5-3-2-4-6-7;/h2-6H,1H2;/rC7H7Na/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7Na,,,,,,KEVNYYNJAVFREC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.032,214-334-1,1121-66-0,Cyclohept-2-en-1-one,cyclohept-2-en-1-one,O=C1CCCCC=C1,O=C1CCCCC=C1,"InChI=1/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2",C7H10O,,,,,,WZCRDVTWUYLPTR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.235,229-959-5,6860-97-5,"4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid","4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonic acid",Cc1ccc(cc1)S(=O)(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,Cc1ccc(cc1)S(=O)(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H15NO9S3/c1-10-2-4-12(5-3-10)28(20,21)18-15-8-13(29(22,23)24)6-11-7-14(30(25,26)27)9-16(19)17(11)15/h2-9,18-19H,1H3,(H,22,23,24)(H,25,26,27)",C17H15NO9S3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10846,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.235,QVLDIIYDXICVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.237,229-961-6,6863-58-7,"2,2'-oxybisbutane","2,2'-oxydibutane",CCC(C)OC(C)CC,CCC(C)OC(C)CC,"InChI=1/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3",C8H18O,,,,,,HHBZZTKMMLDNDN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.241,229-965-8,6865-33-4,Calcium diricinoleate,calcium bis(12-hydroxyoctadec-9-enoate),[Ca+2].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Ca+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O3.Ca/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H34O3.1/2Ca,,,,,,PIBVKAIHEACFIN-GNNYBVKZSA-L,,,,,,,,,,,
100.027.248,229-973-1,6872-48-6,"(5a)-7,8-didehydro-4,5-epoxy-3-hydroxymorphinan-6-one","3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-one",Oc1ccc2C[C@H]3NCC[C@@]45[C@H]3C=CC(=O)[C@@H]4Oc1c25,Oc1ccc2C[C@H]3NCC[C@@]45[C@H]3C=CC(=O)[C@@H]4Oc1c25,"InChI=1/C16H15NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,15,17-18H,5-7H2",C16H15NO3,,,,,,GXIMGPIITFBWRH-UIHHKEIPSA-N,,,,,,,,,,,
100.027.249,229-974-7,6873-77-4,"5,8-diethyl-7-hydroxydodecan-6-one oxime","5,8-diethyl-7-hydroxydodecan-6-one oxime",OC(C(=NO)C(CCCC)CC)C(CC)CCCC,OC(C(=NO)C(CCCC)CC)C(CC)CCCC,"InChI=1/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3",C16H33NO2,,,,,,SLCANKHLTWZHRV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.875,231-761-9,7722-71-6,Oleyl dihydrogen phosphate,octadec-9-en-1-yl dihydrogen phosphate,OP(=O)(O)OCCCCCCCC/C=C\\CCCCCCCC,OP(=O)(O)OCCCCCCCC/C=C\CCCCCCCC,"InChI=1/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)",C18H37O4P,,,,,,MEESPVWIOBCLJW-KTKRTIGZSA-N,,,,,,,,,,,
100.028.883,231-770-8,7724-48-3,"2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole","2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole",C1Cc2nc3ccccc3n2C1,C1Cc2nc3ccccc3n2C1,"InChI=1/C10H10N2/c1-2-5-9-8(4-1)11-10-6-3-7-12(9)10/h1-2,4-5H,3,6-7H2",C10H10N2,,,,,,RUFZNDNBXKOZQV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.885,231-772-9,7725-93-1,"1-(2,3-dihydro-4-methyl-2-thioxothiazol-5-yl)ethan-1-one","1-(4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone",CC(=O)C1=C(C)NC(=S)S1,CC(=O)C1=C(C)NC(=S)S1,"InChI=1/C6H7NOS2/c1-3-5(4(2)8)10-6(9)7-3/h1-2H3,(H,7,9)",C6H7NOS2,,,,,,CVQAKSAYAODIKY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.888,231-776-0,7726-51-4,Sodium butan-2-olate,sodium butan-2-olate,[Na+].CCC(C)[O-],[Na+].CCC(C)[O-],"InChI=1/C4H9O.Na/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1",C4H10O.Na,,,,,,VSCLJRSWEGZJNY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.889,231-777-6,7726-52-5,Calcium dibutan-2-olate,calcium dibutan-2-olate,[Ca+2].CCC(C)[O-].CCC(C)[O-],[Ca+2].CCC(C)[O-].CCC(C)[O-],"InChI=1/2C4H9O.Ca/c2*1-3-4(2)5;/h2*4H,3H2,1-2H3;/q2*-1;+2",C4H10O.1/2Ca,,,,,,JMGOMFCHJYZMFS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.890,231-778-1,7726-95-6,Bromine,bromine,BrBr,BrBr,InChI=1/Br2/c1-2,Br2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15150,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.890,GDTBXPJZTBHREO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.364,225-700-5,5018-41-7,6-chloro-5-methoxypyrimidin-4-amine,6-chloro-5-methoxypyrimidin-4-amine,COc1c(N)ncnc1Cl,COc1c(N)ncnc1Cl,"InChI=1/C5H6ClN3O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)",C5H6ClN3O,,,,,,AAJZJNHQPBMCFV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.370,225-706-8,5021-93-2,Diethoxydiethylsilane,diethoxy(diethyl)silane,CCO[Si](CC)(CC)OCC,CCO[Si](CC)(CC)OCC,"InChI=1/C8H20O2Si/c1-5-9-11(7-3,8-4)10-6-2/h5-8H2,1-4H3",C8H20O2Si,,,,,,ZMAPKOCENOWQRE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.000,216-499-5,1602-97-7,Hexadecylammonium chloride,hexadecan-1-aminium chloride,[Cl-].CCCCCCCCCCCCCCCC[NH3+],[Cl-].CCCCCCCCCCCCCCCC[NH3+],"InChI=1/C16H35N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H",C16H35N.ClH,,,,,,ZWGTVKDEOPDFGW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.001,216-500-9,1603-02-7,"2,5,6-triaminopyrimidin-4-ol sulphate","2,5,6-triaminopyrimidin-4-ol sulfate (salt)",Nc1nc(N)c(N)c(O)n1.OS(=O)(=O)O,Nc1nc(N)c(N)c(O)n1.OS(=O)(=O)O,"InChI=1/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)",C4H7N5O4S,,,,,,RSKNEEODWFLVFF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.003,216-503-5,1603-41-4,5-methyl-2-pyridylamine,5-methylpyridin-2-amine,Cc1ccc(N)nc1,Cc1ccc(N)nc1,"InChI=1/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)",C6H8N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18893,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.003,CMBSSVKZOPZBKW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.007,216-507-7,1604-28-0,"6-methylhepta-3,5-dien-2-one","6-methylhepta-3,5-dien-2-one",C/C(C)=C\\C=CC(C)=O,C/C(C)=C\C=CC(C)=O,"InChI=1/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3",C8H12O,,,,,,KSKXSFZGARKWOW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.015,223-116-5,3737-76-6,"Benzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione","benzo[a]naphtho[2,3-h]acridine-5,8,13(14H)-trione",O=C1c2ccccc2C(=O)c3c4Nc5ccc6ccccc6c5C(=O)c4ccc13,O=C1c2ccccc2C(=O)c3c4Nc5ccc6ccccc6c5C(=O)c4ccc13,"InChI=1/C25H13NO3/c27-23-15-7-3-4-8-16(15)24(28)21-17(23)10-11-18-22(21)26-19-12-9-13-5-1-2-6-14(13)20(19)25(18)29/h1-12H,(H,26,29)",C25H13NO3,,,,,,UYDYTUHDRBBLFB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.023,223-124-9,3739-70-6,"5-morpholino-1,2,3,4-thiatriazole","4-(1,2,3,4-thiatriazol-5-yl)morpholine",C1CN(CCO1)c2nnns2,C1CN(CCO1)c2nnns2,InChI=1/C5H8N4OS/c1-3-10-4-2-9(1)5-6-7-8-11-5/h1-4H2,C5H8N4OS,,,,,,GRRGMQBIAJCOBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.025,223-127-5,3740-18-9,"2,4-dichloro-5-(chlorosulphonyl)benzoic acid","2,4-dichloro-5-(chlorosulfonyl)benzoic acid",OC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)Cl,OC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)Cl,"InChI=1/C7H3Cl3O4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)",C7H3Cl3O4S,,,,,,MPUNAIYDVXJQBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.034,223-136-4,8/01/3746,Trivinylphosphine,trivinylphosphine,C=CP(C=C)C=C,C=CP(C=C)C=C,"InChI=1/C6H9P/c1-4-7(5-2)6-3/h4-6H,1-3H2",C6H9P,,,,,,OZHUWVSXUOMDDU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.036,223-139-0,3746-40-5,Nonyl mercaptoacetate,nonyl sulfanylacetate,CCCCCCCCCOC(=O)CS,CCCCCCCCCOC(=O)CS,"InChI=1/C11H22O2S/c1-2-3-4-5-6-7-8-9-13-11(12)10-14/h14H,2-10H2,1H3",C11H22O2S,,,,,,YRIQTCODFIJDKE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.041,223-144-8,3747-47-5,1-(2-hydroxyethyl)-3-phenylurea,1-(2-hydroxyethyl)-3-phenylurea,OCCNC(=O)Nc1ccccc1,OCCNC(=O)Nc1ccccc1,"InChI=1/C9H12N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11,13)",C9H12N2O2,,,,,,RLFMTSNQZYKQLE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.043,223-146-9,3748-13-8,m-bis(1-methylvinyl)benzene,"1,3-diisopropenylbenzene",CC(=C)c1cccc(c1)C(=C)C,CC(=C)c1cccc(c1)C(=C)C,"InChI=1/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3",C12H14,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6627,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.043,IBVPVTPPYGGAEL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.048,223-152-1,8/02/3751,"17,21-dihydroxy-5a-pregnane-3,11,20-trione 21-acetate","17-hydroxy-3,11,20-trioxopregnan-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14,16-17,20,28H,4-12H2,1-3H3",C23H32O6,,,,,,AZCNJEFLSOQGST-DYGPVGJBSA-N,,,,,,,,,,,
100.021.051,223-155-8,7/05/3753,"4,4'-[1,2-ethanediylbis(oxy)]bisbenzoic acid","4,4'-[ethane-1,2-diylbis(oxy)]dibenzoic acid",OC(=O)c1ccc(OCCOc2ccc(cc2)C(=O)O)cc1,OC(=O)c1ccc(OCCOc2ccc(cc2)C(=O)O)cc1,"InChI=1/C16H14O6/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)",C16H14O6,,,,,,VAXBLYWAVAIJJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.053,223-157-9,3753-50-2,"p-[[4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthryl]oxy]phenyl acetate","4-[(4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]phenyl acetate",CC(=O)Oc1ccc(Oc2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O)cc1,CC(=O)Oc1ccc(Oc2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O)cc1,"InChI=1/C22H16N2O7/c1-9(25)30-10-2-4-11(5-3-10)31-15-8-13(24)17-19(20(15)27)22(29)16-12(23)6-7-14(26)18(16)21(17)28/h2-8,26-27H,23-24H2,1H3",C22H16N2O6,,,,,,KBIAWRIWEMMLTI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.059,223-164-7,3758-34-7,"Estra-1,3,5(10)-triene-3,17ß-diol 17-propionate","3-hydroxyestra-1,3,5(10)-trien-17-yl propionate",CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,"InChI=1/C21H28O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h5,7,12,16-19,22H,3-4,6,8-11H2,1-2H3",C21H28O3,,,,,,PQCRZWCSVWBYSC-AGRFSFNASA-N,,,,,,,,,,,
100.012.926,214-218-0,1114-91-6,"Octane-2,4,5,7-tetrone","octane-2,4,5,7-tetrone",CC(=O)CC(=O)C(=O)CC(=O)C,CC(=O)CC(=O)C(=O)CC(=O)C,"InChI=1/C8H10O4/c1-5(9)3-7(11)8(12)4-6(2)10/h3-4H2,1-2H3",C8H10O4,,,,,,TVDDXVUEWIHEHC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.934,214-226-4,1115-63-5,Potassium hydrogen aspartate,potassium hydrogen 2-aminosuccinate,[K+].NC(CC(=O)[O-])C(=O)[O-],[K+].NC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-2",C4H7NO4.K,,,,,,TXXVQZSTAVIHFD-UHFFFAOYSA-L,,,,,,,,,,,
100.012.940,214-233-2,1116-22-9,N-<U+03B3>-L-glutamyl-L-glutamic acid,gamma-glutamylglutamic acid,NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O,NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O,"InChI=1/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)",C10H16N2O7,,,,,,OWQDWQKWSLFFFR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.941,214-234-8,1116-24-1,"N,N-dipropylacetamide","N,N-dipropylacetamide",CCCN(CCC)C(=O)C,CCCN(CCC)C(=O)C,"InChI=1/C8H17NO/c1-4-6-9(7-5-2)8(3)10/h4-7H2,1-3H3",C8H17NO,,,,,,IFTIBNDWGNYRLS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.943,214-236-9,1116-40-1,Triisobutylamine,"N,N-diisobutyl-2-methylpropan-1-amine",CC(C)CN(CC(C)C)CC(C)C,CC(C)CN(CC(C)C)CC(C)C,"InChI=1/C12H27N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27N,,,,,,IIFFFBSAXDNJHX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.947,214-241-6,1116-73-0,Trihexylaluminium,trihexylaluminum,CCCCCC[Al](CCCCCC)CCCCCC,CCCCCC[Al](CCCCCC)CCCCCC,"InChI=1/3C6H13.Al/c3*1-3-5-6-4-2;/h3*1,3-6H2,2H3;/rC18H39Al/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",C18H39Al,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5896,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.947,ORYGRKHDLWYTKX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.953,214-247-9,1117-55-1,Hexyl octanoate,hexyl octanoate,CCCCCCCC(=O)OCCCCCC,CCCCCCCC(=O)OCCCCCC,"InChI=1/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3",C14H28O2,,,,,,PBGWNXWNCSSXCO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.959,214-254-7,1117-86-8,"Octane-1,2-diol","octane-1,2-diol",CCCCCCC(O)CO,CCCCCCC(O)CO,"InChI=1/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3",C8H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14120,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.959,AEIJTFQOBWATKX-UHFFFAOYSA-N,,,,,,,,,,,
100.012.961,214-256-8,1118-02-1,Trimethylsilyl isocyanate,isocyanato(trimethyl)silane,C[Si](C)(C)N=C=O,C[Si](C)(C)N=C=O,"InChI=1/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3",C4H9NOSi,,,,,,NIZHERJWXFHGGU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.962,214-257-3,1118-12-3,tert-butylurea,1-tert-butylurea,CC(C)(C)NC(=O)N,CC(C)(C)NC(=O)N,"InChI=1/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)",C5H12N2O,,,,,,JLEHSYHLHLHPAL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.196,229-916-0,6836-19-7,"7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one","7-methoxy-3,4-dihydronaphthalen-1(2H)-one",COc1ccc2CCCC(=O)c2c1,COc1ccc2CCCC(=O)c2c1,"InChI=1/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3",C11H12O2,,,,,,GABLTKRIYDNDIN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.197,229-917-6,6836-40-4,Pentadecan-6-ol,pentadecan-6-ol,CCCCCCCCCC(O)CCCCC,CCCCCCCCCC(O)CCCCC,"InChI=1/C15H32O/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h15-16H,3-14H2,1-2H3",C15H32O,,,,,,RNZYPFVHWLRVPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.207,229-928-6,6843-49-8,"5-methyl-5-phenylimidazolidine-2,4-dione","5-methyl-5-phenylimidazolidine-2,4-dione",CC1(NC(=O)NC1=O)c2ccccc2,CC1(NC(=O)NC1=O)c2ccccc2,"InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)",C10H10N2O2,,,,,,JNGWGQUYLVSFND-UHFFFAOYSA-N,,,,,,,,,,,
100.027.210,229-931-2,6844-74-2,"Disodium 4-hydroxy-3-phenylazo-5-((p-tolyl)sulphonylamino)naphthalene-2,7-disulphonate","disodium 4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccccc2)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccccc2)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C23H19N3O9S3.2Na/c1-14-7-9-17(10-8-14)36(28,29)26-19-13-18(37(30,31)32)11-15-12-20(38(33,34)35)22(23(27)21(15)19)25-24-16-5-3-2-4-6-16;;/h2-13,26-27H,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H19N3O9S3.2Na,,,,,,MHEPHJHRLWJBBX-UHFFFAOYSA-L,,,,,,,,,,,
100.027.211,229-932-8,6846-21-5,"Disodium 1-amino-4-[N-(4-acetylaminophenyl)amino]anthracene-2,5-disulphonate","disodium 8-[(4-acetamidophenyl)amino]-5-aminoanthracene-1,6-disulfonate",[Na+].[Na+].CC(=O)Nc1ccc(Nc2cc(c(N)c3cc4cccc(c4cc23)S(=O)(=O)[O-])S(=O)(=O)[O-])cc1,[Na+].[Na+].CC(=O)Nc1ccc(Nc2cc(c(N)c3cc4cccc(c4cc23)S(=O)(=O)[O-])S(=O)(=O)[O-])cc1,"InChI=1/C22H19N3O7S2.2Na/c1-12(26)24-14-5-7-15(8-6-14)25-19-11-21(34(30,31)32)22(23)18-9-13-3-2-4-20(33(27,28)29)16(13)10-17(18)19;;/h2-11,25H,23H2,1H3,(H,24,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C22H17N3O9S2.2Na,,,,,,RWXXULMCZQJNON-UHFFFAOYSA-L,,,,,,,,,,,
100.024.026,226-429-5,5398-27-6,"2,6-diiodo-4-nitroaniline","2,6-diiodo-4-nitroaniline",Nc1c(I)cc(cc1I)[N+](=O)[O-],Nc1c(I)cc(cc1I)[N+](=O)[O-],"InChI=1/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",C6H4I2N2O2,,,,,,YPVYMWQYENWFAT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.030,226-433-7,5399-21-3,"3,4-dihydro-6-methyl-2H-pyran-5-carboxylic acid","6-methyl-3,4-dihydro-2H-pyran-5-carboxylic acid",CC1=C(CCCO1)C(=O)O,CC1=C(CCCO1)C(=O)O,"InChI=1/C7H10O3/c1-5-6(7(8)9)3-2-4-10-5/h2-4H2,1H3,(H,8,9)",C7H10O3,,,,,,LPCRMEXGDMZEMF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.397,215-836-3,1424-00-6,Mesterolone,17-hydroxy-1-methylandrostan-3-one,O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@]1(C)[C@@H](O)CC[C@H]12)[C@@]4(C)[C@@H](C)C3,O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@]1(C)[C@@H](O)CC[C@H]12)[C@@]4(C)[C@@H](C)C3,"InChI=1/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3",C20H32O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12497,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.397,UXYRZJKIQKRJCF-TZPFWLJSSA-N,,,,,,,,,,,
100.014.404,215-844-7,1425-63-4,"6,7-dimethyl-2,4-pteridine-2,4-diamine","6,7-dimethylpteridine-2,4-diamine",Cc1nc2nc(N)nc(N)c2nc1C,Cc1nc2nc(N)nc(N)c2nc1C,"InChI=1/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)",C8H10N6,,,,,,NBGMCAGDMQPEBF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.407,215-847-3,1428-33-7,"3-(1,1,2,2-tetrafluoroethoxy)propene","3-(1,1,2,2-tetrafluoroethoxy)prop-1-ene",FC(F)C(F)(F)OCC=C,FC(F)C(F)(F)OCC=C,"InChI=1/C5H6F4O/c1-2-3-10-5(8,9)4(6)7/h2,4H,1,3H2",C5H6F4O,,,,,,DTDFWYZVBJYVPL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.427,215-869-3,1438-14-8,"1,2-epoxy-3-methylbutane",2-isopropyloxirane,CC(C)C1CO1,CC(C)C1CO1,"InChI=1/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3",C5H10O,,,,,,REYZXWIIUPKFTI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.428,215-870-9,1438-16-0,N-aminorhodanine,"3-amino-2-thioxo-1,3-thiazolidin-4-one",NN1C(=O)CSC1=S,NN1C(=O)CSC1=S,"InChI=1/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2",C3H4N2OS2,,,,,,ZBUUHLDYMKTVLT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.429,215-871-4,1438-74-0,Vinylphosphonic dichloride,vinylphosphonic dichloride,ClP(=O)(Cl)C=C,ClP(=O)(Cl)C=C,"InChI=1/C2H3Cl2OP/c1-2-6(3,4)5/h2H,1H2",C2H3Cl2OP,,,,,,MLSZIADXWDYFKM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.430,215-873-5,1438-82-0,Pentamethyldisiloxane,"1,1,1,3,3-pentamethyldisiloxane",C[SiH](C)O[Si](C)(C)C,C[SiH](C)O[Si](C)(C)C,"InChI=1/C5H16OSi2/c1-7(2)6-8(3,4)5/h7H,1-5H3",C5H16OSi2,,,,,,AOJHDNSYXUZCCE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.432,215-875-6,1438-92-2,"1-(2-furyl)propane-1,2-dione","1-(2-furyl)propane-1,2-dione",CC(=O)C(=O)c1occc1,CC(=O)C(=O)c1occc1,"InChI=1/C7H6O3/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3",C7H6O3,,,,,,JXZJRYDTSDCGLO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.433,215-876-1,1438-94-4,1-furfuryl-1H-pyrrole,1-(2-furylmethyl)-1H-pyrrole,C(c1occc1)n2cccc2,C(c1occc1)n2cccc2,"InChI=1/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2",C9H9NO,,,,,,BTBFUBUCCJKJOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.593,228-152-5,6145-74-0,Tris(2-chloropropyl) phosphite,tris(2-chloropropyl) phosphite,CC(Cl)COP(OCC(C)Cl)OCC(C)Cl,CC(Cl)COP(OCC(C)Cl)OCC(C)Cl,"InChI=1/C9H18Cl3O3P/c1-7(10)4-13-16(14-5-8(2)11)15-6-9(3)12/h7-9H,4-6H2,1-3H3",C9H18Cl3O3P,,,,,,ZLOPAJAMUJNFFN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.594,228-153-0,6146-52-7,5-nitroindole,5-nitro-1H-indole,[O-][N+](=O)c1ccc2[nH]ccc2c1,[O-][N+](=O)c1ccc2[nH]ccc2c1,"InChI=1/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H",C8H6N2O2,,,,,,OZFPSOBLQZPIAV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.599,228-158-8,7/03/6149,Sodium p-octylbenzenesulphonate,sodium 4-octylbenzenesulfonate,[Na+].CCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C14H22O3S.Na/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;/h9-12H,2-8H2,1H3,(H,15,16,17);/q;+1/p-1",C14H22O3S.Na,,,,,,ASJUTVUXOMPOQH-UHFFFAOYSA-M,,,,,,,,,,,
100.025.601,228-160-9,6150-68-1,Calcium di(L-lysinate),"calcium bis(2,6-diaminohexanoate)",[Ca+2].NCCCC[C@H](N)C(=O)[O-].NCCCC[C@H](N)C(=O)[O-],[Ca+2].NCCCC[C@H](N)C(=O)[O-].NCCCC[C@H](N)C(=O)[O-],"InChI=1/2C6H14N2O2.Ca/c2*7-4-2-1-3-5(8)6(9)10;/h2*5H,1-4,7-8H2,(H,9,10);/q;;+2/p-2",C6H14N2O2.1/2Ca,,,,,,IFJWCHSJEZRVMN-MDTVQASCSA-L,,,,,,,,,,,
100.025.602,228-161-4,6150-97-6,"Magnesium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate","magnesium bis{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate}",[Mg+2].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2.CN(CS(=O)(=O)[O-])C3=C(C)N(C)N(C3=O)c4ccccc4,[Mg+2].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2.CN(CS(=O)(=O)[O-])C3=C(C)N(C)N(C3=O)c4ccccc4,"InChI=1/2C13H17N3O4S.Mg/c2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h2*4-8H,9H2,1-3H3,(H,18,19,20);/q;;+2/p-2",C13H17N3O4S.1/2Mg,,,,,,NHMUJYOBLYTIKO-UHFFFAOYSA-L,,,,,,,,,,,
100.025.603,228-163-5,6151-06-0,3-(benzoyloxy)-2-methyl-4H-pyran-4-one,2-methyl-4-oxo-4H-pyran-3-yl benzoate,CC1=C(OC(=O)c2ccccc2)C(=O)C=CO1,CC1=C(OC(=O)c2ccccc2)C(=O)C=CO1,"InChI=1/C13H10O4/c1-9-12(11(14)7-8-16-9)17-13(15)10-5-3-2-4-6-10/h2-8H,1H3",C13H10O4,,,,,,GBNUKEJIAQPSJH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.893,231-781-8,7727-21-1,Dipotassium peroxodisulphate,dipotassium [(sulfonatoperoxy)sulfonyl]oxidanide,[K+].[K+].[O-]S(=O)(=O)OOS(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)OOS(=O)(=O)[O-],"InChI=1/2K.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",H2O8S2.2K,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14185,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.893,USHAGKDGDHPEEY-UHFFFAOYSA-L,,,,,,,,,,,
100.028.895,231-783-9,7727-37-9,Nitrogen,nitrogen,N#N,N#N,InChI=1/N2/c1-2,N2,,,,,,IJGRMHOSHXDMSA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.897,231-786-5,7727-54-0,Diammonium peroxodisulphate,diammonium [(sulfonatoperoxy)sulfonyl]oxidanide,[NH4+].[NH4+].[O-]S(=O)(=O)OOS(=O)(=O)[O-],[NH4+].[NH4+].[O-]S(=O)(=O)OOS(=O)(=O)[O-],"InChI=1/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)",H3N.1/2H2O8S2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14389,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.897,ROOXNKNUYICQNP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.898,231-787-0,7728-98-5,S-methylcysteine,S-methylcysteine,CSCC(N)C(=O)O,CSCC(N)C(=O)O,"InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2S,,,,,,IDIDJDIHTAOVLG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.900,231-789-1,7731-28-4,cis-4-methylcyclohexanol,4-methylcyclohexanol,C[C@@H]1CC[C@H](O)CC1,C[C@@H]1CC[C@H](O)CC1,"InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3",C7H14O,,,,,,MQWCXKGKQLNYQG-KNVOCYPGSA-N,,,,,,,,,,,
100.028.906,231-795-4,2/02/7737,"1,1'-oxybis[2-chloroethanol]","1,1'-oxybis(2-chloroethanol)",OC(CCl)OC(O)CCl,OC(CCl)OC(O)CCl,"InChI=1/C4H8Cl2O3/c5-1-3(7)9-4(8)2-6/h3-4,7-8H,1-2H2",C4H8Cl2O3,,,,,,ZSHRTYLLCDMOML-UHFFFAOYSA-N,,,,,,,,,,,
100.028.907,231-797-5,7737-16-8,N-(2-oxopropyl)acetamide,N-(2-oxopropyl)acetamide,CC(=O)CNC(=O)C,CC(=O)CNC(=O)C,"InChI=1/C5H9NO2/c1-4(7)3-6-5(2)8/h3H2,1-2H3,(H,6,8)",C5H9NO2,,,,,,SICIPBMLFSQZEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.806,215-186-0,1310-82-3,Rubidium hydroxide,rubidium hydroxide,[OH-].[Rb+],[OH-].[Rb+],InChI=1/H2O.Rb/h1H2;/q;+1/p-1,HORb,,,,,,CPRMKOQKXYSDML-UHFFFAOYSA-M,,,,,,,,,,,
100.013.810,215-190-2,1311-33-7,Thulium trihydroxide,thulium trihydroxide,[OH-].[OH-].[OH-].[Tm+3],[OH-].[OH-].[OH-].[Tm+3],InChI=1/3H2O.Tm/h3*1H2;/q;;;+3/p-3,H3O3Tm,,,,,,VZLHRXBDVXNVPC-UHFFFAOYSA-K,,,,,,,,,,,
100.013.851,215-235-6,1314-41-6,Orange lead,-,O1[Pb]O[Pb]2O[Pb]1O2,O1[Pb]O[Pb]2O[Pb]1O2,InChI=1/4O.3Pb/q;;;;2*+1;+2/rO4Pb3/c1-5-2-7-3-6(1)4-7/q+4,O4Pb3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15205,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.851,XMFOQHDPRMAJNU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.205,225-525-4,4899-97-2,N-(3-aminopropyl)hexadecan-1-amide,N-(3-aminopropyl)hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCCN,CCCCCCCCCCCCCCCC(=O)NCCCN,"InChI=1/C19H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20/h2-18,20H2,1H3,(H,21,22)",C19H40N2O,,,,,,IHRBDIQRJRJFES-UHFFFAOYSA-N,,,,,,,,,,,
100.023.209,225-530-1,5/03/4901,Narceine hydrochloride,"6-({6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoic acid hydrochloride",Cl.COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(=O)O)c1OC,Cl.COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(=O)O)c1OC,"InChI=1/C23H27NO8.ClH/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27;/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27);1H",C23H27NO8.ClH,,,,,,QDFXBTCNMNZVHX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.210,225-531-7,4901-51-3,"2,3,4,5-tetrachlorophenol","2,3,4,5-tetrachlorophenol",Oc1cc(Cl)c(Cl)c(Cl)c1Cl,Oc1cc(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H",C6H2Cl4O,,,,,,RULKYXXCCZZKDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.212,225-533-8,4904-61-4,"Cyclododeca-1,5,9-triene","cyclododeca-1,5,9-triene",C1C\\C=C\\CC\\C=C\\CC\\C=C/1,C1C\C=C\CC\C=C\CC\C=C/1,"InChI=1/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2",C12H18,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1732,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.212,ZOLLIQAKMYWTBR-RYMQXAEESA-N,,,,,,,,,,,
100.023.213,225-534-3,4904-83-0,"5,11-dihydro-5-methyl-10H-dibenz[b,f]azepin-10-one","5-methyl-5,11-dihydro-10H-dibenzo[b,f]azepin-10-one",CN1c2ccccc2CC(=O)c3ccccc13,CN1c2ccccc2CC(=O)c3ccccc13,"InChI=1/C15H13NO/c1-16-13-8-4-2-6-11(13)10-15(17)12-7-3-5-9-14(12)16/h2-9H,10H2,1H3",C15H13NO,,,,,,WYGCMGHBEUGWNS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.217,225-539-0,4913-13-7,"N,N-dimethyl-3,5-xylidine","N,N,3,5-tetramethylaniline",CN(C)c1cc(C)cc(C)c1,CN(C)c1cc(C)cc(C)c1,"InChI=1/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3",C10H15N,,,,,,NBFRQCOZERNGEX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.876,219-662-9,9/02/2493,4-bromophenyl isocyanate,1-bromo-4-isocyanatobenzene,Brc1ccc(cc1)N=C=O,Brc1ccc(cc1)N=C=O,InChI=1/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,C7H4BrNO,,,,,,CZQIJQFTRGDODI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.877,219-663-4,2493-31-4,"N,N-dimethyl-2,4,6-trinitroaniline","N,N-dimethyl-2,4,6-trinitroaniline",CN(C)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CN(C)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N4O6/c1-9(2)8-6(11(15)16)3-5(10(13)14)4-7(8)12(17)18/h3-4H,1-2H3",C8H8N4O6,,,,,,CHAGGWKJBGUBBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.879,219-666-0,2494-56-6,2-butyryloxyethyltrimethylammonium iodide,"2-(butyryloxy)-N,N,N-trimethylethanaminium iodide",[I-].CCCC(=O)OCC[N+](C)(C)C,[I-].CCCC(=O)OCC[N+](C)(C)C,"InChI=1/C9H20NO2.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1",C9H20NO2.I,,,,,,GALNBQVDMJRFGJ-UHFFFAOYSA-M,,,,,,,,,,,
100.017.881,219-668-1,2494-88-4,2-[(3-aminophenyl)sulphonyl] hydrogensulphate,2-[(3-aminophenyl)sulfonyl]ethyl hydrogen sulfate,Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C8H11NO6S2/c9-7-2-1-3-8(6-7)16(10,11)5-4-15-17(12,13)14/h1-3,6H,4-5,9H2,(H,12,13,14)",C8H11NO6S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12351,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.881,BCLOBWIFURSERL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.882,219-669-7,2494-89-5,2-[(p-aminophenyl)sulphonyl]ethyl hydrogensulphate,2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate,Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O,Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)",C8H11NO6S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11342,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.882,IALORYHODRVWKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.889,219-677-0,2495-84-3,6-(oleoyloxy)-L-ascorbic acid,"2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl octadec-9-enoate (non-preferred name)",CCCCCCCCC=CCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O,CCCCCCCCC=CCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O,"InChI=1/C24H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h9-10,19,23,25,27-28H,2-8,11-18H2,1H3",C24H40O7,,,,,,JPBAVLUULZJFFO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.895,219-683-3,2497-78-1,"Sodium 2-(3-amino-2,4,6-triiodobenzyl)butyrate","sodium 2-(3-amino-2,4,6-triiodobenzyl)butanoate",[Na+].CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)[O-],[Na+].CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)[O-],"InChI=1/C11H12I3NO2.Na/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14;/h4-5H,2-3,15H2,1H3,(H,16,17);/q;+1/p-1",C11H12I3NO2.Na,,,,,,LEXZDSSHLHPSQC-UHFFFAOYSA-M,,,,,,,,,,,
100.017.908,219-698-5,2499-95-8,Hexyl acrylate,hexyl acrylate,CCCCCCOC(=O)C=C,CCCCCCOC(=O)C=C,"InChI=1/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3",C9H16O2,,,,,,LNMQRPPRQDGUDR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.910,219-700-4,2500-83-6,"Tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl acetate",CC(=O)OC1CC2CC1C3C=CCC23,CC(=O)OC1CC2CC1C3C=CCC23,"InChI=1/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3",C12H16O2,,,,,,BJLRAKFWOUAROE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.911,219-702-5,2500-88-1,Dioctadecyl disulphide,"1,1'-disulfanediyldioctadecane",CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC,"InChI=1/C36H74S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C36H74S2,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7672,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.911,MQQKTNDBASEZSD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.913,219-704-6,2503-46-0,1-(4-hydroxy-3-methoxyphenyl)acetone,1-(4-hydroxy-3-methoxyphenyl)acetone,COc1cc(CC(=O)C)ccc1O,COc1cc(CC(=O)C)ccc1O,"InChI=1/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3",C10H12O3,,,,,,LFVCJQWZGDLHSD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.919,219-710-9,2504-64-5,Ethylenebis(trichlorosilane),"ethane-1,2-diylbis(trichlorosilane)",Cl[Si](Cl)(Cl)CC[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)CC[Si](Cl)(Cl)Cl,"InChI=1/C2H4Cl6Si2/c3-9(4,5)1-2-10(6,7)8/h1-2H2",C2H4Cl6Si2,,,,,,WDVUXWDZTPZIIE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.922,219-714-0,2507-55-3,2-hydroxytetradecanoic acid,2-hydroxytetradecanoic acid,CCCCCCCCCCCCC(O)C(=O)O,CCCCCCCCCCCCC(O)C(=O)O,"InChI=1/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)",C14H28O3,,,,,,JYZJYKOZGGEXSX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.923,219-715-6,2507-91-7,Gloxazone,2-(carbamothioylhydrazono)-3-ethoxybutanal thiosemicarbazone,CC(OCC)C(C=NNC(N)=S)=NNC(N)=S,CC(OCC)C(C=NNC(N)=S)=NNC(N)=S,"InChI=1/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-5H,3H2,1-2H3,(H3,9,13,16)(H3,10,14,17)",C8H16N6OS2,,,,,,ARIFZLJIERKKEL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.179,224-396-1,4/03/4342,Dacarbazine,"5-(3,3-dimethyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide",CN(C)N=Nc1ncnc1C(N)=O,CN(C)N=Nc1ncnc1C(N)=O,"InChI=1/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)",C6H10N6O,,,,,,FDKXTQMXEQVLRF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.188,224-405-9,4346-18-3,Phenyl butyrate,phenyl butyrate,CCCC(=O)Oc1ccccc1,CCCC(=O)Oc1ccccc1,"InChI=1/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",C10H12O2,,,,,,IGVPBCZDHMIOJH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.214,229-935-4,6848-13-1,"3-chloro-N,N-dimethylaniline","3-chloro-N,N-dimethylaniline",CN(C)c1cccc(Cl)c1,CN(C)c1cccc(Cl)c1,"InChI=1/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3",C8H10ClN,,,,,,CHHCCYVOJBBCIY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.219,229-941-7,6850-57-3,2-methoxybenzylamine,1-(2-methoxyphenyl)methanamine,COc1ccccc1CN,COc1ccccc1CN,"InChI=1/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3",C8H11NO,,,,,,PXJACNDVRNAFHD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.221,229-943-8,6850-65-3,4-aminocyclohexanol,4-aminocyclohexanol,NC1CCC(O)CC1,NC1CCC(O)CC1,"InChI=1/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2",C6H13NO,,,,,,IMLXLGZJLAOKJN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.222,229-944-3,6851-44-1,"2,4,5-trichlorophenetole","1,2,4-trichloro-5-ethoxybenzene",CCOc1cc(Cl)c(Cl)cc1Cl,CCOc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H7Cl3O/c1-2-12-8-4-6(10)5(9)3-7(8)11/h3-4H,2H2,1H3",C8H7Cl3O,,,,,,XMLUZDBYNTZUSI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.223,229-945-9,6851-81-6,"1,5,5-trimethylimidazolidine-2,4-dione","1,5,5-trimethylimidazolidine-2,4-dione",CN1C(=O)NC(=O)C1(C)C,CN1C(=O)NC(=O)C1(C)C,"InChI=1/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)",C6H10N2O2,,,,,,ZNYIPTYJBRGSSL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.227,229-950-6,6854-81-5,"Tetrasodium 2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]",tetrasodium 2-({2-methyl-4-[(2-methyl-4-{[(3-methyl-4-{[3-methyl-4-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}phenyl)carbamoyl]amino}phenyl)diazenyl]phenyl}diazenyl)-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc2ccc(cc2C)N=Nc3ccc(cc3C)NC(=O)Nc7ccc(N=Nc6ccc(N=Nc5ccc(N=Nc4ccc(cc4)S([O-])(=O)=O)cc5S([O-])(=O)=O)c(C)c6)c(C)c7)c(c8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc2ccc(cc2C)N=Nc3ccc(cc3C)NC(=O)Nc7ccc(N=Nc6ccc(N=Nc5ccc(N=Nc4ccc(cc4)S([O-])(=O)=O)cc5S([O-])(=O)=O)c(C)c6)c(C)c7)c(c8)S([O-])(=O)=O,"InChI=1/C53H44N14O13S4.4Na/c1-31-25-37(9-19-45(31)62-60-39-11-21-47(33(3)27-39)64-66-49-23-13-41(29-51(49)83(75,76)77)58-56-35-5-15-43(16-6-35)81(69,70)71)54-53(68)55-38-10-20-46(32(2)26-38)63-61-40-12-22-48(34(4)28-40)65-67-50-24-14-42(30-52(50)84(78,79)80)59-57-36-7-17-44(18-8-36)82(72,73)74;;;;/h5-30H,1-4H3,(H2,54,55,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;/q;4*+1/p-4",C53H44N14O13S4.4Na,,,,,,YDPZXLFCTSIAHS-UHFFFAOYSA-J,,,,,,,,,,,
100.027.230,229-953-2,6856-31-1,"1-(3-hydroxy-1,1-diphenylpropyl)piperidinium methanesulphonate","1-(3-hydroxy-1,1-diphenylpropyl)piperidinium methanesulfonate",CS(=O)(=O)[O-].OCCC([NH+]1CCCCC1)(c2ccccc2)c3ccccc3,CS(=O)(=O)[O-].OCCC([NH+]1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C20H25NO.CH4O3S/c22-17-14-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21-15-8-3-9-16-21;1-5(2,3)4/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H3,(H,2,3,4)",C20H25NO.CH4O3S,,,,,,QZRXLSWXZVHIEL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.233,229-956-9,7/12/6859,"Tetrasodium 5-[[4-[[[4-[[4-[[8-(acetylamino)-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3-ethoxy-7-sulphonato-1-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate","tetrasodium 5-[(4-{[4-({4-[(8-acetamido-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-3-ethoxy-7-sulfonato-1-naphthyl}diazenyl)phenyl]carbamoyl}phenyl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=Nc6cc(OCC)c(N=Nc5c(cc4cc(cc(NC(C)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(cc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=Nc6cc(OCC)c(N=Nc5c(cc4cc(cc(NC(C)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(cc67)S([O-])(=O)=O,"InChI=1/C44H34N8O16S3.4Na/c1-3-68-37-21-34(50-48-27-10-8-25(9-11-27)46-43(56)23-4-6-26(7-5-23)47-49-28-12-15-36(54)33(18-28)44(57)58)32-19-29(69(59,60)61)13-14-31(32)40(37)51-52-41-38(71(65,66)67)17-24-16-30(70(62,63)64)20-35(45-22(2)53)39(24)42(41)55;;;;/h4-21,54-55H,3H2,1-2H3,(H,45,53)(H,46,56)(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4",C44H34N8O16S3.4Na,,,,,,RSUUBRPTBPEKGS-UHFFFAOYSA-J,,,,,,,,,,,
100.013.763,215-138-9,1305-78-8,Calcium oxide,oxocalcium,O=[Ca],O=[Ca],InChI=1/Ca.O/rCaO/c1-2,CaO,Full,Individual,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6948,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.763,ODINCKMPIJJUCX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.773,215-149-9,1306-25-8,Cadmium telluride,telluroxocadmium,[Cd]=[Te],[Cd]=[Te],InChI=1/Cd.Te/rCdTe/c1-2,CdTe,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12227,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.773,RPPBZEBXAAZZJH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.775,215-152-5,1307-81-9,Disodium hexachloroosmate,disodium hexachloroosmate(2-),[Na+].[Na+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,[Na+].[Na+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2Na.Os/h6*1H;;;/q;;;;;;2*+1;+6/p-6/rCl6Os.2Na/c1-7(2,3,4,5)6;;/q;2*+1",Cl6Os.2Na,,,,,,PVTVRPSPEDISMV-UHFFFAOYSA-H,,,,,,,,,,,
100.013.795,215-174-5,1309-60-0,Lead dioxide,dioxoplumbane,O=[Pb]=O,O=[Pb]=O,InChI=1/2O.Pb/rO2Pb/c1-3-2,O2Pb,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7459,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.795,YADSGOSSYOOKMP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.796,215-175-0,1309-64-4,Diantimony trioxide,dioxodistiboxane,O=[Sb]O[Sb]=O,O=[Sb]O[Sb]=O,InChI=1/3O.2Sb/rO3Sb2/c1-4-3-5-2,O3Sb2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10432,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.796,ADCOVFLJGNWWNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.605,228-165-6,6152-67-6,Sodium N-phenylsulphanilate,sodium 4-anilinobenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1,[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1,"InChI=1/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1",C12H11NO3S.Na,,,,,,DGXTZMPQSMIFEC-UHFFFAOYSA-M,,,,,,,,,,,
100.025.607,228-167-7,6152-82-5,(R)-1-(2-piperidyl)acetone hydrochloride,1-piperidin-2-ylacetone hydrochloride,Cl.CC(=O)C[C@H]1CCCCN1,Cl.CC(=O)C[C@H]1CCCCN1,"InChI=1/C8H15NO.ClH/c1-7(10)6-8-4-2-3-5-9-8;/h8-9H,2-6H2,1H3;1H",C8H15NO.ClH,,,,,,FMOKUKPRJSMPOI-DDWIOCJRSA-N,,,,,,,,,,,
100.025.608,228-168-2,5/05/6153,(Z)-3-methylpent-2-en-4-yn-1-ol,3-methylpent-2-en-4-yn-1-ol,C\\C(=C\\CO)\\C#C,C\C(=C\CO)\C#C,"InChI=1/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3",C6H8O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10321,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.608,ZSJHASYJQIRSLE-XQRVVYSFSA-N,,,,,,,,,,,
100.025.613,228-174-5,6153-92-0,"4,4'-diphenyl-2,2'-bipyridine","4,4'-diphenyl-2,2'-bipyridine",c1ccc(cc1)c2ccnc(c2)c3cc(ccn3)c4ccccc4,c1ccc(cc1)c2ccnc(c2)c3cc(ccn3)c4ccccc4,InChI=1/C22H16N2/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18/h1-16H,C22H16N2,,,,,,OXMSMRJQZMTIMT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.616,228-177-1,6158-45-8,1-isopropylnaphthalene,1-isopropylnaphthalene,CC(C)c1cccc2ccccc12,CC(C)c1cccc2ccccc12,"InChI=1/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3",C13H14,,,,,,PMPBFICDXLLSRM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.618,228-179-2,6159-33-7,L-tryptophan monohydrochloride,L-tryptophan hydrochloride,Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C11H12N2O2.ClH/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;/h1-4,6,9,13H,5,12H2,(H,14,15);1H",C11H12N2O2.ClH,,,,,,GTVXHTBGOYJORD-FVGYRXGTSA-N,,,,,,,,,,,
100.025.622,228-183-4,6160-65-2,"1,1'-thiocarbonylbis(imidazole)","1,1'-carbonothioylbis(1H-imidazole)",S=C(n1ccnc1)n2ccnc2,S=C(n1ccnc1)n2ccnc2,InChI=1/C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H,C7H6N4S,,,,,,RAFNCPHFRHZCPS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.623,228-185-5,6160-78-7,7-(ß-D-galactopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl beta-D-galactopyranoside,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12,"InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3",C16H18O8,,,,,,YUDPTGPSBJVHCN-DZQJYWQESA-N,,,,,,,,,,,
100.027.256,229-982-0,6877-39-0,"3-[(2,6-dideoxy-3ß-O-methyl-lyxo-hexopyranosyl)oxy]-12a,20-epoxy-2ß-hydroxy-14ß,17a-pregn-5-ene-11,15-dione","2-hydroxy-11,15-dioxo-12,20-epoxypregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranoside",CO[C@@H]1CC(OC2CC3=CC[C@@H]4[C@H](C(=O)[C@@H]5OC(C)[C@H]6CC(=O)[C@H]4[C@]56C)[C@@]3(C)C[C@@H]2O)O[C@H](C)[C@@H]1O,CO[C@@H]1CC(OC2CC3=CC[C@@H]4[C@H](C(=O)[C@@H]5OC(C)[C@H]6CC(=O)[C@H]4[C@]56C)[C@@]3(C)C[C@@H]2O)O[C@H](C)[C@@H]1O,"InChI=1/C28H40O8/c1-12-16-9-17(29)22-15-7-6-14-8-19(36-21-10-20(33-5)24(31)13(2)34-21)18(30)11-27(14,3)23(15)25(32)26(35-12)28(16,22)4/h6,12-13,15-16,18-24,26,30-31H,7-11H2,1-5H3",C28H40O8,,,,,,QEFALKLEMZRSQY-GSKCQXMJSA-N,,,,,,,,,,,
100.027.257,229-983-6,6877-73-2,(25R)-6-methylspirost-5-en-3ß-ol acetate,6-methylspirost-5-en-3-yl acetate,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC(=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OC(=O)C)C,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC(=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OC(=O)C)C,"InChI=1/C30H46O4/c1-17-7-12-30(32-16-17)19(3)27-26(34-30)15-25-22-13-18(2)24-14-21(33-20(4)31)8-10-28(24,5)23(22)9-11-29(25,27)6/h17,19,21-23,25-27H,7-16H2,1-6H3",C30H46O4,,,,,,OGEFDNIZNJRWMH-AUBPAKAUSA-N,,,,,,,,,,,
100.027.258,229-984-1,6881-54-5,Acetylphosphonic acid,acetylphosphonic acid,CC(=O)P(=O)(O)O,CC(=O)P(=O)(O)O,"InChI=1/C2H5O4P/c1-2(3)7(4,5)6/h1H3,(H2,4,5,6)",C2H5O4P,,,,,,TYVWLCJTWHVKRD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.260,229-986-2,6883-91-6,"4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(p-tolyl)-3H-pyrazol-3-one]","4,4'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]",Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2OC)c5ccc(N=NC4C(\\C)=N/N(c3ccc(C)cc3)C4=O)c(OC)c5)C6=O,Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2OC)c5ccc(N=NC4C(\C)=N/N(c3ccc(C)cc3)C4=O)c(OC)c5)C6=O,"InChI=1/C36H34N8O4/c1-21-7-13-27(14-8-21)43-35(45)33(23(3)41-43)39-37-29-17-11-25(19-31(29)47-5)26-12-18-30(32(20-26)48-6)38-40-34-24(4)42-44(36(34)46)28-15-9-22(2)10-16-28/h7-20,33-34H,1-6H3",C36H34N8O4,,,,,,CMBVJWXIWKNGIL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.120,215-531-5,1329-97-1,Methoxyxylenol,"4-methoxy-2,6-dimethylphenol",COc1cc(C)c(O)c(C)c1,COc1cc(C)c(O)c(C)c1,"InChI=1/C9H12O2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3",C9H12O2,,,,,,UCHRDYUBDZOFBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.123,215-534-1,1330-19-4,Isoheptanoic acid,5-methylhexanoic acid,CC(C)CCCC(=O)O,CC(C)CCCC(=O)O,"InChI=1/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",C7H14O2,,,,,,MHPUGCYGQWGLJL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.129,215-540-4,"1303-96-4, 1330-43-4, 12179-04-3","Disodium tetraborate, anhydrous",-,[Na+].[Na+].[O-]B(OB=O)OB([O-])OB=O,[Na+].[Na+].[O-]B(OB=O)OB([O-])OB=O,InChI=1/B4O7.2Na/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1,B4Na2O7,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15357,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.129,RPAYJVFLNVKVRS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.220,225-542-7,4914-30-1,Dehydroemetine,"6',7',10,11-tetramethoxy-2,3-didehydroemetan",CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1,CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1,"InChI=1/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3",C29H38N2O4,,,,,,XXLZPUYGHQWHRN-RPBOFIJWSA-N,,,,,,,,,,,
100.023.224,225-546-9,4920-77-8,2-nitro-m-cresol,3-methyl-2-nitrophenol,Cc1cccc(O)c1[N+](=O)[O-],Cc1cccc(O)c1[N+](=O)[O-],"InChI=1/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3",C7H7NO3,,,,,,QIORDSKCCHRSSD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.227,225-550-0,4920-81-4,3-hydroxyanthranilic acid hydrochloride,2-amino-3-hydroxybenzoic acid hydrochloride,Cl.Nc1c(O)cccc1C(=O)O,Cl.Nc1c(O)cccc1C(=O)O,"InChI=1/C7H7NO3.ClH/c8-6-4(7(10)11)2-1-3-5(6)9;/h1-3,9H,8H2,(H,10,11);1H",C7H7NO3.ClH,,,,,,WORPVBBWRKRSHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.229,225-552-1,4921-49-7,"8-chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione","8-chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2nc(Cl)n(C)c2C1=O,CN1C(=O)N(C)c2nc(Cl)n(C)c2C1=O,InChI=1/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3,C8H9ClN4O2,,,,,,HGKPGBJNNATDRR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.238,225-562-6,4927-39-3,4-cyclohexyl-4-methylpentan-2-one,4-cyclohexyl-4-methylpentan-2-one,CC(=O)CC(C)(C)C1CCCCC1,CC(=O)CC(C)(C)C1CCCCC1,"InChI=1/C12H22O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3",C12H22O,,,,,,OAFJAALOFJVHMK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.239,225-563-1,4927-40-6,"a,<U+03B3>,<U+03B3>,4-tetramethylcyclohexanepropanol",4-methyl-4-(4-methylcyclohexyl)pentan-2-ol,CC(O)CC(C)(C)C1CCC(C)CC1,CC(O)CC(C)(C)C1CCC(C)CC1,"InChI=1/C13H26O/c1-10-5-7-12(8-6-10)13(3,4)9-11(2)14/h10-12,14H,5-9H2,1-4H3",C13H26O,,,,,,LHABIGFBCKFBML-UHFFFAOYSA-N,,,,,,,,,,,
100.023.242,225-566-8,4930-98-7,2-hydrazinopyridine,2-hydrazinopyridine,NNc1ccccn1,NNc1ccccn1,"InChI=1/C5H7N3/c6-8-5-3-1-2-4-7-5/h1-4H,6H2,(H,7,8)",C5H7N3,,,,,,NWELCUKYUCBVKK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.243,225-567-3,4931-66-2,Methyl 5-oxo-L-prolinate,methyl 5-oxo-L-prolinate,COC(=O)[C@@H]1CCC(=O)N1,COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)",C6H9NO3,,,,,,HQGPKMSGXAUKHT-BYPYZUCNSA-N,,,,,,,,,,,
100.023.246,225-571-5,4931-72-0,Octadecyl 5-oxo-L-prolinate,octadecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23(26)21-18-19-22(25)24-21/h21H,2-20H2,1H3,(H,24,25)",C23H43NO3,,,,,,SJRXYWPYOIFJED-NRFANRHFSA-N,,,,,,,,,,,
100.023.247,225-572-0,4934-23-0,"(2,2-dimethyl-1,3-dioxolan-4-yl)methyl anthranilate","(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-aminobenzoate",CC1(C)OCC(COC(=O)c2ccccc2N)O1,CC1(C)OCC(COC(=O)c2ccccc2N)O1,"InChI=1/C13H17NO4/c1-13(2)17-8-9(18-13)7-16-12(15)10-5-3-4-6-11(10)14/h3-6,9H,7-8,14H2,1-2H3",C13H17NO4,,,,,,CPBQBOCHNODNFX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.248,225-573-6,4935-68-6,Dodecaethoxypentasiloxane,triethyl nonaethoxytetrasiloxanyl orthosilicate (non-preferred name),CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,"InChI=1/C24H60O16Si5/c1-13-25-41(26-14-2,27-15-3)37-43(31-19-7,32-20-8)39-45(35-23-11,36-24-12)40-44(33-21-9,34-22-10)38-42(28-16-4,29-17-5)30-18-6/h13-24H2,1-12H3",C24H60O16Si5,,,,,,XGNHNODGNBXORF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.375,225-712-0,5025-53-6,"5-bromo-6-methyl-1,3-benzodioxole","5-bromo-6-methyl-1,3-benzodioxole",Cc1cc2OCOc2cc1Br,Cc1cc2OCOc2cc1Br,"InChI=1/C8H7BrO2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-3H,4H2,1H3",C8H7BrO2,,,,,,COXSGYIDZGDCAR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.378,225-715-7,5026-65-3,"Hexadecyl 3,4,5-trihydroxybenzoate","hexadecyl 3,4,5-trihydroxybenzoate",CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C23H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-23(27)19-17-20(24)22(26)21(25)18-19/h17-18,24-26H,2-16H2,1H3",C23H38O5,,,,,,TYCUSKFOGZNIBO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.379,225-716-2,5026-74-4,"p-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline","4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline",C(Oc1ccc(cc1)N(CC2CO2)CC3CO3)C4CO4,C(Oc1ccc(cc1)N(CC2CO2)CC3CO3)C4CO4,"InChI=1/C15H19NO4/c1-3-12(17-9-15-10-20-15)4-2-11(1)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2",C15H19NO4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15884,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.379,AHIPJALLQVEEQF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.034,214-336-2,1121-76-2,4-chloropyridine N-oxide,4-chloropyridine 1-oxide,[O-][n+]1ccc(Cl)cc1,[O-][n+]1ccc(Cl)cc1,InChI=1/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H,C5H4ClNO,,,,,,DPJVRASYWYOFSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.036,214-338-3,1121-84-2,Tetrahydro-4-methyl-2H-pyran-2-one,4-methyltetrahydro-2H-pyran-2-one,CC1CCOC(=O)C1,CC1CCOC(=O)C1,"InChI=1/C6H10O2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3",C6H10O2,,,,,,YHTLGFCVBKENTE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.040,214-343-0,1122-17-4,Dichloromaleic anhydride,"3,4-dichlorofuran-2,5-dione",ClC1=C(Cl)C(=O)OC1=O,ClC1=C(Cl)C(=O)OC1=O,InChI=1/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7,C4Cl2O3,,,,,,AGULWIQIYWWFBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.196,224-414-8,4351-48-8,"9-fluoro-11ß,17-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-propionate","9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate",CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)C,CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)C,"InChI=1/C25H33FO5/c1-6-21(30)31-25(15(3)27)14(2)11-19-18-8-7-16-12-17(28)9-10-22(16,4)24(18,26)20(29)13-23(19,25)5/h9-10,12,14,18-20,29H,6-8,11,13H2,1-5H3",C25H33FO5,,,,,,ZAQGQQMIBBCIRM-RDEWRQEPSA-N,,,,,,,,,,,
100.022.197,224-415-3,4351-54-6,Cyclohexyl formate,cyclohexyl formate,O=COC1CCCCC1,O=COC1CCCCC1,"InChI=1/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2",C7H12O2,,,,,,VUXKVKAHWOVIDN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.203,224-422-1,4/06/4353,"2-nonyl-1,3-dioxolane","2-nonyl-1,3-dioxolane",CCCCCCCCCC1OCCO1,CCCCCCCCCC1OCCO1,"InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h12H,2-11H2,1H3",C12H24O2,,,,,,QPILHXCDZYWYLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.205,224-424-2,4353-29-1,"3,6,9,12,15-pentaoxaheptadecan-1-ol","3,6,9,12,15-pentaoxaheptadecan-1-ol",CCOCCOCCOCCOCCOCCO,CCOCCOCCOCCOCCOCCO,"InChI=1/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3",C12H26O6,,,,,,NJRFAMBTWHGSDE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.206,224-425-8,4353-77-9,Trimethylsilyl chlorosulphate,trimethylsilyl chlorosulfate,C[Si](C)(C)OS(=O)(=O)Cl,C[Si](C)(C)OS(=O)(=O)Cl,"InChI=1/C3H9ClO3SSi/c1-9(2,3)7-8(4,5)6/h1-3H3",C3H9ClO3SSi,,,,,,QWQONZVLXJGXHV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.207,224-426-3,4354-49-8,a-oxocyclohexaneacetic acid,cyclohexyl(oxo)acetic acid,OC(=O)C(=O)C1CCCCC1,OC(=O)C(=O)C1CCCCC1,"InChI=1/C8H12O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,11)",C8H12O3,,,,,,IMCSZGFLUYCDOG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.208,224-427-9,7/11/4355,Cyclohexanediacetic acid,"2,2'-cyclohexane-1,1-diyldiacetic acid",OC(=O)CC1(CC(=O)O)CCCCC1,OC(=O)CC1(CC(=O)O)CCCCC1,"InChI=1/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)",C10H16O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11617,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.208,YQPCHPBGAALCRT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.211,224-431-0,4356-60-9,"4,5-dimethoxy-1,3-bis(methoxymethyl)imidazolidin-2-one","4,5-dimethoxy-1,3-bis(methoxymethyl)imidazolidin-2-one",COCN1C(OC)C(OC)N(COC)C1=O,COCN1C(OC)C(OC)N(COC)C1=O,"InChI=1/C9H18N2O5/c1-13-5-10-7(15-3)8(16-4)11(6-14-2)9(10)12/h7-8H,5-6H2,1-4H3",C9H18N2O5,,,,,,ZSSJQYMNCUJSBR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.213,224-433-1,4358-64-9,"cis-tetrahydrofuran-3,4-diol","tetrahydrofuran-3,4-diol",O[C@@H]1COC[C@@H]1O,O[C@@H]1COC[C@@H]1O,"InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2",C4H8O3,,,,,,SSYDTHANSGMJTP-ZXZARUISSA-N,,,,,,,,,,,
100.022.218,224-438-9,4359-57-3,"2-heptyl-1,3-dioxolane","2-heptyl-1,3-dioxolane",CCCCCCCC1OCCO1,CCCCCCCC1OCCO1,"InChI=1/C10H20O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h10H,2-9H2,1H3",C10H20O2,,,,,,LWJBQKKNODYJEI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.219,224-439-4,7/12/4360,Ajmaline,"ajmalan-17,21-diol",CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]46C[C@@H](C2[C@H]6O)N3[C@@H]1O,CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]46C[C@@H](C2[C@H]6O)N3[C@@H]1O,"InChI=1/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3",C20H26N2O2,,,,,,CJDRUOGAGYHKKD-SXKXKDIKSA-N,,,,,,,,,,,
100.022.222,224-443-6,4360-63-8,"2-bromomethyl-1,3-dioxolane","2-(bromomethyl)-1,3-dioxolane",BrCC1OCCO1,BrCC1OCCO1,"InChI=1/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2",C4H7BrO2,,,,,,CKIIJIDEWWXQEA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.224,224-445-7,4361-23-3,"a,2,2,6-tetramethylcyclohexanepropanol","4-(2,2,6-trimethylcyclohexyl)butan-2-ol",CC(O)CCC1C(C)CCCC1(C)C,CC(O)CCC1C(C)CCCC1(C)C,"InChI=1/C13H26O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10-12,14H,5-9H2,1-4H3",C13H26O,,,,,,UZWOWEPOVKVMEL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.015,216-516-6,1605-53-4,Diethylphenylphosphine,diethyl(phenyl)phosphine,CCP(CC)c1ccccc1,CCP(CC)c1ccccc1,"InChI=1/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C10H15P,,,,,,LVTCZSBUROAWTE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.027,216-529-7,1607-17-6,Pentrinitrol,"3-hydroxy-2,2-bis[(nitrooxy)methyl]propyl nitrate (non-preferred name)",OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],"InChI=1/C5H9N3O10/c9-1-5(2-16-6(10)11,3-17-7(12)13)4-18-8(14)15/h9H,1-4H2",C5H9N3O10,,,,,,BRBAEHHXGZRCBK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.032,216-534-4,1608-26-0,Tris(dimethylamino)phosphine,"N,N,N',N',N'',N''-hexamethylphosphorous triamide",CN(C)P(N(C)C)N(C)C,CN(C)P(N(C)C)N(C)C,InChI=1/C6H18N3P/c1-7(2)10(8(3)4)9(5)6/h1-6H3,C6H18N3P,,,,,,XVDBWWRIXBMVJV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.035,216-538-6,1608-82-8,3-methoxy-2-(methoxymethyl)acrylonitrile,3-methoxy-2-(methoxymethyl)acrylonitrile,COC\\C(=C/OC)\\C#N,COC\C(=C/OC)\C#N,"InChI=1/C6H9NO2/c1-8-4-6(3-7)5-9-2/h4H,5H2,1-2H3",C6H9NO2,,,,,,QZFRWRSOUHEOFM-XQRVVYSFSA-N,,,,,,,,,,,
100.023.159,225-475-3,4868-20-6,(Z)-2-(3-hexenyl)-5-methylfuran,2-hex-3-en-1-yl-5-methylfuran,CC\\C=C/CCc1oc(C)cc1,CC\C=C/CCc1oc(C)cc1,"InChI=1/C11H16O/c1-3-4-5-6-7-11-9-8-10(2)12-11/h4-5,8-9H,3,6-7H2,1-2H3",C11H16O,,,,,,YCLNYBGZRIUBQT-PLNGDYQASA-N,,,,,,,,,,,
100.023.166,225-483-7,9/10/4875,o-nitrobenzenethiol,2-nitrobenzenethiol,[O-][N+](=O)c1ccccc1S,[O-][N+](=O)c1ccccc1S,"InChI=1/C6H5NO2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H",C6H5NO2S,,,,,,JKIFPWHZEZQCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.169,225-486-3,4876-59-9,4-(dimethylammonio)piperidinium dichloride,4-(dimethylammonio)piperidinium dichloride,[Cl-].[Cl-].C[NH+](C)C1CC[NH2+]CC1,[Cl-].[Cl-].C[NH+](C)C1CC[NH2+]CC1,"InChI=1/C7H16N2.2ClH/c1-9(2)7-3-5-8-6-4-7;;/h7-8H,3-6H2,1-2H3;2*1H",C7H16N2.2ClH,,,,,,XCJNSBCFLUPJAP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.171,225-488-4,4877-84-3,"Methyl 2,4-dichloro-3-oxobutyrate","methyl 2,4-dichloro-3-oxobutanoate",COC(=O)C(Cl)C(=O)CCl,COC(=O)C(Cl)C(=O)CCl,"InChI=1/C5H6Cl2O3/c1-10-5(9)4(7)3(8)2-6/h4H,2H2,1H3",C5H6Cl2O3,,,,,,UTBKSYHAYRTIIN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.175,225-493-1,4882-79-5,"5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]azo]-2-[2-(4-nitro-2-sulphophenyl)vinyl]benzenesulphonic acid","5-[(4-{[(4,6-dichloro-1,3,5-triazin-2-yl)methyl]amino}phenyl)diazenyl]-2-[2-(4-nitro-2-sulfophenyl)vinyl]benzenesulfonic acid",Clc4nc(CNc3ccc(N=Nc2ccc(/C=C/c1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)c(c2)S(O)(=O)=O)cc3)nc(Cl)n4,Clc4nc(CNc3ccc(N=Nc2ccc(/C=C/c1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)c(c2)S(O)(=O)=O)cc3)nc(Cl)n4,"InChI=1/C24H17Cl2N7O8S2/c25-23-28-22(29-24(26)30-23)13-27-16-6-8-17(9-7-16)31-32-18-5-3-14(20(11-18)42(36,37)38)1-2-15-4-10-19(33(34)35)12-21(15)43(39,40)41/h1-12,27H,13H2,(H,36,37,38)(H,39,40,41)",C24H17Cl2N7O8S2,,,,,,MUBJAVMBRZLRST-WMVRFGQPSA-N,,,,,,,,,,,
100.023.178,225-496-8,4884-25-7,"[1,1'-bicyclopentyl]-2-ol","1,1'-bi(cyclopentyl)-2-ol",OC1CCCC1C2CCCC2,OC1CCCC1C2CCCC2,"InChI=1/C10H18O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-11H,1-7H2",C10H18O,,,,,,QMWSCHMOUMCING-UHFFFAOYSA-N,,,,,,,,,,,
100.023.183,225-501-3,4887-51-8,"1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid","6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoic acid",OC(=O)CCCCCN1C(=O)C2CC=CCC2C1=O,OC(=O)CCCCCN1C(=O)C2CC=CCC2C1=O,"InChI=1/C14H19NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h3-4,10-11H,1-2,5-9H2,(H,16,17)",C14H19NO4,,,,,,IACNEMHLZLHRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.188,225-507-6,4888-90-8,"[2S-(2a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide","3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide",CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)O,CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)O,"InChI=1/C16H18N2O6S/c1-16(2)12(15(21)22)18-13(20)11(14(18)25(16)23)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C16H18N2O6S,,,,,,DNPOVSLJNLLGMA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.189,225-508-1,4889-40-1,"5-oxoproline, compound with piperazine (1:1)",5-oxoproline - piperazine (1:1),OC(=O)C1CCC(=O)N1.C2CNCCN2,OC(=O)C1CCC(=O)N1.C2CNCCN2,"InChI=1/C5H7NO3.C4H10N2/c7-4-2-1-3(6-4)5(8)9;1-2-6-4-3-5-1/h3H,1-2H2,(H,6,7)(H,8,9);5-6H,1-4H2",C5H7NO3.C4H10N2,,,,,,UGJLDBAVVGLTBT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.192,225-511-8,4890-85-1,o-phenethylbenzoic acid,2-(2-phenylethyl)benzoic acid,OC(=O)c1ccccc1CCc2ccccc2,OC(=O)c1ccccc1CCc2ccccc2,"InChI=1/C15H14O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)",C15H14O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8313,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.192,IOHPVZBSOKLVMN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.198,225-518-6,4896-77-9,(2H5)glycine,glycine,NCC(=O)O,NCC(=O)O,"InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",C2D5NO2,,,,,,DHMQDGOQFOQNFH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.200,225-520-7,4897-22-7,5-chloro-1-ethyl-2-methyl-1H-imidazole,5-chloro-1-ethyl-2-methyl-1H-imidazole,CCn1c(C)ncc1Cl,CCn1c(C)ncc1Cl,"InChI=1/C6H9ClN2/c1-3-9-5(2)8-4-6(9)7/h4H,3H2,1-2H3",C6H9ClN2,,,,,,RHQYMLWGPGEEOU-UHFFFAOYSA-N,,,,,,,,,,,
100.012.977,214-274-6,1119-33-1,Ethyl hydrogen L-glutamate,2-amino-5-ethoxy-5-oxopentanoic acid (non-preferred name),O=C(CC[C@H](N)C(O)=O)OCC,O=C(CC[C@H](N)C(O)=O)OCC,"InChI=1/C7H13NO4/c1-2-12-6(9)4-3-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)",C7H13NO4,,,,,,XMQUEQJCYRFIQS-YFKPBYRVSA-N,,,,,,,,,,,
100.012.978,214-275-1,1119-34-2,(+)-L-arginine hydrochloride,L-arginine hydrochloride,Cl.N[C@@H](CCCNC(=N)N)C(=O)O,Cl.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H",C6H14N4O2.ClH,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11919,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.978,KWTQSFXGGICVPE-WCCKRBBISA-N,,,,,,,,,,,
100.012.980,214-277-2,1119-40-0,Dimethyl glutarate,dimethyl glutarate,COC(=O)CCCC(=O)OC,COC(=O)CCCC(=O)OC,"InChI=1/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3",C7H12O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5377,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.980,XTDYIOOONNVFMA-UHFFFAOYSA-N,,,,,,,,,,,
100.012.982,214-279-3,1119-46-6,5-chlorovaleric acid,5-chloropentanoic acid,OC(=O)CCCCCl,OC(=O)CCCCCl,"InChI=1/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)",C5H9ClO2,,,,,,YSXDKDWNIPOSMF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.132,215-544-6,1330-69-4,Dodecylbenzenesulphonate,2-dodecylbenzenesulfonate,CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/p-1",C18H29O3S,,,,,,WBIQQQGBSDOWNP-UHFFFAOYSA-M,,,,,,,,,,,
100.014.133,215-545-1,1330-70-7,Hydroxyoctadecanoic acid,2-hydroxyoctadecanoic acid,CCCCCCCCCCCCCCCCC(O)C(=O)O,CCCCCCCCCCCCCCCCC(O)C(=O)O,"InChI=1/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",C18H36O3,,,,,,KIHBGTRZFAVZRV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.135,215-547-2,1330-76-3,Diisooctyl maleate,bis(6-methylheptyl) but-2-enedioate,CC(C)CCCCCOC(=O)C=CC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)C=CC(=O)OCCCCCC(C)C,"InChI=1/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3",C20H36O4,,,,,,QIGLLCHDIZAZFE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.137,215-549-3,1330-80-9,"Oleic acid, monoester with propane-1,2-diol",2-hydroxypropyl octadec-9-enoate,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)O,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)O,"InChI=1/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3",C21H40O3,,,,,,ZVTDEEBSWIQAFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.142,215-555-6,1331-12-0,"Propane-1,2-diol, monoacetate",2-hydroxypropyl acetate,CC(O)COC(=O)C,CC(O)COC(=O)C,"InChI=1/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3",C5H10O3,,,,,,PPPFYBPQAPISCT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.143,215-556-1,1331-22-2,Methylcyclohexanone,2-methylcyclohexanone,CC1CCCCC1=O,CC1CCCCC1=O,"InChI=1/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3",C7H12O,,,,,,LFSAPCRASZRSKS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.144,215-557-7,1331-28-8,Chlorovinylbenzene,(1-chlorovinyl)benzene,ClC(=C)c1ccccc1,ClC(=C)c1ccccc1,"InChI=1/C8H7Cl/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2",C8H7Cl,,,,,,XHAFIUUYXQFJEW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.149,215-562-4,1331-83-5,Anisyl acetate,4-methoxyphenyl acetate,COc1ccc(OC(=O)C)cc1,COc1ccc(OC(=O)C)cc1,"InChI=1/C9H10O3/c1-7(10)12-9-5-3-8(11-2)4-6-9/h3-6H,1-2H3",C10H12O3,,,,,,YAPCNXGBNRDBIW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.150,215-564-5,1331-87-9,"Calcium (1S)-[7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonate","calcium bis[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate]",[Ca+2].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CC3(C)C4CCC3(CS(=O)(=O)[O-])C(=O)C4,[Ca+2].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CC3(C)C4CCC3(CS(=O)(=O)[O-])C(=O)C4,"InChI=1/2C10H16O4S.Ca/c2*1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h2*7H,3-6H2,1-2H3,(H,12,13,14);/q;;+2/p-2",C10H16O4S.1/2Ca,,,,,,LWHOBNQPGHHZQX-UHFFFAOYSA-L,,,,,,,,,,,
100.014.151,215-565-0,1331-92-6,"Cinnamaldehyde, monopentyl derivative",3-(2-pentylphenyl)acrylaldehyde,CCCCCc1ccccc1\\C=C\\C=O,CCCCCc1ccccc1\C=C\C=O,"InChI=1/C14H18O/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h5-7,9-12H,2-4,8H2,1H3",C14H18O,,,,,,NJOZATCIDWVFLW-YRNVUSSQSA-N,,,,,,,,,,,
100.014.159,215-573-4,1332-73-6,Aluminium hydroxide sulphate,aluminum hydroxide sulfate,[OH-].[Al+3].[O-]S(=O)(=O)[O-],[OH-].[Al+3].[O-]S(=O)(=O)[O-],"InChI=1/Al.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+3;;/p-3",AlHO5S,,,,,,STNCDALPBBWSTC-UHFFFAOYSA-K,,,,,,,,,,,
100.028.798,231-677-2,7681-79-0,Etafedrine,2-[ethyl(methyl)amino]-1-phenylpropan-1-ol,CCN(C)C(C)C(O)c1ccccc1,CCN(C)C(C)C(O)c1ccccc1,"InChI=1/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3",C12H19NO,,,,,,IRVLBORJKFZWMI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.799,231-678-8,7681-80-3,Pentapiperium metilsulfate,"1,1-dimethyl-4-[(3-methyl-2-phenylpentanoyl)oxy]piperidinium methyl sulfate",CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)c2ccccc2.COS(=O)(=O)[O-],CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)c2ccccc2.COS(=O)(=O)[O-],"InChI=1/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C19H30NO2.CH3O4S,,,,,,YGURFDXYQNOJCS-UHFFFAOYSA-M,,,,,,,,,,,
100.028.811,231-691-9,7685-69-0,N-[(o-nitrophenyl)thio]-L-serine,N-[(2-nitrophenyl)sulfanyl]serine,OC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O,OC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O,"InChI=1/C9H10N2O5S/c12-5-6(9(13)14)10-17-8-4-2-1-3-7(8)11(15)16/h1-4,6,10,12H,5H2,(H,13,14)",C9H10N2O5S,,,,,,RMZDLHKFENWOGO-LURJTMIESA-N,,,,,,,,,,,
100.028.813,231-694-5,7685-72-5,N2-[(2-nitrophenyl)thio]-L-asparagine,N~2~-[(2-nitrophenyl)sulfanyl]-L-asparagine,NC(=O)C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O,NC(=O)C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O,"InChI=1/C10H11N3O5S/c11-9(14)5-6(10(15)16)12-19-8-4-2-1-3-7(8)13(17)18/h1-4,6,12H,5H2,(H2,11,14)(H,15,16)",C10H11N3O5S,,,,,,SCYCMFQAMTUOEU-LURJTMIESA-N,,,,,,,,,,,
100.028.814,231-695-0,7686-78-4,"Diethyl 2-vinylcyclopropane-1,1-dicarboxylate","diethyl 2-vinylcyclopropane-1,1-dicarboxylate",CCOC(=O)C1(CC1C=C)C(=O)OCC,CCOC(=O)C1(CC1C=C)C(=O)OCC,"InChI=1/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3",C11H16O4,,,,,,UOQTXZICFVMERR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.819,231-700-6,7690-79-1,N-(o-nitrophenylthio)-L-isoleucine,N-[(2-nitrophenyl)sulfanyl]-L-isoleucine,CCC(C)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O,CCC(C)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O,"InChI=1/C12H16N2O4S/c1-3-8(2)11(12(15)16)13-19-10-7-5-4-6-9(10)14(17)18/h4-8,11,13H,3H2,1-2H3,(H,15,16)",C12H16N2O4S,,,,,,UFHDHBSNSXORPU-LYNSQETBSA-N,,,,,,,,,,,
100.013.052,214-356-1,1122-69-6,2-ethyl-6-methylpyridine,2-ethyl-6-methylpyridine,CCc1cccc(C)n1,CCc1cccc(C)n1,"InChI=1/C8H11N/c1-3-8-6-4-5-7(2)9-8/h4-6H,3H2,1-2H3",C8H11N,,,,,,SFSXNVBMAODLGN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.053,214-357-7,1122-70-9,6-methyl-2-vinylpyridine,2-methyl-6-vinylpyridine,Cc1cccc(C=C)n1,Cc1cccc(C=C)n1,"InChI=1/C8H9N/c1-3-8-6-4-5-7(2)9-8/h3-6H,1H2,2H3",C8H9N,,,,,,VMWGBWNAHAUQIO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.059,214-364-5,1122-85-6,Phenyl cyanate,phenyl cyanate,N#COc1ccccc1,N#COc1ccccc1,InChI=1/C7H5NO/c8-6-9-7-4-2-1-3-5-7/h1-5H,C7H5NO,,,,,,CWHFDTWZHFRTAB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.061,214-366-6,1122-93-6,Potassium p-methoxyphenolate,potassium 4-methoxyphenolate,[K+].COc1ccc([O-])cc1,[K+].COc1ccc([O-])cc1,"InChI=1/C7H8O2.K/c1-9-7-4-2-6(8)3-5-7;/h2-5,8H,1H3;/q;+1/p-1",C7H8O2.K,,,,,,NOCQQZLSUGMTIS-UHFFFAOYSA-M,,,,,,,,,,,
100.013.065,214-370-8,1123-19-9,a-acetyl-a-methyl-<U+03B3>-butyrolactone,3-acetyl-3-methyldihydrofuran-2(3H)-one,CC(=O)C1(C)CCOC1=O,CC(=O)C1(C)CCOC1=O,"InChI=1/C7H10O3/c1-5(8)7(2)3-4-10-6(7)9/h3-4H2,1-2H3",C7H10O3,,,,,,VKDGCPFTXXDWQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.066,214-371-3,1123-25-7,1-methylcyclohexane-1-carboxylic acid,1-methylcyclohexanecarboxylic acid,CC1(CCCCC1)C(=O)O,CC1(CCCCC1)C(=O)O,"InChI=1/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)",C8H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12491,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.066,REHQLKUNRPCYEW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.071,214-377-6,1123-73-5,3-ethyl-o-cresol,3-ethyl-2-methylphenol,CCc1cccc(O)c1C,CCc1cccc(O)c1C,"InChI=1/C9H12O/c1-3-8-5-4-6-9(10)7(8)2/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,IVFJPARIJHUGPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.072,214-378-1,1123-84-8,"2,5-dichlorostyrene","1,4-dichloro-2-vinylbenzene",Clc1ccc(Cl)c(C=C)c1,Clc1ccc(Cl)c(C=C)c1,"InChI=1/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2",C8H6Cl2,,,,,,IZMZREOTRMMCCB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.074,214-380-2,1123-86-0,1-cyclohexylpropan-1-one,1-cyclohexylpropan-1-one,CCC(=O)C1CCCCC1,CCC(=O)C1CCCCC1,"InChI=1/C9H16O/c1-2-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3",C9H16O,,,,,,AMHOPTNGSNYSBL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.079,214-386-5,1124-04-5,"2-chloro-4,5-xylenol","2-chloro-4,5-dimethylphenol",Cc1cc(O)c(Cl)cc1C,Cc1cc(O)c(Cl)cc1C,"InChI=1/C8H9ClO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3",C8H9ClO,,,,,,PSOJLBXHRBFLLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.080,214-387-0,1124-05-6,"2,5-dichloro-p-xylene","1,4-dichloro-2,5-dimethylbenzene",Cc1cc(Cl)c(C)cc1Cl,Cc1cc(Cl)c(C)cc1Cl,"InChI=1/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3",C8H8Cl2,,,,,,UTGSRNVBAFCOEU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.082,214-389-1,1124-07-8,"4,6-dichloro-m-cresol","2,4-dichloro-5-methylphenol",Cc1cc(O)c(Cl)cc1Cl,Cc1cc(O)c(Cl)cc1Cl,"InChI=1/C7H6Cl2O/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3",C7H6Cl2O,,,,,,NDCNJVOXMCCKBP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.914,231-805-7,7743-96-6,"9-fluoro-11ß,17-dihydroxy-16a-methyl-3,20-dioxopregna-1,4-dien-21-yl 2-[2-(2-ethoxyethoxy)ethoxy]acetate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl [2-(2-ethoxyethoxy)ethoxy]acetate",CCOCCOCCOCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCOCCOCCOCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C30H43FO9/c1-5-37-10-11-38-12-13-39-18-26(35)40-17-25(34)30(36)19(2)14-23-22-7-6-20-15-21(32)8-9-27(20,3)29(22,31)24(33)16-28(23,30)4/h8-9,15,19,22-24,33,36H,5-7,10-14,16-18H2,1-4H3",C30H43FO9,,,,,,AXUFUYKLWKUANP-QMZFSIOOSA-N,,,,,,,,,,,
100.028.915,231-806-2,7745-88-2,3-chloro-4-methylanilinium hydrogen sulphate,3-chloro-4-methylanilinium hydrogen sulfate,Cc1ccc([NH3+])cc1Cl.[O-]S(=O)(=O)[O-],Cc1ccc([NH3+])cc1Cl.[O-]S(=O)(=O)[O-],"InChI=1/C7H8ClN.H2O4S/c1-5-2-3-6(9)4-7(5)8;1-5(2,3)4/h2-4H,9H2,1H3;(H2,1,2,3,4)/p-1",C7H8ClN.H2O4S,,,,,,RMTRDZIMQHDKDP-UHFFFAOYSA-M,,,,,,,,,,,
100.028.921,231-813-0,7755-92-2,Piperazine-1-carbaldehyde,piperazine-1-carbaldehyde,O=CN1CCNCC1,O=CN1CCNCC1,"InChI=1/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2",C5H10N2O,,,,,,MSSDTZLYNMFTKN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.924,231-816-7,7756-96-9,Butyl anthranilate,butyl 2-aminobenzoate,CCCCOC(=O)c1ccccc1N,CCCCOC(=O)c1ccccc1N,"InChI=1/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3",C11H15NO2,,,,,,HUIYGGQINIVDNW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.925,231-817-2,7757-69-9,"Carbonic acid, magnesium salt",magnesium carbonate,[Mg+2].[O-]C(=O)[O-],[Mg+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.xMg,,,,,,ZLNQQNXFFQJAID-UHFFFAOYSA-L,,,,,,,,,,,
100.028.939,231-832-4,7758-09-0,Potassium nitrite,potassium nitrite,[K+].[O-]N=O,[K+].[O-]N=O,"InChI=1/K.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",HNO2.K,,,,,,BXNHTSHTPBPRFX-UHFFFAOYSA-M,,,,,,,,,,,
100.028.940,231-834-5,4/11/7758,Dipotassium hydrogenorthophosphate,dipotassium hydrogen phosphate,[K+].[K+].OP(=O)([O-])[O-],[K+].[K+].OP(=O)([O-])[O-],"InChI=1/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",H3O4P.2K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14877,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.940,ZPWVASYFFYYZEW-UHFFFAOYSA-L,,,,,,,,,,,
100.015.038,216-541-2,1609-21-8,1-decylpyridinium chloride,1-decylpyridinium chloride,[Cl-].CCCCCCCCCC[n+]1ccccc1,[Cl-].CCCCCCCCCC[n+]1ccccc1,"InChI=1/C15H26N.ClH/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;/h9,11-12,14-15H,2-8,10,13H2,1H3;1H/q+1;/p-1",C15H26N.Cl,,,,,,HJUPHPDWOUZDKH-UHFFFAOYSA-M,,,,,,,,,,,
100.015.039,216-542-8,1609-47-8,Diethyl pyrocarbonate,diethyl dicarbonate,CCOC(=O)OC(=O)OCC,CCOC(=O)OC(=O)OCC,"InChI=1/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3",C6H10O5,,,,,,FFYPMLJYZAEMQB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.048,216-552-2,1611-31-0,Diisopropyl hydrogen phosphate,diisopropyl hydrogen phosphate,CC(C)OP(=O)(O)OC(C)C,CC(C)OP(=O)(O)OC(C)C,"InChI=1/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)",C6H15O4P,,,,,,WZPMZMCZAGFKOC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.053,216-558-5,1612-64-2,"N,N-dimethyl-4-[2-(2-quinolyl)vinyl]aniline","N,N-dimethyl-4-(2-quinolin-2-ylvinyl)aniline",CN(C)c1ccc(\\C=C\\c2ccc3ccccc3n2)cc1,CN(C)c1ccc(\C=C\c2ccc3ccccc3n2)cc1,"InChI=1/C19H18N2/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17/h3-14H,1-2H3",C19H18N2,,,,,,YMIKUHVSRFHPOP-YRNVUSSQSA-N,,,,,,,,,,,
100.015.058,216-563-2,1614-20-6,Nifurprazine,6-[2-(5-nitro-2-furyl)vinyl]pyridazin-3-amine,O=[N+]([O-])c2ccc(C=Cc1ccc(N)nn1)o2,O=[N+]([O-])c2ccc(C=Cc1ccc(N)nn1)o2,"InChI=1/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)",C10H8N4O3,,,,,,XDWLRMBWIWKFNC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.059,216-564-8,1615-02-7,p-chlorocinnamic acid,3-(4-chlorophenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(Cl)cc1,OC(=O)\C=C\c1ccc(Cl)cc1,"InChI=1/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)",C9H7ClO2,,,,,,GXLIFJYFGMHYDY-ZZXKWVIFSA-N,,,,,,,,,,,
100.015.060,216-565-3,1615-14-1,1H-imidazole-1-ethanol,2-(1H-imidazol-1-yl)ethanol,OCCn1ccnc1,OCCn1ccnc1,"InChI=1/C5H8N2O/c8-4-3-7-2-1-6-5-7/h1-2,5,8H,3-4H2",C5H8N2O,,,,,,AMSDWLOANMAILF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.068,223-174-1,3760-20-1,2-ethylcyclohexanol,2-ethylcyclohexanol,CCC1CCCCC1O,CCC1CCCCC1O,"InChI=1/C8H16O/c1-2-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3",C8H16O,,,,,,CFYUBZHJDXXXQE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.069,223-175-7,3760-54-1,Pyrrolidine-1-carbaldehyde,pyrrolidine-1-carbaldehyde,O=CN1CCCC1,O=CN1CCCC1,"InChI=1/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2",C5H9NO,,,,,,AGRIQBHIKABLPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.071,223-177-8,3761-48-6,4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,CCN(CC)CCNC(=O)c1ccc(N)cc1OC,CCN(CC)CCNC(=O)c1ccc(N)cc1OC,"InChI=1/C14H23N3O2/c1-4-17(5-2)9-8-16-14(18)12-7-6-11(15)10-13(12)19-3/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18)",C14H23N3O2,,,,,,AQOCQFLDHPSJLR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.075,223-182-5,3763-72-2,"2,2'-sulphonylbisethyl diacetate","sulfonyldiethane-2,1-diyl diacetate",CC(=O)OCCS(=O)(=O)CCOC(=O)C,CC(=O)OCCS(=O)(=O)CCOC(=O)C,"InChI=1/C8H14O6S/c1-7(9)13-3-5-15(11,12)6-4-14-8(2)10/h3-6H2,1-2H3",C8H14O6S,,,,,,ZNEZVLKEOCTFHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.076,223-183-0,3764-01-0,"2,4,6-trichloropyrimidine","2,4,6-trichloropyrimidine",Clc1cc(Cl)nc(Cl)n1,Clc1cc(Cl)nc(Cl)n1,InChI=1/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H,C4HCl3N2,,,,,,DPVIABCMTHHTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.078,223-185-1,3765-28-4,"2-[2-(3,3-dimethyloxiranyl)vinyl]-2,3-dimethyloxirane","1,2:5,6-dianhydro-3,4,7-trideoxy-1,1,5-trimethylhept-3-enitol",CC1OC1(C)\\C=C\\C2OC2(C)C,CC1OC1(C)\C=C\C2OC2(C)C,"InChI=1/C10H16O2/c1-7-10(4,11-7)6-5-8-9(2,3)12-8/h5-8H,1-4H3",C10H16O2,,,,,,AJXYQJKBNYBUFD-AATRIKPKSA-N,,,,,,,,,,,
100.021.084,223-191-4,3767-68-8,1-amino-4-(benzothiazol-2-ylthio)anthraquinone,"1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-anthraquinone",Nc1ccc(Sc2nc3ccccc3s2)c4C(=O)c5ccccc5C(=O)c14,Nc1ccc(Sc2nc3ccccc3s2)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C21H12N2O2S2/c22-13-9-10-16(27-21-23-14-7-3-4-8-15(14)26-21)18-17(13)19(24)11-5-1-2-6-12(11)20(18)25/h1-10H,22H2",C21H12N2O2S2,,,,,,LZBSRGGBVAHAED-UHFFFAOYSA-N,,,,,,,,,,,
100.021.090,223-198-2,3768-56-7,1-(trimethylsilyl)piperidine,1-(trimethylsilyl)piperidine,C[Si](C)(C)N1CCCCC1,C[Si](C)(C)N1CCCCC1,"InChI=1/C8H19NSi/c1-10(2,3)9-7-5-4-6-8-9/h4-8H2,1-3H3",C8H19NSi,,,,,,WLADIVUISABQHN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.096,223-204-3,3769-61-7,"Disodium 5-amino-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-amino-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc3c(cc(cc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O,[Na+].[Na+].Oc3c(cc(cc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C16H11N5O12S2.2Na/c17-9-5-8(34(28,29)30)1-6-2-12(35(31,32)33)14(16(23)13(6)9)19-18-10-3-7(20(24)25)4-11(15(10)22)21(26)27;;/h1-5,22-23H,17H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C16H11N5O12S2.2Na,,,,,,BQGYUNGTFSKSJF-UHFFFAOYSA-L,,,,,,,,,,,
100.017.929,219-721-9,2508-84-1,4-amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid,"4-amino-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",NC1C(=O)N(N=C1C(=O)O)c2ccc(cc2)S(=O)(=O)O,NC1C(=O)N(N=C1C(=O)O)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C10H9N3O6S/c11-7-8(10(15)16)12-13(9(7)14)5-1-3-6(4-2-5)20(17,18)19/h1-4,7H,11H2,(H,15,16)(H,17,18,19)",C10H9N3O6S,,,,,,VBKMDGXBOWYWHE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.987,214-285-6,1119-65-9,Hept-2-yne,hept-2-yne,CCCCC#CC,CCCCC#CC,"InChI=1/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3",C7H12,,,,,,AMSFEMSYKQQCHL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.990,214-288-2,1119-86-4,"Decane-1,2-diol","decane-1,2-diol",CCCCCCCCC(O)CO,CCCCCCCCC(O)CO,"InChI=1/C10H22O2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3",C10H22O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17615,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.990,YSRSBDQINUMTIF-UHFFFAOYSA-N,,,,,,,,,,,
100.012.994,214-292-4,1120-01-0,Sodium hexadecyl sulphate,sodium hexadecyl sulfate,[Na+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1",C16H34O4S.Na,,,,,,GGHPAKFFUZUEKL-UHFFFAOYSA-M,,,,,,,,,,,
100.012.995,214-294-5,1120-02-1,Trimethyloctadecylammonium bromide,"N,N,N-trimethyloctadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C,[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1",C21H46N.Br,,,,,,SZEMGTQCPRNXEG-UHFFFAOYSA-M,,,,,,,,,,,
100.012.996,214-295-0,1120-04-3,Sodium octadecyl sulphate,sodium octadecyl sulfate,[Na+].CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C18H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1",C18H38O4S.Na,,,,,,NWZBFJYXRGSRGD-UHFFFAOYSA-M,,,,,,,,,,,
100.012.999,214-298-7,1120-16-7,Lauramide,lauramide,CCCCCCCCCCCC(=O)N,CCCCCCCCCCCC(=O)N,"InChI=1/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)",C12H25NO,,,,,,ILRSCQWREDREME-UHFFFAOYSA-N,,,,,,,,,,,
100.013.028,214-329-4,1121-31-9,Pyridine-2-thiol N-oxide,pyridine-2-thiol 1-oxide,[O-][n+]1ccccc1S,[O-][n+]1ccccc1S,"InChI=1/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H",C5H5NOS,,,,,,FGVVTMRZYROCTH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.031,214-333-6,1121-60-4,Pyridine-2-carbaldehyde,pyridine-2-carbaldehyde,O=Cc1ccccn1,O=Cc1ccccn1,InChI=1/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H,C6H5NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11236,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.031,CSDSSGBPEUDDEE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.236,229-960-0,4/08/6862,"2,2,5,5-tetramethyloxazolidin-4-one","2,2,5,5-tetramethyl-1,3-oxazolidin-4-one",CC1(C)NC(=O)C(C)(C)O1,CC1(C)NC(=O)C(C)(C)O1,"InChI=1/C7H13NO2/c1-6(2)5(9)8-7(3,4)10-6/h1-4H3,(H,8,9)",C7H13NO2,,,,,,UTADHIFAFYGZKD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.239,229-963-7,6864-62-6,Phenyl acetoacetate,phenyl 3-oxobutanoate,CC(=O)CC(=O)Oc1ccccc1,CC(=O)CC(=O)Oc1ccccc1,"InChI=1/C10H10O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h2-6H,7H2,1H3",C10H10O3,,,,,,PFENPVAFZTUOOM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.245,229-970-5,6871-80-3,"N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)bis[9,10-dihydro-9,10-dioxoanthracene-2-carboxamide]","N,N'-(5,10,15,17-tetraoxo-10,15,16,17-tetrahydro-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)bis(9,10-dioxo-9,10-dihydroanthracene-2-carboxamide)",O=C(Nc1cc2c3cc(NC(=O)c4ccc5C(=O)c6ccccc6C(=O)c5c4)c7C(=O)c8ccccc8C(=O)c7c3[nH]c2c9C(=O)c%10ccccc%10C(=O)c19)c%11ccc%12C(=O)c%13ccccc%13C(=O)c%12c%11,O=C(Nc1cc2c3cc(NC(=O)c4ccc5C(=O)c6ccccc6C(=O)c5c4)c7C(=O)c8ccccc8C(=O)c7c3[nH]c2c9C(=O)c%10ccccc%10C(=O)c19)c%11ccc%12C(=O)c%13ccccc%13C(=O)c%12c%11,"InChI=1/C58H27N3O10/c62-49-27-9-1-3-11-29(27)51(64)39-21-25(17-19-35(39)49)57(70)59-41-23-37-38-24-42(60-58(71)26-18-20-36-40(22-26)52(65)30-12-4-2-10-28(30)50(36)63)44-46(56(69)34-16-8-6-14-32(34)54(44)67)48(38)61-47(37)45-43(41)53(66)31-13-5-7-15-33(31)55(45)68/h1-24,61H,(H,59,70)(H,60,71)",C58H27N3O10,,,,,,AJDLDTCLIYZCBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.876,231-762-4,7722-73-8,"1,1',1''-(benzene-1,3,5-triyltricarbonyl)tris[2-ethylaziridine]","1,1',1''-(benzene-1,3,5-triyltricarbonyl)tris(2-ethylaziridine)",CCC1CN1C(=O)c2cc(cc(c2)C(=O)N3CC3CC)C(=O)N4CC4CC,CCC1CN1C(=O)c2cc(cc(c2)C(=O)N3CC3CC)C(=O)N4CC4CC,"InChI=1/C21H27N3O3/c1-4-16-10-22(16)19(25)13-7-14(20(26)23-11-17(23)5-2)9-15(8-13)21(27)24-12-18(24)6-3/h7-9,16-18H,4-6,10-12H2,1-3H3",C21H27N3O3,,,,,,WTGFSHHTVSYGMF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.882,231-769-2,7724-15-4,6-p-toluidinonaphthalene-2-sulphonic acid,6-[(4-methylphenyl)amino]naphthalene-2-sulfonic acid,Cc1ccc(Nc2ccc3cc(ccc3c2)S(=O)(=O)O)cc1,Cc1ccc(Nc2ccc3cc(ccc3c2)S(=O)(=O)O)cc1,"InChI=1/C17H15NO3S/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16/h2-11,18H,1H3,(H,19,20,21)",C17H15NO3S,,,,,,VTRBOZNMGVDGHY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.886,231-773-4,6/03/7726,Cholest-5-en-3ß-yl valerate,cholest-5-en-3-yl valerate,CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3",C32H54O2,,,,,,RWTQCZGAMKTBRV-PTHRTHQKSA-N,,,,,,,,,,,
100.028.896,231-784-4,7727-43-7,Barium sulfate,barium sulfate,[Ba+2].[O-]S(=O)(=O)[O-],[Ba+2].[O-]S(=O)(=O)[O-],"InChI=1/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Ba.H2O4S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15235,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.896,TZCXTZWJZNENPQ-UHFFFAOYSA-L,,,,,,,,,,,
100.028.820,231-701-1,3/02/7691,"N-(dimethylvinylsilyl)-1,1-dimethyl-1-vinylsilylamine","N-[dimethyl(vinyl)silyl]-1,1-dimethyl-1-vinylsilanamine",C[Si](C)(N[Si](C)(C)C=C)C=C,C[Si](C)(N[Si](C)(C)C=C)C=C,"InChI=1/C8H19NSi2/c1-7-10(3,4)9-11(5,6)8-2/h7-9H,1-2H2,3-6H3",C8H19NSi2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5675,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.820,WYUIWUCVZCRTRH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.821,231-702-7,7691-71-6,"2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium","3-{2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-5,6-dimethyl-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(C)C=C2Sc1ccccc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(C)C=C2Sc1ccccc1N2CC,"InChI=1/C25H28N2O3S3/c1-5-26-20-9-6-7-10-22(20)31-24(26)13-17(2)14-25-27(11-8-12-33(28,29)30)21-15-18(3)19(4)16-23(21)32-25/h6-7,9-10,13-16H,5,8,11-12H2,1-4H3",C25H28N2O3S3,,,,,,BCISOBKQMRFGRW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.828,231-710-0,7695-91-2,"3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,"InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3",C31H52O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13377,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.828,ZAKOWWREFLAJOT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.829,231-711-6,7696-12-0,Tetramethrin,"(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,"InChI=1/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3",C19H25NO4,,,,,,CXBMCYHAMVGWJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.831,231-713-7,7697-28-1,4-bromo-3-methylbenzoic acid,4-bromo-3-methylbenzoic acid,Cc1cc(ccc1Br)C(=O)O,Cc1cc(ccc1Br)C(=O)O,"InChI=1/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)",C8H7BrO2,,,,,,KWVXDZLVCISXIB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.848,231-732-0,7705-14-8,(±)-1-methyl-4-(1-methylvinyl)cyclohexene,4-isopropenyl-1-methylcyclohexene,CC(=C)C1CCC(=CC1)C,CC(=C)C1CCC(=CC1)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C10H16,,,,,,XMGQYMWWDOXHJM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.853,231-737-8,7713-69-1,"N,1-dimethylpropylamine",N-methylbutan-2-amine,CCC(C)NC,CCC(C)NC,"InChI=1/C5H13N/c1-4-5(2)6-3/h5-6H,4H2,1-3H3",C5H13N,,,,,,PYFSCIWXNSXGNS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.854,231-738-3,7716-59-8,"N-ethyl-1,2-benzisothiazol-3-amine monohydrochloride","N-ethyl-1,2-benzisothiazol-3-amine hydrochloride",Cl.CCNc1nsc2ccccc12,Cl.CCNc1nsc2ccccc12,"InChI=1/C9H10N2S.ClH/c1-2-10-9-7-5-3-4-6-8(7)12-11-9;/h3-6H,2H2,1H3,(H,10,11);1H",C9H10N2S.ClH,,,,,,SZWACMABFMCJPV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.866,231-751-4,7720-39-0,1H-imidazol-2-amine,1H-imidazol-2-amine,Nc1ncc[nH]1,Nc1ncc[nH]1,"InChI=1/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)",C3H5N3,,,,,,DEPDDPLQZYCHOH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.869,231-755-6,9/01/7721,Tantalum pentachloride,-,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+2],[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+2],InChI=1/5ClH.Ta/h5*1H;/q;;;;;+2/p-5,Cl5Ta,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17339,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.869,XRFRIGYGTCCYDH-UHFFFAOYSA-I,,,,,,,,,,,
100.023.627,225-989-8,5202-78-8,N-vinylacetamide,N-vinylacetamide,CC(=O)NC=C,CC(=O)NC=C,"InChI=1/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)",C4H7NO,,,,,,RQAKESSLMFZVMC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.635,225-998-7,8/11/5205,3-methyl-2-butenyl benzoate,3-methylbut-2-en-1-yl benzoate,CC(=CCOC(=O)c1ccccc1)C,CC(=CCOC(=O)c1ccccc1)C,"InChI=1/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3",C12H14O2,,,,,,INVWRXWYYVMFQC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.639,226-002-3,5205-93-6,N-[3-(dimethylamino)propyl]methacrylamide,N-[3-(dimethylamino)propyl]-2-methylacrylamide,CN(C)CCCNC(=O)C(=C)C,CN(C)CCCNC(=O)C(=C)C,"InChI=1/C9H18N2O/c1-8(2)9(12)10-6-5-7-11(3)4/h1,5-7H2,2-4H3,(H,10,12)",C9H18N2O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10266,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.639,GDFCSMCGLZFNFY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.268,229-995-1,6891-44-7,[2-(methacryloyloxy)ethyl]trimethylammonium methyl sulphate,"2-(methacryloyloxy)-N,N,N-trimethylethanaminium methyl sulfate",COS(=O)(=O)[O-].CC(=C)C(=O)OCC[N+](C)(C)C,COS(=O)(=O)[O-].CC(=C)C(=O)OCC[N+](C)(C)C,"InChI=1/C9H18NO2.CH4O4S/c1-8(2)9(11)12-7-6-10(3,4)5;1-5-6(2,3)4/h1,6-7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1",C9H18NO2.CH3O4S,,,,,,IHBKAGRPNRKYAO-UHFFFAOYSA-M,,,,,,,,,,,
100.027.269,229-996-7,6891-45-8,2-butyl-p-cresol,2-butyl-4-methylphenol,CCCCc1cc(C)ccc1O,CCCCc1cc(C)ccc1O,"InChI=1/C11H16O/c1-3-4-5-10-8-9(2)6-7-11(10)12/h6-8,12H,3-5H2,1-2H3",C11H16O,,,,,,FEXBEKLLSUWSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.947,231-841-3,7758-88-5,Cerium trifluoride,cerium(3+) trifluoride,[F-].[F-].[F-].[Ce+3],[F-].[F-].[F-].[Ce+3],InChI=1/Ce.3FH/h;3*1H/q+3;;;/p-3,CeF3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12788,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.947,QCCDYNYSHILRDG-UHFFFAOYSA-K,,,,,,,,,,,
100.028.953,231-848-1,7759-00-4,Manganese silicate,manganese(2+) oxosilanediolate,[Mn+2].[O-][Si](=O)[O-],[Mn+2].[O-][Si](=O)[O-],InChI=1/Mn.O3Si/c;1-4(2)3/q+2;-2,H2O3Si.Mn,,,,,,ASTZLJPZXLHCSM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.957,231-852-3,7761-80-0,"4-[(4-oxocyclohexa-2,5-dien-1-yl)imino]phenyl acetate",4-[(4-hydroxyphenyl)amino]phenyl acetate,O=C(C)Oc1ccc(cc1)Nc2ccc(O)cc2,O=C(C)Oc1ccc(cc1)Nc2ccc(O)cc2,"InChI=1/C14H13NO3/c1-10(16)18-14-8-4-12(5-9-14)15-11-2-6-13(17)7-3-11/h2-9,15,17H,1H3",C14H11NO3,,,,,,VIBFMSGAUYADQA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.889,215-277-5,1317-61-9,Triiron tetraoxide,-,O1[Fe]O[Fe]2O[Fe]1O2,O1[Fe]O[Fe]2O[Fe]1O2,InChI=1/3Fe.4O/rFe3O4/c1-4-2-6-3(5-1)7-2,Fe3O4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15989,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.889,SZVJSHCCFOBDDC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.903,215-292-7,1319-73-9,"Methylstyrene, mixed isomers",1-methyl-4-vinylbenzene,Cc1ccc(C=C)cc1,Cc1ccc(C=C)cc1,"InChI=1/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3",C9H10,,,,,,JLBJTVDPSNHSKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.906,215-295-3,1320-06-5,1-[[4-[(dimethylphenyl)azo]dimethylphenyl]azo]-2-naphthol,"1-({4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethylphenyl}diazenyl)-2-naphthol",Cc4cccc(N=Nc3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3C)c4C,Cc4cccc(N=Nc3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3C)c4C,"InChI=1/C26H24N4O/c1-16-8-7-11-22(17(16)2)27-28-23-13-14-24(19(4)18(23)3)29-30-26-21-10-6-5-9-20(21)12-15-25(26)31/h5-15,31H,1-4H3",C26H24N4O,,,,,,KBQLHHZOZSGQGO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.913,215-304-0,1320-51-0,(hydroxyethyl)urea,1-(1-hydroxyethyl)urea,CC(O)NC(=O)N,CC(O)NC(=O)N,"InChI=1/C3H8N2O2/c1-2(6)5-3(4)7/h2,6H,1H3,(H3,4,5,7)",C3H8N2O2,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6734,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.913,SKCTWSAZZDSSFB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.383,225-720-4,5029-76-5,1-(2-benzylphenoxy)propan-2-ol,1-(2-benzylphenoxy)propan-2-ol,CC(O)COc1ccccc1Cc2ccccc2,CC(O)COc1ccccc1Cc2ccccc2,"InChI=1/C16H18O2/c1-13(17)12-18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3",C16H18O2,,,,,,LHJUTIWDMKWNPR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.389,225-727-2,5035-68-7,Tributyl(myristoyloxy)stannane,tributyl(tetradecanoyloxy)stannane,CCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C14H28O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;3*1-3-4-2;/h2-13H2,1H3,(H,15,16);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC26H54O2Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-26(27)28-29(23-10-6-2,24-11-7-3)25-12-8-4/h5-25H2,1-4H3",C26H54O2Sn,,,,,,BCOKZHHTWLADPY-UHFFFAOYSA-M,,,,,,,,,,,
100.023.391,225-729-3,2/02/5036,Tetramisole,"6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole",C1CN2CC(N=C2S1)c3ccccc3,C1CN2CC(N=C2S1)c3ccccc3,"InChI=1/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2",C11H12N2S,,,,,,HLFSDGLLUJUHTE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.397,225-736-1,5042-54-6,"5-(phenylazo)toluene-2,4-diamine","4-methyl-6-(phenyldiazenyl)benzene-1,3-diamine",Cc2cc(N=Nc1ccccc1)c(N)cc2N,Cc2cc(N=Nc1ccccc1)c(N)cc2N,"InChI=1/C13H14N4/c1-9-7-13(12(15)8-11(9)14)17-16-10-5-3-2-4-6-10/h2-8H,14-15H2,1H3",C13H14N4,,,,,,JSWCBDPQYMLZPU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.404,225-744-5,5045-40-9,"3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]","3,3'-[(2-methyl-1,3-phenylene)diimino]bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)",Cc1c(NC2=NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)cccc1NC4=NC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45,Cc1c(NC2=NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)cccc1NC4=NC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45,"InChI=1/C23H8Cl8N4O2/c1-5-6(32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24)3-2-4-7(5)33-21-9-11(23(37)35-21)15(27)19(31)17(29)13(9)25/h2-4H,1H3,(H,32,34,36)(H,33,35,37)",C23H8Cl8N4O2,,,,,,WZSFTHVIIGGDOI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.408,225-748-7,5049-61-6,2-aminopyrazine,pyrazin-2-amine,Nc1cnccn1,Nc1cnccn1,"InChI=1/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)",C4H5N3,,,,,,XFTQRUTUGRCSGO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.410,225-750-8,5051-62-7,Guanabenz,"2-(2,6-dichlorobenzylidene)hydrazinecarboximidamide",Clc1cccc(Cl)c1C=NNC(N)=N,Clc1cccc(Cl)c1C=NNC(N)=N,"InChI=1/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)",C8H8Cl2N4,,,,,,WDZVGELJXXEGPV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.411,225-751-3,5/06/5053,Fenspiride,"8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one",O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,"InChI=1/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)",C15H20N2O2,,,,,,FVNFBBAOMBJTST-UHFFFAOYSA-N,,,,,,,,,,,
100.023.418,225-759-7,5058-41-3,Titanium tributanolate,-,[Ti+2].CCCC[O-].CCCC[O-].CCCC[O-],[Ti+2].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/3C4H9O.Ti/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+2",C4H10O.1/3Ti,,,,,,ZKIIDGZWMSVXLH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.932,219-725-0,2510-55-6,Phenanthrene-9-carbonitrile,phenanthrene-9-carbonitrile,N#Cc1cc2ccccc2c3ccccc13,N#Cc1cc2ccccc2c3ccccc13,InChI=1/C15H9N/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9H,C15H9N,,,,,,CWFIYYOQYVYBPW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.940,219-733-4,4/05/2516,7-(dimethylamino)-3H-phenothiazin-3-one,7-(dimethylamino)-3H-phenothiazin-3-one,CN(C)c1ccc2N=C3C=CC(=O)C=C3Sc2c1,CN(C)c1ccc2N=C3C=CC(=O)C=C3Sc2c1,"InChI=1/C14H12N2OS/c1-16(2)9-3-5-11-13(7-9)18-14-8-10(17)4-6-12(14)15-11/h3-8H,1-2H3",C14H12N2OS,,,,,,ALJHHTHBYJROOG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.945,219-739-7,2516-96-3,2-chloro-5-nitrobenzoic acid,2-chloro-5-nitrobenzoic acid,OC(=O)c1cc(ccc1Cl)[N+](=O)[O-],OC(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)",C7H4ClNO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11817,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.945,QUEKGYQTRJVEQC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.947,219-741-8,2517-43-3,3-methoxybutan-1-ol,3-methoxybutan-1-ol,COC(C)CCO,COC(C)CCO,"InChI=1/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3",C5H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5155,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.947,JSGVZVOGOQILFM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.954,219-749-1,2522-81-8,Pibecarb,2-oxo-2-phenylethyl pivalate,CC(C)(C)C(=O)OCC(=O)c1ccccc1,CC(C)(C)C(=O)OCC(=O)c1ccccc1,"InChI=1/C13H16O3/c1-13(2,3)12(15)16-9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3",C13H16O3,,,,,,OTIZTAXUFMCICV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.963,219-759-6,2524-64-3,Diphenyl phosphorochloridate,diphenyl chlorophosphate,ClP(=O)(Oc1ccccc1)Oc2ccccc2,ClP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C12H10ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H",C12H10ClO3P,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7721,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.963,BHIIGRBMZRSDRI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.964,219-760-1,2524-67-6,4-morpholinoaniline,4-morpholin-4-ylaniline,Nc1ccc(cc1)N2CCOCC2,Nc1ccc(cc1)N2CCOCC2,"InChI=1/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2",C10H14N2O,,,,,,PHNDZBFLOPIMSM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.967,219-763-8,2525-62-4,1-hexyl isocyanate,1-isocyanatohexane,CCCCCCN=C=O,CCCCCCN=C=O,"InChI=1/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3",C7H13NO,,,,,,ANJPRQPHZGHVQB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.972,219-769-0,2527-59-5,"2,2'-dithiobis[N-ethylbenzamide]","2,2'-disulfanediylbis(N-ethylbenzamide)",CCNC(=O)c1ccccc1SSc2ccccc2C(=O)NCC,CCNC(=O)c1ccccc1SSc2ccccc2C(=O)NCC,"InChI=1/C18H20N2O2S2/c1-3-19-17(21)13-9-5-7-11-15(13)23-24-16-12-8-6-10-14(16)18(22)20-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)",C18H20N2O2S2,,,,,,IQNFPBPVAUBZGP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.226,224-447-8,4361-84-6,Ethyl 3-[4-[butyl(2-chloroethyl)amino]phenyl]-2-cyanoacrylate,ethyl 3-{4-[butyl(2-chloroethyl)amino]phenyl}-2-cyanoacrylate,CCCCN(CCCl)c1ccc(\\C=C(/C#N)\\C(=O)OCC)cc1,CCCCN(CCCl)c1ccc(\C=C(/C#N)\C(=O)OCC)cc1,"InChI=1/C18H23ClN2O2/c1-3-5-11-21(12-10-19)17-8-6-15(7-9-17)13-16(14-20)18(22)23-4-2/h6-9,13H,3-5,10-12H2,1-2H3",C18H23ClN2O2,,,,,,GNGFSYHRAPOLNI-DTQAZKPQSA-N,,,,,,,,,,,
100.022.227,224-448-3,4362-20-3,"2-benzyl-4-phenyl-1,3-dioxolane","2-benzyl-4-phenyl-1,3-dioxolane",C(C1OCC(O1)c2ccccc2)c3ccccc3,C(C1OCC(O1)c2ccccc2)c3ccccc3,"InChI=1/C16H16O2/c1-3-7-13(8-4-1)11-16-17-12-15(18-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",C16H16O2,,,,,,WIAZXGHBTOASSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.229,224-450-4,4362-36-1,"2-(2-chloroethyl)-1,3-dioxolane","2-(2-chloroethyl)-1,3-dioxolane",ClCCC1OCCO1,ClCCC1OCCO1,"InChI=1/C5H9ClO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2",C5H9ClO2,,,,,,GBKZPLIJKMRYTE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.244,224-467-7,4371-91-9,Hexamethyl diorthosilicate,trimethyl trimethoxysilyl orthosilicate,CO[Si](OC)(OC)O[Si](OC)(OC)OC,CO[Si](OC)(OC)O[Si](OC)(OC)OC,"InChI=1/C6H18O7Si2/c1-7-14(8-2,9-3)13-15(10-4,11-5)12-6/h1-6H3",C6H18O7Si2,,,,,,XOAJIYVOSJHEQB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.247,224-470-3,4372-46-7,Pyridoxine tripalmitate,"hexadecanoic acid - 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (3:1)",CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.Cc1ncc(CO)c(CO)c1O,CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.Cc1ncc(CO)c(CO)c1O,"InChI=1/3C16H32O2.C8H11NO3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5-8(12)7(4-11)6(3-10)2-9-5/h3*2-15H2,1H3,(H,17,18);2,10-12H,3-4H2,1H3",C56H101NO6,,,,,,LLZVURKUKQZPIV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.249,224-472-4,4375-14-8,Octahydro-1H-indole,octahydro-1H-indole,C1CCC2NCCC2C1,C1CCC2NCCC2C1,"InChI=1/C8H15N/c1-2-4-8-7(3-1)5-6-9-8/h7-9H,1-6H2",C8H15N,,,,,,PDELQDSYLBLPQO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.502,218-151-8,2055-40-5,p-isopropylstyrene,1-isopropyl-4-vinylbenzene,CC(C)c1ccc(C=C)cc1,CC(C)c1ccc(C=C)cc1,"InChI=1/C11H14/c1-4-10-5-7-11(8-6-10)9(2)3/h4-9H,1H2,2-3H3",C11H14,,,,,,QQHQTCGEZWTSEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.506,218-156-5,2057-42-3,2-[1-(but-2-enyl)pent-3-enyl]pyridine,2-(1-but-2-en-1-ylpent-3-en-1-yl)pyridine,CC=CCC(CC=CC)c1ccccn1,CC=CCC(CC=CC)c1ccccn1,"InChI=1/C14H19N/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-15-14/h3-8,11-13H,9-10H2,1-2H3",C14H19N,,,,,,XFZKOJSWZJWDEK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.901,231-790-7,7731-29-5,trans-4-methylcyclohexanol,4-methylcyclohexanol,C[C@@H]1CC[C@@H](O)CC1,C[C@@H]1CC[C@@H](O)CC1,"InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3",C7H14O,,,,,,MQWCXKGKQLNYQG-LJGSYFOKSA-N,,,,,,,,,,,
100.028.902,231-791-2,7732-18-5,Water,water,O,O,InChI=1/H2O/h1H2,H2O,,,,,,XLYOFNOQVPJJNP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.802,215-181-3,1310-58-3,Potassium hydroxide,potassium hydroxide,[OH-].[K+],[OH-].[K+],InChI=1/K.H2O/h;1H2/q+1;/p-1,HKO,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15804,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.802,KWYUFKZDYYNOTN-UHFFFAOYSA-M,,,,,,,,,,,
100.013.805,215-185-5,1310-73-2,Sodium hydroxide,sodium hydroxide,[OH-].[Na+],[OH-].[Na+],InChI=1/Na.H2O/h;1H2/q+1;/p-1,HNaO,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15566,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.805,HEMHJVSKTPXQMS-UHFFFAOYSA-M,,,,,,,,,,,
100.013.823,215-204-7,1313-27-5,Molybdenum trioxide,trioxomolybdenum,O=[Mo](=O)=O,O=[Mo](=O)=O,InChI=1/Mo.3O/rMoO3/c2-1(3)4,MoO3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15499,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.823,JKQOBWVOAYFWKG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.206,225-527-5,4900-30-5,"Nona-1,8-diene","nona-1,8-diene",C=CCCCCCC=C,C=CCCCCCC=C,"InChI=1/C9H16/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-9H2",C9H16,,,,,,VJHGSLHHMIELQD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.207,225-528-0,4900-63-4,Methyl 4-nitronaphthyl ether,1-methoxy-4-nitronaphthalene,COc1ccc(c2ccccc12)[N+](=O)[O-],COc1ccc(c2ccccc12)[N+](=O)[O-],"InChI=1/C11H9NO3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3",C11H9NO3,,,,,,YFJKGPRYPHFGQD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.216,225-538-5,4911-70-0,"2,3-dimethylpentan-2-ol","2,3-dimethylpentan-2-ol",CCC(C)C(C)(C)O,CCC(C)C(C)(C)O,"InChI=1/C7H16O/c1-5-6(2)7(3,4)8/h6,8H,5H2,1-4H3",C7H16O,,,,,,YRSIFCHKXFKNME-UHFFFAOYSA-N,,,,,,,,,,,
100.023.221,225-543-2,4916-57-8,"4,4'-ethylenedipyridine","4,4'-ethane-1,2-diyldipyridine",C(Cc1ccncc1)c2ccncc2,C(Cc1ccncc1)c2ccncc2,"InChI=1/C12H12N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H,1-2H2",C12H12N2,,,,,,DQRKTVIJNCVZAX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.226,225-549-5,4920-80-3,3-methoxy-2-nitrobenzoic acid,3-methoxy-2-nitrobenzoic acid,COc1cccc(C(=O)O)c1[N+](=O)[O-],COc1cccc(C(=O)O)c1[N+](=O)[O-],"InChI=1/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO5,,,,,,YMOMYSDAOXOCID-UHFFFAOYSA-N,,,,,,,,,,,
100.023.228,225-551-6,4920-84-7,"1,3-dimethoxy-4-nitrobenzene","2,4-dimethoxy-1-nitrobenzene",COc1ccc(c(OC)c1)[N+](=O)[O-],COc1ccc(c(OC)c1)[N+](=O)[O-],"InChI=1/C8H9NO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3",C8H9NO4,,,,,,XXWIYOBCHKCWNT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.237,225-561-0,4927-36-0,5-methyl-5-phenylhexan-3-one,5-methyl-5-phenylhexan-3-one,CCC(=O)CC(C)(C)c1ccccc1,CCC(=O)CC(C)(C)c1ccccc1,"InChI=1/C13H18O/c1-4-12(14)10-13(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3",C13H18O,,,,,,VEZKFOIEZCNFBT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.249,225-574-1,4935-81-3,"5-phenyl-2,3,7-tris(phenylamino)phenazinium chloride","2,3,7-trianilino-5-phenylphenazin-5-ium chloride",[Cl-].N(c1ccccc1)c2ccc3nc4cc(Nc5ccccc5)c(Nc6ccccc6)cc4[n+](c7ccccc7)c3c2,[Cl-].N(c1ccccc1)c2ccc3nc4cc(Nc5ccccc5)c(Nc6ccccc6)cc4[n+](c7ccccc7)c3c2,"InChI=1/C36H27N5.ClH/c1-5-13-26(14-6-1)37-29-21-22-31-35(23-29)41(30-19-11-4-12-20-30)36-25-33(39-28-17-9-3-10-18-28)32(24-34(36)40-31)38-27-15-7-2-8-16-27;/h1-25H,(H2,37,38,39,40);1H",C36H28N5.Cl,,,,,,QEUAIXPHEOFATM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.376,225-713-6,5025-82-1,3-acetylthiazolidine-4-carboxylic acid,"3-acetyl-1,3-thiazolidine-4-carboxylic acid",CC(=O)N1CSCC1C(=O)O,CC(=O)N1CSCC1C(=O)O,"InChI=1/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)",C6H9NO3S,,,,,,WXTBYSIPOKXCPM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.038,214-340-4,1121-89-7,Glutarimide,"piperidine-2,6-dione",O=C1CCCC(=O)N1,O=C1CCCC(=O)N1,"InChI=1/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)",C5H7NO2,,,,,,KNCYXPMJDCCGSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.042,214-345-1,1122-39-0,"2,4,5-trimethylpyridine","2,4,5-trimethylpyridine",Cc1cc(C)c(C)cn1,Cc1cc(C)c(C)cn1,"InChI=1/C8H11N/c1-6-4-8(3)9-5-7(6)2/h4-5H,1-3H3",C8H11N,,,,,,MNDSSKADVGDFDF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.047,214-350-9,1122-54-9,Methyl 4-pyridyl ketone,1-pyridin-4-ylethanone,CC(=O)c1ccncc1,CC(=O)c1ccncc1,"InChI=1/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3",C7H7NO,,,,,,WMQUKDQWMMOHSA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.058,214-362-4,1122-83-4,N-sulphinylaniline,N-sulfinylaniline,O=S=Nc1ccccc1,O=S=Nc1ccccc1,InChI=1/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H,C6H5NOS,,,,,,FIOJWGRGPONADF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.064,214-369-2,1123-09-7,"3,5-dimethylcyclohex-2-en-1-one","3,5-dimethylcyclohex-2-en-1-one",CC1CC(=CC(=O)C1)C,CC1CC(=CC(=O)C1)C,"InChI=1/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3",C8H12O,,,,,,NOQKKFBBAODEHN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.271,229-998-8,6892-68-8,"(R*,S*)-1,4-dimercaptobutane-2,3-diol","1,4-disulfanylbutane-2,3-diol",OC(CS)C(O)CS,OC(CS)C(O)CS,"InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2",C4H10O2S2,,,,,,VHJLVAABSRFDPM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.274,230-001-3,6897-40-1,"[7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetryl] tetrasulphate","7,16-dichloro-18-(sulfooxy)-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14-triyl trisulfate",OS(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c4Nc5c(Cl)cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6c5Nc4c(Cl)cc13,OS(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c4Nc5c(Cl)cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6c5Nc4c(Cl)cc13,"InChI=1/C28H16Cl2N2O16S4/c29-17-9-15-19(27(47-51(39,40)41)13-7-3-1-5-11(13)25(15)45-49(33,34)35)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(46-50(36,37)38)12-6-2-4-8-14(12)28(20)48-52(42,43)44/h1-10,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/p-3",C28H16Cl2N2O16S4,,,,,,HKPIBNMOFBOZQN-UHFFFAOYSA-K,,,,,,,,,,,
100.027.275,230-002-9,6898-20-0,"2,2,5,7-tetramethylindan-1-one","2,2,5,7-tetramethylindan-1-one",Cc1cc(C)c2C(=O)C(C)(C)Cc2c1,Cc1cc(C)c2C(=O)C(C)(C)Cc2c1,"InChI=1/C13H16O/c1-8-5-9(2)11-10(6-8)7-13(3,4)12(11)14/h5-6H,7H2,1-4H3",C13H16O,,,,,,RWIFGUZXEVRXFN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.281,230-009-7,6901-14-0,"[7S-(7a,7ba,10aa)]-N-(5,6,7,7b,8,10a-hexahydro-1,2,3,9-tetramethoxy-8-oxobenzo[a]cyclopenta[3,4]cyclobuta[1,2-c]cyclohepten-7-yl)acetamide","N-(1,2,3,9-tetramethoxy-8-oxo-5,6,7,7b,8,10a-hexahydrobenzo[a]cyclopenta[3,4]cyclobuta[1,2-c][7]annulen-7-yl)acetamide",COC1=CC2C(C1=O)C3=C2c4c(CCC3NC(=O)C)cc(OC)c(OC)c4OC,COC1=CC2C(C1=O)C3=C2c4c(CCC3NC(=O)C)cc(OC)c(OC)c4OC,"InChI=1/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)",C22H25NO6,,,,,,VKPVZFOUXUQJMW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.284,230-012-3,6903-83-9,N-(2-hydroxyethyl)-N-methylguanidine monohydrobromide,1-(2-hydroxyethyl)-1-methylguanidine hydrobromide,Br.CN(CCO)C(=N)N,Br.CN(CCO)C(=N)N,"InChI=1/C4H11N3O.BrH/c1-7(2-3-8)4(5)6;/h8H,2-3H2,1H3,(H3,5,6);1H",C4H11N3O.BrH,,,,,,DRZIYUDRTAHAMD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.287,230-016-5,6904-93-4,"5,7-dichloro-1,2-dihydro-2-(5,6,7-trichloro-3-oxobenzo[b]thien-2(3H)-ylidene)-3H-indol-3-one","5,7-dichloro-2-(5,6,7-trichloro-3-oxo-1-benzothiophen-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one",O=C3c4cc(Cl)cc(Cl)c4NC3=C2Sc1c(Cl)c(Cl)c(Cl)cc1C2=O,O=C3c4cc(Cl)cc(Cl)c4NC3=C2Sc1c(Cl)c(Cl)c(Cl)cc1C2=O,"InChI=1/C16H4Cl5NO2S/c17-4-1-5-11(8(19)2-4)22-12(13(5)23)16-14(24)6-3-7(18)9(20)10(21)15(6)25-16/h1-3,22H",C16H4Cl5NO2S,,,,,,TYUNCXNATFQTAL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.288,230-017-0,6908-41-4,Methyl 4-(hydroxymethyl)benzoate,methyl 4-(hydroxymethyl)benzoate,COC(=O)c1ccc(CO)cc1,COC(=O)c1ccc(CO)cc1,"InChI=1/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3",C9H10O3,,,,,,VBWFYEFYHJRJER-UHFFFAOYSA-N,,,,,,,,,,,
100.027.289,230-018-6,6908-42-5,Sodium [[1-(methoxycarbonyl)allyl]amino]phenylacetate,sodium {[1-(methoxycarbonyl)prop-2-en-1-yl]amino}(phenyl)acetate,[Na+].COC(=O)C(NC(C(=O)[O-])c1ccccc1)C=C,[Na+].COC(=O)C(NC(C(=O)[O-])c1ccccc1)C=C,"InChI=1/C13H15NO4.Na/c1-3-10(13(17)18-2)14-11(12(15)16)9-7-5-4-6-8-9;/h3-8,10-11,14H,1H2,2H3,(H,15,16);/q;+1/p-1",C13H15NO4.Na,,,,,,DXXSLDBGRGPPJR-UHFFFAOYSA-M,,,,,,,,,,,
100.027.292,230-021-2,6914-90-5,Isopropyl hydrogen sulphate,isopropyl hydrogen sulfate,CC(C)OS(=O)(=O)O,CC(C)OS(=O)(=O)O,"InChI=1/C3H8O4S/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H,4,5,6)",C3H8O4S,,,,,,IVNFTPCOZIGNAE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.293,230-022-8,6915-15-7,Malic acid,malic acid,OC(CC(=O)O)C(=O)O,OC(CC(=O)O)C(=O)O,"InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",C4H6O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11511,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.293,BJEPYKJPYRNKOW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.295,230-024-9,6917-35-7,Inositol,"cyclohexane-1,2,3,4,5,6-hexol",O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H,C6H12O6,,,,,,CDAISMWEOUEBRE-GPIVLXJGSA-N,,,,,,,,,,,
100.014.171,215-587-0,1333-39-7,Hydroxybenzenesulphonic acid,2-hydroxybenzenesulfonic acid,Oc1ccccc1S(=O)(=O)O,Oc1ccccc1S(=O)(=O)O,"InChI=1/C6H6O4S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4,7H,(H,8,9,10)",C6H6O4S,,,,,,IULJSGIJJZZUMF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.173,215-589-1,1333-44-4,Dimethylcyclohexanone,"2,2-dimethylcyclohexanone",CC1(C)CCCCC1=O,CC1(C)CCCCC1=O,"InChI=1/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3",C8H14O,,,,,,KNSPBSQWRKKAPI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.175,215-591-2,1333-46-6,Tolyl acetate,4-methylphenyl acetate,CC(=O)Oc1ccc(C)cc1,CC(=O)Oc1ccc(C)cc1,"InChI=1/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3",C9H10O2,,,,,,CDJJKTLOZJAGIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.177,215-593-3,1333-49-9,Dimethyloctan-2-ol,2-methylnonan-3-ol,CCCCCCC(O)C(C)C,CCCCCCC(O)C(C)C,"InChI=1/C10H22O/c1-4-5-6-7-8-10(11)9(2)3/h9-11H,4-8H2,1-3H3",C10H22O,,,,,,OFIYMUXECPHIPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.178,215-594-9,1333-52-4,1-(naphthyl)ethan-1-one,1-(1-naphthyl)ethanone,CC(=O)c1cccc2ccccc12,CC(=O)c1cccc2ccccc12,"InChI=1/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3",C12H10O,,,,,,QQLIGMASAVJVON-UHFFFAOYSA-N,,,,,,,,,,,
100.023.424,225-766-5,5061-22-3,Nafiverine,"piperazine-1,4-diyldiethane-2,1-diyl bis[2-(1-naphthyl)propanoate]",CC(C(=O)OCCN1CCN(CCOC(=O)C(C)c2cccc3ccccc23)CC1)c4cccc5ccccc45,CC(C(=O)OCCN1CCN(CCOC(=O)C(C)c2cccc3ccccc23)CC1)c4cccc5ccccc45,"InChI=1/C34H38N2O4/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30/h3-16,25-26H,17-24H2,1-2H3",C34H38N2O4,,,,,,ZLFQARCCMWUSQE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.426,225-768-6,5064-31-3,Trisodium nitrilotriacetate,"trisodium 2,2',2''-nitrilotriacetate",[Na+].[Na+].[Na+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[Na+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C6H9NO6.3Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3",C6H9NO6.3Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14301,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.426,DZCAZXAJPZCSCU-UHFFFAOYSA-K,,,,,,,,,,,
100.023.429,225-771-2,5066-94-4,5-(1-methylpropyl)-3-phenyl-2-thioxoimidazolidin-4-one,5-sec-butyl-3-phenyl-2-thioxoimidazolidin-4-one,CCC(C)C1NC(=S)N(C1=O)c2ccccc2,CCC(C)C1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C13H16N2OS/c1-3-9(2)11-12(16)15(13(17)14-11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,17)",C13H16N2OS,,,,,,NMRFWXLNHGJLIU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.095,214-404-1,1125-01-5,3-azaspiro[5.5]undecane hydrochloride,3-azaspiro[5.5]undecane hydrochloride,Cl.C1CCC2(CC1)CCNCC2,Cl.C1CCC2(CC1)CCNCC2,"InChI=1/C10H19N.ClH/c1-2-4-10(5-3-1)6-8-11-9-7-10;/h11H,1-9H2;1H",C10H19N.ClH,,,,,,XDRWSBJRLMRJKA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.104,214-414-6,1125-99-1,N-(cyclohex-1-en-1-yl)pyrrolidine,1-cyclohex-1-en-1-ylpyrrolidine,C1CCC(=CC1)N2CCCC2,C1CCC(=CC1)N2CCCC2,"InChI=1/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2",C10H17N,,,,,,KTZNVZJECQAMBV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.105,214-415-1,1126-00-7,1-phenylpyrazole,1-phenyl-1H-pyrazole,c1ccc(cc1)n2cccn2,c1ccc(cc1)n2cccn2,InChI=1/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H,C9H8N2,,,,,,WITMXBRCQWOZPX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.109,214-419-3,1126-34-7,Sodium 3-aminobenzenesulphonate,sodium 3-aminobenzenesulfonate,[Na+].Nc1cccc(c1)S(=O)(=O)[O-],[Na+].Nc1cccc(c1)S(=O)(=O)[O-],"InChI=1/C6H7NO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1",C6H7NO3S.Na,,,,,,GLXWXYTYBIBBLD-UHFFFAOYSA-M,,,,,,,,,,,
100.013.118,214-429-8,1127-35-1,"Benzo[b]thiophene-3(2H)-one 1,1-dioxide","1-benzothiophen-3(2H)-one 1,1-dioxide",O=C1CS(=O)(=O)c2ccccc12,O=C1CS(=O)(=O)c2ccccc12,"InChI=1/C8H6O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4H,5H2",C8H6O3S,,,,,,LXCYNALXWGQUIK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.119,214-430-3,1127-45-3,Quinolin-8-ol 1-oxide,quinolin-8-ol 1-oxide,Oc1cccc2ccc[n+]([O-])c12,Oc1cccc2ccc[n+]([O-])c12,"InChI=1/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H",C9H7NO2,,,,,,FJKUOCCQEBLPNX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.132,214-445-5,1129-37-9,4-nitrobenzaldehyde oxime,4-nitrobenzaldehyde oxime,O\\N=C\\c1ccc(cc1)[N+](=O)[O-],O\N=C\c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H",C7H6N2O3,,,,,,WTLPAVBACRIHHC-VMPITWQZSA-N,,,,,,,,,,,
100.013.138,214-451-8,1129-53-9,"2-(3,4-dihydroxyphenyl)acetamide","2-(3,4-dihydroxyphenyl)acetamide",NC(=O)Cc1ccc(O)c(O)c1,NC(=O)Cc1ccc(O)c(O)c1,"InChI=1/C8H9NO3/c9-8(12)4-5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2,(H2,9,12)",C8H9NO3,,,,,,PFDFJMIGPOJBQV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.139,214-452-3,1129-62-0,Butan-2-one phenylhydrazone,1-(1-methylpropylidene)-2-phenylhydrazine,CC(=NNc1ccccc1)CC,CC(=NNc1ccccc1)CC,"InChI=1/C10H14N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3",C10H14N2,,,,,,BPAJPMUNAALLEK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.966,231-862-8,7766-61-2,4-methylpentyl methacrylate,4-methylpentyl methacrylate,CC(C)CCCOC(=O)C(=C)C,CC(C)CCCOC(=O)C(=C)C,"InChI=1/C10H18O2/c1-8(2)6-5-7-12-10(11)9(3)4/h8H,3,5-7H2,1-2,4H3",C10H18O2,,,,,,TZCGFWIYMJNJIO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.971,231-868-0,7772-99-8,Tin dichloride,-,[Cl-].[Cl-].[Sn+4],[Cl-].[Cl-].[Sn+4],InChI=1/2ClH.Sn/h2*1H;/q;;+4/p-2,Cl2Sn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13167,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.971,HBCOVACXEULEEB-UHFFFAOYSA-L,,,,,,,,,,,
100.028.973,231-870-1,7/03/7773,Potassium hydrogen sulphite,potassium hydrogen sulfite,[K+].[O-]S(=O)[O-],[K+].[O-]S(=O)[O-],"InChI=1/K.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-2",H2O3S.K,,,,,,DJEHXEMURTVAOE-UHFFFAOYSA-L,,,,,,,,,,,
100.028.974,231-871-7,7773-06-0,Ammonium sulphamidate,ammonium sulfamate,[NH4+].NS(=O)(=O)[O-],[NH4+].NS(=O)(=O)[O-],"InChI=1/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3",H3NO3S.H3N,,,,,,GEHMBYLTCISYNY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.975,231-872-2,7773-34-4,"3,4-bis(4-methoxyphenyl)hex-3-ene","1,1'-hex-3-ene-3,4-diylbis(4-methoxybenzene)",COc1ccc(cc1)C(CC)=C(CC)c2ccc(OC)cc2,COc1ccc(cc1)C(CC)=C(CC)c2ccc(OC)cc2,"InChI=1/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3",C20H24O2,,,,,,VQOAQMIKPYNCMV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.983,231-881-1,7774-74-5,Thiophene-2-thiol,thiophene-2-thiol,Sc1cccs1,Sc1cccs1,"InChI=1/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H",C4H4S2,,,,,,SWEDAZLCYJDAGW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.510,218-160-7,8/02/2058,"1-amino-9,10-dihydro-4-nitro-9,10-dioxoanthracene-2-carboxylic acid","1-amino-4-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",Nc1c(cc(c2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-])C(=O)O,Nc1c(cc(c2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-])C(=O)O,"InChI=1/C15H8N2O6/c16-12-8(15(20)21)5-9(17(22)23)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5H,16H2,(H,20,21)",C15H8N2O6,,,,,,SSLUBNFUCQBYTP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.513,218-163-3,2058-58-4,D(-)-asparagine monohydrate,asparagine,NC(CC(=O)N)C(=O)O,NC(CC(=O)N)C(=O)O,"InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",C4H8N2O3,,,,,,DCXYFEDJOCDNAF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.520,218-171-7,2062-78-4,Pimozide,"1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one",Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5,Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5,"InChI=1/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)",C28H29F2N3O,,,,,,YVUQSNJEYSNKRX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.524,218-175-9,2065-00-1,"3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one","3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one",CC1(C)C(=CC(=O)C=C1O)O,CC1(C)C(=CC(=O)C=C1O)O,"InChI=1/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3-4,10-11H,1-2H3",C8H10O3,,,,,,ZITLVRQXJUFZOO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.064,216-570-0,1617-17-0,2-chloropropionitrile,2-chloropropanenitrile,CC(Cl)C#N,CC(Cl)C#N,"InChI=1/C3H4ClN/c1-3(4)2-5/h3H,1H3",C3H4ClN,,,,,,JNAYPRPPXRWGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.076,216-583-1,1620-14-0,(diethylamino)acetone,1-(diethylamino)acetone,CCN(CC)CC(=O)C,CCN(CC)CC(=O)C,"InChI=1/C7H15NO/c1-4-8(5-2)6-7(3)9/h4-6H2,1-3H3",C7H15NO,,,,,,GDXMMBDEMOUTNS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.078,216-585-2,1620-48-0,"2,6-di-tert-butyl-a-mercapto-p-cresol","2,6-di-tert-butyl-4-(sulfanylmethyl)phenol",CC(C)(C)c1cc(CS)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CS)cc(c1O)C(C)(C)C,"InChI=1/C15H24OS/c1-14(2,3)11-7-10(9-17)8-12(13(11)16)15(4,5)6/h7-8,16-17H,9H2,1-6H3",C15H24OS,,,,,,SMMZXHBQLPPFJF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.080,216-587-3,1620-68-4,"2,6-bis[(2-hydroxy-5-methylphenyl)methyl]p-cresol","2,6-bis(2-hydroxy-5-methylbenzyl)-4-methylphenol",Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1,Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1,"InChI=1/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3",C23H24O3,,,,,,MAQOZOILPAMFSW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.084,216-592-0,1620-98-0,"3,5-di-tert-butyl-4-hydroxybenzaldehyde","3,5-di-tert-butyl-4-hydroxybenzaldehyde",CC(C)(C)c1cc(C=O)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(C=O)cc(c1O)C(C)(C)C,"InChI=1/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3",C15H22O2,,,,,,DOZRDZLFLOODMB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.086,216-594-1,1622-32-8,(2-chloroethyl)sulphonyl chloride,2-chloroethanesulfonyl chloride,ClCCS(=O)(=O)Cl,ClCCS(=O)(=O)Cl,"InChI=1/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2",C2H4Cl2O2S,,,,,,VHCSBTPOPKFYIU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.088,216-596-2,1622-61-3,Clonazepam,"5-(2-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one",[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1,[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1,"InChI=1/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",C15H10ClN3O3,,,,,,DGBIGWXXNGSACT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.089,216-597-8,1622-62-4,Flunitrazepam,"5-(2-fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+](=O)[O-],CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+](=O)[O-],"InChI=1/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3",C16H12FN3O3,,,,,,PPTYJKAXVCCBDU-UHFFFAOYSA-N,Positive,AU159502|AU159503|AU159504|AU159505;EQ368101|EQ368102|EQ368103|EQ368104|EQ368105|EQ368106|EQ368107|EQ368108|EQ368109,[M+H]+;[M+H]+,CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,314.0936:315.0964:268.0998|268.1004:314.0936:300.0903|268.1003:300.09:240.1033|239.0974:183.0593:212.0854;314.0933|314.0933:268.1005:286.0986|268.1006:314.0934:300.0905|268.1006:239.0979:300.0905|239.0979:211.0793:183.0605|183.0605:198.0713:239.0979|183.0605:170.0527:165.0699|183.0605:163.0542:89.0385|163.0542:150.0464:181.0448,Athens_Univ;Eawag,,,,,
100.015.096,216-604-4,1623-15-0,Butyl dihydrogen phosphate,butyl dihydrogen phosphate,OP(=O)(O)OCCCC,OP(=O)(O)OCCCC,"InChI=1/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)",C4H11O4P,,,,,,BNMJSBUIDQYHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.100,216-609-1,1623-93-4,"[1,1'-biphenyl]-4-sulphonyl chloride",biphenyl-4-sulfonyl chloride,ClS(=O)(=O)c1ccc(cc1)c2ccccc2,ClS(=O)(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C12H9ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H",C12H9ClO2S,,,,,,ALBQXDHCMLLQMB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.102,216-611-2,1624-01-7,Octamethylsilanetetramine,"N,N,N',N',N'',N'',N''',N'''-octamethylsilanetetramine",CN(C)[Si](N(C)C)(N(C)C)N(C)C,CN(C)[Si](N(C)C)(N(C)C)N(C)C,"InChI=1/C8H24N4Si/c1-9(2)13(10(3)4,11(5)6)12(7)8/h1-8H3",C8H24N4Si,,,,,,SSCVMVQLICADPI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.104,216-613-3,1624-62-0,"3-methoxyoestra-1,3,5(10)-trien-17-one","3-methoxyestra-1,3,5(10)-trien-17-one",COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1,COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1,"InChI=1/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3",C19H24O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12646,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.104,BCWWDWHFBMPLFQ-VXNCWWDNSA-N,,,,,,,,,,,
100.013.081,214-388-6,1124-06-7,"4-chloro-2,5-xylenol","4-chloro-2,5-dimethylphenol",Cc1cc(Cl)c(C)cc1O,Cc1cc(Cl)c(C)cc1O,"InChI=1/C8H9ClO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3",C8H9ClO,,,,,,MMRJLQJSFOSVAM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.085,214-392-8,1124-13-6,"trans-cyclobutane-1,2-dicarboxylic acid","cyclobutane-1,2-dicarboxylic acid",OC(=O)C1CCC1C(=O)O,OC(=O)C1CCC1C(=O)O,"InChI=1/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)",C6H8O4,,,,,,SUSAGCZZQKACKE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.913,231-804-1,7743-39-7,"3,5-bis(acetylamino)benzoic acid","3,5-diacetamidobenzoic acid",CC(=O)Nc1cc(NC(=O)C)cc(c1)C(=O)O,CC(=O)Nc1cc(NC(=O)C)cc(c1)C(=O)O,"InChI=1/C11H12N2O4/c1-6(14)12-9-3-8(11(16)17)4-10(5-9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17)",C11H12N2O4,,,,,,GEDTXYBZWNEYAB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.928,231-820-9,7757-82-6,Sodium sulphate,disodium sulfate,[Na+].[Na+].[O-]S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)[O-],"InChI=1/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O4S.2Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15539,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.928,PMZURENOXWZQFD-UHFFFAOYSA-L,,,,,,,,,,,
100.028.934,231-827-7,7757-95-1,Nickel(2+) sulphite,nickel(2+) sulfite,[Ni+2].[O-]S(=O)[O-],[Ni+2].[O-]S(=O)[O-],"InChI=1/Ni.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",H2O3S.Ni,,,,,,LONQOCRNVIZRSA-UHFFFAOYSA-L,,,,,,,,,,,
100.028.936,231-829-8,2/01/7758,Potassium bromate,potassium bromate,[K+].[O-]Br(=O)=O,[K+].[O-]Br(=O)=O,"InChI=1/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",BrHO3.K,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12144,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.936,OCATYIAKPYKMPG-UHFFFAOYSA-M,,,,,,,,,,,
100.028.937,231-830-3,3/02/7758,Potassium bromide,potassium bromide,[K+].[Br-],[K+].[Br-],InChI=1/BrH.K/h1H;/q;+1/p-1,BrK,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13209,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.937,IOLCXVTUBQKXJR-UHFFFAOYSA-M,,,,,,,,,,,
100.028.938,231-831-9,6/05/7758,Potassium iodate,potassium iodate,[K+].[O-]I(=O)=O,[K+].[O-]I(=O)=O,"InChI=1/HIO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",HIO3.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13616,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.938,JLKDVMWYMMLWTI-UHFFFAOYSA-M,,,,,,,,,,,
100.028.950,231-845-5,7758-95-4,Lead dichloride,-,[Pb+2].[Cl-].[Cl-],[Pb+2].[Cl-].[Cl-],InChI=1/2ClH.Pb.2H/h2*1H;;;/q;;+4;;/p-2/r2ClH.H2Pb/h2*1H;1H2/q;;+4/p-2,Cl2Pb,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5248,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.950,HWSZZLVAJGOAAY-UHFFFAOYSA-L,,,,,,,,,,,
100.028.955,231-850-2,6/02/7759,Strontium sulphate,strontium sulfate,[Sr+2].[O-]S(=O)(=O)[O-],[Sr+2].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.Sr/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",H2O4S.Sr,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17239,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.955,UBXAKNTVXQMEAG-UHFFFAOYSA-L,,,,,,,,,,,
100.028.959,231-854-4,7763-16-8,N2-benzyl p-nitrophenyl N2-carboxy-L-(2-aminoglutaramate),4-nitrophenyl N~2~-[(benzyloxy)carbonyl]glutaminate,NC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)N(=O)=O,NC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)N(=O)=O,"InChI=1/C19H19N3O7/c20-17(23)11-10-16(21-19(25)28-12-13-4-2-1-3-5-13)18(24)29-15-8-6-14(7-9-15)22(26)27/h1-9,16H,10-12H2,(H2,20,23)(H,21,25)",C19H19N3O7,,,,,,KIVQPDPRDVIJDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.960,231-856-5,7764-29-6,"N,N'-thiobisphthalimide","2,2'-sulfanediylbis(1H-isoindole-1,3(2H)-dione)",O=C1N(SN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14,O=C1N(SN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14,InChI=1/C16H8N2O4S/c19-13-9-5-1-2-6-10(9)14(20)17(13)23-18-15(21)11-7-3-4-8-12(11)16(18)22/h1-8H,C16H8N2O4S,,,,,,QYIWBOWEQBEAGP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.961,231-857-0,7764-50-3,2-methyl-5-(1-methylvinyl)cyclohexan-1-one,5-isopropenyl-2-methylcyclohexanone,CC1CCC(CC1=O)C(=C)C,CC1CCC(CC1=O)C(=C)C,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3",C10H16O,,,,,,AZOCECCLWFDTAP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.861,215-246-6,1314-87-0,Lead sulphide,-,S=[Pb],S=[Pb],InChI=1/Pb.S/q+2;/rPbS/c1-2/q+2,PbS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11485,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.861,XCAUINMIESBTBL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.866,215-251-3,1314-98-3,Zinc sulphide,thioxozinc,S=[Zn],S=[Zn],InChI=1/S.Zn/rSZn/c1-2,SZn,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14809,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.866,WGPCGCOKHWGKJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.905,215-294-8,1319-88-6,"5-hydroxy-2-phenyl-1,3-dioxane","2-phenyl-1,3-dioxan-5-ol",OC1COC(OC1)c2ccccc2,OC1COC(OC1)c2ccccc2,"InChI=1/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2",C10H12O3,,,,,,BWKDAAFSXYPQOS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.908,215-297-4,1320-15-6,"Isooctyl 4-(2,4-dichlorophenoxy)butyrate","6-methylheptyl 4-(2,4-dichlorophenoxy)butanoate",CC(C)CCCCCOC(=O)CCCOc1ccc(Cl)cc1Cl,CC(C)CCCCCOC(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C18H26Cl2O3/c1-14(2)7-4-3-5-11-23-18(21)8-6-12-22-17-10-9-15(19)13-16(17)20/h9-10,13-14H,3-8,11-12H2,1-2H3",C18H26Cl2O3,,,,,,RKZULGKMTDEQNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.910,215-300-9,1320-37-2,Dichlorotetrafluoroethane,"1,2-dichloro-1,1,2,2-tetrafluoroethane",FC(F)(Cl)C(F)(F)Cl,FC(F)(Cl)C(F)(F)Cl,"InChI=1/C2Cl2F4/c3-1(5,6)2(4,7)8",C2Cl2F4,,,,,,DDMOUSALMHHKOS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.182,215-599-6,1333-61-5,Lithium hydroxyoctadecanoate,lithium 2-hydroxyoctadecanoate,[Li+].CCCCCCCCCCCCCCCCC(O)C(=O)[O-],[Li+].CCCCCCCCCCCCCCCCC(O)C(=O)[O-],"InChI=1/C18H36O3.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1",C18H36O3.Li,,,,,,LPRVNTWNHMSTPR-UHFFFAOYSA-M,,,,,,,,,,,
100.014.185,215-603-6,1333-71-7,D-glucitol trioleate,"1,2,3-tri-O-oleoyl-D-glucitol",CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@H](O)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](O)[C@H](O)CO,"InChI=1/C60H110O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-53-55(68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(59(66)54(62)52-61)69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-62,66H,4-24,31-53H2,1-3H3",C60H110O9,,,,,,AFUVUCFHJZERBF-PDKVEDEMSA-N,,,,,,,,,,,
100.014.194,215-613-0,1334-74-3,Disodium glycerol phosphate,disodium 2-hydroxy-1-(hydroxymethyl)ethyl phosphate,[Na+].[Na+].OCC(CO)OP(=O)([O-])[O-],[Na+].[Na+].OCC(CO)OP(=O)([O-])[O-],"InChI=1/C3H9O6P.2Na/c4-1-3(2-5)9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",C3H9O6P.2Na,,,,,,AVPCPPOOQICIRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.014.196,215-615-1,1334-78-7,Tolualdehyde,3-methylbenzaldehyde,Cc1cccc(C=O)c1,Cc1cccc(C=O)c1,"InChI=1/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3",C8H8O,,,,,,OVWYEQOVUDKZNU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.200,215-619-3,1335-09-7,Methylheptenol,oct-2-en-2-ol,CC(O)=CCCCCC,CC(O)=CCCCCC,"InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h7,9H,3-6H2,1-2H3",C8H16O,,,,,,DKPIPSAKYWRSNN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.201,215-620-9,1335-10-0,Phenylpropionaldehyde,hydratropaldehyde,CC(C=O)c1ccccc1,CC(C=O)c1ccccc1,"InChI=1/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3",C9H10O,,,,,,IQVAERDLDAZARL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.208,215-628-2,1335-30-4,"Silicic acid, aluminum salt",-,[Al+3].[O-][Si](=O)[O-],[Al+3].[O-][Si](=O)[O-],InChI=1/Al.O3Si/c;1-4(2)3/q+3;-2,-,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13331,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.208,AAEVBVLFNZTBGR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.212,215-632-4,1335-42-8,1-(dimethylphenyl)ethan-1-one,"1-(2,3-dimethylphenyl)ethanone",Cc1cccc(C(C)=O)c1C,Cc1cccc(C(C)=O)c1C,"InChI=1/C10H12O/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6H,1-3H3",C10H12O,,,,,,YXJIYJZHAPHBHG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.214,215-635-0,1335-46-2,"Ionone, methyl-","1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one",CCC(=O)\\C=C\\C1C(=CCCC1(C)C)C,CCC(=O)\C=C\C1C(=CCCC1(C)C)C,"InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3",C14H22O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13761,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.214,VPKMGDRERYMTJX-CMDGGOBGSA-N,,,,,,,,,,,
100.013.497,214-847-0,1199-77-5,a-methylcinnamic acid,2-methyl-3-phenylacrylic acid,C\\C(=C/c1ccccc1)\\C(=O)O,C\C(=C/c1ccccc1)\C(=O)O,"InChI=1/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)",C10H10O2,,,,,,XNCRUNXWPDJHGV-BQYQJAHWSA-N,,,,,,,,,,,
100.013.504,214-854-9,1200-73-3,"4-methyl-4-phenyl-1,3-dioxane","4-methyl-4-phenyl-1,3-dioxane",CC1(CCOCO1)c2ccccc2,CC1(CCOCO1)c2ccccc2,"InChI=1/C11H14O2/c1-11(7-8-12-9-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3",C11H14O2,,,,,,UWMUVCPSXOGVND-UHFFFAOYSA-N,,,,,,,,,,,
100.013.506,214-857-5,1201-30-5,"3,4,5-trichloro-2-(trichloromethyl)pyridine","3,4,5-trichloro-2-(trichloromethyl)pyridine",Clc1cnc(c(Cl)c1Cl)C(Cl)(Cl)Cl,Clc1cnc(c(Cl)c1Cl)C(Cl)(Cl)Cl,"InChI=1/C6HCl6N/c7-2-1-13-5(6(10,11)12)4(9)3(2)8/h1H",C6HCl6N,,,,,,YWSFDYUMEBEQNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.517,214-869-0,1203-24-3,"1-(2-chlorophenyl)-1H-pyrrole-2,5-dione","1-(2-chlorophenyl)-1H-pyrrole-2,5-dione",Clc1ccccc1N2C(=O)C=CC2=O,Clc1ccccc1N2C(=O)C=CC2=O,InChI=1/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H,C10H6ClNO2,,,,,,KPQOXMCRYWDRSB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.518,214-870-6,1203-40-3,Dioxyphthalic acid,"benzene-1,2-dicarboperoxoic acid",OOC(=O)c1ccccc1C(=O)OO,OOC(=O)c1ccccc1C(=O)OO,"InChI=1/C8H6O6/c9-7(13-11)5-3-1-2-4-6(5)8(10)14-12/h1-4,11-12H",C8H6O6,,,,,,DRZOELSSQWENBA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.527,214-880-0,1205-06-7,Ethyl 4-isothiocyanatobenzoate,ethyl 4-isothiocyanatobenzoate,CCOC(=O)c1ccc(cc1)N=C=S,CCOC(=O)c1ccc(cc1)N=C=S,"InChI=1/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3",C10H9NO2S,,,,,,MLOJHUCMCKBDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.530,214-883-7,1205-42-1,cis-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate,5-isopropenyl-2-methylcyclohex-2-en-1-yl acetate,CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,"InChI=1/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3",C12H18O2,,,,,,YTHRBOFHFYZBRJ-RYUDHWBXSA-N,,,,,,,,,,,
100.028.984,231-882-7,7774-76-7,Tin oleate,tin(4+) tetraoctadec-9-enoate,[Sn+4].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Sn+4].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/4C18H34O2.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;;+4/p-4",C18H34O2.xSn,,,,,,TUGZGUKCEOAJAG-UJUIXPSJSA-J,,,,,,,,,,,
100.028.988,231-886-9,5/05/7775,"Sodium 1,4-bis(1-isobutyl-3-methylbutyl) sulphonatosuccinate","sodium 1,4-bis(1-isobutyl-3-methylbutoxy)-1,4-dioxobutane-2-sulfonate",[Na+].CC(C)CC(CC(C)C)OC(=O)CC(C(=O)OC(CC(C)C)CC(C)C)S(=O)(=O)[O-],[Na+].CC(C)CC(CC(C)C)OC(=O)CC(C(=O)OC(CC(C)C)CC(C)C)S(=O)(=O)[O-],"InChI=1/C22H42O7S.Na/c1-14(2)9-18(10-15(3)4)28-21(23)13-20(30(25,26)27)22(24)29-19(11-16(5)6)12-17(7)8;/h14-20H,9-13H2,1-8H3,(H,25,26,27);/q;+1/p-1",C22H42O7S.Na,,,,,,JFVJDRMZGMJXCL-UHFFFAOYSA-M,,,,,,,,,,,
100.028.990,231-889-5,3/11/7775,Sodium chromate,disodium dioxido(dioxo)chromium,[Na+].[Na+].[O-][Cr](=O)(=O)[O-],[Na+].[Na+].[O-][Cr](=O)(=O)[O-],"InChI=1/Cr.2Na.4O/q;2*+1;;;2*-1/rCrO4.2Na/c2-1(3,4)5;;/q-2;2*+1",CrH2O4.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11312,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.990,PXLIDIMHPNPGMH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.752,226-126-8,5290-24-4,3-(dichloromethylsilyl)propyl acetate,3-[dichloro(methyl)silyl]propyl acetate,CC(=O)OCCC[Si](C)(Cl)Cl,CC(=O)OCCC[Si](C)(Cl)Cl,"InChI=1/C6H12Cl2O2Si/c1-6(9)10-4-3-5-11(2,7)8/h3-5H2,1-2H3",C6H12Cl2O2Si,,,,,,CNWZDXMFPRCFFL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.927,215-319-2,1321-57-9,"(1-methylethyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",2-hydroxy-2-(2-isopropoxy-2-oxoethyl)succinic acid,CC(C)OC(=O)CC(O)(CC(=O)O)C(=O)O,CC(C)OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C9H14O7/c1-5(2)16-7(12)4-9(15,8(13)14)3-6(10)11/h5,15H,3-4H2,1-2H3,(H,10,11)(H,13,14)",C9H14O7,,,,,,SKHXHUZZFVMERR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.931,215-323-4,1321-69-3,Sodium naphthalenesulphonate,sodium naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c1cccc2ccccc12,[Na+].[O-]S(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1",C10H8O3S.Na,,,,,,HIEHAIZHJZLEPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.013.939,215-332-3,1322-17-4,"Nonane-1,3-diol monoacetate",3-hydroxynonyl acetate,CCCCCCC(O)CCOC(=O)C,CCCCCCC(O)CCOC(=O)C,"InChI=1/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3",C11H22O3,,,,,,RTYFAKSWXDNPPU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.943,215-337-0,1322-34-5,Decynyl methyl carbonate,dec-1-yn-1-yl methyl carbonate,CCCCCCCCC#COC(=O)OC,CCCCCCCCC#COC(=O)OC,"InChI=1/C12H20O3/c1-3-4-5-6-7-8-9-10-11-15-12(13)14-2/h3-9H2,1-2H3",C12H20O3,,,,,,UVZYZHGKKMEGIN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.944,215-338-6,1322-36-7,Dodecanethiol,dodecane-1-thiol,CCCCCCCCCCCCS,CCCCCCCCCCCCS,"InChI=1/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",C12H26S,,,,,,WNAHIZMDSQCWRP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.950,215-344-9,1322-94-7,(dimethylcyclohexyl) hydrogen phthalate,"2-{[(1,2-dimethylcyclohexyl)oxy]carbonyl}benzoic acid",CC1CCCCC1(C)OC(=O)c2ccccc2C(=O)O,CC1CCCCC1(C)OC(=O)c2ccccc2C(=O)O,"InChI=1/C16H20O4/c1-11-7-5-6-10-16(11,2)20-15(19)13-9-4-3-8-12(13)14(17)18/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,17,18)",C16H20O4,,,,,,IBQUTAWFRDBINE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.951,215-345-4,1322-97-0,2-(octylphenoxy)ethanol,2-(2-octylphenoxy)ethanol,CCCCCCCCc1ccccc1OCCO,CCCCCCCCc1ccccc1OCCO,"InChI=1/C16H26O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17/h8-9,11-12,17H,2-7,10,13-14H2,1H3",C16H26O2,,,,,,GLDUZMNCEGHSBP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.958,215-353-8,1323-38-2,"(R)-12-hydroxyoleic acid, monoester with glycerol","2,3-dihydroxypropyl 12-hydroxyoctadec-9-enoate",CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(O)CO,CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3",C21H40O5,,,,,,HDIFHQMREAYYJW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.961,215-356-4,1323-65-5,Dinonylphenol,"2,3-dinonylphenol",CCCCCCCCCc1cccc(O)c1CCCCCCCCC,CCCCCCCCCc1cccc(O)c1CCCCCCCCC,"InChI=1/C24H42O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(25)23(22)20-16-14-12-10-8-6-4-2/h17,19,21,25H,3-16,18,20H2,1-2H3",C24H42O,,,,,,JKTAIYGNOFSMCE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.965,215-361-1,1324-02-3,"Dichlorodibenzo[def,mno]chrysene-6,12-dione","1,2-dichloronaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dione",Clc1cc2ccc3C(=O)c4cccc5ccc6C(=O)c(c1Cl)c2c3c6c45,Clc1cc2ccc3C(=O)c4cccc5ccc6C(=O)c(c1Cl)c2c3c6c45,InChI=1/C22H8Cl2O2/c23-14-8-10-5-7-12-18-16(10)19(20(14)24)22(26)13-6-4-9-2-1-3-11(21(12)25)15(9)17(13)18/h1-8H,C22H8Cl2O2,,,,,,LCTLMIPZSQBZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.435,225-778-0,5070-96-2,"3ß-hydroxy-2'-methyl-5a,16ß-5'H-pregnano[17,16-d]oxazole-11,20-dione 3-acetate","6b-acetyl-1,6a,8-trimethyl-5-oxo-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12,12a-hexadecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-yl acetate",CC1C(CCC2C1CCC3C4CC5OC(=NC5(C(=O)C)C4(C)CC(=O)C23)C)OC(=O)C,CC1C(CCC2C1CCC3C4CC5OC(=NC5(C(=O)C)C4(C)CC(=O)C23)C)OC(=O)C,"InChI=1/C25H35NO5/c1-12-16-6-7-18-19-10-22-25(13(2)27,26-14(3)30-22)24(19,5)11-20(29)23(18)17(16)8-9-21(12)31-15(4)28/h12,16-19,21-23H,6-11H2,1-5H3",C25H35NO5,,,,,,ZJWUDNPGNLKAQI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.106,216-615-4,1625-91-8,"4,4'-di-tert-butyl-1,1'-biphenyl","4,4'-di-tert-butylbiphenyl",CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(C)(C)C,CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(C)(C)C,"InChI=1/C20H26/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3",C20H26,,,,,,CDKCEZNPAYWORX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.113,216-623-8,1628-89-3,2-methoxypyridine,2-methoxypyridine,COc1ccccn1,COc1ccccn1,"InChI=1/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H3",C6H7NO,,,,,,IWTFOFMTUOBLHG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.113,223-223-7,3773-14-6,"2,4,5-trichlorothiophenol","2,4,5-trichlorobenzenethiol",Sc1cc(Cl)c(Cl)cc1Cl,Sc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H3Cl3S/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",C6H3Cl3S,,,,,,JARIALSGFXECCH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.115,223-225-8,3775-29-9,"2-methylenepropane-1,3-diyl diacetate",2-(acetoxymethyl)prop-2-en-1-yl acetate (non-preferred name),CC(=O)OCC(=C)COC(=O)C,CC(=O)OCC(=C)COC(=O)C,"InChI=1/C8H12O4/c1-6(4-11-7(2)9)5-12-8(3)10/h1,4-5H2,2-3H3",C8H12O4,,,,,,FKAKGSJLTBVQOP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.128,217-740-7,1944-01-0,1-benzylcyclohexan-1-ol,1-benzylcyclohexanol,OC1(Cc2ccccc2)CCCCC1,OC1(Cc2ccccc2)CCCCC1,"InChI=1/C13H18O/c14-13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2",C13H18O,,,,,,FELACZRZMOTSPB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.130,217-742-8,3/12/1944,5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]resorcinol hydrobromide,"5-(1-hydroxy-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)benzene-1,3-diol hydrobromide",Br.CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2,Br.CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2,"InChI=1/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H",C17H21NO4.BrH,,,,,,SGZRQMALQBXAIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.133,217-745-4,1946-00-5,"1-methyl-4-(1-methylvinyl)cyclohexane-1,2-diol","4-isopropenyl-1-methylcyclohexane-1,2-diol",CC(=C)C1CCC(C)(O)C(O)C1,CC(=C)C1CCC(C)(O)C(O)C1,"InChI=1/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3",C10H18O2,,,,,,WKZWTZTZWGWEGE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.135,217-748-0,1947-00-8,6-[[(phenylmethoxy)carbonyl]amino]hexanoic acid,6-{[(benzyloxy)carbonyl]amino}hexanoic acid,OC(=O)CCCCCNC(=O)OCc1ccccc1,OC(=O)CCCCCNC(=O)OCc1ccccc1,"InChI=1/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)",C14H19NO4,,,,,,RXQDBVWDABAAHL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.138,217-751-7,1948-31-8,N-L-alanyl-L-alanine,L-alanyl-L-alanine,C[C@H](N)C(=O)N[C@@H](C)C(=O)O,C[C@H](N)C(=O)N[C@@H](C)C(=O)O,"InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)",C6H12N2O3,,,,,,DEFJQIDDEAULHB-IMJSIDKUSA-N,Positive/Negative,ML004601,[M+H]+,HCD50,90.0547:115.0863:113.0233,MetaboLights,ML004651,[M-H]-,HCD50,159.0775:88.0405:115.0877,MetaboLights
100.016.141,217-754-3,1948-40-9,"4-hydroxy-3,5-diiodobenzaldehyde","4-hydroxy-3,5-diiodobenzaldehyde",Oc1c(I)cc(C=O)cc1I,Oc1c(I)cc(C=O)cc1I,"InChI=1/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H",C7H4I2O2,,,,,,WHLUEIMENHLCMY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.143,217-756-4,1948-71-6,N-acetyl-L-tyrosinamide,N-acetyl-L-tyrosinamide,Oc1ccc(C[C@H](N)C(=O)NC(C)=O)cc1,Oc1ccc(C[C@H](N)C(=O)NC(C)=O)cc1,"InChI=1/C11H14N2O3/c1-7(14)13-11(16)10(12)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6,12H2,1H3,(H,13,14,16)",C11H14N2O3,,,,,,UECDWMGGNAYEKF-JTQLQIEISA-N,,,,,,,,,,,
100.016.144,217-758-5,1/07/1949,"1-methyl-4-[3,3,3-tris(4-chlorophenyl)propionyl]piperazinium chloride","1-methyl-4-[3,3,3-tris(4-chlorophenyl)propanoyl]piperazin-1-ium chloride",[Cl-].C[NH+]1CCN(CC1)C(=O)CC(c2ccc(Cl)cc2)(c3ccc(Cl)cc3)c4ccc(Cl)cc4,[Cl-].C[NH+]1CCN(CC1)C(=O)CC(c2ccc(Cl)cc2)(c3ccc(Cl)cc3)c4ccc(Cl)cc4,"InChI=1/C26H25Cl3N2O.ClH/c1-30-14-16-31(17-15-30)25(32)18-26(19-2-8-22(27)9-3-19,20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21;/h2-13H,14-18H2,1H3;1H",C26H25Cl3N2O.ClH,,,,,,WAHLMMKQTIGONH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.147,217-761-1,1949-45-7,"3-acetamido-2,4,6-triiodo-5-N-methylacetamidobenzoic acid","3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid",CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)",C12H11I3N2O4,,,,,,GGGDNPWHMNJRFN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.150,217-764-8,1949-88-8,L-altrose,L-altrose,OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O,OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-AZGQCCRYSA-N,,,,,,,,,,,
100.016.151,217-765-3,1949-89-9,2-deoxy-D-galactose,2-deoxy-L-arabino-hexose,OC[C@H](O)[C@H](O)[C@@H](O)CC=O,OC[C@H](O)[C@H](O)[C@@H](O)CC=O,"InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2",C6H12O5,,,,,,VRYALKFFQXWPIH-HCWXCVPCSA-N,,,,,,,,,,,
100.016.157,217-772-1,1951-25-3,Amiodarone,"(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone",CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3,CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3,"InChI=1/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3",C25H29I2NO3,,,,,,IYIKLHRQXLHMJQ-UHFFFAOYSA-N,Positive,EQ306701|EQ306702|EQ306703|EQ306704|EQ306705|EQ306706,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,646.0308:100.1121:86.0964|58.0652:646.031:100.1121|58.0652:86.0964:72.0808|100.1121:159.044:201.0909|159.044:131.0492:192.0569|131.0492:159.0442:205.0649,Eawag,,,,,
100.013.911,215-301-4,1320-46-3,Manganese glycerophosphate,"manganese(2+) 2,3-dihydroxypropyl phosphate",[Mn+2].OCC(O)COP(=O)([O-])[O-],[Mn+2].OCC(O)COP(=O)([O-])[O-],"InChI=1/C3H9O6P.Mn/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.Mn,,,,,,CQQGLXZHXDHSJD-UHFFFAOYSA-L,,,,,,,,,,,
100.013.912,215-303-5,1320-50-9,Dimethylurea,"1,1-dimethylurea",CN(C)C(=O)N,CN(C)C(=O)N,"InChI=1/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)",C3H8N2O,,,,,,YBBLOADPFWKNGS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.387,225-725-1,5035-58-5,[(2-ethylhexanoyl)oxy]diphenylstibine,[(2-ethylhexanoyl)oxy](diphenyl)stibine,CCCCC(CC)C(=O)O[Sb](c1ccccc1)c2ccccc2,CCCCC(CC)C(=O)O[Sb](c1ccccc1)c2ccccc2,"InChI=1/C8H16O2.2C6H5.Sb/c1-3-5-6-7(4-2)8(9)10;2*1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);2*1-5H;/q;;;+1/p-1/rC20H25O2Sb/c1-3-5-12-17(4-2)20(21)22-23(18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-17H,3-5,12H2,1-2H3",C20H25O2Sb,,,,,,VDTQBQDVHSDDLY-UHFFFAOYSA-M,,,,,,,,,,,
100.023.388,225-726-7,5035-67-6,Tributyl[(2-ethylhexanoyl)oxy]stannane,tributyl[(2-ethylhexanoyl)oxy]stannane,CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C8H16O2.3C4H9.Sn/c1-3-5-6-7(4-2)8(9)10;3*1-3-4-2;/h7H,3-6H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC20H42O2Sn/c1-6-11-15-19(10-5)20(21)22-23(16-12-7-2,17-13-8-3)18-14-9-4/h19H,6-18H2,1-5H3",C20H42O2Sn,,,,,,NJBLMKDJCMZEJZ-UHFFFAOYSA-M,,,,,,,,,,,
100.023.390,225-728-8,5035-82-5,"Methyl 3,4,5-trimethoxyanthranilate","methyl 2-amino-3,4,5-trimethoxybenzoate",COC(=O)c1cc(OC)c(OC)c(OC)c1N,COC(=O)c1cc(OC)c(OC)c(OC)c1N,"InChI=1/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3",C11H15NO5,,,,,,UPVUQELOASQBMY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.393,225-731-4,5037-22-9,Cyclododecaneformylcarboxylic acid,cyclododecanecarbaldehyde,O=CC1CCCCCCCCCCC1,O=CC1CCCCCCCCCCC1,"InChI=1/C13H24O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2",C13H24O,,,,,,KIYUNVUWDQKWPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.394,225-733-5,5039-78-1,[2-(methacryloyloxy)ethyl]trimethylammonium chloride,"2-(methacryloyloxy)-N,N,N-trimethylethanaminium chloride",[Cl-].CC(=C)C(=O)OCC[N+](C)(C)C,[Cl-].CC(=C)C(=O)OCC[N+](C)(C)C,"InChI=1/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1",C9H18NO2.Cl,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14101,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.394,RRHXZLALVWBDKH-UHFFFAOYSA-M,,,,,,,,,,,
100.023.398,225-737-7,5042-55-7,"5-nitrobenzene-1,3-diamine","5-nitrobenzene-1,3-diamine",Nc1cc(N)cc(c1)[N+](=O)[O-],Nc1cc(N)cc(c1)[N+](=O)[O-],"InChI=1/C6H7N3O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,7-8H2",C6H7N3O2,,,,,,DFWXYHZQNLIBLY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.400,225-739-8,5044-23-5,"1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole","1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole",Cc1ccc(C)n1c2ccc(Cl)cc2,Cc1ccc(C)n1c2ccc(Cl)cc2,"InChI=1/C12H12ClN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3",C12H12ClN,,,,,,NNKFIFOSLJJRES-UHFFFAOYSA-N,,,,,,,,,,,
100.023.401,225-740-3,5044-52-0,Triphenylvinylphosphonium bromide,triphenyl(vinyl)phosphonium bromide,[Br-].C=C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].C=C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H18P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17H,1H2;1H/q+1;/p-1",C20H18P.Br,,,,,,VRAYVWUMBAJVGH-UHFFFAOYSA-M,,,,,,,,,,,
100.023.402,225-741-9,5045-22-7,"Disodium 4-(benzoylamino)-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-(benzoylamino)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc1cc(cc2cc(cc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cc(cc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C17H13NO8S2.2Na/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C17H13NO8S2.2Na,,,,,,XQZPJQWJZOPGJH-UHFFFAOYSA-L,,,,,,,,,,,
100.023.419,225-760-2,5058-42-4,Iron(3+) ethanolate,iron(3+) triethanolate,[Fe+3].CC[O-].CC[O-].CC[O-],[Fe+3].CC[O-].CC[O-].CC[O-],"InChI=1/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3",C2H6O.1/3Fe,,,,,,JTPUGUWXHGEEHW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.423,225-764-4,5061-21-2,2-bromo-4-butanolide,3-bromodihydrofuran-2(3H)-one,BrC1CCOC1=O,BrC1CCOC1=O,"InChI=1/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2",C4H5BrO2,,,,,,LFJJGHGXHXXDFT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.428,225-770-7,5066-34-2,Didysprosium tricarbonate,didysprosium tricarbonate,[Dy+3].[Dy+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Dy+3].[Dy+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Dy/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Dy,,,,,,QGXMZGYYAAPYRV-UHFFFAOYSA-H,,,,,,,,,,,
100.013.088,214-395-4,1124-33-0,4-nitropyridine 1-oxide,4-nitropyridine 1-oxide,[O-][N+](=O)c1cc[n+]([O-])cc1,[O-][N+](=O)c1cc[n+]([O-])cc1,InChI=1/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,C5H4N2O3,,,,,,RXKNNAKAVAHBNK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.093,214-402-0,1124-65-8,3-(2-thienyl)acrylic acid,3-(2-thienyl)acrylic acid,OC(=O)\\C=C\\c1cccs1,OC(=O)\C=C\c1cccs1,"InChI=1/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)",C7H6O2S,,,,,,KKMZQOIASVGJQE-ONEGZZNKSA-N,,,,,,,,,,,
100.013.094,214-403-6,1124-78-3,"Cyclodeca-1,5-diene","cyclodeca-1,5-diene",C1CC\\C=C/CC\\C=C/C1,C1CC\C=C/CC\C=C/C1,"InChI=1/C10H16/c1-2-4-6-8-10-9-7-5-3-1/h1-2,7,9H,3-6,8,10H2",C10H16,,,,,,RDAFFINKUCJOJK-NQOXHWNZSA-N,,,,,,,,,,,
100.013.537,214-891-0,1206-43-5,6-aminonaphthalene-1-sulphonamide,6-aminonaphthalene-1-sulfonamide,Nc1ccc2c(cccc2c1)S(=O)(=O)N,Nc1ccc2c(cccc2c1)S(=O)(=O)N,"InChI=1/C10H10N2O2S/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14/h1-6H,11H2,(H2,12,13,14)",C10H10N2O2S,,,,,,JMGDYTKDXRQHEE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.653,226-018-0,5221-42-1,N-pyridin-4-ylacetamide,N-pyridin-4-ylacetamide,CC(=O)Nc1ccncc1,CC(=O)Nc1ccncc1,"InChI=1/C7H8N2O/c1-6(10)9-7-2-4-8-5-3-7/h2-5H,1H3,(H,8,9,10)",C7H8N2O,,,,,,BIJAWQUBRNHZGE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.655,226-020-1,5221-49-8,Pyrimitate,"O-[2-(dimethylamino)-6-methylpyrimidin-4-yl] O,O-diethyl thiophosphate",CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(C)C,CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(C)C,"InChI=1/C11H20N3O3PS/c1-6-15-18(19,16-7-2)17-10-8-9(3)12-11(13-10)14(4)5/h8H,6-7H2,1-5H3",C11H20N3O3PS,,,,,,MLDVVJZNWASRQL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.658,226-023-8,5222-62-8,cis-1-(2-methylcyclohexyl)ethan-1-one,1-(2-methylcyclohexyl)ethanone,CC1CCCCC1C(=O)C,CC1CCCCC1C(=O)C,"InChI=1/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h7,9H,3-6H2,1-2H3",C9H16O,,,,,,VZELQXKHIHNPLU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.660,226-025-9,7/01/5226,"9ß,10a-cholesta-5,7-dien-3ß-ol","cholesta-5,7-dien-3-ol",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C,"InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3",C27H44O,,,,,,UCTLRSWJYQTBFZ-XMVWLVNMSA-N,,,,,,,,,,,
100.023.665,226-031-1,5234-68-4,Carboxin,"2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide",CC1=C(SCCO1)C(=O)Nc2ccccc2,CC1=C(SCCO1)C(=O)Nc2ccccc2,"InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",C12H13NO2S,,,,,,GYSSRZJIHXQEHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.667,226-033-2,5235-82-5,4-[3-(1-naphthylamino)propyl]morpholine,N-(3-morpholin-4-ylpropyl)naphthalen-1-amine,C(CNc1cccc2ccccc12)CN3CCOCC3,C(CNc1cccc2ccccc12)CN3CCOCC3,"InChI=1/C17H22N2O/c1-2-7-16-15(5-1)6-3-8-17(16)18-9-4-10-19-11-13-20-14-12-19/h1-3,5-8,18H,4,9-14H2",C17H22N2O,,,,,,AFZZFBZPHUDOLV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.668,226-034-8,5235-83-6,"N,N-dimethyl-N'-naphthylpropane-1,3-diamine","N,N-dimethyl-N'-1-naphthylpropane-1,3-diamine",CN(C)CCCNc1cccc2ccccc12,CN(C)CCCNc1cccc2ccccc12,"InChI=1/C15H20N2/c1-17(2)12-6-11-16-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16H,6,11-12H2,1-2H3",C15H20N2,,,,,,UXKSOKMNCZEVNT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.671,226-037-4,8/09/5239,"6-O-(2,3,4-tri-O-acetyl-6-deoxy-a-L-mannopyranosyl)-ß-D-glucose tetraacetate","2,3,4,5-tetra-O-acetyl-6-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-D-glucose",C[C@@H]1O[C@@H](OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C=O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C,C[C@@H]1O[C@@H](OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C=O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C,"InChI=1/C26H36O17/c1-11-21(39-14(4)30)24(42-17(7)33)25(43-18(8)34)26(36-11)35-10-20(38-13(3)29)23(41-16(6)32)22(40-15(5)31)19(9-27)37-12(2)28/h9,11,19-26H,10H2,1-8H3",C26H36O17,,,,,,OKQBJGPZGUMMEZ-BLPUGYGOSA-N,,,,,,,,,,,
100.023.674,226-041-6,5240-72-2,Bicyclo[2.2.1]heptane-2-methanol,bicyclo[2.2.1]hept-2-ylmethanol,OCC1CC2CCC1C2,OCC1CC2CCC1C2,"InChI=1/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2",C8H14O,,,,,,LWHKUVOYICRGGR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.676,226-043-7,5241-66-7,N-tert-butoxycarbonyl-D-methionine,N-(tert-butoxycarbonyl)-D-methionine,CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O,CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)",C10H19NO4S,,,,,,IMUSLIHRIYOHEV-SSDOTTSWSA-N,,,,,,,,,,,
100.023.679,226-046-3,5246-57-1,2-[(3-aminophenyl)sulphonyl]ethanol,2-[(3-aminophenyl)sulfonyl]ethanol,Nc1cccc(c1)S(=O)(=O)CCO,Nc1cccc(c1)S(=O)(=O)CCO,"InChI=1/C8H11NO3S/c9-7-2-1-3-8(6-7)13(11,12)5-4-10/h1-3,6,10H,4-5,9H2",C8H11NO3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10115,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.679,ASASRSMRAPYLQI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.681,226-048-4,5247-11-0,"3-(3-chloro-2-methylphenyl)-1-triazene-1-carbonitrile, sodium salt",-,[Na+].Cc1c(NN=NC#N)cccc1Cl,[Na+].Cc1c(NN=NC#N)cccc1Cl,"InChI=1/C8H7ClN4.Na/c1-6-7(9)3-2-4-8(6)12-13-11-5-10;/h2-4H,1H3,(H,11,12);/q;+1",C8H7ClN4.Na,,,,,,DBEOGEHXPJCXPB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.686,226-054-7,1/02/5253,a-ethyl-3-nitrocinnamic acid,2-(3-nitrobenzylidene)butanoic acid,CC\\C(=C/c1cccc(c1)[N+](=O)[O-])\\C(=O)O,CC\C(=C/c1cccc(c1)[N+](=O)[O-])\C(=O)O,"InChI=1/C11H11NO4/c1-2-9(11(13)14)6-8-4-3-5-10(7-8)12(15)16/h3-7H,2H2,1H3,(H,13,14)",C11H11NO4,,,,,,QMUHBYNLXQHZNR-RMKNXTFCSA-N,,,,,,,,,,,
100.023.696,226-065-7,5259-65-4,4-methylcyclohex-3-en-1-one,4-methylcyclohex-3-en-1-one,CC1=CCC(=O)CC1,CC1=CCC(=O)CC1,"InChI=1/C7H10O/c1-6-2-4-7(8)5-3-6/h2H,3-5H2,1H3",C7H10O,,,,,,POKCGQXKNIJLCR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.437,215-880-3,1440-61-5,4-(chloroacetyl)morpholine,4-(chloroacetyl)morpholine,ClCC(=O)N1CCOCC1,ClCC(=O)N1CCOCC1,InChI=1/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2,C6H10ClNO2,,,,,,YMQRPXBBBOXHNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.441,225-784-3,5076-19-7,Trimethyloxirane,"2,2,3-trimethyloxirane",CC1OC1(C)C,CC1OC1(C)C,"InChI=1/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3",C5H10O,,,,,,QPBYBLZYMNWGMO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.444,225-788-5,5076-82-4,"1,4-dimethylpiperazine-2,5-dione","1,4-dimethylpiperazine-2,5-dione",CN1CC(=O)N(C)CC1=O,CN1CC(=O)N(C)CC1=O,"InChI=1/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3",C6H10N2O2,,,,,,PKDGRAULLDDTRN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.447,225-791-1,5080-22-8,N-isopropylhydroxylamine,N-hydroxypropan-2-amine,CC(C)NO,CC(C)NO,"InChI=1/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3",C3H9NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12650,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.447,ODHYIQOBTIWVRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.449,225-793-2,5081-36-7,3-methoxy-4-nitrobenzoic acid,3-methoxy-4-nitrobenzoic acid,COc1cc(ccc1[N+](=O)[O-])C(=O)O,COc1cc(ccc1[N+](=O)[O-])C(=O)O,"InChI=1/C8H7NO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO5,,,,,,PWURRRRGLCVBMX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.451,225-795-3,5081-87-8,"3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione","3-(2-chloroethyl)quinazoline-2,4(1H,3H)-dione",ClCCN1C(=O)Nc2ccccc2C1=O,ClCCN1C(=O)Nc2ccccc2C1=O,"InChI=1/C10H9ClN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)",C10H9ClN2O2,,,,,,HWFSVCPXNLEACG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.454,225-799-5,5086-74-8,Tetramisole hydrochloride,"6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride",Cl.C1CN2CC(N=C2S1)c3ccccc3,Cl.C1CN2CC(N=C2S1)c3ccccc3,"InChI=1/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H",C11H12N2S.ClH,,,,,,LAZPBGZRMVRFKY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.459,225-805-6,5089-70-3,(3-chloropropyl)triethoxysilane,(3-chloropropyl)(triethoxy)silane,CCO[Si](CCCCl)(OCC)OCC,CCO[Si](CCCCl)(OCC)OCC,"InChI=1/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3",C9H21ClO3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14812,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.459,KSCAZPYHLGGNPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.462,225-808-2,5089-89-4,"3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione","1,3-dimethyl-7-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CN3CCOCC3)c2C1=O,CN1C(=O)N(C)c2ncn(CN3CCOCC3)c2C1=O,"InChI=1/C12H17N5O3/c1-14-10-9(11(18)15(2)12(14)19)17(7-13-10)8-16-3-5-20-6-4-16/h7H,3-6,8H2,1-2H3",C12H17N5O3,,,,,,HGLLQAPXHCAZBP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.470,225-817-1,5098-14-6,Aminomalononitrile p-toluenesulphonate,aminomalononitrile 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)O.NC(C#N)C#N,Cc1ccc(cc1)S(=O)(=O)O.NC(C#N)C#N,"InChI=1/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2",C7H8O3S.C3H3N3,,,,,,MEUWQVWJLLBVQI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.473,225-820-8,5101-28-0,2-phenylpyrene,2-phenylpyrene,c1ccc(cc1)c2cc3ccc4cccc5ccc(c2)c3c45,c1ccc(cc1)c2cc3ccc4cccc5ccc(c2)c3c45,InChI=1/C22H14/c1-2-5-15(6-3-1)20-13-18-11-9-16-7-4-8-17-10-12-19(14-20)22(18)21(16)17/h1-14H,C22H14,,,,,,CCIRWPQIFNLNMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.474,225-821-3,5102-79-4,"2-(diphenylacetyl)-1H-indene-1,3(2H)-dione 1-hydrazone",2-(diphenylacetyl)-3-hydrazonoindan-1-one,O=C2c1ccccc1C(=NN)C2C(=O)C(c3ccccc3)c4ccccc4,O=C2c1ccccc1C(=NN)C2C(=O)C(c3ccccc3)c4ccccc4,"InChI=1/C23H18N2O2/c24-25-21-17-13-7-8-14-18(17)22(26)20(21)23(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2",C23H18N2O2,,,,,,QBGMRRUHCFHZLC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.142,214-456-5,1130-05-8,8-hydroxyquinolinium hydrogen sulphate,8-hydroxyquinolinium hydrogen sulfate,Oc1cccc2ccc[nH+]c12.[O-]S(=O)(=O)[O-],Oc1cccc2ccc[nH+]c12.[O-]S(=O)(=O)[O-],"InChI=1/C9H7NO.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h1-6,11H;(H2,1,2,3,4)/p-1",C9H7NO.H2O4S,,,,,,MRUMAIRJPMUAPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.013.147,214-461-2,1131-09-5,Benzo[b]thiophene-3-acetic acid,1-benzothiophen-3-ylacetic acid,OC(=O)Cc1csc2ccccc12,OC(=O)Cc1csc2ccccc12,"InChI=1/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)",C10H8O2S,,,,,,VFZQJKXVHYZXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.148,214-462-8,1131-16-4,"3,5-dimethyl-1-phenyl-1H-pyrazole","3,5-dimethyl-1-phenyl-1H-pyrazole",Cc1cc(C)n(n1)c2ccccc2,Cc1cc(C)n(n1)c2ccccc2,"InChI=1/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3",C11H12N2,,,,,,ULPMPUPEFBDQQA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.149,214-463-3,1131-18-6,3-methyl-1-phenylpyrazol-5-ylamine,3-methyl-1-phenyl-1H-pyrazol-5-amine,Cc1cc(N)n(n1)c2ccccc2,Cc1cc(N)n(n1)c2ccccc2,"InChI=1/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3",C10H11N3,,,,,,FMKMKBLHMONXJM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.151,214-465-4,1131-60-8,4-cyclohexylphenol,4-cyclohexylphenol,Oc1ccc(cc1)C2CCCCC2,Oc1ccc(cc1)C2CCCCC2,"InChI=1/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2",C12H16O,,,,,,OAHMVZYHIJQTQC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.156,214-471-7,1131-68-6,Quinoline-2-carbaldehyde oxime,quinoline-2-carbaldehyde oxime,ON=Cc1ccc2ccccc2n1,ON=Cc1ccc2ccccc2n1,"InChI=1/C10H8N2O/c13-11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-7,13H",C10H8N2O,,,,,,BOHDZKSQXXJHBO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.976,219-773-2,2528-38-3,Tripentyl phosphate,tripentyl phosphate,CCCCCOP(=O)(OCCCCC)OCCCCC,CCCCCOP(=O)(OCCCCC)OCCCCC,"InChI=1/C15H33O4P/c1-4-7-10-13-17-20(16,18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3",C15H33O4P,,,,,,QJAVUVZBMMXBRO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.977,219-774-8,2528-39-4,Trihexyl phosphate,trihexyl phosphate,CCCCCCOP(=O)(OCCCCCC)OCCCCCC,CCCCCCOP(=O)(OCCCCCC)OCCCCCC,"InChI=1/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3",C18H39O4P,,,,,,SFENPMLASUEABX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.982,219-780-0,2530-30-5,Tetradecylsuccinic acid,tetrakis(decyl)succinic acid,CCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)C(CCCCCCCCCC)(CCCCCCCCCC)C(=O)O,CCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)C(CCCCCCCCCC)(CCCCCCCCCC)C(=O)O,"InChI=1/C44H86O4/c1-5-9-13-17-21-25-29-33-37-43(41(45)46,38-34-30-26-22-18-14-10-6-2)44(42(47)48,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3,(H,45,46)(H,47,48)",C18H34O4,,,,,,KLGRPGCTEKKHNM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.984,219-782-1,2530-32-7,Octylsuccinic acid,2-octylsuccinic acid,CCCCCCCCC(CC(=O)O)C(=O)O,CCCCCCCCC(CC(=O)O)C(=O)O,"InChI=1/C12H22O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h10H,2-9H2,1H3,(H,13,14)(H,15,16)",C12H22O4,,,,,,FPOGSOBFOIGXPR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.985,219-783-7,2530-33-8,Decyl hydrogen succinate,4-(decyloxy)-4-oxobutanoic acid,CCCCCCCCCCOC(=O)CCC(=O)O,CCCCCCCCCCOC(=O)CCC(=O)O,"InChI=1/C14H26O4/c1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16/h2-12H2,1H3,(H,15,16)",C14H26O4,,,,,,SJILKDPNOANEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.987,219-785-8,2530-85-0,3-trimethoxysilylpropyl methacrylate,3-(trimethoxysilyl)propyl methacrylate,CO[Si](CCCOC(=O)C(=C)C)(OC)OC,CO[Si](CCCOC(=O)C(=C)C)(OC)OC,"InChI=1/C10H20O5Si/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h1,6-8H2,2-5H3",C10H20O5Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15277,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.987,XDLMVUHYZWKMMD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.991,219-790-5,2531-75-1,"Calcium N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinate (1:1)",-,[CaH2].OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-])CC(=O)O,[CaH2].OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-])CC(=O)O,"InChI=1/C14H23N3O10.Ca.2H/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;/q;+2;;/p-1/rC14H23N3O10.CaH2/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);1H2/q;+2/p-1",C14H23N3O10.Ca,,,,,,YJNRRITYGACCNV-UHFFFAOYSA-M,,,,,,,,,,,
100.017.992,219-791-0,2531-84-2,2-methylphenanthrene,2-methylphenanthrene,Cc1ccc2c(ccc3ccccc23)c1,Cc1ccc2c(ccc3ccccc23)c1,"InChI=1/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3",C15H12,,,,,,KANLOADZXMMCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.500,221-450-6,3/08/3097,Magnesium dodecylsulfate,magnesium bis(dodecyl sulfate),CCCCCCCCCCCCOS(=O)(=O)O[Mg]OS(=O)(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOS(=O)(=O)O[Mg]OS(=O)(=O)OCCCCCCCCCCCC,"InChI=1/2C12H26O4S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2/rC24H50MgO8S2/c1-3-5-7-9-11-13-15-17-19-21-23-30-34(26,27)32-25-33-35(28,29)31-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C12H26O4S.1/2Mg,,,,,,HBNDBUATLJAUQM-UHFFFAOYSA-L,,,,,,,,,,,
100.019.504,221-454-8,3102-00-9,Febuprol,1-butoxy-3-phenoxypropan-2-ol,CCCCOCC(O)COc1ccccc1,CCCCOCC(O)COc1ccccc1,"InChI=1/C13H20O3/c1-2-3-9-15-10-12(14)11-16-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3",C13H20O3,,,,,,WBLXZPHICYCDGN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.505,221-455-3,7/08/3102,(S)-2-acetamido-3-(p-hydroxyphenyl)-N-(p-nitrophenyl)propionamide,Nalpha-acetyl-N-(4-nitrophenyl)-L-tyrosinamide,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C17H17N3O5/c1-11(21)18-16(10-12-2-8-15(22)9-3-12)17(23)19-13-4-6-14(7-5-13)20(24)25/h2-9,16,22H,10H2,1H3,(H,18,21)(H,19,23)",C17H17N3O5,,,,,,QATYPERFLZVAKG-INIZCTEOSA-N,,,,,,,,,,,
100.019.507,221-457-4,3102-87-2,"2,3,5,6-tetramethyl-p-phenylenediamine","2,3,5,6-tetramethylbenzene-1,4-diamine",Cc1c(C)c(N)c(C)c(C)c1N,Cc1c(C)c(N)c(C)c(C)c1N,"InChI=1/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3",C10H16N2,,,,,,WCZNKVPCIFMXEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.510,221-461-6,3105-55-3,Sodium hydrogen maleate,sodium hydrogen but-2-enedioate,[Na+].[O-]C(=O)\\C=C/C(=O)[O-],[Na+].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-2",C4H4O4.Na,,,,,,VRVKOZSIJXBAJG-ODZAUARKSA-L,,,,,,,,,,,
100.019.514,221-465-8,3107-18-4,Potassium undecafluorocyclohexanesulphonate,potassium undecafluorocyclohexanesulfonate,[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C6HF11O3S.K/c7-1(8)2(9,10)4(13,14)6(17,21(18,19)20)5(15,16)3(1,11)12;/h(H,18,19,20);/q;+1/p-1",C6HF11O3S.K,,,,,,IVGHATFHZBKRKP-UHFFFAOYSA-M,,,,,,,,,,,
100.013.099,214-408-3,1125-60-6,Isoquinol-5-ylamine,isoquinolin-5-amine,Nc1cccc2cnccc12,Nc1cccc2cnccc12,"InChI=1/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2",C9H8N2,,,,,,DTVYNUOOZIKEEX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.101,214-410-4,1125-78-6,"5,6,7,8-tetrahydro-2-naphthol","5,6,7,8-tetrahydronaphthalen-2-ol",Oc1ccc2CCCCc2c1,Oc1ccc2CCCCc2c1,"InChI=1/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2",C10H12O,,,,,,UMKXSOXZAXIOPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.103,214-413-0,1125-88-8,"Alpha,alpha-dimethoxytoluene",(dimethoxymethyl)benzene,COC(OC)c1ccccc1,COC(OC)c1ccccc1,"InChI=1/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3",C9H12O2,,,,,,HEVMDQBCAHEHDY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.110,214-420-9,1126-46-1,Methyl 4-chlorobenzoate,methyl 4-chlorobenzoate,COC(=O)c1ccc(Cl)cc1,COC(=O)c1ccc(Cl)cc1,"InChI=1/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3",C8H7ClO2,,,,,,LXNFVVDCCWUUKC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.111,214-421-4,1126-58-5,1-(hydrazinocarbonylmethyl)pyridinium chloride,1-(2-hydrazino-2-oxoethyl)pyridinium chloride,[Cl-].NNC(=O)C[n+]1ccccc1,[Cl-].NNC(=O)C[n+]1ccccc1,"InChI=1/C7H9N3O.ClH/c8-9-7(11)6-10-4-2-1-3-5-10;/h1-5H,6,8H2;1H",C7H10N3O.Cl,,,,,,NDXLVXDHVHWYFR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.124,214-436-6,1128-28-5,4-amino-2-isopropyl-5-methylphenol,4-amino-2-isopropyl-5-methylphenol,CC(C)c1cc(N)c(C)cc1O,CC(C)c1cc(N)c(C)cc1O,"InChI=1/C10H15NO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,11H2,1-3H3",C10H15NO,,,,,,RGRUKJFIPJHWNL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.126,214-438-7,1128-54-7,3-methyl-1-phenyl-1H-pyrazole,3-methyl-1-phenyl-1H-pyrazole,Cc1ccn(n1)c2ccccc2,Cc1ccn(n1)c2ccccc2,"InChI=1/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3",C10H10N2,,,,,,RJXLUGSJEMSDPK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.129,214-441-3,1128-76-3,Ethyl 3-chlorobenzoate,ethyl 3-chlorobenzoate,CCOC(=O)c1cccc(Cl)c1,CCOC(=O)c1cccc(Cl)c1,"InChI=1/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",C9H9ClO2,,,,,,LVFRSNCBCHABAM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.131,214-443-4,1129-35-7,Methyl 4-cyanobenzoate,methyl 4-cyanobenzoate,COC(=O)c1ccc(cc1)C#N,COC(=O)c1ccc(cc1)C#N,"InChI=1/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3",C9H7NO2,,,,,,KKZMIDYKRKGJHG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.133,214-446-0,1129-41-5,m-tolyl methylcarbamate,3-methylphenyl methylcarbamate,CNC(=O)Oc1cccc(C)c1,CNC(=O)Oc1cccc(C)c1,"InChI=1/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)",C9H11NO2,,,,,,VOEYXMAFNDNNED-UHFFFAOYSA-N,,,,,,,,,,,
100.013.136,214-449-7,1129-50-6,Butyranilide,N-phenylbutanamide,CCCC(=O)Nc1ccccc1,CCCC(=O)Nc1ccccc1,"InChI=1/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,11,12)",C10H13NO,,,,,,UHANVDZCDNSILX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.965,231-861-2,7766-38-3,N-(4-nitrophenyl)acrylamide,N-(4-nitrophenyl)acrylamide,[O-][N+](=O)c1ccc(NC(=O)C=C)cc1,[O-][N+](=O)c1ccc(NC(=O)C=C)cc1,"InChI=1/C9H8N2O3/c1-2-9(12)10-7-3-5-8(6-4-7)11(13)14/h2-6H,1H2,(H,10,12)",C9H8N2O3,,,,,,DFKKBOJXPCXEGX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.977,231-874-3,7774-44-9,Cyclohexyl isovalerate,cyclohexyl 3-methylbutanoate,CC(C)CC(=O)OC1CCCCC1,CC(C)CC(=O)OC1CCCCC1,"InChI=1/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,SQPOKBBCNZIWFI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.980,231-878-5,7774-65-4,1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl 2-methylpropanoate,CC(C)C(=O)OC(C)(C)C1CCC(=CC1)C,CC(C)C(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3",C14H24O2,,,,,,SMQUXKIIXFOJKI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.982,231-880-6,7774-73-4,Thiophene-3-thiol,thiophene-3-thiol,Sc1ccsc1,Sc1ccsc1,"InChI=1/C4H4S2/c5-4-1-2-6-3-4/h1-3,5H",C4H4S2,,,,,,VSGXHZUTTFLSBC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.993,231-892-1,7775-27-1,Disodium peroxodisulphate,disodium [(sulfonatoperoxy)sulfonyl]oxidanide,[Na+].[Na+].[O-]S(=O)(=O)OOS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)OOS(=O)(=O)[O-],"InChI=1/2Na.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",H2O8S2.2Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14767,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.993,CHQMHPLRPQMAMX-UHFFFAOYSA-L,,,,,,,,,,,
100.028.997,231-896-3,7775-50-0,"Trioctadecyl 2-hydroxypropane-1,2,3-tricarboxylate",trioctadecyl citrate,CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C60H116O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-65-57(61)55-60(64,59(63)67-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-58(62)66-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h64H,4-56H2,1-3H3",C60H116O7,,,,,,UKBHVNMEMHTWQO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.999,231-898-4,7776-34-3,L-proline hydrochloride,L-proline hydrochloride,Cl.OC(=O)[C@@H]1CCCN1,Cl.OC(=O)[C@@H]1CCCN1,"InChI=1/C5H9NO2.ClH/c7-5(8)4-2-1-3-6-4;/h4,6H,1-3H2,(H,7,8);1H",C5H9NO2.ClH,,,,,,UAGFTQCWTTYZKO-WCCKRBBISA-N,,,,,,,,,,,
100.014.442,215-886-6,1444-05-9,Diethyl bis(2-cyanoethyl)malonate,diethyl bis(2-cyanoethyl)malonate,CCOC(=O)C(CCC#N)(CCC#N)C(=O)OCC,CCOC(=O)C(CCC#N)(CCC#N)C(=O)OCC,"InChI=1/C13H18N2O4/c1-3-18-11(16)13(7-5-9-14,8-6-10-15)12(17)19-4-2/h3-8H2,1-2H3",C13H18N2O4,,,,,,KAESGTBHXNCAHO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.450,215-895-5,1445-73-4,1-methyl-4-piperidone,1-methylpiperidin-4-one,CN1CCC(=O)CC1,CN1CCC(=O)CC1,"InChI=1/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3",C6H11NO,,,,,,HUUPVABNAQUEJW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.452,215-897-6,1445-79-0,Trimethylgallium,trimethylgallium,C[Ga](C)C,C[Ga](C)C,InChI=1/3CH3.Ga/h3*1H3;/rC3H9Ga/c1-4(2)3/h1-3H3,C3H9Ga,,,,,,XCZXGTMEAKBVPV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.454,215-899-7,1446-61-3,Dehydroabietylamine,"abieta-8(14),9(11),12-trien-18-amine",CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1)CN,CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1)CN,"InChI=1/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3",C20H31N,,,,,,JVVXZOOGOGPDRZ-SLFFLAALSA-N,,,,,,,,,,,
100.014.455,215-900-0,1447-13-8,"Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate","methyl 2,2-dichloro-1-methylcyclopropanecarboxylate",COC(=O)C1(C)CC1(Cl)Cl,COC(=O)C1(C)CC1(Cl)Cl,"InChI=1/C6H8Cl2O2/c1-5(4(9)10-2)3-6(5,7)8/h3H2,1-2H3",C6H8Cl2O2,,,,,,JGCAZFUFORGMFB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.456,215-901-6,1447-14-9,"2,2-dichloro-1-methylcyclopropanecarboxylic acid","2,2-dichloro-1-methylcyclopropanecarboxylic acid",CC1(CC1(Cl)Cl)C(=O)O,CC1(CC1(Cl)Cl)C(=O)O,"InChI=1/C5H6Cl2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)",C5H6Cl2O2,,,,,,BIUUWIKPBYWKEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.458,215-903-7,1448-36-8,Methyl cholate,"methyl 3,7,12-trihydroxycholan-24-oate",COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3",C25H42O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6376,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.458,DLYVTEULDNMQAR-SRNOMOOLSA-N,,,,,,,,,,,
100.014.464,215-910-5,1449-55-4,Tetracyclohexylstannane,tetracyclohexylstannane,C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4,C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4,"InChI=1/4C6H11.Sn/c4*1-2-4-6-5-3-1;/h4*1H,2-6H2;/rC24H44Sn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24H,1-20H2",C24H44Sn,,,,,,JUISPCSEIXBMNI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.465,215-911-0,1450-14-2,Hexamethyldisilane,hexamethyldisilane,C[Si](C)(C)[Si](C)(C)C,C[Si](C)(C)[Si](C)(C)C,"InChI=1/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3",C6H18Si2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7340,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.465,NEXSMEBSBIABKL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.469,215-915-2,1450-72-2,2-hydroxy-5-methylacetophenone,1-(2-hydroxy-5-methylphenyl)ethanone,CC(=O)c1cc(C)ccc1O,CC(=O)c1cc(C)ccc1O,"InChI=1/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3",C9H10O2,,,,,,YNPDFBFVMJNGKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.474,215-921-5,1452-77-3,Pyridine-2-carboxamide,pyridine-2-carboxamide,NC(=O)c1ccccn1,NC(=O)c1ccccn1,"InChI=1/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)",C6H6N2O,,,,,,IBBMAWULFFBRKK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.479,215-926-2,1453-82-3,Isonicotinamide,isonicotinamide,NC(=O)c1ccncc1,NC(=O)c1ccncc1,"InChI=1/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)",C6H6N2O,,,,,,VFQXVTODMYMSMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.481,215-928-3,1454-12-2,"2-(ß,ß-diethoxycarbonylphenethyl)pyridinium chloride",2-[3-ethoxy-2-(ethoxycarbonyl)-3-oxo-2-phenylpropyl]pyridinium chloride,[Cl-].CCOC(=O)C(Cc1cccc[nH+]1)(C(=O)OCC)c2ccccc2,[Cl-].CCOC(=O)C(Cc1cccc[nH+]1)(C(=O)OCC)c2ccccc2,"InChI=1/C19H21NO4.ClH/c1-3-23-17(21)19(18(22)24-4-2,15-10-6-5-7-11-15)14-16-12-8-9-13-20-16;/h5-13H,3-4,14H2,1-2H3;1H",C19H21NO4.ClH,,,,,,WFPAMNMQXMJMLB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.483,215-930-4,1454-84-8,Nonadecan-1-ol,nonadecan-1-ol,CCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCO,"InChI=1/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3",C19H40O,,,,,,XGFDHKJUZCCPKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.219,215-640-8,1335-86-0,Methylcyclohexene,1-methylcyclohexene,CC1=CCCCC1,CC1=CCCCC1,"InChI=1/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3",C7H12,,,,,,CTMHWPIWNRWQEG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.220,215-641-3,1335-87-1,Hexachloronaphthalene,"1,2,3,4,5,6-hexachloronaphthalene",Clc1ccc2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl,Clc1ccc2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl,InChI=1/C10H2Cl6/c11-4-2-1-3-5(7(4)13)8(14)10(16)9(15)6(3)12/h1-2H,C10H2Cl6,,,,,,CTLMCQOGOWNFHA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.221,215-642-9,1335-88-2,Tetrachloronaphthalene,"1,2,3,4-tetrachloronaphthalene",Clc1c(Cl)c(Cl)c2ccccc2c1Cl,Clc1c(Cl)c(Cl)c2ccccc2c1Cl,InChI=1/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H,C10H4Cl4,,,,,,NAQWICRLNQSPPW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.225,215-647-6,1336-21-6,"Ammonia, aqueous solution",ammonium hydroxide,[NH4+].[OH-],[NH4+].[OH-],InChI=1/H3N.H2O/h1H3;1H2,H5NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7510,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.225,VHUUQVKOLVNVRT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.158,214-473-8,1132-21-4,"3,5-dimethoxybenzoic acid","3,5-dimethoxybenzoic acid",COc1cc(OC)cc(c1)C(=O)O,COc1cc(OC)cc(c1)C(=O)O,"InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)",C9H10O4,,,,,,IWPZKOJSYQZABD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.161,214-476-4,1132-60-1,Piperidine-1-propanesulphonic acid,3-piperidin-1-ylpropane-1-sulfonic acid,OS(=O)(=O)CCCN1CCCCC1,OS(=O)(=O)CCCN1CCCCC1,"InChI=1/C8H17NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-8H2,(H,10,11,12)",C8H17NO3S,,,,,,ALDBKVFJKDDXNP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.162,214-478-5,1132-61-2,4-morpholinopropanesulphonic acid,3-morpholin-4-ylpropane-1-sulfonic acid,OS(=O)(=O)CCCN1CCOCC1,OS(=O)(=O)CCCN1CCOCC1,"InChI=1/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)",C7H15NO4S,,,,,,DVLFYONBTKHTER-UHFFFAOYSA-N,,,,,,,,,,,
100.013.163,214-479-0,1133-57-9,"1,2,3,5-tetrachloro-4,6-bis(chloromethyl)benzene","1,2,3,5-tetrachloro-4,6-bis(chloromethyl)benzene",ClCc1c(Cl)c(Cl)c(Cl)c(CCl)c1Cl,ClCc1c(Cl)c(Cl)c(Cl)c(CCl)c1Cl,InChI=1/C8H4Cl6/c9-1-3-5(11)4(2-10)7(13)8(14)6(3)12/h1-2H2,C8H4Cl6,,,,,,YDNRGDROSRCQRU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.175,214-492-1,1135-40-6,3-cyclohexylaminopropane-1-sulphonic acid,3-(cyclohexylamino)propane-1-sulfonic acid,OS(=O)(=O)CCCNC1CCCCC1,OS(=O)(=O)CCCNC1CCCCC1,"InChI=1/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)",C9H19NO3S,,,,,,PJWWRFATQTVXHA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.179,214-496-3,1135-99-5,Dichlorodiphenylstannane,dichloro(diphenyl)stannane,Cl[Sn](Cl)(c1ccccc1)c2ccccc2,Cl[Sn](Cl)(c1ccccc1)c2ccccc2,"InChI=1/2C6H5.2ClH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2/rC12H10Cl2Sn/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10Cl2Sn,,,,,,ISXUHJXWYNONDI-UHFFFAOYSA-L,,,,,,,,,,,
100.013.180,214-497-9,1136-45-4,5-methyl-3-phenylisoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylic acid,Cc1onc(c2ccccc2)c1C(=O)O,Cc1onc(c2ccccc2)c1C(=O)O,"InChI=1/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)",C11H9NO3,,,,,,PENHKTNQUJMHIR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.181,214-498-4,1136-52-3,"2,2,8-trimethyl-4H-1,3-dioxino[4,5-c]pyridine-5-methanol","(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol",Cc1ncc(CO)c2COC(C)(C)Oc12,Cc1ncc(CO)c2COC(C)(C)Oc12,"InChI=1/C11H15NO3/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10/h4,13H,5-6H2,1-3H3",C11H15NO3,,,,,,CZFIJMPIIQHVJD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.189,214-508-7,1137-68-4,2-(2-pyridyl)benzimidazole,2-pyridin-2-yl-1H-benzimidazole,c1ccc(nc1)c2nc3ccccc3[nH]2,c1ccc(nc1)c2nc3ccccc3[nH]2,"InChI=1/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)",C12H9N3,,,,,,YNFBMDWHEHETJW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.766,226-142-5,5296-64-0,(allylthio)benzene,(allylsulfanyl)benzene,C=CCSc1ccccc1,C=CCSc1ccccc1,"InChI=1/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2",C9H10S,,,,,,QGNRLAFFKKBSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.767,226-143-0,2/05/5297,"3ß-[[2,6-dideoxy-4-O-(2,6-dideoxy-ß-D-ribo-hexopyranosyl)-ß-D\-ribo-hexopyranosyl]oxy]-12ß,14-dihydroxy-5ß-card-20(22)-enolide","3-{[2,6-dideoxy-4-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",CC1OC(CC(O)C1O)OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C6(C)C(CCC56O)C7=CC(=O)OC7)C3)OC2C,CC1OC(CC(O)C1O)OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C6(C)C(CCC56O)C7=CC(=O)OC7)C3)OC2C,"InChI=1/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3",C35H54O11,,,,,,NTSBMKIZRSBFTA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.768,226-144-6,9/10/5297,"Cardanolide, 3-[(O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3ß,5ß,12ß)-","3-{[2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycardanolide",CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8COC(=O)C8)C4)OC3C)OC2C,CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8COC(=O)C8)C4)OC3C)OC2C,"InChI=1/C41H66O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h19-31,33-38,42-45,47-48H,6-18H2,1-5H3",C41H66O14,,,,,,QYVJGQUFXQMOOE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.769,226-145-1,5298-13-5,"(E,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one","4-but-2-en-1-ylidene-3,5,5-trimethylcyclohex-2-en-1-one",CC1(C)CC(=O)\\C=C(\\C)C1=CC=CC,CC1(C)CC(=O)\C=C(\C)C1=CC=CC,"InChI=1/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3",C13H18O,,,,,,CBQXHTWJSZXYSK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.770,226-146-7,5298-71-5,"6,7-dihydro-5,8-dimethyl-dibenzo[b,j][1,10]phenanthroline","5,8-dimethyl-6,7-dihydrodibenzo[b,j][1,10]phenanthroline",Cc1c2CCc3c(C)c4ccccc4nc3c2nc5ccccc15,Cc1c2CCc3c(C)c4ccccc4nc3c2nc5ccccc15,"InChI=1/C22H18N2/c1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21/h3-10H,11-12H2,1-2H3",C22H18N2,,,,,,RWOUETIZGZHNKY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.518,221-470-5,3108-42-7,Ammonium nonadecafluorodecanoate,ammonium nonadecafluorodecanoate,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10HF19O2.H3N/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29;/h(H,30,31);1H3",C10HF19O2.H3N,,,,,,CQLZEWXXRJJDKG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.528,218-180-6,2065-70-5,"2,6-dichloronaphthalene","2,6-dichloronaphthalene",Clc1ccc2cc(Cl)ccc2c1,Clc1ccc2cc(Cl)ccc2c1,InChI=1/C10H6Cl2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6H,C10H6Cl2,,,,,,YCFUHBHONRJFHI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.529,218-181-1,2065-73-8,Oxalic [2H]acid,oxalic acid,OC(=O)C(=O)O,OC(=O)C(=O)O,"InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",C2D2O4,,,,,,MUBZPKHOEPUJKR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.531,218-183-2,2066-89-9,Pasiniazid,4-amino-2-hydroxybenzoic acid - isonicotinohydrazide (1:1),NNC(=O)c1ccncc1.Nc2ccc(C(=O)O)c(O)c2,NNC(=O)c1ccncc1.Nc2ccc(C(=O)O)c(O)c2,"InChI=1/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-4;7-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11);1-4H,7H2,(H,9,10)",C7H7NO3.C6H7N3O,,,,,,RKPHTRVPGYGVQD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.533,218-185-3,2067-33-6,5-bromovaleric acid,5-bromopentanoic acid,OC(=O)CCCCBr,OC(=O)CCCCBr,"InChI=1/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)",C5H9BrO2,,,,,,WNXNUPJZWYOKMW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.540,218-193-7,2069-41-2,4-bromo-4'-fluorobenzophenone,(4-bromophenyl)(4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)c2ccc(Br)cc2,Fc1ccc(cc1)C(=O)c2ccc(Br)cc2,InChI=1/C13H8BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,C13H8BrFO,,,,,,SSXSFTBOKUQUAX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.541,218-194-2,2071-20-7,Methylenebis[diphenylphosphine],methylenebis(diphenylphosphine),C(P(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,C(P(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,"InChI=1/C25H22P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2",C25H22P2,,,,,,XGCDBGRZEKYHNV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.552,218-207-1,2079-78-9,Hexamethonium tartrate,"N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium bis(3-carboxy-2,3-dihydroxypropanoate)",C[N+](C)(C)CCCCCC[N+](C)(C)C.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O,C[N+](C)(C)CCCCCC[N+](C)(C)C.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O,"InChI=1/C12H30N2.2C4H6O6/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*5-1(3(7)8)2(6)4(9)10/h7-12H2,1-6H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2",C12H30N2.2C4H5O6,,,,,,FBKYPSXTNBQAJW-WBPXWQEISA-L,,,,,,,,,,,
100.016.559,218-215-5,2082-77-1,Undecanoic anhydride,undecanoic anhydride,CCCCCCCCCCC(=O)OC(=O)CCCCCCCCCC,CCCCCCCCCCC(=O)OC(=O)CCCCCCCCCC,"InChI=1/C22H42O3/c1-3-5-7-9-11-13-15-17-19-21(23)25-22(24)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",C22H42O3,,,,,,DGJTZXXNXZVULP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.561,218-217-6,2082-80-6,Trioctadecyl phosphite,trioctadecyl phosphite,CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3",C54H111O3P,,,,,,CNUJLMSKURPSHE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.565,218-221-8,2083-32-1,"2,5-dihydro-3-(4-methyl-3-penten-1-yl)thiophene 1,1-dioxide","3-(4-methylpent-3-en-1-yl)-2,5-dihydrothiophene 1,1-dioxide",CC(=CCCC1=CCS(=O)(=O)C1)C,CC(=CCCC1=CCS(=O)(=O)C1)C,"InChI=1/C10H16O2S/c1-9(2)4-3-5-10-6-7-13(11,12)8-10/h4,6H,3,5,7-8H2,1-2H3",C10H16O2S,,,,,,NKPPFFZEYUIUAH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.567,218-223-9,2084-18-6,3-methylbutane-2-thiol,3-methylbutane-2-thiol,CC(C)C(C)S,CC(C)C(C)S,"InChI=1/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3",C5H12S,,,,,,BFLXFRNPNMTTAA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.575,218-232-8,2088-71-3,Testosterone benzoate,3-oxoandrost-4-en-17-yl benzoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5,"InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3",C26H32O3,,,,,,RZJSCADWIWNGKI-IXKNJLPQSA-N,,,,,,,,,,,
100.016.578,218-235-4,3/05/2090,Calcium dibenzoate,calcium dibenzoate,[Ca+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Ca+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Ca,,,,,,NSQPPSOSXWOZNH-UHFFFAOYSA-L,,,,,,,,,,,
100.015.115,216-625-9,1629-60-3,Hex-1-en-3-one,hex-1-en-3-one,CCCC(=O)C=C,CCCC(=O)C=C,"InChI=1/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3",C6H10O,,,,,,JTHNLKXLWOXOQK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.120,216-631-1,1631-26-1,"1-benzyl-1H-pyrrole-2,5-dione","1-benzyl-1H-pyrrole-2,5-dione",O=C1C=CC(=O)N1Cc2ccccc2,O=C1C=CC(=O)N1Cc2ccccc2,"InChI=1/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2",C11H9NO2,,,,,,MKRBAPNEJMFMHU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.123,216-634-8,1631-83-0,Chloro(diphenyl)silane,chloro(diphenyl)silane,Cl[SiH](c1ccccc1)c2ccccc2,Cl[SiH](c1ccccc1)c2ccccc2,"InChI=1/C12H11ClSi/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H",C12H11ClSi,,,,,,VTMOWGGHUAZESJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.753,226-127-3,5290-25-5,3-(trichlorosilyl)propyl acetate,3-(trichlorosilyl)propyl acetate,CC(=O)OCCC[Si](Cl)(Cl)Cl,CC(=O)OCCC[Si](Cl)(Cl)Cl,"InChI=1/C5H9Cl3O2Si/c1-5(9)10-3-2-4-11(6,7)8/h2-4H2,1H3",C5H9Cl3O2Si,,,,,,VAZGKQJHXXBSSK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.761,226-136-2,5292-51-3,"Dimethyl 2,5-difluoroterephthalate","dimethyl 2,5-difluoroterephthalate",COC(=O)c1cc(F)c(cc1F)C(=O)OC,COC(=O)c1cc(F)c(cc1F)C(=O)OC,"InChI=1/C10H8F2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3",C10H8F2O4,,,,,,YQOQOCUGIYCMRF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.764,226-139-9,5293-84-5,(chloromethyl)triphenylphosphonium chloride,(chloromethyl)(triphenyl)phosphonium chloride,[Cl-].ClC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].ClC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H17ClP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1",C19H17ClP.Cl,,,,,,SXYFAZGVNNYGJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.013.914,215-305-6,1320-66-7,Chlorobutanol,"1,1,1-trichloro-2-methylpropan-2-ol",CC(C)(O)C(Cl)(Cl)Cl,CC(C)(O)C(Cl)(Cl)Cl,"InChI=1/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",C4H9ClO,,,,,,OSASVXMJTNOKOY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.915,215-306-1,1320-67-8,Methoxypropanol,1-methoxypropan-1-ol,CCC(O)OC,CCC(O)OC,"InChI=1/C4H10O2/c1-3-4(5)6-2/h4-5H,3H2,1-2H3",C4H10O2,,,,,,LHENQXAPVKABON-UHFFFAOYSA-N,,,,,,,,,,,
100.013.917,215-308-2,1320-80-5,Chloro(hydroxyphenyl)mercury,chloro(2-hydroxyphenyl)mercury,Oc1ccccc1[Hg]Cl,Oc1ccccc1[Hg]Cl,"InChI=1/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1/rC6H5ClHgO/c7-8-5-3-1-2-4-6(5)9/h1-4,9H",C6H5ClHgO,,,,,,GABVDWALKPAUEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.013.921,215-312-4,1321-13-7,Potassium aminobenzoate,potassium 2-aminobenzoate,[K+].Nc1ccccc1C(=O)[O-],[K+].Nc1ccccc1C(=O)[O-],"InChI=1/C7H7NO2.K/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",C7H7NO2.K,,,,,,VLSHYHUKASKGPF-UHFFFAOYSA-M,,,,,,,,,,,
100.013.923,215-315-0,1321-16-0,Cyclohexenecarbaldehyde,cyclohex-1-ene-1-carbaldehyde,O=CC1=CCCCC1,O=CC1=CCCCC1,"InChI=1/C7H10O/c8-6-7-4-2-1-3-5-7/h4,6H,1-3,5H2",C7H10O,,,,,,OANSOJSBHVENEI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.925,215-317-1,1321-28-4,Dimethylhydroquinone,"2,3-dimethylbenzene-1,4-diol",Cc1c(C)c(O)ccc1O,Cc1c(C)c(O)ccc1O,"InChI=1/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,9-10H,1-2H3",C8H10O2,,,,,,BXJGUBZTZWCMEX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.928,215-320-8,1321-64-8,Pentachloronaphthalene,"1,2,3,4,5-pentachloronaphthalene",Clc1cccc2c(Cl)c(Cl)c(Cl)c(Cl)c12,Clc1cccc2c(Cl)c(Cl)c(Cl)c(Cl)c12,InChI=1/C10H3Cl5/c11-5-3-1-2-4-6(5)8(13)10(15)9(14)7(4)12/h1-3H,C10H3Cl5,,,,,,JRZKNHITLINYHV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.929,215-321-3,1321-65-9,Trichloronaphthalene,"1,2,3-trichloronaphthalene",Clc1cc2ccccc2c(Cl)c1Cl,Clc1cc2ccccc2c(Cl)c1Cl,InChI=1/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H,C10H5Cl3,,,,,,QEPTXDCPBXMWJC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.930,215-322-9,1321-67-1,Naphthol,1-naphthol,Oc1cccc2ccccc12,Oc1cccc2ccccc12,"InChI=1/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",C10H8O,,,,,,KJCVRFUGPWSIIH-UHFFFAOYSA-N,Positive/Negative,UA004601|UA004603,[M+H]+,CID35|CID35,117.0698:155.0601|117.0697:155.0604:145.0647,UFZ_Additional_Specs,UA004604,[M-H]-,CID35,143.0502,UFZ_Additional_Specs
100.013.935,215-328-1,1321-89-7,Isodecanal,8-methylnonanal,CC(C)CCCCCCC=O,CC(C)CCCCCCC=O,"InChI=1/C10H20O/c1-10(2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3",C10H20O,,,,,,WDMOXLRWVGEXJV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.938,215-331-8,1322-14-1,Calcium diundec-10-enoate,calcium diundec-10-enoate,[Ca+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,[Ca+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,"InChI=1/2C11H20O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2",C11H20O2.1/2Ca,,,,,,CLOKKBBIKHZGNX-UHFFFAOYSA-L,,,,,,,,,,,
100.013.940,215-333-9,1322-20-9,"[1,1'-biphenyl]ol",biphenyl-2-ol,Oc1ccccc1c2ccccc2,Oc1ccccc1c2ccccc2,"InChI=1/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H",C12H10O,,,,,,LLEMOWNGBBNAJR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.948,215-342-8,1322-83-4,Nonylphenyl hydrogen sulphate,2-nonylphenyl hydrogen sulfate,CCCCCCCCCc1ccccc1OS(=O)(=O)O,CCCCCCCCCc1ccccc1OS(=O)(=O)O,"InChI=1/C15H24O4S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H,16,17,18)",C15H24O4S,,,,,,ORJDWQVKIMZEMX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.949,215-343-3,1322-93-6,Sodium diisopropylnaphthalenesulphonate,"sodium 2,3-diisopropylnaphthalene-1-sulfonate",[Na+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-],[Na+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-],"InChI=1/C16H20O3S.Na/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);/q;+1/p-1",C16H20O3S.Na,,,,,,RUQIYMSRQQCKIK-UHFFFAOYSA-M,,,,,,,,,,,
100.013.957,215-352-2,1323-31-5,Strychnine glycerophosphate,"2,3-dihydroxypropyl dihydrogen phosphate - strychnidin-10-one (1:1)",OCC(O)COP(=O)(O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,OCC(O)COP(=O)(O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2.C3H9O6P/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;4-1-3(5)2-9-10(6,7)8/h1-5,13,16-17,19-20H,6-11H2;3-5H,1-2H2,(H2,6,7,8)",C21H22N2O2.1/2C3H9O6P,,,,,,ROQNYMQPZHTPCA-ZEYGOCRCSA-N,,,,,,,,,,,
100.014.234,215-657-0,1338-02-9,"Naphthenic acids, copper salts",copper(2+) bis[3-(3-ethylcyclopentyl)propanoate],[Cu+2].CCC1CCC(CCC(=O)[O-])C1.CCC2CCC(CCC(=O)[O-])C2,[Cu+2].CCC1CCC(CCC(=O)[O-])C1.CCC2CCC(CCC(=O)[O-])C2,"InChI=1/2C10H18O2.Cu/c2*1-2-8-3-4-9(7-8)5-6-10(11)12;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2",-,,,,,,CLMLGYOTQMAXKL-UHFFFAOYSA-L,,,,,,,,,,,
100.014.236,215-659-1,1338-10-9,"Octadecanoic acid, ester with 1,2,3-propanetriol 2-hydroxypropanoate",2-hydroxy-3-(lactoyloxy)propyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)C(C)O,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)C(C)O,"InChI=1/C24H46O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)29-19-22(26)20-30-24(28)21(2)25/h21-22,25-26H,3-20H2,1-2H3",-,,,,,,CNFBVKHISCKTDB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.256,215-681-1,1343-88-0,"Silicic acid, magnesium salt",magnesium oxosilanediolate,[Mg+2].[O-][Si](=O)[O-],[Mg+2].[O-][Si](=O)[O-],InChI=1/Mg.O3Si/c;1-4(2)3/q+2;-2,-,,,,,,FKHIFSZMMVMEQY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.258,215-683-2,1343-98-2,Silicic acid,oxosilanediol,O[Si](=O)O,O[Si](=O)O,InChI=1/H2O3Si/c1-4(2)3/h1-2H,-,,,,,,IJKVHSBPTUYDLN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.266,215-692-1,1344-32-7,Trichloro(chloromethyl)benzene,"1,3,5-trichloro-2-(chloromethyl)benzene",ClCc1c(Cl)cc(Cl)cc1Cl,ClCc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C7H4Cl4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2",C7H4Cl4,,,,,,NJQRKFOZZUIMGW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.548,214-902-9,1208-86-2,N-phenyl-p-anisidine,4-methoxy-N-phenylaniline,COc1ccc(Nc2ccccc2)cc1,COc1ccc(Nc2ccccc2)cc1,"InChI=1/C13H13NO/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14H,1H3",C13H13NO,,,,,,OBHGSIGHEBGGFS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.549,214-903-4,1208-87-3,1-(chloromethyl)-4-(phenylthio)benzene,1-(chloromethyl)-4-(phenylsulfanyl)benzene,ClCc1ccc(Sc2ccccc2)cc1,ClCc1ccc(Sc2ccccc2)cc1,"InChI=1/C13H11ClS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2",C13H11ClS,,,,,,RLFHPRWHJYDGSD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.553,214-908-1,1209-81-0,2-[(carboxymethyl)sulphonyl]benzoic acid,2-[(carboxymethyl)sulfonyl]benzoic acid,OC(=O)CS(=O)(=O)c1ccccc1C(=O)O,OC(=O)CS(=O)(=O)c1ccccc1C(=O)O,"InChI=1/C9H8O6S/c10-8(11)5-16(14,15)7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)",C9H8O6S,,,,,,STPWPICGADJXAM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.558,214-913-9,1210-39-5,"3,3-diphenylacrylaldehyde","3,3-diphenylacrylaldehyde",O=CC=C(c1ccccc1)c2ccccc2,O=CC=C(c1ccccc1)c2ccccc2,InChI=1/C15H12O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,C15H12O,,,,,,MWAFWBDWAWZJGK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.563,214-919-1,1212-08-4,S-phenyl benzenethiosulphonate,S-phenyl benzenesulfonothioate,O=S(=O)(Sc1ccccc1)c2ccccc2,O=S(=O)(Sc1ccccc1)c2ccccc2,"InChI=1/C12H10O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H",C12H10O2S2,,,,,,ATKJLMWDXASAJA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.564,214-920-7,1212-29-9,"1,3-(dicyclohexyl)thiourea","1,3-dicyclohexylthiourea",S=C(NC1CCCCC1)NC2CCCCC2,S=C(NC1CCCCC1)NC2CCCCC2,"InChI=1/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)",C13H24N2S,,,,,,KAJICSGLHKRDLN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.568,214-924-9,1212-79-9,[2-(6-azaspiro[2.5]oct-6-yl)ethyl]guanidinium sulphate (2:1),bis[2-(6-azaspiro[2.5]oct-6-yl)-N-carbamimidoylethanaminium] sulfate,NC(=N)[NH2+]CCN1CCC2(CC1)CC2.NC(=N)[NH2+]CCN3CCC4(CC3)CC4.[O-]S(=O)(=O)[O-],NC(=N)[NH2+]CCN1CCC2(CC1)CC2.NC(=N)[NH2+]CCN3CCC4(CC3)CC4.[O-]S(=O)(=O)[O-],"InChI=1/2C10H20N4.H2O4S/c2*11-9(12)13-5-8-14-6-3-10(1-2-10)4-7-14;1-5(2,3)4/h2*1-8H2,(H4,11,12,13);(H2,1,2,3,4)",C10H20N4.1/2H2O4S,,,,,,LRLVWKPOWPBNRX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.571,214-928-0,1214-47-7,2'-hydroxychalcone,1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one,Oc1ccccc1C(=O)\\C=C\\c2ccccc2,Oc1ccccc1C(=O)\C=C\c2ccccc2,"InChI=1/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H",C15H12O2,,,,,,AETKQQBRKSELEL-ZHACJKMWSA-N,,,,,,,,,,,
100.013.573,214-930-1,1215-59-4,5-benzyloxyindole,5-(benzyloxy)-1H-indole,C(Oc1ccc2[nH]ccc2c1)c3ccccc3,C(Oc1ccc2[nH]ccc2c1)c3ccccc3,"InChI=1/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2",C15H13NO,,,,,,JCQLPDZCNSVBMS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.575,214-932-2,1216-40-6,"5-(2-bromoallyl)-5-(1-methylbutyl)-1H,3H,5H-pyrimidine-2,4,6-trione","5-(2-bromoprop-2-en-1-yl)-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCCC(C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O,CCCC(C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O,"InChI=1/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)",C12H17BrN2O3,,,,,,ZGVCLZRQOUEZHG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.578,214-935-9,1218-34-4,N-acetyl-L-tryptophan,N-acetyl-L-tryptophan,CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)",C13H14N2O3,,,,,,DZTHIGRZJZPRDV-LBPRGKRZSA-N,,,,,,,,,,,
100.013.580,214-938-5,1218-65-1,Bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate,bicyclo[2.2.1]hept-5-en-2-ylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate,O=C(OCC1CC2CC1C=C2)C3CC4CC3C=C4,O=C(OCC1CC2CC1C=C2)C3CC4CC3C=C4,"InChI=1/C16H20O2/c17-16(15-8-11-2-4-13(15)6-11)18-9-14-7-10-1-3-12(14)5-10/h1-4,10-15H,5-9H2",C16H20O2,,,,,,SOSZGLNDFITMMF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.772,226-148-8,5302-76-1,Dibromoacetyl chloride,dibromoacetyl chloride,ClC(=O)C(Br)Br,ClC(=O)C(Br)Br,InChI=1/C2HBr2ClO/c3-1(4)2(5)6/h1H,C2HBr2ClO,,,,,,LQBBYHUQQRZRLK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.785,226-162-4,9/03/5307,"2,5-diamino-4-chlorotoluene","2-chloro-5-methylbenzene-1,4-diamine",Cc1cc(N)c(Cl)cc1N,Cc1cc(N)c(Cl)cc1N,"InChI=1/C7H9ClN2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,9-10H2,1H3",C7H9ClN2,,,,,,CPCPKQUNFFHAIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.792,226-170-8,5313-35-9,"2-methyl-1H-imidazole-4,5-dicarboxylic acid","2-methyl-1H-imidazole-4,5-dicarboxylic acid",Cc1nc(C(=O)O)c([nH]1)C(=O)O,Cc1nc(C(=O)O)c([nH]1)C(=O)O,"InChI=1/C6H6N2O4/c1-2-7-3(5(9)10)4(8-2)6(11)12/h1H3,(H,7,8)(H,9,10)(H,11,12)",C6H6N2O4,,,,,,DCYCQZSHGUXYGP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.794,226-172-9,5314-55-6,Ethyltrimethoxysilane,ethyl(trimethoxy)silane,CC[Si](OC)(OC)OC,CC[Si](OC)(OC)OC,"InChI=1/C5H14O3Si/c1-5-9(6-2,7-3)8-4/h5H2,1-4H3",C5H14O3Si,,,,,,SBRXLTRZCJVAPH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.795,226-173-4,5315-25-3,2-bromo-6-methylpyridine,2-bromo-6-methylpyridine,Cc1cccc(Br)n1,Cc1cccc(Br)n1,"InChI=1/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3",C6H6BrN,,,,,,SOHDPICLICFSOP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.797,226-176-0,5317-32-8,Piperazin-1-ylpropanol,1-piperazin-1-ylpropan-1-ol,CCC(O)N1CCNCC1,CCC(O)N1CCNCC1,"InChI=1/C7H16N2O/c1-2-7(10)9-5-3-8-4-6-9/h7-8,10H,2-6H2,1H3",C7H16N2O,,,,,,IQLFPESBPUMHHG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.798,226-177-6,5317-33-9,3-(4-methyl-1-piperazine)propan-1-ol,3-(4-methylpiperazin-1-yl)propan-1-ol,CN1CCN(CCCO)CC1,CN1CCN(CCCO)CC1,"InChI=1/C8H18N2O/c1-9-4-6-10(7-5-9)3-2-8-11/h11H,2-8H2,1H3",C8H18N2O,,,,,,JKRSQNBRNIYETC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.800,226-179-7,5318-76-3,"1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea dihydrochloride","1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea dihydrochloride",Cl.Cl.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,Cl.Cl.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,"InChI=1/C19H20N6O.2ClH/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;;/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*1H",C19H20N6O.2ClH,,,,,,MLRXMTYSQKIKAK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.801,226-180-2,5320-75-2,Cinnamyl benzoate,3-phenylprop-2-en-1-yl benzoate,O=C(OC\\C=C\\c1ccccc1)c2ccccc2,O=C(OC\C=C\c1ccccc1)c2ccccc2,"InChI=1/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2",C16H14O2,,,,,,UARVBDPGNUHYQT-JXMROGBWSA-N,,,,,,,,,,,
100.023.807,226-187-0,5321-61-9,1-(m-methylbenzyl)piperazine dihydrochloride,1-(3-methylbenzyl)piperazine dihydrochloride,Cl.Cl.Cc1cccc(CN2CCNCC2)c1,Cl.Cl.Cc1cccc(CN2CCNCC2)c1,"InChI=1/C12H18N2.2ClH/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;;/h2-4,9,13H,5-8,10H2,1H3;2*1H",C12H18N2.2ClH,,,,,,PCGNLSMZOLZUAD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.968,215-364-8,1324-15-8,"Disodium dibromodibenzo[b,def]chrysene-7,14-diyl bis(sulphate)","disodium 1,2-dibromodibenzo[c,pqr]tetraphene-7,14-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c3ccc4c(OS(=O)(=O)[O-])c5c(Br)c(Br)ccc5c6ccc1c3c46,[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c3ccc4c(OS(=O)(=O)[O-])c5c(Br)c(Br)ccc5c6ccc1c3c46,"InChI=1/C24H12Br2O8S2.2Na/c25-18-10-9-14-13-6-7-16-19-12(11-3-1-2-4-15(11)23(16)33-35(27,28)29)5-8-17(20(13)19)24(21(14)22(18)26)34-36(30,31)32;;/h1-10H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C24H12Br2O8S2.2Na,,,,,,FVIUVDRWXKULGT-UHFFFAOYSA-L,,,,,,,,,,,
100.013.973,215-370-0,1324-28-3,"6,15-dihydrohydroxyanthrazine-5,9,14,18-tetrone","1-hydroxy-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrone",Oc1cccc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc3C(=O)c12,Oc1cccc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc3C(=O)c12,"InChI=1/C28H14N2O5/c31-19-7-3-6-14-20(19)27(34)16-9-11-18-24(22(16)28(14)35)30-17-10-8-15-21(23(17)29-18)26(33)13-5-2-1-4-12(13)25(15)32/h1-11,29-31H",C28H14N2O5,,,,,,DQIWJQPEXWBRHB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.987,215-385-2,1324-76-1,"[[4-[[4-(anilino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonic acid","2-[(4-{(4-anilinophenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}phenyl)amino]benzenesulfonic acid",OS(=O)(=O)c6ccccc6Nc1ccc(cc1)C(c3ccc(Nc2ccccc2)cc3)=C\\4/C=C\\C(/C=C/4)=N\\c5ccccc5,OS(=O)(=O)c6ccccc6Nc1ccc(cc1)C(c3ccc(Nc2ccccc2)cc3)=C\4/C=C\C(/C=C/4)=N\c5ccccc5,"InChI=1/C37H29N3O3S/c41-44(42,43)36-14-8-7-13-35(36)40-34-25-19-29(20-26-34)37(27-15-21-32(22-16-27)38-30-9-3-1-4-10-30)28-17-23-33(24-18-28)39-31-11-5-2-6-12-31/h1-26,38,40H,(H,41,42,43)",C37H29N3O3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5364,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.987,XRICJEBVEBHBGH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.477,225-825-5,5103-71-9,"(1a,2a,3aa,4ß,7ß,7aa)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene","1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",Cl[C@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl,Cl[C@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl,"InChI=1/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2",C10H6Cl8,,,,,,BIWJNBZANLAXMG-IQEDOFJGSA-N,,,,,,,,,,,
100.015.250,216-773-4,1664-40-0,N-phenylethylenediamine,"N-phenylethane-1,2-diamine",NCCNc1ccccc1,NCCNc1ccccc1,"InChI=1/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2",C8H12N2,,,,,,OCIDXARMXNJACB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.261,216-786-5,1667-11-4,4-(chloromethyl)biphenyl,4-(chloromethyl)biphenyl,ClCc1ccc(cc1)c2ccccc2,ClCc1ccc(cc1)c2ccccc2,"InChI=1/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2",C13H11Cl,,,,,,HLQZCRVEEQKNMS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.267,216-792-8,1668-99-1,(9S)-6'-methoxycinchonan-9-ol monohydrochloride,6'-methoxycinchonan-9-ol hydrochloride,Cl.COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,Cl.COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H",C20H24N2O2.ClH,,,,,,LBSFSRMTJJPTCW-VJAUXQICSA-N,,,,,,,,,,,
100.015.281,216-808-3,1672-58-8,"N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)formamide","N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)formamide",CN1N(C(=O)C(=C1C)NC=O)c2ccccc2,CN1N(C(=O)C(=C1C)NC=O)c2ccccc2,"InChI=1/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)",C12H13N3O2,,,,,,WSJBSKRPKADYRQ-UHFFFAOYSA-N,Positive/Negative,AU200601|AU200602|AU200603|AU200604|AU200605;EA103801|EA103802|EA103803|EA103804|EA103805|EA103806|EA103807|EA103808|EA103809|EA103810|EA103811|EA103812|EA103813|EA103814;UF411301|UF411302|UF411303|UF411304,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,232.1076:233.111:214.0964|214.0967:204.1125:232.1076|146.0589:214.0971:187.085|130.0641:146.0586:128.0486|130.0642:128.0491:132.0798;214.0977:204.1133:187.0865|232.1085:204.1136:214.097|232.1082:214.0975:204.1131|104.0496:83.0605:214.0976|104.0495:83.0605:56.0495|83.0604:56.0495:104.0495|56.0495:83.0605:77.0387|232.1084:214.0977:204.1133|232.1083:214.0977:204.1133|83.0604:104.0495:214.0975|104.0495:83.0604:56.0495|83.0604:104.0495:56.0495|56.0495:83.0604:77.0386|214.0976:204.1133:187.0866;104.0495:83.0604:94.0652|104.0495:83.0604:77.0386|214.0976:204.1133:187.0868|214.0976:204.1133:187.0867,Athens_Univ;Eawag;UFZ,UF411351|UF411352|UF411353|UF411354,[M-H]-,HCD55|HCD80|CID35|CID55,230.0931|230.094|111.0564|111.0563,UFZ
100.015.283,216-810-4,1673-08-1,Cyclohexyl palmitate,cyclohexyl palmitate,CCCCCCCCCCCCCCCC(=O)OC1CCCCC1,CCCCCCCCCCCCCCCC(=O)OC1CCCCC1,"InChI=1/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3",C22H42O2,,,,,,BMZOQYYROAVSAP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.285,216-813-0,1674-08-4,"(1a,3a,5a)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol","6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol",CC1(C)[C@H]2C[C@@H](O)C(=C)[C@@H]1C2,CC1(C)[C@H]2C[C@@H](O)C(=C)[C@@H]1C2,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3",C10H16O,,,,,,LCYXQUJDODZYIJ-HRDYMLBCSA-N,,,,,,,,,,,
100.016.162,217-777-9,1952-67-6,"5-(2-butenyl)-5-ethyl-1H,3H,5H-pyrimidine-2,4,6-trione","5-but-2-en-1-yl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",O=C1NC(=O)NC(=O)C1(CC=CC)CC,O=C1NC(=O)NC(=O)C1(CC=CC)CC,"InChI=1/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)",C10H14N2O3,,,,,,KNMOHCLEINXVBG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.165,217-781-0,1953-33-9,"5-butyl-1H,3H,5H-pyrimidine-2,4,6-trione","5-butylpyrimidine-2,4,6(1H,3H,5H)-trione",CCCCC1C(=O)NC(=O)NC1=O,CCCCC1C(=O)NC(=O)NC1=O,"InChI=1/C8H12N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h5H,2-4H2,1H3,(H2,9,10,11,12,13)",C8H12N2O3,,,,,,HTKIZIQFMHVTRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.166,217-782-6,1953-54-4,5-hydroxyindole,1H-indol-5-ol,Oc1ccc2[nH]ccc2c1,Oc1ccc2[nH]ccc2c1,"InChI=1/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H",C8H7NO,,,,,,LMIQERWZRIFWNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.167,217-783-1,1953-99-7,"3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile","3,4,5,6-tetrachlorophthalonitrile",Clc1c(Cl)c(Cl)c(C#N)c(C#N)c1Cl,Clc1c(Cl)c(Cl)c(C#N)c(C#N)c1Cl,InChI=1/C8Cl4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11,C8Cl4N2,,,,,,OQHXZZGZASQSOB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.180,217-797-8,1956-15-6,3-chloro-3-phenylalanine,beta-chlorophenylalanine,NC(C(Cl)c1ccccc1)C(=O)O,NC(C(Cl)c1ccccc1)C(=O)O,"InChI=1/C9H10ClNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)",C9H10ClNO2,,,,,,OJVPYIWDIVFKHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.195,217-813-3,1966-58-1,"3,4-dichlorobenzyl methylcarbamate","3,4-dichlorobenzyl methylcarbamate",CNC(=O)OCc1ccc(Cl)c(Cl)c1,CNC(=O)OCc1ccc(Cl)c(Cl)c1,"InChI=1/C9H9Cl2NO2/c1-12-9(13)14-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)",C9H9Cl2NO2,,,,,,DSVOTYIOPGIVPP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.198,217-817-5,1967-31-3,2-chloroterephthalic acid,2-chloroterephthalic acid,OC(=O)c1ccc(C(=O)O)c(Cl)c1,OC(=O)c1ccc(C(=O)O)c(Cl)c1,"InChI=1/C8H5ClO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5ClO4,,,,,,ZPXGNBIFHQKREO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.200,217-819-6,1968-46-3,Potassium 2-propynoate,potassium propiolate,[K+].[O-]C(=O)C#C,[K+].[O-]C(=O)C#C,"InChI=1/C3H2O2.K/c1-2-3(4)5;/h1H,(H,4,5);/q;+1/p-1",C3H2O2.K,,,,,,GLNAULDUXCVLKU-UHFFFAOYSA-M,,,,,,,,,,,
100.016.202,217-821-7,1972-28-7,Diethyl azodiformate,"diethyl diazene-1,2-dicarboxylate",O=C(N=NC(=O)OCC)OCC,O=C(N=NC(=O)OCC)OCC,"InChI=1/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3",C6H10N2O4,,,,,,FAMRKDQNMBBFBR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.205,217-824-3,5/04/1974,2-bromoheptane,2-bromoheptane,CCCCCC(C)Br,CCCCCC(C)Br,"InChI=1/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3",C7H15Br,,,,,,HLAUCEOFCOXKNF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.530,221-483-6,3114-70-3,"Cyclohexane-1,4-diamine","cyclohexane-1,4-diamine",NC1CCC(N)CC1,NC1CCC(N)CC1,"InChI=1/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2",C6H14N2,,,,,,VKIRRGRTJUUZHS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.538,221-492-5,6/02/3119,p-cyanobenzenesulphonamide,4-cyanobenzenesulfonamide,NS(=O)(=O)c1ccc(cc1)C#N,NS(=O)(=O)c1ccc(cc1)C#N,"InChI=1/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)",C7H6N2O2S,,,,,,UZECCNDOASGYNH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.433,225-775-4,5070-13-3,Bis(p-nitrophenyl) carbonate,bis(4-nitrophenyl) carbonate,[O-][N+](=O)c1ccc(OC(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(OC(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1,InChI=1/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H,C13H8N2O7,,,,,,ACBQROXDOHKANW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.434,225-777-5,5070-88-2,"17-azido-3ß,16a-dihydroxy-5a-pregnane-11,20-dione","17-azido-3,16-dihydroxypregnane-11,20-dione",CC(=O)[C@@]1(N=[N+]=[N-])[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)[C@@]1(N=[N+]=[N-])[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C21H31N3O4/c1-11(25)21(23-24-22)17(28)9-15-14-5-4-12-8-13(26)6-7-19(12,2)18(14)16(27)10-20(15,21)3/h12-15,17-18,26,28H,4-10H2,1-3H3",C21H31N3O4,,,,,,DIEUKTMUMCPTRI-KVHDYMSOSA-N,,,,,,,,,,,
100.023.436,225-779-6,5071-96-5,3-methoxybenzylamine,1-(3-methoxyphenyl)methanamine,COc1cccc(CN)c1,COc1cccc(CN)c1,"InChI=1/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3",C8H11NO,,,,,,GRRIMVWABNHKBX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.438,225-781-7,5075-13-8,O-ethyl phenylchloridothiophosphonate,O-ethyl phenylphosphonochloridothioate,CCOP(=S)(Cl)c1ccccc1,CCOP(=S)(Cl)c1ccccc1,"InChI=1/C8H10ClOPS/c1-2-10-11(9,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8H10ClOPS,,,,,,FVIHUXZNJJCGPC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.439,225-782-2,5075-48-9,trans-2-pentylcyclopropanecarboxylic acid,2-pentylcyclopropanecarboxylic acid,CCCCCC1CC1C(=O)O,CCCCCC1CC1C(=O)O,"InChI=1/C9H16O2/c1-2-3-4-5-7-6-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)",C9H16O2,,,,,,ZWABCHPDBORTSF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.440,225-783-8,5075-92-3,"1,5-dimethylpyrrolidin-2-one","1,5-dimethylpyrrolidin-2-one",CC1CCC(=O)N1C,CC1CCC(=O)N1C,"InChI=1/C6H11NO/c1-5-3-4-6(8)7(5)2/h5H,3-4H2,1-2H3",C6H11NO,,,,,,FILVIKOEJGORQS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.448,225-792-7,7/02/5081,"Ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoate","ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoate",[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C11H2F20O2.H3N/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33;/h1H,(H,32,33);1H3",C11H2F20O2.H3N,,,,,,IFECPNPXOCVGRS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.455,225-800-9,5089-16-7,"Disodium 2,5-dichloro-4-[4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 2,5-dichloro-4-[4-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O,[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O,"InChI=1/C19H12Cl4N8O7S2.2Na/c1-7-15(16(32)31(30-7)12-5-10(21)14(6-9(12)20)40(36,37)38)29-28-11-4-8(2-3-13(11)39(33,34)35)24-19-26-17(22)25-18(23)27-19;;/h2-6,15H,1H3,(H,33,34,35)(H,36,37,38)(H,24,25,26,27);;/q;2*+1/p-2",C19H12Cl4N8O7S2.2Na,,,,,,JNRGKDIQDBVGRD-UHFFFAOYSA-L,,,,,,,,,,,
100.023.467,225-814-5,5096-13-9,1-benzyl-3-carbamoylpyridinium chloride,1-benzyl-3-carbamoylpyridinium chloride,[Cl-].NC(=O)c1ccc[n+](Cc2ccccc2)c1,[Cl-].NC(=O)c1ccc[n+](Cc2ccccc2)c1,"InChI=1/C13H12N2O.ClH/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H-,14,16);1H",C13H13N2O.Cl,,,,,,XLYNVJJFQHWCEU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.468,225-815-0,5096-57-1,Canadine,"9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline",COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC,COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC,"InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",C20H21NO4,,,,,,VZTUIEROBZXUFA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.475,225-822-9,5102-83-0,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c4,"InChI=1/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)",C36H34Cl2N6O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15893,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.475,IAFBRPFISOTXSO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.146,214-460-7,1131-01-7,"2-chloro-2',6'-dimethylacetanilide","2-chloro-N-(2,6-dimethylphenyl)acetamide",Cc1cccc(C)c1NC(=O)CCl,Cc1cccc(C)c1NC(=O)CCl,"InChI=1/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)",C10H12ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18637,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.146,FPQQSNUTBWFFLB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.160,214-475-9,1132-42-9,N-cyclohexylacetoacetamide,N-cyclohexyl-3-oxobutanamide,CC(=O)CC(=O)NC1CCCCC1,CC(=O)CC(=O)NC1CCCCC1,"InChI=1/C10H17NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,11,13)",C10H17NO2,,,,,,FLCPERRDPXWFDK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.581,214-939-0,1218-72-0,Ethyl [2-[[(2-hydroxyethyl)amino]carbonyl]phenyl]carbamate,ethyl {2-[(2-hydroxyethyl)carbamoyl]phenyl}carbamate,CCOC(=O)Nc1ccccc1C(=O)NCCO,CCOC(=O)Nc1ccccc1C(=O)NCCO,"InChI=1/C12H16N2O4/c1-2-18-12(17)14-10-6-4-3-5-9(10)11(16)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)",C12H16N2O4,,,,,,BHYOHZBTLABFEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.588,214-946-9,1222-05-5,"1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylindeno[5,6-c]pyran","4,6,6,7,8,8-hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene",CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C,CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C,"InChI=1/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3",C18H26O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14504,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.588,ONKNPOPIGWHAQC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.590,214-949-5,1222-98-6,4-nitrochalcone,3-(4-nitrophenyl)-1-phenylprop-2-en-1-one,[O-][N+](=O)c1ccc(\\C=C\\C(=O)c2ccccc2)cc1,[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccccc2)cc1,InChI=1/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H,C15H11NO3,,,,,,WDZGGAFMGIOIQS-DHZHZOJOSA-N,,,,,,,,,,,
100.013.592,214-951-6,1223-36-5,Clofexamide,2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide,CCN(CC)CCNC(=O)COc1ccc(Cl)cc1,CCN(CC)CCNC(=O)COc1ccc(Cl)cc1,"InChI=1/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)",C14H21ClN2O2,,,,,,UORGKWWJEQDTGX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.593,214-952-1,1224-92-6,5a-androstan-3ß-ol,androstan-3-ol,C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2,C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2,"InChI=1/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3",C19H32O,,,,,,DJTOLSNIKJIDFF-LOVVWNRFSA-N,,,,,,,,,,,
100.023.700,226-069-9,5261-20-1,Zinc diheptanoate,zinc diheptanoate,[Zn+2].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],[Zn+2].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],"InChI=1/2C7H14O2.Zn/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2",C7H14O2.1/2Zn,,,,,,XWHCUISQLSVNCW-UHFFFAOYSA-L,,,,,,,,,,,
100.023.701,226-070-4,5261-31-4,"2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate","2-[(2-cyanoethyl){4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}amino]ethyl acetate",CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],"InChI=1/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3",C19H17Cl2N5O4,,,,,,ROPYWXVRNREIQD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.707,226-077-2,5263-87-6,Methyl 6-quinolyl ether,6-methoxyquinoline,COc1ccc2ncccc2c1,COc1ccc2ncccc2c1,"InChI=1/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3",C10H9NO,,,,,,HFDLDPJYCIEXJP-UHFFFAOYSA-N,Positive,ML002101,[M+H]+,HCD50,160.0761:145.0527:117.0577,MetaboLights,,,,,
100.023.708,226-078-8,5264-47-1,"3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzenesulphonamide","4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide",NS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)cc3,NS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)cc3,"InChI=1/C16H15N5O4S/c1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22/h2-9,15,22H,1H3,(H2,17,24,25)",C16H15N5O4S,,,,,,NHWBSZWMFRVBEV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.709,226-079-3,5264-55-1,"1,4-diamino-2-(phenylsulphonyl)anthraquinone","1,4-diamino-2-(phenylsulfonyl)-9,10-anthraquinone",Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)c4ccccc4,Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)c4ccccc4,"InChI=1/C20H14N2O4S/c21-14-10-15(27(25,26)11-6-2-1-3-7-11)18(22)17-16(14)19(23)12-8-4-5-9-13(12)20(17)24/h1-10H,21-22H2",C20H14N2O4S,,,,,,ZOYGTKBVXJRWLG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.713,226-084-0,5267-34-5,Benzhydrylammonium chloride,diphenylmethanaminium chloride,[Cl-].[NH3+]C(c1ccccc1)c2ccccc2,[Cl-].[NH3+]C(c1ccccc1)c2ccccc2,"InChI=1/C13H13N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,14H2;1H",C13H13N.ClH,,,,,,CIHWJRSPVJBHGT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.714,226-085-6,5267-39-0,4-chlorobenzhydrylamine hydrochloride,1-(4-chlorophenyl)-1-phenylmethanamine hydrochloride,Cl.NC(c1ccccc1)c2ccc(Cl)cc2,Cl.NC(c1ccccc1)c2ccc(Cl)cc2,"InChI=1/C13H12ClN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H",C13H12ClN.ClH,,,,,,UHPRBUXOILBKFH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.723,226-095-0,5272-86-6,"3,5-dimethyl-1H-pyrazol-4-amine","3,5-dimethyl-1H-pyrazol-4-amine",Cc1n[nH]c(C)c1N,Cc1n[nH]c(C)c1N,"InChI=1/C5H9N3/c1-3-5(6)4(2)8-7-3/h6H2,1-2H3,(H,7,8)",C5H9N3,,,,,,LNVWRBNPXCUYJI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.727,226-099-2,5274-99-7,1-benzoylpiperidine-4-carboxylic acid,1-benzoylpiperidine-4-carboxylic acid,OC(=O)C1CCN(CC1)C(=O)c2ccccc2,OC(=O)C1CCN(CC1)C(=O)c2ccccc2,"InChI=1/C13H15NO3/c15-12(10-4-2-1-3-5-10)14-8-6-11(7-9-14)13(16)17/h1-5,11H,6-9H2,(H,16,17)",C13H15NO3,,,,,,ZTGMNCCDDKBPML-UHFFFAOYSA-N,,,,,,,,,,,
100.023.728,226-100-6,2/11/5277,"N,N-dimethylheptylamine","N,N-dimethylheptan-1-amine",CCCCCCCN(C)C,CCCCCCCN(C)C,"InChI=1/C9H21N/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3",C9H21N,,,,,,LSICDRUYCNGRIF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.479,225-827-6,5104-49-4,Flurbiprofen,2-(2-fluorobiphenyl-4-yl)propanoic acid,CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2,CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2,"InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",C15H13FO2,,,,,,SYTBZMRGLBWNTM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.481,225-829-7,5106-98-9,4-chlorosalicylic acid,4-chloro-2-hydroxybenzoic acid,OC(=O)c1ccc(Cl)cc1O,OC(=O)c1ccc(Cl)cc1O,"InChI=1/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)",C7H5ClO3,,,,,,LWXFCZXRFBUOOR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.487,225-836-5,5110-69-0,(2-iodoethyl)trimethylammonium iodide,"2-iodo-N,N,N-trimethylethanaminium iodide",[I-].C[N+](C)(C)CCI,[I-].C[N+](C)(C)CCI,"InChI=1/C5H13IN.HI/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1",C5H13IN.I,,,,,,HUOSDXNNLBQJLM-UHFFFAOYSA-M,,,,,,,,,,,
100.023.488,225-837-0,5111-65-9,6-bromo-2-naphthylmethylether,2-bromo-6-methoxynaphthalene,COc1ccc2cc(Br)ccc2c1,COc1ccc2cc(Br)ccc2c1,"InChI=1/C11H9BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3",C11H9BrO,,,,,,AYFJBMBVXWNYLT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.489,225-838-6,5111-70-6,5-methoxyindan-1-one,5-methoxyindan-1-one,COc1ccc2C(=O)CCc2c1,COc1ccc2C(=O)CCc2c1,"InChI=1/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H3",C10H10O2,,,,,,QOPRWBRNMPANKN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.491,225-840-7,5112-23-2,"3-(2,4,6-trichlorophenoxy)propane-1,2-diol","3-(2,4,6-trichlorophenoxy)propane-1,2-diol",OCC(O)COc1c(Cl)cc(Cl)cc1Cl,OCC(O)COc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C9H9Cl3O3/c10-5-1-7(11)9(8(12)2-5)15-4-6(14)3-13/h1-2,6,13-14H,3-4H2",C9H9Cl3O3,,,,,,UEYYGXZIKYKIMT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.498,225-848-0,5116-24-5,a-hydroxythymidine,"1-(2-deoxypentofuranosyl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione",OCC1OC(CC1O)N2C=C(CO)C(=O)NC2=O,OCC1OC(CC1O)N2C=C(CO)C(=O)NC2=O,"InChI=1/C10H14N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2,6-8,13-15H,1,3-4H2,(H,11,16,17)",C10H14N2O6,,,,,,IPAVKOYJGUMINP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.503,225-853-8,5117-13-5,4-(2-methyl-1-oxoallyl)morpholine,4-methacryloylmorpholine,CC(=C)C(=O)N1CCOCC1,CC(=C)C(=O)N1CCOCC1,"InChI=1/C8H13NO2/c1-7(2)8(10)9-3-5-11-6-4-9/h1,3-6H2,2H3",C8H13NO2,,,,,,AKVUWTYSNLGBJY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.508,225-859-0,5118-80-9,"6,6'-(m-phenylene)bis(1,3,5-triazine-2,4-diamine)","6,6'-(1,3-phenylene)bis(1,3,5-triazine-2,4-diamine)",Nc1nc(N)nc(n1)c2cccc(c2)c3nc(N)nc(N)n3,Nc1nc(N)nc(n1)c2cccc(c2)c3nc(N)nc(N)n3,"InChI=1/C12H12N10/c13-9-17-7(18-10(14)21-9)5-2-1-3-6(4-5)8-19-11(15)22-12(16)20-8/h1-4H,(H4,13,14,17,18,21)(H4,15,16,19,20,22)",C12H12N10,,,,,,SVOFLTDQIZSKLN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.510,225-861-1,5123-63-7,Sodium m-(diethylamino)benzenesulphonate,sodium 3-(diethylamino)benzenesulfonate,[Na+].CCN(CC)c1cccc(c1)S(=O)(=O)[O-],[Na+].CCN(CC)c1cccc(c1)S(=O)(=O)[O-],"InChI=1/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1",C10H15NO3S.Na,,,,,,YERLJJDMKZJPBL-UHFFFAOYSA-M,,,,,,,,,,,
100.023.517,225-869-5,5128-95-0,Bismuth (3+) oleate,bismuth(3+) trioctadec-9-enoate,[BiH3+3].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[BiH3+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O2.Bi.3H/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);;;;/q;;;+3;;;/p-3/r3C18H34O2.BiH3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);1H3/q;;;+3/p-3",C54H99BiO6,,,,,,UPYRRDBDKMMVRX-FLONPZDISA-K,,,,,,,,,,,
100.023.518,225-870-0,5129-00-0,Methyl bis(4-hydroxyphenyl)acetate,methyl bis(4-hydroxyphenyl)acetate,COC(=O)C(c1ccc(O)cc1)c2ccc(O)cc2,COC(=O)C(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C15H14O4/c1-19-15(18)14(10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h2-9,14,16-17H,1H3",C15H14O4,,,,,,GKFFBAQBFJBIDR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.523,225-875-8,5131-24-8,"O,O-diethyl phthalimidophosphonothioate","O,O-diethyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phosphonothioate",CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O,CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O,"InChI=1/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3",C12H14NO4PS,,,,,,MTBZIGHNGSTDJV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.524,225-876-3,5131-58-8,4-nitro-m-phenylenediamine,"4-nitrobenzene-1,3-diamine",Nc1ccc(c(N)c1)[N+](=O)[O-],Nc1ccc(c(N)c1)[N+](=O)[O-],"InChI=1/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2",C6H7N3O2,,,,,,DPIZKMGPXNXSGL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.193,214-512-9,1138-48-3,"(cis)-1,1'-(1,2-cyclopropanediyl)bisbenzene","1,1'-cyclopropane-1,2-diyldibenzene",C1C(C1c2ccccc2)c3ccccc3,C1C(C1c2ccccc2)c3ccccc3,"InChI=1/C15H14/c1-3-7-12(8-4-1)14-11-15(14)13-9-5-2-6-10-13/h1-10,14-15H,11H2",C15H14,,,,,,ZSIYTDQNAOYUNE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.203,214-523-9,1140-14-3,"2,4-dimethylbenzophenone","(2,4-dimethylphenyl)(phenyl)methanone",Cc1ccc(C(=O)c2ccccc2)c(C)c1,Cc1ccc(C(=O)c2ccccc2)c(C)c1,"InChI=1/C15H14O/c1-11-8-9-14(12(2)10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3",C15H14O,,,,,,UYSQHMXRROFKRN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.542,221-496-7,3120-74-9,4-(methylthio)-m-cresol,3-methyl-4-(methylsulfanyl)phenol,CSc1ccc(O)cc1C,CSc1ccc(O)cc1C,"InChI=1/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3",C8H10OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11712,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.542,VKALYYFVKBXHTF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.545,221-499-3,3121-61-7,2-methoxyethyl acrylate,2-methoxyethyl acrylate,COCCOC(=O)C=C,COCCOC(=O)C=C,"InChI=1/C6H10O3/c1-3-6(7)9-5-4-8-2/h3H,1,4-5H2,2H3",C6H10O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13492,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.545,HFCUBKYHMMPGBY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.546,221-500-7,3121-70-8,1-naphthyl butyrate,1-naphthyl butyrate,CCCC(=O)Oc1cccc2ccccc12,CCCC(=O)Oc1cccc2ccccc12,"InChI=1/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3",C14H14O2,,,,,,XIVJNRXPRQKFRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.555,221-510-1,3127-80-8,"(1a,2ß,5ß)-5-(isopropyl)-2-methylcyclohexan-1-ol",5-isopropyl-2-methylcyclohexanol,CC(C)[C@@H]1CC[C@H](C)[C@@H](O)C1,CC(C)[C@@H]1CC[C@H](C)[C@@H](O)C1,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,ULJXKUJMXIVDOY-AEJSXWLSSA-N,,,,,,,,,,,
100.019.566,221-522-7,3130-96-9,Rathyronine,"O-(4-hydroxy-3-iodophenyl)-3,5-diiodotyrosine",NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,"InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)",C15H12I3NO4,,,,,,AUYYCJSJGJYCDS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.572,221-529-5,1/12/3134,Phenobenzuron,"N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide",CN(C)C(=O)N(C(=O)c1ccccc1)c2ccc(Cl)c(Cl)c2,CN(C)C(=O)N(C(=O)c1ccccc1)c2ccc(Cl)c(Cl)c2,"InChI=1/C16H14Cl2N2O2/c1-19(2)16(22)20(12-8-9-13(17)14(18)10-12)15(21)11-6-4-3-5-7-11/h3-10H,1-2H3",C16H14Cl2N2O2,,,,,,QQXXYTVEGCOZRF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.583,218-241-7,2090-82-6,Phenolphthalein phosphate,"4-[1-(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl phosphate",Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(OP(=O)([O-])[O-])cc4,Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(OP(=O)([O-])[O-])cc4,"InChI=1/C20H15O7P/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25/h1-12,21H,(H2,23,24,25)/p-2",C20H16O10P2,,,,,,NEMOXUWHWHQWJM-UHFFFAOYSA-L,,,,,,,,,,,
100.016.585,218-243-8,2091-61-4,2-chloro-1-(4-nitrophenoxy)benzene,1-chloro-2-(4-nitrophenoxy)benzene,[O-][N+](=O)c1ccc(Oc2ccccc2Cl)cc1,[O-][N+](=O)c1ccc(Oc2ccccc2Cl)cc1,InChI=1/C12H8ClNO3/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H,C12H8ClNO3,,,,,,YRXPWHHZVCKCLN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.586,218-244-3,2092-16-2,Calcium dithiocyanate,calcium bis(thiocyanate),[Ca+2].[S-]C#N.[S-]C#N,[Ca+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Ca/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Ca,,,,,,RLDQYSHDFVSAPL-UHFFFAOYSA-L,,,,,,,,,,,
100.016.588,218-246-4,2092-55-9,Sodium 4-hydroxy-3-(2-hydroxy-1-naphthalenylazo)benzenesulphonate,sodium 4-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate,[Na+].Oc3ccc(cc3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O,[Na+].Oc3ccc(cc3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O,"InChI=1/C16H12N2O5S.Na/c19-14-8-6-11(24(21,22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)20;/h1-9,19-20H,(H,21,22,23);/q;+1/p-1",C16H12N2O5S.Na,,,,,,BEQIIZJSZSVJJK-UHFFFAOYSA-M,,,,,,,,,,,
100.016.597,218-256-9,5/02/2095,"2,4-diamino-3,5-diethyltoluene","2,4-diethyl-6-methylbenzene-1,3-diamine",CCc1cc(C)c(N)c(CC)c1N,CCc1cc(C)c(N)c(CC)c1N,"InChI=1/C11H18N2/c1-4-8-6-7(3)10(12)9(5-2)11(8)13/h6H,4-5,12-13H2,1-3H3",C11H18N2,,,,,,PISLZQACAJMAIO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.599,218-259-5,9/06/2095,"N,N-bis(2,3-epoxypropyl)aniline","N,N-bis(oxiran-2-ylmethyl)aniline",C(C1CO1)N(CC2CO2)c3ccccc3,C(C1CO1)N(CC2CO2)c3ccccc3,"InChI=1/C12H15NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h1-5,11-12H,6-9H2",C12H15NO2,,,,,,JAYXSROKFZAHRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.600,218-260-0,2095-57-0,"5-(sec-butyl)-5-ethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione","5-sec-butyl-5-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCC(C)C1(CC)C(=O)NC(=S)NC1=O,CCC(C)C1(CC)C(=O)NC(=S)NC1=O,"InChI=1/C10H16N2O2S/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)",C10H16N2O2S,,,,,,IDELNEDBPWKHGK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.604,218-264-2,2099-26-5,"Androst-5-ene-(3ß,17ß)-diyl diacetate","androst-5-ene-3,17-diyl diacetate",CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)OC(=O)C,CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)OC(=O)C,"InChI=1/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3",C23H34O4,,,,,,QXKRUGDXPWHXHL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.606,218-266-3,2100-25-6,"1-iodo-2,3,5,6-tetramethylbenzene","3-iodo-1,2,4,5-tetramethylbenzene",Cc1cc(C)c(C)c(I)c1C,Cc1cc(C)c(C)c(I)c1C,"InChI=1/C10H13I/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3",C10H13I,,,,,,MCRSYYLHVQGFNR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.622,218-284-1,2106-05-0,5-chloro-2-fluoroaniline,5-chloro-2-fluoroaniline,Nc1cc(Cl)ccc1F,Nc1cc(Cl)ccc1F,"InChI=1/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2",C6H5ClFN,,,,,,JCYROOANFKVAIB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.165,214-481-1,1134-04-9,"3,4,5,6-tetrachloro-2-(trichloromethyl)pyridine","2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine",Clc1nc(c(Cl)c(Cl)c1Cl)C(Cl)(Cl)Cl,Clc1nc(c(Cl)c(Cl)c1Cl)C(Cl)(Cl)Cl,"InChI=1/C6Cl7N/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9",C6Cl7N,,,,,,YMBFWRZKTZICHS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.166,214-482-7,1134-23-2,S-ethyl N-cyclohexylthiocarbamate,S-ethyl cyclohexyl(ethyl)thiocarbamate,CCSC(=O)N(CC)C1CCCCC1,CCSC(=O)N(CC)C1CCCCC1,"InChI=1/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3",C11H21NOS,,,,,,DFCAFRGABIXSDS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.167,214-483-2,1134-35-6,"4,4'-dimethyl-2,2'-bipyridyl","4,4'-dimethyl-2,2'-bipyridine",Cc1ccnc(c1)c2cc(C)ccn2,Cc1ccnc(c1)c2cc(C)ccn2,"InChI=1/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3",C12H12N2,,,,,,NBPGPQJFYXNFKN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.169,214-485-3,1134-40-3,"2,3,6,7-tetramethylnaphthalene","2,3,6,7-tetramethylnaphthalene",Cc1cc2cc(C)c(C)cc2cc1C,Cc1cc2cc(C)c(C)cc2cc1C,"InChI=1/C14H16/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2/h5-8H,1-4H3",C14H16,,,,,,QYEOHOUFXNEWEI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.171,214-487-4,1134-85-6,"Ammonium 2-amino-4,6-dinitrophenolate","ammonium 2-amino-4,6-dinitrophenolate",[NH4+].Nc1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-],[NH4+].Nc1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H5N3O5.H3N/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;1H3",C6H5N3O5.H3N,,,,,,QVQATLCZPOLIEI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.173,214-490-0,1135-24-6,4-hydroxy-3-methoxycinnamic acid,3-(4-hydroxy-3-methoxyphenyl)acrylic acid,COc1cc(\\C=C\\C(=O)O)ccc1O,COc1cc(\C=C\C(=O)O)ccc1O,"InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",C10H10O4,,,,,,KSEBMYQBYZTDHS-HWKANZROSA-N,,,,,,,,,,,
100.013.174,214-491-6,1135-32-6,"1,2-di(4-pyridyl)ethylene","4,4'-ethene-1,2-diyldipyridine",C(=C\\c1ccncc1)/c2ccncc2,C(=C\c1ccncc1)/c2ccncc2,InChI=1/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H,C12H10N2,,,,,,MGFJDEHFNMWYBD-OWOJBTEDSA-N,,,,,,,,,,,
100.013.176,214-493-7,1135-51-9,"2,2'-[ethylenebis(oxy)]bis[1,3,2-dioxaborolane]","2,2'-[ethane-1,2-diylbis(oxy)]bis(1,3,2-dioxaborolane)",C(COB1OCCO1)OB2OCCO2,C(COB1OCCO1)OB2OCCO2,InChI=1/C6H12B2O6/c1-2-10-7(9-1)13-5-6-14-8-11-3-4-12-8/h1-6H2,C6H12B2O6,,,,,,JUHHPHPMDHWWQW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.183,214-501-9,1136-86-3,"3',4',5'-trimethoxyacetophenone","1-(3,4,5-trimethoxyphenyl)ethanone",COc1cc(cc(OC)c1OC)C(=O)C,COc1cc(cc(OC)c1OC)C(=O)C,"InChI=1/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3",C11H14O4,,,,,,VUGQIIQFXCXZJU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.184,214-502-4,1136-89-6,Naphthyl dihydrogen phosphate,1-naphthyl dihydrogen phosphate,OP(=O)(O)Oc1cccc2ccccc12,OP(=O)(O)Oc1cccc2ccccc12,"InChI=1/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)",C10H9O4P,,,,,,YNXICDMQCQPQEW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.188,214-507-1,1137-42-4,4-hydroxybenzophenone,(4-hydroxyphenyl)(phenyl)methanone,Oc1ccc(cc1)C(=O)c2ccccc2,Oc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H",C13H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18159,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.188,NPFYZDNDJHZQKY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.765,226-140-4,5296-40-2,"[(2,4,6-tribromophenoxy)methyl]oxirane","2-[(2,4,6-tribromophenoxy)methyl]oxirane",Brc1cc(Br)c(OCC2CO2)c(Br)c1,Brc1cc(Br)c(OCC2CO2)c(Br)c1,"InChI=1/C9H7Br3O2/c10-5-1-7(11)9(8(12)2-5)14-4-6-3-13-6/h1-2,6H,3-4H2",C9H7Br3O2,,,,,,NXJGWHGJPITYOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.773,226-149-3,5303-24-2,Octyl laurate,octyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCCCCC(=O)OCCCCCCCC,"InChI=1/C20H40O2/c1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2/h3-19H2,1-2H3",C20H40O2,,,,,,BBZAGOMQOSEWBH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.774,226-150-9,5303-25-3,Dodecyl stearate,dodecyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,"InChI=1/C30H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h3-29H2,1-2H3",C30H60O2,,,,,,JRTVEUGOGWTHTR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.775,226-151-4,5303-26-4,Octyl nonanoate,octyl nonanoate,CCCCCCCCOC(=O)CCCCCCCC,CCCCCCCCOC(=O)CCCCCCCC,"InChI=1/C17H34O2/c1-3-5-7-9-11-13-15-17(18)19-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C17H34O2,,,,,,XMCQOINBECWLBL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.776,226-153-5,5303-65-1,Ethyl 3-aminobutyrate,ethyl 3-aminobutanoate,CCOC(=O)CC(C)N,CCOC(=O)CC(C)N,"InChI=1/C6H13NO2/c1-3-9-6(8)4-5(2)7/h5H,3-4,7H2,1-2H3",C6H13NO2,,,,,,HHIOOBJZIASBFF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.778,226-155-6,5304-59-6,1-(4-chlorophenyl)biguanide,N-(4-chlorophenyl)imidodicarbonimidic diamide,NC(=N)NC(=N)Nc1ccc(Cl)cc1,NC(=N)NC(=N)Nc1ccc(Cl)cc1,"InChI=1/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)",C8H10ClN5,,,,,,HTYFFCPFVMJTKM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.782,226-159-8,5306-85-4,"1,4:3,6-dianhydro-2,5-di-O-methyl-D-glucitol","1,4:3,6-dianhydro-2,5-di-O-methyl-D-glucitol",CO[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC,CO[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC,"InChI=1/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3",C8H14O4,,,,,,MEJYDZQQVZJMPP-ULAWRXDQSA-N,,,,,,,,,,,
100.023.734,226-106-9,5280-78-4,"N,N'-(2-chloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]","N,N'-(2-chloro-1,4-phenylene)bis{4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthamide}",Clc7ccc(Cl)cc7N=Nc5c6ccccc6cc(C(=O)Nc4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)ccc2Cl)c3O)cc4Cl)c5O,Clc7ccc(Cl)cc7N=Nc5c6ccccc6cc(C(=O)Nc4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)ccc2Cl)c3O)cc4Cl)c5O,"InChI=1/C40H23Cl5N6O4/c41-22-9-12-29(43)33(17-22)48-50-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)46-24-11-14-32(31(45)19-24)47-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)51-49-34-18-23(42)10-13-30(34)44/h1-19,52-53H,(H,46,54)(H,47,55)",C40H23Cl5N6O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5623,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.734,IJBLMBVNVKWXHY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.741,226-114-2,5284-66-2,Propanesulphonic acid,propane-1-sulfonic acid,CCCS(=O)(=O)O,CCCS(=O)(=O)O,"InChI=1/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)",C3H8O3S,,,,,,KCXFHTAICRTXLI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.743,226-116-3,5284-75-3,"3,3'-(decane-1,10-diyl)bisbenzothiazolium diperchlorate","3,3'-decane-1,10-diylbis-1,3-benzothiazol-3-ium diperchlorate",[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C(CCCCC[n+]1csc2ccccc12)CCCC[n+]3csc4ccccc34,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C(CCCCC[n+]1csc2ccccc12)CCCC[n+]3csc4ccccc34,"InChI=1/C24H30N2S2.2ClHO4/c1(3-5-11-17-25-19-27-23-15-9-7-13-21(23)25)2-4-6-12-18-26-20-28-24-16-10-8-14-22(24)26;2*2-1(3,4)5/h7-10,13-16,19-20H,1-6,11-12,17-18H2;2*(H,2,3,4,5)/q+2;;/p-2",C24H30N2S2.2ClO4,,,,,,FKXYCDHDQSLNPE-UHFFFAOYSA-L,,,,,,,,,,,
100.014.492,215-940-9,1457-46-1,3-phenylrhodanine,"3-phenyl-2-thioxo-1,3-thiazolidin-4-one",O=C1CSC(=S)N1c2ccccc2,O=C1CSC(=S)N1c2ccccc2,"InChI=1/C9H7NOS2/c11-8-6-13-9(12)10(8)7-4-2-1-3-5-7/h1-5H,6H2",C9H7NOS2,,,,,,DVRWEKGUWZINTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.504,215-954-5,1460-16-8,Cycloheptanecarboxylic acid,cycloheptanecarboxylic acid,OC(=O)C1CCCCCC1,OC(=O)C1CCCCCC1,"InChI=1/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)",C8H14O2,,,,,,VZFUCHSFHOYXIS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.511,215-961-3,1461-27-4,(R)-1-methyl-5-(1-methylvinyl)cyclohexene,5-isopropenyl-1-methylcyclohexene,CC(=C)[C@@H]1CCC=C(C)C1,CC(=C)[C@@H]1CCC=C(C)C1,"InChI=1/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3",C10H16,,,,,,JWQKMEKSFPNAIB-SNVBAGLBSA-N,,,,,,,,,,,
100.014.515,215-966-0,1462-27-7,1-cyclohexylbutan-1-one,1-cyclohexylbutan-1-one,CCCC(=O)C1CCCCC1,CCCC(=O)C1CCCCC1,"InChI=1/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h9H,2-8H2,1H3",C10H18O,,,,,,UYMHLXHLPQIDMA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.519,215-970-2,1462-84-6,"2,3,6-trimethylpyridine","2,3,6-trimethylpyridine",Cc1ccc(C)c(C)n1,Cc1ccc(C)c(C)n1,"InChI=1/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3",C8H11N,,,,,,UTBIMNXEDGNJFE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.523,215-974-4,1463-17-8,"2,8-dimethylquinoline","2,8-dimethylquinoline",Cc1ccc2cccc(C)c2n1,Cc1ccc2cccc(C)c2n1,"InChI=1/C11H11N/c1-8-4-3-5-10-7-6-9(2)12-11(8)10/h3-7H,1-2H3",C11H11N,,,,,,BELFSAVWJLQIBB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.526,215-978-6,1464-44-4,Phenyl ß-D-glucopyranoside,phenyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2",C12H16O6,,,,,,NEZJDVYDSZTRFS-RMPHRYRLSA-N,,,,,,,,,,,
100.014.529,215-981-2,1465-25-4,N-2-aminoethyl-1-naphthylamine dihydrochloride,"N-1-naphthylethane-1,2-diamine dihydrochloride",Cl.Cl.NCCNc1cccc2ccccc12,Cl.Cl.NCCNc1cccc2ccccc12,"InChI=1/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H",C12H14N2.2ClH,,,,,,MZNYWPRCVDMOJG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.532,215-984-9,1466-67-7,"1,3-dibenzylurea","1,3-dibenzylurea",O=C(NCc1ccccc1)NCc2ccccc2,O=C(NCc1ccccc1)NCc2ccccc2,"InChI=1/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)",C15H16N2O,,,,,,KATOLVAXCGIBLO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.533,215-985-4,1466-76-8,"2,6-dimethoxybenzoic acid","2,6-dimethoxybenzoic acid",COc1cccc(OC)c1C(=O)O,COc1cccc(OC)c1C(=O)O,"InChI=1/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18799,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.533,MBIZFBDREVRUHY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.538,215-991-7,1467-79-4,Dimethylcyanamide,dimethylcyanamide,CN(C)C#N,CN(C)C#N,InChI=1/C3H6N2/c1-5(2)3-4/h1-2H3,C3H6N2,,,,,,OAGOUCJGXNLJNL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.279,215-707-1,1344-72-5,"Silicic acid, copper salt",copper(2+) oxosilanediolate,[Cu+2].[O-][Si]([O-])=O,[Cu+2].[O-][Si]([O-])=O,InChI=1/Cu.O3Si/c;1-4(2)3/q+2;-2,-,,,,,,ZZBBCSFCMKWYQR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.285,215-713-4,1345-04-6,Antimony sulphide,"tricyclo[3.3.1.1~3,7~]tetrastibathiane",S1[Sb]2S[Sb]3S[Sb](S[Sb]1S3)S2,S1[Sb]2S[Sb]3S[Sb](S[Sb]1S3)S2,InChI=1/6S.4Sb/rS6Sb4/c1-7-2-9-4-8(1)5-10(3-7)6-9,S3Sb2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12029,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.285,KUQZHUGCMMLIPP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.206,214-527-0,1141-38-4,"Naphthalene-2,6-dicarboxylic acid","naphthalene-2,6-dicarboxylic acid",OC(=O)c1ccc2cc(ccc2c1)C(=O)O,OC(=O)c1ccc2cc(ccc2c1)C(=O)O,"InChI=1/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)",C12H8O4,,,,,,RXOHFPCZGPKIRD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.209,214-530-7,1142-15-0,p-methoxystilbene,1-methoxy-4-(2-phenylvinyl)benzene,COc1ccc(\\C=C\\c2ccccc2)cc1,COc1ccc(\C=C\c2ccccc2)cc1,"InChI=1/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3",C15H14O,,,,,,XWYXLYCDZKRCAD-BQYQJAHWSA-N,,,,,,,,,,,
100.013.214,214-535-4,1142-43-4,"5-hydroxy-6-methylpyridine-3,4-dimethanol phosphate","4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol phosphate (salt)",Oc1c(CO)c(cnc1C)CO.OP(O)(=O)O,Oc1c(CO)c(cnc1C)CO.OP(O)(=O)O,"InChI=1/C8H11NO3.H3O4P/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-5(2,3)4/h2,10-12H,3-4H2,1H3;(H3,1,2,3,4)",C8H11NO3.xH3O4P,,,,,,IPGWPDHPOQYBMR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.216,214-538-0,1143-38-0,"1,8-dihydroxyanthracen-9(10H)-one","1,8-dihydroxyanthracen-9(10H)-one",Oc1cccc2Cc3cccc(O)c3C(=O)c12,Oc1cccc2Cc3cccc(O)c3C(=O)c12,"InChI=1/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2",C14H10O3,,,,,,NUZWLKWWNNJHPT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.223,214-545-9,1145-76-2,p-(benzyloxy)nitrobenzene,1-(benzyloxy)-4-nitrobenzene,[O-][N+](=O)c1ccc(OCc2ccccc2)cc1,[O-][N+](=O)c1ccc(OCc2ccccc2)cc1,"InChI=1/C13H11NO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2",C13H11NO3,,,,,,YOVUXLHIVNBVKO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.228,214-551-1,1146-56-1,"4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-methylbutyl acetate","4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-methylbutyl acetate",CC(CCC1C2CCC(C2)C1(C)C)COC(=O)C,CC(CCC1C2CCC(C2)C1(C)C)COC(=O)C,"InChI=1/C16H28O2/c1-11(10-18-12(2)17)5-8-15-13-6-7-14(9-13)16(15,3)4/h11,13-15H,5-10H2,1-4H3",C16H28O2,,,,,,FZRIZMYSJCHODH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.234,214-557-4,1148-11-4,N-benzyloxycarbonyl-L-proline,1-[(benzyloxy)carbonyl]-L-proline,OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2,OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2,"InChI=1/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)",C13H15NO4,,,,,,JXGVXCZADZNAMJ-NSHDSACASA-N,,,,,,,,,,,
100.013.239,214-563-7,1150-26-1,N-(p-methoxyphenyl)-p-toluenesulphonamide,N-(4-methoxyphenyl)-4-methylbenzenesulfonamide,COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,"InChI=1/C14H15NO3S/c1-11-3-9-14(10-4-11)19(16,17)15-12-5-7-13(18-2)8-6-12/h3-10,15H,1-2H3",C14H15NO3S,,,,,,GFPBLDMXBCYORT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.240,214-564-2,1150-62-5,N-phenylcarbazole,9-phenyl-9H-carbazole,c1ccc(cc1)n2c3ccccc3c4ccccc24,c1ccc(cc1)n2c3ccccc3c4ccccc24,InChI=1/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H,C18H13N,,,,,,VIJYEGDOKCKUOL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.819,226-201-5,5326-23-8,6-chloronicotinic acid,6-chloronicotinic acid,OC(=O)c1ccc(Cl)nc1,OC(=O)c1ccc(Cl)nc1,"InChI=1/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)",C6H4ClNO2,,,,,,UAWMVMPAYRWUFX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.821,226-203-6,5326-34-1,4-bromo-3-nitrotoluene,1-bromo-4-methyl-2-nitrobenzene,Cc1ccc(Br)c(c1)[N+](=O)[O-],Cc1ccc(Br)c(c1)[N+](=O)[O-],"InChI=1/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",C7H6BrNO2,,,,,,UPBUTKQMDPHQAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.823,226-205-7,5326-47-6,5-iodoanthranil acid,2-amino-5-iodobenzoic acid,Nc1ccc(I)cc1C(=O)O,Nc1ccc(I)cc1C(=O)O,"InChI=1/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)",C7H6INO2,,,,,,GOLGILSVWFKZRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.826,226-208-3,6/02/5327,3-(hexyloxy)propiononitrile,3-(hexyloxy)propanenitrile,CCCCCCOCCC#N,CCCCCCOCCC#N,"InChI=1/C9H17NO/c1-2-3-4-5-8-11-9-6-7-10/h2-6,8-9H2,1H3",C9H17NO,,,,,,CVGVUZQHVVQSRO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.830,226-213-0,8/01/5328,Ethyl 1-naphthyl ether,1-ethoxynaphthalene,CCOc1cccc2ccccc12,CCOc1cccc2ccccc12,"InChI=1/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3",C12H12O,,,,,,APWZAIZNWQFZBK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.831,226-214-6,5328-37-0,L-arabinose,L-arabinose,OC[C@H](O)[C@H](O)[C@@H](O)C=O,OC[C@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-VAYJURFESA-N,,,,,,,,,,,
100.023.834,226-217-2,4/12/5329,"2,4,6-trichlorophenylhydrazine","(2,4,6-trichlorophenyl)hydrazine",NNc1c(Cl)cc(Cl)cc1Cl,NNc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C6H5Cl3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H2",C6H5Cl3N2,,,,,,MULHANRBCQBHII-UHFFFAOYSA-N,,,,,,,,,,,
100.023.839,226-223-5,5330-18-7,"1-(2,4-dichlorophenoxy)propan-2-ol","1-(2,4-dichlorophenoxy)propan-2-ol",CC(O)COc1ccc(Cl)cc1Cl,CC(O)COc1ccc(Cl)cc1Cl,"InChI=1/C9H10Cl2O2/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6,12H,5H2,1H3",C9H10Cl2O2,,,,,,FCXMBTHLXLLDFS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.125,219-936-8,2578-40-7,"1,6-dimethyl-2-[(1-methyl-4(1H)-quinolylidene)methyl]quinolinium iodide","1,6-dimethyl-2-[(1-methylquinolin-4(1H)-ylidene)methyl]quinolinium iodide",[I-].C[n+]3c4ccc(C)cc4ccc3C=C2/C=C\\N(C)c1ccccc12,[I-].C[n+]3c4ccc(C)cc4ccc3C=C2/C=C\N(C)c1ccccc12,"InChI=1/C22H21N2.HI/c1-16-8-11-21-18(14-16)9-10-19(24(21)3)15-17-12-13-23(2)22-7-5-4-6-20(17)22;/h4-15H,1-3H3;1H/q+1;/p-1",C22H21N2.I,,,,,,GGVGEPBFZGZKFG-UHFFFAOYSA-M,,,,,,,,,,,
100.015.293,216-821-4,1675-46-3,10-(3-chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine,10-(3-chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine,FC(F)(F)c1ccc2Sc3ccccc3N(CCCCl)c2c1,FC(F)(F)c1ccc2Sc3ccccc3N(CCCCl)c2c1,"InChI=1/C16H13ClF3NS/c17-8-3-9-21-12-4-1-2-5-14(12)22-15-7-6-11(10-13(15)21)16(18,19)20/h1-2,4-7,10H,3,8-9H2",C16H13ClF3NS,,,,,,BZEJZIAESDBOJX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.294,216-823-5,1675-54-3,"2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane","2,2'-[propane-2,2-diylbis(4,1-phenyleneoxymethylene)]dioxirane",CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)cc3,CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)cc3,"InChI=1/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3",C21H24O4,,,,,,LCFVJGUPQDGYKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.295,216-824-0,1675-69-0,Azelaonitrile,azelonitrile,N#CCCCCCCCC#N,N#CCCCCCCCC#N,InChI=1/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2,C9H14N2,,,,,,QXOYPGTWWXJFDI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.296,216-825-6,1676-63-7,1-(4-ethoxyphenyl)ethan-1-one,1-(4-ethoxyphenyl)ethanone,CCOc1ccc(cc1)C(=O)C,CCOc1ccc(cc1)C(=O)C,"InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3",C10H12O2,,,,,,YJFNFQHMQJCPRG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.304,216-834-5,1678-45-1,2-hydroxy-1-(hydroxymethyl)ethyl laurate,2-hydroxy-1-(hydroxymethyl)ethyl laurate,CCCCCCCCCCCC(=O)OC(CO)CO,CCCCCCCCCCCC(=O)OC(CO)CO,"InChI=1/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-14(12-16)13-17/h14,16-17H,2-13H2,1H3",C15H30O4,,,,,,ZUCMOZYYSZYRRM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.305,216-835-0,1678-91-7,Ethylcyclohexane,ethylcyclohexane,CCC1CCCCC1,CCC1CCCCC1,"InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3",C8H16,,,,,,IIEWJVIFRVWJOD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.307,216-837-1,1678-93-9,Butylcyclohexane,butylcyclohexane,CCCCC1CCCCC1,CCCCC1CCCCC1,"InChI=1/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3",C10H20,,,,,,GGBJHURWWWLEQH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.311,216-841-3,1679-07-8,Cyclopentanethiol,cyclopentanethiol,SC1CCCC1,SC1CCCC1,"InChI=1/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2",C5H10S,,,,,,WVDYBOADDMMFIY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.318,216-849-7,1679-64-7,Methyl hydrogen terephthalate,4-(methoxycarbonyl)benzoic acid,COC(=O)c1ccc(cc1)C(=O)O,COC(=O)c1ccc(cc1)C(=O)O,"InChI=1/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)",C9H8O4,,,,,,REIDAMBAPLIATC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.328,216-860-7,1681-77-2,5-bromodihydro-5-methyluracil,"5-bromo-5-methyldihydropyrimidine-2,4(1H,3H)-dione",CC1(Br)CNC(=O)NC1=O,CC1(Br)CNC(=O)NC1=O,"InChI=1/C5H7BrN2O2/c1-5(6)2-7-4(10)8-3(5)9/h2H2,1H3,(H2,7,8,9,10)",C5H7BrN2O2,,,,,,JAYJINMXBQPKAF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.330,216-862-8,1682-31-1,"1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodoheptane","1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodoheptane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C7H4F11I/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2H2",C7H4F11I,,,,,,KEHJVWWDDAAVHB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.334,216-867-5,1684-40-8,"1,2,3,4-tetrahydroacridin-9-amine monohydrochloride","1,2,3,4-tetrahydroacridin-9-amine hydrochloride",Cl.Nc1c2CCCCc2nc3ccccc13,Cl.Nc1c2CCCCc2nc3ccccc13,"InChI=1/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H",C13H14N2.ClH,,,,,,ZUFVXZVXEJHHBN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.211,217-831-1,1/04/1976,"2-bromo-N,N-dimethylbenzylamine","1-(2-bromophenyl)-N,N-dimethylmethanamine",CN(C)Cc1ccccc1Br,CN(C)Cc1ccccc1Br,"InChI=1/C9H12BrN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3",C9H12BrN,,,,,,ZPZPSZZVDFMNQS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.220,217-841-6,1982-37-2,Methdilazine,10-[(1-methylpyrrolidin-3-yl)methyl]-10H-phenothiazine,CN1CCC(CN2c3ccccc3Sc4ccccc24)C1,CN1CCC(CN2c3ccccc3Sc4ccccc24)C1,"InChI=1/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3",C18H20N2S,,,,,,HTMIBDQKFHUPSX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.222,217-843-7,1982-47-4,Chloroxuron,"3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea",CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,"InChI=1/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)",C15H15ClN2O2,,,,,,IVUXTESCPZUGJC-UHFFFAOYSA-N,Positive,SM842603;UF404601|UF404602|UF404603|UF404604,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,72.0444:291.0896:218.0368;72.0442:118.065:163.0308|72.0442:163.0308:118.0651|291.0893:164.0943:246.0317|164.0943:246.0317:147.0677,CASMI_2016;UFZ,,,,,
100.016.229,217-851-0,1984-15-2,Medronic acid,methylenebis(phosphonic acid),OP(=O)(O)CP(=O)(O)O,OP(=O)(O)CP(=O)(O)O,"InChI=1/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)",CH6O6P2,,,,,,MBKDYNNUVRNNRF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.783,226-160-3,5306-98-9,5-chloro-o-cresol,5-chloro-2-methylphenol,Cc1ccc(Cl)cc1O,Cc1ccc(Cl)cc1O,"InChI=1/C7H7ClO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3",C7H7ClO,,,,,,KKFPXGXMSBBNJI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.789,226-167-1,5309-52-4,2-ethylhex-2-enoic acid,2-ethylhex-2-enoic acid,CCCC=C(CC)C(O)=O,CCCC=C(CC)C(O)=O,"InChI=1/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3,(H,9,10)",C8H14O2,,,,,,WOWYPHJOHOCYII-UHFFFAOYSA-N,,,,,,,,,,,
100.023.790,226-168-7,5311-88-6,Propionaldehyde phenylhydrazone,1-phenyl-2-propylidenehydrazine,CC\\C=N\\Nc1ccccc1,CC\C=N\Nc1ccccc1,"InChI=1/C9H12N2/c1-2-8-10-11-9-6-4-3-5-7-9/h3-8,11H,2H2,1H3",C9H12N2,,,,,,DRURZGNJHCCKHQ-CSKARUKUSA-N,,,,,,,,,,,
100.023.799,226-178-1,5317-66-8,Ethyl dichlorophenylacetate,ethyl dichloro(phenyl)acetate,CCOC(=O)C(Cl)(Cl)c1ccccc1,CCOC(=O)C(Cl)(Cl)c1ccccc1,"InChI=1/C10H10Cl2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C10H10Cl2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10509,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.799,XNQDHXMQDHWHRU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.805,226-184-4,5321-48-2,1-(3-methylbenzyl)piperazine,1-(3-methylbenzyl)piperazine,Cc1cccc(CN2CCNCC2)c1,Cc1cccc(CN2CCNCC2)c1,"InChI=1/C12H18N2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14/h2-4,9,13H,5-8,10H2,1H3",C12H18N2,,,,,,VTEOTZPEMDQENX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.811,226-191-2,5323-95-5,Sodium (R)-12-hydroxyoleate,sodium 12-hydroxyoctadec-9-enoate,[Na+].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Na+].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O3.Na/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1",C18H34O3.Na,,,,,,IJRHDFLHUATAOS-DPMBMXLASA-M,,,,,,,,,,,
100.013.971,215-367-4,1324-26-1,"Trichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone","1,2,3-trichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrone",Clc1cc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc3C(=O)c2c(Cl)c1Cl,Clc1cc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc3C(=O)c2c(Cl)c1Cl,"InChI=1/C28H11Cl3N2O4/c29-15-9-14-18(22(31)21(15)30)27(36)13-6-8-17-24(20(13)28(14)37)33-16-7-5-12-19(23(16)32-17)26(35)11-4-2-1-3-10(11)25(12)34/h1-9,32-33H",C28H11Cl3N2O4,,,,,,YPEWPHNFXYTWET-UHFFFAOYSA-N,,,,,,,,,,,
100.013.976,215-373-7,1324-34-1,"Trichloropyranthrene-8,16-dione","1,2,3-trichloropyranthrene-8,16-dione",Clc1cc2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc(C(=O)c2c(Cl)c1Cl)c3c8c4c57,Clc1cc2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc(C(=O)c2c(Cl)c1Cl)c3c8c4c57,InChI=1/C30H11Cl3O2/c31-21-11-20-19-10-13-5-7-16-24-18(14-3-1-2-4-15(14)29(16)34)9-12-6-8-17(25(19)23(12)22(13)24)30(35)26(20)28(33)27(21)32/h1-11H,C30H11Cl3O2,,,,,,TYXGVROLOQMZIC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.980,215-377-9,1324-53-4,"Disodium 1-amino-4-(4-dodecylsulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(4-dodecyl-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].CCCCCCCCCCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C32H38N2O8S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-18-24(26(19-21)43(37,38)39)34-25-20-27(44(40,41)42)30(33)29-28(25)31(35)22-15-12-13-16-23(22)32(29)36;;/h12-13,15-20,34H,2-11,14,33H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C32H38N2O8S2.2Na,,,,,,WIWGQTZNHNTAOB-UHFFFAOYSA-L,,,,,,,,,,,
100.013.982,215-380-5,1324-55-6,"Dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione","1,2-dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione",Clc1ccc2c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(C(=O)c2c1Cl)c3c49)c5c68,Clc1ccc2c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(C(=O)c2c1Cl)c3c49)c5c68,InChI=1/C34H14Cl2O2/c35-26-14-13-22-21-8-7-18-19-9-11-24-29-16(15-3-1-2-4-23(15)33(24)37)5-6-17(27(19)29)20-10-12-25(30(21)28(18)20)34(38)31(22)32(26)36/h1-14H,C34H14Cl2O2,,,,,,OIBGXYNSTANEQB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.988,215-386-8,1324-77-2,"[[4-[[4-(phenylimino)-2,5-cyclohexadien-1-ylidene][4-[(sulphophenyl)amino]phenyl]methyl]phenyl]amino]benzenesulphonic acid","2,2'-[{[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methylene}bis(4,1-phenyleneimino)]dibenzenesulfonic acid",OS(=O)(=O)c1ccccc1Nc2ccc(cc2)C(=C3C=CC(=Nc4ccccc4)C=C3)c5ccc(Nc6ccccc6S(=O)(=O)O)cc5,OS(=O)(=O)c1ccccc1Nc2ccc(cc2)C(=C3C=CC(=Nc4ccccc4)C=C3)c5ccc(Nc6ccccc6S(=O)(=O)O)cc5,"InChI=1/C37H29N3O6S2/c41-47(42,43)35-12-6-4-10-33(35)39-31-22-16-27(17-23-31)37(26-14-20-30(21-15-26)38-29-8-2-1-3-9-29)28-18-24-32(25-19-28)40-34-11-5-7-13-36(34)48(44,45)46/h1-25,39-40H,(H,41,42,43)(H,44,45,46)",C37H29N3O6S2,,,,,,IZHYQFNFRVPCBD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.989,215-387-3,1324-86-3,"Sodium hydrogen 2-[[4-[(4-amino-m-tolyl)[4-[(sulphonato-2-naphthyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]naphthalene-1-sulphonate","sodium hydrogen 2-({4-[(4-amino-3-methylphenyl){4-[(1-sulfonato-2-naphthyl)amino]phenyl}methylene]cyclohexa-2,5-dien-1-ylidene}amino)naphthalene-1-sulfonate",[H+].[Na+].[O-]S(=O)(=O)c6c7ccccc7ccc6Nc1ccc(cc1)C(\\c2cc(C)c(N)cc2)=C3\\C=C/C(/C=C3)=Nc5ccc4ccccc4c5S([O-])(=O)=O,[H+].[Na+].[O-]S(=O)(=O)c6c7ccccc7ccc6Nc1ccc(cc1)C(\c2cc(C)c(N)cc2)=C3\C=C/C(/C=C3)=Nc5ccc4ccccc4c5S([O-])(=O)=O,"InChI=1/C40H31N3O6S2.Na.H2/c1-25-24-30(14-21-35(25)41)38(28-10-17-31(18-11-28)42-36-22-15-26-6-2-4-8-33(26)39(36)50(44,45)46)29-12-19-32(20-13-29)43-37-23-16-27-7-3-5-9-34(27)40(37)51(47,48)49;;/h2-24,42H,41H2,1H3,(H,44,45,46)(H,47,48,49);;1H/q;2*+1/p-2",C40H31N3O6S2.Na,,,,,,PCHTYMJTDHYWBP-HSEIHEFHSA-M,,,,,,,,,,,
100.014.311,215-742-2,1397-89-3,Amphotericin B,"33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\\C=C\\C=C\\C=C\\C=C\\C=C\\C=C\\C=C\\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O,"InChI=1/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)",C47H73NO17,,,,,,APKFDSVGJQXUKY-INPOYWNPSA-N,,,,,,,,,,,
100.013.601,214-961-0,1226-43-3,"2'-benzoyl-1',2'-dimethylbenzohydrazide","N'-benzoyl-N,N'-dimethylbenzohydrazide",CN(N(C)C(=O)c1ccccc1)C(=O)c2ccccc2,CN(N(C)C(=O)c1ccccc1)C(=O)c2ccccc2,"InChI=1/C16H16N2O2/c1-17(15(19)13-9-5-3-6-10-13)18(2)16(20)14-11-7-4-8-12-14/h3-12H,1-2H3",C16H16N2O2,,,,,,PQEZHJRKUSZEBK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.611,214-972-0,1233-26-7,"p,p'-octylidenebisphenol","4,4'-octane-1,1-diyldiphenol",CCCCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,CCCCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C20H26O2/c1-2-3-4-5-6-7-20(16-8-12-18(21)13-9-16)17-10-14-19(22)15-11-17/h8-15,20-22H,2-7H2,1H3",C20H26O2,,,,,,NBKVULRGDSYCGP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.620,214-982-5,1239-04-9,"1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-phenethyl-2,6-methano-3-benzazocin-8-ol hydrobromide","6,11-dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol hydrobromide",Br.CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc4ccccc4,Br.CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc4ccccc4,"InChI=1/C22H27NO.BrH/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17;/h3-9,15-16,21,24H,10-14H2,1-2H3;1H",C22H27NO.BrH,,,,,,MNMGNPZLUMHSKK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.622,214-984-6,1239-45-8,"3,8-diamino-1-ethyl-6-phenylphenantridinium bromide","3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide",[Br-].CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,[Br-].CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,"InChI=1/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H",C21H20N3.Br,,,,,,ZMMJGEGLRURXTF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.633,214-996-1,1247-42-3,Meprednisone,"17,21-dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3",C22H28O5,,,,,,PIDANAQULIKBQS-RNUIGHNZSA-N,,,,,,,,,,,
100.013.635,214-998-2,1248-18-6,Sodium 2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate,sodium 2-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C20H14N2O4S.Na/c23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1",C20H14N2O4S.Na,,,,,,VVNRQZDDMYBBJY-UHFFFAOYSA-M,,,,,,,,,,,
100.013.643,215-007-6,1250-95-9,"5,6-a-epoxy-5-a-cholestan-3-ß-ol","5,6-epoxycholestan-3-ol",CC(C)CCCC(C)C1CCC2C3CC4OC45CC(O)CCC5(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CC4OC45CC(O)CCC5(C)C3CCC12C,"InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3",C27H46O2,,,,,,PRYIJAGAEJZDBO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.380,227-918-6,6035-94-5,"Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate","4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate",CC(=O)[O-].Nc1ccc(cc1)[N+](=C2C=CC(=C)C=C2)c3ccc(N)cc3,CC(=O)[O-].Nc1ccc(cc1)[N+](=C2C=CC(=C)C=C2)c3ccc(N)cc3,"InChI=1/C19H18N3.C2H4O2/c1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19;1-2(3)4/h2-13H,1,20-21H2;1H3,(H,3,4)/q+1;/p-1",C19H17N3.C2H4O2,,,,,,SGIXYNZZWNIPDX-UHFFFAOYSA-M,,,,,,,,,,,
100.025.384,227-922-8,6037-91-8,"Trifluoro(1,1,2,2-tetrafluoro-2-iodoethoxy)ethylene","1,1,2,2-tetrafluoro-2-iodoethyl trifluorovinyl ether",FC(=C(F)OC(F)(F)C(F)(F)I)F,FC(=C(F)OC(F)(F)C(F)(F)I)F,"InChI=1/C4F7IO/c5-1(6)2(7)13-4(10,11)3(8,9)12",C4F7IO,,,,,,OURRZLCUWZZPKV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.385,227-923-3,6038-19-3,DL-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2(3H)-one hydrochloride,Cl.NC1CCSC1=O,Cl.NC1CCSC1=O,"InChI=1/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H",C4H7NOS.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17926,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.385,ZSEGSUBKDDEALH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.387,227-925-4,6040-49-9,"6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-en-3-ol","6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-en-3-ol",C\\C\\1=C\\CC(O)C(=C)C2CC(C)(C)C2CC1,C\C\1=C\CC(O)C(=C)C2CC(C)(C)C2CC1,"InChI=1/C15H24O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h6,12-14,16H,2,5,7-9H2,1,3-4H3",C15H24O,,,,,,VMVYOFDWHSLKNP-POHAHGRESA-N,,,,,,,,,,,
100.025.388,227-927-5,6041-23-2,Methyl N-cyanobenzimidate,methyl N-cyanobenzenecarboximidoate,COC(=NC#N)c1ccccc1,COC(=NC#N)c1ccccc1,"InChI=1/C9H8N2O/c1-12-9(11-7-10)8-5-3-2-4-6-8/h2-6H,1H3",C9H8N2O,,,,,,HUJTXVINLQYRNH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.397,227-936-4,6044-68-4,"3,3-dimethoxypropene","3,3-dimethoxyprop-1-ene",COC(OC)C=C,COC(OC)C=C,"InChI=1/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3",C5H10O2,,,,,,OBWGMYALGNDUNM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.844,226-228-2,5331-32-8,"Exo-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane","2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane",CO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3",C11H20O,,,,,,ZRHVOKYSOWTPIG-ATZCPNFKSA-N,,,,,,,,,,,
100.023.846,226-230-3,5331-43-1,Benzyl carbazate,benzyl hydrazinecarboxylate,NNC(=O)OCc1ccccc1,NNC(=O)OCc1ccccc1,"InChI=1/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)",C8H10N2O2,,,,,,RXUBZLMIGSAPEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.848,226-232-4,5331-64-6,"1-phenylpentane-1,3-dione","1-phenylpentane-1,3-dione",CCC(=O)CC(=O)c1ccccc1,CCC(=O)CC(=O)c1ccccc1,"InChI=1/C11H12O2/c1-2-10(12)8-11(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C11H12O2,,,,,,NKXMBTKMOVMBPH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.851,226-236-6,9/06/5332,4-bromobutyronitrile,4-bromobutanenitrile,BrCCCC#N,BrCCCC#N,InChI=1/C4H6BrN/c5-3-1-2-4-6/h1-3H2,C4H6BrN,,,,,,CQPGDDAKTTWVDD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.852,226-237-1,5332-24-1,3-bromoquinoline,3-bromoquinoline,Brc1cnc2ccccc2c1,Brc1cnc2ccccc2c1,InChI=1/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,C9H6BrN,,,,,,ZGIKWINFUGEQEO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.861,226-247-6,5333-84-6,"1,2,3,6-tetrahydro-3-methylphthalic anhydride","4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC1C=CCC2C1C(=O)OC2=O,CC1C=CCC2C1C(=O)OC2=O,"InChI=1/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3",C9H10O3,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7298,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.861,XPEKVUUBSDFMDR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.527,225-880-5,5131-70-4,"4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-(m-sulphoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]",OCCN(CCO)c1nc(Nc2cccc(c2)S(=O)(=O)O)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)O)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,OCCN(CCO)c1nc(Nc2cccc(c2)S(=O)(=O)O)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)O)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,"InChI=1/C40H44N12O16S4/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62/h1-12,21-24,53-56H,13-20H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50)",C40H44N12O16S4,,,,,,NCIZQSIIFQYLMW-BQYQJAHWSA-N,,,,,,,,,,,
100.023.530,225-883-1,5135-30-8,Adenosine 5'-(toluene-4-sulphonate),5'-O-[(4-methylphenyl)sulfonyl]adenosine,Cc1ccc(cc1)S(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34,Cc1ccc(cc1)S(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34,"InChI=1/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)27-6-11-13(23)14(24)17(28-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)",C17H19N5O6S,,,,,,CAXLRAROZXYOHH-LSCFUAHRSA-N,,,,,,,,,,,
100.023.537,225-891-5,5137-28-0,2-ethylhexyl nonyl sebacate,2-ethylhexyl nonyl sebacate,CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C27H52O4/c1-4-7-9-10-13-16-19-23-30-26(28)21-17-14-11-12-15-18-22-27(29)31-24-25(6-3)20-8-5-2/h25H,4-24H2,1-3H3",C27H52O4,,,,,,NWWSFSWXVYZYQB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.543,225-897-8,5137-70-2,Dodecylphosphonic acid,dodecylphosphonic acid,CCCCCCCCCCCCP(=O)(O)O,CCCCCCCCCCCCP(=O)(O)O,"InChI=1/C12H27O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H2,13,14,15)",C12H27O3P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17216,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.543,SVMUEEINWGBIPD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.544,225-898-3,5138-18-1,Sulphosuccinic acid,2-sulfosuccinic acid,OC(=O)CC(C(=O)O)S(=O)(=O)O,OC(=O)CC(C(=O)O)S(=O)(=O)O,"InChI=1/C4H6O7S/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)",C4H6O7S,,,,,,ULUAUXLGCMPNKK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.547,225-901-8,5138-91-0,Sodium 2-chlorotoluene-4-sulphonate,sodium 3-chloro-4-methylbenzenesulfonate,[Na+].Cc1ccc(cc1Cl)S(=O)(=O)[O-],[Na+].Cc1ccc(cc1Cl)S(=O)(=O)[O-],"InChI=1/C7H7ClO3S.Na/c1-5-2-3-6(4-7(5)8)12(9,10)11;/h2-4H,1H3,(H,9,10,11);/q;+1/p-1",C7H7ClO3S.Na,,,,,,FQFDFCOTXFCZMB-UHFFFAOYSA-M,,,,,,,,,,,
100.023.551,225-906-5,5141-20-8,"Dihydrogen (ethyl)[4-[p-[ethyl(m-sulphonatobenzyl)amino]-p'-sulphonatobenzhydrylene]cyclohexa-2,5-dien-1-ylidene](m-sulphonatobenzyl)ammonium, disodium salt","disodium 3-[(ethyl{4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(4-sulfonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene}ammonio)methyl]benzenesulfonate",[Na+].[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(cc5)S(=O)(=O)[O-],[Na+].[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(cc5)S(=O)(=O)[O-],"InChI=1/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2",C37H36N2O9S3.2Na,,,,,,DGOBMKYRQHEFGQ-UHFFFAOYSA-L,,,,,,,,,,,
100.023.552,225-907-0,5142-22-3,1-methyladenine,1-methyl-1H-purin-6-amine,Cn1cnc2ncnc2c1N,Cn1cnc2ncnc2c1N,"InChI=1/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3",C6H7N5,,,,,,HPZMWTNATZPBIH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.230,217-852-6,1984-58-3,"2,5-dichloroanisole","1,4-dichloro-2-methoxybenzene",COc1cc(Cl)ccc1Cl,COc1cc(Cl)ccc1Cl,"InChI=1/C7H6Cl2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3",C7H6Cl2O,,,,,,QKMNFFSBZRGHDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.235,217-857-3,1985-84-8,"Bis[(3,4-epoxy-6-methylcyclohexyl)methyl] adipate",bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] adipate,CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC3CC4OC4CC3C,CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC3CC4OC4CC3C,"InChI=1/C22H34O6/c1-13-7-17-19(27-17)9-15(13)11-25-21(23)5-3-4-6-22(24)26-12-16-10-20-18(28-20)8-14(16)2/h13-20H,3-12H2,1-2H3",C22H34O6,,,,,,LMMDJMWIHPEQSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.241,217-864-1,1988-89-2,p-(1-phenylethyl)phenol,4-(1-phenylethyl)phenol,CC(c1ccccc1)c2ccc(O)cc2,CC(c1ccccc1)c2ccc(O)cc2,"InChI=1/C14H14O/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11,15H,1H3",C14H14O,,,,,,XHASMJXNUHCHBL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.244,217-867-8,1989-52-2,Cholest-5-en-3ß-yl myristate,cholest-5-en-3-yl myristate,CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3",C41H72O2,,,,,,SJDMTGSQPOFVLR-ZPQCIJQQSA-N,,,,,,,,,,,
100.016.246,217-869-9,1990-11-0,Cholest-5-en-3-ß-yl cinnamate,cholest-5-en-3-yl 3-phenylacrylate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)\\C=C\\c5ccccc5,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)\C=C\c5ccccc5,"InChI=1/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3",C36H52O2,,,,,,FESYLMLHRKCTFF-MFLJIVHPSA-N,,,,,,,,,,,
100.017.755,219-530-0,2455-71-2,"1,3-bis(3-phenoxyphenoxy)benzene","1,1'-[1,3-phenylenebis(oxy)]bis(3-phenoxybenzene)",O(c1ccccc1)c2cccc(Oc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)c2,O(c1ccccc1)c2cccc(Oc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)c2,InChI=1/C30H22O4/c1-3-10-23(11-4-1)31-25-14-7-16-27(20-25)33-29-18-9-19-30(22-29)34-28-17-8-15-26(21-28)32-24-12-5-2-6-13-24/h1-22H,C30H22O4,,,,,,KOKDSALTQSQPDH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.579,221-536-3,3137-83-5,N-(3-isothiocyanatophenyl)acetamide,N-(3-isothiocyanatophenyl)acetamide,O=C(C)Nc1cc(ccc1)\\N=C=S,O=C(C)Nc1cc(ccc1)\N=C=S,"InChI=1/C9H8N2OS/c1-7(12)11-9-4-2-3-8(5-9)10-6-13/h2-5H,1H3,(H,11,12)",C9H8N2OS,,,,,,HLWVGQKSSIHUAX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.580,221-537-9,3138-42-9,Dipentyl hydrogen phosphate,dipentyl hydrogen phosphate,CCCCCOP(=O)(O)OCCCCC,CCCCCOP(=O)(O)OCCCCC,"InChI=1/C10H23O4P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3,(H,11,12)",C10H23O4P,,,,,,WJZUIWBZDGBLKK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.585,221-543-1,6/12/3141,Triethyl arsenite,triethyl arsenite,CCO[As](OCC)OCC,CCO[As](OCC)OCC,"InChI=1/C6H15AsO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3",C6H15AsO3,,,,,,BUZKVHDUZDJKHI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.589,221-547-3,3141-27-3,"2,5-dibromothiophene","2,5-dibromothiophene",Brc1ccc(Br)s1,Brc1ccc(Br)s1,InChI=1/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H,C4H2Br2S,,,,,,KBVDUUXRXJTAJC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.593,221-552-0,3142-72-1,2-methylpent-2-en-1-oic acid,2-methylpent-2-enoic acid,CC(=CCC)C(O)=O,CC(=CCC)C(O)=O,"InChI=1/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)",C6H10O2,,,,,,JJYWRQLLQAKNAD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.598,221-557-8,3145-86-6,a-iodo-p-nitrotoluene,1-(iodomethyl)-4-nitrobenzene,[O-][N+](=O)c1ccc(CI)cc1,[O-][N+](=O)c1ccc(CI)cc1,"InChI=1/C7H6INO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2",C7H6INO2,,,,,,INKNHBKFSPIMKS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.611,221-571-4,3147-62-4,"3,5-dihydroxybenzamide","3,5-dihydroxybenzamide",NC(=O)c1cc(O)cc(O)c1,NC(=O)c1cc(O)cc(O)c1,"InChI=1/C7H7NO3/c8-7(11)4-1-5(9)3-6(10)2-4/h1-3,9-10H,(H2,8,11)",C7H7NO3,,,,,,PLYYMFBDRBSPJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.613,221-574-0,3147-76-0,2-(2H-benzotriazol-2-yl)-4-tert-butylphenol,2-(2H-benzotriazol-2-yl)-4-tert-butylphenol,CC(C)(C)c1ccc(O)c(c1)n2nc3ccccc3n2,CC(C)(C)c1ccc(O)c(c1)n2nc3ccccc3n2,"InChI=1/C16H17N3O/c1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19/h4-10,20H,1-3H3",C16H17N3O,,,,,,WXHVQMGINBSVAY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.618,221-579-8,3149-28-8,Methoxypyrazine,2-methoxypyrazine,COc1cnccn1,COc1cnccn1,"InChI=1/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3",C5H6N2O,,,,,,WKSXRWSOSLGSTN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.619,221-580-3,3149-62-0,"Methyl 2,3,4,6-tetra-O-methyl-a-D-mannopyranoside","methyl 2,3,4,6-tetra-O-methyl-alpha-D-mannopyranoside",COC[C@H]1O[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]1OC,COC[C@H]1O[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]1OC,"InChI=1/C11H22O6/c1-12-6-7-8(13-2)9(14-3)10(15-4)11(16-5)17-7/h7-11H,6H2,1-5H3",C11H22O6,,,,,,ZYGZAHUNAGVTEC-UVOCVTCTSA-N,,,,,,,,,,,
100.018.132,219-944-1,2580-58-7,"Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one","5-(2-hydroxyethyl)-1,3,5-triazinan-2-one",OCCN1CNC(=O)NC1,OCCN1CNC(=O)NC1,"InChI=1/C5H11N3O2/c9-2-1-8-3-6-5(10)7-4-8/h9H,1-4H2,(H2,6,7,10)",C5H11N3O2,,,,,,XWAUFZXBGKOTGL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.484,225-832-3,5107-59-5,4-[[(tributylstannyl)oxy]carbonyl]pyridine,4-{[(tributylstannyl)oxy]carbonyl}pyridine,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccncc1,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccncc1,"InChI=1/C6H5NO2.3C4H9.Sn/c8-6(9)5-1-3-7-4-2-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H31NO2Sn/c1-4-7-14-22(15-8-5-2,16-9-6-3)21-18(20)17-10-12-19-13-11-17/h10-13H,4-9,14-16H2,1-3H3",C18H31NO2Sn,,,,,,UIMCSZIJWRJQSC-UHFFFAOYSA-M,,,,,,,,,,,
100.023.519,225-871-6,5129-47-5,Isopropyl 2-ethylbutyrate,isopropyl 2-ethylbutanoate,CCC(CC)C(=O)OC(C)C,CCC(CC)C(=O)OC(C)C,"InChI=1/C9H18O2/c1-5-8(6-2)9(10)11-7(3)4/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,RQVSMUXCVPHBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.521,225-873-7,5129-68-0,"(±)-2,3-bis(palmitoyloxy)propyl dihydrogen phosphate","3-(phosphonooxy)propane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)",C35H69O8P,,,,,,PORPENFLTBBHSG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.522,225-874-2,5130-24-5,Vinyl chloroformate,vinyl chlorocarbonate,ClC(=O)OC=C,ClC(=O)OC=C,"InChI=1/C3H3ClO2/c1-2-6-3(4)5/h2H,1H2",C3H3ClO2,,,,,,PQLFROTZSIMBKR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.192,214-511-3,1138-47-2,"(trans)-1,1'-(1,2-cyclopropanediyl)bisbenzene","1,1'-cyclopropane-1,2-diyldibenzene",C1C(C1c2ccccc2)c3ccccc3,C1C(C1c2ccccc2)c3ccccc3,"InChI=1/C15H14/c1-3-7-12(8-4-1)14-11-15(14)13-9-5-2-6-10-13/h1-10,14-15H,11H2",C15H14,,,,,,ZSIYTDQNAOYUNE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.195,214-515-5,1138-60-9,"Isopropyl 3,4,5-trihydroxybenzoate","isopropyl 3,4,5-trihydroxybenzoate",CC(C)OC(=O)c1cc(O)c(O)c(O)c1,CC(C)OC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C10H12O5/c1-5(2)15-10(14)6-3-7(11)9(13)8(12)4-6/h3-5,11-13H,1-2H3",C10H12O5,,,,,,TXGSOSAONMOPDL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.197,214-517-6,1138-99-4,Trifluorodiphenylphosphorane,trifluoro(diphenyl)phosphorane,FP(F)(F)(c1ccccc1)c2ccccc2,FP(F)(F)(c1ccccc1)c2ccccc2,"InChI=1/C12H10F3P/c13-16(14,15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10F3P,,,,,,CVYZCIFAHYJSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.211,214-532-8,1142-20-7,N-benzyloxycarbonyl-L-alanine,N-[(benzyloxy)carbonyl]-L-alanine,C[C@H](NC(=O)OCc1ccccc1)C(=O)O,C[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)",C11H13NO4,,,,,,TYRGLVWXHJRKMT-QMMMGPOBSA-N,,,,,,,,,,,
100.013.213,214-534-9,1142-39-8,4-hexyloxybenzoic acid,4-(hexyloxy)benzoic acid,CCCCCCOc1ccc(cc1)C(=O)O,CCCCCCOc1ccc(cc1)C(=O)O,"InChI=1/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)",C13H18O3,,,,,,HBQUXMZZODHFMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.219,214-541-7,1143-82-4,Ethyl 5-methyl-3-phenylisoxazole-4-carboxylate,ethyl 5-methyl-3-phenylisoxazole-4-carboxylate,CCOC(=O)c1c(C)onc1c2ccccc2,CCOC(=O)c1c(C)onc1c2ccccc2,"InChI=1/C13H13NO3/c1-3-16-13(15)11-9(2)17-14-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3",C13H13NO3,,,,,,WFAYOALRVTWYQB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.224,214-546-4,1145-80-8,N-(benzyloxycarbonyl)-L-serine,N-[(benzyloxy)carbonyl]-L-serine,OC[C@H](NC(=O)OCc1ccccc1)C(=O)O,OC[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)",C11H13NO5,,,,,,GNIDSOFZAKMQAO-VIFPVBQESA-N,,,,,,,,,,,
100.013.230,214-553-2,1146-99-2,Clorindione,"2-(4-chlorophenyl)-1H-indene-1,3(2H)-dione",Clc1ccc(cc1)C2C(=O)c3ccccc3C2=O,Clc1ccc(cc1)C2C(=O)c3ccccc3C2=O,"InChI=1/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",C15H9ClO2,,,,,,NJDUWAXIURWWLN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.231,214-554-8,1147-43-9,2-(2-aminobenzoyl)benzoic acid,2-(2-aminobenzoyl)benzoic acid,Nc1ccccc1C(=O)c2ccccc2C(=O)O,Nc1ccccc1C(=O)c2ccccc2C(=O)O,"InChI=1/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)",C14H11NO3,,,,,,KORKIRUGUNPQML-UHFFFAOYSA-N,,,,,,,,,,,
100.013.233,214-556-9,1147-62-2,4'-methyl-2-(1-pyrrolidinyl)valerophenone hydrochloride,1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one hydrochloride,Cl.CCCC(N1CCCC1)C(=O)c2ccc(C)cc2,Cl.CCCC(N1CCCC1)C(=O)c2ccc(C)cc2,"InChI=1/C16H23NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H",C16H23NO.ClH,,,,,,MWRACNBZNVAJHE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.235,214-559-5,1148-79-4,"2,2':6',2''-terpyridine","2,2':6',2''-terpyridine",c1ccc(nc1)c2cccc(n2)c3ccccn3,c1ccc(nc1)c2cccc(n2)c3ccccn3,InChI=1/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H,C15H11N3,,,,,,DRGAZIDRYFYHIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.237,214-561-6,1149-23-1,"Diethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(C)NC(=C(C1)C(=O)OCC)C,CCOC(=O)C1=C(C)NC(=C(C1)C(=O)OCC)C,"InChI=1/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3",C13H19NO4,,,,,,LJXTYJXBORAIHX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.409,227-950-0,6050-13-1,"Biphenyl-2,2'-dicarboxylic anhydride","2',2''-(oxydicarbonyl)dibiphenyl-2-carboxylic acid",OC(=O)c1ccccc1c2ccccc2C(=O)OC(=O)c3ccccc3c4ccccc4C(=O)O,OC(=O)c1ccccc1c2ccccc2C(=O)OC(=O)c3ccccc3c4ccccc4C(=O)O,"InChI=1/C28H18O7/c29-25(30)21-13-5-1-9-17(21)19-11-3-7-15-23(19)27(33)35-28(34)24-16-8-4-12-20(24)18-10-2-6-14-22(18)26(31)32/h1-16H,(H,29,30)(H,31,32)",C14H8O3,,,,,,RKTZIOJSJJTPIL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.411,227-952-1,6050-68-6,"4-(mercaptomethyl)oxazolidine-2,5-dione","4-(sulfanylmethyl)-1,3-oxazolidine-2,5-dione",SCC1NC(=O)OC1=O,SCC1NC(=O)OC1=O,"InChI=1/C4H5NO3S/c6-3-2(1-9)5-4(7)8-3/h2,9H,1H2,(H,5,7)",C4H5NO3S,,,,,,USAOVMCIRGPAQF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.414,227-955-8,2/03/6051,Hexahydro-3H-benzofuran-2-one,hexahydro-1-benzofuran-2(3H)-one,O=C1CC2CCCCC2O1,O=C1CC2CCCCC2O1,"InChI=1/C8H12O2/c9-8-5-6-3-1-2-4-7(6)10-8/h6-7H,1-5H2",C8H12O2,,,,,,AQKZNTBBGPQPBG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.548,216-002-1,1470-57-1,2-hydroxy-5-methylbenzophenone,(2-hydroxy-5-methylphenyl)(phenyl)methanone,Cc1ccc(O)c(c1)C(=O)c2ccccc2,Cc1ccc(O)c(c1)C(=O)c2ccccc2,"InChI=1/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3",C14H12O2,,,,,,OQERFUGURPLBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.552,216-006-3,1470-94-6,Indan-5-ol,indan-5-ol,Oc1ccc2CCCc2c1,Oc1ccc2CCCc2c1,"InChI=1/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2",C9H10O,,,,,,PEHSSTUGJUBZBI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.553,216-007-9,1471-16-5,"1,4-bis(allyloxy)butane","1,4-bis(allyloxy)butane",C=CCOCCCCOCC=C,C=CCOCCCCOCC=C,"InChI=1/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4H,1-2,5-10H2",C10H18O2,,,,,,DOXPDQHPOSLLIL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.555,216-010-5,1471-18-7,"3,3'-[[2,2-bis[(allyloxy)methyl]-1,3-propanediyl]bis(oxy)]dipropene","3-{3-(allyloxy)-2,2-bis[(allyloxy)methyl]propoxy}prop-1-ene",C=CCOCC(COCC=C)(COCC=C)COCC=C,C=CCOCC(COCC=C)(COCC=C)COCC=C,"InChI=1/C17H28O4/c1-5-9-18-13-17(14-19-10-6-2,15-20-11-7-3)16-21-12-8-4/h5-8H,1-4,9-16H2",C17H28O4,,,,,,TYMYJUHDFROXOO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.558,216-013-1,1473-73-0,N-(morpholinomethyl)pyrazinecarboxamide monohydrochloride,N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide hydrochloride,Cl.O=C(NCN1CCOCC1)c2cnccn2,Cl.O=C(NCN1CCOCC1)c2cnccn2,"InChI=1/C10H14N4O2.ClH/c15-10(9-7-11-1-2-12-9)13-8-14-3-5-16-6-4-14;/h1-2,7H,3-6,8H2,(H,13,15);1H",C10H14N4O2.ClH,,,,,,CQTFUUAUHIMFAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.561,216-016-8,1474-78-8,Ethyl diethoxyphosphinylformate,ethyl diethoxyphosphinecarboxylate oxide,CCOC(=O)P(=O)(OCC)OCC,CCOC(=O)P(=O)(OCC)OCC,"InChI=1/C7H15O5P/c1-4-10-7(8)13(9,11-5-2)12-6-3/h4-6H2,1-3H3",C7H15O5P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18140,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.561,NOJFJZZMRDSOLM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.569,216-025-7,1477-04-9,"Sodium 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenylacetate","sodium [4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetate",[Na+].Oc1ccc(Oc2c(I)cc(CC(=O)[O-])cc2I)cc1I,[Na+].Oc1ccc(Oc2c(I)cc(CC(=O)[O-])cc2I)cc1I,"InChI=1/C14H9I3O4.Na/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20;/h1-4,6,18H,5H2,(H,19,20);/q;+1/p-1",C14H9I3O4.Na,,,,,,BBBAIWCYEJXUMH-UHFFFAOYSA-M,,,,,,,,,,,
100.014.571,216-027-8,1477-39-0,Noracymethadol,"1-ethyl-4-(methylamino)-2,2-diphenylpentyl acetate",CCC(OC(=O)C)C(CC(C)NC)(c1ccccc1)c2ccccc2,CCC(OC(=O)C)C(CC(C)NC)(c1ccccc1)c2ccccc2,"InChI=1/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3",C22H29NO2,,,,,,VWCUGCYZZGRKEE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.572,216-028-3,1477-42-5,4-methylbenzothiazol-2-ylamine,"4-methyl-1,3-benzothiazol-2-amine",Cc1cccc2sc(N)nc12,Cc1cccc2sc(N)nc12,"InChI=1/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)",C8H8N2S,,,,,,GRIATXVEXOFBGO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.573,216-029-9,1477-49-2,Indol-3-ylglyoxylic acid,1H-indol-3-yl(oxo)acetic acid,OC(=O)C(=O)c1c[nH]c2ccccc12,OC(=O)C(=O)c1c[nH]c2ccccc12,"InChI=1/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)",C10H7NO3,,,,,,DWLVFWDCSFTDOD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.579,216-036-7,1478-61-1,"4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol","4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol",Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F,Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F,"InChI=1/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H",C15H10F6O2,,,,,,ZFVMWEVVKGLCIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.585,216-043-5,1482-62-8,1-(4-chlorophenyl)-3-cyanoguanidine,1-(4-chlorophenyl)-3-cyanoguanidine,Clc1ccc(NC(=N)NC#N)cc1,Clc1ccc(NC(=N)NC#N)cc1,"InChI=1/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13)",C8H7ClN4,,,,,,JMEJOUCPQDFPFK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.586,216-044-0,1482-99-1,3-[(aminoiminomethyl)amino]-L-alanine monohydrochloride,3-carbamimidamido-L-alanine hydrochloride,Cl.N[C@@H](CNC(=N)N)C(=O)O,Cl.N[C@@H](CNC(=N)N)C(=O)O,"InChI=1/C4H10N4O2.ClH/c5-2(3(9)10)1-8-4(6)7;/h2H,1,5H2,(H,9,10)(H4,6,7,8);1H",C4H10N4O2.ClH,,,,,,ZOXYHKHLLCDEAX-DKWTVANSSA-N,,,,,,,,,,,
100.023.561,225-917-5,5145-99-3,Ethyl isopropyl sulphide,2-(ethylsulfanyl)propane,CCSC(C)C,CCSC(C)C,"InChI=1/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H3",C5H12S,,,,,,NZUQQADVSXWVNW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.562,225-918-0,5146-66-7,"3,7-dimethylocta-2,6-dienenitrile","3,7-dimethylocta-2,6-dienenitrile",C\\C(C)=C\\CCC(C)=CC#N,C\C(C)=C\CCC(C)=CC#N,"InChI=1/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3",C10H15N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18859,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.562,HLCSDJLATUNSSI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.563,225-919-6,5146-88-3,"2-ethyl-4,5-dihydro-4,4-dimethyloxazole","2-ethyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole",CCC1=NC(C)(C)CO1,CCC1=NC(C)(C)CO1,"InChI=1/C7H13NO/c1-4-6-8-7(2,3)5-9-6/h4-5H2,1-3H3",C7H13NO,,,,,,FGURMUFTHTVTAL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.564,225-920-1,5149-72-4,"2-[4-[(1,3-dioxo-3-phenylpropyl)amino]phenyl]-1-octadecyl-1H-benzimidazole-5-sulphonic acid",1-octadecyl-2-{4-[(3-oxo-3-phenylpropanoyl)amino]phenyl}-1H-benzimidazole-5-sulfonic acid,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(NC(=O)CC(=O)c4ccccc4)cc3,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(NC(=O)CC(=O)c4ccccc4)cc3,"InChI=1/C40H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-43-37-28-27-35(49(46,47)48)30-36(37)42-40(43)33-23-25-34(26-24-33)41-39(45)31-38(44)32-21-18-17-19-22-32/h17-19,21-28,30H,2-16,20,29,31H2,1H3,(H,41,45)(H,46,47,48)",C40H53N3O5S,,,,,,ZCDJHOQJPIXSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.250,214-575-2,1154-12-7,"(dimethyl)[3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropyl]ammonium chloride","N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropan-1-aminium chloride",[Cl-].C[NH+](C)CCC=C1c3ccsc3SCc2ccccc12,[Cl-].C[NH+](C)CCC=C1c3ccsc3SCc2ccccc12,"InChI=1/C17H19NS2.ClH/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17;/h3-4,6-9,11H,5,10,12H2,1-2H3;1H",C17H19NS2.ClH,,,,,,KTFGSVWWMYCIJB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.254,214-579-4,1154-92-3,2-isopropyl-5-methylcyclohexyl phenylacetate,2-isopropyl-5-methylcyclohexyl phenylacetate,CC(C)C1CCC(C)CC1OC(=O)Cc2ccccc2,CC(C)C1CCC(C)CC1OC(=O)Cc2ccccc2,"InChI=1/C18H26O2/c1-13(2)16-10-9-14(3)11-17(16)20-18(19)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3",C18H26O2,,,,,,GIFKSWTZIAVRIG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.269,214-596-7,1159-54-2,Tris(4-chlorophenyl)phosphine,tris(4-chlorophenyl)phosphine,Clc1ccc(cc1)P(c2ccc(Cl)cc2)c3ccc(Cl)cc3,Clc1ccc(cc1)P(c2ccc(Cl)cc2)c3ccc(Cl)cc3,InChI=1/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,C18H12Cl3P,,,,,,IQKSLJOIKWOGIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.270,214-597-2,1159-86-0,2-benzoylbenzophenone,"1,2-phenylenebis(phenylmethanone)",O=C(c1ccccc1)c2ccccc2C(=O)c3ccccc3,O=C(c1ccccc1)c2ccccc2C(=O)c3ccccc3,InChI=1/C20H14O2/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-14H,C20H14O2,,,,,,OJLABXSUFRIXFL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.273,214-600-7,1161-88-2,Sulfatolamide,4-(aminomethyl)benzenesulfonamide - 4-amino-N-carbamothioylbenzenesulfonamide (1:1),NCc1ccc(cc1)S(=O)(=O)N.NC(=S)NS(=O)(=O)c2ccc(N)cc2,NCc1ccc(cc1)S(=O)(=O)N.NC(=S)NS(=O)(=O)c2ccc(N)cc2,"InChI=1/C7H9N3O2S2.C7H10N2O2S/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13;8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,8H2,(H3,9,10,13);1-4H,5,8H2,(H2,9,10,11)",C7H10N2O2S.C7H9N3O2S2,,,,,,ZLYHTQKHXIVMLY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.278,214-605-4,1163-36-6,Clemizole hydrochloride,1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole hydrochloride,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,Cl.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,"InChI=1/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H",C19H20ClN3.ClH,,,,,,DNFMJYXRIMLMBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.279,214-607-5,1163-37-7,"1-benzyl-3-ethyl-6,7-dimethoxyisoquinolinium chloride","1-benzyl-3-ethyl-6,7-dimethoxyisoquinolinium chloride",[Cl-].CCc1cc2cc(OC)c(OC)cc2c(Cc3ccccc3)[nH+]1,[Cl-].CCc1cc2cc(OC)c(OC)cc2c(Cc3ccccc3)[nH+]1,"InChI=1/C20H21NO2.ClH/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14;/h5-9,11-13H,4,10H2,1-3H3;1H",C20H21NO2.ClH,,,,,,DULZSDGCXSLVAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.286,214-614-3,1165-28-2,"(20R)-5ß-pregnane-3a,17,20-triol","pregnane-3,17,20-triol",C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3",C21H36O3,,,,,,SCPADBBISMMJAW-OYMMSLOLSA-N,,,,,,,,,,,
100.023.869,226-256-5,3/08/5336,"D-ribono-1,4-lactone","3,4-dihydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one (non-preferred name)",OCC1OC(=O)C(O)C1O,OCC1OC(=O)C(O)C1O,"InChI=1/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2",C5H8O5,,,,,,CUOKHACJLGPRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.871,226-258-6,5336-74-3,"2-methylnonane-4,6-dione","2-methylnonane-4,6-dione",CCCC(=O)CC(=O)CC(C)C,CCCC(=O)CC(=O)CC(C)C,"InChI=1/C10H18O2/c1-4-5-9(11)7-10(12)6-8(2)3/h8H,4-7H2,1-3H3",C10H18O2,,,,,,DDCLOUWVUPDZCM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.135,219-947-8,2580-71-4,Succinaldehyde dioxime,succinaldehyde dioxime,O\\N=C\\CC\\C=N\\O,O\N=C\CC\C=N\O,"InChI=1/C4H8N2O2/c7-5-3-1-2-4-6-8/h3-4,7-8H,1-2H2",C4H8N2O2,,,,,,SVENZWQXLIIAMN-GGWOSOGESA-N,,,,,,,,,,,
100.018.137,219-949-9,2580-78-1,"2-(3-(4-amino-9,10-dihydro-3-sulpho-9,10-dioxoanthracen-4-yl)aminobenzenesulphonyl)vinyl) disodium sulphate","disodium 1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H18N2O11S3.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14243,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.137,KUIXZSYWBHSYCN-UHFFFAOYSA-L,,,,,,,,,,,
100.018.147,219-960-9,2583-80-4,"Disodium 2-[4-styryl-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-7-sulphonate","disodium 2-[4-(2-phenylvinyl)-3-sulfonatophenyl]-2H-naphtho[1,2-d][1,2,3]triazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(ccc3nn(nc23)c4ccc(\\C=C\\c5ccccc5)c(c4)S(=O)(=O)[O-])c1,[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(ccc3nn(nc23)c4ccc(\C=C\c5ccccc5)c(c4)S(=O)(=O)[O-])c1,"InChI=1/C24H17N3O6S2.2Na/c28-34(29,30)20-11-12-21-18(14-20)9-13-22-24(21)26-27(25-22)19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16;;/h1-15H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C24H17N3O6S2.2Na,,,,,,OOGLKQUXARSVJQ-KMXZHCNGSA-L,,,,,,,,,,,
100.018.152,219-966-1,2586-62-1,1-bromo-2-methylnaphthalene,1-bromo-2-methylnaphthalene,Cc1ccc2ccccc2c1Br,Cc1ccc2ccccc2c1Br,"InChI=1/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3",C11H9Br,,,,,,CMIMBQIBIZZZHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.159,219-974-5,7/01/2589,"2,4,6-tris(oxiranylmethoxy)-1,3,5-triazine","2,4,6-tris(oxiran-2-ylmethoxy)-1,3,5-triazine",C(Oc1nc(OCC2CO2)nc(OCC3CO3)n1)C4CO4,C(Oc1nc(OCC2CO2)nc(OCC3CO3)n1)C4CO4,"InChI=1/C12H15N3O6/c1-7(16-1)4-19-10-13-11(20-5-8-2-17-8)15-12(14-10)21-6-9-3-18-9/h7-9H,1-6H2",C12H15N3O6,,,,,,BLPURQSRCDKZNX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.164,219-979-2,2589-73-3,4'-hydroxyoctanophenone,1-(4-hydroxyphenyl)octan-1-one,CCCCCCCC(=O)c1ccc(O)cc1,CCCCCCCC(=O)c1ccc(O)cc1,"InChI=1/C14H20O2/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,15H,2-7H2,1H3",C14H20O2,,,,,,GPDYSJOGSNWMDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.340,216-873-8,1687-53-2,5-amino-2-methoxyphenol,5-amino-2-methoxyphenol,COc1ccc(N)cc1O,COc1ccc(N)cc1O,"InChI=1/C7H9NO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,8H2,1H3",C7H9NO2,,,,,,BLQFHJKRTDIZLX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.343,216-876-4,1687-65-6,5-ethyl-o-cresol,5-ethyl-2-methylphenol,CCc1ccc(C)c(O)c1,CCc1ccc(C)c(O)c1,"InChI=1/C9H12O/c1-3-8-5-4-7(2)9(10)6-8/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,AYGDIAGADYTJRY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.350,216-884-8,1689-89-0,Nitroxinil,4-hydroxy-3-iodo-5-nitrobenzonitrile,Oc1c(I)cc(cc1[N+](=O)[O-])C#N,Oc1c(I)cc(cc1[N+](=O)[O-])C#N,"InChI=1/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H",C7H3IN2O3,,,,,,SGKGVABHDAQAJO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.351,216-885-3,1689-99-2,"2,6-dibromo-4-cyanophenyl octanoate","2,6-dibromo-4-cyanophenyl octanoate",CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N,CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N,"InChI=1/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3",C15H17Br2NO2,,,,,,DQKWXTIYGWPGOO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.352,216-886-9,1691-13-0,"1,2-difluoroethylene","1,2-difluoroethene",F\\C=C\\F,F\C=C\F,InChI=1/C2H2F2/c3-1-2-4/h1-2H,C2H2F2,,,,,,WFLOTYSKFUPZQB-OWOJBTEDSA-N,,,,,,,,,,,
100.015.356,216-891-6,1692-54-2,"Dichloromethyl[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane","(dichloromethyl)[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane",FC(F)C(F)(F)OCCC[SiH2]C(Cl)Cl,FC(F)C(F)(F)OCCC[SiH2]C(Cl)Cl,"InChI=1/C6H10Cl2F4OSi/c7-5(8)14-3-1-2-13-6(11,12)4(9)10/h4-5H,1-3,14H2",C6H10Cl2F4OSi,,,,,,XGVDMGOCVWAONZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.359,216-894-2,1693-37-4,Parapropamol,N-(4-hydroxyphenyl)propanamide,CCC(=O)Nc1ccc(O)cc1,CCC(=O)Nc1ccc(O)cc1,"InChI=1/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)",C9H11NO2,,,,,,SSMYTAQHMUHRSK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.360,216-895-8,1693-44-3,"2,2,4,4,6,6-hexamethyl-8,8-diphenylcyclotetrasiloxane","2,2,4,4,6,6-hexamethyl-8,8-diphenyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(C)O[Si](C)(C)O[Si](O[Si](C)(C)O1)(c2ccccc2)c3ccccc3,C[Si]1(C)O[Si](C)(C)O[Si](O[Si](C)(C)O1)(c2ccccc2)c3ccccc3,"InChI=1/C18H28O4Si4/c1-23(2)19-24(3,4)21-26(22-25(5,6)20-23,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,1-6H3",C18H28O4Si4,,,,,,BOIFXPDTOHPTOD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.364,216-900-3,1694-06-0,N-(aminocarbonyl)-4-methylbenzenesulphonamide,N-carbamoyl-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)NC(=O)N,Cc1ccc(cc1)S(=O)(=O)NC(=O)N,"InChI=1/C8H10N2O3S/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",C8H10N2O3S,,,,,,RUTYWCZSEBLPAK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.366,216-902-4,1694-29-7,"3-chloropentane-2,4-dione","3-chloropentane-2,4-dione",CC(=O)C(Cl)C(=O)C,CC(=O)C(Cl)C(=O)C,"InChI=1/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3",C5H7ClO2,,,,,,VLRGXXKFHVJQOL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.813,226-193-3,5324-30-1,Diethyl (2-bromoethyl)phosphonate,diethyl (2-bromoethyl)phosphonate,CCOP(=O)(CCBr)OCC,CCOP(=O)(CCBr)OCC,"InChI=1/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3",C6H14BrO3P,,,,,,PINITSMLVXAASM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.814,226-194-9,5324-47-0,Sodium ethanesulphonate,sodium ethanesulfonate,[Na+].CCS(=O)(=O)[O-],[Na+].CCS(=O)(=O)[O-],"InChI=1/C2H6O3S.Na/c1-2-6(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1",C2H6O3S.Na,,,,,,KQFAFFYKLIBKDE-UHFFFAOYSA-M,,,,,,,,,,,
100.023.825,226-207-8,5326-92-1,3-methylbutyl chloroacetate,3-methylbutyl chloroacetate,CC(C)CCOC(=O)CCl,CC(C)CCOC(=O)CCl,"InChI=1/C7H13ClO2/c1-6(2)3-4-10-7(9)5-8/h6H,3-5H2,1-2H3",C7H13ClO2,,,,,,UZQBACINTKFBSX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.836,226-219-3,5329-29-3,Triaminoguanidine hydrochloride,triazane-2-carbohydrazonamide hydrochloride,Cl.N\\N=C(/N)\\N(N)N,Cl.N\N=C(/N)\N(N)N,"InChI=1/CH8N6.ClH/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H",CH8N6.ClH,,,,,,VYTRGRLCKXQCED-UHFFFAOYSA-N,,,,,,,,,,,
100.023.841,226-225-6,5330-38-1,5-chlorosalicyl alcohol,4-chloro-2-(hydroxymethyl)phenol,OCc1cc(Cl)ccc1O,OCc1cc(Cl)ccc1O,"InChI=1/C7H7ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2",C7H7ClO2,,,,,,AFPSETMCMFRVPG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.859,226-245-5,5333-63-1,"2,2-dimethylpropane-1,3-diyl dibutyrate","2,2-dimethylpropane-1,3-diyl dibutanoate",CCCC(=O)OCC(C)(C)COC(=O)CCC,CCCC(=O)OCC(C)(C)COC(=O)CCC,"InChI=1/C13H24O4/c1-5-7-11(14)16-9-13(3,4)10-17-12(15)8-6-2/h5-10H2,1-4H3",C13H24O4,,,,,,XLEBGGMRMNRYRT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.865,226-251-8,5334-23-6,Tisopurine,"1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-thione",S=C1/N=C\\Nc2nncc12,S=C1/N=C\Nc2nncc12,"InChI=1/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",C5H4N4S,,,,,,PYAOPMWCFSVFOT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.009,215-409-1,1325-86-6,"a,a-bis[4-(diethylamino)phenyl]-4-(ethylamino)naphthalene-1-methanol",bis[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methanol,CCNc1ccc(c2ccccc12)C(O)(c3ccc(cc3)N(CC)CC)c4ccc(cc4)N(CC)CC,CCNc1ccc(c2ccccc12)C(O)(c3ccc(cc3)N(CC)CC)c4ccc(cc4)N(CC)CC,"InChI=1/C33H41N3O/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(37,25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5/h11-24,34,37H,6-10H2,1-5H3",C33H41N3O,,,,,,ZDMVLXPCERUWIR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.528,225-881-0,5132-19-4,Didodecyl oxalate,didodecyl oxalate,CCCCCCCCCCCCOC(=O)C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)C(=O)OCCCCCCCCCCCC,"InChI=1/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-23-29-25(27)26(28)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C26H50O4,,,,,,KYBDAUNESKLXAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.529,225-882-6,5132-75-2,Octyl heptanoate,octyl heptanoate,CCCCCCCCOC(=O)CCCCCC,CCCCCCCCOC(=O)CCCCCC,"InChI=1/C15H30O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h3-14H2,1-2H3",C15H30O2,,,,,,XAZROQGRFWCMBU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.531,225-884-7,5136-46-9,"N,N'-ethylenebismyristamide","N,N'-ethane-1,2-diylditetradecanamide",CCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCC,"InChI=1/C30H60N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(33)31-27-28-32-30(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,33)(H,32,34)",C30H60N2O2,,,,,,SZQRSDJOAHBRSI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.533,225-886-8,5136-48-1,N-[[(1-oxohexadecyl)amino]methyl]stearamide,N-[(palmitoylamino)methyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H70N2O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35(39)37-33-36-34(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-33H2,1-2H3,(H,36,38)(H,37,39)",C35H70N2O2,,,,,,XONGEJJHXSSSEK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.535,225-888-9,5136-55-0,Sodium N-methyl-N-(1-oxooctadecyl)aminoacetate,sodium [methyl(stearoyl)amino]acetate,CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O[Na],CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O[Na],"InChI=1/C21H41NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h3-19H2,1-2H3,(H,24,25);/q;+1/p-1",C21H41NO3.Na,,,,,,URBCOZYCCAFMJK-UHFFFAOYSA-M,,,,,,,,,,,
100.023.536,225-889-4,5136-76-5,Iron stearate,iron(2+) dioctadecanoate,[Fe+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Fe+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.xFe,,,,,,FRVCGRDGKAINSV-UHFFFAOYSA-L,,,,,,,,,,,
100.023.539,225-893-6,5137-45-1,1-ethoxy-2-methoxyethane,1-ethoxy-2-methoxyethane,CCOCCOC,CCOCCOC,"InChI=1/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3",C5H12O2,,,,,,CAQYAZNFWDDMIT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.541,225-895-7,5137-52-0,Pentyl phenylacetate,pentyl phenylacetate,CCCCCOC(=O)Cc1ccccc1,CCCCCOC(=O)Cc1ccccc1,"InChI=1/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3",C13H18O2,,,,,,LRVLBFSVAFUOGO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.549,225-903-9,5139-89-9,4-phenoxybutyryl chloride,4-phenoxybutanoyl chloride,ClC(=O)CCCOc1ccccc1,ClC(=O)CCCOc1ccccc1,"InChI=1/C10H11ClO2/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C10H11ClO2,,,,,,SYLRFDTUTMLVNM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.332,215-765-8,1403-66-3,Gentamicin,"4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-erythro-heptopyranoside",CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1,CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1,"InChI=1/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3",-,,,,,,CEAZRRDELHUEMR-URQXQFDESA-N,,,,,,,,,,,
100.014.350,215-785-7,1405-86-3,Glycyrrhizic acid,"30-hydroxy-11,30-dioxoolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid",CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(=O)O,CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(=O)O,"InChI=1/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)",C42H62O16,,,,,,LPLVUJXQOOQHMX-QWBHMCJMSA-N,,,,,,,,,,,
100.014.368,215-804-9,1407-47-2,Angiotensin,L-asparaginyl-L-arginylvalyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanine,CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)O,CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)O,"InChI=1/C49H70N14O11/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,64H,8-9,12-13,18-23,50H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55)",-,,,,,,JYPVVOOBQVVUQV-CGHBYZBKSA-N,,,,,,,,,,,
100.022.876,225-164-2,4696-49-5,(2-hydroxyethyl)ammonium octadecyl sulphate,2-hydroxyethanaminium octadecyl sulfate,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C18H38O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;3-1-2-4/h2-18H2,1H3,(H,19,20,21);4H,1-3H2",C18H38O4S.C2H7NO,,,,,,WWEBGUULMZVUBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.648,215-012-3,1254-78-0,Didecyl phenyl phosphite,didecyl phenyl phosphite,CCCCCCCCCCOP(OCCCCCCCCCC)Oc1ccccc1,CCCCCCCCCCOP(OCCCCCCCCCC)Oc1ccccc1,"InChI=1/C26H47O3P/c1-3-5-7-9-11-13-15-20-24-27-30(29-26-22-18-17-19-23-26)28-25-21-16-14-12-10-8-6-4-2/h17-19,22-23H,3-16,20-21,24-25H2,1-2H3",C26H47O3P,,,,,,NMAKPIATXQEXBT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.657,215-022-8,1259-69-4,"[R-(R*,R*)]-3,3'-dithiobis[2-amino-N-2-naphthylpropionamide]","N,N'-di-2-naphthylcystinamide",NC(CSSCC(N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc3ccc4ccccc4c3,NC(CSSCC(N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc3ccc4ccccc4c3,"InChI=1/C26H26N4O2S2/c27-23(25(31)29-21-11-9-17-5-1-3-7-19(17)13-21)15-33-34-16-24(28)26(32)30-22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-24H,15-16,27-28H2,(H,29,31)(H,30,32)",C26H26N4O2S2,,,,,,REEVAJUPLLWYBH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.418,227-960-5,5/11/6052,Ethylideneaniline,N-ethylideneaniline,CC=Nc1ccccc1,CC=Nc1ccccc1,"InChI=1/C8H9N/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H3",C8H9N,,,,,,BHGHXAOHFWSPNE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.422,227-964-7,6053-68-5,"R-1,c-2,c-3,c-4-cyclopentane-1,2:3,4-tetracarboxylic dianhydride","tetrahydro-1H-cyclopenta[1,2-c:3,4-c']difuran-1,3,4,6(3aH)-tetrone",O=C1OC(=O)C2C1CC3C2C(=O)OC3=O,O=C1OC(=O)C2C1CC3C2C(=O)OC3=O,"InChI=1/C9H6O6/c10-6-2-1-3-5(4(2)8(12)14-6)9(13)15-7(3)11/h2-5H,1H2",C9H6O6,,,,,,NLWBEORDOPDUPM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.429,227-972-0,6054-81-5,"Sodium 3-[(2,4-diaminophenyl)azo]-4-hydroxy-5-nitrobenzenesulphonate","sodium 3-[(2,4-diaminophenyl)diazenyl]-4-hydroxy-5-nitrobenzenesulfonate",[Na+].Oc2c(cc(cc2N=Nc1ccc(N)cc1N)S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc2c(cc(cc2N=Nc1ccc(N)cc1N)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C12H11N5O6S.Na/c13-6-1-2-9(8(14)3-6)15-16-10-4-7(24(21,22)23)5-11(12(10)18)17(19)20;/h1-5,18H,13-14H2,(H,21,22,23);/q;+1/p-1",C12H11N5O6S.Na,,,,,,BTNKHVPQGWBUCE-UHFFFAOYSA-M,,,,,,,,,,,
100.025.435,227-978-3,6055-69-2,Aconitine hydrochloride,"8-acetoxy-20-ethyl-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate hydrochloride",Cl.CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7,Cl.CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7,"InChI=1/C34H47NO11.ClH/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33;/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3;1H",C34H47NO11.ClH,,,,,,GTRQCTQDPIUIMX-SQLJJGNISA-N,,,,,,,,,,,
100.025.500,228-050-0,6099-57-6,Sodium 4-hydroxynaphthalene-1-sulphonate,sodium 4-hydroxynaphthalene-1-sulfonate,[Na+].Oc1ccc(c2ccccc12)S(=O)(=O)[O-],[Na+].Oc1ccc(c2ccccc12)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,IAAKNVCARVEIFS-UHFFFAOYSA-M,,,,,,,,,,,
100.025.501,228-051-6,6099-80-5,"2-tert-butyl-4,6-dinitroanisole","1-tert-butyl-2-methoxy-3,5-dinitrobenzene",COc1c(cc(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],COc1c(cc(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C11H14N2O5/c1-11(2,3)8-5-7(12(14)15)6-9(13(16)17)10(8)18-4/h5-6H,1-4H3",C11H14N2O5,,,,,,WDRYOUPJEPKJGH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.502,228-052-1,6099-86-1,Cyclohexylmethyl chloroformate,cyclohexylmethyl chlorocarbonate,ClC(=O)OCC1CCCCC1,ClC(=O)OCC1CCCCC1,"InChI=1/C8H13ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2",C8H13ClO2,,,,,,AOQONNCNKUWWRI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.503,228-053-7,5/04/6100,Dipotassium camphorate,dipotassium camphorate,[K+].[K+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-],[K+].[K+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-],"InChI=1/C10H16O4.2K/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14;;/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14);;/q;2*+1/p-2",C10H16O4.2K,,,,,,SHLDUUWCIZSISD-UHFFFAOYSA-L,,,,,,,,,,,
100.025.505,228-055-8,6104-30-9,"N,N''-(isobutylidene)diurea","N,N''-(2-methylpropane-1,1-diyl)diurea",CC(C)C(NC(=O)N)NC(=O)N,CC(C)C(NC(=O)N)NC(=O)N,"InChI=1/C6H14N4O2/c1-3(2)4(9-5(7)11)10-6(8)12/h3-4H,1-2H3,(H3,7,9,11)(H3,8,10,12)",C6H14N4O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1954,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.505,QFHMNFAUXJAINK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.506,228-056-3,6104-53-6,"Disodium 2'-[4-[[2,6-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate","disodium 2'-[4-({2,6-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]-6-methyl-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7ccc(O)c(N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c7O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7ccc(O)c(N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c7O,"InChI=1/C33H22N6O8S4.2Na/c1-17-2-12-25-30(31(17)51(45,46)47)49-33(35-25)19-5-13-23-27(16-19)48-32(34-23)18-3-6-20(7-4-18)37-39-28-26(40)15-14-24(29(28)41)38-36-21-8-10-22(11-9-21)50(42,43)44;;/h2-16,40-41H,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C33H22N6O8S4.2Na,,,,,,RZGZQZPIIISJQH-UHFFFAOYSA-L,,,,,,,,,,,
100.025.512,228-063-1,6106-18-9,"Sodium [1S-[1a,2ß(R*),4aß]]-1,2,3,4,4a,7-hexahydro-1-hydroxy-a,4a,8-trimethyl-7-oxonaphthalene-2-acetate","sodium 2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4,4a,7-hexahydronaphthalen-2-yl)propanoate",CC(C1CCC2(C)C=CC(=O)C(=C2C1O)C)C(=O)O[Na],CC(C1CCC2(C)C=CC(=O)C(=C2C1O)C)C(=O)O[Na],"InChI=1/C15H20O4.Na/c1-8(14(18)19)10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)17;/h5,7-8,10,13,17H,4,6H2,1-3H3,(H,18,19);/q;+1/p-1",C15H20O4.Na,,,,,,QSSKJSNGFQIMAP-UHFFFAOYSA-M,,,,,,,,,,,
100.025.513,228-064-7,6106-41-8,Sodium valerate,sodium valerate,[Na+].CCCCC(=O)[O-],[Na+].CCCCC(=O)[O-],"InChI=1/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1",C5H10O2.Na,,,,,,LHYPLJGBYPAQAK-UHFFFAOYSA-M,,,,,,,,,,,
100.025.515,228-066-8,6106-81-6,"[7(S)-(1a,2ß,4ß,5a,7ß)]-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate N-oxide hydrobromide","9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate",CN1(=O)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,CN1(=O)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,"InChI=1/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3",C17H21NO5.BrH,,,,,,GSYQNAMOFFWAPF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.516,228-067-3,6107-56-8,Calcium di(octanoate),calcium dioctanoate,[Ca+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Ca+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Ca/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ca,,,,,,NDWWLJQHOLSEHX-UHFFFAOYSA-L,,,,,,,,,,,
100.025.518,228-069-4,6108-34-5,Lithium urate,"lithium 2,6-dihydroxy-9H-purin-8-olate",[Li]Oc1nc2c(O)nc(O)nc2[nH]1,[Li]Oc1nc2c(O)nc(O)nc2[nH]1,"InChI=1/C5H4N4O3.Li/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);/q;+1/p-1",C5H4N4O3.Li,,,,,,NVDXXUJSTMEQDU-UHFFFAOYSA-M,,,,,,,,,,,
100.025.530,228-083-0,6114-26-7,Pholedrine sulphate,4-[2-(methylamino)propyl]phenol sulfate (salt),CNC(C)Cc1ccc(O)cc1.OS(=O)(=O)O,CNC(C)Cc1ccc(O)cc1.OS(=O)(=O)O,"InChI=1/C10H15NO.H2O4S/c1-8(11-2)7-9-3-5-10(12)6-4-9;1-5(2,3)4/h3-6,8,11-12H,7H2,1-2H3;(H2,1,2,3,4)",C10H15NO.1/2H2O4S,,,,,,PFBFUZCCJVXPKX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.532,228-085-1,6117-80-2,"(Z)-2-butene-1,4-diol","but-2-ene-1,4-diol",OC\\C=C/CO,OC\C=C/CO,"InChI=1/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2",C4H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12586,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.532,ORTVZLZNOYNASJ-UPHRSURJSA-N,,,,,,,,,,,
100.025.536,228-089-3,1/10/6120,"4-(dimethylamino)-3,5-xylenol","4-(dimethylamino)-3,5-dimethylphenol",CN(C)c1c(C)cc(O)cc1C,CN(C)c1c(C)cc(O)cc1C,"InChI=1/C10H15NO/c1-7-5-9(12)6-8(2)10(7)11(3)4/h5-6,12H,1-4H3",C10H15NO,,,,,,GZPBVLUEICLBOA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.072,215-478-8,1327-43-1,"Silicic acid, aluminum magnesium salt",-,[Mg+2].[Al+3].[O-][Si](=O)[O-],[Mg+2].[Al+3].[O-][Si](=O)[O-],InChI=1/Al.Mg.O3Si/c;;1-4(2)3/q+3;+2;-2,-,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1154,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.072,SDCXNKZQOXODOE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.073,215-479-3,1327-44-2,"Silicic acid, aluminum potassium salt",-,[Al+3].[K+].[O-][Si](=O)[O-],[Al+3].[K+].[O-][Si](=O)[O-],InChI=1/Al.K.O3Si/c;;1-4(2)3/q+3;+1;-2,-,,,,,,SCMLWOSTMLVMQY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.369,216-906-6,1694-82-2,"cis-1,2,3,6-tetrahydro-4-methylphthalic anhydride","5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC1=CC[C@H]2[C@@H](C1)C(=O)OC2=O,CC1=CC[C@H]2[C@@H](C1)C(=O)OC2=O,"InChI=1/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3",C9H10O3,,,,,,OEMSKMUAMXLNKL-NKWVEPMBSA-N,,,,,,,,,,,
100.015.372,216-909-2,1694-97-9,"N-(2,4-dinitrophenyl)-L-valine","N-(2,4-dinitrophenyl)valine",CC(C)[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,CC(C)[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)",C11H13N3O6,,,,,,AYLCDVYHZOZQKM-JTQLQIEISA-N,,,,,,,,,,,
100.015.503,217-053-2,1731-86-8,Methyl undecanoate,methyl undecanoate,CCCCCCCCCCC(=O)OC,CCCCCCCCCCC(=O)OC,"InChI=1/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3",C12H24O2,,,,,,XPQPWPZFBULGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.506,217-056-9,1731-94-8,Methyl nonadecan-1-oate,methyl nonadecanoate,CCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3",C20H40O2,,,,,,BDXAHSJUDUZLDU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.507,217-057-4,1732-08-7,Dimethyl heptanedioate,dimethyl pimelate,COC(=O)CCCCCC(=O)OC,COC(=O)CCCCCC(=O)OC,"InChI=1/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3",C9H16O4,,,,,,SHWINQXIGSEZAP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.508,217-059-5,1732-09-8,Dimethyl suberate,dimethyl suberate,COC(=O)CCCCCCC(=O)OC,COC(=O)CCCCCCC(=O)OC,"InChI=1/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3",C10H18O4,,,,,,LNLCRJXCNQABMV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.511,217-062-1,1732-96-3,"Ethylene bis[1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate]","ethane-1,2-diyl bis(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate)",O=C(OCCOC(=O)c1ccc2C(=O)OC(=O)c2c1)c3ccc4C(=O)OC(=O)c4c3,O=C(OCCOC(=O)c1ccc2C(=O)OC(=O)c2c1)c3ccc4C(=O)OC(=O)c4c3,"InChI=1/C20H10O10/c21-15(9-1-3-11-13(7-9)19(25)29-17(11)23)27-5-6-28-16(22)10-2-4-12-14(8-10)20(26)30-18(12)24/h1-4,7-8H,5-6H2",C20H10O10,,,,,,XQBLBHYWXZNCJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.512,217-063-7,1732-97-4,"2-acetoxypropane-1,3-diyl bis(1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate)","2-acetoxypropane-1,3-diyl bis(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate)",CC(=O)OC(COC(=O)c1ccc2C(=O)OC(=O)c2c1)COC(=O)c3ccc4C(=O)OC(=O)c4c3,CC(=O)OC(COC(=O)c1ccc2C(=O)OC(=O)c2c1)COC(=O)c3ccc4C(=O)OC(=O)c4c3,"InChI=1/C23H14O12/c1-10(24)33-13(8-31-18(25)11-2-4-14-16(6-11)22(29)34-20(14)27)9-32-19(26)12-3-5-15-17(7-12)23(30)35-21(15)28/h2-7,13H,8-9H2,1H3",C23H14O12,,,,,,OQOUNJQHPJEYQP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.764,219-540-5,2457-76-3,4-amino-2-chlorobenzoic acid,4-amino-2-chlorobenzoic acid,Nc1ccc(C(=O)O)c(Cl)c1,Nc1ccc(C(=O)O)c(Cl)c1,"InChI=1/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)",C7H6ClNO2,,,,,,MBDUKNCPOPMRJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.765,219-541-0,1/05/2458,Methyl 3-methyl-2-(methylthio)-6-nitrobenzothiazolium sulphate,"3-methyl-2-(methylsulfanyl)-6-nitro-1,3-benzothiazol-3-ium methyl sulfate",COS(=O)(=O)[O-].CSc1sc2cc(ccc2[n+]1C)[N+](=O)[O-],COS(=O)(=O)[O-].CSc1sc2cc(ccc2[n+]1C)[N+](=O)[O-],"InChI=1/C9H9N2O2S2.CH4O4S/c1-10-7-4-3-6(11(12)13)5-8(7)15-9(10)14-2;1-5-6(2,3)4/h3-5H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C9H9N2O2S2.CH3O4S,,,,,,UHXYAEXVNYMRKZ-UHFFFAOYSA-M,,,,,,,,,,,
100.017.774,219-551-5,2460-59-5,"3,5-dinitrosalicylaldehyde","2-hydroxy-3,5-dinitrobenzaldehyde",Oc1c(C=O)cc(cc1[N+](=O)[O-])[N+](=O)[O-],Oc1c(C=O)cc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H",C7H4N2O6,,,,,,FLJXIBHYDIMYRS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.775,219-552-0,2460-77-7,"2,5-di-tert-butyl-p-benzoquinone","2,5-di-tert-butyl-1,4-benzoquinone",CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C,CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C,"InChI=1/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3",C14H20O2,,,,,,ZZYASVWWDLJXIM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.781,219-558-3,2462-32-0,Benzyl 3-phenyl-L-alaninate hydrochloride,benzyl phenylalaninate hydrochloride,Cl.N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2,Cl.N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2,"InChI=1/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H",C16H17NO2.ClH,,,,,,CEXFHIYDTRNBJD-RSAXXLAASA-N,,,,,,,,,,,
100.017.791,219-569-3,2465-32-9,"2-hydroxy-1,3-propanediyl dioleate","2-hydroxypropane-1,3-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3",C39H72O5,,,,,,DRAWQKGUORNASA-CLFAGFIQSA-N,,,,,,,,,,,
100.017.794,219-573-5,2465-93-2,"3,3',3''-propane-1,2,3-triyltrioxytripropiononitrile","3,3',3''-[propane-1,2,3-triyltris(oxy)]tripropanenitrile",N#CCCOCC(COCCC#N)OCCC#N,N#CCCOCC(COCCC#N)OCCC#N,"InChI=1/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2",C12H17N3O3,,,,,,ALGVJKNIAOBBBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.554,225-909-1,5142-76-7,Acetoxyoxobismuthine,acetoxy(oxo)bismuthine,CC(=O)O[Bi]=O,CC(=O)O[Bi]=O,"InChI=1/C2H4O2.Bi.O/c1-2(3)4;;/h1H3,(H,3,4);;/q;+1;/p-1/rC2H3BiO3/c1-2(4)6-3-5/h1H3",C2H3BiO3,,,,,,ZTCIMLDPFZAUNX-UHFFFAOYSA-M,,,,,,,,,,,
100.023.558,225-913-3,6/11/5144,"1,5-dimethyl-1H-tetrazole","1,5-dimethyl-1H-tetrazole",Cc1nnnn1C,Cc1nnnn1C,InChI=1/C3H6N4/c1-3-4-5-6-7(3)2/h1-2H3,C3H6N4,,,,,,HWHNFJYQDMSYAF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.565,225-921-7,5149-85-9,4-(diethylamino)benzenediazonium tetrachlorozincate (2:1),bis[4-(diethylamino)benzenediazonium] tetrachlorozincate(2-),CCN(CC)c1ccc(cc1)[N+]#N.CCN(CC)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc(cc1)[N+]#N.CCN(CC)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C10H14N3.4ClH.Zn/c2*1-3-13(4-2)10-7-5-9(12-11)6-8-10;;;;;/h2*5-8H,3-4H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C10H14N3.Cl4Zn/c2*1-3-13(4-2)10-7-5-9(12-11)6-8-10;1-5(2,3)4/h2*5-8H,3-4H2,1-2H3;/q2*+1;-2",C10H14N3.1/2Cl4Zn,,,,,,KSUPIOGMHIUCNV-UHFFFAOYSA-J,,,,,,,,,,,
100.023.566,225-922-2,5150-42-5,"2,3-dimethoxyphenol","2,3-dimethoxyphenol",COc1cccc(O)c1OC,COc1cccc(O)c1OC,"InChI=1/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3",C8H10O3,,,,,,QSZCGGBDNYTQHH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.571,225-928-5,5153-63-9,Pyridinium acetate,pyridinium acetate,CC(=O)[O-].c1cc[nH+]cc1,CC(=O)[O-].c1cc[nH+]cc1,"InChI=1/C5H5N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h1-5H;1H3,(H,3,4)",C5H5N.C2H4O2,,,,,,GAPYKZAARZMMGP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.572,225-929-0,5153-77-5,N-(butoxymethyl)methacrylamide,N-(butoxymethyl)-2-methylacrylamide,CCCCOCNC(=O)C(=C)C,CCCCOCNC(=O)C(=C)C,"InChI=1/C9H17NO2/c1-4-5-6-12-7-10-9(11)8(2)3/h2,4-7H2,1,3H3,(H,10,11)",C9H17NO2,,,,,,ADGJZVKOKVENDN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.573,225-930-6,5157-04-0,"3,6,9,12,15,18-hexaoxadotriacontan-1-ol","3,6,9,12,15,18-hexaoxadotriacontan-1-ol",CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C26H54O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-28-17-19-30-21-23-32-25-26-33-24-22-31-20-18-29-16-14-27/h27H,2-26H2,1H3",C26H54O7,,,,,,CMOAVXMJUDBIST-UHFFFAOYSA-N,,,,,,,,,,,
100.013.241,214-565-8,1151-11-7,"Calcium bis[3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionate]","calcium bis[3-{[(dimethylamino)methylene]amino}-3-(2,4,6-triiodophenyl)propanoate]",[Ca+2].Ic1cc(I)cc(I)c1C(N=CN(C)C)CC([O-])=O.[O-]C(=O)CC(N=CN(C)C)c1c(I)cc(I)cc1I,[Ca+2].Ic1cc(I)cc(I)c1C(N=CN(C)C)CC([O-])=O.[O-]C(=O)CC(N=CN(C)C)c1c(I)cc(I)cc1I,"InChI=1/2C12H13I3N2O2.Ca/c2*1-17(2)6-16-10(5-11(18)19)12-8(14)3-7(13)4-9(12)15;/h2*3-4,6,10H,5H2,1-2H3,(H,18,19);/q;;+2/p-2",C12H13I3N2O2.1/2Ca,,,,,,OLHVTBGHRZPCAW-UHFFFAOYSA-L,,,,,,,,,,,
100.013.243,214-567-9,1151-97-9,"2-[(2,4-dinitrophenyl)methyl]pyridine","2-(2,4-dinitrobenzyl)pyridine",[O-][N+](=O)c1ccc(Cc2ccccn2)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Cc2ccccn2)c(c1)[N+](=O)[O-],"InChI=1/C12H9N3O4/c16-14(17)11-5-4-9(12(8-11)15(18)19)7-10-3-1-2-6-13-10/h1-6,8H,7H2",C12H9N3O4,,,,,,KKFNJVINGIUTIH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.249,214-574-7,1153-66-8,"Diethyl 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","diethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(C)NC(=C(C1CC)C(=O)OCC)C,CCOC(=O)C1=C(C)NC(=C(C1CC)C(=O)OCC)C,"InChI=1/C15H23NO4/c1-6-11-12(14(17)19-7-2)9(4)16-10(5)13(11)15(18)20-8-3/h11,16H,6-8H2,1-5H3",C15H23NO4,,,,,,PIHXXQOZBCWXOB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.253,214-578-9,1154-84-3,"1,3-diphenyl-1-(trimethylsilyl)urea","1,3-diphenyl-1-(trimethylsilyl)urea",C[Si](C)(C)N(C(=O)Nc1ccccc1)c2ccccc2,C[Si](C)(C)N(C(=O)Nc1ccccc1)c2ccccc2,"InChI=1/C16H20N2OSi/c1-20(2,3)18(15-12-8-5-9-13-15)16(19)17-14-10-6-4-7-11-14/h4-13H,1-3H3,(H,17,19)",C16H20N2OSi,,,,,,OUYBHCPCSNUQHE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.255,214-581-5,1155-00-6,Bis(2-nitrophenyl) disulphide,"1,1'-disulfanediylbis(2-nitrobenzene)",[O-][N+](=O)c1ccccc1SSc2ccccc2[N+](=O)[O-],[O-][N+](=O)c1ccccc1SSc2ccccc2[N+](=O)[O-],InChI=1/C12H8N2O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,C12H8N2O4S2,,,,,,NXCKJENHTITELM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.259,214-585-7,1155-64-2,N6-benzyloxycarbonyl-L-lysine,N~6~-[(benzyloxy)carbonyl]-L-lysine,N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O,N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)",C14H20N2O4,,,,,,CKGCFBNYQJDIGS-LBPRGKRZSA-N,,,,,,,,,,,
100.013.261,214-587-8,1156-05-4,Phenglutarimide,"3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione",CCN(CC)CCC1(CCC(=O)NC1=O)c2ccccc2,CCN(CC)CCC1(CCC(=O)NC1=O)c2ccccc2,"InChI=1/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)",C17H24N2O2,,,,,,BFMBKRQFMIILCH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.264,214-590-4,1156-51-0,"4,4'-isopropylidenediphenyl dicyanate","propane-2,2-diyldi-4,1-phenylene dicyanate",CC(C)(c1ccc(OC#N)cc1)c2ccc(OC#N)cc2,CC(C)(c1ccc(OC#N)cc1)c2ccc(OC#N)cc2,"InChI=1/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3",C17H14N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18152,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.264,AHZMUXQJTGRNHT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.436,227-979-9,6055-82-9,"Fructose 1,6-bis(calcium phosphate)","mu-[1-O-(phosphono-1kappa~2~O,O')-6-O-(phosphono-2kappa~2~O,O')hex-2-ulosato(4-)]dicalcium",OC(COP1(=O)O[Ca]O1)C(O)C(O)C(=O)COP2(=O)O[Ca]O2,OC(COP1(=O)O[Ca]O1)C(O)C(O)C(=O)COP2(=O)O[Ca]O2,"InChI=1/C6H14O12P2.2Ca/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;/q;2*+2/p-4/rC6H10Ca2O12P2/c9-3(1-15-21(13)17-7-18-21)5(11)6(12)4(10)2-16-22(14)19-8-20-22/h3,5-6,9,11-12H,1-2H2",C6H14O12P2.2Ca,,,,,,MKSZTTCFYSGQHA-UHFFFAOYSA-J,,,,,,,,,,,
100.025.437,227-980-4,7/11/6056,Pipazetate hydrochloride,"2-(2-piperidin-1-ylethoxy)ethyl 10H-pyrido[3,2-b][1,4]benzothiazine-10-carboxylate hydrochloride",Cl.O=C(OCCOCCN1CCCCC1)N2c3ccccc3Sc4cccnc24,Cl.O=C(OCCOCCN1CCCCC1)N2c3ccccc3Sc4cccnc24,"InChI=1/C21H25N3O3S.ClH/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24;/h2-3,6-10H,1,4-5,11-16H2;1H",C21H25N3O3S.ClH,,,,,,FEUBUXUFKHXRKO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.444,227-988-8,9/06/6061,"1,1-dichlorobuta-1,3-diene","1,1-dichlorobuta-1,3-diene",ClC(=CC=C)Cl,ClC(=CC=C)Cl,"InChI=1/C4H4Cl2/c1-2-3-4(5)6/h2-3H,1H2",C4H4Cl2,,,,,,PDKAXHLOFWCWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.450,227-995-6,6065-27-6,"4-amino-N,N-diethylaniline sulphate","N,N-diethylbenzene-1,4-diamine sulfate",CCN(CC)c1ccc(N)cc1.OS(=O)(=O)O,CCN(CC)c1ccc(N)cc1.OS(=O)(=O)O,"InChI=1/C10H16N2.H2O4S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-5(2,3)4/h5-8H,3-4,11H2,1-2H3;(H2,1,2,3,4)",C10H16N2.xH2O4S,,,,,,AYLDJQABCMPYEN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.451,227-996-1,6065-32-3,Ethyl 4-bromocrotonate,ethyl 4-bromobut-2-enoate,CCOC(=O)\\C=C\\CBr,CCOC(=O)\C=C\CBr,"InChI=1/C6H9BrO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3",C6H9BrO2,,,,,,FHGRPBSDPBRTLS-ONEGZZNKSA-N,,,,,,,,,,,
100.025.454,227-999-8,6065-82-3,Ethyl diethoxyacetate,ethyl diethoxyacetate,CCOC(OCC)C(=O)OCC,CCOC(OCC)C(=O)OCC,"InChI=1/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3",C8H16O4,,,,,,XCLBIKIQSCTANZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.455,228-000-8,6066-49-5,3-butylphthalide,3-butyl-2-benzofuran-1(3H)-one,CCCCC1OC(=O)c2ccccc12,CCCCC1OC(=O)c2ccccc12,"InChI=1/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3",C12H14O2,,,,,,HJXMNVQARNZTEE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.460,228-006-0,6070-14-0,Menthyl butyrate,2-isopropyl-5-methylcyclohexyl butyrate,O=C(OC1CC(C)CCC1C(C)C)CCC,O=C(OC1CC(C)CCC1C(C)C)CCC,"InChI=1/C14H26O2/c1-5-6-14(15)16-13-9-11(4)7-8-12(13)10(2)3/h10-13H,5-9H2,1-4H3",C14H26O2,,,,,,PHCRRQSBYWJFBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.465,228-011-8,2/11/6075,"1,5-di-2-furylpentan-3-one","1,5-di-2-furylpentan-3-one",O=C(CCc1occc1)CCc2occc2,O=C(CCc1occc1)CCc2occc2,"InChI=1/C13H14O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-4,9-10H,5-8H2",C13H14O3,,,,,,PUKWJEYNRZPXEX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.597,216-056-6,1484-26-0,3-benzyloxyaniline,3-(benzyloxy)aniline,Nc1cccc(OCc2ccccc2)c1,Nc1cccc(OCc2ccccc2)c1,"InChI=1/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2",C13H13NO,,,,,,IGPFOKFDBICQMC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.599,216-058-7,1484-80-6,2-ethylpiperidine,2-ethylpiperidine,CCC1CCCCN1,CCC1CCCCN1,"InChI=1/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3",C7H15N,,,,,,QBBKKFZGCDJDQK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.600,216-059-2,1484-84-0,2-piperidin-2-ylethanol,2-piperidin-2-ylethanol,OCCC1CCCCN1,OCCC1CCCCN1,"InChI=1/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2",C7H15NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18066,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.600,PTHDBHDZSMGHKF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.608,216-068-1,1487-49-6,Methyl 3-hydroxybutyrate,methyl 3-hydroxybutanoate,COC(=O)CC(C)O,COC(=O)CC(C)O,"InChI=1/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3",C5H10O3,,,,,,LDLDJEAVRNAEBW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.609,216-069-7,1487-55-4,"(±)-1-(3-hydroxy-7-methyl-2,4-dioxa-7-aza-3-phosphaoct-1-yl)ethylene dipalmitate P-oxide","5-hydroxy-9-methyl-5-oxido-2-(palmitoyloxy)-4,6-dioxa-9-aza-5-phosphadec-1-yl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C39H78NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3)4)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3,(H,43,44)",C39H78NO8P,,,,,,SKWDCOTXHWCSGS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.612,216-072-3,1489-57-2,"4,5-dihydrotoluene","2-methylcyclohexa-1,3-diene",CC1=CCCC=C1,CC1=CCCC=C1,"InChI=1/C7H10/c1-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3",C7H10,,,,,,XMWINMVFKPHMJB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.613,216-073-9,1489-73-2,(4-bromobut-1-enyl)cyclopropane,(4-bromobut-1-en-1-yl)cyclopropane,BrCCC=CC1CC1,BrCCC=CC1CC1,"InChI=1/C7H11Br/c8-6-2-1-3-7-4-5-7/h1,3,7H,2,4-6H2",C7H11Br,,,,,,KFBVGNXBGNALRF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.619,216-080-7,1491-91-4,"Sodium O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosinate","sodium 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate",[Na+].N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-],[Na+].N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-],"InChI=1/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1",C15H11I4NO4.Na,,,,,,YDTFRJLNMPSCFM-YDALLXLXSA-M,,,,,,,,,,,
100.023.583,225-941-6,5163-67-7,(E)-oct-3-enoic acid,oct-3-enoic acid,CCCC\\C=C\\CC(=O)O,CCCC\C=C\CC(=O)O,"InChI=1/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)",C8H14O2,,,,,,IWPOSDLLFZKGOW-AATRIKPKSA-N,,,,,,,,,,,
100.023.592,225-951-0,5166-67-6,Ethyl 1-methylpiperidine-3-carboxylate,ethyl 1-methylpiperidine-3-carboxylate,CCOC(=O)C1CCCN(C)C1,CCOC(=O)C1CCCN(C)C1,"InChI=1/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3",C9H17NO2,,,,,,VFJJNMLPRDRTCO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.593,225-952-6,5167-14-6,3H-purin-6-ol 1-oxide,3H-purin-6-ol 1-oxide,Oc1c2ncnc2[nH]c[n+]1[O-],Oc1c2ncnc2[nH]c[n+]1[O-],"InChI=1/C5H4N4O2/c10-5-3-4(7-1-6-3)8-2-9(5)11/h1-2,10H,(H,6,7,8)",C5H4N4O2,,,,,,CTDZUHPRCRCVDS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.594,225-953-1,5168-50-3,"(1,1,4,4-tetramethyltetramethylene)bis[tert-pentyl] peroxide","2,5-bis[(1,1-dimethylpropyl)peroxy]-2,5-dimethylhexane",CCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)CC,CCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)CC,"InChI=1/C18H38O4/c1-11-15(3,4)19-21-17(7,8)13-14-18(9,10)22-20-16(5,6)12-2/h11-14H2,1-10H3",C18H38O4,,,,,,TUAPLLGBMYGPST-UHFFFAOYSA-N,,,,,,,,,,,
100.023.596,225-955-2,5173-27-3,"1,2-bis(4-hydroxyphenyl)ethane-1,2-diol","1,2-bis(4-hydroxyphenyl)ethane-1,2-diol",OC(C(O)c1ccc(O)cc1)c2ccc(O)cc2,OC(C(O)c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C14H14O4/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-18H",C14H14O4,,,,,,GRCDZLQANHNACB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.597,225-956-8,5173-69-3,"(4a,4aß,8aa)-octahydro-4,8a-dimethyl-4a(2H)-naphthol","4,8a-dimethyloctahydronaphthalen-4a(2H)-ol",C[C@H]1CCC[C@]2(C)CCCC[C@@]12O,C[C@H]1CCC[C@]2(C)CCCC[C@@]12O,"InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3",C12H22O,,,,,,JLPUXFOGCDVKGO-SDDRHHMPSA-N,,,,,,,,,,,
100.023.611,225-972-5,5189-40-2,4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenol,"4,4'-(cyclohexylidenemethylene)diphenol",Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(O)cc3,Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(O)cc3,"InChI=1/C19H20O2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h6-13,20-21H,1-5H2",C19H20O2,,,,,,POEZOFHZEJTFHF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.615,225-976-7,5191-97-9,L-ornithine 2-oxoglutarate,2-oxopentanedioic acid - L-ornithine (1:1),NCCC[C@H](N)C(=O)O.OC(=O)CCC(=O)C(=O)O,NCCC[C@H](N)C(=O)O.OC(=O)CCC(=O)C(=O)O,"InChI=1/C5H12N2O2.C5H6O5/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);1-2H2,(H,7,8)(H,9,10)",C5H12N2O2.C5H6O5,,,,,,SLPUVFBNQHVEEU-WCCKRBBISA-N,,,,,,,,,,,
100.023.616,225-977-2,5192-03-0,Indol-5-ylamine,1H-indol-5-amine,Nc1ccc2[nH]ccc2c1,Nc1ccc2[nH]ccc2c1,"InChI=1/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2",C8H8N2,,,,,,ZCBIFHNDZBSCEP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.294,214-623-2,1169-79-5,Quinestradol,"3-(cyclopentyloxy)estra-1,3,5(10)-triene-16,17-diol",C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCC5)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCC5)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O,"InChI=1/C23H32O3/c1-23-11-10-18-17-9-7-16(26-15-4-2-3-5-15)12-14(17)6-8-19(18)20(23)13-21(24)22(23)25/h7,9,12,15,18-22,24-25H,2-6,8,10-11,13H2,1H3",C23H32O3,,,,,,ODYKCPYPRCJXLY-PZORDLPLSA-N,,,,,,,,,,,
100.013.295,214-624-8,1169-98-8,Cyclohexyl 2-ethylhexyl phthalate,cyclohexyl 2-ethylhexyl phthalate,CCCCC(CC)COC(=O)c1ccccc1C(=O)OC2CCCCC2,CCCCC(CC)COC(=O)c1ccccc1C(=O)OC2CCCCC2,"InChI=1/C22H32O4/c1-3-5-11-17(4-2)16-25-21(23)19-14-9-10-15-20(19)22(24)26-18-12-7-6-8-13-18/h9-10,14-15,17-18H,3-8,11-13,16H2,1-2H3",C22H32O4,,,,,,GULVUHANCCJWSS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.299,214-629-5,1172-02-7,"(2,4,7-trinitrofluoren-9-ylidene)malonitrile","2-hydroxy-3-(2,4,7-trinitro-9H-fluoren-9-ylidene)succinonitrile",[O-][N+](=O)c3cc(cc2c3c1ccc(cc1C2=C(C#N)C(O)C#N)[N+]([O-])=O)[N+]([O-])=O,[O-][N+](=O)c3cc(cc2c3c1ccc(cc1C2=C(C#N)C(O)C#N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C17H7N5O7/c18-6-13(15(23)7-19)16-11-3-8(20(24)25)1-2-10(11)17-12(16)4-9(21(26)27)5-14(17)22(28)29/h1-5,15,23H",C16H5N5O6,,,,,,ASPMBYOMNHUILU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.307,214-637-9,1174-69-2,"(20S)-5-ß-pregnane-3a,20-diol diacetate","pregnane-3,20-diyl diacetate",CC(OC(=O)C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC(=O)C,CC(OC(=O)C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC(=O)C,"InChI=1/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3",C25H40O4,,,,,,VDZDKQBSTYNFGG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.313,214-644-7,1176-08-5,Phenyltoloxamine dihydrogen citrate,"2-(2-benzylphenoxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CN(C)CCOc1ccccc1Cc2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN(C)CCOc1ccccc1Cc2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C17H21NO.C6H8O7,,,,,,ZZYHCCDMBJTROG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.795,219-574-0,3/09/2466,Pyrophosphoric acid,diphosphoric acid,OP(=O)(O)OP(=O)(O)O,OP(=O)(O)OP(=O)(O)O,"InChI=1/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)",H4O7P2,,,,,,XPPKVPWEQAFLFU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.802,219-581-9,2467-13-2,Tris(2-ethylhexyl) orthoborate,tris(2-ethylhexyl) borate,CCCCC(CC)COB(OCC(CC)CCCC)OCC(CC)CCCC,CCCCC(CC)COB(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1/C24H51BO3/c1-7-13-16-22(10-4)19-26-25(27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",C24H51BO3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17438,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.802,DLVYHYUFIXLWKV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.803,219-582-4,2467-15-4,Tridodecyl borate,tridodecyl borate,CCCCCCCCCCCCOB(OCCCCCCCCCCCC)OCCCCCCCCCCCC,CCCCCCCCCCCCOB(OCCCCCCCCCCCC)OCCCCCCCCCCCC,"InChI=1/C36H75BO3/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",C36H75BO3,,,,,,HWJYGSDXNANCJM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.807,219-587-1,2469-45-6,Didodecyl sulphide,"1,1'-sulfanediyldidodecane",CCCCCCCCCCCCSCCCCCCCCCCCC,CCCCCCCCCCCCSCCCCCCCCCCCC,"InChI=1/C24H50S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50S,,,,,,UPYPTOCXMIWHSG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.251,223-374-9,3861-41-4,"2,6-dibromo-4-cyanophenyl butyrate","2,6-dibromo-4-cyanophenyl butyrate",CCCC(=O)Oc1c(Br)cc(cc1Br)C#N,CCCC(=O)Oc1c(Br)cc(cc1Br)C#N,"InChI=1/C11H9Br2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3",C11H9Br2NO2,,,,,,PGMZYNZXIYOOHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.253,223-377-5,3861-72-1,"(5a,6a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl acetate","3-methoxy-17-methyl-4,5-epoxymorphinan-6-yl acetate",COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3",C20H25NO4,,,,,,LGGDXXJAGWBUSL-BKRJIHRRSA-N,,,,,,,,,,,
100.021.254,223-378-0,3861-73-2,"Trisodium 4-hydroxy-4-(4-anilino-5-sulphonato-1-naphthylazo)naphthalene-2,7-disulphonate","trisodium 4-[(4-anilino-5-sulfonato-1-naphthyl)diazenyl]-4-hydroxy-1,4-dihydronaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc5c1c(Nc2ccccc2)ccc5N=NC4(O)/C=C(\\Cc3cc(ccc34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc5c1c(Nc2ccccc2)ccc5N=NC4(O)/C=C(\Cc3cc(ccc34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C26H21N3O10S3.3Na/c30-26(15-19(41(34,35)36)14-16-13-18(40(31,32)33)9-10-21(16)26)29-28-22-11-12-23(27-17-5-2-1-3-6-17)25-20(22)7-4-8-24(25)42(37,38)39;;;/h1-13,15,27,30H,14H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3",C26H19N3O10S3.3Na,,,,,,RWABAMOUFNGFDI-UHFFFAOYSA-K,,,,,,,,,,,
100.021.255,223-379-6,3861-99-2,"6-chloro-2,3-dihydro-1,3-dioxo-1H-isoindole-5-sulphonamide","6-chloro-1,3-dioxoisoindoline-5-sulfonamide",NS(=O)(=O)c1cc2C(=O)NC(=O)c2cc1Cl,NS(=O)(=O)c1cc2C(=O)NC(=O)c2cc1Cl,"InChI=1/C8H5ClN2O4S/c9-5-1-3-4(8(13)11-7(3)12)2-6(5)16(10,14)15/h1-2H,(H2,10,14,15)(H,11,12,13)",C8H5ClN2O4S,,,,,,BSWMHSXPIVWLJR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.262,223-386-4,3867-55-8,"Benzene-1,2,4-tricarbonyl trichloride","benzene-1,2,4-tricarbonyl trichloride",ClC(=O)c1ccc(C(=O)Cl)c(c1)C(=O)Cl,ClC(=O)c1ccc(C(=O)Cl)c(c1)C(=O)Cl,InChI=1/C9H3Cl3O3/c10-7(13)4-1-2-5(8(11)14)6(3-4)9(12)15/h1-3H,C9H3Cl3O3,,,,,,CJPIDIRJSIUWRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.271,223-396-9,3874-84-8,6-amino-5-[(2-chloro-4-nitrophenyl)azo]naphthalene-1-sulphonamide,6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]naphthalene-1-sulfonamide,Clc3cc(ccc3N=Nc1c2cccc(c2ccc1N)S(N)(=O)=O)[N+]([O-])=O,Clc3cc(ccc3N=Nc1c2cccc(c2ccc1N)S(N)(=O)=O)[N+]([O-])=O,"InChI=1/C16H12ClN5O4S/c17-12-8-9(22(23)24)4-7-14(12)20-21-16-11-2-1-3-15(27(19,25)26)10(11)5-6-13(16)18/h1-8H,18H2,(H2,19,25,26)",C16H12ClN5O4S,,,,,,QWMXREGTJHCYOA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.280,223-407-7,3878-45-3,Triphenylphosphine sulphide,triphenylphosphine sulfide,S=P(c1ccccc1)(c2ccccc2)c3ccccc3,S=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15PS,,,,,,VYNGFCUGSYEOOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.282,223-409-8,3879-07-0,"Diethyl 2,2'-azobis[2-methylpropionate]","diethyl 2,2'-diazene-1,2-diylbis(2-methylpropanoate)",CCOC(=O)C(C)(C)N=NC(C)(C)C(=O)OCC,CCOC(=O)C(C)(C)N=NC(C)(C)C(=O)OCC,"InChI=1/C12H22N2O4/c1-7-17-9(15)11(3,4)13-14-12(5,6)10(16)18-8-2/h7-8H2,1-6H3",C12H22N2O4,,,,,,XNICETZFWREDRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.287,223-415-0,3882-66-4,"4-ethoxy-6-methyl-1,3,5-triazin-2-amine","4-ethoxy-6-methyl-1,3,5-triazin-2-amine",CCOc1nc(C)nc(N)n1,CCOc1nc(C)nc(N)n1,"InChI=1/C6H10N4O/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)",C6H10N4O,,,,,,WBYRNUWFQADAPF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.175,219-991-8,2593-15-9,"5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole","5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole",CCOc1nc(ns1)C(Cl)(Cl)Cl,CCOc1nc(ns1)C(Cl)(Cl)Cl,"InChI=1/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3",C5H5Cl3N2OS,,,,,,KQTVWCSONPJJPE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.179,219-996-5,2595-98-4,D-talose,D-talose,OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C=O,OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-KAZBKCHUSA-N,,,,,,,,,,,
100.013.272,214-599-3,1161-13-3,N-benzyloxycarbonyl-L-3-phenylalanine,N-[(benzyloxy)carbonyl]phenylalanine,OC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)",C17H17NO4,,,,,,RRONHWAVOYADJL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.274,214-601-2,1162-06-7,Acetoxytriphenylplumbane,acetoxy(triphenyl)plumbane,CC(=O)O[Pb](c1ccccc1)(c2ccccc2)c3ccccc3,CC(=O)O[Pb](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.C2H4O2.Pb/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1/rC20H18O2Pb/c1-17(21)22-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3",C20H18O2Pb,,,,,,UXLLXTLQVAJJIB-UHFFFAOYSA-M,,,,,,,,,,,
100.013.275,214-602-8,1162-53-4,"3-ß-hydroxypregna-5,16-dien-20-one","3-hydroxypregna-5,16-dien-20-one",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3",C21H30O2,,,,,,YLFRRPUBVUAHSR-RRPFGEQOSA-N,,,,,,,,,,,
100.013.283,214-611-7,1164-72-3,1-benzyl-4-(p-toluidino)piperidine-4-carboxamide,1-benzyl-4-[(4-methylphenyl)amino]piperidine-4-carboxamide,Cc1ccc(NC2(CCN(Cc3ccccc3)CC2)C(=O)N)cc1,Cc1ccc(NC2(CCN(Cc3ccccc3)CC2)C(=O)N)cc1,"InChI=1/C20H25N3O/c1-16-7-9-18(10-8-16)22-20(19(21)24)11-13-23(14-12-20)15-17-5-3-2-4-6-17/h2-10,22H,11-15H2,1H3,(H2,21,24)",C20H25N3O,,,,,,FTCXTANXUNVWNR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.285,214-613-8,1164-99-4,4-chloro-17ß-hydroxyestr-4-en-3-one 17-acetate,4-chloro-3-oxoestr-4-en-17-yl acetate,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@@H]4[C@H]3CC[C@]12C,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C20H27ClO3/c1-11(22)24-18-8-6-16-14-3-4-15-12(5-7-17(23)19(15)21)13(14)9-10-20(16,18)2/h12-14,16,18H,3-10H2,1-2H3",C20H27ClO3,,,,,,FNMAFGQVNCRKGS-JZQWUOKRSA-N,,,,,,,,,,,
100.013.287,214-615-9,1165-39-5,"(7aR,cis)3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione","5-methoxy-3,4,7a,10a-tetrahydro-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione",COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCOC5=O)c14,COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCOC5=O)c14,"InChI=1/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3",C17H12O7,,,,,,XWIYFDMXXLINPU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.289,214-618-5,1166-12-7,"1-(2,4-dihydroxyphenyl)ethan-1-one (2,4-dinitrophenyl)hydrazone","4-[N-(2,4-dinitrophenyl)ethanehydrazonoyl]benzene-1,3-diol",Oc2cc(O)ccc2C(C)=NNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,Oc2cc(O)ccc2C(C)=NNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C14H12N4O6/c1-8(11-4-3-10(19)7-14(11)20)15-16-12-5-2-9(17(21)22)6-13(12)18(23)24/h2-7,16,19-20H,1H3",C14H12N4O6,,,,,,AXYZBIJYZKKFRR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.872,226-259-1,5336-75-4,4-diethylaminobutyronitrile,4-(diethylamino)butanenitrile,CCN(CC)CCCC#N,CCN(CC)CCCC#N,"InChI=1/C8H16N2/c1-3-10(4-2)8-6-5-7-9/h3-6,8H2,1-2H3",C8H16N2,,,,,,NUVVGLXJJPTXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.873,226-260-7,5337-17-7,(4-aminophenyl)phosphonic acid,(4-aminophenyl)phosphonic acid,Nc1ccc(cc1)P(=O)(O)O,Nc1ccc(cc1)P(=O)(O)O,"InChI=1/C6H8NO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",C6H8NO3P,,,,,,OAOBMEMWHJWPNA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.874,226-261-2,5337-19-9,(3-nitrophenyl)phosphonic acid,(3-nitrophenyl)phosphonic acid,OP(=O)(O)c1cccc(c1)[N+](=O)[O-],OP(=O)(O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C6H6NO5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H2,10,11,12)",C6H6NO5P,,,,,,OXWXINKWKITCIH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.517,228-068-9,7/10/6108,"(1a,2a,3a,4ß,5ß,6ß)-1,2,3,4,5,6-hexachlorocyclohexane","1,2,3,4,5,6-hexachlorocyclohexane",Cl[C@@H]1[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl,Cl[C@@H]1[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl,InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,C6H6Cl6,,,,,,JLYXXMFPNIAWKQ-DCLYFUHFSA-N,,,,,,,,,,,
100.025.521,228-073-6,6110-36-7,Ethyl 4-methoxy-6-methylsalicylate,ethyl 2-hydroxy-4-methoxy-6-methylbenzoate,CCOC(=O)c1c(C)cc(OC)cc1O,CCOC(=O)c1c(C)cc(OC)cc1O,"InChI=1/C11H14O4/c1-4-15-11(13)10-7(2)5-8(14-3)6-9(10)12/h5-6,12H,4H2,1-3H3",C11H14O4,,,,,,PJOOIAZRUIIQMU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.528,228-080-4,6113-61-7,N-formyl-L-leucine,N-formyl-L-leucine,CC(C)C[C@H](NC=O)C(=O)O,CC(C)C[C@H](NC=O)C(=O)O,"InChI=1/C7H13NO3/c1-5(2)3-6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)",C7H13NO3,,,,,,HFBHOAHFRNLZGN-LURJTMIESA-N,,,,,,,,,,,
100.025.533,228-086-7,6117-91-5,But-2-en-1-ol,but-2-en-1-ol,CC=CCO,CC=CCO,"InChI=1/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3",C4H8O,,,,,,WCASXYBKJHWFMY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.580,225-937-4,5162-44-7,4-bromobut-1-ene,4-bromobut-1-ene,BrCCC=C,BrCCC=C,"InChI=1/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2",C4H7Br,,,,,,DMAYBPBPEUFIHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.581,225-939-5,5162-48-1,"2,2,4-trimethylpentan-3-ol","2,2,4-trimethylpentan-3-ol",CC(C)C(O)C(C)(C)C,CC(C)C(O)C(C)(C)C,"InChI=1/C8H18O/c1-6(2)7(9)8(3,4)5/h6-7,9H,1-5H3",C8H18O,,,,,,AXINNNJHLJWMTC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.629,216-091-7,1497-17-2,2-methyl-2-phenylsuccinimide,"3-methyl-3-phenylpyrrolidine-2,5-dione",CC1(CC(=O)NC1=O)c2ccccc2,CC1(CC(=O)NC1=O)c2ccccc2,"InChI=1/C11H11NO2/c1-11(7-9(13)12-10(11)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,14)",C11H11NO2,,,,,,UDESUGJZUFALAM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.634,216-096-4,1498-40-4,Dichloroethylphosphine,ethylphosphonous dichloride,CCP(Cl)Cl,CCP(Cl)Cl,"InChI=1/C2H5Cl2P/c1-2-5(3)4/h2H2,1H3",C2H5Cl2P,,,,,,JHNJGLVSPIMBLD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.635,216-098-5,1498-42-6,Ethyl dichlorophosphite,ethyl dichlorophosphite,CCOP(Cl)Cl,CCOP(Cl)Cl,"InChI=1/C2H5Cl2OP/c1-2-5-6(3)4/h2H2,1H3",C2H5Cl2OP,,,,,,PVCINRPAXRJLEP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.637,216-100-4,1498-64-2,O-ethyl dichlorothiophosphate,O-ethyl dichlorothiophosphate,CCOP(=S)(Cl)Cl,CCOP(=S)(Cl)Cl,"InChI=1/C2H5Cl2OPS/c1-2-5-6(3,4)7/h2H2,1H3",C2H5Cl2OPS,,,,,,SMODMOZAUKBGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.640,216-104-6,1498-96-0,4-butoxybenzoic acid,4-butoxybenzoic acid,CCCCOc1ccc(cc1)C(=O)O,CCCCOc1ccc(cc1)C(=O)O,"InChI=1/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)",C11H14O3,,,,,,LAUFPZPAKULAGB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.880,225-168-4,4696-66-6,Calcium galactarate,"calcium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Ca+2].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],[Ca+2].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],"InChI=1/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2",C6H10O8.Ca,,,,,,UGZVNIRNPPEDHM-UEXKISHTSA-L,,,,,,,,,,,
100.022.881,225-170-5,4696-76-8,Bekanamycin,"4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",C18H37N5O10,,,,,,SKKLOUVUUNMCJE-FQSMHNGLSA-N,,,,,,,,,,,
100.022.883,225-172-6,7/11/4698,"10-methoxy-5H-dibenz[b,f]azepine","10-methoxy-5H-dibenzo[b,f]azepine",COC1=Cc2ccccc2Nc3ccccc13,COC1=Cc2ccccc2Nc3ccccc13,"InChI=1/C15H13NO/c1-17-15-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15/h2-10,16H,1H3",C15H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13198,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.883,ZKHZWXLOSIGIGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.885,225-174-7,4698-96-8,"1-(biphenyl-4-yloxy)-2,3-epoxypropane",2-[(biphenyl-4-yloxy)methyl]oxirane,C(Oc1ccc(cc1)c2ccccc2)C3CO3,C(Oc1ccc(cc1)c2ccccc2)C3CO3,"InChI=1/C15H14O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h1-9,15H,10-11H2",C15H14O2,,,,,,GXANCFOKAWEPIS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.892,225-182-0,4702-65-2,"4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)anthraquinone","4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-9,10-anthraquinone",Cc1cc(ccc1O)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,Cc1cc(ccc1O)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,"InChI=1/C21H16N2O5/c1-8-6-9(2-4-13(8)24)10-7-12(23)16-18(19(10)26)21(28)15-11(22)3-5-14(25)17(15)20(16)27/h2-7,24-26H,22-23H2,1H3",C21H16N2O5,,,,,,WSZULUJFSWLUAF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.893,225-183-6,4702-78-7,Diphenylethanedione dihydrazone,"1,1'-(1,2-diphenylethane-1,2-diylidene)dihydrazine",NN=C(C(=NN)c1ccccc1)c2ccccc2,NN=C(C(=NN)c1ccccc1)c2ccccc2,"InChI=1/C14H14N4/c15-17-13(11-7-3-1-4-8-11)14(18-16)12-9-5-2-6-10-12/h1-10H,15-16H2",C14H14N4,,,,,,ZWPOAAKGAFHAEX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.894,225-184-1,4702-90-3,"4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4,4'-methylylidenebis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)",C/C4=N/N(c1ccccc1)C(=O)C4=CC3C(\\C)=N/N(c2ccccc2)C3=O,C/C4=N/N(c1ccccc1)C(=O)C4=CC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,18H,1-2H3",C21H18N4O2,,,,,,QPAPQRFSPBUJAU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.902,225-193-0,4707-47-5,"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate","methyl 2,4-dihydroxy-3,6-dimethylbenzoate",COC(=O)c1c(C)cc(O)c(C)c1O,COC(=O)c1c(C)cc(O)c(C)c1O,"InChI=1/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3",C10H12O4,,,,,,UUQHKWMIDYRWHH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.904,225-195-1,7/04/4708,Propylphosphonic dichloride,propylphosphonic dichloride,CCCP(=O)(Cl)Cl,CCCP(=O)(Cl)Cl,"InChI=1/C3H7Cl2OP/c1-2-3-7(4,5)6/h2-3H2,1H3",C3H7Cl2OP,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11229,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.904,CWMQAFZROJAZQS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.909,225-200-7,4711-68-6,4'-ethoxy-3-hydroxy-2-naphthanilide,N-(4-ethoxyphenyl)-3-hydroxy-2-naphthamide,CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,"InChI=1/C19H17NO3/c1-2-23-16-9-7-15(8-10-16)20-19(22)17-11-13-5-3-4-6-14(13)12-18(17)21/h3-12,21H,2H2,1H3,(H,20,22)",C19H17NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11304,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.909,FYJKEJZGNQVNLC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.911,225-202-8,4712-55-4,Diphenyl phosphonate,diphenyl phosphonate,O=P(Oc1ccccc1)Oc2ccccc2,O=P(Oc1ccccc1)Oc2ccccc2,"InChI=1/C12H11O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,16H",C12H11O3P,,,,,,OGBPILLJZSJJRC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.314,214-645-2,1176-74-5,"Ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoate","ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate",CCOC(=O)c1ccccc1C(=C2C=C(Br)C(=O)C(=C2)Br)c3cc(Br)c(O)c(Br)c3,CCOC(=O)c1ccccc1C(=C2C=C(Br)C(=O)C(=C2)Br)c3cc(Br)c(O)c(Br)c3,"InChI=1/C22H14Br4O4/c1-2-30-22(29)14-6-4-3-5-13(14)19(11-7-15(23)20(27)16(24)8-11)12-9-17(25)21(28)18(26)10-12/h3-10,27H,2H2,1H3",C22H14Br4O4,,,,,,SQFXATUXPUCFFO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.315,214-646-8,1177-87-3,Dexamethasone 21-acetate,"9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3",C24H31FO6,,,,,,AKUJBENLRBOFTD-XRYACJLUSA-N,,,,,,,,,,,
100.013.317,214-648-9,1179-69-7,Thiethylperazine di(hydrogen maleate),2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,"InChI=1/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3",C22H29N3S2.2C4H4O4,,,,,,XCTYLCDETUVOIP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.319,214-651-5,1180-43-4,Cholest-5-en-3ß-yl isobutyrate,cholest-5-en-3-yl 2-methylpropanoate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(C)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(C)C,"InChI=1/C31H52O2/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(33-29(32)21(3)4)15-17-30(23,6)28(25)16-18-31(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3",C31H52O2,,,,,,PUUPGXQPWDWTPH-GTPODGLVSA-N,,,,,,,,,,,
100.013.329,214-662-5,1183-12-6,"2-Butenal, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1R-[1a,1(Z),3aß,5a,14aS*]]-","4-[8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal",CC(=CCc1c2OC(C)(C)C=Cc2c(O)c3C(=O)C4=CC5CC6C(C)(C)OC(CC=C(C)C=O)(C5=O)C46Oc13)C,CC(=CCc1c2OC(C)(C)C=Cc2c(O)c3C(=O)C4=CC5CC6C(C)(C)OC(CC=C(C)C=O)(C5=O)C46Oc13)C,"InChI=1/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3",C33H36O7,,,,,,COQAPWLZSHQTKA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.546,228-100-1,6130-82-1,Hexachlorocyclobutene,hexachlorocyclobutene,ClC1=C(Cl)C(Cl)(Cl)C1(Cl)Cl,ClC1=C(Cl)C(Cl)(Cl)C1(Cl)Cl,"InChI=1/C4Cl6/c5-1-2(6)4(9,10)3(1,7)8",C4Cl6,,,,,,QXFKQCYWJWBUTR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.555,228-110-6,6136-68-1,3-acetylbenzonitrile,3-acetylbenzonitrile,CC(=O)c1cccc(c1)C#N,CC(=O)c1cccc(c1)C#N,"InChI=1/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3",C9H7NO,,,,,,SBCFGFDAZCTSRH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.557,228-112-7,7/03/6137,3-ethylpentan-2-one,3-ethylpentan-2-one,CCC(CC)C(=O)C,CCC(CC)C(=O)C,"InChI=1/C7H14O/c1-4-7(5-2)6(3)8/h7H,4-5H2,1-3H3",C7H14O,,,,,,GSNKRSKIWFBWEG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.558,228-113-2,2/08/6137,3-methyloctan-2-one,3-methyloctan-2-one,CCCCCC(C)C(=O)C,CCCCCC(C)C(=O)C,"InChI=1/C9H18O/c1-4-5-6-7-8(2)9(3)10/h8H,4-7H2,1-3H3",C9H18O,,,,,,XSWHAOGCTCBDIT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.560,228-115-3,8/12/6137,4-ethylhexan-3-one,4-ethylhexan-3-one,CCC(CC)C(=O)CC,CCC(CC)C(=O)CC,"InChI=1/C8H16O/c1-4-7(5-2)8(9)6-3/h7H,4-6H2,1-3H3",C8H16O,,,,,,CUMYWGHHTRDNAO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.561,228-116-9,6137-26-4,Dodecan-4-one,dodecan-4-one,CCCCCCCCC(=O)CCC,CCCCCCCCC(=O)CCC,"InChI=1/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3",C12H24O,,,,,,AVQSOIZWTINZLU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.565,228-121-6,6138-56-3,Tripelennamine citrate,"N-benzyl-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CN(C)CCN(Cc1ccccc1)c2ccccn2.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN(C)CCN(Cc1ccccc1)c2ccccn2.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C16H21N3.C6H8O7/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C16H21N3.C6H8O7,,,,,,GGRBYIUPUOYRLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.569,228-125-8,6140-61-0,4-formyl-4-methylvaleronitrile,"4,4-dimethyl-5-oxopentanenitrile",CC(C)(CCC#N)C=O,CC(C)(CCC#N)C=O,"InChI=1/C7H11NO/c1-7(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3",C7H11NO,,,,,,HKJVKIURQSVEQB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.576,228-133-1,6141-78-2,Tris(methylamido)thiophosphorus,"N,N',N''-trimethylphosphorothioic triamide",CNP(=S)(NC)NC,CNP(=S)(NC)NC,"InChI=1/C3H12N3PS/c1-4-7(8,5-2)6-3/h1-3H3,(H3,4,5,6,8)",C3H12N3PS,,,,,,CCDQZNSLMGTOBC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.578,228-135-2,8/05/6142,Thiazol-2-ylammonium chloride,"1,3-thiazol-2-aminium chloride",[Cl-].[NH3+]c1nccs1,[Cl-].[NH3+]c1nccs1,"InChI=1/C3H4N2S.ClH/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);1H",C3H4N2S.ClH,,,,,,WDJXDOCQCALXMV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.185,220-002-7,2599-76-0,4-[ethyl(2-hydroxyethyl)amino]benzenediazonium hexafluorophosphate,4-[ethyl(2-hydroxyethyl)amino]benzenediazonium hexafluorophosphate,CCN(CCO)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,CCN(CCO)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C10H14N3O.F6P/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;1-7(2,3,4,5)6/h3-6,14H,2,7-8H2,1H3;/q+1;-1",C10H14N3O.F6P,,,,,,PUDYXBZJCHEODV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.186,220-003-2,2600-31-9,"9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-valerate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate",CCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3",C27H37FO6,,,,,,FEROCCAEIIKMJT-OMPPIWKSSA-N,,,,,,,,,,,
100.018.191,220-009-5,2601-90-3,(Z)-N-(1-oxo-9-octadecenyl)glycine,N-oleoylglycine,CCCCCCCC\\C=C/CCCCCCCC(=O)NCC(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)NCC(=O)O,"InChI=1/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)",C20H37NO3,,,,,,HPFXACZRFJDURI-KTKRTIGZSA-N,,,,,,,,,,,
100.018.195,220-013-7,2602-55-3,Dichlorobis(trichloromethyl)silane,dichloro[bis(trichloromethyl)]silane,ClC(Cl)(Cl)[Si](Cl)(Cl)C(Cl)(Cl)Cl,ClC(Cl)(Cl)[Si](Cl)(Cl)C(Cl)(Cl)Cl,"InChI=1/C2Cl8Si/c3-1(4,5)11(9,10)2(6,7)8",C2Cl8Si,,,,,,DCAHYUQEYDTBOH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.197,220-015-8,2604-45-7,"2,3,5,6-tetramethylbenzoic acid","2,3,5,6-tetramethylbenzoic acid",Cc1cc(C)c(C)c(C(=O)O)c1C,Cc1cc(C)c(C)c(C(=O)O)c1C,"InChI=1/C11H14O2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5H,1-4H3,(H,12,13)",C11H14O2,,,,,,STIDRZRESMTQBD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.200,220-018-4,2605-67-6,Methyl (triphenylphosphoranylidene)acetate,methyl (triphenylphosphoranylidene)acetate,COC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3,COC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3",C21H19O2P,,,,,,NTNUDYROPUKXNA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.209,220-028-9,9/11/2610,Disodium 7-benzamido-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-(benzoylamino)-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S([O-])(=O)=O,"InChI=1/C29H21N5O8S2.2Na/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C29H21N5O8S2.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10324,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.209,UFUQRRYHIHJMPB-UHFFFAOYSA-L,,,,,,,,,,,
100.018.211,220-031-5,2611-00-9,Cyclohex-3-enylmethyl cyclohex-3-enecarboxylate,cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate,O=C(OCC1CCC=CC1)C2CCC=CC2,O=C(OCC1CCC=CC1)C2CCC=CC2,"InChI=1/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2",C14H20O2,,,,,,FJPFRSQDAFMEKD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.515,217-066-3,1733-16-0,"Trimethyl propane-1,2,3-tricarboxylate","trimethyl propane-1,2,3-tricarboxylate",COC(=O)CC(CC(=O)OC)C(=O)OC,COC(=O)CC(CC(=O)OC)C(=O)OC,"InChI=1/C9H14O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h6H,4-5H2,1-3H3",C9H14O6,,,,,,IXINWTSBOAMACD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.518,217-070-5,1733-76-2,"1,5-bis(chloromethyl)naphthalene","1,5-bis(chloromethyl)naphthalene",ClCc1cccc2c(CCl)cccc12,ClCc1cccc2c(CCl)cccc12,"InChI=1/C12H10Cl2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H,7-8H2",C12H10Cl2,,,,,,HJTAZXHBEBIQQX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.520,217-072-6,1733-89-7,Potassium 2-naphthylsulphate,2-naphthyl hydrogen sulfate,OS(=O)(=O)Oc1ccc2ccccc2c1,OS(=O)(=O)Oc1ccc2ccccc2c1,"InChI=1/C10H8O4S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)",C10H8O4S.K,,,,,,HXEZIDSFDHEIIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.524,217-076-8,1734-79-8,p-nitrocinnamaldehyde,3-(4-nitrophenyl)acrylaldehyde,[O-][N+](=O)c1ccc(\\C=C\\C=O)cc1,[O-][N+](=O)c1ccc(\C=C\C=O)cc1,InChI=1/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H,C9H7NO3,,,,,,ALGQVMMYDWQDEC-OWOJBTEDSA-N,,,,,,,,,,,
100.015.525,217-077-3,1735-17-7,[2H12]cyclohexane,cyclohexane,C1CCCCC1,C1CCCCC1,InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2,C6D12,,,,,,XDTMQSROBMDMFD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.526,217-078-9,1735-37-1,Bis[4-(trifluoromethoxy)phenyl] sulphone,"1,1'-sulfonylbis[4-(trifluoromethoxy)benzene]",FC(F)(F)Oc1ccc(cc1)S(=O)(=O)c2ccc(OC(F)(F)F)cc2,FC(F)(F)Oc1ccc(cc1)S(=O)(=O)c2ccc(OC(F)(F)F)cc2,"InChI=1/C14H8F6O4S/c15-13(16,17)23-9-1-5-11(6-2-9)25(21,22)12-7-3-10(4-8-12)24-14(18,19)20/h1-8H",C14H8F6O4S,,,,,,YNWANXHSJBKIAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.528,217-081-5,1735-91-7,(2-nitro-4-trifluorobenzyl)acetic acid,[2-nitro-4-(trifluoromethyl)phenyl]acetic acid,OC(=O)Cc1ccc(cc1N(=O)=O)C(F)(F)F,OC(=O)Cc1ccc(cc1N(=O)=O)C(F)(F)F,"InChI=1/C9H6F3NO4/c10-9(11,12)6-2-1-5(3-8(14)15)7(4-6)13(16)17/h1-2,4H,3H2,(H,14,15)",C9H6F3NO4,,,,,,DUDZAZPWJFTDPV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.582,225-940-0,5162-63-0,"2,4,6,8-tetramethyl-2,4,6,8-tetravinylcyclotetrasilazane","2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetrazatetrasilocane",C[Si]1(N[Si](C)(N[Si](C)(N[Si](C)(N1)C=C)C=C)C=C)C=C,C[Si]1(N[Si](C)(N[Si](C)(N[Si](C)(N1)C=C)C=C)C=C)C=C,"InChI=1/C12H28N4Si4/c1-9-17(5)13-18(6,10-2)15-20(8,12-4)16-19(7,11-3)14-17/h9-16H,1-4H2,5-8H3",C12H28N4Si4,,,,,,TWALPEXSVOIFMC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.584,225-942-1,5164-15-8,Ammonium hydrogen oxalohydroximate,ammonium hydrogen (hydroxyimino)(oxido)acetate,[H+].[NH4+].[O-]C(=O)C([O-])=NO,[H+].[NH4+].[O-]C(=O)C([O-])=NO,"InChI=1/C2H3NO4.H3N.H2/c4-1(3-7)2(5)6;;/h7H,(H,3,4)(H,5,6);1H3;1H/q;;+1/p-1",C2H4N2O4.H3N,,,,,,ZSVMVSRBZBKPBR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.585,225-943-7,5164-78-3,"(E,E)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one","4-but-2-en-1-ylidene-3,5,5-trimethylcyclohex-2-en-1-one",C/C/1=C/C(=O)CC(C)(C)C\\1=C\\C=CC,C/C/1=C/C(=O)CC(C)(C)C\1=C\C=CC,"InChI=1/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3",C13H18O,,,,,,CBQXHTWJSZXYSK-DOHVUMKLSA-N,,,,,,,,,,,
100.023.588,225-946-3,5165-81-1,4'-chloro-3-hydroxy-2'-methoxy-5'-methyl-2-naphthanilide,N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-2-naphthamide,COc1cc(Cl)c(C)cc1NC(=O)c2cc3ccccc3cc2O,COc1cc(Cl)c(C)cc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C19H16ClNO3/c1-11-7-16(18(24-2)10-15(11)20)21-19(23)14-8-12-5-3-4-6-13(12)9-17(14)22/h3-10,22H,1-2H3,(H,21,23)",C19H16ClNO3,,,,,,COXPEQKIFMVQIO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.590,225-948-4,5165-97-9,Sodium 2-methyl-2-[(1-oxoallyl)amino]propanesulphonate,sodium 2-(acryloylamino)-2-methylpropane-1-sulfonate,[Na+].CC(C)(CS(=O)(=O)[O-])NC(=O)C=C,[Na+].CC(C)(CS(=O)(=O)[O-])NC(=O)C=C,"InChI=1/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1",C7H13NO4S.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15188,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.590,FWFUWXVFYKCSQA-UHFFFAOYSA-M,,,,,,,,,,,
100.023.600,225-959-4,5178-56-3,"9H-fluorene-2,7-diamine monohydrochloride","9H-fluorene-2,7-diamine hydrochloride",Cl.Nc1ccc2c(Cc3cc(N)ccc23)c1,Cl.Nc1ccc2c(Cc3cc(N)ccc23)c1,"InChI=1/C13H12N2.ClH/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;/h1-4,6-7H,5,14-15H2;1H",C13H12N2.ClH,,,,,,COOWDVCIUYIBFE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.602,225-962-0,5182-30-9,"Trisodium naphthalene-1,3,6-trisulphonate","trisodium naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O9S3.3Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3",C10H8O9S3.3Na,,,,,,NJPKYOIXTSGVAN-UHFFFAOYSA-K,,,,,,,,,,,
100.023.603,225-963-6,5182-36-5,"2,4,6-trimethyl-4-phenyl-1,3-dioxane","2,4,6-trimethyl-4-phenyl-1,3-dioxane",CC1CC(C)(OC(C)O1)c2ccccc2,CC1CC(C)(OC(C)O1)c2ccccc2,"InChI=1/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",C13H18O2,,,,,,IEZPIUQRQRWIFE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.605,225-965-7,5183-78-8,N-methylbenzenesulphonamide,N-methylbenzenesulfonamide,CNS(=O)(=O)c1ccccc1,CNS(=O)(=O)c1ccccc1,"InChI=1/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3",C7H9NO2S,,,,,,SVDVKEBISAOWJT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.607,225-967-8,5187-23-5,"5-ethyl-1,3-dioxane-5-methanol","(5-ethyl-1,3-dioxan-5-yl)methanol",CCC1(CO)COCOC1,CCC1(CO)COCOC1,"InChI=1/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3",C7H14O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11057,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.607,BGFBWRWYROQISE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.610,225-970-4,7/11/5189,"Malic acid, compound with 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine (1:1)","2-hydroxysuccinic acid - 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine (1:1)",CN1CCC(=C2c3ccccc3CCc4sccc24)CC1.OC(CC(=O)O)C(=O)O,CN1CCC(=C2c3ccccc3CCc4sccc24)CC1.OC(CC(=O)O)C(=O)O,"InChI=1/C19H21NS.C4H6O5/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-2(4(8)9)1-3(6)7/h2-5,10,13H,6-9,11-12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)",C19H21NS.C4H6O5,,,,,,IWAWCPZVTXCFKD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.612,225-973-0,5189-62-8,"Solanid-5-en-3-ol, hydrochloride, (3ß)-",solanid-5-en-3-ol hydrochloride,Cl.C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,Cl.C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,"InChI=1/C27H43NO.ClH/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4;/h6,16-17,19-25,29H,5,7-15H2,1-4H3;1H",C27H43NO.ClH,,,,,,GFSDTBOYJKNJHE-QQGZXNMISA-N,,,,,,,,,,,
100.023.617,225-978-8,5192-84-7,Trengestone,"6-chloropregna-1,4,6-triene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H25ClO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h6,8,10-11,14-17H,4-5,7,9H2,1-3H3",C21H25ClO2,,,,,,USXVMPAWZOOYDE-HGUQNLGYSA-N,,,,,,,,,,,
100.022.912,225-203-3,4712-70-3,7-amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride,7-amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride,[Cl-].CCN(CC)c1cc2[o+]c3cc(N)ccc3nc2cc1C,[Cl-].CCN(CC)c1cc2[o+]c3cc(N)ccc3nc2cc1C,"InChI=1/C17H20N3O.ClH/c1-4-20(5-2)15-10-17-14(8-11(15)3)19-13-7-6-12(18)9-16(13)21-17;/h6-10H,4-5,18H2,1-3H3;1H/q+1;/p-1",C17H20N3O.Cl,,,,,,ZFXFGZCHDHIYSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.022.913,225-204-9,4714-23-2,1-chloro-4-(2-phenylvinyl)benzene,1-chloro-4-(2-phenylvinyl)benzene,Clc1ccc(\\C=C\\c2ccccc2)cc1,Clc1ccc(\C=C\c2ccccc2)cc1,InChI=1/C14H11Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,C14H11Cl,,,,,,TTYKTMUIQGPMMH-VOTSOKGWSA-N,,,,,,,,,,,
100.022.915,225-207-5,4717-96-8,Tetrahydro-4-methyl-2H-pyran,4-methyltetrahydro-2H-pyran,CC1CCOCC1,CC1CCOCC1,"InChI=1/C6H12O/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3",C6H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16931,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.915,OVRKATYHWPCGPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.923,225-215-9,4722-99-0,Barium diricinoleate,barium bis(12-hydroxyoctadec-9-enoate),[Ba+2].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Ba+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O3.Ba/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H34O3.1/2Ba,,,,,,RAKMKCZMVZBODU-GNNYBVKZSA-L,,,,,,,,,,,
100.022.927,225-220-6,4726-96-9,O-benzyl-L-serine,O-benzylserine,N[C@@H](COCc1ccccc1)C(=O)O,N[C@@H](COCc1ccccc1)C(=O)O,"InChI=1/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",C10H13NO3,,,,,,IDGQXGPQOGUGIX-VIFPVBQESA-N,,,,,,,,,,,
100.013.712,215-083-0,1300-35-2,Aluminium tris(hydroxybenzenesulphonate),aluminum tris(2-hydroxybenzenesulfonate),[Al+3].Oc1ccccc1S(=O)(=O)[O-].Oc2ccccc2S(=O)(=O)[O-].Oc3ccccc3S(=O)(=O)[O-],[Al+3].Oc1ccccc1S(=O)(=O)[O-].Oc2ccccc2S(=O)(=O)[O-].Oc3ccccc3S(=O)(=O)[O-],"InChI=1/3C6H6O4S.Al/c3*7-5-3-1-2-4-6(5)11(8,9)10;/h3*1-4,7H,(H,8,9,10);/q;;;+3/p-3",C6H6O4S.1/3Al,,,,,,UKSASPUQUJKXGV-UHFFFAOYSA-K,,,,,,,,,,,
100.013.719,215-090-9,1300-72-7,Sodium xylenesulphonate,"sodium 3,4-dimethylbenzenesulfonate",[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-],[Na+].Cc1ccc(cc1C)S(=O)(=O)[O-],"InChI=1/C8H10O3S.Na/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1",C8H10O3S.Na,,,,,,QUCDWLYKDRVKMI-UHFFFAOYSA-M,,,,,,,,,,,
100.013.742,215-115-3,1303-11-3,Indium arsenide,arsinidyneindium,[As]#[In],[As]#[In],InChI=1/As.In/rAsIn/c1-2,AsIn,,,,,,RPQDHPTXJYYUPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.746,215-120-0,1303-52-2,Gold trihydroxide,gold trihydroxide,[OH-].[OH-].[OH-].[Au+].[Au+].[Au+],[OH-].[OH-].[OH-].[Au+].[Au+].[Au+],InChI=1/3Au.3H2O/h;;;3*1H2/q3*+1;;;/p-3,AuH3O3,,,,,,BWSYBTZGUBSFMS-UHFFFAOYSA-K,,,,,,,,,,,
100.025.466,228-012-3,6076-38-6,"2,3-bis(octadecyloxy)propan-1-ol","2,3-bis(octadecyloxy)propan-1-ol",CCCCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCCCC,"InChI=1/C39H80O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-38-39(37-40)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38H2,1-2H3",C39H80O3,,,,,,QEHCYTDFERPPPU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.472,228-019-1,6086-29-9,N-(4-amino-3-nitrophenyl)acetamide,N-(4-amino-3-nitrophenyl)acetamide,CC(=O)Nc1ccc(N)c(c1)[N+](=O)[O-],CC(=O)Nc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C8H9N3O3/c1-5(12)10-6-2-3-7(9)8(4-6)11(13)14/h2-4H,9H2,1H3,(H,10,12)",C8H9N3O3,,,,,,MGVDUDAXURKVCE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.473,228-020-7,6087-53-2,4-(diethylamino)-2-ethoxybenzenediazonium trichlorozincate,4-(diethylamino)-2-ethoxybenzenediazonium trichlorozincate(1-),CCOc1cc(ccc1[N+]#N)N(CC)CC.Cl[Zn-](Cl)Cl,CCOc1cc(ccc1[N+]#N)N(CC)CC.Cl[Zn-](Cl)Cl,"InChI=1/C12H18N3O.3ClH.Zn/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;;;;/h7-9H,4-6H2,1-3H3;3*1H;/q+1;;;;+2/p-3/rC12H18N3O.Cl3Zn/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;1-4(2)3/h7-9H,4-6H2,1-3H3;/q+1;-1",C12H18N3O.Cl3Zn,,,,,,GSRZWTOKFDGXLC-UHFFFAOYSA-K,,,,,,,,,,,
100.025.481,228-029-6,6090-15-9,"2,6-dimethylhept-5-en-2-ol","2,6-dimethylhept-5-en-2-ol",CC(=CCCC(C)(C)O)C,CC(=CCCC(C)(C)O)C,"InChI=1/C9H18O/c1-8(2)6-5-7-9(3,4)10/h6,10H,5,7H2,1-4H3",C9H18O,,,,,,URIIVOSFQJXLPT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.486,228-034-3,6091-64-1,Ethyl 2-bromobenzoate,ethyl 2-bromobenzoate,CCOC(=O)c1ccccc1Br,CCOC(=O)c1ccccc1Br,"InChI=1/C9H9BrO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3",C9H9BrO2,,,,,,BIHHBTVQFPVSTE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.487,228-035-9,6092-39-3,"2,3-dichloro-2-methylpropiononitrile","2,3-dichloro-2-methylpropanenitrile",CC(Cl)(CCl)C#N,CC(Cl)(CCl)C#N,"InChI=1/C4H5Cl2N/c1-4(6,2-5)3-7/h2H2,1H3",C4H5Cl2N,,,,,,UABGZMHKAQKPDG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.490,228-039-0,6092-80-4,O-phenylhydroxylamine hydrochloride,(aminooxy)benzene hydrochloride,Cl.NOc1ccccc1,Cl.NOc1ccccc1,"InChI=1/C6H7NO.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H,7H2;1H",C6H7NO.ClH,,,,,,DBTXKJJSFWZJNS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.496,228-045-3,6095-42-7,Trihexyl phosphite,trihexyl phosphite,CCCCCCOP(OCCCCCC)OCCCCCC,CCCCCCOP(OCCCCCC)OCCCCCC,"InChI=1/C18H39O3P/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-18H2,1-3H3",C18H39O3P,,,,,,DSKYTPNZLCVELA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.580,228-137-3,6142-40-1,[[(phenylamino)thioxomethyl]amino]methyl diethyldithiocarbamate,[(phenylcarbamothioyl)amino]methyl diethyldithiocarbamate,CCN(CC)C(=S)SCNC(=S)Nc1ccccc1,CCN(CC)C(=S)SCNC(=S)Nc1ccccc1,"InChI=1/C13H19N3S3/c1-3-16(4-2)13(18)19-10-14-12(17)15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,14,15,17)",C13H19N3S3,,,,,,RGLOIUKDSUIXEA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.586,228-144-1,6143-29-9,Norborn-5-en-2-yl acetate,bicyclo[2.2.1]hept-5-en-2-yl acetate,CC(=O)OC1CC2CC1C=C2,CC(=O)OC1CC2CC1C=C2,"InChI=1/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3",C9H12O2,,,,,,DRWRVXAXXGJZIO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.752,231-626-4,7659-86-1,2-ethylhexyl mercaptoacetate,2-ethylhexyl sulfanylacetate,CCCCC(CC)COC(=O)CS,CCCCC(CC)COC(=O)CS,"InChI=1/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3",C10H20O2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13385,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.752,OWHSTLLOZWTNTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.760,231-635-3,7664-41-7,"Ammonia, anhydrous",ammonia,N,N,InChI=1/H3N/h1H3,H3N,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15557,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.760,QGZKDVFQNNGYKY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.761,231-636-9,7664-66-6,4-isopropoxyaniline,4-isopropoxyaniline,CC(C)Oc1ccc(N)cc1,CC(C)Oc1ccc(N)cc1,"InChI=1/C9H13NO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,10H2,1-2H3",C9H13NO,,,,,,MLNFMFAMNBGAQT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.765,231-641-6,7665-99-8,"Guanosine cyclic 3',5'-(hydrogen phosphate)","2-amino-9-(2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1,9-dihydro-6H-purin-6-one",NC1=Nc2c(ncn2[C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)C(=O)N1,NC1=Nc2c(ncn2[C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)C(=O)N1,"InChI=1/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)",C10H12N5O7P,,,,,,ZOOGRGPOEVQQDX-UUOKFMHZSA-N,,,,,,,,,,,
100.028.766,231-642-1,7666-52-6,5-chloro-1-methyl-2-phenyl-1H-imidazole,5-chloro-1-methyl-2-phenyl-1H-imidazole,Cn1c(Cl)cnc1c2ccccc2,Cn1c(Cl)cnc1c2ccccc2,"InChI=1/C10H9ClN2/c1-13-9(11)7-12-10(13)8-5-3-2-4-6-8/h2-7H,1H3",C10H9ClN2,,,,,,VRRDPPHOZQOYGA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.770,231-646-3,7672-76-6,"a,a'-dimethylpiperazine-1,4-diethanol","1,1'-piperazine-1,4-diyldipropan-2-ol",CC(O)CN1CCN(CC(C)O)CC1,CC(O)CN1CCN(CC(C)O)CC1,"InChI=1/C10H22N2O2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h9-10,13-14H,3-8H2,1-2H3",C10H22N2O2,,,,,,ZRMOLCPODIMNPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.772,231-648-4,8/09/7673,"N2,N4,N6-trichloro-2,4,6-triamino-s-triazine","N,N',N''-trichloro-1,3,5-triazine-2,4,6-triamine",ClNc1nc(NCl)nc(NCl)n1,ClNc1nc(NCl)nc(NCl)n1,"InChI=1/C3H3Cl3N6/c4-10-1-7-2(11-5)9-3(8-1)12-6/h(H3,7,8,9,10,11,12)",C3H3Cl3N6,,,,,,KEPNSIARSTUPGS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.781,231-658-9,7680-73-1,1-methylpyridinium chloride,1-methylpyridinium chloride,[Cl-].C[n+]1ccccc1,[Cl-].C[n+]1ccccc1,"InChI=1/C6H8N.ClH/c1-7-5-3-2-4-6-7;/h2-6H,1H3;1H/q+1;/p-1",C6H8N.Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10934,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.781,QAIGYXWRIHZZAA-UHFFFAOYSA-M,,,,,,,,,,,
100.028.789,231-667-8,7681-49-4,Sodium fluoride,sodium fluoride,[F-].[Na+],[F-].[Na+],InChI=1/FH.Na/h1H;/q;+1/p-1,FNa,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14274,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.789,PUZPDOWCWNUUKD-UHFFFAOYSA-M,,,,,,,,,,,
100.028.796,231-675-1,7681-76-7,Ronidazole,(1-methyl-5-nitro-1H-imidazol-2-yl)methyl carbamate,Cn1c(COC(=O)N)ncc1[N+](=O)[O-],Cn1c(COC(=O)N)ncc1[N+](=O)[O-],"InChI=1/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)",C6H8N4O4,,,,,,PQFRTXSWDXZRRS-UHFFFAOYSA-N,Positive,mzcloud:2274,[M+H]+,HCD_Averaged,140.04545:110.0475:94.0526:82.05255:67.0417:66.03383:52.0182:53.02603:54.03383:55.04165,HighChem,,,,,
100.013.338,214-671-4,1184-64-1,Copper carbonate,copper(2+) carbonate,[Cu+2].[O-]C([O-])=O,[Cu+2].[O-]C([O-])=O,"InChI=1/CH2O3.Cu/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Cu,,,,,,GEZOTWYUIKXWOA-UHFFFAOYSA-L,,,,,,,,,,,
100.013.340,214-674-0,1184-68-5,Guanidinium sulphate,bis[amino(imino)methanaminium] sulfate,NC(=N)[NH3+].NC(=N)[NH3+].[O-]S(=O)(=O)[O-],NC(=N)[NH3+].NC(=N)[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2CH5N3.H2O4S/c2*2-1(3)4;1-5(2,3)4/h2*(H5,2,3,4);(H2,1,2,3,4)",CH5N3.xH2O4S,,,,,,UYAKTBUPMOOXNW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.341,214-675-6,1184-78-7,"Trimethylamine, N-oxide",trimethylamine oxide,C[N+](C)(C)[O-],C[N+](C)(C)[O-],"InChI=1/C3H9NO/c1-4(2,3)5/h1-3H3",C3H9NO,,,,,,UYPYRKYUKCHHIB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.344,214-678-2,1184-88-9,Sodium pivalate,sodium pivalate,[Na+].CC(C)(C)C(=O)[O-],[Na+].CC(C)(C)C(=O)[O-],"InChI=1/C5H10O2.Na/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1",C5H10O2.Na,,,,,,SJRDNQOIQZOVQD-UHFFFAOYSA-M,,,,,,,,,,,
100.013.347,214-681-9,1185-33-7,"2,2-dimethylbutan-1-ol","2,2-dimethylbutan-1-ol",CCC(C)(C)CO,CCC(C)(C)CO,"InChI=1/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3",C6H14O,,,,,,XRMVWAKMXZNZIL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.348,214-682-4,1185-39-3,"2,2-dimethylvaleric acid","2,2-dimethylpentanoic acid",CCCC(C)(C)C(=O)O,CCCC(C)(C)C(=O)O,"InChI=1/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)",C7H14O2,,,,,,ZRYCZAWRXHAAPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.361,214-697-6,1187-42-4,Diaminomaleonitrile,"2,3-diaminobut-2-enedinitrile",N\\C(=C(/N)\\C#N)\\C#N,N\C(=C(/N)\C#N)\C#N,InChI=1/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2,C4H4N4,,,,,,DPZSNGJNFHWQDC-ARJAWSKDSA-N,,,,,,,,,,,
100.015.533,217-086-2,1737-11-7,"a,a,ß,ß-tetrafluoro-p-methylphenetole","1-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene",Cc1ccc(OC(F)(F)C(F)F)cc1,Cc1ccc(OC(F)(F)C(F)F)cc1,"InChI=1/C9H8F4O/c1-6-2-4-7(5-3-6)14-9(12,13)8(10)11/h2-5,8H,1H3",C9H8F4O,,,,,,VACIXOPZIXUAKS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.540,217-094-6,1738-76-7,O-benzylglycine toluene-p-sulphonate,benzyl glycinate 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)O.NCC(=O)OCc2ccccc2,Cc1ccc(cc1)S(=O)(=O)O.NCC(=O)OCc2ccccc2,"InChI=1/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)",C9H11NO2.C7H8O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18189,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.540,WJKJXKRHMUXQSL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.548,217-102-8,1740-19-8,"[1R-(1a,4aß,10aa)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid","abieta-8,11,13-trien-18-oic acid",CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(=O)O)c1,CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(=O)O)c1,"InChI=1/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)",C20H28O2,,,,,,NFWKVWVWBFBAOV-MISYRCLQSA-N,,,,,,,,,,,
100.015.550,217-104-9,1740-57-4,Isophthaldiamide,isophthalamide,NC(=O)c1cccc(c1)C(=O)N,NC(=O)c1cccc(c1)C(=O)N,"InChI=1/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)",C8H8N2O2,,,,,,QZUPTXGVPYNUIT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.553,217-108-0,1742-14-9,"a-(3,4-dimethylphenyl)-a-methyl-3,4-dimethyltoluene","1,1'-ethane-1,1-diylbis(3,4-dimethylbenzene)",CC(c1ccc(C)c(C)c1)c2ccc(C)c(C)c2,CC(c1ccc(C)c(C)c1)c2ccc(C)c(C)c2,"InChI=1/C18H22/c1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18/h6-11,16H,1-5H3",C18H22,,,,,,NCSVCMFDHINRJE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.557,217-112-2,1743-13-1,"Octahydro[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine","octahydro[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine",C1NNCN2CNNCN12,C1NNCN2CNNCN12,"InChI=1/C4H12N6/c1-5-6-3-10-4-8-7-2-9(1)10/h5-8H,1-4H2",C4H12N6,,,,,,RRIGVQQUVAETIG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.559,217-114-3,1743-61-9,"1,4-dimethyl-4-vinylcyclohexene","1,4-dimethyl-4-vinylcyclohexene",CC1=CCC(C)(CC1)C=C,CC1=CCC(C)(CC1)C=C,"InChI=1/C10H16/c1-4-10(3)7-5-9(2)6-8-10/h4-5H,1,6-8H2,2-3H3",C10H16,,,,,,CPUVYIYQJVQFRD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.815,219-596-0,2/03/2473,1-chloroundecane,1-chloroundecane,CCCCCCCCCCCCl,CCCCCCCCCCCCl,"InChI=1/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3",C11H23Cl,,,,,,ZHKKNUKCXPWZOP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.818,219-599-7,2475-33-4,"16,23-dihydronaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2'3'-i]carbazole-5,10,15,17,22,24-hexone","6,23-dihydrodinaphtho[2,3-a:2',3'-i]naphtho[2',3':6,7]indolo[2,3-c]carbazole-5,7,12,17,22,24-hexone",O=C1c2ccccc2C(=O)c3c1ccc4c3[nH]c5c6C(=O)c7ccccc7C(=O)c6c8[nH]c9c%10C(=O)c%11ccccc%11C(=O)c%10ccc9c8c45,O=C1c2ccccc2C(=O)c3c1ccc4c3[nH]c5c6C(=O)c7ccccc7C(=O)c6c8[nH]c9c%10C(=O)c%11ccccc%11C(=O)c%10ccc9c8c45,"InChI=1/C42H18N2O6/c45-37-17-7-1-3-9-19(17)39(47)29-25(37)15-13-23-27-28-24-14-16-26-30(40(48)20-10-4-2-8-18(20)38(26)46)34(24)44-36(28)32-31(35(27)43-33(23)29)41(49)21-11-5-6-12-22(21)42(32)50/h1-16,43-44H",C42H18N2O6,,,,,,DCYIADGZPJOOFN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.820,219-601-6,2475-43-6,5-methyl-4-[(4-nitrophenyl)azo]-o-anisidine,2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]aniline,Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)[N+]([O-])=O,Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)[N+]([O-])=O,"InChI=1/C14H14N4O3/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)18(19)20/h3-8H,15H2,1-2H3",C14H14N4O3,,,,,,TUSSBGHDSRBBFW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.822,219-603-7,2475-45-8,"1,4,5,8-tetraaminoanthraquinone","1,4,5,8-tetraamino-9,10-anthraquinone",Nc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12,Nc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12,"InChI=1/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2",C14H12N4O2,,,,,,JSFUMBWFPQSADC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.824,219-605-8,2476-37-1,"2',5'-dichloroacetophenone","1-(2,5-dichlorophenyl)ethanone",CC(=O)c1cc(Cl)ccc1Cl,CC(=O)c1cc(Cl)ccc1Cl,"InChI=1/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3",C8H6Cl2O,,,,,,CYNFEPKQDJHIMV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.828,219-610-5,2478-38-8,"4'-hydroxy-3',5'-dimethoxyacetophenone","1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone",COc1cc(cc(OC)c1O)C(=O)C,COc1cc(cc(OC)c1O)C(=O)C,"InChI=1/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3",C10H12O4,,,,,,OJOBTAOGJIWAGB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.290,214-619-0,1166-46-7,"(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,CC(=CC1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,"InChI=1/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3",C19H25NO4,,,,,,CXBMCYHAMVGWJQ-LOACHALJSA-N,,,,,,,,,,,
100.013.300,214-630-0,1172-18-5,Flurazepam hydrochloride,"7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one dihydrochloride",Cl.Cl.CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,Cl.Cl.CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,"InChI=1/C21H23ClFN3O.2ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;;/h5-10,13H,3-4,11-12,14H2,1-2H3;2*1H",C21H23ClFN3O.2ClH,,,,,,ZIIJJOPLRSCQNX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.301,214-631-6,1172-42-5,"Adenosine 5'-(trihydrogen diphosphate), monosodium salt",sodium 9-{5-O-[(phosphonooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine,Nc1ncnc2c1ncn2C3OC(COP(=O)(O[Na])OP(=O)(O)O)C(O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O[Na])OP(=O)(O)O)C(O)C3O,"InChI=1/C10H15N5O10P2.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q;+1/p-1/rC10H14N5NaO10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(24-10)1-23-28(22,25-16)26-27(19,20)21/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)(H2,19,20,21)",C10H15N5O10P2.Na,,,,,,NYEHFIIOXORNJT-UHFFFAOYSA-M,,,,,,,,,,,
100.013.318,214-649-4,1179-87-9,"16-a,17-dihydroxy-a-methylbenzylidenedioxyprogesterone","6b-acetyl-8-benzyl-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC(=O)C12OC(Cc3ccccc3)OC1CC4C5CCC6=CC(=O)CCC6(C)C5CCC24C,CC(=O)C12OC(Cc3ccccc3)OC1CC4C5CCC6=CC(=O)CCC6(C)C5CCC24C,"InChI=1/C29H36O4/c1-18(30)29-25(32-26(33-29)15-19-7-5-4-6-8-19)17-24-22-10-9-20-16-21(31)11-13-27(20,2)23(22)12-14-28(24,29)3/h4-8,16,22-26H,9-15,17H2,1-3H3",C29H36O4,,,,,,RNUFNIIVBDIJQB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.320,214-652-0,1180-95-6,"Sodium 2-[[(3a,5ß,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate","sodium 2-[(3,12-dihydroxy-24-oxocholan-24-yl)amino]ethanesulfonate",[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1",C26H45NO6S.Na,,,,,,YXHRQQJFKOHLAP-FVCKGWAHSA-M,,,,,,,,,,,
100.013.327,214-659-9,1182-87-2,"(3ß,5ß)-3-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide",3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide,COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)C1O,COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)C1O,"InChI=1/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3",C30H44O9,,,,,,PMTSPAGBAFCORP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.538,228-091-4,6123-63-3,1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one,1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone,CC(=O)c1cnn(c1C)c2ccccc2,CC(=O)c1cnn(c1C)c2ccccc2,"InChI=1/C12H12N2O/c1-9-12(10(2)15)8-13-14(9)11-6-4-3-5-7-11/h3-8H,1-2H3",C12H12N2O,,,,,,FZEDJUVQMGBVRC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.539,228-093-5,6124-56-7,"4,5-epoxyhexan-3-one",1-(3-methyloxiran-2-yl)propan-1-one,CCC(=O)C1OC1C,CCC(=O)C1OC1C,"InChI=1/C6H10O2/c1-3-5(7)6-4(2)8-6/h4,6H,3H2,1-2H3",C6H10O2,,,,,,AYDFAMFONQBYIC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.543,228-097-7,4/01/6130,4-(ethylamino)-m-toluenediazonium trichlorozincate,2-(ethylamino)-5-methylbenzenediazonium trichlorozincate(1-),CCNc1ccc(C)cc1[N+]#N.Cl[Zn-](Cl)Cl,CCNc1ccc(C)cc1[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C9H12N3.3ClH.Zn/c1-3-11-8-5-4-7(2)6-9(8)12-10;;;;/h4-6,11H,3H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC9H12N3.Cl3Zn/c1-3-11-8-5-4-7(2)6-9(8)12-10;1-4(2)3/h4-6,11H,3H2,1-2H3;/q+1;-1",C9H12N3.Cl3Zn,,,,,,RIASYEHFQRZFMC-UHFFFAOYSA-K,,,,,,,,,,,
100.025.547,228-101-7,6130-96-7,"1,1-dichloro-3,3-dimethylbutane","1,1-dichloro-3,3-dimethylbutane",CC(C)(C)CC(Cl)Cl,CC(C)(C)CC(Cl)Cl,"InChI=1/C6H12Cl2/c1-6(2,3)4-5(7)8/h5H,4H2,1-3H3",C6H12Cl2,,,,,,BLRPQFOUUPCTED-UHFFFAOYSA-N,,,,,,,,,,,
100.025.549,228-103-8,7/02/6134,"6-tridecyl-1,3,5-triazine-2,4-diamine","6-tridecyl-1,3,5-triazine-2,4-diamine",CCCCCCCCCCCCCc1nc(N)nc(N)n1,CCCCCCCCCCCCCc1nc(N)nc(N)n1,"InChI=1/C16H31N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15(17)21-16(18)20-14/h2-13H2,1H3,(H4,17,18,19,20,21)",C16H31N5,,,,,,IHZNXUFURDYYKI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.551,228-105-9,6134-69-6,"Methyl 2,2-dichloroacetoacetate",methyl 4-chloro-2-(chloroacetyl)-3-oxobutanoate,COC(=O)C(C(=O)CCl)C(=O)CCl,COC(=O)C(C(=O)CCl)C(=O)CCl,"InChI=1/C7H8Cl2O4/c1-13-7(12)6(4(10)2-8)5(11)3-9/h6H,2-3H2,1H3",C5H6Cl2O3,,,,,,VBUHAGWDZCWTEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.562,228-117-4,6137-45-7,3-bromo-N-(4-bromophenyl)-5-chlorosalicylamide,3-bromo-N-(4-bromophenyl)-5-chloro-2-hydroxybenzamide,Oc1c(Br)cc(Cl)cc1C(=O)Nc2ccc(Br)cc2,Oc1c(Br)cc(Cl)cc1C(=O)Nc2ccc(Br)cc2,"InChI=1/C13H8Br2ClNO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(16)6-11(15)12(10)18/h1-6,18H,(H,17,19)",C13H8Br2ClNO2,,,,,,AYNCRQOBEAHNTP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.498,228-047-4,2/03/6099,trans-2-methoxycinnamic acid,3-(2-methoxyphenyl)acrylic acid,COc1ccccc1\\C=C\\C(=O)O,COc1ccccc1\C=C\C(=O)O,"InChI=1/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O3,,,,,,FEGVSPGUHMGGBO-VOTSOKGWSA-N,,,,,,,,,,,
100.027.126,229-838-7,6777-00-0,3-(allyloxy)oxetane,3-(allyloxy)oxetane,C=CCOC1COC1,C=CCOC1COC1,"InChI=1/C6H10O2/c1-2-3-8-6-4-7-5-6/h2,6H,1,3-5H2",C6H10O2,,,,,,NONFBYUIHZQHQT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.128,229-840-8,6780-38-7,"1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetyl chloride","(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl chloride",ClC(=O)CN1C(=O)c2ccccc2C1=O,ClC(=O)CN1C(=O)c2ccccc2C1=O,"InChI=1/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2",C10H6ClNO3,,,,,,RHZBRCQIKQUQHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.133,229-846-0,6784-13-0,"ß,4-dimethylcyclohex-3-ene-1-propan-1-al",3-(4-methylcyclohex-3-en-1-yl)butanal,CC(CC=O)C1CCC(=CC1)C,CC(CC=O)C1CCC(=CC1)C,"InChI=1/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,8,10-11H,4-7H2,1-2H3",C11H18O,,,,,,VJYFMQREUJXCQV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.140,229-853-9,6787-77-5,Magnesium phenylglycolate,magnesium bis[hydroxy(phenyl)acetate],[Mg+2].OC(C(=O)[O-])c1ccccc1.OC(C(=O)[O-])c2ccccc2,[Mg+2].OC(C(=O)[O-])c1ccccc1.OC(C(=O)[O-])c2ccccc2,"InChI=1/2C8H8O3.Mg/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2",C8H8O3.xMg,,,,,,RPONRISSUINNRF-UHFFFAOYSA-L,,,,,,,,,,,
100.014.643,216-107-2,1499-21-4,Diphenylphosphinic chloride,diphenylphosphinic chloride,ClP(=O)(c1ccccc1)c2ccccc2,ClP(=O)(c1ccccc1)c2ccccc2,"InChI=1/C12H10ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10ClOP,,,,,,QPQGTZMAQRXCJW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.647,216-111-4,1499-59-8,"17-a,21-dihydroxy-5-ß-pregnane-3,11,20-trione 21-acetate","17-hydroxy-3,11,20-trioxopregnan-21-yl acetate",CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC12C,CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC12C,"InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14,16-17,20,28H,4-12H2,1-3H3",C23H32O6,,,,,,AZCNJEFLSOQGST-UHFFFAOYSA-N,,,,,,,,,,,
100.014.653,216-118-2,1502-03-0,Cyclododecylamine,cyclododecanamine,NC1CCCCCCCCCCC1,NC1CCCCCCCCCCC1,"InChI=1/C12H25N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11,13H2",C12H25N,,,,,,HBGGBCVEFUPUNY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.655,216-120-3,1502-22-3,2-(1-cyclohexen-1-yl)cyclohexan-1-one,"1,1'-bi(cyclohexan)-1'-en-2-one",O=C1CCCCC1C2=CCCCC2,O=C1CCCCC1C2=CCCCC2,"InChI=1/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2",C12H18O,,,,,,GVNVAWHJIKLAGL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.659,216-125-0,1503-48-6,"Quino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone","quino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone",O=C1C2=C(C(=O)C3=C1C(=O)c4ccccc4N3)C(=O)c5ccccc5N2,O=C1C2=C(C(=O)C3=C1C(=O)c4ccccc4N3)C(=O)c5ccccc5N2,"InChI=1/C20H10N2O4/c23-17-9-5-1-3-7-11(9)21-15-13(17)19(25)16-14(20(15)26)18(24)10-6-2-4-8-12(10)22-16/h1-8H,(H,21,23)(H,22,24)",C20H10N2O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16412,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.659,KSLLMGLKCVSKFF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.663,216-129-2,1504-56-9,"3,4,5-trimethoxycinnamyl alcohol","3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol",COc1cc(\\C=C\\CO)cc(OC)c1OC,COc1cc(\C=C\CO)cc(OC)c1OC,"InChI=1/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3",C12H16O4,,,,,,HZDDMDAKGIRCPP-SNAWJCMRSA-N,,,,,,,,,,,
100.014.666,216-132-9,1505-50-6,3-(p-tolyl)propionic acid,3-(4-methylphenyl)propanoic acid,Cc1ccc(CCC(=O)O)cc1,Cc1ccc(CCC(=O)O)cc1,"InChI=1/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)",C10H12O2,,,,,,LDYGRLNSOKABMM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.671,216-138-1,1508-45-8,Mitopodozide,"N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carbohydrazide",CCNNC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4,CCNNC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4,"InChI=1/C24H30N2O8/c1-5-25-26-24(29)21-15(10-27)22(28)14-9-17-16(33-11-34-17)8-13(14)20(21)12-6-18(30-2)23(32-4)19(7-12)31-3/h6-9,15,20-22,25,27-28H,5,10-11H2,1-4H3,(H,26,29)",C24H30N2O8,,,,,,CPTIBDHUFVHUJK-NZYDNVMFSA-N,,,,,,,,,,,
100.014.672,216-139-7,1508-65-2,4-(diethylamino)but-2-ynyl cyclohexylphenylglycolate hydrochloride,4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate hydrochloride,Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,"InChI=1/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H",C22H31NO3.ClH,,,,,,SWIJYDAEGSIQPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.674,216-141-8,1508-76-5,Procyclidine hydrochloride,1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol hydrochloride,Cl.OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3,Cl.OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3,"InChI=1/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H",C19H29NO.ClH,,,,,,ZFSPFXJSEHCTTR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.677,216-144-4,1509-92-8,N-acetyl-D-methionine,N-acetyl-D-methionine,CSCC[C@@H](NC(=O)C)C(=O)O,CSCC[C@@H](NC(=O)C)C(=O)O,"InChI=1/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)",C7H13NO3S,,,,,,XUYPXLNMDZIRQH-ZCFIWIBFSA-N,,,,,,,,,,,
100.013.362,214-698-1,1187-50-4,N-(N-L-leucylglycyl)glycine,L-leucylglycylglycine,CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)O,CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)O,"InChI=1/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)",C10H19N3O4,,,,,,VWHGTYCRDRBSFI-ZETCQYMHSA-N,,,,,,,,,,,
100.013.369,214-705-8,1188-09-6,"1,3-propanediyl bismethacrylate","propane-1,3-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCCOC(=O)C(=C)C,CC(=C)C(=O)OCCCOC(=O)C(=C)C,"InChI=1/C11H16O4/c1-8(2)10(12)14-6-5-7-15-11(13)9(3)4/h1,3,5-7H2,2,4H3",C11H16O4,,,,,,HTWRFCRQSLVESJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.374,214-711-0,1189-08-8,1-methyltrimethylene dimethacrylate,"butane-1,3-diyl bis(2-methylacrylate)",CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C,CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C,"InChI=1/C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4/h10H,1,3,6-7H2,2,4-5H3",C12H18O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5528,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.374,VDYWHVQKENANGY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.381,215-819-0,1420-55-9,Thiethylperazine,2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,"InChI=1/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3",C22H29N3S2,,,,,,XCTYLCDETUVOIP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.382,215-820-6,1420-68-4,"21-hydroxypregn-4-ene-3,20-dione 21-heptanoate","3,20-dioxopregn-4-en-21-yl heptanoate",CCCCCCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCCCCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C28H42O4/c1-4-5-6-7-8-26(31)32-18-25(30)24-12-11-22-21-10-9-19-17-20(29)13-15-27(19,2)23(21)14-16-28(22,24)3/h17,21-24H,4-16,18H2,1-3H3",C28H42O4,,,,,,UNGDDFDVVHFRQA-FTIQDDARSA-N,,,,,,,,,,,
100.018.061,219-866-8,2555-37-5,3-acetyl-4-hydroxy-2-benzopyrone,3-acetyl-4-hydroxy-2H-chromen-2-one,CC(=O)C1=C(O)c2ccccc2OC1=O,CC(=O)C1=C(O)c2ccccc2OC1=O,"InChI=1/C11H8O4/c1-6(12)9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-5,13H,1H3",C11H8O4,,,,,,UTZHUXAPJIBIBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.065,219-871-5,2556-42-5,Tetrapropylthioperoxydicarbamic acid,"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetrapropane",CCCN(CCC)C(=S)SSC(=S)N(CCC)CCC,CCCN(CCC)C(=S)SSC(=S)N(CCC)CCC,"InChI=1/C14H28N2S4/c1-5-9-15(10-6-2)13(17)19-20-14(18)16(11-7-3)12-8-4/h5-12H2,1-4H3",C14H28N2S4,,,,,,ICEXLMACENYGPP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.067,219-873-6,2556-53-8,Calcium dimethanolate,calcium dimethanolate,[Ca+2].C[O-].C[O-],[Ca+2].C[O-].C[O-],InChI=1/2CH3O.Ca/c2*1-2;/h2*1H3;/q2*-1;+2,CH4O.1/2Ca,,,,,,AMJQWGIYCROUQF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.070,219-876-2,2557-77-9,m-fluorobenzenethiol,3-fluorobenzenethiol,Fc1cccc(S)c1,Fc1cccc(S)c1,"InChI=1/C6H5FS/c7-5-2-1-3-6(8)4-5/h1-4,8H",C6H5FS,,,,,,ZDEUGINAVLMAET-UHFFFAOYSA-N,,,,,,,,,,,
100.018.071,219-877-8,2558-18-1,3-[(4-fluorophenyl)methylene]phthalide,3-(4-fluorobenzylidene)-2-benzofuran-1(3H)-one,Fc1ccc(cc1)C=C3OC(=O)c2ccccc23,Fc1ccc(cc1)C=C3OC(=O)c2ccccc23,InChI=1/C15H9FO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H,C15H9FO2,,,,,,YUUDPCAZITYZNH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.080,219-887-2,2564-35-4,2'-deoxyguanosine 5'-(tetrahydrogen triphosphate),"2-amino-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1,9-dihydro-6H-purin-6-one",NC1=Nc2c(ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C(=O)N1,NC1=Nc2c(ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C(=O)N1,"InChI=1/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)",C10H16N5O13P3,,,,,,HAAZLUGHYHWQIW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.088,219-896-1,2565-82-4,"(E)-1-methoxy-3,7-dimethylocta-2,6-diene","1-methoxy-3,7-dimethylocta-2,6-diene",COC\\C=C(/C)\\CCC=C(C)C,COC\C=C(/C)\CCC=C(C)C,"InChI=1/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3",C11H20O,,,,,,AVJMJMPVWWWELJ-DHZHZOJOSA-N,,,,,,,,,,,
100.018.090,219-898-2,2566-34-9,2-(methylamino)isobutyric acid,"N,2-dimethylalanine",CNC(C)(C)C(=O)O,CNC(C)(C)C(=O)O,"InChI=1/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)",C5H11NO2,,,,,,DLAMVQGYEVKIRE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.094,219-902-2,3/01/2567,3-hydroxy-2-methylpropiononitrile,3-hydroxy-2-methylpropanenitrile,CC(CO)C#N,CC(CO)C#N,"InChI=1/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3",C4H7NO,,,,,,COZQDNPLORIALF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.096,219-904-3,2567-83-1,Tetraethylammonium perchlorate,"N,N,N-triethylethanaminium perchlorate",CC[N+](CC)(CC)CC.[O-]Cl(=O)(=O)=O,CC[N+](CC)(CC)CC.[O-]Cl(=O)(=O)=O,"InChI=1/C8H20N.ClHO4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C8H20N.ClO4,,,,,,WGHUNMFFLAMBJD-UHFFFAOYSA-M,,,,,,,,,,,
100.018.097,219-905-9,1/06/2568,"4,4,6-trimethyl-2-phenyl-1,3-dioxane","4,4,6-trimethyl-2-phenyl-1,3-dioxane",CC1CC(C)(C)OC(O1)c2ccccc2,CC1CC(C)(C)OC(O1)c2ccccc2,"InChI=1/C13H18O2/c1-10-9-13(2,3)15-12(14-10)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3",C13H18O2,,,,,,OHAGICGDFQGNHT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.101,219-910-6,2568-96-9,"2-ethyl-1,3-dioxolane","2-ethyl-1,3-dioxolane",CCC1OCCO1,CCC1OCCO1,"InChI=1/C5H10O2/c1-2-5-6-3-4-7-5/h5H,2-4H2,1H3",C5H10O2,,,,,,WEBRDDDJKLAXTO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.829,219-611-0,2478-67-3,1-amino-2-chloro-4-hydroxyanthraquinone,"1-amino-2-chloro-4-hydroxy-9,10-anthraquinone",Nc1c(Cl)cc(O)c2C(=O)c3ccccc3C(=O)c12,Nc1c(Cl)cc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8ClNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2",C14H8ClNO3,,,,,,MFAVJLWGAQYYNX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.837,219-619-4,2483-47-8,N2-(tert-butoxycarbonyl)-N6-formyl-L-lysine,N~2~-(tert-butoxycarbonyl)-N~6~-formyl-L-lysine,CC(C)(C)OC(=O)N[C@@H](CCCCNC=O)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CCCCNC=O)C(=O)O,"InChI=1/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)",C12H22N2O5,,,,,,QYCPNUMTVZBTMM-VIFPVBQESA-N,,,,,,,,,,,
100.017.850,219-634-6,6/01/2487,Medinoterb acetate,"6-tert-butyl-3-methyl-2,4-dinitrophenyl acetate",CC(=O)Oc1c(cc(c(C)c1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C,CC(=O)Oc1c(cc(c(C)c1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C,"InChI=1/C13H16N2O6/c1-7-10(14(17)18)6-9(13(3,4)5)12(21-8(2)16)11(7)15(19)20/h6H,1-5H3",C13H16N2O6,,,,,,LWULXYSYLOIDQY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.851,219-635-1,2487-26-5,o-nitrophenyl butyrate,2-nitrophenyl butyrate,CCCC(=O)Oc1ccccc1[N+](=O)[O-],CCCC(=O)Oc1ccccc1[N+](=O)[O-],"InChI=1/C10H11NO4/c1-2-5-10(12)15-9-7-4-3-6-8(9)11(13)14/h3-4,6-7H,2,5H2,1H3",C10H11NO4,,,,,,DMBLCROMMOZRCN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.855,219-639-3,2488-15-5,tert-butoxycarbonyl-L-methionine,N-(tert-butoxycarbonyl)-L-methionine,CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O,CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)",C10H19NO4S,,,,,,IMUSLIHRIYOHEV-ZETCQYMHSA-N,,,,,,,,,,,
100.017.858,219-643-5,2489-52-3,3-fluorosulphonylbenzenesulphonyl chloride,3-(chlorosulfonyl)benzenesulfonyl fluoride,FS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl,FS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl,"InChI=1/C6H4ClFO4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H",C6H4ClFO4S2,,,,,,ZPGHDPUCQANFAD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.859,219-644-0,2489-77-2,Trimethyl-2-thiourea,"1,1,3-trimethylthiourea",CNC(=S)N(C)C,CNC(=S)N(C)C,"InChI=1/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)",C4H10N2S,,,,,,JAEZSIYNWDWMMN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.298,223-427-6,3886-91-7,"N,N-dimethylhexadecan-1-amide","N,N-dimethylhexadecanamide",CCCCCCCCCCCCCCCC(=O)N(C)C,CCCCCCCCCCCCCCCC(=O)N(C)C,"InChI=1/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(2)3/h4-17H2,1-3H3",C18H37NO,,,,,,UOYBMZNFJUBBNU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.299,223-428-1,3/02/3887,"N,2-dimethylacrylamide","N,2-dimethylacrylamide",CNC(=O)C(=C)C,CNC(=O)C(=C)C,"InChI=1/C5H9NO/c1-4(2)5(7)6-3/h1H2,2-3H3,(H,6,7)",C5H9NO,,,,,,WFKDPJRCBCBQNT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.306,223-436-5,3891-29-0,N-octadecylaziridine-1-carboxamide,N-octadecylaziridine-1-carboxamide,CCCCCCCCCCCCCCCCCCNC(=O)N1CC1,CCCCCCCCCCCCCCCCCCNC(=O)N1CC1,"InChI=1/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(24)23-19-20-23/h2-20H2,1H3,(H,22,24)",C21H42N2O,,,,,,MEMUMYCLWQPAEX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.308,223-438-6,3891-44-9,"4,5-dimethoxyimidazolidine-2-one","4,5-dimethoxyimidazolidin-2-one",COC1NC(=O)NC1OC,COC1NC(=O)NC1OC,"InChI=1/C5H10N2O3/c1-9-3-4(10-2)7-5(8)6-3/h3-4H,1-2H3,(H2,6,7,8)",C5H10N2O3,,,,,,OSABMSLCGCTLLC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.313,223-443-3,5/09/3894,Cyclohexylphenylacetic acid,cyclohexyl(phenyl)acetic acid,OC(=O)C(C1CCCCC1)c2ccccc2,OC(=O)C(C1CCCCC1)c2ccccc2,"InChI=1/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)",C14H18O2,,,,,,AAJLPPDFIRPBDA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.319,223-450-1,3899-50-1,a-cyclopentyl-a-2-thienylglycollic acid,cyclopentyl(hydroxy)2-thienylacetic acid,OC(=O)C(O)(C1CCCC1)c2cccs2,OC(=O)C(O)(C1CCCC1)c2cccs2,"InChI=1/C11H14O3S/c12-10(13)11(14,8-4-1-2-5-8)9-6-3-7-15-9/h3,6-8,14H,1-2,4-5H2,(H,12,13)",C11H14O3S,,,,,,PMCNGVWJGLTDLF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.320,223-451-7,7/04/3900,Hexyl dihydrogen phosphate,hexyl dihydrogen phosphate,CCCCCCOP(=O)(O)O,CCCCCCOP(=O)(O)O,"InChI=1/C6H15O4P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)",C6H15O4P,,,,,,PHNWGDTYCJFUGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.323,223-454-3,3900-93-4,Cyclopentylphenylacetic acid,cyclopentyl(phenyl)acetic acid,OC(=O)C(C1CCCC1)c2ccccc2,OC(=O)C(C1CCCC1)c2ccccc2,"InChI=1/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)",C13H16O2,,,,,,BCJIDGDYYYBNNB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.324,223-455-9,3/07/3901,Methyl (E)-p-methoxycinnamate,methyl 3-(4-methoxyphenyl)acrylate,COC(=O)\\C=C\\c1ccc(OC)cc1,COC(=O)\C=C\c1ccc(OC)cc1,"InChI=1/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",C11H12O3,,,,,,VEZIKIAGFYZTCI-VMPITWQZSA-N,,,,,,,,,,,
100.021.326,223-458-5,3901-77-7,"2,4,6-trimethyl-2,4,6-trivinylcyclotrisiloxane","2,4,6-trimethyl-2,4,6-trivinyl-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C,C[Si]1(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C,"InChI=1/C9H18O3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-9H,1-3H2,4-6H3",C9H18O3Si3,,,,,,BVTLTBONLZSBJC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.564,228-120-0,6138-47-2,"O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine hydrochloride","O-(4-hydroxy-3-iodophenyl)-3,5-diiodotyrosine hydrochloride",Cl.N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,Cl.N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,"InChI=1/C15H12I3NO4.ClH/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);1H",C15H12I3NO4.ClH,,,,,,HFEMPWKWYHWPQX-YDALLXLXSA-N,,,,,,,,,,,
100.025.568,228-124-2,6140-17-6,"a,a,a-trifluoro-p-xylene",1-methyl-4-(trifluoromethyl)benzene,Cc1ccc(cc1)C(F)(F)F,Cc1ccc(cc1)C(F)(F)F,"InChI=1/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3",C8H7F3,,,,,,LRLRAYMYEXQKID-UHFFFAOYSA-N,,,,,,,,,,,
100.025.570,228-126-3,6140-74-5,Pentadecyl methacrylate,pentadecyl methacrylate,CCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(20)18(2)3/h2,4-17H2,1,3H3",C19H36O2,,,,,,YOTGRUGZMVCBLS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.573,228-130-5,6140-98-3,Tributyl(p-nitrobenzyl)phosphonium bromide,tributyl(4-nitrobenzyl)phosphonium bromide,[Br-].CCCC[P+](CCCC)(CCCC)Cc1ccc(cc1)[N+](=O)[O-],[Br-].CCCC[P+](CCCC)(CCCC)Cc1ccc(cc1)[N+](=O)[O-],"InChI=1/C19H33NO2P.BrH/c1-4-7-14-23(15-8-5-2,16-9-6-3)17-18-10-12-19(13-11-18)20(21)22;/h10-13H,4-9,14-17H2,1-3H3;1H/q+1;/p-1",C19H33NO2P.Br,,,,,,GBUHQPJMZDIXGC-UHFFFAOYSA-M,,,,,,,,,,,
100.025.574,228-131-0,6141-57-7,Methyl 3-methyl-2-furoate,methyl 3-methyl-2-furoate,COC(=O)c1occc1C,COC(=O)c1occc1C,"InChI=1/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3",C7H8O3,,,,,,AQQYRDKMXXSIMP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.575,228-132-6,6141-58-8,Methyl 2-methylfuran-3-carboxylate,methyl 2-methyl-3-furoate,COC(=O)c1ccoc1C,COC(=O)c1ccoc1C,"InChI=1/C7H8O3/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3",C7H8O3,,,,,,UVRRIABXNIGUJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.584,228-142-0,6142-73-0,Methylenecyclopropane,methylenecyclopropane,C=C1CC1,C=C1CC1,InChI=1/C4H6/c1-4-2-3-4/h1-3H2,C4H6,,,,,,XSGHLZBESSREDT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.623,225-985-6,5197-80-8,Benzylethyldimethylammonium chloride,"N-benzyl-N,N-dimethylethanaminium chloride",[Cl-].CC[N+](C)(C)Cc1ccccc1,[Cl-].CC[N+](C)(C)Cc1ccccc1,"InChI=1/C11H18N.ClH/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h5-9H,4,10H2,1-3H3;1H/q+1;/p-1",C11H18N.Cl,,,,,,IUHDTQIYNQQIBP-UHFFFAOYSA-M,,,,,,,,,,,
100.028.751,231-625-9,7659-47-4,4-chloro-3-methylbutyronitrile,4-chloro-3-methylbutanenitrile,CC(CCl)CC#N,CC(CCl)CC#N,"InChI=1/C5H8ClN/c1-5(4-6)2-3-7/h5H,2,4H2,1H3",C5H8ClN,,,,,,XRNJHVNFTYNNAO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.754,231-629-0,7660-41-5,Benzylbis(2-hydroxyethyl)oleylammonium chloride,"N-benzyl-N,N-bis(2-hydroxyethyl)octadec-9-en-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](CCO)(CCO)Cc1ccccc1,[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](CCO)(CCO)Cc1ccccc1,"InChI=1/C29H52NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-26-31,25-27-32)28-29-21-18-17-19-22-29;/h9-10,17-19,21-22,31-32H,2-8,11-16,20,23-28H2,1H3;1H/q+1;/p-1",C29H52NO2.Cl,,,,,,KNEOMQOZDMYOSK-KVVVOXFISA-M,,,,,,,,,,,
100.028.755,231-630-6,7661-55-4,5-methylquinoline,5-methylquinoline,Cc1cccc2ncccc12,Cc1cccc2ncccc12,"InChI=1/C10H9N/c1-8-4-2-6-10-9(8)5-3-7-11-10/h2-7H,1H3",C10H9N,,,,,,LMYVCXSKCQSIEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.756,231-631-1,7662-51-3,L-tyrosinohydrazide,2-amino-3-(4-hydroxyphenyl)propanehydrazide (non-preferred name),NNC(=O)C(N)Cc1ccc(O)cc1,NNC(=O)C(N)Cc1ccc(O)cc1,"InChI=1/C9H13N3O2/c10-8(9(14)12-11)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10-11H2,(H,12,14)",C9H13N3O2,,,,,,MWIXENPCUPDSOS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.757,231-632-7,7663-77-6,N-(3-aminopropyl)pyrrolidin-2-one,1-(3-aminopropyl)pyrrolidin-2-one,NCCCN1CCCC1=O,NCCCN1CCCC1=O,"InChI=1/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2",C7H14N2O,,,,,,HJORCZCMNWLHMB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.762,231-637-4,7664-80-4,Octyl mercaptoacetate,octyl sulfanylacetate,CCCCCCCCOC(=O)CS,CCCCCCCCOC(=O)CS,"InChI=1/C10H20O2S/c1-2-3-4-5-6-7-8-12-10(11)9-13/h13H,2-9H2,1H3",C10H20O2S,,,,,,MADOXCFISYCULS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.769,231-645-8,7669-64-9,1-[N-[(phenylmethoxy)carbonyl]-L-phenylalanyl]-L-proline,N-[(benzyloxy)carbonyl]phenylalanyl-L-proline,OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3,OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3,"InChI=1/C22H24N2O5/c25-20(24-13-7-12-19(24)21(26)27)18(14-16-8-3-1-4-9-16)23-22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,28)(H,26,27)",C22H24N2O5,,,,,,SLQMUASKUOLVIO-OALUTQOASA-N,,,,,,,,,,,
100.028.775,231-652-6,7675-50-5,"N-[(2-nitrophenyl)thio]-L-leucine, compound with dicyclohexylamine (1:1)",N-[(2-nitrophenyl)sulfanyl]-L-leucine - N-cyclohexylcyclohexanamine (1:1),CC(C)C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C12H16N2O4S.C12H23N/c1-8(2)7-9(12(15)16)13-19-11-6-4-3-5-10(11)14(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-6,8-9,13H,7H2,1-2H3,(H,15,16);11-13H,1-10H2",C12H23N.C12H16N2O4S,,,,,,LCMFKMWXEWZXQH-FVGYRXGTSA-N,,,,,,,,,,,
100.014.680,216-148-6,1510-21-0,Cholest-5-en-3ß-yl hydrogen succinate,4-(cholest-5-en-3-yloxy)-4-oxobutanoic acid,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(=O)O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(=O)O,"InChI=1/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)",C31H50O4,,,,,,WLNARFZDISHUGS-MIXBDBMTSA-N,,,,,,,,,,,
100.014.682,216-150-7,1512-30-7,Difluoromethanesulphonyl chloride,difluoromethanesulfonyl chloride,FC(F)S(=O)(=O)Cl,FC(F)S(=O)(=O)Cl,"InChI=1/CHClF2O2S/c2-7(5,6)1(3)4/h1H",CHClF2O2S,,,,,,JYQLKKNUGGVARY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.694,216-163-8,1516-17-2,"Hexa-2,4-dienyl acetate","hexa-2,4-dien-1-yl acetate",CC=CC=CCOC(C)=O,CC=CC=CCOC(C)=O,"InChI=1/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3",C8H12O2,,,,,,PXVKYPFROMBALG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.938,225-232-1,4730-22-7,6-methylheptan-2-ol,6-methylheptan-2-ol,CC(C)CCCC(C)O,CC(C)CCCC(C)O,"InChI=1/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3",C8H18O,,,,,,FCOUHTHQYOMLJT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.939,225-233-7,4731-34-4,Di-o-tolyl ether,"1,1'-oxybis(2-methylbenzene)",Cc1ccccc1Oc2ccccc2C,Cc1ccccc1Oc2ccccc2C,"InChI=1/C14H14O/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10H,1-2H3",C14H14O,,,,,,CYXMOAZSOPXQOD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.941,225-235-8,4731-65-1,Tris(o-methoxyphenyl)phosphine,tris(2-methoxyphenyl)phosphine,COc1ccccc1P(c2ccccc2OC)c3ccccc3OC,COc1ccccc1P(c2ccccc2OC)c3ccccc3OC,"InChI=1/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3",C21H21O3P,,,,,,IIOSDXGZLBPOHD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.944,225-238-4,4732-13-2,5-isopropyl-2-methylphenetole,2-ethoxy-4-isopropyl-1-methylbenzene,CCOc1cc(ccc1C)C(C)C,CCOc1cc(ccc1C)C(C)C,"InChI=1/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h6-9H,5H2,1-4H3",C12H18O,,,,,,DOTAGKFIHPPPTK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.945,225-240-5,4733-39-5,"2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline","2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline",Cc1cc(c2ccccc2)c3ccc4c(cc(C)nc4c3n1)c5ccccc5,Cc1cc(c2ccccc2)c3ccc4c(cc(C)nc4c3n1)c5ccccc5,"InChI=1/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3",C26H20N2,,,,,,STTGYIUESPWXOW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.946,225-241-0,4733-50-0,"3,6-dihydroxyphthalonitrile","3,6-dihydroxyphthalonitrile",Oc1ccc(O)c(C#N)c1C#N,Oc1ccc(O)c(C#N)c1C#N,"InChI=1/C8H4N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2,11-12H",C8H4N2O2,,,,,,MPAIWVOBMLSHQA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.948,225-243-1,4734-49-0,Piperidine-1-valeronitrile,5-piperidin-1-ylpentanenitrile,N#CCCCCN1CCCCC1,N#CCCCCN1CCCCC1,"InChI=1/C10H18N2/c11-7-3-1-4-8-12-9-5-2-6-10-12/h1-6,8-10H2",C10H18N2,,,,,,FDSRLFIEZWQEEU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.951,225-246-8,4737-18-2,Propenyl isocyanate,1-isocyanatoprop-1-ene,CC=C\\N=C=O,CC=C\N=C=O,"InChI=1/C4H5NO/c1-2-3-5-4-6/h2-3H,1H3",C4H5NO,,,,,,QWBNZGHJDZEJBE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.952,225-247-3,4740-77-6,"2,6-dimethyl-1,3-dioxan-4-ol","2,6-dimethyl-1,3-dioxan-4-ol",CC1CC(O)OC(C)O1,CC1CC(O)OC(C)O1,"InChI=1/C6H12O3/c1-4-3-6(7)9-5(2)8-4/h4-7H,3H2,1-2H3",C6H12O3,,,,,,XOXZKNZCICKTLL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.954,225-249-4,4740-79-8,"2-benzyl-1,3-dioxan-5-ol","2-benzyl-1,3-dioxan-5-ol",OC1COC(Cc2ccccc2)OC1,OC1COC(Cc2ccccc2)OC1,"InChI=1/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2",C11H14O3,,,,,,SCBQUBIXYNMXER-UHFFFAOYSA-N,,,,,,,,,,,
100.022.958,225-254-1,4741-99-5,"N,N'-bis(2-aminoethyl)propane-1,3-diamine","N,N'-bis(2-aminoethyl)propane-1,3-diamine",NCCNCCCNCCN,NCCNCCCNCCN,"InChI=1/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2",C7H20N4,,,,,,UWMHHZFHBCYGCV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.960,225-256-2,4743-82-2,4-oxopent-2-en-2-oic acid,4-oxopent-2-enoic acid,CC(=O)C=CC(=O)O,CC(=O)C=CC(=O)O,"InChI=1/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)",C5H6O3,,,,,,XGTKSWVCNVUVHG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.963,225-259-9,4744-47-2,"Tetrahydro-3,3,5,5-tetrakis(hydroxymethyl)pyran-4-ol","3,3,5,5-tetrakis(hydroxymethyl)tetrahydro-2H-pyran-4-ol",OCC1(CO)COCC(CO)(CO)C1O,OCC1(CO)COCC(CO)(CO)C1O,"InChI=1/C9H18O6/c10-1-8(2-11)5-15-6-9(3-12,4-13)7(8)14/h7,10-14H,1-6H2",C9H18O6,,,,,,LCOOMOSZMKFHOC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.964,225-260-4,4744-50-7,"Furo[3,4-b]pyrazine-5,7-dione","furo[3,4-b]pyrazine-5,7-dione",O=C1OC(=O)c2nccnc12,O=C1OC(=O)c2nccnc12,InChI=1/C6H2N2O3/c9-5-3-4(6(10)11-5)8-2-1-7-3/h1-2H,C6H2N2O3,,,,,,AWJWCTOOIBYHON-UHFFFAOYSA-N,,,,,,,,,,,
100.022.966,225-263-0,3/07/4747,1-methoxyhexane,1-methoxyhexane,CCCCCCOC,CCCCCCOC,"InChI=1/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3",C7H16O,,,,,,ICBJCVRQDSQPGI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.593,224-850-9,4521-33-9,5-nitrothiophene-2-carbaldehyde,5-nitrothiophene-2-carbaldehyde,[O-][N+](=O)c1ccc(C=O)s1,[O-][N+](=O)c1ccc(C=O)s1,InChI=1/C5H3NO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,C5H3NO3S,,,,,,CHTSWZNXEKOLPM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.595,224-853-5,4521-94-2,Octaethyl trisilicate,triethyl pentaethoxydisiloxanyl orthosilicate (non-preferred name),CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,"InChI=1/C16H40O10Si3/c1-9-17-27(18-10-2,19-11-3)25-29(23-15-7,24-16-8)26-28(20-12-4,21-13-5)22-14-6/h9-16H2,1-8H3",C16H40O10Si3,,,,,,SCCMALBMEASKCM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.598,224-856-1,4524-93-0,Cyclopentanecarbonyl chloride,cyclopentanecarbonyl chloride,ClC(=O)C1CCCC1,ClC(=O)C1CCCC1,"InChI=1/C6H9ClO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2",C6H9ClO,,,,,,WEPUZBYKXNKSDH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.600,224-858-2,4525-27-3,Methyl 3-(acetoxy)isocrotonate,methyl 3-acetoxybut-2-enoate,COC(=O)\\C=C(/C)\\OC(=O)C,COC(=O)\C=C(/C)\OC(=O)C,"InChI=1/C7H10O4/c1-5(11-6(2)8)4-7(9)10-3/h4H,1-3H3",C7H10O4,,,,,,DEJKBQLJBNGQIU-SNAWJCMRSA-N,,,,,,,,,,,
100.022.601,224-859-8,4525-33-1,Dimethyl dicarbonate,dimethyl dicarbonate,COC(=O)OC(=O)OC,COC(=O)OC(=O)OC,InChI=1/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3,C4H6O5,,,,,,GZDFHIJNHHMENY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.607,224-866-6,4531-45-7,"1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-1,1-dimethylhydrazinium chloride","1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-1,1-dimethyldiazanium chloride",[Cl-].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O,[Cl-].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O,"InChI=1/C18H24ClN6O2.ClH/c1-4-23(11-12-25(2,3)20)15-7-5-14(6-8-15)21-22-18-10-9-16(24(26)27)13-17(18)19;/h5-10,13H,4,11-12,20H2,1-3H3;1H/q+1;/p-1",C18H24ClN6O2.Cl,,,,,,YEECVOLPHCRYOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.022.608,224-867-1,4531-49-1,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-methoxyphenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1OC)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3OC)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1OC)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3OC)c(Cl)c4,"InChI=1/C34H30Cl2N6O6/c1-19(43)31(33(45)37-27-9-5-7-11-29(27)47-3)41-39-25-15-13-21(17-23(25)35)22-14-16-26(24(36)18-22)40-42-32(20(2)44)34(46)38-28-10-6-8-12-30(28)48-4/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)",C34H30Cl2N6O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14804,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.608,VTGOEJALMFECDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.622,224-882-3,4535-90-4,2-chloroethyl(methyl)ammonium chloride,2-chloro-N-methylethanaminium chloride,[Cl-].C[NH2+]CCCl,[Cl-].C[NH2+]CCCl,"InChI=1/C3H8ClN.ClH/c1-5-3-2-4;/h5H,2-3H2,1H3;1H",C3H8ClN.ClH,,,,,,FGSHJLJPYBUBHO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.623,224-883-9,4536-23-6,2-methylhexanoic acid,2-methylhexanoic acid,CCCCC(C)C(=O)O,CCCCC(C)C(=O)O,"InChI=1/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",C7H14O2,,,,,,CVKMFSAVYPAZTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.629,218-292-5,6/05/2108,(E)-hept-3-en-1-ol,hept-3-en-1-ol,CCC\\C=C\\CCO,CCC\C=C\CCO,"InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3",C7H14O,,,,,,SDZQUCJFTUULJX-SNAWJCMRSA-N,,,,,,,,,,,
100.016.632,218-295-1,2109-23-1,"2-isopropyl-2-methylpropane-1,3-diol","2-isopropyl-2-methylpropane-1,3-diol",CC(C)C(C)(CO)CO,CC(C)C(C)(CO)CO,"InChI=1/C7H16O2/c1-6(2)7(3,4-8)5-9/h6,8-9H,4-5H2,1-3H3",C7H16O2,,,,,,NJHQOQAEEYIWOB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.636,218-299-3,2109-98-0,"2,3-dimethylbutyraldehyde","2,3-dimethylbutanal",CC(C)C(C)C=O,CC(C)C(C)C=O,"InChI=1/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3",C6H12O,,,,,,AKUUEDVRXOZTBF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.638,218-301-2,2110-78-3,Methyl 2-hydroxy-2-methylpropionate,methyl 2-hydroxy-2-methylpropanoate,COC(=O)C(C)(C)O,COC(=O)C(C)(C)O,"InChI=1/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3",C5H10O3,,,,,,XYVQFUJDGOBPQI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.942,217-535-2,1879-77-2,Doxibetasol,"9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C,"InChI=1/C22H29FO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3",C22H29FO4,,,,,,IKGBPSZWCRRUQS-DTAAKRQUSA-N,,,,,,,,,,,
100.015.943,217-536-8,1881-07-8,"6a-fluoro-17,21-dihydroxy-16a-methylpregna-4,9(11)-diene-3,20-dione 21-acetate","6-fluoro-17-hydroxy-16-methyl-3,20-dioxopregna-4,9(11)-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H31FO5/c1-13-9-18-16-11-20(25)19-10-15(27)5-7-22(19,3)17(16)6-8-23(18,4)24(13,29)21(28)12-30-14(2)26/h6,10,13,16,18,20,29H,5,7-9,11-12H2,1-4H3",C24H31FO5,,,,,,YOLRNVJDBSRWRR-MQANLOPGSA-N,,,,,,,,,,,
100.021.329,223-461-1,3905-64-4,"2,6-di-tert-butylnaphthalene","2,6-di-tert-butylnaphthalene",CC(C)(C)c1ccc2cc(ccc2c1)C(C)(C)C,CC(C)(C)c1ccc2cc(ccc2c1)C(C)(C)C,"InChI=1/C18H24/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7-12H,1-6H3",C18H24,,,,,,TZGXZNWUOXLMFL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.330,223-462-7,3905-96-2,"2,2',3,3',5,5',6,6'-octafluoro-4,4'-dinitro-1,1'-biphenyl","2,2',3,3',5,5',6,6'-octafluoro-4,4'-dinitrobiphenyl",[O-][N+](=O)c1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(c(F)c2F)[N+](=O)[O-],[O-][N+](=O)c1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(c(F)c2F)[N+](=O)[O-],InChI=1/C12F8N2O4/c13-3-1(4(14)8(18)11(7(3)17)21(23)24)2-5(15)9(19)12(22(25)26)10(20)6(2)16,C12F8N2O4,,,,,,FHSUVJURYZPEIO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.333,223-465-3,3908-48-3,"2,5-diamino-3,6-dichloro-p-benzoquinone","2,5-diamino-3,6-dichloro-1,4-benzoquinone",NC1=C(Cl)C(=O)C(=C(Cl)C1=O)N,NC1=C(Cl)C(=O)C(=C(Cl)C1=O)N,InChI=1/C6H4Cl2N2O2/c7-1-3(9)6(12)2(8)4(10)5(1)11/h9-10H2,C6H4Cl2N2O2,,,,,,QLHPOTDBWHTTBM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.346,223-480-5,3916-18-5,"Threo-ß,3-dihydroxy-DL-tyrosine","beta,3-dihydroxy-D-tyrosine",N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(=O)O,N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(=O)O,"InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)",C9H11NO5,,,,,,QXWYKJLNLSIPIN-JGVFFNPUSA-N,,,,,,,,,,,
100.021.347,223-481-0,3916-40-3,"N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]glycine","N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycine",OC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O,OC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O,"InChI=1/C12H10N2O5/c15-9(13-5-10(16)17)6-14-11(18)7-3-1-2-4-8(7)12(14)19/h1-4H,5-6H2,(H,13,15)(H,16,17)",C12H10N2O5,,,,,,GGZCEFKSVHSZHT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.223,220-044-6,2613-89-0,Phenylmalonic acid,phenylmalonic acid,OC(=O)C(C(=O)O)c1ccccc1,OC(=O)C(C(=O)O)c1ccccc1,"InChI=1/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)",C9H8O4,,,,,,WWYDYZMNFQIYPT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.225,220-046-7,2616-72-0,N-(4-chloro-2-methylphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide,3-[(4-chloro-2-methylphenyl)carbamoyl]-2-naphthyl dihydrogen phosphate,Cc1cc(Cl)ccc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,Cc1cc(Cl)ccc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,"InChI=1/C18H15ClNO5P/c1-11-8-14(19)6-7-16(11)20-18(21)15-9-12-4-2-3-5-13(12)10-17(15)25-26(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)",C18H15ClNO5P,,,,,,SHTFMUPUBYXPCD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.226,220-047-2,2617-47-2,(hydroxymethyl)phosphonic acid,(hydroxymethyl)phosphonic acid,OCP(=O)(O)O,OCP(=O)(O)O,"InChI=1/CH5O4P/c2-1-6(3,4)5/h2H,1H2,(H2,3,4,5)",CH5O4P,,,,,,GTTBQSNGUYHPNK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.235,220-057-7,2620-62-4,"N,N-dimethyladenosine","N,N-dimethyladenosine",CN(C)c1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,CN(C)c1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,"InChI=1/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3",C12H17N5O4,,,,,,WVGPGNPCZPYCLK-WOUKDFQISA-N,,,,,,,,,,,
100.018.236,220-058-2,2620-63-5,2-acetamidoacetamide,N~2~-acetylglycinamide,CC(=O)NCC(=O)N,CC(=O)NCC(=O)N,"InChI=1/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)",C4H8N2O2,,,,,,WQELDIQOHGAHEM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.237,220-059-8,2620-88-4,"2,2'-dithiobis[N-butylbenzamide]","2,2'-disulfanediylbis(N-butylbenzamide)",CCCCNC(=O)c1ccccc1SSc2ccccc2C(=O)NCCCC,CCCCNC(=O)c1ccccc1SSc2ccccc2C(=O)NCCCC,"InChI=1/C22H28N2O2S2/c1-3-5-15-23-21(25)17-11-7-9-13-19(17)27-28-20-14-10-8-12-18(20)22(26)24-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H,23,25)(H,24,26)",C22H28N2O2S2,,,,,,GXPQTGLOKRVDNN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.239,220-061-9,2621-46-7,4-chlorocumene,1-chloro-4-isopropylbenzene,CC(C)c1ccc(Cl)cc1,CC(C)c1ccc(Cl)cc1,"InChI=1/C9H11Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3",C9H11Cl,,,,,,FHBSIIZALGOVLM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.242,220-065-0,2621-79-6,Ethyl methyl(phenyl)carbamate,ethyl methyl(phenyl)carbamate,CCOC(=O)N(C)c1ccccc1,CCOC(=O)N(C)c1ccccc1,"InChI=1/C10H13NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3",C10H13NO2,,,,,,QHGZFCAIXRVHID-UHFFFAOYSA-N,,,,,,,,,,,
100.018.243,220-066-6,2621-99-0,N-[4-(aminosulphonyl)phenyl]acrylamide,N-(4-sulfamoylphenyl)acrylamide,NS(=O)(=O)c1ccc(NC(=O)C=C)cc1,NS(=O)(=O)c1ccc(NC(=O)C=C)cc1,"InChI=1/C9H10N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h2-6H,1H2,(H,11,12)(H2,10,13,14)",C9H10N2O3S,,,,,,RINSWHLCRAFXEY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.750,221-725-0,3212-60-0,Cyclopent-2-en-1-ol,cyclopent-2-en-1-ol,OC1CCC=C1,OC1CCC=C1,"InChI=1/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2",C5H8O,,,,,,PSBABBDEUFNFKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.754,221-729-2,3215-30-3,"N-o-tolylformamide, potassium salt",-,[K+].Cc1ccccc1NC=O,[K+].Cc1ccccc1NC=O,"InChI=1/C8H9NO.K/c1-7-4-2-3-5-8(7)9-6-10;/h2-6H,1H3,(H,9,10);/q;+1",C8H9NO.K,,,,,,DXPIKYJUSPXSDR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.765,221-741-8,8/02/3218,Cyclohexanemethylamine,1-cyclohexylmethanamine,NCC1CCCCC1,NCC1CCCCC1,"InChI=1/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2",C7H15N,,,,,,AVKNGPAMCBSNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.777,231-654-7,7675-57-2,"N-[(2-nitrophenyl)thio]-L-valine, compound with dicyclohexylamine (1:1)",N-[(2-nitrophenyl)sulfanyl]-D-valine - N-cyclohexylcyclohexanamine (1:1),CC(C)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C12H23N.C11H14N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)10(11(14)15)12-18-9-6-4-3-5-8(9)13(16)17/h11-13H,1-10H2;3-7,10,12H,1-2H3,(H,14,15)",C12H23N.C11H14N2O4S,,,,,,PIXHCLWIWCGYKF-CICJTZRQSA-N,,,,,,,,,,,
100.028.783,231-661-5,7681-14-3,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)","11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate",CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3",C27H38O6,,,,,,HUMXXHTVHHLNRO-KAJVQRHHSA-N,,,,,,,,,,,
100.028.785,231-663-6,7681-28-9,"Galacturonic acid, compound with (9S)-6'-methoxycinchonan-9-ol",6'-methoxycinchonan-9-ol - D-galacturonic acid (1:1),COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O,"InChI=1/C20H24N2O2.C6H10O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-5,8-11H,(H,12,13)",C20H24N2O2.xC6H10O7,,,,,,KUTGSSTVCUKONV-VAFYLWSTSA-N,,,,,,,,,,,
100.028.790,231-668-3,7681-52-9,Sodium hypochlorite,sodium hypochlorite,[Na+].[O-]Cl,[Na+].[O-]Cl,InChI=1/ClO.Na/c1-2;/q-1;+1,ClHO.Na,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15516,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.790,SUKJFIGYRHOWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.792,231-670-4,7681-54-1,Sodium 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate,sodium [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate,[Na+].COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3,[Na+].COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c3ccc(Cl)cc3,"InChI=1/C19H16ClNO4.Na/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;/h3-9H,10H2,1-2H3,(H,22,23);/q;+1/p-1",C19H16ClNO4.Na,,,,,,JMHRGKDWGWORNU-UHFFFAOYSA-M,,,,,,,,,,,
100.028.793,231-672-5,7681-55-2,Sodium iodate,sodium iodate,[Na+].[O-]I(=O)=O,[Na+].[O-]I(=O)=O,"InChI=1/HIO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",HIO3.Na,,,,,,WTCBONOLBHEDIL-UHFFFAOYSA-M,,,,,,,,,,,
100.028.794,231-673-0,7681-57-4,Disodium disulphite,disodium disulphite,[Na+].[Na+].[O-]S(=O)[O-].[O-]S(=O)[O-],[Na+].[Na+].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/2Na.2H2O3S/c;;2*1-4(2)3/h;;2*(H2,1,2,3)/q2*+1;;/p-4",H2O5S2.2Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14958,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.794,YHFXJKYHUWPWSJ-UHFFFAOYSA-J,,,,,,,,,,,
100.013.335,214-668-8,1184-58-3,Dimethylaluminium chloride,dimethylaluminum(1+) chloride,[Cl-].C[Al+]C,[Cl-].C[Al+]C,InChI=1/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1/rC2H6Al.ClH/c1-3-2;/h1-2H3;1H/q+1;/p-1,C2H6AlCl,,,,,,JGHYBJVUQGTEEB-UHFFFAOYSA-M,,,,,,,,,,,
100.013.337,214-670-9,1184-63-0,Europium(3+) acetate,europium(3+) triacetate,[Eu+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Eu+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Eu/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Eu,,,,,,LNYNHRRKSYMFHF-UHFFFAOYSA-K,,,,,,,,,,,
100.013.345,214-679-8,1185-09-7,"1,1,2,2-tetrachloroethanesulphenyl chloride","1,1,2,2-tetrachloroethanesulfenyl chloride",ClSC(Cl)(Cl)C(Cl)Cl,ClSC(Cl)(Cl)C(Cl)Cl,"InChI=1/C2HCl5S/c3-1(4)2(5,6)8-7/h1H",C2HCl5S,,,,,,LCVOCDOSGJHZFH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.352,214-687-1,1185-59-7,Tetraethylammonium acetate,"N,N,N-triethylethanaminium acetate",CC[N+](CC)(CC)CC.CC(=O)[O-],CC[N+](CC)(CC)CC.CC(=O)[O-],"InChI=1/C8H20N.C2H4O2/c1-5-9(6-2,7-3)8-4;1-2(3)4/h5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C8H20N.C2H3O2,,,,,,GTCDARUMAMVCRO-UHFFFAOYSA-M,,,,,,,,,,,
100.013.359,214-695-5,1186-70-5,"1-methoxy-N,N,N',N'-tetramethylmethylenediamine","1-methoxy-N,N,N',N'-tetramethylmethanediamine",COC(N(C)C)N(C)C,COC(N(C)C)N(C)C,"InChI=1/C6H16N2O/c1-7(2)6(9-5)8(3)4/h6H,1-5H3",C6H16N2O,,,,,,NCIMAYPZWJQYGN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.360,214-696-0,1187-03-7,Tetraethylurea,"1,1,3,3-tetraethylurea",CCN(CC)C(=O)N(CC)CC,CCN(CC)C(=O)N(CC)CC,"InChI=1/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3",C9H20N2O,,,,,,UWHSPZZUAYSGTB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.363,214-699-7,1187-58-2,N-methylpropionamide,N-methylpropanamide,CCC(=O)NC,CCC(=O)NC,"InChI=1/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",C4H9NO,,,,,,QJQAMHYHNCADNR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.364,214-700-0,1187-59-3,N-methylacrylamide,N-methylacrylamide,CNC(=O)C=C,CNC(=O)C=C,"InChI=1/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)",C4H7NO,,,,,,YPHQUSNPXDGUHL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.368,214-704-2,1188-02-9,2-methylheptanoic acid,2-methylheptanoic acid,CCCCCC(C)C(=O)O,CCCCCC(C)C(=O)O,"InChI=1/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",C8H16O2,,,,,,NKBWMBRPILTCRD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.969,225-266-7,4747-21-1,N-methylisopropylamine,N-methylpropan-2-amine,CNC(C)C,CNC(C)C,"InChI=1/C4H11N/c1-4(2)5-3/h4-5H,1-3H3",C4H11N,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10466,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.969,XHFGWHUWQXTGAT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.971,225-268-8,4748-78-1,4-ethylbenzaldehyde,4-ethylbenzaldehyde,CCc1ccc(C=O)cc1,CCc1ccc(C=O)cc1,"InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3",C9H10O,,,,,,QNGNSVIICDLXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.875,214-162-7,1103-59-9,"2-[1,1'-biphenyl]-4-yl-5-(2-naphthyl)-1,3,4-oxadiazole","2-biphenyl-4-yl-5-(2-naphthyl)-1,3,4-oxadiazole",o1c(nnc1c2ccc3ccccc3c2)c4ccc(cc4)c5ccccc5,o1c(nnc1c2ccc3ccccc3c2)c4ccc(cc4)c5ccccc5,InChI=1/C24H16N2O/c1-2-6-17(7-3-1)19-10-13-20(14-11-19)23-25-26-24(27-23)22-15-12-18-8-4-5-9-21(18)16-22/h1-16H,C24H16N2O,,,,,,AASNQZPKNMLTHY-UHFFFAOYSA-N,,,,,,,,,,,
100.012.878,214-165-3,1104-36-5,N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-3-phenyl-L-alanine,N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-phenylalanine,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O,"InChI=1/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)",C21H22N2O4S,,,,,,GPIOGTIFRDHWSB-SFHVURJKSA-N,,,,,,,,,,,
100.012.884,214-172-1,1107-99-9,Prednisolone 21-pivalate,"11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate",CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3",C26H36O6,,,,,,PHEOVVDXTQVHAZ-XDANTLIUSA-N,,,,,,,,,,,
100.012.886,214-174-2,1109-28-0,O-a-D-glucopyranosyl-(1<U+2192>4)-O-a-D-glucopyranosyl-(1<U+2192>4)-O-a-D-glucopyranose,hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranose,OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O,OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O,"InChI=1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2",C18H32O16,,,,,,FYGDTMLNYKFZSV-UHFFFAOYSA-N,,,,,,,,,,,
100.012.887,214-175-8,1110-40-3,Cortivazol,"2-(1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl)-2-oxoethyl acetate",C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=Cc5c(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)cnn5c6ccccc6,C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=Cc5c(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)cnn5c6ccccc6,"InChI=1/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3",C32H38N2O5,,,,,,RKHQGWMMUURILY-UHRZLXHJSA-N,,,,,,,,,,,
100.012.890,214-178-4,1111-39-3,Acetyldigitoxin,"3-{[3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,"InChI=1/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3",C43H66O14,,,,,,HPMZBILYSWLILX-UMDUKNJSSA-N,,,,,,,,,,,
100.012.894,214-183-1,1111-67-7,Copper thiocyanate,copper(1+) thiocyanate,[Cu+].[S-]C#N,[Cu+].[S-]C#N,InChI=1/CHNS.Cu/c2-1-3;/h3H;/q;+1/p-1,CHNS.Cu,,,,,,PDZKZMQQDCHTNF-UHFFFAOYSA-M,,,,,,,,,,,
100.012.896,214-185-2,1111-78-0,Ammonium carbamate,ammonium carbamate,[NH4+].NC(=O)[O-],[NH4+].NC(=O)[O-],"InChI=1/CH3NO2.H3N/c2-1(3)4;/h2H2,(H,3,4);1H3",CH3NO2.H3N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11611,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.896,BVCZEBOGSOYJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.911,214-201-8,1113-21-9,"(E,E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol","3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol",CC(=CCC\\C(=C\\CC\\C(=C\\CCC(C)(O)C=C)\\C)\\C)C,CC(=CCC\C(=C\CC\C(=C\CCC(C)(O)C=C)\C)\C)C,"InChI=1/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3",C20H34O,,,,,,IQDXAJNQKSIPGB-HQSZAHFGSA-N,,,,,,,,,,,
100.012.916,214-207-0,1113-68-4,N-acetyl-N-methylacetamide,N-acetyl-N-methylacetamide,CN(C(=O)C)C(=O)C,CN(C(=O)C)C(=O)C,InChI=1/C5H9NO2/c1-4(7)6(3)5(2)8/h1-3H3,C5H9NO2,,,,,,ZNQFZPCFVNOXJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.917,214-208-6,1113-74-2,"2,4-dimethylpentan-3-one oxime","2,4-dimethylpentan-3-one oxime",CC(C)C(=NO)C(C)C,CC(C)C(=NO)C(C)C,"InChI=1/C7H15NO/c1-5(2)7(8-9)6(3)4/h5-6,9H,1-4H3",C7H15NO,,,,,,PULCKIYKBGOTTG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.145,229-859-1,6/09/6790,"3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diol","3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2",C24H50O13,,,,,,WRZXKWFJEFFURH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.945,217-538-9,1882-26-4,Pyricarbate,"pyridine-2,6-diylbis(methylene) bis(methylcarbamate)",CNC(=O)OCc1cccc(COC(=O)NC)n1,CNC(=O)OCc1cccc(COC(=O)NC)n1,"InChI=1/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)",C11H15N3O4,,,,,,YEKQSSHBERGOJK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.949,217-543-6,1883-32-5,ß-phenylphenethyl alcohol,"2,2-diphenylethanol",OCC(c1ccccc1)c2ccccc2,OCC(c1ccccc1)c2ccccc2,"InChI=1/C14H14O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2",C14H14O,,,,,,NYLOEXLAXYHOHH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.956,217-550-4,1885-35-4,"3,4,5-trimethoxybenzonitrile","3,4,5-trimethoxybenzonitrile",COc1cc(cc(OC)c1OC)C#N,COc1cc(cc(OC)c1OC)C#N,"InChI=1/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3",C10H11NO3,,,,,,OSBQUSPVORCDCU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.973,217-569-8,1889-96-9,"2,3-dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one","2,3-dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one",CC1(C)C(=C(O)C(=O)C1(C)C)O,CC1(C)C(=C(O)C(=O)C1(C)C)O,"InChI=1/C9H14O3/c1-8(2)6(11)5(10)7(12)9(8,3)4/h10-11H,1-4H3",C9H14O3,,,,,,XBDZRROTFKRVES-UHFFFAOYSA-N,,,,,,,,,,,
100.015.976,217-572-4,1891-95-8,"3,5-dichloro-4-hydroxybenzonitrile","3,5-dichloro-4-hydroxybenzonitrile",Oc1c(Cl)cc(cc1Cl)C#N,Oc1c(Cl)cc(cc1Cl)C#N,"InChI=1/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",C7H3Cl2NO,,,,,,YRSSHOVRSMQULE-UHFFFAOYSA-N,Negative,,,,,,EQ304251|EQ304252|EQ304253|EQ304254|EQ304255|EQ304256,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,185.9519:149.9752|185.9519:149.9751|185.952:149.9752:121.9803|185.952:149.9751:121.9804|185.9519:149.9751:121.9804|185.9519:149.9752:121.9804,Eawag
100.015.991,217-589-7,1897-52-5,"2,6-difluorobenzonitrile","2,6-difluorobenzonitrile",Fc1cccc(F)c1C#N,Fc1cccc(F)c1C#N,InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,C7H3F2N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12707,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.991,BNBRIFIJRKJGEI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.179,223-296-5,3811-73-2,"Pyridine-2-thiol 1-oxide, sodium salt",-,[Na+].[O-][n+]1ccccc1S,[Na+].[O-][n+]1ccccc1S,"InChI=1/C5H5NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+1",C5H5NOS.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11645,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.179,WNGMMIYXPIAYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.185,223-302-6,3814-34-4,3-(bromomethyl)pentane,3-(bromomethyl)pentane,CCC(CC)CBr,CCC(CC)CBr,"InChI=1/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3",C6H13Br,,,,,,KKGUMGWNFARLSL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.192,223-309-4,3818-64-2,"7-methoxy-2,3-dimethyl-8-(morpholinomethyl)-4-benzopyrone","7-methoxy-2,3-dimethyl-8-(morpholin-4-ylmethyl)-4H-chromen-4-one",COc1ccc2C(=O)C(=C(C)Oc2c1CN3CCOCC3)C,COc1ccc2C(=O)C(=C(C)Oc2c1CN3CCOCC3)C,"InChI=1/C17H21NO4/c1-11-12(2)22-17-13(16(11)19)4-5-15(20-3)14(17)10-18-6-8-21-9-7-18/h4-5H,6-10H2,1-3H3",C17H21NO4,,,,,,GJTMNUHTYIJXTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.201,223-319-9,3822-99-9,"6-chloro-2-cyclohexyl-2,3-dihydro-1,3-dioxo-1H-isoindole-5-sulphonamide","6-chloro-2-cyclohexyl-1,3-dioxoisoindoline-5-sulfonamide",NS(=O)(=O)c1cc2C(=O)N(C3CCCCC3)C(=O)c2cc1Cl,NS(=O)(=O)c1cc2C(=O)N(C3CCCCC3)C(=O)c2cc1Cl,"InChI=1/C14H15ClN2O4S/c15-11-6-9-10(7-12(11)22(16,20)21)14(19)17(13(9)18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,16,20,21)",C14H15ClN2O4S,,,,,,TXIGQWQDDHQHSS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.202,223-320-4,3825-26-1,Ammonium pentadecafluorooctanoate,ammonium pentadecafluorooctanoate,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3",C8HF15O2.H3N,,,,,,YOALFLHFSFEMLP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.205,223-324-6,3827-17-6,"Disodium 4,4'-bis[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].COc1nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(OC)nc(Oc5ccccc5)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(Oc6ccccc6)n1,[Na+].[Na+].COc1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(OC)nc(Oc5ccccc5)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(Oc6ccccc6)n1,"InChI=1/C34H28N8O10S2.2Na/c1-49-31-37-29(39-33(41-31)51-25-9-5-3-6-10-25)35-23-17-15-21(27(19-23)53(43,44)45)13-14-22-16-18-24(20-28(22)54(46,47)48)36-30-38-32(50-2)42-34(40-30)52-26-11-7-4-8-12-26;;/h3-20H,1-2H3,(H,43,44,45)(H,46,47,48)(H,35,37,39,41)(H,36,38,40,42);;/q;2*+1/p-2",C34H28N8O10S2.2Na,,,,,,QOUSWCXOGQNVHK-QDBORUFSSA-L,,,,,,,,,,,
100.021.206,223-325-1,3829-86-5,"1,10-phenanthroline monohydrochloride monohydrate","1,10-phenanthroline hydrochloride hydrate",O.Cl.c1cnc2c(c1)ccc3cccnc23,O.Cl.c1cnc2c(c1)ccc3cccnc23,InChI=1/C12H8N2.ClH.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-8H;1H;1H2,C12H8N2.ClH,,,,,,NDLHUHRGAIHALB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.210,223-329-3,3840-18-4,2-(2-methylphenoxy)aniline,2-(2-methylphenoxy)aniline,Cc1ccccc1Oc2ccccc2N,Cc1ccccc1Oc2ccccc2N,"InChI=1/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3",C13H13NO,,,,,,JYJPXACGURQSCB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.218,223-338-2,3843-41-2,6-amino-5-[(2-chloro-4-nitrophenyl)azo]-N-methylnaphthalene-1-sulphonamide,6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylnaphthalene-1-sulfonamide,Clc3cc(ccc3N=Nc1c2cccc(c2ccc1N)S(=O)(=O)NC)[N+]([O-])=O,Clc3cc(ccc3N=Nc1c2cccc(c2ccc1N)S(=O)(=O)NC)[N+]([O-])=O,"InChI=1/C17H14ClN5O4S/c1-20-28(26,27)16-4-2-3-12-11(16)6-7-14(19)17(12)22-21-15-8-5-10(23(24)25)9-13(15)18/h2-9,20H,19H2,1H3",C17H14ClN5O4S,,,,,,GPBGNHRBAZSRJF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.767,221-743-9,3218-49-3,"(3,4-dichlorophenyl)acetonitrile","(3,4-dichlorophenyl)acetonitrile",Clc1ccc(CC#N)cc1Cl,Clc1ccc(CC#N)cc1Cl,"InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2",C8H5Cl2N,,,,,,QWZNCAFWRZZJMA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.768,221-744-4,3219-55-4,N-benzylmethacrylamide,N-benzyl-2-methylacrylamide,CC(=C)C(=O)NCc1ccccc1,CC(=C)C(=O)NCc1ccccc1,"InChI=1/C11H13NO/c1-9(2)11(13)12-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,12,13)",C11H13NO,,,,,,CEBFLGHPYLIZSC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.565,217-121-1,1745-89-7,"4,4'-isopropylidenebis[2-allylphenol]","4,4'-propane-2,2-diylbis(2-allylphenol)",CC(C)(c1ccc(O)c(CC=C)c1)c2ccc(O)c(CC=C)c2,CC(C)(c1ccc(O)c(CC=C)c1)c2ccc(O)c(CC=C)c2,"InChI=1/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3",C21H24O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12478,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.565,WOCGGVRGNIEDSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.567,217-123-2,1746-03-8,Vinylphosphonic acid,vinylphosphonic acid,OP(=O)(O)C=C,OP(=O)(O)C=C,"InChI=1/C2H5O3P/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)",C2H5O3P,,,,,,ZTWTYVWXUKTLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.568,217-124-8,1746-11-8,"2,3-dihydro-2-methylbenzofuran","2-methyl-2,3-dihydro-1-benzofuran",CC1Cc2ccccc2O1,CC1Cc2ccccc2O1,"InChI=1/C9H10O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3",C9H10O,,,,,,BWCJVGMZEQDOMY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.570,217-126-9,1746-23-2,p-tert-butylstyrene,1-tert-butyl-4-vinylbenzene,CC(C)(C)c1ccc(C=C)cc1,CC(C)(C)c1ccc(C=C)cc1,"InChI=1/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3",C12H16,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6826,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.570,QEDJMOONZLUIMC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.571,217-127-4,1746-77-6,Isopropyl carbamate,isopropyl carbamate,CC(C)OC(=O)N,CC(C)OC(=O)N,"InChI=1/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6)",C4H9NO2,,,,,,OVPLZYJGTGDFNB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.572,217-129-5,1746-81-2,Monolinuron,3-(4-chlorophenyl)-1-methoxy-1-methylurea,CON(C)C(=O)Nc1ccc(Cl)cc1,CON(C)C(=O)Nc1ccc(Cl)cc1,"InChI=1/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)",C9H11ClN2O2,,,,,,LKJPSUCKSLORMF-UHFFFAOYSA-N,Positive,EQ317301|EQ317302|EQ317303|EQ317304|EQ317305|EQ317306,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,215.0579:126.0103:148.0628|126.0104:148.0629:215.0579|126.0104:148.0629:127.0181|126.0104:127.0181:98.9995|98.9995:126.0103:127.0181|98.9995:127.0181:126.0103,Eawag,,,,,
100.015.577,217-134-2,1749-29-7,(2-pyridylmethyl)lithium,(pyridin-2-ylmethyl)lithium,[Li]Cc1ccccn1,[Li]Cc1ccccn1,"InChI=1/C6H6N.Li/c1-6-4-2-3-5-7-6;/h2-5H,1H2;/rC6H6LiN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2",C6H6N.Li,,,,,,IECQSDZMYBSZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.581,217-138-4,1752-96-1,N-phenylnicotinamide,N-phenylnicotinamide,O=C(Nc1ccccc1)c2cccnc2,O=C(Nc1ccccc1)c2cccnc2,"InChI=1/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)",C12H10N2O,,,,,,NYQXIOZBHWFCBU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.585,217-143-1,1754-55-8,"Ethyl 2,4,6-trimethylbenzoate","ethyl 2,4,6-trimethylbenzoate",CCOC(=O)c1c(C)cc(C)cc1C,CCOC(=O)c1c(C)cc(C)cc1C,"InChI=1/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3",C12H16O2,,,,,,ZXTXIZPSMQCYBN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.586,217-144-7,1754-58-1,"Phenyl N,N'-dimethylphosphorodiamidate","phenyl N,N'-dimethyldiamidophosphate",CNP(=O)(NC)Oc1ccccc1,CNP(=O)(NC)Oc1ccccc1,"InChI=1/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11)",C8H13N2O2P,,,,,,ZKIBFASDNPOJFP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.590,217-148-9,1757-42-2,DL-3-methylcyclopentanone,3-methylcyclopentanone,CC1CCC(=O)C1,CC1CCC(=O)C1,"InChI=1/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3",C6H10O,,,,,,AOKRXIIIYJGNNU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.592,217-151-5,1758-25-4,"2,5-dimethoxyphenylacetic acid","(2,5-dimethoxyphenyl)acetic acid",COc1ccc(OC)c(CC(=O)O)c1,COc1ccc(OC)c(CC(=O)O)c1,"InChI=1/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",C10H12O4,,,,,,BBZDYQUXRFATHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.594,217-153-6,1758-46-9,2-phenoxyethylamine,2-phenoxyethanamine,NCCOc1ccccc1,NCCOc1ccccc1,"InChI=1/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2",C8H11NO,,,,,,IMLAIXAZMVDRGA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.597,217-156-2,1758-68-5,"1,2-diaminoanthraquinone","1,2-diamino-9,10-anthraquinone",Nc1ccc2C(=O)c3ccccc3C(=O)c2c1N,Nc1ccc2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2",C14H10N2O2,,,,,,LRMDXTVKVHKWEK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.601,217-160-4,1759-28-0,4-methyl-5-vinylthiazole,"4-methyl-5-vinyl-1,3-thiazole",Cc1ncsc1C=C,Cc1ncsc1C=C,"InChI=1/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3",C6H7NS,,,,,,QUAMMXIRDIIGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.610,217-170-9,1762-27-2,Diethyldimethylplumbane,diethyl(dimethyl)plumbane,CC[Pb](C)(C)CC,CC[Pb](C)(C)CC,"InChI=1/2C2H5.2CH3.Pb/c2*1-2;;;/h2*1H2,2H3;2*1H3;/rC6H16Pb/c1-5-7(3,4)6-2/h5-6H2,1-4H3",C6H16Pb,,,,,,OLOAJSHVLXNSQV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.611,217-171-4,1762-28-3,Triethylmethylplumbane,triethyl(methyl)plumbane,C[Pb](CC)(CC)CC,C[Pb](CC)(CC)CC,"InChI=1/3C2H5.CH3.Pb/c3*1-2;;/h3*1H2,2H3;1H3;/rC7H18Pb/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3",C7H18Pb,,,,,,KGFRUGHBHNUHOS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.371,214-707-9,1188-33-6,"1,1-diethoxytrimethylamine","1,1-diethoxy-N,N-dimethylmethanamine",CCOC(OCC)N(C)C,CCOC(OCC)N(C)C,"InChI=1/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3",C7H17NO2,,,,,,BWKAYBPLDRWMCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.380,215-818-5,1420-53-7,Codeine sulphate,"3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol sulfate (salt)",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OS(=O)(=O)O,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OS(=O)(=O)O,"InChI=1/C18H21NO3.H2O4S/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;(H2,1,2,3,4)",C18H21NO3.1/2H2O4S,,,,,,REJWPZYIFAQSIK-FFHNEAJVSA-N,,,,,,,,,,,
100.014.384,215-822-7,1421-14-3,Propanidid,propyl {4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl}acetate,CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1,CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1,"InChI=1/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3",C18H27NO5,,,,,,KEJXLQUPYHWCNM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.056,219-861-0,2553-71-1,"4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chlorophenol] S,S-dioxide","4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-chlorophenol)",Oc1c(Cl)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Cl)c(O)c(Br)c4,Oc1c(Cl)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Cl)c(O)c(Br)c4,"InChI=1/C19H10Br2Cl2O5S/c20-12-5-9(7-14(22)17(12)24)19(10-6-13(21)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H",C19H10Br2Cl2O5S,,,,,,MDGFKZKMIQQRPU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.059,219-864-7,2554-75-8,"N,N-dimethyl-5-nitropyridin-2-amine","N,N-dimethyl-5-nitropyridin-2-amine",CN(C)c1ccc(cn1)[N+](=O)[O-],CN(C)c1ccc(cn1)[N+](=O)[O-],"InChI=1/C7H9N3O2/c1-9(2)7-4-3-6(5-8-7)10(11)12/h3-5H,1-2H3",C7H9N3O2,,,,,,UCAOGXRUJFKQAP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.062,219-867-3,2555-49-9,Ethyl phenoxyacetate,ethyl phenoxyacetate,CCOC(=O)COc1ccccc1,CCOC(=O)COc1ccccc1,"InChI=1/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12O3,,,,,,MGZFVSUXQXCEHM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.068,219-874-1,2556-73-2,N-methylcaprolactam,1-methylazepan-2-one,CN1CCCCCC1=O,CN1CCCCCC1=O,"InChI=1/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3",C7H13NO,,,,,,ZWXPDGCFMMFNRW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.069,219-875-7,2557-49-5,Diflorasone,"6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3",C22H28F2O5,,,,,,WXURHACBFYSXBI-XHIJKXOTSA-N,,,,,,,,,,,
100.018.072,219-878-3,2558-30-7,"5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one","5-(2-fluorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one",[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3F)c2c1,[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3F)c2c1,"InChI=1/C15H10FN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",C15H10FN3O3,,,,,,KNGIGRDYBQPXKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.076,219-883-0,2562-37-0,1-nitrocyclohex-1-ene,1-nitrocyclohexene,[O-][N+](=O)C1=CCCCC1,[O-][N+](=O)C1=CCCCC1,"InChI=1/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2",C6H9NO2,,,,,,DJBRXNRKYAWTBL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.077,219-884-6,2562-38-1,Nitrocyclopentane,nitrocyclopentane,[O-][N+](=O)C1CCCC1,[O-][N+](=O)C1CCCC1,"InChI=1/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2",C5H9NO2,,,,,,CJSZWOGCKKDSJG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.079,219-886-7,8/08/2563,"3-methyl-5-(1,1,3,3-tetramethylbutyl)pyrocatechol","3-methyl-5-(1,1,3,3-tetramethylbutyl)benzene-1,2-diol",Cc1cc(cc(O)c1O)C(C)(C)CC(C)(C)C,Cc1cc(cc(O)c1O)C(C)(C)CC(C)(C)C,"InChI=1/C15H24O2/c1-10-7-11(8-12(16)13(10)17)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3",C15H24O2,,,,,,OKBGUIZGNSPYGU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.082,219-889-3,3/07/2565,Diacetoxydiphenylsilane,diphenylsilanediyl diacetate,CC(=O)O[Si](OC(=O)C)(c1ccccc1)c2ccccc2,CC(=O)O[Si](OC(=O)C)(c1ccccc1)c2ccccc2,"InChI=1/C16H16O4Si/c1-13(17)19-21(20-14(2)18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3",C16H16O4Si,,,,,,CNOSLBKTVBFPBB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.089,219-897-7,2565-83-5,"(Z)-1-methoxy-3,7-dimethylocta-2,6-diene","1-methoxy-3,7-dimethylocta-2,6-diene",COC\\C=C(\\C)/CCC=C(C)C,COC\C=C(\C)/CCC=C(C)C,"InChI=1/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3",C11H20O,,,,,,AVJMJMPVWWWELJ-FLIBITNWSA-N,,,,,,,,,,,
100.018.091,219-899-8,2566-86-1,"o-[[[4,5-dihydro-1-[2-(octadecylthio)phenyl]-5-oxo-1H-pyrazol-3-yl]amino]carbonyl]benzenesulphonic acid","2-({1-[2-(octadecylsulfanyl)phenyl]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}carbamoyl)benzenesulfonic acid",CCCCCCCCCCCCCCCCCCSc1ccccc1N2N=C(CC2=O)NC(=O)c3ccccc3S(=O)(=O)O,CCCCCCCCCCCCCCCCCCSc1ccccc1N2N=C(CC2=O)NC(=O)c3ccccc3S(=O)(=O)O,"InChI=1/C34H49N3O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-43-30-24-19-18-23-29(30)37-33(38)27-32(36-37)35-34(39)28-22-17-20-25-31(28)44(40,41)42/h17-20,22-25H,2-16,21,26-27H2,1H3,(H,35,36,39)(H,40,41,42)",C34H49N3O5S2,,,,,,XRURHQQYUBFGFD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.147,229-861-2,6790-58-5,"[3aR-(3aa,5aß,9aa,9bß)]-dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan","3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan",CC1(C)CCCC2(C)C1CCC3(C)OCCC23,CC1(C)CCCC2(C)C1CCC3(C)OCCC23,"InChI=1/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3",C16H28O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11951,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.147,YPZUZOLGGMJZJO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.149,229-863-3,6792-71-8,4-[(4-nitrophenyl)azo]naphthalen-1-amine,4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine,[O-][N+](=O)c3ccc(N=Nc1ccc(N)c2ccccc12)cc3,[O-][N+](=O)c3ccc(N=Nc1ccc(N)c2ccccc12)cc3,"InChI=1/C16H12N4O2/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)20(21)22/h1-10H,17H2",C16H12N4O2,,,,,,YDDXIMLCWVDKRS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.150,229-864-9,6794-94-1,"1,2-diethyldiaziridine","1,2-diethyldiaziridine",CCN1CN1CC,CCN1CN1CC,"InChI=1/C5H12N2/c1-3-6-5-7(6)4-2/h3-5H2,1-2H3",C5H12N2,,,,,,PWDZFUBSTVFGCD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.151,229-865-4,6795-23-9,"(6aR-cis)-2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione","9a-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",COc1cc2O[C@H]3OC=CC3(O)c2c4OC(=O)C5=C(CCC5=O)c14,COc1cc2O[C@H]3OC=CC3(O)c2c4OC(=O)C5=C(CCC5=O)c14,"InChI=1/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3",C17H12O7,,,,,,MJBWDEQAUQTVKK-TZHYSIJRSA-N,,,,,,,,,,,
100.027.152,229-867-5,6795-81-9,Bis(trichloromethyl)mercury,bis(trichloromethyl)mercury,ClC(Cl)(Cl)[Hg]C(Cl)(Cl)Cl,ClC(Cl)(Cl)[Hg]C(Cl)(Cl)Cl,"InChI=1/2CCl3.Hg/c2*2-1(3)4;/rC2Cl6Hg/c3-1(4,5)9-2(6,7)8",C2Cl6Hg,,,,,,MHPVYDSEDMUGIA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.159,229-874-3,6798-33-0,"Benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate","benzyl (2,2,2-trifluoro-1-hydroxyethyl)carbamate",OC(NC(=O)OCc1ccccc1)C(F)(F)F,OC(NC(=O)OCc1ccccc1)C(F)(F)F,"InChI=1/C10H10F3NO3/c11-10(12,13)8(15)14-9(16)17-6-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)",C10H10F3NO3,,,,,,HXWXCYLZKBKLEX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.166,229-882-7,6807-18-7,"4,4'-(1-methyloctylidene)bisphenol","4,4'-nonane-2,2-diyldiphenol",CCCCCCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,CCCCCCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C21H28O2/c1-3-4-5-6-7-16-21(2,17-8-12-19(22)13-9-17)18-10-14-20(23)15-11-18/h8-15,22-23H,3-7,16H2,1-2H3",C21H28O2,,,,,,KBWOAGGPYKQCAO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.170,229-886-9,6812-36-8,"3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaheptatetracontane-1,47-diol","3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaheptatetracontane-1,47-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C32H66O17/c33-1-3-35-5-7-37-9-11-39-13-15-41-17-19-43-21-23-45-25-27-47-29-31-49-32-30-48-28-26-46-24-22-44-20-18-42-16-14-40-12-10-38-8-6-36-4-2-34/h33-34H,1-32H2",C32H66O17,,,,,,DHORSBRLGKJPFC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.173,229-890-0,6815-42-5,4-chloro-2-nitro-m-cresol,4-chloro-3-methyl-2-nitrophenol,Cc1c(Cl)ccc(O)c1[N+](=O)[O-],Cc1c(Cl)ccc(O)c1[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-4-5(8)2-3-6(10)7(4)9(11)12/h2-3,10H,1H3",C7H6ClNO3,,,,,,CPLAVZOCFVGOGO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.179,229-896-3,6820-54-8,"ß-d-Glucopyranosiduronic acid, 4-[1,3-dihydro-1-(4-hydroxyphenyl)-3-oxo-1-isobenzofuranyl]phenyl, monosodium salt","sodium 3,4,5-trihydroxy-6-{4-[1-(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenoxy}tetrahydro-2H-pyran-2-carboxylate (non-preferred name)",[Na+].O[C@H]1C(Oc2ccc(cc2)C3(OC(=O)c4ccccc34)c5ccc(O)cc5)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)[O-],[Na+].O[C@H]1C(Oc2ccc(cc2)C3(OC(=O)c4ccccc34)c5ccc(O)cc5)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)[O-],"InChI=1/C26H22O10.Na/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32;/h1-12,19-22,25,27-30H,(H,31,32);/q;+1/p-1",C26H22O10.Na,,,,,,GBLJULUMBNYFAK-BYRFHZBMSA-M,,,,,,,,,,,
100.027.182,229-900-3,6825-25-8,5-nitro-N-phenylpyridin-2-amine,5-nitro-N-phenylpyridin-2-amine,[O-][N+](=O)c1ccc(Nc2ccccc2)nc1,[O-][N+](=O)c1ccc(Nc2ccccc2)nc1,"InChI=1/C11H9N3O2/c15-14(16)10-6-7-11(12-8-10)13-9-4-2-1-3-5-9/h1-8H,(H,12,13)",C11H9N3O2,,,,,,NIPKIXLTWQXXEE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.184,229-902-4,6826-53-5,"Disodium 3-[[5-chloro-2-(phenylmethoxy)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate","disodium 3-{[2-(benzyloxy)-5-chlorophenyl]diazenyl}-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonate",[Na+].[Na+].Clc5cc(N=Nc3c(cc2cc(cc(NS(=O)(=O)c1ccc(C)cc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(OCc4ccccc4)cc5,[Na+].[Na+].Clc5cc(N=Nc3c(cc2cc(cc(NS(=O)(=O)c1ccc(C)cc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(OCc4ccccc4)cc5,"InChI=1/C30H24ClN3O10S3.2Na/c1-18-7-10-22(11-8-18)45(36,37)34-25-16-23(46(38,39)40)13-20-14-27(47(41,42)43)29(30(35)28(20)25)33-32-24-15-21(31)9-12-26(24)44-17-19-5-3-2-4-6-19;;/h2-16,34-35H,17H2,1H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C30H24ClN3O10S3.2Na,,,,,,OHOXQHNWXQPWPZ-UHFFFAOYSA-L,,,,,,,,,,,
100.021.219,223-339-8,3844-45-9,"Dihydrogen (ethyl)[4-[4-[ethyl(3-sulphonatobenzyl)]amino]-2'-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, disodium salt","disodium 2-({4-[ethyl(3-sulfonatobenzyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl)benzenesulfonate",[Na+].[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-],[Na+].[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-],"InChI=1/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2",C37H36N2O9S3.2Na,,,,,,SGHZXLIDFTYFHQ-UHFFFAOYSA-L,,,,,,,,,,,
100.018.107,219-916-9,2571-39-3,"3,4-dimethylbenzophenone","(3,4-dimethylphenyl)(phenyl)methanone",Cc1ccc(cc1C)C(=O)c2ccccc2,Cc1ccc(cc1C)C(=O)c2ccccc2,"InChI=1/C15H14O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3",C15H14O,,,,,,JENOLWCGNVWTJN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.109,219-919-5,2571-88-2,"N,N-dimethyloctadecylamine N-oxide",dimethyl(octadecyl)amine oxide,CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h4-20H2,1-3H3",C20H43NO,,,,,,UTTVXKGNTWZECK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.119,219-930-5,2577-40-4,3-phenyl-N-(3-phenyl-L-alanyl)-L-alanine,phenylalanyl-L-phenylalanine,N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,"InChI=1/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)",C18H20N2O3,,,,,,GKZIWHRNKRBEOH-HOTGVXAUSA-N,,,,,,,,,,,
100.019.625,221-587-1,3151-39-1,Bis(2-ethylhexyl) phenylphosphonate,bis(2-ethylhexyl) phenylphosphonate,CCCCC(CC)COP(=O)(OCC(CC)CCCC)c1ccccc1,CCCCC(CC)COP(=O)(OCC(CC)CCCC)c1ccccc1,"InChI=1/C22H39O3P/c1-5-9-14-20(7-3)18-24-26(23,22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3",C22H39O3P,,,,,,POYAQWAYIGGXOL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.627,221-589-2,3152-68-9,1-phenylpent-1-en-3-one,1-phenylpent-1-en-3-one,CCC(=O)C=Cc1ccccc1,CCC(=O)C=Cc1ccccc1,"InChI=1/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3",C11H12O,,,,,,LVGUHATVVHIJET-UHFFFAOYSA-N,,,,,,,,,,,
100.019.631,221-593-4,3153-44-4,3-(4-methoxybenzoyl)propionic acid,4-(4-methoxyphenyl)-4-oxobutanoic acid,COc1ccc(cc1)C(=O)CCC(=O)O,COc1ccc(cc1)C(=O)CCC(=O)O,"InChI=1/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)",C11H12O4,,,,,,OMTDIBZSUZNVJK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.635,221-598-1,3158-26-7,Octyl isocyanate,1-isocyanatooctane,CCCCCCCCN=C=O,CCCCCCCCN=C=O,"InChI=1/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3",C9H17NO,,,,,,DYQFCTCUULUMTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.637,221-600-0,3158-73-4,2-cyclopropylaniline,2-cyclopropylaniline,Nc1ccccc1C2CC2,Nc1ccccc1C2CC2,"InChI=1/C9H11N/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6,10H2",C9H11N,,,,,,JSKOLQWFMXYJAF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.643,221-606-3,3160-32-5,4-methyl-1-phenylpent-1-en-3-one,4-methyl-1-phenylpent-1-en-3-one,CC(C)C(=O)C=Cc1ccccc1,CC(C)C(=O)C=Cc1ccccc1,"InChI=1/C12H14O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3",C12H14O,,,,,,CAXIQKXPSQYDIR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.646,221-610-5,3160-40-5,4-(4-chlorophenyl)-3-buten-2-one,4-(4-chlorophenyl)but-3-en-2-one,Clc1ccc(C=CC(C)=O)cc1,Clc1ccc(C=CC(C)=O)cc1,"InChI=1/C10H9ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3",C10H9ClO,,,,,,UUKRKWJGNHNTRG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.647,221-611-0,3160-59-6,N-benzyloxycarbonyl-L-isoleucine,N-[(benzyloxy)carbonyl]-L-isoleucine,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)",C14H19NO4,,,,,,JSHXJPFZKBRLFU-KFJBMODSSA-N,,,,,,,,,,,
100.016.643,218-307-5,2114-00-3,2-bromopropiophenone,2-bromo-1-phenylpropan-1-one,O=C(C(Br)C)c1ccccc1,O=C(C(Br)C)c1ccccc1,"InChI=1/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3",C9H9BrO,,,,,,WPDWOCRJBPXJFM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.644,218-308-0,5/02/2114,1-amidino-2-thiourea,1-carbamimidoylthiourea,NC(=N)NC(=S)N,NC(=N)NC(=S)N,"InChI=1/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)",C2H6N4S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6581,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.644,OKGXJRGLYVRVNE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.648,218-312-2,2114-29-6,1-phenylpropyl acetate,1-phenylpropyl acetate,CCC(OC(=O)C)c1ccccc1,CCC(OC(=O)C)c1ccccc1,"InChI=1/C11H14O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3",C11H14O2,,,,,,KPUCACGWLYWKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.650,218-314-3,2114-33-2,a-methylphenethyl acetate,1-methyl-2-phenylethyl acetate,CC(Cc1ccccc1)OC(=O)C,CC(Cc1ccccc1)OC(=O)C,"InChI=1/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3",C11H14O2,,,,,,LOHDWLZDQXQLJA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.652,218-316-4,2114-42-3,Allylcyclohexane,allylcyclohexane,C=CCC1CCCCC1,C=CCC1CCCCC1,"InChI=1/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2",C9H16,,,,,,KVOZXXSUSRZIKD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.869,219-655-0,2491-38-5,2-bromo-1-(4-hydroxyphenyl)ethan-1-one,2-bromo-1-(4-hydroxyphenyl)ethanone,Oc1ccc(cc1)C(=O)CBr,Oc1ccc(cc1)C(=O)CBr,"InChI=1/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2",C8H7BrO2,,,,,,LJYOFQHKEWTQRH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.871,219-657-1,2491-71-6,Sodium 4'-aminoazobenzene-4-sulphonate,sodium 4-[(4-aminophenyl)diazenyl]benzenesulfonate,[Na+].Nc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)[O-],[Na+].Nc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C12H11N3O3S.Na/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1",C12H11N3O3S.Na,,,,,,FIXVWFINKCQNFG-UHFFFAOYSA-M,,,,,,,,,,,
100.019.381,221-318-8,3065-87-0,"1,5-dihydroxy-4-nitro-8-(phenylamino)anthraquinone","1-anilino-4,8-dihydroxy-5-nitro-9,10-anthraquinone",Oc1ccc(Nc2ccccc2)c3C(=O)c4c(O)ccc(c4C(=O)c13)[N+](=O)[O-],Oc1ccc(Nc2ccccc2)c3C(=O)c4c(O)ccc(c4C(=O)c13)[N+](=O)[O-],"InChI=1/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)16-12(22(27)28)7-9-14(24)18(16)19(15)25/h1-9,21,23-24H",C20H12N2O6,,,,,,PHLHEYMNKXWDMC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.388,221-326-1,3068-39-1,"3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chloride","3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthenium chloride",[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OC)c2cc1C,[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OC)c2cc1C,"InChI=1/C27H29N2O3.ClH/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;/h8-15,28-29H,6-7H2,1-5H3;1H/q+1;/p-1",C27H29N2O3.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16868,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.388,WDTZNHRKHNKDOU-UHFFFAOYSA-M,,,,,,,,,,,
100.019.394,221-332-4,3069-21-4,Dodecyltrimethoxysilane,dodecyl(trimethoxy)silane,CCCCCCCCCCCC[Si](OC)(OC)OC,CCCCCCCCCCCC[Si](OC)(OC)OC,"InChI=1/C15H34O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4/h5-15H2,1-4H3",C15H34O3Si,,,,,,SCPWMSBAGXEGPW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.396,221-335-0,3069-26-9,3-[tris(2-methoxyethoxy)silyl]propylamine,3-[tris(2-methoxyethoxy)silyl]propan-1-amine,COCCO[Si](CCCN)(OCCOC)OCCOC,COCCO[Si](CCCN)(OCCOC)OCCOC,"InChI=1/C12H29NO6Si/c1-14-6-9-17-20(12-4-5-13,18-10-7-15-2)19-11-8-16-3/h4-13H2,1-3H3",C12H29NO6Si,,,,,,UWVCSCFFSAPGAI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.398,221-337-1,3069-33-8,N-[3-(methoxydimethylsilyl)propyl]ethylenediamine,"N-{3-[methoxy(dimethyl)silyl]propyl}ethane-1,2-diamine",CO[Si](C)(C)CCCNCCN,CO[Si](C)(C)CCCNCCN,"InChI=1/C8H22N2OSi/c1-11-12(2,3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3",C8H22N2OSi,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17243,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.398,GDYNEEHLNBYCLY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.400,221-339-2,3069-42-9,Trimethoxyoctadecylsilane,trimethoxy(octadecyl)silane,CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC,CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC,"InChI=1/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3",C21H46O3Si,,,,,,SLYCYWCVSGPDFR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.402,221-341-3,3071-32-7,1-phenylethyl hydroperoxide,1-phenylethyl hydroperoxide,CC(OO)c1ccccc1,CC(OO)c1ccccc1,"InChI=1/C8H10O2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,9H,1H3",C8H10O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1777,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.402,GQNOPVSQPBUJKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.403,221-342-9,3071-70-3,"3-ethyl-2-[7-(3-ethyl-3H-benzothiazol-2-ylidene)hepta-1,3,5-trienyl]benzothiazolium iodide","3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4ccccc4sc3C=CC=CC=CC=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4sc3C=CC=CC=CC=C2Sc1ccccc1N2CC,"InChI=1/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",C25H25N2S2.I,,,,,,OYVFJKVYVDYPFV-UHFFFAOYSA-M,,,,,,,,,,,
100.019.405,221-345-5,4/02/3072,Dilauryl adipate,didodecyl adipate,CCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCC,"InChI=1/C30H58O4/c1-3-5-7-9-11-13-15-17-19-23-27-33-29(31)25-21-22-26-30(32)34-28-24-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C30H58O4,,,,,,GHKVUVOPHDYRJC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.350,223-484-7,3918-33-0,"3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-one","3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanone",CC1C2CC(CC2C3CCCC(=O)C3)C1(C)C,CC1C2CC(CC2C3CCCC(=O)C3)C1(C)C,"InChI=1/C16H26O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-12,14-15H,4-9H2,1-3H3",C16H26O,,,,,,HMGCHONRNBIROB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.353,223-487-3,3919-76-4,"3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylic acid","3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylic acid",Cc1onc(c1C(=O)O)c2c(Cl)cccc2Cl,Cc1onc(c1C(=O)O)c2c(Cl)cccc2Cl,"InChI=1/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)",C11H7Cl2NO3,,,,,,WQXUUMUOERZZAE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.356,223-491-5,3921-30-0,Decyl dihydrogen phosphate,decyl dihydrogen phosphate,CCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCOP(=O)(O)O,"InChI=1/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)",C10H23O4P,,,,,,SCIGVHCNNXTQDB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.092,219-900-1,2566-89-4,"Methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","methyl icosa-5,8,11,14-tetraenoate",CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC(=O)OC,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC,"InChI=1/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3",C21H34O2,,,,,,OFIDNKMQBYGNIW-ZKWNWVNESA-N,,,,,,,,,,,
100.018.093,219-901-7,2566-97-4,"Methyl (9E,12E)-octadeca-9,12-dienoate","methyl octadeca-9,12-dienoate",CCCCC\\C=C\\C\\C=C\\CCCCCCCC(=O)OC,CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC,"InChI=1/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3",C19H34O2,,,,,,WTTJVINHCBCLGX-ZDVGBALWSA-N,,,,,,,,,,,
100.018.098,219-906-4,2568-25-4,"4-methyl-2-phenyl-1,3-dioxolane","4-methyl-2-phenyl-1,3-dioxolane",CC1COC(O1)c2ccccc2,CC1COC(O1)c2ccccc2,"InChI=1/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",C10H12O2,,,,,,CDIKGISJRLTLRA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.099,219-908-5,2568-30-1,"2-(chloromethyl)-1,3-dioxolane","2-(chloromethyl)-1,3-dioxolane",ClCC1OCCO1,ClCC1OCCO1,"InChI=1/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H2",C4H7ClO2,,,,,,IKZOMJGRWIOEDP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.102,219-911-1,9/01/2569,"Tris(2-hydroxyethyl)ammonium (o,p-dichlorophenoxy)acetate","2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium (2,4-dichlorophenoxy)acetate",OCC[NH+](CCO)CCO.[O-]C(=O)COc1ccc(Cl)cc1Cl,OCC[NH+](CCO)CCO.[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.C6H15NO3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;8-4-1-7(2-5-9)3-6-10/h1-3H,4H2,(H,11,12);8-10H,1-6H2",C8H6Cl2O3.C6H15NO3,,,,,,OLHMQEQGSVBLTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.602,224-860-3,4525-44-4,Dichloroethylmethylsilane,dichloro(ethyl)methylsilane,CC[Si](C)(Cl)Cl,CC[Si](C)(Cl)Cl,"InChI=1/C3H8Cl2Si/c1-3-6(2,4)5/h3H2,1-2H3",C3H8Cl2Si,,,,,,PNECSTWRDNQOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.606,224-865-0,4530-31-8,N-dichloroacetyl-DL-serine,N-(dichloroacetyl)-L-serine,O=C(O)[C@@H](NC(=O)C(Cl)Cl)CO,O=C(O)[C@@H](NC(=O)C(Cl)Cl)CO,"InChI=1/C5H7Cl2NO4/c6-3(7)4(10)8-2(1-9)5(11)12/h2-3,9H,1H2,(H,8,10)(H,11,12)",C5H7Cl2NO4,,,,,,POBGWTZPKSVJFM-REOHCLBHSA-N,,,,,,,,,,,
100.022.614,224-873-4,4533-95-3,2-chloro-5-nitrobenzenesulphonyl chloride,2-chloro-5-nitrobenzenesulfonyl chloride,[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)Cl,[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)Cl,"InChI=1/C6H3Cl2NO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H",C6H3Cl2NO4S,,,,,,COZWQPZDKVIVFS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.620,224-880-2,4535-81-3,Dibutyl(2-chloroethyl)ammonium chloride,N-butyl-N-(2-chloroethyl)butan-1-aminium chloride,[Cl-].CCCC[NH+](CCCl)CCCC,[Cl-].CCCC[NH+](CCCl)CCCC,"InChI=1/C10H22ClN.ClH/c1-3-5-8-12(10-7-11)9-6-4-2;/h3-10H2,1-2H3;1H",C10H22ClN.ClH,,,,,,OWFDMTIOBATGBR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.621,224-881-8,4535-85-7,3-chloropropyl(diethyl)amine hydrochloride,"3-chloro-N,N-diethylpropan-1-amine hydrochloride",Cl.CCN(CC)CCCCl,Cl.CCN(CC)CCCCl,"InChI=1/C7H16ClN.ClH/c1-3-9(4-2)7-5-6-8;/h3-7H2,1-2H3;1H",C7H16ClN.ClH,,,,,,FBDKONZGCAAZJK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.626,218-288-3,2107-70-2,"3-(3,4-dimethoxyphenyl)propionic acid","3-(3,4-dimethoxyphenyl)propanoic acid",COc1ccc(CCC(=O)O)cc1OC,COc1ccc(CCC(=O)O)cc1OC,"InChI=1/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)",C11H14O4,,,,,,LHHKQWQTBCTDQM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.635,218-298-8,2109-66-2,4-(2-hydroxypropyl)morpholine,1-morpholin-4-ylpropan-2-ol,CC(O)CN1CCOCC1,CC(O)CN1CCOCC1,"InChI=1/C7H15NO2/c1-7(9)6-8-2-4-10-5-3-8/h7,9H,2-6H2,1H3",C7H15NO2,,,,,,YAXQOLYGKLGQKA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.640,218-303-3,2113-51-1,2-iodobiphenyl,2-iodobiphenyl,Ic1ccccc1c2ccccc2,Ic1ccccc1c2ccccc2,InChI=1/C12H9I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,C12H9I,,,,,,QFUYDAGNUJWBSM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.641,218-304-9,2113-57-7,3-bromobiphenyl,3-bromobiphenyl,Brc1cccc(c1)c2ccccc2,Brc1cccc(c1)c2ccccc2,InChI=1/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,C12H9Br,,,,,,USYQKCQEVBFJRP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.946,217-539-4,1882-42-4,4-tert-butylpiperidine,4-tert-butylpiperidine,CC(C)(C)C1CCNCC1,CC(C)(C)C1CCNCC1,"InChI=1/C9H19N/c1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3",C9H19N,,,,,,HAKKTZOUPCDMCN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.948,217-542-0,1883-09-6,"L-2,4-diaminobutyric acid dihydrochloride","2,4-diaminobutanoic acid dihydrochloride",Cl.Cl.NCCC(N)C(=O)O,Cl.Cl.NCCC(N)C(=O)O,"InChI=1/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H",C4H10N2O2.2ClH,,,,,,CKAAWCHIBBNLOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.950,217-544-1,1883-75-6,"Furan-2,5-diyldimethanol","furan-2,5-diyldimethanol",OCc1oc(CO)cc1,OCc1oc(CO)cc1,"InChI=1/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2",C6H8O3,,,,,,DSLRVRBSNLHVBH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.952,217-546-2,1885-13-8,4-methoxyphthalic acid,4-methoxyphthalic acid,COc1ccc(C(=O)O)c(c1)C(=O)O,COc1ccc(C(=O)O)c(c1)C(=O)O,"InChI=1/C9H8O5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)",C9H8O5,,,,,,JKZSIEDAEHZAHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.715,216-186-3,1520-44-1,"(1-methylpropane-1,3-diyl)dibenzene","1,1'-butane-1,3-diyldibenzene",CC(CCc1ccccc1)c2ccccc2,CC(CCc1ccccc1)c2ccccc2,"InChI=1/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3",C16H18,,,,,,PDINXYLAVFUHSA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.717,216-188-4,1521-38-6,"2,3-dimethoxybenzoic acid","2,3-dimethoxybenzoic acid",COc1cccc(C(=O)O)c1OC,COc1cccc(C(=O)O)c1OC,"InChI=1/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)",C9H10O4,,,,,,FODBVCSYJKNBLO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.723,216-195-2,1524-86-3,"9-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione","4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO,CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO,"InChI=1/C24H33FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h9,15-17,19,26,28H,5-8,10-12H2,1-4H3",C24H33FO6,,,,,,TZFZVQNBXVBQDC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.724,216-196-8,1524-88-5,Fludroxycortide,"12-fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3",C24H33FO6,,,,,,POPFMWWJOGLOIF-XWCQMRHXSA-N,,,,,,,,,,,
100.014.725,216-197-3,1525-77-5,"6ß-fluoro-3ß,5a,17-trihydroxy-16a-methylpregnan-20-one 3-acetate","6-fluoro-5,17-dihydroxy-16-methyl-20-oxopregnan-3-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C)OC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C)OC(=O)C,"InChI=1/C24H37FO5/c1-13-10-19-17-11-20(25)23(28)12-16(30-15(3)27)6-8-21(23,4)18(17)7-9-22(19,5)24(13,29)14(2)26/h13,16-20,28-29H,6-12H2,1-5H3",C24H37FO5,,,,,,NJDYIKQAOCYLKB-MZVKURBCSA-N,,,,,,,,,,,
100.014.726,216-198-9,1526-01-8,"6-a-fluoro-21-hydroxy-16-a,17-a-isopropylidenedioxypregn-4-ene-3,20-dione","12-fluoro-6b-glycoloyl-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)OC2CC3C4CC(F)C5=CC(=O)CCC5(C)C4CCC3(C)C2(O1)C(=O)CO,CC1(C)OC2CC3C4CC(F)C5=CC(=O)CCC5(C)C4CCC3(C)C2(O1)C(=O)CO,"InChI=1/C24H33FO5/c1-21(2)29-20-11-16-14-10-18(25)17-9-13(27)5-7-22(17,3)15(14)6-8-23(16,4)24(20,30-21)19(28)12-26/h9,14-16,18,20,26H,5-8,10-12H2,1-4H3",C24H33FO5,,,,,,DQXQPCJFQLIAJD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.734,216-207-6,1528-48-9,"Triheptyl benzene-1,2,4-tricarboxylate","triheptyl benzene-1,2,4-tricarboxylate",CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC)c(c1)C(=O)OCCCCCCC,CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC)c(c1)C(=O)OCCCCCCC,"InChI=1/C30H48O6/c1-4-7-10-13-16-21-34-28(31)25-19-20-26(29(32)35-22-17-14-11-8-5-2)27(24-25)30(33)36-23-18-15-12-9-6-3/h19-20,24H,4-18,21-23H2,1-3H3",C30H48O6,,,,,,SYKYENWAGZGAFV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.735,216-208-1,1528-49-0,"Trihexyl benzene-1,2,4-tricarboxylate","trihexyl benzene-1,2,4-tricarboxylate",CCCCCCOC(=O)c1ccc(C(=O)OCCCCCC)c(c1)C(=O)OCCCCCC,CCCCCCOC(=O)c1ccc(C(=O)OCCCCCC)c(c1)C(=O)OCCCCCC,"InChI=1/C27H42O6/c1-4-7-10-13-18-31-25(28)22-16-17-23(26(29)32-19-14-11-8-5-2)24(21-22)27(30)33-20-15-12-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3",C27H42O6,,,,,,MXHBQKVKHGQWRB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.736,216-209-7,1528-52-5,"Triisobutyl benzene-1,2,4-tricarboxylate","triisobutyl benzene-1,2,4-tricarboxylate",CC(C)COC(=O)c1ccc(C(=O)OCC(C)C)c(c1)C(=O)OCC(C)C,CC(C)COC(=O)c1ccc(C(=O)OCC(C)C)c(c1)C(=O)OCC(C)C,"InChI=1/C21H30O6/c1-13(2)10-25-19(22)16-7-8-17(20(23)26-11-14(3)4)18(9-16)21(24)27-12-15(5)6/h7-9,13-15H,10-12H2,1-6H3",C21H30O6,,,,,,GQBWSGXZXIZPAF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.737,216-210-2,1528-74-1,"4,4'-dinitrobiphenyl","4,4'-dinitrobiphenyl",[O-][N+](=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],InChI=1/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,C12H8N2O4,,,,,,BDLNCFCZHNKBGI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.741,216-214-4,1529-47-1,Chlorotrimethylgermane,chloro(trimethyl)germane,C[Ge](C)(C)Cl,C[Ge](C)(C)Cl,"InChI=1/C3H9ClGe/c1-5(2,3)4/h1-3H3",C3H9ClGe,,,,,,ZZBNZZCHSNOXOH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.743,216-217-0,1529-57-3,Triicosylaluminium,triicosylaluminum,CCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC,"InChI=1/3C20H41.Al/c3*1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;/h3*1,3-20H2,2H3;/rC60H123Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61(59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-60H2,1-3H3",C60H123Al,,,,,,FNZVPOPUGCLHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.980,225-278-2,4753-75-7,N-furfuryl-N-methylamine,1-(2-furyl)-N-methylmethanamine,CNCc1occc1,CNCc1occc1,"InChI=1/C6H9NO/c1-7-5-6-3-2-4-8-6/h2-4,7H,5H2,1H3",C6H9NO,,,,,,DGLIOWSKNOCHEX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.654,218-319-0,2116-65-6,4-benzylpyridine,4-benzylpyridine,C(c1ccccc1)c2ccncc2,C(c1ccccc1)c2ccncc2,"InChI=1/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2",C12H11N,,,,,,DBOLXXRVIFGDTI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.656,218-321-1,5/11/2117,Pent-4-yn-2-ol,pent-4-yn-2-ol,CC(O)CC#C,CC(O)CC#C,"InChI=1/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3",C5H8O,,,,,,JTHLRRZARWSHBE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.658,218-323-2,2117-36-4,Tributylchlorogermane,tributyl(chloro)germane,CCCC[Ge](Cl)(CCCC)CCCC,CCCC[Ge](Cl)(CCCC)CCCC,"InChI=1/C12H27ClGe/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27ClGe,,,,,,MWNSUONCJRRKFE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.664,218-330-0,2121-67-7,"2,4-dimethylglutaric acid","2,4-dimethylpentanedioic acid",CC(CC(C)C(=O)O)C(=O)O,CC(CC(C)C(=O)O)C(=O)O,"InChI=1/C7H12O4/c1-4(6(8)9)3-5(2)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,VIWYMIDWAOZEAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.666,218-332-1,2122-70-5,Ethyl 1-naphthylacetate,ethyl 1-naphthylacetate,CCOC(=O)Cc1cccc2ccccc12,CCOC(=O)Cc1cccc2ccccc12,"InChI=1/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3",C14H14O2,,,,,,XIDPSKQLXKCVQN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.678,218-345-2,2128-93-0,4-phenylbenzophenone,biphenyl-4-yl(phenyl)methanone,O=C(c1ccccc1)c2ccc(cc2)c3ccccc3,O=C(c1ccccc1)c2ccc(cc2)c3ccccc3,InChI=1/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,C19H14O,,,,,,LYXOWKPVTCPORE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.686,218-354-1,2131-38-6,"1,3,7-trimethylnaphthalene","1,3,7-trimethylnaphthalene",Cc1ccc2cc(C)cc(C)c2c1,Cc1ccc2cc(C)cc(C)c2c1,"InChI=1/C13H14/c1-9-4-5-12-7-10(2)6-11(3)13(12)8-9/h4-8H,1-3H3",C13H14,,,,,,HXDVFWJRDVUZFT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.994,217-592-3,1899-02-1,"N,N,N-trimethylanilinium hydroxide","N,N,N-trimethylanilinium hydroxide",[OH-].C[N+](C)(C)c1ccccc1,[OH-].C[N+](C)(C)c1ccccc1,"InChI=1/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1",C9H14N.HO,,,,,,HADKRTWCOYPCPH-UHFFFAOYSA-M,,,,,,,,,,,
100.015.996,217-594-4,1899-40-7,"5,6,7,8-tetrahydroquinazoline-2,4-diamine","5,6,7,8-tetrahydroquinazoline-2,4-diamine",Nc1nc(N)c2CCCCc2n1,Nc1nc(N)c2CCCCc2n1,"InChI=1/C8H12N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H2,(H4,9,10,11,12)",C8H12N4,,,,,,ILYYGQJVLQUTAM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.004,217-603-1,1904-16-1,"2,5-dimethylpyrrolidine-1-propanol","3-(2,5-dimethylpyrrolidin-1-yl)propan-1-ol",CC1CCC(C)N1CCCO,CC1CCC(C)N1CCCO,"InChI=1/C9H19NO/c1-8-4-5-9(2)10(8)6-3-7-11/h8-9,11H,3-7H2,1-2H3",C9H19NO,,,,,,NAXTXBAUPVGPMV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.005,217-604-7,1904-58-1,Anthranilohydrazide,2-aminobenzohydrazide,NNC(=O)c1ccccc1N,NNC(=O)c1ccccc1N,"InChI=1/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11)",C7H9N3O,,,,,,GRWMSCBKWMQPON-UHFFFAOYSA-N,,,,,,,,,,,
100.016.008,217-607-3,1906-79-2,1-ethylpyridinium bromide,1-ethylpyridinium bromide,[Br-].CC[n+]1ccccc1,[Br-].CC[n+]1ccccc1,"InChI=1/C7H10N.BrH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1",C7H10N.Br,,,,,,ABFDKXBSQCTIKH-UHFFFAOYSA-M,,,,,,,,,,,
100.016.010,217-609-4,1907-13-7,Triethyltin acetate,triethylstannanylium acetate,CC[Sn+](CC)CC.CC(=O)[O-],CC[Sn+](CC)CC.CC(=O)[O-],"InChI=1/C2H4O2.3C2H5.Sn/c1-2(3)4;3*1-2;/h1H3,(H,3,4);3*1H2,2H3;/q;;;;+1/p-1/rC6H15Sn.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C8H18O2Sn,,,,,,WOUNUBHOYKWRNA-UHFFFAOYSA-M,,,,,,,,,,,
100.016.014,217-614-1,1908-87-8,3-methylthiazolidine-2-thione,"3-methyl-1,3-thiazolidine-2-thione",CN1CCSC1=S,CN1CCSC1=S,"InChI=1/C4H7NS2/c1-5-2-3-7-4(5)6/h2-3H2,1H3",C4H7NS2,,,,,,RGTLAJIDOSPEDH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.017,217-617-8,1912-24-9,Atrazine,"6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine",CCNc1nc(Cl)nc(NC(C)C)n1,CCNc1nc(Cl)nc(NC(C)C)n1,"InChI=1/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",C8H14ClN5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10766,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.017,MXWJVTOOROXGIU-UHFFFAOYSA-N,Positive,AU310901|AU310902|AU310903|AU310904|AU310905;SM841401;EA028801|EA028802|EA028803|EA028804|EA028805|EA028806|EA028807|EA028808|EA028809|EA028810|EA028811|EA028812|EA028813|EA028814;UF403301|UF403302|UF403303|UF403304;UA002901|UA002903,[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55;CID35|CID35,216.1006:218.0976:217.1033|174.0531:216.1005:176.0501|174.0531:132.0316:176.0501|146.022:132.0319:174.0532|146.0217:132.0319:138.076;216.1011:174.0541:96.0556;174.0543:138.1026:96.0556|216.1012|216.1012:174.0546:96.0556|174.0544:216.1014:104.001|174.0541:104.0011:132.0325|104.0011:174.0537:68.0244|104.001:68.0243:79.0058|216.1012|216.1012:174.0541:96.0554|174.0544:216.1012:104.0011|174.0542:104.001:132.0323|174.0542:104.0011:68.0243|104.0011:68.0243:79.0058|174.0542:138.1026:96.0556;174.054:216.1009:104.0009|104.0009:174.054:96.0555|174.0539:216.1009:138.1026|174.054:138.1026:96.0556;174.0541:216.101:96.0556|174.0539:216.1006:138.1023,Athens_Univ;CASMI_2016;Eawag;UFZ;UFZ_Additional_Specs,,,,,
100.016.019,217-619-9,1912-31-8,Propyl methanesulphonate,propyl methanesulfonate,CCCOS(=O)(=O)C,CCCOS(=O)(=O)C,"InChI=1/C4H10O3S/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3",C4H10O3S,,,,,,DKORSYDQYFVQNS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.021,217-622-5,1912-33-0,Methyl indol-3-ylacetate,methyl 1H-indol-3-ylacetate,COC(=O)Cc1c[nH]c2ccccc12,COC(=O)Cc1c[nH]c2ccccc12,"InChI=1/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",C11H11NO2,,,,,,KTHADMDGDNYQRX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.024,217-625-1,1912-84-1,Tin dioleate,-,[Sn+4].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Sn+4].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+4/p-2",C18H34O2.1/2Sn,,,,,,PMUZYLYHGBOQMX-CVBJKYQLSA-L,,,,,,,,,,,
100.016.030,217-631-4,1917-92-6,"Pentyl (2,4-dichlorophenoxy)acetate","pentyl (2,4-dichlorophenoxy)acetate",CCCCCOC(=O)COc1ccc(Cl)cc1Cl,CCCCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C13H16Cl2O3/c1-2-3-4-7-17-13(16)9-18-12-6-5-10(14)8-11(12)15/h5-6,8H,2-4,7,9H2,1H3",C13H16Cl2O3,,,,,,VZCCHPAEDSPPDG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.359,223-494-1,3922-61-0,"(R)-1-(3-hydroxy-7-methyl-2,4-dioxa-7-aza-3-phosphaoct-1-yl)ethylene dipalmitate P-oxide","5-hydroxy-9-methyl-5-oxido-2-(palmitoyloxy)-4,6-dioxa-9-aza-5-phosphadec-1-yl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C39H78NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3)4)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3,(H,43,44)",C39H78NO8P,,,,,,SKWDCOTXHWCSGS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.360,223-495-7,3922-90-5,Oleandomycin,"6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside",CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O,CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O,"InChI=1/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3",C35H61NO12,,,,,,RZPAKFUAFGMUPI-KGIGTXTPSA-N,,,,,,,,,,,
100.021.370,223-506-5,6/09/3934,Cesium 2-methylpropan-2-olate,caesium 2-methylpropan-2-olate,CC(C)(C)O[Cs],CC(C)(C)O[Cs],"InChI=1/C4H9O.Cs/c1-4(2,3)5;/h1-3H3;/q-1;+1/rC4H9CsO/c1-4(2,3)6-5/h1-3H3",C4H10O.Cs,,,,,,NVBVGMKBMCZMFG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.371,223-507-0,9/10/3934,Rubidium 2-methylpropan-2-olate,rubidium 2-methylpropan-2-olate,[Rb+].CC(C)(C)[O-],[Rb+].CC(C)(C)[O-],"InChI=1/C4H9O.Rb/c1-4(2,3)5;/h1-3H3;/q-1;+1",C4H10O.Rb,,,,,,CUGPDVWIMLFIQR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.372,223-508-6,3934-20-1,"2,4-dichloropyrimidine","2,4-dichloropyrimidine",Clc1ccnc(Cl)n1,Clc1ccnc(Cl)n1,InChI=1/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H,C4H2Cl2N2,,,,,,BTTNYQZNBZNDOR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.373,223-509-1,3934-23-4,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl methacrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H7F15O2/c1-4(2)5(28)29-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1,3H2,2H3",C12H7F15O2,,,,,,RUEKTOVLVIXOHT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.374,223-510-7,3934-76-7,4-phenylpyrogallol,"biphenyl-2,3,4-triol",Oc1ccc(c(O)c1O)c2ccccc2,Oc1ccc(c(O)c1O)c2ccccc2,"InChI=1/C12H10O3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7,13-15H",C12H10O3,,,,,,XRBNDLYHPCVYGC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.376,218-012-1,2038-57-5,3-phenylpropylamine,3-phenylpropan-1-amine,NCCCc1ccccc1,NCCCc1ccccc1,"InChI=1/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2",C9H13N,,,,,,LYUQWQRTDLVQGA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.388,218-025-2,2039-86-3,3-bromostyrene,1-bromo-3-vinylbenzene,Brc1cccc(C=C)c1,Brc1cccc(C=C)c1,"InChI=1/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2",C8H7Br,,,,,,KQJQPCJDKBKSLV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.390,218-027-3,2039-88-5,2-bromostyrene,1-bromo-2-vinylbenzene,Brc1ccccc1C=C,Brc1ccccc1C=C,"InChI=1/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2",C8H7Br,,,,,,SSZOCHFYWWVSAI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.777,221-754-9,3224-36-0,"2,4-dichloro-6-pyren-1-yl-1,3,5-triazine","2,4-dichloro-6-pyren-1-yl-1,3,5-triazine",Clc1nc(Cl)nc(n1)c2ccc3ccc4cccc5ccc2c3c45,Clc1nc(Cl)nc(n1)c2ccc3ccc4cccc5ccc2c3c45,InChI=1/C19H9Cl2N3/c20-18-22-17(23-19(21)24-18)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,C19H9Cl2N3,,,,,,ZDMAOBNCIJTNCB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.780,221-758-0,3226-65-1,Methionine S-oxide,2-amino-4-(methylsulfinyl)butanoic acid,CS(=O)CCC(N)C(=O)O,CS(=O)CCC(N)C(=O)O,"InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO3S,,,,,,QEFRNWWLZKMPFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.784,221-762-2,3/03/3228,5-isopropyl-m-cresol,3-isopropyl-5-methylphenol,CC(C)c1cc(C)cc(O)c1,CC(C)c1cc(C)cc(O)c1,"InChI=1/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3",C10H14O,,,,,,ZDUIHRJGDMTBEX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.786,221-764-3,3229-00-3,"1,3-dibromo-2,2-bis(bromomethyl)propane","1,3-dibromo-2,2-bis(bromomethyl)propane",BrCC(CBr)(CBr)CBr,BrCC(CBr)(CBr)CBr,"InChI=1/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2",C5H8Br4,,,,,,OYSVBCSOQFXYHK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.787,221-765-9,3229-73-0,"3-carbamoyl-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy","1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide",CC1(C)C=C(C(=O)N)C(C)(C)N1O,CC1(C)C=C(C(=O)N)C(C)(C)N1O,"InChI=1/C9H16N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h5,13H,1-4H3,(H2,10,12)",C9H15N2O2,,,,,,GMXOTWPDUBXCMS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.819,221-800-8,3238-40-2,"Furan-2,5-dicarboxylic acid","furan-2,5-dicarboxylic acid",OC(=O)c1oc(cc1)C(=O)O,OC(=O)c1oc(cc1)C(=O)O,"InChI=1/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)",C6H4O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10236,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.819,CHTHALBTIRVDBM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.613,217-174-0,1762-51-2,1-benzyl-4-(dimethylamino)piperidine-4-carboxamide,1-benzyl-4-(dimethylamino)piperidine-4-carboxamide,CN(C)C1(CCN(Cc2ccccc2)CC1)C(=O)N,CN(C)C1(CCN(Cc2ccccc2)CC1)C(=O)N,"InChI=1/C15H23N3O/c1-17(2)15(14(16)19)8-10-18(11-9-15)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H2,16,19)",C15H23N3O,,,,,,CTTXVHBXEKXREE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.954,217-548-3,1885-23-0,Dibromomalononitrile,dibromomalononitrile,BrC(Br)(C#N)C#N,BrC(Br)(C#N)C#N,"InChI=1/C3Br2N2/c4-3(5,1-6)2-7",C3Br2N2,,,,,,LUNYYTDCIRGSDM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.958,217-553-0,1885-76-3,6-nitro-2-toluonitrile,2-methyl-6-nitrobenzonitrile,Cc1cccc(c1C#N)N(=O)=O,Cc1cccc(c1C#N)N(=O)=O,"InChI=1/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3",C8H6N2O2,,,,,,BOTPDHNZLRJZOO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.962,217-557-2,1887-02-1,"2,3,5,6-tetrahydroxy-1,4-benzoquinone, disodium salt","disodium 2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diolate",OC1=C(O[Na])C(=O)C(=C(O[Na])C1=O)O,OC1=C(O[Na])C(=O)C(=C(O[Na])C1=O)O,"InChI=1/C6H4O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8,11-12H;;/q;2*+1/p-2",C6H4O6.2Na,,,,,,SOSMJTGSYNGZAV-UHFFFAOYSA-L,,,,,,,,,,,
100.015.971,217-567-7,1889-59-4,(ethylsulphonyl)ethylene,(ethylsulfonyl)ethene,CCS(=O)(=O)C=C,CCS(=O)(=O)C=C,"InChI=1/C4H8O2S/c1-3-7(5,6)4-2/h3H,1,4H2,2H3",C4H8O2S,,,,,,BJEWLOAZFAGNPE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.978,217-575-0,1892-26-8,2-hydroxyethyl phosphate,tris(2-hydroxyethyl) phosphate,OCCOP(=O)(OCCO)OCCO,OCCOP(=O)(OCCO)OCCO,"InChI=1/C6H15O7P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h7-9H,1-6H2",C2H7O5P,,,,,,MGEISCKTUGVOHN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.980,217-577-1,1892-31-5,Propanethioic acid,propanethioic S-acid,CCC(=O)S,CCC(=O)S,"InChI=1/C3H6OS/c1-2-3(4)5/h2H2,1H3,(H,4,5)",C3H6OS,,,,,,KOODSCBKXPPKHE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.982,217-579-2,1892-57-5,"N'-(ethylcarbonimidoyl)-N,N-dimethylpropane-1,3-diamine",N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide,CCN=C=NCCCN(C)C,CCN=C=NCCCN(C)C,"InChI=1/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3",C8H17N3,,,,,,LMDZBCPBFSXMTL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.984,217-581-3,1893-52-3,2-[ethyl[(tridecafluorohexyl)sulphonyl]amino]ethyl acrylate,2-{ethyl[(tridecafluorohexyl)sulfonyl]amino}ethyl acrylate,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H12F13NO4S/c1-3-7(28)31-6-5-27(4-2)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h3H,1,4-6H2,2H3",C13H12F13NO4S,,,,,,QJRQXQMZXHXNPA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.986,217-583-4,1895-19-8,"9-fluoro-11ß-hydroxy-6a-methylpregna-1,4-diene-3,20-dione","9-fluoro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C22H29FO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h7-8,10,12,15-16,18-19,26H,5-6,9,11H2,1-4H3",C22H29FO3,,,,,,ZHGQAFTZDPRKBI-ORKYMPNQSA-N,,,,,,,,,,,
100.021.178,223-294-4,3811-71-0,"Disodium 5-[[4'-[[2,4-diamino-5-[(4-sulphophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-[[4'-[[2,4-diamino-5-[(4-sulphophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate",[Na+].[Na+].OS(=O)(=O)c1ccc(cc1)N=Nc5cc(N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)c(c4)C([O-])=O)c(N)cc5N.O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4cc(N=Nc3ccc(cc3)S(O)(=O)=O)c(N)cc4N)cc5,[Na+].[Na+].OS(=O)(=O)c1ccc(cc1)N=Nc5cc(N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)c(c4)C([O-])=O)c(N)cc5N.O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4cc(N=Nc3ccc(cc3)S(O)(=O)=O)c(N)cc4N)cc5,"InChI=1/2C31H24N8O6S.2Na/c2*32-26-16-27(33)29(39-36-22-9-12-24(13-10-22)46(43,44)45)17-28(26)38-35-21-7-3-19(4-8-21)18-1-5-20(6-2-18)34-37-23-11-14-30(40)25(15-23)31(41)42;;/h2*1-17,40H,32-33H2,(H,41,42)(H,43,44,45);;/q;;2*+1/p-2",C31H24N8O6S.2Na,,,,,,UPBSMTFIHZNTIC-UHFFFAOYSA-L,,,,,,,,,,,
100.021.182,223-299-1,3813-13-6,"2',6-dichloro-2,4'-methylenedianiline",4-(2-amino-3-chlorobenzyl)-2-chloroaniline,Nc1ccc(Cc2cccc(Cl)c2N)cc1Cl,Nc1ccc(Cc2cccc(Cl)c2N)cc1Cl,"InChI=1/C13H12Cl2N2/c14-10-3-1-2-9(13(10)17)6-8-4-5-12(16)11(15)7-8/h1-5,7H,6,16-17H2",C13H12Cl2N2,,,,,,OWESKDKDULSMLC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.186,223-303-1,3814-55-9,(isobutoxymethyl)oxirane,2-(isobutoxymethyl)oxirane,CC(C)COCC1CO1,CC(C)COCC1CO1,"InChI=1/C7H14O2/c1-6(2)3-8-4-7-5-9-7/h6-7H,3-5H2,1-2H3",C7H14O2,,,,,,AQKDMKKMCVJJTC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.190,223-307-3,3818-54-0,"4,4'-thiobis[5-tert-butyl-m-cresol]","4,4'-sulfanediylbis(3-tert-butyl-5-methylphenol)",Cc1cc(O)cc(c1Sc2c(C)cc(O)cc2C(C)(C)C)C(C)(C)C,Cc1cc(O)cc(c1Sc2c(C)cc(O)cc2C(C)(C)C)C(C)(C)C,"InChI=1/C22H30O2S/c1-13-9-15(23)11-17(21(3,4)5)19(13)25-20-14(2)10-16(24)12-18(20)22(6,7)8/h9-12,23-24H,1-8H3",C22H30O2S,,,,,,MHIIENSHBMGNJE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.196,223-314-1,3820-14-2,Diethyl[2-[3-(p-methoxyphenyl)-2-phenylpropionyloxy]ethyl]ammonium chloride,"N,N-diethyl-2-{[3-(4-methoxyphenyl)-2-phenylpropanoyl]oxy}ethanaminium chloride",[Cl-].CC[NH+](CC)CCOC(=O)C(Cc1ccc(OC)cc1)c2ccccc2,[Cl-].CC[NH+](CC)CCOC(=O)C(Cc1ccc(OC)cc1)c2ccccc2,"InChI=1/C22H29NO3.ClH/c1-4-23(5-2)15-16-26-22(24)21(19-9-7-6-8-10-19)17-18-11-13-20(25-3)14-12-18;/h6-14,21H,4-5,15-17H2,1-3H3;1H",C22H29NO3.ClH,,,,,,ONSDBVPINMGIBB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.211,223-330-9,3840-30-0,"5-(chloromethyl)-1,2,3-trimethoxybenzene","5-(chloromethyl)-1,2,3-trimethoxybenzene",COc1cc(CCl)cc(OC)c1OC,COc1cc(CCl)cc(OC)c1OC,"InChI=1/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3",C10H13ClO3,,,,,,XXRUQNNAKXZSOS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.984,225-282-4,4755-33-3,"[1S-(1a,2ß,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptane","2,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,CC1CCC2CC1C2(C)C,"InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3",C10H18,,,,,,XOKSLPVRUOBDEW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.987,225-286-6,4755-81-1,Methyl 2-chloroacetoacetate,methyl 4-chloro-3-oxobutanoate,COC(=O)CC(=O)CCl,COC(=O)CC(=O)CCl,"InChI=1/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3",C5H7ClO3,,,,,,HFLMYYLFSNEOOT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.996,225-296-0,4759-48-2,Isotretinoin,retinoic acid,CC1(C)CCCC(\\C)=C1\\C=C\\C(\\C)=C\\C=CC(/C)=C\\C(O)=O,CC1(C)CCCC(\C)=C1\C=C\C(\C)=C\C=CC(/C)=C\C(O)=O,"InChI=1/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)",C20H28O2,,,,,,SHGAZHPCJJPHSC-MOLBHMLQSA-N,,,,,,,,,,,
100.023.129,225-442-3,4850-82-2,Ethyl 2-benzoyl-3-oxo-3-phenylpropionate,ethyl 2-benzoyl-3-oxo-3-phenylpropanoate,CCOC(=O)C(C(=O)c1ccccc1)C(=O)c2ccccc2,CCOC(=O)C(C(=O)c1ccccc1)C(=O)c2ccccc2,"InChI=1/C18H16O4/c1-2-22-18(21)15(16(19)13-9-5-3-6-10-13)17(20)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3",C18H16O4,,,,,,JHWPTSCKSATEQK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.144,225-459-6,4858-60-0,Mefenidramium metilsulfate,"2-(diphenylmethoxy)-N,N,N-trimethylethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2,COS(=O)(=O)[O-].C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2,"InChI=1/C18H24NO.CH4O4S/c1-19(2,3)14-15-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-5-6(2,3)4/h4-13,18H,14-15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C18H24NO.CH3O4S,,,,,,GTXRVYHDUSRDFT-UHFFFAOYSA-M,,,,,,,,,,,
100.023.146,225-461-7,1/03/4860,1-chlorohexadecane,1-chlorohexadecane,CCCCCCCCCCCCCCCCCl,CCCCCCCCCCCCCCCCCl,"InChI=1/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3",C16H33Cl,,,,,,CLWAXFZCVYJLLM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.147,225-462-2,4860-15-5,"[22a,25(R)]-28-acetylspirosol-5-en-3ß-yl acetate","4a,6a,7-trimethyl-5'-(2-oxopropyl)-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidin]-12-yl acetate (non-preferred name)",CC1C2C(CC3C4CC(=C5CCCCC5(C)C4CCC23C)OC(=O)C)OC16CCC(CC(=O)C)CN6,CC1C2C(CC3C4CC(=C5CCCCC5(C)C4CCC23C)OC(=O)C)OC16CCC(CC(=O)C)CN6,"InChI=1/C31H47NO4/c1-18(33)14-21-9-13-31(32-17-21)19(2)28-27(36-31)16-25-22-15-26(35-20(3)34)24-8-6-7-11-29(24,4)23(22)10-12-30(25,28)5/h19,21-23,25,27-28,32H,6-17H2,1-5H3",C31H47NO4,,,,,,PQDKMIVMXCHOLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.152,225-468-5,4861-85-2,Isopropyl phenylacetate,isopropyl phenylacetate,CC(C)OC(=O)Cc1ccccc1,CC(C)OC(=O)Cc1ccccc1,"InChI=1/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O2,,,,,,SSMBXPJYHMZLOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.154,225-470-6,4863-59-6,"[1R-(1a,2a,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptane","2,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,CC1CCC2CC1C2(C)C,"InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3",C10H18,,,,,,XOKSLPVRUOBDEW-UHFFFAOYSA-N,,,,,,,,,,,
100.012.923,214-214-9,1114-41-6,Muramic acid,2-amino-3-O-(1-carboxyethyl)-2-deoxy-alpha-D-glucopyranose,C[C@@H](O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C(=O)O,C[C@@H](O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C(=O)O,"InChI=1/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)",C9H17NO7,,,,,,MSFSPUZXLOGKHJ-GLPGPYIRSA-N,,,,,,,,,,,
100.012.929,214-221-7,1115-08-8,"3-methylpenta-1,4-diene","3-methylpenta-1,4-diene",CC(C=C)C=C,CC(C=C)C=C,"InChI=1/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3",C6H10,,,,,,IKQUUYYDRTYXAP-UHFFFAOYSA-N,,,,,,,,,,,
100.012.932,214-224-3,1115-47-5,N-acetyl-DL-methionine,N-acetyl-L-methionine,O=C(C)N[C@@H](CCSC)C(O)=O,O=C(C)N[C@@H](CCSC)C(O)=O,"InChI=1/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)",C7H13NO3S,,,,,,XUYPXLNMDZIRQH-LURJTMIESA-N,,,,,,,,,,,
100.012.933,214-225-9,1115-59-9,Ethyl alaninate hydrochloride,ethyl alaninate hydrochloride,Cl.CCOC(=O)C(C)N,Cl.CCOC(=O)C(C)N,"InChI=1/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H",C5H11NO2.ClH,,,,,,JCXLZWMDXJFOOI-UHFFFAOYSA-N,,,,,,,,,,,
100.012.936,214-229-0,1115-69-1,N-acetyl-DL-alanine,N-acetyl-L-alanine,CC(=O)N[C@@H](C)C(O)=O,CC(=O)N[C@@H](C)C(O)=O,"InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)",C5H9NO3,,,,,,KTHDTJVBEPMMGL-VKHMYHEASA-N,,,,,,,,,,,
100.012.946,214-240-0,1116-70-7,Tributylaluminium,tributylaluminum,CCCC[Al](CCCC)CCCC,CCCC[Al](CCCC)CCCC,"InChI=1/3C4H9.Al/c3*1-3-4-2;/h3*1,3-4H2,2H3;/rC12H27Al/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27Al,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12111,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.946,SQBBHCOIQXKPHL-UHFFFAOYSA-N,,,,,,,,,,,
100.012.955,214-250-5,1117-61-9,"(R)-3,7-dimethyloct-6-en-1-ol","3,7-dimethyloct-6-en-1-ol",C[C@@H](CCO)CCC=C(C)C,C[C@@H](CCO)CCC=C(C)C,"InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",C10H20O,,,,,,QMVPMAAFGQKVCJ-SNVBAGLBSA-N,,,,,,,,,,,
100.012.958,214-253-1,1117-79-9,3-chlorooctane,3-chlorooctane,CCCCCC(Cl)CC,CCCCCC(Cl)CC,"InChI=1/C8H17Cl/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3",C8H17Cl,,,,,,FYNJWLOOBINARS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.033,217-635-6,1918-00-9,Dicamba,"3,6-dichloro-2-methoxybenzoic acid",COc1c(Cl)ccc(Cl)c1C(=O)O,COc1c(Cl)ccc(Cl)c1C(=O)O,"InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)",C8H6Cl2O3,,,,,,IWEDIXLBFLAXBO-UHFFFAOYSA-N,Positive/Negative,EA027501|EA027502|EA027503|EA027504|EA027508|EA027509,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD15|HCD30,202.9659|202.9652|202.9667|202.9658|202.9661|202.9657,Eawag,EA027551|EA027555|EA027558|EA027561|EA027564,[M-H]-,CID35|HCD60|HCD15|HCD60|CID35,174.9723:150.9479|154.9468|174.9725|154.9461|174.9723:150.9468,Eawag
100.021.228,223-349-2,3847-57-2,Sodium 4-nitrobenzoate,sodium 4-nitrobenzoate,[Na+].[O-]C(=O)c1ccc(cc1)[N+](=O)[O-],[Na+].[O-]C(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H5NO4.Na/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1",C7H5NO4.Na,,,,,,UFLMJULGUPSTCY-UHFFFAOYSA-M,,,,,,,,,,,
100.021.237,223-359-7,7/11/3852,Methyl 3-methoxyisobutyrate,methyl 3-methoxy-2-methylpropanoate,COCC(C)C(=O)OC,COCC(C)C(=O)OC,"InChI=1/C6H12O3/c1-5(4-8-2)6(7)9-3/h5H,4H2,1-3H3",C6H12O3,,,,,,LYLUAHKXJUQFDG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.238,223-360-2,3853-91-6,Iodopentamethylbenzene,"1-iodo-2,3,4,5,6-pentamethylbenzene",Cc1c(C)c(C)c(I)c(C)c1C,Cc1c(C)c(C)c(I)c(C)c1C,InChI=1/C11H15I/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3,C11H15I,,,,,,UXHBVYKGPRUHKM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.242,223-364-4,3856-25-5,"8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene","8-isopropyl-1,3-dimethyltricyclo[4.4.0.0~2,7~]dec-3-ene",CC(C)C1CCC2(C)C3CC=C(C)C2C13,CC(C)C1CCC2(C)C3CC=C(C)C2C13,"InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3",C15H24,,,,,,VLXDPFLIRFYIME-UHFFFAOYSA-N,,,,,,,,,,,
100.021.244,223-367-0,3857-24-7,1-butylpentyl acetate,1-butylpentyl acetate,CCCCC(CCCC)OC(=O)C,CCCCC(CCCC)OC(=O)C,"InChI=1/C11H22O2/c1-4-6-8-11(9-7-5-2)13-10(3)12/h11H,4-9H2,1-3H3",C11H22O2,,,,,,RBRMZGYRWVMQAS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.247,223-370-7,3858-83-1,p-aminobenzamidine,4-aminobenzenecarboximidamide,NC(=N)c1ccc(N)cc1,NC(=N)c1ccc(N)cc1,"InChI=1/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)",C7H9N3,,,,,,WPANETAWYGDRLL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.249,223-372-8,3859-41-4,"Cyclopentane-1,3-dione","cyclopentane-1,3-dione",O=C1CCC(=O)C1,O=C1CCC(=O)C1,InChI=1/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,C5H6O2,,,,,,LOGSONSNCYTHPS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.250,217-874-6,1991-78-2,4-chloro-3-phenylalanine,4-chlorophenylalanine,NC(Cc1ccc(Cl)cc1)C(=O)O,NC(Cc1ccc(Cl)cc1)C(=O)O,"InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10ClNO2,,,,,,NIGWMJHCCYYCSF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.251,217-875-1,1992-48-9,Tetrakis(1-methylethyl) orthosilicate,tetraisopropyl orthosilicate,CC(C)O[Si](OC(C)C)(OC(C)C)OC(C)C,CC(C)O[Si](OC(C)C)(OC(C)C)OC(C)C,"InChI=1/C12H28O4Si/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3",C12H28O4Si,,,,,,ZUEKXCXHTXJYAR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.260,217-885-6,1999-45-7,N-DL-alanyl-DL-3-phenylalanine,alanylphenylalanine,CC(N)C(=O)NC(Cc1ccccc1)C(=O)O,CC(N)C(=O)NC(Cc1ccccc1)C(=O)O,"InChI=1/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)",C12H16N2O3,,,,,,OMNVYXHOSHNURL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.262,217-887-7,2000-43-3,"2,2,2-trichloro-1-phenylethanol","2,2,2-trichloro-1-phenylethanol",OC(c1ccccc1)C(Cl)(Cl)Cl,OC(c1ccccc1)C(Cl)(Cl)Cl,"InChI=1/C8H7Cl3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H",C8H7Cl3O,,,,,,ABFRBTDJEKZSRM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.263,217-888-2,2001-23-2,"1-[1,1'-biphenyl]-4-yl-2-phenylethan-1-one",1-biphenyl-4-yl-2-phenylethanone,O=C(Cc1ccccc1)c2ccc(cc2)c3ccccc3,O=C(Cc1ccccc1)c2ccc(cc2)c3ccccc3,"InChI=1/C20H16O/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2",C20H16O,,,,,,FNOSNNPSTLUBPC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.269,217-895-0,2001-94-7,Dipotassium dihydrogen ethylenediaminetetraacetate,"dipotassium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[K+].[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[K+].[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.2K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-4",C10H16N2O8.2K,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10419,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.269,QLBHNVFOQLIYTH-UHFFFAOYSA-J,,,,,,,,,,,
100.019.655,221-619-4,3164-31-6,"Tricopper(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]","tricopper(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]",[Cu+2].[Cu+2].[Cu+2].[O-]C(=O)C([O-])(CC([O-])=O)CC(=O)[O-].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O,[Cu+2].[Cu+2].[Cu+2].[O-]C(=O)C([O-])(CC([O-])=O)CC(=O)[O-].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O,"InChI=1/2C6H7O7.3Cu/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q2*-1;3*+2/p-6",C6H8O7.3/2Cu,,,,,,LIYLDSGTTVRRIP-UHFFFAOYSA-H,,,,,,,,,,,
100.019.658,221-623-6,3164-55-4,Octyl diphenyl phosphite,octyl diphenyl phosphite,CCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,CCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,"InChI=1/C20H27O3P/c1-2-3-4-5-6-13-18-21-24(22-19-14-9-7-10-15-19)23-20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3",C20H27O3P,,,,,,AXRSHKZFNKUGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.615,217-176-1,1763-07-1,Guanidinium phosphate,tris[amino(imino)methanaminium] phosphate,NC(=N)[NH3+].NC(=N)[NH3+].NC(=N)[NH3+].[O-]P(=O)([O-])[O-],NC(=N)[NH3+].NC(=N)[NH3+].NC(=N)[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/3CH5N3.H3O4P/c3*2-1(3)4;1-5(2,3)4/h3*(H5,2,3,4);(H3,1,2,3,4)",CH5N3.xH3O4P,,,,,,CJFCGSLFEZPBNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.616,217-177-7,1763-10-6,S-palmitoylcoenzyme A,9-{5-O-[hydroxy(3-oxo-3-{[2-(palmitoylsulfanyl)ethyl]amino}propoxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,"InChI=1/C31H54N6O12P2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(39)52-19-17-33-24(38)16-18-46-51(44,45)47-20-23-28(49-50(41,42)43)27(40)31(48-23)37-22-36-26-29(32)34-21-35-30(26)37/h21-23,27-28,31,40H,2-20H2,1H3,(H,33,38)(H,44,45)(H2,32,34,35)(H2,41,42,43)",C37H66N7O17P3S,,,,,,XYOMMOALMHQELD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.618,217-179-8,1763-23-1,Heptadecafluorooctane-1-sulphonic acid,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)",C8HF17O3S,,,,,,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,Negative,,,,,,SM877253,[M-H]-,HCD35,498.9313,CASMI_2016
100.015.623,217-185-0,1766-76-3,Bis(pentafluorophenyl)methanol,bis(pentafluorophenyl)methanol,OC(c1c(F)c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F,OC(c1c(F)c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F,"InChI=1/C13H2F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17/h13,24H",C13H2F10O,,,,,,WRLLBTKDSCJOBL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.751,217-326-6,1817-47-6,p-nitrocumene,1-isopropyl-4-nitrobenzene,CC(C)c1ccc(cc1)[N+](=O)[O-],CC(C)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H11NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3",C9H11NO2,,,,,,JXMYUMNAEKRMIP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.752,217-327-1,1817-57-8,4-phenylbut-3-yn-2-one,4-phenylbut-3-yn-2-one,CC(=O)C#Cc1ccccc1,CC(=O)C#Cc1ccccc1,"InChI=1/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3",C10H8O,,,,,,UPEUQDJSUFHFQP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.753,217-328-7,1817-68-1,"2,6-bis(1-phenylethyl)-p-cresol","4-methyl-2,6-bis(1-phenylethyl)phenol",CC(c1ccccc1)c2cc(C)cc(C(C)c3ccccc3)c2O,CC(c1ccccc1)c2cc(C)cc(C(C)c3ccccc3)c2O,"InChI=1/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3",C23H24O,,,,,,QFCGHEBLSUPGPF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.754,217-329-2,1817-73-8,"2-bromo-4,6-dinitroaniline","2-bromo-4,6-dinitroaniline",Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-],Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2",C6H4BrN3O4,,,,,,KWMDHCLJYMVBNS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.758,217-333-4,1818-28-6,"1-(2,4,5-trimethoxyphenyl)ethan-1-one","1-(2,4,5-trimethoxyphenyl)ethanone",COc1cc(OC)c(cc1OC)C(=O)C,COc1cc(OC)c(cc1OC)C(=O)C,"InChI=1/C11H14O4/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-6H,1-4H3",C11H14O4,,,,,,GUTMBHHLVSFJIP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.759,217-335-5,1820-09-3,"(1a,2a,5a)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,"InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3",C10H16O,,,,,,WONIGEXYPVIKFS-HRDYMLBCSA-N,,,,,,,,,,,
100.015.763,217-339-7,1820-81-1,5-chlorouracil,"5-chloropyrimidine-2,4(1H,3H)-dione",ClC1=CNC(=O)NC1=O,ClC1=CNC(=O)NC1=O,"InChI=1/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",C4H3ClN2O2,,,,,,ZFTBZKVVGZNMJR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.764,217-340-2,1821-02-9,2-oxovaleric acid,2-oxopentanoic acid,CCCC(=O)C(=O)O,CCCC(=O)C(=O)O,"InChI=1/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)",C5H8O3,,,,,,KDVFRMMRZOCFLS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.768,217-344-4,1821-36-9,N-cyclohexylaniline,N-cyclohexylaniline,C1CCC(CC1)Nc2ccccc2,C1CCC(CC1)Nc2ccccc2,"InChI=1/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2",C12H17N,,,,,,TXTHKGMZDDTZFD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.769,217-346-5,1821-39-2,2-propylaniline,2-propylaniline,CCCc1ccccc1N,CCCc1ccccc1N,"InChI=1/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3",C9H13N,,,,,,WKURVXXDGMYSDP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.771,217-348-6,1821-99-4,"N,N'-bis(trimethylsilyl)ethylenediamine","N,N'-bis(trimethylsilyl)ethane-1,2-diamine",C[Si](C)(C)NCCN[Si](C)(C)C,C[Si](C)(C)NCCN[Si](C)(C)C,"InChI=1/C8H24N2Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h9-10H,7-8H2,1-6H3",C8H24N2Si2,,,,,,AOZQTURTLIEFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.774,217-351-2,1822-73-7,Phenyl vinyl sulphide,(vinylsulfanyl)benzene,C=CSc1ccccc1,C=CSc1ccccc1,"InChI=1/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2",C8H8S,,,,,,GMPDOIGGGXSAPL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.778,217-355-4,1823-99-0,3-aminocinnamonitrile,3-(3-aminophenyl)acrylonitrile,Nc1cccc(\\C=C\\C#N)c1,Nc1cccc(\C=C\C#N)c1,"InChI=1/C9H8N2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-5,7H,11H2",C9H8N2,,,,,,CVKITALHWMTERN-DUXPYHPUSA-N,,,,,,,,,,,
100.021.221,223-341-9,3845-64-5,Succinimido (S)-2-[(tert-butoxycarbonyl)amino]-4-(methylthio)butyrate,"2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)methioninate",CSCCC(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,CSCCC(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,"InChI=1/C14H22N2O6S/c1-14(2,3)21-13(20)15-9(7-8-23-4)12(19)22-16-10(17)5-6-11(16)18/h9H,5-8H2,1-4H3,(H,15,20)",C14H22N2O6S,,,,,,PCZJWSPKNYONIM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.114,219-924-2,2576-47-8,2-bromoethylammonium bromide,2-bromoethanaminium bromide,[Br-].[NH3+]CCBr,[Br-].[NH3+]CCBr,"InChI=1/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H",C2H6BrN.BrH,,,,,,WJAXXWSZNSFVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.632,221-595-5,3153-97-7,"5-methoxy-m-xylene-4,a,a'-triol","2,4-bis(hydroxymethyl)-6-methoxyphenol",COc1cc(CO)cc(CO)c1O,COc1cc(CO)cc(CO)c1O,"InChI=1/C9H12O4/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-3,10-12H,4-5H2,1H3",C9H12O4,,,,,,NXEJUFMLUUNXKI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.634,221-597-6,3155-71-3,"2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal","2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-enal",CC1(C)CCCC(\\C)=C1\\CC=C(C)C=O,CC1(C)CCCC(\C)=C1\CC=C(C)C=O,"InChI=1/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3",C14H22O,,,,,,FJCQUJKUMKZEMH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.638,221-601-6,3158-85-8,"Dibenz[b,f][1,4]oxazepin-11(10H)-one","dibenzo[b,f][1,4]oxazepin-11(10H)-one",O=C1Nc2ccccc2Oc3ccccc13,O=C1Nc2ccccc2Oc3ccccc13,"InChI=1/C13H9NO2/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)",C13H9NO2,,,,,,OXMPDOZBQGHTGH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.639,221-602-1,3158-91-6,"2-chlorodibenz[b,f][1,4]oxazepin-11(10H)-one","2-chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one",Clc1ccc2Oc3ccccc3NC(=O)c2c1,Clc1ccc2Oc3ccccc3NC(=O)c2c1,"InChI=1/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)",C13H8ClNO2,,,,,,ZAGINEPNYIZLLO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.649,221-613-1,3162-29-6,"1-(1,3-benzodioxol-5-yl)ethan-1-one","1-(1,3-benzodioxol-5-yl)ethanone",CC(=O)c1ccc2OCOc2c1,CC(=O)c1ccc2OCOc2c1,"InChI=1/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3",C9H8O3,,,,,,BMHMKWXYXFBWMI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.650,221-614-7,3162-58-1,Sulphur trioxide--trimethylamine (1:1),"N,N-dimethylmethanamine - oxosulfane dioxide (1:1)",CN(C)C.O=S(=O)=O,CN(C)C.O=S(=O)=O,InChI=1/C3H9N.O3S/c2*1-4(2)3/h1-3H3;,C3H9N.O3S,,,,,,DXASQZJWWGZNSF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.654,221-618-9,3164-29-2,Diammonium tartrate,diammonium tartarate,[NH4+].[NH4+].OC(C(O)C(=O)[O-])C(=O)[O-],[NH4+].[NH4+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3",C4H6O6.2H3N,,,,,,NGPGDYLVALNKEG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.642,218-305-4,2113-58-8,3-nitrobiphenyl,3-nitrobiphenyl,[O-][N+](=O)c1cccc(c1)c2ccccc2,[O-][N+](=O)c1cccc(c1)c2ccccc2,InChI=1/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,C12H9NO2,,,,,,FYRPEHRWMVMHQM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.645,218-309-6,6/11/2114,Allyl carbamate,allyl carbamate,NC(=O)OCC=C,NC(=O)OCC=C,"InChI=1/C4H7NO2/c1-2-3-7-4(5)6/h2H,1,3H2,(H2,5,6)",C4H7NO2,,,,,,OCAAZRFBJBEVPS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.651,218-315-9,2114-39-8,(2-bromopropyl)benzene,(2-bromopropyl)benzene,CC(Br)Cc1ccccc1,CC(Br)Cc1ccccc1,"InChI=1/C9H11Br/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3",C9H11Br,,,,,,NVYOCAOZCSNIHR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.660,218-325-3,2117-69-3,Diphenyllead dichloride,dichloro(diphenyl)plumbane,Cl[Pb](Cl)(c1ccccc1)c2ccccc2,Cl[Pb](Cl)(c1ccccc1)c2ccccc2,"InChI=1/2C6H5.2ClH.Pb/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2/rC12H10Cl2Pb/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10Cl2Pb,,,,,,VCYWRKSVJFJVTB-UHFFFAOYSA-L,,,,,,,,,,,
100.016.662,218-327-4,2119-75-7,"9-fluoro-11ß,17a-dihydroxy-17-(S)-lactoylandrosta-1,4-dien-3-one 17ß-acetate","9-fluoro-17-hydroxy-17-lactoyl-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-11-yl acetate (non-preferred name)",C[C@H](O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](C[C@]12C)OC(=O)C,C[C@H](O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](C[C@]12C)OC(=O)C,"InChI=1/C24H31FO6/c1-13(26)20(29)23(30)10-8-17-18-6-5-15-11-16(28)7-9-21(15,3)24(18,25)19(31-14(2)27)12-22(17,23)4/h7,9,11,13,17-19,26,30H,5-6,8,10,12H2,1-4H3",C24H31FO6,,,,,,XRJCKPFSAIBXCM-QZIXMDIESA-N,,,,,,,,,,,
100.016.667,218-333-7,2122-77-2,"2-(2,4,5-trichlorophenoxy)ethanol","2-(2,4,5-trichlorophenoxy)ethanol",OCCOc1cc(Cl)c(Cl)cc1Cl,OCCOc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H7Cl3O2/c9-5-3-7(11)8(4-6(5)10)13-2-1-12/h3-4,12H,1-2H2",C8H7Cl3O2,,,,,,ATKFMEGWDYLXBP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.668,218-334-2,2123-19-5,Pentacosan-13-one,pentacosan-13-one,CCCCCCCCCCCCC(=O)CCCCCCCCCCCC,CCCCCCCCCCCCC(=O)CCCCCCCCCCCC,"InChI=1/C25H50O/c1-3-5-7-9-11-13-15-17-19-21-23-25(26)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C25H50O,,,,,,VTPOKROHHTWTML-UHFFFAOYSA-N,,,,,,,,,,,
100.012.969,214-265-7,1118-60-1,3-iminobutyronitrile,3-iminobutanenitrile,CC(=N)CC#N,CC(=N)CC#N,"InChI=1/C4H6N2/c1-4(6)2-3-5/h6H,2H2,1H3",C4H6N2,,,,,,CSIFGMFVGDBOQC-UHFFFAOYSA-N,,,,,,,,,,,
100.012.970,214-266-2,1118-61-2,3-aminocrotononitrile,3-aminobut-2-enenitrile,C\\C(=C\\C#N)\\N,C\C(=C\C#N)\N,"InChI=1/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3",C4H6N2,,,,,,DELJOESCKJGFML-RQOWECAXSA-N,,,,,,,,,,,
100.012.972,214-268-3,1118-71-4,"2,2,6,6-tetramethylheptane-3,5-dione","2,2,6,6-tetramethylheptane-3,5-dione",CC(C)(C)C(=O)CC(=O)C(C)(C)C,CC(C)(C)C(=O)CC(=O)C(C)(C)C,"InChI=1/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3",C11H20O2,,,,,,YRAJNWYBUCUFBD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.973,214-269-9,1118-84-9,Allyl acetoacetate,allyl 3-oxobutanoate,CC(=O)CC(=O)OCC=C,CC(=O)CC(=O)OCC=C,"InChI=1/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3",C7H10O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12439,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.973,AXLMPTNTPOWPLT-UHFFFAOYSA-N,,,,,,,,,,,
100.012.976,214-273-0,1119-16-0,4-methylvaleraldehyde,4-methylpentanal,CC(C)CCC=O,CC(C)CCC=O,"InChI=1/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3",C6H12O,,,,,,JGEGJYXHCFUMJF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.188,229-907-1,6829-98-7,Imipraminoxide,"N,N-dimethyl-3-(5-oxido-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propan-1-amine",CN(C)CCCN1(=O)c2ccccc2CCc3ccccc13,CN(C)CCCN1(=O)c2ccccc2CCc3ccccc13,"InChI=1/C19H24N2O/c1-20(2)14-7-15-21(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",C19H24N2O,,,,,,CADMPLPEJHVVFU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.190,229-909-2,6831-82-9,Potassium propan-2-olate,potassium propan-2-olate,[K+].CC(C)[O-],[K+].CC(C)[O-],"InChI=1/C3H7O.K/c1-3(2)4;/h3H,1-2H3;/q-1;+1",C3H8O.K,,,,,,WQKGAJDYBZOFSR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.192,229-911-3,6833-84-7,Nonactin,"2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone",C[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1,C[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1,"InChI=1/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3",C40H64O12,,,,,,RMIXHJPMNBXMBU-QIIXEHPYSA-N,,,,,,,,,,,
100.027.195,229-915-5,6835-99-0,"Methyl (3a,14a,16a)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate","methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate",CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@@](O)(C2)C(=O)OC,CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@@](O)(C2)C(=O)OC,"InChI=1/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3",C21H26N2O3,,,,,,RXPRRQLKFXBCSJ-HLAWJBBLSA-N,,,,,,,,,,,
100.027.199,229-919-7,6837-24-7,N-cyclohexyl-2-pyrrolidone,1-cyclohexylpyrrolidin-2-one,O=C1CCCN1C2CCCCC2,O=C1CCCN1C2CCCCC2,"InChI=1/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2",C10H17NO,,,,,,PZYDAVFRVJXFHS-UHFFFAOYSA-N,,,,,,,,,,,
100.027.203,229-923-9,6837-94-1,"4-ethoxy-5-hydroxynaphthalene-2,7-disulphonic acid","4-ethoxy-5-hydroxynaphthalene-2,7-disulfonic acid",CCOc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,CCOc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C12H12O8S2/c1-2-20-11-6-9(22(17,18)19)4-7-3-8(21(14,15)16)5-10(13)12(7)11/h3-6,13H,2H2,1H3,(H,14,15,16)(H,17,18,19)",C12H12O8S2,,,,,,LCGZDSZETRKQQN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.205,229-926-5,3/01/6838,"3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)naphthalene-1,5-disulphonic acid","3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-1,5-disulfonic acid",CC1=NN(C(=O)C1)c2cc(c3cccc(c3c2)S(=O)(=O)O)S(=O)(=O)O,CC1=NN(C(=O)C1)c2cc(c3cccc(c3c2)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C14H12N2O7S2/c1-8-5-14(17)16(15-8)9-6-11-10(13(7-9)25(21,22)23)3-2-4-12(11)24(18,19)20/h2-4,6-7H,5H2,1H3,(H,18,19,20)(H,21,22,23)",C14H12N2O7S2,,,,,,ZDBIDERWCKMIAU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.212,229-933-3,6846-35-1,"5-amino-3H-1,2,4-dithiazole-3-thione","5-amino-3H-1,2,4-dithiazole-3-thione",NC1=NC(=S)SS1,NC1=NC(=S)SS1,"InChI=1/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)",C2H2N2S3,,,,,,YWZHEXZIISFIDA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.215,229-937-5,6848-16-4,"6-chloro-1,2-dihydro-2,2,4-trimethylquinoline","6-chloro-2,2,4-trimethyl-1,2-dihydroquinoline",CC1=CC(C)(C)Nc2ccc(Cl)cc12,CC1=CC(C)(C)Nc2ccc(Cl)cc12,"InChI=1/C12H14ClN/c1-8-7-12(2,3)14-11-5-4-9(13)6-10(8)11/h4-7,14H,1-3H3",C12H14ClN,,,,,,XQGISKQNLSPHNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.217,229-939-6,6850-28-8,"[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium acetate","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium acetate",CC(=O)[O-].[NH3+]C(CO)(CO)CO,CC(=O)[O-].[NH3+]C(CO)(CO)CO,"InChI=1/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)",C4H11NO3.C2H4O2,,,,,,PIEPQKCYPFFYMG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.659,221-624-1,3164-60-1,Bis(2-ethylhexyl) phenyl phosphite,bis(2-ethylhexyl) phenyl phosphite,CCCCC(CC)COP(OCC(CC)CCCC)Oc1ccccc1,CCCCC(CC)COP(OCC(CC)CCCC)Oc1ccccc1,"InChI=1/C22H39O3P/c1-5-9-14-20(7-3)18-23-26(25-22-16-12-11-13-17-22)24-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3",C22H39O3P,,,,,,AAQUCXJJDQZZOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.664,221-629-9,3167-31-5,"N,N'-bis(1,3-dimethylbutylidene)hexane-1,6-diamine","N,N'-bis(1,3-dimethylbutylidene)hexane-1,6-diamine",CC(C)CC(C)=NCCCCCCN=C(C)CC(C)C,CC(C)CC(C)=NCCCCCCN=C(C)CC(C)C,"InChI=1/C18H36N2/c1-15(2)13-17(5)19-11-9-7-8-10-12-20-18(6)14-16(3)4/h15-16H,7-14H2,1-6H3",C18H36N2,,,,,,DNELCOAAXRBKCM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.666,221-632-5,3167-63-3,Diethyl (chloromethyl)phosphonate,diethyl (chloromethyl)phosphonate,CCOP(=O)(CCl)OCC,CCOP(=O)(CCl)OCC,"InChI=1/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3",C5H12ClO3P,,,,,,MZBIWKMCTWJLPT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.667,221-633-0,3168-95-4,Sodium 2-[[[4-(anilino)phenyl]imino]methyl]benzenesulphonate,sodium 2-{[(4-anilinophenyl)imino]methyl}benzenesulfonate,[Na+].[O-]S(=O)(=O)c3ccccc3C=Nc1ccc(cc1)Nc2ccccc2,[Na+].[O-]S(=O)(=O)c3ccccc3C=Nc1ccc(cc1)Nc2ccccc2,"InChI=1/C19H16N2O3S.Na/c22-25(23,24)19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)21-17-7-2-1-3-8-17;/h1-14,21H,(H,22,23,24);/q;+1/p-1",C19H16N2O3S.Na,,,,,,ZXTPVTZFEOEZGG-UHFFFAOYSA-M,,,,,,,,,,,
100.019.677,221-644-0,3174-30-9,2-(dichloromethyl)benzimidazole hydrochloride,2-(dichloromethyl)-1H-benzimidazole hydrochloride,Cl.ClC(Cl)c1nc2ccccc2[nH]1,Cl.ClC(Cl)c1nc2ccccc2[nH]1,"InChI=1/C8H6Cl2N2.ClH/c9-7(10)8-11-5-3-1-2-4-6(5)12-8;/h1-4,7H,(H,11,12);1H",C8H6Cl2N2.ClH,,,,,,HRGXJWVANOUOIN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.691,221-659-2,3179-63-3,3-dimethylaminopropan-1-ol,3-(dimethylamino)propan-1-ol,CN(C)CCCO,CN(C)CCCO,"InChI=1/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3",C5H13NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12109,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.691,PYSGFFTXMUWEOT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.693,221-661-3,3179-80-4,N-[3-(dimethylamino)propyl]dodecanamide,N-[3-(dimethylamino)propyl]dodecanamide,CCCCCCCCCCCC(=O)NCCCN(C)C,CCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3/h4-16H2,1-3H3,(H,18,20)",C17H36N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10713,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.693,TWMFGCHRALXDAR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.696,221-665-5,3179-89-3,"2,2'-[[3-methyl-4-[(4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl}imino)diethanol",[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)cc2,"InChI=1/C17H20N4O4/c1-13-12-16(20(8-10-22)9-11-23)6-7-17(13)19-18-14-2-4-15(5-3-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3",C17H20N4O4,,,,,,ADCWDMYESTYBBN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.699,221-668-1,3180-81-2,2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethanol,2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethanol,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCO)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCO)[N+]([O-])=O,"InChI=1/C16H17ClN4O3/c1-2-20(9-10-22)13-5-3-12(4-6-13)18-19-16-8-7-14(21(23)24)11-15(16)17/h3-8,11,22H,2,9-10H2,1H3",C16H17ClN4O3,,,,,,FEJPWLNPOFOBSP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.117,225-429-2,4844-38-6,Diethyl dodecylphosphonate,diethyl dodecylphosphonate,CCCCCCCCCCCCP(=O)(OCC)OCC,CCCCCCCCCCCCP(=O)(OCC)OCC,"InChI=1/C16H35O3P/c1-4-7-8-9-10-11-12-13-14-15-16-20(17,18-5-2)19-6-3/h4-16H2,1-3H3",C16H35O3P,,,,,,LRIWHHSVZCKNJL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.122,225-435-5,4846-23-5,"2-hydroxy-1,3,2-benzodioxaphosphole 2-oxide","1,3,2-benzodioxaphosphol-2-ol 2-oxide",OP1(=O)Oc2ccccc2O1,OP1(=O)Oc2ccccc2O1,"InChI=1/C6H5O4P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H,(H,7,8)",C6H5O4P,,,,,,OWBLFTIPFLNLBN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.123,225-436-0,4846-34-8,"4,4'-[3-[(1-ethyl-4(1H)-quinolylidene)ethylidene]prop-1-ene-1,3-diyl]bis[1-ethylquinolinium] diiodide","4,4'-[5-(1-ethylquinolin-4(1H)-ylidene)penta-1,3-diene-1,3-diyl]bis(1-ethylquinolinium) diiodide",[I-].[I-].CC[n+]2ccc(c1ccccc12)C(C=Cc4cc[n+](CC)c3ccccc34)=CC=C6/C=C\\N(CC)c5ccccc56,[I-].[I-].CC[n+]2ccc(c1ccccc12)C(C=Cc4cc[n+](CC)c3ccccc34)=CC=C6/C=C\N(CC)c5ccccc56,"InChI=1/C38H37N3.2HI/c1-4-39-26-23-30(33-13-7-10-16-36(33)39)21-19-29(32-25-28-41(6-3)38-18-12-9-15-35(32)38)20-22-31-24-27-40(5-2)37-17-11-8-14-34(31)37;;/h7-28H,4-6H2,1-3H3;2*1H/q+2;;/p-2",C38H37N3.2I,,,,,,RJOBRLLSEIIUFB-UHFFFAOYSA-L,,,,,,,,,,,
100.023.250,225-575-7,4935-82-4,"5-phenyl-2,3,7,8-tetrakis(phenylamino)phenazinium chloride","2,3,7,8-tetraanilino-5-phenylphenazin-5-ium chloride",[Cl-].N(c1ccccc1)c2cc3nc4cc(Nc5ccccc5)c(Nc6ccccc6)cc4[n+](c7ccccc7)c3cc2Nc8ccccc8,[Cl-].N(c1ccccc1)c2cc3nc4cc(Nc5ccccc5)c(Nc6ccccc6)cc4[n+](c7ccccc7)c3cc2Nc8ccccc8,"InChI=1/C42H32N6.ClH/c1-6-16-30(17-7-1)43-35-26-39-41(28-37(35)45-32-20-10-3-11-21-32)48(34-24-14-5-15-25-34)42-29-38(46-33-22-12-4-13-23-33)36(27-40(42)47-39)44-31-18-8-2-9-19-31;/h1-29H,(H3,43,44,45,46,47);1H",C42H33N6.Cl,,,,,,PFMDTQAXUAHESB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.251,225-576-2,4936-47-4,Nifuratel,"5-[(methylsulfanyl)methyl]-3-{[(5-nitro-2-furyl)methylene]amino}-1,3-oxazolidin-2-one",CSCC2CN(N=Cc1ccc(o1)[N+]([O-])=O)C(=O)O2,CSCC2CN(N=Cc1ccc(o1)[N+]([O-])=O)C(=O)O2,"InChI=1/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3",C10H11N3O5S,,,,,,SRQKTCXJCCHINN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.780,217-358-0,1824-58-4,Ethiazide,"6-chloro-3-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",CCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N,CCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N,"InChI=1/C9H12ClN3O4S2/c1-2-9-12-6-3-5(10)7(18(11,14)15)4-8(6)19(16,17)13-9/h3-4,9,12-13H,2H2,1H3,(H2,11,14,15)",C9H12ClN3O4S2,,,,,,VXLCNTLWWUDBSO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.785,217-363-8,1825-19-0,Pentachloro(methylthio)benzene,"1,2,3,4,5-pentachloro-6-(methylsulfanyl)benzene",CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3,C7H3Cl5S,,,,,,LGZZJTIUEJNNKV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.786,217-364-3,1825-30-5,"1,5-dichloronaphthalene","1,5-dichloronaphthalene",Clc1cccc2c(Cl)cccc12,Clc1cccc2c(Cl)cccc12,InChI=1/C10H6Cl2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,C10H6Cl2,,,,,,ZBQZXTBAGBTUAD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.408,221-348-1,3073-77-6,5-nitropyrimidin-2-amine,5-nitropyrimidin-2-amine,Nc1ncc(cn1)[N+](=O)[O-],Nc1ncc(cn1)[N+](=O)[O-],"InChI=1/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7)",C4H4N4O2,,,,,,SSHFCFRJYJIJDV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.409,221-349-7,3073-87-8,"1,4-bis(4-methyl-5-phenyloxazol-2-yl)benzene","2,2'-(1,4-phenylene)bis(4-methyl-5-phenyl-1,3-oxazole)",Cc1nc(oc1c2ccccc2)c3ccc(cc3)c4oc(c(C)n4)c5ccccc5,Cc1nc(oc1c2ccccc2)c3ccc(cc3)c4oc(c(C)n4)c5ccccc5,"InChI=1/C26H20N2O2/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20/h3-16H,1-2H3",C26H20N2O2,,,,,,VLDFXDUAENINOO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.410,221-350-2,3074-81-5,Dibutyl chloromethylphosphonate,dibutyl (chloromethyl)phosphonate,CCCCOP(=O)(CCl)OCCCC,CCCCOP(=O)(CCl)OCCCC,"InChI=1/C9H20ClO3P/c1-3-5-7-12-14(11,9-10)13-8-6-4-2/h3-9H2,1-2H3",C9H20ClO3P,,,,,,LSGPZYLAHPLSBS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.412,221-352-3,9/05/3076,Sodium 2-(cyclohexylamino)ethanesulphonate,sodium 2-(cyclohexylamino)ethanesulfonate,[Na+].[O-]S(=O)(=O)CCNC1CCCCC1,[Na+].[O-]S(=O)(=O)CCNC1CCCCC1,"InChI=1/C8H17NO3S.Na/c10-13(11,12)7-6-9-8-4-2-1-3-5-8;/h8-9H,1-7H2,(H,10,11,12);/q;+1/p-1",C8H17NO3S.Na,,,,,,TXWKJOVDGFRVOG-UHFFFAOYSA-M,,,,,,,,,,,
100.019.425,221-367-5,3077-85-8,3-nitrocarbazole,3-nitro-9H-carbazole,[O-][N+](=O)c1ccc2[nH]c3ccccc3c2c1,[O-][N+](=O)c1ccc2[nH]c3ccccc3c2c1,"InChI=1/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H",C12H8N2O2,,,,,,ZYNHZTIMNJKVLK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.435,221-378-5,3081-24-1,Ethyl 3-phenyl-L-alaninate,ethyl L-phenylalaninate,CCOC(=O)[C@@H](N)Cc1ccccc1,CCOC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C11H15NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3",C11H15NO2,,,,,,CJGXMNONHNZEQQ-JTQLQIEISA-N,,,,,,,,,,,
100.019.440,221-383-2,2/11/3083,"N-[2-(dimethylamino)ethyl]-N'-[2-[[2-(dimethylamino)ethyl]methylamino]ethyl]-N,N'-dimethylethylenediamine","N-[2-(dimethylamino)ethyl]-N'-(2-{[2-(dimethylamino)ethyl](methyl)amino}ethyl)-N,N'-dimethylethane-1,2-diamine",CN(C)CCN(C)CCN(C)CCN(C)CCN(C)C,CN(C)CCN(C)CCN(C)CCN(C)CCN(C)C,"InChI=1/C15H37N5/c1-16(2)8-10-18(5)12-14-20(7)15-13-19(6)11-9-17(3)4/h8-15H2,1-7H3",C15H37N5,,,,,,SZYLDXKMZNIHDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.442,221-385-3,3083-25-8,"(2,2,2-trichloroethyl)oxirane","2-(2,2,2-trichloroethyl)oxirane",ClC(Cl)(Cl)CC1CO1,ClC(Cl)(Cl)CC1CO1,"InChI=1/C4H5Cl3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2",C4H5Cl3O,,,,,,CYYDNXCYDWWSPS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.446,221-390-0,3084-33-1,Hexadecyltrimethylammonium nitrite,"N,N,N-trimethylhexadecan-1-aminium nitrite",CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]N=O,CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]N=O,"InChI=1/C19H42N.HNO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;2-1-3/h5-19H2,1-4H3;(H,2,3)/q+1;/p-1",C19H42N.NO2,,,,,,KIPYNWHZUMMNGC-UHFFFAOYSA-M,,,,,,,,,,,
100.019.447,221-391-6,3084-40-0,Diethyl (hydroxymethyl)phosphonate,diethyl (hydroxymethyl)phosphonate,CCOP(=O)(CO)OCC,CCOP(=O)(CO)OCC,"InChI=1/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3",C5H13O4P,,,,,,RWIGWWBLTJLKMK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.452,221-396-3,3085-36-7,Isobutoxymethanol,isobutoxymethanol,CC(C)COCO,CC(C)COCO,"InChI=1/C5H12O2/c1-5(2)3-7-4-6/h5-6H,3-4H2,1-2H3",C5H12O2,,,,,,QONBKISCDWCHKF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.453,221-397-9,3085-42-5,Bis(p-chlorophenyl)sulphoxide,"1,1'-sulfinylbis(4-chlorobenzene)",Clc1ccc(cc1)S(=O)c2ccc(Cl)cc2,Clc1ccc(cc1)S(=O)c2ccc(Cl)cc2,InChI=1/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H,C12H8Cl2OS,,,,,,KJGYFISADIZFEL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.400,218-038-3,2040-52-0,Thorium dioxalate,thorium dioxalate,[Th+2].[Th+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Th+2].[Th+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/2C2H2O4.2Th/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;2*+2/p-4",C4O8Th,,,,,,LBUCJDRUZIWFNA-UHFFFAOYSA-J,,,,,,,,,,,
100.016.403,218-042-5,2040-96-2,Propylcyclopentane,propylcyclopentane,CCCC1CCCC1,CCCC1CCCC1,"InChI=1/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3",C8H16,,,,,,KDIAMAVWIJYWHN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.672,218-338-4,2123-92-4,tert-butyl peroxycinnamate,tert-butyl 3-phenylprop-2-eneperoxoate,CC(C)(C)OOC(=O)C=Cc1ccccc1,CC(C)(C)OOC(=O)C=Cc1ccccc1,"InChI=1/C13H16O3/c1-13(2,3)16-15-12(14)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3",C13H16O3,,,,,,BPCBXWVRESTYBG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.675,218-342-6,7/01/2127,Clorexolone,6-chloro-2-cyclohexyl-3-oxoisoindoline-5-sulfonamide,NS(=O)(=O)c1cc2C(=O)N(Cc2cc1Cl)C3CCCCC3,NS(=O)(=O)c1cc2C(=O)N(Cc2cc1Cl)C3CCCCC3,"InChI=1/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)",C14H17ClN2O3S,,,,,,VPMWFZKOWULPGT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.677,218-344-7,8/10/2127,"2,2'-dithiobis(5-nitropyridine)","2,2'-disulfanediylbis(5-nitropyridine)",[O-][N+](=O)c1ccc(SSc2ccc(cn2)[N+](=O)[O-])nc1,[O-][N+](=O)c1ccc(SSc2ccc(cn2)[N+](=O)[O-])nc1,InChI=1/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H,C10H6N4O4S2,,,,,,ROUFCTKIILEETD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.681,218-348-9,2130-56-5,"Benzidine-3,3'-dicarboxylic acid","4,4'-diaminobiphenyl-3,3'-dicarboxylic acid",Nc1ccc(cc1C(=O)O)c2ccc(N)c(c2)C(=O)O,Nc1ccc(cc1C(=O)O)c2ccc(N)c(c2)C(=O)O,"InChI=1/C14H12N2O4/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)",C14H12N2O4,,,,,,IIQLVLWFQUUZII-UHFFFAOYSA-N,,,,,,,,,,,
100.016.682,218-349-4,2130-96-3,O-benzyl-N-[(tert-butoxy)carbonyl]-L-tyrosine,O-benzyl-N-(tert-butoxycarbonyl)-L-tyrosine,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O,"InChI=1/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)",C21H25NO5,,,,,,ZAVSPTOJKOFMTA-SFHVURJKSA-N,,,,,,,,,,,
100.016.685,218-353-6,2131-27-3,Didecyl azelate,didecyl azelaate,CCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCC,"InChI=1/C29H56O4/c1-3-5-7-9-11-13-18-22-26-32-28(30)24-20-16-15-17-21-25-29(31)33-27-23-19-14-12-10-8-6-4-2/h3-27H2,1-2H3",C29H56O4,,,,,,WMDDQWGAOSOSAB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.001,217-600-5,1901-38-8,"2,2,3-trimethylcyclopent-3-ene-1-ethanol","2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol",CC1=CCC(CCO)C1(C)C,CC1=CCC(CCO)C1(C)C,"InChI=1/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3",C10H18O,,,,,,NPGPPCSBEMHHCR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.002,217-601-0,1901-39-9,"2-(2,2,3-trimethyl-4-oxocyclopentyl)ethyl acetate","2-(2,2,3-trimethyl-4-oxocyclopentyl)ethyl acetate",CC1C(=O)CC(CCOC(=O)C)C1(C)C,CC1C(=O)CC(CCOC(=O)C)C1(C)C,"InChI=1/C12H20O3/c1-8-11(14)7-10(12(8,3)4)5-6-15-9(2)13/h8,10H,5-7H2,1-4H3",C12H20O3,,,,,,ODBRWRPMELYFSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.007,217-606-8,1906-57-6,Potassium ethyl oxalate,potassium ethoxy(oxo)acetate,[K+].CCOC(=O)C(=O)[O-],[K+].CCOC(=O)C(=O)[O-],"InChI=1/C4H6O4.K/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",C4H6O4.K,,,,,,RLPQQBNSTHRHEK-UHFFFAOYSA-M,,,,,,,,,,,
100.016.009,217-608-9,1906-82-7,Ethyl N-acetylglycinate,ethyl N-acetylglycinate,CCOC(=O)CNC(=O)C,CCOC(=O)CNC(=O)C,"InChI=1/C6H11NO3/c1-3-10-6(9)4-7-5(2)8/h3-4H2,1-2H3,(H,7,8)",C6H11NO3,,,,,,AMBDTBHJFINMSE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.011,217-611-5,1907-33-1,Lithium 2-methylpropan-2-olate,lithium 2-methylpropan-2-olate,[Li+].CC(C)(C)[O-],[Li+].CC(C)(C)[O-],"InChI=1/C4H9O.Li/c1-4(2,3)5;/h1-3H3;/q-1;+1",C4H10O.Li,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18552,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.011,LZWQNOHZMQIFBX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.012,217-612-0,1907-65-9,N-butyltoluene-4-sulphonamide,N-butyl-4-methylbenzenesulfonamide,CCCCNS(=O)(=O)c1ccc(C)cc1,CCCCNS(=O)(=O)c1ccc(C)cc1,"InChI=1/C11H17NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3",C11H17NO2S,,,,,,RQUXYBHREKXNKT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.016,217-616-2,1910-68-5,Metisazone,"1-methyl-1H-indole-2,3-dione 3-thiosemicarbazone",NC(=S)NN=C2c1ccccc1N(C)C2=O,NC(=S)NN=C2c1ccccc1N(C)C2=O,"InChI=1/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5H,1H3,(H3,11,13,16)",C10H10N4OS,,,,,,DLGSOJOOYHWROO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.018,217-618-3,1912-26-1,Trietazine,"6-chloro-N,N,N'-triethyl-1,3,5-triazine-2,4-diamine",CCNc1nc(Cl)nc(n1)N(CC)CC,CCNc1nc(Cl)nc(n1)N(CC)CC,"InChI=1/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)",C9H16ClN5,,,,,,HFBWPRKWDIRYNX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.022,217-623-0,1912-54-5,6-nitrocholest-5-en-3-ß-yl acetate,6-nitrocholest-5-en-3-yl acetate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)[N+](=O)[O-],CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)[N+](=O)[O-],"InChI=1/C29H47NO4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30(32)33)26-16-21(34-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3",C29H47NO4,,,,,,HBNDZPJHNAAEAB-XGRWYXQASA-N,,,,,,,,,,,
100.016.035,217-637-7,1918-13-4,Chlorthiamid,"2,6-dichlorobenzenecarbothioamide",NC(=S)c1c(Cl)cccc1Cl,NC(=S)c1c(Cl)cccc1Cl,"InChI=1/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)",C7H5Cl2NS,,,,,,KGKGSIUWJCAFPX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.036,217-638-2,1918-16-7,Propachlor,2-chloro-N-isopropyl-N-phenylacetamide,CC(C)N(C(=O)CCl)c1ccccc1,CC(C)N(C(=O)CCl)c1ccccc1,"InChI=1/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14ClNO,,,,,,MFOUDYKPLGXPGO-UHFFFAOYSA-N,Positive,AU362201|AU362202|AU362203|AU362204;SM839705;EA070801|EA070802|EA070803|EA070804|EA070805|EA070806|EA070807|EA070808|EA070809|EA070810|EA070811|EA070812|EA070813|EA070814,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,212.0833:170.0355:214.0802|170.0355:172.033:171.039|170.0355:172.033:152.0249|152.0249:170.0355:172.033;170.0367:212.0837:94.0651;170.037:152.0261:212.0847|212.0838:170.0372:152.025|170.0369:212.084:152.0262|170.0368:152.0261:212.0831|170.0367:94.0651:106.0651|94.0652:106.0652:170.0368|94.0651:106.0651:77.0385|212.0837:170.0367:152.0261|170.0368:212.0837:152.0262|170.0367:212.0837:152.0261|170.0367:94.0651:106.0651|94.0651:106.0651:170.0366|94.0652:106.0652:77.0386|170.0369:152.0262:212.0836,Athens_Univ;CASMI_2016;Eawag,,,,,
100.027.220,229-942-2,6850-63-1,"2,6-dimethylcyclohexylamine","2,6-dimethylcyclohexanamine",CC1CCCC(C)C1N,CC1CCCC(C)C1N,"InChI=1/C8H17N/c1-6-4-3-5-7(2)8(6)9/h6-8H,3-5,9H2,1-2H3",C8H17N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1795,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.220,KSGAAWJLYHYMLT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.225,229-948-5,6852-54-6,Benzylidene(ethyl)amine,N-benzylideneethanamine,CCN=Cc1ccccc1,CCN=Cc1ccccc1,"InChI=1/C9H11N/c1-2-10-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3",C9H11N,,,,,,IIVYBNBDIDWPQV-UHFFFAOYSA-N,,,,,,,,,,,
100.027.232,229-955-3,6858-49-7,"2-[4-(2,2-dicyanovinyl)-N-ethyl-3-methylaniline]ethyl carbanilate","2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}ethyl phenylcarbamate",CCN(CCOC(=O)Nc1ccccc1)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCOC(=O)Nc1ccccc1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C22H22N4O2/c1-3-26(11-12-28-22(27)25-20-7-5-4-6-8-20)21-10-9-19(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27)",C22H22N4O2,,,,,,KVQZMLBWGHLHTR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.746,216-220-7,1529-65-3,"1,1,3,5,5-pentamethyl-1,3,5-trivinyltrisiloxane","1,1,3,5,5-pentamethyl-1,3,5-trivinyltrisiloxane",C[Si](C)(O[Si](C)(O[Si](C)(C)C=C)C=C)C=C,C[Si](C)(O[Si](C)(O[Si](C)(C)C=C)C=C)C=C,"InChI=1/C11H24O2Si3/c1-9-14(4,5)12-16(8,11-3)13-15(6,7)10-2/h9-11H,1-3H2,4-8H3",C11H24O2Si3,,,,,,OFVIRRZRPPRVFE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.748,216-222-8,1530-03-6,"1,1-diphenylpropane","1,1'-propane-1,1-diyldibenzene",CCC(c1ccccc1)c2ccccc2,CCC(c1ccccc1)c2ccccc2,"InChI=1/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3",C15H16,,,,,,BUZMJVBOGDBMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.156,225-472-7,4866-00-6,4-methyloxazole-5-carboxamide,"4-methyl-1,3-oxazole-5-carboxamide",Cc1ncoc1C(=O)N,Cc1ncoc1C(=O)N,"InChI=1/C5H6N2O2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3,(H2,6,8)",C5H6N2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6043,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.156,HBKBZJZRIWAICY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.158,225-474-8,1/02/4867,4-[(2-hydroxyphenyl)azo]resorcinol,"4-[(2-hydroxyphenyl)diazenyl]benzene-1,3-diol",Oc2cc(O)ccc2N=Nc1ccccc1O,Oc2cc(O)ccc2N=Nc1ccccc1O,"InChI=1/C12H10N2O3/c15-8-5-6-10(12(17)7-8)14-13-9-3-1-2-4-11(9)16/h1-7,15-17H",C12H10N2O3,,,,,,UYZDJWAAXREYDP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.162,225-479-5,4872-28-0,a-hydroxypyridine-4-methanesulphonic acid,hydroxy(pyridin-4-yl)methanesulfonic acid,OC(c1ccncc1)S(=O)(=O)O,OC(c1ccncc1)S(=O)(=O)O,"InChI=1/C6H7NO4S/c8-6(12(9,10)11)5-1-3-7-4-2-5/h1-4,6,8H,(H,9,10,11)",C6H7NO4S,,,,,,LQGYKYJLWSWUAR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.165,225-482-1,4874-36-6,5-(mercaptomethyl)uracil,"5-(sulfanylmethyl)pyrimidine-2,4(1H,3H)-dione",SCC1=CNC(=O)NC1=O,SCC1=CNC(=O)NC1=O,"InChI=1/C5H6N2O2S/c8-4-3(2-10)1-6-5(9)7-4/h1,10H,2H2,(H2,6,7,8,9)",C5H6N2O2S,,,,,,UJHZBYGCKHWQJT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.168,225-485-8,4876-56-6,1-benzyl-4-(dimethylammonio)piperidinium dichloride,1-benzyl-4-(dimethylammonio)piperidinium dichloride,[Cl-].[Cl-].C[NH+](C)C1CC[NH+](Cc2ccccc2)CC1,[Cl-].[Cl-].C[NH+](C)C1CC[NH+](Cc2ccccc2)CC1,"InChI=1/C14H22N2.2ClH/c1-15(2)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13;;/h3-7,14H,8-12H2,1-2H3;2*1H",C14H22N2.2ClH,,,,,,ZBYVFAJAGLLMEO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.179,225-497-3,4884-68-8,Hydrastinine hydrochloride,"6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ol hydrochloride",Cl.CN1CCc2cc3OCOc3cc2C1O,Cl.CN1CCc2cc3OCOc3cc2C1O,"InChI=1/C11H13NO3.ClH/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13;/h4-5,11,13H,2-3,6H2,1H3;1H",C11H13NO3.ClH,,,,,,DLNQCQJCIITVHC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.186,225-505-5,4887-98-3,1-chloroanthracen-9(10H)-one,1-chloroanthracen-9(10H)-one,Clc1cccc2Cc3ccccc3C(=O)c12,Clc1cccc2Cc3ccccc3C(=O)c12,"InChI=1/C14H9ClO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7H,8H2",C14H9ClO,,,,,,NGGBYCPITQNVGN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.187,225-506-0,4887-99-4,2-chloroanthrone,3-chloroanthracen-9(10H)-one,Clc1ccc2C(=O)c3ccccc3Cc2c1,Clc1ccc2C(=O)c3ccccc3Cc2c1,"InChI=1/C14H9ClO/c15-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14(13)16/h1-6,8H,7H2",C14H9ClO,,,,,,MVPQIDZRNBWJEX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.190,225-509-7,4889-45-6,Trioctadecyl phosphate,trioctadecyl phosphate,CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1/C54H111O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-59(55,57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3",C54H111O4P,,,,,,FDGZUBKNYGBWHI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.191,225-510-2,4889-70-7,2-[(4-chlorophenyl)methyl]benzoic acid,2-(4-chlorobenzyl)benzoic acid,OC(=O)c1ccccc1Cc2ccc(Cl)cc2,OC(=O)c1ccccc1Cc2ccc(Cl)cc2,"InChI=1/C14H11ClO2/c15-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(16)17/h1-8H,9H2,(H,16,17)",C14H11ClO2,,,,,,GSOKCVIYGKIMJK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.195,225-514-4,4892-31-3,5-tert-butyl-m-cresol,3-tert-butyl-5-methylphenol,Cc1cc(O)cc(c1)C(C)(C)C,Cc1cc(O)cc(c1)C(C)(C)C,"InChI=1/C11H16O/c1-8-5-9(11(2,3)4)7-10(12)6-8/h5-7,12H,1-4H3",C11H16O,,,,,,JOISCPZYGOECQA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.196,225-516-5,4894-61-5,(E)-1-chlorobut-2-ene,1-chlorobut-2-ene,C\\C=C\\CCl,C\C=C\CCl,"InChI=1/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3",C4H7Cl,,,,,,YTKRILODNOEEPX-NSCUHMNNSA-N,,,,,,,,,,,
100.023.255,225-580-4,4938-72-1,"Isobutyl 2,4,5-trichlorophenoxyacetate","isobutyl (2,4,5-trichlorophenoxy)acetate",CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C12H13Cl3O3/c1-7(2)5-18-12(16)6-17-11-4-9(14)8(13)3-10(11)15/h3-4,7H,5-6H2,1-2H3",C12H13Cl3O3,,,,,,KIIVFWSIMRWBKW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.257,225-583-0,4940-39-0,4-oxo-4H-chromene-2-carboxylic acid,4-oxo-4H-chromene-2-carboxylic acid,OC(=O)C1=CC(=O)c2ccccc2O1,OC(=O)C1=CC(=O)c2ccccc2O1,"InChI=1/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)",C10H6O4,,,,,,RVMGXWBCQGAWBR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.260,225-586-7,4944-94-9,"2,3-dihydro-1H-benz[e]indene","2,3-dihydro-1H-cyclopenta[a]naphthalene",C1Cc2ccc3ccccc3c2C1,C1Cc2ccc3ccccc3c2C1,"InChI=1/C13H12/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-2,4,6,8-9H,3,5,7H2",C13H12,,,,,,HQYLCMKCKULOEV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.264,225-590-9,4948-15-6,"2,9-bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(3,5-dimethylphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",Cc1cc(C)cc(c1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9cc(C)cc(C)c9,Cc1cc(C)cc(c1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9cc(C)cc(C)c9,"InChI=1/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3",C40H26N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5430,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.264,FDXVHZCFTCIKDD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.265,225-591-4,4948-28-1,"(1a,2a,5a)-2,2,6-trimethylbicyclo[3.1.1]heptan-2-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol",C[C@]1(O)CC[C@H]2C[C@@H]1C2(C)C,C[C@]1(O)CC[C@H]2C[C@@H]1C2(C)C,"InChI=1/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,YYWZKGZIIKPPJZ-XKSSXDPKSA-N,,,,,,,,,,,
100.023.268,225-595-6,4951-40-0,"3-(2,6,6-trimethyl-1-cyclohexen-1-yl)acrylaldehyde","3-(2,6,6-trimethylcyclohex-1-en-1-yl)acrylaldehyde",CC1=C(\\C=C\\C=O)C(C)(C)CCC1,CC1=C(\C=C\C=O)C(C)(C)CCC1,"InChI=1/C12H18O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9H,4,6,8H2,1-3H3",C12H18O,,,,,,FLOPAOUVAMIAJN-FNORWQNLSA-N,,,,,,,,,,,
100.023.270,225-597-7,4954-17-0,"Estra-1,3,5(10)-triene-3,17ß-diol 17-acetate 3-benzoate","17-acetoxyestra-1,3,5(10)-trien-3-yl benzoate",CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)c5ccccc5)ccc4[C@H]3CC[C@]12C,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)c5ccccc5)ccc4[C@H]3CC[C@]12C,"InChI=1/C27H30O4/c1-17(28)30-25-13-12-24-23-10-8-19-16-20(31-26(29)18-6-4-3-5-7-18)9-11-21(19)22(23)14-15-27(24,25)2/h3-7,9,11,16,22-25H,8,10,12-15H2,1-2H3",C27H30O4,,,,,,CRJBVQYNQZNAOQ-RYIFMDQWSA-N,,,,,,,,,,,
100.023.274,225-601-7,4958-56-9,2-methylamino-5-nitrobenzophenone,[2-(methylamino)-5-nitrophenyl](phenyl)methanone,CNc1ccc(cc1C(=O)c2ccccc2)[N+](=O)[O-],CNc1ccc(cc1C(=O)c2ccccc2)[N+](=O)[O-],"InChI=1/C14H12N2O3/c1-15-13-8-7-11(16(18)19)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,15H,1H3",C14H12N2O3,,,,,,KIWZKBUUWJTGPP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.276,225-603-8,4960-81-0,"N,N'-ethylidenebis(2-bromoacetamide)","N,N'-ethane-1,1-diylbis(2-bromoacetamide)",CC(NC(=O)CBr)NC(=O)CBr,CC(NC(=O)CBr)NC(=O)CBr,"InChI=1/C6H10Br2N2O2/c1-4(9-5(11)2-7)10-6(12)3-8/h4H,2-3H2,1H3,(H,9,11)(H,10,12)",C6H10Br2N2O2,,,,,,LXQOYTPYCRHHCB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.278,225-605-9,4963-30-8,"1,4-bis(4-nitrosophenyl)piperazine","1,4-bis(4-nitrosophenyl)piperazine",O=Nc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N=O,O=Nc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N=O,"InChI=1/C16H16N4O2/c21-17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18-22)4-8-16/h1-8H,9-12H2",C16H16N4O2,,,,,,FHBCYOPBRVSSCN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.280,225-608-5,6/09/4968,"16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione","6b-acetyl-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,"InChI=1/C24H34O4/c1-14(25)24-20(27-21(2,3)28-24)13-19-17-7-6-15-12-16(26)8-10-22(15,4)18(17)9-11-23(19,24)5/h12,17-20H,6-11,13H2,1-5H3",C24H34O4,,,,,,LSWBQIAZNGURQV-WTBIUSKOSA-N,,,,,,,,,,,
100.023.282,225-610-6,2/02/4969,Metixene,1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine,CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1,CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1,"InChI=1/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3",C20H23NS,,,,,,MJFJKKXQDNNUJF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.283,225-611-1,4970-39-2,"3a-hydroxy-5ß-pregn-16-ene-11,20-dione 3-acetate","11,20-dioxopregn-16-en-3-yl acetate",CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC=C(C(=O)C)[C@@]4(C)CC(=O)[C@H]23)C1,CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC=C(C(=O)C)[C@@]4(C)CC(=O)[C@H]23)C1,"InChI=1/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3",C23H32O4,,,,,,JAZBMNIJZWDVQJ-VEWLMHDZSA-N,,,,,,,,,,,
100.016.043,217-646-6,4/05/1920,Dodecyldimethylammonium acetate,"N,N-dimethyldodecan-1-aminium acetate",CCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],CCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],"InChI=1/C14H31N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2(3)4/h4-14H2,1-3H3;1H3,(H,3,4)",C14H31N.C2H4O2,,,,,,UBNVDFUEPGQZQS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.409,218-048-8,2043-38-1,Butizide,"6-chloro-3-isobutyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",CC(C)CC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N,CC(C)CC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N,"InChI=1/C11H16ClN3O4S2/c1-6(2)3-11-14-8-4-7(12)9(20(13,16)17)5-10(8)21(18,19)15-11/h4-6,11,14-15H,3H2,1-2H3,(H2,13,16,17)",C11H16ClN3O4S2,,,,,,HGBFRHCDYZJRAO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.412,218-051-4,2043-52-9,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C9H4F15I/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2H2",C9H4F15I,,,,,,QVTHRDRXTVTNEK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.415,218-055-6,2043-55-2,"1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane","1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2",C6H4F9I,,,,,,CXHFIVFPHDGZIS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.418,218-058-2,2044-56-6,Lithium dodecyl sulphate,lithium dodecyl sulfate,[Li+].CCCCCCCCCCCCOS(=O)(=O)[O-],[Li+].CCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",C12H26O4S.Li,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12578,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.418,YFVGRULMIQXYNE-UHFFFAOYSA-M,,,,,,,,,,,
100.016.423,218-064-5,2045-00-3,2-aminophenylarsonic acid,(2-aminophenyl)arsonic acid,Nc1ccccc1[As](=O)(O)O,Nc1ccccc1[As](=O)(O)O,"InChI=1/C6H8AsNO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)",C6H8AsNO3,,,,,,LQCOCUQCZYAYQK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.424,218-065-0,2045-70-7,"2,5-dinitrothiophen-2-amine","2,5-dinitro-2,3-dihydrothiophen-2-amine",NC1(CC=C(S1)[N+](=O)[O-])[N+](=O)[O-],NC1(CC=C(S1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C4H5N3O4S/c5-4(7(10)11)2-1-3(12-4)6(8)9/h1H,2,5H2",C4H3N3O4S,,,,,,QGDALKKAZAZWQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.442,218-084-4,2050-23-9,Diethyl suberate,diethyl suberate,CCOC(=O)CCCCCCC(=O)OCC,CCOC(=O)CCCCCCC(=O)OCC,"InChI=1/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3",C12H22O4,,,,,,PEUGOJXLBSIJQS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.449,218-092-8,2050-60-4,Dibutyl oxalate,dibutyl oxalate,CCCCOC(=O)C(=O)OCCCC,CCCCOC(=O)C(=O)OCCCC,"InChI=1/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3",C10H18O4,,,,,,JKRZOJADNVOXPM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.832,221-814-4,3244-54-0,"3,6-dinitro-9H-carbazole","3,6-dinitro-9H-carbazole",[O-][N+](=O)c1ccc2[nH]c3ccc(cc3c2c1)[N+](=O)[O-],[O-][N+](=O)c1ccc2[nH]c3ccc(cc3c2c1)[N+](=O)[O-],"InChI=1/C12H7N3O4/c16-14(17)7-1-3-11-9(5-7)10-6-8(15(18)19)2-4-12(10)13-11/h1-6,13H",C12H7N3O4,,,,,,IARXLBTXILYASE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.836,221-819-1,3245-38-3,"Methyl 3-a,12-a-dihydroxy-5-ß-cholan-24-oate","methyl 3,12-dihydroxycholan-24-oate",COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,"InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3",C25H42O4,,,,,,ZHUOOEGSSFNTNP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.841,221-824-9,3247-34-5,"Disodium 2,2'-methylenebis[3,4,6-trichlorophenolate]","disodium 2,2'-methylenebis(3,4,6-trichlorophenolate)",[Na+].[Na+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,[Na+].[Na+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,"InChI=1/C13H6Cl6O2.2Na/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;;/h2-3,20-21H,1H2;;/q;2*+1/p-2",C13H6Cl6O2.2Na,,,,,,UQWJZQUQIILWBP-UHFFFAOYSA-L,,,,,,,,,,,
100.019.845,221-829-6,3248-61-1,"1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-12-iodo-2-(trifluoromethyl)dodecane","1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-12-iodo-2-(trifluoromethyl)dodecane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C13F27I/c14-1(11(33,34)35,12(36,37)38)2(15,16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)13(39,40)41",C13F27I,,,,,,UHFPYSDLCDSLDC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.846,221-830-1,3248-63-3,Octacosafluoro-14-iodo-2-(trifluoromethyl)tetradecane,"1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-octacosafluoro-14-iodo-2-(trifluoromethyl)tetradecane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C15F31I/c16-1(13(39,40)41,14(42,43)44)2(17,18)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)15(45,46)47",C15F31I,,,,,,CCRYUWIVRLYGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.847,221-831-7,3248-91-7,"4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride","4,4'-[(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline) hydrochloride",Cl.CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N,Cl.CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N,"InChI=1/C22H23N3.ClH/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;/h4-12,23H,24-25H2,1-3H3;1H",C22H23N3.ClH,,,,,,IPSIPYMEZZPCPY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.223,223-344-5,3846-49-9,"1,3-diethyl-1,3-bis(4-nitrophenyl)urea","1,3-diethyl-1,3-bis(4-nitrophenyl)urea",CCN(C(=O)N(CC)c1ccc(cc1)[N+](=O)[O-])c2ccc(cc2)[N+](=O)[O-],CCN(C(=O)N(CC)c1ccc(cc1)[N+](=O)[O-])c2ccc(cc2)[N+](=O)[O-],"InChI=1/C17H18N4O5/c1-3-18(13-5-9-15(10-6-13)20(23)24)17(22)19(4-2)14-7-11-16(12-8-14)21(25)26/h5-12H,3-4H2,1-2H3",C17H18N4O5,,,,,,PJTRUXHYQYQMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.235,223-357-6,3851-97-6,4-carboxyperoxybutyric acid,4-(carboxyperoxy)butanoic acid,OC(=O)CCCOOC(=O)O,OC(=O)CCCOOC(=O)O,"InChI=1/C5H8O6/c6-4(7)2-1-3-10-11-5(8)9/h1-3H2,(H,6,7)(H,8,9)",C5H8O5,,,,,,JSYWDPMQGNEDPG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.240,223-362-3,3855-32-1,"N-[3-(dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine","N-[3-(dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine",CN(C)CCCN(C)CCCN(C)C,CN(C)CCCN(C)CCCN(C)C,"InChI=1/C11H27N3/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h6-11H2,1-5H3",C11H27N3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5711,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.240,SKCNNQDRNPQEFU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.256,217-880-9,1998-53-4,"1,1'-[(1,1,2,2-tetrafluoroethylene)bis(oxy)]bis[1,2,2-trifluoroethylene]","1',2-[(1,1,2,2-tetrafluoroethane-1,2-diyl)bis(oxy)]bis(trifluoroethene)",FC(=C(F)OC(F)(F)C(F)(F)OC(=C(F)F)F)F,FC(=C(F)OC(F)(F)C(F)(F)OC(=C(F)F)F)F,"InChI=1/C6F10O2/c7-1(8)3(11)17-5(13,14)6(15,16)18-4(12)2(9)10",C6F10O2,,,,,,JZCZUPUWPJOIFG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.257,217-881-4,1999-33-3,N-glycyl-ß-asparagine,glycylasparagine,O=C(NC(CC(N)=O)C(O)=O)CN,O=C(NC(CC(N)=O)C(O)=O)CN,"InChI=1/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)",C6H11N3O4,,,,,,FUESBOMYALLFNI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.267,217-892-4,2001-89-0,Dipotassium aspartate,dipotassium 2-aminosuccinate,[K+].[K+].NC(CC(=O)[O-])C(=O)[O-],[K+].[K+].NC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.2K/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C4H7NO4.2K,,,,,,IKALZAKZWHFNIC-UHFFFAOYSA-L,,,,,,,,,,,
100.016.268,217-894-5,2001-93-6,Dithiouracil,"pyrimidine-2,4(1H,3H)-dithione",S=C1NC=CC(=S)N1,S=C1NC=CC(=S)N1,"InChI=1/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",C4H4N2S2,,,,,,ZEQIWKHCJWRNTH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.662,221-627-8,3165-93-3,4-chloro-o-toluidinium chloride,4-chloro-2-methylanilinium chloride,[Cl-].Cc1cc(Cl)ccc1[NH3+],[Cl-].Cc1cc(Cl)ccc1[NH3+],"InChI=1/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H",C7H8ClN.ClH,,,,,,VKYZDCTWJGBFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.665,221-630-4,3167-49-5,6-aminonicotinic acid,6-aminonicotinic acid,Nc1ccc(cn1)C(=O)O,Nc1ccc(cn1)C(=O)O,"InChI=1/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)",C6H6N2O2,,,,,,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.670,221-636-7,3172-33-6,"Bis([1,1'-biphenyl]-4-yl)diphenylsilane",dibiphenyl-4-yl(diphenyl)silane,c1ccc(cc1)c2ccc(cc2)[Si](c3ccccc3)(c4ccccc4)c5ccc(cc5)c6ccccc6,c1ccc(cc1)c2ccc(cc2)[Si](c3ccccc3)(c4ccccc4)c5ccc(cc5)c6ccccc6,"InChI=1/C36H28Si/c1-5-13-29(14-6-1)31-21-25-35(26-22-31)37(33-17-9-3-10-18-33,34-19-11-4-12-20-34)36-27-23-32(24-28-36)30-15-7-2-8-16-30/h1-28H",C36H28Si,,,,,,HCKMRFVWQPVCFY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.672,221-638-8,3172-52-9,"2,5-dichlorothiophene","2,5-dichlorothiophene",Clc1ccc(Cl)s1,Clc1ccc(Cl)s1,InChI=1/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H,C4H2Cl2S,,,,,,FGYBDASKYMSNCX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.673,221-639-3,3173-53-3,Cyclohexyl isocyanate,isocyanatocyclohexane,O=C=NC1CCCCC1,O=C=NC1CCCCC1,"InChI=1/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2",C7H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11743,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.673,KQWGXHWJMSMDJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.675,221-641-4,3173-72-6,"1,5-naphthylene diisocyanate","1,5-diisocyanatonaphthalene",O=C=Nc1cccc2c(cccc12)N=C=O,O=C=Nc1cccc2c(cccc12)N=C=O,InChI=1/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H,C12H6N2O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10913,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.675,SBJCUZQNHOLYMD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.690,221-658-7,3179-56-4,Acetyl cyclohexanesulphonyl peroxide,acetyl cyclohexanesulfonoperoxoate,CC(=O)OOS(=O)(=O)C1CCCCC1,CC(=O)OOS(=O)(=O)C1CCCCC1,"InChI=1/C8H14O5S/c1-7(9)12-13-14(10,11)8-5-3-2-4-6-8/h8H,2-6H2,1H3",C8H14O5S,,,,,,BSVQJWUUZCXSOL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.695,221-663-4,3179-84-8,Sodium 4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonate,sodium 4-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]-5-nitrobenzenesulfonate,[Na+].Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C16H11N3O7S.Na/c20-14-6-5-9-3-1-2-4-11(9)15(14)18-17-12-7-10(27(24,25)26)8-13(16(12)21)19(22)23;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1",C16H11N3O7S.Na,,,,,,SYDGESGEMNSMFM-UHFFFAOYSA-M,,,,,,,,,,,
100.019.700,221-669-7,3181-38-2,"Inosine 2',3',5'-triacetate","9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purin-6-ol",CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n2cnc3c(O)ncnc23,CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n2cnc3c(O)ncnc23,"InChI=1/C16H18N4O8/c1-7(21)25-4-10-12(26-8(2)22)13(27-9(3)23)16(28-10)20-6-19-11-14(20)17-5-18-15(11)24/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,24)",C16H18N4O8,,,,,,SFEQTFDQPJQUJM-XNIJJKJLSA-N,,,,,,,,,,,
100.012.983,214-280-9,1119-49-9,N-butylacetamide,N-butylacetamide,CCCCNC(=O)C,CCCCNC(=O)C,"InChI=1/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)",C6H13NO,,,,,,GYLDXXLJMRTVSS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.984,214-281-4,1119-51-3,5-bromopent-1-ene,5-bromopent-1-ene,BrCCCC=C,BrCCCC=C,"InChI=1/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2",C5H9Br,,,,,,LPNANKDXVBMDKE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.985,214-283-5,1119-60-4,Hept-6-enoic acid,hept-6-enoic acid,OC(=O)CCCCC=C,OC(=O)CCCCC=C,"InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)",C7H12O2,,,,,,RWNJOXUVHRXHSD-UHFFFAOYSA-N,,,,,,,,,,,
100.012.988,214-286-1,1119-74-0,Dioctadecyl adipate,dioctadecyl adipate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C42H82O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45-41(43)37-33-34-38-42(44)46-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",C42H82O4,,,,,,GYFBKUFUJKHFLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.991,214-289-8,1119-87-5,"Dodecane-1,2-diol","dodecane-1,2-diol",CCCCCCCCCCC(O)CO,CCCCCCCCCCC(O)CO,"InChI=1/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3",C12H26O2,,,,,,ZITKDVFRMRXIJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.012.997,214-296-6,1120-06-5,Decan-2-ol,decan-2-ol,CCCCCCCCC(C)O,CCCCCCCCC(C)O,"InChI=1/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3",C10H22O,,,,,,ACUZDYFTRHEKOS-UHFFFAOYSA-N,,,,,,,,,,,
100.012.998,214-297-1,1120-07-6,Nonan-1-amide,nonanamide,CCCCCCCCC(=O)N,CCCCCCCCC(=O)N,"InChI=1/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)",C9H19NO,,,,,,GHLZUHZBBNDWHW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.000,214-299-2,1120-17-8,"(E)-1,1'-[vinylenebis(thio)]bispropane","1,1'-(ethene-1,2-diyldisulfanediyl)dipropane",CCCSC=CSCCC,CCCSC=CSCCC,"InChI=1/C8H16S2/c1-3-5-9-7-8-10-6-4-2/h7-8H,3-6H2,1-2H3",C8H16S2,,,,,,WERZWRCQQURDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.001,214-300-6,1120-21-4,Undecane,undecane,CCCCCCCCCCC,CCCCCCCCCCC,"InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",C11H24,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2075,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.001,RSJKGSCJYJTIGS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.006,214-305-3,1120-34-9,Methyl (Z)-docos-13-enoate,methyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC,"InChI=1/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3",C23H44O2,,,,,,ZYNDJIBBPLNPOW-KHPPLWFESA-N,,,,,,,,,,,
100.013.007,214-306-9,1120-36-1,Tetradec-1-ene,tetradec-1-ene,CCCCCCCCCCCCC=C,CCCCCCCCCCCCC=C,"InChI=1/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3",C14H28,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2040,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.007,HFDVRLIODXPAHB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.011,214-311-6,1120-48-5,Dioctylamine,N-octyloctan-1-amine,CCCCCCCCNCCCCCCCC,CCCCCCCCNCCCCCCCC,"InChI=1/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3",C16H35N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5697,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.011,LAWOZCWGWDVVSG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.012,214-312-1,1120-49-6,Didecylamine,N-decyldecan-1-amine,CCCCCCCCCCNCCCCCCCCCC,CCCCCCCCCCNCCCCCCCCCC,"InChI=1/C20H43N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3",C20H43N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2071,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.012,GMTCPFCMAHMEMT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.017,214-317-9,1120-71-4,"1,3-propanesultone","1,2-oxathiolane 2,2-dioxide",O=S1(=O)CCCO1,O=S1(=O)CCCO1,InChI=1/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2,C3H6O3S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13407,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.017,FSSPGSAQUIYDCN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.019,214-320-5,1120-87-2,4-bromopyridine,4-bromopyridine,Brc1ccncc1,Brc1ccncc1,InChI=1/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H,C5H4BrN,,,,,,BSDGZUDFPKIYQG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.021,214-322-6,1120-90-7,3-iodopyridine,3-iodopyridine,Ic1cccnc1,Ic1cccnc1,InChI=1/C5H4IN/c6-5-2-1-3-7-4-5/h1-4H,C5H4IN,,,,,,XDELKSRGBLWMBA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.029,214-331-5,1121-37-5,Dicyclopropyl ketone,dicyclopropylmethanone,O=C(C1CC1)C2CC2,O=C(C1CC1)C2CC2,"InChI=1/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2",C7H10O,,,,,,BIPUHAHGLJKIPK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.234,229-957-4,6859-99-0,Piperidin-3-ol,piperidin-3-ol,OC1CCCNC1,OC1CCCNC1,"InChI=1/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2",C5H11NO,,,,,,BIWOSRSKDCZIFM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.240,229-964-2,6865-15-2,"17,21-dihydroxypregn-4-ene-3,11,20-trione 21-undecanoate","17-hydroxy-3,11,20-trioxopregn-4-en-21-yl undecanoate",CCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C32H48O6/c1-4-5-6-7-8-9-10-11-12-28(36)38-21-27(35)32(37)18-16-25-24-14-13-22-19-23(33)15-17-30(22,2)29(24)26(34)20-31(25,32)3/h19,24-25,29,37H,4-18,20-21H2,1-3H3",C32H48O6,,,,,,KQNBYNLOXYNXMU-KZOQROIZSA-N,,,,,,,,,,,
100.027.242,229-966-3,6865-35-6,Barium distearate,barium dioctadecanoate,[Ba+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Ba,,,,,,AGXUVMPSUKZYDT-UHFFFAOYSA-L,,,,,,,,,,,
100.016.046,217-649-2,1920-90-7,Tetrabutylplumbane,tetrabutylplumbane,CCCC[Pb](CCCC)(CCCC)CCCC,CCCC[Pb](CCCC)(CCCC)CCCC,"InChI=1/4C4H9.Pb/c4*1-3-4-2;/h4*1,3-4H2,2H3;/rC16H36Pb/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C16H36Pb,,,,,,KDQHJGWPOQNCMI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.049,217-652-9,1922-67-4,"3,4,6,7,8,9-hexahydro-4,6,6,9,9-pentamethyl-1H-naphtho[2,3-c]pyran","4,6,6,9,9-pentamethyl-3,4,6,7,8,9-hexahydro-1H-benzo[g]isochromene",CC1COCc2cc3c(cc12)C(C)(C)CCC3(C)C,CC1COCc2cc3c(cc12)C(C)(C)CCC3(C)C,"InChI=1/C18H26O/c1-12-10-19-11-13-8-15-16(9-14(12)13)18(4,5)7-6-17(15,2)3/h8-9,12H,6-7,10-11H2,1-5H3",C18H26O,,,,,,HIEQGQHLWHRFOV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.053,217-657-6,1926-49-4,Clometocillin,"6-{[(3,4-dichlorophenyl)(methoxy)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",COC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O)c3ccc(Cl)c(Cl)c3,COC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O)c3ccc(Cl)c(Cl)c3,"InChI=1/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)",C17H18Cl2N2O5S,,,,,,JKXQBIZCQJLVOS-GSNLGQFWSA-N,,,,,,,,,,,
100.016.054,217-658-1,1926-93-8,"6a-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate","6-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H37FO6/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-25(18,5)22(16)20(30)12-26(17,6)27(14,33)21(31)13-34-23(32)24(2,3)4/h7-8,10,14,16-17,19-20,22,30,33H,9,11-13H2,1-6H3",C27H37FO6,,,,,,BHXGVYISZWSEJE-ROLYQIAQSA-N,,,,,,,,,,,
100.016.057,217-661-8,1927-25-9,DL-homoserine,homoserine,NC(CCO)C(=O)O,NC(CCO)C(=O)O,"InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)",C4H9NO3,,,,,,UKAUYVFTDYCKQA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.060,217-664-4,1927-59-9,2-tert-butoxytetrahydrofuran,2-tert-butoxytetrahydrofuran,CC(C)(C)OC1CCCO1,CC(C)(C)OC1CCCO1,"InChI=1/C8H16O2/c1-8(2,3)10-7-5-4-6-9-7/h7H,4-6H2,1-3H3",C8H16O2,,,,,,YUIHSLYOPKDRCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.061,217-666-5,1927-61-3,Tetrahydro-2-(2-phenylethoxy)-2H-pyran,2-(2-phenylethoxy)tetrahydro-2H-pyran,C(Cc1ccccc1)OC2CCCCO2,C(Cc1ccccc1)OC2CCCCO2,"InChI=1/C13H18O2/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h1-3,6-7,13H,4-5,8-11H2",C13H18O2,,,,,,YTSCAWRTSJUGJL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.066,217-671-2,1928-39-8,"Ethyl 2,4,5-trichlorophenoxyacetate","ethyl (2,4,5-trichlorophenoxy)acetate",CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C10H9Cl3O3/c1-2-15-10(14)5-16-9-4-7(12)6(11)3-8(9)13/h3-4H,2,5H2,1H3",C10H9Cl3O3,,,,,,LVNNFHCEDQSWSC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.073,217-679-6,1929-30-2,Ethyl p-methoxycinnamate,ethyl 3-(4-methoxyphenyl)acrylate,CCOC(=O)\\C=C\\c1ccc(OC)cc1,CCOC(=O)\C=C\c1ccc(OC)cc1,"InChI=1/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3",C12H14O3,,,,,,DHNGCHLFKUPGPX-RMKNXTFCSA-N,,,,,,,,,,,
100.016.079,217-685-9,1929-88-0,Benzthiazuron,"1-(1,3-benzothiazol-2-yl)-3-methylurea",CNC(=O)Nc1nc2ccccc2s1,CNC(=O)Nc1nc2ccccc2s1,"InChI=1/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)",C9H9N3OS,,,,,,DTCJYIIKPVRVDD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.080,217-686-4,1930-72-9,"4-chloro-3,5-dinitrobenzonitrile","4-chloro-3,5-dinitrobenzonitrile",[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C#N,[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C#N,InChI=1/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H,C7H2ClN3O4,,,,,,SCGDEDHSPCXGEC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.081,217-688-5,1931-44-8,"7-amino-1,8-naphthyridin-2(1H)-one","7-amino-1,8-naphthyridin-2(1H)-one",Nc1ccc2C=CC(=O)Nc2n1,Nc1ccc2C=CC(=O)Nc2n1,"InChI=1/C8H7N3O/c9-6-3-1-5-2-4-7(12)11-8(5)10-6/h1-4H,(H3,9,10,11,12)",C8H7N3O,,,,,,NSPQTGOJGZXAJM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.084,217-691-1,1931-62-0,OO-tert-butyl monoperoxymaleate,4-(tert-butylperoxy)-4-oxobut-2-enoic acid,CC(C)(C)OOC(=O)C=CC(=O)O,CC(C)(C)OOC(=O)C=CC(=O)O,"InChI=1/C8H12O5/c1-8(2,3)13-12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)",C8H12O5,,,,,,RQHGZNBWBKINOY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.087,217-694-8,1932-84-9,Dibenzyl azelate,dibenzyl azelaate,O=C(CCCCCCCC(=O)OCc1ccccc1)OCc2ccccc2,O=C(CCCCCCCC(=O)OCc1ccccc1)OCc2ccccc2,"InChI=1/C23H28O4/c24-22(26-18-20-12-6-4-7-13-20)16-10-2-1-3-11-17-23(25)27-19-21-14-8-5-9-15-21/h4-9,12-15H,1-3,10-11,16-19H2",C23H28O4,,,,,,AEPUKSBIJZXFCI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.274,217-900-6,2002-24-6,2-hydroxyethylammonium chloride,2-hydroxyethanaminium chloride,[Cl-].[NH3+]CCO,[Cl-].[NH3+]CCO,"InChI=1/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H",C2H7NO.ClH,,,,,,PMUNIMVZCACZBB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.277,217-903-2,7/03/2004,6-methylpurine,6-methyl-9H-purine,Cc1ncnc2[nH]cnc12,Cc1ncnc2[nH]cnc12,"InChI=1/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)",C6H6N4,,,,,,SYMHUEFSSMBHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.282,217-909-5,2004-70-8,"trans-penta-1,3-diene","penta-1,3-diene",C\\C=C\\C=C,C\C=C\C=C,"InChI=1/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3",C5H8,,,,,,PMJHHCWVYXUKFD-SNAWJCMRSA-N,,,,,,,,,,,
100.019.849,221-833-8,3249-28-3,"Hexa-2,4-dienedial","hexa-2,4-dienedial",O=CC=CC=CC=O,O=CC=CC=CC=O,InChI=1/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H,C6H6O2,,,,,,NDCAAPXLWRAESY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.850,221-834-3,3249-61-4,"Docosanoic acid, lead salt",-,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C22H44O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;;;/h2-21H2,1H3,(H,23,24);;;/q;+4;;/rC22H44O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);1H2/q;+4",C22H44O2.xPb,,,,,,TZIMLXLDGCHRIR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.852,221-836-4,9/08/3251,4-aminobutyramide,4-aminobutanamide,NCCCC(=O)N,NCCCC(=O)N,"InChI=1/C4H10N2O/c5-3-1-2-4(6)7/h1-3,5H2,(H2,6,7)",C4H10N2O,,,,,,WCVPFJVXEXJFLB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.857,221-842-7,3251-96-5,Manganese diformate,manganese(2+) diformate,[Mn+2].[O-]C=O.[O-]C=O,[Mn+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Mn/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Mn,,,,,,BHVPEUGTPDJECS-UHFFFAOYSA-L,,,,,,,,,,,
100.019.860,221-845-3,3253-17-6,N-L-alanyl-L-histidine,D-alanyl-L-histidine,C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)",C9H14N4O3,,,,,,XZWXFWBHYRFLEF-FSPLSTOPSA-N,,,,,,,,,,,
100.019.861,221-846-9,3253-39-2,"4,4'-isopropylidenediphenyl dimethacrylate","propane-2,2-diyldi-4,1-phenylene bis(2-methylacrylate)",CC(=C)C(=O)Oc1ccc(cc1)C(C)(C)c2ccc(OC(=O)C(=C)C)cc2,CC(=C)C(=O)Oc1ccc(cc1)C(C)(C)c2ccc(OC(=O)C(=C)C)cc2,"InChI=1/C23H24O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h7-14H,1,3H2,2,4-6H3",C23H24O4,,,,,,QUZSUMLPWDHKCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.862,221-847-4,3253-41-6,"2,2-bis[[(2-methyl-1-oxoallyl)oxy]methyl]-1,3-propanediyl bismethacrylate","3-(methacryloyloxy)-2,2-bis[(methacryloyloxy)methyl]propyl methacrylate (non-preferred name)",CC(=C)C(=O)OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,CC(=C)C(=O)OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,"InChI=1/C21H28O8/c1-13(2)17(22)26-9-21(10-27-18(23)14(3)4,11-28-19(24)15(5)6)12-29-20(25)16(7)8/h1,3,5,7,9-12H2,2,4,6,8H3",C21H28O8,,,,,,KGBBDBRJXGILTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.864,221-850-0,3254-89-5,"a,a-diphenylpiperidine-1-butanol hydrochloride","1,1-diphenyl-4-piperidin-1-ylbutan-1-ol hydrochloride",Cl.OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3,Cl.OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C21H27NO.ClH/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22;/h1-2,4-7,11-14,23H,3,8-10,15-18H2;1H",C21H27NO.ClH,,,,,,AVZIYZHXZAYGJS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.868,221-854-2,3256-88-0,2-methyl-5-phenylpyridine,2-methyl-5-phenylpyridine,Cc1ccc(cn1)c2ccccc2,Cc1ccc(cn1)c2ccccc2,"InChI=1/C12H11N/c1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-9H,1H3",C12H11N,,,,,,JXNAIOCJWBJGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.791,217-370-6,1825-62-3,Ethoxytrimethylsilane,ethoxy(trimethyl)silane,CCO[Si](C)(C)C,CCO[Si](C)(C)C,"InChI=1/C5H14OSi/c1-5-6-7(2,3)4/h5H2,1-4H3",C5H14OSi,,,,,,RSIHJDGMBDPTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.792,217-371-1,1825-63-4,Trimethylpropoxysilane,trimethyl(propoxy)silane,CCCO[Si](C)(C)C,CCCO[Si](C)(C)C,"InChI=1/C6H16OSi/c1-5-6-7-8(2,3)4/h5-6H2,1-4H3",C6H16OSi,,,,,,PHPGKIATZDCVHL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.797,217-376-9,1828-09-7,Bis(4-fluorophenyl)iodonium chloride,bis(4-fluorophenyl)iodonium chloride,[Cl-].Fc1ccc([I+]c2ccc(F)cc2)cc1,[Cl-].Fc1ccc([I+]c2ccc(F)cc2)cc1,InChI=1/C12H8F2I.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-8H;1H/q+1;/p-1,C12H8F2I.Cl,,,,,,SZOHSFVTEGLKML-UHFFFAOYSA-M,,,,,,,,,,,
100.015.801,217-381-6,1829-40-9,Hexaphenyldisiloxane,hexaphenyldisiloxane,O([Si](c1ccccc1)(c2ccccc2)c3ccccc3)[Si](c4ccccc4)(c5ccccc5)c6ccccc6,O([Si](c1ccccc1)(c2ccccc2)c3ccccc3)[Si](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/C36H30OSi2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",C36H30OSi2,,,,,,IVZTVZJLMIHPEY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.806,217-386-3,1830-56-4,1-ethylbenz[cd]indol-2(1H)-one,1-ethylbenzo[cd]indol-2(1H)-one,CCN1C(=O)c2cccc3cccc1c23,CCN1C(=O)c2cccc3cccc1c23,"InChI=1/C13H11NO/c1-2-14-11-8-4-6-9-5-3-7-10(12(9)11)13(14)15/h3-8H,2H2,1H3",C13H11NO,,,,,,BYZKRKXJSNSHEE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.810,217-391-0,1833-27-8,"1,3-dibenzyl-1,1,3,3-tetramethyldisiloxane","1,3-dibenzyl-1,1,3,3-tetramethyldisiloxane",C[Si](C)(Cc1ccccc1)O[Si](C)(C)Cc2ccccc2,C[Si](C)(Cc1ccccc1)O[Si](C)(C)Cc2ccccc2,"InChI=1/C18H26OSi2/c1-20(2,15-17-11-7-5-8-12-17)19-21(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3",C18H26OSi2,,,,,,JOZICAJUSHUZLD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.111,225-422-4,8/01/4837,[(2-bromoethyl)thio]benzene,[(2-bromoethyl)sulfanyl]benzene,BrCCSc1ccccc1,BrCCSc1ccccc1,"InChI=1/C8H9BrS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9BrS,,,,,,UEFBOQYLXLEJSM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.113,225-425-0,4839-46-7,"3,3-dimethylglutaric acid","3,3-dimethylpentanedioic acid",CC(C)(CC(=O)O)CC(=O)O,CC(C)(CC(=O)O)CC(=O)O,"InChI=1/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,DUHQIGLHYXLKAE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.114,225-426-6,4840-63-5,5-(ethylsulphonyl)-o-anisic acid,5-(ethylsulfonyl)-2-methoxybenzoic acid,CCS(=O)(=O)c1ccc(OC)c(c1)C(=O)O,CCS(=O)(=O)c1ccc(OC)c(c1)C(=O)O,"InChI=1/C10H12O5S/c1-3-16(13,14)7-4-5-9(15-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)",C10H12O5S,,,,,,NBFYWQQYIJTQQV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.116,225-428-7,4840-76-0,Vinyl cyclohexanecarboxylate,vinyl cyclohexanecarboxylate,C=COC(=O)C1CCCCC1,C=COC(=O)C1CCCCC1,"InChI=1/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2,8H,1,3-7H2",C9H14O2,,,,,,JZRGFKQYQJKGAK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.118,225-430-8,4845-49-2,"1,3-diphenyl-5-pyrazolone","2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one",O=C1C=C(NN1c2ccccc2)c3ccccc3,O=C1C=C(NN1c2ccccc2)c3ccccc3,"InChI=1/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-11,16H",C15H12N2O,,,,,,XUGMZXWEBJJQID-UHFFFAOYSA-N,,,,,,,,,,,
100.023.119,225-431-3,4845-50-5,"1,4-dioxane-2,3-diol","1,4-dioxane-2,3-diol",OC1OCCOC1O,OC1OCCOC1O,"InChI=1/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2",C4H8O4,,,,,,YLVACWCCJCZITJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.252,225-577-8,4937-62-6,2-amino-4-methylbenzophenone,(2-amino-4-methylphenyl)(phenyl)methanone,Cc1ccc(C(=O)c2ccccc2)c(N)c1,Cc1ccc(C(=O)c2ccccc2)c(N)c1,"InChI=1/C14H13NO/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3",C14H13NO,,,,,,YINYAGBOKBLJHY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.253,225-578-3,4938-00-5,Danosteine,3-[(carboxymethyl)sulfanyl]propanoic acid,OC(=O)CCSCC(=O)O,OC(=O)CCSCC(=O)O,"InChI=1/C5H8O4S/c6-4(7)1-2-10-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",C5H8O4S,,,,,,MLLYDWHLZFTQBY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.254,225-579-9,4938-52-7,Hept-1-en-3-ol,hept-1-en-3-ol,CCCCC(O)C=C,CCCCC(O)C=C,"InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3",C7H14O,,,,,,PZKFYTOLVRCMOA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.256,225-582-5,8/11/4940,2-ethyl-3-hydroxy-4-pyrone,2-ethyl-3-hydroxy-4H-pyran-4-one,CCC1=C(O)C(=O)C=CO1,CCC1=C(O)C(=O)C=CO1,"InChI=1/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3",C7H8O3,,,,,,YIKYNHJUKRTCJL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.261,225-587-2,4945-47-5,Bamipine,N-benzyl-1-methyl-N-phenylpiperidin-4-amine,CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3,CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3,"InChI=1/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3",C19H24N2,,,,,,VZSXTYKGYWISGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.262,225-588-8,4945-48-6,1-butylpiperidine,1-butylpiperidine,CCCCN1CCCCC1,CCCCN1CCCCC1,"InChI=1/C9H19N/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3",C9H19N,,,,,,AXWLKJWVMMAXBD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.267,225-594-0,5/06/4950,"3,4-dibromo-5-(hydroxymethyl)pyrocatechol","3,4-dibromo-5-(hydroxymethyl)benzene-1,2-diol",OCc1cc(O)c(O)c(Br)c1Br,OCc1cc(O)c(O)c(Br)c1Br,"InChI=1/C7H6Br2O3/c8-5-3(2-10)1-4(11)7(12)6(5)9/h1,10-12H,2H2",C7H6Br2O3,,,,,,GKZCMEUEEFOXIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.273,225-600-1,4957-24-8,"3,3-dimethylindan-5-ol","3,3-dimethylindan-5-ol",CC1(C)CCc2ccc(O)cc12,CC1(C)CCc2ccc(O)cc12,"InChI=1/C11H14O/c1-11(2)6-5-8-3-4-9(12)7-10(8)11/h3-4,7,12H,5-6H2,1-2H3",C11H14O,,,,,,PAIGLICXCCZBCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.281,225-609-0,4969-00-0,"2-(1-ethylpentyl)-1,3-dioxan-5-ol","2-(1-ethylpentyl)-1,3-dioxan-5-ol",CCCCC(CC)C1OCC(O)CO1,CCCCC(CC)C1OCC(O)CO1,"InChI=1/C11H22O3/c1-3-5-6-9(4-2)11-13-7-10(12)8-14-11/h9-12H,3-8H2,1-2H3",C11H22O3,,,,,,KTDOCHWZNXJZHB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.044,217-647-1,1920-21-4,"3,4-dihydro-2,5-dimethyl-2H-pyran-2-carbaldehyde","2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde",CC1=COC(C)(CC1)C=O,CC1=COC(C)(CC1)C=O,"InChI=1/C8H12O2/c1-7-3-4-8(2,6-9)10-5-7/h5-6H,3-4H2,1-2H3",C8H12O2,,,,,,DYVJZCIYRQUXBA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.045,217-648-7,1920-66-7,2-chloro-5-nitropyrimidin-4-amine,2-chloro-5-nitropyrimidin-4-amine,Nc1nc(Cl)ncc1[N+](=O)[O-],Nc1nc(Cl)ncc1[N+](=O)[O-],"InChI=1/C4H3ClN4O2/c5-4-7-1-2(9(10)11)3(6)8-4/h1H,(H2,6,7,8)",C4H3ClN4O2,,,,,,RZGOEIWDMVQJBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.047,217-650-8,1921-70-6,"2,6,10,10-tetramethylpentadecane","2,6,10,10-tetramethylpentadecane",CCCCCC(C)(C)CCCC(C)CCCC(C)C,CCCCCC(C)(C)CCCC(C)CCCC(C)C,"InChI=1/C19H40/c1-7-8-9-15-19(5,6)16-11-14-18(4)13-10-12-17(2)3/h17-18H,7-16H2,1-6H3",C19H40,,,,,,MTFZMVUYAILXSB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.244,229-968-4,6871-44-9,Echitamine,"4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium",COC(=O)C5(CO)[C@@H]2C[C@@H](O)C34Nc1ccccc1[C@]45CC[N+]3(C)CC2=CC,COC(=O)C5(CO)[C@@H]2C[C@@H](O)C34Nc1ccccc1[C@]45CC[N+]3(C)CC2=CC,"InChI=1/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1",C22H29N2O4,,,,,,AFJPGVUCVDCFPM-STAUQARGSA-N,,,,,,,,,,,
100.027.246,229-971-0,6/06/6872,2-methylindoline,2-methylindoline,CC1Cc2ccccc2N1,CC1Cc2ccccc2N1,"InChI=1/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3",C9H11N,,,,,,QRWRJDVVXAXGBT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.878,231-765-0,7722-84-1,Hydrogen peroxide,hydrogen peroxide,OO,OO,InChI=1/H2O2/c1-2/h1-2H,H2O2,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15701,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.878,MHAJPDPJQMAIIY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.884,231-771-3,7724-76-7,Riboprine,N-(3-methylbut-2-en-1-yl)adenosine,C/C(C)=C\\CNc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C/C(C)=C\CNc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)",C15H21N5O4,,,,,,USVMJSALORZVDV-SDBHATRESA-N,,,,,,,,,,,
100.028.887,231-775-5,7726-23-0,"1,1'-sulphinylbis[3-methylbutane]","1,1'-sulfinylbis(3-methylbutane)",CC(C)CCS(=O)CCC(C)C,CC(C)CCS(=O)CCC(C)C,"InChI=1/C10H22OS/c1-9(2)5-7-12(11)8-6-10(3)4/h9-10H,5-8H2,1-4H3",C10H22OS,,,,,,WXYDKGMJJFFORR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.891,231-779-7,7727-15-3,Aluminium bromide,aluminum tribromide,[Al+3].[Br-].[Br-].[Br-],[Al+3].[Br-].[Br-].[Br-],InChI=1/Al.3BrH/h;3*1H/q+3;;;/p-3,AlBr3,,,,,,PQLAYKMGZDUDLQ-UHFFFAOYSA-K,,,,,,,,,,,
100.028.894,231-782-3,7727-33-5,Ethanediylidenetetrakisphenol,"4,4',4'',4'''-ethane-1,1,2,2-tetrayltetraphenol",Oc1ccc(cc1)C(C(c2ccc(O)cc2)c3ccc(O)cc3)c4ccc(O)cc4,Oc1ccc(cc1)C(C(c2ccc(O)cc2)c3ccc(O)cc3)c4ccc(O)cc4,"InChI=1/C26H22O4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,25-30H",C26H22O4,,,,,,HDPBBNNDDQOWPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.846,215-229-3,1314-32-5,Dithallium trioxide,-,O=[Tl]O[Tl]=O,O=[Tl]O[Tl]=O,InChI=1/3O.2Tl/rO3Tl2/c1-4-3-5-2,O3Tl2,,,,,,QTQRFJQXXUPYDI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.204,225-524-9,4898-58-2,"Dimethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate","dimethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate",COC(=O)C1=C(CC(=C(C1)Nc2ccccc2)C(=O)OC)Nc3ccccc3,COC(=O)C1=C(CC(=C(C1)Nc2ccccc2)C(=O)OC)Nc3ccccc3,"InChI=1/C22H22N2O4/c1-27-21(25)17-13-20(24-16-11-7-4-8-12-16)18(22(26)28-2)14-19(17)23-15-9-5-3-6-10-15/h3-12,23-24H,13-14H2,1-2H3",C22H22N2O4,,,,,,JAWHCRQIVXIBNR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.219,225-541-1,4913-33-1,Ammonium octyl sebacate,ammonium 10-(octyloxy)-10-oxodecanoate,[NH4+].CCCCCCCCOC(=O)CCCCCCCCC(=O)[O-],[NH4+].CCCCCCCCOC(=O)CCCCCCCCC(=O)[O-],"InChI=1/C18H34O4.H3N/c1-2-3-4-5-10-13-16-22-18(21)15-12-9-7-6-8-11-14-17(19)20;/h2-16H2,1H3,(H,19,20);1H3",C18H34O4.H3N,,,,,,VWQKWLCSQYSUDM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.222,225-544-8,4917-76-4,"2,2'-thiodisuccinic acid","2,2'-sulfanediyldisuccinic acid",OC(=O)CC(SC(CC(=O)O)C(=O)O)C(=O)O,OC(=O)CC(SC(CC(=O)O)C(=O)O)C(=O)O,"InChI=1/C8H10O8S/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)",C8H10O8S,,,,,,SASYRHXVHLPMQD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.223,225-545-3,4919-33-9,4-ethoxyphenylacetic acid,(4-ethoxyphenyl)acetic acid,CCOc1ccc(CC(=O)O)cc1,CCOc1ccc(CC(=O)O)cc1,"InChI=1/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)",C10H12O3,,,,,,ZVVWZNFSMIFGEP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.225,225-547-4,4920-79-0,2-chloro-4-nitroanisole,2-chloro-1-methoxy-4-nitrobenzene,COc1ccc(cc1Cl)[N+](=O)[O-],COc1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3",C7H6ClNO3,,,,,,DLJPNXLHWMRQIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.230,225-553-7,4924-22-5,"N-acetyl-N'-(2,3-dihydro-2-phenyl-4H-1-benzopyran-4-ylidene)acetohydrazide","N-acetyl-N'-(2-phenyl-2,3-dihydro-4H-chromen-4-ylidene)acetohydrazide",CC(=O)N(N=C2CC(Oc1ccccc12)c3ccccc3)C(C)=O,CC(=O)N(N=C2CC(Oc1ccccc12)c3ccccc3)C(C)=O,"InChI=1/C19H18N2O3/c1-13(22)21(14(2)23)20-17-12-19(15-8-4-3-5-9-15)24-18-11-7-6-10-16(17)18/h3-11,19H,12H2,1-2H3",C19H18N2O3,,,,,,UNGWSRDLOLQJGX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.283,217-910-0,5/08/2005,4-chlorophenyl benzoate,4-chlorophenyl benzoate,Clc1ccc(OC(=O)c2ccccc2)cc1,Clc1ccc(OC(=O)c2ccccc2)cc1,InChI=1/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H,C13H9ClO2,,,,,,JKSIXXOEIXUYFW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.289,217-916-3,2008-41-5,Butylate,S-ethyl diisobutylthiocarbamate,CCSC(=O)N(CC(C)C)CC(C)C,CCSC(=O)N(CC(C)C)CC(C)C,"InChI=1/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3",C11H23NOS,,,,,,BMTAFVWTTFSTOG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.295,217-923-1,2009-24-7,"9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one","9-hydroxy-7H-furo[3,2-g]chromen-7-one",Oc1c2OC(=O)C=Cc2cc3ccoc13,Oc1c2OC(=O)C=Cc2cc3ccoc13,"InChI=1/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H",C11H6O4,,,,,,JWVYQQGERKEAHW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.297,217-925-2,2009-83-8,6-chlorohexan-1-ol,6-chlorohexan-1-ol,OCCCCCCCl,OCCCCCCCl,"InChI=1/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2",C6H13ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16593,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.297,JNTPTNNCGDAGEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.301,217-929-4,2011-66-7,2-amino-2'-chloro-5-nitrobenzophenone,(2-amino-5-nitrophenyl)(2-chlorophenyl)methanone,Nc1ccc(cc1C(=O)c2ccccc2Cl)[N+](=O)[O-],Nc1ccc(cc1C(=O)c2ccccc2Cl)[N+](=O)[O-],"InChI=1/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2",C13H9ClN2O3,,,,,,GRDGBWVSVMLKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.302,217-931-5,2011-67-8,Nimetazepam,"1-methyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+](=O)[O-],CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+](=O)[O-],"InChI=1/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",C16H13N3O3,,,,,,GWUSZQUVEVMBPI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.313,217-943-0,2015-19-2,5-amino-2-chlorobenzenesulphonamide,5-amino-2-chlorobenzenesulfonamide,Nc1ccc(Cl)c(c1)S(=O)(=O)N,Nc1ccc(Cl)c(c1)S(=O)(=O)N,"InChI=1/C6H7ClN2O2S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11)",C6H7ClN2O2S,,,,,,FDDSVQLOFIBCDH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.703,221-672-3,3182-77-2,N-allylglycine,N-allylglycine,OC(=O)CNCC=C,OC(=O)CNCC=C,"InChI=1/C5H9NO2/c1-2-3-6-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)",C5H9NO2,,,,,,YVWGGGZYGSZDKW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.706,221-676-5,2/08/3183,S-(2-amino-2-carboxyethyl)-DL-cysteine,N-(2-amino-2-carboxyethyl)-D-cysteine,NC(CN[C@H](CS)C(=O)O)C(=O)O,NC(CN[C@H](CS)C(=O)O)C(=O)O,"InChI=1/C6H12N2O4S/c7-3(5(9)10)1-8-4(2-13)6(11)12/h3-4,8,13H,1-2,7H2,(H,9,10)(H,11,12)",C6H12N2O4S,,,,,,JNZSSEPKDITHHV-SRBOSORUSA-N,,,,,,,,,,,
100.019.715,221-685-4,3188-00-9,2-methyltetrahydrofuran-3-one,2-methyldihydrofuran-3(2H)-one,CC1OCCC1=O,CC1OCCC1=O,"InChI=1/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3",C5H8O2,,,,,,FCWYQRVIQDNGBI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.722,221-693-8,3194-15-8,1-(2-furyl)propan-1-one,1-(2-furyl)propan-1-one,CCC(=O)c1occc1,CCC(=O)c1occc1,"InChI=1/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3",C7H8O2,,,,,,HCPORNAVHSWTOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.723,221-694-3,3194-43-2,Hexahydro-1H-azepine-1-butyronitrile,4-azepan-1-ylbutanenitrile,N#CCCCN1CCCCCC1,N#CCCCN1CCCCCC1,"InChI=1/C10H18N2/c11-7-3-6-10-12-8-4-1-2-5-9-12/h1-6,8-10H2",C10H18N2,,,,,,OQPSAQBHEQYYMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.731,221-704-6,3200-96-2,Tetrachlorocyclobut-2-enone,"2,3,4,4-tetrachlorocyclobut-2-en-1-one",ClC1=C(Cl)C(Cl)(Cl)C1=O,ClC1=C(Cl)C(Cl)(Cl)C1=O,"InChI=1/C4Cl4O/c5-1-2(6)4(7,8)3(1)9",C4Cl4O,,,,,,NWDONRNKYCKRNT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.742,221-716-1,3209-13-0,3-methoxy-5-methylphenol,3-methoxy-5-methylphenol,COc1cc(C)cc(O)c1,COc1cc(C)cc(O)c1,"InChI=1/C8H10O2/c1-6-3-7(9)5-8(4-6)10-2/h3-5,9H,1-2H3",C8H10O2,,,,,,NOTCZLKDULMKBR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.745,221-719-8,3209-37-8,Oxiranylmethyl p-vinylbenzoate,oxiran-2-ylmethyl 4-vinylbenzoate,C=Cc1ccc(cc1)C(=O)OCC2CO2,C=Cc1ccc(cc1)C(=O)OCC2CO2,"InChI=1/C12H12O3/c1-2-9-3-5-10(6-4-9)12(13)15-8-11-7-14-11/h2-6,11H,1,7-8H2",C12H12O3,,,,,,JFHBKKGEVRVZPE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.746,221-720-3,3209-72-1,Ethyl 5-methylisoxazole-3-carboxylate,ethyl 5-methylisoxazole-3-carboxylate,CCOC(=O)c1cc(C)on1,CCOC(=O)c1cc(C)on1,"InChI=1/C7H9NO3/c1-3-10-7(9)6-4-5(2)11-8-6/h4H,3H2,1-2H3",C7H9NO3,,,,,,OCCIGHIQVMLYBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.747,221-721-9,3210-57-9,Methyl tetrahydro-5-methyl-4-oxo-3-furoate,"1,4-anhydro-2,5-dideoxy-2-(methoxycarbonyl)pent-3-ulose",COC(=O)C1COC(C)C1=O,COC(=O)C1COC(C)C1=O,"InChI=1/C7H10O4/c1-4-6(8)5(3-11-4)7(9)10-2/h4-5H,3H2,1-2H3",C7H10O4,,,,,,WUAVQXXNANXZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.748,221-722-4,3211-20-9,"trans-1,2-dicyanocyclobutane","cyclobutane-1,2-dicarbonitrile",N#CC1CCC1C#N,N#CC1CCC1C#N,"InChI=1/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2",C6H6N2,,,,,,CZPLUOCTUPJSIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.813,217-394-7,1833-57-4,"1-amino-9,10-dihydro-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulphonic acid","1-amino-4-(mesitylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c1,Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c1,"InChI=1/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)",C23H20N2O5S,,,,,,YKHGPGKCMQFZSK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.815,217-396-8,1834-30-6,Iron(3+) acetate,iron(3+) triacetate,[Fe+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Fe+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Fe/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Fe,,,,,,PVFSDGKDKFSOTB-UHFFFAOYSA-K,,,,,,,,,,,
100.015.816,217-397-3,1835-49-0,Tetrafluoroterephthalonitrile,"2,3,5,6-tetrafluoroterephthalonitrile",Fc1c(F)c(C#N)c(F)c(F)c1C#N,Fc1c(F)c(C#N)c(F)c(F)c1C#N,InChI=1/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11,C8F4N2,,,,,,PCRSJGWFEMHHEW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.817,217-398-9,1835-51-4,4-methyl hydrogen DL-aspartate,2-amino-4-methoxy-4-oxobutanoic acid (non-preferred name),COC(=O)C[C@H](N)C(=O)O,COC(=O)C[C@H](N)C(=O)O,"InChI=1/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)",C5H9NO4,,,,,,SBRYFUVVWOMLLP-VKHMYHEASA-N,,,,,,,,,,,
100.015.822,217-403-4,1836-73-3,3-chloro-2-(4-nitrophenoxy)toluene,1-chloro-3-methyl-2-(4-nitrophenoxy)benzene,Cc1cccc(Cl)c1Oc2ccc(cc2)[N+](=O)[O-],Cc1cccc(Cl)c1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H10ClNO3/c1-9-3-2-4-12(14)13(9)18-11-7-5-10(6-8-11)15(16)17/h2-8H,1H3",C13H10ClNO3,,,,,,NQQNPPIIAMHQFR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.823,217-405-5,1836-74-4,1-chloro-4-(4-nitrophenoxy)benzene,1-chloro-4-(4-nitrophenoxy)benzene,[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2)cc1,[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2)cc1,InChI=1/C12H8ClNO3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,C12H8ClNO3,,,,,,GDEZSMXXDMVYHT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.831,217-413-9,1838-59-1,Allyl formate,allyl formate,C=CCOC=O,C=CCOC=O,"InChI=1/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2",C4H6O2,,,,,,ZHHZHHSFKCANOC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.832,217-414-4,1838-73-9,3-methylheptan-4-ol,3-methylheptan-4-ol,CCCC(O)C(C)CC,CCCC(O)C(C)CC,"InChI=1/C8H18O/c1-4-6-8(9)7(3)5-2/h7-9H,4-6H2,1-3H3",C8H18O,,,,,,JMRDKKYZLXDPLN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.833,217-416-5,1838-88-6,2-methylpent-2-en-1-yl acetate,2-methylpent-2-en-1-yl acetate,CC(=O)OCC(C)=CCC,CC(=O)OCC(C)=CCC,"InChI=1/C8H14O2/c1-4-5-7(2)6-10-8(3)9/h5H,4,6H2,1-3H3",C8H14O2,,,,,,SLNZJIRRMLAZEY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.835,217-418-6,1841-19-6,Fluspirilene,"8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5,Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5,"InChI=1/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)",C29H31F2N3O,,,,,,QOYHHIBFXOOADH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.461,221-407-1,3086-72-4,"4-hydroxy-3,5-dimethoxybenzamide","4-hydroxy-3,5-dimethoxybenzamide",COc1cc(cc(OC)c1O)C(=O)N,COc1cc(cc(OC)c1O)C(=O)N,"InChI=1/C9H11NO4/c1-13-6-3-5(9(10)12)4-7(14-2)8(6)11/h3-4,11H,1-2H3,(H2,10,12)",C9H11NO4,,,,,,XWMSEZHMHBQVLE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.470,221-417-6,3088-41-3,3-piperidinopropionitrile,3-piperidin-1-ylpropanenitrile,N#CCCN1CCCCC1,N#CCCN1CCCCC1,"InChI=1/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2",C8H14N2,,,,,,YZICFVIUVMCCOC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.486,221-434-9,3090-36-6,Tributyl(lauroyloxy)stannane,tributyl(dodecanoyloxy)stannane,CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C12H24O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC24H50O2Sn/c1-5-9-13-14-15-16-17-18-19-20-24(25)26-27(21-10-6-2,22-11-7-3)23-12-8-4/h5-23H2,1-4H3",C24H50O2Sn,,,,,,HFFZSMFXOBHQLV-UHFFFAOYSA-M,,,,,,,,,,,
100.019.490,221-439-6,3093-35-4,Halcinonide,"6b-(chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl,"InChI=1/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3",C24H32ClFO5,,,,,,MUQNGPZZQDCDFT-JNQJZLCISA-N,,,,,,,,,,,
100.019.492,221-441-7,3094-87-9,Iron di(acetate),iron(2+) diacetate,[Fe+2].CC(=O)[O-].CC(=O)[O-],[Fe+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Fe/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Fe,,,,,,LNOZJRCUHSPCDZ-UHFFFAOYSA-L,,,,,,,,,,,
100.019.496,221-445-9,3096-57-9,2-aminofluoren-9-one,2-amino-9H-fluoren-9-one,Nc1ccc2c3ccccc3C(=O)c2c1,Nc1ccc2c3ccccc3C(=O)c2c1,"InChI=1/C13H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H,14H2",C13H9NO,,,,,,SJODITPGMMSNRF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.453,218-097-5,2050-69-3,"1,2-dichloronaphthalene","1,2-dichloronaphthalene",Clc1ccc2ccccc2c1Cl,Clc1ccc2ccccc2c1Cl,InChI=1/C10H6Cl2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,C10H6Cl2,,,,,,MOXLHAPKZWTHEX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.459,218-104-1,2050-77-3,1-iododecane,1-iododecane,CCCCCCCCCCI,CCCCCCCCCCI,"InChI=1/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",C10H21I,,,,,,SKIDNYUZJPMKFC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.048,217-651-3,1922-48-1,"16-a,17-a-epoxy-3-ß-hydroxy-16-ß-methylpregn-5-en-20-one","3-hydroxy-16-methyl-16,17-epoxypregn-5-en-20-one",CC(=O)[C@]35O[C@]5(C)C[C@H]2[C@@H]4C\\C=C1\\C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C,CC(=O)[C@]35O[C@]5(C)C[C@H]2[C@@H]4C\C=C1\C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C,"InChI=1/C22H32O3/c1-13(23)22-20(3)10-8-17-16(18(20)12-21(22,4)25-22)6-5-14-11-15(24)7-9-19(14,17)2/h5,15-18,24H,6-12H2,1-4H3",C22H32O3,,,,,,LMVLICSGVDWDSM-ZBJWQKIUSA-N,,,,,,,,,,,
100.016.056,217-660-2,6/06/1927,Choline bromide,"2-hydroxy-N,N,N-trimethylethanaminium bromide",[Br-].C[N+](C)(C)CCO,[Br-].C[N+](C)(C)CCO,"InChI=1/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1",C5H14NO.Br,,,,,,JJCWKVUUIFLXNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.016.059,217-663-9,1927-44-2,10H-phenothiazin-3-ol,10H-phenothiazin-3-ol,Oc1ccc2Nc3ccccc3Sc2c1,Oc1ccc2Nc3ccccc3Sc2c1,"InChI=1/C12H9NOS/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7,13-14H",C12H9NOS,,,,,,JAMWHXUWMDVHJF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.062,217-667-0,1927-63-5,2-(hexyloxy)tetrahydro-2H-pyran,2-(hexyloxy)tetrahydro-2H-pyran,CCCCCCOC1CCCCO1,CCCCCCOC1CCCCO1,"InChI=1/C11H22O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h11H,2-10H2,1H3",C11H22O2,,,,,,LMUWFXQGRIPPJK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.063,217-668-6,1927-95-3,4-bromophenyl acetate,4-bromophenyl acetate,CC(=O)Oc1ccc(Br)cc1,CC(=O)Oc1ccc(Br)cc1,"InChI=1/C8H7BrO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3",C8H7BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1961,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.063,XEXHCQJRVMVJMY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.064,217-669-1,1928-37-6,"Methyl 2,4,5-trichlorophenoxyacetate","methyl (2,4,5-trichlorophenoxy)acetate",COC(=O)COc1cc(Cl)c(Cl)cc1Cl,COC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3",C9H7Cl3O3,,,,,,JUCNGUOYQGHBJC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.065,217-670-7,1928-38-7,"Methyl 2,4-dichlorophenoxyacetate","methyl (2,4-dichlorophenoxy)acetate",COC(=O)COc1ccc(Cl)cc1Cl,COC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3",C9H8Cl2O3,,,,,,HWIGZMADSFQMOI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.070,217-675-4,1928-47-8,"2-ethylhexyl 2,4,5-trichlorophenoxyacetate","2-ethylhexyl (2,4,5-trichlorophenoxy)acetate",CCCCC(CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCCC(CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C16H21Cl3O3/c1-3-5-6-11(4-2)9-22-16(20)10-21-15-8-13(18)12(17)7-14(15)19/h7-8,11H,3-6,9-10H2,1-2H3",C16H21Cl3O3,,,,,,MNELUOHPQMJXGU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.072,217-678-0,1929-29-9,3-(p-methoxyphenyl)propionic acid,3-(4-methoxyphenyl)propanoic acid,COc1ccc(CCC(=O)O)cc1,COc1ccc(CCC(=O)O)cc1,"InChI=1/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)",C10H12O3,,,,,,FIUFLISGGHNPSM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.075,217-681-7,1929-77-7,S-propyl dipropylthiocarbamate,S-propyl dipropylthiocarbamate,CCCSC(=O)N(CCC)CCC,CCCSC(=O)N(CCC)CCC,"InChI=1/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3",C10H21NOS,,,,,,OKUGPJPKMAEJOE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.078,217-684-3,1929-87-9,Methyl 2-naphthyloxyacetate,methyl (2-naphthyloxy)acetate,COC(=O)COc1ccc2ccccc2c1,COC(=O)COc1ccc2ccccc2c1,"InChI=1/C13H12O3/c1-15-13(14)9-16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3",C13H12O3,,,,,,AMURPBCUFDCTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.092,217-700-9,1934-22-1,"Disodium 4,5-dihydro-5-oxo-4-(phenylazo)-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","disodium 5-oxo-4-(phenyldiazenyl)-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(\\C(N=Nc2ccccc2)C3=O)C([O-])=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(\C(N=Nc2ccccc2)C3=O)C([O-])=O,"InChI=1/C16H12N4O6S.2Na/c21-15-13(18-17-10-4-2-1-3-5-10)14(16(22)23)19-20(15)11-6-8-12(9-7-11)27(24,25)26;;/h1-9,13H,(H,22,23)(H,24,25,26);;/q;2*+1/p-2",C16H12N4O6S.2Na,,,,,,RIJCRHVARLHLQC-UHFFFAOYSA-L,,,,,,,,,,,
100.016.278,217-904-8,2004-06-0,6-chloro-9-ribofuranosyl-9H-purine,6-chloro-9-D-ribofuranosyl-9H-purine,OC[C@H]1OC([C@H](O)[C@@H]1O)n2cnc3c(Cl)ncnc23,OC[C@H]1OC([C@H](O)[C@@H]1O)n2cnc3c(Cl)ncnc23,"InChI=1/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2",C10H11ClN4O4,,,,,,XHRJGHCQQPETRH-VTHZCTBJSA-N,,,,,,,,,,,
100.016.279,217-905-3,1/07/2004,6-chloro-9-ß-D-ribofuranosyl-9H-purin-2-amine,6-chloro-9-beta-D-ribofuranosyl-9H-purin-2-amine,Nc1nc(Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,Nc1nc(Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,"InChI=1/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)",C10H12ClN5O4,,,,,,TXWHPSZYRUHEGT-UUOKFMHZSA-N,,,,,,,,,,,
100.016.306,217-935-7,2012-81-9,2-(4-chlorophenyl)-3-methylbutyronitrile,2-(4-chlorophenyl)-3-methylbutanenitrile,CC(C)C(C#N)c1ccc(Cl)cc1,CC(C)C(C#N)c1ccc(Cl)cc1,"InChI=1/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3",C11H12ClN,,,,,,RBGSZIRWNWQDOK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.231,225-554-2,4925-71-7,cis-9-oxabicyclo[6.1.0]nonane,9-oxabicyclo[6.1.0]nonane,C1CCC[C@H]2O[C@H]2CC1,C1CCC[C@H]2O[C@H]2CC1,"InChI=1/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2",C8H14O,,,,,,MELPJGOMEMRMPL-OCAPTIKFSA-N,,,,,,,,,,,
100.023.234,225-557-9,4927-26-8,"3ß,17-dihydroxy-16a-methylpregn-5-en-20-one","3,17-dihydroxy-16-methylpregn-5-en-20-one",C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C,C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C,"InChI=1/C22H34O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h5,13,16-19,24-25H,6-12H2,1-4H3",C22H34O3,,,,,,MDCCMZGGNCMFPQ-HQURQYGRSA-N,,,,,,,,,,,
100.023.236,225-560-5,4927-33-7,5-cyclohexyl-5-methylhexan-3-ol,5-cyclohexyl-5-methylhexan-3-ol,CCC(O)CC(C)(C)C1CCCCC1,CCC(O)CC(C)(C)C1CCCCC1,"InChI=1/C13H26O/c1-4-12(14)10-13(2,3)11-8-6-5-7-9-11/h11-12,14H,4-10H2,1-3H3",C13H26O,,,,,,IXIFHBNAXLFBCN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.240,225-564-7,4928-43-2,"N2,N2-dimethylpyridine-2,5-diamine","N~2~,N~2~-dimethylpyridine-2,5-diamine",CN(C)c1ccc(N)cn1,CN(C)c1ccc(N)cn1,"InChI=1/C7H11N3/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,8H2,1-2H3",C7H11N3,,,,,,OBOSXEWFRARQPU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.377,225-714-1,5026-62-0,Sodium 4-(methoxycarbonyl)phenolate,sodium 4-(methoxycarbonyl)phenolate,[Na+].COC(=O)c1ccc([O-])cc1,[Na+].COC(=O)c1ccc([O-])cc1,"InChI=1/C8H8O3.Na/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1",C8H8O3.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5580,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.377,PESXGULMKCKJCC-UHFFFAOYSA-M,,,,,,,,,,,
100.013.033,214-335-7,1121-70-6,Sodium p-cresolate,sodium 4-methylphenolate,Cc1ccc(O[Na])cc1,Cc1ccc(O[Na])cc1,"InChI=1/C7H8O.Na/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;/q;+1/p-1",C7H8O.Na,,,,,,ZECBPBHBGNLLMU-UHFFFAOYSA-M,,,,,,,,,,,
100.013.035,214-337-8,1121-78-4,6-methylpyridin-3-ol,6-methylpyridin-3-ol,Cc1ccc(O)cn1,Cc1ccc(O)cn1,"InChI=1/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3",C6H7NO,,,,,,DHLUJPLHLZJUBW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.039,214-342-5,1121-92-2,Perhydroazocine,azocane,C1CCCNCCC1,C1CCCNCCC1,"InChI=1/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2",C7H15N,,,,,,QXNDZONIWRINJR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.041,214-344-6,1122-28-7,"1H-imidazole-4,5-dicarbonitrile","1H-imidazole-4,5-dicarbonitrile",N#Cc1nc[nH]c1C#N,N#Cc1nc[nH]c1C#N,"InChI=1/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)",C5H2N4,,,,,,XGDRLCRGKUCBQL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.044,214-347-2,1122-42-5,2-iodo-p-xylene,"2-iodo-1,4-dimethylbenzene",Cc1ccc(C)c(I)c1,Cc1ccc(C)c(I)c1,"InChI=1/C8H9I/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3",C8H9I,,,,,,WYZVNUSNUCABRF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.048,214-351-4,1122-56-1,Cyclohexanecarboxamide,cyclohexanecarboxamide,NC(=O)C1CCCCC1,NC(=O)C1CCCCC1,"InChI=1/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)",C7H13NO,,,,,,PNZXMIKHJXIPEK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.049,214-353-5,1122-58-3,"N,N-dimethylpyridin-4-amine","N,N-dimethylpyridin-4-amine",CN(C)c1ccncc1,CN(C)c1ccncc1,"InChI=1/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3",C7H10N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17217,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.049,VHYFNPMBLIVWCW-UHFFFAOYSA-N,Positive,SM883903,[M+H]+,HCD35,123.0914:108.0681:107.0602,CASMI_2016,,,,,
100.013.050,214-354-0,1122-60-7,Nitrocyclohexane,nitrocyclohexane,[O-][N+](=O)C1CCCCC1,[O-][N+](=O)C1CCCCC1,"InChI=1/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2",C6H11NO2,,,,,,NJNQUTDUIPVROZ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.055,214-359-8,1122-72-1,6-methylpyridine-2-carbaldehyde,6-methylpyridine-2-carbaldehyde,Cc1cccc(C=O)n1,Cc1cccc(C=O)n1,"InChI=1/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3",C7H7NO,,,,,,AHISYUZBWDSPQL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.057,214-361-9,1122-82-3,Cyclohexyl isothiocyanate,isothiocyanatocyclohexane,S=C=NC1CCCCC1,S=C=NC1CCCCC1,"InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2",C7H11NS,,,,,,MZSJGCPBOVTKHR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.062,214-367-1,1122-96-9,4-methoxypyridine N-oxide,4-methoxypyridine 1-oxide,COc1cc[n+]([O-])cc1,COc1cc[n+]([O-])cc1,"InChI=1/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3",C6H7NO2,,,,,,BOFAIBPJCWFJFT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.063,214-368-7,1123-00-8,Cyclopentylacetic acid,cyclopentylacetic acid,OC(=O)CC1CCCC1,OC(=O)CC1CCCC1,"InChI=1/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)",C7H12O2,,,,,,YVHAIVPPUIZFBA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.068,214-373-4,1123-40-6,"4,4-dimethylpiperidine-2,6-dione","4,4-dimethylpiperidine-2,6-dione",CC1(C)CC(=O)NC(=O)C1,CC1(C)CC(=O)NC(=O)C1,"InChI=1/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)",C7H11NO2,,,,,,YUJCWMGBRDBPDL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.070,214-376-0,1123-63-3,"4-chloro-2,6-xylenol","4-chloro-2,6-dimethylphenol",Cc1cc(Cl)cc(C)c1O,Cc1cc(Cl)cc(C)c1O,"InChI=1/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3",C8H9ClO,,,,,,VWYKSJIPZHRLNO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.076,214-382-3,1123-94-0,4-ethyl-m-cresol,4-ethyl-3-methylphenol,CCc1ccc(O)cc1C,CCc1ccc(O)cc1C,"InChI=1/C9H12O/c1-3-8-4-5-9(10)6-7(8)2/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,BUQNXFUMFXFRKC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.749,221-724-5,3211-80-1,"1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)acetone","1-(3,5,5-trimethylcyclohex-2-en-1-ylidene)acetone",CC1(C)CC(\\C)=C/C(=CC(C)=O)C1,CC1(C)CC(\C)=C/C(=CC(C)=O)C1,"InChI=1/C12H18O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5-6H,7-8H2,1-4H3",C12H18O,,,,,,BPMFQXXZWSBLRP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.286,225-614-8,4971-46-4,Potassium bis(2-ethylhexyl) phosphate,potassium bis(2-ethylhexyl) phosphate,[K+].CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC,[K+].CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC,"InChI=1/C16H35O4P.K/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+1/p-1",C16H35O4P.K,,,,,,VDWRBVKXEXWMIT-UHFFFAOYSA-M,,,,,,,,,,,
100.023.287,225-615-3,4971-47-5,Ammonium bis(2-ethylhexyl) phosphate,ammonium bis(2-ethylhexyl) phosphate,[NH4+].CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC,[NH4+].CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC,"InChI=1/C16H35O4P.H3N/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);1H3",C16H35O4P.H3N,,,,,,AIJDCDQXDPERNG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.296,225-625-8,4979-32-2,"N,N-dicyclohexylbenzothiazole-2-sulphenamide","N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylcyclohexanamine",C1CCC(CC1)N(Sc2nc3ccccc3s2)C4CCCCC4,C1CCC(CC1)N(Sc2nc3ccccc3s2)C4CCCCC4,"InChI=1/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2",C19H26N2S2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14313,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.296,CMAUJSNXENPPOF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.302,225-632-6,4981-64-0,4'-bromobutyrophenone,1-(4-bromophenyl)butan-1-one,CCCC(=O)c1ccc(Br)cc1,CCCC(=O)c1ccc(Br)cc1,"InChI=1/C10H11BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3",C10H11BrO,,,,,,HOIDKJFWEVIJAT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.310,225-641-5,4985-70-0,1-chloroanthracene,1-chloroanthracene,Clc1cccc2cc3ccccc3cc12,Clc1cccc2cc3ccccc3cc12,InChI=1/C14H9Cl/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,C14H9Cl,,,,,,SRIHSAFSOOUEGL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.313,225-644-1,4986-89-4,"2,2-bis[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate","3-(acryloyloxy)-2,2-bis[(acryloyloxy)methyl]propyl acrylate (non-preferred name)",C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C17H20O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h5-8H,1-4,9-12H2",C17H20O8,,,,,,KNSXNCFKSZZHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.318,225-649-9,4989-59-7,"2,3-di-3-pyridylbutane-2,3-diol","2,3-dipyridin-3-ylbutane-2,3-diol",CC(O)(c1cccnc1)C(C)(O)c2cccnc2,CC(O)(c1cccnc1)C(C)(O)c2cccnc2,"InChI=1/C14H16N2O2/c1-13(17,11-5-3-7-15-9-11)14(2,18)12-6-4-8-16-10-12/h3-10,17-18H,1-2H3",C14H16N2O2,,,,,,VVMJKASGEROCDA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.323,225-655-1,4995-54-4,"4,5,6-triethoxy-7-nitrophthalide","4,5,6-triethoxy-7-nitro-2-benzofuran-1(3H)-one",CCOc1c2COC(=O)c2c(c(OCC)c1OCC)[N+](=O)[O-],CCOc1c2COC(=O)c2c(c(OCC)c1OCC)[N+](=O)[O-],"InChI=1/C14H17NO7/c1-4-19-11-8-7-22-14(16)9(8)10(15(17)18)12(20-5-2)13(11)21-6-3/h4-7H2,1-3H3",C14H17NO7,,,,,,FTLVJOVZLDLKLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.329,225-661-4,4998-76-9,Cyclohexylammonium chloride,cyclohexanaminium chloride,[Cl-].[NH3+]C1CCCCC1,[Cl-].[NH3+]C1CCCCC1,"InChI=1/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H",C6H13N.ClH,,,,,,ZJUGSKJHHWASAF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.332,225-665-6,5000-46-4,1-(methylsulphonyl)acetone,1-(methylsulfonyl)acetone,CC(=O)CS(=O)(=O)C,CC(=O)CS(=O)(=O)C,"InChI=1/C4H8O3S/c1-4(5)3-8(2,6)7/h3H2,1-2H3",C4H8O3S,,,,,,NWEYGXQKFVGUFR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.095,217-704-0,1934-92-5,N-methylbenzanilide,N-methyl-N-phenylbenzamide,CN(C(=O)c1ccccc1)c2ccccc2,CN(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H13NO/c1-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11H,1H3",C14H13NO,,,,,,LCOPCEDFGGUYRD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.100,217-709-8,1937-35-5,"Disodium 4-amino-3-[[4'-[(2-amino-8-hydroxy-6-sulphonatonaphthyl)azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1-sulphonate",disodium 4-amino-3-({4'-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O)c(N)c6ccccc56,[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O)c(N)c6ccccc56,"InChI=1/C32H24N6O7S2.2Na/c33-26-14-9-20-15-23(46(40,41)42)16-28(39)30(20)32(26)38-36-22-12-7-19(8-13-22)18-5-10-21(11-6-18)35-37-27-17-29(47(43,44)45)24-3-1-2-4-25(24)31(27)34;;/h1-17,39H,33-34H2,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C32H24N6O7S2.2Na,,,,,,NDHOYLRUTRKFBM-UHFFFAOYSA-L,,,,,,,,,,,
100.016.102,217-711-9,1937-40-2,Sodium 5-[(4-amino-5-methoxy-o-tolyl)azo]-2-methoxybenzenesulphonate,sodium 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzenesulfonate,[Na+].Nc1cc(C)c(cc1OC)N=Nc2ccc(OC)c(c2)S([O-])(=O)=O,[Na+].Nc1cc(C)c(cc1OC)N=Nc2ccc(OC)c(c2)S([O-])(=O)=O,"InChI=1/C15H17N3O5S.Na/c1-9-6-11(16)14(23-3)8-12(9)18-17-10-4-5-13(22-2)15(7-10)24(19,20)21;/h4-8H,16H2,1-3H3,(H,19,20,21);/q;+1/p-1",C15H17N3O5S.Na,,,,,,VEZPAKWJFJTJJA-UHFFFAOYSA-M,,,,,,,,,,,
100.016.107,217-717-1,1939-99-7,Toluene-a-sulphonyl chloride,phenylmethanesulfonyl chloride,ClS(=O)(=O)Cc1ccccc1,ClS(=O)(=O)Cc1ccccc1,"InChI=1/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7ClO2S,,,,,,OAHKWDDSKCRNFE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.469,218-115-1,2051-24-3,"Decachloro-1,1'-biphenyl",decachlorobiphenyl,Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,InChI=1/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16,C12Cl10,,,,,,ONXPZLFXDMAPRO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.470,218-116-7,2051-28-7,Decahydroquinoline,decahydroquinoline,C1CCC2NCCCC2C1,C1CCC2NCCCC2C1,"InChI=1/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2",C9H17N,,,,,,POTIYWUALSJREP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.471,218-117-2,2051-31-2,Decan-4-ol,decan-4-ol,CCCCCCC(O)CCC,CCCCCCC(O)CCC,"InChI=1/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3",C10H22O,,,,,,DTDMYWXTWWFLGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.474,218-120-9,2051-38-9,sec-butyl isovalerate,sec-butyl 3-methylbutanoate,CCC(C)OC(=O)CC(C)C,CCC(C)OC(=O)CC(C)C,"InChI=1/C9H18O2/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,QPZJVNQNKWDDEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.480,218-127-7,2051-62-9,4-chlorobiphenyl,4-chlorobiphenyl,Clc1ccc(cc1)c2ccccc2,Clc1ccc(cc1)c2ccccc2,InChI=1/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,C12H9Cl,,,,,,FPWNLURCHDRMHC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.481,218-128-2,2051-76-5,Acrylic anhydride,acrylic anhydride,C=CC(=O)OC(=O)C=C,C=CC(=O)OC(=O)C=C,"InChI=1/C6H6O3/c1-3-5(7)9-6(8)4-2/h3-4H,1-2H2",C6H6O3,,,,,,ARJOQCYCJMAIFR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.485,218-132-4,2051-89-0,"4,4'-diamino[1,1'-biphenyl]-3-sulphonic acid","4,4'-diaminobiphenyl-3-sulfonic acid",Nc1ccc(cc1)c2ccc(N)c(c2)S(=O)(=O)O,Nc1ccc(cc1)c2ccc(N)c(c2)S(=O)(=O)O,"InChI=1/C12H12N2O3S/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)18(15,16)17/h1-7H,13-14H2,(H,15,16,17)",C12H12N2O3S,,,,,,FGQDYDZVRHQDIN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.493,218-141-3,5/07/2052,2-bromobiphenyl,2-bromobiphenyl,Brc1ccccc1c2ccccc2,Brc1ccccc1c2ccccc2,InChI=1/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,C12H9Br,,,,,,KTADSLDAUJLZGL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.494,218-142-9,2052-14-4,Butyl salicylate,butyl salicylate,CCCCOC(=O)c1ccccc1O,CCCCOC(=O)c1ccccc1O,"InChI=1/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3",C11H14O3,,,,,,YFDUWSBGVPBWKF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.495,218-143-4,2052-15-5,N-butyl 4-oxopentanoate,butyl 4-oxopentanoate,CCCCOC(=O)CCC(=O)C,CCCCOC(=O)CCC(=O)C,"InChI=1/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3",C9H16O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16413,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.495,ISBWNEKJSSLXOD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.499,218-148-1,2053-21-6,Sodium gallate,"sodium 3,4,5-trihydroxybenzoate",[Na+].Oc1cc(cc(O)c1O)C(=O)[O-],[Na+].Oc1cc(cc(O)c1O)C(=O)[O-],"InChI=1/C7H6O5.Na/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1",C7H6O5.Na,,,,,,FZHLWVUAICIIPW-UHFFFAOYSA-M,,,,,,,,,,,
100.019.874,221-861-0,3260-87-5,3-chloro-o-cresol,3-chloro-2-methylphenol,Cc1c(O)cccc1Cl,Cc1c(O)cccc1Cl,"InChI=1/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3",C7H7ClO,,,,,,WADQOGCINABPRT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.504,224-753-1,2/02/4476,2-hydroxybutyronitrile,2-hydroxybutanenitrile,CCC(O)C#N,CCC(O)C#N,"InChI=1/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3",C4H7NO,,,,,,NHSSTOSZJANVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.515,224-765-7,4482-70-6,"4,4',4''-methylidynetris[N,N-diethyl-m-toluidine]","4,4',4''-methanetriyltris(N,N-diethyl-3-methylaniline)",CCN(CC)c1ccc(C(c2ccc(cc2C)N(CC)CC)c3ccc(cc3C)N(CC)CC)c(C)c1,CCN(CC)c1ccc(C(c2ccc(cc2C)N(CC)CC)c3ccc(cc3C)N(CC)CC)c(C)c1,"InChI=1/C34H49N3/c1-10-35(11-2)28-16-19-31(25(7)22-28)34(32-20-17-29(23-26(32)8)36(12-3)13-4)33-21-18-30(24-27(33)9)37(14-5)15-6/h16-24,34H,10-15H2,1-9H3",C34H49N3,,,,,,OKJSFKIUVDXFMS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.517,224-767-8,4484-20-2,"Benzenesulphonic acid, compound with aniline (1:1)",aniline benzenesulfonate,Nc1ccccc1.OS(=O)(=O)c2ccccc2,Nc1ccccc1.OS(=O)(=O)c2ccccc2,"InChI=1/C6H7N.C6H6O3S/c7-6-4-2-1-3-5-6;7-10(8,9)6-4-2-1-3-5-6/h1-5H,7H2;1-5H,(H,7,8,9)",C6H7N.C6H6O3S,,,,,,NGYOVXUBIWJNIU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.518,224-768-3,4484-60-0,"2,2'-[iminobis(ethane-2,1-diylimino)]bisethanol","2,2'-[iminobis(ethane-2,1-diylimino)]diethanol",OCCNCCNCCNCCO,OCCNCCNCCNCCO,"InChI=1/C8H21N3O2/c12-7-5-10-3-1-9-2-4-11-6-8-13/h9-13H,1-8H2",C8H21N3O2,,,,,,UIVFIHRGZKHWHB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.524,224-775-1,4486-47-9,Tris(2-phenoxyethyl) phosphite,tris(2-phenoxyethyl) phosphite,C(COc1ccccc1)OP(OCCOc2ccccc2)OCCOc3ccccc3,C(COc1ccccc1)OP(OCCOc2ccccc2)OCCOc3ccccc3,"InChI=1/C24H27O6P/c1-4-10-22(11-5-1)25-16-19-28-31(29-20-17-26-23-12-6-2-7-13-23)30-21-18-27-24-14-8-3-9-15-24/h1-15H,16-21H2",C24H27O6P,,,,,,PXFYTECEPODOQX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.539,224-791-9,4497-58-9,"1,2,3,4-tetrahydro-2,2,4-trimethylquinoline","2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline",CC1CC(C)(C)Nc2ccccc12,CC1CC(C)(C)Nc2ccccc12,"InChI=1/C12H17N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-7,9,13H,8H2,1-3H3",C12H17N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16879,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.539,KSNRDYQOHXQKAB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.312,217-942-5,2015-14-7,N-[[4-(aminosulphonyl)phenyl]methyl]acetamide,N-(4-sulfamoylbenzyl)acetamide,CC(=O)NCc1ccc(cc1)S(=O)(=O)N,CC(=O)NCc1ccc(cc1)S(=O)(=O)N,"InChI=1/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)",C9H12N2O3S,,,,,,AHQONKCJXWTTOW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.314,217-944-6,2015-28-3,4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazine-1-ethanol dihydrochloride,2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol dihydrochloride,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C21H26ClN3OS.2ClH/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;;/h1-2,4-7,16,26H,3,8-15H2;2*1H",C21H26ClN3OS.2ClH,,,,,,JGTYANSBOIVAMH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.316,217-946-7,8/04/2016,"1,1-bis(benzyloxy)trimethylamine","1,1-bis(benzyloxy)-N,N-dimethylmethanamine",CN(C)C(OCc1ccccc1)OCc2ccccc2,CN(C)C(OCc1ccccc1)OCc2ccccc2,"InChI=1/C17H21NO2/c1-18(2)17(19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3",C17H21NO2,,,,,,JFIKHFNGAURIIB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.320,217-950-9,2016-42-4,Tetradecylamine,tetradecan-1-amine,CCCCCCCCCCCCCCN,CCCCCCCCCCCCCCN,"InChI=1/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3",C14H31N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16644,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.320,PLZVEHJLHYMBBY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.321,217-951-4,2016-45-7,Hexadecyldimethylammonium chloride,"N,N-dimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[NH+](C)C,[Cl-].CCCCCCCCCCCCCCCC[NH+](C)C,"InChI=1/C18H39N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H",C18H39N.ClH,,,,,,URXQDXAVUYKSCK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.704,221-673-9,3182-93-2,Ethyl L-phenylalaninate hydrochloride,ethyl L-phenylalaninate hydrochloride,Cl.CCOC(=O)[C@@H](N)Cc1ccccc1,Cl.CCOC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C11H15NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H",C11H15NO2.ClH,,,,,,FPFQPLFYTKMCHN-PPHPATTJSA-N,,,,,,,,,,,
100.019.711,221-681-2,3184-65-4,Sodium 2-benzyl-4-chlorophenolate,sodium 2-benzyl-4-chlorophenolate,[Na+].[O-]c1ccc(Cl)cc1Cc2ccccc2,[Na+].[O-]c1ccc(Cl)cc1Cc2ccccc2,"InChI=1/C13H11ClO.Na/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10;/h1-7,9,15H,8H2;/q;+1/p-1",C13H11ClO.Na,,,,,,IKTQYDFRYXBKPM-UHFFFAOYSA-M,,,,,,,,,,,
100.019.712,221-682-8,3185-99-7,p-(methylsulphonyl)toluene,1-methyl-4-(methylsulfonyl)benzene,Cc1ccc(cc1)S(=O)(=O)C,Cc1ccc(cc1)S(=O)(=O)C,"InChI=1/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3",C8H10O2S,,,,,,YYDNBUBMBZRNQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.713,221-683-3,3187-19-7,"4,6-dimethoxysalicylic acid","2-hydroxy-4,6-dimethoxybenzoic acid",COc1cc(O)c(C(=O)O)c(OC)c1,COc1cc(O)c(C(=O)O)c(OC)c1,"InChI=1/C9H10O5/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/h3-4,10H,1-2H3,(H,11,12)",C9H10O5,,,,,,LEIJLTBRQHFMDL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.717,221-688-0,3188-83-8,5-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]-2-(oxiranylmethoxy)benzyl alcohol,[5-{1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl}-2-(oxiran-2-ylmethoxy)phenyl]methanol,CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)c(CO)c3,CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)c(CO)c3,"InChI=1/C22H26O5/c1-22(2,16-3-6-18(7-4-16)24-11-19-12-25-19)17-5-8-21(15(9-17)10-23)27-14-20-13-26-20/h3-9,19-20,23H,10-14H2,1-2H3",C22H26O5,,,,,,KKMOOTHADALRAT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.718,221-689-6,3189-13-7,6-methoxy-1H-indole,6-methoxy-1H-indole,COc1ccc2cc[nH]c2c1,COc1ccc2cc[nH]c2c1,"InChI=1/C9H9NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3",C9H9NO,,,,,,QJRWYBIKLXNYLF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.721,221-692-2,3190-70-3,"(S)-4-isopropyloxazolidine-2,5-dione","4-isopropyl-1,3-oxazolidine-2,5-dione",CC(C)[C@@H]1NC(=O)OC1=O,CC(C)[C@@H]1NC(=O)OC1=O,"InChI=1/C6H9NO3/c1-3(2)4-5(8)10-6(9)7-4/h3-4H,1-2H3,(H,7,9)",C7H11NO3,,,,,,XNCNNYXFGGTEMT-BYPYZUCNSA-N,,,,,,,,,,,
100.019.726,221-698-5,3195-78-6,N-methyl-N-vinylacetamide,N-methyl-N-vinylacetamide,CN(C=C)C(=O)C,CN(C=C)C(=O)C,"InChI=1/C5H9NO/c1-4-6(3)5(2)7/h4H,1H2,2-3H3",C5H9NO,,,,,,PNLUGRYDUHRLOF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.730,221-703-0,4/06/3200,Diethyl[2-[2-(1-naphthylmethyl)-3-(tetrahydro-2-furyl)propionyloxy]ethyl]ammonium hydrogen oxalate,"N,N-diethyl-2-{[3-(1-naphthyl)-2-(tetrahydrofuran-2-ylmethyl)propanoyl]oxy}ethanaminium hydrogen oxalate",CC[NH+](CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23.[O-]C(=O)C(=O)[O-],CC[NH+](CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23.[O-]C(=O)C(=O)[O-],"InChI=1/C24H33NO3.C2H2O4/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20;3-1(4)2(5)6/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3;(H,3,4)(H,5,6)/p-1",C24H33NO3.C2H2O4,,,,,,SSAJNPNVUYMUCI-UHFFFAOYSA-M,,,,,,,,,,,
100.019.733,221-706-7,3204-27-1,"2-tert-butyl-4,6-dinitrophenyl acetate","2-tert-butyl-4,6-dinitrophenyl acetate",CC(=O)Oc1c(cc(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],CC(=O)Oc1c(cc(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H14N2O6/c1-7(15)20-11-9(12(2,3)4)5-8(13(16)17)6-10(11)14(18)19/h5-6H,1-4H3",C12H14N2O6,,,,,,BMJYKXALMDAIEG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.735,221-708-8,3204-73-7,Methyl p-(2-hydroxyethoxy)benzoate,methyl 4-(2-hydroxyethoxy)benzoate,COC(=O)c1ccc(OCCO)cc1,COC(=O)c1ccc(OCCO)cc1,"InChI=1/C10H12O4/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5,11H,6-7H2,1H3",C10H12O4,,,,,,VFBYWNSASHHPPA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.077,214-383-9,1123-96-2,"2-ethyl-3,5-dimethylpyridine","2-ethyl-3,5-dimethylpyridine",CCc1ncc(C)cc1C,CCc1ncc(C)cc1C,"InChI=1/C9H13N/c1-4-9-8(3)5-7(2)6-10-9/h5-6H,4H2,1-3H3",C9H13N,,,,,,QLUUXTUCKOZMEL-UHFFFAOYSA-N,,,,,,,,,,,
100.013.084,214-391-2,1124-11-4,"2,3,5,6-tetramethylpyrazine",tetramethylpyrazine,Cc1nc(C)c(C)nc1C,Cc1nc(C)c(C)nc1C,InChI=1/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3,C8H12N2,,,,,,FINHMKGKINIASC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.911,231-802-0,7739-61-9,Potassium octadecyl sulphate,potassium octadecyl sulfate,[K+].CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[K+].CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C18H38O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1",C18H38O4S.K,,,,,,PFMVLFSAAABWQD-UHFFFAOYSA-M,,,,,,,,,,,
100.028.912,231-803-6,7739-63-1,Potassium decyl sulphate,potassium decyl sulfate,[K+].CCCCCCCCCCOS(=O)(=O)[O-],[K+].CCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C10H22O4S.K/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1",C10H22O4S.K,,,,,,JTXIPOLAHSBNJM-UHFFFAOYSA-M,,,,,,,,,,,
100.028.918,231-809-9,7745-93-9,2-bromo-4-nitrotoluene,2-bromo-1-methyl-4-nitrobenzene,Cc1ccc(cc1Br)[N+](=O)[O-],Cc1ccc(cc1Br)[N+](=O)[O-],"InChI=1/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3",C7H6BrNO2,,,,,,XFZFJQHXWJIBQV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.927,231-819-3,7757-81-5,"Sodium (E,E)-hexa-2,4-dienoate","sodium hexa-2,4-dienoate",[Na+].C\\C=C\\C=C\\C(=O)[O-],[Na+].C\C=C\C=C\C(=O)[O-],"InChI=1/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1",C6H8O2.Na,,,,,,LROWVYNUWKVTCU-STWYSWDKSA-M,,,,,,,,,,,
100.028.932,231-825-6,7757-88-2,Magnesium sulphite,magnesium sulfite,[Mg+2].[O-]S(=O)[O-],[Mg+2].[O-]S(=O)[O-],"InChI=1/Mg.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",H2O3S.Mg,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7214,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.932,JESHZQPNPCJVNG-UHFFFAOYSA-L,,,,,,,,,,,
100.028.945,231-839-2,7758-79-4,N-(isoxazol-5-yl)sulphanilamide,4-amino-N-isoxazol-5-ylbenzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2oncc2,Nc1ccc(cc1)S(=O)(=O)Nc2oncc2,"InChI=1/C9H9N3O3S/c10-7-1-3-8(4-2-7)16(13,14)12-9-5-6-11-15-9/h1-6,12H,10H2",C9H9N3O3S,,,,,,CVLLLVDWOLWLPK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.952,231-847-6,"7758-98-7, 7758-99-8",Copper sulphate,copper(2+) sulfate,[Cu+2].[O-]S([O-])(=O)=O,[Cu+2].[O-]S([O-])(=O)=O,"InChI=1/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Cu.H2O4S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15416,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.952,ARUVKPQLZAKDPS-UHFFFAOYSA-L,,,,,,,,,,,
100.028.962,231-858-6,9/11/7765,N-(chloroacetyl)-3-phenyl-DL-alanine,N-(chloroacetyl)phenylalanine,OC(=O)[C@@H](NC(=O)CCl)Cc1ccccc1,OC(=O)[C@@H](NC(=O)CCl)Cc1ccccc1,"InChI=1/C11H12ClNO3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)",C11H12ClNO3,,,,,,FUHGSOAURCZWCC-VIFPVBQESA-N,,,,,,,,,,,
100.013.859,215-244-5,1314-84-7,Trizinc diphosphide,zinc bis[zinciophosphate(1-)],[Zn]=P[Zn]P=[Zn],[Zn]=P[Zn]P=[Zn],InChI=1/2P.3Zn/rP2Zn3/c3-1-5-2-4,P2Zn3,,,,,,NQDYSWQRWWTVJU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.904,215-293-2,1319-77-3,Cresol,p-cresol,Cc1ccc(O)cc1,Cc1ccc(O)cc1,"InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",C7H8O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12630,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.904,IWDCLRJOBJJRNH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.907,215-296-9,1320-07-6,"Sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate","sodium 4-({3-[(2,3-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)benzenesulfonate",[Na+].Oc2c(ccc(O)c2N=Nc1cccc(C)c1C)N=Nc3ccc(cc3)S([O-])(=O)=O,[Na+].Oc2c(ccc(O)c2N=Nc1cccc(C)c1C)N=Nc3ccc(cc3)S([O-])(=O)=O,"InChI=1/C20H18N4O5S.Na/c1-12-4-3-5-16(13(12)2)22-24-19-18(25)11-10-17(20(19)26)23-21-14-6-8-15(9-7-14)30(27,28)29;/h3-11,25-26H,1-2H3,(H,27,28,29);/q;+1/p-1",C20H18N4O5S.Na,,,,,,PWHBDORZBPMMKL-UHFFFAOYSA-M,,,,,,,,,,,
100.013.909,215-299-5,1320-16-7,tert-butylbenzoic acid,2-tert-butylbenzoic acid,CC(C)(C)c1ccccc1C(=O)O,CC(C)(C)c1ccccc1C(=O)O,"InChI=1/C11H14O2/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)",C11H14O2,,,,,,ZDFKSZDMHJHQHS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.382,225-719-9,5028-81-9,N-[3-(2-hydroxy-2-phenylethyl)-2-thiazolidinylidene]acetamide,"N-[3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide",O=C(C)N=C2SCCN2CC(O)c1ccccc1,O=C(C)N=C2SCCN2CC(O)c1ccccc1,"InChI=1/C13H16N2O2S/c1-10(16)14-13-15(7-8-18-13)9-12(17)11-5-3-2-4-6-11/h2-6,12,17H,7-9H2,1H3",C13H16N2O2S,,,,,,DPCPMQDXCUSGFW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.385,225-723-0,5031-83-4,"2,4-diphenylcrotonaldehyde","2,4-diphenylbut-2-enal",O=C\\C(=C\\Cc1ccccc1)\\c2ccccc2,O=C\C(=C\Cc1ccccc1)\c2ccccc2,"InChI=1/C16H14O/c17-13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,12-13H,11H2",C16H14O,,,,,,AXZDPAXJQHIRTE-VBKFSLOCSA-N,,,,,,,,,,,
100.023.386,225-724-6,5034-06-0,Trimethyloxosulphonium chloride,trimethyloxosulphonium chloride,[Cl-].C[S+](C)(C)=O,[Cl-].C[S+](C)(C)=O,"InChI=1/C3H9OS.ClH/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1",C3H9OS.Cl,,,,,,KQYWHJICYXXDSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.016.109,217-719-2,1940-42-7,"4-bromo-2,5-dichlorophenol","4-bromo-2,5-dichlorophenol",Oc1cc(Cl)c(Br)cc1Cl,Oc1cc(Cl)c(Br)cc1Cl,"InChI=1/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",C6H3BrCl2O,,,,,,HWWKEEKUMAZJLL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.115,217-726-0,1941-27-1,Tetrabutylammonium nitrate,"N,N,N-tributylbutan-1-aminium nitrate",CCCC[N+](CCCC)(CCCC)CCCC.[O-][N+](=O)[O-],CCCC[N+](CCCC)(CCCC)CCCC.[O-][N+](=O)[O-],"InChI=1/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1",C16H36N.NO3,,,,,,QHOKENWFMZXSEU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.124,217-736-5,1943-84-6,Hexadecyl isocyanate,1-isocyanatohexadecane,CCCCCCCCCCCCCCCCN=C=O,CCCCCCCCCCCCCCCCN=C=O,"InChI=1/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3",C17H33NO,,,,,,GFLXBRUGMACJLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.003,223-102-9,3735-84-0,"2-(dimethylamino)ethyl (3ß,19a,20a)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate dihydrochloride","2-(dimethylamino)ethyl 10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate dihydrochloride",Cl.Cl.COc1cc2[nH]c3[C@H]4C[C@H]5[C@@H](CN4CCc3c2cc1OC)[C@H](C)OC=C5C(=O)OCCN(C)C,Cl.Cl.COc1cc2[nH]c3[C@H]4C[C@H]5[C@@H](CN4CCc3c2cc1OC)[C@H](C)OC=C5C(=O)OCCN(C)C,"InChI=1/C26H35N3O5.2ClH/c1-15-19-13-29-7-6-16-18-11-23(31-4)24(32-5)12-21(18)27-25(16)22(29)10-17(19)20(14-34-15)26(30)33-9-8-28(2)3;;/h11-12,14-15,17,19,22,27H,6-10,13H2,1-5H3;2*1H",C26H35N3O5.2ClH,,,,,,RDKIYVYHCBJDMF-DGCKWTARSA-N,,,,,,,,,,,
100.016.326,217-957-7,2016-57-1,Decylamine,decan-1-amine,CCCCCCCCCCN,CCCCCCCCCCN,"InChI=1/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3",C10H23N,,,,,,MHZGKXUYDGKKIU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.332,217-964-5,2019-42-3,"1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diiodide","1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) diiodide",[I-].[I-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34,[I-].[I-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34,"InChI=1/C30H38N4.2HI/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H",C30H40N4.2I,,,,,,BTXPITUAZUILEM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.335,217-967-1,2021-58-1,ß-2-thienyl-DL-alanine,3-(2-thienyl)alanine,NC(Cc1cccs1)C(=O)O,NC(Cc1cccs1)C(=O)O,"InChI=1/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)",C7H9NO2S,,,,,,WTOFYLAWDLQMBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.337,217-969-2,2024-83-1,Veratronitrile,"3,4-dimethoxybenzonitrile",COc1ccc(cc1OC)C#N,COc1ccc(cc1OC)C#N,"InChI=1/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H3",C9H9NO2,,,,,,OSEQIDSFSBWXRE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.338,217-970-8,2024-88-6,Isopropylidenedi-p-phenylene bis(chloroformate),"propane-2,2-diyldi-4,1-phenylene dichlorocarbonate",CC(C)(c1ccc(OC(=O)Cl)cc1)c2ccc(OC(=O)Cl)cc2,CC(C)(c1ccc(OC(=O)Cl)cc1)c2ccc(OC(=O)Cl)cc2,"InChI=1/C17H14Cl2O4/c1-17(2,11-3-7-13(8-4-11)22-15(18)20)12-5-9-14(10-6-12)23-16(19)21/h3-10H,1-2H3",C17H14Cl2O4,,,,,,MMWCQWOKHLEYSP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.348,217-981-8,2031-23-4,1-(3-chloropropyl)-4-methylpiperazine dihydrochloride,1-(3-chloropropyl)-4-methylpiperazine dihydrochloride,Cl.Cl.CN1CCN(CCCCl)CC1,Cl.Cl.CN1CCN(CCCCl)CC1,"InChI=1/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H",C8H17ClN2.2ClH,,,,,,RRZYWKLLIIIINP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.351,217-984-4,2031-79-0,Hexaethylcyclotrisiloxane,"2,2,4,4,6,6-hexaethyl-1,3,5,2,4,6-trioxatrisilinane",CC[Si]1(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1,CC[Si]1(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1,"InChI=1/C12H30O3Si3/c1-7-16(8-2)13-17(9-3,10-4)15-18(11-5,12-6)14-16/h7-12H2,1-6H3",C12H30O3Si3,,,,,,KMPBCFZCRNKXSA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.360,217-994-9,2033-76-3,1-(2-bromoethoxy)-4-chlorobenzene,1-(2-bromoethoxy)-4-chlorobenzene,Clc1ccc(OCCBr)cc1,Clc1ccc(OCCBr)cc1,"InChI=1/C8H8BrClO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2",C8H8BrClO,,,,,,YYFLBDSMQRWARK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.365,218-000-6,2035-72-5,4-benzoyl-3-hydroxyphenyl methacrylate,4-benzoyl-3-hydroxyphenyl methacrylate,CC(=C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1,CC(=C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C17H14O4/c1-11(2)17(20)21-13-8-9-14(15(18)10-13)16(19)12-6-4-3-5-7-12/h3-10,18H,1H2,2H3",C17H14O4,,,,,,IMNBHNRXUAJVQE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.369,218-004-8,2035-99-6,Isopentyl octanoate,3-methylbutyl octanoate,CCCCCCCC(=O)OCCC(C)C,CCCCCCCC(=O)OCCC(C)C,"InChI=1/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3",C13H26O2,,,,,,XKWSWANXMRXDES-UHFFFAOYSA-N,,,,,,,,,,,
100.016.371,218-006-9,2036-41-1,5-methylpyrimidine,5-methylpyrimidine,Cc1cncnc1,Cc1cncnc1,"InChI=1/C5H6N2/c1-5-2-6-4-7-3-5/h2-4H,1H3",C5H6N2,,,,,,TWGNOYAGHYUFFR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.128,224-340-6,4316-93-2,"4,6-dichloro-5-nitro-pyridine","2,4-dichloro-3-nitropyridine",[O-][N+](=O)c1c(Cl)ccnc1Cl,[O-][N+](=O)c1c(Cl)ccnc1Cl,InChI=1/C5H2Cl2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H,C4HCl2N3O2,,,,,,RTXYIHGMYDJHEU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.129,224-341-1,4316-98-7,"6-chloropyrimidine-4,5-diamine","6-chloropyrimidine-4,5-diamine",Nc1ncnc(Cl)c1N,Nc1ncnc(Cl)c1N,"InChI=1/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)",C4H5ClN4,,,,,,VNSFICAUILKARD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.540,224-792-4,4497-92-1,"(1S-cis)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene","3,7,7-trimethylbicyclo[4.1.0]hept-2-ene",CC1=C[C@H]2[C@H](CC1)C2(C)C,CC1=C[C@H]2[C@H](CC1)C2(C)C,"InChI=1/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3",C10H16,,,,,,IBVJWOMJGCHRRW-IUCAKERBSA-N,,,,,,,,,,,
100.015.841,217-424-9,1845-44-9,2-(isopropyl)-5-methylcyclohexanecarbaldehyde,2-isopropyl-5-methylcyclohexanecarbaldehyde,CC(C)C1CCC(C)CC1C=O,CC(C)C1CCC(C)CC1C=O,"InChI=1/C11H20O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h7-11H,4-6H2,1-3H3",C11H20O,,,,,,AUABNXZOGNPUSY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.844,217-428-0,1847-24-1,"Sodium [2S-(2a,5a,6ß)]-6-[[[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 6-({[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",Cc1onc(c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O[Na])c4c(F)cccc4Cl,Cc1onc(c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O[Na])c4c(F)cccc4Cl,"InChI=1/C19H17ClFN3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1",C19H17ClFN3O5S.Na,,,,,,OTEANHMVDHZOPB-UHFFFAOYSA-M,,,,,,,,,,,
100.015.848,217-432-2,1847-84-3,Ethyl 2-methoxyphenyl carbonate,ethyl 2-methoxyphenyl carbonate,CCOC(=O)Oc1ccccc1OC,CCOC(=O)Oc1ccccc1OC,"InChI=1/C10H12O4/c1-3-13-10(11)14-9-7-5-4-6-8(9)12-2/h4-7H,3H2,1-2H3",C10H12O4,,,,,,OFDKFNZHXJWFNS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.851,217-435-9,1849-29-2,(2H3)methanol,methanol,CO,CO,"InChI=1/CH4O/c1-2/h2H,1H3",CHD3O,,,,,,OKKJLVBELUTLKV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.856,217-441-1,1852-14-8,Ethylenediurea,"N,N''-ethane-1,2-diyldiurea",NC(=O)NCCNC(=O)N,NC(=O)NCCNC(=O)N,"InChI=1/C4H10N4O2/c5-3(9)7-1-2-8-4(6)10/h1-2H2,(H3,5,7,9)(H3,6,8,10)",C4H10N4O2,,,,,,ZUTJDJAXWKOOOI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.857,217-442-7,1852-16-0,N-(butoxymethyl)acrylamide,N-(butoxymethyl)acrylamide,CCCCOCNC(=O)C=C,CCCCOCNC(=O)C=C,"InChI=1/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)",C8H15NO2,,,,,,UTSYWKJYFPPRAP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.860,217-445-3,1852-21-7,"Tetrahydro-5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one","5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one",OCCN1CN(CO)C(=O)N(CO)C1,OCCN1CN(CO)C(=O)N(CO)C1,"InChI=1/C7H15N3O4/c11-2-1-8-3-9(5-12)7(14)10(4-8)6-13/h11-13H,1-6H2",C7H15N3O4,,,,,,PGGPMGYZMXPCOB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.863,217-449-5,1853-88-9,"6-benzyl-1,3,5-triazine-2,4-diamine","6-benzyl-1,3,5-triazine-2,4-diamine",Nc1nc(N)nc(Cc2ccccc2)n1,Nc1nc(N)nc(Cc2ccccc2)n1,"InChI=1/C10H11N5/c11-9-13-8(14-10(12)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,11,12,13,14,15)",C10H11N5,,,,,,GNOXQMPUXDWYPS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.865,217-451-6,1854-26-8,"4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one","4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one",OCN1C(O)C(O)N(CO)C1=O,OCN1C(O)C(O)N(CO)C1=O,"InChI=1/C5H10N2O5/c8-1-6-3(10)4(11)7(2-9)5(6)12/h3-4,8-11H,1-2H2",C5H10N2O5,,,,,,ZEYUSQVGRCPBPG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.879,217-466-8,1862-61-9,"Methyl (Z)-3,7-dimethylocta-2,6-dienoate","methyl 3,7-dimethylocta-2,6-dienoate",COC(=O)\\C=C(\\C)/CCC=C(C)C,COC(=O)\C=C(\C)/CCC=C(C)C,"InChI=1/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3",C11H18O2,,,,,,ACOBBFVLNKYODD-NTMALXAHSA-N,,,,,,,,,,,
100.015.880,217-467-3,1863-39-4,"3-ß,17-a-dihydroxypregn-5-en-20-one 3-acetate",17-hydroxy-20-oxopregn-5-en-3-yl acetate,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)C(=O)C)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)C(=O)C)[C@@H]3CC=C2C1,"InChI=1/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3",C23H34O4,,,,,,IQCNQJXIOWBNAT-KIYFCUGLSA-N,,,,,,,,,,,
100.015.884,217-472-0,1864-97-7,4-methylphenyl formate,4-methylphenyl formate,Cc1ccc(OC=O)cc1,Cc1ccc(OC=O)cc1,"InChI=1/C8H8O2/c1-7-2-4-8(5-3-7)10-6-9/h2-6H,1H3",C8H8O2,,,,,,NEIANUMOAXBNRT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.885,217-473-6,1865-01-6,4-nitrophenyl formate,4-nitrophenyl formate,[O-][N+](=O)c1ccc(OC=O)cc1,[O-][N+](=O)c1ccc(OC=O)cc1,InChI=1/C7H5NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5H,C7H5NO4,,,,,,IEXRKQFZXJSHOB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.886,217-474-1,1866-15-5,2-acetylthioethyltrimethylammonium iodide,"2-(acetylsulfanyl)-N,N,N-trimethylethanaminium iodide",[I-].CC(=O)SCC[N+](C)(C)C,[I-].CC(=O)SCC[N+](C)(C)C,"InChI=1/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",C7H16NOS.I,,,,,,NTBLZMAMTZXLBP-UHFFFAOYSA-M,,,,,,,,,,,
100.019.736,221-709-3,3206-31-3,Triethyl nitrilotricarboxylate,diethyl (ethoxycarbonyl)imidodicarbonate,CCOC(=O)N(C(=O)OCC)C(=O)OCC,CCOC(=O)N(C(=O)OCC)C(=O)OCC,"InChI=1/C9H15NO6/c1-4-14-7(11)10(8(12)15-5-2)9(13)16-6-3/h4-6H2,1-3H3",C9H15NO6,,,,,,WMXDFLUIDJYHMF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.741,221-715-6,3208-40-0,2-(3-phenylpropyl)tetrahydrofuran,2-(3-phenylpropyl)tetrahydrofuran,C(CC1CCCO1)Cc2ccccc2,C(CC1CCCO1)Cc2ccccc2,"InChI=1/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2",C13H18O,,,,,,PBXKRPSGIACPQF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.743,221-717-7,3209-22-1,"1,2-dichloro-3-nitrobenzene","1,2-dichloro-3-nitrobenzene",[O-][N+](=O)c1cccc(Cl)c1Cl,[O-][N+](=O)c1cccc(Cl)c1Cl,InChI=1/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,C6H3Cl2NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1956,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.743,CMVQZRLQEOAYSW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.744,221-718-2,3209-30-1,"Disodium 4,4'-[(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthrylene)diimino]bis[toluene-3-sulphonate]","disodium 2,2'-[(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]bis(5-methylbenzenesulfonate)",Cc1ccc(Nc2ccc(O)c3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)O[Na])ccc(O)c4C(=O)c23)c(c1)S(=O)(=O)O[Na],Cc1ccc(Nc2ccc(O)c3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)O[Na])ccc(O)c4C(=O)c23)c(c1)S(=O)(=O)O[Na],"InChI=1/C28H22N2O10S2.2Na/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-9-19(31)25-23(17)27(33)26-20(32)10-8-18(24(26)28(25)34)30-16-6-4-14(2)12-22(16)42(38,39)40;;/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/rC28H20N2Na2O10S2/c1-13-3-5-15(21(11-13)43(37,38)41-31)29-17-7-9-19(33)25-23(17)27(35)26-20(34)10-8-18(24(26)28(25)36)30-16-6-4-14(2)12-22(16)44(39,40)42-32/h3-12,29-30,33-34H,1-2H3",C28H22N2O10S2.2Na,,,,,,LSOBEVFVUSIMGA-UHFFFAOYSA-L,,,,,,,,,,,
100.023.291,225-620-0,4973-29-9,p-phenoxystyrene,1-phenoxy-4-vinylbenzene,C=Cc1ccc(Oc2ccccc2)cc1,C=Cc1ccc(Oc2ccccc2)cc1,"InChI=1/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2",C14H12O,,,,,,UULPGUKSBAXNJN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.293,225-622-1,4975-73-9,"N,N'-dicyclohexylmorpholine-4-carboxamidine","N,N'-dicyclohexylmorpholine-4-carboximidamide",N(C1CCCCC1)=C(NC2CCCCC2)N3CCOCC3,N(C1CCCCC1)=C(NC2CCCCC2)N3CCOCC3,"InChI=1/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)",C17H31N3O,,,,,,OZNYZQOTXQSUJM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.294,225-623-7,8/11/4976,"3,6-dihydro-4-phenyl-2H-pyridine-1-ethanol hydrochloride","2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethanol hydrochloride",Cl.OCCN1CCC(=CC1)c2ccccc2,Cl.OCCN1CCC(=CC1)c2ccccc2,"InChI=1/C13H17NO.ClH/c15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12;/h1-6,15H,7-11H2;1H",C13H17NO.ClH,,,,,,UIAMHLBIOCQYBX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.297,225-626-3,4979-72-0,"2,5-diethoxy-4-morpholinobenzenediazonium tetrafluoroborate","2,5-diethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate",CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.F[B-](F)(F)F,CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.F[B-](F)(F)F,"InChI=1/C14H20N3O3.BF4/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;2-1(3,4)5/h9-10H,3-8H2,1-2H3;/q+1;-1",C14H20N3O3.BF4,,,,,,NWJKIZPYUDNORP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.300,225-630-5,4981-47-9,"1,3-bis(butoxymethyl)urea","1,3-bis(butoxymethyl)urea",CCCCOCNC(=O)NCOCCCC,CCCCOCNC(=O)NCOCCCC,"InChI=1/C11H24N2O3/c1-3-5-7-15-9-12-11(14)13-10-16-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14)",C11H24N2O3,,,,,,FXTTXOYMDFLEKM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.305,225-635-2,4/01/4984,"3,7-dimethyloct-1-ene","3,7-dimethyloct-1-ene",CC(C)CCCC(C)C=C,CC(C)CCCC(C)C=C,"InChI=1/C10H20/c1-5-10(4)8-6-7-9(2)3/h5,9-10H,1,6-8H2,2-4H3",C10H20,,,,,,KSXTZYRIJKDCEA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.308,225-638-9,4985-15-3,"10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one O-[2-(dimethylamino)ethyl]oxime monohydrochloride","10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one O-[2-(dimethylamino)ethyl]oxime hydrochloride",Cl.CN(C)CCON=C1c2ccccc2CCc3ccccc13,Cl.CN(C)CCON=C1c2ccccc2CCc3ccccc13,"InChI=1/C19H22N2O.ClH/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19;/h3-10H,11-14H2,1-2H3;1H",C19H22N2O.ClH,,,,,,JIKBYFBMUAUPJS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.312,225-643-6,4986-70-3,"Sodium N,N-dibenzylsulphanilate",sodium 4-(dibenzylamino)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3,"InChI=1/C20H19NO3S.Na/c22-25(23,24)20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;/h1-14H,15-16H2,(H,22,23,24);/q;+1/p-1",C20H19NO3S.Na,,,,,,UBGALPYNWUHIJF-UHFFFAOYSA-M,,,,,,,,,,,
100.023.317,225-648-3,4988-89-0,"1,1',1''-(1,3,5-triazine-2,4,6-triyltriimino)trisanthraquinone","1,1',1''-(1,3,5-triazine-2,4,6-triyltriimino)tri(9,10-anthraquinone)",O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cccc9C(=O)c%10ccccc%10C(=O)c89)n4)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cccc9C(=O)c%10ccccc%10C(=O)c89)n4)cccc13,"InChI=1/C45H24N6O6/c52-37-22-10-1-4-13-25(22)40(55)34-28(37)16-7-19-31(34)46-43-49-44(47-32-20-8-17-29-35(32)41(56)26-14-5-2-11-23(26)38(29)53)51-45(50-43)48-33-21-9-18-30-36(33)42(57)27-15-6-3-12-24(27)39(30)54/h1-21H,(H3,46,47,48,49,50,51)",C45H24N6O6,,,,,,YPAKPLSPBIYFAD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.392,225-730-9,5036-48-6,1H-imidazole-1-propylamine,3-(1H-imidazol-1-yl)propan-1-amine,NCCCn1ccnc1,NCCCn1ccnc1,"InChI=1/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2",C6H11N3,Full,Joint,1+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11509,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.392,KDHWOCLBMVSZPG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.395,225-734-0,5042-30-8,"2,2,2-trifluoroethylhydrazine","(2,2,2-trifluoroethyl)hydrazine",NNCC(F)(F)F,NNCC(F)(F)F,"InChI=1/C2H5F3N2/c3-2(4,5)1-7-6/h7H,1,6H2",C2H5F3N2,,,,,,OPMFFAOEPFATTG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.396,225-735-6,5042-33-1,Sodium 3-nitrosulphanilate,sodium 4-amino-3-nitrobenzenesulfonate,[Na+].Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H6N2O5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1",C6H6N2O5S.Na,,,,,,SXTOGAIYFMTUAD-UHFFFAOYSA-M,,,,,,,,,,,
100.023.407,225-747-1,5048-82-8,Ethyl p-aminocinnamate,ethyl 3-(4-aminophenyl)acrylate,CCOC(=O)\\C=C\\c1ccc(N)cc1,CCOC(=O)\C=C\c1ccc(N)cc1,"InChI=1/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3",C11H13NO2,,,,,,NRPMBSHHBFFYBF-VMPITWQZSA-N,,,,,,,,,,,
100.023.412,225-752-9,7/08/5053,"8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride","8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride",Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,"InChI=1/C15H20N2O2.ClH/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;/h1-5H,6-12H2,(H,16,18);1H",C15H20N2O2.ClH,,,,,,FIKFLLIUPUVONI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.415,225-756-0,5056-17-7,"(E,E,E)-2,7-dimethylocta-2,4,6-trienedial","2,7-dimethylocta-2,4,6-trienedial",C\\C(=C/C=C/C=C(\\C)/C=O)\\C=O,C\C(=C/C=C/C=C(\C)/C=O)\C=O,"InChI=1/C10H12O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-8H,1-2H3",C10H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10114,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.415,AYODHZHFDRRQEZ-XLKYRCCQSA-N,,,,,,,,,,,
100.023.416,225-757-6,5057-99-8,"trans-cyclopentane-1,2-diol","cyclopentane-1,2-diol",O[C@H]1CCC[C@@H]1O,O[C@H]1CCC[C@@H]1O,"InChI=1/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2",C5H10O2,,,,,,VCVOSERVUCJNPR-WHFBIAKZSA-N,,,,,,,,,,,
100.023.417,225-758-1,5058-19-5,2-butylpyridine,2-butylpyridine,CCCCc1ccccn1,CCCCc1ccccn1,"InChI=1/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3",C9H13N,,,,,,ADSOSINJPNKUJK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.420,225-761-8,5059-60-9,"2,5-dimethoxy-4-morpholinobenzenediazonium chloride, compound with zinc chloride","2,5-dimethoxy-4-morpholinobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].COc1cc(N2CCOCC2)c(OC)cc1[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].COc1cc(N2CCOCC2)c(OC)cc1[N+]#N,"InChI=1/C12H16N3O3.3ClH.Zn/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;;;;/h7-8H,3-6H2,1-2H3;3*1H;/q+1;;;;+2/p-3",C12H16N3O3.xCl2Zn.Cl,,,,,,CKIOTSAERDJNMI-UHFFFAOYSA-K,,,,,,,,,,,
100.023.421,225-762-3,5059-80-3,4-(dipropylamino)benzenediazonium tetrafluoroborate,4-(dipropylamino)benzenediazonium tetrafluoroborate,CCCN(CCC)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,CCCN(CCC)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,"InChI=1/C12H18N3.BF4/c1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12;2-1(3,4)5/h5-8H,3-4,9-10H2,1-2H3;/q+1;-1",C12H18N3.BF4,,,,,,RDTDIKYQWZGNFN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.427,225-769-1,5064-34-6,"5,5'-(tetramethylenedithio)di-1,3,4-thiadiazole-2-thiol","5,5'-(butane-1,4-diyldisulfanediyl)bis(1,3,4-thiadiazole-2-thiol)",Sc1nnc(SCCCCSc2nnc(S)s2)s1,Sc1nnc(SCCCCSc2nnc(S)s2)s1,"InChI=1/C8H10N4S6/c13-5-9-11-7(17-5)15-3-1-2-4-16-8-12-10-6(14)18-8/h1-4H2,(H,9,13)(H,10,14)",C8H10N4S6,,,,,,HZYLUFQBDSTRLP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.087,214-394-9,1124-20-5,"m,a-dimethylstyrene",1-isopropenyl-3-methylbenzene,CC(=C)c1cccc(C)c1,CC(=C)c1cccc(C)c1,"InChI=1/C10H12/c1-8(2)10-6-4-5-9(3)7-10/h4-7H,1H2,2-3H3",C10H12,,,,,,XXTQHVKTTBLFRI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.089,214-397-5,1124-39-6,4-ethylpyrocatechol,"4-ethylbenzene-1,2-diol",CCc1ccc(O)c(O)c1,CCc1ccc(O)c(O)c1,"InChI=1/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3",C8H10O2,,,,,,HFLGBNBLMBSXEM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.090,214-398-0,1124-53-4,N-cyclohexylacetamide,N-cyclohexylacetamide,CC(=O)NC1CCCCC1,CC(=O)NC1CCCCC1,"InChI=1/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,9,10)",C8H15NO,,,,,,WRAGCBBWIYQMRF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.097,214-406-2,1125-21-9,"2,6,6-trimethylcyclohex-2-ene-1,4-dione","2,6,6-trimethylcyclohex-2-ene-1,4-dione",CC1=CC(=O)CC(C)(C)C1=O,CC1=CC(=O)CC(C)(C)C1=O,"InChI=1/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3",C9H12O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6062,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.097,AYJXHIDNNLJQDT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.098,214-407-8,1125-27-5,Dichloroethylphenylsilane,dichloro(ethyl)phenylsilane,CC[Si](Cl)(Cl)c1ccccc1,CC[Si](Cl)(Cl)c1ccccc1,"InChI=1/C8H10Cl2Si/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8H10Cl2Si,,,,,,QFHGBZXWBRWAQV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.100,214-409-9,1125-71-9,1-cyclohexyl-2-methylpropan-1-one,1-cyclohexyl-2-methylpropan-1-one,CC(C)C(=O)C1CCCCC1,CC(C)C(=O)C1CCCCC1,"InChI=1/C10H18O/c1-8(2)10(11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",C10H18O,,,,,,XRLQPWQYUOVNTR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.102,214-412-5,1125-80-0,3-methylisoquinoline,3-methylisoquinoline,Cc1cc2ccccc2cn1,Cc1cc2ccccc2cn1,"InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3",C10H9N,,,,,,FVVXWRGARUACNW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.135,224-347-4,4319-49-7,Morpholin-4-ylamine,morpholin-4-amine,NN1CCOCC1,NN1CCOCC1,InChI=1/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2,C4H10N2O,,,,,,MKQLBNJQQZRQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.137,224-350-0,4320-30-3,L-arginine L-glutamate,L-arginine - L-glutamic acid (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)",C6H14N4O2.C5H9NO4,,,,,,RVEWUBJVAHOGKA-WOYAITHZSA-N,,,,,,,,,,,
100.022.142,224-355-8,4323-50-6,1-(p-nitrophenyl)biguanide,N-(4-nitrophenyl)imidodicarbonimidic diamide,NC(=N)NC(=N)Nc1ccc(cc1)N(=O)=O,NC(=N)NC(=N)Nc1ccc(cc1)N(=O)=O,"InChI=1/C8H10N6O2/c9-7(10)13-8(11)12-5-1-3-6(4-2-5)14(15)16/h1-4H,(H6,9,10,11,12,13)",C8H10N6O2,,,,,,BRGSYTBCYKKSBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.157,224-372-0,4332-97-2,3-phenyl-5-(phenylmethyl)-2-thioxoimidazolidin-4-one,5-benzyl-3-phenyl-2-thioxoimidazolidin-4-one,O=C1C(Cc2ccccc2)NC(=S)N1c3ccccc3,O=C1C(Cc2ccccc2)NC(=S)N1c3ccccc3,"InChI=1/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)",C16H14N2OS,,,,,,HIDCDSHFIITFOM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.159,224-374-1,4333-21-5,"Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo[1,2-c]imidazol-1-one","2-phenyl-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one",O=C1C2CCCN2C(=S)N1c3ccccc3,O=C1C2CCCN2C(=S)N1c3ccccc3,"InChI=1/C12H12N2OS/c15-11-10-7-4-8-13(10)12(16)14(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",C12H12N2OS,,,,,,YNJJBMAKBUZCKN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.166,224-382-5,4335-90-4,"3-(phenylmethylene)pentane-2,4-dione","3-benzylidenepentane-2,4-dione",CC(=O)C(=Cc1ccccc1)C(=O)C,CC(=O)C(=Cc1ccccc1)C(=O)C,"InChI=1/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3",C12H12O2,,,,,,NYRGMNMVISROGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.169,224-385-1,4337-43-3,"5-chloro-1,2-benzisothiazol-3(2H)-one","5-chloro-1,2-benzisothiazol-3(2H)-one",Clc1ccc2SNC(=O)c2c1,Clc1ccc2SNC(=O)c2c1,"InChI=1/C7H4ClNOS/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)",C7H4ClNOS,,,,,,IYFOEVOXKZUQPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.340,225-674-5,5003-48-5,Benorilate,4-acetamidophenyl 2-acetoxybenzoate,CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(=O)C)cc1,CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(=O)C)cc1,"InChI=1/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)",C17H15NO5,,,,,,FEJKLNWAOXSSNR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.341,225-675-0,5003-71-4,3-bromopropylamine hydrobromide,3-bromopropan-1-amine hydrobromide,Br.NCCCBr,Br.NCCCBr,"InChI=1/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H",C3H8BrN.BrH,,,,,,PQIYSSSTRHVOBW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.345,225-679-2,5005-46-9,a-[2-[bis(isopropyl)amino]ethyl]-a-phenylpyridine-2-acetonitrile,4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutanenitrile,CC(C)N(CCC(C#N)(c1ccccc1)c2ccccn2)C(C)C,CC(C)N(CCC(C#N)(c1ccccc1)c2ccccn2)C(C)C,"InChI=1/C21H27N3/c1-17(2)24(18(3)4)15-13-21(16-22,19-10-6-5-7-11-19)20-12-8-9-14-23-20/h5-12,14,17-18H,13,15H2,1-4H3",C21H27N3,,,,,,SSDIPWVFVFRNKB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.346,225-680-8,5006-22-4,Cyclobutanecarbonyl chloride,cyclobutanecarbonyl chloride,ClC(=O)C1CCC1,ClC(=O)C1CCC1,"InChI=1/C5H7ClO/c6-5(7)4-2-1-3-4/h4H,1-3H2",C5H7ClO,,,,,,JFWMYCVMQSLLOO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.349,225-683-4,5007-67-0,"3,3',4,4'-tetraaminobenzophenone","bis(3,4-diaminophenyl)methanone",Nc1ccc(cc1N)C(=O)c2ccc(N)c(N)c2,Nc1ccc(cc1N)C(=O)c2ccc(N)c(N)c2,"InChI=1/C13H14N4O/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6H,14-17H2",C13H14N4O,,,,,,NLNRQJQXCQVDQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.367,225-703-1,5019-24-9,Methyl tetra-O-acetyl-a-D-mannopyranoside,"methyl 2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranoside",CO[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,CO[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3",C15H22O10,,,,,,UYWUMFGDPBMNCA-MRLBHPIUSA-N,,,,,,,,,,,
100.023.368,225-704-7,5019-82-9,Bicyclo[3.2.1]octan-2-one,bicyclo[3.2.1]octan-2-one,O=C1CCC2CCC1C2,O=C1CCC2CCC1C2,"InChI=1/C8H12O/c9-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2",C8H12O,,,,,,SXFPXZSENHPCSH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.142,223-255-1,3786-76-3,"(5ß)-3ß-[(O-2,6-dideoxy-ß-D-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-D-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14-hydroxycardanolide","3-{[2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycardanolide",CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8COC(=O)C8)C4)OC3C)OC2C,CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8COC(=O)C8)C4)OC3C)OC2C,"InChI=1/C41H66O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h20-31,33-38,42-44,46-47H,6-19H2,1-5H3",C41H66O13,,,,,,WWCGMGNIMDOEGK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.145,223-258-8,3788-66-7,2-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]-5-methylbenzoxazole,"2-{2-[4-(1,3-benzoxazol-2-yl)phenyl]vinyl}-5-methyl-1,3-benzoxazole",Cc1ccc2oc(\\C=C\\c3ccc(cc3)c4oc5ccccc5n4)nc2c1,Cc1ccc2oc(\C=C\c3ccc(cc3)c4oc5ccccc5n4)nc2c1,"InChI=1/C23H16N2O2/c1-15-6-12-21-19(14-15)24-22(26-21)13-9-16-7-10-17(11-8-16)23-25-18-4-2-3-5-20(18)27-23/h2-14H,1H3",C23H16N2O2,,,,,,KKDLKBVEHOJWKX-UKTHLTGXSA-N,,,,,,,,,,,
100.021.151,223-265-6,3793-74-6,Ammonium tricosafluorododecanoate,ammonium tricosafluorododecanoate,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12HF23O2.H3N/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35;/h(H,36,37);1H3",C12HF23O2.H3N,,,,,,CZSJYNHKKNEDDD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.154,223-268-2,3796-23-4,3-(trifluoromethyl)pyridine,3-(trifluoromethyl)pyridine,FC(F)(F)c1cccnc1,FC(F)(F)c1cccnc1,"InChI=1/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H",C6H4F3N,,,,,,JTZSFNHHVULOGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.155,223-269-8,3796-70-1,"(E)-6,10-dimethylundeca-5,9-dien-2-one","6,10-dimethylundeca-5,9-dien-2-one",CC(=CCC\\C(=C\\CCC(=O)C)\\C)C,CC(=CCC\C(=C\CCC(=O)C)\C)C,"InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3",C13H22O,,,,,,HNZUNIKWNYHEJJ-FMIVXFBMSA-N,,,,,,,,,,,
100.021.158,223-272-4,1/01/3804,2-hydroxymenthol,"3-isopropyl-6-methylcyclohexane-1,2-diol",CC1CCC(C(C)C)C(O)C1O,CC1CCC(C(C)C)C(O)C1O,"InChI=1/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3",C10H20O2,,,,,,WQFGPARDTSBVLU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.167,223-282-9,3810-35-3,Tenonitrozole,"N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide",[O-][N+](=O)c1cnc(NC(=O)c2cccs2)s1,[O-][N+](=O)c1cnc(NC(=O)c2cccs2)s1,"InChI=1/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)",C8H5N3O3S2,,,,,,ZLOXYEZYWCTXHU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.173,223-289-7,9/04/3811,Potassium chlorate,potassium chlorate,[K+].[O-]Cl(=O)=O,[K+].[O-]Cl(=O)=O,"InChI=1/ClHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",ClHO3.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10580,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.173,VKJKEPKFPUWCAS-UHFFFAOYSA-M,,,,,,,,,,,
100.021.177,223-293-9,3811-68-5,Octadec-9-enylammonium acetate,octadec-9-en-1-aminium acetate,[O-]C(C)=O.[NH3+]CCCCCCCCC=CCCCCCCCC,[O-]C(C)=O.[NH3+]CCCCCCCCC=CCCCCCCCC,"InChI=1/C18H37N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h9-10H,2-8,11-19H2,1H3;1H3,(H,3,4)",C18H37N.C2H4O2,,,,,,NLGOTHQMVKZTBP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.008,219-808-1,2538-79-6,3-hydroxy-4-[(2-hydroxynaphthyl)azo]naphthalene-1-sulphonic acid,3-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccccc34,OS(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccccc34,"InChI=1/C20H14N2O5S/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27/h1-11,23-24H,(H,25,26,27)",C20H14N2O5S,,,,,,ZMLWOOMWRCRLCH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.013,219-813-9,2539-76-6,Ammonium 2-hydroxyisobutyrate,ammonium 2-hydroxy-2-methylpropanoate,[NH4+].CC(C)(O)C(=O)[O-],[NH4+].CC(C)(O)C(=O)[O-],"InChI=1/C4H8O3.H3N/c1-4(2,7)3(5)6;/h7H,1-2H3,(H,5,6);1H3",C4H8O3.H3N,,,,,,KCIBQYJUQYVPAY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.016,219-817-0,2540-54-7,"Propane-1,2,3-triyl tris(12-hydroxyoctadec-9-enoate), stereoisomer","propane-1,2,3-triyl tris(12-hydroxyoctadec-9-enoate)",CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(O)CCCCCC)OC(=O)CCCCCCCC=CCC(O)CCCCCC,CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(O)CCCCCC)OC(=O)CCCCCCCC=CCC(O)CCCCCC,"InChI=1/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3",C57H104O9,,,,,,ZEMPKEQAKRGZGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.019,219-820-7,2541-75-5,Heptadecan-8-ol,heptadecan-8-ol,CCCCCCCCCC(O)CCCCCCC,CCCCCCCCCC(O)CCCCCCC,"InChI=1/C17H36O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h17-18H,3-16H2,1-2H3",C17H36O,,,,,,KAYMRANHJDGOQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.027,219-829-6,2545-60-0,"Potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate","potassium 4-amino-3,5,6-trichloropyridine-2-carboxylate",[K+].Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl,[K+].Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl,"InChI=1/C6H3Cl3N2O2.K/c7-1-3(10)2(8)5(9)11-4(1)6(12)13;/h(H2,10,11)(H,12,13);/q;+1/p-1",C6H3Cl3N2O2.K,,,,,,ZRHANBBTXQZFSP-UHFFFAOYSA-M,,,,,,,,,,,
100.018.031,219-833-8,2548-87-0,(E)-oct-2-enal,oct-2-enal,CCCCC\\C=C\\C=O,CCCCC\C=C\C=O,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3",C8H14O,,,,,,LVBXEMGDVWVTGY-VOTSOKGWSA-N,,,,,,,,,,,
100.023.320,225-652-5,4991-47-3,Zinc dipalmitate,zinc dihexadecanoate,[Zn+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Zn,,,,,,GJAPSKMAVXDBIU-UHFFFAOYSA-L,,,,,,,,,,,
100.023.322,225-654-6,5/04/4992,2-[(hexahydro-1H-azepin-1-yl)methyl]phenol,2-(azepan-1-ylmethyl)phenol,Oc1ccccc1CN2CCCCCC2,Oc1ccccc1CN2CCCCCC2,"InChI=1/C13H19NO/c15-13-8-4-3-7-12(13)11-14-9-5-1-2-6-10-14/h3-4,7-8,15H,1-2,5-6,9-11H2",C13H19NO,,,,,,XZDFNUXKMYALTN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.330,225-663-5,4998-82-7,"1-[(2-hydroxy-3,5-dinitrophenyl)azo]-2-naphthol","1-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-2-naphthol",Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O)[N+]([O-])=O,Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C16H10N4O6/c21-14-6-5-9-3-1-2-4-11(9)15(14)18-17-12-7-10(19(23)24)8-13(16(12)22)20(25)26/h1-8,21-22H",C16H10N4O6,,,,,,XBGVXOHUFRWVIC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.331,225-664-0,5000-22-6,"Sodium 2,3,5,6-tetrachloropyridin-4-olate","sodium 2,3,5,6-tetrachloropyridin-4-olate",[Na+].[O-]c1c(Cl)c(Cl)nc(Cl)c1Cl,[Na+].[O-]c1c(Cl)c(Cl)nc(Cl)c1Cl,"InChI=1/C5HCl4NO.Na/c6-1-3(11)2(7)5(9)10-4(1)8;/h(H,10,11);/q;+1/p-1",C5HCl4NO.Na,,,,,,HBGFIKZGJDWPRO-UHFFFAOYSA-M,,,,,,,,,,,
100.016.097,217-706-1,1936-57-8,p-(methylamino)phenol sulphate,4-(methylamino)phenol sulfate (salt),CNc1ccc(O)cc1.OS(=O)(=O)O,CNc1ccc(O)cc1.OS(=O)(=O)O,"InChI=1/C7H9NO.H2O4S/c1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2-5,8-9H,1H3;(H2,1,2,3,4)",C7H9NO.xH2O4S,,,,,,OHYPPUOVSUINHM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.101,217-710-3,1937-37-7,"Disodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4'-[(2,4-diaminophenyl)diazenyl]biphenyl-4-yl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)c6,[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)c6,"InChI=1/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C34H27N9O7S2.2Na,,,,,,XRPLBRIHZGVJIC-UHFFFAOYSA-L,,,,,,,,,,,
100.016.106,217-716-6,1939-46-4,3-(2-bornyl)cyclohexan-1-ol,"3-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol",CC1(C)C2CCC1(C)C(C2)C3CCCC(O)C3,CC1(C)C2CCC1(C)C(C2)C3CCCC(O)C3,"InChI=1/C16H28O/c1-15(2)12-7-8-16(15,3)14(10-12)11-5-4-6-13(17)9-11/h11-14,17H,4-10H2,1-3H3",C16H28O,,,,,,IGEVVMFDMLDFFU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.108,217-718-7,1940-19-8,1-vinylcyclohexan-1-ol,1-vinylcyclohexanol,OC1(CCCCC1)C=C,OC1(CCCCC1)C=C,"InChI=1/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2",C8H14O,,,,,,ZXKHOVDDJMJXQP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.111,217-721-3,1940-49-4,"3-([1,1'-biphenyl]-4-yloxy)propane-1,2-diol","3-(biphenyl-4-yloxy)propane-1,2-diol",OCC(O)COc1ccc(cc1)c2ccccc2,OCC(O)COc1ccc(cc1)c2ccccc2,"InChI=1/C15H16O3/c16-10-14(17)11-18-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,16-17H,10-11H2",C15H16O3,,,,,,IMXUYOYYNZMNDM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.114,217-725-5,1941-26-0,Tetraethylammonium nitrate,"N,N,N-triethylethanaminium nitrate",CC[N+](CC)(CC)CC.[O-][N+](=O)[O-],CC[N+](CC)(CC)CC.[O-][N+](=O)[O-],"InChI=1/C8H20N.NO3/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;/q+1;-1",C8H20N.NO3,,,,,,JTJKNAJRGLQKDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.116,217-727-6,1941-30-6,Tetrapropylammonium bromide,"N,N,N-tripropylpropan-1-aminium bromide",[Br-].CCC[N+](CCC)(CCC)CCC,[Br-].CCC[N+](CCC)(CCC)CCC,"InChI=1/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1",C12H28N.Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10488,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.116,BGQMOFGZRJUORO-UHFFFAOYSA-M,,,,,,,,,,,
100.016.117,217-728-1,1941-52-2,D-glucose-diethyldithioacetal,"6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol (non-preferred name)",CCSC(SCC)C(O)C(O)C(O)C(O)CO,CCSC(SCC)C(O)C(O)C(O)C(O)CO,"InChI=1/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3",C10H22O5S2,,,,,,BTOYCPDACQXQRS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.121,217-732-3,1942-71-8,2-(4-tert-butylphenoxy)cyclohexan-1-ol,2-(4-tert-butylphenoxy)cyclohexanol,CC(C)(C)c1ccc(OC2CCCCC2O)cc1,CC(C)(C)c1ccc(OC2CCCCC2O)cc1,"InChI=1/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3",C16H24O2,,,,,,FTIXUILRMBSXNS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.123,217-734-4,1943-83-5,2-chloroethyl isocyanate,1-chloro-2-isocyanatoethane,ClCCN=C=O,ClCCN=C=O,InChI=1/C3H4ClNO/c4-1-2-5-3-6/h1-2H2,C3H4ClNO,,,,,,BCMYXYHEMGPZJN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.004,223-103-4,3735-90-8,Fencarbamide,S-[2-(diethylamino)ethyl] diphenylthiocarbamate,CCN(CC)CCSC(=O)N(c1ccccc1)c2ccccc2,CCN(CC)CCSC(=O)N(c1ccccc1)c2ccccc2,"InChI=1/C19H24N2OS/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3",C19H24N2OS,,,,,,BZGIPVGCJGXQTA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.108,214-418-8,1126-20-1,o-(allyloxy)phenol,2-(allyloxy)phenol,Oc1ccccc1OCC=C,Oc1ccccc1OCC=C,"InChI=1/C9H10O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6,10H,1,7H2",C9H10O2,,,,,,FNEJKCGACRPXBT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.115,214-426-1,1126-79-0,N-butyl phenyl ether,butoxybenzene,CCCCOc1ccccc1,CCCCOc1ccccc1,"InChI=1/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C10H14O,,,,,,YFNONBGXNFCTMM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.117,214-428-2,1127-29-3,"2,2,4,4-tetramethylcyclobutane-1,3-dione dioxime","2,2,4,4-tetramethylcyclobutane-1,3-dione dioxime",CC1(C)C(=N\\O)\\C(C)(C)C1=NO,CC1(C)C(=N\O)\C(C)(C)C1=NO,"InChI=1/C8H14N2O2/c1-7(2)5(9-11)8(3,4)6(7)10-12/h11-12H,1-4H3",C8H14N2O2,,,,,,HVHSYOQZXWLFGF-FFVZZNFRSA-N,,,,,,,,,,,
100.013.122,214-434-5,1128-08-1,3-methyl-2-pentylcyclopent-2-enone,3-methyl-2-pentylcyclopent-2-en-1-one,CCCCCC1=C(C)CCC1=O,CCCCCC1=C(C)CCC1=O,"InChI=1/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3",C11H18O,,,,,,YCIXWYOBMVNGTB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.123,214-435-0,1128-16-1,"3,5-dichloro-2-(trichloromethyl)pyridine","3,5-dichloro-2-(trichloromethyl)pyridine",Clc1cnc(c(Cl)c1)C(Cl)(Cl)Cl,Clc1cnc(c(Cl)c1)C(Cl)(Cl)Cl,"InChI=1/C6H2Cl5N/c7-3-1-4(8)5(12-2-3)6(9,10)11/h1-2H",C6H2Cl5N,,,,,,PWVHFDAKFGGYKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.127,214-439-2,1128-61-6,6-fluoro-2-methylquinoline,6-fluoro-2-methylquinoline,Cc1ccc2cc(F)ccc2n1,Cc1ccc2cc(F)ccc2n1,"InChI=1/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3",C10H8FN,,,,,,GPIARMSVZOEZCV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.963,231-859-1,7765-82-4,"3-chloro-2-ethyl-1,2-benzisothiazolium chloride","3-chloro-2-ethyl-1,2-benzisothiazol-2-ium chloride",[Cl-].CC[n+]1sc2ccccc2c1Cl,[Cl-].CC[n+]1sc2ccccc2c1Cl,"InChI=1/C9H9ClNS.ClH/c1-2-11-9(10)7-5-3-4-6-8(7)12-11;/h3-6H,2H2,1H3;1H/q+1;/p-1",C9H9ClNS.Cl,,,,,,FDHPAUZRMMITIA-UHFFFAOYSA-M,,,,,,,,,,,
100.028.964,231-860-7,7766-37-2,N-(4-methoxyphenyl)acrylamide,N-(4-methoxyphenyl)acrylamide,COc1ccc(NC(=O)C=C)cc1,COc1ccc(NC(=O)C=C)cc1,"InChI=1/C10H11NO2/c1-3-10(12)11-8-4-6-9(13-2)7-5-8/h3-7H,1H2,2H3,(H,11,12)",C10H11NO2,,,,,,YMHDGRAROYGJLT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.967,231-863-3,7768-28-7,2-hydroxyphenethyl alcohol,2-(2-hydroxyethyl)phenol,OCCc1ccccc1O,OCCc1ccccc1O,"InChI=1/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2",C8H10O2,,,,,,ABFCOJLLBHXNOU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.969,231-865-4,7772-79-4,N-acetyl-beta-D-glucosamine tetraacetate,"2-acetamido-1,3,4,6-tetra-O-acetyl-2-deoxyhexopyranose",CC(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C,CC(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C,"InChI=1/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)",C16H23NO10,,,,,,OVPIZHVSWNOZMN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.976,231-873-8,7774-29-0,Mercury diiodide,mercury diiodide,[I-].[I-].[Hg+2],[I-].[I-].[Hg+2],InChI=1/Hg.2HI/h;2*1H/q+2;;/p-2,HgI2,,,,,,YFDLHELOZYVNJE-UHFFFAOYSA-L,,,,,,,,,,,
100.028.978,231-875-9,7774-47-2,"5,5-dibutyldihydrofuran-2(3H)-one","5,5-dibutyldihydrofuran-2(3H)-one",CCCCC1(CCCC)CCC(=O)O1,CCCCC1(CCCC)CCC(=O)O1,"InChI=1/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3",C12H22O2,,,,,,KZEKELDMLDBVFV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.979,231-876-4,7774-60-9,1-methyl-1-phenylethyl isobutyrate,1-methyl-1-phenylethyl 2-methylpropanoate,CC(C)C(=O)OC(C)(C)c1ccccc1,CC(C)C(=O)OC(C)(C)c1ccccc1,"InChI=1/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3",C13H18O2,,,,,,LQOHUFIIIKBPQC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.985,231-883-2,7774-82-5,Tridec-2-enal,tridec-2-enal,CCCCCCCCCCC=CC=O,CCCCCCCCCCC=CC=O,"InChI=1/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3",C13H24O,,,,,,VMUNAKQXJLHODT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.986,231-884-8,7774-96-1,2-methoxy-4-(1-propenyl)phenyl formate,2-methoxy-4-prop-1-en-1-ylphenyl formate,COc1cc(ccc1OC=O)C=CC,COc1cc(ccc1OC=O)C=CC,"InChI=1/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3-8H,1-2H3",C11H12O3,,,,,,QUUXIMKMPYPPDM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.994,231-893-7,7775-38-4,1-phenylethyl formate,1-phenylethyl formate,CC(OC=O)c1ccccc1,CC(OC=O)c1ccccc1,"InChI=1/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3",C9H10O2,,,,,,RUDZCBJWUDOPTP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.995,231-894-2,7775-39-5,1-phenylethyl isobutyrate,1-phenylethyl 2-methylpropanoate,CC(C)C(=O)OC(C)c1ccccc1,CC(C)C(=O)OC(C)c1ccccc1,"InChI=1/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3",C12H16O2,,,,,,JZCCYSDOUYQZMW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.372,225-708-9,5022-65-1,(S)-a-amino-1H-indole-3-propionamide monohydrochloride,L-tryptophanamide hydrochloride,Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N,Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N,"InChI=1/C11H13N3O.ClH/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10;/h1-4,6,9,14H,5,12H2,(H2,13,15);1H",C11H13N3O.ClH,,,,,,WOBDANBSEWOYKN-FVGYRXGTSA-N,,,,,,,,,,,
100.023.373,225-709-4,5023-94-9,m-nitrobenzamide oxime,N'-hydroxy-3-nitrobenzenecarboximidamide,NC(=NO)c1cccc(c1)N(=O)=O,NC(=NO)c1cccc(c1)N(=O)=O,"InChI=1/C7H7N3O3/c8-7(9-11)5-2-1-3-6(4-5)10(12)13/h1-4,11H,(H2,8,9)",C7H7N3O3,,,,,,ZAIHFKLUPWFUGH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.002,216-501-4,1603-40-3,3-methyl-2-pyridylamine,3-methylpyridin-2-amine,Cc1cccnc1N,Cc1cccnc1N,"InChI=1/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)",C6H8N2,,,,,,RGDQRXPEZUNWHX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.018,223-119-1,3/04/3738,"N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]phenyl]acetamide","N-{4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl}acetamide",Oc2c(cc(cc2N=Nc1cc(NC(C)=O)ccc1O)[N+]([O-])=O)[N+]([O-])=O,Oc2c(cc(cc2N=Nc1cc(NC(C)=O)ccc1O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C14H11N5O7/c1-7(20)15-8-2-3-13(21)10(4-8)16-17-11-5-9(18(23)24)6-12(14(11)22)19(25)26/h2-6,21-22H,1H3,(H,15,20)",C14H11N5O7,,,,,,PUWISJQTOXWLHC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.022,223-123-3,3739-67-1,"4,4'-isopropylidenebis[(allyloxy)benzene]","1,1'-propane-2,2-diylbis[4-(allyloxy)benzene]",CC(C)(c1ccc(OCC=C)cc1)c2ccc(OCC=C)cc2,CC(C)(c1ccc(OCC=C)cc1)c2ccc(OCC=C)cc2,"InChI=1/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3",C21H24O2,,,,,,SCZZNWQQCGSWSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.027,223-129-6,3741-00-2,Pentylcyclopentane,pentylcyclopentane,CCCCCC1CCCC1,CCCCCC1CCCC1,"InChI=1/C10H20/c1-2-3-4-7-10-8-5-6-9-10/h10H,2-9H2,1H3",C10H20,,,,,,HPQURZRDYMUHJI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.032,223-134-3,3742-81-2,1-ethylcyclohexyl acetate,1-ethylcyclohexyl acetate,CCC1(CCCCC1)OC(=O)C,CCC1(CCCCC1)OC(=O)C,"InChI=1/C10H18O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h3-8H2,1-2H3",C10H18O2,,,,,,XNXQRDXUIDHJNY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.035,223-138-5,3746-39-2,Dodecyl mercaptoacetate,dodecyl sulfanylacetate,CCCCCCCCCCCCOC(=O)CS,CCCCCCCCCCCCOC(=O)CS,"InChI=1/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17/h17H,2-13H2,1H3",C14H28O2S,,,,,,TVMDUMQNXXNGMG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.037,223-140-6,3746-45-0,"1,3-di-9H-xanthen-9-ylurea","1,3-di-9H-xanthen-9-ylurea",O=C(NC1c2ccccc2Oc3ccccc13)NC4c5ccccc5Oc6ccccc46,O=C(NC1c2ccccc2Oc3ccccc13)NC4c5ccccc5Oc6ccccc46,"InChI=1/C27H20N2O3/c30-27(28-25-17-9-1-5-13-21(17)31-22-14-6-2-10-18(22)25)29-26-19-11-3-7-15-23(19)32-24-16-8-4-12-20(24)26/h1-16,25-26H,(H2,28,29,30)",C27H20N2O3,,,,,,XWEYDSIYIFOLQK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.045,223-149-5,3748-84-3,"2,3,5,6-tetramethylpyridine","2,3,5,6-tetramethylpyridine",Cc1cc(C)c(C)nc1C,Cc1cc(C)c(C)nc1C,"InChI=1/C9H13N/c1-6-5-7(2)9(4)10-8(6)3/h5H,1-4H3",C9H13N,,,,,,ZAAVUWIYUMVQJG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.049,223-153-7,3751-46-0,3-[(1-phenyl-1H-tetrazol-5-yl)thio]propiononitrile,3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propanenitrile,N#CCCSc1nnnn1c2ccccc2,N#CCCSc1nnnn1c2ccccc2,"InChI=1/C10H9N5S/c11-7-4-8-16-10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2",C10H9N5S,,,,,,MRIBCCHYZOSDOM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.054,223-158-4,3754-19-6,Ambuside,"N-allyl-4-chloro-6-[(3-hydroxybut-2-en-1-ylidene)amino]benzene-1,3-disulfonamide",O=S(N)(=O)c1cc(c(cc1Cl)N=CC=C(C)O)S(=O)(=O)NCC=C,O=S(N)(=O)c1cc(c(cc1Cl)N=CC=C(C)O)S(=O)(=O)NCC=C,"InChI=1/C13H16ClN3O5S2/c1-3-5-17-24(21,22)13-8-12(23(15,19)20)10(14)7-11(13)16-6-4-9(2)18/h3-4,6-8,17-18H,1,5H2,2H3,(H2,15,19,20)",C13H16ClN3O5S2,,,,,,SGYBHNVEILSSGC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.056,223-161-0,3755-83-7,"2-methyl-4,5-diphenylthiazole","2-methyl-4,5-diphenyl-1,3-thiazole",Cc1nc(c2ccccc2)c(s1)c3ccccc3,Cc1nc(c2ccccc2)c(s1)c3ccccc3,"InChI=1/C16H13NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3",C16H13NS,,,,,,ZFYWCVZNRMSXBT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.062,223-167-3,3759-28-2,"a,o-toluenedicarbonitrile",2-(cyanomethyl)benzonitrile,N#CCc1ccccc1C#N,N#CCc1ccccc1C#N,"InChI=1/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2",C9H6N2,,,,,,GKHSEDFDYXZGCG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.875,219-661-3,2492-87-7,4-nitrophenyl ß-D-glucopyranoside,4-nitrophenyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,IFBHRQDFSNCLOZ-RMPHRYRLSA-N,,,,,,,,,,,
100.017.884,219-671-8,2495-25-2,Tridecyl methacrylate,tridecyl methacrylate,CCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3",C17H32O2,,,,,,KEROTHRUZYBWCY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.886,219-673-9,2495-35-4,Benzyl acrylate,benzyl acrylate,C=CC(=O)OCc1ccccc1,C=CC(=O)OCc1ccccc1,"InChI=1/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2",C10H10O2,,,,,,GCTPMLUUWLLESL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.035,219-838-5,2549-63-5,Trinonyl phosphite,trinonyl phosphite,CCCCCCCCCOP(OCCCCCCCCC)OCCCCCCCCC,CCCCCCCCCOP(OCCCCCCCCC)OCCCCCCCCC,"InChI=1/C27H57O3P/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3",C27H57O3P,,,,,,QUTZUATVZPXUJR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.036,219-839-0,2549-67-9,2-ethylaziridine,2-ethylaziridine,CCC1CN1,CCC1CN1,"InChI=1/C4H9N/c1-2-4-3-5-4/h4-5H,2-3H2,1H3",C4H9N,,,,,,CSWPOLMVXVBCSV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.039,219-842-7,9/02/2550,Triethoxypropylsilane,triethoxy(propyl)silane,CCC[Si](OCC)(OCC)OCC,CCC[Si](OCC)(OCC)OCC,"InChI=1/C9H22O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-9H2,1-4H3",C9H22O3Si,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5310,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.039,NBXZNTLFQLUFES-UHFFFAOYSA-N,,,,,,,,,,,
100.018.040,219-843-2,1/04/2550,Allyltriethoxysilane,allyl(triethoxy)silane,CCO[Si](CC=C)(OCC)OCC,CCO[Si](CC=C)(OCC)OCC,"InChI=1/C9H20O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-9H2,2-4H3",C9H20O3Si,,,,,,UMFJXASDGBJDEB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.045,219-849-5,2550-27-8,3-methyl-4-phenylbutan-2-one,3-methyl-4-phenylbutan-2-one,CC(Cc1ccccc1)C(=O)C,CC(Cc1ccccc1)C(=O)C,"InChI=1/C11H14O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3",C11H14O,,,,,,YEHRTTZJTORGJL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.050,219-854-2,2551-62-4,Sulphur hexafluoride,sulphur hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[SH4+2].[SH4+2].[SH4+2],[F-].[F-].[F-].[F-].[F-].[F-].[SH4+2].[SH4+2].[SH4+2],InChI=1/6FH.3H4S/h6*1H;3*1H4/q;;;;;;3*+2/p-6,F6S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13559,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.050,YZKJHTLQXIIQAU-UHFFFAOYSA-H,,,,,,,,,,,
100.018.054,219-858-4,4/08/2553,"4-(1,1,3,3-tetramethylbutyl)phenyl salicylate","4-(1,1,3,3-tetramethylbutyl)phenyl salicylate",CC(C)(C)CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1,CC(C)(C)CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1,"InChI=1/C21H26O3/c1-20(2,3)14-21(4,5)15-10-12-16(13-11-15)24-19(23)17-8-6-7-9-18(17)22/h6-13,22H,14H2,1-5H3",C21H26O3,,,,,,IIHJDDQNGRKRIC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.055,219-860-5,2553-19-7,Diethoxydiphenylsilane,diethoxy(diphenyl)silane,CCO[Si](OCC)(c1ccccc1)c2ccccc2,CCO[Si](OCC)(c1ccccc1)c2ccccc2,"InChI=1/C16H20O2Si/c1-3-17-19(18-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3",C16H20O2Si,,,,,,ZZNQQQWFKKTOSD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.544,224-797-1,8/01/4499,"Disodium 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-({3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Cl)n5)c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Cl)n5)c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C23H14Cl2N6O8S2.2Na/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33;;/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31);;/q;2*+1/p-2",C23H14Cl2N6O8S2.2Na,,,,,,DHHMYWVFMSHEIP-UHFFFAOYSA-L,,,,,,,,,,,
100.022.549,224-802-7,4499-92-7,Calcium pentadecanoate,calcium dipentadecanoate,[Ca+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C15H30O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2",C15H30O2.1/2Ca,,,,,,ATCRCMRJRGWPKD-UHFFFAOYSA-L,,,,,,,,,,,
100.022.557,224-811-6,4500-58-7,o-ethylbenzenethiol,2-ethylbenzenethiol,CCc1ccccc1S,CCc1ccccc1S,"InChI=1/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3",C8H10S,,,,,,ABROBCBIIWHVNS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.560,224-814-2,4501-53-5,4-cyclohexyl-o-xylene,"4-cyclohexyl-1,2-dimethylbenzene",Cc1ccc(cc1C)C2CCCCC2,Cc1ccc(cc1C)C2CCCCC2,"InChI=1/C14H20/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3",C14H20,,,,,,RIFYDCDZQDTMDB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.563,224-817-9,4504-50-1,"Disodium (R*,S*)-tartrate",disodium tartarate,[Na+].[Na+].OC(C(O)C(=O)[O-])C(=O)[O-],[Na+].[Na+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C4H6O6.2Na,,,,,,HELHAJAZNSDZJO-UHFFFAOYSA-L,,,,,,,,,,,
100.022.564,224-818-4,4504-81-8,"Dipotassium (R*,S*)-tartrate",dipotassium tartarate,[K+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],[K+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C4H6O6.2K,,,,,,AVTYONGGKAJVTE-UHFFFAOYSA-L,,,,,,,,,,,
100.022.568,224-823-1,4506-71-2,"Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate","ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate",CCOC(=O)c1c(N)sc2CCCCc12,CCOC(=O)c1c(N)sc2CCCCc12,"InChI=1/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3",C11H15NO2S,,,,,,CDYVTVLXEWMCHU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.585,224-842-5,9/10/4518,Methyl 3-aminobenzoate,methyl 3-aminobenzoate,COC(=O)c1cccc(N)c1,COC(=O)c1cccc(N)c1,"InChI=1/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3",C8H9NO2,,,,,,VZDNXXPBYLGWOS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.589,224-846-7,4519-36-2,Trimethyl(p-methylbenzyl)ammonium chloride,"N,N,N-trimethyl(4-methylphenyl)methanaminium chloride",[Cl-].Cc1ccc(C[N+](C)(C)C)cc1,[Cl-].Cc1ccc(C[N+](C)(C)C)cc1,"InChI=1/C11H18N.ClH/c1-10-5-7-11(8-6-10)9-12(2,3)4;/h5-8H,9H2,1-4H3;1H/q+1;/p-1",C11H18N.Cl,,,,,,PMDRJZUQYMFWSP-UHFFFAOYSA-M,,,,,,,,,,,
100.021.007,223-107-6,3736-77-4,"[2R-(2a,3ß,3aß,9aß)]-2,3,3a,9a-tetrahydro-3-hydroxy-(hydroxymethyl)-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one","3-hydroxy-2-(hydroxymethyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one",OCC1OC2C(OC3=NC(=O)C=CN23)C1O,OCC1OC2C(OC3=NC(=O)C=CN23)C1O,"InChI=1/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2",C9H10N2O5,,,,,,UUGITDASWNOAGG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.009,223-109-7,3736-92-3,"1,2-diphenyl-4-(2-phenylthioethyl)pyrazolidine-3,5-dione","1,2-diphenyl-4-[2-(phenylsulfanyl)ethyl]pyrazolidine-3,5-dione",O=C1C(CCSc2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4,O=C1C(CCSc2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4,"InChI=1/C23H20N2O2S/c26-22-21(16-17-28-20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",C23H20N2O2S,,,,,,PLGXGMUJUXKCDD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.322,217-953-5,2016-48-0,Dodecyldimethylammonium chloride,"N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[NH+](C)C,[Cl-].CCCCCCCCCCCC[NH+](C)C,"InChI=1/C14H31N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4-14H2,1-3H3;1H",C14H31N.ClH,,,,,,PGQAXGHQYGXVDC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.323,217-954-0,2016-52-6,Hexadecylammonium acetate,hexadecan-1-aminium acetate,CCCCCCCCCCCCCCCC[NH3+].CC(=O)[O-],CCCCCCCCCCCCCCCC[NH3+].CC(=O)[O-],"InChI=1/C16H35N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h2-17H2,1H3;1H3,(H,3,4)",C16H35N.C2H4O2,,,,,,ANRCSZILOHNONR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.324,217-955-6,2016-54-8,Tetradecylammonium acetate,tetradecan-1-aminium acetate,CCCCCCCCCCCCCC[NH3+].CC(=O)[O-],CCCCCCCCCCCCCC[NH3+].CC(=O)[O-],"InChI=1/C14H31N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2(3)4/h2-15H2,1H3;1H3,(H,3,4)",C14H31N.C2H4O2,,,,,,VDWRUZRMNKZIAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.340,217-972-9,2025-40-3,Ethyl 2-cyanocinnamate,ethyl 3-(2-cyanophenyl)acrylate,CCOC(=O)\\C=C\\c1ccccc1C#N,CCOC(=O)\C=C\c1ccccc1C#N,"InChI=1/C12H11NO2/c1-2-15-12(14)8-7-10-5-3-4-6-11(10)9-13/h3-8H,2H2,1H3",C12H11NO2,,,,,,JTCIMTCOXPDDFV-BQYQJAHWSA-N,,,,,,,,,,,
100.016.343,217-976-0,2027-17-0,2-isopropylnaphthalene,2-isopropylnaphthalene,CC(C)c1ccc2ccccc2c1,CC(C)c1ccc2ccccc2c1,"InChI=1/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3",C13H14,,,,,,TVYVQNHYIHAJTD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.345,217-978-1,2028-63-9,But-3-yn-2-ol,but-3-yn-2-ol,CC(O)C#C,CC(O)C#C,"InChI=1/C4H6O/c1-3-4(2)5/h1,4-5H,2H3",C4H6O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17756,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.345,GKPOMITUDGXOSB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.353,217-987-0,2032-33-9,N-propylbenzylamine,N-benzylpropan-1-amine,CCCNCc1ccccc1,CCCNCc1ccccc1,"InChI=1/C10H15N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3",C10H15N,,,,,,OUMBFMLKPJUWDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.354,217-988-6,2032-34-0,"3,3-diethoxypropiononitrile","3,3-diethoxypropanenitrile",CCOC(CC#N)OCC,CCOC(CC#N)OCC,"InChI=1/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3",C7H13NO2,,,,,,WBOXEOCWOCJQNK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.355,217-989-1,2032-35-1,"2-bromo-1,1-diethoxyethane","2-bromo-1,1-diethoxyethane",CCOC(CBr)OCC,CCOC(CBr)OCC,"InChI=1/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3",C6H13BrO2,,,,,,LILXDMFJXYAKMK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.356,217-990-7,2032-59-9,Aminocarb,4-(dimethylamino)-3-methylphenyl methylcarbamate,CNC(=O)Oc1ccc(N(C)C)c(C)c1,CNC(=O)Oc1ccc(N(C)C)c(C)c1,"InChI=1/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)",C11H16N2O2,,,,,,IMIDOCRTMDIQIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.357,217-991-2,2032-65-7,Mercaptodimethur,"3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate",CNC(=O)Oc1cc(C)c(SC)c(C)c1,CNC(=O)Oc1cc(C)c(SC)c(C)c1,"InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)",C11H15NO2S,,,,,,YFBPRJGDJKVWAH-UHFFFAOYSA-N,Positive,SM843301;EA293701|EA293702|EA293703|EA293704|EA293705|EA293706|EA293707|EA293708|EA293709|EA293710|EA293711|EA293712|EA293713|EA293714;UF405701|UF405702|UF405703|UF405704,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,121.0648:169.0681:122.0726;169.0683:121.0649:122.0727|169.0682:121.065:226.0898|169.0681:121.0649:122.0725|121.0648:169.0684:122.0727|121.0649:122.0727:93.07|121.0649:122.0727:93.07|121.0649:107.0492:122.0726|169.0682:121.0649:226.0897|169.0681:121.0647:122.0726|121.0649:169.0683:122.0727|121.0649:122.0726:93.07|121.0648:122.0726:93.07|121.0649:107.0492:122.0727|169.0684:121.065:122.0723;121.0646:122.0725:91.0542|121.0647:122.0725:91.0542|169.068:121.0647:148.0755|169.0681:121.0648:148.0757,CASMI_2016;Eawag;UFZ,,,,,
100.016.359,217-993-3,2033-30-9,"1,3-dihydro-5,6-dimethyl-2H-benzimidazol-2-one","5,6-dimethyl-1,3-dihydro-2H-benzimidazol-2-one",Cc1cc2NC(=O)Nc2cc1C,Cc1cc2NC(=O)Nc2cc1C,"InChI=1/C9H10N2O/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)",C9H10N2O,,,,,,ORWJLFLEIZBRBR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.362,217-997-5,2034-22-2,"2,4,5-tribromoimidazole","2,4,5-tribromo-1H-imidazole",Brc1nc(Br)c(Br)[nH]1,Brc1nc(Br)c(Br)[nH]1,"InChI=1/C3HBr3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)",C3HBr3N2,,,,,,JCGGPCDDFXIVQB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.367,218-002-7,2035-93-0,4-methyl-4-phenylpentan-2-ol,4-methyl-4-phenylpentan-2-ol,CC(O)CC(C)(C)c1ccccc1,CC(O)CC(C)(C)c1ccccc1,"InChI=1/C12H18O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3",C12H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17671,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.367,NCYQVRNLBAYSLE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.131,224-343-2,4317-79-7,"N-tetradecylpropane-1,3-diamine","N-tetradecylpropane-1,3-diamine",CCCCCCCCCCCCCCNCCCN,CCCCCCCCCCCCCCNCCCN,"InChI=1/C17H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h19H,2-18H2,1H3",C17H38N2,,,,,,SSSZZOVUXFLWCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.998,231-897-9,7776-28-5,Calcium fytate,-,O=P1(OC2C(OP3(=O)O[Ca]O3)C(OP4(=O)O[Ca]O4)C(OP5(=O)O[Ca]O5)C(OP6(=O)O[Ca]O6)C2OP7(=O)O[Ca]O7)O[Ca]O1,O=P1(OC2C(OP3(=O)O[Ca]O3)C(OP4(=O)O[Ca]O4)C(OP5(=O)O[Ca]O5)C(OP6(=O)O[Ca]O6)C2OP7(=O)O[Ca]O7)O[Ca]O1,"InChI=1/C6H18O24P6.6Ca/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;/q;6*+2/p-12/rC6H6Ca6O24P6/c13-37(25-7-26-37)19-1-2(20-38(14)27-8-28-38)4(22-40(16)31-10-32-40)6(24-42(18)35-12-36-42)5(23-41(17)33-11-34-41)3(1)21-39(15)29-9-30-39/h1-6H",C6H18O24P6.6Ca,,,,,,WPEXVRDUEAJUGY-UHFFFAOYSA-B,,,,,,,,,,,
100.023.751,226-125-2,5286-38-4,6-methyl-3-(1-methylethyl)-7-oxabicyclo[4.1.0]heptan-2-one,3-isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one,CC(C)C1CCC2(C)OC2C1=O,CC(C)C1CCC2(C)OC2C1=O,"InChI=1/C10H16O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h6-7,9H,4-5H2,1-3H3",C10H16O2,,,,,,IAFONZHDZMCORS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.755,226-129-4,5290-62-0,4-(4-nitrophenylazo)-1-naphthol,4-[(4-nitrophenyl)diazenyl]-1-naphthol,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(O)c3ccccc23,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(O)c3ccccc23,"InChI=1/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H",C16H11N3O3,,,,,,MDLLSWJQIIAUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.757,226-132-0,5292-21-7,Cyclohexylacetic acid,cyclohexylacetic acid,OC(=O)CC1CCCCC1,OC(=O)CC1CCCCC1,"InChI=1/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)",C8H14O2,,,,,,LJOODBDWMQKMFB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.758,226-133-6,5292-43-3,tert-butyl bromoacetate,tert-butyl bromoacetate,CC(C)(C)OC(=O)CBr,CC(C)(C)OC(=O)CBr,"InChI=1/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3",C6H11BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18866,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.758,BNWCETAHAJSBFG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.759,226-134-1,5292-45-5,Dimethyl 2-nitroterephthalate,dimethyl 2-nitroterephthalate,COC(=O)c1ccc(C(=O)OC)c(c1)[N+](=O)[O-],COC(=O)c1ccc(C(=O)OC)c(c1)[N+](=O)[O-],"InChI=1/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3",C10H9NO6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5342,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.759,PAYWCKGMOYQZAW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.760,226-135-7,5292-47-7,Dimethyl 2-fluoroterephthalate,dimethyl 2-fluoroterephthalate,COC(=O)c1ccc(C(=O)OC)c(F)c1,COC(=O)c1ccc(C(=O)OC)c(F)c1,"InChI=1/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3",C10H9FO4,,,,,,NCRFSIQSCLJDIC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.762,226-137-8,5292-53-5,Diethyl (phenylmethylene)malonate,diethyl benzylidenemalonate,CCOC(=O)C(=Cc1ccccc1)C(=O)OCC,CCOC(=O)C(=Cc1ccccc1)C(=O)OCC,"InChI=1/C14H16O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",C14H16O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18800,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.762,VUWPIBNKJSEYIN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.916,215-307-7,1320-79-2,Sodium trichlorophenolate,"sodium 2,3,4-trichlorophenolate",[Na+].[O-]c1ccc(Cl)c(Cl)c1Cl,[Na+].[O-]c1ccc(Cl)c(Cl)c1Cl,"InChI=1/C6H3Cl3O.Na/c7-3-1-2-4(10)6(9)5(3)8;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.Na,,,,,,YFPNAQYEHBHHHI-UHFFFAOYSA-M,,,,,,,,,,,
100.013.919,215-310-3,1321-11-5,Aminobenzoic acid,2-aminobenzoic acid,Nc1ccccc1C(=O)O,Nc1ccccc1C(=O)O,"InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",C7H7NO2,,,,,,RWZYAGGXGHYGMB-UHFFFAOYSA-N,Positive,SM800901;SM884401,[M+H]+;[M+H]+,HCD35;HCD35,120.0444:92.0495:138.055;120.0444:92.0495:138.0549,CASMI_2016;CASMI_2016,,,,,
100.013.920,215-311-9,1321-12-6,Nitrotoluene,1-methyl-2-nitrobenzene,Cc1ccccc1[N+](=O)[O-],Cc1ccccc1[N+](=O)[O-],"InChI=1/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",C7H7NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1563,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.920,PLAZTCDQAHEYBI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.924,215-316-6,1321-23-9,Chloroxylenol,"4-chloro-3,5-dimethylphenol",Cc1cc(O)cc(C)c1Cl,Cc1cc(O)cc(C)c1Cl,"InChI=1/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",C8H9ClO,,,,,,OSDLLIBGSJNGJE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.926,215-318-7,1321-35-3,Isooctylamine,6-methylheptan-1-amine,CC(C)CCCCCN,CC(C)CCCCCN,"InChI=1/C8H19N/c1-8(2)6-4-3-5-7-9/h8H,3-7,9H2,1-2H3",C8H19N,,,,,,LPULCTXGGDJCTO-UHFFFAOYSA-N,,,,,,,,,,,
100.013.932,215-325-5,1321-74-0,Divinylbenzene,"1,2-divinylbenzene",C=Cc1ccccc1C=C,C=Cc1ccccc1C=C,"InChI=1/C10H10/c1-3-9-7-5-6-8-10(9)4-2/h3-8H,1-2H2",C10H10,,,,,,MYRTYDVEIRVNKP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.937,215-330-2,1322-13-0,Ethylhexyl acrylate,1-ethylhexyl acrylate,CCCCCC(CC)OC(=O)C=C,CCCCCC(CC)OC(=O)C=C,"InChI=1/C11H20O2/c1-4-7-8-9-10(5-2)13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3",C11H20O2,,,,,,DNPFOADIPJWGQH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.941,215-334-4,1322-23-2,Trivinylbenzene,"1,2,3-trivinylbenzene",C=Cc1cccc(C=C)c1C=C,C=Cc1cccc(C=C)c1C=C,"InChI=1/C12H12/c1-4-10-8-7-9-11(5-2)12(10)6-3/h4-9H,1-3H2",C12H12,,,,,,WVAFEFUPWRPQSY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.945,215-339-1,1322-51-6,Benzylphenol,2-benzylphenol,Oc1ccccc1Cc2ccccc2,Oc1ccccc1Cc2ccccc2,"InChI=1/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2",C13H12O,,,,,,CDMGNVWZXRKJNS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.952,215-347-5,1322-98-1,Sodium decylbenzenesulphonate,sodium 2-decylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCC,[Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCC,"InChI=1/C16H26O3S.Na/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)20(17,18)19;/h10-11,13-14H,2-9,12H2,1H3,(H,17,18,19);/q;+1/p-1",C16H26O3S.Na,,,,,,AJVIQNYVMGYYOL-UHFFFAOYSA-M,,,,,,,,,,,
100.017.890,219-678-6,1/02/2497,N-acetyl-L-histidine,N-acetyl-L-histidine,CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)",C8H11N3O3,,,,,,KBOJOGQFRVVWBH-ZETCQYMHSA-N,,,,,,,,,,,
100.017.891,219-679-1,6/07/2497,Oxydisulfoton,"O,O-diethyl S-[2-(ethylsulfinyl)ethyl] dithiophosphate",CCOP(=S)(OCC)SCCS(=O)CC,CCOP(=S)(OCC)SCCS(=O)CC,"InChI=1/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3",C8H19O3PS3,,,,,,UPUGLJYNCXXUQV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.896,219-684-9,2497-91-8,"2-chloro-3,5-dinitrobenzoic acid","2-chloro-3,5-dinitrobenzoic acid",OC(=O)c1cc(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1cc(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H3ClN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)",C7H3ClN2O6,,,,,,ADTKEYLCJYYHHH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.900,219-689-6,2498-24-0,Cyclohexyldimethylammonium chloride,"N,N-dimethylcyclohexanaminium chloride",[Cl-].C[NH+](C)C1CCCCC1,[Cl-].C[NH+](C)C1CCCCC1,"InChI=1/C8H17N.ClH/c1-9(2)8-6-4-3-5-7-8;/h8H,3-7H2,1-2H3;1H",C8H17N.ClH,,,,,,KBXRGBYSPXRSOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.904,219-693-8,2498-66-0,"Benz[a]anthracene-7,12-quinone","tetraphene-7,12-dione",O=C1c2ccccc2C(=O)c3c1ccc4ccccc34,O=C1c2ccccc2C(=O)c3c1ccc4ccccc34,InChI=1/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H,C18H10O2,,,,,,LHMRXAIRPKSGDE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.905,219-694-3,2498-95-5,Disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate,"disodium 2-{4-[(2-cyano-3-{4-[methyl(2-sulfonatoethyl)amino]phenyl}acryloyl)amino]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].CN(CCS(=O)(=O)[O-])c1ccc(\\C=C(/C#N)\\C(=O)Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S(=O)(=O)[O-])cc1,[Na+].[Na+].CN(CCS(=O)(=O)[O-])c1ccc(\C=C(/C#N)\C(=O)Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S(=O)(=O)[O-])cc1,"InChI=1/C27H24N4O7S3.2Na/c1-17-3-12-23-24(25(17)41(36,37)38)39-27(30-23)19-6-8-21(9-7-19)29-26(32)20(16-28)15-18-4-10-22(11-5-18)31(2)13-14-40(33,34)35;;/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C27H24N4O7S3.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17095,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.905,RXTSUBROMXGEJZ-ZAWKPCBGSA-L,,,,,,,,,,,
100.017.906,219-695-9,2499-58-3,Heptyl acrylate,heptyl acrylate,CCCCCCCOC(=O)C=C,CCCCCCCOC(=O)C=C,"InChI=1/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3",C10H18O2,,,,,,SCFQUKBBGYTJNC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.907,219-696-4,2499-59-4,Octyl acrylate,octyl acrylate,CCCCCCCCOC(=O)C=C,CCCCCCCCOC(=O)C=C,"InChI=1/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3",C11H20O2,,,,,,ANISOHQJBAQUQP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.912,219-703-0,2502-15-0,Tris(4-isopropylphenyl) phosphate,tris(4-isopropylphenyl) phosphate,CC(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1,CC(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1,"InChI=1/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3",C27H33O4P,,,,,,ANVREEJNGJMLOV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.917,219-708-8,2503-73-3,"Tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate","tetrasodium 2-{[4-({4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(N=Nc7ccc(N=Nc5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S([O-])(=O)=O)c4ccccc45)c6cc(ccc67)S([O-])(=O)=O)c(cc8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(N=Nc7ccc(N=Nc5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S([O-])(=O)=O)c4ccccc45)c6cc(ccc67)S([O-])(=O)=O)c(cc8)S([O-])(=O)=O,"InChI=1/C42H29N7O13S4.4Na/c50-42-29-13-10-26(43-25-6-2-1-3-7-25)20-24(29)21-40(66(60,61)62)41(42)49-47-35-16-15-34(30-8-4-5-9-31(30)35)44-46-37-18-17-36(32-14-11-27(22-33(32)37)63(51,52)53)45-48-38-23-28(64(54,55)56)12-19-39(38)65(57,58)59;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C42H29N7O13S4.4Na,,,,,,PIFIKHPULBFVIP-UHFFFAOYSA-J,,,,,,,,,,,
100.022.176,224-393-5,4338-98-1,3-methylbenzothiazol-2(3H)-one hydrazone monohydrochloride,"2-hydrazono-3-methyl-2,3-dihydro-1,3-benzothiazole hydrochloride",Cl.CN1c2ccccc2SC1=NN,Cl.CN1c2ccccc2SC1=NN,"InChI=1/C8H9N3S.ClH/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;/h2-5H,9H2,1H3;1H",C8H9N3S.ClH,,,,,,OEZPVSPULCMUQB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.182,224-399-8,4342-36-3,Tributylstannyl benzoate,(benzoyloxy)(tributyl)stannane,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1,"InChI=1/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC19H32O2Sn/c1-4-7-15-22(16-8-5-2,17-9-6-3)21-19(20)18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3",C19H32O2Sn,,,,,,JUEAPPHORMOWPK-UHFFFAOYSA-M,,,,,,,,,,,
100.022.185,224-402-2,4344-55-2,4-butoxyaniline,4-butoxyaniline,CCCCOc1ccc(N)cc1,CCCCOc1ccc(N)cc1,"InChI=1/C10H15NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8,11H2,1H3",C10H15NO,,,,,,UBRIHZOFEJHMIT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.190,224-408-5,4346-51-4,Ammonium 2-amino-5-nitrobenzenesulphonate,ammonium 2-amino-5-nitrobenzenesulfonate,[NH4+].Nc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-],[NH4+].Nc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C6H6N2O5S.H3N/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,7H2,(H,11,12,13);1H3",C6H6N2O5S.H3N,,,,,,GLDLSNRCCDDGQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.590,224-847-2,4519-40-8,"2,3-difluoroaniline","2,3-difluoroaniline",Nc1cccc(F)c1F,Nc1cccc(F)c1F,"InChI=1/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2",C6H5F2N,,,,,,YCCQGFYAVUTQFK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.591,224-848-8,4521-22-6,4-p-tolylbutyric acid,4-(4-methylphenyl)butanoic acid,Cc1ccc(CCCC(=O)O)cc1,Cc1ccc(CCCC(=O)O)cc1,"InChI=1/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)",C11H14O2,,,,,,IXWOVMRDYFFXGI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.891,217-479-9,1866-39-3,trans-p-methylcinnamic acid,3-(4-methylphenyl)acrylic acid,Cc1ccc(\\C=C\\C(=O)O)cc1,Cc1ccc(\C=C\C(=O)O)cc1,"InChI=1/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O2,,,,,,RURHILYUWQEGOS-VOTSOKGWSA-N,,,,,,,,,,,
100.015.894,217-483-0,1867-58-9,"Ethane-1,2-disulphonic acid, compound with 5-(2-chloroethyl)-4-methylthiazole (1:2)","ethane-1,2-disulfonic acid - 5-(2-chloroethyl)-4-methyl-1,3-thiazole (1:2)",Cc1ncsc1CCCl.Cc2ncsc2CCCl.OS(=O)(=O)CCS(=O)(=O)O,Cc1ncsc1CCCl.Cc2ncsc2CCCl.OS(=O)(=O)CCS(=O)(=O)O,"InChI=1/2C6H8ClNS.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;3-9(4,5)1-2-10(6,7)8/h2*4H,2-3H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)",C6H8ClNS.1/2C2H6O6S2,,,,,,WFVBVWRCFZCWJU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.901,217-490-9,1871-58-5,"1,2,3-trichloro-2-methylpropane","1,2,3-trichloro-2-methylpropane",CC(Cl)(CCl)CCl,CC(Cl)(CCl)CCl,"InChI=1/C4H7Cl3/c1-4(7,2-5)3-6/h2-3H2,1H3",C4H7Cl3,,,,,,XMCSILBVFPYTLC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.908,217-498-2,1873-92-3,Allyldichloromethylsilane,"(1,1-dichlorobut-3-en-1-yl)silane",[SiH3]C(Cl)(Cl)CC=C,[SiH3]C(Cl)(Cl)CC=C,"InChI=1/C4H8Cl2Si/c1-2-3-4(5,6)7/h2H,1,3H2,7H3",C4H8Cl2Si,,,,,,YBXIUNGKKYSYRA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.912,217-502-2,1874-58-4,6-[(phenylmethyl)thio]-1H-purin-2-amine,6-(benzylsulfanyl)-1H-purin-2-amine,Nc1nc2ncnc2c(SCc3ccccc3)[nH]1,Nc1nc2ncnc2c(SCc3ccccc3)[nH]1,"InChI=1/C12H11N5S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)",C12H11N5S,,,,,,JQMGATKUPCKDEG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.914,217-504-3,1874-83-5,"Cyclohexane-1,3-dione, monosodium salt",-,[Na+].O=C1CCCC(=O)C1,[Na+].O=C1CCCC(=O)C1,InChI=1/C6H8O2.Na/c7-5-2-1-3-6(8)4-5;/h1-4H2;/q;+1,C6H7O2.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1788,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.914,VNKRJRXOVCKNSM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.918,217-509-0,1875-92-9,"N,N-dimethylbenzylamine hydrochloride","N,N-dimethyl-1-phenylmethanamine hydrochloride",Cl.CN(C)Cc1ccccc1,Cl.CN(C)Cc1ccccc1,"InChI=1/C9H13N.ClH/c1-10(2)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H",C9H13N.ClH,,,,,,CADWTSSKOVRVJC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.925,217-516-9,1878-29-1,"Ethyl 3-(3,4,5-trimethoxyphenyl)acrylate","ethyl 3-(3,4,5-trimethoxyphenyl)acrylate",CCOC(=O)\\C=C\\c1cc(OC)c(OC)c(OC)c1,CCOC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1,"InChI=1/C14H18O5/c1-5-19-13(15)7-6-10-8-11(16-2)14(18-4)12(9-10)17-3/h6-9H,5H2,1-4H3",C14H18O5,,,,,,WZFPTWWCXRADLD-VOTSOKGWSA-N,,,,,,,,,,,
100.015.927,217-519-5,1878-55-3,"[3-(1,1-dimethylethyl)phenoxy]acetic acid",(3-tert-butylphenoxy)acetic acid,CC(C)(C)c1cccc(OCC(=O)O)c1,CC(C)(C)c1cccc(OCC(=O)O)c1,"InChI=1/C12H16O3/c1-12(2,3)9-5-4-6-10(7-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)",C12H16O3,,,,,,TZCJVGQCSABBGD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.931,217-523-7,1878-68-8,p-bromophenylacetic acid,(4-bromophenyl)acetic acid,OC(=O)Cc1ccc(Br)cc1,OC(=O)Cc1ccc(Br)cc1,"InChI=1/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7BrO2,,,,,,QOWSWEBLNVACCL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.932,217-524-2,1878-81-5,(p-acetylphenoxy)acetic acid,(4-acetylphenoxy)acetic acid,CC(=O)c1ccc(OCC(=O)O)cc1,CC(=O)c1ccc(OCC(=O)O)cc1,"InChI=1/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)",C10H10O4,,,,,,KMXZEXUYXUMHEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.933,217-525-8,1878-84-8,4-hydroxyphenoxyacetic acid,(4-hydroxyphenoxy)acetic acid,OC(=O)COc1ccc(O)cc1,OC(=O)COc1ccc(O)cc1,"InChI=1/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)",C8H8O4,,,,,,PKGWLCZTTHWKIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.940,217-533-1,1879-09-0,"6-tert-butyl-2,4-xylenol","2-tert-butyl-4,6-dimethylphenol",Cc1cc(C)c(O)c(c1)C(C)(C)C,Cc1cc(C)c(O)c(c1)C(C)(C)C,"InChI=1/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3",C12H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5879,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.940,OPLCSTZDXXUYDU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.869,227-355-6,5802-82-4,Methyl hexacosanoate,methyl hexacosanoate,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3",C27H54O2,,,,,,VHUJBYYFFWDLNM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.870,227-356-1,5802-91-5,Disodium 2-sulphonatooctadecanoate,disodium 2-sulfonatooctadecanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H36O5S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20)24(21,22)23;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2",C18H36O5S.2Na,,,,,,DBKJZAWCDAODRC-UHFFFAOYSA-L,,,,,,,,,,,
100.022.132,224-344-8,4318-03-0,"Dibutyl hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","dibutyl hydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCOP(=O)(O)OCCCC.OCCNCCO,CCCCOP(=O)(O)OCCCC.OCCNCCO,"InChI=1/C8H19O4P.C4H11NO2/c1-3-5-7-11-13(9,10)12-8-6-4-2;6-3-1-5-2-4-7/h3-8H2,1-2H3,(H,9,10);5-7H,1-4H2",C8H19O4P.C4H11NO2,,,,,,ZSDHMZMBIAUNKF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.136,224-349-5,4319-56-6,Desoxycortone 21-D-glucoside,"3,20-dioxopregn-4-en-21-yl 6-deoxyhexopyranoside",CC1OC(OCC(=O)C2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)C(O)C(O)C1O,CC1OC(OCC(=O)C2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)C(O)C(O)C1O,"InChI=1/C27H40O7/c1-14-22(30)23(31)24(32)25(34-14)33-13-21(29)20-7-6-18-17-5-4-15-12-16(28)8-10-26(15,2)19(17)9-11-27(18,20)3/h12,14,17-20,22-25,30-32H,4-11,13H2,1-3H3",C27H40O8,,,,,,FYUFCZDIQBGWFC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.140,224-353-7,4322-63-8,Sodium hydrogen D-glucarate,"sodium hydrogen 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Na+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[Na+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/C6H10O8.Na/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+1/p-2",C6H10O8.Na,,,,,,HEMLSXULQATQSD-SBBOJQDXSA-L,,,,,,,,,,,
100.022.141,224-354-2,4323-43-7,"4,4'-[hexane-1,6-diylbis[imino(1-hydroxy-2,1-ethanediyl)]]bispyrocatechol dihydrochloride","4,4'-{hexane-1,6-diylbis[imino(1-hydroxyethane-2,1-diyl)]}dibenzene-1,2-diol dihydrochloride",Cl.Cl.OC(CNCCCCCCNCC(O)c1ccc(O)c(O)c1)c2ccc(O)c(O)c2,Cl.Cl.OC(CNCCCCCCNCC(O)c1ccc(O)c(O)c1)c2ccc(O)c(O)c2,"InChI=1/C22H32N2O6.2ClH/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;;/h5-8,11-12,21-30H,1-4,9-10,13-14H2;2*1H",C22H32N2O6.2ClH,,,,,,LECFJMMCVCBLPN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.144,224-357-9,4324-38-3,3-ethoxypropionic acid,3-ethoxypropanoic acid,CCOCCC(=O)O,CCOCCC(=O)O,"InChI=1/C5H10O3/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7)",C5H10O3,,,,,,JRXXEXVXTFEBIY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.148,224-362-6,5/04/4328,Tetrakis(2-hydroxyethyl)ammonium bromide,"2-hydroxy-N,N,N-tris(2-hydroxyethyl)ethanaminium bromide",[Br-].OCC[N+](CCO)(CCO)CCO,[Br-].OCC[N+](CCO)(CCO)CCO,"InChI=1/C8H20NO4.BrH/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H/q+1;/p-1",C8H20NO4.Br,,,,,,HAKHOKJQPCRWAS-UHFFFAOYSA-M,,,,,,,,,,,
100.022.163,224-378-3,4335-29-9,"2,3-dihydro-6-phenylimidazo[2,1-b]thiazole monohydrochloride","6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole hydrochloride",Cl.C1Cn2cc(nc2S1)c3ccccc3,Cl.C1Cn2cc(nc2S1)c3ccccc3,"InChI=1/C11H10N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,8H,6-7H2;1H",C11H10N2S.ClH,,,,,,WSHGBVKJQHFYCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.165,224-380-4,4335-77-7,a-cyclohexylmandelic acid,cyclohexyl(hydroxy)phenylacetic acid,OC(=O)C(O)(C1CCCCC1)c2ccccc2,OC(=O)C(O)(C1CCCCC1)c2ccccc2,"InChI=1/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)",C14H18O3,,,,,,YTRNSQPXEDGWMR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.170,224-386-7,4337-65-9,2-ethylhexyl hydrogen adipate,6-[(2-ethylhexyl)oxy]-6-oxohexanoic acid,CCCCC(CC)COC(=O)CCCCC(=O)O,CCCCC(CC)COC(=O)CCCCC(=O)O,"InChI=1/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)",C14H26O4,,,,,,MBGYSHXGENGTBP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.171,224-387-2,4337-66-0,"Benzoic acid, compound with 2-aminoethanol (1:1)",2-aminoethanol benzoate (salt),NCCO.OC(=O)c1ccccc1,NCCO.OC(=O)c1ccccc1,"InChI=1/C7H6O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2",C7H6O2.C2H7NO,,,,,,WUGCLPOLOCIDHW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.175,224-391-4,4338-95-8,S-methylthiouronium iodide,amino(methylsulfanyl)methaniminium iodide,[I-].CSC(=[NH2+])N,[I-].CSC(=[NH2+])N,"InChI=1/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H",C2H6N2S.HI,,,,,,LFXAECSQJSRSTP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.333,225-666-1,5000-65-7,Bromomethyl 3-methoxyphenyl ketone,2-bromo-1-(3-methoxyphenyl)ethanone,COc1cccc(c1)C(=O)CBr,COc1cccc(c1)C(=O)CBr,"InChI=1/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3",C9H9BrO2,,,,,,IOOHBIFQNQQUFI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.335,225-668-2,5001-51-4,Calcium bis(4-O-(ß-D-galactosyl)-D-gluconate),"calcium bis(2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexanoate) (non-preferred name)",OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(=O)O[Ca]OC(=O)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)CO,OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(=O)O[Ca]OC(=O)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)CO,"InChI=1/2C12H22O12.Ca/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;/h2*3-10,12-20H,1-2H2,(H,21,22);/q;;+2/p-2",C12H22O12.1/2Ca,,,,,,RHEMCSSAABKPLI-UHFFFAOYSA-L,,,,,,,,,,,
100.023.342,225-676-6,9/07/5004,4-(1-pyrrolidinyl)piperidine,4-pyrrolidin-1-ylpiperidine,C1CCN(C1)C2CCNCC2,C1CCN(C1)C2CCNCC2,"InChI=1/C9H18N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h9-10H,1-8H2",C9H18N2,,,,,,STWODXDTKGTVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.343,225-677-1,5005-36-7,a-phenylpyridine-2-acetonitrile,phenyl(pyridin-2-yl)acetonitrile,N#CC(c1ccccc1)c2ccccn2,N#CC(c1ccccc1)c2ccccn2,"InChI=1/C13H10N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12H",C13H10N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16866,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.343,CAXNYFPECZCGFK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.351,225-686-0,5008-73-1,1-[(1-methylethyl)thio]propane,1-(isopropylsulfanyl)propane,CCCSC(C)C,CCCSC(C)C,"InChI=1/C6H14S/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3",C6H14S,,,,,,BDFDQOJJDDORSR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.956,215-351-7,1323-19-9,Sodium tris(1-methylethyl)naphthalenesulphonate,"sodium 2,3,4-triisopropylnaphthalene-1-sulfonate",[Na+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-],[Na+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-],"InChI=1/C19H26O3S.Na/c1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h7-13H,1-6H3,(H,20,21,22);/q;+1/p-1",C19H26O3S.Na,,,,,,RLWYOEZLEULOLU-UHFFFAOYSA-M,,,,,,,,,,,
100.013.962,215-358-5,1323-75-7,Santalyl phenylacetate,2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)pent-2-en-1-yl phenylacetate,CC(=CCCC1(C)C2CCC(C2)C1=C)COC(=O)Cc3ccccc3,CC(=CCCC1(C)C2CCC(C2)C1=C)COC(=O)Cc3ccccc3,"InChI=1/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3",C23H30O2,,,,,,FIZFZQIBGCHOJY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.442,225-785-9,5076-20-0,Tetramethyloxirane,tetramethyloxirane,CC1(C)OC1(C)C,CC1(C)OC1(C)C,"InChI=1/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3",C6H12O,,,,,,SYQIWVMFOAHDMK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.450,225-794-8,5081-42-5,"Methyl 3,4,5-trimethoxy-2-nitrobenzoate","methyl 3,4,5-trimethoxy-2-nitrobenzoate",COC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-],COC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-],"InChI=1/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3",C11H13NO7,,,,,,HCEIEWYPDCDNNU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.457,225-803-5,5089-22-5,"2,2'-(naphthalene-1,4-diyl)bis(benzoxazole)","2,2'-naphthalene-1,4-diylbis(1,3-benzoxazole)",o1c(nc2ccccc12)c3ccc(c4oc5ccccc5n4)c6ccccc36,o1c(nc2ccccc12)c3ccc(c4oc5ccccc5n4)c6ccccc36,InChI=1/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H,C24H14N2O2,,,,,,WFYSPVCBIJCZPX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.460,225-806-1,5089-72-5,N-[3-(triethoxysilyl)propyl]ethylenediamine,"N-[3-(triethoxysilyl)propyl]ethane-1,2-diamine",CCO[Si](CCCNCCN)(OCC)OCC,CCO[Si](CCCNCCN)(OCC)OCC,"InChI=1/C11H28N2O3Si/c1-4-14-17(15-5-2,16-6-3)11-7-9-13-10-8-12/h13H,4-12H2,1-3H3",C11H28N2O3Si,,,,,,INJVFBCDVXYHGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.461,225-807-7,5089-76-9,Tetrakis(1-methylpropyl) orthosilicate,tetra-sec-butyl orthosilicate,CCC(C)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC,CCC(C)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC,"InChI=1/C16H36O4Si/c1-9-13(5)17-21(18-14(6)10-2,19-15(7)11-3)20-16(8)12-4/h13-16H,9-12H2,1-8H3",C16H36O4Si,,,,,,OQTSOKXAWXRIAC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.464,225-810-3,5090-36-8,"3-(2-aminoethyl)-1H-indole-5,6-diol","3-(2-aminoethyl)-1H-indole-5,6-diol",NCCc1c[nH]c2cc(O)c(O)cc12,NCCc1c[nH]c2cc(O)c(O)cc12,"InChI=1/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2",C10H12N2O2,,,,,,SKOKLDQYOKPCPU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.465,225-811-9,5090-37-9,"4,5-dihydro-2-[(2-methylbenzo[b]thien-3-yl)methyl]-1H-imidazole monohydrochloride","2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole hydrochloride",Cl.Cc1sc2ccccc2c1CC3=NCCN3,Cl.Cc1sc2ccccc2c1CC3=NCCN3,"InChI=1/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H",C13H14N2S.ClH,,,,,,FPTJVMYMFXHIFO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.466,225-812-4,5094-24-6,Sodium 2-hydroxybutyrate,sodium 2-hydroxybutanoate,[Na+].CCC(O)C(=O)[O-],[Na+].CCC(O)C(=O)[O-],"InChI=1/C4H8O3.Na/c1-2-3(5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1",C4H8O3.Na,,,,,,MOSCXNXKSOHVSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.023.471,225-818-7,5098-94-2,4-[(2-methylphenyl)azo]naphthol,4-[(2-methylphenyl)diazenyl]-1-naphthol,Cc3ccccc3N=Nc1ccc(O)c2ccccc12,Cc3ccccc3N=Nc1ccc(O)c2ccccc12,"InChI=1/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-16-10-11-17(20)14-8-4-3-7-13(14)16/h2-11,20H,1H3",C17H14N2O,,,,,,PYFMJAMMVDSYFT-UHFFFAOYSA-N,,,,,,,,,,,
100.013.141,214-454-4,1129-69-7,2-hexylpyridine,2-hexylpyridine,CCCCCCc1ccccn1,CCCCCCc1ccccn1,"InChI=1/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3",C11H17N,,,,,,NZLJDTKLZIMONR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.145,214-459-1,1130-32-1,"3-azaspiro[5.5]undecane-2,4-dione","3-azaspiro[5.5]undecane-2,4-dione",O=C1CC2(CCCCC2)CC(=O)N1,O=C1CC2(CCCCC2)CC(=O)N1,"InChI=1/C10H15NO2/c12-8-6-10(7-9(13)11-8)4-2-1-3-5-10/h1-7H2,(H,11,12,13)",C10H15NO2,,,,,,FNIPRNMPSXNBDI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.150,214-464-9,1131-40-4,"2-bromo-1,3,5-trimethoxybenzene","2-bromo-1,3,5-trimethoxybenzene",COc1cc(OC)c(Br)c(OC)c1,COc1cc(OC)c(Br)c(OC)c1,"InChI=1/C9H11BrO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3",C9H11BrO3,,,,,,BPWYNWSOQOXOPI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.152,214-467-5,1131-61-9,4-phenylpyridine N-oxide,4-phenylpyridine 1-oxide,[O-][n+]1ccc(cc1)c2ccccc2,[O-][n+]1ccc(cc1)c2ccccc2,InChI=1/C11H9NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,C11H9NO,,,,,,VZOPVKZLLGMDDG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.170,214-486-9,1134-47-0,Baclofen,4-amino-3-(4-chlorophenyl)butanoic acid,NCC(CC(=O)O)c1ccc(Cl)cc1,NCC(CC(=O)O)c1ccc(Cl)cc1,"InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)",C10H12ClNO2,,,,,,KPYSYYIEGFHWSV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.193,224-411-1,8/09/4350,Oxitriptan,5-hydroxy-L-tryptophan,N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,"InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",C11H12N2O3,,,,,,LDCYZAJDBXYCGN-VIFPVBQESA-N,,,,,,,,,,,
100.022.195,224-413-2,4/10/4351,"2-hexyl-4-methyl-1,3-dioxolane","2-hexyl-4-methyl-1,3-dioxolane",CCCCCCC1OCC(C)O1,CCCCCCC1OCC(C)O1,"InChI=1/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3",C10H20O2,,,,,,GFNFPBSXMBRHRU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.202,224-421-6,9/01/4353,"4-methyl-2-styryl-1,3-dioxolane","4-methyl-2-(2-phenylvinyl)-1,3-dioxolane",CC1COC(O1)\\C=C\\c2ccccc2,CC1COC(O1)\C=C\c2ccccc2,"InChI=1/C12H14O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3",C12H14O2,,,,,,MQLAQZSLFAOEAK-BQYQJAHWSA-N,,,,,,,,,,,
100.022.204,224-423-7,4353-28-0,"3,6,9,12,15-pentaoxaheptadecane","3,6,9,12,15-pentaoxaheptadecane",CCOCCOCCOCCOCCOCC,CCOCCOCCOCCOCCOCC,"InChI=1/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3",C12H26O5,,,,,,HYDWALOBQJFOMS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.212,224-432-6,4357-95-3,(S)-2-amino-3-(p-hydroxyphenyl)-N-(2-naphthyl)propionamide,N-2-naphthyl-L-tyrosinamide,N[C@@H](Cc1ccc(O)cc1)C(=O)Nc2ccc3ccccc3c2,N[C@@H](Cc1ccc(O)cc1)C(=O)Nc2ccc3ccccc3c2,"InChI=1/C19H18N2O2/c20-18(11-13-5-9-17(22)10-6-13)19(23)21-16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18,22H,11,20H2,(H,21,23)",C19H18N2O2,,,,,,BZBYYTSHGRKCJJ-SFHVURJKSA-N,,,,,,,,,,,
100.022.216,224-436-8,4359-47-1,"2-(1-ethylpentyl)-1,3-dioxolane","2-(1-ethylpentyl)-1,3-dioxolane",CCCCC(CC)C1OCCO1,CCCCC(CC)C1OCCO1,"InChI=1/C10H20O2/c1-3-5-6-9(4-2)10-11-7-8-12-10/h9-10H,3-8H2,1-2H3",C10H20O2,,,,,,LQSZQAHPRJMRET-UHFFFAOYSA-N,,,,,,,,,,,
100.022.217,224-437-3,4359-54-0,"2-(2-furyl)-4-methyl-1,3-dioxolane","2-(2-furyl)-4-methyl-1,3-dioxolane",CC1COC(O1)c2occc2,CC1COC(O1)c2occc2,"InChI=1/C8H10O3/c1-6-5-10-8(11-6)7-3-2-4-9-7/h2-4,6,8H,5H2,1H3",C8H10O3,,,,,,YYYNPYRBPLTQJC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.221,224-442-0,4360-60-5,"2-phenethyl-1,3-dioxolane","2-(2-phenylethyl)-1,3-dioxolane",C(Cc1ccccc1)C2OCCO2,C(Cc1ccccc1)C2OCCO2,"InChI=1/C11H14O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5,11H,6-9H2",C11H14O2,,,,,,LEBHHJDUAJKLKG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.011,216-511-9,1604-40-6,"2,6-dinitroanthraquinone","2,6-dinitro-9,10-anthraquinone",[O-][N+](=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)[N+](=O)[O-],[O-][N+](=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)[N+](=O)[O-],InChI=1/C14H6N2O6/c17-13-9-3-1-7(15(19)20)5-11(9)14(18)10-4-2-8(16(21)22)6-12(10)13/h1-6H,C14H6N2O6,,,,,,OPXXCGAYBFDPHY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.017,216-518-7,1605-74-9,"1,2-dimethylquinolinium methyl sulphate","1,2-dimethylquinolinium methyl sulfate",COS(=O)(=O)[O-].Cc1ccc2ccccc2[n+]1C,COS(=O)(=O)[O-].Cc1ccc2ccccc2[n+]1C,"InChI=1/C11H12N.CH4O4S/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;1-5-6(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C11H12N.CH3O4S,,,,,,DYPVVNINWYTKOK-UHFFFAOYSA-M,,,,,,,,,,,
100.015.019,216-520-8,1606-01-5,"N,N-diethylglycine","N,N-diethylglycine",CCN(CC)CC(=O)O,CCN(CC)CC(=O)O,"InChI=1/C6H13NO2/c1-3-7(4-2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)",C6H13NO2,,,,,,SGXDXUYKISDCAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.020,216-521-3,1606-67-3,Pyren-1-ylamine,pyren-1-amine,Nc1ccc2ccc3cccc4ccc1c2c34,Nc1ccc2ccc3cccc4ccc1c2c34,"InChI=1/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2",C16H11N,,,,,,YZVWKHVRBDQPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.021,216-522-9,1606-79-7,"5-oxa-2-octyne-1,7-diol",4-(2-hydroxypropoxy)but-2-yn-1-ol,CC(O)COCC#CCO,CC(O)COCC#CCO,"InChI=1/C7H12O3/c1-7(9)6-10-5-3-2-4-8/h7-9H,4-6H2,1H3",C7H12O3,,,,,,GFDLMAQAFYECMB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.024,216-526-0,1606-85-5,"2,2'-but-2-ynylenedioxydiethanol","2,2'-[but-2-yne-1,4-diylbis(oxy)]diethanol",OCCOCC#CCOCCO,OCCOCC#CCOCCO,"InChI=1/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2",C8H14O4,,,,,,IXAWTPMDMPUGLV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.033,216-536-5,1608-67-9,Tetrahydro-2-furyl acetate,tetrahydrofuran-2-yl acetate,CC(=O)OC1CCCO1,CC(=O)OC1CCCO1,"InChI=1/C6H10O3/c1-5(7)9-6-3-2-4-8-6/h6H,2-4H2,1H3",C6H10O3,,,,,,DCMUJUQQBAFVLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.037,216-540-7,1609-19-4,Chlorodiethylsilane,chloro(diethyl)silane,CC[SiH](Cl)CC,CC[SiH](Cl)CC,"InChI=1/C4H11ClSi/c1-3-6(5)4-2/h6H,3-4H2,1-2H3",C4H11ClSi,,,,,,WEAGTHQEGNMQLU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.043,216-547-5,1610-17-9,Atraton,"N-ethyl-N'-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine",CCNc1nc(NC(C)C)nc(OC)n1,CCNc1nc(NC(C)C)nc(OC)n1,"InChI=1/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)",C9H17N5O,,,,,,PXWUKZGIHQRDHL-UHFFFAOYSA-N,Positive,EA015701|EA015702|EA015703|EA015704|EA015705|EA015706|EA015707|EA015708|EA015709|EA015710|EA015711|EA015712|EA015713|EA015714,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,170.1038:212.1513:114.0662|212.1505|212.1505:170.1035|212.1506:170.1038:96.0556|170.1037:212.1504:100.0506|170.1036:100.0505:142.0723|100.0506:68.0243:69.0083|212.1505:170.1033|212.1507:170.1037|212.1507:170.1038:96.0557|170.1037:212.1506:100.0506|170.1036:100.0506:142.0723|100.0505:68.0243:69.0083|170.1037:212.1505:114.0661,Eawag,,,,,
100.015.044,216-548-0,1610-18-0,Prometon,"N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine",COc1nc(NC(C)C)nc(NC(C)C)n1,COc1nc(NC(C)C)nc(NC(C)C)n1,"InChI=1/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)",C10H19N5O,,,,,,ISEUFVQQFVOBCY-UHFFFAOYSA-N,Positive,AU361901|AU361902|AU361903|AU361904|AU361905;EA013201|EA013202|EA013203|EA013204|EA013205|EA013206|EA013207|EA013208|EA013209|EA013210|EA013211|EA013212|EA013213|EA013214,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,226.166:227.1687:184.1179|226.166:184.1182:142.0714|142.0714:184.1182:226.1658|142.0717:184.1185:143.0737|142.0714:143.0745:125.0454;184.1195:142.0724:226.1663|226.1664|226.1666:184.1189:142.0727|226.1664:184.1195:142.0724|142.0724:184.1193:226.166|142.0725:100.0506:86.0349|142.0723:86.0349:100.0506|226.1662:184.1195:211.1418|226.1663:184.1193:142.0725|226.1662:184.1193:142.0724|142.0723:184.1193:226.1663|142.0724:86.035:100.0506|142.0724:86.0349:100.0506|184.1193:142.0724:226.1661,Athens_Univ;Eawag,,,,,
100.026.503,229-153-3,6420-28-6,"Tetrasodium 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo-4,1-phenylenecarbonylimino]]bis[5-sulphonatosalicylate]",tetrasodium 3-[(4-{[4-({[4-({4-[(3-carboxylato-2-hydroxy-5-sulfonatophenyl)carbamoyl]phenyl}diazenyl)-3-methylphenyl]carbamoyl}amino)-2-methylphenyl]diazenyl}benzoyl)amino]-2-hydroxy-5-sulfonatobenzoate,[Na+].[Na+].[Na+].[Na+].Oc6c(cc(cc6NC(=O)c5ccc(N=Nc4ccc(NC(=O)Nc3cc(C)c(N=Nc1ccc(cc1)C(=O)Nc2cc(cc(C([O-])=O)c2O)S([O-])(=O)=O)cc3)cc4C)cc5)S([O-])(=O)=O)C([O-])=O,[Na+].[Na+].[Na+].[Na+].Oc6c(cc(cc6NC(=O)c5ccc(N=Nc4ccc(NC(=O)Nc3cc(C)c(N=Nc1ccc(cc1)C(=O)Nc2cc(cc(C([O-])=O)c2O)S([O-])(=O)=O)cc3)cc4C)cc5)S([O-])(=O)=O)C([O-])=O,"InChI=1/C43H34N8O15S2.4Na/c1-21-15-27(11-13-33(21)50-48-25-7-3-23(4-8-25)39(54)46-35-19-29(67(61,62)63)17-31(37(35)52)41(56)57)44-43(60)45-28-12-14-34(22(2)16-28)51-49-26-9-5-24(6-10-26)40(55)47-36-20-30(68(64,65)66)18-32(38(36)53)42(58)59;;;;/h3-20,52-53H,1-2H3,(H,46,54)(H,47,55)(H,56,57)(H,58,59)(H2,44,45,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4",C43H34N8O15S2.4Na,,,,,,ZNVVYQUTMUNBTP-UHFFFAOYSA-J,,,,,,,,,,,
100.026.506,229-157-5,6420-32-2,"Tetrasodium 4,4'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-2,6-disulphonate)","tetrasodium 4-({4-[({4-[(3,7-disulfonato-1-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-2,6-disulfonate",[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1ccc(cc12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3ccc(cc34)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1ccc(cc12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3ccc(cc34)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,"InChI=1/C37H32N6O15S4.4Na/c1-19-9-33(35(57-3)17-29(19)40-42-31-15-25(61(51,52)53)11-21-5-7-23(13-27(21)31)59(45,46)47)38-37(44)39-34-10-20(2)30(18-36(34)58-4)41-43-32-16-26(62(54,55)56)12-22-6-8-24(14-28(22)32)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C37H32N6O15S4.4Na,,,,,,KHPLYADBVQXNKX-UHFFFAOYSA-J,,,,,,,,,,,
100.026.508,229-159-6,6420-38-8,"Disodium 7,7'-iminobis[3-[(2,4-dimethylphenyl)azo]-4-hydroxynaphthalene-2-sulphonate]","disodium 7,7'-iminobis{3-[(2,4-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate}",[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccc(C)cc2C)Nc4ccc6c(c4)cc(c(N=Nc5ccc(C)cc5C)c6O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccc(C)cc2C)Nc4ccc6c(c4)cc(c(N=Nc5ccc(C)cc5C)c6O)S([O-])(=O)=O,"InChI=1/C36H31N5O8S2.2Na/c1-19-5-11-29(21(3)13-19)38-40-33-31(50(44,45)46)17-23-15-25(7-9-27(23)35(33)42)37-26-8-10-28-24(16-26)18-32(51(47,48)49)34(36(28)43)41-39-30-12-6-20(2)14-22(30)4;;/h5-18,37,42-43H,1-4H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C36H31N5O8S2.2Na,,,,,,RCTVEBBEUVRZRT-UHFFFAOYSA-L,,,,,,,,,,,
100.026.513,229-164-3,6420-44-6,Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate,trisodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccc(cc1C)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccc(cc1C)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O,"InChI=1/C35H28N6O13S3.3Na/c1-18-13-23(55(45,46)47)9-12-26(18)38-40-31-29(56(48,49)50)16-19-14-21(7-10-24(19)33(31)42)36-35(44)37-22-8-11-25-20(15-22)17-30(57(51,52)53)32(34(25)43)41-39-27-5-3-4-6-28(27)54-2;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C35H28N6O13S3.3Na,,,,,,MSBHLDQWHHNCML-UHFFFAOYSA-K,,,,,,,,,,,
100.026.514,229-165-9,6420-46-8,"Disodium 7,7'-(carbonyldiimino)bis[3-[(3-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate]",disodium 3-[(3-aminophenyl)diazenyl]-7-[({6-[(3-aminophenyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}carbamoyl)amino]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2cccc(N)c2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5cccc(N)c5)c6O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2cccc(N)c2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5cccc(N)c5)c6O)S([O-])(=O)=O,"InChI=1/C33H26N8O9S2.2Na/c34-19-3-1-5-23(15-19)38-40-29-27(51(45,46)47)13-17-11-21(7-9-25(17)31(29)42)36-33(44)37-22-8-10-26-18(12-22)14-28(52(48,49)50)30(32(26)43)41-39-24-6-2-4-20(35)16-24;;/h1-16,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C33H26N8O9S2.2Na,,,,,,UMAIIVFLTQPNJF-UHFFFAOYSA-L,,,,,,,,,,,
100.026.515,229-166-4,6420-47-9,"2-sec-butyl-4,6-dinitrophenol, compound with 2,2',2''-nitrilotriethanol (1:1)","2,2',2''-nitrilotriethanol - 2-sec-butyl-4,6-dinitrophenol (1:1)",CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-].OCCN(CCO)CCO,CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-].OCCN(CCO)CCO,"InChI=1/C10H12N2O5.C6H15NO3/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;8-4-1-7(2-5-9)3-6-10/h4-6,13H,3H2,1-2H3;8-10H,1-6H2",C10H12N2O5.C6H15NO3,,,,,,YRKPPLCJMDGOOY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.517,229-169-0,1/04/6421,"Diethyl 4,4'-azoxybisbenzoate",ethyl 4-{[4-(ethoxycarbonyl)phenyl]-NNO-azoxy}benzoate,CCOC(=O)c1ccc(cc1)N=N(=O)c2ccc(cc2)C(=O)OCC,CCOC(=O)c1ccc(cc1)N=N(=O)c2ccc(cc2)C(=O)OCC,"InChI=1/C18H18N2O5/c1-3-24-17(21)13-5-9-15(10-6-13)19-20(23)16-11-7-14(8-12-16)18(22)25-4-2/h5-12H,3-4H2,1-2H3",C18H18N2O5,,,,,,LOOVRYZFUGHEMF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.520,229-172-7,6421-80-3,4-[[4-[(4-hydroxyphenyl)amino]phenyl]amino]benzenesulphonic acid,4-({4-[(4-hydroxyphenyl)amino]phenyl}amino)benzenesulfonic acid,Oc1ccc(Nc2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)cc1,Oc1ccc(Nc2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)cc1,"InChI=1/C18H16N2O4S/c21-17-9-5-15(6-10-17)19-13-1-3-14(4-2-13)20-16-7-11-18(12-8-16)25(22,23)24/h1-12,19-21H,(H,22,23,24)",C18H16N2O4S,,,,,,SLPOAOGIPUBKLV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.355,225-690-2,5011-34-7,Trimetazidine,"1-(2,3,4-trimethoxybenzyl)piperazine",COc1ccc(CN2CCNCC2)c(OC)c1OC,COc1ccc(CN2CCNCC2)c(OC)c1OC,"InChI=1/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3",C14H22N2O3,,,,,,UHWVSEOVJBQKBE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.360,225-696-5,5015-38-3,Barium 2-cyanoethyl phosphate,barium 2-cyanoethyl phosphate,[Ba+2].[O-]P(=O)([O-])OCCC#N,[Ba+2].[O-]P(=O)([O-])OCCC#N,"InChI=1/C3H6NO4P.Ba/c4-2-1-3-8-9(5,6)7;/h1,3H2,(H2,5,6,7);/q;+2/p-2",C3H6NO4P.Ba,,,,,,MRQIDZJGQMWVQR-UHFFFAOYSA-L,,,,,,,,,,,
100.023.361,225-697-0,5018-30-4,Dimethyl methoxymalonate,dimethyl methoxymalonate,COC(C(=O)OC)C(=O)OC,COC(C(=O)OC)C(=O)OC,"InChI=1/C6H10O5/c1-9-4(5(7)10-2)6(8)11-3/h4H,1-3H3",C6H10O5,,,,,,ORXJMBXYSGGCHG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.362,225-698-6,5018-31-5,2-methoxymalonamide,2-methoxymalonamide,COC(C(=O)N)C(=O)N,COC(C(=O)N)C(=O)N,"InChI=1/C4H8N2O3/c1-9-2(3(5)7)4(6)8/h2H,1H3,(H2,5,7)(H2,6,8)",C4H8N2O3,,,,,,ZSPWEJMLRCUCIX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.369,225-705-2,5020-41-7,3-methoxyphenethyl alcohol,2-(3-methoxyphenyl)ethanol,COc1cccc(CCO)c1,COc1cccc(CCO)c1,"InChI=1/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3",C9H12O2,,,,,,UPPGEJSCUZMCMW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.014,223-114-4,3737-55-1,Sodium 2-[methyl(1-oxohexadecyl)amino]ethanesulphonate,sodium 2-[methyl(palmitoyl)amino]ethanesulfonate,[Na+].CCCCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],"InChI=1/C19H39NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)20(2)17-18-25(22,23)24;/h3-18H2,1-2H3,(H,22,23,24);/q;+1/p-1",C19H39NO4S.Na,,,,,,PWWJJDVDTKXWOF-UHFFFAOYSA-M,,,,,,,,,,,
100.021.016,223-117-0,3737-95-9,"2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid",3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthyl)diazenyl]-2-naphthoic acid,OC(=O)c1cc2ccccc2c(N=Nc3c(O)cc(c4ccccc34)S(=O)(=O)O)c1O,OC(=O)c1cc2ccccc2c(N=Nc3c(O)cc(c4ccccc34)S(=O)(=O)O)c1O,"InChI=1/C21H14N2O7S/c24-16-10-17(31(28,29)30)13-7-3-4-8-14(13)18(16)22-23-19-12-6-2-1-5-11(12)9-15(20(19)25)21(26)27/h1-10,24-25H,(H,26,27)(H,28,29,30)",C21H14N2O7S,,,,,,MVQBFZXBLLMXGS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.019,223-120-7,3739-30-8,2-hydroxy-2-methylbutyric acid,2-hydroxy-2-methylbutanoic acid,CCC(C)(O)C(=O)O,CCC(C)(O)C(=O)O,"InChI=1/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)",C5H10O3,,,,,,MBIQENSCDNJOIY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.020,223-121-2,3739-38-6,3-phenoxybenzoic acid,3-phenoxybenzoic acid,OC(=O)c1cccc(Oc2ccccc2)c1,OC(=O)c1cccc(Oc2ccccc2)c1,"InChI=1/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)",C13H10O3,,,,,,NXTDJHZGHOFSQG-UHFFFAOYSA-N,Positive/Negative,EA032601|EA032609|EA032614,[M+H]+,CID35|HCD30|CID35,171.0802|171.0799|171.0803,Eawag,AU200551;EA032651|EA032652|EA032653|EA032654|EA032655|EA032656|EA032657|EA032658|EA032659|EA032660|EA032661|EA032662|EA032663|EA032664,[M-H]-;[M-H]-,CID10;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,213.0543:169.0644:214.0576;169.0661:93.0345:167.0502|213.0557:169.066:93.0343|169.0659:93.0345:213.0557|93.0345:169.0658:213.056|93.0346|93.0345|93.0345|213.0556:169.0658:93.0342|169.0657:93.0344:213.0553|93.0345:169.0658:213.0554|93.0345|93.0345|93.0345|169.066:93.0344:167.0495,Athens_Univ;Eawag
100.021.029,223-131-7,3741-38-6,Ethylene sulphite,"1,3,2-dioxathiolane 2-oxide",O=S1OCCO1,O=S1OCCO1,InChI=1/C2H4O3S/c3-6-4-1-2-5-6/h1-2H2,C2H4O3S,,,,,,WDXYVJKNSMILOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.030,223-132-2,3741-77-3,"2,4,6-tribromophenyl acrylate","2,4,6-tribromophenyl acrylate",Brc1cc(Br)c(OC(=O)C=C)c(Br)c1,Brc1cc(Br)c(OC(=O)C=C)c(Br)c1,"InChI=1/C9H5Br3O2/c1-2-8(13)14-9-6(11)3-5(10)4-7(9)12/h2-4H,1H2",C9H5Br3O2,,,,,,CNLVUQQHXLTOTC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.038,223-141-1,3746-67-6,3-acetamido-4-methoxybenzenesulphonyl chloride,3-acetamido-4-methoxybenzenesulfonyl chloride,COc1ccc(cc1NC(=O)C)S(=O)(=O)Cl,COc1ccc(cc1NC(=O)C)S(=O)(=O)Cl,"InChI=1/C9H10ClNO4S/c1-6(12)11-8-5-7(16(10,13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,11,12)",C9H10ClNO4S,,,,,,KRKMAUKQDRAOFI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.044,223-147-4,3748-70-7,Dimethyl 5-(1-hydroxy-N-octadecyl-2-naphthamido)isophthalate,dimethyl 5-[(1-hydroxy-2-naphthoyl)(octadecyl)amino]isophthalate,CCCCCCCCCCCCCCCCCCN(C(=O)c1ccc2ccccc2c1O)c3cc(cc(c3)C(=O)OC)C(=O)OC,CCCCCCCCCCCCCCCCCCN(C(=O)c1ccc2ccccc2c1O)c3cc(cc(c3)C(=O)OC)C(=O)OC,"InChI=1/C39H53NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-40(33-28-31(38(43)45-2)27-32(29-33)39(44)46-3)37(42)35-25-24-30-22-19-20-23-34(30)36(35)41/h19-20,22-25,27-29,41H,4-18,21,26H2,1-3H3",C39H53NO6,,,,,,XOWCGAANUVRYOR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.046,223-150-0,3749-36-8,"3,4-dihydro-2H-pyran-2-methanol","3,4-dihydro-2H-pyran-2-ylmethanol",OCC1CCC=CO1,OCC1CCC=CO1,"InChI=1/C6H10O2/c7-5-6-3-1-2-4-8-6/h2,4,6-7H,1,3,5H2",C6H10O2,,,,,,XMICBFRKICBBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.047,223-151-6,3749-87-9,"Methyl 3-a,7-a-diacetoxy-12-a-hydroxy-5-ß-cholan-24-oate","methyl 3,7-diacetoxy-12-hydroxycholan-24-oate",COC(=O)CCC(C)C1CCC2C3C(CC4CC(CCC4(C)C3CC(O)C12C)OC(=O)C)OC(=O)C,COC(=O)CCC(C)C1CCC2C3C(CC4CC(CCC4(C)C3CC(O)C12C)OC(=O)C)OC(=O)C,"InChI=1/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3",C29H46O7,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8343,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.047,VKXXPYARELKQOY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.050,223-154-2,3752-25-8,o-chlorocinnamic acid,3-(2-chlorophenyl)acrylic acid,OC(=O)\\C=C\\c1ccccc1Cl,OC(=O)\C=C\c1ccccc1Cl,"InChI=1/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)",C9H7ClO2,,,,,,KJRRTHHNKJBVBO-AATRIKPKSA-N,,,,,,,,,,,
100.013.172,214-489-5,1135-23-5,3-(4-hydroxy-3-methoxyphenyl)propionic acid,3-(4-hydroxy-3-methoxyphenyl)propanoic acid,COc1cc(CCC(=O)O)ccc1O,COc1cc(CCC(=O)O)ccc1O,"InChI=1/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)",C10H12O4,,,,,,BOLQJTPHPSDZHR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.182,214-500-3,1136-77-2,"4,6-dimethyldibenzofuran","4,6-dimethyldibenzo[b,d]furan",Cc1cccc2c1oc3c(C)cccc23,Cc1cccc2c1oc3c(C)cccc23,"InChI=1/C14H12O/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3",C14H12O,,,,,,PVBRAGJTHQZENQ-UHFFFAOYSA-N,,,,,,,,,,,
100.013.185,214-504-5,1137-12-8,"[1S-(1a,2a,3aß,4a,8aß,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene","1,5,5,8a-tetramethyldecahydro-1,2,4-(methanetriyl)azulene",CC1(C)CCCC2(C)C3CC4C(C13)C24C,CC1(C)CCCC2(C)C3CC4C(C13)C24C,"InChI=1/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3",C15H24,,,,,,WCEIQUQVIOGRBF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.186,214-505-0,1137-36-6,"4-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-2-methylbutanol","4-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-2-methylbutan-1-ol",CC2(C)C1CCC(C1)C2=CCC(C)CO,CC2(C)C1CCC(C1)C2=CCC(C)CO,"InChI=1/C14H24O/c1-10(9-15)4-7-13-11-5-6-12(8-11)14(13,2)3/h7,10-12,15H,4-6,8-9H2,1-3H3",C14H24O,,,,,,FQPGTHPPMYPBEG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.187,214-506-6,1137-41-3,4-aminobenzophenone,(4-aminophenyl)(phenyl)methanone,Nc1ccc(cc1)C(=O)c2ccccc2,Nc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2",C13H11NO,,,,,,RBKHNGHPZZZJCI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.777,226-154-0,5304-29-0,"6-ethoxy-N,N-dimethylbenzothiazol-2-amine","6-ethoxy-N,N-dimethyl-1,3-benzothiazol-2-amine",CCOc1ccc2nc(sc2c1)N(C)C,CCOc1ccc2nc(sc2c1)N(C)C,"InChI=1/C11H14N2OS/c1-4-14-8-5-6-9-10(7-8)15-11(12-9)13(2)3/h5-7H,4H2,1-3H3",C11H14N2OS,,,,,,AOKXEGLNJFYAGV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.779,226-156-1,5305-82-8,"2,2-bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)","2,2-bis(chloromethyl)propane-1,3-diyl bis(dichlorophosphate)",ClCC(CCl)(COP(=O)(Cl)Cl)COP(=O)(Cl)Cl,ClCC(CCl)(COP(=O)(Cl)Cl)COP(=O)(Cl)Cl,"InChI=1/C5H8Cl6O4P2/c6-1-5(2-7,3-14-16(8,9)12)4-15-17(10,11)13/h1-4H2",C5H8Cl6O4P2,,,,,,TZPHRHGGIAEPLI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.786,226-164-5,5307-14-2,2-nitro-p-phenylenediamine,"2-nitrobenzene-1,4-diamine",Nc1ccc(N)c(c1)[N+](=O)[O-],Nc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2",C6H7N3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17405,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.786,HVHNMNGARPCGGD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.787,226-165-0,5307-99-3,"7,7-dichlorobicyclo[3.2.0]hept-2-en-6-one","7,7-dichlorobicyclo[3.2.0]hept-2-en-6-one",ClC1(Cl)C2C=CCC2C1=O,ClC1(Cl)C2C=CCC2C1=O,"InChI=1/C7H6Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-5H,2H2",C7H6Cl2O,,,,,,JBPBARAOHIDZPU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.788,226-166-6,5308-25-8,1-ethylpiperazine,1-ethylpiperazine,CCN1CCNCC1,CCN1CCNCC1,"InChI=1/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3",C6H14N2,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/5372,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.788,WGCYRFWNGRMRJA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.802,226-181-8,5321-31-3,(2-chloro-2-oxo-1-phenylethyl)ammonium chloride,2-chloro-2-oxo-1-phenylethanaminium chloride,[Cl-].[NH3+]C(C(=O)Cl)c1ccccc1,[Cl-].[NH3+]C(C(=O)Cl)c1ccccc1,"InChI=1/C8H8ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-5,7H,10H2;1H",C8H8ClNO.ClH,,,,,,GVVFCAFBYHYGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.804,226-183-9,5321-47-1,1-(2-methylbenzyl)piperazine,1-(2-methylbenzyl)piperazine,Cc1ccccc1CN2CCNCC2,Cc1ccccc1CN2CCNCC2,"InChI=1/C12H18N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3",C12H18N2,,,,,,GRVNOUKHAZXMJK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.806,226-186-5,5321-49-3,1-phenethylpiperazine,1-(2-phenylethyl)piperazine,C(Cc1ccccc1)N2CCNCC2,C(Cc1ccccc1)N2CCNCC2,"InChI=1/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2",C12H18N2,,,,,,LKUAPSRIYZLAAO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.809,226-189-1,5323-50-2,N-propylphthalimide,"2-propyl-1H-isoindole-1,3(2H)-dione",CCCN1C(=O)c2ccccc2C1=O,CCCN1C(=O)c2ccccc2C1=O,"InChI=1/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3",C11H11NO2,,,,,,RLARUBPTQYKZKA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.967,215-363-2,1324-11-4,"Dibromodibenzo[b,def]chrysene-7,14-dione","1,2-dibromodibenzo[c,pqr]tetraphene-7,14-dione",Brc1ccc2c3ccc4C(=O)c5ccccc5c6ccc(C(=O)c2c1Br)c3c46,Brc1ccc2c3ccc4C(=O)c5ccccc5c6ccc(C(=O)c2c1Br)c3c46,InChI=1/C24H10Br2O2/c25-18-10-9-14-13-6-7-16-19-12(11-3-1-2-4-15(11)23(16)27)5-8-17(20(13)19)24(28)21(14)22(18)26/h1-10H,C24H10Br2O2,,,,,,VAAJRTXBNUYYAG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.974,215-371-6,1324-29-4,"Sodium 5,6,9,14,15,18-hexahydro-5,9,14,18-tetraoxoanthrazinesulphonate","sodium 5,9,14,18-tetraoxo-5,6,9,14,15,18-hexahydrodinaphtho[2,3-a:2',3'-h]phenazine-1-sulfonate",[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc3C(=O)c12,[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3c4Nc5ccc6C(=O)c7ccccc7C(=O)c6c5Nc4ccc3C(=O)c12,"InChI=1/C28H14N2O7S.Na/c31-25-12-4-1-2-5-13(12)26(32)21-15(25)8-10-17-23(21)29-18-11-9-16-22(24(18)30-17)28(34)14-6-3-7-19(38(35,36)37)20(14)27(16)33;/h1-11,29-30H,(H,35,36,37);/q;+1/p-1",C28H14N2O7S.Na,,,,,,MCMQCTRZELFHCC-UHFFFAOYSA-M,,,,,,,,,,,
100.015.045,216-549-6,1610-29-3,2-methylpent-2-en-1-ol,2-methylpent-2-en-1-ol,CC(=CCC)CO,CC(=CCC)CO,"InChI=1/C6H12O/c1-3-4-6(2)5-7/h4,7H,3,5H2,1-2H3",C6H12O,,,,,,KIKXGIRAIYTCRB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.047,216-551-7,1610-52-2,"11,20-dioxo-5-ß-pregnan-3-a-yl acetate","11,20-dioxopregnan-3-yl acetate",CC(=O)OC1CCC2(C)C(CCC3C4CCC(C(=O)C)C4(C)CC(=O)C23)C1,CC(=O)OC1CCC2(C)C(CCC3C4CCC(C(=O)C)C4(C)CC(=O)C23)C1,"InChI=1/C23H34O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h15-19,21H,5-12H2,1-4H3",C23H34O4,,,,,,NNMJHVBZUSISMC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.054,216-559-0,1613-17-8,"N,N-dimethyloctadecylamine hydrochloride","N,N-dimethyloctadecan-1-amine hydrochloride",Cl.CCCCCCCCCCCCCCCCCCN(C)C,Cl.CCCCCCCCCCCCCCCCCCN(C)C,"InChI=1/C20H43N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;/h4-20H2,1-3H3;1H",C20H43N.ClH,,,,,,PFKRTWCFCOUBHS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.061,216-566-9,1615-70-9,"Penta-2,4-dienenitrile","penta-2,4-dienenitrile",C=CC=CC#N,C=CC=CC#N,"InChI=1/C5H5N/c1-2-3-4-5-6/h2-4H,1H2",C5H5N,,,,,,STSRVFAXSLNLLI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.063,223-168-9,3759-61-3,1-naphthyl chloroformate,1-naphthyl chlorocarbonate,ClC(=O)Oc1cccc2ccccc12,ClC(=O)Oc1cccc2ccccc12,InChI=1/C11H7ClO2/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C11H7ClO2,,,,,,JRUFQZPDRRGHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.064,223-169-4,3759-92-0,5-(morpholinomethyl)-3-[[(5-nitro-2-furyl)methylene]amino]oxazolidine-2-one hydrochloride,"5-(morpholin-4-ylmethyl)-3-{[(5-nitro-2-furyl)methylene]amino}-1,3-oxazolidin-2-one hydrochloride",Cl.[O-][N+](=O)c1ccc(o1)C=NN2CC(OC2=O)CN3CCOCC3,Cl.[O-][N+](=O)c1ccc(o1)C=NN2CC(OC2=O)CN3CCOCC3,"InChI=1/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H",C13H16N4O6.ClH,,,,,,PPSVFZXMDMUIGB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.073,223-179-9,3761-94-2,1-methylcycloheptan-1-ol,1-methylcycloheptanol,CC1(O)CCCCCC1,CC1(O)CCCCCC1,"InChI=1/C8H16O/c1-8(9)6-4-2-3-5-7-8/h9H,2-7H2,1H3",C8H16O,,,,,,XFFKAYOHINCUNU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.083,223-190-9,3767-59-7,2-[4-[2-(benzoxazol-2-yl)vinyl]phenyl]-5-methylbenzoxazole,"2-{4-[2-(1,3-benzoxazol-2-yl)vinyl]phenyl}-5-methyl-1,3-benzoxazole",Cc1ccc2oc(nc2c1)c3ccc(\\C=C\\c4oc5ccccc5n4)cc3,Cc1ccc2oc(nc2c1)c3ccc(\C=C\c4oc5ccccc5n4)cc3,"InChI=1/C23H16N2O2/c1-15-6-12-21-19(14-15)25-23(27-21)17-10-7-16(8-11-17)9-13-22-24-18-4-2-3-5-20(18)26-22/h2-14H,1H3",C23H16N2O2,,,,,,DVYLUICLRMFHRU-UKTHLTGXSA-N,,,,,,,,,,,
100.021.087,223-195-6,3768-18-1,4-acetyl-1-(beta-D-ribofuranosyl)cytosine,4-acetylcytidine,CC(=O)C1(N)NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,CC(=O)C1(N)NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,"InChI=1/C11H17N3O6/c1-5(16)11(12)2-3-14(10(19)13-11)9-8(18)7(17)6(4-15)20-9/h2-3,6-9,15,17-18H,4,12H2,1H3,(H,13,19)",C11H15N3O6,,,,,,BCZUPRDAAVVBSO-MJXNYTJMSA-N,,,,,,,,,,,
100.021.091,223-199-8,3768-57-8,Heptamethylsilanetriamine,"N,N,N',N',N'',N'',1-heptamethylsilanetriamine",CN(C)[Si](C)(N(C)C)N(C)C,CN(C)[Si](C)(N(C)C)N(C)C,"InChI=1/C7H21N3Si/c1-8(2)11(7,9(3)4)10(5)6/h1-7H3",C7H21N3Si,,,,,,AHKKZIUZTWZKDR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.103,223-212-7,3771-14-0,4-hydroxynaphthalene-2-sulphonic acid,4-hydroxynaphthalene-2-sulfonic acid,Oc1cc(cc2ccccc12)S(=O)(=O)O,Oc1cc(cc2ccccc12)S(=O)(=O)O,"InChI=1/C10H8O4S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6,11H,(H,12,13,14)",C10H8O4S,,,,,,HKWPUUYEGGDLJF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.105,223-214-8,3772-23-4,"2,2'-butylidenebis[4,6-xylenol]","2,2'-butane-1,4-diylbis(4,6-dimethylphenol)",Cc1cc(C)c(O)c(CCCCc2cc(C)cc(C)c2O)c1,Cc1cc(C)c(O)c(CCCCc2cc(C)cc(C)c2O)c1,"InChI=1/C20H26O2/c1-13-9-15(3)19(21)17(11-13)7-5-6-8-18-12-14(2)10-16(4)20(18)22/h9-12,21-22H,5-8H2,1-4H3",C20H26O2,,,,,,WIDWYXNFFSBCFM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.108,223-217-4,3772-55-2,"[1R-(1a,4aß,10aa)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol","abieta-8,11,13-trien-18-ol",CC(C)c1ccc2c(CCC3C(C)(CO)CCCC23C)c1,CC(C)c1ccc2c(CCC3C(C)(CO)CCCC23C)c1,"InChI=1/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3",C20H30O,,,,,,WSKGRAGZAQRSED-UHFFFAOYSA-N,,,,,,,,,,,
100.021.110,223-220-0,3772-94-9,Pentachlorophenyl laurate,pentachlorophenyl laurate,CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C18H23Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12(24)25-18-16(22)14(20)13(19)15(21)17(18)23/h2-11H2,1H3",C18H23Cl5O2,,,,,,MKNJWAXSYGAMGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.931,219-724-5,2510-36-3,"3,5-dimethylisoxazole-4-carboxylic acid","3,5-dimethylisoxazole-4-carboxylic acid",Cc1onc(C)c1C(=O)O,Cc1onc(C)c1C(=O)O,"InChI=1/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)",C6H7NO3,,,,,,IJEUISLJVBUNRE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.933,219-726-6,2510-95-4,"2,3-diphenylacrylonitrile","2,3-diphenylacrylonitrile",N#C\\C(=C/c1ccccc1)\\c2ccccc2,N#C\C(=C/c1ccccc1)\c2ccccc2,InChI=1/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H,C15H11N,,,,,,VFOKYTYWXOYPOX-RVDMUPIBSA-N,,,,,,,,,,,
100.026.523,229-175-3,6422-83-9,"1,1'-(4-methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione","1,1'-(4-methyl-1,3-phenylene)bis(1H-pyrrole-2,5-dione)",Cc1ccc(cc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,Cc1ccc(cc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,"InChI=1/C15H10N2O4/c1-9-2-3-10(16-12(18)4-5-13(16)19)8-11(9)17-14(20)6-7-15(17)21/h2-8H,1H3",C15H10N2O4,,,,,,FJKKJQRXSPFNPM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.026,225-328-3,4783-68-0,Phenyl 2-pyridyl ether,2-phenoxypyridine,O(c1ccccc1)c2ccccn2,O(c1ccccc1)c2ccccn2,InChI=1/C11H9NO/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H,C11H9NO,,,,,,MEAAWTRWNWSLPF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.032,225-335-1,4786-20-3,Crotononitrile,but-2-enenitrile,C\\C=C\\C#N,C\C=C\C#N,"InChI=1/C4H5N/c1-2-3-4-5/h2-3H,1H3",C4H5N,,,,,,NKKMVIVFRUYPLQ-NSCUHMNNSA-N,,,,,,,,,,,
100.023.034,225-337-2,4787-93-3,"Disodium 3-((2,4-dimethylphenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate","disodium 3-[(2,4-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc3c(c1)cc(c(N=Nc2ccc(C)cc2C)c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc3c(c1)cc(c(N=Nc2ccc(C)cc2C)c3O)S([O-])(=O)=O,"InChI=1/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-16(29(25,26)27)9-12-8-13(28(22,23)24)4-5-14(12)18(17)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H16N2O7S2.2Na,,,,,,JBGACYCWOALKCS-UHFFFAOYSA-L,,,,,,,,,,,
100.023.043,225-347-7,4792-83-0,"4,4'-azoxyphenetole",1-ethoxy-4-[(4-ethoxyphenyl)-NNO-azoxy]benzene,CCOc1ccc(cc1)N=N(=O)c2ccc(OCC)cc2,CCOc1ccc(cc1)N=N(=O)c2ccc(OCC)cc2,"InChI=1/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3",C16H18N2O3,,,,,,QUICZVHSJNKDBL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.044,225-348-2,4793-61-7,2-[(benzyl)amino]-4-chloro-5-sulphamoylbenzamide,2-(benzylamino)-4-chloro-5-sulfamoylbenzamide,NC(=O)c1cc(c(Cl)cc1NCc2ccccc2)S(=O)(=O)N,NC(=O)c1cc(c(Cl)cc1NCc2ccccc2)S(=O)(=O)N,"InChI=1/C14H14ClN3O3S/c15-11-7-12(18-8-9-4-2-1-3-5-9)10(14(16)19)6-13(11)22(17,20)21/h1-7,18H,8H2,(H2,16,19)(H2,17,20,21)",C14H14ClN3O3S,,,,,,RHUWQQVQZFRKRU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.046,225-350-3,4794-41-6,2-chloroethanesulphonyl isocyanate,2-chloroethanesulfonyl isocyanate,ClCCS(=O)(=O)N=C=O,ClCCS(=O)(=O)N=C=O,"InChI=1/C3H4ClNO3S/c4-1-2-9(7,8)5-3-6/h1-2H2",C3H4ClNO3S,,,,,,GIWHJVQUZDWFDI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.048,225-352-4,4795-86-2,"[1R-(1a,2ß,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptane","2,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,CC1CCC2CC1C2(C)C,"InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3",C10H18,,,,,,XOKSLPVRUOBDEW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.050,225-355-0,4798-44-1,Hex-1-en-3-ol,hex-1-en-3-ol,CCCC(O)C=C,CCCC(O)C=C,"InChI=1/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3",C6H12O,,,,,,BVOSSZSHBZQJOI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.456,231-301-7,7488-54-2,Rubidium sulphate,dirubidium sulfate,[Rb+].[Rb+].[O-]S(=O)(=O)[O-],[Rb+].[Rb+].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.2Rb/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2",H2O4S.2Rb,,,,,,GANPIEKBSASAOC-UHFFFAOYSA-L,,,,,,,,,,,
100.028.461,231-306-4,3/02/7491,Diisopropyl sebacate,diisopropyl sebacate,CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C,CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C,"InChI=1/C16H30O4/c1-13(2)19-15(17)11-9-7-5-6-8-10-12-16(18)20-14(3)4/h13-14H,5-12H2,1-4H3",C16H30O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10094,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.461,XFKBBSZEQRFVSL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.464,231-310-6,7491-20-5,Dodecylammonium lactate,dodecan-1-aminium 2-hydroxypropanoate,CCCCCCCCCCCC[NH3+].CC(O)C(=O)[O-],CCCCCCCCCCCC[NH3+].CC(O)C(=O)[O-],"InChI=1/C12H27N.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2(4)3(5)6/h2-13H2,1H3;2,4H,1H3,(H,5,6)",C12H27N.C3H6O3,,,,,,GVHKXTXVQJKDEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.466,231-312-7,7491-74-9,Piracetam,2-(2-oxopyrrolidin-1-yl)acetamide,NC(=O)CN1CCCC1=O,NC(=O)CN1CCCC1=O,"InChI=1/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)",C6H10N2O2,,,,,,GMZVRMREEHBGGF-UHFFFAOYSA-N,Positive,EQ307601|EQ307602|EQ307603|EQ307604|EQ307605|EQ307606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,98.06:126.055:70.0651|98.06:126.055:70.0651|98.06:126.0549:70.0651|98.06:70.0651:126.0549|98.0601:70.0651:69.0335|98.0601:70.0651:69.0335,Eawag,,,,,
100.028.467,231-313-2,7492-18-4,Sodium a-hydroxybenzylphosphinate,sodium [hydroxy(phenyl)methyl]phosphinate,[Na+].OC(c1ccccc1)P(=O)[O-],[Na+].OC(c1ccccc1)P(=O)[O-],"InChI=1/C7H9O3P.Na/c8-7(11(9)10)6-4-2-1-3-5-6;/h1-5,7-8,11H,(H,9,10);/q;+1/p-1",C7H9O3P.Na,,,,,,UVDFAEQYRCPBRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.477,231-324-2,7492-67-3,"[(3,7-dimethyl-6-octenyl)oxy]acetaldehyde","[(3,7-dimethyloct-6-en-1-yl)oxy]acetaldehyde",CC(CCOCC=O)CCC=C(C)C,CC(CCOCC=O)CCC=C(C)C,"InChI=1/C12H22O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,8,12H,4,6-7,9-10H2,1-3H3",C12H22O2,,,,,,LMETVDMCIJNNKH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.488,231-336-8,7493-75-6,"Allyl hexa-2,4-dienoate","allyl hexa-2,4-dienoate",C=CCOC(=O)C=CC=CC,C=CCOC(=O)C=CC=CC,"InChI=1/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3",C9H12O2,,,,,,CVNZYQJBZIJLCL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.490,231-338-9,7493-77-8,Aluminium tributyrate,aluminum tributanoate,[Al+3].CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-],[Al+3].CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-],"InChI=1/3C4H8O2.Al/c3*1-2-3-4(5)6;/h3*2-3H2,1H3,(H,5,6);/q;;;+3/p-3",C4H8O2.1/3Al,,,,,,WPCPXPTZTOMGRF-UHFFFAOYSA-K,,,,,,,,,,,
100.021.058,223-163-1,3757-76-4,"Sodium 2,4-dichlorophenolate","sodium 2,4-dichlorophenolate",[Na+].[O-]c1ccc(Cl)cc1Cl,[Na+].[O-]c1ccc(Cl)cc1Cl,"InChI=1/C6H4Cl2O.Na/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1",C6H4Cl2O.Na,,,,,,BYOIUZNBVLCMNV-UHFFFAOYSA-M,,,,,,,,,,,
100.017.880,219-667-6,2494-79-3,4-chloro-3-(chlorosulphonyl)benzoic acid,4-chloro-3-(chlorosulfonyl)benzoic acid,OC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Cl,OC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Cl,"InChI=1/C7H4Cl2O4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)",C7H4Cl2O4S,,,,,,LYBQQYNSZYSUMT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.883,219-670-2,2494-93-1,"7-[(4-amino-o-tolyl)azo]naphthalene-1,3-disulphonic acid","7-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid",OS(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(N)cc1C)cc23)S(O)(=O)=O,OS(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(N)cc1C)cc23)S(O)(=O)=O,"InChI=1/C17H15N3O6S2/c1-10-6-12(18)3-5-16(10)20-19-13-4-2-11-7-14(27(21,22)23)9-17(15(11)8-13)28(24,25)26/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)",C17H15N3O6S2,,,,,,LKAKVHLFQWPGQR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.887,219-674-4,2495-37-6,Benzyl methacrylate,benzyl methacrylate,CC(=C)C(=O)OCc1ccccc1,CC(=C)C(=O)OCc1ccccc1,"InChI=1/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3",C11H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10958,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.887,AOJOEFVRHOZDFN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.888,219-676-5,2495-39-8,Sodium prop-2-enesulphonate,sodium prop-2-ene-1-sulfonate,[Na+].[O-]S(=O)(=O)CC=C,[Na+].[O-]S(=O)(=O)CC=C,"InChI=1/C3H6O3S.Na/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);/q;+1/p-1",C3H6O3S.Na,,,,,,DIKJULDDNQFCJG-UHFFFAOYSA-M,,,,,,,,,,,
100.017.892,219-680-7,2497-18-9,trans-hex-2-enyl acetate,hex-2-en-1-yl acetate,CCC\\C=C\\COC(=O)C,CCC\C=C\COC(=O)C,"InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3",C8H14O2,,,,,,HRHOWZHRCRZVCU-AATRIKPKSA-N,,,,,,,,,,,
100.017.898,219-687-5,5/03/2498,"1-[2-[ethyl(m-tolyl)amino]ethyl]pyrrolidine-2,5-dione","1-{2-[ethyl(3-methylphenyl)amino]ethyl}pyrrolidine-2,5-dione",CCN(CCN1C(=O)CCC1=O)c2cccc(C)c2,CCN(CCN1C(=O)CCC1=O)c2cccc(C)c2,"InChI=1/C15H20N2O2/c1-3-16(13-6-4-5-12(2)11-13)9-10-17-14(18)7-8-15(17)19/h4-6,11H,3,7-10H2,1-2H3",C15H20N2O2,,,,,,SNLLVPIXRHTWRC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.902,219-691-7,2498-47-7,Cyclohexylguanidine monohydrochloride,1-cyclohexylguanidine hydrochloride,Cl.NC(=N)NC1CCCCC1,Cl.NC(=N)NC1CCCCC1,"InChI=1/C7H15N3.ClH/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H4,8,9,10);1H",C7H15N3.ClH,,,,,,RYNCIRCAXCMTCY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.909,219-699-0,2500-59-6,"Methyl 9,10-epoxystearate",methyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OC,CCCCCCCCC1OC1CCCCCCCC(=O)OC,"InChI=1/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3",C19H36O3,,,,,,CAMHHLOGFDZBBG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.914,219-705-1,2503-55-1,N-benzylnicotinamide,N-benzylnicotinamide,O=C(NCc1ccccc1)c2cccnc2,O=C(NCc1ccccc1)c2cccnc2,"InChI=1/C13H12N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)",C13H12N2O,,,,,,JIAOUYONZMRJJD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.915,219-706-7,2503-56-2,"5-methyl-s-triazolo[1,5-a]pyrimidin-7-ol","5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol",Cc1cc(O)n2ncnc2n1,Cc1cc(O)n2ncnc2n1,"InChI=1/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3,11H,1H3",C6H6N4O,,,,,,ZUIVNYGZFPOXFW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.920,219-711-4,7/10/2506,"2,3,4,9-tetrahydro-1-methyl-1H-pyrido[3,4-b]indole","1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline",CC1NCCc2c1[nH]c3ccccc23,CC1NCCc2c1[nH]c3ccccc23,"InChI=1/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3",C12H14N2,,,,,,LPIJOZBIVDCQTE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.177,224-394-0,4341-27-9,"6,6'-(butane-1,4-diyl)bis(1,3,5-triazine-2,4-diamine)","6,6'-butane-1,4-diylbis(1,3,5-triazine-2,4-diamine)",Nc1nc(N)nc(CCCCc2nc(N)nc(N)n2)n1,Nc1nc(N)nc(CCCCc2nc(N)nc(N)n2)n1,"InChI=1/C10H16N10/c11-7-15-5(16-8(12)19-7)3-1-2-4-6-17-9(13)20-10(14)18-6/h1-4H2,(H4,11,12,15,16,19)(H4,13,14,17,18,20)",C10H16N10,,,,,,VVYBFJSLGGZKFD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.178,224-395-6,4341-76-8,Ethyl 2-butynoate,ethyl but-2-ynoate,CCOC(=O)C#CC,CCOC(=O)C#CC,"InChI=1/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3",C6H8O2,,,,,,FCJJZKCJURDYNF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.181,224-398-2,4342-33-0,Tributyl(trichloroacetoxy)stannane,"tributyl(2,2,2-trichloroacetoxy)stannane",CCCC[Sn](CCCC)(CCCC)OC(=O)C(Cl)(Cl)Cl,CCCC[Sn](CCCC)(CCCC)OC(=O)C(Cl)(Cl)Cl,"InChI=1/3C4H9.C2HCl3O2.Sn/c3*1-3-4-2;3-2(4,5)1(6)7;/h3*1,3-4H2,2H3;(H,6,7);/q;;;;+1/p-1/rC14H27Cl3O2Sn/c1-4-7-10-20(11-8-5-2,12-9-6-3)19-13(18)14(15,16)17/h4-12H2,1-3H3",C14H27Cl3O2Sn,,,,,,PNNIWFKUEAZSPW-UHFFFAOYSA-M,,,,,,,,,,,
100.022.183,224-400-1,4342-61-4,"1,2-dichloro-1,1,2,2-tetramethyldisilane","1,2-dichloro-1,1,2,2-tetramethyldisilane",C[Si](C)(Cl)[Si](C)(C)Cl,C[Si](C)(Cl)[Si](C)(C)Cl,"InChI=1/C4H12Cl2Si2/c1-7(2,5)8(3,4)6/h1-4H3",C4H12Cl2Si2,,,,,,SFAZXBAPWCPIER-UHFFFAOYSA-N,,,,,,,,,,,
100.013.984,215-382-6,1324-57-8,"Disodium dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-diyl disulphate","disodium 1,2-dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c3ccc4c5ccc6c(OS(=O)(=O)[O-])c7c(Cl)c(Cl)ccc7c8ccc(c9ccc1c3c49)c5c68,[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c3ccc4c5ccc6c(OS(=O)(=O)[O-])c7c(Cl)c(Cl)ccc7c8ccc(c9ccc1c3c49)c5c68,"InChI=1/C34H16Cl2O8S2.2Na/c35-26-14-13-22-21-8-7-18-19-9-11-24-29-16(15-3-1-2-4-23(15)33(24)43-45(37,38)39)5-6-17(27(19)29)20-10-12-25(30(21)28(18)20)34(31(22)32(26)36)44-46(40,41)42;;/h1-14H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C34H16Cl2O8S2.2Na,,,,,,BBLRYBKSEBCCKJ-UHFFFAOYSA-L,,,,,,,,,,,
100.013.985,215-383-1,1324-58-9,"Trisodium 8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-b:3',2'-m]triphenodioxazinetrisulphonate","trisodium 8,18-dichloro-5,15-diethyl-5,15-dihydrocarbazolo[3',2':5,6][1,4]oxazino[2,3-b]indolo[2,3-i]phenoxazine-1,2,3-trisulfonate",[Na+].[Na+].[Na+].CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9c(c(c(cc9n8CC)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Cl,[Na+].[Na+].[Na+].CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9c(c(c(cc9n8CC)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Cl,"InChI=1/C34H22Cl2N4O11S3.3Na/c1-3-39-19-8-6-5-7-14(19)15-9-17-23(11-20(15)39)50-31-28(36)30-32(27(35)29(31)37-17)51-24-12-21-16(10-18(24)38-30)26-22(40(21)4-2)13-25(52(41,42)43)33(53(44,45)46)34(26)54(47,48)49;;;/h5-13H,3-4H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C34H22Cl2N4O11S3.3Na,,,,,,LNZOSXVKNICVIT-UHFFFAOYSA-K,,,,,,,,,,,
100.013.990,215-388-9,1325-16-2,"Barium(2+) hydrogen 2-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]benzoate","barium hydrogen 2-[(2-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]benzoate",[H+].[Ba+2].[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,[H+].[Ba+2].[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H12N2O9S2.Ba.H2/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;1H/q;+2;+1/p-3",C17H12N2O9S2.2Ba,,,,,,RFDAZYMKYSTWBI-UHFFFAOYSA-L,,,,,,,,,,,
100.023.478,225-826-0,5103-74-2,"(1a,2ß,3aa,4ß,7ß,7aa)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene","1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",Cl[C@@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl,Cl[C@@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl,"InChI=1/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2",C10H6Cl8,,,,,,BIWJNBZANLAXMG-GPTKHRSPSA-N,,,,,,,,,,,
100.023.480,225-828-1,5106-48-9,"17-hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate","3,20-dioxopregna-4,9(11)-dien-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)C,"InChI=1/C23H30O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h8,13,18,20H,5-7,9-12H2,1-4H3",C23H30O4,,,,,,PMKJTWXWJLVKNH-PMAMDCHESA-N,,,,,,,,,,,
100.023.482,225-830-2,7/01/5107,2-(allyloxy)-4-chloro-N-[2-(diethylamino)ethyl]benzamide monohydrochloride,2-(allyloxy)-4-chloro-N-[2-(diethylamino)ethyl]benzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1ccc(Cl)cc1OCC=C,Cl.CCN(CC)CCNC(=O)c1ccc(Cl)cc1OCC=C,"InChI=1/C16H23ClN2O2.ClH/c1-4-11-21-15-12-13(17)7-8-14(15)16(20)18-9-10-19(5-2)6-3;/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,18,20);1H",C16H23ClN2O2.ClH,,,,,,QEWLHSNMEXFSCI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.485,225-833-9,5107-67-5,"2-oxocyclohexane-1,1,3,3-tetrapropionic acid","3,3',3'',3'''-(2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanoic acid",OC(=O)CCC1(CCC(=O)O)CCCC(CCC(=O)O)(CCC(=O)O)C1=O,OC(=O)CCC1(CCC(=O)O)CCCC(CCC(=O)O)(CCC(=O)O)C1=O,"InChI=1/C18H26O9/c19-12(20)2-8-17(9-3-13(21)22)6-1-7-18(16(17)27,10-4-14(23)24)11-5-15(25)26/h1-11H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)",C18H26O9,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17649,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.485,CIVMSMDSVPVXSU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.493,225-842-8,5112-95-8,Ethynylenebis[diphenylphosphine],"ethyne-1,2-diylbis(diphenylphosphine)",c1ccc(cc1)P(C#CP(c2ccccc2)c3ccccc3)c4ccccc4,c1ccc(cc1)P(C#CP(c2ccccc2)c3ccccc3)c4ccccc4,InChI=1/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,C26H20P2,,,,,,FOWZHJNBFVLJGP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.494,225-843-3,5113-87-1,(3R-trans)-3-methyl-6-(1-methylvinyl)cyclohexene,3-isopropenyl-6-methylcyclohexene,C[C@@H]1CC[C@H](C=C1)C(=C)C,C[C@@H]1CC[C@H](C=C1)C(=C)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3",C10H16,,,,,,TWCNAXRPQBLSNO-UWVGGRQHSA-N,,,,,,,,,,,
100.023.496,225-845-4,5114-93-2,"Sodium 4-diazo-3,4-dihydro-3-oxonaphthalene-1-sulphonate","sodium 4-diazo-3-oxo-3,4-dihydronaphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)C1=CC(=O)C(=[N+]=[N-])c2ccccc12,[Na+].[O-]S(=O)(=O)C1=CC(=O)C(=[N+]=[N-])c2ccccc12,"InChI=1/C10H6N2O4S.Na/c11-12-10-7-4-2-1-3-6(7)9(5-8(10)13)17(14,15)16;/h1-5H,(H,14,15,16);/q;+1/p-1",C10H6N2O4S.Na,,,,,,PJJCKIFHKMZQNW-UHFFFAOYSA-M,,,,,,,,,,,
100.023.499,225-849-6,5116-77-8,"2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexapropoxy-1,2,3,4,5,6-triazatriphosphorine","2,2,4,4,6,6-hexapropoxy-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine",CCCOp1(OCCC)np(OCCC)(OCCC)np(OCCC)(OCCC)n1,CCCOp1(OCCC)np(OCCC)(OCCC)np(OCCC)(OCCC)n1,"InChI=1/C18H42N3O6P3/c1-7-13-22-28(23-14-8-2)19-29(24-15-9-3,25-16-10-4)21-30(20-28,26-17-11-5)27-18-12-6/h7-18H2,1-6H3",C18H42N3O6P3,,,,,,KKPKGYUFKPQTFP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.935,219-728-7,2511-17-3,Pentamethylphosphonic diamide,"N,N,N',N',P-pentamethylphosphonic diamide",CN(C)P(=O)(C)N(C)C,CN(C)P(=O)(C)N(C)C,"InChI=1/C5H15N2OP/c1-6(2)9(5,8)7(3)4/h1-5H3",C5H15N2OP,,,,,,YRWJRJCUZYGLPN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.938,219-731-3,2512-58-5,Dicyclohexyldithiophosphinic acid,dicyclohexylphosphinodithioic acid,SP(=S)(C1CCCCC1)C2CCCCC2,SP(=S)(C1CCCCC1)C2CCCCC2,"InChI=1/C12H23PS2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,14,15)",C12H23PS2,,,,,,TYWAKIKWTGMYJY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.939,219-732-9,2514-53-6,Ethylene bis(trichloroacetate),"ethane-1,2-diyl bis(trichloroacetate)",ClC(Cl)(Cl)C(=O)OCCOC(=O)C(Cl)(Cl)Cl,ClC(Cl)(Cl)C(=O)OCCOC(=O)C(Cl)(Cl)Cl,"InChI=1/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2",C6H4Cl6O4,,,,,,SSDZRWBPFCFZGB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.941,219-735-5,2516-33-8,Cyclopropylmethanol,cyclopropylmethanol,OCC1CC1,OCC1CC1,"InChI=1/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2",C4H8O,,,,,,GUDMZGLFZNLYEY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.943,219-737-6,2516-47-4,Cyclopropanemethylamine,1-cyclopropylmethanamine,NCC1CC1,NCC1CC1,"InChI=1/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2",C4H9N,,,,,,IGSKHXTUVXSOMB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.950,219-744-4,2519-28-0,"Tetrasodium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulphate)","tetrasodium 7,16-dichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrayl tetrasulfate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c4Nc5c(Cl)cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6c5Nc4c(Cl)cc13,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c4Nc5c(Cl)cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6c5Nc4c(Cl)cc13,"InChI=1/C28H16Cl2N2O16S4.4Na/c29-17-9-15-19(27(47-51(39,40)41)13-7-3-1-5-11(13)25(15)45-49(33,34)35)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(46-50(36,37)38)12-6-2-4-8-14(12)28(20)48-52(42,43)44;;;;/h1-10,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4",C28H16Cl2N2O16S4.4Na,,,,,,BBUUHUCPYAPBCE-UHFFFAOYSA-J,,,,,,,,,,,
100.017.951,219-746-5,2519-30-4,"Tetrasodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo)-7-sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate","tetrasodium 4-acetamido-5-hydroxy-6-({7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1,7-disulfonate",[Na+].[Na+].[Na+].[Na+].CC(=O)Nc1ccc(c2cc(c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)[O-])c5ccc(cc35)S(=O)(=O)[O-])c(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].CC(=O)Nc1ccc(c2cc(c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)[O-])c5ccc(cc35)S(=O)(=O)[O-])c(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C28H21N5O14S4.4Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4",C28H21N5O14S4.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17303,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.951,GMMAPXRGRVJYJY-UHFFFAOYSA-J,,,,,,,,,,,
100.017.952,219-747-0,2519-89-3,"Methyl (R)-4,5-dihydro-2-methylthiazole-4-carboxylate","methyl 2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate",COC(=O)[C@@H]1CSC(=N1)C,COC(=O)[C@@H]1CSC(=N1)C,"InChI=1/C6H9NO2S/c1-4-7-5(3-10-4)6(8)9-2/h5H,3H2,1-2H3",C6H9NO2S,,,,,,GRNYICVXEZMNSA-YFKPBYRVSA-N,,,,,,,,,,,
100.017.956,219-751-2,2523-39-9,3-methyl-9H-fluorene,3-methyl-9H-fluorene,Cc1ccc2Cc3ccccc3c2c1,Cc1ccc2Cc3ccccc3c2c1,"InChI=1/C14H12/c1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10/h2-8H,9H2,1H3",C14H12,,,,,,GVSRMRNALQEEEI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.958,219-753-3,2523-94-6,O-methyl dichlorothiophosphate,O-methyl dichlorothiophosphate,COP(=S)(Cl)Cl,COP(=S)(Cl)Cl,"InChI=1/CH3Cl2OPS/c1-4-5(2,3)6/h1H3",CH3Cl2OPS,,,,,,BJTWJPDCJVKDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.960,219-755-4,1/04/2524,"O,O-diethyl phosphorochloridothioate","O,O-diethyl chlorothiophosphate",CCOP(=S)(Cl)OCC,CCOP(=S)(Cl)OCC,"InChI=1/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3",C4H10ClO2PS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11878,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.960,KMJJJTCKNZYTEY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.965,219-761-7,2524-76-7,1-(methylthio)-3-nitrobenzene,1-(methylsulfanyl)-3-nitrobenzene,CSc1cccc(c1)[N+](=O)[O-],CSc1cccc(c1)[N+](=O)[O-],"InChI=1/C7H7NO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3",C7H7NO2S,,,,,,GBGVXOUUXAIELM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.970,219-766-4,2527-57-3,"2,2'-dithiobisbenzamide","2,2'-disulfanediyldibenzamide",NC(=O)c1ccccc1SSc2ccccc2C(=O)N,NC(=O)c1ccccc1SSc2ccccc2C(=O)N,"InChI=1/C14H12N2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)",C14H12N2O2S2,,,,,,OEEHSSKRJOGQMP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.971,219-768-5,2527-58-4,"2,2'-dithiobis[N-methylbenzamide]","2,2'-disulfanediylbis(N-methylbenzamide)",CNC(=O)c1ccccc1SSc2ccccc2C(=O)NC,CNC(=O)c1ccccc1SSc2ccccc2C(=O)NC,"InChI=1/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)",C16H16N2O2S2,,,,,,JEVCLNJEBFWVPD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.228,224-449-9,4362-22-5,"2-(1-phenylethyl)-1,3-dioxolane","2-(1-phenylethyl)-1,3-dioxolane",CC(C1OCCO1)c2ccccc2,CC(C1OCCO1)c2ccccc2,"InChI=1/C11H14O2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3",C11H14O2,,,,,,SATZAQAJSHXNSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.491,231-339-4,7493-78-9,2-(phenylmethylene)heptyl acetate,2-benzylideneheptyl acetate,CC(=O)OCC(=Cc1ccccc1)CCCCC,CC(=O)OCC(=Cc1ccccc1)CCCCC,"InChI=1/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3",C16H22O2,,,,,,CMJSVJIGLBDCME-UHFFFAOYSA-N,,,,,,,,,,,
100.028.499,231-348-3,7495-85-4,Diallyl tetrahydrophthalate,"diallyl cyclohex-4-ene-1,2-dicarboxylate",C=CCOC(=O)C1CC=CCC1C(=O)OCC=C,C=CCOC(=O)C1CC=CCC1C(=O)OCC=C,"InChI=1/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-6,11-12H,1-2,7-10H2",C14H18O4,,,,,,JJSLFARHVQTZQN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.241,227-765-5,5972-76-9,Ammonium octanoate,ammonium octanoate,[NH4+].CCCCCCCC(=O)[O-],[NH4+].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.H3N/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);1H3",C8H16O2.H3N,,,,,,GEWYFWXMYWWLHW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.244,227-768-1,5/11/5973,(±)-1-bromo-2-methylbutane,1-bromo-2-methylbutane,CCC(C)CBr,CCC(C)CBr,"InChI=1/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3",C5H11Br,,,,,,XKVLZBNEPALHIO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.875,229-562-7,6610-24-8,Sodium (Z)-hexadec-9-enoate,sodium hexadec-9-enoate,[Na+].CCCCCC\\C=C/CCCCCCCC(=O)[O-],[Na+].CCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C16H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);/q;+1/p-1",C16H30O2.Na,,,,,,AQADNICIQOBXGR-CFYXSCKTSA-M,,,,,,,,,,,
100.026.877,229-564-8,2/03/6613,1-(2-propynyl)pyridinium bromide,1-prop-2-yn-1-ylpyridinium bromide,[Br-].C#CC[n+]1ccccc1,[Br-].C#CC[n+]1ccccc1,"InChI=1/C8H8N.BrH/c1-2-6-9-7-4-3-5-8-9;/h1,3-5,7-8H,6H2;1H/q+1;/p-1",C8H8N.Br,,,,,,ASBBJVLVCDALAW-UHFFFAOYSA-M,,,,,,,,,,,
100.026.879,229-566-9,2/01/6617,"Ethane-1,2-disulphonic acid, compound with 5-(3-chloropropyl)-4-methylthiazole (1:2)","ethane-1,2-disulfonic acid - 5-(3-chloropropyl)-4-methyl-1,3-thiazole (1:2)",Cc1ncsc1CCCCl.Cc2ncsc2CCCCl.OS(=O)(=O)CCS(=O)(=O)O,Cc1ncsc1CCCCl.Cc2ncsc2CCCCl.OS(=O)(=O)CCS(=O)(=O)O,"InChI=1/2C7H10ClNS.C2H6O6S2/c2*1-6-7(3-2-4-8)10-5-9-6;3-9(4,5)1-2-10(6,7)8/h2*5H,2-4H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)",C7H10ClNS.1/2C2H6O6S2,,,,,,KTHNVDQBLUBJSY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.889,229-577-9,6622-92-0,"2,6-dimethyl-1H-pyrimidin-4-one","2,6-dimethylpyrimidin-4(1H)-one",CC1=CC(=O)N=C(C)N1,CC1=CC(=O)N=C(C)N1,"InChI=1/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9)",C6H8N2O,,,,,,UQFHLJKWYIJISA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.890,229-578-4,6623-41-2,"2-amino-4,5-xylenol","2-amino-4,5-dimethylphenol",Cc1cc(N)c(O)cc1C,Cc1cc(N)c(O)cc1C,"InChI=1/C8H11NO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,9H2,1-2H3",C8H11NO,,,,,,JEASLLCHQHBBGM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.898,229-587-3,6626-23-9,1-chloromethyl-2-methylnaphthalene,1-(chloromethyl)-2-methylnaphthalene,Cc1ccc2ccccc2c1CCl,Cc1ccc2ccccc2c1CCl,"InChI=1/C12H11Cl/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h2-7H,8H2,1H3",C12H11Cl,,,,,,STBYRSZXHDPASK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.901,229-591-5,6627-34-5,"2,5-dichloro-4-nitroaniline","2,5-dichloro-4-nitroaniline",Nc1cc(Cl)c(cc1Cl)[N+](=O)[O-],Nc1cc(Cl)c(cc1Cl)[N+](=O)[O-],"InChI=1/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2",C6H4Cl2N2O2,,,,,,JBXZCPXEYAEMJS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.906,229-596-2,6627-59-4,Sodium 4-amino-6-chlorotoluene-3-sulphonate,sodium 2-amino-4-chloro-5-methylbenzenesulfonate,[Na+].Cc1cc(c(N)cc1Cl)S(=O)(=O)[O-],[Na+].Cc1cc(c(N)cc1Cl)S(=O)(=O)[O-],"InChI=1/C7H8ClNO3S.Na/c1-4-2-7(13(10,11)12)6(9)3-5(4)8;/h2-3H,9H2,1H3,(H,10,11,12);/q;+1/p-1",C7H8ClNO3S.Na,,,,,,KMIGBVSYNVXBEI-UHFFFAOYSA-M,,,,,,,,,,,
100.026.907,229-597-8,6627-65-2,2-amino-6-hydroxy-5-methyl-1H-pyrimidin-4-one,2-amino-6-hydroxy-5-methylpyrimidin-4(1H)-one,CC1=C(O)NC(=NC1=O)N,CC1=C(O)NC(=NC1=O)N,"InChI=1/C5H7N3O2/c1-2-3(9)7-5(6)8-4(2)10/h1H3,(H4,6,7,8,9,10)",C5H7N3O2,,,,,,OTFOORSARCXWKK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.908,229-598-3,6627-74-3,"2,6,6-trimethylcyclohex-2-ene-1-methanol","(2,6,6-trimethylcyclohex-2-en-1-yl)methanol",CC1=CCCC(C)(C)C1CO,CC1=CCCC(C)(C)C1CO,"InChI=1/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3",C10H18O,,,,,,WFBRXMMODZGJPF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.912,229-602-3,6627-91-4,2-(cyanomethyl)benzoic acid,2-(cyanomethyl)benzoic acid,OC(=O)c1ccccc1CC#N,OC(=O)c1ccccc1CC#N,"InChI=1/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12)",C9H7NO2,,,,,,AGXBHBJDSLZGAP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.930,229-622-2,6630-33-7,2-bromobenzaldehyde,2-bromobenzaldehyde,Brc1ccccc1C=O,Brc1ccccc1C=O,InChI=1/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H,C7H5BrO,,,,,,NDOPHXWIAZIXPR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.931,229-623-8,6630-35-9,N2-(2-bromopropionyl)-DL-asparagine,N~2~-(2-bromopropanoyl)-L-asparagine,O=C(N[C@@H](CC(N)=O)C(O)=O)C(Br)C,O=C(N[C@@H](CC(N)=O)C(O)=O)C(Br)C,"InChI=1/C7H11BrN2O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2H2,1H3,(H2,9,11)(H,10,12)(H,13,14)",C7H11BrN2O4,,,,,,UPOMSAYUXMKAOY-BKLSDQPFSA-N,,,,,,,,,,,
100.022.186,224-403-8,3/03/4345,a-tocopheryl hydrogen succinate,"4-oxo-4-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy}butanoic acid",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)CCC(=O)O)c(C)c(C)c2O1,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)CCC(=O)O)c(C)c(C)c2O1,"InChI=1/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)",C33H54O5,,,,,,IELOKBJPULMYRW-NJQVLOCASA-N,,,,,,,,,,,
100.022.187,224-404-3,4346-15-0,Indol-3-yl butyrate,1H-indol-3-yl butyrate,CCCC(=O)Oc1c[nH]c2ccccc12,CCCC(=O)Oc1c[nH]c2ccccc12,"InChI=1/C12H13NO2/c1-2-5-12(14)15-11-8-13-10-7-4-3-6-9(10)11/h3-4,6-8,13H,2,5H2,1H3",C12H13NO2,,,,,,DPUSLOQBAPOARC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.194,224-412-7,4350-41-8,2-(4'-chlorobenzyl)pyridine,2-(4-chlorobenzyl)pyridine,Clc1ccc(Cc2ccccn2)cc1,Clc1ccc(Cc2ccccn2)cc1,"InChI=1/C12H10ClN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9H2",C12H10ClN,,,,,,XSVWMIMFDMJQRL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.199,224-417-4,4351-70-6,1-[bis(2-chloroethoxyphosphinyl]ethyl 2-chloroethyl [1-[[(2-chloroethoxy)(2-chloroethyl)phosphinyl]oxy]ethyl]phosphonate,1-[bis(2-chloroethoxy)phosphoryl]ethyl 2-chloroethyl (1-{[(2-chloroethoxy)(2-chloroethyl)phosphoryl]oxy}ethyl)phosphonate (non-preferred name),CC(OP(=O)(CCCl)OCCCl)P(=O)(OCCCl)OC(C)P(=O)(OCCCl)OCCCl,CC(OP(=O)(CCCl)OCCCl)P(=O)(OCCCl)OC(C)P(=O)(OCCCl)OCCCl,"InChI=1/C14H28Cl5O9P3/c1-13(27-29(20,12-7-19)23-8-3-15)31(22,26-11-6-18)28-14(2)30(21,24-9-4-16)25-10-5-17/h13-14H,3-12H2,1-2H3",C14H28Cl5O9P3,,,,,,QDLQFWNOQPOPHV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.201,224-420-0,4352-99-2,"4-methyl-2-propyl-1,3-dioxolane","4-methyl-2-propyl-1,3-dioxolane",CCCC1OCC(C)O1,CCCC1OCC(C)O1,"InChI=1/C7H14O2/c1-3-4-7-8-5-6(2)9-7/h6-7H,3-5H2,1-2H3",C7H14O2,,,,,,WRTYJFJOOTWPJP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.225,224-446-2,4361-28-8,Cyclohexanepropionaldehyde,3-cyclohexylpropanal,O=CCCC1CCCCC1,O=CCCC1CCCCC1,"InChI=1/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h8-9H,1-7H2",C9H16O,,,,,,RKFNAZGRJVNWEW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.013,216-514-5,1604-43-9,"1,7-dinitroanthraquinone","1,7-dinitro-9,10-anthraquinone",[O-][N+](=O)c1ccc2C(=O)c3cccc(c3C(=O)c2c1)[N+](=O)[O-],[O-][N+](=O)c1ccc2C(=O)c3cccc(c3C(=O)c2c1)[N+](=O)[O-],InChI=1/C14H6N2O6/c17-13-8-5-4-7(15(19)20)6-10(8)14(18)12-9(13)2-1-3-11(12)16(21)22/h1-6H,C14H6N2O6,,,,,,FAVDZWIRBSMLOV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.014,216-515-0,1605-18-1,"1,4-bis(1-methylvinyl)benzene","1,4-diisopropenylbenzene",CC(=C)c1ccc(cc1)C(=C)C,CC(=C)c1ccc(cc1)C(=C)C,"InChI=1/C12H14/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1,3H2,2,4H3",C12H14,,,,,,ZENYUPUKNXGVDY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.016,216-517-1,1605-65-8,Bis(dimethylamino)phosphinic chloride,"N,N,N',N'-tetramethylphosphorodiamidic chloride",CN(C)P(=O)(Cl)N(C)C,CN(C)P(=O)(Cl)N(C)C,"InChI=1/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3",C4H12ClN2OP,,,,,,WYLQARGYFXBZMD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.018,216-519-2,1605-89-6,Bolasterone,"17-hydroxy-7,17-dimethylandrost-4-en-3-one",C[C@]43CCC(=O)\\C=C4\\C[C@@H](C)[C@@H]1[C@@H]3CC[C@]2(C)[C@@](C)(O)CC[C@@H]12,C[C@]43CCC(=O)\C=C4\C[C@@H](C)[C@@H]1[C@@H]3CC[C@]2(C)[C@@](C)(O)CC[C@@H]12,"InChI=1/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3",C21H32O2,,,,,,IVFYLRMMHVYGJH-VLOLGRDOSA-N,,,,,,,,,,,
100.015.022,216-523-4,1606-83-3,"1,1'-[but-2-yne-1,4-diylbis(oxy)]bis[3-chloropropan-2-ol]",1-chloro-3-{[4-(3-chloro-2-hydroxypropoxy)but-2-yn-1-yl]oxy}propan-2-ol (non-preferred name),OC(CCl)COCC#CCOCC(O)CCl,OC(CCl)COCC#CCOCC(O)CCl,"InChI=1/C10H16Cl2O4/c11-5-9(13)7-15-3-1-2-4-16-8-10(14)6-12/h9-10,13-14H,3-8H2",C10H16Cl2O4,,,,,,FPNVDCLFXCGXLH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.023,216-525-5,1606-84-4,"5-oxa-2-heptyne-1,7-diol",4-(2-hydroxyethoxy)but-2-yn-1-ol,OCCOCC#CCO,OCCOCC#CCO,"InChI=1/C6H10O3/c7-3-1-2-5-9-6-4-8/h7-8H,3-6H2",C6H10O3,,,,,,IYPXDXFMIFEISF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.025,216-527-6,1606-87-7,"1,1'-[but-2-yne-1,4-diylbis(oxy)]bispropan-2-ol","1,1'-[but-2-yne-1,4-diylbis(oxy)]dipropan-2-ol",CC(O)COCC#CCOCC(C)O,CC(O)COCC#CCOCC(C)O,"InChI=1/C10H18O4/c1-9(11)7-13-5-3-4-6-14-8-10(2)12/h9-12H,5-8H2,1-2H3",C10H18O4,,,,,,JBTLOLAWFPERSC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.028,216-530-2,1607-23-4,"1,2-epoxy-3-(propenyloxy)propane",2-[(prop-1-en-1-yloxy)methyl]oxirane,CC=COCC1CO1,CC=COCC1CO1,"InChI=1/C6H10O2/c1-2-3-7-4-6-5-8-6/h2-3,6H,4-5H2,1H3",C6H10O2,,,,,,QXONIHMUSQFKJU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.029,216-531-8,1607-57-4,Bromotriphenylethylene,"1,1',1''-(2-bromoethene-1,1,2-triyl)tribenzene",BrC(=C(c1ccccc1)c2ccccc2)c3ccccc3,BrC(=C(c1ccccc1)c2ccccc2)c3ccccc3,InChI=1/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,C20H15Br,,,,,,VUQVJIUBUPPCDB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.030,216-532-3,1607-68-7,N-phenyl-N-4-piperidinylacetamide,N-phenyl-N-piperidin-4-ylacetamide,CC(=O)N(C1CCNCC1)c2ccccc2,CC(=O)N(C1CCNCC1)c2ccccc2,"InChI=1/C13H18N2O/c1-11(16)15(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,13-14H,7-10H2,1H3",C13H18N2O,,,,,,CYTIQZKDSHKYGB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.034,216-537-0,1608-72-6,1-ethoxyethyl acetate,1-ethoxyethyl acetate,CCOC(C)OC(=O)C,CCOC(C)OC(=O)C,"InChI=1/C6H12O3/c1-4-8-6(3)9-5(2)7/h6H,4H2,1-3H3",C6H12O3,,,,,,FAIARWOGQAQTPS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.500,225-850-1,5116-94-9,Tridecan-1-yl dihydrogen phosphate,tridecyl dihydrogen phosphate,CCCCCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCCCCOP(=O)(O)O,"InChI=1/C13H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H2,14,15,16)",C13H29O4P,,,,,,GAJQCIFYLSXSEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.502,225-852-2,7/07/5117,"5,5'-dithiobis[1-phenyl-1H-tetrazole]","5,5'-disulfanediylbis(1-phenyl-1H-tetrazole)",S(Sc1nnnn1c2ccccc2)c3nnnn3c4ccccc4,S(Sc1nnnn1c2ccccc2)c3nnnn3c4ccccc4,InChI=1/C14H10N8S2/c1-3-7-11(8-4-1)21-13(15-17-19-21)23-24-14-16-18-20-22(14)12-9-5-2-6-10-12/h1-10H,C14H10N8S2,,,,,,CJXASCLMZSMFTL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.509,225-860-6,5122-82-7,"Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone",1-adamantan-1-yl-2-bromoethanone,BrCC(=O)C12CC3CC(CC(C3)C1)C2,BrCC(=O)C12CC3CC(CC(C3)C1)C2,"InChI=1/C12H17BrO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2",C12H17BrO,,,,,,KWCDIRFSULAMOC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.512,225-863-2,5124-30-1,"4,4'-methylenedicyclohexyl diisocyanate","1,1'-methylenebis(4-isocyanatocyclohexane)",O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1,O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1,"InChI=1/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2",C15H22N2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13842,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.512,KORSJDCBLAPZEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.514,225-865-3,5128-21-2,Titanium(4+) 2-propenolate,titanium(4+) tetraprop-1-en-2-olate,[Ti+4].CC(=C)[O-].CC(=C)[O-].CC(=C)[O-].CC(=C)[O-],[Ti+4].CC(=C)[O-].CC(=C)[O-].CC(=C)[O-].CC(=C)[O-],"InChI=1/4C3H6O.Ti/c4*1-3(2)4;/h4*4H,1H2,2H3;/q;;;;+4/p-4",C3H6O.1/4Ti,,,,,,SWXTYQUDTCTSFH-UHFFFAOYSA-J,,,,,,,,,,,
100.023.520,225-872-1,5129-48-6,Butyl 2-ethylbutyrate,butyl 2-ethylbutanoate,CCCCOC(=O)C(CC)CC,CCCCOC(=O)C(CC)CC,"InChI=1/C10H20O2/c1-4-7-8-12-10(11)9(5-2)6-3/h9H,4-8H2,1-3H3",C10H20O2,,,,,,YARHPYLJZOUSGU-UHFFFAOYSA-N,,,,,,,,,,,
100.013.196,214-516-0,1138-80-3,N-benzyloxycarbonylglycine,N-[(benzyloxy)carbonyl]glycine,OC(=O)CNC(=O)OCc1ccccc1,OC(=O)CNC(=O)OCc1ccccc1,"InChI=1/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)",C10H11NO4,,,,,,CJUMAFVKTCBCJK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.199,214-519-7,1139-30-6,"[1R-(1R*,4R*,6R*,10S*)]-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane","4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0~4,6~]dodecane",CC1(C)CC2C1CCC3(C)OC3CCC2=C,CC1(C)CC2C1CCC3(C)OC3CCC2=C,"InChI=1/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3",C15H24O,,,,,,NVEQFIOZRFFVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.200,214-520-2,1139-46-4,"4-(1,1,3,3-tetramethylbutyl)pyrocatechol","4-(1,1,3,3-tetramethylbutyl)benzene-1,2-diol",CC(C)(C)CC(C)(C)c1ccc(O)c(O)c1,CC(C)(C)CC(C)(C)c1ccc(O)c(O)c1,"InChI=1/C14H22O2/c1-13(2,3)9-14(4,5)10-6-7-11(15)12(16)8-10/h6-8,15-16H,9H2,1-5H3",C14H22O2,,,,,,BOTKTAZUSYVSFF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.202,214-522-3,1139-60-2,"2,6-dimethylbenzophenone","(2,6-dimethylphenyl)(phenyl)methanone",Cc1cccc(C)c1C(=O)c2ccccc2,Cc1cccc(C)c1C(=O)c2ccccc2,"InChI=1/C15H14O/c1-11-7-6-8-12(2)14(11)15(16)13-9-4-3-5-10-13/h3-10H,1-2H3",C15H14O,,,,,,HBPDHOUFKMTSHG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.204,214-524-4,1141-05-5,"1,2-di(2-pyridyl)ethanediol","1,2-dipyridin-2-ylethane-1,2-diol",OC(C(O)c1ccccn1)c2ccccn2,OC(C(O)c1ccccn1)c2ccccn2,"InChI=1/C12H12N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11-12,15-16H",C12H12N2O2,,,,,,HVIBJFDEUPZPPC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.208,214-529-1,1141-88-4,"2,2'-dithiodianiline","2,2'-disulfanediyldianiline",Nc1ccccc1SSc2ccccc2N,Nc1ccccc1SSc2ccccc2N,"InChI=1/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2",C12H12N2S2,,,,,,YYYOQURZQWIILK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.210,214-531-2,1142-19-4,Bis(4-chlorophenyl) disulphide,"1,1'-disulfanediylbis(4-chlorobenzene)",Clc1ccc(SSc2ccc(Cl)cc2)cc1,Clc1ccc(SSc2ccc(Cl)cc2)cc1,InChI=1/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,C12H8Cl2S2,,,,,,ZIXXRXGPBFMPFD-UHFFFAOYSA-N,,,,,,,,,,,
100.013.215,214-537-5,1142-70-7,"5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione","5-(2-bromoprop-2-en-1-yl)-5-sec-butylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC(C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O,CCC(C)C1(CC(=C)Br)C(=O)NC(=O)NC1=O,"InChI=1/C11H15BrN2O3/c1-4-6(2)11(5-7(3)12)8(15)13-10(17)14-9(11)16/h6H,3-5H2,1-2H3,(H2,13,14,15,16,17)",C11H15BrN2O3,,,,,,FWZMBTIUIQUJFF-UHFFFAOYSA-N,,,,,,,,,,,
100.013.221,214-543-8,1145-01-3,"3,5-diphenyl-1H-pyrazole","3,5-diphenyl-1H-pyrazole",c1ccc(cc1)c2cc([nH]n2)c3ccccc3,c1ccc(cc1)c2cc([nH]n2)c3ccccc3,"InChI=1/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)",C15H12N2,,,,,,JXHKUYQCEJILEI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.222,214-544-3,1145-56-8,N-chloroacetyl-L-tyrosine,N-(chloroacetyl)tyrosine,OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCl,OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCl,"InChI=1/C11H12ClNO4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)",C11H12ClNO4,,,,,,GDOGSOZOUAVIFX-VIFPVBQESA-N,,,,,,,,,,,
100.013.225,214-548-5,1145-93-3,Diethyl 4-methoxybenzylphosphonate,diethyl (4-methoxybenzyl)phosphonate,CCOP(=O)(Cc1ccc(OC)cc1)OCC,CCOP(=O)(Cc1ccc(OC)cc1)OCC,"InChI=1/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3",C12H19O4P,,,,,,NKARVHNAACNYGE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.230,224-452-5,4362-40-7,"4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane","4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane",CC1(C)OCC(CCl)O1,CC1(C)OCC(CCl)O1,"InChI=1/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3",C6H11ClO2,,,,,,BNPOTXLWPZOESZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.231,224-453-0,4363-93-3,Quinoline-4-carbaldehyde,quinoline-4-carbaldehyde,O=Cc1ccnc2ccccc12,O=Cc1ccnc2ccccc12,InChI=1/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H,C10H7NO,,,,,,MGCGJBXTNWUHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.233,224-455-1,4366-18-1,Coumetarol,"3,3'-(2-methoxyethane-1,1-diyl)bis(4-hydroxy-2H-chromen-2-one)",COCC(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O,COCC(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O,"InChI=1/C21H16O7/c1-26-10-13(16-18(22)11-6-2-4-8-14(11)27-20(16)24)17-19(23)12-7-3-5-9-15(12)28-21(17)25/h2-9,13,22-23H,10H2,1H3",C21H16O7,,,,,,BUCJFFQZPGTGPX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.239,224-461-4,4368-83-6,5-acetamido-2-nitrobenzoic acid,5-acetamido-2-nitrobenzoic acid,CC(=O)Nc1ccc(c(c1)C(=O)O)[N+](=O)[O-],CC(=O)Nc1ccc(c(c1)C(=O)O)[N+](=O)[O-],"InChI=1/C9H8N2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14)",C9H8N2O5,,,,,,ZSHFMOUMOUOGKI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.241,224-464-0,4370-90-5,5-[2-(methylthio)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one,5-[2-(methylsulfanyl)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one,CSCCC1NC(=S)N(C1=O)c2ccccc2,CSCCC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C12H14N2OS2/c1-17-8-7-10-11(15)14(12(16)13-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)",C12H14N2OS2,,,,,,KALSXWPXUWRLOH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.242,224-465-6,4371-31-7,"Biphenyl-2,2',4,4'-tetraol","biphenyl-2,2',4,4'-tetrol",Oc1ccc(c(O)c1)c2ccc(O)cc2O,Oc1ccc(c(O)c1)c2ccc(O)cc2O,"InChI=1/C12H10O4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6,13-16H",C12H10O4,,,,,,CFGDTWRKBRQUFB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.243,224-466-1,4371-64-6,Hexadecylmalonic acid,hexadecylmalonic acid,CCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O,CCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O,"InChI=1/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21)19(22)23/h17H,2-16H2,1H3,(H,20,21)(H,22,23)",C19H36O4,,,,,,MVDKKZZVTWHVMC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.248,224-471-9,4373-34-6,"Methyl (19a)-16,17-didehydro-19-methyloxayohimban-16-carboxylate hydrochloride","methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate hydrochloride",Cl.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,Cl.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H24N2O3.ClH/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;1H",C21H24N2O3.ClH,,,,,,YWPZOTNKHMBWPD-QAWKRFFXSA-N,,,,,,,,,,,
100.016.503,218-152-3,2055-46-1,"3,4,5,6-tetrahydropyrimidine-2-thiol","1,4,5,6-tetrahydropyrimidine-2-thiol",SC1=NCCCN1,SC1=NCCCN1,"InChI=1/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)",C4H8N2S,,,,,,NVHNGVXBCWYLFA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.504,218-153-9,2056-98-6,"Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-",4-amino-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]pyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2,NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2,"InChI=1/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)",C9H16N3O13P3,,,,,,RGWHQCVHVJXOKC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.505,218-154-4,2057-34-3,4-[1-(but-2-enyl)pent-3-enyl]pyridine,4-(1-but-2-en-1-ylpent-3-en-1-yl)pyridine,CC=CCC(CC=CC)c1ccncc1,CC=CCC(CC=CC)c1ccncc1,"InChI=1/C14H19N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h3-6,9-13H,7-8H2,1-2H3",C14H19N,,,,,,ABNCIWHCOXTEEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.509,218-159-1,2057-49-0,4-(3-phenylpropyl)pyridine,4-(3-phenylpropyl)pyridine,C(Cc1ccccc1)Cc2ccncc2,C(Cc1ccccc1)Cc2ccncc2,"InChI=1/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2",C14H15N,,,,,,AQIIVEISJBBUCR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.517,218-168-0,2062-25-1,o-(trifluoromethyl)cinnamic acid,3-[2-(trifluoromethyl)phenyl]acrylic acid,OC(=O)\\C=C\\c1ccccc1C(F)(F)F,OC(=O)\C=C\c1ccccc1C(F)(F)F,"InChI=1/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)",C10H7F3O2,,,,,,AMVYAIXPAGBXOM-AATRIKPKSA-N,,,,,,,,,,,
100.016.519,218-170-1,2062-77-3,Trifluperidol hydrochloride,1-(4-fluorophenyl)-4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}butan-1-one hydrochloride,Cl.OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3cccc(c3)C(F)(F)F,Cl.OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3cccc(c3)C(F)(F)F,"InChI=1/C22H23F4NO2.ClH/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26;/h1,3-4,6-9,15,29H,2,5,10-14H2;1H",C22H23F4NO2.ClH,,,,,,VYGQXRZAHIZHQV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.522,218-173-8,2062-98-8,"2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionyl fluoride","2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride",FC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,FC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16",C6F12O2,,,,,,BCLQALQSEBVVAD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.938,229-631-1,6634-82-8,Disodium 5-amino-2-[2-(4-nitro-2-sulphonatophenyl)vinyl]benzenesulphonate,disodium 5-amino-2-[2-(4-nitro-2-sulfonatophenyl)vinyl]benzenesulfonate,[Na+].[Na+].Nc1ccc(\\C=C\\c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(\C=C\c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C14H12N2O8S2.2Na/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24;;/h1-8H,15H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C14H12N2O8S2.2Na,,,,,,RXYPPHDUSQFWID-SEPHDYHBSA-L,,,,,,,,,,,
100.026.940,229-633-2,6635-20-7,5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,COc1cc(C=O)cc(c1O)[N+](=O)[O-],COc1cc(C=O)cc(c1O)[N+](=O)[O-],"InChI=1/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3",C8H7NO5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10954,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.940,ZEHYRTJBFMZHCY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.941,229-634-8,6635-41-2,2-nitrobenzaldehyde oxime,2-nitrobenzaldehyde oxime,O\\N=C\\c1ccccc1[N+](=O)[O-],O\N=C\c1ccccc1[N+](=O)[O-],"InChI=1/C7H6N2O3/c10-8-5-6-3-1-2-4-7(6)9(11)12/h1-5,10H",C7H6N2O3,,,,,,IHMGDCCTWRRUDX-VMPITWQZSA-N,,,,,,,,,,,
100.026.942,229-635-3,6636-78-8,2-chloropyridin-3-ol,2-chloropyridin-3-ol,Oc1cccnc1Cl,Oc1cccnc1Cl,"InChI=1/C5H4ClNO/c6-5-4(8)2-1-3-7-5/h1-3,8H",C5H4ClNO,,,,,,RSOPTYAZDFSMTN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.943,229-636-9,6637-22-5,"6-methoxy-2,3-dimethylquinoxaline","6-methoxy-2,3-dimethylquinoxaline",COc1ccc2nc(C)c(C)nc2c1,COc1ccc2nc(C)c(C)nc2c1,"InChI=1/C11H12N2O/c1-7-8(2)13-11-6-9(14-3)4-5-10(11)12-7/h4-6H,1-3H3",C11H12N2O,,,,,,QWGMPWRVGQLNHK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.945,229-639-5,6637-88-3,"Disodium 5-[[4'-[(2,6-diamino-3-methyl-5-sulphonatophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-({4'-[(2,6-diamino-3-methyl-5-sulfonatophenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c4ccc(N=Nc3c(N)c(C)cc(c3N)S([O-])(=O)=O)c(C)c4,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c4ccc(N=Nc3c(N)c(C)cc(c3N)S([O-])(=O)=O)c(C)c4,"InChI=1/C28H26N6O6S.2Na/c1-14-10-17(4-7-21(14)32-31-19-6-9-23(35)20(13-19)28(36)37)18-5-8-22(15(2)11-18)33-34-27-25(29)16(3)12-24(26(27)30)41(38,39)40;;/h4-13,35H,29-30H2,1-3H3,(H,36,37)(H,38,39,40);;/q;2*+1/p-2",C28H26N6O6S.2Na,,,,,,VHGDEGWDHMWQLR-UHFFFAOYSA-L,,,,,,,,,,,
100.026.947,229-641-6,7/05/6638,"2,6-dimethoxy-p-cresol","2,6-dimethoxy-4-methylphenol",COc1cc(C)cc(OC)c1O,COc1cc(C)cc(OC)c1O,"InChI=1/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3",C9H12O3,,,,,,ZFBNNSOJNZBLLS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.950,229-644-2,6639-30-1,"2,4,5-trichlorotoluene","1,2,4-trichloro-5-methylbenzene",Cc1cc(Cl)c(Cl)cc1Cl,Cc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C7H5Cl3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3",C7H5Cl3,,,,,,ZCXHZKNWIYVQNC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.951,229-645-8,6639-55-0,"N-(2,5-dichlorophenyl)formamide","N-(2,5-dichlorophenyl)formamide",Clc1ccc(Cl)c(NC=O)c1,Clc1ccc(Cl)c(NC=O)c1,"InChI=1/C7H5Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-4H,(H,10,11)",C7H5Cl2NO,,,,,,JTBVPDCDRKNIFU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.953,229-647-9,6639-79-8,"6-chloro-1,4-dihydroquinoxaline-2,3-dione","6-chloro-1,4-dihydroquinoxaline-2,3-dione",Clc1ccc2NC(=O)C(=O)Nc2c1,Clc1ccc2NC(=O)C(=O)Nc2c1,"InChI=1/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)",C8H5ClN2O2,,,,,,RNOLFZACEWWIHP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.955,229-650-5,6639-99-2,"Estra-1,3,5,7,9-pentaene-3,17a-diol","estra-1,3,5,7,9-pentaene-3,17-diol",C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,"InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3",C18H20O2,,,,,,RYWZPRVUQHMJFF-KSZLIROESA-N,,,,,,,,,,,
100.026.956,229-651-0,5/03/6640,Ditetradecyl hydrogen phosphate,ditetradecyl hydrogen phosphate,CCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCC,"InChI=1/C28H59O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,29,30)",C28H59O4P,,,,,,CYFHLEMYBPQRGN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.958,229-653-1,6640-22-8,"Disodium 4,4'-methylenebis[3-hydroxy-2-naphthoate]","disodium 4,4'-methylenebis(3-hydroxy-2-naphthoate)",[Na+].[Na+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-],[Na+].[Na+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-],"InChI=1/C23H16O6.2Na/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2",C23H16O6.2Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7437,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.958,YGLLICRFEVEWOZ-UHFFFAOYSA-L,,,,,,,,,,,
100.023.060,225-366-0,4806-87-5,"3,4-dichloro-a-methylphenethylamine","1-(3,4-dichlorophenyl)propan-2-amine",CC(N)Cc1ccc(Cl)c(Cl)c1,CC(N)Cc1ccc(Cl)c(Cl)c1,"InChI=1/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3",C9H11Cl2N,,,,,,PUFDZMUCDFIRQY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.067,225-373-9,4810-50-8,Potassium 5-oxo-L-prolinate,potassium 5-oxopyrrolidine-2-carboxylate,[K+].[O-]C(=O)[C@@H]1CCC(=O)N1,[K+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.K/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.K,,,,,,WKHCFXKQKDNLEB-DFWYDOINSA-M,,,,,,,,,,,
100.015.036,216-539-1,1609-07-0,N-cyano-N'-methylguanidine,1-cyano-3-methylguanidine,CNC(=N)NC#N,CNC(=N)NC#N,"InChI=1/C3H6N4/c1-6-3(5)7-2-4/h1H3,(H3,5,6,7)",C3H6N4,,,,,,SIQWQBQGWREFSE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.041,216-544-9,1609-86-5,tert-butyl isocyanate,2-isocyanato-2-methylpropane,CC(C)(C)N=C=O,CC(C)(C)N=C=O,"InChI=1/C5H9NO/c1-5(2,3)6-4-7/h1-3H3",C5H9NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12810,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.041,MGOLNIXAPIAKFM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.042,216-545-4,1609-93-4,cis-3-chloroacrylic acid,3-chloroacrylic acid,Cl[C@H]=CC(O)=O,Cl[C@H]=CC(O)=O,"InChI=1/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)",C3H3ClO2,,,,,,MHMUCYJKZUZMNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.049,216-553-8,1611-35-4,Xylenol orange,"2,2',2'',2'''-{(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetic acid",Cc1cc(cc(CN(CC(=O)O)CC(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c4,Cc1cc(cc(CN(CC(=O)O)CC(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c4,"InChI=1/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)",C31H32N2O13S,,,,,,ORZHVTYKPFFVMG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.050,216-554-3,1611-56-9,11-bromoundecanol,11-bromoundecan-1-ol,OCCCCCCCCCCCBr,OCCCCCCCCCCCBr,"InChI=1/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2",C11H23BrO,,,,,,XFGANBYCJWQYBI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.055,216-560-6,1613-37-2,Quinoline 1-oxide,quinoline 1-oxide,[O-][n+]1cccc2ccccc12,[O-][n+]1cccc2ccccc12,InChI=1/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C9H7NO,,,,,,GIIWGCBLYNDKBO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.056,216-561-1,1613-51-0,Thiane,tetrahydro-2H-thiopyran,C1CCSCC1,C1CCSCC1,InChI=1/C5H10S/c1-2-4-6-5-3-1/h1-5H2,C5H10S,,,,,,YPWFISCTZQNZAU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.057,216-562-7,1613-66-7,Dichlorodiphenylgermane,dichloro(diphenyl)germane,Cl[Ge](Cl)(c1ccccc1)c2ccccc2,Cl[Ge](Cl)(c1ccccc1)c2ccccc2,"InChI=1/C12H10Cl2Ge/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C12H10Cl2Ge,,,,,,PFPTYRFVUHDUIN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.065,223-171-5,3760-11-0,Non-2-enoic acid,non-2-enoic acid,OC(=O)C=CCCCCCC,OC(=O)C=CCCCCCC,"InChI=1/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)",C9H16O2,,,,,,ADLXTJMPCFOTOO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.079,223-186-7,3766-55-0,4-allylthiosemicarbazide,N-allylhydrazinecarbothioamide,NNC(=S)NCC=C,NNC(=S)NCC=C,"InChI=1/C4H9N3S/c1-2-3-6-4(8)7-5/h2H,1,3,5H2,(H2,6,7,8)",C4H9N3S,,,,,,CZLPCLANGIXFIE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.082,223-189-3,3767-28-0,4-nitrophenyl a-D-glucopyranoside,4-nitrophenyl alpha-D-glucopyranoside,OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,IFBHRQDFSNCLOZ-ZIQFBCGOSA-N,,,,,,,,,,,
100.021.089,223-197-7,3768-55-6,Trimethyl-N-phenylsilylamine,"1,1,1-trimethyl-N-phenylsilanamine",C[Si](C)(C)Nc1ccccc1,C[Si](C)(C)Nc1ccccc1,"InChI=1/C9H15NSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8,10H,1-3H3",C9H15NSi,,,,,,IPJPAQIHUIKFLV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.093,223-201-7,3768-60-3,Sulphinylbis(dimethylamide),"N,N,N',N'-tetramethylsulfurous diamide",CN(C)S(=O)N(C)C,CN(C)S(=O)N(C)C,InChI=1/C4H12N2OS/c1-5(2)8(7)6(3)4/h1-4H3,C4H12N2OS,,,,,,HYIDEDUTFDYUHM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.094,223-202-2,3769-23-1,4-methylhex-1-ene,4-methylhex-1-ene,CCC(C)CC=C,CCC(C)CC=C,"InChI=1/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3",C7H14,,,,,,SUWJESCICIOQHO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.095,223-203-8,3769-57-1,"2,2'-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethanol","2,2'-({4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}imino)diethanol",Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCO)CCO)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C17H19ClN4O4/c1-12-10-13(21(6-8-23)7-9-24)2-4-16(12)19-20-17-5-3-14(22(25)26)11-15(17)18/h2-5,10-11,23-24H,6-9H2,1H3",C17H19ClN4O4,,,,,,NBEXAEYARUBYDV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.097,223-205-9,3769-62-8,"5-amino-3-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-amino-3-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid",Oc3c(N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)cc(cc3Cl)[N+]([O-])=O,Oc3c(N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)cc(cc3Cl)[N+]([O-])=O,"InChI=1/C16H11ClN4O10S2/c17-9-3-7(21(24)25)4-11(15(9)22)19-20-14-12(33(29,30)31)2-6-1-8(32(26,27)28)5-10(18)13(6)16(14)23/h1-5,22-23H,18H2,(H,26,27,28)(H,29,30,31)",C16H11ClN4O10S2,,,,,,YWVCYGLMOFNBMY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.226,214-549-0,1146-21-0,5-furfuryl-5-isopropylbarbituric acid,"5-(2-furylmethyl)-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)C1(Cc2occc2)C(=O)NC(=O)NC1=O,CC(C)C1(Cc2occc2)C(=O)NC(=O)NC1=O,"InChI=1/C12H14N2O4/c1-7(2)12(6-8-4-3-5-18-8)9(15)13-11(17)14-10(12)16/h3-5,7H,6H2,1-2H3,(H2,13,14,15,16,17)",C12H14N2O4,,,,,,GPMGSASPWYMZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.013.229,214-552-7,1146-65-2,(2H8)naphthalene,naphthalene,c1ccc2ccccc2c1,c1ccc2ccccc2c1,InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,C10D8,,,,,,UFWIBTONFRDIAS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.232,214-555-3,1147-56-4,1-(thiazol-2-ylazo)-2-naphthol,"1-(1,3-thiazol-2-yldiazenyl)-2-naphthol",Oc2ccc3ccccc3c2N=Nc1nccs1,Oc2ccc3ccccc3c2N=Nc1nccs1,"InChI=1/C13H9N3OS/c17-11-6-5-9-3-1-2-4-10(9)12(11)15-16-13-14-7-8-18-13/h1-8,17H",C13H9N3OS,,,,,,IOMXCGDXEUDZAK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.236,214-560-0,1149-16-2,"2,2'-ethanediylidenedinitrilodiphenol","2,2'-(ethane-1,2-diylidenedinitrilo)diphenol",Oc2ccccc2N=CC=Nc1ccccc1O,Oc2ccccc2N=CC=Nc1ccccc1O,"InChI=1/C14H12N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h1-10,17-18H",C14H12N2O2,,,,,,FZKAPSZEPRQQGK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.238,214-562-1,1149-26-4,N-(benzyloxycarbonyl)-L-valine,N-[(benzyloxy)carbonyl]-L-valine,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)",C13H17NO4,,,,,,CANZBRDGRHNSGZ-NSHDSACASA-N,,,,,,,,,,,
100.023.816,226-197-5,5325-20-2,"4H-1,4-benzothiazin-3-one","2H-1,4-benzothiazin-3(4H)-one",O=C1CSc2ccccc2N1,O=C1CSc2ccccc2N1,"InChI=1/C8H7NOS/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)",C8H7NOS,,,,,,GTFMIJNXNMDHAB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.817,226-198-0,5325-43-9,"Disodium 1,2-ethanedisulphonate","disodium ethane-1,2-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)CCS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)CCS(=O)(=O)[O-],"InChI=1/C2H6O6S2.2Na/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2",C2H6O6S2.2Na,,,,,,BJTHMUJCKBTCFR-UHFFFAOYSA-L,,,,,,,,,,,
100.023.824,226-206-2,5326-80-7,"6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",Cc1nc(N)c2cn[nH]c2n1,Cc1nc(N)c2cn[nH]c2n1,"InChI=1/C6H7N5/c1-3-9-5(7)4-2-8-11-6(4)10-3/h2H,1H3,(H3,7,8,9,10,11)",C6H7N5,,,,,,BBEHITOHXPPLSS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.827,226-209-9,5327-59-3,"11ß,21-dihydroxypregna-4,17(20)-dien-3-one 21-acetate","11-hydroxy-3-oxopregna-4,17-dien-21-yl acetate",CC(=O)OC\\C=C\\1/CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)OC\C=C\1/CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C23H32O4/c1-14(24)27-11-9-15-5-7-19-18-6-4-16-12-17(25)8-10-22(16,2)21(18)20(26)13-23(15,19)3/h9,12,18-21,26H,4-8,10-11,13H2,1-3H3",C23H32O4,,,,,,SUFJHQFIKDZJAJ-VQHCNBGJSA-N,,,,,,,,,,,
100.023.828,226-210-4,5327-72-0,"1,4-diaminoanthracene-9,10-diol","1,4-diaminoanthracene-9,10-diol",Nc1ccc(N)c2c(O)c3ccccc3c(O)c12,Nc1ccc(N)c2c(O)c3ccccc3c(O)c12,"InChI=1/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,17-18H,15-16H2",C14H12N2O2,,,,,,WGOXABJBDOYQFK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.829,226-212-5,5327-91-3,4-ethoxyphenoxyacetic acid,(4-ethoxyphenoxy)acetic acid,CCOc1ccc(OCC(=O)O)cc1,CCOc1ccc(OCC(=O)O)cc1,"InChI=1/C10H12O4/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)",C10H12O4,,,,,,NSVKLONIKJVUPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.837,226-220-9,5329-79-3,1-methylpentylamine,hexan-2-amine,CCCCC(C)N,CCCCC(C)N,"InChI=1/C6H15N/c1-3-4-5-6(2)7/h6H,3-5,7H2,1-2H3",C6H15N,,,,,,WGBBUURBHXLGFM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.840,226-224-0,5330-29-0,"N,N-diethyl-N'-(6-methoxy-4-methyl-8-quinolyl)hexane-1,6-diamine dihydrochloride","N,N-diethyl-N'-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine dihydrochloride",Cl.Cl.CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12,Cl.Cl.CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12,"InChI=1/C21H33N3O.2ClH/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20;;/h11,13,15-16,22H,5-10,12,14H2,1-4H3;2*1H",C21H33N3O.2ClH,,,,,,AFMFKGVIHLNIEO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.842,226-226-1,5331-14-6,(2-butoxyethyl)benzene,(2-butoxyethyl)benzene,CCCCOCCc1ccccc1,CCCCOCCc1ccccc1,"InChI=1/C12H18O/c1-2-3-10-13-11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3",C12H18O,,,,,,KLJOZKBZXLRMLU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.847,226-231-9,5331-48-6,N-propylacetamide,N-propylacetamide,CCCNC(=O)C,CCCNC(=O)C,"InChI=1/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)",C5H11NO,,,,,,IHPHPGLJYCDONF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.853,226-238-7,5332-25-2,6-bromoquinoline,6-bromoquinoline,Brc1ccc2ncccc2c1,Brc1ccc2ncccc2c1,InChI=1/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,C9H6BrN,,,,,,IFIHYLCUKYCKRH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.854,226-239-2,5332-26-3,N-(bromomethyl)phthalimide,"2-(bromomethyl)-1H-isoindole-1,3(2H)-dione",BrCN1C(=O)c2ccccc2C1=O,BrCN1C(=O)c2ccccc2C1=O,"InChI=1/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2",C9H6BrNO2,,,,,,UUSLLECLCKTJQF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.065,216-571-6,1617-22-7,Ethyl cyclohexenecarboxylate,ethyl cyclohex-1-ene-1-carboxylate,CCOC(=O)C1=CCCCC1,CCOC(=O)C1=CCCCC1,"InChI=1/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3",C9H14O2,,,,,,HDKVSEUEUWKMFS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.069,216-575-8,1617-68-1,"Lup-20(29)-en-3-ol, acetate, (3ß)-",lup-20(29)-en-3-yl acetate,CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12,CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12,"InChI=1/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3",C32H52O2,,,,,,ODSSDTBFHAYYMD-YOJQYFTNSA-N,,,,,,,,,,,
100.015.071,216-577-9,1618-26-4,"2,4-dithiapentane",bis(methylsulfanyl)methane,CSCSC,CSCSC,"InChI=1/C3H8S2/c1-4-3-5-2/h3H2,1-2H3",C3H8S2,,,,,,LOCDPORVFVOGCR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.072,216-578-4,1619-34-7,Quinuclidin-3-ol,quinuclidin-3-ol,OC1CN2CCC1CC2,OC1CN2CCC1CC2,"InChI=1/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2",C7H13NO,,,,,,IVLICPVPXWEGCA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.075,216-582-6,1619-62-1,Diethyl dimethylmalonate,diethyl dimethylmalonate,CCOC(=O)C(C)(C)C(=O)OCC,CCOC(=O)C(C)(C)C(=O)OCC,"InChI=1/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4H3",C9H16O4,,,,,,UELKSYXXNGHTSE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.077,216-584-7,1620-30-0,a-(4-pyridyl)benzhydryl alcohol,diphenyl(pyridin-4-yl)methanol,OC(c1ccccc1)(c2ccccc2)c3ccncc3,OC(c1ccccc1)(c2ccccc2)c3ccncc3,"InChI=1/C18H15NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,20H",C18H15NO,,,,,,MRHLFZXYRABVOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.082,216-589-4,1620-77-5,5-methylpyridine-2-carbonitrile,5-methylpyridine-2-carbonitrile,Cc1ccc(nc1)C#N,Cc1ccc(nc1)C#N,"InChI=1/C7H6N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,1H3",C7H6N2,,,,,,LIEQVZZZYLHNRH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.083,216-591-5,1620-93-5,"a,a'-thiobis(2,6-di-tert-butyl-p-cresol)","4,4'-[sulfanediylbis(methylene)]bis(2,6-di-tert-butylphenol)",CC(C)(C)c1cc(CSCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CSCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3",C30H46O2S,,,,,,UDFARPRXWMDFQU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.090,216-598-3,1622-67-9,"1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-ol","3-isopropyl-8-methyl-1,5-dihydro[1,3]dioxepino[5,6-c]pyridin-9-ol",CC(C)C1OCc2cnc(C)c(O)c2CO1,CC(C)C1OCc2cnc(C)c(O)c2CO1,"InChI=1/C12H17NO3/c1-7(2)12-15-5-9-4-13-8(3)11(14)10(9)6-16-12/h4,7,12,14H,5-6H2,1-3H3",C12H17NO3,,,,,,JTDBGJWBSDBUQB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.091,216-599-9,1622-79-3,1-[3-(p-fluorobenzoyl)propyl]-4-methylpiperazinium chloride,1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazin-1-ium chloride,[Cl-].CN1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1,[Cl-].CN1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1,"InChI=1/C15H21FN2O.ClH/c1-17-9-11-18(12-10-17)8-2-3-15(19)13-4-6-14(16)7-5-13;/h4-7H,2-3,8-12H2,1H3;1H",C16H22FNO.ClH,,,,,,VYCOXBHIFBCACZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.097,216-606-5,1623-19-4,Triallyl phosphate,triallyl phosphate,C=CCOP(=O)(OCC=C)OCC=C,C=CCOP(=O)(OCC=C)OCC=C,"InChI=1/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2",C9H15O4P,,,,,,XHGIFBQQEGRTPB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.111,216-621-7,1628-29-1,Methyl phenothiazin-10-yl ketone,10-acetyl-10H-phenothiazine,CC(=O)N1c2ccccc2Sc3ccccc13,CC(=O)N1c2ccccc2Sc3ccccc13,"InChI=1/C14H11NOS/c1-10(16)15-11-6-2-4-8-13(11)17-14-9-5-3-7-12(14)15/h2-9H,1H3",C14H11NOS,,,,,,DNVNQWUERFZASD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.111,223-221-6,3772-98-3,"N-(5,10,15,16-tetrahydro-5,10,15-trioxoanthra[2,1,9-mna]naphth[2,3-h]acridin-11-yl)benzamide","N-(5,10,15-trioxo-5,10,15,16-tetrahydroanthra[2,1,9-mna]naphtho[2,3-h]acridin-11-yl)benzamide",O=C(Nc1cccc2C(=O)c3c4Nc5ccc6c7ccccc7C(=O)c8ccc(c4ccc3C(=O)c12)c5c68)c9ccccc9,O=C(Nc1cccc2C(=O)c3c4Nc5ccc6c7ccccc7C(=O)c8ccc(c4ccc3C(=O)c12)c5c68)c9ccccc9,"InChI=1/C38H20N2O4/c41-35-24-10-5-4-9-20(24)21-17-18-29-31-22(13-15-26(35)30(21)31)23-14-16-27-33(34(23)39-29)37(43)25-11-6-12-28(32(25)36(27)42)40-38(44)19-7-2-1-3-8-19/h1-18,39H,(H,40,44)",C38H20N2O4,,,,,,MLXIUWALSIPJQP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.112,223-222-1,2/10/3773,"2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[5-butylbenzenesulphonic] acid","2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]bis(4-butylbenzenesulfonic acid)",CCCCc1ccc(c(Nc2ccc(Nc3cc(CCCC)ccc3S(=O)(=O)O)c4C(=O)c5ccccc5C(=O)c24)c1)S(=O)(=O)O,CCCCc1ccc(c(Nc2ccc(Nc3cc(CCCC)ccc3S(=O)(=O)O)c4C(=O)c5ccccc5C(=O)c24)c1)S(=O)(=O)O,"InChI=1/C34H34N2O8S2/c1-3-5-9-21-13-17-29(45(39,40)41)27(19-21)35-25-15-16-26(32-31(25)33(37)23-11-7-8-12-24(23)34(32)38)36-28-20-22(10-6-4-2)14-18-30(28)46(42,43)44/h7-8,11-20,35-36H,3-6,9-10H2,1-2H3,(H,39,40,41)(H,42,43,44)",C34H34N2O8S2,,,,,,SMKDEHYKQHEJBM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.116,223-226-3,3775-51-7,N-(carboxymethyl)-N-(1-oxododecyl)glycine,"2,2'-(dodecanoylimino)diacetic acid",CCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O,CCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O,"InChI=1/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22)",C16H29NO5,,,,,,PCNAKWUTWPAVMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.082,225-390-1,4816-80-2,N-(p-tolylsulphonyl)-L-glutamic acid,N-[(4-methylphenyl)sulfonyl]-L-glutamic acid,Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O,Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C12H15NO6S/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)",C12H15NO6S,,,,,,KKOZKXBAPIYWAT-JTQLQIEISA-N,,,,,,,,,,,
100.023.096,225-406-7,4828-27-7,Clocortolone,"9-chloro-6-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,"InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3",C22H28ClFO4,,,,,,YMTMADLUXIRMGX-RFPWEZLHSA-N,,,,,,,,,,,
100.023.097,225-407-2,4828-44-8,Tetrahexylgermanium,tetrahexylgermane,CCCCCC[Ge+](CCCCCC)(CCCCCC)CCCCCC,CCCCCC[Ge+](CCCCCC)(CCCCCC)CCCCCC,"InChI=1/C24H52Ge/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3",C24H52Ge,,,,,,DEGHWEROZPBYGW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.099,225-409-3,4831-47-4,"3-amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid","3-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",Nc1cc2C(=O)c3ccccc3C(=O)c2cc1C(=O)O,Nc1cc2C(=O)c3ccccc3C(=O)c2cc1C(=O)O,"InChI=1/C15H9NO4/c16-12-6-10-9(5-11(12)15(19)20)13(17)7-3-1-2-4-8(7)14(10)18/h1-6H,16H2,(H,19,20)",C15H9NO4,,,,,,SSONOLLEQNJAFC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.101,225-411-4,4832-17-1,Bicyclo[4.4.0]decan-2-one,octahydronaphthalen-1(2H)-one,O=C1CCCC2CCCCC12,O=C1CCCC2CCCCC12,"InChI=1/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-9H,1-7H2",C10H16O,,,,,,AFEFRXAPJRCTOW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.102,225-413-5,4833-24-3,2-ethylpyridine 1-oxide,2-ethylpyridine 1-oxide,CCc1cccc[n+]1[O-],CCc1cccc[n+]1[O-],"InChI=1/C7H9NO/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3",C7H9NO,,,,,,UOLHRLVWZSCASU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.104,225-415-6,4833-82-3,"Methyl (19a)-16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate hydrochloride","methyl 11-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate hydrochloride",Cl.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12,Cl.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12,"InChI=1/C22H26N2O4.ClH/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3;/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3;1H",C22H26N2O4.ClH,,,,,,IHPVQOSVNZAAPN-DPQYUFSSSA-N,,,,,,,,,,,
100.023.106,225-417-7,4/11/4835,"N,N'-dibutylhexane-1,6-diamine","N,N'-dibutylhexane-1,6-diamine",CCCCNCCCCCCNCCCC,CCCCNCCCCCCNCCCC,"InChI=1/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3",C14H32N2,,,,,,VZRUGPJUVWRHKM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.969,229-665-7,6647-27-4,"4,11-diamino-2-(2-methylpropyl)-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone","4,11-diamino-2-isobutyl-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",CC(C)CN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,CC(C)CN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C20H17N3O4/c1-8(2)7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-3-4-6-10(9)18(12)25/h3-6,8H,7,21-22H2,1-2H3",C20H17N3O4,,,,,,HDKCUVFLXISKKK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.973,229-669-9,6649-55-4,2-imino-a-phenylthiazolidin-3-ethanol monohydrobromide,"2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol hydrobromide",Br.OC(CN1CCSC1=N)c2ccccc2,Br.OC(CN1CCSC1=N)c2ccccc2,"InChI=1/C11H14N2OS.BrH/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;/h1-5,10,12,14H,6-8H2;1H",C11H14N2OS.BrH,,,,,,YXGODDMQKKSXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.982,229-679-3,6654-64-4,"Naphthalene-1,3,5-trisulphonic acid","naphthalene-1,3,5-trisulfonic acid",OS(=O)(=O)c1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,OS(=O)(=O)c1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)",C10H8O9S3,,,,,,INMHJULHWVWVFN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.985,229-683-5,6655-95-4,"Tetrasodium 2,2'-[[4,4'-bis[[1-hydroxy-6-[(4-methoxyphenyl)amino]-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-3,3'-diyl]bis(oxy)]diacetate","tetrasodium 2,2'-{[4,4'-bis({1-hydroxy-6-[(4-methoxyphenyl)amino]-3-sulfonato-2-naphthyl}diazenyl)biphenyl-3,3'-diyl]bis(oxy)}diacetate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2cc(Nc1ccc(OC)cc1)ccc2c(O)c8N=Nc3ccc(cc3OCC([O-])=O)c4cc(OCC([O-])=O)c(cc4)N=Nc7c(cc6cc(Nc5ccc(OC)cc5)ccc6c7O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2cc(Nc1ccc(OC)cc1)ccc2c(O)c8N=Nc3ccc(cc3OCC([O-])=O)c4cc(OCC([O-])=O)c(cc4)N=Nc7c(cc6cc(Nc5ccc(OC)cc5)ccc6c7O)S([O-])(=O)=O,"InChI=1/C50H40N6O16S2.4Na/c1-69-35-11-5-31(6-12-35)51-33-9-15-37-29(19-33)23-43(73(63,64)65)47(49(37)61)55-53-39-17-3-27(21-41(39)71-25-45(57)58)28-4-18-40(42(22-28)72-26-46(59)60)54-56-48-44(74(66,67)68)24-30-20-34(10-16-38(30)50(48)62)52-32-7-13-36(70-2)14-8-32;;;;/h3-24,51-52,61-62H,25-26H2,1-2H3,(H,57,58)(H,59,60)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C50H40N6O16S2.4Na,,,,,,VOKDSCNEKOORBR-UHFFFAOYSA-J,,,,,,,,,,,
100.026.992,229-690-3,6657-32-5,3-[(2-hydroxyethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile,3-[(2-hydroxyethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]propanenitrile,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCO)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCO)cc2,"InChI=1/C17H17N5O3/c18-10-1-11-21(12-13-23)16-6-2-14(3-7-16)19-20-15-4-8-17(9-5-15)22(24)25/h2-9,23H,1,11-13H2",C17H17N5O3,,,,,,OGHAROMWUKGSDP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.102,223-211-1,3770-97-6,"6-diazo-5,6-dihydro-5-oxonaphthalene-2-sulphonyl chloride","6-diazo-5-oxo-5,6-dihydronaphthalene-2-sulfonyl chloride",ClS(=O)(=O)c1ccc2C(=O)C(=[N+]=[N-])C=Cc2c1,ClS(=O)(=O)c1ccc2C(=O)C(=[N+]=[N-])C=Cc2c1,"InChI=1/C10H5ClN2O3S/c11-17(15,16)7-2-3-8-6(5-7)1-4-9(13-12)10(8)14/h1-5H",C10H5ClN2O3S,,,,,,UKHASENTXKJJFE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.106,223-215-3,3772-26-7,1-(isopropyl)pyrrolidin-2-one,1-isopropylpyrrolidin-2-one,CC(C)N1CCCC1=O,CC(C)N1CCCC1=O,"InChI=1/C7H13NO/c1-6(2)8-5-3-4-7(8)9/h6H,3-5H2,1-2H3",C7H13NO,,,,,,GHELJWBGTIKZQW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.107,223-216-9,3772-44-9,"2-[[7-[(2-arsonophenyl)azo]-1,8-dihydroxy-3,6-disulpho-2-naphthyl]azo]benzoic acid","2-({7-[(2-arsonophenyl)diazenyl]-1,8-dihydroxy-3,6-disulfo-2-naphthyl}diazenyl)benzoic acid",O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccccc2C(O)=O)c3O)S(O)(=O)=O,O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccccc2C(O)=O)c3O)S(O)(=O)=O,"InChI=1/C23H17AsN4O13S2/c29-21-18-11(9-16(42(36,37)38)19(21)27-25-14-7-3-1-5-12(14)23(31)32)10-17(43(39,40)41)20(22(18)30)28-26-15-8-4-2-6-13(15)24(33,34)35/h1-10,29-30H,(H,31,32)(H2,33,34,35)(H,36,37,38)(H,39,40,41)",C23H17AsN4O13S2,,,,,,RZYBKUZTYOBWAB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.925,219-717-7,2508-19-2,"2,4,6-trinitrobenzenesulphonic acid","2,4,6-trinitrobenzenesulfonic acid",OS(=O)(=O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],OS(=O)(=O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O9S/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-2H,(H,16,17,18)",C6H3N3O9S,,,,,,NHJVRSWLHSJWIN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.934,219-727-1,2510-99-8,Ethyl 2-phenylpropionate,ethyl hydratropate,CCOC(=O)C(C)c1ccccc1,CCOC(=O)C(C)c1ccccc1,"InChI=1/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",C11H14O2,,,,,,UTUVIKZNQWNGIM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.936,219-729-2,2511-22-0,"Methyl 3,5-bis-tert-butyl-4-hydroxybenzoate","methyl 3,5-di-tert-butyl-4-hydroxybenzoate",COC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,COC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3",C16H24O3,,,,,,UPVYFJALDJUSOV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.942,219-736-0,2516-34-9,Cyclobutylamine,cyclobutanamine,NC1CCC1,NC1CCC1,"InChI=1/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2",C4H9N,,,,,,KZZKOVLJUKWSKX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.946,219-740-2,6/04/2517,L-pyrrolidine-2-carboxylic acid,proline,OC(=O)C1CCCN1,OC(=O)C1CCCN1,"InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)",C4H7NO2,,,,,,ONIBWKKTOPOVIA-UHFFFAOYSA-N,Positive,ML005301,[M+H]+,HCD50,116.0709:98.0604,MetaboLights,,,,,
100.017.948,219-742-3,2518-53-8,5-hexylfuran-2(5H)-one,5-hexylfuran-2(5H)-one,CCCCCCC1OC(=O)C=C1,CCCCCCC1OC(=O)C=C1,"InChI=1/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h7-9H,2-6H2,1H3",C10H16O2,,,,,,DKHZWQLGZWVFFH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.949,219-743-9,2518-72-1,5-ethylbarbituric acid,"5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1C(=O)NC(=O)NC1=O,CCC1C(=O)NC(=O)NC1=O,"InChI=1/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)",C6H8N2O3,,,,,,FMTLDVACNZDTQL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.955,219-750-7,2523-37-7,9-methyl-9H-fluorene,9-methyl-9H-fluorene,CC1c2ccccc2c3ccccc13,CC1c2ccccc2c3ccccc13,"InChI=1/C14H12/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-10H,1H3",C14H12,,,,,,ZVEJRZRAUYJYCO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.966,219-762-2,2525-16-8,"Methyl 3,4,5,6-tetrahydro-7H-azepin-2-yl ether","7-methoxy-3,4,5,6-tetrahydro-2H-azepine",COC1=NCCCCC1,COC1=NCCCCC1,"InChI=1/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3",C7H13NO,,,,,,DNXIQMQGKSQHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.968,219-764-3,2526-62-7,3-(trimethoxysilyl)propiononitrile,3-(trimethoxysilyl)propanenitrile,CO[Si](CCC#N)(OC)OC,CO[Si](CCC#N)(OC)OC,"InChI=1/C6H13NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4,6H2,1-3H3",C6H13NO3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10069,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.968,KVUMYOWDFZAGPN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.232,224-454-6,1/06/4364,"(3,3-dimethoxypropen-1-yl)benzene","(3,3-dimethoxyprop-1-en-1-yl)benzene",COC(C=Cc1ccccc1)OC,COC(C=Cc1ccccc1)OC,"InChI=1/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3",C11H14O2,,,,,,MBAOABFNWSOOLU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.235,224-457-2,3/06/4368,3-hydroxybutyronitrile,3-hydroxybutanenitrile,CC(O)CC#N,CC(O)CC#N,"InChI=1/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3",C4H7NO,,,,,,BYJAJQGCMSBKPB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.237,224-459-3,4368-51-8,Tetraheptylammonium bromide,"N,N,N-triheptylheptan-1-aminium bromide",[Br-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC,[Br-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC,"InChI=1/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",C28H60N.Br,,,,,,YQIVQBMEBZGFBY-UHFFFAOYSA-M,,,,,,,,,,,
100.022.238,224-460-9,4368-56-3,"Sodium 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCCCC4)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCCCC4)cc1S(=O)(=O)[O-],"InChI=1/C20H20N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27);/q;+1/p-1",C20H20N2O5S.Na,,,,,,DJDYMAHXZBQZKH-UHFFFAOYSA-M,,,,,,,,,,,
100.023.860,226-246-0,5333-83-5,1-(2-thienyl)butan-1-one,1-(2-thienyl)butan-1-one,CCCC(=O)c1cccs1,CCCC(=O)c1cccs1,"InChI=1/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3",C8H10OS,,,,,,YXHIINNJOGKPLF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.864,226-250-2,8/09/5334,Cyclohexyl isobutyl phthalate,cyclohexyl isobutyl phthalate,CC(C)COC(=O)c1ccccc1C(=O)OC2CCCCC2,CC(C)COC(=O)c1ccccc1C(=O)OC2CCCCC2,"InChI=1/C18H24O4/c1-13(2)12-21-17(19)15-10-6-7-11-16(15)18(20)22-14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3",C18H24O4,,,,,,ACVHLWLOORYJEE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.538,225-892-0,5137-36-0,"1,3-dioxolan-4-ylmethyl bromoacetate","1,3-dioxolan-4-ylmethyl bromoacetate",BrCC(=O)OCC1COCO1,BrCC(=O)OCC1COCO1,"InChI=1/C6H9BrO4/c7-1-6(8)10-3-5-2-9-4-11-5/h5H,1-4H2",C6H9BrO4,,,,,,XIPUPLUONQGLHW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.550,225-904-4,5140-72-7,2-bromo-6-chloropyridine,2-bromo-6-chloropyridine,Clc1cccc(Br)n1,Clc1cccc(Br)n1,InChI=1/C5H3BrClN/c6-4-2-1-3-5(7)8-4/h1-3H,C5H3BrClN,,,,,,JWTZSVLLPKTZJP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.553,225-908-6,5142-23-4,3-methyl-3H-adenine,3-methyl-3H-purin-6-amine,Cn1cnc(N)c2ncnc12,Cn1cnc(N)c2ncnc12,"InChI=1/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3",C6H7N5,,,,,,FSASIHFSFGAIJM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.556,225-911-2,5143-94-2,Methyl 6-methylergoline-8a-carboxylate,methyl 6-methylergoline-8-carboxylate,COC(=O)[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1,COC(=O)[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1,"InChI=1/C17H20N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-5,8,11,13,15,18H,6-7,9H2,1-2H3",C17H20N2O2,,,,,,OSKZYLPFYNARRX-NJZAAPMLSA-N,,,,,,,,,,,
100.023.557,225-912-8,5/10/5144,Pentamethylbenzonitrile,pentamethylbenzonitrile,Cc1c(C)c(C)c(C#N)c(C)c1C,Cc1c(C)c(C)c(C#N)c(C)c1C,InChI=1/C12H15N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h1-5H3,C12H15N,,,,,,NCDPYDGGUAKABA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.567,225-923-8,5150-50-5,"1',3'-dihydro-1',3',3'-trimethyl-8-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]","1',3',3'-trimethyl-8-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]",CN1c2ccccc2C(C)(C)C13Oc4c(C=C3)cccc4[N+](=O)[O-],CN1c2ccccc2C(C)(C)C13Oc4c(C=C3)cccc4[N+](=O)[O-],"InChI=1/C19H18N2O3/c1-18(2)14-8-4-5-9-15(14)20(3)19(18)12-11-13-7-6-10-16(21(22)23)17(13)24-19/h4-12H,1-3H3",C19H18N2O3,,,,,,AZZVYIDATNYVSN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.569,225-925-9,5153-25-3,2-ethylhexyl 4-hydroxybenzoate,2-ethylhexyl 4-hydroxybenzoate,CCCCC(CC)COC(=O)c1ccc(O)cc1,CCCCC(CC)COC(=O)c1ccc(O)cc1,"InChI=1/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3",C15H22O3,,,,,,VTIMKVIDORQQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.570,225-926-4,5153-40-2,Bromopentamethylbenzene,"1-bromo-2,3,4,5,6-pentamethylbenzene",Cc1c(C)c(C)c(Br)c(C)c1C,Cc1c(C)c(C)c(Br)c(C)c1C,InChI=1/C11H15Br/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3,C11H15Br,,,,,,XPDQRULPGCFCLX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.244,214-568-4,1152-61-0,N-benzyloxycarbonyl-L-aspartic acid,N-[(benzyloxy)carbonyl]-L-aspartic acid,OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O,OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)",C12H13NO6,,,,,,XYXYXSKSTZAEJW-VIFPVBQESA-N,,,,,,,,,,,
100.013.245,214-570-5,1152-62-1,N-(benzyloxycarbonyl)-L-methionine,N-[(benzyloxy)carbonyl]-L-methionine,CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C13H17NO4S/c1-19-8-7-11(12(15)16)14-13(17)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16)",C13H17NO4S,,,,,,FPKHNNQXKZMOJJ-NSHDSACASA-N,,,,,,,,,,,
100.013.246,214-571-0,1153-05-5,Triphenylarsine oxide,triphenylarsine oxide,O=[As](c1ccccc1)(c2ccccc2)c3ccccc3,O=[As](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H15AsO/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15AsO,,,,,,CLVJBRYGLQNRDA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.247,214-572-6,1153-06-6,Chlorotriphenylplumbane,chloro(triphenyl)plumbane,Cl[Pb](c1ccccc1)(c2ccccc2)c3ccccc3,Cl[Pb](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.ClH.Pb/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1/rC18H15ClPb/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15ClPb,,,,,,RJSSWRDMHBJWKN-UHFFFAOYSA-M,,,,,,,,,,,
100.013.251,214-576-8,1154-59-2,"3,3',4',5-tetrachlorosalicylanilide","3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide",Oc1c(Cl)cc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2,Oc1c(Cl)cc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2,"InChI=1/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)",C13H7Cl4NO2,,,,,,SJQBHPJLLIJASD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.117,223-227-9,3775-84-6,"Acetaldehyde bis(2,3-epoxypropyl)acetal","2,2'-[ethane-1,1-diylbis(oxymethylene)]dioxirane",CC(OCC1CO1)OCC2CO2,CC(OCC1CO1)OCC2CO2,"InChI=1/C8H14O4/c1-6(9-2-7-4-11-7)10-3-8-5-12-8/h6-8H,2-5H2,1H3",C8H14O4,,,,,,MIQWTCWXRZROTM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.120,223-231-0,3776-30-5,"2,2,6,6-tetrachlorocyclohexan-1-one","2,2,6,6-tetrachlorocyclohexanone",ClC1(Cl)CCCC(Cl)(Cl)C1=O,ClC1(Cl)CCCC(Cl)(Cl)C1=O,"InChI=1/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2",C6H6Cl4O,,,,,,QCAHVKJGHYVLIS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.125,217-737-0,1943-87-9,Methyl (4-nitrophenyl)carbamate,methyl (4-nitrophenyl)carbamate,COC(=O)Nc1ccc(cc1)[N+](=O)[O-],COC(=O)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-14-8(11)9-6-2-4-7(5-3-6)10(12)13/h2-5H,1H3,(H,9,11)",C8H8N2O4,,,,,,DAWCBJXIGOELKF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.127,217-739-1,1943-97-1,"p,p'-(octahydro-4,7-methano-5H-inden-5-ylidene)bisphenol","4,4'-octahydro-1H-4,7-methanoindene-5,5-diyldiphenol",Oc1ccc(cc1)C2(CC3CC2C4CCCC34)c5ccc(O)cc5,Oc1ccc(cc1)C2(CC3CC2C4CCCC34)c5ccc(O)cc5,"InChI=1/C22H24O2/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)13-14-12-21(22)20-3-1-2-19(14)20/h4-11,14,19-21,23-24H,1-3,12-13H2",C22H24O2,,,,,,WWCSTJWKTAXUGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.129,217-741-2,4/05/1944,"2,3,4,5,6-pentafluorobenzhydryl alcohol",(pentafluorophenyl)(phenyl)methanol,OC(c1ccccc1)c2c(F)c(F)c(F)c(F)c2F,OC(c1ccccc1)c2c(F)c(F)c(F)c(F)c2F,"InChI=1/C13H7F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5,13,19H",C13H7F5O,,,,,,PMIIFKURPQGSMI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.136,217-749-6,1947-33-7,4-nitrobenzenediazonium toluene-4-sulphonate,4-nitrobenzenediazonium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].[O-][N+](=O)c2ccc(cc2)[N+]#N,Cc1ccc(cc1)S(=O)(=O)[O-].[O-][N+](=O)c2ccc(cc2)[N+]#N,"InChI=1/C7H8O3S.C6H4N3O2/c1-6-2-4-7(5-3-6)11(8,9)10;7-8-5-1-3-6(4-2-5)9(10)11/h2-5H,1H3,(H,8,9,10);1-4H/q;+1/p-1",C7H7O3S.C6H4N3O2,,,,,,OZERWKFPYAZZIL-UHFFFAOYSA-M,,,,,,,,,,,
100.016.146,217-760-6,1949-20-8,Oxolamine dihydrogen citrate,"N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCN(CC)CCc1onc(n1)c2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCN(CC)CCc1onc(n1)c2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C14H19N3O.xC6H8O7,,,,,,RBZIGQJSMCOHSS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.148,217-762-7,1949-51-5,"Ethyl 3,5-diaminobenzoate","ethyl 3,5-diaminobenzoate",CCOC(=O)c1cc(N)cc(N)c1,CCOC(=O)c1cc(N)cc(N)c1,"InChI=1/C9H12N2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,10-11H2,1H3",C9H12N2O2,,,,,,IDLVQOMJOKNXSL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.149,217-763-2,1949-78-6,L-lyxose,L-lyxose,OC[C@H](O)[C@@H](O)[C@@H](O)C=O,OC[C@H](O)[C@@H](O)[C@@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-YUPRTTJUSA-N,,,,,,,,,,,
100.016.155,217-770-0,1950-85-2,Sodium methanethiosulphonate,sodium methanesulfonothioate,[Na+].CS(=O)(=O)[S-],[Na+].CS(=O)(=O)[S-],"InChI=1/CH4O2S2.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",CH4O2S2.Na,,,,,,JFTZUZWJGUCSTE-UHFFFAOYSA-M,,,,,,,,,,,
100.017.980,219-777-4,6/07/2530,(25R)-5a-spirostan-3ß-yl acetate,spirostan-3-yl acetate,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OC(=O)C,C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OC(=O)C,"InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3",C29H46O4,,,,,,LVRAKYNQYKVPIK-OMRXZHHXSA-N,,,,,,,,,,,
100.017.993,219-792-6,2/07/2532,Sodium N-(phenylsulphonyl)benzenesulphonamidate,sodium bis(phenylsulfonyl)azanide,[Na]N(S(=O)(=O)c1ccccc1)S(=O)(=O)c2ccccc2,[Na]N(S(=O)(=O)c1ccccc1)S(=O)(=O)c2ccccc2,"InChI=1/C12H10NO4S2.Na/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12;/h1-10H;/q-1;+1/rC12H10NNaO4S2/c14-13(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H",C12H11NO4S2.Na,,,,,,OUDIZSXRGGGZNM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.994,219-793-1,2532-58-3,"cis-1,3-dimethylcyclopentane","1,3-dimethylcyclopentane",C[C@@H]1CC[C@H](C)C1,C[C@@H]1CC[C@H](C)C1,"InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3",C7H14,,,,,,XAZKFISIRYLAEE-KNVOCYPGSA-N,,,,,,,,,,,
100.017.997,219-796-8,2533-69-9,"Methyl 2,2,2-trichloroacetimidate","methyl 2,2,2-trichloroethanimidoate",COC(=N)C(Cl)(Cl)Cl,COC(=N)C(Cl)(Cl)Cl,"InChI=1/C3H4Cl3NO/c1-8-2(7)3(4,5)6/h7H,1H3",C3H4Cl3NO,,,,,,OGBINJLTBZWRRB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.998,219-797-3,2534-66-9,1-octylpyridinium bromide,1-octylpyridinium bromide,[Br-].CCCCCCCC[n+]1ccccc1,[Br-].CCCCCCCC[n+]1ccccc1,"InChI=1/C13H22N.BrH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1",C13H22N.Br,,,,,,LNKPCMOUFKLBCM-UHFFFAOYSA-M,,,,,,,,,,,
100.026.993,229-691-9,6657-33-6,3-[4-[(2-chloro-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]propiononitrile,3-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-hydroxyethyl)amino]propanenitrile,OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2Cl)N(=O)=O,OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2Cl)N(=O)=O,"InChI=1/C17H16ClN5O3/c18-16-12-15(23(25)26)6-7-17(16)21-20-13-2-4-14(5-3-13)22(10-11-24)9-1-8-19/h2-7,12,24H,1,9-11H2",C17H16ClN5O3,,,,,,UHWBGWWOTKVSDD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.997,229-696-6,6659-35-4,6-guanidinohexanoic acid,6-carbamimidamidohexanoic acid,NC(=N)NCCCCCC(=O)O,NC(=N)NCCCCCC(=O)O,"InChI=1/C7H15N3O2/c8-7(9)10-5-3-1-2-4-6(11)12/h1-5H2,(H,11,12)(H4,8,9,10)",C7H15N3O2,,,,,,NSDYIDKTTPXCRH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.998,229-697-1,6659-60-5,"Butane-1,2,4-triyl trinitrate","butane-1,2,4-triyl trinitrate",[O-][N+](=O)OCCC(CO[N+](=O)[O-])O[N+](=O)[O-],[O-][N+](=O)OCCC(CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C4H7N3O9/c8-5(9)14-2-1-4(16-7(12)13)3-15-6(10)11/h4H,1-3H2",C4H7N3O9,,,,,,RDLIBIDNLZPAQD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.625,231-486-4,7581-97-7,"2,3-dichlorobutane","2,3-dichlorobutane",CC(Cl)C(C)Cl,CC(Cl)C(C)Cl,"InChI=1/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3",C4H8Cl2,,,,,,RMISVOPUIFJTEO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.626,231-488-5,7583-53-1,(1-methyl-3-piperidyl)methanol,(1-methylpiperidin-3-yl)methanol,CN1CCCC(CO)C1,CN1CCCC(CO)C1,"InChI=1/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3",C7H15NO,,,,,,UGXQXVDTGJCQHR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.629,231-491-1,6/05/7584,3-methylisonicotinonitrile,3-methylisonicotinonitrile,Cc1cnccc1C#N,Cc1cnccc1C#N,"InChI=1/C7H6N2/c1-6-5-9-3-2-7(6)4-8/h2-3,5H,1H3",C7H6N2,,,,,,SFNWPKSTEHBXSY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.531,229-184-2,6424-67-5,"5,7-dichloro-1,2-dihydro-2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)-3H-indol-3-one","5,7-dichloro-2-(1-oxonaphtho[2,1-b]thiophen-2(1H)-ylidene)-1,2-dihydro-3H-indol-3-one",O=C1c5cc(Cl)cc(Cl)c5NC1=C4Sc3ccc2ccccc2c3C4=O,O=C1c5cc(Cl)cc(Cl)c5NC1=C4Sc3ccc2ccccc2c3C4=O,"InChI=1/C20H9Cl2NO2S/c21-10-7-12-16(13(22)8-10)23-17(18(12)24)20-19(25)15-11-4-2-1-3-9(11)5-6-14(15)26-20/h1-8,23H",C20H9Cl2NO2S,,,,,,BKVJJSTZTYUNCH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.532,229-185-8,6424-75-5,"Sodium 6-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate","sodium 4-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-3-methylbenzenesulfonate",[Na+].Cc1cc(ccc1Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[Na+].Cc1cc(ccc1Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C21H15BrN2O5S.Na/c1-10-8-11(30(27,28)29)6-7-15(10)24-16-9-14(22)19(23)18-17(16)20(25)12-4-2-3-5-13(12)21(18)26;/h2-9,24H,23H2,1H3,(H,27,28,29);/q;+1/p-1",C21H15BrN2O5S.Na,,,,,,HFOJCMALUODYIS-UHFFFAOYSA-M,,,,,,,,,,,
100.026.538,229-192-6,7/08/6425,"4,4'-(phenylmethylene)bismorpholine","4,4'-(phenylmethylene)dimorpholine",C1CN(CCO1)C(N2CCOCC2)c3ccccc3,C1CN(CCO1)C(N2CCOCC2)c3ccccc3,"InChI=1/C15H22N2O2/c1-2-4-14(5-3-1)15(16-6-10-18-11-7-16)17-8-12-19-13-9-17/h1-5,15H,6-13H2",C15H22N2O2,,,,,,OXZAQXLHJGERIN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.541,229-195-2,6425-41-8,4-cyclohexylmorpholine,4-cyclohexylmorpholine,C1CCC(CC1)N2CCOCC2,C1CCC(CC1)N2CCOCC2,"InChI=1/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2",C10H19NO,,,,,,BRKHZWFIIVVNTA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.545,229-199-4,6427-86-7,Cadmium dipalmitate,cadmium dihexadecanoate,[Cd+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Cd,,,,,,DNLGWCVZSDBXAH-UHFFFAOYSA-L,,,,,,,,,,,
100.026.548,229-202-9,6428-00-8,"Diethyl hydrogen phosphate, compound with N,N-dimethyldodecylamine (1:1)","diethyl hydrogen phosphate - N,N-dimethyldodecan-1-amine (1:1)",CCCCCCCCCCCCN(C)C.CCOP(=O)(O)OCC,CCCCCCCCCCCCN(C)C.CCOP(=O)(O)OCC,"InChI=1/C14H31N.C4H11O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-3-7-9(5,6)8-4-2/h4-14H2,1-3H3;3-4H2,1-2H3,(H,5,6)",C14H31N.C4H11O4P,,,,,,OPWRMKRLIONGIV-UHFFFAOYSA-N,,,,,,,,,,,
100.029.712,232-696-9,9007-28-7,"Chondroitin, hydrogen sulfate",2-(carboxyamino)-2-deoxy-3-O-beta-D-glucopyranuronosyl-4-O-sulfo-alpha-L-arabino-hexopyranose,OCC1O[C@@H](O)[C@H](NC(=O)O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)[C@H]1OS(=O)(=O)O,OCC1O[C@@H](O)[C@H](NC(=O)O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)[C@H]1OS(=O)(=O)O,"InChI=1/C13H21NO16S/c15-1-2-7(30-31(24,25)26)8(3(11(21)27-2)14-13(22)23)28-12-6(18)4(16)5(17)9(29-12)10(19)20/h2-9,11-12,14-18,21H,1H2,(H,19,20)(H,22,23)(H,24,25,26)",-,,,,,,SVZISYZJNFXEQQ-YLBYYDEWSA-N,,,,,,,,,,,
100.028.635,231-497-4,7588-36-5,Methyl 5-methoxy-2-methyl-1H-indole-3-acetate,methyl (5-methoxy-2-methyl-1H-indol-3-yl)acetate,COC(=O)Cc1c(C)[nH]c2ccc(OC)cc12,COC(=O)Cc1c(C)[nH]c2ccc(OC)cc12,"InChI=1/C13H15NO3/c1-8-10(7-13(15)17-3)11-6-9(16-2)4-5-12(11)14-8/h4-6,14H,7H2,1-3H3",C13H15NO3,,,,,,JYUNCKSXPPDNRM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.501,218-150-2,2055-00-7,"1,2-ethanediyl dimethyl phthalate","2,2'-ethane-1,2-diyl dimethyl diphthalate",COC(=O)c1ccccc1C(=O)OCCOC(=O)c2ccccc2C(=O)OC,COC(=O)c1ccccc1C(=O)OCCOC(=O)c2ccccc2C(=O)OC,"InChI=1/C20H18O8/c1-25-17(21)13-7-3-5-9-15(13)19(23)27-11-12-28-20(24)16-10-6-4-8-14(16)18(22)26-2/h3-10H,11-12H2,1-2H3",C20H18O8,,,,,,VMTRIKRTABFUOS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.507,218-157-0,2057-43-4,2-(3-pentenyl)pyridine,2-pent-3-en-1-ylpyridine,CC=CCCc1ccccn1,CC=CCCc1ccccn1,"InChI=1/C10H13N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-3,5-6,8-9H,4,7H2,1H3",C10H13N,,,,,,SKHYVKHUYKQNJE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.508,218-158-6,2057-47-8,4-[3-phenyl-1-(2-phenylethyl)propyl]pyridine,4-[3-phenyl-1-(2-phenylethyl)propyl]pyridine,C(Cc1ccccc1)C(CCc2ccccc2)c3ccncc3,C(Cc1ccccc1)C(CCc2ccccc2)c3ccncc3,"InChI=1/C22H23N/c1-3-7-19(8-4-1)11-13-21(22-15-17-23-18-16-22)14-12-20-9-5-2-6-10-20/h1-10,15-18,21H,11-14H2",C22H23N,,,,,,RWNXMNLTEMDVIG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.512,218-162-8,2058-52-8,Clotiapine,"2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine",CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24,CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24,"InChI=1/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",C18H18ClN3S,,,,,,KAAZGXDPUNNEFN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.514,218-164-9,2058-74-4,"1-methyl-2,3-dihydroindole-2,3-dione","1-methyl-1H-indole-2,3-dione",CN1C(=O)C(=O)c2ccccc12,CN1C(=O)C(=O)c2ccccc12,"InChI=1/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3",C9H7NO2,,,,,,VCYBVWFTGAZHGH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.521,218-172-2,2062-84-2,Benperidol,"1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one",Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34,Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34,"InChI=1/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)",C22H24FN3O2,,,,,,FEBOTPHFXYHVPL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.523,218-174-3,2064-80-4,Dioctyl azelate,dioctyl azelaate,CCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC,"InChI=1/C25H48O4/c1-3-5-7-9-14-18-22-28-24(26)20-16-12-11-13-17-21-25(27)29-23-19-15-10-8-6-4-2/h3-23H2,1-2H3",C25H48O4,,,,,,XWVQUJDBOICHGH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.525,218-176-4,2065-23-8,Methyl phenoxyacetate,methyl phenoxyacetate,COC(=O)COc1ccccc1,COC(=O)COc1ccccc1,"InChI=1/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C9H10O3,,,,,,BZCKRPHEZOHHBK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.067,216-573-7,1617-32-9,(E)-pent-3-en-1-oic acid,pent-3-enoic acid,C\\C=C\\CC(=O)O,C\C=C\CC(=O)O,"InChI=1/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)",C5H8O2,,,,,,UIUWNILCHFBLEQ-NSCUHMNNSA-N,,,,,,,,,,,
100.015.073,216-580-5,1619-56-3,Ethyl 2-cyano-2-ethylbutyrate,ethyl 2-cyano-2-ethylbutanoate,CCOC(=O)C(CC)(CC)C#N,CCOC(=O)C(CC)(CC)C#N,"InChI=1/C9H15NO2/c1-4-9(5-2,7-10)8(11)12-6-3/h4-6H2,1-3H3",C9H15NO2,,,,,,MYPRYLUIKAKSET-UHFFFAOYSA-N,,,,,,,,,,,
100.015.074,216-581-0,1619-57-4,"Ethyl 2,2-diethylacetoacetate","ethyl 2,2-diethyl-3-oxobutanoate",CCOC(=O)C(CC)(CC)C(=O)C,CCOC(=O)C(CC)(CC)C(=O)C,"InChI=1/C10H18O3/c1-5-10(6-2,8(4)11)9(12)13-7-3/h5-7H2,1-4H3",C10H18O3,,,,,,WEIQRLLXVVSKIL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.079,216-586-8,1620-53-7,1-phenyl-2-(pyridin-2-yl)ethan-1-one,1-phenyl-2-pyridin-2-ylethanone,O=C(Cc1ccccn1)c2ccccc2,O=C(Cc1ccccn1)c2ccccc2,"InChI=1/C13H11NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-9H,10H2",C13H11NO,,,,,,CMOXTMGJZNCXEI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.081,216-588-9,1620-75-3,6-methylpyridine-2-carbonitrile,6-methylpyridine-2-carbonitrile,Cc1cccc(n1)C#N,Cc1cccc(n1)C#N,"InChI=1/C7H6N2/c1-6-3-2-4-7(5-8)9-6/h2-4H,1H3",C7H6N2,,,,,,CMADFEQMYFNYCF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.085,216-593-6,1621-32-5,Ethyl 1-(p-methylbenzyl)cyclopropanecarboxylate,ethyl 1-(4-methylbenzyl)cyclopropanecarboxylate,CCOC(=O)C1(Cc2ccc(C)cc2)CC1,CCOC(=O)C1(Cc2ccc(C)cc2)CC1,"InChI=1/C14H18O2/c1-3-16-13(15)14(8-9-14)10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3",C14H18O2,,,,,,CMPPICYVULJWRY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.087,216-595-7,1622-54-4,2-[2-(2-thienyl)ethyl]benzoic acid,2-[2-(2-thienyl)ethyl]benzoic acid,OC(=O)c1ccccc1CCc2cccs2,OC(=O)c1ccccc1CCc2cccs2,"InChI=1/C13H12O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-6,9H,7-8H2,(H,14,15)",C13H12O2S,,,,,,BYSDXOIAAYZTBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.093,216-601-8,1623-06-9,Propyl dihydrogen phosphate,propyl dihydrogen phosphate,CCCOP(=O)(O)O,CCCOP(=O)(O)O,"InChI=1/C3H9O4P/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H2,4,5,6)",C3H9O4P,,,,,,MHZDONKZSXBOGL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.095,216-603-9,1623-14-9,Ethyl dihydrogen phosphate,ethyl dihydrogen phosphate,CCOP(=O)(O)O,CCOP(=O)(O)O,"InChI=1/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)",C2H7O4P,,,,,,ZJXZSIYSNXKHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.098,216-607-0,1623-24-1,Isopropyl dihydrogen phosphate,isopropyl dihydrogen phosphate,CC(C)OP(O)(=O)O,CC(C)OP(O)(=O)O,"InChI=1/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)",C3H9O4P,,,,,,QPPQHRDVPBTVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.256,214-582-0,1155-40-4,"4-(4-hydroxyphenoxy)-3,5-diiodophenylacetic acid","[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetic acid",OC(=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1,OC(=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1,"InChI=1/C14H10I2O4/c15-11-5-8(7-13(18)19)6-12(16)14(11)20-10-3-1-9(17)2-4-10/h1-6,17H,7H2,(H,18,19)",C14H10I2O4,,,,,,KKJBNMLZBHFYAE-UHFFFAOYSA-N,,,,,,,,,,,
100.013.257,214-583-6,1155-56-2,1-benzyl-N-phenylpiperidin-4-amine,1-benzyl-N-phenylpiperidin-4-amine,C(N1CCC(CC1)Nc2ccccc2)c3ccccc3,C(N1CCC(CC1)Nc2ccccc2)c3ccccc3,"InChI=1/C18H22N2/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2",C18H22N2,,,,,,FSXGJIFBTBJMHV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.258,214-584-1,1155-62-0,N-benzyloxycarbonyl-L-glutamic acid,N-[(benzyloxy)carbonyl]-L-glutamic acid,OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O,OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C13H15NO6/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)",C13H15NO6,,,,,,PVFCXMDXBIEMQG-JTQLQIEISA-N,,,,,,,,,,,
100.013.260,214-586-2,1155-74-4,1-tetradecylpyridinium bromide,1-tetradecylpyridinium bromide,[Br-].CCCCCCCCCCCCCC[n+]1ccccc1,[Br-].CCCCCCCCCCCCCC[n+]1ccccc1,"InChI=1/C19H34N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1",C19H34N.Br,,,,,,HJNAJKBRYDFICV-UHFFFAOYSA-M,,,,,,,,,,,
100.013.262,214-588-3,1156-19-0,Tolazamide,N-(azepan-1-ylcarbamoyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,"InChI=1/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)",C14H21N3O3S,,,,,,OUDSBRTVNLOZBN-UHFFFAOYSA-N,,,,,,,,,,,
100.013.263,214-589-9,1156-50-9,Bis(4-nitrophenyl) sulphone,"1,1'-sulfonylbis(4-nitrobenzene)",[O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C12H8N2O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H",C12H8N2O6S,,,,,,BVHNGWRPAFKGFP-UHFFFAOYSA-N,,,,,,,,,,,
100.013.265,214-592-5,1156-64-5,"Diethyl 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate","diethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate",CCCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC,CCCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC,"InChI=1/C16H25NO4/c1-6-9-12-13(15(18)20-7-2)10(4)17-11(5)14(12)16(19)21-8-3/h12,17H,6-9H2,1-5H3",C16H25NO4,,,,,,LWTBKXCBXFZYDR-UHFFFAOYSA-N,,,,,,,,,,,
100.013.266,214-593-0,1158-17-4,o-nitrophenyl 1-thio-ß-D-galactopyranoside,2-nitrophenyl 1-thio-beta-D-galactopyranoside,OC[C@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H15NO7S/c14-5-7-9(15)10(16)11(17)12(20-7)21-8-4-2-1-3-6(8)13(18)19/h1-4,7,9-12,14-17H,5H2",C12H15NO7S,,,,,,SZAOZNVCHHBUDZ-RUXWNWLUSA-N,,,,,,,,,,,
100.013.268,214-595-1,1159-53-1,"N,N-di-p-tolyl-p-toluidine","4-methyl-N,N-bis(4-methylphenyl)aniline",Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(C)cc3,Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(C)cc3,"InChI=1/C21H21N/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3",C21H21N,,,,,,YXYUIABODWXVIK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.271,214-598-8,1160-54-9,1-[N-[(phenylmethoxy)carbonyl]glycyl]-L-proline,N-[(benzyloxy)carbonyl]glycyl-L-proline,OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2,OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2,"InChI=1/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)",C15H18N2O5,,,,,,ZTUKZKYDJMGJDC-LBPRGKRZSA-N,,,,,,,,,,,
100.013.276,214-603-3,1162-65-8,"2,3,6aa,9aa-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione","4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14,COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14,"InChI=1/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3",C17H12O6,,,,,,OQIQSTLJSLGHID-UHFFFAOYSA-N,,,,,,,,,,,
100.013.282,214-610-1,1164-38-1,2-benziloyloxyethylethyldimethylammonium chloride,"N-ethyl-2-[2-hydroxy(diphenyl)acetoxy]-N,N-dimethylethanaminium chloride",[Cl-].CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,[Cl-].CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C20H26NO3.ClH/c1-4-21(2,3)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,4,15-16H2,1-3H3;1H/q+1;/p-1",C20H26NO3.Cl,,,,,,TVCAZGSWNBZVJN-UHFFFAOYSA-M,,,,,,,,,,,
100.013.284,214-612-2,1164-95-0,Androsterone acetate,17-oxoandrostan-3-yl acetate,CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)C1,CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)C1,"InChI=1/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3",C21H32O3,,,,,,FDCINQSOYQUNKB-XVYLQWLCSA-N,,,,,,,,,,,
100.013.288,214-616-4,1165-48-6,Dimefline,8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-4H-chromen-4-one,COc1ccc2C(=O)C(=C(Oc2c1CN(C)C)c3ccccc3)C,COc1ccc2C(=O)C(=C(Oc2c1CN(C)C)c3ccccc3)C,"InChI=1/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3",C20H21NO3,,,,,,ZXFQRFXLFWWKLX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.501,221-451-1,3099-30-7,6-chloromethyl-2-methylpyridinium chloride,2-(chloromethyl)-6-methylpyridinium chloride,[Cl-].Cc1cccc(CCl)[nH+]1,[Cl-].Cc1cccc(CCl)[nH+]1,"InChI=1/C7H8ClN.ClH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5H2,1H3;1H",C7H8ClN.ClH,,,,,,QFLPSIUFCCCRMI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.502,221-452-7,3099-52-3,Nicametate,2-(diethylamino)ethyl nicotinate,CCN(CC)CCOC(=O)c1cccnc1,CCN(CC)CCOC(=O)c1cccnc1,"InChI=1/C12H18N2O2/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11/h5-7,10H,3-4,8-9H2,1-2H3",C12H18N2O2,,,,,,JVWOCHRRAWHKLT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.503,221-453-2,3101-60-8,"p-tert-butylphenyl 1-(2,3-epoxy)propyl ether",2-[(4-tert-butylphenoxy)methyl]oxirane,CC(C)(C)c1ccc(OCC2CO2)cc1,CC(C)(C)c1ccc(OCC2CO2)cc1,"InChI=1/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3",C13H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10438,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.503,HHRACYLRBOUBKM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.506,221-456-9,3102-70-3,"2,4,6-trimethylbenzene-1,3-diamine","2,4,6-trimethylbenzene-1,3-diamine",Cc1cc(C)c(N)c(C)c1N,Cc1cc(C)c(N)c(C)c1N,"InChI=1/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3",C9H14N2,,,,,,ZVDSMYGTJDFNHN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.509,221-460-0,3105-51-9,"Malic acid, sodium salt",sodium 3-carboxy-2-hydroxypropanoate,[Na+].OC(CC(=O)O)C(=O)[O-],[Na+].OC(CC(=O)O)C(=O)[O-],"InChI=1/C4H6O5.Na/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+1/p-1",C4H6O5.xNa,,,,,,DOJOZCIMYABYPO-UHFFFAOYSA-M,,,,,,,,,,,
100.019.517,221-468-4,3108-24-5,Ethyl perfluorooctanoate,ethyl pentadecafluorooctanoate,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H5F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3",C10H5F15O2,,,,,,JTOFFHFAQBLPTM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.519,221-471-0,3109-35-1,N-[o-(o-fluorobenzoyl)phenyl]-p-toluenesulphonamide,N-[2-(2-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)c3ccccc3F,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)c3ccccc3F,"InChI=1/C20H16FNO3S/c1-14-10-12-15(13-11-14)26(24,25)22-19-9-5-3-7-17(19)20(23)16-6-2-4-8-18(16)21/h2-13,22H,1H3",C20H16FNO3S,,,,,,ZNDPAUWIWUGTNC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.524,221-476-8,3112-85-4,(methylsulphonyl)benzene,(methylsulfonyl)benzene,CS(=O)(=O)c1ccccc1,CS(=O)(=O)c1ccccc1,"InChI=1/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3",C7H8O2S,,,,,,JCDWETOKTFWTHA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.535,218-187-4,2/02/2068,"2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-benzopyrone","2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one",COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(O)c(O)c3,COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(O)c(O)c3,"InChI=1/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3",C17H14O7,,,,,,LUJAXSNNYBCFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.536,218-189-5,2068-24-8,"2,2'-[methylenebis(thio)]bisacetic acid","2,2'-(methylenedisulfanediyl)diacetic acid",OC(=O)CSCSCC(=O)O,OC(=O)CSCSCC(=O)O,"InChI=1/C5H8O4S2/c6-4(7)1-10-3-11-2-5(8)9/h1-3H2,(H,6,7)(H,8,9)",C5H8O4S2,,,,,,CZEVAMMETWVBOD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.537,218-190-0,2068-78-2,Vincristine sulphate,22-oxovincaleukoblastine sulfate,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O,"InChI=1/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)",C46H56N4O10.H2O4S,,,,,,AQTQHPDCURKLKT-JKDPCDLQSA-N,,,,,,,,,,,
100.016.538,218-191-6,2068-80-6,Magnesium dihydrogen di-L-aspartate,magnesium bis(3-amino-3-carboxypropanoate),NC(CC(=O)O[Mg]OC(=O)CC(N)C(=O)O)C(=O)O,NC(CC(=O)O[Mg]OC(=O)CC(N)C(=O)O)C(=O)O,"InChI=1/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2",C4H7NO4.1/2Mg,,,,,,RXMQCXCANMAVIO-UHFFFAOYSA-L,,,,,,,,,,,
100.016.547,218-201-9,2077-14-7,"3,4-dichlorocumene","1,2-dichloro-4-isopropylbenzene",CC(C)c1ccc(Cl)c(Cl)c1,CC(C)c1ccc(Cl)c(Cl)c1,"InChI=1/C9H10Cl2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,1-2H3",C9H10Cl2,,,,,,DQZUIRYHGMGWFY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.549,218-204-5,8/12/2078,Trimethylsilyl benzoate,trimethylsilyl benzoate,C[Si](C)(C)OC(=O)c1ccccc1,C[Si](C)(C)OC(=O)c1ccccc1,"InChI=1/C10H14O2Si/c1-13(2,3)12-10(11)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14O2Si,,,,,,VFFKJOXNCSJSAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.550,218-205-0,2078-42-4,"Sodium 2,3,6-trichlorobenzoate","sodium 2,3,6-trichlorobenzoate",[Na+].[O-]C(=O)c1c(Cl)ccc(Cl)c1Cl,[Na+].[O-]C(=O)c1c(Cl)ccc(Cl)c1Cl,"InChI=1/C7H3Cl3O2.Na/c8-3-1-2-4(9)6(10)5(3)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1",C7H3Cl3O2.Na,,,,,,DPMABEYFRYKAHD-UHFFFAOYSA-M,,,,,,,,,,,
100.016.554,218-209-2,2079-95-0,Tetradecane-1-thiol,tetradecane-1-thiol,CCCCCCCCCCCCCCS,CCCCCCCCCCCCCCS,"InChI=1/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",C14H30S,,,,,,GEKDEMKPCKTKEC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.637,231-500-9,7597-18-4,6-nitroindazole,6-nitro-2H-indazole,[O-][N+](=O)c1ccc2c[nH]nc2c1,[O-][N+](=O)c1ccc2c[nH]nc2c1,"InChI=1/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)",C7H5N3O2,,,,,,ORZRMRUXSPNQQL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.638,231-501-4,7597-60-6,"6-amino-5-formamido-1,3-dimethyluracil","N-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamide",CN1C(=C(NC=O)C(=O)N(C)C1=O)N,CN1C(=C(NC=O)C(=O)N(C)C1=O)N,"InChI=1/C7H10N4O3/c1-10-5(8)4(9-3-12)6(13)11(2)7(10)14/h3H,8H2,1-2H3,(H,9,12)",C7H10N4O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7357,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.638,ZNDGAXCBZGSJGU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.640,231-504-0,7598-61-0,"Diethyl (2,2-diethoxyethyl)phosphonate","diethyl (2,2-diethoxyethyl)phosphonate",CCOC(CP(=O)(OCC)OCC)OCC,CCOC(CP(=O)(OCC)OCC)OCC,"InChI=1/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3",C10H23O5P,,,,,,LUQYELQXRPNKRY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.652,231-517-1,7605-54-1,Methyl trans-2-methylcyclohexanecarboxylate,methyl 2-methylcyclohexanecarboxylate,COC(=O)[C@H]1CCCC[C@@H]1C,COC(=O)[C@H]1CCCC[C@@H]1C,"InChI=1/C9H16O2/c1-7-5-3-4-6-8(7)9(10)11-2/h7-8H,3-6H2,1-2H3",C9H16O2,,,,,,OKLPIZJSDADMHA-YUMQZZPRSA-N,,,,,,,,,,,
100.028.662,231-528-1,7617-74-5,Laurixamine,3-(dodecyloxy)propan-1-amine,CCCCCCCCCCCCOCCCN,CCCCCCCCCCCCOCCCN,"InChI=1/C15H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-16H2,1H3",C15H33NO,,,,,,ZRJOUVOXPWNFOF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.667,231-533-9,7620-71-5,"N,N,N-triethylanilinium hydroxide","N,N,N-triethylanilinium hydroxide",[OH-].CC[N+](CC)(CC)c1ccccc1,[OH-].CC[N+](CC)(CC)c1ccccc1,"InChI=1/C12H20N.H2O/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H2/q+1;/p-1",C12H20N.HO,,,,,,GPHXJBZAVNFMKX-UHFFFAOYSA-M,,,,,,,,,,,
100.026.568,229-224-9,6441-73-2,"3,6-diamino-2,7,10-trimethylacridinium chloride","3,6-diamino-2,7,10-trimethylacridinium chloride",[Cl-].Cc1cc2cc3cc(C)c(N)cc3[n+](C)c2cc1N,[Cl-].Cc1cc2cc3cc(C)c(N)cc3[n+](C)c2cc1N,"InChI=1/C16H17N3.ClH/c1-9-4-11-6-12-5-10(2)14(18)8-16(12)19(3)15(11)7-13(9)17;/h4-8H,1-3H3,(H3,17,18);1H",C16H18N3.Cl,,,,,,ADAOOVVYDLASGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.575,229-232-2,6441-94-7,"Disodium 4-hydroxy-3-[(4-nitrophenyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate","disodium 4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C23H18N4O11S3.2Na/c1-13-2-8-17(9-3-13)39(31,32)26-19-12-18(40(33,34)35)10-14-11-20(41(36,37)38)22(23(28)21(14)19)25-24-15-4-6-16(7-5-15)27(29)30;;/h2-12,26,28H,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C23H18N4O11S3.2Na,,,,,,KCFUJWVLRDYRAK-UHFFFAOYSA-L,,,,,,,,,,,
100.026.577,229-234-3,6441-98-1,"Sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzenesulphonate","sodium 4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)cc3,[Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)cc3,"InChI=1/C16H14N4O5S.Na/c1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;/h2-9,15,21H,1H3,(H,23,24,25);/q;+1/p-1",C16H14N4O5S.Na,,,,,,NGDUADGCPAWJIG-UHFFFAOYSA-M,,,,,,,,,,,
100.026.582,229-240-6,6443-72-7,"3-(3,4-dimethoxyphenyl)acrylonitrile","3-(3,4-dimethoxyphenyl)acrylonitrile",COc1ccc(\\C=C\\C#N)cc1OC,COc1ccc(\C=C\C#N)cc1OC,"InChI=1/C11H11NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8H,1-2H3",C11H11NO2,,,,,,WGPTVEZJYRFEGT-ONEGZZNKSA-N,,,,,,,,,,,
100.026.583,229-241-1,6443-85-2,3-pyridylacetonitrile,pyridin-3-ylacetonitrile,N#CCc1cccnc1,N#CCc1cccnc1,"InChI=1/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2",C7H6N2,,,,,,OIPHWUPMXHQWLR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.591,229-250-0,6449-35-0,"Disodium 3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate","disodium 3-({4'-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-1-sulfonate",[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(N)ccc1c2O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(N)ccc1c2O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H27N5O10S2.2Na/c1-48-28-14-18(7-11-25(28)36-38-27-17-30(50(42,43)44)23-5-3-4-6-24(23)33(27)40)19-8-12-26(29(15-19)49-2)37-39-32-31(51(45,46)47)16-20-13-21(35)9-10-22(20)34(32)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C34H27N5O10S2.2Na,,,,,,PHBXSOKXCTZJBO-UHFFFAOYSA-L,,,,,,,,,,,
100.026.595,229-254-2,6452-49-9,1-chloro-3-phenoxybenzene,1-chloro-3-phenoxybenzene,Clc1cccc(Oc2ccccc2)c1,Clc1cccc(Oc2ccccc2)c1,InChI=1/C12H9ClO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,C12H9ClO,,,,,,BMURONZFJJPAOK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.101,216-610-7,1623-95-6,4-phenoxybenzoyl chloride,4-phenoxybenzoyl chloride,ClC(=O)c1ccc(Oc2ccccc2)cc1,ClC(=O)c1ccc(Oc2ccccc2)cc1,InChI=1/C13H9ClO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,C13H9ClO2,,,,,,AOOZVQGGMFGGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.107,216-617-5,1626-24-0,Triphenylgermanium chloride,triphenylgermanylium chloride,[Cl-].c1ccc(cc1)[Ge+](c2ccccc2)c3ccccc3,[Cl-].c1ccc(cc1)[Ge+](c2ccccc2)c3ccccc3,InChI=1/C18H15Ge.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1,C18H15ClGe,,,,,,JZXPCVSEXMGFPG-UHFFFAOYSA-M,,,,,,,,,,,
100.015.109,216-619-6,1627-95-8,2-(triethoxysilyl)butyronitrile,2-(triethoxysilyl)butanenitrile,CCO[Si](OCC)(OCC)C(CC)C#N,CCO[Si](OCC)(OCC)C(CC)C#N,"InChI=1/C10H21NO3Si/c1-5-10(9-11)15(12-6-2,13-7-3)14-8-4/h10H,5-8H2,1-4H3",C10H21NO3Si,,,,,,RDNFTJRPCZDKHN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.112,216-622-2,1628-58-6,"4-[2-(2-benzothiazol-2-yl)vinyl]-N,N-dimethylaniline","4-[2-(1,3-benzothiazol-2-yl)vinyl]-N,N-dimethylaniline",CN(C)c1ccc(C=Cc2nc3ccccc3s2)cc1,CN(C)c1ccc(C=Cc2nc3ccccc3s2)cc1,"InChI=1/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3",C17H16N2S,,,,,,MVMOMSLTZMMLJR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.114,223-224-2,3774-54-7,m-cresol thiocyanate,4-hydroxy-2-methylphenyl thiocyanate,N#CSc1ccc(O)cc1C,N#CSc1ccc(O)cc1C,"InChI=1/C8H7NOS/c1-6-4-7(10)2-3-8(6)11-5-9/h2-4,10H,1H3",C8H7NOS,,,,,,AKBUQNBHFALNTI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.118,223-228-4,3775-90-4,2-tert-butylaminoethyl methacrylate,2-(tert-butylamino)ethyl methacrylate,CC(=C)C(=O)OCCNC(C)(C)C,CC(=C)C(=O)OCCNC(C)(C)C,"InChI=1/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3",C10H19NO2,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7068,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.118,BEWCNXNIQCLWHP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.124,223-235-2,3777-70-6,2-hexylfuran,2-hexylfuran,CCCCCCc1occc1,CCCCCCc1occc1,"InChI=1/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3",C10H16O,,,,,,XBLCAKKYMZVLPU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.126,217-738-6,1943-96-0,"4,4'-bicyclo[2.2.1]hept-2-ylidenebisphenol","4,4'-bicyclo[2.2.1]heptane-2,2-diyldiphenol",Oc1ccc(cc1)C2(CC3CCC2C3)c4ccc(O)cc4,Oc1ccc(cc1)C2(CC3CCC2C3)c4ccc(O)cc4,"InChI=1/C19H20O2/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h3-10,13,16,20-21H,1-2,11-12H2",C19H20O2,,,,,,RBWZNZOIVJUVRB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.132,217-744-9,1945-78-4,"2,2'-methylenedibenzothiazole","2,2'-methylenebis(1,3-benzothiazole)",C(c1nc2ccccc2s1)c3nc4ccccc4s3,C(c1nc2ccccc2s1)c3nc4ccccc4s3,"InChI=1/C15H10N2S2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2",C15H10N2S2,,,,,,ZRXNLCFJIKBZCA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.139,217-752-2,1948-33-0,2-tert-butylhydroquinone,"2-tert-butylbenzene-1,4-diol",CC(C)(C)c1cc(O)ccc1O,CC(C)(C)c1cc(O)ccc1O,"InChI=1/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3",C10H14O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5612,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.139,BGNXCDMCOKJUMV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.140,217-753-8,1948-39-6,"4-hydroxy-3,5-diiodophenylacetic acid","(4-hydroxy-3,5-diiodophenyl)acetic acid",OC(=O)Cc1cc(I)c(O)c(I)c1,OC(=O)Cc1cc(I)c(O)c(I)c1,"InChI=1/C8H6I2O3/c9-5-1-4(3-7(11)12)2-6(10)8(5)13/h1-2,13H,3H2,(H,11,12)",C8H6I2O3,,,,,,IGWIPEUDVOXYDO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.152,217-766-9,1950-15-8,"Sodium 5-benzyl-6-thioxodihydro-2H-1,3,5-thiadiazine-3(4H)-acetate","sodium (5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetate",[Na+].[O-]C(=O)CN1CSC(=S)N(Cc2ccccc2)C1,[Na+].[O-]C(=O)CN1CSC(=S)N(Cc2ccccc2)C1,"InChI=1/C12H14N2O2S2.Na/c15-11(16)7-13-8-14(12(17)18-9-13)6-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H,15,16);/q;+1/p-1",C12H14N2O2S2.Na,,,,,,YEOVSRMZSRGQNK-UHFFFAOYSA-M,,,,,,,,,,,
100.016.154,217-769-5,1950-68-1,p-methoxybenzenesulphonyl hydrazide,4-methoxybenzenesulfonohydrazide,COc1ccc(cc1)S(=O)(=O)NN,COc1ccc(cc1)S(=O)(=O)NN,"InChI=1/C7H10N2O3S/c1-12-6-2-4-7(5-3-6)13(10,11)9-8/h2-5,9H,8H2,1H3",C7H10N2O3S,,,,,,UIWFWZLAICURGT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.156,217-771-6,8/12/1951,3-chlorobutyric acid,3-chlorobutanoic acid,CC(Cl)CC(=O)O,CC(Cl)CC(=O)O,"InChI=1/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)",C4H7ClO2,,,,,,XEEMVPPCXNTVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.979,219-776-9,2529-45-5,Flugestone 17-acetate,"9-fluoro-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate",CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C)C(=O)C,CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C)C(=O)C,"InChI=1/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3",C23H31FO5,,,,,,JKQQZJHNUVDHKP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.986,219-784-2,2530-83-8,"[3-(2,3-epoxypropoxy)propyl]trimethoxysilane",trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane,CO[Si](CCCOCC1CO1)(OC)OC,CO[Si](CCCOCC1CO1)(OC)OC,"InChI=1/C9H20O5Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3",C9H20O5Si,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14972,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.986,BPSIOYPQMFLKFR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.867,226-253-9,5334-43-0,5-amino-1-phenyl-1H-pyrazole-4-carbonitrile,5-amino-1-phenyl-1H-pyrazole-4-carbonitrile,Nc1c(cnn1c2ccccc2)C#N,Nc1c(cnn1c2ccccc2)C#N,"InChI=1/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2",C10H8N4,,,,,,MAKQREKUUHPPIS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.868,226-254-4,7/05/5335,Chloromethyl benzoate,chloromethyl benzoate,ClCOC(=O)c1ccccc1,ClCOC(=O)c1ccccc1,"InChI=1/C8H7ClO2/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5H,6H2",C8H7ClO2,,,,,,BOXZXICVMMSYPE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.870,226-257-0,5336-57-2,2-ethyl-2-phenylbutyronitrile,2-ethyl-2-phenylbutanenitrile,CCC(CC)(C#N)c1ccccc1,CCC(CC)(C#N)c1ccccc1,"InChI=1/C12H15N/c1-3-12(4-2,10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3",C12H15N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10583,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.870,NIWOFSGCBJZYJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.507,228-057-9,6104-56-9,"Trisodium 7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoyl]amino]-o-tolyl]azo]naphthalene-1,3-disulphonate","trisodium 7-[(4-{[4-({6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)benzoyl]amino}-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc3ccc(cc3C)NC(=O)c4ccc(cc4)N=Nc6c(cc5cc(ccc5c6O)NC(=O)c7ccc(N)cc7)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc3ccc(cc3C)NC(=O)c4ccc(cc4)N=Nc6c(cc5cc(ccc5c6O)NC(=O)c7ccc(N)cc7)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C41H31N7O12S3.3Na/c1-22-16-29(13-15-35(22)47-46-31-11-6-25-18-32(61(52,53)54)21-36(34(25)20-31)62(55,56)57)43-41(51)24-4-9-28(10-5-24)45-48-38-37(63(58,59)60)19-26-17-30(12-14-33(26)39(38)49)44-40(50)23-2-7-27(42)8-3-23;;;/h2-21,49H,42H2,1H3,(H,43,51)(H,44,50)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3",C41H31N7O12S3.3Na,,,,,,DZSJSWXRTVFCNO-UHFFFAOYSA-K,,,,,,,,,,,
100.025.510,228-061-0,6105-72-2,"N,N,2-trimethylpropane-1,3-diamine","N,N,2-trimethylpropane-1,3-diamine",CC(CN)CN(C)C,CC(CN)CN(C)C,"InChI=1/C6H16N2/c1-6(4-7)5-8(2)3/h6H,4-5,7H2,1-3H3",C6H16N2,,,,,,DAMJSIMZZSEQRD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.519,228-071-5,6109-70-2,Quinuclidin-3-yl acetate hydrochloride,1-azabicyclo[2.2.2]oct-3-yl acetate hydrochloride,Cl.CC(=O)OC1CN2CCC1CC2,Cl.CC(=O)OC1CN2CCC1CC2,"InChI=1/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;/h8-9H,2-6H2,1H3;1H",C9H15NO2.ClH,,,,,,LWWSARSTZGNKGV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.520,228-072-0,6109-97-3,(9-ethyl-9H-carbazol-3-yl)ammonium chloride,9-ethyl-9H-carbazol-3-aminium chloride,[Cl-].CCn1c2ccccc2c3cc([NH3+])ccc13,[Cl-].CCn1c2ccccc2c3cc([NH3+])ccc13,"InChI=1/C14H14N2.ClH/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16;/h3-9H,2,15H2,1H3;1H",C14H14N2.ClH,,,,,,UUYSTZWIFZYHRM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.525,228-077-8,8/04/6113,[2-(diphenylacetoxy)ethyl]diethylmethylammonium bromide,"2-(2,2-diphenylacetoxy)-N,N-diethyl-N-methylethanaminium bromide",[Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c2ccccc2,[Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C21H28NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1",C21H28NO2.Br,,,,,,WMUOPJLADBOCIX-UHFFFAOYSA-M,,,,,,,,,,,
100.025.526,228-078-3,3/09/6113,(1R-trans)-octahydro-1-(hydroxymethyl)-2H-quinolizinium chloride,1-(hydroxymethyl)octahydro-2H-quinolizinium chloride,[Cl-].OC[C@@H]1CCC[NH+]2CCCC[C@H]12,[Cl-].OC[C@@H]1CCC[NH+]2CCCC[C@H]12,"InChI=1/C10H19NO.ClH/c12-8-9-4-3-7-11-6-2-1-5-10(9)11;/h9-10,12H,1-8H2;1H",C10H19NO.ClH,,,,,,ZKXVUMSVQBQBCR-BAUSSPIASA-N,,,,,,,,,,,
100.025.534,228-087-2,6119-53-5,Quinine phosphinate,phosphinic acid - 6'-methoxycinchonan-9-ol (1:1),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OP=O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OP=O,"InChI=1/C20H24N2O2.HO2P/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-3-2/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H,1,2)",C20H24N2O2.H3O2P,,,,,,JWAMXEJYDDQVAR-DSXUQNDKSA-N,,,,,,,,,,,
100.025.535,228-088-8,6119-92-2,"2-(1-methylheptyl)-4,6-dinitrophenyl crotonate","2-(1-methylheptyl)-4,6-dinitrophenyl but-2-enoate",CCCCCCC(C)c1cc(cc(c1OC(=O)\\C=C\\C)[N+](=O)[O-])[N+](=O)[O-],CCCCCCC(C)c1cc(cc(c1OC(=O)\C=C\C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3",C18H24N2O6,,,,,,NIOPZPCMRQGZCE-WEVVVXLNSA-N,,,,,,,,,,,
100.014.070,215-476-7,1327-39-5,"Silicic acid, aluminum calcium salt",-,[Al+3].[Ca+2].[O-][Si](=O)[O-],[Al+3].[Ca+2].[O-][Si](=O)[O-],InChI=1/Al.Ca.O3Si/c;;1-4(2)3/q+3;+2;-2,-,,,,,,JGYARCJVGHOWJV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.071,215-477-2,1327-41-9,"Aluminum chloride, basic",aluminum trichloride,[Al+3].[Cl-].[Cl-].[Cl-],[Al+3].[Cl-].[Cl-].[Cl-],InChI=1/Al.3ClH/h;3*1H/q+3;;;/p-3,-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16009,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.071,VSCWAEJMTAWNJL-UHFFFAOYSA-K,,,,,,,,,,,
100.023.575,225-932-7,8/09/5158,Dimethylsilanedicarbonitrile,dimethylsilanedicarbonitrile,C[Si](C)(C#N)C#N,C[Si](C)(C#N)C#N,"InChI=1/C4H6N2Si/c1-7(2,3-5)4-6/h1-2H3",C4H6N2Si,,,,,,XRRLRPCAMVHBDK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.576,225-933-2,5159-41-1,2-iodobenzylic alcohol,(2-iodophenyl)methanol,OCc1ccccc1I,OCc1ccccc1I,"InChI=1/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2",C7H7IO,,,,,,WZCXOBMFBKSSFA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.569,218-226-5,2084-69-7,"1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethylnaphthalene","1,1,2,4,4,7-hexamethyl-1,2,3,4-tetrahydronaphthalene",CC1CC(C)(C)c2ccc(C)cc2C1(C)C,CC1CC(C)(C)c2ccc(C)cc2C1(C)C,"InChI=1/C16H24/c1-11-7-8-13-14(9-11)16(5,6)12(2)10-15(13,3)4/h7-9,12H,10H2,1-6H3",C16H24,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7692,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.569,JIVANURAWUCQIG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.570,218-227-0,2085-33-8,Aluminium tris(quinolin-8-olate),aluminum triquinolin-8-olate,[Al+3].[O-]c1cccc2cccnc12.[O-]c3cccc4cccnc34.[O-]c5cccc6cccnc56,[Al+3].[O-]c1cccc2cccnc12.[O-]c3cccc4cccnc34.[O-]c5cccc6cccnc56,"InChI=1/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3",C27H18AlN3O3,,,,,,TVIVIEFSHFOWTE-UHFFFAOYSA-K,,,,,,,,,,,
100.016.573,218-230-7,2087-56-1,3-methyl-2-(methylimino)thiazolidin-4-one monohydrochloride,"3-methyl-2-(methylimino)-1,3-thiazolidin-4-one hydrochloride",Cl.O=C1CSC(=NC)N1C,Cl.O=C1CSC(=NC)N1C,"InChI=1/C5H8N2OS.ClH/c1-6-5-7(2)4(8)3-9-5;/h3H2,1-2H3;1H",C5H8N2OS.ClH,,,,,,ZCISRBSBDUVXMI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.114,216-624-3,1629-58-9,Ethyl vinyl ketone,pent-1-en-3-one,CCC(=O)C=C,CCC(=O)C=C,"InChI=1/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3",C5H8O,,,,,,JLIDVCMBCGBIEY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.118,216-629-0,1630-78-0,"(E)-1,2-difluoroethylene","1,2-difluoroethene",F\\C=C\\F,F\C=C\F,InChI=1/C2H2F2/c3-1-2-4/h1-2H,C2H2F2,,,,,,WFLOTYSKFUPZQB-OWOJBTEDSA-N,,,,,,,,,,,
100.015.124,216-635-3,1631-84-1,Dichlorophenylsilane,dichloro(phenyl)silane,Cl[SiH](Cl)c1ccccc1,Cl[SiH](Cl)c1ccccc1,"InChI=1/C6H6Cl2Si/c7-9(8)6-4-2-1-3-5-6/h1-5,9H",C6H6Cl2Si,,,,,,VIRVTHOOZABTPR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.254,216-778-1,1665-59-4,"N,N-diethyl-N'-phenylethylenediamine","N,N-diethyl-N'-phenylethane-1,2-diamine",CCN(CC)CCNc1ccccc1,CCN(CC)CCNc1ccccc1,"InChI=1/C12H20N2/c1-3-14(4-2)11-10-13-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",C12H20N2,,,,,,QUMIGAREEPSVLG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.256,216-780-2,1666-13-3,Diphenyl diselenide,diphenyldiselane,[Se]([Se]c1ccccc1)c2ccccc2,[Se]([Se]c1ccccc1)c2ccccc2,InChI=1/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,C12H10Se2,,,,,,YWWZCHLUQSHMCL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.257,216-781-8,1666-74-6,o-(allyloxy)phenetole,1-(allyloxy)-2-ethoxybenzene,CCOc1ccccc1OCC=C,CCOc1ccccc1OCC=C,"InChI=1/C11H14O2/c1-3-9-13-11-8-6-5-7-10(11)12-4-2/h3,5-8H,1,4,9H2,2H3",C11H14O2,,,,,,UCMXTTKAPKCTNV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.260,216-784-4,1667-10-3,"4,4'-bis(chloromethyl)-1,1'-biphenyl","4,4'-bis(chloromethyl)biphenyl",ClCc1ccc(cc1)c2ccc(CCl)cc2,ClCc1ccc(cc1)c2ccc(CCl)cc2,"InChI=1/C14H12Cl2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2",C14H12Cl2,,,,,,INZDTEICWPZYJM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.264,216-789-1,1668-10-6,Glycinamide hydrochloride,glycinamide hydrochloride,Cl.NCC(=O)N,Cl.NCC(=O)N,"InChI=1/C2H6N2O.ClH/c3-1-2(4)5;/h1,3H2,(H2,4,5);1H",C2H6N2O.ClH,,,,,,WKNMKGVLOWGGOU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.269,216-794-9,1669-86-9,N-[2-(1H-imidazol-4-yl)ethyl]-1H-adenine,N-[2-(1H-imidazol-4-yl)ethyl]-1H-purin-6-amine,C(Cc1c[nH]cn1)Nc2[nH]cnc3ncnc23,C(Cc1c[nH]cn1)Nc2[nH]cnc3ncnc23,"InChI=1/C10H11N7/c1(7-3-11-4-13-7)2-12-9-8-10(15-5-14-8)17-6-16-9/h3-6H,1-2H2,(H,11,13)(H2,12,14,15,16,17)",C10H11N7,,,,,,SOTQBOWAIHEECH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.270,216-795-4,1670-14-0,Benzamidinium chloride,benzenecarboximidamide,NC(=N)c1ccccc1,NC(=N)c1ccccc1,"InChI=1/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)",C7H8N2.ClH,,,,,,PXXJHWLDUBFPOL-UHFFFAOYSA-N,Positive,AU216901|AU216902,[M+H]+,CID10|CID20,121.077:122.0801|121.0767:122.0806:104.0492,Athens_Univ,,,,,
100.015.276,216-803-6,1671-76-7,1-(4-methoxyphenyl)pentan-1-one,1-(4-methoxyphenyl)pentan-1-one,CCCCC(=O)c1ccc(OC)cc1,CCCCC(=O)c1ccc(OC)cc1,"InChI=1/C12H16O2/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10/h6-9H,3-5H2,1-2H3",C12H16O2,,,,,,HNHLNYCFOLMJHR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.286,216-814-6,1674-10-8,"1,2-dimethylcyclohexene","1,2-dimethylcyclohexene",CC1=C(C)CCCC1,CC1=C(C)CCCC1,"InChI=1/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3",C8H14,,,,,,TXNWMICHNKMOBR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.163,217-778-4,2/02/1953,Tiopronin,N-(2-sulfanylpropanoyl)glycine,CC(S)C(=O)NCC(=O)O,CC(S)C(=O)NCC(=O)O,"InChI=1/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)",C5H9NO3S,,,,,,YTGJWQPHMWSCST-UHFFFAOYSA-N,,,,,,,,,,,
100.016.164,217-780-5,4/04/1953,Galantamine hydrobromide,galanthamine hydrobromide,Br.COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24,Br.COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24,"InChI=1/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H",C17H21NO3.BrH,,,,,,QORVDGQLPPAFRS-XPSHAMGMSA-N,,,,,,,,,,,
100.016.169,217-785-2,1954-45-6,4-methyl-DL-tryptophan,4-methyl-L-tryptophan,OC(=O)[C@@H](N)Cc2cnc1cccc(C)c12,OC(=O)[C@@H](N)Cc2cnc1cccc(C)c12,"InChI=1/C12H14N2O2/c1-7-3-2-4-10-11(7)8(6-14-10)5-9(13)12(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16)",C12H14N2O2,,,,,,FPJGLSZLQLNZIW-VIFPVBQESA-N,,,,,,,,,,,
100.016.171,217-787-3,1954-96-7,3-amino-5-[(methylamino)carbonyl]benzoic acid,3-amino-5-(methylcarbamoyl)benzoic acid,CNC(=O)c1cc(N)cc(c1)C(=O)O,CNC(=O)c1cc(N)cc(c1)C(=O)O,"InChI=1/C9H10N2O3/c1-11-8(12)5-2-6(9(13)14)4-7(10)3-5/h2-4H,10H2,1H3,(H,11,12)(H,13,14)",C9H10N2O3,,,,,,SIIWAVHOCVSSKA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.600,229-260-5,6452-73-9,Oxprenolol hydrochloride,1-[2-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol hydrochloride,Cl.CC(C)NCC(O)COc1ccccc1OCC=C,Cl.CC(C)NCC(O)COc1ccccc1OCC=C,"InChI=1/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H",C15H23NO3.ClH,,,,,,COAJXCLTPGGDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.605,229-265-2,6458-13-5,Ethyldimethyl(9-octadecenyl)ammonium bromide,"N-ethyl-N,N-dimethyloctadec-9-en-1-aminium bromide",[Br-].C[N+](C)(CCCCCCCCC=CCCCCCCCC)CC,[Br-].C[N+](C)(CCCCCCCCC=CCCCCCCCC)CC,"InChI=1/C22H46N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;/h13-14H,5-12,15-22H2,1-4H3;1H/q+1;/p-1",C22H46N.Br,,,,,,BFDFJIJWIIIZJB-UHFFFAOYSA-M,,,,,,,,,,,
100.026.607,229-267-3,6459-69-4,"Disodium 3,3'-[cyclohexylidenebis[(2-methoxy-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonate)","disodium 3,3'-{cyclohexane-1,1-diylbis[(2-methoxy-4,1-phenylene)diazene-2,1-diyl]}bis(4,6-dihydroxynaphthalene-2-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c7cc1ccc(O)cc1c(O)c7N=Nc2ccc(cc2OC)C3(CCCCC3)c6cc(OC)c(N=Nc5c(cc4ccc(O)cc4c5O)S([O-])(=O)=O)cc6,[Na+].[Na+].[O-]S(=O)(=O)c7cc1ccc(O)cc1c(O)c7N=Nc2ccc(cc2OC)C3(CCCCC3)c6cc(OC)c(N=Nc5c(cc4ccc(O)cc4c5O)S([O-])(=O)=O)cc6,"InChI=1/C40H36N4O12S2.2Na/c1-55-32-18-24(8-12-30(32)41-43-36-34(57(49,50)51)16-22-6-10-26(45)20-28(22)38(36)47)40(14-4-3-5-15-40)25-9-13-31(33(19-25)56-2)42-44-37-35(58(52,53)54)17-23-7-11-27(46)21-29(23)39(37)48;;/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2",C40H36N4O12S2.2Na,,,,,,XUZHXIHNGUZLPL-UHFFFAOYSA-L,,,,,,,,,,,
100.025.002,227-502-4,5859-00-7,"Disodium 3-hydroxy-4-(phenylazo)naphthalene-2,7-disulphonate","disodium 3-hydroxy-4-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2ccccc2)c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2ccccc2)c3O)S([O-])(=O)=O,"InChI=1/C16H12N2O7S2.2Na/c19-16-14(27(23,24)25)9-10-8-12(26(20,21)22)6-7-13(10)15(16)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H12N2O7S2.2Na,,,,,,DFSHKBOXDAOYFD-UHFFFAOYSA-L,,,,,,,,,,,
100.025.004,227-505-0,5860-35-5,"2-butene-1,1-diyl diacetate","but-2-ene-1,1-diyl diacetate",CC(=O)OC(C=CC)OC(=O)C,CC(=O)OC(C=CC)OC(=O)C,"InChI=1/C8H12O4/c1-4-5-8(11-6(2)9)12-7(3)10/h4-5,8H,1-3H3",C8H12O4,,,,,,YSKRCULMSHXOLA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.020,227-522-3,5870-38-2,"Diethyl 2,5-dihydroxyterephthalate","diethyl 2,5-dihydroxyterephthalate",CCOC(=O)c1cc(O)c(cc1O)C(=O)OCC,CCOC(=O)c1cc(O)c(cc1O)C(=O)OCC,"InChI=1/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3",C12H14O6,,,,,,UQOUOXLHXPHDHF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.026,227-529-1,5873-19-8,"Disodium 7-(acetylamino)-3-[[4-[(4-chloro-2-sulphonatophenyl)azo]-2,5-dimethylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate","disodium 7-acetamido-3-({4-[(4-chloro-2-sulfonatophenyl)diazenyl]-2,5-dimethylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].Clc4cc(c(N=Nc3cc(C)c(N=Nc2c(cc1cc(NC(C)=O)ccc1c2O)S([O-])(=O)=O)cc3C)cc4)S([O-])(=O)=O,[Na+].[Na+].Clc4cc(c(N=Nc3cc(C)c(N=Nc2c(cc1cc(NC(C)=O)ccc1c2O)S([O-])(=O)=O)cc3C)cc4)S([O-])(=O)=O,"InChI=1/C26H22ClN5O8S2.2Na/c1-13-9-22(14(2)8-21(13)30-29-20-7-4-17(27)12-23(20)41(35,36)37)31-32-25-24(42(38,39)40)11-16-10-18(28-15(3)33)5-6-19(16)26(25)34;;/h4-12,34H,1-3H3,(H,28,33)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C26H22ClN5O8S2.2Na,,,,,,HUWGGRICTGXHMF-UHFFFAOYSA-L,,,,,,,,,,,
100.024.626,227-088-5,5649-49-0,"Piperazine-1,4-dipropionic acid","3,3'-piperazine-1,4-diyldipropanoic acid",OC(=O)CCN1CCN(CCC(=O)O)CC1,OC(=O)CCN1CCN(CCC(=O)O)CC1,"InChI=1/C10H18N2O4/c13-9(14)1-3-11-5-7-12(8-6-11)4-2-10(15)16/h1-8H2,(H,13,14)(H,15,16)",C10H18N2O4,,,,,,WCJNJOOLQWJKLU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.639,227-103-5,5656-10-0,"4-[(4-amino-2-sulphophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-[(4-amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)c3cc(N)ccc3N=NC2\\C(=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)C(O)=O,OS(=O)(=O)c3cc(N)ccc3N=NC2\C(=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)C(O)=O,"InChI=1/C16H13N5O9S2/c17-8-1-6-11(12(7-8)32(28,29)30)18-19-13-14(16(23)24)20-21(15(13)22)9-2-4-10(5-3-9)31(25,26)27/h1-7,13H,17H2,(H,23,24)(H,25,26,27)(H,28,29,30)",C16H13N5O9S2,,,,,,BJJABVALSYRXKL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.642,227-106-1,5657-26-1,1-[4-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)butyl]-3-phenylthiourea,1-[4-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)butyl]-3-phenylthiourea,O=C1C(CCCCNC(=S)Nc2ccccc2)NC(=S)N1c3ccccc3,O=C1C(CCCCNC(=S)Nc2ccccc2)NC(=S)N1c3ccccc3,"InChI=1/C20H22N4OS2/c25-18-17(23-20(27)24(18)16-11-5-2-6-12-16)13-7-8-14-21-19(26)22-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,23,27)(H2,21,22,26)",C20H22N4OS2,,,,,,BUPYRERCBPFRFM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.644,227-108-2,5659-47-2,"2,3,4,4,5-pentachlorocyclopent-2-en-1-one","2,3,4,4,5-pentachlorocyclopent-2-en-1-one",ClC1C(=O)C(=C(Cl)C1(Cl)Cl)Cl,ClC1C(=O)C(=C(Cl)C1(Cl)Cl)Cl,"InChI=1/C5HCl5O/c6-1-2(11)4(8)5(9,10)3(1)7/h4H",C5HCl5O,,,,,,OCLLQGWDUVFOFT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.645,227-109-8,5660-34-4,"Furo[3,4-b]quinoxaline-1,3-dione","furo[3,4-b]quinoxaline-1,3-dione",O=C1OC(=O)c2nc3ccccc3nc12,O=C1OC(=O)c2nc3ccccc3nc12,InChI=1/C10H4N2O3/c13-9-7-8(10(14)15-9)12-6-4-2-1-3-5(6)11-7/h1-4H,C10H4N2O3,,,,,,YEBDGBXBXQSSLM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.995,219-794-7,2533-20-2,"6-heptadecyl-1,3,5-triazine-2,4-diamine","6-heptadecyl-1,3,5-triazine-2,4-diamine",CCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1,CCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1,"InChI=1/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19(21)25-20(22)24-18/h2-17H2,1H3,(H4,21,22,23,24,25)",C20H39N5,,,,,,YZVJFFKAKLWXOE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.996,219-795-2,2533-34-8,"6-undecyl-1,3,5-triazine-2,4-diamine","6-undecyl-1,3,5-triazine-2,4-diamine",CCCCCCCCCCCc1nc(N)nc(N)n1,CCCCCCCCCCCc1nc(N)nc(N)n1,"InChI=1/C14H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(15)19-14(16)18-12/h2-11H2,1H3,(H4,15,16,17,18,19)",C14H27N5,,,,,,MLCIKWISJBFZKS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.516,221-467-9,3108-15-4,"2,5-dimethoxybenzenediazonium tetrafluoroborate","2,5-dimethoxybenzenediazonium tetrafluoroborate",COc1ccc(OC)c(c1)[N+]#N.F[B-](F)(F)F,COc1ccc(OC)c(c1)[N+]#N.F[B-](F)(F)F,"InChI=1/C8H9N2O2.BF4/c1-11-6-3-4-8(12-2)7(5-6)10-9;2-1(3,4)5/h3-5H,1-2H3;/q+1;-1",C8H9N2O2.BF4,,,,,,GUASOEMIAFJCCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.520,221-472-6,3109-63-5,Tetrabutylammonium hexafluorophosphate,"N,N,N-tributylbutan-1-aminium hexafluorophosphate",CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F,CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F,"InChI=1/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1",C16H36N.F6P,,,,,,BKBKEFQIOUYLBC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.522,221-474-7,3112-31-0,"Pyrazole-3,5-dicarboxylic acid monohydrate","1H-pyrazole-3,5-dicarboxylic acid hydrate",O.OC(=O)c1cc([nH]n1)C(=O)O,O.OC(=O)c1cc([nH]n1)C(=O)O,"InChI=1/C5H4N2O4.H2O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);1H2",C5H4N2O4,,,,,,GLINCONFUZIMCN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.532,218-184-8,2066-93-5,"3,4-dihydro-3,4-dioxonaphthalene-1-sulphonic acid","3,4-dioxo-3,4-dihydronaphthalene-1-sulfonic acid",OS(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,OS(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,"InChI=1/C10H6O5S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,(H,13,14,15)",C10H6O5S,,,,,,PZTGRDMCBZUJDL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.539,218-192-1,2069-32-1,7-nitro-2-(trifluoromethyl)-10H-phenothiazine,7-nitro-2-(trifluoromethyl)-10H-phenothiazine,[O-][N+](=O)c1ccc2Nc3cc(ccc3Sc2c1)C(F)(F)F,[O-][N+](=O)c1ccc2Nc3cc(ccc3Sc2c1)C(F)(F)F,"InChI=1/C13H7F3N2O2S/c14-13(15,16)7-1-4-11-10(5-7)17-9-3-2-8(18(19)20)6-12(9)21-11/h1-6,17H",C13H7F3N2O2S,,,,,,LLVCJYBCDMKVPS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.543,218-196-3,2074-50-2,Paraquat-dimethylsulfate,"1,1'-dimethyl-4,4'-bipyridinium bis(methyl sulfate)",COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[n+]1ccc(cc1)c2cc[n+](C)cc2,COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[n+]1ccc(cc1)c2cc[n+](C)cc2,"InChI=1/C12H14N2.2CH4O4S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-5-6(2,3)4/h3-10H,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2",C12H14N2.2CH3O4S,,,,,,WXJYKXOIFICRPR-UHFFFAOYSA-L,,,,,,,,,,,
100.016.544,218-197-9,2074-53-5,"[2R*(4R*,8R*)]-(±)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,"InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3",C29H50O2,,,,,,GVJHHUAWPYXKBD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.553,218-208-7,2079-89-2,Bis(3-aminopropiononitrile) fumarate,3-aminopropanenitrile but-2-enedioate (2:1),NCCC#N.NCCC#N.OC(=O)\\C=C\\C(=O)O,NCCC#N.NCCC#N.OC(=O)\C=C\C(=O)O,"InChI=1/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2",C4H4O4.2C3H6N2,,,,,,NYMXYZMHOZAPHQ-SEPHDYHBSA-N,,,,,,,,,,,
100.016.557,218-212-9,2082-59-9,Valeric anhydride,pentanoic anhydride,CCCCC(=O)OC(=O)CCCC,CCCCC(=O)OC(=O)CCCC,"InChI=1/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3",C10H18O3,,,,,,DUCKXCGALKOSJF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.560,218-216-0,2082-79-3,"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate","octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate",CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3",C35H62O3,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15217,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.560,SSDSCDGVMJFTEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.562,218-218-1,2082-81-7,Tetramethylene dimethacrylate,"butane-1,4-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCCCOC(=O)C(=C)C,CC(=C)C(=O)OCCCCOC(=O)C(=C)C,"InChI=1/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3",C12H18O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13815,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.562,XOJWAAUYNWGQAU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.563,218-219-7,2082-84-0,Decyltrimethylammonium bromide,"N,N,N-trimethyldecan-1-aminium bromide",[Br-].CCCCCCCCCC[N+](C)(C)C,[Br-].CCCCCCCCCC[N+](C)(C)C,"InChI=1/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1",C13H30N.Br,,,,,,PLMFYJJFUUUCRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.023.577,225-934-8,5159-44-4,"(E)-2-(3,5-hexadienyl)-5-methylfuran","2-hexa-3,5-dien-1-yl-5-methylfuran",Cc1oc(CC\\C=C\\C=C)cc1,Cc1oc(CC\C=C\C=C)cc1,"InChI=1/C11H14O/c1-3-4-5-6-7-11-9-8-10(2)12-11/h3-5,8-9H,1,6-7H2,2H3",C11H14O,,,,,,UXETZHCGPACBOS-SNAWJCMRSA-N,,,,,,,,,,,
100.023.578,225-935-3,1/02/5160,Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate],barium bis{5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate},[Ba+2].Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=Nc1c2ccccc2ccc1O,[Ba+2].Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",C17H13ClN2O4S.1/2Ba,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14894,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.578,POJOORKDYOPQLS-UHFFFAOYSA-L,,,,,,,,,,,
100.023.587,225-945-8,5165-79-7,Sodium [3-(4-benzamido-6-methoxy-m-tolyl)-1-methyl-2-triazeno]acetate,sodium {3-[2-(benzoylamino)-4-methoxy-5-methylphenyl]-1-methyltriaz-2-en-1-yl}acetate,COc1cc(NC(=O)c2ccccc2)c(cc1C)N=NN(C)CC(=O)O[Na],COc1cc(NC(=O)c2ccccc2)c(cc1C)N=NN(C)CC(=O)O[Na],"InChI=1/C18H20N4O4.Na/c1-12-9-15(20-21-22(2)11-17(23)24)14(10-16(12)26-3)19-18(25)13-7-5-4-6-8-13;/h4-10H,11H2,1-3H3,(H,19,25)(H,23,24);/q;+1/p-1",C18H20N4O4.Na,,,,,,YHKSAWBGZZDDEA-UHFFFAOYSA-M,,,,,,,,,,,
100.023.589,225-947-9,5165-82-2,"Sodium 2-[3-(4-benzamido-2,5-diethoxyphenyl)-1-methyl-2-triazen-]ethanesulphonate","sodium 2-{3-[4-(benzoylamino)-2,5-diethoxyphenyl]-1-methyltriaz-2-en-1-yl}ethanesulfonate",CCOc1cc(N=NN(C)CCS(=O)(=O)O[Na])c(OCC)cc1NC(=O)c2ccccc2,CCOc1cc(N=NN(C)CCS(=O)(=O)O[Na])c(OCC)cc1NC(=O)c2ccccc2,"InChI=1/C20H26N4O6S.Na/c1-4-29-18-14-17(22-23-24(3)11-12-31(26,27)28)19(30-5-2)13-16(18)21-20(25)15-9-7-6-8-10-15;/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,25)(H,26,27,28);/q;+1/p-1/rC20H25N4NaO6S/c1-4-29-18-14-17(22-23-24(3)11-12-32(27,28)31-25)19(30-5-2)13-16(18)21-20(26)15-9-7-6-8-10-15/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,26)",C20H26N4O6S.Na,,,,,,INWDFEATIPCINK-UHFFFAOYSA-M,,,,,,,,,,,
100.023.595,225-954-7,7/05/5173,"1-[1,1':2',1''-terphenyl]-4-ylethan-1-one","1-(1,1':2',1''-terphenyl-4-yl)ethanone",CC(=O)c1ccc(cc1)c2ccccc2c3ccccc3,CC(=O)c1ccc(cc1)c2ccccc2c3ccccc3,"InChI=1/C20H16O/c1-15(21)16-11-13-18(14-12-16)20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-14H,1H3",C20H16O,,,,,,DVQIELBBPKJSLS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.599,225-958-9,5175-83-7,"Bismuth tris(2,4,6-tribromophenoxide)","tris(2,4,6-tribromophenoxy)bismuthine",Brc1cc(Br)c(O[Bi](Oc2c(Br)cc(Br)cc2Br)Oc3c(Br)cc(Br)cc3Br)c(Br)c1,Brc1cc(Br)c(O[Bi](Oc2c(Br)cc(Br)cc2Br)Oc3c(Br)cc(Br)cc3Br)c(Br)c1,"InChI=1/3C6H3Br3O.Bi/c3*7-3-1-4(8)6(10)5(9)2-3;/h3*1-2,10H;/q;;;+3/p-3",C6H3Br3O.1/3Bi,,,,,,SAOHCOFTVLEOCB-UHFFFAOYSA-K,,,,,,,,,,,
100.023.604,225-964-1,5182-44-5,m-chlorophenethylic alcohol,2-(3-chlorophenyl)ethanol,OCCc1cccc(Cl)c1,OCCc1cccc(Cl)c1,"InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2",C8H9ClO,,,,,,NDWAVJKRSASRPH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.606,225-966-2,5184-75-8,"Di-2,4-xylyl sulphone","1,1'-sulfonylbis(2,4-dimethylbenzene)",Cc1ccc(c(C)c1)S(=O)(=O)c2ccc(C)cc2C,Cc1ccc(c(C)c1)S(=O)(=O)c2ccc(C)cc2C,"InChI=1/C16H18O2S/c1-11-5-7-15(13(3)9-11)19(17,18)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3",C16H18O2S,,,,,,CWZZFEROKOHBGT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.609,225-969-9,8/07/5188,Sodium methanethiolate,sodium methanethiolate,[Na+].C[S-],[Na+].C[S-],"InChI=1/CH4S.Na/c1-2;/h2H,1H3;/q;+1/p-1",CH4S.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10183,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.609,RMBAVIFYHOYIFM-UHFFFAOYSA-M,,,,,,,,,,,
100.023.613,225-974-6,5190-63-6,"4-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","5-methyl-2-phenyl-4-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2,4-dihydro-3H-pyrazol-3-one",C/C4=N/N(c1ccccc1)C(=O)C4=CC=C3N(C)c2ccccc2C3(C)C,C/C4=N/N(c1ccccc1)C(=O)C4=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C23H23N3O/c1-16-18(22(27)26(24-16)17-10-6-5-7-11-17)14-15-21-23(2,3)19-12-8-9-13-20(19)25(21)4/h5-15H,1-4H3",C23H23N3O,,,,,,VANSFRDHZRBRTF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.614,225-975-1,5191-54-8,2-benzyl-4-methylpyridine,2-benzyl-4-methylpyridine,Cc1ccnc(Cc2ccccc2)c1,Cc1ccnc(Cc2ccccc2)c1,"InChI=1/C13H13N/c1-11-7-8-14-13(9-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3",C13H13N,,,,,,BMVGPICTSDRAIS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.619,225-980-9,5194-51-4,"trans,trans-hexa-2,4-diene","hexa-2,4-diene",C\\C=C\\C=C\\C,C\C=C\C=C\C,"InChI=1/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3",C6H10,,,,,,APPOKADJQUIAHP-GGWOSOGESA-N,,,,,,,,,,,
100.023.620,225-981-4,5196-20-3,"1,3-dihydro-6-methylfuro[3,4-c]pyridin-7-ol","6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol",Cc1ncc2COCc2c1O,Cc1ncc2COCc2c1O,"InChI=1/C8H9NO2/c1-5-8(10)7-4-11-3-6(7)2-9-5/h2,10H,3-4H2,1H3",C8H9NO2,,,,,,GFEZPGADIMGWOH-UHFFFAOYSA-N,,,,,,,,,,,
100.013.292,214-621-1,1168-87-2,4-nitrophenyl N-[(phenylmethoxy)carbonyl]-L-alaninate,4-nitrophenyl N-[(benzyloxy)carbonyl]-D-alaninate,C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C17H16N2O6/c1-12(18-17(21)24-11-13-5-3-2-4-6-13)16(20)25-15-9-7-14(8-10-15)19(22)23/h2-10,12H,11H2,1H3,(H,18,21)",C17H16N2O6,,,,,,SXWWICLSRXPNNW-LBPRGKRZSA-N,,,,,,,,,,,
100.016.173,217-789-4,1955-04-0,Methyl 3-(chlorocarbonyl)-5-nitrobenzoate,methyl 3-(chlorocarbonyl)-5-nitrobenzoate,COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,"InChI=1/C9H6ClNO5/c1-16-9(13)6-2-5(8(10)12)3-7(4-6)11(14)15/h2-4H,1H3",C9H6ClNO5,,,,,,DQTOZIJNMYYCJE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.179,217-796-2,2/11/1956,4-nitrophenyl laurate,4-nitrophenyl laurate,CCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-],CCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-14-12-16(13-15-17)19(21)22/h12-15H,2-11H2,1H3",C18H27NO4,,,,,,YNGNVZFHHJEZKD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.181,217-798-3,1956-25-8,5-benzyloxytryptophan,5-(benzyloxy)tryptophan,NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O,NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O,"InChI=1/C18H18N2O3/c19-16(18(21)22)8-13-10-20-17-7-6-14(9-15(13)17)23-11-12-4-2-1-3-5-12/h1-7,9-10,16,20H,8,11,19H2,(H,21,22)",C18H18N2O3,,,,,,DFGNDJBYANKHIO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.183,217-800-2,1956-45-2,1-(2-thienyl)ethanone oxime,1-(2-thienyl)ethanone oxime,CC(=NO)c1cccs1,CC(=NO)c1cccs1,"InChI=1/C6H7NOS/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3",C6H7NOS,,,,,,HODHTVIKKXGOCP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.184,217-801-8,1958-93-6,2-(bromomethyl)-1-fluoro-3-nitrobenzene,2-(bromomethyl)-1-fluoro-3-nitrobenzene,[O-][N+](=O)c1cccc(F)c1CBr,[O-][N+](=O)c1cccc(F)c1CBr,"InChI=1/C7H5BrFNO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2",C7H5BrFNO2,,,,,,KKSODTKRSQTJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.185,217-802-3,1961-77-9,Chlormadinone,"6-chloro-17-hydroxypregna-4,6-diene-3,20-dione",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3",C21H27ClO3,,,,,,VUHJZBBCZGVNDZ-TTYLFXKOSA-N,,,,,,,,,,,
100.016.186,217-803-9,1962-75-0,Dibutyl terephthalate,dibutyl terephthalate,CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC,CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC,"InChI=1/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",C16H22O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12538,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.186,LQLQDKBJAIILIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.187,217-804-4,7/03/1963,"Androst-5-ene-3-ß,17-a-diol","androst-5-ene-3,17-diol",C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O,"InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3",C19H30O2,,,,,,QADHLRWLCPCEKT-SLMGBJJTSA-N,,,,,,,,,,,
100.016.190,217-808-6,1964-89-2,"Disodium 4,5-dihydroxy-3,6-bis(4-nitrophenylazo)naphthalene-2,2',2',7-tetrasulphonate","disodium 2,2'-[(1,8-dihydroxy-3,6-disulfonaphthalene-2,7-diyl)didiazene-2,1-diyl]bis(5-nitrobenzenesulfonate)",Oc1c(N=Nc2ccc(cc2S(=O)(=O)O[Na])N(=O)=O)c(cc3cc(c(N=Nc4ccc(cc4S(=O)(=O)O[Na])N(=O)=O)c(O)c13)S(=O)(=O)O)S(=O)(=O)O,Oc1c(N=Nc2ccc(cc2S(=O)(=O)O[Na])N(=O)=O)c(cc3cc(c(N=Nc4ccc(cc4S(=O)(=O)O[Na])N(=O)=O)c(O)c13)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C22H14N6O18S4.2Na/c29-21-18-9(5-16(49(41,42)43)19(21)25-23-12-3-1-10(27(31)32)7-14(12)47(35,36)37)6-17(50(44,45)46)20(22(18)30)26-24-13-4-2-11(28(33)34)8-15(13)48(38,39)40;;/h1-8,29-30H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/rC22H12N6Na2O18S4/c29-47-51(43,44)14-7-10(27(33)34)1-3-12(14)23-25-19-16(49(37,38)39)5-9-6-17(50(40,41)42)20(22(32)18(9)21(19)31)26-24-13-4-2-11(28(35)36)8-15(13)52(45,46)48-30/h1-8,31-32H,(H,37,38,39)(H,40,41,42)",C22H14N6O18S4,,,,,,CKLNXXLIRDZLQS-UHFFFAOYSA-L,,,,,,,,,,,
100.016.191,217-809-1,9/09/1965,"p,p'-oxybisphenol","4,4'-oxydiphenol",Oc1ccc(Oc2ccc(O)cc2)cc1,Oc1ccc(Oc2ccc(O)cc2)cc1,"InChI=1/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H",C12H10O3,,,,,,NZGQHKSLKRFZFL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.199,217-818-0,1968-40-7,Ethyl pent-4-en-1-oate,ethyl pent-4-enoate,CCOC(=O)CCC=C,CCOC(=O)CCC=C,"InChI=1/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3",C7H12O2,,,,,,PTVSRINJXWDIKP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.201,217-820-1,1971-57-9,"(1,5-dimethylhexyl)amine (1S)-2-oxobornane-10-sulphonate","(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid - 6-methylheptan-2-amine (1:1)",CC(C)CCCC(C)N.CC1(C)C2CC[C@@]1(CS(=O)(=O)O)C(=O)C2,CC(C)CCCC(C)N.CC1(C)C2CC[C@@]1(CS(=O)(=O)O)C(=O)C2,"InChI=1/C10H16O4S.C8H19N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-7(2)5-4-6-8(3)9/h7H,3-6H2,1-2H3,(H,12,13,14);7-8H,4-6,9H2,1-3H3",C10H16O4S.C8H19N,,,,,,IJUZWPVVLRFXDI-DLGLCQKISA-N,,,,,,,,,,,
100.019.526,221-478-9,3112-90-1,a-(methylsulphonyl)toluene,[(methylsulfonyl)methyl]benzene,CS(=O)(=O)Cc1ccccc1,CS(=O)(=O)Cc1ccccc1,"InChI=1/C8H10O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",C8H10O2S,,,,,,BEARMXYKACECDH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.539,221-493-0,3119-15-1,"3-amino-2,4,6-triiodobenzoic acid","3-amino-2,4,6-triiodobenzoic acid",Nc1c(I)cc(I)c(C(=O)O)c1I,Nc1c(I)cc(I)c(C(=O)O)c1I,"InChI=1/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)",C7H4I3NO2,,,,,,QMQFFHSJUJDRPG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.648,227-112-4,5660-91-3,"1,3-diphenyl-2H-cyclopenta[l]phenanthren-2-one","1,3-diphenyl-2H-cyclopenta[l]phenanthren-2-one",O=C1C(=C2C(=C1c3ccccc3)c4ccccc4c5ccccc25)c6ccccc6,O=C1C(=C2C(=C1c3ccccc3)c4ccccc4c5ccccc25)c6ccccc6,InChI=1/C29H18O/c30-29-25(19-11-3-1-4-12-19)27-23-17-9-7-15-21(23)22-16-8-10-18-24(22)28(27)26(29)20-13-5-2-6-14-20/h1-18H,C29H18O,,,,,,MNSDGJFEKUKHGO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.650,227-115-0,5661-71-2,Perhydroazonine,azonane,C1CCCCNCCC1,C1CCCCNCCC1,"InChI=1/C8H17N/c1-2-4-6-8-9-7-5-3-1/h9H,1-8H2",C8H17N,,,,,,NRHDCQLCSOWVTF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.652,227-117-1,6/03/5663,[(trimethylsilyl)methyl]urea,1-[(trimethylsilyl)methyl]urea,C[Si](C)(C)CNC(=O)N,C[Si](C)(C)CNC(=O)N,"InChI=1/C5H14N2OSi/c1-9(2,3)4-7-5(6)8/h4H2,1-3H3,(H3,6,7,8)",C5H14N2OSi,,,,,,HWXJDLBJPSCNJL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.653,227-118-7,5663-29-6,"2-pentyl-1,3-dioxane","2-pentyl-1,3-dioxane",CCCCCC1OCCCO1,CCCCCC1OCCCO1,"InChI=1/C9H18O2/c1-2-3-4-6-9-10-7-5-8-11-9/h9H,2-8H2,1H3",C9H18O2,,,,,,SMUIAOJZCSQUSN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.655,227-120-8,5663-71-8,2-(aminocarbonyl)phenyl acetate,2-carbamoylphenyl acetate,CC(=O)Oc1ccccc1C(=O)N,CC(=O)Oc1ccccc1C(=O)N,"InChI=1/C9H9NO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3,(H2,10,12)",C9H9NO3,,,,,,KGHXFBVYXDFJGG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.658,227-123-4,5/11/5666,Levomoramide,"4-(2-methyl-4-oxo-3,3-diphenyl-4-pyrrolidin-1-ylbutyl)morpholine",C[C@@H](CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4,C[C@@H](CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4,"InChI=1/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3",C25H32N2O2,,,,,,INUNXTSAACVKJS-NRFANRHFSA-N,,,,,,,,,,,
100.024.664,227-130-2,5670-23-5,4-methylbenzofuran,4-methyl-1-benzofuran,Cc1cccc2occc12,Cc1cccc2occc12,"InChI=1/C9H8O/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H,1H3",C9H8O,,,,,,IOOGOHRKXRMUEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.680,231-548-0,7631-90-5,Sodium hydrogensulfite,sodium hydrogen sulfite,[Na+].OS(=O)[O-],[Na+].OS(=O)[O-],"InChI=1/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",H2O3S.Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15334,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.680,DWAQJAXMDSEUJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.681,231-549-6,7631-93-8,Sodium methyl salicylate,-,[Na+].COC(=O)c1ccccc1O,[Na+].COC(=O)c1ccccc1O,"InChI=1/C8H8O3.Na/c1-11-8(10)6-4-2-3-5-7(6)9;/h2-5,9H,1H3;/q;+1",C8H8O3.Na,,,,,,QKEBHWZTVCFHCF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.696,231-565-3,2/11/7635,L-allose,L-allose,OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O,OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-MOJAZDJTSA-N,,,,,,,,,,,
100.028.702,231-572-1,7639-96-5,"1,4-bis[(2,6-dimethylphenyl)amino]anthraquinone","1,4-bis[(2,6-dimethylphenyl)amino]-9,10-anthraquinone",Cc1cccc(C)c1Nc2ccc(Nc3c(C)cccc3C)c4C(=O)c5ccccc5C(=O)c24,Cc1cccc(C)c1Nc2ccc(Nc3c(C)cccc3C)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C30H26N2O2/c1-17-9-7-10-18(2)27(17)31-23-15-16-24(32-28-19(3)11-8-12-20(28)4)26-25(23)29(33)21-13-5-6-14-22(21)30(26)34/h5-16,31-32H,1-4H3",C30H26N2O2,,,,,,ROXADXZZIZDALU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.704,231-574-2,7640-33-7,7-bromo-5-chloroquinolin-8-ol,7-bromo-5-chloroquinolin-8-ol,Oc1c(Br)cc(Cl)c2cccnc12,Oc1c(Br)cc(Cl)c2cccnc12,"InChI=1/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13H",C9H5BrClNO,,,,,,ADJQQSUBKRASQN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.707,231-577-9,8/04/7642,(Z)-oct-2-ene,oct-2-ene,CCCCC\\C=C/C,CCCCC\C=C/C,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3",C8H16,,,,,,ILPBINAXDRFYPL-HYXAFXHYSA-N,,,,,,,,,,,
100.028.708,231-578-4,7642-15-1,(Z)-oct-4-ene,oct-4-ene,CCC\\C=C/CCC,CCC\C=C/CCC,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3",C8H16,,,,,,IRUCBBFNLDIMIK-FPLPWBNLSA-N,,,,,,,,,,,
100.028.710,231-581-0,5/08/7643,2-(methylthio)-10H-phenothiazine,2-(methylsulfanyl)-10H-phenothiazine,CSc1ccc2Sc3ccccc3Nc2c1,CSc1ccc2Sc3ccccc3Nc2c1,"InChI=1/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3",C13H11NS2,,,,,,OBVKBOLDEFIQDP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.712,231-583-1,9/06/7645,"5-ethyl-5-phenylbarbituric acid, calcium salt","[5-ethyl-2,6-di(hydroxy-kappaO)-5-phenylpyrimidin-4(5H)-onato(2-)]calcium",CCC1(C(=O)N=C2O[Ca]OC1=N2)c3ccccc3,CCC1(C(=O)N=C2O[Ca]OC1=N2)c3ccccc3,"InChI=1/C12H12N2O3.Ca/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+2/p-2",C12H12N2O3.xCa,,,,,,HUHBZVDRPSZCCS-UHFFFAOYSA-L,,,,,,,,,,,
100.028.714,231-585-2,7645-58-1,"11-a,17-a,21-trihydroxy-16-a-methyl-5-a-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulphonate)","17-hydroxy-16-methyl-11-{[(4-methylphenyl)sulfonyl]oxy}-3,20-dioxopregnan-21-yl acetate",CC1CC2C3CCC4CC(=O)CCC4(C)C3C(CC2(C)C1(O)C(=O)COC(=O)C)OS(=O)(=O)c5ccc(C)cc5,CC1CC2C3CCC4CC(=O)CCC4(C)C3C(CC2(C)C1(O)C(=O)COC(=O)C)OS(=O)(=O)c5ccc(C)cc5,"InChI=1/C31H42O8S/c1-18-6-9-23(10-7-18)40(36,37)39-26-16-30(5)25(14-19(2)31(30,35)27(34)17-38-20(3)32)24-11-8-21-15-22(33)12-13-29(21,4)28(24)26/h6-7,9-10,19,21,24-26,28,35H,8,11-17H2,1-5H3",C31H42O8S,,,,,,BAOPJFFGWAXPHH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.720,231-592-0,7646-85-7,Zinc chloride,zinc dichloride,[Cl-].[Cl-].[Zn+2],[Cl-].[Cl-].[Zn+2],InChI=1/2ClH.Zn/h2*1H;/q;;+2/p-2,Cl2Zn,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15087,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.720,JIAARYAFYJHUJI-UHFFFAOYSA-L,,,,,,,,,,,
100.016.564,218-220-2,2/09/2083,"2,5-di(biphenyl-4-yl)oxazole","2,5-dibiphenyl-4-yl-1,3-oxazole",o1c(cnc1c2ccc(cc2)c3ccccc3)c4ccc(cc4)c5ccccc5,o1c(cnc1c2ccc(cc2)c3ccccc3)c4ccc(cc4)c5ccccc5,InChI=1/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H,C27H19NO,,,,,,DDZJGFHXUOWOSL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.572,218-229-1,2086-83-1,Berberine,"9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium",COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,"InChI=1/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",C20H18NO4,,,,,,YBHILYKTIRIUTE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.576,218-233-3,2088-87-1,"Naphthalene-1,2-dicarboxylic acid","naphthalene-1,2-dicarboxylic acid",OC(=O)c1ccc2ccccc2c1C(=O)O,OC(=O)c1ccc2ccccc2c1C(=O)O,"InChI=1/C12H8O4/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)",C12H8O4,,,,,,KYTZHLUVELPASH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.121,216-632-7,1631-29-4,"1-(4-chlorophenyl)-1H-pyrrole-2,5-dione","1-(4-chlorophenyl)-1H-pyrrole-2,5-dione",Clc1ccc(cc1)N2C(=O)C=CC2=O,Clc1ccc(cc1)N2C(=O)C=CC2=O,InChI=1/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,C10H6ClNO2,,,,,,FPZQYYXSOJSITC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.252,216-776-0,1665-00-5,Dichloro(2H2)methane,dichloromethane,ClCCl,ClCCl,InChI=1/CH2Cl2/c2-1-3/h1H2,CCl2D2,,,,,,YMWUJEATGCHHMB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.253,216-777-6,1665-48-1,Metaxalone,"5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one",Cc1cc(C)cc(OCC2CNC(=O)O2)c1,Cc1cc(C)cc(OCC2CNC(=O)O2)c1,"InChI=1/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)",C12H15NO3,,,,,,IMWZZHHPURKASS-UHFFFAOYSA-N,Positive/Negative,EQ312701|EQ312702|EQ312703|EQ312704|EQ312705|EQ312706,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,161.0962:56.0496:135.0806|161.0962:56.0496:135.0805|56.0496:161.0962:133.1013|56.0496:105.07:133.1013|56.0496:105.07:79.0543|105.07:79.0543:56.0496,Eawag,EQ312751|EQ312752|EQ312753|EQ312754|EQ312755|EQ312756,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,220.0361:130.0172:131.0136|220.0359:130.0172:131.0137|130.0172:131.0136:220.0358|130.0171:131.0136|130.0171:131.0136|130.0171:131.0136,Eawag
100.015.265,216-790-7,1668-54-8,"4-methoxy-6-methyl-1,3,5-triazin-2-amine","4-methoxy-6-methyl-1,3,5-triazin-2-amine",COc1nc(C)nc(N)n1,COc1nc(C)nc(N)n1,"InChI=1/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)",C5H8N4O,,,,,,NXFQWRWXEYTOTK-UHFFFAOYSA-N,Positive,AU200401|AU200402|AU200403;EA012501|EA012502|EA012503|EA012504|EA012505|EA012506|EA012507|EA012508|EA012509|EA012510|EA012511|EA012512|EA012513|EA012514,[M+H]+;[M+H]+,CID10|CID20|CID30;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,141.0762:121.0383|141.0762:121.0378|141.0774;141.077:57.0446:85.0396|141.0771|141.077:56.0494:57.0445|141.0771:57.0446:100.0504|141.0771:57.0447:100.0505|141.077:57.0446:100.0504|57.0446:141.0771:100.0504|141.077:56.0493:57.0447|141.0769:56.0493:57.0446|141.077:57.0446:100.0504|141.077:57.0447:100.0504|141.0769:57.0446:100.0504|57.0446:141.0769:100.0504|141.077:57.0446:85.0395,Athens_Univ;Eawag,,,,,
100.015.271,216-797-5,1670-46-8,2-acetylcyclopentan-1-one,2-acetylcyclopentanone,CC(=O)C1CCCC1=O,CC(=O)C1CCCC1=O,"InChI=1/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3",C7H10O2,,,,,,OSWDNIFICGLKEE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.272,216-798-0,1670-47-9,"1,1-diethoxycyclohexane","1,1-diethoxycyclohexane",CCOC1(CCCCC1)OCC,CCOC1(CCCCC1)OCC,"InChI=1/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3",C10H20O2,,,,,,MWUDABUKTZAZCX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.273,216-799-6,1670-81-1,Indole-5-carboxylic acid,1H-indole-5-carboxylic acid,OC(=O)c1ccc2[nH]ccc2c1,OC(=O)c1ccc2[nH]ccc2c1,"InChI=1/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)",C9H7NO2,,,,,,IENZCGNHSIMFJE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.275,216-802-0,1671-75-6,1-phenylheptan-1-one,1-phenylheptan-1-one,CCCCCCC(=O)c1ccccc1,CCCCCCC(=O)c1ccccc1,"InChI=1/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3",C13H18O,,,,,,UXMQORVHJMUQFD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.280,216-807-8,1672-48-6,4-amino-6-hydroxy-2-mercapto-5-nitrosopyrimidine,6-amino-5-nitroso-2-sulfanylpyrimidin-4-ol,Nc1nc(S)nc(O)c1N=O,Nc1nc(S)nc(O)c1N=O,"InChI=1/C4H4N4O2S/c5-2-1(8-10)3(9)7-4(11)6-2/h(H4,5,6,7,9,11)",C4H4N4O2S,,,,,,UOWCFGBLAMCSFY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.282,216-809-9,1673-06-9,Amphotalide,"2-[5-(4-aminophenoxy)pentyl]-1H-isoindole-1,3(2H)-dione",Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)cc1,Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)cc1,"InChI=1/C19H20N2O3/c20-14-8-10-15(11-9-14)24-13-5-1-4-12-21-18(22)16-6-2-3-7-17(16)19(21)23/h2-3,6-11H,1,4-5,12-13,20H2",C19H20N2O3,,,,,,GIIGAFADHXYOPM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.284,216-812-5,1673-47-8,3-chlorobenzohydrazide,3-chlorobenzohydrazide,NNC(=O)c1cccc(Cl)c1,NNC(=O)c1cccc(Cl)c1,"InChI=1/C7H7ClN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)",C7H7ClN2O,,,,,,PHRDZSRVSVNQRN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.287,216-815-1,1674-18-6,"1,1',1'',1'''-(propa-1,2-diene-1,3-diylidene)tetrakisbenzene","1,1',1'',1'''-propadiene-1,1,3,3-tetrayltetrabenzene",c1ccc(cc1)C(=C=C(c2ccccc2)c3ccccc3)c4ccccc4,c1ccc(cc1)C(=C=C(c2ccccc2)c3ccccc3)c4ccccc4,InChI=1/C27H20/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,C27H20,,,,,,IFDRDSWHWMTLKM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.288,216-816-7,1674-30-2,2-chloro-1-phenylethanol,2-chloro-1-phenylethanol,OC(CCl)c1ccccc1,OC(CCl)c1ccccc1,"InChI=1/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2",C8H9ClO,,,,,,XWCQSILTDPAWDP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.170,217-786-8,1954-79-6,Mecloralurea,"1-methyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea",CNC(=O)NC(O)C(Cl)(Cl)Cl,CNC(=O)NC(O)C(Cl)(Cl)Cl,"InChI=1/C4H7Cl3N2O2/c1-8-3(11)9-2(10)4(5,6)7/h2,10H,1H3,(H2,8,9,11)",C4H7Cl3N2O2,,,,,,BULMIDNYAWYAMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.177,217-794-1,1955-73-3,Disodium galactarate,"disodium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Na+].[Na+].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],[Na+].[Na+].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],"InChI=1/C6H10O8.2Na/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2",C6H10O8.2Na,,,,,,IDAGXRIGDWCIET-SXKXKJGMSA-L,,,,,,,,,,,
100.013.293,214-622-7,1169-49-9,Testosterone isobutyrate,3-oxoandrost-4-en-17-yl 2-methylpropanoate,CC(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H34O3/c1-14(2)21(25)26-20-8-7-18-17-6-5-15-13-16(24)9-11-22(15,3)19(17)10-12-23(18,20)4/h13-14,17-20H,5-12H2,1-4H3",C23H34O3,,,,,,PYHZLMFTKOTWGQ-WAUHAFJUSA-N,,,,,,,,,,,
100.013.306,214-636-3,1173-88-2,"Sodium [2S-(2a,5a,6ß)]-3,3-dimethyl-6-[[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 3,3-dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",Cc1onc(c2ccccc2)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O[Na],Cc1onc(c2ccccc2)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O[Na],"InChI=1/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1",C19H19N3O5S.Na,,,,,,VDUVBBMAXXHEQP-UHFFFAOYSA-M,,,,,,,,,,,
100.013.309,214-640-5,1175-06-0,6-oxocholestanol,1-hydroxycholestan-6-one,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4CCCC(O)[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4CCCC(O)[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H46O2/c1-17(2)8-6-9-18(3)20-12-13-21-19-16-24(28)23-10-7-11-25(29)27(23,5)22(19)14-15-26(20,21)4/h17-23,25,29H,6-16H2,1-5H3",C27H46O2,,,,,,DUGQRYZRHIVADK-GGLGBZJVSA-N,,,,,,,,,,,
100.013.316,214-647-3,1178-79-6,Chlorotris(2-methyl-2-phenylpropyl)stannane,chloro[tris(2-methyl-2-phenylpropyl)]stannane,CC(C)(C[Sn](Cl)(CC(C)(C)c1ccccc1)CC(C)(C)c2ccccc2)c3ccccc3,CC(C)(C[Sn](Cl)(CC(C)(C)c1ccccc1)CC(C)(C)c2ccccc2)c3ccccc3,"InChI=1/3C10H13.ClH.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;;/h3*4-8H,1H2,2-3H3;1H;/q;;;;+1/p-1/rC30H39ClSn/c1-28(2,25-16-10-7-11-17-25)22-32(31,23-29(3,4)26-18-12-8-13-19-26)24-30(5,6)27-20-14-9-15-21-27/h7-21H,22-24H2,1-6H3",C30H39ClSn,,,,,,HWTBIXMGMPYDQQ-UHFFFAOYSA-M,,,,,,,,,,,
100.013.321,214-653-6,1182-06-5,"Cholesta-5,7-dien-3-ß-yl benzoate","cholesta-5,7-dien-3-yl benzoate",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5,"InChI=1/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3",C34H48O2,,,,,,IHOQNBAZWVTKFK-BVBBTSNESA-N,,,,,,,,,,,
100.013.322,214-654-1,1182-07-6,Cholest-5-ene-3-beta-yl heptanoate,cholest-5-en-3-yl heptanoate,CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C34H58O2/c1-7-8-9-10-14-32(35)36-27-19-21-33(5)26(23-27)15-16-28-30-18-17-29(25(4)13-11-12-24(2)3)34(30,6)22-20-31(28)33/h15,24-25,27-31H,7-14,16-23H2,1-6H3",C34H58O2,,,,,,KXWDMNPRHKRGKB-DYQRUOQXSA-N,,,,,,,,,,,
100.013.328,214-660-4,1183-04-6,Cholest-5-en-3-ß-yl decanoate,cholest-5-en-3-yl decanoate,CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C37H64O2/c1-7-8-9-10-11-12-13-17-35(38)39-30-22-24-36(5)29(26-30)18-19-31-33-21-20-32(28(4)16-14-15-27(2)3)37(33,6)25-23-34(31)36/h18,27-28,30-34H,7-17,19-26H2,1-6H3",C37H64O2,,,,,,LJGMGXXCKVFFIS-IATSNXCDSA-N,,,,,,,,,,,
100.025.537,228-090-9,6120-95-2,1-phenylcyclopropanecarboxylic acid,1-phenylcyclopropanecarboxylic acid,OC(=O)C1(CC1)c2ccccc2,OC(=O)C1(CC1)c2ccccc2,"InChI=1/C10H10O2/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)",C10H10O2,,,,,,IWWCCNVRNHTGLV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.540,228-094-0,6125-24-2,(2-nitroethyl)benzene,(2-nitroethyl)benzene,[O-][N+](=O)CCc1ccccc1,[O-][N+](=O)CCc1ccccc1,"InChI=1/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9NO2,,,,,,XAWCLWKTUKMCMO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.541,228-095-6,6126-22-3,"5-amino-2,4-dihydro-3H-pyrazol-3-one","5-amino-2,4-dihydro-3H-pyrazol-3-one",NC1=NNC(=O)C1,NC1=NNC(=O)C1,"InChI=1/C3H5N3O/c4-2-1-3(7)6-5-2/h1H2,(H2,4,5)(H,6,7)",C3H5N3O,,,,,,UELIBMUMKLRTKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.545,228-099-8,6130-75-2,"2,4,5-trichloroanisole","1,2,4-trichloro-5-methoxybenzene",COc1cc(Cl)c(Cl)cc1Cl,COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C7H5Cl3O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3",C7H5Cl3O,,,,,,SXKBHOQOOGRFJF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.548,228-102-2,6131-48-2,Phenyl cyanoacetate,phenyl cyanoacetate,O=C(CC#N)Oc1ccccc1,O=C(CC#N)Oc1ccccc1,"InChI=1/C9H7NO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5H,6H2",C9H7NO2,,,,,,SEHASSDIPXUUSI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.552,228-106-4,6135-22-4,3-(dimethylamino)cyclohex-2-en-1-one,3-(dimethylamino)cyclohex-2-en-1-one,CN(C)C1=CC(=O)CCC1,CN(C)C1=CC(=O)CCC1,"InChI=1/C8H13NO/c1-9(2)7-4-3-5-8(10)6-7/h6H,3-5H2,1-2H3",C8H13NO,,,,,,LLNZJTODFKRLIM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.556,228-111-1,6136-93-2,Diethoxyacetonitrile,diethoxyacetonitrile,CCOC(OCC)C#N,CCOC(OCC)C#N,"InChI=1/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3",C6H11NO2,,,,,,UDELMRIGXNCYLU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.540,221-494-6,3119-93-5,3-ethyl-2-methylbenzothiazolium iodide,"3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]1c(C)sc2ccccc12,[I-].CC[n+]1c(C)sc2ccccc12,"InChI=1/C10H12NS.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1",C10H12NS.I,,,,,,HWFCSPDBFXYFKY-UHFFFAOYSA-M,,,,,,,,,,,
100.019.543,221-497-2,3121-52-6,3-(carboxymethyl)-2-methylbenzothiazoleium bromide,"3-(carboxymethyl)-2-methyl-1,3-benzothiazol-3-ium bromide",[Br-].Cc1sc2ccccc2[n+]1CC(=O)O,[Br-].Cc1sc2ccccc2[n+]1CC(=O)O,"InChI=1/C10H9NO2S.BrH/c1-7-11(6-10(12)13)8-4-2-3-5-9(8)14-7;/h2-5H,6H2,1H3;1H",C10H10NO2S.Br,,,,,,NOFDPRUYWCIJRV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.544,221-498-8,3121-60-6,Sodium 4-hydroxy-5-(2-hydroxy-p-anisoyl)-2-methoxybenzenesulphonate,sodium 4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonate,[Na+].COc1ccc(C(=O)c2cc(c(OC)cc2O)S(=O)(=O)[O-])c(O)c1,[Na+].COc1ccc(C(=O)c2cc(c(OC)cc2O)S(=O)(=O)[O-])c(O)c1,"InChI=1/C15H14O8S.Na/c1-22-8-3-4-9(11(16)5-8)15(18)10-6-14(24(19,20)21)13(23-2)7-12(10)17;/h3-7,16-17H,1-2H3,(H,19,20,21);/q;+1/p-1",C15H14O8S.Na,,,,,,NHZIBLPDGIARQC-UHFFFAOYSA-M,,,,,,,,,,,
100.019.547,221-501-2,3121-74-2,"4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-(phenylazo)naphthalene-2,7-disulphonic acid","4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccccc3)c4O)S(O)(=O)=O,[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccccc3)c4O)S(O)(=O)=O,"InChI=1/C22H16N6O9S2/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37)",C22H16N6O9S2,,,,,,HKJKONMZMPUGHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.548,221-502-8,3122-88-1,"5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-benzopyrone","5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-chromen-4-one",COc1ccc(cc1)C2=CC(=O)c3c(O)c(C)c(OC)c(C)c3O2,COc1ccc(cc1)C2=CC(=O)c3c(O)c(C)c(OC)c(C)c3O2,"InChI=1/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3",C19H18O5,,,,,,NHMMAMIRMITGRD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.549,221-503-3,3123-13-5,N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide,N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide,CC(=O)NC(CO)C(=O)c1ccc(cc1)[N+](=O)[O-],CC(=O)NC(CO)C(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H12N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10,14H,6H2,1H3,(H,12,15)",C11H12N2O5,,,,,,MXTCOGZRSFDQTK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.553,221-508-0,3126-80-5,"Tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate","tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate",CCCCC(CC)COC(=O)c1cc(C(=O)OCC(CC)CCCC)c(cc1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)c1cc(C(=O)OCC(CC)CCCC)c(cc1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC,"InChI=1/C42H70O8/c1-9-17-21-31(13-5)27-47-39(43)35-25-37(41(45)49-29-33(15-7)23-19-11-3)38(42(46)50-30-34(16-8)24-20-12-4)26-36(35)40(44)48-28-32(14-6)22-18-10-2/h25-26,31-34H,9-24,27-30H2,1-8H3",C42H70O8,,,,,,GNCDUZFXTFAOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.554,221-509-6,3126-95-2,(propoxymethyl)oxirane,2-(propoxymethyl)oxirane,CCCOCC1CO1,CCCOCC1CO1,"InChI=1/C6H12O2/c1-2-3-7-4-6-5-8-6/h6H,2-5H2,1H3",C6H12O2,,,,,,CWNOEVURTVLUNV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.560,221-515-9,3129-91-7,Dicyclohexylammonium nitrite,N-cyclohexylcyclohexanaminium nitrite,[O-]N=O.C1CCC(CC1)[NH2+]C2CCCCC2,[O-]N=O.C1CCC(CC1)[NH2+]C2CCCCC2,"InChI=1/C12H23N.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h11-13H,1-10H2;(H,2,3)",C12H23N.HNO2,,,,,,ZFAKTZXUUNBLEB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.562,221-518-5,3130-19-6,"Bis[(3,4-epoxycyclohexyl)methyl] adipate",bis(7-oxabicyclo[4.1.0]hept-3-ylmethyl) adipate,O=C(CCCCC(=O)OCC1CCC2OC2C1)OCC3CCC4OC4C3,O=C(CCCCC(=O)OCC1CCC2OC2C1)OCC3CCC4OC4C3,"InChI=1/C20H30O6/c21-19(23-11-13-5-7-15-17(9-13)25-15)3-1-2-4-20(22)24-12-14-6-8-16-18(10-14)26-16/h13-18H,1-12H2",C20H30O6,,,,,,DJUWPHRCMMMSCV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.569,221-525-3,3132-64-7,"1-bromo-2,3-epoxypropane",2-(bromomethyl)oxirane,BrCC1CO1,BrCC1CO1,"InChI=1/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2",C3H5BrO,,,,,,GKIPXFAANLTWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.571,221-527-4,5/01/3133,Tricosan-1-ol,tricosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C23H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2-23H2,1H3",C23H48O,,,,,,FPLNRAYTBIFSFW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.573,221-530-0,3134-66-5,S-propyl hexahydro-1H-azepine-1-carbothioate,S-propyl azepane-1-carbothioate,CCCSC(=O)N1CCCCCC1,CCCSC(=O)N1CCCCCC1,"InChI=1/C10H19NOS/c1-2-9-13-10(12)11-7-5-3-4-6-8-11/h2-9H2,1H3",C10H19NOS,,,,,,CCHAJHCNTVMJPW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.575,221-532-1,3135-18-0,"Dioctadecyl [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate","dioctadecyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate",CCCCCCCCCCCCCCCCCCOP(=O)(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOP(=O)(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)OCCCCCCCCCCCCCCCCCC,"InChI=1/C51H97O4P/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-54-56(53,45-46-43-47(50(3,4)5)49(52)48(44-46)51(6,7)8)55-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h43-44,52H,9-42,45H2,1-8H3",C51H97O4P,,,,,,SAJFQHPVIYPPEY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.721,231-593-6,7646-88-0,Ammonium trichloroacetate,ammonium trichloroacetate,[NH4+].[O-]C(=O)C(Cl)(Cl)Cl,[NH4+].[O-]C(=O)C(Cl)(Cl)Cl,"InChI=1/C2HCl3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3",C2HCl3O2.H3N,,,,,,MHMUIIBVMBOAON-UHFFFAOYSA-N,,,,,,,,,,,
100.028.722,231-594-1,7646-93-7,Potassium hydrogensulphate,sulfuric acid,OS(=O)(=O)O,OS(=O)(=O)O,"InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",H2O4S.K,,,,,,QAOWNCQODCNURD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.725,231-597-8,7647-13-4,Ammonium prop-2-enesulphonate,ammonium prop-2-ene-1-sulfonate,[NH4+].[O-]S(=O)(=O)CC=C,[NH4+].[O-]S(=O)(=O)CC=C,"InChI=1/C3H6O3S.H3N/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);1H3",C3H6O3S.H3N,,,,,,URDBDUGGLGARJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.729,231-601-8,7647-18-9,Antimony pentachloride,-,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[SbH3+3],[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[SbH3+3],InChI=1/5ClH.Sb.3H/h5*1H;;;;/q;;;;;+3;;;/p-5/r5ClH.H3Sb/h5*1H;1H3/q;;;;;+3/p-5,Cl5Sb,,,,,,KUGFODPTKMDJNG-UHFFFAOYSA-I,,,,,,,,,,,
100.026.612,229-273-6,1/01/6460,Trisodium 4-hydroxy-7-[[[[5-hydroxy-7-sulfonato-6-[(o-tolyl)azo]-2-naphthyl]amino]carbonyl]amino]-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate,trisodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methylphenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc7c(c5)cc(c(N=Nc6ccccc6C)c7O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc7c(c5)cc(c(N=Nc6ccccc6C)c7O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C38H28N6O12S3.3Na/c1-20-4-2-3-5-31(20)42-44-35-33(59(54,55)56)19-24-16-26(10-13-30(24)37(35)46)40-38(47)39-25-9-12-29-23(15-25)18-32(58(51,52)53)34(36(29)45)43-41-27-8-6-22-17-28(57(48,49)50)11-7-21(22)14-27;;;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C38H28N6O12S3.3Na,,,,,,ATRALPSKQPQOTB-UHFFFAOYSA-K,,,,,,,,,,,
100.026.620,229-282-5,6465-95-8,3-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde,3-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde,CC1C2CC(C=C2)C1C=O,CC1C2CC(C=C2)C1C=O,"InChI=1/C9H12O/c1-6-7-2-3-8(4-7)9(6)5-10/h2-3,5-9H,4H2,1H3",C9H12O,,,,,,ZZQYFYSMSNWWNS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.623,229-285-1,6469-35-8,4-methylthiazole-5-propanol,"3-(4-methyl-1,3-thiazol-5-yl)propan-1-ol",Cc1ncsc1CCCO,Cc1ncsc1CCCO,"InChI=1/C7H11NOS/c1-6-7(3-2-4-9)10-5-8-6/h5,9H,2-4H2,1H3",C7H11NOS,,,,,,RCYGJEJBLJTNJE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.251,231-076-5,7432-23-7,N-L-<U+03B3>-glutamyl-L-tyrosine,gamma-glutamyl-L-tyrosine,N[C@@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O,N[C@@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O,"InChI=1/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)",C14H18N2O6,,,,,,VVLXCWVSSLFQDS-QWRGUYRKSA-N,,,,,,,,,,,
100.028.252,231-077-0,7432-24-8,N-L-<U+03B3>-glutamyl-3-phenyl-L-alanine,gamma-glutamyl-L-phenylalanine,N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,"InChI=1/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)",C14H18N2O5,,,,,,XHHOHZPNYFQJKL-QWRGUYRKSA-N,,,,,,,,,,,
100.028.261,231-087-5,7435-83-8,"3-(chloromethyl)-1,2,4,5-tetramethylbenzene","3-(chloromethyl)-1,2,4,5-tetramethylbenzene",Cc1cc(C)c(C)c(CCl)c1C,Cc1cc(C)c(C)c(CCl)c1C,"InChI=1/C11H15Cl/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5H,6H2,1-4H3",C11H15Cl,,,,,,UGAPPXGBBWAIGT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.268,231-094-3,7439-69-2,Dibutyl [(diethylamino)carbonyl]phosphonate,dibutyl [(diethylamino)carbonyl]phosphonate,CCCCOP(=O)(OCCCC)C(=O)N(CC)CC,CCCCOP(=O)(OCCCC)C(=O)N(CC)CC,"InChI=1/C13H28NO4P/c1-5-9-11-17-19(16,18-12-10-6-2)13(15)14(7-3)8-4/h5-12H2,1-4H3",C13H28NO4P,,,,,,VIZPJAFCJKGFQB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.269,231-095-9,7439-88-5,Iridium,iridium(3+),[Ir],[Ir],InChI=1/Ir/q+3,Ir,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17763,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.269,GKOZUEZYRPOHIO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.274,231-102-5,7439-93-2,Lithium,lithium,[LiH],[LiH],InChI=1/Li.H/q+1;/rHLi/h1H/q+1,Li,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14178,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.274,SIAPCJWMELPYOE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.279,231-107-2,7439-98-7,Molybdenum,molybdenum(2+),[Mo],[Mo],InChI=1/Mo/q+2,Mo,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15524,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.279,ZOKXTWBITQBERF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.280,231-108-8,7439-99-8,Neptunium,neptunium(3+),[Np],[Np],InChI=1/Np/q+3,Np,,,,,,LFNLGNPSGWYGGD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.281,231-109-3,7440-00-8,Neodymium,neodymium,[Nd],[Nd],InChI=1/Nd/q+3,Nd,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14409,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.281,QEFYFXOXNSNQGX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.178,217-795-7,5/06/1956,4-nitrophenyl propionate,4-nitrophenyl propionate,CCC(=O)Oc1ccc(cc1)[N+](=O)[O-],CCC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H9NO4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h3-6H,2H2,1H3",C9H9NO4,,,,,,DCQWRDUXRZSWHI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.188,217-806-5,1963-21-9,Glycylvaline,glycylvaline,CC(C)C(NC(=O)CN)C(=O)O,CC(C)C(NC(=O)CN)C(=O)O,"InChI=1/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)",C7H14N2O3,,,,,,STKYPAFSDFAEPH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.189,217-807-0,1963-36-6,4-methoxycinnamaldehyde,3-(4-methoxyphenyl)acrylaldehyde,COc1ccc(\\C=C\\C=O)cc1,COc1ccc(\C=C\C=O)cc1,"InChI=1/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3",C10H10O2,,,,,,AXCXHFKZHDEKTP-NSCUHMNNSA-N,,,,,,,,,,,
100.016.192,217-810-7,1965-19-1,"4,5-dihydro-2-(2-methoxyphenyl)-1H-imidazole","2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole",COc1ccccc1C2=NCCN2,COc1ccccc1C2=NCCN2,"InChI=1/C10H12N2O/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H,11,12)",C22H18N2O,,,,,,TXONMTHZPYUUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.193,217-811-2,1965-29-3,2-(2-(2-aminoethylamino)ethylamino)ethanol,2-({2-[(2-aminoethyl)amino]ethyl}amino)ethanol,NCCNCCNCCO,NCCNCCNCCO,"InChI=1/C6H17N3O/c7-1-2-8-3-4-9-5-6-10/h8-10H,1-7H2",C6H17N3O,,,,,,HVOBSBRYQIYZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.194,217-812-8,1965-81-7,"1,1'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)diimino]bisanthraquinone","1,1'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)diimino]di(9,10-anthraquinone)",O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Oc8ccccc8)n4)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Oc8ccccc8)n4)cccc13,"InChI=1/C37H21N5O5/c43-31-21-12-4-6-14-23(21)33(45)29-25(31)16-8-18-27(29)38-35-40-36(42-37(41-35)47-20-10-2-1-3-11-20)39-28-19-9-17-26-30(28)34(46)24-15-7-5-13-22(24)32(26)44/h1-19H,(H2,38,39,40,41,42)",C37H21N5O5,,,,,,IBVZVLHYMNSMOT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.203,217-822-2,3/05/1973,"N,N',N''-triphenyl-1,3,5-triazine-2,4,6-triamine","N,N',N''-triphenyl-1,3,5-triazine-2,4,6-triamine",N(c1ccccc1)c2nc(Nc3ccccc3)nc(Nc4ccccc4)n2,N(c1ccccc1)c2nc(Nc3ccccc3)nc(Nc4ccccc4)n2,"InChI=1/C21H18N6/c1-4-10-16(11-5-1)22-19-25-20(23-17-12-6-2-7-13-17)27-21(26-19)24-18-14-8-3-9-15-18/h1-15H,(H3,22,23,24,25,26,27)",C21H18N6,,,,,,GGHBKCSNURXPNB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.204,217-823-8,1973-22-4,o-bromoethylbenzene,(1-bromoethyl)benzene,CC(Br)c1ccccc1,CC(Br)c1ccccc1,"InChI=1/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3",C8H9Br,,,,,,CRRUGYDDEMGVDY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.208,217-828-5,1975-51-5,4-nitro-o-toluic acid,2-methyl-4-nitrobenzoic acid,Cc1cc(ccc1C(=O)O)[N+](=O)[O-],Cc1cc(ccc1C(=O)O)[N+](=O)[O-],"InChI=1/C8H7NO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)",C8H7NO4,,,,,,XXXOBNJIIZQSPT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.527,221-479-4,3113-71-1,4-nitro-m-toluic acid,3-methyl-4-nitrobenzoic acid,Cc1cc(ccc1[N+](=O)[O-])C(=O)O,Cc1cc(ccc1[N+](=O)[O-])C(=O)O,"InChI=1/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO4,,,,,,XDTTUTIFWDAMIX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.528,221-481-5,3113-72-2,6-nitro-p-toluic acid,4-methyl-2-nitrobenzoic acid,Cc1ccc(C(=O)O)c(c1)[N+](=O)[O-],Cc1ccc(C(=O)O)c(c1)[N+](=O)[O-],"InChI=1/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO4,,,,,,KZLLSSGOPIGKDO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.529,221-482-0,3114-55-4,Chloro(2H5)benzene,chlorobenzene,Clc1ccccc1,Clc1ccccc1,InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H,C6ClD5,,,,,,MVPPADPHJFYWMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.532,221-485-7,3115-39-7,Dioctyl hydrogen phosphate,dioctyl hydrogen phosphate,CCCCCCCCOP(=O)(O)OCCCCCCCC,CCCCCCCCOP(=O)(O)OCCCCCCCC,"InChI=1/C16H35O4P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)",C16H35O4P,,,,,,HTDKEJXHILZNPP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.551,221-505-4,4/01/3124,Hexaphenyldiplumbane,hexaphenyldiplumbane,c1ccc(cc1)[Pb](c2ccccc2)(c3ccccc3)[Pb](c4ccccc4)(c5ccccc5)c6ccccc6,c1ccc(cc1)[Pb](c2ccccc2)(c3ccccc3)[Pb](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/6C6H5.2Pb/c6*1-2-4-6-5-3-1;;/h6*1-5H;;/rC36H30Pb2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",C36H30Pb2,,,,,,SOLOHWWGJALNFO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.552,221-507-5,3126-63-4,"1,3-bis(2,3-epoxypropoxy)-2,2-bis[(2,3-epoxypropoxy)methyl]propane","2-({3-(oxiran-2-ylmethoxy)-2,2-bis[(oxiran-2-ylmethoxy)methyl]propoxy}methyl)oxirane",C(OCC(COCC1CO1)(COCC2CO2)COCC3CO3)C4CO4,C(OCC(COCC1CO1)(COCC2CO2)COCC3CO3)C4CO4,"InChI=1/C17H28O8/c1(13-5-22-13)18-9-17(10-19-2-14-6-23-14,11-20-3-15-7-24-15)12-21-4-16-8-25-16/h13-16H,1-12H2",C17H28O8,,,,,,PLDLPVSQYMQDBL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.559,221-514-3,3129-43-9,17ß-hydroxyandrost-4-en-3-one valerate,3-oxoandrost-4-en-17-yl valerate,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C24H36O3/c1-4-5-6-22(26)27-21-10-9-19-18-8-7-16-15-17(25)11-13-23(16,2)20(18)12-14-24(19,21)3/h15,18-21H,4-14H2,1-3H3",C24H36O3,,,,,,UCNQPYVHDCHENM-CGRIZKAYSA-N,,,,,,,,,,,
100.025.563,228-119-5,6138-41-6,3-carboxy-1-methylpyridinium chloride,3-carboxy-1-methylpyridinium chloride,[Cl-].C[n+]1cccc(c1)C(=O)O,[Cl-].C[n+]1cccc(c1)C(=O)O,"InChI=1/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H",C7H8NO2.Cl,,,,,,TZSYLWAXZMNUJB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.566,228-122-1,6138-85-8,"4-(2,6,6-trimethylcyclohexyl)butan-2-one","4-(2,2,6-trimethylcyclohexyl)butan-2-one",CC1CCCC(C)(C)C1CCC(=O)C,CC1CCCC(C)(C)C1CCC(=O)C,"InChI=1/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3",C13H24O,,,,,,PQCDGQHNORPNBR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.571,228-127-9,6140-75-6,Heptadecyl methacrylate,heptadecyl methacrylate,CCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(22)20(2)3/h2,4-19H2,1,3H3",C21H40O2,,,,,,PAIQEFSJYGYULU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.572,228-128-4,6140-88-1,Hexadecane-1-sulphonic acid,hexadecane-1-sulfonic acid,CCCCCCCCCCCCCCCCS(=O)(=O)O,CCCCCCCCCCCCCCCCS(=O)(=O)O,"InChI=1/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)",C16H34O3S,,,,,,SSILHZFTFWOUJR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.577,228-134-7,6141-98-6,Benzo[c]cinnoline 5-oxide,benzo[c]cinnoline 5-oxide,[O-][n+]1nc2ccccc2c3ccccc13,[O-][n+]1nc2ccccc2c3ccccc13,InChI=1/C12H8N2O/c15-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-14/h1-8H,C12H8N2O,,,,,,JFIBBBQSFGWTPH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.753,231-628-5,7659-95-2,"[S-(R*,R*)]-4-[2-[2-carboxy-5-(ß-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid","4-{2-[2-carboxy-5-(hexopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indol-1-yl]vinyl}-2,3-dihydropyridine-2,6-dicarboxylic acid",OCC1OC(Oc2cc3CC(N(C=CC4=CC(=NC(C4)C(=O)O)C(=O)O)c3cc2O)C(=O)O)C(O)C(O)C1O,OCC1OC(Oc2cc3CC(N(C=CC4=CC(=NC(C4)C(=O)O)C(=O)O)c3cc2O)C(=O)O)C(O)C(O)C1O,"InChI=1/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)",C24H26N2O13,,,,,,CTMLKIKAUFEMLE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.758,231-633-2,7664-38-2,Orthophosphoric acid,phosphoric acid,OP(=O)(O)O,OP(=O)(O)O,"InChI=1/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",H3O4P,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15531,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.758,NBIIXXVUZAFLBC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.763,231-639-5,7664-93-9,Sulphuric acid,sulfuric acid,OS(=O)(=O)O,OS(=O)(=O)O,"InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",H2O4S,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16122,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.763,QAOWNCQODCNURD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.767,231-643-7,7667-80-3,Hexacontane,hexacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C60H122/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3",C60H122,,,,,,OCWUCHKZAHTZAB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.768,231-644-2,7669-54-7,o-nitrobenzenesulphenyl chloride,2-nitrobenzenesulfenyl chloride,[O-][N+](=O)c1ccccc1SCl,[O-][N+](=O)c1ccccc1SCl,InChI=1/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H,C6H4ClNO2S,,,,,,NTNKNFHIAFDCSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.776,231-653-1,7675-53-8,"1-[(2-nitrophenyl)thio]-L-proline, compound with dicyclohexylamine (1:1)",1-[(2-nitrophenyl)sulfanyl]-L-proline - N-cyclohexylcyclohexanamine (1:1),OC(=O)[C@@H]1CCCN1Sc2ccccc2[N+](=O)[O-].C3CCC(CC3)NC4CCCCC4,OC(=O)[C@@H]1CCCN1Sc2ccccc2[N+](=O)[O-].C3CCC(CC3)NC4CCCCC4,"InChI=1/C12H23N.C11H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;14-11(15)9-5-3-7-12(9)18-10-6-2-1-4-8(10)13(16)17/h11-13H,1-10H2;1-2,4,6,9H,3,5,7H2,(H,14,15)",C12H23N.C11H12N2O4S,,,,,,CRIOJTHVCCENRP-NPULLEENSA-N,,,,,,,,,,,
100.028.779,231-656-8,7675-83-4,"L-aspartic acid, compound with L-arginine (1:1)",L-arginine - L-aspartic acid (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C6H14N4O2.C4H7NO4/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,1,5H2,(H,6,7)(H,8,9)",C6H14N4O2.C4H7NO4,,,,,,SUUWYOYAXFUOLX-ZBRNBAAYSA-N,,,,,,,,,,,
100.028.782,231-659-4,7681-11-0,Potassium iodide,potassium iodide,[K+].[I-],[K+].[I-],InChI=1/HI.K/h1H;/q;+1/p-1,IK,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13207,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.782,NLKNQRATVPKPDG-UHFFFAOYSA-M,,,,,,,,,,,
100.028.784,231-662-0,7681-15-4,Propyl nicotinate,propyl nicotinate,CCCOC(=O)c1cccnc1,CCCOC(=O)c1cccnc1,"InChI=1/C9H11NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3",C9H11NO2,,,,,,CLAOCVVWIKGTOP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.791,231-669-9,7681-53-0,Sodium phosphinate,sodium phosphinate,[Na+].[O-]P=O,[Na+].[O-]P=O,"InChI=1/Na.HO2P/c;1-3-2/h;(H,1,2)/q+1;/p-1",H3O2P.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15162,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.791,ZGKNDXOLMOFEJH-UHFFFAOYSA-M,,,,,,,,,,,
100.013.333,214-666-7,1184-55-0,Zinc methanolate,zinc dimethanolate,[Zn+2].C[O-].C[O-],[Zn+2].C[O-].C[O-],InChI=1/2CH3O.Zn/c2*1-2;/h2*1H3;/q2*-1;+2,CH4O.1/2Zn,,,,,,JXNCWJJAQLTWKR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.592,218-251-1,2094-69-1,Benzyl pivalate,benzyl pivalate,CC(C)(C)C(=O)OCc1ccccc1,CC(C)(C)C(=O)OCc1ccccc1,"InChI=1/C12H16O2/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3",C12H16O2,,,,,,QCFKLVCBTZKWGY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.605,218-265-8,2100-17-6,Pent-4-enal,pent-4-enal,C=CCCC=O,C=CCCC=O,"InChI=1/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",C5H8O,,,,,,QUMSUJWRUHPEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.609,218-270-5,2102-59-2,(1R-cis)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-ol,5-isopropenyl-2-methylcyclohex-2-en-1-ol,CC(=C)[C@@H]1CC=C(C)[C@H](O)C1,CC(=C)[C@@H]1CC=C(C)[C@H](O)C1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C10H16O,,,,,,BAVONGHXFVOKBV-NXEZZACHSA-N,,,,,,,,,,,
100.016.612,218-273-1,2103-73-3,"3,6-bis[(5-chloro-2-hydroxy-3-sulphophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid","3,6-bis[(5-chloro-2-hydroxy-3-sulfophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid",Clc4cc(c(O)c(N=Nc3c(cc2cc(c(N=Nc1cc(Cl)cc(c1O)S(O)(=O)=O)c(O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O,Clc4cc(c(O)c(N=Nc3c(cc2cc(c(N=Nc1cc(Cl)cc(c1O)S(O)(=O)=O)c(O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O,"InChI=1/C22H14Cl2N4O16S4/c23-8-3-10(19(29)14(5-8)47(39,40)41)25-27-17-12(45(33,34)35)1-7-2-13(46(36,37)38)18(22(32)16(7)21(17)31)28-26-11-4-9(24)6-15(20(11)30)48(42,43)44/h1-6,29-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)",C22H14Cl2N4O16S4,,,,,,XDNFKABIVXQRES-UHFFFAOYSA-N,,,,,,,,,,,
100.016.613,218-274-7,2103-88-0,4-phenylthiazole-2(3H)-thione,"4-phenyl-1,3-thiazole-2(3H)-thione",S=C1NC(=CS1)c2ccccc2,S=C1NC(=CS1)c2ccccc2,"InChI=1/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)",C9H7NS2,,,,,,CYCKHTAVNBPQDB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.619,218-281-5,2105-61-5,"1,2,4-trifluoro-5-nitrobenzene","1,2,4-trifluoro-5-nitrobenzene",[O-][N+](=O)c1cc(F)c(F)cc1F,[O-][N+](=O)c1cc(F)c(F)cc1F,InChI=1/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,C6H2F3NO2,,,,,,ROJNMGYMBLNTPK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.624,218-286-2,2106-50-5,2-chloro-4-fluoro-1-nitrobenzene,2-chloro-4-fluoro-1-nitrobenzene,[O-][N+](=O)c1ccc(F)cc1Cl,[O-][N+](=O)c1ccc(F)cc1Cl,InChI=1/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,C6H3ClFNO2,,,,,,KQOOFMWRLDRDAX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.292,216-820-9,1675-05-4,"Naphthalene-1,5-disulphonic acid, compound with S-[2-(diethylamino)ethyl] diphenyldithiocarbamate (1:2)","naphthalene-1,5-disulfonic acid - 2-(diethylamino)ethyl diphenyldithiocarbamate (1:2)",CCN(CC)CCSC(=S)N(c1ccccc1)c2ccccc2.CCN(CC)CCSC(=S)N(c3ccccc3)c4ccccc4.OS(=O)(=O)c5cccc6c(cccc56)S(=O)(=O)O,CCN(CC)CCSC(=S)N(c1ccccc1)c2ccccc2.CCN(CC)CCSC(=S)N(c3ccccc3)c4ccccc4.OS(=O)(=O)c5cccc6c(cccc56)S(=O)(=O)O,"InChI=1/2C19H24N2S2.C10H8O6S2/c2*1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*5-14H,3-4,15-16H2,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)",C19H24N2OS.1/2C10H8O6S2,,,,,,UEFKJUIPCKDPLK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.298,216-827-7,1676-75-1,N-[benzoxycarbonyl]-O-[tert-butyl]-L-serine,N-[(benzyloxy)carbonyl]-O-tert-butylserine,CC(C)(C)OCC(NC(=O)OCc1ccccc1)C(=O)O,CC(C)(C)OCC(NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C15H21NO5/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)",C15H21NO5,,,,,,TXDGEONUWGOCJG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.300,216-829-8,1677-27-6,"3H-benzo-1,2-dithiol-3-one","3H-1,2-benzodithiol-3-one",O=C1SSc2ccccc12,O=C1SSc2ccccc12,InChI=1/C7H4OS2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,C7H4OS2,,,,,,GZTYTTPPCAXUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.302,216-831-9,1677-87-8,"1-phenylethan-1-one (2,4-dinitrophenyl)hydrazone","1-(2,4-dinitrophenyl)-2-(1-phenylethylidene)hydrazine",[O-][N+](=O)c2ccc(NN=C(C)c1ccccc1)c(c2)[N+]([O-])=O,[O-][N+](=O)c2ccc(NN=C(C)c1ccccc1)c(c2)[N+]([O-])=O,"InChI=1/C14H12N4O4/c1-10(11-5-3-2-4-6-11)15-16-13-8-7-12(17(19)20)9-14(13)18(21)22/h2-9,16H,1H3",C14H12N4O4,,,,,,IMTAQIPVTJOORO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.309,216-839-2,1678-98-4,Isobutylcyclohexane,isobutylcyclohexane,CC(C)CC1CCCCC1,CC(C)CC1CCCCC1,"InChI=1/C10H20/c1-9(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3",C10H20,,,,,,FFROMNOQCNVNIH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.312,216-842-9,1679-08-9,"2,2-dimethylpropanethiol","2,2-dimethylpropane-1-thiol",CC(C)(C)CS,CC(C)(C)CS,"InChI=1/C5H12S/c1-5(2,3)4-6/h6H,4H2,1-3H3",C5H12S,,,,,,LSUXMVNABVPWMF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.316,216-847-6,1679-51-2,Cyclohex-3-ene-1-methanol,cyclohex-3-en-1-ylmethanol,OCC1CCC=CC1,OCC1CCC=CC1,"InChI=1/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2",C7H12O,,,,,,VEIYJWQZNGASMA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.321,216-852-3,1680-16-6,Butyl N-[(2-azido-1H-benzimidazol-1-yl)carbonyl]glycinate,butyl N-[(2-azido-1H-benzimidazol-1-yl)carbonyl]glycinate,CCCCOC(=O)CNC(=O)n1c(N=[N+]=[N-])nc2ccccc12,CCCCOC(=O)CNC(=O)n1c(N=[N+]=[N-])nc2ccccc12,"InChI=1/C14H16N6O3/c1-2-3-8-23-12(21)9-16-14(22)20-11-7-5-4-6-10(11)17-13(20)18-19-15/h4-7H,2-3,8-9H2,1H3,(H,16,22)",C14H16N6O3,,,,,,APKWSFXQFSKMEP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.322,216-853-9,1680-21-3,"1,2-ethanediylbis(oxy-2,1-ethanediyl) diacrylate","ethane-1,2-diylbis(oxyethane-2,1-diyl) bisacrylate",C=CC(=O)OCCOCCOCCOC(=O)C=C,C=CC(=O)OCCOCCOCCOC(=O)C=C,"InChI=1/C12H18O6/c1-3-11(13)17-9-7-15-5-6-16-8-10-18-12(14)4-2/h3-4H,1-2,5-10H2",C12H18O6,,,,,,INQDDHNZXOAFFD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.027,227-530-7,5873-20-1,Disodium 7-[(aminocarbonyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-(carbamoylamino)-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(N)=O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(N)=O)S([O-])(=O)=O,"InChI=1/C23H18N6O8S2.2Na/c24-23(31)25-17-7-10-19-13(11-17)12-20(39(35,36)37)21(22(19)30)29-28-15-3-1-14(2-4-15)26-27-16-5-8-18(9-6-16)38(32,33)34;;/h1-12,30H,(H3,24,25,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C23H18N6O8S2.2Na,,,,,,UCIAVFMGTWNMHG-UHFFFAOYSA-L,,,,,,,,,,,
100.025.029,227-532-8,5873-26-7,Disodium 7-(benzoylamino)-4-hydroxy-3-[[3-methyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-(benzoylamino)-4-hydroxy-3-({3-methyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc1ccc(cc1C)N=Nc3c(cc2cc(ccc2c3O)NC(=O)c4ccccc4)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc1ccc(cc1C)N=Nc3c(cc2cc(ccc2c3O)NC(=O)c4ccccc4)S([O-])(=O)=O)c(C)c5,"InChI=1/C31H25N5O8S2.2Na/c1-18-14-23(9-12-26(18)34-35-27-13-10-24(15-19(27)2)45(39,40)41)33-36-29-28(46(42,43)44)17-21-16-22(8-11-25(21)30(29)37)32-31(38)20-6-4-3-5-7-20;;/h3-17,37H,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C31H25N5O8S2.2Na,,,,,,NOGYRZIAOOBEPV-UHFFFAOYSA-L,,,,,,,,,,,
100.025.035,227-539-6,5874-97-5,Orciprenaline sulphate,"5-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,3-diol sulfate (salt)",CC(C)NCC(O)c1cc(O)cc(O)c1.OS(=O)(=O)O,CC(C)NCC(O)c1cc(O)cc(O)c1.OS(=O)(=O)O,"InChI=1/C11H17NO3.H2O4S/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)",C11H17NO3.1/2H2O4S,,,,,,KSADBGVWHQJPAL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.036,227-540-1,5874-98-6,Testosterone ketolaurate,3-oxoandrost-4-en-17-yl 3-oxododecanoate,CCCCCCCCCC(=O)CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCCCCCCCC(=O)CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C31H48O4/c1-4-5-6-7-8-9-10-11-23(32)21-29(34)35-28-15-14-26-25-13-12-22-20-24(33)16-18-30(22,2)27(25)17-19-31(26,28)3/h20,25-28H,4-19,21H2,1-3H3",C31H48O4,,,,,,LTGBMQYUNNUCHA-DQUDHZTESA-N,,,,,,,,,,,
100.025.038,227-542-2,5875-24-1,3-chloropropionamide,3-chloropropanamide,NC(=O)CCCl,NC(=O)CCCl,"InChI=1/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)",C3H6ClNO,,,,,,JQDXZJYAUSVHDH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.042,227-546-4,5877-55-4,N-benzylidene-o-toluidine,N-benzylidene-2-methylaniline,Cc2ccccc2N=Cc1ccccc1,Cc2ccccc2N=Cc1ccccc1,"InChI=1/C14H13N/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-11H,1H3",C14H13N,,,,,,PUUAIRXOPHLROM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.047,227-552-7,5878-49-9,"1-[[3,4-bis(benzoyloxy)phenyl]methyl]isoquinoline-6,7-diyl dibenzoate","1-[3,4-bis(benzoyloxy)benzyl]isoquinoline-6,7-diyl dibenzoate",O=C(Oc1ccc(Cc2nccc3cc(OC(=O)c4ccccc4)c(OC(=O)c5ccccc5)cc23)cc1OC(=O)c6ccccc6)c7ccccc7,O=C(Oc1ccc(Cc2nccc3cc(OC(=O)c4ccccc4)c(OC(=O)c5ccccc5)cc23)cc1OC(=O)c6ccccc6)c7ccccc7,"InChI=1/C44H29NO8/c46-41(30-13-5-1-6-14-30)50-37-22-21-29(26-38(37)51-42(47)31-15-7-2-8-16-31)25-36-35-28-40(53-44(49)33-19-11-4-12-20-33)39(27-34(35)23-24-45-36)52-43(48)32-17-9-3-10-18-32/h1-24,26-28H,25H2",C44H29NO8,,,,,,MUCMXFLOPWXQCU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.048,227-553-2,5878-61-5,"7-(2-chloroethyl)-1,3-dimethyl-(1H,3H)-purine-2,6-dione","7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCCl)c2C1=O,CN1C(=O)N(C)c2ncn(CCCl)c2C1=O,"InChI=1/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3",C9H11ClN4O2,,,,,,QCIARNIKNKKHFH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.049,227-554-8,1/03/5882,1-[1-oxo-4-(1-pyrrolidinyl)butyl]pyrrolidine,"1,1'-(1-oxobutane-1,4-diyl)dipyrrolidine",O=C(CCCN1CCCC1)N2CCCC2,O=C(CCCN1CCCC1)N2CCCC2,InChI=1/C12H22N2O/c15-12(14-10-3-4-11-14)6-5-9-13-7-1-2-8-13/h1-11H2,C12H22N2O,,,,,,NJBNFNJNWNEJMR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.055,227-561-6,5888-33-5,"Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate",CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OC(=O)C=C,CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OC(=O)C=C,"InChI=1/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3",C13H20O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14494,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.055,PSGCQDPCAWOCSH-OUJBWJOFSA-N,,,,,,,,,,,
100.025.057,227-563-7,5888-87-9,"N,N'-hexane-1,6-diylbis(hexahydro-2-oxo-1H-azepine-1-carboxamide)","N,N'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)",O=C(NCCCCCCNC(=O)N1CCCCCC1=O)N2CCCCCC2=O,O=C(NCCCCCCNC(=O)N1CCCCCC1=O)N2CCCCCC2=O,"InChI=1/C20H34N4O4/c25-17-11-5-3-9-15-23(17)19(27)21-13-7-1-2-8-14-22-20(28)24-16-10-4-6-12-18(24)26/h1-16H2,(H,21,27)(H,22,28)",C20H34N4O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11096,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.057,YOVRNJUIHVNXCB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.058,227-564-2,5/06/5891,2-(decylamino)ethanethiol,2-(decylamino)ethanethiol,CCCCCCCCCCNCCS,CCCCCCCCCCNCCS,"InChI=1/C12H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h13-14H,2-12H2,1H3",C12H27NS,,,,,,WOWHRXFAFVDNAP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.060,227-566-3,1/09/5892,(benzoyloxy)oxobismuthine,(benzoyloxy)(oxo)bismuthine,O=[Bi]OC(=O)c1ccccc1,O=[Bi]OC(=O)c1ccccc1,"InChI=1/C7H6O2.Bi.O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;/q;+1;/p-1/rC7H5BiO3/c9-7(11-8-10)6-4-2-1-3-5-6/h1-5H",C7H5BiO3,,,,,,DELQWXXYVBRYIG-UHFFFAOYSA-M,,,,,,,,,,,
100.025.062,227-568-4,5892-15-9,3-(dibutylamino)propyl p-aminobenzoate monohydrochloride,3-(dibutylamino)propyl 4-aminobenzoate hydrochloride,Cl.CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,Cl.CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,"InChI=1/C18H30N2O2.ClH/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15,19H2,1-2H3;1H",C18H30N2O2.ClH,,,,,,GUAXDJUZQASKHH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.567,221-523-2,3131-32-6,Antazoline mesylate,"N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline methanesulfonate",CS(=O)(=O)O.C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3,CS(=O)(=O)O.C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3,"InChI=1/C17H19N3.CH4O3S/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);1H3,(H,2,3,4)",C17H19N3.CH4O3S,,,,,,PIEHFGHAWYGNCY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.568,221-524-8,3131-63-3,2-ethylbenzofuran,2-ethyl-1-benzofuran,CCc1oc2ccccc2c1,CCc1oc2ccccc2c1,"InChI=1/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3",C10H10O,,,,,,KJHYAEZMOHLVCH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.574,221-531-6,3134-70-1,S-isopropyl hexahydro-1H-azepine-1-carbothioate,S-isopropyl azepane-1-carbothioate,CC(C)SC(=O)N1CCCCCC1,CC(C)SC(=O)N1CCCCCC1,"InChI=1/C10H19NOS/c1-9(2)13-10(12)11-7-5-3-4-6-8-11/h9H,3-8H2,1-2H3",C10H19NOS,,,,,,LMHHRCOWPQNFTF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.579,218-237-5,6/08/2090,Barium di(toluene-4-sulphonate),barium bis(4-methylbenzenesulfonate),[Ba+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],[Ba+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C7H8O3S.Ba/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",C7H8O3S.1/2Ba,,,,,,JTRGEBZVNIQMHI-UHFFFAOYSA-L,,,,,,,,,,,
100.016.589,218-248-5,2092-56-0,Sodium 2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate],sodium 5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate,Cc1cc(N=Nc2c(O)ccc3ccccc23)c(cc1Cl)S(=O)(=O)O[Na],Cc1cc(N=Nc2c(O)ccc3ccccc23)c(cc1Cl)S(=O)(=O)O[Na],"InChI=1/C17H13ClN2O4S.Na/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2-9,21H,1H3,(H,22,23,24);/q;+1/p-1/rC17H12ClN2NaO4S/c1-10-8-14(16(9-13(10)18)26(23,24)25-21)19-20-17-12-5-3-2-4-11(12)6-7-15(17)22/h2-9,22H,1H3",C17H13ClN2O4S.Na,,,,,,LLELVHKMCSBMCX-UHFFFAOYSA-M,,,,,,,,,,,
100.016.591,218-250-6,2093-20-1,2-(2-hydroxyethoxy)ethyl acetate,2-(2-hydroxyethoxy)ethyl acetate,CC(=O)OCCOCCO,CC(=O)OCCOCCO,"InChI=1/C6H12O4/c1-6(8)10-5-4-9-3-2-7/h7H,2-5H2,1H3",C6H12O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18685,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.591,XXXFZKQPYACQLD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.593,218-252-7,2094-72-6,"Tricyclo(3.3.1.1'3,7)decane-1-carbonyl chloride",adamantane-1-carbonyl chloride,ClC(=O)C12CC3CC(CC(C3)C1)C2,ClC(=O)C12CC3CC(CC(C3)C1)C2,"InChI=1/C11H15ClO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2",C11H15ClO,,,,,,MIBQYWIOHFTKHD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.594,218-253-2,2094-73-7,"Ethyl tricyclo[3.3.1.13,7]decane-1-carboxylate",ethyl adamantane-1-carboxylate,CCOC(=O)C12CC3CC(CC(C3)C1)C2,CCOC(=O)C12CC3CC(CC(C3)C1)C2,"InChI=1/C13H20O2/c1-2-15-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3",C13H20O2,,,,,,SYEXGNJRYPOUSI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.596,218-255-3,4/01/2095,"2,6-diamino-3,5-diethyltoluene","4,6-diethyl-2-methylbenzene-1,3-diamine",CCc1cc(CC)c(N)c(C)c1N,CCc1cc(CC)c(N)c(C)c1N,"InChI=1/C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12/h6H,4-5,12-13H2,1-3H3",C11H18N2,,,,,,RQEOBXYYEPMCPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.601,218-261-6,2097-16-7,"1-ethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","1-ethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",CC[Si]12OCCN(CCO1)CCO2,CC[Si]12OCCN(CCO1)CCO2,"InChI=1/C8H17NO3Si/c1-2-13-10-6-3-9(4-7-11-13)5-8-12-13/h2-8H2,1H3",C8H17NO3Si,,,,,,BJMVMCLSNWRFSD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.602,218-262-1,2097-18-9,"1-vinyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","1-vinyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",C=C[Si]12OCCN(CCO1)CCO2,C=C[Si]12OCCN(CCO1)CCO2,"InChI=1/C8H15NO3Si/c1-2-13-10-6-3-9(4-7-11-13)5-8-12-13/h2H,1,3-8H2",C8H15NO3Si,,,,,,JETUZEFHWCTPQD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.607,218-267-9,2100-42-7,"1-chloro-2,5-dimethoxybenzene","2-chloro-1,4-dimethoxybenzene",COc1ccc(OC)c(Cl)c1,COc1ccc(OC)c(Cl)c1,"InChI=1/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3",C8H9ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1900,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.607,QMXZSRVFIWACJH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.611,218-272-6,2103-64-2,"3',4',5',6'-tetrahydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',4',5',6'-tetrahydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3c(O)c(O)ccc3C24OC(=O)c5ccccc45)c1O,Oc1ccc2c(Oc3c(O)c(O)ccc3C24OC(=O)c5ccccc45)c1O,"InChI=1/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H",C20H12O7,,,,,,PHLYOKFVXIVOJC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.614,218-275-2,2104-19-0,Methyl hydrogen azelate,9-methoxy-9-oxononanoic acid,COC(=O)CCCCCCCC(=O)O,COC(=O)CCCCCCCC(=O)O,"InChI=1/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)",C10H18O4,,,,,,VVWPSAPZUZXYCM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.615,218-276-8,2104-64-5,O-ethyl O-4-nitrophenyl phenylphosphonothioate,O-ethyl O-(4-nitrophenyl) phenylphosphonothioate,CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2,CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2,"InChI=1/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3",C14H14NO4PS,,,,,,AIGRXSNSLVJMEA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.334,214-667-2,1184-57-2,Methylmercury hydroxide,methylmercury(1+) hydroxide,[OH-].C[Hg+],[OH-].C[Hg+],InChI=1/CH3.Hg.H2O/h1H3;;1H2/q;+1;/p-1/rCH3Hg.H2O/c1-2;/h1H3;1H2/q+1;/p-1,CH4HgO,,,,,,KRZWEBVPFGCYMY-UHFFFAOYSA-M,,,,,,,,,,,
100.013.336,214-669-3,1184-60-7,2-fluoropropene,2-fluoroprop-1-ene,CC(=C)F,CC(=C)F,"InChI=1/C3H5F/c1-3(2)4/h1H2,2H3",C3H5F,,,,,,NGOCAPPEAVAHQM-UHFFFAOYSA-N,,,,,,,,,,,
100.013.339,214-673-5,1184-65-2,Trichlorogermane,trichlorogermane,Cl[Ge](Cl)Cl,Cl[Ge](Cl)Cl,InChI=1/Cl3Ge/c1-4(2)3/q+1,Cl3GeH,,,,,,YITSIQZHKDXQEI-UHFFFAOYSA-N,,,,,,,,,,,
100.013.343,214-677-7,1184-87-8,Sodium tribromoacetate,sodium tribromoacetate,[Na+].[O-]C(=O)C(Br)(Br)Br,[Na+].[O-]C(=O)C(Br)(Br)Br,"InChI=1/C2HBr3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HBr3O2.Na,,,,,,ULKADLGGTPAKSU-UHFFFAOYSA-M,,,,,,,,,,,
100.013.346,214-680-3,1185-29-1,2-ethyl-2-methylhexanoic acid,2-ethyl-2-methylhexanoic acid,CCCCC(C)(CC)C(=O)O,CCCCC(C)(CC)C(=O)O,"InChI=1/C9H18O2/c1-4-6-7-9(3,5-2)8(10)11/h4-7H2,1-3H3,(H,10,11)",C9H18O2,,,,,,LYIMSMCQBKXQDK-UHFFFAOYSA-N,,,,,,,,,,,
100.013.354,214-689-2,1186-11-4,3-(diethoxymethylsilyl)propiononitrile,3-[diethoxy(methyl)silyl]propanenitrile,CCO[Si](C)(CCC#N)OCC,CCO[Si](C)(CCC#N)OCC,"InChI=1/C8H17NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-6,8H2,1-3H3",C8H17NO2Si,,,,,,ITSZNKWGCBRYQB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.355,214-690-8,1186-46-5,"1,1-dimethylguanidinium sulphate","bis[amino(imino)-N,N-dimethylmethanaminium] sulfate",C[NH+](C)C(=N)N.C[NH+](C)C(=N)N.[O-]S(=O)(=O)[O-],C[NH+](C)C(=N)N.C[NH+](C)C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2C3H9N3.H2O4S/c2*1-6(2)3(4)5;1-5(2,3)4/h2*1-2H3,(H3,4,5);(H2,1,2,3,4)",C3H9N3.xH2O4S,,,,,,QSCHFHVDZCPIKX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.367,214-703-7,1187-93-5,Trifluoro(trifluoromethoxy)ethylene,"1,1,2-trifluoro-2-(trifluoromethoxy)ethene",FC(=C(F)OC(F)(F)F)F,FC(=C(F)OC(F)(F)F)F,"InChI=1/C3F6O/c4-1(5)2(6)10-3(7,8)9",C3F6O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13408,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.367,BLTXWCKMNMYXEA-UHFFFAOYSA-N,,,,,,,,,,,
100.013.372,214-708-4,1188-37-0,N-acetylglutamic acid,N-acetylglutamic acid,CC(=O)NC(CCC(=O)O)C(=O)O,CC(=O)NC(CCC(=O)O)C(=O)O,"InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)",C7H11NO5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16366,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.372,RFMMMVDNIPUKGG-UHFFFAOYSA-N,,,,,,,,,,,
100.013.373,214-710-5,1188-64-3,"3-hydroxypropane-1,2-diyl bis(dihydrogenphosphate)","3-hydroxypropane-1,2-diyl bis[dihydrogen (phosphate)]",OCC(COP(=O)(O)O)OP(=O)(O)O,OCC(COP(=O)(O)O)OP(=O)(O)O,"InChI=1/C3H10O9P2/c4-1-3(12-14(8,9)10)2-11-13(5,6)7/h3-4H,1-2H2,(H2,5,6,7)(H2,8,9,10)",C3H10O9P2,,,,,,IBPDKUYWDGDBQW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.375,215-812-2,1420-06-0,Trifenmorph,4-tritylmorpholine,C1CN(CCO1)C(c2ccccc2)(c3ccccc3)c4ccccc4,C1CN(CCO1)C(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2",C23H23NO,,,,,,ZJMLMBICUVVJDX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.383,215-821-1,1420-88-8,S-[2-(acetylamino)ethyl] ethanethioate,S-(2-acetamidoethyl) ethanethioate,CC(=O)NCCSC(=O)C,CC(=O)NCCSC(=O)C,"InChI=1/C6H11NO2S/c1-5(8)7-3-4-10-6(2)9/h3-4H2,1-2H3,(H,7,8)",C6H11NO2S,,,,,,UZLRPNHVKXCOHS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.060,219-865-2,7/05/2555,3-methylpyrrolidin-2-one,3-methylpyrrolidin-2-one,CC1CCNC1=O,CC1CCNC1=O,"InChI=1/C5H9NO/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)",C5H9NO,,,,,,AOCWQPKHSMJWPL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.064,219-869-4,2556-36-7,"1,4-diisocyanatocyclohexane","1,4-diisocyanatocyclohexane",O=C=NC1CCC(CC1)N=C=O,O=C=NC1CCC(CC1)N=C=O,"InChI=1/C8H10N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h7-8H,1-4H2",C8H10N2O2,,,,,,CDMDQYCEEKCBGR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.066,219-872-0,2556-46-9,"N,N'-diphenylbenzamidine","N,N'-diphenylbenzenecarboximidamide",N(=C(Nc1ccccc1)c2ccccc2)c3ccccc3,N(=C(Nc1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C19H16N2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,(H,20,21)",C19H16N2,,,,,,PMYWPCUIMGLRHO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.073,219-879-9,5/01/2561,"9-fluoro-11ß,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate)","4-[(9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid",CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)COC(=O)CCC(=O)O,CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)COC(=O)CCC(=O)O,"InChI=1/C25H31FO9/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32)",C25H31FO9,,,,,,LANLTRZXAVUOPI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.085,219-893-5,2565-43-7,5-allylbarbituric acid,"5-allylpyrimidine-2,4,6(1H,3H,5H)-trione",C=CCC1C(=O)NC(=O)NC1=O,C=CCC1C(=O)NC(=O)NC1=O,"InChI=1/C7H8N2O3/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2,4H,1,3H2,(H2,8,9,10,11,12)",C7H8N2O3,,,,,,JLXDSDWQIIJSHV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.323,216-854-4,1680-36-0,Nonan-1-oic anhydride,nonanoic anhydride,CCCCCCCCC(=O)OC(=O)CCCCCCCC,CCCCCCCCC(=O)OC(=O)CCCCCCCC,"InChI=1/C18H34O3/c1-3-5-7-9-11-13-15-17(19)21-18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C18H34O3,,,,,,PBBAFLCORNAZCD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.329,216-861-2,1681-96-5,N-formyl-L-glutamic acid,N-formyl-L-glutamic acid,OC(=O)CC[C@H](NC=O)C(=O)O,OC(=O)CC[C@H](NC=O)C(=O)O,"InChI=1/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H9NO5,,,,,,ADZLWSMFHHHOBV-BYPYZUCNSA-N,,,,,,,,,,,
100.015.336,216-869-6,1686-14-2,"2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane","2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane",CC1(C)C2CC3OC3(C)C1C2,CC1(C)C2CC3OC3(C)C1C2,"InChI=1/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18684,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.336,NQFUSWIGRKFAHK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.337,216-870-1,1686-22-2,Triethoxyoxovanadium,tris(ethanolato)(oxo)vanadium,CCO[V](=O)(OCC)OCC,CCO[V](=O)(OCC)OCC,"InChI=1/3C2H5O.O.V/c3*1-2-3;;/h3*2H2,1H3;;/q3*-1;;+3/rC6H15O4V/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",C6H15O4V,,,,,,IOHMVQGDVUCILM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.216,217-836-9,1978-61-6,"4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride","4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride",Cl.Fc1ccc(cc1)C2=CCNCC2,Cl.Fc1ccc(cc1)C2=CCNCC2,"InChI=1/C11H12FN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H",C11H12FN.ClH,,,,,,CTTBTYWBXXWBMU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.219,217-840-0,1981-58-4,Sulfadimidine sodium,-,[Na+].Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,[Na+].Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,"InChI=1/C12H14N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3,(H,14,15,16);/q;+1",C12H14N4O2S.Na,,,,,,JKGJENILJJEHOM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.223,217-844-2,1982-49-6,Siduron,1-(2-methylcyclohexyl)-3-phenylurea,CC1CCCCC1NC(=O)Nc2ccccc2,CC1CCCCC1NC(=O)Nc2ccccc2,"InChI=1/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)",C14H20N2O,,,,,,JXVIIQLNUPXOII-UHFFFAOYSA-N,,,,,,,,,,,
100.016.232,217-854-7,1984-60-7,2-hydroxyethyl phenoxyacetate,2-hydroxyethyl phenoxyacetate,OCCOC(=O)COc1ccccc1,OCCOC(=O)COc1ccccc1,"InChI=1/C10H12O4/c11-6-7-13-10(12)8-14-9-4-2-1-3-5-9/h1-5,11H,6-8H2",C10H12O4,,,,,,ZHOYGDJJZRTPRS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.239,217-862-0,1987-50-4,4-heptylphenol,4-heptylphenol,CCCCCCCc1ccc(O)cc1,CCCCCCCc1ccc(O)cc1,"InChI=1/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3",C13H20O,,,,,,KNDDEFBFJLKPFE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.242,217-865-7,1989-25-9,"p-chloro-a,a-dimethylbenzyl alcohol",2-(4-chlorophenyl)propan-2-ol,CC(C)(O)c1ccc(Cl)cc1,CC(C)(O)c1ccc(Cl)cc1,"InChI=1/C9H11ClO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3",C9H11ClO,,,,,,JQZCRSDZIWKYBF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.751,219-525-3,2454-37-7,1-(3-aminophenyl)ethanol,1-(3-aminophenyl)ethanol,CC(O)c1cccc(N)c1,CC(O)c1cccc(N)c1,"InChI=1/C8H11NO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,9H2,1H3",C8H11NO,,,,,,QPKNDHZQPGMLCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.752,219-526-9,1/04/2455,4-chlorobutyramide,4-chlorobutanamide,NC(=O)CCCCl,NC(=O)CCCCl,"InChI=1/C4H8ClNO/c5-3-1-2-4(6)7/h1-3H2,(H2,6,7)",C4H8ClNO,,,,,,XYOXIERJKILWCG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.753,219-527-4,2455-14-3,"3,3',5,5'-tetra-tert-butyl-4,4'-dibenzoquinone","3,3',5,5'-tetra-tert-butyl-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione",CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C,CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C,"InChI=1/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3",C28H40O2,,,,,,GQIGHOCYKUBBOE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.757,219-532-1,2456-27-1,Dinonyl ether,"1,1'-oxydinonane",CCCCCCCCCOCCCCCCCCC,CCCCCCCCCOCCCCCCCCC,"InChI=1/C18H38O/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",C18H38O,,,,,,DKZRLCHWDNEKRH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.758,219-533-7,2456-28-2,"1,1'-oxybisdecane","1,1'-oxydidecane",CCCCCCCCCCOCCCCCCCCCC,CCCCCCCCCCOCCCCCCCCCC,"InChI=1/C20H42O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",C20H42O,,,,,,LTSWUFKUZPPYEG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.760,219-535-8,4/01/2457,Barium bis(2-ethylhexanoate),barium bis(2-ethylhexanoate),[Ba+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ba+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Ba/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ba,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5957,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.760,VJFFDDQGMMQGTQ-UHFFFAOYSA-L,,,,,,,,,,,
100.017.761,219-536-3,5/02/2457,Strontium bis(2-ethylhexanoate),strontium bis(2-ethylhexanoate),[Sr+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Sr+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Sr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Sr,,,,,,DLWBHRIWCMOQKI-UHFFFAOYSA-L,,,,,,,,,,,
100.025.071,227-578-9,5895-45-4,Dipraseodymium tricarbonate,dipraseodymium tricarbonate,[Pr+3].[Pr+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Pr+3].[Pr+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Pr/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Pr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11003,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.071,XIRHLBQGEYXJKG-UHFFFAOYSA-H,,,,,,,,,,,
100.025.073,227-581-5,5895-47-6,Disamarium tricarbonate,disamarium tricarbonate,[Sm+2].[Sm+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Sm+2].[Sm+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Sm/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+2/p-6",CH2O3.2/3Sm,,,,,,RXTGTGLUXWWLKP-UHFFFAOYSA-H,,,,,,,,,,,
100.025.074,227-582-0,5895-48-7,Dieuropium tricarbonate,dieuropium tricarbonate,[Eu+2].[Eu+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Eu+2].[Eu+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Eu/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+2/p-6",CH2O3.2/3Eu,,,,,,PUWADSNVCVHKEM-UHFFFAOYSA-H,,,,,,,,,,,
100.024.672,227-139-1,5680-79-5,Methyl glycinate hydrochloride,methyl glycinate hydrochloride,Cl.COC(=O)CN,Cl.COC(=O)CN,"InChI=1/C3H7NO2.ClH/c1-6-3(5)2-4;/h2,4H2,1H3;1H",C3H7NO2.ClH,,,,,,COQRGFWWJBEXRC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.679,227-147-5,5683-33-0,"N,N-dimethylpyridin-2-amine","N,N-dimethylpyridin-2-amine",CN(C)c1ccccn1,CN(C)c1ccccn1,"InChI=1/C7H10N2/c1-9(2)7-5-3-4-6-8-7/h3-6H,1-2H3",C7H10N2,,,,,,PSHKMPUSSFXUIA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.684,227-152-2,3/06/5685,4-methylthiazole-2(3H)-thione,"4-methyl-1,3-thiazole-2(3H)-thione",CC1=CSC(=S)N1,CC1=CSC(=S)N1,"InChI=1/C4H5NS2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)",C4H5NS2,,,,,,NLHAIPFBNQZTMY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.688,227-156-4,5689-19-0,"a,a-dicyclopropylbenzyl alcohol",dicyclopropyl(phenyl)methanol,OC(C1CC1)(C2CC2)c3ccccc3,OC(C1CC1)(C2CC2)c3ccccc3,"InChI=1/C13H16O/c14-13(11-6-7-11,12-8-9-12)10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2",C13H16O,,,,,,FOGMKFIZSXPVNT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.689,227-158-5,5689-74-7,"1,3-diphenylpropylamine","1,3-diphenylpropan-1-amine",NC(CCc1ccccc1)c2ccccc2,NC(CCc1ccccc1)c2ccccc2,"InChI=1/C15H17N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2",C15H17N,,,,,,ABMVTYGGTMHHTN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.694,227-163-2,5694-00-8,Oxirane-2-carboxamide,oxirane-2-carboxamide,NC(=O)C1CO1,NC(=O)C1CO1,"InChI=1/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)",C3H5NO2,,,,,,FMAZQSYXRGRESX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.695,227-164-8,5694-72-4,"2-benzyl-1,3-dioxolan-4-ylmethanol","(2-benzyl-1,3-dioxolan-4-yl)methanol",OCC1COC(Cc2ccccc2)O1,OCC1COC(Cc2ccccc2)O1,"InChI=1/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2",C11H14O3,,,,,,ZPENOSKWEKGDCX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.696,227-165-3,5694-77-9,"2-cyclohexyl-2-methyl-1,3-dioxolane-4-methanol","(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol",CC1(OCC(CO)O1)C2CCCCC2,CC1(OCC(CO)O1)C2CCCCC2,"InChI=1/C11H20O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h9-10,12H,2-8H2,1H3",C11H20O3,,,,,,MNGGBXINICRUAP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.697,227-166-9,5694-82-6,"2-(2,6-dimethyl-1,5-heptadienyl)-1,3-dioxolane-4-methanol","[2-(2,6-dimethylhepta-1,5-dien-1-yl)-1,3-dioxolan-4-yl]methanol",C/C(C)=C\\CCC(C)=CC1OC(CO1)CO,C/C(C)=C\CCC(C)=CC1OC(CO1)CO,"InChI=1/C13H22O3/c1-10(2)5-4-6-11(3)7-13-15-9-12(8-14)16-13/h5,7,12-14H,4,6,8-9H2,1-3H3",C13H22O3,,,,,,PARQKBHRABMRKU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.703,227-173-7,5697-44-9,Tosylacetonitrile,[(4-methylphenyl)sulfonyl]acetonitrile,Cc1ccc(cc1)S(=O)(=O)CC#N,Cc1ccc(cc1)S(=O)(=O)CC#N,"InChI=1/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3",C9H9NO2S,,,,,,BBNNLJMGPASZPD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.708,227-178-4,5698-99-7,"Acenaphthene-5,6-dicarboxic acid","1,2-dihydroacenaphthylene-5,6-dicarboxylic acid",OC(=O)c1ccc2CCc3ccc(C(=O)O)c1c23,OC(=O)c1ccc2CCc3ccc(C(=O)O)c1c23,"InChI=1/C14H10O4/c15-13(16)9-5-3-7-1-2-8-4-6-10(14(17)18)12(9)11(7)8/h3-6H,1-2H2,(H,15,16)(H,17,18)",C14H10O4,,,,,,MCTYNCQPNKIMCL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.709,227-180-5,5699-40-1,N-(aminoiminomethyl)acetamide,N-carbamimidoylacetamide,CC(=O)NC(=N)N,CC(=O)NC(=N)N,"InChI=1/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7)",C3H7N3O,,,,,,NGGXACLSAZXJGM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.735,231-608-6,7650-89-7,Tribenzylphosphine,tribenzylphosphine,C(P(Cc1ccccc1)Cc2ccccc2)c3ccccc3,C(P(Cc1ccccc1)Cc2ccccc2)c3ccccc3,"InChI=1/C21H21P/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2",C21H21P,,,,,,IFXORIIYQORRMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.739,231-612-8,7651-82-3,Isoquinolin-6-ol,isoquinolin-6-ol,Oc1ccc2cnccc2c1,Oc1ccc2cnccc2c1,"InChI=1/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H",C9H7NO,,,,,,GPVPDRHTRGTSIH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.741,231-614-9,7651-88-9,Trimethylamine oxide hydrochloride,trimethylamine oxide hydrochloride,Cl.C[N+](C)(C)[O-],Cl.C[N+](C)(C)[O-],"InChI=1/C3H9NO.ClH/c1-4(2,3)5;/h1-3H3;1H",C3H9NO.ClH,,,,,,VVNNJNFUHFSPOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.618,218-279-4,2105-44-4,S-[2-[[(4-amino-2-methylpyrimidin-5-yl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]prop-1-en-1-yl] benzenecarbothioate monohydrochloride,4-{[(4-amino-2-methylpyrimidin-5-yl)acetyl]amino}-3-(benzoylsulfanyl)pent-3-en-1-yl benzoate hydrochloride,Cl.Nc3nc(C)ncc3CC(=O)NC(C)=C(CCOC(=O)c1ccccc1)SC(=O)c2ccccc2,Cl.Nc3nc(C)ncc3CC(=O)NC(C)=C(CCOC(=O)c1ccccc1)SC(=O)c2ccccc2,"InChI=1/C26H26N4O4S.ClH/c1-17(29-23(31)15-21-16-28-18(2)30-24(21)27)22(35-26(33)20-11-7-4-8-12-20)13-14-34-25(32)19-9-5-3-6-10-19;/h3-12,16H,13-15H2,1-2H3,(H,29,31)(H2,27,28,30);1H",C26H26N4O4S.ClH,,,,,,WKJRADNPDIGMME-UHFFFAOYSA-N,,,,,,,,,,,
100.016.620,218-282-0,7/02/2106,2-chloro-4-fluoroaniline,2-chloro-4-fluoroaniline,Nc1ccc(F)cc1Cl,Nc1ccc(F)cc1Cl,"InChI=1/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2",C6H5ClFN,,,,,,XRAKCYJTJGTSMM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.623,218-285-7,2106-49-2,1-chloro-2-fluoro-3-nitrobenzene,1-chloro-2-fluoro-3-nitrobenzene,[O-][N+](=O)c1cccc(Cl)c1F,[O-][N+](=O)c1cccc(Cl)c1F,InChI=1/C6H3ClFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,C6H3ClFNO2,,,,,,RBAHXNSORRGCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.289,216-817-2,1674-37-9,1-phenyloctan-1-one,1-phenyloctan-1-one,CCCCCCCC(=O)c1ccccc1,CCCCCCCC(=O)c1ccccc1,"InChI=1/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3",C14H20O,,,,,,UDEVCZRUNOLVLU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.290,216-818-8,1674-38-0,1-phenyldodecan-1-one,1-phenyldodecan-1-one,CCCCCCCCCCCC(=O)c1ccccc1,CCCCCCCCCCCC(=O)c1ccccc1,"InChI=1/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3",C18H28O,,,,,,DJNJZIFFCJTUDS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.291,216-819-3,1674-96-0,Phenglutarimide hydrochloride,"3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione hydrochloride",Cl.CCN(CC)CCC1(CCC(=O)NC1=O)c2ccccc2,Cl.CCN(CC)CCC1(CCC(=O)NC1=O)c2ccccc2,"InChI=1/C17H24N2O2.ClH/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21;/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21);1H",C17H24N2O2.ClH,,,,,,SYSHPMOZZLONAK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.299,216-828-2,1676-88-6,"Methyl (R)-2,5-dioxooxazolidine-4-propionate","methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate",COC(=O)CC[C@H]1NC(=O)OC1=O,COC(=O)CC[C@H]1NC(=O)OC1=O,"InChI=1/C7H9NO5/c1-12-5(9)3-2-4-6(10)13-7(11)8-4/h4H,2-3H2,1H3,(H,8,11)",C7H9NO5,,,,,,JRZZMWDRALHNFH-SCSAIBSYSA-N,,,,,,,,,,,
100.015.301,216-830-3,1677-46-9,4-hydroxy-1-methyl-2-quinolone,4-hydroxy-1-methylquinolin-2(1H)-one,CN1C(=O)C=C(O)c2ccccc12,CN1C(=O)C=C(O)c2ccccc12,"InChI=1/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3",C10H9NO2,,,,,,RTNPPPQVXREFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.303,216-832-4,1678-25-7,N-phenylbenzenesulphonamide,N-phenylbenzenesulfonamide,O=S(=O)(Nc1ccccc1)c2ccccc2,O=S(=O)(Nc1ccccc1)c2ccccc2,"InChI=1/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H",C12H11NO2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12350,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.303,XAUGWFWQVYXATQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.308,216-838-7,1678-97-3,"1,2,3-trimethylcyclohexane","1,2,3-trimethylcyclohexane",CC1CCCC(C)C1C,CC1CCCC(C)C1C,"InChI=1/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3",C9H18,,,,,,DQTVJLHNWPRPPH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.310,216-840-8,1679-02-3,"2,9-dimethylpicene","2,9-dimethylpicene",Cc1ccc2ccc3c4ccc5c(C)cccc5c4ccc3c2c1,Cc1ccc2ccc3c4ccc5c(C)cccc5c4ccc3c2c1,"InChI=1/C24H18/c1-15-6-7-17-8-9-20-22-11-10-18-16(2)4-3-5-19(18)21(22)12-13-23(20)24(17)14-15/h3-14H,1-2H3",C24H18,,,,,,NCVWVTLOKLZLJY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.315,216-846-0,1679-47-6,Alpha-methyl-<U+03B3>-butyrolactone,3-methyldihydrofuran-2(3H)-one,CC1CCOC1=O,CC1CCOC1=O,"InChI=1/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3",C5H8O2,,,,,,QGLBZNZGBLRJGS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.319,216-850-2,1679-81-8,2-(diethylamino)ethyl (benzylidene)phenylacetate hydrochloride,"2-(diethylamino)ethyl 2,3-diphenylacrylate hydrochloride",Cl.CCN(CC)CCOC(=O)C(=Cc1ccccc1)c2ccccc2,Cl.CCN(CC)CCOC(=O)C(=Cc1ccccc1)c2ccccc2,"InChI=1/C21H25NO2.ClH/c1-3-22(4-2)15-16-24-21(23)20(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18;/h5-14,17H,3-4,15-16H2,1-2H3;1H",C21H25NO2.ClH,,,,,,LAKXCKPSJXNQBV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.320,216-851-8,1679-98-7,"4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethylaniline]","4,4'-(1,3,4-oxadiazole-2,5-diyl)bis(N,N-diethylaniline)",CCN(CC)c1ccc(cc1)c2oc(nn2)c3ccc(cc3)N(CC)CC,CCN(CC)c1ccc(cc1)c2oc(nn2)c3ccc(cc3)N(CC)CC,"InChI=1/C22H28N4O/c1-5-25(6-2)19-13-9-17(10-14-19)21-23-24-22(27-21)18-11-15-20(16-12-18)26(7-3)8-4/h9-16H,5-8H2,1-4H3",C22H28N4O,,,,,,UZGVMZRBRRYLIP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.325,216-857-0,1681-10-3,6-methyl-1H-purin-2-amine,6-methyl-1H-purin-2-amine,Cc1[nH]c(N)nc2ncnc12,Cc1[nH]c(N)nc2ncnc12,"InChI=1/C6H7N5/c1-3-4-5(9-2-8-4)11-6(7)10-3/h2H,1H3,(H3,7,8,9,10,11)",C6H7N5,,,,,,AFWWNHLDHNSVSD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.327,216-859-1,1681-60-3,"Disodium 3-[(4-aminophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonate","disodium 3-[(4-aminophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c3c(c1)cc(c(N=Nc2ccc(N)cc2)c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c3c(c1)cc(c(N=Nc2ccc(N)cc2)c3O)S([O-])(=O)=O,"InChI=1/C16H13N3O8S2.2Na/c17-9-1-3-10(4-2-9)18-19-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(20)14(8)16(15)21;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C16H13N3O8S2.2Na,,,,,,BBWPEJUNPNPWJI-UHFFFAOYSA-L,,,,,,,,,,,
100.018.086,219-894-0,2565-47-1,1-methylbarbituric acid,"1-methylpyrimidine-2,4,6(1H,3H,5H)-trione",CN1C(=O)CC(=O)NC1=O,CN1C(=O)CC(=O)NC1=O,"InChI=1/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)",C5H6N2O3,,,,,,DCGGMHIZEAHUJL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.087,219-895-6,2565-58-4,Chloromethylphosphonic acid,(chloromethyl)phosphonic acid,OP(=O)(O)CCl,OP(=O)(O)CCl,"InChI=1/CH4ClO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)",CH4ClO3P,,,,,,MOFCYHDQWIZKMY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.095,219-903-8,2567-14-8,"1,1,3-trichloropropene","1,1,3-trichloroprop-1-ene",ClCC=C(Cl)Cl,ClCC=C(Cl)Cl,"InChI=1/C3H3Cl3/c4-2-1-3(5)6/h1H,2H2",C3H3Cl3,,,,,,JFEVIPGMXQNRRF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.100,219-909-0,2568-90-3,"1,1'-[methylenebis(oxy)]dibutane","1,1'-[methylenebis(oxy)]dibutane",CCCCOCOCCCC,CCCCOCOCCCC,"InChI=1/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3",C9H20O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11620,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.100,QLCJOAMJPCOIDI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.597,224-855-6,4524-77-0,"2-bromo-4,6-dichlorophenol","2-bromo-4,6-dichlorophenol",Oc1c(Cl)cc(Cl)cc1Br,Oc1c(Cl)cc(Cl)cc1Br,"InChI=1/C6H3BrCl2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H",C6H3BrCl2O,,,,,,FRPHJINKMDMSPH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.603,224-861-9,4525-46-6,Benzyltrimethylammonium iodide,"N,N,N-trimethyl(phenyl)methanaminium iodide",[I-].C[N+](C)(C)Cc1ccccc1,[I-].C[N+](C)(C)Cc1ccccc1,"InChI=1/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1",C10H16N.I,,,,,,LRRJQNMXIDXNIM-UHFFFAOYSA-M,,,,,,,,,,,
100.022.609,224-868-7,4531-53-7,5-chloro-1-methyl-1H-imidazolium nitrate,4-chloro-3-methyl-1H-imidazol-3-ium nitrate,C[n+]1c[nH]cc1Cl.[O-][N+](=O)[O-],C[n+]1c[nH]cc1Cl.[O-][N+](=O)[O-],"InChI=1/C4H5ClN2.NO3/c1-7-3-6-2-4(7)5;2-1(3)4/h2-3H,1H3;/q;-1/p+1",C4H5ClN2.HNO3,,,,,,VPQVBGBFWZOIEL-UHFFFAOYSA-O,,,,,,,,,,,
100.022.612,224-871-3,4533-89-5,"6a-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate","2-(12-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC23C,CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC23C,"InChI=1/C26H33FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h6-8,15-16,18-19,21-22,30H,9-12H2,1-5H3",C26H33FO7,,,,,,WEGNFRKBIKYVLC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.613,224-872-9,4533-92-0,"(Z)-1,1'-[vinylenebis(thio)]bispropane","1,1'-(ethene-1,2-diyldisulfanediyl)dipropane",CCCSC=CSCCC,CCCSC=CSCCC,"InChI=1/C8H16S2/c1-3-5-9-7-8-10-6-4-2/h7-8H,3-6H2,1-2H3",C8H16S2,,,,,,WERZWRCQQURDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.615,224-875-5,4533-96-4,4-chloro-2-nitrophenylsulphonyl chloride,4-chloro-2-nitrobenzenesulfonyl chloride,[O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)Cl,[O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)Cl,"InChI=1/C6H3Cl2NO4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H",C6H3Cl2NO4S,,,,,,LYESTQKHIPXVIK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.618,224-878-1,4534-74-1,4-ethylcyclohexanol,4-ethylcyclohexanol,CCC1CCC(O)CC1,CCC1CCC(O)CC1,"InChI=1/C8H16O/c1-2-7-3-5-8(9)6-4-7/h7-9H,2-6H2,1H3",C8H16O,,,,,,RVTKUJWGFBADIN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.619,224-879-7,4534-82-1,"Sodium 3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propionate","sodium 3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoate",[Na+].CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-],"InChI=1/C25H48N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29;/h2-23H2,1H3,(H,28,29);/q;+1/p-1",C25H48N2O3.Na,,,,,,TWUNGNNWCNQNRX-UHFFFAOYSA-M,,,,,,,,,,,
100.016.625,218-287-8,2107-69-9,"5,6-dimethoxyindan-1-one","5,6-dimethoxyindan-1-one",COc1cc2CCC(=O)c2cc1OC,COc1cc2CCC(=O)c2cc1OC,"InChI=1/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3",C11H12O3,,,,,,IHMQOBPGHZFGLC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.628,218-290-4,2107-77-9,"7,8-dihydroxy-4-methyl-2-benzopyrone","7,8-dihydroxy-4-methyl-2H-chromen-2-one",CC1=CC(=O)Oc2c(O)c(O)ccc12,CC1=CC(=O)Oc2c(O)c(O)ccc12,"InChI=1/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3",C10H8O4,,,,,,NWQBYMPNIJXFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.633,218-296-7,2109-45-7,2-[[(2-amino-5-chlorophenyl)phenylmethylene]amino]ethanol,2-{[(2-amino-5-chlorophenyl)(phenyl)methylene]amino}ethanol,Nc2ccc(Cl)cc2C(=NCCO)c1ccccc1,Nc2ccc(Cl)cc2C(=NCCO)c1ccccc1,"InChI=1/C15H15ClN2O/c16-12-6-7-14(17)13(10-12)15(18-8-9-19)11-4-2-1-3-5-11/h1-7,10,19H,8-9,17H2",C15H15ClN2O,,,,,,DRRPSTDRWJZCBV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.951,217-545-7,1884-68-0,Tetraphenylthiophene,tetraphenylthiophene,c1ccc(cc1)c2sc(c3ccccc3)c(c4ccccc4)c2c5ccccc5,c1ccc(cc1)c2sc(c3ccccc3)c(c4ccccc4)c2c5ccccc5,InChI=1/C28H20S/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20H,C28H20S,,,,,,MQFBWJOMLIHUDY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.953,217-547-8,1885-14-9,Phenyl chloroformate,phenyl chlorocarbonate,ClC(=O)Oc1ccccc1,ClC(=O)Oc1ccccc1,InChI=1/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,C7H5ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5352,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.953,AHWALFGBDFAJAI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.581,221-538-4,3138-86-1,"2,3-bis(bromomethyl)quinoxaline","2,3-bis(bromomethyl)quinoxaline",BrCc1nc2ccccc2nc1CBr,BrCc1nc2ccccc2nc1CBr,"InChI=1/C10H8Br2N2/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9/h1-4H,5-6H2",C10H8Br2N2,,,,,,LHKFFORGJVELPC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.584,221-542-6,3140-93-0,"2,3-dibromothiophene","2,3-dibromothiophene",Brc1ccsc1Br,Brc1ccsc1Br,InChI=1/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H,C4H2Br2S,,,,,,ATRJNSFQBYKFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.594,221-553-6,3144-09-0,Methanesulphonamide,methanesulfonamide,CS(=O)(=O)N,CS(=O)(=O)N,"InChI=1/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)",CH5NO2S,,,,,,HNQIVZYLYMDVSB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.608,221-568-8,3147-50-0,"2,6-dihydroxybenzamide","2,6-dihydroxybenzamide",NC(=O)c1c(O)cccc1O,NC(=O)c1c(O)cccc1O,"InChI=1/C7H7NO3/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3,9-10H,(H2,8,11)",C7H7NO3,,,,,,WFIWHFWPQQSJDD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.616,221-577-7,3148-90-1,3-ethyl-2-[2-[(3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methylbenzothiazolium iodide,"3-ethyl-2-{2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-methyl-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4cc(C)ccc4sc3C=C(CC)C=C2Sc1ccc(C)cc1N2CC,[I-].CC[n+]3c4cc(C)ccc4sc3C=C(CC)C=C2Sc1ccc(C)cc1N2CC,"InChI=1/C25H29N2S2.HI/c1-6-19(15-24-26(7-2)20-13-17(4)9-11-22(20)28-24)16-25-27(8-3)21-14-18(5)10-12-23(21)29-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1",C25H29N2S2.I,,,,,,BWTPJFDPMNWMCH-UHFFFAOYSA-M,,,,,,,,,,,
100.019.617,221-578-2,3149-00-6,1-butyl-3-(phenylsulphonyl)urea,N-(butylcarbamoyl)benzenesulfonamide,CCCCNC(=O)NS(=O)(=O)c1ccccc1,CCCCNC(=O)NS(=O)(=O)c1ccccc1,"InChI=1/C11H16N2O3S/c1-2-3-9-12-11(14)13-17(15,16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)",C11H16N2O3S,,,,,,AFOGBLYPWJJVAL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.622,221-584-5,3150-24-1,4-nitrophenyl-beta-D-galactopyranoside,"4,5-dihydroxy-6-(hydroxymethyl)-3-(4-nitrophenoxy)tetrahydro-2H-pyran-2-olate (non-preferred name)",[O-][C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2Oc1ccc(cc1)[N+]([O-])=O,[O-][C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2Oc1ccc(cc1)[N+]([O-])=O,"InChI=1/C12H14NO8/c14-5-8-9(15)10(16)11(12(17)21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-16H,5H2/q-1",C12H15NO8,,,,,,VRANHXKHYNYKBN-YBXAARCKSA-N,,,,,,,,,,,
100.018.128,219-939-4,2579-14-8,"22,23-dihydroergosteryl acetate, non-irradiated","ergosta-5,7-dien-3-yl acetate",CC(C)C(C)CCC(C)C1CCC2C3=CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C,CC(C)C(C)CCC(C)C1CCC2C3=CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C,"InChI=1/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10-11,19-21,24,26-28H,8-9,12-18H2,1-7H3",C30H48O2,,,,,,OEQXNFVIQLJFHG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.136,219-948-3,2580-77-0,Bis(2-hydroxyethyl) sulphone,"2,2'-sulfonyldiethanol",OCCS(=O)(=O)CCO,OCCS(=O)(=O)CCO,"InChI=1/C4H10O4S/c5-1-3-9(7,8)4-2-6/h5-6H,1-4H2",C4H10O4S,,,,,,QQLILYBIARWEIF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.142,219-955-1,2/07/2582,Benzothiazol-2-ylguanidine,"1-(1,3-benzothiazol-2-yl)guanidine",NC(=N)Nc1nc2ccccc2s1,NC(=N)Nc1nc2ccccc2s1,"InChI=1/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)",C8H8N4S,,,,,,QMHWARSFUCGBJK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.143,219-956-7,2582-30-1,Aminoguanidinium hydrogen carbonate,carbamimidoyldiazanium hydrogen carbonate,N[NH2+]C(=N)N.[O-]C(=O)[O-],N[NH2+]C(=N)N.[O-]C(=O)[O-],"InChI=1/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4)/p-1",CH6N4.CH2O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12353,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.143,OTXHZHQQWQTQMW-UHFFFAOYSA-M,,,,,,,,,,,
100.018.145,219-958-8,2583-25-7,Allylmalonic acid,allylmalonic acid,OC(=O)C(CC=C)C(=O)O,OC(=O)C(CC=C)C(=O)O,"InChI=1/C6H8O4/c1-2-3-4(5(7)8)6(9)10/h2,4H,1,3H2,(H,7,8)(H,9,10)",C6H8O4,,,,,,ZDZVKPXKLLLOOA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.146,219-959-3,2583-53-1,Biguanide sulphate,imidodicarbonimidic diamide sulfate,NC(=N)NC(=N)N.OS(=O)(=O)O,NC(=N)NC(=N)N.OS(=O)(=O)O,"InChI=1/C2H7N5.H2O4S/c3-1(4)7-2(5)6;1-5(2,3)4/h(H7,3,4,5,6,7);(H2,1,2,3,4)",C2H7N5.xH2O4S,,,,,,MIWVBVPUEOHJFV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.156,219-970-3,2587-82-8,Acetoxytributylplumbane,acetoxy(tributyl)plumbane,CCCC[Pb](CCCC)(CCCC)OC(=O)C,CCCC[Pb](CCCC)(CCCC)OC(=O)C,"InChI=1/3C4H9.C2H4O2.Pb/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1/rC14H30O2Pb/c1-5-8-11-17(12-9-6-2,13-10-7-3)16-14(4)15/h5-13H2,1-4H3",C14H30O2Pb,,,,,,LMDKALUFKHCRFQ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.158,219-972-4,2588-24-1,"3,3'-(3H-2,1-benzooxathiol-3-ylidene)bis[6-hydroxy-5-methylbenzoic acid S,S-dioxide","3,3'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(6-hydroxy-5-methylbenzoic acid)",Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(c4)C(=O)O,Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(c4)C(=O)O,"InChI=1/C23H18O9S/c1-11-7-13(9-15(19(11)24)21(26)27)23(14-8-12(2)20(25)16(10-14)22(28)29)17-5-3-4-6-18(17)33(30,31)32-23/h3-10,24-25H,1-2H3,(H,26,27)(H,28,29)",C23H18O9S,,,,,,LGKSNCHFKPHIJM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.742,231-615-4,7651-99-2,"Pentasodium trihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","pentasodium trihydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.5Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;/q;5*+1/p-8",C6H20N2O12P4.5Na,,,,,,QPTMDBQLCWRDCK-UHFFFAOYSA-F,,,,,,,,,,,
100.028.743,231-617-5,7652-64-4,"1,1'-(1,3-phenylenedicarbonyl)bis[2-methylaziridine]","1,1'-(1,3-phenylenedicarbonyl)bis(2-methylaziridine)",CC1CN1C(=O)c2cccc(c2)C(=O)N3CC3C,CC1CN1C(=O)c2cccc(c2)C(=O)N3CC3C,"InChI=1/C14H16N2O2/c1-9-7-15(9)13(17)11-4-3-5-12(6-11)14(18)16-8-10(16)2/h3-6,9-10H,7-8H2,1-2H3",C14H16N2O2,,,,,,PQJYXFVJBSRUPG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.745,231-619-6,7/03/7654,Benmoxin,N'-(1-phenylethyl)benzohydrazide,CC(NNC(=O)c1ccccc1)c2ccccc2,CC(NNC(=O)c1ccccc1)c2ccccc2,"InChI=1/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)",C15H16N2O,,,,,,BEWNZPMDJIGBED-UHFFFAOYSA-N,,,,,,,,,,,
100.028.749,231-623-8,7658-80-2,o-toluohydrazide,2-methylbenzohydrazide,Cc1ccccc1C(=O)NN,Cc1ccccc1C(=O)NN,"InChI=1/C8H10N2O/c1-6-4-2-3-5-7(6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O,,,,,,KFXLXEQCRFGDRU-UHFFFAOYSA-N,,,,,,,,,,,
100.029.390,232-331-3,8004-90-8,"Sodium [[4-[[4-(anilino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonate","sodium 2-[(4-{(4-anilinophenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}phenyl)amino]benzenesulfonate",[Na+].[O-]S(=O)(=O)c6ccccc6Nc1ccc(cc1)C(c3ccc(Nc2ccccc2)cc3)=C\\4/C=C\\C(/C=C/4)=N\\c5ccccc5,[Na+].[O-]S(=O)(=O)c6ccccc6Nc1ccc(cc1)C(c3ccc(Nc2ccccc2)cc3)=C\4/C=C\C(/C=C/4)=N\c5ccccc5,"InChI=1/C37H29N3O3S.Na/c41-44(42,43)36-14-8-7-13-35(36)40-34-25-19-29(20-26-34)37(27-15-21-32(22-16-27)38-30-9-3-1-4-10-30)28-17-23-33(24-18-28)39-31-11-5-2-6-12-31;/h1-26,38,40H,(H,41,42,43);/q;+1/p-1",C37H29N3O3S.Na,,,,,,DBXNFSSVEVRBNY-UHFFFAOYSA-M,,,,,,,,,,,
100.028.284,231-113-5,1/03/7440,Niobium,niobium(2+),[Nb],[Nb],InChI=1/Nb/q+2,Nb,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15401,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.284,GUCVJGMIXFAOAE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.288,231-117-7,5/07/7440,Plutonium,plutonium(3+),[Pu],[Pu],InChI=1/Pu/q+3,Pu,,,,,,OYEHPCDNVJXUIW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.290,231-119-8,7/09/7440,Potassium,potassium,[KH],[KH],InChI=1/K.H/q+1;/rHK/h1H/q+1,K,,,,,,NTTOTNSKUYCDAV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.297,231-127-1,7440-18-8,Ruthenium,ruthenium(2+),[Ru],[Ru],InChI=1/Ru/q+2,Ru,,,,,,KJTLSVCANCCWHF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.302,231-132-9,7440-23-5,Sodium,sodium,[NaH],[NaH],InChI=1/Na.H/q+1;/rHNa/h1H/q+1,,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13486,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.302,MPMYQQHEHYDOCL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.320,231-152-8,7440-43-9,Cadmium,cadmium,[Cd],[Cd],InChI=1/Cd/q+2,Cd,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15342,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.320,BDOSMKKIYDKNTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.321,231-153-3,7440-44-0,Carbon,methane,[C],[C],InChI=1/CH4/h1H4,C,,,,,,OKTJSMMVPCPJKN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.323,231-155-4,7440-46-2,Caesium,caesium,[Cs],[Cs],InChI=1/Cs/q+1,Cs,,,,,,TVFDJXOCXUVLDH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.335,231-169-0,7440-60-0,Holmium,holmium,[Ho],[Ho],InChI=1/Ho/q+3,Ho,,,,,,KJZYNXUDTRRSPN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.336,231-170-6,7440-61-1,Uranium,uranium(2+),[U],[U],InChI=1/U/q+2,U,,,,,,JFALSRSLKYAFGM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.337,231-171-1,7440-62-2,Vanadium,vanadium(2+),[V],[V],InChI=1/V/q+2,V,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15421,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.337,LEONUFNNVUYDNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.343,231-177-4,7440-69-9,Bismuth,bismuth(3+),[Bi],[Bi],InChI=1/Bi/q+3,Bi,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14679,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.343,JCXGWMGPZLAOME-UHFFFAOYSA-N,,,,,,,,,,,
100.025.077,227-585-7,5895-52-3,Diytterbium tricarbonate,diytterbium tricarbonate,[Yb+2].[Yb+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Yb+2].[Yb+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Yb.4H/c3*2-1(3)4;;;;;;/h3*(H2,2,3,4);;;;;;/q;;;2*+2;;;;/p-6/r3CH2O3.2H2Yb/c3*2-1(3)4;;/h3*(H2,2,3,4);2*1H2/q;;;2*+2/p-6",CH2O3.2/3Yb,,,,,,OHOKAAAWPKYLKR-UHFFFAOYSA-H,,,,,,,,,,,
100.025.079,227-587-8,6/02/5896,"4-(1,3-butadienyl)-3,5,5-trimethylcyclohex-2-en-1-one","4-buta-1,3-dien-1-yl-3,5,5-trimethylcyclohex-2-en-1-one",CC1(C)CC(=O)\\C=C(\\C)C1C=CC=C,CC1(C)CC(=O)\C=C(\C)C1C=CC=C,"InChI=1/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3",C13H18O,,,,,,YKVWPZJHENXDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.081,227-589-9,5896-55-9,Disodium 2-sulphonatopalmitate,disodium 2-sulfonatohexadecanoate,[Na+].[Na+].CCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H32O5S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(17)18)22(19,20)21;;/h15H,2-14H2,1H3,(H,17,18)(H,19,20,21);;/q;2*+1/p-2",C16H32O5S.2Na,,,,,,FEUSCULRJXSZAE-UHFFFAOYSA-L,,,,,,,,,,,
100.015.331,216-863-3,1683-49-4,"4-(a,a,a-trifluoro-m-tolyl)piperidin-4-ol hydrochloride",4-[3-(trifluoromethyl)phenyl]piperidin-4-ol hydrochloride,Cl.OC1(CCNCC1)c2cccc(c2)C(F)(F)F,Cl.OC1(CCNCC1)c2cccc(c2)C(F)(F)F,"InChI=1/C12H14F3NO.ClH/c13-12(14,15)10-3-1-2-9(8-10)11(17)4-6-16-7-5-11;/h1-3,8,16-17H,4-7H2;1H",C12H14F3NO.ClH,,,,,,SBKPKQORDCJPSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.215,217-835-3,2/10/1977,Loxapine,"2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine",CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24,CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24,"InChI=1/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",C18H18ClN3O,,,,,,XJGVXQDUIWGIRW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.217,217-837-4,1979-36-8,"1-(2,5-difluorophenyl)ethan-1-one","1-(2,5-difluorophenyl)ethanone",CC(=O)c1cc(F)ccc1F,CC(=O)c1cc(F)ccc1F,"InChI=1/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3",C8H6F2O,,,,,,HLAFIZUVVWJAKL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.225,217-846-3,1982-69-0,"Sodium 3,6-dichloro-o-anisate","sodium 3,6-dichloro-2-methoxybenzoate",[Na+].COc1c(Cl)ccc(Cl)c1C(=O)[O-],[Na+].COc1c(Cl)ccc(Cl)c1C(=O)[O-],"InChI=1/C8H6Cl2O3.Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1",C8H6Cl2O3.Na,,,,,,HLZCHRAMVPCKDU-UHFFFAOYSA-M,,,,,,,,,,,
100.016.231,217-853-1,1984-59-4,"2,3-dichloroanisole","1,2-dichloro-3-methoxybenzene",COc1cccc(Cl)c1Cl,COc1cccc(Cl)c1Cl,"InChI=1/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3",C7H6Cl2O,,,,,,HFEASCCDHUVYKU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.236,217-858-9,1986-66-9,"2,2'-[(1,2-dicarboxyethylene)bis(thio)]bis[1,3,2-dithiastibolane-4,5-dicarboxylic] acid","2,2'-[(1,2-dicarboxyethane-1,2-diyl)disulfanediyl]bis(1,3,2-dithiastibolane-4,5-dicarboxylic acid)",OC(=O)C(S[Sb]1SC(C(S1)C(=O)O)C(=O)O)C(S[Sb]2SC(C(S2)C(=O)O)C(=O)O)C(=O)O,OC(=O)C(S[Sb]1SC(C(S1)C(=O)O)C(=O)O)C(S[Sb]2SC(C(S2)C(=O)O)C(=O)O)C(=O)O,"InChI=1/3C4H6O4S2.2Sb/c3*5-3(6)1(9)2(10)4(7)8;;/h3*1-2,9-10H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/rC12H12O12S6Sb2/c13-7(14)1-2(8(15)16)26-31(25-1)29-5(11(21)22)6(12(23)24)30-32-27-3(9(17)18)4(28-32)10(19)20/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C12H12O12S6Sb2,,,,,,WRIDGMJGKDWAJY-UHFFFAOYSA-H,,,,,,,,,,,
100.016.238,217-861-5,1986-89-6,"1,1'-sulphinylbisoctane","1,1'-sulfinyldioctane",CCCCCCCCS(=O)CCCCCCCC,CCCCCCCCS(=O)CCCCCCCC,"InChI=1/C16H34OS/c1-3-5-7-9-11-13-15-18(17)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34OS,,,,,,VWCFQNQVNVMFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.243,217-866-2,1989-33-9,Fluorene-9-carboxylic acid,9H-fluorene-9-carboxylic acid,OC(=O)C1c2ccccc2c3ccccc13,OC(=O)C1c2ccccc2c3ccccc13,"InChI=1/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)",C14H10O2,,,,,,DNVJGJUGFFYUPT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.247,217-870-4,1990-29-0,D-altrose,D-altrose,O[C@@H]([C@H](O)C=O)[C@H](O)[C@H](O)CO,O[C@@H]([C@H](O)C=O)[C@H](O)[C@H](O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-ARQDHWQXSA-N,,,,,,,,,,,
100.017.762,219-537-9,2457-47-8,"3,5-dichloropyridine","3,5-dichloropyridine",Clc1cncc(Cl)c1,Clc1cncc(Cl)c1,InChI=1/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H,C5H3Cl2N,,,,,,WPGHPGAUFIJVJF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.577,221-534-2,3137-00-6,Diallyl sebacate,diallyl sebacate,C=CCOC(=O)CCCCCCCCC(=O)OCC=C,C=CCOC(=O)CCCCCCCCC(=O)OCC=C,"InChI=1/C16H26O4/c1-3-13-19-15(17)11-9-7-5-6-8-10-12-16(18)20-14-4-2/h3-4H,1-2,5-14H2",C16H26O4,,,,,,NUVBFTZPEYQYGI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.582,221-540-5,3139-99-9,Sodium 2-methoxyethanolate,sodium 2-methoxyethanolate,[Na+].COCC[O-],[Na+].COCC[O-],"InChI=1/C3H7O2.Na/c1-5-3-2-4;/h2-3H2,1H3;/q-1;+1",C3H8O2.Na,,,,,,UIICPZFWHBJNIG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.587,221-545-2,3141-25-1,"2,3,4-tribromothiophene","2,3,4-tribromothiophene",Brc1csc(Br)c1Br,Brc1csc(Br)c1Br,InChI=1/C4HBr3S/c5-2-1-8-4(7)3(2)6/h1H,C4HBr3S,,,,,,ZDXQFDMBZUQHOM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.588,221-546-8,3141-26-2,"3,4-dibromothiophene","3,4-dibromothiophene",Brc1cscc1Br,Brc1cscc1Br,InChI=1/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H,C4H2Br2S,,,,,,VGKLVWTVCUDISO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.591,221-549-4,3142-46-9,"4-(benzoylamino)-2,5-diethoxybenzenediazonium trichlorozincate","4-(benzoylamino)-2,5-diethoxybenzenediazonium trichlorozincate(1-)",CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c2ccccc2.Cl[Zn-](Cl)Cl,CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c2ccccc2.Cl[Zn-](Cl)Cl,"InChI=1/C17H17N3O3.3ClH.Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;/h5-11H,3-4H2,1-2H3;3*1H;/q;;;;+2/p-2/rC17H17N3O3.Cl3Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;1-4(2)3/h5-11H,3-4H2,1-2H3;/q;-1/p+1",C17H18N3O3.Cl3Zn,,,,,,OLFLSIOXGZSCDB-UHFFFAOYSA-L,,,,,,,,,,,
100.019.596,221-555-7,3144-54-5,"2',4'-dihydroxyhexanophenone","1-(2,4-dihydroxyphenyl)hexan-1-one",CCCCCC(=O)c1ccc(O)cc1O,CCCCCC(=O)c1ccc(O)cc1O,"InChI=1/C12H16O3/c1-2-3-4-5-11(14)10-7-6-9(13)8-12(10)15/h6-8,13,15H,2-5H2,1H3",C12H16O3,,,,,,SKUFHZAEFGZSQK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.961,217-556-7,1886-89-1,"[[(1,1-dimethylpent-4-en-2-ynyl)oxy]methyl]oxirane","2-{[(1,1-dimethylpent-4-en-2-yn-1-yl)oxy]methyl}oxirane",CC(C)(OCC1CO1)C#CC=C,CC(C)(OCC1CO1)C#CC=C,"InChI=1/C10H14O2/c1-4-5-6-10(2,3)12-8-9-7-11-9/h4,9H,1,7-8H2,2-3H3",C10H14O2,,,,,,YQJCMJPWVZEDPX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.964,217-559-3,1888-09-1,4-ethoxy-4-phenylpiperidinium chloride,4-ethoxy-4-phenylpiperidinium chloride,[Cl-].CCOC1(CC[NH2+]CC1)c2ccccc2,[Cl-].CCOC1(CC[NH2+]CC1)c2ccccc2,"InChI=1/C13H19NO.ClH/c1-2-15-13(8-10-14-11-9-13)12-6-4-3-5-7-12;/h3-7,14H,2,8-11H2,1H3;1H",C13H19NO.ClH,,,,,,JLVUUXKHLHNXJM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.965,217-560-9,1888-71-7,Hexachloropropene,"1,1,2,3,3,3-hexachloroprop-1-ene",ClC(=C(Cl)C(Cl)(Cl)Cl)Cl,ClC(=C(Cl)C(Cl)(Cl)Cl)Cl,"InChI=1/C3Cl6/c4-1(2(5)6)3(7,8)9",C3Cl6,,,,,,VFDYKPARTDCDCU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.967,217-563-5,1888-87-5,Dichloroisobutylaluminium,dichloro(isobutyl)aluminum,CC(C)C[Al](Cl)Cl,CC(C)C[Al](Cl)Cl,"InChI=1/C4H9.Al.2ClH/c1-4(2)3;;;/h4H,1H2,2-3H3;;2*1H/q;+2;;/p-2/rC4H9AlCl2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3",C4H9AlCl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5964,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.967,NMVXHZSPDTXJSJ-UHFFFAOYSA-L,,,,,,,,,,,
100.015.969,217-565-6,1888-91-1,N-acetylhexanelactam,1-acetylazepan-2-one,CC(=O)N1CCCCCC1=O,CC(=O)N1CCCCCC1=O,"InChI=1/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3",C8H13NO2,,,,,,QISSLHPKTCLLDL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.975,217-571-9,1891-90-3,p-(trifluoromethyl)benzamide,4-(trifluoromethyl)benzamide,NC(=O)c1ccc(cc1)C(F)(F)F,NC(=O)c1ccc(cc1)C(F)(F)F,"InChI=1/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)",C8H6F3NO,,,,,,WEJHBEDHLLBJFW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.981,217-578-7,1892-43-9,2-(4-chlorophenoxy)ethanol,2-(4-chlorophenoxy)ethanol,OCCOc1ccc(Cl)cc1,OCCOc1ccc(Cl)cc1,"InChI=1/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2",C8H9ClO2,,,,,,GEGSSUSEWOHAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.988,217-586-0,1895-39-2,Sodium chlorodifluoroacetate,sodium chloro(difluoro)acetate,[Na+].[O-]C(=O)C(F)(F)Cl,[Na+].[O-]C(=O)C(F)(F)Cl,"InChI=1/C2HClF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HClF2O2.Na,,,,,,MRTAVLDNYYEJHK-UHFFFAOYSA-M,,,,,,,,,,,
100.015.989,217-587-6,1896-62-4,trans-4-phenylbut-3-en-2-one,4-phenylbut-3-en-2-one,CC(=O)C=Cc1ccccc1,CC(=O)C=Cc1ccccc1,"InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3",C10H10O,,,,,,BWHOZHOGCMHOBV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.181,223-298-6,9/08/3813,"2,2'-methylenebis(6-chloroaniline)","2,2'-methylenebis(6-chloroaniline)",Nc1c(Cl)cccc1Cc2cccc(Cl)c2N,Nc1c(Cl)cccc1Cc2cccc(Cl)c2N,"InChI=1/C13H12Cl2N2/c14-10-5-1-3-8(12(10)16)7-9-4-2-6-11(15)13(9)17/h1-6H,7,16-17H2",C13H12Cl2N2,,,,,,QRNOKNRQGABGFX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.183,223-300-5,3813-14-7,"Tri(2-hydroxyethyl)ammonium (2,4,5-trichlorophenoxy)acetate","2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium (2,4,5-trichlorophenoxy)acetate",OCC[NH+](CCO)CCO.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,OCC[NH+](CCO)CCO.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3.C6H15NO3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;8-4-1-7(2-5-9)3-6-10/h1-2H,3H2,(H,12,13);8-10H,1-6H2",C8H5Cl3O3.C6H15NO3,,,,,,VTZDSNBPOOWJST-UHFFFAOYSA-N,,,,,,,,,,,
100.021.187,223-304-7,3814-58-2,"Allyl 2,3-epoxypropyl phthalate",allyl oxiran-2-ylmethyl phthalate,C=CCOC(=O)c1ccccc1C(=O)OCC2CO2,C=CCOC(=O)c1ccccc1C(=O)OCC2CO2,"InChI=1/C14H14O5/c1-2-7-17-13(15)11-5-3-4-6-12(11)14(16)19-9-10-8-18-10/h2-6,10H,1,7-9H2",C14H14O5,,,,,,OFILZJAFGRGHDE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.188,223-305-2,3818-32-4,"3-hydroxy-2,2-bis(hydroxymethyl)propionaldehyde","3-hydroxy-2,2-bis(hydroxymethyl)propanal",OCC(CO)(CO)C=O,OCC(CO)(CO)C=O,"InChI=1/C5H10O4/c6-1-5(2-7,3-8)4-9/h1,7-9H,2-4H2",C5H10O4,,,,,,JCQKQWAONVEFJC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.189,223-306-8,3818-50-6,Bephenium hydroxynaphthoate,"N-benzyl-N,N-dimethyl-2-phenoxyethanaminium 3-hydroxy-2-naphthoate",C[N+](C)(CCOc1ccccc1)Cc2ccccc2.Oc3cc4ccccc4cc3C(=O)[O-],C[N+](C)(CCOc1ccccc1)Cc2ccccc2.Oc3cc4ccccc4cc3C(=O)[O-],"InChI=1/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1",C17H22NO.C11H7O3,,,,,,PMPQCPQAHTXCDK-UHFFFAOYSA-M,,,,,,,,,,,
100.021.191,223-308-9,3818-60-8,"Disodium 3-[[4'-[[6-amino-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate","disodium 3-({4'-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-1-sulfonate",[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(N)ccc1c2O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(N)ccc1c2O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H27N5O10S2.2Na/c1-48-28-14-18(7-11-25(28)36-38-27-17-30(50(42,43)44)23-5-3-4-6-24(23)33(27)40)19-8-12-26(29(15-19)49-2)37-39-32-31(51(45,46)47)16-20-13-21(35)9-10-22(20)34(32)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C40H31N5O10S2.2Na,,,,,,PHBXSOKXCTZJBO-UHFFFAOYSA-L,,,,,,,,,,,
100.018.160,219-975-0,2589-47-1,Prajmalium bitartrate,"4-propylajmalan-4-ium-17,21-diol 3-carboxy-2,3-dihydroxypropanoate",CCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C[C@H]1[C@@H]4N(C)c5ccccc5[C@]46C[C@H]2C3[C@H]6O.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O,CCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C[C@H]1[C@@H]4N(C)c5ccccc5[C@]46C[C@H]2C3[C@H]6O.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O,"InChI=1/C23H33N2O2.C4H6O6/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23;5-1(3(7)8)2(6)4(9)10/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1",C23H33N2O2.C4H5O6,,,,,,VZAUGYDMVQSQAO-NHKMMWDGSA-M,,,,,,,,,,,
100.018.162,219-977-1,2589-61-9,"4-(methyloctadecylamino)-3-[(5,6,7,8-tetrahydro-1-hydroxy-2-naphthyl)carbamoyl]benzenesulphonic acid","3-[(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]-4-[methyl(octadecyl)amino]benzenesulfonic acid",CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1C(=O)Nc2ccc3CCCCc3c2O)S(=O)(=O)O,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1C(=O)Nc2ccc3CCCCc3c2O)S(=O)(=O)O,"InChI=1/C36H56N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-38(2)34-26-24-30(44(41,42)43)28-32(34)36(40)37-33-25-23-29-21-18-19-22-31(29)35(33)39/h23-26,28,39H,3-22,27H2,1-2H3,(H,37,40)(H,41,42,43)",C36H56N2O5S,,,,,,CNUNRODPBYAPLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.169,219-985-5,2591-84-6,3-methylpiperidine-1-carbaldehyde,3-methylpiperidine-1-carbaldehyde,CC1CCCN(C1)C=O,CC1CCCN(C1)C=O,"InChI=1/C7H13NO/c1-7-3-2-4-8(5-7)6-9/h6-7H,2-5H2,1H3",C7H13NO,,,,,,DZFZYIQSJQMOHP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.172,219-988-1,2592-19-0,"4-nitrophenyl N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-L-lysinate","4-nitrophenyl N~2~,N~6~-bis(tert-butoxycarbonyl)-L-lysinate",CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C22H33N3O8/c1-21(2,3)32-19(27)23-14-8-7-9-17(24-20(28)33-22(4,5)6)18(26)31-16-12-10-15(11-13-16)25(29)30/h10-13,17H,7-9,14H2,1-6H3,(H,23,27)(H,24,28)",C22H33N3O8,,,,,,LYUXBTAUKJETMS-KRWDZBQOSA-N,,,,,,,,,,,
100.015.344,216-878-5,1689-09-4,"3,3-dimethylphthalide","3,3-dimethyl-2-benzofuran-1(3H)-one",CC1(C)OC(=O)c2ccccc12,CC1(C)OC(=O)c2ccccc12,"InChI=1/C10H10O2/c1-10(2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3",C10H10O2,,,,,,YFBZUWUJSCLVST-UHFFFAOYSA-N,,,,,,,,,,,
100.015.348,216-882-7,1689-84-5,"3,5-dibromo-4-hydroxybenzonitrile","3,5-dibromo-4-hydroxybenzonitrile",Oc1c(Br)cc(cc1Br)C#N,Oc1c(Br)cc(cc1Br)C#N,"InChI=1/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",C7H3Br2NO,,,,,,UPMXNNIRAGDFEH-UHFFFAOYSA-N,Negative,,,,,,SM844052;EA002451|EA002452|EA002453|EA002454|EA002455|EA002456|EA002457|EA002458|EA002459|EA002460|EA002461|EA002462|EA002463|EA002464,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,273.8508:193.9246:166.9377;78.9189:273.8508|273.851|273.8509:78.9188|78.9189:273.8509:193.925|78.9189:273.8512:193.9241|78.9189:273.8501:193.9248|78.9189|273.8509|273.851:78.9189|78.9189:273.8508:193.9249|78.9189:273.8506:193.9252|78.9188:273.8512:193.9246|78.9188|78.9189:273.8505,CASMI_2016;Eawag
100.015.354,216-889-5,1692-45-1,"2,3-dihydro-2-phenyl-4-benzopyrone (2,3-dihydro-2-phenyl-4H-1-benzopyran-4-ylidene)hydrazone","bis(2-phenyl-2,3-dihydro-4H-chromen-4-ylidene)hydrazine",C1C(Oc2ccccc2C1=NN=C3CC(Oc4ccccc34)c5ccccc5)c6ccccc6,C1C(Oc2ccccc2C1=NN=C3CC(Oc4ccccc34)c5ccccc5)c6ccccc6,"InChI=1/C30H24N2O2/c1-3-11-21(12-4-1)29-19-25(23-15-7-9-17-27(23)33-29)31-32-26-20-30(22-13-5-2-6-14-22)34-28-18-10-8-16-24(26)28/h1-18,29-30H,19-20H2",C30H24N2O2,,,,,,YRRHIUDRTJZIPK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.361,216-896-3,1693-63-6,"3-ß,21-dihydroxypregn-5-en-20-one di(acetate)","20-oxopregn-5-ene-3,21-diyl diacetate",CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C25H36O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,18-22H,6-14H2,1-4H3",C25H36O5,,,,,,UVOTXHBDYFWIBF-YLCICSEWSA-N,,,,,,,,,,,
100.015.365,216-901-9,1694-09-3,"[4-[[4-(dimethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt","sodium 3-({[4-([4-(dimethylamino)phenyl]{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate",[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(cc5)N(C)C,[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(cc5)N(C)C,"InChI=1/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1",C39H41N3O6S2.Na,,,,,,AXMCIYLNKNGNOT-UHFFFAOYSA-M,,,,,,,,,,,
100.015.370,216-907-1,1694-92-4,2-nitrobenzenesulphonyl chloride,2-nitrobenzenesulfonyl chloride,[O-][N+](=O)c1ccccc1S(=O)(=O)Cl,[O-][N+](=O)c1ccccc1S(=O)(=O)Cl,"InChI=1/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H",C6H4ClNO4S,,,,,,WPHUUIODWRNJLO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.371,216-908-7,1694-93-5,"N,O-bis(2,4-dinitrophenyl)-L-tyrosine","N,O-bis(2,4-dinitrophenyl)-L-tyrosine",OC(=O)[C@H](Cc1ccc(Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1)Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],OC(=O)[C@H](Cc1ccc(Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1)Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C21H15N5O11/c27-21(28)17(22-16-7-3-13(23(29)30)10-18(16)25(33)34)9-12-1-5-15(6-2-12)37-20-8-4-14(24(31)32)11-19(20)26(35)36/h1-8,10-11,17,22H,9H2,(H,27,28)",C21H15N5O11,,,,,,XLKWITSYWZVKMC-KRWDZBQOSA-N,,,,,,,,,,,
100.015.373,216-910-8,1695-02-9,"DL-2-(2,4-dinitroanilino)-4-(methylsulphinyl)butyric acid","2-[(2,4-dinitrophenyl)amino]-4-(methylsulfinyl)butanoic acid",CS(=O)CCC(Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,CS(=O)CCC(Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C11H13N3O7S/c1-22(21)5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h2-3,6,9,12H,4-5H2,1H3,(H,15,16)",C11H13N3O7S,,,,,,FTOHDWRUZIRPDU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.083,227-592-5,5900-55-0,N-(5-chloro-2-methylphenyl)acetamide,N-(5-chloro-2-methylphenyl)acetamide,CC(=O)Nc1cc(Cl)ccc1C,CC(=O)Nc1cc(Cl)ccc1C,"InChI=1/C9H10ClNO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)",C9H10ClNO,,,,,,AQHVWJACZZWZPW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.091,227-600-7,5904-62-1,1-hydroxypyrrolidine,pyrrolidin-1-ol,ON1CCCC1,ON1CCCC1,"InChI=1/C4H9NO/c6-5-3-1-2-4-5/h6H,1-4H2",C4H9NO,,,,,,CWLUFVAFWWNXJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.095,227-604-9,5905-46-4,Prop-1-enyl propyl disulphide,1-(propyldisulfanyl)prop-1-ene,CC=CSSCCC,CC=CSSCCC,"InChI=1/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3",C6H12S2,,,,,,AAPBYIVJOWCMGH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.096,227-605-4,5905-47-5,Methyl prop-1-enyl disulphide,1-(methyldisulfanyl)prop-1-ene,CC=CSSC,CC=CSSC,"InChI=1/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3",C4H8S2,,,,,,FUDUFCLRGSEHAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.102,227-612-2,5908-77-0,Barium dipropionate,barium dipropanoate,[Ba+2].CCC(=O)[O-].CCC(=O)[O-],[Ba+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Ba/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.1/2Ba,,,,,,OWLGVZDNMSNYSA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.118,227-630-0,5910-89-4,"2,3-dimethylpyrazine","2,3-dimethylpyrazine",Cc1nccnc1C,Cc1nccnc1C,"InChI=1/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3",C6H8N2,,,,,,OXQOBQJCDNLAPO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.121,227-633-7,5912-86-7,(Z)-2-methoxy-4-(prop-1-enyl)phenol,2-methoxy-4-prop-1-en-1-ylphenol,COc1cc(\\C=C/C)ccc1O,COc1cc(\C=C/C)ccc1O,"InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3",C10H12O2,,,,,,BJIOGJUNALELMI-ARJAWSKDSA-N,,,,,,,,,,,
100.024.720,227-192-0,5703-34-4,Triiodoacetaldehyde,triiodoacetaldehyde,IC(I)(I)C=O,IC(I)(I)C=O,"InChI=1/C2HI3O/c3-2(4,5)1-6/h1H",C2HI3O,,,,,,SNWLPURUNKWTPY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.724,227-196-2,5707-04-0,Chloroselenobenzene,benzeneselenenyl chloride,Cl[Se]c1ccccc1,Cl[Se]c1ccccc1,InChI=1/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H,C6H5ClSe,,,,,,WJCXADMLESSGRI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.726,227-198-3,5707-73-3,"3-methylisoxazole-4,5-dione 4-[(3-chlorophenyl)hydrazone]",4-[(3-chlorophenyl)hydrazono]-3-methylisoxazol-5(4H)-one,C\\C2=N\\OC(=O)C2=NNc1cccc(Cl)c1,C\C2=N\OC(=O)C2=NNc1cccc(Cl)c1,"InChI=1/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-4-2-3-7(11)5-8/h2-5,12H,1H3",C10H8ClN3O2,,,,,,PANCLGUYZXWRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.730,227-202-3,5714-00-1,2-acetyl-10-[3-[4-(2-hydroxyethyl)piperazinyl]propyl]-10H-phenothiazine dimaleate,1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)ethanone dibut-2-enedioate (salt),CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1.OC(=O)\\C=C/C(=O)O.OC(=O)\\C=C/C(=O)O,CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O,"InChI=1/C23H29N3O2S.2C4H4O4/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27;2*5-3(6)1-2-4(7)8/h2-3,5-8,17,27H,4,9-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)",C23H29N3O2S.2C4H4O4,,,,,,NUKVZKPNSKJGBK-SPIKMXEPSA-N,,,,,,,,,,,
100.024.732,227-204-4,5714-22-7,Disulphur decafluoride,disulphur decafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[SH4+2].[SH4+2],[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[SH4+2].[SH4+2],InChI=1/10FH.2H4S/h10*1H;2*1H4/q;;;;;;;;;;2*+2/p-10,F10S2,,,,,,VSJKPBNRBYUXBL-UHFFFAOYSA-D,,,,,,,,,,,
100.024.738,227-211-2,5715-23-1,"3,4-dimethylcyclohexan-1-ol","3,4-dimethylcyclohexanol",CC1CCC(O)CC1C,CC1CCC(O)CC1C,"InChI=1/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3",C8H16O,,,,,,ZBAXJUPCYVIBSP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.740,227-213-3,5716-15-4,"1,2-dihydropyridazine-3,6-dione, compound with 2,2'-iminodiethanol (1:1)","1,2-dihydropyridazine-3,6-dione - 2,2'-iminodiethanol (1:1)",OCCNCCO.O=C1NNC(=O)C=C1,OCCNCCO.O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2.C4H11NO2/c7-3-1-2-4(8)6-5-3;6-3-1-5-2-4-7/h1-2H,(H,5,7)(H,6,8);5-7H,1-4H2",C4H11NO2.C4H4N2O2,,,,,,JRIDWRXQHJJLPL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.743,227-217-5,5718-26-3,"Methyl 2-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene]-1,3,3-trimethylindoline-5-carboxylate","methyl 1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)ethylidene]indoline-5-carboxylate",COC(=O)c1cc4c(cc1)N(C)C(=CC=C3C(\\C)=N/N(c2ccccc2)C3=O)C4(C)C,COC(=O)c1cc4c(cc1)N(C)C(=CC=C3C(\C)=N/N(c2ccccc2)C3=O)C4(C)C,"InChI=1/C25H25N3O3/c1-16-19(23(29)28(26-16)18-9-7-6-8-10-18)12-14-22-25(2,3)20-15-17(24(30)31-5)11-13-21(20)27(22)4/h6-15H,1-5H3",C25H25N3O3,,,,,,GSYLGDNZCGXCAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.747,227-221-7,5719-23-3,"5,7-dihydro-2-methylthieno[3,4-d]pyrimidin-4-ol","2-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-ol",Cc1nc(O)c2CSCc2n1,Cc1nc(O)c2CSCc2n1,"InChI=1/C7H8N2OS/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)",C7H8N2OS,,,,,,XBDCXZUSBJYHEP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.748,227-222-2,5719-46-0,"4-chloro-5,7-dihydro-2-methylthieno[3,4-d]pyrimidine","4-chloro-2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine",Cc1nc(Cl)c2CSCc2n1,Cc1nc(Cl)c2CSCc2n1,"InChI=1/C7H7ClN2S/c1-4-9-6-3-11-2-5(6)7(8)10-4/h2-3H2,1H3",C7H7ClN2S,,,,,,RYAXUNIIQRQNMK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.597,221-556-2,3144-74-9,(chloromethyl)dimethylsilane,(chloromethyl)(dimethyl)silane,C[SiH](C)CCl,C[SiH](C)CCl,"InChI=1/C3H9ClSi/c1-5(2)3-4/h5H,3H2,1-2H3",C3H9ClSi,,,,,,BHLKIZCNPYDMOY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.600,221-559-9,3146-40-5,N-(N-L-alanylglycyl)glycine,L-alanylglycylglycine,C[C@H](N)C(=O)NCC(=O)NCC(=O)O,C[C@H](N)C(=O)NCC(=O)NCC(=O)O,"InChI=1/C7H13N3O4/c1-4(8)7(14)10-2-5(11)9-3-6(12)13/h4H,2-3,8H2,1H3,(H,9,11)(H,10,14)(H,12,13)",C7H13N3O4,,,,,,VGPWRRFOPXVGOH-BYPYZUCNSA-N,,,,,,,,,,,
100.019.604,221-564-6,3147-15-7,"N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',4'-diyl)bis(methylene)]bis[N-(carboxymethyl)glycine]","2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',4'-diyl)bis(methylenenitrilo)]tetraacetic acid",OC(=O)CN(CC(=O)O)Cc1cc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c(CN(CC(=O)O)CC(=O)O)c1O,OC(=O)CN(CC(=O)O)Cc1cc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c(CN(CC(=O)O)CC(=O)O)c1O,"InChI=1/C30H26N2O13/c33-16-5-6-20-22(8-16)44-28-18(10-32(13-25(38)39)14-26(40)41)27(42)15(9-31(11-23(34)35)12-24(36)37)7-21(28)30(20)19-4-2-1-3-17(19)29(43)45-30/h1-8,33,42H,9-14H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)",C30H26N2O13,,,,,,LZWYTBDLXMGUEL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.606,221-566-7,3147-39-5,"Methyl 2,4,6-trihydroxybenzoate","methyl 2,4,6-trihydroxybenzoate",COC(=O)c1c(O)cc(O)cc1O,COC(=O)c1c(O)cc(O)cc1O,"InChI=1/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3",C8H8O5,,,,,,AQDIJIAUYXOCGX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.607,221-567-2,3147-45-3,"2,4-dihydroxybenzamide","2,4-dihydroxybenzamide",NC(=O)c1ccc(O)cc1O,NC(=O)c1ccc(O)cc1O,"InChI=1/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)",C7H7NO3,,,,,,IIUJCQYKTGNRHH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.609,221-569-3,3147-53-3,5-(phenylazo)salicylic acid,2-hydroxy-5-(phenyldiazenyl)benzoic acid,O=C(O)c1cc(ccc1O)N=Nc2ccccc2,O=C(O)c1cc(ccc1O)N=Nc2ccccc2,"InChI=1/C13H10N2O3/c16-12-7-6-10(8-11(12)13(17)18)15-14-9-4-2-1-3-5-9/h1-8,16H,(H,17,18)",C13H10N2O3,,,,,,JHDYSXXPQIFFJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.610,221-570-9,3147-55-5,"3,5-dibromosalicylic acid","3,5-dibromo-2-hydroxybenzoic acid",OC(=O)c1cc(Br)cc(Br)c1O,OC(=O)c1cc(Br)cc(Br)c1O,"InChI=1/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",C7H4Br2O3,,,,,,BFBZHSOXKROMBG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.615,221-576-1,3148-73-0,"N,N'-diacetylhydrazine",N'-acetylacetohydrazide,CC(=O)NNC(=O)C,CC(=O)NNC(=O)C,"InChI=1/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)",C4H8N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12314,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.615,ZLHNYIHIHQEHJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.623,221-585-0,3150-25-2,m-nitrophenyl ß-D-galactopyranoside,3-nitrophenyl beta-D-galactopyranoside,OC[C@H]1O[C@@H](Oc2cccc(c2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Oc2cccc(c2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,VCCMGHVCRFMITI-YBXAARCKSA-N,,,,,,,,,,,
100.018.129,219-941-5,2579-20-6,"1,3-Cyclohexanedimethanamine","cyclohexane-1,3-diyldimethanamine",NCC1CCCC(CN)C1,NCC1CCCC(CN)C1,"InChI=1/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2",C8H18N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15661,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.129,QLBRROYTTDFLDX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.130,219-942-0,2579-22-8,Phenylpropiolaldehyde,3-phenylprop-2-ynal,O=CC#Cc1ccccc1,O=CC#Cc1ccccc1,"InChI=1/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H",C9H6O,,,,,,IDASOVSVRKONFS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.139,219-952-5,2581-34-2,4-nitro-m-cresol,3-methyl-4-nitrophenol,Cc1cc(O)ccc1[N+](=O)[O-],Cc1cc(O)ccc1[N+](=O)[O-],"InChI=1/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3",C7H7NO3,,,,,,PIIZYNQECPTVEO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.140,219-953-0,2581-46-6,4-methyl-2-undecyl-2-oxazoline-4-methanol,"(4-methyl-2-undecyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCCCCCC1=NC(C)(CO)CO1,CCCCCCCCCCCC1=NC(C)(CO)CO1,"InChI=1/C16H31NO2/c1-3-4-5-6-7-8-9-10-11-12-15-17-16(2,13-18)14-19-15/h18H,3-14H2,1-2H3",C16H31NO2,,,,,,JMQRHKPPXPCTGP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.141,219-954-6,2581-69-3,4-[(4-nitrophenyl)azo]-N-phenylaniline,4-[(4-nitrophenyl)diazenyl]-N-phenylaniline,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)Nc2ccccc2)cc3,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)Nc2ccccc2)cc3,"InChI=1/C18H14N4O2/c23-22(24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H",C18H14N4O2,,,,,,YFVXLROHJBSEDW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.144,219-957-2,2582-33-4,"2,6-dibromo-N-4-hydroxyphenyl-p-benzoquinone monoimine","2,6-dibromo-4-[(4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one",Oc1ccc(cc1)N=C2C=C(Br)C(=O)C(=C2)Br,Oc1ccc(cc1)N=C2C=C(Br)C(=O)C(=C2)Br,"InChI=1/C12H7Br2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H",C12H7Br2NO2,,,,,,WCUVWZMIHNUBFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.149,219-963-5,2584-71-6,cis-4-hydroxy-D-proline,4-hydroxy-D-proline,OC(=O)[C@H]1C[C@@H](O)CN1,OC(=O)[C@H]1C[C@@H](O)CN1,"InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)",C5H9NO3,,,,,,PMMYEEVYMWASQN-QWWZWVQMSA-N,,,,,,,,,,,
100.021.193,223-311-5,3818-88-0,Tricyclamol chloride,-,Cl.C[N+]1(CCC(O)(C2CCCCC2)c3ccccc3)CCCC1,Cl.C[N+]1(CCC(O)(C2CCCCC2)c3ccccc3)CCCC1,"InChI=1/C20H32NO.ClH/c1-21(15-8-9-16-21)17-14-20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2,4-5,10-11,19,22H,3,6-9,12-17H2,1H3;1H/q+1;",C20H32NO.Cl,,,,,,PISKUTGWQHZKIK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.195,223-313-6,3/12/3819,"Sodium 4-acetamido-5-hydroxy-6-[(2,3,5-trichloro-6-hydroxyphenyl)azo]naphthalene-1-sulphonate","sodium 4-acetamido-5-hydroxy-6-[(2,3,5-trichloro-6-hydroxyphenyl)diazenyl]naphthalene-1-sulfonate",[Na+].Clc3c(N=Nc2ccc1c(ccc(NC(C)=O)c1c2O)S([O-])(=O)=O)c(O)c(Cl)cc3Cl,[Na+].Clc3c(N=Nc2ccc1c(ccc(NC(C)=O)c1c2O)S([O-])(=O)=O)c(O)c(Cl)cc3Cl,"InChI=1/C18H12Cl3N3O6S.Na/c1-7(25)22-11-4-5-13(31(28,29)30)8-2-3-12(18(27)14(8)11)23-24-16-15(21)9(19)6-10(20)17(16)26;/h2-6,26-27H,1H3,(H,22,25)(H,28,29,30);/q;+1/p-1",C18H12Cl3N3O6S.Na,,,,,,IIUJSCUJANTIPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.021.199,223-317-8,3820-83-5,N-ethylheptadecafluoro-N-[2-(phosphonooxy)ethyl]octanesulphonamide,2-{ethyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl dihydrogen phosphate,CCN(CCOP(=O)(O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H11F17NO6PS/c1-2-30(3-4-36-37(31,32)33)38(34,35)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-4H2,1H3,(H2,31,32,33)",C12H11F17NO6PS,,,,,,JRSUJBJSUYPODE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.209,223-328-8,3839-46-1,Stilben-4-ol,4-(2-phenylvinyl)phenol,Oc1ccc(\\C=C\\c2ccccc2)cc1,Oc1ccc(\C=C\c2ccccc2)cc1,"InChI=1/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H",C14H12O,,,,,,QVLMUEOXQBUPAH-VOTSOKGWSA-N,,,,,,,,,,,
100.021.212,223-331-4,3840-31-1,"3,4,5-trimethoxybenzylic alcohol","(3,4,5-trimethoxyphenyl)methanol",COc1cc(CO)cc(OC)c1OC,COc1cc(CO)cc(OC)c1OC,"InChI=1/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3",C10H14O4,,,,,,QPHLRCUCFDXGLY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.215,223-335-6,3/03/3842,"1,1-diethoxy-3-methylbutane","1,1-diethoxy-3-methylbutane",CCOC(CC(C)C)OCC,CCOC(CC(C)C)OCC,"InChI=1/C9H20O2/c1-5-10-9(11-6-2)7-8(3)4/h8-9H,5-7H2,1-4H3",C9H20O2,,,,,,DDGBOLJFAMEBOE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.220,223-340-3,3844-53-9,Ethyl L-lysinate dihydrochloride,ethyl L-lysinate dihydrochloride,Cl.Cl.CCOC(=O)[C@@H](N)CCCCN,Cl.Cl.CCOC(=O)[C@@H](N)CCCCN,"InChI=1/C8H18N2O2.2ClH/c1-2-12-8(11)7(10)5-3-4-6-9;;/h7H,2-6,9-10H2,1H3;2*1H",C8H18N2O2.2ClH,,,,,,DZIYAIZKJOHVQC-KLXURFKVSA-N,,,,,,,,,,,
100.018.106,219-915-3,4/06/2571,Gallium(3+) acetate,gallium triacetate,[Ga+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Ga+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Ga/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Ga,,,,,,FYWVTSQYJIPZLW-UHFFFAOYSA-K,,,,,,,,,,,
100.018.108,219-917-4,2571-54-2,"2,4,6-trimethoxybenzonitrile","2,4,6-trimethoxybenzonitrile",COc1cc(OC)c(C#N)c(OC)c1,COc1cc(OC)c(C#N)c(OC)c1,"InChI=1/C10H11NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,1-3H3",C10H11NO3,,,,,,GBRHJUMDNWLSCT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.116,219-926-3,2576-84-3,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide dihydrochloride,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide dihydrochloride,Cl.Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,Cl.Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,"InChI=1/C14H22ClN3O2.2ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*1H",C14H22ClN3O2.2ClH,,,,,,HPPDSFRJRMUHSC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.120,219-931-0,2577-46-0,Methyl L-isoleucinate,methyl L-isoleucinate,CCC(C)[C@H](N)C(=O)OC,CCC(C)[C@H](N)C(=O)OC,"InChI=1/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3",C7H15NO2,,,,,,YXMMTUJDQTVJEN-GDVGLLTNSA-N,,,,,,,,,,,
100.018.122,219-933-1,2577-72-2,Metabromsalan,"3,5-dibromo-2-hydroxy-N-phenylbenzamide",Oc1c(Br)cc(Br)cc1C(=O)Nc2ccccc2,Oc1c(Br)cc(Br)cc1C(=O)Nc2ccccc2,"InChI=1/C13H9Br2NO2/c14-8-6-10(12(17)11(15)7-8)13(18)16-9-4-2-1-3-5-9/h1-7,17H,(H,16,18)",C13H9Br2NO2,,,,,,YALKQBRWLMDVSA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.626,221-588-7,3151-59-5,Hetaflur,hexadecan-1-amine hydrofluoride,F.CCCCCCCCCCCCCCCCN,F.CCCCCCCCCCCCCCCCN,"InChI=1/C16H35N.FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h2-17H2,1H3;1H",C16H35N.FH,,,,,,KMXTYZBQPJXGNK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.630,221-592-9,3153-37-5,Methyl 4-chlorobutyrate,methyl 4-chlorobutanoate,COC(=O)CCCCl,COC(=O)CCCCl,"InChI=1/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3",C5H9ClO2,,,,,,ZZUYIRISBMWFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.633,221-596-0,3154-51-6,Ethyl N-formylglycinate,ethyl N-formylglycinate,CCOC(=O)CNC=O,CCOC(=O)CNC=O,"InChI=1/C5H9NO3/c1-2-9-5(8)3-6-4-7/h4H,2-3H2,1H3,(H,6,7)",C5H9NO3,,,,,,GMBCCEOJUWMBPF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.640,221-603-7,3158-98-3,2-amino-5-chloro-a-methylbenzhydryl alcohol,1-(2-amino-5-chlorophenyl)-1-phenylethanol,CC(O)(c1ccccc1)c2cc(Cl)ccc2N,CC(O)(c1ccccc1)c2cc(Cl)ccc2N,"InChI=1/C14H14ClNO/c1-14(17,10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h2-9,17H,16H2,1H3",C14H14ClNO,,,,,,SIGGISMALGOPAO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.374,216-911-3,1695-77-8,Spectinomycin,"4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one",CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O,CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O,"InChI=1/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3",C14H24N2O7,,,,,,UNFWWIHTNXNPBV-WXKVUWSESA-N,,,,,,,,,,,
100.015.502,217-052-7,1731-84-6,Methyl nonanoate,methyl nonanoate,CCCCCCCCC(=O)OC,CCCCCCCCC(=O)OC,"InChI=1/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3",C10H20O2,,,,,,IJXHLVMUNBOGRR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.505,217-055-3,1731-92-6,Methyl heptadecanoate,methyl heptadecanoate,CCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3",C18H36O2,,,,,,HUEBIMLTDXKIPR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.509,217-060-0,1732-10-1,Dimethyl azelate,dimethyl azelaate,COC(=O)CCCCCCCC(=O)OC,COC(=O)CCCCCCCC(=O)OC,"InChI=1/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3",C11H20O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12561,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.509,DRUKNYVQGHETPO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.767,219-543-1,2458-12-0,3-amino-p-toluic acid,3-amino-4-methylbenzoic acid,Cc1ccc(cc1N)C(=O)O,Cc1ccc(cc1N)C(=O)O,"InChI=1/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11)",C8H9NO2,,,,,,XKFIFYROMAAUDL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.770,219-546-8,8/09/2459,Methyl isonicotinate,methyl isonicotinate,COC(=O)c1ccncc1,COC(=O)c1ccncc1,"InChI=1/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3",C7H7NO2,,,,,,OLXYLDUSSBULGU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.771,219-547-3,1/10/2459,"Trimethyl benzene-1,2,4-tricarboxylate","trimethyl benzene-1,2,4-tricarboxylate",COC(=O)c1ccc(C(=O)OC)c(c1)C(=O)OC,COC(=O)c1ccc(C(=O)OC)c(c1)C(=O)OC,"InChI=1/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3",C12H12O6,,,,,,MJHNUUNSCNRGJE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.777,219-554-1,2461-18-9,[(dodecyloxy)methyl]oxirane,2-[(dodecyloxy)methyl]oxirane,CCCCCCCCCCCCOCC1CO1,CCCCCCCCCCCCOCC1CO1,"InChI=1/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h15H,2-14H2,1H3",C15H30O2,,,,,,VMSIYTPWZLSMOH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.785,219-563-0,2463-63-0,Hept-2-enal,hept-2-enal,CCCCC=CC=O,CCCCC=CC=O,"InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3",C7H12O,,,,,,NDFKTBCGKNOHPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.789,219-567-2,2465-27-2,"4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride","4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride",Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,"InChI=1/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H",C17H21N3.ClH,,,,,,KSCQDDRPFHTIRL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.793,219-571-4,2465-92-1,"1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol","1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol",N#CCCOCC(OCCC#N)C(OCCC#N)C(OCCC#N)C(COCCC#N)OCCC#N,N#CCCOCC(OCCC#N)C(OCCC#N)C(OCCC#N)C(COCCC#N)OCCC#N,"InChI=1/C24H32N6O6/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-24H,1-6,13-20H2",C24H32N6O6,,,,,,SIPCQLNTTKBLSF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.799,219-578-2,9/02/2467,"2,2'-methylenediphenol","2,2'-methylenediphenol",Oc1ccccc1Cc2ccccc2O,Oc1ccccc1Cc2ccccc2O,"InChI=1/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2",C13H12O2,,,,,,MQCPOLNSJCWPGT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.800,219-579-8,2467-03-0,o-[(4-hydroxyphenyl)methyl]phenol,2-(4-hydroxybenzyl)phenol,Oc1ccc(Cc2ccccc2O)cc1,Oc1ccc(Cc2ccccc2O)cc1,"InChI=1/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8,14-15H,9H2",C13H12O2,,,,,,LVLNPXCISNPHLE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.801,219-580-3,1/12/2467,Trioctyl borate,trioctyl borate,CCCCCCCCOB(OCCCCCCCC)OCCCCCCCC,CCCCCCCCOB(OCCCCCCCC)OCCCCCCCC,"InChI=1/C24H51BO3/c1-4-7-10-13-16-19-22-26-25(27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51BO3,,,,,,DTBRTYHFHGNZFX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.805,219-585-0,2467-29-0,Sodium 4-hydroxy-3-[[(1-oxooctadecyl)amino]carbonyl]naphthalenesulphonate,sodium 4-hydroxy-3-(stearoylcarbamoyl)naphthalene-1-sulfonate,[Na+].CCCCCCCCCCCCCCCCCC(=O)NC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)NC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)[O-],"InChI=1/C29H43NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(31)30-29(33)25-22-26(37(34,35)36)23-19-17-18-20-24(23)28(25)32;/h17-20,22,32H,2-16,21H2,1H3,(H,30,31,33)(H,34,35,36);/q;+1/p-1",C29H45NO5S.Na,,,,,,GNZRPPOPPXZRST-UHFFFAOYSA-M,,,,,,,,,,,
100.017.809,219-589-2,2469-87-6,"N,N'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)","N,N'-{(6-phenoxy-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]}dibenzamide",O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)nc(Oc9ccccc9)n4)cccc3C(=O)c12)c%10ccccc%10,O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)nc(Oc9ccccc9)n4)cccc3C(=O)c12)c%10ccccc%10,"InChI=1/C51H31N7O7/c59-43-33-22-12-26-37(41(33)45(61)31-20-10-24-35(39(31)43)52-47(63)28-14-4-1-5-15-28)54-49-56-50(58-51(57-49)65-30-18-8-3-9-19-30)55-38-27-13-23-34-42(38)46(62)32-21-11-25-36(40(32)44(34)60)53-48(64)29-16-6-2-7-17-29/h1-27H,(H,52,63)(H,53,64)(H2,54,55,56,57,58)",C51H31N7O7,,,,,,UBZOMZRRLGXNJB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.377,229-014-7,6401-97-4,"2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-imine","5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-imine",CC1=NN(C(=N)C1)c2ccccc2,CC1=NN(C(=N)C1)c2ccccc2,"InChI=1/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3",C10H11N3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12451,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.377,VOQQGERWJRIHIK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.379,229-016-8,8/06/6402,"3-ethyl 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylate","4-[3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",CCOC(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,CCOC(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C12H12N2O6S/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)",C12H12N2O6S,,,,,,ODFCMJFINVPRFA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.384,229-022-0,6404-46-2,"Sodium 4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-1H-naphtho[1,8-de]-1,2,3-triazine-6-sulphonate","sodium 4-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-1H-naphtho[1,8-de][1,2,3]triazine-6-sulfonate",[Na+].[O-][N+](=O)c4cc(N=Nc1cc(c2cccc3N\\N=N/c1c23)S([O-])(=O)=O)c(O)c(Cl)c4,[Na+].[O-][N+](=O)c4cc(N=Nc1cc(c2cccc3N\N=N/c1c23)S([O-])(=O)=O)c(O)c(Cl)c4,"InChI=1/C16H9ClN6O6S.Na/c17-9-4-7(23(25)26)5-12(16(9)24)19-18-11-6-13(30(27,28)29)8-2-1-3-10-14(8)15(11)21-22-20-10;/h1-6,24H,(H,20,21)(H,27,28,29);/q;+1/p-1",C16H9ClN6O6S.Na,,,,,,QTHPYOMZNZUTIF-UHFFFAOYSA-M,,,,,,,,,,,
100.026.385,229-023-6,6404-76-8,1-butyl-4-hydroxy-2-quinolone,1-butyl-4-hydroxyquinolin-2(1H)-one,CCCCN1C(=O)C=C(O)c2ccccc12,CCCCN1C(=O)C=C(O)c2ccccc12,"InChI=1/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7,9,15H,2-3,8H2,1H3",C13H15NO2,,,,,,YHNLJAIQFUBFPF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.386,229-024-1,6405-94-3,"Disodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-diamino-5-methylbenzenesulphonate]","disodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(2,4-diamino-5-methylbenzenesulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c4cc(C)c(N)c(N=Nc1ccc(cc1C)c3ccc(N=Nc2c(N)c(C)cc(c2N)S([O-])(=O)=O)c(C)c3)c4N,[Na+].[Na+].[O-]S(=O)(=O)c4cc(C)c(N)c(N=Nc1ccc(cc1C)c3ccc(N=Nc2c(N)c(C)cc(c2N)S([O-])(=O)=O)c(C)c3)c4N,"InChI=1/C28H30N8O6S2.2Na/c1-13-9-17(5-7-19(13)33-35-27-23(29)15(3)11-21(25(27)31)43(37,38)39)18-6-8-20(14(2)10-18)34-36-28-24(30)16(4)12-22(26(28)32)44(40,41)42;;/h5-12H,29-32H2,1-4H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C28H30N8O6S2.2Na,,,,,,KJPDHFPPVKRMMG-UHFFFAOYSA-L,,,,,,,,,,,
100.026.387,229-025-7,6/10/6406,"5,7-dichloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one","5,7-dichloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one",O=C3c4cc(Cl)cc(Cl)c4NC3=C2Sc1cc(Cl)cc(C)c1C2=O,O=C3c4cc(Cl)cc(Cl)c4NC3=C2Sc1cc(Cl)cc(C)c1C2=O,"InChI=1/C17H8Cl3NO2S/c1-6-2-7(18)5-11-12(6)16(23)17(24-11)14-15(22)9-3-8(19)4-10(20)13(9)21-14/h2-5,21H,1H3",C17H8Cl3NO2S,,,,,,PDNYEKQEUOFYRP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.416,232-360-1,8007-43-0,"Sorbitan, (Z)-9-octadecenoate (2:3)","1,4-anhydro-5,6-di-O-oleoyl-D-glucitol",CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O,"InChI=1/C42H76O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)47-36-38(42-41(46)37(43)35-48-42)49-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-43,46H,3-16,21-36H2,1-2H3",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13736,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.416,TTZKGYULRVDFJJ-GIVMLJSASA-N,,,,,,,,,,,
100.029.449,232-396-8,8013-90-9,Ionone,"4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one",CC(=O)C=CC1=C(C)CCCC1(C)C,CC(=O)C=CC1=C(C)CCCC1(C)C,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3",C13H20O,,,,,,PSQYTAPXSHCGMF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.346,231-181-6,7440-78-0,Pentaerythritol octahydrogen tetraphosphate,"3-(phosphonooxy)-2,2-bis[(phosphonooxy)methyl]propyl dihydrogen phosphate (non-preferred name)",OP(=O)(O)OCC(COP(=O)(O)O)(COP(=O)(O)O)COP(=O)(O)O,OP(=O)(O)OCC(COP(=O)(O)O)(COP(=O)(O)O)COP(=O)(O)O,"InChI=1/C5H16O16P4/c6-22(7,8)18-1-5(2-19-23(9,10)11,3-20-24(12,13)14)4-21-25(15,16)17/h1-4H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)",C5H16O16P4,,,,,,NXWHTQVVOSZLDP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.350,231-185-8,7443-25-6,Dimethyl (p-methoxybenzylidene)malonate,dimethyl (4-methoxybenzylidene)malonate,COC(=O)C(=Cc1ccc(OC)cc1)C(=O)OC,COC(=O)C(=Cc1ccc(OC)cc1)C(=O)OC,"InChI=1/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3",C13H14O5,,,,,,JMFYZMAVUHNCPW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.359,231-195-2,5/09/7446,Sulphur dioxide,oxosulfane oxide,O=S=O,O=S=O,InChI=1/O2S/c1-3-2,O2S,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15352,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.359,RAHZWNYVWXNFOC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.361,231-197-3,9/11/7446,Sulphur trioxide,oxosulfane dioxide,O=S(=O)=O,O=S(=O)=O,InChI=1/O3S/c1-4(2)3,O3S,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15436,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.361,AKEJUJNQAAGONA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.367,231-203-4,7446-26-6,Dizinc pyrophosphate,dizinc diphosphate,[Zn+2].[Zn+2].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Zn+2].[Zn+2].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/H4O7P2.2Zn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4",H4O7P2.2Zn,,,,,,OMSYGYSPFZQFFP-UHFFFAOYSA-J,,,,,,,,,,,
100.028.374,231-211-8,7447-40-7,Potassium chloride,potassium chloride,[Cl-].[K+],[Cl-].[K+],InChI=1/ClH.K/h1H;/q;+1/p-1,ClK,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14341,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.374,WCUXLLCKKVVCTQ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.150,219-964-0,2586-57-4,"Disodium 4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonate","disodium 4-amino-5-hydroxy-6-({4'-[(2-hydroxy-1-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc4c5ccccc5ccc4O)c(OC)c6,[Na+].[Na+].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc4c5ccccc5ccc4O)c(OC)c6,"InChI=1/C34H27N5O10S2.2Na/c1-48-27-15-19(20-8-12-24(28(16-20)49-2)37-39-33-21-6-4-3-5-18(21)9-14-26(33)40)7-11-23(27)36-38-25-13-10-22-29(50(42,43)44)17-30(51(45,46)47)32(35)31(22)34(25)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C34H27N5O10S2.2Na,,,,,,BVHYUJFYDASOKR-UHFFFAOYSA-L,,,,,,,,,,,
100.018.153,219-967-7,2586-89-2,Hept-3-yne,hept-3-yne,CCCC#CCC,CCCC#CCC,"InChI=1/C7H12/c1-3-5-7-6-4-2/h3-5H2,1-2H3",C7H12,,,,,,KLYHSJRCIZOUHE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.157,219-971-9,2587-90-8,Demephion-S,"O,O-dimethyl S-[2-(methylsulfanyl)ethyl] thiophosphate",COP(=O)(OC)SCCSC,COP(=O)(OC)SCCSC,"InChI=1/C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3/h4-5H2,1-3H3",C5H13O3PS2,,,,,,PSTWJANBJOHFQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.163,219-978-7,2589-71-1,p-hydroxyvalerophenone,1-(4-hydroxyphenyl)pentan-1-one,CCCCC(=O)c1ccc(O)cc1,CCCCC(=O)c1ccc(O)cc1,"InChI=1/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3",C11H14O2,,,,,,ZKCJJGOOPOIZTE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.170,219-986-0,2591-86-8,Piperidine-N-carbaldehyde,piperidine-1-carbaldehyde,O=CN1CCCCC1,O=CN1CCCCC1,"InChI=1/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2",C6H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18233,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.170,FEWLNYSYJNLUOO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.171,219-987-6,2592-18-9,N-(tert-butyloxycarbonyl)-L-threonine,N-(tert-butoxycarbonyl)-L-threonine,CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)O,CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C9H17NO5/c1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)",C9H17NO5,,,,,,LLHOYOCAAURYRL-GDVGLLTNSA-N,,,,,,,,,,,
100.015.338,216-871-7,1686-23-3,Oxotripropoxyvanadium,oxo[tris(propan-1-olato)]vanadium,CCCO[V](=O)(OCCC)OCCC,CCCO[V](=O)(OCCC)OCCC,"InChI=1/3C3H7O.O.V/c3*1-2-3-4;;/h3*2-3H2,1H3;;/q3*-1;;+3/rC9H21O4V/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3",C9H21O4V,,,,,,QZCRZRGXAVPBNP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.341,216-874-3,1687-60-1,"N,N'-dihydroxyoxamide","N,N'-dihydroxyethanediamide",ONC(=O)C(=O)NO,ONC(=O)C(=O)NO,"InChI=1/C2H4N2O4/c5-1(3-7)2(6)4-8/h7-8H,(H,3,5)(H,4,6)",C2H4N2O4,,,,,,YCOWFDCCOFCZPM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.342,216-875-9,1687-61-2,6-ethyl-m-cresol,2-ethyl-5-methylphenol,CCc1ccc(C)cc1O,CCc1ccc(C)cc1O,"InChI=1/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,LTRVUFFOMIUCPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.345,216-879-0,1689-64-1,Fluoren-9-ol,9H-fluoren-9-ol,OC1c2ccccc2c3ccccc13,OC1c2ccccc2c3ccccc13,"InChI=1/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H",C13H10O,,,,,,AFMVESZOYKHDBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.346,216-880-6,1689-82-3,4-hydroxyazobenzene,4-(phenyldiazenyl)phenol,Oc1ccc(cc1)N=Nc2ccccc2,Oc1ccc(cc1)N=Nc2ccccc2,"InChI=1/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H",C12H10N2O,,,,,,BEYOBVMPDRKTNR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.349,216-883-2,1689-85-6,"a-cyano-4-hydroxy-3,5-diiodobenzyl acetate","cyano(4-hydroxy-3,5-diiodophenyl)methyl acetate",CC(=O)OC(C#N)c1cc(I)c(O)c(I)c1,CC(=O)OC(C#N)c1cc(I)c(O)c(I)c1,"InChI=1/C10H7I2NO3/c1-5(14)16-9(4-13)6-2-7(11)10(15)8(12)3-6/h2-3,9,15H,1H3",C9H5I2NO2,,,,,,XEOICYOVSDYHBA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.358,216-893-7,1693-28-3,2-(trifluoromethyl)-9H-thioxanthen-9-one,2-(trifluoromethyl)-9H-thioxanthen-9-one,FC(F)(F)c1ccc2Sc3ccccc3C(=O)c2c1,FC(F)(F)c1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H",C14H7F3OS,,,,,,NEWRXGDGZGIHIS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.362,216-897-9,1693-71-6,Triallyl borate,triallyl borate,C=CCOB(OCC=C)OCC=C,C=CCOB(OCC=C)OCC=C,"InChI=1/C9H15BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2",C9H15BO3,,,,,,RQNVJDSEWRGEQR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.500,217-050-6,1731-79-9,Dimethyl dodecanedioate,dimethyl dodecanedioate,COC(=O)CCCCCCCCCCC(=O)OC,COC(=O)CCCCCCCCCCC(=O)OC,"InChI=1/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3",C14H26O4,,,,,,IZMOTZDBVPMOFE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.501,217-051-1,1731-81-3,Undecyl acetate,undecyl acetate,CCCCCCCCCCCOC(=O)C,CCCCCCCCCCCOC(=O)C,"InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3",C13H26O2,,,,,,CKQGCFFDQIFZFA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.766,219-542-6,4/08/2458,"3a,7a-dihydroxy-12-oxo-5ß-cholan-24-oic acid","3,7-dihydroxy-12-oxocholan-24-oic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,"InChI=1/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)",C24H38O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12017,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.766,MIHNUBCEFJLAGN-DMMBONCOSA-N,,,,,,,,,,,
100.019.641,221-604-2,3159-28-2,4-hydroxy-2-butynyl (3-chlorophenyl)carbamate,4-hydroxybut-2-yn-1-yl (3-chlorophenyl)carbamate,OCC#CCOC(=O)Nc1cccc(Cl)c1,OCC#CCOC(=O)Nc1cccc(Cl)c1,"InChI=1/C11H10ClNO3/c12-9-4-3-5-10(8-9)13-11(15)16-7-2-1-6-14/h3-5,8,14H,6-7H2,(H,13,15)",C11H10ClNO3,,,,,,ACYQQFWLJXHFND-UHFFFAOYSA-N,,,,,,,,,,,
100.019.642,221-605-8,3159-62-4,Calcium(2+) 12-hydroxyoctadecanoate,calcium bis(12-hydroxyoctadecanoate),[Ca+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O3.Ca/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H36O3.1/2Ca,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14792,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.642,RXPKHKBYUIHIGL-UHFFFAOYSA-L,,,,,,,,,,,
100.019.648,221-612-6,3160-91-6,Moroxydine hydrochloride,N-carbamimidoylmorpholine-4-carboximidamide hydrochloride,Cl.NC(=N)NC(=N)N1CCOCC1,Cl.NC(=N)NC(=N)N1CCOCC1,"InChI=1/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H",C6H13N5O.ClH,,,,,,FXYZDFSNBBOHTA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.651,221-615-2,3162-96-7,"Methyl 4,6-O-benzylidene-a-D-glucopyranoside","methyl 4,6-O-benzylidene-alpha-D-glucopyranoside",CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H](O)[C@H]1O)c3ccccc3,CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H](O)[C@H]1O)c3ccccc3,"InChI=1/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3",C14H18O6,,,,,,VVSWDMJYIDBTMV-BTZLDLHRSA-N,,,,,,,,,,,
100.019.652,221-616-8,3/07/3163,4-nitroresorcinol,"4-nitrobenzene-1,3-diol",Oc1ccc(c(O)c1)[N+](=O)[O-],Oc1ccc(c(O)c1)[N+](=O)[O-],"InChI=1/C6H5NO4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H",C6H5NO4,,,,,,CYEZXDVLBGFROE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.653,221-617-3,3163-31-3,"N-[4-[[(2,6-dimethyl-4-pyrimidinyl)amino]sulphonyl]phenyl]acetamide","N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide",CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)nc(C)n2,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)nc(C)n2,"InChI=1/C14H16N4O3S/c1-9-8-14(16-10(2)15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)",C14H16N4O3S,,,,,,FLJTYRIRNQBLOK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.647,218-311-7,2114-25-2,"2,2,8,8-tetramethyl-5,5-bis[[(trimethylsilyl)oxy]methyl]-3,7-dioxa-2,8-disilanonane","2,2,8,8-tetramethyl-5,5-bis{[(trimethylsilyl)oxy]methyl}-3,7-dioxa-2,8-disilanonane",C[Si](C)(C)OCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C,C[Si](C)(C)OCC(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C,"InChI=1/C17H44O4Si4/c1-22(2,3)18-13-17(14-19-23(4,5)6,15-20-24(7,8)9)16-21-25(10,11)12/h13-16H2,1-12H3",C17H44O4Si4,,,,,,DCRQMOJXJXVZFC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.657,218-322-7,2117-28-4,Methylenebis[trimethylsilane],methylenebis(trimethylsilane),C[Si](C)(C)C[Si](C)(C)C,C[Si](C)(C)C[Si](C)(C)C,"InChI=1/C7H20Si2/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3",C7H20Si2,,,,,,GYIODRUWWNNGPI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.661,218-326-9,2118-39-0,"Tetrasodium 6-amino-4-hydroxy-3-[[7-sulphonato-4-[(4-sulphonatophenyl)azo]-1-naphthyl]azo]naphthalene-2,7-disulphonate","tetrasodium 6-amino-4-hydroxy-3-({7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5ccc(N=Nc3c(cc2cc(c(N)cc2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5ccc(N=Nc3c(cc2cc(c(N)cc2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O,"InChI=1/C26H19N5O13S4.4Na/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35;;;;/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4",C26H19N5O13S4.4Na,,,,,,BZJNMKDNHPKBHE-UHFFFAOYSA-J,,,,,,,,,,,
100.016.665,218-331-6,2122-61-4,"4-amino-3,5-diiodobenzoic acid","4-amino-3,5-diiodobenzoic acid",Nc1c(I)cc(cc1I)C(=O)O,Nc1c(I)cc(cc1I)C(=O)O,"InChI=1/C7H5I2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)",C7H5I2NO2,,,,,,WXTVPMWCUMEVSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.670,218-336-3,2123-24-2,"Hexahydro-2H-azepin-2-one, sodium salt",-,[Na+].O=C1CCCCCN1,[Na+].O=C1CCCCCN1,"InChI=1/C6H11NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+1",C6H11NO.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10672,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.670,MOMGDEWWZBKDDR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.671,218-337-9,2123-27-5,"2,4-dichlorostyrene","2,4-dichloro-1-vinylbenzene",Clc1ccc(C=C)c(Cl)c1,Clc1ccc(C=C)c(Cl)c1,"InChI=1/C8H6Cl2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2",C8H6Cl2,,,,,,OMNYXCUDBQKCMU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.673,218-340-5,2125-34-0,"1,3,5-trithiane 1,1,3,3,5,5-hexaoxide","1,3,5-trithiane 1,1,3,3,5,5-hexaoxide",O=S1(=O)CS(=O)(=O)CS(=O)(=O)C1,O=S1(=O)CS(=O)(=O)CS(=O)(=O)C1,"InChI=1/C3H6O6S3/c4-10(5)1-11(6,7)3-12(8,9)2-10/h1-3H2",C3H6O6S3,,,,,,DNVUITIVPMGLBU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.679,218-346-8,2129-89-7,Methyldiphenylphosphine oxide,methyl(diphenyl)phosphine oxide,CP(=O)(c1ccccc1)c2ccccc2,CP(=O)(c1ccccc1)c2ccccc2,"InChI=1/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",C13H13OP,,,,,,PEGCITODQASXKH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.680,218-347-3,2129-99-9,"Stearic acid, compound with 2-aminoethanol (1:1)",octadecanoic acid - 2-aminoethanol (1:1),CCCCCCCCCCCCCCCCCC(=O)O.NCCO,CCCCCCCCCCCCCCCCCC(=O)O.NCCO,"InChI=1/C18H36O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2-17H2,1H3,(H,19,20);4H,1-3H2",C18H36O2.C2H7NO,,,,,,XOSCOJBBKOVIOM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.810,219-590-8,2469-99-0,3-oxobutyronitrile,3-oxobutanenitrile,CC(=O)CC#N,CC(=O)CC#N,"InChI=1/C4H5NO/c1-4(6)2-3-5/h2H2,1H3",C4H5NO,,,,,,OPXYNEYEDHAXOM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.258,223-382-2,3863-59-0,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-(dihydrogen phosphate)","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl dihydrogen phosphate",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COP(=O)(O)O)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COP(=O)(O)O)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)",C21H31O8P,,,,,,BGSOJVFOEQLVMH-VWUMJDOOSA-N,,,,,,,,,,,
100.021.259,223-383-8,3864-99-1,"2,4-di-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol","2,4-di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol",CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,"InChI=1/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3",C20H24ClN3O,,,,,,UWSMKYBKUPAEJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.264,223-389-0,3871-20-3,Tris(4-nitrophenyl) phosphate,tris(4-nitrophenyl) phosphate,[O-][N+](=O)c1ccc(OP(=O)(Oc2ccc(cc2)[N+](=O)[O-])Oc3ccc(cc3)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(OP(=O)(Oc2ccc(cc2)[N+](=O)[O-])Oc3ccc(cc3)[N+](=O)[O-])cc1,"InChI=1/C18H12N3O10P/c22-19(23)13-1-7-16(8-2-13)29-32(28,30-17-9-3-14(4-10-17)20(24)25)31-18-11-5-15(6-12-18)21(26)27/h1-12H",C18H12N3O10P,,,,,,RZSPPBDBWOJRII-UHFFFAOYSA-N,,,,,,,,,,,
100.021.267,223-392-7,3871-82-7,1-[3-(p-fluorobenzoyl)propyl]-4-hydroxy-4-(p-tolyl)piperidinium chloride,1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxy-4-(4-methylphenyl)piperidinium chloride,[Cl-].Cc1ccc(cc1)C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2,[Cl-].Cc1ccc(cc1)C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2,"InChI=1/C22H26FNO2.ClH/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18;/h4-11,26H,2-3,12-16H2,1H3;1H",C22H26FNO2.ClH,,,,,,RJTOSFZZYBCYTM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.273,223-399-5,3875-70-5,"Disodium [2,2'-bi-1H-indole]-3,3'-diyl disulphate","disodium 2,2'-biindole-3,3'-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)OC1=C2C=CC=CC2=NC1=C3N=C4C=CC=CC4=C3OS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)OC1=C2C=CC=CC2=NC1=C3N=C4C=CC=CC4=C3OS(=O)(=O)[O-],"InChI=1/C16H10N2O8S2.2Na/c19-27(20,21)25-15-9-5-1-3-7-11(9)17-13(15)14-16(26-28(22,23)24)10-6-2-4-8-12(10)18-14;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C16H12N2O8S2.2Na,,,,,,OHSAXOLUPXSYKL-UHFFFAOYSA-L,,,,,,,,,,,
100.021.277,223-404-0,3878-19-1,Fuberidazole,2-(2-furyl)-1H-benzimidazole,o1cccc1c2nc3ccccc3[nH]2,o1cccc1c2nc3ccccc3[nH]2,"InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)",C11H8N2O,,,,,,UYJUZNLFJAWNEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.279,223-406-1,3878-44-2,Triphenylphosphine selenide,triphenylphosphine selenide,[Se]=P(c1ccccc1)(c2ccccc2)c3ccccc3,[Se]=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H15PSe/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15PSe,,,,,,ZFVJLNKVUKIPPI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.281,223-408-2,3878-55-5,Methyl hydrogen succinate,4-methoxy-4-oxobutanoic acid,COC(=O)CCC(=O)O,COC(=O)CCC(=O)O,"InChI=1/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)",C5H8O4,,,,,,JDRMYOQETPMYQX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.284,223-411-9,2/06/3882,Dicyclohexylammonium nitrate,N-cyclohexylcyclohexanaminium nitrate,[O-][N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2,[O-][N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2,"InChI=1/C12H23N.NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h11-13H,1-10H2;/q;-1/p+1",C12H23N.HNO3,,,,,,XTVCLFHZFUWECQ-UHFFFAOYSA-O,,,,,,,,,,,
100.021.292,223-420-8,3884-95-5,"o-(1,1,3,3-tetramethylbutyl)phenol","2-(1,1,3,3-tetramethylbutyl)phenol",CC(C)(C)CC(C)(C)c1ccccc1O,CC(C)(C)CC(C)(C)c1ccccc1O,"InChI=1/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3",C14H22O,,,,,,XSXWOBXNYNULJG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.294,223-422-9,3886-55-3,"7-methyl-1,2,4-triazolo[4,3-a]pyrimidin-5-ol","7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol",Cc1cc(O)n2cnnc2n1,Cc1cc(O)n2cnnc2n1,"InChI=1/C6H6N4O/c1-4-2-5(11)10-3-7-9-6(10)8-4/h2-3,11H,1H3",C6H6N4O,,,,,,WPBIBPXOGNQYIN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.176,219-992-3,2595-33-7,"2,5-dioxo-D-gluconic acid","hexo-2,5-diulosonic acid",OCC(=O)C(O)C(O)C(=O)C(=O)O,OCC(=O)C(O)C(O)C(=O)C(=O)O,"InChI=1/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13)",C6H8O7,,,,,,RXMWXENJQAINCC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.177,219-993-9,2595-54-2,Mecarbam,ethyl {[(diethoxyphosphorothioyl)sulfanyl]acetyl}methylcarbamate,CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,"InChI=1/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3",C10H20NO5PS2,,,,,,KLGMSAOQDHLCOS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.180,219-997-0,7/03/2597,Phenthoate,ethyl [(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate,CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1,CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1,"InChI=1/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3",C12H17O4PS2,,,,,,XAMUDJHXFNRLCY-UHFFFAOYSA-N,,,,,,,,,,,
100.029.250,232-175-6,7789-57-3,Tribromosilane,tribromosilane,Br[SiH](Br)Br,Br[SiH](Br)Br,InChI=1/Br3HSi/c1-4(2)3/h4H,Br3HSi,,,,,,IBOKZQNMFSHYNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.252,232-177-7,7789-59-5,Phosphoryl tribromide,phosphoric tribromide,BrP(=O)(Br)Br,BrP(=O)(Br)Br,"InChI=1/Br3OP/c1-5(2,3)4",Br3OP,,,,,,UXCDUFKZSUBXGM-UHFFFAOYSA-N,,,,,,,,,,,
100.029.260,232-186-6,7789-69-7,Phosphorus pentabromide,-,[PH6+3].[Br-].[Br-].[Br-].[Br-].[Br-],[PH6+3].[Br-].[Br-].[Br-].[Br-].[Br-],InChI=1/5BrH.H5P/h5*1H;1H5/q;;;;;+3/p-5,Br5P,,,,,,SMAKFEDBBMLFOF-UHFFFAOYSA-I,,,,,,,,,,,
100.026.756,229-430-9,6531-86-8,2-cyclohexylcyclohexanol,"1,1'-bi(cyclohexyl)-2-ol",OC1CCCCC1C2CCCCC2,OC1CCCCC1C2CCCCC2,"InChI=1/C12H22O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-13H,1-9H2",C12H22O,,,,,,YTWWBKKPWACPPB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.757,229-431-4,6532-76-9,Erythro-3-hydroxy-DL-aspartic acid,3-hydroxyaspartic acid,O=C(O)C(N)[C@H](O)C(O)=O,O=C(O)C(N)[C@H](O)C(O)=O,"InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)",C4H7NO5,,,,,,YYLQUHNPNCGKJQ-ASHVXDOASA-N,,,,,,,,,,,
100.026.760,229-435-6,6534-28-7,"N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bisacetamide","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diacetamide",CC(=O)Nc1ccc(NC(=O)C)c2C(=O)c3ccccc3C(=O)c12,CC(=O)Nc1ccc(NC(=O)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H14N2O4/c1-9(21)19-13-7-8-14(20-10(2)22)16-15(13)17(23)11-5-3-4-6-12(11)18(16)24/h3-8H,1-2H3,(H,19,21)(H,20,22)",C18H14N2O4,,,,,,KPHHXNVVLVNAMV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.763,229-438-2,6535-20-2,"Octanoic acid, iron salt",-,[Fe+2].OC(=O)CCCCCCC,[Fe+2].OC(=O)CCCCCCC,"InChI=1/C8H16O2.Fe/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+2",C8H16O2.xFe,,,,,,BKBFGONXMQOQSI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.769,229-445-0,6535-70-2,"2-amino-5-hydroxynaphthalene-1,7-disulphonic acid","2-amino-5-hydroxynaphthalene-1,7-disulfonic acid",Nc1ccc2c(O)cc(cc2c1S(=O)(=O)O)S(=O)(=O)O,Nc1ccc2c(O)cc(cc2c1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)",C10H9NO7S2,,,,,,HIVUAOXLSJITPA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.773,229-449-2,6537-68-4,"[2,2'-bi-1H-indole]-3,3'-diol","2,2'-biindole-3,3'-diol",OC1=C2C=CC=CC2=NC1=C3N=C4C=CC=CC4=C3O,OC1=C2C=CC=CC2=NC1=C3N=C4C=CC=CC4=C3O,"InChI=1/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,19-20H",C16H12N2O2,,,,,,NGLOERAXQPZMBX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.774,229-450-8,6537-83-3,"2,4,6,8-tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate","2,4,6,8-tetranitro-11-oxo-10-oxa-2,4,6,8-tetraazadodec-1-yl acetate (non-preferred name)",CC(=O)OCN(CN(CN(CN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CC(=O)OCN(CN(CN(CN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C9H16N8O12/c1-8(18)28-6-12(16(24)25)4-10(14(20)21)3-11(15(22)23)5-13(17(26)27)7-29-9(2)19/h3-7H2,1-2H3",C9H16N8O12,,,,,,LDBSGTRAQJIAIE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.776,229-452-9,6539-57-7,"2-amino-1-(3,4-dihydroxyphenyl)propan-1-ol","4-(2-amino-1-hydroxypropyl)benzene-1,2-diol",CC(N)C(O)c1ccc(O)c(O)c1,CC(N)C(O)c1ccc(O)c(O)c1,"InChI=1/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3",C9H13NO3,,,,,,GEFQWZLICWMTKF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.777,229-453-4,6539-67-9,"3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,5-disulphonic acid","3-({2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl)naphthalene-1,5-disulfonic acid",Nc4nc(Nc3cc(NC(C)=O)c(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4,Nc4nc(Nc3cc(NC(C)=O)c(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4,"InChI=1/C21H17ClN8O7S2/c1-10(31)24-16-8-11(25-21-27-19(22)26-20(23)28-21)5-6-15(16)30-29-12-7-14-13(18(9-12)39(35,36)37)3-2-4-17(14)38(32,33)34/h2-9H,1H3,(H,24,31)(H,32,33,34)(H,35,36,37)(H3,23,25,26,27,28)",C21H17ClN8O7S2,,,,,,ASDREVVGQFYRTH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.786,229-463-9,6547-53-1,4-benzyloxyphenylacetic acid,[4-(benzyloxy)phenyl]acetic acid,OC(=O)Cc1ccc(OCc2ccccc2)cc1,OC(=O)Cc1ccc(OCc2ccccc2)cc1,"InChI=1/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)",C15H14O3,,,,,,XJHGAJLIKDAOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.794,229-472-8,6552-45-0,a-cyclopropyl-4-methoxybenzyl alcohol,cyclopropyl(4-methoxyphenyl)methanol,COc1ccc(cc1)C(O)C2CC2,COc1ccc(cc1)C(O)C2CC2,"InChI=1/C11H14O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11-12H,2-3H2,1H3",C11H14O2,,,,,,BXGGHJJXFQJIDE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.390,229-028-3,6406-37-7,Disodium 3-methyl-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]salicylate,disodium 2-hydroxy-3-methyl-5-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)benzoate,[Na+].[Na+].Cc3cc(N=Nc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2)cc(C([O-])=O)c3O,[Na+].[Na+].Cc3cc(N=Nc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2)cc(C([O-])=O)c3O,"InChI=1/C20H16N4O6S.2Na/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30;;/h2-11,25H,1H3,(H,26,27)(H,28,29,30);;/q;2*+1/p-2",C20H16N4O6S.2Na,,,,,,QDIHQVJQQREQPW-UHFFFAOYSA-L,,,,,,,,,,,
100.017.769,219-545-2,6/07/2459,Methyl pyridine-2-carboxylate,methyl pyridine-2-carboxylate,COC(=O)c1ccccn1,COC(=O)c1ccccn1,"InChI=1/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3",C7H7NO2,,,,,,NMMIHXMBOZYNET-UHFFFAOYSA-N,,,,,,,,,,,
100.017.772,219-548-9,2459-82-7,"3-[(9,10-dioxo-9,10-dihydro-1-anthryl)amino]-5,10-dihydroanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione","3-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]anthra[2,1,9-mna]benzo[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione",O=C1c2ccccc2C(=O)c3c(Nc4ccc5c(c4)C(=O)c6ccc7c8ccc9C(=O)c%10ccccc%10c%11nn(c%12ccc5c6c7%12)c8c9%11)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccc5c(c4)C(=O)c6ccc7c8ccc9C(=O)c%10ccccc%10c%11nn(c%12ccc5c6c7%12)c8c9%11)cccc13,"InChI=1/C45H21N3O4/c49-42-27-7-2-1-6-25(27)40-39-32(42)17-15-26-24-14-16-31-36-23(18-19-35(38(24)36)48(47-40)41(26)39)22-13-12-21(20-33(22)44(31)51)46-34-11-5-10-30-37(34)45(52)29-9-4-3-8-28(29)43(30)50/h1-20,46H",C45H21N3O4,,,,,,KCANGUHHIFSUOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.778,219-555-7,2461-42-9,[(naphthyloxy)methyl]oxirane,2-[(1-naphthyloxy)methyl]oxirane,C(Oc1cccc2ccccc12)C3CO3,C(Oc1cccc2ccccc12)C3CO3,"InChI=1/C13H12O2/c1-2-6-12-10(4-1)5-3-7-13(12)15-9-11-8-14-11/h1-7,11H,8-9H2",C13H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17936,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.778,QYYCPWLLBSSFBW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.779,219-556-2,2461-46-3,"4,4'-bis(2,3-epoxypropoxy)biphenyl","2,2'-[biphenyl-4,4'-diylbis(oxymethylene)]dioxirane",C(Oc1ccc(cc1)c2ccc(OCC3CO3)cc2)C4CO4,C(Oc1ccc(cc1)c2ccc(OCC3CO3)cc2)C4CO4,"InChI=1/C18H18O4/c1-5-15(19-9-17-11-21-17)6-2-13(1)14-3-7-16(8-4-14)20-10-18-12-22-18/h1-8,17-18H,9-12H2",C18H18O4,,,,,,OZRVXYJWUUMVOW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.787,219-565-1,2464-37-1,2-chloro-9-hydroxy-9H-fluorene-9-carboxylic acid,2-chloro-9-hydroxy-9H-fluorene-9-carboxylic acid,OC(=O)C1(O)c2ccccc2c3ccc(Cl)cc13,OC(=O)C1(O)c2ccccc2c3ccc(Cl)cc13,"InChI=1/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)",C14H9ClO3,,,,,,SVOAUHHKPGKPQK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.790,219-568-8,2465-29-4,"3,6-bis(methylamino)xanthylium chloride","3,6-bis(methylamino)xanthenium chloride",[Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1,[Cl-].CNc1ccc2cc3ccc(NC)cc3[o+]c2c1,"InChI=1/C15H15N2O.ClH/c1-16-12-5-3-10-7-11-4-6-13(17-2)9-15(11)18-14(10)8-12;/h3-9,16-17H,1-2H3;1H/q+1;/p-1",C15H15N2O.Cl,,,,,,LVTJVPFKMWROEK-UHFFFAOYSA-M,,,,,,,,,,,
100.017.792,219-570-9,2465-59-0,Oxipurinol,"4-hydroxy-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one",O/C1=N/C(=O)/N=C\\2/NN\\C=C1/2,O/C1=N/C(=O)/N=C\2/NN\C=C1/2,"InChI=1/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)",C5H4N4O2,,,,,,HXNFUBHNUDHIGC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.798,219-577-7,2466-76-4,N-acetylimidazole,1-acetyl-1H-imidazole,CC(=O)n1ccnc1,CC(=O)n1ccnc1,"InChI=1/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3",C5H6N2O,,,,,,VIHYIVKEECZGOU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.806,219-586-6,2468-21-5,"Methyl (2a,5ß,6a)-3,4-didehydroibogamine-18ß-carboxylate","methyl 3,4-didehydroibogamine-18-carboxylate",CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC,CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC,"InChI=1/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3",C21H24N2O2,,,,,,CMKFQVZJOWHHDV-NQZBTDCJSA-N,,,,,,,,,,,
100.017.808,219-588-7,2469-55-8,"3,3'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bispropylamine","3,3'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropan-1-amine",C[Si](C)(CCCN)O[Si](C)(C)CCCN,C[Si](C)(CCCN)O[Si](C)(C)CCCN,"InChI=1/C10H28N2OSi2/c1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h5-12H2,1-4H3",C10H28N2OSi2,,,,,,GPXCORHXFPYJEH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.811,219-591-3,2470-73-7,2-[2-[4-[2-methyl-3-(10H-phenothiazin-10-yl)propyl]piperazin-1-yl]ethoxy]ethanol,2-(2-{4-[2-methyl-3-(10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethoxy)ethanol,CC(CN1CCN(CCOCCO)CC1)CN2c3ccccc3Sc4ccccc24,CC(CN1CCN(CCOCCO)CC1)CN2c3ccccc3Sc4ccccc24,"InChI=1/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3",C24H33N3O2S,,,,,,MSYUMPGNGDNTIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.250,223-373-3,3860-63-7,"1,5-dihydroxy-4,8-bis(methylamino)anthraquinone","1,5-dihydroxy-4,8-bis(methylamino)-9,10-anthraquinone",CNc1ccc(O)c2C(=O)c3c(NC)ccc(O)c3C(=O)c12,CNc1ccc(O)c2C(=O)c3c(NC)ccc(O)c3C(=O)c12,"InChI=1/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)14-10(20)6-4-8(18-2)12(14)16(13)22/h3-6,17-20H,1-2H3",C16H14N2O4,,,,,,OKZNPGWYVNZKKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.252,223-375-4,3861-47-0,"4-cyano-2,6-diiodophenyl octanoate","4-cyano-2,6-diiodophenyl octanoate",CCCCCCCC(=O)Oc1c(I)cc(cc1I)C#N,CCCCCCCC(=O)Oc1c(I)cc(cc1I)C#N,"InChI=1/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3",C15H17I2NO2,,,,,,QBEXFUOWUYCXNI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.256,223-380-1,6/08/3862,Tris(o-ethylphenyl) phosphate,tris(2-ethylphenyl) phosphate,CCc1ccccc1OP(=O)(Oc2ccccc2CC)Oc3ccccc3CC,CCc1ccccc1OP(=O)(Oc2ccccc2CC)Oc3ccccc3CC,"InChI=1/C24H27O4P/c1-4-19-13-7-10-16-22(19)26-29(25,27-23-17-11-8-14-20(23)5-2)28-24-18-12-9-15-21(24)6-3/h7-18H,4-6H2,1-3H3",C24H27O4P,,,,,,DTOOHWOPSUKNJL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.688,218-356-2,2131-41-1,"1,4,5-trimethylnaphthalene","1,4,5-trimethylnaphthalene",Cc1ccc(C)c2c(C)cccc12,Cc1ccc(C)c2c(C)cccc12,"InChI=1/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3",C13H14,,,,,,FSAWRQYDMHSDRN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.691,218-359-9,2131-61-5,4-nitrobenzyl-isothiocyanate,1-(isothiocyanatomethyl)-4-nitrobenzene,[O-][N+](=O)c1ccc(CN=C=S)cc1,[O-][N+](=O)c1ccc(CN=C=S)cc1,"InChI=1/C8H6N2O2S/c11-10(12)8-3-1-7(2-4-8)5-9-6-13/h1-4H,5H2",C7H4N2O2S,,,,,,JWOKKQMVHMZXEB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.692,218-360-4,2131-64-8,"4-isothiocyanato-N,N-dimethylaniline","4-isothiocyanato-N,N-dimethylaniline",CN(C)c1ccc(cc1)N=C=S,CN(C)c1ccc(cc1)N=C=S,"InChI=1/C9H10N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3",C9H10N2S,,,,,,HRDJPEMAGYHSJR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.992,217-590-2,1897-89-8,Piriqualone,3-(2-methylphenyl)-2-(2-pyridin-2-ylvinyl)quinazolin-4(3H)-one,Cc4ccccc4N2C(=O)c3ccccc3\\N=C2\\C=Cc1ccccn1,Cc4ccccc4N2C(=O)c3ccccc3\N=C2\C=Cc1ccccn1,"InChI=1/C22H17N3O/c1-16-8-2-5-12-20(16)25-21(14-13-17-9-6-7-15-23-17)24-19-11-4-3-10-18(19)22(25)26/h2-15H,1H3",C22H17N3O,,,,,,MYGZNGAHFWOCLI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.993,217-591-8,1898-66-4,"2,2-diphenyl-1-picrylhydrazyl","1,1-diphenyl-2-(2,4,6-trinitrophenyl)hydrazine",O=N(=O)c1cc(c(NN(c2ccccc2)c3ccccc3)c(c1)N(=O)=O)N(=O)=O,O=N(=O)c1cc(c(NN(c2ccccc2)c3ccccc3)c(c1)N(=O)=O)N(=O)=O,"InChI=1/C18H13N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H",C18H12N5O6,,,,,,WCBPJVKVIMMEQC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.998,217-597-0,1900-52-3,(3ß)-stigmast-5-en-3-yl benzoate,stigmast-5-en-3-yl benzoate,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5)C(C)C,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5)C(C)C,"InChI=1/C36H54O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15,24-26,29-33H,7,13-14,16-23H2,1-6H3",C36H54O2,,,,,,WFQRUMHMFCGSRO-XKKOIZAZSA-N,,,,,,,,,,,
100.015.999,217-598-6,1900-69-2,trans-4-tert-butylcyclohexyl acetate,4-tert-butylcyclohexyl acetate,CC(=O)O[C@@H]1CC[C@H](CC1)C(C)(C)C,CC(=O)O[C@@H]1CC[C@H](CC1)C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,,,,,,MBZRJSQZCBXRGK-XYPYZODXSA-N,,,,,,,,,,,
100.016.015,217-615-7,1910-42-5,Paraquat-dichloride,"1,1'-dimethyl-4,4'-bipyridinium dichloride",[Cl-].[Cl-].C[n+]1ccc(cc1)c2cc[n+](C)cc2,[Cl-].[Cl-].C[n+]1ccc(cc1)c2cc[n+](C)cc2,"InChI=1/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2",C12H14N2.2Cl,,,,,,FIKAKWIAUPDISJ-UHFFFAOYSA-L,,,,,,,,,,,
100.016.023,217-624-6,1912-83-0,Tin di(octanoate),-,[Sn+4].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Sn+4].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Sn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+4/p-2",C8H16O2.1/2Sn,,,,,,GAMCTYJKSYDYAE-UHFFFAOYSA-L,,,,,,,,,,,
100.016.025,217-626-7,8/12/1913,"4-tert-butyl hydrogen N-[(tert-butoxy)carbonyl]-L-aspartate, compound with dicyclohexylamine (1:1)",4-tert-butoxy-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid - N-cyclohexylcyclohexanamine (1:1) (non-preferred name),CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2",C13H23NO6.C12H23N,,,,,,OMYRDWOMNDCKEJ-QRPNPIFTSA-N,,,,,,,,,,,
100.016.026,217-627-2,1913-93-5,"N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)glycine","N-carboxy-N-(2-hydroxy-5-{[1-(4-hydroxy-2-methylbenzyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]methyl}-3-isopropyl-6-methylbenzyl)glycine",CC(C)c1cc(CC2(Cc3ccc(O)cc3C)OC(=O)c4ccccc24)c(C)c(CN(CC(=O)O)C(=O)O)c1O,CC(C)c1cc(CC2(Cc3ccc(O)cc3C)OC(=O)c4ccccc24)c(C)c(CN(CC(=O)O)C(=O)O)c1O,"InChI=1/C31H33NO8/c1-17(2)24-12-21(19(4)25(28(24)36)15-32(30(38)39)16-27(34)35)14-31(13-20-9-10-22(33)11-18(20)3)26-8-6-5-7-23(26)29(37)40-31/h5-12,17,33,36H,13-16H2,1-4H3,(H,34,35)(H,38,39)",C38H44N2O12,,,,,,IFXOZCCPSKYUSM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.031,217-633-5,1917-95-9,"Hexyl 2,4-dichlorophenoxyacetate","hexyl (2,4-dichlorophenoxy)acetate",CCCCCCOC(=O)COc1ccc(Cl)cc1Cl,CCCCCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C14H18Cl2O3/c1-2-3-4-5-8-18-14(17)10-19-13-7-6-11(15)9-12(13)16/h6-7,9H,2-5,8,10H2,1H3",C14H18Cl2O3,,,,,,OXMFKAXXVZLYAE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.032,217-634-0,1917-96-0,"Heptyl 2,4-dichlorophenoxyacetate","heptyl (2,4-dichlorophenoxy)acetate",CCCCCCCOC(=O)COc1ccc(Cl)cc1Cl,CCCCCCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C15H20Cl2O3/c1-2-3-4-5-6-9-19-15(18)11-20-14-8-7-12(16)10-13(14)17/h7-8,10H,2-6,9,11H2,1H3",C15H20Cl2O3,,,,,,HZQJGWTYZAWPLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.037,217-639-8,1918-77-0,2-thienylacetic acid,2-thienylacetic acid,OC(=O)Cc1cccs1,OC(=O)Cc1cccs1,"InChI=1/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)",C6H6O2S,,,,,,SMJRBWINMFUUDS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.038,217-640-3,1918-79-2,5-methylthiophene-2-carboxylic acid,5-methylthiophene-2-carboxylic acid,Cc1ccc(s1)C(=O)O,Cc1ccc(s1)C(=O)O,"InChI=1/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)",C6H6O2S,,,,,,VCNGNQLPFHVODE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.187,220-004-8,2/07/2601,3ß-hydroxy-5ß-pregn-16-en-20-one 3-acetate,20-oxopregn-16-en-3-yl acetate,CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4C(=O)C)C1,CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4C(=O)C)C1,"InChI=1/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21H,5-6,8-13H2,1-4H3",C23H34O3,,,,,,YFMSIVMSEGIVCP-VLBJDTNOSA-N,,,,,,,,,,,
100.018.194,220-012-1,2602-46-2,"Tetrasodium 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonate]","tetrasodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(N)c1c(O)c6N=Nc2ccc(cc2)c3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(N)c1c(O)c6N=Nc2ccc(cc2)c3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C32H24N6O14S4.4Na/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40;;;;/h1-14,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4",C32H24N6O14S4.4Na,,,,,,MPCYPRXRVWZKGF-UHFFFAOYSA-J,,,,,,,,,,,
100.018.202,220-021-0,2606-93-1,"Disodium 4,4'-bis(3-phenylureido)stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(phenylcarbamoyl)amino]benzenesulfonate}",[Na+].[Na+].[O-]S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1\\C=C\\c3ccc(NC(=O)Nc4ccccc4)cc3S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1\C=C\c3ccc(NC(=O)Nc4ccccc4)cc3S(=O)(=O)[O-],"InChI=1/C28H24N4O8S2.2Na/c33-27(29-21-7-3-1-4-8-21)31-23-15-13-19(25(17-23)41(35,36)37)11-12-20-14-16-24(18-26(20)42(38,39)40)32-28(34)30-22-9-5-2-6-10-22;;/h1-18H,(H2,29,31,33)(H2,30,32,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C28H24N4O8S2.2Na,,,,,,OMYYIKYIUKPRDH-YHPRVSEPSA-L,,,,,,,,,,,
100.018.205,220-024-7,2609-46-3,Amiloride,"3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide",NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,"InChI=1/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)",C6H8ClN7O,,,,,,XSDQTOBWRPYKKA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.206,220-025-2,2609-88-3,"Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium","4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate",CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC,CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC,"InChI=1/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p-1",C27H30N2O7S2,,,,,,ADJQRGWIRUKLEE-UHFFFAOYSA-L,,,,,,,,,,,
100.018.212,220-032-0,1/02/2611,Cyclohexylmethyl cyclohexanecarboxylate,cyclohexylmethyl cyclohexanecarboxylate,O=C(OCC1CCCCC1)C2CCCCC2,O=C(OCC1CCCCC1)C2CCCCC2,"InChI=1/C14H24O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h12-13H,1-11H2",C14H24O2,,,,,,XWINVLMFYISLRL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.213,220-033-6,2611-61-2,"2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl [R-(R*,R*)]aminoacetate monohydrochloride",2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride,Cl.CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@H](COC(=O)CN)NC(=O)C(Cl)Cl,Cl.CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@H](COC(=O)CN)NC(=O)C(Cl)Cl,"InChI=1/C14H18Cl2N2O6S.ClH/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1H",C14H18Cl2N2O6S.ClH,,,,,,DKXJDBJNAXSJDH-XOZOLZJESA-N,,,,,,,,,,,
100.018.217,220-037-8,4/02/2612,Acid5-methoxysalicylic,2-hydroxy-5-methoxybenzoic acid,COc1ccc(O)c(c1)C(=O)O,COc1ccc(O)c(c1)C(=O)O,"InChI=1/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)",C8H8O4,,,,,,IZZIWIAOVZOBLF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.516,217-067-9,1733-25-1,Isopropyl 2-methylcrotonate,isopropyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OC(C)C,C\C=C(/C)\C(=O)OC(C)C,"InChI=1/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3",C8H14O2,,,,,,VUPBIVVRPJDWNW-FNORWQNLSA-N,,,,,,,,,,,
100.015.519,217-071-0,1733-88-6,Potassium phenyl sulphate,potassium phenyl sulfate,[K+].[O-]S(=O)(=O)Oc1ccccc1,[K+].[O-]S(=O)(=O)Oc1ccccc1,"InChI=1/C6H6O4S.K/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1",C6H6O4S.K,,,,,,NOUFXYHWAWIDNT-UHFFFAOYSA-M,,,,,,,,,,,
100.015.522,217-074-7,1733-96-6,Dodecyl(dimethyl)(naphthylmethyl)ammonium chloride,"N,N-dimethyl-N-(1-naphthylmethyl)dodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12,[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12,"InChI=1/C25H40N.ClH/c1-4-5-6-7-8-9-10-11-12-15-21-26(2,3)22-24-19-16-18-23-17-13-14-20-25(23)24;/h13-14,16-20H,4-12,15,21-22H2,1-3H3;1H/q+1;/p-1",C25H40N.Cl,,,,,,UTKUXSTWKJCLJX-UHFFFAOYSA-M,,,,,,,,,,,
100.015.538,217-092-5,1738-36-9,Methoxyacetonitrile,methoxyacetonitrile,COCC#N,COCC#N,"InChI=1/C3H5NO/c1-5-3-2-4/h3H2,1H3",C3H5NO,,,,,,QKPVEISEHYYHRH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.546,217-100-7,1739-83-9,"1,2,4,5-tetramethyl-1H-imidazole","1,2,4,5-tetramethyl-1H-imidazole",Cc1nc(C)n(C)c1C,Cc1nc(C)n(C)c1C,InChI=1/C7H12N2/c1-5-6(2)9(4)7(3)8-5/h1-4H3,C7H12N2,,,,,,WLUJHMKCLOIRSK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.404,229-044-0,6407-80-3,4-hydroxy-3-(phenylazo)-2-quinolone,4-hydroxy-3-(phenyldiazenyl)quinolin-2(1H)-one,OC=2c3ccccc3NC(=O)C=2N=Nc1ccccc1,OC=2c3ccccc3NC(=O)C=2N=Nc1ccccc1,"InChI=1/C15H11N3O2/c19-14-11-8-4-5-9-12(11)16-15(20)13(14)18-17-10-6-2-1-3-7-10/h1-9H,(H2,16,19,20)",C15H11N3O2,,,,,,XCFGSTMILLZSFI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.417,229-058-7,6408-45-3,1-amino-4-(cyclohexylamino)anthraquinone,"1-amino-4-(cyclohexylamino)-9,10-anthraquinone",Nc1ccc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13,Nc1ccc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H20N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h4-5,8-12,22H,1-3,6-7,21H2",C20H20N2O2,,,,,,KXKQOXULEPSPIU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.250,227-774-4,5977-14-0,Acetoacetamide,3-oxobutanamide,CC(=O)CC(=O)N,CC(=O)CC(=O)N,"InChI=1/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)",C4H7NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11499,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.250,GCPWJFKTWGFEHH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.254,227-779-1,5978-81-4,Apoatropine hydrochloride,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 2-phenylacrylate hydrochloride,Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(=C)c3ccccc3,Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(=C)c3ccccc3,"InChI=1/C17H21NO2.ClH/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2;/h3-7,14-16H,1,8-11H2,2H3;1H",C17H21NO2.ClH,,,,,,RALAARQREFCZJO-CNKDKAJDSA-N,,,,,,,,,,,
100.029.281,232-208-4,7790-47-8,Tin tetraiodide,tin(4+) tetraiodide,[Sn+4].[I-].[I-].[I-].[I-],[Sn+4].[I-].[I-].[I-].[I-],InChI=1/4HI.Sn/h4*1H;/q;;;;+4/p-4,I4Sn,,,,,,QPBYLOWPSRZOFX-UHFFFAOYSA-J,,,,,,,,,,,
100.029.288,232-216-8,7790-62-7,Dipotassium disulphate,dipotassium disulphate,[K+].[K+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+1;;/p-4",H2O7S2.2K,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11493,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.288,ZRVNHXQGRJLLIT-UHFFFAOYSA-J,,,,,,,,,,,
100.029.290,232-218-9,7790-69-4,Lithium nitrate,lithium nitrate,[Li+].[O-][N+](=O)[O-],[Li+].[O-][N+](=O)[O-],InChI=1/Li.NO3/c;2-1(3)4/q+1;-1,HNO3.Li,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13673,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.290,IIPYXGDZVMZOAP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.303,232-233-0,7790-93-4,Chloric acid,chloric acid,OCl(=O)=O,OCl(=O)=O,"InChI=1/ClHO3/c2-1(3)4/h(H,2,3,4)",ClHO3,,,,,,XTEGARKTQYYJKE-UHFFFAOYSA-N,,,,,,,,,,,
100.029.304,232-234-6,7790-94-5,Chlorosulphuric acid,chlorosulfuric acid,OS(=O)(=O)Cl,OS(=O)(=O)Cl,"InChI=1/ClHO3S/c1-5(2,3)4/h(H,2,3,4)",ClHO3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11125,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.304,XTHPWXDJESJLNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.314,232-245-6,7791-25-5,Sulphuryl dichloride,sulfuryl dichloride,ClS(=O)(=O)Cl,ClS(=O)(=O)Cl,"InChI=1/Cl2O2S/c1-5(2,3)4",Cl2O2S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1973,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.314,YBBRCQOCSYXUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.029.328,232-260-8,7803-51-2,Phosphine,phosphine,P,P,InChI=1/H3P/h1H3,H3P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18616,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.328,XYFCBTPGUUZFHI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.796,229-474-9,6553-80-6,Isopropyl cyclohexanecarboxylate,isopropyl cyclohexanecarboxylate,CC(C)OC(=O)C1CCCCC1,CC(C)OC(=O)C1CCCCC1,"InChI=1/C10H18O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",C10H18O2,,,,,,PMQZNGSMBAGPRU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.815,229-495-3,6575-00-4,"3,5-dichlorobenzonitrile","3,5-dichlorobenzonitrile",Clc1cc(Cl)cc(c1)C#N,Clc1cc(Cl)cc(c1)C#N,InChI=1/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,C7H3Cl2N,,,,,,PUJSUOGJGIECFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.816,229-496-9,1/07/6575,6-chloro-2-nitrobenzonitrile,2-chloro-6-nitrobenzonitrile,[O-][N+](=O)c1cccc(Cl)c1C#N,[O-][N+](=O)c1cccc(Cl)c1C#N,InChI=1/C7H3ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H,C7H3ClN2O2,,,,,,ZHLCARBDIRRRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.817,229-497-4,2/08/6575,2-bromo-6-chlorobenzonitrile,2-bromo-6-chlorobenzonitrile,Clc1cccc(Br)c1C#N,Clc1cccc(Br)c1C#N,InChI=1/C7H3BrClN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,C7H3BrClN,,,,,,NVPXACXEVCJWCF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.829,229-511-9,6582-42-9,"3',4'-dichloropropiophenone","1-(3,4-dichlorophenyl)propan-1-one",CCC(=O)c1ccc(Cl)c(Cl)c1,CCC(=O)c1ccc(Cl)c(Cl)c1,"InChI=1/C9H8Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3",C9H8Cl2O,,,,,,FKGDMSJKLIQBQS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.835,229-518-7,6587-80-0,"1',3'-dihydro-7-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]","7-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]",COc1cc2OC3(C=Cc2cc1[N+](=O)[O-])N(C)c4ccccc4C3(C)C,COc1cc2OC3(C=Cc2cc1[N+](=O)[O-])N(C)c4ccccc4C3(C)C,"InChI=1/C20H20N2O4/c1-19(2)14-7-5-6-8-15(14)21(3)20(19)10-9-13-11-16(22(23)24)18(25-4)12-17(13)26-20/h5-12H,1-4H3",C20H20N2O4,,,,,,YVXQOVOKDWEDNL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.838,229-521-3,6589-36-2,3-sec-butyl-6-methyluracil,"3-sec-butyl-6-methylpyrimidine-2,4(1H,3H)-dione",CCC(C)N1C(=O)NC(=CC1=O)C,CCC(C)N1C(=O)NC(=CC1=O)C,"InChI=1/C9H14N2O2/c1-4-7(3)11-8(12)5-6(2)10-9(11)13/h5,7H,4H2,1-3H3,(H,10,13)",C9H14N2O2,,,,,,JXSCGNUFPLOCLH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.260,223-384-3,3865-34-7,Dimethylbis(oleoyloxy)stannane,dimethyl[bis(oleoyloxy)]stannane,CCCCCCCC\\C=C/CCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/2C18H34O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1H3;/q;;;;+2/p-2/rC38H72O4Sn/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39)41-43(3,4)42-38(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-36H2,1-4H3",C38H72O4Sn,,,,,,PGQPMLCDSAVZNJ-BGSQTJHASA-L,,,,,,,,,,,
100.021.265,223-390-6,3871-31-6,Tris(4-chlorophenyl) phosphate,tris(4-chlorophenyl) phosphate,Clc1ccc(OP(=O)(Oc2ccc(Cl)cc2)Oc3ccc(Cl)cc3)cc1,Clc1ccc(OP(=O)(Oc2ccc(Cl)cc2)Oc3ccc(Cl)cc3)cc1,"InChI=1/C18H12Cl3O4P/c19-13-1-7-16(8-2-13)23-26(22,24-17-9-3-14(20)4-10-17)25-18-11-5-15(21)6-12-18/h1-12H",C18H12Cl3O4P,,,,,,DFQHFXCKNSCDFW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.272,223-397-4,3875-51-2,Isopropylcyclopentane,isopropylcyclopentane,CC(C)C1CCCC1,CC(C)C1CCCC1,"InChI=1/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3",C8H16,,,,,,TVSBRLGQVHJIKT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.274,223-400-9,3875-72-7,"Disodium 6,6'-dichloro-4,4'-dimethyl[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulphate","disodium 6,6'-dichloro-4,4'-dimethyl-2,2'-bi-1-benzothiene-3,3'-diyl disulfate",[Na+].[Na+].Cc1cc(Cl)cc2sc(c(OS(=O)(=O)[O-])c12)c3sc4cc(Cl)cc(C)c4c3OS(=O)(=O)[O-],[Na+].[Na+].Cc1cc(Cl)cc2sc(c(OS(=O)(=O)[O-])c12)c3sc4cc(Cl)cc(C)c4c3OS(=O)(=O)[O-],"InChI=1/C18H12Cl2O8S4.2Na/c1-7-3-9(19)5-11-13(7)15(27-31(21,22)23)17(29-11)18-16(28-32(24,25)26)14-8(2)4-10(20)6-12(14)30-18;;/h3-6H,1-2H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C18H12Cl2O8S4.2Na,,,,,,QXZGOSYDLJGDML-UHFFFAOYSA-L,,,,,,,,,,,
100.021.276,223-403-5,3877-15-4,Methyl propyl sulphide,1-(methylsulfanyl)propane,CCCSC,CCCSC,"InChI=1/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3",C4H10S,,,,,,ZOASGOXWEHUTKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.289,223-417-1,3883-23-6,"Ethyl N,N-bis(hydroxymethyl)carbamate",ethyl bis(hydroxymethyl)carbamate,CCOC(=O)N(CO)CO,CCOC(=O)N(CO)CO,"InChI=1/C5H11NO4/c1-2-10-5(9)6(3-7)4-8/h7-8H,2-4H2,1H3",C5H11NO4,,,,,,UPOVSWVIQVHMOK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.290,223-418-7,3883-86-1,"2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl","2,2',3,3',5,5',6,6'-octafluorobiphenyl",Fc1cc(F)c(F)c(c1F)c2c(F)c(F)cc(F)c2F,Fc1cc(F)c(F)c(c1F)c2c(F)c(F)cc(F)c2F,InChI=1/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H,C12H2F8,,,,,,QWCHHUZAAGRHDB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.293,223-421-3,6/08/3886,5-tert-butyl N-[(phenylmethoxy)carbonyl]-L-glutamate,2-{[(benzyloxy)carbonyl]amino}-5-tert-butoxy-5-oxopentanoate,CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-],CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-],"InChI=1/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/p-1",C17H23NO6,,,,,,GLMODRZPPBZPPB-ZDUSSCGKSA-M,,,,,,,,,,,
100.021.296,223-425-5,3886-70-2,R-(+)-1-(1-naphthyl)ethylamine,1-(1-naphthyl)ethanamine,C[C@@H](N)c1cccc2ccccc12,C[C@@H](N)c1cccc2ccccc12,"InChI=1/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3",C12H13N,,,,,,RTCUCQWIICFPOD-SECBINFHSA-N,,,,,,,,,,,
100.021.297,223-426-0,3886-90-6,"N,N-dimethylstearamide","N,N-dimethyloctadecanamide",CCCCCCCCCCCCCCCCCC(=O)N(C)C,CCCCCCCCCCCCCCCCCC(=O)N(C)C,"InChI=1/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h4-19H2,1-3H3",C20H41NO,,,,,,BTSRIWFABHLYDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.181,219-998-6,2597-56-0,4-nitro-o-anisic acid,2-methoxy-4-nitrobenzoic acid,COc1cc(ccc1C(=O)O)[N+](=O)[O-],COc1cc(ccc1C(=O)O)[N+](=O)[O-],"InChI=1/C8H7NO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)",C8H7NO5,,,,,,KPJXEWJRJKEOCD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.189,220-006-9,2601-33-4,(carboxylatomethyl)dimethyltetradecylammonium,[dimethyl(tetradecyl)ammonio]acetate,CCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],CCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18(20)21/h4-17H2,1-3H3",C18H37NO2,,,,,,KKMIHKCGXQMFEU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.190,220-007-4,2601-89-0,"2,3-dichloropropiononitrile","2,3-dichloropropanenitrile",ClCC(Cl)C#N,ClCC(Cl)C#N,"InChI=1/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2",C3H3Cl2N,,,,,,RJJDLPQZNANQDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.193,220-011-6,2602-34-8,"[3-(2,3-epoxypropoxy)propyl]triethoxysilane",triethoxy[3-(oxiran-2-ylmethoxy)propyl]silane,CCO[Si](CCCOCC1CO1)(OCC)OCC,CCO[Si](CCCOCC1CO1)(OCC)OCC,"InChI=1/C12H26O5Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12/h12H,4-11H2,1-3H3",C12H26O5Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14188,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.193,JXUKBNICSRJFAP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.039,217-641-9,1919-38-6,"7-(2-chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","7-(2-chloropropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CC(Cl)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,CC(Cl)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,"InChI=1/C10H13ClN4O2/c1-6(11)4-15-5-12-8-7(15)9(16)14(3)10(17)13(8)2/h5-6H,4H2,1-3H3",C10H13ClN4O2,,,,,,YAPLUWBOORSOHV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.041,217-644-5,1919-48-8,"2,4,6-triphenyl-s-triazine","2,4,6-triphenyl-1,3,5-triazine",c1ccc(cc1)c2nc(nc(n2)c3ccccc3)c4ccccc4,c1ccc(cc1)c2nc(nc(n2)c3ccccc3)c4ccccc4,InChI=1/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H,C21H15N3O3,,,,,,HBQUOLGAXBYZGR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.224,223-345-0,3846-50-2,"N-ethyl-2,4-dinitroaniline","N-ethyl-2,4-dinitroaniline",CCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H9N3O4/c1-2-9-7-4-3-6(10(12)13)5-8(7)11(14)15/h3-5,9H,2H2,1H3",C8H9N3O4,,,,,,YYOUTZBUOQBAAE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.226,223-347-1,3847-27-6,Kanamycin A sulphate,"4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside sulfate (salt)",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.OS(=O)(=O)O,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.OS(=O)(=O)O,"InChI=1/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)",C18H36N4O11.xH2O4S,,,,,,OOYGSFOGFJDDHP-KMCOLRRFSA-N,,,,,,,,,,,
100.021.229,223-350-8,3848-24-6,"Hexane-2,3-dione","hexane-2,3-dione",CCCC(=O)C(=O)C,CCCC(=O)C(=O)C,"InChI=1/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3",C6H10O2,,,,,,MWVFCEVNXHTDNF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.231,223-352-9,3849-34-1,Dibutyl peroxide,"1,1'-dioxydibutane",CCCCOOCCCC,CCCCOOCCCC,"InChI=1/C8H18O2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3",C8H18O2,,,,,,PAOHAQSLJSMLAT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.234,223-356-0,3851-87-4,"Bis(3,5,5-trimethylhexanoyl) peroxide","bis(2,4,4-trimethylpentyl)peroxyanhydride",CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C18H34O4/c1-13(11-17(3,4)5)9-15(19)21-22-16(20)10-14(2)12-18(6,7)8/h13-14H,9-12H2,1-8H3",C18H34O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13578,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.234,KFGFVPMRLOQXNB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.236,223-358-1,3/09/3852,Methyl 3-methoxypropionate,methyl 3-methoxypropanoate,COCCC(=O)OC,COCCC(=O)OC,"InChI=1/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3",C5H10O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17972,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.236,BDJSOPWXYLFTNW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.239,223-361-8,3855-26-3,2-ethyl-p-cresol,2-ethyl-4-methylphenol,CCc1cc(C)ccc1O,CCc1cc(C)ccc1O,"InChI=1/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,AVVVXUXMKWPKAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.243,223-366-5,3856-37-9,"(R*,S*)-2,3-dichlorosuccinic acid","2,3-dichlorosuccinic acid",OC(=O)C(Cl)C(Cl)C(=O)O,OC(=O)C(Cl)C(Cl)C(=O)O,"InChI=1/C4H4Cl2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)",C4H4Cl2O4,,,,,,XSCRWBSKSVOZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.245,223-368-6,3858-45-5,"[1R-(1a,2a,5a)]-5-(isopropyl)-2-methylcyclohexan-1-ol",5-isopropyl-2-methylcyclohexanol,CC(C)C1CCC(C)C(O)C1,CC(C)C1CCC(C)C(O)C1,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,ULJXKUJMXIVDOY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.248,223-371-2,3858-89-7,2-diethylaminoethyl 4-amino-2-chlorobenzoate hydrochloride,2-(diethylamino)ethyl 4-amino-2-chlorobenzoate hydrochloride,Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,"InChI=1/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H",C13H19ClN2O2.ClH,,,,,,SZKQYDBPUCZLRX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.253,217-877-2,1996-88-9,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H9F17O2/c1-5(2)6(32)33-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3",C14H9F17O2,,,,,,HBZFBSFGXQBQTB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.259,217-884-0,1999-43-5,N-DL-alanyl-DL-methionine,L-alanyl-L-methionine,O=C(N[C@@H](CCSC)C(O)=O)[C@H](C)N,O=C(N[C@@H](CCSC)C(O)=O)[C@H](C)N,"InChI=1/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",C8H16N2O3S,,,,,,FSHURBQASBLAPO-WDSKDSINSA-N,,,,,,,,,,,
100.016.264,217-889-8,2001-32-3,3-(2-nitrophenyl)propionic acid,3-(2-nitrophenyl)propanoic acid,OC(=O)CCc1ccccc1[N+](=O)[O-],OC(=O)CCc1ccccc1[N+](=O)[O-],"InChI=1/C9H9NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)",C9H9NO4,,,,,,OARKUZWAGHQLSL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.547,217-101-2,1739-84-0,"1,2-dimethylimidazole","1,2-dimethyl-1H-imidazole",Cc1nccn1C,Cc1nccn1C,"InChI=1/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3",C5H8N2,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11565,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.547,GIWQSPITLQVMSG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.552,217-107-5,1741-41-9,"1,1-diethoxy-2-methylpropane","1,1-diethoxy-2-methylpropane",CCOC(OCC)C(C)C,CCOC(OCC)C(C)C,"InChI=1/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3",C8H18O2,,,,,,KZDFOVZPOBSHDH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.812,219-592-9,2472-22-2,"6-methoxy-1,2,3,4-tetrahydronaphthalen-2-one","6-methoxy-3,4-dihydronaphthalen-2(1H)-one",COc1ccc2CC(=O)CCc2c1,COc1ccc2CC(=O)CCc2c1,"InChI=1/C11H12O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7H,2,4,6H2,1H3",C11H12O2,,,,,,RMRKDYNVZWKAFP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.813,219-593-4,2472-88-0,Bis(tetrabutylammonium) sulphate,"bis(N,N,N-tributylbutan-1-aminium) sulfate",CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-],CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-],"InChI=1/2C16H36N.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C16H36N.1/2O4S,,,,,,ZXUCBXRTRRIBSO-UHFFFAOYSA-L,,,,,,,,,,,
100.017.816,219-597-6,4/02/2474,"1,7-dichloro-1,1,3,3,5,5,7,7-octamethyltetrasiloxane","1,7-dichloro-1,1,3,3,5,5,7,7-octamethyltetrasiloxane",C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Cl,C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Cl,"InChI=1/C8H24Cl2O3Si4/c1-14(2,9)11-16(5,6)13-17(7,8)12-15(3,4)10/h1-8H3",C8H24Cl2O3Si4,,,,,,UHRAUGIQJXURFE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.817,219-598-1,2475-31-2,"5,7-dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one","5,5',7,7'-tetrabromo-2,2'-biindole-3,3'(1H,1'H)-dione",O=C3c4cc(Br)cc(Br)c4NC3=C2Nc1c(Br)cc(Br)cc1C2=O,O=C3c4cc(Br)cc(Br)c4NC3=C2Nc1c(Br)cc(Br)cc1C2=O,"InChI=1/C16H6Br4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H",C16H6Br4N2O2,,,,,,PTWYQANXSNMUTI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.826,219-607-9,2478-20-8,"6-amino-2-(2,4-dimethylphenyl)-1H-benz[de]isoquinoline-1,3(2H)-dione","6-amino-2-(2,4-dimethylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione",Cc1ccc(N2C(=O)c3cccc4c(N)ccc(C2=O)c34)c(C)c1,Cc1ccc(N2C(=O)c3cccc4c(N)ccc(C2=O)c34)c(C)c1,"InChI=1/C20H16N2O2/c1-11-6-9-17(12(2)10-11)22-19(23)14-5-3-4-13-16(21)8-7-15(18(13)14)20(22)24/h3-10H,21H2,1-2H3",C20H16N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16927,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.826,FQLZTPSAVDHUKS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.830,219-612-6,2479-47-2,"4,4'-isopropylidenedianiline","4,4'-propane-2,2-diyldianiline",CC(C)(c1ccc(N)cc1)c2ccc(N)cc2,CC(C)(c1ccc(N)cc1)c2ccc(N)cc2,"InChI=1/C15H18N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10H,16-17H2,1-2H3",C15H18N2,,,,,,ZYEDGEXYGKWJPB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.831,219-613-1,2479-49-4,"4,4'-carbonyldiphthalic acid","4,4'-carbonyldiphthalic acid",OC(=O)c1ccc(cc1C(=O)O)C(=O)c2ccc(C(=O)O)c(c2)C(=O)O,OC(=O)c1ccc(cc1C(=O)O)C(=O)c2ccc(C(=O)O)c(c2)C(=O)O,"InChI=1/C17H10O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)",C17H10O9,,,,,,UITKHKNFVCYWNG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.832,219-614-7,2481-86-9,"4-benzoyl-2,3-dihydroxyphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","4-benzoyl-2,3-dihydroxyphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Oc1c(O)c(ccc1OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)C(=O)c4ccccc4,Oc1c(O)c(ccc1OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)C(=O)c4ccccc4,"InChI=1/C23H14N2O7S/c24-25-17-11-9-14-15(21(17)27)7-4-8-19(14)33(30,31)32-18-12-10-16(22(28)23(18)29)20(26)13-5-2-1-3-6-13/h1-12,28-29H",C23H14N2O7S,,,,,,IHIUTOYYKWPVFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.835,219-617-3,2482-00-0,(4-aminobutyl)guanidinium sulphate,bis(4-amino-N-carbamimidoylbutan-1-aminium) sulfate,NCCCC[NH2+]C(=N)N.NCCCC[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],NCCCC[NH2+]C(=N)N.NCCCC[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2C5H14N4.H2O4S/c2*6-3-1-2-4-9-5(7)8;1-5(2,3)4/h2*1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)",C5H14N4.H2O4S,,,,,,CWWNQZPVYSXQHV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.836,219-618-9,2482-39-5,Methyl 2-decenoate,methyl dec-2-enoate,COC(=O)C=CCCCCCCC,COC(=O)C=CCCCCCCC,"InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,VVBWOSGRZNCEBX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.839,219-622-0,2483-57-0,Methyl nitroacetate,methyl nitroacetate,COC(=O)C[N+](=O)[O-],COC(=O)C[N+](=O)[O-],"InChI=1/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3",C3H5NO4,,,,,,ALBSWLMUHHZLLR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.841,219-624-1,2484-88-0,Azobenzene-4-sulphonic acid,4-(phenyldiazenyl)benzenesulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2ccccc2,OS(=O)(=O)c1ccc(cc1)N=Nc2ccccc2,"InChI=1/C12H10N2O3S/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)",C12H10N2O3S,,,,,,AJMNDPOSKIBVGX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.842,219-625-7,2485-62-3,Mecysteine,methyl L-cysteinate,COC(=O)[C@@H](N)CS,COC(=O)[C@@H](N)CS,"InChI=1/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3",C4H9NO2S,,,,,,MCYHPZGUONZRGO-VKHMYHEASA-N,,,,,,,,,,,
100.017.843,219-626-2,4/02/2486,Isopentyl gallate,"3-methylbutyl 3,4,5-trihydroxybenzoate",CC(C)CCOC(=O)c1cc(O)c(O)c(O)c1,CC(C)CCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C12H16O5/c1-7(2)3-4-17-12(16)8-5-9(13)11(15)10(14)6-8/h5-7,13-15H,3-4H2,1-2H3",C12H16O5,,,,,,YBMTWYWCLVMFFD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.839,229-522-9,6589-37-3,3-tert-butyl-6-methyluracil,"3-tert-butyl-6-methylpyrimidine-2,4(1H,3H)-dione",CC1=CC(=O)N(C(=O)N1)C(C)(C)C,CC1=CC(=O)N(C(=O)N1)C(C)(C)C,"InChI=1/C9H14N2O2/c1-6-5-7(12)11(8(13)10-6)9(2,3)4/h5H,1-4H3,(H,10,13)",C9H14N2O2,,,,,,ZXURPSNWUDKNAH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.842,229-526-0,6590-94-9,"1,2-dichloro-4-isothiocyanatobenzene","1,2-dichloro-4-isothiocyanatobenzene",Clc1ccc(cc1Cl)N=C=S,Clc1ccc(cc1Cl)N=C=S,InChI=1/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H,C7H3Cl2NS,,,,,,OSBIEFWIIINTNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.843,229-527-6,6590-96-1,"2,4-dichloro-1-isothiocyanatobenzene","2,4-dichloro-1-isothiocyanatobenzene",Clc1ccc(N=C=S)c(Cl)c1,Clc1ccc(N=C=S)c(Cl)c1,InChI=1/C7H3Cl2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H,C7H3Cl2NS,,,,,,WVBNZZHGECFCSH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.430,229-072-3,6408-91-9,Disodium 3-methyl-5-[(4-sulphonatophenyl)azo]salicylate,disodium 2-hydroxy-3-methyl-5-[(4-sulfonatophenyl)diazenyl]benzoate,[Na+].[Na+].Cc2cc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc(C([O-])=O)c2O,[Na+].[Na+].Cc2cc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc(C([O-])=O)c2O,"InChI=1/C14H12N2O6S.2Na/c1-8-6-10(7-12(13(8)17)14(18)19)16-15-9-2-4-11(5-3-9)23(20,21)22;;/h2-7,17H,1H3,(H,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H12N2O6S.2Na,,,,,,HSMKYUPVPFDCDV-UHFFFAOYSA-L,,,,,,,,,,,
100.026.434,229-077-0,2/09/6409,Sodium 2-chloro-6-[(4-hydroxy-1-naphthyl)azo]toluene-4-sulphonate,sodium 3-chloro-5-[(4-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate,[Na+].Cc3c(N=Nc2ccc(O)c1ccccc12)cc(cc3Cl)S([O-])(=O)=O,[Na+].Cc3c(N=Nc2ccc(O)c1ccccc12)cc(cc3Cl)S([O-])(=O)=O,"InChI=1/C17H13ClN2O4S.Na/c1-10-14(18)8-11(25(22,23)24)9-16(10)20-19-15-6-7-17(21)13-5-3-2-4-12(13)15;/h2-9,21H,1H3,(H,22,23,24);/q;+1/p-1",C17H13ClN2O4S.Na,,,,,,WEQUWGNSDIJACH-UHFFFAOYSA-M,,,,,,,,,,,
100.026.437,229-080-7,6409-21-8,"4-(acetylamino)-5-hydroxynaphthalene-1,7-disulphonic acid","4-acetamido-5-hydroxynaphthalene-1,7-disulfonic acid",CC(=O)Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,CC(=O)Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C12H11NO8S2/c1-6(14)13-9-2-3-11(23(19,20)21)8-4-7(22(16,17)18)5-10(15)12(8)9/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)",C12H11NO8S2,,,,,,JLDYJXZCXHXBTL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.438,229-081-2,6409-25-2,"Disodium 3-[[4-[(4-amino-7-sulphonatonaphthyl)azo]phenyl]azo]-6-[(2,4-diaminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate","disodium 3-({4-[(4-amino-7-sulfonato-1-naphthyl)diazenyl]phenyl}diazenyl)-6-[(2,4-diaminophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc6c(cc1)c(N)ccc6N=Nc2ccc(cc2)N=Nc4c(cc3ccc(cc3c4O)N=Nc5ccc(N)cc5N)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc6c(cc1)c(N)ccc6N=Nc2ccc(cc2)N=Nc4c(cc3ccc(cc3c4O)N=Nc5ccc(N)cc5N)S([O-])(=O)=O,"InChI=1/C32H25N9O7S2.2Na/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)23-9-8-22(16-25(23)28)49(43,44)45;;/h1-16,42H,33-35H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C32H25N9O7S2.2Na,,,,,,SKCORUWBHQSGDM-UHFFFAOYSA-L,,,,,,,,,,,
100.026.444,229-088-0,6409-77-4,"Disodium 1-amino-2,4-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-3-sulphonate","disodium 1-amino-2,4-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-3-sulphonate",[Na+].[Na+].Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-].Nc4c(O)c(c(O)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)[O-],[Na+].[Na+].Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-].Nc4c(O)c(c(O)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)[O-],"InChI=1/2C14H9NO7S.2Na/c2*15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;;/h2*1-4,18-19H,15H2,(H,20,21,22);;/q;;2*+1/p-2",C14H9NO7S.Na,,,,,,ODKLFPWMVIDUEI-UHFFFAOYSA-L,,,,,,,,,,,
100.026.446,229-090-1,6409-86-5,"Tetrasodium 2-[[2-amino-6-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]-7-sulphonato-1-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulphonato-1-naphthyl]azo]-5-nitrobenzoate","tetrasodium 2-[(2-amino-6-{[4-({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)-2,5-dimethoxyphenyl]diazenyl}-5-hydroxy-7-sulfonato-1-naphthyl)diazenyl]-5-nitrobenzoate",[Na+].[Na+].[Na+].[Na+].COc7cc(N=Nc3ccc(N=Nc1cc(C([O-])=O)c(O)cc1)c2ccc(cc23)S([O-])(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4ccc(cc4C([O-])=O)[N+]([O-])=O)c(N)ccc5c6O)S([O-])(=O)=O)OC,[Na+].[Na+].[Na+].[Na+].COc7cc(N=Nc3ccc(N=Nc1cc(C([O-])=O)c(O)cc1)c2ccc(cc23)S([O-])(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4ccc(cc4C([O-])=O)[N+]([O-])=O)c(N)ccc5c6O)S([O-])(=O)=O)OC,"InChI=1/C42H30N10O16S2.4Na/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58;;;;/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4",C42H30N10O16S2.4Na,,,,,,IZOQBFQNGWEGKO-UHFFFAOYSA-J,,,,,,,,,,,
100.026.459,229-105-1,6410-39-5,4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide,4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,Clc4cc(c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)cc4)[N+]([O-])=O,Clc4cc(c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)cc4)[N+]([O-])=O,"InChI=1/C24H17ClN4O5/c1-34-21-9-5-4-8-19(21)26-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)28-27-18-11-10-15(25)13-20(18)29(32)33/h2-13,30H,1H3,(H,26,31)",C24H17ClN4O5,,,,,,UEOKHCPTIWVVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.198,220-016-3,2604-85-5,Tetraethylammonium sulphate,"bis(N,N,N-triethylethanaminium) sulfate",CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[O-]S(=O)(=O)[O-],CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[O-]S(=O)(=O)[O-],"InChI=1/2C8H20N.H2O4S/c2*1-5-9(6-2,7-3)8-4;1-5(2,3)4/h2*5-8H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C8H20N.1/2O4S,,,,,,TXBULBYASDPNNC-UHFFFAOYSA-L,,,,,,,,,,,
100.018.201,220-020-5,2605-79-0,"N,N-dimethyldecylamine N-oxide",decyl(dimethyl)amine oxide,CCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCC[N+](C)(C)[O-],"InChI=1/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3",C12H27NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5684,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.201,ZRKZFNZPJKEWPC-UHFFFAOYSA-N,Positive,EA278401|EA278402|EA278403|EA278404|EA278405|EA278406|EA278407|EA278408|EA278409|EA278410|EA278411|EA278412|EA278413|EA278414,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,184.2058:202.2163:185.2137|202.2163|202.2165:58.0651:184.2062|202.2164:58.0651:184.206|58.0651:202.2164:184.2059|58.0651:62.06:57.0698|58.0651:62.06:57.0698|202.2163|202.2164:58.0651:184.2059|202.2163:58.0651:184.2058|58.0651:202.2164:184.2057|58.0651:62.06:57.0698|58.0651:62.06:57.0698|184.2058:185.2136:62.06,Eawag,,,,,
100.018.203,220-022-6,9/06/2607,Diflucortolone,"6,9-difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,"InChI=1/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3",C22H28F2O4,,,,,,OGPWIDANBSLJPC-RFPWEZLHSA-N,,,,,,,,,,,
100.018.207,220-026-8,1/05/2610,"Tetrasodium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxynaphthalene-1,3-disulphonate]","tetrasodium 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)",[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H28N6O16S4.4Na,,,,,,BPHHNXJPFPEJOF-UHFFFAOYSA-J,,,,,,,,,,,
100.018.208,220-027-3,8/10/2610,"Hexasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate]",hexasodium 4-hydroxy-7-({[5-hydroxy-7-sulfonato-6-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-2-naphthyl]carbamoyl}amino)-3-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc7c(c4)cc(c(N=Nc6ccc(N=Nc5ccc(cc5)S([O-])(=O)=O)cc6S([O-])(=O)=O)c7O)S([O-])(=O)=O)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc7c(c4)cc(c(N=Nc6ccc(N=Nc5ccc(cc5)S([O-])(=O)=O)cc6S([O-])(=O)=O)c7O)S([O-])(=O)=O)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,"InChI=1/C45H32N10O21S6.6Na/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64;;;;;;/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;/q;6*+1/p-6",C45H32N10O21S6.6Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17577,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.208,YIQKLZYTHXTDDT-UHFFFAOYSA-H,,,,,,,,,,,
100.018.214,220-034-1,2611-67-8,"2-(3,4-dihydroxyphenyl)-3,5-bis(ß-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium chloride","2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenium-5-yl beta-D-glucopyranoside chloride",[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]1O,[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H",C27H31O16.Cl,,,,,,OTLDHWQVPHWNOT-DHJOXOLYSA-M,,,,,,,,,,,
100.018.215,220-035-7,2611-80-5,"Disodium 4-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinolin-6-yl)amino]-benzene-1,3-disulphonate","disodium 4-[(3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]benzene-1,3-disulfonate",[Na+].[Na+].CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5ccc(cc5S(=O)(=O)[O-])S(=O)(=O)[O-])ccc1c24,[Na+].[Na+].CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5ccc(cc5S(=O)(=O)[O-])S(=O)(=O)[O-])ccc1c24,"InChI=1/C23H16N2O8S2.2Na/c1-25-18-9-8-17(24-16-7-6-12(34(28,29)30)10-19(16)35(31,32)33)22-21(18)15(11-20(25)26)13-4-2-3-5-14(13)23(22)27;;/h2-11,24H,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C23H16N2O8S2.2Na,,,,,,NTWZVSRLUAOEKA-UHFFFAOYSA-L,,,,,,,,,,,
100.018.218,220-038-3,2612-29-5,"2-ethylpropane-1,3-diol","2-ethylpropane-1,3-diol",CCC(CO)CO,CCC(CO)CO,"InChI=1/C5H12O2/c1-2-5(3-6)4-7/h5-7H,2-4H2,1H3",C5H12O2,,,,,,HYFFNAVAMIJUIP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.219,220-039-9,2612-56-8,"3,4-diethoxytoluene","1,2-diethoxy-4-methylbenzene",CCOc1ccc(C)cc1OCC,CCOc1ccc(C)cc1OCC,"InChI=1/C11H16O2/c1-4-12-10-7-6-9(3)8-11(10)13-5-2/h6-8H,4-5H2,1-3H3",C11H16O2,,,,,,ABJOFFUIJZDZBE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.514,217-065-8,1733-15-9,Tetramethyl ethylenetetracarboxylate,"tetramethyl ethene-1,1,2,2-tetracarboxylate",COC(=O)C(=C(C(=O)OC)C(=O)OC)C(=O)OC,COC(=O)C(=C(C(=O)OC)C(=O)OC)C(=O)OC,InChI=1/C10H12O8/c1-15-7(11)5(8(12)16-2)6(9(13)17-3)10(14)18-4/h1-4H3,C10H12O8,,,,,,NPBUMSUYCUWTSF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.517,217-068-4,1733-57-9,Ethyldiphenylphosphine oxide,ethyl(diphenyl)phosphine oxide,CCP(=O)(c1ccccc1)c2ccccc2,CCP(=O)(c1ccccc1)c2ccccc2,"InChI=1/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3",C14H15OP,,,,,,AKTGKEBIBGSCLD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.266,217-891-9,2001-81-2,Diponium bromide,"2-(2,2-dicyclopentylacetoxy)-N,N,N-triethylethanaminium bromide",[Br-].CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2,[Br-].CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2,"InChI=1/C20H38NO2.BrH/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;/h17-19H,4-16H2,1-3H3;1H/q+1;/p-1",C20H38NO2.Br,,,,,,ADZXDFALMZGPTN-UHFFFAOYSA-M,,,,,,,,,,,
100.016.270,217-896-6,2001-95-8,Valinomycin,"6,9,12,18,21,24,30,33,36-nonaisopropyl-3,15,27-trimethyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone",CC(C)C1NC(=O)C(OC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C,CC(C)C1NC(=O)C(OC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C,"InChI=1/C54H90N6O18/c1-22(2)34-45(63)58-35(23(3)4)50(68)73-31(19)43(61)56-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)74-32(20)44(62)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-37(25(7)8)52(70)75-33(21)49(67)76-40(28(13)14)46(64)55-34/h22-42H,1-21H3,(H,55,64)(H,56,61)(H,57,62)(H,58,63)(H,59,65)(H,60,66)",C54H90N6O18,,,,,,MBXQOFMOLUBOIN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.271,217-897-1,2001-96-9,p-nitrophenyl ß-D-xylopyranoside,4-nitrophenyl beta-D-xylopyranoside,O[C@@H]1CO[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@H]1O,O[C@@H]1CO[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@H]1O,"InChI=1/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2",C11H13NO7,,,,,,MLJYKRYCCUGBBV-YTWAJWBKSA-N,,,,,,,,,,,
100.019.660,221-625-7,3164-85-0,Potassium 2-ethylhexanoate,potassium 2-ethylhexanoate,[K+].CCCCC(CC)C(=O)[O-],[K+].CCCCC(CC)C(=O)[O-],"InChI=1/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",C8H16O2.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14989,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.660,ZUFQCVZBBNZMKD-UHFFFAOYSA-M,,,,,,,,,,,
100.019.661,221-626-2,3165-81-9,1-octadecylpyridinium chloride,1-octadecylpyridinium chloride,[Cl-].CCCCCCCCCCCCCCCCCC[n+]1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC[n+]1ccccc1,"InChI=1/C23H42N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;/h17,19-20,22-23H,2-16,18,21H2,1H3;1H/q+1;/p-1",C23H42N.Cl,,,,,,WJDJWDHXZBNQNE-UHFFFAOYSA-M,,,,,,,,,,,
100.019.668,221-634-6,3169-26-4,"2,3-dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine","5-imino-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrol-7-amine",NC1=NC(=N)C2=C1SCCS2,NC1=NC(=N)C2=C1SCCS2,"InChI=1/C6H7N3S2/c7-5-3-4(6(8)9-5)11-2-1-10-3/h1-2H2,(H3,7,8,9)",C6H7N3S2,,,,,,XTFKKPTYHWLGMD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.669,221-635-1,3171-45-7,"4,5-dimethyl-o-phenylenediamine","4,5-dimethylbenzene-1,2-diamine",Cc1cc(N)c(N)cc1C,Cc1cc(N)c(N)cc1C,"InChI=1/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3",C8H12N2,,,,,,XSZYBMMYQCYIPC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.671,221-637-2,3172-34-7,Biphenyl-4-yltriphenylsilane,biphenyl-4-yl(triphenyl)silane,c1ccc(cc1)c2ccc(cc2)[Si](c3ccccc3)(c4ccccc4)c5ccccc5,c1ccc(cc1)c2ccc(cc2)[Si](c3ccccc3)(c4ccccc4)c5ccccc5,"InChI=1/C30H24Si/c1-5-13-25(14-6-1)26-21-23-30(24-22-26)31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H",C30H24Si,,,,,,KIKBAQXCRQQWGH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.674,221-640-9,3173-56-6,Benzyl isocyanate,(isocyanatomethyl)benzene,O=C=NCc1ccccc1,O=C=NCc1ccccc1,"InChI=1/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2",C8H7NO,,,,,,YDNLNVZZTACNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.676,221-643-5,3173-79-3,"2,2-dimethyl-3-isopropyliden-ß-propiolactone","4-isopropylidene-3,3-dimethyloxetan-2-one",CC(=C1OC(=O)C1(C)C)C,CC(=C1OC(=O)C1(C)C)C,"InChI=1/C8H12O2/c1-5(2)6-8(3,4)7(9)10-6/h1-4H3",C8H12O2,,,,,,OKAAPXFKYOTAEN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.681,221-648-2,3176-88-3,"4,11-diamino-2-butyl-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone","4,11-diamino-2-butyl-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",CCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,CCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C20H17N3O4/c1-2-3-8-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-6-4-5-7-10(9)18(12)25/h4-7H,2-3,8,21-22H2,1H3",C20H17N3O4,,,,,,UGXWOQHRUHXYIK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.683,221-650-3,3177-22-8,Sodium 2-aminosulphanilate,"sodium 2,4-diaminobenzenesulfonate",[Na+].Nc1ccc(c(N)c1)S(=O)(=O)[O-],[Na+].Nc1ccc(c(N)c1)S(=O)(=O)[O-],"InChI=1/C6H8N2O3S.Na/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,7-8H2,(H,9,10,11);/q;+1/p-1",C6H8N2O3S.Na,,,,,,WYSWTEPAYPNWDV-UHFFFAOYSA-M,,,,,,,,,,,
100.019.684,221-651-9,3178-20-9,"Carbonic acid, compound with 2-aminoethanol (1:1)",carbonic acid - 2-aminoethanol (1:1),NCCO.OC(=O)O,NCCO.OC(=O)O,"InChI=1/C2H7NO.CH2O3/c3-1-2-4;2-1(3)4/h4H,1-3H2;(H2,2,3,4)",C2H7NO.CH2O3,,,,,,XTHLNJJMYLLKPD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.685,221-652-4,3178-22-1,tert-butylcyclohexane,tert-butylcyclohexane,CC(C)(C)C1CCCCC1,CC(C)(C)C1CCCCC1,"InChI=1/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",C10H20,,,,,,XTVMZZBLCLWBPM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.687,221-655-0,3179-29-1,"Dimethyl 2,2'-[sulphonylbis(methylene)]bis[3-oxoacetoacetate]","dimethyl 2,2'-[sulfonylbis(methylene)]bis(3-oxobutanoate)",COC(=O)C(CS(=O)(=O)CC(C(=O)C)C(=O)OC)C(=O)C,COC(=O)C(CS(=O)(=O)CC(C(=O)C)C(=O)OC)C(=O)C,"InChI=1/C12H18O8S/c1-7(13)9(11(15)19-3)5-21(17,18)6-10(8(2)14)12(16)20-4/h9-10H,5-6H2,1-4H3",C12H18O8S,,,,,,MDQHSYAMTJHGHE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.688,221-656-6,3179-31-5,"1,2,4-triazole-3-thiol","4H-1,2,4-triazole-3-thiol",Sc1nnc[nH]1,Sc1nnc[nH]1,"InChI=1/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",C2H3N3S,,,,,,AFBBKYQYNPNMAT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.849,219-633-0,2486-85-3,Didodecylammonium chloride,N-dodecyldodecan-1-aminium chloride,[Cl-].CCCCCCCCCCCC[NH2+]CCCCCCCCCCCC,[Cl-].CCCCCCCCCCCC[NH2+]CCCCCCCCCCCC,"InChI=1/C24H51N.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3;1H",C24H51N.ClH,,,,,,SWWQNNDPJXYCNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.857,219-641-4,6/05/2489,Silver docosanoate,silver(1+) docosanoate,[Ag+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ag+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C22H44O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1",C22H44O2.Ag,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6638,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.857,AQRYNYUOKMNDDV-UHFFFAOYSA-M,,,,,,,,,,,
100.021.300,223-429-7,3887-48-7,m-aminobenzenesulphonyl fluoride hydrochloride,3-aminobenzenesulfonyl fluoride hydrochloride,Cl.Nc1cccc(c1)S(=O)(=O)F,Cl.Nc1cccc(c1)S(=O)(=O)F,"InChI=1/C6H6FNO2S.ClH/c7-11(9,10)6-3-1-2-5(8)4-6;/h1-4H,8H2;1H",C6H6FNO2S.ClH,,,,,,KTADZFWRDLKHKW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.302,223-431-8,3888-65-1,4-(4-fluorophenyl)piperidin-4-ol,4-(4-fluorophenyl)piperidin-4-ol,OC1(CCNCC1)c2ccc(F)cc2,OC1(CCNCC1)c2ccc(F)cc2,"InChI=1/C11H14FNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2",C11H14FNO,,,,,,QXWRXWPNHLIZBV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.312,223-442-8,3893-23-0,Cyclohexylphenylacetonitrile,cyclohexyl(phenyl)acetonitrile,N#CC(C1CCCCC1)c2ccccc2,N#CC(C1CCCCC1)c2ccccc2,"InChI=1/C14H17N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2",C14H17N,,,,,,IZSWBXTYTALSOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.314,223-444-9,3895-92-9,"1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium chloride","1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride",[Cl-].COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC,[Cl-].COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC,"InChI=1/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1",C21H18NO4.Cl,,,,,,WEEFNMFMNMASJY-UHFFFAOYSA-M,,,,,,,,,,,
100.021.315,223-445-4,5/11/3896,Bumetrizole,2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol,Cc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,Cc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,"InChI=1/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3",C17H18ClN3O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5785,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.315,OCWYEMOEOGEQAN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.316,223-447-5,9/04/3897,Methyl 2-acetylpent-4-en-1-oate,methyl 2-acetylpent-4-enoate,COC(=O)C(CC=C)C(=O)C,COC(=O)C(CC=C)C(=O)C,"InChI=1/C8H12O3/c1-4-5-7(6(2)9)8(10)11-3/h4,7H,1,5H2,2-3H3",C8H12O3,,,,,,ZPODYHCGBAQQKD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.318,223-449-6,3898-26-8,(2-chloro-1-methoxyethyl)benzene,(2-chloro-1-methoxyethyl)benzene,COC(CCl)c1ccccc1,COC(CCl)c1ccccc1,"InChI=1/C9H11ClO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",C9H11ClO,,,,,,CMBMUYICTPOEOA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.322,223-453-8,3900-45-6,1-(6-methoxy-2-naphthyl)ethan-1-one,1-(6-methoxy-2-naphthyl)ethanone,COc1ccc2cc(ccc2c1)C(=O)C,COc1ccc2cc(ccc2c1)C(=O)C,"InChI=1/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3",C13H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10027,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.322,GGWCZBGAIGGTDA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.332,223-464-8,3906-87-4,2-fluoroterephthalic acid,2-fluoroterephthalic acid,OC(=O)c1ccc(C(=O)O)c(F)c1,OC(=O)c1ccc(C(=O)O)c(F)c1,"InChI=1/C8H5FO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5FO4,,,,,,YUWKPDBHJFNMAD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.336,223-469-5,3912-86-5,"Tributylcyclopenta-2,4-dienylstannane","tributyl(cyclopenta-2,4-dien-1-yl)stannane",CCCC[Sn](CCCC)(CCCC)C1C=CC=C1,CCCC[Sn](CCCC)(CCCC)C1C=CC=C1,"InChI=1/C5H5.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;/rC17H32Sn/c1-4-7-14-18(15-8-5-2,16-9-6-3)17-12-10-11-13-17/h10-13,17H,4-9,14-16H2,1-3H3",C17H32Sn,,,,,,BMSPZMQMUAKWEP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.339,223-472-1,3913-71-1,2-decenal,dec-2-enal,CCCCCCCC=CC=O,CCCCCCCC=CC=O,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3",C10H18O,,,,,,MMFCJPPRCYDLLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.340,223-473-7,3913-80-2,(E)-oct-2-enyl acetate,oct-2-en-1-yl acetate,CCCCC\\C=C\\COC(=O)C,CCCCC\C=C\COC(=O)C,"InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3",C10H18O2,,,,,,MBRLTLPMVMFRTJ-BQYQJAHWSA-N,,,,,,,,,,,
100.021.342,223-475-8,3913-85-7,Dec-2-enoic acid,dec-2-enoic acid,OC(=O)C=CCCCCCCC,OC(=O)C=CCCCCCCC,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)",C10H18O2,,,,,,WXBXVVIUZANZAU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.345,223-478-4,3915-83-1,Neryl isovalerate,"3,7-dimethylocta-2,6-dien-1-yl 3-methylbutanoate",CC(C)CC(=O)OC\\C=C(/C)\\CCC=C(C)C,CC(C)CC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3",C15H26O2,,,,,,SOUKTGNMIRUIQN-NTEUORMPSA-N,,,,,,,,,,,
100.026.462,229-108-8,6410-42-0,"Tetrasodium 5,5'-[carbonylbis[imino(1-hydroxy-3-sulphonatonaphthalene-2,6-diyl)azo]]bisnaphthalene-1-sulphonate",tetrasodium 5-({5-hydroxy-6-[({1-hydroxy-3-sulfonato-6-[(5-sulfonato-1-naphthyl)diazenyl]-2-naphthyl}carbamoyl)amino]-7-sulfonato-2-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc7c8cccc7N=Nc5cc6cc(c(NC(=O)Nc2c(cc1cc(ccc1c2O)N=Nc4cccc3c4cccc3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c6cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc7c8cccc7N=Nc5cc6cc(c(NC(=O)Nc2c(cc1cc(ccc1c2O)N=Nc4cccc3c4cccc3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c6cc5)S([O-])(=O)=O,"InChI=1/C41H28N6O15S4.4Na/c48-39-25-15-13-23(44-46-31-9-1-7-29-27(31)5-3-11-33(29)63(51,52)53)17-21(25)19-35(65(57,58)59)37(39)42-41(50)43-38-36(66(60,61)62)20-22-18-24(14-16-26(22)40(38)49)45-47-32-10-2-8-30-28(32)6-4-12-34(30)64(54,55)56;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C41H28N6O15S4.4Na,,,,,,JGSBHDFOWGNTRS-UHFFFAOYSA-J,,,,,,,,,,,
100.026.464,229-110-9,6411-24-1,Tridodecylphosphine,tridodecylphosphine,CCCCCCCCCCCCP(CCCCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCCP(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/C36H75P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",C36H75P,,,,,,GRAKJTASWCEOQI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.257,227-782-8,5979-27-1,"Sodium 3-[(1,5-dihydroxy-2-naphthyl)azo]-4-hydroxy-5-nitrobenzenesulphonate","sodium 3-[(1,5-dihydroxy-2-naphthyl)diazenyl]-4-hydroxy-5-nitrobenzenesulfonate",[Na+].Oc3c(cc(cc3N=Nc2ccc1c(O)cccc1c2O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc3c(cc(cc3N=Nc2ccc1c(O)cccc1c2O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C16H11N3O8S.Na/c20-14-3-1-2-10-9(14)4-5-11(15(10)21)17-18-12-6-8(28(25,26)27)7-13(16(12)22)19(23)24;/h1-7,20-22H,(H,25,26,27);/q;+1/p-1",C16H11N3O8S.Na,,,,,,MLJAXWJCHOAYFH-UHFFFAOYSA-M,,,,,,,,,,,
100.025.262,227-788-0,5979-98-6,Octyl docosanoate,octyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC,"InChI=1/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29-27-25-10-8-6-4-2/h3-29H2,1-2H3",C30H60O2,,,,,,MWSXIWIELAIOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.263,227-789-6,5980-15-4,Didodecyl succinate,didodecyl succinate,CCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCC,"InChI=1/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C28H54O4,,,,,,JBJMZCVEBLDYCA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.266,227-792-2,5982-52-5,[2-(diphenylmethoxy)ethyl]diethylmethylammonium iodide,"2-(diphenylmethoxy)-N,N-diethyl-N-methylethanaminium iodide",[I-].CC[N+](C)(CC)CCOC(c1ccccc1)c2ccccc2,[I-].CC[N+](C)(CC)CCOC(c1ccccc1)c2ccccc2,"InChI=1/C20H28NO.HI/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1",C20H28NO.I,,,,,,HKOZYKMXXBHEHT-UHFFFAOYSA-M,,,,,,,,,,,
100.025.273,227-800-4,5984-94-1,ß-pilocarpine nitrate,3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one nitrate,CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O.O[N+](=O)[O-],CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O.O[N+](=O)[O-],"InChI=1/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)",C11H16N2O2.HNO3,,,,,,PRZXEPJJHQYOGF-KXNXZCPBSA-N,,,,,,,,,,,
100.025.281,227-809-3,5988-51-2,(2-hydroxyethyl)dimethylammonium hydrogen tartrate,"2-hydroxy-N,N-dimethylethanaminium hydrogen tartarate",C[NH+](C)CCO.OC(C(O)C(=O)[O-])C(=O)[O-],C[NH+](C)CCO.OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H11NO.C4H6O6/c1-5(2)3-4-6;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/p-1",C4H11NO.C4H6O6,,,,,,UIEGYKVRCKDVKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.025.282,227-810-9,5988-91-0,"3,7-dimethyloctanal","3,7-dimethyloctanal",CC(C)CCCC(C)CC=O,CC(C)CCCC(C)CC=O,"InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h8-10H,4-7H2,1-3H3",C10H20O,,,,,,UCSIFMPORANABL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.285,227-814-0,5989-33-3,"cis-a,a,5-trimethyl-5-vinyltetrahydrofuran-2-methanol",2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol,CC(C)(O)[C@H]1CC[C@](C)(O1)C=C,CC(C)(O)[C@H]1CC[C@](C)(O1)C=C,"InChI=1/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3",C10H18O2,,,,,,BRHDDEIRQPDPMG-PSASIEDQSA-N,,,,,,,,,,,
100.025.289,227-818-2,5992-13-2,10-[2-(dimethylamino)propyl]phenothiazine maleate,"N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine but-2-enedioate",CC(CN1c2ccccc2Sc3ccccc13)N(C)C.OC(=O)\\C=C/C(=O)O,CC(CN1c2ccccc2Sc3ccccc13)N(C)C.OC(=O)\C=C/C(=O)O,"InChI=1/C17H20N2S.C4H4O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;5-3(6)1-2-4(7)8/h4-11,13H,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C17H20N2S.xC4H4O4,,,,,,JSYGKADGBBTFIQ-BTJKTKAUSA-N,,,,,,,,,,,
100.025.298,227-828-7,5995-29-9,[(hexylimino)bis(methylene)]bisphosphonic acid,[(hexylimino)bis(methylene)]bis(phosphonic acid),CCCCCCN(CP(=O)(O)O)CP(=O)(O)O,CCCCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C8H21NO6P2/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15)",C8H21NO6P2,,,,,,ZXSMUDIPLKKQMI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.521,217-073-1,1733-93-3,"2,2'-[2-(dodecyloxy)ethyl]imino]bisethanol","2,2'-{[2-(dodecyloxy)ethyl]imino}diethanol",CCCCCCCCCCCCOCCN(CCO)CCO,CCCCCCCCCCCCOCCN(CCO)CCO,"InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-17-22-18-14-19(12-15-20)13-16-21/h20-21H,2-18H2,1H3",C18H39NO3,,,,,,HBHLHEJVEMYNOX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.523,217-075-2,1733-97-7,1-(naphthylmethyl)pyridinium chloride,1-(1-naphthylmethyl)pyridinium chloride,[Cl-].C(c1cccc2ccccc12)[n+]3ccccc3,[Cl-].C(c1cccc2ccccc12)[n+]3ccccc3,"InChI=1/C16H14N.ClH/c1-4-11-17(12-5-1)13-15-9-6-8-14-7-2-3-10-16(14)15;/h1-12H,13H2;1H/q+1;/p-1",C16H14N.Cl,,,,,,GWZGSBZBNYEUME-UHFFFAOYSA-M,,,,,,,,,,,
100.015.529,217-082-0,1736-34-1,6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole,6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole,CCn1c(C)nc2cc(c(Cl)cc12)C(F)(F)F,CCn1c(C)nc2cc(c(Cl)cc12)C(F)(F)F,"InChI=1/C11H10ClF3N2/c1-3-17-6(2)16-9-4-7(11(13,14)15)8(12)5-10(9)17/h4-5H,3H2,1-2H3",C11H10ClF3N2,,,,,,ZINJVKDSCBDJRX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.531,217-084-1,1736-71-6,o-(trifluoromethyl)phenylthiourea,1-{[2-(trifluoromethyl)phenyl]sulfanyl}urea,NC(=O)NSc1ccccc1C(F)(F)F,NC(=O)NSc1ccccc1C(F)(F)F,"InChI=1/C8H7F3N2OS/c9-8(10,11)5-3-1-2-4-6(5)15-13-7(12)14/h1-4H,(H3,12,13,14)",C8H7F3N2S,,,,,,POXJCWTVPPNMNT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.534,217-087-8,1737-80-0,"1,1,1,3,3,3-hexafluoropropane-2,2-diamine","1,1,1,3,3,3-hexafluoropropane-2,2-diamine",NC(N)(C(F)(F)F)C(F)(F)F,NC(N)(C(F)(F)F)C(F)(F)F,"InChI=1/C3H4F6N2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H2",C3H4F6N2,,,,,,NAIPMAOGJXOHIF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.537,217-090-4,1738-25-6,3-dimethylaminopropiononitrile,3-(dimethylamino)propanenitrile,CN(C)CCC#N,CN(C)CCC#N,"InChI=1/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3",C5H10N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17139,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.537,MTPJEFOSTIKRSS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.541,217-095-1,1738-77-8,O-benzyl-L-leucine toluene-p-sulphonate,benzyl L-leucinate 4-methylbenzenesulfonate,CC(C)C[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,CC(C)C[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,"InChI=1/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)",C13H19NO2.C7H8O3S,,,,,,QTQGHKVYLQBJLO-YDALLXLXSA-N,,,,,,,,,,,
100.015.542,217-096-7,1738-78-9,O-benzyl-3-phenyl-L-alanine toluene-4-sulphonate,benzyl phenylalaninate 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)O.N[C@@H](Cc2ccccc2)C(=O)OCc3ccccc3,Cc1ccc(cc1)S(=O)(=O)O.N[C@@H](Cc2ccccc2)C(=O)OCc3ccccc3,"InChI=1/C16H17NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15H,11-12,17H2;2-5H,1H3,(H,8,9,10)",C16H17NO2.C7H8O3S,,,,,,ZLZGBBIPWXUQST-RSAXXLAASA-N,,,,,,,,,,,
100.015.544,217-098-8,1738-87-0,p-nitrophenyl N-[(benzyloxy)carbonyl]-L-leucinate,4-nitrophenyl N-[(benzyloxy)carbonyl]-L-leucinate,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C20H22N2O6/c1-14(2)12-18(21-20(24)27-13-15-6-4-3-5-7-15)19(23)28-17-10-8-16(9-11-17)22(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)",C20H22N2O6,,,,,,UALXQWNUXKECJD-SFHVURJKSA-N,,,,,,,,,,,
100.015.545,217-099-3,1739-00-0,N-phenylphenethylamine,N-(2-phenylethyl)aniline,C(Cc1ccccc1)Nc2ccccc2,C(Cc1ccccc1)Nc2ccccc2,"InChI=1/C14H15N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-10,15H,11-12H2",C14H15N,,,,,,REUFZACIJMPYOK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.554,217-109-6,1742-91-2,3-methyl-2-[3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]benzothiazolium iodide,"3-methyl-2-[3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].C[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2C,[I-].C[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2C,"InChI=1/C19H17N2S2.HI/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;/h3-13H,1-2H3;1H/q+1;/p-1",C19H17N2S2.I,,,,,,FRYGPXUFBOGTFP-UHFFFAOYSA-M,,,,,,,,,,,
100.015.555,217-110-1,1742-95-6,"4-aminonaphthalene-1,8-dicarboximide","6-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione",Nc1ccc2C(=O)NC(=O)c3cccc1c23,Nc1ccc2C(=O)NC(=O)c3cccc1c23,"InChI=1/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)",C12H8N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18900,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.555,SSMIFVHARFVINF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.821,219-602-1,2475-44-7,"1,4-bis(methylamino)anthraquinone","1,4-bis(methylamino)-9,10-anthraquinone",CNc1ccc(NC)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(NC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3",C16H14N2O2,,,,,,QOSTVEDABRQTSU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.834,219-616-8,2481-94-9,"N,N-diethyl-p-(phenylazo)aniline","N,N-diethyl-4-(phenyldiazenyl)aniline",CCN(CC)c2ccc(N=Nc1ccccc1)cc2,CCN(CC)c2ccc(N=Nc1ccccc1)cc2,"InChI=1/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3",C16H19N3,,,,,,SJJISKLXUJVZOA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.838,219-621-5,2483-49-0,"4-nitrophenyl N-[(1,1-dimethylethoxy)carbonyl]-L-alaninate",4-nitrophenyl N-(tert-butoxycarbonyl)-L-alaninate,C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-7-5-10(6-8-11)16(19)20/h5-9H,1-4H3,(H,15,18)",C14H18N2O6,,,,,,SUHFNHHZORGDFI-VIFPVBQESA-N,,,,,,,,,,,
100.019.689,221-657-1,3179-47-3,Decyl methacrylate,decyl methacrylate,CCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3",C14H26O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11178,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.689,GTBGXKPAKVYEKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.697,221-666-0,3179-90-6,"1,4-dihydroxy-5,8-bis[(2-hydroxyethyl)amino]anthraquinone","1,4-dihydroxy-5,8-bis[(2-hydroxyethyl)amino]-9,10-anthraquinone",OCCNc1ccc(NCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,OCCNc1ccc(NCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,"InChI=1/C18H18N2O6/c21-7-5-19-9-1-2-10(20-6-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,19-24H,5-8H2",C18H18N2O6,,,,,,WHPNHQRWWMLKPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.698,221-667-6,3179-96-2,1-(methylamino)-4-(phenylamino)anthraquinone,"1-anilino-4-(methylamino)-9,10-anthraquinone",CNc1ccc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,CNc1ccc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C21H16N2O2/c1-22-16-11-12-17(23-13-7-3-2-4-8-13)19-18(16)20(24)14-9-5-6-10-15(14)21(19)25/h2-12,22-23H,1H3",C21H16N2O2,,,,,,TVBNRFCUTVWHQB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.701,221-670-2,3181-86-0,6-methyl-2-(2-methyl-6-quinolyl)benzothiazole-7-sulphonic acid,"6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid",Cc1ccc2cc(ccc2n1)c3nc4ccc(C)c(c4s3)S(=O)(=O)O,Cc1ccc2cc(ccc2n1)c3nc4ccc(C)c(c4s3)S(=O)(=O)O,"InChI=1/C18H14N2O3S2/c1-10-3-7-15-16(17(10)25(21,22)23)24-18(20-15)13-6-8-14-12(9-13)5-4-11(2)19-14/h3-9H,1-2H3,(H,21,22,23)",C18H14N2O3S2,,,,,,WXSWCUFLXDRACR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.109,225-420-3,3/09/4836,2-(methylthio)ethyl acrylate,2-(methylsulfanyl)ethyl acrylate,CSCCOC(=O)C=C,CSCCOC(=O)C=C,"InChI=1/C6H10O2S/c1-3-6(7)8-4-5-9-2/h3H,1,4-5H2,2H3",C6H10O2S,,,,,,KAGWLGUCGNNPFW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.112,225-424-5,4837-88-1,2-methyl-3-nitroanisole,1-methoxy-2-methyl-3-nitrobenzene,COc1cccc(c1C)[N+](=O)[O-],COc1cccc(c1C)[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3",C8H9NO3,,,,,,HQCZLEAGIOIIMC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.115,225-427-1,4840-75-9,"N,N,N',N',N'',N''-hexamethyl-1-phenylsilanetriamine","N,N,N',N',N'',N''-hexamethyl-1-phenylsilanetriamine",CN(C)[Si](N(C)C)(N(C)C)c1ccccc1,CN(C)[Si](N(C)C)(N(C)C)c1ccccc1,"InChI=1/C12H23N3Si/c1-13(2)16(14(3)4,15(5)6)12-10-8-7-9-11-12/h7-11H,1-6H3",C12H23N3Si,,,,,,VJDVRUZAQRISHN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.120,225-432-9,4845-99-2,Brucine sulphate,"2,3-dimethoxystrychnidin-10-one sulfate",COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2cc1OC.OS(=O)(=O)O,COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2cc1OC.OS(=O)(=O)O,"InChI=1/C23H26N2O4.H2O4S/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4)",C23H26N2O4.1/2H2O4S,,,,,,JBQBSCWFZJGIQL-SUJBTXFYSA-N,,,,,,,,,,,
100.023.124,225-437-6,4846-91-7,Fenoxazoline,"2-[(2-isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole",CC(C)c1ccccc1OCC2=NCCN2,CC(C)c1ccccc1OCC2=NCCN2,"InChI=1/C13H18N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)",C13H18N2O,,,,,,GFYSWQDCHLWRMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.263,225-589-3,4947-27-7,2-methyl-1-(phenylamino)anthraquinone,"1-anilino-2-methyl-9,10-anthraquinone",Cc1ccc2C(=O)c3ccccc3C(=O)c2c1Nc4ccccc4,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1Nc4ccccc4,"InChI=1/C21H15NO2/c1-13-11-12-17-18(19(13)22-14-7-3-2-4-8-14)21(24)16-10-6-5-9-15(16)20(17)23/h2-12,22H,1H3",C21H15NO2,,,,,,KESAQCMKDBKYJD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.272,225-599-8,4956-37-0,"Estra-1,3,5(10)-triene-3,17ß-diol 17-heptanoate","3-hydroxyestra-1,3,5(10)-trien-17-yl heptanoate",CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,"InChI=1/C25H36O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h9,11,16,20-23,26H,3-8,10,12-15H2,1-2H3",C25H36O3,,,,,,RFWTZQAOOLFXAY-BZDYCCQFSA-N,,,,,,,,,,,
100.016.052,217-656-0,1925-54-8,"1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one","1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC1(CBr)C(=O)C2,CC1(C)C2CCC1(CBr)C(=O)C2,"InChI=1/C10H15BrO/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h7H,3-6H2,1-2H3",C10H15BrO,,,,,,NWKJJEBSNWZSOD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.067,217-672-8,1928-40-1,"Propyl 2,4,5-trichlorophenoxyacetate","propyl (2,4,5-trichlorophenoxy)acetate",CCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C11H11Cl3O3/c1-2-3-16-11(15)6-17-10-5-8(13)7(12)4-9(10)14/h4-5H,2-3,6H2,1H3",C11H11Cl3O3,,,,,,KQPZLIOOEZZUFO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.068,217-673-3,1928-43-4,"2-ethylhexyl 2,4-dichlorophenoxyacetate","2-ethylhexyl (2,4-dichlorophenoxy)acetate",CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3",C16H22Cl2O3,,,,,,QZSFJRIWRPJUOH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.230,220-051-4,2618-96-4,N-(phenylsulphonyl)benzenesulphonamide,N-(phenylsulfonyl)benzenesulfonamide,O=S(=O)(NS(=O)(=O)c1ccccc1)c2ccccc2,O=S(=O)(NS(=O)(=O)c1ccccc1)c2ccccc2,"InChI=1/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H",C12H11NO4S2,,,,,,OVQABVAKPIYHIG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.231,220-053-5,5/05/2620,2-chloro-N-methyl-N-phenylacetamide,2-chloro-N-methyl-N-phenylacetamide,CN(C(=O)CCl)c1ccccc1,CN(C(=O)CCl)c1ccccc1,"InChI=1/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3",C9H10ClNO,,,,,,VUOFGWLJEBESHL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.241,220-064-5,2621-78-5,Ethyl benzylcarbamate,ethyl benzylcarbamate,CCOC(=O)NCc1ccccc1,CCOC(=O)NCc1ccccc1,"InChI=1/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)",C10H13NO2,,,,,,XSXLCQLOFRENHC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.245,220-068-7,4/08/2622,Tri-o-tolyl phosphite,tris(2-hydroxybenzyl) phosphite,Oc1ccccc1COP(OCc2ccccc2O)OCc3ccccc3O,Oc1ccccc1COP(OCc2ccccc2O)OCc3ccccc3O,"InChI=1/C21H21O6P/c22-19-10-4-1-7-16(19)13-25-28(26-14-17-8-2-5-11-20(17)23)27-15-18-9-3-6-12-21(18)24/h1-12,22-24H,13-15H2",C21H21O3P,,,,,,PYJQBLKAYAQHNU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.753,221-728-7,3214-47-9,"Tetrasodium 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate","tetrasodium 3-({4-[({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-3-methylphenyl}carbamoyl)amino]-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cccc1c6cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2C)NC(=O)Nc5ccc(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cccc1c6cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2C)NC(=O)Nc5ccc(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,"InChI=1/C35H28N6O13S4.4Na/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C35H28N6O13S4.4Na,,,,,,XRFRTDKENRGSSX-UHFFFAOYSA-J,,,,,,,,,,,
100.019.757,221-732-9,3216-47-5,3-(chloromethyl)benzo[b]thiophene,3-(chloromethyl)-1-benzothiophene,ClCc1csc2ccccc12,ClCc1csc2ccccc12,"InChI=1/C9H7ClS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2",C9H7ClS,,,,,,JIXGRXJTSCZWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.758,221-733-4,3216-48-6,Benzo[b]thiophene-3-acetonitrile,1-benzothiophen-3-ylacetonitrile,N#CCc1csc2ccccc12,N#CCc1csc2ccccc12,"InChI=1/C10H7NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2",C10H7NS,,,,,,DEELHLMCCWZFFE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.763,221-739-7,6/03/3217,"3,6,9,12,15-pentaazaheptadecane-1,17-diol","3,6,9,12,15-pentaazaheptadecane-1,17-diol",OCCNCCNCCNCCNCCNCCO,OCCNCCNCCNCCNCCNCCO,"InChI=1/C12H31N5O2/c18-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-12-19/h13-19H,1-12H2",C12H31N5O2,,,,,,CKNOMPZYERDMTR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.769,221-746-5,3219-63-4,(trimethylsilyl)methanol,(trimethylsilyl)methanol,C[Si](C)(C)CO,C[Si](C)(C)CO,"InChI=1/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3",C4H12OSi,,,,,,ZQKNBDOVPOZPLY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.562,217-118-5,1745-72-8,Dichlorodivinylsilane,dichloro(divinyl)silane,Cl[Si](Cl)(C=C)C=C,Cl[Si](Cl)(C=C)C=C,"InChI=1/C4H6Cl2Si/c1-3-7(5,6)4-2/h3-4H,1-2H2",C4H6Cl2Si,,,,,,MAYIDWCWWMOISO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.563,217-119-0,1745-81-9,2-allylphenol,2-allylphenol,Oc1ccccc1CC=C,Oc1ccccc1CC=C,"InChI=1/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2",C9H10O,,,,,,QIRNGVVZBINFMX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.566,217-122-7,1746-01-6,"2,3,7,8-tetrachlorodibenzo[b,e][1,4]dioxin","2,3,7,8-tetrachlorooxanthrene",Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,InChI=1/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H,C12H4Cl4O2,,,,,,HGUFODBRKLSHSI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.574,217-131-6,1748-04-5,"Uridine 2',3',5'-tribenzoate","2',3',5'-tri-O-benzoyluridine",O=C(OC[C@H]1O[C@H]([C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c3ccccc3)N4C=CC(=O)NC4=O)c5ccccc5,O=C(OC[C@H]1O[C@H]([C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c3ccccc3)N4C=CC(=O)NC4=O)c5ccccc5,"InChI=1/C30H24N2O9/c33-23-16-17-32(30(37)31-23)26-25(41-29(36)21-14-8-3-9-15-21)24(40-28(35)20-12-6-2-7-13-20)22(39-26)18-38-27(34)19-10-4-1-5-11-19/h1-17,22,24-26H,18H2,(H,31,33,37)",C30H24N2O9,,,,,,MPYUTOYNCCRZAC-VNSJUHMKSA-N,,,,,,,,,,,
100.015.575,217-132-1,1748-09-0,"Nicotinic acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)","nicotinic acid - 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (1:1)",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OC(=O)c4cccnc4,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OC(=O)c4cccnc4,"InChI=1/C20H21NO4.C6H5NO2/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;8-6(9)5-2-1-3-7-4-5/h5-8,10-12H,9H2,1-4H3;1-4H,(H,8,9)",C20H21NO4.C6H5NO2,,,,,,NPAQBIPXGQGMRE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.582,217-140-5,1753-47-5,5-[[4-(dimethylamino)phenyl]methylene]barbituric acid,"5-[4-(dimethylamino)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione",O=C2NC(=O)NC(=O)\\C2=C/c1ccc(cc1)N(C)C,O=C2NC(=O)NC(=O)\C2=C/c1ccc(cc1)N(C)C,"InChI=1/C13H13N3O3/c1-16(2)9-5-3-8(4-6-9)7-10-11(17)14-13(19)15-12(10)18/h3-7H,1-2H3,(H2,14,15,17,18,19)",C13H13N3O3,,,,,,NAPLVLRBYHFCJP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.877,227-364-5,5806-72-4,"2,4-bis(1,1,3,3-tetramethylbutyl)phenol","2,4-bis(1,1,3,3-tetramethylbutyl)phenol",CC(C)(C)CC(C)(C)c1ccc(O)c(c1)C(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)c1ccc(O)c(c1)C(C)(C)CC(C)(C)C,"InChI=1/C22H38O/c1-19(2,3)14-21(7,8)16-11-12-18(23)17(13-16)22(9,10)15-20(4,5)6/h11-13,23H,14-15H2,1-10H3",C22H38O,,,,,,DNYCICZKXQGHBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.878,227-365-0,5806-89-3,"[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid","{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}arsonic acid",Nc1nc(N)nc(Nc2ccc(cc2)[As](=O)(O)O)n1,Nc1nc(N)nc(Nc2ccc(cc2)[As](=O)(O)O)n1,"InChI=1/C9H11AsN6O3/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(2-4-6)10(17,18)19/h1-4H,(H2,17,18,19)(H5,11,12,13,14,15,16)",C9H11AsN6O3,,,,,,VURSAWSSSICZRY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.879,227-366-6,3/02/5807,4-morpholinoacetonitrile,morpholin-4-ylacetonitrile,N#CCN1CCOCC1,N#CCN1CCOCC1,InChI=1/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2,C6H10N2O,,,,,,OOSOCAXREAGIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.883,227-370-8,5809-23-4,2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid,2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid,CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,"InChI=1/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)",C18H19NO4,,,,,,FQNKTJPBXAZUGC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.885,227-372-9,7/11/5810,"2-chloro-N,N-dimethyl-3-oxobutyramide","2-chloro-N,N-dimethyl-3-oxobutanamide",CN(C)C(=O)C(Cl)C(=O)C,CN(C)C(=O)C(Cl)C(=O)C,"InChI=1/C6H10ClNO2/c1-4(9)5(7)6(10)8(2)3/h5H,1-3H3",C6H10ClNO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6415,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.885,QJACRCAPQIYMIH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.886,227-373-4,5810-18-4,11-cyanoundecanoic acid,11-cyanoundecanoic acid,OC(=O)CCCCCCCCCCC#N,OC(=O)CCCCCCCCCCC#N,"InChI=1/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-10H2,(H,14,15)",C12H21NO2,,,,,,YKHZGLKQBYTRHO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.845,229-529-7,6591-53-3,Bismuth lactate,bismuth(3+) tris(2-hydroxypropanoate),[BiH3+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[BiH3+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/3C3H6O3.Bi.3H/c3*1-2(4)3(5)6;;;;/h3*2,4H,1H3,(H,5,6);;;;/q;;;+3;;;/p-3/r3C3H6O3.BiH3/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);1H3/q;;;+3/p-3",C6H9BiO6,,,,,,ASOAAYYASHKNSP-UHFFFAOYSA-K,,,,,,,,,,,
100.026.849,229-533-9,6592-85-4,Hydrastinine,"6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ol",CN1CCc2cc3OCOc3cc2C1O,CN1CCc2cc3OCOc3cc2C1O,"InChI=1/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3",C11H13NO3,,,,,,YOJQZPVUNUQTDF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.850,229-534-4,6596-40-3,Pentacontane,pentacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3",C50H102,,,,,,PFLUOWJPZLHUEA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.851,229-536-5,6596-77-6,"2,5-dihydroxy-4-octadecylbenzenesulphonic acid","2,5-dihydroxy-4-octadecylbenzenesulfonic acid",CCCCCCCCCCCCCCCCCCc1cc(O)c(cc1O)S(=O)(=O)O,CCCCCCCCCCCCCCCCCCc1cc(O)c(cc1O)S(=O)(=O)O,"InChI=1/C24H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-23(26)24(20-22(21)25)30(27,28)29/h19-20,25-26H,2-18H2,1H3,(H,27,28,29)",C24H42O5S,,,,,,GMEWXTUITOHSIL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.859,229-544-9,6601-22-5,"2,4-dichloro-6-morpholino-1,3,5-triazine","2,4-dichloro-6-morpholin-4-yl-1,3,5-triazine",Clc1nc(Cl)nc(n1)N2CCOCC2,Clc1nc(Cl)nc(n1)N2CCOCC2,InChI=1/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2,C7H8Cl2N4O,,,,,,UQAMDAUJTXFNAD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.862,229-548-0,6602-33-1,"2,6-dibromopyridin-3-ol","2,6-dibromopyridin-3-ol",Oc1ccc(Br)nc1Br,Oc1ccc(Br)nc1Br,"InChI=1/C5H3Br2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H",C5H3Br2NO,,,,,,RKOLKIWJSXSHLV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.864,229-550-1,6602-54-6,2-chloronicotinonitrile,2-chloronicotinonitrile,N#Cc1cccnc1Cl,N#Cc1cccnc1Cl,InChI=1/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H,C6H3ClN2,,,,,,JAUPUQRPBNDMDT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.870,229-556-4,6608-80-6,"2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]ethyl(dimethyl)amine","2-[2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-N,N-dimethylethanamine",CN(C)CCOCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,CN(C)CCOCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C21H26ClN3O3S/c1-24(2)13-14-28-15-16-29(26,27)20-9-7-19(8-10-20)25-12-11-21(23-25)17-3-5-18(22)6-4-17/h3-10H,11-16H2,1-2H3",C21H26ClN3O3S,,,,,,OKLQMPFASOHRNX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.871,229-558-5,6608-82-8,"2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]-N,N-dimethylpropylamine","2-[2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-N,N-dimethylpropan-1-amine",CC(CN(C)C)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,CC(CN(C)C)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C22H28ClN3O3S/c1-17(16-25(2)3)29-14-15-30(27,28)21-10-8-20(9-11-21)26-13-12-22(24-26)18-4-6-19(23)7-5-18/h4-11,17H,12-16H2,1-3H3",C22H28ClN3O3S,,,,,,WLROGNWKSOTRSC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.840,219-623-6,2484-30-2,"(17ß)-hydroxyandrosta-4,6-dien-3-one","17-hydroxyandrosta-4,6-dien-3-one",C[C@]43CCC(=O)\\C=C4\\C=C/[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]43CCC(=O)\C=C4\C=C/[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12,"InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,11,14-17,21H,5-10H2,1-2H3",C19H26O2,,,,,,UMDCOKNNLDEKJB-DYKIIFRCSA-N,,,,,,,,,,,
100.017.845,219-628-3,2486-13-7,"2,4-dinitrostilbene","2,4-dinitro-1-(2-phenylvinyl)benzene",[O-][N+](=O)c1ccc(\\C=C\\c2ccccc2)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(\C=C\c2ccccc2)c(c1)[N+](=O)[O-],InChI=1/C14H10N2O4/c17-15(18)13-9-8-12(14(10-13)16(19)20)7-6-11-4-2-1-3-5-11/h1-10H,C14H10N2O4,,,,,,YHUVJTKXOKHAQP-VOTSOKGWSA-N,,,,,,,,,,,
100.017.846,219-629-9,2486-70-6,4-amino-3-methylbenzoic acid,4-amino-3-methylbenzoic acid,Cc1cc(ccc1N)C(=O)O,Cc1cc(ccc1N)C(=O)O,"InChI=1/C8H9NO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H,10,11)",C8H9NO2,,,,,,NHFKECPTBZZFBC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.848,219-632-5,2486-80-8,4-amino-o-anisic acid,4-amino-2-methoxybenzoic acid,COc1cc(N)ccc1C(=O)O,COc1cc(N)ccc1C(=O)O,"InChI=1/C8H9NO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)",C8H9NO3,,,,,,OLJXRTRRJSMURJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.307,223-437-0,3891-33-6,"1,4-bis(vinyloxy)butane","1,4-bis(vinyloxy)butane",C=COCCCCOC=C,C=COCCCCOC=C,"InChI=1/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2",C8H14O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16351,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.307,MWZJGRDWJVHRDV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.309,223-439-1,3891-59-6,Glucose pentaacetate,"2,3,4,5,6-penta-O-acetyl-D-glucose",CC(=O)OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C=O,CC(=O)OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C=O,"InChI=1/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3",C16H22O11,,,,,,UAOKXEHOENRFMP-ZJIFWQFVSA-N,,,,,,,,,,,
100.021.321,223-452-2,3900-13-8,Dihexyl hydrogen phosphate,dihexyl hydrogen phosphate,CCCCCCOP(=O)(O)OCCCCCC,CCCCCCOP(=O)(O)OCCCCCC,"InChI=1/C12H27O4P/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,14)",C12H27O4P,,,,,,HUDSKKNIXMSHSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.327,223-459-0,3902-71-4,Trioxysalen,"2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one",CC1=CC(=O)Oc2c(C)c3oc(C)cc3cc12,CC1=CC(=O)Oc2c(C)c3oc(C)cc3cc12,"InChI=1/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3",C14H12O3,,,,,,FMHHVULEAZTJMA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.334,223-466-9,3908-55-2,Trimethyl(methylthio)silane,trimethyl(methylsulfanyl)silane,CS[Si](C)(C)C,CS[Si](C)(C)C,"InChI=1/C4H12SSi/c1-5-6(2,3)4/h1-4H3",C4H12SSi,,,,,,JDYCDPFQWXHUDL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.337,223-470-0,8/02/3913,2-butyloctan-1-ol,2-butyloctan-1-ol,CCCCCCC(CO)CCCC,CCCCCCC(CO)CCCC,"InChI=1/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3",C12H26O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11955,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.337,XMVBHZBLHNOQON-UHFFFAOYSA-N,,,,,,,,,,,
100.018.224,220-045-1,2615-15-8,"3,6,9,12,15-pentaoxaheptadecane-1,17-diol","3,6,9,12,15-pentaoxaheptadecane-1,17-diol",OCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCO,"InChI=1/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2",C12H26O7,,,,,,IIRDTKBZINWQAW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.227,220-048-8,2618-25-9,Ioglycamic acid,"3,3'-{oxybis[(1-oxoethane-2,1-diyl)imino]}bis(2,4,6-triiodobenzoic acid)",OC(=O)c1c(I)cc(I)c(NC(=O)COCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,OC(=O)c1c(I)cc(I)c(NC(=O)COCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,"InChI=1/C18H10I6N2O7/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)",C18H10I6N2O7,,,,,,FZDZULUFHNDEDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.228,220-049-3,2618-26-0,"Disodium 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodobenzoate]","disodium 3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoate)",[Na+].[Na+].[O-]C(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)[O-])c2I)c1I,[Na+].[Na+].[O-]C(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)[O-])c2I)c1I,"InChI=1/C20H14I6N2O6.2Na/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34;;/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34);;/q;2*+1/p-2",C20H14I6N2O6.2Na,,,,,,SIZXNBZGPPPFHM-UHFFFAOYSA-L,,,,,,,,,,,
100.018.232,220-054-0,9/09/2620,"N,N'-ethylenebis[2-chloroacetamide]","N,N'-ethane-1,2-diylbis(2-chloroacetamide)",ClCC(=O)NCCNC(=O)CCl,ClCC(=O)NCCNC(=O)CCl,"InChI=1/C6H10Cl2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)",C6H10Cl2N2O2,,,,,,BQUBHNCENTUVMP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.233,220-055-6,2620-44-2,"1,2-(methylenedioxy)-4-nitrobenzene","5-nitro-1,3-benzodioxole",[O-][N+](=O)c1ccc2OCOc2c1,[O-][N+](=O)c1ccc2OCOc2c1,"InChI=1/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2",C7H5NO4,,,,,,SNWQAKNKGGOVMO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.238,220-060-3,4/01/2621,2-(trichlorosilyl)propiononitrile,2-(trichlorosilyl)propanenitrile,CC(C#N)[Si](Cl)(Cl)Cl,CC(C#N)[Si](Cl)(Cl)Cl,"InChI=1/C3H4Cl3NSi/c1-3(2-7)8(4,5)6/h3H,1H3",C3H4Cl3NSi,,,,,,JHVCHXGNRUSRFD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.074,217-680-1,1929-73-3,"2-butoxyethyl 2,4-dichlorophenoxyacetate","2-butoxyethyl (2,4-dichlorophenoxy)acetate",CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl,CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3",C14H18Cl2O4,,,,,,ZMWGIGHRZQTQRE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.076,217-682-2,1929-82-4,Nitrapyrin,2-chloro-6-(trichloromethyl)pyridine,Clc1cccc(n1)C(Cl)(Cl)Cl,Clc1cccc(n1)C(Cl)(Cl)Cl,"InChI=1/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H",C6H3Cl4N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6454,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.076,DCUJJWWUNKIJPH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.077,217-683-8,1929-86-8,Potassium 2-(4-chloro-2-methylphenoxy)propionate,potassium 2-(4-chloro-2-methylphenoxy)propanoate,[K+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],[K+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.K/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+1/p-1",C10H11ClO3.K,,,,,,OFCQYQOZASISIU-UHFFFAOYSA-M,,,,,,,,,,,
100.016.082,217-689-0,1931-60-8,"2,2-methylenesuccinyl dichloride",2-methylsuccinoyl dichloride,CC(CC(=O)Cl)C(=O)Cl,CC(CC(=O)Cl)C(=O)Cl,"InChI=1/C5H6Cl2O2/c1-3(5(7)9)2-4(6)8/h3H,2H2,1H3",C5H4Cl2O2,,,,,,XWGXLRRTBBCVMC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.085,217-692-7,3/04/1932,"1,1'-ethylenedipiperidine","1,1'-ethane-1,2-diyldipiperidine",C(CN1CCCCC1)N2CCCCC2,C(CN1CCCCC1)N2CCCCC2,InChI=1/C12H24N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H2,C12H24N2,,,,,,UYMQPNRUQXPLCY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.088,217-695-3,1932-92-9,2-propynyl propionate,prop-2-yn-1-yl propionate,CCC(=O)OCC#C,CCC(=O)OCC#C,"InChI=1/C6H8O2/c1-3-5-8-6(7)4-2/h1H,4-5H2,2H3",C6H8O2,,,,,,BGRYSGVIVVUJHH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.272,217-898-7,2002-16-6,1-phenylguanidine,1-phenylguanidine,NC(=N)Nc1ccccc1,NC(=N)Nc1ccccc1,"InChI=1/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)",C7H9N3,,,,,,QRJZGVVKGFIGLI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.273,217-899-2,2002-22-4,"(S)-a-amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propionic acid","3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)alanine",N[C@@H](CC1=CNC(=S)N1)C(=O)O,N[C@@H](CC1=CNC(=S)N1)C(=O)O,"InChI=1/C6H9N3O2S/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)",C6H9N3O2S,,,,,,FVNKWWBXNSNIAR-BYPYZUCNSA-N,,,,,,,,,,,
100.016.275,217-901-1,2002-29-1,Flumetasone 21-pivalate,"6,9-difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate",CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3",C27H36F2O6,,,,,,JWRMHDSINXPDHB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.276,217-902-7,2002-44-0,L-prolyl-L-leucylglycinamide,L-prolyl-L-leucylglycinamide,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N,"InChI=1/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)",C13H24N4O3,,,,,,NOOJLZTTWSNHOX-UWVGGRQHSA-N,,,,,,,,,,,
100.016.284,217-911-6,2/02/2006,9-arabinofuranosyladenine,9-D-arabinofuranosyl-9H-purin-6-amine,Nc1ncnc2c1ncn2C3O[C@H](CO)[C@@H](O)[C@@H]3O,Nc1ncnc2c1ncn2C3O[C@H](CO)[C@@H](O)[C@@H]3O,"InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)",C10H13N5O4,,,,,,OIRDTQYFTABQOQ-KBNQYOMWSA-N,,,,,,,,,,,
100.016.285,217-912-1,5/05/2006,"6,6-dimethoxy-2-methylhex-2-ene","6,6-dimethoxy-2-methylhex-2-ene",COC(CCC=C(C)C)OC,COC(CCC=C(C)C)OC,"InChI=1/C9H18O2/c1-8(2)6-5-7-9(10-3)11-4/h6,9H,5,7H2,1-4H3",C9H18O2,,,,,,NHPQZDRVSLYMOD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.291,217-918-4,2008-58-4,"2,6-dichlorobenzamide","2,6-dichlorobenzamide",NC(=O)c1c(Cl)cccc1Cl,NC(=O)c1c(Cl)cccc1Cl,"InChI=1/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)",C7H5Cl2NO,,,,,,JHSPCUHPSIUQRB-UHFFFAOYSA-N,Positive,AU337401|AU337402|AU337403|AU337404|AU337405;SM842901;EA008501|EA008502|EA008503|EA008504|EA008505|EA008506|EA008507|EA008508|EA008509|EA008510|EA008511|EA008512|EA008513|EA008514;UF405101|UF405102|UF405103|UF405104,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,189.9814:191.9783:172.9541|172.9541:174.9516:189.9814|172.9541:174.9516:173.9575|172.9541:174.9516:144.9599|172.9657:174.9623:144.9597;189.982:172.9555:171.9714;172.9555:146.9762:171.9716|189.982:172.9551|189.9821:172.9554:171.9713|172.9555:189.9821:171.9715|172.9556:189.9819:171.9715|172.9559:171.9714:164.0007|108.9838:164.0009:144.9604|189.9819:172.9548|189.982:172.9555:146.9761|172.9555:189.982:171.9714|172.9555:189.9819:172.9659|172.9555:172.9666:171.9715|172.9666:172.9555:108.9839|172.9555:146.9762:171.9714;172.9554:189.9819:171.9715|172.9554:171.9714:139.0058|172.9554:146.9762:171.9718|172.9554:146.9763:171.9715,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.016.293,217-921-0,2008-84-6,"Ethyl 4-[[4-(ethoxycarbonyl)phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate","ethyl 4-{[4-(ethoxycarbonyl)phenyl]diazenyl}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",CCOC(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccccc2)C3=O)C(=O)OCC,CCOC(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccccc2)C3=O)C(=O)OCC,"InChI=1/C21H20N4O5/c1-3-29-20(27)14-10-12-15(13-11-14)22-23-17-18(21(28)30-4-2)24-25(19(17)26)16-8-6-5-7-9-16/h5-13,17H,3-4H2,1-2H3",C21H20N4O5,,,,,,FKFWUHISCWCMPI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.298,217-926-8,2/06/2010,4-phenylthiazol-2-amine,"4-phenyl-1,3-thiazol-2-amine",Nc1nc(cs1)c2ccccc2,Nc1nc(cs1)c2ccccc2,"InChI=1/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)",C9H8N2S,,,,,,PYSJLPAOBIGQPK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.299,217-927-3,2010-15-3,3-phenyl-2-thioxoimidazolidin-4-one,3-phenyl-2-thioxoimidazolidin-4-one,O=C1CNC(=S)N1c2ccccc2,O=C1CNC(=S)N1c2ccccc2,"InChI=1/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)",C9H8N2OS,,,,,,ZZRIQDWDJVLELF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.300,217-928-9,2010-61-9,"4-methyl-a,a-bis(trifluoromethyl)benzyl alcohol","1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol",Cc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F,Cc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F,"InChI=1/C10H8F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2-5,17H,1H3",C10H8F6O,,,,,,AOAVZPXKNQAALI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.583,217-141-0,1753-98-6,2-methyl-5-(1-methylvinyl)cyclopentanecarbaldehyde,2-isopropenyl-5-methylcyclopentanecarbaldehyde,CC1CCC(C1C=O)C(=C)C,CC1CCC(C1C=O)C(=C)C,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8-10H,1,4-5H2,2-3H3",C10H16O,,,,,,JCDLXWAYWSJVTP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.588,217-146-8,1755-51-7,"2,2',2'',4,4'-pentamethoxytrityl alcohol","bis(2,4-dimethoxyphenyl)(2-methoxyphenyl)methanol",COc1ccc(c(OC)c1)C(O)(c2ccccc2OC)c3ccc(OC)cc3OC,COc1ccc(c(OC)c1)C(O)(c2ccccc2OC)c3ccc(OC)cc3OC,"InChI=1/C24H26O6/c1-26-16-10-12-19(22(14-16)29-4)24(25,18-8-6-7-9-21(18)28-3)20-13-11-17(27-2)15-23(20)30-5/h6-15,25H,1-5H3",C24H26O6,,,,,,GEPSNGQKRLULHW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.589,217-147-3,1755-54-0,4-allyl-2-ethoxyphenol,4-allyl-2-ethoxyphenol,CCOc1cc(CC=C)ccc1O,CCOc1cc(CC=C)ccc1O,"InChI=1/C11H14O2/c1-3-5-9-6-7-10(12)11(8-9)13-4-2/h3,6-8,12H,1,4-5H2,2H3",C11H14O2,,,,,,LEXYYUGWWDAGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.593,217-152-0,1758-45-8,"Bis[p-(1,1,3,3-tetramethylbutyl)phenyl] hydrogen phosphate","bis[4-(1,1,3,3-tetramethylbutyl)phenyl] hydrogen phosphate",CC(C)(C)CC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1,CC(C)(C)CC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1,"InChI=1/C28H43O4P/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)31-33(29,30)32-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3,(H,29,30)",C28H43O4P,,,,,,CJMDDRXHXPXLMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.600,217-159-9,1759-05-3,Bis(4-chloro-3-nitrophenyl) sulphone,"1,1'-sulfonylbis(4-chloro-3-nitrobenzene)",[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)c2ccc(Cl)c(c2)[N+](=O)[O-],[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)c2ccc(Cl)c(c2)[N+](=O)[O-],"InChI=1/C12H6Cl2N2O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H",C12H6Cl2N2O6S,,,,,,YSEMNCKHWQEMTC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.602,217-162-5,1759-53-1,Cyclopropanecarboxylic acid,cyclopropanecarboxylic acid,OC(=O)C1CC1,OC(=O)C1CC1,"InChI=1/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)",C4H6O2,,,,,,YMGUBTXCNDTFJI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.604,217-164-6,1760-24-3,N-(3-(trimethoxysilyl)propyl)ethylenediamine,"N-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine",CO[Si](CCCNCCN)(OC)OC,CO[Si](CCCNCCN)(OC)OC,"InChI=1/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3",C8H22N2O3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15039,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.604,PHQOGHDTIVQXHL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.607,217-167-2,1761-61-1,5-bromosalicylaldehyde,5-bromo-2-hydroxybenzaldehyde,Oc1ccc(Br)cc1C=O,Oc1ccc(Br)cc1C=O,"InChI=1/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H",C7H5BrO2,,,,,,MKKSTJKBKNCMRV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.609,217-169-3,1762-26-1,Ethyltrimethylplumbane,ethyl(trimethyl)plumbane,CC[Pb](C)(C)C,CC[Pb](C)(C)C,"InChI=1/C2H5.3CH3.Pb/c1-2;;;;/h1H2,2H3;3*1H3;/rC5H14Pb/c1-5-6(2,3)4/h5H2,1-4H3",C5H14Pb,,,,,,KHQJREYATBQBHY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.861,219-646-1,2490-60-0,"2,9-dichloroquino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone","2,9-dichloroquino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone",Clc1ccc2NC3=C(C(=O)C4=C(C3=O)C(=O)c5cc(Cl)ccc5N4)C(=O)c2c1,Clc1ccc2NC3=C(C(=O)C4=C(C3=O)C(=O)c5cc(Cl)ccc5N4)C(=O)c2c1,"InChI=1/C20H8Cl2N2O4/c21-7-1-3-11-9(5-7)17(25)13-15(23-11)19(27)14-16(20(13)28)24-12-4-2-8(22)6-10(12)18(14)26/h1-6H,(H,23,25)(H,24,26)",C20H8Cl2N2O4,,,,,,LGVIDCRFSIRUGG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.868,219-654-5,2491-32-9,Benzyl 4-hydroxyphenyl ketone,1-(4-hydroxyphenyl)-2-phenylethanone,Oc1ccc(cc1)C(=O)Cc2ccccc2,Oc1ccc(cc1)C(=O)Cc2ccccc2,"InChI=1/C14H12O2/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,15H,10H2",C14H12O2,,,,,,JBQTZLNCDIFCCO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.874,219-660-8,2492-26-4,Sodium benzothiazol-2-yl sulphide,"sodium 1,3-benzothiazole-2-thiolate",[Na+].[S-]c1nc2ccccc2s1,[Na+].[S-]c1nc2ccccc2s1,"InChI=1/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1",C7H5NS2.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2140,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.874,VLDHWMAJBNWALQ-UHFFFAOYSA-M,,,,,,,,,,,
100.019.376,221-313-0,3065-23-4,"2,4,5-trichlorophenyl N-[(benzyloxy)carbonyl]-L-valinate","2,4,5-trichlorophenyl N-[(benzyloxy)carbonyl]-D-valinate",CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2cc(Cl)c(Cl)cc2Cl,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2cc(Cl)c(Cl)cc2Cl,"InChI=1/C19H18Cl3NO4/c1-11(2)17(23-19(25)26-10-12-6-4-3-5-7-12)18(24)27-16-9-14(21)13(20)8-15(16)22/h3-9,11,17H,10H2,1-2H3,(H,23,25)",C19H18Cl3NO4,,,,,,KXDPKWZNNMFNOJ-KRWDZBQOSA-N,,,,,,,,,,,
100.019.378,221-315-1,3065-51-8,"2,3-dihydroxypropyl nonan-1-oate","2,3-dihydroxypropyl nonanoate",CCCCCCCCC(=O)OCC(O)CO,CCCCCCCCC(=O)OCC(O)CO,"InChI=1/C12H24O4/c1-2-3-4-5-6-7-8-12(15)16-10-11(14)9-13/h11,13-14H,2-10H2,1H3",C12H24O4,,,,,,BYPJBHDBVGRMOF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.380,221-317-2,3065-79-0,3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium iodide,"3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,"InChI=1/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1",C22H23N2S2.I,,,,,,SAEMBGFHGROQJZ-UHFFFAOYSA-M,,,,,,,,,,,
100.019.385,221-323-5,3068-00-6,"Butane-1,2,4-triol","butane-1,2,4-triol",OCCC(O)CO,OCCC(O)CO,"InChI=1/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2",C4H10O3,,,,,,ARXKVVRQIIOZGF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.513,231-364-0,7507-48-4,"2-tert-butyl-1,4-phenylene diacetate","2-tert-butyl-1,4-phenylene diacetate",CC(=O)Oc1ccc(OC(=O)C)c(c1)C(C)(C)C,CC(=O)Oc1ccc(OC(=O)C)c(c1)C(C)(C)C,"InChI=1/C14H18O4/c1-9(15)17-11-6-7-13(18-10(2)16)12(8-11)14(3,4)5/h6-8H,1-5H3",C14H18O4,,,,,,SJRALGDWZXRRKL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.471,229-118-2,2/07/6415,"1,1',1''-phosphinylidynetrispyrrolidine","1,1',1''-phosphoryltripyrrolidine",O=P(N1CCCC1)(N2CCCC2)N3CCCC3,O=P(N1CCCC1)(N2CCCC2)N3CCCC3,"InChI=1/C12H24N3OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2",C12H24N3OP,,,,,,GQOGEHIVQIMJMO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.474,229-121-9,6415-98-1,"Disodium 4-[[4-[bis[4-[(4-sulphonatophenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonate",-,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C3C=CC(=Nc4ccc(cc4)S(=O)(=O)[O-])C=C3)c5ccc(Nc6ccc(cc6)S(=O)(=O)[O-])cc5)cc1,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C3C=CC(=Nc4ccc(cc4)S(=O)(=O)[O-])C=C3)c5ccc(Nc6ccc(cc6)S(=O)(=O)[O-])cc5)cc1,"InChI=1/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-3",C37H29N3O9S3.2Na,,,,,,MCPLVIGCWWTHFH-UHFFFAOYSA-K,,,,,,,,,,,
100.026.476,229-124-5,6416-33-7,"Disodium 4-[(2,4-dichlorobenzoyl)amino]-5-hydroxy-6-[(2-methoxyphenyl)azo]naphthalene-1,7-disulphonate","disodium 4-[(2,4-dichlorobenzoyl)amino]-5-hydroxy-6-[(2-methoxyphenyl)diazenyl]naphthalene-1,7-disulfonate",[Na+].[Na+].O=C(Nc3ccc(c2cc(c(N=Nc1ccccc1OC)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c4ccc(Cl)cc4Cl,[Na+].[Na+].O=C(Nc3ccc(c2cc(c(N=Nc1ccccc1OC)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c4ccc(Cl)cc4Cl,"InChI=1/C24H17Cl2N3O9S2.2Na/c1-38-18-5-3-2-4-16(18)28-29-22-20(40(35,36)37)11-14-19(39(32,33)34)9-8-17(21(14)23(22)30)27-24(31)13-7-6-12(25)10-15(13)26;;/h2-11,30H,1H3,(H,27,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C24H17Cl2N3O9S2.2Na,,,,,,LMRUODWSEVNSID-UHFFFAOYSA-L,,,,,,,,,,,
100.026.484,229-132-9,6416-73-5,"Trimethylammonium 2,4-dichlorophenoxyacetate","N,N-dimethylmethanaminium (2,4-dichlorophenoxy)acetate",C[NH+](C)C.[O-]C(=O)COc1ccc(Cl)cc1Cl,C[NH+](C)C.[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.C3H9N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-4(2)3/h1-3H,4H2,(H,11,12);1-3H3",C8H6Cl2O3.C3H9N,,,,,,ZRRWVAQQSHSQOM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.485,229-133-4,6417-19-2,4-[[4-(1-naphthylazo)-1-naphthyl]azo]naphthalen-1-amine,4-{[4-(1-naphthyldiazenyl)-1-naphthyl]diazenyl}naphthalen-1-amine,Nc6ccc(N=Nc4ccc(N=Nc2cccc1ccccc12)c3ccccc34)c5ccccc56,Nc6ccc(N=Nc4ccc(N=Nc2cccc1ccccc12)c3ccccc34)c5ccccc56,"InChI=1/C30H21N5/c31-26-16-17-28(23-12-4-3-11-22(23)26)33-35-30-19-18-29(24-13-5-6-14-25(24)30)34-32-27-15-7-9-20-8-1-2-10-21(20)27/h1-19H,31H2",C30H21N5,,,,,,ZMDMAAJOOWVNAF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.489,229-138-1,6417-43-2,"Bis(2-hydroxyethyl)ammonium 2,4,5-trichlorophenoxyacetate","2-hydroxy-N-(2-hydroxyethyl)ethanaminium (2,4,5-trichlorophenoxy)acetate",OCC[NH2+]CCO.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,OCC[NH2+]CCO.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3.C4H11NO2/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;6-3-1-5-2-4-7/h1-2H,3H2,(H,12,13);5-7H,1-4H2",C8H5Cl3O3.C4H11NO2,,,,,,QKBDWMJBSCEOOL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.496,229-146-5,6419-19-8,Nitrilotrimethylenetris(phosphonic acid),[nitrilotris(methylene)]tris(phosphonic acid),OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)",C3H12NO9P3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15198,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.496,YDONNITUKPKTIG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.128,230-940-9,6/12/7379,2-methylhexan-3-one,2-methylhexan-3-one,CCCC(=O)C(C)C,CCCC(=O)C(C)C,"InChI=1/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3",C7H14O,,,,,,HIGGFWFRAWSMBR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.301,227-831-3,5995-33-5,[(dodecylimino)bis(methylene)]bisphosphonic acid,[(dodecylimino)bis(methylene)]bis(phosphonic acid),CCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O,CCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C14H33NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21)",C14H33NO6P2,,,,,,JKCMTSPAYIZSGR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.313,227-844-4,6001-87-2,Methyl 3-chloropropionate,methyl 3-chloropropanoate,COC(=O)CCCl,COC(=O)CCCl,"InChI=1/C4H7ClO2/c1-7-4(6)2-3-5/h2-3H2,1H3",C4H7ClO2,,,,,,GZGJIACHBCQSPC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.326,227-859-6,6007-26-7,"2-methyl-1,3-dithiane","2-methyl-1,3-dithiane",CC1SCCCS1,CC1SCCCS1,"InChI=1/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3",C5H10S2,,,,,,KXROTPXCYDXGSC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.330,227-863-8,9/09/6010,Iron di(thiocyanate),iron(2+) bis(thiocyanate),[Fe+2].[S-]C#N.[S-]C#N,[Fe+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Fe/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Fe,,,,,,DXTCFKRAUYBHRC-UHFFFAOYSA-L,,,,,,,,,,,
100.025.338,227-872-7,6018-82-2,Trimethyl(vinyl)ammonium chloride,"N,N,N-trimethylethenaminium chloride",[Cl-].C[N+](C)(C)C=C,[Cl-].C[N+](C)(C)C=C,"InChI=1/C5H12N.ClH/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1",C5H12N.Cl,,,,,,JCAPHLPCWXAZLG-UHFFFAOYSA-M,,,,,,,,,,,
100.025.339,227-873-2,6018-92-4,Trinickel dicitrate,trinickel dicitrate,[Ni+2].[Ni+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ni+2].[Ni+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Ni/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3/2Ni,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14139,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.339,UPPLJLAHMKABPR-UHFFFAOYSA-H,,,,,,,,,,,
100.018.240,220-062-4,2621-62-7,"2-(2,5-dichlorophenyl)acetamide","2-(2,5-dichlorophenyl)acetamide",NC(=O)Cc1cc(Cl)ccc1Cl,NC(=O)Cc1cc(Cl)ccc1Cl,"InChI=1/C8H7Cl2NO/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H2,11,12)",C8H7Cl2NO,,,,,,JMEOYESAUBSRHK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.246,220-069-2,2622-14-2,Tricyclohexylphosphine,tricyclohexylphosphine,C1CCC(CC1)P(C2CCCCC2)C3CCCCC3,C1CCC(CC1)P(C2CCCCC2)C3CCCCC3,"InChI=1/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2",C18H33P,,,,,,WLPUWLXVBWGYMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.751,221-726-6,3212-75-7,Cyclooct-2-en-1-ol,cyclooct-2-en-1-ol,OC1CCCCCC=C1,OC1CCCCCC=C1,"InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h4,6,8-9H,1-3,5,7H2",C8H14O,,,,,,UJZBDMYKNUWDPM-XQRVVYSFSA-N,,,,,,,,,,,
100.019.752,221-727-1,3213-73-8,"3,3,5-trimethylcyclohexaneacetic acid","(3,3,5-trimethylcyclohexyl)acetic acid",CC1CC(CC(=O)O)CC(C)(C)C1,CC1CC(CC(=O)O)CC(C)(C)C1,"InChI=1/C11H20O2/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h8-9H,4-7H2,1-3H3,(H,12,13)",C11H20O2,,,,,,VXUHWUNUVYCREV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.755,221-730-8,3215-64-3,"(2,6-dichlorophenyl)acetonitrile","(2,6-dichlorophenyl)acetonitrile",Clc1cccc(Cl)c1CC#N,Clc1cccc(Cl)c1CC#N,"InChI=1/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2",C8H5Cl2N,,,,,,AOEJUUCUKRUCEF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.756,221-731-3,3215-65-4,"2,3,6-trichlorophenylacetonitrile","(2,3,6-trichlorophenyl)acetonitrile",Clc1ccc(Cl)c(CC#N)c1Cl,Clc1ccc(Cl)c(CC#N)c1Cl,"InChI=1/C8H4Cl3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2",C8H4Cl3N,,,,,,ZUZLGSONCFESPE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.759,221-735-5,3216-88-4,"N,N'-ethylenebis[2-cyanoacetamide]","N,N'-ethane-1,2-diylbis(2-cyanoacetamide)",O=C(CC#N)NCCNC(=O)CC#N,O=C(CC#N)NCCNC(=O)CC#N,"InChI=1/C8H10N4O2/c9-3-1-7(13)11-5-6-12-8(14)2-4-10/h1-2,5-6H2,(H,11,13)(H,12,14)",C8H10N4O2,,,,,,MLIHWNHXHMKWJO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.760,221-736-0,3216-98-6,"4,7,10,13,16-pentaazanonadecanedinitrile","4,7,10,13,16-pentaazanonadecane-1,19-dinitrile",N#CCCNCCNCCNCCNCCNCCC#N,N#CCCNCCNCCNCCNCCNCCC#N,"InChI=1/C14H29N7/c15-3-1-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-2-4-16/h17-21H,1-2,5-14H2",C14H29N7,,,,,,QYNDCVPRVZOXJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.761,221-737-6,3216-99-7,"3,3'-[iminobis(ethyleneimino)]dipropiononitrile","3,3'-[iminobis(ethane-2,1-diylimino)]dipropanenitrile",N#CCCNCCNCCNCCC#N,N#CCCNCCNCCNCCC#N,"InChI=1/C10H19N5/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h13-15H,1-2,5-10H2",C10H19N5,,,,,,MGXGZXIKVYRCGW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.762,221-738-1,3217-00-3,"3,3'-(ethylenediimino)bispropiononitrile","3,3'-(ethane-1,2-diyldiimino)dipropanenitrile",N#CCCNCCNCCC#N,N#CCCNCCNCCC#N,"InChI=1/C8H14N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-2,5-8H2",C8H14N4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6060,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.762,RHRVANRKEISTIR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.764,221-740-2,3217-15-0,"4-bromo-2,6-dichlorophenol","4-bromo-2,6-dichlorophenol",Oc1c(Cl)cc(Br)cc1Cl,Oc1c(Cl)cc(Br)cc1Cl,"InChI=1/C6H3BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",C6H3BrCl2O,,,,,,KGURSDWHGSLAPP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.766,221-742-3,3218-36-8,p-phenylbenzaldehyde,biphenyl-4-carbaldehyde,O=Cc1ccc(cc1)c2ccccc2,O=Cc1ccc(cc1)c2ccccc2,InChI=1/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,C13H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11602,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.766,ISDBWOPVZKNQDW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.770,221-747-0,3220-50-6,(1-phenylvinyl)phosphonic acid,(1-phenylvinyl)phosphonic acid,OP(=O)(O)C(=C)c1ccccc1,OP(=O)(O)C(=C)c1ccccc1,"InChI=1/C8H9O3P/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H2,9,10,11)",C8H9O3P,,,,,,GSSDUXHQPXODCN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.564,217-120-6,1745-87-5,"4-methyl-2-propyl-1,3-dioxane","4-methyl-2-propyl-1,3-dioxane",CCCC1OCCC(C)O1,CCCC1OCCC(C)O1,"InChI=1/C8H16O2/c1-3-4-8-9-6-5-7(2)10-8/h7-8H,3-6H2,1-2H3",C8H16O2,,,,,,AHJYOYDRGYJRDR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.579,217-136-3,1752-24-5,"4,4'-iminodiphenol","4,4'-iminodiphenol",Oc1ccc(Nc2ccc(O)cc2)cc1,Oc1ccc(Nc2ccc(O)cc2)cc1,"InChI=1/C12H11NO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,13-15H",C12H11NO2,,,,,,YRUPBAWWCPVHFT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.580,217-137-9,1752-30-3,Acetone thiosemicarbazone,2-isopropylidenehydrazinecarbimidothioic acid,CC(=NNC(=N)S)C,CC(=NNC(=N)S)C,"InChI=1/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)",C4H9N3S,,,,,,FQUDPIIGGVBZEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.587,217-145-2,1755-01-7,"(3aa,4a,7a,7aa)-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene","3a,4,7,7a-tetrahydro-1H-4,7-methanoindene",C1C=C[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12,C1C=C[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12,"InChI=1/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2",C10H12,,,,,,HECLRDQVFMWTQS-RGOKHQFPSA-N,,,,,,,,,,,
100.015.591,217-149-4,1757-72-8,1-methyl-2-phenyl-1H-indole-3-carbaldehyde,1-methyl-2-phenyl-1H-indole-3-carbaldehyde,Cn1c(c(C=O)c2ccccc12)c3ccccc3,Cn1c(c(C=O)c2ccccc12)c3ccccc3,"InChI=1/C16H13NO/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3",C16H13NO,,,,,,YJOWMBICANYBLV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.304,217-933-6,2012-21-7,"2,4-distyrylphenol","2,4-bis(2-phenylvinyl)phenol",Oc1ccc(\\C=C\\c2ccccc2)cc1\\C=C\\c3ccccc3,Oc1ccc(\C=C\c2ccccc2)cc1\C=C\c3ccccc3,"InChI=1/C22H18O/c23-22-16-14-20(12-11-18-7-3-1-4-8-18)17-21(22)15-13-19-9-5-2-6-10-19/h1-17,23H",C22H18O,,,,,,CRPRNPDCERQCDS-NOVYJZLUSA-N,,,,,,,,,,,
100.016.305,217-934-1,2012-74-0,2-(4-chlorophenyl)-3-methylbutyric acid,2-(4-chlorophenyl)-3-methylbutanoic acid,CC(C)C(C(=O)O)c1ccc(Cl)cc1,CC(C)C(C(=O)O)c1ccc(Cl)cc1,"InChI=1/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)",C11H13ClO2,,,,,,VTJMSIIXXKNIDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.308,217-937-8,2013-26-5,Sodium 2-oxobutyrate,sodium 2-oxobutanoate,[Na+].CCC(=O)C(=O)[O-],[Na+].CCC(=O)C(=O)[O-],"InChI=1/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1",C4H6O3.Na,,,,,,SUAMAHKUSIHRMR-UHFFFAOYSA-M,,,,,,,,,,,
100.016.310,217-939-9,2013-91-4,[(dimethylamino)methylene]dimethylammonium methyl sulphate,N-[(dimethylamino)methylene]-N-methylmethanaminium methyl sulfate,COS(=O)(=O)[O-].CN(C)C=[N+](C)C,COS(=O)(=O)[O-].CN(C)C=[N+](C)C,"InChI=1/C5H13N2.CH4O4S/c1-6(2)5-7(3)4;1-5-6(2,3)4/h5H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C5H13N2.CH3O4S,,,,,,AOOJBRIQPYLGMR-UHFFFAOYSA-M,,,,,,,,,,,
100.016.311,217-940-4,2014-83-7,"2,6-dichlorobenzyl chloride","1,3-dichloro-2-(chloromethyl)benzene",ClCc1c(Cl)cccc1Cl,ClCc1c(Cl)cccc1Cl,"InChI=1/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2",C7H5Cl3,,,,,,LBOBESSDSGODDD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.318,217-948-8,2016-36-6,Choline salicylate,"2-hydroxy-N,N,N-trimethylethanaminium salicylate",C[N+](C)(C)CCO.Oc1ccccc1C(=O)[O-],C[N+](C)(C)CCO.Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.C5H14NO/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1",C7H5O3.C5H14NO,,,,,,UDKCHVLMFQVBAA-UHFFFAOYSA-M,,,,,,,,,,,
100.016.319,217-949-3,2016-38-8,Decylammonium acetate,decan-1-aminium acetate,CCCCCCCCCC[NH3+].CC(=O)[O-],CCCCCCCCCC[NH3+].CC(=O)[O-],"InChI=1/C10H23N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11;1-2(3)4/h2-11H2,1H3;1H3,(H,3,4)",C10H23N.C2H4O2,,,,,,FKOPCVJGLLMUNP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.705,221-674-4,3182-95-4,L-2-amino-3-phenylpropan-1-ol,2-amino-3-phenylpropan-1-ol,NC(CO)Cc1ccccc1,NC(CO)Cc1ccccc1,"InChI=1/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2",C9H13NO,,,,,,STVVMTBJNDTZBF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.707,221-677-0,3183-64-0,Diisobutylmethoxyaluminium,"(2,6-dimethylheptan-4-olato)aluminum(2+)",CC(C)CC(CC(C)C)O[Al+2],CC(C)CC(CC(C)C)O[Al+2],"InChI=1/C9H19O.Al/c1-7(2)5-9(10)6-8(3)4;/h7-9H,5-6H2,1-4H3;/q-1;+3/rC9H19AlO/c1-7(2)5-9(11-10)6-8(3)4/h7-9H,5-6H2,1-4H3/q+2",C9H21AlO,,,,,,YXEGQCLTWOCOIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.710,221-680-7,3184-36-9,"1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride","1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride",Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O,Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O,"InChI=1/C16H17NO4.ClH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-2,6-8,12,17-21H,3-5H2;1H",C16H17NO4.ClH,,,,,,WSIHAFYVFLJCQH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.714,221-684-9,3187-27-7,"Cyclohexane-1,1-diethanol","2,2'-cyclohexane-1,1-diyldiethanol",OCCC1(CCO)CCCCC1,OCCC1(CCO)CCCCC1,"InChI=1/C10H20O2/c11-8-6-10(7-9-12)4-2-1-3-5-10/h11-12H,1-9H2",C10H20O2,,,,,,WFUUAJVRMXKBBI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.724,221-695-9,3194-55-6,"1,2,5,6,9,10-hexabromocyclodecane","1,2,5,6,9,10-hexabromocyclododecane",BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,"InChI=1/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2",C12H18Br6,,,,,,DEIGXXQKDWULML-UHFFFAOYSA-N,,,,,,,,,,,
100.019.728,221-700-4,7/04/3198,Sodium 4-chloromercuriobenzoate,sodium (4-carboxylatophenyl)(chloro)mercury,[Na+].[O-]C(=O)c1ccc([Hg]Cl)cc1,[Na+].[O-]C(=O)c1ccc([Hg]Cl)cc1,"InChI=1/C7H5O2.ClH.Hg.Na/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);1H;;/q;;2*+1/p-2/rC7H5ClHgO2.Na/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4H,(H,10,11);/q;+1/p-1",C7H5ClHgO2.Na,,,,,,ZPTOQKOHSXSLGA-UHFFFAOYSA-L,,,,,,,,,,,
100.019.729,221-702-5,3198-15-0,"[R-(R*,S*)]-a-(1-aminoethyl)benzyl alcohol hydrochloride",2-amino-1-phenylpropan-1-ol,CC(N)C(O)c1ccccc1,CC(N)C(O)c1ccccc1,"InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3",C9H13NO.ClH,,,,,,DLNKOYKMWOXYQA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.732,221-705-1,3201-20-5,"2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one","4,4,5-trimethyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NNC(=O)C1(C)C,CC1=NNC(=O)C1(C)C,"InChI=1/C6H10N2O/c1-4-6(2,3)5(9)8-7-4/h1-3H3,(H,8,9)",C6H10N2O,,,,,,OYYADIVZIRDZGB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.738,221-711-4,8/09/3207,Butyl hydroxyethyl fumarate,butyl 1-hydroxyethyl but-2-enedioate,CCCCOC(=O)\\C=C\\C(=O)OC(C)O,CCCCOC(=O)\C=C\C(=O)OC(C)O,"InChI=1/C10H16O5/c1-3-4-7-14-9(12)5-6-10(13)15-8(2)11/h5-6,8,11H,3-4,7H2,1-2H3",C10H16O5,,,,,,XGMOPPIEAACFBE-AATRIKPKSA-N,,,,,,,,,,,
100.019.740,221-714-0,3208-16-0,2-ethylfuran,2-ethylfuran,CCc1occc1,CCc1occc1,"InChI=1/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3",C6H8O,,,,,,HLPIHRDZBHXTFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.386,221-324-0,3068-32-4,Tetra-O-acetyl-a-D-galactopyranosyl bromide,"2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosyl bromide",CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C,"InChI=1/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3",C14H19BrO9,,,,,,CYAYKKUWALRRPA-HTOAHKCRSA-N,,,,,,,,,,,
100.019.390,221-328-2,3068-76-6,N-[3-(trimethoxysilyl)propyl]aniline,N-[3-(trimethoxysilyl)propyl]aniline,CO[Si](CCCNc1ccccc1)(OC)OC,CO[Si](CCCNc1ccccc1)(OC)OC,"InChI=1/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3",C12H21NO3Si,,,,,,KBJFYLLAMSZSOG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.391,221-329-8,3068-78-8,N-[3-(trimethoxysilyl)propylcyclohexylamine],N-[3-(trimethoxysilyl)propyl]cyclohexanamine,CO[Si](CCCNC1CCCCC1)(OC)OC,CO[Si](CCCNC1CCCCC1)(OC)OC,"InChI=1/C12H27NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3",C12H27NO3Si,,,,,,KGNDVXPHQJMHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.393,221-331-9,3069-19-0,Hexyltrimethoxysilane,hexyl(trimethoxy)silane,CCCCCC[Si](OC)(OC)OC,CCCCCC[Si](OC)(OC)OC,"InChI=1/C9H22O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-9H2,1-4H3",C9H22O3Si,,,,,,CZWLNMOIEMTDJY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.401,221-340-8,3070-15-3,"O,O-diethyl O-[4-(methylthio)phenyl] thiophosphate","O,O-diethyl O-[4-(methylsulfanyl)phenyl] thiophosphate",CCOP(=S)(OCC)Oc1ccc(SC)cc1,CCOP(=S)(OCC)Oc1ccc(SC)cc1,"InChI=1/C11H17O3PS2/c1-4-12-15(16,13-5-2)14-10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3",C11H17O3PS2,,,,,,NYAZLCBHRWRNRY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.352,223-486-8,3919-74-2,3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid,3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid,Cc1onc(c1C(=O)O)c2c(F)cccc2Cl,Cc1onc(c1C(=O)O)c2c(F)cccc2Cl,"InChI=1/C11H7ClFNO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)",C11H7ClFNO3,,,,,,REIPZLFZMOQHJT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.364,223-499-9,3929-47-3,"3-(3,4-dimethoxyphenyl)propanol","3-(3,4-dimethoxyphenyl)propan-1-ol",COc1ccc(CCCO)cc1OC,COc1ccc(CCCO)cc1OC,"InChI=1/C11H16O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3",C11H16O3,,,,,,ZISWRXJZUKDIOO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.365,223-500-2,3930-13-0,"(R)-1-(3-hydroxy-2,4-dioxa-7-aza-3-phosphaoct-1-yl)ethylene dipalmitate P-oxide","5-hydroxy-5-oxido-2-(palmitoyloxy)-4,6-dioxa-9-aza-5-phosphadec-1-yl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C38H76NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39-3)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36,39H,4-35H2,1-3H3,(H,42,43)",C38H76NO8P,,,,,,QSBINWBNXWAVAK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.368,223-503-9,3932-49-8,"6a,9-difluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione 21-acetate","2-(4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)CCC5(C)C4(F)C(O)CC23C,CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)CCC5(C)C4(F)C(O)CC23C,"InChI=1/C26H34F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h8,15-16,18-19,21,31H,6-7,9-12H2,1-5H3",C26H34F2O7,,,,,,LYCTYBOMOJMCRM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.375,218-011-6,1/03/2038,2-morpholinoethylamine,2-morpholin-4-ylethanamine,NCCN1CCOCC1,NCCN1CCOCC1,InChI=1/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2,C6H14N2O,,,,,,RWIVICVCHVMHMU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.377,218-013-7,2039-44-3,Sodium 2-phenylethylene-1-sulphonate,sodium 2-phenylethenesulfonate,[Na+].[O-]S(=O)(=O)\\C=C\\c1ccccc1,[Na+].[O-]S(=O)(=O)\C=C\c1ccccc1,"InChI=1/C8H8O3S.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);/q;+1/p-1",C8H8O3S.Na,,,,,,MNCGMVDMOKPCSQ-UHDJGPCESA-M,,,,,,,,,,,
100.016.379,218-015-8,2039-54-5,m-methoxyphenethylamine hydrochloride,2-(3-methoxyphenyl)ethanamine hydrochloride,Cl.COc1cccc(CCN)c1,Cl.COc1cccc(CCN)c1,"InChI=1/C9H13NO.ClH/c1-11-9-4-2-3-8(7-9)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H",C9H13NO.ClH,,,,,,KDRBQDYHPKRFGX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.380,218-016-3,2039-66-9,2-(2-aminoethyl)phenol,2-(2-aminoethyl)phenol,NCCc1ccccc1O,NCCc1ccccc1O,"InChI=1/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5-6,9H2",C8H11NO,,,,,,FMEVAQARAVDUNY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.382,218-018-4,2039-68-1,"4,4'-diphenylstilbene","4,4'-ethene-1,2-diyldibiphenyl",C(=C\\c1ccc(cc1)c2ccccc2)/c3ccc(cc3)c4ccccc4,C(=C\c1ccc(cc1)c2ccccc2)/c3ccc(cc3)c4ccccc4,InChI=1/C26H20/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-20H,C26H20,,,,,,HXWQJYVUJPBQEW-VAWYXSNFSA-N,,,,,,,,,,,
100.016.383,218-020-5,2039-76-1,Methyl 3-phenanthryl ketone,1-(3-phenanthryl)ethanone,CC(=O)c1ccc2ccc3ccccc3c2c1,CC(=O)c1ccc2ccc3ccccc3c2c1,"InChI=1/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3",C16H12O,,,,,,JKVNPRNAHRHQDD-UHFFFAOYSA-N,Positive,SM810601,[M+H]+,HCD35,221.0961:179.0855:178.078,CASMI_2016,,,,,
100.025.342,227-876-9,6021-61-0,2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)anilino]ethyl acetate,2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-cyanoethyl)amino]ethyl acetate,CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-],CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-],"InChI=1/C19H18ClN5O4/c1-14(26)29-12-11-24(10-2-9-21)16-5-3-15(4-6-16)22-23-19-8-7-17(25(27)28)13-18(19)20/h3-8,13H,2,10-12H2,1H3",C19H18ClN5O4,,,,,,XSTSGWJEOIPFED-UHFFFAOYSA-N,,,,,,,,,,,
100.025.345,227-880-0,6023-29-6,"2,5-diethoxy-4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1)","bis(2,5-diethoxy-4-morpholin-4-ylbenzenediazonium) tetrachlorozincate(2-)",CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.CCOc3cc(N4CCOCC4)c(OCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.CCOc3cc(N4CCOCC4)c(OCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H20N3O3.4ClH.Zn/c2*1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;;;;;/h2*9-10H,3-8H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H20N3O3.Cl4Zn/c2*1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;1-5(2,3)4/h2*9-10H,3-8H2,1-2H3;/q2*+1;-2",C14H20N3O3.1/2Cl4Zn,,,,,,SZLASIXKMJGXJR-UHFFFAOYSA-J,,,,,,,,,,,
100.024.887,227-375-5,5810-42-4,Tetrapropylammonium chloride,"N,N,N-tripropylpropan-1-aminium chloride",[Cl-].CCC[N+](CCC)(CCC)CCC,[Cl-].CCC[N+](CCC)(CCC)CCC,"InChI=1/C12H28N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1",C12H28N.Cl,,,,,,FBEVECUEMUUFKM-UHFFFAOYSA-M,,,,,,,,,,,
100.024.888,227-376-0,5810-88-8,"O,O-bis(2-ethylhexyl) hydrogen dithiophosphate","O,O-bis(2-ethylhexyl) hydrogen dithiophosphate",CCCCC(CC)COP(=S)(S)OCC(CC)CCCC,CCCCC(CC)COP(=S)(S)OCC(CC)CCCC,"InChI=1/C16H35O2PS2/c1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,20,21)",C16H35O2PS2,,,,,,DQNJHGSFNUDORY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.889,227-377-6,5811-87-0,8-formyl-1-naphthoic acid,8-formyl-1-naphthoic acid,OC(=O)c1cccc2cccc(C=O)c12,OC(=O)c1cccc2cccc(C=O)c12,"InChI=1/C12H8O3/c13-7-9-5-1-3-8-4-2-6-10(11(8)9)12(14)15/h1-7H,(H,14,15)",C12H8O3,,,,,,HLHDIWAOQIRETC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.892,227-380-2,1/05/5814,2-chlorobenzohydrazide,2-chlorobenzohydrazide,NNC(=O)c1ccccc1Cl,NNC(=O)c1ccccc1Cl,"InChI=1/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)",C7H7ClN2O,,,,,,KPPNLSKVTKSSTG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.893,227-381-8,5814-42-6,3-(N-benzyl-N-methylamino)propan-1-ol,3-[benzyl(methyl)amino]propan-1-ol,CN(CCCO)Cc1ccccc1,CN(CCCO)Cc1ccccc1,"InChI=1/C11H17NO/c1-12(8-5-9-13)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3",C11H17NO,,,,,,YQAUZGVTGQVMPM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.895,227-383-9,7/08/5815,"1-tert-butoxy-N,N,N',N'-tetramethylmethylenediamine","1-tert-butoxy-N,N,N',N'-tetramethylmethanediamine",CN(C)C(OC(C)(C)C)N(C)C,CN(C)C(OC(C)(C)C)N(C)C,"InChI=1/C9H22N2O/c1-9(2,3)12-8(10(4)5)11(6)7/h8H,1-7H3",C9H22N2O,,,,,,HXRAMSFGUAOAJR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.898,227-387-0,4/02/5816,"10,10'-(1,2-ethanediylidene)bisanthracen-9(10H)-one","10,10'-ethane-1,2-diylidenedianthracen-9(10H)-one",O=C1c2ccccc2C(=CC=C3c4ccccc4C(=O)c5ccccc35)c6ccccc16,O=C1c2ccccc2C(=CC=C3c4ccccc4C(=O)c5ccccc35)c6ccccc16,InChI=1/C30H18O2/c31-29-25-13-5-1-9-19(25)23(20-10-2-6-14-26(20)29)17-18-24-21-11-3-7-15-27(21)30(32)28-16-8-4-12-22(24)28/h1-18H,C30H18O2,,,,,,JDBNNTPOYYRPHV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.900,227-389-1,4/06/5818,m-hydroxybenzohydrazide,3-hydroxybenzohydrazide,NNC(=O)c1cccc(O)c1,NNC(=O)c1cccc(O)c1,"InChI=1/C7H8N2O2/c8-9-7(11)5-2-1-3-6(10)4-5/h1-4,10H,8H2,(H,9,11)",C7H8N2O2,,,,,,OACGSLLKFCMXSX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.901,227-390-7,5818-15-5,Propionohydrazide,propanehydrazide,CCC(=O)NN,CCC(=O)NN,"InChI=1/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)",C3H8N2O,,,,,,DXGIRFAFSFKYCF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.911,227-402-0,5827-57-6,Chlorotridodecylstannane,chloro(tridodecyl)stannane,CCCCCCCCCCCC[Sn](Cl)(CCCCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCC[Sn](Cl)(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/3C12H25.ClH.Sn/c3*1-3-5-7-9-11-12-10-8-6-4-2;;/h3*1,3-12H2,2H3;1H;/q;;;;+1/p-1/rC36H75ClSn/c1-4-7-10-13-16-19-22-25-28-31-34-38(37,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",C36H75ClSn,,,,,,QMUWWEYTBMDCKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.024.914,227-405-7,5828-70-6,Dl-4-chloro-2-(alpha-methylbenzyl)phenol,4-chloro-2-(1-phenylethyl)phenol,CC(c1ccccc1)c2cc(Cl)ccc2O,CC(c1ccccc1)c2cc(Cl)ccc2O,"InChI=1/C14H13ClO/c1-10(11-5-3-2-4-6-11)13-9-12(15)7-8-14(13)16/h2-10,16H,1H3",C14H13ClO,,,,,,FOIOLHANQROKIC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.917,227-408-3,5831-60-7,1-(furfuryloxy)propan-2-ol,1-(2-furylmethoxy)propan-2-ol,CC(O)COCc1occc1,CC(O)COCc1occc1,"InChI=1/C8H12O3/c1-7(9)5-10-6-8-3-2-4-11-8/h2-4,7,9H,5-6H2,1H3",C8H12O3,,,,,,YVAQESYVWRGTLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.926,227-418-8,5834-16-2,3-methylthiophene-2-carbaldehyde,3-methylthiophene-2-carbaldehyde,Cc1ccsc1C=O,Cc1ccsc1C=O,"InChI=1/C6H6OS/c1-5-2-3-8-6(5)4-7/h2-4H,1H3",C6H6OS,,,,,,BSQKBHXYEKVKMN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.595,217-154-1,1758-48-1,o-phenylenediarsonic acid,"1,2-phenylenebis(arsonic acid)",O[As](=O)(O)c1ccccc1[As](=O)(O)O,O[As](=O)(O)c1ccccc1[As](=O)(O)O,"InChI=1/C6H8As2O6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H,(H2,9,10,11)(H2,12,13,14)",C6H8As2O6,,,,,,FBDWZBKCZCVCNV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.596,217-155-7,1758-61-8,Dicyclohexyl peroxide,"1,1'-dioxydicyclohexane",C1CCC(CC1)OOC2CCCCC2,C1CCC(CC1)OOC2CCCCC2,"InChI=1/C12H22O2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h11-12H,1-10H2",C12H22O2,,,,,,FYLJKQFMQFOLSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.598,217-157-8,1758-73-2,Aminoiminomethanesulphinic acid,amino(imino)methanesulfinic acid,NC(=N)S(=O)O,NC(=N)S(=O)O,"InChI=1/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)",CH4N2O2S,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15742,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.598,FYOWZTWVYZOZSI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.605,217-165-1,1760-71-0,4-chloro-6-nitro-o-cresol,4-chloro-2-methyl-6-nitrophenol,Cc1cc(Cl)cc(c1O)[N+](=O)[O-],Cc1cc(Cl)cc(c1O)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-4-2-5(8)3-6(7(4)10)9(11)12/h2-3,10H,1H3",C7H6ClNO3,,,,,,AQCYSHAXKXQEFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.612,217-173-5,1762-50-1,"1'-(phenylmethyl)-[1,4'-bipiperidine]-4'-carboxamide","1'-benzyl-1,4'-bipiperidine-4'-carboxamide",NC(=O)C1(CCN(Cc2ccccc2)CC1)N3CCCCC3,NC(=O)C1(CCN(Cc2ccccc2)CC1)N3CCCCC3,"InChI=1/C18H27N3O/c19-17(22)18(21-11-5-2-6-12-21)9-13-20(14-10-18)15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H2,19,22)",C18H27N3O,,,,,,YKESGDAJVLVZAA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.867,219-652-4,2491-20-5,Methyl L-alaninate hydrochloride,methyl L-alaninate hydrochloride,Cl.COC(=O)[C@H](C)N,Cl.COC(=O)[C@H](C)N,"InChI=1/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H",C4H9NO2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16529,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.867,IYUKFAFDFHZKPI-DFWYDOINSA-N,,,,,,,,,,,
100.017.870,219-656-6,2491-52-3,4-nitroazobenzene,1-(4-nitrophenyl)-2-phenyldiazene,[O-][N+](=O)c1ccc(cc1)N=Nc2ccccc2,[O-][N+](=O)c1ccc(cc1)N=Nc2ccccc2,InChI=1/C12H9N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,C12H9N3O2,,,,,,TZTDJBMGPQLSLI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.872,219-658-7,2491-90-9,"2,5-bis(4-chlorophenyl)-1,3,4-oxadiazole","2,5-bis(4-chlorophenyl)-1,3,4-oxadiazole",Clc1ccc(cc1)c2oc(nn2)c3ccc(Cl)cc3,Clc1ccc(cc1)c2oc(nn2)c3ccc(Cl)cc3,InChI=1/C14H8Cl2N2O/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H,C14H8Cl2N2O,,,,,,VZHHQRLWCMQJJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.873,219-659-2,2492-23-1,"[(2,4-dichlorophenyl)methyl]triphenylphosphonium chloride","(2,4-dichlorobenzyl)(triphenyl)phosphonium chloride",[Cl-].Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(Cl)c1,[Cl-].Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(Cl)c1,"InChI=1/C25H20Cl2P.ClH/c26-21-17-16-20(25(27)18-21)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1",C25H20Cl2P.Cl,,,,,,FWBSWSPGFNAXPP-UHFFFAOYSA-M,,,,,,,,,,,
100.019.377,221-314-6,3065-27-8,"2,4,5-trichlorophenyl 3-phenyl-N-[(phenylmethoxy)carbonyl]-L-alaninate","2,4,5-trichlorophenyl N-[(benzyloxy)carbonyl]-L-phenylalaninate",Clc1cc(Cl)c(OC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1Cl,Clc1cc(Cl)c(OC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1Cl,"InChI=1/C23H18Cl3NO4/c24-17-12-19(26)21(13-18(17)25)31-22(28)20(11-15-7-3-1-4-8-15)27-23(29)30-14-16-9-5-2-6-10-16/h1-10,12-13,20H,11,14H2,(H,27,29)",C23H18Cl3NO4,,,,,,DQUNNSOIEICROK-FQEVSTJZSA-N,,,,,,,,,,,
100.019.379,221-316-7,3065-71-2,"3-ethyl-2-[3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]-4,5-dihydrothiazolium iodide","3-ethyl-2-[3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].CCN2CCSC2=CC=CC=1SCC[N+]=1CC,[I-].CCN2CCSC2=CC=CC=1SCC[N+]=1CC,"InChI=1/C13H21N2S2.HI/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13;/h5-7H,3-4,8-11H2,1-2H3;1H/q+1;/p-1",C13H21N2S2.I,,,,,,GESKGLZQRFOWRW-UHFFFAOYSA-M,,,,,,,,,,,
100.019.382,221-319-3,3066-71-5,Cyclohexyl acrylate,cyclohexyl acrylate,C=CC(=O)OC1CCCCC1,C=CC(=O)OC1CCCCC1,"InChI=1/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2",C9H14O2,,,,,,KBLWLMPSVYBVDK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.384,221-321-4,3067-19-4,N-acetyl-DL-valine,N-acetyl-L-valine,CC(C)[C@H](NC(=O)C)C(O)=O,CC(C)[C@H](NC(=O)C)C(O)=O,"InChI=1/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)",C7H13NO3,,,,,,IHYJTAOFMMMOPX-LURJTMIESA-N,,,,,,,,,,,
100.019.387,221-325-6,3068-34-6,"2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranosyl chloride","2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-glucopyranosyl chloride",CC(=O)N[C@H]1[C@@H](Cl)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)N[C@H]1[C@@H](Cl)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)",C14H20ClNO8,,,,,,NAYYKQAWUWXLPD-KSTCHIGDSA-N,,,,,,,,,,,
100.019.389,221-327-7,3068-73-3,2-[[4-(dimethylamino)phenyl]azo]-3-methylbenzothiazolium chloride,"2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3-benzothiazol-3-ium chloride",[Cl-].CN(C)c1ccc(cc1)N=Nc3sc2ccccc2[n+]3C,[Cl-].CN(C)c1ccc(cc1)N=Nc3sc2ccccc2[n+]3C,"InChI=1/C16H17N4S.ClH/c1-19(2)13-10-8-12(9-11-13)17-18-16-20(3)14-6-4-5-7-15(14)21-16;/h4-11H,1-3H3;1H/q+1;/p-1",C16H17N4S.Cl,,,,,,VAFSCZKBDCHCEG-UHFFFAOYSA-M,,,,,,,,,,,
100.022.126,224-338-5,4316-73-8,Sodium sarcosinate,sodium (methylamino)acetate,[Na+].CNCC(=O)[O-],[Na+].CNCC(=O)[O-],"InChI=1/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1",C3H7NO2.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14429,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.126,ZUFONQSOSYEWCN-UHFFFAOYSA-M,,,,,,,,,,,
100.022.127,224-339-0,4316-74-9,Sodium N-methyltaurinate,sodium 2-(methylamino)ethanesulfonate,[Na+].CNCCS(=O)(=O)[O-],[Na+].CNCCS(=O)(=O)[O-],"InChI=1/C3H9NO3S.Na/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);/q;+1/p-1",C3H9NO3S.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11036,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.127,KKDONKAYVYTWGY-UHFFFAOYSA-M,,,,,,,,,,,
100.023.285,225-613-2,4971-43-1,1-vinylimidazolidin-2-one,1-vinylimidazolidin-2-one,C=CN1CCNC1=O,C=CN1CCNC1=O,"InChI=1/C5H8N2O/c1-2-7-4-3-6-5(7)8/h2H,1,3-4H2,(H,6,8)",C5H8N2O,,,,,,UNMSMHCTGCYBJM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.289,225-617-4,4971-56-6,ß-oxo-<U+03B3>-butyrolactone,"furan-2,4(3H,5H)-dione",O=C1COC(=O)C1,O=C1COC(=O)C1,InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2,C4H4O3,,,,,,JCGNDDUYTRNOFT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.299,225-628-4,4980-54-5,Zinc p-tert-butylbenzoate,zinc bis(4-tert-butylbenzoate),[Zn+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],[Zn+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],"InChI=1/2C11H14O2.Zn/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",C11H14O2.1/2Zn,,,,,,LYSLZRDZOBAUFL-UHFFFAOYSA-L,,,,,,,,,,,
100.023.301,225-631-0,4981-63-9,4'-chlorobutyrophenone,1-(4-chlorophenyl)butan-1-one,CCCC(=O)c1ccc(Cl)cc1,CCCC(=O)c1ccc(Cl)cc1,"InChI=1/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3",C10H11ClO,,,,,,XLCJPQYALLFIPW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.303,225-633-1,4983-38-4,"1-benzyl-4-pyrrolidin-1-ylpiperidine, dihydrochloride",1-benzyl-4-pyrrolidin-1-ylpiperidine dihydrochloride,Cl.Cl.C(N1CCC(CC1)N2CCCC2)c3ccccc3,Cl.Cl.C(N1CCC(CC1)N2CCCC2)c3ccccc3,"InChI=1/C16H24N2.2ClH/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18;;/h1-3,6-7,16H,4-5,8-14H2;2*1H",C16H24N2.2ClH,,,,,,GDZSQVAGVQBFQP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.306,225-636-8,4984-82-1,"Cyclopenta-2,4-dien-1-ylsodium","cyclopenta-2,4-dien-1-ylsodium",[Na]C1C=CC=C1,[Na]C1C=CC=C1,InChI=1/C5H5.Na/c1-2-4-5-3-1;/h1-5H;/rC5H5Na/c6-5-3-1-2-4-5/h1-5H,C5H5Na,,,,,,PDTZVKVFAJGNRV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.309,225-639-4,4985-25-5,"4-butyl-1,2-diphenylpyrazolidine-3,5-dione, compound with piperazine (1:1)","4-butyl-1,2-diphenylpyrazolidine-3,5-dione - piperazine (1:1)",CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.C4CNCCN4,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.C4CNCCN4,"InChI=1/C19H20N2O2.C4H10N2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-2-6-4-3-5-1/h4-13,17H,2-3,14H2,1H3;5-6H,1-4H2",C19H20N2O2.C4H10N2,,,,,,HWGAOXKGTHUMFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.315,225-646-2,4988-30-1,"Disodium 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,5-disulphonate","disodium 3-({2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].Nc4nc(Nc3cc(NC(C)=O)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4,[Na+].[Na+].Nc4nc(Nc3cc(NC(C)=O)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4,"InChI=1/C21H17ClN8O7S2.2Na/c1-10(31)24-16-8-11(25-21-27-19(22)26-20(23)28-21)5-6-15(16)30-29-12-7-14-13(18(9-12)39(35,36)37)3-2-4-17(14)38(32,33)34;;/h2-9H,1H3,(H,24,31)(H,32,33,34)(H,35,36,37)(H3,23,25,26,27,28);;/q;2*+1/p-2",C21H17ClN8O7S2.2Na,,,,,,DIGXDNVEYLOEOT-UHFFFAOYSA-L,,,,,,,,,,,
100.023.324,225-656-7,4995-91-9,Nickel(2+) octanoate,nickel(2+) dioctanoate,[Ni+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Ni+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Ni/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ni,,,,,,DVTHIMLUHWEZOM-UHFFFAOYSA-L,,,,,,,,,,,
100.023.326,225-658-8,4998-23-6,"4,4'-[(chloro-p-phenylene)bis(azo)]di-o-cresol","4,4'-[(2-chloro-1,4-phenylene)didiazene-2,1-diyl]bis(2-methylphenol)",Clc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cc(C)c(O)cc3,Clc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cc(C)c(O)cc3,"InChI=1/C20H17ClN4O2/c1-12-9-14(4-7-19(12)26)22-23-16-3-6-18(17(21)11-16)25-24-15-5-8-20(27)13(2)10-15/h3-11,26-27H,1-2H3",C20H17ClN4O2,,,,,,UVZYLHBBQONCRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.327,225-659-3,4998-38-3,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl acrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl acrylate",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C14H6F20O2/c1-2-4(35)36-3-6(17,18)8(21,22)10(25,26)12(29,30)14(33,34)13(31,32)11(27,28)9(23,24)7(19,20)5(15)16/h2,5H,1,3H2",C14H6F20O2,,,,,,ASJLMYWCUSHRIW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.096,217-705-6,1936-15-8,"Disodium 7-hydroxy-8-phenylazonaphthalene-1,3-disulphonate","disodium 7-hydroxy-8-(phenyldiazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O,"InChI=1/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H12N2O7S2.2Na,,,,,,HSXUHWZMNJHFRV-UHFFFAOYSA-L,,,,,,,,,,,
100.016.384,218-021-0,2039-77-2,Methyl 9-phenanthryl ketone,1-(9-phenanthryl)ethanone,CC(=O)c1cc2ccccc2c3ccccc13,CC(=O)c1cc2ccccc2c3ccccc13,"InChI=1/C16H12O/c1-11(17)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-10H,1H3",C16H12O,,,,,,UIFAWZBYTTXSOG-UHFFFAOYSA-N,Positive,SM817001,[M+H]+,HCD35,221.0962:179.0856:203.0856,CASMI_2016,,,,,
100.016.387,218-024-7,2039-85-2,m-chlorostyrene,1-chloro-3-vinylbenzene,Clc1cccc(C=C)c1,Clc1cccc(C=C)c1,"InChI=1/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2",C8H7Cl,,,,,,BOVQCIDBZXNFEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.391,218-028-9,2039-89-6,"2,5-dimethylstyrene","1,4-dimethyl-2-vinylbenzene",Cc1ccc(C)c(C=C)c1,Cc1ccc(C)c(C=C)c1,"InChI=1/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3",C10H12,,,,,,DBWWINQJTZYDFK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.397,218-035-7,3/05/2040,"1-(2,6-dichlorophenyl)ethan-1-one","1-(2,6-dichlorophenyl)ethanone",CC(=O)c1c(Cl)cccc1Cl,CC(=O)c1c(Cl)cccc1Cl,"InChI=1/C8H6Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3",C8H6Cl2O,,,,,,HYBDSXBLGCQKRE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.771,221-748-6,3221-61-2,2-methyloctane,2-methyloctane,CCCCCCC(C)C,CCCCCCC(C)C,"InChI=1/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3",C9H20,,,,,,ZUBZATZOEPUUQF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.773,221-750-7,3223-90-3,"1,4-dichloro-5-nitroanthraquinone","1,4-dichloro-5-nitro-9,10-anthraquinone",[O-][N+](=O)c1cccc2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c12,[O-][N+](=O)c1cccc2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c12,InChI=1/C14H5Cl2NO4/c15-7-4-5-8(16)12-11(7)13(18)6-2-1-3-9(17(20)21)10(6)14(12)19/h1-5H,C14H5Cl2NO4,,,,,,MXBSQEXFJJQOCG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.774,221-751-2,3223-94-7,"5-amino-1,4-dichloroanthraquinone","5-amino-1,4-dichloro-9,10-anthraquinone",Nc1cccc2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c12,Nc1cccc2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c12,"InChI=1/C14H7Cl2NO2/c15-7-4-5-8(16)12-11(7)13(18)6-2-1-3-9(17)10(6)14(12)19/h1-5H,17H2",C14H7Cl2NO2,,,,,,CNSNLRXGBRBCAU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.775,221-752-8,3223-95-8,"N-(5,8-dichloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide","N-(5,8-dichloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",Clc1ccc(Cl)c2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,Clc1ccc(Cl)c2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,"InChI=1/C21H11Cl2NO3/c22-13-9-10-14(23)18-17(13)19(25)12-7-4-8-15(16(12)20(18)26)24-21(27)11-5-2-1-3-6-11/h1-10H,(H,24,27)",C21H11Cl2NO3,,,,,,KOSPEFRTMNCAFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.785,221-763-8,3228-99-7,"1,3-dichloro-2,2-bis(chloromethyl)propane","1,3-dichloro-2,2-bis(chloromethyl)propane",ClCC(CCl)(CCl)CCl,ClCC(CCl)(CCl)CCl,"InChI=1/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2",C5H8Cl4,,,,,,KPZGRMZPZLOPBS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.788,221-766-4,3230-23-7,4-ethylpiperidine,4-ethylpiperidine,CCC1CCNCC1,CCC1CCNCC1,"InChI=1/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3",C7H15N,,,,,,KWHPWBXOLZTZMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.794,221-773-2,3232-36-8,(2-hydroxybenzylidene)salicylohydrazide,2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide,Oc2ccccc2C=NNC(=O)c1ccccc1O,Oc2ccccc2C=NNC(=O)c1ccccc1O,"InChI=1/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,17-18H,(H,16,19)",C14H12N2O3,,,,,,OMCYEZUIYGPHDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.796,221-775-3,3232-62-0,"Diallyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","diallyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",ClC1=C(Cl)C2(Cl)C(C(C(=O)OCC=C)C1(Cl)C2(Cl)Cl)C(=O)OCC=C,ClC1=C(Cl)C2(Cl)C(C(C(=O)OCC=C)C1(Cl)C2(Cl)Cl)C(=O)OCC=C,"InChI=1/C15H12Cl6O4/c1-3-5-24-11(22)7-8(12(23)25-6-4-2)14(19)10(17)9(16)13(7,18)15(14,20)21/h3-4,7-8H,1-2,5-6H2",C15H12Cl6O4,,,,,,CJKWEXMFQPNNTL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.797,221-776-9,3232-84-6,"1,2,4-triazole-3,5-diol","4H-1,2,4-triazole-3,5-diol",Oc1nc(O)nn1,Oc1nc(O)nn1,"InChI=1/C2H3N3O2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)",C2H3N3O2,,,,,,UDATXMIGEVPXTR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.799,221-779-5,4/02/3234,"2,3-dibromo-2-butene-1,4-diol","2,3-dibromobut-2-ene-1,4-diol",BrC(CO)=C(Br)CO,BrC(CO)=C(Br)CO,"InChI=1/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2",C4H6Br2O2,,,,,,MELXIJRBKWTTJH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.800,221-780-0,3234-26-2,2-methyl-3-pentyloxirane,2-methyl-3-pentyloxirane,CCCCCC1OC1C,CCCCCC1OC1C,"InChI=1/C8H16O/c1-3-4-5-6-8-7(2)9-8/h7-8H,3-6H2,1-2H3",C8H16O,,,,,,SNAUWGUVQBOHMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.813,221-794-7,3236-63-3,"2,2'-methylenedi-p-cresol","2,2'-methylenebis(4-methylphenol)",Cc1ccc(O)c(Cc2cc(C)ccc2O)c1,Cc1ccc(O)c(Cc2cc(C)ccc2O)c1,"InChI=1/C15H16O2/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17/h3-8,16-17H,9H2,1-2H3",C15H16O2,,,,,,XZXYQEHISUMZAT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.814,221-795-2,3236-82-6,Niobium(5+) ethanolate,niobium(5+) pentaethanolate,[Nb+5].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-],[Nb+5].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-],"InChI=1/5C2H5O.Nb/c5*1-2-3;/h5*2H2,1H3;/q5*-1;+5",C2H6O.1/5Nb,,,,,,ZTILUDNICMILKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.933,227-426-1,5839-39-4,"10,10'-(1,2-ethanediylidene)bis[2-chloroanthracen-9(10H)-one]","10,10'-ethane-1,2-diylidenebis(2-chloroanthracen-9(10H)-one)",Clc5cc6C(=O)c1ccccc1C(=CC=C4c2ccccc2C(=O)c3cc(Cl)ccc34)c6cc5,Clc5cc6C(=O)c1ccccc1C(=CC=C4c2ccccc2C(=O)c3cc(Cl)ccc34)c6cc5,InChI=1/C30H16Cl2O2/c31-17-9-11-23-21(19-5-1-3-7-25(19)29(33)27(23)15-17)13-14-22-20-6-2-4-8-26(20)30(34)28-16-18(32)10-12-24(22)28/h1-16H,C30H16Cl2O2,,,,,,KWZGLPQTVVGILR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.518,231-369-8,7515-73-3,"4-(chlorophenylmethyl)-1,1'-biphenyl",4-[chloro(phenyl)methyl]biphenyl,ClC(c1ccccc1)c2ccc(cc2)c3ccccc3,ClC(c1ccccc1)c2ccc(cc2)c3ccccc3,"InChI=1/C19H15Cl/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19H",C19H15Cl,,,,,,HSVIAUJGCMPSQO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.529,231-381-3,7521-80-4,Butyltrichlorosilane,butyl(trichloro)silane,CCCC[Si](Cl)(Cl)Cl,CCCC[Si](Cl)(Cl)Cl,"InChI=1/C4H9Cl3Si/c1-2-3-4-8(5,6)7/h2-4H2,1H3",C4H9Cl3Si,,,,,,FQEKAFQSVPLXON-UHFFFAOYSA-N,,,,,,,,,,,
100.028.532,231-385-5,7524-52-9,Methyl L-tryptophanate monohydrochloride,methyl L-tryptophanate hydrochloride,Cl.COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,Cl.COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,"InChI=1/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H",C12H14N2O2.ClH,,,,,,XNFNGGQRDXFYMM-PPHPATTJSA-N,,,,,,,,,,,
100.028.533,231-386-0,7525-62-4,3-ethylstyrene,1-ethyl-3-vinylbenzene,CCc1cccc(C=C)c1,CCc1cccc(C=C)c1,"InChI=1/C10H12/c1-3-9-6-5-7-10(4-2)8-9/h3,5-8H,1,4H2,2H3",C10H12,,,,,,XHUZSRRCICJJCN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.537,231-390-2,7529-08-0,Dibutyl mercaptosuccinate,dibutyl 2-sulfanylsuccinate,CCCCOC(=O)CC(S)C(=O)OCCCC,CCCCOC(=O)CC(S)C(=O)OCCCC,"InChI=1/C12H22O4S/c1-3-5-7-15-11(13)9-10(17)12(14)16-8-6-4-2/h10,17H,3-9H2,1-2H3",C12H22O4S,,,,,,CEAVWKAXWLZMFB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.540,231-393-9,7529-94-4,Ammonium octadecyl hydrogen phosphate,ammonium octadecyl hydrogen phosphate,[NH4+].CCCCCCCCCCCCCCCCCCOP(=O)(O)[O-],[NH4+].CCCCCCCCCCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C18H39O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H2,19,20,21);1H3",C18H39O4P.H3N,,,,,,HMRDIGSAADRGQE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.541,231-394-4,7530-27-0,4-bromo-6-chloro-o-cresol,4-bromo-2-chloro-6-methylphenol,Cc1cc(Br)cc(Cl)c1O,Cc1cc(Br)cc(Cl)c1O,"InChI=1/C7H6BrClO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3",C7H6BrClO,,,,,,IDDUDPYBPXKGCP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.546,231-400-5,7533-40-6,(S)-2-amino-4-methylpentan-1-ol,2-amino-4-methylpentan-1-ol,CC(C)C[C@H](N)CO,CC(C)C[C@H](N)CO,"InChI=1/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3",C6H15NO,,,,,,VPSSPAXIFBTOHY-LURJTMIESA-N,,,,,,,,,,,
100.028.547,231-401-0,7534-64-7,"2,6-dichlorobenzyl thiocyanate","2,6-dichlorobenzyl thiocyanate",Clc1cccc(Cl)c1CSC#N,Clc1cccc(Cl)c1CSC#N,"InChI=1/C8H5Cl2NS/c9-7-2-1-3-8(10)6(7)4-12-5-11/h1-3H,4H2",C8H5Cl2NS,,,,,,IBWINXSTXHFYMY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.549,231-403-1,7534-94-3,"Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methacrylate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methacrylate",CC(=C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CC(=C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3",C14H22O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13730,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.549,IAXXETNIOYFMLW-COPLHBTASA-N,,,,,,,,,,,
100.028.551,231-405-2,7536-55-2,N2-[(tert-butoxy)carbonyl]-L-asparagine,N~2~-(tert-butoxycarbonyl)-L-asparagine,CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)O,"InChI=1/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)",C9H16N2O5,,,,,,FYYSQDHBALBGHX-YFKPBYRVSA-N,,,,,,,,,,,
100.028.555,231-409-4,7538-45-6,2-(trimethoxysilyl)ethanethiol,2-(trimethoxysilyl)ethanethiol,CO[Si](CCS)(OC)OC,CO[Si](CCS)(OC)OC,"InChI=1/C5H14O3SSi/c1-6-10(7-2,8-3)5-4-9/h9H,4-5H2,1-3H3",C5H14O3SSi,,,,,,LOSLJXKHQKRRFN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.559,231-414-1,7539-58-4,Tris[2-(dicyclohexylamino)ethyl] borate,tris[2-(dicyclohexylamino)ethyl] borate,C(CN(C1CCCCC1)C2CCCCC2)OB(OCCN(C3CCCCC3)C4CCCCC4)OCCN(C5CCCCC5)C6CCCCC6,C(CN(C1CCCCC1)C2CCCCC2)OB(OCCN(C3CCCCC3)C4CCCCC4)OCCN(C5CCCCC5)C6CCCCC6,"InChI=1/C42H78BN3O3/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)31-34-47-43(48-35-32-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)49-36-33-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h37-42H,1-36H2",C42H78BN3O3,,,,,,CLLRNFFLFVAFFV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.132,230-945-6,7379-30-8,"1,1-bis(methylthio)ethane","1,1-bis(methylsulfanyl)ethane",CSC(C)SC,CSC(C)SC,"InChI=1/C4H10S2/c1-4(5-2)6-3/h4H,1-3H3",C4H10S2,,,,,,MEZARKNHCDZUJN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.159,230-974-4,7390-62-7,"6-amino-1,7-dihydro-8H-purine-8-thione","6-amino-1,7-dihydro-8H-purine-8-thione",NC1=C2NC(=S)N=C2N=CN1,NC1=C2NC(=S)N=C2N=CN1,"InChI=1/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)",C5H5N5S,,,,,,BHVOFCPOXNYVCE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.168,230-984-9,7392-62-3,"2,2',4-trihydroxy-4'-methoxybenzophenone","(2,4-dihydroxyphenyl)(2-hydroxy-4-methoxyphenyl)methanone",COc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1,COc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1,"InChI=1/C14H12O5/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,15-17H,1H3",C14H12O5,,,,,,YLQYOUPUVFQNLO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.392,221-330-3,3068-88-0,4-methyloxetan-2-one,4-methyloxetan-2-one,CC1CC(=O)O1,CC1CC(=O)O1,"InChI=1/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3",C4H6O2,,,,,,GSCLMSFRWBPUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.397,221-336-6,3069-29-2,N-[3-(dimethoxymethylsilyl)propyl]ethylenediamine,"N-{3-[(dimethoxymethyl)silyl]propyl}ethane-1,2-diamine",COC(OC)[SiH2]CCCNCCN,COC(OC)[SiH2]CCCNCCN,"InChI=1/C8H22N2O2Si/c1-11-8(12-2)13-7-3-5-10-6-4-9/h8,10H,3-7,9,13H2,1-2H3",C8H22N2O2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14758,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.397,XFFPIAQRIDTSIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.399,221-338-7,3069-40-7,Trimethoxyoctylsilane,trimethoxy(octyl)silane,CCCCCCCC[Si](OC)(OC)OC,CCCCCCCC[Si](OC)(OC)OC,"InChI=1/C11H26O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5-11H2,1-4H3",C11H26O3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5888,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.399,NMEPHPOFYLLFTK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.404,221-343-4,3071-73-6,Disodium 8-(phenylamino)-5-[[4-[(5-sulphonatonaphthyl)azo]naphthyl]azo]naphthalenesulphonate,disodium 8-anilino-5-({4-[(5-sulfonato-1-naphthyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c7cccc6c7cccc6N=Nc5ccc(N=Nc3ccc(Nc1ccccc1)c2c(cccc23)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c7cccc6c7cccc6N=Nc5ccc(N=Nc3ccc(Nc1ccccc1)c2c(cccc23)S([O-])(=O)=O)c4ccccc45,"InChI=1/C36H25N5O6S2.2Na/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47;;/h1-22,37H,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C36H25N5O6S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17494,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.404,OLPWJTQWWFWEFS-UHFFFAOYSA-L,,,,,,,,,,,
100.019.406,221-346-0,3072-84-2,"2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bisoxirane","2,2'-{propane-2,2-diylbis[(2,6-dibromo-4,1-phenylene)oxymethylene]}dioxirane",CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c3cc(Br)c(OCC4CO4)c(Br)c3,CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c3cc(Br)c(OCC4CO4)c(Br)c3,"InChI=1/C21H20Br4O4/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14/h3-6,13-14H,7-10H2,1-2H3",C21H20Br4O4,,,,,,ZJRAAAWYHORFHN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.407,221-347-6,3073-66-3,"1,1,3-trimethylcyclohexane","1,1,3-trimethylcyclohexane",CC1CCCC(C)(C)C1,CC1CCCC(C)(C)C1,"InChI=1/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3",C9H18,,,,,,PYOLJOJPIPCRDP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.348,223-482-6,3917-15-5,Allyl vinyl ether,3-(vinyloxy)prop-1-ene,C=CCOC=C,C=CCOC=C,"InChI=1/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",C5H8O,,,,,,ZXABMDQSAABDMG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.349,223-483-1,3917-59-7,"[1R-(1a,3a,5a)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol","6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol",CC1(C)C2CC(O)C(=C)C1C2,CC1(C)C2CC(O)C(=C)C1C2,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3",C10H16O,,,,,,LCYXQUJDODZYIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.351,223-485-2,3918-73-8,1-(2-hydroxy-3-sulphonatopropyl)pyridinium,2-hydroxy-3-pyridinium-1-ylpropane-1-sulfonate,OC(C[n+]1ccccc1)CS(=O)(=O)[O-],OC(C[n+]1ccccc1)CS(=O)(=O)[O-],"InChI=1/C8H11NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2",C8H11NO4S,,,,,,RJPRZHQPROLZRW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.354,223-488-9,5/12/3920,1-amino-3-chloropropan-2-ol,1-amino-3-chloropropan-2-ol,NCC(O)CCl,NCC(O)CCl,"InChI=1/C3H8ClNO/c4-1-3(6)2-5/h3,6H,1-2,5H2",C3H8ClNO,,,,,,CYJBWQFWXJKKMS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.361,223-496-2,3923-79-3,"4,5-dihydroxy-1,3-dimethylimidazolidin-2-one","4,5-dihydroxy-1,3-dimethylimidazolidin-2-one",CN1C(O)C(O)N(C)C1=O,CN1C(O)C(O)N(C)C1=O,"InChI=1/C5H10N2O3/c1-6-3(8)4(9)7(2)5(6)10/h3-4,8-9H,1-2H3",C5H10N2O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13727,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.361,LGJMYGMNWHYGCB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.363,223-498-3,3926-62-3,Sodium chloroacetate,sodium chloroacetate,[Na+].[O-]C(=O)CCl,[Na+].[O-]C(=O)CCl,"InChI=1/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",C2H3ClO2.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2018,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.363,FDRCDNZGSXJAFP-UHFFFAOYSA-M,,,,,,,,,,,
100.021.366,223-501-8,3930-19-6,Rufocromomycin,"5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid",COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O,COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O,"InChI=1/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)",C25H22N4O8,,,,,,PVYJZLYGTZKPJE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.367,223-502-3,3931-89-3,Thiophosphoryl tribromide,phosphorothioic tribromide,BrP(=S)(Br)Br,BrP(=S)(Br)Br,"InChI=1/Br3PS/c1-4(2,3)5",Br3PS,,,,,,OWNZHTHZRZVKSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.369,223-504-4,3933-94-6,"4-phenoxy-1,1'-biphenyl",4-phenoxybiphenyl,O(c1ccccc1)c2ccc(cc2)c3ccccc3,O(c1ccccc1)c2ccc(cc2)c3ccccc3,InChI=1/C18H14O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14H,C18H14O,,,,,,GPOYJVWXGJBMOK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.378,218-014-2,2039-46-5,Dimethylammonium 4-chloro-o-tolyloxyacetate,N-methylmethanaminium (4-chloro-2-methylphenoxy)acetate,C[NH2+]C.Cc1cc(Cl)ccc1OCC(=O)[O-],C[NH2+]C.Cc1cc(Cl)ccc1OCC(=O)[O-],"InChI=1/C9H9ClO3.C2H7N/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;1-3-2/h2-4H,5H2,1H3,(H,11,12);3H,1-2H3",C9H9ClO3.C2H7N,,,,,,PKAUICCNAWQPAU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.104,217-714-5,1937-63-9,Methyl (Z)-octadec-11-enoate,methyl octadec-11-enoate,CCCCCC\\C=C/CCCCCCCCCC(=O)OC,CCCCCC\C=C/CCCCCCCCCC(=O)OC,"InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3",C19H36O2,,,,,,PVVODBCDJBGMJL-HJWRWDBZSA-N,,,,,,,,,,,
100.016.110,217-720-8,1940-43-8,"2,2'-methylenebis(4,6-dichlorophenol)","2,2'-methylenebis(4,6-dichlorophenol)",Oc1c(Cl)cc(Cl)cc1Cc2cc(Cl)cc(Cl)c2O,Oc1c(Cl)cc(Cl)cc1Cc2cc(Cl)cc(Cl)c2O,"InChI=1/C13H8Cl4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2",C13H8Cl4O2,,,,,,PKKDWPSOOQBWFB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.118,217-729-7,1941-79-3,Diperoxyazelaic acid,nonanediperoxoic acid,OOC(=O)CCCCCCCC(=O)OO,OOC(=O)CCCCCCCC(=O)OO,"InChI=1/C9H16O6/c10-8(14-12)6-4-2-1-3-5-7-9(11)15-13/h12-13H,1-7H2",C9H16O6,,,,,,SXLLDUPXUVRMEE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.120,217-731-8,1942-52-5,Diethyl-2-mercaptoethylammonium chloride,"N,N-diethyl-2-sulfanylethanaminium chloride",[Cl-].CC[NH+](CC)CCS,[Cl-].CC[NH+](CC)CCS,"InChI=1/C6H15NS.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H",C6H15NS.ClH,,,,,,QAXLTZBBDSDRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.000,223-099-4,3734-95-0,Cyanthoate,"S-{2-[(1-cyano-1-methylethyl)amino]-2-oxoethyl} O,O-diethyl thiophosphate",CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N,CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N,"InChI=1/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)",C10H19N2O4PS,,,,,,TWDJIKFUVRYBJF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.005,223-105-5,3735-92-0,Methyl dimethyldithiocarbamate,methyl dimethyldithiocarbamate,CSC(=S)N(C)C,CSC(=S)N(C)C,InChI=1/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3,C4H9NS2,,,,,,NBBZMDUHKWRYSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.011,223-111-8,3737-33-5,"2-ethyl-N,N,ß-trimethyl-10H-phenothiazine-10-propylamine monohydrochloride","3-(2-ethyl-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine",CCc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,CCc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,"InChI=1/C20H26N2S/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-21(3)4)17-8-6-7-9-19(17)23-20/h6-12,15H,5,13-14H2,1-4H3",C20H26N2S.ClH,,,,,,USKHCLAXJXCWMO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.328,217-959-8,2018-61-3,N-acetyl-3-phenyl-L-alanine,N-acetyl-L-phenylalanine,CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,CC(=O)N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)",C11H13NO3,,,,,,CBQJSKKFNMDLON-JTQLQIEISA-N,,,,,,,,,,,
100.016.330,217-961-9,2019-14-9,[2-[hydroxydiphenylacetoxy]ethyl]dimethyloctylammonium bromide,"N-{2-[2-hydroxy(diphenyl)acetoxy]ethyl}-N,N-dimethyloctan-1-aminium bromide",[Br-].CCCCCCCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,[Br-].CCCCCCCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C26H38NO3.BrH/c1-4-5-6-7-8-15-20-27(2,3)21-22-30-25(28)26(29,23-16-11-9-12-17-23)24-18-13-10-14-19-24;/h9-14,16-19,29H,4-8,15,20-22H2,1-3H3;1H/q+1;/p-1",C26H38NO3.Br,,,,,,JVFBRWHIOQXBFW-UHFFFAOYSA-M,,,,,,,,,,,
100.016.331,217-962-4,2019-25-2,"N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine monohydrochloride","N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine hydrochloride",Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,Cl.Nc1ncnc(Nc2ccc(Cl)cc2)n1,"InChI=1/C9H8ClN5.ClH/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9;/h1-5H,(H3,11,12,13,14,15);1H",C9H8ClN5.ClH,,,,,,UYCMHUVQSSDLAM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.333,217-965-0,2021-21-8,"1,2,3,6-tetrahydro-N-methylphthalimide","2-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",CN1C(=O)C2CC=CCC2C1=O,CN1C(=O)C2CC=CCC2C1=O,"InChI=1/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-3,6-7H,4-5H2,1H3",C9H11NO2,,,,,,UAFTWHXBZBAYKV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.342,217-975-5,2026-48-4,L-2-amino-3-methylbutan-1-ol,2-amino-3-methylbutan-1-ol,CC(C)C(N)CO,CC(C)C(N)CO,"InChI=1/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3",C5H13NO,,,,,,NWYYWIJOWOLJNR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.347,217-980-2,2030-63-9,Clofazimine,"N,5-bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydrophenazin-2-amine",CC(C)N=C2/C=C3/N(c4ccccc4\\N=C3\\C=C2\\Nc1ccc(Cl)cc1)c5ccc(Cl)cc5,CC(C)N=C2/C=C3/N(c4ccccc4\N=C3\C=C2\Nc1ccc(Cl)cc1)c5ccc(Cl)cc5,"InChI=1/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3",C27H22Cl2N4,,,,,,WDQPAMHFFCXSNU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.349,217-982-3,2031-62-1,Diethoxy(methyl)silane,diethoxy(methyl)silane,CCO[SiH](C)OCC,CCO[SiH](C)OCC,"InChI=1/C5H14O2Si/c1-4-6-8(3)7-5-2/h8H,4-5H2,1-3H3",C5H14O2Si,,,,,,SOGIFFQYRAXTDR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.361,217-995-4,2033-89-8,"3,4-dimethoxyphenol","3,4-dimethoxyphenol",COc1ccc(O)cc1OC,COc1ccc(O)cc1OC,"InChI=1/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3",C8H10O3,,,,,,SMFFZOQLHYIRDA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.363,217-998-0,2034-94-8,Testosterone 3-cyclohexylpropionate,3-oxoandrost-4-en-17-yl 3-cyclohexylpropanoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC5CCCCC5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC5CCCCC5,"InChI=1/C28H42O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h18-19,22-25H,3-17H2,1-2H3",C28H42O3,,,,,,HFFZTSFKTLANED-FEZCWRLCSA-N,,,,,,,,,,,
100.019.816,221-797-3,3237-62-5,"5,6-dichloro-1-ethyl-2-methyl-1H-benzimidazole","5,6-dichloro-1-ethyl-2-methyl-1H-benzimidazole",CCn1c(C)nc2cc(Cl)c(Cl)cc12,CCn1c(C)nc2cc(Cl)c(Cl)cc12,"InChI=1/C10H10Cl2N2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3",C10H10Cl2N2,,,,,,IVVLMQPTQOLYDX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.818,221-799-4,3238-38-8,"2,3,4,6-tetramethylphenol","2,3,4,6-tetramethylphenol",Cc1cc(C)c(O)c(C)c1C,Cc1cc(C)c(O)c(C)c1C,"InChI=1/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H3",C10H14O,,,,,,WEJVHFVGNQBRGH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.619,217-180-3,1763-28-6,"4,4,4-trifluoro-3-(trifluoromethyl)crotonic acid","4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoic acid",OC(=O)C=C(C(F)(F)F)C(F)(F)F,OC(=O)C=C(C(F)(F)F)C(F)(F)F,"InChI=1/C5H2F6O2/c6-4(7,8)2(1-3(12)13)5(9,10)11/h1H,(H,12,13)",C5H2F6O2,,,,,,ZSBJCNVMTCMOBW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.621,217-182-4,1765-40-8,"Alpha-bromo-2,3,4,5,6-pentafluorotoluene","1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene",Fc1c(F)c(F)c(CBr)c(F)c1F,Fc1c(F)c(F)c(CBr)c(F)c1F,InChI=1/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2,C7H2BrF5,,,,,,XDEPVFFKOVDUNO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.750,217-325-0,1812-53-9,Dihexadecyldimethylammonium chloride,"N-hexadecyl-N,N-dimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC,"InChI=1/C34H72N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1",C34H72N.Cl,,,,,,ZCPCLAPUXMZUCD-UHFFFAOYSA-M,,,,,,,,,,,
100.015.756,217-331-3,1817-90-9,(2-ethoxyethyl)benzene,(2-ethoxyethyl)benzene,CCOCCc1ccccc1,CCOCCc1ccccc1,"InChI=1/C10H14O/c1-2-11-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C10H14O,,,,,,YLQUZJVSFHZOBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.766,217-342-3,1821-16-5,"3,3'-ethylidenebis[4-hydroxy-2-benzopyrone]","3,3'-ethane-1,1-diylbis(4-hydroxy-2H-chromen-2-one)",CC(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O,CC(C1=C(O)c2ccccc2OC1=O)C3=C(O)c4ccccc4OC3=O,"InChI=1/C20H14O6/c1-10(15-17(21)11-6-2-4-8-13(11)25-19(15)23)16-18(22)12-7-3-5-9-14(12)26-20(16)24/h2-10,21-22H,1H3",C20H14O6,,,,,,CPDOMNNHJSTWKL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.775,217-352-8,1823-14-9,Pent-4-ynylbenzene,pent-4-yn-1-ylbenzene,C#CCCCc1ccccc1,C#CCCCc1ccccc1,"InChI=1/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,3,5,8H2",C11H12,,,,,,KOSORCNALVBYBP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.777,217-354-9,1823-91-2,2-phenylpropiononitrile,hydratroponitrile,CC(C#N)c1ccccc1,CC(C#N)c1ccccc1,"InChI=1/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3",C9H9N,,,,,,NVAOLENBKNECGF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.784,217-362-2,1825-00-9,Methyl ß-L-arabinopyranoside,methyl beta-L-arabinopyranoside,CO[C@H]1OC[C@H](O)[C@H](O)[C@H]1O,CO[C@H]1OC[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3",C6H12O5,,,,,,ZBDGHWFPLXXWRD-AZGQCCRYSA-N,,,,,,,,,,,
100.019.413,221-353-9,3076-25-3,Sodium isopropyl 2-sulphooctadecanoate,-,[Na+].CCCCCCCCCCCCCCCCC(C(=O)OC(C)C)S(=O)(=O)O,[Na+].CCCCCCCCCCCCCCCCC(C(=O)OC(C)C)S(=O)(=O)O,"InChI=1/C21H42O5S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(27(23,24)25)21(22)26-19(2)3;/h19-20H,4-18H2,1-3H3,(H,23,24,25);/q;+1",C21H42O5S.Na,,,,,,PGWZYVPSGZRFNA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.416,221-357-0,3076-87-7,"N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[4-methoxybenzamide]","N,N'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(4-methoxybenzamide)",COc1ccc(cc1)C(=O)Nc2ccc(O)c3C(=O)c4c(NC(=O)c5ccc(OC)cc5)ccc(O)c4C(=O)c23,COc1ccc(cc1)C(=O)Nc2ccc(O)c3C(=O)c4c(NC(=O)c5ccc(OC)cc5)ccc(O)c4C(=O)c23,"InChI=1/C30H22N2O8/c1-39-17-7-3-15(4-8-17)29(37)31-19-11-13-21(33)25-23(19)27(35)26-22(34)14-12-20(24(26)28(25)36)32-30(38)16-5-9-18(40-2)10-6-16/h3-14,33-34H,1-2H3,(H,31,37)(H,32,38)",C30H22N2O8,,,,,,CWTAJVLVXTWHMD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.417,221-358-6,3076-91-3,Chloro[p-[(2-hydroxy-1-naphthyl)azo]phenyl]mercury,chloro{4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}mercury,Oc1ccc2ccccc2c1N=Nc3ccc([Hg]Cl)cc3,Oc1ccc2ccccc2c1N=Nc3ccc([Hg]Cl)cc3,"InChI=1/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1/rC16H11ClHgN2O/c17-18-12-6-8-13(9-7-12)19-20-16-14-4-2-1-3-11(14)5-10-15(16)21/h1-10,21H",C16H11ClHgN2O,,,,,,CDEIGFNQWMSEKG-UHFFFAOYSA-M,,,,,,,,,,,
100.019.420,221-361-2,3077-27-8,4-(octadecylamino)-4-oxoisocrotonic acid,4-(octadecylamino)-4-oxobut-2-enoic acid,CCCCCCCCCCCCCCCCCCNC(=O)\\C=C/C(=O)O,CCCCCCCCCCCCCCCCCCNC(=O)\C=C/C(=O)O,"InChI=1/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26/h18-19H,2-17,20H2,1H3,(H,23,24)(H,25,26)",C22H41NO3,,,,,,NWODYZCQADERLP-HNENSFHCSA-N,,,,,,,,,,,
100.019.421,221-362-8,3077-30-3,"N,N-bis(2-hydroxyethyl)octanamide","N,N-bis(2-hydroxyethyl)octanamide",CCCCCCCC(=O)N(CCO)CCO,CCCCCCCC(=O)N(CCO)CCO,"InChI=1/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3",C12H25NO3,,,,,,FZQAYFWUOCXLKJ-UHFFFAOYSA-N,Positive,LIT00010,,,106:88:214,Literature_Specs,,,,,
100.019.423,221-364-9,3077-46-1,N-acetyl-L-isoleucine,N-acetyl-L-isoleucine,CCC(C)[C@H](NC(=O)C)C(=O)O,CCC(C)[C@H](NC(=O)C)C(=O)O,"InChI=1/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)",C8H15NO3,,,,,,JDTWZSUNGHMMJM-MSZQBOFLSA-N,,,,,,,,,,,
100.028.171,230-988-0,7393-45-5,Chlorocyclopropane,chlorocyclopropane,ClC1CC1,ClC1CC1,"InChI=1/C3H5Cl/c4-3-1-2-3/h3H,1-2H2",C3H5Cl,,,,,,VEZNCHDBSQWUHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.348,227-883-7,6025-18-9,7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-2-benzopyrone,7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-2H-chromen-2-one,Cc1ccn(n1)c2ccc3C=C(C(=O)Oc3c2)c4ccccc4,Cc1ccn(n1)c2ccc3C=C(C(=O)Oc3c2)c4ccccc4,"InChI=1/C19H14N2O2/c1-13-9-10-21(20-13)16-8-7-15-11-17(14-5-3-2-4-6-14)19(22)23-18(15)12-16/h2-12H,1H3",C19H14N2O2,,,,,,HATLMHBLUAELGS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.349,227-884-2,6025-60-1,2-(1H-pyrrol-1-yl)aniline,2-(1H-pyrrol-1-yl)aniline,Nc1ccccc1n2cccc2,Nc1ccccc1n2cccc2,"InChI=1/C10H10N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,11H2",C10H10N2,,,,,,GDMZHPUPLWQIBD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.353,227-888-4,6027-00-5,2-[(p-methoxy-a-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride,"2-[(4-methoxyphenyl)(phenyl)methoxy]-N,N-dimethylethanaminium chloride",[Cl-].COc1ccc(cc1)C(OCC[NH+](C)C)c2ccccc2,[Cl-].COc1ccc(cc1)C(OCC[NH+](C)C)c2ccccc2,"InChI=1/C18H23NO2.ClH/c1-19(2)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16;/h4-12,18H,13-14H2,1-3H3;1H",C18H23NO2.ClH,,,,,,ZLOMYDCFJHNHGM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.354,227-890-5,7/02/6027,L-histidine dihydrochloride,L-histidine dihydrochloride,Cl.Cl.N[C@@H](Cc1c[nH]cn1)C(=O)O,Cl.Cl.N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.2ClH/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2*1H",C6H9N3O2.2ClH,,,,,,XEJCDBUNISUVGZ-XRIGFGBMSA-N,,,,,,,,,,,
100.025.356,227-892-6,6027-23-2,4-[2-(dimethylamino)ethyl]phenol hydrochloride,4-[2-(dimethylamino)ethyl]phenol hydrochloride,Cl.CN(C)CCc1ccc(O)cc1,Cl.CN(C)CCc1ccc(O)cc1,"InChI=1/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H",C10H15NO.ClH,,,,,,KIZRJFIRFPIRFS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.357,227-893-1,6027-28-7,2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide monohydrochloride,N~2~-butyl-N-(2-chloro-6-methylphenyl)glycinamide hydrochloride,Cl.CCCCNCC(=O)Nc1c(C)cccc1Cl,Cl.CCCCNCC(=O)Nc1c(C)cccc1Cl,"InChI=1/C13H19ClN2O.ClH/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H",C13H19ClN2O.ClH,,,,,,WROUIBGUWODUPA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.363,227-899-4,6028-46-2,"O,O-dicyclohexyl hydrogen dithiophosphate","O,O-dicyclohexyl hydrogen dithiophosphate",SP(=S)(OC1CCCCC1)OC2CCCCC2,SP(=S)(OC1CCCCC1)OC2CCCCC2,"InChI=1/C12H23O2PS2/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,17)",C12H23O2PS2,,,,,,IWHTZOQGVGHYQT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.367,227-903-4,6028-61-1,Dipropyl trisulphide,dipropyltrisulfane,CCCSSSCCC,CCCSSSCCC,"InChI=1/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3",C6H14S3,,,,,,GAZXPZNJTZIGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.005,229-704-8,6665-83-4,6-hydroxy-2-phenyl-4-benzopyrone,6-hydroxy-2-phenyl-4H-chromen-4-one,Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3,Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3,"InChI=1/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H",C15H10O3,,,,,,GPZYYYGYCRFPBU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.006,229-705-3,6665-86-7,7-hydroxy-2-phenyl-4-benzopyrone,7-hydroxy-2-phenyl-4H-chromen-4-one,Oc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,Oc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,"InChI=1/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H",C15H10O3,,,,,,MQGPSCMMNJKMHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.012,229-712-1,6673-35-4,Practolol,N-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide,CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,"InChI=1/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)",C14H22N2O3,,,,,,DURULFYMVIFBIR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.937,227-430-3,5840-77-7,"4-[2-(methylthio)ethyl]oxazolidine-2,5-dione","4-[2-(methylsulfanyl)ethyl]-1,3-oxazolidine-2,5-dione",CSCCC1NC(=O)OC1=O,CSCCC1NC(=O)OC1=O,"InChI=1/C6H9NO3S/c1-11-3-2-4-5(8)10-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)",C6H9NO3S,,,,,,HIHFRAZOZMTUMG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.939,227-432-4,5842-53-5,"2,2,4-trimethylpent-3-en-1-ol","2,2,4-trimethylpent-3-en-1-ol",CC(=CC(C)(C)CO)C,CC(=CC(C)(C)CO)C,"InChI=1/C8H16O/c1-7(2)5-8(3,4)6-9/h5,9H,6H2,1-4H3",C8H16O,,,,,,BIIWBYUXAOCDCC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.942,227-436-6,9/01/5844,"4,6-bis(phenylazo)-o-cresol","2-methyl-4,6-bis(phenyldiazenyl)phenol",Oc2c(C)cc(cc2N=Nc1ccccc1)N=Nc3ccccc3,Oc2c(C)cc(cc2N=Nc1ccccc1)N=Nc3ccccc3,"InChI=1/C19H16N4O/c1-14-12-17(22-20-15-8-4-2-5-9-15)13-18(19(14)24)23-21-16-10-6-3-7-11-16/h2-13,24H,1H3",C19H16N4O,,,,,,RPZZLBYXHLWEOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.389,218-026-8,2039-87-4,o-chlorostyrene,1-chloro-2-vinylbenzene,Clc1ccccc1C=C,Clc1ccccc1C=C,"InChI=1/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2",C8H7Cl,,,,,,ISRGONDNXBCDBM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.394,218-032-0,2040-00-8,Diethylaluminium iodide,diethylaluminum(1+) iodide,[I-].CC[Al+]CC,[I-].CC[Al+]CC,"InChI=1/2C2H5.Al.HI/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1/rC4H10Al.HI/c1-3-5-4-2;/h3-4H2,1-2H3;1H/q+1;/p-1",C4H10AlI,,,,,,PPQUYYAZSOKTQD-UHFFFAOYSA-M,,,,,,,,,,,
100.016.396,218-034-1,2/04/2040,"1-(2,6-dimethoxyphenyl)ethan-1-one","1-(2,6-dimethoxyphenyl)ethanone",COc1cccc(OC)c1C(=O)C,COc1cccc(OC)c1C(=O)C,"InChI=1/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3",C10H12O3,,,,,,XEUGKOFTNAYMMX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.398,218-036-2,5/07/2040,"1-(2,4,5-trimethylphenyl)ethan-1-one","1-(2,4,5-trimethylphenyl)ethanone",CC(=O)c1cc(C)c(C)cc1C,CC(=O)c1cc(C)c(C)cc1C,"InChI=1/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3",C11H14O,,,,,,GENBEGZNCBFHSU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.776,221-753-3,3224-15-5,1-amino-4-hydroxy-2-(3-hydroxybutoxy)anthraquinone,"1-amino-4-hydroxy-2-(3-hydroxybutoxy)-9,10-anthraquinone",CC(O)CCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,CC(O)CCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C18H17NO5/c1-9(20)6-7-24-13-8-12(21)14-15(16(13)19)18(23)11-5-3-2-4-10(11)17(14)22/h2-5,8-9,20-21H,6-7,19H2,1H3",C18H17NO5,,,,,,QDUNJVJBFUFOKM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.778,221-755-4,3225-97-6,1-amino-4-chloro-2-methylanthraquinone,"1-amino-4-chloro-2-methyl-9,10-anthraquinone",Cc1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1N,Cc1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C15H10ClNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3",C15H10ClNO2,,,,,,XHWWVXZEALFXQA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.781,221-759-6,3227-63-2,Zirconium(2+) acetate,zirconium(2+) diacetate,[Zr+2].CC(=O)[O-].CC(=O)[O-],[Zr+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Zr/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Zr,,,,,,JINJMFAIGCWUDW-UHFFFAOYSA-L,,,,,,,,,,,
100.019.782,221-760-1,1/01/3228,2-isopropyl-m-cresol,2-isopropyl-3-methylphenol,CC(C)c1c(C)cccc1O,CC(C)c1c(C)cccc1O,"InChI=1/C10H14O/c1-7(2)10-8(3)5-4-6-9(10)11/h4-7,11H,1-3H3",C10H14O,,,,,,AZXBHGKSTNMAMK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.789,221-768-5,3230-39-5,p-[(p-methoxybenzylidene)amino]phenol,4-[(4-methoxybenzylidene)amino]phenol,COc2ccc(C=Nc1ccc(O)cc1)cc2,COc2ccc(C=Nc1ccc(O)cc1)cc2,"InChI=1/C14H13NO2/c1-17-14-8-2-11(3-9-14)10-15-12-4-6-13(16)7-5-12/h2-10,16H,1H3",C14H13NO2,,,,,,YONXPYGTYHMKDH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.791,221-770-6,3230-69-1,3-methylpent-1-en-4-yn-3-ol,3-methylpent-1-en-4-yn-3-ol,CC(O)(C=C)C#C,CC(O)(C=C)C#C,"InChI=1/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3",C6H8O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10390,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.791,VBATUBQIYXCZPA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.792,221-771-1,3230-76-0,"3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,7-triene-1,6-diol","10-hydroxy-7,10-dihydroretinol",CC1(C)CCCC(\\C)=C1\\CC=C(C)C(O)C=CC(C)=CCO,CC1(C)CCCC(\C)=C1\CC=C(C)C(O)C=CC(C)=CCO,"InChI=1/C20H32O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h8-9,11-12,19,21-22H,6-7,10,13-14H2,1-5H3",C20H32O2,,,,,,FRMVBNPEOHCJAG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.793,221-772-7,3230-94-2,L-ornithine L-aspartate,L-aspartic acid - L-ornithine (1:1),NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)",C5H12N2O2.C4H7NO4,,,,,,IXUZXIMQZIMPSQ-ZBRNBAAYSA-N,,,,,,,,,,,
100.019.795,221-774-8,3232-39-1,Acetic thioanhydride,acetic thioanhydride,CC(=O)SC(=O)C,CC(=O)SC(=O)C,InChI=1/C4H6O2S/c1-3(5)7-4(2)6/h1-2H3,C4H6O2S,,,,,,DPCQJLQPDJPRCM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.798,221-777-4,3233-36-1,p-hydroxyphenyl acrylate,4-hydroxyphenyl acrylate,Oc1ccc(OC(=O)C=C)cc1,Oc1ccc(OC(=O)C=C)cc1,"InChI=1/C9H8O3/c1-2-9(11)12-8-5-3-7(10)4-6-8/h2-6,10H,1H2",C9H8O3,,,,,,NIUHGYUFFPSEOW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.804,221-784-2,3234-64-8,3-ethylpent-1-yn-3-amine,3-ethylpent-1-yn-3-amine,CCC(N)(CC)C#C,CCC(N)(CC)C#C,"InChI=1/C7H13N/c1-4-7(8,5-2)6-3/h1H,5-6,8H2,2-3H3",C7H13N,,,,,,WHNOKDNCUNZBLW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.806,221-786-3,3234-84-2,Octadecyl laurate,octadecyl laurate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,"InChI=1/C30H60O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h3-29H2,1-2H3",C30H60O2,,,,,,TZXYSEYEGNHPQI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.807,221-787-9,3234-85-3,Tetradecyl myristate,tetradecyl myristate,CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,"InChI=1/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",C28H56O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13704,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.807,DZKXJUASMGQEMA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.364,217-999-6,2035-66-7,Palladium dicyanide,palladium(2+) dicyanide,[Pd+2].[C-]#N.[C-]#N,[Pd+2].[C-]#N.[C-]#N,InChI=1/2CN.Pd/c2*1-2;/q2*-1;+2,C2N2Pd,,,,,,XDASSWBZWFFNPX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.368,218-003-2,2035-94-1,2-phenylbutane-1-ol,2-phenylbutan-1-ol,CCC(CO)c1ccccc1,CCC(CO)c1ccccc1,"InChI=1/C10H14O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3",C10H14O,,,,,,DNHNBMQCHKKDNI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.372,218-007-4,2036-92-2,Dicyclohexyl diperoxycarbonate,{[(cyclohexylperoxy)carbonyl]peroxy}cyclohexane,O=C(OOC1CCCCC1)OOC2CCCCC2,O=C(OOC1CCCCC1)OOC2CCCCC2,"InChI=1/C13H22O5/c14-13(17-15-11-7-3-1-4-8-11)18-16-12-9-5-2-6-10-12/h11-12H,1-10H2",C13H22O5,,,,,,JTZMVYPFTMBXQL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.373,218-009-5,2037-26-5,(2H8)toluene,toluene,Cc1ccccc1,Cc1ccccc1,"InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",C7D8,,,,,,YXFVVABEGXRONW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.374,218-010-0,2037-31-2,m-chlorothiophenol,3-chlorobenzenethiol,Sc1cccc(Cl)c1,Sc1cccc(Cl)c1,"InChI=1/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H",C6H5ClS,,,,,,CQJDYPZUDYXHLM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.146,224-360-5,4325-77-3,2-phenylphenanthrene,2-phenylphenanthrene,c1ccc(cc1)c2ccc3c(ccc4ccccc34)c2,c1ccc(cc1)c2ccc3c(ccc4ccccc34)c2,InChI=1/C20H14/c1-2-6-15(7-3-1)17-12-13-20-18(14-17)11-10-16-8-4-5-9-19(16)20/h1-14H,C20H14,,,,,,OSOLELDZBFOFHO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.149,224-363-1,4328-13-6,Tetrahexylammonium bromide,"N,N,N-trihexylhexan-1-aminium bromide",[Br-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,[Br-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,"InChI=1/C24H52N.BrH/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1",C24H52N.Br,,,,,,SYZCZDCAEVUSPM-UHFFFAOYSA-M,,,,,,,,,,,
100.022.151,224-365-2,4329-91-3,1-ethyl-2-sulphonatoquinolinium,1-ethylquinolinium-2-sulfonate,CC[n+]1c(ccc2ccccc12)S(=O)(=O)[O-],CC[n+]1c(ccc2ccccc12)S(=O)(=O)[O-],"InChI=1/C11H11NO3S/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)16(13,14)15/h3-8H,2H2,1H3",C11H11NO3S,,,,,,VDLUATXFGISGEH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.156,224-371-5,4332-51-8,[[(2-chloroethyl)thio]methyl]benzene,{[(2-chloroethyl)sulfanyl]methyl}benzene,ClCCSCc1ccccc1,ClCCSCc1ccccc1,"InChI=1/C9H11ClS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2",C9H11ClS,,,,,,UQSMMTFBNJUPGW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.162,224-377-8,4335-26-6,2-(2-iminothiazolidin-3-yl)-1-phenylethan-1-one monohydrobromide,"2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone hydrobromide",Br.N=C1SCCN1CC(=O)c2ccccc2,Br.N=C1SCCN1CC(=O)c2ccccc2,"InChI=1/C11H12N2OS.BrH/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;/h1-5,12H,6-8H2;1H",C11H12N2OS.BrH,,,,,,HLACPNZZRMLNQK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.164,224-379-9,4335-70-0,4-[(m-tolyl)azo]-m-toluidinium chloride,3-methyl-4-[(3-methylphenyl)diazenyl]anilinium chloride,[Cl-].Cc2cc(N=Nc1ccc([NH3+])cc1C)ccc2,[Cl-].Cc2cc(N=Nc1ccc([NH3+])cc1C)ccc2,"InChI=1/C14H15N3.ClH/c1-10-4-3-5-13(8-10)16-17-14-7-6-12(15)9-11(14)2;/h3-9H,15H2,1-2H3;1H",C14H15N3.ClH,,,,,,QZHASFDWYSEJDA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.168,224-384-6,4337-37-5,N-(N-DL-leucylglycyl)glycine,L-leucylglycylglycine,O=C(CNC(=O)[C@@H](N)CC(C)C)NCC(O)=O,O=C(CNC(=O)[C@@H](N)CC(C)C)NCC(O)=O,"InChI=1/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)",C10H19N3O4,,,,,,VWHGTYCRDRBSFI-ZETCQYMHSA-N,,,,,,,,,,,
100.022.173,224-389-3,4338-47-0,N-(2-furanylmethyl)-1H-purin-6-amine riboside,N-(2-furylmethyl)-9-pentofuranosyl-9H-purin-6-amine,OCC1OC(C(O)C1O)n2cnc3c(NCc4occc4)ncnc23,OCC1OC(C(O)C1O)n2cnc3c(NCc4occc4)ncnc23,"InChI=1/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)",C15H17N5O5,,,,,,CAGLGYNQQSIUGX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.174,224-390-9,4338-64-1,2-(1-methylnonyl)phenol,2-(1-methylnonyl)phenol,CCCCCCCCC(C)c1ccccc1O,CCCCCCCCC(C)c1ccccc1O,"InChI=1/C16H26O/c1-3-4-5-6-7-8-11-14(2)15-12-9-10-13-16(15)17/h9-10,12-14,17H,3-8,11H2,1-2H3",C16H26O,,,,,,YYUUSAFRJJBDDU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.334,225-667-7,5001-32-1,Guanoclor,"2-[2-(2,6-dichlorophenoxy)ethyl]hydrazinecarboximidamide",NC(=N)NNCCOc1c(Cl)cccc1Cl,NC(=N)NNCCOc1c(Cl)cccc1Cl,"InChI=1/C9H12Cl2N4O/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)",C9H12Cl2N4O,,,,,,XIHXRRMCNSMUET-UHFFFAOYSA-N,,,,,,,,,,,
100.023.344,225-678-7,5005-37-8,a-(4-chlorophenyl)pyridine-2-acetonitrile,(4-chlorophenyl)(pyridin-2-yl)acetonitrile,Clc1ccc(cc1)C(C#N)c2ccccn2,Clc1ccc(cc1)C(C#N)c2ccccn2,"InChI=1/C13H9ClN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h1-8,12H",C13H9ClN2,,,,,,TVLXKCIMEBLREH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.350,225-685-5,5008-72-0,2-(ethylthio)butane,sec-butyl ethyl sulfide,CCSC(C)CC,CCSC(C)CC,"InChI=1/C6H14S/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3",C6H14S,,,,,,JFNGZXUPUVUYST-UHFFFAOYSA-N,,,,,,,,,,,
100.019.427,221-369-6,3079-30-9,1-(methylsulphinyl)dodecane,1-(methylsulfinyl)dodecane,CCCCCCCCCCCCS(=O)C,CCCCCCCCCCCCS(=O)C,"InChI=1/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3",C13H28OS,,,,,,CJPDBKNETSCHCH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.430,221-372-2,3080-75-9,"2-isobutyl-4-methyl-1,3-dioxane","2-isobutyl-4-methyl-1,3-dioxane",CC(C)CC1OCCC(C)O1,CC(C)CC1OCCC(C)O1,"InChI=1/C9H18O2/c1-7(2)6-9-10-5-4-8(3)11-9/h7-9H,4-6H2,1-3H3",C9H18O2,,,,,,ZFBLKHRAGAMZDX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.432,221-374-3,4/01/3081,"N-(1,4-dimethylpentyl)-N'-phenylbenzene-1,4-diamine","N-(1,4-dimethylpentyl)-N'-phenylbenzene-1,4-diamine",CC(C)CCC(C)Nc1ccc(Nc2ccccc2)cc1,CC(C)CCC(C)Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C19H26N2/c1-15(2)9-10-16(3)20-18-11-13-19(14-12-18)21-17-7-5-4-6-8-17/h4-8,11-16,20-21H,9-10H2,1-3H3",C19H26N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12770,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.432,UHJVLUYSDYOULM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.434,221-376-4,3081-20-7,"2,2,4,4,5,5-hexamethyl-1,3-dioxa-2-silacyclopentane","2,2,4,4,5,5-hexamethyl-1,3,2-dioxasilolane",CC1(C)O[Si](C)(C)OC1(C)C,CC1(C)O[Si](C)(C)OC1(C)C,"InChI=1/C8H18O2Si/c1-7(2)8(3,4)10-11(5,6)9-7/h1-6H3",C8H18O2Si,,,,,,GVPUUBGTKARRHG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.444,221-387-4,3084-21-7,"2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]methylamino]ethanol","2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(methyl)amino]ethanol",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(C)CCO)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(C)CCO)[N+]([O-])=O,"InChI=1/C16H16Cl2N4O3/c1-10-7-11(21(2)5-6-23)3-4-15(10)19-20-16-13(17)8-12(22(24)25)9-14(16)18/h3-4,7-9,23H,5-6H2,1-2H3",C16H16Cl2N4O3,,,,,,SDAZJSTZWITAGK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.445,221-389-5,3084-25-1,"1,3-[bis(hydroxymethyl)]thiourea","1,3-bis(hydroxymethyl)thiourea",OCNC(=S)NCO,OCNC(=S)NCO,"InChI=1/C3H8N2O2S/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8)",C3H8N2O2S,,,,,,ORGWCTHQVYSUNL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.455,221-400-3,3085-54-9,4'-methylformanilide,N-(4-methylphenyl)formamide,Cc1ccc(NC=O)cc1,Cc1ccc(NC=O)cc1,"InChI=1/C8H9NO/c1-7-2-4-8(5-3-7)9-6-10/h2-6H,1H3,(H,9,10)",C8H9NO,,,,,,GRVKDWHXLFEVBP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.457,221-402-4,3085-79-8,Tributylmethylammonium iodide,"N,N-dibutyl-N-methylbutan-1-aminium iodide",[I-].CCCC[N+](C)(CCCC)CCCC,[I-].CCCC[N+](C)(CCCC)CCCC,"InChI=1/C13H30N.HI/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1",C13H30N.I,,,,,,DXJLCRNXYNRGRA-UHFFFAOYSA-M,,,,,,,,,,,
100.016.407,218-046-7,3/06/2043,"2,5-bis([1,1'-biphenyl]-4-yl)-1,3,4-oxadiazole","2,5-dibiphenyl-4-yl-1,3,4-oxadiazole",o1c(nnc1c2ccc(cc2)c3ccccc3)c4ccc(cc4)c5ccccc5,o1c(nnc1c2ccc(cc2)c3ccccc3)c4ccc(cc4)c5ccccc5,InChI=1/C26H18N2O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,C26H18N2O,,,,,,IVVYVRLKDGGUEL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.408,218-047-2,2043-24-5,1-methyl-5-thioxopyrrolidin-2-one,1-methyl-5-thioxopyrrolidin-2-one,CN1C(=O)CCC1=S,CN1C(=O)CCC1=S,"InChI=1/C5H7NOS/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3",C5H7NOS,,,,,,OLKFZBZMGOITSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.411,218-050-9,2043-47-2,"3,3,4,4,5,5,6,6,6-nonafluorohexanol","3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2",C6H5F9O,,,,,,JCMNMOBHVPONLD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.417,218-057-7,2043-61-0,Cyclohexanecarbaldehyde,cyclohexanecarbaldehyde,O=CC1CCCCC1,O=CC1CCCCC1,"InChI=1/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2",C7H12O,,,,,,KVFDZFBHBWTVID-UHFFFAOYSA-N,,,,,,,,,,,
100.016.421,218-061-9,2044-73-7,Pyridine-2-methanethiol,pyridin-2-ylmethanethiol,SCc1ccccn1,SCc1ccccn1,"InChI=1/C6H7NS/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2",C6H7NS,,,,,,SJIIDWBFRZACDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.428,218-069-2,2049-67-4,Diethyl pent-2-enedioate,diethyl pent-2-enedioate,CCOC(=O)C=CCC(=O)OCC,CCOC(=O)C=CCC(=O)OCC,"InChI=1/C9H14O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h5-6H,3-4,7H2,1-2H3",C9H14O4,,,,,,JHCKGVJZNIWNJK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.432,218-073-4,2049-86-7,"Diethyl 2,3-diacetylsuccinate","diethyl 2,3-diacetylsuccinate",CCOC(=O)C(C(C(=O)C)C(=O)OCC)C(=O)C,CCOC(=O)C(C(C(=O)C)C(=O)OCC)C(=O)C,"InChI=1/C12H18O6/c1-5-17-11(15)9(7(3)13)10(8(4)14)12(16)18-6-2/h9-10H,5-6H2,1-4H3",C12H18O6,,,,,,GJEDSIHWCPPJFN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.438,218-080-2,2050-08-0,Pentyl salicylate,pentyl salicylate,CCCCCOC(=O)c1ccccc1O,CCCCCOC(=O)c1ccccc1O,"InChI=1/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3",C12H16O3,,,,,,RANVDUNFZBMTBK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.440,218-082-3,2050-14-8,"2,2'-azobisphenol","2,2'-diazene-1,2-diyldiphenol",Oc2ccccc2N=Nc1ccccc1O,Oc2ccccc2N=Nc1ccccc1O,"InChI=1/C12H10N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16/h1-8,15-16H",C12H10N2O2,,,,,,JFEVWPNAOCPRHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.443,218-086-5,2050-24-0,"3,5-diethyltoluene","1,3-diethyl-5-methylbenzene",CCc1cc(C)cc(CC)c1,CCc1cc(C)cc(CC)c1,"InChI=1/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3",C11H16,,,,,,HILAULICMJUOLK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.950,227-445-5,5850-13-5,"Sodium 4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]benzenesulphonate","sodium 4-{[2,4-dihydroxy-3-(phenyldiazenyl)phenyl]diazenyl}benzenesulfonate",[Na+].Oc2c(ccc(O)c2N=Nc1ccccc1)N=Nc3ccc(cc3)S([O-])(=O)=O,[Na+].Oc2c(ccc(O)c2N=Nc1ccccc1)N=Nc3ccc(cc3)S([O-])(=O)=O,"InChI=1/C18H14N4O5S.Na/c23-16-11-10-15(18(24)17(16)22-20-12-4-2-1-3-5-12)21-19-13-6-8-14(9-7-13)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1",C18H14N4O5S.Na,,,,,,WYEXAYPDEBUFSB-UHFFFAOYSA-M,,,,,,,,,,,
100.024.952,227-447-6,5850-16-8,"Disodium 4,4'-[(2,4-dihydroxy-1,3-phenylene)bis(azo)]bisnaphthalene-1-sulphonate","disodium 4,4'-[(2,4-dihydroxy-1,3-phenylene)didiazene-2,1-diyl]dinaphthalene-1-sulfonate",[Na+].[Na+].Oc3c(ccc(O)c3N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O,[Na+].[Na+].Oc3c(ccc(O)c3N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O,"InChI=1/C26H18N4O8S2.2Na/c31-22-12-9-21(29-27-19-10-13-23(39(33,34)35)17-7-3-1-5-15(17)19)26(32)25(22)30-28-20-11-14-24(40(36,37)38)18-8-4-2-6-16(18)20;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C26H18N4O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10796,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.952,NMZNGCLVMMUXIC-UHFFFAOYSA-L,,,,,,,,,,,
100.024.957,227-452-3,5850-39-5,"Disodium 4-amino-3-[(4-aminophenyl)azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-[(4-aminophenyl)diazenyl]-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,[Na+].[Na+].Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,"InChI=1/C22H18N6O7S2.2Na/c23-13-6-8-15(9-7-13)26-27-20-16(36(30,31)32)10-12-11-17(37(33,34)35)21(22(29)18(12)19(20)24)28-25-14-4-2-1-3-5-14;;/h1-11,29H,23-24H2,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C22H18N6O7S2.2Na,,,,,,VGCGYVHOTSGFBE-UHFFFAOYSA-L,,,,,,,,,,,
100.024.962,227-458-6,5850-86-2,Sodium 4-(2-hydroxynaphth-1-ylazo)-3-methylbenzenesulphonate,sodium 4-[(2-hydroxy-1-naphthyl)diazenyl]-3-methylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3,[Na+].[O-]S(=O)(=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3,"InChI=1/C17H14N2O4S.Na/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/p-1",C17H14N2O4S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17118,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.962,WPWNIQBSYQVEKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.024.965,227-461-2,5852-25-5,"Disodium 1-(3-aminophenyl)-4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]phenyl]azo]-5-oxo-1H-pyrazole-3-carboxylate","disodium 1-(3-aminophenyl)-4-[(4-{[5-hydroxy-6-(phenyldiazenyl)-7-sulfonato-2-naphthyl]carbamoyl}phenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)c4ccc(cc4)N=NC6\\C(=N/N(c5cc(N)ccc5)C6=O)C([O-])=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)c4ccc(cc4)N=NC6\C(=N/N(c5cc(N)ccc5)C6=O)C([O-])=O,"InChI=1/C33H24N8O8S.2Na/c34-20-5-4-8-24(17-20)41-32(44)28(29(40-41)33(45)46)39-37-22-11-9-18(10-12-22)31(43)35-23-13-14-25-19(15-23)16-26(50(47,48)49)27(30(25)42)38-36-21-6-2-1-3-7-21;;/h1-17,28,42H,34H2,(H,35,43)(H,45,46)(H,47,48,49);;/q;2*+1/p-2",C33H24N8O8S.2Na,,,,,,QCEQETFSOPFUKT-UHFFFAOYSA-L,,,,,,,,,,,
100.024.977,227-474-3,5856-48-4,"2',3'-O-isopropylidene-6-thioinosine","9-(2,3-O-isopropylidenepentofuranosyl)-1,9-dihydro-6H-purine-6-thione",CC1(C)OC2C(CO)OC(C2O1)n3cnc4C(=S)NC=Nc34,CC1(C)OC2C(CO)OC(C2O1)n3cnc4C(=S)NC=Nc34,"InChI=1/C13H16N4O4S/c1-13(2)20-8-6(3-18)19-12(9(8)21-13)17-5-16-7-10(17)14-4-15-11(7)22/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,22)",C13H16N4O4S,,,,,,HXZCOKXEDYVENB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.563,231-418-3,7541-59-5,"Butane-1,2,3,4-tetrol","butane-1,2,3,4-tetrol",OCC(O)C(O)CO,OCC(O)C(O)CO,"InChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2",C4H10O4,,,,,,UNXHWFMMPAWVPI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.564,231-419-9,8/09/7542,"Carbonic acid, cobalt salt",cobalt(2+) carbonate,[Co+2].[O-]C(=O)[O-],[Co+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Co/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.xCo,,,,,,ZOTKGJBKKKVBJZ-UHFFFAOYSA-L,,,,,,,,,,,
100.028.567,231-423-0,7542-37-2,Paromomycin,"4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O,NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",C23H45N5O14,,,,,,UOZODPSAJZTQNH-LSWIJEOBSA-N,,,,,,,,,,,
100.028.568,231-424-6,7542-45-2,"3,3'-dihydro-ß,ß-carotene-4,4'-dione","beta,beta-carotene-4,4'-dione",C\\C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C1=C(C)C(=O)CCC1(C)C)\\C=C\\C=C(/C)\\C=C\\C2=C(C)C(=O)CCC2(C)C,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)CCC2(C)C,"InChI=1/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3",C40H52O4,,,,,,FDSDTBUPSURDBL-DKLMTRRASA-N,,,,,,,,,,,
100.028.569,231-425-1,7544-97-0,4-[(benzyl)amino]butyronitrile monohydrochloride,4-(benzylamino)butanenitrile hydrochloride,Cl.N#CCCCNCc1ccccc1,Cl.N#CCCCNCc1ccccc1,"InChI=1/C11H14N2.ClH/c12-8-4-5-9-13-10-11-6-2-1-3-7-11;/h1-3,6-7,13H,4-5,9-10H2;1H",C11H14N2.ClH,,,,,,MZJHLYULZSPGRX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.572,231-428-8,7545-50-8,"4,4'-sulphonylbis[2-aminophenol]","4,4'-sulfonylbis(2-aminophenol)",Nc1cc(ccc1O)S(=O)(=O)c2ccc(O)c(N)c2,Nc1cc(ccc1O)S(=O)(=O)c2ccc(O)c(N)c2,"InChI=1/C12H12N2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2",C12H12N2O4S,,,,,,KECOIASOKMSRFT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.810,221-791-0,3235-17-4,N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]glycine,N-[(benzyloxy)carbonyl]-D-alanylglycine,C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O,C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O,"InChI=1/C13H16N2O5/c1-9(12(18)14-7-11(16)17)15-13(19)20-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,18)(H,15,19)(H,16,17)",C13H16N2O5,,,,,,RNBMQRYMCAVZPN-VIFPVBQESA-N,,,,,,,,,,,
100.019.811,221-792-6,3236-53-1,"2,2,4-trimethylhexane-1,6-diamine","2,2,4-trimethylhexane-1,6-diamine",CC(CCN)CC(C)(C)CN,CC(CCN)CC(C)(C)CN,"InChI=1/C9H22N2/c1-8(4-5-10)6-9(2,3)7-11/h8H,4-7,10-11H2,1-3H3",C9H22N2,,,,,,JCUZDQXWVYNXHD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.812,221-793-1,3236-54-2,"2,4,4-trimethylhexane-1,6-diamine","2,4,4-trimethylhexane-1,6-diamine",CC(CN)CC(C)(C)CCN,CC(CN)CC(C)(C)CCN,"InChI=1/C9H22N2/c1-8(7-11)6-9(2,3)4-5-10/h8H,4-7,10-11H2,1-3H3",C9H22N2,,,,,,DPQHRXRAZHNGRU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.815,221-796-8,3237-50-1,"5,5-dihydroxyperhydropyrimidinetrione","5,5-dihydroxypyrimidine-2,4,6(1H,3H,5H)-trione",OC1(O)C(=O)NC(=O)NC1=O,OC1(O)C(=O)NC(=O)NC1=O,"InChI=1/C4H4N2O5/c7-1-4(10,11)2(8)6-3(9)5-1/h10-11H,(H2,5,6,7,8,9)",C4H4N2O5,,,,,,ZIIHZVKHFWOENY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.821,221-802-9,3238-75-3,2-(dipropylamino)ethanol,2-(dipropylamino)ethanol,CCCN(CCC)CCO,CCCN(CCC)CCO,"InChI=1/C8H19NO/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3",C8H19NO,,,,,,SWKPGMVENNYLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.614,217-175-6,1762-95-4,Ammonium thiocyanate,ammonium thiocyanate,[NH4+].[S-]C#N,[NH4+].[S-]C#N,InChI=1/CHNS.H3N/c2-1-3;/h3H;1H3,CHNS.H3N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12671,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.614,SOIFLUNRINLCBN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.617,217-178-2,1763-21-9,"3,3,4,4-tetrafluorohexa-1,5-diene","3,3,4,4-tetrafluorohexa-1,5-diene",FC(F)(C=C)C(F)(F)C=C,FC(F)(C=C)C(F)(F)C=C,"InChI=1/C6H6F4/c1-3-5(7,8)6(9,10)4-2/h3-4H,1-2H2",C6H6F4,,,,,,AKAQZCPDRXZZJS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.624,217-186-6,1766-91-2,Penflutizide,"3-pentyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",CCCCCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)C(F)(F)F,CCCCCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)C(F)(F)F,"InChI=1/C13H18F3N3O4S2/c1-2-3-4-5-12-18-9-6-8(13(14,15)16)10(24(17,20)21)7-11(9)25(22,23)19-12/h6-7,12,18-19H,2-5H2,1H3,(H2,17,20,21)",C13H18F3N3O4S2,,,,,,AKHXXQAIVSMYIS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.761,217-337-6,1820-73-1,L-glutamic acid <U+03B3>-hydrazide,2-amino-5-hydrazino-5-oxopentanoic acid (non-preferred name),NNC(=O)CCC(N)C(=O)O,NNC(=O)CCC(N)C(=O)O,"InChI=1/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)",C5H11N3O3,,,,,,MOFBPUBBBREDCE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.762,217-338-1,1820-80-0,Pyrazol-3-ylamine,1H-pyrazol-3-amine,Nc1cc[nH]n1,Nc1cc[nH]n1,"InChI=1/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",C3H5N3,,,,,,JVVRJMXHNUAPHW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.765,217-341-8,1821-12-1,4-phenylbutyric acid,4-phenylbutanoic acid,OC(=O)CCCc1ccccc1,OC(=O)CCCc1ccccc1,"InChI=1/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)",C10H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16079,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.765,OBKXEAXTFZPCHS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.767,217-343-9,1821-27-8,4-nitro-N-(4-nitrophenyl)aniline,4-nitro-N-(4-nitrophenyl)aniline,[O-][N+](=O)c1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C12H9N3O4/c16-14(17)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)15(18)19/h1-8,13H",C12H9N3O4,,,,,,MTWHRQTUBOTQTE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.773,217-350-7,1822-51-1,4-(chloromethyl)pyridinium chloride,4-(chloromethyl)pyridinium chloride,[Cl-].ClCc1cc[nH+]cc1,[Cl-].ClCc1cc[nH+]cc1,"InChI=1/C6H6ClN.ClH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1H",C6H6ClN.ClH,,,,,,ZDHKVKPZQKYREU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.779,217-357-5,1824-52-8,Bemetizide,"6-chloro-3-(1-phenylethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",CC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)c3ccccc3,CC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)c3ccccc3,"InChI=1/C15H16ClN3O4S2/c1-9(10-5-3-2-4-6-10)15-18-12-7-11(16)13(24(17,20)21)8-14(12)25(22,23)19-15/h2-9,15,18-19H,1H3,(H2,17,20,21)",C15H16ClN3O4S2,,,,,,PYVUMAGVCSQCBD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.781,217-359-6,1824-74-4,"7-chloro-1,3-dihydro-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate","7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate",CC(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,CC(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,"InChI=1/C17H13ClN2O3/c1-10(21)23-17-16(22)19-14-8-7-12(18)9-13(14)15(20-17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,19,22)",C17H13ClN2O3,,,,,,FYRWUTOZBRWYCS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.787,217-365-9,1825-31-6,"1,4-dichloronaphthalene","1,4-dichloronaphthalene",Clc1ccc(Cl)c2ccccc12,Clc1ccc(Cl)c2ccccc12,InChI=1/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,C10H6Cl2,,,,,,JDPKCYMVSKDOGS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.411,221-351-8,8/04/3076,Tridecyl acrylate,tridecyl acrylate,CCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2/h4H,2-3,5-15H2,1H3",C16H30O2,,,,,,XOALFFJGWSCQEO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.419,221-360-7,3077-13-2,"1,1'-phenyliminodipropan-2-ol","1,1'-(phenylimino)dipropan-2-ol",CC(O)CN(CC(C)O)c1ccccc1,CC(O)CN(CC(C)O)c1ccccc1,"InChI=1/C12H19NO2/c1-10(14)8-13(9-11(2)15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3",C12H19NO2,,,,,,FKOMNQCOHKHUCP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.354,225-689-7,5010-35-5,5-methyl-5-phenylhexan-3-ol,5-methyl-5-phenylhexan-3-ol,CCC(O)CC(C)(C)c1ccccc1,CCC(O)CC(C)(C)c1ccccc1,"InChI=1/C13H20O/c1-4-12(14)10-13(2,3)11-8-6-5-7-9-11/h5-9,12,14H,4,10H2,1-3H3",C13H20O,,,,,,MIYLVQHVMLKMCN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.358,225-693-9,5014-86-8,4-(o-tolylazo)-m-toluidine,3-methyl-4-[(2-methylphenyl)diazenyl]aniline,Cc2ccccc2N=Nc1ccc(N)cc1C,Cc2ccccc2N=Nc1ccc(N)cc1C,"InChI=1/C14H15N3/c1-10-5-3-4-6-13(10)16-17-14-8-7-12(15)9-11(14)2/h3-9H,15H2,1-2H3",C14H15N3,,,,,,KDDUERRSHIDEPP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.359,225-694-4,5015-36-1,"Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-(phosphonooxy)-, disodium salt, (6a,11ß)-","Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-(phosphonooxy)-, disodium salt, (6alpha,11beta)-",[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COP(=O)(O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COP(=O)(O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C22H31O8P.2Na/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20;;/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29);;/q;2*+1",C22H31O8P.2Na,,,,,,FVKLXKOXTMCACB-VJWYNRERSA-N,,,,,,,,,,,
100.023.365,225-701-0,5018-45-1,"5,6-dimethoxypyrimidin-4-amine","5,6-dimethoxypyrimidin-4-amine",COc1ncnc(N)c1OC,COc1ncnc(N)c1OC,"InChI=1/C6H9N3O2/c1-10-4-5(7)8-3-9-6(4)11-2/h3H,1-2H3,(H2,7,8,9)",C6H9N3O2,,,,,,OBYHDGNNFIOYSU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.366,225-702-6,5018-87-1,2-(1-naphthoyl)benzoic acid,2-(1-naphthoyl)benzoic acid,OC(=O)c1ccccc1C(=O)c2cccc3ccccc23,OC(=O)c1ccccc1C(=O)c2cccc3ccccc23,"InChI=1/C18H12O3/c19-17(15-9-3-4-10-16(15)18(20)21)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,20,21)",C18H12O3,,,,,,OXCYAVHGYGKEJY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.371,225-707-3,5022-29-7,N-ethylphthalimide,"2-ethyl-1H-isoindole-1,3(2H)-dione",CCN1C(=O)c2ccccc2C1=O,CCN1C(=O)c2ccccc2C1=O,"InChI=1/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3",C10H9NO2,,,,,,JZDSOQSUCWVBMV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.374,225-711-5,5024-21-5,Dimethyl tetradecanedioate,dimethyl tetradecanedioate,COC(=O)CCCCCCCCCCCCC(=O)OC,COC(=O)CCCCCCCCCCCCC(=O)OC,"InChI=1/C16H30O4/c1-19-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)20-2/h3-14H2,1-2H3",C16H30O4,,,,,,ZDJFDFNNEAPGOP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.004,216-504-0,1603-79-8,Ethyl phenylglyoxylate,ethyl oxo(phenyl)acetate,CCOC(=O)C(=O)c1ccccc1,CCOC(=O)C(=O)c1ccccc1,"InChI=1/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C10H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12328,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.004,QKLCQKPAECHXCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.005,216-505-6,1603-91-4,4-methylthiazol-2-ylamine,"4-methyl-1,3-thiazol-2-amine",Cc1csc(N)n1,Cc1csc(N)n1,"InChI=1/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)",C4H6N2S,,,,,,OUQMXTJYCAJLGO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.006,216-506-1,1604-11-1,Dimethyl methylsuccinate,dimethyl 2-methylsuccinate,COC(=O)CC(C)C(=O)OC,COC(=O)CC(C)C(=O)OC,"InChI=1/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3",C7H12O4,,,,,,NFOQJNGQQXICBY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.008,216-508-2,1604-29-1,"1,1-dimethylprop-2-ynyl acetate","1,1-dimethylprop-2-yn-1-yl acetate",CC(=O)OC(C)(C)C#C,CC(=O)OC(C)(C)C#C,"InChI=1/C7H10O2/c1-5-7(3,4)9-6(2)8/h1H,2-4H3",C7H10O2,,,,,,HBSFTVGBQDJTAW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.017,223-118-6,3738-00-9,"Dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan","3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan",CC1(C)CCCC2(C)C1CCC3(C)OCCC23,CC1(C)CCCC2(C)C1CCC3(C)OCCC23,"InChI=1/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3",C16H28O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11568,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.017,YPZUZOLGGMJZJO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.021,223-122-8,3739-64-8,1-(allyloxy)butane,1-(allyloxy)butane,CCCCOCC=C,CCCCOCC=C,"InChI=1/C7H14O/c1-3-5-7-8-6-4-2/h4H,2-3,5-7H2,1H3",C7H14O,,,,,,IBTLFDCPAJLATQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.024,223-125-4,3739-94-4,"Pyridine-2,6-dicarbonyl dichloride","pyridine-2,6-dicarbonyl dichloride",ClC(=O)c1cccc(n1)C(=O)Cl,ClC(=O)c1cccc(n1)C(=O)Cl,InChI=1/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H,C7H3Cl2NO2,,,,,,GWHOGODUVLQCEB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.026,223-128-0,3740-52-1,2-nitrophenylacetic acid,(2-nitrophenyl)acetic acid,OC(=O)Cc1ccccc1[N+](=O)[O-],OC(=O)Cc1ccccc1[N+](=O)[O-],"InChI=1/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)",C8H7NO4,,,,,,WMUZDBZPDLHUMW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.028,223-130-1,3741-36-4,"2-methoxy-1,3,2-dioxaphospholane","2-methoxy-1,3,2-dioxaphospholane",COP1OCCO1,COP1OCCO1,"InChI=1/C3H7O3P/c1-4-7-5-2-3-6-7/h2-3H2,1H3",C3H7O3P,,,,,,FBOPSFFWGHLLTB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.031,223-133-8,3742-34-5,Vinylcyclopentane,vinylcyclopentane,C=CC1CCCC1,C=CC1CCCC1,"InChI=1/C7H12/c1-2-7-5-3-4-6-7/h2,7H,1,3-6H2",C7H12,,,,,,BEFDCLMNVWHSGT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.445,218-088-6,2050-43-3,"2',4'-dimethylacetanilide","N-(2,4-dimethylphenyl)acetamide",CC(=O)Nc1ccc(C)cc1C,CC(=O)Nc1ccc(C)cc1C,"InChI=1/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)",C10H13NO,,,,,,PJEIIBXJUDOMAN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.448,218-091-2,2050-51-3,3-dibutylaminopropan-1-ol,3-(dibutylamino)propan-1-ol,CCCCN(CCCC)CCCO,CCCCN(CCCC)CCCO,"InChI=1/C11H25NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h13H,3-11H2,1-2H3",C11H25NO,,,,,,DMPODMBXLRMZSP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.824,221-806-0,3239-45-0,(S)-N-ethyl-a-methyl-m-(trifluoromethyl)phenethylamine hydrochloride,N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride,Cl.CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F,Cl.CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F,"InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H",C12H16F3N.ClH,,,,,,ZXKXJHAOUFHNAS-FVGYRXGTSA-N,,,,,,,,,,,
100.019.831,221-813-9,4/01/3243,Diethyl (2-pyridylmethyl)malonate,diethyl (pyridin-2-ylmethyl)malonate,CCOC(=O)C(Cc1ccccn1)C(=O)OCC,CCOC(=O)C(Cc1ccccn1)C(=O)OCC,"InChI=1/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)9-10-7-5-6-8-14-10/h5-8,11H,3-4,9H2,1-2H3",C13H17NO4,,,,,,CHNRGKPWYUVJEW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.851,221-835-9,3249-68-1,Ethyl 3-oxohexanoate,ethyl 3-oxohexanoate,CCCC(=O)CC(=O)OCC,CCCC(=O)CC(=O)OCC,"InChI=1/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3",C8H14O3,,,,,,KQWWVLVLVYYYDT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.855,221-840-6,3251-69-2,4-imidazoleacetic acid hydrochloride,1H-imidazol-4-ylacetic acid hydrochloride,Cl.OC(=O)Cc1c[nH]cn1,Cl.OC(=O)Cc1c[nH]cn1,"InChI=1/C5H6N2O2.ClH/c8-5(9)1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7)(H,8,9);1H",C5H6N2O2.ClH,,,,,,MWHLCFYPFGFBQO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.866,221-852-1,3256-24-4,Uridylyl(3'<U+2192>5')adenosine,-,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC4C(CO)OC(C4O)N5C=CC(=O)NC5=O)C(O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC4C(CO)OC(C4O)N5C=CC(=O)NC5=O)C(O)C3O,"InChI=1/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)17-12(30)11(29)8(37-17)4-35-39(33,34)38-14-7(3-27)36-18(13(14)31)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)",C19H24N7O12P,,,,,,SWTWQWKNQDDGCS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.869,221-855-8,3257-18-9,S-benzyl-N-benzyloxycarbonyl-L-cysteine,S-benzyl-N-[(benzyloxy)carbonyl]cysteine,OC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C18H19NO4S/c20-17(21)16(13-24-12-15-9-5-2-6-10-15)19-18(22)23-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)(H,20,21)",C18H19NO4S,,,,,,ATPNWHGYKFXQNF-INIZCTEOSA-N,,,,,,,,,,,
100.015.790,217-369-0,1825-61-2,Methoxytrimethylsilane,methoxy(trimethyl)silane,CO[Si](C)(C)C,CO[Si](C)(C)C,"InChI=1/C4H12OSi/c1-5-6(2,3)4/h1-4H3",C4H12OSi,,,,,,POPACFLNWGUDSR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.798,217-377-4,1829-00-1,"Disodium 2,2'-(1-triazene-1,3-diyldi-p-phenylene)bis[6-methylbenzothiazole-7-sulphonate]","disodium 6-methyl-2-(4-{3-[4-(7-sulfonato-1,3-benzothiazol-2-yl)phenyl]triaz-1-en-1-yl}phenyl)-1,3-benzothiazole-7-sulfonate",Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc(cc3)N=NNc4ccc(cc4)c5nc6cccc(c6s5)S(=O)(=O)O[Na],Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc(cc3)N=NNc4ccc(cc4)c5nc6cccc(c6s5)S(=O)(=O)O[Na],"InChI=1/C27H19N5O6S4.2Na/c1-15-5-14-21-24(25(15)42(36,37)38)40-27(29-21)17-8-12-19(13-9-17)31-32-30-18-10-6-16(7-11-18)26-28-20-3-2-4-22(23(20)39-26)41(33,34)35;;/h2-14H,1H3,(H,30,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/rC27H17N5Na2O6S4/c1-15-5-14-21-24(25(15)44(37,38)40-34)42-27(29-21)17-8-12-19(13-9-17)31-32-30-18-10-6-16(7-11-18)26-28-20-3-2-4-22(23(20)41-26)43(35,36)39-33/h2-14H,1H3,(H,30,31)",C28H21N5O6S4.2Na,,,,,,XXSINEKLUIUVAG-UHFFFAOYSA-L,,,,,,,,,,,
100.015.803,217-383-7,1829-92-1,Triethylsulphonium iodide,triethylsulfonium iodide,[I-].CC[S+](CC)CC,[I-].CC[S+](CC)CC,"InChI=1/C6H15S.HI/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1",C6H15S.I,,,,,,LKDQWVKWYGOVJW-UHFFFAOYSA-M,,,,,,,,,,,
100.015.804,217-384-2,1830-32-6,Azintamide,"2-[(6-chloropyridazin-3-yl)sulfanyl]-N,N-diethylacetamide",CCN(CC)C(=O)CSc1ccc(Cl)nn1,CCN(CC)C(=O)CSc1ccc(Cl)nn1,"InChI=1/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3",C10H14ClN3OS,,,,,,SSLKKMZJCJBOML-UHFFFAOYSA-N,,,,,,,,,,,
100.015.814,217-395-2,1833-72-3,1-(3-chlorophenyl)-5-[(4-methoxy-2-nitrophenyl)azo]-3-methylbarbituric acid,"1-(3-chlorophenyl)-5-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methylpyrimidine-2,4,6(1H,3H,5H)-trione",[O-][N+](=O)c3cc(OC)ccc3N=NC2C(=O)N(c1cc(Cl)ccc1)C(=O)N(C)C2=O,[O-][N+](=O)c3cc(OC)ccc3N=NC2C(=O)N(c1cc(Cl)ccc1)C(=O)N(C)C2=O,"InChI=1/C18H14ClN5O6/c1-22-16(25)15(17(26)23(18(22)27)11-5-3-4-10(19)8-11)21-20-13-7-6-12(30-2)9-14(13)24(28)29/h3-9,15H,1-2H3",C18H14ClN5O6,,,,,,MRUWXPLBWROTCB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.820,217-401-3,1836-22-2,"Trisodium 2-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]benzoate","trisodium 2-[(2-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]benzoate",[Na+].[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H12N2O9S2.3Na/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",C17H12N2O9S2.3Na,,,,,,RBKBGHZMNFTKRE-UHFFFAOYSA-K,,,,,,,,,,,
100.028.573,231-429-3,7546-27-2,Calcium bis(3-hydroxy-4-methoxybenzenesulphonate),calcium bis(3-hydroxy-4-methoxybenzenesulfonate),[Ca+2].COc1ccc(cc1O)S(=O)(=O)[O-].COc2ccc(cc2O)S(=O)(=O)[O-],[Ca+2].COc1ccc(cc1O)S(=O)(=O)[O-].COc2ccc(cc2O)S(=O)(=O)[O-],"InChI=1/2C7H8O5S.Ca/c2*1-12-7-3-2-5(4-6(7)8)13(9,10)11;/h2*2-4,8H,1H3,(H,9,10,11);/q;;+2/p-2",C7H8O5S.1/2Ca,,,,,,WALXQRGOMGLHJR-UHFFFAOYSA-L,,,,,,,,,,,
100.028.578,231-435-6,7549-41-9,"Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate",CCCCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CCCCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3",C15H26O2,,,,,,ILUAVCBOWYHFAI-YWPYICTPSA-N,,,,,,,,,,,
100.028.581,231-438-2,7550-03-0,Ethyl 4-fluorophenylglycolate,ethyl (4-fluorophenyl)(hydroxy)acetate,CCOC(=O)C(O)c1ccc(F)cc1,CCOC(=O)C(O)c1ccc(F)cc1,"InChI=1/C10H11FO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3",C10H11FO3,,,,,,CNCGHQKCIUHNRW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.583,231-440-3,7550-39-2,5-chloromethyl-2-iminooxazoline,"5-(chloromethyl)-4,5-dihydro-1,3-oxazol-2-amine",NC1=NCC(CCl)O1,NC1=NCC(CCl)O1,"InChI=1/C4H7ClN2O/c5-1-3-2-7-4(6)8-3/h3H,1-2H2,(H2,6,7)",C4H7ClN2O,,,,,,ILLXLIKVXGHEOL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.589,231-447-1,7558-63-6,Ammonium L-glutamate,diammonium 2-aminopentanedioate,[NH4+].[NH4+].N[C@@H](CCC(=O)[O-])C(=O)[O-],[NH4+].[NH4+].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.2H3N/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1H3",C5H9NO4.H3N,,,,,,HCGIOFQTKHOCPM-QTNFYWBSSA-N,,,,,,,,,,,
100.028.592,231-450-8,8/04/7559,"2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-p-benzoquinone","2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-1,4-benzoquinone",CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C,CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C,"InChI=1/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3",C29H50O3,,,,,,LTVDFSLWFKLJDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.598,231-457-6,7562-87-0,(2-hydroxypropyl)trimethylammonium,"2-hydroxy-N,N,N-trimethylpropan-1-aminium",CC(O)C[N+](C)(C)C,CC(O)C[N+](C)(C)C,"InChI=1/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1",C6H16NO,,,,,,JPKKMFOXWKNEEN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.599,231-458-1,7563-33-9,Ammonium isovalerate,ammonium 3-methylbutanoate,[NH4+].CC(C)CC(=O)[O-],[NH4+].CC(C)CC(=O)[O-],"InChI=1/C5H10O2.H3N/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);1H3",C5H10O2.H3N,,,,,,RKCHCKMAQPJXBM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.603,231-462-3,7563-63-5,Sodium p-benzylphenolate,sodium 4-benzylphenolate,[Na+].[O-]c1ccc(Cc2ccccc2)cc1,[Na+].[O-]c1ccc(Cc2ccccc2)cc1,"InChI=1/C13H12O.Na/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9,14H,10H2;/q;+1/p-1",C13H12O.Na,,,,,,UGOOLIMBWSFDJH-UHFFFAOYSA-M,,,,,,,,,,,
100.028.607,231-467-0,7566-41-8,"4,4'-oxydi(benzenesulphonamide)","4,4'-oxydibenzenesulfonamide",NS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)N)cc1,NS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)N)cc1,"InChI=1/C12H12N2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)",C12H12N2O5S2,,,,,,OODSXPZTBWKLTE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.611,231-471-2,7570-45-8,N-ethylcarbazole-3-carbaldehyde,9-ethyl-9H-carbazole-3-carbaldehyde,CCn1c2ccccc2c3cc(C=O)ccc13,CCn1c2ccccc2c3cc(C=O)ccc13,"InChI=1/C15H13NO/c1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16/h3-10H,2H2,1H3",C15H13NO,,,,,,QGJXVBICNCIWEL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.181,230-999-0,7399-57-7,2-(4-chloro-2-methylphenoxy)acetamide,2-(4-chloro-2-methylphenoxy)acetamide,Cc1cc(Cl)ccc1OCC(=O)N,Cc1cc(Cl)ccc1OCC(=O)N,"InChI=1/C9H10ClNO2/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H2,11,12)",C9H10ClNO2,,,,,,GHAWJVBLTIWITR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.184,231-002-1,7400-45-5,Methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate,methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoate,COC(=O)CCSCC(=O)OC,COC(=O)CCSCC(=O)OC,"InChI=1/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3",C7H12O4S,,,,,,XNDKLLFGXIEGKL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.189,231-007-9,7403-42-1,4-methyl-4-phenylpentan-2-one,4-methyl-4-phenylpentan-2-one,CC(=O)CC(C)(C)c1ccccc1,CC(=O)CC(C)(C)c1ccccc1,"InChI=1/C12H16O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",C12H16O,,,,,,PFDVPCSDZXZDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.191,231-010-5,7404-50-4,[(aminoiminomethyl)thio]acetic acid,(carbamimidoylsulfanyl)acetic acid,NC(=N)SCC(=O)O,NC(=N)SCC(=O)O,"InChI=1/C3H6N2O2S/c4-3(5)8-1-2(6)7/h1H2,(H3,4,5)(H,6,7)",C3H6N2O2S,,,,,,BWUNQEXPLIAUOU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.192,231-011-0,7404-63-9,(2-thienylmethyl)ammonium chloride,2-thienylmethanaminium chloride,[Cl-].[NH3+]Cc1cccs1,[Cl-].[NH3+]Cc1cccs1,"InChI=1/C5H7NS.ClH/c6-4-5-2-1-3-7-5;/h1-3H,4,6H2;1H",C5H7NS.ClH,,,,,,NZYMHENLAOOTLV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.193,231-012-6,7404-68-4,"1H-indazole-5,6-diamine","2H-indazole-5,6-diamine",Nc1cc2c[nH]nc2cc1N,Nc1cc2c[nH]nc2cc1N,"InChI=1/C7H8N4/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,8-9H2,(H,10,11)",C7H8N4,,,,,,QJPUNSUXMNSPCN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.422,221-363-3,3077-37-0,"N,N-bis(2-hydroxyethyl)nonan-1-amide","N,N-bis(2-hydroxyethyl)nonanamide",CCCCCCCCC(=O)N(CCO)CCO,CCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C13H27NO3/c1-2-3-4-5-6-7-8-13(17)14(9-11-15)10-12-16/h15-16H,2-12H2,1H3",C13H27NO3,,,,,,WODYOUWSWYOPBP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.426,221-368-0,3079-28-5,1-(methylsulphinyl)decane,1-(methylsulfinyl)decane,CCCCCCCCCCS(=O)C,CCCCCCCCCCS(=O)C,"InChI=1/C11H24OS/c1-3-4-5-6-7-8-9-10-11-13(2)12/h3-11H2,1-2H3",C11H24OS,,,,,,NZJXADCEESMBPW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.429,221-371-7,3080-69-1,"2-hexyl-4-methyl-1,3-dioxane","2-hexyl-4-methyl-1,3-dioxane",CCCCCCC1OCCC(C)O1,CCCCCCC1OCCC(C)O1,"InChI=1/C11H22O2/c1-3-4-5-6-7-11-12-9-8-10(2)13-11/h10-11H,3-9H2,1-2H3",C11H22O2,,,,,,WHAXQUXICKDLJD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.433,221-375-9,3081-14-9,"N,N'-bis(1,4-dimethylpentyl)-p-phenylenediamine","N,N'-bis(1,4-dimethylpentyl)benzene-1,4-diamine",CC(C)CCC(C)Nc1ccc(NC(C)CCC(C)C)cc1,CC(C)CCC(C)Nc1ccc(NC(C)CCC(C)C)cc1,"InChI=1/C20H36N2/c1-15(2)7-9-17(5)21-19-11-13-20(14-12-19)22-18(6)10-8-16(3)4/h11-18,21-22H,7-10H2,1-6H3",C20H36N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13514,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.433,ZJNLYGOUHDJHMG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.436,221-379-0,3081-61-6,N-ethyl-L-glutamine,N-ethyl-L-glutamine,O=C(CC[C@H](N)C(O)=O)NCC,O=C(CC[C@H](N)C(O)=O)NCC,"InChI=1/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)",C7H14N2O3,,,,,,DATAGRPVKZEWHA-YFKPBYRVSA-N,,,,,,,,,,,
100.019.437,221-380-6,3082-75-5,Ethyl alaninate,ethyl alaninate,CCOC(=O)C(C)N,CCOC(=O)C(C)N,"InChI=1/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3",C5H11NO2,,,,,,ROBXZHNBBCHEIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.439,221-382-7,1/10/3083,"N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylethylenediamine","N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine",CN(C)CCN(C)CCN(C)CCN(C)C,CN(C)CCN(C)CCN(C)CCN(C)C,"InChI=1/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3",C12H30N4,,,,,,DWFKOMDBEKIATP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.441,221-384-8,3083-23-6,(trichloromethyl)oxirane,2-(trichloromethyl)oxirane,ClC(Cl)(Cl)C1CO1,ClC(Cl)(Cl)C1CO1,"InChI=1/C3H3Cl3O/c4-3(5,6)2-1-7-2/h2H,1H2",C3H3Cl3O,,,,,,VFEXYZINKMLLAK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.450,221-394-2,3085-30-1,Aluminium tributanolate,aluminum tributan-1-olate,CCCCO[Al](OCCCC)OCCCC,CCCCO[Al](OCCCC)OCCCC,"InChI=1/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3/rC12H27AlO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",C4H10O.1/3Al,,,,,,MYWQGROTKMBNKN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.456,221-401-9,3085-76-5,Diisopropylcyanamide,diisopropylcyanamide,CC(C)N(C#N)C(C)C,CC(C)N(C#N)C(C)C,"InChI=1/C7H14N2/c1-6(2)9(5-8)7(3)4/h6-7H,1-4H3",C7H14N2,,,,,,DGCUISYKMONQDH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.402,218-040-4,2040-95-1,Butylcyclopentane,butylcyclopentane,CCCCC1CCCC1,CCCCC1CCCC1,"InChI=1/C9H18/c1-2-3-6-9-7-4-5-8-9/h9H,2-8H2,1H3",C9H18,,,,,,ZAGHKONXGGSVDV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.404,218-043-0,2041-14-7,(2-aminoethyl)phosphonic acid,(2-aminoethyl)phosphonic acid,NCCP(=O)(O)O,NCCP(=O)(O)O,"InChI=1/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)",C2H8NO3P,,,,,,QQVDJLLNRSOCEL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.405,218-044-6,2042-14-0,3-nitro-p-cresol,4-methyl-3-nitrophenol,Cc1ccc(O)cc1[N+](=O)[O-],Cc1ccc(O)cc1[N+](=O)[O-],"InChI=1/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3",C7H7NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17070,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.405,BQEXDUKMTVYBRK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.410,218-049-3,2043-43-8,Lactamide,2-hydroxypropanamide,CC(O)C(=O)N,CC(O)C(=O)N,"InChI=1/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)",C3H7NO2,,,,,,SXQFCVDSOLSHOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.413,218-053-5,2043-53-0,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododecane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2",C10H4F17I,,,,,,XVKJSLBVVRCOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.422,218-062-4,2044-88-4,"N-methyl-2,4-dinitroaniline","N-methyl-2,4-dinitroaniline",CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3",C7H7N3O4,,,,,,IQEJEZOCXWJNKR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.426,218-067-1,2046-17-5,Methyl 4-phenylbutyrate,methyl 4-phenylbutanoate,COC(=O)CCCc1ccccc1,COC(=O)CCCc1ccccc1,"InChI=1/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3",C11H14O2,,,,,,YRYZGVBKMWFWGT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.429,218-070-8,2049-70-9,Diethyl ethylmethylmalonate,diethyl ethyl(methyl)malonate,CCOC(=O)C(C)(CC)C(=O)OCC,CCOC(=O)C(C)(CC)C(=O)OCC,"InChI=1/C10H18O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5-7H2,1-4H3",C10H18O4,,,,,,ODRGILDUWDVBJX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.039,223-142-7,3746-79-0,Disodium 5-hydroxy-6-[(4-sulphonatonaphthyl)azo]naphthalenesulphonate,disodium 5-hydroxy-6-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O)c3ccccc34,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O)c3ccccc34,"InChI=1/C20H14N2O7S2.2Na/c23-20-15-6-3-7-18(30(24,25)26)14(15)8-9-17(20)22-21-16-10-11-19(31(27,28)29)13-5-2-1-4-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H14N2O7S2.2Na,,,,,,UHHFZNRJXCHXJM-UHFFFAOYSA-L,,,,,,,,,,,
100.021.040,223-143-2,6/06/3747,N-[(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-N-phenylacetamide,"N-[(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-N-phenylacetamide",O=C2C(=CN(c1ccccc1)C(C)=O)SC(=S)N2CC,O=C2C(=CN(c1ccccc1)C(C)=O)SC(=S)N2CC,"InChI=1/C14H14N2O2S2/c1-3-15-13(18)12(20-14(15)19)9-16(10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3",C14H14N2O2S2,,,,,,UDXOKJLPZXUYPU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.042,223-145-3,3747-74-8,2-(chloromethyl)quinoline hydrochloride,2-(chloromethyl)quinoline hydrochloride,Cl.ClCc1ccc2ccccc2n1,Cl.ClCc1ccc2ccccc2n1,"InChI=1/C10H8ClN.ClH/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h1-6H,7H2;1H",C10H8ClN.ClH,,,,,,WDETYCRYUBGKCE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.052,223-156-3,3753-27-3,Sodium toluene-4-thiosulphonate,sodium 4-methylbenzenesulfonothioate,[Na+].Cc1ccc(cc1)S(=O)(=O)[S-],[Na+].Cc1ccc(cc1)S(=O)(=O)[S-],"InChI=1/C7H8O2S2.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",C7H8O2S2.Na,,,,,,HRILWXJIWQHJMT-UHFFFAOYSA-M,,,,,,,,,,,
100.021.055,223-160-5,3754-60-7,"1,1'-isopropylidenebis[4-(vinyloxy)benzene]","1,1'-propane-2,2-diylbis[4-(vinyloxy)benzene]",CC(C)(c1ccc(OC=C)cc1)c2ccc(OC=C)cc2,CC(C)(c1ccc(OC=C)cc1)c2ccc(OC=C)cc2,"InChI=1/C19H20O2/c1-5-20-17-11-7-15(8-12-17)19(3,4)16-9-13-18(14-10-16)21-6-2/h5-14H,1-2H2,3-4H3",C19H20O2,,,,,,YOTSWLOWHSUGIM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.057,223-162-6,3757-32-2,Isobutyl 4-oxovalerate,isobutyl 4-oxopentanoate,CC(C)COC(=O)CCC(=O)C,CC(C)COC(=O)CCC(=O)C,"InChI=1/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3",C9H16O3,,,,,,WETOYPNHZMSVFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.878,219-665-5,2494-55-5,Trimethyl(2-propionyloxyethyl)ammonium iodide,"N,N,N-trimethyl-2-(propionyloxy)ethanaminium iodide",[I-].CCC(=O)OCC[N+](C)(C)C,[I-].CCC(=O)OCC[N+](C)(C)C,"InChI=1/C8H18NO2.HI/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1",C8H18NO2.I,,,,,,ZMFGAUXLTPASPR-UHFFFAOYSA-M,,,,,,,,,,,
100.017.885,219-672-3,2495-27-4,Hexadecyl methacrylate,hexadecyl methacrylate,CCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3/h2,4-18H2,1,3H3",C20H38O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14951,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.885,ZNAOFAIBVOMLPV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.893,219-681-2,2497-21-4,Hex-4-en-3-one,hex-4-en-3-one,CCC(=O)C=CC,CCC(=O)C=CC,"InChI=1/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3",C6H10O,,,,,,FEWIGMWODIRUJM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.894,219-682-8,2497-59-8,"20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18-hexaoxaicosan-1-ol","20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18-hexaoxaicosan-1-ol",CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,"InChI=1/C28H50O8/c1-27(2,3)24-28(4,5)25-6-8-26(9-7-25)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29/h6-9,29H,10-24H2,1-5H3",C28H50O8,,,,,,HNLXNOZHXNSSPN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.897,219-685-4,4/02/2498,N-[2-(N-ethyl-m-toluidino)ethyl]phthalimide,"2-{2-[ethyl(3-methylphenyl)amino]ethyl}-1H-isoindole-1,3(2H)-dione",CCN(CCN1C(=O)c2ccccc2C1=O)c3cccc(C)c3,CCN(CCN1C(=O)c2ccccc2C1=O)c3cccc(C)c3,"InChI=1/C19H20N2O2/c1-3-20(15-8-6-7-14(2)13-15)11-12-21-18(22)16-9-4-5-10-17(16)19(21)23/h4-10,13H,3,11-12H2,1-2H3",C19H20N2O2,,,,,,BMYMLHZMMRCSDA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.899,219-688-0,2498-20-6,Tetrapentylammonium iodide,"N,N,N-tripentylpentan-1-aminium iodide",[I-].CCCCC[N+](CCCCC)(CCCCC)CCCCC,[I-].CCCCC[N+](CCCCC)(CCCCC)CCCCC,"InChI=1/C20H44N.HI/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1",C20H44N.I,,,,,,FBLZDUAOBOMSNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.017.901,219-690-1,2498-41-1,2'-deoxy-5-methylcytidine 5'-monophosphate,2'-deoxy-5-methyl-5'-O-phosphonatocytidine,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(=O)N=C1N,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(=O)N=C1N,"InChI=1/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/p-2",C10H16N3O7P,,,,,,RGDVNLHBCKWZDA-XLPZGREQSA-L,,,,,,,,,,,
100.017.903,219-692-2,2498-50-2,4-aminobenzamidine dihydrochloride,4-aminobenzenecarboximidamide dihydrochloride,Cl.Cl.NC(=N)c1ccc(N)cc1,Cl.Cl.NC(=N)c1ccc(N)cc1,"InChI=1/C7H9N3.2ClH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H",C7H9N3.2ClH,,,,,,GHEHNICLPWTXJC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.921,219-713-5,2506-41-4,2-(chloromethyl)naphthalene,2-(chloromethyl)naphthalene,ClCc1ccc2ccccc2c1,ClCc1ccc2ccccc2c1,"InChI=1/C11H9Cl/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2",C11H9Cl,,,,,,MPCHQYWZAVTABQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.821,217-402-9,1836-42-6,Benzyltriethylammonium hydroxide,"N-benzyl-N,N-diethylethanaminium hydroxide",[OH-].CC[N+](CC)(CC)Cc1ccccc1,[OH-].CC[N+](CC)(CC)Cc1ccccc1,"InChI=1/C13H22N.H2O/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H2/q+1;/p-1",C13H22N.HO,,,,,,FKPSBYZGRQJIMO-UHFFFAOYSA-M,,,,,,,,,,,
100.015.829,217-411-8,1838-13-7,(dimethylamino)borane,N-boryl-N-methylmethanamine,BN(C)C,BN(C)C,"InChI=1/C2H8BN/c1-4(2)3/h3H2,1-2H3",C2H8BN,,,,,,SDWBRBLWPQDUQP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.834,217-417-0,1839-63-0,"1,3,5-trimethylcyclohexane","1,3,5-trimethylcyclohexane",CC1CC(C)CC(C)C1,CC1CC(C)CC(C)C1,"InChI=1/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3",C9H18,,,,,,ODNRTOSCFYDTKF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.837,217-420-7,1843-03-4,"4,4',4''-(1-methylpropanyl-3-ylidene)tris[6-tert-butyl-m-cresol]","4,4',4''-butane-1,1,3-triyltris(2-tert-butyl-5-methylphenol)",CC(CC(c1cc(c(O)cc1C)C(C)(C)C)c2cc(c(O)cc2C)C(C)(C)C)c3cc(c(O)cc3C)C(C)(C)C,CC(CC(c1cc(c(O)cc1C)C(C)(C)C)c2cc(c(O)cc2C)C(C)(C)C)c3cc(c(O)cc3C)C(C)(C)C,"InChI=1/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3",C37H52O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5913,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.837,PRWJPWSKLXYEPD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.840,217-423-3,1844-09-3,Dioctadecyl sulphide,"1,1'-sulfanediyldioctadecane",CCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCC,"InChI=1/C36H74S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C36H74S,,,,,,IHWDIGHWDQPQMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.462,221-408-7,3086-91-7,2-amino-5-(aminosulphonyl)-4-chlorobenzoic acid,2-amino-4-chloro-5-sulfamoylbenzoic acid,Nc1cc(Cl)c(cc1C(=O)O)S(=O)(=O)N,Nc1cc(Cl)c(cc1C(=O)O)S(=O)(=O)N,"InChI=1/C7H7ClN2O4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)",C7H7ClN2O4S,,,,,,QQLJBZFXGDHSRU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.466,221-412-9,3087-39-6,Titanium(4+) 2-methylpropan-2-olate,titanium(4+) tetrakis(2-methylpropan-2-olate),[Ti+4].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-],[Ti+4].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-],"InChI=1/4C4H9O.Ti/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4",C4H10O.1/4Ti,,,,,,GRWPYGBKJYICOO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.467,221-413-4,3088-18-4,"1,1'-[oxybis(ethylenesulphonyl)]diethylene","1,1'-[oxybis(ethane-2,1-diylsulfonyl)]diethene",C=CS(=O)(=O)CCOCCS(=O)(=O)C=C,C=CS(=O)(=O)CCOCCS(=O)(=O)C=C,"InChI=1/C8H14O5S2/c1-3-14(9,10)7-5-13-6-8-15(11,12)4-2/h3-4H,1-2,5-8H2",C8H14O5S2,,,,,,OYTMCDCWKVWQET-UHFFFAOYSA-N,,,,,,,,,,,
100.019.471,221-418-1,3088-42-4,N-(2-cyanoethyl)glycine,N-(2-cyanoethyl)glycine,OC(=O)CNCCC#N,OC(=O)CNCCC#N,"InChI=1/C5H8N2O2/c6-2-1-3-7-4-5(8)9/h7H,1,3-4H2,(H,8,9)",C5H8N2O2,,,,,,KZUBZCHAWPDYQX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.474,221-421-8,3088-74-2,"[isopropylidenedicyclohexane-4,1-diyl]bis(tert-butyl) peroxide","1,1'-propane-2,2-diylbis[4-(tert-butylperoxy)cyclohexane]",CC(C)(C)OOC1CCC(CC1)C(C)(C)C2CCC(CC2)OOC(C)(C)C,CC(C)(C)OOC1CCC(CC1)C(C)(C)C2CCC(CC2)OOC(C)(C)C,"InChI=1/C23H44O4/c1-21(2,3)26-24-19-13-9-17(10-14-19)23(7,8)18-11-15-20(16-12-18)25-27-22(4,5)6/h17-20H,9-16H2,1-8H3",C23H44O4,,,,,,RHZOVXIYEDAUDL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.475,221-422-3,3089-11-0,Hexakis(methoxymethyl)melamine,"N,N,N',N',N'',N''-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine",COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC,COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC,"InChI=1/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3",C15H30N6O6,,,,,,BNCADMBVWNPPIZ-UHFFFAOYSA-N,Positive,SM881201,[M+H]+,HCD35,177.0884:283.1515:207.099,CASMI_2016,,,,,
100.019.477,221-424-4,3089-17-6,"2,9-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione","2,9-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione",Clc1ccc2Nc3cc4C(=O)c5cc(Cl)ccc5Nc4cc3C(=O)c2c1,Clc1ccc2Nc3cc4C(=O)c5cc(Cl)ccc5Nc4cc3C(=O)c2c1,"InChI=1/C20H10Cl2N2O2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-8H,(H,23,25)(H,24,26)",C20H10Cl2N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14471,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.477,XPZQBGDNVOHQIS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.479,221-427-0,3089-22-3,N-[2-(2-oxoimidazolidin-1-yl)ethyl]acrylamide,N-[2-(2-oxoimidazolidin-1-yl)ethyl]acrylamide,C=CC(=O)NCCN1CCNC1=O,C=CC(=O)NCCN1CCNC1=O,"InChI=1/C8H13N3O2/c1-2-7(12)9-3-5-11-6-4-10-8(11)13/h2H,1,3-6H2,(H,9,12)(H,10,13)",C8H13N3O2,,,,,,AEOWXQHGSWPUER-UHFFFAOYSA-N,,,,,,,,,,,
100.019.488,221-437-5,3091-32-5,Chlorotricyclohexylstannane,chloro(tricyclohexyl)stannane,Cl[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3,Cl[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3,"InChI=1/3C6H11.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1/rC18H33ClSn/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2",C18H33ClSn,,,,,,OJVZYIKTLISAIH-UHFFFAOYSA-M,,,,,,,,,,,
100.019.498,221-448-5,3096-70-6,"4-amino-3,5-xylenol","4-amino-3,5-dimethylphenol",Cc1cc(O)cc(C)c1N,Cc1cc(O)cc(C)c1N,"InChI=1/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3",C8H11NO,,,,,,GCWYXRHXGLFVFE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.195,231-014-7,7407-59-2,2-methyl-2-butenedioic acid,2-methylbut-2-enedioic acid,OC(=O)C=C(C)C(O)=O,OC(=O)C=C(C)C(O)=O,"InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)",C5H6O4,,,,,,HNEGQIOMVPPMNR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.200,231-019-4,7412-78-4,N-glycyl-L-glutamic acid,glycyl-L-glutamic acid,NCC(=O)N[C@@H](CCC(=O)O)C(=O)O,NCC(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)",C7H12N2O5,,,,,,IEFJWDNGDZAYNZ-BYPYZUCNSA-N,,,,,,,,,,,
100.028.201,231-021-5,7/02/7413,"3a,4,7,7a-tetrahydro-4-methyl-1H-indene","4-methyl-3a,4,7,7a-tetrahydro-1H-indene",CC1C=CCC2CC=CC12,CC1C=CCC2CC=CC12,"InChI=1/C10H14/c1-8-4-2-5-9-6-3-7-10(8)9/h2-4,7-10H,5-6H2,1H3",C10H14,,,,,,YVLGRGCYQOZGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.202,231-022-0,7413-34-5,"Disodium N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate","disodium 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)amino]pentanedioate",[Na+].[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);;/q;2*+1/p-2",C20H22N8O5.2Na,,,,,,DASQOOZCTWOQPA-GXKRWWSZSA-L,,,,,,,,,,,
100.028.213,231-034-6,7417-99-4,"N,N'-(methylenedi-p-phenylene)bis(aziridine-1-carboxamide)","N,N'-(methylenedi-4,1-phenylene)diaziridine-1-carboxamide",O=C(Nc1ccc(Cc2ccc(NC(=O)N3CC3)cc2)cc1)N4CC4,O=C(Nc1ccc(Cc2ccc(NC(=O)N3CC3)cc2)cc1)N4CC4,"InChI=1/C19H20N4O2/c24-18(22-9-10-22)20-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)21-19(25)23-11-12-23/h1-8H,9-13H2,(H,20,24)(H,21,25)",C19H20N4O2,,,,,,XECQDYXJWMHGBI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.216,231-037-2,7418-20-4,"2,2,5,5-tetramethyl-1-oxa-2,5-disilacyclopentane","2,2,5,5-tetramethyl-1,2,5-oxadisilolane",C[Si]1(C)CC[Si](C)(C)O1,C[Si]1(C)CC[Si](C)(C)O1,"InChI=1/C6H16OSi2/c1-8(2)5-6-9(3,4)7-8/h5-6H2,1-4H3",C6H16OSi2,,,,,,ZJWXCSUSULCHCK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.217,231-038-8,7/07/7420,3-(2-butoxyethoxy)propionic acid,3-(2-butoxyethoxy)propanoic acid,CCCCOCCOCCC(=O)O,CCCCOCCOCCC(=O)O,"InChI=1/C9H18O4/c1-2-3-5-12-7-8-13-6-4-9(10)11/h2-8H2,1H3,(H,10,11)",C9H18O4,,,,,,YOFIXNJYRMEPFD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.220,231-041-4,7420-87-3,2-methylglutaraldehyde,2-methylpentanedial,CC(CCC=O)C=O,CC(CCC=O)C=O,"InChI=1/C6H10O2/c1-6(5-8)3-2-4-7/h4-6H,2-3H2,1H3",C6H10O2,,,,,,IQKPRZPVTQHVOY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.021,229-722-6,6683-19-8,"Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)","3-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}-2,2-bis({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate (non-preferred name)",CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)COC(=O)CCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)COC(=O)CCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3",C73H108O12,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15308,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.021,BGYHLZZASRKEJE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.026,229-727-3,6684-20-4,"2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl benzoate","2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}ethyl benzoate",CCN(CCOC(=O)c1ccccc1)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCOC(=O)c1ccccc1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C22H21N3O2/c1-3-25(11-12-27-22(26)19-7-5-4-6-8-19)21-10-9-20(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3",C22H21N3O2,,,,,,WKTUAHDEZZJAIH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.041,229-744-6,6700-85-2,"Octanoic acid, cobalt salt",-,[Co+2].CCCCCCCC(=O)[O-],[Co+2].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Co/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+2/p-1",C8H16O2.xCo,,,,,,SQJCNZCGYOSQMV-UHFFFAOYSA-M,,,,,,,,,,,
100.027.042,229-745-1,6701-13-9,"1,10-decanediyl bismethacrylate","decane-1,10-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C,CC(=C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C18H30O4/c1-15(2)17(19)21-13-11-9-7-5-6-8-10-12-14-22-18(20)16(3)4/h1,3,5-14H2,2,4H3",C18H30O4,,,,,,LRZPQLZONWIQOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.044,229-747-2,6701-16-2,Heptyl 2-cyanoacrylate,heptyl 2-cyanoacrylate,CCCCCCCOC(=O)C(=C)C#N,CCCCCCCOC(=O)C(=C)C#N,"InChI=1/C11H17NO2/c1-3-4-5-6-7-8-14-11(13)10(2)9-12/h2-8H2,1H3",C11H17NO2,,,,,,WVXQYJXDTJWWEA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.046,229-749-3,5/05/6703,Arabinaric acid,D-threo-pentaric acid,OC([C@H](O)C(=O)O)[C@H](O)C(=O)O,OC([C@H](O)C(=O)O)[C@H](O)C(=O)O,"InChI=1/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)",C5H8O7,,,,,,NPTTZSYLTYJCPR-HRFVKAFMSA-N,,,,,,,,,,,
100.016.430,218-071-3,2049-73-2,"1,3-diethoxybenzene","1,3-diethoxybenzene",CCOc1cccc(OCC)c1,CCOc1cccc(OCC)c1,"InChI=1/C10H14O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h5-8H,3-4H2,1-2H3",C10H14O2,,,,,,MKGFYMKFBCWNCP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.431,218-072-9,2049-80-1,Diethyl allylmalonate,diethyl allylmalonate,CCOC(=O)C(CC=C)C(=O)OCC,CCOC(=O)C(CC=C)C(=O)OCC,"InChI=1/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3",C10H16O4,,,,,,GDWAYKGILJJNBB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.433,218-075-5,2049-94-7,Isopentylbenzene,(3-methylbutyl)benzene,CC(C)CCc1ccccc1,CC(C)CCc1ccccc1,"InChI=1/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C11H16,,,,,,XNXIYYFOYIUJIW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.435,218-077-6,2049-96-9,Pentyl benzoate,pentyl benzoate,CCCCCOC(=O)c1ccccc1,CCCCCOC(=O)c1ccccc1,"InChI=1/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3",C12H16O2,,,,,,QKNZNUNCDJZTCH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.436,218-078-1,3/01/2050,3-methylbutyl isobutyrate,3-methylbutyl 2-methylpropanoate,CC(C)CCOC(=O)C(C)C,CC(C)CCOC(=O)C(C)C,"InChI=1/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,VFTGLSWXJMRZNB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.437,218-079-7,9/07/2050,4-methyl-1-phenylpentan-1-one,4-methyl-1-phenylpentan-1-one,CC(C)CCC(=O)c1ccccc1,CC(C)CCC(=O)c1ccccc1,"InChI=1/C12H16O/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O,,,,,,WRJZDDJYWWJLIS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.446,218-089-1,2050-46-6,"1,2-diethoxybenzene","1,2-diethoxybenzene",CCOc1ccccc1OCC,CCOc1ccccc1OCC,"InChI=1/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3",C10H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12558,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.446,QZYDOKBVZJLQCK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.827,221-809-7,3240-72-0,"5,6-diaminouracil","5,6-diaminopyrimidine-2,4(1H,3H)-dione",NC1=C(N)C(=O)NC(=O)N1,NC1=C(N)C(=O)NC(=O)N1,"InChI=1/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)",C4H6N4O2,,,,,,BBTNLADSUVOPPN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.829,221-811-8,3241-23-4,Nonadecan-10-amine,nonadecan-10-amine,CCCCCCCCCC(N)CCCCCCCCC,CCCCCCCCCC(N)CCCCCCCCC,"InChI=1/C19H41N/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h19H,3-18,20H2,1-2H3",C19H41N,,,,,,DEKCSXCNXGALFT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.830,221-812-3,8/08/3242,1-methyl-4-(1-methylethylidene)-2-(1-methylvinyl)-1-vinylcyclohexane,2-isopropenyl-4-isopropylidene-1-methyl-1-vinylcyclohexane,CC(=C1CCC(C)(C=C)C(C1)C(=C)C)C,CC(=C1CCC(C)(C=C)C(C1)C(=C)C)C,"InChI=1/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3",C15H24,,,,,,BQSLMQNYHVFRDT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.833,221-816-5,3244-88-0,"3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid","2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate",[O-]S(=O)(=O)c1cc(ccc1N)C(c2cc(C)c(N)c(c2)S([O-])(=O)=O)=C/3/C=C\\C\\C(=C\\3)S(O)(=O)=O,[O-]S(=O)(=O)c1cc(ccc1N)C(c2cc(C)c(N)c(c2)S([O-])(=O)=O)=C/3/C=C\C\C(=C\3)S(O)(=O)=O,"InChI=1/C20H20N2O9S3/c1-11-7-14(10-18(20(11)22)34(29,30)31)19(12-3-2-4-15(8-12)32(23,24)25)13-5-6-16(21)17(9-13)33(26,27)28/h2-3,5-10H,4,21-22H2,1H3,(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-2",C20H19N3O9S3.2Na,,,,,,FWKVTXCCTRONHI-UHFFFAOYSA-L,,,,,,,,,,,
100.019.834,221-817-0,3244-90-4,"O,O,O',O'-tetrapropyl pyrophosphorothioate","O,O,O,O-tetrapropyl dithiodiphosphate",CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC,CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC,"InChI=1/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3",C12H28O5P2S2,,,,,,IIDFEIDMIKSJSV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.835,221-818-6,3245-23-6,p-ethylphenyl acetate,4-ethylphenyl acetate,CCc1ccc(OC(=O)C)cc1,CCc1ccc(OC(=O)C)cc1,"InChI=1/C10H12O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h4-7H,3H2,1-2H3",C10H12O2,,,,,,ANMYMLIUCWWISO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.839,221-822-8,3247-00-5,"4,4',4''-trimethyltrityl alcohol",tris(4-methylphenyl)methanol,Cc1ccc(cc1)C(O)(c2ccc(C)cc2)c3ccc(C)cc3,Cc1ccc(cc1)C(O)(c2ccc(C)cc2)c3ccc(C)cc3,"InChI=1/C22H22O/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,23H,1-3H3",C22H22O,,,,,,DNWQXZDDISHGRM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.840,221-823-3,7/10/3247,"Aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methyl ester, (5a,12ß,19a)-","methyl 2,3-didehydroaspidospermidine-3-carboxylate",CC[C@@]12CCCN3CC[C@]4([C@H]13)C(=C(C2)C(=O)OC)Nc5ccccc45,CC[C@@]12CCCN3CC[C@]4([C@H]13)C(=C(C2)C(=O)OC)Nc5ccccc45,"InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3",C21H26N2O2,,,,,,GIGFIWJRTMBSRP-PCCBWWKXSA-N,,,,,,,,,,,
100.019.843,221-827-5,3/05/3248,"4,7-dimethyl-1,10-phenanthroline","4,7-dimethyl-1,10-phenanthroline",Cc1ccnc2c1ccc3c(C)ccnc23,Cc1ccnc2c1ccc3c(C)ccnc23,"InChI=1/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3",C14H12N2,,,,,,JIVLDFFWTQYGSR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.180,224-397-7,4342-30-7,Tributylstannyl salicylate,2-{[(tributylstannyl)oxy]carbonyl}phenol,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1O,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1O,"InChI=1/C7H6O3.3C4H9.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC19H32O3Sn/c1-4-7-14-23(15-8-5-2,16-9-6-3)22-19(21)17-12-10-11-13-18(17)20/h10-13,20H,4-9,14-16H2,1-3H3",C19H32O3Sn,,,,,,ZSMRBQSZBQBLKB-UHFFFAOYSA-M,,,,,,,,,,,
100.022.184,224-401-7,4343-73-1,"Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate","ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate",CCOC(=O)c1nn[nH]c1C,CCOC(=O)c1nn[nH]c1C,"InChI=1/C6H9N3O2/c1-3-11-6(10)5-4(2)7-9-8-5/h3H2,1-2H3,(H,7,8,9)",C6H9N3O2,,,,,,AVSQIANZTCVZNC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.189,224-406-4,4346-48-9,Potassium 3-nitrobenzenesulphonate,potassium 3-nitrobenzenesulfonate,[K+].[O-][N+](=O)c1cccc(c1)S(=O)(=O)[O-],[K+].[O-][N+](=O)c1cccc(c1)S(=O)(=O)[O-],"InChI=1/C6H5NO5S.K/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1",C6H5NO5S.K,,,,,,DLEHLSMKGHBFJC-UHFFFAOYSA-M,,,,,,,,,,,
100.022.191,224-409-0,4347-18-6,4-oxo-L-proline,4-oxo-L-proline,OC(=O)[C@@H]1CC(=O)CN1,OC(=O)[C@@H]1CC(=O)CN1,"InChI=1/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)",C5H7NO3,,,,,,HFXAFXVXPMUQCQ-BYPYZUCNSA-N,,,,,,,,,,,
100.022.198,224-416-9,4351-55-7,Cholest-5-en-3ß-yl formate,cholest-5-en-3-yl formate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC=O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC=O,"InChI=1/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3",C28H46O2,,,,,,YEYCQJVCAMFWCO-PXBBAZSNSA-N,,,,,,,,,,,
100.022.200,224-419-5,4352-42-5,a-propylcyclohexanemethanol,1-cyclohexylbutan-1-ol,CCCC(O)C1CCCCC1,CCCC(O)C1CCCCC1,"InChI=1/C10H20O/c1-2-6-10(11)9-7-4-3-5-8-9/h9-11H,2-8H2,1H3",C10H20O,,,,,,MTUCYAOJXPTLHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.209,224-428-4,4355-15-1,"2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile","2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile",O=C1NC(=O)C(C#N)C2(CCCCC2)C1C#N,O=C1NC(=O)C(C#N)C2(CCCCC2)C1C#N,"InChI=1/C12H13N3O2/c13-6-8-10(16)15-11(17)9(7-14)12(8)4-2-1-3-5-12/h8-9H,1-5H2,(H,15,16,17)",C12H13N3O2,,,,,,YDDZHTSOBDNNMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.210,224-430-5,4356-32-5,Methyl 3ß-hydroxy-20-oxo-30-norlupan-28-oate,"methyl 1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate",COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=O)C,COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=O)C,"InChI=1/C30H48O4/c1-18(31)19-10-15-30(25(33)34-7)17-16-28(5)20(24(19)30)8-9-22-27(4)13-12-23(32)26(2,3)21(27)11-14-29(22,28)6/h19-24,32H,8-17H2,1-7H3",C30H48O4,,,,,,ZHIVKEAQDLRABF-FZFNOLFKSA-N,,,,,,,,,,,
100.022.214,224-434-7,4358-87-6,Methyl (±)-glycolate,methyl hydroxy(phenyl)acetate,COC(=O)C(O)c1ccccc1,COC(=O)C(O)c1ccccc1,"InChI=1/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3",C9H10O3,,,,,,ITATYELQCJRCCK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.215,224-435-2,4359-46-0,"2-ethyl-4-methyl-1,3-dioxolane","2-ethyl-4-methyl-1,3-dioxolane",CCC1OCC(C)O1,CCC1OCC(C)O1,"InChI=1/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3",C6H12O2,,,,,,CSZCLQLJVFLXLI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.223,224-444-1,2/06/4361,Isobutylmalonic acid,isobutylmalonic acid,CC(C)CC(C(=O)O)C(=O)O,CC(C)CC(C(=O)O)C(=O)O,"InChI=1/C7H12O4/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,FTKIARCSSZWRFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.009,216-509-8,1604-34-8,"6,10-dimethylundecan-2-one","6,10-dimethylundecan-2-one",CC(C)CCCC(C)CCCC(=O)C,CC(C)CCCC(C)CCCC(=O)C,"InChI=1/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3",C13H26O,,,,,,RBGLEUBCAJNCTR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.010,216-510-3,1604-35-9,"3,7,11-trimethyldodecyn-3-ol","3,7,11-trimethyldodec-1-yn-3-ol",CC(C)CCCC(C)CCCC(C)(O)C#C,CC(C)CCCC(C)CCCC(C)(O)C#C,"InChI=1/C15H28O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,13-14,16H,7-12H2,2-5H3",C15H28O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17661,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.010,OWRXWSVBJIIORE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.012,216-512-4,1604-42-8,"1,6-dinitroanthraquinone","1,6-dinitro-9,10-anthraquinone",[O-][N+](=O)c1ccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c2c1,[O-][N+](=O)c1ccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c2c1,InChI=1/C14H6N2O6/c17-13-9-2-1-3-11(16(21)22)12(9)14(18)8-5-4-7(15(19)20)6-10(8)13/h1-6H,C14H6N2O6,,,,,,UQKJUEALIQRECQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.026,216-528-1,1606-96-8,Triisobutyl phosphite,triisobutyl phosphite,CC(C)COP(OCC(C)C)OCC(C)C,CC(C)COP(OCC(C)C)OCC(C)C,"InChI=1/C12H27O3P/c1-10(2)7-13-16(14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27O3P,,,,,,NURJXHUITUPBOD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.031,216-533-9,1608-14-6,Tetramethyloxamide,"N,N,N',N'-tetramethylethanediamide",CN(C)C(=O)C(=O)N(C)C,CN(C)C(=O)C(=O)N(C)C,InChI=1/C6H12N2O2/c1-7(2)5(9)6(10)8(3)4/h1-4H3,C6H12N2O2,,,,,,GJTUWWUXLICYQX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.040,216-543-3,1609-66-1,N-phenyl-N-piperidin-4-ylpropionamide,N-phenyl-N-piperidin-4-ylpropanamide,CCC(=O)N(C1CCNCC1)c2ccccc2,CCC(=O)N(C1CCNCC1)c2ccccc2,"InChI=1/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3",C14H20N2O,,,,,,PMCBDBWCQQBSRJ-UHFFFAOYSA-N,Positive,AU155201|AU155202|AU155203|AU155204|AU155205;EQ361201|EQ361202|EQ361203|EQ361204|EQ361205|EQ361206|EQ361207|EQ361208|EQ361209,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,233.1648:177.1376:235.1704|233.1643:150.0902:177.1376|150.0901:177.1376:132.0797|150.0904:132.0796:120.0808|150.0897:130.0653:132.0801;233.1645:84.0807:177.1384|84.0807:233.1645:177.1384|84.0806:56.0494:233.1646|84.0807:56.0494:55.0542|84.0807:55.0542:56.0494|55.0542:56.0494:84.0807|55.0542:56.0494:94.0651|55.0542:56.0494:53.0386|55.0542:56.0494:53.0386,Athens_Univ;Eawag,,,,,
100.021.129,223-241-5,3779-61-1,"(E)-3,7-dimethylocta-1,3,6-triene","3,7-dimethylocta-1,3,6-triene",CC(=CC\\C=C(/C)\\C=C)C,CC(=CC\C=C(/C)\C=C)C,"InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3",C10H16,,,,,,IHPKGUQCSIINRJ-CSKARUKUSA-N,,,,,,,,,,,
100.021.131,223-243-6,3780-50-5,p-(octyloxy)phenol,4-(octyloxy)phenol,CCCCCCCCOc1ccc(O)cc1,CCCCCCCCOc1ccc(O)cc1,"InChI=1/C14H22O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11,15H,2-7,12H2,1H3",C14H22O2,,,,,,HFRUPPHPJRZOCM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.454,218-098-0,2050-72-8,"1,6-dichloronaphthalene","1,6-dichloronaphthalene",Clc1ccc2c(Cl)cccc2c1,Clc1ccc2c(Cl)cccc2c1,InChI=1/C10H6Cl2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H,C10H6Cl2,,,,,,CEDZMDSZTVUPSP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.455,218-099-6,2050-73-9,"1,7-dichloronaphthalene","1,7-dichloronaphthalene",Clc1ccc2cccc(Cl)c2c1,Clc1ccc2cccc(Cl)c2c1,InChI=1/C10H6Cl2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H,C10H6Cl2,,,,,,VQBIYCQGHAHVPN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.457,218-102-0,2050-75-1,"2,3-dichloronaphthalene","2,3-dichloronaphthalene",Clc1cc2ccccc2cc1Cl,Clc1cc2ccccc2cc1Cl,InChI=1/C10H6Cl2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,C10H6Cl2,,,,,,SKGXUFZRYNGFJS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.458,218-103-6,2050-76-2,"2,4-dichloro-1-naphthol","2,4-dichloro-1-naphthol",Oc1c(Cl)cc(Cl)c2ccccc12,Oc1c(Cl)cc(Cl)c2ccccc12,"InChI=1/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H",C10H6Cl2O,,,,,,HVLJEMXDXOTWLV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.460,218-105-7,2050-82-0,"3,5,5-trimethylhept-3-ene","3,5,5-trimethylhept-3-ene",CC(C)(CC)C=C(C)CC,CC(C)(CC)C=C(C)CC,"InChI=1/C10H20/c1-6-9(3)8-10(4,5)7-2/h8H,6-7H2,1-5H3",C10H20,,,,,,LREOTMWEDRBPMG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.465,218-110-4,2050-99-9,"2,8-dimethylnonan-5-one","2,8-dimethylnonan-5-one",CC(C)CCC(=O)CCC(C)C,CC(C)CCC(=O)CCC(C)C,"InChI=1/C11H22O/c1-9(2)5-7-11(12)8-6-10(3)4/h9-10H,5-8H2,1-4H3",C11H22O,,,,,,JQCWLRHNAHIIGW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.466,218-112-5,2051-00-5,Diisopentyl oxalate,bis(3-methylbutyl) oxalate,CC(C)CCOC(=O)C(=O)OCCC(C)C,CC(C)CCOC(=O)C(=O)OCCC(C)C,"InChI=1/C12H22O4/c1-9(2)5-7-15-11(13)12(14)16-8-6-10(3)4/h9-10H,5-8H2,1-4H3",C12H22O4,,,,,,HCUOPEBHVAVNIE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.475,218-121-4,2051-49-2,Hexanoic anhydride,hexanoic anhydride,CCCCCC(=O)OC(=O)CCCCC,CCCCCC(=O)OC(=O)CCCCC,"InChI=1/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3",C12H22O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6186,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.475,PKHMTIRCAFTBDS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.484,218-131-9,2051-85-6,4-(phenylazo)resorcinol,"4-(phenyldiazenyl)benzene-1,3-diol",Oc2cc(O)ccc2N=Nc1ccccc1,Oc2cc(O)ccc2N=Nc1ccccc1,"InChI=1/C12H10N2O2/c15-10-6-7-11(12(16)8-10)14-13-9-4-2-1-3-5-9/h1-8,15-16H",C12H10N2O2,,,,,,BPTKLSBRRJFNHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.002,219-801-3,2536-91-6,6-methylbenzothiazol-2-ylamine,"6-methyl-1,3-benzothiazol-2-amine",Cc1ccc2nc(N)sc2c1,Cc1ccc2nc(N)sc2c1,"InChI=1/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)",C8H8N2S,,,,,,DZWTXWPRWRLHIL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.870,221-856-3,3257-28-1,"Disodium 6-[(2,4-dimethyl-6-sulphonatophenyl)azo]-5-hydroxynaphthalene-1-sulphonate","disodium 6-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc(C)cc(C)c3N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc(C)cc(C)c3N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O,"InChI=1/C18H16N2O7S2.2Na/c1-10-8-11(2)17(16(9-10)29(25,26)27)20-19-14-7-6-12-13(18(14)21)4-3-5-15(12)28(22,23)24;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H16N2O7S2.2Na,,,,,,UEUGTXFKMNWFRE-UHFFFAOYSA-L,,,,,,,,,,,
100.019.873,221-860-5,3260-85-3,4-chloro-2-methylanisole,4-chloro-1-methoxy-2-methylbenzene,COc1ccc(Cl)cc1C,COc1ccc(Cl)cc1C,"InChI=1/C8H9ClO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3",C8H9ClO,,,,,,VDYDAUQHTVCCBX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.507,224-756-8,4477-28-5,4-anilinobenzenediazonium hydrogen sulphate,4-anilinobenzenediazonium hydrogen sulfate,[O-]S(=O)(=O)[O-].N#[N+]c1ccc(Nc2ccccc2)cc1,[O-]S(=O)(=O)[O-].N#[N+]c1ccc(Nc2ccccc2)cc1,"InChI=1/C12H10N3.H2O4S/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-5(2,3)4/h1-9,14H;(H2,1,2,3,4)/q+1;/p-2",C12H10N3.HO4S,,,,,,FMRQRWPEQSPSDG-UHFFFAOYSA-L,,,,,,,,,,,
100.022.512,224-762-0,4481-69-0,"15,15'-didehydro-ß,ß-carotene","15,15'-didehydro-beta,beta-carotene",C\\C(=C/C=C/C(=C/C#C\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C)/C)\\C=C\\C2=C(C)CCCC2(C)C,C\C(=C/C=C/C(=C/C#C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)/C)\C=C\C2=C(C)CCCC2(C)C,"InChI=1/C40H54/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h13-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3",C40H54,,,,,,USOYOVIXFHOMRI-AYPYYXBOSA-N,,,,,,,,,,,
100.022.514,224-764-1,4482-25-1,"5,5'-[(4-methyl-1,3-phenylene)bis(azo)]bis[toluene-2,4-diamine]","4,4'-[(4-methyl-1,3-phenylene)didiazene-2,1-diyl]bis(6-methylbenzene-1,3-diamine)",Cc3cc(N=Nc2cc(N=Nc1cc(C)c(N)cc1N)c(C)cc2)c(N)cc3N,Cc3cc(N=Nc2cc(N=Nc1cc(C)c(N)cc1N)c(C)cc2)c(N)cc3N,"InChI=1/C21H24N8/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25/h4-10H,22-25H2,1-3H3",C21H24N8,,,,,,SOJKLCSQJMPLCK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.049,229-753-5,6706-75-8,"1,1'-[[(2-chlorophenyl)methylene]bis[(2,5-dimethyl-4,1-phenylene)azo]]bis(2-naphthol)","1,1'-{[(2-chlorophenyl)methylene]bis[(2,5-dimethyl-4,1-phenylene)diazene-2,1-diyl]}di(2-naphthol)",Clc7ccccc7C(c3cc(C)c(N=Nc1c2ccccc2ccc1O)cc3C)c6cc(C)c(N=Nc4c5ccccc5ccc4O)cc6C,Clc7ccccc7C(c3cc(C)c(N=Nc1c2ccccc2ccc1O)cc3C)c6cc(C)c(N=Nc4c5ccccc5ccc4O)cc6C,"InChI=1/C43H35ClN4O2/c1-25-23-37(45-47-42-31-13-7-5-11-29(31)17-19-39(42)49)27(3)21-34(25)41(33-15-9-10-16-36(33)44)35-22-28(4)38(24-26(35)2)46-48-43-32-14-8-6-12-30(32)18-20-40(43)50/h5-24,41,49-50H,1-4H3",C43H35ClN4O2,,,,,,RJSNDQUKUMPPJN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.050,229-754-0,6706-82-7,"2,2'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4-cyclohexylphenol]","2,2'-{cyclohexane-1,1-diylbis[(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis(4-cyclohexylphenol)",Oc6ccc(cc6N=Nc1ccc(cc1C)C2(CCCCC2)c5cc(C)c(N=Nc3cc(ccc3O)C4CCCCC4)cc5)C7CCCCC7,Oc6ccc(cc6N=Nc1ccc(cc1C)C2(CCCCC2)c5cc(C)c(N=Nc3cc(ccc3O)C4CCCCC4)cc5)C7CCCCC7,"InChI=1/C44H52N4O2/c1-30-26-36(18-20-38(30)45-47-40-28-34(16-22-42(40)49)32-12-6-3-7-13-32)44(24-10-5-11-25-44)37-19-21-39(31(2)27-37)46-48-41-29-35(17-23-43(41)50)33-14-8-4-9-15-33/h16-23,26-29,32-33,49-50H,3-15,24-25H2,1-2H3",C44H52N4O2,,,,,,QMPUCZGGNKXEQF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.051,229-755-6,6707-60-4,12-oxahexadecan-16-olide,"1,6-dioxacycloheptadecan-7-one",O=C1CCCCCCCCCCOCCCCO1,O=C1CCCCCCCCCCOCCCCO1,InChI=1/C15H28O3/c16-15-11-7-5-3-1-2-4-6-8-12-17-13-9-10-14-18-15/h1-14H2,C15H28O3,,,,,,MRMOPGVGWFNHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.063,229-768-7,6714-00-7,Hept-5-en-2-one,hept-5-en-2-one,CC(=O)CCC=CC,CC(=O)CCC=CC,"InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3",C7H12O,,,,,,RTYRONIMTRDBLT-UHFFFAOYSA-N,,,,,,,,,,,
100.027.064,229-769-2,6714-29-0,"2,3-dihydro-1H-imidazo[1,2-b]pyrazole","2,3-dihydro-1H-imidazo[1,2-b]pyrazole",C1Cn2nccc2N1,C1Cn2nccc2N1,"InChI=1/C5H7N3/c1-2-7-8-4-3-6-5(1)8/h1-2,6H,3-4H2",C5H7N3,,,,,,KPMVHELZNRNSMN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.978,227-475-9,5856-62-2,(+)-2-amino-1-butanol,2-aminobutan-1-ol,CCC(N)CO,CCC(N)CO,"InChI=1/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3",C4H11NO,,,,,,JCBPETKZIGVZRE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.979,227-476-4,5856-63-3,(R)-2-aminobutan-1-ol,2-aminobutan-1-ol,CC[C@@H](N)CO,CC[C@@H](N)CO,"InChI=1/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3",C4H11NO,,,,,,JCBPETKZIGVZRE-SCSAIBSYSA-N,,,,,,,,,,,
100.024.982,227-480-6,5857-00-1,"2,4,6-tributylphenol","2,4,6-tributylphenol",CCCCc1cc(CCCC)c(O)c(CCCC)c1,CCCCc1cc(CCCC)c(O)c(CCCC)c1,"InChI=1/C18H30O/c1-4-7-10-15-13-16(11-8-5-2)18(19)17(14-15)12-9-6-3/h13-14,19H,4-12H2,1-3H3",C18H30O,,,,,,KHWQFISNNNRGLV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.984,227-482-7,5857-94-3,3-amino-5-chloro-4-hydroxybenzenesulphonic acid,3-amino-5-chloro-4-hydroxybenzenesulfonic acid,Nc1cc(cc(Cl)c1O)S(=O)(=O)O,Nc1cc(cc(Cl)c1O)S(=O)(=O)O,"InChI=1/C6H6ClNO4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,8H2,(H,10,11,12)",C6H6ClNO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17122,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.984,QGTXBWMKRGHPDD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.989,227-487-4,5858-19-5,"5,7-dichloro-4-methylbenzo[b]thiophene-3(2H)-one","5,7-dichloro-4-methyl-1-benzothiophen-3(2H)-one",Cc1c(Cl)cc(Cl)c2SCC(=O)c12,Cc1c(Cl)cc(Cl)c2SCC(=O)c12,"InChI=1/C9H6Cl2OS/c1-4-5(10)2-6(11)9-8(4)7(12)3-13-9/h2H,3H2,1H3",C9H6Cl2OS,,,,,,PYRFUPKTUOWRGF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.994,227-493-7,5858-53-7,Sodium 5-hydroxy-6-(naphthylazo)naphthalenesulphonate,sodium 5-hydroxy-6-(1-naphthyldiazenyl)naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc2cccc1ccccc12)c3O,[Na+].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc2cccc1ccccc12)c3O,"InChI=1/C20H14N2O4S.Na/c23-20-16-8-4-10-19(27(24,25)26)15(16)11-12-18(20)22-21-17-9-3-6-13-5-1-2-7-14(13)17;/h1-12,23H,(H,24,25,26);/q;+1/p-1",C20H14N2O4S.Na,,,,,,IDVNZMQMDGSYNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.024.997,227-496-3,5858-63-9,"Disodium 4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2,7-disulphonate","disodium 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].COc3ccccc3N=Nc2c(cc1cc(ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].COc3ccccc3N=Nc2c(cc1cc(ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H14N2O8S2.2Na/c1-27-14-5-3-2-4-13(14)18-19-16-15(29(24,25)26)9-10-8-11(28(21,22)23)6-7-12(10)17(16)20;;/h2-9,20H,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C17H14N2O8S2.2Na,,,,,,TVKSEYDZBDHCSH-UHFFFAOYSA-L,,,,,,,,,,,
100.026.625,229-287-2,6469-85-8,2-(4-chlorophenylthio)benzoic acid,2-[(4-chlorophenyl)sulfanyl]benzoic acid,OC(=O)c1ccccc1Sc2ccc(Cl)cc2,OC(=O)c1ccccc1Sc2ccc(Cl)cc2,"InChI=1/C13H9ClO2S/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,(H,15,16)",C13H9ClO2S,,,,,,NKMIZDAAUIGVMP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.633,229-296-1,6470-31-1,"Disodium 3,3'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis(4-aminonaphthalene-1-sulphonate)","disodium 3,3'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonate)",[Na+].[Na+].Clc3cc(ccc3N=Nc2cc(c1ccccc1c2N)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5N)S([O-])(=O)=O)c(Cl)c6,[Na+].[Na+].Clc3cc(ccc3N=Nc2cc(c1ccccc1c2N)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5N)S([O-])(=O)=O)c(Cl)c6,"InChI=1/C32H22Cl2N6O6S2.2Na/c33-23-13-17(9-11-25(23)37-39-27-15-29(47(41,42)43)19-5-1-3-7-21(19)31(27)35)18-10-12-26(24(34)14-18)38-40-28-16-30(48(44,45)46)20-6-2-4-8-22(20)32(28)36;;/h1-16H,35-36H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C32H22Cl2N6O6S2.2Na,,,,,,NRXDNEXGDVFWIR-UHFFFAOYSA-L,,,,,,,,,,,
100.019.848,221-832-2,3248-93-9,"4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine","4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline",Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,"InChI=1/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,21H,22-23H2,1H3",C20H19N3,,,,,,WVYMEHMNEMRCEL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.858,221-843-2,3252-43-5,Dibromoacetonitrile,dibromoacetonitrile,BrC(Br)C#N,BrC(Br)C#N,InChI=1/C2HBr2N/c3-2(4)1-5/h2H,C2HBr2N,,,,,,NDSBDLSWTGLNQA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.865,221-851-6,3254-93-1,Doxenitoin,"5,5-diphenylimidazolidin-4-one",O=C1NCNC1(c2ccccc2)c3ccccc3,O=C1NCNC1(c2ccccc2)c3ccccc3,"InChI=1/C15H14N2O/c18-14-15(17-11-16-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,17H,11H2,(H,16,18)",C15H14N2O,,,,,,FEJIIZAOQRTGPC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.867,221-853-7,3256-57-3,4-nitrophenyl N2-[(benzyloxy)carbonyl]-L-asparaginate,4-nitrophenyl N~2~-[(benzyloxy)carbonyl]-L-asparaginate,NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C18H17N3O7/c19-16(22)10-15(20-18(24)27-11-12-4-2-1-3-5-12)17(23)28-14-8-6-13(7-9-14)21(25)26/h1-9,15H,10-11H2,(H2,19,22)(H,20,24)",C18H17N3O7,,,,,,YLWIFNIVONXXMG-HNNXBMFYSA-N,,,,,,,,,,,
100.015.793,217-372-7,1825-64-5,Trimethyl(1-methylethoxy)silane,isopropoxy(trimethyl)silane,CC(C)O[Si](C)(C)C,CC(C)O[Si](C)(C)C,"InChI=1/C6H16OSi/c1-6(2)7-8(3,4)5/h6H,1-5H3",C6H16OSi,,,,,,NNLPAMPVXAPWKG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.794,217-373-2,1825-74-7,Dichloromethoxymethylsilane,[(dichloromethoxy)methyl]silane,[SiH3]COC(Cl)Cl,[SiH3]COC(Cl)Cl,"InChI=1/C2H6Cl2OSi/c3-2(4)5-1-6/h2H,1H2,6H3",C2H6Cl2OSi,,,,,,XPOUOLHBJYJZGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.795,217-374-8,1826-28-4,Phenyl 2-pyridyl ketone oxime,phenyl(pyridin-2-yl)methanone oxime,ON=C(c1ccccc1)c2ccccn2,ON=C(c1ccccc1)c2ccccn2,"InChI=1/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H",C12H10N2O,,,,,,RSJDEVMJZLLAHS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.796,217-375-3,1826-67-1,Bromovinylmagnesium,bromo(vinyl)magnesium,Br[Mg]C=C,Br[Mg]C=C,"InChI=1/C2H3.BrH.Mg/c1-2;;/h1H,2H2;1H;/q;;+1/p-1/rC2H3BrMg/c1-2-4-3/h2H,1H2",C2H3BrMg,,,,,,XHHHAXOHMKAOSL-UHFFFAOYSA-M,,,,,,,,,,,
100.015.800,217-380-0,1829-37-4,o-bromophenyl acetate,2-bromophenyl acetate,CC(=O)Oc1ccccc1Br,CC(=O)Oc1ccccc1Br,"InChI=1/C8H7BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3",C8H7BrO2,,,,,,BEHBHYYPTOHUHX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.805,217-385-8,1830-54-2,Dimethyl 3-oxoglutarate,dimethyl 3-oxopentanedioate,COC(=O)CC(=O)CC(=O)OC,COC(=O)CC(=O)CC(=O)OC,"InChI=1/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3",C7H10O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7467,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.805,RNJOKCPFLQMDEC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.824,217-406-0,1836-75-5,Nitrofen,"2,4-dichloro-1-(4-nitrophenoxy)benzene",[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,InChI=1/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H,C12H7Cl2NO3,,,,,,XITQUSLLOSKDTB-UHFFFAOYSA-N,Positive/Negative,EQ309801|EQ309802|EQ309803|EQ309804|EQ309805|EQ309806,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,283.9876:266.9848:237.9942|266.9849:283.9876:237.9948|266.9849:208.992:202.0179|202.0179:208.9919:266.9848|202.0179:208.992:173.0153|202.018:139.0542:173.0153,Eawag,UA004305,[M]-,CID35,138.0196:171.9806:247.0038,UFZ_Additional_Specs
100.015.825,217-407-6,1836-77-7,Chlornitrofen,"1,3,5-trichloro-2-(4-nitrophenoxy)benzene",[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,InChI=1/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H,C12H6Cl3NO3,,,,,,XQNAUQUKWRBODG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.828,217-410-2,1838-08-0,Octadecylamine hydrochloride,octadecan-1-amine hydrochloride,Cl.CCCCCCCCCCCCCCCCCCN,Cl.CCCCCCCCCCCCCCCCCCN,"InChI=1/C18H39N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;1H",C18H39N.ClH,,,,,,RNYJXPUAFDFIQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.836,217-419-1,1841-46-9,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl methacrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C13H8F16O2/c1-4(2)5(30)31-3-7(16,17)9(20,21)11(24,25)13(28,29)12(26,27)10(22,23)8(18,19)6(14)15/h6H,1,3H2,2H3",C13H8F16O2,,,,,,XAENZTGUQXVFPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.838,217-421-2,1843-05-6,Octabenzone,[2-hydroxy-4-(octyloxy)phenyl](phenyl)methanone,CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3",C21H26O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13351,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.838,QUAMTGJKVDWJEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.046,216-550-1,1610-39-5,"1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene","1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene",C1CCc2c3CCCCc3c4CCCCc4c2C1,C1CCc2c3CCCCc3c4CCCCc4c2C1,InChI=1/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2,C18H24,,,,,,ODHYDPYRIQKHCI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.051,216-555-9,1611-83-2,N-phenylmethacrylamide,2-methyl-N-phenylacrylamide,CC(=C)C(=O)Nc1ccccc1,CC(=C)C(=O)Nc1ccccc1,"InChI=1/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)",C10H11NO,,,,,,IJSVVICYGLOZHA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.052,216-556-4,1612-30-2,Menadiol sodium sulfate,"disodium 2-methylnaphthalene-1,4-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(C)c(OS([O-])(=O)=O)c2ccccc12,[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(C)c(OS([O-])(=O)=O)c2ccccc12,"InChI=1/C11H10O8S2.2Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C11H10O8S2.2Na,,,,,,VIXBZWJMHHVLBT-UHFFFAOYSA-L,,,,,,,,,,,
100.015.062,216-567-4,1615-80-1,"1,2-diethylhydrazine","1,2-diethylhydrazine",CCNNCC,CCNNCC,"InChI=1/C4H12N2/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3",C4H12N2,,,,,,YCBOYOYVDOUXLH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.066,223-172-0,3760-13-2,"1,6-dimethylcycloocta-1,5-diene","1,6-dimethylcycloocta-1,5-diene",CC1=CCCC=C(C)CC1,CC1=CCCC=C(C)CC1,"InChI=1/C10H16/c1-9-5-3-4-6-10(2)8-7-9/h5-6H,3-4,7-8H2,1-2H3",C10H16,,,,,,UKNFYLAGXMXTKA-OZDSWYPASA-N,,,,,,,,,,,
100.021.067,223-173-6,3760-14-3,"1,5-dimethylcycloocta-1,5-diene","1,5-dimethylcycloocta-1,5-diene",CC1=CCCC(=CCC1)C,CC1=CCCC(=CCC1)C,"InChI=1/C10H16/c1-9-5-3-7-10(2)8-4-6-9/h5,8H,3-4,6-7H2,1-2H3",C10H16,,,,,,RYOGZVTWMZNTGL-UDRCNDPASA-N,,,,,,,,,,,
100.021.070,223-176-2,3760-66-5,"2-bromo-4,4'-dichlorobutyrophenone",2-bromo-4-chloro-1-(4-chlorophenyl)butan-1-one,ClCCC(Br)C(=O)c1ccc(Cl)cc1,ClCCC(Br)C(=O)c1ccc(Cl)cc1,"InChI=1/C10H9BrCl2O/c11-9(5-6-12)10(14)7-1-3-8(13)4-2-7/h1-4,9H,5-6H2",C10H9BrCl2O,,,,,,FJDWOHFEUUFTDH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.072,223-178-3,3761-53-3,"Disodium 1-(2,4-dimethylphenylazo)-2-hydroxynaphthalene-3,6-disulphonate","disodium 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2ccc(C)cc2C)c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2ccc(C)cc2C)c3O)S([O-])(=O)=O,"InChI=1/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H16N2O7S2.2Na,,,,,,YJVBLROMQZEFPA-UHFFFAOYSA-L,,,,,,,,,,,
100.021.074,223-180-4,3762-25-2,Diethyl (4-methylbenzyl)phosphonate,diethyl (4-methylbenzyl)phosphonate,CCOP(=O)(Cc1ccc(C)cc1)OCC,CCOP(=O)(Cc1ccc(C)cc1)OCC,"InChI=1/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3",C12H19O3P,,,,,,QKGBKPZAXXBLJE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.077,223-184-6,3764-94-1,5-chloro-1H-indole-3-ethylamine,2-(5-chloro-1H-indol-3-yl)ethanamine,NCCc1c[nH]c2ccc(Cl)cc12,NCCc1c[nH]c2ccc(Cl)cc12,"InChI=1/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2",C10H11ClN2,,,,,,FVQKQPVVCKOWLM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.080,223-187-2,3766-60-7,Buturon,3-(4-chlorophenyl)-1-methyl-1-(1-methylprop-2-yn-1-yl)urea,CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1,CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1,"InChI=1/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)",C12H13ClN2O,,,,,,BYYMILHAKOURNM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.081,223-188-8,3766-81-2,2-sec-butylphenyl methylcarbamate,2-sec-butylphenyl methylcarbamate,CCC(C)c1ccccc1OC(=O)NC,CCC(C)c1ccccc1OC(=O)NC,"InChI=1/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)",C12H17NO2,,,,,,DIRFUJHNVNOBMY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.086,223-194-0,3768-14-7,Adenosine 5'-[hydrogen (phosphonomethyl)phosphonate],9-{5-O-[hydroxy(phosphonomethyl)phosphoryl]pentofuranosyl}-9H-purin-6-amine,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)CP(=O)(O)O)C(O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)CP(=O)(O)O)C(O)C3O,"InChI=1/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)",C11H17N5O9P2,,,,,,OLCWZBFDIYXLAA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.088,223-196-1,3768-43-2,3-methylpiperidin-2-one,3-methylpiperidin-2-one,CC1CCCNC1=O,CC1CCCNC1=O,"InChI=1/C6H11NO/c1-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)",C6H11NO,,,,,,PHGAOXNFCZKFTR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.092,223-200-1,3768-58-9,Bis(dimethylamino)dimethylsilane,"N,N,N',N',1,1-hexamethylsilanediamine",CN(C)[Si](C)(C)N(C)C,CN(C)[Si](C)(C)N(C)C,"InChI=1/C6H18N2Si/c1-7(2)9(5,6)8(3)4/h1-6H3",C6H18N2Si,,,,,,QULMGWCCKILBTO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.098,223-206-4,3770-50-1,Ethyl indole-2-carboxylate,ethyl 1H-indole-2-carboxylate,CCOC(=O)c1cc2ccccc2[nH]1,CCOC(=O)c1cc2ccccc2[nH]1,"InChI=1/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3",C11H11NO2,,,,,,QQXQAEWRSVZPJM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.523,224-774-6,4486-13-9,"1-amino-9,10-dihydro-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide","1-amino-4-(methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide",CNc1cc(C(=O)N)c(N)c2C(=O)c3ccccc3C(=O)c12,CNc1cc(C(=O)N)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H13N3O3/c1-19-10-6-9(16(18)22)13(17)12-11(10)14(20)7-4-2-3-5-8(7)15(12)21/h2-6,19H,17H2,1H3,(H2,18,22)",C16H13N3O3,,,,,,VJMCKXPFVWESHW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.528,224-779-3,4488-58-8,"Exo-p-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol","4-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",CC1(C)C2CCC1(C)C(C2)c3ccc(O)cc3,CC1(C)C2CCC1(C)C(C2)c3ccc(O)cc3,"InChI=1/C16H22O/c1-15(2)12-8-9-16(15,3)14(10-12)11-4-6-13(17)7-5-11/h4-7,12,14,17H,8-10H2,1-3H3",C16H22O,,,,,,DUDPYRGZUMHGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.532,224-784-0,4492-78-8,Tris(2-hydroxyethyl)ammonium tetradecyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium tetradecyl sulfate",CCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C14H30O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;8-4-1-7(2-5-9)3-6-10/h2-14H2,1H3,(H,15,16,17);8-10H,1-6H2",C14H30O4S.C6H15NO3,,,,,,BBECRFZLZMRJLF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.534,224-786-1,4492-80-2,Tris(2-hydroxyethyl)ammonium octadecyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium octadecyl sulfate",CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C18H38O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;8-4-1-7(2-5-9)3-6-10/h2-18H2,1H3,(H,19,20,21);8-10H,1-6H2",C18H38O4S.C6H15NO3,,,,,,DZQYCOCAFPQWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.535,224-787-7,4493-42-9,"Methyl (2E,4Z)-2,4-decadienoate","methyl deca-2,4-dienoate",CCCCC\\C=C/C=C/C(=O)OC,CCCCC\C=C/C=C/C(=O)OC,"InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3",C11H18O2,,,,,,SFHSEXGIVSBRRK-UQGDGPGGSA-N,,,,,,,,,,,
100.015.854,217-439-0,1851-86-1,3-hydroxybutyl acetate,3-hydroxybutyl acetate,CC(O)CCOC(=O)C,CC(O)CCOC(=O)C,"InChI=1/C6H12O3/c1-5(7)3-4-9-6(2)8/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,KLUHZXMBIDAHSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.862,217-447-4,1852-53-5,"5-a-androstane-3-a,17-ß-diol","androstane-3,17-diol",C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O,"InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3",C19H32O2,,,,,,CBMYJHIOYJEBSB-KHOSGYARSA-N,,,,,,,,,,,
100.015.869,217-455-8,1856-05-9,[[(3ß)-cholest-5-en-3-yl]oxy]trimethylsilane,3-[(trimethylsilyl)oxy]cholest-5-ene,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)O[Si](C)(C)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)O[Si](C)(C)C,"InChI=1/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3",C30H54OSi,,,,,,CBVJJGRSRFXUPK-HBOBSPHKSA-N,,,,,,,,,,,
100.015.871,217-457-9,1858-38-4,Dichloroisothiocyanatophosphine,phosphorisothiocyanatidous dichloride,ClP(Cl)N=C=S,ClP(Cl)N=C=S,InChI=1/CCl2NPS/c2-5(3)4-1-6,CCl2NOPS,,,,,,LBDNLKMQPCCCPL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.872,217-458-4,1859-10-5,4-methyl-9H-fluoren-9-ol,4-methyl-9H-fluoren-9-ol,Cc1cccc2C(O)c3ccccc3c12,Cc1cccc2C(O)c3ccccc3c12,"InChI=1/C14H12O/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14(12)15/h2-8,14-15H,1H3",C14H12O,,,,,,XYFPAZQJSNRUSG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.873,217-460-5,1859-39-8,1-hydroxy-2-phenyl-1H-indole,2-phenyl-1H-indol-1-ol,On1c(cc2ccccc12)c3ccccc3,On1c(cc2ccccc12)c3ccccc3,"InChI=1/C14H11NO/c16-15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10,16H",C14H11NO,,,,,,GSCZNYAHWDLULJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.878,217-465-2,1861-40-1,Benfluralin,"N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline",CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3",C13H16F3N3O4,,,,,,SMDHCQAYESWHAE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.881,217-468-9,1863-63-4,Ammonium benzoate,ammonium benzoate,[NH4+].[O-]C(=O)c1ccccc1,[NH4+].[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3",C7H6O2.H3N,,,,,,VWSRWGFGAAKTQG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.883,217-471-5,1864-94-4,Phenyl formate,phenyl formate,O=COc1ccccc1,O=COc1ccccc1,InChI=1/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H,C7H6O2,,,,,,GEOWCLRLLWTHDN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.133,223-245-7,3782-00-1,"2,3-dimethylbenzofuran","2,3-dimethyl-1-benzofuran",Cc1oc2ccccc2c1C,Cc1oc2ccccc2c1C,"InChI=1/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3",C10H10O,,,,,,YGBXXWTZWLALGR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.642,229-305-9,3/06/6471,"Sodium 1,4-diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],[Na+].Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H10N2O5S.Na/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18;/h1-5H,15-16H2,(H,19,20,21);/q;+1/p-1",C14H10N2O5S.Na,,,,,,ALZAHMAJIWDUIY-UHFFFAOYSA-M,,,,,,,,,,,
100.028.614,231-474-9,7576-65-0,"2-(3-hydroxy-2-quinolyl)-1H-indene-1,3(2H)-dione","2-(3-hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione",Oc1cc2ccccc2nc1C3C(=O)c4ccccc4C3=O,Oc1cc2ccccc2nc1C3C(=O)c4ccccc4C3=O,"InChI=1/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H",C18H11NO3,,,,,,FDTLQXNAPKJJAM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.127,233-153-9,10045-95-1,Neodymium trinitrate,neodymium trinitrate,[Nd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Nd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Nd/c3*2-1(3)4;/q3*-1;+3,HNO3.1/3Nd,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11205,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.127,CFYGEIAZMVFFDE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.129,233-156-5,10047-28-6,Butyl mercaptoacetate,butyl sulfanylacetate,CCCCOC(=O)CS,CCCCOC(=O)CS,"InChI=1/C6H12O2S/c1-2-3-4-8-6(7)5-9/h9H,2-5H2,1H3",C6H12O2S,,,,,,SKGVGRLWZVRZDC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.137,233-164-9,10049-06-6,Titanium dichloride,titanium(2+) dichloride,[Cl-].[Cl-].[Ti+2],[Cl-].[Cl-].[Ti+2],InChI=1/2ClH.Ti/h2*1H;/q;;+2/p-2,Cl2Ti,,,,,,ZWYDDDAMNQQZHD-UHFFFAOYSA-L,,,,,,,,,,,
100.030.138,233-165-4,10049-07-7,Rhodium trichloride,-,[Cl-].[Cl-].[Cl-].[Rh+2],[Cl-].[Cl-].[Cl-].[Rh+2],InChI=1/3ClH.Rh/h3*1H;/q;;;+2/p-3,Cl3Rh,,,,,,BVXNETKEERNBOW-UHFFFAOYSA-K,,,,,,,,,,,
100.030.151,233-180-6,10051-45-3,Sodium heptanoate,sodium heptanoate,[Na+].CCCCCCC(=O)[O-],[Na+].CCCCCCC(=O)[O-],"InChI=1/C7H14O2.Na/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1",C7H14O2.Na,,,,,,NMTDPTPUELYEPL-UHFFFAOYSA-M,,,,,,,,,,,
100.028.232,231-055-0,7424-91-1,"Methyl 3,3-dimethoxypropionate","methyl 3,3-dimethoxypropanoate",COC(CC(=O)OC)OC,COC(CC(=O)OC)OC,"InChI=1/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3",C6H12O4,,,,,,SMCVPMKCDDNUCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.242,231-066-0,7426-75-7,"2,2'-(1,4-phenylene)bis[4,5-dihydrooxazole]","2,2'-(1,4-phenylene)bis(4,5-dihydro-1,3-oxazole)",C1CN=C(O1)c2ccc(cc2)C3=NCCO3,C1CN=C(O1)c2ccc(cc2)C3=NCCO3,"InChI=1/C12H12N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-4H,5-8H2",C12H12N2O2,,,,,,ZDNUPMSZKVCETJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.246,231-070-2,7429-37-0,"trans-1,2-dibromocyclohexane","1,2-dibromocyclohexane",Br[C@H]1CCCC[C@@H]1Br,Br[C@H]1CCCC[C@@H]1Br,"InChI=1/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2",C6H10Br2,,,,,,CZNHKZKWKJNOTE-WDSKDSINSA-N,,,,,,,,,,,
100.028.247,231-071-8,7429-44-9,2-methoxycyclohexanone,2-methoxycyclohexanone,COC1CCCCC1=O,COC1CCCCC1=O,"InChI=1/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3",C7H12O2,,,,,,JYJURPHZXCLFDX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.004,233-017-9,10021-57-5,Uridylyl-(5'<U+2192>3')-inosine,-,OCC1OC(C(O)C1OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)n4cnc5C(=O)NC=Nc45,OCC1OC(C(O)C1OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)n4cnc5C(=O)NC=Nc45,"InChI=1/C19H23N6O13P/c26-3-7-14(13(30)18(36-7)25-6-22-10-15(25)20-5-21-16(10)31)38-39(33,34)35-4-8-11(28)12(29)17(37-8)24-2-1-9(27)23-19(24)32/h1-2,5-8,11-14,17-18,26,28-30H,3-4H2,(H,33,34)(H,20,21,31)(H,23,27,32)",C19H23N6O13P,,,,,,SOQCFECPTXELCM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.005,233-018-4,10022-28-3,"1,1-dimethoxyoctane","1,1-dimethoxyoctane",CCCCCCCC(OC)OC,CCCCCCCC(OC)OC,"InChI=1/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3",C10H22O2,,,,,,BZOOCKAFKVYAOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.010,233-024-7,10024-57-4,p-tolyl laurate,4-methylphenyl laurate,CCCCCCCCCCCC(=O)Oc1ccc(C)cc1,CCCCCCCCCCCC(=O)Oc1ccc(C)cc1,"InChI=1/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3",C19H30O2,,,,,,GRSHNQARIXQRDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.013,233-027-3,10024-66-5,"Citric acid, manganese salt",manganese(2+) 2-(carboxymethyl)-2-hydroxysuccinate,[Mn].O=C(O)CC(O)(CC(=O)O)C(O)=O,[Mn].O=C(O)CC(O)(CC(=O)O)C(O)=O,"InChI=1/C6H8O7.Mn/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2",C6H8O7.xMn,,,,,,OKOYFIHZDKMHAM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.014,233-028-9,10024-70-1,3-methoxybutyric acid,3-methoxybutanoic acid,COC(C)CC(=O)O,COC(C)CC(=O)O,"InChI=1/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",C5H10O3,,,,,,MXJDPWXQIVDAPH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.016,233-031-5,10024-93-8,Neodymium trichloride,neodymium trichloride,[Cl-].[Cl-].[Cl-].[Nd+3],[Cl-].[Cl-].[Cl-].[Nd+3],InChI=1/3ClH.Nd/h3*1H;/q;;;+3/p-3,Cl3Nd,,,,,,ATINCSYRHURBSP-UHFFFAOYSA-K,,,,,,,,,,,
100.030.019,233-034-1,10025-65-7,Platinum dichloride,platinum(2+) dichloride,[Cl-].[Cl-].[Pt+2],[Cl-].[Cl-].[Pt+2],InChI=1/2ClH.Pt/h2*1H;/q;;+2/p-2,Cl2Pt,,,,,,CLSUSRZJUQMOHH-UHFFFAOYSA-L,,,,,,,,,,,
100.019.472,221-419-7,3088-53-7,"Gadolinium(3+) 2-hydroxypropane-1,2,3-tricarboxylate",gadolinium citrate,[Gd+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Gd+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Gd/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",C6H8O7.Gd,,,,,,CHXZBTADZOSKRR-UHFFFAOYSA-K,,,,,,,,,,,
100.019.473,221-420-2,3088-54-8,"Erbium(3+) 2-hydroxypropane-1,2,3-tricarboxylate",erbium citrate,[Er+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Er+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Er/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",C6H8O7.Er,,,,,,UMERVCVSMFTNQS-UHFFFAOYSA-K,,,,,,,,,,,
100.019.480,221-428-6,3089-23-4,2-oxo-2-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]ethyl methacrylate,2-oxo-2-{[2-(2-oxoimidazolidin-1-yl)ethyl]amino}ethyl methacrylate,CC(=C)C(=O)OCC(=O)NCCN1CCNC1=O,CC(=C)C(=O)OCC(=O)NCCN1CCNC1=O,"InChI=1/C11H17N3O4/c1-8(2)10(16)18-7-9(15)12-3-5-14-6-4-13-11(14)17/h1,3-7H2,2H3,(H,12,15)(H,13,17)",C11H17N3O4,,,,,,BMMZGRLRFPSWKY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.482,221-430-7,3089-25-6,"2,4,4-trimethylhexane-1,6-diol","2,4,4-trimethylhexane-1,6-diol",CC(CO)CC(C)(C)CCO,CC(CO)CC(C)(C)CCO,"InChI=1/C9H20O2/c1-8(7-11)6-9(2,3)4-5-10/h8,10-11H,4-7H2,1-3H3",C9H20O2,,,,,,XACKQJURAZIUES-UHFFFAOYSA-N,,,,,,,,,,,
100.019.494,221-443-8,3095-73-6,Hexakis(bromomethyl)benzene,hexakis(bromomethyl)benzene,BrCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr,BrCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr,InChI=1/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2,C12H12Br6,,,,,,XJOUCILNLRXRTF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.497,221-446-4,3096-69-3,"4-amino-2,3-xylenol","4-amino-2,3-dimethylphenol",Cc1c(C)c(O)ccc1N,Cc1c(C)c(O)ccc1N,"InChI=1/C8H11NO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,9H2,1-2H3",C8H11NO,,,,,,UBKPLLYABUUFCE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.125,223-236-8,3777-71-7,2-heptylfuran,2-heptylfuran,CCCCCCCc1occc1,CCCCCCCc1occc1,"InChI=1/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3",C11H18O,,,,,,BHTUFJXTYNLISA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.126,223-237-3,3778-73-2,Ifosfamide,"N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide",ClCCNP1(=O)OCCCN1CCCl,ClCCNP1(=O)OCCCN1CCCl,"InChI=1/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)",C7H15Cl2N2O2P,,,,,,HOMGKSMUEGBAAB-UHFFFAOYSA-N,Positive,EA268301|EA268302|EA268303|EA268304|EA268305|EA268306|EA268307|EA268308|EA268309|EA268310|EA268311|EA268312|EA268313|EA268314,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,233.0008:182.0133:153.982|261.0322:233.0006|261.0321:233.0007:182.0132|92.0262:153.9819:261.0322|92.0262:153.9819:78.0106|92.0262:153.9819:78.0106|92.0262:153.9819:78.0105|261.0321:233.001|261.0322:233.0009:182.0134|92.0262:153.9819:261.0321|92.0262:153.9819:120.0575|92.0262:153.9819:78.0105|92.0262:153.9819:78.0105|233.0008:182.0133:153.9819,Eawag,,,,,
100.021.128,223-239-4,3779-29-1,"Diethyl 1,1-cyclobutanedicarboxylate","diethyl cyclobutane-1,1-dicarboxylate",CCOC(=O)C1(CCC1)C(=O)OCC,CCOC(=O)C1(CCC1)C(=O)OCC,"InChI=1/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3",C10H16O4,,,,,,JPNJEJSZSMXWSV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.130,223-242-0,3779-63-3,"(2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate","1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione",O=C=NCCCCCCN1C(=O)N(CCCCCCN=C=O)C(=O)N(CCCCCCN=C=O)C1=O,O=C=NCCCCCCN1C(=O)N(CCCCCCN=C=O)C(=O)N(CCCCCCN=C=O)C1=O,InChI=1/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2,C24H36N6O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11746,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.130,KCZQSKKNAGZQSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.452,218-095-4,2050-68-2,"4,4'-dichlorobiphenyl","4,4'-dichlorobiphenyl",Clc1ccc(cc1)c2ccc(Cl)cc2,Clc1ccc(cc1)c2ccc(Cl)cc2,InChI=1/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,C12H8Cl2,,,,,,YTBRNEUEFCNVHC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.461,218-106-2,2050-85-3,"N,N'-(o-phenylene)di(acetamide)","N,N'-1,2-phenylenediacetamide",CC(=O)Nc1ccccc1NC(=O)C,CC(=O)Nc1ccccc1NC(=O)C,"InChI=1/C10H12N2O2/c1-7(13)11-9-5-3-4-6-10(9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)",C10H12N2O2,,,,,,RLARNJBPODGLAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.463,218-108-3,2050-92-2,Dipentylamine,N-pentylpentan-1-amine,CCCCCNCCCCC,CCCCCNCCCCC,"InChI=1/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3",C10H23N,,,,,,JACMPVXHEARCBO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.472,218-118-8,2051-32-3,3-ethyloctan-3-ol,3-ethyloctan-3-ol,CCCCCC(O)(CC)CC,CCCCCC(O)(CC)CC,"InChI=1/C10H22O/c1-4-7-8-9-10(11,5-2)6-3/h11H,4-9H2,1-3H3",C10H22O,,,,,,NPQPNSNHYJTUSA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.473,218-119-3,2051-33-4,2-isopropyl-5-methylhexan-1-ol,2-isopropyl-5-methylhexan-1-ol,CC(C)CCC(CO)C(C)C,CC(C)CCC(CO)C(C)C,"InChI=1/C10H22O/c1-8(2)5-6-10(7-11)9(3)4/h8-11H,5-7H2,1-4H3",C10H22O,,,,,,SFIQHFBITUEIBP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.476,218-123-5,2051-50-5,1-methylheptyl acetate,1-methylheptyl acetate,CCCCCCC(C)OC(=O)C,CCCCCCC(C)OC(=O)C,"InChI=1/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3",C10H20O2,,,,,,SJFUDWKNZGXSLV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.477,218-124-0,2051-55-0,[S-(E)]-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one oxime,5-isopropenyl-2-methylcyclohex-2-en-1-one oxime,CC(=C)C1CC=C(C)C(=NO)C1,CC(=C)C1CC=C(C)C(=NO)C1,"InChI=1/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3",C10H15NO,,,,,,JOAADLZWSUDMHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.479,218-126-1,2051-61-8,3-chlorobiphenyl,3-chlorobiphenyl,Clc1cccc(c1)c2ccccc2,Clc1cccc(c1)c2ccccc2,InChI=1/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,C12H9Cl,,,,,,NMWSKOLWZZWHPL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.100,223-209-0,3770-80-7,"2,4,6-trimethoxybenzophenone","phenyl(2,4,6-trimethoxyphenyl)methanone",COc1cc(OC)c(C(=O)c2ccccc2)c(OC)c1,COc1cc(OC)c(C(=O)c2ccccc2)c(OC)c1,"InChI=1/C16H16O4/c1-18-12-9-13(19-2)15(14(10-12)20-3)16(17)11-7-5-4-6-8-11/h4-10H,1-3H3",C16H16O4,,,,,,KFZFLPQFBYUOHV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.101,223-210-6,3770-82-9,"1,3-dibenzoylbenzene","1,3-phenylenebis(phenylmethanone)",O=C(c1ccccc1)c2cccc(c2)C(=O)c3ccccc3,O=C(c1ccccc1)c2cccc(c2)C(=O)c3ccccc3,InChI=1/C20H14O2/c21-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22)16-10-5-2-6-11-16/h1-14H,C20H14O2,,,,,,MJQHDSIEDGPFAM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.104,223-213-2,3771-31-1,"4-[(6-methoxybenzothiazol-2-yl)azo]-N,N-dimethylaniline","4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylaniline",CN(C)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)OC,CN(C)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)OC,"InChI=1/C16H16N4OS/c1-20(2)12-6-4-11(5-7-12)18-19-16-17-14-9-8-13(21-3)10-15(14)22-16/h4-10H,1-3H3",C16H16N4OS,,,,,,AVPFTROGVGTTEC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.109,223-219-5,3772-76-7,Sulfametomidine,4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,"InChI=1/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)",C12H14N4O3S,,,,,,QKLSCPPJEVXONT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.924,219-716-1,2/01/2508,3-(2-chloroethyl)oxazolidin-2-one,"3-(2-chloroethyl)-1,3-oxazolidin-2-one",ClCCN1CCOC1=O,ClCCN1CCOC1=O,InChI=1/C5H8ClNO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2,C5H8ClNO2,,,,,,CDYDZTYVCIPLHY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.926,219-718-2,2508-29-4,5-aminopentan-1-ol,5-aminopentan-1-ol,NCCCCCO,NCCCCCO,"InChI=1/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2",C5H13NO,,,,,,LQGKDMHENBFVRC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.927,219-719-8,2508-72-7,Antazoline hydrochloride,"N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline hydrochloride",Cl.C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3,Cl.C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3,"InChI=1/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H",C17H19N3.ClH,,,,,,SWKDMSRRIBZZAY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.930,219-722-4,2509-26-4,Bis(a-methoxy-p-tolyl) ether,"1,1'-oxybis[4-(methoxymethyl)benzene]",COCc1ccc(Oc2ccc(COC)cc2)cc1,COCc1ccc(Oc2ccc(COC)cc2)cc1,"InChI=1/C16H18O3/c1-17-11-13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3",C16H18O3,,,,,,BMWBYLGWPWDACF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.937,219-730-8,2512-29-0,2-[(4-methyl-2-nitrophenyl)azo]-3-oxo-N-phenylbutyramide,2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide,CC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(=O)Nc2ccccc2,CC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(=O)Nc2ccccc2,"InChI=1/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H,18,23)",C17H16N4O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13177,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.937,MFYSUUPKMDJYPF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.944,219-738-1,2516-95-2,5-chloro-2-nitrobenzoic acid,5-chloro-2-nitrobenzoic acid,OC(=O)c1cc(Cl)ccc1[N+](=O)[O-],OC(=O)c1cc(Cl)ccc1[N+](=O)[O-],"InChI=1/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)",C7H4ClNO4,,,,,,ZKUYSJHXBFFGPU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.953,219-748-6,2520-60-7,2-(3-methylbut-2-enyl)cyclopentan-1-one,2-(3-methylbut-2-en-1-yl)cyclopentanone,CC(=CCC1CCCC1=O)C,CC(=CCC1CCCC1=O)C,"InChI=1/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6,9H,3-5,7H2,1-2H3",C10H16O,,,,,,NKESYZVOSBUNKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.957,219-752-8,2523-48-0,9H-fluorene-2-carbonitrile,9H-fluorene-2-carbonitrile,N#Cc1ccc2c(Cc3ccccc23)c1,N#Cc1ccc2c(Cc3ccccc23)c1,"InChI=1/C14H9N/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7H,8H2",C14H9N,,,,,,HZGMFVCYHFDNGW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.959,219-754-9,2524-03-0,"O,O-dimethyl phosphorochloridothioate","O,O-dimethyl chlorothiophosphate",COP(=S)(Cl)OC,COP(=S)(Cl)OC,"InChI=1/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3",C2H6ClO2PS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5177,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.959,XFBJRFNXPUCPKU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.961,219-757-5,2/05/2524,"O,O-dipropyl chlorothiophosphate","O,O-dipropyl chlorothiophosphate",CCCOP(=S)(Cl)OCCC,CCCOP(=S)(Cl)OCCC,"InChI=1/C6H14ClO2PS/c1-3-5-8-10(7,11)9-6-4-2/h3-6H2,1-2H3",C6H14ClO2PS,,,,,,GBTKSPPVHLJBFE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.962,219-758-0,2524-52-9,Ethyl pyridine-2-carboxylate,ethyl pyridine-2-carboxylate,CCOC(=O)c1ccccn1,CCOC(=O)c1ccccn1,"InChI=1/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3",C8H9NO2,,,,,,FQYYIPZPELSLDK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.969,219-765-9,2526-69-4,Dimethyl (3-amino-3-oxopropyl)phosphonate,dimethyl (3-amino-3-oxopropyl)phosphonate,COP(=O)(CCC(=O)N)OC,COP(=O)(CCC(=O)N)OC,"InChI=1/C5H12NO4P/c1-9-11(8,10-2)4-3-5(6)7/h3-4H2,1-2H3,(H2,6,7)",C5H12NO4P,,,,,,LSCSYJWMZUCJDW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.973,219-770-6,2527-76-6,2-methylthiophene-3-thiol,2-methylthiophene-3-thiol,Cc1sccc1S,Cc1sccc1S,"InChI=1/C5H6S2/c1-4-5(6)2-3-7-4/h2-3,6H,1H3",C5H6S2,,,,,,AQXLMAYNBMTBHD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.974,219-771-1,2528-16-7,Benzyl hydrogen phthalate,2-[(benzyloxy)carbonyl]benzoic acid,OC(=O)c1ccccc1C(=O)OCc2ccccc2,OC(=O)c1ccccc1C(=O)OCc2ccccc2,"InChI=1/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)",C15H12O4,,,,,,XIKIUQUXDNHBFR-UHFFFAOYSA-N,Positive/Negative,SM823104;UF420401|UF420402|UF420403|UF420404,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,91.0543:149.0234:65.0387;91.0545|91.0545|91.0545:149.0238|91.0545:149.0235,CASMI_2016;UFZ,SM823154;UF420451|UF420452|UF420453|UF420454,[M-H]-;[M-H]-,HCD35;HCD55|HCD80|CID35|CID55,255.0663:183.0815:211.0764;183.0812:77.0397:107.0503|107.0501:77.0399:105.0347|183.0815:211.0763:107.0502|183.0815:211.0765:107.0503,CASMI_2016;UFZ
100.021.135,223-247-8,3784-99-4,Stilbazium iodide,"1-ethyl-2,6-bis[2-(4-pyrrolidin-1-ylphenyl)vinyl]pyridinium iodide",[I-].CC[n+]5c(C=Cc1ccc(cc1)N2CCCC2)cccc5C=Cc3ccc(cc3)N4CCCC4,[I-].CC[n+]5c(C=Cc1ccc(cc1)N2CCCC2)cccc5C=Cc3ccc(cc3)N4CCCC4,"InChI=1/C31H36N3.HI/c1-2-34-30(20-14-26-10-16-28(17-11-26)32-22-3-4-23-32)8-7-9-31(34)21-15-27-12-18-29(19-13-27)33-24-5-6-25-33;/h7-21H,2-6,22-25H2,1H3;1H/q+1;/p-1",C31H36N3.I,,,,,,BYIRBDUHSVOFLU-UHFFFAOYSA-M,,,,,,,,,,,
100.021.137,223-249-9,3785-32-8,Sodium [2-(aminocarbonyl)phenoxy]acetate,sodium (2-carbamoylphenoxy)acetate,[Na+].NC(=O)c1ccccc1OCC(=O)[O-],[Na+].NC(=O)c1ccccc1OCC(=O)[O-],"InChI=1/C9H9NO4.Na/c10-9(13)6-3-1-2-4-7(6)14-5-8(11)12;/h1-4H,5H2,(H2,10,13)(H,11,12);/q;+1/p-1",C9H9NO4.Na,,,,,,OEQSACUVTKYXIR-UHFFFAOYSA-M,,,,,,,,,,,
100.021.138,223-250-4,3785-34-0,Ethylene bromoacetate,"ethane-1,2-diyl bis(bromoacetate)",BrCC(=O)OCCOC(=O)CBr,BrCC(=O)OCCOC(=O)CBr,InChI=1/C6H8Br2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2,C6H8Br2O4,,,,,,WGHAPLWNJPAJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.166,223-281-3,3809-32-3,"2,5-dimethylcyclohexan-1-ol","2,5-dimethylcyclohexanol",CC1CCC(C)C(O)C1,CC1CCC(C)C(O)C1,"InChI=1/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3",C8H16O,,,,,,RUADGOLRFXTMCY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.175,223-291-8,3811-25-4,Clorprenaline,1-(2-chlorophenyl)-2-(isopropylamino)ethanol,CC(C)NCC(O)c1ccccc1Cl,CC(C)NCC(O)c1ccccc1Cl,"InChI=1/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3",C11H16ClNO,,,,,,SSMSBSWKLKKXGG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.006,219-806-0,2537-48-6,Diethyl (cyanomethyl)phosphonate,diethyl (cyanomethyl)phosphonate,CCOP(=O)(CC#N)OCC,CCOP(=O)(CC#N)OCC,"InChI=1/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3",C6H12NO3P,,,,,,KWMBADTWRIGGGG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.009,219-809-7,2538-84-3,"Disodium 16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(sulphate)","disodium 16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl disulfate",[Na+].[Na+].COc1cc2c3ccccc3c(OS(=O)(=O)[O-])c4ccc5c6ccc7c(OS(=O)(=O)[O-])c8ccccc8c9cc(OC)c(c1c5c24)c6c79,[Na+].[Na+].COc1cc2c3ccccc3c(OS(=O)(=O)[O-])c4ccc5c6ccc7c(OS(=O)(=O)[O-])c8ccccc8c9cc(OC)c(c1c5c24)c6c79,"InChI=1/C36H22O10S2.2Na/c1-43-27-15-25-17-7-3-5-9-21(17)35(45-47(37,38)39)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)46-48(40,41)42)16-28(44-2)34(32(20)30)33(27)31(19)29(23)25;;/h3-16H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C36H22O10S2.2Na,,,,,,OFRNYPVEFOPHIL-UHFFFAOYSA-L,,,,,,,,,,,
100.018.010,219-810-2,2538-85-4,Sodium 3-hydroxy-4-(2-hydroxy-1-naphthylazo)-1-naphthalenesulphonate,sodium 3-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccccc34,[Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccccc34,"InChI=1/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1",C20H14N2O5S.Na,,,,,,ZQWICJYATMSSSD-UHFFFAOYSA-M,,,,,,,,,,,
100.018.014,219-814-4,2/09/2540,7-chloro-4-methylquinolin-2(1H)-one,7-chloro-4-methylquinolin-2(1H)-one,CC1=CC(=O)Nc2cc(Cl)ccc12,CC1=CC(=O)Nc2cc(Cl)ccc12,"InChI=1/C10H8ClNO/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,1H3,(H,12,13)",C10H8ClNO,,,,,,AMAMIEIWDWLEKT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.018,219-819-1,2541-69-7,7-methylbenz[a]anthracene,7-methyltetraphene,Cc1c2ccccc2cc3c1ccc4ccccc34,Cc1c2ccccc2cc3c1ccc4ccccc34,"InChI=1/C19H14/c1-13-16-8-4-3-7-15(16)12-19-17(13)11-10-14-6-2-5-9-18(14)19/h2-12H,1H3",C19H14,,,,,,DIIFUCUPDHMNIV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.021,219-822-8,2543-46-6,"(±)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropiononitrile","2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile",COc1ccc(CC(C)(N)C#N)cc1OC,COc1ccc(CC(C)(N)C#N)cc1OC,"InChI=1/C12H16N2O2/c1-12(14,8-13)7-9-4-5-10(15-2)11(6-9)16-3/h4-6H,7,14H2,1-3H3",C12H16N2O2,,,,,,GEFHJACVQBNFFP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.028,219-830-1,2547-61-7,Trichloromethanesulphonyl chloride,trichloromethanesulfonyl chloride,ClC(Cl)(Cl)S(=O)(=O)Cl,ClC(Cl)(Cl)S(=O)(=O)Cl,"InChI=1/CCl4O2S/c2-1(3,4)8(5,6)7",CCl4O2S,,,,,,ZCPSWAFANXCCOT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.033,219-835-9,2549-53-3,Tetradecyl methacrylate,tetradecyl methacrylate,CCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3",C18H34O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14692,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.033,ATZHWSYYKQKSSY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.037,219-840-6,2549-93-1,"Cyclohex-1,4-ylenebis(methylamine)","cyclohexane-1,4-diyldimethanamine",NCC1CCC(CN)CC1,NCC1CCC(CN)CC1,"InChI=1/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2",C8H18N2,,,,,,OXIKYYJDTWKERT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.038,219-841-1,2549-99-7,Benzyltriethoxysilane,benzyl(triethoxy)silane,CCO[Si](Cc1ccccc1)(OCC)OCC,CCO[Si](Cc1ccccc1)(OCC)OCC,"InChI=1/C13H22O3Si/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3",C13H22O3Si,,,,,,CPLASELWOOUNGW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.042,219-845-3,2550-11-0,"4,7-dimethyloct-6-en-3-one","4,7-dimethyloct-6-en-3-one",CCC(=O)C(C)CC=C(C)C,CCC(=O)C(C)CC=C(C)C,"InChI=1/C10H18O/c1-5-10(11)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3",C10H18O,,,,,,WKQWDIFHKYWRTA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.044,219-847-4,2550-26-7,4-phenylbutan-2-one,4-phenylbutan-2-one,CC(=O)CCc1ccccc1,CC(=O)CCc1ccccc1,"InChI=1/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C10H12O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12477,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.044,AKGGYBADQZYZPD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.020,233-035-7,10025-66-8,Radium chloride,radium dichloride,[Cl-].[Cl-].[Ra+2],[Cl-].[Cl-].[Ra+2],InChI=1/2ClH.Ra/h2*1H;/q;;+2/p-2,Cl2Ra,,,,,,RWRDJVNMSZYMDV-UHFFFAOYSA-L,,,,,,,,,,,
100.030.030,233-046-7,10025-87-3,Phosphoryl trichloride,phosphoric trichloride,ClP(=O)(Cl)Cl,ClP(=O)(Cl)Cl,"InChI=1/Cl3OP/c1-5(2,3)4",Cl3OP,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14557,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.030,XHXFXVLFKHQFAL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.066,229-771-3,6719-21-7,2-amino-2-cyanoacetamide,3-nitriloalaninamide,NC(C#N)C(=O)N,NC(C#N)C(=O)N,"InChI=1/C3H5N3O/c4-1-2(5)3(6)7/h2H,5H2,(H2,6,7)",C3H5N3O,,,,,,JRWAUKYINYWSTA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.068,229-773-4,6722-54-9,1-(2-methoxyphenethyl)piperazine,1-[2-(2-methoxyphenyl)ethyl]piperazine,COc1ccccc1CCN2CCNCC2,COc1ccccc1CCN2CCNCC2,"InChI=1/C13H20N2O/c1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15/h2-5,14H,6-11H2,1H3",C13H20N2O,,,,,,SMYVCLYJLPIIME-UHFFFAOYSA-N,,,,,,,,,,,
100.027.070,229-776-0,6724-91-0,"Dimethyl 4,4'-[1,6-hexanediylbis(iminocarbonyl)]bisbenzoate","dimethyl 4,4'-(hexane-1,6-diyldicarbamoyl)dibenzoate",COC(=O)c1ccc(cc1)C(=O)NCCCCCCNC(=O)c2ccc(cc2)C(=O)OC,COC(=O)c1ccc(cc1)C(=O)NCCCCCCNC(=O)c2ccc(cc2)C(=O)OC,"InChI=1/C24H28N2O6/c1-31-23(29)19-11-7-17(8-12-19)21(27)25-15-5-3-4-6-16-26-22(28)18-9-13-20(14-10-18)24(30)32-2/h7-14H,3-6,15-16H2,1-2H3,(H,25,27)(H,26,28)",C24H28N2O6,,,,,,TYXXDPQEUBEJHA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.075,229-781-8,6729-96-0,"Dioctadecyl 3,3'-dithiobispropionate","dioctadecyl 3,3'-disulfanediyldipropanoate",CCCCCCCCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C42H82O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-48-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",C42H82O4S2,,,,,,XPNWIWHUGHAVLC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.079,229-786-5,6735-35-9,"2,2'-(propylimino)bisethanol","2,2'-(propylimino)diethanol",CCCN(CCO)CCO,CCCN(CCO)CCO,"InChI=1/C7H17NO2/c1-2-3-8(4-6-9)5-7-10/h9-10H,2-7H2,1H3",C7H17NO2,,,,,,OZICRFXCUVKDRG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.082,229-789-1,6736-85-2,"1a(S)a,1bß,2ß,5aß,6ß,6aa-hexahydro-6-[(4-hydroxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl ß-D-glucopyranoside","2-(hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxybenzoate",OCC1OC(OC2OC=CC3C(OC(=O)c4ccc(O)cc4)C5OC5(CO)C23)C(O)C(O)C1O,OCC1OC(OC2OC=CC3C(OC(=O)c4ccc(O)cc4)C5OC5(CO)C23)C(O)C(O)C1O,"InChI=1/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",C22H26O12,,,,,,UXSACQOOWZMGSE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.083,229-790-7,6737-24-2,Hydroxy[(1-oxoallyl)amino]acetic acid,(acryloylamino)(hydroxy)acetic acid,OC(NC(=O)C=C)C(=O)O,OC(NC(=O)C=C)C(=O)O,"InChI=1/C5H7NO4/c1-2-3(7)6-4(8)5(9)10/h2,4,8H,1H2,(H,6,7)(H,9,10)",C5H7NO4,,,,,,NEYTXADIGVEHQD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.088,229-795-4,6738-27-8,"2,6-di-tert-butyl-4-ethylidenecyclohexa-2,5-en-1-one","2,6-di-tert-butyl-4-ethylidenecyclohexa-2,5-dien-1-one",CC=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,CC=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1/C16H24O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h8-10H,1-7H3",C16H24O,,,,,,KEJPWCIDZLVYDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.094,229-803-6,6740-86-9,1-bromocyclopentyl-o-chlorophenyl ketone,"bis[1-(1-bromocyclopentyl)-6-chlorocyclohexa-2,4-dien-1-yl]methanone",ClC1C=CC=CC1(C(=O)C2(C=CC=CC2Cl)C3(Br)CCCC3)C4(Br)CCCC4,ClC1C=CC=CC1(C(=O)C2(C=CC=CC2Cl)C3(Br)CCCC3)C4(Br)CCCC4,"InChI=1/C23H26Br2Cl2O/c24-20(11-5-6-12-20)22(15-3-1-9-17(22)26)19(28)23(16-4-2-10-18(23)27)21(25)13-7-8-14-21/h1-4,9-10,15-18H,5-8,11-14H2",C12H12BrClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16336,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.094,FQXYXKCUMHDHRM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.095,229-804-1,6740-88-1,Ketamine,2-(2-chlorophenyl)-2-(methylamino)cyclohexanone,CNC1(CCCCC1=O)c2ccccc2Cl,CNC1(CCCCC1=O)c2ccccc2Cl,"InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3",C13H16ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11298,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.095,YQEZLKZALYSWHR-UHFFFAOYSA-N,Positive,AU158606;EA282601|EA282602|EA282603|EA282604|EA282605|EA282606|EA282607|EA282608|EA282609|EA282610|EA282611|EA282612|EA282613|EA282614,[M+H]+;[M+H]+,CIDRAMP 19.4-29.1;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,125.0155:179.0622:127.0125;220.0888:207.0571:179.0622|238.0995:207.057:220.0884|238.0996:207.0572:220.0887|125.0153:179.0622:220.0886|125.0153:179.0622:163.0309|125.0153:163.0309:151.0309|125.0153:128.062:116.062|238.0995:220.0886:207.0572|238.0997:207.0573:220.0889|125.0153:179.0623:220.0887|125.0153:179.0622:163.0309|125.0153:163.0309:151.0309|125.0153:128.0621:116.0621|220.089:207.0574:179.0623,Athens_Univ;Eawag,,,,,
100.027.097,229-806-2,6742-54-7,Undecylbenzene,undecylbenzene,CCCCCCCCCCCc1ccccc1,CCCCCCCCCCCc1ccccc1,"InChI=1/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3",C17H28,,,,,,XBEADGFTLHRJRB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.098,229-807-8,6745-75-1,"2,5-dimethyl-p-anisaldehyde","4-methoxy-2,5-dimethylbenzaldehyde",COc1cc(C)c(C=O)cc1C,COc1cc(C)c(C=O)cc1C,"InChI=1/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H3",C10H12O2,,,,,,KYHULTSMPDXSLR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.102,229-812-5,6752-38-1,p-isocyanatobenzenesulphonyl chloride,4-isocyanatobenzenesulfonyl chloride,ClS(=O)(=O)c1ccc(cc1)N=C=O,ClS(=O)(=O)c1ccc(cc1)N=C=O,"InChI=1/C7H4ClNO3S/c8-13(11,12)7-3-1-6(2-4-7)9-5-10/h1-4H",C7H4ClNO3S,,,,,,PUXGCFRABSKGED-UHFFFAOYSA-N,,,,,,,,,,,
100.016.482,218-129-8,2051-78-7,Allyl butyrate,allyl butyrate,CCCC(=O)OCC=C,CCCC(=O)OCC=C,"InChI=1/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3",C7H12O2,,,,,,RMZIOVJHUJAAEY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.486,218-134-5,2051-90-3,Dichloro(diphenyl)methane,"1,1'-(dichloromethylene)dibenzene",ClC(Cl)(c1ccccc1)c2ccccc2,ClC(Cl)(c1ccccc1)c2ccccc2,"InChI=1/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C13H10Cl2,,,,,,OPTDDWCXQQYKGU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.487,218-135-0,2051-95-8,3-benzoylpropionic acid,4-oxo-4-phenylbutanoic acid,OC(=O)CCC(=O)c1ccccc1,OC(=O)CCC(=O)c1ccccc1,"InChI=1/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)",C10H10O3,,,,,,KMQLIDDEQAJAGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.489,218-137-1,2051-97-0,1-benzylpyrrole,1-benzyl-1H-pyrrole,C(c1ccccc1)n2cccc2,C(c1ccccc1)n2cccc2,"InChI=1/C11H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-9H,10H2",C11H11N,,,,,,FNEQHKCQXDKYEO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.490,218-138-7,2051-98-1,5-bromoacenaphthene,"5-bromo-1,2-dihydroacenaphthylene",Brc1ccc2CCc3cccc1c23,Brc1ccc2CCc3cccc1c23,"InChI=1/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2",C12H9Br,,,,,,QALKJGMGKYKMKE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.497,218-146-0,2052-46-2,"N,N-dimethylbenzene-1,4-diamine hydrochloride","N,N-dimethylbenzene-1,4-diamine hydrochloride",Cl.CN(C)c1ccc(N)cc1,Cl.CN(C)c1ccc(N)cc1,"InChI=1/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H",C8H12N2.ClH,,,,,,KTWNIUBGGFBRKH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.000,219-799-4,2/05/2536,"2,2'-methylenediphenyl diisocyanate","1,1'-methylenebis(2-isocyanatobenzene)",O=C=N\\c2ccccc2Cc1ccccc1/N=C=O,O=C=N\c2ccccc2Cc1ccccc1/N=C=O,"InChI=1/C15H10N2O2/c18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17-11-19/h1-8H,9H2",C15H10N2O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5799,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.000,JIABEENURMZTTI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.001,219-800-8,2536-31-4,Chlorflurenol,methyl 2-chloro-9-hydroxy-9H-fluorene-9-carboxylate,COC(=O)C1(O)c2ccccc2c3ccc(Cl)cc13,COC(=O)C1(O)c2ccccc2c3ccc(Cl)cc13,"InChI=1/C15H11ClO3/c1-19-14(17)15(18)12-5-3-2-4-10(12)11-7-6-9(16)8-13(11)15/h2-8,18H,1H3",C15H11ClO3,,,,,,LINPVWIEWJTEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.004,219-803-4,2537-29-3,Proxibarbal,"5-allyl-5-(2-hydroxypropyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CC(O)CC1(CC=C)C(=O)NC(=O)NC1=O,CC(O)CC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)",C10H14N2O4,,,,,,VNLMRPAWAMPLNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.005,219-805-5,2537-36-2,Tetramethylammonium perchlorate,"N,N,N-trimethylmethanaminium perchlorate",C[N+](C)(C)C.[O-]Cl(=O)(=O)=O,C[N+](C)(C)C.[O-]Cl(=O)(=O)=O,"InChI=1/C4H12N.ClHO4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;(H,2,3,4,5)/q+1;/p-1",C4H12N.ClO4,,,,,,ZCWKIFAQRXNZCH-UHFFFAOYSA-M,,,,,,,,,,,
100.022.500,224-748-4,4474-24-2,"Sodium 3,3'-(9,10-dioxoanthracene-1,4-diyldiimino)bis(2,4,6-trimethylbenzenesulphonate)","disodium 3,3'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]bis(2,4,6-trimethylbenzenesulfonate)",Cc1cc(C)c(c(C)c1Nc2ccc(Nc3c(C)cc(C)c(c3C)S(=O)(=O)O[Na])c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)O[Na],Cc1cc(C)c(c(C)c1Nc2ccc(Nc3c(C)cc(C)c(c3C)S(=O)(=O)O[Na])c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)O[Na],"InChI=1/C32H30N2O8S2.2Na/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42;;/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/rC32H28N2Na2O8S2/c1-15-13-17(3)31(45(39,40)43-35)19(5)27(15)33-23-11-12-24(26-25(23)29(37)21-9-7-8-10-22(21)30(26)38)34-28-16(2)14-18(4)32(20(28)6)46(41,42)44-36/h7-14,33-34H,1-6H3",C32H30N2O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17633,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.500,UHXQPQCJDDSMCB-UHFFFAOYSA-L,,,,,,,,,,,
100.022.501,224-750-5,1/04/4475,Octadecylmalonic acid,octadecylmalonic acid,CCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O,"InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(22)23)21(24)25/h19H,2-18H2,1H3,(H,22,23)(H,24,25)",C21H40O4,,,,,,WMUFHDYXFASDAE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.503,224-752-6,4475-95-0,2-amino-2-methylbutyronitrile,2-amino-2-methylbutanenitrile,CCC(C)(N)C#N,CCC(C)(N)C#N,"InChI=1/C5H10N2/c1-3-5(2,7)4-6/h3,7H2,1-2H3",C5H10N2,,,,,,JCLSEQJEXYHVTC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.506,224-755-2,4476-28-2,4-isopropylphenylacetic acid,(4-isopropylphenyl)acetic acid,CC(C)c1ccc(CC(=O)O)cc1,CC(C)c1ccc(CC(=O)O)cc1,"InChI=1/C11H14O2/c1-8(2)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)",C11H14O2,,,,,,RERBQXVRXYCGLT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.508,224-757-3,4477-79-6,"1-[[2,5-dimethyl-4-[(2-methylphenyl)azo]phenyl]azo]-2-naphthol","1-({2,5-dimethyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)-2-naphthol",Cc4ccccc4N=Nc1cc(C)c(cc1C)N=Nc2c3ccccc3ccc2O,Cc4ccccc4N=Nc1cc(C)c(cc1C)N=Nc2c3ccccc3ccc2O,"InChI=1/C25H22N4O/c1-16-8-4-7-11-21(16)26-27-22-14-18(3)23(15-17(22)2)28-29-25-20-10-6-5-9-19(20)12-13-24(25)30/h4-15,30H,1-3H3",C25H22N4O,,,,,,NRBKWAQSLYBVSG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.509,224-758-9,4478-63-1,"3,4-epoxy-4-methylpentan-2-one","1-(3,3-dimethyloxiran-2-yl)ethanone",CC(=O)C1OC1(C)C,CC(=O)C1OC1(C)C,"InChI=1/C6H10O2/c1-4(7)5-6(2,3)8-5/h5H,1-3H3",C6H10O2,,,,,,NNQKVIBIXATSIX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.236,224-458-8,4368-28-9,Tetrodotoxin,tetrodotoxin,O[C@H]3[C@]14NC(=N)N[C@H](O)[C@H]4[C@H]2O[C@]3(O)O[C@@H](C1O)[C@]2(O)CO,O[C@H]3[C@]14NC(=N)N[C@H](O)[C@H]4[C@H]2O[C@]3(O)O[C@@H](C1O)[C@]2(O)CO,"InChI=1/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)",C11H17N3O8,,,,,,CFMYXEVWODSLAX-HUILCFQTSA-N,,,,,,,,,,,
100.022.240,224-463-5,1/12/4370,Cyanoformamide,cyanoformamide,NC(=O)C#N,NC(=O)C#N,"InChI=1/C2H2N2O/c3-1-2(4)5/h(H2,4,5)",C2H2N2O,,,,,,YDVJBLJCSLVMSY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.246,224-469-8,4372-29-6,Decylmalonic acid,decylmalonic acid,CCCCCCCCCCC(C(=O)O)C(=O)O,CCCCCCCCCCC(C(=O)O)C(=O)O,"InChI=1/C13H24O4/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17/h11H,2-10H2,1H3,(H,14,15)(H,16,17)",C13H24O4,,,,,,HCUZVMHXDRSBKX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.500,218-149-7,2053-26-1,Papaverine hydrogen sulphate,"1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline sulfate",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OS(=O)(=O)O,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OS(=O)(=O)O,"InChI=1/C20H21NO4.H2O4S/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2,3)4/h5-8,10-12H,9H2,1-4H3;(H2,1,2,3,4)",C20H21NO4.H2O4S,,,,,,KYFCEOITJFJQGT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.511,218-161-2,2058-46-0,Oxytetracycline hydrochloride,"4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride",Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O,Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O,"InChI=1/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);1H",C22H24N2O9.ClH,,,,,,UBDNTYUBJLXUNN-IFLJXUKPSA-N,,,,,,,,,,,
100.016.515,218-165-4,2058-94-8,Henicosafluoroundecanoic acid,henicosafluoroundecanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)",C11HF21O2,,,,,,SIDINRCMMRKXGQ-UHFFFAOYSA-N,Negative,,,,,,EA272251|EA272252,[M-H]-,CID35|HCD15,518.9658|518.9647,Eawag
100.016.516,218-167-5,2061-86-1,"17-methylandrost-5-ene-(3ß,17ß)-diol diacetate","17-methylandrost-5-ene-3,17-diyl diacetate",CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(C)OC(=O)C)C3CC=C2C1,CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(C)OC(=O)C)C3CC=C2C1,"InChI=1/C24H36O4/c1-15(25)27-18-8-11-22(3)17(14-18)6-7-19-20(22)9-12-23(4)21(19)10-13-24(23,5)28-16(2)26/h6,18-21H,7-14H2,1-5H3",C24H36O4,,,,,,HHCVPHSEENQSLU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.518,218-169-6,2062-26-2,p-(trifluoromethyl)cinnamic acid,3-[4-(trifluoromethyl)phenyl]acrylic acid,OC(=O)\\C=C\\c1ccc(cc1)C(F)(F)F,OC(=O)\C=C\c1ccc(cc1)C(F)(F)F,"InChI=1/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)",C10H7F3O2,,,,,,ANRMAUMHJREENI-ZZXKWVIFSA-N,,,,,,,,,,,
100.015.063,216-569-5,1616-88-2,2-methoxyethyl carbamate,2-methoxyethyl carbamate,COCCOC(=O)N,COCCOC(=O)N,"InChI=1/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6)",C4H9NO3,,,,,,QAQJKDRAJZWQCM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.066,216-572-1,1617-23-8,Ethyl 2-methylpent-3-en-1-oate,ethyl 2-methylpent-3-enoate,CC=CC(C)C(=O)OCC,CC=CC(C)C(=O)OCC,"InChI=1/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3",C8H14O2,,,,,,HOWBPXBYCPKWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.068,216-574-2,1617-40-9,Ethyl (E)-2-methylpent-2-en-1-oate,ethyl 2-methylpent-2-enoate,CCOC(=O)\\C(=C\\CC)\\C,CCOC(=O)\C(=C\CC)\C,"InChI=1/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3",C8H14O2,,,,,,HYQYCHQAUPHFKX-VOTSOKGWSA-N,,,,,,,,,,,
100.015.070,216-576-3,1617-90-9,Vincamine,"methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate",COC(=O)[C@@]3(O)C[C@@]5(CCCN4CCc2c(n3c1ccccc12)[C@@H]45)CC,COC(=O)[C@@]3(O)C[C@@]5(CCCN4CCc2c(n3c1ccccc12)[C@@H]45)CC,"InChI=1/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3",C21H26N2O3,,,,,,RXPRRQLKFXBCSJ-GIVPXCGWSA-N,,,,,,,,,,,
100.015.092,216-600-2,1623-05-8,"1,1,1,2,2,3,3-heptafluoro-3-[(trifluorovinyl)oxy]propane","1,1,1,2,2,3,3-heptafluoro-3-[(trifluorovinyl)oxy]propane",FC(=C(F)OC(F)(F)C(F)(F)C(F)(F)F)F,FC(=C(F)OC(F)(F)C(F)(F)C(F)(F)F)F,"InChI=1/C5F10O/c6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13",C5F10O,,,,,,KHXKESCWFMPTFT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.094,216-602-3,1623-08-1,Dibenzyl hydrogen phosphate,dibenzyl hydrogen phosphate,OP(=O)(OCc1ccccc1)OCc2ccccc2,OP(=O)(OCc1ccccc1)OCc2ccccc2,"InChI=1/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)",C14H15O4P,,,,,,HDFFVHSMHLDSLO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.099,216-608-6,1623-88-7,5-(chloromethyl)-2-furaldehyde,5-(chloromethyl)-2-furaldehyde,ClCc1oc(C=O)cc1,ClCc1oc(C=O)cc1,"InChI=1/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2",C6H5ClO2,,,,,,KAZRCBVXUOCTIO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.046,219-850-0,2550-33-6,tert-butyl 2-ethylperoxybutyrate,tert-butyl 2-(ethylperoxy)butanoate,CCOOC(CC)C(=O)OC(C)(C)C,CCOOC(CC)C(=O)OC(C)(C)C,"InChI=1/C10H20O4/c1-6-8(14-12-7-2)9(11)13-10(3,4)5/h8H,6-7H2,1-5H3",C10H20O3,,,,,,UZBQXCLZZCMYAP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.052,219-856-3,2552-91-2,(+)-neomenthyl acetate,2-isopropyl-5-methylcyclohexyl acetate,CC(C)C1CCC(C)CC1OC(=O)C,CC(C)C1CCC(C)CC1OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,XHXUANMFYXWVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.053,219-857-9,2553-04-0,2-methoxybenzophenone,(2-methoxyphenyl)(phenyl)methanone,COc1ccccc1C(=O)c2ccccc2,COc1ccccc1C(=O)c2ccccc2,"InChI=1/C14H12O2/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3",C14H12O2,,,,,,CSUUDNFYSFENAE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.543,224-796-6,4498-99-1,p-xylene-a-thiol,(4-methylphenyl)methanethiol,Cc1ccc(CS)cc1,Cc1ccc(CS)cc1,"InChI=1/C8H10S/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3",C8H10S,,,,,,AGFYZLVFPSGUIX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.546,224-799-2,4499-83-6,"1,1':4',1'':4'',1''':4''',1'''':4'''',1'''''-sexiphenyl","1,1':4',1'':4'',1''':4''',1'''':4'''',1'''''-sexiphenyl",c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(cc4)c5ccc(cc5)c6ccccc6,c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(cc4)c5ccc(cc5)c6ccccc6,InChI=1/C36H26/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H,C36H26,,,,,,ZEMDSNVUUOCIED-UHFFFAOYSA-N,,,,,,,,,,,
100.022.547,224-800-6,4499-86-9,Tetrapropylammonium hydroxide,"N,N,N-tripropylpropan-1-aminium hydroxide",[OH-].CCC[N+](CCC)(CCC)CCC,[OH-].CCC[N+](CCC)(CCC)CCC,"InChI=1/C12H28N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H2/q+1;/p-1",C12H28N.HO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10485,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.547,LPSKDVINWQNWFE-UHFFFAOYSA-M,,,,,,,,,,,
100.022.552,224-805-3,4499-96-1,Lithium heptadecanoate,lithium heptadecanoate,[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/7C10H20O2.7Li/c7*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;/h7*2-9H2,1H3,(H,11,12);;;;;;;/q;;;;;;;7*+1/p-7",C17H34O2.Li,,,,,,LLPYCUAEPUHWLY-UHFFFAOYSA-G,,,,,,,,,,,
100.022.554,224-807-4,3/12/4500,"Tricyclo[3.3.1.13,7]decanone oxime",adamantan-2-one oxime,ON=C1C2CC3CC(CC1C3)C2,ON=C1C2CC3CC(CC1C3)C2,"InChI=1/C10H15NO/c12-11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9,12H,1-5H2",C10H15NO,,,,,,RABVIFXMFZFITE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.556,224-810-0,4500-31-6,2-(dicyclohexylamino)ethanol,2-(dicyclohexylamino)ethanol,OCCN(C1CCCCC1)C2CCCCC2,OCCN(C1CCCCC1)C2CCCCC2,"InChI=1/C14H27NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14,16H,1-12H2",C14H27NO,,,,,,LLTGNYZQUXACFO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.565,224-820-5,4504-87-4,"Dibenz[b,e]oxepin-11(6H)-one","dibenzo[b,e]oxepin-11(6H)-one",O=C1c2ccccc2COc3ccccc13,O=C1c2ccccc2COc3ccccc13,"InChI=1/C14H10O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2",C14H10O2,,,,,,YUSHFLBKQQILNV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.566,224-821-0,4504-88-5,"11-[3-(dimethylamino)propyl]-6,11-dihydrodibenz[b,e]oxepin-11-ol","11-[3-(dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol",CN(C)CCCC1(O)c2ccccc2COc3ccccc13,CN(C)CCCC1(O)c2ccccc2COc3ccccc13,"InChI=1/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3",C19H23NO2,,,,,,ZEKLFUWSVQYTOO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.570,224-825-2,4507-98-6,"3,3'-dioxybis[3,5,5-trimethyl-1,2-dioxolane]","3,3'-dioxybis(3,5,5-trimethyl-1,2-dioxolane)",CC1(C)CC(C)(OOC2(C)CC(C)(C)OO2)OO1,CC1(C)CC(C)(OOC2(C)CC(C)(C)OO2)OO1,"InChI=1/C12H22O6/c1-9(2)7-11(5,15-13-9)17-18-12(6)8-10(3,4)14-16-12/h7-8H2,1-6H3",C12H22O6,,,,,,POYUZXCADUJUPK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.572,224-827-3,9/11/4509,"6-oxa-3-thiabicyclo[3.1.0]hexane 3,3-dioxide","6-oxa-3-thiabicyclo[3.1.0]hexane 3,3-dioxide",O=S1(=O)CC2OC2C1,O=S1(=O)CC2OC2C1,"InChI=1/C4H6O3S/c5-8(6)1-3-4(2-8)7-3/h3-4H,1-2H2",C4H6O3S,,,,,,SZAIAWVGWTXVMB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.580,224-836-2,4513-56-8,2-bromoethyl methacrylate,2-bromoethyl methacrylate,CC(=C)C(=O)OCCBr,CC(=C)C(=O)OCCBr,"InChI=1/C6H9BrO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3",C6H9BrO2,,,,,,AOUSBQVEVZBMNI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.581,224-837-8,4513-62-6,Dimethyl 2-methyl-5-methyleneadipate,dimethyl 2-methyl-5-methylenehexanedioate,COC(=O)C(C)CCC(=C)C(=O)OC,COC(=O)C(C)CCC(=C)C(=O)OC,"InChI=1/C10H16O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h8H,1,5-6H2,2-4H3",C10H16O4,,,,,,SUISJNPVANLQPB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.582,224-838-3,4515-23-5,"(S)-benzyl (tetrahydro-2,5-dioxo-3-furyl)carbamate","benzyl (2,5-dioxotetrahydrofuran-3-yl)carbamate",O=C(NC1CC(=O)OC1=O)OCc2ccccc2,O=C(NC1CC(=O)OC1=O)OCc2ccccc2,"InChI=1/C12H11NO5/c14-10-6-9(11(15)18-10)13-12(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)",C12H11NO5,,,,,,OZPYEGOBGWQOSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.103,229-813-0,6752-80-3,"(E)-2,6-dimethylocta-5,7-dien-4-one","2,6-dimethylocta-5,7-dien-4-one",CC(C)CC(=O)\\C=C(/C)\\C=C,CC(C)CC(=O)\C=C(/C)\C=C,"InChI=1/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3",C10H16O,,,,,,RJXKHBTYHGBOKV-VQHVLOKHSA-N,,,,,,,,,,,
100.027.104,229-814-6,6753-24-8,"Butyl 4-(2,4-dichlorophenoxy)butyrate","butyl 4-(2,4-dichlorophenoxy)butanoate",CCCCOC(=O)CCCOc1ccc(Cl)cc1Cl,CCCCOC(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C14H18Cl2O3/c1-2-3-8-19-14(17)5-4-9-18-13-7-6-11(15)10-12(13)16/h6-7,10H,2-5,8-9H2,1H3",C14H18Cl2O3,,,,,,IXXKVXJYFVAQBI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.105,229-815-1,6753-47-5,"4-amino-3,5,6-trichloropyridine-2-carboxylic acid, compound with 1,1',1''-nitrilotripropan-2-ol (1:1)","4-amino-3,5,6-trichloropyridine-2-carboxylic acid - 1,1',1''-nitrilotripropan-2-ol (1:1)",CC(O)CN(CC(C)O)CC(C)O.Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,CC(O)CN(CC(C)O)CC(C)O.Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,"InChI=1/C9H21NO3.C6H3Cl3N2O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-1-3(10)2(8)5(9)11-4(1)6(12)13/h7-9,11-13H,4-6H2,1-3H3;(H2,10,11)(H,12,13)",C9H21NO3.C6H3Cl3N2O2,,,,,,XQVYHLBQRMKACP-UHFFFAOYSA-N,,,,,,,,,,,
100.027.106,229-816-7,6753-98-6,Humulene,"2,6,6,9-tetramethylcycloundeca-1,4,8-triene",C\\C\\1=C/CC(C)(C)\\C=C\\C\\C(=C\\CC1)\\C,C\C\1=C/CC(C)(C)\C=C\C\C(=C\CC1)\C,"InChI=1/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3",C15H24,,,,,,FAMPSKZZVDUYOS-HRGUGZIWSA-N,,,,,,,,,,,
100.027.110,229-820-9,6758-40-3,N-(4-nitrobenzoyl)-L-glutamic acid hemihydrate,N-(4-nitrobenzoyl)glutamic acid,OC(=O)CCC(NC(=O)c1ccc(cc1)N(=O)=O)C(=O)O,OC(=O)CCC(NC(=O)c1ccc(cc1)N(=O)=O)C(=O)O,"InChI=1/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)",C12H12N2O7,,,,,,NOJZBJAFCSWMKC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.645,229-309-0,6/09/6471,"Trisodium 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate","trisodium 5-[(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-2-sulfonatophenyl}amino)-6-anilino-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc8nc(Nc3ccccc3)nc(Nc7ccc(Nc6cc(c(N)c5C(=O)c4ccccc4C(=O)c56)S([O-])(=O)=O)cc7S([O-])(=O)=O)n8,[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc8nc(Nc3ccccc3)nc(Nc7ccc(Nc6cc(c(N)c5C(=O)c4ccccc4C(=O)c56)S([O-])(=O)=O)cc7S([O-])(=O)=O)n8,"InChI=1/C42H30N10O11S2.3Na/c43-36-33(65(61,62)63)20-30(34-35(36)38(55)27-9-5-4-8-26(27)37(34)54)44-24-14-16-29(32(19-24)64(58,59)60)47-42-49-40(45-21-6-2-1-3-7-21)48-41(50-42)46-22-10-12-23(13-11-22)51-52-25-15-17-31(53)28(18-25)39(56)57;;;/h1-20,44,53H,43H2,(H,56,57)(H,58,59,60)(H,61,62,63)(H3,45,46,47,48,49,50);;;/q;3*+1/p-3",C42H30N10O11S2.3Na,,,,,,UCVWVXRLJHYZLF-UHFFFAOYSA-K,,,,,,,,,,,
100.026.649,229-313-2,6471-49-4,3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-N-(3-nitrophenyl)naphthalene-2-carboxamide,3-hydroxy-4-[(2-methoxy-5-nitrophenyl)diazenyl]-N-(3-nitrophenyl)-2-naphthamide,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1cccc(c1)[N+]([O-])=O)c2O)[N+]([O-])=O,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1cccc(c1)[N+]([O-])=O)c2O)[N+]([O-])=O,"InChI=1/C24H17N5O7/c1-36-21-10-9-17(29(34)35)13-20(21)26-27-22-18-8-3-2-5-14(18)11-19(23(22)30)24(31)25-15-6-4-7-16(12-15)28(32)33/h2-13,30H,1H3,(H,25,31)",C24H17N5O7,,,,,,SOFRHZUTPGJWAM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.650,229-314-8,6471-50-7,4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide,4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide,Clc4cc(c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)cc4)[N+]([O-])=O,Clc4cc(c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)cc4)[N+]([O-])=O,"InChI=1/C24H17ClN4O4/c1-14-6-2-5-9-19(14)26-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)28-27-20-11-10-16(25)13-21(20)29(32)33/h2-13,30H,1H3,(H,26,31)",C24H17ClN4O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10056,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.650,WXHYPQWKGYEJKW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.657,229-322-1,6472-58-8,3-methoxysulphanilic acid,4-amino-3-methoxybenzenesulfonic acid,COc1cc(ccc1N)S(=O)(=O)O,COc1cc(ccc1N)S(=O)(=O)O,"InChI=1/C7H9NO4S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO4S,,,,,,DFFMMDIDNCWQIV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.665,229-331-0,6474-90-4,"Methyl (19a,20a)-16,17-didehydro-19-methyloxayohimban-16-carboxylate","methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate",COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3",C21H24N2O3,,,,,,GRTOGORTSDXSFK-DLLGKBFGSA-N,,,,,,,,,,,
100.026.670,229-336-8,2/04/6478,1-chloro-3-mercaptopropan-2-ol,1-chloro-3-sulfanylpropan-2-ol,OC(CS)CCl,OC(CS)CCl,"InChI=1/C3H7ClOS/c4-1-3(5)2-6/h3,5-6H,1-2H2",C3H7ClOS,,,,,,VHPMKWNWJJDEEC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.679,229-346-2,6484-25-9,4-chloro-2-phenylquinazoline,4-chloro-2-phenylquinazoline,Clc1nc(nc2ccccc12)c3ccccc3,Clc1nc(nc2ccccc12)c3ccccc3,InChI=1/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H,C14H9ClN2,,,,,,OBHKONRNYCDRKM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.529,224-780-9,4489-14-9,"(1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl chloride","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbonyl chloride",CC(=CC1[C@@H](C(=O)Cl)C1(C)C)C,CC(=CC1[C@@H](C(=O)Cl)C1(C)C)C,"InChI=1/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3",C10H15ClO,,,,,,VNTCVNLNEOVBEE-MQWKRIRWSA-N,,,,,,,,,,,
100.022.536,224-788-2,4495-66-3,p-benzyloxypropiophenone,1-[4-(benzyloxy)phenyl]propan-1-one,CCC(=O)c1ccc(OCc2ccccc2)cc1,CCC(=O)c1ccc(OCc2ccccc2)cc1,"InChI=1/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3",C16H16O2,,,,,,IKFGSOJYHVTNDV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.538,224-790-3,6/05/4497,Tetradecanophenone,1-phenyltetradecan-1-one,CCCCCCCCCCCCCC(=O)c1ccccc1,CCCCCCCCCCCCCC(=O)c1ccccc1,"InChI=1/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3",C20H32O,,,,,,LXUIUVLDNRQBQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.541,224-794-5,4498-67-3,1H-indazole-3-carboxylic acid,2H-indazole-3-carboxylic acid,OC(=O)c1[nH]nc2ccccc12,OC(=O)c1[nH]nc2ccccc12,"InChI=1/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12)",C8H6N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12020,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.541,BHXVYTQDWMQVBI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.842,217-425-4,1845-59-6,"[1S-(1a,2ß,5a)]-5-(isopropyl)-2-methylcyclohexan-1-ol",5-isopropyl-2-methylcyclohexanol,CC(C)C1CCC(C)C(O)C1,CC(C)C1CCC(C)C(O)C1,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,ULJXKUJMXIVDOY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.843,217-427-5,1846-68-0,Oct-2-ynal,oct-2-ynal,CCCCCC#CC=O,CCCCCC#CC=O,"InChI=1/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3",C8H12O,,,,,,DUUGWLGPIZCNLM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.847,217-431-7,1847-58-1,Sodium 2-(dodecyloxy)-2-oxoethane-1-sulphonate,sodium 2-(dodecyloxy)-2-oxoethanesulfonate,[Na+].CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-],"InChI=1/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1",C14H28O5S.Na,,,,,,UAJTZZNRJCKXJN-UHFFFAOYSA-M,,,,,,,,,,,
100.015.849,217-433-8,1848-84-6,2-ethyl-1H-benzimidazole,2-ethyl-1H-benzimidazole,CCc1nc2ccccc2[nH]1,CCc1nc2ccccc2[nH]1,"InChI=1/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)",C9H10N2,,,,,,QHCCOYAKYCWDOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.850,217-434-3,1849-18-9,"2,4-di-sec-butylphenol","2,4-di-sec-butylphenol",CCC(C)c1ccc(O)c(c1)C(C)CC,CCC(C)c1ccc(O)c(c1)C(C)CC,"InChI=1/C14H22O/c1-5-10(3)12-7-8-14(15)13(9-12)11(4)6-2/h7-11,15H,5-6H2,1-4H3",C14H22O,,,,,,JERZAOOJWPHIDG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.855,217-440-6,1852-04-6,Undecanedioic acid,undecanedioic acid,OC(=O)CCCCCCCCCC(=O)O,OC(=O)CCCCCCCCCC(=O)O,"InChI=1/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)",C11H20O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12183,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.855,LWBHHRRTOZQPDM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.864,217-450-0,1854-23-5,"4,4'-(2-ethyl-2-nitropropane-1,3-diyl)bismorpholine",4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine,CCC(CN1CCOCC1)(CN2CCOCC2)[N+](=O)[O-],CCC(CN1CCOCC1)(CN2CCOCC2)[N+](=O)[O-],"InChI=1/C13H25N3O4/c1-2-13(16(17)18,11-14-3-7-19-8-4-14)12-15-5-9-20-10-6-15/h2-12H2,1H3",C13H25N3O4,,,,,,XPGDDCOXMUFUCB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.868,217-454-2,1855-63-6,Cyclohexenecarbonitrile,cyclohex-1-ene-1-carbonitrile,N#CC1=CCCCC1,N#CC1=CCCCC1,"InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2",C7H9N,,,,,,GTMWGXABXQTZRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.870,217-456-3,1856-98-0,"3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid","3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid",CCC1=C(C)C(=O)NC1Cc2[nH]c(\\C=C\\3/N=C(CC4NC(=O)C(=C4C)CC)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C,CCC1=C(C)C(=O)NC1Cc2[nH]c(\C=C\3/N=C(CC4NC(=O)C(=C4C)CC)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C,"InChI=1/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)",C33H42N4O6,,,,,,KDCCOOGTVSRCHX-MBTHVWNTSA-N,,,,,,,,,,,
100.015.874,217-461-0,1860-26-0,"2-ethyl-N,N-bis(2-ethylhexyl)hexylamine","2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine",CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC,CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC,"InChI=1/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",C24H51N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11553,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.874,BZUDVELGTZDOIG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.875,217-462-6,1860-60-2,3-(benzyloxy)-4-methoxybenzyl alcohol,[3-(benzyloxy)-4-methoxyphenyl]methanol,COc1ccc(CO)cc1OCc2ccccc2,COc1ccc(CO)cc1OCc2ccccc2,"InChI=1/C15H16O3/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3",C15H16O3,,,,,,USBKCBSYNCWKLB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.877,217-464-7,1861-32-1,Chlorthal-dimethyl,"dimethyl 2,3,5,6-tetrachloroterephthalate",COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,InChI=1/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3,C10H6Cl4O4,,,,,,NPOJQCVWMSKXDN-UHFFFAOYSA-N,Positive,EQ370101|EQ370102|EQ370103|EQ370104|EQ370105|EQ370106|EQ370107|EQ370108|EQ370109,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,330.9097:98.9843:298.8833|98.9843:298.8835:330.9096|98.9843:298.8835:270.8884|98.9843:220.8962:270.8884|98.9843:220.8962:164.9062|98.9843:164.9062:220.8961|98.9843:164.9062:129.9373|98.9843:129.9373:164.9062|98.9843:129.9373:141.9373,Eawag,,,,,
100.015.105,216-614-9,1625-39-4,"11-ß,17-a,21-trihydroxy-6-a-methylpregn-4-ene-3,20-dione","11,17,21-trihydroxy-6-methylpregn-4-ene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14,"InChI=1/C22H32O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,23,25,27H,4-8,10-11H2,1-3H3",C22H32O5,,,,,,FQWLSWNUHFREIQ-PJHHCJLFSA-N,,,,,,,,,,,
100.015.108,216-618-0,1627-73-2,Benzaldehyde thiosemicarbazone,benzaldehyde thiosemicarbazone,NC(=S)N\\N=C\\c1ccccc1,NC(=S)N\N=C\c1ccccc1,"InChI=1/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)",C8H9N3S,,,,,,UYHCMAZIKNVDSX-UXBLZVDNSA-N,,,,,,,,,,,
100.015.110,216-620-1,1628-11-1,Dichloro(3-chloro-2-methylpropyl)methylsilane,dichloro(3-chloro-2-methylpropyl)methylsilane,CC(CCl)C[Si](C)(Cl)Cl,CC(CCl)C[Si](C)(Cl)Cl,"InChI=1/C5H11Cl3Si/c1-5(3-6)4-9(2,7)8/h5H,3-4H2,1-2H3",C5H11Cl3Si,,,,,,JEISLJAYCUUJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.121,223-232-6,3776-92-9,(+)-furfurylmethyl(a-methylphenethyl)ammonium cyclohexylsulphamate,N-(2-furylmethyl)-N-methyl-1-phenylpropan-2-aminium cyclohexylsulfamate,CC(Cc1ccccc1)[NH+](C)Cc2occc2.[O-]S(=O)(=O)NC3CCCCC3,CC(Cc1ccccc1)[NH+](C)Cc2occc2.[O-]S(=O)(=O)NC3CCCCC3,"InChI=1/C15H19NO.C6H13NO3S/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15;8-11(9,10)7-6-4-2-1-3-5-6/h3-10,13H,11-12H2,1-2H3;6-7H,1-5H2,(H,8,9,10)",C15H19NO.C6H13NO3S,,,,,,AVANVRBQOCVTLV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.122,223-233-1,3776-93-0,Furfenorex,N-(2-furylmethyl)-N-methyl-1-phenylpropan-2-amine,CC(Cc1ccccc1)N(C)Cc2occc2,CC(Cc1ccccc1)N(C)Cc2occc2,"InChI=1/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3",C15H19NO,,,,,,DLGIIZAHQPTVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.123,223-234-7,3777-69-3,2-pentylfuran,2-pentylfuran,CCCCCc1occc1,CCCCCc1occc1,"InChI=1/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3",C9H14O,,,,,,YVBAUDVGOFCUSG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.131,217-743-3,1945-77-3,"Tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[[6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene]methylene]]bis[N-(carboxylatomethyl)aminoacetate] S,S-dioxide","tetrasodium 2,2',2'',2'''-{(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene)methylenenitrilo]}tetraacetate",CC(C)c1cc(c(C)c(CN(CC(=O)O[Na])CC(=O)O[Na])c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(CN(CC(=O)O[Na])CC(=O)O[Na])c4C,CC(C)c1cc(c(C)c(CN(CC(=O)O[Na])CC(=O)O[Na])c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(CN(CC(=O)O[Na])CC(=O)O[Na])c4C,"InChI=1/C37H44N2O13S.4Na/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47;;;;/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47);;;;/q;4*+1/p-4",C37H44N2O13S.4Na,,,,,,DIZZDZCUMBBRSG-UHFFFAOYSA-J,,,,,,,,,,,
100.016.134,217-747-5,1946-82-3,N-a-acetyl-L-lysine,N~2~-acetyl-L-lysine,CC(=O)N[C@@H](CCCCN)C(=O)O,CC(=O)N[C@@H](CCCCN)C(=O)O,"InChI=1/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)",C8H16N2O3,,,,,,VEYYWZRYIYDQJM-ZETCQYMHSA-N,,,,,,,,,,,
100.016.137,217-750-1,1947-58-6,"(R*,R*)-(±)-2,3-dibromobutane-1,4-diol","2,3-dibromobutane-1,4-diol",OCC(Br)C(Br)CO,OCC(Br)C(Br)CO,"InChI=1/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2",C4H8Br2O2,,,,,,OXYNQEOLHRWEPE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.142,217-755-9,1948-52-3,S-propyl propane-1-thiosulphinate,S-propyl propane-1-sulfinothioate,CCCSS(=O)CCC,CCCSS(=O)CCC,"InChI=1/C6H14OS2/c1-3-5-8-9(7)6-4-2/h3-6H2,1-2H3",C6H14OS2,,,,,,XPRZAEWSYWTDSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.145,217-759-0,1949-19-5,Oxolamine dihydrogen phosphate,"N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine phosphate",CCN(CC)CCc1onc(n1)c2ccccc2.OP(=O)(O)O,CCN(CC)CCc1onc(n1)c2ccccc2.OP(=O)(O)O,"InChI=1/C14H19N3O.H3O4P/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;1-5(2,3)4/h5-9H,3-4,10-11H2,1-2H3;(H3,1,2,3,4)",C14H19N3O.xH3O4P,,,,,,PSCWWFOVTFSDGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.153,217-767-4,1950-39-6,"N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxysuccinamide monohydrochloride",N'-{5-[acetyl(hydroxy)amino]pentyl}-N-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N-hydroxysuccinamide hydrochloride,Cl.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,Cl.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,"InChI=1/C25H48N6O8.ClH/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H",C25H48N6O8.ClH,,,,,,KCRQZLMAZHZDCL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.158,217-773-7,1951-26-4,"(2-butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone","(2-butyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone",CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3,CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3,"InChI=1/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3",C19H16I2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18525,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.158,PNFMEGSMKIHDFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.975,219-772-7,2528-36-1,Dibutyl phenyl phosphate,dibutyl phenyl phosphate,CCCCOP(=O)(OCCCC)Oc1ccccc1,CCCCOP(=O)(OCCCC)Oc1ccccc1,"InChI=1/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3",C14H23O4P,,,,,,YICSVBJRVMLQNS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.892,217-480-4,1866-68-8,Dilithium carbamoyl phosphate,dilithium carbamoyl phosphate,[Li+].[Li+].NC(=O)OP(=O)([O-])[O-],[Li+].[Li+].NC(=O)OP(=O)([O-])[O-],"InChI=1/CH4NO5P.2Li/c2-1(3)7-8(4,5)6;;/h(H2,2,3)(H2,4,5,6);;/q;2*+1/p-2",CH4NO5P.2Li,,,,,,TUHZSMCNIUXAIJ-UHFFFAOYSA-L,,,,,,,,,,,
100.015.895,217-484-6,1867-66-9,Ketamine hydrochloride,2-(2-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride,Cl.CNC1(CCCCC1=O)c2ccccc2Cl,Cl.CNC1(CCCCC1=O)c2ccccc2Cl,"InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H",C13H16ClNO.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11308,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.895,VCMGMSHEPQENPE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.898,217-487-2,1869-92-7,Dexamethasone 21-(sodium hydrogen phosphate),"sodium 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hydrogen phosphate",CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O[Na],CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O[Na],"InChI=1/C22H30FO8P.Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);/q;+1/p-1/rC22H29FNaO8P/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-31-33(29,30)32-24/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3,(H,29,30)",C22H30FO8P.Na,,,,,,MQRFYYBWKRACSJ-UHFFFAOYSA-M,,,,,,,,,,,
100.015.906,217-496-1,1873-88-7,"1,1,1,3,5,5,5-heptamethyltrisiloxane","1,1,1,3,5,5,5-heptamethyltrisiloxane",C[SiH](O[Si](C)(C)C)O[Si](C)(C)C,C[SiH](O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C7H22O2Si3/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,1-7H3",C7H22O2Si3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15810,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.906,QNWOFLWXQGHSRH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.910,217-500-1,1874-41-5,"2-(3-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole","2-(3-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole",COc1cccc(c1)c2oc(nn2)c3ccccc3,COc1cccc(c1)c2oc(nn2)c3ccccc3,"InChI=1/C15H12N2O2/c1-18-13-9-5-8-12(10-13)15-17-16-14(19-15)11-6-3-2-4-7-11/h2-10H,1H3",C15H12N2O2,,,,,,OJJKBDBWNZRBFI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.915,217-505-9,1875-48-5,N-aminophthalimide,"2-amino-1H-isoindole-1,3(2H)-dione",NN1C(=O)c2ccccc2C1=O,NN1C(=O)c2ccccc2C1=O,"InChI=1/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2",C8H6N2O2,,,,,,KSILMCDYDAKOJD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.916,217-506-4,1875-88-3,p-chlorophenethylic alcohol,2-(4-chlorophenyl)ethanol,OCCc1ccc(Cl)cc1,OCCc1ccc(Cl)cc1,"InChI=1/C8H9ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2",C8H9ClO,,,,,,HZFRKZWBVUJYDA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.917,217-508-5,1875-89-4,2-m-tolylethanol,2-(3-methylphenyl)ethanol,Cc1cccc(CCO)c1,Cc1cccc(CCO)c1,"InChI=1/C9H12O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7,10H,5-6H2,1H3",C9H12O,,,,,,KWHVBVJDKLSOTB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.919,217-510-6,1876-02-4,"Magnesium 9,10-epoxyoctadecanoate",magnesium bis[8-(3-octyloxiran-2-yl)octanoate],[Mg+2].CCCCCCCCC1OC1CCCCCCCC(=O)[O-].CCCCCCCCC2OC2CCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCC1OC1CCCCCCCC(=O)[O-].CCCCCCCCC2OC2CCCCCCCC(=O)[O-],"InChI=1/2C18H34O3.Mg/c2*1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20;/h2*16-17H,2-15H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O3.1/2Mg,,,,,,MOGLZRQEPQIMMX-UHFFFAOYSA-L,,,,,,,,,,,
100.015.924,217-515-3,1878-18-8,2-methylbutane-1-thiol,2-methylbutane-1-thiol,CCC(C)CS,CCC(C)CS,"InChI=1/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",C5H12S,,,,,,WGQKBCSACFQGQY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.926,217-517-4,1878-49-5,o-tolyloxyacetic acid,(2-methylphenoxy)acetic acid,Cc1ccccc1OCC(=O)O,Cc1ccccc1OCC(=O)O,"InChI=1/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O3,,,,,,QJVXBRUGKLCUMY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.934,217-526-3,1878-85-9,(2-methoxyphenoxy)acetic acid,(2-methoxyphenoxy)acetic acid,COc1ccccc1OCC(=O)O,COc1ccccc1OCC(=O)O,"InChI=1/C9H10O4/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O4,,,,,,IHONYPFTXGQWAX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.936,217-528-4,1878-88-2,(3-nitrophenoxy)acetic acid,(3-nitrophenoxy)acetic acid,OC(=O)COc1cccc(c1)[N+](=O)[O-],OC(=O)COc1cccc(c1)[N+](=O)[O-],"InChI=1/C8H7NO5/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)",C8H7NO5,,,,,,BNRRQAASFDGMMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.937,217-530-5,1878-91-7,(4-bromophenoxy)acetic acid,(4-bromophenoxy)acetic acid,OC(=O)COc1ccc(Br)cc1,OC(=O)COc1ccc(Br)cc1,"InChI=1/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7BrO3,,,,,,SZEBGAQWWSUOHT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.938,217-531-0,1878-94-0,(p-iodophenoxy)acetic acid,(4-iodophenoxy)acetic acid,OC(=O)COc1ccc(I)cc1,OC(=O)COc1ccc(I)cc1,"InChI=1/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7IO3,,,,,,RKORKXFKXYYHAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.867,227-353-5,5802-61-9,"N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropylamine","N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropan-1-amine",CN(C)CCC=C1c3ccsc3SCc2ccccc12,CN(C)CCC=C1c3ccsc3SCc2ccccc12,"InChI=1/C17H19NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-9,11H,5,10,12H2,1-2H3",C17H19NS2,,,,,,ZLJLUTCIUOCIQM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.681,229-348-3,6484-89-5,Sodium folate,"disodium 2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoyl)amino]pentanedioate",NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O[Na])C(=O)O[Na])cnc2N1,NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O[Na])C(=O)O[Na])cnc2N1,"InChI=1/C19H19N7O6.2Na/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);;/q;2*+1/p-2",C19H19N7O6.Na,,,,,,SWIRFWUEJODNRG-UHFFFAOYSA-L,,,,,,,,,,,
100.026.682,229-349-9,6485-34-3,"1,2-benzisothiazol-3(2H)-one 1,1-dioxide, calcium salt",-,[Ca+2].O=C1NS(=O)(=O)c2ccccc12,[Ca+2].O=C1NS(=O)(=O)c2ccccc12,"InChI=1/C7H5NO3S.Ca/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+2",C7H5NO3S.1/2Ca,,,,,,BRWLYWGIEMGRGS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.166,233-196-3,10061-10-6,Uridylyl(5'<U+2192>2')adenosine,-,Nc1ncnc2c1ncn2C3OC(CO)C(O)C3OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=O)NC5=O,Nc1ncnc2c1ncn2C3OC(CO)C(O)C3OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=O)NC5=O,"InChI=1/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(12(30)7(3-27)36-18)38-39(33,34)35-4-8-11(29)13(31)17(37-8)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)",C19H24N7O12P,,,,,,HNYPCGVMDCYEEX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.171,233-202-4,10072-05-6,Methyl 2-(dimethylamino)benzoate,methyl 2-(dimethylamino)benzoate,COC(=O)c1ccccc1N(C)C,COC(=O)c1ccccc1N(C)C,"InChI=1/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3",C10H13NO2,,,,,,ZCNSBHAIPOWHJE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.176,233-208-7,10075-50-0,5-bromoindole,5-bromo-1H-indole,Brc1ccc2[nH]ccc2c1,Brc1ccc2[nH]ccc2c1,"InChI=1/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H",C8H6BrN,,,,,,VXWVFZFZYXOBTA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.178,233-210-8,10075-85-1,"9,10-bis(phenylvinyl)anthracene","9,10-bis(1-phenylvinyl)anthracene",C=C(c1ccccc1)c2c3ccccc3c(C(=C)c4ccccc4)c5ccccc25,C=C(c1ccccc1)c2c3ccccc3c(C(=C)c4ccccc4)c5ccccc25,"InChI=1/C30H22/c1-21(23-13-5-3-6-14-23)29-25-17-9-11-19-27(25)30(28-20-12-10-18-26(28)29)22(2)24-15-7-4-8-16-24/h3-20H,1-2H2",C30H18,,,,,,PXZQWKMWRJBKOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.194,233-228-6,10095-20-2,"2,3-dihydroxypropyl acrylate","2,3-dihydroxypropyl acrylate",OCC(O)COC(=O)C=C,OCC(O)COC(=O)C=C,"InChI=1/C6H10O4/c1-2-6(9)10-4-5(8)3-7/h2,5,7-8H,1,3-4H2",C6H10O4,,,,,,OWPUOLBODXJOKH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.201,233-235-4,10099-57-7,p-isopropylphenethyl alcohol,2-(4-isopropylphenyl)ethanol,CC(C)c1ccc(CCO)cc1,CC(C)c1ccc(CCO)cc1,"InChI=1/C11H16O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9,12H,7-8H2,1-2H3",C11H16O,,,,,,MUGORNQRYUKUGN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.204,233-239-6,10099-60-2,Dilanthanum(3+) trisulphate,dilanthanum(3+) trisulphate,[La+3].[La+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[La+3].[La+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2La.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",H2O4S.2/3La,,,,,,VQEHIYWBGOJJDM-UHFFFAOYSA-H,,,,,,,,,,,
100.030.208,233-243-8,10099-71-5,Dipentyl maleate,dipentyl but-2-enedioate,CCCCCOC(=O)\\C=C/C(=O)OCCCCC,CCCCCOC(=O)\C=C/C(=O)OCCCCC,"InChI=1/C14H24O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3",C14H24O4,,,,,,NFCMRHDORQSGIS-KTKRTIGZSA-N,,,,,,,,,,,
100.030.210,233-245-9,10099-74-8,Lead dinitrate,-,[Pb+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O,[Pb+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O,InChI=1/2NO3.Pb.2H/c2*2-1(3)4;;;/q2*-1;+4;;/r2NO3.H2Pb/c2*2-1(3)4;/h;;1H2/q2*-1;+4,HNO3.1/2Pb,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14897,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.210,RLJMLMKIBZAXJO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.213,233-249-0,10101-21-0,Strontium D-gluconate (1:2),"strontium bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",[SrH2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[SrH2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/2C6H12O7.Sr.2H/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;;/q;;+2;;/p-2/r2C6H12O7.H2Sr/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);1H2/q;;+2/p-2",C6H12O7.1/2Sr,,,,,,BLAKRIPHNURJMH-SYAJEJNSSA-L,,,,,,,,,,,
100.030.033,233-049-3,10025-98-6,Dipotassium tetrachloropalladate,dipotassium tetrachloropalladate,[K+].[K+].Cl[Pd-](Cl)(Cl)Cl.Cl[Pd-](Cl)(Cl)Cl,[K+].[K+].Cl[Pd-](Cl)(Cl)Cl.Cl[Pd-](Cl)(Cl)Cl,"InChI=1/8ClH.2K.2Pd/h8*1H;;;;/q;;;;;;;;2*+1;2*+4/p-8/r2Cl4Pd.2K/c2*1-5(2,3)4;;/q;;2*+1",Cl4Pd.2K,,,,,,YXCXAYLUOFVUFU-UHFFFAOYSA-F,,,,,,,,,,,
100.030.035,233-051-4,10026-00-3,Disodium tetrachloroplatinate,disodium tetrachloroplatinate(2-),[Na+].[Na+].Cl[Pt-2](Cl)(Cl)Cl,[Na+].[Na+].Cl[Pt-2](Cl)(Cl)Cl,InChI=1/4ClH.2Na.Pt/h4*1H;;;/q;;;;2*+1;+4/p-4,Cl4Pt.2Na,,,,,,UXSGJRDAUMCHRP-UHFFFAOYSA-J,,,,,,,,,,,
100.030.040,233-057-7,10026-10-5,Uranium tetrachloride,uranium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[U+2].[U+2],[Cl-].[Cl-].[Cl-].[Cl-].[U+2].[U+2],InChI=1/4ClH.2U/h4*1H;;/q;;;;2*+2/p-4,Cl4U,,,,,,AYQSGSWJZFIBLR-UHFFFAOYSA-J,,,,,,,,,,,
100.015.882,217-469-4,1864-92-2,"N,N-diethyl-m-phenetidine","3-ethoxy-N,N-diethylaniline",CCOc1cccc(c1)N(CC)CC,CCOc1cccc(c1)N(CC)CC,"InChI=1/C12H19NO/c1-4-13(5-2)11-8-7-9-12(10-11)14-6-3/h7-10H,4-6H2,1-3H3",C12H19NO,,,,,,ODQSBWZDOSNPAH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.889,217-477-8,1866-31-5,Allyl cinnamate,allyl 3-phenylacrylate,C=CCOC(=O)\\C=C\\c1ccccc1,C=CCOC(=O)\C=C\c1ccccc1,"InChI=1/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2",C12H12O2,,,,,,KCMITHMNVLRGJU-CMDGGOBGSA-N,,,,,,,,,,,
100.021.140,223-253-0,3785-90-8,[(4-hydroxyphenyl)methylene]malononitrile,(4-hydroxybenzylidene)malononitrile,Oc1ccc(C=C(C#N)C#N)cc1,Oc1ccc(C=C(C#N)C#N)cc1,"InChI=1/C10H6N2O/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5,13H",C10H6N2O,,,,,,FNCOVSWSZZVFBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.144,223-257-2,3788-32-7,Isobutylcyclopentane,isobutylcyclopentane,CC(C)CC1CCCC1,CC(C)CC1CCCC1,"InChI=1/C9H18/c1-8(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3",C9H18,,,,,,DPUYDFJBHDYVQM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.148,223-261-4,3790-23-6,Tetraethyldiphosphine disulphide,"1,1,2,2-tetraethyldiphosphane 1,2-disulfide",CCP(=S)(CC)P(=S)(CC)CC,CCP(=S)(CC)P(=S)(CC)CC,"InChI=1/C8H20P2S2/c1-5-9(11,6-2)10(12,7-3)8-4/h5-8H2,1-4H3",C8H20P2S2,,,,,,LNMKVDPXBCIMOU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.150,223-264-0,3792-50-5,Sodium hydrogen L-aspartate,sodium hydrogen 2-aminosuccinate,[Na+].N[C@@H](CC(=O)[O-])C(=O)[O-],[Na+].N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-2",C4H7NO4.Na,,,,,,WTWSHHITWMVLBX-DKWTVANSSA-L,,,,,,,,,,,
100.021.153,223-267-7,3794-83-0,Tetrasodium (1-hydroxyethylidene)bisphosphonate,"tetrasodium (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[Na+].[Na+].[Na+].[Na+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.4Na/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4",C2H8O7P2.4Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16087,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.153,KWXLCDNSEHTOCB-UHFFFAOYSA-J,,,,,,,,,,,
100.021.156,223-270-3,7/06/3801,"9-fluoro-11ß,17-dihydroxy-6a-methylpregna-1,4-diene-3,20-dione 17-acetate","9-fluoro-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate",C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3",C24H31FO5,,,,,,YRFXGQHBPBMFHW-SBTZIJSASA-N,,,,,,,,,,,
100.021.161,223-276-6,3806-34-6,"O,O'-dioctadecylpentaerythritol bis(phosphite)","3,9-bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CCCCCCCCCCCCCCCCCCOP1OCC2(COP(OCCCCCCCCCCCCCCCCCC)OC2)CO1,CCCCCCCCCCCCCCCCCCOP1OCC2(COP(OCCCCCCCCCCCCCCCCCC)OC2)CO1,"InChI=1/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",C41H82O6P2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11711,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.161,PZRWFKGUFWPFID-UHFFFAOYSA-N,,,,,,,,,,,
100.021.162,223-277-1,3808-20-6,"N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-p-toluenesulphonamide","4-methyl-N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C3=Nc4ccccc4C(=O)O3,Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C3=Nc4ccccc4C(=O)O3,"InChI=1/C21H16N2O4S/c1-14-10-12-15(13-11-14)28(25,26)23-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(24)27-20/h2-13,23H,1H3",C21H16N2O4S,,,,,,LIVHLIWSCIZRJU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.169,223-285-5,3810-63-7,"N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[[6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene]methylene]]bisglycine S,S-dioxide","2,2'-{(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene)methyleneimino]}diacetic acid (non-preferred name)",CC(C)c1cc(c(C)c(CNCC(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(CNCC(=O)O)c4C,CC(C)c1cc(c(C)c(CNCC(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(CNCC(=O)O)c4C,"InChI=1/C33H40N2O9S/c1-17(2)21-11-26(19(5)23(31(21)40)13-34-15-29(36)37)33(25-9-7-8-10-28(25)45(42,43)44-33)27-12-22(18(3)4)32(41)24(20(27)6)14-35-16-30(38)39/h7-12,17-18,34-35,40-41H,13-16H2,1-6H3,(H,36,37)(H,38,39)",C33H40N2O9S,,,,,,SHYNCDVGSJTRCP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.170,223-286-0,3810-74-0,Streptomycin sulphate,"N,N'''-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine sulfate (salt)",CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O.OS(=O)(=O)O,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O.OS(=O)(=O)O,"InChI=1/C21H39N7O12.H2O4S/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-5(2,3)4/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);(H2,1,2,3,4)",C21H39N7O12.3/2H2O4S,,,,,,CFCMMYICHMLDCC-RMIBZTJPSA-N,,,,,,,,,,,
100.021.171,223-287-6,3810-80-8,Diphenoxylate hydrochloride,"ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride",Cl.CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4,Cl.CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4,"InChI=1/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H",C30H32N2O2.ClH,,,,,,SHTAFWKOISOCBI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.978,219-775-3,2528-61-2,Heptanoyl chloride,heptanoyl chloride,CCCCCCC(=O)Cl,CCCCCCC(=O)Cl,"InChI=1/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3",C7H13ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13180,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.978,UCVODTZQZHMTPN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.983,219-781-6,2530-31-6,Hexadecylsuccinic acid,2-hexadecylsuccinic acid,CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)O,CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)O,"InChI=1/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h18H,2-17H2,1H3,(H,21,22)(H,23,24)",C20H38O4,,,,,,GCVQVCAAUXFNGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.988,219-786-3,2530-86-1,"N,N-dimethyl-3-(trimethoxysilyl)propylamine","N,N-dimethyl-3-(trimethoxysilyl)propan-1-amine",CO[Si](CCCN(C)C)(OC)OC,CO[Si](CCCN(C)C)(OC)OC,"InChI=1/C8H21NO3Si/c1-9(2)7-6-8-13(10-3,11-4)12-5/h6-8H2,1-5H3",C8H21NO3Si,,,,,,QIOYHIUHPGORLS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.989,219-787-9,2530-87-2,3-chloropropyltrimethoxysilane,(3-chloropropyl)(trimethoxy)silane,CO[Si](CCCCl)(OC)OC,CO[Si](CCCCl)(OC)OC,"InChI=1/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3",C6H15ClO3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16008,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.989,OXYZDRAJMHGSMW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.990,219-788-4,6/04/2531,Piperylone,"4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one",CCC1=C(NN(C2CCN(C)CC2)C1=O)c3ccccc3,CCC1=C(NN(C2CCN(C)CC2)C1=O)c3ccccc3,"InChI=1/C17H23N3O/c1-3-15-16(13-7-5-4-6-8-13)18-20(17(15)21)14-9-11-19(2)12-10-14/h4-8,14,18H,3,9-12H2,1-2H3",C17H23N3O,,,,,,LBFGQUCAQWAFNN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.999,219-798-9,2534-77-2,Exo-2-bromonorbornane,2-bromobicyclo[2.2.1]heptane,Br[C@H]1C[C@@H]2CC[C@H]1C2,Br[C@H]1C[C@@H]2CC[C@H]1C2,"InChI=1/C7H11Br/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2",C7H11Br,,,,,,QXYOAWHKJRWNID-VQVTYTSYSA-N,,,,,,,,,,,
100.019.508,221-459-5,3103-38-6,N-(acetoacetyl)glycine,N-acetoacetylglycine,CC(=O)CC(=O)NCC(=O)O,CC(=O)CC(=O)NCC(=O)O,"InChI=1/C6H9NO4/c1-4(8)2-5(9)7-3-6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)",C6H9NO4,,,,,,YFMZKFTUZNTQHV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.511,221-462-1,3105-95-1,(S)-piperidine-2-carboxylic acid,piperidine-2-carboxylic acid,OC(=O)[C@@H]1CCCCN1,OC(=O)[C@@H]1CCCCN1,"InChI=1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)",C6H11NO2,,,,,,HXEACLLIILLPRG-YFKPBYRVSA-N,,,,,,,,,,,
100.019.512,221-463-7,3105-97-3,Hycanthone,1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one,CCN(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12,CCN(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12,"InChI=1/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3",C20H24N2O2S,,,,,,MFZWMTSUNYWVBU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.515,221-466-3,3107-19-5,"1,3-dichloro-2-fluoro-5-nitrobenzene","1,3-dichloro-2-fluoro-5-nitrobenzene",[O-][N+](=O)c1cc(Cl)c(F)c(Cl)c1,[O-][N+](=O)c1cc(Cl)c(F)c(Cl)c1,InChI=1/C6H2Cl2FNO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,C6H2Cl2FNO2,,,,,,VMAATSFMXSMKPG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.521,221-473-1,3111-70-4,2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine monomethanesulphonate,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine methanesulfonate,CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.CS(=O)(=O)O,CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.CS(=O)(=O)O,"InChI=1/C20H24ClN3S.CH4O3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;1H3,(H,2,3,4)",C20H24ClN3S.CH4O3S,,,,,,WLFCZUKGFJNFQY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.523,221-475-2,3112-67-2,Trichloroethoxytitanium,titanium(4+) trichloride ethanolate,CCO[Ti](Cl)(Cl)Cl,CCO[Ti](Cl)(Cl)Cl,"InChI=1/C2H5O.3ClH.Ti/c1-2-3;;;;/h2H2,1H3;3*1H;/q-1;;;;+4/p-3/rC2H5Cl3OTi/c1-2-6-7(3,4)5/h2H2,1H3",C2H5Cl3OTi,,,,,,RMTCVMQBBYEAPC-UHFFFAOYSA-K,,,,,,,,,,,
100.019.525,221-477-3,3112-88-7,[(phenylmethyl)sulphonyl]benzene,(benzylsulfonyl)benzene,O=S(=O)(Cc1ccccc1)c2ccccc2,O=S(=O)(Cc1ccccc1)c2ccccc2,"InChI=1/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2",C13H12O2S,,,,,,FABCMLOTUSCWOR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.527,218-179-0,2065-67-0,Tetraphenylphosphonium iodide,tetraphenylphosphonium iodide,[I-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[I-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20P.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",C24H20P.I,,,,,,AEFPPQGZJFTXDR-UHFFFAOYSA-M,,,,,,,,,,,
100.016.530,218-182-7,2065-76-1,"2,6-dibromo-3,3,5,5-tetramethylcyclohexan-1-one","2,6-dibromo-3,3,5,5-tetramethylcyclohexanone",CC1(C)CC(C)(C)C(Br)C(=O)C1Br,CC1(C)CC(C)(C)C(Br)C(=O)C1Br,"InChI=1/C10H16Br2O/c1-9(2)5-10(3,4)8(12)6(13)7(9)11/h7-8H,5H2,1-4H3",C10H16Br2O,,,,,,IZQKDIHFMIWQCL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.534,218-186-9,2067-84-7,"1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione","1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione",O=C1Nc2cccnc2NC1=O,O=C1Nc2cccnc2NC1=O,"InChI=1/C7H5N3O2/c11-6-7(12)10-5-4(9-6)2-1-3-8-5/h1-3H,(H,9,11)(H,8,10,12)",C7H5N3O2,,,,,,ZTCJWOFMAWQWRD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.873,227-359-8,5804-85-3,(cyano-C)diethylaluminium,(cyano-kappaC)(diethyl)aluminum,CC[Al](CC)C#N,CC[Al](CC)C#N,"InChI=1/2C2H5.CN.Al/c3*1-2;/h2*1H2,2H3;;/rC5H10AlN/c1-3-6(4-2)5-7/h3-4H2,1-2H3",C5H10AlN,,,,,,KWMUAEYVIFJZEB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.501,229-151-2,3/09/6420,"Trisodium 5-amino-4-hydroxy-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate","trisodium 5-amino-4-hydroxy-3-({4'-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1C)c4ccc(N=Nc3c(cc2cc(cc(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c4)c(O)c6ccccc56,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1C)c4ccc(N=Nc3c(cc2cc(cc(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c4)c(O)c6ccccc56,"InChI=1/C34H27N5O11S3.3Na/c1-17-11-19(7-9-26(17)36-38-28-16-29(52(45,46)47)23-5-3-4-6-24(23)33(28)40)20-8-10-27(18(2)12-20)37-39-32-30(53(48,49)50)14-21-13-22(51(42,43)44)15-25(35)31(21)34(32)41;;;/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",C34H27N5O11S3.3Na,,,,,,YLDQHFZDOYJEKB-UHFFFAOYSA-K,,,,,,,,,,,
100.026.505,229-155-4,6420-30-0,"Disodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]dibenzoate",disodium 3-({4-[({4-[(3-carboxylatophenyl)diazenyl]-2-methoxyphenyl}carbamoyl)amino]-3-methoxyphenyl}diazenyl)benzoate,[Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(N=Nc1cc(ccc1)C([O-])=O)cc2OC)N=Nc4cc(ccc4)C([O-])=O,[Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(N=Nc1cc(ccc1)C([O-])=O)cc2OC)N=Nc4cc(ccc4)C([O-])=O,"InChI=1/C29H24N6O7.2Na/c1-41-25-15-21(34-32-19-7-3-5-17(13-19)27(36)37)9-11-23(25)30-29(40)31-24-12-10-22(16-26(24)42-2)35-33-20-8-4-6-18(14-20)28(38)39;;/h3-16H,1-2H3,(H,36,37)(H,38,39)(H2,30,31,40);;/q;2*+1/p-2",C29H24N6O7.2Na,,,,,,RKXJNLBMNQMUQO-UHFFFAOYSA-L,,,,,,,,,,,
100.026.510,229-161-7,6420-40-2,Trisodium 3-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate,trisodium 3-{[1-hydroxy-6-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonato-2-naphthyl]carbamoyl}amino)-3-sulfonato-2-naphthyl]diazenyl}benzoate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5cc(ccc5)C([O-])=O)c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5cc(ccc5)C([O-])=O)c6O)S([O-])(=O)=O,"InChI=1/C34H24N6O11S2.3Na/c41-31-25-11-9-22(14-19(25)16-27(52(46,47)48)29(31)39-37-21-6-2-1-3-7-21)35-34(45)36-23-10-12-26-20(15-23)17-28(53(49,50)51)30(32(26)42)40-38-24-8-4-5-18(13-24)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C34H24N6O11S2.3Na,,,,,,PEOPCYPUNAFTEZ-UHFFFAOYSA-K,,,,,,,,,,,
100.026.518,229-170-6,6421-30-3,Ethyl p-[(p-methoxybenzylidene)amino]cinnamate,ethyl 3-{4-[(4-methoxybenzylidene)amino]phenyl}acrylate,COc2ccc(C=Nc1ccc(/C=C/C(=O)OCC)cc1)cc2,COc2ccc(C=Nc1ccc(/C=C/C(=O)OCC)cc1)cc2,"InChI=1/C19H19NO3/c1-3-23-19(21)13-8-15-4-9-17(10-5-15)20-14-16-6-11-18(22-2)12-7-16/h4-14H,3H2,1-2H3",C19H19NO3,,,,,,FMNNRRPDXZWUAE-KGCZTCBMSA-N,,,,,,,,,,,
100.026.525,229-177-4,6422-99-7,"Sebacic acid, compound with hexane-1,6-diamine (1:1)","decanedioic acid - hexane-1,6-diamine (1:1)",NCCCCCCN.OC(=O)CCCCCCCCC(=O)O,NCCCCCCN.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C6H16N2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;7-5-3-1-2-4-6-8/h1-8H2,(H,11,12)(H,13,14);1-8H2",C10H18O4.C6H16N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15894,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.525,YWJUZWOHLHBWQY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.527,229-180-0,6423-43-4,"Propane-1,2-diyl dinitrate","propane-1,2-diyl dinitrate",CC(CO[N+](=O)[O-])O[N+](=O)[O-],CC(CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3",C3H6N2O6,,,,,,PSXCGTLGGVDWFU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.012,225-313-1,4771-47-5,3-chloro-2-nitrobenzoic acid,3-chloro-2-nitrobenzoic acid,OC(=O)c1cccc(Cl)c1[N+](=O)[O-],OC(=O)c1cccc(Cl)c1[N+](=O)[O-],"InChI=1/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)",C7H4ClNO4,,,,,,VCHSXYHBMFKRBK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.014,225-315-2,4773-33-5,Ethyl chlorophenylacetate,ethyl chloro(phenyl)acetate,CCOC(=O)C(Cl)c1ccccc1,CCOC(=O)C(Cl)c1ccccc1,"InChI=1/C10H11ClO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",C10H11ClO2,,,,,,XXRLJXZVZZXDPP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.015,225-316-8,4774-14-5,"2,6-dichloropyrazine","2,6-dichloropyrazine",Clc1cncc(Cl)n1,Clc1cncc(Cl)n1,InChI=1/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2H,C4H2Cl2N2,,,,,,LSEAAPGIZCDEEH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.019,225-321-5,4775-98-8,6-methylpiperidin-2-one,6-methylpiperidin-2-one,CC1CCCC(=O)N1,CC1CCCC(=O)N1,"InChI=1/C6H11NO/c1-5-3-2-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)",C6H11NO,,,,,,XPMMAKUHNMSONL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.022,225-324-1,4780-79-4,Naphthalene-1-methanol,1-naphthylmethanol,OCc1cccc2ccccc12,OCc1cccc2ccccc12,"InChI=1/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2",C11H10O,,,,,,PBLNHHSDYFYZNC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.027,225-329-9,4783-79-3,"2-(2,4-dichlorophenoxy)pyridine","2-(2,4-dichlorophenoxy)pyridine",Clc1ccc(Oc2ccccn2)c(Cl)c1,Clc1ccc(Oc2ccccn2)c(Cl)c1,InChI=1/C11H7Cl2NO/c12-8-4-5-10(9(13)7-8)15-11-3-1-2-6-14-11/h1-7H,C11H7Cl2NO,,,,,,HGUVEDKUWZLVAI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.033,225-336-7,4786-24-7,3-methyl-2-butenenitrile,3-methylbut-2-enenitrile,CC(=CC#N)C,CC(=CC#N)C,"InChI=1/C5H7N/c1-5(2)3-4-6/h3H,1-2H3",C5H7N,,,,,,AUGKLUNRHYPDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.045,233-062-4,10026-18-3,Cobalt trifluoride,-,[F-].[F-].[F-].[Co+2],[F-].[F-].[F-].[Co+2],InChI=1/Co.3FH/h;3*1H/q+2;;;/p-3,CoF3,,,,,,RWUVTMPJZNFEPS-UHFFFAOYSA-K,,,,,,,,,,,
100.030.046,233-064-5,10026-23-0,Cobalt(2+) selenite,cobalt(2+) selenite,[Co+2].[O-][Se](=O)[O-],[Co+2].[O-][Se](=O)[O-],"InChI=1/Co.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",Co.H2O3Se,,,,,,HNZYCXDYRNOVLJ-UHFFFAOYSA-L,,,,,,,,,,,
100.030.047,233-065-0,10026-98-9,2-(dimethylamino)-2-methylpropan-1-ol hydrochloride,2-(dimethylamino)-2-methylpropan-1-ol hydrochloride,Cl.CN(C)C(C)(C)CO,Cl.CN(C)C(C)(C)CO,"InChI=1/C6H15NO.ClH/c1-6(2,5-8)7(3)4;/h8H,5H2,1-4H3;1H",C6H15NO.ClH,,,,,,QVNXEWQCNPSJLG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.057,233-076-0,10029-24-0,"Dimethyl N,N'-(methylenedi-4,1-phenylene)bis[2-methyl-ß-alaninate]","dimethyl 2,2'-[methylenebis(4,1-phenyleneimino)]bis(2-methylpropanoate) (non-preferred name)",COC(=O)C(C)(C)Nc1ccc(Cc2ccc(NC(C)(C)C(=O)OC)cc2)cc1,COC(=O)C(C)(C)Nc1ccc(Cc2ccc(NC(C)(C)C(=O)OC)cc2)cc1,"InChI=1/C23H30N2O4/c1-22(2,20(26)28-5)24-18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)25-23(3,4)21(27)29-6/h7-14,24-25H,15H2,1-6H3",C23H30N2O4,,,,,,XJQDOEYAAOYHLG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.058,233-077-6,10029-31-9,"N-isopropyl-4,4'-methylenedianiline",4-(4-aminobenzyl)-N-isopropylaniline,CC(C)Nc1ccc(Cc2ccc(N)cc2)cc1,CC(C)Nc1ccc(Cc2ccc(N)cc2)cc1,"InChI=1/C16H20N2/c1-12(2)18-16-9-5-14(6-10-16)11-13-3-7-15(17)8-4-13/h3-10,12,18H,11,17H2,1-2H3",C16H20N2,,,,,,OYZBHMQKSAYWAI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.063,233-082-3,10030-90-7,Iron succinate,iron(2+) succinate,[Fe+2].[O-]C(=O)CCC(=O)[O-],[Fe+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Fe,,,,,,MDXRFOWKIZPNTA-UHFFFAOYSA-L,,,,,,,,,,,
100.030.067,233-087-0,10031-24-0,Tin dibromide,-,[Br-].[Br-].[Sn+4],[Br-].[Br-].[Sn+4],InChI=1/2BrH.Sn/h2*1H;/q;;+4/p-2,Br2Sn,,,,,,MJNSXKSOBBOAFV-UHFFFAOYSA-L,,,,,,,,,,,
100.030.070,233-090-7,10031-27-3,Tellurium tetrabromide,tellurium tetrabromide,[Br-].[Br-].[Br-].[Br-].[TeH2+2].[TeH2+2],[Br-].[Br-].[Br-].[Br-].[TeH2+2].[TeH2+2],InChI=1/4BrH.2H2Te/h4*1H;2*1H2/q;;;;2*+2/p-4,Br4Te,,,,,,JHSUVCJHGASBFQ-UHFFFAOYSA-J,,,,,,,,,,,
100.030.078,233-099-6,10031-96-6,4-allyl-2-methoxyphenyl formate,4-allyl-2-methoxyphenyl formate,COc1cc(CC=C)ccc1OC=O,COc1cc(CC=C)ccc1OC=O,"InChI=1/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3,5-8H,1,4H2,2H3",C11H12O3,,,,,,JUTKIGGQRLHTJN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.079,233-101-5,10032-00-5,"(E)-3,7-dimethyl-2,6-octadienyl acetoacetate","3,7-dimethylocta-2,6-dien-1-yl 3-oxobutanoate",CC(=CCC\\C(=C\\COC(=O)CC(=O)C)\\C)C,CC(=CCC\C(=C\COC(=O)CC(=O)C)\C)C,"InChI=1/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3",C14H22O3,,,,,,RYILZWKGLGVPOC-XYOKQWHBSA-N,,,,,,,,,,,
100.030.085,233-107-8,10034-77-2,Dicalcium silicate,dicalcium silicate,[Ca+2].[Ca+2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Ca+2].[Ca+2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Ca.2O3Si/c;;2*1-4(2)3/q2*+2;2*-2,Ca.1/2H4O4Si,,,,,,GGDIOEDJZLBCGA-UHFFFAOYSA-N,,,,,,,,,,,
100.027.113,229-824-0,6764-43-8,2-methylbenzoxazole-5-sulphonic acid,"2-methyl-1,3-benzoxazole-5-sulfonic acid",Cc1oc2ccc(cc2n1)S(=O)(=O)O,Cc1oc2ccc(cc2n1)S(=O)(=O)O,"InChI=1/C8H7NO4S/c1-5-9-7-4-6(14(10,11)12)2-3-8(7)13-5/h2-4H,1H3,(H,10,11,12)",C8H7NO4S,,,,,,GXGKTKGTVRUVMR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.114,229-825-6,6765-39-5,Heptadec-1-ene,heptadec-1-ene,CCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCC=C,"InChI=1/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3",C17H34,,,,,,ADOBXTDBFNCOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.119,229-830-3,6771-82-0,Tetrasodium 3-[[4-[[[[4-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo]-3-sulphonatophenyl]amino]carbonyl]amino]-2-sulphonatophenyl]azo]-4-hydroxy-7-(phenylamino)naphthalene-2-sulphonate,tetrasodium 3-({4-[({4-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]-3-sulfonatophenyl}carbamoyl)amino]-2-sulfonatophenyl}diazenyl)-7-anilino-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c7c(c1)ccc(N)c7N=Nc2ccc(cc2S([O-])(=O)=O)NC(=O)Nc6ccc(N=Nc4c(cc3cc(ccc3c4O)Nc5ccccc5)S([O-])(=O)=O)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c7c(c1)ccc(N)c7N=Nc2ccc(cc2S([O-])(=O)=O)NC(=O)Nc6ccc(N=Nc4c(cc3cc(ccc3c4O)Nc5ccccc5)S([O-])(=O)=O)c(c6)S([O-])(=O)=O,"InChI=1/C39H30N8O15S4.4Na/c40-28-11-6-20-15-26(63(51,52)53)19-31(48)35(20)36(28)46-44-29-12-8-24(17-32(29)64(54,55)56)42-39(50)43-25-9-13-30(33(18-25)65(57,58)59)45-47-37-34(66(60,61)62)16-21-14-23(7-10-27(21)38(37)49)41-22-4-2-1-3-5-22;;;;/h1-19,41,48-49H,40H2,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C39H30N8O15S4.4Na,,,,,,JRJCNERLGKHTBE-UHFFFAOYSA-J,,,,,,,,,,,
100.022.750,225-025-6,4617-27-0,"1,1,3,3-tetrachloro-1,3-dimethyldisiloxane","1,1,3,3-tetrachloro-1,3-dimethyldisiloxane",C[Si](Cl)(Cl)O[Si](C)(Cl)Cl,C[Si](Cl)(Cl)O[Si](C)(Cl)Cl,"InChI=1/C2H6Cl4OSi2/c1-8(3,4)7-9(2,5)6/h1-2H3",C2H6Cl4OSi2,,,,,,WAUFEDNTDWQARU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.751,225-026-1,4617-33-8,15-hydroxypentadecanoic acid,15-hydroxypentadecanoic acid,OCCCCCCCCCCCCCCC(=O)O,OCCCCCCCCCCCCCCC(=O)O,"InChI=1/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)",C15H30O3,,,,,,BZUNJUAMQZRJIP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.176,223-292-3,3811-49-2,"2-methoxy-4H-1,3,2-benzodioxaphosphorin 2-sulphide","2-methoxy-4H-1,3,2-benzodioxaphosphinine 2-sulfide",COP1(=S)OCc2ccccc2O1,COP1(=S)OCc2ccccc2O1,"InChI=1/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3",C8H9O3PS,,,,,,OUNSASXJZHBGAI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.007,219-807-6,2537-62-4,N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide,N-{2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,"InChI=1/C19H19BrN6O3/c1-4-25(5-2)14-6-7-17(18(10-14)22-12(3)27)23-24-19-13(11-21)8-15(26(28)29)9-16(19)20/h6-10H,4-5H2,1-3H3,(H,22,27)",C19H19BrN6O3,,,,,,KTXMBTRTVMMWQS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.012,219-812-3,2539-53-9,4-ethoxy-3-hydroxybenzaldehyde,4-ethoxy-3-hydroxybenzaldehyde,CCOc1ccc(C=O)cc1O,CCOc1ccc(C=O)cc1O,"InChI=1/C9H10O3/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-6,11H,2H2,1H3",C9H10O3,,,,,,BCLVKHGKEGFPJV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.015,219-816-5,2540-35-4,"3,3-bis(p-chlorophenyl)propionic acid","3,3-bis(4-chlorophenyl)propanoic acid",OC(=O)CC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,OC(=O)CC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C15H12Cl2O2/c16-12-5-1-10(2-6-12)14(9-15(18)19)11-3-7-13(17)8-4-11/h1-8,14H,9H2,(H,18,19)",C15H12Cl2O2,,,,,,USABTSSPDBXQKB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.020,219-821-2,8/09/2542,a-cyclopropyl-4-fluoro-a-methylbenzyl alcohol,1-cyclopropyl-1-(4-fluorophenyl)ethanol,CC(O)(C1CC1)c2ccc(F)cc2,CC(O)(C1CC1)c2ccc(F)cc2,"InChI=1/C11H13FO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3",C11H13FO,,,,,,KTXSJDVWEXYQPK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.022,219-823-3,2544-13-0,"(S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropiononitrile monohydrochloride","2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride",Cl.COc1ccc(C[C@](C)(N)C#N)cc1OC,Cl.COc1ccc(C[C@](C)(N)C#N)cc1OC,"InChI=1/C12H16N2O2.ClH/c1-12(14,8-13)7-9-4-5-10(15-2)11(6-9)16-3;/h4-6H,7,14H2,1-3H3;1H",C12H16N2O2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11931,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.022,CAKVDZOOCWGIPX-YDALLXLXSA-N,,,,,,,,,,,
100.018.023,219-824-9,2545-22-4,"Cholest-5-en-3ß-yl (Z,Z,Z)-octadeca-9,12,15-trien-1-oate","cholest-5-en-3-yl octadeca-9,12,15-trienoate",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3",C45H74O2,,,,,,FYMCIBHUFSIWCE-WVXFKAQASA-N,,,,,,,,,,,
100.018.024,219-825-4,2545-26-8,6-iodopurine,6-iodo-9H-purine,Ic1ncnc2[nH]cnc12,Ic1ncnc2[nH]cnc12,"InChI=1/C5H3IN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)",C5H3IN4,,,,,,NIBFSSALYRLHPY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.026,219-828-0,2545-59-7,"2-butoxyethyl 2,4,5-trichlorophenoxyacetate","2-butoxyethyl (2,4,5-trichlorophenoxy)acetate",CCCCOCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCCOCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C14H17Cl3O4/c1-2-3-4-19-5-6-20-14(18)9-21-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3",C14H17Cl3O4,,,,,,GLDWASBMYWLQGG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.032,219-834-3,2549-51-1,Vinyl chloroacetate,vinyl chloroacetate,ClCC(=O)OC=C,ClCC(=O)OC=C,"InChI=1/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2",C4H5ClO2,,,,,,XJELOQYISYPGDX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.034,219-836-4,2549-57-7,"4,6,6-trimethyloxepan-2-one","4,6,6-trimethyloxepan-2-one",CC1CC(=O)OCC(C)(C)C1,CC1CC(=O)OCC(C)(C)C1,"InChI=1/C9H16O2/c1-7-4-8(10)11-6-9(2,3)5-7/h7H,4-6H2,1-3H3",C9H16O2,,,,,,OSKVFHONCZMKCM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.043,219-846-9,2550-21-2,3-methylhexan-2-one,3-methylhexan-2-one,CCCC(C)C(=O)C,CCCC(C)C(=O)C,"InChI=1/C7H14O/c1-4-5-6(2)7(3)8/h6H,4-5H2,1-3H3",C7H14O,,,,,,GYWYASONLSQZBB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.047,219-851-6,2550-40-5,Dicyclohexyl disulphide,"1,1'-disulfanediyldicyclohexane",C1CCC(CC1)SSC2CCCCC2,C1CCC(CC1)SSC2CCCCC2,"InChI=1/C12H22S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h11-12H,1-10H2",C12H22S2,,,,,,ODHAQPXNQDBHSH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.048,219-852-1,2550-73-4,"Benzene-1,2:4,5-tetracarboxydiimide","pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone",O=C1NC(=O)c2cc3C(=O)NC(=O)c3cc12,O=C1NC(=O)c2cc3C(=O)NC(=O)c3cc12,"InChI=1/C10H4N2O4/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7/h1-2H,(H,11,13,15)(H,12,14,16)",C10H4N2O4,,,,,,UGQZLDXDWSPAOM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.051,219-855-8,2551-83-9,Allyltrimethoxysilane,allyl(trimethoxy)silane,CO[Si](CC=C)(OC)OC,CO[Si](CC=C)(OC)OC,"InChI=1/C6H14O3Si/c1-5-6-10(7-2,8-3)9-4/h5H,1,6H2,2-4H3",C6H14O3Si,,,,,,LFRDHGNFBLIJIY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.545,218-198-4,2076-36-0,Methyl 3-methyl-2-benzofurancarboxylate,methyl 3-methyl-1-benzofuran-2-carboxylate,COC(=O)c1oc2ccccc2c1C,COC(=O)c1oc2ccccc2c1C,"InChI=1/C11H10O3/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3",C11H10O3,,,,,,HVUOTQOUAMXGLR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.546,218-200-3,2077-13-6,2-chlorocumene,1-chloro-2-isopropylbenzene,CC(C)c1ccccc1Cl,CC(C)c1ccccc1Cl,"InChI=1/C9H11Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3",C9H11Cl,,,,,,RNEMUWDQJSRDMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.548,218-202-4,2077-46-5,"2,3,6-trichlorotoluene","1,2,4-trichloro-3-methylbenzene",Cc1c(Cl)ccc(Cl)c1Cl,Cc1c(Cl)ccc(Cl)c1Cl,"InChI=1/C7H5Cl3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3",C7H5Cl3,,,,,,UZYYBZNZSSNYSA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.551,218-206-6,2078-54-8,Disoprofol,"2,6-diisopropylphenol",CC(C)c1cccc(C(C)C)c1O,CC(C)c1cccc(C(C)C)c1O,"InChI=1/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3",C12H18O,,,,,,OLBCVFGFOZPWHH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.555,218-210-8,2081-44-9,Tetrahydro-4H-pyran-4-ol,tetrahydro-2H-pyran-4-ol,OC1CCOCC1,OC1CCOCC1,"InChI=1/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2",C5H10O2,,,,,,LMYJGUNNJIDROI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.556,218-211-3,2081-65-4,Butanilicaine dihydrogen phosphate,N~2~-butyl-N-(2-chloro-6-methylphenyl)glycinamide phosphate,Clc1cccc(C)c1NC(=O)CNCCCC.OP(O)(=O)O,Clc1cccc(C)c1NC(=O)CNCCCC.OP(O)(=O)O,"InChI=1/C13H19ClN2O.H3O4P/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;1-5(2,3)4/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);(H3,1,2,3,4)",C13H19ClN2O.H3O4P,,,,,,VXDXXKHEJKYCNE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.558,218-213-4,2082-76-0,Decanoic anhydride,decanoic anhydride,CCCCCCCCCC(=O)OC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OC(=O)CCCCCCCCC,"InChI=1/C20H38O3/c1-3-5-7-9-11-13-15-17-19(21)23-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",C20H38O3,,,,,,HTWWKYKIBSHDPC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.566,218-222-3,2083-91-2,Pentamethylsilylamine,"N,N,1,1,1-pentamethylsilanamine",CN(C)[Si](C)(C)C,CN(C)[Si](C)(C)C,"InChI=1/C5H15NSi/c1-6(2)7(3,4)5/h1-5H3",C5H15NSi,,,,,,KAHVZNKZQFSBFW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.568,218-224-4,2084-19-7,Pentane-2-thiol,pentane-2-thiol,CCCC(C)S,CCCC(C)S,"InChI=1/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",C5H12S,,,,,,QUSTYFNPKBDELJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.571,218-228-6,2086-26-2,O-(4-nitrobenzyl)hydroxylammonium hydrochloride,-,Cl.[NH3+]OCc1ccc(cc1)[N+](=O)[O-],Cl.[NH3+]OCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H9N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5H2,8H3;1H/q+1;",C7H8N2O3.ClH,,,,,,JGFILSLMSNFOAD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.574,218-231-2,2088-35-9,"1,1-dichlorocyclopropane","1,1-dichlorocyclopropane",ClC1(Cl)CC1,ClC1(Cl)CC1,InChI=1/C3H4Cl2/c4-3(5)1-2-3/h1-2H2,C3H4Cl2,,,,,,MZJYQXPULRLGCA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.577,218-234-9,2089-87-4,"Naphthalene-1,6-dicarboxylic acid","naphthalene-1,6-dicarboxylic acid",OC(=O)c1ccc2c(cccc2c1)C(=O)O,OC(=O)c1ccc2c(cccc2c1)C(=O)O,"InChI=1/C12H8O4/c13-11(14)8-4-5-9-7(6-8)2-1-3-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)",C12H8O4,,,,,,VAWFFNJAPKXVPH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.116,216-626-4,1630-08-6,"2,4,6-trinitrobenzene-1,3-diamine","2,4,6-trinitrobenzene-1,3-diamine",Nc1c(cc(c(N)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Nc1c(cc(c(N)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H5N5O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H,7-8H2",C6H5N5O6,,,,,,FZAZPMLWYUKRAE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.117,216-628-5,1630-77-9,"(Z)-1,2-difluoroethylene","1,2-difluoroethene",F\\C=C/F,F\C=C/F,InChI=1/C2H2F2/c3-1-2-4/h1-2H,C2H2F2,,,,,,WFLOTYSKFUPZQB-UPHRSURJSA-N,,,,,,,,,,,
100.015.119,216-630-6,1631-25-0,"1-cyclohexyl-1H-pyrrole-2,5-dione","1-cyclohexyl-1H-pyrrole-2,5-dione",O=C1C=CC(=O)N1C2CCCCC2,O=C1C=CC(=O)N1C2CCCCC2,"InChI=1/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2",C10H13NO2,,,,,,BQTPKSBXMONSJI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.122,216-633-2,1631-82-9,Chloromethylphenylsilane,(chloromethyl)(phenyl)silane,ClC[SiH2]c1ccccc1,ClC[SiH2]c1ccccc1,"InChI=1/C7H9ClSi/c8-6-9-7-4-2-1-3-5-7/h1-5H,6,9H2",C7H9ClSi,,,,,,ZRLMBGPPYKWWNG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.251,216-775-5,1664-98-8,(2H)formaldehyde,formaldehyde,C=O,C=O,InChI=1/CH2O/c1-2/h1H2,CD2O,,,,,,WSFSSNUMVMOOMR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.255,216-779-7,1665-79-8,"2,2-dihydro-2,2,2-trimethoxy-4,5-dimethyl-1,3,2-dioxaphosphole","2,2,2-trimethoxy-4,5-dimethyl-1,3,2lambda~5~-dioxaphosphole",COP1(OC)(OC)OC(=C(C)O1)C,COP1(OC)(OC)OC(=C(C)O1)C,"InChI=1/C7H15O5P/c1-6-7(2)12-13(8-3,9-4,10-5)11-6/h1-5H3",C7H15O5P,,,,,,FMHPXHSMBAZDOS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.258,216-782-3,1667-00-1,Benzylcyclopropane,(cyclopropylmethyl)benzene,C(C1CC1)c2ccccc2,C(C1CC1)c2ccccc2,"InChI=1/C10H12/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5,10H,6-8H2",C10H12,,,,,,GUGXBRGATQTAFP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.259,216-783-9,1667-01-2,"2',4',6'-trimethylacetophenone",1-mesitylethanone,CC(=O)c1c(C)cc(C)cc1C,CC(=O)c1c(C)cc(C)cc1C,"InChI=1/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3",C11H14O,,,,,,XWCIICLTKWRWCI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.035,225-338-8,4790-81-2,Benzofuran-7-ol,1-benzofuran-7-ol,Oc1cccc2ccoc12,Oc1cccc2ccoc12,"InChI=1/C8H6O2/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,9H",C8H6O2,,,,,,WXVRAHOQLYAQCR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.036,225-339-3,4791-69-9,"Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate","ethyl octahydrospiro[4,7-methanoindene-5,2'-oxirane]-3'-carboxylate",CCOC(=O)C1OC12CC3CC2C4CCCC34,CCOC(=O)C1OC12CC3CC2C4CCCC34,"InChI=1/C14H20O3/c1-2-16-13(15)12-14(17-12)7-8-6-11(14)10-5-3-4-9(8)10/h8-12H,2-7H2,1H3",C14H20O3,,,,,,GERTUMCUNLMNHD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.037,225-340-9,4791-70-2,"Octahydro-4,7-methano-1H-indene-5-carbaldehyde","octahydro-1H-4,7-methanoindene-5-carbaldehyde",O=CC1CC2CC1C3CCCC23,O=CC1CC2CC1C3CCCC23,"InChI=1/C11H16O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h6-11H,1-5H2",C11H16O,,,,,,GYCQGFPKRVWXQT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.039,225-343-5,4792-29-4,"1,3-dihydro-1-oxoisobenzofuran-5-carboxylic acid","1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid",OC(=O)c1ccc2C(=O)OCc2c1,OC(=O)c1ccc2C(=O)OCc2c1,"InChI=1/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)",C9H6O4,,,,,,QTWUWCFGWYYRRL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.040,225-344-0,4792-30-7,3-methylphthalic anhydride,"4-methyl-2-benzofuran-1,3-dione",Cc1cccc2C(=O)OC(=O)c12,Cc1cccc2C(=O)OC(=O)c12,"InChI=1/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3",C9H6O3,,,,,,TWWAWPHAOPTQEU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.045,225-349-8,1/04/4794,"Cyclohexa-2,5-diene-1-carboxylic acid","cyclohexa-2,5-diene-1-carboxylic acid",OC(=O)C1C=CCC=C1,OC(=O)C1C=CCC=C1,"InChI=1/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h2-6H,1H2,(H,8,9)",C7H8O2,,,,,,SITZRXZBFQSDJO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.051,225-356-6,4798-58-7,Hex-4-en-3-ol,hex-4-en-3-ol,CCC(O)C=CC,CCC(O)C=CC,"InChI=1/C6H12O/c1-3-5-6(7)4-2/h3,5-7H,4H2,1-2H3",C6H12O,,,,,,KWUXUOPPQQMMIL-UHFFFAOYSA-N,,,,,,,,,,,
100.023.052,225-357-1,4798-61-2,Oct-2-en-4-ol,oct-2-en-4-ol,CC=CC(O)CCCC,CC=CC(O)CCCC,"InChI=1/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3",C8H16O,,,,,,WGDUEFYADBRNKG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.053,225-358-7,4799-67-1,"3-(benzyloxy)propane-1,2-diol","3-(benzyloxy)propane-1,2-diol",OCC(O)COCc1ccccc1,OCC(O)COCc1ccccc1,"InChI=1/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2",C10H14O3,,,,,,LWCIBYRXSHRIAP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.448,231-293-5,7486-38-6,Disodium adipate,disodium adipate,[Na+].[Na+].[O-]C(=O)CCCCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.2Na/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H10O4.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12012,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.448,KYKFCSHPTAVNJD-UHFFFAOYSA-L,,,,,,,,,,,
100.028.458,231-303-8,7488-56-4,Selenium disulphide,thioxoselane sulfide,S=[Se]=S,S=[Se]=S,InChI=1/S2Se/c1-3-2,S2Se,,,,,,JNMWHTHYDQTDQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.462,231-308-5,7491-09-0,"Potassium 1,2-bis(2-ethylhexyloxycarbonyl)ethanesulphonate","potassium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate",[K+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],[K+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],"InChI=1/C20H38O7S.K/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1",C20H38O7S.K,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10211,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.462,CACRHRQTJDKAPJ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.463,231-309-0,3/10/7491,"Salicylic acid, compound with 2-(benzhydryloxy)-N,N-dimethylethylamine (1:1)","2-hydroxybenzoic acid - 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1)",CN(C)CCOC(c1ccccc1)c2ccccc2.OC(=O)c3ccccc3O,CN(C)CCOC(c1ccccc1)c2ccccc2.OC(=O)c3ccccc3O,"InChI=1/C17H21NO.C7H6O3/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;8-6-4-2-1-3-5(6)7(9)10/h3-12,17H,13-14H2,1-2H3;1-4,8H,(H,9,10)",C17H21NO.C7H6O3,,,,,,RTSZUSOHOIFYSY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.468,231-314-8,7492-30-0,Potassium ricinoleate,potassium 12-hydroxyoctadec-9-enoate,[K+].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[K+].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O3.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1",C18H34O3.K,,,,,,VAKMIIPDYZXBEV-DPMBMXLASA-M,,,,,,,,,,,
100.028.472,231-319-5,7492-41-3,"Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl formate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl formate",CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC=O,CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC=O,"InChI=1/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3",C11H18O2,,,,,,RDWUNORUTVEHJF-IQJOONFLSA-N,,,,,,,,,,,
100.022.758,225-034-5,4620-70-6,2-(tert-butylamino)ethanol,2-(tert-butylamino)ethanol,CC(C)(C)NCCO,CC(C)(C)NCCO,"InChI=1/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3",C6H15NO,,,,,,IUXYVKZUDNLISR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.760,225-036-6,4621-66-3,Thionicotinamide,pyridine-3-carbothioamide,NC(=S)c1cccnc1,NC(=S)c1cccnc1,"InChI=1/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",C6H6N2S,,,,,,XQWBMZWDJAZPPX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.762,225-038-7,4626-94-2,Ethylsulphamic acid,ethylsulfamic acid,CCNS(=O)(=O)O,CCNS(=O)(=O)O,"InChI=1/C2H7NO3S/c1-2-3-7(4,5)6/h3H,2H2,1H3,(H,4,5,6)",C2H7NO3S,,,,,,SIVVHUQWDOGLJN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.763,225-039-2,5/10/4627,"4,4,6-trimethyl-2-vinyl-1,3,2-dioxaborinane","4,4,6-trimethyl-2-vinyl-1,3,2-dioxaborinane",CC1CC(C)(C)OB(O1)C=C,CC1CC(C)(C)OB(O1)C=C,"InChI=1/C8H15BO2/c1-5-9-10-7(2)6-8(3,4)11-9/h5,7H,1,6H2,2-4H3",C8H15BO2,,,,,,LFOAVJXWGLVDDI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.772,225-049-7,4630-80-2,Methyl cyclopentanecarboxylate,methyl cyclopentanecarboxylate,COC(=O)C1CCCC1,COC(=O)C1CCCC1,"InChI=1/C7H12O2/c1-9-7(8)6-4-2-3-5-6/h6H,2-5H2,1H3",C7H12O2,,,,,,IIHIJFJSXPDTNO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.773,225-050-2,4630-82-4,Methyl cyclohexanecarboxylate,methyl cyclohexanecarboxylate,COC(=O)C1CCCCC1,COC(=O)C1CCCCC1,"InChI=1/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3",C8H14O2,,,,,,ZQWPRMPSCMSAJU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.695,229-364-0,6/07/6487,"N,N'-(5,6,7,12,17,18,19,24-octahydro-5,7,12,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-11,23-diyl)bis(benzamide)","N,N'-(5,7,12,17,19,24-hexaoxo-5,6,7,12,17,18,19,24-octahydrodinaphtho[2,3-i:2,3-i']benzo[1,2-a:4,5-a']dicarbazole-11,23-diyl)dibenzamide",O=C(Nc1cc2c3ccc4C(=O)c5c(ccc6c7cc(NC(=O)c8ccccc8)c9C(=O)c%10ccccc%10C(=O)c9c7[nH]c56)C(=O)c4c3[nH]c2c%11C(=O)c%12ccccc%12C(=O)c1%11)c%13ccccc%13,O=C(Nc1cc2c3ccc4C(=O)c5c(ccc6c7cc(NC(=O)c8ccccc8)c9C(=O)c%10ccccc%10C(=O)c9c7[nH]c56)C(=O)c4c3[nH]c2c%11C(=O)c%12ccccc%12C(=O)c1%11)c%13ccccc%13,"InChI=1/C56H28N4O8/c61-49-29-15-7-9-17-31(29)51(63)43-41(49)37(57-55(67)25-11-3-1-4-12-25)23-35-27-19-21-33-39(45(27)59-47(35)43)53(65)34-22-20-28-36-24-38(58-56(68)26-13-5-2-6-14-26)42-44(48(36)60-46(28)40(34)54(33)66)52(64)32-18-10-8-16-30(32)50(42)62/h1-24,59-60H,(H,57,67)(H,58,68)",C56H28N4O8,,,,,,BZRDLUQFYZMOQM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.697,229-366-1,6492-48-4,1-(3-amino-p-tolyl)-2-thiourea,1-(3-amino-4-methylphenyl)thiourea,Cc1ccc(NC(=S)N)cc1N,Cc1ccc(NC(=S)N)cc1N,"InChI=1/C8H11N3S/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,9H2,1H3,(H3,10,11,12)",C8H11N3S,,,,,,FTVOPDHBECLLNB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.698,229-367-7,6492-50-8,"4-[(4-nitrophenyl)azo]-2,5-xylidine","2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline",Cc1cc(N=Nc2ccc(cc2)N(=O)=O)c(C)cc1N,Cc1cc(N=Nc2ccc(cc2)N(=O)=O)c(C)cc1N,"InChI=1/C14H14N4O2/c1-9-8-14(10(2)7-13(9)15)17-16-11-3-5-12(6-4-11)18(19)20/h3-8H,15H2,1-2H3",C14H14N4O2,,,,,,JKPNCURSUJVONG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.700,229-369-8,6492-68-8,6-chloro-2-(6-chloro-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one,"6,6'-dichloro-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",Clc1ccc2C(=O)C(Sc2c1)=C4Sc3cc(Cl)ccc3C4=O,Clc1ccc2C(=O)C(Sc2c1)=C4Sc3cc(Cl)ccc3C4=O,InChI=1/C16H6Cl2O2S2/c17-7-1-3-9-11(5-7)21-15(13(9)19)16-14(20)10-4-2-8(18)6-12(10)22-16/h1-6H,C16H6Cl2O2S2,,,,,,KOAKDLSQLKOGDY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.701,229-370-3,6492-78-0,"N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl]-3-(trifluoromethyl)benzamide","N-[4-amino-3-(5,10-dioxo-5,10-dihydroanthra[2,3-d][1,3]thiazol-2-yl)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-3-(trifluoromethyl)benzamide",Nc1c(cc(NC(=O)c2cccc(c2)C(F)(F)F)c3C(=O)c4ccccc4C(=O)c13)c5nc6cc7C(=O)c8ccccc8C(=O)c7cc6s5,Nc1c(cc(NC(=O)c2cccc(c2)C(F)(F)F)c3C(=O)c4ccccc4C(=O)c13)c5nc6cc7C(=O)c8ccccc8C(=O)c7cc6s5,"InChI=1/C37H18F3N3O5S/c38-37(39,40)17-7-5-6-16(12-17)35(48)42-26-14-24(30(41)29-28(26)33(46)20-10-3-4-11-21(20)34(29)47)36-43-25-13-22-23(15-27(25)49-36)32(45)19-9-2-1-8-18(19)31(22)44/h1-15H,41H2,(H,42,48)",C37H18F3N3O5S,,,,,,FJYGWZSEFUBVML-UHFFFAOYSA-N,,,,,,,,,,,
100.026.704,229-374-5,6/05/6493,Pentoxifylline,"3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C,CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C,"InChI=1/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3",C13H18N4O3,,,,,,BYPFEZZEUUWMEJ-UHFFFAOYSA-N,Positive,SM861402,[M+H]+,HCD35,279.1453:181.072:99.0805,CASMI_2016,,,,,
100.026.707,229-377-1,6493-80-7,Methyl 1-methylcyclohex-3-ene-1-carboxylate,methyl 1-methylcyclohex-3-ene-1-carboxylate,COC(=O)C1(C)CCC=CC1,COC(=O)C1(C)CCC=CC1,"InChI=1/C9H14O2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-4H,5-7H2,1-2H3",C9H14O2,,,,,,GLCJULYDLTXOEN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.708,229-378-7,6498-34-6,Cyclohexylhydrazine,cyclohexylhydrazine,NNC1CCCCC1,NNC1CCCCC1,"InChI=1/C6H14N2/c7-8-6-4-2-1-3-5-6/h6,8H,1-5,7H2",C6H14N2,,,,,,LHQRDAIAWDPZGH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.545,224-798-7,4499-40-5,Choline theophyllinate,"2-hydroxy-N,N,N-trimethylethanaminium 1,3-dimethyl-2-oxo-2,3-dihydro-1H-purin-6-olate",CN1C(=C2N=CN=C2N(C)C1=O)[O-].C[N+](C)(C)CCO,CN1C(=C2N=CN=C2N(C)C1=O)[O-].C[N+](C)(C)CCO,"InChI=1/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1",C7H7N4O2.C5H14NO,,,,,,SOELXOBIIIBLRJ-UHFFFAOYSA-M,,,,,,,,,,,
100.022.550,224-803-2,4499-93-8,Lithium pentadecanoate,lithium pentadecanoate,[Li+].[Li+].[Li+].[Li+].[Li+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Li+].[Li+].[Li+].[Li+].[Li+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/5C10H20O2.5Li/c5*1-2-3-4-5-6-7-8-9-10(11)12;;;;;/h5*2-9H2,1H3,(H,11,12);;;;;/q;;;;;5*+1/p-5",C15H30O2.Li,,,,,,WNBUMVRFEKIMGD-UHFFFAOYSA-I,,,,,,,,,,,
100.022.551,224-804-8,4499-95-0,Calcium heptadecanoate,calcium diheptadecanoate,[Ca+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C17H34O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2",C17H34O2.1/2Ca,,,,,,UJPOLGDCBGQHSF-UHFFFAOYSA-L,,,,,,,,,,,
100.022.559,224-813-7,4501-31-9,cis-4-hydroxycinnamic acid,3-(4-hydroxyphenyl)acrylic acid,OC(=O)\\C=C/c1ccc(O)cc1,OC(=O)\C=C/c1ccc(O)cc1,"InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",C9H8O3,,,,,,NGSWKAQJJWESNS-UTCJRWHESA-N,,,,,,,,,,,
100.022.561,224-815-8,4501-58-0,"(R)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde","(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde",CC1=CC[C@H](CC=O)C1(C)C,CC1=CC[C@H](CC=O)C1(C)C,"InChI=1/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5954,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.561,OGCGGWYLHSJRFY-SECBINFHSA-N,,,,,,,,,,,
100.022.573,224-828-9,4510-76-3,"4-hydroxy-2-quinolone, monosodium salt",sodium 2-hydroxyquinolin-4-olate,[Na+].[O-]c1cc(O)nc2ccccc12,[Na+].[O-]c1cc(O)nc2ccccc12,"InChI=1/C9H7NO2.Na/c11-8-5-9(12)10-7-4-2-1-3-6(7)8;/h1-5H,(H2,10,11,12);/q;+1/p-1",C9H7NO2.Na,,,,,,MWXMDMIYCCSYNP-UHFFFAOYSA-M,,,,,,,,,,,
100.022.575,224-831-5,4511-39-1,tert-pentyl perbenzoate,"1,1-dimethylpropyl benzenecarboperoxoate",CCC(C)(C)OOC(=O)c1ccccc1,CCC(C)(C)OOC(=O)c1ccccc1,"InChI=1/C12H16O3/c1-4-12(2,3)15-14-11(13)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",C12H16O3,,,,,,RFSCGDQQLKVJEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.576,224-832-0,4511-42-6,"(3S-cis)-3,6-dimethyl-1,4-dioxane-2,5-dione","3,6-dimethyl-1,4-dioxane-2,5-dione",C[C@@H]1OC(=O)[C@H](C)OC1=O,C[C@@H]1OC(=O)[C@H](C)OC1=O,"InChI=1/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3",C6H8O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11212,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.576,JJTUDXZGHPGLLC-IMJSIDKUSA-N,,,,,,,,,,,
100.022.578,224-834-1,4513-44-4,p-methoxyphenyl acrylate,4-methoxyphenyl acrylate,COc1ccc(OC(=O)C=C)cc1,COc1ccc(OC(=O)C=C)cc1,"InChI=1/C10H10O3/c1-3-10(11)13-9-6-4-8(12-2)5-7-9/h3-7H,1H2,2H3",C10H10O3,,,,,,WFJNXICXEHGDLB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.579,224-835-7,4513-53-5,2-cyanoethyl methacrylate,2-cyanoethyl methacrylate,CC(=C)C(=O)OCCC#N,CC(=C)C(=O)OCCC#N,"InChI=1/C7H9NO2/c1-6(2)7(9)10-5-3-4-8/h1,3,5H2,2H3",C7H9NO2,,,,,,VKNASXZDGZNEDA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.583,224-839-9,4515-26-8,"2-chloro-3,5-dinitrobenzenesulphonic acid","2-chloro-3,5-dinitrobenzenesulfonic acid",OS(=O)(=O)c1cc(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-],OS(=O)(=O)c1cc(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3ClN2O7S/c7-6-4(9(12)13)1-3(8(10)11)2-5(6)17(14,15)16/h1-2H,(H,14,15,16)",C6H3ClN2O7S,,,,,,ODEUZCDONYETMV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.586,224-843-0,4518-94-9,Dichloromethylpropylsilane,(dichloromethyl)(propyl)silane,CCC[SiH2]C(Cl)Cl,CCC[SiH2]C(Cl)Cl,"InChI=1/C4H10Cl2Si/c1-2-3-7-4(5)6/h4H,2-3,7H2,1H3",C4H10Cl2Si,,,,,,AQOKYBQLEOWOHG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.587,224-844-6,4518-98-3,"1,1,2,2-tetrachloro-1,2-dimethyldisilane","1,1,2,2-tetrachloro-1,2-dimethyldisilane",C[Si](Cl)(Cl)[Si](C)(Cl)Cl,C[Si](Cl)(Cl)[Si](C)(Cl)Cl,"InChI=1/C2H6Cl4Si2/c1-7(3,4)8(2,5)6/h1-2H3",C2H6Cl4Si2,,,,,,JTBAMRDUGCDKMS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.893,217-482-5,1866-73-5,Trimethyl(2-propionylthioethyl)ammonium chloride,"N,N,N-trimethyl-2-(propionylsulfanyl)ethanaminium chloride",[Cl-].CCC(=O)SCC[N+](C)(C)C,[Cl-].CCC(=O)SCC[N+](C)(C)C,"InChI=1/C8H18NOS.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1",C8H18NOS.I,,,,,,DFQTUNIXEAAEKC-UHFFFAOYSA-M,,,,,,,,,,,
100.015.896,217-485-1,1868-86-6,"Ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-oate","ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoate",[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C9H2F16O2.H3N/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27;/h1H,(H,26,27);1H3",C9H2F16O2.H3N,,,,,,WCOWRYUAIXGAPL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.897,217-486-7,1869-77-8,Ethyl N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate,ethyl N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]glycinate,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H12F17NO4S/c1-3-32(5-6(33)36-4-2)37(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h3-5H2,1-2H3",C14H12F17NO4S,,,,,,LMUUXHHNCDERBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.900,217-489-3,1871-57-4,3-chloro-2-(chloromethyl)propene,3-chloro-2-(chloromethyl)prop-1-ene,ClCC(=C)CCl,ClCC(=C)CCl,InChI=1/C4H6Cl2/c1-4(2-5)3-6/h1-3H2,C4H6Cl2,,,,,,XJFZOSUFGSANIF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.262,216-787-0,1667-99-8,"Trisodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-3-sulphonatophenyl)methyl]-2-hydroxy-3-methylbenzoate","trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate",[Na+].[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)C(c2c(Cl)c(ccc2Cl)S([O-])(=O)=O)=C/3/C=C(/C)C(=O)\\C(=C\\3)C([O-])=O,[Na+].[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)C(c2c(Cl)c(ccc2Cl)S([O-])(=O)=O)=C/3/C=C(/C)C(=O)\C(=C\3)C([O-])=O,"InChI=1/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3",C23H16Cl2O9S.3Na,,,,,,FUIZKNBTOOKONL-UHFFFAOYSA-K,,,,,,,,,,,
100.015.266,216-791-2,1668-97-9,"(8a,9R)-10,11-dihydro-6'-methoxycinchonan-9-ol monohydrochloride","6'-methoxy-10,11-dihydrocinchonan-9-ol hydrochloride",Cl.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34,Cl.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34,"InChI=1/C20H26N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H",C20H26N2O2.ClH,,,,,,MULXTQKDWYBJMO-DSXUQNDKSA-N,,,,,,,,,,,
100.015.268,216-793-3,1669-44-9,Oct-3-en-2-one,oct-3-en-2-one,CC(=O)C=CCCCC,CC(=O)C=CCCCC,"InChI=1/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3",C8H14O,,,,,,ZCFOBLITZWHNNC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.274,216-801-5,1670-83-3,1H-indole-7-carboxylic acid,1H-indole-7-carboxylic acid,OC(=O)c1cccc2cc[nH]c12,OC(=O)c1cccc2cc[nH]c12,"InChI=1/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)",C9H7NO2,,,,,,IPDOBVFESNNYEE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.277,216-804-1,1671-77-8,4'-methylvalerophenone,1-(4-methylphenyl)pentan-1-one,CCCCC(=O)c1ccc(C)cc1,CCCCC(=O)c1ccc(C)cc1,"InChI=1/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3",C12H16O,,,,,,BCVCZJADTSTKNH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.278,216-805-7,1672-28-2,"1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid","3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propane-1-sulfonic acid",CN1C(=O)N(C)c2ncn(CCCS(=O)(=O)O)c2C1=O,CN1C(=O)N(C)c2ncn(CCCS(=O)(=O)O)c2C1=O,"InChI=1/C10H14N4O5S/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-3-5-20(17,18)19/h6H,3-5H2,1-2H3,(H,17,18,19)",C10H14N4O5S,,,,,,RSTSVFVCHWLPHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.279,216-806-2,1672-46-4,"(3ß,5ß,12ß)-3,12,14-trihydroxycard-20(22)-enolide","3,12,14-trihydroxycard-20(22)-enolide",C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5,"InChI=1/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3",C23H34O5,,,,,,SHIBSTMRCDJXLN-KCZCNTNESA-N,,,,,,,,,,,
100.016.159,217-774-2,1951-53-7,"1,4-dihydro-3,5-diiodo-1-methyl-4-oxopyridine-2,6-dicarboxylic acid","3,5-diiodo-1-methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid",CN1C(=C(I)C(=O)C(=C1C(=O)O)I)C(=O)O,CN1C(=C(I)C(=O)C(=C1C(=O)O)I)C(=O)O,"InChI=1/C8H5I2NO5/c1-11-4(7(13)14)2(9)6(12)3(10)5(11)8(15)16/h1H3,(H,13,14)(H,15,16)",C8H5I2NO5,,,,,,QXXSPCOLSLNNNE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.160,217-775-8,1951-97-9,"Piperazine, compound with phosphoric acid",piperazine phosphate,OP(=O)(O)O.C1CNCCN1,OP(=O)(O)O.C1CNCCN1,"InChI=1/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4)",C4H10N2.xH3O4P,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11956,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.160,NQQWFVUVBGSGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.161,217-776-3,1952-35-8,2-[(p-methoxybenzylidene)amino]ethanol,2-[(4-methoxybenzylidene)amino]ethanol,COc1ccc(C=NCCO)cc1,COc1ccc(C=NCCO)cc1,"InChI=1/C10H13NO2/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,8,12H,6-7H2,1H3",C10H13NO2,,,,,,HFMJBAMWHBCZIS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.168,217-784-7,1954-28-5,Etoglucid,"2,2'-(2,5,8,11-tetraoxadodecane-1,12-diyl)dioxirane",C(COCCOCC1CO1)OCCOCC2CO2,C(COCCOCC1CO1)OCCOCC2CO2,"InChI=1/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2",C12H22O6,,,,,,UMILHIMHKXVDGH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.172,217-788-9,1954-97-8,3-[(methylamino)carbonyl]-5-nitrobenzoic acid,3-(methylcarbamoyl)-5-nitrobenzoic acid,CNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,CNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,"InChI=1/C9H8N2O5/c1-10-8(12)5-2-6(9(13)14)4-7(3-5)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)",C9H8N2O5,,,,,,GVKLFFIPALKQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.174,217-791-5,1955-21-1,"2,6-diiodohydroquinone","2,6-diiodobenzene-1,4-diol",Oc1cc(I)c(O)c(I)c1,Oc1cc(I)c(O)c(I)c1,"InChI=1/C6H4I2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H",C6H4I2O2,,,,,,TXLWEPPRCDCHRB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.175,217-792-0,1955-33-5,"Octadeca-9,12,15-trienoic acid","octadeca-9,12,15-trienoic acid",OC(=O)CCCCCCCC=CCC=CCC=CCC,OC(=O)CCCCCCCC=CCC=CCC=CCC,"InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)",C18H30O2,,,,,,DTOSIQBPPRVQHS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.474,231-321-6,7492-55-9,"Calcium dihexa-2,4-dienoate","calcium dihexa-2,4-dienoate",[Ca+2].O=C([O-])C=CC=CC.[O-]C(=O)C=CC=CC,[Ca+2].O=C([O-])C=CC=CC.[O-]C(=O)C=CC=CC,"InChI=1/2C6H8O2.Ca/c2*1-2-3-4-5-6(7)8;/h2*2-5H,1H3,(H,7,8);/q;;+2/p-2",C6H8O2.1/2Ca,,,,,,MCFVRESNTICQSJ-UHFFFAOYSA-L,,,,,,,,,,,
100.028.482,231-330-5,7493-59-6,"Undecane-2,3-dione","undecane-2,3-dione",CCCCCCCCC(=O)C(=O)C,CCCCCCCCC(=O)C(=O)C,"InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-11(13)10(2)12/h3-9H2,1-2H3",C11H20O2,,,,,,RMMFUALOIIVORL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.484,231-332-6,7493-69-8,Allyl 2-ethylbutyrate,allyl 2-ethylbutanoate,CCC(CC)C(=O)OCC=C,CCC(CC)C(=O)OCC=C,"InChI=1/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3",C9H16O2,,,,,,NBKXNUWCFMZFMM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.492,231-341-5,7493-79-0,2-(phenylmethylene)heptyl formate,2-benzylideneheptyl formate,CCCCCC(COC=O)=Cc1ccccc1,CCCCCC(COC=O)=Cc1ccccc1,"InChI=1/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3",C15H20O2,,,,,,AWNFWGNFOOJDNO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.236,227-759-2,5968-84-3,Iron tris(dimethylarsinate),iron(3+) tris(dimethylarsinate),[Fe+3].C[As](C)([O-])=O.C[As](C)([O-])=O.C[As](C)([O-])=O,[Fe+3].C[As](C)([O-])=O.C[As](C)([O-])=O.C[As](C)([O-])=O,"InChI=1/3C2H7AsO2.Fe/c3*1-3(2,4)5;/h3*1-2H3,(H,4,5);/q;;;+3/p-3",C2H7AsO2.1/3Fe,,,,,,LZHICUSBBXKVSP-UHFFFAOYSA-K,,,,,,,,,,,
100.025.243,227-767-6,5972-85-0,Ammonium dihydrogen trivalerate,ammonium dihydrogen tripentanoate,[NH4+].CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-],[NH4+].CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-],"InChI=1/3C5H10O2.H3N/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);1H3/p-2",C5H10O2.1/3H3N,,,,,,BZYNJDMGNSUFOT-UHFFFAOYSA-L,,,,,,,,,,,
100.025.246,227-770-2,5973-71-7,"3,4-dimethylbenzaldehyde","3,4-dimethylbenzaldehyde",Cc1ccc(C=O)cc1C,Cc1ccc(C=O)cc1C,"InChI=1/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3",C9H10O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12006,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.246,POQJHLBMLVTHAU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.249,227-773-9,6/10/5977,Fencibutirol,2-(1-hydroxy-4-phenylcyclohexyl)butanoic acid,CCC(C(=O)O)C1(O)CCC(CC1)c2ccccc2,CCC(C(=O)O)C1(O)CCC(CC1)c2ccccc2,"InChI=1/C16H22O3/c1-2-14(15(17)18)16(19)10-8-13(9-11-16)12-6-4-3-5-7-12/h3-7,13-14,19H,2,8-11H2,1H3,(H,17,18)",C16H22O3,,,,,,HPLFQKUIHGZHPH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.876,229-563-2,6610-29-3,4-methylthiosemicarbazide,N-methylhydrazinecarbothioamide,CNC(=S)NN,CNC(=S)NN,"InChI=1/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)",C2H7N3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10986,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.876,PTVZQOAHCSKAAS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.882,229-570-0,6621-59-6,6-bromohexanonitrile,6-bromohexanenitrile,BrCCCCCC#N,BrCCCCCC#N,InChI=1/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2,C6H10BrN,,,,,,PHOSWLARCIBBJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.888,229-576-3,6622-91-9,4-carboxymethylpyridinium chloride,4-(carboxymethyl)pyridinium chloride,[Cl-].OC(=O)Cc1cc[nH+]cc1,[Cl-].OC(=O)Cc1cc[nH+]cc1,"InChI=1/C7H7NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h1-4H,5H2,(H,9,10);1H",C7H7NO2.ClH,,,,,,WKJRYVOTVRPAFN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.892,229-581-0,6624-57-3,Dibutyl glutarate,dibutyl glutarate,CCCCOC(=O)CCCC(=O)OCCCC,CCCCOC(=O)CCCC(=O)OCCCC,"InChI=1/C13H24O4/c1-3-5-10-16-12(14)8-7-9-13(15)17-11-6-4-2/h3-11H2,1-2H3",C13H24O4,,,,,,ISXDVFNOXYQPIA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.893,229-582-6,6624-58-4,1-methylhexyl hexanoate,1-methylhexyl hexanoate,CCCCCC(C)OC(=O)CCCCC,CCCCCC(C)OC(=O)CCCCC,"InChI=1/C13H26O2/c1-4-6-8-10-12(3)15-13(14)11-9-7-5-2/h12H,4-11H2,1-3H3",C13H26O2,,,,,,PPQPRIGCIRJGJH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.894,229-583-1,6624-71-1,Dodecyl isobutyrate,dodecyl 2-methylpropanoate,CCCCCCCCCCCCOC(=O)C(C)C,CCCCCCCCCCCCOC(=O)C(C)C,"InChI=1/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3",C16H32O2,,,,,,LDPLLPONRGVDGK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.897,229-586-8,6626-15-9,4-bromoresorcinol,"4-bromobenzene-1,3-diol",Oc1ccc(Br)c(O)c1,Oc1ccc(Br)c(O)c1,"InChI=1/C6H5BrO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H",C6H5BrO2,,,,,,MPCCNXGZCOXPMG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.899,229-588-9,6626-40-0,"7,10-dichloro-2-methoxybenzo[b]-1,5-naphthyridine","7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine",COc1ccc2nc3cc(Cl)ccc3c(Cl)c2n1,COc1ccc2nc3cc(Cl)ccc3c(Cl)c2n1,"InChI=1/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3",C13H8Cl2N2O,,,,,,KHPZCNJKNIHKPI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.904,229-594-1,6627-53-8,5-chloro-2-nitroanisole,4-chloro-2-methoxy-1-nitrobenzene,COc1cc(Cl)ccc1[N+](=O)[O-],COc1cc(Cl)ccc1[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3",C7H6ClNO3,,,,,,ABEUJUYEUCCZQF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.909,229-599-9,6627-78-7,1-bromo-4-methylnaphthalene,1-bromo-4-methylnaphthalene,Cc1ccc(Br)c2ccccc12,Cc1ccc(Br)c2ccccc12,"InChI=1/C11H9Br/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3",C11H9Br,,,,,,IDRVLLRKAAHOBP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.910,229-600-2,6627-88-9,"4-allyl-2,6-dimethoxyphenol","4-allyl-2,6-dimethoxyphenol",COc1cc(CC=C)cc(OC)c1O,COc1cc(CC=C)cc(OC)c1O,"InChI=1/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3",C11H14O3,,,,,,FWMPKHMKIJDEMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.712,229-382-9,6500-50-1,Octyl p-nitrobenzoate,octyl 4-nitrobenzoate,CCCCCCCCOC(=O)c1ccc(cc1)[N+](=O)[O-],CCCCCCCCOC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C15H21NO4/c1-2-3-4-5-6-7-12-20-15(17)13-8-10-14(11-9-13)16(18)19/h8-11H,2-7,12H2,1H3",C15H21NO4,,,,,,WHZYPQVZYYTVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.715,229-386-0,6504-57-0,4-[3-hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methylmorpholinium methyl sulphate,4-[3-hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methylmorpholin-4-ium methyl sulfate,COS(=O)(=O)[O-].C[N+]1(CCC(O)(c2ccccc2)c3cccs3)CCOCC1,COS(=O)(=O)[O-].C[N+]1(CCC(O)(c2ccccc2)c3cccs3)CCOCC1,"InChI=1/C18H24NO2S.CH4O4S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;1-5-6(2,3)4/h2-8,15,20H,9-14H2,1H3;1H3,(H,2,3,4)/q+1;/p-1",C18H24NO2S.CH3O4S,,,,,,JPOKDEDHVLJMIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.026.718,229-389-7,6505-29-9,"4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one]","4,4'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)",C/C6=N/N(c1ccccc1)C(=O)C6N=Nc2ccc(cc2OC)c5ccc(N=NC4C(\\C)=N/N(c3ccccc3)C4=O)c(OC)c5,C/C6=N/N(c1ccccc1)C(=O)C6N=Nc2ccc(cc2OC)c5ccc(N=NC4C(\C)=N/N(c3ccccc3)C4=O)c(OC)c5,"InChI=1/C34H30N8O4/c1-21-31(33(43)41(39-21)25-11-7-5-8-12-25)37-35-27-17-15-23(19-29(27)45-3)24-16-18-28(30(20-24)46-4)36-38-32-22(2)40-42(34(32)44)26-13-9-6-10-14-26/h5-20,31-32H,1-4H3",C34H30N8O4,,,,,,ROBHRZYBQRKAQY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.720,229-391-8,6505-35-7,"4-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulphonic acid","4-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid",Nc1ccc(cc1)C(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc(cc1)C(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H14N2O8S2/c18-11-3-1-9(2-4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)",C17H14N2O8S2,,,,,,BDHMHVFXQQVGII-UHFFFAOYSA-N,,,,,,,,,,,
100.026.724,229-396-5,6507-77-3,"Disodium 7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonate","disodium 7-hydroxy-8-{[4-(1-{4-[(4-hydroxyphenyl)diazenyl]phenyl}cyclohexyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S([O-])(=O)=O,"InChI=1/C34H30N4O8S2.2Na/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46;;/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H30N4O8S2.2Na,,,,,,VNENWQQVIWFWHW-UHFFFAOYSA-L,,,,,,,,,,,
100.030.221,233-257-4,10101-66-3,Ammonium manganese(3+) diphosphate,ammonium manganese(3+) diphosphate,[NH4+].[Mn+3].[O-]P([O-])(=O)OP([O-])([O-])=O,[NH4+].[Mn+3].[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1/Mn.H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;1H3;(H2,1,2,3)(H2,4,5,6)/q+3;;/p-3",H4O7P2.H3N.Mn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5914,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.221,UHHXUPJJDHEMGX-UHFFFAOYSA-K,,,,,,,,,,,
100.030.237,233-275-2,10102-50-8,Iron bis(arsenate),iron bis(arsenate),[Fe+2].[Fe+2].[Fe+2].[O-][As]([O-])(=O)[O-].[O-][As]([O-])([O-])=O,[Fe+2].[Fe+2].[Fe+2].[O-][As]([O-])(=O)[O-].[O-][As]([O-])([O-])=O,"InChI=1/2AsH3O4.3Fe/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",AsH3O4.3/2Fe,,,,,,PRDPGWOYQAUJJB-UHFFFAOYSA-H,,,,,,,,,,,
100.030.245,233-284-1,10103-48-7,"Phosphoric acid, copper salt",copper(1+) dihydrogen phosphate,[Cu+].OP(=O)(O)[O-],[Cu+].OP(=O)(O)[O-],"InChI=1/Cu.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",Cu.xH3O4P,,,,,,MDCAQJOQVHZPFO-UHFFFAOYSA-M,,,,,,,,,,,
100.030.246,233-285-7,10103-50-1,"Arsenic acid, magnesium salt",magnesium hydrogen arsenate,[Mg+2].O[As](=O)([O-])[O-],[Mg+2].O[As](=O)([O-])[O-],"InChI=1/AsH3O4.Mg/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+2/p-2",AsH3O4.xMg,,,,,,DXONECUHCHDOOA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.125,227-637-9,5915-41-3,Terbuthylazine,"N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine",CCNc1nc(Cl)nc(NC(C)(C)C)n1,CCNc1nc(Cl)nc(NC(C)(C)C)n1,"InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)",C9H16ClN5,,,,,,FZXISNSWEXTPMF-UHFFFAOYSA-N,Positive,AU367601|AU367602|AU367603|AU367604;SM841303;EA028401|EA028402|EA028403|EA028404|EA028405|EA028406|EA028407|EA028408|EA028409|EA028410|EA028411|EA028412|EA028413|EA028414;UF403201|UF403202|UF403203|UF403204,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,230.1162:232.1135:174.0531|174.0531:176.0499:230.1162|174.0531:176.0499:132.0315|174.0531:132.0315:146.0219;174.0541:230.1167:96.0556;174.0543|230.1169|230.1167:174.0543:79.006|174.0544:230.1171:146.023|174.0542:132.0324:146.0228|174.0541:104.0011:68.0243|68.0244:104.0011:79.0058|230.1168:174.0542|230.1168:174.0543:132.0319|174.0542:230.1167:146.0229|174.0543:132.0324:146.0229|174.0542:104.0011:68.0244|104.001:68.0243:79.0058|174.0543;174.054:132.0323:146.0227|104.0009:174.0539:96.0555|174.0539:230.1166|174.0539,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.025.128,227-641-0,5917-47-5,1-dodecylpiperidine,1-dodecylpiperidine,CCCCCCCCCCCCN1CCCCC1,CCCCCCCCCCCCN1CCCCC1,"InChI=1/C17H35N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h2-17H2,1H3",C17H35N,,,,,,BHDDSIBLLZQKRF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.129,227-642-6,5919-74-4,"2,3-dihydroxypropyl methacrylate","2,3-dihydroxypropyl methacrylate",CC(=C)C(=O)OCC(O)CO,CC(=C)C(=O)OCC(O)CO,"InChI=1/C7H12O4/c1-5(2)7(10)11-4-6(9)3-8/h6,8-9H,1,3-4H2,2H3",C7H12O4,,,,,,QRIMLDXJAPZHJE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.137,227-651-5,5922-60-1,2-amino-5-chlorobenzonitrile,2-amino-5-chlorobenzonitrile,Nc1ccc(Cl)cc1C#N,Nc1ccc(Cl)cc1C#N,"InChI=1/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2",C7H5ClN2,,,,,,QYRDWARBHMCOAG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.139,227-653-6,5922-92-9,Tetrahexylammonium chloride,"N,N,N-trihexylhexan-1-aminium chloride",[Cl-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,[Cl-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,"InChI=1/C24H52N.ClH/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1",C24H52N.Cl,,,,,,ODTSDWCGLRVBHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.030.087,233-109-9,10034-85-2,Hydrogen iodide,iodide,[I-],[I-],InChI=1/HI/h1H/p-1,HI,,,,,,XMBWDFGMSWQBCA-UHFFFAOYSA-M,,,,,,,,,,,
100.015.905,217-495-6,1873-29-6,2-methylpropyl isocyanate,1-isocyanato-2-methylpropane,CC(C)CN=C=O,CC(C)CN=C=O,"InChI=1/C5H9NO/c1-5(2)3-6-4-7/h5H,3H2,1-2H3",C5H9NO,,,,,,NNZVKALEGZPYKL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.909,217-499-8,1874-22-2,5-nitrofuran-2-acrylaldehyde,3-(5-nitro-2-furyl)acrylaldehyde,[O-][N+](=O)c1oc(\\C=C\\C=O)cc1,[O-][N+](=O)c1oc(\C=C\C=O)cc1,InChI=1/C7H5NO4/c9-5-1-2-6-3-4-7(12-6)8(10)11/h1-5H,C7H5NO4,,,,,,DXWCZMGIIFEEPU-OWOJBTEDSA-N,,,,,,,,,,,
100.015.911,217-501-7,1874-42-6,"2-(2-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole","2-(2-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole",COc1ccccc1c2oc(nn2)c3ccccc3,COc1ccccc1c2oc(nn2)c3ccccc3,"InChI=1/C15H12N2O2/c1-18-13-10-6-5-9-12(13)15-17-16-14(19-15)11-7-3-2-4-8-11/h2-10H,1H3",C15H12N2O2,,,,,,LVANXZXLJHUWEA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.922,217-513-2,1877-75-4,(4-methoxyphenoxy)acetic acid,(4-methoxyphenoxy)acetic acid,COc1ccc(OCC(=O)O)cc1,COc1ccc(OCC(=O)O)cc1,"InChI=1/C9H10O4/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O4,,,,,,BHFSBJHPPFJCOS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.928,217-520-0,1878-65-5,m-chlorophenylacetic acid,(3-chlorophenyl)acetic acid,OC(=O)Cc1cccc(Cl)c1,OC(=O)Cc1cccc(Cl)c1,"InChI=1/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7ClO2,,,,,,WFPMUFXQDKMVCO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.929,217-521-6,1878-66-6,p-chlorophenylacetic acid,(4-chlorophenyl)acetic acid,OC(=O)Cc1ccc(Cl)cc1,OC(=O)Cc1ccc(Cl)cc1,"InChI=1/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7ClO2,,,,,,CDPKJZJVTHSESZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.939,217-532-6,1879-00-1,"2,6-dimethyloct-7-en-4-one","2,6-dimethyloct-7-en-4-one",CC(C)CC(=O)CC(C)C=C,CC(C)CC(=O)CC(C)C=C,"InChI=1/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3",C10H18O,,,,,,VUSBHGLIAQXBSW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.941,217-534-7,1879-72-7,Dexamethasone 21-(3-phenylpropionate),"9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-phenylpropanoate",CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)CCc5ccccc5,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)CCc5ccccc5,"InChI=1/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3",C31H37FO6,,,,,,CTKMBLPPDDQOSU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.866,227-351-4,5800-34-0,(S)-5-[[1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-5-oxovaleric acid,5-({1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl}amino)-5-oxopentanoic acid,OC(=O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],OC(=O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C20H21N3O6/c24-18(7-4-8-19(25)26)22-17(13-14-5-2-1-3-6-14)20(27)21-15-9-11-16(12-10-15)23(28)29/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,21,27)(H,22,24)(H,25,26)",C20H21N3O6,,,,,,LFZGBNATHRHOKZ-KRWDZBQOSA-N,,,,,,,,,,,
100.024.868,227-354-0,5802-76-6,"Diethyl hydrogen phosphate, compound with triethylamine (1:1)","diethyl hydrogen phosphate - N,N-diethylethanamine (1:1)",CCOP(=O)(O)OCC.CCN(CC)CC,CCOP(=O)(O)OCC.CCN(CC)CC,"InChI=1/C6H15N.C4H11O4P/c1-4-7(5-2)6-3;1-3-7-9(5,6)8-4-2/h4-6H2,1-3H3;3-4H2,1-2H3,(H,5,6)",C6H15N.C4H11O4P,,,,,,FLNPWUGCMTYXJE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.871,227-357-7,5803-30-5,"2',5'-dimethoxypropiophenone","1-(2,5-dimethoxyphenyl)propan-1-one",CCC(=O)c1cc(OC)ccc1OC,CCC(=O)c1cc(OC)ccc1OC,"InChI=1/C11H14O3/c1-4-10(12)9-7-8(13-2)5-6-11(9)14-3/h5-7H,4H2,1-3H3",C11H14O3,,,,,,DKVCHMQHUMLKPO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.500,229-150-7,8/04/6420,"Disodium 5-[[4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-3-methylsalicylate","disodium 5-[(3,3'-dimethyl-4'-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-4-yl)diazenyl]-2-hydroxy-3-methylbenzoate",[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)N=Nc2ccc(cc2C)c5ccc(N=NC4C(\\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(C)c5,[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)N=Nc2ccc(cc2C)c5ccc(N=NC4C(\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(C)c5,"InChI=1/C32H28N6O7S.2Na/c1-17-13-21(5-11-27(17)34-33-23-15-19(3)30(39)26(16-23)32(41)42)22-6-12-28(18(2)14-22)35-36-29-20(4)37-38(31(29)40)24-7-9-25(10-8-24)46(43,44)45;;/h5-16,29,39H,1-4H3,(H,41,42)(H,43,44,45);;/q;2*+1/p-2",C32H28N6O7S.2Na,,,,,,MZXMXFDRJVJSAB-UHFFFAOYSA-L,,,,,,,,,,,
100.026.504,229-154-9,6420-29-7,"Tetrasodium 3,3'-[carbonylbis[imino(2,5-dimethyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate","tetrasodium 3-({4-[({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-2,5-dimethylphenyl}carbamoyl)amino]-2,5-dimethylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cccc1c6cc(cc1S([O-])(=O)=O)N=Nc2cc(C)c(cc2C)NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5C,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cccc1c6cc(cc1S([O-])(=O)=O)N=Nc2cc(C)c(cc2C)NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5C,"InChI=1/C37H32N6O13S4.4Na/c1-19-13-31(42-40-23-15-27-25(35(17-23)59(51,52)53)7-5-9-33(27)57(45,46)47)21(3)11-29(19)38-37(44)39-30-12-22(4)32(14-20(30)2)43-41-24-16-28-26(36(18-24)60(54,55)56)8-6-10-34(28)58(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C37H32N6O13S4.4Na,,,,,,QXBDBNJRAAKDCK-UHFFFAOYSA-J,,,,,,,,,,,
100.016.182,217-799-9,1956-30-5,"2'-deoxy-5-iodouridine 3',5'-diacetate","3',5'-di-O-acetyl-2'-deoxy-5-iodouridine",CC(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)N2C=C(I)C(=O)NC2=O,CC(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)N2C=C(I)C(=O)NC2=O,"InChI=1/C13H15IN2O7/c1-6(17)21-5-10-9(22-7(2)18)3-11(23-10)16-4-8(14)12(19)15-13(16)20/h4,9-11H,3,5H2,1-2H3,(H,15,19,20)",C13H15IN2O7,,,,,,LVDYIZDWXVFTQG-HBNTYKKESA-N,,,,,,,,,,,
100.016.196,217-814-9,1966-65-0,3-methyl-1-phenylpent-1-yn-3-ol,3-methyl-1-phenylpent-1-yn-3-ol,CCC(C)(O)C#Cc1ccccc1,CCC(C)(O)C#Cc1ccccc1,"InChI=1/C12H14O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3H2,1-2H3",C12H14O,,,,,,MTBIBEIZKLZPIM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.197,217-815-4,1967-16-4,Chlorbufam,1-methylprop-2-yn-1-yl (3-chlorophenyl)carbamate,CC(OC(=O)Nc1cccc(Cl)c1)C#C,CC(OC(=O)Nc1cccc(Cl)c1)C#C,"InChI=1/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)",C11H10ClNO2,,,,,,ULBXWWGWDPVHAO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.206,217-825-9,6/05/1974,3-bromoheptane,3-bromoheptane,CCCCC(Br)CC,CCCCC(Br)CC,"InChI=1/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3",C7H15Br,,,,,,MLHXKYLLJRLHGH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.207,217-826-4,1975-50-4,3-nitro-o-toluic acid,2-methyl-3-nitrobenzoic acid,Cc1c(cccc1[N+](=O)[O-])C(=O)O,Cc1c(cccc1[N+](=O)[O-])C(=O)O,"InChI=1/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO4,,,,,,YPQAFWHSMWWPLX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.209,217-829-0,1975-52-6,5-nitro-o-toluic acid,2-methyl-5-nitrobenzoic acid,Cc1ccc(cc1C(=O)O)[N+](=O)[O-],Cc1ccc(cc1C(=O)O)[N+](=O)[O-],"InChI=1/C8H7NO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)",C8H7NO4,,,,,,DJRFJAVPROZZFL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.210,217-830-6,1975-78-6,Decanenitrile,decanenitrile,CCCCCCCCCC#N,CCCCCCCCCC#N,"InChI=1/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3",C10H19N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12774,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.210,HBZDPWBWBJMYRY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.531,221-484-1,7/05/3115,Iobenzamic acid,"N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alanine",Nc1c(I)cc(I)c(C(=O)N(CCC(=O)O)c2ccccc2)c1I,Nc1c(I)cc(I)c(C(=O)N(CCC(=O)O)c2ccccc2)c1I,"InChI=1/C16H13I3N2O3/c17-10-8-11(18)15(20)14(19)13(10)16(24)21(7-6-12(22)23)9-4-2-1-3-5-9/h1-5,8H,6-7,20H2,(H,22,23)",C16H13I3N2O3,,,,,,FJYJNLIEGUTPIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.533,221-486-2,3115-49-9,(4-nonylphenoxy)acetic acid,(4-nonylphenoxy)acetic acid,CCCCCCCCCc1ccc(OCC(=O)O)cc1,CCCCCCCCCc1ccc(OCC(=O)O)cc1,"InChI=1/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)",C17H26O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13127,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.533,NISAHDHKGPWBEM-UHFFFAOYSA-N,Negative,,,,,,ETS00010;LIT00039,[M-H]-;[M-H]-,HCD60 NCE;CID45 V,219.1747:277.1798:233.1903;219.1749:220.1773:236.1024,Eawag_Additional_Specs2;Literature_Specs
100.019.534,221-487-8,3115-68-2,Tetrabutylphosphonium bromide,tetrabutylphosphonium bromide,[Br-].CCCC[P+](CCCC)(CCCC)CCCC,[Br-].CCCC[P+](CCCC)(CCCC)CCCC,"InChI=1/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",C16H36P.Br,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18995,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.534,RKHXQBLJXBGEKF-UHFFFAOYSA-M,,,,,,,,,,,
100.019.535,221-488-3,3116-76-5,Dicloxacillin,"6-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl,Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl,"InChI=1/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)",C19H17Cl2N3O5S,,,,,,YFAGHNZHGGCZAX-JKIFEVAISA-N,,,,,,,,,,,
100.019.536,221-489-9,3117-02-0,"2,3-dimethoxy-p-benzoquinone","2,3-dimethoxy-1,4-benzoquinone",COC1=C(OC)C(=O)C=CC1=O,COC1=C(OC)C(=O)C=CC1=O,"InChI=1/C8H8O4/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3",C8H8O4,,,,,,NADHCXOXVRHBHC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.537,221-490-4,3118-97-6,"1-(2,4-dimethylphenylazo)-2-naphthol","1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol",Cc3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3,Cc3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3,"InChI=1/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3",C18H16N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17566,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.537,JBTHDAVBDKKSRW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.541,221-495-1,3119-94-6,3-ethylbenzothiazolium iodide,"3-ethyl-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]1csc2ccccc12,[I-].CC[n+]1csc2ccccc12,"InChI=1/C9H10NS.HI/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1",C9H10NS.I,,,,,,BUSBIZJDTNTELP-UHFFFAOYSA-M,,,,,,,,,,,
100.019.550,221-504-9,3123-93-1,"2,2-dimethylhex-3-ene","2,2-dimethylhex-3-ene",CC(C)(C)C=CCC,CC(C)(C)C=CCC,"InChI=1/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3",C8H16,,,,,,JPLZSSHKQZJYTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.556,221-511-7,1/06/3128,5-oxohexanoic acid,5-oxohexanoic acid,CC(=O)CCCC(=O)O,CC(=O)CCCC(=O)O,"InChI=1/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)",C6H10O3,,,,,,MGTZCLMLSSAXLD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.557,221-512-2,2/07/3128,6-oxoheptanoic acid,6-oxoheptanoic acid,CC(=O)CCCCC(=O)O,CC(=O)CCCCC(=O)O,"InChI=1/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)",C7H12O3,,,,,,IZOQMUVIDMLRDC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.911,229-601-8,6627-89-0,tert-butyl phenyl carbonate,tert-butyl phenyl carbonate,CC(C)(C)OC(=O)Oc1ccccc1,CC(C)(C)OC(=O)Oc1ccccc1,"InChI=1/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3",C11H14O3,,,,,,UXWVQHXKKOGTSY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.919,229-610-7,6628-68-8,Diethyl 2-phenylethylmalonate,diethyl (2-phenylethyl)malonate,CCOC(=O)C(CCc1ccccc1)C(=O)OCC,CCOC(=O)C(CCc1ccccc1)C(=O)OCC,"InChI=1/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",C15H20O4,,,,,,LMFLGETWXFOVMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.922,229-613-3,6628-81-5,N-(1-methyl-2-oxopropyl)acetamide,N-(1-methyl-2-oxopropyl)acetamide,CC(NC(=O)C)C(=O)C,CC(NC(=O)C)C(=O)C,"InChI=1/C6H11NO2/c1-4(5(2)8)7-6(3)9/h4H,1-3H3,(H,7,9)",C6H11NO2,,,,,,IRVPUNRJDRXQBL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.927,229-619-6,6630-00-8,N-[4-[[[(butylamino)carbonyl]amino]sulphonyl]phenyl]acetamide,N-{4-[(butylcarbamoyl)sulfamoyl]phenyl}acetamide,CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C)cc1,CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C)cc1,"InChI=1/C13H19N3O4S/c1-3-4-9-14-13(18)16-21(19,20)12-7-5-11(6-8-12)15-10(2)17/h5-8H,3-4,9H2,1-2H3,(H,15,17)(H2,14,16,18)",C13H19N3O4S,,,,,,ZIFOWKKZIWXFJO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.928,229-620-1,1/11/6630,Bis(6-methyl-2-pyridyl) diketone,"1,2-bis(6-methylpyridin-2-yl)ethane-1,2-dione",Cc1cccc(n1)C(=O)C(=O)c2cccc(C)n2,Cc1cccc(n1)C(=O)C(=O)c2cccc(C)n2,"InChI=1/C14H12N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8H,1-2H3",C14H12N2O2,,,,,,GXRQKSBITVLBQD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.933,229-625-9,6631-37-4,N-2-pyridylaniline,N-phenylpyridin-2-amine,N(c1ccccc1)c2ccccn2,N(c1ccccc1)c2ccccn2,"InChI=1/C11H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H,(H,12,13)",C11H10N2,,,,,,HUDSSSKDWYXKGP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.934,229-626-4,6631-94-3,Methyl phenothiazin-2-yl ketone,1-(10H-phenothiazin-2-yl)ethanone,CC(=O)c1ccc2Sc3ccccc3Nc2c1,CC(=O)c1ccc2Sc3ccccc3Nc2c1,"InChI=1/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3",C14H11NOS,,,,,,JWGBOHJGWOPYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.936,229-629-0,6632-68-4,"6-amino-1,3-dimethyl-5-nitrosouracil","6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione",CN1C(=O)N(C)C(=O)C(=C1N)N=O,CN1C(=O)N(C)C(=O)C(=C1N)N=O,"InChI=1/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7H2,1-2H3",C6H8N4O3,,,,,,MGBDANYXBKROBW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.952,229-646-3,6639-62-9,"Methyl 3-oxo1,2-benzisothiazole-2(3H)-acetate 1,1-dioxide","methyl (1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate",COC(=O)CN1C(=O)c2ccccc2S1(=O)=O,COC(=O)CN1C(=O)c2ccccc2S1(=O)=O,"InChI=1/C10H9NO5S/c1-16-9(12)6-11-10(13)7-4-2-3-5-8(7)17(11,14)15/h2-5H,6H2,1H3",C10H9NO5S,,,,,,YWLDQSMTDJWJCC-UHFFFAOYSA-N,,,,,,,,,,,
100.023.061,225-367-6,4807-55-0,3-methylrhodanine,"3-methyl-2-thioxo-1,3-thiazolidin-4-one",CN1C(=O)CSC1=S,CN1C(=O)CSC1=S,"InChI=1/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2H2,1H3",C4H5NOS2,,,,,,JKLZCQWVERBDEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.062,225-368-1,4808-24-6,"10-[(dimethylthiocarbamoyl)thio]-5,10-dihydrophenarsazine","N,N-dimethyl-1-(phenarsazin-10(5H)-ylsulfanyl)-1-thioxomethanamine",CN(C)C(=S)S[As]1c2ccccc2Nc3ccccc13,CN(C)C(=S)S[As]1c2ccccc2Nc3ccccc13,"InChI=1/C15H15AsN2S2/c1-18(2)15(19)20-16-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16/h3-10,17H,1-2H3",C15H15AsN2S2,,,,,,PXCMIIWXDOIGLN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.064,225-370-2,4808-48-4,"3,4-diphenylfuran-2,5-dione","3,4-diphenylfuran-2,5-dione",O=C1OC(=O)C(=C1c2ccccc2)c3ccccc3,O=C1OC(=O)C(=C1c2ccccc2)c3ccccc3,InChI=1/C16H10O3/c17-15-13(11-7-3-1-4-8-11)14(16(18)19-15)12-9-5-2-6-10-12/h1-10H,C16H10O3,,,,,,OUJCFCNZIUTYBH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.070,225-377-0,4812-14-0,a-hydroxypyridine-3-methanesulphonic acid,hydroxy(pyridin-3-yl)methanesulfonic acid,OC(c1cccnc1)S(=O)(=O)O,OC(c1cccnc1)S(=O)(=O)O,"InChI=1/C6H7NO4S/c8-6(12(9,10)11)5-2-1-3-7-4-5/h1-4,6,8H,(H,9,10,11)",C6H7NO4S,,,,,,FPOVRMNPSROFGX-UHFFFAOYSA-N,,,,,,,,,,,
100.023.078,225-385-4,4814-74-8,"1-hydroxy-1H-pyrrole-2,5-dione","1-hydroxy-1H-pyrrole-2,5-dione",ON1C(=O)C=CC1=O,ON1C(=O)C=CC1=O,"InChI=1/C4H3NO3/c6-3-1-2-4(7)5(3)8/h1-2,8H",C4H3NO3,,,,,,BUXKULRFRATXSI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.079,225-387-5,4815-24-1,"Ethyl 2-amino-4,5-dimethyl3-thenoate","ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate",CCOC(=O)c1c(C)c(C)sc1N,CCOC(=O)c1c(C)c(C)sc1N,"InChI=1/C9H13NO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4,10H2,1-3H3",C9H13NO2S,,,,,,JYSDXODDWAQWJR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.080,225-388-0,4815-30-9,"Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate","diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate",CCOC(=O)c1sc(N)c(C(=O)OCC)c1C,CCOC(=O)c1sc(N)c(C(=O)OCC)c1C,"InChI=1/C11H15NO4S/c1-4-15-10(13)7-6(3)8(17-9(7)12)11(14)16-5-2/h4-5,12H2,1-3H3",C11H15NO4S,,,,,,DGVXLHAJVRRLGV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.090,233-113-0,10035-10-6,Hydrogen bromide,bromide,[Br-],[Br-],InChI=1/BrH/h1H/p-1,BrH,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14814,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.090,CPELXLSAUQHCOX-UHFFFAOYSA-M,,,,,,,,,,,
100.030.097,233-120-9,10040-45-6,Sodium picosulfate,"disodium (pyridin-2-ylmethylene)di-4,1-phenylene disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1ccc(cc1)C(c2ccc(OS(=O)(=O)[O-])cc2)c3ccccn3,[Na+].[Na+].[O-]S(=O)(=O)Oc1ccc(cc1)C(c2ccc(OS(=O)(=O)[O-])cc2)c3ccccn3,"InChI=1/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C18H15NO8S2.2Na,,,,,,GOZDTZWAMGHLDY-UHFFFAOYSA-L,,,,,,,,,,,
100.030.104,233-128-2,10042-66-7,"Stearic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)","octadecanoic acid - 1,1'-iminodipropan-2-ol (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.CC(O)CNCC(C)O,CCCCCCCCCCCCCCCCCC(=O)O.CC(O)CNCC(C)O,"InChI=1/C18H36O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5(8)3-7-4-6(2)9/h2-17H2,1H3,(H,19,20);5-9H,3-4H2,1-2H3",C18H36O2.C6H15NO2,,,,,,WGQPIPNTXUNINT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.107,233-131-9,10042-76-9,Strontium nitrate,strontium dinitrate,[Sr+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Sr+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2NO3.Sr/c2*2-1(3)4;/q2*-1;+2,HNO3.1/2Sr,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13508,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.107,DHEQXMRUPNDRPG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.111,233-136-6,10043-11-5,Boron nitride,nitriloborane,B#N,B#N,InChI=1/BN/c1-2,BN,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13555,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.111,PZNSFCLAULLKQX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.112,233-137-1,10043-22-8,"Oxalic acid, potassium salt","oxalic acid, potassium salt",[K+].OC(=O)C(=O)[O-],[K+].OC(=O)C(=O)[O-],"InChI=1/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1",C2H2O4.xK,,,,,,JMTCDHVHZSGGJA-UHFFFAOYSA-M,,,,,,,,,,,
100.030.119,233-145-5,10043-91-1,Phosphorodiamidic acid,phosphorodiamidic acid,NP(=O)(N)O,NP(=O)(N)O,"InChI=1/H5N2O2P/c1-5(2,3)4/h(H5,1,2,3,4)",H5N2O2P,,,,,,ANCLJVISBRWUTR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.122,233-148-1,10045-45-1,1-ethylbenzimidazolin-2-one,"1-ethyl-1,3-dihydro-2H-benzimidazol-2-one",CCN1C(=O)Nc2ccccc12,CCN1C(=O)Nc2ccccc12,"InChI=1/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)",C9H10N2O,,,,,,CXUCKELNYMZTRT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.752,227-226-4,5721-91-5,17ß-hydroxyandrost-4-en-3-one decanoate,3-oxoandrost-4-en-17-yl decanoate,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3",C29H46O3,,,,,,LBERVHLCXUMDOT-MPZZESAYSA-N,,,,,,,,,,,
100.024.758,227-233-2,5728-52-9,4-biphenylacetic acid,biphenyl-4-ylacetic acid,OC(=O)Cc1ccc(cc1)c2ccccc2,OC(=O)Cc1ccc(cc1)c2ccccc2,"InChI=1/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)",C14H12O2,,,,,,QRZAKQDHEVVFRX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.787,225-065-4,4638-48-6,5-chlorosalicylanilide,5-chloro-2-hydroxy-N-phenylbenzamide,Oc1ccc(Cl)cc1C(=O)Nc2ccccc2,Oc1ccc(Cl)cc1C(=O)Nc2ccccc2,"InChI=1/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)",C13H10ClNO2,,,,,,KGYNGVVNFRUOOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.790,225-069-6,4641-57-0,1-phenylpyrrolidin-2-one,1-phenylpyrrolidin-2-one,O=C1CCCN1c2ccccc2,O=C1CCCN1c2ccccc2,"InChI=1/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C10H11NO,,,,,,JMVIVASFFKKFQK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.791,225-070-1,4643-25-8,Hept-2-en-4-one,hept-2-en-4-one,CCCC(=O)C=CC,CCCC(=O)C=CC,"InChI=1/C7H12O/c1-3-5-7(8)6-4-2/h3,5H,4,6H2,1-2H3",C7H12O,,,,,,TXVAOITYBBWKMG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.795,225-074-3,2/07/4645,"2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",COc3ccccc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,COc3ccccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C17H16N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)23-2)17(22)21(20-12)13-8-4-3-5-9-13/h3-11,16H,1-2H3",C17H16N4O2,,,,,,UXNFQAZIRFBOKO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.797,225-076-4,4645-32-3,Dimethyl vinylphosphonate,dimethyl vinylphosphonate,COP(=O)(OC)C=C,COP(=O)(OC)C=C,"InChI=1/C4H9O3P/c1-4-8(5,6-2)7-3/h4H,1H2,2-3H3",C4H9O3P,,,,,,CQCXMYUCNSJSKG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.798,225-078-5,4648-54-8,Azidotrimethylsilane,azido(trimethyl)silane,C[Si](C)(C)N=[N+]=[N-],C[Si](C)(C)N=[N+]=[N-],"InChI=1/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3",C3H9N3Si,,,,,,SEDZOYHHAIAQIW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.805,225-085-3,4651-91-6,"2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile","2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile",Nc1sc2CCCCc2c1C#N,Nc1sc2CCCCc2c1C#N,"InChI=1/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2",C9H10N2S,,,,,,ADHVMGAFAKSNOM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.509,229-160-1,6420-39-9,"Disodium 7,7'-iminobis[3-[(3-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate]","disodium 7,7'-iminobis{3-[(3-aminophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate}",[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2cccc(N)c2)Nc4ccc6c(c4)cc(c(N=Nc5cccc(N)c5)c6O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2cccc(N)c2)Nc4ccc6c(c4)cc(c(N=Nc5cccc(N)c5)c6O)S([O-])(=O)=O,"InChI=1/C32H25N7O8S2.2Na/c33-19-3-1-5-23(15-19)36-38-29-27(48(42,43)44)13-17-11-21(7-9-25(17)31(29)40)35-22-8-10-26-18(12-22)14-28(49(45,46)47)30(32(26)41)39-37-24-6-2-4-20(34)16-24;;/h1-16,35,40-41H,33-34H2,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C32H25N7O8S2.2Na,,,,,,WOGRZDRPXGONFR-UHFFFAOYSA-L,,,,,,,,,,,
100.026.516,229-168-5,6420-65-1,"4,4'-(1-methylpropylidene)bis[o-cresol]","4,4'-butane-2,2-diylbis(2-methylphenol)",CCC(C)(c1ccc(O)c(C)c1)c2ccc(O)c(C)c2,CCC(C)(c1ccc(O)c(C)c1)c2ccc(O)c(C)c2,"InChI=1/C18H22O2/c1-5-18(4,14-6-8-16(19)12(2)10-14)15-7-9-17(20)13(3)11-15/h6-11,19-20H,5H2,1-4H3",C18H22O2,,,,,,KKBHVPNWMXTNBL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.522,229-174-8,6421-88-1,2-(4-aminophenoxy)ethanol,2-(4-aminophenoxy)ethanol,Nc1ccc(OCCO)cc1,Nc1ccc(OCCO)cc1,"InChI=1/C8H11NO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6,9H2",C8H11NO2,,,,,,SRCAKTIYISIAIT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.524,229-176-9,6422-86-2,Bis(2-ethylhexyl) terephthalate,bis(2-ethylhexyl) terephthalate,CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC,"InChI=1/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3",C24H38O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15238,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.524,RWPICVVBGZBXNA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.009,225-310-5,4769-73-7,1-chloro-3-phenoxypropan-2-ol,1-chloro-3-phenoxypropan-2-ol,OC(CCl)COc1ccccc1,OC(CCl)COc1ccccc1,"InChI=1/C9H11ClO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2",C9H11ClO2,,,,,,HCTDRZMGZRHFJV-UHFFFAOYSA-N,,,,,,,,,,,
100.023.017,225-318-9,4774-73-6,Diazidodimethylsilane,diazido(dimethyl)silane,C[Si](C)(N=[N+]=[N-])N=[N+]=[N-],C[Si](C)(N=[N+]=[N-])N=[N+]=[N-],"InChI=1/C2H6N6Si/c1-9(2,7-5-3)8-6-4/h1-2H3",C2H6N6Si,,,,,,QYNWVPNBQDQHJF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.018,225-319-4,4774-75-8,Azidomethyldiphenylsilane,(azidomethyl)(diphenyl)silane,[N-]=[N+]=NC[SiH](c1ccccc1)c2ccccc2,[N-]=[N+]=NC[SiH](c1ccccc1)c2ccccc2,"InChI=1/C13H13N3Si/c14-16-15-11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,17H,11H2",C13H13N3Si,,,,,,ZLKLORXPEQOBBT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.020,225-322-0,1/06/4776,Flusalan,"3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide",Oc1c(Br)cc(Br)cc1C(=O)Nc2cccc(c2)C(F)(F)F,Oc1c(Br)cc(Br)cc1C(=O)Nc2cccc(c2)C(F)(F)F,"InChI=1/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)",C14H8Br2F3NO2,,,,,,VYKKDKFTDMVOBU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.029,225-332-5,4784-77-4,1-bromobut-2-ene,1-bromobut-2-ene,BrCC=CC,BrCC=CC,"InChI=1/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3",C4H7Br,,,,,,AVMHMVJVHYGDOO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.030,225-333-0,4785-04-0,Cytidylyl-(5'<U+2192>3')-guanosine,-,NC1=Nc2c(ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=NC5=O)N)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=NC5=O)N)C3O)C(=O)N1,"InChI=1/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)16-11(30)10(29)7(38-16)4-36-40(34,35)39-13-6(3-28)37-17(12(13)31)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)",C19H25N8O12P,,,,,,DQTQQHQGSZWEMR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.041,225-345-6,4792-67-0,Ethyl 5-chloroindole-2-carboxylate,ethyl 5-chloro-1H-indole-2-carboxylate,CCOC(=O)c1cc2cc(Cl)ccc2[nH]1,CCOC(=O)c1cc2cc(Cl)ccc2[nH]1,"InChI=1/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3",C11H10ClNO2,,,,,,LWKIFKYHCJAIAB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.042,225-346-1,4792-78-3,2-(2-hydroxyethoxy)phenol,2-(2-hydroxyethoxy)phenol,OCCOc1ccccc1O,OCCOc1ccccc1O,"InChI=1/C8H10O3/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4,9-10H,5-6H2",C8H10O3,,,,,,AMCOCUDBDKVWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.049,225-354-5,4798-39-4,"1,5-bis(2,3-epoxypropoxy)-2,2,3,3,4,4-hexafluoropentane","2,2'-[(2,2,3,3,4,4-hexafluoropentane-1,5-diyl)bis(oxymethylene)]dioxirane",FC(F)(COCC1CO1)C(F)(F)C(F)(F)COCC2CO2,FC(F)(COCC1CO1)C(F)(F)C(F)(F)COCC2CO2,"InChI=1/C11H14F6O4/c12-9(13,5-18-1-7-3-20-7)11(16,17)10(14,15)6-19-2-8-4-21-8/h7-8H,1-6H2",C11H14F6O4,,,,,,OIGSRLUDJHIAPI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.054,225-359-2,4800-53-7,1-ethyl-6-methoxyquinoline-2(1H)-thione,1-ethyl-6-methoxyquinoline-2(1H)-thione,CCN1C(=S)C=Cc2cc(OC)ccc12,CCN1C(=S)C=Cc2cc(OC)ccc12,"InChI=1/C12H13NOS/c1-3-13-11-6-5-10(14-2)8-9(11)4-7-12(13)15/h4-8H,3H2,1-2H3",C12H13NOS,,,,,,XTCNECLGISWWCO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.449,231-294-0,7486-39-7,Magnesium adipate,magnesium adipate,[Mg+2].[O-]C(=O)CCCCC(=O)[O-],[Mg+2].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.Mg/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2",C6H10O4.Mg,,,,,,QXNFATVALXHNRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.028.450,231-295-6,7486-40-0,Calcium adipate,calcium adipate,[Ca+2].[O-]C(=O)CCCCC(=O)[O-],[Ca+2].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.Ca/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2",C6H10O4.Ca,,,,,,KTAAUBVMSAZOLC-UHFFFAOYSA-L,,,,,,,,,,,
100.019.561,221-516-4,3129-92-8,"Benzoic acid, compound with cyclohexylamine (1:1)",cyclohexanamine benzoate,NC1CCCCC1.OC(=O)c2ccccc2,NC1CCCCC1.OC(=O)c2ccccc2,"InChI=1/C7H6O2.C6H13N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);6H,1-5,7H2",C7H6O2.C6H13N,,,,,,CIFYUXXXOJJPOL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.563,221-519-0,3130-28-7,Iron(3+) octanoate,iron(3+) trioctanoate,[Fe+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Fe+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/3C8H16O2.Fe/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Fe,,,,,,ORTRPLABQKAPKJ-UHFFFAOYSA-K,,,,,,,,,,,
100.019.564,221-520-6,3130-29-8,Potassium p-tert-butylphenolate,potassium 4-tert-butylphenolate,[K+].CC(C)(C)c1ccc([O-])cc1,[K+].CC(C)(C)c1ccc([O-])cc1,"InChI=1/C10H14O.K/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;/q;+1/p-1",C10H14O.K,,,,,,YPPBVACKXHPUGV-UHFFFAOYSA-M,,,,,,,,,,,
100.019.565,221-521-1,3130-87-8,"D,L-asparagine monohydrate",L-asparagine hydrate,O.NC(=O)C[C@H](N)C(O)=O,O.NC(=O)C[C@H](N)C(O)=O,"InChI=1/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2",C4H8N2O3,,,,,,RBMGJIZCEWRQES-DKWTVANSSA-N,,,,,,,,,,,
100.019.570,221-526-9,3132-99-8,3-bromobenzaldehyde,3-bromobenzaldehyde,Brc1cccc(C=O)c1,Brc1cccc(C=O)c1,InChI=1/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H,C7H5BrO,,,,,,SUISZCALMBHJQX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.581,218-239-6,2090-62-2,N-dodecylbenzylamine hydrochloride,N-benzyldodecan-1-amine hydrochloride,Cl.CCCCCCCCCCCCNCc1ccccc1,Cl.CCCCCCCCCCCCNCc1ccccc1,"InChI=1/C19H33N.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-19-15-12-11-13-16-19;/h11-13,15-16,20H,2-10,14,17-18H2,1H3;1H",C19H33N.ClH,,,,,,OTPBAANTTKRERC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.584,218-242-2,2091-46-5,Prop-2-ynyltriphenylphosphonium bromide,triphenyl(prop-2-yn-1-yl)phosphonium bromide,[Br-].C#CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].C#CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h1,3-17H,18H2;1H/q+1;/p-1",C21H18P.Br,,,,,,AFZDAWIXETXKRE-UHFFFAOYSA-M,,,,,,,,,,,
100.016.587,218-245-9,2092-17-3,Barium thiocyanate,barium bis(thiocyanate),[Ba+2].[S-]C#N.[S-]C#N,[Ba+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Ba/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Ba,,,,,,LKZCRGABYQYUFX-UHFFFAOYSA-L,,,,,,,,,,,
100.016.590,218-249-0,2092-65-1,Adenosine trisodium 5'-diphosphate trihydrate,trisodium 9-{5-O-[(phosphonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine,Nc1ncnc2c1ncn2C3OC(COP(=O)(O[Na])OP(=O)(O[Na])O[Na])C(O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O[Na])OP(=O)(O[Na])O[Na])C(O)C3O,"InChI=1/C10H15N5O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/rC10H12N5Na3O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(20)6(19)4(24-10)1-23-29(21,25-16)28-30(22,26-17)27-18/h2-4,6-7,10,19-20H,1H2,(H2,11,12,13)",C10H15N5O10P2.3Na,,,,,,KWEUUBDPVVHQAL-UHFFFAOYSA-K,,,,,,,,,,,
100.016.595,218-254-8,2094-98-6,"1,1'-azobis(1-cyclohexanecarbonitrile)","1,1'-diazene-1,2-diyldicyclohexanecarbonitrile",N#CC2(N=NC1(CCCCC1)C#N)CCCCC2,N#CC2(N=NC1(CCCCC1)C#N)CCCCC2,InChI=1/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2,C14H20N4,,,,,,KYIKRXIYLAGAKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.598,218-257-4,6/03/2095,"2,2'-[methylenebis(p-phenyleneoxymethylene)]bisoxirane","2,2'-[methylenebis(4,1-phenyleneoxymethylene)]dioxirane",C(Oc1ccc(Cc2ccc(OCC3CO3)cc2)cc1)C4CO4,C(Oc1ccc(Cc2ccc(OCC3CO3)cc2)cc1)C4CO4,"InChI=1/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2",C19H20O4,,,,,,XUCHXOAWJMEFLF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.603,218-263-7,2097-19-0,"1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",C1CN2CCO[Si](OCC2)(O1)c3ccccc3,C1CN2CCO[Si](OCC2)(O1)c3ccccc3,"InChI=1/C12H17NO3Si/c1-2-4-12(5-3-1)17-14-9-6-13(7-10-15-17)8-11-16-17/h1-5H,6-11H2",C12H17NO3Si,,,,,,IJOIPPSHQCEBDH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.608,218-268-4,2102-58-1,(1S-trans)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-ol,5-isopropenyl-2-methylcyclohex-2-en-1-ol,CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1,CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C10H16O,,,,,,BAVONGHXFVOKBV-ZJUUUORDSA-N,,,,,,,,,,,
100.016.610,218-271-0,2103-57-3,"2,3,4-trimethoxybenzaldehyde","2,3,4-trimethoxybenzaldehyde",COc1ccc(C=O)c(OC)c1OC,COc1ccc(C=O)c(OC)c1OC,"InChI=1/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3",C10H12O4,,,,,,UCTUXUGXIFRVGX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.616,218-277-3,2104-96-3,Bromophos,"O-(4-bromo-2,5-dichlorophenyl) O,O-dimethyl thiophosphate",COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl,COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl,"InChI=1/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3",C8H8BrCl2O3PS,,,,,,NYQDCVLCJXRDSK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.081,225-389-6,4816-23-3,5-(ethylthio)-o-anisic acid,5-(ethylsulfanyl)-2-methoxybenzoic acid,CCSc1ccc(OC)c(c1)C(=O)O,CCSc1ccc(OC)c(c1)C(=O)O,"InChI=1/C10H12O3S/c1-3-14-7-4-5-9(13-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)",C10H12O3S,,,,,,ICHLZNKXBSZZON-UHFFFAOYSA-N,,,,,,,,,,,
100.023.083,225-391-7,4816-82-4,N-tosyl-L-aspartic acid,N-[(4-methylphenyl)sulfonyl]-L-aspartic acid,Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O,Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C11H13NO6S/c1-7-2-4-8(5-3-7)19(17,18)12-9(11(15)16)6-10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)",C11H13NO6S,,,,,,SVCQSZKHLAERDL-VIFPVBQESA-N,,,,,,,,,,,
100.023.084,225-392-2,4819-67-4,2-pentylcyclopentan-1-one,2-pentylcyclopentanone,CCCCCC1CCCC1=O,CCCCCC1CCCC1=O,"InChI=1/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3",C10H18O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17753,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.084,VNWOJVJCRAHBJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.088,225-396-4,4821-19-6,"2,6-dicyclohexylphenol","2,6-dicyclohexylphenol",Oc1c(cccc1C2CCCCC2)C3CCCCC3,Oc1c(cccc1C2CCCCC2)C3CCCCC3,"InChI=1/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h7,12-15,19H,1-6,8-11H2",C18H26O,,,,,,AUEZNTKYSSUTGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.089,225-398-5,4822-44-0,2-mercaptoacetanilide,N-phenyl-2-sulfanylacetamide,SCC(=O)Nc1ccccc1,SCC(=O)Nc1ccccc1,"InChI=1/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)",C8H9NOS,,,,,,DLVKRCGYGJZXFK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.094,225-404-6,4826-87-3,"2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate","2,2-bis[(octanoyloxy)methyl]butyl octanoate (non-preferred name)",CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,"InChI=1/C30H56O6/c1-5-9-12-15-18-21-27(31)34-24-30(8-4,25-35-28(32)22-19-16-13-10-6-2)26-36-29(33)23-20-17-14-11-7-3/h5-26H2,1-4H3",C30H56O6,,,,,,HFWHTGSLDKKCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.095,225-405-1,4827-55-8,"Bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",CCCCC(CC)COC(=O)C1C(C(=O)OCC(CC)CCCC)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,CCCCC(CC)COC(=O)C1C(C(=O)OCC(CC)CCCC)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1/C25H36Cl6O4/c1-5-9-11-15(7-3)13-34-21(32)17-18(22(33)35-14-16(8-4)12-10-6-2)24(29)20(27)19(26)23(17,28)25(24,30)31/h15-18H,5-14H2,1-4H3",C25H36Cl6O4,,,,,,ONIHOIFWLALAQH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.105,225-416-1,4834-28-0,"1,1,2,3,3,5-hexamethylindan","1,1,2,3,3,5-hexamethylindane",CC1C(C)(C)c2ccc(C)cc2C1(C)C,CC1C(C)(C)c2ccc(C)cc2C1(C)C,"InChI=1/C15H22/c1-10-7-8-12-13(9-10)15(5,6)11(2)14(12,3)4/h7-9,11H,1-6H3",C15H22,,,,,,PMJHCUHTUTVMDB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.961,229-656-8,6640-27-3,2-chloro-p-cresol,2-chloro-4-methylphenol,Cc1ccc(O)c(Cl)c1,Cc1ccc(O)c(Cl)c1,"InChI=1/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3",C7H7ClO,,,,,,AQJFATAFTQCRGC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.962,229-657-3,6641-64-1,"4,5-dichloro-2-nitroaniline","4,5-dichloro-2-nitroaniline",Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-],Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-],"InChI=1/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2",C6H4Cl2N2O2,,,,,,FSGTULQLEVAYRS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.964,229-659-4,6642-29-1,"6-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione","6-nitro-1H,3H-benzo[de]isochromene-1,3-dione",[O-][N+](=O)c1ccc2C(=O)OC(=O)c3cccc1c23,[O-][N+](=O)c1ccc2C(=O)OC(=O)c3cccc1c23,InChI=1/C12H5NO5/c14-11-7-3-1-2-6-9(13(16)17)5-4-8(10(6)7)12(15)18-11/h1-5H,C12H5NO5,,,,,,LKOZHLXUWUBRDK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.968,229-664-1,6647-13-8,"4,11-diamino-2-(2-ethoxyethyl)-2,3-dihydro-3-imino-1H-naphth[2,3-f]isoindole-1,5,10-trione","4,11-diamino-2-(2-ethoxyethyl)-3-imino-2,3-dihydro-1H-naphtho[2,3-f]isoindole-1,5,10-trione",CCOCCN1C(=N)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,CCOCCN1C(=N)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C20H18N4O4/c1-2-28-8-7-24-19(23)13-14(20(24)27)16(22)12-11(15(13)21)17(25)9-5-3-4-6-10(9)18(12)26/h3-6,23H,2,7-8,21-22H2,1H3",C20H18N4O4,,,,,,WYZSBSMGZHFJJH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.974,229-670-4,6649-75-8,2-(2-iminothiazolidin-3-yl)-1-phenylethan-1-one,"2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone",N=C1SCCN1CC(=O)c2ccccc2,N=C1SCCN1CC(=O)c2ccccc2,"InChI=1/C11H12N2OS/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9/h1-5,12H,6-8H2",C11H12N2OS,,,,,,BWBNCWBMASOYQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.980,229-677-2,6652-28-4,"2-(1-methylethoxy)-1,2-diphenylethan-1-one","2-isopropoxy-1,2-diphenylethanone",CC(C)OC(C(=O)c1ccccc1)c2ccccc2,CC(C)OC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C17H18O2/c1-13(2)19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-13,17H,1-2H3",C17H18O2,,,,,,MSAHTMIQULFMRG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.983,229-680-9,6655-72-7,"2,4,5-trichlorobenzenesulphonohydrazide","2,4,5-trichlorobenzenesulfonohydrazide",NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H5Cl3N2O2S/c7-3-1-5(9)6(2-4(3)8)14(12,13)11-10/h1-2,11H,10H2",C6H5Cl3N2O2S,,,,,,PDXFRYXZDLBGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.984,229-681-4,6655-84-1,3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-(o-tolyl)naphthalene-2-carboxamide,3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-(2-methylphenyl)-2-naphthamide,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)[N+]([O-])=O)c3O,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)[N+]([O-])=O)c3O,"InChI=1/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-13-17-8-4-5-9-19(17)23(24(20)30)28-27-22-14-18(29(32)33)12-11-16(22)2/h3-14,30H,1-2H3,(H,26,31)",C25H20N4O4,,,,,,NWDMDFAMCIHORB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.808,225-089-5,1/08/4653,3-(2-thenoyl)propionic acid,4-oxo-4-(2-thienyl)butanoic acid,OC(=O)CCC(=O)c1cccs1,OC(=O)CCC(=O)c1cccs1,"InChI=1/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)",C8H8O3S,,,,,,ULJMYWHLMLRYSO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.809,225-090-0,6/11/4653,2-thiophenebutyric acid,4-(2-thienyl)butanoic acid,OC(=O)CCCc1cccs1,OC(=O)CCCc1cccs1,"InChI=1/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)",C8H10O2S,,,,,,VYTXLSQVYGNWLV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.811,225-092-1,4654-29-9,2-methylbutyl cinnamate,2-methylbutyl 3-phenylacrylate,CCC(C)COC(=O)\\C=C\\c1ccccc1,CCC(C)COC(=O)\C=C\c1ccccc1,"InChI=1/C14H18O2/c1-3-12(2)11-16-14(15)10-9-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3",C14H18O2,,,,,,SEGJDCGIQJESDC-MDZDMXLPSA-N,,,,,,,,,,,
100.022.817,225-098-4,9/12/4657,Sodium a-hydroxytoluene-a-sulphonate,sodium hydroxy(phenyl)methanesulfonate,[Na+].OC(c1ccccc1)S(=O)(=O)[O-],[Na+].OC(c1ccccc1)S(=O)(=O)[O-],"InChI=1/C7H8O4S.Na/c8-7(12(9,10)11)6-4-2-1-3-5-6;/h1-5,7-8H,(H,9,10,11);/q;+1/p-1",C7H8O4S.Na,,,,,,ZBFCSRYSLRPAOY-UHFFFAOYSA-M,,,,,,,,,,,
100.022.819,225-101-9,4658-28-0,Aziprotryne,"4-azido-N-isopropyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine",CSc1nc(NC(C)C)nc(N=[N+]=[N-])n1,CSc1nc(NC(C)C)nc(N=[N+]=[N-])n1,"InChI=1/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)",C7H11N7S,,,,,,AFIIBUOYKYSPKB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.822,225-105-0,4660-80-4,Ethyl oxirane-2-carboxylate,ethyl oxirane-2-carboxylate,CCOC(=O)C1CO1,CCOC(=O)C1CO1,"InChI=1/C5H8O3/c1-2-7-5(6)4-3-8-4/h4H,2-3H2,1H3",C5H8O3,,,,,,LSGWSXRILNPXKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.830,225-113-4,4668-38-6,Ethyl N2-[(benzyloxy)carbonyl]-L-asparaginate,ethyl N~2~-[(benzyloxy)carbonyl]-L-asparaginate,CCOC(=O)[C@H](CC(=O)N)NC(=O)OCc1ccccc1,CCOC(=O)[C@H](CC(=O)N)NC(=O)OCc1ccccc1,"InChI=1/C14H18N2O5/c1-2-20-13(18)11(8-12(15)17)16-14(19)21-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,15,17)(H,16,19)",C14H18N2O5,,,,,,QWZKOFAVRZENGY-NSHDSACASA-N,,,,,,,,,,,
100.022.834,225-118-1,4671-75-4,Tetradecylphosphonic acid,tetradecylphosphonic acid,CCCCCCCCCCCCCCP(=O)(O)O,CCCCCCCCCCCCCCP(=O)(O)O,"InChI=1/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)",C14H31O3P,,,,,,BVQJQTMSTANITJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.731,229-403-1,7/03/6513,Propyl nonan-1-oate,propyl nonanoate,CCCCCCCCC(=O)OCCC,CCCCCCCCC(=O)OCCC,"InChI=1/C12H24O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h3-11H2,1-2H3",C12H24O2,,,,,,HCMSDHYNNJTLRW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.732,229-404-7,6515-13-5,2-isopropenylpyridine,2-isopropenylpyridine,CC(=C)c1ccccn1,CC(=C)c1ccccn1,"InChI=1/C8H9N/c1-7(2)8-5-3-4-6-9-8/h3-6H,1H2,2H3",C8H9N,,,,,,MJKIORXNEJFOPX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.733,229-405-2,6515-38-4,"3,5,6-trichloro-2-pyridone","3,5,6-trichloropyridin-2-ol",Oc1nc(Cl)c(Cl)cc1Cl,Oc1nc(Cl)c(Cl)cc1Cl,"InChI=1/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)",C5H2Cl3NO,,,,,,WCYYAQFQZQEUEN-UHFFFAOYSA-N,Negative,,,,,,EA270451|EA270452|EA270453|EA270454|EA270455|EA270458|EA270459|EA270460|EA270461|EA270464,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD15|HCD30|HCD45|HCD60|CID35,195.9129:159.9366|195.9129|195.9128|195.9127|195.9123|195.913|195.9128|195.9127|195.9123|195.9129:159.9364,Eawag
100.026.737,229-409-4,6521-30-8,Isopentyl 4-hydroxybenzoate,3-methylbutyl 4-hydroxybenzoate,CC(C)CCOC(=O)c1ccc(O)cc1,CC(C)CCOC(=O)c1ccc(O)cc1,"InChI=1/C12H16O3/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3",C12H16O3,,,,,,KSHVDKDQYBNSAN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.739,229-412-0,6522-74-3,"7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2-sulphonic acid","7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",Clc4nc(Nc2cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Cl)n4,Clc4nc(Nc2cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Cl)n4,"InChI=1/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-10-5-6-11-9(7-10)8-14(36(32,33)34)15(16(11)28)27-26-12-3-1-2-4-13(12)35(29,30)31/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)",C19H12Cl2N6O7S2,,,,,,PXAHDGWGMUDBSR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.386,231-224-9,7452-59-7,Octyl chloroformate,octyl chlorocarbonate,CCCCCCCCOC(=O)Cl,CCCCCCCCOC(=O)Cl,"InChI=1/C9H17ClO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3",C9H17ClO2,,,,,,VFXVAXFIFHSGNR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.396,231-235-9,7459-46-3,"Triethyl ethane-1,1,2-tricarboxylate","triethyl ethane-1,1,2-tricarboxylate",CCOC(=O)CC(C(=O)OCC)C(=O)OCC,CCOC(=O)CC(C(=O)OCC)C(=O)OCC,"InChI=1/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H3",C11H18O6,,,,,,TVWZLLYAJDSSCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.146,227-660-4,5926-79-4,"1,3-diacetoxy-1,1,3,3-tetramethyldistannoxane","1,3-diacetoxy-1,1,3,3-tetramethyldistannoxane",CC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)C,CC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)C,"InChI=1/2C2H4O2.4CH3.O.2Sn/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);4*1H3;;;/q;;;;;;;2*+1/p-2/rC8H18O5Sn2/c1-7(9)11-14(3,4)13-15(5,6)12-8(2)10/h1-6H3",C8H18O5Sn2,,,,,,VNRQFTQKKOQJIA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.147,227-662-5,5926-90-9,[(hexyloxy)methyl]oxirane,2-[(hexyloxy)methyl]oxirane,CCCCCCOCC1CO1,CCCCCCOCC1CO1,"InChI=1/C9H18O2/c1-2-3-4-5-6-10-7-9-8-11-9/h9H,2-8H2,1H3",C9H18O2,,,,,,JPEGUDKOYOIOOP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.457,231-302-2,7488-55-3,Tin sulphate,tin(4+) disulfate,[Sn+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Sn+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2H2O4S.Sn/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/q;;+4/p-4",H2O4S.Sn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15968,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.457,FAKFSJNVVCGEEI-UHFFFAOYSA-J,,,,,,,,,,,
100.028.460,231-305-9,7490-95-1,Bisglycine hydrochloride,glycine hydrochloride,Cl.NCC(=O)O.NCC(=O)O,Cl.NCC(=O)O.NCC(=O)O,"InChI=1/2C2H5NO2.ClH/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);1H",C2H5NO2.1/2ClH,,,,,,NXWPOAQQKBBSFS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.465,231-311-1,7491-21-6,"Salicylic acid, compound with dodecylamine (1:1)",2-hydroxybenzoic acid - dodecan-1-amine (1:1),CCCCCCCCCCCCN.OC(=O)c1ccccc1O,CCCCCCCCCCCCN.OC(=O)c1ccccc1O,"InChI=1/C12H27N.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;8-6-4-2-1-3-5(6)7(9)10/h2-13H2,1H3;1-4,8H,(H,9,10)",C12H27N.C7H6O3,,,,,,BDBHIKNRLLPPCL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.471,231-317-4,7492-37-7,3-(phenylmethyl)heptan-4-one,3-benzylheptan-4-one,CCCC(=O)C(CC)Cc1ccccc1,CCCC(=O)C(CC)Cc1ccccc1,"InChI=1/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3",C14H20O,,,,,,CGTCWTIGDNJZOX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.475,231-322-1,7492-65-1,Cinnamyl phenylacetate,3-phenylprop-2-en-1-yl phenylacetate,O=C(Cc1ccccc1)OC\\C=C\\c2ccccc2,O=C(Cc1ccccc1)OC\C=C\c2ccccc2,"InChI=1/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2",C17H16O2,,,,,,SFXQCOMMEMBETJ-KPKJPENVSA-N,,,,,,,,,,,
100.028.483,231-331-0,7493-63-2,Allyl anthranilate,allyl 2-aminobenzoate,Nc1ccccc1C(=O)OCC=C,Nc1ccccc1C(=O)OCC=C,"InChI=1/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2",C10H11NO2,,,,,,UCANFCXAKYMFGA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.485,231-333-1,7493-71-2,Allyl 2-methylcrotonate,allyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCC=C,C\C=C(/C)\C(=O)OCC=C,"InChI=1/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3",C8H12O2,,,,,,ODOZNBUSHKFCSH-FNORWQNLSA-N,,,,,,,,,,,
100.028.487,231-335-2,7493-74-5,Allyl phenoxyacetate,allyl phenoxyacetate,C=CCOC(=O)COc1ccccc1,C=CCOC(=O)COc1ccccc1,"InChI=1/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2",C11H12O3,,,,,,VUFZVGQUAVDKMC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.489,231-337-3,7493-76-7,Allyl undec-10-enoate,allyl undec-10-enoate,C=CCCCCCCCCC(=O)OCC=C,C=CCCCCCCCCC(=O)OCC=C,"InChI=1/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2",C14H24O2,,,,,,VJOZUTGJXVDWDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.493,231-342-0,7493-82-5,Pentyl heptanoate,pentyl heptanoate,CCCCCCC(=O)OCCCCC,CCCCCCC(=O)OCCCCC,"InChI=1/C12H24O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h3-11H2,1-2H3",C12H24O2,,,,,,PSQMUBJRXIGVIT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.494,231-343-6,7493-95-0,p-nitrophenyl a-D-galactopyranoside,4-nitrophenyl alpha-D-galactopyranoside,OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,IFBHRQDFSNCLOZ-IIRVCBMXSA-N,,,,,,,,,,,
100.028.495,231-344-1,7495-75-2,Sodium butyldithiocarbamate,sodium butyldithiocarbamate,[Na+].CCCCNC(=S)[S-],[Na+].CCCCNC(=S)[S-],"InChI=1/C5H11NS2.Na/c1-2-3-4-6-5(7)8;/h2-4H2,1H3,(H2,6,7,8);/q;+1/p-1",C5H11NS2.Na,,,,,,DVAUUBZODGVYMT-UHFFFAOYSA-M,,,,,,,,,,,
100.028.496,231-345-7,7495-76-3,Sodium 2-ethylhexyldithiocarbamate,sodium (2-ethylhexyl)dithiocarbamate,[Na+].CCCCC(CC)CNC(=S)[S-],[Na+].CCCCC(CC)CNC(=S)[S-],"InChI=1/C9H19NS2.Na/c1-3-5-6-8(4-2)7-10-9(11)12;/h8H,3-7H2,1-2H3,(H2,10,11,12);/q;+1/p-1",C9H19NS2.Na,,,,,,DANVAOQFLDKILA-UHFFFAOYSA-M,,,,,,,,,,,
100.028.497,231-346-2,7495-77-4,p-isopropoxyphenol,4-isopropoxyphenol,CC(C)Oc1ccc(O)cc1,CC(C)Oc1ccc(O)cc1,"InChI=1/C9H12O2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,10H,1-2H3",C9H12O2,,,,,,QEYQMWSESURNPP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.239,227-762-9,5972-71-4,Ammonium hydrogen malate,ammonium hydrogen malate,[NH4+].OC(CC(=O)[O-])C(=O)[O-],[NH4+].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.H3N/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);1H3/p-1",C4H6O5.H3N,,,,,,RMIOHTPMSWCRSO-UHFFFAOYSA-M,,,,,,,,,,,
100.025.240,227-763-4,5972-72-5,Ammonium hydrogen oxalate,ammonium hydrogen oxalate,[NH4+].[O-]C(=O)C(=O)[O-],[NH4+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.H3N/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H3/p-1",C2H2O4.H3N,,,,,,AJGPQPPJQDDCDA-UHFFFAOYSA-M,,,,,,,,,,,
100.025.245,227-769-7,5973-17-1,Ammonium phenolate,ammonium phenolate,[NH4+].[O-]c1ccccc1,[NH4+].[O-]c1ccccc1,"InChI=1/C6H6O.H3N/c7-6-4-2-1-3-5-6;/h1-5,7H;1H3",C6H6O.H3N,,,,,,XABJJJZIQNZSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.247,227-771-8,4/09/5974,Vetrabutine hydrochloride,"1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenylbutan-1-amine hydrochloride",Cl.COc1ccc(cc1OC)C(CCCc2ccccc2)N(C)C,Cl.COc1ccc(cc1OC)C(CCCc2ccccc2)N(C)C,"InChI=1/C20H27NO2.ClH/c1-21(2)18(12-8-11-16-9-6-5-7-10-16)17-13-14-19(22-3)20(15-17)23-4;/h5-7,9-10,13-15,18H,8,11-12H2,1-4H3;1H",C20H27NO2.ClH,,,,,,SRKJRPFCSZFVAE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.617,218-278-9,2105-43-3,N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]but-1-en-1-yl]formamide monohydrochloride,N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-{4-hydroxy-1-methyl-2-[(tetrahydrofuran-2-ylmethyl)disulfanyl]but-1-en-1-yl}formamide hydrochloride,Cl.Cc2ncc(CN(C=O)C(C)=C(SSCC1CCCO1)CCO)c(N)n2,Cl.Cc2ncc(CN(C=O)C(C)=C(SSCC1CCCO1)CCO)c(N)n2,"InChI=1/C17H26N4O3S2.ClH/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18;/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20);1H",C17H26N4O3S2.ClH,,,,,,OPGOLNDOMSBSCW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.297,216-826-1,1676-73-9,Benzyl hydrogen <U+03B3>-L-glutamate,2-amino-5-(benzyloxy)-5-oxopentanoic acid (non-preferred name),OC(=O)[C@@H](N)CCC(=O)OCc1ccccc1,OC(=O)[C@@H](N)CCC(=O)OCc1ccccc1,"InChI=1/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)",C12H15NO4,,,,,,BGGHCRNCRWQABU-JTQLQIEISA-N,,,,,,,,,,,
100.015.306,216-836-6,1678-92-8,Propylcyclohexane,propylcyclohexane,CCCC1CCCCC1,CCCC1CCCCC1,"InChI=1/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3",C9H18,,,,,,DEDZSLCZHWTGOR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.313,216-843-4,1679-09-0,2-methylbutane-2-thiol,2-methylbutane-2-thiol,CCC(C)(C)S,CCC(C)(C)S,"InChI=1/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3",C5H12S,,,,,,IQIBYAHJXQVQGB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.314,216-845-5,1679-18-1,(p-chlorophenyl)metaboric acid,(4-chlorophenyl)boronic acid,OB(O)c1ccc(Cl)cc1,OB(O)c1ccc(Cl)cc1,"InChI=1/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H",C6H6BClO2,,,,,,CAYQIZIAYYNFCS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.317,216-848-1,1679-53-4,10-hydroxydecanoic acid,10-hydroxydecanoic acid,OCCCCCCCCCC(=O)O,OCCCCCCCCCC(=O)O,"InChI=1/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)",C10H20O3,,,,,,YJCJVMMDTBEITC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.326,216-858-6,1681-24-9,Dibromoacetyl bromide,dibromoacetyl bromide,BrC(Br)C(=O)Br,BrC(Br)C(=O)Br,InChI=1/C2HBr3O/c3-1(4)2(5)6/h1H,C2HBr3O,,,,,,SCQYFFYVHXLAQV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.332,216-864-9,1683-86-9,2-amino-5-fluoro-1H-pyrimidin-4-one,2-amino-5-fluoropyrimidin-4(1H)-one,NC1=NC(=O)C(=CN1)F,NC1=NC(=O)C(=CN1)F,"InChI=1/C4H4FN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9)",C4H4FN3O,,,,,,NECBMBRAYJLMMF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.333,216-865-4,1684-14-6,"2,3-diphenylquinoxaline","2,3-diphenylquinoxaline",c1ccc(cc1)c2nc3ccccc3nc2c4ccccc4,c1ccc(cc1)c2nc3ccccc3nc2c4ccccc4,InChI=1/C20H14N2/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-14H,C20H14N2,,,,,,RSNQVABHABAKEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.335,216-868-0,1684-42-0,1-[(6-chloro-2-methoxyacridin-9-yl)amino]-3-(diethylamino)propan-2-ol dihydrochloride,1-[(6-chloro-2-methoxyacridin-9-yl)amino]-3-(diethylamino)propan-2-ol dihydrochloride,Cl.Cl.CCN(CC)CC(O)CNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,Cl.Cl.CCN(CC)CC(O)CNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,"InChI=1/C21H26ClN3O2.2ClH/c1-4-25(5-2)13-15(26)12-23-21-17-8-6-14(22)10-20(17)24-19-9-7-16(27-3)11-18(19)21;;/h6-11,15,26H,4-5,12-13H2,1-3H3,(H,23,24);2*1H",C21H26ClN3O2.2ClH,,,,,,WICHWAQPBSHNKF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.212,217-832-7,1976-28-9,Aluminium trinicotinate,aluminum trinicotinate,[Al+3].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2.[O-]C(=O)c3cccnc3,[Al+3].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2.[O-]C(=O)c3cccnc3,"InChI=1/3C6H5NO2.Al/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3",C6H5NO2.1/3Al,,,,,,NSFYKDVWNTWJOK-UHFFFAOYSA-K,,,,,,,,,,,
100.016.214,217-834-8,1977-00-0,Sodium 2-[[3-(trifluoromethyl)phenyl]amino]benzoate,sodium 2-{[3-(trifluoromethyl)phenyl]amino}benzoate,[Na+].[O-]C(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,[Na+].[O-]C(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,"InChI=1/C14H10F3NO2.Na/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;/h1-8,18H,(H,19,20);/q;+1/p-1",C14H10F3NO2.Na,,,,,,PBUGSBBHKCUSBT-UHFFFAOYSA-M,,,,,,,,,,,
100.016.218,217-839-5,1979-98-2,"2-methylthiopyrimidine-4,6-diol","2-(methylsulfanyl)pyrimidine-4,6-diol",CSc1nc(O)cc(O)n1,CSc1nc(O)cc(O)n1,"InChI=1/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)",C5H6N2O2S,,,,,,AEXCUJUYEZIWJV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.221,217-842-1,1982-42-9,"2-(2,4-dichlorophenoxy)acetamide","2-(2,4-dichlorophenoxy)acetamide",NC(=O)COc1ccc(Cl)cc1Cl,NC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H7Cl2NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H2,11,12)",C8H7Cl2NO2,,,,,,VGVRFARTWVJNQC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.224,217-845-8,1982-67-8,2-amino-4-(S-methylsulphonimidoyl)butyric acid,2-amino-4-(S-methylsulfonimidoyl)butanoic acid,CS(=N)(=O)CCC(N)C(=O)O,CS(=N)(=O)CCC(N)C(=O)O,"InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)",C5H12N2O3S,,,,,,SXTAYKAGBXMACB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.226,217-847-9,4/10/1983,Tributyltin fluoride,tributylstannanylium fluoride,[F-].CCCC[Sn+](CCCC)CCCC,[F-].CCCC[Sn+](CCCC)CCCC,"InChI=1/3C4H9.FH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC12H27Sn.FH/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1",C12H27FSn,,,,,,DFNPRTKVCGZMMC-UHFFFAOYSA-M,,,,,,,,,,,
100.026.994,229-692-4,6657-37-0,Methyl N-[4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-ß-alaninate,methyl N-{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}-N-(2-cyanoethyl)-beta-alaninate,Clc2cc(ccc2N=Nc1ccc(cc1)N(CCC(=O)OC)CCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CCC(=O)OC)CCC#N)[N+]([O-])=O,"InChI=1/C19H18ClN5O4/c1-29-19(26)9-12-24(11-2-10-21)15-5-3-14(4-6-15)22-23-18-8-7-16(25(27)28)13-17(18)20/h3-8,13H,2,9,11-12H2,1H3",C19H18ClN5O4,,,,,,BMUXKUVOASOJKR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.995,229-694-5,6657-40-5,"2-[p-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethylanilino]ethanol","2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethanol",CCN(CCO)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],CCN(CCO)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],"InChI=1/C16H16Cl2N4O3/c1-2-21(7-8-23)12-5-3-11(4-6-12)19-20-16-14(17)9-13(22(24)25)10-15(16)18/h3-6,9-10,23H,2,7-8H2,1H3",C16H16Cl2N4O3,,,,,,IZKMDTFNKCYTOU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.999,229-698-7,6659-62-7,"2,3-epoxypropyl nitrate",oxiran-2-ylmethyl nitrate,[O-][N+](=O)OCC1CO1,[O-][N+](=O)OCC1CO1,"InChI=1/C3H5NO4/c5-4(6)8-2-3-1-7-3/h3H,1-2H2",C3H5NO4,,,,,,ADZAAKGRMMGJKM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.627,231-489-0,7583-60-0,2-piperidinocyclohexan-1-one hydrochloride,2-piperidin-1-ylcyclohexanone hydrochloride,Cl.O=C1CCCCC1N2CCCCC2,Cl.O=C1CCCCC1N2CCCCC2,"InChI=1/C11H19NO.ClH/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12;/h10H,1-9H2;1H",C11H19NO.ClH,,,,,,UHXUDNGJIZOHID-UHFFFAOYSA-N,,,,,,,,,,,
100.026.536,229-190-5,6424-85-7,"Sodium 4-(4-acetamidophenyl-1-amino)-1-amino-9,10-dioxoanthracene-2-sulphonate","sodium 4-[(4-acetamidophenyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1,CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1,"InChI=1/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1/rC22H16N3NaO6S/c1-11(27)24-12-6-8-13(9-7-12)25-16-10-17(33(30,31)32-26)20(23)19-18(16)21(28)14-4-2-3-5-15(14)22(19)29/h2-10,25H,23H2,1H3,(H,24,27)",C22H17N3O6S.Na,,,,,,NTOOJLUHUFUGQI-UHFFFAOYSA-M,,,,,,,,,,,
100.026.539,229-193-1,6425-32-7,"3-morpholinopropane-1,2-diol","3-morpholin-4-ylpropane-1,2-diol",OCC(O)CN1CCOCC1,OCC(O)CN1CCOCC1,"InChI=1/C7H15NO3/c9-6-7(10)5-8-1-3-11-4-2-8/h7,9-10H,1-6H2",C7H15NO3,,,,,,VZBNUEHCOOXOHR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.542,229-196-8,6426-39-7,Titanium cyclohexan-1-olate (1:4),titanium cyclohexan-1-olate (1:4),[Ti].[O-]C1CCCCC1.[O-]C2CCCCC2.[O-]C3CCCCC3.[O-]C4CCCCC4,[Ti].[O-]C1CCCCC1.[O-]C2CCCCC2.[O-]C3CCCCC3.[O-]C4CCCCC4,"InChI=1/4C6H11O.Ti/c4*7-6-4-2-1-3-5-6;/h4*6H,1-5H2;/q4*-1;+2",C6H12O.1/4Ti,,,,,,IYLPEEFRWKBQKM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.543,229-197-3,6427-21-0,Methoxymethyl isocyanate,isocyanato(methoxy)methane,COCN=C=O,COCN=C=O,"InChI=1/C3H5NO2/c1-6-3-4-2-5/h3H2,1H3",C3H5NO2,,,,,,HTVHSOYSKFBUGY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.544,229-198-9,6427-66-3,4-azidobenzoic acid,4-azidobenzoic acid,OC(=O)c1ccc(cc1)N=[N+]=[N-],OC(=O)c1ccc(cc1)N=[N+]=[N-],"InChI=1/C7H5N3O2/c8-10-9-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)",C7H5N3O2,,,,,,PQXPAFTXDVNANI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.553,229-208-1,6428-31-5,"Disodium 4-amino-3,6-bis[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-amino-3,6-bis({4-[(2,4-diaminophenyl)diazenyl]phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc4ccc(N=Nc3ccc(N)cc3N)cc4)c5O)S([O-])(=O)=O)c(N)c6,[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc4ccc(N=Nc3ccc(N)cc3N)cc4)c5O)S([O-])(=O)=O)c(N)c6,"InChI=1/C34H29N13O7S2.2Na/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38;;/h1-16,48H,35-39H2,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2",C34H29N13O7S2.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11334,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.553,UZZFFIUHUDOYPS-UHFFFAOYSA-L,,,,,,,,,,,
100.026.557,229-212-3,6428-81-5,"Disodium 4,4'-bis[(2-hydroxy-1-naphthyl)azo]-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-disulphonate","disodium 4,4'-bis[(2-hydroxy-1-naphthyl)diazenyl]-5,5'-dimethoxybiphenyl-2,2'-disulfonate",[Na+].[Na+].COc3cc(c(cc3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O)c6cc(OC)c(N=Nc4c5ccccc5ccc4O)cc6S([O-])(=O)=O,[Na+].[Na+].COc3cc(c(cc3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O)c6cc(OC)c(N=Nc4c5ccccc5ccc4O)cc6S([O-])(=O)=O,"InChI=1/C34H26N4O10S2.2Na/c1-47-29-15-23(31(49(41,42)43)17-25(29)35-37-33-21-9-5-3-7-19(21)11-13-27(33)39)24-16-30(48-2)26(18-32(24)50(44,45)46)36-38-34-22-10-6-4-8-20(22)12-14-28(34)40;;/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H26N4O10S2.2Na,,,,,,MAGDVEUMSQOTTO-UHFFFAOYSA-L,,,,,,,,,,,
100.026.559,229-214-4,6434-57-7,1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthol,1-[(2-hydroxy-4-nitrophenyl)diazenyl]-2-naphthol,Oc3cc(ccc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O,Oc3cc(ccc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O,"InChI=1/C16H11N3O4/c20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21/h1-9,20-21H",C16H11N3O4,,,,,,YEGLPRUOBWQNHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.560,229-216-5,6434-78-2,(E)-non-2-ene,non-2-ene,CCCCCC\\C=C\\C,CCCCCC\C=C\C,"InChI=1/C9H18/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-9H2,1-2H3",C9H18,,,,,,IICQZTQZQSBHBY-HWKANZROSA-N,,,,,,,,,,,
100.025.150,227-665-1,5928-63-2,"(E)-(±)-2-hydroxy-1,2-diphenylethan-1-one oxime","2-hydroxy-1,2-diphenylethanone oxime",ON=C(C(O)c1ccccc1)c2ccccc2,ON=C(C(O)c1ccccc1)c2ccccc2,"InChI=1/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H",C14H13NO2,,,,,,WAKHLWOJMHVUJC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.154,227-669-3,5929-71-5,Allyltriacetoxysilane,allylsilanetriyl triacetate,CC(=O)O[Si](CC=C)(OC(=O)C)OC(=O)C,CC(=O)O[Si](CC=C)(OC(=O)C)OC(=O)C,"InChI=1/C9H14O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5H,1,6H2,2-4H3",C9H14O6Si,,,,,,XRLWQTOZMISADO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.157,227-673-5,5930-71-2,Tetramethyl thioperoxydiphosphate,-,COP(=S)(OC)SSP(=S)(OC)OC,COP(=S)(OC)SSP(=S)(OC)OC,"InChI=1/C4H12O4P2S4/c1-5-9(11,6-2)13-14-10(12,7-3)8-4/h1-4H3",C4H12O4P2S4,,,,,,HUTQNWSTEVZUML-UHFFFAOYSA-N,,,,,,,,,,,
100.025.162,227-678-2,5932-68-3,(E)-2-methoxy-4-(prop-1-enyl)phenol,2-methoxy-4-prop-1-en-1-ylphenol,COc1cc(\\C=C\\C)ccc1O,COc1cc(\C=C\C)ccc1O,"InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3",C10H12O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18867,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.162,BJIOGJUNALELMI-ONEGZZNKSA-N,,,,,,,,,,,
100.025.164,227-680-3,5933-30-2,6-methylpyridine-2-thioamide,6-methylpyridine-2-carbothioamide,Cc1cccc(n1)C(=S)N,Cc1cccc(n1)C(=S)N,"InChI=1/C7H8N2S/c1-5-3-2-4-6(9-5)7(8)10/h2-4H,1H3,(H2,8,10)",C7H8N2S,,,,,,USBNVICEAWQVGN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.166,227-682-4,5933-87-9,Pentyl decanoate,pentyl decanoate,CCCCCCCCCC(=O)OCCCCC,CCCCCCCCCC(=O)OCCCCC,"InChI=1/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3",C15H30O2,,,,,,BGYFCELTJPRWBA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.170,227-687-1,5934-55-4,12-methoxyibogamine monohydrochloride,12-methoxyibogamine hydrochloride,Cl.CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CCc4c3[nH]c5ccc(OC)cc45)C2,Cl.CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CCc4c3[nH]c5ccc(OC)cc45)C2,"InChI=1/C20H26N2O.ClH/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19;/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3;1H",C20H26N2O.ClH,,,,,,IKJFDJLQPHDRTD-ISYVNWANSA-N,,,,,,,,,,,
100.025.172,227-689-2,5935-25-1,"2-vinyl-1,3-dioxane","2-vinyl-1,3-dioxane",C=CC1OCCCO1,C=CC1OCCCO1,"InChI=1/C6H10O2/c1-2-6-7-4-3-5-8-6/h2,6H,1,3-5H2",C6H10O2,,,,,,MBUIVAAHRBEDCW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.178,227-696-0,5938-84-1,Disodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-({2-methyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc4ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)c3cccc(N)c3)S([O-])(=O)=O)c(C)c4)c(C)c5,[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc4ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)c3cccc(N)c3)S([O-])(=O)=O)c(C)c4)c(C)c5,"InChI=1/C31H26N6O8S2.2Na/c1-17-12-23(34-35-27-11-8-24(13-18(27)2)46(40,41)42)7-10-26(17)36-37-29-28(47(43,44)45)16-20-15-22(6-9-25(20)30(29)38)33-31(39)19-4-3-5-21(32)14-19;;/h3-16,38H,32H2,1-2H3,(H,33,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C31H26N6O8S2.2Na,,,,,,CULQWZFBJPNGAO-UHFFFAOYSA-L,,,,,,,,,,,
100.025.179,227-697-6,5938-85-2,Disodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccc(N)cc5)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccc(N)cc5)S([O-])(=O)=O,"InChI=1/C29H22N6O8S2.2Na/c30-19-3-1-17(2-4-19)29(37)31-23-11-14-25-18(15-23)16-26(45(41,42)43)27(28(25)36)35-34-21-7-5-20(6-8-21)32-33-22-9-12-24(13-10-22)44(38,39)40;;/h1-16,36H,30H2,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C29H22N6O8S2.2Na,,,,,,QKXHVVHWIWQWCB-UHFFFAOYSA-L,,,,,,,,,,,
100.025.181,227-699-7,5941-92-4,"(±)-13-ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-one","13-ethyl-3-methoxy-6,7,11,12,13,14,15,16-octahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)",CCC12CCC3=C(CCc4cc(OC)ccc34)C1CCC2=O,CCC12CCC3=C(CCc4cc(OC)ccc34)C1CCC2=O,"InChI=1/C20H24O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,18H,3-4,6,8-11H2,1-2H3",C20H24O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16675,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.181,PFKPABPFEUSONI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.185,227-703-7,5943-34-0,Diisopropyl trisulphide,diisopropyltrisulfane,CC(C)SSSC(C)C,CC(C)SSSC(C)C,"InChI=1/C6H14S3/c1-5(2)7-9-8-6(3)4/h5-6H,1-4H3",C6H14S3,,,,,,WUZSBMCRYUJOEU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.187,227-705-8,5947-36-4,"6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol","6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol",CC1(C)C2CC(O)C(=C)C1C2,CC1(C)C2CC(O)C(=C)C1C2,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3",C10H16O,,,,,,LCYXQUJDODZYIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.765,227-241-6,5732-87-6,Cyclopentaneacetonitrile,cyclopentylacetonitrile,N#CCC1CCCC1,N#CCC1CCCC1,"InChI=1/C7H11N/c8-6-5-7-3-1-2-4-7/h7H,1-5H2",C7H11N,,,,,,BKMDIBDWHXWKSV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.771,227-247-9,5736-88-9,p-butoxybenzaldehyde,4-butoxybenzaldehyde,CCCCOc1ccc(C=O)cc1,CCCCOc1ccc(C=O)cc1,"InChI=1/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3",C11H14O2,,,,,,XHWMNHADTZZHGI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.248,227-772-3,5974-19-6,"Benzyl[4-[bis[p-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]methylammonium chloride","N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylphenylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)Cc3ccccc3)C=C2)c4ccc(cc4)N(C)C,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)Cc3ccccc3)C=C2)c4ccc(cc4)N(C)C,"InChI=1/C31H34N3.ClH/c1-32(2)28-17-11-25(12-18-28)31(26-13-19-29(20-14-26)33(3)4)27-15-21-30(22-16-27)34(5)23-24-9-7-6-8-10-24;/h6-22H,23H2,1-5H3;1H/q+1;/p-1",C31H34N3.Cl,,,,,,ZMJPCIAEJKVKMQ-UHFFFAOYSA-M,,,,,,,,,,,
100.026.880,229-567-4,6620-60-6,Proglumide,"N~2~-benzoyl-N,N-dipropyl-alpha-glutamine",CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,"InChI=1/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)",C18H26N2O4,,,,,,DGMKFQYCZXERLX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.883,229-571-6,6621-75-6,"2,4-dimethylthiosemicarbazide","N,1-dimethylhydrazinecarbothioamide",CNC(=S)N(C)N,CNC(=S)N(C)N,"InChI=1/C3H9N3S/c1-5-3(7)6(2)4/h4H2,1-2H3,(H,5,7)",C3H9N3S,,,,,,YEHMHSRNWIBAEL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.884,229-572-1,6622-55-5,2-[(phenylmethyl)amino]benzoic acid,2-(benzylamino)benzoic acid,OC(=O)c1ccccc1NCc2ccccc2,OC(=O)c1ccccc1NCc2ccccc2,"InChI=1/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)",C14H13NO2,,,,,,JGQKORRBYIBYOF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.886,229-574-2,6622-75-9,10-propionylphenothiazine,10-propionyl-10H-phenothiazine,CCC(=O)N1c2ccccc2Sc3ccccc13,CCC(=O)N1c2ccccc2Sc3ccccc13,"InChI=1/C15H13NOS/c1-2-15(17)16-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3",C15H13NOS,,,,,,NCDUBBOHHQXHIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.891,229-580-5,6623-81-0,5-methoxyuracil,"5-methoxypyrimidine-2,4(1H,3H)-dione",COC1=CNC(=O)NC1=O,COC1=CNC(=O)NC1=O,"InChI=1/C5H6N2O3/c1-10-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",C5H6N2O3,,,,,,KELXHQACBIUYSE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.896,229-585-2,6625-74-7,Pivalanilide,"2,2-dimethyl-N-phenylpropanamide",CC(C)(C)C(=O)Nc1ccccc1,CC(C)(C)C(=O)Nc1ccccc1,"InChI=1/C11H15NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)",C11H15NO,,,,,,LWJNWXYSLBGWDU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.900,229-589-4,6626-83-1,"1,4-bis(1-oxododecyl)piperazine","1,4-didodecanoylpiperazine",CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCCCCCCCCCC,"InChI=1/C28H54N2O2/c1-3-5-7-9-11-13-15-17-19-21-27(31)29-23-25-30(26-24-29)28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C28H54N2O2,,,,,,IGWXRAMPNLUISR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.903,229-593-6,6627-40-3,"4',5'-dibromo-3',6'-dihydroxy-2',7'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","4',5'-dibromo-3',6'-dihydroxy-2',7'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Cc1cc2c(Oc3c(Br)c(O)c(C)cc3C24OC(=O)c5ccccc45)c(Br)c1O,Cc1cc2c(Oc3c(Br)c(O)c(C)cc3C24OC(=O)c5ccccc45)c(Br)c1O,"InChI=1/C22H14Br2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3",C22H14Br2O5,,,,,,KCHVZEAMZOXQJI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.913,229-603-9,6628-00-8,N-allylcyclohexylamine,N-allylcyclohexanamine,C=CCNC1CCCCC1,C=CCNC1CCCCC1,"InChI=1/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2",C9H17N,,,,,,SQGBZKZDUMBTIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.914,229-604-4,2/04/6628,4-amino-2-methylquinoline,2-methylquinolin-4-amine,Cc1cc(N)c2ccccc2n1,Cc1cc(N)c2ccccc2n1,"InChI=1/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)",C10H10N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16450,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.914,COCFIBRMFPWUDW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.917,229-608-6,6628-22-4,"3,4-dimethyl-5-pyrazolone","4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one",O=C1NNC(/C)=C1/C,O=C1NNC(/C)=C1/C,"InChI=1/C5H8N2O/c1-3-4(2)6-7-5(3)8/h1-2H3,(H2,6,7,8)",C5H8N2O,,,,,,CMTNHTJUNZPFMW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.921,229-612-8,6628-77-9,6-methoxy-3-pyridylamine,6-methoxypyridin-3-amine,COc1ccc(N)cn1,COc1ccc(N)cn1,"InChI=1/C6H8N2O/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3",C6H8N2O,,,,,,UUVDJIWRSIJEBS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.925,229-617-5,3/10/6629,"2',(2')'-dibenzylideneoxalohydrazide","N'~1~,N'~2~-dibenzylideneethanedihydrazide",O=C(NN=Cc1ccccc1)C(=O)NN=Cc2ccccc2,O=C(NN=Cc1ccccc1)C(=O)NN=Cc2ccccc2,"InChI=1/C16H14N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)",C16H14N4O2,,,,,,GTIBACHAUHDNPH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.926,229-618-0,6629-60-3,Ethylhydrazinediylium oxalate,ethyldiazanediium oxalate,CC[NH2+][NH3+].[O-]C(=O)C(=O)[O-],CC[NH2+][NH3+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H10N2.C2H2O4/c1-2-4-3;3-1(4)2(5)6/h2,4H2,1,3H3;(H,3,4)(H,5,6)/q+2;/p-2",C2H8N2.C2H2O4,,,,,,KTQFMAUECVPSNS-UHFFFAOYSA-L,,,,,,,,,,,
100.026.929,229-621-7,6630-20-2,"1,2-bis(6-methyl-2-pyridyl)ethanediol","1,2-bis(6-methylpyridin-2-yl)ethane-1,2-diol",Cc1cccc(n1)C(O)C(O)c2cccc(C)n2,Cc1cccc(n1)C(O)C(O)c2cccc(C)n2,"InChI=1/C14H16N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,13-14,17-18H,1-2H3",C14H16N2O2,,,,,,BQACYHPDFUQUCV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.227,217-848-4,1983-26-2,(chloromethyl)phosphonic dichloride,(chloromethyl)phosphonic dichloride,ClCP(=O)(Cl)Cl,ClCP(=O)(Cl)Cl,"InChI=1/CH2Cl3OP/c2-1-6(3,4)5/h1H2",CH2Cl3OP,,,,,,FZXSSJIKXCFPDP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.228,217-850-5,1/06/1984,Sodium octanoate,sodium octanoate,[Na+].CCCCCCCC(=O)[O-],[Na+].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",C8H16O2.Na,,,,,,BYKRNSHANADUFY-UHFFFAOYSA-M,,,,,,,,,,,
100.016.233,217-855-2,1984-65-2,"2,6-dichloroanisole","1,3-dichloro-2-methoxybenzene",COc1c(Cl)cccc1Cl,COc1c(Cl)cccc1Cl,"InChI=1/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3",C7H6Cl2O,,,,,,KZLMCDNAVVJKPX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.234,217-856-8,1985-51-9,"2,2-dimethyl-1,3-propanediyl bismethacrylate","2,2-dimethylpropane-1,3-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C,CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C,"InChI=1/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3",C13H20O4,,,,,,ULQMPOIOSDXIGC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.237,217-859-4,1986-81-8,Nicotinamide N-oxide,pyridine-3-carboximidic acid 1-oxide,[O-][n+]1cccc(c1)C(O)=N,[O-][n+]1cccc(c1)C(O)=N,"InChI=1/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)",C6H6N2O2,,,,,,USSFUVKEHXDAPM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.240,217-863-6,1988-18-7,2-naphthyl formate,2-naphthyl formate,O=COc1ccc2ccccc2c1,O=COc1ccc2ccccc2c1,InChI=1/C11H8O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,C11H8O2,,,,,,ZSFLPNDWUWXOGM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.245,217-868-3,1989-53-3,"2,6-dimethoxybenzoyl chloride","2,6-dimethoxybenzoyl chloride",COc1cccc(OC)c1C(=O)Cl,COc1cccc(OC)c1C(=O)Cl,"InChI=1/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3",C9H9ClO3,,,,,,NDXRPDJVAUCBOH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.248,217-872-5,1990-90-5,3-methylpyridin-4-amine,3-methylpyridin-4-amine,Cc1cnccc1N,Cc1cnccc1N,"InChI=1/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)",C6H8N2,,,,,,VGJLGPCXUGIXRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.249,217-873-0,1991-52-2,"2,5-di-tert-butyl-4-methoxyphenol","2,5-di-tert-butyl-4-methoxyphenol",COc1cc(c(O)cc1C(C)(C)C)C(C)(C)C,COc1cc(c(O)cc1C(C)(C)C)C(C)(C)C,"InChI=1/C15H24O2/c1-14(2,3)10-9-13(17-7)11(8-12(10)16)15(4,5)6/h8-9,16H,1-7H3",C15H24O2,,,,,,FLLRQABPKFCXSO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.750,219-524-8,2454-35-5,m-acetylphenyl acetate,3-acetylphenyl acetate,CC(=O)Oc1cccc(c1)C(=O)C,CC(=O)Oc1cccc(c1)C(=O)C,"InChI=1/C10H10O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-6H,1-2H3",C10H10O3,,,,,,OTHYPAMNTUGKDK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.754,219-529-5,2455-24-5,Tetrahydrofurfuryl methacrylate,tetrahydrofuran-2-ylmethyl methacrylate,CC(=C)C(=O)OCC1CCCO1,CC(=C)C(=O)OCC1CCCO1,"InChI=1/C9H14O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h8H,1,3-6H2,2H3",C9H14O3,,,,,,LCXXNKZQVOXMEH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.756,219-531-6,2455-84-7,Ambenoxan,"N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine",COCCOCCNCC1COc2ccccc2O1,COCCOCCNCC1COc2ccccc2O1,"InChI=1/C14H21NO4/c1-16-8-9-17-7-6-15-10-12-11-18-13-4-2-3-5-14(13)19-12/h2-5,12,15H,6-11H2,1H3",C14H21NO4,,,,,,IRDXKUVPWPVZMA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.759,219-534-2,2456-81-7,4-(pyrrolidin-1-yl)pyridine,4-pyrrolidin-1-ylpyridine,C1CCN(C1)c2ccncc2,C1CCN(C1)c2ccncc2,"InChI=1/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2",C9H12N2,,,,,,RGUKYNXWOWSRET-UHFFFAOYSA-N,,,,,,,,,,,
100.019.576,221-533-7,3135-54-4,"6,11-dihydro-6,11-dioxo-N-phenylbenzo[f]pyrido[1,2-a]indole-12-carboxamide","6,11-dioxo-N-phenyl-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxamide",O=C(Nc1ccccc1)c2c3C(=O)c4ccccc4C(=O)c3n5ccccc25,O=C(Nc1ccccc1)c2c3C(=O)c4ccccc4C(=O)c3n5ccccc25,"InChI=1/C23H14N2O3/c26-21-15-10-4-5-11-16(15)22(27)20-19(21)18(17-12-6-7-13-25(17)20)23(28)24-14-8-2-1-3-9-14/h1-13H,(H,24,28)",C23H14N2O3,,,,,,UQCAZSLFSDIWBA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.578,221-535-8,3137-73-3,6-a-methyl-20-oxopregn-4-en-17-a-yl acetate,6-methyl-20-oxopregn-4-en-17-yl acetate,C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]3(OC(=O)C)C(=O)C)[C@@]4(C)CCCC=C14,C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]3(OC(=O)C)C(=O)C)[C@@]4(C)CCCC=C14,"InChI=1/C24H36O3/c1-15-14-18-20(22(4)11-7-6-8-19(15)22)9-12-23(5)21(18)10-13-24(23,16(2)25)27-17(3)26/h8,15,18,20-21H,6-7,9-14H2,1-5H3",C24H36O3,,,,,,KDLNOQQQEBKBQM-ZCPNKVFMSA-N,,,,,,,,,,,
100.019.583,221-541-0,3140-73-6,"2-chloro-4,6-dimethoxy-1,3,5-triazine","2-chloro-4,6-dimethoxy-1,3,5-triazine",COc1nc(Cl)nc(OC)n1,COc1nc(Cl)nc(OC)n1,InChI=1/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,C5H6ClN3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10530,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.583,GPIQOFWTZXXOOV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.586,221-544-7,3141-24-0,"2,3,5-tribromothiophene","2,3,5-tribromothiophene",Brc1cc(Br)c(Br)s1,Brc1cc(Br)c(Br)s1,InChI=1/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H,C4HBr3S,,,,,,SKDNDSLDRLEELJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.565,229-221-2,8/06/6440,"1H-1,2,3-triazole-4-thiol","1H-1,2,3-triazole-4-thiol",Sc1c[nH]nn1,Sc1c[nH]nn1,"InChI=1/C2H3N3S/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",C2H3N3S,,,,,,LLCOQBODWBFTDD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.633,231-495-3,7587-15-7,"2,5-dichloro-4-iodophenol","2,5-dichloro-4-iodophenol",Oc1cc(Cl)c(I)cc1Cl,Oc1cc(Cl)c(I)cc1Cl,"InChI=1/C6H3Cl2IO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H",C6H3Cl2IO,,,,,,IAGXZGAELVSNRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.634,231-496-9,7588-27-4,4-chloro-N-dodecyl-1-hydroxynaphthalene-2-carboxamide,4-chloro-N-dodecyl-1-hydroxy-2-naphthamide,CCCCCCCCCCCCNC(=O)c1cc(Cl)c2ccccc2c1O,CCCCCCCCCCCCNC(=O)c1cc(Cl)c2ccccc2c1O,"InChI=1/C23H32ClNO2/c1-2-3-4-5-6-7-8-9-10-13-16-25-23(27)20-17-21(24)18-14-11-12-15-19(18)22(20)26/h11-12,14-15,17,26H,2-10,13,16H2,1H3,(H,25,27)",C23H32ClNO2,,,,,,VWWDUUNNMSGWHY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.636,231-499-5,7589-27-7,4-fluorophenethylic alcohol,2-(4-fluorophenyl)ethanol,OCCc1ccc(F)cc1,OCCc1ccc(F)cc1,"InChI=1/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2",C8H9FO,,,,,,MWUVGXCUHWKQJE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.642,231-506-1,7598-80-3,"a-phenyl[1,1'-biphenyl]-4-methanol",biphenyl-4-yl(phenyl)methanol,OC(c1ccccc1)c2ccc(cc2)c3ccccc3,OC(c1ccccc1)c2ccc(cc2)c3ccccc3,"InChI=1/C19H16O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H",C19H16O,,,,,,WMFZVLIHQVUVGO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.646,231-510-3,7601-55-0,"Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-, diiodide","6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium diiodide",[I-].[I-].COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(C[C@H]6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5,[I-].[I-].COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(C[C@H]6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5,"InChI=1/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2",C40H48N2O6.2I,,,,,,DIGFQJFCDPKEPF-OIUSMDOTSA-L,,,,,,,,,,,
100.028.657,231-522-9,7613-16-3,Octamethylenediammonium dichloride,"octane-1,8-diamine",NCCCCCCCCN,NCCCCCCCCN,InChI=1/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2,C8H20N2.2ClH,,,,,,PWGJDPKCLMLPJW-UHFFFAOYSA-N,Positive,ML000401,[M+H]+,HCD50,128.1433:145.1699:111.1166,MetaboLights,,,,,
100.028.663,231-529-7,7617-75-6,3-(octadecyloxy)propylamine,3-(octadecyloxy)propan-1-amine,CCCCCCCCCCCCCCCCCCOCCCN,CCCCCCCCCCCCCCCCCCOCCCN,"InChI=1/C21H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h2-22H2,1H3",C21H45NO,,,,,,GWOUPOJUVSKJCH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.665,231-531-8,7617-82-5,3-(tetradecyloxy)propylamine,3-(tetradecyloxy)propan-1-amine,CCCCCCCCCCCCCCOCCCN,CCCCCCCCCCCCCCOCCCN,"InChI=1/C17H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h2-18H2,1H3",C17H37NO,,,,,,XIFDDGOEJJEZBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.668,231-534-4,7620-75-9,"Oleic acid, compound with dibutylamine (1:1)",octadec-9-enoic acid - N-butylbutan-1-amine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCCCNCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCNCCCC,"InChI=1/C18H34O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-7-9-8-6-4-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);9H,3-8H2,1-2H3",C18H34O2.C8H19N,,,,,,FJKPGTVTPYZWCM-KVVVOXFISA-N,,,,,,,,,,,
100.028.669,231-536-5,7620-77-1,Lithium 12-hydroxystearate,lithium 12-hydroxyoctadecanoate,[Li+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Li+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1",C18H36O3.Li,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15435,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.669,FPLIHVCWSXLMPX-UHFFFAOYSA-M,,,,,,,,,,,
100.028.673,231-540-7,8/09/7623,2-chloropropionyl chloride,2-chloropropanoyl chloride,CC(Cl)C(=O)Cl,CC(Cl)C(=O)Cl,"InChI=1/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3",C3H4Cl2O,,,,,,JEQDSBVHLKBEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.679,231-547-5,7631-89-2,"Arsenic acid, sodium salt",sodium dihydrogen arsenate,[Na+].O[As](=O)(O)[O-],[Na+].O[As](=O)(O)[O-],"InChI=1/AsH3O4.Na/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1",AsH3O4.xNa,,,,,,XCVRTGQHVBWRJB-UHFFFAOYSA-M,,,,,,,,,,,
100.026.574,229-231-7,6441-93-6,"Disodium 5-(acetylamino)-4-hydroxy-3-[(o-tolyl)azo]naphthalene-2,7-disulphonate","disodium 5-acetamido-4-hydroxy-3-[(2-methylphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc2cc(cc3cc(c(N=Nc1ccccc1C)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc2cc(cc3cc(c(N=Nc1ccccc1C)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C19H17N3O8S2.2Na/c1-10-5-3-4-6-14(10)21-22-18-16(32(28,29)30)8-12-7-13(31(25,26)27)9-15(20-11(2)23)17(12)19(18)24;;/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C19H17N3O8S2.2Na,,,,,,LGWXIBBJZQOXSO-UHFFFAOYSA-L,,,,,,,,,,,
100.026.579,229-236-4,6/08/6442,"4,4'-cyclohexylidenedi-o-toluidine","4,4'-cyclohexane-1,1-diylbis(2-methylaniline)",Cc1cc(ccc1N)C2(CCCCC2)c3ccc(N)c(C)c3,Cc1cc(ccc1N)C2(CCCCC2)c3ccc(N)c(C)c3,"InChI=1/C20H26N2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13H,3-5,10-11,21-22H2,1-2H3",C20H26N2,,,,,,CGEPGDQNCRDJHS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.772,227-248-4,5736-89-0,1-(4-butoxyphenyl)ethan-1-one,1-(4-butoxyphenyl)ethanone,CCCCOc1ccc(cc1)C(=O)C,CCCCOc1ccc(cc1)C(=O)C,"InChI=1/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3",C12H16O2,,,,,,YYLCJWIQUFHYMY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.776,227-253-1,5739-83-3,Methyl (E)-4-hydroxy-4-methylpent-2-en-1-oate,methyl 4-hydroxy-4-methylpent-2-enoate,COC(=O)\\C=C\\C(C)(C)O,COC(=O)\C=C\C(C)(C)O,"InChI=1/C7H12O3/c1-7(2,9)5-4-6(8)10-3/h4-5,9H,1-3H3",C7H12O3,,,,,,GIWZMQDOFIGDGO-SNAWJCMRSA-N,,,,,,,,,,,
100.024.794,227-273-0,5749-67-7,Carbasalate calcium,calcium bis(2-acetoxybenzoate) - urea (1:1),[Ca+2].CC(=O)Oc1ccccc1C(=O)[O-].CC(=O)Oc2ccccc2C(=O)[O-].NC(=O)N,[Ca+2].CC(=O)Oc1ccccc1C(=O)[O-].CC(=O)Oc2ccccc2C(=O)[O-].NC(=O)N,"InChI=1/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2",C9H8O4.CH4N2O.1/2Ca,,,,,,VYMUGTALCSPLDM-UHFFFAOYSA-L,,,,,,,,,,,
100.024.804,227-284-0,5762-56-1,"N,N,N',N',N'',N''-hexamethylmethanetriamine","N,N,N',N',N'',N''-hexamethylmethanetriamine",CN(C)C(N(C)C)N(C)C,CN(C)C(N(C)C)N(C)C,"InChI=1/C7H19N3/c1-8(2)7(9(3)4)10(5)6/h7H,1-6H3",C7H19N3,,,,,,MUMVIYLVHVCYGI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.806,227-286-1,5763-49-5,"Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione","tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione",O=C1OC(=O)C2CCCC12,O=C1OC(=O)C2CCCC12,"InChI=1/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2",C7H8O3,,,,,,NMSRALOLNIBERV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.809,227-289-8,5765-44-6,5-methylisoxazole,5-methylisoxazole,Cc1oncc1,Cc1oncc1,"InChI=1/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3",C4H5NO,,,,,,AGQOIYCTCOEHGR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.811,227-291-9,5766-79-0,2-phenyl-2-piperidinoacetonitrile,phenyl(piperidin-1-yl)acetonitrile,N#CC(N1CCCCC1)c2ccccc2,N#CC(N1CCCCC1)c2ccccc2,"InChI=1/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2",C13H16N2,,,,,,IXQJQHORYHYKBD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.835,225-119-7,4672-18-8,4-piperidinobutyronitrile,4-piperidin-1-ylbutanenitrile,N#CCCCN1CCCCC1,N#CCCCN1CCCCC1,"InChI=1/C9H16N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-9H2",C9H16N2,,,,,,CVROVTGNNDIZNS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.836,225-120-2,4672-30-4,(2-phenylethyl)phosphonic acid,(2-phenylethyl)phosphonic acid,OP(=O)(O)CCc1ccccc1,OP(=O)(O)CCc1ccccc1,"InChI=1/C8H11O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)",C8H11O3P,,,,,,BFDYSJCMAFSRDH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.837,225-121-8,4672-38-2,Propylphosphonic acid,propylphosphonic acid,CCCP(=O)(O)O,CCCP(=O)(O)O,"InChI=1/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)",C3H9O3P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5951,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.837,NSETWVJZUWGCKE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.843,225-128-6,4676-39-5,"1-(1,3-benzodioxol-5-yl)acetone","1-(1,3-benzodioxol-5-yl)acetone",CC(=O)Cc1ccc2OCOc2c1,CC(=O)Cc1ccc2OCOc2c1,"InChI=1/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3",C10H10O3,,,,,,XIYKRJLTYKUWAM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.844,225-129-1,4676-51-1,Diethyl methylsuccinate,diethyl 2-methylsuccinate,CCOC(=O)CC(C)C(=O)OCC,CCOC(=O)CC(C)C(=O)OCC,"InChI=1/C9H16O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3",C9H16O4,,,,,,XHLXMRJWRKQMCP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.848,225-133-3,4681-22-5,"Sodium hydrogen 3-aminonaphthalene-1,5-disulphonate","sodium hydrogen 3-aminonaphthalene-1,5-disulfonate",[Na+].Nc1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.Na/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2",C10H9NO6S2.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17463,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.848,AXTIFEPCSRBRNK-UHFFFAOYSA-L,,,,,,,,,,,
100.022.853,225-139-6,4684-28-0,"[7(S)-(1a,.2ß,4ß,5a,7ß)]-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate","3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate",OCC(C(=O)OC1CC2NC(C1)C3OC23)c4ccccc4,OCC(C(=O)OC1CC2NC(C1)C3OC23)c4ccccc4,"InChI=1/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2",C16H19NO4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7328,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.853,MOYZEMOPQDTDHA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.856,225-142-2,4685-47-6,"3,4-dimethylanisole","3,4-dimethylphenyl methyl ether",COc1ccc(C)c(C)c1,COc1ccc(C)c(C)c1,"InChI=1/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3",C9H12O,,,,,,LVUBSVWMOWKPDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.870,225-157-4,4694-91-1,6-nitrobenzoxazol-2(3H)-one,"6-nitro-1,3-benzoxazol-2(3H)-one",[O-][N+](=O)c1ccc2NC(=O)Oc2c1,[O-][N+](=O)c1ccc2NC(=O)Oc2c1,"InChI=1/C7H4N2O4/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)",C7H4N2O4,,,,,,JGYJZHYTADCWIK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.871,225-159-5,4695-31-2,2-mercapto-2-methylpropionic acid,2-methyl-2-sulfanylpropanoic acid,CC(C)(S)C(=O)O,CC(C)(S)C(=O)O,"InChI=1/C4H8O2S/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)",C4H8O2S,,,,,,JTMBCYAUSCBSEY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.006,225-306-3,7/03/4767,"2,2-bis(hydroxymethyl)propionic acid",3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid,CC(CO)(CO)C(=O)O,CC(CO)(CO)C(=O)O,"InChI=1/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)",C5H10O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13154,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.006,PTBDIHRZYDMNKB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.932,229-624-3,6630-41-7,1-chloro-4-(3-chloro-1-methoxypropyl)benzene,1-chloro-4-(3-chloro-1-methoxypropyl)benzene,COC(CCCl)c1ccc(Cl)cc1,COC(CCCl)c1ccc(Cl)cc1,"InChI=1/C10H12Cl2O/c1-13-10(6-7-11)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3",C10H12Cl2O,,,,,,WEMSZIUGMVBXTP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.935,229-628-5,7/11/6632,"1,1'-(10H-phenothiazine-2,10-diyl)bisethan-1-one",1-(10-acetyl-10H-phenothiazin-2-yl)ethanone,CC(=O)N1c2ccccc2Sc3ccc(cc13)C(=O)C,CC(=O)N1c2ccccc2Sc3ccc(cc13)C(=O)C,"InChI=1/C16H13NO2S/c1-10(18)12-7-8-16-14(9-12)17(11(2)19)13-5-3-4-6-15(13)20-16/h3-9H,1-2H3",C16H13NO2S,,,,,,JZADVKPETZDDHU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.937,229-630-6,6634-18-0,"Dibutyl 2,2'-oxybisacetate","dibutyl 2,2'-oxydiacetate",CCCCOC(=O)COCC(=O)OCCCC,CCCCOC(=O)COCC(=O)OCCCC,"InChI=1/C12H22O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-10H2,1-2H3",C12H22O5,,,,,,GYTOWSMQXHCYNU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.939,229-632-7,6634-88-4,Sodium p-arsonobenzenesulphonate,sodium 4-arsonobenzenesulfonate,[Na+].O[As](=O)(O)c1ccc(cc1)S(=O)(=O)[O-],[Na+].O[As](=O)(O)c1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H7AsO6S.Na/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13;/h1-4H,(H2,8,9,10)(H,11,12,13);/q;+1/p-1",C6H7AsO6S.Na,,,,,,VWHNQEYYVJZBBW-UHFFFAOYSA-M,,,,,,,,,,,
100.026.946,229-640-0,4/02/6638,"Hydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]phenylmethylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium","hydrogen 3-[(ethyl{4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene}ammonio)methyl]benzenesulfonate",[H+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c2ccc(cc2)/C(c3ccccc3)=C4\\C=C/C(/C=C4)=[N+](Cc5cccc(c5)S([O-])(=O)=O)CC,[H+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c2ccc(cc2)/C(c3ccccc3)=C4\C=C/C(/C=C4)=[N+](Cc5cccc(c5)S([O-])(=O)=O)CC,"InChI=1/C37H36N2O6S2.H2/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);1H/q;+1/p-1",C37H36N2O6S2,,,,,,SRRJCDUOSQWHGS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.948,229-642-1,6638-79-5,N-methoxymethylamine hydrochloride,N-methoxymethanamine hydrochloride,Cl.CNOC,Cl.CNOC,"InChI=1/C2H7NO.ClH/c1-3-4-2;/h3H,1-2H3;1H",C2H7NO.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18449,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.948,USZLCYNVCCDPLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.954,229-648-4,6639-86-7,"2-methylquinoxaline 1,4-dioxide","2-methylquinoxaline 1,4-dioxide",Cc1c[n+]([O-])c2ccccc2[n+]1[O-],Cc1c[n+]([O-])c2ccccc2[n+]1[O-],"InChI=1/C9H8N2O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",C9H8N2O2,,,,,,PZUHHXFIMAEXGO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.957,229-652-6,1/09/6640,5-(phenylmethoxy)-1H-indole-2-carboxylic acid,5-(benzyloxy)-1H-indole-2-carboxylic acid,OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1,OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1,"InChI=1/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)",C16H13NO3,,,,,,MVCLSAMNMAWXFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.959,229-654-7,6640-24-0,1-(m-chlorophenyl)piperazine,1-(3-chlorophenyl)piperazine,Clc1cccc(c1)N2CCNCC2,Clc1cccc(c1)N2CCNCC2,"InChI=1/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2",C10H13ClN2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11716,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.959,VHFVKMTVMIZMIK-UHFFFAOYSA-N,Positive,EA281801|EA281802|EA281803|EA281804|EA281805|EA281806|EA281807|EA281808|EA281809|EA281810|EA281811|EA281812|EA281813|EA281814;ET130001|ET130002|ET130003|ET130004|ET130005,[M+H]+;[M+H]+,"CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",154.042:119.073:197.0843|197.0844|197.0843:154.042:119.073|197.0843:154.042:119.0731|154.0419:197.0843:119.073|154.042:119.0731:118.0652|154.0417:118.0652:119.0729|197.0842:154.0413|197.0842:154.042:195.0685|197.0842:154.0419:119.073|154.0419:197.0842:119.073|154.0419:119.073:118.0652|154.0419:118.0652:119.073|154.0419:119.073:140.0262;154.0415:119.0726:118.0649|118.0649:119.0726:154.0415|197.0835:154.0414:119.0727|197.0835:154.0415:119.0727|197.0836:154.0416:119.0727,Eawag;Eawag_Additional_Specs,,,,,
100.026.960,229-655-2,6640-25-1,4-chlorophenyl cyclopropyl ketone,(4-chlorophenyl)(cyclopropyl)methanone,Clc1ccc(cc1)C(=O)C2CC2,Clc1ccc(cc1)C(=O)C2CC2,"InChI=1/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2",C10H9ClO,,,,,,OPSFCTBBDIDFJM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.063,225-369-7,4808-30-4,Hexabutyldistannathiane,hexabutyldistannathiane,CCCC[Sn](CCCC)(CCCC)S[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)S[Sn](CCCC)(CCCC)CCCC,"InChI=1/6C4H9.S.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;/rC24H54SSn2/c1-7-13-19-26(20-14-8-2,21-15-9-3)25-27(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3",C24H54SSn2,,,,,,BDIWFCKBPZPBQT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.065,225-371-8,4808-75-7,"3,5-diethyl-2-propylpyridine","3,5-diethyl-2-propylpyridine",CCCc1ncc(CC)cc1CC,CCCc1ncc(CC)cc1CC,"InChI=1/C12H19N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9H,4-7H2,1-3H3",C12H19N,,,,,,SCJHPUGWYHCYAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.068,225-374-4,4810-57-5,"5-oxoproline, compound with (carboxylatomethyl)trimethylammonium (1:1)",(trimethylammonio)acetate - 5-oxoproline (1:1),C[N+](C)(C)CC(=O)[O-].OC(=O)C1CCC(=O)N1,C[N+](C)(C)CC(=O)[O-].OC(=O)C1CCC(=O)N1,"InChI=1/C5H7NO3.C5H11NO2/c7-4-2-1-3(6-4)5(8)9;1-6(2,3)4-5(7)8/h3H,1-2H2,(H,6,7)(H,8,9);4H2,1-3H3",C5H11NO2.C5H7NO3,,,,,,WOPICKJSMWPYCA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.071,225-378-6,4812-15-1,Sodium 2-hydroxy-3-iodopropanesulphonate,sodium 2-hydroxy-3-iodopropane-1-sulfonate,[Na+].OC(CI)CS(=O)(=O)[O-],[Na+].OC(CI)CS(=O)(=O)[O-],"InChI=1/C3H7IO4S.Na/c4-1-3(5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1",C3H7IO4S.Na,,,,,,XCAITBQFQMTNMS-UHFFFAOYSA-M,,,,,,,,,,,
100.023.074,225-381-2,1/04/4813,1'(or 2')-(isopropylidene)isonicotinohydrazide,N'-isopropylideneisonicotinohydrazide,CC(=NNC(=O)c1ccncc1)C,CC(=NNC(=O)c1ccncc1)C,"InChI=1/C9H11N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-6H,1-2H3,(H,12,13)",C9H11N3O,,,,,,LRCPYBHPYVZWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.590,221-548-9,3142-42-5,2-(2H-benzotriazol-2-yl)-4-dodecylphenol,2-(2H-benzotriazol-2-yl)-4-dodecylphenol,CCCCCCCCCCCCc1ccc(O)c(c1)n2nc3ccccc3n2,CCCCCCCCCCCCc1ccc(O)c(c1)n2nc3ccccc3n2,"InChI=1/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(28)23(19-20)27-25-21-15-12-13-16-22(21)26-27/h12-13,15-19,28H,2-11,14H2,1H3",C24H33N3O,,,,,,RKVRWKDTXOIXNG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.592,221-551-5,3142-58-3,"3,3-dimethylpentane-2,4-dione","3,3-dimethylpentane-2,4-dione",CC(=O)C(C)(C)C(=O)C,CC(=O)C(C)(C)C(=O)C,"InChI=1/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3",C7H12O2,,,,,,SWGDHTSWHSSMLE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.595,221-554-1,3144-16-9,2-oxobornane-10-sulphonic acid,"(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid",CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,"InChI=1/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)",C10H16O4S,,,,,,MIOPJNTWMNEORI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.599,221-558-3,3146-39-2,"Exo-2,3-epoxynorbornane","3-oxatricyclo[3.2.1.0~2,4~]octane",C1CC2CC1C3OC23,C1CC2CC1C3OC23,"InChI=1/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2",C7H10O,,,,,,OHNNZOOGWXZCPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.601,221-560-4,3146-50-7,D-glycero-D-gulo-heptose,D-glycero-D-gulo-heptose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O,"InChI=1/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2",C7H14O7,,,,,,YPZMPEPLWKRVLD-PJEQPVAWSA-N,,,,,,,,,,,
100.019.602,221-562-5,3146-66-5,5-allyl-5-butylbarbituric acid,"5-allyl-5-butylpyrimidine-2,4,6(1H,3H,5H)-trione",CCCCC1(CC=C)C(=O)NC(=O)NC1=O,CCCCC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4H,2-3,5-7H2,1H3,(H2,12,13,14,15,16)",C11H16N2O3,,,,,,RRWVWLGUQPLOMY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.603,221-563-0,3147-14-6,3-hydroxy-4-(6-hydroxy-m-tolylazo)naphthalene-1-sulphonic acid,3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid,Oc3ccc(C)cc3N=Nc2c1ccccc1c(cc2O)S(O)(=O)=O,Oc3ccc(C)cc3N=Nc2c1ccccc1c(cc2O)S(O)(=O)=O,"InChI=1/C17H14N2O5S/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24/h2-9,20-21H,1H3,(H,22,23,24)",C17H14N2O5S,,,,,,VBRNLOQCBCPPHL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.612,221-573-5,3147-75-9,"2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol","2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol",CC(C)(C)CC(C)(C)c1ccc(O)c(c1)n2nc3ccccc3n2,CC(C)(C)CC(C)(C)c1ccc(O)c(c1)n2nc3ccccc3n2,"InChI=1/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3",C20H25N3O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13220,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.612,IYAZLDLPUNDVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.614,221-575-6,3148-72-9,2-hydroxytrimethylenediaminetetra(acetic acid),"2,2',2'',2'''-[(2-hydroxypropane-1,3-diyl)dinitrilo]tetraacetic acid",OC(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O,OC(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O,"InChI=1/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)",C11H18N2O9,,,,,,WYMDDFRYORANCC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.620,221-581-9,3149-68-6,Methyl D-glucopyranoside,methyl D-glucopyranoside,COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",C7H14O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17279,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.620,HOVAGTYPODGVJG-WLDMJGECSA-N,,,,,,,,,,,
100.019.621,221-582-4,3150-15-0,"Methyl 2,3-anhydro-4,6-O-(benzylidene)-a-allo-D-pyranoside","methyl 4,6-O-benzylidene-3-deoxyhex-2-enopyranoside",COC1OC2COC(OC2C=C1O)c3ccccc3,COC1OC2COC(OC2C=C1O)c3ccccc3,"InChI=1/C14H16O5/c1-16-14-10(15)7-11-12(19-14)8-17-13(18-11)9-5-3-2-4-6-9/h2-7,11-15H,8H2,1H3",C14H16O5,,,,,,HCOVTCJYMHQTEG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.624,221-586-6,3150-82-1,4-[(2-chloro-4-nitrophenyl)azo]-N-phenylaniline,4-[(2-chloro-4-nitrophenyl)diazenyl]-N-phenylaniline,Clc3cc(ccc3N=Nc2ccc(Nc1ccccc1)cc2)[N+]([O-])=O,Clc3cc(ccc3N=Nc2ccc(Nc1ccccc1)cc2)[N+]([O-])=O,"InChI=1/C18H13ClN4O2/c19-17-12-16(23(24)25)10-11-18(17)22-21-15-8-6-14(7-9-15)20-13-4-2-1-3-5-13/h1-12,20H",C18H13ClN4O2,,,,,,RJXMVDQBCHMJTE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.126,219-937-3,2578-45-2,"2-chloro-3,5-dinitropyridine","2-chloro-3,5-dinitropyridine",[O-][N+](=O)c1cnc(Cl)c(c1)[N+](=O)[O-],[O-][N+](=O)c1cnc(Cl)c(c1)[N+](=O)[O-],InChI=1/C5H2ClN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H,C5H2ClN3O4,,,,,,QLHVJBXAQWPEDI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.127,219-938-9,2578-84-9,4-nitrophenyl 3-phenyl-N-[(phenylmethoxy)carbonyl]-L-alaninate,4-nitrophenyl N-[(benzyloxy)carbonyl]-L-phenylalaninate,[O-][N+](=O)c1ccc(OC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1,[O-][N+](=O)c1ccc(OC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1,"InChI=1/C23H20N2O6/c26-22(31-20-13-11-19(12-14-20)25(28)29)21(15-17-7-3-1-4-8-17)24-23(27)30-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,24,27)",C23H20N2O6,,,,,,TVENQUPLPBPLGU-NRFANRHFSA-N,,,,,,,,,,,
100.018.133,219-945-7,2580-60-1,Oxybisacetohydrazide,"2,2'-oxydiacetohydrazide",NNC(=O)COCC(=O)NN,NNC(=O)COCC(=O)NN,"InChI=1/C4H10N4O3/c5-7-3(9)1-11-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10)",C4H10N4O3,,,,,,BDDCLYANXRQQNB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.134,219-946-2,2580-63-4,N-hydroxypropionamide,N-hydroxypropanamide,CCC(=O)NO,CCC(=O)NO,"InChI=1/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)",C3H7NO2,,,,,,RSIPQHOWTCNEBI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.580,229-238-5,6442-10-0,"N,N-diethyl-4-nitroso-m-toluidine","N,N-diethyl-3-methyl-4-nitrosoaniline",CCN(CC)c1ccc(N=O)c(C)c1,CCN(CC)c1ccc(N=O)c(C)c1,"InChI=1/C11H16N2O/c1-4-13(5-2)10-6-7-11(12-14)9(3)8-10/h6-8H,4-5H2,1-3H3",C11H16N2O,,,,,,IXKRLNGTKXUSEI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.587,229-245-3,6448-95-9,3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalene-2-carboxamide,3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-phenyl-2-naphthamide,[O-][N+](=O)c4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c(C)cc4,[O-][N+](=O)c4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c(C)cc4,"InChI=1/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30)",C24H18N4O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10472,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.587,XYZMEPHFXJHGIX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.589,229-247-4,6449-00-9,Dichromium tricarbonate,dichromium tricarbonate,[Cr+2].[Cr+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Cr+2].[Cr+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Cr/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+2/p-6",CH2O3.2/3Cr,,,,,,KXYIZMAUUUYDMV-UHFFFAOYSA-H,,,,,,,,,,,
100.026.590,229-249-5,8/09/6449,"9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonic acid","1,5-dihydroxy-4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid",Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)O,Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C14H6N2O14S2/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)8-4(16(23)24)2-6(32(28,29)30)12(18)10(8)13(7)19/h1-2,17-18H,(H,25,26,27)(H,28,29,30)",C14H6N2O14S2,,,,,,OPZUWDAYFQMSMY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.594,229-253-7,6452-47-7,Methylcarbamoyl chloride,methylcarbamic chloride,CNC(=O)Cl,CNC(=O)Cl,"InChI=1/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)",C2H4ClNO,,,,,,GRRYSIXDUIAUGY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.596,229-255-8,6452-57-9,"3-(isopropylamino)propane-1,2-diol","3-(isopropylamino)propane-1,2-diol",CC(C)NCC(O)CO,CC(C)NCC(O)CO,"InChI=1/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3",C6H15NO2,,,,,,YKBZGEJJKPNRSI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.601,229-261-0,6454-22-4,"2-hexyl-4,5-dimethyl-1,3-dioxolane","2-hexyl-4,5-dimethyl-1,3-dioxolane",CCCCCCC1OC(C)C(C)O1,CCCCCCC1OC(C)C(C)O1,"InChI=1/C11H22O2/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h9-11H,4-8H2,1-3H3",C11H22O2,,,,,,MTNLKAOONWIMIT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.003,227-504-5,5859-11-0,6-hydroxy-5-[(4-sulphophenyl)azo]naphthalene-2-sulphonic acid,6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3ccc2O)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3ccc2O)S(O)(=O)=O,"InChI=1/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)",C16H12N2O7S2,,,,,,KEYWXKLGZZGHMT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.006,227-507-1,5860-63-9,"4-(1-methylpropyl)oxazolidine-2,5-dione","4-sec-butyl-1,3-oxazolidine-2,5-dione",CCC(C)C1NC(=O)OC1=O,CCC(C)C1NC(=O)OC1=O,"InChI=1/C7H11NO3/c1-3-4(2)5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)",C7H11NO3,,,,,,WAACGCAWLJFFQX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.008,227-509-2,5862-40-8,2-mercaptoethyl acetate,2-sulfanylethyl acetate,CC(=O)OCCS,CC(=O)OCCS,"InChI=1/C4H8O2S/c1-4(5)6-2-3-7/h7H,2-3H2,1H3",C4H8O2S,,,,,,YDLAHBBJAGGIJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.014,227-516-0,5863-88-7,"Sodium 2'-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate","sodium 2'-(4-{[2,4-dihydroxy-3-(phenyldiazenyl)phenyl]diazenyl}phenyl)-6-methyl-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].Oc7ccc(N=Nc1ccc(cc1)c2nc3ccc(cc3s2)c4nc5ccc(C)c(c5s4)S([O-])(=O)=O)c(O)c7N=Nc6ccccc6,[Na+].Oc7ccc(N=Nc1ccc(cc1)c2nc3ccc(cc3s2)c4nc5ccc(C)c(c5s4)S([O-])(=O)=O)c(O)c7N=Nc6ccccc6,"InChI=1/C33H22N6O5S3.Na/c1-18-7-13-25-30(31(18)47(42,43)44)46-33(35-25)20-10-14-23-27(17-20)45-32(34-23)19-8-11-22(12-9-19)36-38-24-15-16-26(40)28(29(24)41)39-37-21-5-3-2-4-6-21;/h2-17,40-41H,1H3,(H,42,43,44);/q;+1/p-1",C33H22N6O5S3.Na,,,,,,QGAKSIUZYIIJGH-UHFFFAOYSA-M,,,,,,,,,,,
100.025.015,227-517-6,5863-95-6,"Disodium 8-[[4-(acetylcyclohexylamino)phenyl]azo]-7-hydroxynaphthalene-1,3-disulphonate","disodium 8-({4-[acetyl(cyclohexyl)amino]phenyl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].O=C(C)N(c3ccc(N=Nc1c2c(cc(cc2ccc1O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)C4CCCCC4,[Na+].[Na+].O=C(C)N(c3ccc(N=Nc1c2c(cc(cc2ccc1O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)C4CCCCC4,"InChI=1/C24H25N3O8S2.2Na/c1-15(28)27(18-5-3-2-4-6-18)19-10-8-17(9-11-19)25-26-24-21(29)12-7-16-13-20(36(30,31)32)14-22(23(16)24)37(33,34)35;;/h7-14,18,29H,2-6H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C24H25N3O8S2.2Na,,,,,,WLFRNSIJIIFBAL-UHFFFAOYSA-L,,,,,,,,,,,
100.025.017,227-519-7,3/05/5868,Niceritrol,"3-[(pyridin-3-ylcarbonyl)oxy]-2,2-bis{[(pyridin-3-ylcarbonyl)oxy]methyl}propyl nicotinate",O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4,O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4,"InChI=1/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2",C29H24N4O8,,,,,,KUEUWHJGRZKESU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.007,225-307-9,4767-14-0,3-[bis(2-hydroxyethyl)amino]propan-1-ol,3-[bis(2-hydroxyethyl)amino]propan-1-ol,OCCCN(CCO)CCO,OCCCN(CCO)CCO,"InChI=1/C7H17NO3/c9-5-1-2-8(3-6-10)4-7-11/h9-11H,1-7H2",C7H17NO3,,,,,,BIHLHMHULOMJLI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.398,231-238-5,7459-67-8,Zinc di(thiobenzoate),zinc bisbenzenecarbothioate,[Zn+2].[S-]C(=O)c1ccccc1.[S-]C(=O)c2ccccc2,[Zn+2].[S-]C(=O)c1ccccc1.[S-]C(=O)c2ccccc2,"InChI=1/2C7H6OS.Zn/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6OS.1/2Zn,,,,,,PMSFZUPQWIRRSC-UHFFFAOYSA-L,,,,,,,,,,,
100.028.410,231-251-6,7462-24-0,"1,3,3-trimethylbicyclo[2.2.1]hept-2-yl salicylate","1,3,3-trimethylbicyclo[2.2.1]hept-2-yl salicylate",CC12CCC(C1)C(C)(C)C2OC(=O)c3ccccc3O,CC12CCC(C1)C(C)(C)C2OC(=O)c3ccccc3O,"InChI=1/C17H22O3/c1-16(2)11-8-9-17(3,10-11)15(16)20-14(19)12-6-4-5-7-13(12)18/h4-7,11,15,18H,8-10H2,1-3H3",C17H22O3,,,,,,XQPZKMWBRDTOGK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.411,231-252-1,7463-22-1,"p-chloro-N,N-dimethylbenzenesulphonamide","4-chloro-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(Cl)cc1,CN(C)S(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C8H10ClNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3",C8H10ClNO2S,,,,,,QFNLRDMGDKMXBO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.412,231-253-7,7463-28-7,4'-dimethylaminoacetanilide,N-[4-(dimethylamino)phenyl]acetamide,CN(C)c1ccc(NC(=O)C)cc1,CN(C)c1ccc(NC(=O)C)cc1,"InChI=1/C10H14N2O/c1-8(13)11-9-4-6-10(7-5-9)12(2)3/h4-7H,1-3H3,(H,11,13)",C10H14N2O,,,,,,XZEJXEZIWLTFJR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.417,231-258-4,7464-93-9,"7,9-dihydro-1,3,9-trimethyl-1H-purine-2,6,8(3H)-trione","1,3,9-trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)N(C)C2=C(NC(=O)N2C)C1=O,CN1C(=O)N(C)C2=C(NC(=O)N2C)C1=O,"InChI=1/C8H10N4O3/c1-10-5-4(9-7(10)14)6(13)12(3)8(15)11(5)2/h1-3H3,(H,9,14)",C8H10N4O3,,,,,,CWENCZHQIWXCCA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.421,231-263-1,7467-71-2,"4,4'-pentamethylenedioxydibenzonitrile","4,4'-[pentane-1,5-diylbis(oxy)]dibenzonitrile",N#Cc1ccc(OCCCCCOc2ccc(cc2)C#N)cc1,N#Cc1ccc(OCCCCCOc2ccc(cc2)C#N)cc1,"InChI=1/C19H18N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11H,1-3,12-13H2",C19H18N2O2,,,,,,DHTURPCVCDUKBT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.430,231-273-6,7473-99-6,2-chloro-2-methylpropiophenone,2-chloro-2-methyl-1-phenylpropan-1-one,CC(C)(Cl)C(=O)c1ccccc1,CC(C)(Cl)C(=O)c1ccccc1,"InChI=1/C10H11ClO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3",C10H11ClO,,,,,,NUJHTYRNHYOUKO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.432,231-275-7,7474-95-5,N-[3-(dimethylamino)phenyl]acetamide,N-[3-(dimethylamino)phenyl]acetamide,CN(C)c1cccc(NC(=O)C)c1,CN(C)c1cccc(NC(=O)C)c1,"InChI=1/C10H14N2O/c1-8(13)11-9-5-4-6-10(7-9)12(2)3/h4-7H,1-3H3,(H,11,13)",C10H14N2O,,,,,,MHGIJXSAUHOIDU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.435,231-278-3,4/06/7476,"4,4'-trimethylenedioxydibenzonitrile","4,4'-[propane-1,3-diylbis(oxy)]dibenzonitrile",N#Cc1ccc(cc1)OCCCOc2ccc(cc2)C#N,N#Cc1ccc(cc1)OCCCOc2ccc(cc2)C#N,"InChI=1/C17H14N2O2/c18-12-14-2-6-16(7-3-14)20-10-1-11-21-17-8-4-15(13-19)5-9-17/h2-9H,1,10-11H2",C17H14N2O2,,,,,,MFRPGHISIXEJAA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.436,231-279-9,7476-91-7,2-phenylethyl chloroacetate,2-phenylethyl chloroacetate,ClCC(=O)OCCc1ccccc1,ClCC(=O)OCCc1ccccc1,"InChI=1/C10H11ClO2/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2",C10H11ClO2,,,,,,MVUXHXZFGGRGNC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.438,231-282-5,7477-67-0,"3,3'-dimethyl-1,1'-diphenyl-4,4'-bi-5-pyrazolone","5,5'-dimethyl-2,2'-diphenyl-1,1',2,2'-tetrahydro-3H,3'H-4,4'-bipyrazole-3,3'-dione",CC1=C(C(=O)N(N1)c2ccccc2)C3=C(C)NN(C3=O)c4ccccc4,CC1=C(C(=O)N(N1)c2ccccc2)C3=C(C)NN(C3=O)c4ccccc4,"InChI=1/C20H18N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12,21-22H,1-2H3",C20H18N4O2,,,,,,CIJVXSIRUQCTBV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.439,231-283-0,7478-67-3,"Diethyl (3,4,5-trimethoxybenzoyl)malonate","diethyl (3,4,5-trimethoxybenzoyl)malonate",CCOC(=O)C(C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1,CCOC(=O)C(C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1,"InChI=1/C17H22O8/c1-6-24-16(19)13(17(20)25-7-2)14(18)10-8-11(21-3)15(23-5)12(9-10)22-4/h8-9,13H,6-7H2,1-5H3",C17H22O8,,,,,,FJBSMQDCNWGUEC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.445,231-289-3,7484-37-9,Triphenyl(3-phenylpropyl)phosphonium bromide,triphenyl(3-phenylpropyl)phosphonium bromide,[Br-].C(Cc1ccccc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].C(Cc1ccccc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C27H26P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-12,14-15,17-22H,13,16,23H2;1H/q+1;/p-1",C27H26P.Br,,,,,,RPUZOJFXAPSSJD-UHFFFAOYSA-M,,,,,,,,,,,
100.028.446,231-290-9,7486-26-2,Sodium bromite,sodium bromite,[Na+].[O-]Br=O,[Na+].[O-]Br=O,"InChI=1/BrHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",BrHO2.Na,,,,,,NYCVSSWORUBFET-UHFFFAOYSA-M,,,,,,,,,,,
100.023.075,225-382-8,4813-11-0,1'(or 2')-(cinnamylidene)isonicotinohydrazide,N'-(3-phenylprop-2-en-1-ylidene)isonicotinohydrazide,O=C(NN=CC=Cc1ccccc1)c2ccncc2,O=C(NN=CC=Cc1ccccc1)c2ccncc2,"InChI=1/C15H13N3O/c19-15(14-8-11-16-12-9-14)18-17-10-4-7-13-5-2-1-3-6-13/h1-12H,(H,18,19)",C15H13N3O,,,,,,IZMVXNJRIXIGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.076,225-383-3,4813-57-4,Octadecyl acrylate,octadecyl acrylate,CCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3",C21H40O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14496,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.076,FSAJWMJJORKPKS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.077,225-384-9,4813-60-9,"2,2-bis(hydroxymethyl)butyl oleate","2,2-bis(hydroxymethyl)butyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C24H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-24(4-2,20-25)21-26/h11-12,25-26H,3-10,13-22H2,1-2H3",C24H46O4,,,,,,WAZOXQOFCQKLFT-QXMHVHEDSA-N,,,,,,,,,,,
100.023.086,225-394-3,4819-77-6,"1,1,2-triethoxyethane","1,1,2-triethoxyethane",CCOCC(OCC)OCC,CCOCC(OCC)OCC,"InChI=1/C8H18O3/c1-4-9-7-8(10-5-2)11-6-3/h8H,4-7H2,1-3H3",C8H18O3,,,,,,VNSJUZIHZNZLKM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.091,225-400-4,4825-53-0,"4,4'-(1,2-diethylethylene)diphenyl dipropionate","hexane-3,4-diyldi-4,1-phenylene dipropanoate",CCC(C(CC)c1ccc(OC(=O)CC)cc1)c2ccc(OC(=O)CC)cc2,CCC(C(CC)c1ccc(OC(=O)CC)cc1)c2ccc(OC(=O)CC)cc2,"InChI=1/C24H30O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16,21-22H,5-8H2,1-4H3",C24H30O4,,,,,,HZLYMVNJKHJFRO-UHFFFAOYSA-N,,,,,,,,,,,
100.023.098,225-408-8,4830-93-7,(4-chlorobutyl)benzene,(4-chlorobutyl)benzene,ClCCCCc1ccccc1,ClCCCCc1ccccc1,"InChI=1/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2",C10H13Cl,,,,,,FLLZCZIHURYEQP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.100,225-410-9,4832-16-0,Bicyclo[4.4.0]decan-1-one,octahydronaphthalen-1(2H)-one,O=C1CCCC2CCCCC12,O=C1CCCC2CCCCC12,"InChI=1/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-9H,1-7H2",C10H16O,,,,,,AFEFRXAPJRCTOW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.107,225-418-2,4835-39-6,4'-nitroacetoacetanilide,N-[4-(nitroacetyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)C(=O)C[N+](=O)[O-],CC(=O)Nc1ccc(cc1)C(=O)C[N+](=O)[O-],"InChI=1/C10H10N2O4/c1-7(13)11-9-4-2-8(3-5-9)10(14)6-12(15)16/h2-5H,6H2,1H3,(H,11,13)",C10H10N2O4,,,,,,GCEPJLJWZTVCRS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.966,229-662-0,6642-31-5,"6-amino-1,3-dimethyluracil","6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione",CN1C(=CC(=O)N(C)C1=O)N,CN1C(=CC(=O)N(C)C1=O)N,"InChI=1/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3",C6H9N3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10736,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.966,VFGRNTYELNYSKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.967,229-663-6,6645-46-1,(R)-(3-carboxy-2-hydroxypropyl)trimethylammonium chloride,"3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)C[C@H](O)CC(=O)O,[Cl-].C[N+](C)(C)C[C@H](O)CC(=O)O,"InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H",C7H16NO3.Cl,,,,,,JXXCENBLGFBQJM-FYZOBXCZSA-N,,,,,,,,,,,
100.026.972,229-668-3,6649-36-1,N-[3-(2-oxo-2-phenylethyl)thiazolidin-2-ylidene]acetamide,"N-[3-(2-oxo-2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide",O=C(C)N=C2SCCN2CC(=O)c1ccccc1,O=C(C)N=C2SCCN2CC(=O)c1ccccc1,"InChI=1/C13H14N2O2S/c1-10(16)14-13-15(7-8-18-13)9-12(17)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3",C13H14N2O2S,,,,,,KSMULDOXJNPNBD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.975,229-672-5,6651-25-8,Tridocosylaluminium,tridocosylaluminum,CCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC,"InChI=1/3C22H45.Al/c3*1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-22H2,2H3;/rC66H135Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67(65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-66H2,1-3H3",C66H135Al,,,,,,HRVAYBZZZHAVCT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.976,229-673-0,6651-26-9,Tritetracosylaluminium,tritetracosylaluminum,CCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/3C24H49.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-24H2,2H3;/rC72H147Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73(71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-72H2,1-3H3",C72H147Al,,,,,,MKWOCFYVIMOMNG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.977,229-674-6,6651-27-0,Trioctacosylaluminium,trioctacosylaluminum,CCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/3C28H57.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-28H2,2H3;/rC84H171Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-79-82-85(83-80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)84-81-78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-84H2,1-3H3",C84H171Al,,,,,,MCJULJJJLMTEFE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.138,219-950-4,2580-80-5,"5'-amino-2',4'-dimethylbenzanilide","N-(5-amino-2,4-dimethylphenyl)benzamide",Cc1cc(C)c(NC(=O)c2ccccc2)cc1N,Cc1cc(C)c(NC(=O)c2ccccc2)cc1N,"InChI=1/C15H16N2O/c1-10-8-11(2)14(9-13(10)16)17-15(18)12-6-4-3-5-7-12/h3-9H,16H2,1-2H3,(H,17,18)",C15H16N2O,,,,,,LCLCQESZDBITBF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.148,219-961-4,2584-48-7,N-methyl-3-oxo-N-phenylbutyramide,N-methyl-3-oxo-N-phenylbutanamide,CN(C(=O)CC(=O)C)c1ccccc1,CN(C(=O)CC(=O)C)c1ccccc1,"InChI=1/C11H13NO2/c1-9(13)8-11(14)12(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3",C11H13NO2,,,,,,IQYZGBSHBFRNED-UHFFFAOYSA-N,,,,,,,,,,,
100.018.151,219-965-6,2586-58-5,"Disodium 5-[[4'-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-{[4'-({2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)biphenyl-4-yl]diazenyl}-2-hydroxybenzoate",[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4c(N)c(C)cc(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N)cc5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4c(N)c(C)cc(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N)cc5,"InChI=1/C32H26N8O6S.2Na/c1-18-16-27(39-36-23-10-13-25(14-11-23)47(44,45)46)30(34)31(29(18)33)40-37-22-8-4-20(5-9-22)19-2-6-21(7-3-19)35-38-24-12-15-28(41)26(17-24)32(42)43;;/h2-17,41H,33-34H2,1H3,(H,42,43)(H,44,45,46);;/q;2*+1/p-2",C32H26N8O6S.2Na,,,,,,LQLLXIYULIMXDU-UHFFFAOYSA-L,,,,,,,,,,,
100.018.154,219-968-2,2587-59-9,"Trisodium 7-[[2-(acetylamino)-4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate","trisodium 7-[(2-acetamido-4-{[(2,3-dichloroquinoxalin-6-yl)carbonyl]amino}phenyl)diazenyl]naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(C)=O)NC(=O)c4cc5nc(Cl)c(Cl)nc5cc4)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(C)=O)NC(=O)c4cc5nc(Cl)c(Cl)nc5cc4)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C27H18Cl2N6O11S3.3Na/c1-12(36)30-21-9-15(31-27(37)13-2-4-18-20(7-13)33-26(29)25(28)32-18)3-5-19(21)34-35-22-11-17-14(8-24(22)49(44,45)46)6-16(47(38,39)40)10-23(17)48(41,42)43;;;/h2-11H,1H3,(H,30,36)(H,31,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3",C27H18Cl2N6O11S3.3Na,,,,,,VMNABUGNNFMZAK-UHFFFAOYSA-K,,,,,,,,,,,
100.018.155,219-969-8,2587-76-0,Chlorotrioctylstannane,chloro(trioctyl)stannane,CCCCCCCC[Sn](Cl)(CCCCCCCC)CCCCCCCC,CCCCCCCC[Sn](Cl)(CCCCCCCC)CCCCCCCC,"InChI=1/3C8H17.ClH.Sn/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;1H;/q;;;;+1/p-1/rC24H51ClSn/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51ClSn,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17966,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.155,MCNGJXAXOJDJKO-UHFFFAOYSA-M,,,,,,,,,,,
100.018.161,219-976-6,2589-57-3,"Dimethyl 2,2'-azobis(2-methylpropionate)","dimethyl 2,2'-diazene-1,2-diylbis(2-methylpropanoate)",CC(C)(N=NC(C)(C)C(=O)OC)C(=O)OC,CC(C)(N=NC(C)(C)C(=O)OC)C(=O)OC,"InChI=1/C10H18N2O4/c1-9(2,7(13)15-5)11-12-10(3,4)8(14)16-6/h1-6H3",C10H18N2O4,,,,,,ZQMHJBXHRFJKOT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.165,219-980-8,2589-78-8,p-hexadecylphenol,4-hexadecylphenol,CCCCCCCCCCCCCCCCc1ccc(O)cc1,CCCCCCCCCCCCCCCCc1ccc(O)cc1,"InChI=1/C22H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(23)20-18-21/h17-20,23H,2-16H2,1H3",C22H38O,,,,,,MHCHQNXRVNQPHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.166,219-981-3,2591-17-5,"(S)-4,5-dihydro-2-(6-hydroxybenzothiazol-2-yl)thiazole-4-carboxylic acid","2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid",OC(=O)[C@H]1CSC(=N1)c2nc3ccc(O)cc3s2,OC(=O)[C@H]1CSC(=N1)c2nc3ccc(O)cc3s2,"InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)",C11H8N2O3S2,,,,,,BJGNCJDXODQBOB-SSDOTTSWSA-N,,,,,,,,,,,
100.018.167,219-982-9,2591-21-1,"Potassium 2,4,6-trichlorophenolate","potassium 2,4,6-trichlorophenolate",[K+].[O-]c1c(Cl)cc(Cl)cc1Cl,[K+].[O-]c1c(Cl)cc(Cl)cc1Cl,"InChI=1/C6H3Cl3O.K/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.K,,,,,,UDTHXINPAYGVMM-UHFFFAOYSA-M,,,,,,,,,,,
100.018.168,219-983-4,2591-76-6,"N,N-bis(2-methylpropyl)formamide","N,N-diisobutylformamide",CC(C)CN(CC(C)C)C=O,CC(C)CN(CC(C)C)C=O,"InChI=1/C9H19NO/c1-8(2)5-10(7-11)6-9(3)4/h7-9H,5-6H2,1-4H3",C9H19NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17348,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.168,NTYICSDTCGMBQM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.339,216-872-2,1687-30-5,Hexahydrophthalic acid,"cyclohexane-1,2-dicarboxylic acid",OC(=O)C1CCCCC1C(=O)O,OC(=O)C1CCCCC1C(=O)O,"InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)",C8H12O4,,,,,,QSAWQNUELGIYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.347,216-881-1,1689-83-4,Ioxynil,"4-hydroxy-3,5-diiodobenzonitrile",Oc1c(I)cc(cc1I)C#N,Oc1c(I)cc(cc1I)C#N,"InChI=1/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",C7H3I2NO,,,,,,NRXQIUSYPAHGNM-UHFFFAOYSA-N,Negative,,,,,,EA008751|EA008752|EA008753|EA008754|EA008755|EA008756|EA008757|EA008758|EA008759|EA008760|EA008761|EA008762|EA008763|EA008764,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,126.905:369.8226:242.9186|369.8233:126.9046|369.823:126.905|126.9051:369.8229:230.9195|126.9051:116.0143:369.8243|126.905:116.0143|126.9049:116.0144:65.0032|369.823|369.8231:126.905|126.9051:369.823:116.0141|126.9051:116.0137:369.8222|126.9051:116.0137|126.905:116.0143:65.0034|126.9049:369.8225:242.9184,Eawag
100.015.353,216-887-4,1691-99-2,N-ethylheptadecafluoro-N-(2-hydroxyethyl)octanesulphonamide,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide",CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3",C12H10F17NO3S,,,,,,HUFHNYZNTFSKCT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.019,227-521-8,5870-29-1,2-(2-(1-hydroxycyclopentyl)-2-phenylacetoxy)ethyldimethylammonium chloride,"2-[2-(1-hydroxycyclopentyl)(phenyl)acetoxy]-N,N-dimethylethanaminium chloride",[Cl-].C[NH+](C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,[Cl-].C[NH+](C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,"InChI=1/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H",C17H25NO3.ClH,,,,,,RHKZVMUBMXGOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.022,227-524-4,5870-68-8,Ethyl 3-methylvalerate,ethyl 3-methylpentanoate,CCOC(=O)CC(C)CC,CCOC(=O)CC(C)CC,"InChI=1/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3",C8H16O2,,,,,,TXAWGHYFBQBVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.024,227-527-0,2/08/5872,DL-6-oxobornane-10-sulphonic acid,"(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid",CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,"InChI=1/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)",C10H16O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17113,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.024,MIOPJNTWMNEORI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.636,227-099-5,5653-67-8,"2,3-dimethoxybenzyl alcohol","(2,3-dimethoxyphenyl)methanol",COc1cccc(CO)c1OC,COc1cccc(CO)c1OC,"InChI=1/C9H12O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5,10H,6H2,1-2H3",C9H12O3,,,,,,CRLBBOBKCLYCJK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.637,227-100-9,5653-70-3,"2-methyl-1,3-dioxane-5,5-dimethanol","(2-methyl-1,3-dioxane-5,5-diyl)dimethanol",CC1OCC(CO)(CO)CO1,CC1OCC(CO)(CO)CO1,"InChI=1/C7H14O4/c1-6-10-4-7(2-8,3-9)5-11-6/h6,8-9H,2-5H2,1H3",C7H14O4,,,,,,QYSOFXYWZFPSCB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.640,227-104-0,5656-90-6,"3-hydroxy-1H,3H-naphtho[1,8-cd]pyran-1-one","3-hydroxy-1H,3H-benzo[de]isochromen-1-one",OC1OC(=O)c2cccc3cccc1c23,OC1OC(=O)c2cccc3cccc1c23,"InChI=1/C12H8O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6,11,13H",C12H8O3,,,,,,IKHBRFXMNHCNDC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.647,227-111-9,5660-83-3,Cyclopentylidenemalononitrile,cyclopentylidenemalononitrile,N#CC(=C1CCCC1)C#N,N#CC(=C1CCCC1)C#N,InChI=1/C8H8N2/c9-5-8(6-10)7-3-1-2-4-7/h1-4H2,C8H8N2,,,,,,KAAPBKWCUJTRDV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.657,227-122-9,5665-94-1,5-chlorocarvacrol,4-chloro-5-isopropyl-2-methylphenol,CC(C)c1cc(O)c(C)cc1Cl,CC(C)c1cc(O)c(C)cc1Cl,"InChI=1/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3",C10H13ClO,,,,,,AFFXNOIULZQAML-UHFFFAOYSA-N,,,,,,,,,,,
100.024.663,227-129-7,5669-09-0,"1,1'-[ethylidenebis(oxy)]bis[2-methylpropane]","1,1'-[ethane-1,1-diylbis(oxy)]bis(2-methylpropane)",CC(C)COC(C)OCC(C)C,CC(C)COC(C)OCC(C)C,"InChI=1/C10H22O2/c1-8(2)6-11-10(5)12-7-9(3)4/h8-10H,6-7H2,1-5H3",C10H22O2,,,,,,KIELJSVPUISYCI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.665,227-131-8,4/07/5673,"2,6-dimethoxytoluene","1,3-dimethoxy-2-methylbenzene",COc1cccc(OC)c1C,COc1cccc(OC)c1C,"InChI=1/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3",C9H12O2,,,,,,FPEUDBGJAVKAEE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.686,231-554-3,7631-99-4,Sodium nitrate,sodium nitrate,[Na+].[O-][N+](=O)[O-],[Na+].[O-][N+](=O)[O-],InChI=1/NO3.Na/c2-1(3)4;/q-1;+1,HNO3.Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15423,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.686,VWDWKYIASSYTQR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.689,231-558-5,5/05/7632,"Phosphoric acid, sodium salt",sodium dihydrogen phosphate,[Na+].OP(=O)(O)[O-],[Na+].OP(=O)(O)[O-],"InChI=1/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",H3O4P.xNa,,,,,,AJPJDKMHJJGVTQ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.691,231-560-6,7632-50-0,"Citric acid, ammonium salt","ammonium 3,4-dicarboxy-3-hydroxybutanoate",[NH4+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O,[NH4+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O,"InChI=1/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3",C6H8O7.xH3N,,,,,,BWKOZPVPARTQIV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.692,231-561-1,7632-51-1,Vanadium tetrachloride,vanadium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[V+2].[V+2],[Cl-].[Cl-].[Cl-].[Cl-].[V+2].[V+2],InChI=1/4ClH.2V/h4*1H;;/q;;;;2*+2/p-4,Cl4V,,,,,,UNUHYFVFMNJHJW-UHFFFAOYSA-J,,,,,,,,,,,
100.028.698,231-567-4,8/03/7637,Tetraammonium cerium tetrakis(sulphate),tetraammonium cerium tetrakis(sulphate),[NH4+].[NH4+].[NH4+].[NH4+].[Ce+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[NH4+].[NH4+].[Ce+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Ce.4H3N.4H2O4S/c;;;;;4*1-5(2,3)4/h;4*1H3;4*(H2,1,2,3,4)/q+3;;;;;;;;/p-4",Ce.4H3N.4H2O4S,,,,,,RWLNNACVLKOXAQ-UHFFFAOYSA-J,,,,,,,,,,,
100.028.701,231-571-6,7638-44-0,"2,6,7-trihydroxy-9-(3-pyridyl)-3H-xanthen-3-one","2,6,7-trihydroxy-9-pyridin-3-yl-3H-xanthen-3-one",OC1=CC2=C(c3cccnc3)c4cc(O)c(O)cc4OC2=CC1=O,OC1=CC2=C(c3cccnc3)c4cc(O)c(O)cc4OC2=CC1=O,"InChI=1/C18H11NO5/c20-12-4-10-16(6-14(12)22)24-17-7-15(23)13(21)5-11(17)18(10)9-2-1-3-19-8-9/h1-8,20-22H",C18H11NO5,,,,,,LIDNLMKOIYMWGI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.706,231-576-3,7641-77-2,"1,2,3,4,5,6-hexamethylbicyclo(2,2,0)hexa-2,5-diene","1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene",CC1=C(C)C2(C)C(=C(C)C12C)C,CC1=C(C)C2(C)C(=C(C)C12C)C,"InChI=1/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3",C12H18,,,,,,RVNQQZMIWZPGNA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.192,227-711-0,5949-36-0,"5-ethyl-5-phenylbarbituric acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)","5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione - 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (1:1)",CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.COc3ccc(Cc4nccc5cc(OC)c(OC)cc45)cc3OC,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.COc3ccc(Cc4nccc5cc(OC)c(OC)cc45)cc3OC,"InChI=1/C20H21NO4.C12H12N2O3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h5-8,10-12H,9H2,1-4H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)",C20H21NO4.C12H12N2O3,,,,,,YOSRVRJJMJSVGY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.198,227-717-3,5953-63-9,"Androst-5-ene-(3ß,17ß)-diol 3-acetate 17-benzoate",3-acetoxyandrost-5-en-17-yl benzoate,CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)OC(=O)c5ccccc5,CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)OC(=O)c5ccccc5,"InChI=1/C28H36O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-9,21-25H,10-17H2,1-3H3",C28H36O4,,,,,,JVRUDYNTKOCRNP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.208,227-728-3,5959-58-0,Sodium 4-amino-3-hydroxynaphthalene-1-sulphonate,sodium 4-amino-3-hydroxynaphthalene-1-sulfonate,[Na+].Nc1c(O)cc(c2ccccc12)S(=O)(=O)[O-],[Na+].Nc1c(O)cc(c2ccccc12)S(=O)(=O)[O-],"InChI=1/C10H9NO4S.Na/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1",C10H9NO4S.Na,,,,,,PIROYXPDJRYHBP-UHFFFAOYSA-M,,,,,,,,,,,
100.025.209,227-729-9,5959-89-7,"1,4-anhydro-D-glucitol 6-dodecanoate","1,4-anhydro-6-O-dodecanoyl-D-glucitol",CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,"InChI=1/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3",C18H34O6,,,,,,LWZFANDGMFTDAV-BURFUSLBSA-N,,,,,,,,,,,
100.025.210,227-730-4,5960-69-0,Methyl 2-phenanthryl ketone,1-(2-phenanthryl)ethanone,CC(=O)c1ccc2c(ccc3ccccc23)c1,CC(=O)c1ccc2c(ccc3ccccc23)c1,"InChI=1/C16H12O/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3",C16H12O,,,,,,CWILMKDSVMROHT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.222,227-744-0,5964-37-4,"[2-[1-(4-chlorophenyl)-1-phenylethoxy]propyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate","2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-aminium dihydrogen citrate",CC(C[NH+](C)C)OC(C)(c1ccccc1)c2ccc(Cl)cc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC(C[NH+](C)C)OC(C)(c1ccccc1)c2ccc(Cl)cc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C19H24ClNO.C6H8O7/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13,15H,14H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C19H24ClNO.xC6H8O7,,,,,,NWXYYVAVFTZHND-UHFFFAOYSA-L,,,,,,,,,,,
100.024.817,227-298-7,5772-74-7,Europium carbonate,europium(2+) carbonate,[Eu+2].[O-]C(=O)[O-],[Eu+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Eu/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Eu,,,,,,SULCVUWEGVSCPF-UHFFFAOYSA-L,,,,,,,,,,,
100.024.819,227-300-6,5776-45-4,"Estra-1,3,5(10)-triene-3,17ß-diol 17-palmitate","3-hydroxyestra-1,3,5(10)-trien-17-yl palmitate",CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,"InChI=1/C34H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(36)37-32-22-21-31-30-19-17-26-25-27(35)18-20-28(26)29(30)23-24-34(31,32)2/h18,20,25,29-32,35H,3-17,19,21-24H2,1-2H3",C34H54O3,,,,,,XQKLZLWOOGGXMV-KWXXMMNJSA-N,,,,,,,,,,,
100.024.820,227-301-1,5779-51-1,"N,N-dibutylphenethylamine",N-butyl-N-(2-phenylethyl)butan-1-amine,CCCCN(CCCC)CCc1ccccc1,CCCCN(CCCC)CCc1ccccc1,"InChI=1/C16H27N/c1-3-5-13-17(14-6-4-2)15-12-16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3",C16H27N,,,,,,LEHSOUZQZPUDEC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.823,227-304-8,4/07/5780,"7-methoxybenzo-1,3-dioxole-5-carboxaldehyde","7-methoxy-1,3-benzodioxole-5-carbaldehyde",COc1cc(C=O)cc2OCOc12,COc1cc(C=O)cc2OCOc12,"InChI=1/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3",C9H8O4,,,,,,LOFRBHZYZCIOJO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.827,227-309-5,5781-55-5,"2,5,8-trioxanonane-3,4,6,7-tetrone",methoxy(oxo)acetic anhydride,COC(=O)C(=O)OC(=O)C(=O)OC,COC(=O)C(=O)OC(=O)C(=O)OC,InChI=1/C6H6O7/c1-11-3(7)5(9)13-6(10)4(8)12-2/h1-2H3,C6H6O7,,,,,,JKFKZGGSAYSSBN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.832,227-314-2,5786-68-5,2-(1-piperazinyl)quinoline maleate,2-piperazin-1-ylquinoline but-2-enedioate,OC(=O)\\C=C/C(=O)O.C1CN(CCN1)c2ccc3ccccc3n2,OC(=O)\C=C/C(=O)O.C1CN(CCN1)c2ccc3ccccc3n2,"InChI=1/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;1-2H,(H,5,6)(H,7,8)",C13H15N3.C4H4O4,,,,,,QYJJDHZHSCTBII-BTJKTKAUSA-N,,,,,,,,,,,
100.024.833,227-315-8,5786-71-0,Fosfocreatinine,"(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)phosphoramidic acid",CN1CC(=O)N=C1NP(=O)(O)O,CN1CC(=O)N=C1NP(=O)(O)O,"InChI=1/C4H8N3O4P/c1-7-2-3(8)5-4(7)6-12(9,10)11/h2H2,1H3,(H3,5,6,8,9,10,11)",C4H8N3O4P,,,,,,HIPLEPXPNLWKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.838,227-321-0,5789-21-9,5-(1-hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one,5-(1-hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one,CC(O)C1NC(=S)N(C1=O)c2ccccc2,CC(O)C1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C11H12N2O2S/c1-7(14)9-10(15)13(11(16)12-9)8-5-3-2-4-6-8/h2-7,9,14H,1H3,(H,12,16)",C11H12N2O2S,,,,,,ZPBWLZAKZOHLOP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.978,229-675-1,6651-36-1,(1-cyclohexen-1-yloxy)trimethylsilane,(cyclohex-1-en-1-yloxy)(trimethyl)silane,C[Si](C)(C)OC1=CCCCC1,C[Si](C)(C)OC1=CCCCC1,"InChI=1/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3",C9H18OSi,,,,,,SBEMOANGDSSPJY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.979,229-676-7,6651-38-3,Methyltris[(1-methylvinyl)oxy]silane,tris(isopropenyloxy)(methyl)silane,CC(=C)O[Si](C)(OC(=C)C)OC(=C)C,CC(=C)O[Si](C)(OC(=C)C)OC(=C)C,"InChI=1/C10H18O3Si/c1-8(2)11-14(7,12-9(3)4)13-10(5)6/h1,3,5H2,2,4,6-7H3",C10H18O3Si,,,,,,ZWXYOPPJTRVTST-UHFFFAOYSA-N,,,,,,,,,,,
100.026.981,229-678-8,6654-36-0,Methyl 6-oxohexanoate,methyl 6-oxohexanoate,COC(=O)CCCCC=O,COC(=O)CCCCC=O,"InChI=1/C7H12O3/c1-10-7(9)5-3-2-4-6-8/h6H,2-5H2,1H3",C7H12O3,,,,,,FDNFXHCDOASWAY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.988,229-686-1,6/02/6656,"Sodium hydroxy[4-hydroxy-3-nitro-5-[(1,2,3,4-tetrahydro-2,4-dioxoquinolin-3-yl)azo]benzenesulphonato(3-)]chromate(1-)","sodium hydroxy[4-(hydroxy-kappaO)-3-{[4-(hydroxy-kappaO)-2-oxo-1,2-dihydroquinolin-3-yl]diazenyl}-5-nitrobenzenesulfonato(3-)]chromate(1-)",O[Cr]1OC2=C(N=Nc3cc(cc(c3O1)N(=O)=O)S(=O)(=O)O[Na])C(=O)Nc4ccccc24,O[Cr]1OC2=C(N=Nc3cc(cc(c3O1)N(=O)=O)S(=O)(=O)O[Na])C(=O)Nc4ccccc24,"InChI=1/C15H10N4O8S.Cr.Na.H2O/c20-13-8-3-1-2-4-9(8)16-15(22)12(13)18-17-10-5-7(28(25,26)27)6-11(14(10)21)19(23)24;;;/h1-6,21H,(H2,16,20,22)(H,25,26,27);;;1H2/q;+3;+1;/p-4/rC15H8CrN4NaO9S/c21-30-31(26,27)7-5-10-14(11(6-7)20(24)25)29-16(23)28-13-8-3-1-2-4-9(8)17-15(22)12(13)19-18-10/h1-6,23H,(H,17,22)",C15H8CrN4O9S.Na,,,,,,ZBZTUEYTOLKBRK-UHFFFAOYSA-J,,,,,,,,,,,
100.026.991,229-689-8,6657-00-7,4-[[2-methoxy-5-methyl-4-(phenylazo)phenyl]azo]phenol,4-{[2-methoxy-5-methyl-4-(phenyldiazenyl)phenyl]diazenyl}phenol,COc3cc(N=Nc1ccccc1)c(C)cc3N=Nc2ccc(O)cc2,COc3cc(N=Nc1ccccc1)c(C)cc3N=Nc2ccc(O)cc2,"InChI=1/C20H18N4O2/c1-14-12-19(24-22-16-8-10-17(25)11-9-16)20(26-2)13-18(14)23-21-15-6-4-3-5-7-15/h3-13,25H,1-2H3",C20H18N4O2,,,,,,NQNIWQLHLJISGU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.529,229-182-1,6424-36-8,"5'a-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate","5'-benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman phosphate (salt)",OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78)C(C)C,OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78)C(C)C,"InChI=1/C35H39N5O5.H3O4P/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41);(H3,1,2,3,4)",C35H39N5O5.xH3O4P,,,,,,SCTIUNDDSVXTLN-GRMMLOPMSA-N,,,,,,,,,,,
100.026.530,229-183-7,6424-51-7,"3,11-dichloroaceanthryleno[2,1-a]aceanthrylene-5,13-dione","3,11-dichloroaceanthryleno[2,1-a]aceanthrylene-5,13-dione",Clc1ccc2C3=C4C(=C5c6ccc(Cl)cc6C(=O)c7cccc4c57)c8cccc(C(=O)c2c1)c38,Clc1ccc2C3=C4C(=C5c6ccc(Cl)cc6C(=O)c7cccc4c57)c8cccc(C(=O)c2c1)c38,InChI=1/C30H12Cl2O2/c31-13-7-9-15-21(11-13)29(33)19-5-1-3-17-23(19)25(15)28-18-4-2-6-20-24(18)26(27(17)28)16-10-8-14(32)12-22(16)30(20)34/h1-12H,C30H12Cl2O2,,,,,,JJDXRBHQZOUEAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.533,229-186-3,6424-76-6,"17,18-dihydrodinaphtho[1',2',3':3,4;3'',2'',1'':9,10]perylo[1,12-efg][1,4]dioxocin-5,10-dione","17,18-dihydrodinaphtho[1',2',3':3,4;3'',2'',1'':9,10]perylo[1,12-efg][1,4]dioxocine-5,10-dione",O=C1c2ccccc2c3cc4OCCOc5cc6c7ccccc7C(=O)c8ccc9c%10ccc1c3c%10c4c5c9c68,O=C1c2ccccc2c3cc4OCCOc5cc6c7ccccc7C(=O)c8ccc9c%10ccc1c3c%10c4c5c9c68,"InChI=1/C36H18O4/c37-35-21-7-3-1-5-17(21)25-15-27-33-31-19(9-11-23(35)29(25)31)20-10-12-24-30-26(18-6-2-4-8-22(18)36(24)38)16-28(34(33)32(20)30)40-14-13-39-27/h1-12,15-16H,13-14H2",C36H18O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18539,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.533,YSQTVHQHQMTBHP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.546,229-200-8,6427-90-3,Chromium(2+) octanoate,chromium(2+) dioctanoate,[Cr+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Cr+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Cr/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Cr,,,,,,BWABQANXZNPJFT-UHFFFAOYSA-L,,,,,,,,,,,
100.026.558,229-213-9,5/04/6429,"1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinium chloride",[Cl-].COc1ccc(CC2[NH2+]CCc3cc(OC)c(OC)cc23)cc1OC,[Cl-].COc1ccc(CC2[NH2+]CCc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H",C20H25NO4.ClH,,,,,,VMPLLPIDRGXFTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.563,229-219-1,6439-53-8,4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2-quinolone,4-hydroxy-1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2(1H)-one,[O-][N+](=O)c1cccc(c1)N=N\\C3=C(/O)c2ccccc2N(C)C3=O,[O-][N+](=O)c1cccc(c1)N=N\C3=C(/O)c2ccccc2N(C)C3=O,"InChI=1/C16H12N4O4/c1-19-13-8-3-2-7-12(13)15(21)14(16(19)22)18-17-10-5-4-6-11(9-10)20(23)24/h2-9,21H,1H3",C16H12N4O4,,,,,,XXSLVBDPACXUDO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.355,216-890-0,1692-46-2,"2,3-dihydro-2-phenyl-4-benzopyrone hydrazone","(2-phenyl-2,3-dihydro-4H-chromen-4-ylidene)hydrazine",NN=C1CC(Oc2ccccc12)c3ccccc3,NN=C1CC(Oc2ccccc12)c3ccccc3,"InChI=1/C15H14N2O/c16-17-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15H,10,16H2",C15H14N2O,,,,,,LTYOJFOTFBGRPP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.357,216-892-1,1692-75-7,"6a-fluoro-17,21-dihydroxy-16a-methylpregn-4-ene-3,20-dione 21-acetate","6-fluoro-17-hydroxy-16-methyl-3,20-dioxopregn-4-en-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H33FO5/c1-13-9-18-16-11-20(25)19-10-15(27)5-7-22(19,3)17(16)6-8-23(18,4)24(13,29)21(28)12-30-14(2)26/h10,13,16-18,20,29H,5-9,11-12H2,1-4H3",C24H33FO5,,,,,,VNSZSSZJPJYIIB-KYEHWGLXSA-N,,,,,,,,,,,
100.015.363,216-898-4,1693-74-9,[2H4]tetrahydro[2H4]furan,tetrahydrofuran,C1CCOC1,C1CCOC1,InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H2,C4D8O,,,,,,WYURNTSHIVDZCO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.368,216-905-0,1694-64-0,2-bromo-N-[4-bromo-2-(pyridin-2-ylcarbonyl)phenyl]acetamide,2-bromo-N-[4-bromo-2-(pyridin-2-ylcarbonyl)phenyl]acetamide,BrCC(=O)Nc1ccc(Br)cc1C(=O)c2ccccn2,BrCC(=O)Nc1ccc(Br)cc1C(=O)c2ccccn2,"InChI=1/C14H10Br2N2O2/c15-8-13(19)18-11-5-4-9(16)7-10(11)14(20)12-3-1-2-6-17-12/h1-7H,8H2,(H,18,19)",C14H10Br2N2O2,,,,,,UVLXUZHEDUOEQB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.504,217-054-8,1731-88-0,Methyl tridecanoate,methyl tridecanoate,CCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCC(=O)OC,"InChI=1/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3",C14H28O2,,,,,,JNDDPBOKWCBQSM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.510,217-061-6,1732-13-4,"1,2,3,6,7,8-hexahydropyrene","1,2,3,6,7,8-hexahydropyrene",C1Cc2ccc3CCCc4ccc(C1)c2c34,C1Cc2ccc3CCCc4ccc(C1)c2c34,"InChI=1/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2",C16H16,,,,,,MBAIEZXRGAOPKH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.763,219-538-4,2457-72-9,ß-methyl-1H-indole-1-propionic acid,3-(1H-indol-1-yl)butanoic acid,CC(CC(=O)O)n1ccc2ccccc12,CC(CC(=O)O)n1ccc2ccccc12,"InChI=1/C12H13NO2/c1-9(8-12(14)15)13-7-6-10-4-2-3-5-11(10)13/h2-7,9H,8H2,1H3,(H,14,15)",C12H13NO2,,,,,,CRBDMBOXRGTJDX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.768,219-544-7,4/05/2459,Ethyl fumarate,4-ethoxy-4-oxobut-2-enoic acid,O=C(O)\\C=C\\C(=O)OCC,O=C(O)\C=C\C(=O)OCC,"InChI=1/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)",C6H8O4,,,,,,XLYMOEINVGRTEX-ONEGZZNKSA-N,,,,,,,,,,,
100.017.773,219-549-4,2460-58-4,4-nitrosalicylaldehyde,2-hydroxy-4-nitrobenzaldehyde,Oc1cc(ccc1C=O)[N+](=O)[O-],Oc1cc(ccc1C=O)[N+](=O)[O-],"InChI=1/C7H5NO4/c9-4-5-1-2-6(8(11)12)3-7(5)10/h1-4,10H",C7H5NO4,,,,,,HHDPXULKSZZACU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.776,219-553-6,2461-15-6,[[(2-ethylhexyl)oxy]methyl]oxirane,2-{[(2-ethylhexyl)oxy]methyl}oxirane,CCCCC(CC)COCC1CO1,CCCCC(CC)COCC1CO1,"InChI=1/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3",C11H22O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13238,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.776,BBBUAWSVILPJLL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.782,219-559-9,2462-84-2,Methyl 9-octadecenoate,methyl octadec-9-enoate,COC(=O)CCCCCCCC=CCCCCCCCC,COC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3",C19H36O2,,,,,,QYDYPVFESGNLHU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.783,219-560-4,2462-85-3,"Methyl octadeca-9,12-dienoate","methyl octadeca-9,12-dienoate",COC(=O)CCCCCCCC=CCC=CCCCCC,COC(=O)CCCCCCCC=CCC=CCCCCC,"InChI=1/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3",C19H34O2,,,,,,WTTJVINHCBCLGX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.786,219-564-6,2463-77-6,Undec-2-enal,undec-2-enal,CCCCCCCCC=CC=O,CCCCCCCCC=CC=O,"InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3",C11H20O,,,,,,PANBRUWVURLWGY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.788,219-566-7,2464-48-4,"N,N-dimethyltridecylammonium (2,4,5-trichlorophenoxy)acetate","N-(1-methyltridecyl)tetradecan-2-aminium (2,4,5-trichlorophenoxy)acetate",CCCCCCCCCCCCC(C)[NH2+]C(C)CCCCCCCCCCCC.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCCCCCCCCCCC(C)[NH2+]C(C)CCCCCCCCCCCC.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C28H59N.C8H5Cl3O3/c1-5-7-9-11-13-15-17-19-21-23-25-27(3)29-28(4)26-24-22-20-18-16-14-12-10-8-6-2;9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h27-29H,5-26H2,1-4H3;1-2H,3H2,(H,12,13)",C15H33N.C8H5Cl3O3,,,,,,JMTYIKUMECKPBK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.796,219-575-6,2466-67-3,Isopentyl dihydrogen phosphate,3-methylbutyl dihydrogen phosphate,OP(=O)(O)OCCC(C)C,OP(=O)(O)OCCC(C)C,"InChI=1/C5H13O4P/c1-5(2)3-4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)",C5H13O4P,,,,,,WCWLEIAMBPYRFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.797,219-576-1,2466-73-1,Isobutyl dihydrogen phosphate,isobutyl dihydrogen phosphate,CC(C)COP(=O)(O)O,CC(C)COP(=O)(O)O,"InChI=1/C4H11O4P/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)",C4H11O4P,,,,,,SVBLDLLXNRGMBG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.713,231-584-7,7645-18-3,Zinc benzenesulphonate,zinc bisbenzenesulfonate,[Zn+2].[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,[Zn+2].[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,"InChI=1/2C6H6O3S.Zn/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2",C6H6O3S.1/2Zn,,,,,,ZMCVIGZGZXZJKM-UHFFFAOYSA-L,,,,,,,,,,,
100.028.723,231-595-7,7647-01-0,Hydrogen chloride,chloride,[Cl-],[Cl-],InChI=1/ClH/h1H/p-1,ClH,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15859,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.723,VEXZGXHMUGYJMC-UHFFFAOYSA-M,,,,,,,,,,,
100.028.726,231-598-3,7647-14-5,Sodium chloride,sodium chloride,[Na+].[Cl-],[Na+].[Cl-],InChI=1/ClH.Na/h1H;/q;+1/p-1,ClNa,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15467,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.726,FAPWRFPIFSIZLT-UHFFFAOYSA-M,,,,,,,,,,,
100.028.728,231-600-2,7647-17-8,Caesium chloride,caesium chloride,[Cl-].[Cs+],[Cl-].[Cs+],InChI=1/ClH.Cs/h1H;/q;+1/p-1,ClCs,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10582,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.728,AIYUHDOJVYHVIT-UHFFFAOYSA-M,,,,,,,,,,,
100.028.731,231-603-9,3/01/7648,3-ethylrhodanine,"3-ethyl-2-thioxo-1,3-thiazolidin-4-one",CCN1C(=O)CSC1=S,CCN1C(=O)CSC1=S,"InChI=1/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3",C5H7NOS2,,,,,,UPCYEFFISUGBRW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.610,229-271-5,6459-87-6,"Trisodium 4-[[4'-[(3-carboxylato-4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium 4-({4'-[(3-carboxylato-4-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3ccc(cc3)N=NC5\\C(=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C([O-])=O,[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3ccc(cc3)N=NC5\C(=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C([O-])=O,"InChI=1/C29H20N6O9S.3Na/c36-24-14-9-20(15-23(24)28(38)39)32-30-18-5-1-16(2-6-18)17-3-7-19(8-4-17)31-33-25-26(29(40)41)34-35(27(25)37)21-10-12-22(13-11-21)45(42,43)44;;;/h1-15,25,36H,(H,38,39)(H,40,41)(H,42,43,44);;;/q;3*+1/p-3",C29H20N6O9S.3Na,,,,,,UUNPXCOEOGGFAI-UHFFFAOYSA-K,,,,,,,,,,,
100.026.614,229-275-7,6460-81-7,N-benzoyl-DL-glutamic acid,N-benzoyl-L-glutamic acid,OC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)O,OC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)O,"InChI=1/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)",C12H13NO5,,,,,,LPJXPACOXRZCCP-VIFPVBQESA-N,,,,,,,,,,,
100.026.615,229-276-2,7/04/6461,5-methyl D-glutamate,2-amino-5-methoxy-5-oxopentanoate,COC(=O)CC[C@@H](N)C(=O)[O-],COC(=O)CC[C@@H](N)C(=O)[O-],"InChI=1/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/p-1",C6H11NO4,,,,,,ZGEYCCHDTIDZAE-SCSAIBSYSA-M,,,,,,,,,,,
100.026.617,229-278-3,6464-90-0,Ethyl N-[3-chloro-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-ß-alaninate,ethyl N-{3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}-N-ethyl-beta-alaninate,Clc2cc(ccc2N=Nc1ccc(cc1C#N)[N+]([O-])=O)N(CC)CCC(=O)OCC,Clc2cc(ccc2N=Nc1ccc(cc1C#N)[N+]([O-])=O)N(CC)CCC(=O)OCC,"InChI=1/C20H20ClN5O4/c1-3-25(10-9-20(27)30-4-2)15-5-8-19(17(21)12-15)24-23-18-7-6-16(26(28)29)11-14(18)13-22/h5-8,11-12H,3-4,9-10H2,1-2H3",C20H20ClN5O4,,,,,,JLTWMENELQOLLH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.619,229-280-4,8/03/6465,Methyl (4-aminophenyl)carbamate,methyl (4-aminophenyl)carbamate,COC(=O)Nc1ccc(N)cc1,COC(=O)Nc1ccc(N)cc1,"InChI=1/C8H10N2O2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O2,,,,,,UFDGMXHPQNDESO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.621,229-283-0,6466-94-0,"D:C-Friedours-7-en-3-ol, (3ß)-","4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol",CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C,CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C,"InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3",C30H50O,,,,,,TZVDWGXUGGUMCE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.624,229-286-7,6469-36-9,Cloprothiazole,"5-(3-chloropropyl)-4-methyl-1,3-thiazole",Cc1ncsc1CCCCl,Cc1ncsc1CCCCl,"InChI=1/C7H10ClNS/c1-6-7(3-2-4-8)10-5-9-6/h5H,2-4H2,1H3",C7H10ClNS,,,,,,HMKQACOWZYBTIW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.255,231-080-7,7433-56-9,trans-dec-5-ene,dec-5-ene,CCCC\\C=C\\CCCC,CCCC\C=C\CCCC,"InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h9-10H,3-8H2,1-2H3",C10H20,,,,,,UURSXESKOOOTOV-MDZDMXLPSA-N,,,,,,,,,,,
100.028.262,231-088-0,9/07/7436,5-nitroindan,5-nitroindane,[O-][N+](=O)c1ccc2CCCc2c1,[O-][N+](=O)c1ccc2CCCc2c1,"InChI=1/C9H9NO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2",C9H9NO2,,,,,,DLURUQQMVLOLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.839,227-322-6,5789-22-0,5-(hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one,5-(hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one,OCC1NC(=S)N(C1=O)c2ccccc2,OCC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C10H10N2O2S/c13-6-8-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H,11,15)",C10H10N2O2S,,,,,,HRXXSWPUYDARQL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.841,227-324-7,5789-30-0,"1,2-dibromo-1,2-diphenylethane","1,1'-(1,2-dibromoethane-1,2-diyl)dibenzene",BrC(C(Br)c1ccccc1)c2ccccc2,BrC(C(Br)c1ccccc1)c2ccccc2,"InChI=1/C14H12Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H",C14H12Br2,,,,,,GKESIQQTGWVOLH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.845,227-328-9,5791-64-0,"2,9-dimethylquino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone","2,9-dimethylquino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone",Cc1ccc2NC3=C(C(=O)C4=C(C3=O)C(=O)c5cc(C)ccc5N4)C(=O)c2c1,Cc1ccc2NC3=C(C(=O)C4=C(C3=O)C(=O)c5cc(C)ccc5N4)C(=O)c2c1,"InChI=1/C22H14N2O4/c1-9-3-5-13-11(7-9)19(25)15-17(23-13)22(28)16-18(21(15)27)24-14-6-4-10(2)8-12(14)20(16)26/h3-8H,1-2H3,(H,23,25)(H,24,26)",C22H14N2O4,,,,,,NRJPXRSODWVILF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.848,227-332-0,5793-85-1,Calcium phthalate,calcium phthalate,[Ca+2].[O-]C(=O)c1ccccc1C(=O)[O-],[Ca+2].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.Ca/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2",C8H6O4.Ca,,,,,,PYSZASIZWHHPHJ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.852,227-336-2,6/03/5794,"(1R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane","2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane",CC1(C)[C@@H]2CCC(C2)C1=C,CC1(C)[C@@H]2CCC(C2)C1=C,"InChI=1/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,,,,,,CRPUJAZIXJMDBK-YGPZHTELSA-N,,,,,,,,,,,
100.024.855,227-339-9,5794-91-2,"2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine","2,4,6-tripyrrolidin-1-yl-1,3,5-triazine",C1CCN(C1)c2nc(nc(n2)N3CCCC3)N4CCCC4,C1CCN(C1)c2nc(nc(n2)N3CCCC3)N4CCCC4,InChI=1/C15H24N6/c1-2-8-19(7-1)13-16-14(20-9-3-4-10-20)18-15(17-13)21-11-5-6-12-21/h1-12H2,C15H24N6,,,,,,YYQRNQDOTOKYJU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.857,227-342-5,5796-14-5,3-hydroxy-L-tyrosine hydrochloride,3-hydroxytyrosine hydrochloride,Cl.N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,Cl.N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,"InChI=1/C9H11NO4.ClH/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;/h1-2,4,6,11-12H,3,10H2,(H,13,14);1H",C9H11NO4.ClH,,,,,,IIYCFYBNWUGFSA-RGMNGODLSA-N,,,,,,,,,,,
100.024.858,227-343-0,5796-17-8,3-hydroxy-D-tyrosine,3-hydroxytyrosine,N[C@H](Cc1ccc(O)c(O)c1)C(=O)O,N[C@H](Cc1ccc(O)c(O)c1)C(=O)O,"InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",C9H11NO4,,,,,,WTDRDQBEARUVNC-ZCFIWIBFSA-N,,,,,,,,,,,
100.039.197,243-133-1,19525-59-8,Potassium N-phenylglycinate,potassium anilinoacetate,[K+].[O-]C(=O)CNc1ccccc1,[K+].[O-]C(=O)CNc1ccccc1,"InChI=1/C8H9NO2.K/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);/q;+1/p-1",C8H9NO2.K,,,,,,JINONCVJYBHUCP-UHFFFAOYSA-M,,,,,,,,,,,
100.039.202,243-138-9,19532-03-7,"Sodium hydrogen 2-aminonaphthalene-1,5-disulphonate","sodium hydrogen 2-aminonaphthalene-1,5-disulfonate",[Na+].Nc1ccc2c(cccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc2c(cccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.Na/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2",C10H9NO6S2.Na,,,,,,NBXIPKKZZYZDKR-UHFFFAOYSA-L,,,,,,,,,,,
100.039.207,243-144-1,19544-67-3,Calcium di(naphthalene-1-sulphonate),calcium dinaphthalene-1-sulfonate,[Ca+2].[O-]S(=O)(=O)c1cccc2ccccc12.[O-]S(=O)(=O)c3cccc4ccccc34,[Ca+2].[O-]S(=O)(=O)c1cccc2ccccc12.[O-]S(=O)(=O)c3cccc4ccccc34,"InChI=1/2C10H8O3S.Ca/c2*11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h2*1-7H,(H,11,12,13);/q;;+2/p-2",C10H8O3S.1/2Ca,,,,,,CKJFPVNRRHVMKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.039.210,243-147-8,19549-77-0,"2,4-dimethylheptan-4-ol","2,4-dimethylheptan-4-ol",CCCC(C)(O)CC(C)C,CCCC(C)(O)CC(C)C,"InChI=1/C9H20O/c1-5-6-9(4,10)7-8(2)3/h8,10H,5-7H2,1-4H3",C9H20O,,,,,,QKRRAXACNUNGCF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.211,243-148-3,19549-80-5,"4,6-dimethylheptan-2-one","4,6-dimethylheptan-2-one",CC(C)CC(C)CC(=O)C,CC(C)CC(C)CC(=O)C,"InChI=1/C9H18O/c1-7(2)5-8(3)6-9(4)10/h7-8H,5-6H2,1-4H3",C9H18O,,,,,,YXFDTUKUWNQPFV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.212,243-149-9,19549-83-8,"2,6-dimethylheptan-3-one","2,6-dimethylheptan-3-one",CC(C)CCC(=O)C(C)C,CC(C)CCC(=O)C(C)C,"InChI=1/C9H18O/c1-7(2)5-6-9(10)8(3)4/h7-8H,5-6H2,1-4H3",C9H18O,,,,,,HFNWDYQEGABWQS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.215,243-153-0,19550-30-2,"2,3-dimethylbutan-1-ol","2,3-dimethylbutan-1-ol",CC(C)C(C)CO,CC(C)C(C)CO,"InChI=1/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3",C6H14O,,,,,,SXSWMAUXEHKFGX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.230,243-169-8,19583-54-1,"2-ethylhexanoic acid, iron salt",-,[Fe].CCCCC(CC)C(O)=O,[Fe].CCCCC(CC)C(O)=O,"InChI=1/C8H16O2.Fe/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2",C8H16O2.xFe,,,,,,IINOHALFTZBGDN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.695,249-180-4,28712-60-9,"5,6,7,8,9,10-hexahydrocycloocta[b]pyridine","5,6,7,8,9,10-hexahydrocycloocta[b]pyridine",C1CCCc2ncccc2CC1,C1CCCc2ncccc2CC1,"InChI=1/C11H15N/c1-2-4-8-11-10(6-3-1)7-5-9-12-11/h5,7,9H,1-4,6,8H2",C11H15N,,,,,,ZCXXDEJQLTXXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.697,249-183-0,28712-62-1,"5,6,7,8-tetrahydro-3-methylquinoline","3-methyl-5,6,7,8-tetrahydroquinoline",Cc1cnc2CCCCc2c1,Cc1cnc2CCCCc2c1,"InChI=1/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3",C10H13N,,,,,,GMMKZUPOLVXWFF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.632,231-494-8,7585-41-3,Barium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,barium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ba+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,[Ba+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ba/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ba,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14735,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.632,BNZLJNRQXPJPJY-UHFFFAOYSA-L,,,,,,,,,,,
100.028.643,231-507-7,7598-91-6,Ethyl 5-hydroxy-2-methylindole-3-carboxylate,ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate,CCOC(=O)c1c(C)[nH]c2ccc(O)cc12,CCOC(=O)c1c(C)[nH]c2ccc(O)cc12,"InChI=1/C12H13NO3/c1-3-16-12(15)11-7(2)13-10-5-4-8(14)6-9(10)11/h4-6,13-14H,3H2,1-2H3",C12H13NO3,,,,,,BSNHKSUAAMJXBB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.653,231-518-7,7605-55-2,Methyl cis-2-methylcyclohexanecarboxylate,methyl 2-methylcyclohexanecarboxylate,COC(=O)[C@H]1CCCC[C@H]1C,COC(=O)[C@H]1CCCC[C@H]1C,"InChI=1/C9H16O2/c1-7-5-3-4-6-8(7)9(10)11-2/h7-8H,3-6H2,1-2H3",C9H16O2,,,,,,OKLPIZJSDADMHA-SFYZADRCSA-N,,,,,,,,,,,
100.028.670,231-537-0,7620-98-6,"Trisodium 1,1',1''-nitrilotris(ethanesulphinate)","trisodium 1,1',1''-nitrilotriethanesulfinate",[Na+].[Na+].[Na+].CC(N(C(C)S(=O)[O-])C(C)S(=O)[O-])S(=O)[O-],[Na+].[Na+].[Na+].CC(N(C(C)S(=O)[O-])C(C)S(=O)[O-])S(=O)[O-],"InChI=1/C6H15NO6S3.3Na/c1-4(14(8)9)7(5(2)15(10)11)6(3)16(12)13;;;/h4-6H,1-3H3,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3",C6H15NO6S3.3Na,,,,,,JGWFJGPVQPWRSY-UHFFFAOYSA-K,,,,,,,,,,,
100.028.674,231-541-2,7623-13-4,"2,3-dichloropropionyl chloride","2,3-dichloropropanoyl chloride",ClCC(Cl)C(=O)Cl,ClCC(Cl)C(=O)Cl,"InChI=1/C3H3Cl3O/c4-1-2(5)3(6)7/h2H,1H2",C3H3Cl3O,,,,,,JQELECXPPAOSTM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.676,231-543-3,7630-84-4,(octadecanoato-O)bis(propan-2-olato)aluminium,aluminum octadecanoate dipropan-2-olate,CCCCCCCCCCCCCCCCCC(=O)O[Al](OC(C)C)OC(C)C,CCCCCCCCCCCCCCCCCC(=O)O[Al](OC(C)C)OC(C)C,"InChI=1/C18H36O2.2C3H7O.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3(2)4;/h2-17H2,1H3,(H,19,20);2*3H,1-2H3;/q;2*-1;+3/p-1/rC24H49AlO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)29-25(27-22(2)3)28-23(4)5/h22-23H,6-21H2,1-5H3",C24H49AlO4,,,,,,LXVDSDPFRBWEFN-UHFFFAOYSA-M,,,,,,,,,,,
100.028.678,231-545-4,"7631-86-9, 112926-00-8",Silicon dioxide,dioxosilane,O=[Si]=O,O=[Si]=O,InChI=1/O2Si/c1-3-2,O2Si,Full,Joint,1000000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15556,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.678,VYPSYNLAJGMNEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.573,229-230-1,6441-91-4,Disodium 6-amino-4-hydroxy-5-[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 6-amino-4-hydroxy-5-[(4-nitro-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,"InChI=1/C16H12N4O9S2.2Na/c17-11-3-1-8-5-10(30(24,25)26)7-13(21)15(8)16(11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H12N4O9S2.2Na,,,,,,ARZVLGVDYAMAFX-UHFFFAOYSA-L,,,,,,,,,,,
100.026.578,229-235-9,6442-00-8,"Trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium 4-{[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]diazenyl}-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N5/N=C(/C([O-])=O)C(N=Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)C5=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N5/N=C(/C([O-])=O)C(N=Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)C5=O,"InChI=1/C24H17N5O9S3.3Na/c1-12-2-11-17-20(21(12)41(36,37)38)39-22(25-17)13-3-5-14(6-4-13)26-27-18-19(24(31)32)28-29(23(18)30)15-7-9-16(10-8-15)40(33,34)35;;;/h2-11,18H,1H3,(H,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",C24H17N5O9S3.3Na,,,,,,NYNDYBLXCWXHKE-UHFFFAOYSA-K,,,,,,,,,,,
100.026.584,229-242-7,6443-92-1,(Z)-hept-2-ene,hept-2-ene,CCCC\\C=C/C,CCCC\C=C/C,"InChI=1/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3",C7H14,,,,,,OTTZHAVKAVGASB-HYXAFXHYSA-N,,,,,,,,,,,
100.026.597,229-256-3,6452-61-5,Dibutyldiphenylstannane,dibutyl(diphenyl)stannane,CCCC[Sn](CCCC)(c1ccccc1)c2ccccc2,CCCC[Sn](CCCC)(c1ccccc1)c2ccccc2,"InChI=1/2C6H5.2C4H9.Sn/c2*1-2-4-6-5-3-1;2*1-3-4-2;/h2*1-5H;2*1,3-4H2,2H3;/rC20H28Sn/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3",C20H28Sn,,,,,,DTYWIPLKZHQUMW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.598,229-257-9,6452-71-7,Oxprenolol,1-[2-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1ccccc1OCC=C,CC(C)NCC(O)COc1ccccc1OCC=C,"InChI=1/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",C15H23NO3,,,,,,CEMAWMOMDPGJMB-UHFFFAOYSA-N,Positive,AU220906;EQ312801|EQ312802|EQ312803|EQ312804|EQ312805|EQ312806,[M+H]+;[M+H]+,CIDRAMP 20.3-30.5;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,195.0916:72.08:209.1068;266.1756:72.0808:225.1363|72.0808:116.1071:56.0496|72.0808:56.0496:58.0652|72.0808:56.0496:58.0652|72.0808:56.0496:58.0653|56.0496:72.0808:58.0652,Athens_Univ;Eawag,,,,,
100.026.604,229-264-7,6457-30-3,8-(isopropyl)quinoline,8-isopropylquinoline,CC(C)c1cccc2cccnc12,CC(C)c1cccc2cccnc12,"InChI=1/C12H13N/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h3-9H,1-2H3",C12H13N,,,,,,FAHUZGNYQXPESZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.606,229-266-8,6459-59-2,DL-histidine monohydrochloride,histidine hydrochloride,Cl.NC(Cc1c[nH]cn1)C(=O)O,Cl.NC(Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H",C6H9N3O2.ClH,,,,,,QZNNVYOVQUKYSC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.804,219-584-5,2467-16-5,Tricyclohexyl orthoborate,tricyclohexyl borate,C1CCC(CC1)OB(OC2CCCCC2)OC3CCCCC3,C1CCC(CC1)OB(OC2CCCCC2)OC3CCCCC3,"InChI=1/C18H33BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h16-18H,1-15H2",C18H33BO3,,,,,,BOOITXALNJLNMB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.257,223-381-7,4/11/3863,"3,4-difluoroaniline","3,4-difluoroaniline",Nc1ccc(F)c(F)c1,Nc1ccc(F)c(F)c1,"InChI=1/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2",C6H5F2N,,,,,,AXNUZKSSQHTNPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.261,223-385-9,3865-35-8,Dimethylbis(palmitoyloxy)stannane,dimethyl[bis(palmitoyloxy)]stannane,CCCCCCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/2C16H32O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h2*2-15H2,1H3,(H,17,18);2*1H3;/q;;;;+2/p-2/rC34H68O4Sn/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)37-39(3,4)38-34(36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-32H2,1-4H3",C34H68O4Sn,,,,,,HLSQYZYSQQBWSP-UHFFFAOYSA-L,,,,,,,,,,,
100.021.263,223-388-5,3/07/3870,"9-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate","2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,"InChI=1/C26H33FO7/c1-14(28)32-13-20(31)26-21(33-22(2,3)34-26)11-18-17-7-6-15-10-16(29)8-9-23(15,4)25(17,27)19(30)12-24(18,26)5/h8-10,17-19,21,30H,6-7,11-13H2,1-5H3",C26H33FO7,,,,,,VOBDXTSTTMAKHK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.266,223-391-1,3871-50-9,Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate,sodium {ethyl[(heptadecafluorooctyl)sulfonyl]amino}acetate,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H8F17NO4S.Na/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;/h2-3H2,1H3,(H,31,32);/q;+1/p-1",C12H8F17NO4S.Na,,,,,,XNRRVUAVPGUTPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.021.270,223-395-3,3874-54-2,4-chloro-4'-fluorobutyrophenone,4-chloro-1-(4-fluorophenyl)butan-1-one,Fc1ccc(cc1)C(=O)CCCCl,Fc1ccc(cc1)C(=O)CCCCl,"InChI=1/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2",C10H10ClFO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16751,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.270,HXAOUYGZEOZTJO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.275,223-401-4,3876-97-9,"1,2,8-trimethylnaphthalene","1,2,8-trimethylnaphthalene",Cc1ccc2cccc(C)c2c1C,Cc1ccc2cccc(C)c2c1C,"InChI=1/C13H14/c1-9-7-8-12-6-4-5-10(2)13(12)11(9)3/h4-8H,1-3H3",C13H14,,,,,,BVGOHNFOXOLDAO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.278,223-405-6,3878-41-9,2-(benzylthio)ethanol,2-(benzylsulfanyl)ethanol,OCCSCc1ccccc1,OCCSCc1ccccc1,"InChI=1/C9H12OS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2",C9H12OS,,,,,,ANMHSIXPUAKNLM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.283,223-410-3,3881-14-9,Triethyloctadecylammonium bromide,"N,N,N-triethyloctadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC,[Br-].CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC,"InChI=1/C24H52N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(6-2,7-3)8-4;/h5-24H2,1-4H3;1H/q+1;/p-1",C24H52N.Br,,,,,,QHTJNIWEAQKWRP-UHFFFAOYSA-M,,,,,,,,,,,
100.021.285,223-412-4,3882-38-0,N-methylmorphinan,17-methylmorphinan,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccccc34,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccccc34,"InChI=1/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3",C17H23N,,,,,,IHBSVVZENGBQDY-BBWFWOEESA-N,,,,,,,,,,,
100.021.286,223-414-5,3882-46-0,"5H-indeno[1,2-b]pyridin-5-one","5H-indeno[1,2-b]pyridin-5-one",O=C1c2ccccc2c3ncccc13,O=C1c2ccccc2c3ncccc13,InChI=1/C12H7NO/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11/h1-7H,C12H7NO,,,,,,LAHFQGLEIGIEMT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.288,223-416-6,3882-98-2,"4,5-dihydrothiazol-2-amine monohydrochloride","4,5-dihydro-1,3-thiazol-2-amine hydrochloride",Cl.NC1=NCCS1,Cl.NC1=NCCS1,"InChI=1/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H",C3H6N2S.ClH,,,,,,CODJLHDDIDUKMD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.291,223-419-2,3884-71-7,5-bromopentan-2-one,5-bromopentan-2-one,CC(=O)CCCBr,CC(=O)CCCBr,"InChI=1/C5H9BrO/c1-5(7)3-2-4-6/h2-4H2,1H3",C5H9BrO,,,,,,HTKABMPGOHRVCT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.295,223-423-4,3886-69-9,D-a-methylbenzylamine,1-phenylethanamine,CC(N)c1ccccc1,CC(N)c1ccccc1,"InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3",C8H11N,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11438,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.295,RQEUFEKYXDPUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.174,219-990-2,4/10/2593,Sodium 2-(anilinocarbonyl)phenolate,sodium 2-(phenylcarbamoyl)phenolate,[Na+].[O-]c1ccccc1C(=O)Nc2ccccc2,[Na+].[O-]c1ccccc1C(=O)Nc2ccccc2,"InChI=1/C13H11NO2.Na/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10;/h1-9,15H,(H,14,16);/q;+1/p-1",C13H11NO2.Na,,,,,,DTWQANAKTCXALV-UHFFFAOYSA-M,,,,,,,,,,,
100.018.178,219-994-4,2595-97-3,D-allose,D-allose,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-BGPJRJDNSA-N,,,,,,,,,,,
100.028.264,231-090-1,7436-62-6,(R)-2-amino-3-benzylthio-N-(4-nitrophenyl)propionamide,S-benzyl-N-(4-nitrophenyl)cysteinamide,N[C@@H](CSCc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],N[C@@H](CSCc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)",C16H17N3O3S,,,,,,HOZQMLJHNCMSRC-HNNXBMFYSA-N,,,,,,,,,,,
100.028.265,231-091-7,7437-35-6,"5,5,14,14-tetrabutyl-7,12-dioxo-6,13-dioxa-5,14-distannaoctadecane","5,5,14,14-tetrabutyl-7,12-dioxo-6,13-dioxa-5,14-distannaoctadecane",CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C6H10O4.6C4H9.2Sn/c7-5(8)3-1-2-4-6(9)10;6*1-3-4-2;;/h1-4H2,(H,7,8)(H,9,10);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC30H62O4Sn2/c1-7-13-23-35(24-14-8-2,25-15-9-3)33-29(31)21-19-20-22-30(32)34-36(26-16-10-4,27-17-11-5)28-18-12-6/h7-28H2,1-6H3",C30H62O4Sn2,,,,,,PLWUYEKZZZRFPA-UHFFFAOYSA-L,,,,,,,,,,,
100.028.267,231-093-8,7438-18-8,"2,4-dimethoxybenzenediazonium tetrafluoroborate","2,4-dimethoxybenzenediazonium tetrafluoroborate",COc1ccc([N+]#N)c(OC)c1.F[B-](F)(F)F,COc1ccc([N+]#N)c(OC)c1.F[B-](F)(F)F,"InChI=1/C8H9N2O2.BF4/c1-11-6-3-4-7(10-9)8(5-6)12-2;2-1(3,4)5/h3-5H,1-2H3;/q+1;-1",C8H9N2O2.BF4,,,,,,LTDJYIPBVOYGDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.270,231-096-4,7439-89-6,Iron,iron(2+),[Fe],[Fe],InChI=1/Fe/q+2,Fe,Full,Joint,10000000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15429,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.270,XEEYBQQBJWHFJM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.273,231-100-4,7439-92-1,Lead,-,[Pb],[Pb],InChI=1/Pb.2H/q+4;;/rH2Pb/h1H2/q+4,Pb,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16063,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.273,WABPQHHGFIMREM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.275,231-103-0,7439-94-3,Lutetium,lutetium,[Lu],[Lu],InChI=1/Lu/q+3,Lu,,,,,,OHSVLFRHMCKCQY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.032,227-535-4,5873-57-4,Sodium hydrogen fumarate,sodium hydrogen but-2-enedioate,[Na+].[O-]C(=O)\\C=C\\C(=O)[O-],[Na+].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-2",C4H4O4.Na,,,,,,VRVKOZSIJXBAJG-TYYBGVCCSA-L,,,,,,,,,,,
100.025.045,227-550-6,5878-33-1,"Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1,2,3,4-tetrahydro-1-phenylnaphthalene-1,4-dicarboxylate","bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1-phenyl-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate",CN1C2CCC1CC(C2)OC(=O)C3CCC(C(=O)OC4CC5CCC(C4)N5C)(c6ccccc6)c7ccccc37,CN1C2CCC1CC(C2)OC(=O)C3CCC(C(=O)OC4CC5CCC(C4)N5C)(c6ccccc6)c7ccccc37,"InChI=1/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3",C34H42N2O4,,,,,,GERIGMSHTUAXSI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.050,227-555-3,5882-44-0,"N,N-dimethylanilinium chloride","N,N-dimethylanilinium chloride",[Cl-].C[NH+](C)c1ccccc1,[Cl-].C[NH+](C)c1ccccc1,"InChI=1/C8H11N.ClH/c1-9(2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H",C8H11N.ClH,,,,,,WOAZEKPXTXCPFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.053,227-559-5,6/05/5883,"2-oxo-cyclohexane-1,1,3,3-tetrapropionitrile","3,3',3'',3'''-(2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanenitrile",O=C1C(CCC#N)(CCC#N)CCCC1(CCC#N)CCC#N,O=C1C(CCC#N)(CCC#N)CCCC1(CCC#N)CCC#N,"InChI=1/C18H22N4O/c19-12-2-8-17(9-3-13-20)6-1-7-18(16(17)23,10-4-14-21)11-5-15-22/h1-11H2",C18H22N4O,,,,,,CVIHOXZFBYQKBG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.054,227-560-0,5884-22-0,"1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium chloride","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolinium chloride",[Cl-].COc1ccc(CC2=[NH+]CCc3cc(OC)c(OC)cc23)cc1OC,[Cl-].COc1ccc(CC2=[NH+]CCc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C20H23NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12H,7-9H2,1-4H3;1H",C20H23NO4.ClH,,,,,,LRUSBWIBSILYNE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.059,227-565-8,5891-21-4,5-chloropentan-2-one,5-chloropentan-2-one,CC(=O)CCCCl,CC(=O)CCCCl,"InChI=1/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3",C5H9ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17385,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.059,XVRIEWDDMODMGA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.065,227-572-6,5892-47-7,"2,4,6-tri-sec-butylphenol","2,4,6-tri-sec-butylphenol",CCC(C)c1cc(C(C)CC)c(O)c(c1)C(C)CC,CCC(C)c1cc(C(C)CC)c(O)c(c1)C(C)CC,"InChI=1/C18H30O/c1-7-12(4)15-10-16(13(5)8-2)18(19)17(11-15)14(6)9-3/h10-14,19H,7-9H2,1-6H3",C18H30O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6343,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.065,LAVMWOGIDKQCDK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.066,227-573-1,5892-48-8,Sodium hydrogen (3-acetamido-4-hydroxyphenyl)arsonate,sodium hydrogen (3-acetamido-4-hydroxyphenyl)arsonate,[Na+].CC(=O)Nc1cc(ccc1O)[As](=O)([O-])[O-],[Na+].CC(=O)Nc1cc(ccc1O)[As](=O)([O-])[O-],"InChI=1/C8H10AsNO5.Na/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);/q;+1/p-2",C8H10AsNO5.Na,,,,,,UYQUMYMLNDDPIP-UHFFFAOYSA-L,,,,,,,,,,,
100.025.070,227-577-3,5894-79-1,Methyl formylphenylacetate,methyl 3-oxo-2-phenylpropanoate,COC(=O)C(C=O)c1ccccc1,COC(=O)C(C=O)c1ccccc1,"InChI=1/C10H10O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7,9H,1H3",C10H10O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8192,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.070,ORJFSDFCHJQCOH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.668,227-134-4,5676-57-3,5-methoxy-2-methylbenzoxazole,"5-methoxy-2-methyl-1,3-benzoxazole",COc1ccc2oc(C)nc2c1,COc1ccc2oc(C)nc2c1,"InChI=1/C9H9NO2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3",C9H9NO2,,,,,,WCXSVOWHNXWHRT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.671,227-138-6,5680-61-5,Diethyl phthalimidomalonate,"diethyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)malonate",CCOC(=O)C(N1C(=O)c2ccccc2C1=O)C(=O)OCC,CCOC(=O)C(N1C(=O)c2ccccc2C1=O)C(=O)OCC,"InChI=1/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3",C15H15NO6,,,,,,SZNGBHWKVWEBKW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.698,249-184-6,28715-26-6,"4,7-dimethylbenzofuran","4,7-dimethyl-1-benzofuran",Cc1ccc(C)c2ccoc12,Cc1ccc(C)c2ccoc12,"InChI=1/C10H10O/c1-7-3-4-8(2)10-9(7)5-6-11-10/h3-6H,1-2H3",C10H10O,,,,,,PFXVPEGRXODMIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.707,249-194-0,28730-17-8,"2,4,5-trimethyl-3-furanilide","2,4,5-trimethyl-N-phenyl-3-furamide",Cc1oc(C)c(C(=O)Nc2ccccc2)c1C,Cc1oc(C)c(C(=O)Nc2ccccc2)c1C,"InChI=1/C14H15NO2/c1-9-10(2)17-11(3)13(9)14(16)15-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,15,16)",C14H15NO2,,,,,,ZWJNEYVWPYIKMB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.709,249-196-1,28749-00-0,"1,4,5,6-tetrahydro-3-phenylcyclopentapyrazole","3-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole",C1Cc2[nH]nc(c2C1)c3ccccc3,C1Cc2[nH]nc(c2C1)c3ccccc3,"InChI=1/C12H12N2/c1-2-5-9(6-3-1)12-10-7-4-8-11(10)13-14-12/h1-3,5-6H,4,7-8H2,(H,13,14)",C12H12N2,,,,,,VHFKRPJDQQZAOP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.714,249-201-7,28757-00-8,Diisopropylnaphthalenesulphonic acid,"2,3-diisopropylnaphthalene-1-sulfonic acid",CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)O,CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)O,"InChI=1/C16H20O3S/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4/h5-11H,1-4H3,(H,17,18,19)",C16H20O3S,,,,,,LWEAHXKXKDCSIE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.719,249-206-4,28773-97-9,"1,4-diacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,4-diacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",CC(=O)N1C2NC(=O)N(C2NC1=O)C(=O)C,CC(=O)N1C2NC(=O)N(C2NC1=O)C(=O)C,"InChI=1/C8H10N4O4/c1-3(13)11-5-6(10-7(11)15)12(4(2)14)8(16)9-5/h5-6H,1-2H3,(H,9,16)(H,10,15)",C8H10N4O4,,,,,,ZUDDCMCOKPAHPV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.722,249-210-6,28777-98-2,"Dihydro-3-(octadecenyl)furan-2,5-dione","3-octadec-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCC,"InChI=1/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h17-18,20H,2-16,19H2,1H3",C22H38O3,,,,,,KAYAKFYASWYOEB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.735,249-224-2,28788-62-7,4-butylbenzoyl chloride,4-butylbenzoyl chloride,CCCCc1ccc(cc1)C(=O)Cl,CCCCc1ccc(cc1)C(=O)Cl,"InChI=1/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3",C11H13ClO,,,,,,OUOWCSJYDCPVDM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.738,249-227-9,28797-48-0,"11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one","11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one",ClCC(=O)N1c2ccccc2C(=O)Nc3cccnc13,ClCC(=O)N1c2ccccc2C(=O)Nc3cccnc13,"InChI=1/C14H10ClN3O2/c15-8-12(19)18-11-6-2-1-4-9(11)14(20)17-10-5-3-7-16-13(10)18/h1-7H,8H2,(H,17,20)",C14H10ClN3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18580,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.738,RMBZFWLMYVPNGI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.433,224-675-8,4443-26-9,"1,3-dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid","6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid",OC(=O)CCCCCN1C(=O)c2ccccc2C1=O,OC(=O)CCCCCN1C(=O)c2ccccc2C1=O,"InChI=1/C14H15NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h3-4,6-7H,1-2,5,8-9H2,(H,16,17)",C14H15NO4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6137,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.433,QJDSLDWVMCWWCO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.440,224-683-1,1/06/4445,Octadecylcyclohexane,octadecylcyclohexane,CCCCCCCCCCCCCCCCCCC1CCCCC1,CCCCCCCCCCCCCCCCCCC1CCCCC1,"InChI=1/C24H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h24H,2-23H2,1H3",C24H48,,,,,,MWWVNZNVTGBKQO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.450,224-694-1,4450-94-6,Ammonium dihydrogen citrate,ammonium dihydrogen citrate,[NH4+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3/p-2",C6H8O7.H3N,,,,,,BWKOZPVPARTQIV-UHFFFAOYSA-L,,,,,,,,,,,
100.022.451,224-695-7,4453-82-1,a-cyclohexylcyclohexanemethanol,dicyclohexylmethanol,OC(C1CCCCC1)C2CCCCC2,OC(C1CCCCC1)C2CCCCC2,"InChI=1/C13H24O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-14H,1-10H2",C13H24O,,,,,,DEFUSPNGFCCTEU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.454,224-698-3,1/05/4454,"3,4-dihydro-2-methoxy-2H-pyran","2-methoxy-3,4-dihydro-2H-pyran",COC1CCC=CO1,COC1CCC=CO1,"InChI=1/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3",C6H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18652,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.454,XCYWUZHUTJDTGS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.468,224-713-3,4460-86-0,"2,4,5-trimethoxybenzaldehyde","2,4,5-trimethoxybenzaldehyde",COc1cc(OC)c(C=O)cc1OC,COc1cc(OC)c(C=O)cc1OC,"InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3",C10H12O4,,,,,,IAJBQAYHSQIQRE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.471,224-717-5,4461-33-0,Benzoyl isocyanate,benzoyl isocyanate,O=C=NC(=O)c1ccccc1,O=C=NC(=O)c1ccccc1,InChI=1/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H,C8H5NO2,,,,,,LURYMYITPCOQAU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.000,227-500-3,5858-88-8,Barium 5-[(2-chlorophenyl)azo]-6-hydroxynaphthalene-2-sulphonate,barium bis{5-[(2-chlorophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate},[Ba+2].Clc3ccccc3N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc3c(c1)ccc(O)c3N=Nc2ccccc2Cl,[Ba+2].Clc3ccccc3N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc3c(c1)ccc(O)c3N=Nc2ccccc2Cl,"InChI=1/2C16H11ClN2O4S.Ba/c2*17-13-3-1-2-4-14(13)18-19-16-12-7-6-11(24(21,22)23)9-10(12)5-8-15(16)20;/h2*1-9,20H,(H,21,22,23);/q;;+2/p-2",C16H11ClN2O4S.1/2Ba,,,,,,LFHHQQPDUWHUAA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.001,227-501-9,5858-92-4,Sodium 5-[[3-(anilinosulphonyl)-4-methylphenyl]azo]naphthalene-2-sulphonate,sodium 5-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c3ccc4c(N=Nc1ccc(C)c(c1)S(=O)(=O)Nc2ccccc2)cccc4c3,[Na+].[O-]S(=O)(=O)c3ccc4c(N=Nc1ccc(C)c(c1)S(=O)(=O)Nc2ccccc2)cccc4c3,"InChI=1/C23H19N3O5S2.Na/c1-16-10-11-19(15-23(16)32(27,28)26-18-7-3-2-4-8-18)24-25-22-9-5-6-17-14-20(33(29,30)31)12-13-21(17)22;/h2-15,26H,1H3,(H,29,30,31);/q;+1/p-1",C23H19N3O6S2.Na,,,,,,XASXOPWJXKCJPB-UHFFFAOYSA-M,,,,,,,,,,,
100.025.009,227-510-8,5863-44-5,"2,4-bis(2,4-xylylazo)resorcinol","2,4-bis[(2,4-dimethylphenyl)diazenyl]benzene-1,3-diol",Cc1ccc(N=Nc2ccc(O)c(N=Nc3ccc(C)cc3C)c2O)c(C)c1,Cc1ccc(N=Nc2ccc(O)c(N=Nc3ccc(C)cc3C)c2O)c(C)c1,"InChI=1/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,27-28H,1-4H3",C22H22N4O2,,,,,,WMIICSQDNIXFKP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.016,227-518-1,5867-18-5,"4-methoxy-3-[[3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]benzoic acid",4-methoxy-3-{[3-(4-methoxyphenyl)-3-oxopropanoyl]amino}benzoic acid,COc1ccc(cc1)C(=O)CC(=O)Nc2cc(ccc2OC)C(=O)O,COc1ccc(cc1)C(=O)CC(=O)Nc2cc(ccc2OC)C(=O)O,"InChI=1/C18H17NO6/c1-24-13-6-3-11(4-7-13)15(20)10-17(21)19-14-9-12(18(22)23)5-8-16(14)25-2/h3-9H,10H2,1-2H3,(H,19,21)(H,22,23)",C18H17NO6,,,,,,ODEIFSHWKMXEGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.018,227-520-2,4/06/5868,Fentonium bromide,8-(2-biphenyl-4-yl-2-oxoethyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane bromide,[Br-].C[N+]1(CC(=O)c2ccc(cc2)c3ccccc3)C4CCC1CC(C4)OC(=O)[C@H](CO)c5ccccc5,[Br-].C[N+]1(CC(=O)c2ccc(cc2)c3ccccc3)C4CCC1CC(C4)OC(=O)[C@H](CO)c5ccccc5,"InChI=1/C31H34NO4.BrH/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24;/h2-15,26-29,33H,16-21H2,1H3;1H/q+1;/p-1",C31H34NO4.Br,,,,,,MPLNGQBULSHWQW-QVAORWODSA-M,,,,,,,,,,,
100.025.021,227-523-9,5870-61-1,"2-bromo-1,1-dichloroethylene","2-bromo-1,1-dichloroethene",ClC(=CBr)Cl,ClC(=CBr)Cl,InChI=1/C2HBrCl2/c3-1-2(4)5/h1H,C2HBrCl2,,,,,,OEKZZIRTAIOPIP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.023,227-526-5,5870-93-9,Heptyl butyrate,heptyl butyrate,CCCCCCCOC(=O)CCC,CCCCCCCOC(=O)CCC,"InChI=1/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3",C11H22O2,,,,,,JPQHLIYIQARLQM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.625,227-086-4,5638-76-6,Betahistine,N-methyl-2-pyridin-2-ylethanamine,CNCCc1ccccn1,CNCCc1ccccn1,"InChI=1/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3",C8H12N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18902,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.625,UUQMNUMQCIQDMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.627,227-089-0,2/10/5650,4-isopropyl-N-phenylaniline,4-isopropyl-N-phenylaniline,CC(C)c1ccc(Nc2ccccc2)cc1,CC(C)c1ccc(Nc2ccccc2)cc1,"InChI=1/C15H17N/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-12,16H,1-2H3",C15H17N,,,,,,HKQBGDOVZRQTMC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.629,227-091-1,5650-40-8,2-hydroxypropiophenone,2-hydroxy-1-phenylpropan-1-one,O=C(C(C)O)c1ccccc1,O=C(C(C)O)c1ccccc1,"InChI=1/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,10H,1H3",C9H10O2,,,,,,WLVPRARCUSRDNI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.631,227-093-2,5651-26-3,Silver(1+) acrylate,silver(1+) acrylate,[Ag+].[O-]C(=O)C=C,[Ag+].[O-]C(=O)C=C,"InChI=1/C3H4O2.Ag/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1",C3H4O2.Ag,,,,,,CIKKJIBYRMZFNO-UHFFFAOYSA-M,,,,,,,,,,,
100.024.634,227-096-9,5653-46-3,"3,4-dimethoxysalicylic acid","2-hydroxy-3,4-dimethoxybenzoic acid",COc1ccc(C(=O)O)c(O)c1OC,COc1ccc(C(=O)O)c(O)c1OC,"InChI=1/C9H10O5/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4,10H,1-2H3,(H,11,12)",C9H10O5,,,,,,CJFQIVAOBBTJCI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.643,227-107-7,5659-44-9,"1,1,2,3,4-pentachlorobuta-1,3-diene","1,1,2,3,4-pentachlorobuta-1,3-diene",Cl/C(Cl)=C(/Cl)C(Cl)=CCl,Cl/C(Cl)=C(/Cl)C(Cl)=CCl,InChI=1/C4HCl5/c5-1-2(6)3(7)4(8)9/h1H,C4HCl5,,,,,,LMCCPYJNBKRUNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.646,227-110-3,5660-60-6,"2-styryl-1,3-dioxolane","2-(2-phenylvinyl)-1,3-dioxolane",C1COC(O1)\\C=C\\c2ccccc2,C1COC(O1)\C=C\c2ccccc2,"InChI=1/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2",C11H12O2,,,,,,JQLASNFFJHGQTK-VOTSOKGWSA-N,,,,,,,,,,,
100.024.651,227-116-6,5662-95-3,"Cyclopentane-1,1-diacetic anhydride","2,2'-{oxybis[(2-oxoethane-2,1-diyl)cyclopentane-1,1-diyl]}diacetic acid",OC(=O)CC1(CC(=O)OC(=O)CC2(CC(=O)O)CCCC2)CCCC1,OC(=O)CC1(CC(=O)OC(=O)CC2(CC(=O)O)CCCC2)CCCC1,"InChI=1/C18H26O7/c19-13(20)9-17(5-1-2-6-17)11-15(23)25-16(24)12-18(10-14(21)22)7-3-4-8-18/h1-12H2,(H,19,20)(H,21,22)",C9H12O3,,,,,,CACMWTCOVZOJTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.182,219-999-1,2598-29-0,8-quinolyl acetate,quinolin-8-yl acetate,CC(=O)Oc1cccc2cccnc12,CC(=O)Oc1cccc2cccnc12,"InChI=1/C11H9NO2/c1-8(13)14-10-6-2-4-9-5-3-7-12-11(9)10/h2-7H,1H3",C11H9NO2,,,,,,MZPCTRNDYNHZQE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.184,220-001-1,1/01/2599,Hexadecyl myristate,hexadecyl myristate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,"InChI=1/C30H60O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h3-29H2,1-2H3",C30H60O2,,,,,,QAKXLTNAJLFSQC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.192,220-010-0,2601-98-1,Magnesium dipalmitate,magnesium dihexadecanoate,[Mg+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Mg,,,,,,ABSWXCXMXIZDSN-UHFFFAOYSA-L,,,,,,,,,,,
100.018.196,220-014-2,3/10/2603,Methyl phenylcarbamate,methyl phenylcarbamate,COC(=O)Nc1ccccc1,COC(=O)Nc1ccccc1,"InChI=1/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)",C8H9NO2,,,,,,IAGUPODHENSJEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.199,220-017-9,2605-44-9,Cadmium dilaurate,cadmium didodecanoate,[Cd+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Cd,,,,,,ITQVEYJXZXMBTR-UHFFFAOYSA-L,,,,,,,,,,,
100.018.210,220-029-4,2610-63-1,Isopropyl m-tolylcarbamate,isopropyl (3-methylphenyl)carbamate,CC(C)OC(=O)Nc1cccc(C)c1,CC(C)OC(=O)Nc1cccc(C)c1,"InChI=1/C11H15NO2/c1-8(2)14-11(13)12-10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,12,13)",C11H15NO2,,,,,,DFBONKKNEQNADO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.216,220-036-2,2611-82-7,"Trisodium 1-(1-naphthylazo)-2-hydroxynaphthalene-4',6,8-trisulphonate","trisodium 7-hydroxy-8-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].Oc1ccc2cc(cc(c2c1N=Nc3ccc(c4ccccc34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Oc1ccc2cc(cc(c2c1N=Nc3ccc(c4ccccc34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3",C20H14N2O10S3.3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10401,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.216,SWGJCIMEBVHMTA-UHFFFAOYSA-K,,,,,,,,,,,
100.015.513,217-064-2,1733-12-6,Cresol red,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-methylphenol)",Cc1cc(ccc1O)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(C)c4,Cc1cc(ccc1O)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(C)c4,"InChI=1/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3",C21H18O5S,,,,,,OBRMNDMBJQTZHV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.527,217-079-4,1735-48-4,"1,1,1,2,2,3,4,5,5,6,6,6-dodecafluoro-3,4-bis(trifluoromethyl)hexane","1,1,1,2,2,3,4,5,5,6,6,6-dodecafluoro-3,4-bis(trifluoromethyl)hexane",FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F,"InChI=1/C8F18/c9-1(5(15,16)17,3(11,12)7(21,22)23)2(10,6(18,19)20)4(13,14)8(24,25)26",C8F18,,,,,,AILNJPONTDNFHN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.530,217-083-6,1736-60-3,Allylpentafluorobenzene,"1-allyl-2,3,4,5,6-pentafluorobenzene",Fc1c(F)c(F)c(CC=C)c(F)c1F,Fc1c(F)c(F)c(CC=C)c(F)c1F,"InChI=1/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,1,3H2",C9H5F5,,,,,,YBDBTBVNQQBHGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.532,217-085-7,1737-10-6,"a,a,ß,ß-tetrafluoro-m-methylphenetole","1-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene",Cc1cccc(OC(F)(F)C(F)F)c1,Cc1cccc(OC(F)(F)C(F)F)c1,"InChI=1/C9H8F4O/c1-6-3-2-4-7(5-6)14-9(12,13)8(10)11/h2-5,8H,1H3",C9H8F4O,,,,,,LZZXOCVBAKJDOO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.535,217-088-3,1737-93-5,"3,5-dichloro-2,4,6-trifluoropyridine","3,5-dichloro-2,4,6-trifluoropyridine",Fc1nc(F)c(Cl)c(F)c1Cl,Fc1nc(F)c(Cl)c(F)c1Cl,InChI=1/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9,C5Cl2F3N,,,,,,PKSORSNCSXBXOT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.539,217-093-0,1738-69-8,Benzyl L-leucinate,benzyl L-leucinate,CC(C)C[C@H](N)C(=O)OCc1ccccc1,CC(C)C[C@H](N)C(=O)OCc1ccccc1,"InChI=1/C13H19NO2/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3",C13H19NO2,,,,,,MBRRYUQWSOODEO-LBPRGKRZSA-N,,,,,,,,,,,
100.015.543,217-097-2,1738-86-9,4-nitrophenyl N-[(phenylmethoxy)carbonyl]glycinate,4-nitrophenyl N-[(benzyloxy)carbonyl]glycinate,[O-][N+](=O)c1ccc(OC(=O)CNC(=O)OCc2ccccc2)cc1,[O-][N+](=O)c1ccc(OC(=O)CNC(=O)OCc2ccccc2)cc1,"InChI=1/C16H14N2O6/c19-15(24-14-8-6-13(7-9-14)18(21)22)10-17-16(20)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,20)",C16H14N2O6,,,,,,LHFNPUGRSYOPLF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.549,217-103-3,1740-54-1,Sebacamide,sebacamide,NC(=O)CCCCCCCCC(=O)N,NC(=O)CCCCCCCCC(=O)N,"InChI=1/C10H20N2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2,(H2,11,13)(H2,12,14)",C10H20N2O2,,,,,,VDBXLXRWMYNMHL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.558,217-113-8,1743-56-2,Isobutylidene(ethyl)amine,N-(2-methylpropylidene)ethanamine,CCN=CC(C)C,CCN=CC(C)C,"InChI=1/C6H13N/c1-4-7-5-6(2)3/h5-6H,4H2,1-3H3",C6H13N,,,,,,BBFMJBUMAHUJAH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.674,227-141-2,5680-83-1,Benzyl (hydrazinocarbonylmethyl)carbamate,benzyl (2-hydrazino-2-oxoethyl)carbamate (non-preferred name),NNC(=O)CNC(=O)OCc1ccccc1,NNC(=O)CNC(=O)OCc1ccccc1,"InChI=1/C10H13N3O3/c11-13-9(14)6-12-10(15)16-7-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,15)(H,13,14)",C10H13N3O3,,,,,,FBXJOIKPPWLCJU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.681,227-149-6,5683-43-2,2-methyl-6-nitrobenzoxazole,"2-methyl-6-nitro-1,3-benzoxazole",Cc1oc2cc(ccc2n1)[N+](=O)[O-],Cc1oc2cc(ccc2n1)[N+](=O)[O-],"InChI=1/C8H6N2O3/c1-5-9-7-3-2-6(10(11)12)4-8(7)13-5/h2-4H,1H3",C8H6N2O3,,,,,,DPVZLXWUFYMLBK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.682,227-150-1,5683-44-3,"3-methylpentane-2,4-diol","3-methylpentane-2,4-diol",CC(O)C(C)C(C)O,CC(O)C(C)C(C)O,"InChI=1/C6H14O2/c1-4(5(2)7)6(3)8/h4-8H,1-3H3",C6H14O2,,,,,,RBQLGIKHSXQZTB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.683,227-151-7,5684-90-2,Penthrichloral,"[2-(trichloromethyl)-1,3-dioxane-5,5-diyl]dimethanol",OCC1(CO)COC(OC1)C(Cl)(Cl)Cl,OCC1(CO)COC(OC1)C(Cl)(Cl)Cl,"InChI=1/C7H11Cl3O4/c8-7(9,10)5-13-3-6(1-11,2-12)4-14-5/h5,11-12H,1-4H2",C7H11Cl3O4,,,,,,QMSJBEPHXPSJPT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.687,227-155-9,5688-82-4,"[(3,4,5-trimethoxyphenyl)methylene]malononitrile","(3,4,5-trimethoxybenzylidene)malononitrile",COc1cc(C=C(C#N)C#N)cc(OC)c1OC,COc1cc(C=C(C#N)C#N)cc(OC)c1OC,"InChI=1/C13H12N2O3/c1-16-11-5-9(4-10(7-14)8-15)6-12(17-2)13(11)18-3/h4-6H,1-3H3",C13H12N2O3,,,,,,SHANJVNUXNVEJC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.690,227-159-0,5690-24-4,"Naphthalene-1,8:4,5-tetracarboxydiimide","benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone",O=C1NC(=O)c2ccc3C(=O)NC(=O)c4ccc1c2c34,O=C1NC(=O)c2ccc3C(=O)NC(=O)c4ccc1c2c34,"InChI=1/C14H6N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-4H,(H,15,17,19)(H,16,18,20)",C14H6N2O4,,,,,,BODUWJSFPLUDMP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.698,227-167-4,5694-85-9,"2-(1-ethylpentyl)-1,3-dioxolane-4-methanol","[2-(1-ethylpentyl)-1,3-dioxolan-4-yl]methanol",CCCCC(CC)C1OCC(CO)O1,CCCCC(CC)C1OCC(CO)O1,"InChI=1/C11H22O3/c1-3-5-6-9(4-2)11-13-8-10(7-12)14-11/h9-12H,3-8H2,1-2H3",C11H22O3,,,,,,VNMRSUHVTDURNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.699,227-169-5,5696-15-1,"a-[1-(tert-butylamino)ethyl]-2,5-dimethoxybenzyl alcohol hydrochloride","2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol hydrochloride",Cl.COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C,Cl.COc1ccc(OC)c(c1)C(O)C(C)NC(C)(C)C,"InChI=1/C15H25NO3.ClH/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6;/h7-10,14,16-17H,1-6H3;1H",C15H25NO3.ClH,,,,,,URPAECSKKQLCII-UHFFFAOYSA-N,,,,,,,,,,,
100.024.700,227-170-0,5696-17-3,Epipropidine,"1,1'-bis(oxiran-2-ylmethyl)-4,4'-bipiperidine",C(C1CO1)N2CCC(CC2)C3CCN(CC4CO4)CC3,C(C1CO1)N2CCC(CC2)C3CCN(CC4CO4)CC3,"InChI=1/C16H28N2O2/c1-5-17(9-15-11-19-15)6-2-13(1)14-3-7-18(8-4-14)10-16-12-20-16/h13-16H,1-12H2",C16H28N2O2,,,,,,SNYUHPPZINRDSG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.701,227-171-6,5696-92-4,"1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene","1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene",ClC1=C(Cl)C2(Cl)C3C(C4C(c5ccccc35)C6(Cl)C(=C(Cl)C4(Cl)C6(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C(C4C(c5ccccc35)C6(Cl)C(=C(Cl)C4(Cl)C6(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,"InChI=1/C20H8Cl12/c21-11-13(23)17(27)9-7(15(11,25)19(17,29)30)5-3-1-2-4-6(5)8-10(9)18(28)14(24)12(22)16(8,26)20(18,31)32/h1-4,7-10H",C20H8Cl12,,,,,,ULBZLTIPWBXWCY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.705,227-175-8,5698-27-1,"3,7-dimethyloctanoic acid","3,7-dimethyloctanoic acid",CC(C)CCCC(C)CC(=O)O,CC(C)CCCC(C)CC(=O)O,"InChI=1/C10H20O2/c1-8(2)5-4-6-9(3)7-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)",C10H20O2,,,,,,DGGBNSXAFVNQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.711,227-182-6,5699-72-9,2-hydroxyvaleronitrile,2-hydroxypentanenitrile,CCCC(O)C#N,CCCC(O)C#N,"InChI=1/C5H9NO/c1-2-3-5(7)4-6/h5,7H,2-3H2,1H3",C5H9NO,,,,,,AANFRDGJHYLLAE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.714,227-185-2,5700-39-0,"6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane","6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane",COCCO[SiH](OCCOC)OCCOC,COCCO[SiH](OCCOC)OCCOC,"InChI=1/C9H22O6Si/c1-10-4-7-13-16(14-8-5-11-2)15-9-6-12-3/h16H,4-9H2,1-3H3",C9H22O6Si,,,,,,CIOXFKGQNIJXKF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.733,231-606-5,7650-79-5,sec-butyldiphenylphosphine,sec-butyl(diphenyl)phosphine,CCC(C)P(c1ccccc1)c2ccccc2,CCC(C)P(c1ccccc1)c2ccccc2,"InChI=1/C16H19P/c1-3-14(2)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3",C16H19P,,,,,,QWINMNANNHVXIR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.734,231-607-0,7650-84-2,Diphenylpropylphosphine,diphenyl(propyl)phosphine,CCCP(c1ccccc1)c2ccccc2,CCCP(c1ccccc1)c2ccccc2,"InChI=1/C15H17P/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3",C15H17P,,,,,,AAXGWYDSLJUQLN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.473,224-719-6,4461-41-0,2-chlorobut-2-ene,2-chlorobut-2-ene,CC(Cl)=CC,CC(Cl)=CC,"InChI=1/C4H7Cl/c1-3-4(2)5/h3H,1-2H3",C4H7Cl,,,,,,DSDHFHLZEFQSFM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.479,224-725-9,9/02/4463,"2,4-dimethylphloroglucinol","2,4-dimethylbenzene-1,3,5-triol",Cc1c(O)cc(O)c(C)c1O,Cc1c(O)cc(O)c(C)c1O,"InChI=1/C8H10O3/c1-4-6(9)3-7(10)5(2)8(4)11/h3,9-11H,1-2H3",C8H10O3,,,,,,XIRABDOOVRWLFU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.197,216-715-8,1649-18-9,Azaperone,1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one,Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3,Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3,"InChI=1/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2",C19H22FN3O,,,,,,XTKDAFGWCDAMPY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.201,216-720-5,1653-16-3,3-(iodomethyl)heptane,3-(iodomethyl)heptane,CCCCC(CC)CI,CCCCC(CC)CI,"InChI=1/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3",C8H17I,,,,,,WNPGSEJRPYSCDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.204,216-723-1,1653-31-2,Tridecan-2-ol,tridecan-2-ol,CCCCCCCCCCCC(C)O,CCCCCCCCCCCC(C)O,"InChI=1/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3",C13H28O,,,,,,HKOLRKVMHVYNGG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.205,216-724-7,1653-33-4,Tetradecan-4-ol,tetradecan-4-ol,CCCCCCCCCCC(O)CCC,CCCCCCCCCCC(O)CCC,"InChI=1/C14H30O/c1-3-5-6-7-8-9-10-11-13-14(15)12-4-2/h14-15H,3-13H2,1-2H3",C14H30O,,,,,,HRDGAIGDKJXHIU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.208,216-727-3,1653-42-5,2-ethylhexyl nitrite,2-ethylhexyl nitrite,CCCCC(CC)CON=O,CCCCC(CC)CON=O,"InChI=1/C8H17NO2/c1-3-5-6-8(4-2)7-11-9-10/h8H,3-7H2,1-2H3",C8H17NO2,,,,,,DAQIQPHKWNXNKB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.209,216-728-9,1653-75-4,2-methylbenzimidazole monohydrochloride,2-methyl-1H-benzimidazole hydrochloride,Cl.Cc1nc2ccccc2[nH]1,Cl.Cc1nc2ccccc2[nH]1,"InChI=1/C8H8N2.ClH/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H3,(H,9,10);1H",C8H8N2.ClH,,,,,,WKFYYUYQBPMMAF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.210,216-729-4,1654-86-0,Decyl decanoate,decyl decanoate,CCCCCCCCCCOC(=O)CCCCCCCCC,CCCCCCCCCCOC(=O)CCCCCCCCC,"InChI=1/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3",C20H40O2,,,,,,XAKXZZPEUKNHMA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.217,216-737-8,1655-49-8,"N2,N6-bis(2,4-dinitrophenyl)-L-lysine","N~2~,N~6~-bis(2,4-dinitrophenyl)-L-lysine",OC(=O)[C@H](CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],OC(=O)[C@H](CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H18N6O10/c25-18(26)15(20-14-7-5-12(22(29)30)10-17(14)24(33)34)3-1-2-8-19-13-6-4-11(21(27)28)9-16(13)23(31)32/h4-7,9-10,15,19-20H,1-3,8H2,(H,25,26)",C18H18N6O10,,,,,,XFVSVNWYIWINEC-HNNXBMFYSA-N,,,,,,,,,,,
100.015.220,216-740-4,1655-53-4,"N-(2,4-dinitrophenyl)-DL-methionine","N-(2,4-dinitrophenyl)methionine",OC(=O)[C@H](CCSC)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,OC(=O)[C@H](CCSC)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C11H13N3O6S/c1-21-5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h2-3,6,9,12H,4-5H2,1H3,(H,15,16)",C11H13N3O6S,,,,,,DOHZIJDJOSBJFP-VIFPVBQESA-N,,,,,,,,,,,
100.015.221,216-742-5,1655-54-5,"N-(2,4-dinitrophenyl)-3-phenyl-L-alanine","N-(2,4-dinitrophenyl)-L-phenylalanine",OC(=O)[C@H](Cc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],OC(=O)[C@H](Cc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C15H13N3O6/c19-15(20)13(8-10-4-2-1-3-5-10)16-12-7-6-11(17(21)22)9-14(12)18(23)24/h1-7,9,13,16H,8H2,(H,19,20)",C15H13N3O6,,,,,,HJQHTLAEPSKXQJ-ZDUSSCGKSA-N,,,,,,,,,,,
100.015.222,216-743-0,1655-55-6,"1-(2,4-dinitrophenyl)-L-proline","1-(2,4-dinitrophenyl)-L-proline",OC(=O)[C@@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],OC(=O)[C@@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C11H11N3O6/c15-11(16)9-2-1-5-12(9)8-4-3-7(13(17)18)6-10(8)14(19)20/h3-4,6,9H,1-2,5H2,(H,15,16)",C11H11N3O6,,,,,,MVZXUWLTGGBNHL-VIFPVBQESA-N,,,,,,,,,,,
100.015.224,216-745-1,1655-64-7,"N-(2,4-dinitrophenyl)-L-serine","N-(2,4-dinitrophenyl)serine",OC[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,OC[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C9H9N3O7/c13-4-7(9(14)15)10-6-2-1-5(11(16)17)3-8(6)12(18)19/h1-3,7,10,13H,4H2,(H,14,15)",C9H9N3O7,,,,,,SBQZBOCQYMVLTC-ZETCQYMHSA-N,,,,,,,,,,,
100.015.225,216-746-7,1655-65-8,"N-(2,4-dinitrophenyl)-L-threonine","N-(2,4-dinitrophenyl)threonine",CC(O)[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,CC(O)[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16)",C10H11N3O7,,,,,,PWOCOTZWYFGDMO-YQFNKJDISA-N,,,,,,,,,,,
100.015.231,216-753-5,1656-94-6,Bis[(3-pyridyl)methyl]amine,1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine,C(NCc1cccnc1)c2cccnc2,C(NCc1cccnc1)c2cccnc2,"InChI=1/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2",C12H13N3,,,,,,FEBQXMFOLRVSGC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.233,216-755-6,1657-18-7,2-[(p-methoxyphenyl)azo]acetoacetanilide,2-[(4-methoxyphenyl)diazenyl]-3-oxo-N-phenylbutanamide,COc2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1)cc2,COc2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1)cc2,"InChI=1/C17H17N3O3/c1-12(21)16(17(22)18-13-6-4-3-5-7-13)20-19-14-8-10-15(23-2)11-9-14/h3-11,16H,1-2H3,(H,18,22)",C17H17N3O3,,,,,,LFOLAJSVQDPEFG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.659,227-125-5,5667-20-9,N-hydroxy-1H-adenine,N-hydroxy-1H-purin-6-amine,ONc1[nH]cnc2ncnc12,ONc1[nH]cnc2ncnc12,"InChI=1/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)",C5H5N5O,,,,,,CBCQWVQNMGNYEO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.661,227-127-6,5667-47-0,Dimethyl(ß-oxophenethyl)sulphonium bromide,dimethyl(2-oxo-2-phenylethyl)sulfonium bromide,[Br-].C[S+](C)CC(=O)c1ccccc1,[Br-].C[S+](C)CC(=O)c1ccccc1,"InChI=1/C10H13OS.BrH/c1-12(2)8-10(11)9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H/q+1;/p-1",C10H13OS.Br,,,,,,MOXCZQUDEPYNKM-UHFFFAOYSA-M,,,,,,,,,,,
100.028.682,231-550-1,7631-94-9,Sodium dithionate,disodium dithionate,[Na+].[Na+].[O-]S(=O)(=O)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)S(=O)(=O)[O-],"InChI=1/2Na.H2O6S2/c;;1-7(2,3)8(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",H2O6S2.2Na,,,,,,CSMWJXBSXGUPGY-UHFFFAOYSA-L,,,,,,,,,,,
100.028.685,231-553-8,7631-98-3,Sodium N-dodecyl-N-methylglycinate,sodium [dodecyl(methyl)amino]acetate,[Na+].CCCCCCCCCCCCN(C)CC(=O)[O-],[Na+].CCCCCCCCCCCCN(C)CC(=O)[O-],"InChI=1/C15H31NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15(17)18;/h3-14H2,1-2H3,(H,17,18);/q;+1/p-1",C15H31NO2.Na,,,,,,ADWNFGORSPBALY-UHFFFAOYSA-M,,,,,,,,,,,
100.028.690,231-559-0,2/10/7632,"N,a-dimethylphenethylamine",N-methyl-1-phenylpropan-2-amine,CNC(C)Cc1ccccc1,CNC(C)Cc1ccccc1,"InChI=1/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",C10H15N,,,,,,MYWUZJCMWCOHBA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.694,231-563-2,7634-42-6,"1,4-dimercaptobutane-2,3-diol","1,4-disulfanylbutane-2,3-diol",OC(CS)C(O)CS,OC(CS)C(O)CS,"InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2",C4H10O2S2,,,,,,VHJLVAABSRFDPM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.695,231-564-8,7634-74-4,6-butylquinoline,6-butylquinoline,CCCCc1ccc2ncccc2c1,CCCCc1ccc2ncccc2c1,"InChI=1/C13H15N/c1-2-3-5-11-7-8-13-12(10-11)6-4-9-14-13/h4,6-10H,2-3,5H2,1H3",C13H15N,,,,,,HIFRWMLBTWKDIH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.697,231-566-9,7635-51-0,"(2S-trans)-3,4-dimethyl-2-phenylmorpholinium chloride","3,4-dimethyl-2-phenylmorpholin-4-ium chloride",[Cl-].C[C@H]1[C@@H](OCC[NH+]1C)c2ccccc2,[Cl-].C[C@H]1[C@@H](OCC[NH+]1C)c2ccccc2,"InChI=1/C12H17NO.ClH/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,12H,8-9H2,1-2H3;1H",C12H17NO.ClH,,,,,,OOQWOQSMHKWCEB-XOZOLZJESA-N,,,,,,,,,,,
100.028.705,231-575-8,7640-78-0,Zinc nonan-1-oate,zinc dinonanoate,[Zn+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-],"InChI=1/2C9H18O2.Zn/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Zn,,,,,,PVLBCXWFQZZIGP-UHFFFAOYSA-L,,,,,,,,,,,
100.028.709,231-580-5,7642-64-0,17ß-hydroxyestr-4-en-3-one 17-[3-(2-furyl)propionate],3-oxoestr-4-en-17-yl 3-(2-furyl)propanoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc5occc5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc5occc5,"InChI=1/C25H32O4/c1-25-13-12-20-19-8-5-17(26)15-16(19)4-7-21(20)22(25)9-10-23(25)29-24(27)11-6-18-3-2-14-28-18/h2-3,14-15,19-23H,4-13H2,1H3",C25H32O4,,,,,,ICNIVTHKZKRHPD-YNFNDHOQSA-N,,,,,,,,,,,
100.028.711,231-582-6,7643-75-6,L-arabinitol,L-threo-pentitol,OC[C@H](O)C(O)[C@@H](O)CO,OC[C@H](O)C(O)[C@@H](O)CO,"InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2",C5H12O5,,,,,,HEBKCHPVOIAQTA-IMJSIDKUSA-N,,,,,,,,,,,
100.028.715,231-586-8,7646-66-4,1-benzoylaziridine,1-benzoylaziridine,O=C(N1CC1)c2ccccc2,O=C(N1CC1)c2ccccc2,"InChI=1/C9H9NO/c11-9(10-6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2",C9H9NO,,,,,,HGBCPYMIZWPKMI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.732,231-604-4,7649-92-5,2-(4-fluorobenzoyl)benzoic acid,2-(4-fluorobenzoyl)benzoic acid,OC(=O)c1ccccc1C(=O)c2ccc(F)cc2,OC(=O)c1ccccc1C(=O)c2ccc(F)cc2,"InChI=1/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)",C14H9FO3,,,,,,FJAZVXUPZQSZKI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.611,229-272-0,6459-94-5,"Disodium 8-((3,3'-dimethyl-4'-(4-(4-methylphenylsulphonyloxy)phenylazo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonate","disodium 8-({3,3'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c6ccc(N=Nc4c5c(ccc4O)cc(cc5S([O-])(=O)=O)S([O-])(=O)=O)c(C)c6,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c6ccc(N=Nc4c5c(ccc4O)cc(cc5S([O-])(=O)=O)S([O-])(=O)=O)c(C)c6,"InChI=1/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C37H30N4O10S3.2Na,,,,,,HNBQFKZSMFFZQY-UHFFFAOYSA-L,,,,,,,,,,,
100.026.618,229-279-9,7/02/6465,Methyl [4-[[4-[(4-hydroxyphenyl)azo]-2-methylphenyl]azo]phenyl]-carbamate,methyl [4-({4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl}diazenyl)phenyl]carbamate,Oc3ccc(N=Nc2cc(C)c(N=Nc1ccc(NC(=O)OC)cc1)cc2)cc3,Oc3ccc(N=Nc2cc(C)c(N=Nc1ccc(NC(=O)OC)cc1)cc2)cc3,"InChI=1/C21H19N5O3/c1-14-13-18(25-23-17-7-10-19(27)11-8-17)9-12-20(14)26-24-16-5-3-15(4-6-16)22-21(28)29-2/h3-13,27H,1-2H3,(H,22,28)",C21H19N5O3,,,,,,AIIYSSBNDAQLIG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.560,217-115-9,1743-98-2,"1-(2,2-diethoxyethyl)-4-fluorobenzene","1-(2,2-diethoxyethyl)-4-fluorobenzene",CCOC(Cc1ccc(F)cc1)OCC,CCOC(Cc1ccc(F)cc1)OCC,"InChI=1/C12H17FO2/c1-3-14-12(15-4-2)9-10-5-7-11(13)8-6-10/h5-8,12H,3-4,9H2,1-2H3",C12H17FO2,,,,,,KHBPNUUPZGUYDW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.561,217-116-4,1745-32-0,3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium bromide,"3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium bromide",[Br-].CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,[Br-].CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,"InChI=1/C22H23N2S2.BrH/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1",C22H23N2S2.Br,,,,,,MUBAIQNAOOUIDW-UHFFFAOYSA-M,,,,,,,,,,,
100.017.814,219-595-5,2473-01-0,1-chlorononane,1-chlorononane,CCCCCCCCCCl,CCCCCCCCCCl,"InChI=1/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3",C9H19Cl,,,,,,RKAMCQVGHFRILV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.819,219-600-0,2475-42-5,2-[[4-(m-tolylazo)-m-tolyl]azo]-p-cresol,4-methyl-2-({3-methyl-4-[(3-methylphenyl)diazenyl]phenyl}diazenyl)phenol,Oc3ccc(C)cc3N=Nc2cc(C)c(N=Nc1cc(C)ccc1)cc2,Oc3ccc(C)cc3N=Nc2cc(C)c(N=Nc1cc(C)ccc1)cc2,"InChI=1/C21H20N4O/c1-14-5-4-6-17(11-14)22-24-19-9-8-18(13-16(19)3)23-25-20-12-15(2)7-10-21(20)26/h4-13,26H,1-3H3",C21H20N4O,,,,,,ZWGIWBPSFVJJAG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.825,219-606-3,6/10/2478,4-hydroxybutyl acrylate,4-hydroxybutyl acrylate,OCCCCOC(=O)C=C,OCCCCOC(=O)C=C,"InChI=1/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2",C7H12O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5357,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.825,NDWUBGAGUCISDV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.833,219-615-2,2481-91-6,"1-[(2-hydroxynaphthyl)methyl]-2-naphthyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","1-[(2-hydroxy-1-naphthyl)methyl]-2-naphthyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Oc1ccc2ccccc2c1Cc3c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)ccc6ccccc36,Oc1ccc2ccccc2c1Cc3c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)ccc6ccccc36,"InChI=1/C31H20N2O5S/c32-33-27-15-14-23-24(31(27)35)10-5-11-30(23)39(36,37)38-29-17-13-20-7-2-4-9-22(20)26(29)18-25-21-8-3-1-6-19(21)12-16-28(25)34/h1-17,34H,18H2",C31H20N2O5S,,,,,,JSLRLHQGFHBXED-UHFFFAOYSA-N,,,,,,,,,,,
100.017.844,219-627-8,9/07/2486,"2,4-dinitro-1-phenoxybenzene","2,4-dinitro-1-phenoxybenzene",[O-][N+](=O)c1ccc(Oc2ccccc2)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Oc2ccccc2)c(c1)[N+](=O)[O-],InChI=1/C12H8N2O5/c15-13(16)9-6-7-12(11(8-9)14(17)18)19-10-4-2-1-3-5-10/h1-8H,C12H8N2O5,,,,,,HQFCELSVOFCACS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.847,219-630-4,2486-71-7,4-amino-3-chlorobenzoic acid,4-amino-3-chlorobenzoic acid,Nc1ccc(cc1Cl)C(=O)O,Nc1ccc(cc1Cl)C(=O)O,"InChI=1/C7H6ClNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)",C7H6ClNO2,,,,,,YIYBPEDZAUFQLO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.852,219-636-7,2487-40-3,"1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one","2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",O=C1NC(=S)Nc2[nH]cnc12,O=C1NC(=S)Nc2[nH]cnc12,"InChI=1/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",C5H4N4OS,,,,,,XNHFAGRBSMMFKL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.853,219-637-2,2487-90-3,Trimethoxysilane,trimethoxysilane,CO[SiH](OC)OC,CO[SiH](OC)OC,"InChI=1/C3H10O3Si/c1-4-7(5-2)6-3/h7H,1-3H3",C3H10O3Si,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16258,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.853,YUYCVXFAYWRXLS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.854,219-638-8,9/01/2488,"1,4-phenylenebis[dimethylsilane]","1,4-phenylenebis(dimethylsilane)",C[SiH](C)c1ccc(cc1)[SiH](C)C,C[SiH](C)c1ccc(cc1)[SiH](C)C,"InChI=1/C10H18Si2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8,11-12H,1-4H3",C10H18Si2,,,,,,KQERVIARWMHFOS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.856,219-640-9,2488-95-1,"2,2'-hydrazodiethanol","2,2'-hydrazine-1,2-diyldiethanol",OCCNNCCO,OCCNNCCO,"InChI=1/C4H12N2O2/c7-3-1-5-6-2-4-8/h5-8H,1-4H2",C4H12N2O2,,,,,,HMTLHFRZUBBPBS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.860,219-645-6,2490-42-8,2-methylheptadecan-1-ol,2-methylheptadecan-1-ol,CCCCCCCCCCCCCCCC(C)CO,CCCCCCCCCCCCCCCC(C)CO,"InChI=1/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h18-19H,3-17H2,1-2H3",C18H38O,,,,,,DMNPDGLMNXDSPT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.301,223-430-2,3888-44-6,"Sodium hydrogen 4,5-dihydroxynaphthalene-2,7-disulphonate","sodium hydrogen 4,5-dihydroxynaphthalene-2,7-disulfonate",[Na+].Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O8S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H8O8S2.Na,,,,,,UPYOFRGSTDARPV-UHFFFAOYSA-L,,,,,,,,,,,
100.021.303,223-432-3,3888-84-4,4-fluoro-3-nitrobenzenesulphonic acid,4-fluoro-3-nitrobenzenesulfonic acid,OS(=O)(=O)c1ccc(F)c(c1)[N+](=O)[O-],OS(=O)(=O)c1ccc(F)c(c1)[N+](=O)[O-],"InChI=1/C6H4FNO5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,(H,11,12,13)",C6H4FNO5S,,,,,,OOJWQLSHYOELSK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.304,223-433-9,3890-89-9,Copper(2+) octanoate,copper(2+) dioctanoate,[Cu+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Cu+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Cu/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Cu,,,,,,VNZQQAVATKSIBR-UHFFFAOYSA-L,,,,,,,,,,,
100.028.737,231-610-7,7651-27-6,3-[(1-hydroxy-2-naphthyl)carbamoyl]-4-(methyloctadecylbenzenesulphonic acid,3-[(1-hydroxy-2-naphthoyl)amino]-4-[methyl(octadecyl)amino]benzenesulfonic acid,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1NC(=O)c2ccc3ccccc3c2O)S(=O)(=O)O,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1NC(=O)c2ccc3ccccc3c2O)S(=O)(=O)O,"InChI=1/C36H52N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-38(2)34-26-24-30(44(41,42)43)28-33(34)37-36(40)32-25-23-29-21-18-19-22-31(29)35(32)39/h18-19,21-26,28,39H,3-17,20,27H2,1-2H3,(H,37,40)(H,41,42,43)",C36H52N2O5S,,,,,,UGGBEBIJLHFSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.738,231-611-2,7651-50-5,"2-isopropyl-5,5-dimethyl-1,3-dioxane","2-isopropyl-5,5-dimethyl-1,3-dioxane",CC(C)C1OCC(C)(C)CO1,CC(C)C1OCC(C)(C)CO1,"InChI=1/C9H18O2/c1-7(2)8-10-5-9(3,4)6-11-8/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,AWSZUOKHFRWQFK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.746,231-620-1,2/09/7657,"1,4-dibromo-2-(trifluoromethyl)benzene","1,4-dibromo-2-(trifluoromethyl)benzene",FC(F)(F)c1cc(Br)ccc1Br,FC(F)(F)c1cc(Br)ccc1Br,"InChI=1/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H",C7H3Br2F3,,,,,,VWKFJAOCLPPQGR-UHFFFAOYSA-N,,,,,,,,,,,
100.029.379,232-319-8,8003-34-7,Pyrethrins and Pyrethroids,"5-methyl-4-oxo-3-penta-2,4-dien-1-ylcyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC1C(OC(=O)C2C(C=C(C)C)C2(C)C)C=C(CC=CC=C)C1=O,CC1C(OC(=O)C2C(C=C(C)C)C2(C)C)C=C(CC=CC=C)C1=O,"InChI=1/C21H28O3/c1-7-8-9-10-15-12-17(14(4)19(15)22)24-20(23)18-16(11-13(2)3)21(18,5)6/h7-9,11-12,14,16-18H,1,10H2,2-6H3",-,,,,,,FSDCEPIKMINPET-UHFFFAOYSA-N,,,,,,,,,,,
100.028.285,231-114-0,2/04/7440,Osmium,osmium(2+),[Os],[Os],InChI=1/Os/q+2,Os,,,,,,SYQBFIAQOQZEGI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.289,231-118-2,6/08/7440,Polonium,polonium(2+),[Po],[Po],InChI=1/Po.2H/q+2;;/rH2Po/h1H2/q+2,Po,,,,,,HZEBHPIOVYHPMT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.294,231-124-5,7440-15-5,Rhenium,rhenium(2+),[Re],[Re],InChI=1/Re/q+2,Re,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5499,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.294,WUAPFZMCVAUBPE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.298,231-128-7,7440-19-9,Samarium,samarium(2+),[Sm],[Sm],InChI=1/Sm/q+2,Sm,,,,,,KZUNJOHGWZRPMI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.306,231-137-6,7440-27-9,Terbium,terbium(3+),[Tb],[Tb],InChI=1/Tb/q+3,Tb,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18966,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.306,GZCRRIHWUXGPOV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.310,231-141-8,7440-31-5,Tin,-,[Sn],[Sn],InChI=1/Sn.2H/q+4;;/rH2Sn/h1H2/q+4,Sn,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15457,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.310,ATJFFYVFTNAWJD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.314,231-146-5,7440-36-0,Antimony,antimony(3+),[Sb],[Sb],InChI=1/Sb/q+3,Sb,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16124,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.314,WATWJIUSRGPENY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.316,231-148-6,7440-38-2,Arsenic,arsine,[AsH3],[AsH3],InChI=1/AsH3/h1H3,As,,,,,,RBFQJDQYXXHULB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.325,231-158-0,7440-48-4,Cobalt,cobalt(2+),[Co],[Co],InChI=1/Co/q+2,Co,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15506,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.325,GUTLYIVDDKVIGB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.328,231-161-7,7440-53-1,Europium,europium(2+),[Eu],[Eu],InChI=1/Eu/q+2,Eu,,,,,,OGPBJKLSAFTDLK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.339,231-173-2,7440-64-4,Ytterbium,dihydridoytterbium,[Yb],[Yb],InChI=1/Yb.2H/rH2Yb/h1H2,Yb,,,,,,NAWDYIZEMPQZHO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.082,227-590-4,5897-20-1,Cyclobarbital calcium,-,[Ca+2].CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2,[Ca+2].CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2,"InChI=1/C12H16N2O3.Ca/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;+2",C12H16N2O3.xCa,,,,,,WLFGRJGVFJFWQK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.085,227-594-6,5901-56-4,N-4-nitrophenylguanidine,1-(4-nitrophenyl)guanidine,NC(=N)Nc1ccc(cc1)N(=O)=O,NC(=N)Nc1ccc(cc1)N(=O)=O,"InChI=1/C7H8N4O2/c8-7(9)10-5-1-3-6(4-2-5)11(12)13/h1-4H,(H4,8,9,10)",C7H8N4O2,,,,,,TYWHSGIYNMFJBG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.086,227-595-1,5902-51-2,Terbacil,"3-tert-butyl-5-chloro-6-methylpyrimidine-2,4(1H,3H)-dione",CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C,CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C,"InChI=1/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)",C9H13ClN2O2,,,,,,NBQCNZYJJMBDKY-UHFFFAOYSA-N,Negative,,,,,,EQ317951|EQ317952|EQ317953|EQ317954|EQ317955|EQ317956,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,215.0592:158.9966:115.9908|158.9966:215.0592:115.9908|158.9966:215.0593:115.9909|158.9966:115.9909:72.9724|158.9967:72.9725:74.9643|72.9724:74.9643:158.9967,Eawag
100.025.088,227-597-2,5902-85-2,"Benzothiazole-2(3H)-thione, compound with 2-aminoethanol (1:1)","1,3-benzothiazole-2(3H)-thione - 2-aminoethanol (1:1)",NCCO.S=C1Nc2ccccc2S1,NCCO.S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.C2H7NO/c9-7-8-5-3-1-2-4-6(5)10-7;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2",C7H5NS2.C2H7NO,,,,,,BGZRCNAAUWQNRX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.092,227-601-2,5905-17-9,"N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[2-[(5-chloro-o-tolyl)azo]-3-oxobutyramide]","N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)bis{2-[(5-chloro-2-methylphenyl)diazenyl]-3-oxobutanamide}",CC(=O)C(N=Nc1cc(Cl)ccc1C)C(=O)Nc2ccc(cc2C)c3ccc(NC(=O)C(N=Nc4cc(Cl)ccc4C)C(=O)C)c(C)c3,CC(=O)C(N=Nc1cc(Cl)ccc1C)C(=O)Nc2ccc(cc2C)c3ccc(NC(=O)C(N=Nc4cc(Cl)ccc4C)C(=O)C)c(C)c3,"InChI=1/C36H34Cl2N6O4/c1-19-7-11-27(37)17-31(19)41-43-33(23(5)45)35(47)39-29-13-9-25(15-21(29)3)26-10-14-30(22(4)16-26)40-36(48)34(24(6)46)44-42-32-18-28(38)12-8-20(32)2/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)",C36H34Cl2N6O4,,,,,,ZQFJNGHOFUPFLE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.233,243-172-4,19584-53-3,Potassium sodium adipate,potassium sodium adipate,[Na+].[K+].[O-]C(=O)CCCCC(=O)[O-],[Na+].[K+].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.K.Na/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H10O4.K.Na,,,,,,UAYBDPAIBGXPQE-UHFFFAOYSA-L,,,,,,,,,,,
100.039.236,243-176-6,19594-40-2,2-methylundecan-4-one,2-methylundecan-4-one,CCCCCCCC(=O)CC(C)C,CCCCCCCC(=O)CC(C)C,"InChI=1/C12H24O/c1-4-5-6-7-8-9-12(13)10-11(2)3/h11H,4-10H2,1-3H3",C12H24O,,,,,,IEBAJFDSHJYDCK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.237,243-177-1,19597-69-4,Lithium triazide,lithium triazide,[Li+].[Li+].[Li+].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-],[Li+].[Li+].[Li+].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-],InChI=1/3Li.3N3/c;;;3*1-3-2/q3*+1;3*-1,LiN3,,,,,,DHPBUPIWLGKCTG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.246,243-187-6,19617-84-6,4'-benzoylbenzanilide,N-(4-benzoylphenyl)benzamide,O=C(Nc1ccc(cc1)C(=O)c2ccccc2)c3ccccc3,O=C(Nc1ccc(cc1)C(=O)c2ccccc2)c3ccccc3,"InChI=1/C20H15NO2/c22-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-20(23)17-9-5-2-6-10-17/h1-14H,(H,21,23)",C20H15NO2,,,,,,WRYFTNYOWKAAGV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.265,243-207-3,19659-81-5,"3,8-diaminonaphthalene-1,5-disulphonic acid","3,8-diaminonaphthalene-1,5-disulfonic acid",Nc1cc(c2c(N)ccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(c2c(N)ccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H10N2O6S2/c11-5-3-6-8(19(13,14)15)2-1-7(12)10(6)9(4-5)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)",C10H10N2O6S2,,,,,,IQCQWQDFHQPFIT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.270,243-213-6,19664-95-0,"Butyric acid, manganese salt",-,[Mn].CCCC(O)=O,[Mn].CCCC(O)=O,"InChI=1/C4H8O2.Mn/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+2",C4H8O2.xMn,,,,,,JIBLHSNEQAYSEY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.271,243-214-1,19666-16-1,Tridecyl salicylate,tridecyl salicylate,CCCCCCCCCCCCCOC(=O)c1ccccc1O,CCCCCCCCCCCCCOC(=O)c1ccccc1O,"InChI=1/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16,21H,2-11,14,17H2,1H3",C20H32O3,,,,,,VLMWBWYAHNRUGC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.272,243-215-7,19666-30-9,"3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one","5-tert-butyl-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazol-2(3H)-one",CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl,CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl,"InChI=1/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3",C15H18Cl2N2O3,,,,,,CHNUNORXWHYHNE-UHFFFAOYSA-N,Positive,SM846603;EQ370401|EQ370402|EQ370403|EQ370404|EQ370405|EQ370406|EQ370407|EQ370408|EQ370409,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,303.0299:219.9563:176.9505;303.0297:345.0767:219.9563|219.9563:303.0298:176.9505|176.9505:184.9875:219.9564|184.9874:176.9505:148.9556|184.9875:176.9505:148.9556|112.9789:148.9556:128.9976|84.984:94.0288:112.9789|84.9839:53.0022:62.9632|53.0022:84.984:62.9632,CASMI_2016;Eawag,,,,,
100.039.274,243-217-8,19669-65-9,"3,3-dimethoxy-19-nor-17-a-pregn-5(10)-en-20-yn-17-ß-ol","17-ethynyl-3,3-dimethoxyestr-5(10)-en-17-ol",COC1(CCC2=C(CCC3C2CCC4(C)C3CCC4(O)C#C)C1)OC,COC1(CCC2=C(CCC3C2CCC4(C)C3CCC4(O)C#C)C1)OC,"InChI=1/C22H32O3/c1-5-21(23)12-10-19-18-7-6-15-14-22(24-3,25-4)13-9-16(15)17(18)8-11-20(19,21)2/h1,17-19,23H,6-14H2,2-4H3",C22H32O3,,,,,,MSUVOSKVTATSHE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.741,249-231-0,28799-82-8,"1,2-dihydro-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxonicotinonitrile","6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CC1=C(C#N)C(=O)N(CCO)C(=C1)O,CC1=C(C#N)C(=O)N(CCO)C(=C1)O,"InChI=1/C9H10N2O3/c1-6-4-8(13)11(2-3-12)9(14)7(6)5-10/h4,12-13H,2-3H2,1H3",C9H10N2O3,,,,,,UXZFDLQNZDPYDE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.748,249-238-9,28804-58-2,Tricyclohexylbenzene,"1,2,3-tricyclohexylbenzene",C1CCC(CC1)c2cccc(C3CCCCC3)c2C4CCCCC4,C1CCC(CC1)c2cccc(C3CCCCC3)c2C4CCCCC4,"InChI=1/C24H36/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)24(22)21-15-8-3-9-16-21/h10,17-21H,1-9,11-16H2",C24H36,,,,,,HSDRNVLRTNPRNS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.501,243-467-8,20017-68-9,"1,1'-(3-bromopropylidene)bisbenzene","1,1'-(3-bromopropane-1,1-diyl)dibenzene",BrCCC(c1ccccc1)c2ccccc2,BrCCC(c1ccccc1)c2ccccc2,"InChI=1/C15H15Br/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2",C15H15Br,,,,,,SLHSRCBFPHCSGL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.506,243-473-0,20030-30-2,"2,5,6-trimethylcyclohex-2-en-1-one","2,5,6-trimethylcyclohex-2-en-1-one",CC1CC=C(C)C(=O)C1C,CC1CC=C(C)C(=O)C1C,"InChI=1/C9H14O/c1-6-4-5-7(2)9(10)8(6)3/h5-6,8H,4H2,1-3H3",C9H14O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17452,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.506,QAQCUBLNHBKTRM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.511,243-478-8,20039-37-6,Pyridinium dichromate,pyridinium dichromate,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].c1cc[nH+]cc1.c2cc[nH+]cc2,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].c1cc[nH+]cc1.c2cc[nH+]cc2,"InChI=1/2C5H5N.2Cr.7O/c2*1-2-4-6-5-3-1;;;;;;;;;/h2*1-5H;;;;;;;;;/q;;;;;;;;;2*-1/p+2/r2C5H5N.Cr2O7/c2*1-2-4-6-5-3-1;3-1(4,5)9-2(6,7)8/h2*1-5H;/q;;-2/p+2",C5H5N.1/2Cr2H2O7,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10376,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.511,LMYWWPCAXXPJFF-UHFFFAOYSA-P,,,,,,,,,,,
100.039.521,243-489-8,20059-24-9,5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)azo]phenol,2-{[4-(diethylamino)-2-hydroxyphenyl]diazenyl}-4-nitrophenol,Oc2cc(ccc2N=Nc1cc(ccc1O)[N+]([O-])=O)N(CC)CC,Oc2cc(ccc2N=Nc1cc(ccc1O)[N+]([O-])=O)N(CC)CC,"InChI=1/C16H18N4O4/c1-3-19(4-2)11-5-7-13(16(22)10-11)17-18-14-9-12(20(23)24)6-8-15(14)21/h5-10,21-22H,3-4H2,1-2H3",C16H18N4O4,,,,,,MGTPWASODZUAAB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.254,231-079-1,7433-23-0,"Sebacic acid, compound with piperazine (1:1)",decanedioic acid - piperazine (1:1),OC(=O)CCCCCCCCC(=O)O.C1CNCCN1,OC(=O)CCCCCCCCC(=O)O.C1CNCCN1,"InChI=1/C10H18O4.C4H10N2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-6-4-3-5-1/h1-8H2,(H,11,12)(H,13,14);5-6H,1-4H2",C10H18O4.C4H10N2,,,,,,AABVNLKNIVLBCB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.260,231-085-4,7435-61-2,"5-isobutyl-1,3-dimethylbarbituric acid","5-isobutyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)CC1C(=O)N(C)C(=O)N(C)C1=O,CC(C)CC1C(=O)N(C)C(=O)N(C)C1=O,"InChI=1/C10H16N2O3/c1-6(2)5-7-8(13)11(3)10(15)12(4)9(7)14/h6-7H,5H2,1-4H3",C10H16N2O3,,,,,,NFQAQKVFBFWVKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.272,231-099-0,7439-91-0,Lanthanum,lanthanum,[La],[La],InChI=1/La/q+3,La,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5925,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.272,FZLIPJUXYLNCLC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.277,231-105-1,7439-96-5,Manganese,manganese(2+),[Mn],[Mn],InChI=1/Mn/q+2,Mn,Full,Joint,1000000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15553,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.277,PWHULOQIROXLJO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.030,227-533-3,5873-43-8,Vinyl valerate,vinyl valerate,CCCCC(=O)OC=C,CCCCC(=O)OC=C,"InChI=1/C7H12O2/c1-3-5-6-7(8)9-4-2/h4H,2-3,5-6H2,1H3",C7H12O2,,,,,,BLZSRIYYOIZLJL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.033,227-537-5,5873-90-5,Methyl benzimidate hydrochloride,methyl benzenecarboximidoate hydrochloride,Cl.COC(=N)c1ccccc1,Cl.COC(=N)c1ccccc1,"InChI=1/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H",C8H9NO.ClH,,,,,,HDJNHVNQRJMWSH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.034,227-538-0,5874-90-8,N-L-alanyl-N-L-alanyl-L-alanine,di-L-alanyl-L-alanine,C[C@H](N)C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H](C)N,C[C@H](N)C(=O)N([C@@H](C)C(=O)O)C(=O)[C@H](C)N,"InChI=1/C9H17N3O4/c1-4(10)7(13)12(6(3)9(15)16)8(14)5(2)11/h4-6H,10-11H2,1-3H3,(H,15,16)",C9H17N3O4,,,,,,XLZKNMUVQNGJKG-ZLUOBGJFSA-N,,,,,,,,,,,
100.025.040,227-544-3,5876-92-6,o-hydroxyphenyl benzoate,2-hydroxyphenyl benzoate,Oc1ccccc1OC(=O)c2ccccc2,Oc1ccccc1OC(=O)c2ccccc2,"InChI=1/C13H10O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-9,14H",C13H10O3,,,,,,RJHSCCZVRVXSEF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.041,227-545-9,5877-42-9,4-ethyloct-1-yn-3-ol,4-ethyloct-1-yn-3-ol,CCCCC(CC)C(O)C#C,CCCCC(CC)C(O)C#C,"InChI=1/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3",C10H18O,,,,,,CUUQUEAUUPYEKK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.043,227-548-5,5877-58-7,N-benzylidene-m-toluidine,N-benzylidene-3-methylaniline,Cc2cc(N=Cc1ccccc1)ccc2,Cc2cc(N=Cc1ccccc1)ccc2,"InChI=1/C14H13N/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-11H,1H3",C14H13N,,,,,,RAMVBCXRKUNVQT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.056,227-562-1,5888-34-6,"Bicyclo[2.2.1]heptane-2,7-diol","bicyclo[2.2.1]heptane-2,7-diol",OC1CC2CCC1C2O,OC1CC2CCC1C2O,"InChI=1/C7H12O2/c8-6-3-4-1-2-5(6)7(4)9/h4-9H,1-3H2",C7H12O2,,,,,,PRUUDNOIZWXFSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.063,227-570-5,5892-18-2,"3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride","1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CN1C(=O)N(C)c2ncn(C)c2C1=O,Cl.CN1C(=O)N(C)c2ncn(C)c2C1=O,"InChI=1/C8H10N4O2.ClH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H",C8H10N4O2.ClH,,,,,,VDHPYBVMFNLZQG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.068,227-575-2,5894-60-0,Trichloro(hexadecyl)silane,trichloro(hexadecyl)silane,CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C16H33Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3",C16H33Cl3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5779,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.068,RYPYGDUZKOPBEL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.069,227-576-8,5894-67-7,Titanium tetrakis[(Z)-octadec-9-enolate],titanium tetrakis[(Z)-octadec-9-enolate],[Ti+2].[Ti+2].CCCCCCCC\\C=C/CCCCCCCC[O-].CCCCCCCC\\C=C/CCCCCCCC[O-].CCCCCCCC\\C=C/CCCCCCCC[O-].CCCCCCCC\\C=C/CCCCCCCC[O-],[Ti+2].[Ti+2].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-],"InChI=1/4C18H35O.2Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;/h4*9-10H,2-8,11-18H2,1H3;;/q4*-1;2*+2",C18H36O.1/4Ti,,,,,,ZQQKUHRKNFUGCJ-HVBBXQNNSA-N,,,,,,,,,,,
100.024.669,227-136-5,5676-58-4,"2,5-dimethylbenzoxazole","2,5-dimethyl-1,3-benzoxazole",Cc1ccc2oc(C)nc2c1,Cc1ccc2oc(C)nc2c1,"InChI=1/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3",C9H9NO,,,,,,XVQGFGKAPKEUFT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.677,227-144-9,5682-83-7,2-benzylidenecyclohexan-1-one,2-benzylidenecyclohexanone,O=C2CCCCC2=Cc1ccccc1,O=C2CCCCC2=Cc1ccccc1,"InChI=1/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2",C13H14O,,,,,,VCDPHYIZVFJQCD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.685,227-153-8,5685-47-2,"1,1'-methylenebiscyclopropane","1,1'-methylenedicyclopropane",C(C1CC1)C2CC2,C(C1CC1)C2CC2,"InChI=1/C7H12/c1-2-6(1)5-7-3-4-7/h6-7H,1-5H2",C7H12,,,,,,LLVRMRMMZQPDAK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.686,227-154-3,5685-86-9,"(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate (1:1)",-,CN1CCCN=C1\\C=C\\c2cccs2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CN1CCCN=C1\C=C\c2cccs2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C11H14N2S.C6H8O7/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-6,9H,3,7-8H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3",C11H14N2S.C6H8O7,,,,,,YJGGCARNRYGSPA-IPZCTEOASA-K,,,,,,,,,,,
100.021.305,223-434-4,4/07/3891,N-(2-hydroxyethyl)phthalimide,"2-(2-hydroxyethyl)-1H-isoindole-1,3(2H)-dione",OCCN1C(=O)c2ccccc2C1=O,OCCN1C(=O)c2ccccc2C1=O,"InChI=1/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2",C10H9NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12104,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.305,MWFLUYFYHANMCM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.310,223-440-7,3891-77-8,"3-ethyl-5-[3-methyl-5-(methylthio)-1,3,4-thiadiazol-2(3H)-ylidene]rhodanine","3-ethyl-5-[3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-thioxo-1,3-thiazolidin-4-one",O=C1C(SC(=S)N1CC)=C2SC(/SC)=N\\N2C,O=C1C(SC(=S)N1CC)=C2SC(/SC)=N\N2C,"InChI=1/C9H11N3OS4/c1-4-12-6(13)5(16-9(12)14)7-11(2)10-8(15-3)17-7/h4H2,1-3H3",C9H11N3OS4,,,,,,OTIHSEDAOTZRGC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.317,223-448-0,6/08/3898,"1,1-diphenylthiourea","1,1-diphenylthiourea",NC(=S)N(c1ccccc1)c2ccccc2,NC(=S)N(c1ccccc1)c2ccccc2,"InChI=1/C13H12N2S/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16)",C13H12N2S,,,,,,FPZXQVCYHDMIIA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.325,223-456-4,3901-17-5,"3-(cyclopropylcarbonyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","3-(cyclopropylcarbonyl)-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2C(=O)C4CC4,CC1C2Cc3ccc(O)cc3C1(C)CCN2C(=O)C4CC4,"InChI=1/C18H23NO2/c1-11-16-9-13-5-6-14(20)10-15(13)18(11,2)7-8-19(16)17(21)12-3-4-12/h5-6,10-12,16,20H,3-4,7-9H2,1-2H3",C18H23NO2,,,,,,IMYFCLLEKFFDDC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.328,223-460-6,3905-19-9,"N,N'-phenylene-1,4-bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]","3,3'-[(2,2'',5,5''-tetrachloro-1,1':4',1''-terphenyl-4,4''-diyl)bis(triaz-2-ene-3,1-diylcarbonyl)]di(2-naphthol)",Oc1cc2ccccc2cc1C(=O)NN=Nc3cc(Cl)c(cc3Cl)c4ccc(cc4)c5cc(Cl)c(cc5Cl)N=NNC(=O)c6cc7ccccc7cc6O,Oc1cc2ccccc2cc1C(=O)NN=Nc3cc(Cl)c(cc3Cl)c4ccc(cc4)c5cc(Cl)c(cc5Cl)N=NNC(=O)c6cc7ccccc7cc6O,"InChI=1/C40H24Cl4N6O4/c41-31-19-35(45-49-47-39(53)29-13-23-5-1-3-7-25(23)15-37(29)51)33(43)17-27(31)21-9-11-22(12-10-21)28-18-34(44)36(20-32(28)42)46-50-48-40(54)30-14-24-6-2-4-8-26(24)16-38(30)52/h1-20,51-52H,(H,45,47,53)(H,46,48,54)",C40H24Cl4N6O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5932,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.328,NAOAIXJLSONHSA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.331,223-463-2,3906-55-6,Nickel bis(4-cyclohexylbutyrate),nickel(2+) bis(4-cyclohexylbutanoate),[Ni+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,[Ni+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,"InChI=1/2C10H18O2.Ni/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Ni,,,,,,LSLSVVJPMABPLC-UHFFFAOYSA-L,,,,,,,,,,,
100.021.335,223-467-4,3910-35-8,"1,1,3-trimethyl-3-phenylindan","1,1,3-trimethyl-3-phenylindane",CC1(C)CC(C)(c2ccccc2)c3ccccc13,CC1(C)CC(C)(c2ccccc2)c3ccccc13,"InChI=1/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3",C18H20,,,,,,ICLPNZMYHDVKKI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.338,223-471-6,3913-23-3,2-(bromomethyl)-4-nitroanisole,2-(bromomethyl)-1-methoxy-4-nitrobenzene,COc1ccc(cc1CBr)[N+](=O)[O-],COc1ccc(cc1CBr)[N+](=O)[O-],"InChI=1/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3",C8H8BrNO3,,,,,,JRHMPHMGOGMNDU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.341,223-474-2,3913-81-3,(E)-2-decenal,dec-2-enal,CCCCCCC\\C=C\\C=O,CCCCCCC\C=C\C=O,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3",C10H18O,,,,,,MMFCJPPRCYDLLZ-CMDGGOBGSA-N,,,,,,,,,,,
100.021.343,223-476-3,3914-19-0,"1,3-bis(1,1,2,2-tetrafluoroethoxy)benzene","1,3-bis(1,1,2,2-tetrafluoroethoxy)benzene",FC(F)C(F)(F)Oc1cccc(OC(F)(F)C(F)F)c1,FC(F)C(F)(F)Oc1cccc(OC(F)(F)C(F)F)c1,"InChI=1/C10H6F8O2/c11-7(12)9(15,16)19-5-2-1-3-6(4-5)20-10(17,18)8(13)14/h1-4,7-8H",C10H6F8O2,,,,,,BGSNJTVHTSPYDP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.220,220-040-4,2612-57-9,"2,4-dichlorophenyl isocyanate","2,4-dichloro-1-isocyanatobenzene",Clc1ccc(N=C=O)c(Cl)c1,Clc1ccc(N=C=O)c(Cl)c1,InChI=1/C7H3Cl2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H,C7H3Cl2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5199,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.220,OLBJNSPBWLCTOT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.221,220-042-5,2613-23-2,3-chloro-4-fluorophenol,3-chloro-4-fluorophenol,Oc1ccc(F)c(Cl)c1,Oc1ccc(F)c(Cl)c1,"InChI=1/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H",C6H4ClFO,,,,,,ZQXLIXHVJVAPLW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.222,220-043-0,2613-72-1,"(1a,2a,4a)-1,2,4-trimethylcyclopentane","1,2,4-trimethylcyclopentane",C[C@H]1C[C@@H](C)[C@@H](C)C1,C[C@H]1C[C@@H](C)[C@@H](C)C1,"InChI=1/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3",C8H16,,,,,,PNUFYSGVPVMNRN-RNLVFQAGSA-N,,,,,,,,,,,
100.018.229,220-050-9,2618-77-1,"2,5-dimethylhexane-2,5-diyl diperbenzoate","2,5-dimethylhexane-2,5-diyl dibenzenecarboperoxoate",CC(C)(CCC(C)(C)OOC(=O)c1ccccc1)OOC(=O)c2ccccc2,CC(C)(CCC(C)(C)OOC(=O)c1ccccc1)OOC(=O)c2ccccc2,"InChI=1/C22H26O6/c1-21(2,27-25-19(23)17-11-7-5-8-12-17)15-16-22(3,4)28-26-20(24)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3",C22H26O6,,,,,,RIPYNJLMMFGZSX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.234,220-056-1,2620-50-0,"Benzo-1,3-dioxole-5-methylamine","1-(1,3-benzodioxol-5-yl)methanamine",NCc1ccc2OCOc2c1,NCc1ccc2OCOc2c1,"InChI=1/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2",C8H9NO2,,,,,,ZILSBZLQGRBMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.244,220-067-1,1/05/2622,Allylmagnesium chloride,allylmagnesium(1+) chloride,[Cl-].[Mg+]CC=C,[Cl-].[Mg+]CC=C,"InChI=1/C3H5.ClH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1/rC3H5Mg.ClH/c1-2-3-4;/h2H,1,3H2;1H/q+1;/p-1",C3H5ClMg,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7783,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.244,PLYLAFITHJUEGX-UHFFFAOYSA-M,,,,,,,,,,,
100.025.100,227-610-1,5906-79-6,Diphenylsilanol,diphenylsilanol,O[SiH](c1ccccc1)c2ccccc2,O[SiH](c1ccccc1)c2ccccc2,"InChI=1/C12H12OSi/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H",C12H12OSi,,,,,,VDRQNMNLNVOILV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.104,227-614-3,5908-80-5,Barium succinate,barium succinate,[Ba+2].[O-]C(=O)CCC(=O)[O-],[Ba+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Ba/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Ba,,,,,,HFAQXXPQBRIXGD-UHFFFAOYSA-L,,,,,,,,,,,
100.025.106,227-616-4,5908-87-2,Ethyl docosanoate,ethyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC,"InChI=1/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h3-23H2,1-2H3",C24H48O2,,,,,,JIZCYLOUIAIZHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.108,227-619-0,5909-24-0,Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate,ethyl 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylate,CCOC(=O)c1cnc(SC)nc1Cl,CCOC(=O)c1cnc(SC)nc1Cl,"InChI=1/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3",C8H9ClN2O2S,,,,,,SNNHLSHDDGJVDM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.109,227-620-6,5910-19-0,"N-methyl-2,6-dinitroaniline","N-methyl-2,6-dinitroaniline",CNc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],CNc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H7N3O4/c1-8-7-5(9(11)12)3-2-4-6(7)10(13)14/h2-4,8H,1H3",C7H7N3O4,,,,,,YEYQXUWULBDKHV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.116,227-627-4,5910-85-0,"Hepta-2,4-dienal","hepta-2,4-dienal",CCC=CC=CC=O,CCC=CC=CC=O,"InChI=1/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3",C7H10O,,,,,,SATICYYAWWYRAM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.117,227-629-5,5910-87-2,"trans,trans-nona-2,4-dienal","nona-2,4-dienal",CCCC\\C=C\\C=C\\C=O,CCCC\C=C\C=C\C=O,"InChI=1/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3",C9H14O,,,,,,ZHHYXNZJDGDGPJ-BSWSSELBSA-N,,,,,,,,,,,
100.025.124,227-636-3,5913-73-5,Codeine citrate,"3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol 2-hydroxypropane-1,2,3-tricarboxylate (salt)",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)CC(O)(CC(=O)O)C(=O)O,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C18H21NO3.C6H8O7/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,11-13,17,20H,7-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C18H21NO3.1/3C6H8O7,,,,,,ZFOSIHQKVUYFLN-FFHNEAJVSA-N,,,,,,,,,,,
100.026.750,229-424-6,2/09/6530,3-aminoquinuclidine dihydrochloride,quinuclidin-3-amine dihydrochloride,Cl.Cl.NC1CN2CCC1CC2,Cl.Cl.NC1CN2CCC1CC2,"InChI=1/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H",C7H14N2.2ClH,,,,,,STZHBULOYDCZET-UHFFFAOYSA-N,,,,,,,,,,,
100.024.716,227-187-3,5702-82-9,N-[4-(piperidin-1-ylsulphonyl)phenyl]acetamide,N-[4-(piperidin-1-ylsulfonyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCCC2,CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCCC2,"InChI=1/C13H18N2O3S/c1-11(16)14-12-5-7-13(8-6-12)19(17,18)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)",C13H18N2O3S,,,,,,TVEBRNUNWHDRLC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.718,227-189-4,5703-21-9,"(3,4-dimethoxyphenyl)acetaldehyde","(3,4-dimethoxyphenyl)acetaldehyde",COc1ccc(CC=O)cc1OC,COc1ccc(CC=O)cc1OC,"InChI=1/C10H12O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,6-7H,5H2,1-2H3",C10H12O3,,,,,,RIVVYJWUHXMGSK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.723,227-195-7,5705-15-7,N-benzyl-N-phenylhydrazinium(1+) chloride,1-benzyl-1-phenylhydrazine,NN(Cc1ccccc1)c2ccccc2,NN(Cc1ccccc1)c2ccccc2,"InChI=1/C13H14N2/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,14H2",C13H14N2.ClH,,,,,,SQMOOVFBFVTTGF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.725,227-197-8,5707-69-7,Drazoxolon,4-[(2-chlorophenyl)hydrazono]-3-methylisoxazol-5(4H)-one,C\\C2=N\\OC(=O)C2=NNc1ccccc1Cl,C\C2=N\OC(=O)C2=NNc1ccccc1Cl,"InChI=1/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,12H,1H3",C10H8ClN3O2,,,,,,OOTHTARUZHONSW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.727,227-199-9,5710-54-3,Dipotassium o-benzenedisulphonate hydrate,"benzene-1,2-disulfonic acid",OS(=O)(=O)c1ccccc1S(=O)(=O)O,OS(=O)(=O)c1ccccc1S(=O)(=O)O,"InChI=1/C6H6O6S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)",C6H6O6S2.2K,,,,,,MIAUJDCQDVWHEV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.728,227-200-2,5711-19-3,Acetoxytrimethylplumbane,acetoxy(trimethyl)plumbane,CC(=O)O[Pb](C)(C)C,CC(=O)O[Pb](C)(C)C,"InChI=1/C2H4O2.3CH3.Pb/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H3;/q;;;;+1/p-1/rC5H12O2Pb/c1-5(6)7-8(2,3)4/h1-4H3",C5H12O2Pb,,,,,,WWMVIEUWJUEIKF-UHFFFAOYSA-M,,,,,,,,,,,
100.024.741,227-214-9,5716-20-1,Bamethan sulphate,4-[2-(butylamino)-1-hydroxyethyl]phenol sulfate (salt),CCCCNCC(O)c1ccc(O)cc1.OS(=O)(=O)O,CCCCNCC(O)c1ccc(O)cc1.OS(=O)(=O)O,"InChI=1/C12H19NO2.H2O4S/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)",C12H19NO2.1/2H2O4S,,,,,,LHQHLXHNHWARAM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.746,227-220-1,5718-83-2,N-(2-thioxo-4-oxothiazolidine)acetic acid,"(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid",OC(=O)CN1C(=O)CSC1=S,OC(=O)CN1C(=O)CSC1=S,"InChI=1/C5H5NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)",C5H5NO3S2,,,,,,JGRMXPSUZIYDRR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.525,243-494-5,20062-22-0,"2,2',4,4',6,6'-hexanitrostilbene","1,1'-ethene-1,2-diylbis(2,4,6-trinitrobenzene)",[O-][N+](=O)c1cc(c(\\C=C\\c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(\C=C\c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H,C14H6N6O12,,,,,,YSIBQULRFXITSW-OWOJBTEDSA-N,,,,,,,,,,,
100.039.529,243-498-7,20073-24-9,"Ethyl 7-oxo-7H-furo[3,2-g][1]benzopyran-6-carboxylate","ethyl 7-oxo-7H-furo[3,2-g]chromene-6-carboxylate",CCOC(=O)C1=Cc2cc3ccoc3cc2OC1=O,CCOC(=O)C1=Cc2cc3ccoc3cc2OC1=O,"InChI=1/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3",C14H10O5,,,,,,CFQAMEDTKHNQTP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.530,243-499-2,20073-50-1,Oxazolidine-3-ethanol,"2-(1,3-oxazolidin-3-yl)ethanol",OCCN1CCOC1,OCCN1CCOC1,"InChI=1/C5H11NO2/c7-3-1-6-2-4-8-5-6/h7H,1-5H2",C5H11NO2,,,,,,UPIKAIAOTXEAAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.533,243-502-7,20074-69-5,Sodium 7-amino-4-hydroxynaphthalene-2-sulphonate,sodium 7-amino-4-hydroxynaphthalene-2-sulfonate,[Na+].Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)[O-],[Na+].Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)[O-],"InChI=1/C10H9NO4S.Na/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1",C10H9NO4S.Na,,,,,,FNLGVABBDVJJOP-UHFFFAOYSA-M,,,,,,,,,,,
100.039.534,243-503-2,20074-76-4,Copper(2+) acrylate,copper(2+) diacrylate,[Cu+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Cu+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Cu/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Cu,,,,,,XPLSDXJBKRIVFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.039.535,243-504-8,20074-79-7,Diethyl p-aminobenzylphosphonate,diethyl (4-aminobenzyl)phosphonate,CCOP(=O)(Cc1ccc(N)cc1)OCC,CCOP(=O)(Cc1ccc(N)cc1)OCC,"InChI=1/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3",C11H18NO3P,,,,,,ZVAYUUUQOCPZCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.484,224-731-1,4465-58-1,1-[(2-hydroxyethyl)amino]anthraquinone,"1-[(2-hydroxyethyl)amino]-9,10-anthraquinone",OCCNc1cccc2C(=O)c3ccccc3C(=O)c12,OCCNc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H13NO3/c18-9-8-17-13-7-3-6-12-14(13)16(20)11-5-2-1-4-10(11)15(12)19/h1-7,17-18H,8-9H2",C16H13NO3,,,,,,DQIHOZJLTDMMSG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.485,224-732-7,4466-24-4,2-butylfuran,2-butylfuran,CCCCc1occc1,CCCCc1occc1,"InChI=1/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3",C8H12O,,,,,,NWZIYQNUCXUJJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.486,224-733-2,4466-59-5,"3,6-dichlorophthalic anhydride","4,7-dichloro-2-benzofuran-1,3-dione",Clc1ccc(Cl)c2C(=O)OC(=O)c12,Clc1ccc(Cl)c2C(=O)OC(=O)c12,InChI=1/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H,C8H2Cl2O3,,,,,,HEGLMCPFDADCAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.491,224-739-5,4468-59-1,4-hydroxy-3-methoxyphenylacetonitrile,(4-hydroxy-3-methoxyphenyl)acetonitrile,COc1cc(CC#N)ccc1O,COc1cc(CC#N)ccc1O,"InChI=1/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3",C9H9NO2,,,,,,SDVYWMWQCJEYTC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.495,224-743-7,4471-41-4,"1,4-bis[(2-hydroxyethyl)amino]anthraquinone","1,4-bis[(2-hydroxyethyl)amino]-9,10-anthraquinone",OCCNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,OCCNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H18N2O4/c21-9-7-19-13-5-6-14(20-8-10-22)16-15(13)17(23)11-3-1-2-4-12(11)18(16)24/h1-6,19-22H,7-10H2",C18H18N2O4,,,,,,PAZPNGYXNBABCM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.497,224-745-8,4472-41-7,"N,N-di[2H3]methyl[2H]formamide","N,N-dimethylformamide",CN(C)C=O,CN(C)C=O,"InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H3",C3D7NO,,,,,,ZMXDDKWLCZADIW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.499,224-747-9,7/03/4474,1-ethyl-3-methyldiphenylurea,"1-ethyl-3-methyl-1,3-diphenylurea",CCN(C(=O)N(C)c1ccccc1)c2ccccc2,CCN(C(=O)N(C)c1ccccc1)c2ccccc2,"InChI=1/C16H18N2O/c1-3-18(15-12-8-5-9-13-15)16(19)17(2)14-10-6-4-7-11-14/h4-13H,3H2,1-2H3",C16H18N2O,,,,,,FOHIURCGHCHRHW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.627,219-389-5,2429-80-3,"Disodium 3-amino-4-[[4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate","disodium 3-amino-4-({4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2ccc(cc2)c5ccc(N=Nc3c4ccc(cc4cc(c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c6ccc(C)cc6,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2ccc(cc2)c5ccc(N=Nc3c4ccc(cc4cc(c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c6ccc(C)cc6,"InChI=1/C35H27N5O9S3.2Na/c1-22-2-16-30(17-3-22)52(47,48)49-29-14-12-28(13-15-29)38-37-26-8-4-23(5-9-26)24-6-10-27(11-7-24)39-40-35-32-19-18-31(50(41,42)43)20-25(32)21-33(34(35)36)51(44,45)46;;/h2-21H,36H2,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C35H27N5O9S3.2Na,,,,,,NJXPQVNXQNPYRT-UHFFFAOYSA-L,,,,,,,,,,,
100.017.634,219-396-3,2431-00-7,p-methylbenzil,"1-(4-methylphenyl)-2-phenylethane-1,2-dione",Cc1ccc(cc1)C(=O)C(=O)c2ccccc2,Cc1ccc(cc1)C(=O)C(=O)c2ccccc2,"InChI=1/C15H12O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3",C15H12O2,,,,,,QKFICTUTRIMBEX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.635,219-397-9,2431-50-7,"2,3,4-trichlorobut-1-ene","2,3,4-trichlorobut-1-ene",ClCC(Cl)C(=C)Cl,ClCC(Cl)C(=C)Cl,"InChI=1/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2",C4H5Cl3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1300,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.635,WZUZDBPJFHQVJC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.692,227-161-1,5693-14-1,Octadecylsuccinic acid,2-octadecylsuccinic acid,CCCCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)O,"InChI=1/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h20H,2-19H2,1H3,(H,23,24)(H,25,26)",C22H42O4,,,,,,ZPJDFKVKOFGAFV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.704,227-174-2,5697-56-3,Carbenoxolone,3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid,CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)OC(=O)CCC(=O)O,CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)OC(=O)CCC(=O)O,"InChI=1/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)",C34H50O7,,,,,,OBZHEBDUNPOCJG-WBXJDKIVSA-N,,,,,,,,,,,
100.024.706,227-176-3,5698-56-6,Sodium 4-[(dichloroamino)sulphonyl]benzoate,sodium 4-(dichlorosulfamoyl)benzoate,[Na+].[O-]C(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,[Na+].[O-]C(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,"InChI=1/C7H5Cl2NO4S.Na/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12;/h1-4H,(H,11,12);/q;+1/p-1",C7H5Cl2NO4S.Na,,,,,,QTHWRGNWAMGOMB-UHFFFAOYSA-M,,,,,,,,,,,
100.024.707,227-177-9,5698-98-6,Magnesium acrylate,magnesium diacrylate,[Mg+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Mg+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Mg/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Mg,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13439,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.707,DWLAVVBOGOXHNH-UHFFFAOYSA-L,,,,,,,,,,,
100.024.710,227-181-0,5699-58-1,"2,4-dioxovaleric acid","2,4-dioxopentanoic acid",CC(=O)CC(=O)C(=O)O,CC(=O)CC(=O)C(=O)O,"InChI=1/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)",C5H6O4,,,,,,UNRQTHVKJQUDDF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.713,227-184-7,5700-28-7,Ethynyltriethoxysilane,triethoxy(ethynyl)silane,CCO[Si](OCC)(OCC)C#C,CCO[Si](OCC)(OCC)C#C,"InChI=1/C8H16O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h4H,5-7H2,1-3H3",C8H16O3Si,,,,,,CDZULFMEYKOAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.715,227-186-8,5700-49-2,Ethylenediammonium diiodide,"ethane-1,2-diaminium diiodide",[I-].[I-].[NH3+]CC[NH3+],[I-].[I-].[NH3+]CC[NH3+],InChI=1/C2H8N2.2HI/c3-1-2-4;;/h1-4H2;2*1H,C2H8N2.2HI,,,,,,IWNWLPUNKAYUAW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.736,231-609-1,7/02/7651,N-[3-(dimethylamino)propyl]stearamide,N-[3-(dimethylamino)propyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1/C23H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26)",C23H48N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14377,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.736,WWVIUVHFPSALDO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.740,231-613-3,7651-86-7,Phenanthren-4-ol,phenanthren-4-ol,Oc1cccc2ccc3ccccc3c12,Oc1cccc2ccc3ccccc3c12,"InChI=1/C14H10O/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9,15H",C14H10O,,,,,,SIMYIUXARJLHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.029.382,232-322-4,8003-69-8,Trisodium 6-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3-[[4-[[4-amino-6(or 7)-sulphonatonaphthyl]azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,trisodium 6-amino-3-{[7-({4-[(4-amino-7-sulfonato-1-naphthyl)diazenyl]phenyl}diazenyl)-8-hydroxy-6-sulfonato-2-naphthyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].Nc1ccc2cc(c(N=Nc3ccc4cc(c(N=Nc5ccc(cc5)N=Nc6ccc(N)c7ccc(cc67)S(=O)(=O)[O-])c(O)c4c3)S(=O)(=O)[O-])c(O)c2c1)S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1ccc2cc(c(N=Nc3ccc4cc(c(N=Nc5ccc(cc5)N=Nc6ccc(N)c7ccc(cc67)S(=O)(=O)[O-])c(O)c4c3)S(=O)(=O)[O-])c(O)c2c1)S(=O)(=O)[O-],"InChI=1/C36H26N8O11S3.3Na/c37-20-3-1-18-13-31(57(50,51)52)33(35(45)26(18)15-20)44-41-23-4-2-19-14-32(58(53,54)55)34(36(46)27(19)16-23)43-40-22-7-5-21(6-8-22)39-42-30-12-11-29(38)25-10-9-24(17-28(25)30)56(47,48)49;;;/h1-17,45-46H,37-38H2,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C36H26N8O11S3.3Na,,,,,,ZHFRUBUQJRJWPO-UHFFFAOYSA-K,,,,,,,,,,,
100.029.386,232-327-1,8003-87-0,"Disodium 5,5'-[thiobis(phenyleneazo)]disalicylate","disodium 3,3'-[sulfanediylbis(2,1-phenylenediazene-2,1-diyl)]bis(6-hydroxybenzoate)",[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc4ccccc4Sc3ccccc3N=Nc2cc(C([O-])=O)c(O)cc2,[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc4ccccc4Sc3ccccc3N=Nc2cc(C([O-])=O)c(O)cc2,"InChI=1/C26H18N4O6S.2Na/c31-21-11-9-15(13-17(21)25(33)34)27-29-19-5-1-3-7-23(19)37-24-8-4-2-6-20(24)30-28-16-10-12-22(32)18(14-16)26(35)36;;/h1-14,31-32H,(H,33,34)(H,35,36);;/q;2*+1/p-2",C26H18N4O6S.2Na,,,,,,KUWOLARKJDZTOD-UHFFFAOYSA-L,,,,,,,,,,,
100.028.287,231-116-1,4/06/7440,Platinum,platinum(2+),[Pt],[Pt],InChI=1/Pt/q+2,Pt,,,,,,BASFCYQUMIYNBI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.291,231-120-3,7440-10-0,Praseodymium,praseodymium,[Pr],[Pr],InChI=1/Pr/q+3,Pr,,,,,,PUDIUYLPXJFUGB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.293,231-122-4,7440-14-4,Radium,radium,[Ra],[Ra],InChI=1/Ra/q+2,Ra,,,,,,HCWPIIXVSYCSAN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.299,231-129-2,7440-20-2,Scandium,scandium,[Sc],[Sc],InChI=1/Sc/q+3,Sc,,,,,,SIXSYDAISGFNSX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.300,231-130-8,7440-21-3,Silicon,silane,[SiH4],[SiH4],InChI=1/H4Si/h1H4,Si,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1343,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.300,BLRPTPMANUNPDV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.301,231-131-3,7440-22-4,Silver,silver(1+),[Ag],[Ag],InChI=1/Ag/q+1,Ag,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16155,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.301,BQCADISMDOOEFD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.304,231-135-5,7440-25-7,Tantalum,tantalum(2+),[Ta],[Ta],InChI=1/Ta/q+2,Ta,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14434,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.304,GUVRBAGPIYLISA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.247,220-070-8,2622-21-1,1-vinylcyclohexene,1-vinylcyclohexene,C=CC1=CCCCC1,C=CC1=CCCCC1,"InChI=1/C8H12/c1-2-8-6-4-3-5-7-8/h2,6H,1,3-5,7H2",C8H12,,,,,,SDRZFSPCVYEJTP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.248,220-071-3,2622-26-6,Periciazine,10-[3-(4-hydroxypiperidin-1-yl)propyl]-10H-phenothiazine-2-carbonitrile,OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1,OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1,"InChI=1/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2",C21H23N3OS,,,,,,LUALIOATIOESLM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.249,220-072-9,2622-30-2,Carfenazine,1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one,CCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1,CCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1,"InChI=1/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3",C24H31N3O2S,,,,,,XZSMZRXAEFNJCU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.569,217-125-3,1746-13-0,Allyl phenyl ether,(allyloxy)benzene,C=CCOc1ccccc1,C=CCOc1ccccc1,"InChI=1/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2",C9H10O,,,,,,POSICDHOUBKJKP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.573,217-130-0,1747-60-0,6-methoxybenzothiazol-2-ylamine,"6-methoxy-1,3-benzothiazol-2-amine",COc1ccc2nc(N)sc2c1,COc1ccc2nc(N)sc2c1,"InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)",C8H8N2OS,,,,,,KZHGPDSVHSDCMX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.578,217-135-8,1750-12-5,"4-amino-5-thioxo-1,2,4-triazolidin-3-one hydrazone","4-amino-5-hydrazono-1,2,4-triazolidine-3-thione",NN=C1NNC(=S)N1N,NN=C1NNC(=S)N1N,"InChI=1/C2H6N6S/c3-5-1-6-7-2(9)8(1)4/h3-4H2,(H,5,6)(H,7,9)",C2H6N6S,,,,,,RDIMQHBOTMWMJA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.584,217-142-6,1754-47-8,Dioctyl phenylphosphonate,dioctyl phenylphosphonate,CCCCCCCCOP(=O)(OCCCCCCCC)c1ccccc1,CCCCCCCCOP(=O)(OCCCCCCCC)c1ccccc1,"InChI=1/C22H39O3P/c1-3-5-7-9-11-16-20-24-26(23,22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3",C22H39O3P,,,,,,HAKMAMKAFTZXOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.599,217-158-3,1758-88-9,2-ethyl-p-xylene,"2-ethyl-1,4-dimethylbenzene",CCc1cc(C)ccc1C,CCc1cc(C)ccc1C,"InChI=1/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3",C10H14,,,,,,AXIUBBVSOWPLDA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.603,217-163-0,1759-58-6,"trans-1,3-dimethylcyclopentane","1,3-dimethylcyclopentane",C[C@H]1CC[C@H](C)C1,C[C@H]1CC[C@H](C)C1,"InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3",C7H14,,,,,,XAZKFISIRYLAEE-BQBZGAKWSA-N,,,,,,,,,,,
100.015.606,217-166-7,1761-56-4,o-[[(2-hydroxyphenyl)imino]methyl]phenol,2-[(2-hydroxybenzylidene)amino]phenol,Oc2ccccc2N=Cc1ccccc1O,Oc2ccccc2N=Cc1ccccc1O,"InChI=1/C13H11NO2/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H",C13H11NO2,,,,,,CHBGIQHEGBKNGA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.608,217-168-8,1761-71-3,"4,4'-methylenebis(cyclohexylamine)","4,4'-methylenedicyclohexanamine",NC1CCC(CC2CCC(N)CC2)CC1,NC1CCC(CC2CCC(N)CC2)CC1,"InChI=1/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2",C13H26N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12196,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.608,DZIHTWJGPDVSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.862,219-647-7,2490-97-3,N2-acetyl-L-glutamine,N~2~-acetyl-L-glutamine,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,"InChI=1/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)",C7H12N2O4,,,,,,KSMRODHGGIIXDV-YFKPBYRVSA-N,,,,,,,,,,,
100.017.864,219-649-8,2491-15-8,N-formylglycine,N-formylglycine,OC(=O)CNC=O,OC(=O)CNC=O,"InChI=1/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7)",C3H5NO3,,,,,,UGJBHEZMOKVTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.865,219-650-3,2491-17-0,4-[2-[(cyclohexylcarbonimidoyl)amino]ethyl]-4-methylmorpholinium toluene-p-sulphonate,4-(2-{[(cyclohexylimino)methylene]amino}ethyl)-4-methylmorpholin-4-ium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].C[N+]2(CCN=C=NC3CCCCC3)CCOCC2,Cc1ccc(cc1)S(=O)(=O)[O-].C[N+]2(CCN=C=NC3CCCCC3)CCOCC2,"InChI=1/C14H26N3O.C7H8O3S/c1-17(9-11-18-12-10-17)8-7-15-13-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h14H,2-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C14H26N3O.C7H7O3S,,,,,,GBCAVSYHPPARHX-UHFFFAOYSA-M,,,,,,,,,,,
100.017.866,219-651-9,2491-18-1,Methyl L-methionate hydrochloride,methyl L-methioninate hydrochloride,Cl.COC(=O)[C@@H](N)CCSC,Cl.COC(=O)[C@@H](N)CCSC,"InChI=1/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H",C6H13NO2S.ClH,,,,,,MEVUPUNLVKELNV-JEDNCBNOSA-N,,,,,,,,,,,
100.019.375,221-312-5,3064-73-1,Tetra(isobutyl)thioperoxydicarbamic acid,"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetrakis(2-methylpropane)",CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C,CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C,"InChI=1/C18H36N2S4/c1-13(2)9-19(10-14(3)4)17(21)23-24-18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3",C18H36N2S4,,,,,,QOTYLQBPNZRMNL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.749,227-223-8,5720-26-3,5-(2-aminoethyl)pyrogallol hydrochloride,"5-(2-aminoethyl)benzene-1,2,3-triol hydrochloride",Cl.NCCc1cc(O)c(O)c(O)c1,Cl.NCCc1cc(O)c(O)c(O)c1,"InChI=1/C8H11NO3.ClH/c9-2-1-5-3-6(10)8(12)7(11)4-5;/h3-4,10-12H,1-2,9H2;1H",C8H11NO3.ClH,,,,,,WSZSSLCEWCKAKU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.378,229-015-2,6401-98-5,5-oxo-1-phenyl-2-pyrazoline-3-carboxamide,"5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide",NC(=O)C1=NN(C(=O)C1)c2ccccc2,NC(=O)C1=NN(C(=O)C1)c2ccccc2,"InChI=1/C10H9N3O2/c11-10(15)8-6-9(14)13(12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,15)",C10H9N3O2,,,,,,SPFXLCCBWAJCHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.380,229-017-3,6402-08-0,"2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(4-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2ccc(N)cc2,CC1=NN(C(=O)C1)c2ccc(N)cc2,"InChI=1/C10H11N3O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6,11H2,1H3",C10H11N3O,,,,,,VNXUPEPDMYVBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.383,229-021-5,6404-31-5,"1-benzyl hydrogen (R)-pyrrolidine-1,2-dicarboxylate",1-[(benzyloxy)carbonyl]-D-proline,OC(=O)[C@H]1CCCN1C(=O)OCc2ccccc2,OC(=O)[C@H]1CCCN1C(=O)OCc2ccccc2,"InChI=1/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)",C13H15NO4,,,,,,JXGVXCZADZNAMJ-LLVKDONJSA-N,,,,,,,,,,,
100.029.403,232-346-5,8006-22-2,"Gallic acid, zinc salt, basic",-,[Zn+2].Oc1cc(cc(O)c1O)C(=O)[O-],[Zn+2].Oc1cc(cc(O)c1O)C(=O)[O-],"InChI=1/C7H6O5.Zn/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+2/p-1",-,,,,,,WFODNDLJMITASQ-UHFFFAOYSA-M,,,,,,,,,,,
100.029.413,232-357-5,8007-35-0,"Terpineol, acetate",1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate,CC(=O)OC(C)(C)C1CCC(=CC1)C,CC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,,,,,,IGODOXYLBBXFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.347,231-182-1,7440-84-8,Hydrogen 3-(2-carboxylatoethyl)-2-[2-[[3-(2-carboxylatoethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium,"hydrogen 3-[2-(2-{[3-(2-carboxylatoethyl)-5-chloro-1,3-benzothiazol-3-ium-2-yl]methylene}butylidene)-5-chloro-1,3-benzothiazol-3(2H)-yl]propanoate",[H+].[O-]C(=O)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC([O-])=O,[H+].[O-]C(=O)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC([O-])=O,"InChI=1/C25H22Cl2N2O4S2.H2/c1-2-15(11-22-28(9-7-24(30)31)18-13-16(26)3-5-20(18)34-22)12-23-29(10-8-25(32)33)19-14-17(27)4-6-21(19)35-23;/h3-6,11-14H,2,7-10H2,1H3,(H-,30,31,32,33);1H/q;+1/p-1",C25H22Cl2N2O4S2,,,,,,DQSWTRXLMLPWPV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.353,231-188-4,7443-72-3,"13-ethyl-3-methoxygona-1,3,5(10),8-tetraen-17ß-ol","13-ethyl-3-methoxy-7,11,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",CC[C@]12CCC3=C(CCc4cc(OC)ccc34)[C@@H]1CC[C@@H]2O,CC[C@]12CCC3=C(CCc4cc(OC)ccc34)[C@@H]1CC[C@@H]2O,"InChI=1/C20H26O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,18-19,21H,3-4,6,8-11H2,1-2H3",C20H26O2,,,,,,VOVSXUVLXBTVLM-UFYCRDLUSA-N,,,,,,,,,,,
100.028.355,231-191-0,7445-27-4,"Methyl 2,5-dioxooxazolidine-4-propionate","methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate",COC(=O)CCC1NC(=O)OC1=O,COC(=O)CCC1NC(=O)OC1=O,"InChI=1/C7H9NO5/c1-12-5(9)3-2-4-6(10)13-7(11)8-4/h4H,2-3H2,1H3,(H,8,11)",C7H9NO5,,,,,,JRZZMWDRALHNFH-UHFFFAOYSA-N,,,,,,,,,,,
100.029.255,232-180-3,7789-64-2,Iridium tetrabromide,-,[Br-].[Br-].[Br-].[Br-].[Ir+3],[Br-].[Br-].[Br-].[Br-].[Ir+3],InChI=1/4BrH.Ir/h4*1H;/q;;;;+3/p-4,Br4Ir,,,,,,DDUZDJVHYXDEPF-UHFFFAOYSA-J,,,,,,,,,,,
100.029.259,232-185-0,7789-68-6,Titanium tetrabromide,titanium tetrabromide,[Br-].[Br-].[Br-].[Br-].[Ti+2].[Ti+2],[Br-].[Br-].[Br-].[Br-].[Ti+2].[Ti+2],InChI=1/4BrH.2Ti/h4*1H;;/q;;;;2*+2/p-4,Br4Ti,,,,,,MKEOCFFSVGKKFM-UHFFFAOYSA-J,,,,,,,,,,,
100.029.262,232-188-7,7789-75-5,Calcium fluoride,calcium difluoride,[F-].[F-].[Ca+2],[F-].[F-].[Ca+2],InChI=1/Ca.2FH/h;2*1H/q+2;;/p-2,CaF2,Full,Joint,100000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15129,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.262,WUKWITHWXAAZEY-UHFFFAOYSA-L,,,,,,,,,,,
100.029.265,232-191-3,7789-80-2,Calcium iodate,calcium diiodate,[Ca+2].[O-]I(=O)=O.[O-]I(=O)=O,[Ca+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Ca.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",Ca.2HIO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5810,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.265,UHWJJLGTKIWIJO-UHFFFAOYSA-L,,,,,,,,,,,
100.029.269,232-196-0,7790-21-8,Potassium periodate,potassium periodate,[K+].[O-]I(=O)(=O)=O,[K+].[O-]I(=O)(=O)=O,"InChI=1/HIO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",HIO4.K,,,,,,FJVZDOGVDJCCCR-UHFFFAOYSA-M,,,,,,,,,,,
100.029.271,232-198-1,7790-29-6,Rubidium iodide,rubidium iodide,[Rb+].[I-],[Rb+].[I-],InChI=1/HI.Rb/h1H;/q;+1/p-1,IRb,,,,,,WFUBYPSJBBQSOU-UHFFFAOYSA-M,,,,,,,,,,,
100.026.751,229-425-1,6530-36-5,Isonicotinaldehyde O-benzyloxime,isonicotinaldehyde O-benzyloxime,C(O\\N=C\\c1ccncc1)c2ccccc2,C(O\N=C\c1ccncc1)c2ccccc2,"InChI=1/C13H12N2O/c1-2-4-13(5-3-1)11-16-15-10-12-6-8-14-9-7-12/h1-10H,11H2",C13H12N2O,,,,,,DUCOZYAQYJSURU-XNTDXEJSSA-N,,,,,,,,,,,
100.017.636,219-398-4,2431-54-1,"1,2,4-trichlorobut-2-ene","1,2,4-trichlorobut-2-ene",ClCC=C(Cl)CCl,ClCC=C(Cl)CCl,"InChI=1/C4H5Cl3/c5-2-1-4(7)3-6/h1H,2-3H2",C4H5Cl3,,,,,,SXCATGXBSQWDDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.637,219-400-3,2431-96-1,"N,N-diethylphenylacetamide","N,N-diethyl-2-phenylacetamide",CCN(CC)C(=O)Cc1ccccc1,CCN(CC)C(=O)Cc1ccccc1,"InChI=1/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",C12H17NO,,,,,,UXDAWVUDZLBBAM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.642,219-406-6,2432-43-1,S-propyl propanethioate,S-propyl propanethioate,CCCSC(=O)CC,CCCSC(=O)CC,"InChI=1/C6H12OS/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3",C6H12OS,,,,,,CLBGDLKFLYZLDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.647,219-411-3,2432-87-3,Dioctyl sebacate,dioctyl sebacate,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,"InChI=1/C26H50O4/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h3-24H2,1-2H3",C26H50O4,,,,,,MIMDHDXOBDPUQW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.650,219-415-5,2432-90-8,Didodecyl phthalate,didodecyl phthalate,CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC,"InChI=1/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3",C32H54O4,,,,,,PUFGCEQWYLJYNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.238,216-760-3,1658-56-6,Sodium 4(-2-hydroxy-1-naphthylazo)naphthalenesulphonate,sodium 4-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate,Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)S(=O)(=O)O[Na],Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)S(=O)(=O)O[Na],"InChI=1/C20H14N2O4S.Na/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17;/h1-12,23H,(H,24,25,26);/q;+1/p-1/rC20H13N2NaO4S/c23-27-28(25,26)19-12-10-17(15-7-3-4-8-16(15)19)21-22-20-14-6-2-1-5-13(14)9-11-18(20)24/h1-12,24H",C20H14N2O4S.Na,,,,,,LGZQSRCLLIPAEE-UHFFFAOYSA-M,,,,,,,,,,,
100.015.241,216-764-5,1660-94-2,Tetraethyl methylenebisphosphonate,tetraethyl methylenebis(phosphonate),CCOP(=O)(CP(=O)(OCC)OCC)OCC,CCOP(=O)(CP(=O)(OCC)OCC)OCC,"InChI=1/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3",C9H22O6P2,,,,,,STJWVOQLJPNAQL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.244,216-767-1,1662-01-7,"4,7-diphenyl-1,10-phenanthroline","4,7-diphenyl-1,10-phenanthroline",c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5ccccc5,c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5ccccc5,InChI=1/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H,C24H16N2,,,,,,DHDHJYNTEFLIHY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.376,216-913-4,1696-20-4,4-acetylmorpholine,4-acetylmorpholine,CC(=O)N1CCOCC1,CC(=O)N1CCOCC1,"InChI=1/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3",C6H11NO2,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/12471,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.376,KYWXRBNOYGGPIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.377,216-915-5,1696-70-4,"3,4-bis(acetoxymethyl)-5-hydroxy-6-methylpyridinium chloride","4,5-bis(acetoxymethyl)-3-hydroxy-2-methylpyridinium chloride",[Cl-].CC(=O)OCc1c[nH+]c(C)c(O)c1COC(=O)C,[Cl-].CC(=O)OCc1c[nH+]c(C)c(O)c1COC(=O)C,"InChI=1/C12H15NO5.ClH/c1-7-12(16)11(6-18-9(3)15)10(4-13-7)5-17-8(2)14;/h4,16H,5-6H2,1-3H3;1H",C12H15NO5.ClH,,,,,,INIGHQHGYJXFAS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.378,216-916-0,1696-81-7,Dodecyl 5-methyl-8-quinolyl sulphate,dodecyl 5-methylquinolin-8-yl sulfate,CCCCCCCCCCCCOS(=O)(=O)Oc1ccc(C)c2cccnc12,CCCCCCCCCCCCOS(=O)(=O)Oc1ccc(C)c2cccnc12,"InChI=1/C22H33NO4S/c1-3-4-5-6-7-8-9-10-11-12-18-26-28(24,25)27-21-16-15-19(2)20-14-13-17-23-22(20)21/h13-17H,3-12,18H2,1-2H3",C22H33NO4S,,,,,,NJSZNNCKAINTGE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.383,216-921-8,1698-63-1,5-bromo-4-chloro-2-phenylpyridazin-3(2H)-one,5-bromo-4-chloro-2-phenylpyridazin-3(2H)-one,ClC1=C(Br)C=NN(C1=O)c2ccccc2,ClC1=C(Br)C=NN(C1=O)c2ccccc2,InChI=1/C10H6BrClN2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H,C10H6BrClN2O,,,,,,DKQRNDGOJIYNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.394,216-933-3,1701-77-5,Methoxy(phenyl)acetic acid,methoxy(phenyl)acetic acid,COC(C(=O)O)c1ccccc1,COC(C(=O)O)c1ccccc1,"InChI=1/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)",C9H10O3,,,,,,DIWVBIXQCNRCFE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.398,216-938-0,1703-58-8,"Butane-1,2,3,4-tetracarboxylic acid","butane-1,2,3,4-tetracarboxylic acid",OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O,OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O,"InChI=1/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)",C8H10O8,,,,,,GGAUUQHSCNMCAU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.407,216-948-5,1707-03-5,Diphenylphosphinic acid,diphenylphosphinic acid,OP(=O)(c1ccccc1)c2ccccc2,OP(=O)(c1ccccc1)c2ccccc2,"InChI=1/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)",C12H11O2P,,,,,,BEQVQKJCLJBTKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.312,231-143-9,7440-33-7,Tungsten,tungsten(2+),[W],[W],InChI=1/W/q+2,W,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15495,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.312,WFKWXMTUELFFGS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.313,231-144-4,7440-35-9,Americium,americium(3+),[Am],[Am],InChI=1/Am/q+3,Am,,,,,,LXQXZNRPTYVCNG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.317,231-149-1,7440-39-3,Barium,barium,[Ba],[Ba],InChI=1/Ba/q+2,Ba,,,,,,DSAJWYNOEDNPEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.318,231-150-7,7440-41-7,Beryllium,beryllium,[BeH2],[BeH2],InChI=1/Be.2H/q+2;;/rBeH2/h1H2/q+2,Be,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14917,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.318,RWASOQSEFLDYLC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.322,231-154-9,7440-45-1,Cerium,cerium(3+),[Ce],[Ce],InChI=1/Ce/q+3,Ce,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1986,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.322,GWXLDORMOJMVQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.327,231-160-1,7440-52-0,Erbium,erbium,[Er],[Er],InChI=1/Er/q+3,Er,,,,,,UYAHIZSMUZPPFV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.329,231-162-2,7440-54-2,Gadolinium,gadolinium,[Gd],[Gd],InChI=1/Gd/q+3,Gd,,,,,,UIWYJDYFSGRHKR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.331,231-164-3,7440-56-4,Germanium,germanium(4+),[Ge+],[Ge+],InChI=1/Ge/q+4,Ge,,,,,,GJURCGDBQJCAEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.340,231-174-8,7440-65-5,Yttrium,yttrium,[Y],[Y],InChI=1/Y/q+3,Y,,,,,,VWQVUPCCIRVNHF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.342,231-176-9,7440-67-7,Zirconium,zirconium(2+),[Zr],[Zr],InChI=1/Zr/q+2,Zr,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13595,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.342,QCWXUUIWCKQGHC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.076,227-584-1,5895-51-2,Diholmium tricarbonate,diholmium tricarbonate,[Ho+3].[Ho+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Ho+3].[Ho+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Ho/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Ho,,,,,,FZKKGPOEHOOXQE-UHFFFAOYSA-H,,,,,,,,,,,
100.025.078,227-586-2,5895-53-4,Dilutetium tricarbonate,dilutetium tricarbonate,[Lu+3].[Lu+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Lu+3].[Lu+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Lu/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Lu,,,,,,UMTLFFUVLKOSNA-UHFFFAOYSA-H,,,,,,,,,,,
100.025.093,227-602-8,5905-22-6,Disodium 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-({3-[(4-aminobenzoyl)amino]benzoyl}amino)-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].Nc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccc6c(c3)cc(c(N=Nc5ccc(N=Nc4ccc(cc4)S([O-])(=O)=O)cc5)c6O)S([O-])(=O)=O,[Na+].[Na+].Nc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccc6c(c3)cc(c(N=Nc5ccc(N=Nc4ccc(cc4)S([O-])(=O)=O)cc5)c6O)S([O-])(=O)=O,"InChI=1/C36H27N7O9S2.2Na/c37-24-6-4-21(5-7-24)35(45)38-28-3-1-2-22(18-28)36(46)39-29-14-17-31-23(19-29)20-32(54(50,51)52)33(34(31)44)43-42-26-10-8-25(9-11-26)40-41-27-12-15-30(16-13-27)53(47,48)49;;/h1-20,44H,37H2,(H,38,45)(H,39,46)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C36H27N7O9S2.2Na,,,,,,MOGBMBYPOADVPS-UHFFFAOYSA-L,,,,,,,,,,,
100.025.097,227-607-5,5905-51-1,Diiron trimalate,diiron trimalate,[Fe+3].[Fe+3].OC(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)C([O-])=O,[Fe+3].[Fe+3].OC(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)C([O-])=O,"InChI=1/3C4H6O5.2Fe/c3*5-2(4(8)9)1-3(6)7;;/h3*2,5H,1H2,(H,6,7)(H,8,9);;/q;;;2*+3/p-6",C4H6O5.2/3Fe,,,,,,JLLRXSCNTCSLFX-UHFFFAOYSA-H,,,,,,,,,,,
100.025.101,227-611-7,5908-27-0,"Potassium 1,2-naphthoquinone-4-sulphonate","3,4-dioxo-3,4-dihydronaphthalene-1-sulfonic acid",OS(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,OS(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,"InChI=1/C10H6O5S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,(H,13,14,15)",C10H6O5S.K,,,,,,PZTGRDMCBZUJDL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.105,227-615-9,5908-81-6,Barium tartrate,barium tartarate,[Ba+2].OC(C(O)C(=O)[O-])C(=O)[O-],[Ba+2].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Ba/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2",C4H6O6.Ba,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16335,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.105,HQYOWPDUMCBSLQ-UHFFFAOYSA-L,,,,,,,,,,,
100.025.107,227-618-5,5908-95-2,Atropine salicylate,2-hydroxybenzoic acid - 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate (1:1),CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.OC(=O)c4ccccc4O,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.OC(=O)c4ccccc4O,"InChI=1/C17H23NO3.C7H6O3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;8-6-4-2-1-3-5(6)7(9)10/h2-6,13-16,19H,7-11H2,1H3;1-4,8H,(H,9,10)",C17H23NO3.C7H6O3,,,,,,IZZLGHLOPJMTHW-RIMUKSHESA-N,,,,,,,,,,,
100.025.111,227-622-7,5910-47-4,"2,4,5-trichlorophenyl 5-oxo-L-prolinate","2,4,5-trichlorophenyl 5-oxo-L-prolinate",Clc1cc(Cl)c(OC(=O)[C@@H]2CCC(=O)N2)cc1Cl,Clc1cc(Cl)c(OC(=O)[C@@H]2CCC(=O)N2)cc1Cl,"InChI=1/C11H8Cl3NO3/c12-5-3-7(14)9(4-6(5)13)18-11(17)8-1-2-10(16)15-8/h3-4,8H,1-2H2,(H,15,16)",C11H8Cl3NO3,,,,,,DEPSACIPTIZHFP-QMMMGPOBSA-N,,,,,,,,,,,
100.025.112,227-623-2,5910-52-1,1-methyl N-L-a-aspartyl-3-phenyl-L-alaninate monohydrochloride,methyl L-alpha-aspartylphenylalaninate hydrochloride,Cl.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,Cl.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,"InChI=1/C14H18N2O5.ClH/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);1H",C14H18N2O5.ClH,,,,,,AAQFSZFQCXLMNT-ACMTZBLWSA-N,,,,,,,,,,,
100.019.383,221-320-9,3066-84-0,"2-amino-8-bromo-1,7-dihydro-6H-purin-6-one","2-amino-8-bromo-1,9-dihydro-6H-purin-6-one",NC1=Nc2[nH]c(Br)nc2C(=O)N1,NC1=Nc2[nH]c(Br)nc2C(=O)N1,"InChI=1/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)",C5H4BrN5O,,,,,,CRYCZDRIXVHNQB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.395,221-334-5,3069-25-8,N-methyl-3-(trimethoxysilyl)propylamine,N-methyl-3-(trimethoxysilyl)propan-1-amine,CNCCC[Si](OC)(OC)OC,CNCCC[Si](OC)(OC)OC,"InChI=1/C7H19NO3Si/c1-8-6-5-7-12(9-2,10-3)11-4/h8H,5-7H2,1-4H3",C7H19NO3Si,,,,,,DVYVMJLSUSGYMH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.355,223-489-4,3920-61-4,3-hydroxy-N-nitropyridine-2-carboxamide,3-hydroxy-N-nitropyridine-2-carboxamide,Oc1cccnc1C(=O)N[N+](=O)[O-],Oc1cccnc1C(=O)N[N+](=O)[O-],"InChI=1/C6H5N3O4/c10-4-2-1-3-7-5(4)6(11)8-9(12)13/h1-3,10H,(H,8,11)",C6H5N3O4,,,,,,LOVYOAUMMLYBON-UHFFFAOYSA-N,,,,,,,,,,,
100.021.357,223-492-0,3922-28-9,"1,12-dichlorododecane","1,12-dichlorododecane",ClCCCCCCCCCCCCCl,ClCCCCCCCCCCCCCl,InChI=1/C12H24Cl2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2,C12H24Cl2,,,,,,RNXPZVYZVHJVHM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.358,223-493-6,3922-40-5,"1,10-phenanthroline-4,7-diol","1,10-phenanthroline-4,7-diol",Oc1ccnc2c1ccc3c(O)ccnc23,Oc1ccnc2c1ccc3c(O)ccnc23,"InChI=1/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)",C12H8N2O2,,,,,,SLIBCJURSADKPV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.362,223-497-8,3924-70-7,Amcinafal,"8,8-diethyl-4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CCC1(CC)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,CCC1(CC)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1/C26H35FO6/c1-5-24(6-2)32-21-12-18-17-8-7-15-11-16(29)9-10-22(15,3)25(17,27)19(30)13-23(18,4)26(21,33-24)20(31)14-28/h9-11,17-19,21,28,30H,5-8,12-14H2,1-4H3",C26H35FO6,,,,,,NSZFBGIRFCHKOE-LFZVSNMSSA-N,,,,,,,,,,,
100.016.381,218-017-9,2039-67-0,m-methoxyphenethylamine,2-(3-methoxyphenyl)ethanamine,COc1cccc(CCN)c1,COc1cccc(CCN)c1,"InChI=1/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3",C9H13NO,,,,,,WJBMRZAHTUFBGE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.385,218-022-6,2039-82-9,4-bromostyrene,1-bromo-4-vinylbenzene,Brc1ccc(C=C)cc1,Brc1ccc(C=C)cc1,"InChI=1/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2",C8H7Br,,,,,,WGGLDBIZIQMEGH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.386,218-023-1,2039-83-0,"3,4-dichlorostyrene","1,2-dichloro-4-vinylbenzene",Clc1ccc(C=C)cc1Cl,Clc1ccc(C=C)cc1Cl,"InChI=1/C8H6Cl2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1H2",C8H6Cl2,,,,,,BJQFWAQRPATHTR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.392,218-029-4,2039-90-9,"2,6-dimethylstyrene","1,3-dimethyl-2-vinylbenzene",Cc1cccc(C)c1C=C,Cc1cccc(C)c1C=C,"InChI=1/C10H12/c1-4-10-8(2)6-5-7-9(10)3/h4-7H,1H2,2-3H3",C10H12,,,,,,OWRKXOZFTROHSH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.393,218-031-5,2039-96-5,Sodium 3-(trimethylsilyl)propane-1-sulphonate hydrate,sodium 3-(trimethylsilyl)propane-1-sulfonate hydrate,O.[Na+].C[Si](C)(C)CCCS(=O)(=O)[O-],O.[Na+].C[Si](C)(C)CCCS(=O)(=O)[O-],"InChI=1/C6H16O3SSi.Na.H2O/c1-11(2,3)6-4-5-10(7,8)9;;/h4-6H2,1-3H3,(H,7,8,9);;1H2/q;+1;/p-1",C6H16O3SSi.Na,,,,,,USHJXRFOMFFRJS-UHFFFAOYSA-M,,,,,,,,,,,
100.016.395,218-033-6,9/01/2040,1-(pentamethylphenyl)ethan-1-one,1-(pentamethylphenyl)ethanone,CC(=O)c1c(C)c(C)c(C)c(C)c1C,CC(=O)c1c(C)c(C)c(C)c(C)c1C,InChI=1/C13H18O/c1-7-8(2)10(4)13(12(6)14)11(5)9(7)3/h1-6H3,C13H18O,,,,,,CTTYWXDVWGKHKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.772,221-749-1,3221-64-5,"2,2'-[[2,2-bis[[[(2-hydroxyphenyl)methylene]amino]methyl]propane-1,3-diyl]bis(nitrilomethylidyne)]bisphenol","2-{[(3-[(2-hydroxybenzylidene)amino]-2,2-bis{[(2-hydroxybenzylidene)amino]methyl}propyl)imino]methyl}phenol",Oc4ccccc4C=NCC(CN=Cc1ccccc1O)(CN=Cc2ccccc2O)CN=Cc3ccccc3O,Oc4ccccc4C=NCC(CN=Cc1ccccc1O)(CN=Cc2ccccc2O)CN=Cc3ccccc3O,"InChI=1/C33H32N4O4/c38-29-13-5-1-9-25(29)17-34-21-33(22-35-18-26-10-2-6-14-30(26)39,23-36-19-27-11-3-7-15-31(27)40)24-37-20-28-12-4-8-16-32(28)41/h1-20,38-41H,21-24H2",C33H32N4O4,,,,,,AUGGJOPHYLIYTD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.779,221-757-5,3226-36-6,Ammonium dimethyldithiocarbamate,ammonium dimethyldithiocarbamate,[NH4+].CN(C)C(=S)[S-],[NH4+].CN(C)C(=S)[S-],"InChI=1/C3H7NS2.H3N/c1-4(2)3(5)6;/h1-2H3,(H,5,6);1H3",C3H7NS2.H3N,,,,,,MTCQXZCDHOPYSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.790,221-769-0,3230-65-7,"3,4-dihydroisoquinoline","3,4-dihydroisoquinoline",C1Cc2ccccc2C=N1,C1Cc2ccccc2C=N1,"InChI=1/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2",C9H9N,,,,,,NKSZCPBUWGZONP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.801,221-781-6,3234-28-4,Dodecyloxirane,2-dodecyloxirane,CCCCCCCCCCCCC1CO1,CCCCCCCCCCCCC1CO1,"InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3",C14H28O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11734,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.801,IOHJQSFEAYDZGF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.802,221-782-1,3234-49-9,"1,2-dibromopentane","1,2-dibromopentane",CCCC(Br)CBr,CCCC(Br)CBr,"InChI=1/C5H10Br2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3",C5H10Br2,,,,,,CITMYAPULDSOHG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.752,229-426-7,4/08/6531,"3,6-dichloropyridazine-4-carbonyl chloride","3,6-dichloropyridazine-4-carbonyl chloride",ClC(=O)c1cc(Cl)nnc1Cl,ClC(=O)c1cc(Cl)nnc1Cl,InChI=1/C5HCl3N2O/c6-3-1-2(5(8)11)4(7)10-9-3/h1H,C5HCl3N2O,,,,,,UGKIAJNNQAMSHX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.759,229-434-0,6533-73-9,Dithallium carbonate,dithallium(1+) carbonate,[Tl+].[Tl+].[O-]C(=O)[O-],[Tl+].[Tl+].[O-]C(=O)[O-],"InChI=1/CH2O3.2Tl/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CH2O3.2Tl,,,,,,DASUJKKKKGHFBF-UHFFFAOYSA-L,,,,,,,,,,,
100.026.762,229-437-7,6535-19-9,"Octanoic acid, manganese salt",-,[Mn].OC(=O)CCCCCCC,[Mn].OC(=O)CCCCCCC,"InChI=1/C8H16O2.Mn/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+2",C8H16O2.xMn,,,,,,MQQZOCWGACIZNI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.772,229-448-7,6537-66-2,"Disodium 2',2'''-(azodi-4,1-phenylene)bis[6-methyl[2,6'-bibenzothiazole]-7-sulphonate]","disodium 6-methyl-2'-(4-{[4-(6-methyl-7-sulfonato-2,6'-bi-1,3-benzothiazol-2'-yl)phenyl]diazenyl}phenyl)-2,5'-bi-1,3-benzothiazole-7-sulfonate",Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc4sc(nc4c3)c5ccc(cc5)N=Nc6ccc(cc6)c7nc8ccc(cc8s7)c9nc%10ccc(C)c(c%10s9)S(=O)(=O)O[Na],Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc4sc(nc4c3)c5ccc(cc5)N=Nc6ccc(cc6)c7nc8ccc(cc8s7)c9nc%10ccc(C)c(c%10s9)S(=O)(=O)O[Na],"InChI=1/C42H26N6O6S6.2Na/c1-21-3-15-30-35(37(21)59(49,50)51)57-41(44-30)25-10-18-33-32(19-25)46-40(55-33)24-7-13-28(14-8-24)48-47-27-11-5-23(6-12-27)39-43-29-17-9-26(20-34(29)56-39)42-45-31-16-4-22(2)38(36(31)58-42)60(52,53)54;;/h3-20H,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/rC42H24N6Na2O6S6/c1-21-3-15-30-35(37(21)61(51,52)55-49)59-41(44-30)25-10-18-33-32(19-25)46-40(57-33)24-7-13-28(14-8-24)48-47-27-11-5-23(6-12-27)39-43-29-17-9-26(20-34(29)58-39)42-45-31-16-4-22(2)38(36(31)60-42)62(53,54)56-50/h3-20H,1-2H3",C42H26N6O6S6.2Na,,,,,,IAPWLZNOTXULLS-UHFFFAOYSA-L,,,,,,,,,,,
100.026.775,229-451-3,6538-35-8,"6,6'-methylenedi-2,4-xylenol","2,2'-methylenebis(4,6-dimethylphenol)",Cc1cc(C)c(O)c(Cc2cc(C)cc(C)c2O)c1,Cc1cc(C)c(O)c(Cc2cc(C)cc(C)c2O)c1,"InChI=1/C17H20O2/c1-10-5-12(3)16(18)14(7-10)9-15-8-11(2)6-13(4)17(15)19/h5-8,18-19H,9H2,1-4H3",C17H20O2,,,,,,FCIMDZFOYJBMLV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.779,229-456-0,6542-24-1,"2,5-dioxooxazolidine-4-acetic acid","(2,5-dioxo-1,3-oxazolidin-4-yl)acetic acid",OC(=O)CC1NC(=O)OC1=O,OC(=O)CC1NC(=O)OC1=O,"InChI=1/C5H5NO5/c7-3(8)1-2-4(9)11-5(10)6-2/h2H,1H2,(H,6,10)(H,7,8)",C5H5NO5,,,,,,XIEMOTJBRREIBH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.783,229-460-2,1/02/6544,Tetraisothiocyanatosilane,tetraisothiocyanatosilane,S=C=N[Si](N=C=S)(N=C=S)N=C=S,S=C=N[Si](N=C=S)(N=C=S)N=C=S,"InChI=1/C4N4S4Si/c9-1-5-13(6-2-10,7-3-11)8-4-12",C4N4S4Si,,,,,,NOGBKWXHNPDHFA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.785,229-462-3,6544-40-7,(R)-5-methyl-2-(1-methylvinyl)hex-4-enal,2-isopropenyl-5-methylhex-4-enal,CC(=CC[C@@H](C=O)C(=C)C)C,CC(=CC[C@@H](C=O)C(=C)C)C,"InChI=1/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,10H,3,6H2,1-2,4H3",C10H16O,,,,,,PAIVGFRXYIGODL-JTQLQIEISA-N,,,,,,,,,,,
100.026.787,229-464-4,6548-09-0,5-bromo-DL-tryptophan,5-bromo-L-tryptophan,OC(=O)[C@@H](N)Cc2cnc1ccc(Br)cc12,OC(=O)[C@@H](N)Cc2cnc1ccc(Br)cc12,"InChI=1/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)",C11H11BrN2O2,,,,,,KZDNJQUJBMDHJW-VIFPVBQESA-N,,,,,,,,,,,
100.026.789,229-467-0,6548-24-9,"Disodium 4,4'-[(phenylmethylene)bis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[3-chloro-5-methylbenzenesulphonate]","disodium 4,4'-{(phenylmethylene)bis[4,1-phenylenediazene-2,1-diyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}bis(3-chloro-5-methylbenzenesulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c1cc(C)c(c(Cl)c1)N7/N=C(/C)C(N=Nc2ccc(cc2)C(c3ccccc3)c4ccc(cc4)N=NC6C(\\C)=N/N(c5c(Cl)cc(cc5C)S([O-])(=O)=O)C6=O)C7=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(C)c(c(Cl)c1)N7/N=C(/C)C(N=Nc2ccc(cc2)C(c3ccccc3)c4ccc(cc4)N=NC6C(\C)=N/N(c5c(Cl)cc(cc5C)S([O-])(=O)=O)C6=O)C7=O,"InChI=1/C41H34Cl2N8O8S2.2Na/c1-22-18-31(60(54,55)56)20-33(42)38(22)50-40(52)36(24(3)48-50)46-44-29-14-10-27(11-15-29)35(26-8-6-5-7-9-26)28-12-16-30(17-13-28)45-47-37-25(4)49-51(41(37)53)39-23(2)19-32(21-34(39)43)61(57,58)59;;/h5-21,35-37H,1-4H3,(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2",C41H34Cl2N8O8S2.2Na,,,,,,COZSRKYXXRGOIH-UHFFFAOYSA-L,,,,,,,,,,,
100.026.790,229-468-6,6548-29-4,"Tetrasodium 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-aminonaphthalene-2,7-disulphonate]","tetrasodium 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-aminonaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].Clc3cc(ccc3N=Nc1c2ccc(cc2cc(c1N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc4c5ccc(cc5cc(c4N)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c6,[Na+].[Na+].[Na+].[Na+].Clc3cc(ccc3N=Nc1c2ccc(cc2cc(c1N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc4c5ccc(cc5cc(c4N)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c6,"InChI=1/C32H22Cl2N6O12S4.4Na/c33-23-11-15(1-7-25(23)37-39-31-21-5-3-19(53(41,42)43)9-17(21)13-27(29(31)35)55(47,48)49)16-2-8-26(24(34)12-16)38-40-32-22-6-4-20(54(44,45)46)10-18(22)14-28(30(32)36)56(50,51)52;;;;/h1-14H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4",C32H22Cl2N6O12S4.4Na,,,,,,CVJSWNBRXDCNDI-UHFFFAOYSA-J,,,,,,,,,,,
100.039.297,243-242-4,19706-58-2,"Hexadecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate","tetradecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctacosa-2,9-dien-1-oate",CCCCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCC,"InChI=1/C20H36O4.C18H32O4.2C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-4-2;/h16-17H,2-15,18H2,1H3,(H,21,22);14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC46H84O8Sn/c1-5-9-13-15-17-19-21-23-24-26-28-30-32-34-40-52-44(48)36-38-46(50)54-55(41-11-7-3,42-12-8-4)53-45(49)37-35-43(47)51-39-33-31-29-27-25-22-20-18-16-14-10-6-2/h35-38H,5-34,39-42H2,1-4H3",C48H88O8Sn,,,,,,UKELJEMQMAFEDP-IFBLKORHSA-L,,,,,,,,,,,
100.039.299,243-245-0,19709-85-4,Dicalcium ethylenediaminetetraacetate,"dicalcium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[Ca+2].[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Ca+2].[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.2Ca/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+2/p-4",C10H12CaN2O8.Ca,,,,,,ACYGYJFTZSAZKR-UHFFFAOYSA-J,,,,,,,,,,,
100.039.302,243-248-7,19719-28-9,"2,4-dichlorophenylacetic acid","(2,4-dichlorophenyl)acetic acid",OC(=O)Cc1ccc(Cl)cc1Cl,OC(=O)Cc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)",C8H6Cl2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11714,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.302,GXMWLJKTGBZMBH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.307,243-253-4,19726-75-1,Titanium(3+) ethanolate,titanium(3+) triethanolate,[Ti+3].CC[O-].CC[O-].CC[O-],[Ti+3].CC[O-].CC[O-].CC[O-],"InChI=1/3C2H5O.Ti/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3",C2H6O.1/3Ti,,,,,,NNRZFZBJEDXBPK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.310,243-257-6,19727-83-4,6-nitroindoline,6-nitroindoline,[O-][N+](=O)c1ccc2CCNc2c1,[O-][N+](=O)c1ccc2CCNc2c1,"InChI=1/C8H8N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2",C8H8N2O2,,,,,,LTNYDSMDSLOMSM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.311,243-258-1,19728-63-3,N-[(benzyloxy)carbonyl]-L-threonine,N-[(benzyloxy)carbonyl]-L-threonine,CC(O)[C@H](NC(=O)OCc1ccccc1)C(=O)O,CC(O)[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)",C12H15NO5,,,,,,IPJUIRDNBFZGQN-HTLJXXAVSA-N,,,,,,,,,,,
100.039.312,243-259-7,19728-71-3,"Methyl 3-methoxy-O,ß-dimethyl-L-tyrosinate","methyl 3-methoxy-O,beta-dimethyl-L-tyrosinate",COC(=O)[C@@H](N)C(C)c1ccc(OC)c(OC)c1,COC(=O)[C@@H](N)C(C)c1ccc(OC)c(OC)c1,"InChI=1/C13H19NO4/c1-8(12(14)13(15)18-4)9-5-6-10(16-2)11(7-9)17-3/h5-8,12H,14H2,1-4H3",C13H19NO4,,,,,,GVFHYRBEKBBJQE-MYIOLCAUSA-N,,,,,,,,,,,
100.039.314,243-261-8,19735-89-8,"1,2-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CC1=CC(=O)N(N1)c2ccccc2,CC1=CC(=O)N(N1)c2ccccc2,"InChI=1/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3",C10H10N2O,,,,,,KZQYIMCESJLPQH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.315,243-262-3,19737-19-0,"3-(ethylamino)propane-1,2-diol","3-(ethylamino)propane-1,2-diol",CCNCC(O)CO,CCNCC(O)CO,"InChI=1/C5H13NO2/c1-2-6-3-5(8)4-7/h5-8H,2-4H2,1H3",C5H13NO2,,,,,,DHWUBIRULANTFI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.319,243-267-0,19746-37-3,S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteine,S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteine,CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O,CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C11H20N2O5S/c1-7(14)12-6-19-5-8(9(15)16)13-10(17)18-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,14)(H,13,17)(H,15,16)",C11H20N2O5S,,,,,,HLCTYBOTPCIHTG-QMMMGPOBSA-N,,,,,,,,,,,
100.039.323,243-271-2,19757-97-2,Methyl hydroxymethoxyacetate,methyl hydroxy(methoxy)acetate,COC(O)C(=O)OC,COC(O)C(=O)OC,"InChI=1/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3",C4H8O4,,,,,,OVJJVYHDJVQFSF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.115,221-026-0,2977-71-1,2-aminop-cresol hydrochloride,2-amino-4-methylphenol hydrochloride,Cl.Cc1ccc(O)c(N)c1,Cl.Cc1ccc(O)c(N)c1,"InChI=1/C7H9NO.ClH/c1-5-2-3-7(9)6(8)4-5;/h2-4,9H,8H2,1H3;1H",C7H9NO.ClH,,,,,,MZMUKGFYWNOPAU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.116,221-027-6,2/11/2978,"1,3-diisopropyl-2-(p-nitrobenzyl)isourea","4-nitrobenzyl N,N'-diisopropylimidocarbamate",CC(C)N\\C(=N\\C(C)C)\\OCc1ccc(cc1)[N+](=O)[O-],CC(C)N\C(=N\C(C)C)\OCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C14H21N3O3/c1-10(2)15-14(16-11(3)4)20-9-12-5-7-13(8-6-12)17(18)19/h5-8,10-11H,9H2,1-4H3,(H,15,16)",C14H21N3O3,,,,,,FYDMCLCYYCIDMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.118,221-029-7,2978-58-7,"1,1-dimethylprop-3-ynylamine",2-methylbut-3-yn-2-amine,CC(C)(N)C#C,CC(C)(N)C#C,"InChI=1/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3",C5H9N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12364,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.118,VUGCBIWQHSRQBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.119,221-030-2,2979-22-8,ß-methoxyphenethyl alcohol,2-methoxy-2-phenylethanol,COC(CO)c1ccccc1,COC(CO)c1ccccc1,"InChI=1/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3",C9H12O2,,,,,,JDTUPLBMGDDPJS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.120,221-031-8,2979-24-0,2-methoxycyclohexan-1-ol,2-methoxycyclohexanol,COC1CCCCC1O,COC1CCCCC1O,"InChI=1/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3",C7H14O2,,,,,,DCQQZLGQRIVCNH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.123,221-034-4,2979-31-9,2-tert-butyloxycyclohexan-1-ol,2-tert-butoxycyclohexanol,CC(C)(C)OC1CCCCC1O,CC(C)(C)OC1CCCCC1O,"InChI=1/C10H20O2/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9,11H,4-7H2,1-3H3",C10H20O2,,,,,,ZJLNOFGIRHSFLR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.113,227-624-8,5910-75-8,N-tridecyltridecan-1-amine,N-tridecyltridecan-1-amine,CCCCCCCCCCCCCNCCCCCCCCCCCCC,CCCCCCCCCCCCCNCCCCCCCCCCCCC,"InChI=1/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3",C26H55N,,,,,,PZFYOFFTIYJCEW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.719,227-191-5,5703-26-4,4-methoxyphenylacetaldehyde,(4-methoxyphenyl)acetaldehyde,COc1ccc(CC=O)cc1,COc1ccc(CC=O)cc1,"InChI=1/C9H10O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,7H,6H2,1H3",C9H10O2,,,,,,NRIVMXXOUOBRAG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.721,227-193-6,1/04/5704,N-(tri(hydroxymethyl)methyl)glycine,"N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine",OCC(CO)(CO)NCC(=O)O,OCC(CO)(CO)NCC(=O)O,"InChI=1/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)",C6H13NO5,,,,,,SEQKRHFRPICQDD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.731,227-203-9,9/08/5714,Detrothyronine,"O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-D-tyrosine",OC(=O)[C@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2,OC(=O)[C@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2,"InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)",C15H12I3NO4,,,,,,AUYYCJSJGJYCDS-GFCCVEGCSA-N,,,,,,,,,,,
100.024.734,227-207-0,5714-76-1,Quinetalate,6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid,CCN(CC)C(=O)C1CC=CCC1C(=O)O,CCN(CC)C(=O)C1CC=CCC1C(=O)O,"InChI=1/C12H19NO3/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,16)",C14H19N3O.2C12H19NO3,,,,,,FVZDUKGVISGJCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.737,227-210-7,6/02/5715,2-cyanophenyl acetate,2-cyanophenyl acetate,CC(=O)Oc1ccccc1C#N,CC(=O)Oc1ccccc1C#N,"InChI=1/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3",C9H7NO2,,,,,,XXLKCUTUGWSJJO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.742,227-215-4,5717-37-3,Ethyl 2-(triphenylphosphoranylidene)propionate,ethyl 2-(triphenylphosphoranylidene)propanoate,CCOC(=O)C(=P(c1ccccc1)(c2ccccc2)c3ccccc3)C,CCOC(=O)C(=P(c1ccccc1)(c2ccccc2)c3ccccc3)C,"InChI=1/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3",C23H23O2P,,,,,,KZENFXVDPUMQOE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.745,227-219-6,5718-75-2,"Exo-(-)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane","4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane",CC1CCC2CC1SC2(C)C,CC1CCC2CC1SC2(C)C,"InChI=1/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3",C10H18S,,,,,,FAXNZPOZWCWYBD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.348,231-183-7,7441-36-3,"N,N-bis(hydroxymethyl)stearamide","N,N-bis(hydroxymethyl)octadecanamide",CCCCCCCCCCCCCCCCCC(=O)N(CO)CO,CCCCCCCCCCCCCCCCCC(=O)N(CO)CO,"InChI=1/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)21(18-22)19-23/h22-23H,2-19H2,1H3",C20H41NO3,,,,,,OXLIPMZQMBZSLR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.351,231-186-3,7443-52-9,trans-2-methylcyclohexanol,2-methylcyclohexanol,C[C@H]1CCCC[C@@H]1O,C[C@H]1CCCC[C@@H]1O,"InChI=1/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3",C7H14O,,,,,,NDVWOBYBJYUSMF-BQBZGAKWSA-N,,,,,,,,,,,
100.028.356,231-192-6,7445-38-7,"Dibenzylamine, compound with boron trifluoride (1:1)",boron trifluoride - N-benzyl-1-phenylmethanamine (1:1),[F-].[F-].[F-].C(NCc1ccccc1)c2ccccc2.[BH6+3],[F-].[F-].[F-].C(NCc1ccccc1)c2ccccc2.[BH6+3],"InChI=1/C14H15N.BH3.3FH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;;;/h1-10,15H,11-12H2;1H3;3*1H/q;+3;;;/p-3",C14H15BF3N,,,,,,HIBIEGJGWKCJPF-UHFFFAOYSA-K,,,,,,,,,,,
100.028.360,231-196-8,8/10/7446,Lead sulphite,lead(4+) disulfite,[Pb+2].[O-]S([O-])=O,[Pb+2].[O-]S([O-])=O,"InChI=1/H2O3S.Pb.2H/c1-4(2)3;;;/h(H2,1,2,3);;;/q;+4;;/p-2/rH2O3S.H2Pb/c1-4(2)3;/h(H2,1,2,3);1H2/q;+4/p-2",H2O3S.Pb,,,,,,OVJOMRKANUZJBM-UHFFFAOYSA-L,,,,,,,,,,,
100.028.363,231-199-4,7446-15-3,Lead selenate,lead(4+) diselenate,[Pb+2].[O-][Se](=O)(=O)[O-],[Pb+2].[O-][Se](=O)(=O)[O-],"InChI=1/H2O4Se.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/p-2/rH2O4Se.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4/p-2",H2O4Se.Pb,,,,,,PKMXSWXQNCMWNG-UHFFFAOYSA-L,,,,,,,,,,,
100.028.365,231-201-3,7446-18-6,Dithallium sulphate,dithallium(1+) sulfate,[Tl+].[Tl+].[O-]S(=O)(=O)[O-],[Tl+].[Tl+].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2",H2O4S.2Tl,,,,,,YTQVHRVITVLIRD-UHFFFAOYSA-L,,,,,,,,,,,
100.028.366,231-202-9,7446-21-1,Strontium selenate,strontium selenate,[Sr+2].[O-][Se](=O)(=O)[O-],[Sr+2].[O-][Se](=O)(=O)[O-],"InChI=1/H2O4Se.Sr/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",H2O4Se.Sr,,,,,,NYEDDRFBCSRENB-UHFFFAOYSA-L,,,,,,,,,,,
100.028.370,231-207-6,7446-32-4,Diantimony tris(sulphate),diantimony tris(sulphate),[SbH3+3].[SbH3+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[SbH3+3].[SbH3+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Sb.6H/c3*1-5(2,3)4;;;;;;;;/h3*(H2,1,2,3,4);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3H2O4S.2H3Sb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);2*1H3/q;;;2*+3/p-6",H2O4S.2/3Sb,,,,,,ALLBLADKSKOCFL-UHFFFAOYSA-H,,,,,,,,,,,
100.019.805,221-785-8,3234-81-9,Octadecyl myristate,octadecyl myristate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,"InChI=1/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2/h3-31H2,1-2H3",C32H64O2,,,,,,IEDOGKKOPNRRKW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.808,221-788-4,9/04/3235,p-anisaldehyde oxime,4-methoxybenzaldehyde oxime,COc1ccc(\\C=N\\O)cc1,COc1ccc(\C=N\O)cc1,"InChI=1/C8H9NO2/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3",C8H9NO2,,,,,,FXOSHPAYNZBSFO-RMKNXTFCSA-N,,,,,,,,,,,
100.019.817,221-798-9,3238-27-5,Dichlorooctylaluminium,dichloro(octyl)aluminum,CCCCCCCC[Al](Cl)Cl,CCCCCCCC[Al](Cl)Cl,"InChI=1/C8H17.Al.2ClH/c1-3-5-7-8-6-4-2;;;/h1,3-8H2,2H3;;2*1H/q;+2;;/p-2/rC8H17AlCl2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3",C8H17AlCl2,,,,,,RBLGTYCOUOIUNY-UHFFFAOYSA-L,,,,,,,,,,,
100.019.820,221-801-3,3238-60-6,(±)-2-propylpiperidine,2-propylpiperidine,CCCC1CCCCN1,CCCC1CCCCN1,"InChI=1/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3",C8H17N,,,,,,NDNUANOUGZGEPO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.620,217-181-9,1764-85-8,Epitizide,"6-chloro-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)NS2(=O)=O)cc1Cl,NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)NS2(=O)=O)cc1Cl,"InChI=1/C10H11ClF3N3O4S3/c11-5-1-6-8(2-7(5)23(15,18)19)24(20,21)17-9(16-6)3-22-4-10(12,13)14/h1-2,9,16-17H,3-4H2,(H2,15,18,19)",C10H11ClF3N3O4S3,,,,,,RINBGYCKMGDWPY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.622,217-184-5,1765-48-6,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acid","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)",C11H2F20O2,,,,,,MMYNPHSPRPZSSN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.755,217-330-8,1817-74-9,Bis(4-nitrophenyl)methane,"1,1'-methylenebis(4-nitrobenzene)",[O-][N+](=O)c1ccc(Cc2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Cc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C13H10N2O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2",C13H10N2O4,,,,,,GLBZQZXDUTUCGK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.757,217-332-9,1818-08-2,p-(1-methylheptyl)phenol,4-(1-methylheptyl)phenol,CCCCCCC(C)c1ccc(O)cc1,CCCCCCC(C)c1ccc(O)cc1,"InChI=1/C14H22O/c1-3-4-5-6-7-12(2)13-8-10-14(15)11-9-13/h8-12,15H,3-7H2,1-2H3",C14H22O,,,,,,DJQPEGRPSMOYLI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.760,217-336-0,1820-50-4,"3-(3-cyclohexen-1-yl)-2,4-dioxaspiro[5.5]undec-8-ene","3-cyclohex-3-en-1-yl-2,4-dioxaspiro[5.5]undec-8-ene",C1CC(CC=C1)C2OCC3(CCC=CC3)CO2,C1CC(CC=C1)C2OCC3(CCC=CC3)CO2,"InChI=1/C15H22O2/c1-3-7-13(8-4-1)14-16-11-15(12-17-14)9-5-2-6-10-15/h1-3,5,13-14H,4,6-12H2",C15H22O2,,,,,,GGKXOBDOBZUKPG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.770,217-347-0,1821-52-9,3-(indol-3-yl)lactic acid,2-hydroxy-3-(1H-indol-3-yl)propanoic acid,OC(Cc1c[nH]c2ccccc12)C(=O)O,OC(Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)",C11H11NO3,,,,,,XGILAAMKEQUXLS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.776,217-353-3,1823-18-3,3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropyl methacrylate,3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropyl methacrylate,CC(=C)C(=O)OCC(O)COc1ccc(C(=O)c2ccccc2)c(O)c1,CC(=C)C(=O)OCC(O)COc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C20H20O6/c1-13(2)20(24)26-12-15(21)11-25-16-8-9-17(18(22)10-16)19(23)14-6-4-3-5-7-14/h3-10,15,21-22H,1,11-12H2,2H3",C20H20O6,,,,,,FCRMARSNWJWNPW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.782,217-360-1,1824-81-3,6-methyl-2-pyridylamine,6-methylpyridin-2-amine,Cc1cccc(N)n1,Cc1cccc(N)n1,"InChI=1/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)",C6H8N2,,,,,,QUXLCYFNVNNRBE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.783,217-361-7,1824-94-8,Methyl ß-D-galactopyranoside,methyl beta-D-galactopyranoside,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",C7H14O6,,,,,,HOVAGTYPODGVJG-VOQCIKJUSA-N,,,,,,,,,,,
100.015.788,217-366-4,1825-58-7,Ethoxydimethylphenylsilane,ethoxy(dimethyl)phenylsilane,CCO[Si](C)(C)c1ccccc1,CCO[Si](C)(C)c1ccccc1,"InChI=1/C10H16OSi/c1-4-11-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",C10H16OSi,,,,,,FIHCECZPYHVEJO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.789,217-368-5,1825-59-8,Ethoxymethyldiphenylsilane,(ethoxymethyl)(diphenyl)silane,CCOC[SiH](c1ccccc1)c2ccccc2,CCOC[SiH](c1ccccc1)c2ccccc2,"InChI=1/C15H18OSi/c1-2-16-13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3",C15H18OSi,,,,,,BLZRFFOGMIQCFD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.414,221-354-4,3076-26-4,1-methyl 2-sulphooctadecanoate,1-methoxy-1-oxooctadecane-2-sulfonic acid,CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C19H38O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(20)24-2)25(21,22)23/h18H,3-17H2,1-2H3,(H,21,22,23)",C19H38O5S,,,,,,NRCIPQBRBAFTIA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.393,229-032-5,6406-61-7,Sodium 2-chloro-5-[[5-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-o-tolyl]azo]benzenesulphonate,sodium 2-chloro-5-({5-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]-2-methylphenyl}diazenyl)benzenesulfonate,[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc4cc(O)c(N=Nc2c3ccccc3ccc2O)cc4C,[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc4cc(O)c(N=Nc2c3ccccc3ccc2O)cc4C,"InChI=1/C23H17ClN4O5S.Na/c1-13-10-19(27-28-23-16-5-3-2-4-14(16)6-9-20(23)29)21(30)12-18(13)26-25-15-7-8-17(24)22(11-15)34(31,32)33;/h2-12,29-30H,1H3,(H,31,32,33);/q;+1/p-1",C23H17ClN4O5S.Na,,,,,,FVHLRYJLFWZJDH-UHFFFAOYSA-M,,,,,,,,,,,
100.026.395,229-034-6,6406-75-3,"Disodium 5-(p-acetamidoanilino)-8-amino-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonate","disodium 5-[(4-acetamidophenyl)amino]-8-amino-9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonate",[Na+].[Na+].CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4c(cccc4S(=O)(=O)[O-])C(=O)c23)S(=O)(=O)[O-])cc1,[Na+].[Na+].CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4c(cccc4S(=O)(=O)[O-])C(=O)c23)S(=O)(=O)[O-])cc1,"InChI=1/C22H17N3O9S2.2Na/c1-10(26)24-11-5-7-12(8-6-11)25-14-9-16(36(32,33)34)20(23)19-18(14)21(27)13-3-2-4-15(35(29,30)31)17(13)22(19)28;;/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H17N3O9S2.2Na,,,,,,OTJXMJHWJNQOMR-UHFFFAOYSA-L,,,,,,,,,,,
100.026.400,229-039-3,6407-74-5,"4-[(2-chlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2-chlorophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",Clc3ccccc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,Clc3ccccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C16H13ClN4O/c1-11-15(19-18-14-10-6-5-9-13(14)17)16(22)21(20-11)12-7-3-2-4-8-12/h2-10,15H,1H3",C16H13ClN4O,,,,,,YYKCUFRKHHBXON-UHFFFAOYSA-N,,,,,,,,,,,
100.026.401,229-040-9,6407-75-6,"4-[(2,5-dichlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2,5-dichlorophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",Clc3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(Cl)cc3,Clc3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(Cl)cc3,"InChI=1/C16H12Cl2N4O/c1-10-15(20-19-14-9-11(17)7-8-13(14)18)16(23)22(21-10)12-5-3-2-4-6-12/h2-9,15H,1H3",C16H12Cl2N4O,,,,,,SYIDJAUAPDQFRN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.406,229-046-1,6407-85-8,Sodium 6-(1-naphthylazo)naphthalene-2-sulphonate,sodium 6-(1-naphthyldiazenyl)naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4cccc3ccccc34,[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4cccc3ccccc34,"InChI=1/C20H14N2O3S.Na/c23-26(24,25)18-11-9-15-12-17(10-8-16(15)13-18)21-22-20-7-3-5-14-4-1-2-6-19(14)20;/h1-13H,(H,23,24,25);/q;+1/p-1",C20H14N2O3S.Na,,,,,,TUJPIQXJCDUAEN-UHFFFAOYSA-M,,,,,,,,,,,
100.026.420,229-061-3,6408-57-7,"Disodium 2,2'-(9,10-dioxoanthracene-1,4-diyldiimino)bis(5-butylbenzenesulphonate","disodium 2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]bis(5-butylbenzenesulfonate)",CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3S(=O)(=O)O[Na])c4C(=O)c5ccccc5C(=O)c24)c(c1)S(=O)(=O)O[Na],CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3S(=O)(=O)O[Na])c4C(=O)c5ccccc5C(=O)c24)c(c1)S(=O)(=O)O[Na],"InChI=1/C34H34N2O8S2.2Na/c1-3-5-9-21-13-15-25(29(19-21)45(39,40)41)35-27-17-18-28(32-31(27)33(37)23-11-7-8-12-24(23)34(32)38)36-26-16-14-22(10-6-4-2)20-30(26)46(42,43)44;;/h7-8,11-20,35-36H,3-6,9-10H2,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/rC34H32N2Na2O8S2/c1-3-5-9-21-13-15-25(29(19-21)47(41,42)45-37)35-27-17-18-28(32-31(27)33(39)23-11-7-8-12-24(23)34(32)40)36-26-16-14-22(10-6-4-2)20-30(26)48(43,44)46-38/h7-8,11-20,35-36H,3-6,9-10H2,1-2H3",C34H34N2O8S2.2Na,,,,,,BOXAUJCFZBSNKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.026.425,229-067-6,6408-73-7,"Disodium 4,4'-[(1,4-diamino-9,10-dihydro-9,10-dioxo-2,3-anthrylene)bis(oxy)]bis[benzenesulphonate]","disodium 4,4'-[(1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2,3-diyl)bis(oxy)]dibenzenesulfonate",Nc1c(Oc2ccc(cc2)S(=O)(=O)O[Na])c(Oc3ccc(cc3)S(=O)(=O)O[Na])c(N)c4C(=O)c5ccccc5C(=O)c14,Nc1c(Oc2ccc(cc2)S(=O)(=O)O[Na])c(Oc3ccc(cc3)S(=O)(=O)O[Na])c(N)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C26H18N2O10S2.2Na/c27-21-19-20(24(30)18-4-2-1-3-17(18)23(19)29)22(28)26(38-14-7-11-16(12-8-14)40(34,35)36)25(21)37-13-5-9-15(10-6-13)39(31,32)33;;/h1-12H,27-28H2,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/rC26H16N2Na2O10S2/c27-21-19-20(24(32)18-4-2-1-3-17(18)23(19)31)22(28)26(38-14-7-11-16(12-8-14)42(35,36)40-30)25(21)37-13-5-9-15(10-6-13)41(33,34)39-29/h1-12H,27-28H2",C26H18N2O10S2.2Na,,,,,,JJSCWNMFFCKNEU-UHFFFAOYSA-L,,,,,,,,,,,
100.029.275,232-202-1,7790-37-6,Zinc iodate,zinc diiodate,[Zn+2].[O-]I(=O)=O.[O-]I(=O)=O,[Zn+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/2HIO3.Zn/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",HIO3.1/2Zn,,,,,,MFMKGXZULQONRI-UHFFFAOYSA-L,,,,,,,,,,,
100.029.276,232-203-7,7790-38-7,Palladium diiodide,palladium(2+) diiodide,[Pd+2].[I-].[I-],[Pd+2].[I-].[I-],InChI=1/2HI.Pd/h2*1H;/q;;+2/p-2,I2Pd,,,,,,HNNUTDROYPGBMR-UHFFFAOYSA-L,,,,,,,,,,,
100.029.277,232-204-2,7790-39-8,Platinum diiodide,platinum(2+) diiodide,[I-].[I-].[Pt+2],[I-].[I-].[Pt+2],InChI=1/2HI.Pt/h2*1H;/q;;+2/p-2,I2Pt,,,,,,ZXDJCKVQKCNWEI-UHFFFAOYSA-L,,,,,,,,,,,
100.029.278,232-205-8,7790-44-5,Antimony triiodide,antimony(3+) triiodide,[SbH3+3].[I-].[I-].[I-],[SbH3+3].[I-].[I-].[I-],InChI=1/3HI.Sb.3H/h3*1H;;;;/q;;;+3;;;/p-3/r3HI.H3Sb/h3*1H;1H3/q;;;+3/p-3,I3Sb,,,,,,JYIUOADDPFDEAV-UHFFFAOYSA-K,,,,,,,,,,,
100.029.279,232-206-3,7790-45-6,Iridium tetraiodide,-,[I-].[I-].[I-].[I-].[Ir+3],[I-].[I-].[I-].[I-].[Ir+3],InChI=1/4HI.Ir/h4*1H;/q;;;;+3/p-4,I4Ir,,,,,,CLFCIDDZXYIOTQ-UHFFFAOYSA-J,,,,,,,,,,,
100.029.282,232-210-5,7790-48-9,Tellurium tetraiodide,tellurium tetraiodide,[TeH2+2].[TeH2+2].[I-].[I-].[I-].[I-],[TeH2+2].[TeH2+2].[I-].[I-].[I-].[I-],InChI=1/4HI.2H2Te/h4*1H;2*1H2/q;;;;2*+2/p-4,I4Te,,,,,,NRZVNAARIQILGS-UHFFFAOYSA-J,,,,,,,,,,,
100.020.627,222-689-9,3572-80-3,Cyclazocine,"3-(cyclopropylmethyl)-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4,CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4,"InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3",C18H25NO,,,,,,YQYVFVRQLZMJKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.632,222-695-1,3576-88-3,"2,2'-iminobis[4,6-diamino-1,3,5-triazine]","N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine",Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1,Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1,"InChI=1/C6H9N11/c7-1-11-2(8)14-5(13-1)17-6-15-3(9)12-4(10)16-6/h(H9,7,8,9,10,11,12,13,14,15,16,17)",C6H9N11,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5547,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.632,YZEZMSPGIPTEBA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.633,222-696-7,3/01/3577,Cefaloglycin,3-(acetoxymethyl)-7-{[amino(phenyl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(=O)O,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(=O)O,"InChI=1/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)",C18H19N3O6S,,,,,,FUBBGQLTSCSAON-PBFPGSCMSA-N,,,,,,,,,,,
100.020.636,222-699-3,2/07/3578,Decyl 2-cyanoacrylate,decyl 2-cyanoacrylate,CCCCCCCCCCOC(=O)C(=C)C#N,CCCCCCCCCCOC(=O)C(=C)C#N,"InChI=1/C14H23NO2/c1-3-4-5-6-7-8-9-10-11-17-14(16)13(2)12-15/h2-11H2,1H3",C14H23NO2,,,,,,KWKVJEUILVQMRR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.637,222-700-7,3578-72-1,Calcium didocosanoate,calcium didocosanoate,[Ca+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C22H44O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2",C22H44O2.1/2Ca,,,,,,SMBKCSPGKDEPFO-UHFFFAOYSA-L,,,,,,,,,,,
100.020.647,222-711-7,3584-23-4,"2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine","2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine",COc1ccc(cc1)c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,COc1ccc(cc1)c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1/C12H7Cl6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3",C12H7Cl6N3O,,,,,,QRHHZFRCJDAUNA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.652,222-716-4,3586-14-9,Phenyl m-tolyl ether,1-methyl-3-phenoxybenzene,Cc1cccc(Oc2ccccc2)c1,Cc1cccc(Oc2ccccc2)c1,"InChI=1/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3",C13H12O,,,,,,UDONPJKEOAWFGI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.654,222-719-0,3586-39-8,"2,2,4-trimethyladipic acid","2,2,4-trimethylhexanedioic acid",CC(CC(=O)O)CC(C)(C)C(=O)O,CC(CC(=O)O)CC(C)(C)C(=O)O,"InChI=1/C9H16O4/c1-6(4-7(10)11)5-9(2,3)8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)",C9H16O4,,,,,,DWFUTNJGNBYHNN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.657,222-722-7,3587-69-7,1-butoxy-2-methylpropan-2-ol,1-butoxy-2-methylpropan-2-ol,CCCCOCC(C)(C)O,CCCCOCC(C)(C)O,"InChI=1/C8H18O2/c1-4-5-6-10-7-8(2,3)9/h9H,4-7H2,1-3H3",C8H18O2,,,,,,JCALRHVFTLBTOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.660,222-725-3,3588-18-9,"(Z)-2,6-dimethylocta-5,7-dien-4-one","2,6-dimethylocta-5,7-dien-4-one",CC(C)CC(=O)\\C=C(\\C)/C=C,CC(C)CC(=O)\C=C(\C)/C=C,"InChI=1/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3",C10H16O,,,,,,RJXKHBTYHGBOKV-CLFYSBASSA-N,,,,,,,,,,,
100.020.661,222-726-9,3588-57-6,N-benzyloxycarbonyl-DL-3-phenylalanine,N-[(benzyloxy)carbonyl]phenylalanine,OC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)",C17H17NO4,,,,,,RRONHWAVOYADJL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.659,219-424-4,2435-53-2,Tetrachloro-o-benzoquinone,"3,4,5,6-tetrachloro-1,2-benzoquinone",ClC1=C(Cl)C(=O)C(=O)C(=C1Cl)Cl,ClC1=C(Cl)C(=O)C(=O)C(=C1Cl)Cl,InChI=1/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6Cl4O2,,,,,,VRGCYEIGVVTZCC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.664,219-430-7,2436-73-9,Methyl (4-chloro-2-methylphenoxy)acetate,methyl (4-chloro-2-methylphenoxy)acetate,COC(=O)COc1ccc(Cl)cc1C,COC(=O)COc1ccc(Cl)cc1C,"InChI=1/C10H11ClO3/c1-7-5-8(11)3-4-9(7)14-6-10(12)13-2/h3-5H,6H2,1-2H3",C10H11ClO3,,,,,,VWERIRLJUWTNDA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.668,219-434-9,2436-93-3,"6,8-dimethylquinoline","6,8-dimethylquinoline",Cc1cc(C)c2ncccc2c1,Cc1cc(C)c2ncccc2c1,"InChI=1/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H3",C11H11N,,,,,,RLZSSWLXBLSQKI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.671,219-438-0,2437-16-3,5-hydroxy-1-naphthoic acid,5-hydroxy-1-naphthoic acid,OC(=O)c1cccc2c(O)cccc12,OC(=O)c1cccc2c(O)cccc12,"InChI=1/C11H8O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6,12H,(H,13,14)",C11H8O3,,,,,,NYYMNZLORMNCKK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.372,231-209-7,7446-81-3,Sodium acrylate,sodium acrylate,[Na+].[O-]C(=O)C=C,[Na+].[O-]C(=O)C=C,"InChI=1/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1",C3H4O2.Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14789,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.372,NNMHYFLPFNGQFZ-UHFFFAOYSA-M,,,,,,,,,,,
100.029.257,232-182-4,7789-66-4,Silicon tetrabromide,silicon(4+) tetrabromide,[Si+4].[Br-].[Br-].[Br-].[Br-],[Si+4].[Br-].[Br-].[Br-].[Br-],InChI=1/4BrH.H4Si/h4*1H;1H4/q;;;;+4/p-4,Br4Si,,,,,,RXSLIBAIGASVNS-UHFFFAOYSA-J,,,,,,,,,,,
100.029.258,232-184-5,7789-67-5,Tin tetrabromide,tin(4+) tetrabromide,[Br-].[Br-].[Br-].[Br-].[Sn+4],[Br-].[Br-].[Br-].[Br-].[Sn+4],InChI=1/4BrH.Sn/h4*1H;/q;;;;+4/p-4,Br4Sn,,,,,,LTSUHJWLSNQKIP-UHFFFAOYSA-J,,,,,,,,,,,
100.029.267,232-193-4,7789-92-6,3-ethoxypropionaldehydediethylacetal,"1,1,3-triethoxypropane",CCOCCC(OCC)OCC,CCOCCC(OCC)OCC,"InChI=1/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3",C9H20O3,,,,,,LGICWIVABSMSDK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.268,232-195-5,4/01/7790,"1,1-dicyanoethyl acetate","1,1-dicyanoethyl acetate",CC(=O)OC(C)(C#N)C#N,CC(=O)OC(C)(C#N)C#N,"InChI=1/C6H6N2O2/c1-5(9)10-6(2,3-7)4-8/h1-2H3",C6H6N2O2,,,,,,OSNAAKXQIFQLNS-UHFFFAOYSA-N,,,,,,,,,,,
100.029.270,232-197-6,7790-28-5,Sodium periodate,sodium periodate,[Na+].[O-]I(=O)(=O)=O,[Na+].[O-]I(=O)(=O)=O,"InChI=1/HIO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",HIO4.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5745,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.270,JQWHASGSAFIOCM-UHFFFAOYSA-M,,,,,,,,,,,
100.029.272,232-199-7,7790-30-9,Thallium iodide,thallium(1+) iodide,[I-].[Tl+],[I-].[Tl+],InChI=1/HI.Tl/h1H;/q;+1/p-1,ITl,,,,,,CMJCEVKJYRZMIA-UHFFFAOYSA-M,,,,,,,,,,,
100.029.274,232-201-6,7790-33-2,Manganese diiodide,manganese(2+) diiodide,[Mn+2].[I-].[I-],[Mn+2].[I-].[I-],InChI=1/2HI.Mn/h2*1H;/q;;+2/p-2,I2Mn,,,,,,QWYFOIJABGVEFP-UHFFFAOYSA-L,,,,,,,,,,,
100.026.753,229-427-2,6531-31-3,4-methylimidazolidin-2-one,4-methylimidazolidin-2-one,CC1CNC(=O)N1,CC1CNC(=O)N1,"InChI=1/C4H8N2O/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)",C4H8N2O,,,,,,DWEQVNFWAKJCEY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.754,229-428-8,6531-38-0,"Piperazine-1,4-diethylamine","2,2'-piperazine-1,4-diyldiethanamine",NCCN1CCN(CCN)CC1,NCCN1CCN(CCN)CC1,InChI=1/C8H20N4/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-10H2,C8H20N4,,,,,,PAOXFRSJRCGJLV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.758,229-433-5,6533-00-2,Norgestrel,"13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2(O)C#C,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2(O)C#C,"InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3",C21H28O2,,,,,,WWYNJERNGUHSAO-CULCCENASA-N,,,,,,,,,,,
100.026.771,229-447-1,6536-18-1,Morazone,"1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CC1C(OCCN1CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4,CC1C(OCCN1CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4,"InChI=1/C23H27N3O2/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19/h4-13,18,22H,14-16H2,1-3H3",C23H27N3O2,,,,,,OOGNFQMTGRZRAB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.781,229-458-1,6542-56-9,"4-methyl-2-vinyl-1,3-dioxane","4-methyl-2-vinyl-1,3-dioxane",CC1CCOC(O1)C=C,CC1CCOC(O1)C=C,"InChI=1/C7H12O2/c1-3-7-8-5-4-6(2)9-7/h3,6-7H,1,4-5H2,2H3",C7H12O2,,,,,,VHBVURHYXATORH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.782,229-459-7,6543-83-5,"2,3,4,9-tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-1-carboxylic acid","1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-1-carboxylic acid",CC1(NCCc2c1[nH]c3ccccc23)C(=O)O,CC1(NCCc2c1[nH]c3ccccc23)C(=O)O,"InChI=1/C13H14N2O2/c1-13(12(16)17)11-9(6-7-14-13)8-4-2-3-5-10(8)15-11/h2-5,14-15H,6-7H2,1H3,(H,16,17)",C13H14N2O2,,,,,,CNUNWGNKMNLSTM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.784,229-461-8,6544-33-8,4-ethyltetrahydro-5-oxofuran-3-acetic acid,(4-ethyl-5-oxotetrahydrofuran-3-yl)acetic acid,CCC1C(CC(=O)O)COC1=O,CCC1C(CC(=O)O)COC1=O,"InChI=1/C8H12O4/c1-2-6-5(3-7(9)10)4-12-8(6)11/h5-6H,2-4H2,1H3,(H,9,10)",C8H12O4,,,,,,AQARPLAIJXEEPY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.791,229-469-1,6548-30-7,"Disodium 8-[[3,3'-dimethoxy-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonate","disodium 8-({3,3'-dimethoxy-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].COc3cc(ccc3N=Nc2ccc(OS(=O)(=O)c1ccc(C)cc1)cc2)c6ccc(N=Nc4c5c(cc(cc5ccc4O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].COc3cc(ccc3N=Nc2ccc(OS(=O)(=O)c1ccc(C)cc1)cc2)c6ccc(N=Nc4c5c(cc(cc5ccc4O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C37H30N4O12S3.2Na/c1-22-4-13-28(14-5-22)56(49,50)53-27-11-9-26(10-12-27)38-39-30-15-6-23(19-33(30)51-2)24-7-16-31(34(20-24)52-3)40-41-37-32(42)17-8-25-18-29(54(43,44)45)21-35(36(25)37)55(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C37H30N4O12S3.2Na,,,,,,XLBRYSLVZOQGLJ-UHFFFAOYSA-L,,,,,,,,,,,
100.019.415,221-356-5,3076-63-9,Tridodecyl phosphite,tridodecyl phosphite,CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OCCCCCCCCCCCC,CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OCCCCCCCCCCCC,"InChI=1/C36H75O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",C36H75O3P,,,,,,IVIIAEVMQHEPAY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.424,221-365-4,3077-51-8,5-methyl L-2-aminoglutarate hydrochloride,-,Cl.COC(=O)CCC(N)C(=O)[O-],Cl.COC(=O)CCC(N)C(=O)[O-],"InChI=1/C6H11NO4.ClH/c1-11-5(8)3-2-4(7)6(9)10;/h4H,2-3,7H2,1H3,(H,9,10);1H/p-1",C6H11NO4.ClH,,,,,,NTWTYOQNGBVBFH-UHFFFAOYSA-M,,,,,,,,,,,
100.019.428,221-370-1,3079-63-8,Benzylcarbonylglycyloxy-L-alanine,N-{2-[(phenylacetyl)amino]acetoxy}-L-alanine,C[C@H](NOC(=O)CNC(=O)Cc1ccccc1)C(=O)O,C[C@H](NOC(=O)CNC(=O)Cc1ccccc1)C(=O)O,"InChI=1/C13H16N2O5/c1-9(13(18)19)15-20-12(17)8-14-11(16)7-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,14,16)(H,18,19)",C13H16N2O5,,,,,,PHOHVZFZYPEPLL-VIFPVBQESA-N,,,,,,,,,,,
100.019.431,221-373-8,3080-97-5,"N,N'-dicinnamylideneethylenediamine","N,N'-bis(3-phenylprop-2-en-1-ylidene)ethane-1,2-diamine",C(C=Cc1ccccc1)=NCCN=CC=Cc2ccccc2,C(C=Cc1ccccc1)=NCCN=CC=Cc2ccccc2,"InChI=1/C20H20N2/c1-3-9-19(10-4-1)13-7-15-21-17-18-22-16-8-14-20-11-5-2-6-12-20/h1-16H,17-18H2",C20H20N2,,,,,,LDGZMDNYSFJCDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.438,221-381-1,3082-77-7,Ethyl L-methionate,ethyl L-methioninate,CCOC(=O)[C@@H](N)CCSC,CCOC(=O)[C@@H](N)CCSC,"InChI=1/C7H15NO2S/c1-3-10-7(9)6(8)4-5-11-2/h6H,3-5,8H2,1-2H3",C7H15NO2S,,,,,,ARJXIGOIOGJAKR-LURJTMIESA-N,,,,,,,,,,,
100.019.443,221-386-9,3083-77-0,"1-ß-D-arabinofuranosyl-(1H,3H)-pyrimidine-2,4-dione","1-pentofuranosylpyrimidine-2,4(1H,3H)-dione",OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O,OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O,"InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)",C9H12N2O6,,,,,,DRTQHJPVMGBUCF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.448,221-392-1,3084-48-8,Trihexylphosphine oxide,trihexylphosphine oxide,CCCCCCP(=O)(CCCCCC)CCCCCC,CCCCCCP(=O)(CCCCCC)CCCCCC,"InChI=1/C18H39OP/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",C18H39OP,,,,,,PPDZLUVUQQGIOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.449,221-393-7,3084-50-2,Tributylphosphine sulphide,tributylphosphine sulfide,CCCCP(=S)(CCCC)CCCC,CCCCP(=S)(CCCC)CCCC,"InChI=1/C12H27PS/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27PS,,,,,,FQVPFGDPYSIWTM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.451,221-395-8,3085-35-6,Butoxymethanol,butoxymethanol,CCCCOCO,CCCCOCO,"InChI=1/C5H12O2/c1-2-3-4-7-5-6/h6H,2-5H2,1H3",C5H12O2,,,,,,CRHLZRRTZDFDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.454,221-398-4,3085-53-8,3'-methylformanilide,N-(3-methylphenyl)formamide,Cc1cccc(NC=O)c1,Cc1cccc(NC=O)c1,"InChI=1/C8H9NO/c1-7-3-2-4-8(5-7)9-6-10/h2-6H,1H3,(H,9,10)",C8H9NO,,,,,,JPXIYUADQNFRCK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.399,218-037-8,2040-10-0,"4'-tert-butyl-2',6'-dimethylacetophenone","1-(4-tert-butyl-2,6-dimethylphenyl)ethanone",CC(=O)c1c(C)cc(cc1C)C(C)(C)C,CC(=O)c1c(C)cc(cc1C)C(C)(C)C,"InChI=1/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3",C14H20O,,,,,,JNHLHPMTMTYLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.401,218-039-9,2040-64-4,Dodecyl myristate,dodecyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,"InChI=1/C26H52O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26(27)28-25-23-21-19-17-14-12-10-8-6-4-2/h3-25H2,1-2H3",C26H52O2,,,,,,DFQOCHPHORLRID-UHFFFAOYSA-N,,,,,,,,,,,
100.016.406,218-045-1,2042-37-7,2-bromobenzonitrile,2-bromobenzonitrile,Brc1ccccc1C#N,Brc1ccccc1C#N,InChI=1/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H,C7H4BrN,,,,,,AFMPMSCZPVNPEM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.414,218-054-0,2043-54-1,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2",C12H4F21I,,,,,,HVWXRMINOYZYCK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.416,218-056-1,2043-57-4,"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane","1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2",C8H4F13I,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5953,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.416,NVVZEKTVIXIUKW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.419,218-059-8,2044-64-6,"N,N-dimethyl-3-oxobutyramide","N,N-dimethyl-3-oxobutanamide",CN(C)C(=O)CC(=O)C,CN(C)C(=O)CC(=O)C,"InChI=1/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3",C6H11NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12755,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.419,YPEWWOUWRRQBAX-UHFFFAOYSA-N,,,,,,,,,,,
100.029.283,232-211-0,7790-49-0,Thorium tetraiodide,thorium tetraiodide,[I-].[I-].[I-].[I-].[Th+2].[Th+2],[I-].[I-].[I-].[I-].[Th+2].[Th+2],InChI=1/4HI.2Th/h4*1H;;/q;;;;2*+2/p-4,I4Th,,,,,,VXLKFSIIFYWURC-UHFFFAOYSA-J,,,,,,,,,,,
100.029.293,232-222-0,7790-79-6,Cadmium fluoride,cadmium difluoride,[F-].[F-].[Cd+2],[F-].[F-].[Cd+2],InChI=1/Cd.2FH/h;2*1H/q+2;;/p-2,CdF2,,,,,,LVEULQCPJDDSLD-UHFFFAOYSA-L,,,,,,,,,,,
100.029.307,232-237-2,9/03/7791,Lithium perchlorate,lithium perchlorate,[Li+].[O-]Cl(=O)(=O)=O,[Li+].[O-]Cl(=O)(=O)=O,"InChI=1/ClHO4.Li/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",ClHO4.Li,,,,,,MHCFAGZWMAWTNR-UHFFFAOYSA-M,,,,,,,,,,,
100.029.309,232-239-3,8/10/7791,Strontium chlorate,strontium dichlorate,[Sr+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Sr+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/2ClHO3.Sr/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",ClHO3.1/2Sr,,,,,,FRTABACCYANHFP-UHFFFAOYSA-L,,,,,,,,,,,
100.029.313,232-244-0,7791-23-3,Seleninyl dichloride,selenous dichloride,Cl[Se](=O)Cl,Cl[Se](=O)Cl,InChI=1/Cl2OSe/c1-4(2)3,Cl2OSe,,,,,,LIRMPIXWGWLNND-UHFFFAOYSA-N,,,,,,,,,,,
100.029.317,232-248-2,7795-87-1,Didecyl hydrogen phosphate,didecyl hydrogen phosphate,CCCCCCCCCCOP(=O)(O)OCCCCCCCCCC,CCCCCCCCCCOP(=O)(O)OCCCCCCCCCC,"InChI=1/C20H43O4P/c1-3-5-7-9-11-13-15-17-19-23-25(21,22)24-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,21,22)",C20H43O4P,,,,,,QHAUASBJFFBWMY-UHFFFAOYSA-N,,,,,,,,,,,
100.029.318,232-249-8,7795-95-1,1-octanesulphonyl chloride,octane-1-sulfonyl chloride,CCCCCCCCS(=O)(=O)Cl,CCCCCCCCS(=O)(=O)Cl,"InChI=1/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3",C8H17ClO2S,,,,,,WIVNTNLDTMNDNO-UHFFFAOYSA-N,,,,,,,,,,,
100.029.324,232-256-6,7801-18-5,"11a-hydroxyandrosta-1,4-diene-3,17-dione","11-hydroxyandrosta-1,4-diene-3,17-dione",C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,"InChI=1/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3",C19H24O3,,,,,,ZHOLUHXKCIXGSR-GBHAUCNQSA-N,,,,,,,,,,,
100.029.325,232-257-1,7801-70-9,N-[N-[(benzyloxy)carbonyl]-L-leucyl]-L-valine,N-[(benzyloxy)carbonyl]-D-leucyl-L-valine,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)O,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)O,"InChI=1/C19H28N2O5/c1-12(2)10-15(17(22)21-16(13(3)4)18(23)24)20-19(25)26-11-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,20,25)(H,21,22)(H,23,24)",C19H28N2O5,,,,,,MUJSLBXYEJRINU-HOTGVXAUSA-N,,,,,,,,,,,
100.029.326,232-258-7,7801-71-0,N-[N-(benzyloxycarbonyl)-L-leucyl]-L-leucine,N-[(benzyloxy)carbonyl]-L-leucyl-L-leucine,CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O,CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C20H30N2O5/c1-13(2)10-16(18(23)21-17(19(24)25)11-14(3)4)22-20(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)",C20H30N2O5,,,,,,XGJGWYRHLPSMLW-IRXDYDNUSA-N,,,,,,,,,,,
100.026.801,229-480-1,6554-00-3,Adenylyl-(5'<U+2192>3')-guanosine,-,NC1=Nc2c(ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)C3O)C(=O)N1,"InChI=1/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)10(32)7(40-18)2-38-42(36,37)41-13-6(1-31)39-19(12(13)34)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)",C20H25N10O11P,,,,,,PBWYGOYNGCCLAU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.802,229-481-7,5/10/6554,5'-O-trityluridine,"1-(5-O-tritylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione",OC1C(COC(c2ccccc2)(c3ccccc3)c4ccccc4)OC(C1O)N5C=CC(=O)NC5=O,OC1C(COC(c2ccccc2)(c3ccccc3)c4ccccc4)OC(C1O)N5C=CC(=O)NC5=O,"InChI=1/C28H26N2O6/c31-23-16-17-30(27(34)29-23)26-25(33)24(32)22(36-26)18-35-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24-26,32-33H,18H2,(H,29,31,34)",C28H26N2O6,,,,,,YQHCGMPQZCIQPS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.804,229-483-8,6554-98-9,p-styrylphenol,4-(2-phenylvinyl)phenol,Oc1ccc(\\C=C\\c2ccccc2)cc1,Oc1ccc(\C=C\c2ccccc2)cc1,"InChI=1/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H",C14H12O,,,,,,QVLMUEOXQBUPAH-VOTSOKGWSA-N,,,,,,,,,,,
100.026.811,229-491-1,6573-13-3,"1,3-dioxonane","1,3-dioxonane",C1CCCOCOCC1,C1CCCOCOCC1,InChI=1/C7H14O2/c1-2-4-6-9-7-8-5-3-1/h1-7H2,C7H14O2,,,,,,BQLZNUMAQHULJO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.812,229-492-7,6574-15-8,1-(4-nitrophenyl)piperidine,1-(4-nitrophenyl)piperidine,[O-][N+](=O)c1ccc(cc1)N2CCCCC2,[O-][N+](=O)c1ccc(cc1)N2CCCCC2,"InChI=1/C11H14N2O2/c14-13(15)11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4-7H,1-3,8-9H2",C11H14N2O2,,,,,,SGPLAXFUDTWHRS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.818,229-499-5,3/09/6575,3-chloro-2-toluonitrile,2-chloro-6-methylbenzonitrile,Cc1cccc(Cl)c1C#N,Cc1cccc(Cl)c1C#N,"InChI=1/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3",C8H6ClN,,,,,,WQWQHJNUHQEGTN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.827,229-509-8,6581-66-4,Tetrahydro-2-methoxy-2H-pyran,2-methoxytetrahydro-2H-pyran,COC1CCCCO1,COC1CCCCO1,"InChI=1/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3",C6H12O2,,,,,,XTDKZSUYCXHXJM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.674,219-441-7,2437-29-8,"Bis[[4-[4-(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium] oxalate, dioxalate",-,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccccc6.OC(=O)C(=O)O.OC(=O)C(=O)[O-].OC(=O)C(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccccc6.OC(=O)C(=O)O.OC(=O)C(=O)[O-].OC(=O)C(=O)[O-],"InChI=1/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2",C23H25N2.1/2C2H2O4.C2HO4,,,,,,CNYGFPPAGUCRIC-UHFFFAOYSA-L,,,,,,,,,,,
100.017.683,219-451-1,2438-72-4,Bufexamac,2-(4-butoxyphenyl)-N-hydroxyacetamide,CCCCOc1ccc(CC(=O)NO)cc1,CCCCOc1ccc(CC(=O)NO)cc1,"InChI=1/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)",C12H17NO3,,,,,,MXJWRABVEGLYDG-UHFFFAOYSA-N,Positive/Negative,EQ332201|EQ332202|EQ332203|EQ332204|EQ332205|EQ332206,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,163.1117:224.1281:107.0491|107.0491:163.1117:224.1281|107.0491:163.1117:122.06|107.0492:122.06:95.0491|107.0492:95.0491:79.0542|107.0491:95.0491:79.0542,Eawag,EQ332251|EQ332252|EQ332253|EQ332254|EQ332255|EQ332256,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,222.1136:93.0346:57.9934|222.1136:57.9934:93.0346|57.9934:118.03:93.0346|118.03:57.9934:92.0268|118.03:57.9934:92.0268|118.03:57.9934:92.0268,Eawag
100.017.694,219-463-7,2439-55-6,N-methyloctadecylamine,N-methyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNC,CCCCCCCCCCCCCCCCCCNC,"InChI=1/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3",C19H41N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16874,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.694,SZEGKVHRCLBFKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.695,219-464-2,2439-57-8,N-(tetrahydrofurfuryl)-N-methylamine,N-methyl-1-(tetrahydrofuran-2-yl)methanamine,CNCC1CCCO1,CNCC1CCCO1,"InChI=1/C6H13NO/c1-7-5-6-3-2-4-8-6/h6-7H,2-5H2,1H3",C6H13NO,,,,,,VJUDVVHGQMPPEI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.698,219-467-9,2439-85-2,N-bromophthalimide,"2-bromo-1H-isoindole-1,3(2H)-dione",BrN1C(=O)c2ccccc2C1=O,BrN1C(=O)c2ccccc2C1=O,InChI=1/C8H4BrNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,C8H4BrNO2,,,,,,MARXMDRWROUXMD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.702,219-472-6,2440-62-2,(S)-4-[[2-[(4-nitrophenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobutyric acid,4-({1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl}amino)-4-oxobutanoic acid,OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C19H19N3O6/c23-17(10-11-18(24)25)21-16(12-13-4-2-1-3-5-13)19(26)20-14-6-8-15(9-7-14)22(27)28/h1-9,16H,10-12H2,(H,20,26)(H,21,23)(H,24,25)",C19H19N3O6,,,,,,KNBLWBFJHZHYFG-INIZCTEOSA-N,,,,,,,,,,,
100.017.706,219-476-8,2442-62-8,"1-(hydroxymethyl)ethane-1,2-diyl bis[(9Z,12Z)-octadeca-9,12-dienoate]","3-hydroxypropane-1,2-diyl bisoctadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3",C39H68O5,,,,,,MQGBAQLIFKSMEM-MAZCIEHSSA-N,,,,,,,,,,,
100.015.414,216-955-3,1707-92-2,Tribenzyl phosphate,tribenzyl phosphate,O=P(OCc1ccccc1)(OCc2ccccc2)OCc3ccccc3,O=P(OCc1ccccc1)(OCc2ccccc2)OCc3ccccc3,"InChI=1/C21H21O4P/c22-26(23-16-19-10-4-1-5-11-19,24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15H,16-18H2",C21H21O4P,,,,,,OACSUWPJZKGHHK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.416,216-957-4,1708-29-8,"2,5-dihydrofuran","2,5-dihydrofuran",C1OCC=C1,C1OCC=C1,"InChI=1/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2",C4H6O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11932,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.416,ARGCQEVBJHPOGB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.418,216-960-0,1708-35-6,"2-hexyl-1,3-dioxolane-4-methanol","(2-hexyl-1,3-dioxolan-4-yl)methanol",CCCCCCC1OCC(CO)O1,CCCCCCC1OCC(CO)O1,"InChI=1/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3",C10H20O3,,,,,,TYRXGKKCQUIWGI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.422,216-964-2,1708-81-2,(Z)-hept-3-en-1-ol,hept-3-en-1-ol,CCC\\C=C/CCO,CCC\C=C/CCO,"InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3",C7H14O,,,,,,SDZQUCJFTUULJX-PLNGDYQASA-N,,,,,,,,,,,
100.015.425,216-967-9,1708-99-2,3-methylpent-3-en-1-ol,3-methylpent-3-en-1-ol,CC(=CC)CCO,CC(=CC)CCO,"InChI=1/C6H12O/c1-3-6(2)4-5-7/h3,7H,4-5H2,1-2H3",C6H12O,,,,,,SZPKMIRLEAFMBV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.426,216-968-4,1709-44-0,m-aminobenzaldehyde,3-aminobenzaldehyde,Nc1cccc(C=O)c1,Nc1cccc(C=O)c1,"InChI=1/C7H7NO/c8-7-3-1-2-6(4-7)5-9/h1-5H,8H2",C7H7NO,,,,,,SIXYIEWSUKAOEN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.427,216-970-5,1709-59-7,"4-amino-N,N-dimethylbenzenesulphonamide","4-amino-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(N)cc1,CN(C)S(=O)(=O)c1ccc(N)cc1,"InChI=1/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3",C8H12N2O2S,,,,,,BABGMPQXLCJMSK-UHFFFAOYSA-N,Positive,SM878401;UF417001|UF417002|UF417003|UF417004,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,156.0113:108.0444:92.0495;92.0497:108.0447:156.0119|92.0497:108.0446:110.0603|156.0118:108.0447:92.0497|156.0118:108.0447:92.0497,CASMI_2016;UFZ,,,,,
100.015.429,216-972-6,1710-55-0,"2,3-dihydro-5-methoxy-1,4-benzodioxin","5-methoxy-2,3-dihydro-1,4-benzodioxine",COc1cccc2OCCOc12,COc1cccc2OCCOc12,"InChI=1/C9H10O3/c1-10-7-3-2-4-8-9(7)12-6-5-11-8/h2-4H,5-6H2,1H3",C9H10O3,,,,,,DLMVOXMRGJFYOC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.430,216-973-1,1710-98-1,4-tert-butylbenzoyl chloride,4-tert-butylbenzoyl chloride,CC(C)(C)c1ccc(cc1)C(=O)Cl,CC(C)(C)c1ccc(cc1)C(=O)Cl,"InChI=1/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3",C11H13ClO,,,,,,WNLMYNASWOULQY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.432,216-975-2,1711-05-3,m-anisoyl chloride,3-methoxybenzoyl chloride,COc1cccc(c1)C(=O)Cl,COc1cccc(c1)C(=O)Cl,"InChI=1/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3",C8H7ClO2,,,,,,RUQIUASLAXJZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.433,216-976-8,1711-06-4,m-toluoyl chloride,3-methylbenzoyl chloride,Cc1cccc(c1)C(=O)Cl,Cc1cccc(c1)C(=O)Cl,"InChI=1/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3",C8H7ClO,,,,,,YHOYYHYBFSYOSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.793,229-471-2,6550-46-5,5-methyl-2-(1-methylethyl)phenyl palmitate,2-isopropyl-5-methylphenyl palmitate,CCCCCCCCCCCCCCCC(=O)Oc1cc(C)ccc1C(C)C,CCCCCCCCCCCCCCCC(=O)Oc1cc(C)ccc1C(C)C,"InChI=1/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-25-21-23(4)19-20-24(25)22(2)3/h19-22H,5-18H2,1-4H3",C26H44O2,,,,,,ZAYCLSYLSAJBBX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.389,229-027-8,6406-32-2,Disodium 8-[(4-methylphenyl)amino]-5-[[4-(phenylazo)-7-sulphonatonaphthyl]azo]naphthalenesulphonate,disodium 8-[(4-methylphenyl)amino]-5-{[4-(phenyldiazenyl)-7-sulfonato-1-naphthyl]diazenyl}naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccc(C)cc2)ccc6N=Nc5ccc(N=Nc3ccccc3)c4ccc(cc45)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccc(C)cc2)ccc6N=Nc5ccc(N=Nc3ccccc3)c4ccc(cc45)S([O-])(=O)=O,"InChI=1/C33H25N5O6S2.2Na/c1-21-10-12-22(13-11-21)34-31-19-18-29(26-8-5-9-32(33(26)31)46(42,43)44)37-38-30-17-16-28(36-35-23-6-3-2-4-7-23)25-15-14-24(20-27(25)30)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C33H25N5O6S2.2Na,,,,,,WIJFNHCSNFYEFH-UHFFFAOYSA-L,,,,,,,,,,,
100.026.392,229-030-4,6406-60-6,Sodium 4-[[5-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-2-methylphenyl]azo]benzenesulphonate,sodium 4-({5-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]-2-methylphenyl}diazenyl)benzenesulfonate,[Na+].Oc4cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc4N=Nc2c3ccccc3ccc2O,[Na+].Oc4cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc4N=Nc2c3ccccc3ccc2O,"InChI=1/C23H18N4O5S.Na/c1-14-12-20(26-27-23-18-5-3-2-4-15(18)6-11-21(23)28)22(29)13-19(14)25-24-16-7-9-17(10-8-16)33(30,31)32;/h2-13,28-29H,1H3,(H,30,31,32);/q;+1/p-1",C23H18N4O5S.Na,,,,,,KDQWLTCURSXZSP-UHFFFAOYSA-M,,,,,,,,,,,
100.026.394,229-033-0,6406-74-2,"4-amino-N,N-dimethylbenzylamine",4-[(dimethylamino)methyl]aniline,CN(C)Cc1ccc(N)cc1,CN(C)Cc1ccc(N)cc1,"InChI=1/C9H14N2/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7,10H2,1-2H3",C9H14N2,,,,,,NNCCQALFJIMRKB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.396,229-035-1,6406-87-7,Trisodium 5-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-8-[[4-(phenylazo)-7-sulphonatonaphthyl]azo]naphthalene-2-sulphonate,trisodium 6-amino-4-hydroxy-3-[(4-{[4-(phenyldiazenyl)-7-sulfonato-1-naphthyl]diazenyl}-6-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc7c(cc1)c(N=Nc2ccccc2)ccc7N=Nc6ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc7c(cc1)c(N=Nc2ccccc2)ccc7N=Nc6ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,"InChI=1/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-31-13-15-33(29-19-24(55(48,49)50)9-11-26(29)31)41-40-32-14-12-30(39-38-22-4-2-1-3-5-22)25-10-8-23(18-28(25)32)54(45,46)47;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C36H25N7O10S3.3Na,,,,,,GLMGZPBESXZAHR-UHFFFAOYSA-K,,,,,,,,,,,
100.026.397,229-036-7,6407-55-2,"1,8-dimethoxyanthraquinone","1,8-dimethoxy-9,10-anthraquinone",COc1cccc2C(=O)c3cccc(OC)c3C(=O)c12,COc1cccc2C(=O)c3cccc(OC)c3C(=O)c12,"InChI=1/C16H12O4/c1-19-11-7-3-5-9-13(11)16(18)14-10(15(9)17)6-4-8-12(14)20-2/h3-8H,1-2H3",C16H12O4,,,,,,QCSZITHNACKGTF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.398,229-037-2,6407-69-8,"1,4,5-triaminoanthraquinone","1,4,5-triamino-9,10-anthraquinone",Nc1cccc2C(=O)c3c(N)ccc(N)c3C(=O)c12,Nc1cccc2C(=O)c3c(N)ccc(N)c3C(=O)c12,"InChI=1/C14H11N3O2/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5H,15-17H2",C14H11N3O2,,,,,,MKARJQUHEFPSDM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.403,229-043-5,6407-78-9,"4-[(2,4-dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2,4-dimethylphenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",Cc3ccc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(C)c3,Cc3ccc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(C)c3,"InChI=1/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-20-17-14(3)21-22(18(17)23)15-7-5-4-6-8-15/h4-11,17H,1-3H3",C18H18N4O,,,,,,KLQVCADYSBUVAV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.405,229-045-6,6407-81-4,4-hydroxy-3-[(2-nitrophenyl)azo]-2-quinolone,4-hydroxy-3-[(2-nitrophenyl)diazenyl]quinolin-2(1H)-one,[O-][N+](=O)c3ccccc3N=N\\C1=C(/O)c2ccccc2NC1=O,[O-][N+](=O)c3ccccc3N=N\C1=C(/O)c2ccccc2NC1=O,"InChI=1/C15H10N4O4/c20-14-9-5-1-2-6-10(9)16-15(21)13(14)18-17-11-7-3-4-8-12(11)19(22)23/h1-8H,(H2,16,20,21)",C15H10N4O4,,,,,,CHCSKFZSJAOUBL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.416,229-057-1,6408-39-5,Sodium 5-[[4-(acetylamino)phenyl]azo]salicylate,sodium 5-[(4-acetamidophenyl)diazenyl]-2-hydroxybenzoate,[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(NC(C)=O)cc2,[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(NC(C)=O)cc2,"InChI=1/C15H13N3O4.Na/c1-9(19)16-10-2-4-11(5-3-10)17-18-12-6-7-14(20)13(8-12)15(21)22;/h2-8,20H,1H3,(H,16,19)(H,21,22);/q;+1/p-1",C15H13N3O4.Na,,,,,,GTYIXXVMPDCSMV-UHFFFAOYSA-M,,,,,,,,,,,
100.026.418,229-059-2,6408-50-0,1-(methylamino)-4-[(3-methylphenyl)amino]anthraquinone,"1-(methylamino)-4-[(3-methylphenyl)amino]-9,10-anthraquinone",CNc1ccc(Nc2cccc(C)c2)c3C(=O)c4ccccc4C(=O)c13,CNc1ccc(Nc2cccc(C)c2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H18N2O2/c1-13-6-5-7-14(12-13)24-18-11-10-17(23-2)19-20(18)22(26)16-9-4-3-8-15(16)21(19)25/h3-12,23-24H,1-2H3",C22H18N2O2,,,,,,GBAJQXFGDKEDBM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.420,218-060-3,2044-72-6,"2',5'-dichloroacetoacetanilide","N-[2,5-bis(chloroacetyl)phenyl]acetamide",CC(=O)Nc1cc(ccc1C(=O)CCl)C(=O)CCl,CC(=O)Nc1cc(ccc1C(=O)CCl)C(=O)CCl,"InChI=1/C12H11Cl2NO3/c1-7(16)15-10-4-8(11(17)5-13)2-3-9(10)12(18)6-14/h2-4H,5-6H2,1H3,(H,15,16)",C10H9Cl2NO2,,,,,,DOKDUZMBECOWJB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.425,218-066-6,2045-79-6,4-methoxyphenethylamine,2-(4-methoxyphenyl)ethanamine,COc1ccc(CCN)cc1,COc1ccc(CCN)cc1,"InChI=1/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3",C9H13NO,,,,,,LTPVSOCPYWDIFU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.427,218-068-7,2046-18-6,4-phenylbutyronitrile,4-phenylbutanenitrile,N#CCCCc1ccccc1,N#CCCCc1ccccc1,"InChI=1/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2",C10H11N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10482,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.427,ICMVGKQFVMTRLB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.434,218-076-0,2049-95-8,tert-pentylbenzene,"(1,1-dimethylpropyl)benzene",CCC(C)(C)c1ccccc1,CCC(C)(C)c1ccccc1,"InChI=1/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",C11H16,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10564,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.434,QHTJSSMHBLGUHV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.439,218-081-8,1/09/2050,3-methylbutyl valerate,3-methylbutyl valerate,CCCCC(=O)OCCC(C)C,CCCCC(=O)OCCC(C)C,"InChI=1/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3",C10H20O2,,,,,,UBLAMKHIFZBBSS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.441,218-083-9,2050-20-6,Diethyl pimelate,diethyl pimelate,CCOC(=O)CCCCCC(=O)OCC,CCOC(=O)CCCCCC(=O)OCC,"InChI=1/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3",C11H20O4,,,,,,LKKOGZVQGQUVHF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.444,218-087-0,2050-34-2,"4-[(2,4-dihydroxyphenyl)azo]benzenesulphonic acid","4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid",Oc2cc(O)ccc2N=Nc1ccc(cc1)S(O)(=O)=O,Oc2cc(O)ccc2N=Nc1ccc(cc1)S(O)(=O)=O,"InChI=1/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)",C12H10N2O5S,,,,,,MHKGJUOEEHNBLE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.447,218-090-7,2050-47-7,Bis(4-bromophenyl) ether,"1,1'-oxybis(4-bromobenzene)",Brc1ccc(Oc2ccc(Br)cc2)cc1,Brc1ccc(Oc2ccc(Br)cc2)cc1,InChI=1/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,C12H8Br2O,,,,,,YAWIAFUBXXPJMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.451,218-094-9,2050-66-0,Bis(4-chloro-2-nitrophenyl) disulphide,"1,1'-disulfanediylbis(4-chloro-2-nitrobenzene)",[O-][N+](=O)c1cc(Cl)ccc1SSc2ccc(Cl)cc2[N+](=O)[O-],[O-][N+](=O)c1cc(Cl)ccc1SSc2ccc(Cl)cc2[N+](=O)[O-],InChI=1/C12H6Cl2N2O4S2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H,C12H6Cl2N2O4S2,,,,,,DESADCWXGJLRSR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.822,221-803-4,3239-35-8,"(E)-6,10-dimethylundeca-5,9-dien-2-yl acetate","1,5,9-trimethyldeca-4,8-dien-1-yl acetate",CC(CC\\C=C(/C)\\CCC=C(C)C)OC(=O)C,CC(CC\C=C(/C)\CCC=C(C)C)OC(=O)C,"InChI=1/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3",C15H26O2,,,,,,BXGLLMNDXKACMT-JLHYYAGUSA-N,,,,,,,,,,,
100.019.823,221-805-5,3239-37-0,"(Z)-6,10-dimethylundeca-5,9-dien-2-yl acetate","1,5,9-trimethyldeca-4,8-dien-1-yl acetate",CC(CC\\C=C(\\C)/CCC=C(C)C)OC(=O)C,CC(CC\C=C(\C)/CCC=C(C)C)OC(=O)C,"InChI=1/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3",C15H26O2,,,,,,BXGLLMNDXKACMT-RAXLEYEMSA-N,,,,,,,,,,,
100.019.825,221-807-6,3/09/3240,5-methylhex-5-en-2-one,5-methylhex-5-en-2-one,CC(=C)CCC(=O)C,CC(=C)CCC(=O)C,"InChI=1/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3",C7H12O,,,,,,VBCIOOKAKHGVMI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.826,221-808-1,3240-34-4,Bis(acetato-O)phenyliodine,diacetoxy(phenyl)-lambda~3~-iodane,CC(=O)OI(OC(=O)C)c1ccccc1,CC(=O)OI(OC(=O)C)c1ccccc1,"InChI=1/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3",C10H11IO4,,,,,,ZBIKORITPGTTGI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.828,221-810-2,3240-94-6,4-(2-chloroethyl)morpholine,4-(2-chloroethyl)morpholine,ClCCN1CCOCC1,ClCCN1CCOCC1,InChI=1/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2,C6H12ClNO,,,,,,ZAPMTSHEXFEPSD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.837,221-820-7,3246-20-6,"Sodium 1,4-dinonyl sulphonatosuccinate","sodium 1,4-bis(nonyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C22H42O7S.Na/c1-3-5-7-9-11-13-15-17-28-21(23)19-20(30(25,26)27)22(24)29-18-16-14-12-10-8-6-4-2;/h20H,3-19H2,1-2H3,(H,25,26,27);/q;+1/p-1",C22H42O7S.Na,,,,,,OQFRATAOPGTAOP-UHFFFAOYSA-M,,,,,,,,,,,
100.019.838,221-821-2,3246-27-3,tert-butyl 2-butenoate,tert-butyl but-2-enoate,CC(C)(C)OC(=O)C=CC,CC(C)(C)OC(=O)C=CC,"InChI=1/C8H14O2/c1-5-6-7(9)10-8(2,3)4/h5-6H,1-4H3",C8H14O2,,,,,,QHSPZGZEUDEIQM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.842,221-825-4,3247-56-1,"N,N'-(2-amino-5-nitrosopyrimidine-4,6-diyl)bisacetamide","N,N'-(2-amino-5-nitrosopyrimidine-4,6-diyl)diacetamide",CC(=O)Nc1nc(N)nc(NC(=O)C)c1N=O,CC(=O)Nc1nc(N)nc(NC(=O)C)c1N=O,"InChI=1/C8H10N6O3/c1-3(15)10-6-5(14-17)7(11-4(2)16)13-8(9)12-6/h1-2H3,(H4,9,10,11,12,13,15,16)",C8H10N6O3,,,,,,KOMRBHKFIBWHEN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.844,221-828-0,3248-28-0,Dipropionyl peroxide,diethylperoxyanhydride,CCC(=O)OOC(=O)CC,CCC(=O)OOC(=O)CC,"InChI=1/C6H10O4/c1-3-5(7)9-10-6(8)4-2/h3-4H2,1-2H3",C6H10O4,,,,,,KOPQZJAYZFAPBC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.830,229-512-4,6582-52-1,"2,2'-methylenedianiline","2,2'-methylenedianiline",Nc1ccccc1Cc2ccccc2N,Nc1ccccc1Cc2ccccc2N,"InChI=1/C13H14N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,14-15H2",C13H14N2,,,,,,OHKOAJUTRVTYSW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.834,229-517-1,6587-33-3,"D-gluconic acid, compound with (9S)-6'-methoxycinchonan-9-ol",6'-methoxycinchonan-9-ol - D-gluconic acid (1:1),COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C20H24N2O2.C6H12O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)",C20H24N2O2.xC6H12O7,,,,,,XHKUDCCTVQUHJQ-LCYSNFERSA-N,,,,,,,,,,,
100.026.837,229-520-8,6588-78-9,"6,6-dimethylbicyclo[3.1.1]heptane-2-methanethiol","(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methanethiol",CC1(C)C2CCC(CS)C1C2,CC1(C)C2CCC(CS)C1C2,"InChI=1/C10H18S/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3",C10H18S,,,,,,KJBPNJMAGDDRRN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.429,229-071-8,6408-90-8,Sodium 2-[[4-[[3-methyl-4-[(phenylsulphonyl)oxy]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate,sodium 2-{[4-({3-methyl-4-[(phenylsulfonyl)oxy]phenyl}diazenyl)phenyl]amino}-5-nitrobenzenesulfonate,[Na+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccccc4,[Na+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccccc4,"InChI=1/C25H20N4O8S2.Na/c1-17-15-20(11-14-24(17)37-39(35,36)22-5-3-2-4-6-22)28-27-19-9-7-18(8-10-19)26-23-13-12-21(29(30)31)16-25(23)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1",C25H20N4O8S2.Na,,,,,,JJOZGUHSYVEZEB-UHFFFAOYSA-M,,,,,,,,,,,
100.026.431,229-073-9,6408-99-7,Dipotassium 3-[[5-(tert-butyl)-2-hydroxyphenyl]azo]-2-hydroxy-5-nitrobenzenesulphonate,dipotassium 3-[[5-(tert-butyl)-2-hydroxyphenyl]azo]-2-hydroxy-5-nitrobenzenesulphonate,[K+].[K+].Oc2c(cc(cc2N=Nc1cc(ccc1O)C(C)(C)C)[N+]([O-])=O)S([O-])(=O)=O.CC(C)(C)c2cc(N=Nc1cc(cc(c1O)S([O-])(=O)=O)[N+]([O-])=O)c(O)cc2,[K+].[K+].Oc2c(cc(cc2N=Nc1cc(ccc1O)C(C)(C)C)[N+]([O-])=O)S([O-])(=O)=O.CC(C)(C)c2cc(N=Nc1cc(cc(c1O)S([O-])(=O)=O)[N+]([O-])=O)c(O)cc2,"InChI=1/2C16H17N3O7S.2K/c2*1-16(2,3)9-4-5-13(20)11(6-9)17-18-12-7-10(19(22)23)8-14(15(12)21)27(24,25)26;;/h2*4-8,20-21H,1-3H3,(H,24,25,26);;/q;;2*+1/p-2",C16H17N3O7S.2K,,,,,,GNZIRZBFFNMWAT-UHFFFAOYSA-L,,,,,,,,,,,
100.026.432,229-074-4,5/02/6409,"Sodium 4-[(2,4-dihydroxyphenyl)azo]-3-hydroxynaphthalene-1-sulphonate","sodium 4-[(2,4-dihydroxyphenyl)diazenyl]-3-hydroxynaphthalene-1-sulfonate",[Na+].Oc3cc(O)ccc3N=Nc2c1ccccc1c(cc2O)S([O-])(=O)=O,[Na+].Oc3cc(O)ccc3N=Nc2c1ccccc1c(cc2O)S([O-])(=O)=O,"InChI=1/C16H12N2O6S.Na/c19-9-5-6-12(13(20)7-9)17-18-16-11-4-2-1-3-10(11)15(8-14(16)21)25(22,23)24;/h1-8,19-21H,(H,22,23,24);/q;+1/p-1",C16H12N2O6S.Na,,,,,,PGWPKNCAOITGHF-UHFFFAOYSA-M,,,,,,,,,,,
100.026.435,229-078-6,5/10/6409,Sodium 4-[(4-hydroxynaphthyl)azo]naphthalenesulphonate,sodium 4-[(4-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1ccc(O)c2ccccc12)c3ccccc34,[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1ccc(O)c2ccccc12)c3ccccc34,"InChI=1/C20H14N2O4S.Na/c23-19-11-9-17(13-5-1-3-7-15(13)19)21-22-18-10-12-20(27(24,25)26)16-8-4-2-6-14(16)18;/h1-12,23H,(H,24,25,26);/q;+1/p-1",C20H14N2O4S.Na,,,,,,RTMDXOMALVABDU-UHFFFAOYSA-M,,,,,,,,,,,
100.026.436,229-079-1,6409-15-0,"1,4-diamino-2,3-dibromoanthraquinone","1,4-diamino-2,3-dibromo-9,10-anthraquinone",Nc1c(Br)c(Br)c(N)c2C(=O)c3ccccc3C(=O)c12,Nc1c(Br)c(Br)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8Br2N2O2/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-3-1-2-4-6(5)14(8)20/h1-4H,17-18H2",C14H8Br2N2O2,,,,,,WETZVVQTMWRYHU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.443,229-087-5,6409-74-1,"N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)benzamide","N-(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",Oc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13,Oc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C21H13NO4/c23-16-11-10-15(22-21(26)12-6-2-1-3-7-12)17-18(16)20(25)14-9-5-4-8-13(14)19(17)24/h1-11,23H,(H,22,26)",C21H13NO4,,,,,,JTXHDKYIXSLUNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.449,229-093-8,2/10/6410,1-(p-nitrophenylazo)-2-naphthol,1-[(4-nitrophenyl)diazenyl]-2-naphthol,[O-][N+](=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O,[O-][N+](=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O,"InChI=1/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H",C16H11N3O3,,,,,,WOTPFVNWMLFMFW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.451,229-095-9,6410-20-4,1-[(2-methoxy-3-methylphenyl)azo]-2-naphthol,1-[(2-methoxy-3-methylphenyl)diazenyl]-2-naphthol,Cc3cccc(N=Nc1c2ccccc2ccc1O)c3OC,Cc3cccc(N=Nc1c2ccccc2ccc1O)c3OC,"InChI=1/C18H16N2O2/c1-12-6-5-9-15(18(12)22-2)19-20-17-14-8-4-3-7-13(14)10-11-16(17)21/h3-11,21H,1-2H3",C18H16N2O2,,,,,,VGUGDECVOLBDTH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.457,229-103-0,6410-35-1,"4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide","4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-(4-methylphenyl)-2-naphthamide",Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(C)cc1)c2O,Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(C)cc1)c2O,"InChI=1/C24H17Cl2N3O2/c1-14-6-9-17(10-7-14)27-24(31)19-12-15-4-2-3-5-18(15)22(23(19)30)29-28-21-13-16(25)8-11-20(21)26/h2-13,30H,1H3,(H,27,31)",C24H17Cl2N3O2,,,,,,KFOYYXXCGWLMAC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.435,216-978-9,1711-09-7,3-bromobenzoyl chloride,3-bromobenzoyl chloride,ClC(=O)c1cccc(Br)c1,ClC(=O)c1cccc(Br)c1,InChI=1/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,C7H4BrClO,,,,,,PBOOZQFGWNZNQE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.441,216-985-7,1712-71-6,1-chloro-3-isopropenylbenzene,1-chloro-3-isopropenylbenzene,CC(=C)c1cccc(Cl)c1,CC(=C)c1cccc(Cl)c1,"InChI=1/C9H9Cl/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3",C9H9Cl,,,,,,KECZPSPBNNGWDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.442,216-986-2,1712-74-9,(1-ethoxy-1-methylethyl)benzene,(1-ethoxy-1-methylethyl)benzene,CCOC(C)(C)c1ccccc1,CCOC(C)(C)c1ccccc1,"InChI=1/C11H16O/c1-4-12-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",C11H16O,,,,,,JNPNJMJXGPZCNE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.448,216-993-0,1713-85-5,3-chloro-2-hydroxypropionic acid,3-chloro-2-hydroxypropanoic acid,OC(CCl)C(=O)O,OC(CCl)C(=O)O,"InChI=1/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)",C3H5ClO3,,,,,,OSLCJYYQMKPZHU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.449,216-994-6,1715-30-6,"N,N''-bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediamidine dihydrochloride","N',N'''''-hexane-1,6-diylbis[N-(2-ethylhexyl)(imidodicarbonimidic diamide)] dihydrochloride",Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC,Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC,"InChI=1/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H",C26H56N10.2ClH,,,,,,BRJJFBHTDVWTCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.333,243-282-2,19764-96-6,"2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)hepta-1,3,5-trienyl]-1,3,3-trimethyl-3H-indolium iodide","1,3,3-trimethyl-2-[7-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3H-indolium iodide",[I-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=CC=CC=C3N(C)c2ccccc2C3(C)C,[I-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=CC=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C29H33N2.HI/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;/h7-21H,1-6H3;1H/q+1;/p-1",C29H33N2.I,,,,,,JKXWXYURKUEZHV-UHFFFAOYSA-M,,,,,,,,,,,
100.039.335,243-284-3,19767-25-0,"3-[2-(piperidin-1-yl)ethoxy]-1,2-benzisothiazole","3-(2-piperidin-1-ylethoxy)-1,2-benzisothiazole",C(CN1CCCCC1)Oc2nsc3ccccc23,C(CN1CCCCC1)Oc2nsc3ccccc23,"InChI=1/C14H18N2OS/c1-4-8-16(9-5-1)10-11-17-14-12-6-2-3-7-13(12)18-15-14/h2-3,6-7H,1,4-5,8-11H2",C14H18N2OS,,,,,,MSIQTUORZDHNAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.339,243-289-0,19773-46-7,Butyl (Z)-docos-13-enoate,butyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCCCC,"InChI=1/C26H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h12-13H,3-11,14-25H2,1-2H3",C26H50O2,,,,,,AMUBFTQQLDHNQU-SEYXRHQNSA-N,,,,,,,,,,,
100.039.345,243-295-3,19780-10-0,Dodecan-5-one,dodecan-5-one,CCCCCCCC(=O)CCCC,CCCCCCCC(=O)CCCC,"InChI=1/C12H24O/c1-3-5-7-8-9-11-12(13)10-6-4-2/h3-11H2,1-2H3",C12H24O,,,,,,DOXYUCZSYSEALW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.347,243-297-4,19780-16-6,Octadecyloxirane,2-octadecyloxirane,CCCCCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCCCCC1CO1,"InChI=1/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21-20/h20H,2-19H2,1H3",C20H40O,,,,,,BHZBVWCLMYQFQX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.350,243-301-4,19780-41-7,3-ethylheptan-3-ol,3-ethylheptan-3-ol,CCCCC(O)(CC)CC,CCCCC(O)(CC)CC,"InChI=1/C9H20O/c1-4-7-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3",C9H20O,,,,,,XKRZDNKKANUBPV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.351,243-303-5,19780-56-4,1-ethyl-2-methylcyclopentene,1-ethyl-2-methylcyclopentene,CCC1=C(C)CCC1,CCC1=C(C)CCC1,"InChI=1/C8H14/c1-3-8-6-4-5-7(8)2/h3-6H2,1-2H3",C8H14,,,,,,MMYZGQDXYZNAQW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.352,243-304-0,19780-84-8,Hex-5-yn-3-ol,hex-5-yn-3-ol,CCC(O)CC#C,CCC(O)CC#C,"InChI=1/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3",C6H10O,,,,,,AJYGRAORQSCNED-UHFFFAOYSA-N,,,,,,,,,,,
100.039.354,243-306-1,19781-13-6,"4,7-dimethyloctan-4-ol","4,7-dimethyloctan-4-ol",CCCC(C)(O)CCC(C)C,CCCC(C)(O)CCC(C)C,"InChI=1/C10H22O/c1-5-7-10(4,11)8-6-9(2)3/h9,11H,5-8H2,1-4H3",C10H22O,,,,,,OTISWHNJCUMBFI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.356,243-308-2,19781-73-8,Heptadecylcyclohexane,heptadecylcyclohexane,CCCCCCCCCCCCCCCCCC1CCCCC1,CCCCCCCCCCCCCCCCCC1CCCCC1,"InChI=1/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3",C23H46,,,,,,VLHZQNGNJQYAIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.359,243-311-9,19788-35-3,Methyl 5-methylisoxazole-3-carboxylate,methyl 5-methylisoxazole-3-carboxylate,COC(=O)c1cc(C)on1,COC(=O)c1cc(C)on1,"InChI=1/C6H7NO3/c1-4-3-5(7-10-4)6(8)9-2/h3H,1-2H3",C6H7NO3,,,,,,MVHHQOCEOUNTID-UHFFFAOYSA-N,,,,,,,,,,,
100.039.360,243-312-4,19788-37-5,"4-(chloromethyl)-3,5-dimethylisoxazole","4-(chloromethyl)-3,5-dimethylisoxazole",Cc1onc(C)c1CCl,Cc1onc(C)c1CCl,"InChI=1/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3",C6H8ClNO,,,,,,NIFAUKBQIAURIM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.368,243-321-3,19796-88-4,"3,5-dimethylhexanal","3,5-dimethylhexanal",CC(C)CC(C)CC=O,CC(C)CC(C)CC=O,"InChI=1/C8H16O/c1-7(2)6-8(3)4-5-9/h5,7-8H,4,6H2,1-3H3",C8H16O,,,,,,VWLITJGXNSANSN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.419,229-060-8,6408-51-1,"Sodium 4-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]amino]toluene-3-sulphonate","sodium 5-methyl-2-{[4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzenesulfonate",[Na+].CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13,[Na+].CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H18N2O5S.Na/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25;/h3-11,23-24H,1-2H3,(H,27,28,29);/q;+1/p-1",C22H18N2O5S.Na,,,,,,RIJLWEYDGZAVGC-UHFFFAOYSA-M,,,,,,,,,,,
100.026.421,229-062-9,6408-63-5,"Disodium 2,2'-((9,10-dihydro-9,10-dioxoanthracene-1,5-diimino)bis(5-methylbenzenesulphonate)","disodium 2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]bis(5-methylbenzenesulfonate)",Cc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)O[Na])cccc4C(=O)c23)c(c1)S(=O)(=O)O[Na],Cc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)O[Na])cccc4C(=O)c23)c(c1)S(=O)(=O)O[Na],"InChI=1/C28H22N2O8S2.2Na/c1-15-9-11-19(23(13-15)39(33,34)35)29-21-7-3-5-17-25(21)27(31)18-6-4-8-22(26(18)28(17)32)30-20-12-10-16(2)14-24(20)40(36,37)38;;/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/rC28H20N2Na2O8S2/c1-15-9-11-19(23(13-15)41(35,36)39-31)29-21-7-3-5-17-25(21)27(33)18-6-4-8-22(26(18)28(17)34)30-20-12-10-16(2)14-24(20)42(37,38)40-32/h3-14,29-30H,1-2H3",C28H22N2O8S2.2Na,,,,,,FBNCDTLHQPLASV-UHFFFAOYSA-L,,,,,,,,,,,
100.025.251,227-776-5,5/08/5978,"2-(3-chloropropyl)-2-methyl-1,3-dioxolane","2-(3-chloropropyl)-2-methyl-1,3-dioxolane",CC1(CCCCl)OCCO1,CC1(CCCCl)OCCO1,"InChI=1/C7H13ClO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6H2,1H3",C7H13ClO2,,,,,,OFERIRWCHSOJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.029.280,232-207-9,7790-46-7,Platinum tetraiodide,platinum tetraiodide,[I-].[I-].[I-].[I-].[Pt+2].[Pt+2],[I-].[I-].[I-].[I-].[Pt+2].[Pt+2],InChI=1/4HI.2Pt/h4*1H;;/q;;;;2*+2/p-4,I4Pt,,,,,,SULSWMASQCDBFX-UHFFFAOYSA-J,,,,,,,,,,,
100.029.286,232-214-7,7790-59-2,Potassium selenate,dipotassium selenate,[K+].[K+].[O-][Se](=O)(=O)[O-],[K+].[K+].[O-][Se](=O)(=O)[O-],"InChI=1/2K.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O4Se.2K,,,,,,YAZJAPBTUDGMKO-UHFFFAOYSA-L,,,,,,,,,,,
100.029.294,232-223-6,7790-80-9,Cadmium iodide,cadmium diiodide,[Cd+2].[I-].[I-],[Cd+2].[I-].[I-],InChI=1/Cd.2HI/h;2*1H/q+2;;/p-2,CdI2,,,,,,OKIIEJOIXGHUKX-UHFFFAOYSA-L,,,,,,,,,,,
100.029.296,232-225-7,7790-83-2,Cadmium dinitrite,cadmium dinitrite,[Cd+2].[O-]N=O.[O-]N=O,[Cd+2].[O-]N=O.[O-]N=O,"InChI=1/Cd.2HNO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2",Cd.2HNO2,,,,,,LVXNTESFNBTPMI-UHFFFAOYSA-L,,,,,,,,,,,
100.029.306,232-236-7,7790-99-0,Iodine monochloride,-,ClI,ClI,InChI=1/ClI/c1-2,ClI,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13573,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.306,QZRGKCOWNLSUDK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.310,232-240-9,9/11/7791,Rubidium chloride,rubidium chloride,[Cl-].[Rb+],[Cl-].[Rb+],InChI=1/ClH.Rb/h1H;/q;+1/p-1,ClRb,,,,,,FGDZQCVHDSGLHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.029.311,232-241-4,7791-12-0,Thallium chloride,thallium(1+) chloride,[Cl-].[Tl+],[Cl-].[Tl+],InChI=1/ClH.Tl/h1H;/q;+1/p-1,ClTl,,,,,,GBECUEIQVRDUKB-UHFFFAOYSA-M,,,,,,,,,,,
100.029.316,232-247-7,7791-29-9,Potassium tetraiodoaurate,potassium tetraiodoaurate(1-),[K+].I[Au-](I)(I)I,[K+].I[Au-](I)(I)I,"InChI=1/Au.4HI.K/h;4*1H;/q+3;;;;;+1/p-4/rAuI4.K/c2-1(3,4)5;/q-1;+1",AuI4.K,,,,,,ZHHGTDYVCLDHHV-UHFFFAOYSA-J,,,,,,,,,,,
100.029.321,232-252-4,7797-83-3,"Benzo-1,3-dioxole-4-carboxaldehyde","1,3-benzodioxole-4-carbaldehyde",O=Cc1cccc2OCOc12,O=Cc1cccc2OCOc12,"InChI=1/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2",C8H6O3,,,,,,QZMQKPGVXNSITP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.797,229-475-4,6553-81-7,Butyl cyclohexanecarboxylate,butyl cyclohexanecarboxylate,CCCCOC(=O)C1CCCCC1,CCCCOC(=O)C1CCCCC1,"InChI=1/C11H20O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h10H,2-9H2,1H3",C11H20O2,,,,,,IPGMIYAOWRJGBE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.798,229-477-5,6553-82-8,1-methylpropyl cyclohexanecarboxylate,sec-butyl cyclohexanecarboxylate,CCC(C)OC(=O)C1CCCCC1,CCC(C)OC(=O)C1CCCCC1,"InChI=1/C11H20O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,ZCNBPOAOAOYPLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.805,229-484-3,6555-27-7,(±)-2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropiononitrile,2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile,COc1cc(CC(C)(N)C#N)ccc1O,COc1cc(CC(C)(N)C#N)ccc1O,"InChI=1/C11H14N2O2/c1-11(13,7-12)6-8-3-4-9(14)10(5-8)15-2/h3-5,14H,6,13H2,1-2H3",C11H14N2O2,,,,,,QTMSVFFNBUCGRA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.806,229-485-9,2/11/6556,Inositol nicotinate,"cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate",O=C(O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c3cccnc3)[C@@H](OC(=O)c4cccnc4)[C@H](OC(=O)c5cccnc5)[C@H]1OC(=O)c6cccnc6)c7cccnc7,O=C(O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c3cccnc3)[C@@H](OC(=O)c4cccnc4)[C@H](OC(=O)c5cccnc5)[C@H]1OC(=O)c6cccnc6)c7cccnc7,"InChI=1/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H",C42H30N6O12,,,,,,MFZCIDXOLLEMOO-GYSGTQPESA-N,,,,,,,,,,,
100.026.809,229-489-0,6567-98-2,"1,2-epoxyoctahydropentalene","octahydropentaleno[1,2-b]oxirene",C1CC2CC3OC3C2C1,C1CC2CC3OC3C2C1,"InChI=1/C8H12O/c1-2-5-4-7-8(9-7)6(5)3-1/h5-8H,1-4H2",C8H12O,,,,,,WMSIDAPKDOLAKY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.854,221-839-0,3251-56-7,2-methoxy-4-nitrophenol,2-methoxy-4-nitrophenol,COc1cc(ccc1O)[N+](=O)[O-],COc1cc(ccc1O)[N+](=O)[O-],"InChI=1/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3",C7H7NO4,,,,,,IZLVFLOBTPURLP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.856,221-841-1,3251-84-1,"[4-[a-[4-(cyclohexylamino)-1-naphthyl]-p-(dimethylamino)benzylidene]-2,5-cyclohexadien-1-ylidene]dimethylammonium chloride","N-(4-{[4-(cyclohexylamino)-1-naphthyl][4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(NC4CCCCC4)c5ccccc35,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(NC4CCCCC4)c5ccccc35,"InChI=1/C33H37N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h8-9,12-23,26H,5-7,10-11H2,1-4H3;1H",C33H38N3.Cl,,,,,,XPYRKKDYSGJSKK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.799,217-379-5,1829-32-9,3-chlorosalicylic acid,3-chloro-2-hydroxybenzoic acid,OC(=O)c1cccc(Cl)c1O,OC(=O)c1cccc(Cl)c1O,"InChI=1/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)",C7H5ClO3,,,,,,PPINMMULCRBDOS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.802,217-382-1,1829-41-0,Methoxytriphenylsilane,methoxy(triphenyl)silane,CO[Si](c1ccccc1)(c2ccccc2)c3ccccc3,CO[Si](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H18OSi/c1-20-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3",C19H18OSi,,,,,,BKXVGDZNDSIUAI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.807,217-387-9,1830-77-9,3-hydroxy-2'-methylanthracene-2-carboxanilide,3-hydroxy-N-(2-methylphenyl)anthracene-2-carboxamide,Cc1ccccc1NC(=O)c2cc3cc4ccccc4cc3cc2O,Cc1ccccc1NC(=O)c2cc3cc4ccccc4cc3cc2O,"InChI=1/C22H17NO2/c1-14-6-2-5-9-20(14)23-22(25)19-12-17-10-15-7-3-4-8-16(15)11-18(17)13-21(19)24/h2-13,24H,1H3,(H,23,25)",C22H17NO2,,,,,,XCDIDHPTOCAKAB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.808,217-388-4,1830-78-0,"2-hydroxy-1,3-propanediyl bismethacrylate","2-hydroxypropane-1,3-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCC(O)COC(=O)C(=C)C,CC(=C)C(=O)OCC(O)COC(=O)C(=C)C,"InChI=1/C11H16O5/c1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4/h9,12H,1,3,5-6H2,2,4H3",C11H16O5,,,,,,OQHMGFSAURFQAF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.811,217-392-6,1833-51-8,(chloromethyl)dimethylphenylsilane,(chloromethyl)(dimethyl)phenylsilane,C[Si](C)(CCl)c1ccccc1,C[Si](C)(CCl)c1ccccc1,"InChI=1/C9H13ClSi/c1-11(2,8-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",C9H13ClSi,,,,,,RJCTVFQQNCNBHG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.812,217-393-1,1833-53-0,Trimethyl[(1-methylvinyl)oxy]silane,(isopropenyloxy)(trimethyl)silane,CC(=C)O[Si](C)(C)C,CC(=C)O[Si](C)(C)C,"InChI=1/C6H14OSi/c1-6(2)7-8(3,4)5/h1H2,2-5H3",C6H14OSi,,,,,,UAIFZYSPVVBOPN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.818,217-399-4,1835-52-5,4-methyl hydrogen DL-aspartate hydrochloride,2-amino-4-methoxy-4-oxobutanoic acid hydrochloride (non-preferred name),Cl.COC(=O)C[C@H](N)C(=O)O,Cl.COC(=O)C[C@H](N)C(=O)O,"InChI=1/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H",C5H9NO4.ClH,,,,,,QRBMPUYOGOCYDJ-DFWYDOINSA-N,,,,,,,,,,,
100.015.819,217-400-8,1835-65-0,"3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile","3,4,5,6-tetrafluorophthalonitrile",Fc1c(F)c(F)c(C#N)c(C#N)c1F,Fc1c(F)c(F)c(C#N)c(C#N)c1F,InChI=1/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11,C8F4N2,,,,,,OFLRJMBSWDXSPG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.827,217-409-7,1838-04-6,Tetradecylammonium chloride,tetradecan-1-aminium chloride,[Cl-].CCCCCCCCCCCCCC[NH3+],[Cl-].CCCCCCCCCCCCCC[NH3+],"InChI=1/C14H31N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h2-15H2,1H3;1H",C14H31N.ClH,,,,,,KKWUACQXLWHLCX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.830,217-412-3,1838-39-7,Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate,ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate,CCOC(=O)CN1CCC(CC1)C(=O)OCC,CCOC(=O)CN1CCC(CC1)C(=O)OCC,"InChI=1/C12H21NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3",C12H21NO4,,,,,,OBXXSRPAQLOXJN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.839,217-422-8,1843-42-1,"2-(1,3,2-oxathiastibolan-2-ylthio)ethanol","2-(1,3,2-oxathiastibolan-2-ylsulfanyl)ethanol",OCCS[Sb]1OCCS1,OCCS[Sb]1OCCS1,"InChI=1/C2H6OS.C2H5OS.Sb/c2*3-1-2-4;/h3-4H,1-2H2;4H,1-2H2;/q;-1;+3/p-2/rC4H9O2S2Sb/c5-1-3-7-9-6-2-4-8-9/h5H,1-4H2",C4H9O2S2Sb,,,,,,UXLPASPDTIQGLQ-UHFFFAOYSA-L,,,,,,,,,,,
100.019.458,221-404-5,3085-82-3,N-isopropyl-N-phenyl-p-phenylenediamine,"N-isopropyl-N-phenylbenzene-1,4-diamine",CC(C)N(c1ccccc1)c2ccc(N)cc2,CC(C)N(c1ccccc1)c2ccc(N)cc2,"InChI=1/C15H18N2/c1-12(2)17(14-6-4-3-5-7-14)15-10-8-13(16)9-11-15/h3-12H,16H2,1-2H3",C15H18N2,,,,,,VRKQEIXDEZVPSY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.460,221-406-6,3086-62-2,"3,4,5-trimethoxybenzamide","3,4,5-trimethoxybenzamide",COc1cc(cc(OC)c1OC)C(=O)N,COc1cc(cc(OC)c1OC)C(=O)N,"InChI=1/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)",C10H13NO4,,,,,,GGNMTJKRHHLJHH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.464,221-410-8,3087-36-3,Titanium(4+) ethanolate,titanium(4+) tetraethanolate,[Ti+4].CC[O-].CC[O-].CC[O-].CC[O-],[Ti+4].CC[O-].CC[O-].CC[O-].CC[O-],"InChI=1/4C2H5O.Ti/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4",C2H6O.1/4Ti,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13707,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.464,JMXKSZRRTHPKDL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.458,229-104-6,6410-38-4,"4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide","4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide",Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O,Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O,"InChI=1/C24H17Cl2N3O3/c1-32-21-9-5-4-8-19(21)27-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)29-28-20-13-15(25)10-11-18(20)26/h2-13,30H,1H3,(H,27,31)",C24H17Cl2N3O3,,,,,,IBVDQFFVBKPVPB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.461,229-107-2,6410-41-9,"N-(5-chloro-2,4-dimethoxyphenyl)-4-[[5-[(diethylamino)sulphonyl]-2-methoxyphenyl]azo]-3-hydroxynaphthalene-2-carboxamide","N-(5-chloro-2,4-dimethoxyphenyl)-4-{[5-(diethylsulfamoyl)-2-methoxyphenyl]diazenyl}-3-hydroxy-2-naphthamide",COc1cc(OC)c(cc1Cl)NC(=O)c4cc2ccccc2c(N=Nc3cc(ccc3OC)S(=O)(=O)N(CC)CC)c4O,COc1cc(OC)c(cc1Cl)NC(=O)c4cc2ccccc2c(N=Nc3cc(ccc3OC)S(=O)(=O)N(CC)CC)c4O,"InChI=1/C30H31ClN4O7S/c1-6-35(7-2)43(38,39)19-12-13-25(40-3)24(15-19)33-34-28-20-11-9-8-10-18(20)14-21(29(28)36)30(37)32-23-16-22(31)26(41-4)17-27(23)42-5/h8-17,36H,6-7H2,1-5H3,(H,32,37)",C30H31ClN4O7S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10017,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.461,LMULDSDQRQVZMW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.272,227-799-0,5984-83-8,Fenabutene,4-(1-methylprop-1-en-1-yl)phenyl acetate,O=C(C)Oc1ccc(cc1)C(C)=CC,O=C(C)Oc1ccc(cc1)C(C)=CC,"InChI=1/C12H14O2/c1-4-9(2)11-5-7-12(8-6-11)14-10(3)13/h4-8H,1-3H3",C12H14O2,,,,,,SALPXBRLSNRTNE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.275,227-803-0,5985-24-0,Dimethyl 4-hydroxyisophthalate,dimethyl 4-hydroxyisophthalate,COC(=O)c1ccc(O)c(c1)C(=O)OC,COC(=O)c1ccc(O)c(c1)C(=O)OC,"InChI=1/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3",C10H10O5,,,,,,ALBUJVBOIXVVLS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.276,227-804-6,5985-28-4,4-hydroxy-a-[(methylamino)methyl]benzyl alcohol hydrochloride,4-[1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride,Cl.CNCC(O)c1ccc(O)cc1,Cl.CNCC(O)c1ccc(O)cc1,"InChI=1/C9H13NO2.ClH/c1-10-6-9(12)7-2-4-8(11)5-3-7;/h2-5,9-12H,6H2,1H3;1H",C9H13NO2.ClH,,,,,,COTCEGYSNTWJQV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.278,227-806-7,5986-38-9,"2,6-dimethyl-5,7-octadien-2-ol","2,6-dimethylocta-5,7-dien-2-ol",CC(C)(O)CCC=C(C)C=C,CC(C)(O)CCC=C(C)C=C,"InChI=1/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3",C10H18O,,,,,,IJFKZRMIRAVXRK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.283,227-811-4,9/05/5989,"[1S-(1a,3aß,4a,8aß)]-2-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)ethanol","2-(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-ylidene)ethanol",CC1(C)CCCC2(C)C3CCC(C13)C2=CCO,CC1(C)CCCC2(C)C3CCC(C13)C2=CCO,"InChI=1/C16H26O/c1-15(2)8-4-9-16(3)12(7-10-17)11-5-6-13(16)14(11)15/h7,11,13-14,17H,4-6,8-10H2,1-3H3",C16H26O,,,,,,XUMDBSUTEGMQRC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.292,227-821-9,5994-41-2,(trichloromethyl)phosphonic acid,(trichloromethyl)phosphonic acid,OP(=O)(O)C(Cl)(Cl)Cl,OP(=O)(O)C(Cl)(Cl)Cl,"InChI=1/CH2Cl3O3P/c2-1(3,4)8(5,6)7/h(H2,5,6,7)",CH2Cl3O3P,,,,,,NWEPJDPAVFDLBY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.294,227-824-5,5994-61-6,N-(carboxymethyl)-N-(phosphonomethyl)glycine,"2,2'-[(phosphonomethyl)imino]diacetic acid",OC(=O)CN(CC(=O)O)CP(=O)(O)O,OC(=O)CN(CC(=O)O)CP(=O)(O)O,"InChI=1/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)",C5H10NO7P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13577,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.294,AZIHIQIVLANVKD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.295,227-825-0,5995-25-5,[(methylimino)dimethylene]bisphosphonic acid,[(methylimino)bis(methylene)]bis(phosphonic acid),CN(CP(=O)(O)O)CP(=O)(O)O,CN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C3H11NO6P2/c1-4(2-11(5,6)7)3-12(8,9)10/h2-3H2,1H3,(H2,5,6,7)(H2,8,9,10)",C3H11NO6P2,,,,,,VTXYPEKJZXRXJB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.297,227-827-1,5995-28-8,[(butylimino)bis(methylene)]bisphosphonic acid,[(butylimino)bis(methylene)]bis(phosphonic acid),CCCCN(CP(=O)(O)O)CP(=O)(O)O,CCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C6H17NO6P2/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)",C6H17NO6P2,,,,,,VXYOTIXPEUMUSS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.880,227-367-1,5807-14-7,"1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine",C1CNC2=NCCCN2C1,C1CNC2=NCCCN2C1,"InChI=1/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)",C7H13N3,,,,,,FVKFHMNJTHKMRX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.882,227-369-2,5/08/5809,"1,1,3,3-tetramethylbutyl hydroperoxide","1,1,3,3-tetramethylbutyl hydroperoxide",CC(C)(C)CC(C)(C)OO,CC(C)(C)CC(C)(C)OO,"InChI=1/C8H18O2/c1-7(2,3)6-8(4,5)10-9/h9H,6H2,1-5H3",C8H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10047,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.882,MIRQGKQPLPBZQM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.848,229-532-3,6591-59-9,"Glycolic acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)","hydroxyacetic acid - 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (1:1)",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OCC(=O)O,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OCC(=O)O,"InChI=1/C20H21NO4.C2H4O3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;3-1-2(4)5/h5-8,10-12H,9H2,1-4H3;3H,1H2,(H,4,5)",C20H21NO4.C8H8O3,,,,,,GBJBOTPQKLOLLB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.370,243-323-4,19798-94-8,"Tetrahydro-6-methyl-6-phenyl-2H-1,3-oxazine","6-methyl-6-phenyl-1,3-oxazinane",CC1(CCNCO1)c2ccccc2,CC1(CCNCO1)c2ccccc2,"InChI=1/C11H15NO/c1-11(7-8-12-9-13-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3",C11H15NO,,,,,,AZJAHPUBENCFOO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.371,243-325-5,19800-42-1,4-[[2-methoxy-4-[(4-nitrophenyl)azo]phenyl]azo]phenol,4-({2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)phenol,COc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3ccc(cc3)[N+]([O-])=O,COc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3ccc(cc3)[N+]([O-])=O,"InChI=1/C19H15N5O4/c1-28-19-12-15(22-20-13-2-7-16(8-3-13)24(26)27)6-11-18(19)23-21-14-4-9-17(25)10-5-14/h2-12,25H,1H3",C19H15N5O4,,,,,,PTIVACHGVHIMMK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.373,243-327-6,19803-43-1,Ammonium methyl sulphate,ammonium methyl sulfate,[NH4+].COS(=O)(=O)[O-],[NH4+].COS(=O)(=O)[O-],"InChI=1/CH4O4S.H3N/c1-5-6(2,3)4;/h1H3,(H,2,3,4);1H3",CH4O4S.H3N,,,,,,IPTLKMXBROVJJF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.502,248-969-0,28324-52-9,Pinanyl hydroperoxide,"2,6,6-trimethylbicyclo[3.1.1]hept-1-yl hydroperoxide",CC1CCC2CC1(OO)C2(C)C,CC1CCC2CC1(OO)C2(C)C,"InChI=1/C10H18O2/c1-7-4-5-8-6-10(7,12-11)9(8,2)3/h7-8,11H,4-6H2,1-3H3",C10H18O2,,,,,,QVRCRSYOVMLBKS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.666,222-732-1,3590-59-8,"2,2-dibutyl-1,3,2-dioxastannolane","2,2-dibutyl-1,3,2-dioxastannolane",CCCC[Sn]1(CCCC)OCCO1,CCCC[Sn]1(CCCC)OCCO1,"InChI=1/2C4H9.C2H4O2.Sn/c2*1-3-4-2;3-1-2-4;/h2*1,3-4H2,2H3;1-2H2;/q;;-2;+2/rC10H22O2Sn/c1-3-5-9-13(10-6-4-2)11-7-8-12-13/h3-10H2,1-2H3",C10H22O2Sn,,,,,,STWBEJNHFFEKHC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.667,222-733-7,3590-84-9,Tetraoctyltin,tetraoctylstannane,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC,"InChI=1/4C8H17.Sn/c4*1-3-5-7-8-6-4-2;/h4*1,3-8H2,2H3;/rC32H68Sn/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3",C32H68Sn,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14232,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.667,JTGNPNLBCGBCMP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.674,222-741-0,7/11/3595,Propylhexedrine,1-cyclohexyl-N-methylpropan-2-amine,CNC(C)CC1CCCCC1,CNC(C)CC1CCCCC1,"InChI=1/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",C10H21N,,,,,,JCRIVQIOJSSCQD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.675,222-742-6,3595-14-0,(1-methylhexyl)ammonium sulphate,diheptan-2-aminium sulfate,CCCCCC(C)[NH3+].CCCCCC(C)[NH3+].[O-]S(=O)(=O)[O-],CCCCCC(C)[NH3+].CCCCCC(C)[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2C7H17N.H2O4S/c2*1-3-4-5-6-7(2)8;1-5(2,3)4/h2*7H,3-6,8H2,1-2H3;(H2,1,2,3,4)",C7H17N.xH2O4S,,,,,,XKUUMWKWUZRRPD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.680,222-747-3,3598-31-0,"6,6'-dimethyl[1,1'-biphenyl]-3,3',4,4'-tetraol","6,6'-dimethylbiphenyl-3,3',4,4'-tetrol",Cc1cc(O)c(O)cc1c2cc(O)c(O)cc2C,Cc1cc(O)c(O)cc1c2cc(O)c(O)cc2C,"InChI=1/C14H14O4/c1-7-3-11(15)13(17)5-9(7)10-6-14(18)12(16)4-8(10)2/h3-6,15-18H,1-2H3",C14H14O4,,,,,,XYSDSCUWKAPQBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.681,222-748-9,3598-37-6,Acepromazine hydrogen maleate,1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone but-2-enedioate,CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C.OC(=O)\\C=C/C(=O)O,CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C.OC(=O)\C=C/C(=O)O,"InChI=1/C19H22N2OS.C4H4O4/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C19H22N2OS.C4H4O4,,,,,,FQRHOOHLUYHMGG-BTJKTKAUSA-N,,,,,,,,,,,
100.020.686,222-754-1,3600-24-6,Diethyl trisulphide,diethyltrisulfane,CCSSSCC,CCSSSCC,"InChI=1/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3",C4H10S3,,,,,,OPMRTBDRQRSNDN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.687,222-755-7,3601-65-8,"2,3,4-trimethylvaleraldehyde","2,3,4-trimethylpentanal",CC(C)C(C)C(C)C=O,CC(C)C(C)C(C)C=O,"InChI=1/C8H16O/c1-6(2)8(4)7(3)5-9/h5-8H,1-4H3",C8H16O,,,,,,SITBGJYOJQJHHU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.688,222-756-2,3602-47-9,4'-fluoro-2-hydroxy-4-methoxybenzophenone,(4-fluorophenyl)(2-hydroxy-4-methoxyphenyl)methanone,COc1ccc(C(=O)c2ccc(F)cc2)c(O)c1,COc1ccc(C(=O)c2ccc(F)cc2)c(O)c1,"InChI=1/C14H11FO3/c1-18-11-6-7-12(13(16)8-11)14(17)9-2-4-10(15)5-3-9/h2-8,16H,1H3",C14H11FO3,,,,,,HFSXVVWNCWOVJR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.690,222-758-3,3603-99-4,Cyclotetradecan-1-one,cyclotetradecanone,O=C1CCCCCCCCCCCCC1,O=C1CCCCCCCCCCCCC1,InChI=1/C14H26O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-13H2,C14H26O,,,,,,FUGDHQXYVPQGLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.691,222-759-9,3604-60-2,"17-a-pregn-5-en-20-yne-3-ß,17-ß-diol","pregn-5-en-20-yne-3,17-diol",CC12CCC(O)CC1=CCC3C2CCC4(C)C3CCC4(O)C#C,CC12CCC(O)CC1=CCC3C2CCC4(C)C3CCC4(O)C#C,"InChI=1/C21H30O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,5,15-18,22-23H,6-13H2,2-3H3",C21H30O2,,,,,,VGJUOWGYQZYCII-UHFFFAOYSA-N,,,,,,,,,,,
100.026.810,229-490-6,6571-43-3,"5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca(b)pyridine","5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine",C1CCCCCc2ncccc2CCCC1,C1CCCCCc2ncccc2CCCC1,"InChI=1/C15H23N/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h9,11,13H,1-8,10,12H2",C15H23N,,,,,,KEOGXNQAWCDJJN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.813,229-493-2,6574-98-7,"2,4-dichlorobenzonitrile","2,4-dichlorobenzonitrile",Clc1ccc(C#N)c(Cl)c1,Clc1ccc(C#N)c(Cl)c1,InChI=1/C7H3Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,C7H3Cl2N,,,,,,GRUHREVRSOOQJG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.821,229-503-5,6575-13-9,"2,6-dimethylbenzonitrile","2,6-dimethylbenzonitrile",Cc1cccc(C)c1C#N,Cc1cccc(C)c1C#N,"InChI=1/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3",C9H9N,,,,,,QSACPWSIIRFHHR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.822,229-504-0,6575-24-2,"2,6-dichlorophenylacetic acid","(2,6-dichlorophenyl)acetic acid",OC(=O)Cc1c(Cl)cccc1Cl,OC(=O)Cc1c(Cl)cccc1Cl,"InChI=1/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6Cl2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17864,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.822,SFAILOOQFZNOAU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.824,229-506-1,9/06/6578,5-bromo-4-chloro-3-indolyl hydrogen phosphate - p-toluidine (1:1),-,Cc1ccc(N)cc1.[O-]P(=O)(O)Oc2cnc1ccc(Br)c(Cl)c12,Cc1ccc(N)cc1.[O-]P(=O)(O)Oc2cnc1ccc(Br)c(Cl)c12,"InChI=1/C8H6BrClNO4P.C7H9N/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3/p-1",C8H6BrClNO4P.C7H9N,,,,,,QEIFSLUFHRCVQL-UHFFFAOYSA-M,,,,,,,,,,,
100.026.828,229-510-3,6582-31-6,3-[[3-(dodecylamino)propyl]amino]butyric acid,3-{[3-(dodecylamino)propyl]amino}butanoic acid,CCCCCCCCCCCCNCCCNC(C)CC(=O)O,CCCCCCCCCCCCNCCCNC(C)CC(=O)O,"InChI=1/C19H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-14-20-15-13-16-21-18(2)17-19(22)23/h18,20-21H,3-17H2,1-2H3,(H,22,23)",C19H40N2O2,,,,,,KRGUCURBMCFAOW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.840,229-523-4,6589-48-6,2-cyclohexylamino-1-phenylethanol,2-(cyclohexylamino)-1-phenylethanol,OC(CNC1CCCCC1)c2ccccc2,OC(CNC1CCCCC1)c2ccccc2,"InChI=1/C14H21NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1,3-4,7-8,13-16H,2,5-6,9-11H2",C14H21NO,,,,,,ISYFTHDLBGNHQW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.841,229-525-5,6589-55-5,a-[(methylamino)methyl]benzyl alcohol,2-(methylamino)-1-phenylethanol,CNCC(O)c1ccccc1,CNCC(O)c1ccccc1,"InChI=1/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3",C9H13NO,,,,,,ZCTYHONEGJTYQV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.428,229-070-2,6408-82-8,Disodium 2-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]benzoate,disodium 2-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]benzoate,[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O,[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O,"InChI=1/C17H12N2O6S.2Na/c20-16-11-6-2-1-5-10(11)15(26(23,24)25)9-14(16)19-18-13-8-4-3-7-12(13)17(21)22;;/h1-9,20H,(H,21,22)(H,23,24,25);;/q;2*+1/p-2",C17H12N2O6S.2Na,,,,,,RLXKNVVCQQCHAX-UHFFFAOYSA-L,,,,,,,,,,,
100.026.439,229-082-8,6409-44-5,3-chloro-7H-benzo[de]anthracen-7-one,3-chloro-7H-benzo[de]anthracen-7-one,Clc1ccc2c3ccccc3C(=O)c4cccc1c24,Clc1ccc2c3ccccc3C(=O)c4cccc1c24,InChI=1/C17H9ClO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H,C17H9ClO,,,,,,QLCFFBOGHZDLGO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.440,229-083-3,6409-51-4,4-chloro-N-methyl-3-nitro-N-phenylbenzenesulphonamide,4-chloro-N-methyl-3-nitro-N-phenylbenzenesulfonamide,CN(c1ccccc1)S(=O)(=O)c2ccc(Cl)c(c2)[N+](=O)[O-],CN(c1ccccc1)S(=O)(=O)c2ccc(Cl)c(c2)[N+](=O)[O-],"InChI=1/C13H11ClN2O4S/c1-15(10-5-3-2-4-6-10)21(19,20)11-7-8-12(14)13(9-11)16(17)18/h2-9H,1H3",C13H11ClN2O4S,,,,,,ZRESUPFQMJFEHM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.442,229-085-4,6409-68-3,"1-amino-9,10-dihydro-9,10-dioxoanthracene-2-carbaldehyde 2-[(1-amino-9,10-dihydro-9,10-dioxo-2-anthryl)methylene]hydrazone","2,2'-(hydrazine-1,2-diylidenedimethylylidene)bis(1-amino-9,10-anthraquinone)",Nc1c(C=NN=Cc2ccc3C(=O)c4ccccc4C(=O)c3c2N)ccc5C(=O)c6ccccc6C(=O)c15,Nc1c(C=NN=Cc2ccc3C(=O)c4ccccc4C(=O)c3c2N)ccc5C(=O)c6ccccc6C(=O)c15,"InChI=1/C30H18N4O4/c31-25-15(9-11-21-23(25)29(37)19-7-3-1-5-17(19)27(21)35)13-33-34-14-16-10-12-22-24(26(16)32)30(38)20-8-4-2-6-18(20)28(22)36/h1-14H,31-32H2",C30H18N4O4,,,,,,UDZNMGNLRSZOOB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.447,229-091-7,6409-90-1,Disodium 5-(4-aminobenzamido)-2-[2-[4-[4-(4-aminobenzamido)benzamido]-2-sulphonatophenyl]vinyl]benzenesulphonate,disodium 5-[(4-aminobenzoyl)amino]-2-{2-[4-({4-[(4-aminobenzoyl)amino]benzoyl}amino)-2-sulfonatophenyl]vinyl}benzenesulfonate,[Na+].[Na+].Nc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc(\\C=C\\c4ccc(NC(=O)c5ccc(N)cc5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc(\C=C\c4ccc(NC(=O)c5ccc(N)cc5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-],"InChI=1/C35H29N5O9S2.2Na/c36-26-11-3-23(4-12-26)33(41)38-28-15-9-25(10-16-28)35(43)40-30-18-8-22(32(20-30)51(47,48)49)2-1-21-7-17-29(19-31(21)50(44,45)46)39-34(42)24-5-13-27(37)14-6-24;;/h1-20H,36-37H2,(H,38,41)(H,39,42)(H,40,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C35H29N5O9S2.2Na,,,,,,ZCIARVSRFJOLLB-SEPHDYHBSA-L,,,,,,,,,,,
100.026.448,229-092-2,9/09/6410,1-[(2-nitrophenyl)azo]-2-naphthol,1-[(2-nitrophenyl)diazenyl]-2-naphthol,[O-][N+](=O)c3ccccc3N=Nc1c2ccccc2ccc1O,[O-][N+](=O)c3ccccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C16H11N3O3/c20-15-10-9-11-5-1-2-6-12(11)16(15)18-17-13-7-3-4-8-14(13)19(21)22/h1-10,20H",C16H11N3O3,,,,,,YTVNZOABECTEPK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.465,221-411-3,3087-37-4,Titanium tetrapropanolate,titanium tetrapropanolate,[Ti+2].[Ti+2].CCC[O-].CCC[O-].CCC[O-].CCC[O-],[Ti+2].[Ti+2].CCC[O-].CCC[O-].CCC[O-].CCC[O-],"InChI=1/4C3H7O.2Ti/c4*1-2-3-4;;/h4*2-3H2,1H3;;/q4*-1;2*+2",C3H8O.1/4Ti,,,,,,CIFGLIWWOYEOPU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.469,221-416-0,3088-31-1,Sodium 2-(2-dodecyloxyethoxy)ethyl sulphate,sodium 2-[2-(dodecyloxy)ethoxy]ethyl sulfate,[Na+].CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C16H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1",C16H34O6S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12097,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.469,GUQPDKHHVFLXHS-UHFFFAOYSA-M,,,,,,,,,,,
100.019.476,221-423-9,3089-16-5,"4,11-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione","4,11-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione",Clc1cccc2C(=O)c3cc4Nc5c(Cl)cccc5C(=O)c4cc3Nc12,Clc1cccc2C(=O)c3cc4Nc5c(Cl)cccc5C(=O)c4cc3Nc12,"InChI=1/C20H10Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-8H,(H,23,25)(H,24,26)",C20H10Cl2N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1971,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.476,BFEJTCHFLJECJN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.478,221-426-5,3089-19-8,N-[2-(2-oxoimidazolidin-1-yl)ethyl]methacrylamide,2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acrylamide,CC(=C)C(=O)NCCN1CCNC1=O,CC(=C)C(=O)NCCN1CCNC1=O,"InChI=1/C9H15N3O2/c1-7(2)8(13)10-3-5-12-6-4-11-9(12)14/h1,3-6H2,2H3,(H,10,13)(H,11,14)",C9H15N3O2,,,,,,ZHNZXPCKMAJBQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.481,221-429-1,3089-24-5,"2,2,4-trimethylhexane-1,6-diol","2,2,4-trimethylhexane-1,6-diol",CC(CCO)CC(C)(C)CO,CC(CCO)CC(C)(C)CO,"InChI=1/C9H20O2/c1-8(4-5-10)6-9(2,3)7-11/h8,10-11H,4-7H2,1-3H3",C9H20O2,,,,,,GZZLQUBMUXEOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.483,221-431-2,3089-55-2,Benzyl octyl adipate,benzyl octyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCc1ccccc1,CCCCCCCCOC(=O)CCCCC(=O)OCc1ccccc1,"InChI=1/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3",C21H32O4,,,,,,DECACTMEFWAFRE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.484,221-432-8,3090-21-9,Bis[3-(trimethoxysilyl)propyl] maleate,bis[3-(trimethoxysilyl)propyl] but-2-enedioate,CO[Si](CCCOC(=O)\\C=C/C(=O)OCCC[Si](OC)(OC)OC)(OC)OC,CO[Si](CCCOC(=O)\C=C/C(=O)OCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3",C16H32O10Si2,,,,,,GPWPWELMLCKXRP-KTKRTIGZSA-N,,,,,,,,,,,
100.019.485,221-433-3,3090-35-5,Tributyl(oleoyloxy)stannane,tributyl(oleoyloxy)stannane,CCCCCCCC\\C=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C18H34O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC30H60O2Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(31)32-33(27-10-6-2,28-11-7-3)29-12-8-4/h18-19H,5-17,20-29H2,1-4H3",C30H60O2Sn,,,,,,VAFVPAKNJFBOFX-HKIWRJGFSA-M,,,,,,,,,,,
100.019.487,221-435-4,3091-25-6,Trichlorooctylstannane,trichloro(octyl)stannane,CCCCCCCC[Sn](Cl)(Cl)Cl,CCCCCCCC[Sn](Cl)(Cl)Cl,"InChI=1/C8H17.3ClH.Sn/c1-3-5-7-8-6-4-2;;;;/h1,3-8H2,2H3;3*1H;/q;;;;+3/p-3/rC8H17Cl3Sn/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3",C8H17Cl3Sn,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13860,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.487,INTLMJZQCBRQAT-UHFFFAOYSA-K,,,,,,,,,,,
100.019.491,221-440-1,5/09/3094,Doxifluridine,5'-deoxy-5-fluorouridine,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O,"InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)",C9H11FN2O5,,,,,,ZWAOHEXOSAUJHY-ZIYNGMLESA-N,,,,,,,,,,,
100.019.493,221-442-2,3095-65-6,Ammonium hydrogen tartrate,ammonium hydrogen tartarate,[NH4+].OC(C(O)C(=O)[O-])C(=O)[O-],[NH4+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.H3N/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H3/p-1",C4H6O6.H3N,,,,,,ZMFVLYPTTFPBNG-UHFFFAOYSA-M,,,,,,,,,,,
100.019.495,221-444-3,3095-94-1,Octylphosphonic dichloride,octylphosphonic dichloride,CCCCCCCCP(=O)(Cl)Cl,CCCCCCCCP(=O)(Cl)Cl,"InChI=1/C8H17Cl2OP/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3",C8H17Cl2OP,,,,,,RTHCRCDXILKTCY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.499,221-449-0,3096-71-7,"4-amino-2,5-xylenol","4-amino-2,5-dimethylphenol",Cc1cc(O)c(C)cc1N,Cc1cc(O)c(C)cc1N,"InChI=1/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2H3",C8H11NO,,,,,,JSWVCUXQICMATE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.127,223-238-9,1/03/3779,"2,3-dihydro-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one","9-methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one",COc1c2OCCc2cc3C=CC(=O)Oc13,COc1c2OCCc2cc3C=CC(=O)Oc13,"InChI=1/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-3,6H,4-5H2,1H3",C12H10O4,,,,,,BUNGCZLFHHXKBX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.456,218-101-5,2050-74-0,"1,8-dichloronaphthalene","1,8-dichloronaphthalene",Clc1cccc2cccc(Cl)c12,Clc1cccc2cccc(Cl)c12,InChI=1/C10H6Cl2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,C10H6Cl2,,,,,,ADRYPAGQXFMVFP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.462,218-107-8,2050-87-5,Diallyl trisulphide,diallyltrisulfane,C=CCSSSCC=C,C=CCSSSCC=C,"InChI=1/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2",C6H10S3,,,,,,UBAXRAHSPKWNCX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.852,229-537-0,6598-56-7,"Disodium 4-amino-3-[[4'-[(2-amino-6-sulphonatonaphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-1-sulphonate","disodium 4-amino-3-({4'-[(2-amino-6-sulfonato-1-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)naphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)ccc(N)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4cc(c3ccccc3c4N)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)ccc(N)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4cc(c3ccccc3c4N)S([O-])(=O)=O)c(C)c5,"InChI=1/C34H28N6O6S2.2Na/c1-19-15-21(8-13-29(19)37-39-31-18-32(48(44,45)46)26-5-3-4-6-27(26)33(31)36)22-9-14-30(20(2)16-22)38-40-34-25-11-10-24(47(41,42)43)17-23(25)7-12-28(34)35;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H28N6O6S2.2Na,,,,,,FJYCYXFOJKFVCO-UHFFFAOYSA-L,,,,,,,,,,,
100.026.856,229-541-2,8/04/6599,4-sec-butylmorpholine hydrobromide,4-sec-butylmorpholine hydrobromide,Br.CCC(C)N1CCOCC1,Br.CCC(C)N1CCOCC1,"InChI=1/C8H17NO.BrH/c1-3-8(2)9-4-6-10-7-5-9;/h8H,3-7H2,1-2H3;1H",C8H17NO.BrH,,,,,,XHFMZXJSUXFDAR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.861,229-547-5,6602-32-0,2-bromopyridin-3-ol,2-bromopyridin-3-ol,Oc1cccnc1Br,Oc1cccnc1Br,"InChI=1/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H",C5H4BrNO,,,,,,YKHQFTANTNMYPP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.865,229-551-7,6606-59-3,"1,6-hexanediyl bismethacrylate","hexane-1,6-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C,CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C,"InChI=1/C14H22O4/c1-11(2)13(15)17-9-7-5-6-8-10-18-14(16)12(3)4/h1,3,5-10H2,2,4H3",C14H22O4,,,,,,SAPGBCWOQLHKKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.872,229-559-0,6609-56-9,2-methoxybenzonitrile,2-methoxybenzonitrile,COc1ccccc1C#N,COc1ccccc1C#N,"InChI=1/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3",C8H7NO,,,,,,FSTPMFASNVISBU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.874,229-561-1,5/05/6610,Sodium 4-aminobutyrate,sodium 4-aminobutanoate,[Na+].NCCCC(=O)[O-],[Na+].NCCCC(=O)[O-],"InChI=1/C4H9NO2.Na/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);/q;+1/p-1",C4H9NO2.Na,,,,,,MJGIKHNOXNRIHX-UHFFFAOYSA-M,,,,,,,,,,,
100.028.506,231-356-7,7500-76-7,"4,4'-benzylidenedianisole","1,1'-(phenylmethylene)bis(4-methoxybenzene)",COc1ccc(cc1)C(c2ccccc2)c3ccc(OC)cc3,COc1ccc(cc1)C(c2ccccc2)c3ccc(OC)cc3,"InChI=1/C21H20O2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h3-15,21H,1-2H3",C21H20O2,,,,,,RIRAVPPUGSNYOU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.509,231-359-3,7506-53-8,"2-benzyl-5-ethyl-4-propyl-1,3-dioxane","2-benzyl-5-ethyl-4-propyl-1,3-dioxane",CCCC1OC(Cc2ccccc2)OCC1CC,CCCC1OC(Cc2ccccc2)OCC1CC,"InChI=1/C16H24O2/c1-3-8-15-14(4-2)12-17-16(18-15)11-13-9-6-5-7-10-13/h5-7,9-10,14-16H,3-4,8,11-12H2,1-2H3",C16H24O2,,,,,,GCPPYECFSKKQSM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.514,231-365-6,7508-40-9,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium bromide,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium bromide,[Br-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,[Br-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,"InChI=1/C15H16N3S.BrH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1",C15H16N3S.Br,,,,,,KEBWDGDXFDYXRL-UHFFFAOYSA-M,,,,,,,,,,,
100.026.470,229-117-7,6414-32-0,"2-(4-methoxyphenyl)-4-methyl-1,3-dioxolane","2-(4-methoxyphenyl)-4-methyl-1,3-dioxolane",COc1ccc(cc1)C2OCC(C)O2,COc1ccc(cc1)C2OCC(C)O2,"InChI=1/C11H14O3/c1-8-7-13-11(14-8)9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3",C11H14O3,,,,,,DTACWEXJFYOAKS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.472,229-119-8,9/12/6415,Tetramethylhydrazine,tetramethylhydrazine,CN(C)N(C)C,CN(C)N(C)C,InChI=1/C4H12N2/c1-5(2)6(3)4/h1-4H3,C4H12N2,,,,,,DHBZRQXIRAEMRO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.480,229-128-7,6416-59-7,"5-(o-tolylazo)toluene-2,4-diamine monohydrochloride","4-methyl-6-[(2-methylphenyl)diazenyl]benzene-1,3-diamine hydrochloride",Cl.Cc2ccccc2N=Nc1cc(C)c(N)cc1N,Cl.Cc2ccccc2N=Nc1cc(C)c(N)cc1N,"InChI=1/C14H16N4.ClH/c1-9-5-3-4-6-13(9)17-18-14-7-10(2)11(15)8-12(14)16;/h3-8H,15-16H2,1-2H3;1H",C14H16N4.ClH,,,,,,CNBDSLCBPQDKJG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.481,229-129-2,6416-66-6,"Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate","disodium 3-[(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonate",[Na+].[Na+].Clc5cc(N=Nc3c(cc2cc(cc(NS(=O)(=O)c1ccc(C)cc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(Oc4ccccc4)cc5,[Na+].[Na+].Clc5cc(N=Nc3c(cc2cc(cc(NS(=O)(=O)c1ccc(C)cc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(Oc4ccccc4)cc5,"InChI=1/C29H22ClN3O10S3.2Na/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20;;/h2-16,33-34H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C29H22ClN3O10S3.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10081,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.481,XDBZPHDFHYZHNG-UHFFFAOYSA-L,,,,,,,,,,,
100.026.487,229-136-0,6417-36-3,"Disodium 4-(benzoylamino)-6-[[4-[(ethyl-1-naphthylamino)carbonyl]phenyl]azo]-5-hydroxynaphthalene-1,7-disulphonate","disodium 4-(benzoylamino)-6-({4-[ethyl(1-naphthyl)carbamoyl]phenyl}diazenyl)-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].CCN(c2cccc1ccccc12)C(=O)c3ccc(cc3)N=Nc6c(cc5c(ccc(NC(=O)c4ccccc4)c5c6O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CCN(c2cccc1ccccc12)C(=O)c3ccc(cc3)N=Nc6c(cc5c(ccc(NC(=O)c4ccccc4)c5c6O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C36H28N4O9S2.2Na/c1-2-40(29-14-8-12-22-9-6-7-13-26(22)29)36(43)24-15-17-25(18-16-24)38-39-33-31(51(47,48)49)21-27-30(50(44,45)46)20-19-28(32(27)34(33)41)37-35(42)23-10-4-3-5-11-23;;/h3-21,41H,2H2,1H3,(H,37,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C36H28N4O9S2.2Na,,,,,,DDIPYLMBBZZKGQ-UHFFFAOYSA-L,,,,,,,,,,,
100.020.693,222-762-5,3604-90-8,"(E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohexenyl)-3,5,7,9,11,13,15,17,19-icosanonaen-2-one","5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohex-1-en-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonaen-2-one",CC=1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(C)=O,CC=1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(C)=O,"InChI=1/C33H44O/c1-26(16-11-18-28(3)21-23-31(6)34)14-9-10-15-27(2)17-12-19-29(4)22-24-32-30(5)20-13-25-33(32,7)8/h9-12,14-19,21-24H,13,20,25H2,1-8H3",C33H44O,,,,,,PRDJTOVRIHGKNU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.694,222-763-0,3604-99-7,"5,8-dichloronaphthalen-1-amine","5,8-dichloronaphthalen-1-amine",Nc1cccc2c(Cl)ccc(Cl)c12,Nc1cccc2c(Cl)ccc(Cl)c12,"InChI=1/C10H7Cl2N/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h1-5H,13H2",C10H7Cl2N,,,,,,XRUHWPCWXZKWDO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.697,222-766-7,3605-65-0,(butan-2-olato)bis(propan-2-olato)aluminium,aluminum butan-2-olate dipropan-2-olate,CCC(C)O[Al](OC(C)C)OC(C)C,CCC(C)O[Al](OC(C)C)OC(C)C,"InChI=1/C4H9O.2C3H7O.Al/c1-3-4(2)5;2*1-3(2)4;/h4H,3H2,1-2H3;2*3H,1-2H3;/q3*-1;+3/rC10H23AlO3/c1-7-10(6)14-11(12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3",C10H23AlO3,,,,,,RDASHQZXQNLNMG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.698,222-767-2,3605-81-0,1-tert-butoxy-2-methyl-3-buten-2-ol,1-tert-butoxy-2-methylbut-3-en-2-ol,CC(C)(C)OCC(C)(O)C=C,CC(C)(C)OCC(C)(O)C=C,"InChI=1/C9H18O2/c1-6-9(5,10)7-11-8(2,3)4/h6,10H,1,7H2,2-5H3",C9H18O2,,,,,,WRAUWFNNRPSRJR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.702,222-771-4,5/11/3608,Car-2-en-4-yl methyl ketone,"1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)ethanone",CC(=O)C1CC2C(C=C1C)C2(C)C,CC(=O)C1CC2C(C=C1C)C2(C)C,"InChI=1/C12H18O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h5,9-11H,6H2,1-4H3",C12H18O,,,,,,DXLORVVCLBWYCC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.705,222-775-6,3609-96-9,Dipotassium hydrogen citrate,hydrogen dipotassium citrate,[K+].[K+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[K+].[K+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.2K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-3",C6H8O7.2K,,,,,,UZLGHNUASUZUOR-UHFFFAOYSA-K,,,,,,,,,,,
100.020.707,222-777-7,3610-27-3,2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate,2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate,COCCOCCOCCOC(=O)C,COCCOCCOCCOC(=O)C,"InChI=1/C9H18O5/c1-9(10)14-8-7-13-6-5-12-4-3-11-2/h3-8H2,1-2H3",C9H18O5,,,,,,SDHQGBWMLCBNSM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.709,222-779-8,3610-42-2,5-bromo-1H-indole-3-ethylamine,2-(5-bromo-1H-indol-3-yl)ethanamine,NCCc1c[nH]c2ccc(Br)cc12,NCCc1c[nH]c2ccc(Br)cc12,"InChI=1/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2",C10H11BrN2,,,,,,CGHUQJRRADEHTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.712,219-483-6,2444-37-3,(methylthio)acetic acid,(methylsulfanyl)acetic acid,CSCC(=O)O,CSCC(=O)O,"InChI=1/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)",C3H6O2S,,,,,,HGTBAIVLETUVCG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.719,219-490-4,2445-60-5,"1,3-dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxoimidazolidine-4-one","1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxoimidazolidin-4-one",CN2CCCC2=CC=C1C(=O)N(C)C(=S)N1C,CN2CCCC2=CC=C1C(=O)N(C)C(=S)N1C,"InChI=1/C12H17N3OS/c1-13-8-4-5-9(13)6-7-10-11(16)15(3)12(17)14(10)2/h6-7H,4-5,8H2,1-3H3",C12H17N3OS,,,,,,SXRPCRZFBUCPSR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.721,219-493-0,2445-69-4,2-methylbutyl isobutyrate,2-methylbutyl 2-methylpropanoate,CCC(C)COC(=O)C(C)C,CCC(C)COC(=O)C(C)C,"InChI=1/C9H18O2/c1-5-8(4)6-11-9(10)7(2)3/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,DUAXUBMIVRZGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.724,219-496-7,2445-77-4,2-methylbutyl isovalerate,2-methylbutyl 3-methylbutanoate,CCC(C)COC(=O)CC(C)C,CCC(C)COC(=O)CC(C)C,"InChI=1/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,CYGPPWVXOWCHJB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.729,219-501-2,2446-69-7,p-hexylphenol,4-hexylphenol,CCCCCCc1ccc(O)cc1,CCCCCCc1ccc(O)cc1,"InChI=1/C12H18O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10,13H,2-6H2,1H3",C12H18O,,,,,,SZWBRVPZWJYIHI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.740,219-513-8,2450-71-7,Prop-2-ynylamine,prop-2-yn-1-amine,NCC#C,NCC#C,"InChI=1/C3H5N/c1-2-3-4/h1H,3-4H2",C3H5N,,,,,,JKANAVGODYYCQF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.743,219-516-4,2451-84-5,Dibenzyl adipate,dibenzyl adipate,O=C(CCCCC(=O)OCc1ccccc1)OCc2ccccc2,O=C(CCCCC(=O)OCc1ccccc1)OCc2ccccc2,"InChI=1/C20H22O4/c21-19(23-15-17-9-3-1-4-10-17)13-7-8-14-20(22)24-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2",C20H22O4,,,,,,AEUORZZHALJMBM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.744,219-518-5,9/01/2452,Zinc dilaurate,zinc didodecanoate,[Zn+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15015,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.744,GPYYEEJOMCKTPR-UHFFFAOYSA-L,,,,,,,,,,,
100.017.745,219-519-0,2452-14-4,Sodium 2-ethylbutyrate,sodium 2-ethylbutanoate,[Na+].CCC(CC)C(=O)[O-],[Na+].CCC(CC)C(=O)[O-],"InChI=1/C6H12O2.Na/c1-3-5(4-2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1",C6H12O2.Na,,,,,,BLSRNVDCHVKXSO-UHFFFAOYSA-M,,,,,,,,,,,
100.019.252,221-176-7,3024-71-3,Benzyldimethylnonylammonium chloride,"N-benzyl-N,N-dimethylnonan-1-aminium chloride",[Cl-].CCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C18H32N.ClH/c1-4-5-6-7-8-9-13-16-19(2,3)17-18-14-11-10-12-15-18;/h10-12,14-15H,4-9,13,16-17H2,1-3H3;1H/q+1;/p-1",C18H32N.Cl,,,,,,YCIAXEFELBZLQG-UHFFFAOYSA-M,,,,,,,,,,,
100.025.264,227-790-1,5980-33-6,4-methyl-7-sodiooxy-2H-1-benzopyran-2-one,7-hydroxy-4-methyl-2H-chromen-2-one,CC1=CC(=O)Oc2cc(O)ccc12,CC1=CC(=O)Oc2cc(O)ccc12,"InChI=1/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3",C10H8O3.Na,,,,,,HSHNITRMYYLLCV-UHFFFAOYSA-N,Positive/Negative,UF419301|UF419302|UF419303|UF419304,[M+H]+,HCD55|HCD80|CID35|CID55,177.0551:105.0702:121.0652|121.0651:103.0545:177.055|177.0551:105.0701:133.0652|105.07:133.0651:121.065,UFZ,UF419351|UF419352|UF419353|UF419354,[M-H]-,HCD55|HCD80|CID35|CID55,175.04|175.0401|175.04:131.0502|131.0503,UFZ
100.025.265,227-791-7,9/09/5981,"N,N-bis(4-aminophenyl)benzene-1,4-diamine","N,N-bis(4-aminophenyl)benzene-1,4-diamine",Nc1ccc(cc1)N(c2ccc(N)cc2)c3ccc(N)cc3,Nc1ccc(cc1)N(c2ccc(N)cc2)c3ccc(N)cc3,"InChI=1/C18H18N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2",C18H18N4,,,,,,SNLFYGIUTYKKOE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.277,227-805-1,5985-93-3,Ammonium camphorate,diammonium camphorate,[NH4+].[NH4+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-],[NH4+].[NH4+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-],"InChI=1/C10H16O4.2H3N/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14;;/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14);2*1H3",C10H16O4.H3N,,,,,,AWGMVSRVPYYILT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.280,227-808-8,5987-82-6,2-(diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride,2-(diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride,Cl.CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC,Cl.CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC,"InChI=1/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H",C17H28N2O3.ClH,,,,,,PRGUDWLMFLCODA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.286,227-815-6,5989-54-8,"(S)-p-mentha-1,8-diene",4-isopropenyl-1-methylcyclohexene,CC(=C)[C@H]1CCC(=CC1)C,CC(=C)[C@H]1CCC(=CC1)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C10H16,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10807,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.286,XMGQYMWWDOXHJM-SNVBAGLBSA-N,,,,,,,,,,,
100.025.299,227-829-2,5995-30-2,[(heptylimino)bis(methylene)]bisphosphonic acid,[(heptylimino)bis(methylene)]bis(phosphonic acid),CCCCCCCN(CP(=O)(O)O)CP(=O)(O)O,CCCCCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C9H23NO6P2/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)",C9H23NO6P2,,,,,,GIFYDPWFQBDXKA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.300,227-830-8,5995-31-3,[(octylimino)bis(methylene)]bisphosphonic acid,[(octylimino)bis(methylene)]bis(phosphonic acid),CCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O,CCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C10H25NO6P2/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17)",C10H25NO6P2,,,,,,YUABCDNZADIENZ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.330,232-262-9,7803-58-9,Sulphuric diamide,sulfamide,NS(=O)(=O)N,NS(=O)(=O)N,"InChI=1/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)",H4N2O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18217,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.330,NVBFHJWHLNUMCV-UHFFFAOYSA-N,,,,,,,,,,,
100.029.335,232-268-1,8000-41-7,Terpineol,2-(4-methylcyclohex-3-en-1-yl)propan-2-ol,CC1=CCC(CC1)C(C)(C)O,CC1=CCC(CC1)C(C)(C)O,"InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",C10H18O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16031,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.335,WUOACPNHFRMFPN-UHFFFAOYSA-N,,,,,,,,,,,
100.029.348,232-283-3,8001-35-2,Toxaphene,"1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylenebicyclo[2.2.1]heptane",ClCC1(CCl)C(=C)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl,ClCC1(CCl)C(=C)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl,"InChI=1/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2",-,,,,,,OEJNXTAZZBRGDN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.876,227-362-4,5805-76-5,1-ethyl-2-methylbenzimidazole,1-ethyl-2-methyl-1H-benzimidazole,CCn1c(C)nc2ccccc12,CCn1c(C)nc2ccccc12,"InChI=1/C10H12N2/c1-3-12-8(2)11-9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3",C10H12N2,,,,,,IPNPFISPYWNXBR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.881,227-368-7,5807-30-7,"3,4-dichlorophenylacetic acid","(3,4-dichlorophenyl)acetic acid",OC(=O)Cc1ccc(Cl)c(Cl)c1,OC(=O)Cc1ccc(Cl)c(Cl)c1,"InChI=1/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6Cl2O2,,,,,,ZOUPGSMSNQLUNW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.844,229-528-1,6591-52-2,"Ammonium bismuth(3+) 2-hydroxypropane-1,2,3-tricarboxylate(2:1:1)",-,[NH4+].[NH4+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[NH4+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Bi.2H3N.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;2*1H3;;;/q;+3;;;;;/p-1/rC6H8O7.BiH3.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3/q;+3;;/p-1",C6H8O7.Bi.2H3N,,,,,,UZRRZJVEEIAJIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.026.857,229-542-8,6600-31-3,"3,9-dicyclohex-3-enyl-2,4,8,10-tetraoxaspiro[5.5]undecane","3,9-dicyclohex-3-en-1-yl-2,4,8,10-tetraoxaspiro[5.5]undecane",C1CC(CC=C1)C2OCC3(COC(OC3)C4CCC=CC4)CO2,C1CC(CC=C1)C2OCC3(COC(OC3)C4CCC=CC4)CO2,"InChI=1/C19H28O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h1-3,5,15-18H,4,6-14H2",C19H28O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9994,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.857,WKTJXDHLMJKSGI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.858,229-543-3,6600-40-4,Norvaline,norvaline,CCCC(N)C(=O)O,CCCC(N)C(=O)O,"InChI=1/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2,,,,,,SNDPXSYFESPGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.860,229-545-4,6602-28-4,Pyridin-3-ol 1-oxide,pyridin-3-ol 1-oxide,Oc1ccc[n+]([O-])c1,Oc1ccc[n+]([O-])c1,"InChI=1/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H",C5H5NO2,,,,,,YMEZKRMAPQIBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.863,229-549-6,6602-34-2,"2,4,6-tribromopyridin-3-ol","2,4,6-tribromopyridin-3-ol",Oc1c(Br)cc(Br)nc1Br,Oc1c(Br)cc(Br)nc1Br,"InChI=1/C5H2Br3NO/c6-2-1-3(7)9-5(8)4(2)10/h1,10H",C5H2Br3NO,,,,,,CJJDOBAYAHWINI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.464,218-109-9,2050-95-5,Diisopentyl carbonate,bis(3-methylbutyl) carbonate,CC(C)CCOC(=O)OCCC(C)C,CC(C)CCOC(=O)OCCC(C)C,"InChI=1/C11H22O3/c1-9(2)5-7-13-11(12)14-8-6-10(3)4/h9-10H,5-8H2,1-4H3",C11H22O3,,,,,,DWWPOAYNAWHBKI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.467,218-113-0,9/04/2051,Diisopentyl disulphide,"1,1'-disulfanediylbis(3-methylbutane)",CC(C)CCSSCCC(C)C,CC(C)CCSSCCC(C)C,"InChI=1/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3",C10H22S2,,,,,,MPYGLNNTOXLWOB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.468,218-114-6,2051-18-5,7-chloro-p-cymene,1-(chloromethyl)-4-isopropylbenzene,CC(C)c1ccc(CCl)cc1,CC(C)c1ccc(CCl)cc1,"InChI=1/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3",C10H13Cl,,,,,,CYAKWEQUWJAHLW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.478,218-125-6,2051-60-7,2-chlorobiphenyl,2-chlorobiphenyl,Clc1ccccc1c2ccccc2,Clc1ccccc1c2ccccc2,InChI=1/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,C12H9Cl,,,,,,LAXBNTIAOJWAOP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.483,218-130-3,2051-79-8,"N5,N5-diethyltoluene-2,5-diamine monohydrochloride","N~4~,N~4~-diethyl-2-methylbenzene-1,4-diamine hydrochloride",Cl.CCN(CC)c1ccc(N)c(C)c1,Cl.CCN(CC)c1ccc(N)c(C)c1,"InChI=1/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H",C11H18N2.ClH,,,,,,MPLZNPZPPXERDA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.488,218-136-6,2051-96-9,Benzyl lactate,benzyl 2-hydroxypropanoate,CC(O)C(=O)OCc1ccccc1,CC(O)C(=O)OCc1ccccc1,"InChI=1/C10H12O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3",C10H12O3,,,,,,ZYTLPUIDJRKAAM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.491,218-139-2,9/01/2052,2-bromo-2-methylpropionic acid,2-bromo-2-methylpropanoic acid,CC(C)(Br)C(=O)O,CC(C)(Br)C(=O)O,"InChI=1/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)",C4H7BrO2,,,,,,XXSPGBOGLXKMDU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.492,218-140-8,4/06/2052,"p-N,Nddiethylaniline","4-bromo-N,N-diethylaniline",CCN(CC)c1ccc(Br)cc1,CCN(CC)c1ccc(Br)cc1,"InChI=1/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3",C10H14BrN,,,,,,NGYMZFJVHHKJQR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.498,218-147-6,2052-49-5,Tetrabutylammonium hydroxide,"N,N,N-tributylbutan-1-aminium hydroxide",[OH-].CCCC[N+](CCCC)(CCCC)CCCC,[OH-].CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1",C16H36N.HO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19067,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.498,VDZOOKBUILJEDG-UHFFFAOYSA-M,,,,,,,,,,,
100.018.003,219-802-9,2536-99-4,Cytidylyl-(3'<U+2192>5')-cytidine,-,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(CO)OC(C3O)N4C=CC(=NC4=O)N)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(CO)OC(C3O)N4C=CC(=NC4=O)N)C(O)C2O,"InChI=1/C18H25N6O12P/c19-9-1-3-23(17(29)21-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-25)34-16(13(14)28)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H2,19,21,29)(H2,20,22,30)",C18H25N6O12P,,,,,,PTLMIIUMLITBQT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.871,221-857-9,3258-51-3,Valofane,3-allyl-N-carbamoyl-5-methyl-2-oxotetrahydrofuran-3-carboxamide,CC1CC(CC=C)(C(=O)NC(=O)N)C(=O)O1,CC1CC(CC=C)(C(=O)NC(=O)N)C(=O)O1,"InChI=1/C10H14N2O4/c1-3-4-10(7(13)12-9(11)15)5-6(2)16-8(10)14/h3,6H,1,4-5H2,2H3,(H3,11,12,13,15)",C10H14N2O4,,,,,,LVJAHKSVOQLCEV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.872,221-858-4,3258-74-0,Disodium 6-hydroxy-5-[[2-hydroxy-3-[(2-hydroxynaphthyl)azo]-5-sulphonatophenyl]azo]naphthalene-2-sulphonate,disodium 6-hydroxy-5-({2-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]-5-sulfonatophenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].Oc3c(cc(cc3N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc4c5ccccc5ccc4O,[Na+].[Na+].Oc3c(cc(cc3N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc4c5ccccc5ccc4O,"InChI=1/C26H18N4O9S2.2Na/c31-22-9-5-14-3-1-2-4-18(14)24(22)29-27-20-12-17(41(37,38)39)13-21(26(20)33)28-30-25-19-8-7-16(40(34,35)36)11-15(19)6-10-23(25)32;;/h1-13,31-33H,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C26H18N4O9S2.2Na,,,,,,VXQDQJNUUKARQY-UHFFFAOYSA-L,,,,,,,,,,,
100.022.502,224-751-0,4475-72-3,"3,3,6,6-tetramethyl-1,2,4,5-tetrathiane","3,3,6,6-tetramethyl-1,2,4,5-tetrathiane",CC1(C)SSC(C)(C)SS1,CC1(C)SSC(C)(C)SS1,"InChI=1/C6H12S4/c1-5(2)7-9-6(3,4)10-8-5/h1-4H3",C6H12S4,,,,,,UYBPFKOKBLMDPV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.505,224-754-7,4/04/4476,Cadmium sebacate,cadmium sebacate,[Cd+2].[O-]C(=O)CCCCCCCCC(=O)[O-],[Cd+2].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/C10H18O4.Cd/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H,11,12)(H,13,14);/q;+2/p-2",C10H18O4.Cd,,,,,,RZWJZOSULLMIQH-UHFFFAOYSA-L,,,,,,,,,,,
100.022.510,224-759-4,4478-76-6,"Sodium 4-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinolin-6-yl)amino]toluene-3-sulphonate","sodium 5-methyl-2-[(3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]benzenesulfonate",[Na+].CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)[O-])ccc1c24,[Na+].CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)[O-])ccc1c24,"InChI=1/C24H18N2O5S.Na/c1-13-7-8-17(20(11-13)32(29,30)31)25-18-9-10-19-22-16(12-21(27)26(19)2)14-5-3-4-6-15(14)24(28)23(18)22;/h3-12,25H,1-2H3,(H,29,30,31);/q;+1/p-1",C24H18N2O5S.Na,,,,,,RNTNZRPCYDDMIA-UHFFFAOYSA-M,,,,,,,,,,,
100.026.493,229-142-3,6417-83-0,Calcium 3-hydroxy-4-[(1-sulphonato-2-naphthyl)azo]-2-naphthoate,calcium 3-hydroxy-4-[(1-sulfonato-2-naphthyl)diazenyl]-2-naphthoate,[Ca+2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Ca+2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C21H14N2O6S.Ca/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);/q;+2/p-2",C21H14N2O6S.Ca,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16333,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.493,OVHKKOQGPOYPLY-UHFFFAOYSA-L,,,,,,,,,,,
100.026.499,229-149-1,7/03/6420,"Disodium 5-[[4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-[(3,3'-dimethyl-4'-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-4-yl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=NC4C(\\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(C)c5,[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=NC4C(\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(C)c5,"InChI=1/C31H26N6O7S.2Na/c1-17-14-20(4-11-26(17)33-32-22-6-13-28(38)25(16-22)31(40)41)21-5-12-27(18(2)15-21)34-35-29-19(3)36-37(30(29)39)23-7-9-24(10-8-23)45(42,43)44;;/h4-16,29,38H,1-3H3,(H,40,41)(H,42,43,44);;/q;2*+1/p-2",C31H26N6O7S.2Na,,,,,,PNPXOULPRKFFQJ-UHFFFAOYSA-L,,,,,,,,,,,
100.028.127,230-939-3,7378-99-6,Dimethyl(octyl)amine,"N,N-dimethyloctan-1-amine",CCCCCCCCN(C)C,CCCCCCCCN(C)C,"InChI=1/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3",C10H23N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13211,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.127,UQKAOOAFEFCDGT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.131,230-944-0,7379-28-4,"Sodium N,N'-ethane-1,2-diylbis[N-(carboxymethyl)glycinate",sodium [{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]acetate,OC(=O)CN(CCN(CC(=O)O)CC(=O)O[Na])CC(=O)O,OC(=O)CN(CCN(CC(=O)O)CC(=O)O[Na])CC(=O)O,"InChI=1/C10H16N2O8.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+1/p-1",C10H16N2O8.xNa,,,,,,HLWRUJAIJJEZDL-UHFFFAOYSA-M,,,,,,,,,,,
100.025.304,227-835-5,5995-96-0,"Salicylic acid, compound with (4aS-cis)-2,3,4,4a,9,9a-hexahydro-2,4a,9-trimethyl-1,2-oxazino[6,5-b]indol-6-yl methylcarbamate (1:1)","2-hydroxybenzoic acid - 2,4a,9-trimethyl-2,3,4,4a,9,9a-hexahydro[1,2]oxazino[6,5-b]indol-6-yl methylcarbamate (1:1)",CNC(=O)Oc1ccc2N(C)[C@H]3ON(C)CC[C@@]3(C)c2c1.OC(=O)c4ccccc4O,CNC(=O)Oc1ccc2N(C)[C@H]3ON(C)CC[C@@]3(C)c2c1.OC(=O)c4ccccc4O,"InChI=1/C15H21N3O3.C7H6O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)",C15H21N3O3.C7H6O3,,,,,,ANZYOGDQEPQZOI-SLHAJLBXSA-N,,,,,,,,,,,
100.025.307,227-838-1,5996-22-5,Calcium L-glutamate (1:2),calcium L-glutamate (1:2),[CaH2].N[C@@H](CCC(=O)[O-])C(=O)[O-].N[C@@H](CCC(=O)[O-])C(=O)[O-],[CaH2].N[C@@H](CCC(=O)[O-])C(=O)[O-].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/2C5H9NO4.Ca.2H/c2*6-3(5(9)10)1-2-4(7)8;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;;/q;;+2;;/p-4/r2C5H9NO4.CaH2/c2*6-3(5(9)10)1-2-4(7)8;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);1H2/q;;+2/p-4",C5H9NO4.1/2Ca,,,,,,ZKUDDWCZGPUNQH-MINUCSRNSA-J,,,,,,,,,,,
100.025.309,227-840-2,4/08/6000,5-hydroxy-DL-lysine,5-hydroxy-L-lysine,NCC(O)CC[C@H](N)C(=O)O,NCC(O)CC[C@H](N)C(=O)O,"InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)",C6H14N2O3,,,,,,YSMODUONRAFBET-AKGZTFGVSA-N,,,,,,,,,,,
100.025.310,227-841-8,6000-43-7,Glycine hydrochloride,glycine hydrochloride,Cl.NCC(=O)O,Cl.NCC(=O)O,"InChI=1/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);1H",C2H5NO2.ClH,,,,,,IVLXQGJVBGMLRR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.323,227-855-4,6006-65-1,"1,1-dipropoxytrimethylamine","N,N-dimethyl-1,1-dipropoxymethanamine",CCCOC(OCCC)N(C)C,CCCOC(OCCC)N(C)C,"InChI=1/C9H21NO2/c1-5-7-11-9(10(3)4)12-8-6-2/h9H,5-8H2,1-4H3",C9H21NO2,,,,,,NSLGQFIDCADTAS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.327,227-860-1,6007-78-9,a-oxothiophen-2-acetonitrile,oxo(2-thienyl)acetonitrile,O=C(C#N)c1cccs1,O=C(C#N)c1cccs1,InChI=1/C6H3NOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,C6H3NOS,,,,,,IAKIUSDGUNAGEL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.328,227-861-7,6008-36-2,1-phenylnonan-1-one,1-phenylnonan-1-one,CCCCCCCCC(=O)c1ccccc1,CCCCCCCCC(=O)c1ccccc1,"InChI=1/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3",C15H22O,,,,,,PFUPABFCHVRLLY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.331,227-864-3,5/10/6011,"N-phenyl-1,3,5-triazine-2,4-diaminemonohydrochloride","N-phenyl-1,3,5-triazine-2,4-diamine",Nc1ncnc(Nc2ccccc2)n1,Nc1ncnc(Nc2ccccc2)n1,"InChI=1/C9H9N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-6H,(H3,10,11,12,13,14)",C9H9N5.ClH,,,,,,YMFGJWGABDOFID-UHFFFAOYSA-N,,,,,,,,,,,
100.025.332,227-865-9,6011-14-9,Aminoacetonitrile hydrochloride,aminoacetonitrile hydrochloride,Cl.NCC#N,Cl.NCC#N,"InChI=1/C2H4N2.ClH/c3-1-2-4;/h1,3H2;1H",C2H4N2.ClH,,,,,,XFKYKTBPRBZDFG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.333,227-866-4,6012-97-1,Tetrachlorothiophene,tetrachlorothiophene,Clc1sc(Cl)c(Cl)c1Cl,Clc1sc(Cl)c(Cl)c1Cl,InChI=1/C4Cl4S/c5-1-2(6)4(8)9-3(1)7,C4Cl4S,,,,,,WZXXZHONLFRKGG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.255,221-179-3,3025-41-0,"2,2'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}imino)diethanol",Clc2cc(ccc2N=Nc1ccc(cc1)N(CCO)CCO)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C16H17ClN4O4/c17-15-11-14(21(24)25)5-6-16(15)19-18-12-1-3-13(4-2-12)20(7-9-22)8-10-23/h1-6,11,22-23H,7-10H2",C16H17ClN4O4,,,,,,JIPUSMUWJRCMRR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.259,221-184-0,3025-88-5,"2,5-dimethylhexane 2,5-dihydroperoxide","2,5-dimethylhexane-2,5-diyl dihydroperoxide",CC(C)(CCC(C)(C)OO)OO,CC(C)(CCC(C)(C)OO)OO,"InChI=1/C8H18O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,5-6H2,1-4H3",C8H18O4,,,,,,JGBAASVQPMTVHO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.463,217-009-2,1719-83-1,"Bicyclo[2.2.2]oct-7-ene-2,3:5,6-tetracarboxylic dianhydride","hexahydro-1H,3H-4,8-ethenobenzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone",O=C1OC(=O)C2C3C=CC(C4C3C(=O)OC4=O)C12,O=C1OC(=O)C2C3C=CC(C4C3C(=O)OC4=O)C12,InChI=1/C12H8O6/c13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16/h1-8H,C12H8O6,,,,,,XLOGCGOPKPCECW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.467,217-013-4,1721-26-2,Ethyl 2-methylnicotinate,ethyl 2-methylnicotinate,CCOC(=O)c1cccnc1C,CCOC(=O)c1cccnc1C,"InChI=1/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3",C9H11NO2,,,,,,TZORNSWZUZDUCU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.473,217-020-2,1722-12-9,2-chloropyrimidine,2-chloropyrimidine,Clc1ncccn1,Clc1ncccn1,InChI=1/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H,C4H3ClN2,,,,,,UNCQVRBWJWWJBF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.477,217-024-4,1723-00-8,(R)-piperidine-2-carboxylic acid,piperidine-2-carboxylic acid,OC(=O)[C@H]1CCCCN1,OC(=O)[C@H]1CCCCN1,"InChI=1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)",C6H11NO2,,,,,,HXEACLLIILLPRG-RXMQYKEDSA-N,,,,,,,,,,,
100.015.487,217-035-4,1725-82-2,3-iodo-2-propynol,3-iodoprop-2-yn-1-ol,OCC#CI,OCC#CI,"InChI=1/C3H3IO/c4-2-1-3-5/h5H,3H2",C3H3IO,,,,,,JYQJMGROXSSXDR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.489,217-038-0,1726-23-4,"Tributyl benzene-1,2,4-tricarboxylate","tributyl benzene-1,2,4-tricarboxylate",CCCCOC(=O)c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC,CCCCOC(=O)c1ccc(C(=O)OCCCC)c(c1)C(=O)OCCCC,"InChI=1/C21H30O6/c1-4-7-12-25-19(22)16-10-11-17(20(23)26-13-8-5-2)18(15-16)21(24)27-14-9-6-3/h10-11,15H,4-9,12-14H2,1-3H3",C21H30O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17375,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.489,RJIFVNWOLLIBJV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.491,217-040-1,1726-66-5,Tridecylaluminium,tris(decyl)aluminum,CCCCCCCCCC[Al](CCCCCCCCCC)CCCCCCCCCC,CCCCCCCCCC[Al](CCCCCCCCCC)CCCCCCCCCC,"InChI=1/3C10H21.Al/c3*1-3-5-7-9-10-8-6-4-2;/h3*1,3-10H2,2H3;/rC30H63Al/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3",C30H63Al,,,,,,USJZIJNMRRNDPO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.494,217-043-8,1728-46-7,2-tert-butylcyclohexanone,2-tert-butylcyclohexanone,CC(C)(C)C1CCCCC1=O,CC(C)(C)C1CCCCC1=O,"InChI=1/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3",C10H18O,,,,,,ZRYDPLOWJSFQAE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.496,217-045-9,1729-99-3,8-bromo-1-naphthoic acid,8-bromo-1-naphthoic acid,OC(=O)c1cccc2cccc(Br)c12,OC(=O)c1cccc2cccc(Br)c12,"InChI=1/C11H7BrO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6H,(H,13,14)",C11H7BrO2,,,,,,DMEZDDHJCUHENA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.498,217-048-5,1730-37-6,1-methylfluorene,1-methyl-9H-fluorene,Cc1cccc2c1Cc3ccccc23,Cc1cccc2c1Cc3ccccc23,"InChI=1/C14H12/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-14(10)13/h2-8H,9H2,1H3",C14H12,,,,,,GKEUODMJRFDLJY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.627,217-189-2,1769-24-0,2-methylquinazolin-4(1H)-one,2-methylquinazolin-4(1H)-one,CC1=NC(=O)c2ccccc2N1,CC1=NC(=O)c2ccccc2N1,"InChI=1/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)",C9H8N2O,,,,,,FIEYHAAMDAPVCH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.628,217-190-8,1769-41-1,2-(hydroxyimino)-N-phenylacetamide,2-(hydroxyimino)-N-phenylacetamide,O=C(Nc1ccccc1)C=NO,O=C(Nc1ccccc1)C=NO,"InChI=1/C8H8N2O2/c11-8(6-9-12)10-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)",C8H8N2O2,,,,,,UFNDNNCDEFJCHU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.631,217-193-4,1771-03-5,"Tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one","5-propyl-1,3,5-triazinan-2-one",CCCN1CNC(=O)NC1,CCCN1CNC(=O)NC1,"InChI=1/C6H13N3O/c1-2-3-9-4-7-6(10)8-5-9/h2-5H2,1H3,(H2,7,8,10)",C6H13N3O,,,,,,DOKOLURCKPWOMU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.633,217-196-0,1771-19-3,3-methoxy-10H-phenothiazine,3-methoxy-10H-phenothiazine,COc1ccc2Nc3ccccc3Sc2c1,COc1ccc2Nc3ccccc3Sc2c1,"InChI=1/C13H11NOS/c1-15-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14-11/h2-8,14H,1H3",C13H11NOS,,,,,,NKRGJNZQQYCJHD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.636,217-199-7,1772-25-4,"Hexane-1,3,6-tricarbonitrile","hexane-1,3,6-tricarbonitrile",N#CCCCC(CCC#N)C#N,N#CCCCC(CCC#N)C#N,"InChI=1/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2",C9H11N3,,,,,,LNLFLMCWDHZINJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.868,229-554-3,6607-34-7,"2,3,7,8-tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione","3,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione",O=C1OCCOCCOC(=O)c2ccccc12,O=C1OCCOCCOC(=O)c2ccccc12,"InChI=1/C12H12O5/c13-11-9-3-1-2-4-10(9)12(14)17-8-6-15-5-7-16-11/h1-4H,5-8H2",C10H16O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6710,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.868,LZEGUDFMCKJMPX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.869,229-555-9,6607-66-5,4-methoxybutan-2-one-dimethylacetal,"1,3,3-trimethoxybutane",COCCC(C)(OC)OC,COCCC(C)(OC)OC,"InChI=1/C7H16O3/c1-7(9-3,10-4)5-6-8-2/h5-6H2,1-4H3",C7H16O3,,,,,,DIQSNTFKLAYVOT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.501,231-350-4,7497-97-4,"1-acetyl-3-[(2,3,4,6-tetra-O-acetyl-ß-D-glucopyranosyl)oxy]-1H-indole","1-acetyl-1H-indol-3-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside",CC(=O)OC[C@H]1O[C@@H](Oc2cn(C(=O)C)c3ccccc23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@@H](Oc2cn(C(=O)C)c3ccccc23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C24H27NO11/c1-12(26)25-10-19(17-8-6-7-9-18(17)25)35-24-23(34-16(5)30)22(33-15(4)29)21(32-14(3)28)20(36-24)11-31-13(2)27/h6-10,20-24H,11H2,1-5H3",C24H27NO11,,,,,,FCZMTVYNFKUPIF-GNADVCDUSA-N,,,,,,,,,,,
100.028.502,231-352-5,7498-57-9,2-naphthylacetonitrile,2-naphthylacetonitrile,N#CCc1ccc2ccccc2c1,N#CCc1ccc2ccccc2c1,"InChI=1/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2",C12H9N,,,,,,LPCWDVLDJVZIHA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.505,231-355-1,7500-53-0,o-phenylenediacetic acid,"2,2'-(1,2-phenylene)diacetic acid",OC(=O)Cc1ccccc1CC(=O)O,OC(=O)Cc1ccccc1CC(=O)O,"InChI=1/C10H10O4/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",C10H10O4,,,,,,MMEDJBFVJUFIDD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.510,231-360-9,7506-66-3,cis-hexahydrophthalimide,"hexahydro-1H-isoindole-1,3(2H)-dione",O=C1NC(=O)[C@H]2CCCC[C@@H]12,O=C1NC(=O)[C@H]2CCCC[C@@H]12,"InChI=1/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)",C8H11NO2,,,,,,WLDMPODMCFGWAA-OLQVQODUSA-N,,,,,,,,,,,
100.028.511,231-361-4,7506-80-1,2-hydroxyethyl 2-hydroxyethyl-carbamate,2-hydroxyethyl (2-hydroxyethyl)carbamate,OCCNC(=O)OCCO,OCCNC(=O)OCCO,"InChI=1/C5H11NO4/c7-2-1-6-5(9)10-4-3-8/h7-8H,1-4H2,(H,6,9)",C5H11NO4,,,,,,RUJZRPIQXVTWCD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.465,229-111-4,6411-56-9,"1-(2,5-disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid","1-(2,5-disulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1)c2cc(ccc2S(=O)(=O)O)S(=O)(=O)O,OC(=O)C1=NN(C(=O)C1)c2cc(ccc2S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8N2O9S2/c13-9-4-6(10(14)15)11-12(9)7-3-5(22(16,17)18)1-2-8(7)23(19,20)21/h1-3H,4H2,(H,14,15)(H,16,17,18)(H,19,20,21)",C10H8N2O9S2,,,,,,ULKCUTGVHUHOEK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.467,229-114-0,1/10/6413,"Ethyl 2-methyl-1,3-dioxolane-2-acetate","ethyl (2-methyl-1,3-dioxolan-2-yl)acetate",CCOC(=O)CC1(C)OCCO1,CCOC(=O)CC1(C)OCCO1,"InChI=1/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3",C8H14O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9998,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.467,XWEOGMYZFCHQNT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.473,229-120-3,6415-90-3,Atropine hydrobromide,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate hydrobromide,Br.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,Br.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,"InChI=1/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H",C17H23NO3.BrH,,,,,,VZDNSFSBCMCXSK-RIMUKSHESA-N,,,,,,,,,,,
100.026.483,229-131-3,6416-68-8,"Sodium 4-(2H-naphtho[1,2-d]triazol-2-yl)stilbene-2-sulphonate","sodium 5-(2H-naphtho[1,2-d][1,2,3]triazol-2-yl)-2-(2-phenylvinyl)benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(ccc1\\C=C\\c2ccccc2)n3nc4ccc5ccccc5c4n3,[Na+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c2ccccc2)n3nc4ccc5ccccc5c4n3,"InChI=1/C24H17N3O3S.Na/c28-31(29,30)23-16-20(14-12-19(23)11-10-17-6-2-1-3-7-17)27-25-22-15-13-18-8-4-5-9-21(18)24(22)26-27;/h1-16H,(H,28,29,30);/q;+1/p-1",C24H17N3O3S.Na,,,,,,PCNRQYHSJVEIGH-ASTDGNLGSA-M,,,,,,,,,,,
100.026.491,229-140-2,6417-50-1,"N,N'-bis[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]terephthaldiamide","N,N'-bis[5-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]terephthalamide",O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccc(cc4)C(=O)Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)cccc3C(=O)c12)c9ccccc9,O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccc(cc4)C(=O)Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)cccc3C(=O)c12)c9ccccc9,"InChI=1/C50H30N4O8/c55-43-33-17-9-21-37(41(33)45(57)31-15-7-19-35(39(31)43)51-47(59)27-11-3-1-4-12-27)53-49(61)29-23-25-30(26-24-29)50(62)54-38-22-10-18-34-42(38)46(58)32-16-8-20-36(40(32)44(34)56)52-48(60)28-13-5-2-6-14-28/h1-26H,(H,51,59)(H,52,60)(H,53,61)(H,54,62)",C50H30N4O8,,,,,,KGZMABLDPNAGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.308,227-839-7,2/06/6000,"1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-ethanoisobenzofuran-8-carboxylic acid","1,3-dioxo-1,3,3a,4,7,7a-hexahydro-4,7-ethano-2-benzofuran-8-carboxylic acid",OC(=O)C1CC2C=CC1C3C2C(=O)OC3=O,OC(=O)C1CC2C=CC1C3C2C(=O)OC3=O,"InChI=1/C11H10O5/c12-9(13)6-3-4-1-2-5(6)8-7(4)10(14)16-11(8)15/h1-2,4-8H,3H2,(H,12,13)",C11H10O5,,,,,,VJLYGVPKNHTZKM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.511,224-761-5,4480-83-5,"1,4-dioxane-2,6-dione","1,4-dioxane-2,6-dione",O=C1COCC(=O)O1,O=C1COCC(=O)O1,InChI=1/C4H4O4/c5-3-1-7-2-4(6)8-3/h1-2H2,C4H4O4,,,,,,PIYNUZCGMLCXKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.513,224-763-6,4481-78-1,1-oxaspiro[5.5]undecan-2-one,1-oxaspiro[5.5]undecan-2-one,O=C1CCCC2(CCCCC2)O1,O=C1CCCC2(CCCCC2)O1,InChI=1/C10H16O2/c11-9-5-4-8-10(12-9)6-2-1-3-7-10/h1-8H2,C10H16O2,,,,,,KRSNUDOGPSONQI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.519,224-769-9,4484-72-4,Trichloro(dodecyl)silane,trichloro(dodecyl)silane,CCCCCCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C12H25Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3",C12H25Cl3Si,,,,,,BNCXNUWGWUZTCN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.520,224-770-4,4485-09-0,Nonan-4-one,nonan-4-one,CCCCCC(=O)CCC,CCCCCC(=O)CCC,"InChI=1/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3",C9H18O,,,,,,TYBCSQFBSWACAA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.521,224-772-5,5/12/4485,Lithium stearate,lithium stearate,[Li+].CCCCCCCCCCCCCCCCCC(=O)[O-],[Li+].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",C18H36O2.Li,,,,,,HGPXWXLYXNVULB-UHFFFAOYSA-M,,,,,,,,,,,
100.022.522,224-773-0,9/05/4486,"[4-[[4-(dimethylamino)phenyl]imino]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-(4-{[4-(dimethylamino)phenyl]imino}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)\\N=C\\2/C=C\\C(/C=C/2)=[N+](/C)C,[Cl-].CN(C)c1ccc(cc1)\N=C\2/C=C\C(/C=C/2)=[N+](/C)C,"InChI=1/C16H20N3.ClH/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4;/h5-12H,1-4H3;1H/q+1;/p-1",C16H20N3.Cl,,,,,,IVNALXNJOCZGMK-UHFFFAOYSA-M,,,,,,,,,,,
100.022.525,224-776-7,4487-30-3,(2-methoxy-1-naphthyl) [4-(p-methoxyphenyl)-2-pyrazolin-5-yl] ketone,"(2-methoxy-1-naphthyl)[4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]methanone",COc1ccc(cc1)C2C=NNC2C(=O)c3c(OC)ccc4ccccc34,COc1ccc(cc1)C2C=NNC2C(=O)c3c(OC)ccc4ccccc34,"InChI=1/C22H20N2O3/c1-26-16-10-7-15(8-11-16)18-13-23-24-21(18)22(25)20-17-6-4-3-5-14(17)9-12-19(20)27-2/h3-13,18,21,24H,1-2H3",C22H20N2O3,,,,,,IBXNPYQHXAZLFV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.526,224-777-2,4487-59-6,2-bromo-5-nitropyridine,2-bromo-5-nitropyridine,[O-][N+](=O)c1ccc(Br)nc1,[O-][N+](=O)c1ccc(Br)nc1,InChI=1/C5H3BrN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,C5H3BrN2O2,,,,,,HUUFTVUBFFESEN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.527,224-778-8,4488-57-7,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",C1CC2CC1C3CC=CC23,C1CC2CC1C3CC=CC23,"InChI=1/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7-10H,3-6H2",C10H14,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12608,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.527,HANKSFAYJLDDKP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.530,224-781-4,4489-22-9,4-bromo-a-ethylbenzyl alcohol,1-(4-bromophenyl)propan-1-ol,CCC(O)c1ccc(Br)cc1,CCC(O)c1ccc(Br)cc1,"InChI=1/C9H11BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3",C9H11BrO,,,,,,QLMFTKHAIDWIDC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.531,224-783-5,2/10/4490,"1-chloro-3,7-dimethylocta-2,6-diene","1-chloro-3,7-dimethylocta-2,6-diene",C\\C(C)=C\\CCC(C)=CCCl,C\C(C)=C\CCC(C)=CCCl,"InChI=1/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3",C10H17Cl,,,,,,WLAUCMCTKPXDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.533,224-785-6,4492-79-9,Tris(2-hydroxyethyl)ammonium hexadecyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium hexadecyl sulfate",CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C16H34O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;8-4-1-7(2-5-9)3-6-10/h2-16H2,1H3,(H,17,18,19);8-10H,1-6H2",C16H34O4S.C6H15NO3,,,,,,UUVOKWOMCSTLLR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.537,224-789-8,4496-47-3,"N-[4-(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-2-amine","N-[4-(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-2-amine",CC(C)(C)CC(C)(C)c1ccc(Nc2ccc3ccccc3c2)cc1,CC(C)(C)CC(C)(C)c1ccc(Nc2ccc3ccccc3c2)cc1,"InChI=1/C24H29N/c1-23(2,3)17-24(4,5)20-11-14-21(15-12-20)25-22-13-10-18-8-6-7-9-19(18)16-22/h6-16,25H,17H2,1-5H3",C24H29N,,,,,,FRMDQIFINGQFGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.845,217-429-6,1847-46-7,[(2-aminoethyl)amino]lithium,lithium (2-aminoethyl)azanide,[Li]NCCN,[Li]NCCN,"InChI=1/C2H7N2.Li/c3-1-2-4;/h3H,1-2,4H2;/q-1;+1/rC2H7LiN2/c3-5-2-1-4/h5H,1-2,4H2",C2H8N2.Li,,,,,,CXZAJSLSSDNDHX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.846,217-430-1,1847-55-8,Sodium (Z)-octadec-9-enyl sulphate,sodium octadec-9-en-1-yl sulfate,[Na+].CCCCCCCC\\C=C/CCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCCOS(=O)(=O)[O-],"InChI=1/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1",C18H36O4S.Na,,,,,,MWZFQMUXPSUDJQ-KVVVOXFISA-M,,,,,,,,,,,
100.015.852,217-436-4,1849-36-1,4-nitrobenzenethiol,4-nitrobenzenethiol,[O-][N+](=O)c1ccc(S)cc1,[O-][N+](=O)c1ccc(S)cc1,"InChI=1/C6H5NO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H",C6H5NO2S,,,,,,AXBVSRMHOPMXBA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.853,217-438-5,1850-14-2,Tetramethyl orthocarbonate,tetramethoxymethane,COC(OC)(OC)OC,COC(OC)(OC)OC,"InChI=1/C5H12O4/c1-6-5(7-2,8-3)9-4/h1-4H3",C5H12O4,,,,,,AHJWSRRHTXRLAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.343,227-877-4,6022-22-6,"Disodium 4,4'-diamino-9,9',10,10'-tetrahydro-9,9',10,10'-tetraoxo[1,1'-bianthracene]-3,3'-disulphonate","disodium 4,4'-diamino-9,9',10,10'-tetraoxo-9,9',10,10'-tetrahydro-1,1'-bianthracene-3,3'-disulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])c4cc(c(N)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])c4cc(c(N)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)[O-],"InChI=1/C28H16N2O10S2.2Na/c29-23-17(41(35,36)37)9-15(19-21(23)27(33)13-7-3-1-5-11(13)25(19)31)16-10-18(42(38,39)40)24(30)22-20(16)26(32)12-6-2-4-8-14(12)28(22)34;;/h1-10H,29-30H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C28H16N2O10S2.2Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6292,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.343,OKHQKAVALRCESS-UHFFFAOYSA-L,,,,,,,,,,,
100.025.347,227-882-1,7/08/6025,"6-heptyl-1,3,5-triazine-2,4-diamine","6-heptyl-1,3,5-triazine-2,4-diamine",CCCCCCCc1nc(N)nc(N)n1,CCCCCCCc1nc(N)nc(N)n1,"InChI=1/C10H19N5/c1-2-3-4-5-6-7-8-13-9(11)15-10(12)14-8/h2-7H2,1H3,(H4,11,12,13,14,15)",C10H19N5,,,,,,JWFQDKBDSOOWTB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.890,227-378-1,5813-64-9,Neopentylamine,"2,2-dimethylpropan-1-amine",CC(C)(C)CN,CC(C)(C)CN,"InChI=1/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3",C5H13N,,,,,,XDIAMRVROCPPBK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.891,227-379-7,5813-86-5,3-methoxybenzamide,3-methoxybenzamide,COc1cccc(c1)C(=O)N,COc1cccc(c1)C(=O)N,"InChI=1/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)",C8H9NO2,,,,,,VKPLPDIMEREJJF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.894,227-382-3,5814-85-7,"1,2-diphenylpropane","1,1'-propane-1,2-diyldibenzene",CC(Cc1ccccc1)c2ccccc2,CC(Cc1ccccc1)c2ccccc2,"InChI=1/C15H16/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3",C15H16,,,,,,XLWCIHPMASUXPI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.897,227-386-5,5815-94-1,5-[(5-chloro-2-hydroxyphenyl)azo]quinolin-8-ol,5-[(5-chloro-2-hydroxyphenyl)diazenyl]quinolin-8-ol,Clc3cc(N=Nc1ccc(O)c2ncccc12)c(O)cc3,Clc3cc(N=Nc1ccc(O)c2ncccc12)c(O)cc3,"InChI=1/C15H10ClN3O2/c16-9-3-5-13(20)12(8-9)19-18-11-4-6-14(21)15-10(11)2-1-7-17-15/h1-8,20-21H",C15H10ClN3O2,,,,,,AJFRPQSTNAFSHG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.903,227-392-8,5819-47-6,Magnesium 2-oxopyrrolidine-5-carboxylate,magnesium bis(5-oxopyrrolidine-2-carboxylate),[Mg+2].[O-]C(=O)C1CCC(=O)N1.[O-]C(=O)C2CCC(=O)N2,[Mg+2].[O-]C(=O)C1CCC(=O)N1.[O-]C(=O)C2CCC(=O)N2,"InChI=1/2C5H7NO3.Mg/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2",C5H7NO3.Mg,,,,,,JQAACYUZYRBHGG-UHFFFAOYSA-L,,,,,,,,,,,
100.024.907,227-397-5,5821-59-0,"1H-phenalene-1,3(2H)-dione","1H-phenalene-1,3(2H)-dione",O=C1CC(=O)c2cccc3cccc1c23,O=C1CC(=O)c2cccc3cccc1c23,"InChI=1/C13H8O2/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-6H,7H2",C13H8O2,,,,,,VTZCFZARCVFOBV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.912,227-403-6,5827-58-7,Dichlorodidodecylstannane,dichloro(didodecyl)stannane,CCCCCCCCCCCC[Sn](Cl)(Cl)CCCCCCCCCCCC,CCCCCCCCCCCC[Sn](Cl)(Cl)CCCCCCCCCCCC,"InChI=1/2C12H25.2ClH.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h2*1,3-12H2,2H3;2*1H;/q;;;;+2/p-2/rC24H50Cl2Sn/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50Cl2Sn,,,,,,YREAYUWMESCMHJ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.915,227-406-2,5830-30-8,"N,N-dimethylhexanamide","N,N-dimethylhexanamide",CCCCCC(=O)N(C)C,CCCCCC(=O)N(C)C,"InChI=1/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3",C8H17NO,,,,,,OAERLTPBKQBWHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.916,227-407-8,5831-59-4,2-[(tetrahydrofurfuryl)oxy]ethanol,2-(tetrahydrofuran-2-ylmethoxy)ethanol,OCCOCC1CCCO1,OCCOCC1CCCO1,"InChI=1/C7H14O3/c8-3-5-9-6-7-2-1-4-10-7/h7-8H,1-6H2",C7H14O3,,,,,,CTPDSKVQLSDPLC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.918,227-409-9,5831-77-6,Allyl 2-pyridyl ether,2-(allyloxy)pyridine,C=CCOc1ccccn1,C=CCOc1ccccn1,"InChI=1/C8H9NO/c1-2-7-10-8-5-3-4-6-9-8/h2-6H,1,7H2",C8H9NO,,,,,,LVLLWFVQZIHMFA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.923,227-415-1,5833-18-1,"Ethyl bis(2,4-dinitrophenyl)acetate","ethyl bis(2,4-dinitrophenyl)acetate",CCOC(=O)C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],CCOC(=O)C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C16H12N4O10/c1-2-30-16(21)15(11-5-3-9(17(22)23)7-13(11)19(26)27)12-6-4-10(18(24)25)8-14(12)20(28)29/h3-8,15H,2H2,1H3",C16H12N4O10,,,,,,CMVIALRRHVVWIW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.924,227-416-7,5833-47-6,"2,2-dimethyl-1-oxa-2-silacyclohexane","2,2-dimethyl-1,2-oxasilinane",C[Si]1(C)CCCCO1,C[Si]1(C)CCCCO1,"InChI=1/C6H14OSi/c1-8(2)6-4-3-5-7-8/h3-6H2,1-2H3",C6H14OSi,,,,,,CWUHERHJSPPFHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.925,227-417-2,5833-59-0,"(1,1,3,3-tetramethyl-1,3-disiloxanediyl)dimethanol","(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dimethanol",C[Si](C)(CO)O[Si](C)(C)CO,C[Si](C)(CO)O[Si](C)(C)CO,"InChI=1/C6H18O3Si2/c1-10(2,5-7)9-11(3,4)6-8/h7-8H,5-6H2,1-4H3",C6H18O3Si2,,,,,,SVZSOVXXWFZQHH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.929,227-421-4,2/10/5836,Chloropropylate,isopropyl bis(4-chlorophenyl)(hydroxy)acetate,CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3",C17H16Cl2O3,,,,,,AXGUBXVWZBFQGA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.934,227-427-7,5839-65-6,N-[2-[(2-hydroxyethyl)amino]ethyl]oleamide,N-{2-[(2-hydroxyethyl)amino]ethyl}octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNCCO,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCCO,"InChI=1/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26)",C22H44N2O2,,,,,,NCMWZIWWCKZTJY-KTKRTIGZSA-N,,,,,,,,,,,
100.044.503,248-970-6,28328-53-2,3-nitro-4-phenoxy-5-sulphamoylbenzoic acid,3-nitro-4-phenoxy-5-sulfamoylbenzoic acid,NS(=O)(=O)c1cc(cc(c1Oc2ccccc2)[N+](=O)[O-])C(=O)O,NS(=O)(=O)c1cc(cc(c1Oc2ccccc2)[N+](=O)[O-])C(=O)O,"InChI=1/C13H10N2O7S/c14-23(20,21)11-7-8(13(16)17)6-10(15(18)19)12(11)22-9-4-2-1-3-5-9/h1-7H,(H,16,17)(H2,14,20,21)",C13H10N2O7S,,,,,,NXJUSSNAIUIVKY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.504,248-971-1,28328-54-3,3-amino-5-(aminosulphonyl)-4-phenoxybenzoic acid,3-amino-4-phenoxy-5-sulfamoylbenzoic acid,Nc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O,Nc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O,"InChI=1/C13H12N2O5S/c14-10-6-8(13(16)17)7-11(21(15,18)19)12(10)20-9-4-2-1-3-5-9/h1-7H,14H2,(H,16,17)(H2,15,18,19)",C13H12N2O5S,,,,,,GVQZPZSQRCXSJI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.505,248-972-7,28330-26-9,"1,2-dihydropyridazine-3,6-dione, sodium salt",-,[Na+].O=C1NNC(=O)C=C1,[Na+].O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2.Na/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);/q;+1",C4H4N2O2.xNa,,,,,,TZWQQLVMMAZOTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.516,248-984-2,28348-54-1,Sodium diisopropylbenzenesulphonate,"sodium 2,3-diisopropylbenzenesulfonate",[Na+].CC(C)c1cccc(c1C(C)C)S(=O)(=O)[O-],[Na+].CC(C)c1cccc(c1C(C)C)S(=O)(=O)[O-],"InChI=1/C12H18O3S.Na/c1-8(2)10-6-5-7-11(16(13,14)15)12(10)9(3)4;/h5-9H,1-4H3,(H,13,14,15);/q;+1/p-1",C12H18O3S.Na,,,,,,VTCPSNKXCRXOFS-UHFFFAOYSA-M,,,,,,,,,,,
100.044.518,248-986-3,28348-64-3,Sodium isopropylnaphthalenesulphonate,sodium 2-isopropylnaphthalene-1-sulfonate,[Na+].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-],[Na+].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C13H14O3S.Na/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h3-9H,1-2H3,(H,14,15,16);/q;+1/p-1",C13H14O3S.Na,,,,,,FGDMJJQHQDFUCP-UHFFFAOYSA-M,,,,,,,,,,,
100.044.519,248-987-9,28351-14-6,(2-mercaptoethyl)cyclohexanethiol,1-(2-sulfanylethyl)cyclohexanethiol,SCCC1(S)CCCCC1,SCCC1(S)CCCCC1,"InChI=1/C8H16S2/c9-7-6-8(10)4-2-1-3-5-8/h9-10H,1-7H2",C8H16S2,,,,,,MWKYQORKTYAWTG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.520,248-988-4,28351-20-4,Potassium diisopropylnaphthalenesulphonate,"potassium 2,3-diisopropylnaphthalene-1-sulfonate",[K+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-],[K+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-],"InChI=1/C16H20O3S.K/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);/q;+1/p-1",C16H20O3S.K,,,,,,MEMPYGRMTOKWFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.523,248-992-6,28361-64-0,"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-1-one","1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one",CCCC(=O)C1C(=CCCC1(C)C)C,CCCC(=O)C1C(=CCCC1(C)C)C,"InChI=1/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h8,12H,5-7,9H2,1-4H3",C13H22O,,,,,,DQPRWWZFNOOABK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.530,248-999-4,28380-12-3,"Ethyl (E,E,Z)-tetradeca-2,4,8-trienoate","ethyl tetradeca-2,4,8-trienoate",CCOC(=O)C=CC=CCCC=CCCCCC,CCOC(=O)C=CC=CCCC=CCCCCC,"InChI=1/C16H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h8-9,12-15H,3-7,10-11H2,1-2H3",C16H26O2,,,,,,MDUHULUQDWKICH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.535,249-005-1,28395-76-8,2-chloro-4-isocyanatoanisole,2-chloro-4-isocyanato-1-methoxybenzene,COc1ccc(cc1Cl)N=C=O,COc1ccc(cc1Cl)N=C=O,"InChI=1/C8H6ClNO2/c1-12-8-3-2-6(10-5-11)4-7(8)9/h2-4H,1H3",C8H6ClNO2,,,,,,XYRDQHNCDBDNSF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.711,222-781-9,3612-18-8,1-ethylpiperidin-4-one,1-ethylpiperidin-4-one,CCN1CCC(=O)CC1,CCN1CCC(=O)CC1,"InChI=1/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3",C7H13NO,,,,,,BDVKAMAALQXGLM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.713,222-784-5,3613-30-7,"7-methoxy-3,7-dimethyloctanal","7-methoxy-3,7-dimethyloctanal",COC(C)(C)CCCC(C)CC=O,COC(C)(C)CCCC(C)CC=O,"InChI=1/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3",C11H22O2,,,,,,IDWULKZGRNHZNR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.714,222-785-0,3613-42-1,"9,10-dibenzylanthracene","9,10-dibenzylanthracene",C(c1ccccc1)c2c3ccccc3c(Cc4ccccc4)c5ccccc25,C(c1ccccc1)c2c3ccccc3c(Cc4ccccc4)c5ccccc25,"InChI=1/C28H22/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2",C28H22,,,,,,FMVRRCDBALUUBI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.715,222-786-6,3614-30-0,Emepronium bromide,"N-ethyl-N,N-dimethyl-4,4-diphenylbutan-2-aminium bromide",[Br-].CC[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2,[Br-].CC[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2,"InChI=1/C20H28N.BrH/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20H,5,16H2,1-4H3;1H/q+1;/p-1",C20H28N.Br,,,,,,UVKFSMBPRQBNCH-UHFFFAOYSA-M,,,,,,,,,,,
100.020.720,222-791-3,3615-24-5,"4-isopropylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one","4-(isopropylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2,CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3",C14H19N3O,,,,,,XOZLRRYPUKAKMU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.724,222-796-0,3615-56-3,D-Sorbose,D-sorbose,OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)CO,OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2",C6H12O6,,,,,,BJHIKXHVCXFQLS-PYWDMBMJSA-N,,,,,,,,,,,
100.025.312,227-843-9,6000-74-4,"Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11ß)-","Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11beta)-",[Na+].[Na+].C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COP(=O)(O)O)[C@@]4(C)C[C@H](O)[C@H]23,[Na+].[Na+].C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COP(=O)(O)O)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1",C21H31O8P.2Na,,,,,,RYJIRNNXCHOUTQ-OJJGEMKLSA-N,,,,,,,,,,,
100.025.314,227-846-5,6001-93-0,"1-(3,4-dichlorophenyl)-5-isopropylbiguanide monohydrochloride","N-(3,4-dichlorophenyl)-N'-isopropylimidodicarbonimidic diamide hydrochloride",Cl.CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1,Cl.CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1,"InChI=1/C11H15Cl2N5.ClH/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7;/h3-6H,1-2H3,(H5,14,15,16,17,18);1H",C11H15Cl2N5.ClH,,,,,,SVJMILFDDBKCGG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.316,227-848-6,6002-34-2,tert-butyldiphenylphosphine,tert-butyl(diphenyl)phosphine,CC(C)(C)P(c1ccccc1)c2ccccc2,CC(C)(C)P(c1ccccc1)c2ccccc2,"InChI=1/C16H19P/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3",C16H19P,,,,,,QZUPHAGRBBOLTB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.322,227-854-9,6006-33-3,Tridecylcyclohexane,tridecylcyclohexane,CCCCCCCCCCCCCC1CCCCC1,CCCCCCCCCCCCCC1CCCCC1,"InChI=1/C19H38/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h19H,2-18H2,1H3",C19H38,,,,,,DKRUJKKWJGNYQN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.324,227-857-5,6006-81-1,ß-methylenephenethyl alcohol,2-phenylprop-2-en-1-ol,OCC(=C)c1ccccc1,OCC(=C)c1ccccc1,"InChI=1/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,10H,1,7H2",C9H10O,,,,,,BSZGXCFUKRLAAN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.325,227-858-0,6006-95-7,Pentadecylcyclohexane,pentadecylcyclohexane,CCCCCCCCCCCCCCCC1CCCCC1,CCCCCCCCCCCCCCCC1CCCCC1,"InChI=1/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h21H,2-20H2,1H3",C21H42,,,,,,ZNUABQHWFGTOCO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.337,227-871-1,6018-41-3,Methyl 2-oxo-2H-pyran-5-carboxylate,methyl 2-oxo-2H-pyran-5-carboxylate,COC(=O)C1=COC(=O)C=C1,COC(=O)C1=COC(=O)C=C1,"InChI=1/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3",C7H6O4,,,,,,HHWWWZQYHPFCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.340,227-874-8,6020-54-8,"2,4-diamino-5-phenylthiazole hydrobromide","5-phenyl-1,3-thiazole-2,4-diamine hydrobromide",Br.Nc1nc(N)c(s1)c2ccccc2,Br.Nc1nc(N)c(s1)c2ccccc2,"InChI=1/C9H9N3S.BrH/c10-8-7(13-9(11)12-8)6-4-2-1-3-5-6;/h1-5H,10H2,(H2,11,12);1H",C9H9N3S.BrH,,,,,,JFSDUFWHNHMSRU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.344,227-879-5,6022-99-7,"(3ß,5ß,16ß)-3-[(6-deoxy-4-O-ß-D-glucopyranosyl-3-O-methyl-ß-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide 16-formate",3-[(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide,CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC=O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O,CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC=O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O,"InChI=1/C37H56O15/c1-17-31(52-33-29(43)28(42)27(41)24(14-38)51-33)32(46-4)30(44)34(49-17)50-20-7-9-35(2)19(12-20)5-6-22-21(35)8-10-36(3)26(18-11-25(40)47-15-18)23(48-16-39)13-37(22,36)45/h11,16-17,19-24,26-34,38,41-45H,5-10,12-15H2,1-4H3",C37H56O15,,,,,,SVNMSAUVRSRHGA-UUXWYOJBSA-N,,,,,,,,,,,
100.025.346,227-881-6,6023-44-5,4-(dimethylamino)benzenediazonium tetrachlorozincate (2:1),bis[4-(dimethylamino)benzenediazonium] tetrachlorozincate(2-),CN(C)c1ccc(cc1)[N+]#N.CN(C)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CN(C)c1ccc(cc1)[N+]#N.CN(C)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C8H10N3.4ClH.Zn/c2*1-11(2)8-5-3-7(10-9)4-6-8;;;;;/h2*3-6H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C8H10N3.Cl4Zn/c2*1-11(2)8-5-3-7(10-9)4-6-8;1-5(2,3)4/h2*3-6H,1-2H3;/q2*+1;-2",C8H10N3.1/2Cl4Zn,,,,,,SMBZLQPVCLDRRY-UHFFFAOYSA-J,,,,,,,,,,,
100.024.899,227-388-6,3/08/5817,N-acetyl-DL-glutamic acid,N-acetyl-L-glutamic acid,O=C(C)N[C@@H](CCC(O)=O)C(O)=O,O=C(C)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)",C7H11NO5,,,,,,RFMMMVDNIPUKGG-YFKPBYRVSA-N,,,,,,,,,,,
100.024.904,227-393-3,5820-22-4,(2-methylallyloxy)benzene,[(2-methylprop-2-en-1-yl)oxy]benzene,CC(=C)COc1ccccc1,CC(=C)COc1ccccc1,"InChI=1/C10H12O/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3",C10H12O,,,,,,LECDNXOCIPRJNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.905,227-394-9,5820-89-3,"(2E,6E)-nona-2,6-dien-1-ol","nona-2,6-dien-1-ol",CC\\C=C\\CC\\C=C\\CO,CC\C=C\CC\C=C\CO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3",C9H16O,,,,,,AMXYRHBJZOVHOL-DYWGDJMRSA-N,,,,,,,,,,,
100.024.908,227-398-0,5825-87-6,2-(3-chlorophenoxy)propionamide,2-(3-chlorophenoxy)propanamide,CC(Oc1cccc(Cl)c1)C(=O)N,CC(Oc1cccc(Cl)c1)C(=O)N,"InChI=1/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H2,11,12)",C9H10ClNO2,,,,,,QVTINYNCTADMES-UHFFFAOYSA-N,,,,,,,,,,,
100.024.910,227-401-5,5827-56-5,Tetradodecylstannane,tetradodecylstannane,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/4C12H25.Sn/c4*1-3-5-7-9-11-12-10-8-6-4-2;/h4*1,3-12H2,2H3;/rC48H100Sn/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h5-48H2,1-4H3",C48H100Sn,,,,,,FDNSKZMGQQDYQB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.858,217-443-2,1852-17-1,Perhydropyrimidin-2-one,tetrahydropyrimidin-2(1H)-one,O=C1NCCCN1,O=C1NCCCN1,"InChI=1/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)",C4H8N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6002,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.858,NQPJDJVGBDHCAD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.859,217-444-8,1852-18-2,Tetrahydro-5-hydroxy-1H-pyrimidin-2-one,5-hydroxytetrahydropyrimidin-2(1H)-one,OC1CNC(=O)NC1,OC1CNC(=O)NC1,"InChI=1/C4H8N2O2/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8)",C4H8N2O2,,,,,,PZSCGIVZIUKDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.861,217-446-9,1852-36-4,Hydrocortisone 21-(sodium sulphate),"sodium 11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl sulfate",CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COS(=O)(=O)O[Na])C4(C)CC(O)C23,CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COS(=O)(=O)O[Na])C4(C)CC(O)C23,"InChI=1/C21H30O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/rC21H29NaO8S/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-29-31(27,28)30-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,24,26H,3-8,10-11H2,1-2H3",C21H30O8S.Na,,,,,,DJKQHUMDQFOLHE-UHFFFAOYSA-M,,,,,,,,,,,
100.015.866,217-452-1,1855-09-0,"1-phenylpropane-1,2-diol","1-phenylpropane-1,2-diol",CC(O)C(O)c1ccccc1,CC(O)C(O)c1ccccc1,"InChI=1/C9H12O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9-11H,1H3",C9H12O2,,,,,,MZQZXSHFWDHNOW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.867,217-453-7,1855-23-8,5-cyclohexylsalicylic acid,5-cyclohexyl-2-hydroxybenzoic acid,OC(=O)c1cc(ccc1O)C2CCCCC2,OC(=O)c1cc(ccc1O)C2CCCCC2,"InChI=1/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)",C13H16O3,,,,,,GZEPXNUXMPYSOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.876,217-463-1,1861-21-8,5-allyl-5-isopropyl-1-methylbarbituric acid,"5-allyl-5-isopropyl-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O,CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O,"InChI=1/C11H16N2O3/c1-5-6-11(7(2)3)8(14)12-10(16)13(4)9(11)15/h5,7H,1,6H2,2-4H3,(H,12,14,16)",C11H16N2O3,,,,,,AXJXURWWUFZZKN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.887,217-475-7,1866-16-6,(propylcarbonylthioethyl)trimethylammonium iodide,"1-(butyrylsulfanyl)-N,N,N-trimethylethanaminium iodide",[I-].CCCC(=O)SC(C)[N+](C)(C)C,[I-].CCCC(=O)SC(C)[N+](C)(C)C,"InChI=1/C9H20NOS.HI/c1-6-7-9(11)12-8(2)10(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1",C9H20NOS.I,,,,,,IYNXNSQJLCWMOU-UHFFFAOYSA-M,,,,,,,,,,,
100.015.888,217-476-2,1866-17-7,2-acetylthiopropyltrimethylammonium iodide,"2-(acetylsulfanyl)-N,N,N-trimethylpropan-1-aminium iodide",[I-].CC(C[N+](C)(C)C)SC(=O)C,[I-].CC(C[N+](C)(C)C)SC(=O)C,"InChI=1/C8H18NOS.HI/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1",C8H18NOS.I,,,,,,XFWLTEMLPVNWIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.015.890,217-478-3,1866-38-2,m-chlorocinnamic acid,3-(3-chlorophenyl)acrylic acid,OC(=O)\\C=C\\c1cccc(Cl)c1,OC(=O)\C=C\c1cccc(Cl)c1,"InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)",C9H7ClO2,,,,,,FFKGOJWPSXRALK-SNAWJCMRSA-N,,,,,,,,,,,
100.021.132,223-244-1,3781-34-8,"2'-bicyclo[2.2.1]hept-5-en-2-ylspiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxane]","2'-bicyclo[2.2.1]hept-5-en-2-ylspiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxane]",C1OC(OCC12CC3CC2C=C3)C4CC5CC4C=C5,C1OC(OCC12CC3CC2C=C3)C4CC5CC4C=C5,"InChI=1/C17H22O2/c1-3-13-5-11(1)7-15(13)16-18-9-17(10-19-16)8-12-2-4-14(17)6-12/h1-4,11-16H,5-10H2",C17H22O2,,,,,,DJAGRBSIXXHAHL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.134,223-246-2,3784-03-0,"Sodium 2,4,6-trichlorophenolate","sodium 2,4,6-trichlorophenolate",[Na+].[O-]c1c(Cl)cc(Cl)cc1Cl,[Na+].[O-]c1c(Cl)cc(Cl)cc1Cl,"InChI=1/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.Na,,,,,,MWWVVWIHGYXNNR-UHFFFAOYSA-M,,,,,,,,,,,
100.021.139,223-252-5,3785-44-2,"6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33-docosahydro-35,37-dimethyl-5,34:18,23-diethenodibenzo[b,r][1,5,16,20]tetraazacyclotriacontine-23,34-diium diacetate","35,37-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33-docosahydro-5,34:18,23-diethenodibenzo[b,r][1,5,16,20]tetraazacyclotriacontine-23,34-diium diacetate",CC(=O)[O-].CC(=O)[O-].Cc1cc2NCCCCCCCCCCNc3cc(C)[n+](CCCCCCCCCC[n+]1c4ccccc24)c5ccccc35,CC(=O)[O-].CC(=O)[O-].Cc1cc2NCCCCCCCCCCNc3cc(C)[n+](CCCCCCCCCC[n+]1c4ccccc24)c5ccccc35,"InChI=1/C40H56N4.2C2H4O2/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37;2*1-2(3)4/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3;2*1H3,(H,3,4)",C40H58N4.2C2H3O2,,,,,,GCWKUHNKKWYKOP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.141,223-254-6,1/08/3786,"N-(N-acetyl-3-phenyl-L-alanyl)-3,5-diiodo-L-tyrosine","N-acetylphenylalanyl-3,5-diiodo-L-tyrosine",CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)O,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)O,"InChI=1/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)",C20H20I2N2O5,,,,,,DWIHCEZUWCRUES-IRXDYDNUSA-N,,,,,,,,,,,
100.028.517,231-368-2,7512-17-6,N-acetyl-ß-D-glucosamine,2-acetamido-2-deoxyhexose,CC(=O)NC(C=O)C(O)C(O)C(O)CO,CC(=O)NC(C=O)C(O)C(O)C(O)CO,"InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)",C8H15NO6,,,,,,MBLBDJOUHNCFQT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.524,231-376-6,7517-27-3,"3-(hexadecylamino)propane-1,2-diol","3-(hexadecylamino)propane-1,2-diol",CCCCCCCCCCCCCCCCNCC(O)CO,CCCCCCCCCCCCCCCCNCC(O)CO,"InChI=1/C19H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-19(22)18-21/h19-22H,2-18H2,1H3",C19H41NO2,,,,,,NQDNTSUCOCYXMR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.527,231-379-2,7520-72-1,"3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)acrylonitrile","3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)acrylonitrile",COC\\C(=C/c1ccc(OC)c(OC)c1)\\C#N,COC\C(=C/c1ccc(OC)c(OC)c1)\C#N,"InChI=1/C13H15NO3/c1-15-9-11(8-14)6-10-4-5-12(16-2)13(7-10)17-3/h4-7H,9H2,1-3H3",C13H15NO3,,,,,,ITWADOIIIDKDET-WDZFZDKYSA-N,,,,,,,,,,,
100.028.531,231-383-4,7524-50-7,Methyl L-phenylalaninate hydrochloride,methyl L-phenylalaninate hydrochloride,Cl.COC(=O)[C@@H](N)Cc1ccccc1,Cl.COC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H",C10H13NO2.ClH,,,,,,SWVMLNPDTIFDDY-FVGYRXGTSA-N,,,,,,,,,,,
100.028.534,231-387-6,7526-21-8,Amidinouronium nitrate,amino-N-[amino(hydroxy)methylene]iminomethanaminium nitrate,NC(=[NH+]C(=N)N)O.[O-][N+](=O)[O-],NC(=[NH+]C(=N)N)O.[O-][N+](=O)[O-],"InChI=1/C2H6N4O.NO3/c3-1(4)6-2(5)7;2-1(3)4/h(H6,3,4,5,6,7);/q;-1/p+1",C2H6N4O.HNO3,,,,,,QKPOTUVCKMEZJI-UHFFFAOYSA-O,,,,,,,,,,,
100.028.542,231-396-5,4/10/7531,"2,2,4,4-tetramethylcyclobutane-1,3-diamine","2,2,4,4-tetramethylcyclobutane-1,3-diamine",CC1(C)C(N)C(C)(C)C1N,CC1(C)C(N)C(C)(C)C1N,"InChI=1/C8H18N2/c1-7(2)5(9)8(3,4)6(7)10/h5-6H,9-10H2,1-4H3",C8H18N2,,,,,,QWEVGNOJPHTVEY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.545,231-399-1,7532-85-6,Dichlorodivinylstannane,dichloro(divinyl)stannane,Cl[Sn](Cl)(C=C)C=C,Cl[Sn](Cl)(C=C)C=C,"InChI=1/2C2H3.2ClH.Sn/c2*1-2;;;/h2*1H,2H2;2*1H;/q;;;;+2/p-2/rC4H6Cl2Sn/c1-3-7(5,6)4-2/h3-4H,1-2H2",C4H6Cl2Sn,,,,,,LWHKXKZPLXYXRO-UHFFFAOYSA-L,,,,,,,,,,,
100.028.548,231-402-6,7534-82-9,"6-chloro-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene","6-chloro-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",ClC1CC2CC1C3CC=CC23,ClC1CC2CC1C3CC=CC23,"InChI=1/C10H13Cl/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-10H,3-5H2",C10H13Cl,,,,,,NYPOWANMYCBCFP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.557,231-412-0,7539-12-0,"3-allyl(dihydro)furan-2,5-dione","3-allyldihydrofuran-2,5-dione",C=CCC1CC(=O)OC1=O,C=CCC1CC(=O)OC1=O,"InChI=1/C7H8O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5H,1,3-4H2",C7H8O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10780,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.557,WUMMIJWEUDHZCL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.560,231-415-7,7540-51-4,"(-)-3,7-dimethyloct-6-en-1-ol","3,7-dimethyloct-6-en-1-ol",CC(CCO)CCC=C(C)C,CC(CCO)CCC=C(C)C,"InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",C10H20O,,,,,,QMVPMAAFGQKVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.562,231-417-8,7540-64-9,a-D-ribofuranose 5-(dihydrogen phosphate) 1-(trihydrogen diphosphate),1-O-[hydroxy(phosphonooxy)phosphoryl]-5-O-phosphonopentofuranose,OC1C(O)C(OP(=O)(O)OP(=O)(O)O)OC1COP(=O)(O)O,OC1C(O)C(OP(=O)(O)OP(=O)(O)O)OC1COP(=O)(O)O,"InChI=1/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)",C5H13O14P3,,,,,,PQGCEDQWHSBAJP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.133,230-946-1,7379-35-3,4-chloropyridine hydrochloride,4-chloropyridine hydrochloride,Cl.Clc1ccncc1,Cl.Clc1ccncc1,InChI=1/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H,C5H4ClN.ClH,,,,,,XGAFCCUNHIMIRV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.134,230-947-7,7379-51-3,"4-(methylthio)-3,5-xylenol","3,5-dimethyl-4-(methylsulfanyl)phenol",CSc1c(C)cc(O)cc1C,CSc1c(C)cc(O)cc1C,"InChI=1/C9H12OS/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3",C9H12OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11678,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.134,JGFZITGNFAVSKU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.136,230-949-8,3/01/7381,Sodium 2-sulphonatoethyl laurate,sodium 2-(dodecanoyloxy)ethanesulfonate,[Na+].CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-],"InChI=1/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(15)19-12-13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1",C14H28O5S.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13221,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.136,BRMSVEGRHOZCAM-UHFFFAOYSA-M,,,,,,,,,,,
100.028.137,230-950-3,7381-30-8,"2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane","2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane",C[Si](C)(C)OCCO[Si](C)(C)C,C[Si](C)(C)OCCO[Si](C)(C)C,"InChI=1/C8H22O2Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-8H2,1-6H3",C8H22O2Si2,,,,,,JGWFUSVYECJQDT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.138,230-951-9,7382-23-2,"N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]methacrylamide","2-methyl-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]acrylamide",CC(=C)C(=O)NC1=NN(C(=O)C1)c2c(Cl)cc(Cl)cc2Cl,CC(=C)C(=O)NC1=NN(C(=O)C1)c2c(Cl)cc(Cl)cc2Cl,"InChI=1/C13H10Cl3N3O2/c1-6(2)13(21)17-10-5-11(20)19(18-10)12-8(15)3-7(14)4-9(12)16/h3-4H,1,5H2,2H3,(H,17,18,21)",C13H10Cl3N3O2,,,,,,BKTNHKCSXCCZBH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.725,222-797-6,3615-74-5,Promolate,2-morpholin-4-ylethyl 2-methyl-2-phenoxypropanoate,CC(C)(Oc1ccccc1)C(=O)OCCN2CCOCC2,CC(C)(Oc1ccccc1)C(=O)OCCN2CCOCC2,"InChI=1/C16H23NO4/c1-16(2,21-14-6-4-3-5-7-14)15(18)20-13-10-17-8-11-19-12-9-17/h3-7H,8-13H2,1-2H3",C16H23NO4,,,,,,GMISKEUWHIRDNK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.737,222-810-5,3618-62-0,"Sodium 2,4-diamino-5-(2-hydroxy-5-nitrophenylazo)benzenesulphonate","sodium 2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate",[Na+].Oc2ccc(cc2N=Nc1cc(c(N)cc1N)S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc2ccc(cc2N=Nc1cc(c(N)cc1N)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C12H11N5O6S.Na/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-5,18H,13-14H2,(H,21,22,23);/q;+1/p-1",C12H11N5O6S.Na,,,,,,QHMUUKSTOXAOST-UHFFFAOYSA-M,,,,,,,,,,,
100.020.743,222-816-8,3620-18-6,3-acetyldihydro-5-methylfuran-2(3H)-one,3-acetyl-5-methyldihydrofuran-2(3H)-one,CC1CC(C(=O)C)C(=O)O1,CC1CC(C(=O)C)C(=O)O1,"InChI=1/C7H10O3/c1-4-3-6(5(2)8)7(9)10-4/h4,6H,3H2,1-2H3",C7H10O3,,,,,,PNRIRUUSCZDXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.001,224-200-4,4238-71-5,1-benzyl-1H-imidazole,1-benzyl-1H-imidazole,C(c1ccccc1)n2ccnc2,C(c1ccccc1)n2ccnc2,"InChI=1/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2",C10H10N2,,,,,,KKKDZZRICRFGSD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.002,224-202-5,4241-27-4,"1,2-dihydro-6-methyl-2-oxonicotinonitrile","6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C1=C\\C=C(\\C)NC1=O,N#C\C1=C\C=C(\C)NC1=O,"InChI=1/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3H,1H3,(H,9,10)",C7H6N2O,,,,,,FIMGYEKEYXUTGD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.008,224-208-8,3/02/4247,Isobutyl 4-hydroxybenzoate,isobutyl 4-hydroxybenzoate,CC(C)COC(=O)c1ccc(O)cc1,CC(C)COC(=O)c1ccc(O)cc1,"InChI=1/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3",C11H14O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17752,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.008,XPJVKCRENWUEJH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.265,221-190-3,3026-81-1,"2,2'-[(dibutylstannylene)bis(thio)]diethanol","2,2'-[(dibutylstannanediyl)disulfanediyl]diethanol",CCCC[Sn](CCCC)(SCCO)SCCO,CCCC[Sn](CCCC)(SCCO)SCCO,"InChI=1/2C4H9.2C2H6OS.Sn/c2*1-3-4-2;2*3-1-2-4;/h2*1,3-4H2,2H3;2*3-4H,1-2H2;/q;;;;+2/p-2/rC12H28O2S2Sn/c1-3-5-11-17(12-6-4-2,15-9-7-13)16-10-8-14/h13-14H,3-12H2,1-2H3",C12H28O2S2Sn,,,,,,ZFWGNAOKHGCBSE-UHFFFAOYSA-L,,,,,,,,,,,
100.019.266,221-191-9,3027-13-2,1-(3-methoxyphenyl)acetone,1-(3-methoxyphenyl)acetone,COc1cccc(CC(=O)C)c1,COc1cccc(CC(=O)C)c1,"InChI=1/C10H12O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7H,6H2,1-2H3",C10H12O2,,,,,,RMMRRRLPDBJBQL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.271,221-197-1,3029-30-9,"Naphthalene-1,4-dicarbonitrile","naphthalene-1,4-dicarbonitrile",N#Cc1ccc(C#N)c2ccccc12,N#Cc1ccc(C#N)c2ccccc12,InChI=1/C12H6N2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,C12H6N2,,,,,,BENSWQOUPJQWMU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.272,221-198-7,3029-40-1,"1,8-diphenylocta-1,3,5,7-tetraene","1,1'-octa-1,3,5,7-tetraene-1,8-diyldibenzene",C(C=Cc1ccccc1)=CC=CC=Cc2ccccc2,C(C=Cc1ccccc1)=CC=CC=Cc2ccccc2,InChI=1/C20H18/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20/h1-18H,C20H18,,,,,,ZENGMMQJMCPHTK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.277,221-203-2,3030-80-6,Zinc di(benzimidazol-2-yl) disulphide,zinc bis(1H-benzimidazole-2-thiolate),S([Zn]Sc1nc2ccccc2[nH]1)c3nc4ccccc4[nH]3,S([Zn]Sc1nc2ccccc2[nH]1)c3nc4ccccc4[nH]3,"InChI=1/2C7H6N2S.Zn/c2*10-7-8-5-3-1-2-4-6(5)9-7;/h2*1-4H,(H2,8,9,10);/q;;+2/p-2/rC14H10N4S2Zn/c1-2-6-10-9(5-1)15-13(16-10)19-21-20-14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)(H,17,18)",C7H6N2S.1/2Zn,,,,,,HQYFKBJJJHDINU-UHFFFAOYSA-L,,,,,,,,,,,
100.019.278,221-204-8,8/05/3031,"1,2,6-trimethylnaphthalene","1,2,6-trimethylnaphthalene",Cc1ccc2c(C)c(C)ccc2c1,Cc1ccc2c(C)c(C)ccc2c1,"InChI=1/C13H14/c1-9-4-7-13-11(3)10(2)5-6-12(13)8-9/h4-8H,1-3H3",C13H14,,,,,,GQYLQOBVKLBZPU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.279,221-205-3,1/08/3031,"1,3,6-trimethylnaphthalene","1,3,6-trimethylnaphthalene",Cc1ccc2c(C)cc(C)cc2c1,Cc1ccc2c(C)cc(C)cc2c1,"InChI=1/C13H14/c1-9-4-5-13-11(3)6-10(2)8-12(13)7-9/h4-8H,1-3H3",C13H14,,,,,,OHJWSORLJAKJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.293,221-221-0,3033-77-0,"2,3-epoxypropyltrimethylammonium chloride","N,N,N-trimethyl(oxiran-2-yl)methanaminium chloride",[Cl-].C[N+](C)(C)CC1CO1,[Cl-].C[N+](C)(C)CC1CO1,"InChI=1/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1",C6H14NO.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15268,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.293,PUVAFTRIIUSGLK-UHFFFAOYSA-M,,,,,,,,,,,
100.019.294,221-222-6,3034-19-3,2-nitrophenylhydrazine,(2-nitrophenyl)hydrazine,NNc1ccccc1[N+](=O)[O-],NNc1ccccc1[N+](=O)[O-],"InChI=1/C6H7N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4,8H,7H2",C6H7N3O2,,,,,,FRBUNLLUASHNDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.295,221-223-1,3034-34-2,p-cyanobenzamide,4-cyanobenzamide,NC(=O)c1ccc(cc1)C#N,NC(=O)c1ccc(cc1)C#N,"InChI=1/C8H6N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H2,10,11)",C8H6N2O,,,,,,FUKWTMJZHKZKFA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.298,221-226-8,3034-48-8,"2-bromo-5-nitro-1,3-thiazole","2-bromo-5-nitro-1,3-thiazole",[O-][N+](=O)c1cnc(Br)s1,[O-][N+](=O)c1cnc(Br)s1,InChI=1/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H,C3HBrN2O2S,,,,,,ANIJFZVZXZQFDH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.299,221-227-3,3034-50-2,1H-imidazole-4-carbaldehyde,1H-imidazole-4-carbaldehyde,O=Cc1c[nH]cn1,O=Cc1c[nH]cn1,"InChI=1/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)",C4H4N2O,,,,,,ZQEXIXXJFSQPNA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.922,227-414-6,5832-55-3,"2-(hydroxymethyl)quinuclidine-3,3-diol hydrochloride","2-(hydroxymethyl)quinuclidine-3,3-diol hydrochloride",Cl.OCC1N2CCC(CC2)C1(O)O,Cl.OCC1N2CCC(CC2)C1(O)O,"InChI=1/C8H15NO3.ClH/c10-5-7-8(11,12)6-1-3-9(7)4-2-6;/h6-7,10-12H,1-5H2;1H",C8H15NO3.ClH,,,,,,FUCINBXREPZIOU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.927,227-419-3,5834-96-8,Azothoate,"O-{4-[(4-chlorophenyl)diazenyl]phenyl} O,O-dimethyl thiophosphate",Clc2ccc(N=Nc1ccc(OP(=S)(OC)OC)cc1)cc2,Clc2ccc(N=Nc1ccc(OP(=S)(OC)OC)cc1)cc2,"InChI=1/C14H14ClN2O3PS/c1-18-21(22,19-2)20-14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3",C14H14ClN2O3PS,,,,,,DCEAEHHJGXAROU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.928,227-420-9,1/04/5835,"[2S-[2a(E),7ß,7aß,14ß,14aa]]-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-2-yl cinnamate",2-oxospartein-13-yl 3-phenylacrylate,O=C(OC1CCN2CC3CC(CN4C3CCCC4=O)C2C1)C=Cc5ccccc5,O=C(OC1CCN2CC3CC(CN4C3CCCC4=O)C2C1)C=Cc5ccccc5,"InChI=1/C24H30N2O3/c27-23-8-4-7-21-18-13-19(16-26(21)23)22-14-20(11-12-25(22)15-18)29-24(28)10-9-17-5-2-1-3-6-17/h1-3,5-6,9-10,18-22H,4,7-8,11-16H2",C24H30N2O3,,,,,,PUFYZCKVLOYPHL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.930,227-423-5,5836-23-7,"N',N',N''',N'''-tetramethyl-N,N''-ethylenebis(thiuram disulphide)","1,2-bis({[(dimethylcarbamothioyl)disulfanyl]carbonothioyl}amino)ethane",CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C,CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C,"InChI=1/C10H18N4S8/c1-13(2)9(17)21-19-7(15)11-5-6-12-8(16)20-22-10(18)14(3)4/h5-6H2,1-4H3,(H,11,15)(H,12,16)",C10H18N4S8,,,,,,OTWBGXPTCSGQEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.931,227-424-0,5836-29-3,Coumatetralyl,"4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromen-2-one",OC1=C(C2CCCc3ccccc23)C(=O)Oc4ccccc14,OC1=C(C2CCCc3ccccc23)C(=O)Oc4ccccc14,"InChI=1/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2",C19H16O3,,,,,,ULSLJYXHZDTLQK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.935,227-428-2,5840-15-3,"3-anilinopropane-1,2-diol","3-anilinopropane-1,2-diol",OCC(O)CNc1ccccc1,OCC(O)CNc1ccccc1,"InChI=1/C9H13NO2/c11-7-9(12)6-10-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2",C9H13NO2,,,,,,INHHFZUVCCBNTO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.521,231-372-4,7516-70-3,Dioctadecyl maleate,dioctadecyl but-2-enedioate,CCCCCCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C40H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43-39(41)35-36-40(42)44-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-38H2,1-2H3",C40H76O4,,,,,,XHSDDKAGJYJAQM-KXYMVQBMSA-N,,,,,,,,,,,
100.028.523,231-375-0,7517-19-3,Methyl L-leucinate hydrochloride,methyl L-leucinate hydrochloride,Cl.COC(=O)[C@@H](N)CC(C)C,Cl.COC(=O)[C@@H](N)CC(C)C,"InChI=1/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H",C7H15NO2.ClH,,,,,,DODCBMODXGJOKD-RGMNGODLSA-N,,,,,,,,,,,
100.028.526,231-378-7,7520-69-6,"2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile",COC\\C(=C\\c1cc(OC)c(OC)c(OC)c1)\\C#N,COC\C(=C\c1cc(OC)c(OC)c(OC)c1)\C#N,"InChI=1/C14H17NO4/c1-16-9-11(8-15)5-10-6-12(17-2)14(19-4)13(7-10)18-3/h5-7H,9H2,1-4H3",C14H17NO4,,,,,,RMKSZKNEPFLURM-VZUCSPMQSA-N,,,,,,,,,,,
100.028.538,231-391-8,7529-22-8,"4-methylmorpholine 4-oxide, monohydrate",4-methylmorpholine 4-oxide,C[N+]1([O-])CCOCC1,C[N+]1([O-])CCOCC1,"InChI=1/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3",C5H11NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15946,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.538,LFTLOKWAGJYHHR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.543,231-397-0,7531-52-4,(S)-pyrrolidine-2-carboxamide,L-prolinamide,NC(=O)[C@@H]1CCCN1,NC(=O)[C@@H]1CCCN1,"InChI=1/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)",C5H10N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6793,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.543,VLJNHYLEOZPXFW-BYPYZUCNSA-N,,,,,,,,,,,
100.028.550,231-404-7,7535-56-0,4-nitrophenyl N-(tert-butoxycarbonyl)-3-phenyl-L-alaninate,4-nitrophenyl N-(tert-butoxycarbonyl)-L-phenylalaninate,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C20H22N2O6/c1-20(2,3)28-19(24)21-17(13-14-7-5-4-6-8-14)18(23)27-16-11-9-15(10-12-16)22(25)26/h4-12,17H,13H2,1-3H3,(H,21,24)",C20H22N2O6,,,,,,QZIWWFMMLBBICG-KRWDZBQOSA-N,,,,,,,,,,,
100.028.553,231-407-3,7/07/7537,"(2-chloro-3,4-dimethoxyphenyl)acetonitrile","(2-chloro-3,4-dimethoxyphenyl)acetonitrile",COc1ccc(CC#N)c(Cl)c1OC,COc1ccc(CC#N)c(Cl)c1OC,"InChI=1/C10H10ClNO2/c1-13-8-4-3-7(5-6-12)9(11)10(8)14-2/h3-4H,5H2,1-2H3",C10H10ClNO2,,,,,,OHKWPKQYDBARHV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.556,231-411-5,7538-59-2,Calcium 4-[(4-chloro-3-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,calcium 4-[(4-chloro-3-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ca+2].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O,[Ca+2].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O,"InChI=1/C17H11ClN2O6S.Ca/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23;/h1-8,21H,(H,22,23)(H,24,25,26);/q;+2/p-2",C17H11ClN2O6S.Ca,,,,,,VIZJOGBLIXKRJU-UHFFFAOYSA-L,,,,,,,,,,,
100.021.143,223-256-7,3786-91-2,"R-1,c-2,c-3,c-4-cyclopentanetetracarboxylic acid","cyclopentane-1,2,3,4-tetracarboxylic acid",OC(=O)C1CC(C(C1C(=O)O)C(=O)O)C(=O)O,OC(=O)C1CC(C(C1C(=O)O)C(=O)O)C(=O)O,"InChI=1/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)",C9H10O8,,,,,,WOSVXXBNNCUXMT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.146,223-259-3,3788-94-1,Ethyl 2-(ethoxymethylene)acetoacetate,ethyl 2-(ethoxymethylene)-3-oxobutanoate,O=C(C)C(=COCC)C(=O)OCC,O=C(C)C(=COCC)C(=O)OCC,"InChI=1/C9H14O4/c1-4-12-6-8(7(3)10)9(11)13-5-2/h6H,4-5H2,1-3H3",C9H14O4,,,,,,FNASCUBBFNCFQO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.147,223-260-9,3789-97-7,Glucuronamide,"2,3,4,5-tetrahydroxy-6-oxohexanamide (non-preferred name)",NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H11NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,(H2,7,13)",C6H11NO6,,,,,,JRIOKBXQMHEJOZ-QTBDOELSSA-N,,,,,,,,,,,
100.021.149,223-263-5,3790-78-1,"(Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol","3,7,11-trimethyldodeca-1,6,10-trien-3-ol",CC(=CCC\\C(=C/CCC(C)(O)C=C)\\C)C,CC(=CCC\C(=C/CCC(C)(O)C=C)\C)C,"InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3",C15H26O,,,,,,FQTLCLSUCSAZDY-KAMYIIQDSA-N,,,,,,,,,,,
100.021.152,223-266-1,3794-64-7,Silver heptafluorobutyrate,silver(1+) heptafluorobutanoate,[Ag+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F,[Ag+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1",C4HF7O2.Ag,,,,,,GPNIJXACCBKBEP-UHFFFAOYSA-M,,,,,,,,,,,
100.021.157,223-271-9,3801-89-6,1-(3-fluorophenyl)piperazine,1-(3-fluorophenyl)piperazine,Fc1cccc(c1)N2CCNCC2,Fc1cccc(c1)N2CCNCC2,"InChI=1/C10H13FN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2",C10H13FN2,,,,,,KIFCSMQTGWVMOD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.159,223-274-5,3804-23-7,Scandium(3+) acetate,scandium triacetate,[Sc+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Sc+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Sc/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Sc,,,,,,DBTMQFKUVICLQN-UHFFFAOYSA-K,,,,,,,,,,,
100.021.160,223-275-0,3804-89-5,"2'-(sulphomethyl)isonicotinohydrazide, monosodium salt",sodium (2-isonicotinoylhydrazino)methanesulfonate,[Na]OS(=O)(=O)CNNC(=O)c1ccncc1,[Na]OS(=O)(=O)CNNC(=O)c1ccncc1,"InChI=1/C7H9N3O4S.Na/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14;/h1-4,9H,5H2,(H,10,11)(H,12,13,14);/q;+1/p-1/rC7H8N3NaO4S/c11-15-16(13,14)5-9-10-7(12)6-1-3-8-4-2-6/h1-4,9H,5H2,(H,10,12)",C7H9N3O4S.Na,,,,,,XIKFVJMQXWJVQW-UHFFFAOYSA-M,,,,,,,,,,,
100.021.163,223-278-7,3808-86-4,"Di(2,5-xylyl) disulphide","1,1'-disulfanediylbis(2,5-dimethylbenzene)",Cc1ccc(C)c(SSc2cc(C)ccc2C)c1,Cc1ccc(C)c(SSc2cc(C)ccc2C)c1,"InChI=1/C16H18S2/c1-11-5-7-13(3)15(9-11)17-18-16-10-12(2)6-8-14(16)4/h5-10H,1-4H3",C16H18S2,,,,,,LUGHQYFCYGQCLK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.164,223-279-2,3808-87-5,"2,4,5-trichlorophenyl disulphide","1,1'-disulfanediylbis(2,4,5-trichlorobenzene)",Clc1cc(Cl)c(SSc2cc(Cl)c(Cl)cc2Cl)cc1Cl,Clc1cc(Cl)c(SSc2cc(Cl)c(Cl)cc2Cl)cc1Cl,InChI=1/C12H4Cl6S2/c13-5-1-9(17)11(3-7(5)15)19-20-12-4-8(16)6(14)2-10(12)18/h1-4H,C12H4Cl6S2,,,,,,ZUVJVEOHQKNMPN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.165,223-280-8,3809-31-2,Sodium 2-anilino-5-nitrobenzenesulphonate,sodium 2-anilino-5-nitrobenzenesulfonate,[Na+].[O-][N+](=O)c1ccc(Nc2ccccc2)c(c1)S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1ccc(Nc2ccccc2)c(c1)S(=O)(=O)[O-],"InChI=1/C12H10N2O5S.Na/c15-14(16)10-6-7-11(12(8-10)20(17,18)19)13-9-4-2-1-3-5-9;/h1-8,13H,(H,17,18,19);/q;+1/p-1",C12H10N2O5S.Na,,,,,,OKXKVNPMOSWVPS-UHFFFAOYSA-M,,,,,,,,,,,
100.021.174,223-290-2,3811-16-3,4-[[4-[(acetamido)sulphonyl]phenyl]amino]-4-oxobutyric acid,4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoic acid,CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,"InChI=1/C12H14N2O6S/c1-8(15)14-21(19,20)10-4-2-9(3-5-10)13-11(16)6-7-12(17)18/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)(H,17,18)",C12H14N2O6S,,,,,,KFTWTNRNXVBUCC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.011,219-811-8,2539-21-1,o-(1-methylethoxy)anisole,1-isopropoxy-2-methoxybenzene,COc1ccccc1OC(C)C,COc1ccccc1OC(C)C,"InChI=1/C10H14O2/c1-8(2)12-10-7-5-4-6-9(10)11-3/h4-8H,1-3H3",C10H14O2,,,,,,HZXKDBNTDXFOIG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.017,219-818-6,2540-82-1,Formothion,"S-{2-[formyl(methyl)amino]-2-oxoethyl} O,O-dimethyl dithiophosphate",COP(=S)(OC)SCC(=O)N(C)C=O,COP(=S)(OC)SCC(=O)N(C)C=O,"InChI=1/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3",C6H12NO4PS2,,,,,,AIKKULXCBHRFOS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.025,219-827-5,2545-40-6,N-acetyl-DL-aspartic acid,N-acetyl-L-aspartic acid,O=C(C)N[C@@H](CC(O)=O)C(O)=O,O=C(C)N[C@@H](CC(O)=O)C(O)=O,"InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)",C6H9NO5,,,,,,OTCCIMWXFLJLIA-BYPYZUCNSA-N,,,,,,,,,,,
100.018.029,219-831-7,2547-66-2,"1,3,5-tribenzylhexahydro-1,3,5-triazine","1,3,5-tribenzyl-1,3,5-triazinane",C(N1CN(Cc2ccccc2)CN(Cc3ccccc3)C1)c4ccccc4,C(N1CN(Cc2ccccc2)CN(Cc3ccccc3)C1)c4ccccc4,"InChI=1/C24H27N3/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h1-15H,16-21H2",C24H27N3,,,,,,VWVZIRPJPFJGFE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.143,230-957-1,7383-71-3,"2,2,3,3-tetrafluoropropyl acrylate","2,2,3,3-tetrafluoropropyl acrylate",FC(F)C(F)(F)COC(=O)C=C,FC(F)C(F)(F)COC(=O)C=C,"InChI=1/C6H6F4O2/c1-2-4(11)12-3-6(9,10)5(7)8/h2,5H,1,3H2",C6H6F4O2,,,,,,VHJHZYSXJKREEE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.148,230-962-9,7384-98-7,Propylene di(octanoate),"propane-1,2-diyl dioctanoate",CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC,CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC,"InChI=1/C19H36O4/c1-4-6-8-10-12-14-18(20)22-16-17(3)23-19(21)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3",C19H36O4,,,,,,OVYMWJFNQQOJBU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.151,230-966-0,7385-67-3,9-(diethylamino)benzo[a]phenoxazin-5(5H)-one,9-(diethylamino)-5H-benzo[a]phenoxazin-5-one,CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)Oc2c1,CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)Oc2c1,"InChI=1/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3",C20H18N2O2,,,,,,VOFUROIFQGPCGE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.156,230-971-8,7389-41-5,Disodium 4-octyl 2-sulphonatosuccinate,disodium 4-(octyloxy)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C12H22O7S.2Na/c1-2-3-4-5-6-7-8-19-11(13)9-10(12(14)15)20(16,17)18;;/h10H,2-9H2,1H3,(H,14,15)(H,16,17,18);;/q;2*+1/p-2",C12H22O7S.2Na,,,,,,HNINHOHKYCRTTM-UHFFFAOYSA-L,,,,,,,,,,,
100.028.164,230-980-7,7391-61-9,"5-ethyl-1,3-dimethylbarbituric acid","5-ethyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1C(=O)N(C)C(=O)N(C)C1=O,CCC1C(=O)N(C)C(=O)N(C)C1=O,"InChI=1/C8H12N2O3/c1-4-5-6(11)9(2)8(13)10(3)7(5)12/h5H,4H2,1-3H3",C8H12N2O3,,,,,,QBCQXNDNMOHQIU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.166,230-982-8,7391-69-7,5-isopropylbarbituric acid,"5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)C1C(=O)NC(=O)NC1=O,CC(C)C1C(=O)NC(=O)NC1=O,"InChI=1/C7H10N2O3/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3-4H,1-2H3,(H2,8,9,10,11,12)",C7H10N2O3,,,,,,GFPIGNBQTXNNAG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.167,230-983-3,7392-19-0,"2,6,6-trimethoxy-2-vinyltetrahydropyran","2,2,6-trimethyl-6-vinyltetrahydro-2H-pyran",CC1(C)CCCC(C)(O1)C=C,CC1(C)CCCC(C)(O1)C=C,"InChI=1/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3",C10H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16867,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.167,NETOHYFTCONTDT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.169,230-985-4,7392-72-5,"N,N,N,N',N'-pentamethyl-N'-octadecyl-N,N'-trimethylenediammonium dichloride","N,N,N,N',N'-pentamethyl-N'-octadecylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)C,[Cl-].[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)C,"InChI=1/C26H58N2.2ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(5,6)26-23-24-27(2,3)4;;/h7-26H2,1-6H3;2*1H/q+2;;/p-2",C26H58N2.2Cl,,,,,,NYBAJADFNDEMBO-UHFFFAOYSA-L,,,,,,,,,,,
100.028.170,230-987-5,7393-43-3,Tetrallylstannane,tetraallylstannane,C=CC[Sn](CC=C)(CC=C)CC=C,C=CC[Sn](CC=C)(CC=C)CC=C,"InChI=1/4C3H5.Sn/c4*1-3-2;/h4*3H,1-2H2;/rC12H20Sn/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H,1-4,9-12H2",C12H20Sn,,,,,,XJPKDRJZNZMJQM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.175,230-992-2,7398-44-9,1-(chloromethyl)-4-(dichloromethyl)benzene,1-(chloromethyl)-4-(dichloromethyl)benzene,ClCc1ccc(cc1)C(Cl)Cl,ClCc1ccc(cc1)C(Cl)Cl,"InChI=1/C8H7Cl3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2",C8H7Cl3,,,,,,VQJFMEVGEQWOFW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.176,230-993-8,7398-69-8,Diallyldimethylammonium chloride,"N-allyl-N,N-dimethylprop-2-en-1-aminium chloride",[Cl-].C[N+](C)(CC=C)CC=C,[Cl-].C[N+](C)(CC=C)CC=C,"InChI=1/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1",C8H16N.Cl,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14691,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.176,GQOKIYDTHHZSCJ-UHFFFAOYSA-M,,,,,,,,,,,
100.025.355,227-891-0,6027-13-0,L-homocysteine,L-homocysteine,N[C@@H](CCS)C(=O)O,N[C@@H](CCS)C(=O)O,"InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)",C4H9NO2S,,,,,,FFFHZYDWPBMWHY-VKHMYHEASA-N,,,,,,,,,,,
100.025.359,227-895-2,6027-71-0,Triacontyl palmitate,triacontyl palmitate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,"InChI=1/C46H92O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-48-46(47)44-42-40-38-36-34-32-16-14-12-10-8-6-4-2/h3-45H2,1-2H3",C46H92O2,,,,,,KMEHEQFDWWYZIO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.361,227-897-3,6027-89-0,L-gulose,L-gulose,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-JGWLITMVSA-N,,,,,,,,,,,
100.025.365,227-901-3,6028-51-9,"O,O-didodecyl hydrogen dithiophosphate","O,O-didodecyl hydrogen dithiophosphate",CCCCCCCCCCCCOP(=S)(S)OCCCCCCCCCCCC,CCCCCCCCCCCCOP(=S)(S)OCCCCCCCCCCCC,"InChI=1/C24H51O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28,29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,28,29)",C24H51O2PS2,,,,,,RZAQYVWTBXBLLW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.368,227-905-5,6030-14-4,Hexyl (R)-12-hydroxyoleate,hexyl 12-hydroxyoctadec-9-enoate,CCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C24H46O3/c1-3-5-7-15-19-23(25)20-16-13-11-9-10-12-14-17-21-24(26)27-22-18-8-6-4-2/h13,16,23,25H,3-12,14-15,17-22H2,1-2H3",C24H46O3,,,,,,KITUJVIGXXGBLV-AONZOJHOSA-N,,,,,,,,,,,
100.019.300,221-228-9,3034-52-4,2-chlorothiazole,"2-chloro-1,3-thiazole",Clc1nccs1,Clc1nccs1,InChI=1/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H,C3H2ClNS,,,,,,KLEYVGWAORGTIT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.305,221-234-1,3036-66-6,"Buta-1,3-dienyl methyl ether","1-methoxybuta-1,3-diene",C=CC=COC,C=CC=COC,"InChI=1/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3",C5H8O,,,,,,KOCUMXQOUWPSLK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.307,221-236-2,3037-72-7,4-(diethoxy(methyl)silyl)butylamine,4-[diethoxy(methyl)silyl]butan-1-amine,CCO[Si](C)(CCCCN)OCC,CCO[Si](C)(CCCCN)OCC,"InChI=1/C9H23NO2Si/c1-4-11-13(3,12-5-2)9-7-6-8-10/h4-10H2,1-3H3",C9H23NO2Si,,,,,,YHFFINXFNYQPQA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.640,217-203-7,1774-35-2,Bis(p-tolyl)sulphoxide,"1,1'-sulfinylbis(4-methylbenzene)",Cc1ccc(cc1)S(=O)c2ccc(C)cc2,Cc1ccc(cc1)S(=O)c2ccc(C)cc2,"InChI=1/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14OS,,,,,,MJWNJEJCQHNDNM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.644,217-207-9,1775-95-7,2-amino-5-nitrobenzophenone,(2-amino-5-nitrophenyl)(phenyl)methanone,Nc1ccc(cc1C(=O)c2ccccc2)[N+](=O)[O-],Nc1ccc(cc1C(=O)c2ccccc2)[N+](=O)[O-],"InChI=1/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2",C13H10N2O3,,,,,,PZPZDEIASIKHPY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.650,217-214-7,1779-10-8,"4,7-dibromo-3-hydroxy-2-naphthoic acid","4,7-dibromo-3-hydroxy-2-naphthoic acid",OC(=O)c1cc2cc(Br)ccc2c(Br)c1O,OC(=O)c1cc2cc(Br)ccc2c(Br)c1O,"InChI=1/C11H6Br2O3/c12-6-1-2-7-5(3-6)4-8(11(15)16)10(14)9(7)13/h1-4,14H,(H,15,16)",C11H6Br2O3,,,,,,WNMKUIQCIRAXBN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.651,217-215-2,1779-19-7,"1,3,6-trioxocane","1,3,6-trioxocane",C1COCOCCO1,C1COCOCCO1,InChI=1/C5H10O3/c1-3-7-5-8-4-2-6-1/h1-5H2,C5H10O3,,,,,,AUAGGMPIKOZAJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.655,217-219-4,1779-51-7,N-butyltriphenylphosphonium chloride,butyl(triphenyl)phosphonium chloride,[Cl-].CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1",C22H24P.Br,,,,,,MFIUDWFSVDFDDY-UHFFFAOYSA-M,,,,,,,,,,,
100.015.656,217-221-5,1779-54-0,[(methylthio)methyl]triphenylphosphonium chloride,[(methylsulfanyl)methyl](triphenyl)phosphonium chloride,[Cl-].CSC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].CSC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H20PS.ClH/c1-22-17-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1",C20H20PS.Cl,,,,,,CREBIKHUZHBYJU-UHFFFAOYSA-M,,,,,,,,,,,
100.015.658,217-223-6,1779-60-8,Propyl acetoacetate,propyl 3-oxobutanoate,CCCOC(=O)CC(=O)C,CCCOC(=O)CC(=O)C,"InChI=1/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3",C7H12O3,,,,,,DHGFMVMDBNLMKT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.661,217-226-2,1780-19-4,"1,2,3,4-tetrahydro-2-methylquinoline","2-methyl-1,2,3,4-tetrahydroquinoline",CC1CCc2ccccc2N1,CC1CCc2ccccc2N1,"InChI=1/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8,11H,6-7H2,1H3",C10H13N,,,,,,JZICUKPOZUKZLL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.667,217-233-0,1783-84-2,"(Z,Z,Z)-icosatri-8,11,14-enoic acid","icosa-8,11,14-trienoic acid",CCCCCC=CCC=CCC=CCCCCCCC(=O)O,CCCCCC=CCC=CCC=CCCCCCCC(=O)O,"InChI=1/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)",C20H34O2,,,,,,HOBAELRKJCKHQD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.669,217-235-1,1784-03-8,Methyl N2-[(p-tolyl)sulphonyl]-L-argininate monohydrochloride,methyl N~2~-[(4-methylphenyl)sulfonyl]argininate hydrochloride,Cl.COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1,Cl.COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1,"InChI=1/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H",C14H22N4O4S.ClH,,,,,,JIQFFACVQXXHMY-YDALLXLXSA-N,,,,,,,,,,,
100.015.670,217-236-7,1784-04-9,Methyl N2-benzoyl-L-argininate monohydrochloride,methyl N~2~-benzoyl-L-argininate hydrochloride,Cl.COC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1,Cl.COC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1,"InChI=1/C14H20N4O3.ClH/c1-21-13(20)11(8-5-9-17-14(15)16)18-12(19)10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9H2,1H3,(H,18,19)(H4,15,16,17);1H",C14H20N4O3.ClH,,,,,,MMZBVARFMVSTCT-MERQFXBCSA-N,,,,,,,,,,,
100.015.671,217-237-2,1784-78-7,"7-chloro-5-cyclohexyl-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one","7-chloro-5-cyclohexyl-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(C2CCCCC2)c3cc(Cl)ccc13,CN1C(=O)CN=C(C2CCCCC2)c3cc(Cl)ccc13,"InChI=1/C16H19ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3",C16H19ClN2O,,,,,,WOWMEMNXULCAKT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.672,217-238-8,1785-51-9,"Pyrene-1,6-dione","pyrene-1,6-dione",O=C1C=Cc2ccc3C(=O)C=Cc4ccc1c2c34,O=C1C=Cc2ccc3C(=O)C=Cc4ccc1c2c34,InChI=1/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H,C16H8O2,,,,,,YFPSDOXLHBDCOR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.558,231-413-6,7539-15-3,Tetraisopentyl thioperoxydiphosphate,-,CC(C)CCOP(=S)(OCCC(C)C)SSP(=S)(OCCC(C)C)OCCC(C)C,CC(C)CCOP(=S)(OCCC(C)C)SSP(=S)(OCCC(C)C)OCCC(C)C,"InChI=1/C20H44O4P2S4/c1-17(2)9-13-21-25(27,22-14-10-18(3)4)29-30-26(28,23-15-11-19(5)6)24-16-12-20(7)8/h17-20H,9-16H2,1-8H3",C20H44O4P2S4,,,,,,AJFYRTKGUONKBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.561,231-416-2,7540-53-6,"3,7-dimethyloct-6-enyl valerate","3,7-dimethyloct-6-en-1-yl valerate",CCCCC(=O)OCCC(C)CCC=C(C)C,CCCCC(=O)OCCC(C)CCC=C(C)C,"InChI=1/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3",C15H28O2,,,,,,PFOJEJPZUVQHEH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.139,230-952-4,7382-29-8,"2,5,8,11-tetraoxatridecane","2,5,8,11-tetraoxatridecane",CCOCCOCCOCCOC,CCOCCOCCOCCOC,"InChI=1/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3",C9H20O4,,,,,,JRRDISHSXWGFRF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.141,230-955-0,7383-51-9,"2-[ethyl[3-methyl-4-[(2,4,5-trichlorophenyl)diazo]phenyl]amino]ethyl acrylate","2-(ethyl{3-methyl-4-[(2,4,5-trichlorophenyl)diazenyl]phenyl}amino)ethyl acrylate",CCN(CCOC(=O)C=C)c1ccc(N=Nc2cc(Cl)c(Cl)cc2Cl)c(C)c1,CCN(CCOC(=O)C=C)c1ccc(N=Nc2cc(Cl)c(Cl)cc2Cl)c(C)c1,"InChI=1/C20H20Cl3N3O2/c1-4-20(27)28-9-8-26(5-2)14-6-7-18(13(3)10-14)24-25-19-12-16(22)15(21)11-17(19)23/h4,6-7,10-12H,1,5,8-9H2,2-3H3",C20H20Cl3N3O2,,,,,,YIJLNNAGCWRDLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.144,230-958-7,7383-90-6,"3,4'-dimethyl-1,1'-biphenyl","3,4'-dimethylbiphenyl",Cc1ccc(cc1)c2cccc(C)c2,Cc1ccc(cc1)c2cccc(C)c2,"InChI=1/C14H14/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14/h3-10H,1-2H3",C14H14,,,,,,RBIDPZJTXCPESJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.149,230-963-4,7385-52-6,3-(hydrazinosulphonyl)benzoic acid,3-(hydrazinosulfonyl)benzoic acid,NNS(=O)(=O)c1cccc(c1)C(=O)O,NNS(=O)(=O)c1cccc(c1)C(=O)O,"InChI=1/C7H8N2O4S/c8-9-14(12,13)6-3-1-2-5(4-6)7(10)11/h1-4,9H,8H2,(H,10,11)",C7H8N2O4S,,,,,,BQHAFKLOEIYFMY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.158,230-973-9,7389-87-9,Methyl L-histidinate dihydrochloride,methyl L-histidinate dihydrochloride,Cl.Cl.COC(=O)[C@@H](N)Cc1c[nH]cn1,Cl.Cl.COC(=O)[C@@H](N)Cc1c[nH]cn1,"InChI=1/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H",C7H11N3O2.2ClH,,,,,,DWAYENIPKPKKMV-ILKKLZGPSA-N,,,,,,,,,,,
100.028.162,230-978-6,7391-39-1,Ethyl 2-cyanohexanoate,ethyl 2-cyanohexanoate,CCCCC(C#N)C(=O)OCC,CCCCC(C#N)C(=O)OCC,"InChI=1/C9H15NO2/c1-3-5-6-8(7-10)9(11)12-4-2/h8H,3-6H2,1-2H3",C9H15NO2,,,,,,YMUSKLAPOQSFAH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.163,230-979-1,7391-48-2,2-(1-oxopropyl)cyclopentan-1-one,2-propionylcyclopentanone,CCC(=O)C1CCCC1=O,CCC(=O)C1CCCC1=O,"InChI=1/C8H12O2/c1-2-7(9)6-4-3-5-8(6)10/h6H,2-5H2,1H3",C8H12O2,,,,,,LYGKNTGKONXCRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.173,230-990-1,7396-58-9,N-methyldidecylamine,N-decyl-N-methyldecan-1-amine,CCCCCCCCCCN(C)CCCCCCCCCC,CCCCCCCCCCN(C)CCCCCCCCCC,"InChI=1/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3",C21H45N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14926,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.173,ATBNMWWDBWBAHM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.178,230-995-9,7399-00-0,Triethoxyoctadecylsilane,triethoxy(octadecyl)silane,CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC,CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1/C24H52O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4/h5-24H2,1-4H3",C24H52O3Si,,,,,,FZMJEGJVKFTGMU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.179,230-996-4,7399-49-7,"O,a-dimethylstyrene",1-isopropenyl-2-methylbenzene,CC(=C)c1ccccc1C,CC(=C)c1ccccc1C,"InChI=1/C10H12/c1-8(2)10-7-5-4-6-9(10)3/h4-7H,1H2,2-3H3",C10H12,,,,,,OGMSGZZPTQNTIK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.180,230-998-5,7399-50-0,2-(1-ethylpropyl)pyridine,2-(1-ethylpropyl)pyridine,CCC(CC)c1ccccn1,CCC(CC)c1ccccn1,"InChI=1/C10H15N/c1-3-9(4-2)10-7-5-6-8-11-10/h5-9H,3-4H2,1-2H3",C10H15N,,,,,,FTYAXYWEDPWJCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.350,227-885-8,6026-42-2,Bis(isopropylamino)dimethylsilane,"N,N'-diisopropyl-1,1-dimethylsilanediamine",CC(C)N[Si](C)(C)NC(C)C,CC(C)N[Si](C)(C)NC(C)C,"InChI=1/C8H22N2Si/c1-7(2)9-11(5,6)10-8(3)4/h7-10H,1-6H3",C8H22N2Si,,,,,,UNOQITWAUFOMKI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.358,227-894-7,6027-42-5,1-deoxy-1-nitro-L-mannitol,1-deoxy-1-nitro-L-mannitol,OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C[N+](=O)[O-],OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C[N+](=O)[O-],"InChI=1/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2",C6H13NO7,,,,,,HOFCJTOUEGMYBT-BXKVDMCESA-N,,,,,,,,,,,
100.025.366,227-902-9,6028-57-5,Aluminium trioctanoate,aluminum trioctanoate,[Al+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Al+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/3C8H16O2.Al/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Al,,,,,,VAROLYSFQDGFMV-UHFFFAOYSA-K,,,,,,,,,,,
100.018.030,219-832-2,2548-85-8,"Docosa-4,8,12,15,19-pentaenoic acid","docosa-4,8,12,15,19-pentaenoic acid",OC(=O)CCC=CCCC=CCCC=CCC=CCCC=CCC,OC(=O)CCC=CCCC=CCCC=CCC=CCCC=CCC,"InChI=1/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,7-8,10-11,14-15,18-19H,2,5-6,9,12-13,16-17,20-21H2,1H3,(H,23,24)",C22H34O2,,,,,,PIFPCDRPHCQLSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.041,219-844-8,3/06/2550,Trichloro(3-chloropropyl)silane,trichloro(3-chloropropyl)silane,ClCCC[Si](Cl)(Cl)Cl,ClCCC[Si](Cl)(Cl)Cl,"InChI=1/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2",C3H6Cl4Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13440,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.041,OOXSLJBUMMHDKW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.049,219-853-7,2551-53-3,Trioctylphosphine sulphide,trioctylphosphine sulfide,CCCCCCCCP(=S)(CCCCCCCC)CCCCCCCC,CCCCCCCCP(=S)(CCCCCCCC)CCCCCCCC,"InChI=1/C24H51PS/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51PS,,,,,,PIOZWDBMINZWGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.542,224-795-0,4498-68-4,Ethyl 1H-indazole-3-carboxylate,ethyl 2H-indazole-3-carboxylate,CCOC(=O)c1[nH]nc2ccccc12,CCOC(=O)c1[nH]nc2ccccc12,"InChI=1/C10H10N2O2/c1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h3-6H,2H2,1H3,(H,11,12)",C10H10N2O2,,,,,,YLKPTYMNELPKOL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.548,224-801-1,4499-91-6,Lithium docosanoate,lithium docosanoate,[Li+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Li+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C22H44O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1",C22H44O2.Li,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/17111,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.548,SDIIFPDBZMCCLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.022.553,224-806-9,4500-01-0,2-hydroxyethyl oleate,2-hydroxyethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCO,CCCCCCCC\C=C/CCCCCCCC(=O)OCCO,"InChI=1/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3",C20H38O3,,,,,,MUHFRORXWCGZGE-KTKRTIGZSA-N,,,,,,,,,,,
100.022.555,224-809-5,4500-29-2,"2,2'-(cyclohexylimino)bisethanol","2,2'-(cyclohexylimino)diethanol",OCCN(CCO)C1CCCCC1,OCCN(CCO)C1CCCCC1,"InChI=1/C10H21NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h10,12-13H,1-9H2",C10H21NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5692,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.555,HHPDFYDITNAMAM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.562,224-816-3,4502-00-5,Sodium 4-methyl-2-oxovalerate,sodium 4-methyl-2-oxopentanoate,[Na+].CC(C)CC(=O)C(=O)[O-],[Na+].CC(C)CC(=O)C(=O)[O-],"InChI=1/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1",C6H10O3.Na,,,,,,IXFAZKRLPPMQEO-UHFFFAOYSA-M,,,,,,,,,,,
100.022.567,224-822-6,4506-66-5,"Benzene-1,2,4,5-tetrayltetraamine tetrahydrochloride","benzene-1,2,4,5-tetramine tetrahydrochloride",Cl.Cl.Cl.Cl.Nc1cc(N)c(N)cc1N,Cl.Cl.Cl.Cl.Nc1cc(N)c(N)cc1N,"InChI=1/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H",C6H10N4.4ClH,,,,,,BZDGCIJWPWHAOF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.569,224-824-7,4507-13-5,Ethyl 2-amino-5-ethyl-3-thenoate,ethyl 2-amino-5-ethylthiophene-3-carboxylate,CCOC(=O)c1cc(CC)sc1N,CCOC(=O)c1cc(CC)sc1N,"InChI=1/C9H13NO2S/c1-3-6-5-7(8(10)13-6)9(11)12-4-2/h5H,3-4,10H2,1-2H3",C9H13NO2S,,,,,,WJZCEFNVWQJNQI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.571,224-826-8,5/09/4509,"Methyl 3,4-epoxybutyrate",methyl oxiran-2-ylacetate,COC(=O)CC1CO1,COC(=O)CC1CO1,"InChI=1/C5H8O3/c1-7-5(6)2-4-3-8-4/h4H,2-3H2,1H3",C5H8O3,,,,,,DQHYBNWZWWGNQB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.577,224-833-6,4512-00-9,"5,6-diphenyl-1,2,4-triazin-3(2H)-one","5,6-diphenyl-1,2,4-triazin-3(2H)-one",O=C1NN=C(C(=N1)c2ccccc2)c3ccccc3,O=C1NN=C(C(=N1)c2ccccc2)c3ccccc3,"InChI=1/C15H11N3O/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)",C15H11N3O,,,,,,VTOJJDGNQGCRLP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.584,224-840-4,4515-30-4,"Sodium 2-chloro-3,5-dinitrobenzenesulphonate","sodium 2-chloro-3,5-dinitrobenzenesulfonate",[Na+].[O-][N+](=O)c1cc(c(Cl)c(c1)S(=O)(=O)[O-])[N+](=O)[O-],[Na+].[O-][N+](=O)c1cc(c(Cl)c(c1)S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C6H3ClN2O7S.Na/c7-6-4(9(12)13)1-3(8(10)11)2-5(6)17(14,15)16;/h1-2H,(H,14,15,16);/q;+1/p-1",C6H3ClN2O7S.Na,,,,,,VZJPOOWAEOUJAB-UHFFFAOYSA-M,,,,,,,,,,,
100.015.903,217-493-5,1871-76-7,a-phenylbenzeneacetyl chloride,diphenylacetyl chloride,ClC(=O)C(c1ccccc1)c2ccccc2,ClC(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H",C14H11ClO,,,,,,MSYLETHDEIJMAF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.904,217-494-0,1871-96-1,Sebaconitrile,sebaconitrile,N#CCCCCCCCCC#N,N#CCCCCCCCCC#N,InChI=1/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2,C10H16N2,,,,,,DFJYZCUIKPGCSG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.913,217-503-8,1874-62-0,"3-ethoxypropane-1,2-diol","3-ethoxypropane-1,2-diol",CCOCC(O)CO,CCOCC(O)CO,"InChI=1/C5H12O3/c1-2-8-4-5(7)3-6/h5-7H,2-4H2,1H3",C5H12O3,,,,,,LOSWWGJGSSQDKH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.920,217-511-1,1877-72-1,m-cyanobenzoic acid,3-cyanobenzoic acid,OC(=O)c1cccc(c1)C#N,OC(=O)c1cccc(c1)C#N,"InChI=1/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)",C8H5NO2,,,,,,GYLKKXHEIIFTJH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.921,217-512-7,1877-73-2,3-nitrophenylacetic acid,(3-nitrophenyl)acetic acid,OC(=O)Cc1cccc(c1)[N+](=O)[O-],OC(=O)Cc1cccc(c1)[N+](=O)[O-],"InChI=1/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)",C8H7NO4,,,,,,WUKHOVCMWXMOOA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.371,227-908-1,2/05/6033,"(5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diyl oleate","17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)CCCCCCC\\C=C/CCCCCCCC)c5O[C@@H]1[C@]2(CCN3C)c45,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)CCCCCCC\C=C/CCCCCCCC)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C53H83NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-48(55)57-46-38-36-43-42-45-44-37-39-47(52-53(44,40-41-54(45)3)50(43)51(46)59-52)58-49(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,36-39,44-45,47,52H,4-17,22-35,40-42H2,1-3H3",C18H34O2.C17H19NO3,,,,,,IVKIIOBQWYMKMT-UAEJITQFSA-N,,,,,,,,,,,
100.025.372,227-909-7,6034-54-4,Sodium N-acetylsulphanilate,sodium 4-acetamidobenzenesulfonate,[Na+].CC(=O)Nc1ccc(cc1)S(=O)(=O)[O-],[Na+].CC(=O)Nc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C8H9NO4S.Na/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1",C8H9NO4S.Na,,,,,,KLNWPSHOGWAXBS-UHFFFAOYSA-M,,,,,,,,,,,
100.027.007,229-706-9,6666-38-2,5-bromo-2'-deoxyuridine 5'-monophosphate,5-bromo-2'-deoxy-5'-O-phosphonatouridine,O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])N2C=C(Br)C(=O)NC2=O,O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])N2C=C(Br)C(=O)NC2=O,"InChI=1/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/p-2",C9H12BrN2O8P,,,,,,LHLHVDBXXZVYJT-RRKCRQDMSA-L,,,,,,,,,,,
100.027.009,229-709-5,6671-49-4,Potassium 4-chloro-3-nitrobenzenesulphonate,potassium 4-chloro-3-nitrobenzenesulfonate,[K+].[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)[O-],[K+].[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)[O-],"InChI=1/C6H4ClNO5S.K/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1",C6H4ClNO5S.K,,,,,,LOEIXPJQKVLCSA-UHFFFAOYSA-M,,,,,,,,,,,
100.027.016,229-716-3,6678-00-8,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-valerate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl valerate",CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C26H38O6/c1-4-5-6-22(30)32-15-21(29)26(31)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h13,18-20,23,28,31H,4-12,14-15H2,1-3H3",C26H38O6,,,,,,XHDMDWMKAYYIRK-FZNHGJLXSA-N,,,,,,,,,,,
100.027.018,229-718-4,6678-15-5,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-heptanoate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl heptanoate",CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C28H42O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h15,20-22,25,30,33H,4-14,16-17H2,1-3H3",C28H42O6,,,,,,QITCVLFQEFWECI-SLPNHVECSA-N,,,,,,,,,,,
100.024.940,227-434-5,5843-53-8,(+)-N-(o-chlorobenzyl)-a-methylphenethylamine hydrochloride,N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride,Cl.CC(Cc1ccccc1)NCc2ccccc2Cl,Cl.CC(Cc1ccccc1)NCc2ccccc2Cl,"InChI=1/C16H18ClN.ClH/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17;/h2-10,13,18H,11-12H2,1H3;1H",C16H18ClN.ClH,,,,,,ASTCUURTJCZRSC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.946,227-440-8,5848-24-8,"1-cyano-2,3-dimethylisothiourea",methyl N-cyano-N'-methylimidothiocarbamate,CS\\C(=N/C)\\NC#N,CS\C(=N/C)\NC#N,"InChI=1/C4H7N3S/c1-6-4(8-2)7-3-5/h1-2H3,(H,6,7)",C4H7N3S,,,,,,MHGGQXIPBPGZFB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.947,227-441-3,5848-56-6,(3-ethoxypropyl)benzene,(3-ethoxypropyl)benzene,CCOCCCc1ccccc1,CCOCCCc1ccccc1,"InChI=1/C11H16O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",C11H16O,,,,,,ONXNQYXHEAKENV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.948,227-442-9,5850-00-0,(dimethylphosphinyl)methanol,(dimethylphosphoryl)methanol,CP(=O)(C)CO,CP(=O)(C)CO,"InChI=1/C3H9O2P/c1-6(2,5)3-4/h4H,3H2,1-2H3",C3H9O2P,,,,,,RQOKIVVUNQCMJS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.954,227-449-7,5850-35-1,"Disodium 4-amino-5-hydroxy-3-[(3-nitrophenyl)azo]-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3-[(3-nitrophenyl)diazenyl]-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1cccc(c1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1cccc(c1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,"InChI=1/C22H16N6O9S2.2Na/c23-19-18-12(10-17(39(35,36)37)21(22(18)29)27-24-13-5-2-1-3-6-13)9-16(38(32,33)34)20(19)26-25-14-7-4-8-15(11-14)28(30)31;;/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C22H16N6O9S2.2Na,,,,,,QCWPZYSLMIXIHM-UHFFFAOYSA-L,,,,,,,,,,,
100.024.955,227-450-2,5850-37-3,"Trisodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4O)S([O-])(=O)=O,"InChI=1/C22H16N6O12S3.3Na/c23-19-18-11(9-16(42(35,36)37)20(19)26-24-12-1-5-14(6-2-12)28(30)31)10-17(43(38,39)40)21(22(18)29)27-25-13-3-7-15(8-4-13)41(32,33)34;;;/h1-10,29H,23H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3",C22H16N6O12S3.3Na,,,,,,DPCLMWZFRAYCIS-UHFFFAOYSA-K,,,,,,,,,,,
100.015.675,217-241-4,1786-08-9,"3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran","4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran",CC(=CC1CC(=CCO1)C)C,CC(=CC1CC(=CCO1)C)C,"InChI=1/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3",C10H16O,,,,,,FRISMOQHTLZZRP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.676,217-243-5,1786-27-2,"Hydroquinone, compound with sulphur dioxide","benzene-1,4-diol - oxosulfane oxide (1:1)",Oc1ccc(O)cc1.O=S=O,Oc1ccc(O)cc1.O=S=O,"InChI=1/C6H6O2.O2S/c7-5-1-2-6(8)4-3-5;1-3-2/h1-4,7-8H;",C6H6O2.xO2S,,,,,,ZGUVVJOTWDTXFR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.678,217-245-6,1786-87-4,Dioxyisophthalic acid,"benzene-1,3-dicarboperoxoic acid",OOC(=O)c1cccc(c1)C(=O)OO,OOC(=O)c1cccc(c1)C(=O)OO,"InChI=1/C8H6O6/c9-7(13-11)5-2-1-3-6(4-5)8(10)14-12/h1-4,11-12H",C8H6O6,,,,,,KXEMXOYVVPLGSD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.683,217-250-3,1787-61-7,Sodium 3-hydroxy-4-[(1-hydroxy-2-naphthyl)azo]-7-nitronaphthalene-1-sulphonate,sodium 3-hydroxy-4-[(1-hydroxy-2-naphthyl)diazenyl]-7-nitronaphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccc(cc34)[N+]([O-])=O,[Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccc(cc34)[N+]([O-])=O,"InChI=1/C20H13N3O7S.Na/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1",C20H13N3O7S.Na,,,,,,AMMWFYKTZVIRFN-UHFFFAOYSA-M,,,,,,,,,,,
100.015.686,217-254-5,1789-33-9,"7-chloro-5-cyclohexyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one","7-chloro-5-cyclohexyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",Clc1ccc2NC(=O)CN=C(C3CCCCC3)c2c1,Clc1ccc2NC(=O)CN=C(C3CCCCC3)c2c1,"InChI=1/C15H17ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,18,19)",C15H17ClN2O,,,,,,PSLXVIRZPPLZRY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.554,249-026-6,28449-43-6,"(17Z)-11ß,21-dihydroxypregna-1,4,17(20)-trien-3-one 21-acetate","11-hydroxy-3-oxopregna-1,4,17-trien-21-yl acetate",CC(=O)OC\\C=C/1\\CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)OC\C=C/1\CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C23H30O4/c1-14(24)27-11-9-15-5-7-19-18-6-4-16-12-17(25)8-10-22(16,2)21(18)20(26)13-23(15,19)3/h8-10,12,18-21,26H,4-7,11,13H2,1-3H3",C23H30O4,,,,,,SXDJNTFEKRMWCP-XEXLYTDQSA-N,,,,,,,,,,,
100.044.559,249-031-3,28454-96-8,"1,4:3,6-dianhydro-D-glucitol monooleate","1,4:3,6-dianhydro-2-O-oleoyl-D-glucitol",CCCCCCCC\\C=C/CCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,"InChI=1/C24H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)29-21-19-28-23-20(25)18-27-24(21)23/h9-10,20-21,23-25H,2-8,11-19H2,1H3",C24H42O5,,,,,,JDRAOGVAQOVDEB-ANOHMWSOSA-N,,,,,,,,,,,
100.044.564,249-037-6,28467-92-7,a-ethylcinnamaldehyde,2-benzylidenebutanal,CC\\C(=C/c1ccccc1)\\C=O,CC\C(=C/c1ccccc1)\C=O,"InChI=1/C11H12O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-9H,2H2,1H3",C11H12O,,,,,,BOCRJYUZWIOMOJ-CSKARUKUSA-N,,,,,,,,,,,
100.044.569,249-042-3,28471-22-9,Trichloro-2-methylpropan-2-ol,"1,1,1-trichloro-2-methylpropan-2-ol",CC(C)(O)C(Cl)(Cl)Cl,CC(C)(O)C(Cl)(Cl)Cl,"InChI=1/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",C4H7Cl3O,,,,,,OSASVXMJTNOKOY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.575,249-049-1,28478-48-0,5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-hydroxy-2-methoxybenzamide monohydrochloride,5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-methoxybenzamide hydrochloride,Cl.CCN1CCCC1CNC(=O)c2cc(Cl)c(O)cc2OC,Cl.CCN1CCCC1CNC(=O)c2cc(Cl)c(O)cc2OC,"InChI=1/C15H21ClN2O3.ClH/c1-3-18-6-4-5-10(18)9-17-15(20)11-7-12(16)13(19)8-14(11)21-2;/h7-8,10,19H,3-6,9H2,1-2H3,(H,17,20);1H",C15H21ClN2O3.ClH,,,,,,FHUKMJGACMEEKS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.578,249-052-8,28482-15-7,"1,1'-(octylimino)dipropan-2-ol","1,1'-(octylimino)dipropan-2-ol",CCCCCCCCN(CC(C)O)CC(C)O,CCCCCCCCN(CC(C)O)CC(C)O,"InChI=1/C14H31NO2/c1-4-5-6-7-8-9-10-15(11-13(2)16)12-14(3)17/h13-14,16-17H,4-12H2,1-3H3",C14H31NO2,,,,,,QNRXIVCOPVCHAA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.583,249-058-0,28505-89-7,2-[(3-acetamidophenyl)(2-cyanoethyl)amino]ethyl acetate,2-[(3-acetamidophenyl)(2-cyanoethyl)amino]ethyl acetate,CC(=O)Nc1cc(ccc1)N(CCOC(C)=O)CCC#N,CC(=O)Nc1cc(ccc1)N(CCOC(C)=O)CCC#N,"InChI=1/C15H19N3O3/c1-12(19)17-14-5-3-6-15(11-14)18(8-4-7-16)9-10-21-13(2)20/h3,5-6,11H,4,8-10H2,1-2H3,(H,17,19)",C15H19N3O3,,,,,,LLFYBLBUVUYAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.591,249-066-4,28524-74-5,2-amino-N-benzyl-4-chloro-5-sulphamoylbenzamide,2-amino-N-benzyl-4-chloro-5-sulfamoylbenzamide,Nc1cc(Cl)c(cc1C(=O)NCc2ccccc2)S(=O)(=O)N,Nc1cc(Cl)c(cc1C(=O)NCc2ccccc2)S(=O)(=O)N,"InChI=1/C14H14ClN3O3S/c15-11-7-12(16)10(6-13(11)22(17,20)21)14(19)18-8-9-4-2-1-3-5-9/h1-7H,8,16H2,(H,18,19)(H2,17,20,21)",C14H14ClN3O3S,,,,,,IEWOHHVSDFBULI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.369,227-906-0,6030-85-9,"12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione phosphate","12'-hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman phosphate (salt)",OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]7(O)N(C5=O)[C@@H](C(C)C)C(=O)N6CCC[C@H]67)C(C)C,OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]7(O)N(C5=O)[C@@H](C(C)C)C(=O)N6CCC[C@H]67)C(C)C,"InChI=1/C31H39N5O5.H3O4P/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);(H3,1,2,3,4)",C31H39N5O5.xH3O4P,,,,,,YVCZHSXMHRDXIC-CWNVUFIVSA-N,,,,,,,,,,,
100.025.370,227-907-6,6032-29-7,Pentan-2-ol,pentan-2-ol,CCCC(C)O,CCCC(C)O,"InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",C5H12O,,,,,,JYVLIDXNZAXMDK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.373,227-910-2,6034-57-7,Aconitine hydrobromide,"8-acetoxy-20-ethyl-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate hydrobromide",Br.CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7,Br.CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7,"InChI=1/C34H47NO11.BrH/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33;/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3;1H",C34H47NO11.BrH,,,,,,QKBOPFIDNJPMBP-SQLJJGNISA-N,,,,,,,,,,,
100.025.374,227-911-8,6034-59-9,"3,6-diamino-10-methylacridinium chloride monohydrochloride","3,6-diamino-10-methylacridinium chloride hydrochloride",Cl.[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,Cl.[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,"InChI=1/C14H13N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;;/h2-8H,1H3,(H3,15,16);2*1H",C14H14N3.ClH.Cl,,,,,,OEGQPXPIKZELFM-UHFFFAOYSA-N,,,,,,,,,,,
100.027.000,229-699-2,6659-76-3,"2,2'-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-3-methylphenyl]imino]bisethanol","2,2'-[(4-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}-3-methylphenyl)imino]diethanol",Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCO)CCO)S(C)(=O)=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCO)CCO)S(C)(=O)=O,"InChI=1/C18H22ClN3O4S/c1-13-11-14(22(7-9-23)8-10-24)3-5-17(13)20-21-18-6-4-15(12-16(18)19)27(2,25)26/h3-6,11-12,23-24H,7-10H2,1-2H3",C18H22ClN3O4S,,,,,,KLMFZVQIWHSLOE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.008,229-707-4,6670-13-9,"4,5-diphenyl-4-oxazoline-2-thione","4,5-diphenyl-1,3-oxazole-2(3H)-thione",S=C1NC(=C(O1)c2ccccc2)c3ccccc3,S=C1NC(=C(O1)c2ccccc2)c3ccccc3,"InChI=1/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)",C15H11NOS,,,,,,NYQSTRUSYDZNHC-UHFFFAOYSA-N,,,,,,,,,,,
100.027.013,229-713-7,6674-22-2,"1,8-diazabicyclo[5.4.0]undec-7-ene","2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine",C1CCN2CCCN=C2CC1,C1CCN2CCCN=C2CC1,InChI=1/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2,C9H16N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10251,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.013,GQHTUMJGOHRCHB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.015,229-715-8,6677-99-2,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-butyrate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl butyrate",CCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C25H36O6/c1-4-5-21(29)31-14-20(28)25(30)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h12,17-19,22,27,30H,4-11,13-14H2,1-3H3",C25H36O6,,,,,,YZNQMPPBWQTLFJ-TUFAYURCSA-N,,,,,,,,,,,
100.027.017,229-717-9,6678-14-4,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-octanoate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl octanoate",CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C29H44O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h16,21-23,26,31,34H,4-15,17-18H2,1-3H3",C29H44O6,,,,,,VWVPRYMOFYIOOZ-KAQKJVHQSA-N,,,,,,,,,,,
100.024.938,227-431-9,5842-00-2,(butylamino)ethanethiol,2-(butylamino)ethanethiol,CCCCNCCS,CCCCNCCS,"InChI=1/C6H15NS/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3",C6H15NS,,,,,,OUMFAUYLXGTBCX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.943,227-437-1,5847-53-0,Tributyl[(diethylthiocarbamoyl)thio]stannane,N-ethyl-N-{[(tributylstannyl)sulfanyl]carbonothioyl}ethanamine,CCCC[Sn](CCCC)(CCCC)SC(=S)N(CC)CC,CCCC[Sn](CCCC)(CCCC)SC(=S)N(CC)CC,"InChI=1/C5H11NS2.3C4H9.Sn/c1-3-6(4-2)5(7)8;3*1-3-4-2;/h3-4H2,1-2H3,(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC17H37NS2Sn/c1-6-11-14-21(15-12-7-2,16-13-8-3)20-17(19)18(9-4)10-5/h6-16H2,1-5H3",C17H37NS2Sn,,,,,,XGLILJKLOLKQLC-UHFFFAOYSA-M,,,,,,,,,,,
100.024.944,227-438-7,5847-55-2,Dibutylbis(stearoyloxy)stannane,dibutyl[bis(stearoyloxy)]stannane,CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/2C18H36O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*2-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC44H88O4Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43(45)47-49(41-11-7-3,42-12-8-4)48-44(46)40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-42H2,1-4H3",C44H88O4Sn,,,,,,YVHDRFKHKGNLNW-UHFFFAOYSA-L,,,,,,,,,,,
100.024.951,227-446-0,5850-15-7,"Disodium 4-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-1-sulphonate","disodium 4-({2,4-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-1-sulfonate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc4ccc(c3ccccc34)S([O-])(=O)=O,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc4ccc(c3ccccc34)S([O-])(=O)=O,"InChI=1/C22H16N4O8S2.2Na/c27-19-11-9-18(22(28)21(19)26-23-13-5-7-14(8-6-13)35(29,30)31)25-24-17-10-12-20(36(32,33)34)16-4-2-1-3-15(16)17;;/h1-12,27-28H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H16N4O8S2.2Na,,,,,,PCUPWMNGSHVQCM-UHFFFAOYSA-L,,,,,,,,,,,
100.015.923,217-514-8,1877-77-6,3-aminobenzyl alcohol,(3-aminophenyl)methanol,Nc1cccc(CO)c1,Nc1cccc(CO)c1,"InChI=1/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5,8H2",C7H9NO,,,,,,OJZQOQNSUZLSMV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.930,217-522-1,1878-67-7,(3-bromophenyl)acetic acid,(3-bromophenyl)acetic acid,OC(=O)Cc1cccc(Br)c1,OC(=O)Cc1cccc(Br)c1,"InChI=1/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7BrO2,,,,,,KYNNBXCGXUOREX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.935,217-527-9,1878-87-1,(2-nitrophenoxy)acetic acid,(2-nitrophenoxy)acetic acid,OC(=O)COc1ccccc1[N+](=O)[O-],OC(=O)COc1ccccc1[N+](=O)[O-],"InChI=1/C8H7NO5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)",C8H7NO5,,,,,,TYHHDWAHJRRYCU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.865,227-350-9,5799-68-8,Methanedisulphonyl dichloride,methanedisulfonyl dichloride,ClS(=O)(=O)CS(=O)(=O)Cl,ClS(=O)(=O)CS(=O)(=O)Cl,"InChI=1/CH2Cl2O4S2/c2-8(4,5)1-9(3,6)7/h1H2",CH2Cl2O4S2,,,,,,DKZQZHQHDMVGHE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.872,227-358-2,5804-73-9,5-acetamido-2-methoxybenzenesulphonyl chloride,5-acetamido-2-methoxybenzenesulfonyl chloride,COc1ccc(NC(=O)C)cc1S(=O)(=O)Cl,COc1ccc(NC(=O)C)cc1S(=O)(=O)Cl,"InChI=1/C9H10ClNO4S/c1-6(12)11-7-3-4-8(15-2)9(5-7)16(10,13)14/h3-5H,1-2H3,(H,11,12)",C9H10ClNO4S,,,,,,VWKRNDWDKNOMAD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.874,227-360-3,5805-27-6,2-heptadecyl-1H-benzimidazole,2-heptadecyl-1H-benzimidazole,CCCCCCCCCCCCCCCCCc1nc2ccccc2[nH]1,CCCCCCCCCCCCCCCCCc1nc2ccccc2[nH]1,"InChI=1/C24H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h17-20H,2-16,21H2,1H3,(H,25,26)",C24H40N2,,,,,,HBTSVVOLHPRTJA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.502,229-152-8,6420-22-0,"Trisodium 5-amino-3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-amino-3-({4'-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,"InChI=1/C34H28N6O11S3.3Na/c1-16-9-18(3-7-26(16)37-39-31-28(53(46,47)48)13-20-11-22(35)5-6-24(20)33(31)41)19-4-8-27(17(2)10-19)38-40-32-29(54(49,50)51)14-21-12-23(52(43,44)45)15-25(36)30(21)34(32)42;;;/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C34H28N6O11S3.3Na,,,,,,GOTIAHMNOFMRFT-UHFFFAOYSA-K,,,,,,,,,,,
100.026.507,229-158-0,6420-33-3,"Tetrasodium 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)","tetrasodium 3-({4-[({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,"InChI=1/C37H32N6O15S4.4Na/c1-19-11-29(31(57-3)17-27(19)42-40-21-13-25-23(35(15-21)61(51,52)53)7-5-9-33(25)59(45,46)47)38-37(44)39-30-12-20(2)28(18-32(30)58-4)43-41-22-14-26-24(36(16-22)62(54,55)56)8-6-10-34(26)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C37H32N6O15S4.4Na,,,,,,JQRFOMXXFJIGMQ-UHFFFAOYSA-J,,,,,,,,,,,
100.026.511,229-162-2,6420-41-3,Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate,trisodium 4-hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonato-2-naphthyl]carbamoyl}amino)-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc7c(c5)cc(c(N=Nc6ccccc6)c7O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc7c(c5)cc(c(N=Nc6ccccc6)c7O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C37H26N6O12S3.3Na/c44-35-29-12-9-25(15-22(29)18-31(57(50,51)52)33(35)42-40-24-4-2-1-3-5-24)38-37(46)39-26-10-13-30-23(16-26)19-32(58(53,54)55)34(36(30)45)43-41-27-8-6-21-17-28(56(47,48)49)11-7-20(21)14-27;;;/h1-19,44-45H,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C37H26N6O12S3.3Na,,,,,,YEMIQCHVWHFHBC-UHFFFAOYSA-K,,,,,,,,,,,
100.026.512,229-163-8,6420-43-5,Trisodium 4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(o-tolyl)azo]-2-naphthyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate,trisodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methylphenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2C)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5C)S([O-])(=O)=O)c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2C)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5C)S([O-])(=O)=O)c6O)S([O-])(=O)=O,"InChI=1/C35H28N6O12S3.3Na/c1-18-5-3-4-6-27(18)38-40-31-29(55(48,49)50)16-20-14-22(7-10-25(20)33(31)42)36-35(44)37-23-8-11-26-21(15-23)17-30(56(51,52)53)32(34(26)43)41-39-28-12-9-24(13-19(28)2)54(45,46)47;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C35H28N6O12S3.3Na,,,,,,ODVNNUKJIZCZPJ-UHFFFAOYSA-K,,,,,,,,,,,
100.024.956,227-451-8,5850-38-4,"Disodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-[(2-phenoxyphenyl)azo]naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-[(2-phenoxyphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc5c(cc4cc(c(N=Nc3ccccc3Oc2ccccc2)c(O)c4c5N)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc5c(cc4cc(c(N=Nc3ccccc3Oc2ccccc2)c(O)c4c5N)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C28H20N6O10S2.2Na/c29-25-24-16(14-22(45(38,39)40)26(25)32-30-17-10-12-18(13-11-17)34(36)37)15-23(46(41,42)43)27(28(24)35)33-31-20-8-4-5-9-21(20)44-19-6-2-1-3-7-19;;/h1-15,35H,29H2,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C28H20N6O10S2.2Na,,,,,,VOQSTTSFXRGBMF-UHFFFAOYSA-L,,,,,,,,,,,
100.024.963,227-459-1,5850-87-3,Barium bis[4-[(2-hydroxy-1-naphthyl)azo]-2-methylbenzenesulphonate],barium bis{4-[(2-hydroxy-1-naphthyl)diazenyl]-2-methylbenzenesulfonate},[Ba+2].[O-]S(=O)(=O)c1ccc(cc1C)N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c1ccc(cc1C)N=Nc2c3ccccc3ccc2O,[Ba+2].[O-]S(=O)(=O)c1ccc(cc1C)N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c1ccc(cc1C)N=Nc2c3ccccc3ccc2O,"InChI=1/2C17H14N2O4S.Ba/c2*1-11-10-13(7-9-16(11)24(21,22)23)18-19-17-14-5-3-2-4-12(14)6-8-15(17)20;/h2*2-10,20H,1H3,(H,21,22,23);/q;;+2/p-2",C17H14N2O4S.1/2Ba,,,,,,DYYWTFWWAKPJGZ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.967,227-463-3,5853-29-2,Cephaeline hydrochloride,"7',10,11-trimethoxyemetan-6'-ol hydrochloride",Cl.CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45,Cl.CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45,"InChI=1/C28H38N2O4.ClH/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;1H",C28H38N2O4.2ClH,,,,,,NWYUGUJIBCMDEB-QJAXAJGISA-N,,,,,,,,,,,
100.024.969,227-465-4,5855-68-5,"2-(4,5-dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid","2-(5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",OS(=O)(=O)c1ccccc1N2N=C(CC2=O)c3ccccc3,OS(=O)(=O)c1ccccc1N2N=C(CC2=O)c3ccccc3,"InChI=1/C15H12N2O4S/c18-15-10-12(11-6-2-1-3-7-11)16-17(15)13-8-4-5-9-14(13)22(19,20)21/h1-9H,10H2,(H,19,20,21)",C15H12N2O4S,,,,,,LJMVVICUDHEKNL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.971,227-468-0,5855-78-7,5-amino-2-chloro-4-sulphobenzoic acid,5-amino-2-chloro-4-sulfobenzoic acid,Nc1cc(C(=O)O)c(Cl)cc1S(=O)(=O)O,Nc1cc(C(=O)O)c(Cl)cc1S(=O)(=O)O,"InChI=1/C7H6ClNO5S/c8-4-2-6(15(12,13)14)5(9)1-3(4)7(10)11/h1-2H,9H2,(H,10,11)(H,12,13,14)",C7H6ClNO5S,,,,,,JGSAMPZLJLDOKW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.972,227-469-6,5855-89-0,"1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol","1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol",OC1CNc2c(C1)ccc3c(O)cccc23,OC1CNc2c(C1)ccc3c(O)cccc23,"InChI=1/C13H13NO2/c15-9-6-8-4-5-10-11(13(8)14-7-9)2-1-3-12(10)16/h1-5,9,14-16H,6-7H2",C13H13NO2,,,,,,DTAFUEOJPSQELT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.974,227-471-7,5855-98-1,2-(4-amino-3-sulphophenyl)-6-methylbenzothiazole-7-sulphonic acid,"2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid",Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)c(c3)S(=O)(=O)O,Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)c(c3)S(=O)(=O)O,"InChI=1/C14H12N2O6S3/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)8-3-4-9(15)11(6-8)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)",C14H12N2O6S3,,,,,,ANZCWTMNWQPOQI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.570,231-426-7,7545-23-5,"N,N-bis(2-hydroxyethyl)myristamide","N,N-bis(2-hydroxyethyl)tetradecanamide",CCCCCCCCCCCCCC(=O)N(CCO)CCO,CCCCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)19(14-16-20)15-17-21/h20-21H,2-17H2,1H3",C18H37NO3,,,,,,SKDZEPBJPGSFHS-UHFFFAOYSA-N,Positive,LIT00007,,,106:298:316,Literature_Specs,,,,,
100.028.571,231-427-2,7545-24-6,"N,N-bis(2-hydroxyethyl)hexadecan-1-amide","N,N-bis(2-hydroxyethyl)hexadecanamide",CCCCCCCCCCCCCCCC(=O)N(CCO)CCO,CCCCCCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)21(16-18-22)17-19-23/h22-23H,2-19H2,1H3",C20H41NO3,,,,,,VJESJEJNMGVQLZ-UHFFFAOYSA-N,Positive,LIT00006,,,326:106:344,Literature_Specs,,,,,
100.028.574,231-430-9,7546-30-7,Mercury chloride,mercury dichloride,[Cl-].[Hg+],[Cl-].[Hg+],InChI=1/ClH.Hg/h1H;/q;+2/p-1,ClHg,,,,,,RCTYPNKXASFOBE-UHFFFAOYSA-M,,,,,,,,,,,
100.028.582,231-439-8,7550-35-8,Lithium bromide,lithium bromide,[Li+].[Br-],[Li+].[Br-],InChI=1/BrH.Li/h1H;/q;+1/p-1,BrLi,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13642,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.582,AMXOYNBUYSYVKV-UHFFFAOYSA-M,,,,,,,,,,,
100.028.584,231-441-9,7550-45-0,Titanium tetrachloride,titanium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2],[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2],InChI=1/4ClH.2Ti/h4*1H;;/q;;;;2*+2/p-4,Cl4Ti,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15171,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.584,VAFCUHCJUCJSBI-UHFFFAOYSA-J,,,,,,,,,,,
100.028.590,231-448-7,7558-79-4,Disodium hydrogenorthophosphate,disodium hydrogen phosphate,[Na+].[Na+].OP(=O)([O-])[O-],[Na+].[Na+].OP(=O)([O-])[O-],"InChI=1/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",H3O4P.2Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14974,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.590,BNIILDVGGAEEIG-UHFFFAOYSA-L,,,,,,,,,,,
100.028.594,231-452-9,7560-64-7,4-methylcyclohex-3-enecarbaldehyde,4-methylcyclohex-3-ene-1-carbaldehyde,CC1=CCC(CC1)C=O,CC1=CCC(CC1)C=O,"InChI=1/C8H12O/c1-7-2-4-8(6-9)5-3-7/h2,6,8H,3-5H2,1H3",C8H12O,,,,,,YPHGCKOZJCGDTF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.595,231-453-4,7560-83-0,N-cyclohexyl-N-methylcyclohexylamine,N-cyclohexyl-N-methylcyclohexanamine,CN(C1CCCCC1)C2CCCCC2,CN(C1CCCCC1)C2CCCCC2,"InChI=1/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3",C13H25N,,,,,,GSCCALZHGUWNJW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.594,249-070-6,28535-81-1,"Methyl 3-a,7-a-diacetoxy-12-oxo-5-ß-cholan-24-oate","methyl 3,7-diacetoxy-12-oxocholan-24-oate",COC(=O)CCC(C)C1CCC2C3C(CC4CC(CCC4(C)C3CC(=O)C12C)OC(=O)C)OC(=O)C,COC(=O)CCC(C)C1CCC2C3C(CC4CC(CCC4(C)C3CC(=O)C12C)OC(=O)C)OC(=O)C,"InChI=1/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3",C29H44O7,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8334,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.594,GVIZCQOBODPSLY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.009,224-209-3,4248-19-5,tert-butyl carbamate,tert-butyl carbamate,CC(C)(C)OC(=O)N,CC(C)(C)OC(=O)N,"InChI=1/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)",C5H11NO2,,,,,,LFKDJXLFVYVEFG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.015,224-216-1,4251-23-4,"2,3,5,6-tetramethylbenzene-1,4-diethylamine","2,2'-(2,3,5,6-tetramethyl-1,4-phenylene)diethanamine",Cc1c(C)c(CCN)c(C)c(C)c1CCN,Cc1c(C)c(CCN)c(C)c(C)c1CCN,"InChI=1/C14H24N2/c1-9-10(2)14(6-8-16)12(4)11(3)13(9)5-7-15/h5-8,15-16H2,1-4H3",C14H24N2,,,,,,QIQFBRQQQBFQBX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.021,224-222-4,4253-64-9,1-carboxyethyl stearate,2-(stearoyloxy)propanoic acid,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)O,"InChI=1/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h19H,3-18H2,1-2H3,(H,23,24)",C21H40O4,,,,,,QMGGUIASDZZMHS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.022,224-224-5,4253-76-3,"N-octadecylpropane-1,3-diamine","N-octadecylpropane-1,3-diamine",CCCCCCCCCCCCCCCCCCNCCCN,CCCCCCCCCCCCCCCCCCNCCCN,"InChI=1/C21H46N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h23H,2-22H2,1H3",C21H46N2,,,,,,DXYUWQFEDOQSQY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.025,224-227-1,4253-91-2,"1,1'-sulphinylbispropane","1,1'-sulfinyldipropane",CCCS(=O)CCC,CCCS(=O)CCC,"InChI=1/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3",C6H14OS,,,,,,BQCCJWMQESHLIT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.031,224-233-4,4258-46-2,"3-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]propionic acid","3-[2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoic acid",CCCCCCCCCCCC1=NCCN1CCOCCC(=O)O,CCCCCCCCCCCC1=NCCN1CCOCCC(=O)O,"InChI=1/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-18-20-13-14-21(18)15-17-24-16-12-19(22)23/h2-17H2,1H3,(H,22,23)",C19H36N2O3,,,,,,OURQEILTTSQHJV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.034,224-237-6,4261-67-0,3-chloro-2-methylpropyl(dimethyl)ammonium chloride,"3-chloro-N,N,2-trimethylpropan-1-aminium chloride",[Cl-].CC(CCl)C[NH+](C)C,[Cl-].CC(CCl)C[NH+](C)C,"InChI=1/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H",C6H14ClN.ClH,,,,,,SOMIBONUMGNAEP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.038,224-241-8,4261-80-7,2-ethylhexyl 5-oxo-L-prolinate,2-ethylhexyl 5-oxo-L-prolinate,CCCCC(CC)COC(=O)[C@@H]1CCC(=O)N1,CCCCC(CC)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C13H23NO3/c1-3-5-6-10(4-2)9-17-13(16)11-7-8-12(15)14-11/h10-11H,3-9H2,1-2H3,(H,14,15)",C13H23NO3,,,,,,YEMWTVRIHVDMPF-DTIOYNMSSA-N,,,,,,,,,,,
100.022.044,224-248-6,4265-16-1,Benzofuran-2-carboxaldehyde,1-benzofuran-2-carbaldehyde,O=Cc1oc2ccccc2c1,O=Cc1oc2ccccc2c1,InChI=1/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H,C9H6O2,,,,,,ADDZHRRCUWNSCS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.045,224-249-1,4265-25-2,2-methylbenzofuran,2-methyl-1-benzofuran,Cc1oc2ccccc2c1,Cc1oc2ccccc2c1,"InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3",C9H8O,,,,,,GBGPVUAOTCNZPT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.048,224-252-8,4265-97-8,Heptyl octanoate,heptyl octanoate,CCCCCCCOC(=O)CCCCCCC,CCCCCCCOC(=O)CCCCCCC,"InChI=1/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3",C15H30O2,,,,,,TZXWLJYLYILFGM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.049,224-253-3,4/05/4267,Teclothiazide,"6-chloro-3-(trichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)(Cl)Cl)cc1Cl,NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)(Cl)Cl)cc1Cl,"InChI=1/C8H7Cl4N3O4S2/c9-3-1-4-6(2-5(3)20(13,16)17)21(18,19)15-7(14-4)8(10,11)12/h1-2,7,14-15H,(H2,13,16,17)",C8H7Cl4N3O4S2,,,,,,GUTZRTRUIMWMJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.316,221-246-7,3041-23-4,Trioctadecylaluminium,trioctadecylaluminum,CCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC,"InChI=1/3C18H37.Al/c3*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3*1,3-18H2,2H3;/rC54H111Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3",C54H111Al,,,,,,FPTXIDMSUMCELA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.317,221-247-2,3042-69-1,1-cyclohexylnaphthalene,1-cyclohexylnaphthalene,C1CCC(CC1)c2cccc3ccccc23,C1CCC(CC1)c2cccc3ccccc23,"InChI=1/C16H18/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h4-6,9-13H,1-3,7-8H2",C16H18,,,,,,RAYZALBEMJMGEA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.324,221-255-6,3047-33-4,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione, trisodium salt","1,3,5-triazine-2,4,6(1H,3H,5H)-trione, trisodium salt",[Na+].[Na+].[Na+].O=C1NC(=O)NC(=O)N1,[Na+].[Na+].[Na+].O=C1NC(=O)NC(=O)N1,"InChI=1/C3H3N3O3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1",C3H3N3O3.3Na,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6044,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.324,HWASUGAGLDBXHL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.328,221-259-8,3048-64-4,5-vinylnorborn-2-ene,5-vinylbicyclo[2.2.1]hept-2-ene,C=CC1CC2CC1C=C2,C=CC1CC2CC1C=C2,"InChI=1/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7-9H,1,5-6H2",C9H12,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11345,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.328,INYHZQLKOKTDAI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.958,227-453-9,5850-41-9,"Disodium 4-amino-5-hydroxy-3-[(2-methyl-5-nitrophenyl)azo]-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3-[(2-methyl-5-nitrophenyl)diazenyl]-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c4cc(N=Nc1c(N)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2)c3O)S([O-])(=O)=O)c(C)cc4,[Na+].[Na+].[O-][N+](=O)c4cc(N=Nc1c(N)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2)c3O)S([O-])(=O)=O)c(C)cc4,"InChI=1/C23H18N6O9S2.2Na/c1-12-7-8-15(29(31)32)11-16(12)26-27-21-17(39(33,34)35)9-13-10-18(40(36,37)38)22(23(30)19(13)20(21)24)28-25-14-5-3-2-4-6-14;;/h2-11,30H,24H2,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C23H18N6O9S2.2Na,,,,,,BLEFYVHZRHIJLJ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.975,227-472-2,5855-99-2,"2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methylbenzothiazole-7-sulphonic acid","6-methyl-2-[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)phenyl]-1,3-benzothiazole-7-sulfonic acid",CC1=NN(C(=O)C1)c2ccc(cc2)c3nc4ccc(C)c(c4s3)S(=O)(=O)O,CC1=NN(C(=O)C1)c2ccc(cc2)c3nc4ccc(C)c(c4s3)S(=O)(=O)O,"InChI=1/C18H15N3O4S2/c1-10-3-8-14-16(17(10)27(23,24)25)26-18(19-14)12-4-6-13(7-5-12)21-15(22)9-11(2)20-21/h3-8H,9H2,1-2H3,(H,23,24,25)",C18H15N3O4S2,,,,,,IHXSKOQMJPMEFP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.577,231-434-0,7549-37-3,"1,1-dimethoxy-3,7-dimethylocta-2,6-diene","1,1-dimethoxy-3,7-dimethylocta-2,6-diene",COC(C=C(C)CC\\C=C(/C)C)OC,COC(C=C(C)CC\C=C(/C)C)OC,"InChI=1/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3",C12H22O2,,,,,,ZSKAJFSSXURRGL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.585,231-442-4,7553-56-2,Iodine,iodine,II,II,InChI=1/I2/c1-2,I2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15294,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.585,PNDPGZBMCMUPRI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.586,231-444-5,3/12/7554,Diethyl malate,diethyl malate,CCOC(=O)CC(O)C(=O)OCC,CCOC(=O)CC(O)C(=O)OCC,"InChI=1/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3",C8H14O5,,,,,,VKNUORWMCINMRB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.596,231-455-5,8/04/7561,Vinyl dichloroacetate,vinyl dichloroacetate,ClC(Cl)C(=O)OC=C,ClC(Cl)C(=O)OC=C,"InChI=1/C4H4Cl2O2/c1-2-8-4(7)3(5)6/h2-3H,1H2",C4H4Cl2O2,,,,,,ZBCLTORTGNOIGM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.601,231-460-2,7563-42-0,"5-ethyl-5-(sec-pentyl)barbituric acid, calcium salt","[5-ethyl-2,6-di(hydroxy-kappaO)-5-(1-methylbutyl)pyrimidin-4(5H)-onato(2-)]calcium",CCCC(C)C1(CC)C(=O)N=C2O[Ca]OC1=N2,CCCC(C)C1(CC)C(=O)N=C2O[Ca]OC1=N2,"InChI=1/C11H18N2O3.Ca/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+2/p-2",C11H18N2O3.xCa,,,,,,AJZCPCVZCDQEFK-UHFFFAOYSA-L,,,,,,,,,,,
100.028.609,231-469-1,7568-93-6,a-(aminomethyl)benzyl alcohol,2-amino-1-phenylethanol,NCC(O)c1ccccc1,NCC(O)c1ccccc1,"InChI=1/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2",C8H11NO,,,,,,ULSIYEODSMZIPX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.610,231-470-7,7570-41-4,5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid,"[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",OC(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,OC(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,"InChI=1/C14H12N2O3S3/c1-2-15-8-5-3-4-6-9(8)21-13(15)11-12(19)16(7-10(17)18)14(20)22-11/h3-6H,2,7H2,1H3,(H,17,18)",C14H12N2O3S3,,,,,,JIGTUJHXEHURKA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.612,231-472-8,7575-23-7,Pentaerythritol tetrakis(3-mercaptopropionate),"3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate (non-preferred name)",SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,"InChI=1/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2",C17H28O8S4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10120,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.612,JOBBTVPTPXRUBP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.182,231-000-0,7400-08-0,4-hydroxycinnamic acid,3-(4-hydroxyphenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(O)cc1,OC(=O)\C=C\c1ccc(O)cc1,"InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",C9H8O3,,,,,,NGSWKAQJJWESNS-ZZXKWVIFSA-N,,,,,,,,,,,
100.028.185,231-003-7,7401-69-6,"Trisodium 7-hydroxy-8-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-1,3-disulphonate","trisodium 7-hydroxy-8-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C22H16N4O10S3.3Na/c27-19-10-1-13-11-18(38(31,32)33)12-20(39(34,35)36)21(13)22(19)26-25-15-4-2-14(3-5-15)23-24-16-6-8-17(9-7-16)37(28,29)30;;;/h1-12,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3",C22H16N4O10S3.3Na,,,,,,YWTJBEGMPYZQNB-UHFFFAOYSA-K,,,,,,,,,,,
100.028.187,231-005-8,7402-29-1,3-phenylpropyl butyrate,3-phenylpropyl butyrate,CCCC(=O)OCCCc1ccccc1,CCCC(=O)OCCCc1ccccc1,"InChI=1/C13H18O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3",C13H18O2,,,,,,IWBHCESPSIQPME-UHFFFAOYSA-N,,,,,,,,,,,
100.026.521,229-173-2,6421-84-7,5-[(2-amino-4-sulphophenyl)sulphonyl]salicylic acid,5-[(2-amino-4-sulfophenyl)sulfonyl]-2-hydroxybenzoic acid,Nc1cc(ccc1S(=O)(=O)c2ccc(O)c(c2)C(=O)O)S(=O)(=O)O,Nc1cc(ccc1S(=O)(=O)c2ccc(O)c(c2)C(=O)O)S(=O)(=O)O,"InChI=1/C13H11NO8S2/c14-10-6-8(24(20,21)22)2-4-12(10)23(18,19)7-1-3-11(15)9(5-7)13(16)17/h1-6,15H,14H2,(H,16,17)(H,20,21,22)",C13H11NO8S2,,,,,,WAGGRALYROLUGE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.526,229-179-5,9/06/6423,Magnesium bis(3-methylbutan-1-olate),magnesium bis(3-methylbutan-1-olate),[Mg+2].CC(C)CC[O-].CC(C)CC[O-],[Mg+2].CC(C)CC[O-].CC(C)CC[O-],"InChI=1/2C5H11O.Mg/c2*1-5(2)3-4-6;/h2*5H,3-4H2,1-2H3;/q2*-1;+2",C5H12O.1/2Mg,,,,,,XMJIXFFUDPJGMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.010,225-311-0,4769-96-4,6-nitro-1H-indole,6-nitro-1H-indole,[O-][N+](=O)c1ccc2cc[nH]c2c1,[O-][N+](=O)c1ccc2cc[nH]c2c1,"InChI=1/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H",C8H6N2O2,,,,,,PSWCIARYGITEOY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.011,225-312-6,8/08/4771,3'-nitrobenzanilide,N-(3-nitrophenyl)benzamide,[O-][N+](=O)c1cccc(NC(=O)c2ccccc2)c1,[O-][N+](=O)c1cccc(NC(=O)c2ccccc2)c1,"InChI=1/C13H10N2O3/c16-13(10-5-2-1-3-6-10)14-11-7-4-8-12(9-11)15(17)18/h1-9H,(H,14,16)",C13H10N2O3,,,,,,WLUMOMGZPNOSOG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.013,225-314-7,4771-80-6,Cyclohex-3-ene-1-carboxylic acid,cyclohex-3-ene-1-carboxylic acid,OC(=O)C1CCC=CC1,OC(=O)C1CCC=CC1,"InChI=1/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)",C7H10O2,,,,,,VUSWCWPCANWBFG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.016,225-317-3,4774-33-8,"N,N',N''-methylidynetrisformamide","N,N',N''-methanetriyltriformamide",O=CNC(NC=O)NC=O,O=CNC(NC=O)NC=O,"InChI=1/C4H7N3O3/c8-1-5-4(6-2-9)7-3-10/h1-4H,(H,5,8)(H,6,9)(H,7,10)",C4H7N3O3,,,,,,HNPCDFJZADHNHD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.021,225-323-6,4779-94-6,Norfenefrine hydrochloride,3-(2-amino-1-hydroxyethyl)phenol hydrochloride,Cl.NCC(O)c1cccc(O)c1,Cl.NCC(O)c1cccc(O)c1,"InChI=1/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H",C8H11NO2.ClH,,,,,,OWMFSWZUAWKDRR-UHFFFAOYSA-N,,,,,,,,,,,
100.023.023,225-325-7,4782-14-3,"2,2'-(vinylenedi-p-phenylene)bis[5-ethylbenzoxazole]","2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(5-ethyl-1,3-benzoxazole)",CCc1ccc2oc(nc2c1)c3ccc(C=Cc4ccc(cc4)c5oc6ccc(CC)cc6n5)cc3,CCc1ccc2oc(nc2c1)c3ccc(C=Cc4ccc(cc4)c5oc6ccc(CC)cc6n5)cc3,"InChI=1/C32H26N2O2/c1-3-21-11-17-29-27(19-21)33-31(35-29)25-13-7-23(8-14-25)5-6-24-9-15-26(16-10-24)32-34-28-20-22(4-2)12-18-30(28)36-32/h5-20H,3-4H2,1-2H3",C32H26N2O2,,,,,,HKBGSSCSIKGLCB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.024,225-326-2,4782-17-6,"2,2'-(vinylenedi-p-phenylene)bis[5-tert-octylbenzoxazole]","2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis[5-(1,1,3,3-tetramethylbutyl)-1,3-benzoxazole]",CC(C)(C)CC(C)(C)c1ccc2oc(nc2c1)c3ccc(C=Cc4ccc(cc4)c5oc6ccc(cc6n5)C(C)(C)CC(C)(C)C)cc3,CC(C)(C)CC(C)(C)c1ccc2oc(nc2c1)c3ccc(C=Cc4ccc(cc4)c5oc6ccc(cc6n5)C(C)(C)CC(C)(C)C)cc3,"InChI=1/C44H50N2O2/c1-41(2,3)27-43(7,8)33-21-23-37-35(25-33)45-39(47-37)31-17-13-29(14-18-31)11-12-30-15-19-32(20-16-30)40-46-36-26-34(22-24-38(36)48-40)44(9,10)28-42(4,5)6/h11-26H,27-28H2,1-10H3",C44H50N2O2,,,,,,ORAOYEJFZNXENT-UHFFFAOYSA-N,,,,,,,,,,,
100.023.031,225-334-6,3/07/4785,Uridylyl-(5'<U+2192>3')-guanosine,-,NC1=Nc2c(ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=O)NC5=O)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=O)NC5=O)C3O)C(=O)N1,"InChI=1/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)17-12(31)13(6(3-27)37-17)39-40(34,35)36-4-7-10(29)11(30)16(38-7)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)",C19H24N7O13P,,,,,,HQXUOLIEBGPXRE-UHFFFAOYSA-N,,,,,,,,,,,
100.023.038,225-341-4,4792-15-8,"3,6,9,12-tetraoxatetradecane-1,14-diol","3,6,9,12-tetraoxatetradecane-1,14-diol",OCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCO,"InChI=1/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2",C10H22O6,,,,,,JLFNLZLINWHATN-UHFFFAOYSA-N,,,,,,,,,,,
100.023.047,225-351-9,4795-29-3,Tetrahydrofurfurylamine,1-(tetrahydrofuran-2-yl)methanamine,NCC1CCCO1,NCC1CCCO1,"InChI=1/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2",C5H11NO,,,,,,YNOGYQAEJGADFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.056,225-361-3,4801-27-8,2-bromoethyl chloroformate,2-bromoethyl chlorocarbonate,ClC(=O)OCCBr,ClC(=O)OCCBr,InChI=1/C3H4BrClO2/c4-1-2-7-3(5)6/h1-2H2,C3H4BrClO2,,,,,,ZLCKDYMZBZNBMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.057,225-362-9,4801-58-5,Piperidin-1-ol,piperidin-1-ol,ON1CCCCC1,ON1CCCCC1,"InChI=1/C5H11NO/c7-6-4-2-1-3-5-6/h7H,1-5H2",C5H11NO,,,,,,LKPFBGKZCCBZDK-UHFFFAOYSA-N,,,,,,,,,,,
100.023.058,225-363-4,4802-20-4,"ß,4-dimethyl-3-mercaptocyclohexaneethylthiol",2-methyl-5-(1-methyl-2-sulfanylethyl)cyclohexanethiol,CC(CS)C1CCC(C)C(S)C1,CC(CS)C1CCC(C)C(S)C1,"InChI=1/C10H20S2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3",C10H20S2,,,,,,SUNXFMPZAFGPFW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.451,231-296-1,7487-28-7,"2,2'-[oxybis(methylene)]bis[2-methyloxirane]","2,2'-[oxybis(methylene)]bis(2-methyloxirane)",CC1(COCC2(C)CO2)CO1,CC1(COCC2(C)CO2)CO1,"InChI=1/C8H14O3/c1-7(5-10-7)3-9-4-8(2)6-11-8/h3-6H2,1-2H3",C8H14O3,,,,,,FPFZKFZYQYTAHO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.600,231-459-7,7563-37-3,Heptanoate,heptanoate,CCCCCCC(=O)[O-],CCCCCCC(=O)[O-],"InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1",C7H13O2,,,,,,MNWFXJYAOYHMED-UHFFFAOYSA-M,,,,,,,,,,,
100.028.604,231-463-9,7564-51-4,"2,5-dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide","3-methyl-1-phenyl-2,5-dihydro-1H-phosphole 1-oxide",CC1=CCP(=O)(C1)c2ccccc2,CC1=CCP(=O)(C1)c2ccccc2,"InChI=1/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3",C11H13OP,,,,,,DBZGWWBWDYGSRA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.606,231-466-5,7564-64-9,"3-methylpentane-1,3,5-triol","3-methylpentane-1,3,5-triol",CC(O)(CCO)CCO,CC(O)(CCO)CCO,"InChI=1/C6H14O3/c1-6(9,2-4-7)3-5-8/h7-9H,2-5H2,1H3",C6H14O3,,,,,,AHHQDHCTHYTBSV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.608,231-468-6,7568-58-3,"Tributyl prop-1-ene-1,2,3-tricarboxylate","tributyl prop-1-ene-1,2,3-tricarboxylate",CCCCOC(=O)C(=CC(=O)OCCCC)CC(=O)OCCCC,CCCCOC(=O)C(=CC(=O)OCCCC)CC(=O)OCCCC,"InChI=1/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3",C18H30O6,,,,,,BANLNYYTSYHBAP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.613,231-473-3,7575-35-1,"2,2'-(4-aminophenylimino)diethanol","2,2'-[(4-aminophenyl)imino]diethanol",Nc1ccc(cc1)N(CCO)CCO,Nc1ccc(cc1)N(CCO)CCO,"InChI=1/C10H16N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1-4,13-14H,5-8,11H2",C10H16N2O2,,,,,,ISCYHXYLVTWDJT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.183,231-001-6,7400-27-3,tert-butylhydrazine monohydrochloride,tert-butylhydrazine hydrochloride,Cl.CC(C)(C)NN,Cl.CC(C)(C)NN,"InChI=1/C4H12N2.ClH/c1-4(2,3)6-5;/h6H,5H2,1-3H3;1H",C4H12N2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12290,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.183,DDPWVABNMBRBFI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.197,231-016-8,7408-66-4,2-chloro-6-isopropyl-m-cresol,2-chloro-6-isopropyl-3-methylphenol,CC(C)c1ccc(C)c(Cl)c1O,CC(C)c1ccc(C)c(Cl)c1O,"InChI=1/C10H13ClO/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,12H,1-3H3",C10H13ClO,,,,,,ZBELFWZTAZVRLL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.198,231-017-3,7408-81-3,12-(methylamino)dodecanoic acid,12-(methylamino)dodecanoic acid,CNCCCCCCCCCCCC(=O)O,CNCCCCCCCCCCCC(=O)O,"InChI=1/C13H27NO2/c1-14-12-10-8-6-4-2-3-5-7-9-11-13(15)16/h14H,2-12H2,1H3,(H,15,16)",C13H27NO2,,,,,,XTXRYZLZPWMJBM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.199,231-018-9,7411-49-6,"Biphenyl-3,3',4,4'-tetrayltetraammonium tetrachloride","biphenyl-3,3',4,4'-tetraminium tetrachloride",[Cl-].[Cl-].[Cl-].[Cl-].[NH3+]c1ccc(cc1[NH3+])c2ccc([NH3+])c([NH3+])c2,[Cl-].[Cl-].[Cl-].[Cl-].[NH3+]c1ccc(cc1[NH3+])c2ccc([NH3+])c([NH3+])c2,"InChI=1/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H",C12H14N4.4ClH,,,,,,KJDSORYAHBAGPP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.203,231-023-6,7413-36-7,Nifenalol,2-(isopropylamino)-1-(4-nitrophenyl)ethanol,CC(C)NCC(O)c1ccc(cc1)[N+](=O)[O-],CC(C)NCC(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H16N2O3/c1-8(2)12-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-6,8,11-12,14H,7H2,1-2H3",C11H16N2O3,,,,,,UAORFCGRZIGNCI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.205,231-025-7,7414-83-7,Disodium dihydrogen (1-hydroxyethylidene)bisphosphonate,"disodium dihydrogen (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[Na+].[Na+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[Na+].[Na+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-4",C2H8O7P2.2Na,,,,,,GWBBVOVXJZATQQ-UHFFFAOYSA-J,,,,,,,,,,,
100.028.212,231-033-0,7417-48-3,"3-methylpenta-1,2-diene","3-methylpenta-1,2-diene",CCC(=C=C)C,CCC(=C=C)C,"InChI=1/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3",C6H10,,,,,,INFFCVIZNSUFGK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.214,231-035-1,7418-16-8,"4,4'-(1-methylethylidene)biscyclohexan-1-one","4,4'-propane-2,2-diyldicyclohexanone",CC(C)(C1CCC(=O)CC1)C2CCC(=O)CC2,CC(C)(C1CCC(=O)CC1)C2CCC(=O)CC2,"InChI=1/C15H24O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-12H,3-10H2,1-2H3",C15H24O2,,,,,,HAWVCXABNZBPED-UHFFFAOYSA-N,,,,,,,,,,,
100.028.218,231-039-3,7420-18-0,N-amidinomorpholine-4-carboxamidine hydrochloride,N-carbamimidoylmorpholine-4-carboximidamide hydrochloride,Cl.NC(=N)NC(=N)N1CCOCC1,Cl.NC(=N)NC(=N)N1CCOCC1,"InChI=1/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H",C6H13N5O.xClH,,,,,,FXYZDFSNBBOHTA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.223,231-045-6,7422-52-8,"1,1,1,3,5,5,5-heptamethyl-3-[3-(oxiranylmethoxy)propyl]trisiloxane","1,1,1,3,5,5,5-heptamethyl-3-[3-(oxiran-2-ylmethoxy)propyl]trisiloxane",C[Si](C)(C)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C,"InChI=1/C13H32O4Si3/c1-18(2,3)16-20(7,17-19(4,5)6)10-8-9-14-11-13-12-15-13/h13H,8-12H2,1-7H3",C13H32O4Si3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18272,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.223,YSIQPJVFCSCUMU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.227,231-049-8,7423-92-9,2-hydroxy-3-phenyl-L-alanine,alpha-hydroxy-L-phenylalanine,N[C@@](O)(Cc1ccccc1)C(=O)O,N[C@@](O)(Cc1ccccc1)C(=O)O,"InChI=1/C9H11NO3/c10-9(13,8(11)12)6-7-4-2-1-3-5-7/h1-5,13H,6,10H2,(H,11,12)",C9H11NO3,,,,,,FOKAJXKQSPGMLN-SECBINFHSA-N,,,,,,,,,,,
100.019.329,221-260-3,3048-65-5,"3a,4,7,7a-tetrahydro-1H-indene","3a,4,7,7a-tetrahydro-1H-indene",C1C=CCC2C=CCC12,C1C=CCC2C=CCC12,"InChI=1/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6,8-9H,4-5,7H2",C9H12,,,,,,UFERIGCCDYCZLN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.333,221-265-0,3050-69-9,Vinyl hexanoate,vinyl hexanoate,CCCCCC(=O)OC=C,CCCCCC(=O)OC=C,"InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3",C8H14O2,,,,,,LZWYWAIOTBEZFN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.336,221-268-7,3051-84-1,Uridylyl(5'<U+2192>3')adenosine,-,Nc1ncnc2c1ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=O)NC5=O)C3O,Nc1ncnc2c1ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=O)NC5=O)C3O,"InChI=1/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)18-13(31)14(7(3-27)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)",C19H24N7O12P,,,,,,RNNPIPQLZRGXIG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.338,221-270-8,3051-94-3,"3,4-xylidino-D-ribitol","1-deoxy-1-[(3,4-dimethylphenyl)amino]pentitol",Cc1ccc(NCC(O)C(O)C(O)CO)cc1C,Cc1ccc(NCC(O)C(O)C(O)CO)cc1C,"InChI=1/C13H21NO4/c1-8-3-4-10(5-9(8)2)14-6-11(16)13(18)12(17)7-15/h3-5,11-18H,6-7H2,1-2H3",C13H21NO4,,,,,,ZPFOXBJGVIUHDO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.346,221-279-7,3055-93-4,2-[2-(dodecyloxy)ethoxy]ethanol,2-[2-(dodecyloxy)ethoxy]ethanol,CCCCCCCCCCCCOCCOCCO,CCCCCCCCCCCCOCCOCCO,"InChI=1/C16H34O3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h17H,2-16H2,1H3",C16H34O3,,,,,,AZLWQVJVINEILY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.349,221-282-3,3055-96-7,"3,6,9,12,15,18-hexaoxatriacontan-1-ol","3,6,9,12,15,18-hexaoxatriacontan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3",C24H50O7,,,,,,OJCFEGKCRWEVSN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.354,221-288-6,3056-64-2,p-tert-butylphenyl acetate,4-tert-butylphenyl acetate,CC(=O)Oc1ccc(cc1)C(C)(C)C,CC(=O)Oc1ccc(cc1)C(C)(C)C,"InChI=1/C12H16O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3",C12H16O2,,,,,,FSALNWWFUMHOAU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.355,221-289-1,3056-73-3,Cinnamanilide,"N,3-diphenylacrylamide",O=C(Nc1ccccc1)\\C=C\\c2ccccc2,O=C(Nc1ccccc1)\C=C\c2ccccc2,"InChI=1/C15H13NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,(H,16,17)",C15H13NO,,,,,,FIIZQHKGJMRJIL-VAWYXSNFSA-N,,,,,,,,,,,
100.019.357,221-291-2,7/08/3057,"5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane","5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphinane",CC1(C)COP(Oc2ccccc2)OC1,CC1(C)COP(Oc2ccccc2)OC1,"InChI=1/C11H15O3P/c1-11(2)8-12-15(13-9-11)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",C11H15O3P,,,,,,JSVDMQKVGLGYCM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.694,217-262-9,1794-24-7,Tetraethylphosphorodiamidic chloride,"N,N,N',N'-tetraethylphosphorodiamidic chloride",CCN(CC)P(=O)(Cl)N(CC)CC,CCN(CC)P(=O)(Cl)N(CC)CC,"InChI=1/C8H20ClN2OP/c1-5-10(6-2)13(9,12)11(7-3)8-4/h5-8H2,1-4H3",C8H20ClN2OP,,,,,,HKKBJRUSFKTHSU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.700,217-269-7,1795-05-7,"2,3,5-trimethylthiophene","2,3,5-trimethylthiophene",Cc1cc(C)c(C)s1,Cc1cc(C)c(C)s1,"InChI=1/C7H10S/c1-5-4-6(2)8-7(5)3/h4H,1-3H3",C7H10S,,,,,,QKZJQIHBRCFDGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.701,217-270-2,1795-09-1,Tetrahydro-2-methylthiophene,2-methyltetrahydrothiophene,CC1CCCS1,CC1CCCS1,"InChI=1/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3",C5H10S,,,,,,AJPGNQYBSTXCJE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.703,217-272-3,1795-16-0,Decylcyclohexane,decylcyclohexane,CCCCCCCCCCC1CCCCC1,CCCCCCCCCCC1CCCCC1,"InChI=1/C16H32/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h16H,2-15H2,1H3",C16H32,,,,,,STWFZICHPLEOIC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.706,217-276-5,1795-48-8,Isopropyl isocyanate,2-isocyanatopropane,CC(C)N=C=O,CC(C)N=C=O,"InChI=1/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3",C4H7NO,,,,,,GSLTVFIVJMCNBH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.707,217-277-0,1795-56-8,Dimethyl mercaptosuccinate,dimethyl 2-sulfanylsuccinate,COC(=O)CC(S)C(=O)OC,COC(=O)CC(S)C(=O)OC,"InChI=1/C6H10O4S/c1-9-5(7)3-4(11)6(8)10-2/h4,11H,3H2,1-2H3",C6H10O4S,,,,,,WTRNXHQNTGJCBK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.709,217-279-1,1796-92-5,"Disodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-3-methylsalicylate","disodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoate",[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)C(c2c(Cl)cccc2Cl)=C/3/C=C(/C)C(=O)\\C(=C\\3)C([O-])=O,[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)C(c2c(Cl)cccc2Cl)=C/3/C=C(/C)C(=O)\C(=C\3)C([O-])=O,"InChI=1/C23H16Cl2O6.2Na/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31;;/h3-9,26H,1-2H3,(H,28,29)(H,30,31);;/q;2*+1/p-2",C23H16Cl2O6.2Na,,,,,,JROAZQFKSSYEBL-UHFFFAOYSA-L,,,,,,,,,,,
100.015.710,217-280-7,1797-33-7,Sodium 4-tetradecylbenzenesulphonate,sodium 4-tetradecylbenzenesulfonate,[Na+].CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C20H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)24(21,22)23;/h15-18H,2-14H2,1H3,(H,21,22,23);/q;+1/p-1",C20H34O3S.Na,,,,,,GWCMKOHVMSHWKI-UHFFFAOYSA-M,,,,,,,,,,,
100.028.194,231-013-1,7405-15-4,a-[2-(dimethylamino)-1-methylethyl]benzhydryl alcohol hydrochloride,"3-(dimethylamino)-2-methyl-1,1-diphenylpropan-1-ol hydrochloride",Cl.CC(CN(C)C)C(O)(c1ccccc1)c2ccccc2,Cl.CC(CN(C)C)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C18H23NO.ClH/c1-15(14-19(2)3)18(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,15,20H,14H2,1-3H3;1H",C18H23NO.ClH,,,,,,YWAGQZNXGUHOSX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.196,231-015-2,7408-18-6,"2,2'-oxydisuccinic acid","2,2'-oxydisuccinic acid",OC(=O)CC(OC(CC(=O)O)C(=O)O)C(=O)O,OC(=O)CC(OC(CC(=O)O)C(=O)O)C(=O)O,"InChI=1/C8H10O9/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)",C8H10O9,,,,,,CFPOJWPDQWJEMO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.204,231-024-1,7414-81-5,Tributylstannyl p-hydroxybenzoate,4-{[(tributylstannyl)oxy]carbonyl}phenol,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccc(O)cc1,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccc(O)cc1,"InChI=1/C7H6O3.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC19H32O3Sn/c1-4-7-14-23(15-8-5-2,16-9-6-3)22-19(21)17-10-12-18(20)13-11-17/h10-13,20H,4-9,14-16H2,1-3H3",C19H32O3Sn,,,,,,CINMZTUXCWJRJI-UHFFFAOYSA-M,,,,,,,,,,,
100.028.207,231-027-8,7415-86-3,"Bis(2,3-dibromopropyl) phthalate","bis(2,3-dibromopropyl) phthalate",BrCC(Br)COC(=O)c1ccccc1C(=O)OCC(Br)CBr,BrCC(Br)COC(=O)c1ccccc1C(=O)OCC(Br)CBr,"InChI=1/C14H14Br4O4/c15-5-9(17)7-21-13(19)11-3-1-2-4-12(11)14(20)22-8-10(18)6-16/h1-4,9-10H,5-8H2",C14H14Br4O4,,,,,,IVARTEJQLIMVJT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.210,231-030-4,7417-19-8,"2,5-dimethoxyphenethyl alcohol","2-(2,5-dimethoxyphenyl)ethanol",COc1ccc(OC)c(CCO)c1,COc1ccc(OC)c(CCO)c1,"InChI=1/C10H14O3/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7,11H,5-6H2,1-2H3",C10H14O3,,,,,,DJYVHWLFFMIWOY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.219,231-040-9,7420-86-2,5-methyl-2-phenylbenzoxazole,"5-methyl-2-phenyl-1,3-benzoxazole",Cc1ccc2oc(nc2c1)c3ccccc3,Cc1ccc2oc(nc2c1)c3ccccc3,"InChI=1/C14H11NO/c1-10-7-8-13-12(9-10)15-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3",C14H11NO,,,,,,RDBLNMQDEWOUIB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.225,231-047-7,7423-31-6,"1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propenyl]naphtho[1,2-d]thiazolium bromide","1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-2-methylprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium bromide",[Br-].CC[n+]4c5c6ccccc6ccc5sc4C=C(C)C=C3Sc2ccc1ccccc1c2N3CC,[Br-].CC[n+]4c5c6ccccc6ccc5sc4C=C(C)C=C3Sc2ccc1ccccc1c2N3CC,"InChI=1/C30H27N2S2.BrH/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1",C30H27N2S2.Br,,,,,,MPBRYMWMMKKRGC-UHFFFAOYSA-M,,,,,,,,,,,
100.028.226,231-048-2,7423-42-9,2-ethylhexyl hydrogen maleate,4-[(2-ethylhexyl)oxy]-4-oxobut-2-enoic acid,CCCCC(CC)COC(=O)\\C=C/C(=O)O,CCCCC(CC)COC(=O)\C=C/C(=O)O,"InChI=1/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)",C12H20O4,,,,,,IQBLWPLYPNOTJC-FPLPWBNLSA-N,,,,,,,,,,,
100.027.020,229-721-0,6682-59-3,"1-(2,3-dihydro-1,1,5,6-tetramethyl-1H-inden-4-yl)ethan-1-one","1-(1,1,5,6-tetramethyl-2,3-dihydro-1H-inden-4-yl)ethanone",CC(=O)c1c(C)c(C)cc2c1CCC2(C)C,CC(=O)c1c(C)c(C)cc2c1CCC2(C)C,"InChI=1/C15H20O/c1-9-8-13-12(6-7-15(13,4)5)14(10(9)2)11(3)16/h8H,6-7H2,1-5H3",C15H20O,,,,,,BJZMOVNSHDQGTK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.023,229-724-7,6683-48-3,"1,2,3,4-tetrahydro-1,1,4,4,6-pentamethylnaphthalene","1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene",Cc1ccc2c(c1)C(C)(C)CCC2(C)C,Cc1ccc2c(c1)C(C)(C)CCC2(C)C,"InChI=1/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3",C15H22,,,,,,AISXBZVAYNUAKB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.024,229-725-2,6683-71-2,2-methylmyristic acid,2-methyltetradecanoic acid,CCCCCCCCCCCCC(C)C(=O)O,CCCCCCCCCCCCC(C)C(=O)O,"InChI=1/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",C15H30O2,,,,,,BWCZFWIRIAYLHO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.039,229-742-5,6696-59-9,"(5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-6-hydroxy-17,17-dimethylmorphinanium iodide","3-ethoxy-17,17-dimethyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-6-ol iodide",[I-].CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C,[I-].CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C,"InChI=1/C20H26NO3.HI/c1-4-23-16-8-5-12-11-14-13-6-7-15(22)19-20(13,9-10-21(14,2)3)17(12)18(16)24-19;/h5-8,13-15,19,22H,4,9-11H2,1-3H3;1H/q+1;/p-1",C20H26NO3.I,,,,,,JNOZRSPHCSIWDK-BRVQCBAPSA-M,,,,,,,,,,,
100.027.045,229-748-8,6701-17-3,Ocrilate,octyl 2-cyanoacrylate,CCCCCCCCOC(=O)C(=C)C#N,CCCCCCCCOC(=O)C(=C)C#N,"InChI=1/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3",C12H19NO2,,,,,,RPQUGMLCZLGZTG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.053,229-757-7,6709-39-3,"2,6-dimethylhepta-1,5-diene","2,6-dimethylhepta-1,5-diene",CC(=CCCC(=C)C)C,CC(=CCCC(=C)C)C,"InChI=1/C9H16/c1-8(2)6-5-7-9(3)4/h7H,1,5-6H2,2-4H3",C9H16,,,,,,DONSTYDPUORSDN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.452,231-297-7,7487-79-8,"Lauric acid, compound with 2,2'-iminodiethanol (1:1)","dodecanoic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCC(=O)O.OCCNCCO,CCCCCCCCCCCC(=O)O.OCCNCCO,"InChI=1/C12H24O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-3-1-5-2-4-7/h2-11H2,1H3,(H,13,14);5-7H,1-4H2",C12H24O2.C4H11NO2,,,,,,MGDNLGRMXPBCOR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.454,231-299-8,7487-94-7,Mercury dichloride,mercury dichloride,[Cl-].[Cl-].[Hg+2],[Cl-].[Cl-].[Hg+2],InChI=1/2ClH.Hg/h2*1H;/q;;+2/p-2,Cl2Hg,,,,,,LWJROJCJINYWOX-UHFFFAOYSA-L,,,,,,,,,,,
100.028.459,231-304-3,7488-76-8,"5-[(4-anilino-5-sulphonaphthyl)azo]-4-hydroxynaphthalene-2,7-disulphonic acid","4-[(4-anilino-5-sulfo-1-naphthyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c1cccc5c1c(Nc2ccccc2)ccc5N=Nc3cc(cc4cc(cc(O)c34)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)c1cccc5c1c(Nc2ccccc2)ccc5N=Nc3cc(cc4cc(cc(O)c34)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C26H19N3O10S3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)",C26H19N3O10S3,,,,,,QFVHZQCOUORWEI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.469,231-315-3,7492-31-1,"Galactaric acid, compound with N,1,5-trimethylhex-4-en-1-ylamine (1:2)","N,6-dimethylhept-5-en-2-amine - D-galactaric acid (2:1)",CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O[C@H]([C@H](O)[C@@H](O)C(=O)O)[C@H](O)C(=O)O,CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O[C@H]([C@H](O)[C@@H](O)C(=O)O)[C@H](O)C(=O)O,"InChI=1/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)",C9H19N.1/2C6H10O8,,,,,,WSXKZIDINJKWPM-IBGZLQDMSA-N,,,,,,,,,,,
100.028.470,231-316-9,7492-32-2,"(3-carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium","7-amino-3-isopropyl-2-methyl-7-oxo-6,6-diphenylheptan-3-aminium",CC(C)C([NH3+])(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C,CC(C)C([NH3+])(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C,"InChI=1/C23H32N2O/c1-17(2)23(25,18(3)4)16-15-22(21(24)26,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16,25H2,1-4H3,(H2,24,26)/p+1",C23H33N2O,,,,,,ZQMNAAFQOQZAQL-UHFFFAOYSA-O,,,,,,,,,,,
100.028.473,231-320-0,7492-44-6,a-butylcinnamaldehyde,2-benzylidenehexanal,CCCC\\C(=C/c1ccccc1)\\C=O,CCCC\C(=C/c1ccccc1)\C=O,"InChI=1/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3",C13H16O,,,,,,GFBCBQNBXRPRQD-JLHYYAGUSA-N,,,,,,,,,,,
100.028.476,231-323-7,7492-66-2,"1,1-diethoxy-3,7-dimethylocta-2,6-diene","1,1-diethoxy-3,7-dimethylocta-2,6-diene",CCOC(C=C(C)CC\\C=C(/C)C)OCC,CCOC(C=C(C)CC\C=C(/C)C)OCC,"InChI=1/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3",C14H26O2,,,,,,NTXGFKWLJFHGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.478,231-325-8,7492-68-4,"Carbonic acid, copper salt",copper(1+) hydrogen carbonate,[Cu+].OC(=O)[O-],[Cu+].OC(=O)[O-],"InChI=1/CH2O3.Cu/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",CH2O3.xCu,,,,,,AUXGJTQZAZZOBK-UHFFFAOYSA-M,,,,,,,,,,,
100.028.479,231-326-3,7492-70-8,Butyl O-butyryllactate,2-butoxy-1-methyl-2-oxoethyl butyrate,CCCCOC(=O)C(C)OC(=O)CCC,CCCCOC(=O)C(C)OC(=O)CCC,"InChI=1/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3",C11H20O4,,,,,,NORZZKKLCYMBBF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.480,231-327-9,7493-57-4,[2-(1-propoxyethoxy)ethyl]benzene,[2-(1-propoxyethoxy)ethyl]benzene,CCCOC(C)OCCc1ccccc1,CCCOC(C)OCCc1ccccc1,"InChI=1/C13H20O2/c1-3-10-14-12(2)15-11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3",C13H20O2,,,,,,FMYCPRQGKSONCP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.481,231-328-4,7493-58-5,"4-methylpentane-2,3-dione","4-methylpentane-2,3-dione",CC(C)C(=O)C(=O)C,CC(C)C(=O)C(=O)C,"InChI=1/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3",C6H10O2,,,,,,JENYBWHRLYZSSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.486,231-334-7,7493-72-3,Allyl nonan-1-oate,allyl nonanoate,CCCCCCCCC(=O)OCC=C,CCCCCCCCC(=O)OCC=C,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3",C12H22O2,,,,,,MFLWLDDOGSNSKO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.498,231-347-8,7495-84-3,p-tolyl propionate,4-methylphenyl propionate,CCC(=O)Oc1ccc(C)cc1,CCC(=O)Oc1ccc(C)cc1,"InChI=1/C10H12O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",C10H12O2,,,,,,YFHVPIIQKCJXMO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.878,229-565-3,6613-64-5,1-(3-sulphonatopropyl)-2-vinylpyridinium,3-(2-vinylpyridinium-1-yl)propane-1-sulfonate,[O-]S(=O)(=O)CCC[n+]1ccccc1C=C,[O-]S(=O)(=O)CCC[n+]1ccccc1C=C,"InChI=1/C10H13NO3S/c1-2-10-6-3-4-7-11(10)8-5-9-15(12,13)14/h2-4,6-7H,1,5,8-9H2",C10H13NO3S,,,,,,DNHDSWZXBHTLDP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.881,229-569-5,6621-47-2,Perhexiline,"2-(2,2-dicyclohexylethyl)piperidine",C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,"InChI=1/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2",C19H35N,,,,,,CYXKNKQEMFBLER-UHFFFAOYSA-N,,,,,,,,,,,
100.026.885,229-573-7,6622-73-7,4'-allyloxyacetanilide,N-[4-(allyloxy)phenyl]acetamide,CC(=O)Nc1ccc(OCC=C)cc1,CC(=O)Nc1ccc(OCC=C)cc1,"InChI=1/C11H13NO2/c1-3-8-14-11-6-4-10(5-7-11)12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)",C11H13NO2,,,,,,UVGQOPZEALYXKP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.229,231-051-9,7424-00-2,3-(p-chlorophenyl)-DL-alanine,4-chloro-L-phenylalanine,Clc1ccc(C[C@H](N)C(O)=O)cc1,Clc1ccc(C[C@H](N)C(O)=O)cc1,"InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10ClNO2,,,,,,NIGWMJHCCYYCSF-QMMMGPOBSA-N,,,,,,,,,,,
100.027.030,229-732-0,5/11/6688,Cyclooctanecarbaldehyde,cyclooctanecarbaldehyde,O=CC1CCCCCCC1,O=CC1CCCCCCC1,"InChI=1/C9H16O/c10-8-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2",C9H16O,,,,,,IGGUWVNICWZJQU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.032,229-734-1,6/12/6690,9-oxabicyclo[6.1.0]non-2-ene,9-oxabicyclo[6.1.0]non-2-ene,C1CCC2OC2C=CC1,C1CCC2OC2C=CC1,"InChI=1/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h3,5,7-8H,1-2,4,6H2",C8H12O,,,,,,TWFJMNZBFSTTNG-HYXAFXHYSA-N,,,,,,,,,,,
100.027.033,229-735-7,1/06/6691,"Disodium 1-amino-4-(3-amino-4-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(3-amino-4-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-],"InChI=1/C20H15N3O8S2.2Na/c21-12-7-9(5-6-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C20H15N3O8S2.2Na,,,,,,ISNVDXVHWSVHMS-UHFFFAOYSA-L,,,,,,,,,,,
100.027.037,229-739-9,6693-31-8,"[cis(cis)]-4,4'-methylenebis(cyclohexylamine)","4,4'-methylenedicyclohexanamine",NC1CCC(CC2CCC(N)CC2)CC1,NC1CCC(CC2CCC(N)CC2)CC1,"InChI=1/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2",C13H26N2,,,,,,DZIHTWJGPDVSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.040,229-743-0,6700-56-7,"Ethyl hexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylate, compound with citric acid (1:1)","ethyl 1-methyl-4-phenylazepane-4-carboxylate 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCOC(=O)C1(CCCN(C)CC1)c2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCOC(=O)C1(CCCN(C)CC1)c2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C16H23NO2.C6H8O7/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,3,7,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C16H23NO2.C6H8O7,,,,,,KCVHFFSPDODYOG-UHFFFAOYSA-N,,,,,,,,,,,
100.027.048,229-751-4,6705-49-3,7-oxabicyclo[4.1.0]heptan-2-one,7-oxabicyclo[4.1.0]heptan-2-one,O=C1CCCC2OC12,O=C1CCCC2OC12,"InChI=1/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h5-6H,1-3H2",C6H8O2,,,,,,QKOHEJBTNOEACF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.055,229-759-8,6711-45-1,Tris(2-chloroethoxy)methylsilane,[tris(2-chloroethoxy)methyl]silane,[SiH3]C(OCCCl)(OCCCl)OCCCl,[SiH3]C(OCCCl)(OCCCl)OCCCl,"InChI=1/C7H15Cl3O3Si/c8-1-4-11-7(14,12-5-2-9)13-6-3-10/h1-6H2,14H3",C7H15Cl3O3Si,,,,,,ZVOROGMCKAOYGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.056,229-760-3,6711-46-2,"N,N-dimethyl-N'-phenylethylenediamine","N,N-dimethyl-N'-phenylethane-1,2-diamine",CN(C)CCNc1ccccc1,CN(C)CCNc1ccccc1,"InChI=1/C10H16N2/c1-12(2)9-8-11-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3",C10H16N2,,,,,,FRCVOKAWJJIJHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.058,229-762-4,6711-83-7,"Disodium 1,5-dibenzamidoanthracene-9,10-diyl bis(sulphate)","disodium 1,5-bis(benzoylamino)anthracene-9,10-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c2cccc(NC(=O)c3ccccc3)c2c(OS(=O)(=O)[O-])c4cccc(NC(=O)c5ccccc5)c14,[Na+].[Na+].[O-]S(=O)(=O)Oc1c2cccc(NC(=O)c3ccccc3)c2c(OS(=O)(=O)[O-])c4cccc(NC(=O)c5ccccc5)c14,"InChI=1/C28H20N2O10S2.2Na/c31-27(17-9-3-1-4-10-17)29-21-15-7-13-19-23(21)25(39-41(33,34)35)20-14-8-16-22(24(20)26(19)40-42(36,37)38)30-28(32)18-11-5-2-6-12-18;;/h1-16H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C28H20N2O10S2.2Na,,,,,,MDKGQPXOGWXWNG-UHFFFAOYSA-L,,,,,,,,,,,
100.024.981,227-479-0,5856-99-5,"2,4,6-triisobutylphenol","2,4,6-triisobutylphenol",CC(C)Cc1cc(CC(C)C)c(O)c(CC(C)C)c1,CC(C)Cc1cc(CC(C)C)c(O)c(CC(C)C)c1,"InChI=1/C18H30O/c1-12(2)7-15-10-16(8-13(3)4)18(19)17(11-15)9-14(5)6/h10-14,19H,7-9H2,1-6H3",C18H30O,,,,,,YEBYLKSGBARIJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.990,227-489-5,5858-33-3,"Sodium 1-(1'-naphthylazo)naphth-2-ol-3,6-disulphonate","disodium 3-hydroxy-4-(1-naphthyldiazenyl)naphthalene-2,7-disulfonate",Oc1c(N=Nc2cccc3ccccc23)c4ccc(cc4cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na],Oc1c(N=Nc2cccc3ccccc23)c4ccc(cc4cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C20H14N2O7S2.2Na/c23-20-18(31(27,28)29)11-13-10-14(30(24,25)26)8-9-16(13)19(20)22-21-17-7-3-5-12-4-1-2-6-15(12)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/rC20H12N2Na2O7S2/c23-30-32(26,27)14-8-9-16-13(10-14)11-18(33(28,29)31-24)20(25)19(16)22-21-17-7-3-5-12-4-1-2-6-15(12)17/h1-11,25H",C20H14N2O7S2.2Na,,,,,,LHRXTFDXJQAGAV-UHFFFAOYSA-L,,,,,,,,,,,
100.024.992,227-491-6,5858-42-4,Disodium 4-hydroxy-3-[(6-sulphonato-2-naphthyl)azo]naphthalenesulphonate,disodium 4-hydroxy-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O,"InChI=1/C20H14N2O7S2.2Na/c23-20-17-4-2-1-3-16(17)19(31(27,28)29)11-18(20)22-21-14-7-5-13-10-15(30(24,25)26)8-6-12(13)9-14;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H14N2O7S2.2Na,,,,,,GDNRQFMCDFPCJA-UHFFFAOYSA-L,,,,,,,,,,,
100.015.717,217-288-0,1800-91-5,"3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene","3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodeca-1,9-diene",FC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C10H6F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2",C10H6F12,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17130,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.717,PDFSXHZXNZCKNF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.724,217-295-9,1804-87-1,Sodium 2-sulphonatoethyl methacrylate,sodium 2-(methacryloyloxy)ethanesulfonate,[Na+].CC(=C)C(=O)OCCS(=O)(=O)[O-],[Na+].CC(=C)C(=O)OCCS(=O)(=O)[O-],"InChI=1/C6H10O5S.Na/c1-5(2)6(7)11-3-4-12(8,9)10;/h1,3-4H2,2H3,(H,8,9,10);/q;+1/p-1",C6H10O5S.Na,,,,,,DEWNCLAWVNEDHG-UHFFFAOYSA-M,,,,,,,,,,,
100.015.725,217-296-4,1804-93-9,Dipropyl hydrogen phosphate,dipropyl hydrogen phosphate,CCCOP(=O)(O)OCCC,CCCOP(=O)(O)OCCC,"InChI=1/C6H15O4P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3,(H,7,8)",C6H15O4P,,,,,,QVKQJEWZVQFGIY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.729,217-302-5,1806-26-4,p-octylphenol,4-octylphenol,CCCCCCCCc1ccc(O)cc1,CCCCCCCCc1ccc(O)cc1,"InChI=1/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3",C14H22O,,,,,,NTDQQZYCCIDJRK-UHFFFAOYSA-N,Positive,ETS00011,[M+H]+,HCD75 NCE,137.0958:207.1741:147.117,Eawag_Additional_Specs2,,,,,
100.015.731,217-304-6,1806-34-4,"1,4-bis(5-phenyloxazol-2-yl)benzene","2,2'-(1,4-phenylene)bis(5-phenyl-1,3-oxazole)",o1c(cnc1c2ccc(cc2)c3oc(cn3)c4ccccc4)c5ccccc5,o1c(cnc1c2ccc(cc2)c3oc(cn3)c4ccccc4)c5ccccc5,InChI=1/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H,C24H16N2O2,,,,,,MASVCBBIUQRUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.733,217-306-7,1807-02-9,"11a,17ß-dihydroxy-17-methylandrost-4-en-3-one","11,17-dihydroxy-17-methylandrost-4-en-3-one",C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,"InChI=1/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3",C20H30O3,,,,,,UBIBSXMTVJAYTQ-QMNUTNMBSA-N,,,,,,,,,,,
100.015.736,217-309-3,1807-55-2,"4,4'-methylenebis(N-methylaniline)","4,4'-methylenebis(N-methylaniline)",CNc1ccc(Cc2ccc(NC)cc2)cc1,CNc1ccc(Cc2ccc(NC)cc2)cc1,"InChI=1/C15H18N2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10,16-17H,11H2,1-2H3",C15H18N2,,,,,,ZMVMYBGDGJLCHV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.610,249-087-9,28573-66-2,"2,5-diethoxy-4-(p-tolylthio)benzenediazonium chloride, compound with zinc chloride","2,5-diethoxy-4-(p-tolylthio)benzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2,[Cl-].[Cl-].[Cl-].[Zn+2].CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2,"InChI=1/C17H19N2O2S.3ClH.Zn/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;;;;/h6-11H,4-5H2,1-3H3;3*1H;/q+1;;;;+2/p-3",C17H19N2O2S.xCl2Zn.Cl,,,,,,UAPCNHBBBWEEOE-UHFFFAOYSA-K,,,,,,,,,,,
100.044.620,249-098-9,28600-35-3,"Sulphurous acid, gold sodium salt",gold(1+) sodium sulfite,[Na+].[Au+].[O-]S(=O)[O-],[Na+].[Au+].[O-]S(=O)[O-],"InChI=1/Au.Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",Au.xH2O3S.xNa,,,,,,RXNUQHQAZAAIDP-UHFFFAOYSA-L,,,,,,,,,,,
100.044.621,249-099-4,28600-36-4,"Sulphurous acid, gold potassium salt",gold(1+) potassium sulfite,[K+].[Au+].[O-]S(=O)[O-],[K+].[Au+].[O-]S(=O)[O-],"InChI=1/Au.K.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",Au.xH2O3S.xK,,,,,,OCNFLBCBOWEIRI-UHFFFAOYSA-L,,,,,,,,,,,
100.039.376,243-330-2,19805-23-3,(±)-3-[[(2-aminoethoxy)hydroxyphosphinoyl]oxy]-2-hydroxypropyl hexadecanoate,3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN,CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN,"InChI=1/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)",C21H44NO7P,,,,,,YVYMBNSKXOXSKW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.386,243-341-2,19812-64-7,"Tetradecane-1,14-diol","tetradecane-1,14-diol",OCCCCCCCCCCCCCCO,OCCCCCCCCCCCCCCO,"InChI=1/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2",C14H30O2,,,,,,XLKZJJVNBQCVIX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.391,243-347-5,19817-92-6,Uridine 5'-(disodium dihydrogen triphosphate),"disodium 1-{5-O-[({hydroxy[(hydroxyphosphinato)oxy]phosphoryl}oxy)phosphinato]pentofuranosyl}pyrimidine-2,4(1H,3H)-dione",OC1C(O)C(OC1COP(=O)(O[Na])OP(=O)(O)OP(=O)(O)O[Na])N2C=CC(=O)NC2=O,OC1C(O)C(OC1COP(=O)(O[Na])OP(=O)(O)OP(=O)(O)O[Na])N2C=CC(=O)NC2=O,"InChI=1/C9H15N2O15P3.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/rC9H13N2Na2O15P3/c12-25-29(18,19)27-30(20,21)28-31(22,26-13)23-3-4-6(15)7(16)8(24-4)11-2-1-5(14)10-9(11)17/h1-2,4,6-8,15-16H,3H2,(H,18,19)(H,20,21)(H,10,14,17)",C9H15N2O15P3.3Na,,,,,,JFXKPFPIFSFLOU-UHFFFAOYSA-L,,,,,,,,,,,
100.039.393,243-349-6,19819-98-8,2-o-tolylethanol,2-(2-methylphenyl)ethanol,Cc1ccccc1CCO,Cc1ccccc1CCO,"InChI=1/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3",C9H12O,,,,,,RUGISKODRCWQNE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.054,229-758-2,6709-58-6,"4-(2,6-dichloro-4-nitrophenylazo)-2,5-dimethoxybenzenediazonium chloride","4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxybenzenediazonium chloride",[Cl-].Clc2cc(cc(Cl)c2N=Nc1cc(OC)c([N+]#N)cc1OC)[N+]([O-])=O,[Cl-].Clc2cc(cc(Cl)c2N=Nc1cc(OC)c([N+]#N)cc1OC)[N+]([O-])=O,"InChI=1/C14H10Cl2N5O4.ClH/c1-24-12-6-11(13(25-2)5-10(12)18-17)19-20-14-8(15)3-7(21(22)23)4-9(14)16;/h3-6H,1-2H3;1H/q+1;/p-1",C14H10Cl2N5O4,,,,,,VAFJPYKXZLFJND-UHFFFAOYSA-M,,,,,,,,,,,
100.027.059,229-764-5,6712-98-7,"1-(N,N-bis(2-hydroxyethyl)amino)propan-2-ol",1-[bis(2-hydroxyethyl)amino]propan-2-ol,CC(O)CN(CCO)CCO,CC(O)CN(CCO)CCO,"InChI=1/C7H17NO3/c1-7(11)6-8(2-4-9)3-5-10/h7,9-11H,2-6H2,1H3",C7H17NO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13562,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.059,ZFECCYLNALETDE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.061,229-766-6,6713-54-8,"1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)tetrone","1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone",O=C1NC(=O)C2=C(N1)C(=O)NC(=O)N2,O=C1NC(=O)C2=C(N1)C(=O)NC(=O)N2,"InChI=1/C6H4N4O4/c11-3-1-2(8-6(14)9-3)4(12)10-5(13)7-1/h(H2,7,10,12,13)(H2,8,9,11,14)",C6H4N4O4,,,,,,ZEKJTVBUDUYZOU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.062,229-767-1,6713-72-0,"3,3,6,6-tetramethyl-1,4-dioxane-2,5-dione","3,3,6,6-tetramethyl-1,4-dioxane-2,5-dione",CC1(C)OC(=O)C(C)(C)OC1=O,CC1(C)OC(=O)C(C)(C)OC1=O,"InChI=1/C8H12O4/c1-7(2)5(9)12-8(3,4)6(10)11-7/h1-4H3",C8H12O4,,,,,,GZYXPXGNODDCBD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.983,227-481-1,5857-39-6,Chloro-2-thienylmercury,chloro(2-thienyl)mercury,Cl[Hg]c1cccs1,Cl[Hg]c1cccs1,InChI=1/C4H3S.ClH.Hg/c1-2-4-5-3-1;;/h1-3H;1H;/q;;+1/p-1/rC4H3ClHgS/c5-6-4-2-1-3-7-4/h1-3H,C4H3ClHgS,,,,,,ZHYQQIZNGJOGSG-UHFFFAOYSA-M,,,,,,,,,,,
100.024.985,227-483-2,1/07/5858,6-chloro-4-methylbenzo[b]thiophene-3(2H)-one,6-chloro-4-methyl-1-benzothiophen-3(2H)-one,Cc1cc(Cl)cc2SCC(=O)c12,Cc1cc(Cl)cc2SCC(=O)c12,"InChI=1/C9H7ClOS/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-3H,4H2,1H3",C9H7ClOS,,,,,,UPPUKRIDAPMTRP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.986,227-484-8,5858-13-9,"3,3'-(carbonyldiimino)bis[6-aminobenzenesulphonic] acid",2-amino-5-{[(4-amino-3-sulfophenyl)carbamoyl]amino}benzenesulfonic acid,Nc1ccc(NC(=O)Nc2ccc(N)c(c2)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1ccc(NC(=O)Nc2ccc(N)c(c2)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C13H14N4O7S2/c14-9-3-1-7(5-11(9)25(19,20)21)16-13(18)17-8-2-4-10(15)12(6-8)26(22,23)24/h1-6H,14-15H2,(H2,16,17,18)(H,19,20,21)(H,22,23,24)",C13H14N4O7S2,,,,,,HTCKYPGNOXCXNS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.987,227-485-3,5858-17-3,"3,4-dichlorobenzenethiol","3,4-dichlorobenzenethiol",Sc1ccc(Cl)c(Cl)c1,Sc1ccc(Cl)c(Cl)c1,"InChI=1/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H",C6H4Cl2S,,,,,,HNJZDPKMMZXSKT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.988,227-486-9,5858-18-4,"2,5-dichlorobenzenethiol","2,5-dichlorobenzenethiol",Sc1cc(Cl)ccc1Cl,Sc1cc(Cl)ccc1Cl,"InChI=1/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H",C6H4Cl2S,,,,,,QIULLHZMZMGGFH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.998,227-497-9,5858-81-1,Disodium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate,disodium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate,[Na+].[Na+].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Na+].[Na+].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C18H14N2O6S.2Na/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2",C18H14N2O6S.2Na,,,,,,VPWFPZBFBFHIIL-UHFFFAOYSA-L,,,,,,,,,,,
100.026.629,229-291-4,6470-17-3,5-amino-2-methoxybenzenesulphonic acid,5-amino-2-methoxybenzenesulfonic acid,COc1ccc(N)cc1S(=O)(=O)O,COc1ccc(N)cc1S(=O)(=O)O,"InChI=1/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO4S,,,,,,JXZGTFLJFKLVAX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.636,229-299-8,6470-53-7,2-amino-5-(p-nitrobenzamido)benzenesulphonic acid,2-amino-5-[(4-nitrobenzoyl)amino]benzenesulfonic acid,Nc1ccc(NC(=O)c2ccc(cc2)N(=O)=O)cc1S(=O)(=O)O,Nc1ccc(NC(=O)c2ccc(cc2)N(=O)=O)cc1S(=O)(=O)O,"InChI=1/C13H11N3O6S/c14-11-6-3-9(7-12(11)23(20,21)22)15-13(17)8-1-4-10(5-2-8)16(18)19/h1-7H,14H2,(H,15,17)(H,20,21,22)",C13H11N3O6S,,,,,,PLLCVXOUKOLTLC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.641,229-304-3,9/02/6471,"N-(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)acetamide","N-(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide",CC(=O)Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,CC(=O)Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H12N2O3/c1-8(19)18-12-7-6-11(17)13-14(12)16(21)10-5-3-2-4-9(10)15(13)20/h2-7H,17H2,1H3,(H,18,19)",C16H12N2O3,,,,,,WUTYQBPQNVVTGI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.615,231-475-4,6/07/7578,Antimony tri(octanolate),antimony(3+) trioctan-1-olate,[SbH3+3].CCCCCCCC[O-].CCCCCCCC[O-].CCCCCCCC[O-],[SbH3+3].CCCCCCCC[O-].CCCCCCCC[O-].CCCCCCCC[O-],"InChI=1/3C8H17O.Sb.3H/c3*1-2-3-4-5-6-7-8-9;;;;/h3*2-8H2,1H3;;;;/q3*-1;+3;;;/r3C8H17O.H3Sb/c3*1-2-3-4-5-6-7-8-9;/h3*2-8H2,1H3;1H3/q3*-1;+3",C8H18O.1/3Sb,,,,,,URELSTLGWCZCKA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.618,231-479-6,3/12/7580,"2,4,6-triisopropyl-1,3,5-trioxane","2,4,6-triisopropyl-1,3,5-trioxane",CC(C)C1OC(OC(O1)C(C)C)C(C)C,CC(C)C1OC(OC(O1)C(C)C)C(C)C,"InChI=1/C12H24O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-12H,1-6H3",C12H24O3,,,,,,XYIANCZIPATGDH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.887,229-575-8,6622-76-0,Methyl 2-methylcrotonate,methyl 2-methylbut-2-enoate,COC(=O)\\C(=C\\C)\\C,COC(=O)\C(=C\C)\C,"InChI=1/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3",C6H10O2,,,,,,YYJWBYNQJLBIGS-SNAWJCMRSA-N,,,,,,,,,,,
100.026.895,229-584-7,6625-46-3,"Disodium 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2,7-disulphonate","disodium 5-acetamido-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].COc3ccccc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].COc3ccccc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C19H17N3O9S2.2Na/c1-10(23)20-14-9-12(32(25,26)27)7-11-8-16(33(28,29)30)18(19(24)17(11)14)22-21-13-5-3-4-6-15(13)31-2;;/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C19H17N3O9S2.2Na,,,,,,UDMXIGPLHJOQKB-UHFFFAOYSA-L,,,,,,,,,,,
100.026.902,229-592-0,6627-38-9,"6,7-dimethyl-2,3-di-2-pyridylquinoxaline","6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline",Cc1cc2nc(c3ccccn3)c(nc2cc1C)c4ccccn4,Cc1cc2nc(c3ccccn3)c(nc2cc1C)c4ccccn4,"InChI=1/C20H16N4/c1-13-11-17-18(12-14(13)2)24-20(16-8-4-6-10-22-16)19(23-17)15-7-3-5-9-21-15/h3-12H,1-2H3",C20H16N4,,,,,,NACXMBPTPBZQHY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.905,229-595-7,6627-55-0,2-bromo-p-cresol,2-bromo-4-methylphenol,Cc1ccc(O)c(Br)c1,Cc1ccc(O)c(Br)c1,"InChI=1/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3",C7H7BrO,,,,,,MTIDYGLTAOZOGU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.915,229-606-5,4/06/6628,2-allyl-p-cresol,2-allyl-4-methylphenol,Cc1ccc(O)c(CC=C)c1,Cc1ccc(O)c(CC=C)c1,"InChI=1/C10H12O/c1-3-4-9-7-8(2)5-6-10(9)11/h3,5-7,11H,1,4H2,2H3",C10H12O,,,,,,JVXJWGPWQBPZOI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.916,229-607-0,6628-21-3,"Ethyl 2,3-dichloropropionate","ethyl 2,3-dichloropropanoate",CCOC(=O)C(Cl)CCl,CCOC(=O)C(Cl)CCl,"InChI=1/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3",C5H8Cl2O2,,,,,,RNZPQAZETZXKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.918,229-609-1,6628-28-0,6-ethoxy-2-methylquinoline,6-ethoxy-2-methylquinoline,CCOc1ccc2nc(C)ccc2c1,CCOc1ccc2nc(C)ccc2c1,"InChI=1/C12H13NO/c1-3-14-11-6-7-12-10(8-11)5-4-9(2)13-12/h4-8H,3H2,1-2H3",C12H13NO,,,,,,VTGXHCUQALWXCR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.920,229-611-2,6628-76-8,3-chloro-4-hydrazinobenzenesulphonic acid,3-chloro-4-hydrazinobenzenesulfonic acid,NNc1ccc(cc1Cl)S(=O)(=O)O,NNc1ccc(cc1Cl)S(=O)(=O)O,"InChI=1/C6H7ClN2O3S/c7-5-3-4(13(10,11)12)1-2-6(5)9-8/h1-3,9H,8H2,(H,10,11,12)",C6H7ClN2O3S,,,,,,SVSGKVLJUJOBNO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.923,229-614-9,6628-86-0,5-chloro-2-nitrobenzaldehyde,5-chloro-2-nitrobenzaldehyde,[O-][N+](=O)c1ccc(Cl)cc1C=O,[O-][N+](=O)c1ccc(Cl)cc1C=O,InChI=1/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H,C7H4ClNO3,,,,,,SWGPIDCNYAYXMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.924,229-615-4,5/04/6629,Ethyl cyanoacetylcarbamate,2-cyano-N-(ethoxycarbonyl)ethanimidic acid,O/C(CC#N)=N/C(=O)OCC,O/C(CC#N)=N/C(=O)OCC,"InChI=1/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)",C6H8N2O3,,,,,,HSOGVWWWGVFXGF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.944,229-637-4,6637-87-2,"Disodium 4-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-({2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc(cc3)[N+]([O-])=O)N=Nc5cc(cc([N+]([O-])=O)c5O)[N+]([O-])=O,[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc(cc3)[N+]([O-])=O)N=Nc5cc(cc([N+]([O-])=O)c5O)[N+]([O-])=O,"InChI=1/C28H17N9O16S2.2Na/c38-23-10-17(55(51,52)53)6-12-5-16(54(48,49)50)9-18(24(12)23)30-32-20-11-21(33-31-19-7-15(36(44)45)8-22(26(19)39)37(46)47)28(41)25(27(20)40)34-29-13-1-3-14(4-2-13)35(42)43;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C28H17N9O16S2.2Na,,,,,,SKCQDFLBBMGDPT-UHFFFAOYSA-L,,,,,,,,,,,
100.026.949,229-643-7,1/06/6639,1H-indole-1-propionic acid,3-(1H-indol-1-yl)propanoic acid,OC(=O)CCn1ccc2ccccc12,OC(=O)CCn1ccc2ccccc12,"InChI=1/C11H11NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8H2,(H,13,14)",C11H11NO2,,,,,,OSWNOVFZARRSKM-UHFFFAOYSA-N,,,,,,,,,,,
100.023.059,225-365-5,4806-79-5,4-chloro-ß-methylphenethylamine hydrochloride,2-(4-chlorophenyl)propan-1-amine hydrochloride,Cl.CC(CN)c1ccc(Cl)cc1,Cl.CC(CN)c1ccc(Cl)cc1,"InChI=1/C9H12ClN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H",C9H12ClN,,,,,,RTPMRVSAKBTCBG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.066,225-372-3,7/09/4810,3-methylhept-1-ene,3-methylhept-1-ene,CCCCC(C)C=C,CCCCC(C)C=C,"InChI=1/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3",C8H16,,,,,,QDMFTFWKTYXBIW-UHFFFAOYSA-N,,,,,,,,,,,
100.023.069,225-376-5,4810-79-1,4-isobutylpyridine,4-isobutylpyridine,CC(C)Cc1ccncc1,CC(C)Cc1ccncc1,"InChI=1/C9H13N/c1-8(2)7-9-3-5-10-6-4-9/h3-6,8H,7H2,1-2H3",C9H13N,,,,,,WACPXLKEEAMYCH-UHFFFAOYSA-N,,,,,,,,,,,
100.023.072,225-379-1,4812-20-8,o-isopropoxyphenol,2-isopropoxyphenol,CC(C)Oc1ccccc1O,CC(C)Oc1ccccc1O,"InChI=1/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3",C9H12O2,,,,,,ZNCUUYCDKVNVJH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.995,227-494-2,5858-58-2,Sodium 5-hydroxy-6-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-1-sulphonate,sodium 5-hydroxy-6-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-1-sulfonate,[Na+].Oc3ccc(cc3N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc3ccc(cc3N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C16H11N3O7S.Na/c20-14-7-4-9(19(22)23)8-13(14)18-17-12-6-5-10-11(16(12)21)2-1-3-15(10)27(24,25)26;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1",C16H11N3O7S.Na,,,,,,LAGJIJRTUQNSQB-UHFFFAOYSA-M,,,,,,,,,,,
100.024.996,227-495-8,5858-61-7,"Disodium 3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C18H15N3O8S2.2Na/c1-10(22)19-12-2-4-13(5-3-12)20-21-17-16(31(27,28)29)9-11-8-14(30(24,25)26)6-7-15(11)18(17)23;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C18H15N3O8S2.2Na,,,,,,KXKUXNYZNUPMJA-UHFFFAOYSA-L,,,,,,,,,,,
100.026.626,229-288-8,6469-87-0,3-chloro-9H-thioxanthen-9-one,3-chloro-9H-thioxanthen-9-one,Clc1ccc2C(=O)c3ccccc3Sc2c1,Clc1ccc2C(=O)c3ccccc3Sc2c1,InChI=1/C13H7ClOS/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,C13H7ClOS,,,,,,WIRJDTJTGNEUAF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.628,229-290-9,6470-15-1,"7-amino-1,2,4-trichloro-3H-phenoxazin-3-one","7-amino-1,2,4-trichloro-3H-phenoxazin-3-one",Nc1ccc2N=C3C(=C(Cl)C(=O)C(=C3Oc2c1)Cl)Cl,Nc1ccc2N=C3C(=C(Cl)C(=O)C(=C3Oc2c1)Cl)Cl,"InChI=1/C12H5Cl3N2O2/c13-7-8(14)11(18)9(15)12-10(7)17-5-2-1-4(16)3-6(5)19-12/h1-3H,16H2",C12H5Cl3N2O2,,,,,,IIZIRIMTACCCTC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.630,229-293-5,6470-18-4,N-(7-hydroxy-1-naphthyl)acetamide,N-(7-hydroxy-1-naphthyl)acetamide,CC(=O)Nc1cccc2ccc(O)cc12,CC(=O)Nc1cccc2ccc(O)cc12,"InChI=1/C12H11NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h2-7,15H,1H3,(H,13,14)",C12H11NO2,,,,,,ALNWQAFPXMGLTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.632,229-295-6,6470-23-1,Sodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate,sodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate,[Na+].COc4ccccc4N=Nc3c(cc2cc(NC(=O)c1ccc(N)cc1)ccc2c3O)S([O-])(=O)=O,[Na+].COc4ccccc4N=Nc3c(cc2cc(NC(=O)c1ccc(N)cc1)ccc2c3O)S([O-])(=O)=O,"InChI=1/C24H20N4O6S.Na/c1-34-20-5-3-2-4-19(20)27-28-22-21(35(31,32)33)13-15-12-17(10-11-18(15)23(22)29)26-24(30)14-6-8-16(25)9-7-14;/h2-13,29H,25H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1",C24H20N4O6S.Na,,,,,,BZGZXWDAYNJIFU-UHFFFAOYSA-M,,,,,,,,,,,
100.026.637,229-300-1,6470-90-2,"N,N'-(9,10-dihydro-9,10-dioxoanthracene-2,6-diyl)bisbenzamide","N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,6-diyl)dibenzamide",O=C(Nc1ccc2C(=O)c3cc(NC(=O)c4ccccc4)ccc3C(=O)c2c1)c5ccccc5,O=C(Nc1ccc2C(=O)c3cc(NC(=O)c4ccccc4)ccc3C(=O)c2c1)c5ccccc5,"InChI=1/C28H18N2O4/c31-25-22-14-12-20(30-28(34)18-9-5-2-6-10-18)16-24(22)26(32)21-13-11-19(15-23(21)25)29-27(33)17-7-3-1-4-8-17/h1-16H,(H,29,33)(H,30,34)",C28H18N2O4,,,,,,BEGIKIVKUQSREV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.638,229-301-7,6470-97-9,Disodium 5-[(4-nitro-2-sulphonatophenyl)azo]salicylate,disodium 2-hydroxy-5-[(4-nitro-2-sulfonatophenyl)diazenyl]benzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C13H9N3O8S.2Na/c17-11-4-1-7(5-9(11)13(18)19)14-15-10-3-2-8(16(20)21)6-12(10)25(22,23)24;;/h1-6,17H,(H,18,19)(H,22,23,24);;/q;2*+1/p-2",C13H9N3O8S.2Na,,,,,,AICTUOFAVKFWQE-UHFFFAOYSA-L,,,,,,,,,,,
100.026.640,229-303-8,8/01/6471,"Disodium 4,4'-[(1-methylethylidene)bis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]","disodium 4,4'-[propane-2,2-diylbis(4,1-phenyleneimino)]bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate)",[Na+].[Na+].CC(C)(c1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1)c5ccc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)[O-])cc5,[Na+].[Na+].CC(C)(c1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1)c5ccc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)[O-])cc5,"InChI=1/C43H32N4O10S2.2Na/c1-43(2,21-11-15-23(16-12-21)46-29-19-31(58(52,53)54)37(44)35-33(29)39(48)25-7-3-5-9-27(25)41(35)50)22-13-17-24(18-14-22)47-30-20-32(59(55,56)57)38(45)36-34(30)40(49)26-8-4-6-10-28(26)42(36)51;;/h3-20,46-47H,44-45H2,1-2H3,(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2",C43H32N4O10S2.2Na,,,,,,HSGZLAUNLFGYFR-UHFFFAOYSA-L,,,,,,,,,,,
100.028.620,231-481-7,7580-37-2,Tetrakis(hydroxymethyl)phosphonium acetate,tetrakis(hydroxymethyl)phosphonium acetate,CC(=O)[O-].OC[P+](CO)(CO)CO,CC(=O)[O-].OC[P+](CO)(CO)CO,"InChI=1/C4H12O4P.C2H4O2/c5-1-9(2-6,3-7)4-8;1-2(3)4/h5-8H,1-4H2;1H3,(H,3,4)/q+1;/p-1",C4H12O4P.C2H3O2,,,,,,VELJAQNIUXJKSV-UHFFFAOYSA-M,,,,,,,,,,,
100.028.621,231-482-2,7580-46-3,4-octylpyrocatechol,"4-octylbenzene-1,2-diol",CCCCCCCCc1ccc(O)c(O)c1,CCCCCCCCc1ccc(O)c(O)c1,"InChI=1/C14H22O2/c1-2-3-4-5-6-7-8-12-9-10-13(15)14(16)11-12/h9-11,15-16H,2-8H2,1H3",C14H22O2,,,,,,JHMFYGCCBMZPFM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.622,231-483-8,7580-59-8,Dioxosuccinic acid,dioxosuccinic acid,OC(=O)C(=O)C(=O)C(=O)O,OC(=O)C(=O)C(=O)C(=O)O,"InChI=1/C4H2O6/c5-1(3(7)8)2(6)4(9)10/h(H,7,8)(H,9,10)",C4H2O6,,,,,,BLNNXYDKWOJQGK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.061,224-266-4,4272-74-6,(S)-N-[5-amino-1-(chloroacetyl)pentyl]-p-toluenesulphonamide monohydrochloride,N-[5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide hydrochloride,Cl.Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl,Cl.Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl,"InChI=1/C14H21ClN2O3S.ClH/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16;/h5-8,13,17H,2-4,9-10,16H2,1H3;1H",C14H21ClN2O3S.ClH,,,,,,YFCUZWYIPBUQBD-ZOWNYOTGSA-N,,,,,,,,,,,
100.022.067,224-273-2,4274-06-0,2-(2-chloro-4-nitrophenylazo)-5-methoxy-p-toluidine,2-[(2-chloro-4-nitrophenyl)diazenyl]-5-methoxy-4-methylaniline,Clc2cc(ccc2N=Nc1cc(C)c(OC)cc1N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1cc(C)c(OC)cc1N)[N+]([O-])=O,"InChI=1/C14H13ClN4O3/c1-8-5-13(11(16)7-14(8)22-2)18-17-12-4-3-9(19(20)21)6-10(12)15/h3-7H,16H2,1-2H3",C14H13ClN4O3,,,,,,BUHDOMOJOMCPRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.074,224-281-6,4277-63-8,Methyl 1H-pyrrole-1-carboxylate,methyl 1H-pyrrole-1-carboxylate,COC(=O)n1cccc1,COC(=O)n1cccc1,"InChI=1/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3",C6H7NO2,,,,,,MORALDOSFHZOQS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.075,224-282-1,4277-89-8,Trimethyl(2-myristoyloxyethyl)ammonium chloride,"N,N,N-trimethyl-2-(tetradecanoyloxy)ethanaminium chloride",[Cl-].CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1/C19H40NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1",C19H40NO2.Cl,,,,,,CNJMYRYCYNAIOF-UHFFFAOYSA-M,,,,,,,,,,,
100.022.088,224-296-8,4292-92-6,Pentylcyclohexane,pentylcyclohexane,CCCCCC1CCCCC1,CCCCCC1CCCCC1,"InChI=1/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3",C11H22,,,,,,HLTMUYBTNSVOFY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.095,224-303-4,4297-28-3,"3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bispropiononitrile","3,3'-({4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}imino)dipropanenitrile",Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCC#N)CCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCC#N)CCC#N)[N+]([O-])=O,"InChI=1/C19H17ClN6O2/c1-14-12-15(25(10-2-8-21)11-3-9-22)4-6-18(14)23-24-19-7-5-16(26(27)28)13-17(19)20/h4-7,12-13H,2-3,10-11H2,1H3",C19H17ClN6O2,,,,,,PEXQZCKTQRCCHD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.098,224-307-6,4299-03-0,Na-benzoyl-L-argininamide hydrochloride,N~2~-benzoylargininamide,NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)N,NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)N,"InChI=1/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,19)(H,18,20)(H4,15,16,17)",C13H19N5O2.ClH,,,,,,UMKJQJGLFKDADN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.106,224-316-5,4303-70-2,(E)-9-octadecenamide,octadec-9-enamide,CCCCCCCC\\C=C\\CCCCCCCC(=O)N,CCCCCCCC\C=C\CCCCCCCC(=O)N,"InChI=1/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)",C18H35NO,,,,,,FATBGEAMYMYZAF-MDZDMXLPSA-N,,,,,,,,,,,
100.019.363,221-298-0,3058-98-8,Sodium 4-hydroxy-3-[[3-(phenylsulphamoyl)-p-tolyl]azo]naphthalenesulphonate,sodium 4-hydroxy-3-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-1-sulfonate,[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O,[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O,"InChI=1/C23H19N3O6S2.Na/c1-15-11-12-17(13-21(15)33(28,29)26-16-7-3-2-4-8-16)24-25-20-14-22(34(30,31)32)18-9-5-6-10-19(18)23(20)27;/h2-14,26-27H,1H3,(H,30,31,32);/q;+1/p-1",C23H19N3O6S2.Na,,,,,,KKJOSHGDFRDDGD-UHFFFAOYSA-M,,,,,,,,,,,
100.019.371,221-307-8,5/04/3063,D-glycero-D-gulo-heptono-d-lactone,"6-(1,2-dihydroxyethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-one (non-preferred name)",OCC(O)C1OC(=O)C(O)C(O)C1O,OCC(O)C1OC(=O)C(O)C(O)C1O,"InChI=1/C7H12O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-6,8-12H,1H2",C7H12O7,,,,,,SUNCWTXGGFSVJR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.875,222-962-2,3681-82-1,(E)-hex-3-enyl acetate,hex-3-en-1-yl acetate,CC\\C=C\\CCOC(=O)C,CC\C=C\CCOC(=O)C,"InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",C8H14O2,,,,,,NPFVOOAXDOBMCE-SNAWJCMRSA-N,,,,,,,,,,,
100.020.876,222-963-8,3681-93-4,"8-ß-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one","1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol",OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)cc4,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)cc4,"InChI=1/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2",C21H20O10,,,,,,SGEWCQFRYRRZDC-VPRICQMDSA-N,,,,,,,,,,,
100.020.877,222-964-3,3682-32-4,4-hydroxy-3-nitrosonaphthalene-1-sulphonic acid,4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid,Oc1c(cc(c2ccccc12)S(=O)(=O)O)N=O,Oc1c(cc(c2ccccc12)S(=O)(=O)O)N=O,"InChI=1/C10H7NO5S/c12-10-7-4-2-1-3-6(7)9(17(14,15)16)5-8(10)11-13/h1-5,12H,(H,14,15,16)",C10H7NO5S,,,,,,GASPSNIEUBWWJU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.880,222-968-5,3682-91-5,"2,6-dihydroxy-2,6-dimethylheptan-4-one","2,6-dihydroxy-2,6-dimethylheptan-4-one",CC(C)(O)CC(=O)CC(C)(C)O,CC(C)(O)CC(=O)CC(C)(C)O,"InChI=1/C9H18O3/c1-8(2,11)5-7(10)6-9(3,4)12/h11-12H,5-6H2,1-4H3",C9H18O3,,,,,,GSKOWRJEBKQTKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.624,231-485-9,7581-94-4,trans-2-piperidinocyclohexan-1-ol,2-piperidin-1-ylcyclohexanol,O[C@H]1CCCC[C@@H]1N2CCCCC2,O[C@H]1CCCC[C@@H]1N2CCCCC2,"InChI=1/C11H21NO/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12/h10-11,13H,1-9H2",C11H21NO,,,,,,UXCABTUQGBBPPF-QWRGUYRKSA-N,,,,,,,,,,,
100.030.131,233-158-6,10048-13-2,"(3aR-cis)3a,12c-dihydro-8-hydroxy-6-methoxy-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one","8-hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one",COc1cc2OC3OC=CC3c2c4Oc5cccc(O)c5C(=O)c14,COc1cc2OC3OC=CC3c2c4Oc5cccc(O)c5C(=O)c14,"InChI=1/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3",C18H12O6,,,,,,UTSVPXMQSFGQTM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.139,233-167-5,10049-08-8,Ruthenium trichloride,-,[Cl-].[Cl-].[Cl-].[Ru+2],[Cl-].[Cl-].[Cl-].[Ru+2],InChI=1/3ClH.Ru/h3*1H;/q;;;+2/p-3,Cl3Ru,,,,,,SJBXHTJATUAXJN-UHFFFAOYSA-K,,,,,,,,,,,
100.030.144,233-172-2,10049-17-9,Rhenium hexafluoride,rhenium hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[Re+2].[Re+2].[Re+2],[F-].[F-].[F-].[F-].[F-].[F-].[Re+2].[Re+2].[Re+2],InChI=1/6FH.3Re/h6*1H;;;/q;;;;;;3*+2/p-6,F6Re,,,,,,VGVUOFOFVYGNHF-UHFFFAOYSA-H,,,,,,,,,,,
100.030.154,233-183-2,10054-22-5,1-tetradecyl-5-oxopyrrolidine-3-carboxylic acid,5-oxo-1-tetradecylpyrrolidine-3-carboxylic acid,CCCCCCCCCCCCCCN1CC(CC1=O)C(=O)O,CCCCCCCCCCCCCCN1CC(CC1=O)C(=O)O,"InChI=1/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19(22)23)15-18(20)21/h17H,2-16H2,1H3,(H,22,23)",C19H35NO3,,,,,,WCDFDRGOVVEZCN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.155,233-184-8,10054-29-2,Tetradecyl dihydrogen phosphate,tetradecyl dihydrogen phosphate,CCCCCCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCCCCCOP(=O)(O)O,"InChI=1/C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)",C14H31O4P,,,,,,KRIXEEBVZRZHOS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.160,233-190-0,10058-44-3,Tetrairon tris(pyrophosphate),tetrairon tris(pyrophosphate),[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O,[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1/4Fe.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12",Fe.3/4H4O7P2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12264,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.160,CADNYOZXMIKYPR-UHFFFAOYSA-B,,,,,,,,,,,
100.030.162,233-192-1,10060-11-4,Germanium dichloride,germanium dichloride,[Cl-].[Cl-].[Ge+].[Ge+],[Cl-].[Cl-].[Ge+].[Ge+],InChI=1/2ClH.2Ge/h2*1H;;/q;;2*+4/p-2,Cl2Ge,,,,,,MCSJOGCGALTRPL-UHFFFAOYSA-L,,,,,,,,,,,
100.030.163,233-193-7,10060-26-1,Trimanganese dicitrate,trimanganese dicitrate,[Mn+2].[Mn+2].[Mn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Mn+2].[Mn+2].[Mn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Mn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3/2Mn,,,,,,OAVRWNUUOUXDFH-UHFFFAOYSA-H,,,,,,,,,,,
100.028.236,231-059-2,7425-49-2,Ethyl 3-bromobutyrate,ethyl 3-bromobutanoate,CCOC(=O)CC(C)Br,CCOC(=O)CC(C)Br,"InChI=1/C6H11BrO2/c1-3-9-6(8)4-5(2)7/h5H,3-4H2,1-2H3",C6H11BrO2,,,,,,OPXQLUFLTHEZST-UHFFFAOYSA-N,,,,,,,,,,,
100.028.239,231-062-9,7425-81-2,2-[(3-amino-4-methoxyphenyl)sulphonyl]ethanol,2-[(3-amino-4-methoxyphenyl)sulfonyl]ethanol,COc1ccc(cc1N)S(=O)(=O)CCO,COc1ccc(cc1N)S(=O)(=O)CCO,"InChI=1/C9H13NO4S/c1-14-9-3-2-7(6-8(9)10)15(12,13)5-4-11/h2-3,6,11H,4-5,10H2,1H3",C9H13NO4S,,,,,,DERMVGUSAPXPSM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.240,231-063-4,7425-93-6,"2,2'-[butane-1,4-diylbis(thio)]bisethanol","2,2'-(butane-1,4-diyldisulfanediyl)diethanol",OCCSCCCCSCCO,OCCSCCCCSCCO,"InChI=1/C8H18O2S2/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,1-8H2",C8H18O2S2,,,,,,FORJWQPDKXQQOG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.241,231-065-5,7426-71-3,Butylidynetrimethanol,"2-(hydroxymethyl)-2-propylpropane-1,3-diol",CCCC(CO)(CO)CO,CCCC(CO)(CO)CO,"InChI=1/C7H16O3/c1-2-3-7(4-8,5-9)6-10/h8-10H,2-6H2,1H3",C7H16O3,,,,,,SZSSMFVYZRQGIM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.245,231-069-7,7428-99-1,"4-methoxy-a,a-dimethylbenzyl alcohol",2-(4-methoxyphenyl)propan-2-ol,COc1ccc(cc1)C(C)(C)O,COc1ccc(cc1)C(C)(C)O,"InChI=1/C10H14O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4-7,11H,1-3H3",C10H14O2,,,,,,BFXOWZOXTDBCHP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.249,231-073-9,7429-91-6,Dysprosium,dysprosium,[Dy],[Dy],InChI=1/Dy/q+3,Dy,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18043,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.249,KBQHZAAAGSGFKK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.001,233-014-2,10019-03-1,N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide,3-[(3-nitrophenyl)carbamoyl]-2-naphthyl dihydrogen phosphate,OP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)[N+](=O)[O-],OP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)[N+](=O)[O-],"InChI=1/C17H13N2O7P/c20-17(18-13-6-3-7-14(10-13)19(21)22)15-8-11-4-1-2-5-12(11)9-16(15)26-27(23,24)25/h1-10H,(H,18,20)(H2,23,24,25)",C17H13N2O7P,,,,,,JELNBKZALJBEFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.011,233-025-2,10024-58-5,"1,2-ethanediylbis(oxy-2,1-ethanediyl) didecanoate","ethane-1,2-diylbis(oxyethane-2,1-diyl) didecanoate",CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCC,"InChI=1/C26H50O6/c1-3-5-7-9-11-13-15-17-25(27)31-23-21-29-19-20-30-22-24-32-26(28)18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C26H50O6,,,,,,KCNIYOMOUYURBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.023.073,225-380-7,4812-45-7,3-chloro-5-nitro-1H-indazole,3-chloro-5-nitro-1H-indazole,[O-][N+](=O)c1ccc2[nH]nc(Cl)c2c1,[O-][N+](=O)c1ccc2[nH]nc(Cl)c2c1,"InChI=1/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)",C7H4ClN3O2,,,,,,UOWPRWCAMGTPHI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.085,225-393-8,4819-75-4,Methoxyacetaldehyde-diethylacetal,"1,1-diethoxy-2-methoxyethane",CCOC(COC)OCC,CCOC(COC)OCC,"InChI=1/C7H16O3/c1-4-9-7(6-8-3)10-5-2/h7H,4-6H2,1-3H3",C7H16O3,,,,,,PCYADPMXIILFTP-UHFFFAOYSA-N,,,,,,,,,,,
100.023.087,225-395-9,9/04/4821,1-(isopropyl)-4-methylcyclohex-3-en-1-yl acetate,1-isopropyl-4-methylcyclohex-3-en-1-yl acetate,CC(C)C1(CCC(=CC1)C)OC(=O)C,CC(C)C1(CCC(=CC1)C)OC(=O)C,"InChI=1/C12H20O2/c1-9(2)12(14-11(4)13)7-5-10(3)6-8-12/h5,9H,6-8H2,1-4H3",C12H20O2,,,,,,BFCBRSFYYLSTAA-UHFFFAOYSA-N,,,,,,,,,,,
100.023.090,225-399-0,4824-78-6,Bromophos-ethyl,"O-(4-bromo-2,5-dichlorophenyl) O,O-diethyl thiophosphate",CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl,CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl,"InChI=1/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3",C10H12BrCl2O3PS,,,,,,KWGUFOITWDSNQY-UHFFFAOYSA-N,,,,,,,,,,,
100.023.092,225-402-5,4826-62-4,Dodec-2-en-1-al,dodec-2-enal,CCCCCCCCCC=CC=O,CCCCCCCCCC=CC=O,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3",C12H22O,,,,,,SSNZFFBDIMUILS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.103,225-414-0,4833-63-0,Cytidylyl(5'<U+2192>3')adenosine,-,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(CO)OC(C3O)n4cnc5c(N)ncnc45)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(CO)OC(C3O)n4cnc5c(N)ncnc45)C(O)C2O,"InChI=1/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)17-12(30)11(29)8(37-17)4-35-39(33,34)38-14-7(3-28)36-18(13(14)31)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)",C19H25N8O11P,,,,,,NHEPQPHJXSVOGF-UHFFFAOYSA-N,,,,,,,,,,,
100.023.108,225-419-8,4835-90-9,3-hydroxypivalic acid,"3-hydroxy-2,2-dimethylpropanoic acid",CC(C)(CO)C(=O)O,CC(C)(CO)C(=O)O,"InChI=1/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)",C5H10O3,,,,,,RDFQSFOGKVZWKF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.963,229-658-9,5/07/6642,"4-chloro-a,a'-bis(5-chloro-2-hydroxyphenyl)-2,6-xylenol","4-chloro-2,6-bis(5-chloro-2-hydroxybenzyl)phenol",Oc1ccc(Cl)cc1Cc2cc(Cl)cc(Cc3cc(Cl)ccc3O)c2O,Oc1ccc(Cl)cc1Cc2cc(Cl)cc(Cc3cc(Cl)ccc3O)c2O,"InChI=1/C20H15Cl3O3/c21-15-1-3-18(24)11(7-15)5-13-9-17(23)10-14(20(13)26)6-12-8-16(22)2-4-19(12)25/h1-4,7-10,24-26H,5-6H2",C20H15Cl3O3,,,,,,FXHQZEJEBWTOJA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.965,229-661-5,6642-30-4,Methyl methylcarbamate,methyl methylcarbamate,CNC(=O)OC,CNC(=O)OC,"InChI=1/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)",C3H7NO2,,,,,,NYXHSRNBKJIQQG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.970,229-666-2,6648-62-0,"4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl dimethylsulphamate","4-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]phenyl dimethylsulfamate",CN(C)S(=O)(=O)Oc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,CN(C)S(=O)(=O)Oc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C22H18N2O6S/c1-24(2)31(28,29)30-14-9-7-13(8-10-14)23-17-11-12-18(25)20-19(17)21(26)15-5-3-4-6-16(15)22(20)27/h3-12,23,25H,1-2H3",C22H18N2O6S,,,,,,JZYBRLDDDCKRCY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.971,229-667-8,6649-23-6,"2,3,5,6-tetrahydro-6-phenyl-imidazo[2,1-b]thiazole","6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole",C1CN2CC(N=C2S1)c3ccccc3,C1CN2CC(N=C2S1)c3ccccc3,"InChI=1/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2",C11H12N2S,,,,,,HLFSDGLLUJUHTE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.986,229-684-0,6655-96-5,"Trisodium 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,6-disulphonate","trisodium 7-({4'-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-8-hydroxynaphthalene-1,6-disulfonate",[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(N=Nc6c(cc5cc(Nc4ccccc4)ccc5c6O)S([O-])(=O)=O)c(OC)c7,[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(N=Nc6c(cc5cc(Nc4ccccc4)ccc5c6O)S([O-])(=O)=O)c(OC)c7,"InChI=1/C40H31N5O13S3.3Na/c1-57-31-18-22(11-15-29(31)42-44-37-35(61(54,55)56)21-25-17-27(13-14-28(25)39(37)46)41-26-8-4-3-5-9-26)23-12-16-30(32(19-23)58-2)43-45-38-34(60(51,52)53)20-24-7-6-10-33(59(48,49)50)36(24)40(38)47;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C40H31N5O13S3.3Na,,,,,,IPLMDVUXIBTTFD-UHFFFAOYSA-K,,,,,,,,,,,
100.026.990,229-688-2,6656-49-1,"a,a,a-trifluoro-3-nitro-o-xylene",2-methyl-1-nitro-3-(trifluoromethyl)benzene,Cc1c(cccc1C(F)(F)F)[N+](=O)[O-],Cc1c(cccc1C(F)(F)F)[N+](=O)[O-],"InChI=1/C8H6F3NO2/c1-5-6(8(9,10)11)3-2-4-7(5)12(13)14/h2-4H,1H3",C8H6F3NO2,,,,,,KQUQBPVYIURTNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.628,231-490-6,7583-84-8,cis-2-piperidinocyclohexan-1-ol,2-piperidin-1-ylcyclohexanol,O[C@H]1CCCC[C@H]1N2CCCCC2,O[C@H]1CCCC[C@H]1N2CCCCC2,"InChI=1/C11H21NO/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12/h10-11,13H,1-9H2",C11H21NO,,,,,,UXCABTUQGBBPPF-MNOVXSKESA-N,,,,,,,,,,,
100.030.133,233-160-7,10048-99-4,Barium tetraiodomercurate,barium tetraiodomercurate(2-),[Ba+2].I[Hg-2](I)(I)I,[Ba+2].I[Hg-2](I)(I)I,"InChI=1/Ba.Hg.4HI/h;;4*1H/q2*+2;;;;/p-4/rBa.HgI4/c;2-1(3,4)5/q+2;-2",Ba.HgI4,,,,,,LLDBJTHCIWPPKQ-UHFFFAOYSA-J,,,,,,,,,,,
100.030.136,233-163-3,10049-05-5,Chromium dichloride,chromium(2+) dichloride,[Cl-].[Cl-].[Cr+2],[Cl-].[Cl-].[Cr+2],InChI=1/2ClH.Cr/h2*1H;/q;;+2/p-2,Cl2Cr,,,,,,XBWRJSSJWDOUSJ-UHFFFAOYSA-L,,,,,,,,,,,
100.030.141,233-169-6,10049-12-4,Vanadium trifluoride,-,[F-].[F-].[F-].[V+2],[F-].[F-].[F-].[V+2],InChI=1/3FH.V/h3*1H;/q;;;+2/p-3,F3V,,,,,,MVESVASMVKXBPG-UHFFFAOYSA-K,,,,,,,,,,,
100.030.143,233-171-7,10049-16-8,Vanadium tetrafluoride,vanadium tetrafluoride,[F-].[F-].[F-].[F-].[V+2].[V+2],[F-].[F-].[F-].[F-].[V+2].[V+2],InChI=1/4FH.2V/h4*1H;;/q;;;;2*+2/p-4,F4V,,,,,,SPJCKOHIUSIBES-UHFFFAOYSA-J,,,,,,,,,,,
100.030.145,233-173-8,10049-23-7,Dihydrogen trioxotellurate,dihydrogen trioxotellurate,O=[Te-2](=O)=O,O=[Te-2](=O)=O,InChI=1/O3Te/c1-4(2)3/q-2,H2O3Te,,,,,,OWEINVUWRNALPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.146,233-174-3,10049-24-8,Iridium tribromide,iridium(3+) tribromide,[Br-].[Br-].[Br-].[Ir+3],[Br-].[Br-].[Br-].[Ir+3],InChI=1/3BrH.Ir/h3*1H;/q;;;+3/p-3,Br3Ir,,,,,,HTFVQFACYFEXPR-UHFFFAOYSA-K,,,,,,,,,,,
100.030.149,233-178-5,10049-83-9,Pyritinol dihydrochloride,"5,5'-[disulfanediylbis(methylene)]bis[4-(hydroxymethyl)-2-methylpyridin-3-ol] dihydrochloride",Cl.Cl.Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,Cl.Cl.Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,"InChI=1/C16H20N2O4S2.2ClH/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;2*1H",C16H20N2O4S2.2ClH,,,,,,HRZWYHGGJOWGRI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.152,233-181-1,10054-20-3,1-octadecyl-5-oxopyrrolidine-3-carboxylic acid,1-octadecyl-5-oxopyrrolidine-3-carboxylic acid,CCCCCCCCCCCCCCCCCCN1CC(CC1=O)C(=O)O,CCCCCCCCCCCCCCCCCCN1CC(CC1=O)C(=O)O,"InChI=1/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25/h21H,2-20H2,1H3,(H,26,27)",C23H43NO3,,,,,,YNVVGWVZIYAFNV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.153,233-182-7,10054-21-4,1-dodecyl-5-oxopyrrolidine-3-carboxylic acid,1-dodecyl-5-oxopyrrolidine-3-carboxylic acid,CCCCCCCCCCCCN1CC(CC1=O)C(=O)O,CCCCCCCCCCCCN1CC(CC1=O)C(=O)O,"InChI=1/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17(20)21)13-16(18)19/h15H,2-14H2,1H3,(H,20,21)",C17H31NO3,,,,,,ZNQTZHTYSHEJLH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.161,233-191-6,10059-13-9,2-methylundecane-2-thiol,2-methylundecane-2-thiol,CCCCCCCCCC(C)(C)S,CCCCCCCCCC(C)(C)S,"InChI=1/C12H26S/c1-4-5-6-7-8-9-10-11-12(2,3)13/h13H,4-11H2,1-3H3",C12H26S,,,,,,FRQQKWGDKVGLFI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.164,233-194-2,10060-88-5,2-imino-a-phenylthiazolidin-3-ethanol,"2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol",OC(CN1CCSC1=N)c2ccccc2,OC(CN1CCSC1=N)c2ccccc2,"InChI=1/C11H14N2OS/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2",C11H14N2OS,,,,,,UTHQDRBQLOYOFO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.231,231-054-5,7424-54-6,"Heptane-3,5-dione","heptane-3,5-dione",CCC(=O)CC(=O)CC,CCC(=O)CC(=O)CC,"InChI=1/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3",C7H12O2,,,,,,DGCTVLNZTFDPDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.233,231-056-6,9/12/7425,Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium,3-[hexadecyl(dimethyl)ammonio]-2-hydroxypropane-1-sulfonate,CCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-],CCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-],"InChI=1/C21H45NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2,3)19-21(23)20-27(24,25)26/h21,23H,4-20H2,1-3H3",C21H45NO4S,,,,,,OSPOJLWAJPWJTO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.234,231-057-1,7425-14-1,2-ethylhexyl 2-ethylhexanoate,2-ethylhexyl 2-ethylhexanoate,CCCCC(CC)COC(=O)C(CC)CCCC,CCCCC(CC)COC(=O)C(CC)CCCC,"InChI=1/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3",C16H32O2,,,,,,OUCGJMIVSYHBEC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.237,231-060-8,7425-60-7,Ethyl 2-bromononan-1-oate,ethyl 2-bromononanoate,CCCCCCCC(Br)C(=O)OCC,CCCCCCCC(Br)C(=O)OCC,"InChI=1/C11H21BrO2/c1-3-5-6-7-8-9-10(12)11(13)14-4-2/h10H,3-9H2,1-2H3",C11H21BrO2,,,,,,QARKIRQNOLQDFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.243,231-067-6,7427-68-1,"Octyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate","octyl icosa-5,8,11,14-tetraenoate",CCCCCCCCOC(=O)CCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCCC,CCCCCCCCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,"InChI=1/C28H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(29)30-27-25-23-10-8-6-4-2/h11-12,14-15,17-18,20-21H,3-10,13,16,19,22-27H2,1-2H3",C28H48O2,,,,,,SNBGYRRBRAGXNX-FORXSXPXSA-N,,,,,,,,,,,
100.028.244,231-068-1,7428-48-0,"Stearic acid, lead salt",-,[Pb].OC(=O)CCCCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C18H36O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;;/q;+4;;/rC18H36O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H2/q;+4",C18H36O2.xPb,,,,,,ONUFRYFLRFLSOM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.881,222-969-0,3/12/3683,Phenethyl methacrylate,2-phenylethyl methacrylate,CC(=C)C(=O)OCCc1ccccc1,CC(=C)C(=O)OCCc1ccccc1,"InChI=1/C12H14O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3",C12H14O2,,,,,,ILZXXGLGJZQLTR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.890,222-979-5,3687-31-8,Trilead diarsenate,trilead diarsenate,[Pb+4].[Pb+4].[Pb+4].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],[Pb+4].[Pb+4].[Pb+4].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],"InChI=1/2AsH3O4.3Pb/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+4/p-6",AsH3O4.3/2Pb,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12768,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.890,GXUVTUWOPYETSV-UHFFFAOYSA-H,,,,,,,,,,,
100.020.900,222-990-5,3688-66-2,Nicocodine,"3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl nicotinate",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@]46CCN3C,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@]46CCN3C,"InChI=1/C24H24N2O4/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26/h3-8,10,13,16-17,19,22H,9,11-12H2,1-2H3",C24H24N2O4,,,,,,RYBGRHAWFUVMST-MJFIPZRTSA-N,,,,,,,,,,,
100.015.745,217-319-8,1810-62-4,"1,2-dihydro-2,2,4,7-tetramethylquinoline","2,2,4,7-tetramethyl-1,2-dihydroquinoline",CC1=CC(C)(C)Nc2cc(C)ccc12,CC1=CC(C)(C)Nc2cc(C)ccc12,"InChI=1/C13H17N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-8,14H,1-4H3",C13H17N,,,,,,FUAAZWAMEVOHDT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.747,217-321-9,1811-31-0,N-acetyl-ß-D-galactosamine,2-acetamido-2-deoxyhexopyranose,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O,"InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)",C8H15NO6,,,,,,OVRNDRQMDRJTHS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.877,216-364-0,1565-75-9,2-phenylbutan-2-ol,2-phenylbutan-2-ol,CCC(C)(O)c1ccccc1,CCC(C)(O)c1ccccc1,"InChI=1/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3",C10H14O,,,,,,XGLHYBVJPSZXIF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.880,216-367-7,1565-94-2,"(1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)] bismethacrylate","propane-2,2-diylbis(4,1-phenyleneoxy-2-hydroxypropane-3,1-diyl) bis(2-methylacrylate)",CC(=C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2,CC(=C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2,"InChI=1/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3",C29H36O8,,,,,,AMFGWXWBFGVCKG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.881,216-368-2,1566-42-3,(4-methoxyphenyl)urea,1-(4-methoxyphenyl)urea,COc1ccc(NC(=O)N)cc1,COc1ccc(NC(=O)N)cc1,"InChI=1/C8H10N2O2/c1-12-7-4-2-6(3-5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",C8H10N2O2,,,,,,PGUKYDVWVXRPKK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.883,216-370-3,1567-85-7,Methyl cyanocycloheptylideneacetate,methyl cyano(cycloheptylidene)acetate,COC(=O)C(=C1CCCCCC1)C#N,COC(=O)C(=C1CCCCCC1)C#N,"InChI=1/C11H15NO2/c1-14-11(13)10(8-12)9-6-4-2-3-5-7-9/h2-7H2,1H3",C11H15NO2,,,,,,SAJZJKZFYYBKKL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.885,216-372-4,1569-01-3,1-propoxypropan-2-ol,1-propoxypropan-2-ol,CCCOCC(C)O,CCCOCC(C)O,"InChI=1/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3",C6H14O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2020,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.885,FENFUOGYJVOCRY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.886,216-374-5,1569-02-4,1-ethoxypropan-2-ol,1-ethoxypropan-2-ol,CCOCC(C)O,CCOCC(C)O,"InChI=1/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3",C5H12O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1984,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.886,JOLQKTGDSGKSKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.894,216-382-9,1570-65-6,"4,6-dichloro-o-cresol","2,4-dichloro-6-methylphenol",Cc1cc(Cl)cc(Cl)c1O,Cc1cc(Cl)cc(Cl)c1O,"InChI=1/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3",C7H6Cl2O,,,,,,WJQZZLQMLJPKQH-UHFFFAOYSA-N,Negative,,,,,,SM806853,[M-H]-,HCD35,174.9723:118.9656:132.9817,CASMI_2016
100.014.897,216-386-0,1571-13-7,"3,4,5,6-tetrachlorophthalimide","4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione",Clc1c(Cl)c(Cl)c2C(=O)NC(=O)c2c1Cl,Clc1c(Cl)c(Cl)c2C(=O)NC(=O)c2c1Cl,"InChI=1/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)",C8HCl4NO2,,,,,,LPUUYZVKCMCHLO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.898,216-387-6,1571-20-6,"3,4,5,6-tetrachloro-N-dodecylphthalimide","2-(3,4,5,6-tetrachlorododecyl)-1H-isoindole-1,3(2H)-dione",CCCCCCC(Cl)C(Cl)C(Cl)C(Cl)CCN1C(=O)c2ccccc2C1=O,CCCCCCC(Cl)C(Cl)C(Cl)C(Cl)CCN1C(=O)c2ccccc2C1=O,"InChI=1/C20H25Cl4NO2/c1-2-3-4-5-10-15(21)17(23)18(24)16(22)11-12-25-19(26)13-8-6-7-9-14(13)20(25)27/h6-9,15-18H,2-5,10-12H2,1H3",C20H25Cl4NO2,,,,,,IRGAYVUCEPFASV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.903,216-392-3,1572-55-0,"4-(aminomethyl)octane-1,8-diamine","4-(aminomethyl)octane-1,8-diamine",NCCCCC(CN)CCCN,NCCCCC(CN)CCCN,"InChI=1/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2",C9H23N3,,,,,,HMJBXEZHJUYJQY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.913,216-403-1,1575-61-7,5-chlorovaleryl chloride,5-chloropentanoyl chloride,ClCCCCC(=O)Cl,ClCCCCC(=O)Cl,InChI=1/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2,C5H8Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11585,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.913,SVNNWKWHLOJLOK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.396,243-352-2,19823-28-0,Ethyl 2-cyano-3-methylhexanoate,ethyl 2-cyano-3-methylhexanoate,CCCC(C)C(C#N)C(=O)OCC,CCCC(C)C(C#N)C(=O)OCC,"InChI=1/C10H17NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h8-9H,4-6H2,1-3H3",C10H17NO2,,,,,,FIJVOSSCAUGKQY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.012,233-026-8,10024-64-3,Linalyl octanoate,"1,5-dimethyl-1-vinylhex-4-en-1-yl octanoate",CCCCCCCC(=O)OC(C)(CCC=C(C)C)C=C,CCCCCCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3",C18H32O2,,,,,,OJKMRECJBIPPRG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.015,233-029-4,10024-89-2,Morpholine hydrochloride,morpholine hydrochloride,Cl.C1COCCN1,Cl.C1COCCN1,"InChI=1/C4H9NO.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H",C4H9NO.ClH,,,,,,JXYZHMPRERWTPM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.021,233-036-2,10025-67-9,Disulphur dichloride,disulphur dichloride,[SH4+2].[SH4+2].[Cl-].[Cl-],[SH4+2].[SH4+2].[Cl-].[Cl-],InChI=1/2ClH.2H4S/h2*1H;2*1H4/q;;2*+2/p-2,Cl2S2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10679,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.021,RXLJBOFUNKFQDS-UHFFFAOYSA-L,,,,,,,,,,,
100.030.022,233-037-8,10025-68-0,Selenium chloride,selenium(2+) dichloride,[Cl-].[Cl-].[SeH4+2],[Cl-].[Cl-].[SeH4+2],InChI=1/2ClH.H4Se/h2*1H;1H4/q;;+2/p-2,Cl2Se2,,,,,,HBCAFUFLAOYNFT-UHFFFAOYSA-L,,,,,,,,,,,
100.030.031,233-047-2,10025-91-9,Antimony trichloride,antimony(3+) trichloride,[Cl-].[Cl-].[Cl-].[SbH3+3],[Cl-].[Cl-].[Cl-].[SbH3+3],InChI=1/3ClH.Sb.3H/h3*1H;;;;/q;;;+3;;;/p-3/r3ClH.H3Sb/h3*1H;1H3/q;;;+3/p-3,Cl3Sb,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12123,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.031,ONBWKRXCQZVOEZ-UHFFFAOYSA-K,,,,,,,,,,,
100.030.032,233-048-8,10025-97-5,Iridium tetrachloride,-,[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3],[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3],InChI=1/4ClH.Ir/h4*1H;/q;;;;+3/p-4,Cl4Ir,,,,,,ZSKCYRQOFSOVNM-UHFFFAOYSA-J,,,,,,,,,,,
100.027.069,229-775-5,6724-53-4,"2-(2,2-dicyclohexylethyl)piperidinium hydrogen maleate","2-(2,2-dicyclohexylethyl)piperidinium hydrogen but-2-enedioate",[O-]C(=O)\\C=C/C(=O)[O-].C(C(C1CCCCC1)C2CCCCC2)C3CCCC[NH2+]3,[O-]C(=O)\C=C/C(=O)[O-].C(C(C1CCCCC1)C2CCCCC2)C3CCCC[NH2+]3,"InChI=1/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/p-1",C19H35N.C4H4O4,,,,,,JDZOTSLZMQDFLG-BTJKTKAUSA-M,,,,,,,,,,,
100.027.073,229-779-7,6728-31-0,(Z)-hept-4-enal,hept-4-enal,CC\\C=C/CCC=O,CC\C=C/CCC=O,"InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3",C7H12O,,,,,,VVGOCOMZRGWHPI-ARJAWSKDSA-N,,,,,,,,,,,
100.027.084,229-791-2,6737-42-4,"Propane-1,3-diylbis(diphenylphosphine)","propane-1,3-diylbis(diphenylphosphine)",C(CP(c1ccccc1)c2ccccc2)CP(c3ccccc3)c4ccccc4,C(CP(c1ccccc1)c2ccccc2)CP(c3ccccc3)c4ccccc4,"InChI=1/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2",C27H26P2,,,,,,LVEYOSJUKRVCCF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.087,229-794-9,6738-23-4,"2,4-dimethylanisole","1-methoxy-2,4-dimethylbenzene",COc1ccc(C)cc1C,COc1ccc(C)cc1C,"InChI=1/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3",C9H12O,,,,,,UJCFZCTTZWHRNL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.090,229-798-0,6739-34-0,Propyl cyclohexanecarboxylate,propyl cyclohexanecarboxylate,CCCOC(=O)C1CCCCC1,CCCOC(=O)C1CCCCC1,"InChI=1/C10H18O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h9H,2-8H2,1H3",C10H18O2,,,,,,UBEVLTHYAFYOEU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.096,229-805-7,6741-88-4,"Inosine 2',3',5'-tribenzoate","9-(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)-9H-purin-6-ol",Oc1ncnc2c1ncn2[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c5ccccc5)[C@H]3OC(=O)c6ccccc6,Oc1ncnc2c1ncn2[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c5ccccc5)[C@H]3OC(=O)c6ccccc6,"InChI=1/C31H24N4O8/c36-27-23-26(32-17-33-27)35(18-34-23)28-25(43-31(39)21-14-8-3-9-15-21)24(42-30(38)20-12-6-2-7-13-20)22(41-28)16-40-29(37)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,28H,16H2,(H,32,33,36)",C31H24N4O8,,,,,,HYIROYSRWYWYBO-ZYWWQZICSA-N,,,,,,,,,,,
100.027.099,229-808-3,6749-36-6,"9-(2-carboxy-4-isothiocyanatophenyl)-3,6-bis(dimethylamino)xanthylium chloride","9-(2-carboxy-4-isothiocyanatophenyl)-3,6-bis(dimethylamino)xanthenium chloride",[Cl-].CN(C)c1ccc2c(c3ccc(cc3C(=O)O)N=C=S)c4ccc(cc4[o+]c2c1)N(C)C,[Cl-].CN(C)c1ccc2c(c3ccc(cc3C(=O)O)N=C=S)c4ccc(cc4[o+]c2c1)N(C)C,"InChI=1/C25H21N3O3S.ClH/c1-27(2)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)18-8-5-15(26-14-32)11-21(18)25(29)30;/h5-13H,1-4H3;1H",C25H22N3O3S.Cl,,,,,,FVHXZPGGLFJWSJ-UHFFFAOYSA-M,,,,,,,,,,,
100.027.109,229-819-3,8/06/6757,Cytidine 5'-(disodium phosphate),disodium 4-amino-1-(5-O-phosphonatopentofuranosyl)pyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O[Na])O[Na])C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O[Na])O[Na])C(O)C2O,"InChI=1/C9H14N3O8P.2Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);;/q;2*+1/p-2/rC9H12N3Na2O8P/c10-5-1-2-12(9(17)11-5)8-7(16)6(15)4(20-8)3-19-23(18,21-13)22-14/h1-2,4,6-8,15-16H,3H2,(H2,10,11,17)",C9H14N3O8P.2Na,,,,,,INTPYBRGLGSMRA-UHFFFAOYSA-L,,,,,,,,,,,
100.026.646,229-310-6,6471-17-6,"Disodium 5,5'-[thiobis(p-phenyleneazo)]disalicylate","disodium 3,3'-[sulfanediylbis(4,1-phenylenediazene-2,1-diyl)]bis(6-hydroxybenzoate)",[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Sc3ccc(cc3)N=Nc4cc(C([O-])=O)c(O)cc4,[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Sc3ccc(cc3)N=Nc4cc(C([O-])=O)c(O)cc4,"InChI=1/C26H18N4O6S.2Na/c31-23-11-5-17(13-21(23)25(33)34)29-27-15-1-7-19(8-2-15)37-20-9-3-16(4-10-20)28-30-18-6-12-24(32)22(14-18)26(35)36;;/h1-14,31-32H,(H,33,34)(H,35,36);;/q;2*+1/p-2",C26H18N4O6S.2Na,,,,,,XJOHJQHIUPCTSS-UHFFFAOYSA-L,,,,,,,,,,,
100.026.534,229-187-9,6424-77-7,"2,9-bis(p-anisyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(4-methoxyphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",COc1ccc(cc1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(OC)cc9,COc1ccc(cc1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(OC)cc9,"InChI=1/C38H22N2O6/c1-45-21-7-3-19(4-8-21)39-35(41)27-15-11-23-25-13-17-29-34-30(38(44)40(37(29)43)20-5-9-22(46-2)10-6-20)18-14-26(32(25)34)24-12-16-28(36(39)42)33(27)31(23)24/h3-18H,1-2H3",C38H22N2O6,,,,,,VZFVREBNFMQPSI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.540,229-194-7,6425-39-4,"2,2'-dimorpholinyldiethyl ether","4,4'-(oxydiethane-2,1-diyl)dimorpholine",C(CN1CCOCC1)OCCN2CCOCC2,C(CN1CCOCC1)OCCN2CCOCC2,InChI=1/C12H24N2O3/c1-7-15-8-2-13(1)5-11-17-12-6-14-3-9-16-10-4-14/h1-12H2,C12H24N2O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13298,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.540,ZMSQJSMSLXVTKN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.547,229-201-3,6427-98-1,Octadecyl(dimethyl)ammonium ditridecyl phosphate,"N,N-dimethyloctadecan-1-aminium ditridecyl phosphate",CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC,"InChI=1/C26H55O4P.C20H43N/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h3-26H2,1-2H3,(H,27,28);4-20H2,1-3H3",C26H55O4P.C20H43N,,,,,,UICHMASMHUXHBX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.549,229-203-4,6428-18-8,"Tetrasodium 5-(acetylamino)-3-[[4-[[3,5-dimethyl-4-[(8-sulphonato-2-naphthyl)azo]phenyl]azo]-2-ethoxy-6-sulphonato-1-naphthyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","tetrasodium 5-acetamido-3-{[4-({3,5-dimethyl-4-[(8-sulfonato-2-naphthyl)diazenyl]phenyl}diazenyl)-2-ethoxy-6-sulfonato-1-naphthyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc2ccc(cc12)N=Nc3c(C)cc(cc3C)N=Nc6cc(OCC)c(N=Nc5c(cc4cc(cc(NC(C)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(cc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc2ccc(cc12)N=Nc3c(C)cc(cc3C)N=Nc6cc(OCC)c(N=Nc5c(cc4cc(cc(NC(C)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(cc67)S([O-])(=O)=O,"InChI=1/C42H35N7O15S4.4Na/c1-5-64-35-20-33(46-45-27-13-21(2)39(22(3)14-27)47-44-26-10-9-24-7-6-8-36(31(24)17-26)67(58,59)60)32-18-28(65(52,53)54)11-12-30(32)40(35)48-49-41-37(68(61,62)63)16-25-15-29(66(55,56)57)19-34(43-23(4)50)38(25)42(41)51;;;;/h6-20,51H,5H2,1-4H3,(H,43,50)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4",C42H35N7O15S4.4Na,,,,,,UNRFTGAEECGZGJ-UHFFFAOYSA-J,,,,,,,,,,,
100.026.550,229-205-5,6428-19-9,Tetrasodium 5-[[6-[(3-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-6-ethoxy-8-[[7-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonate,tetrasodium 7-[(3-aminobenzoyl)amino]-3-{[2-ethoxy-6-sulfonato-4-({7-sulfonato-4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc8ccc(N=Nc5cc(OCC)c(N=Nc4c(cc3cc(NC(=O)c2cccc(N)c2)ccc3c4O)S([O-])(=O)=O)c6ccc(cc56)S([O-])(=O)=O)c7cc(ccc78)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc8ccc(N=Nc5cc(OCC)c(N=Nc4c(cc3cc(NC(=O)c2cccc(N)c2)ccc3c4O)S([O-])(=O)=O)c6ccc(cc56)S([O-])(=O)=O)c7cc(ccc78)S([O-])(=O)=O,"InChI=1/C45H34N8O15S4.4Na/c1-2-68-40-23-39(51-50-38-16-15-37(33-13-10-30(21-35(33)38)70(59,60)61)49-48-28-7-4-8-29(20-28)69(56,57)58)36-22-31(71(62,63)64)11-14-34(36)42(40)52-53-43-41(72(65,66)67)19-25-18-27(9-12-32(25)44(43)54)47-45(55)24-5-3-6-26(46)17-24;;;;/h3-23,54H,2,46H2,1H3,(H,47,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4",C45H34N8O15S4.4Na,,,,,,UIDVUKKCVSAGHS-UHFFFAOYSA-J,,,,,,,,,,,
100.026.551,229-206-0,6428-26-8,"Trisodium 2,4-bis[[2,4-diamino-5-[(3-sulphonatophenyl)azo]phenyl]azo]benzenesulphonate","trisodium 2,4-bis({2,4-diamino-5-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)benzenesulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc5cc(N=Nc4cc(N=Nc3cc(N=Nc2cccc(c2)S([O-])(=O)=O)c(N)cc3N)c(cc4)S([O-])(=O)=O)c(N)cc5N,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc5cc(N=Nc4cc(N=Nc3cc(N=Nc2cccc(c2)S([O-])(=O)=O)c(N)cc3N)c(cc4)S([O-])(=O)=O)c(N)cc5N,"InChI=1/C30H26N12O9S3.3Na/c31-21-12-22(32)26(14-25(21)38-35-16-3-1-5-19(9-16)52(43,44)45)40-37-18-7-8-30(54(49,50)51)29(11-18)42-41-28-15-27(23(33)13-24(28)34)39-36-17-4-2-6-20(10-17)53(46,47)48;;;/h1-15H,31-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C30H26N12O9S3.3Na,,,,,,FNMUSJRVXAQLRS-UHFFFAOYSA-K,,,,,,,,,,,
100.026.552,229-207-6,6428-27-9,"Disodium 4-[[2,4-diamino-5-[(3-sulphonatophenyl)azo]phenyl]azo]-2-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonate","disodium 4-({2,4-diamino-5-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)-2-({2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)benzenesulfonate",[Na+].[Na+].Oc4c(ccc(O)c4N=Nc3cc(N=Nc2cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(N)cc2N)ccc3S([O-])(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O,[Na+].[Na+].Oc4c(ccc(O)c4N=Nc3cc(N=Nc2cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(N)cc2N)ccc3S([O-])(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O,"InChI=1/C30H23N11O10S2.2Na/c31-21-14-22(32)25(15-24(21)37-34-17-2-1-3-20(12-17)52(46,47)48)38-35-18-6-11-28(53(49,50)51)26(13-18)39-40-29-27(42)10-9-23(30(29)43)36-33-16-4-7-19(8-5-16)41(44)45;;/h1-15,42-43H,31-32H2,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2",C30H23N11O10S2.2Na,,,,,,ZDPBEKOHGJQFOB-UHFFFAOYSA-L,,,,,,,,,,,
100.039.399,243-355-9,19832-98-5,"1,2,3,4-tetrahydro-4-methylnaphthalen-1-one","4-methyl-3,4-dihydronaphthalen-1(2H)-one",CC1CCC(=O)c2ccccc12,CC1CCC(=O)c2ccccc12,"InChI=1/C11H12O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-5,8H,6-7H2,1H3",C11H12O,,,,,,SRLHDEROUKFEMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.401,243-358-5,19833-78-4,Diethylammonium iodide,N-ethylethanaminium iodide,[I-].CC[NH2+]CC,[I-].CC[NH2+]CC,"InChI=1/C4H11N.HI/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H",C4H11N.HI,,,,,,YYMLRIWBISZOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.412,243-370-0,19851-61-7,Dibenzyl terephthalate,dibenzyl terephthalate,O=C(OCc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3,O=C(OCc1ccccc1)c2ccc(cc2)C(=O)OCc3ccccc3,"InChI=1/C22H18O4/c23-21(25-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(24)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2",C22H18O4,,,,,,IWGFEQWCMAADJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.427,243-386-8,19872-52-7,4-mercapto-4-methylpentan-2-one,4-methyl-4-sulfanylpentan-2-one,CC(=O)CC(C)(C)S,CC(=O)CC(C)(C)S,"InChI=1/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",C6H12OS,,,,,,QRNZMFDCKKEPSX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.430,243-389-4,19878-61-6,"2,5-bis[(1,1,3,3-tetramethylbutyl)dithio]-1,3,4-thiadiazole","2,5-bis[(1,1,3,3-tetramethylbutyl)disulfanyl]-1,3,4-thiadiazole",CC(C)(C)CC(C)(C)SSc1nnc(SSC(C)(C)CC(C)(C)C)s1,CC(C)(C)CC(C)(C)SSc1nnc(SSC(C)(C)CC(C)(C)C)s1,"InChI=1/C18H34N2S5/c1-15(2,3)11-17(7,8)24-22-13-19-20-14(21-13)23-25-18(9,10)12-16(4,5)6/h11-12H2,1-10H3",C18H34N2S5,,,,,,LRYZVOQZDMSPCB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.438,243-398-3,19883-29-5,"(E,E)-undeca-1,3,5-triene","undeca-1,3,5-triene",CCCCC\\C=C\\C=C\\C=C,CCCCC\C=C\C=C\C=C,"InChI=1/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3",C11H18,,,,,,JQQDKNVOSLONRS-JEGFTUTRSA-N,,,,,,,,,,,
100.039.440,243-400-2,19888-56-3,Fluazacort,"2-(4b-fluoro-5-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,"InChI=1/C25H30FNO6/c1-13-27-25(20(31)12-32-14(2)28)21(33-13)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30H,5-6,10-12H2,1-4H3",C25H30FNO6,,,,,,BYZCJOHDXLROEC-RBWIMXSLSA-N,,,,,,,,,,,
100.039.443,243-403-9,19889-94-2,"[1R-(1a,2a,3ß,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.110,224-320-7,4306-88-1,"2,6-di-tert-butyl-4-nonylphenol","2,6-di-tert-butyl-4-nonylphenol",CCCCCCCCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCCCCCCCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C23H40O/c1-8-9-10-11-12-13-14-15-18-16-19(22(2,3)4)21(24)20(17-18)23(5,6)7/h16-17,24H,8-15H2,1-7H3",C23H40O,,,,,,VQQLTEBUMLSLFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.112,224-322-8,4309-82-4,N-formyl-DL-methionine,N-formyl-L-methionine,O=CN[C@@H](CCSC)C(O)=O,O=CN[C@@H](CCSC)C(O)=O,"InChI=1/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)",C6H11NO3S,,,,,,PYUSHNKNPOHWEZ-YFKPBYRVSA-N,,,,,,,,,,,
100.022.119,224-330-1,4314-14-1,"2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one","5-methyl-2-phenyl-4-(phenyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one",C/C3=N/N(c1ccccc1)C(=O)C3N=Nc2ccccc2,C/C3=N/N(c1ccccc1)C(=O)C3N=Nc2ccccc2,"InChI=1/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3",C16H14N4O,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15726,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.119,XCKGFJPFEHHHQA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.121,224-332-2,4314-68-5,3-(4-methoxyphenyl)-2-phenylpropionic acid,3-(4-methoxyphenyl)-2-phenylpropanoic acid,COc1ccc(CC(C(=O)O)c2ccccc2)cc1,COc1ccc(CC(C(=O)O)c2ccccc2)cc1,"InChI=1/C16H16O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,17,18)",C16H16O3,,,,,,GIROORGDVPRQFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.500,219-248-8,2395-00-8,Potassium perfluorooctanoate,pentadecafluorooctanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)",C8HF15O2.K,,,,,,SNGREZUHAYWORS-UHFFFAOYSA-N,Negative,,,,,,SM877354;EA271751|EA271752|EA271753|EA271754|EA271757|EA271758|EA271759|EA271760,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD90|HCD15|HCD30|HCD45,368.9761:168.9893;368.9771:168.9893:218.9863|368.9756:168.9891:218.9854|168.9893|168.9896|412.9758:368.9777|368.9768:168.9891:218.9856|168.9891:218.986|168.989:412.9771,CASMI_2016;Eawag
100.017.506,219-255-6,2396-68-1,4-tert-butylbenzenethiol,4-tert-butylbenzenethiol,CC(C)(C)c1ccc(S)cc1,CC(C)(C)c1ccc(S)cc1,"InChI=1/C10H14S/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",C10H14S,,,,,,GNXBFFHXJDZGEK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.513,219-262-4,2397-75-3,2-(dibutylamino)ethyl methacrylate,2-(dibutylamino)ethyl methacrylate,CCCCN(CCCC)CCOC(=O)C(=C)C,CCCCN(CCCC)CCOC(=O)C(=C)C,"InChI=1/C14H27NO2/c1-5-7-9-15(10-8-6-2)11-12-17-14(16)13(3)4/h3,5-12H2,1-2,4H3",C14H27NO2,,,,,,UATUCIKYJLUTBD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.519,219-269-2,2399-73-7,Triethylammonium sulphate (2:1),"bis(N,N-diethylethanaminium) sulfate",CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]S(=O)(=O)[O-],CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]S(=O)(=O)[O-],"InChI=1/2C6H15N.H2O4S/c2*1-4-7(5-2)6-3;1-5(2,3)4/h2*4-6H2,1-3H3;(H2,1,2,3,4)",C6H15N.1/2H2O4S,,,,,,NKNFUMKGJYKPCT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.653,229-317-4,6471-73-4,"7-amino-5-phenyl-2,3-bis(phenylamino)phenazinium chloride","7-amino-2,3-dianilino-5-phenylphenazin-5-ium chloride",[Cl-].Nc1ccc2nc3cc(Nc4ccccc4)c(Nc5ccccc5)cc3[n+](c6ccccc6)c2c1,[Cl-].Nc1ccc2nc3cc(Nc4ccccc4)c(Nc5ccccc5)cc3[n+](c6ccccc6)c2c1,"InChI=1/C30H23N5.ClH/c31-21-16-17-25-29(18-21)35(24-14-8-3-9-15-24)30-20-27(33-23-12-6-2-7-13-23)26(19-28(30)34-25)32-22-10-4-1-5-11-22;/h1-20H,(H3,31,32,33,34);1H",C30H24N5.Cl,,,,,,SSPMWRJUTFVWHT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.659,229-324-2,5/02/6473,"Disodium 4-[[3,5-bis[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-({3,5-bis[(3-amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc([N+]([O-])=O)c(N)c3)N=Nc5ccc([N+]([O-])=O)c(N)c5,[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc([N+]([O-])=O)c(N)c3)N=Nc5ccc([N+]([O-])=O)c(N)c5,"InChI=1/C28H20N10O13S2.2Na/c29-17-7-13(1-3-22(17)37(42)43)31-34-20-11-21(28(41)26(27(20)40)36-32-14-2-4-23(38(44)45)18(30)8-14)35-33-19-9-15(52(46,47)48)5-12-6-16(53(49,50)51)10-24(39)25(12)19;;/h1-11,39-41H,29-30H2,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2",C28H20N10O13S2.2Na,,,,,,RXOSYYYTUPWHMK-UHFFFAOYSA-L,,,,,,,,,,,
100.026.661,229-326-3,6473-13-8,"Trisodium 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate","trisodium 6-[(2,4-diaminophenyl)diazenyl]-3-[(4-{[4-({7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)phenyl]amino}-3-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S([O-])(=O)=O,"InChI=1/C44H35N13O11S3.3Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3",C44H35N13O11S3.3Na,,,,,,QTFHTNFVUCUDIR-UHFFFAOYSA-K,,,,,,,,,,,
100.026.667,229-333-1,6476-36-4,Triisopropylphosphine,triisopropylphosphine,CC(C)P(C(C)C)C(C)C,CC(C)P(C(C)C)C(C)C,"InChI=1/C9H21P/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3",C9H21P,,,,,,IGNTWNVBGLNYDV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.673,229-339-4,6482-24-2,1-bromo-2-methoxyethane,1-bromo-2-methoxyethane,COCCBr,COCCBr,"InChI=1/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3",C3H7BrO,,,,,,YZUPZGFPHUVJKC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.675,229-342-0,6483-64-3,"1,1'-[(phenylmethylene)bis[(2-methoxy-4,1-phenylene)azo]]bis(2-naphthol)","1,1'-{(phenylmethylene)bis[(2-methoxy-4,1-phenylene)diazene-2,1-diyl]}di(2-naphthol)",COc3cc(ccc3N=Nc1c2ccccc2ccc1O)C(c4ccccc4)c7ccc(N=Nc5c6ccccc6ccc5O)c(OC)c7,COc3cc(ccc3N=Nc1c2ccccc2ccc1O)C(c4ccccc4)c7ccc(N=Nc5c6ccccc6ccc5O)c(OC)c7,"InChI=1/C41H32N4O4/c1-48-37-24-29(16-20-33(37)42-44-40-31-14-8-6-10-26(31)18-22-35(40)46)39(28-12-4-3-5-13-28)30-17-21-34(38(25-30)49-2)43-45-41-32-15-9-7-11-27(32)19-23-36(41)47/h3-25,39,46-47H,1-2H3",C41H32N4O4,,,,,,ICECDSOIPJGLDP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.677,229-344-1,6483-80-3,"4-hydroxynaphthalene-2,6-disulphonic acid","4-hydroxynaphthalene-2,6-disulfonic acid",Oc1cc(cc2ccc(cc12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2ccc(cc12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O7S2/c11-10-5-8(19(15,16)17)3-6-1-2-7(4-9(6)10)18(12,13)14/h1-5,11H,(H,12,13,14)(H,15,16,17)",C10H8O7S2,,,,,,TXGYIIYGGRVNHK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.170,233-201-9,10065-72-2,Methyl L-alaninate,methyl L-alaninate,COC(=O)[C@H](C)N,COC(=O)[C@H](C)N,"InChI=1/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3",C4H9NO2,,,,,,DWKPPFQULDPWHX-VKHMYHEASA-N,,,,,,,,,,,
100.030.180,233-212-9,10076-57-0,"2,2-bis(pentyloxy)propane","1,1'-[propane-2,2-diylbis(oxy)]dipentane",CCCCCOC(C)(C)OCCCCC,CCCCCOC(C)(C)OCCCCC,"InChI=1/C13H28O2/c1-5-7-9-11-14-13(3,4)15-12-10-8-6-2/h5-12H2,1-4H3",C13H28O2,,,,,,NWYYISOYSZWERS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.181,233-213-4,10079-20-6,2-[(3-amino-4-methoxyphenyl)sulphonyl]ethyl hydrogen sulphate,2-[(3-amino-4-methoxyphenyl)sulfonyl]ethyl hydrogen sulfate,COc1ccc(cc1N)S(=O)(=O)CCOS(=O)(=O)O,COc1ccc(cc1N)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C9H13NO7S2/c1-16-9-3-2-7(6-8(9)10)18(11,12)5-4-17-19(13,14)15/h2-3,6H,4-5,10H2,1H3,(H,13,14,15)",C9H13NO7S2,,,,,,WODJSCQBFSWEPY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.182,233-215-5,10081-67-1,4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]aniline,4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]aniline,CC(C)(c1ccccc1)c2ccc(Nc3ccc(cc3)C(C)(C)c4ccccc4)cc2,CC(C)(c1ccccc1)c2ccc(Nc3ccc(cc3)C(C)(C)c4ccccc4)cc2,"InChI=1/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3",C30H31N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13882,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.182,UJAWGGOCYUPCPS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.187,233-220-2,10090-05-8,Trimethylsilyl methanesulphonate,trimethylsilyl methanesulfonate,C[Si](C)(C)OS(=O)(=O)C,C[Si](C)(C)OS(=O)(=O)C,"InChI=1/C4H12O3SSi/c1-8(5,6)7-9(2,3)4/h1-4H3",C4H12O3SSi,,,,,,BCHASIUOFGDRIO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.554,229-209-7,6428-38-2,"2-Naphthalenesulfonic acid, 6-[[2-amino-4-[(2-hydroxyethyl)amino]phenyl]azo]-3-[[4-[[4-[[7-[[2-amino-4-[(2-hydroxyethyl)amino]phenyl]azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, trisodium salt",trisodium 6-({2-amino-4-[(2-hydroxyethyl)amino]phenyl}diazenyl)-3-({4-[(4-{[7-({2-amino-4-[(2-hydroxyethyl)amino]phenyl}diazenyl)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}phenyl)amino]-3-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(NCCO)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(NCCO)cc7N)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(NCCO)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(NCCO)cc7N)S([O-])(=O)=O,"InChI=1/C48H43N13O13S3.3Na/c49-37-23-30(51-15-17-62)9-12-39(37)58-55-32-3-1-26-19-43(76(69,70)71)45(47(64)35(26)21-32)60-54-29-7-5-28(6-8-29)53-41-14-11-34(25-42(41)75(66,67)68)57-61-46-44(77(72,73)74)20-27-2-4-33(22-36(27)48(46)65)56-59-40-13-10-31(24-38(40)50)52-16-18-63;;;/h1-14,19-25,51-53,62-65H,15-18,49-50H2,(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3",C48H43N13O13S3.3Na,,,,,,ZCLZGAIIRSGUNH-UHFFFAOYSA-K,,,,,,,,,,,
100.026.555,229-210-2,6428-58-6,"Tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate","tetrasodium 2-{[4-({4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(N=Nc7ccc(N=Nc5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6ccccc67)c(cc8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(N=Nc7ccc(N=Nc5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6ccccc67)c(cc8)S([O-])(=O)=O,"InChI=1/C42H29N7O13S4.4Na/c50-42-29-13-10-26(43-25-6-2-1-3-7-25)20-24(29)21-40(66(60,61)62)41(42)49-47-36-17-18-37(33-22-27(63(51,52)53)11-14-32(33)36)46-44-34-15-16-35(31-9-5-4-8-30(31)34)45-48-38-23-28(64(54,55)56)12-19-39(38)65(57,58)59;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C42H29N7O13S4.4Na,,,,,,GFHXFXWHOQSKNA-UHFFFAOYSA-J,,,,,,,,,,,
100.026.556,229-211-8,6428-60-0,Tetrasodium 5-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-8-[[6-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonate,tetrasodium 7-anilino-4-hydroxy-3-{[6-sulfonato-4-({6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O,"InChI=1/C42H29N7O13S4.4Na/c50-42-31-12-9-26(43-25-5-2-1-3-6-25)19-24(31)20-40(66(60,61)62)41(42)49-48-37-16-18-39(35-23-30(65(57,58)59)11-14-33(35)37)47-46-36-15-17-38(34-22-29(64(54,55)56)10-13-32(34)36)45-44-27-7-4-8-28(21-27)63(51,52)53;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C42H29N7O13S4.4Na,,,,,,CTIIFDITHFRQBX-UHFFFAOYSA-J,,,,,,,,,,,
100.026.562,229-218-6,6436-90-4,Ethyl N-(phenylmethyl)glycinate,ethyl N-benzylglycinate,CCOC(=O)CNCc1ccccc1,CCOC(=O)CNCc1ccccc1,"InChI=1/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3",C11H15NO2,,,,,,ULOLIZHBYWAICY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.564,229-220-7,6439-67-4,Tributylhexadecylammonium bromide,"N,N,N-tributylhexadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC,[Br-].CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC,"InChI=1/C28H60N.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",C28H60N.Br,,,,,,ANRASKQFUDPONQ-UHFFFAOYSA-M,,,,,,,,,,,
100.026.566,229-222-8,6440-58-0,"1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione","1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(CO)C(=O)N(CO)C1=O,CC1(C)N(CO)C(=O)N(CO)C1=O,"InChI=1/C7H12N2O4/c1-7(2)5(12)8(3-10)6(13)9(7)4-11/h10-11H,3-4H2,1-2H3",C7H12N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5575,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.566,WSDISUOETYTPRL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.567,229-223-3,6441-66-3,"Sodium 2,6-bis[(2,4-diaminophenyl)azo]toluene-4-sulphonate","sodium 3,5-bis[(2,4-diaminophenyl)diazenyl]-4-methylbenzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(N=Nc1ccc(N)cc1N)c(C)c(N=Nc2ccc(N)cc2N)c3,[Na+].[O-]S(=O)(=O)c3cc(N=Nc1ccc(N)cc1N)c(C)c(N=Nc2ccc(N)cc2N)c3,"InChI=1/C19H20N8O3S.Na/c1-10-18(26-24-16-4-2-11(20)6-14(16)22)8-13(31(28,29)30)9-19(10)27-25-17-5-3-12(21)7-15(17)23;/h2-9H,20-23H2,1H3,(H,28,29,30);/q;+1/p-1",C19H20N8O3S.Na,,,,,,ODZGTLPZEBZJSP-UHFFFAOYSA-M,,,,,,,,,,,
100.028.630,231-492-7,7585-20-8,Zirconium acetate,zirconium(2+) diacetate,[Zr+2].CC(=O)[O-].CC(=O)[O-],[Zr+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Zr/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.xZr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13796,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.630,JINJMFAIGCWUDW-UHFFFAOYSA-L,,,,,,,,,,,
100.028.639,231-503-5,7597-97-9,2-tert-butyl-4-isopropylphenol,2-tert-butyl-4-isopropylphenol,CC(C)c1ccc(O)c(c1)C(C)(C)C,CC(C)c1ccc(O)c(c1)C(C)(C)C,"InChI=1/C13H20O/c1-9(2)10-6-7-12(14)11(8-10)13(3,4)5/h6-9,14H,1-5H3",C13H20O,,,,,,KXLQULHLCDGRKG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.641,231-505-6,7598-63-2,"3-(p-nonylphenoxy)propane-1,2-diol","3-(4-nonylphenoxy)propane-1,2-diol",CCCCCCCCCc1ccc(OCC(O)CO)cc1,CCCCCCCCCc1ccc(OCC(O)CO)cc1,"InChI=1/C18H30O3/c1-2-3-4-5-6-7-8-9-16-10-12-18(13-11-16)21-15-17(20)14-19/h10-13,17,19-20H,2-9,14-15H2,1H3",C18H30O3,,,,,,IHMSRKRQXGKFCB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.644,231-508-2,7601-53-8,"2,2',2''-nitrilotrisethanol hydroiodide","2,2',2''-nitrilotriethanol hydroiodide",I.OCCN(CCO)CCO,I.OCCN(CCO)CCO,"InChI=1/C6H15NO3.HI/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H",C6H15NO3.HI,,,,,,AHJXIGQHVVYEGR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.006,233-020-5,10022-31-8,Barium nitrate,barium dinitrate,[Ba+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ba+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ba.2NO3/c;2*2-1(3)4/q+2;2*-1,Ba.2HNO3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15841,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.006,IWOUKMZUPDVPGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.008,233-022-6,10024-47-2,Isobutyl oleate,isobutyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)C,"InChI=1/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h11-12,21H,4-10,13-20H2,1-3H3",C22H42O2,,,,,,GXJLQJFVFMCVHG-QXMHVHEDSA-N,,,,,,,,,,,
100.030.024,233-039-9,10025-74-8,Dysprosium trichloride,dysprosium trichloride,[Cl-].[Cl-].[Cl-].[Dy+3],[Cl-].[Cl-].[Cl-].[Dy+3],InChI=1/3ClH.Dy/h3*1H;/q;;;+3/p-3,Cl3Dy,,,,,,BOXVSFHSLKQLNZ-UHFFFAOYSA-K,,,,,,,,,,,
100.027.074,229-780-2,6729-79-9,"1,4-phenylene diacrylate","1,4-phenylene bisacrylate",C=CC(=O)Oc1ccc(OC(=O)C=C)cc1,C=CC(=O)Oc1ccc(OC(=O)C=C)cc1,"InChI=1/C12H10O4/c1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2/h3-8H,1-2H2",C12H10O4,,,,,,JMMVHMOAIMOMOF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.077,229-783-9,6732-01-0,Cholest-5-en-3ß-yl hydrogen phthalate,2-[(cholest-5-en-3-yloxy)carbonyl]benzoic acid,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5C(=O)O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5C(=O)O,"InChI=1/C35H50O4/c1-22(2)9-8-10-23(3)29-15-16-30-28-14-13-24-21-25(17-19-34(24,4)31(28)18-20-35(29,30)5)39-33(38)27-12-7-6-11-26(27)32(36)37/h6-7,11-13,22-23,25,28-31H,8-10,14-21H2,1-5H3,(H,36,37)",C35H50O4,,,,,,DNRPYEJJPBQNQB-MMFRCHASSA-N,,,,,,,,,,,
100.027.078,229-784-4,6734-33-4,4-methyl-7-(ß-D-xylopyranosyloxy)-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl beta-D-xylopyranoside,CC1=CC(=O)Oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc12,CC1=CC(=O)Oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc12,"InChI=1/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3",C15H16O7,,,,,,JWIYLOHVJDJZOQ-KAOXEZKKSA-N,,,,,,,,,,,
100.027.080,229-787-0,6735-59-7,2-[(hydroxyimino)methyl]-1-methylpyridinium,2-[(hydroxyimino)methyl]-1-methylpyridinium,ON=Cc1cccc[n+]1C,ON=Cc1cccc[n+]1C,"InChI=1/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1",C7H9N2O,,,,,,JBKPUQTUERUYQE-UHFFFAOYSA-O,,,,,,,,,,,
100.027.086,229-793-3,1/04/6738,"2-phenoxy-1,1'-biphenyl",2-phenoxybiphenyl,O(c1ccccc1)c2ccccc2c3ccccc3,O(c1ccccc1)c2ccccc2c3ccccc3,InChI=1/C18H14O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16/h1-14H,C18H14O,,,,,,UHJWZORSTYATLW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.089,229-797-5,6739-31-7,3-methoxy-a-methyl-L-tyrosine,3-methoxy-alpha-methyl-L-tyrosine,COc1cc(C[C@](C)(N)C(=O)O)ccc1O,COc1cc(C[C@](C)(N)C(=O)O)ccc1O,"InChI=1/C11H15NO4/c1-11(12,10(14)15)6-7-3-4-8(13)9(5-7)16-2/h3-5,13H,6,12H2,1-2H3,(H,14,15)",C11H15NO4,,,,,,BQHWFYPBSKGBMV-NSHDSACASA-N,,,,,,,,,,,
100.027.093,229-802-0,6740-85-8,2-chlorophenyl cyclopentyl ketone,(2-chlorophenyl)(cyclopentyl)methanone,Clc1ccccc1C(=O)C2CCCC2,Clc1ccccc1C(=O)C2CCCC2,"InChI=1/C12H13ClO/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2",C12H13ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16601,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.093,QIJMMRNZBJHXRI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.101,229-810-4,4/03/6750,"Nona-2,4-dien-1-al","nona-2,4-dienal",CCCCC=CC=CC=O,CCCCC=CC=CC=O,"InChI=1/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3",C9H14O,,,,,,ZHHYXNZJDGDGPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.108,229-818-8,6756-90-7,"a,a,4-trimethylcyclohexylmethyl propanoate",1-methyl-1-(4-methylcyclohexyl)ethyl propionate,CCC(=O)OC(C)(C)C1CCC(C)CC1,CCC(=O)OC(C)(C)C1CCC(C)CC1,"InChI=1/C13H24O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,YNOVKKTULYUOOO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.655,229-320-0,6471-96-1,"1,3-benzodioxol-5-ylmethyl pivalate","1,3-benzodioxol-5-ylmethyl pivalate",CC(C)(C)C(=O)OCc1ccc2OCOc2c1,CC(C)(C)C(=O)OCc1ccc2OCOc2c1,"InChI=1/C13H16O4/c1-13(2,3)12(14)15-7-9-4-5-10-11(6-9)17-8-16-10/h4-6H,7-8H2,1-3H3",C13H16O4,,,,,,QIKMSBWNVVQENG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.663,229-328-4,6473-33-2,"Trisodium 4-hydroxy-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate","trisodium 4-hydroxy-3-({4'-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H26N4O13S3.3Na/c1-50-28-14-18(7-11-25(28)35-37-27-17-30(53(44,45)46)23-5-3-4-6-24(23)33(27)39)19-8-12-26(29(15-19)51-2)36-38-32-31(54(47,48)49)16-20-13-21(52(41,42)43)9-10-22(20)34(32)40;;;/h3-17,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C34H26N4O13S3.3Na,,,,,,AXHGVKBKZODTCG-UHFFFAOYSA-K,,,,,,,,,,,
100.017.523,219-273-4,2400-59-1,Bishexanoyl peroxide,dipentylperoxyanhydride,CCCCCC(=O)OOC(=O)CCCCC,CCCCCC(=O)OOC(=O)CCCCC,"InChI=1/C12H22O4/c1-3-5-7-9-11(13)15-16-12(14)10-8-6-4-2/h3-10H2,1-2H3",C12H22O4,,,,,,VLAGSAGYAIGJSU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.525,219-276-0,2401-21-0,"1,2-dichloro-3-iodobenzene","1,2-dichloro-3-iodobenzene",Clc1cccc(I)c1Cl,Clc1cccc(I)c1Cl,InChI=1/C6H3Cl2I/c7-4-2-1-3-5(9)6(4)8/h1-3H,C6H3Cl2I,,,,,,VGJKBWPZBVBXGI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.909,222-999-4,8/04/3690,"N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(dimethylamino)propionamide","N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~,N~2~-dimethylalaninamide",CC(N(C)C)C(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2,CC(N(C)C)C(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C16H22N4O2/c1-11-14(17-15(21)12(2)18(3)4)16(22)20(19(11)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H,17,21)",C16H22N4O2,,,,,,UQNCVOXEVRELFR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.914,223-005-1,3691-74-5,"Glucurono-1,4-lactone isonicotinoylhydrazone","N'-(3,5,6-trihydroxytetrahydrofuro[3,2-b]furan-2(3H)-ylidene)isonicotinohydrazide (non-preferred name)",OC1OC2C(O)C(=NNC(=O)c3ccncc3)OC2C1O,OC1OC2C(O)C(=NNC(=O)c3ccncc3)OC2C1O,"InChI=1/C12H13N3O6/c16-6-8-9(7(17)12(19)21-8)20-11(6)15-14-10(18)5-1-3-13-4-2-5/h1-4,6-9,12,16-17,19H,(H,14,18)",C12H13N3O6,,,,,,RIRSFEMAEFVYKI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.923,223-015-6,3694-95-9,Sodium 2-hydroxy-3-sulphonatopropyl stearate,sodium 2-hydroxy-3-(stearoyloxy)propane-1-sulfonate,[Na+].CCCCCCCCCCCCCCCCCC(=O)OCC(O)CS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)OCC(O)CS(=O)(=O)[O-],"InChI=1/C21H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28(24,25)26;/h20,22H,2-19H2,1H3,(H,24,25,26);/q;+1/p-1",C21H42O6S.Na,,,,,,WVDWRWXSDUZGLV-UHFFFAOYSA-M,,,,,,,,,,,
100.020.925,223-017-7,3695-24-7,2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid,hydroxy(3-hydroxy-4-methoxyphenyl)acetic acid,COc1ccc(cc1O)C(O)C(=O)O,COc1ccc(cc1O)C(O)C(=O)O,"InChI=1/C9H10O5/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)",C9H10O5,,,,,,PXMUSCHKJYFZFD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.927,223-019-8,3695-73-6,N-glycylalanine,glycylalanine,CC(NC(=O)CN)C(=O)O,CC(NC(=O)CN)C(=O)O,"InChI=1/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)",C5H10N2O3,,,,,,VPZXBVLAVMBEQI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.928,223-020-3,3695-77-0,Triphenylmethanethiol,triphenylmethanethiol,SC(c1ccccc1)(c2ccccc2)c3ccccc3,SC(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H16S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H",C19H16S,,,,,,JQZIKLPHXXBMCA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.929,223-021-9,3696-22-8,(p-nitrophenyl)thiourea,1-(4-nitrophenyl)thiourea,NC(=S)Nc1ccc(cc1)[N+](=O)[O-],NC(=S)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7N3O2S/c8-7(13)9-5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9,13)",C7H7N3O2S,,,,,,BLYAANPIHFKKMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.933,223-026-6,3697-42-5,Chlorhexidine dihydrochloride,"N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] dihydrochloride",Cl.Cl.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,Cl.Cl.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,"InChI=1/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H",C22H30Cl2N10.2ClH,,,,,,WJLVQTJZDCGNJN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.934,223-027-1,3698-83-7,"1,5-dichloro-2,4-dinitrobenzene","1,5-dichloro-2,4-dinitrobenzene",[O-][N+](=O)c1cc(c(Cl)cc1Cl)[N+](=O)[O-],[O-][N+](=O)c1cc(c(Cl)cc1Cl)[N+](=O)[O-],InChI=1/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,C6H2Cl2N2O4,,,,,,ZPXDNSYFDIHPOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.937,223-030-8,3699-29-4,4-(diethylamino)-2-phenylbutyronitrile,4-(diethylamino)-2-phenylbutanenitrile,CCN(CC)CCC(C#N)c1ccccc1,CCN(CC)CCC(C#N)c1ccccc1,"InChI=1/C14H20N2/c1-3-16(4-2)11-10-14(12-15)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3",C14H20N2,,,,,,VZLDFHGDPJUSLD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.942,223-036-0,3700-60-5,"3,5-bis[[[2-[[2-(dodecylamino)ethyl]amino]ethyl]amino]methyl]-4-hydroxybenzoic acid","3,5-bis{[(2-{[2-(dodecylamino)ethyl]amino}ethyl)amino]methyl}-4-hydroxybenzoic acid",CCCCCCCCCCCCNCCNCCNCc1cc(cc(CNCCNCCNCCCCCCCCCCCC)c1O)C(=O)O,CCCCCCCCCCCCNCCNCCNCc1cc(cc(CNCCNCCNCCCCCCCCCCCC)c1O)C(=O)O,"InChI=1/C41H80N6O3/c1-3-5-7-9-11-13-15-17-19-21-23-42-25-27-44-29-31-46-35-38-33-37(41(49)50)34-39(40(38)48)36-47-32-30-45-28-26-43-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,42-48H,3-32,35-36H2,1-2H3,(H,49,50)",C41H80N6O3,,,,,,KGFIROGXAACOEV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.944,223-038-1,3700-69-4,Chromium(3+) palmitate,chromium(3+) trihexadecanoate,[Cr+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Cr+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C16H32O2.Cr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3",C16H32O2.1/3Cr,,,,,,CWPINIPJCSBFEB-UHFFFAOYSA-K,,,,,,,,,,,
100.030.188,233-221-8,10094-34-5,"a,a-dimethylphenethyl butyrate","1,1-dimethyl-2-phenylethyl butyrate",CCCC(=O)OC(C)(C)Cc1ccccc1,CCCC(=O)OC(C)(C)Cc1ccccc1,"InChI=1/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3",C14H20O2,,,,,,SHSGYHAHMQLYRB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.191,233-224-4,10094-41-4,Hex-3-enyl 2-methylbutyrate,hex-3-en-1-yl 2-methylbutanoate,CCC=CCCOC(=O)C(C)CC,CCC=CCCOC(=O)C(C)CC,"InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3",C11H20O2,,,,,,JKKGTSUICJWEKB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.196,233-230-7,10097-16-2,"Diethyl (methylenedi-4,1-phenylene)dicarbamate","diethyl (methylenedi-4,1-phenylene)biscarbamate",CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCC)cc2)cc1,CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCC)cc2)cc1,"InChI=1/C19H22N2O4/c1-3-24-18(22)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(23)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)",C19H22N2O4,,,,,,AXHTZVWDOXONQF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.206,233-241-7,10099-67-9,Lutetium trinitrate,lutetium trinitrate,[Lu+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Lu+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Lu.3NO3/c;3*2-1(3)4/q+3;3*-1,HNO3.1/3Lu,,,,,,APRNQTOXCXOSHO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.207,233-242-2,10099-70-4,Diisopropyl maleate,diisopropyl but-2-enedioate,CC(C)OC(=O)\\C=C/C(=O)OC(C)C,CC(C)OC(=O)\C=C/C(=O)OC(C)C,"InChI=1/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3",C10H16O4,,,,,,FNMTVMWFISHPEV-WAYWQWQTSA-N,,,,,,,,,,,
100.030.034,233-050-9,10025-99-7,Dipotassium tetrachloroplatinate,dipotassium tetrachloroplatinate(2-),[K+].[K+].Cl[Pt-2](Cl)(Cl)Cl,[K+].[K+].Cl[Pt-2](Cl)(Cl)Cl,InChI=1/4ClH.2K.Pt/h4*1H;;;/q;;;;2*+1;+4/p-4,Cl4Pt.2K,,,,,,RVRDLMCWUILSAH-UHFFFAOYSA-J,,,,,,,,,,,
100.030.038,233-055-6,10026-07-0,Tellurium tetrachloride,tellurium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[TeH2+2].[TeH2+2],[Cl-].[Cl-].[Cl-].[Cl-].[TeH2+2].[TeH2+2],InChI=1/4ClH.2H2Te/h4*1H;2*1H2/q;;;;2*+2/p-4,Cl4Te,,,,,,ZEQVOVHFEYLJAH-UHFFFAOYSA-J,,,,,,,,,,,
100.030.043,233-060-3,10026-13-8,Phosphorus pentachloride,pentachlorophosphorane,ClP(Cl)(Cl)(Cl)Cl,ClP(Cl)(Cl)(Cl)Cl,"InChI=1/Cl5P/c1-6(2,3,4)5",Cl5P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13760,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.043,UHZYTMXLRWXGPK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.053,233-071-3,10028-18-9,Nickel difluoride,nickel(2+) difluoride,[F-].[F-].[Ni+2],[F-].[F-].[Ni+2],InChI=1/2FH.Ni/h2*1H;/q;;+2/p-2,F2Ni,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14415,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.053,DBJLJFTWODWSOF-UHFFFAOYSA-L,,,,,,,,,,,
100.030.056,233-075-5,10028-70-3,Disodium terephthalate,disodium terephthalate,[Na+].[Na+].[O-]C(=O)c1ccc(cc1)C(=O)[O-],[Na+].[Na+].[O-]C(=O)c1ccc(cc1)C(=O)[O-],"InChI=1/C8H6O4.2Na/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H6O4.2Na,,,,,,VIQSRHWJEKERKR-UHFFFAOYSA-L,,,,,,,,,,,
100.030.062,233-081-8,10030-88-3,"2-hydroxyethyltrimethylammonium (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-ß-alaninate","2-hydroxy-N,N,N-trimethylethanaminium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].C[N+](C)(C)CCO,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].C[N+](C)(C)CCO,"InChI=1/C9H17NO5.C5H14NO/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-6(2,3)4-5-7/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);7H,4-5H2,1-3H3/q;+1/p-1",C9H16NO5.C5H14NO,,,,,,HXCGBBALZREMAS-FJXQXJEOSA-M,,,,,,,,,,,
100.030.069,233-089-1,10031-26-2,Iron tribromide,iron(3+) tribromide,Br[Fe](Br)Br,Br[Fe](Br)Br,InChI=1/3BrH.Fe/h3*1H;/q;;;+3/p-3,Br3Fe,,,,,,FEONEKOZSGPOFN-UHFFFAOYSA-K,,,,,,,,,,,
100.030.071,233-091-2,10031-54-6,Europium(2+) sulphate,europium(2+) sulfate,[Eu+2].[O-]S(=O)(=O)[O-],[Eu+2].[O-]S(=O)(=O)[O-],"InChI=1/Eu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Eu.H2O4S,,,,,,ONQORTHCHCYWSQ-UHFFFAOYSA-L,,,,,,,,,,,
100.030.072,233-092-8,10031-71-7,"1,1-dimethyl-3-phenylpropyl isobutyrate","1,1-dimethyl-3-phenylpropyl 2-methylpropanoate",CC(C)C(=O)OC(C)(C)CCc1ccccc1,CC(C)C(=O)OC(C)(C)CCc1ccccc1,"InChI=1/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3",C15H22O2,,,,,,WCEXWNUHYPYHDN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.077,233-098-0,10031-92-2,Ethyl non-2-ynoate,ethyl non-2-ynoate,CCCCCCC#CC(=O)OCC,CCCCCCC#CC(=O)OCC,"InChI=1/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3",C11H18O2,,,,,,BFZNMUGAZYAMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.081,233-103-6,10032-05-0,"1,1-dimethoxyheptane","1,1-dimethoxyheptane",CCCCCCC(OC)OC,CCCCCCC(OC)OC,"InChI=1/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3",C9H20O2,,,,,,BBMCNYFBAIUERL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.122,229-834-5,6771-94-4,Disodium 5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoyl]amino]salicylate,disodium 5-{[4-({6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)benzoyl]amino}-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)NC(=O)c5ccc(N=Nc4c(cc3cc(NC(=O)c2ccc(N)cc2)ccc3c4O)S([O-])(=O)=O)cc5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)NC(=O)c5ccc(N=Nc4c(cc3cc(NC(=O)c2ccc(N)cc2)ccc3c4O)S([O-])(=O)=O)cc5,"InChI=1/C31H23N5O9S.2Na/c32-19-5-1-16(2-6-19)29(39)33-21-9-11-23-18(13-21)14-26(46(43,44)45)27(28(23)38)36-35-20-7-3-17(4-8-20)30(40)34-22-10-12-25(37)24(15-22)31(41)42;;/h1-15,37-38H,32H2,(H,33,39)(H,34,40)(H,41,42)(H,43,44,45);;/q;2*+1/p-2",C31H23N5O9S.2Na,,,,,,FVUOWKYUMVGOJA-UHFFFAOYSA-L,,,,,,,,,,,
100.028.648,231-512-4,7601-90-3,Perchloric acid,perchloric acid,OCl(=O)(=O)=O,OCl(=O)(=O)=O,"InChI=1/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)",ClHO4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8872,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.648,VLTRZXGMWDSKGL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.649,231-514-5,7603-37-4,"4,7-dihydroindan","2,3,4,7-tetrahydro-1H-indene",C1CC2=C(C1)CC=CC2,C1CC2=C(C1)CC=CC2,"InChI=1/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2H,3-7H2",C9H12,,,,,,PJEOOBRBALZZSL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.650,231-515-0,7605-28-9,Phenylsulphonylacetonitrile,(phenylsulfonyl)acetonitrile,O=S(=O)(CC#N)c1ccccc1,O=S(=O)(CC#N)c1ccccc1,"InChI=1/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2",C8H7NO2S,,,,,,ZFCFFNGBCVAUDE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.651,231-516-6,7605-30-3,Ethyl (phenylsulphonyl)acetate,ethyl (phenylsulfonyl)acetate,CCOC(=O)CS(=O)(=O)c1ccccc1,CCOC(=O)CS(=O)(=O)c1ccccc1,"InChI=1/C10H12O4S/c1-2-14-10(11)8-15(12,13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12O4S,,,,,,NJBWORPRIRNTLH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.654,231-519-2,7607-99-0,Sodium O-pentyl dithiocarbonate,sodium O-pentyl dithiocarbonate,[Na+].CCCCCOC(=S)[S-],[Na+].CCCCCOC(=S)[S-],"InChI=1/C6H12OS2.Na/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1",C6H12OS2.Na,,,,,,RFKHZOHSRQNNPW-UHFFFAOYSA-M,,,,,,,,,,,
100.028.655,231-520-8,7611-50-9,Trisodium trihydrogen [nitrilotris(methylene)]trisphosphonate,trisodium trihydrogen [nitrilotris(methylene)]tris(phosphonate),[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.3Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-6",C3H12NO9P3.3Na,,,,,,SOBHUZYZLFQYFK-UHFFFAOYSA-H,,,,,,,,,,,
100.028.656,231-521-3,7612-98-8,"4-[(4-isothiocyanatophenyl)azo]-N,N-dimethylaniline","4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline",CN(C)c2ccc(N=Nc1ccc(\\N=C=S)cc1)cc2,CN(C)c2ccc(N=Nc1ccc(\N=C=S)cc1)cc2,"InChI=1/C15H14N4S/c1-19(2)15-9-7-14(8-10-15)18-17-13-5-3-12(4-6-13)16-11-20/h3-10H,1-2H3",C15H14N4S,,,,,,OSWZKAVBSQAVFI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.658,231-523-4,7616-22-0,"3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol","2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1,"InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3",C28H48O2,,,,,,QUEDXNHFTDJVIY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.659,231-525-5,7616-83-3,Mercury diperchlorate,mercury diperchlorate,[Hg+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Hg+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Hg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Hg,,,,,,KBYOBAICCHNMNJ-UHFFFAOYSA-L,,,,,,,,,,,
100.028.660,231-526-0,7616-94-6,Perchloryl fluoride,fluorochlorane trioxide,FCl(=O)(=O)=O,FCl(=O)(=O)=O,"InChI=1/ClFO3/c2-1(3,4)5",ClFO3,,,,,,XHFXMNZYIKFCPN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.661,231-527-6,7617-31-4,"Stearic acid, copper salt",copper(1+) stearate,[Cu].OC(=O)CCCCCCCCCCCCCCCCC,[Cu].OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C18H36O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1",C18H36O2.xCu,,,,,,YVENFKCVDQUMMA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.664,231-530-2,7617-78-9,3-(decyloxy)propylamine,3-(decyloxy)propan-1-amine,CCCCCCCCCCOCCCN,CCCCCCCCCCOCCCN,"InChI=1/C13H29NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h2-14H2,1H3",C13H29NO,,,,,,TWXCJZHSMRBNGO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.671,231-538-6,7621-86-5,2-(4-aminophenyl)-1H-benzimidazol-2-amine,2-(4-aminophenyl)-1H-benzimidazol-5-amine,Nc1ccc(cc1)c2nc3cc(N)ccc3[nH]2,Nc1ccc(cc1)c2nc3cc(N)ccc3[nH]2,"InChI=1/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)",C13H12N4,,,,,,XAFOTXWPFVZQAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.675,231-542-8,7625-53-8,Methyl DL-alaninate,methyl L-alaninate,COC(=O)[C@H](C)N,COC(=O)[C@H](C)N,"InChI=1/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3",C4H9NO2,,,,,,DWKPPFQULDPWHX-VKHMYHEASA-N,,,,,,,,,,,
100.026.570,229-227-5,6441-82-3,"2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-(2-{4-[(2-chloroethyl)(ethyl)amino]-2-methylphenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CCN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1,[Cl-].CCN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1,"InChI=1/C24H30ClN2.ClH/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;/h7-14,17H,6,15-16H2,1-5H3;1H/q+1;/p-1",C24H30ClN2.Cl,,,,,,JQZWHMOVSQRYRN-UHFFFAOYSA-M,,,,,,,,,,,
100.026.571,229-228-0,6441-84-5,"2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium chloride","2-(2-{4-[(4-ethoxybenzyl)amino]phenyl}vinyl)-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CCOc1ccc(CNc2ccc(\\C=C\\C3=[N+](C)c4ccc(cc4C3(C)C)C(=O)OC)cc2)cc1,[Cl-].CCOc1ccc(CNc2ccc(\C=C\C3=[N+](C)c4ccc(cc4C3(C)C)C(=O)OC)cc2)cc1,"InChI=1/C30H32N2O3.ClH/c1-6-35-25-15-9-22(10-16-25)20-31-24-13-7-21(8-14-24)11-18-28-30(2,3)26-19-23(29(33)34-5)12-17-27(26)32(28)4;/h7-19H,6,20H2,1-5H3;1H",C30H33N2O3.Cl,,,,,,GCHIRZGRNVQRML-UHFFFAOYSA-N,,,,,,,,,,,
100.026.664,229-330-5,6474-85-7,Fenbutrazate hydrochloride,2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate hydrochloride,Cl.CCC(C(=O)OCCN1CCOC(C1C)c2ccccc2)c3ccccc3,Cl.CCC(C(=O)OCCN1CCOC(C1C)c2ccccc2)c3ccccc3,"InChI=1/C23H29NO3.ClH/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20;/h4-13,18,21-22H,3,14-17H2,1-2H3;1H",C23H29NO3.ClH,,,,,,QYNMGTGFHCYFIE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.666,229-332-6,4/10/6476,Trisodium 8-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-5-[[4-(phenylazo)-6-sulphonatonaphthyl]azo]naphthalene-2-sulphonate,trisodium 6-amino-4-hydroxy-3-[(4-{[4-(phenyldiazenyl)-6-sulfonato-1-naphthyl]diazenyl}-7-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccccc2)ccc7N=Nc6ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccccc2)ccc7N=Nc6ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O,"InChI=1/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-33-15-13-31(26-11-9-24(19-29(26)33)55(48,49)50)41-40-30-12-14-32(39-38-22-4-2-1-3-5-22)28-18-23(54(45,46)47)8-10-25(28)30;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C36H25N7O10S3.3Na,,,,,,WOTQXAKTCRIUBI-UHFFFAOYSA-K,,,,,,,,,,,
100.026.668,229-334-7,6476-37-5,Dicyclohexylphenylphosphine,dicyclohexyl(phenyl)phosphine,C1CCC(CC1)P(C2CCCCC2)c3ccccc3,C1CCC(CC1)P(C2CCCCC2)c3ccccc3,"InChI=1/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2",C18H27P,,,,,,VPLLTGLLUHLIHA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.669,229-335-2,6477-64-1,Lead dipicrate,-,[Pb+2].O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1[O-])[N+]([O-])=O.[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1[O-])[N+]([O-])=O,[Pb+2].O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1[O-])[N+]([O-])=O.[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1[O-])[N+]([O-])=O,"InChI=1/2C6H3N3O7.Pb.2H/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;;/h2*1-2,10H;;;/q;;+4;;/p-2/r2C6H3N3O7.H2Pb/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;1H2/q;;+4/p-2",C6H3N3O7.1/2Pb,,,,,,MHVVRZIRWITSIP-UHFFFAOYSA-L,,,,,,,,,,,
100.026.672,229-338-9,6481-55-6,"Sodium 5,7-dihydroxy-4-oxo-3-phenyl-4H-1-benzopyran-2-carboxylate","sodium 5,7-dihydroxy-4-oxo-3-phenyl-4H-chromene-2-carboxylate",[Na+].Oc1cc(O)c2C(=O)C(=C(Oc2c1)C(=O)[O-])c3ccccc3,[Na+].Oc1cc(O)c2C(=O)C(=C(Oc2c1)C(=O)[O-])c3ccccc3,"InChI=1/C16H10O6.Na/c17-9-6-10(18)13-11(7-9)22-15(16(20)21)12(14(13)19)8-4-2-1-3-5-8;/h1-7,17-18H,(H,20,21);/q;+1/p-1",C16H10O6.Na,,,,,,BWDVKOYTZGSASG-UHFFFAOYSA-M,,,,,,,,,,,
100.026.680,229-347-8,6484-52-2,Ammonium nitrate,ammonium nitrate,[NH4+].[O-][N+](=O)[O-],[NH4+].[O-][N+](=O)[O-],InChI=1/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1,H3N.HNO3,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15999,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.680,DVARTQFDIMZBAA-UHFFFAOYSA-O,,,,,,,,,,,
100.026.683,229-350-4,6485-39-8,"Bis(D-gluconato-O1,O2)manganese","manganese(2+) bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",O[C@H]([C@@H](O)C(=O)O[Mn]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)CO,O[C@H]([C@@H](O)C(=O)O[Mn]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)CO,"InChI=1/2C6H12O7.Mn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C12H22MnO14,,,,,,OXHQNTSSPHKCPB-IYEMJOQQSA-L,,,,,,,,,,,
100.026.684,229-352-5,6485-40-1,"L-p-mentha-1(6),8-dien-2-one",5-isopropenyl-2-methylcyclohex-2-en-1-one,CC(=C)C1CC=C(C)C(=O)C1,CC(=C)C1CC=C(C)C(=O)C1,"InChI=1/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3",C10H14O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12336,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.684,ULDHMXUKGWMISQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.165,233-195-8,10061-01-5,"(Z)-1,3-dichloropropene","1,3-dichloroprop-1-ene",ClC\\C=C/Cl,ClC\C=C/Cl,"InChI=1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2",C3H4Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8880,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.165,UOORRWUZONOOLO-UPHRSURJSA-N,,,,,,,,,,,
100.030.168,233-198-4,10061-32-2,Levophenacylmorphan,2-(3-hydroxymorphinan-17-yl)-1-phenylethanone,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC(=O)c5ccccc5)c2c1,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC(=O)c5ccccc5)c2c1,"InChI=1/C24H27NO2/c26-19-10-9-18-14-22-20-8-4-5-11-24(20,21(18)15-19)12-13-25(22)16-23(27)17-6-2-1-3-7-17/h1-3,6-7,9-10,15,20,22,26H,4-5,8,11-14,16H2",C24H27NO2,,,,,,RCYBMSQOSGJZLO-BGWNEDDSSA-N,,,,,,,,,,,
100.030.172,233-204-5,10072-97-6,"9ß,11ß-epoxy-17,21-dihydroxypregn-4-ene-3,20-dione","17,21-dihydroxy-9,11-epoxypregn-4-ene-3,20-dione",C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)CC[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)CC[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H28O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h9,14-15,17,22,25H,3-8,10-11H2,1-2H3",C21H28O5,,,,,,FJCQSIDXADHVFH-FEUSSREZSA-N,,,,,,,,,,,
100.030.177,233-209-2,10075-62-4,"1,4-dimethoxynaphthalene","1,4-dimethoxynaphthalene",COc1ccc(OC)c2ccccc12,COc1ccc(OC)c2ccccc12,"InChI=1/C12H12O2/c1-13-11-7-8-12(14-2)10-6-4-3-5-9(10)11/h3-8H,1-2H3",C12H12O2,,,,,,FWWRTYBQQDXLDD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.186,233-219-7,10089-93-7,"3-hydroxy-N,N-bis(2-hydroxyethyl)-2-naphthamide","3-hydroxy-N,N-bis(2-hydroxyethyl)-2-naphthamide",OCCN(CCO)C(=O)c1cc2ccccc2cc1O,OCCN(CCO)C(=O)c1cc2ccccc2cc1O,"InChI=1/C15H17NO4/c17-7-5-16(6-8-18)15(20)13-9-11-3-1-2-4-12(11)10-14(13)19/h1-4,9-10,17-19H,5-8H2",C15H17NO4,,,,,,AWOGQGYSUKXISO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.190,233-223-9,10094-40-3,Hex-2-enyl acetate,hex-2-en-1-yl acetate,CCCC=CCOC(C)=O,CCCC=CCOC(C)=O,"InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3",C8H14O2,,,,,,HRHOWZHRCRZVCU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.946,223-040-2,3701-40-4,"Disodium 4-hydroxy-3-[[4'-[(2-hydroxynaphthyl)azo]-2,2'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate","disodium 4-hydroxy-3-({4'-[(2-hydroxy-1-naphthyl)diazenyl]-2,2'-dimethylbiphenyl-4-yl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(ccc1c(O)c6N=Nc2ccc(c(C)c2)c3ccc(cc3C)N=Nc4c5ccccc5ccc4O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(ccc1c(O)c6N=Nc2ccc(c(C)c2)c3ccc(cc3C)N=Nc4c5ccccc5ccc4O)S([O-])(=O)=O,"InChI=1/C34H26N4O8S2.2Na/c1-19-15-23(35-37-32-28-6-4-3-5-21(28)7-14-30(32)39)8-11-26(19)27-12-9-24(16-20(27)2)36-38-33-31(48(44,45)46)18-22-17-25(47(41,42)43)10-13-29(22)34(33)40;;/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H26N4O8S2.2Na,,,,,,CCOPUGSPAPWFFC-UHFFFAOYSA-L,,,,,,,,,,,
100.020.949,223-043-9,3703-79-5,Bamethan,4-[2-(butylamino)-1-hydroxyethyl]phenol,CCCCNCC(O)c1ccc(O)cc1,CCCCNCC(O)c1ccc(O)cc1,"InChI=1/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3",C12H19NO2,,,,,,RDUHXGIIUDVSHR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.952,223-047-0,3705-26-8,"(3S-trans)-3-benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione","3-benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione",O=C1N[C@@H](Cc2ccccc2)C(=O)N3CCC[C@@H]13,O=C1N[C@@H](Cc2ccccc2)C(=O)N3CCC[C@@H]13,"InChI=1/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)",C14H16N2O2,,,,,,QZBUWPVZSXDWSB-RYUDHWBXSA-N,,,,,,,,,,,
100.020.953,223-048-6,3705-62-2,"1,1'-oxybis[m-(m-phenoxyphenoxy)benzene]","1,1'-[oxybis(3,1-phenyleneoxy)]bis(3-phenoxybenzene)",O(c1ccccc1)c2cccc(Oc3cccc(Oc4cccc(Oc5cccc(Oc6ccccc6)c5)c4)c3)c2,O(c1ccccc1)c2cccc(Oc3cccc(Oc4cccc(Oc5cccc(Oc6ccccc6)c5)c4)c3)c2,InChI=1/C36H26O5/c1-3-11-27(12-4-1)37-29-15-7-17-31(23-29)39-33-19-9-21-35(25-33)41-36-22-10-20-34(26-36)40-32-18-8-16-30(24-32)38-28-13-5-2-6-14-28/h1-26H,C36H26O5,,,,,,RRVQXJQJDRLGGO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.954,223-049-1,3705-86-0,"1,3-dihydro-5,6-dinitro-2H-benzimidazol-2-one","5,6-dinitro-1,3-dihydro-2H-benzimidazol-2-one",[O-][N+](=O)c1cc2NC(=O)Nc2cc1[N+](=O)[O-],[O-][N+](=O)c1cc2NC(=O)Nc2cc1[N+](=O)[O-],"InChI=1/C7H4N4O5/c12-7-8-3-1-5(10(13)14)6(11(15)16)2-4(3)9-7/h1-2H,(H2,8,9,12)",C7H4N4O5,,,,,,TZDUUWCJIOBQOD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.935,216-427-2,1581-13-1,2-amino-2'-fluorobenzophenone,(2-aminophenyl)(2-fluorophenyl)methanone,Nc1ccccc1C(=O)c2ccccc2F,Nc1ccccc1C(=O)c2ccccc2F,"InChI=1/C13H10FNO/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H,15H2",C13H10FNO,,,,,,NRAJMXHXQHCBHO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.936,216-428-8,1582-09-8,Trifluralin,"2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline",CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3",C13H16F3N3O4,,,,,,ZSDSQXJSNMTJDA-UHFFFAOYSA-N,Positive,EA012302|EA012308,[M+H]+,HCD15|HCD15,336.117|336.117,Eawag,,,,,
100.014.939,216-431-4,1583-59-1,"2,2-difluoro-1,3-benzodioxole","2,2-difluoro-1,3-benzodioxole",FC1(F)Oc2ccccc2O1,FC1(F)Oc2ccccc2O1,InChI=1/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H,C7H4F2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6212,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.939,DGCOGZQDAXUUBY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.940,216-433-5,1583-67-1,3-fluorophthalic acid,3-fluorophthalic acid,OC(=O)c1cccc(F)c1C(=O)O,OC(=O)c1cccc(F)c1C(=O)O,"InChI=1/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5FO4,,,,,,BBCQSMSCEJBIRD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.945,216-438-2,1585-06-4,p-ethylphenetole,1-ethoxy-4-ethylbenzene,CCOc1ccc(CC)cc1,CCOc1ccc(CC)cc1,"InChI=1/C10H14O/c1-3-9-5-7-10(8-6-9)11-4-2/h5-8H,3-4H2,1-2H3",C10H14O,,,,,,BQBROHBMIBOPFU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.953,216-447-1,1586-92-1,Ethoxydiethylaluminium,(ethanolato)(diethyl)aluminum,CCO[Al](CC)CC,CCO[Al](CC)CC,"InChI=1/C2H5O.2C2H5.Al/c1-2-3;2*1-2;/h2H2,1H3;2*1H2,2H3;/q-1;;;+1/rC6H15AlO/c1-4-7(5-2)8-6-3/h4-6H2,1-3H3",C6H15AlO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17546,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.953,GCPCLEKQVMKXJM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.959,216-453-4,1588-83-6,4-amino-3-nitrobenzoic acid,4-amino-3-nitrobenzoic acid,Nc1ccc(cc1[N+](=O)[O-])C(=O)O,Nc1ccc(cc1[N+](=O)[O-])C(=O)O,"InChI=1/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)",C7H6N2O4,,,,,,ZZNAYFWAXZJITH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.960,216-455-5,1589-47-5,2-methoxypropanol,2-methoxypropan-1-ol,COC(C)CO,COC(C)CO,"InChI=1/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3",C4H10O2,,,,,,YTTFFPATQICAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.965,216-460-2,1590-02-9,"2-hydroxy-2-methylpropane-1,2,3-tricarboxylic acid","2-methylpropane-1,2,3-tricarboxylic acid",CC(CC(=O)O)(CC(=O)O)C(=O)O,CC(CC(=O)O)(CC(=O)O)C(=O)O,"InChI=1/C7H10O6/c1-7(6(12)13,2-4(8)9)3-5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)",C7H10O6,,,,,,GPICKHDXBPTBLD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.446,243-407-0,19890-02-9,"[1S-(1a,2a,5a)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=CC(O)C2CC1C2(C)C,CC1=CC(O)C2CC1C2(C)C,"InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3",C10H16O,,,,,,WONIGEXYPVIKFS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.448,243-409-1,19894-97-4,"(1R)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol","(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol",CC1(C)C2CC=C(CO)[C@@H]1C2,CC1(C)C2CC=C(CO)[C@@H]1C2,"InChI=1/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3",C10H16O,,,,,,RXBQNMWIQKOSCS-GKAPJAKFSA-N,,,,,,,,,,,
100.022.752,225-027-7,4618-18-2,Lactulose,4-O-beta-D-galactopyranosyl-beta-D-fructofuranose,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2",C12H22O11,,,,,,JCQLYHFGKNRPGE-FCVZTGTOSA-N,,,,,,,,,,,
100.022.755,225-030-3,4618-99-9,"(R*,R*)-(±)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide",N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide,CC(=O)NC(CO)C(O)c1ccc(cc1)N(=O)=O,CC(=O)NC(CO)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)",C11H14N2O5,,,,,,PIVQDUYOEIAFDM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.759,225-035-0,9/04/4621,4-isopropylcyclohexanol,4-isopropylcyclohexanol,CC(C)C1CCC(O)CC1,CC(C)C1CCC(O)CC1,"InChI=1/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3",C9H18O,,,,,,DKKRDMLKVSKFMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.764,225-040-8,4627-26-3,"4,4'-[ethylenebis[iminosulphonyl(6-methoxy-m-phenylene)azo]]bis[5'-chloro-3-hydroxy-2',4'-dimethoxynaphth-2-anilide]","4,4'-{ethane-1,2-diylbis[sulfamoyl(6-methoxy-3,1-phenylene)diazene-2,1-diyl]}bis[N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide]",COc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4cc(Cl)c(OC)cc4OC)S(=O)(=O)NCCNS(=O)(=O)c5ccc(OC)c(c5)N=Nc6c(O)c(cc7ccccc67)C(=O)Nc8cc(Cl)c(OC)cc8OC,COc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4cc(Cl)c(OC)cc4OC)S(=O)(=O)NCCNS(=O)(=O)c5ccc(OC)c(c5)N=Nc6c(O)c(cc7ccccc67)C(=O)Nc8cc(Cl)c(OC)cc8OC,"InChI=1/C54H48Cl2N8O14S2/c1-73-43-17-15-31(23-41(43)61-63-49-33-13-9-7-11-29(33)21-35(51(49)65)53(67)59-39-25-37(55)45(75-3)27-47(39)77-5)79(69,70)57-19-20-58-80(71,72)32-16-18-44(74-2)42(24-32)62-64-50-34-14-10-8-12-30(34)22-36(52(50)66)54(68)60-40-26-38(56)46(76-4)28-48(40)78-6/h7-18,21-28,57-58,65-66H,19-20H2,1-6H3,(H,59,67)(H,60,68)",C54H48Cl2N8O14S2,,,,,,YOLKTTLSAVGHGI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.769,225-046-0,4629-80-5,"1,3-dimethyl-4-piperidone","1,3-dimethylpiperidin-4-one",CC1CN(C)CCC1=O,CC1CN(C)CCC1=O,"InChI=1/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3",C7H13NO,,,,,,BGDGMIWDPMJYPP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.771,225-048-1,4630-20-0,3-methyl-9H-carbazole,3-methyl-9H-carbazole,Cc1ccc2[nH]c3ccccc3c2c1,Cc1ccc2[nH]c3ccccc3c2c1,"InChI=1/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3",C13H11N,,,,,,PHKYYUQQYARDIU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.776,225-053-9,4631-97-4,4-dodecylcyclohexan-1-ol,4-dodecylcyclohexanol,CCCCCCCCCCCCC1CCC(O)CC1,CCCCCCCCCCCCC1CCC(O)CC1,"InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h17-19H,2-16H2,1H3",C18H36O,,,,,,QAFWWSONPIVCJW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.687,229-355-1,6486-23-3,2-[(4-chloro-2-nitrophenyl)azo]-N-(2-chlorophenyl)-3-oxobutyramide,2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide,Clc2ccccc2NC(=O)C(N=Nc1ccc(Cl)cc1[N+]([O-])=O)C(C)=O,Clc2ccccc2NC(=O)C(N=Nc1ccc(Cl)cc1[N+]([O-])=O)C(C)=O,"InChI=1/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-3-2-4-11(12)18)21-20-13-7-6-10(17)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)",C16H12Cl2N4O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13178,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.687,QTSNFLIDNYOATQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.691,229-359-3,6486-67-5,"3-anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione","3-anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione",ClC1=C(Nc2ccccc2)C(=O)C3=C(Nc4ccccc4S3)C1=O,ClC1=C(Nc2ccccc2)C(=O)C3=C(Nc4ccccc4S3)C1=O,"InChI=1/C18H11ClN2O2S/c19-13-14(20-10-6-2-1-3-7-10)17(23)18-15(16(13)22)21-11-8-4-5-9-12(11)24-18/h1-9,20-21H",C18H11ClN2O2S,,,,,,DWKLDMUHZDDXTN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.692,229-360-9,6486-92-6,"9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulphophenoxy)anthracene-2-sulphonic acid","1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-9,10-dihydroanthracene-2-sulfonic acid",Oc1c(Oc2ccc(cc2)S(=O)(=O)O)c(c(O)c3C(=O)c4ccccc4C(=O)c13)S(=O)(=O)O,Oc1c(Oc2ccc(cc2)S(=O)(=O)O)c(c(O)c3C(=O)c4ccccc4C(=O)c13)S(=O)(=O)O,"InChI=1/C20H12O11S2/c21-15-11-3-1-2-4-12(11)16(22)14-13(15)17(23)19(20(18(14)24)33(28,29)30)31-9-5-7-10(8-6-9)32(25,26)27/h1-8,23-24H,(H,25,26,27)(H,28,29,30)",C20H12O11S2,,,,,,YCNHRWJJRCWZQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.706,229-376-6,6493-77-2,Methyl cyclohex-3-enecarboxylate,methyl cyclohex-3-ene-1-carboxylate,COC(=O)C1CCC=CC1,COC(=O)C1CCC=CC1,"InChI=1/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3",C8H12O2,,,,,,IPUNVLFESXFVFH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.709,229-379-2,6498-81-3,2-(aziridin-1-yl)ethyl methacrylate,2-aziridin-1-ylethyl methacrylate,CC(=C)C(=O)OCCN1CC1,CC(=C)C(=O)OCCN1CC1,"InChI=1/C8H13NO2/c1-7(2)8(10)11-6-5-9-3-4-9/h1,3-6H2,2H3",C8H13NO2,,,,,,XEZCCHVCBAZAQD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.722,229-393-9,6505-96-0,"Disodium 4-hydroxy-3-[(2-methoxyphenyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate","disodium 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonate",[Na+].[Na+].COc4ccccc4N=Nc3c(cc2cc(cc(NS(=O)(=O)c1ccc(C)cc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].COc4ccccc4N=Nc3c(cc2cc(cc(NS(=O)(=O)c1ccc(C)cc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C24H21N3O10S3.2Na/c1-14-7-9-16(10-8-14)38(29,30)27-19-13-17(39(31,32)33)11-15-12-21(40(34,35)36)23(24(28)22(15)19)26-25-18-5-3-4-6-20(18)37-2;;/h3-13,27-28H,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C24H21N3O10S3.2Na,,,,,,CHVCXJYKVWHEBR-UHFFFAOYSA-L,,,,,,,,,,,
100.026.572,229-229-6,6441-88-9,"N-[6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene]-N,N-dimethylammonium chloride",N-{6-hydroxy-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-ylidene}-N-methylmethanaminium chloride,[Cl-].COC(=O)c1ccccc1C2=C3C=CC(=[N+](C)C)C=C3Oc4cc(O)ccc24,[Cl-].COC(=O)c1ccccc1C2=C3C=CC(=[N+](C)C)C=C3Oc4cc(O)ccc24,"InChI=1/C23H19NO4.ClH/c1-24(2)14-8-10-18-20(12-14)28-21-13-15(25)9-11-19(21)22(18)16-6-4-5-7-17(16)23(26)27-3;/h4-13H,1-3H3;1H",C23H20NO4.Cl,,,,,,VNIQYTQIXRDCTR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.576,229-233-8,6441-96-9,Sodium 3-[(8-acetamido-2-hydroxy-1-naphthyl)azo]-5-chloro-2-hydroxybenzenesulphonate,sodium 3-[(8-acetamido-2-hydroxy-1-naphthyl)diazenyl]-5-chloro-2-hydroxybenzenesulfonate,[Na+].Clc3cc(c(O)c(N=Nc1c2c(NC(C)=O)cccc2ccc1O)c3)S([O-])(=O)=O,[Na+].Clc3cc(c(O)c(N=Nc1c2c(NC(C)=O)cccc2ccc1O)c3)S([O-])(=O)=O,"InChI=1/C18H14ClN3O6S.Na/c1-9(23)20-12-4-2-3-10-5-6-14(24)17(16(10)12)22-21-13-7-11(19)8-15(18(13)25)29(26,27)28;/h2-8,24-25H,1H3,(H,20,23)(H,26,27,28);/q;+1/p-1",C18H14ClN3O6S.Na,,,,,,VMGPESHNHVBCDP-UHFFFAOYSA-M,,,,,,,,,,,
100.026.581,229-239-0,6443-69-2,"3,4,5-trimethoxytoluene","1,2,3-trimethoxy-5-methylbenzene",COc1cc(C)cc(OC)c1OC,COc1cc(C)cc(OC)c1OC,"InChI=1/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3",C10H14O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7738,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.581,KCIZTNZGSBSSRM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.585,229-243-2,6448-82-4,2-amino-5-ethoxybenzenesulphonic acid,2-amino-5-ethoxybenzenesulfonic acid,CCOc1ccc(N)c(c1)S(=O)(=O)O,CCOc1ccc(N)c(c1)S(=O)(=O)O,"InChI=1/C8H11NO4S/c1-2-13-6-3-4-7(9)8(5-6)14(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)",C8H11NO4S,,,,,,KTFUNVBAGAPLLC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.586,229-244-8,6448-90-4,"1,5-dimethoxyanthraquinone","1,5-dimethoxy-9,10-anthraquinone",COc1cccc2C(=O)c3c(OC)cccc3C(=O)c12,COc1cccc2C(=O)c3c(OC)cccc3C(=O)c12,"InChI=1/C16H12O4/c1-19-11-7-3-5-9-13(11)15(17)10-6-4-8-12(20-2)14(10)16(9)18/h3-8H,1-2H3",C16H12O4,,,,,,PEUAYWBFWSCPHA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.588,229-246-9,6448-96-0,4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide,3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-N-(3-nitrophenyl)-2-naphthamide,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1cccc(c1)[N+]([O-])=O)c2O)C(=O)Nc5ccccc5,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1cccc(c1)[N+]([O-])=O)c2O)C(=O)Nc5ccccc5,"InChI=1/C31H23N5O6/c1-42-27-15-14-20(30(38)32-21-9-3-2-4-10-21)17-26(27)34-35-28-24-13-6-5-8-19(24)16-25(29(28)37)31(39)33-22-11-7-12-23(18-22)36(40)41/h2-18,37H,1H3,(H,32,38)(H,33,39)",C31H23N5O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17266,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.588,GLZGTQYOWXFUNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.592,229-251-6,8/09/6451,"10-(9-oxo-9H-naphth[3,2,1-kl]acridin-2-yl)naphth[2,3-c]acridine-5,8,14(13H)-trione","10-(9-oxo-9H-naphtho[3,2,1-kl]acridin-2-yl)naphtho[2,3-c]acridine-5,8,14(13H)-trione",O=C1c2ccccc2C(=O)c3c4Nc5ccc(cc5C(=O)c4ccc13)c6ccc7nc8cccc9C(=O)c%10ccccc%10c(c7c6)c89,O=C1c2ccccc2C(=O)c3c4Nc5ccc(cc5C(=O)c4ccc13)c6ccc7nc8cccc9C(=O)c%10ccccc%10c(c7c6)c89,"InChI=1/C41H20N2O4/c44-38-23-7-2-1-6-22(23)34-29-18-20(12-16-31(29)42-33-11-5-10-26(38)35(33)34)21-13-17-32-30(19-21)40(46)28-15-14-27-36(37(28)43-32)41(47)25-9-4-3-8-24(25)39(27)45/h1-19H,(H,43,46)",C41H20N2O4,,,,,,USAKOFCBHMNYNR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.593,229-252-1,3/12/6451,"[2,2'-bianthra[2,1-d]thiazole]-6,6',11,11'-tetraone","2,2'-bianthra[2,1-d][1,3]thiazole-6,6',11,11'-tetrone",O=C1c2ccccc2C(=O)c3c1ccc4nc(sc34)c5nc6ccc7C(=O)c8ccccc8C(=O)c7c6s5,O=C1c2ccccc2C(=O)c3c1ccc4nc(sc34)c5nc6ccc7C(=O)c8ccccc8C(=O)c7c6s5,InChI=1/C30H12N2O4S2/c33-23-13-5-1-3-7-15(13)25(35)21-17(23)9-11-19-27(21)37-29(31-19)30-32-20-12-10-18-22(28(20)38-30)26(36)16-8-4-2-6-14(16)24(18)34/h1-12H,C30H12N2O4S2,,,,,,VYPILCHHNHVAAE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.599,229-258-4,6452-72-8,[[o-(allyloxy)phenoxy]methyl]oxirane,2-{[2-(allyloxy)phenoxy]methyl}oxirane,C=CCOc1ccccc1OCC2CO2,C=CCOc1ccccc1OCC2CO2,"InChI=1/C12H14O3/c1-2-7-13-11-5-3-4-6-12(11)15-9-10-8-14-10/h2-6,10H,1,7-9H2",C12H14O3,,,,,,FZONULHLKBOHHY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.602,229-262-6,6454-35-9,"(E)-5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadec-8-ene","5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadec-8-ene",CCCC[Sn](CCCC)(CCCC)OC(=O)\\C=C\\C(=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OC(=O)\C=C\C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C4H4O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC28H56O4Sn2/c1-7-13-21-33(22-14-8-2,23-15-9-3)31-27(29)19-20-28(30)32-34(24-16-10-4,25-17-11-5)26-18-12-6/h19-20H,7-18,21-26H2,1-6H3",C28H56O4Sn2,,,,,,YABTYYUIWFCMDW-SRTAMGJPSA-L,,,,,,,,,,,
100.026.603,229-263-1,6456-44-6,3-carbamoyl-1-methylpyridinium iodide,3-carbamoyl-1-methylpyridinium iodide,[I-].C[n+]1cccc(c1)C(=O)N,[I-].C[n+]1cccc(c1)C(=O)N,"InChI=1/C7H8N2O.HI/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H",C7H9N2O.I,,,,,,IWEIZMCTGMHCRE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.195,233-229-1,10096-64-7,Ethyl 4-ethyl-4-octadecylmorpholinium sulphate,4-ethyl-4-octadecylmorpholin-4-ium ethyl sulfate,CCCCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1.CCOS(=O)(=O)[O-],"InChI=1/C24H50NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2)21-23-26-24-22-25;1-2-6-7(3,4)5/h3-24H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C24H50NO.C2H5O4S,,,,,,BYFUBPWVZUQUSN-UHFFFAOYSA-M,,,,,,,,,,,
100.030.205,233-240-1,10099-66-8,Lutetium trichloride,lutetium trichloride,[Cl-].[Cl-].[Cl-].[Lu+3],[Cl-].[Cl-].[Cl-].[Lu+3],InChI=1/3ClH.Lu/h3*1H;/q;;;+3/p-3,Cl3Lu,,,,,,AEDROEGYZIARPU-UHFFFAOYSA-K,,,,,,,,,,,
100.030.036,233-053-5,10026-03-6,Selenium tetrachloride,selenium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[SeH4+2].[SeH4+2],[Cl-].[Cl-].[Cl-].[Cl-].[SeH4+2].[SeH4+2],InChI=1/4ClH.2H4Se/h4*1H;2*1H4/q;;;;2*+2/p-4,Cl4Se,,,,,,VONGBIQJAVAREZ-UHFFFAOYSA-J,,,,,,,,,,,
100.030.041,233-058-2,10026-11-6,Zirconium tetrachloride,zirconium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2],[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2],InChI=1/4ClH.2Zr/h4*1H;;/q;;;;2*+2/p-4,Cl4Zr,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12108,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.041,HMYJLXSWDMXZGT-UHFFFAOYSA-J,,,,,,,,,,,
100.030.044,233-061-9,10026-17-2,Cobalt difluoride,cobalt(2+) difluoride,[F-].[F-].[Co+2],[F-].[F-].[Co+2],InChI=1/Co.2FH/h;2*1H/q+2;;/p-2,CoF2,,,,,,YCYBZKSMUPTWEE-UHFFFAOYSA-L,,,,,,,,,,,
100.030.049,233-067-1,10027-28-8,"Sodium 1,4-dioctadecyl sulphonatosuccinate","sodium 1,4-bis(octadecyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C40H78O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46-39(41)37-38(48(43,44)45)40(42)47-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h38H,3-37H2,1-2H3,(H,43,44,45);/q;+1/p-1",C40H78O7S.Na,,,,,,MNUUUYJEIIJTKT-UHFFFAOYSA-M,,,,,,,,,,,
100.030.050,233-068-7,10027-30-2,Copper phthalate,copper(2+) phthalate,[Cu+2].O=C([O-])c1ccccc1C([O-])=O,[Cu+2].O=C([O-])c1ccccc1C([O-])=O,"InChI=1/C8H6O4.Cu/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2",C8H6O4.Cu,,,,,,GSCLWPQCXDSGBU-UHFFFAOYSA-L,,,,,,,,,,,
100.030.054,233-072-9,10028-22-5,Diiron tris(sulphate),diiron tris(sulphate),[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Fe.3/2H2O4S,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15372,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.054,RUTXIHLAWFEWGM-UHFFFAOYSA-H,,,,,,,,,,,
100.030.059,233-078-1,10030-31-6,N-(N-acetyl-3-phenyl-L-alanyl)-3-phenyl-L-alanine,N-acetylphenylalanyl-L-phenylalanine,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,"InChI=1/C20H22N2O4/c1-14(23)21-17(12-15-8-4-2-5-9-15)19(24)22-18(20(25)26)13-16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)",C20H22N2O4,,,,,,RXVJYWBNKIQSSP-ROUUACIJSA-N,,,,,,,,,,,
100.030.064,233-083-9,10031-13-7,Lead arsenite,lead arsenite,[Pb+2].[O-][As]=O.[O-][As]=O,[Pb+2].[O-][As]=O.[O-][As]=O,"InChI=1/2AsHO2.Pb.2H/c2*2-1-3;;;/h2*(H,2,3);;;/q;;+4;;/p-2/r2AsHO2.H2Pb/c2*2-1-3;/h2*(H,2,3);1H2/q;;+4/p-2",AsHO2.1/2Pb,,,,,,ZIPFHCNPGGEKAI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.065,233-084-4,10031-22-8,Lead dibromide,-,[Pb+2].[Br-].[Br-],[Pb+2].[Br-].[Br-],InChI=1/2BrH.Pb.2H/h2*1H;;;/q;;+4;;/p-2/r2BrH.H2Pb/h2*1H;1H2/q;;+4/p-2,Br2Pb,,,,,,ZASWJUOMEGBQCQ-UHFFFAOYSA-L,,,,,,,,,,,
100.030.066,233-086-5,10031-23-9,Radium bromide,radium dibromide,[Br-].[Br-].[Ra+2],[Br-].[Br-].[Ra+2],InChI=1/2BrH.Ra/h2*1H;/q;;+2/p-2,Br2Ra,,,,,,GIKWXTHTIQCTIH-UHFFFAOYSA-L,,,,,,,,,,,
100.030.068,233-088-6,10031-25-1,Chromium tribromide,-,[Br-].[Br-].[Br-].[Cr+2],[Br-].[Br-].[Br-].[Cr+2],InChI=1/3BrH.Cr/h3*1H;/q;;;+2/p-3,Br3Cr,,,,,,PEQABEZXIYSAFH-UHFFFAOYSA-K,,,,,,,,,,,
100.030.074,233-094-9,10031-86-4,1-phenylpropyl butyrate,1-phenylpropyl butyrate,CCCC(=O)OC(CC)c1ccccc1,CCCC(=O)OC(CC)c1ccccc1,"InChI=1/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3",C13H18O2,,,,,,SNUDRKNHOSAKGS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.075,233-095-4,10031-87-5,2-ethylbutyl acetate,2-ethylbutyl acetate,CCC(CC)COC(=O)C,CCC(CC)COC(=O)C,"InChI=1/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3",C8H16O2,,,,,,HQLKZWRSOHTERR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.083,233-105-7,10032-13-0,Hexyl isovalerate,hexyl 3-methylbutanoate,CCCCCCOC(=O)CC(C)C,CCCCCCOC(=O)CC(C)C,"InChI=1/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3",C11H22O2,,,,,,RSDDTPVXLMVLQE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.084,233-106-2,10032-15-2,Hexyl 2-methylbutyrate,hexyl 2-methylbutanoate,CCCCCCOC(=O)C(C)CC,CCCCCCOC(=O)C(C)CC,"InChI=1/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3",C11H22O2,,,,,,YUECNVSODFDKOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.117,229-828-2,6770-38-3,"1,4-bis(methoxymethyl)benzene","1,4-bis(methoxymethyl)benzene",COCc1ccc(COC)cc1,COCc1ccc(COC)cc1,"InChI=1/C10H14O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6H,7-8H2,1-2H3",C10H14O2,,,,,,DAJPMKAQEUGECW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.450,243-411-2,19894-99-6,"[1R-(1a,2ß,4ß,6a)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane","2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane",CC1(C)C2CC3OC3(C)C1C2,CC1(C)C2CC3OC3(C)C1C2,"InChI=1/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18926,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.450,NQFUSWIGRKFAHK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.455,243-417-5,19898-60-3,"(1a,3ß,4ß,6a)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol","3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol",CC1(C)[C@@H]2C[C@H](O)[C@](C)(O)C[C@H]12,CC1(C)[C@@H]2C[C@H](O)[C@](C)(O)C[C@H]12,"InChI=1/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3",C10H18O2,,,,,,AHVKNBRJVKCGKJ-CHIQAWFVSA-N,,,,,,,,,,,
100.039.458,243-420-1,19900-65-3,"4,4'-methylenebis(2-ethylaniline)","4,4'-methylenebis(2-ethylaniline)",CCc1cc(Cc2ccc(N)c(CC)c2)ccc1N,CCc1cc(Cc2ccc(N)c(CC)c2)ccc1N,"InChI=1/C17H22N2/c1-3-14-10-12(5-7-16(14)18)9-13-6-8-17(19)15(4-2)11-13/h5-8,10-11H,3-4,9,18-19H2,1-2H3",C17H22N2,,,,,,CBEVWPCAHIAUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.460,243-422-2,19900-85-7,"1,1'-[isobutylidenebis(oxy)]bis[2-ethylhexane]","3,3'-[(2-methylpropane-1,1-diyl)bis(oxymethylene)]diheptane",CCCCC(CC)COC(OCC(CC)CCCC)C(C)C,CCCCC(CC)COC(OCC(CC)CCCC)C(C)C,"InChI=1/C20H42O2/c1-7-11-13-18(9-3)15-21-20(17(5)6)22-16-19(10-4)14-12-8-2/h17-20H,7-16H2,1-6H3",C20H42O2,,,,,,BCZAQIZGCCZLOA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.463,243-425-9,19916-65-5,"2,2-dichlorobicyclo[2.2.1]heptane","2,2-dichlorobicyclo[2.2.1]heptane",ClC1(Cl)CC2CCC1C2,ClC1(Cl)CC2CCC1C2,"InChI=1/C7H10Cl2/c8-7(9)4-5-1-2-6(7)3-5/h5-6H,1-4H2",C7H10Cl2,,,,,,AVUURMDQMOTMIU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.479,243-443-7,19962-37-9,"N-(6,7-dihydro-6-oxo-1H-purin-2-yl)acetamide","N-(6-oxo-6,7-dihydro-1H-purin-2-yl)acetamide",CC(=O)NC1=Nc2nc[nH]c2C(=O)N1,CC(=O)NC1=Nc2nc[nH]c2C(=O)N1,"InChI=1/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)",C7H7N5O2,,,,,,MXSMRDDXWJSGMC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.548,219-302-0,6/11/2407,2-chloro-6-nitrobenzothiazole,"2-chloro-6-nitro-1,3-benzothiazole",[O-][N+](=O)c1ccc2nc(Cl)sc2c1,[O-][N+](=O)c1ccc2nc(Cl)sc2c1,InChI=1/C7H3ClN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,C7H3ClN2O2S,,,,,,KUCSJGBXJBQHNI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.549,219-303-6,2407-13-8,"Trisodium 5-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-{[(2,3-dichloroquinoxalin-6-yl)carbonyl]amino}-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccccc5N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4NC(=O)c2cc3nc(Cl)c(Cl)nc3cc2)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccccc5N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4NC(=O)c2cc3nc(Cl)c(Cl)nc3cc2)S([O-])(=O)=O,"InChI=1/C25H15Cl2N5O11S3.3Na/c26-23-24(27)29-16-8-11(5-6-14(16)28-23)25(34)30-17-10-13(44(35,36)37)7-12-9-19(46(41,42)43)21(22(33)20(12)17)32-31-15-3-1-2-4-18(15)45(38,39)40;;;/h1-10,33H,(H,30,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C25H15Cl2N5O11S3.3Na,,,,,,XVQVAOMRVPNMNW-UHFFFAOYSA-K,,,,,,,,,,,
100.017.554,219-308-3,2408-36-8,Lithium cyanide,lithium cyanide,[Li+].[C-]#N,[Li+].[C-]#N,InChI=1/CN.Li/c1-2;/q-1;+1,CLiN,,,,,,JORQDGTZGKHEEO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.559,219-314-6,2409-55-4,2-tert-butyl-p-cresol,2-tert-butyl-4-methylphenol,Cc1ccc(O)c(c1)C(C)(C)C,Cc1ccc(O)c(c1)C(C)(C)C,"InChI=1/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3",C11H16O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6813,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.559,IKEHOXWJQXIQAG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.564,219-319-3,2412-73-9,Cyclohexyl benzoate,cyclohexyl benzoate,O=C(OC1CCCCC1)c2ccccc2,O=C(OC1CCCCC1)c2ccccc2,"InChI=1/C13H16O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2",C13H16O2,,,,,,DQZKGSRJOUYVPL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.568,219-324-0,2415-24-9,"[1aS-(1aa,1bß,2ß,5aß,6ß,6aa)]-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-ß-D-glucopyranoside","6-hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl hexopyranoside",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,"InChI=1/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",C15H22O10,,,,,,LHDWRKICQLTVDL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.576,219-332-4,2417-90-5,3-bromopropiononitrile,3-bromopropanenitrile,BrCCC#N,BrCCC#N,InChI=1/C3H4BrN/c4-2-1-3-5/h1-2H2,C3H4BrN,,,,,,CQZIEDXCLQOOEH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.582,219-339-2,2419-74-1,"1,4-dichlorobutan-2-ol","1,4-dichlorobutan-2-ol",OC(CCl)CCCl,OC(CCl)CCCl,"InChI=1/C4H8Cl2O/c5-2-1-4(7)3-6/h4,7H,1-3H2",C4H8Cl2O,,,,,,CKNNDWZSFAPUJS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.956,223-051-2,3709-43-1,"Disodium 4,4'-dinitrostilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-nitrobenzenesulfonate)",[Na+].[Na+].[O-][N+](=O)c1ccc(\\C=C\\c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C14H10N2O10S2.2Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C14H10N2O10S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5764,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.956,SDCDTWFAOKXZHD-SEPHDYHBSA-L,,,,,,,,,,,
100.030.214,233-250-6,10101-39-0,Calcium silicate,calcium oxosilanediolate,[Ca+2].[O-][Si](=O)[O-],[Ca+2].[O-][Si](=O)[O-],InChI=1/Ca.O3Si/c;1-4(2)3/q+2;-2,Ca.H2O3Si,,,,,,OYACROKNLOSFPA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.220,233-256-9,10101-63-0,Lead diiodide,-,[Pb+2].[I-].[I-],[Pb+2].[I-].[I-],InChI=1/2HI.Pb.2H/h2*1H;;;/q;;+4;;/p-2/r2HI.H2Pb/h2*1H;1H2/q;;+4/p-2,I2Pb,,,,,,RQQRAHKHDFPBMC-UHFFFAOYSA-L,,,,,,,,,,,
100.030.222,233-259-5,10101-83-4,Disodium tetraoxotellurate,disodium tetraoxotellurate,[Na+].[Na+].O=[Te-2](=O)(=O)=O,[Na+].[Na+].O=[Te-2](=O)(=O)=O,"InChI=1/2Na.O4Te/c;;1-5(2,3)4/q2*+1;-2",H2O4Te.2Na,,,,,,OGCQFIROSSQMRB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.224,233-261-6,10101-88-9,Trisodium thiophosphate,trisodium thiophosphate,[Na+].[Na+].[Na+].[O-]P(=O)([O-])[S-],[Na+].[Na+].[Na+].[O-]P(=O)([O-])[S-],"InChI=1/3Na.H3O3PS/c;;;1-4(2,3)5/h;;;(H3,1,2,3,5)/q3*+1;/p-3",H3O3PS.3Na,,,,,,RIFYBBXGYKFBFC-UHFFFAOYSA-K,,,,,,,,,,,
100.030.226,233-263-7,10101-96-9,Nickel(2+) selenite,nickel(2+) selenite,[Ni+2].[O-][Se](=O)[O-],[Ni+2].[O-][Se](=O)[O-],"InChI=1/Ni.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",H2O3Se.Ni,,,,,,GHSAOVDWYLDVNT-UHFFFAOYSA-L,,,,,,,,,,,
100.030.230,233-267-9,10102-18-8,Sodium selenite,disodium selenite,[Na+].[Na+].[O-][Se](=O)[O-],[Na+].[Na+].[O-][Se](=O)[O-],"InChI=1/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",H2O3Se.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11204,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.230,BVTBRVFYZUCAKH-UHFFFAOYSA-L,,,,,,,,,,,
100.030.234,233-272-6,10102-44-0,Nitrogen dioxide,nitrous acid,[O]N=O,[O]N=O,InChI=1/NO2/c2-1-3,NO2,,,,,,JCXJVPUVTGWSNB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.243,233-282-0,10103-43-2,Ammonium hydrogen thiosulphate,ammonium hydrogen thiosulfate,[NH4+].[O-]S(=O)(=O)[S-],[NH4+].[O-]S(=O)(=O)[S-],"InChI=1/H3N.H2O3S2/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)/p-1",H3N.H2O3S2,,,,,,PGVWVVCAXSOASP-UHFFFAOYSA-M,,,,,,,,,,,
100.030.244,233-283-6,10103-46-5,Calcium phosphate,calcium phosphate,[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",Ca.xH3O4P,,,,,,QORWJWZARLRLPR-UHFFFAOYSA-H,,,,,,,,,,,
100.030.247,233-286-2,10103-61-4,"Arsenic acid, copper salt",copper(1+) dihydrogen arsenate,[Cu+].O[As](=O)(O)[O-],[Cu+].O[As](=O)(O)[O-],"InChI=1/AsH3O4.Cu/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1",AsH3O4.xCu,,,,,,GYGOPKGRZPCDOG-UHFFFAOYSA-M,,,,,,,,,,,
100.030.249,233-288-3,10105-42-7,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione trihydrazone","2,4,6-tris(hydrazono)-1,3,5-triazinane",NN=C1NC(=N\\N)/NC(=NN)N1,NN=C1NC(=N\N)/NC(=NN)N1,"InChI=1/C3H9N9/c4-10-1-7-2(11-5)9-3(8-1)12-6/h4-6H2,(H3,7,8,9,10,11,12)",C3H9N9,,,,,,CZGWDPMDAIPURF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.127,227-640-5,5915-60-6,"Disodium 2',2'''-[(2,4-dihydroxy-1,3-phenylene)bis(azo-4,1-phenylene)]bis[6-methyl[2,6'-bibenzothiazole]-7-sulphonate]","disodium 2',2''-[(2,4-dihydroxy-1,3-phenylene)bis(diazene-2,1-diyl-4,1-phenylene)]bis(6-methyl-2,6'-bi-1,3-benzothiazole-7-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c2c(C)ccc1nc(sc12)c3ccc4nc(sc4c3)c5ccc(cc5)N=Nc%11ccc(O)c(N=Nc6ccc(cc6)c7nc8ccc(cc8s7)c9nc%10ccc(C)c(c%10s9)S([O-])(=O)=O)c%11O,[Na+].[Na+].[O-]S(=O)(=O)c2c(C)ccc1nc(sc12)c3ccc4nc(sc4c3)c5ccc(cc5)N=Nc%11ccc(O)c(N=Nc6ccc(cc6)c7nc8ccc(cc8s7)c9nc%10ccc(C)c(c%10s9)S([O-])(=O)=O)c%11O,"InChI=1/C48H30N8O8S6.2Na/c1-23-3-15-34-41(43(23)69(59,60)61)67-47(51-34)27-9-17-31-37(21-27)65-45(49-31)25-5-11-29(12-6-25)53-55-33-19-20-36(57)39(40(33)58)56-54-30-13-7-26(8-14-30)46-50-32-18-10-28(22-38(32)66-46)48-52-35-16-4-24(2)44(42(35)68-48)70(62,63)64;;/h3-22,57-58H,1-2H3,(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2",C48H30N8O8S6.2Na,,,,,,WNXSCCXTLZXVGX-UHFFFAOYSA-L,,,,,,,,,,,
100.025.134,227-647-3,5921-82-4,1-methylhexyl acetate,1-methylhexyl acetate,CCCCCC(C)OC(=O)C,CCCCCC(C)OC(=O)C,"InChI=1/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3",C9H18O2,,,,,,VJYWBLDDQZIGJI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.138,227-652-0,5922-69-0,N-[3-(dimethylamino)propyl]formamide,N-[3-(dimethylamino)propyl]formamide,CN(C)CCCNC=O,CN(C)CCCNC=O,"InChI=1/C6H14N2O/c1-8(2)5-3-4-7-6-9/h6H,3-5H2,1-2H3,(H,7,9)",C6H14N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5805,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.138,WFBDWTZOYPUBQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.140,227-654-1,5924-52-7,4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)azo]naphthalenesulphonic acid,4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid,Oc3cc(ccc3N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)[N+]([O-])=O,Oc3cc(ccc3N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)[N+]([O-])=O,"InChI=1/C16H11N3O7S/c20-14-7-9(19(22)23)5-6-12(14)17-18-13-8-15(27(24,25)26)10-3-1-2-4-11(10)16(13)21/h1-8,20-21H,(H,24,25,26)",C16H11N3O7S,,,,,,TVDYWLGZGGCGAN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.609,229-269-4,6459-86-5,"Disodium 5-[[4'-[[7-(acetylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate",disodium 5-({4'-[(7-acetamido-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4c(cc3ccc(NC(C)=O)cc3c4O)S([O-])(=O)=O)cc5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4c(cc3ccc(NC(C)=O)cc3c4O)S([O-])(=O)=O)cc5,"InChI=1/C31H23N5O8S.2Na/c1-17(37)32-23-11-6-20-14-28(45(42,43)44)29(30(39)25(20)15-23)36-34-22-9-4-19(5-10-22)18-2-7-21(8-3-18)33-35-24-12-13-27(38)26(16-24)31(40)41;;/h2-16,38-39H,1H3,(H,32,37)(H,40,41)(H,42,43,44);;/q;2*+1/p-2",C31H23N5O8S.2Na,,,,,,MJQBIKNFJPVEOF-UHFFFAOYSA-L,,,,,,,,,,,
100.025.005,227-506-6,5860-61-7,"4-(4-aminobutyl)oxazolidine-2,5-dione","4-(4-aminobutyl)-1,3-oxazolidine-2,5-dione",NCCCCC1NC(=O)OC1=O,NCCCCC1NC(=O)OC1=O,"InChI=1/C7H12N2O3/c8-4-2-1-3-5-6(10)12-7(11)9-5/h5H,1-4,8H2,(H,9,11)",C7H12N2O3,,,,,,FCATYYOPYTXOIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.007,227-508-7,5862-38-4,"5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione","5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione",O=C1C2=C(CC3=C(C2)Nc4ccccc4C3=O)Nc5ccccc15,O=C1C2=C(CC3=C(C2)Nc4ccccc4C3=O)Nc5ccccc15,"InChI=1/C20H14N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-8H,9-10H2,(H,21,23)(H,22,24)",C20H14N2O2,,,,,,SNDAOXYSCAWUFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.628,227-090-6,5650-20-4,"3,6,9,12-tetraoxatetradecan-1-ol","3,6,9,12-tetraoxatetradecan-1-ol",CCOCCOCCOCCOCCO,CCOCCOCCOCCOCCO,"InChI=1/C10H22O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h11H,2-10H2,1H3",C10H22O5,,,,,,GTAKOUPXIUWZIA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.630,227-092-7,5650-44-2,2-(methylamino)propiophenone,1-[2-(methylamino)phenyl]propan-1-one,CCC(=O)c1ccccc1NC,CCC(=O)c1ccccc1NC,"InChI=1/C10H13NO/c1-3-10(12)8-6-4-5-7-9(8)11-2/h4-7,11H,3H2,1-2H3",C10H13NO,,,,,,NGNHGKZBLXYQBG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.632,227-094-8,5652-79-9,"N,N'-propanediylidenedianiline","N,N'-propane-1,2-diylidenedianiline",CC(C=Nc1ccccc1)=Nc2ccccc2,CC(C=Nc1ccccc1)=Nc2ccccc2,"InChI=1/C15H14N2/c1-13(17-15-10-6-3-7-11-15)12-16-14-8-4-2-5-9-14/h2-12H,1H3",C15H14N2,,,,,,PNBRIIHSRHIFBF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.633,227-095-3,5653-40-7,"4,5-dimethoxyanthranilic acid","2-amino-4,5-dimethoxybenzoic acid",COc1cc(N)c(cc1OC)C(=O)O,COc1cc(N)c(cc1OC)C(=O)O,"InChI=1/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)",C9H11NO4,,,,,,HJVAVGOPTDJYOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.635,227-097-4,5653-62-3,"2,3-dimethoxybenzonitrile","2,3-dimethoxybenzonitrile",COc1cccc(C#N)c1OC,COc1cccc(C#N)c1OC,"InChI=1/C9H9NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,1-2H3",C9H9NO2,,,,,,LBXGBNHUNHWYRM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.638,227-101-4,5655-61-8,L-born-2-yl acetate,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate",CC(=O)OC1CC2CCC1(C)C2(C)C,CC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",C12H20O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11413,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.638,KGEKLUUHTZCSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.641,227-105-6,5657-17-0,"Ethylenediamine-N,N'-di(acetic acid)","2,2'-(ethane-1,2-diyldiimino)diacetic acid (non-preferred name)",OC(=O)CNCCNCC(=O)O,OC(=O)CNCCNCC(=O)O,"InChI=1/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)",C6H12N2O4,,,,,,IFQUWYZCAGRUJN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.649,227-114-5,5661-03-0,Octahydrocyclopenta[c]pyrrole,octahydrocyclopenta[c]pyrrole,C1CC2CNCC2C1,C1CC2CNCC2C1,"InChI=1/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2",C7H13N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7635,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.649,UZHVXJZEHGSWQV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.654,227-119-2,5663-56-9,"2-(3,4-dimethoxyphenyl)acetamide","2-(3,4-dimethoxyphenyl)acetamide",COc1ccc(CC(=O)N)cc1OC,COc1ccc(CC(=O)N)cc1OC,"InChI=1/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)",C10H13NO3,,,,,,CUWOZWFDSYIYHL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.656,227-121-3,5663-96-7,Oct-2-ynoic acid,oct-2-ynoic acid,CCCCCC#CC(=O)O,CCCCCC#CC(=O)O,"InChI=1/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)",C8H12O2,,,,,,BQDKCWCMDBMLEH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.660,227-126-0,5667-46-9,"1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolinium dihydrogen phosphate","1-(4-ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinolinium dihydrogen phosphate",CCOc1ccc(Cc2[nH+]c(C)cc3cc(OC)c(OC)cc23)cc1OC.[O-]P(=O)([O-])[O-],CCOc1ccc(Cc2[nH+]c(C)cc3cc(OC)c(OC)cc23)cc1OC.[O-]P(=O)([O-])[O-],"InChI=1/C22H25NO4.H3O4P/c1-6-27-19-8-7-15(11-20(19)24-3)10-18-17-13-22(26-5)21(25-4)12-16(17)9-14(2)23-18;1-5(2,3)4/h7-9,11-13H,6,10H2,1-5H3;(H3,1,2,3,4)/p-2",C22H25NO4.H3O4P,,,,,,YZKZXTBSUSEYQZ-UHFFFAOYSA-L,,,,,,,,,,,
100.028.693,231-562-7,7633-69-4,"Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-acetate, (1a,14a,16ß)-","20-ethyl-1,8-dihydroxy-15-methoxy-4-(methoxymethyl)aconitan-14-yl acetate",CCN1CC2(COC)CCC(O)C34C5CC6CC(OC)C(O)(C(CC23)C14)C5C6OC(=O)C,CCN1CC2(COC)CCC(O)C34C5CC6CC(OC)C(O)(C(CC23)C14)C5C6OC(=O)C,"InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-18(28)24-15-8-14-9-19(31-4)25(29,16(22(24)26)10-17(23)24)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3",C25H39NO6,,,,,,YGWOQCYFFSOYKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.754,225-029-8,4618-88-6,3-amino-7-[[4-(dimethylamino)phenyl]azo]-5-phenylphenazinium chloride,3-amino-7-{[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride,[Cl-].CN(C)c1ccc(cc1)N=Nc2cc3[n+](c4cc(N)ccc4nc3cc2)c5ccccc5,[Cl-].CN(C)c1ccc(cc1)N=Nc2cc3[n+](c4cc(N)ccc4nc3cc2)c5ccccc5,"InChI=1/C26H22N6.ClH/c1-31(2)21-12-9-19(10-13-21)29-30-20-11-15-24-26(17-20)32(22-6-4-3-5-7-22)25-16-18(27)8-14-23(25)28-24;/h3-17,27H,1-2H3;1H",C26H23N6.Cl,,,,,,VZCCTDLWCKUBGD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.757,225-032-4,4619-74-3,"2,4,6-tribromo-m-cresol","2,4,6-tribromo-3-methylphenol",Cc1c(Br)cc(Br)c(O)c1Br,Cc1c(Br)cc(Br)c(O)c1Br,"InChI=1/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3",C7H5Br3O,,,,,,QKHROXOPRBWBDD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.765,225-041-3,4628-21-1,(Z)-1-chlorobut-2-ene,1-chlorobut-2-ene,C\\C=C/CCl,C\C=C/CCl,"InChI=1/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3",C4H7Cl,,,,,,YTKRILODNOEEPX-IHWYPQMZSA-N,,,,,,,,,,,
100.022.767,225-043-4,4628-94-8,"Dipotassium 1,3,4-thiadiazole-2,5-dithiolate","dipotassium 1,3,4-thiadiazole-2,5-bis(thiolate)",[K+].[K+].[S-]c1nnc([S-])s1,[K+].[K+].[S-]c1nnc([S-])s1,"InChI=1/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;/q;2*+1/p-2",C2H2N2S3.2K,,,,,,GPWLFGDMYSVEGN-UHFFFAOYSA-L,,,,,,,,,,,
100.022.768,225-045-5,4629-58-7,4-(4-nitrostyryl)aniline,4-[2-(4-nitrophenyl)vinyl]aniline,Nc1ccc(\\C=C\\c2ccc(cc2)[N+](=O)[O-])cc1,Nc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C14H12N2O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h1-10H,15H2",C14H12N2O2,,,,,,CHIJEKAVDZLCJA-OWOJBTEDSA-N,,,,,,,,,,,
100.022.775,225-052-3,4631-96-3,4-nonylcyclohexan-1-ol,4-nonylcyclohexanol,CCCCCCCCCC1CCC(O)CC1,CCCCCCCCCC1CCC(O)CC1,"InChI=1/C15H30O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h14-16H,2-13H2,1H3",C15H30O,,,,,,YJIHHZAGMZFGKS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.777,225-054-4,3/01/4632,2-sec-butylcyclohexan-1-ol,2-sec-butylcyclohexanol,CCC(C)C1CCCCC1O,CCC(C)C1CCCCC1O,"InChI=1/C10H20O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-11H,3-7H2,1-2H3",C10H20O,,,,,,HSTMKGFYRGMMOF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.782,225-060-7,4635-87-4,Pent-3-enenitrile,pent-3-enenitrile,CC=CCC#N,CC=CCC#N,"InChI=1/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3",C5H7N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11850,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.782,UVKXJAUUKPDDNW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.783,225-061-2,4636-73-1,Triethylammonium iodide,"N,N-diethylethanaminium iodide",[I-].CC[NH+](CC)CC,[I-].CC[NH+](CC)CC,"InChI=1/C6H15N.HI/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H",C6H15N.HI,,,,,,XEWVCDMEDQYCHX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.688,229-356-7,6486-24-4,2-[(4-methyl-2-nitrophenyl)azo]-oxo-N-(o-tolyl)butyramide,2-[(4-methyl-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxobutanamide,CC(=O)C(N=Nc1ccc(C)cc1N(=O)=O)C(=O)Nc2ccccc2C,CC(=O)C(N=Nc1ccc(C)cc1N(=O)=O)C(=O)Nc2ccccc2C,"InChI=1/C18H18N4O4/c1-11-8-9-15(16(10-11)22(25)26)20-21-17(13(3)23)18(24)19-14-7-5-4-6-12(14)2/h4-10,17H,1-3H3,(H,19,24)",C18H18N4O4,,,,,,UVCNYGKGCXIZDV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.693,229-361-4,3/04/6487,"Disodium 5-[[2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-({2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1cc(ccc1O)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1cc(ccc1O)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C28H18N8O14S2.2Na/c37-21-7-5-16(36(43)44)11-19(21)31-33-25-22(38)8-6-18(27(25)39)30-32-20-12-17(51(45,46)47)9-13-10-23(52(48,49)50)26(28(40)24(13)20)34-29-14-1-3-15(4-2-14)35(41)42;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C28H18N8O14S2.2Na,,,,,,OJFUEILETDLNQK-UHFFFAOYSA-L,,,,,,,,,,,
100.026.694,229-363-5,4/05/6487,"Disodium 6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonate","disodium 6-({2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1cc(cc([N+]([O-])=O)c1O)S([O-])(=O)=O)N=Nc4cc5c(O)c(N=Nc3ccc(cc3)[N+]([O-])=O)c(cc5cc4)S([O-])(=O)=O,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1cc(cc([N+]([O-])=O)c1O)S([O-])(=O)=O)N=Nc4cc5c(O)c(N=Nc3ccc(cc3)[N+]([O-])=O)c(cc5cc4)S([O-])(=O)=O,"InChI=1/C28H18N8O14S2.2Na/c37-22-8-7-19(28(40)24(22)33-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C28H18N8O14S2.2Na,,,,,,UNWRVWKEMRFYKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.026.713,229-383-4,6502-20-1,3-o-cumenyl-2-methylpropionaldehyde,3-(2-isopropylphenyl)-2-methylpropanal,CC(Cc1ccccc1C(C)C)C=O,CC(Cc1ccccc1C(C)C)C=O,"InChI=1/C13H18O/c1-10(2)13-7-5-4-6-12(13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3",C13H18O,,,,,,YLQPSXZFPBXHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.723,229-394-4,6506-37-2,Nimorazole,4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]morpholine,[O-][N+](=O)c1cncn1CCN2CCOCC2,[O-][N+](=O)c1cncn1CCN2CCOCC2,"InChI=1/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2",C9H14N4O3,,,,,,MDJFHRLTPRPZLY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.961,223-057-5,3711-13-5,"2,2-dimethylpropane-1,3-diyl dipropionate","2,2-dimethylpropane-1,3-diyl dipropanoate",CCC(=O)OCC(C)(C)COC(=O)CC,CCC(=O)OCC(C)(C)COC(=O)CC,"InChI=1/C11H20O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-8H2,1-4H3",C11H20O4,,,,,,XVNRPMYATPUZQL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.971,223-068-5,3718-88-5,3-iodobenzylamine hydrochloride,1-(3-iodophenyl)methanamine hydrochloride,Cl.NCc1cccc(I)c1,Cl.NCc1cccc(I)c1,"InChI=1/C7H8IN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H",C7H8IN.ClH,,,,,,PYFDZOCGFHIRST-UHFFFAOYSA-N,,,,,,,,,,,
100.020.978,223-075-3,3724-54-7,Methyl cyclooctanecarboxylate,methyl cyclooctanecarboxylate,COC(=O)C1CCCCCCC1,COC(=O)C1CCCCCCC1,"InChI=1/C10H18O2/c1-12-10(11)9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3",C10H18O2,,,,,,RGWPTUUKSDBWRA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.985,223-083-7,3727-53-5,trans-hexahydro-3-methylenebenzofuran-2(3H)-one,3-methylenehexahydro-1-benzofuran-2(3H)-one,C=C1[C@@H]2CCCC[C@H]2OC1=O,C=C1[C@@H]2CCCC[C@H]2OC1=O,"InChI=1/C9H12O2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h7-8H,1-5H2",C9H12O2,,,,,,JZULHXPIDKRFAY-JGVFFNPUSA-N,,,,,,,,,,,
100.020.988,223-086-3,3731-16-6,Ethyl 2-oxopiperidine-3-carboxylate,ethyl 2-oxopiperidine-3-carboxylate,CCOC(=O)C1CCCNC1=O,CCOC(=O)C1CCCNC1=O,"InChI=1/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)",C8H13NO3,,,,,,DUMNOWYWTAYLJN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.991,223-090-5,3731-51-9,2-pyridylmethylamine,1-pyridin-2-ylmethanamine,NCc1ccccn1,NCc1ccccn1,"InChI=1/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2",C6H8N2,,,,,,WOXFMYVTSLAQMO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.992,223-091-0,3731-52-0,Picolamine,1-pyridin-3-ylmethanamine,NCc1cccnc1,NCc1cccnc1,"InChI=1/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2",C6H8N2,,,,,,HDOUGSFASVGDCS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.993,223-092-6,3731-53-1,(4-pyridylmethyl)amine,1-pyridin-4-ylmethanamine,NCc1ccncc1,NCc1ccncc1,"InChI=1/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2",C6H8N2,,,,,,TXQWFIVRZNOPCK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.995,223-094-7,3734-16-5,"1,2-dimethyl-3-phenylpyrrolidin-3-yl propionate hydrochloride","1,2-dimethyl-3-phenylpyrrolidin-3-yl propanoate hydrochloride",Cl.CCC(=O)OC1(CCN(C)C1C)c2ccccc2,Cl.CCC(=O)OC1(CCN(C)C1C)c2ccccc2,"InChI=1/C15H21NO2.ClH/c1-4-14(17)18-15(10-11-16(3)12(15)2)13-8-6-5-7-9-13;/h5-9,12H,4,10-11H2,1-3H3;1H",C15H21NO2.ClH,,,,,,RBBBYDOGRKOESS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.997,223-096-8,3734-48-3,"4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene","4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene",ClC1=C(Cl)C2(Cl)C3C=CCC3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C=CCC3C1(Cl)C2(Cl)Cl,"InChI=1/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2",C10H6Cl6,,,,,,XCJXQCUJXDUNDN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.998,223-097-3,3734-52-9,Metazocine,"3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2C,CC1C2Cc3ccc(O)cc3C1(C)CCN2C,"InChI=1/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3",C15H21NO,,,,,,YGSVZRIZCHZUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.999,223-098-9,3734-67-6,"Disodium 5-acetylamino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate","disodium 5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C18H15N3O8S2.2Na/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C18H15N3O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17290,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.999,WXLFIFHRGFOVCD-UHFFFAOYSA-L,,,,,,,,,,,
100.021.631,223-793-7,4075-58-5,Ethyl a-oxothiophen-2-acetate,ethyl oxo(2-thienyl)acetate,CCOC(=O)C(=O)c1cccs1,CCOC(=O)C(=O)c1cccs1,"InChI=1/C8H8O3S/c1-2-11-8(10)7(9)6-4-3-5-12-6/h3-5H,2H2,1H3",C8H8O3S,,,,,,GHOVLEQTRNXASK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.971,216-467-0,1591-02-2,Dibutoxy(dimethyl)silane,dibutoxy(dimethyl)silane,CCCCO[Si](C)(C)OCCCC,CCCCO[Si](C)(C)OCCCC,"InChI=1/C10H24O2Si/c1-5-7-9-11-13(3,4)12-10-8-6-2/h5-10H2,1-4H3",C10H24O2Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17107,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.971,GQNWJCQWBFHQAO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.972,216-468-6,1591-30-6,"[1,1'-biphenyl]-4,4'-dicarbonitrile","biphenyl-4,4'-dicarbonitrile",N#Cc1ccc(cc1)c2ccc(cc2)C#N,N#Cc1ccc(cc1)c2ccc(cc2)C#N,InChI=1/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,C14H8N2,,,,,,KAXYYLCSSXFXKR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.976,216-472-8,1592-23-0,Calcium distearate,calcium dioctadecanoate,[Ca+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Ca,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18930,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.976,CJZGTCYPCWQAJB-UHFFFAOYSA-L,,,,,,,,,,,
100.014.980,216-477-5,1594-56-5,"2,4-dinitrophenyl thiocyanate","2,4-dinitrophenyl thiocyanate",[O-][N+](=O)c1ccc(SC#N)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(SC#N)c(c1)[N+](=O)[O-],InChI=1/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H,C7H3N3O4S,,,,,,XQDQRCRASHAZBA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.094,233-117-2,10039-33-5,"2-ethylhexyl 14-ethyl-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate","2-ethylhexyl 14-ethyl-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dien-1-oate",O=C(O[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)CCCCCCCC)C=CC(=O)OCC(CC)CCCC,O=C(O[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)CCCCCCCC)C=CC(=O)OCC(CC)CCCC,"InChI=1/2C12H20O4.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC40H72O8Sn/c1-7-13-17-19-21-23-31-49(32-24-22-20-18-14-8-2,47-39(43)29-27-37(41)45-33-35(11-5)25-15-9-3)48-40(44)30-28-38(42)46-34-36(12-6)26-16-10-4/h27-30,35-36H,7-26,31-34H2,1-6H3",C40H72O8Sn,,,,,,LUHRVCWDUSUHMP-UHFFFAOYSA-L,,,,,,,,,,,
100.030.095,233-118-8,10039-54-0,Bis(hydroxylammonium) sulphate,bis(hydroxyammonium) sulfate,[NH3+]O.[NH3+]O.[O-]S(=O)(=O)[O-],[NH3+]O.[NH3+]O.[O-]S(=O)(=O)[O-],"InChI=1/2H4NO.H2O4S/c2*1-2;1-5(2,3)4/h2*2H,1H3;(H2,1,2,3,4)/q2*+1;/p-2",H3NO.1/2H2O4S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15012,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.095,VGYYSIDKAKXZEE-UHFFFAOYSA-L,,,,,,,,,,,
100.030.098,233-121-4,10041-02-8,1-(p-hydroxyphenyl)imidazole,4-(1H-imidazol-1-yl)phenol,Oc1ccc(cc1)n2ccnc2,Oc1ccc(cc1)n2ccnc2,"InChI=1/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H",C9H8N2O,,,,,,CYKCUAPYWQDIKR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.100,233-124-0,10041-19-7,"1,4-bis(2-ethylhexyl) 2-sulphosuccinate","1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid",CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,"InChI=1/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)",C20H38O7S,,,,,,HNSDLXPSAYFUHK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.103,233-127-7,10042-65-6,"Stearic acid, compound with 1-aminopropan-2-ol (1:1)",octadecanoic acid - 1-aminopropan-2-ol (1:1),CCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN,CCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN,"InChI=1/C18H36O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h2-17H2,1H3,(H,19,20);3,5H,2,4H2,1H3",C18H36O2.C3H9NO,,,,,,TUSQGJPKLFNBCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.105,233-129-8,10042-67-8,"Stearic acid, compound with 1,1',1''-nitrilotri(propan-2-ol) (1:1)","octadecanoic acid - 1,1',1''-nitrilotripropan-2-ol (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O,CCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O,"InChI=1/C18H36O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-17H2,1H3,(H,19,20);7-9,11-13H,4-6H2,1-3H3",C18H36O2.C9H21NO3,,,,,,PJXWYLSAKUNJSC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.106,233-130-3,10042-71-4,Sodium 2-naphthyloxyacetate,sodium (2-naphthyloxy)acetate,[Na+].[O-]C(=O)COc1ccc2ccccc2c1,[Na+].[O-]C(=O)COc1ccc2ccccc2c1,"InChI=1/C12H10O3.Na/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;/h1-7H,8H2,(H,13,14);/q;+1/p-1",C12H10O3.Na,,,,,,OATPCHCCLFKLTN-UHFFFAOYSA-M,,,,,,,,,,,
100.030.109,233-134-5,10042-91-8,"Diphosphoric acid, sodium salt",sodium trihydrogen diphosphate,[Na+].OP(=O)(O)OP(=O)(O)[O-],[Na+].OP(=O)(O)OP(=O)(O)[O-],"InChI=1/Na.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;/p-1",H4O7P2.xNa,,,,,,YIVJSMIYMAOVSJ-UHFFFAOYSA-M,,,,,,,,,,,
100.030.116,233-141-3,10043-67-1,Aluminium potassium bis(sulphate),aluminium potassium bis(sulphate),[Al+3].[K+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Al+3].[K+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",Al.2H2O4S.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13790,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.116,GRLPQNLYRHEGIJ-UHFFFAOYSA-J,,,,,,,,,,,
100.030.123,233-149-7,10045-86-0,Iron orthophosphate,iron(3+) phosphate,[Fe+3].[O-]P(=O)([O-])[O-],[Fe+3].[O-]P(=O)([O-])[O-],"InChI=1/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",Fe.H3O4P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13292,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.123,WBJZTOZJJYAKHQ-UHFFFAOYSA-K,,,,,,,,,,,
100.024.750,227-224-3,5721-12-0,Ethyl DL-lysinate dihydrochloride,ethyl L-lysinate dihydrochloride,Cl.Cl.CCOC(=O)[C@@H](N)CCCCN,Cl.Cl.CCOC(=O)[C@@H](N)CCCCN,"InChI=1/C8H18N2O2.2ClH/c1-2-12-8(11)7(10)5-3-4-6-9;;/h7H,2-6,9-10H2,1H3;2*1H",C8H18N2O2.2ClH,,,,,,DZIYAIZKJOHVQC-KLXURFKVSA-N,,,,,,,,,,,
100.024.751,227-225-9,5721-31-3,Tetrapentylthioperoxydicarbamic acid,"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetrapentane",CCCCCN(CCCCC)C(=S)SSC(=S)N(CCCCC)CCCCC,CCCCCN(CCCCC)C(=S)SSC(=S)N(CCCCC)CCCCC,"InChI=1/C22H44N2S4/c1-5-9-13-17-23(18-14-10-6-2)21(25)27-28-22(26)24(19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3",C22H44N2S4,,,,,,HDKVJYLPNIUCJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.755,227-230-6,5724-81-2,"3,4-dihydro-2H-pyrrole","3,4-dihydro-2H-pyrrole",C1CC=NC1,C1CC=NC1,"InChI=1/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2",C4H7N,,,,,,ZVJHJDDKYZXRJI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.756,227-231-1,5726-19-2,2-methylcyclohexyl acetate,2-methylcyclohexyl acetate,CC1CCCCC1OC(=O)C,CC1CCCCC1OC(=O)C,"InChI=1/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3",C9H16O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14289,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.756,AKIIJALHGMKJEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.700,231-570-0,7637-13-0,Tin stearate,tin(4+) tetraoctadecanoate,[Sn+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Sn+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/4C18H36O2.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4",C18H36O2.xSn,,,,,,JFOJYGMDZRCSPA-UHFFFAOYSA-J,,,,,,,,,,,
100.028.703,231-573-7,7640-29-1,"Formic acid, compound with 4-[2-(methylamino)propyl]phenol (1:1)",formic acid - 4-[2-(methylamino)propyl]phenol (1:1),CNC(C)Cc1ccc(O)cc1.OC=O,CNC(C)Cc1ccc(O)cc1.OC=O,"InChI=1/C10H15NO.CH2O2/c1-8(11-2)7-9-3-5-10(12)6-4-9;2-1-3/h3-6,8,11-12H,7H2,1-2H3;1H,(H,2,3)",C10H15NO.CH2O2,,,,,,AVLACTMBYHUGEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.719,231-591-5,7646-81-3,Dihexylphosphinic acid,dihexylphosphinic acid,CCCCCCP(=O)(O)CCCCCC,CCCCCCP(=O)(O)CCCCCC,"InChI=1/C12H27O2P/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,14)",C12H27O2P,,,,,,NGKCHGKFHQDOPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.724,231-596-2,1/10/7647,Palladium dichloride,palladium(2+) dichloride,[Cl-].[Cl-].[Pd+2],[Cl-].[Cl-].[Pd+2],InChI=1/2ClH.Pd/h2*1H;/q;;+2/p-2,Cl2Pd,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18657,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.724,PIBWKRNGBLPSSY-UHFFFAOYSA-L,,,,,,,,,,,
100.028.727,231-599-9,7647-15-6,Sodium bromide,sodium bromide,[Na+].[Br-],[Na+].[Br-],InChI=1/BrH.Na/h1H;/q;+1/p-1,BrNa,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15213,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.727,JHJLBTNAGRQEKS-UHFFFAOYSA-M,,,,,,,,,,,
100.028.730,231-602-3,7647-19-0,Phosphorus pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[PH6+3],[F-].[F-].[F-].[F-].[F-].[PH6+3],InChI=1/5FH.H5P/h5*1H;1H5/q;;;;;+3/p-5,F5P,,,,,,ZDLPGDXPMNWMMM-UHFFFAOYSA-I,,,,,,,,,,,
100.026.613,229-274-1,5/05/6460,"Hydrogen [4-[[4-(dimethylamino)-3-sulphonatophenyl][4-[methyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, sodium salt","sodium 3-{[(4-{[4-(dimethylamino)-3-sulfophenyl][4-(dimethyl-lambda~5~-azanylidene)cyclohexa-2,5-dien-1-ylidene]methyl}phenyl)(methyl)amino]methyl}benzenesulfonate",CN(C)c1ccc(cc1S(=O)(=O)O)C(=C2C=CC(=N(C)C)C=C2)c3ccc(cc3)N(C)Cc4cccc(c4)S(=O)(=O)O[Na],CN(C)c1ccc(cc1S(=O)(=O)O)C(=C2C=CC(=N(C)C)C=C2)c3ccc(cc3)N(C)Cc4cccc(c4)S(=O)(=O)O[Na],"InChI=1/C31H34N3O6S2.Na/c1-32(2)26-14-9-23(10-15-26)31(25-13-18-29(33(3)4)30(20-25)42(38,39)40)24-11-16-27(17-12-24)34(5)21-22-7-6-8-28(19-22)41(35,36)37;/h6-20H,21H2,1-5H3,(H,35,36,37)(H,38,39,40);/q;+1/p-1/rC31H33N3NaO6S2/c1-32(2)26-14-9-23(10-15-26)31(25-13-18-29(33(3)4)30(20-25)42(36,37)38)24-11-16-27(17-12-24)34(5)21-22-7-6-8-28(19-22)43(39,40)41-35/h6-20H,21H2,1-5H3,(H,36,37,38)",C31H33N3O6S2.Na,,,,,,RSFHEERVUAGFOA-UHFFFAOYSA-M,,,,,,,,,,,
100.026.616,229-277-8,6461-99-0,"4,4'-sulphonylbis(benzonitrile)","4,4'-sulfonyldibenzonitrile",O=S(=O)(c1ccc(cc1)C#N)c2ccc(cc2)C#N,O=S(=O)(c1ccc(cc1)C#N)c2ccc(cc2)C#N,"InChI=1/C14H8N2O2S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8H",C14H8N2O2S,,,,,,MZKBKRFSDLTYAN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.622,229-284-6,6469-32-5,4-methylthiazole-5-propionic acid,"3-(4-methyl-1,3-thiazol-5-yl)propanoic acid",Cc1ncsc1CCC(=O)O,Cc1ncsc1CCC(=O)O,"InChI=1/C7H9NO2S/c1-5-6(11-4-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)",C7H9NO2S,,,,,,HPMBMJNAPIPXFK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.250,231-074-4,7432-21-5,N-benzyloxycarbonyl-L-tryptophan,N-[(benzyloxy)carbonyl]-D-tryptophan,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc3ccccc3,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc3ccccc3,"InChI=1/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)",C19H18N2O4,,,,,,AHYFYYVVAXRMKB-KRWDZBQOSA-N,,,,,,,,,,,
100.028.253,231-078-6,7432-44-2,"Methyl (3a,5ß,7a,12a)-7-acetoxy-3,12-dihydroxycholan-24-oate","methyl 7-acetoxy-3,12-dihydroxycholan-24-oate",COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)C,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)C,"InChI=1/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-23,25,29-30H,6-14H2,1-5H3",C27H44O6,,,,,,MQMDKPZWEWBJGP-FZMDYVDPSA-N,,,,,,,,,,,
100.028.256,231-081-2,7434-40-4,"Ethane-1,2-diylbis(oxyethane-2,1-diyl) bisheptanoate","ethane-1,2-diylbis(oxyethane-2,1-diyl) diheptanoate",CCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCC,CCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCC,"InChI=1/C20H38O6/c1-3-5-7-9-11-19(21)25-17-15-23-13-14-24-16-18-26-20(22)12-10-8-6-4-2/h3-18H2,1-2H3",C20H38O6,,,,,,GCDUWJFWXVRGSM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.258,231-083-3,1/02/7435,"Octanoic acid, cerium salt",-,[Ce+3].CCCCCCCC(=O)[O-],[Ce+3].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Ce/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+3/p-1",C8H16O2.xCe,,,,,,BXFLOJVJKAGWAA-UHFFFAOYSA-M,,,,,,,,,,,
100.028.259,231-084-9,3/12/7435,"7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-benzo-1,4-diazepin-2-one 4-oxide","7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide",Fc1ccccc1C2=N(=O)CC(=O)Nc3ccc(Cl)cc23,Fc1ccccc1C2=N(=O)CC(=O)Nc3ccc(Cl)cc23,"InChI=1/C15H10ClFN2O2/c16-9-5-6-13-11(7-9)15(19(21)8-14(20)18-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)",C15H10ClFN2O2,,,,,,ZGTHEZQZYSLZDD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.276,231-104-6,7439-95-4,Magnesium,magnesium,[MgH2],[MgH2],InChI=1/Mg.2H/q+2;;/rH2Mg/h1H2/q+2,Mg,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15545,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.276,RSHAOIXHUHAZPM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.725,229-397-0,6507-78-4,"Trisodium 7-hydroxy-8-[[4-[1-[4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonate","trisodium 7-hydroxy-8-{[4-(1-{4-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]phenyl}cyclohexyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(cc7ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c5ccc(N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)cc5)c67)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(cc7ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c5ccc(N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)cc5)c67)S([O-])(=O)=O,"InChI=1/C38H32N4O11S3.3Na/c43-32-17-8-23-20-28(54(45,46)47)21-34(56(51,52)53)35(23)36(32)42-40-27-15-11-25(12-16-27)38(18-4-1-5-19-38)24-9-13-26(14-10-24)39-41-31-22-33(55(48,49)50)29-6-2-3-7-30(29)37(31)44;;;/h2-3,6-17,20-22,43-44H,1,4-5,18-19H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C38H32N4O11S3.3Na,,,,,,NWOFPTMLQCEISY-UHFFFAOYSA-K,,,,,,,,,,,
100.026.726,229-398-6,6507-79-5,"Disodium 3,3'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonate)","disodium 3,3'-{cyclohexane-1,1-diylbis[(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis(4,6-dihydroxynaphthalene-2-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c7cc1ccc(O)cc1c(O)c7N=Nc2ccc(cc2C)C3(CCCCC3)c6cc(C)c(N=Nc5c(cc4ccc(O)cc4c5O)S([O-])(=O)=O)cc6,[Na+].[Na+].[O-]S(=O)(=O)c7cc1ccc(O)cc1c(O)c7N=Nc2ccc(cc2C)C3(CCCCC3)c6cc(C)c(N=Nc5c(cc4ccc(O)cc4c5O)S([O-])(=O)=O)cc6,"InChI=1/C40H36N4O10S2.2Na/c1-22-16-26(8-12-32(22)41-43-36-34(55(49,50)51)18-24-6-10-28(45)20-30(24)38(36)47)40(14-4-3-5-15-40)27-9-13-33(23(2)17-27)42-44-37-35(56(52,53)54)19-25-7-11-29(46)21-31(25)39(37)48;;/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2",C40H36N4O10S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18156,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.726,SWYAODARJIJAKL-UHFFFAOYSA-L,,,,,,,,,,,
100.030.216,233-252-7,10101-52-7,Zirconium orthosilicate,dizirconium(2+) orthosilicate,[Zr+2].[Zr+2].[O-][Si]([O-])([O-])[O-],[Zr+2].[Zr+2].[O-][Si]([O-])([O-])[O-],"InChI=1/O4Si.2Zr/c1-5(2,3)4;;/q-4;2*+2",H4O4Si.Zr,,,,,,UAQAUDAJGLPCHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.217,233-253-2,10101-53-8,Dichromium tris(sulphate),dichromium tris(sulphate),[Cr+2].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Cr+2].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Cr.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+2;;;/p-6",Cr.3/2H2O4S,,,,,,LPRGTYRWAKBNSY-UHFFFAOYSA-H,,,,,,,,,,,
100.030.219,233-255-3,10101-60-7,Ammonium iron phosphate,ammonium iron(2+) phosphate,[Fe+2].[NH4+].[O-]P([O-])([O-])=O,[Fe+2].[NH4+].[O-]P([O-])([O-])=O,"InChI=1/Fe.H3N.H3O4P/c;;1-5(2,3)4/h;1H3;(H3,1,2,3,4)/q+2;;/p-2",Fe.H3N.H3O4P,,,,,,PTZOLXYHGCJRHA-UHFFFAOYSA-L,,,,,,,,,,,
100.030.225,233-262-1,10101-95-8,Dineodymium trisulphate,dineodymium trisulphate,[Nd+3].[Nd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Nd+3].[Nd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Nd.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",H2O4S.2/3Nd,,,,,,OJSWEKSDNUORPG-UHFFFAOYSA-H,,,,,,,,,,,
100.030.231,233-268-4,10102-20-2,Disodium trioxotellurate,disodium trioxotellurate,[Na+].[Na+].O=[Te-2](=O)=O,[Na+].[Na+].O=[Te-2](=O)=O,InChI=1/2Na.O3Te/c;;1-4(2)3/q2*+1;-2,H2O3Te.2Na,,,,,,IXFNLSIYOOICAP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.233,233-271-0,10102-43-9,Nitrogen monoxide,-,O=[N],O=[N],InChI=1/NO/c1-2,NO,,,,,,MWUXSHHQAYIFBG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.239,233-277-3,10102-71-3,Aluminium sodium bis(sulphate),aluminium sodium bis(sulphate),[Na+].[Al+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Na+].[Al+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Al.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",Al.2H2O4S.Na,,,,,,GJPYYNMJTJNYTO-UHFFFAOYSA-J,,,,,,,,,,,
100.030.241,233-279-4,10102-90-6,"Diphosphoric acid, copper salt",copper(2+) dihydrogen diphosphate,[Cu+2].[O-]P(O)(=O)OP([O-])(O)=O,[Cu+2].[O-]P(O)(=O)OP([O-])(O)=O,"InChI=1/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2",Cu.xH4O7P2,,,,,,LCSAYGBGVLEKPO-UHFFFAOYSA-L,,,,,,,,,,,
100.025.132,227-645-2,5921-65-3,"6-nonyl-1,3,5-triazine-2,4-diamine","6-nonyl-1,3,5-triazine-2,4-diamine",CCCCCCCCCc1nc(N)nc(N)n1,CCCCCCCCCc1nc(N)nc(N)n1,"InChI=1/C12H23N5/c1-2-3-4-5-6-7-8-9-10-15-11(13)17-12(14)16-10/h2-9H2,1H3,(H4,13,14,15,16,17)",C12H23N5,,,,,,BDPPZSFVSOBOIX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.133,227-646-8,5921-73-3,Non-2-yn-1-ol,non-2-yn-1-ol,CCCCCCC#CCO,CCCCCCC#CCO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-6,9H2,1H3",C9H16O,,,,,,XERDOEKKHDALKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.135,227-648-9,5921-87-9,4-octyl acetate,1-propylpentyl acetate,CCCCC(CCC)OC(=O)C,CCCCC(CCC)OC(=O)C,"InChI=1/C10H20O2/c1-4-6-8-10(7-5-2)12-9(3)11/h10H,4-8H2,1-3H3",C10H20O2,,,,,,OPYUCGUEXGXBNL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.088,233-110-4,10034-93-2,Hydrazinium(2+) sulphate,hydrazine sulfate,NN.OS(=O)(=O)O,NN.OS(=O)(=O)O,"InChI=1/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)",H4N2.H2O4S,,,,,,ZGCHATBSUIJLRL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.089,233-112-5,10034-94-3,Dimagnesium silicate,dimagnesium silicate,[Mg+2].[Mg+2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Mg+2].[Mg+2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Mg.2O3Si/c;;2*1-4(2)3/q2*+2;2*-2,H4O4Si.2Mg,,,,,,QKQRCADZAGXAMY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.985,216-482-2,1596-64-1,(S)-ß-amino-1H-imidazole-4-propanol dihydrochloride,2-amino-3-(1H-imidazol-4-yl)propan-1-ol dihydrochloride,Cl.Cl.N[C@H](CO)Cc1c[nH]cn1,Cl.Cl.N[C@H](CO)Cc1c[nH]cn1,"InChI=1/C6H11N3O.2ClH/c7-5(3-10)1-6-2-8-4-9-6;;/h2,4-5,10H,1,3,7H2,(H,8,9);2*1H",C6H11N3O.2ClH,,,,,,FRCAFNBBXRWXQA-XRIGFGBMSA-N,,,,,,,,,,,
100.014.986,216-483-8,1596-67-4,O-(4-hydroxyphenyl)-L-tyrosine,O-(4-hydroxyphenyl)tyrosine,N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O,N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O,"InChI=1/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)",C15H15NO4,,,,,,KKCIOUWDFWQUBT-AWEZNQCLSA-N,,,,,,,,,,,
100.014.992,216-490-6,1599-67-3,Docos-1-ene,docos-1-ene,CCCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3",C22H44,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6932,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.992,SPURMHFLEKVAAS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.997,216-495-3,1602-40-0,"N2-(2,4-dinitrophenyl)-L-asparagine","N~2~-(2,4-dinitrophenyl)-L-asparagine",NC(=O)C[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,NC(=O)C[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C10H10N4O7/c11-9(15)4-7(10(16)17)12-6-2-1-5(13(18)19)3-8(6)14(20)21/h1-3,7,12H,4H2,(H2,11,15)(H,16,17)",C10H10N4O7,,,,,,NILMEQUBTVNETI-ZETCQYMHSA-N,,,,,,,,,,,
100.038.630,242-510-8,18698-99-2,(2-cyanophenyl)acetic acid,(2-cyanophenyl)acetic acid,OC(=O)Cc1ccccc1C#N,OC(=O)Cc1ccccc1C#N,"InChI=1/C9H7NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12)",C9H7NO2,,,,,,QLHZKPQKYARBGT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.635,242-516-0,18704-67-1,4-chloro-2-(1H-pyrazol-3-yl)phenol,4-chloro-2-(1H-pyrazol-3-yl)phenol,Oc1ccc(Cl)cc1c2cc[nH]n2,Oc1ccc(Cl)cc1c2cc[nH]n2,"InChI=1/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)",C9H7ClN2O,,,,,,DMGLUMYOLOAXJY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.127,245-256-6,22832-87-7,Miconazole nitrate,"1-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate",O[N+](=O)[O-].Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1,O[N+](=O)[O-].Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1,"InChI=1/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)",C18H14Cl4N2O.HNO3,,,,,,MCCACAIVAXEFAL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.130,245-259-2,22834-83-9,DL-ornithine hydrochloride,ornithine hydrochloride,Cl.NCCCC(N)C(=O)O,Cl.NCCCC(N)C(=O)O,"InChI=1/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H",C5H12N2O2.xClH,,,,,,GGTYBZJRPHEQDG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.132,245-261-3,22839-47-0,Aspartame,methyl L-alpha-aspartylphenylalaninate,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,"InChI=1/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)",C14H18N2O5,,,,,,IAOZJIPTCAWIRG-QWRGUYRKSA-N,,,,,,,,,,,
100.041.133,245-262-9,22839-61-8,1-methyl N-L-ß-aspartyl-3-phenyl-L-alaninate,methyl L-beta-aspartylphenylalaninate,COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](N)C(=O)O,COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](N)C(=O)O,"InChI=1/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-12(17)8-10(15)13(18)19/h2-6,10-11H,7-8,15H2,1H3,(H,16,17)(H,18,19)",C14H18N2O5,,,,,,SHHIPKDJQYIJJF-QWRGUYRKSA-N,,,,,,,,,,,
100.041.153,245-284-9,22881-35-2,Famprofazone,"4-isopropyl-1-methyl-5-{[methyl(1-methyl-2-phenylethyl)amino]methyl}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CC(C)C1=C(CN(C)C(C)Cc2ccccc2)N(C)N(C1=O)c3ccccc3,CC(C)C1=C(CN(C)C(C)Cc2ccccc2)N(C)N(C1=O)c3ccccc3,"InChI=1/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3",C24H31N3O,,,,,,GNUXVOXXWGNPIV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.154,245-285-4,22882-36-6,Sodium 2-hydroxy-3-sulphonatopropyl oleate,sodium 2-hydroxy-3-(oleoyloxy)propane-1-sulfonate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)CS(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CS(=O)(=O)[O-],"InChI=1/C21H40O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28(24,25)26;/h9-10,20,22H,2-8,11-19H2,1H3,(H,24,25,26);/q;+1/p-1",C21H40O6S.Na,,,,,,JBTHOQONVKLRAF-KVVVOXFISA-M,,,,,,,,,,,
100.041.156,245-288-0,22882-91-3,"(E)-1-ethoxy-3,7-dimethylocta-2,6-diene","1-ethoxy-3,7-dimethylocta-2,6-diene",CCOC\\C=C(/C)\\CCC=C(C)C,CCOC\C=C(/C)\CCC=C(C)C,"InChI=1/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3",C12H22O,,,,,,LOUIMJFJROISMD-FMIVXFBMSA-N,,,,,,,,,,,
100.041.163,245-295-9,22886-34-6,Cytidylyl-(5'<U+2192>2')-uridine,-,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(CO)OC3N4C=CC(=O)NC4=O)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(CO)OC3N4C=CC(=O)NC4=O)C(O)C2O,"InChI=1/C18H24N5O13P/c19-9-1-3-22(17(29)20-9)15-13(28)11(26)8(35-15)6-33-37(31,32)36-14-12(27)7(5-24)34-16(14)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,32)(H2,19,20,29)(H,21,25,30)",C18H24N5O13P,,,,,,LMZJQZFJJNJBSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.757,227-232-7,5728-20-1,"3,4-dichloro-1,2,5-thiadiazole","3,4-dichloro-1,2,5-thiadiazole",Clc1nsnc1Cl,Clc1nsnc1Cl,InChI=1/C2Cl2N2S/c3-1-2(4)6-7-5-1,C2Cl2N2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18863,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.757,YNZQOVYRCBAMEU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.760,227-235-3,5730-96-1,"1-(2'-nitro[1,1'-biphenyl]-4-yl)ethan-1-one",1-(2'-nitrobiphenyl-4-yl)ethanone,CC(=O)c1ccc(cc1)c2ccccc2[N+](=O)[O-],CC(=O)c1ccc(cc1)c2ccccc2[N+](=O)[O-],"InChI=1/C14H11NO3/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15(17)18/h2-9H,1H3",C14H11NO3,,,,,,MTZQSMJVDMLVAV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.761,227-236-9,1/01/5731,"1-(4'-bromo[1,1'-biphenyl]-4-yl)ethan-1-one",1-(4'-bromobiphenyl-4-yl)ethanone,CC(=O)c1ccc(cc1)c2ccc(Br)cc2,CC(=O)c1ccc(cc1)c2ccc(Br)cc2,"InChI=1/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3",C14H11BrO,,,,,,UUVKNCRMWPNBNM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.762,227-237-4,5732-45-6,"1,3,2-dioxathiepane 2-oxide","1,3,2-dioxathiepane 2-oxide",O=S1OCCCCO1,O=S1OCCCCO1,InChI=1/C4H8O3S/c5-8-6-3-1-2-4-7-8/h1-4H2,C4H8O3S,,,,,,XJYDIOOQMIRSSY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.786,225-064-9,4/04/4638,[(o-allylphenoxy)methyl]oxirane,2-[(2-allylphenoxy)methyl]oxirane,C=CCc1ccccc1OCC2CO2,C=CCc1ccccc1OCC2CO2,"InChI=1/C12H14O2/c1-2-5-10-6-3-4-7-12(10)14-9-11-8-13-11/h2-4,6-7,11H,1,5,8-9H2",C12H14O2,,,,,,XENMLDGAMXHYMH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.788,225-067-5,4638-92-0,"(1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid",CC(=CC1[C@@H](C(=O)O)C1(C)C)C,CC(=CC1[C@@H](C(=O)O)C1(C)C)C,"InChI=1/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)",C10H16O2,,,,,,XLOPRKKSAJMMEW-MQWKRIRWSA-N,,,,,,,,,,,
100.022.789,225-068-0,4640-29-3,"2,5-dihydroxybenzonitrile","2,5-dihydroxybenzonitrile",Oc1ccc(O)c(c1)C#N,Oc1ccc(O)c(c1)C#N,"InChI=1/C7H5NO2/c8-4-5-3-6(9)1-2-7(5)10/h1-3,9-10H",C7H5NO2,,,,,,APGLXTXFTYAQKC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.796,225-075-9,4645-15-2,"1,1'-oxybis(cyclohexane)","1,1'-oxydicyclohexane",C1CCC(CC1)OC2CCCCC2,C1CCC(CC1)OC2CCCCC2,"InChI=1/C12H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2",C12H22O,,,,,,OCDXZFSOHJRGIL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.800,225-080-6,4650-79-7,Bis(tetrahydrofurfuryl) sebacate,bis(tetrahydrofuran-2-ylmethyl) sebacate,O=C(CCCCCCCCC(=O)OCC1CCCO1)OCC2CCCO2,O=C(CCCCCCCCC(=O)OCC1CCCO1)OCC2CCCO2,"InChI=1/C20H34O6/c21-19(25-15-17-9-7-13-23-17)11-5-3-1-2-4-6-12-20(22)26-16-18-10-8-14-24-18/h17-18H,1-16H2",C20H34O6,,,,,,RHWOXBBBVFKHAN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.803,225-083-2,4651-67-6,3-a-hydroxy-7-oxo-5-ß-cholan-24-oic acid,3-hydroxy-7-oxocholan-24-oic acid,CC(CCC(=O)O)C1CCC2C3C(CCC12C)C4(C)CCC(O)CC4CC3=O,CC(CCC(=O)O)C1CCC2C3C(CCC12C)C4(C)CCC(O)CC4CC3=O,"InChI=1/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)",C24H38O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5428,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.803,DXOCDBGWDZAYRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.806,225-086-9,4652-19-1,Ethylmethylthiophosphinic chloride,S-methyl ethylphosphonochloridothioate,CCP(=O)(Cl)SC,CCP(=O)(Cl)SC,"InChI=1/C3H8ClOPS/c1-3-6(4,5)7-2/h3H2,1-2H3",C3H8ClPS,,,,,,VYLAKOWRUSRGPD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.813,225-094-2,4655-34-9,Isopropyl methacrylate,isopropyl methacrylate,CC(C)OC(=O)C(=C)C,CC(C)OC(=O)C(=C)C,"InChI=1/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3",C7H12O2,,,,,,BOQSSGDQNWEFSX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.820,225-102-4,4659-45-4,"2,6-dichlorobenzoyl chloride","2,6-dichlorobenzoyl chloride",ClC(=O)c1c(Cl)cccc1Cl,ClC(=O)c1c(Cl)cccc1Cl,InChI=1/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,C7H3Cl3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12172,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.820,JBLIDPPHFGWTKU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.821,225-104-5,4659-47-6,"2,3,6-trichlorobenzaldehyde","2,3,6-trichlorobenzaldehyde",Clc1ccc(Cl)c(C=O)c1Cl,Clc1ccc(Cl)c(C=O)c1Cl,InChI=1/C7H3Cl3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H,C7H3Cl3O,,,,,,AURSMWWOMOVHBM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.824,225-107-1,4664-00-0,"Pyridine-2,3-dicarboximide","5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione",O=C1NC(=O)c2ncccc12,O=C1NC(=O)c2ncccc12,"InChI=1/C7H4N2O2/c10-6-4-2-1-3-8-5(4)7(11)9-6/h1-3H,(H,9,10,11)",C7H4N2O2,,,,,,ZRKGTINFVOLLNT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.727,229-399-1,9/04/6508,"Cyclohex-4-ene-1,2-dicarboxylic anhydride","6,6'-(oxydicarbonyl)biscyclohex-3-ene-1-carboxylic acid",OC(=O)C1CC=CCC1C(=O)OC(=O)C2CC=CCC2C(=O)O,OC(=O)C1CC=CCC1C(=O)OC(=O)C2CC=CCC2C(=O)O,"InChI=1/C16H18O7/c17-13(18)9-5-1-3-7-11(9)15(21)23-16(22)12-8-4-2-6-10(12)14(19)20/h1-4,9-12H,5-8H2,(H,17,18)(H,19,20)",C14H8N2O,,,,,,LHIUAXYKBWBSBL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.734,229-406-8,6517-34-6,Ethylmorpholinium bromide,2-ethylmorpholin-4-ium bromide,[Br-].CCC1C[NH2+]CCO1,[Br-].CCC1C[NH2+]CCO1,"InChI=1/C6H13NO.BrH/c1-2-6-5-7-3-4-8-6;/h6-7H,2-5H2,1H3;1H",C6H13NO.BrH,,,,,,OFEAHGCTJVJRJG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.278,231-106-7,7439-97-6,Mercury,mercury,[Hg],[Hg],InChI=1/Hg/q+2,Hg,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5169,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.278,QSHDDOUJBYECFT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.283,231-111-4,7440-02-0,Nickel,nickel(2+),[Ni],[Ni],InChI=1/Ni/q+2,Ni,Full,Joint,100000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15544,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.283,PXHVJJICTQNCMI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.028,227-531-2,5873-24-5,Disodium 7-(benzoylamino)-4-hydroxy-3-[[2-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-(benzoylamino)-4-hydroxy-3-({2-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5ccc(N=Nc3c(cc2cc(ccc2c3O)NC(=O)c4ccccc4)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5ccc(N=Nc3c(cc2cc(ccc2c3O)NC(=O)c4ccccc4)S([O-])(=O)=O)c(C)c5,"InChI=1/C30H23N5O8S2.2Na/c1-18-15-23(33-32-21-7-11-24(12-8-21)44(38,39)40)10-14-26(18)34-35-28-27(45(41,42)43)17-20-16-22(9-13-25(20)29(28)36)31-30(37)19-5-3-2-4-6-19;;/h2-17,36H,1H3,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C30H23N5O8S2.2Na,,,,,,IYMCOVNZPOGMGS-UHFFFAOYSA-L,,,,,,,,,,,
100.025.031,227-534-9,5873-54-1,o-(p-isocyanatobenzyl)phenyl isocyanate,1-isocyanato-2-(4-isocyanatobenzyl)benzene,O=C=Nc1ccc(Cc2ccccc2N=C=O)cc1,O=C=Nc1ccc(Cc2ccccc2N=C=O)cc1,"InChI=1/C15H10N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h1-8H,9H2",C15H10N2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13684,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.031,LFSYUSUFCBOHGU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.037,227-541-7,9/06/5875,Proxymetacaine hydrochloride,2-(diethylamino)ethyl 3-amino-4-propoxybenzoate hydrochloride,Cl.CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC,Cl.CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC,"InChI=1/C16H26N2O3.ClH/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H",C16H26N2O3.ClH,,,,,,BFUUJUGQJUTPAF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.039,227-543-8,5875-45-6,"2,5-di-tert-butylphenol","2,5-di-tert-butylphenol",CC(C)(C)c1ccc(c(O)c1)C(C)(C)C,CC(C)(C)c1ccc(c(O)c1)C(C)(C)C,"InChI=1/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3",C14H22O,,,,,,KDBZVULQVCUNNA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.044,227-549-0,5878-19-3,Methoxyacetone,1-methoxyacetone,COCC(=O)C,COCC(=O)C,"InChI=1/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3",C4H8O2,,,,,,CUZLJOLBIRPEFB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.046,227-551-1,5878-43-3,6-methylergoline-8ß-carboxylic acid,6-methylergoline-8-carboxylic acid,CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)O,CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)O,"InChI=1/C16H18N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-4,7,10,12,14,17H,5-6,8H2,1H3,(H,19,20)",C16H18N2O2,,,,,,ORBSYPFBZQJNJE-MPKXVKKWSA-N,,,,,,,,,,,
100.025.051,227-556-9,5882-45-1,"N,N-diethylanilinium chloride","N,N-diethylanilinium chloride",[Cl-].CC[NH+](CC)c1ccccc1,[Cl-].CC[NH+](CC)c1ccccc1,"InChI=1/C10H15N.ClH/c1-3-11(4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3;1H",C10H15N.ClH,,,,,,PQCWTNQXCXUEAO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.052,227-557-4,5882-48-4,p-(dimethylamino)phenol hydrochloride,4-(dimethylamino)phenol hydrochloride,Cl.CN(C)c1ccc(O)cc1,Cl.CN(C)c1ccc(O)cc1,"InChI=1/C8H11NO.ClH/c1-9(2)7-3-5-8(10)6-4-7;/h3-6,10H,1-2H3;1H",C8H11NO.ClH,,,,,,FGBQWWREKHAJIX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.064,227-571-0,5892-41-1,Isopentyl a-(2-diethylaminoethylamino)phenylacetate dihydrochloride,3-methylbutyl {[2-(diethylamino)ethyl]amino}(phenyl)acetate dihydrochloride,Cl.Cl.CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1,Cl.Cl.CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1,"InChI=1/C19H32N2O2.2ClH/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;2*1H",C19H32N2O2.2ClH,,,,,,ZHRVNCCPAKIGRH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.067,227-574-7,7/10/5893,N-formyl-DL-alanine,N-formyl-L-alanine,OC(=O)[C@H](C)NC=O,OC(=O)[C@H](C)NC=O,"InChI=1/C4H7NO3/c1-3(4(7)8)5-2-6/h2-3H,1H3,(H,5,6)(H,7,8)",C4H7NO3,,,,,,SRBATDDRZARFDZ-VKHMYHEASA-N,,,,,,,,,,,
100.025.072,227-579-4,5895-46-5,Dineodymium tricarbonate,dineodymium tricarbonate,[Nd+3].[Nd+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Nd+3].[Nd+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Nd/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Nd,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2118,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.072,UTWHRPIUNFLOBE-UHFFFAOYSA-H,,,,,,,,,,,
100.024.666,227-132-3,5675-25-2,"Octa-1,4-diene","octa-1,4-diene",CCCC=CCC=C,CCCC=CCC=C,"InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3,7-8H,1,4-6H2,2H3",C8H14,,,,,,HYBLFDUGSBOMPI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.667,227-133-9,5675-51-4,"Dodecane-1,12-diol","dodecane-1,12-diol",OCCCCCCCCCCCCO,OCCCCCCCCCCCCO,"InChI=1/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2",C12H26O2,,,,,,GHLKSLMMWAKNBM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.670,227-137-0,5676-64-2,(Z)-p-methoxycinnamic acid,3-(4-methoxyphenyl)acrylic acid,COc1ccc(\\C=C/C(=O)O)cc1,COc1ccc(\C=C/C(=O)O)cc1,"InChI=1/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O3,,,,,,AFDXODALSZRGIH-DAXSKMNVSA-N,,,,,,,,,,,
100.024.673,227-140-7,5680-80-8,Methyl L-serinate hydrochloride,methyl L-serinate hydrochloride,Cl.COC(=O)[C@@H](N)CO,Cl.COC(=O)[C@@H](N)CO,"InChI=1/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H",C4H9NO3.ClH,,,,,,NDBQJIBNNUJNHA-DFWYDOINSA-N,,,,,,,,,,,
100.030.091,233-114-6,10036-47-2,Dinitrogen tetrafluoride,tetrafluorohydrazine,FN(F)N(F)F,FN(F)N(F)F,InChI=1/F4N2/c1-5(2)6(3)4,F4N2,,,,,,GFADZIUESKAXAK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.093,233-116-7,10038-98-9,Germanium tetrachloride,germanium(4+) tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Ge+4],[Cl-].[Cl-].[Cl-].[Cl-].[Ge+4],InChI=1/4ClH.Ge/h4*1H;/q;;;;+4/p-4,Cl4Ge,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11524,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.093,FFARMWUPSQHFHM-UHFFFAOYSA-J,,,,,,,,,,,
100.030.102,233-126-1,10042-59-8,2-propylheptan-1-ol,2-propylheptan-1-ol,CCCCCC(CO)CCC,CCCCCC(CO)CCC,"InChI=1/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3",C10H22O,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13788,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.102,YLQLIQIAXYRMDL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.117,233-142-9,10043-83-1,"Phosphoric acid, magnesium salt",magnesium hydrogen phosphate,[Mg+2].OP(=O)([O-])[O-],[Mg+2].OP(=O)([O-])[O-],"InChI=1/Mg.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2",H3O4P.xMg,,,,,,MHJAJDCZWVHCPF-UHFFFAOYSA-L,,,,,,,,,,,
100.030.118,233-143-4,10043-84-2,Manganese bis(phosphinate),manganese(2+) bis(phosphinate),[Mn+2].[O-]P=O.[O-]P=O,[Mn+2].[O-]P=O.[O-]P=O,"InChI=1/Mn.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",H3O2P.1/2Mn,,,,,,FLFJVPPJGJSHMF-UHFFFAOYSA-L,,,,,,,,,,,
100.024.754,227-229-0,5724-56-1,"2,3-dimethylbenzonitrile","2,3-dimethylbenzonitrile",Cc1cccc(C#N)c1C,Cc1cccc(C#N)c1C,"InChI=1/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3",C9H9N,,,,,,ZEDPQIJYJCPIRM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.784,225-062-8,4636-83-3,Morfamquat dichloride,"1,1'-bis[2-(3,5-dimethylmorpholin-4-yl)-2-oxoethyl]-4,4'-bipyridinium dichloride",[Cl-].[Cl-].CC1COCC(C)N1C(=O)C[n+]2ccc(cc2)c3cc[n+](CC(=O)N4C(C)COCC4C)cc3,[Cl-].[Cl-].CC1COCC(C)N1C(=O)C[n+]2ccc(cc2)c3cc[n+](CC(=O)N4C(C)COCC4C)cc3,"InChI=1/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18H2,1-4H3;2*1H/q+2;;/p-2",C26H36N4O4.2Cl,,,,,,LVPGGWVHPIAEMC-UHFFFAOYSA-L,,,,,,,,,,,
100.022.785,225-063-3,4637-24-5,"1,1-dimethoxytrimethylamine","1,1-dimethoxy-N,N-dimethylmethanamine",COC(OC)N(C)C,COC(OC)N(C)C,"InChI=1/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3",C5H13NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11035,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.785,ZSXGLVDWWRXATF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.801,225-081-1,4650-83-3,Tetrahydrofurfuryl hydrogen sebacate,10-oxo-10-(tetrahydrofuran-2-ylmethoxy)decanoic acid,OC(=O)CCCCCCCCC(=O)OCC1CCCO1,OC(=O)CCCCCCCCC(=O)OCC1CCCO1,"InChI=1/C15H26O5/c16-14(17)9-5-3-1-2-4-6-10-15(18)20-12-13-8-7-11-19-13/h13H,1-12H2,(H,16,17)",C15H26O5,,,,,,XRVATIVUESFWDO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.812,225-093-7,4654-39-1,p-bromophenethyl alcohol,2-(4-bromophenyl)ethanol,OCCc1ccc(Br)cc1,OCCc1ccc(Br)cc1,"InChI=1/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2",C8H9BrO,,,,,,PMOSJSPFNDUAFY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.823,225-106-6,4662-17-3,Furidarone,"(2,5-dimethyl-3-furyl)(4-hydroxy-3,5-diiodophenyl)methanone",Cc1oc(C)c(c1)C(=O)c2cc(I)c(O)c(I)c2,Cc1oc(C)c(c1)C(=O)c2cc(I)c(O)c(I)c2,"InChI=1/C13H10I2O3/c1-6-3-9(7(2)18-6)12(16)8-4-10(14)13(17)11(15)5-8/h3-5,17H,1-2H3",C13H10I2O3,,,,,,JCKOFFJWBOVAAV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.825,225-108-7,4664-16-8,6-hydroxy-4-methyl-2-pyridone,6-hydroxy-4-methylpyridin-2(1H)-one,CC1=CC(=O)NC(=C1)O,CC1=CC(=O)NC(=C1)O,"InChI=1/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2-3H,1H3,(H2,7,8,9)",C6H7NO2,,,,,,JJHVYGVVMBYCMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.827,225-110-8,7/04/4665,Fenacetinol,N-(4-ethoxy-2-hydroxyphenyl)acetamide,CCOc1ccc(NC(=O)C)c(O)c1,CCOc1ccc(NC(=O)C)c(O)c1,"InChI=1/C10H13NO3/c1-3-14-8-4-5-9(10(13)6-8)11-7(2)12/h4-6,13H,3H2,1-2H3,(H,11,12)",C10H13NO3,,,,,,CFLMLQJYYALAPD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.832,225-116-0,4669-59-4,Bis(diethylamino)dimethylsilane,"N,N,N',N'-tetraethyl-1,1-dimethylsilanediamine",CCN(CC)[Si](C)(C)N(CC)CC,CCN(CC)[Si](C)(C)N(CC)CC,"InChI=1/C10H26N2Si/c1-7-11(8-2)13(5,6)12(9-3)10-4/h7-10H2,1-6H3",C10H26N2Si,,,,,,XIFOKLGEKUNZTI-UHFFFAOYSA-N,,,,,,,,,,,
100.026.741,229-414-1,6525-53-7,Dimethyl glutamate,dimethyl glutamate,COC(=O)CCC(N)C(=O)OC,COC(=O)CCC(N)C(=O)OC,"InChI=1/C7H13NO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4,8H2,1-2H3",C7H13NO4,,,,,,YEJSPQZHMWGIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.743,229-416-2,6527-54-4,"Disodium 5-[(2,5-dichloro-4-sulphonatophenyl)azo]salicylate","disodium 5-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].Clc2cc(c(Cl)cc2N=Nc1cc(C([O-])=O)c(O)cc1)S([O-])(=O)=O,[Na+].[Na+].Clc2cc(c(Cl)cc2N=Nc1cc(C([O-])=O)c(O)cc1)S([O-])(=O)=O,"InChI=1/C13H8Cl2N2O6S.2Na/c14-8-5-12(24(21,22)23)9(15)4-10(8)17-16-6-1-2-11(18)7(3-6)13(19)20;;/h1-5,18H,(H,19,20)(H,21,22,23);;/q;2*+1/p-2",C13H8Cl2N2O6S.2Na,,,,,,LJGATWRPRZTBOX-UHFFFAOYSA-L,,,,,,,,,,,
100.028.375,231-212-3,7447-41-8,Lithium chloride,lithium chloride,[Li+].[Cl-],[Li+].[Cl-],InChI=1/ClH.Li/h1H;/q;+1/p-1,ClLi,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5223,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.375,KWGKDLIKAYFUFQ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.377,231-214-4,8/03/7449,"3-(2-amino-4,5,6,8-tetrahydro-4,6-dioxopteridin-7(3H)-ylidene)-2-oxopropionic acid","3-(2-amino-4,6-dioxo-4,5,6,8-tetrahydropteridin-7(3H)-ylidene)-2-oxopropanoic acid",OC(=O)C(=O)C=C1NC=2/N=C(/N)NC(=O)C=2NC1=O,OC(=O)C(=O)C=C1NC=2/N=C(/N)NC(=O)C=2NC1=O,"InChI=1/C9H7N5O5/c10-9-13-5-4(7(17)14-9)12-6(16)2(11-5)1-3(15)8(18)19/h1H,(H,12,16)(H,18,19)(H4,10,11,13,14,17)",C9H7N5O5,,,,,,BNJFLPKUALUAFG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.165,245-298-5,22886-43-7,Cytidylyl-(5'<U+2192>2')-guanosine,-,NC1=Nc2c(ncn2C3OC(CO)C(O)C3OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=NC5=O)N)C(=O)N1,NC1=Nc2c(ncn2C3OC(CO)C(O)C3OP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=NC5=O)N)C(=O)N1,"InChI=1/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-28)37-17(13)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)",C19H25N8O12P,,,,,,UMZCUWSFHYADTH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.587,219-345-5,2420-97-5,Cadmium p-toluate,cadmium bis(4-methylbenzoate),[Cd+2].Cc1ccc(cc1)C(=O)[O-].Cc2ccc(cc2)C(=O)[O-],[Cd+2].Cc1ccc(cc1)C(=O)[O-].Cc2ccc(cc2)C(=O)[O-],"InChI=1/2C8H8O2.Cd/c2*1-6-2-4-7(5-3-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Cd,,,,,,DZGHNHGQBNTDOP-UHFFFAOYSA-L,,,,,,,,,,,
100.017.605,219-364-9,7/10/2425,"3,4-xylyl methylcarbamate","3,4-dimethylphenyl methylcarbamate",CNC(=O)Oc1ccc(C)c(C)c1,CNC(=O)Oc1ccc(C)c(C)c1,"InChI=1/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)",C10H13NO2,,,,,,WCJYTPVNMWIZCG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.608,219-368-0,2425-54-9,1-chlorotetradecane,1-chlorotetradecane,CCCCCCCCCCCCCCCl,CCCCCCCCCCCCCCCl,"InChI=1/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",C14H29Cl,,,,,,RNHWYOLIEJIAMV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.611,219-371-7,2425-79-8,"1,4-bis(2,3-epoxypropoxy)butane","2,2'-[butane-1,4-diylbis(oxymethylene)]dioxirane",C(CCOCC1CO1)COCC2CO2,C(CCOCC1CO1)COCC2CO2,"InChI=1/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2",C10H18O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16131,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.611,SHKUUQIDMUMQQK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.612,219-372-2,2425-85-6,1-(4-methyl-2-nitrophenylazo)-2-naphthol,1-[(4-methyl-2-nitrophenyl)diazenyl]-2-naphthol,[O-][N+](=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O,[O-][N+](=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3",C17H13N3O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14222,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.612,ZLFVRXUOSPRRKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.613,219-373-8,2425-95-8,"4,4'-(1,3,4-oxadiazole-2,5-diyl)dianiline","4,4'-(1,3,4-oxadiazole-2,5-diyl)dianiline",Nc1ccc(cc1)c2oc(nn2)c3ccc(N)cc3,Nc1ccc(cc1)c2oc(nn2)c3ccc(N)cc3,"InChI=1/C14H12N4O/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H,15-16H2",C14H12N4O,,,,,,MJZXFMSIHMJQBW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.615,219-375-9,5/07/2426,"1,2:7,8-diepoxyoctane","2,2'-butane-1,4-diyldioxirane",C(CCC1CO1)CC2CO2,C(CCC1CO1)CC2CO2,"InChI=1/C8H14O2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2",C8H14O2,,,,,,LFKLPJRVSHJZPL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.617,219-378-5,2426-54-2,2-(diethylamino)ethyl acrylate,2-(diethylamino)ethyl acrylate,CCN(CC)CCOC(=O)C=C,CCN(CC)CCOC(=O)C=C,"InChI=1/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3",C9H17NO2,,,,,,QHVBLSNVXDSMEB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.623,219-384-8,2429-73-4,"Trisodium 5-amino-3-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-amino-3-({4'-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)c3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)c3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C32H24N6O11S3.3Na/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40;;;/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C32H24N6O11S3.3Na,,,,,,FKVXIGHJGBQFIH-UHFFFAOYSA-K,,,,,,,,,,,
100.019.126,221-038-6,2980-74-7,"2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl [R-(R*,R*)]-aminoacetate",2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl glycinate,NCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,NCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C13H15Cl2N3O6/c14-12(15)13(21)17-9(6-24-10(19)5-16)11(20)7-1-3-8(4-2-7)18(22)23/h1-4,9,11-12,20H,5-6,16H2,(H,17,21)",C13H15Cl2N3O6,,,,,,OQIFRQVYHYGHRI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.135,221-048-0,2984-55-6,2-hydroxydodecanoic acid,2-hydroxydodecanoic acid,CCCCCCCCCCC(O)C(=O)O,CCCCCCCCCCC(O)C(=O)O,"InChI=1/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)",C12H24O3,,,,,,YDZIJQXINJLRLL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.635,223-797-9,4077-47-8,"4-methoxy-2,5-dimethylfuran-3(2H)-one","4-methoxy-2,5-dimethylfuran-3(2H)-one",COC1=C(C)OC(C)C1=O,COC1=C(C)OC(C)C1=O,"InChI=1/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3",C7H10O3,,,,,,SIMKGHMLPVDSJE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.637,223-800-3,4078-24-4,Methyl ß-methylaziridine-1-propionate,methyl 3-aziridin-1-ylbutanoate,COC(=O)CC(C)N1CC1,COC(=O)CC(C)N1CC1,"InChI=1/C7H13NO2/c1-6(8-3-4-8)5-7(9)10-2/h6H,3-5H2,1-2H3",C7H13NO2,,,,,,MHUKXKGWSSWCHA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.738,229-411-5,6522-67-4,"2-methoxyethyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-ß-alaninate","2-methoxyethyl N-{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}-beta-alaninate",Brc2cc(cc(c2N=Nc1cc(OC)c(NCCC(=O)OCCOC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(NCCC(=O)OCCOC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H23BrN6O9/c1-12(29)24-15-10-17(23-5-4-20(30)37-7-6-35-2)19(36-3)11-16(15)25-26-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11,23H,4-7H2,1-3H3,(H,24,29)",C21H23BrN6O9,,,,,,ASPNMPVSOMVHRA-UHFFFAOYSA-N,,,,,,,,,,,
100.026.740,229-413-6,6522-86-7,"5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid","5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n4,Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n4,"InChI=1/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)",C19H12Cl2N6O7S2,,,,,,ZJUUTHDAOGJGDU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.742,229-415-7,6526-72-3,o-nitrocumene,1-isopropyl-2-nitrobenzene,CC(C)c1ccccc1[N+](=O)[O-],CC(C)c1ccccc1[N+](=O)[O-],"InChI=1/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3",C9H11NO2,,,,,,BSMKYQUHXQAVKG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.747,229-420-4,6528-35-4,"2,2'-[(2,2'-dichloro-5,5'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide]","2,2'-[(2,2'-dichloro-5,5'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]",Clc4cc(N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c(cc4c3cc(OC)c(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2C)cc3Cl)OC,Clc4cc(N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c(cc4c3cc(OC)c(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2C)cc3Cl)OC,"InChI=1/C38H38Cl2N6O6/c1-19-9-11-29(21(3)13-19)41-37(49)35(23(5)47)45-43-31-17-27(39)25(15-33(31)51-7)26-16-34(52-8)32(18-28(26)40)44-46-36(24(6)48)38(50)42-30-12-10-20(2)14-22(30)4/h9-18,35-36H,1-8H3,(H,41,49)(H,42,50)",C38H38Cl2N6O6,,,,,,KRPQDDJZFZZVMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.749,229-423-0,6528-53-6,"Pyrene-1,3,6,8-tetrasulphonic acid","pyrene-1,3,6,8-tetrasulfonic acid",OS(=O)(=O)c1cc(c2ccc3c(cc(c4ccc1c2c34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,OS(=O)(=O)c1cc(c2ccc3c(cc(c4ccc1c2c34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C16H10O12S4/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)",C16H10O12S4,,,,,,CZLSHVQVNDDHDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.378,231-216-5,7449-27-6,"N-ethyl-2,4,6-trinitroaniline","N-ethyl-2,4,6-trinitroaniline",CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N4O6/c1-2-9-8-6(11(15)16)3-5(10(13)14)4-7(8)12(17)18/h3-4,9H,2H2,1H3",C8H8N4O6,,,,,,JRLUWLIIVKSPPT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.385,231-223-3,7452-52-0,"5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(diethylamino)phenyl]methyl]-3-methylsalicylic acid","5-{(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)[2-chloro-4-(diethylamino)phenyl]methyl}-2-hydroxy-3-methylbenzoic acid",OC(=O)c1cc(cc(C)c1O)C(c2ccc(cc2Cl)N(CC)CC)=C/3/C=C(/C)C(=O)\\C(=C\\3)C(O)=O,OC(=O)c1cc(cc(C)c1O)C(c2ccc(cc2Cl)N(CC)CC)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O,"InChI=1/C27H26ClNO6/c1-5-29(6-2)18-7-8-19(22(28)13-18)23(16-9-14(3)24(30)20(11-16)26(32)33)17-10-15(4)25(31)21(12-17)27(34)35/h7-13,30H,5-6H2,1-4H3,(H,32,33)(H,34,35)",C27H26ClNO6,,,,,,NLLQYOGZDSLZQG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.387,231-225-4,7452-79-1,Ethyl 2-methylbutyrate,ethyl 2-methylbutanoate,CCOC(=O)C(C)CC,CCOC(=O)C(C)CC,"InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3",C7H14O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5861,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.387,HCRBXQFHJMCTLF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.390,231-229-6,7456-24-8,Dimetotiazine,"10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulfonamide",CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C,CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C,"InChI=1/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3",C19H25N3O2S2,,,,,,VWNWVCJGUMZDIU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.392,231-231-7,3/07/7458,"10,11-dihydro-5H-dibenz[b,f]azepin-5-amine","10,11-dihydro-5H-dibenzo[b,f]azepin-5-amine",NN1c2ccccc2CCc3ccccc13,NN1c2ccccc2CCc3ccccc13,"InChI=1/C14H14N2/c15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15H2",C14H14N2,,,,,,FCMWBRZJSTVEGU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.395,231-234-3,7459-41-8,Cerium(4+) stearate,cerium(4+) tetraoctadecanoate,[Ce+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Ce+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/4C18H36O2.Ce/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4",C18H36O2.1/4Ce,,,,,,LWOBPGZWSMGVDQ-UHFFFAOYSA-J,,,,,,,,,,,
100.025.142,227-656-2,5925-68-8,(S)-methyl thiobenzoate,S-methyl benzenecarbothioate,CSC(=O)c1ccccc1,CSC(=O)c1ccccc1,"InChI=1/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",C8H8OS,,,,,,RQVWTMCUTHKGCM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.158,227-674-0,5930-72-3,"O,O-dimethyl thiophosphonate","O,O-dimethyl phosphonothioate",COP(=S)OC,COP(=S)OC,"InChI=1/C2H7O2PS/c1-3-5(6)4-2/h5H,1-2H3",C2H7O2PS,,,,,,BHVWDFJQEHZKIY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.676,227-143-3,5682-46-2,2-ethylbutyrophenone,1-(2-ethylphenyl)butan-1-one,CCCC(=O)c1ccccc1CC,CCCC(=O)c1ccccc1CC,"InChI=1/C12H16O/c1-3-7-12(13)11-9-6-5-8-10(11)4-2/h5-6,8-9H,3-4,7H2,1-2H3",C12H16O,,,,,,VLAHAZODQDXBFB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.678,227-145-4,5683-30-7,3-(trimethylsilyl)propionic acid,3-(trimethylsilyl)propanoic acid,C[Si](C)(C)CCC(=O)O,C[Si](C)(C)CCC(=O)O,"InChI=1/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)",C6H14O2Si,,,,,,NONFLFDSOSZQHR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.680,227-148-0,5683-41-0,"2,5,6-trimethylbenzothiazole","2,5,6-trimethyl-1,3-benzothiazole",Cc1cc2nc(C)sc2cc1C,Cc1cc2nc(C)sc2cc1C,"InChI=1/C10H11NS/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3",C10H11NS,,,,,,ZZLZXZFVVOXVRG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.693,227-162-7,5693-97-0,2-phenylglyceric acid,"2,3-dihydroxy-2-phenylpropanoic acid",OCC(O)(C(=O)O)c1ccccc1,OCC(O)(C(=O)O)c1ccccc1,"InChI=1/C9H10O4/c10-6-9(13,8(11)12)7-4-2-1-3-5-7/h1-5,10,13H,6H2,(H,11,12)",C9H10O4,,,,,,IWEPXSFVSUOTLW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.702,227-172-1,5697-00-7,"Naphthalene-1,4-diyl diacetate","naphthalene-1,4-diyl diacetate",CC(=O)Oc1ccc(OC(=O)C)c2ccccc12,CC(=O)Oc1ccc(OC(=O)C)c2ccccc12,"InChI=1/C14H12O4/c1-9(15)17-13-7-8-14(18-10(2)16)12-6-4-3-5-11(12)13/h3-8H,1-2H3",C14H12O4,,,,,,SFAVMNCWIUOBCX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.712,227-183-1,5699-74-1,2-hydroxy-2-propylvaleronitrile,2-hydroxy-2-propylpentanenitrile,CCCC(O)(CCC)C#N,CCCC(O)(CCC)C#N,"InChI=1/C8H15NO/c1-3-5-8(10,7-9)6-4-2/h10H,3-6H2,1-2H3",C8H15NO,,,,,,YYZBOCPIORDHRR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.744,231-618-0,7653-28-3,Tributyl(palmitoyloxy)stannane,tributyl(palmitoyloxy)stannane,CCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C16H32O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3*1-3-4-2;/h2-15H2,1H3,(H,17,18);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC28H58O2Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28(29)30-31(25-10-6-2,26-11-7-3)27-12-8-4/h5-27H2,1-4H3",C28H58O2Sn,,,,,,KUVKUXSSFIAKKS-UHFFFAOYSA-M,,,,,,,,,,,
100.028.747,231-621-7,9/03/7658,"2-ethyl-2-(methoxymethyl)propane-1,3-diol","2-ethyl-2-(methoxymethyl)propane-1,3-diol",CCC(CO)(CO)COC,CCC(CO)(CO)COC,"InChI=1/C7H16O3/c1-3-7(4-8,5-9)6-10-2/h8-9H,3-6H2,1-2H3",C7H16O3,,,,,,NSNOJFKJIAUDLP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.748,231-622-2,4/08/7658,6-deoxy-D-glucose,6-deoxy-D-glucose,C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3",C6H12O5,,,,,,PNNNRSAQSRJVSB-JGWLITMVSA-N,,,,,,,,,,,
100.028.286,231-115-6,3/05/7440,Palladium,palladium(2+),[Pd],[Pd],InChI=1/Pd/q+2,Pd,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18747,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.286,KDLHZDBZIXYQEI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.292,231-121-9,2/12/7440,Promethium,promethium,[Pm],[Pm],InChI=1/Pm/q+3,Pm,,,,,,VQMWBBYLQSCNPO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.295,231-125-0,7440-16-6,Rhodium,rhodium(2+),[Rh],[Rh],InChI=1/Rh/q+2,Rh,,,,,,MHOVAHRLVXNVSD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.296,231-126-6,7440-17-7,Rubidium,rubidium,[RbH],[RbH],InChI=1/Rb.H/q+1;/rHRb/h1H/q+1,Rb,,,,,,UCYFRLNGKNNHBD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.303,231-133-4,7440-24-6,Strontium,strontium,[SrH2],[SrH2],InChI=1/Sr.2H/q+2;;/rH2Sr/h1H2/q+2,Sr,,,,,,KJNGJIPPQOFCSK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.307,231-138-1,7440-28-0,Thallium,thallium(1+),[Tl],[Tl],InChI=1/Tl/q+1,Tl,,,,,,BKVIYDNLLOSFOA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.308,231-139-7,7440-29-1,Thorium,thorium(2+),[Th],[Th],InChI=1/Th/q+2,Th,,,,,,ZSLUVFAKFWKJRC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.309,231-140-2,7440-30-4,Thulium,thulium,[Tm],[Tm],InChI=1/Tm/q+3,Tm,,,,,,FRNOGLGSGLTDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.311,231-142-3,7440-32-6,Titanium,titanium(2+),[Ti],[Ti],InChI=1/Ti/q+2,Ti,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15537,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.311,RTAQQCXQSZGOHL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.319,231-151-2,7440-42-8,Boron,borane,B,B,InChI=1/BH3/h1H3,B,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14776,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.319,UORVGPXVDQYIDP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.324,231-157-5,7440-47-3,Chromium,chromium(2+),[Cr],[Cr],InChI=1/Cr/q+2,Cr,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15551,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.324,VYZAMTAEIAYCRO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.326,231-159-6,7440-50-8,Copper,copper(1+),[Cu],[Cu],InChI=1/Cu/q+1,Cu,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15562,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.326,RYGMFSIKBFXOCR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.330,231-163-8,7440-55-3,Gallium,gallium,[Ga],[Ga],InChI=1/Ga/q+3,Ga,,,,,,GYHNNYVSQQEPJS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.332,231-165-9,7440-57-5,Gold,gold(1+),[Au],[Au],InChI=1/Au/q+1,Au,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17082,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.332,PCHJSUWPFVWCPO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.333,231-166-4,7440-58-6,Hafnium,hydrogen fluoride,[Hf],[Hf],InChI=1/FH/h1H,Hf,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11969,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.333,VBJZVLUMGGDVMO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.379,231-217-0,7449-74-3,N-methyl-N-(trimethylsilyl)acetamide,N-methyl-N-(trimethylsilyl)acetamide,CN(C(=O)C)[Si](C)(C)C,CN(C(=O)C)[Si](C)(C)C,"InChI=1/C6H15NOSi/c1-6(8)7(2)9(3,4)5/h1-5H3",C6H15NOSi,,,,,,QHUOBLDKFGCVCG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.380,231-218-6,7450-69-3,Phenyl diamidophosphate,phenyl diamidophosphate,NP(=O)(N)Oc1ccccc1,NP(=O)(N)Oc1ccccc1,"InChI=1/C6H9N2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9)",C6H9N2O2P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18063,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.380,AYRRNFHDJUXLEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.382,231-220-7,6/01/7451,"2-(2-chloroethyl)-4-methyl-1,3-dioxolane","2-(2-chloroethyl)-4-methyl-1,3-dioxolane",CC1COC(CCCl)O1,CC1COC(CCCl)O1,"InChI=1/C6H11ClO2/c1-5-4-8-6(9-5)2-3-7/h5-6H,2-4H2,1H3",C6H11ClO2,,,,,,LMKBJXAPLYHFGC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.384,231-222-8,7452-51-9,"5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-3-methylsalicylic acid","5-{(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)[4-(diethylamino)phenyl]methyl}-2-hydroxy-3-methylbenzoic acid",CCN(CC)c1ccc(cc1)C(c2cc(C)c(O)c(c2)C(O)=O)=C/3/C=C(/C)C(=O)\\C(=C\\3)C(O)=O,CCN(CC)c1ccc(cc1)C(c2cc(C)c(O)c(c2)C(O)=O)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O,"InChI=1/C27H27NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,29H,5-6H2,1-4H3,(H,31,32)(H,33,34)",C27H27NO6,,,,,,MHXLUBGHVIPIGK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.389,231-228-0,7455-18-7,2-acetyl-10-[2-(dimethylammonio)propyl]-10H-phenothiazinium maleate,2-acetyl-10-[2-(dimethylammonio)propyl]-10H-phenothiazin-10-ium but-2-enedioate,CC(C[NH+]1c2ccccc2Sc3ccc(cc13)C(=O)C)[NH+](C)C.[O-]C(=O)\\C=C/C(=O)[O-],CC(C[NH+]1c2ccccc2Sc3ccc(cc13)C(=O)C)[NH+](C)C.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C19H22N2OS.C4H4O4/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,13H,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)",C19H22N2OS.C4H4O4,,,,,,BACHEZCVYSHWLT-BTJKTKAUSA-N,,,,,,,,,,,
100.028.394,231-233-8,7459-33-8,"(9Z,12Z)-octadeca-9,12-dienoyl chloride","octadeca-9,12-dienoyl chloride",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)Cl,CCCCC\C=C/C\C=C/CCCCCCCC(=O)Cl,"InChI=1/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3",C18H31ClO,,,,,,FBWMYSQUTZRHAT-HZJYTTRNSA-N,,,,,,,,,,,
100.025.143,227-657-8,5925-82-6,1-chloro-4-[(methylthio)methyl]benzene,1-chloro-4-[(methylsulfanyl)methyl]benzene,CSCc1ccc(Cl)cc1,CSCc1ccc(Cl)cc1,"InChI=1/C8H9ClS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3",C8H9ClS,,,,,,IXJYIAHRRUZCOB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.144,227-658-3,5926-38-5,Dichloromethyltrimethylsilane,(dichloromethyl)(trimethyl)silane,C[Si](C)(C)C(Cl)Cl,C[Si](C)(C)C(Cl)Cl,"InChI=1/C4H10Cl2Si/c1-7(2,3)4(5)6/h4H,1-3H3",C4H10Cl2Si,,,,,,XJTUNBKAWATELL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.145,227-659-9,5926-51-2,Bromomaleic anhydride,4-bromo-4-oxobut-2-enoic anhydride,BrC(=O)\\C=C/C(=O)OC(=O)\\C=C/C(Br)=O,BrC(=O)\C=C/C(=O)OC(=O)\C=C/C(Br)=O,InChI=1/C8H4Br2O5/c9-5(11)1-3-7(13)15-8(14)4-2-6(10)12/h1-4H,C4HBrO3,,,,,,PQLDJNDWIIZEME-CCAGOZQPSA-N,,,,,,,,,,,
100.025.153,227-668-8,5929-62-4,"9,10-bis(acetoxy)octadecanoic acid","9,10-diacetoxyoctadecanoic acid",CCCCCCCCC(OC(=O)C)C(CCCCCCCC(=O)O)OC(=O)C,CCCCCCCCC(OC(=O)C)C(CCCCCCCC(=O)O)OC(=O)C,"InChI=1/C22H40O6/c1-4-5-6-7-9-12-15-20(27-18(2)23)21(28-19(3)24)16-13-10-8-11-14-17-22(25)26/h20-21H,4-17H2,1-3H3,(H,25,26)",C22H40O6,,,,,,LARFWTRXFFKXOV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.155,227-670-9,5929-72-6,"2,7-dimethylocta-3,5-diyne-2,7-diol","2,7-dimethylocta-3,5-diyne-2,7-diol",CC(C)(O)C#CC#CC(C)(C)O,CC(C)(O)C#CC#CC(C)(C)O,"InChI=1/C10H14O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,1-4H3",C10H14O2,,,,,,CKVWIEREOYIKNC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.159,227-675-6,5931-53-3,Diphenyl-o-tolylphosphine,(2-methylphenyl)(diphenyl)phosphine,Cc1ccccc1P(c2ccccc2)c3ccccc3,Cc1ccccc1P(c2ccccc2)c3ccccc3,"InChI=1/C19H17P/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15H,1H3",C19H17P,,,,,,MLBZLJCMHFCTQM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.160,227-676-1,5931-89-5,Cobalt acetate,cobalt(2+) diacetate,[Co+2].CC(=O)[O-].CC(=O)[O-],[Co+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.xCo,,,,,,QAHREYKOYSIQPH-UHFFFAOYSA-L,,,,,,,,,,,
100.025.163,227-679-8,5932-79-6,Nonan-4-ol,nonan-4-ol,CCCCCC(O)CCC,CCCCCC(O)CCC,"InChI=1/C9H20O/c1-3-5-6-8-9(10)7-4-2/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,IXUOEGRSQCCEHB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.165,227-681-9,5933-32-4,4-bromobenzohydrazide,4-bromobenzohydrazide,NNC(=O)c1ccc(Br)cc1,NNC(=O)c1ccc(Br)cc1,"InChI=1/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)",C7H7BrN2O,,,,,,UYIMBYKIIMYFPS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.169,227-686-6,5934-50-9,Hyoscyamine hydrochloride,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate hydrochloride,Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3,Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3,"InChI=1/C17H23NO3.ClH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H",C17H23NO3.ClH,,,,,,OJIPQOWZZMSBGY-PGQIENJJSA-N,,,,,,,,,,,
100.021.638,223-801-9,1/10/4079,"N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bisglycine S,S-dioxide","2,2'-{(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[methylene(6-hydroxy-5-methyl-3,1-phenylene)imino]}diacetic acid (non-preferred name)",Cc1cc(CC2(Cc3cc(C)c(O)c(NCC(=O)O)c3)OS(=O)(=O)c4ccccc24)cc(NCC(=O)O)c1O,Cc1cc(CC2(Cc3cc(C)c(O)c(NCC(=O)O)c3)OS(=O)(=O)c4ccccc24)cc(NCC(=O)O)c1O,"InChI=1/C27H28N2O9S/c1-15-7-17(9-20(25(15)34)28-13-23(30)31)11-27(19-5-3-4-6-22(19)39(36,37)38-27)12-18-8-16(2)26(35)21(10-18)29-14-24(32)33/h3-10,28-29,34-35H,11-14H2,1-2H3,(H,30,31)(H,32,33)",C27H28N2O9S,,,,,,XLKKIJLSRAOTHH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.640,223-804-5,4079-68-9,"N,N-diethyl-2-propynylamine","N,N-diethylprop-2-yn-1-amine",CCN(CC)CC#C,CCN(CC)CC#C,"InChI=1/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3",C7H13N,,,,,,JZJXKEWVUBVOEH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.647,223-811-3,4084-34-8,4-(dichloromethylsilyl)butyryl chloride,4-[(dichloromethyl)silyl]butanoyl chloride,ClC(Cl)[SiH2]CCCC(=O)Cl,ClC(Cl)[SiH2]CCCC(=O)Cl,"InChI=1/C5H9Cl3OSi/c6-4(9)2-1-3-10-5(7)8/h5H,1-3,10H2",C5H9Cl3OSi,,,,,,YNMDXKXYTGQMOE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.653,223-818-1,4086-73-1,1-octylpyridinium chloride,1-octylpyridinium chloride,[Cl-].CCCCCCCC[n+]1ccccc1,[Cl-].CCCCCCCC[n+]1ccccc1,"InChI=1/C13H22N.ClH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1",C13H22N.Cl,,,,,,OVIYAWWBKPWUOH-UHFFFAOYSA-M,,,,,,,,,,,
100.021.665,223-831-2,4090-55-5,"2-chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide","2-chloro-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide",CC1(C)COP(=O)(Cl)OC1,CC1(C)COP(=O)(Cl)OC1,"InChI=1/C5H10ClO3P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3",C5H10ClO3P,,,,,,VZMUCIBBVMLEKC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.673,223-840-1,4093-31-6,Methyl 4-acetamido-5-chloro-o-anisate,methyl 4-acetamido-5-chloro-2-methoxybenzoate,COC(=O)c1cc(Cl)c(NC(=O)C)cc1OC,COC(=O)c1cc(Cl)c(NC(=O)C)cc1OC,"InChI=1/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)",C11H12ClNO4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1404,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.673,OUEXNQRVYGYGIK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.678,223-845-9,4095-82-3,"5-amino-9,10-dihydro-9,10-dioxoanthracenesulphonic acid","5-amino-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid",Nc1cccc2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c12,Nc1cccc2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c12,"InChI=1/C14H9NO5S/c15-9-5-1-3-7-11(9)13(16)8-4-2-6-10(21(18,19)20)12(8)14(7)17/h1-6H,15H2,(H,18,19,20)",C14H9NO5S,,,,,,BEQOZTJJZZOVBR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.679,223-846-4,4095-85-6,"1,4-diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)O,Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)O,"InChI=1/C14H10N2O5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,15-16H2,(H,19,20,21)",C14H10N2O5S,,,,,,DZXNARMBWJFBGD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.648,242-530-7,18720-62-2,2-methylheptan-3-ol,2-methylheptan-3-ol,CCCCC(O)C(C)C,CCCCC(O)C(C)C,"InChI=1/C8H18O/c1-4-5-6-8(9)7(2)3/h7-9H,4-6H2,1-3H3",C8H18O,,,,,,QGVFLDUEHSIZIG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.655,242-538-0,18727-04-3,Cobalt(2+) hydrogen citrate,cobalt(2+) hydrogen citrate,[Co+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Co+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Co/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-3",C6H8O7.Co,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13651,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.655,FDTVUHQHHXTXLW-UHFFFAOYSA-K,,,,,,,,,,,
100.038.665,242-549-0,18740-59-5,Tribenzylchlorosilane,tribenzyl(chloro)silane,Cl[Si](Cc1ccccc1)(Cc2ccccc2)Cc3ccccc3,Cl[Si](Cc1ccccc1)(Cc2ccccc2)Cc3ccccc3,"InChI=1/C21H21ClSi/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2",C21H21ClSi,,,,,,UTXPCJHKADAFBB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.666,242-550-6,18741-24-7,"2,3-dihydro-3-phenyl-2-thioxoquinazolin-4(1H)-one","3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one",O=C1N(C(=S)Nc2ccccc12)c3ccccc3,O=C1N(C(=S)Nc2ccccc12)c3ccccc3,"InChI=1/C14H10N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)",C14H10N2OS,,,,,,CRGOYNYLYMPGKH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.668,242-552-7,18746-63-9,Diammonium hexachlororuthenate,diammonium hexachlororuthenate(2-),[NH4+].[NH4+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2H3N.Ru/h6*1H;2*1H3;/q;;;;;;;;+6/p-4/rCl6Ru.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/p+2",Cl6Ru.2H4N,,,,,,DHTSBQSPUBOKKI-UHFFFAOYSA-J,,,,,,,,,,,
100.038.670,242-554-8,18748-98-6,Trimethyl(octadecyloxy)silane,trimethyl(octadecyloxy)silane,CCCCCCCCCCCCCCCCCCO[Si](C)(C)C,CCCCCCCCCCCCCCCCCCO[Si](C)(C)C,"InChI=1/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2,3)4/h5-21H2,1-4H3",C21H46OSi,,,,,,GVPDNFYOFKBFEN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.671,242-555-3,18755-43-6,Dimethyl propylphosphonate,dimethyl propylphosphonate,CCCP(=O)(OC)OC,CCCP(=O)(OC)OC,"InChI=1/C5H13O3P/c1-4-5-9(6,7-2)8-3/h4-5H2,1-3H3",C5H13O3P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13875,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.671,YWDFOLFVOVCBIU-UHFFFAOYSA-N,,,,,,,,,,,
100.025.167,227-684-5,5934-14-5,4-[[4-[(4-aminophenyl)sulphonyl]phenyl]amino]-4-oxobutyric acid,4-({4-[(4-aminophenyl)sulfonyl]phenyl}amino)-4-oxobutanoic acid,Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2,Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2,"InChI=1/C16H16N2O5S/c17-11-1-5-13(6-2-11)24(22,23)14-7-3-12(4-8-14)18-15(19)9-10-16(20)21/h1-8H,9-10,17H2,(H,18,19)(H,20,21)",C16H16N2O5S,,,,,,QAJQUUOBVOKLOD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.175,227-692-9,5936-28-7,Hydrastine hydrochloride,"6,7-dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one hydrochloride",Cl.COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34,Cl.COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34,"InChI=1/C21H21NO6.ClH/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H",C21H21NO6.ClH,,,,,,URBFHJWLYXILMP-VOMIJIAVSA-N,,,,,,,,,,,
100.025.180,227-698-1,1/07/5941,"Sodium hydrogen 4-hydroxy-5-(salicylideneamino)naphthalene-2,7-disulphonate","hydrogen sodium 4-hydroxy-5-[(2-hydroxybenzylidene)amino]naphthalene-2,7-disulfonate",[H+].[Na+].Oc3ccccc3C=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O,[H+].[Na+].Oc3ccccc3C=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H13NO8S2.Na.H2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14;;/h1-9,19-20H,(H,21,22,23)(H,24,25,26);;1H/q;2*+1/p-2",C17H13NO8S2.Na,,,,,,VDMRMECRCLGIAD-UHFFFAOYSA-M,,,,,,,,,,,
100.025.182,227-700-0,5942-95-0,Carpipramine,"1'-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-1,4'-bipiperidine-4'-carboxamide",NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccccc24)CC1)N5CCCCC5,NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccccc24)CC1)N5CCCCC5,"InChI=1/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)",C28H38N4O,,,,,,NWPJLRSCSQHPJV-UHFFFAOYSA-N,,,,,,,,,,,
100.024.764,227-240-0,5732-81-0,"Hexahydro-6,6,6a-trimethyl-2H-cyclopenta[b]furan-2-one","6,6,6a-trimethylhexahydro-2H-cyclopenta[b]furan-2-one",CC1(C)CCC2CC(=O)OC12C,CC1(C)CCC2CC(=O)OC12C,"InChI=1/C10H16O2/c1-9(2)5-4-7-6-8(11)12-10(7,9)3/h7H,4-6H2,1-3H3",C10H16O2,,,,,,RZQMMUGEFLGWFB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.767,227-243-7,5734-62-3,"4-chloro-N,N,6-trimethylpyrimidin-2-amine","4-chloro-N,N,6-trimethylpyrimidin-2-amine",CN(C)c1nc(C)cc(Cl)n1,CN(C)c1nc(C)cc(Cl)n1,"InChI=1/C7H10ClN3/c1-5-4-6(8)10-7(9-5)11(2)3/h4H,1-3H3",C7H10ClN3,,,,,,JDYDIHVYOFAERC-UHFFFAOYSA-N,,,,,,,,,,,
100.024.769,227-245-8,5736-15-2,"Sodium hydrogen 2,2'-methylenebis[3,4,6-trichlorophenolate]","hydrogen sodium 2,2'-methylenebis(3,4,6-trichlorophenolate)",[Na+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,[Na+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,"InChI=1/C13H6Cl6O2.Na/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;/h2-3,20-21H,1H2;/q;+1/p-2",C13H6Cl6O2.Na,,,,,,JNAQOQQXXBMQKT-UHFFFAOYSA-L,,,,,,,,,,,
100.024.773,227-250-5,5736-91-4,p-(pentyloxy)benzaldehyde,4-(pentyloxy)benzaldehyde,CCCCCOc1ccc(C=O)cc1,CCCCCOc1ccc(C=O)cc1,"InChI=1/C12H16O2/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8,10H,2-4,9H2,1H3",C12H16O2,,,,,,YAPVGSXODFOBBR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.774,227-251-0,5736-94-7,p-(hexyloxy)benzaldehyde,4-(hexyloxy)benzaldehyde,CCCCCCOc1ccc(C=O)cc1,CCCCCCOc1ccc(C=O)cc1,"InChI=1/C13H18O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3",C13H18O2,,,,,,GWXUVWKBVROFDM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.778,227-255-2,4/07/5742,"2,2'-dichlorobenzidine dihydrochloride","2,2'-dichlorobiphenyl-4,4'-diamine dihydrochloride",Cl.Cl.Nc1ccc(c(Cl)c1)c2ccc(N)cc2Cl,Cl.Cl.Nc1ccc(c(Cl)c1)c2ccc(N)cc2Cl,"InChI=1/C12H10Cl2N2.2ClH/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14;;/h1-6H,15-16H2;2*1H",C12H10Cl2N2.2ClH,,,,,,MXGDOEMKIIIVRS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.780,227-257-3,5743-17-9,Caffeine benzoate,"1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione benzoate",CN1C(=O)N(C)c2ncn(C)c2C1=O.OC(=O)c3ccccc3,CN1C(=O)N(C)c2ncn(C)c2C1=O.OC(=O)c3ccccc3,"InChI=1/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)",C8H10N4O2.C7H6O2,,,,,,VXXKVQICUHMECR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.781,227-258-9,5743-18-0,Caffeine hydrobromide,"1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione hydrobromide",Br.CN1C(=O)N(C)c2ncn(C)c2C1=O,Br.CN1C(=O)N(C)c2ncn(C)c2C1=O,"InChI=1/C8H10N4O2.BrH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H",C8H10N4O2.BrH,,,,,,XXSSHQCOBPQFOL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.783,227-261-5,5743-27-1,Calcium diascorbate,"calcium bis[2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate] (non-preferred name)",OCC(O)C1OC(=O)C(=C1O[Ca]OC2=C(O)C(=O)OC2C(O)CO)O,OCC(O)C1OC(=O)C(=C1O[Ca]OC2=C(O)C(=O)OC2C(O)CO)O,"InChI=1/2C6H8O6.Ca/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2",C6H8O6.1/2Ca,,,,,,BLORRZQTHNGFTI-UHFFFAOYSA-L,,,,,,,,,,,
100.024.785,227-263-6,5743-33-9,Calcium dihydrogen ditartrate,"calcium dihydrogen bis(2,3-dihydroxysuccinate)",[Ca+2].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],[Ca+2].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/2C4H6O6.Ca/c2*5-1(3(7)8)2(6)4(9)10;/h2*1-2,5-6H,(H,7,8)(H,9,10);/q;;+2/p-4",C4H6O6.1/2Ca,,,,,,GLSXJWMRFIWYNO-UHFFFAOYSA-J,,,,,,,,,,,
100.028.341,231-175-3,7440-66-6,Zinc,zinc,[Zn],[Zn],InChI=1/Zn/q+2,Zn,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16146,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.341,HCHKCACWOHOZIP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.344,231-179-5,7440-70-2,Calcium,calcium,[CaH2],[CaH2],InChI=1/Ca.2H/q+2;;/rCaH2/h1H2/q+2,Ca,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15400,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.344,FAQLAUHZSGTTLN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.345,231-180-0,7440-74-6,Indium,indium,[In],[In],InChI=1/In/q+3,In,,,,,,APFVFJFRJDLVQX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.075,227-583-6,5895-49-8,Digadolinium tricarbonate,digadolinium tricarbonate,[Gd+3].[Gd+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Gd+3].[Gd+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Gd/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Gd,,,,,,RQXZRSYWGRRGCD-UHFFFAOYSA-H,,,,,,,,,,,
100.025.080,227-588-3,5896-54-8,Sodium pentadecane-1-sulphonate,sodium pentadecane-1-sulphonate,[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-],"InChI=1/5C10H22O3S.5Na/c5*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;;/h5*2-10H2,1H3,(H,11,12,13);;;;;/q;;;;;5*+1/p-5",C15H32O3S.Na,,,,,,CUNOPLKZZNVRBR-UHFFFAOYSA-I,,,,,,,,,,,
100.025.084,227-593-0,5900-58-3,Methyl 4-chloroanthranilate,methyl 2-amino-4-chlorobenzoate,COC(=O)c1ccc(Cl)cc1N,COC(=O)c1ccc(Cl)cc1N,"InChI=1/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3",C8H8ClNO2,,,,,,YPSSCICDVDOEAI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.089,227-598-8,5902-95-4,Calcium bis(methylarsonate),calcium bis(methylarsonate),[Ca+2].[Ca+2].C[As](=O)([O-])[O-].C[As](=O)([O-])[O-],[Ca+2].[Ca+2].C[As](=O)([O-])[O-].C[As](=O)([O-])[O-],"InChI=1/2CH5AsO3.2Ca/c2*1-2(3,4)5;;/h2*1H3,(H2,3,4,5);;/q;;2*+2/p-4",CH5AsO3.1/2Ca,,,,,,XAYPSFJRLOEIKS-UHFFFAOYSA-J,,,,,,,,,,,
100.025.090,227-599-3,5904-58-5,2-ethyl-2-(hydroxymethyl)butyric acid,2-ethyl-2-(hydroxymethyl)butanoic acid,CCC(CC)(CO)C(=O)O,CCC(CC)(CO)C(=O)O,"InChI=1/C7H14O3/c1-3-7(4-2,5-8)6(9)10/h8H,3-5H2,1-2H3,(H,9,10)",C7H14O3,,,,,,NGNICDYIWUGSEY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.098,227-608-0,5905-52-2,Iron dilactate,iron(2+) bis(2-hydroxypropanoate),[Fe+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Fe+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C3H6O3.1/2Fe,,,,,,DKKCQDROTDCQOR-UHFFFAOYSA-L,,,,,,,,,,,
100.025.099,227-609-6,5906-35-4,Perhydroazepin-1-ylamine,azepan-1-amine,NN1CCCCCC1,NN1CCCCCC1,InChI=1/C6H14N2/c7-8-5-3-1-2-4-6-8/h1-7H2,C6H14N2,,,,,,UGBKOURNNQREPE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.103,227-613-8,5908-78-1,Barium disalicylate,barium bis(2-hydroxybenzoate),[Ba+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Ba+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.Ba/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C7H6O3.1/2Ba,,,,,,FSVHTWITPYPMHK-UHFFFAOYSA-L,,,,,,,,,,,
100.025.110,227-621-1,5910-28-1,"1,4,5,8,9,10-hexahydroanthracene","1,4,5,8,9,10-hexahydroanthracene",C1C=CCC2=C1CC3=C(CC=CC3)C2,C1C=CCC2=C1CC3=C(CC=CC3)C2,"InChI=1/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-4H,5-10H2",C14H16,,,,,,LNRAWXJRDXDHJN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.114,227-625-3,5910-77-0,"N,N-ditridecyltridecan-1-amine","N,N-ditridecyltridecan-1-amine",CCCCCCCCCCCCCN(CCCCCCCCCCCCC)CCCCCCCCCCCCC,CCCCCCCCCCCCCN(CCCCCCCCCCCCC)CCCCCCCCCCCCC,"InChI=1/C39H81N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3",C39H81N,,,,,,GDSGXRQXKTWBOS-UHFFFAOYSA-N,,,,,,,,,,,
100.025.115,227-626-9,5910-79-2,Sodium heptadecyl sulphate,sodium heptadecyl sulfate,[Na+].CCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C17H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1",C17H36O4S.Na,,,,,,HHURSJAUVYNJBT-UHFFFAOYSA-M,,,,,,,,,,,
100.025.119,227-631-6,6/04/5911,3-methylnonane,3-methylnonane,CCCCCCC(C)CC,CCCCCCC(C)CC,"InChI=1/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3",C10H22,,,,,,PLZDDPSCZHRBOY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.120,227-632-1,5911-08-0,(chloromethyl)cyclopropane,(chloromethyl)cyclopropane,ClCC1CC1,ClCC1CC1,"InChI=1/C4H7Cl/c5-3-4-1-2-4/h4H,1-3H2",C4H7Cl,,,,,,ZVTQWXCKQTUVPY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.122,227-634-2,5913-13-3,(R)-a-cyclohexanemethylamine,1-cyclohexylethanamine,CC(N)C1CCCCC1,CC(N)C1CCCCC1,"InChI=1/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3",C8H17N,,,,,,XBWOPGDJMAJJDG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.123,227-635-8,5913-62-2,Cocaine nitrate,methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate nitrate,COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3.O[N+](=O)[O-],COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3.O[N+](=O)[O-],"InChI=1/C17H21NO4.HNO3/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-15H,8-10H2,1-2H3;(H,2,3,4)",C17H21NO4.HNO3,,,,,,WMKJGEFEFFCBPM-VZXSFKIWSA-N,,,,,,,,,,,
100.025.173,227-690-8,5935-65-9,(6R-trans)-3-(hydroxymethyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(hydroxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3cccs3)C2=O)C(=O)O,OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3cccs3)C2=O)C(=O)O,"InChI=1/C14H14N2O5S2/c17-5-7-6-23-13-10(12(19)16(13)11(7)14(20)21)15-9(18)4-8-2-1-3-22-8/h1-3,10,13,17H,4-6H2,(H,15,18)(H,20,21)",C14H14N2O5S2,,,,,,HTBAVMIGXROYPQ-GWCFXTLKSA-N,,,,,,,,,,,
100.025.176,227-693-4,5937-74-6,(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid hydrochloride,8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid hydrochloride,Cl.CN1C2CC[C@@H]1C(C=C2)C(=O)O,Cl.CN1C2CC[C@@H]1C(C=C2)C(=O)O,"InChI=1/C9H13NO2.ClH/c1-10-6-2-4-7(9(11)12)8(10)5-3-6;/h2,4,6-8H,3,5H2,1H3,(H,11,12);1H",C9H13NO2.ClH,,,,,,KZIXZQUAHHPICK-XJRLSETOSA-N,,,,,,,,,,,
100.025.183,227-701-6,4/04/5943,1-chloro-4-[(chloromethyl)sulphonyl]benzene,1-chloro-4-[(chloromethyl)sulfonyl]benzene,ClCS(=O)(=O)c1ccc(Cl)cc1,ClCS(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C7H6Cl2O2S/c8-5-12(10,11)7-3-1-6(9)2-4-7/h1-4H,5H2",C7H6Cl2O2S,,,,,,SAOGOJANGOKVRG-UHFFFAOYSA-N,,,,,,,,,,,
100.024.763,227-239-5,5732-47-8,Bis[2-(2-methoxyethoxy)ethyl]amine,2-(2-methoxyethoxy)-N-[2-(2-methoxyethoxy)ethyl]ethanamine,COCCOCCNCCOCCOC,COCCOCCNCCOCCOC,"InChI=1/C10H23NO4/c1-12-7-9-14-5-3-11-4-6-15-10-8-13-2/h11H,3-10H2,1-2H3",C10H23NO4,,,,,,FFCWGAORQXNZCL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.786,227-264-1,5743-34-0,"D-gluconic acid, cyclic 4,5-ester with boric acid, calcium salt (2:1)","calcium bis{2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoate}",OCC1OB(O)OC1C(O)C(O)C(=O)O[Ca]OC(=O)C(O)C(O)C2OB(O)OC2CO,OCC1OB(O)OC1C(O)C(O)C(=O)O[Ca]OC(=O)C(O)C(O)C2OB(O)OC2CO,"InChI=1/2C6H11BO8.Ca/c2*8-1-2-5(15-7(13)14-2)3(9)4(10)6(11)12;/h2*2-5,8-10,13H,1H2,(H,11,12);/q;;+2/p-2",C6H11BO8.1/2Ca,,,,,,SSKRIDIHZLFJCG-UHFFFAOYSA-L,,,,,,,,,,,
100.024.787,227-265-7,5743-36-2,Calcium dibutyrate,calcium dibutanoate,[Ca+2].CCCC(=O)[O-].CCCC(=O)[O-],[Ca+2].CCCC(=O)[O-].CCCC(=O)[O-],"InChI=1/2C4H8O2.Ca/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2",C4H8O2.1/2Ca,,,,,,FYPVXEILSNEKOO-UHFFFAOYSA-L,,,,,,,,,,,
100.024.788,227-266-2,5743-48-6,Calcium lactate,calcium bis(2-hydroxypropanoate),[Ca+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Ca+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C3H6O3.xCa,,,,,,MKJXYGKVIBWPFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.790,227-268-3,6/03/5744,Perhydrofluorene,dodecahydro-1H-fluorene,C1CCC2C(C1)CC3CCCCC23,C1CCC2C(C1)CC3CCCCC23,"InChI=1/C13H22/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-13H,1-9H2",C13H22,,,,,,OLWAZOBRCQWWDB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.797,227-276-7,5754-18-7,"4-methylpyridazine-3,6-diol","4-methylpyridazine-3,6-diol",Cc1cc(O)nnc1O,Cc1cc(O)nnc1O,"InChI=1/C5H6N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3,(H,6,8)(H,7,9)",C5H6N2O2,,,,,,QAVYOWFNXMHVEL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.799,227-278-8,5756-24-1,Dimethyl tetrasulphide,dimethyltetrasulfane,CSSSSC,CSSSSC,InChI=1/C2H6S4/c1-3-5-6-4-2/h1-2H3,C2H6S4,,,,,,NPNIZCVKXVRCHF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.800,227-279-3,5760-50-9,Methyl undec-9-enoate,methyl undec-9-enoate,COC(=O)CCCCCCCC=CC,COC(=O)CCCCCCCC=CC,"InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3",C12H22O2,,,,,,RHRCWCJKYPOGNT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.805,227-285-6,5763-44-0,"Tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione","tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione",O=C1NC(=O)C2CCCC12,O=C1NC(=O)C2CCCC12,"InChI=1/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)",C7H9NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7488,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.805,QCWDCTDYSDJKTP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.812,227-292-4,5767-84-0,Carboxymethyl stearate,(stearoyloxy)acetic acid,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)O,"InChI=1/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22/h2-18H2,1H3,(H,21,22)",C20H38O4,,,,,,HWLBIEAKJSRKOD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.842,225-127-0,4675-87-0,2-methyl-2-buten-1-ol,2-methylbut-2-en-1-ol,CC(=CC)CO,CC(=CC)CO,"InChI=1/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3",C5H10O,,,,,,NEJDKFPXHQRVMV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.847,225-132-8,4680-78-8,"Hydrogen (ethyl)[4-[a-[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, sodium salt","sodium 3-[(ethyl{4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene}ammonio)methyl]benzenesulfonate",[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5,[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5,"InChI=1/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1",C37H36N2O6S2.Na,,,,,,XKTMIJODWOEBKO-UHFFFAOYSA-M,,,,,,,,,,,
100.038.675,242-560-0,18765-38-3,Tetrakis(2-butoxyethyl) orthosilicate,tetrakis(2-butoxyethyl) orthosilicate,CCCCOCCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC,CCCCOCCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC,"InChI=1/C24H52O8Si/c1-5-9-13-25-17-21-29-33(30-22-18-26-14-10-6-2,31-23-19-27-15-11-7-3)32-24-20-28-16-12-8-4/h5-24H2,1-4H3",C24H52O8Si,,,,,,KWBZWRZCDGHBIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.685,242-571-0,18787-63-8,Hexadecan-2-one,hexadecan-2-one,CCCCCCCCCCCCCCC(=O)C,CCCCCCCCCCCCCCC(=O)C,"InChI=1/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3",C16H32O,,,,,,XCXKZBWAKKPFCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.686,242-572-6,18787-64-9,Hexadecan-3-one,hexadecan-3-one,CCCCCCCCCCCCCC(=O)CC,CCCCCCCCCCCCCC(=O)CC,"InChI=1/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3",C16H32O,,,,,,LTMXHUUHBSCKEK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.691,242-577-3,18791-75-8,4-bromothiophene-2-carbaldehyde,4-bromothiophene-2-carbaldehyde,Brc1csc(C=O)c1,Brc1csc(C=O)c1,InChI=1/C5H3BrOS/c6-4-1-5(2-7)8-3-4/h1-3H,C5H3BrOS,,,,,,PDONIKHDXYHTLS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.693,242-579-4,18794-77-9,2-hexylthiophene,2-hexylthiophene,CCCCCCc1cccs1,CCCCCCc1cccs1,"InChI=1/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3",C10H16S,,,,,,QZVHYFUVMQIGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.172,245-306-7,22890-11-5,N-[3-(dimethylamino)propyl]decan-1-amide,N-[3-(dimethylamino)propyl]decanamide,CCCCCCCCCC(=O)NCCCN(C)C,CCCCCCCCCC(=O)NCCCN(C)C,"InChI=1/C15H32N2O/c1-4-5-6-7-8-9-10-12-15(18)16-13-11-14-17(2)3/h4-14H2,1-3H3,(H,16,18)",C15H32N2O,,,,,,RJKMWJVKIHZOSU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.178,245-313-5,22902-93-8,[3-(trifluoromethyl)phenyl]acetamide,2-[3-(trifluoromethyl)phenyl]acetamide,NC(=O)Cc1cccc(c1)C(F)(F)F,NC(=O)Cc1cccc(c1)C(F)(F)F,"InChI=1/C9H8F3NO/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H2,13,14)",C9H8F3NO,,,,,,YXORDBZLZWAHBB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.185,245-320-3,22913-12-8,Isopropyl 3-nitro-p-toluate,isopropyl 4-methyl-3-nitrobenzoate,CC(C)OC(=O)c1ccc(C)c(c1)[N+](=O)[O-],CC(C)OC(=O)c1ccc(C)c(c1)[N+](=O)[O-],"InChI=1/C11H13NO4/c1-7(2)16-11(13)9-5-4-8(3)10(6-9)12(14)15/h4-7H,1-3H3",C11H13NO4,,,,,,RRJBUFUVPLLLJD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.189,245-325-0,22919-26-2,Disodium 7-hydroxy-4-methylcoumarinyl phosphate,disodium 7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl phosphate,[Na+].[Na+].CC1=C(OP(=O)([O-])[O-])C(=O)Oc2cc(O)ccc12,[Na+].[Na+].CC1=C(OP(=O)([O-])[O-])C(=O)Oc2cc(O)ccc12,"InChI=1/C10H9O7P.2Na/c1-5-7-3-2-6(11)4-8(7)16-10(12)9(5)17-18(13,14)15;;/h2-4,11H,1H3,(H2,13,14,15);;/q;2*+1/p-2",C10H9O6P.2Na,,,,,,GTZNHJXSOQCRJA-UHFFFAOYSA-L,,,,,,,,,,,
100.041.194,245-330-8,22922-82-3,Titanium(3+) propanolate,titanium(3+) tripropan-1-olate,[Ti+3].CCC[O-].CCC[O-].CCC[O-],[Ti+3].CCC[O-].CCC[O-].CCC[O-],"InChI=1/3C3H7O.Ti/c3*1-2-3-4;/h3*2-3H2,1H3;/q3*-1;+3",C3H8O.1/3Ti,,,,,,BDDFDYYYZGKVEP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.198,245-335-5,22930-85-4,4-[2-(ethylamino)-1-hydroxypropyl]pyrocatechol hydrochloride,"4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol hydrochloride",Cl.CCNC(C)C(O)c1ccc(O)c(O)c1,Cl.CCNC(C)C(O)c1ccc(O)c(O)c1,"InChI=1/C11H17NO3.ClH/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8;/h4-7,11-15H,3H2,1-2H3;1H",C11H17NO3.ClH,,,,,,FUJODHUUJJFEIR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.208,245-346-5,22948-06-7,4-(triphenylmethyl)aniline,4-tritylaniline,Nc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,Nc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2",C25H21N,,,,,,XYHDHXBLSLSXSR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.144,221-058-5,2987-68-0,"N,N'-(9,10-dihydro-9,10-dioxoanthracene-1,4-diyl)bisbenzamide","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)dibenzamide",O=C(Nc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13)c5ccccc5,O=C(Nc1ccc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13)c5ccccc5,"InChI=1/C28H18N2O4/c31-25-19-13-7-8-14-20(19)26(32)24-22(30-28(34)18-11-5-2-6-12-18)16-15-21(23(24)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)",C28H18N2O4,,,,,,SMYVNUCSIRQQNT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.146,221-060-6,2991-28-8,"2,5-difluorobenzoic acid","2,5-difluorobenzoic acid",OC(=O)c1cc(F)ccc1F,OC(=O)c1cc(F)ccc1F,"InChI=1/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)",C7H4F2O2,,,,,,LBQMIAVIGLLBGW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.150,221-064-8,2993-85-3,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl acrylate","2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl acrylate",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2",C10H6F12O2,,,,,,QJEJDNMGOWJONG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.156,221-071-6,1/04/2998,Diallyl adipate,diallyl adipate,C=CCOC(=O)CCCCC(=O)OCC=C,C=CCOC(=O)CCCCC(=O)OCC=C,"InChI=1/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2",C12H18O4,,,,,,FPODCVUTIPDRTE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.159,221-074-2,2998-23-4,Pentyl acrylate,pentyl acrylate,CCCCCOC(=O)C=C,CCCCCOC(=O)C=C,"InChI=1/C8H14O2/c1-3-5-6-7-10-8(9)4-2/h4H,2-3,5-7H2,1H3",C8H14O2,,,,,,ULDDEWDFUNBUCM-UHFFFAOYSA-N,,,,,,,,,,,
100.024.793,227-272-5,5746-95-2,"1,1'-(4-chloro-1-butenylidene)bisbenzene","1,1'-(4-chlorobut-1-ene-1,1-diyl)dibenzene",ClCCC=C(c1ccccc1)c2ccccc2,ClCCC=C(c1ccccc1)c2ccccc2,"InChI=1/C16H15Cl/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-12H,7,13H2",C16H15Cl,,,,,,XGOZGDXXUIRGTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.795,227-274-6,5751-20-2,2-(methylthio)-1H-pyrimidin-4-one,2-(methylsulfanyl)pyrimidin-4(1H)-one,CSC1=NC(=O)C=CN1,CSC1=NC(=O)C=CN1,"InChI=1/C5H6N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)",C5H6N2OS,,,,,,UYHSQVMHSFXUOA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.796,227-275-1,5751-80-4,Ethyl 3-thenoate,ethyl thiophene-3-carboxylate,CCOC(=O)c1ccsc1,CCOC(=O)c1ccsc1,"InChI=1/C7H8O2S/c1-2-9-7(8)6-3-4-10-5-6/h3-5H,2H2,1H3",C7H8O2S,,,,,,OYSLMAQEMAJMCL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.798,227-277-2,5754-35-8,"1,3-dioxolane-2-ethylamine","2-(1,3-dioxolan-2-yl)ethanamine",NCCC1OCCO1,NCCC1OCCO1,"InChI=1/C5H11NO2/c6-2-1-5-7-3-4-8-5/h5H,1-4,6H2",C5H11NO2,,,,,,JNAQYWWCTUEVKR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.803,227-283-5,5762-36-7,(R)-12-hydroxyoctadecanoic acid,12-hydroxyoctadecanoic acid,CCCCCC[C@@H](O)CCCCCCCCCCC(=O)O,CCCCCC[C@@H](O)CCCCCCCCCCC(=O)O,"InChI=1/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",C18H36O3,,,,,,ULQISTXYYBZJSJ-QGZVFWFLSA-N,,,,,,,,,,,
100.024.807,227-287-7,5763-61-1,"3,4-dimethoxybenzylamine","1-(3,4-dimethoxyphenyl)methanamine",COc1ccc(CN)cc1OC,COc1ccc(CN)cc1OC,"InChI=1/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3",C9H13NO2,,,,,,DIVNUTGTTIRPQA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.808,227-288-2,5764-85-2,Ethyl 3-hydroxy-3-phenylpropionate,ethyl 3-hydroxy-3-phenylpropanoate,CCOC(=O)CC(O)c1ccccc1,CCOC(=O)CC(O)c1ccccc1,"InChI=1/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3",C11H14O3,,,,,,DVIBDQWVFHDBOP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.810,227-290-3,5766-67-6,Ethylenediaminetetraacetonitrile,"2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetonitrile",N#CCN(CCN(CC#N)CC#N)CC#N,N#CCN(CCN(CC#N)CC#N)CC#N,InChI=1/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2,C10H12N6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5893,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.810,FDWRKVKXYZRYOD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.813,227-294-5,5768-48-9,Phosphonosuccinic acid,2-phosphonosuccinic acid,OC(=O)CC(C(=O)O)P(=O)(O)O,OC(=O)CC(C(=O)O)P(=O)(O)O,"InChI=1/C4H7O7P/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H2,9,10,11)",C4H7O7P,,,,,,KMDMOMDSEVTJTI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.850,225-135-4,4682-08-0,Hydroxylammonium oxalate (2:1),bis(hydroxyammonium) oxalate,[NH3+]O.[NH3+]O.[O-]C(=O)C(=O)[O-],[NH3+]O.[NH3+]O.[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.2H4NO/c3-1(4)2(5)6;2*1-2/h(H,3,4)(H,5,6);2*2H,1H3/q;2*+1/p-2",C2H2O4.2H3NO,,,,,,YIVSWULVVGTVFT-UHFFFAOYSA-L,,,,,,,,,,,
100.022.852,225-138-0,2/12/4684,4-chloronaphthylamine,4-chloronaphthalen-1-amine,Nc1ccc(Cl)c2ccccc12,Nc1ccc(Cl)c2ccccc12,"InChI=1/C10H8ClN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2",C10H8ClN,,,,,,DEPDZGNUVOAZCW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.854,225-140-1,5/12/4685,N-glycyl-L-aspartic acid,glycyl-L-aspartic acid,NCC(=O)N[C@@H](CC(=O)O)C(=O)O,NCC(=O)N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)",C6H10N2O5,,,,,,SCCPDJAQCXWPTF-VKHMYHEASA-N,,,,,,,,,,,
100.022.855,225-141-7,4685-14-7,"1,1'-dimethyl-4,4'-bipyridinium","1,1'-dimethyl-4,4'-bipyridinium",C[n+]1ccc(cc1)c2cc[n+](C)cc2,C[n+]1ccc(cc1)c2cc[n+](C)cc2,"InChI=1/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2",C12H14N2,,,,,,INFDPOAKFNIJBF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.857,225-143-8,4687-77-8,"4-(2,4-dimethyl-3-cyclohexen-1-yl)-3-buten-2-one","4-(2,4-dimethylcyclohex-3-en-1-yl)but-3-en-2-one",CC(=O)C=CC1CCC(/C)=C\\C1C,CC(=O)C=CC1CCC(/C)=C\C1C,"InChI=1/C12H18O/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h5,7-8,10,12H,4,6H2,1-3H3",C12H18O,,,,,,RAGGPHXESKFCRO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.860,225-146-4,4691-65-0,Inosine 5'-monophosphate disodium salt hydrate,"disodium 9-(5-O-phosphonatopentofuranosyl)-1,9-dihydro-6H-purin-6-one",OC1C(O)C(OC1COP(=O)(O[Na])O[Na])n2cnc3C(=O)NC=Nc23,OC1C(O)C(OC1COP(=O)(O[Na])O[Na])n2cnc3C(=O)NC=Nc23,"InChI=1/C10H13N4O8P.2Na/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/rC10H11N4Na2O8P/c15-23-25(20,24-16)21-1-4-6(17)7(18)10(22-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,17-18H,1H2,(H,11,12,19)",C10H13N4O8P.2Na,,,,,,AANLCWYVVNBGEE-UHFFFAOYSA-L,,,,,,,,,,,
100.022.862,225-149-0,4693-00-9,"6,8-dichloro-2H-3,1-benzoxazine-2,4(1H)-dione","6,8-dichloro-2H-3,1-benzoxazine-2,4(1H)-dione",Clc1cc(Cl)c2NC(=O)OC(=O)c2c1,Clc1cc(Cl)c2NC(=O)OC(=O)c2c1,"InChI=1/C8H3Cl2NO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13)",C8H3Cl2NO3,,,,,,VOCGTJXVKKCXJH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.863,225-150-6,4693-01-0,"1-methyl-6-nitro-2H-3,1-benzoxazine-2,4(1H)-dione","1-methyl-6-nitro-2H-3,1-benzoxazine-2,4(1H)-dione",CN1C(=O)OC(=O)c2cc(ccc12)[N+](=O)[O-],CN1C(=O)OC(=O)c2cc(ccc12)[N+](=O)[O-],"InChI=1/C9H6N2O5/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)16-9(10)13/h2-4H,1H3",C9H6N2O5,,,,,,CUIMZCXFMNKTEE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.717,227-188-9,5703-15-1,(2-neopentylallyl)succinic acid,"2-(4,4-dimethyl-2-methylenepentyl)succinic acid",CC(C)(C)CC(=C)CC(CC(=O)O)C(=O)O,CC(C)(C)CC(=C)CC(CC(=O)O)C(=O)O,"InChI=1/C12H20O4/c1-8(7-12(2,3)4)5-9(11(15)16)6-10(13)14/h9H,1,5-7H2,2-4H3,(H,13,14)(H,15,16)",C12H20O4,,,,,,HGPJAQIBDADAEL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.729,227-201-8,5712-71-0,Piperazine-1-ethanol dihydrochloride,2-piperazin-1-ylethanol dihydrochloride,Cl.Cl.OCCN1CCNCC1,Cl.Cl.OCCN1CCNCC1,"InChI=1/C6H14N2O.2ClH/c9-6-5-8-3-1-7-2-4-8;;/h7,9H,1-6H2;2*1H",C6H14N2O.2ClH,,,,,,AAKTZBGSBNQPBA-UHFFFAOYSA-N,,,,,,,,,,,
100.024.735,227-208-6,5714-80-7,Methyl DL-cysteinate hydrochloride,methyl L-cysteinate hydrochloride,Cl.COC(=O)[C@@H](N)CS,Cl.COC(=O)[C@@H](N)CS,"InChI=1/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H",C4H9NO2S.ClH,,,,,,WHOHXJZQBJXAKL-DFWYDOINSA-N,,,,,,,,,,,
100.024.739,227-212-8,5715-76-4,"Disodium 4-[(3-carboxylato-4-hydroxy-1-naphthyl)phenylmethylene]-1,4-dihydro-1-oxo-2-naphthoate",disodium 4-[(3-carboxylato-4-oxonaphthalen-1(4H)-ylidene)(phenyl)methyl]-1-hydroxy-2-naphthoate,[Na+].[Na+].[O-]C(=O)c2cc(c1ccccc1c2O)C(c3ccccc3)=C5/C=C(\\C(=O)c4ccccc45)C([O-])=O,[Na+].[Na+].[O-]C(=O)c2cc(c1ccccc1c2O)C(c3ccccc3)=C5/C=C(\C(=O)c4ccccc45)C([O-])=O,"InChI=1/C29H18O6.2Na/c30-26-19-12-6-4-10-17(19)21(14-23(26)28(32)33)25(16-8-2-1-3-9-16)22-15-24(29(34)35)27(31)20-13-7-5-11-18(20)22;;/h1-15,30H,(H,32,33)(H,34,35);;/q;2*+1/p-2",C29H18O6.2Na,,,,,,YMXSSEMZYBUPOI-UHFFFAOYSA-L,,,,,,,,,,,
100.024.744,227-218-0,5718-74-1,"1,3,3-trimethyl-2-thiabicyclo[2.2.2]octane","1,3,3-trimethyl-2-thiabicyclo[2.2.2]octane",CC12CCC(CC1)C(C)(C)S2,CC12CCC(CC1)C(C)(C)S2,"InChI=1/C10H18S/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",C10H18S,,,,,,NUVDNPOZQMQNKE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.375,229-012-6,6399-81-1,Triphenylphosphine hydrobromide,triphenylphosphine hydrobromide,Br.c1ccc(cc1)P(c2ccccc2)c3ccccc3,Br.c1ccc(cc1)P(c2ccccc2)c3ccccc3,InChI=1/C18H15P.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H,C18H15P.BrH,,,,,,CMSYDJVRTHCWFP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.376,229-013-1,6401-84-9,Cobalt dilinoleate,"cobalt(2+) dioctadeca-9,12-dienoate",[Co+2].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Co+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.1/2Co,,,,,,IIGAELMXVLEZPM-GRVYQHKQSA-L,,,,,,,,,,,
100.026.381,229-018-9,1/09/6402,3-methyl-1-(4-nitrophenyl)-5-pyrazolone,"5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one",CC1=CC(=O)N(N1)c2ccc(cc2)[N+](=O)[O-],CC1=CC(=O)N(N1)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C10H9N3O3/c1-7-6-10(14)12(11-7)8-2-4-9(5-3-8)13(15)16/h2-6,11H,1H3",C10H9N3O3,,,,,,RPUNZAYBJWRPCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.382,229-019-4,6402-36-4,Dodec-2-enedioic acid,dodec-2-enedioic acid,OC(=O)C=CCCCCCCCCC(O)=O,OC(=O)C=CCCCCCCCCC(O)=O,"InChI=1/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)",C12H20O4,,,,,,MAZWDMBCPDUFDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.349,231-184-2,1/07/7442,6-aminobenzothiazole-2-thiol,"6-amino-1,3-benzothiazole-2-thiol",Nc1ccc2nc(S)sc2c1,Nc1ccc2nc(S)sc2c1,"InChI=1/C7H6N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)",C7H6N2S2,,,,,,IDPNFKLUBIKHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.352,231-187-9,7443-70-1,cis-2-methylcyclohexanol,2-methylcyclohexanol,C[C@@H]1CCCC[C@@H]1O,C[C@@H]1CCCC[C@@H]1O,"InChI=1/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3",C7H14O,,,,,,NDVWOBYBJYUSMF-RQJHMYQMSA-N,,,,,,,,,,,
100.028.354,231-190-5,7445-18-3,"3,3-dimethyl-1,5-dioxonane-6,9-dione","3,3-dimethyl-1,5-dioxonane-6,9-dione",CC1(C)COC(=O)CCC(=O)OC1,CC1(C)COC(=O)CCC(=O)OC1,"InChI=1/C9H14O4/c1-9(2)5-12-7(10)3-4-8(11)13-6-9/h3-6H2,1-2H3",C9H14O4,,,,,,OYTPRMNLNFBYDV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.357,231-193-1,3/07/7446,Tellurium dioxide,oxotellane oxide,O=[Te]=O,O=[Te]=O,InChI=1/O2Te/c1-3-2,O2Te,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10827,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.357,LAJZODKXOMJMPK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.358,231-194-7,4/08/7446,Selenium dioxide,oxoselane oxide,O=[SeH2]=O,O=[SeH2]=O,InChI=1/O2Se/c1-3-2,O2Se,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11470,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.358,PNVLVMSGYOBGKO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.362,231-198-9,7446-14-2,Lead sulphate,lead(4+) disulfate,[Pb+2].[O-]S(=O)(=O)[O-],[Pb+2].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/p-2/rH2O4S.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4/p-2",H2O4S.Pb,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11201,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.362,KEQXNNJHMWSZHK-UHFFFAOYSA-L,,,,,,,,,,,
100.028.364,231-200-8,7446-17-5,Dirubidium selenate,dirubidium selenate,[Rb+].[Rb+].[O-][Se](=O)(=O)[O-],[Rb+].[Rb+].[O-][Se](=O)(=O)[O-],"InChI=1/H2O4Se.2Rb/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2",H2O4Se.2Rb,,,,,,PHYWMMXCLJVCBT-UHFFFAOYSA-L,,,,,,,,,,,
100.029.253,232-178-2,7789-60-8,Phosphorus tribromide,phosphorus(3+) tribromide,[PH6+3].[Br-].[Br-].[Br-],[PH6+3].[Br-].[Br-].[Br-],InChI=1/3BrH.H5P/h3*1H;1H5/q;;;+3/p-3,Br3P,,,,,,RMSPMPQNVSIDLD-UHFFFAOYSA-K,,,,,,,,,,,
100.029.254,232-179-8,7789-61-9,Antimony tribromide,antimony(3+) tribromide,[Br-].[Br-].[Br-].[SbH3+3],[Br-].[Br-].[Br-].[SbH3+3],InChI=1/3BrH.Sb.3H/h3*1H;;;;/q;;;+3;;;/p-3/r3BrH.H3Sb/h3*1H;1H3/q;;;+3/p-3,Br3Sb,,,,,,BJUAQAQGPWXYGO-UHFFFAOYSA-K,,,,,,,,,,,
100.022.849,225-134-9,5/03/4682,"6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one","6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one",[O-][N+](=O)C1=CC(=[N+]=[N-])C(=O)C(=C1)[N+](=O)[O-],[O-][N+](=O)C1=CC(=[N+]=[N-])C(=O)C(=C1)[N+](=O)[O-],InChI=1/C6H2N4O5/c7-8-4-1-3(9(12)13)2-5(6(4)11)10(14)15/h1-2H,C6H2N4O5,,,,,,IUKSYUOJRHDWRR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.851,225-137-5,4682-36-4,Orphenadrine dihydrogen citrate,"N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CN(C)CCOC(c1ccccc1)c2ccccc2C.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN(C)CCOC(c1ccccc1)c2ccccc2C.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C18H23NO.C6H8O7,,,,,,MMMNTDFSPSQXJP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.864,225-151-1,1/02/4693,"6-nitro-2H-3,1-benzoxazine-2,4(1H)-dione","6-nitro-2H-3,1-benzoxazine-2,4(1H)-dione",[O-][N+](=O)c1ccc2NC(=O)OC(=O)c2c1,[O-][N+](=O)c1ccc2NC(=O)OC(=O)c2c1,"InChI=1/C8H4N2O5/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(12)15-7/h1-3H,(H,9,12)",C8H4N2O5,,,,,,WWUBAHSWMPFIQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.865,225-152-7,4693-19-0,"2',5'-dihydroxyoctanophenone","1-(2,5-dihydroxyphenyl)octan-1-one",CCCCCCCC(=O)c1cc(O)ccc1O,CCCCCCCC(=O)c1cc(O)ccc1O,"InChI=1/C14H20O3/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,15,17H,2-7H2,1H3",C14H20O3,,,,,,UVAFQENBAUNGJG-UHFFFAOYSA-N,,,,,,,,,,,
100.023.002,225-302-1,4763-40-0,3-(dodecylamino)propiononitrile,3-(dodecylamino)propanenitrile,CCCCCCCCCCCCNCCC#N,CCCCCCCCCCCCNCCC#N,"InChI=1/C15H30N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-12,14-15H2,1H3",C15H30N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10022,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.002,DKRQDOPNZFOLQD-UHFFFAOYSA-N,,,,,,,,,,,
100.023.004,225-304-2,4764-14-1,"6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde","6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde",CC1(C)C2CCC(C=O)C1C2,CC1(C)C2CCC(C=O)C1C2,"InChI=1/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h6-9H,3-5H2,1-2H3",C10H16O,,,,,,OOCLVMCVOWKECB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.401,231-241-1,7459-95-2,Anthranilic acid dihydrochloride,2-aminobenzoic acid dihydrochloride,Cl.Cl.Nc1ccccc1C(=O)O,Cl.Cl.Nc1ccccc1C(=O)O,"InChI=1/C7H7NO2.2ClH/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4H,8H2,(H,9,10);2*1H",C7H7NO2.2ClH,,,,,,SHYNHMQFJMXLCD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.404,231-244-8,7460-14-2,Bismuth(3+) salicylate,bismuth(3+) tris(2-hydroxybenzoate),[BiH3+3].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-].Oc3ccccc3C(=O)[O-],[BiH3+3].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-].Oc3ccccc3C(=O)[O-],"InChI=1/3C7H6O3.Bi.3H/c3*8-6-4-2-1-3-5(6)7(9)10;;;;/h3*1-4,8H,(H,9,10);;;;/q;;;+3;;;/p-3/r3C7H6O3.BiH3/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);1H3/q;;;+3/p-3",C7H6O3.1/3Bi,,,,,,KGVHFZYLPQJMNL-UHFFFAOYSA-K,,,,,,,,,,,
100.028.413,231-254-2,7463-35-6,N-(3-chloro-2-methylphenyl)acetamide,N-(3-chloro-2-methylphenyl)acetamide,CC(=O)Nc1cccc(Cl)c1C,CC(=O)Nc1cccc(Cl)c1C,"InChI=1/C9H10ClNO/c1-6-8(10)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)",C9H10ClNO,,,,,,NALGTKRTIJHBBK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.416,231-257-9,1/03/7464,Bis(diisopropoxythiophosphinoyl) trisulphide,"O,O-diisopropyl [(diisopropoxyphosphorothioyl)trisulfanyl]phosphonothioate",CC(C)OP(=S)(OC(C)C)SSSP(=S)(OC(C)C)OC(C)C,CC(C)OP(=S)(OC(C)C)SSSP(=S)(OC(C)C)OC(C)C,"InChI=1/C12H28O4P2S5/c1-9(2)13-17(19,14-10(3)4)21-23-22-18(20,15-11(5)6)16-12(7)8/h9-12H,1-8H3",C12H28O4P2S5,,,,,,OJMINUQWQVCAIE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.420,231-262-6,7467-29-0,"5-(o-tolylazo)toluene-2,4-diamine","4-methyl-6-[(2-methylphenyl)diazenyl]benzene-1,3-diamine",Cc2ccccc2N=Nc1cc(C)c(N)cc1N,Cc2ccccc2N=Nc1cc(C)c(N)cc1N,"InChI=1/C14H16N4/c1-9-5-3-4-6-13(9)17-18-14-7-10(2)11(15)8-12(14)16/h3-8H,15-16H2,1-2H3",C14H16N4,,,,,,LFAUQAQLVVJIAC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.434,231-277-8,7475-56-1,Chlorodiphenylacetic acid,chloro(diphenyl)acetic acid,OC(=O)C(Cl)(c1ccccc1)c2ccccc2,OC(=O)C(Cl)(c1ccccc1)c2ccccc2,"InChI=1/C14H11ClO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,17)",C14H11ClO2,,,,,,UJRMHFPTLFNSTA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.441,231-285-1,2/05/7479,Ethyl L-tryptophanate,ethyl L-tryptophanate,CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,"InChI=1/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3",C13H16N2O2,,,,,,DABYEOZXRSTEGL-NSHDSACASA-N,,,,,,,,,,,
100.028.447,231-291-4,7486-35-3,Tributylvinylstannane,"(1,2-dibutylhex-1-en-1-yl)stannane",CCCCC(=C(CCCC)CCCC)[Sn],CCCCC(=C(CCCC)CCCC)[Sn],"InChI=1/C14H27.Sn/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;/q;+3/rC14H27Sn/c1-4-7-10-13(11-8-5-2)14(15)12-9-6-3/h4-12H2,1-3H3/q+3",C14H30Sn,,,,,,SHPQVJNNBXMZRW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.188,227-706-3,5947-49-9,"(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethylphenanthrene-1-carboxylic acid","12-hydroxypodocarpa-8,11,13-trien-16-oic acid",C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc23)C(=O)O,C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc23)C(=O)O,"InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)",C17H22O3,,,,,,VJILEYKNALCDDV-OIISXLGYSA-N,,,,,,,,,,,
100.019.163,221-078-4,3000-39-3,"3-(cyclopentyloxy)-19-nor-17a-pregna-3,5-dien-20-yn-17-yl acetate","3-(cyclopentyloxy)-17-ethynylestra-3,5-dien-17-yl acetate",CC(=O)O[C@]1(CC[C@H]2[C@@H]3CC=C4C=C(CC[C@@H]4[C@H]3CC[C@]12C)OC5CCCC5)C#C,CC(=O)O[C@]1(CC[C@H]2[C@@H]3CC=C4C=C(CC[C@@H]4[C@H]3CC[C@]12C)OC5CCCC5)C#C,"InChI=1/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3",C27H36O3,,,,,,FLGJKPPXEKYCBY-AKCFYGDASA-N,,,,,,,,,,,
100.019.169,221-085-2,3001-65-8,"2,2'-thiodipropanol","2,2'-sulfanediyldipropan-1-ol",CC(CO)SC(C)CO,CC(CO)SC(C)CO,"InChI=1/C6H14O2S/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3",C6H14O2S,,,,,,DUFCZJRMDGJQRR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.171,221-087-3,3001-72-7,"1,5-diazobicyclo[4.3.0]non-5-ene","1,2,3,4,5,6-hexahydro-3a,7-epiminoindenium-8-ylideneazanide",[N-]=[N+]1C2=C3CCCC13CCC2,[N-]=[N+]1C2=C3CCCC13CCC2,InChI=1/C9H12N2/c10-11-8-4-2-6-9(11)5-1-3-7(8)9/h1-6H2,C7H12N2,,,,,,HHCBYVLNFWNEJX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.175,221-092-0,3002-22-0,"Nitrilotriethane-1,2-diyl tristearate","nitrilotriethane-2,1-diyl trioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C60H117NO6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-57H2,1-3H3",C60H117NO6,,,,,,UJMACCGITUHEGE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.176,221-093-6,3002-23-1,"6-methylheptane-2,4-dione","6-methylheptane-2,4-dione",CC(C)CC(=O)CC(=O)C,CC(C)CC(=O)CC(=O)C,"InChI=1/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3",C8H14O2,,,,,,IGMOYJSFRIASIE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.179,221-096-2,3002-54-8,Neodymium citrate,neodymium citrate,[Nd+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Nd+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Nd/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",C6H8O7.Nd,,,,,,HSULNFGSJFUXON-UHFFFAOYSA-K,,,,,,,,,,,
100.019.185,221-102-3,3003-84-7,2-(chloromethyl)tetrahydrofuran,2-(chloromethyl)tetrahydrofuran,ClCC1CCCO1,ClCC1CCCO1,"InChI=1/C5H9ClO/c6-4-5-2-1-3-7-5/h5H,1-4H2",C5H9ClO,,,,,,IVJLGIMHHWKRAN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.685,223-853-2,4097-22-7,"2',3'-dideoxyadenosine",[5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methanol,Nc1ncnc2c1ncn2[C@H]3CC[C@@H](CO)O3,Nc1ncnc2c1ncn2[C@H]3CC[C@@H](CO)O3,"InChI=1/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)",C10H13N5O2,,,,,,WVXRAFOPTSTNLL-NKWVEPMBSA-N,,,,,,,,,,,
100.021.686,223-854-8,4097-34-1,"2,6-dinitro-4-nonylphenol","2,6-dinitro-4-nonylphenol",CCCCCCCCCc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],CCCCCCCCCc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C15H22N2O5/c1-2-3-4-5-6-7-8-9-12-10-13(16(19)20)15(18)14(11-12)17(21)22/h10-11,18H,2-9H2,1H3",C15H22N2O5,,,,,,JWXOAOUZIHUGMP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.689,223-857-4,4097-89-6,"N,N-bis(2-aminoethyl)ethylenediamine","N,N-bis(2-aminoethyl)ethane-1,2-diamine",NCCN(CCN)CCN,NCCN(CCN)CCN,InChI=1/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2,C6H18N4,,,,,,MBYLVOKEDDQJDY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.691,223-860-0,4098-30-0,Dodecamethylcyclohexasilane,dodecamethylhexasilinane,C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C,C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C,"InChI=1/C12H36Si6/c1-13(2)14(3,4)16(7,8)18(11,12)17(9,10)15(13,5)6/h1-12H3",C12H36Si6,,,,,,RTCLHEHPUHREBC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.696,223-865-8,4099-85-8,"Methyl 2,3-O-isopropylidene-ß-D-ribofuranoside","methyl 2,3-O-isopropylidene-beta-D-ribofuranoside",CO[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@@H]12,CO[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@@H]12,"InChI=1/C9H16O5/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8,10H,4H2,1-3H3",C9H16O5,,,,,,DXBHDBLZPXQALN-WCTZXXKLSA-N,,,,,,,,,,,
100.021.699,223-868-4,4100-41-8,"1,2,3-thiadiazol-5-amine","1,2,3-thiadiazol-5-amine",Nc1cnns1,Nc1cnns1,"InChI=1/C2H3N3S/c3-2-1-4-5-6-2/h1H,3H2",C2H3N3S,,,,,,PVGHNTXQMCYYGF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.702,223-872-6,4102-84-5,6-chloro-4-nitro-o-cresol,2-chloro-6-methyl-4-nitrophenol,Cc1cc(cc(Cl)c1O)[N+](=O)[O-],Cc1cc(cc(Cl)c1O)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-4-2-5(9(11)12)3-6(8)7(4)10/h2-3,10H,1H3",C7H6ClNO3,,,,,,KORZLRSUPBWADT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.707,223-877-3,4104-75-0,1-methyl-1-phenylthiourea,1-methyl-1-phenylthiourea,CN(C(=S)N)c1ccccc1,CN(C(=S)N)c1ccccc1,"InChI=1/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)",C8H10N2S,,,,,,MCWZNJNWGQPUGL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.708,223-878-9,5/01/4105,Disodium tetrahydrogen [nitrilotris(methylene)]trisphosphonate,disodium tetrahydrogen [nitrilotris(methylene)]tris(phosphonate),[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.2Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;/q;2*+1/p-6",C3H12NO9P3.2Na,,,,,,RZUKJGSTAHDNMV-UHFFFAOYSA-H,,,,,,,,,,,
100.022.866,225-153-2,4693-68-9,"N,N'-ethylenedi-p-toluidine","N,N'-bis(4-methylphenyl)ethane-1,2-diamine",Cc1ccc(NCCNc2ccc(C)cc2)cc1,Cc1ccc(NCCNc2ccc(C)cc2)cc1,"InChI=1/C16H20N2/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3",C16H20N2,,,,,,CSFJHJLPCWAQHC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.874,225-162-1,4696-47-3,Ammonium hexadecyl sulphate,ammonium hexadecyl sulfate,[NH4+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C16H34O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);1H3",C16H34O4S.H3N,,,,,,OADXQALOSREDRB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.003,225-303-7,4763-79-5,4-[2-[4-(2-benzoxazoleyl)phenyl]vinyl]benzoic acid,"4-{2-[4-(1,3-benzoxazol-2-yl)phenyl]vinyl}benzoic acid",OC(=O)c1ccc(\\C=C\\c2ccc(cc2)c3oc4ccccc4n3)cc1,OC(=O)c1ccc(\C=C\c2ccc(cc2)c3oc4ccccc4n3)cc1,"InChI=1/C22H15NO3/c24-22(25)18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)21-23-19-3-1-2-4-20(19)26-21/h1-14H,(H,24,25)",C22H15NO3,,,,,,LKYXNMIEWBYPGZ-AATRIKPKSA-N,,,,,,,,,,,
100.023.008,225-308-4,4767-61-7,3-[(4-methoxyphenyl)methylene]phthalide,3-(4-methoxybenzylidene)-2-benzofuran-1(3H)-one,COc1ccc(cc1)C=C3OC(=O)c2ccccc23,COc1ccc(cc1)C=C3OC(=O)c2ccccc23,"InChI=1/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)19-15/h2-10H,1H3",C16H12O3,,,,,,XBPLURLJIACOAL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.399,231-239-0,7459-75-8,"3,6-diaminoacridine hydrochloride","acridine-3,6-diamine hydrochloride",Cl.Nc1ccc2cc3ccc(N)cc3nc2c1,Cl.Nc1ccc2cc3ccc(N)cc3nc2c1,"InChI=1/C13H11N3.ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h1-7H,14-15H2;1H",C13H11N3.xClH,,,,,,PBBGTVBGXBUVLT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.400,231-240-6,7459-88-3,Iron hydroxide succinate,-,[Fe].OC(=O)CCC(O)=O,[Fe].OC(=O)CCC(O)=O,"InChI=1/C4H6O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2",C4H6O4.xFe,,,,,,VAMMNAAZSNNEDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.407,231-247-4,7460-75-5,"Tetraethyl propane-1,2,2,3-tetracarboxylate","tetraethyl propane-1,2,2,3-tetracarboxylate",CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)C(=O)OCC,CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)C(=O)OCC,"InChI=1/C15H24O8/c1-5-20-11(16)9-15(13(18)22-7-3,14(19)23-8-4)10-12(17)21-6-2/h5-10H2,1-4H3",C15H24O8,,,,,,MWRALIMEHCNIJC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.408,231-249-5,7461-60-1,"2',3'-dimethoxycinnamic acid","3-(2,3-dimethoxyphenyl)acrylic acid",COc1cccc(C=CC(=O)O)c1OC,COc1cccc(C=CC(=O)O)c1OC,"InChI=1/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)",C11H12O4,,,,,,QAXPUWGAGVERSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.414,231-255-8,7463-51-6,"4-bromo-3,5-xylenol","4-bromo-3,5-dimethylphenol",Cc1cc(O)cc(C)c1Br,Cc1cc(O)cc(C)c1Br,"InChI=1/C8H9BrO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",C8H9BrO,,,,,,WMUWDPLTTLJNPE-UHFFFAOYSA-N,,,,,,,,,,,
100.028.418,231-260-5,7466-54-8,o-anisohydrazide,2-methoxybenzohydrazide,COc1ccccc1C(=O)NN,COc1ccccc1C(=O)NN,"InChI=1/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O2,,,,,,QMGXWNSSMGAHCA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.419,231-261-0,1/12/7467,m-xylene-4-sulphonamide,"2,4-dimethylbenzenesulfonamide",Cc1ccc(c(C)c1)S(=O)(=O)N,Cc1ccc(c(C)c1)S(=O)(=O)N,"InChI=1/C8H11NO2S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)",C8H11NO2S,,,,,,UGBKWMBOBQOCSS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.425,231-267-3,7470-50-0,N-(3-nitrophenyl)propionamide,N-(3-nitrophenyl)propanamide,CCC(=O)Nc1cccc(c1)[N+](=O)[O-],CCC(=O)Nc1cccc(c1)[N+](=O)[O-],"InChI=1/C9H10N2O3/c1-2-9(12)10-7-4-3-5-8(6-7)11(13)14/h3-6H,2H2,1H3,(H,10,12)",C9H10N2O3,,,,,,KJYLJFHUBHZCKT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.426,231-268-9,7471-63-8,7-methyl-8-nitroquinoline,7-methyl-8-nitroquinoline,Cc1ccc2cccnc2c1[N+](=O)[O-],Cc1ccc2cccnc2c1[N+](=O)[O-],"InChI=1/C10H8N2O2/c1-7-4-5-8-3-2-6-11-9(8)10(7)12(13)14/h2-6H,1H3",C10H8N2O2,,,,,,ZZDTVYJYMRSNQL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.429,231-272-0,7473-98-5,2-hydroxy-2-methylpropiophenone,2-hydroxy-2-methyl-1-phenylpropan-1-one,CC(C)(O)C(=O)c1ccccc1,CC(C)(O)C(=O)c1ccccc1,"InChI=1/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3",C10H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11211,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.429,XMLYCEVDHLAQEL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.433,231-276-2,8/11/7475,"1,4,6-trihydroxyanthraquinone","1,4,6-trihydroxy-9,10-anthraquinone",Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1,Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1,"InChI=1/C14H8O5/c15-6-1-2-7-8(5-6)14(19)12-10(17)4-3-9(16)11(12)13(7)18/h1-5,15-17H",C14H8O5,,,,,,FDXKFCSGFMVEEG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.194,227-713-1,5950-69-6,"2,2',3,3,3',3'-hexahydroxy-2,2'-bisindan-1,1'-dione","2,2',3,3,3',3'-hexahydroxy-2,2',3,3'-tetrahydro-1H,1'H-2,2'-biindene-1,1'-dione",OC1(O)c2ccccc2C(=O)C1(O)C3(O)C(=O)c4ccccc4C3(O)O,OC1(O)c2ccccc2C(=O)C1(O)C3(O)C(=O)c4ccccc4C3(O)O,"InChI=1/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H",C18H14O8,,,,,,QHVADKNWNMILPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.256,232-181-9,7789-65-3,Selenium tetrabromide,selenium tetrabromide,[SeH4+2].[SeH4+2].[Br-].[Br-].[Br-].[Br-],[SeH4+2].[SeH4+2].[Br-].[Br-].[Br-].[Br-],InChI=1/4BrH.2H4Se/h4*1H;2*1H4/q;;;;2*+2/p-4,Br4Se,,,,,,YKVSNJUFTUJVIB-UHFFFAOYSA-J,,,,,,,,,,,
100.029.264,232-190-8,7789-79-9,Calcium phosphinate,calcium bis(phosphinate),[Ca+2].[O-]P=O.[O-]P=O,[Ca+2].[O-]P=O.[O-]P=O,"InChI=1/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",Ca.2H3O2P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17774,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.264,LITFOGPYONJRNO-UHFFFAOYSA-L,,,,,,,,,,,
100.029.273,232-200-0,7790-32-1,Magnesium diiodate,magnesium diiodate,[Mg+2].[O-]I(=O)=O.[O-]I(=O)=O,[Mg+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/2HIO3.Mg/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",HIO3.1/2Mg,,,,,,UYNRPXVNKVAGAN-UHFFFAOYSA-L,,,,,,,,,,,
100.026.755,229-429-3,6531-45-9,Lithium propionate,lithium propionate,[Li+].CCC(=O)[O-],[Li+].CCC(=O)[O-],"InChI=1/C3H6O2.Li/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1",C3H6O2.Li,,,,,,AXMOZGKEVIBBCF-UHFFFAOYSA-M,,,,,,,,,,,
100.026.764,229-439-8,6535-42-8,4-[(4-ethoxyphenyl)azo]naphthol,4-[(4-ethoxyphenyl)diazenyl]-1-naphthol,CCOc1ccc(cc1)N=Nc3ccc(O)c2ccccc23,CCOc1ccc(cc1)N=Nc3ccc(O)c2ccccc23,"InChI=1/C18H16N2O2/c1-2-22-14-9-7-13(8-10-14)19-20-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3",C18H16N2O2,,,,,,JSEYDVLGSMLKDL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.765,229-440-3,6535-46-2,"3-hydroxy-N-(o-tolyl)-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide","3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]-2-naphthamide",Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)c(Cl)cc4Cl,Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)c(Cl)cc4Cl,"InChI=1/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)",C24H16Cl3N3O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14453,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.765,JQNJCQYNSLCFAC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.766,229-441-9,6535-47-3,3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(o-tolyl)naphthalene-2-carboxamide,3-hydroxy-4-[(4-methyl-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-2-naphthamide,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(C)cc2[N+]([O-])=O)c3O,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(C)cc2[N+]([O-])=O)c3O,"InChI=1/C25H20N4O4/c1-15-11-12-21(22(13-15)29(32)33)27-28-23-18-9-5-4-8-17(18)14-19(24(23)30)25(31)26-20-10-6-3-7-16(20)2/h3-14,30H,1-2H3,(H,26,31)",C25H20N4O4,,,,,,ZULWYEUQOYBFOW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.767,229-442-4,6535-48-4,N-(5-chloro-2-methylphenyl)-4-[(5-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide,N-(5-chloro-2-methylphenyl)-4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy-2-naphthamide,Cc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(Cl)ccc1C)c2O,Cc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(Cl)ccc1C)c2O,"InChI=1/C25H19Cl2N3O2/c1-14-7-9-17(26)12-21(14)28-25(32)20-11-16-5-3-4-6-19(16)23(24(20)31)30-29-22-13-18(27)10-8-15(22)2/h3-13,31H,1-2H3,(H,28,32)",C25H19Cl2N3O2,,,,,,QXBPSANXMNTNKH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.770,229-446-6,6535-71-3,"5-hydroxy-4-[[(6-hydroxy-2-naphthyl)sulphonyl]amino]naphthalene-1,7-disulphonic acid","5-hydroxy-4-{[(6-hydroxy-2-naphthyl)sulfonyl]amino}naphthalene-1,7-disulfonic acid",Oc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(c4cc(cc(O)c34)S(=O)(=O)O)S(=O)(=O)O,Oc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(c4cc(cc(O)c34)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C20H15NO10S3/c22-13-3-1-12-8-14(4-2-11(12)7-13)32(24,25)21-17-5-6-19(34(29,30)31)16-9-15(33(26,27)28)10-18(23)20(16)17/h1-10,21-23H,(H,26,27,28)(H,29,30,31)",C20H15NO10S3,,,,,,GOSKXOUVLIDYTF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.778,229-455-5,6540-98-3,4-hydroxydecan-5-one,4-hydroxydecan-5-one,CCCCCC(=O)C(O)CCC,CCCCCC(=O)C(O)CCC,"InChI=1/C10H20O2/c1-3-5-6-8-10(12)9(11)7-4-2/h9,11H,3-8H2,1-2H3",C10H20O2,,,,,,NPWFKGHVYNCQJE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.780,229-457-6,6542-37-6,"1H,3H,5H-oxazolo[3,4-c]oxazole-7a(7H)-methanol","1H-[1,3]oxazolo[3,4-c][1,3]oxazol-7a(7H)-ylmethanol",OCC12COCN1COC2,OCC12COCN1COC2,"InChI=1/C6H11NO3/c8-1-6-2-9-4-7(6)5-10-3-6/h8H,1-5H2",C6H11NO3,,,,,,BFHKYHMIVDBCPC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.388,229-026-2,6406-30-0,Disodium 8-(phenylamino)-5-[[4-(phenylazo)-7-sulphonato-1-naphthyl]azo]naphthalenesulphonate,disodium 8-anilino-5-{[4-(phenyldiazenyl)-7-sulfonato-1-naphthyl]diazenyl}naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3ccccc3)c4ccc(cc45)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3ccccc3)c4ccc(cc45)S([O-])(=O)=O,"InChI=1/C32H23N5O6S2.2Na/c38-44(39,40)23-14-15-24-26(20-23)29(17-16-27(24)35-34-22-10-5-2-6-11-22)37-36-28-18-19-30(33-21-8-3-1-4-9-21)32-25(28)12-7-13-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C32H23N5O6S2.2Na,,,,,,CEEVGWJZICQAEK-UHFFFAOYSA-L,,,,,,,,,,,
100.026.391,229-029-9,6406-56-0,Sodium 4-(4-(2-hydroxynaphthalenylazo)phenylazo)benzenesulphonate,sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4ccccc4ccc3O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4ccccc4ccc3O,"InChI=1/C22H16N4O4S.Na/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30;/h1-14,27H,(H,28,29,30);/q;+1/p-1",C22H16N4O4S.Na,,,,,,QERXHBDEEFLTOL-UHFFFAOYSA-M,,,,,,,,,,,
100.025.189,227-707-9,3/05/5949,"(S)-3,7-dimethyloct-6-enal","3,7-dimethyloct-6-enal",C[C@@H](CCC=C(C)C)CC=O,C[C@@H](CCC=C(C)C)CC=O,"InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3",C10H18O,,,,,,NEHNMFOYXAPHSD-JTQLQIEISA-N,,,,,,,,,,,
100.025.190,227-708-4,5949-16-6,Cinchonine sulphate,cinchonan-9-ol sulfate (salt),O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OS(=O)(=O)O,O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OS(=O)(=O)O,"InChI=1/C19H22N2O.H2O4S/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)",C19H22N2O.1/2H2O4S,,,,,,KFHZMXDENPHHOU-BKUXTCEESA-N,,,,,,,,,,,
100.025.196,227-715-2,5950-83-4,1-nitro-2-(4-nitrophenoxy)benzene,1-nitro-2-(4-nitrophenoxy)benzene,[O-][N+](=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1,InChI=1/C12H8N2O5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8H,C12H8N2O5,,,,,,KDIBCWWBNMTRPK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.199,227-718-9,5953-76-4,Methyl 2-methylisocrotonate,methyl 2-methylbut-2-enoate,COC(=O)\\C(=C/C)\\C,COC(=O)\C(=C/C)\C,"InChI=1/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3",C6H10O2,,,,,,YYJWBYNQJLBIGS-PLNGDYQASA-N,,,,,,,,,,,
100.025.201,227-721-5,5954-71-2,"cis-2,3-dimethylthiirane","2,3-dimethylthiirane",C[C@@H]1S[C@@H]1C,C[C@@H]1S[C@@H]1C,"InChI=1/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3",C4H8S,,,,,,ZMJBHCIEMIVIFZ-ZXZARUISSA-N,,,,,,,,,,,
100.025.203,227-723-6,3/01/5959,"Ethyl 1-amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylate","ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate",CCOC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1N,CCOC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C17H13NO4/c1-2-22-17(21)12-8-7-11-13(14(12)18)16(20)10-6-4-3-5-9(10)15(11)19/h3-8H,2,18H2,1H3",C17H13NO4,,,,,,BEJYYZULZYIARA-UHFFFAOYSA-N,,,,,,,,,,,
100.025.206,227-726-2,5959-52-4,3-amino-2-naphthoic acid,3-amino-2-naphthoic acid,Nc1cc2ccccc2cc1C(=O)O,Nc1cc2ccccc2cc1C(=O)O,"InChI=1/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)",C11H9NO2,,,,,,XFXOLBNQYFRSLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.207,227-727-8,5959-56-8,4-amino-1-naphthol hydrochloride,4-amino-1-naphthol hydrochloride,Cl.Nc1ccc(O)c2ccccc12,Cl.Nc1ccc(O)c2ccccc12,"InChI=1/C10H9NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6,12H,11H2;1H",C10H9NO.ClH,,,,,,FDBQTRARWCKEJY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.217,227-738-8,5962-42-5,3-phosphonopropionic acid,3-phosphonopropanoic acid,OC(=O)CCP(=O)(O)O,OC(=O)CCP(=O)(O)O,"InChI=1/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)",C3H7O5P,,,,,,NLBSQHGCGGFVJW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.220,227-741-4,5964-24-9,Sodium timerfonate,sodium ethyl[4-(sulfanyl-kappaS)benzenesulfonato(2-)]mercurate(1-),[Na+].CC[Hg]Sc1ccc(cc1)S(=O)(=O)[O-],[Na+].CC[Hg]Sc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H6O3S2.C2H5.Hg.Na/c7-11(8,9)6-3-1-5(10)2-4-6;1-2;;/h1-4,10H,(H,7,8,9);1H2,2H3;;/q;;2*+1/p-2/rC8H10HgO3S2.Na/c1-2-9-13-7-3-5-8(6-4-7)14(10,11)12;/h3-6H,2H2,1H3,(H,10,11,12);/q;+1/p-1",C8H9HgO3S2.Na,,,,,,LUKFIMQJXRYJNK-UHFFFAOYSA-L,,,,,,,,,,,
100.025.227,227-749-8,5965-49-1,Ketobemidone hydrochloride,1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one hydrochloride,Cl.CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2,Cl.CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2,"InChI=1/C15H21NO2.ClH/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12;/h4-6,11,17H,3,7-10H2,1-2H3;1H",C15H21NO2.ClH,,,,,,HYDFAZFVKRXNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.231,227-754-5,5966-51-8,"1,3-bis(dimethylamino)propan-2-ol","1,3-bis(dimethylamino)propan-2-ol",CN(C)CC(O)CN(C)C,CN(C)CC(O)CN(C)C,"InChI=1/C7H18N2O/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3",C7H18N2O,,,,,,JGVZJRHAZOBPMW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.232,227-755-0,9/09/5967,"1,3-diacetoxy-1,1,3,3-tetrabutyldistannoxane","1,3-diacetoxy-1,1,3,3-tetrabutyldistannoxane",CCCC[Sn](CCCC)(OC(=O)C)O[Sn](CCCC)(CCCC)OC(=O)C,CCCC[Sn](CCCC)(OC(=O)C)O[Sn](CCCC)(CCCC)OC(=O)C,"InChI=1/4C4H9.2C2H4O2.O.2Sn/c4*1-3-4-2;2*1-2(3)4;;;/h4*1,3-4H2,2H3;2*1H3,(H,3,4);;;/q;;;;;;;2*+1/p-2/rC20H42O5Sn2/c1-7-11-15-26(16-12-8-2,23-19(5)21)25-27(17-13-9-3,18-14-10-4)24-20(6)22/h7-18H2,1-6H3",C20H42O5Sn2,,,,,,JLHADLTXDDGZFX-UHFFFAOYSA-L,,,,,,,,,,,
100.025.233,227-756-6,5967-73-7,"(R)-dimethyl(1-methyl-4-oxo-3,3-diphenylhexyl)ammonium chloride","N,N-dimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride",[Cl-].CCC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c2ccccc2,[Cl-].CCC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c2ccccc2,"InChI=1/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H",C21H27NO.ClH,,,,,,FJQXCDYVZAHXNS-UNTBIKODSA-N,,,,,,,,,,,
100.024.821,227-302-7,5779-54-4,Cyclarbamate,"cyclopentane-1,1-diylbis(methylene) bis(phenylcarbamate)",O=C(Nc1ccccc1)OCC2(COC(=O)Nc3ccccc3)CCCC2,O=C(Nc1ccccc1)OCC2(COC(=O)Nc3ccccc3)CCCC2,"InChI=1/C21H24N2O4/c24-19(22-17-9-3-1-4-10-17)26-15-21(13-7-8-14-21)16-27-20(25)23-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24)(H,23,25)",C21H24N2O4,,,,,,IRZVVDMCEZNNCW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.828,227-310-0,8/06/5785,m-anisohydrazide,3-methoxybenzohydrazide,COc1cccc(c1)C(=O)NN,COc1cccc(c1)C(=O)NN,"InChI=1/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O2,,,,,,VMZSDAQEWPNOIB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.710,223-881-5,4105-38-8,"Uridine 2',3',5'-triacetate","2',3',5'-tri-O-acetyluridine",CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)N2C=CC(=O)NC2=O,CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)N2C=CC(=O)NC2=O,"InChI=1/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)",C15H18N2O9,,,,,,AUFUWRKPQLGTGF-FMKGYKFTSA-N,,,,,,,,,,,
100.021.711,223-882-0,4105-90-2,"5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-3H-pyrazol-3-one","5-ethoxy-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one",CCOC1=NN(C(=O)C1)c2ccc(cc2)[N+](=O)[O-],CCOC1=NN(C(=O)C1)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C11H11N3O4/c1-2-18-10-7-11(15)13(12-10)8-3-5-9(6-4-8)14(16)17/h3-6H,2,7H2,1H3",C11H11N3O4,,,,,,XWXGLGWXBJDMPT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.712,223-883-6,4105-91-3,1-(p-aminophenyl)-3-ethoxy-2-pyrazolin-5-one,"2-(4-aminophenyl)-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one",CCOC1=NN(C(=O)C1)c2ccc(N)cc2,CCOC1=NN(C(=O)C1)c2ccc(N)cc2,"InChI=1/C11H13N3O2/c1-2-16-10-7-11(15)14(13-10)9-5-3-8(12)4-6-9/h3-6H,2,7,12H2,1H3",C11H13N3O2,,,,,,IZFXFWHTVIURLG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.714,223-885-7,4106-76-7,2-[(4-chloro-2-nitrophenyl)azo]-3-oxo-N-phenylbutyramide,2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccccc1)cc2)[N+]([O-])=O,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccccc1)cc2)[N+]([O-])=O,"InChI=1/C16H13ClN4O4/c1-10(22)15(16(23)18-12-5-3-2-4-6-12)20-19-13-8-7-11(17)9-14(13)21(24)25/h2-9,15H,1H3,(H,18,23)",C16H13ClN4O4,,,,,,KBNQUAQMTGZQGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.717,223-888-3,4109-96-0,Dichlorosilane,dichlorosilane,Cl[SiH2]Cl,Cl[SiH2]Cl,InChI=1/Cl2H2Si/c1-3-2/h3H2,Cl2H2Si,,,,,,MROCJMGDEKINLD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.695,242-582-0,18794-84-8,"(E)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene","7,11-dimethyl-3-methylenedodeca-1,6,10-triene",CC(=CCC\\C(=C\\CCC(=C)C=C)\\C)C,CC(=CCC\C(=C\CCC(=C)C=C)\C)C,"InChI=1/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3",C15H24,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10936,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.695,JSNRRGGBADWTMC-NTCAYCPXSA-N,,,,,,,,,,,
100.038.698,242-585-7,18800-30-1,2-bromoethyl p-bromophenyl ether,1-bromo-4-(2-bromoethoxy)benzene,BrCCOc1ccc(Br)cc1,BrCCOc1ccc(Br)cc1,"InChI=1/C8H8Br2O/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2",C8H8Br2O,,,,,,SRGBSEMMGLSUMI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.702,242-589-9,18802-38-5,"6-amino-1,2,4-triazine-3,5(2H,4H)-dione","6-amino-1,2,4-triazine-3,5(2H,4H)-dione",NC1=NNC(=O)NC1=O,NC1=NNC(=O)NC1=O,"InChI=1/C3H4N4O2/c4-1-2(8)5-3(9)7-6-1/h(H2,4,6)(H2,5,7,8,9)",C3H4N4O2,,,,,,GFJDLRANNRSMCK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.707,242-595-1,18811-70-6,1-(1H-benzotriazol-5-yl)-3-phenylurea,1-(1H-benzotriazol-6-yl)-3-phenylurea,O=C(Nc1ccccc1)Nc2ccc3nn[nH]c3c2,O=C(Nc1ccccc1)Nc2ccc3nn[nH]c3c2,"InChI=1/C13H11N5O/c19-13(14-9-4-2-1-3-5-9)15-10-6-7-11-12(8-10)17-18-16-11/h1-8H,(H2,14,15,19)(H,16,17,18)",C13H11N5O,,,,,,POZVYOVYIZCFLB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.709,242-597-2,18818-64-9,"7-chloro-1,3-dihydro-1-methyl-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate","7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate",CN1C(=O)C(OC(=O)C)N=C(c2ccccc2)c3cc(Cl)ccc13,CN1C(=O)C(OC(=O)C)N=C(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C18H15ClN2O3/c1-11(22)24-17-18(23)21(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17H,1-2H3",C18H15ClN2O3,,,,,,PTWWAHZQIATUFG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.722,242-611-7,18829-70-4,"(2S-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol",O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)c(O)c3,O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)c(O)c3,"InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",C15H14O6,,,,,,PFTAWBLQPZVEMU-HIFRSBDPSA-N,,,,,,,,,,,
100.038.726,242-615-9,18835-33-1,Hexacos-1-ene,hexacos-1-ene,CCCCCCCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3",C26H52,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11816,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.726,OMXANELYEWRDAW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.728,242-618-5,18836-29-8,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with hydrazine (1:1)","1,3,5-triazinane-2,4,6-trione - hydrazine (1:1)",NN.O=C1NC(=O)NC(=O)N1,NN.O=C1NC(=O)NC(=O)N1,"InChI=1/C3H3N3O3.H4N2/c7-1-4-2(8)6-3(9)5-1;1-2/h(H3,4,5,6,7,8,9);1-2H2",C3H3N3O3.H4N2,,,,,,REWJAYUHYGWDJT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.729,242-619-0,18838-38-5,"N-(phosphonoamidino)sarcosine, dipotassium salt",-,[K+].[K+].CN(CC(=O)[O-])C(=N)NP(=O)(O)O,[K+].[K+].CN(CC(=O)[O-])C(=N)NP(=O)(O)O,"InChI=1/C4H10N3O5P.2K/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-1",C4H10N3O5P.2K,,,,,,SQOKPBMWFCQTDM-UHFFFAOYSA-M,,,,,,,,,,,
100.038.731,242-621-1,18846-91-8,3-hydroxy-4-[(2-methoxyphenyl)azo]-N-phenylnaphthalene-2-carboxamide,3-hydroxy-4-[(2-methoxyphenyl)diazenyl]-N-phenyl-2-naphthamide,COc4ccccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O,COc4ccccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O,"InChI=1/C24H19N3O3/c1-30-21-14-8-7-13-20(21)26-27-22-18-12-6-5-9-16(18)15-19(23(22)28)24(29)25-17-10-3-2-4-11-17/h2-15,28H,1H3,(H,25,29)",C24H19N3O3,,,,,,MZOOQEKXDIVGRL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.202,227-722-0,5955-19-1,Chloro-m-tolylmercury,chloro(3-methylphenyl)mercury,Cc1cccc([Hg]Cl)c1,Cc1cccc([Hg]Cl)c1,"InChI=1/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q;;+1/p-1/rC7H7ClHg/c1-6-3-2-4-7(5-6)9-8/h2-5H,1H3",C7H7ClHg,,,,,,JYXGTTLIHJHMIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.025.205,227-725-7,5959-39-7,"2-amino-4,6-dichlorophenol hydrochloride","2-amino-4,6-dichlorophenol hydrochloride",Cl.Nc1cc(Cl)cc(Cl)c1O,Cl.Nc1cc(Cl)cc(Cl)c1O,"InChI=1/C6H5Cl2NO.ClH/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H,9H2;1H",C6H5Cl2NO.ClH,,,,,,KERIIOGUYVYCCE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.212,227-733-0,5961-00-2,"1,11-diaminoundecan-6-ol","1,11-diaminoundecan-6-ol",NCCCCCC(O)CCCCCN,NCCCCCC(O)CCCCCN,"InChI=1/C11H26N2O/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h11,14H,1-10,12-13H2",C11H26N2O,,,,,,JSVZYRZGURPUGR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.213,227-734-6,5961-55-7,4-methoxy-1-naphthonitrile,4-methoxy-1-naphthonitrile,COc1ccc(C#N)c2ccccc12,COc1ccc(C#N)c2ccccc12,"InChI=1/C12H9NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,1H3",C12H9NO,,,,,,FRCZUGOIGNQOID-UHFFFAOYSA-N,,,,,,,,,,,
100.025.214,227-735-1,5961-59-1,N-methyl-4-anisidine,4-methoxy-N-methylaniline,CNc1ccc(OC)cc1,CNc1ccc(OC)cc1,"InChI=1/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3",C8H11NO,,,,,,JFXDIXYFXDOZIT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.215,227-736-7,2/07/5962,(cyanomethyl)urea,1-(cyanomethyl)urea,NC(=O)NCC#N,NC(=O)NCC#N,"InChI=1/C3H5N3O/c4-1-2-6-3(5)7/h2H2,(H3,5,6,7)",C3H5N3O,,,,,,OYJHKYGWYYYRBV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.218,227-739-3,5962-55-0,Bis(phenylsulphonyl) disulphide,"1,4-diphenyltetrasulfane 1,1,4,4-tetraoxide",O=S(=O)(SSS(=O)(=O)c1ccccc1)c2ccccc2,O=S(=O)(SSS(=O)(=O)c1ccccc1)c2ccccc2,"InChI=1/C12H10O4S4/c13-19(14,11-7-3-1-4-8-11)17-18-20(15,16)12-9-5-2-6-10-12/h1-10H",C12H10O4S4,,,,,,LTWQZHNNDVAERL-UHFFFAOYSA-N,,,,,,,,,,,
100.025.224,227-746-1,3/09/5965,Fosfestrol disodium,fosfestrol disodium,[Na+].[Na+].O=P(O)(O)Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OP(O)(O)=O)cc2,[Na+].[Na+].O=P(O)(O)Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OP(O)(O)=O)cc2,"InChI=1/C18H22O8P2.2Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;/q;2*+1",C18H22O8P2.2Na,,,,,,OPZDSBAHQHNXRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.234,227-757-1,5967-90-8,Thiomorpholine hydrochloride,thiomorpholine hydrochloride,Cl.C1CSCCN1,Cl.C1CSCCN1,"InChI=1/C4H9NS.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H",C4H9NS.ClH,,,,,,QSJAHJYXDRUZMY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.235,227-758-7,5968-71-8,"Hydrogen triiodide, compound with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)","hydrogen triiodide, compound with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)",[I-].[I-].[I-].CN1C(=O)N(C)c2ncn(C)c2C1=O,[I-].[I-].[I-].CN1C(=O)N(C)c2ncn(C)c2C1=O,"InChI=1/C8H10N4O2.3HI/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;;/h4H,1-3H3;3*1H/p-3",C8H10N4O2.HI3,,,,,,ZZDHCLBPFHQRSF-UHFFFAOYSA-K,,,,,,,,,,,
100.024.814,227-295-0,5769-13-1,trans-4-phenylcyclohexan-1-ol,4-phenylcyclohexanol,O[C@@H]1CC[C@H](CC1)c2ccccc2,O[C@@H]1CC[C@H](CC1)c2ccccc2,"InChI=1/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2",C12H16O,,,,,,YVVUSIMLVPJXMY-HAQNSBGRSA-N,,,,,,,,,,,
100.024.815,227-296-6,6/03/5770,Tridecan-6-ol,tridecan-6-ol,CCCCCCCC(O)CCCCC,CCCCCCCC(O)CCCCC,"InChI=1/C13H28O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h13-14H,3-12H2,1-2H3",C13H28O,,,,,,HAIXKKLECRWLIX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.816,227-297-1,5770-59-2,"2,3-dihydro-1,4-benzodioxin-2-ol","2,3-dihydro-1,4-benzodioxin-2-ol",OC1COc2ccccc2O1,OC1COc2ccccc2O1,"InChI=1/C8H8O3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-4,8-9H,5H2",C8H8O3,,,,,,XPLAHBQULJNNLX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.822,227-303-2,5779-94-2,"2,5-dimethylbenzaldehyde","2,5-dimethylbenzaldehyde",Cc1ccc(C)c(C=O)c1,Cc1ccc(C)c(C=O)c1,"InChI=1/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3",C9H10O,,,,,,SMUVABOERCFKRW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.824,227-305-3,5780-34-7,"1-aza-4,6-dioxabicyclo[3.3.0]octane","tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole",C1CN2CCOC2O1,C1CN2CCOC2O1,"InChI=1/C5H9NO2/c1-3-7-5-6(1)2-4-8-5/h5H,1-4H2",C5H9NO2,,,,,,LTMRLZSHHUFQDP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.826,227-307-4,5781-53-3,Methyl chloroglyoxylate,methyl chloro(oxo)acetate,COC(=O)C(=O)Cl,COC(=O)C(=O)Cl,InChI=1/C3H3ClO3/c1-7-3(6)2(4)5/h1H3,C3H3ClO3,,,,,,ZXUQEPZWVQIOJE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.829,227-311-6,5785-43-3,Calcium bis(dimethylarsinate),calcium bis(dimethylarsinate),[Ca+2].C[As](=O)(C)[O-].C[As](=O)(C)[O-],[Ca+2].C[As](=O)(C)[O-].C[As](=O)(C)[O-],"InChI=1/2C2H7AsO2.Ca/c2*1-3(2,4)5;/h2*1-2H3,(H,4,5);/q;;+2/p-2",C2H7AsO2.1/2Ca,,,,,,PUHDXXBRQTYHRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.024.846,227-329-4,5792-36-9,"2',4'-dihydroxypropiophenone","1-(2,4-dihydroxyphenyl)propan-1-one",CCC(=O)c1ccc(O)cc1O,CCC(=O)c1ccc(O)cc1O,"InChI=1/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,10,12H,2H2,1H3",C9H10O3,,,,,,LLBBBYLDTDJMNU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.399,229-038-8,6407-71-2,3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]-N-naphthylnaphthalene-2-carboxamide,3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]-N-1-naphthyl-2-naphthamide,COc5cc(ccc5N=Nc3c4ccccc4cc(C(=O)Nc2cccc1ccccc12)c3O)[N+]([O-])=O,COc5cc(ccc5N=Nc3c4ccccc4cc(C(=O)Nc2cccc1ccccc12)c3O)[N+]([O-])=O,"InChI=1/C28H20N4O5/c1-37-25-16-19(32(35)36)13-14-24(25)30-31-26-21-11-5-3-8-18(21)15-22(27(26)33)28(34)29-23-12-6-9-17-7-2-4-10-20(17)23/h2-16,33H,1H3,(H,29,34)",C28H20N4O5,,,,,,CJDUJPKPZLUDQT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.402,229-041-4,6407-77-8,"2,4-dihydro-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]-2-phenyl-3H-pyrazol-3-one","5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c3cc(C)ccc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,[O-][N+](=O)c3cc(C)ccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C17H15N5O3/c1-11-8-9-14(15(10-11)22(24)25)18-19-16-12(2)20-21(17(16)23)13-6-4-3-5-7-13/h3-10,16H,1-2H3",C17H15N5O3,,,,,,GNRVYZDPVPJTCP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.423,229-065-5,6408-71-5,"Sodium 1,4-diamino-9,10-dihydro-9,10-dioxo-3-phenoxyanthracene-2-sulphonate","sodium 1,4-diamino-9,10-dioxo-3-phenoxy-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c(Oc2ccccc2)c(c(N)c3C(=O)c4ccccc4C(=O)c13)S(=O)(=O)[O-],[Na+].Nc1c(Oc2ccccc2)c(c(N)c3C(=O)c4ccccc4C(=O)c13)S(=O)(=O)[O-],"InChI=1/C20H14N2O6S.Na/c21-15-13-14(18(24)12-9-5-4-8-11(12)17(13)23)16(22)20(29(25,26)27)19(15)28-10-6-2-1-3-7-10;/h1-9H,21-22H2,(H,25,26,27);/q;+1/p-1",C20H14N2O6S.Na,,,,,,VEDWALQVJHMFCC-UHFFFAOYSA-M,,,,,,,,,,,
100.026.424,229-066-0,6408-72-6,"1,4-diamino-2,3-diphenoxyanthraquinone","1,4-diamino-2,3-diphenoxy-9,10-anthraquinone",Nc1c(Oc2ccccc2)c(Oc3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c14,Nc1c(Oc2ccccc2)c(Oc3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C26H18N2O4/c27-21-19-20(24(30)18-14-8-7-13-17(18)23(19)29)22(28)26(32-16-11-5-2-6-12-16)25(21)31-15-9-3-1-4-10-15/h1-14H,27-28H2",C26H18N2O4,,,,,,NZTGGRGGJFCKGG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.253,227-778-6,5978-75-6,9H-fluoren-9-amine hydrochloride,9H-fluoren-9-amine hydrochloride,Cl.NC1c2ccccc2c3ccccc13,Cl.NC1c2ccccc2c3ccccc13,"InChI=1/C13H11N.ClH/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;/h1-8,13H,14H2;1H",C13H11N.ClH,,,,,,SYKJOJSYQSVNOM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.255,227-780-7,5978-95-0,D-idose,D-idose,OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O,OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-ZXXMMSQZSA-N,,,,,,,,,,,
100.029.292,232-221-5,7790-76-3,Dicalcium pyrophosphate,dicalcium diphosphate,[Ca+2].[Ca+2].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Ca+2].[Ca+2].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4",Ca.1/2H4O7P2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12520,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.292,JUNWLZAGQLJVLR-UHFFFAOYSA-J,,,,,,,,,,,
100.029.295,232-224-1,7790-81-0,Cadmium iodate,cadmium diiodate,[Cd+2].[O-]I(=O)=O.[O-]I(=O)=O,[Cd+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Cd.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",Cd.2HIO3,,,,,,BJHNOFIZTODKMI-UHFFFAOYSA-L,,,,,,,,,,,
100.029.298,232-227-8,7790-86-5,Cerium trichloride,cerium(3+) trichloride,[Cl-].[Cl-].[Cl-].[Ce+3],[Cl-].[Cl-].[Cl-].[Ce+3],InChI=1/Ce.3ClH/h;3*1H/q+3;;;/p-3,CeCl3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5704,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.298,VYLVYHXQOHJDJL-UHFFFAOYSA-K,,,,,,,,,,,
100.029.299,232-228-3,7790-87-6,Cerium triiodide,cerium(3+) triiodide,[I-].[I-].[I-].[Ce+3],[I-].[I-].[I-].[Ce+3],InChI=1/Ce.3HI/h;3*1H/q+3;;;/p-3,CeI3,,,,,,ZEDZJUDTPVFRNB-UHFFFAOYSA-K,,,,,,,,,,,
100.029.302,232-232-5,7790-92-3,Hypochlorous acid,hypochlorous acid,OCl,OCl,InChI=1/ClHO/c1-2/h2H,ClHO,,,,,,QWPPOHNGKGFGJK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.305,232-235-1,7790-98-9,Ammonium perchlorate,ammonium perchlorate,[NH4+].[O-]Cl(=O)(=O)=O,[NH4+].[O-]Cl(=O)(=O)=O,"InChI=1/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3",ClHO4.H3N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2135,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.305,HHEFNVCDPLQQTP-UHFFFAOYSA-N,,,,,,,,,,,
100.029.315,232-246-1,7791-26-6,Dichlorodioxouranium,dichloro(dioxo)uranium,Cl[U](=O)(=O)Cl,Cl[U](=O)(=O)Cl,"InChI=1/2ClH.2O.U/h2*1H;;;/q;;;;+2/p-2/rCl2O2U/c1-5(2,3)4",Cl2O2U,,,,,,NSVNKDBYTHQPAS-UHFFFAOYSA-L,,,,,,,,,,,
100.029.319,232-250-3,7796-72-7,"Ethyl 3,3-dimethylpent-4-en-1-oate","ethyl 3,3-dimethylpent-4-enoate",CCOC(=O)CC(C)(C)C=C,CCOC(=O)CC(C)(C)C=C,"InChI=1/C9H16O2/c1-5-9(3,4)7-8(10)11-6-2/h5H,1,6-7H2,2-4H3",C9H16O2,,,,,,ZLDOMUPTDYCDBS-UHFFFAOYSA-N,,,,,,,,,,,
100.029.320,232-251-9,7797-81-1,"2-hydroxy-1H-benz[de]isoquinoline-1,3(2H)-dione","2-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",ON1C(=O)c2cccc3cccc(C1=O)c23,ON1C(=O)c2cccc3cccc(C1=O)c23,"InChI=1/C12H7NO3/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13(11)16/h1-6,16H",C12H7NO3,,,,,,KTWCUGUUDHJVIH-UHFFFAOYSA-N,,,,,,,,,,,
100.029.323,232-255-0,7800-91-1,"5-sulphoisophthalic acid, sodium salt","sodium 2,4-dicarboxybenzenesulfonate",OC(=O)c1ccc(c(c1)C(=O)O)S(=O)(=O)O[Na],OC(=O)c1ccc(c(c1)C(=O)O)S(=O)(=O)O[Na],"InChI=1/C8H6O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1/rC8H5NaO7S/c9-16-17(14,15)6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H6O7S.xNa,,,,,,KCVLTEYALBOUJH-UHFFFAOYSA-M,,,,,,,,,,,
100.024.830,227-312-1,5785-66-0,Alpha-cyclopropylbenzhydrylic alcohol,cyclopropyl(diphenyl)methanol,OC(C1CC1)(c2ccccc2)c3ccccc3,OC(C1CC1)(c2ccccc2)c3ccccc3,"InChI=1/C16H16O/c17-16(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2",C16H16O,,,,,,MFKPHBJFWOOEDT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.834,227-316-3,5786-78-7,"Disodium dihydrogen N,N'-1,2-cyclohexanediylbis[N-(carboxylatemethyl)glycinate]","disodium 2,2'-{cyclohexane-1,2-diylbis[(carboxymethyl)imino]}diacetate (non-preferred name)",OC(=O)CN(CC(=O)O[Na])C1CCCCC1N(CC(=O)O)CC(=O)O[Na],OC(=O)CN(CC(=O)O[Na])C1CCCCC1N(CC(=O)O)CC(=O)O[Na],"InChI=1/C14H22N2O8.2Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2",C14H22N2O8.2Na,,,,,,TVTLKUMLAQUFAS-UHFFFAOYSA-L,,,,,,,,,,,
100.024.836,227-318-4,5787-50-8,Sodium p-tert-butylphenolate,sodium 4-tert-butylphenolate,[Na+].CC(C)(C)c1ccc([O-])cc1,[Na+].CC(C)(C)c1ccc([O-])cc1,"InChI=1/C10H14O.Na/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;/q;+1/p-1",C10H14O.Na,,,,,,QDJPHAPWEUQBKS-UHFFFAOYSA-M,,,,,,,,,,,
100.024.840,227-323-1,5789-24-2,5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxoimidazolidin-4-one,5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxoimidazolidin-4-one,O=C1C(Cc2c[nH]c3ccccc23)NC(=S)N1c4ccccc4,O=C1C(Cc2c[nH]c3ccccc23)NC(=S)N1c4ccccc4,"InChI=1/C18H15N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23)",C18H15N3OS,,,,,,KZXRWWVROVHSPI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.847,227-331-5,5793-84-0,Calcium diphenoxide,calcium bisphenolate,O([Ca]Oc1ccccc1)c2ccccc2,O([Ca]Oc1ccccc1)c2ccccc2,"InChI=1/2C6H6O.Ca/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2",C6H6O.1/2Ca,,,,,,ZMRQTIAUOLVKOX-UHFFFAOYSA-L,,,,,,,,,,,
100.024.851,227-335-7,5793-94-2,Calcium bis(2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl) distearate,calcium bis(2-{[2-(stearoyloxy)propanoyl]oxy}propanoate),CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O[Ca]OC(=O)C(C)OC(=O)C(C)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O[Ca]OC(=O)C(C)OC(=O)C(C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/2C24H44O6.Ca/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h2*20-21H,4-19H2,1-3H3,(H,26,27);/q;;+2/p-2",C24H44O6.1/2Ca,,,,,,OEUVSBXAMBLPES-UHFFFAOYSA-L,,,,,,,,,,,
100.024.853,227-337-8,7/04/5794,"(1S)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane","2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane",CC1(C)[C@H]2CCC(C2)C1=C,CC1(C)[C@H]2CCC(C2)C1=C,"InChI=1/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,,,,,,CRPUJAZIXJMDBK-GKAPJAKFSA-N,,,,,,,,,,,
100.024.859,227-344-6,5796-85-0,Diperoxydecanedioic acid,decanediperoxoic acid,OOC(=O)CCCCCCCCC(=O)OO,OOC(=O)CCCCCCCCC(=O)OO,"InChI=1/C10H18O6/c11-9(15-13)7-5-3-1-2-4-6-8-10(12)16-14/h13-14H,1-8H2",C10H18O6,,,,,,UNWDCFHEVIWFCW-UHFFFAOYSA-N,,,,,,,,,,,
100.024.860,227-345-1,5798-41-4,Bismuth potassium tartrate,-,[K+].[BiH3+3].OC(C(O)C(=O)[O-])C(=O)[O-],[K+].[BiH3+3].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Bi.K.3H/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;/q;+3;+1;;;/p-2/rC4H6O6.BiH3.K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H3;/q;+3;+1/p-2",C4H6O6.Bi.K,,,,,,IPTCTNIQHWYBTN-UHFFFAOYSA-L,,,,,,,,,,,
100.024.861,227-346-7,5798-47-0,"Bismuth valerate, basic",bismuth(3+) tripentanoate,[BiH3+3].CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-],[BiH3+3].CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-],"InChI=1/3C5H10O2.Bi.3H/c3*1-2-3-4-5(6)7;;;;/h3*2-4H2,1H3,(H,6,7);;;;/q;;;+3;;;/p-3/r3C5H10O2.BiH3/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);1H3/q;;;+3/p-3",C5H9BiO3,,,,,,WFACHQTYGFHAFC-UHFFFAOYSA-K,,,,,,,,,,,
100.024.862,227-347-2,5798-75-4,Ethyl 4-bromobenzoate,ethyl 4-bromobenzoate,CCOC(=O)c1ccc(Br)cc1,CCOC(=O)c1ccc(Br)cc1,"InChI=1/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",C9H9BrO2,,,,,,XZIAFENWXIQIKR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.187,243-122-1,19518-94-6,"N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(dimethylamino)propionamide, compound with 4-butyl-1,2-diphenylpyrazolidine-3,5-dione (1:1)","N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~,N~2~-dimethylalaninamide - 4-butyl-1,2-diphenylpyrazolidine-3,5-dione (1:1)",CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.CC(N(C)C)C(=O)NC4=C(C)N(C)N(C4=O)c5ccccc5,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.CC(N(C)C)C(=O)NC4=C(C)N(C)N(C4=O)c5ccccc5,"InChI=1/C19H20N2O2.C16H22N4O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-11-14(17-15(21)12(2)18(3)4)16(22)20(19(11)5)13-9-7-6-8-10-13/h4-13,17H,2-3,14H2,1H3;6-10,12H,1-5H3,(H,17,21)",C19H20N2O2.C16H22N4O2,,,,,,HBPXQSCTBJGLRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.196,243-132-6,19525-20-3,Tiabendazole hydrochloride,"2-(1,3-thiazol-4-yl)-1H-benzimidazole hydrochloride",Cl.c1ccc2[nH]c(nc2c1)c3cscn3,Cl.c1ccc2[nH]c(nc2c1)c3cscn3,"InChI=1/C10H7N3S.ClH/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;/h1-6H,(H,12,13);1H",C10H7N3S.xClH,,,,,,XRBJCVRLNRBXHG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.732,242-622-7,18850-35-6,"8-chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one","8-chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one",Clc1ccc2SCCCC(=O)Nc2c1,Clc1ccc2SCCCC(=O)Nc2c1,"InChI=1/C10H10ClNOS/c11-7-3-4-9-8(6-7)12-10(13)2-1-5-14-9/h3-4,6H,1-2,5H2,(H,12,13)",C10H10ClNOS,,,,,,WTVBWSODDCUAAV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.737,242-627-4,18855-52-2,Tetraethyl [(dimethylamino)methylene]bisphosphonate,tetraethyl [(dimethylamino)methylene]bis(phosphonate),CCOP(=O)(OCC)C(N(C)C)P(=O)(OCC)OCC,CCOP(=O)(OCC)C(N(C)C)P(=O)(OCC)OCC,"InChI=1/C11H27NO6P2/c1-7-15-19(13,16-8-2)11(12(5)6)20(14,17-9-3)18-10-4/h11H,7-10H2,1-6H3",C11H27NO6P2,,,,,,SQDDGOVNJMIFFT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.739,242-630-0,18856-04-7,Dimethylsilylene distearate,dimethylsilanediyl dioctadecanoate,CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C38H76O4Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39)41-43(3,4)42-38(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-36H2,1-4H3",C38H76O4Si,,,,,,IAJABPQCIRWNLU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.215,245-353-3,22961-46-2,"Trisodium 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium 4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4ccc(N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4ccc(N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(c4)S([O-])(=O)=O,"InChI=1/C19H12Cl2N8O9S2.3Na/c20-17-23-18(21)25-19(24-17)22-8-1-6-11(12(7-8)40(36,37)38)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;/q;3*+1/p-3",C19H12Cl2N8O9S2.3Na,,,,,,RHHJXTGDVDXBLV-UHFFFAOYSA-K,,,,,,,,,,,
100.041.216,245-354-9,22963-62-8,"2,3,5,6-tetrachloro-4-(methylthio)pyridine","2,3,5,6-tetrachloro-4-(methylsulfanyl)pyridine",CSc1c(Cl)c(Cl)nc(Cl)c1Cl,CSc1c(Cl)c(Cl)nc(Cl)c1Cl,InChI=1/C6H3Cl4NS/c1-12-4-2(7)5(9)11-6(10)3(4)8/h1H3,C6H3Cl4NS,,,,,,FETMKMGDUQNPLN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.225,245-364-3,22982-78-1,"(isopropyl)[(1,2,3,4-tetrahydro-6-methyl-7-nitro-2-quinolyl)methyl]ammonium methanesulphonate","N-[(6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propan-2-aminium methanesulfonate",CC(C)[NH2+]CC1CCc2cc(C)c(cc2N1)[N+](=O)[O-].CS(=O)(=O)[O-],CC(C)[NH2+]CC1CCc2cc(C)c(cc2N1)[N+](=O)[O-].CS(=O)(=O)[O-],"InChI=1/C14H21N3O2.CH4O3S/c1-9(2)15-8-12-5-4-11-6-10(3)14(17(18)19)7-13(11)16-12;1-5(2,3)4/h6-7,9,12,15-16H,4-5,8H2,1-3H3;1H3,(H,2,3,4)",C14H21N3O2.CH4O3S,,,,,,CPELYVXNHLDWEC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.226,245-365-9,22982-86-1,"N-[(1-acetyl-1,2,3,4-tetrahydro-6-methyl-2-quinolyl)methyl]-N-isopropylacetamide","N-[(1-acetyl-6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]-N-isopropylacetamide",CC(C)N(CC1CCc2cc(C)ccc2N1C(=O)C)C(=O)C,CC(C)N(CC1CCc2cc(C)ccc2N1C(=O)C)C(=O)C,"InChI=1/C18H26N2O2/c1-12(2)19(14(4)21)11-17-8-7-16-10-13(3)6-9-18(16)20(17)15(5)22/h6,9-10,12,17H,7-8,11H2,1-5H3",C18H26N2O2,,,,,,VBLMGOZZZOXCTC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.238,245-379-5,23009-76-9,Methyl arabinonate,methyl D-arabinonate,O[C@H](C(=O)OC)[C@H](O)[C@H](O)CO,O[C@H](C(=O)OC)[C@H](O)[C@H](O)CO,"InChI=1/C6H12O6/c1-12-6(11)5(10)4(9)3(8)2-7/h3-5,7-10H,2H2,1H3",C6H12O6,,,,,,JWILWRLEBBNTFH-WDCZJNDASA-N,,,,,,,,,,,
100.041.244,245-385-8,23031-25-6,Terbutaline,"5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol",CC(C)(C)NCC(O)c1cc(O)cc(O)c1,CC(C)(C)NCC(O)c1cc(O)cc(O)c1,"InChI=1/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",C12H19NO3,,,,,,XWTYSIMOBUGWOL-UHFFFAOYSA-N,Positive,AU110101|AU110102|AU110103,[M+H]+,CID10|CID20|CID30,226.1439:152.0703:227.1481|152.0701:153.0725:125.0587|152.0702:125.0596:135.0437,Athens_Univ,,,,,
100.041.247,245-388-4,23031-78-9,"1,2-benzisothiazol-3-amine","1,2-benzisothiazol-3-amine",Nc1nsc2ccccc12,Nc1nsc2ccccc12,"InChI=1/C7H6N2S/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)",C7H6N2S,,,,,,WIJQCPIRWXSWQG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.879,247-183-5,25680-54-0,3-ethyl-(1H)-pyrazin-2-one,3-ethylpyrazin-2(1H)-one,CCC1=NC=CNC1=O,CCC1=NC=CNC1=O,"InChI=1/C6H8N2O/c1-2-5-6(9)8-4-3-7-5/h3-4H,2H2,1H3,(H,8,9)",C6H8N2O,,,,,,USXFUKQCOMJBKF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.187,221-104-4,3004-93-1,2-methyloctanoic acid,2-methyloctanoic acid,CCCCCCC(C)C(=O)O,CCCCCCC(C)C(=O)O,"InChI=1/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",C9H18O2,,,,,,YSEQNZOXHCKLOG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.191,221-109-1,3006-15-3,"Sodium 1,4-dihexyl sulphonatosuccinate","sodium 1,4-bis(hexyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-],"InChI=1/C16H30O7S.Na/c1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2;/h14H,3-13H2,1-2H3,(H,19,20,21);/q;+1/p-1",C16H30O7S.Na,,,,,,WVFDILODTFJAPA-UHFFFAOYSA-M,,,,,,,,,,,
100.019.196,221-114-9,3007-31-6,Didodecylamine,N-dodecyldodecan-1-amine,CCCCCCCCCCCCNCCCCCCCCCCCC,CCCCCCCCCCCCNCCCCCCCCCCCC,"InChI=1/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3",C24H51N,,,,,,MJCJUDJQDGGKOX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.849,227-333-6,5793-87-3,"Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)","calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)",[Ca+2].OC1CC(O)(CC(O)C1O)C(=O)[O-].OC2CC(O)(CC(O)C2O)C(=O)[O-],[Ca+2].OC1CC(O)(CC(O)C1O)C(=O)[O-].OC2CC(O)(CC(O)C2O)C(=O)[O-],"InChI=1/2C7H12O6.Ca/c2*8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h2*3-5,8-10,13H,1-2H2,(H,11,12);/q;;+2/p-2",C7H12O6.1/2Ca,,,,,,LUULGDQBMOTIRA-UHFFFAOYSA-L,,,,,,,,,,,
100.024.854,227-338-3,5794-88-7,2-amino-5-bromobenzoic acid,2-amino-5-bromobenzoic acid,Nc1ccc(Br)cc1C(=O)O,Nc1ccc(Br)cc1C(=O)O,"InChI=1/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)",C7H6BrNO2,,,,,,CUKXRHLWPSBCTI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.863,227-348-8,5798-79-8,Bromo(phenyl)acetonitrile,bromo(phenyl)acetonitrile,BrC(C#N)c1ccccc1,BrC(C#N)c1ccccc1,"InChI=1/C8H6BrN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H",C8H6BrN,,,,,,XUHFBOUSHUEAQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.192,243-127-9,19524-05-1,Sodium 3-bromo-4-hydroxy-5-iodophenylcyanide,-,[Na+].Oc1c(Br)cc(cc1I)C#N,[Na+].Oc1c(Br)cc(cc1I)C#N,"InChI=1/C7H3BrINO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1",C7H3BrINO.Na,,,,,,FNZRXMVEPAKCQF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.193,243-128-4,19524-06-2,4-bromopyridinium chloride,4-bromopyridinium chloride,[Cl-].Brc1cc[nH+]cc1,[Cl-].Brc1cc[nH+]cc1,InChI=1/C5H4BrN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H,C5H4BrN.ClH,,,,,,MPZMVUQGXAOJIK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.199,243-135-2,19528-55-3,Lead palmitate,lead(4+) tetrahexadecanoate,[Pb].OC(=O)CCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C16H32O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h2-15H2,1H3,(H,17,18);;;/q;+4;;/rC16H32O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);1H2/q;+4",C16H32O2.xPb,,,,,,CTTASJIVHHYQOM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.203,243-139-4,19532-92-4,"3-(1-dodecenyl)dihydrofuran-2,5-dione","3-dodec-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCC,"InChI=1/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h11-12,14H,2-10,13H2,1H3",C16H26O3,,,,,,WVRNUXJQQFPNMN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.206,243-143-6,19542-74-6,Sodium N-acetyl-L-cysteinate,sodium 2-acetamido-3-sulfanylpropanoate,[Na+].CC(=O)N[C@@H](CS)C(=O)[O-],[Na+].CC(=O)N[C@@H](CS)C(=O)[O-],"InChI=1/C5H9NO3S.Na/c1-3(7)6-4(2-10)5(8)9;/h4,10H,2H2,1H3,(H,6,7)(H,8,9);/q;+1/p-1",C5H9NO3S.Na,,,,,,KVXPBDQWIXGZEL-WCCKRBBISA-M,,,,,,,,,,,
100.039.209,243-146-2,19547-88-7,"Methyl N,S-diacetyl-L-cysteinate","methyl N,S-diacetyl-L-cysteinate",COC(=O)[C@H](CSC(=O)C)NC(=O)C,COC(=O)[C@H](CSC(=O)C)NC(=O)C,"InChI=1/C8H13NO4S/c1-5(10)9-7(8(12)13-3)4-14-6(2)11/h7H,4H2,1-3H3,(H,9,10)",C8H13NO4S,,,,,,AIDHMQPGKCFCHV-ZETCQYMHSA-N,,,,,,,,,,,
100.039.214,243-152-5,19550-07-3,"2,5-dimethylhexan-3-ol","2,5-dimethylhexan-3-ol",CC(C)CC(O)C(C)C,CC(C)CC(O)C(C)C,"InChI=1/C8H18O/c1-6(2)5-8(9)7(3)4/h6-9H,5H2,1-4H3",C8H18O,,,,,,SNKTZHPOKPYBPT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.218,243-156-7,19550-75-5,"(E)-2,2-dimethylhept-3-ene","2,2-dimethylhept-3-ene",CCC\\C=C\\C(C)(C)C,CCC\C=C\C(C)(C)C,"InChI=1/C9H18/c1-5-6-7-8-9(2,3)4/h7-8H,5-6H2,1-4H3",C9H18,,,,,,BQOCYCICSYUPRF-BQYQJAHWSA-N,,,,,,,,,,,
100.039.220,243-158-8,19550-88-0,"(E)-3,4-dimethylhex-3-ene","3,4-dimethylhex-3-ene",CC\\C(=C(/C)\\CC)\\C,CC\C(=C(/C)\CC)\C,"InChI=1/C8H16/c1-5-7(3)8(4)6-2/h5-6H2,1-4H3",C8H16,,,,,,XTUXVDJHGIEBAA-BQYQJAHWSA-N,,,,,,,,,,,
100.039.228,243-167-7,19578-81-5,"6-benzyl-2,4-dichlorophenol","2-benzyl-4,6-dichlorophenol",Oc1c(Cl)cc(Cl)cc1Cc2ccccc2,Oc1c(Cl)cc(Cl)cc1Cc2ccccc2,"InChI=1/C13H10Cl2O/c14-11-7-10(13(16)12(15)8-11)6-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2",C13H10Cl2O,,,,,,MJTIYXIISJNFMG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.696,249-182-5,28712-61-0,"6,7-dihydro-3-methyl-5H-1-pyrindine","3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine",Cc1cnc2CCCc2c1,Cc1cnc2CCCc2c1,"InChI=1/C9H11N/c1-7-5-8-3-2-4-9(8)10-6-7/h5-6H,2-4H2,1H3",C9H11N,,,,,,HTSNODFENVAWHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.699,249-185-1,28716-15-6,Zinc o-toluate,zinc bis(2-methylbenzoate),[Zn+2].Cc1ccccc1C(=O)[O-].Cc2ccccc2C(=O)[O-],[Zn+2].Cc1ccccc1C(=O)[O-].Cc2ccccc2C(=O)[O-],"InChI=1/2C8H8O2.Zn/c2*1-6-4-2-3-5-7(6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Zn,,,,,,YYZBTDSWNXMQSM-UHFFFAOYSA-L,,,,,,,,,,,
100.044.704,249-190-9,28722-25-0,Thiodiethylene diacetoacetate,"2-[(2-acetyl-3-oxobutanoyl)oxy]-1-({1,2-bis[(2-acetyl-3-oxobutanoyl)oxy]ethyl}sulfanyl)ethyl 2-acetyl-3-oxobutanoate (non-preferred name)",CC(=O)C(C(=O)C)C(=O)OCC(OC(=O)C(C(=O)C)C(=O)C)SC(COC(=O)C(C(=O)C)C(=O)C)OC(=O)C(C(=O)C)C(=O)C,CC(=O)C(C(=O)C)C(=O)OCC(OC(=O)C(C(=O)C)C(=O)C)SC(COC(=O)C(C(=O)C)C(=O)C)OC(=O)C(C(=O)C)C(=O)C,"InChI=1/C28H34O16S/c1-11(29)21(12(2)30)25(37)41-9-19(43-27(39)23(15(5)33)16(6)34)45-20(44-28(40)24(17(7)35)18(8)36)10-42-26(38)22(13(3)31)14(4)32/h19-24H,9-10H2,1-8H3",C12H18O6S,,,,,,ORIMSSAVRBFOSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.705,249-191-4,28727-50-6,"N-(1,3-dimethylbutyl)-N'-(methylphenyl)benzene-1,4-diamine","N-(1,3-dimethylbutyl)-N'-(2-methylphenyl)benzene-1,4-diamine",CC(C)CC(C)Nc1ccc(Nc2ccccc2C)cc1,CC(C)CC(C)Nc1ccc(Nc2ccccc2C)cc1,"InChI=1/C19H26N2/c1-14(2)13-16(4)20-17-9-11-18(12-10-17)21-19-8-6-5-7-15(19)3/h5-12,14,16,20-21H,13H2,1-4H3",C19H26N2,,,,,,UGEKKEKKHURDQF-UHFFFAOYSA-N,,,,,,,,,,,
100.029.327,232-259-2,7803-49-8,Hydroxylamine,hydroxylamine,NO,NO,"InChI=1/H3NO/c1-2/h2H,1H2",H3NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16246,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.327,AVXURJPOCDRRFD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.795,229-473-3,6552-46-1,a-cyclopropyl-4-methylbenzyl alcohol,cyclopropyl(4-methylphenyl)methanol,Cc1ccc(cc1)C(O)C2CC2,Cc1ccc(cc1)C(O)C2CC2,"InChI=1/C11H14O/c1-8-2-4-9(5-3-8)11(12)10-6-7-10/h2-5,10-12H,6-7H2,1H3",C11H14O,,,,,,MRBYWQHXPYOYEW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.799,229-478-0,6553-83-9,Pentyl cyclohexanecarboxylate,pentyl cyclohexanecarboxylate,CCCCCOC(=O)C1CCCCC1,CCCCCOC(=O)C1CCCCC1,"InChI=1/C12H22O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h11H,2-10H2,1H3",C12H22O2,,,,,,QLFARUWYJWNPLX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.800,229-479-6,6553-96-4,"2,4,6-triisopropylbenzenesulphonyl chloride","2,4,6-triisopropylbenzenesulfonyl chloride",CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Cl,CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Cl,"InChI=1/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3",C15H23ClO2S,,,,,,JAPYIBBSTJFDAK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.808,229-488-5,6561-39-3,Hexyl nonan-1-oate,hexyl nonanoate,CCCCCCCCC(=O)OCCCCCC,CCCCCCCCC(=O)OCCCCCC,"InChI=1/C15H30O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-14H2,1-2H3",C15H30O2,,,,,,GPHBCFMWKGZPRP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.814,229-494-8,6574-99-8,"3,4-dichlorobenzonitrile","3,4-dichlorobenzonitrile",Clc1ccc(cc1Cl)C#N,Clc1ccc(cc1Cl)C#N,InChI=1/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,C7H3Cl2N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11998,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.814,KUWBYWUSERRVQP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.819,229-500-9,6/10/6575,2-chloro-6-methoxybenzonitrile,2-chloro-6-methoxybenzonitrile,COc1cccc(Cl)c1C#N,COc1cccc(Cl)c1C#N,"InChI=1/C8H6ClNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3",C8H6ClNO,,,,,,YRGCKBHUZNQXEL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.820,229-501-4,7/11/6575,2-amino-6-chlorobenzonitrile,2-amino-6-chlorobenzonitrile,Nc1cccc(Cl)c1C#N,Nc1cccc(Cl)c1C#N,"InChI=1/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2",C7H5ClN2,,,,,,MEJVTQKBWPYBFG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.823,229-505-6,6576-51-8,N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride,N-[5-({5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-formamido-1-methyl-1H-pyrrole-2-carboxamide hydrochloride,Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,"InChI=1/C22H27N9O4.ClH/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24;/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34);1H",C22H27N9O4.ClH,,,,,,SFYSJFJQEGCACQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.825,229-507-7,6579-55-1,1-[(2-hydroxyethyl)amino]propan-2-ol,1-[(2-hydroxyethyl)amino]propan-2-ol,CC(O)CNCCO,CC(O)CNCCO,"InChI=1/C5H13NO2/c1-5(8)4-6-2-3-7/h5-8H,2-4H2,1H3",C5H13NO2,,,,,,GBAXGHVGQJHFQL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.826,229-508-2,6581-57-3,"Tetrahydro-2,6-dimethoxy-2H-pyran","2,6-dimethoxytetrahydro-2H-pyran",COC1CCCC(OC)O1,COC1CCCC(OC)O1,"InChI=1/C7H14O3/c1-8-6-4-3-5-7(9-2)10-6/h6-7H,3-5H2,1-2H3",C7H14O3,,,,,,DNLONCVMTWHJOV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.831,229-514-5,8/06/6583,"4-nitro-1,2,3-benzothiadiazole","4-nitro-1,2,3-benzothiadiazole",[O-][N+](=O)c1cccc2snnc12,[O-][N+](=O)c1cccc2snnc12,InChI=1/C6H3N3O2S/c10-9(11)4-2-1-3-5-6(4)7-8-12-5/h1-3H,C6H3N3O2S,,,,,,WEAQHTFUJJMQTO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.832,229-515-0,6585-70-2,"5ß,6ß-epoxy-3ß-hydroxypregnan-20-one","3-hydroxy-5,6-epoxypregnan-20-one",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C,"InChI=1/C21H32O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h13-18,23H,4-11H2,1-3H3",C21H32O3,,,,,,QLULPRPVLIPVFS-HUPPADNKSA-N,,,,,,,,,,,
100.026.833,229-516-6,6/05/6586,"3,7-bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride, compound with zinc chloride","3,7-bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C,[Cl-].[Cl-].[Cl-].[Zn+2].CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C,"InChI=1/C18H22N3S.3ClH.Zn/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;;;;/h7-10,19-20H,5-6H2,1-4H3;3*1H;/q+1;;;;+2/p-3",C18H22N3S.xCl2Zn.Cl,,,,,,GGKWUSWRGRCLEV-UHFFFAOYSA-K,,,,,,,,,,,
100.026.836,229-519-2,6588-16-5,(p-tolyl)thiophosphonoyl dichloride,(4-methylphenyl)phosphonothioic dichloride,Cc1ccc(cc1)P(=S)(Cl)Cl,Cc1ccc(cc1)P(=S)(Cl)Cl,"InChI=1/C7H7Cl2PS/c1-6-2-4-7(5-3-6)10(8,9)11/h2-5H,1H3",C7H7Cl2PS,,,,,,SHHXFAQJKCJMOT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.198,243-134-7,19526-81-9,Disodium 5-hydroxy-6-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonate,disodium 5-hydroxy-6-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].COc3ccc(cc3N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].COc3ccc(cc3N=Nc2ccc1c(cccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C19H18N2O11S3.2Na/c1-31-17-8-5-12(33(23,24)10-9-32-35(28,29)30)11-16(17)21-20-15-7-6-13-14(19(15)22)3-2-4-18(13)34(25,26)27;;/h2-8,11,22H,9-10H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C19H18N2O11S3.2Na,,,,,,REBDFGDYHZDZKK-UHFFFAOYSA-L,,,,,,,,,,,
100.039.208,243-145-7,19545-95-0,"4-chloro-3,5-xylyloxyacetic acid","(4-chloro-2,5-dimethylphenoxy)acetic acid",Cc1cc(OCC(=O)O)c(C)cc1Cl,Cc1cc(OCC(=O)O)c(C)cc1Cl,"InChI=1/C10H11ClO3/c1-6-4-9(14-5-10(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13)",C10H11ClO3,,,,,,FYSOXVMOZFIWIU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.213,243-150-4,19549-84-9,"3,5-dimethylheptan-4-one","3,5-dimethylheptan-4-one",CCC(C)C(=O)C(C)CC,CCC(C)C(=O)C(C)CC,"InChI=1/C9H18O/c1-5-7(3)9(10)8(4)6-2/h7-8H,5-6H2,1-4H3",C9H18O,,,,,,VZXXYILNWWRSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.219,243-157-2,19550-87-9,"(Z)-3,4-dimethylhex-3-ene","3,4-dimethylhex-3-ene",CC\\C(=C(\\C)/CC)\\C,CC\C(=C(\C)/CC)\C,"InChI=1/C8H16/c1-5-7(3)8(4)6-2/h5-6H2,1-4H3",C8H16,,,,,,XTUXVDJHGIEBAA-FPLPWBNLSA-N,,,,,,,,,,,
100.039.227,243-166-1,19576-38-6,"a,a,a',a',a'',a''-hexamethylbenzene-1,3,5-trimethanol","2,2',2''-benzene-1,3,5-triyltripropan-2-ol",CC(C)(O)c1cc(cc(c1)C(C)(C)O)C(C)(C)O,CC(C)(O)c1cc(cc(c1)C(C)(C)O)C(C)(C)O,"InChI=1/C15H24O3/c1-13(2,16)10-7-11(14(3,4)17)9-12(8-10)15(5,6)18/h7-9,16-18H,1-6H3",C15H24O3,,,,,,FMCWGKXGRNQNLD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.229,243-168-2,19581-24-9,2-(4-nitrophenylthio)pyrimidine,2-[(4-nitrophenyl)sulfanyl]pyrimidine,[O-][N+](=O)c1ccc(Sc2ncccn2)cc1,[O-][N+](=O)c1ccc(Sc2ncccn2)cc1,InChI=1/C10H7N3O2S/c14-13(15)8-2-4-9(5-3-8)16-10-11-6-1-7-12-10/h1-7H,C10H7N3O2S,,,,,,VFZRGLKTZAKXCP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.702,249-188-8,28721-07-5,Oxcarbazepine,"10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide",NC(=O)N1c2ccccc2CC(=O)c3ccccc13,NC(=O)N1c2ccccc2CC(=O)c3ccccc13,"InChI=1/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)",C15H12N2O2,,,,,,CTRLABGOLIVAIY-UHFFFAOYSA-N,Negative,,,,,,SM858353,[M-H]-,HCD35,208.0768:251.0827:207.069,CASMI_2016
100.044.708,249-195-6,28748-99-4,"4,5,6,7-tetrahydro-3-phenyl-1H-indazole","3-phenyl-4,5,6,7-tetrahydro-1H-indazole",C1CCc2c(C1)[nH]nc2c3ccccc3,C1CCc2c(C1)[nH]nc2c3ccccc3,"InChI=1/C13H14N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-3,6-7H,4-5,8-9H2,(H,14,15)",C13H14N2,,,,,,HZICBKDUOSCVSH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.711,249-198-2,28752-82-1,o-(allyloxy)benzaldehyde,2-(allyloxy)benzaldehyde,C=CCOc1ccccc1C=O,C=CCOc1ccccc1C=O,"InChI=1/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,8H,1,7H2",C10H10O2,,,,,,BXCJDECTRRMSCV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.712,249-199-8,28753-07-3,1-chloroethanesulphinic acid,1-chloroethanesulfinic acid,CC(Cl)S(=O)O,CC(Cl)S(=O)O,"InChI=1/C2H5ClO2S/c1-2(3)6(4)5/h2H,1H3,(H,4,5)",C2H5ClO2S,,,,,,ZUQKROYNVKICEM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.713,249-200-1,28754-28-1,2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]quinazolin-4(1H)-one,2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]quinazolin-4(1H)-one,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C3=NC(=O)c4ccccc4N3,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C3=NC(=O)c4ccccc4N3,"InChI=1/C21H19N3O3/c1-3-24(4-2)14-10-9-13-11-16(21(26)27-18(13)12-14)19-22-17-8-6-5-7-15(17)20(25)23-19/h5-12H,3-4H2,1-2H3,(H,22,23,25)",C21H19N3O3,,,,,,WFUSRMKEOWVDPU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.716,249-203-8,28763-77-1,"Benzofuro[3,2-c][1]benzoxepin-6(12H)-one","[1]benzofuro[3,2-c][1]benzoxepin-6(12H)-one",O=C1c2oc3ccccc3c2COc4ccccc14,O=C1c2oc3ccccc3c2COc4ccccc14,"InChI=1/C16H10O3/c17-15-11-6-2-3-7-13(11)18-9-12-10-5-1-4-8-14(10)19-16(12)15/h1-8H,9H2",C16H10O3,,,,,,LIQMKBIZDZHRDK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.718,249-205-9,28772-56-7,"3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2-benzopyrone",3-[3-(4'-bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one,OC(CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3)c4ccc(cc4)c5ccc(Br)cc5,OC(CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3)c4ccc(cc4)c5ccc(Br)cc5,"InChI=1/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2",C30H23BrO4,,,,,,OWNRRUFOJXFKCU-UHFFFAOYSA-N,Negative,,,,,,EQ365651|EQ365652|EQ365653|EQ365654|EQ365655|EQ365656|EQ365657|EQ365658|EQ365659,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,525.0706|525.0708:250.0636:78.9189|250.0637:78.9189:93.0346|78.9189:93.0346:250.0636|78.9189:93.0346:117.0347|78.9189:93.0346:117.0346|78.9189:93.0346:117.0347|78.9189:93.0346:65.0397|78.9189:65.0397:93.0346,Eawag
100.044.730,249-219-5,28782-78-7,"N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]glycine",N-(tert-butoxycarbonyl)-L-alanylglycine,C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O,C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O,"InChI=1/C10H18N2O5/c1-6(8(15)11-5-7(13)14)12-9(16)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,16)(H,13,14)",C10H18N2O5,,,,,,PBGVVLQMNSPMKN-LURJTMIESA-N,,,,,,,,,,,
100.044.731,249-220-0,28783-41-7,"4,5,6,7-tetrahydrothieno[3,2-c]pyridinium chloride","4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride",[Cl-].C1Cc2sccc2C[NH2+]1,[Cl-].C1Cc2sccc2C[NH2+]1,"InChI=1/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4,8H,1,3,5H2;1H",C7H9NS.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5733,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.731,QMXCTKPNQFJZGK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.732,249-221-6,28785-06-0,p-propylbenzaldehyde,4-propylbenzaldehyde,CCCc1ccc(C=O)cc1,CCCc1ccc(C=O)cc1,"InChI=1/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3",C10H12O,,,,,,MAUCRURSQMOFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.200,221-119-6,3007-91-8,Ethyl 2-naphthoate,ethyl 2-naphthoate,CCOC(=O)c1ccc2ccccc2c1,CCOC(=O)c1ccc2ccccc2c1,"InChI=1/C13H12O2/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3",C13H12O2,,,,,,HQKSINSCHCDMLS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.202,221-121-7,3008-39-7,"Cycloheptane-1,2-dione","cycloheptane-1,2-dione",O=C1CCCCCC1=O,O=C1CCCCCC1=O,InChI=1/C7H10O2/c8-6-4-2-1-3-5-7(6)9/h1-5H2,C7H10O2,,,,,,SLOCIJOTBVAMAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.206,221-125-9,3008-87-5,"4-(cyclohexylamino)-2-methyl-7H-dibenz[f,ij]isoquinolin-7-one","4-(cyclohexylamino)-2-methyl-7H-naphtho[1,2,3-de]quinolin-7-one",Cc1cc2c3ccccc3C(=O)c4ccc(NC5CCCCC5)c(n1)c24,Cc1cc2c3ccccc3C(=O)c4ccc(NC5CCCCC5)c(n1)c24,"InChI=1/C23H22N2O/c1-14-13-19-16-9-5-6-10-17(16)23(26)18-11-12-20(22(24-14)21(18)19)25-15-7-3-2-4-8-15/h5-6,9-13,15,25H,2-4,7-8H2,1H3",C23H22N2O,,,,,,SUVPVSBKLBGBFW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.214,221-134-8,3010-45-5,1-(3-chlorophenylazo)-2-naphthol,1-[(3-chlorophenyl)diazenyl]-2-naphthol,Clc3cc(N=Nc1c2ccccc2ccc1O)ccc3,Clc3cc(N=Nc1c2ccccc2ccc1O)ccc3,"InChI=1/C16H11ClN2O/c17-12-5-3-6-13(10-12)18-19-16-14-7-2-1-4-11(14)8-9-15(16)20/h1-10,20H",C16H11ClN2O,,,,,,VOHUMYRTYPGHSH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.216,221-136-9,3010-63-7,"4-[(4-ethoxyphenyl)azo]-N,N-diethylaniline","4-[(4-ethoxyphenyl)diazenyl]-N,N-diethylaniline",CCOc1ccc(cc1)N=Nc2ccc(cc2)N(CC)CC,CCOc1ccc(cc1)N=Nc2ccc(cc2)N(CC)CC,"InChI=1/C18H23N3O/c1-4-21(5-2)17-11-7-15(8-12-17)19-20-16-9-13-18(14-10-16)22-6-3/h7-14H,4-6H2,1-3H3",C18H23N3O,,,,,,AYKNBEUSHQHYSX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.217,221-137-4,3010-80-8,"4,4',4''-trichlorotrityl alcohol",tris(4-chlorophenyl)methanol,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,"InChI=1/C19H13Cl3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H",C19H13Cl3O,,,,,,BPFKTJMHOWDJKI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.218,221-139-5,3010-81-9,"4,4',4''-trimethoxytrityl alcohol",tris(4-methoxyphenyl)methanol,COc1ccc(cc1)C(O)(c2ccc(OC)cc2)c3ccc(OC)cc3,COc1ccc(cc1)C(O)(c2ccc(OC)cc2)c3ccc(OC)cc3,"InChI=1/C22H22O4/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15,23H,1-3H3",C22H22O4,,,,,,JCLOLVVCZNYDIP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.220,221-141-6,3011-34-5,4-hydroxy-3-nitrobenzaldehyde,4-hydroxy-3-nitrobenzaldehyde,Oc1ccc(C=O)cc1[N+](=O)[O-],Oc1ccc(C=O)cc1[N+](=O)[O-],"InChI=1/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H",C7H5NO4,,,,,,YTHJCZRFJGXPTL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.222,221-143-7,3011-89-0,Aklomide,2-chloro-4-nitrobenzamide,NC(=O)c1ccc(cc1Cl)[N+](=O)[O-],NC(=O)c1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)",C7H5ClN2O3,,,,,,GFGSZUNNBQXGMK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.224,221-145-8,3012-50-8,1-(2-benzothiazolylazo)-2-naphthol,"1-(1,3-benzothiazol-2-yldiazenyl)-2-naphthol",Oc4ccc1ccccc1c4N=Nc2nc3ccccc3s2,Oc4ccc1ccccc1c4N=Nc2nc3ccccc3s2,"InChI=1/C17H11N3OS/c21-14-10-9-11-5-1-2-6-12(11)16(14)19-20-17-18-13-7-3-4-8-15(13)22-17/h1-10,21H",C17H11N3OS,,,,,,NXFVJTJWPUVTKK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.228,221-150-5,3015-50-7,Sodium tridecanoate,sodium tridecanoate,[Na+].[Na+].[Na+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Na+].[Na+].[Na+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/3C10H20O2.3Na/c3*1-2-3-4-5-6-7-8-9-10(11)12;;;/h3*2-9H2,1H3,(H,11,12);;;/q;;;3*+1/p-3",C13H26O2.Na,,,,,,KDYGOYZLPGAGLF-UHFFFAOYSA-K,,,,,,,,,,,
100.021.731,223-903-3,4114-31-2,Ethyl carbazate,ethyl hydrazinecarboxylate,CCOC(=O)NN,CCOC(=O)NN,"InChI=1/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6)",C3H8N2O2,,,,,,VYSYZMNJHYOXGN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.733,223-905-4,4116-00-1,"3,3',3''-phosphinylidynetrispropionamide","3,3',3''-phosphoryltripropanamide",NC(=O)CCP(=O)(CCC(=O)N)CCC(=O)N,NC(=O)CCP(=O)(CCC(=O)N)CCC(=O)N,"InChI=1/C9H18N3O4P/c10-7(13)1-4-17(16,5-2-8(11)14)6-3-9(12)15/h1-6H2,(H2,10,13)(H2,11,14)(H2,12,15)",C9H18N3O4P,,,,,,RTPJQJWHYUSMRD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.736,223-909-6,4117-33-3,Ethyl L-lysinate,ethyl L-lysinate,CCOC(=O)[C@@H](N)CCCCN,CCOC(=O)[C@@H](N)CCCCN,"InChI=1/C8H18N2O2/c1-2-12-8(11)7(10)5-3-4-6-9/h7H,2-6,9-10H2,1H3",C8H18N2O2,,,,,,CZEPJJXZASVXQF-ZETCQYMHSA-N,,,,,,,,,,,
100.021.739,223-912-2,4118-16-5,"1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bisanthraquinone","1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]di(9,10-anthraquinone)",O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(n4)c8ccccc8)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(n4)c8ccccc8)cccc13,"InChI=1/C37H21N5O4/c43-31-21-12-4-6-14-23(21)33(45)29-25(31)16-8-18-27(29)38-36-40-35(20-10-2-1-3-11-20)41-37(42-36)39-28-19-9-17-26-30(28)34(46)24-15-7-5-13-22(24)32(26)44/h1-19H,(H2,38,39,40,41,42)",C37H21N5O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16316,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.739,MVIFQPPFCHUSIH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.741,223-914-3,4/12/4121,"Dibutyl 2,2'-thiobisacetate","dibutyl 2,2'-sulfanediyldiacetate",CCCCOC(=O)CSCC(=O)OCCCC,CCCCOC(=O)CSCC(=O)OCCCC,"InChI=1/C12H22O4S/c1-3-5-7-15-11(13)9-17-10-12(14)16-8-6-4-2/h3-10H2,1-2H3",C12H22O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10828,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.741,RIQXZINBEMXOOE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.715,249-202-2,28761-27-5,Undecene,undec-1-ene,CCCCCCCCCC=C,CCCCCCCCCC=C,"InChI=1/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3",C11H22,,,,,,DCTOHCCUXLBQMS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.721,249-209-0,28777-70-0,Tris(tert-butylphenyl) phosphate,tris(2-tert-butylphenyl) phosphate,CC(C)(C)c1ccccc1OP(=O)(Oc2ccccc2C(C)(C)C)Oc3ccccc3C(C)(C)C,CC(C)(C)c1ccccc1OP(=O)(Oc2ccccc2C(C)(C)C)Oc3ccccc3C(C)(C)C,"InChI=1/C30H39O4P/c1-28(2,3)22-16-10-13-19-25(22)32-35(31,33-26-20-14-11-17-23(26)29(4,5)6)34-27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3",C30H39O4P,,,,,,SPUXJWDKFVXXBI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.723,249-211-1,28779-08-0,Tribromobenzene,"1,2,3-tribromobenzene",Brc1cccc(Br)c1Br,Brc1cccc(Br)c1Br,InChI=1/C6H3Br3/c7-4-2-1-3-5(8)6(4)9/h1-3H,C6H3Br3,,,,,,GMVJKSNPLYBFSO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.736,249-225-8,28791-26-6,m-nitro-N-phenylbenzenesulphonamide,3-nitro-N-phenylbenzenesulfonamide,[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc2ccccc2,[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc2ccccc2,"InChI=1/C12H10N2O4S/c15-14(16)11-7-4-8-12(9-11)19(17,18)13-10-5-2-1-3-6-10/h1-9,13H",C12H10N2O4S,,,,,,OXJDTNIWMQCOQT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.737,249-226-3,28795-33-7,1-[2-(ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole,1-[2-(ethylsulfanyl)ethyl]-2-methyl-5-nitro-1H-imidazole,CCSCCn1c(C)ncc1[N+](=O)[O-],CCSCCn1c(C)ncc1[N+](=O)[O-],"InChI=1/C8H13N3O2S/c1-3-14-5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3",C8H13N3O2S,,,,,,MFRJPLQSIRTHSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.434,224-676-3,4443-65-6,11-hydroxy-10-icosanone,11-hydroxyicosan-10-one,CCCCCCCCCC(O)C(=O)CCCCCCCCC,CCCCCCCCCC(O)C(=O)CCCCCCCCC,"InChI=1/C20H40O2/c1-3-5-7-9-11-13-15-17-19(21)20(22)18-16-14-12-10-8-6-4-2/h19,21H,3-18H2,1-2H3",C20H40O2,,,,,,GQTOXQBZLGGQPF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.443,224-686-8,4445-75-4,Potassium 1-hydroxyethanesulphonate,potassium 1-hydroxyethanesulfonate,[K+].CC(O)S(=O)(=O)[O-],[K+].CC(O)S(=O)(=O)[O-],"InChI=1/C2H6O4S.K/c1-2(3)7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1",C2H6O4S.K,,,,,,AVBIPZKMPOZZTO-UHFFFAOYSA-M,,,,,,,,,,,
100.022.449,224-693-6,4450-76-4,Pentyl toluene-4-sulphonate,pentyl 4-methylbenzenesulfonate,CCCCCOS(=O)(=O)c1ccc(C)cc1,CCCCCOS(=O)(=O)c1ccc(C)cc1,"InChI=1/C12H18O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3",C12H18O3S,,,,,,KOUCTZDKTJGHSS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.453,224-697-8,8/02/4454,"1,1,5,5-tetramethoxypentane","1,1,5,5-tetramethoxypentane",COC(CCCC(OC)OC)OC,COC(CCCC(OC)OC)OC,"InChI=1/C9H20O4/c1-10-8(11-2)6-5-7-9(12-3)13-4/h8-9H,5-7H2,1-4H3",C9H20O4,,,,,,FHBAGVNIWPLUOK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.456,224-700-2,4455-13-4,Ethyl (methylthio)acetate,ethyl (methylsulfanyl)acetate,CCOC(=O)CSC,CCOC(=O)CSC,"InChI=1/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3",C5H10O2S,,,,,,MDIAKIHKBBNYHF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.457,224-701-8,4455-14-5,Ethyl (methylsulphinyl)acetate,ethyl (methylsulfinyl)acetate,CCOC(=O)CS(=O)C,CCOC(=O)CS(=O)C,"InChI=1/C5H10O3S/c1-3-8-5(6)4-9(2)7/h3-4H2,1-2H3",C5H10O3S,,,,,,NYFJEHXSUUKIOH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.459,224-703-9,4455-26-9,Methyldioctylamine,N-methyl-N-octyloctan-1-amine,CCCCCCCCN(C)CCCCCCCC,CCCCCCCCN(C)CCCCCCCC,"InChI=1/C17H37N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h4-17H2,1-3H3",C17H37N,,,,,,YJLYANLCNIKXMG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.460,224-704-4,4455-77-0,(methoxymethyl)diphenylphosphine oxide,(methoxymethyl)(diphenyl)phosphine oxide,COCP(=O)(c1ccccc1)c2ccccc2,COCP(=O)(c1ccccc1)c2ccccc2,"InChI=1/C14H15O2P/c1-16-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3",C14H15O2P,,,,,,OEPKDBQOTLDTNC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.474,224-720-1,4461-42-1,1-chlorobut-1-ene,1-chlorobut-1-ene,CCC=CCl,CCC=CCl,"InChI=1/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3",C4H7Cl,,,,,,DUDKKPVINWLFBI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.478,224-724-3,4462-95-7,"2,4-diphenylcyclobutane-1,3-dicarboxylic acid","2,4-diphenylcyclobutane-1,3-dicarboxylic acid",OC(=O)C1C(C(C1c2ccccc2)C(=O)O)c3ccccc3,OC(=O)C1C(C(C1c2ccccc2)C(=O)O)c3ccccc3,"InChI=1/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)16(18(21)22)14(15)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)",C18H16O4,,,,,,QWFRRFLKWRIKSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.480,224-726-4,4463-33-6,3-methylveratrole,"1,2-dimethoxy-3-methylbenzene",COc1cccc(C)c1OC,COc1cccc(C)c1OC,"InChI=1/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3",C9H12O2,,,,,,WMXFNCKPYCAIQW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.186,216-703-2,1644-11-7,"1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]propane","1-(1-{difluoro[(trifluorovinyl)oxy]methyl}-1,2,2,2-tetrafluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane",FC(=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)F,FC(=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)F,"InChI=1/C8F16O2/c9-1(10)2(11)25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17",C8F16O2,,,,,,RJBJXVAPYONTFE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.426,229-068-1,6408-78-2,"Sodium 1-amino-9,10-dioxo-4-phenylaminoanthracene-2-sulphonate","sodium 1-amino-4-anilino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccccc4)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccccc4)cc1S(=O)(=O)[O-],"InChI=1/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27);/q;+1/p-1",C20H14N2O5S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10494,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.426,LIKZXCROQGHXTI-UHFFFAOYSA-M,,,,,,,,,,,
100.026.427,229-069-7,6408-80-6,"Disodium 1-amino-9,10-dihydro-4-[(4-methyl-2-sulphonatophenyl)amino]-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(4-methyl-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C21H16N2O8S2.2Na/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25;;/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C21H16N2O8S2.2Na,,,,,,RHCZISCTNGVWCV-UHFFFAOYSA-L,,,,,,,,,,,
100.026.433,229-076-5,7/04/6409,"Sodium 2,4-dihydroxy-5-[(4-nitrophenyl)azo]benzoate","sodium 2,4-dihydroxy-5-[(4-nitrophenyl)diazenyl]benzoate",[Na+].Oc2cc(O)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)C([O-])=O,[Na+].Oc2cc(O)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)C([O-])=O,"InChI=1/C13H9N3O6.Na/c17-11-6-12(18)10(5-9(11)13(19)20)15-14-7-1-3-8(4-2-7)16(21)22;/h1-6,17-18H,(H,19,20);/q;+1/p-1",C13H9N3O6.Na,,,,,,CTOGLBZDWDTYCG-UHFFFAOYSA-M,,,,,,,,,,,
100.026.441,229-084-9,6409-55-8,"2,5-diamino-4-methoxybenzenesulphonic acid","2,5-diamino-4-methoxybenzenesulfonic acid",COc1cc(N)c(cc1N)S(=O)(=O)O,COc1cc(N)c(cc1N)S(=O)(=O)O,"InChI=1/C7H10N2O4S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)",C7H10N2O4S,,,,,,RWTNAYUDAIXUBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.445,229-089-6,6409-83-2,"Tetrasodium 5,5'-[carbonylbis(imino-4,1-phenyleneazo)]bis[8-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate]",tetrasodium 8-[(4-sulfonatophenyl)diazenyl]-5-{[4-({[4-({6-sulfonato-4-[(4-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)phenyl]carbamoyl}amino)phenyl]diazenyl}naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc2ccc(cc2)NC(=O)Nc3ccc(cc3)N=Nc6ccc(N=Nc4ccc(cc4)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc2ccc(cc2)NC(=O)Nc3ccc(cc3)N=Nc6ccc(N=Nc4ccc(cc4)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O,"InChI=1/C45H32N10O13S4.4Na/c56-45(46-27-1-5-29(6-2-27)48-52-41-21-23-43(39-25-35(71(63,64)65)17-19-37(39)41)54-50-31-9-13-33(14-10-31)69(57,58)59)47-28-3-7-30(8-4-28)49-53-42-22-24-44(40-26-36(72(66,67)68)18-20-38(40)42)55-51-32-11-15-34(16-12-32)70(60,61)62;;;;/h1-26H,(H2,46,47,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C45H32N10O13S4.4Na,,,,,,CRKUGZZYUKCLMC-UHFFFAOYSA-J,,,,,,,,,,,
100.026.450,229-094-3,6410-13-5,1-[(4-chloro-2-nitrophenyl)azo]-2-naphthol,1-[(4-chloro-2-nitrophenyl)diazenyl]-2-naphthol,Clc3cc(c(N=Nc1c2ccccc2ccc1O)cc3)[N+]([O-])=O,Clc3cc(c(N=Nc1c2ccccc2ccc1O)cc3)[N+]([O-])=O,"InChI=1/C16H10ClN3O3/c17-11-6-7-13(14(9-11)20(22)23)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H",C16H10ClN3O3,,,,,,FHEFMHNVEBIQDW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.452,229-096-4,6410-26-0,4-[(2-chlorophenyl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide,4-[(2-chlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthamide,Clc4ccccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O,Clc4ccccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O,"InChI=1/C23H16ClN3O2/c24-19-12-6-7-13-20(19)26-27-21-17-11-5-4-8-15(17)14-18(22(21)28)23(29)25-16-9-2-1-3-10-16/h1-14,28H,(H,25,29)",C23H16ClN3O2,,,,,,XNANGTRPTFPPPE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.453,229-098-5,6410-27-1,4-[(3-chlorophenyl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide,4-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthamide,Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)ccc4,Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)ccc4,"InChI=1/C23H16ClN3O2/c24-16-8-6-11-18(14-16)26-27-21-19-12-5-4-7-15(19)13-20(22(21)28)23(29)25-17-9-2-1-3-10-17/h1-14,28H,(H,25,29)",C23H16ClN3O2,,,,,,MDODOQLFXACXDN-UHFFFAOYSA-N,,,,,,,,,,,
100.026.454,229-099-0,6410-29-3,4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide,3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-N-phenyl-2-naphthamide,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(=O)Nc5ccccc5,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(=O)Nc5ccccc5,"InChI=1/C31H24N4O4/c1-39-27-17-16-21(30(37)32-22-11-4-2-5-12-22)19-26(27)34-35-28-24-15-9-8-10-20(24)18-25(29(28)36)31(38)33-23-13-6-3-7-14-23/h2-19,36H,1H3,(H,32,37)(H,33,38)",C31H24N4O4,,,,,,JBJBSAHNMRBDSH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.455,229-100-4,6410-30-6,N-(4-chlorophenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]naphthalene-2-carboxamide,N-(4-chlorophenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-2-naphthamide,Clc4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)[N+]([O-])=O)c3O)cc4,Clc4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)[N+]([O-])=O)c3O)cc4,"InChI=1/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(H,26,31)",C24H17ClN4O4,,,,,,ITHKKUPWEBSLAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.734,249-223-7,28787-36-2,2-methyl-4-oxo-4H-pyran-3-yl acetate,2-methyl-4-oxo-4H-pyran-3-yl acetate,CC(=O)OC1=C(C)OC=CC1=O,CC(=O)OC1=C(C)OC=CC1=O,"InChI=1/C8H8O4/c1-5-8(12-6(2)9)7(10)3-4-11-5/h3-4H,1-2H3",C8H8O4,,,,,,NRQULFRLDJKNGP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.739,249-228-4,28797-61-7,Pirenzepine,"11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one",CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1,CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1,"InChI=1/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)",C19H21N5O2,,,,,,RMHMFHUVIITRHF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.435,224-677-9,4444-00-2,"3,7-bis(diethylamino)-1-methoxyphenoxazin-5-ium chloride","3,7-bis(diethylamino)-1-methoxyphenoxazin-5-ium chloride",[Cl-].CCN(CC)c1ccc2nc3c(OC)cc(cc3[o+]c2c1)N(CC)CC,[Cl-].CCN(CC)c1ccc2nc3c(OC)cc(cc3[o+]c2c1)N(CC)CC,"InChI=1/C21H28N3O2.ClH/c1-6-23(7-2)15-10-11-17-18(12-15)26-20-14-16(24(8-3)9-4)13-19(25-5)21(20)22-17;/h10-14H,6-9H2,1-5H3;1H/q+1;/p-1",C21H28N3O2.Cl,,,,,,FQNMNHNJAQLBIR-UHFFFAOYSA-M,,,,,,,,,,,
100.022.436,224-678-4,5/11/4444,9-hydroxyhexadecan-8-one,9-hydroxyhexadecan-8-one,CCCCCCCC(O)C(=O)CCCCCCC,CCCCCCCC(O)C(=O)CCCCCCC,"InChI=1/C16H32O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h15,17H,3-14H2,1-2H3",C16H32O2,,,,,,GEOUKYZTVQMHGL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.438,224-681-0,4444-48-8,2-hydroxy-N-naphthyl-3-dibenzofuran-3-carboxamide,"2-hydroxy-N-1-naphthyldibenzo[b,d]furan-3-carboxamide",Oc1cc2c(oc3ccccc23)cc1C(=O)Nc4cccc5ccccc45,Oc1cc2c(oc3ccccc23)cc1C(=O)Nc4cccc5ccccc45,"InChI=1/C23H15NO3/c25-20-12-17-16-9-3-4-11-21(16)27-22(17)13-18(20)23(26)24-19-10-5-7-14-6-1-2-8-15(14)19/h1-13,25H,(H,24,26)",C23H15NO3,,,,,,GGFCTWROTWQWED-UHFFFAOYSA-N,,,,,,,,,,,
100.022.444,224-687-3,4446-91-7,(3-chloro-1-methoxypropyl)benzene,(3-chloro-1-methoxypropyl)benzene,COC(CCCl)c1ccccc1,COC(CCCl)c1ccccc1,"InChI=1/C10H13ClO/c1-12-10(7-8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3",C10H13ClO,,,,,,XXYMJFXCBAUDMV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.446,224-689-4,4448-72-0,"3-hydroxy-2,2-diphenylpropionic acid","3-hydroxy-2,2-diphenylpropanoic acid",OCC(C(=O)O)(c1ccccc1)c2ccccc2,OCC(C(=O)O)(c1ccccc1)c2ccccc2,"InChI=1/C15H14O3/c16-11-15(14(17)18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,17,18)",C15H14O3,,,,,,XENQGGFBIYOFES-UHFFFAOYSA-N,,,,,,,,,,,
100.022.462,224-707-0,4456-92-2,N-amidinohexanamide,N-carbamimidoylhexanamide,CCCCCC(=O)NC(=N)N,CCCCCC(=O)NC(=N)N,"InChI=1/C7H15N3O/c1-2-3-4-5-6(11)10-7(8)9/h2-5H2,1H3,(H4,8,9,10,11)",C7H15N3O,,,,,,DSLSNSBQZMOQQK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.465,224-710-7,4458-31-5,Diethyl(propyl)amine,"N,N-diethylpropan-1-amine",CCCN(CC)CC,CCCN(CC)CC,"InChI=1/C7H17N/c1-4-7-8(5-2)6-3/h4-7H2,1-3H3",C7H17N,,,,,,PQZTVWVYCLIIJY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.467,224-712-8,4460-02-0,"Methyl 2,6-diisocyanatohexanoate","methyl N~2~,N~6~-bis(oxomethylene)lysinate",COC(=O)C(CCCCN=C=O)N=C=O,COC(=O)C(CCCCN=C=O)N=C=O,"InChI=1/C9H12N2O4/c1-15-9(14)8(11-7-13)4-2-3-5-10-6-12/h8H,2-5H2,1H3",C9H12N2O4,,,,,,AYLRODJJLADBOB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.470,224-715-4,4461-30-7,Chloroacetyl isocyanate,chloroacetyl isocyanate,ClCC(=O)N=C=O,ClCC(=O)N=C=O,InChI=1/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2,C3H2ClNO2,,,,,,MOVMEFHWBOWMFU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.472,224-718-0,4461-39-6,2-[(3-aminopropyl)amino]ethanol,2-[(3-aminopropyl)amino]ethanol,NCCCNCCO,NCCCNCCO,"InChI=1/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2",C5H14N2O,,,,,,GHKSKVKCKMGRDU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.475,224-721-7,4461-48-7,4-methylpent-2-ene,4-methylpent-2-ene,CC(C)C=CC,CC(C)C=CC,"InChI=1/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3",C6H12,,,,,,LGAQJENWWYGFSN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.477,224-723-8,4462-55-9,"3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride","3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride",Cc1onc(c1C(=O)Cl)c2c(Cl)cccc2Cl,Cc1onc(c1C(=O)Cl)c2c(Cl)cccc2Cl,"InChI=1/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3",C11H6Cl3NO2,,,,,,IZQGELJKDARDMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.481,224-728-5,4463-44-9,"Sodium hydrogen 4-[[4-(ethylamino)-m-tolyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]-6-hydroxybenzene-1,3-disulphonate","sodium hydrogen 4-{[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl}-6-hydroxybenzene-1,3-disulfonate",[H+].[Na+].[O-]S(=O)(=O)c1cc(c(cc1O)C(c2ccc(NCC)c(C)c2)=C/3/C=C\\C(=NCC)C(\\C)=C\\3)S([O-])(=O)=O,[H+].[Na+].[O-]S(=O)(=O)c1cc(c(cc1O)C(c2ccc(NCC)c(C)c2)=C/3/C=C\C(=NCC)C(\C)=C\3)S([O-])(=O)=O,"InChI=1/C25H28N2O7S2.Na.H2/c1-5-26-20-9-7-17(11-15(20)3)25(18-8-10-21(27-6-2)16(4)12-18)19-13-22(28)24(36(32,33)34)14-23(19)35(29,30)31;;/h7-14,26,28H,5-6H2,1-4H3,(H,29,30,31)(H,32,33,34);;1H/q;2*+1/p-2",C25H28N2O7S2.Na,,,,,,ACZRDWVARWLTRG-UHFFFAOYSA-M,,,,,,,,,,,
100.022.482,224-729-0,4464-23-7,Cadmium diformate,cadmium diformate,[Cd+2].[O-]C=O.[O-]C=O,[Cd+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Cd/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Cd,,,,,,BAAYWLNVHTVAJJ-UHFFFAOYSA-L,,,,,,,,,,,
100.021.742,223-915-9,4121-13-5,Benzyl butyl adipate,benzyl butyl adipate,CCCCOC(=O)CCCCC(=O)OCc1ccccc1,CCCCOC(=O)CCCCC(=O)OCc1ccccc1,"InChI=1/C17H24O4/c1-2-3-13-20-16(18)11-7-8-12-17(19)21-14-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14H2,1H3",C17H24O4,,,,,,VRFMFQHSDWKYDM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.745,223-919-0,4121-67-9,"Sodium 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonate","sodium 2-[2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccccc6C5=O,[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccccc6C5=O,"InChI=1/C26H16N2O5S2.Na/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30;/h2-12,21H,1H3,(H,31,32,33);/q;+1/p-1",C26H16N2O5S2.Na,,,,,,CBELTANGRJODTC-UHFFFAOYSA-M,,,,,,,,,,,
100.021.748,223-922-7,4122-52-5,1-(1-oxopropyl)-1H-imidazole,1-propionyl-1H-imidazole,CCC(=O)n1ccnc1,CCC(=O)n1ccnc1,"InChI=1/C6H8N2O/c1-2-6(9)8-4-3-7-5-8/h3-5H,2H2,1H3",C6H8N2O,,,,,,GDBUORNHWAZSNU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.750,216-224-9,1530-34-3,(3-methylbut-2-enyl)triphenylphosphonium bromide,(3-methylbut-2-en-1-yl)(triphenyl)phosphonium bromide,[Br-].CC(=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C,[Br-].CC(=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C,"InChI=1/C23H24P.BrH/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-18H,19H2,1-2H3;1H/q+1;/p-1",C23H24P.Br,,,,,,FTMCNCGWNJMMQS-UHFFFAOYSA-M,,,,,,,,,,,
100.014.753,216-228-0,1530-39-8,(4-chlorobenzyl)triphenylphosphonium chloride,(4-chlorobenzyl)(triphenyl)phosphonium chloride,[Cl-].Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1,[Cl-].Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1,"InChI=1/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1",C25H21ClP.Cl,,,,,,RAHOAHBOOHXRDY-UHFFFAOYSA-M,,,,,,,,,,,
100.014.755,216-230-1,1530-45-6,(ethoxycarbonylmethyl)triphenylphosphonium bromide,(2-ethoxy-2-oxoethyl)(triphenyl)phosphonium bromide,[Br-].CCOC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCOC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1",C22H22O2P.Br,,,,,,VJVZPTPOYCJFNI-UHFFFAOYSA-M,,,,,,,,,,,
100.014.757,216-232-2,1530-73-0,Di-p-toluohydrazide,4-methyl-N'-(4-methylbenzoyl)benzohydrazide,Cc1ccc(cc1)C(=O)NNC(=O)c2ccc(C)cc2,Cc1ccc(cc1)C(=O)NNC(=O)c2ccc(C)cc2,"InChI=1/C16H16N2O2/c1-11-3-7-13(8-4-11)15(19)17-18-16(20)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)(H,18,20)",C16H16N2O2,,,,,,SWVLEZBOJRWRJB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.762,216-238-5,1531-18-6,2-ethylisonicotinonitrile,2-ethylisonicotinonitrile,CCc1cc(ccn1)C#N,CCc1cc(ccn1)C#N,"InChI=1/C8H8N2/c1-2-8-5-7(6-9)3-4-10-8/h3-5H,2H2,1H3",C8H8N2,,,,,,WERAOGVQORFBMU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.763,216-239-0,1531-20-0,"3,4-dimethyl-8-nitroquinoline","3,4-dimethyl-8-nitroquinoline",Cc1cnc2c(cccc2c1C)[N+](=O)[O-],Cc1cnc2c(cccc2c1C)[N+](=O)[O-],"InChI=1/C11H10N2O2/c1-7-6-12-11-9(8(7)2)4-3-5-10(11)13(14)15/h3-6H,1-2H3",C11H10N2O2,,,,,,FKXPOWALVWGYNT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.773,216-250-0,1533-77-3,"2,2'-[[3-carbamoyl-4-[(2-methoxy-4-nitrophenyl)azo]phenyl]imino]diethyl diacetate","({3-carbamoyl-4-[(2-methoxy-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",COc2cc(ccc2N=Nc1ccc(cc1C(N)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,COc2cc(ccc2N=Nc1ccc(cc1C(N)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C22H25N5O8/c1-14(28)34-10-8-26(9-11-35-15(2)29)16-4-6-19(18(12-16)22(23)30)24-25-20-7-5-17(27(31)32)13-21(20)33-3/h4-7,12-13H,8-11H2,1-3H3,(H2,23,30)",C23H27N5O8,,,,,,LOIKGMKIHUUUPN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.743,242-634-2,18864-27-2,"Bis[5-amino-1,1-dimethylhexyl] hydrogen phosphate","bis(5-amino-1,1-dimethylhexyl) hydrogen phosphate",CC(N)CCCC(C)(C)OP(=O)(O)OC(C)(C)CCCC(C)N,CC(N)CCCC(C)(C)OP(=O)(O)OC(C)(C)CCCC(C)N,"InChI=1/C16H37N2O4P/c1-13(17)9-7-11-15(3,4)21-23(19,20)22-16(5,6)12-8-10-14(2)18/h13-14H,7-12,17-18H2,1-6H3,(H,19,20)",C16H37N2O4P,,,,,,TXYNAKWXMMCIKR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.744,242-635-8,18864-28-3,"5-amino-1,1-dimethylhexyl dihydrogen phosphate","5-amino-1,1-dimethylhexyl dihydrogen phosphate",NC(C)CCCC(C)(C)OP(O)(O)=O,NC(C)CCCC(C)(C)OP(O)(O)=O,"InChI=1/C8H20NO4P/c1-7(9)5-4-6-8(2,3)13-14(10,11)12/h7H,4-6,9H2,1-3H3,(H2,10,11,12)",C8H20NO4P,,,,,,JUFGOWAGSGRBGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.894,242-800-4,19077-97-5,N-[4-[[(aminoiminomethyl)amino]sulphonyl]phenyl]acetamide,N-[4-(carbamimidoylsulfamoyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=N)N,CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=N)N,"InChI=1/C9H12N4O3S/c1-6(14)12-7-2-4-8(5-3-7)17(15,16)13-9(10)11/h2-5H,1H3,(H,12,14)(H4,10,11,13)",C9H12N4O3S,,,,,,BDTLWPHLHNDHRC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.899,242-806-7,19089-47-5,2-ethoxypropanol,2-ethoxypropan-1-ol,CCOC(C)CO,CCOC(C)CO,"InChI=1/C5H12O2/c1-3-7-5(2)4-6/h5-6H,3-4H2,1-2H3",C5H12O2,,,,,,DEDUBNVYPMOFDR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.902,242-809-3,19090-60-9,"Adipic acid, ammonium salt",ammonium 5-carboxypentanoate,[NH4+].OC(=O)CCCCC(=O)[O-],[NH4+].OC(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.H3N/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);1H3",C6H10O4.xH3N,,,,,,RATMLZHGSYTFBL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.187,216-704-8,1644-21-9,"a,a,ß,ß-tetrafluoro-m-nitrophenetole","1-nitro-3-(1,1,2,2-tetrafluoroethoxy)benzene",[O-][N+](=O)c1cccc(OC(F)(F)C(F)F)c1,[O-][N+](=O)c1cccc(OC(F)(F)C(F)F)c1,"InChI=1/C8H5F4NO3/c9-7(10)8(11,12)16-6-3-1-2-5(4-6)13(14)15/h1-4,7H",C8H5F4NO3,,,,,,NSXYRKKNVBEZDY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.188,216-705-3,1645-75-6,"1,1,1,3,3,3-hexafluoroisopropylideneamine","1,1,1,3,3,3-hexafluoropropan-2-imine",FC(F)(F)C(=N)C(F)(F)F,FC(F)(F)C(=N)C(F)(F)F,"InChI=1/C3HF6N/c4-2(5,6)1(10)3(7,8)9/h10H",C3HF6N,,,,,,VVRCKMPEMSAMST-UHFFFAOYSA-N,,,,,,,,,,,
100.015.191,216-709-5,1646-75-9,2-methyl-2-(methylthio)propionaldehyde oxime,2-methyl-2-(methylsulfanyl)propanal oxime,CSC(C)(C)\\C=N\\O,CSC(C)(C)\C=N\O,"InChI=1/C5H11NOS/c1-5(2,8-3)4-6-7/h4,7H,1-3H3",C5H11NOS,,,,,,ZFGMCJAXIZTVJA-GQCTYLIASA-N,,,,,,,,,,,
100.015.202,216-721-0,1653-19-6,"2,3-dichlorobuta-1,3-diene","2,3-dichlorobuta-1,3-diene",ClC(=C)C(=C)Cl,ClC(=C)C(=C)Cl,InChI=1/C4H4Cl2/c1-3(5)4(2)6/h1-2H2,C4H4Cl2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14524,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.202,LIFLRQVHKGGNSG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.203,216-722-6,1653-30-1,Undecan-2-ol,undecan-2-ol,CCCCCCCCCC(C)O,CCCCCCCCCC(C)O,"InChI=1/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,XMUJIPOFTAHSOK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.211,216-731-5,1655-07-8,Ethyl 2-oxocyclohexanecarboxylate,ethyl 2-oxocyclohexanecarboxylate,CCOC(=O)C1CCCCC1=O,CCOC(=O)C1CCCCC1=O,"InChI=1/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3",C9H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11699,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.211,FGSGHBPKHFDJOP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.212,216-732-0,1655-29-4,"Disodium naphthalene-1,5-disulphonate","disodium naphthalene-1,5-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",C10H8O6S2.2Na,,,,,,YGSZNSDQUQYJCY-UHFFFAOYSA-L,,,,,,,,,,,
100.015.214,216-734-1,1655-43-2,"Disodium naphthalene-1,6-disulphonate","disodium naphthalene-1,6-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(cccc2c1)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(cccc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2Na/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",C10H8O6S2.2Na,,,,,,FXJFYEOXUWERCL-UHFFFAOYSA-L,,,,,,,,,,,
100.015.219,216-739-9,1655-52-3,"N-(2,4-dinitrophenyl)-L-alanine","N-(2,4-dinitrophenyl)alanine",C[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,C[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C9H9N3O6/c1-5(9(13)14)10-7-3-2-6(11(15)16)4-8(7)12(17)18/h2-5,10H,1H3,(H,13,14)",C9H9N3O6,,,,,,KKHLKORVTUUSBC-YFKPBYRVSA-N,,,,,,,,,,,
100.015.223,216-744-6,1655-56-7,"N-(2,4-dinitrophenyl)-L-isoleucine","N-(2,4-dinitrophenyl)-L-isoleucine",CCC(C)[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,CCC(C)[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C12H15N3O6/c1-3-7(2)11(12(16)17)13-9-5-4-8(14(18)19)6-10(9)15(20)21/h4-7,11,13H,3H2,1-2H3,(H,16,17)",C12H15N3O6,,,,,,PCZSORDQCDENOD-QRIDDKLISA-N,,,,,,,,,,,
100.015.227,216-748-8,1655-68-1,m-phenoxyanisole,1-methoxy-3-phenoxybenzene,COc1cccc(Oc2ccccc2)c1,COc1cccc(Oc2ccccc2)c1,"InChI=1/C13H12O2/c1-14-12-8-5-9-13(10-12)15-11-6-3-2-4-7-11/h2-10H,1H3",C13H12O2,,,,,,CBVXNDCIOLXDFD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.229,216-750-9,1656-48-0,"3,3'-oxydipropiononitrile","3,3'-oxydipropanenitrile",N#CCCOCCC#N,N#CCCOCCC#N,"InChI=1/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2",C6H8N2O,,,,,,BCGCCTGNWPKXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.234,216-756-1,1657-28-9,3-oxo-N-2-pyridylbutyramide,3-oxo-N-pyridin-2-ylbutanamide,CC(=O)CC(=O)Nc1ccccn1,CC(=O)CC(=O)Nc1ccccn1,"InChI=1/C9H10N2O2/c1-7(12)6-9(13)11-8-4-2-3-5-10-8/h2-5H,6H2,1H3,(H,10,11,13)",C9H10N2O2,,,,,,JSYFBSLKZLDZOC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.235,216-757-7,1657-71-2,"(E)-4,4'-ethylenebis(1,1'-biphenyl)","4,4'-ethene-1,2-diyldibiphenyl",C(=Cc1ccc(cc1)c2ccccc2)c3ccc(cc3)c4ccccc4,C(=Cc1ccc(cc1)c2ccccc2)c3ccc(cc3)c4ccccc4,InChI=1/C26H20/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-20H,C26H20,,,,,,HXWQJYVUJPBQEW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.235,243-175-0,19592-55-3,"3,20-bis(ethylenedioxy)pregna-5,7-diene","10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,9,10,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]",CC12CCC3C(=CC=C4CC5(CCC34C)OCCO5)C1CCC2C6(C)OCCO6,CC12CCC3C(=CC=C4CC5(CCC34C)OCCO5)C1CCC2C6(C)OCCO6,"InChI=1/C25H36O4/c1-22-10-11-25(28-14-15-29-25)16-17(22)4-5-18-19-6-7-21(24(3)26-12-13-27-24)23(19,2)9-8-20(18)22/h4-5,19-21H,6-16H2,1-3H3",C25H36O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6916,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.235,CFZNXPSHLNMZGD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.239,243-179-2,19600-96-5,Titanium(4+) 2-chloroethanolate,titanium(4+) tetrakis(2-chloroethanolate),[Ti+4].[O-]CCCl.[O-]CCCl.[O-]CCCl.[O-]CCCl,[Ti+4].[O-]CCCl.[O-]CCCl.[O-]CCCl.[O-]CCCl,InChI=1/4C2H4ClO.Ti/c4*3-1-2-4;/h4*1-2H2;/q4*-1;+4,C2H5ClO.1/4Ti,,,,,,PEGZGALEIGAUGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.240,243-180-8,19602-82-5,"2,2'-dithiodibenzoyl chloride","2,2'-disulfanediyldibenzoyl chloride",ClC(=O)c1ccccc1SSc2ccccc2C(=O)Cl,ClC(=O)c1ccccc1SSc2ccccc2C(=O)Cl,InChI=1/C14H8Cl2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,C14H8Cl2O2S2,,,,,,DSFZYLCRXIWFFW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.456,229-102-5,6410-32-8,3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(o-tolyl)naphthalene-2-carboxamide,3-hydroxy-4-[(2-methyl-4-nitrophenyl)diazenyl]-N-(2-methylphenyl)-2-naphthamide,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2C)[N+]([O-])=O)c3O,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2C)[N+]([O-])=O)c3O,"InChI=1/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31)",C25H20N4O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10031,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.456,KDLDNQQRGJAGIS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.460,229-106-7,6410-40-8,"4-[(2,5-dichlorophenyl)azo]-N-(2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide","4-[(2,5-dichlorophenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-hydroxy-2-naphthamide",Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(OC)ccc1OC)c2O,Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(OC)ccc1OC)c2O,"InChI=1/C25H19Cl2N3O4/c1-33-16-8-10-22(34-2)21(13-16)28-25(32)18-11-14-5-3-4-6-17(14)23(24(18)31)30-29-20-12-15(26)7-9-19(20)27/h3-13,31H,1-2H3,(H,28,32)",C25H19Cl2N3O4,,,,,,CVRPSWGFUCJAFC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.463,229-109-3,6410-47-5,"Disodium 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis(3-hydroxy-7-nitronaphthalene-1-sulphonate)","disodium 3-hydroxy-4-{[1-(4-{[(4-{4-[(2-hydroxy-6-nitro-4-sulfonato-1-naphthyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)carbamoyl]amino}phenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-7-nitronaphthalene-1-sulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc8c(c1)c(cc(O)c8N=NC2C(=O)N(/N=C2/C)c3ccc(cc3)NC(=O)Nc4ccc(cc4)N7/N=C(/C)C(N=Nc6c5ccc(cc5c(cc6O)S([O-])(=O)=O)[N+]([O-])=O)C7=O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc8c(c1)c(cc(O)c8N=NC2C(=O)N(/N=C2/C)c3ccc(cc3)NC(=O)Nc4ccc(cc4)N7/N=C(/C)C(N=Nc6c5ccc(cc5c(cc6O)S([O-])(=O)=O)[N+]([O-])=O)C7=O)S([O-])(=O)=O,"InChI=1/C41H30N12O15S2.2Na/c1-19-35(44-46-37-27-13-11-25(52(59)60)15-29(27)33(17-31(37)54)69(63,64)65)39(56)50(48-19)23-7-3-21(4-8-23)42-41(58)43-22-5-9-24(10-6-22)51-40(57)36(20(2)49-51)45-47-38-28-14-12-26(53(61)62)16-30(28)34(18-32(38)55)70(66,67)68;;/h3-18,35-36,54-55H,1-2H3,(H2,42,43,58)(H,63,64,65)(H,66,67,68);;/q;2*+1/p-2",C41H30N12O15S2.2Na,,,,,,JAURCFILSBFCDQ-UHFFFAOYSA-L,,,,,,,,,,,
100.025.258,227-783-3,5979-28-2,"N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[2-[(2,4-dichlorophenyl)azo]-3-oxobutyramide]","N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)bis{2-[(2,4-dichlorophenyl)diazenyl]-3-oxobutanamide}",CC(=O)C(N=Nc1ccc(Cl)cc1Cl)C(=O)Nc2ccc(cc2C)c3ccc(NC(=O)C(N=Nc4ccc(Cl)cc4Cl)C(=O)C)c(C)c3,CC(=O)C(N=Nc1ccc(Cl)cc1Cl)C(=O)Nc2ccc(cc2C)c3ccc(NC(=O)C(N=Nc4ccc(Cl)cc4Cl)C(=O)C)c(C)c3,"InChI=1/C34H28Cl4N6O4/c1-17-13-21(5-9-27(17)39-33(47)31(19(3)45)43-41-29-11-7-23(35)15-25(29)37)22-6-10-28(18(2)14-22)40-34(48)32(20(4)46)44-42-30-12-8-24(36)16-26(30)38/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)",C34H28Cl4N6O4,,,,,,JFMYRCRXYIIGBB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.259,227-784-9,5979-31-7,Disodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5cccc(N)c5)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5cccc(N)c5)S([O-])(=O)=O,"InChI=1/C29H22N6O8S2.2Na/c30-19-3-1-2-17(14-19)29(37)31-23-10-13-25-18(15-23)16-26(45(41,42)43)27(28(25)36)35-34-21-6-4-20(5-7-21)32-33-22-8-11-24(12-9-22)44(38,39)40;;/h1-16,36H,30H2,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C29H22N6O8S2.2Na,,,,,,FXHTUQLHYNKIPD-UHFFFAOYSA-L,,,,,,,,,,,
100.025.260,227-785-4,5979-32-8,Disodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[[3-methyl-4-[(3-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-({3-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc2ccc(cc2C)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccc(N)cc5)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc2ccc(cc2C)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccc(N)cc5)S([O-])(=O)=O,"InChI=1/C30H24N6O8S2.2Na/c1-17-13-23(10-12-26(17)35-33-22-3-2-4-24(16-22)45(39,40)41)34-36-28-27(46(42,43)44)15-19-14-21(9-11-25(19)29(28)37)32-30(38)18-5-7-20(31)8-6-18;;/h2-16,37H,31H2,1H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C30H24N6O8S2.2Na,,,,,,FFFOLONLYOYQPD-UHFFFAOYSA-L,,,,,,,,,,,
100.025.267,227-793-8,5982-87-6,Ethylbis(3-phenylpropyl)ammonium chloride,N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-aminium chloride,[Cl-].CC[NH+](CCCc1ccccc1)CCCc2ccccc2,[Cl-].CC[NH+](CCCc1ccccc1)CCCc2ccccc2,"InChI=1/C20H27N.ClH/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;/h3-8,11-14H,2,9-10,15-18H2,1H3;1H",C20H27N.ClH,,,,,,ZKRKHXXSBDSIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.268,227-794-3,5982-97-8,N-(aminocarbonyl)-2-ethyl-2-butenamide,N-carbamoyl-2-ethylbut-2-enamide,CC=C(CC)C(=O)NC(N)=O,CC=C(CC)C(=O)NC(N)=O,"InChI=1/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)",C7H12N2O2,,,,,,QCUPYFTWJOZAOB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.270,227-796-4,5984-58-7,"(±)-1,5-dimethylhexylamine",6-methylheptan-2-amine,CC(C)CCCC(C)N,CC(C)CCCC(C)N,"InChI=1/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3",C8H19N,,,,,,QNIVIMYXGGFTAK-UHFFFAOYSA-N,,,,,,,,,,,
100.025.271,227-798-5,5984-59-8,"(1,5-dimethylhexyl)ammonium chloride",6-methylheptan-2-aminium chloride,[Cl-].CC(C)CCCC(C)[NH3+],[Cl-].CC(C)CCCC(C)[NH3+],"InChI=1/C8H19N.ClH/c1-7(2)5-4-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H",C8H19N.ClH,,,,,,JWQWFYMPBWLERY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.483,224-730-6,4465-47-8,"N,N'-(14-chloro-5,6,7,12,13,17,22,23,25,28-decahydro-5,7,12,17,22,25,28-heptaoxonaphtho[2,3-c]bisnaphth[2',3':6,7]indolo[3,2-a:3',2'-i]acridine-1,18-diyl)bis(benzamide)","N,N'-(14-chloro-5,7,12,17,22,25,28-heptaoxo-5,6,7,12,13,17,22,23,25,28-decahydronaphtho[2,3-c]bisnaphtho[2',3':6,7]indolo[3,2-a:3',2'-i]acridine-1,18-diyl)dibenzamide",Clc1c2Nc3c4C(=O)c5ccccc5C(=O)c4c6[nH]c7c8C(=O)c9cccc(NC(=O)c%10ccccc%10)c9C(=O)c8ccc7c6c3C(=O)c2cc%11[nH]c%12c%13C(=O)c%14cccc(NC(=O)c%15ccccc%15)c%14C(=O)c%13ccc%12c1%11,Clc1c2Nc3c4C(=O)c5ccccc5C(=O)c4c6[nH]c7c8C(=O)c9cccc(NC(=O)c%10ccccc%10)c9C(=O)c8ccc7c6c3C(=O)c2cc%11[nH]c%12c%13C(=O)c%14cccc(NC(=O)c%15ccccc%15)c%14C(=O)c%13ccc%12c1%11,"InChI=1/C63H30ClN5O9/c64-49-40-30-21-23-34-44(59(74)32-17-9-19-37(41(32)57(34)72)66-62(77)26-11-3-1-4-12-26)50(30)65-39(40)25-36-52(49)69-54-46(61(36)76)43-31-22-24-35-45(51(31)68-53(43)47-48(54)56(71)29-16-8-7-15-28(29)55(47)70)60(75)33-18-10-20-38(42(33)58(35)73)67-63(78)27-13-5-2-6-14-27/h1-25,65,68H,(H,66,77)(H,67,78)(H,69,76)",C63H30ClN5O9,,,,,,KROATVZYYAHFJX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.185,216-702-7,1643-97-6,1-fluoro-4-[(4-methylphenyl)sulphonyl]benzene,1-fluoro-4-[(4-methylphenyl)sulfonyl]benzene,Cc1ccc(cc1)S(=O)(=O)c2ccc(F)cc2,Cc1ccc(cc1)S(=O)(=O)c2ccc(F)cc2,"InChI=1/C13H11FO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,1H3",C13H11FO2S,,,,,,PSDMTXMSQAGPPB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.206,216-725-2,1653-34-5,Pentadecan-2-ol,pentadecan-2-ol,CCCCCCCCCCCCCC(C)O,CCCCCCCCCCCCCC(C)O,"InChI=1/C15H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h15-16H,3-14H2,1-2H3",C15H32O,,,,,,ALVGHPMGQNBJRC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.207,216-726-8,1653-35-6,Pentadecan-8-ol,pentadecan-8-ol,CCCCCCCC(O)CCCCCCC,CCCCCCCC(O)CCCCCCC,"InChI=1/C15H32O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3",C15H32O,,,,,,AXCJQGZCVXCVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.213,216-733-6,1655-35-2,"Disodium naphthalene-2,7-disulphonate","disodium naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2Na/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",C10H8O6S2.2Na,,,,,,XOIWXJSPLXGSLZ-UHFFFAOYSA-L,,,,,,,,,,,
100.015.215,216-735-7,1655-45-4,"Disodium naphthalene-2,6-disulphonate","disodium naphthalene-2,6-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2Na/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",C10H8O6S2.2Na,,,,,,WZZLWPIYWZEJOX-UHFFFAOYSA-L,,,,,,,,,,,
100.015.216,216-736-2,1655-48-7,"N-(2,4-dinitrophenyl)-DL-glutamic acid","N-(2,4-dinitrophenyl)glutamic acid",OC(=O)[C@H](CCC(O)=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,OC(=O)[C@H](CCC(O)=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C11H11N3O8/c15-10(16)4-3-8(11(17)18)12-7-2-1-6(13(19)20)5-9(7)14(21)22/h1-2,5,8,12H,3-4H2,(H,15,16)(H,17,18)",C11H11N3O8,,,,,,NZBKHTRVUNPZEN-QMMMGPOBSA-N,,,,,,,,,,,
100.015.226,216-747-2,1655-66-9,"N,N-bis(2,4-dinitrophenyl)-L-histidine","N,N-bis(2,4-dinitrophenyl)-L-histidine",OC(=O)[C@H](Cc1c[nH]cn1)N(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],OC(=O)[C@H](Cc1c[nH]cn1)N(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H13N7O10/c26-18(27)17(5-10-8-19-9-20-10)21(13-3-1-11(22(28)29)6-15(13)24(32)33)14-4-2-12(23(30)31)7-16(14)25(34)35/h1-4,6-9,17H,5H2,(H,19,20)(H,26,27)",C18H13N7O10,,,,,,DYPVFKXVTXSSTH-KRWDZBQOSA-N,,,,,,,,,,,
100.015.228,216-749-3,1656-44-6,"2,4-dinitrobenzenesulphonyl chloride","2,4-dinitrobenzenesulfonyl chloride",[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl,"InChI=1/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H",C6H3ClN2O6S,,,,,,SSFSNKZUKDBPIT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.238,243-178-7,19600-63-6,"7,8-epoxyoctene",2-hex-5-en-1-yloxirane,C=CCCCCC1CO1,C=CCCCCC1CO1,"InChI=1/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2,8H,1,3-7H2",C8H14O,,,,,,UKTHULMXFLCNAV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.241,243-181-3,19604-05-8,Disodium (1-methyl-4-oxoimidazolidin-2-ylidene)phosphoramidate,disodium (1-methyl-4-oxoimidazolidin-2-ylidene)amidophosphate,[Na+].[Na+].O=P([O-])([O-])N=C1NC(=O)CN1C,[Na+].[Na+].O=P([O-])([O-])N=C1NC(=O)CN1C,"InChI=1/C4H8N3O4P.2Na/c1-7-2-3(8)5-4(7)6-12(9,10)11;;/h2H2,1H3,(H3,5,6,8,9,10,11);;/q;2*+1/p-2",C4H8N3O4P.2Na,,,,,,SXKIJBYZZDVCOF-UHFFFAOYSA-L,,,,,,,,,,,
100.039.245,243-186-0,19614-80-3,"2,2'-dithiobis[4-tert-butylphenol]","2,2'-disulfanediylbis(4-tert-butylphenol)",CC(C)(C)c1ccc(O)c(SSc2cc(ccc2O)C(C)(C)C)c1,CC(C)(C)c1ccc(O)c(SSc2cc(ccc2O)C(C)(C)C)c1,"InChI=1/C20H26O2S2/c1-19(2,3)13-7-9-15(21)17(11-13)23-24-18-12-14(20(4,5)6)8-10-16(18)22/h7-12,21-22H,1-6H3",C20H26O2S2,,,,,,RCJCYNBHXJMNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.249,243-190-2,19619-43-3,"Azelaic acid, potassium salt",potassium 8-carboxyoctanoate,[K+].OC(=O)CCCCCCCC(=O)[O-],[K+].OC(=O)CCCCCCCC(=O)[O-],"InChI=1/C9H16O4.K/c10-8(11)6-4-2-1-3-5-7-9(12)13;/h1-7H2,(H,10,11)(H,12,13);/q;+1/p-1",C9H16O4.xK,,,,,,KYUUIPCDSNGPAU-UHFFFAOYSA-M,,,,,,,,,,,
100.038.911,242-819-8,19099-54-8,o-iodocumene,1-iodo-2-isopropylbenzene,CC(C)c1ccccc1I,CC(C)c1ccccc1I,"InChI=1/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3",C9H11I,,,,,,SORQIYFSJAWBNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.886,247-190-3,25696-57-5,6-bromo-2-naphthyl a-D-glucopyranoside,6-bromo-2-naphthyl alpha-D-glucopyranoside,OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2",C16H17BrO6,,,,,,NLRXQZJJCPRATR-LJIZCISZSA-N,,,,,,,,,,,
100.042.897,247-202-7,25711-77-7,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(pentafluorophenoxy)propoxy]propionyl fluoride","2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(pentafluorophenoxy)propoxy]propanoyl fluoride",FC(=O)C(F)(OC(F)(F)C(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F)C(F)(F)F,FC(=O)C(F)(OC(F)(F)C(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F)C(F)(F)F,"InChI=1/C12F16O3/c13-1-2(14)4(16)6(5(17)3(1)15)30-9(20,11(24,25)26)12(27,28)31-8(19,7(18)29)10(21,22)23",C12F16O3,,,,,,BTMPGBKXGNLFBU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.899,247-204-8,25712-17-8,4-(2-benzothiazol-2-ylthio)aniline,"4-(1,3-benzothiazol-2-ylsulfanyl)aniline",Nc1ccc(Sc2nc3ccccc3s2)cc1,Nc1ccc(Sc2nc3ccccc3s2)cc1,"InChI=1/C13H10N2S2/c14-9-5-7-10(8-6-9)16-13-15-11-3-1-2-4-12(11)17-13/h1-8H,14H2",C13H10N2S2,,,,,,PZVWKCGKIADPAU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.901,247-206-9,25717-55-9,"2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-{2-[(4-methoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium chloride",[Cl-].COc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,[Cl-].COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C20H22N2O.ClH/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;/h5-14H,1-4H3;1H",C20H23N2O.Cl,,,,,,OXPKRRHGPFICAE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.904,247-210-0,25724-58-7,Decyl hexyl phthalate,decyl hexyl phthalate,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,"InChI=1/C24H38O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",C24H38O4,,,,,,OMQBXAQAHHFSST-UHFFFAOYSA-N,,,,,,,,,,,
100.042.909,247-215-8,25732-79-0,Sodium 2-nitrobenzenesulphonate,sodium 2-nitrobenzenesulfonate,[Na+].[O-][N+](=O)c1ccccc1S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1ccccc1S(=O)(=O)[O-],"InChI=1/C6H5NO5S.Na/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1",C6H5NO5S.Na,,,,,,LIBWRRJGKWQFSD-UHFFFAOYSA-M,,,,,,,,,,,
100.042.914,247-221-0,25738-35-6,"4,4'-bis(3-phenylureido)-2,2'-stilbenedisulphonic acid","2,2'-ethene-1,2-diylbis{5-[(phenylcarbamoyl)amino]benzenesulfonic acid}",OS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1\\C=C\\c3ccc(NC(=O)Nc4ccccc4)cc3S(=O)(=O)O,OS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1\C=C\c3ccc(NC(=O)Nc4ccccc4)cc3S(=O)(=O)O,"InChI=1/C28H24N4O8S2/c33-27(29-21-7-3-1-4-8-21)31-23-15-13-19(25(17-23)41(35,36)37)11-12-20-14-16-24(18-26(20)42(38,39)40)32-28(34)30-22-9-5-2-6-10-22/h1-18H,(H2,29,31,33)(H2,30,32,34)(H,35,36,37)(H,38,39,40)",C28H24N4O8S2,,,,,,SEXWRZHFWPOWFA-VAWYXSNFSA-N,,,,,,,,,,,
100.042.916,247-223-1,25739-63-3,"p-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]benzenesulphonic acid","4-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O,OS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O,"InChI=1/C16H14N4O4S/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24/h2-10,15H,1H3,(H,22,23,24)",C16H14N4O4S,,,,,,OILFJMYLWASPJD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.244,221-167-8,3019-89-4,Sodium m-cresolate,sodium 3-methylphenolate,Cc1cccc(O[Na])c1,Cc1cccc(O[Na])c1,"InChI=1/C7H8O.Na/c1-6-3-2-4-7(8)5-6;/h2-5,8H,1H3;/q;+1/p-1",C7H8O.Na,,,,,,QOINKMNRLBCJOP-UHFFFAOYSA-M,,,,,,,,,,,
100.019.249,221-173-0,3022-16-0,"1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene","1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene",Cc1c(C)c(CCl)c(C)c(C)c1CCl,Cc1c(C)c(CCl)c(C)c(C)c1CCl,"InChI=1/C12H16Cl2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6H2,1-4H3",C12H16Cl2,,,,,,PGFAKOSRZYDFLR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.751,222-825-7,3623-52-7,(±)-isomenthol,2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.754,222-828-3,3624-68-8,Sodium 6-(5-chloro-2-hydroxy-4-sulphophenylazo)-5-hydroxynaphthalene-1-sulphonate,sodium 6-[(5-chloro-2-hydroxy-4-sulfophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate,[Na+].O=S(O)(=O)c1cc(O)c(cc1Cl)N=Nc3ccc2c(cccc2c3O)S([O-])(=O)=O,[Na+].O=S(O)(=O)c1cc(O)c(cc1Cl)N=Nc3ccc2c(cccc2c3O)S([O-])(=O)=O,"InChI=1/C16H11ClN2O8S2.Na/c17-10-6-12(13(20)7-15(10)29(25,26)27)19-18-11-5-4-8-9(16(11)21)2-1-3-14(8)28(22,23)24;/h1-7,20-21H,(H,22,23,24)(H,25,26,27);/q;+1/p-1",C16H11ClN2O8S2.2Na,,,,,,LCBZUUSPZFKEGO-UHFFFAOYSA-M,,,,,,,,,,,
100.039.248,243-189-7,19619-23-9,"Methyl 3-oxo-7-phenyl-2,4,10-trioxa-7-azaundecan-11-oate","dimethyl (phenylimino)diethane-2,1-diyl biscarbonate",COC(=O)OCCN(CCOC(=O)OC)c1ccccc1,COC(=O)OCCN(CCOC(=O)OC)c1ccccc1,"InChI=1/C14H19NO6/c1-18-13(16)20-10-8-15(9-11-21-14(17)19-2)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3",C14H19NO6,,,,,,HVKZGWQNGBBGAB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.251,243-192-3,19620-37-2,"4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one","4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one",CC1=CC(O)CC(C)(C)C1=O,CC1=CC(O)CC(C)(C)C1=O,"InChI=1/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3",C9H14O2,,,,,,CZWSBAFIAZKCRV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.255,243-197-0,19638-16-5,Hydroxytetraphenylantimony,hydroxy(tetraphenyl)stiborane,O[Sb](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4,O[Sb](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/4C6H5.H2O.Sb/c4*1-2-4-6-5-3-1;;/h4*1-5H;1H2;/q;;;;;+1/p-1/rC24H21OSb/c25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H",C24H21OSb,,,,,,SROFHTWEIJBMNA-UHFFFAOYSA-M,,,,,,,,,,,
100.039.258,243-200-5,19645-77-3,5-chlorobarbituric acid,"5-chloropyrimidine-2,4,6(1H,3H,5H)-trione",ClC1C(=O)NC(=O)NC1=O,ClC1C(=O)NC(=O)NC1=O,"InChI=1/C4H3ClN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10)",C4H3ClN2O3,,,,,,XDDWKERRJNWQIL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.260,243-202-6,19649-68-4,3-[p-[(2-chloro-4-nitrophenyl)azo]-N-phenethylanilino]propiononitrile,3-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-phenylethyl)amino]propanenitrile,[O-][N+](=O)c1ccc(N=Nc2ccc(cc2)N(CCC#N)CCc3ccccc3)c(Cl)c1,[O-][N+](=O)c1ccc(N=Nc2ccc(cc2)N(CCC#N)CCc3ccccc3)c(Cl)c1,"InChI=1/C23H20ClN5O2/c24-22-17-21(29(30)31)11-12-23(22)27-26-19-7-9-20(10-8-19)28(15-4-14-25)16-13-18-5-2-1-3-6-18/h1-3,5-12,17H,4,13,15-16H2",C23H20ClN5O2,,,,,,VIVXNXDTARWBMT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.261,243-203-1,19651-44-6,S-methyl-DL-cysteine,S-methyl-L-cysteine,CSC[C@H](N)C(=O)O,CSC[C@H](N)C(=O)O,"InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2S,,,,,,IDIDJDIHTAOVLG-VKHMYHEASA-N,,,,,,,,,,,
100.039.266,243-208-9,19660-16-3,"2,3-dibromopropyl acrylate","2,3-dibromopropyl acrylate",BrCC(Br)COC(=O)C=C,BrCC(Br)COC(=O)C=C,"InChI=1/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2",C6H8Br2O2,,,,,,MUKJDVAYJDKPAG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.267,243-209-4,19660-77-6,"(2S-trans)-18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionic acid","3-(2-carboxyethyl)-5-(carboxymethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2H,3H-porphine-7-carboxylic acid",CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)O)C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)O)C(=C3C)C(=O)O,CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)O)C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)O)C(=C3C)C(=O)O,"InChI=1/C34H34N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)",C34H36N4O6,,,,,,UGTRVJHIKNMHLL-UWJYYQICSA-N,,,,,,,,,,,
100.039.275,243-218-3,19670-51-0,"(±)-2,3-dihydroxypropyl palmitate","2,3-dihydroxypropyl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(O)CO,CCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",C19H38O4,,,,,,QHZLMUACJMDIAE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.277,243-220-4,19675-63-9,4-(2-carboxyvinyl)benzoic acid,4-(2-carboxyvinyl)benzoic acid,OC(=O)\\C=C\\c1ccc(cc1)C(=O)O,OC(=O)\C=C\c1ccc(cc1)C(=O)O,"InChI=1/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)",C10H8O4,,,,,,HAEJSGLKJYIYTB-ZZXKWVIFSA-N,,,,,,,,,,,
100.039.278,243-222-5,19679-75-5,2-methyltetrahydrofuran-2-carbonitrile,2-methyltetrahydrofuran-2-carbonitrile,CC1(CCCO1)C#N,CC1(CCCO1)C#N,"InChI=1/C6H9NO/c1-6(5-7)3-2-4-8-6/h2-4H2,1H3",C6H9NO,,,,,,ANKPAVMLGPOZOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.745,249-235-2,28802-49-5,Dimethylfuran,"2,3-dimethylfuran",Cc1occc1C,Cc1occc1C,"InChI=1/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3",C6H8O,,,,,,FJSKXQVRKZTKSI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.500,243-466-2,20017-67-8,"3,3-diphenylpropanol","3,3-diphenylpropan-1-ol",OCCC(c1ccccc1)c2ccccc2,OCCC(c1ccccc1)c2ccccc2,"InChI=1/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",C15H16O,,,,,,IDCXQMVSIIJUEH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.502,243-468-3,20018-09-1,p-[(diiodomethyl)sulphonyl]toluene,1-[(diiodomethyl)sulfonyl]-4-methylbenzene,Cc1ccc(cc1)S(=O)(=O)C(I)I,Cc1ccc(cc1)S(=O)(=O)C(I)I,"InChI=1/C8H8I2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H3",C8H8I2O2S,,,,,,XOILGBPDXMVFIP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.274,227-802-5,6/04/5985,Hydrohydrastinine hydrochloride,"6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline hydrochloride",Cl.CN1CCc2cc3OCOc3cc2C1,Cl.CN1CCc2cc3OCOc3cc2C1,"InChI=1/C11H13NO2.ClH/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12;/h4-5H,2-3,6-7H2,1H3;1H",C11H13NO2.ClH,,,,,,VVTDRPAONFOQAE-UHFFFAOYSA-N,,,,,,,,,,,
100.025.279,227-807-2,5986-55-0,"[1R-(1a,4ß,4aa,6ß,8aa)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol","4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol",CC1CCC2(O)C(C)(C)C3CCC2(C)C1C3,CC1CCC2(O)C(C)(C)C3CCC2(C)C1C3,"InChI=1/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3",C15H26O,,,,,,GGHMUJBZYLPWFD-UHFFFAOYSA-N,,,,,,,,,,,
100.025.288,227-817-7,5991-71-9,"Potassium 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate","potassium 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate",[K+].[O-]C(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,[K+].[O-]C(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,"InChI=1/C16H11ClN2O3.K/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;/h1-8,14H,(H,18,20)(H,21,22);/q;+1/p-1",C16H11ClN2O3.K,,,,,,ULEUKTXFAJZAAV-UHFFFAOYSA-M,,,,,,,,,,,
100.025.290,227-819-8,5992-90-5,N-[N-[(benzyloxy)carbonyl]-L-valyl]-L-tyrosinohydrazide,benzyl (1-{[2-hydrazino-1-(4-hydroxybenzyl)-2-oxoethyl]carbamoyl}-2-methylpropyl)carbamate (non-preferred name),CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc2ccc(O)cc2)C(=O)NN,CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc2ccc(O)cc2)C(=O)NN,"InChI=1/C22H28N4O5/c1-14(2)19(25-22(30)31-13-16-6-4-3-5-7-16)21(29)24-18(20(28)26-23)12-15-8-10-17(27)11-9-15/h3-11,14,18-19,27H,12-13,23H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)",C22H28N4O5,,,,,,MXPWFEYHDRBDHR-UHFFFAOYSA-N,,,,,,,,,,,
100.025.291,227-820-3,5993-91-9,Benzimidazol-2-ylmethylamine dihydrochloride hydrate,1-(1H-benzimidazol-2-yl)methanamine dihydrochloride hydrate,O.Cl.Cl.NCc1nc2ccccc2[nH]1,O.Cl.Cl.NCc1nc2ccccc2[nH]1,"InChI=1/C8H9N3.2ClH.H2O/c9-5-8-10-6-3-1-2-4-7(6)11-8;;;/h1-4H,5,9H2,(H,10,11);2*1H;1H2",C8H9N3.2ClH,,,,,,QHEZHWNFSVYUGT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.296,227-826-6,5995-27-7,[(propylimino)bis(methylene)]diphosphonic acid,[(propylimino)bis(methylene)]bis(phosphonic acid),CCCN(CP(=O)(O)O)CP(=O)(O)O,CCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C5H15NO6P2/c1-2-3-6(4-13(7,8)9)5-14(10,11)12/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)",C5H15NO6P2,,,,,,HSEVIBLFMJQZMK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.331,232-263-4,7803-62-5,Silane,silane,[SiH4],[SiH4],InChI=1/H4Si/h1H4,H4Si,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1963,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.331,BLRPTPMANUNPDV-UHFFFAOYSA-N,,,,,,,,,,,
100.029.333,232-266-0,7803-65-8,Ammonium phosphinate,ammonium phosphinate,[NH4+].[O-]P=O,[NH4+].[O-]P=O,"InChI=1/H3N.HO2P/c;1-3-2/h1H3;(H,1,2)",H3N.H3O2P,,,,,,AKYKNEHYFVLCTH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.875,227-361-9,5805-39-0,2-(1H-benzimidazol-2-yl)aniline,2-(1H-benzimidazol-2-yl)aniline,Nc1ccccc1c2nc3ccccc3[nH]2,Nc1ccccc1c2nc3ccccc3[nH]2,"InChI=1/C13H11N3/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2,(H,15,16)",C13H11N3,,,,,,YWNXHTNWOQHFRL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.884,227-371-3,5809-59-6,2-hydroxy-3-butenenitrile,2-hydroxybut-3-enenitrile,OC(C=C)C#N,OC(C=C)C#N,"InChI=1/C4H5NO/c1-2-4(6)3-5/h2,4,6H,1H2",C4H5NO,,,,,,WKFMHXZXCCJSJK-UHFFFAOYSA-N,,,,,,,,,,,
100.026.846,229-530-2,6591-56-6,Dibismuth tritartrate,dibismuth tritartrate,[BiH3+3].[BiH3+3].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],[BiH3+3].[BiH3+3].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/3C4H6O6.2Bi.6H/c3*5-1(3(7)8)2(6)4(9)10;;;;;;;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3C4H6O6.2BiH3/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);2*1H3/q;;;2*+3/p-6",C4H6O6.2/3Bi,,,,,,SBSHHSJCRXWFPY-UHFFFAOYSA-H,,,,,,,,,,,
100.026.847,229-531-8,6591-57-7,Bismuth tris[12-(butylthio)dodecanoate],bismuth(3+) tris[12-(butylsulfanyl)dodecanoate],[BiH3+3].CCCCSCCCCCCCCCCCC(=O)[O-].CCCCSCCCCCCCCCCCC(=O)[O-].CCCCSCCCCCCCCCCCC(=O)[O-],[BiH3+3].CCCCSCCCCCCCCCCCC(=O)[O-].CCCCSCCCCCCCCCCCC(=O)[O-].CCCCSCCCCCCCCCCCC(=O)[O-],"InChI=1/3C16H32O2S.Bi.3H/c3*1-2-3-14-19-15-12-10-8-6-4-5-7-9-11-13-16(17)18;;;;/h3*2-15H2,1H3,(H,17,18);;;;/q;;;+3;;;/p-3/r3C16H32O2S.BiH3/c3*1-2-3-14-19-15-12-10-8-6-4-5-7-9-11-13-16(17)18;/h3*2-15H2,1H3,(H,17,18);1H3/q;;;+3/p-3",C16H32O2S.1/3Bi,,,,,,YPQUPRMTHACGAX-UHFFFAOYSA-K,,,,,,,,,,,
100.026.853,229-538-6,6598-62-5,"Trisodium 4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl-4'-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-2,2'-disulphonate","trisodium 4-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]-5,5'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-2,2'-disulfonate",[Na+].[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(c(cc2C)c5cc(C)c(N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)cc5S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(C)cc6,[Na+].[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(c(cc2C)c5cc(C)c(N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)cc5S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(C)cc6,"InChI=1/C37H30N4O13S4.3Na/c1-21-8-14-26(15-9-21)58(52,53)54-25-12-10-24(11-13-25)38-39-31-18-35(56(46,47)48)29(16-22(31)2)30-17-23(3)32(19-36(30)57(49,50)51)40-41-33-20-34(55(43,44)45)27-6-4-5-7-28(27)37(33)42;;;/h4-20,42H,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C37H30N4O13S4.3Na,,,,,,VIIUOXGZDWUVCX-UHFFFAOYSA-K,,,,,,,,,,,
100.039.252,243-193-9,19622-19-6,S-ethyl N-(dimethylaminopropyl)thiocarbamate hydrochloride,S-ethyl [1-(dimethylamino)propyl]thiocarbamate hydrochloride,Cl.CCSC(=O)NC(CC)N(C)C,Cl.CCSC(=O)NC(CC)N(C)C,"InChI=1/C8H18N2OS.ClH/c1-5-7(10(3)4)9-8(11)12-6-2;/h7H,5-6H2,1-4H3,(H,9,11);1H",C8H18N2OS.ClH,,,,,,PANVFJYJFUSCQU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.257,243-199-1,19643-45-9,"2,6-dibromo-p-benzoquinone","2,6-dibromo-1,4-benzoquinone",BrC1=CC(=O)C=C(Br)C1=O,BrC1=CC(=O)C=C(Br)C1=O,InChI=1/C6H2Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,C6H2Br2O2,,,,,,FGHCYIPZQUMLRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.259,243-201-0,19647-70-2,S-(acetamidomethyl)-L-cysteine,N-(acetamidomethyl)-L-cysteine,CC(=O)NCN[C@@H](CS)C(=O)O,CC(=O)NCN[C@@H](CS)C(=O)O,"InChI=1/C6H12N2O3S/c1-4(9)7-3-8-5(2-12)6(10)11/h5,8,12H,2-3H2,1H3,(H,7,9)(H,10,11)",C6H12N2O3S,,,,,,PZNOHYAFEHKUJJ-YFKPBYRVSA-N,,,,,,,,,,,
100.039.263,243-205-2,19653-33-9,Ethyl piperidine-1-propionate,ethyl 3-piperidin-1-ylpropanoate,CCOC(=O)CCN1CCCCC1,CCOC(=O)CCN1CCCCC1,"InChI=1/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3",C10H19NO2,,,,,,MPAWVDTVWPPKJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.268,243-211-5,19662-59-0,Copper methacrylate,copper(1+) methacrylate,[Cu+].CC(=C)C(=O)[O-],[Cu+].CC(=C)C(=O)[O-],"InChI=1/C4H6O2.Cu/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",C4H6O2.xCu,,,,,,GZMLYGQURVFHLG-UHFFFAOYSA-M,,,,,,,,,,,
100.039.276,243-219-9,19672-24-3,"Disodium 4,4'-azobisbenzoate","disodium 4,4'-diazene-1,2-diyldibenzoate",[Na+].[Na+].[O-]C(=O)c2ccc(N=Nc1ccc(cc1)C([O-])=O)cc2,[Na+].[Na+].[O-]C(=O)c2ccc(N=Nc1ccc(cc1)C([O-])=O)cc2,"InChI=1/C14H10N2O4.2Na/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20;;/h1-8H,(H,17,18)(H,19,20);;/q;2*+1/p-2",C14H10N2O4.2Na,,,,,,AOUWWAFLSCTHIF-UHFFFAOYSA-L,,,,,,,,,,,
100.039.279,243-223-0,19683-09-1,"7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-3-phenyl-2-benzopyrone","7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-3-phenyl-2H-chromen-2-one",Cc1nn(nc1c2ccccc2)c3ccc4C=C(C(=O)Oc4c3)c5ccccc5,Cc1nn(nc1c2ccccc2)c3ccc4C=C(C(=O)Oc4c3)c5ccccc5,"InChI=1/C24H17N3O2/c1-16-23(18-10-6-3-7-11-18)26-27(25-16)20-13-12-19-14-21(17-8-4-2-5-9-17)24(28)29-22(19)15-20/h2-15H,1H3",C24H17N3O2,,,,,,CLBWALOVEYKEEL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.280,243-224-6,19685-21-3,"2,5,8,11-tetraoxatetradec-13-ene","2,5,8,11-tetraoxatetradec-13-ene",COCCOCCOCCOCC=C,COCCOCCOCCOCC=C,"InChI=1/C10H20O4/c1-3-4-12-7-8-14-10-9-13-6-5-11-2/h3H,1,4-10H2,2H3",C10H20O4,,,,,,QOQTULDKYFWBLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.740,249-230-5,28798-28-9,S-(acetamidomethyl)-L-cysteine monohydrochloride,N-(acetamidomethyl)-L-cysteine hydrochloride,Cl.CC(=O)NCN[C@@H](CS)C(=O)O,Cl.CC(=O)NCN[C@@H](CS)C(=O)O,"InChI=1/C6H12N2O3S.ClH/c1-4(9)7-3-8-5(2-12)6(10)11;/h5,8,12H,2-3H2,1H3,(H,7,9)(H,10,11);1H",C6H12N2O3S.ClH,,,,,,QJYSXZHTKNMTMY-JEDNCBNOSA-N,,,,,,,,,,,
100.044.743,249-233-1,28801-70-9,Diisodecyl succinate,bis(8-methylnonyl) succinate,CC(C)CCCCCCCOC(=O)CCC(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)CCC(=O)OCCCCCCCC(C)C,"InChI=1/C24H46O4/c1-21(2)15-11-7-5-9-13-19-27-23(25)17-18-24(26)28-20-14-10-6-8-12-16-22(3)4/h21-22H,5-20H2,1-4H3",C24H46O4,,,,,,BQSLMFSQEBXZHN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.747,249-237-3,28804-47-9,Methyl toluenesulphonate,methyl 2-methylbenzenesulfonate,COS(=O)(=O)c1ccccc1C,COS(=O)(=O)c1ccccc1C,"InChI=1/C8H10O3S/c1-7-5-3-4-6-8(7)12(9,10)11-2/h3-6H,1-2H3",C8H10O3S,,,,,,AXCVRQKOVCRCIX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.518,243-486-1,20055-98-5,Sodium 2-hydroxy-3-mercaptopropanesulphonate,sodium 2-hydroxy-3-sulfanylpropane-1-sulfonate,[Na+].OC(CS)CS(=O)(=O)[O-],[Na+].OC(CS)CS(=O)(=O)[O-],"InChI=1/C3H8O4S2.Na/c4-3(1-8)2-9(5,6)7;/h3-4,8H,1-2H2,(H,5,6,7);/q;+1/p-1",C3H8O4S2.Na,,,,,,WBZSEACLCTWMGY-UHFFFAOYSA-M,,,,,,,,,,,
100.039.520,243-488-2,20056-92-2,(Z)-dodec-7-enol,dodec-7-en-1-ol,CCCC\\C=C/CCCCCCO,CCCC\C=C/CCCCCCO,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,7-12H2,1H3",C12H24O,,,,,,WWDOVTHLTQFGOZ-WAYWQWQTSA-N,,,,,,,,,,,
100.039.523,243-491-9,20059-73-8,p-[2-(dimethylamino)ethoxy]benzylamine,"2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine",CN(C)CCOc1ccc(CN)cc1,CN(C)CCOc1ccc(CN)cc1,"InChI=1/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3",C11H18N2O,,,,,,OBHPRQNPNGQGCK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.524,243-492-4,20061-84-1,Diethyl [2-(cyclohexylamino)vinyl]phosphonate,diethyl [2-(cyclohexylamino)vinyl]phosphonate,CCOP(=O)(OCC)\\C=C\\NC1CCCCC1,CCOP(=O)(OCC)\C=C\NC1CCCCC1,"InChI=1/C12H24NO3P/c1-3-15-17(14,16-4-2)11-10-13-12-8-6-5-7-9-12/h10-13H,3-9H2,1-2H3",C12H24NO3P,,,,,,GCOCYGLSBKOTBU-ZHACJKMWSA-N,,,,,,,,,,,
100.039.527,243-496-6,20068-02-4,(Z)-2-methyl-2-butenenitrile,2-methylbut-2-enenitrile,C\\C=C(\\C)/C#N,C\C=C(\C)/C#N,"InChI=1/C5H7N/c1-3-5(2)4-6/h3H,1-2H3",C5H7N,,,,,,IHXNSHZBFXGOJM-HYXAFXHYSA-N,,,,,,,,,,,
100.039.531,243-500-6,20073-51-2,"2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nonylphenol","2,6-bis{[bis(2-hydroxyethyl)amino]methyl}-4-nonylphenol",CCCCCCCCCc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1,CCCCCCCCCc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1,"InChI=1/C25H46N2O5/c1-2-3-4-5-6-7-8-9-22-18-23(20-26(10-14-28)11-15-29)25(32)24(19-22)21-27(12-16-30)13-17-31/h18-19,28-32H,2-17,20-21H2,1H3",C25H46N2O5,,,,,,HUFXECXTFFUYQG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.758,222-833-0,3625-81-8,"(1,4-benzodioxan-2-ylmethyl)guanidinium sulphate","bis[amino-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)iminomethanaminium] sulfate",NC(=N)[NH2+]CC1COc2ccccc2O1.NC(=N)[NH2+]CC3COc4ccccc4O3.[O-]S(=O)(=O)[O-],NC(=N)[NH2+]CC1COc2ccccc2O1.NC(=N)[NH2+]CC3COc4ccccc4O3.[O-]S(=O)(=O)[O-],"InChI=1/2C10H13N3O2.H2O4S/c2*11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7;1-5(2,3)4/h2*1-4,7H,5-6H2,(H4,11,12,13);(H2,1,2,3,4)",C10H13N3O2.xH2O4S,,,,,,NSGHAKPGHCNTPS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.759,222-834-6,3626-13-9,Methylmercury benzoate,methylmercury(1+) benzoate,C[Hg+].[O-]C(=O)c1ccccc1,C[Hg+].[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.CH3.Hg/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;;+1/p-1/rC7H6O2.CH3Hg/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);1H3/q;+1/p-1",C8H8HgO2,,,,,,WKDZZKIPDBZSRW-UHFFFAOYSA-M,,,,,,,,,,,
100.020.761,222-836-7,3626-30-0,Trisodium 8-[[4-[(4-aminophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,trisodium 5-{[4-({4-[(4-aminophenyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}-6-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccc(N)cc2)ccc7N=Nc6ccc(N=Nc3c4ccc(cc4ccc3O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccc(N)cc2)ccc7N=Nc6ccc(N=Nc3c4ccc(cc4ccc3O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,"InChI=1/C36H25N7O10S3.3Na/c37-21-2-4-22(5-3-21)38-39-33-14-12-31(27-10-7-24(18-29(27)33)55(48,49)50)40-41-34-15-13-32(28-11-8-25(19-30(28)34)56(51,52)53)42-43-36-26-9-6-23(54(45,46)47)17-20(26)1-16-35(36)44;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C36H25N7O10S3.3Na,,,,,,IQFQVVOOEPYCAH-UHFFFAOYSA-K,,,,,,,,,,,
100.020.767,222-843-5,8/01/3627,"4-[(2,4-dihydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-[(2,4-dihydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",Oc3cc(O)ccc3N=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O,Oc3cc(O)ccc3N=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C16H12N2O9S2/c19-9-1-2-12(14(20)5-9)17-18-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13/h1-7,19-21H,(H,22,23,24)(H,25,26,27)",C16H12N2O9S2,,,,,,BTEWRTUJKSQHIE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.769,222-845-6,3627-47-2,"N,N'-bis(9,10-dihydro-9,10-dioxo-1-anthryl)isophthaldiamide","N,N'-bis(9,10-dioxo-9,10-dihydroanthracen-1-yl)isophthalamide",O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4cccc(c4)C(=O)Nc5cccc6C(=O)c7ccccc7C(=O)c56,O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4cccc(c4)C(=O)Nc5cccc6C(=O)c7ccccc7C(=O)c56,"InChI=1/C36H20N2O6/c39-31-21-10-1-3-12-23(21)33(41)29-25(31)14-6-16-27(29)37-35(43)19-8-5-9-20(18-19)36(44)38-28-17-7-15-26-30(28)34(42)24-13-4-2-11-22(24)32(26)40/h1-18H,(H,37,43)(H,38,44)",C36H20N2O6,,,,,,KNRXJDRHZHRIBB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.770,222-846-1,3627-49-4,Phenoperidine hydrochloride,ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride,Cl.CCOC(=O)C1(CCN(CCC(O)c2ccccc2)CC1)c3ccccc3,Cl.CCOC(=O)C1(CCN(CCC(O)c2ccccc2)CC1)c3ccccc3,"InChI=1/C23H29NO3.ClH/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19;/h3-12,21,25H,2,13-18H2,1H3;1H",C23H29NO3.ClH,,,,,,HGEAGOBQOIMDQV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.773,222-849-8,3634-08-0,"6,6'-[[6-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bisnaphth[2,3-c]acridine-5,8,14(13H)-trione","6,6'-[(6-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-1,3,5-triazine-2,4-diyl)diimino]bisnaphtho[2,3-c]acridine-5,8,14(13H)-trione",FC(F)(F)c1ccc(Cl)c(Nc2nc(Nc3cc4C(=O)c5ccccc5Nc4c6C(=O)c7ccccc7C(=O)c36)nc(Nc8cc9C(=O)c%10ccccc%10Nc9c%11C(=O)c%12ccccc%12C(=O)c8%11)n2)c1,FC(F)(F)c1ccc(Cl)c(Nc2nc(Nc3cc4C(=O)c5ccccc5Nc4c6C(=O)c7ccccc7C(=O)c36)nc(Nc8cc9C(=O)c%10ccccc%10Nc9c%11C(=O)c%12ccccc%12C(=O)c8%11)n2)c1,"InChI=1/C52H26ClF3N8O6/c53-31-18-17-22(52(54,55)56)19-34(31)59-49-62-50(60-35-20-29-41(57-32-15-7-5-13-27(32)43(29)65)39-37(35)45(67)23-9-1-3-11-25(23)47(39)69)64-51(63-49)61-36-21-30-42(58-33-16-8-6-14-28(33)44(30)66)40-38(36)46(68)24-10-2-4-12-26(24)48(40)70/h1-21H,(H,57,65)(H,58,66)(H3,59,60,61,62,63,64)",C52H26ClF3N8O6,,,,,,LVEMSNXYZZDGII-UHFFFAOYSA-N,,,,,,,,,,,
100.020.776,222-852-4,3634-83-1,"1,3-bis(isocyanatomethyl)benzene","1,3-bis(isocyanatomethyl)benzene",O=C=NCc1cccc(CN=C=O)c1,O=C=NCc1cccc(CN=C=O)c1,"InChI=1/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2",C10H8N2O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5822,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.776,RTTZISZSHSCFRH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.778,222-855-0,3634-92-2,Propyl stearate,propyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCC,CCCCCCCCCCCCCCCCCC(=O)OCCC,"InChI=1/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h3-20H2,1-2H3",C21H42O2,,,,,,BTAXGNQLYFDKEF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.783,222-860-8,3637-26-1,Dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl](3-sulphopropyl)ammonium hydroxide,"N-[2-(methacryloyloxy)ethyl]-N,N-dimethyl-3-sulfopropan-1-aminium hydroxide",[OH-].CC(=C)C(=O)OCC[N+](C)(C)CCCS(=O)(=O)O,[OH-].CC(=C)C(=O)OCC[N+](C)(C)CCCS(=O)(=O)O,"InChI=1/C11H21NO5S.H2O/c1-10(2)11(13)17-8-7-12(3,4)6-5-9-18(14,15)16;/h1,5-9H2,2-4H3;1H2",C11H21NO5S,,,,,,BKJSEABPEJIDQT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.784,216-262-6,1538-62-1,Bis(acetato-O-)triphenylantimony,diacetoxy(triphenyl)stiborane,CC(=O)O[Sb](OC(=O)C)(c1ccccc1)(c2ccccc2)c3ccccc3,CC(=O)O[Sb](OC(=O)C)(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.2C2H4O2.Sb/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2/rC22H21O4Sb/c1-18(23)25-27(26-19(2)24,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1-2H3",C22H21O4Sb,,,,,,MPOFCRCFZPKTCF-UHFFFAOYSA-L,,,,,,,,,,,
100.014.785,216-263-1,1538-75-6,Trimethylacetic anhydride,"2,2-dimethylpropanoic anhydride",CC(C)(C)C(=O)OC(=O)C(C)(C)C,CC(C)(C)C(=O)OC(=O)C(C)(C)C,"InChI=1/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3",C10H18O3,,,,,,PGZVFRAEAAXREB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.503,243-469-9,20025-74-5,"Trisodium 3-[[4-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]phenyl]azo]naphthalene-1,5,7-trisulphonate","trisodium 7-{[4-({4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}diazenyl)phenyl]diazenyl}naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(N=Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)cc4)c(Cl)c(Cl)n5,[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(N=Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)cc4)c(Cl)c(Cl)n5,"InChI=1/C26H16Cl3N7O9S3.3Na/c27-23-24(28)31-26(29)32-25(23)30-13-1-3-14(4-2-13)33-34-15-5-7-16(8-6-15)35-36-17-9-19-20(21(10-17)47(40,41)42)11-18(46(37,38)39)12-22(19)48(43,44)45;;;/h1-12H,(H,30,31,32)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C26H16Cl3N7O9S3.3Na,,,,,,FRBAGNOAEDOWSE-UHFFFAOYSA-K,,,,,,,,,,,
100.039.504,243-470-4,20028-80-2,"1,2,4-benzotriazin-3-amine","1,2,4-benzotriazin-3-amine",Nc1nnc2ccccc2n1,Nc1nnc2ccccc2n1,"InChI=1/C7H6N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,8,9,11)",C7H6N4,,,,,,BHHRGAKNBXQGIO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.505,243-472-5,20029-52-1,4-cyclohexylbenzoic acid,4-cyclohexylbenzoic acid,OC(=O)c1ccc(cc1)C2CCCCC2,OC(=O)c1ccc(cc1)C2CCCCC2,"InChI=1/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)",C13H16O2,,,,,,QCIWHVKGVVQHIY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.508,243-475-1,20034-71-3,o-(chloromethyl)cumene,1-(chloromethyl)-2-isopropylbenzene,CC(C)c1ccccc1CCl,CC(C)c1ccccc1CCl,"InChI=1/C10H13Cl/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,7H2,1-2H3",C10H13Cl,,,,,,ABJGYUSFOIMJPT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.509,243-476-7,20036-08-2,"4-chloro-N-(5-hydroxy-1,5-dimethylhexyl)-3-sulphamoylbenzamide","4-chloro-N-(5-hydroxy-1,5-dimethylhexyl)-3-sulfamoylbenzamide",CC(CCCC(C)(C)O)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N,CC(CCCC(C)(C)O)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N,"InChI=1/C15H23ClN2O4S/c1-10(5-4-8-15(2,3)20)18-14(19)11-6-7-12(16)13(9-11)23(17,21)22/h6-7,9-10,20H,4-5,8H2,1-3H3,(H,18,19)(H2,17,21,22)",C15H23ClN2O4S,,,,,,FIUYBIDMMLCVBY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.512,243-479-3,20043-92-9,1-hydroxy-N-octadecylnaphthalene-2-carboxamide,1-hydroxy-N-octadecyl-2-naphthamide,CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O,CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O,"InChI=1/C29H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-29(32)27-23-22-25-20-17-18-21-26(25)28(27)31/h17-18,20-23,31H,2-16,19,24H2,1H3,(H,30,32)",C29H45NO2,,,,,,BKWIMUORHSANHY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.519,243-487-7,20056-66-0,m-pentylphenol,3-pentylphenol,CCCCCc1cccc(O)c1,CCCCCc1cccc(O)c1,"InChI=1/C11H16O/c1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-9,12H,2-4,6H2,1H3",C11H16O,,,,,,LWZQGUMHXPGQAF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.522,243-490-3,20059-62-5,Methyl 2-methyl-N-phenylalaninate,methyl 2-methyl-N-phenylalaninate,COC(=O)C(C)(C)Nc1ccccc1,COC(=O)C(C)(C)Nc1ccccc1,"InChI=1/C11H15NO2/c1-11(2,10(13)14-3)12-9-7-5-4-6-8-9/h4-8,12H,1-3H3",C11H15NO2,,,,,,UWSZDTKNLYGFOX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.528,243-497-1,20073-13-6,"Methyl [1a,2ß(Z)]-(±)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate",methyl (3-oxo-2-pent-2-en-1-ylcyclopentyl)acetate,CCC=CCC1C(CC(=O)OC)CCC1=O,CCC=CCC1C(CC(=O)OC)CCC1=O,"InChI=1/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3",C13H20O3,,,,,,GEWDNTWNSAZUDX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.532,243-501-1,20073-52-3,a-[bis(2-hydroxyethyl)amino]-4-nonyl-o-cresol,2-{[bis(2-hydroxyethyl)amino]methyl}-4-nonylphenol,CCCCCCCCCc1ccc(O)c(CN(CCO)CCO)c1,CCCCCCCCCc1ccc(O)c(CN(CCO)CCO)c1,"InChI=1/C20H35NO3/c1-2-3-4-5-6-7-8-9-18-10-11-20(24)19(16-18)17-21(12-14-22)13-15-23/h10-11,16,22-24H,2-9,12-15,17H2,1H3",C20H35NO3,,,,,,SRFJBZVWGULNFE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.536,243-505-3,20075-26-7,1-(methoxymethyl)-1H-imidazole,1-(methoxymethyl)-1H-imidazole,COCn1ccnc1,COCn1ccnc1,"InChI=1/C5H8N2O/c1-8-5-7-3-2-6-4-7/h2-4H,5H2,1H3",C5H8N2O,,,,,,XJGYZYRJUUMCAP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.487,224-734-8,5/06/4467,2-(p-tolyl)pyridine,2-(4-methylphenyl)pyridine,Cc1ccc(cc1)c2ccccn2,Cc1ccc(cc1)c2ccccn2,"InChI=1/C12H11N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h2-9H,1H3",C12H11N,,,,,,KJNZQKYSNAQLEO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.496,224-744-2,4471-51-6,N-(aminoiminomethyl)formamide,1-formylguanidine,NC(=N)NC=O,NC(=N)NC=O,"InChI=1/C2H5N3O/c3-2(4)5-1-6/h1H,(H4,3,4,5,6)",C2H5N3O,,,,,,XEBPBJPZBUSUEO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.498,224-746-3,4472-92-8,Cinnamylidenemalonic acid,(3-phenylprop-2-en-1-ylidene)malonic acid,OC(=O)/C(=C\\C=Cc1ccccc1)C(O)=O,OC(=O)/C(=C\C=Cc1ccccc1)C(O)=O,"InChI=1/C12H10O4/c13-11(14)10(12(15)16)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14)(H,15,16)",C12H10O4,,,,,,BLPUXJIIRIWMSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.630,219-392-1,2429-83-6,"Disodium 4-amino-3-[[4'-[(2,4-diamino-5-methylphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4'-[(2,4-diamino-5-methylphenyl)diazenyl]biphenyl-4-yl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Cc6cc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)cc6N,[Na+].[Na+].Cc6cc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)cc6N,"InChI=1/C35H29N9O7S2.2Na/c1-19-15-28(27(37)18-26(19)36)42-39-24-11-7-20(8-12-24)21-9-13-25(14-10-21)41-43-33-29(52(46,47)48)16-22-17-30(53(49,50)51)34(35(45)31(22)32(33)38)44-40-23-5-3-2-4-6-23;;/h2-18,45H,36-38H2,1H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2",C35H29N9O7S2.2Na,,,,,,LWPZXDCHPRMLBN-UHFFFAOYSA-L,,,,,,,,,,,
100.017.632,219-394-2,2430-27-5,Valpromide,2-propylpentanamide,CCCC(CCC)C(=O)N,CCCC(CCC)C(=O)N,"InChI=1/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)",C8H17NO,,,,,,OMOMUFTZPTXCHP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.854,229-539-1,6598-63-6,Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate,trisodium 4-{[1-hydroxy-6-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonato-2-naphthyl]carbamoyl}amino)-3-sulfonato-2-naphthyl]diazenyl}benzoate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C([O-])=O)c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C([O-])=O)c6O)S([O-])(=O)=O,"InChI=1/C34H24N6O11S2.3Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C34H24N6O11S2.3Na,,,,,,NEXGZHJENSOMLV-UHFFFAOYSA-K,,,,,,,,,,,
100.026.855,229-540-7,6598-95-4,"9ß,11ß-epoxy-6a-fluoro-21-hydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate","2-(12-fluoro-4a,6a,8,8-tetramethyl-2-oxo-2,5a,6,6a,9a,10,10a,10b,11,12-decahydronaphtho[2',1':4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxol-6b(4aH)-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)C=CC5(C)C46OC6CC23C,CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)C=CC5(C)C46OC6CC23C,"InChI=1/C26H31FO7/c1-13(28)31-12-19(30)26-20(32-22(2,3)34-26)10-15-16-9-18(27)17-8-14(29)6-7-23(17,4)25(16)21(33-25)11-24(15,26)5/h6-8,15-16,18,20-21H,9-12H2,1-5H3",C26H31FO7,,,,,,MQQZOQZVFKAHJB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.866,229-552-2,6606-65-1,Enbucrilate,butyl 2-cyanoacrylate,CCCCOC(=O)C(=C)C#N,CCCCOC(=O)C(=C)C#N,"InChI=1/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3",C8H11NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11564,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.866,JJJFUHOGVZWXNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.867,229-553-8,6606-66-2,Propyl 2-cyanoacrylate,propyl 2-cyanoacrylate,CCCOC(=O)C(=C)C#N,CCCOC(=O)C(=C)C#N,"InChI=1/C7H9NO2/c1-3-4-10-7(9)6(2)5-8/h2-4H2,1H3",C7H9NO2,,,,,,ZTYMNUBYYQNBFP-UHFFFAOYSA-N,,,,,,,,,,,
100.026.873,229-560-6,6609-64-9,"2-chloro-1,3,2-dioxaphospholane 2-oxide","2-chloro-1,3,2-dioxaphospholane 2-oxide",ClP1(=O)OCCO1,ClP1(=O)OCCO1,InChI=1/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2,C2H4ClO3P,,,,,,SBMUNILHNJLMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.500,231-349-9,2/11/7497,"Bis(2,4,6-trichlorophenyl) carbonate","bis(2,4,6-trichlorophenyl) carbonate",Clc1cc(Cl)c(OC(=O)Oc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1,Clc1cc(Cl)c(OC(=O)Oc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1,InChI=1/C13H4Cl6O3/c14-5-1-7(16)11(8(17)2-5)21-13(20)22-12-9(18)3-6(15)4-10(12)19/h1-4H,C13H4Cl6O3,,,,,,JOJNCSKBTSMKKW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.503,231-353-0,7499-56-1,o-bromocinnamic acid,3-(2-bromophenyl)acrylic acid,OC(=O)\\C=C\\c1ccccc1Br,OC(=O)\C=C\c1ccccc1Br,"InChI=1/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)",C9H7BrO2,,,,,,OMHDOOAFLCMRFX-AATRIKPKSA-N,,,,,,,,,,,
100.028.504,231-354-6,7499-60-7,<U+03B3>-oxopyrene-1-butyric acid,4-oxo-4-pyren-1-ylbutanoic acid,OC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34,OC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34,"InChI=1/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23)",C20H14O3,,,,,,AAJQTWWVKREOQP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.507,231-357-2,7504-66-7,4-allyl-2-methoxyphenyl propionate,4-allyl-2-methoxyphenyl propionate,CCC(=O)Oc1ccc(CC=C)cc1OC,CCC(=O)Oc1ccc(CC=C)cc1OC,"InChI=1/C13H16O3/c1-4-6-10-7-8-11(12(9-10)15-3)16-13(14)5-2/h4,7-9H,1,5-6H2,2-3H3",C13H16O3,,,,,,GZKIAPLXSBWPRY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.508,231-358-8,7504-68-9,"3,5-bis(butoxymethyl)tetrahydro-4H-1,3,5-oxadiazin-4-one","3,5-bis(butoxymethyl)-1,3,5-oxadiazinan-4-one",CCCCOCN1COCN(COCCCC)C1=O,CCCCOCN1COCN(COCCCC)C1=O,"InChI=1/C13H26N2O4/c1-3-5-7-17-9-14-11-19-12-15(13(14)16)10-18-8-6-4-2/h3-12H2,1-2H3",C13H26N2O4,,,,,,YOBPNEJRBSOFAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.512,231-363-5,9/01/7507,"3,4-bis(4-hydroxyphenyl)hexane-3,4-diol","3,4-bis(4-hydroxyphenyl)hexane-3,4-diol",CCC(O)(c1ccc(O)cc1)C(O)(CC)c2ccc(O)cc2,CCC(O)(c1ccc(O)cc1)C(O)(CC)c2ccc(O)cc2,"InChI=1/C18H22O4/c1-3-17(21,13-5-9-15(19)10-6-13)18(22,4-2)14-7-11-16(20)12-8-14/h5-12,19-22H,3-4H2,1-2H3",C18H22O4,,,,,,MOGCNGHSEICQCE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.466,229-113-5,6411-75-2,Bis[(1-methylhexyl)ammonium] sulphate,diheptan-2-aminium sulfate,CCCCCC(C)[NH3+].CCCCCC(C)[NH3+].[O-]S(=O)(=O)[O-],CCCCCC(C)[NH3+].CCCCCC(C)[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2C7H17N.H2O4S/c2*1-3-4-5-6-7(2)8;1-5(2,3)4/h2*7H,3-6,8H2,1-2H3;(H2,1,2,3,4)",C7H17N.1/2H2O4S,,,,,,XKUUMWKWUZRRPD-UHFFFAOYSA-N,,,,,,,,,,,
100.026.468,229-115-6,6413-26-9,"2-methyl-1,5-dioxaspiro[5.5]undecane","2-methyl-1,5-dioxaspiro[5.5]undecane",CC1CCOC2(CCCCC2)O1,CC1CCOC2(CCCCC2)O1,"InChI=1/C10H18O2/c1-9-5-8-11-10(12-9)6-3-2-4-7-10/h9H,2-8H2,1H3",C10H18O2,,,,,,AUXQNFDMCKINEC-UHFFFAOYSA-N,,,,,,,,,,,
100.026.469,229-116-1,6413-74-7,"4,4,6-trimethyl-2-(1-propenyl)-1,3-dioxane","4,4,6-trimethyl-2-prop-1-en-1-yl-1,3-dioxane",CC=CC1OC(C)CC(C)(C)O1,CC=CC1OC(C)CC(C)(C)O1,"InChI=1/C10H18O2/c1-5-6-9-11-8(2)7-10(3,4)12-9/h5-6,8-9H,7H2,1-4H3",C10H18O2,,,,,,KYIPJDJFXLVIDL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.490,224-737-4,4468-48-8,Alpha-acetylphenylacetonitrile,3-oxo-2-phenylbutanenitrile,CC(=O)C(C#N)c1ccccc1,CC(=O)C(C#N)c1ccccc1,"InChI=1/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3",C10H9NO,,,,,,KHNWFTMUBKJWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.625,219-386-9,2429-76-7,"Disodium 5,5'-dimethyl-4,4'-bis[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo][1,1'-biphenyl]-2,2'-disulphonate","disodium 5,5'-dimethyl-4,4'-bis{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}biphenyl-2,2'-disulfonate",[Na+].[Na+].CC(=O)C(N=Nc1cc(c(cc1C)c3cc(C)c(N=NC(C(C)=O)C(=O)Nc2ccccc2)cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc4ccccc4,[Na+].[Na+].CC(=O)C(N=Nc1cc(c(cc1C)c3cc(C)c(N=NC(C(C)=O)C(=O)Nc2ccccc2)cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc4ccccc4,"InChI=1/C34H32N6O10S2.2Na/c1-19-15-25(29(51(45,46)47)17-27(19)37-39-31(21(3)41)33(43)35-23-11-7-5-8-12-23)26-16-20(2)28(18-30(26)52(48,49)50)38-40-32(22(4)42)34(44)36-24-13-9-6-10-14-24;;/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C34H32N6O10S2.2Na,,,,,,BASONKABNAOEDG-UHFFFAOYSA-L,,,,,,,,,,,
100.017.626,219-387-4,2429-79-0,"Disodium 5-[[4'-[(1-amino-4-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]salicylate",disodium 5-({4'-[(1-amino-4-sulfonato-2-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4cc(c3ccccc3c4N)S([O-])(=O)=O)cc5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4cc(c3ccccc3c4N)S([O-])(=O)=O)cc5,"InChI=1/C29H21N5O6S.2Na/c30-28-23-4-2-1-3-22(23)27(41(38,39)40)16-25(28)34-32-20-11-7-18(8-12-20)17-5-9-19(10-6-17)31-33-21-13-14-26(35)24(15-21)29(36)37;;/h1-16,35H,30H2,(H,36,37)(H,38,39,40);;/q;2*+1/p-2",C29H21N5O6S.2Na,,,,,,RBOUZBUAZMPIJV-UHFFFAOYSA-L,,,,,,,,,,,
100.017.633,219-395-8,2430-49-1,Vinylbital,"5-(1-methylbutyl)-5-vinylpyrimidine-2,4,6(1H,3H,5H)-trione",CCCC(C)C1(C=C)C(=O)NC(=O)NC1=O,CCCC(C)C1(C=C)C(=O)NC(=O)NC1=O,"InChI=1/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)",C11H16N2O3,,,,,,KGKJZEKQJQQOTD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.638,219-401-9,3/11/2432,m-terphenyl-2'-ol,"1,1':3',1''-terphenyl-2'-ol",Oc1c(cccc1c2ccccc2)c3ccccc3,Oc1c(cccc1c2ccccc2)c3ccccc3,"InChI=1/C18H14O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13,19H",C18H14O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12747,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.638,ATGFTMUSEPZNJD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.641,219-405-0,2432-42-0,S-ethyl propanethioate,S-ethyl propanethioate,CCSC(=O)CC,CCSC(=O)CC,"InChI=1/C5H10OS/c1-3-5(6)7-4-2/h3-4H2,1-2H3",C5H10OS,,,,,,HNEVHBHRLCAKKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.643,219-407-1,2432-51-1,S-methyl butanethioate,S-methyl butanethioate,CCCC(=O)SC,CCCC(=O)SC,"InChI=1/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3",C5H10OS,,,,,,GRLJIIJNZJVMGP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.649,219-413-4,2432-89-5,Didecyl sebacate,didecyl sebacate,CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCC,"InChI=1/C30H58O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-14-18-22-26-30(32)34-28-24-20-16-12-10-8-6-4-2/h3-28H2,1-2H3",C30H58O4,,,,,,HTMDHERCQUESGS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.652,219-417-6,2432-99-7,11-aminoundecanoic acid,11-aminoundecanoic acid,NCCCCCCCCCCC(=O)O,NCCCCCCCCCCC(=O)O,"InChI=1/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)",C11H23NO2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12729,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.652,GUOSQNAUYHMCRU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.654,219-419-7,2433-96-7,Tricosanoic acid,tricosanoic acid,CCCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)",C23H46O2,,,,,,XEZVDURJDFGERA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.236,216-758-2,1658-08-8,"1,2,3,4,5,6,7,8-octahydroacridine","1,2,3,4,5,6,7,8-octahydroacridine",C1CCc2nc3CCCCc3cc2C1,C1CCc2nc3CCCCc3cc2C1,"InChI=1/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9H,1-8H2",C13H17N,,,,,,LLCXJIQXTXEQID-UHFFFAOYSA-N,,,,,,,,,,,
100.015.237,216-759-8,1658-42-0,Methyl 2-pyridylacetate,methyl pyridin-2-ylacetate,COC(=O)Cc1ccccn1,COC(=O)Cc1ccccn1,"InChI=1/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3",C8H9NO2,,,,,,ORAKNQSHWMHCEY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.239,216-761-9,1660-04-4,"Methyl tricyclo[3.3.1.13,7]dec-1-yl ketone",1-adamantan-1-ylethanone,CC(=O)C12CC3CC(CC(C3)C1)C2,CC(=O)C12CC3CC(CC(C3)C1)C2,"InChI=1/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3",C12H18O,,,,,,DACIGVIOAFXPHW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.240,216-762-4,1660-93-1,"3,4,7,8-tetramethyl-1,10-phenanthroline","3,4,7,8-tetramethyl-1,10-phenanthroline",Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C,Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C,"InChI=1/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3",C16H16N2,,,,,,NPAXPTHCUCUHPT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.245,216-768-7,1663-39-4,tert-butyl acrylate,tert-butyl acrylate,CC(C)(C)OC(=O)C=C,CC(C)(C)OC(=O)C=C,"InChI=1/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3",C7H12O2,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/12806,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.245,ISXSCDLOGDJUNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.791,216-269-4,1540-28-9,Ethyl 2-propylacetoacetate,ethyl 2-acetylpentanoate,CCCC(C(=O)C)C(=O)OCC,CCCC(C(=O)C)C(=O)OCC,"InChI=1/C9H16O3/c1-4-6-8(7(3)10)9(11)12-5-2/h8H,4-6H2,1-3H3",C9H16O3,,,,,,VHOACUZAQKMOEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.792,216-271-5,1540-29-0,Ethyl 2-acetylhexanoate,ethyl 2-acetylhexanoate,CCCCC(C(=O)C)C(=O)OCC,CCCCC(C(=O)C)C(=O)OCC,"InChI=1/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3",C10H18O3,,,,,,ZTOQBHVLCJERBS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.795,216-274-1,1540-36-9,"3-butylpentane-2,4-dione","3-butylpentane-2,4-dione",CCCCC(C(=O)C)C(=O)C,CCCCC(C(=O)C)C(=O)C,"InChI=1/C9H16O2/c1-4-5-6-9(7(2)10)8(3)11/h9H,4-6H2,1-3H3",C9H16O2,,,,,,MBXOOYPCIDHXGH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.796,216-275-7,1540-38-1,"3-(1-methylethyl)pentane-2,4-dione","3-isopropylpentane-2,4-dione",CC(C)C(C(=O)C)C(=O)C,CC(C)C(C(=O)C)C(=O)C,"InChI=1/C8H14O2/c1-5(2)8(6(3)9)7(4)10/h5,8H,1-4H3",C8H14O2,,,,,,BPIHCIRSGQKCLT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.798,216-277-8,1541-67-9,"2,2'-(dodecylimino)bisethanol","2,2'-(dodecylimino)diethanol",CCCCCCCCCCCCN(CCO)CCO,CCCCCCCCCCCCN(CCO)CCO,"InChI=1/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19/h18-19H,2-16H2,1H3",C16H35NO2,,,,,,NKFNBVMJTSYZDV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.801,216-280-4,1544-68-9,4-fluorophenyl isothiocyanate,1-fluoro-4-isothiocyanatobenzene,Fc1ccc(/N=C=S)cc1,Fc1ccc(/N=C=S)cc1,InChI=1/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,C7H4FNS,,,,,,NFIUJHJMCQQYDL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.805,216-285-1,1548-74-9,"4-amino-2,3,5,6-tetrafluorobenzamide","4-amino-2,3,5,6-tetrafluorobenzamide",NC(=O)c1c(F)c(F)c(N)c(F)c1F,NC(=O)c1c(F)c(F)c(N)c(F)c1F,"InChI=1/C7H4F4N2O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H2,13,14)",C7H4F4N2O,,,,,,CAERPAFTLPIDJT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.806,216-286-7,1549-35-5,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregn-4-ene-3,20-dione 21-acetate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregn-4-en-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H33FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h10,13,17-19,28,30H,5-9,11-12H2,1-4H3",C24H33FO6,,,,,,MOWWOWAMHCZEEC-QZIXMDIESA-N,,,,,,,,,,,
100.014.808,216-288-8,1551-27-5,Isopropylthiophene,2-isopropylthiophene,CC(C)c1cccs1,CC(C)c1cccs1,"InChI=1/C7H10S/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3",C7H10S,,,,,,LOXBELRNKUFSRD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.813,216-294-0,1552-46-1,5-methyl-2-[4-[2-(5-methylbenzoxazol-2-yl)vinyl]phenyl]benzoxazole,"5-methyl-2-{2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]vinyl}-1,3-benzoxazole",Cc1ccc2oc(\\C=C\\c3ccc(cc3)c4oc5ccc(C)cc5n4)nc2c1,Cc1ccc2oc(\C=C\c3ccc(cc3)c4oc5ccc(C)cc5n4)nc2c1,"InChI=1/C24H18N2O2/c1-15-3-10-21-19(13-15)25-23(27-21)12-7-17-5-8-18(9-6-17)24-26-20-14-16(2)4-11-22(20)28-24/h3-14H,1-2H3",C24H18N2O2,,,,,,UYEBVQUTQHTYOU-KPKJPENVSA-N,,,,,,,,,,,
100.014.818,216-299-8,1552-96-1,p-(dimethylamino)cinnamic acid,3-[4-(dimethylamino)phenyl]acrylic acid,CN(C)c1ccc(\\C=C\\C(=O)O)cc1,CN(C)c1ccc(\C=C\C(=O)O)cc1,"InChI=1/C11H13NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,1-2H3,(H,13,14)",C11H13NO2,,,,,,CQNPVMCASGWEHM-VMPITWQZSA-N,,,,,,,,,,,
100.014.827,216-309-0,1556-08-7,Chlorocyclooctane,chlorocyclooctane,ClC1CCCCCCC1,ClC1CCCCCCC1,"InChI=1/C8H15Cl/c9-8-6-4-2-1-3-5-7-8/h8H,1-7H2",C8H15Cl,,,,,,LDOZEEFSUYHNPM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.828,216-310-6,1556-09-8,Bromocyclooctane,bromocyclooctane,BrC1CCCCCCC1,BrC1CCCCCCC1,"InChI=1/C8H15Br/c9-8-6-4-2-1-3-5-7-8/h8H,1-7H2",C8H15Br,,,,,,KFKLBMQLKLKHLU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.830,216-312-7,1556-70-3,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl nicotinate",Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)OC(=O)c4cccnc4,Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)OC(=O)c4cccnc4,"InChI=1/C21H13NO8/c23-12-7-15(26)17-16(8-12)29-19(10-3-4-13(24)14(25)6-10)20(18(17)27)30-21(28)11-2-1-5-22-9-11/h1-9,23-26H",C21H13NO8,,,,,,BZIXWQIWHDSDHR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.918,242-827-1,19121-78-9,Dipotassium hexabromoiridate,dipotassium hexabromoiridate(2-),[K+].[K+].Br[Ir-2](Br)(Br)(Br)(Br)Br,[K+].[K+].Br[Ir-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.Ir.2K/h6*1H;;;/q;;;;;;+4;2*+1/p-6/rBr6Ir.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",Br6Ir.2K,,,,,,RSDYABYRTHADQA-UHFFFAOYSA-H,,,,,,,,,,,
100.038.926,242-836-0,19141-82-3,Aluminium hexadecan-1-olate,aluminum trihexadecan-1-olate,[Al+3].[O-]CCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCC,[Al+3].[O-]CCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCC,"InChI=1/3C16H33O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h3*2-16H2,1H3;/q3*-1;+3",C16H34O.1/3Al,,,,,,CMEVTVGFRCKPGC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.933,242-843-9,19149-86-1,Oleyl octanoate,octadec-9-en-1-yl octanoate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CCCCCCC,CCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC,"InChI=1/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h13-14H,3-12,15-25H2,1-2H3",C26H50O2,,,,,,DFHRKKNQGGEVPA-YPKPFQOOSA-N,,,,,,,,,,,
100.017.644,219-408-7,2432-63-5,Dipropyl maleate,dipropyl but-2-enedioate,CCCOC(=O)\\C=C/C(=O)OCCC,CCCOC(=O)\C=C/C(=O)OCCC,"InChI=1/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3",C10H16O4,,,,,,DSTWFRCNXMNXTR-WAYWQWQTSA-N,,,,,,,,,,,
100.017.645,219-409-2,2432-74-8,6-aminohexanonitrile,6-aminohexanenitrile,NCCCCCC#N,NCCCCCC#N,"InChI=1/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2",C6H12N2,,,,,,KBMSFJFLSXLIDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.653,219-418-1,2433-14-9,4-cyclohexylcyclohexanol,"1,1'-bi(cyclohexyl)-4-ol",OC1CCC(CC1)C2CCCCC2,OC1CCC(CC1)C2CCCCC2,"InChI=1/C12H22O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-13H,1-9H2",C12H22O,,,,,,AFKMHDZOVNDWLO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.655,219-420-2,2433-97-8,Methyl tricosanoate,methyl tricosanoate,CCCCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3",C24H48O2,,,,,,VORKGRIRMPBCCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.242,216-765-0,1660-95-3,Tetraisopropyl methylenebisphosphonate,tetraisopropyl methylenebis(phosphonate),CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C,CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C,"InChI=1/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3",C13H30O6P2,,,,,,ODTQUKVFOLFLIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.248,216-771-3,1663-61-2,(triethoxymethyl)benzene,(triethoxymethyl)benzene,CCOC(OCC)(OCC)c1ccccc1,CCOC(OCC)(OCC)c1ccccc1,"InChI=1/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3",C13H20O3,,,,,,BQFPCTXLBRVFJL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.249,216-772-9,1663-67-8,Malonyl dichloride,malonoyl dichloride,ClC(=O)CC(=O)Cl,ClC(=O)CC(=O)Cl,InChI=1/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2,C3H2Cl2O2,,,,,,SXYFKXOFMCIXQW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.379,216-917-6,1698-53-9,"4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one","4,5-dichloro-2-phenylpyridazin-3(2H)-one",ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2,ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2,InChI=1/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H,C10H6Cl2N2O,,,,,,VKWCOHVAHQOJGU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.385,216-923-9,1699-51-0,"(±)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline",COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC,COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3",C21H27NO4,,,,,,KGPAYJZAMGEDIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.387,216-926-5,1699-58-7,"3,4-bis(benzyloxy)benzyl alcohol","[3,4-bis(benzyloxy)phenyl]methanol",OCc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1,OCc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1,"InChI=1/C21H20O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-13,22H,14-16H2",C21H20O3,,,,,,LADVXQNFPXBLDY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.389,216-928-6,1700-02-3,"2,4-dichloro-6-phenyl-1,3,5-triazine","2,4-dichloro-6-phenyl-1,3,5-triazine",Clc1nc(Cl)nc(n1)c2ccccc2,Clc1nc(Cl)nc(n1)c2ccccc2,InChI=1/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,C9H5Cl2N3,,,,,,AMEVJOWOWQPPJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.392,216-931-2,1700-30-7,4-benzyloxybenzyl alcohol,[4-(benzyloxy)phenyl]methanol,OCc1ccc(OCc2ccccc2)cc1,OCc1ccc(OCc2ccccc2)cc1,"InChI=1/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2",C14H14O2,,,,,,OEBIVOHKFYSBPE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.401,216-941-7,1705-60-8,"2,2-bis(4,4-di-tert-butyldioxycyclohexyl)propane","1,1'-propane-2,2-diylbis[4,4-bis(tert-butylperoxy)cyclohexane]",CC(C)(C)OOC1(CCC(CC1)C(C)(C)C2CCC(CC2)(OOC(C)(C)C)OOC(C)(C)C)OOC(C)(C)C,CC(C)(C)OOC1(CCC(CC1)C(C)(C)C2CCC(CC2)(OOC(C)(C)C)OOC(C)(C)C)OOC(C)(C)C,"InChI=1/C31H60O8/c1-25(2,3)32-36-30(37-33-26(4,5)6)19-15-23(16-20-30)29(13,14)24-17-21-31(22-18-24,38-34-27(7,8)9)39-35-28(10,11)12/h23-24H,15-22H2,1-14H3",C31H60O8,,,,,,ZHKCHSNXUCRFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.402,216-942-2,1705-85-7,6-methylchrysene,6-methylchrysene,Cc1cc2c3ccccc3ccc2c4ccccc14,Cc1cc2c3ccccc3ccc2c4ccccc14,"InChI=1/C19H14/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-12H,1H3",C19H14,,,,,,ASVDRLYVNFOSCI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.405,216-945-9,1706-69-0,2-octylhydroquinone,"2-octylbenzene-1,4-diol",CCCCCCCCc1cc(O)ccc1O,CCCCCCCCc1cc(O)ccc1O,"InChI=1/C14H22O2/c1-2-3-4-5-6-7-8-12-11-13(15)9-10-14(12)16/h9-11,15-16H,2-8H2,1H3",C14H22O2,,,,,,ZZXILYOBAFPJNS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.409,216-950-6,1707-14-8,Phenmetrazine hydrochloride,3-methyl-2-phenylmorpholine hydrochloride,Cl.CC1NCCOC1c2ccccc2,Cl.CC1NCCOC1c2ccccc2,"InChI=1/C11H15NO.ClH/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;/h2-6,9,11-12H,7-8H2,1H3;1H",C11H15NO.ClH,,,,,,VJNXVAVKCZJOFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.410,216-951-1,1707-67-1,"2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole","2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole",Clc1ccccc1c2nc(c3ccccc3)c([nH]2)c4ccccc4,Clc1ccccc1c2nc(c3ccccc3)c([nH]2)c4ccccc4,"InChI=1/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)",C21H15ClN2,,,,,,NSWNXQGJAPQOID-UHFFFAOYSA-N,,,,,,,,,,,
100.026.477,229-125-0,6416-39-3,1-methyl-3-phenylindan,1-methyl-3-phenylindane,CC1CC(c2ccccc2)c3ccccc13,CC1CC(c2ccccc2)c3ccccc13,"InChI=1/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3",C16H16,,,,,,JHIDJKSBZPNVKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.478,229-126-6,6416-51-9,"7-(dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride","7-(dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride",[Cl-].COC(=O)c1cc(O)c(O)c2[o+]c3cc(ccc3nc12)N(C)C,[Cl-].COC(=O)c1cc(O)c(O)c2[o+]c3cc(ccc3nc12)N(C)C,"InChI=1/C16H14N2O5.ClH/c1-18(2)8-4-5-10-12(6-8)23-15-13(17-10)9(16(21)22-3)7-11(19)14(15)20;/h4-7H,1-3H3,(H-,17,19,20,21);1H",C16H15N2O5.Cl,,,,,,PVYJXJHWEZQWLA-UHFFFAOYSA-M,,,,,,,,,,,
100.026.479,229-127-1,6416-57-5,"4-(1-naphthylazo)benzene-1,3-diamine","4-(1-naphthyldiazenyl)benzene-1,3-diamine",Nc3ccc(N=Nc1cccc2ccccc12)c(N)c3,Nc3ccc(N=Nc1cccc2ccccc12)c(N)c3,"InChI=1/C16H14N4/c17-12-8-9-16(14(18)10-12)20-19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,17-18H2",C16H14N4,,,,,,AHWMWMNEYBHQNL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.482,229-130-8,6416-67-7,"Disodium 5-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]-2-(phenylamino)benzenesulphonate","disodium 2-anilino-5-({2,4-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)benzenesulfonate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc4ccc(Nc3ccccc3)c(c4)S([O-])(=O)=O,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc4ccc(Nc3ccccc3)c(c4)S([O-])(=O)=O,"InChI=1/C24H19N5O8S2.2Na/c30-21-13-12-20(24(31)23(21)29-26-16-6-9-18(10-7-16)38(32,33)34)28-27-17-8-11-19(22(14-17)39(35,36)37)25-15-4-2-1-3-5-15;;/h1-14,25,30-31H,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C24H19N5O8S2.2Na,,,,,,KRSCOXHGZVUQFH-UHFFFAOYSA-L,,,,,,,,,,,
100.026.486,229-135-5,6417-31-8,Trisodium 2-[4-[[6-[[[[4-(acetamido)phenyl]amino]carbonyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-sulphonatophenyl]-6-methylbenzothiazole-7-sulphonate,"trisodium 2-{4-[(6-{[(4-acetamidophenyl)carbamoyl]amino}-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3-sulfonatophenyl}-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)NC(=O)Nc5cc6cc(c(N=Nc2ccc(cc2S([O-])(=O)=O)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)c(O)c6cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)NC(=O)Nc5cc6cc(c(N=Nc2ccc(cc2S([O-])(=O)=O)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)c(O)c6cc5)S([O-])(=O)=O,"InChI=1/C33H26N6O12S4.3Na/c1-16-3-11-25-30(31(16)55(49,50)51)52-32(37-25)18-4-12-24(26(14-18)53(43,44)45)38-39-28-27(54(46,47)48)15-19-13-22(9-10-23(19)29(28)41)36-33(42)35-21-7-5-20(6-8-21)34-17(2)40;;;/h3-15,41H,1-2H3,(H,34,40)(H2,35,36,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C33H26N6O12S4.3Na,,,,,,JWFOTJIXWCVMRP-UHFFFAOYSA-K,,,,,,,,,,,
100.026.488,229-137-6,6417-38-5,"N-[5-(benzoylamino)-9,10-dihydro-9,10-dioxoanthryl]-5,8,13,14-tetrahydro-5,8,14-trioxonaphth[2,3-c]acridine-10-carboxamide","N-[5-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-5,8,14-trioxo-5,8,13,14-tetrahydronaphtho[2,3-c]acridine-10-carboxamide",O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccc5Nc6c(ccc7C(=O)c8ccccc8C(=O)c67)C(=O)c5c4)cccc3C(=O)c12)c9ccccc9,O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccc5Nc6c(ccc7C(=O)c8ccccc8C(=O)c67)C(=O)c5c4)cccc3C(=O)c12)c9ccccc9,"InChI=1/C43H23N3O7/c47-37-23-10-4-5-11-24(23)39(49)35-27(37)17-18-28-36(35)44-30-19-16-22(20-29(30)38(28)48)43(53)46-32-15-7-13-26-34(32)41(51)25-12-6-14-31(33(25)40(26)50)45-42(52)21-8-2-1-3-9-21/h1-20H,(H,44,48)(H,45,52)(H,46,53)",C43H23N3O7,,,,,,RBKKSNZUCBLXGH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.490,229-139-7,6417-46-5,"2-methyl-4-[[4-[[4-[(3-tolyl)amino]phenyl][4-[(3-tolylimino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonic acid","2-methyl-4-{[4-({4-[(3-methylphenyl)amino]phenyl}{4-[(3-methylphenyl)imino]cyclohexa-2,5-dien-1-ylidene}methyl)phenyl]amino}benzenesulfonic acid",Cc1cccc(Nc2ccc(cc2)C(=C3C=CC(=Nc4cccc(C)c4)C=C3)c5ccc(Nc6ccc(c(C)c6)S(=O)(=O)O)cc5)c1,Cc1cccc(Nc2ccc(cc2)C(=C3C=CC(=Nc4cccc(C)c4)C=C3)c5ccc(Nc6ccc(c(C)c6)S(=O)(=O)O)cc5)c1,"InChI=1/C40H35N3O3S/c1-27-6-4-8-36(24-27)41-33-16-10-30(11-17-33)40(31-12-18-34(19-13-31)42-37-9-5-7-28(2)25-37)32-14-20-35(21-15-32)43-38-22-23-39(29(3)26-38)47(44,45)46/h4-26,41,43H,1-3H3,(H,44,45,46)",C40H35N3O3S,,,,,,IIXWWFPZFCVALL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.492,229-141-8,6417-51-2,"7,14-diphenyldiindolo[3,2,1-de:3',2',1'-ij][1,5]naphthyridine-6,13-dione","7,14-diphenyldiindolo[3,2,1-de:3',2',1'-ij][1,5]naphthyridine-6,13-dione",O=C1N2C3=C4N(C(=O)C(=C3c5ccccc25)c6ccccc6)c7ccccc7C4=C1c8ccccc8,O=C1N2C3=C4N(C(=O)C(=C3c5ccccc25)c6ccccc6)c7ccccc7C4=C1c8ccccc8,InChI=1/C32H18N2O2/c35-31-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)34-29(27)30-28(22-16-8-10-18-24(22)33(30)31)26(32(34)36)20-13-5-2-6-14-20/h1-18H,C32H18N2O2,,,,,,GUBZLBFYUBKAGY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.125,230-937-2,7377-26-6,Methyl 4-(chlorocarbonyl)benzoate,methyl 4-(chlorocarbonyl)benzoate,COC(=O)c1ccc(cc1)C(=O)Cl,COC(=O)c1ccc(cc1)C(=O)Cl,"InChI=1/C9H7ClO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3",C9H7ClO3,,,,,,CVXXHXPNTZBZEL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.247,216-770-8,1663-47-4,"Methyl (S)-2,5-dioxooxazolidine-4-propionate","methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate",COC(=O)CC[C@@H]1NC(=O)OC1=O,COC(=O)CC[C@@H]1NC(=O)OC1=O,"InChI=1/C7H9NO5/c1-12-5(9)3-2-4-6(10)13-7(11)8-4/h4H,2-3H2,1H3,(H,8,11)",C7H9NO5,,,,,,JRZZMWDRALHNFH-BYPYZUCNSA-N,,,,,,,,,,,
100.015.375,216-912-9,1696-17-9,"N,N-diethylbenzamide","N,N-diethylbenzamide",CCN(CC)C(=O)c1ccccc1,CCN(CC)C(=O)c1ccccc1,"InChI=1/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C11H15NO,,,,,,JLNGEXDJAQASHD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.381,216-919-7,1698-55-1,"4-chloro-1,2-dihydro-1-phenylpyridazine-3,6-dione","4-chloro-1-phenyl-1,2-dihydropyridazine-3,6-dione",ClC1=CC(=O)N(NC1=O)c2ccccc2,ClC1=CC(=O)N(NC1=O)c2ccccc2,"InChI=1/C10H7ClN2O2/c11-8-6-9(14)13(12-10(8)15)7-4-2-1-3-5-7/h1-6H,(H,12,15)",C10H7ClN2O2,,,,,,ODPNBRBOAQEHKP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.382,216-920-2,1698-60-8,Chloridazon,5-amino-4-chloro-2-phenylpyridazin-3(2H)-one,NC1=C(Cl)C(=O)N(N=C1)c2ccccc2,NC1=C(Cl)C(=O)N(N=C1)c2ccccc2,"InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",C10H8ClN3O,,,,,,WYKYKTKDBLFHCY-UHFFFAOYSA-N,Positive/Negative,AU330002|AU330003|AU330004|AU330005;SM840201;EA008801|EA008802|EA008803|EA008804|EA008805|EA008806|EA008807|EA008808|EA008809|EA008810|EA008811|EA008812|EA008813|EA008814;UF401801|UF401802|UF401803|UF401804,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID20|CID40|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,222.0424:224.0395:223.0452|222.0424:224.0395:146.0104|146.011:222.0424:128.9843|146.0105:130.0642:150.0095;222.0428:104.0495:92.0495;104.0495:222.0428:186.0662|222.043:77.0383|222.0431:104.0496:77.0383|222.0431:104.0496:92.0495|222.0428:104.0495:92.0495|92.0496:104.0496:222.0432|92.0495:77.0386:65.0386|222.043:77.0383|222.0431:104.0495|222.0431:104.0495:92.0495|222.043:104.0495:92.0495|92.0495:104.0495:222.0428|92.0495:77.0386:65.0386|104.0495:186.0661:193.0288;222.0427:104.0494:92.0494|92.0494:104.0494:77.0385|222.0426:104.0494:186.0662|104.0493:186.066:205.0162,Athens_Univ;CASMI_2016;Eawag;UFZ,SM840252;EA008851|EA008852|EA008853|EA008854|EA008855|EA008856|EA008857|EA008858|EA008859|EA008860|EA008861|EA008862|EA008863|EA008864;UF401851|UF401852,[M-H]-;[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80,220.0284:193.987;220.0284:73.9803:100.9912|220.0286|220.0285:73.9803:65.0145|220.0284:74.9643:150.0119|74.9643:117.046:150.0116|74.9643:117.046:73.9804|74.9643:117.0459:65.9984|220.0285|220.0286:73.9803:150.012|220.0283:74.9643:150.0116|74.9643:117.0457:150.0116|74.9642:117.0457:73.9803|74.9643:117.0459:73.9802|73.9802:184.0516:150.0114;220.0283|220.0288,CASMI_2016;Eawag;UFZ
100.015.384,216-922-3,1699-03-2,2-[(phenylthio)methyl]benzoic acid,2-[(phenylsulfanyl)methyl]benzoic acid,OC(=O)c1ccccc1CSc2ccccc2,OC(=O)c1ccccc1CSc2ccccc2,"InChI=1/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)",C14H12O2S,,,,,,QXPRAGVOCILNHG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.391,216-930-7,1700-12-5,Bis(2-hydroxyethyl) adipate,bis(2-hydroxyethyl) adipate,OCCOC(=O)CCCCC(=O)OCCO,OCCOC(=O)CCCCC(=O)OCCO,"InChI=1/C10H18O6/c11-5-7-15-9(13)3-1-2-4-10(14)16-8-6-12/h11-12H,1-8H2",C10H18O6,,,,,,RCZKTFHQZNLYAR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.395,216-934-9,1701-93-5,Silver thiocyanate,silver(1+) thiocyanate,[Ag+].[S-]C#N,[Ag+].[S-]C#N,InChI=1/CHNS.Ag/c2-1-3;/h3H;/q;+1/p-1,CHNS.Ag,,,,,,RHUVFRWZKMEWNS-UHFFFAOYSA-M,,,,,,,,,,,
100.015.396,216-935-4,1702-17-6,"3,6-dichloropyridine-2-carboxylic acid","3,6-dichloropyridine-2-carboxylic acid",OC(=O)c1nc(Cl)ccc1Cl,OC(=O)c1nc(Cl)ccc1Cl,"InChI=1/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)",C6H3Cl2NO2,,,,,,HUBANNPOLNYSAD-UHFFFAOYSA-N,Positive/Negative,SM845102,[M+H]+,HCD35,191.9613:163.9663:145.9558,CASMI_2016,SM845151,[M-H]-,HCD35,145.957:189.9467,CASMI_2016
100.015.399,216-939-6,1703-90-8,"4'-tert-butyl-2',6'-dimethylbutyrophenone","1-(4-tert-butyl-2,6-dimethylphenyl)butan-1-one",CCCC(=O)c1c(C)cc(cc1C)C(C)(C)C,CCCC(=O)c1c(C)cc(cc1C)C(C)(C)C,"InChI=1/C16H24O/c1-7-8-14(17)15-11(2)9-13(10-12(15)3)16(4,5)6/h9-10H,7-8H2,1-6H3",C16H24O,,,,,,AXVCLVJCZWBTJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.403,216-943-8,1706-11-2,"2,5-dimethylanisole","2,5-dimethylphenyl methyl ether",COc1cc(C)ccc1C,COc1cc(C)ccc1C,"InChI=1/C9H12O/c1-7-4-5-8(2)9(6-7)10-3/h4-6H,1-3H3",C9H12O,,,,,,SJZAUIVYZWPNAS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.406,216-946-4,1706-70-3,2-octadecylhydroquinone,"2-octadecylbenzene-1,4-diol",CCCCCCCCCCCCCCCCCCc1cc(O)ccc1O,CCCCCCCCCCCCCCCCCCc1cc(O)ccc1O,"InChI=1/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-23(25)19-20-24(22)26/h19-21,25-26H,2-18H2,1H3",C24H42O2,,,,,,GDOYYIKTCYJSRI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.408,216-949-0,1707-08-0,2-phenylvinylphosphonic acid,(2-phenylvinyl)phosphonic acid,OP(=O)(O)\\C=C\\c1ccccc1,OP(=O)(O)\C=C\c1ccccc1,"InChI=1/C8H9O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,9,10,11)",C8H9O3P,,,,,,PGKQTZHDCHKDQK-VOTSOKGWSA-N,,,,,,,,,,,
100.039.281,243-225-1,19686-73-8,1-bromopropan-2-ol,1-bromopropan-2-ol,CC(O)CBr,CC(O)CBr,"InChI=1/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3",C3H7BrO,,,,,,WEGOLYBUWCMMMY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.282,243-226-7,19689-19-1,Dec-5-ene,dec-5-ene,CCCCC=CCCCC,CCCCC=CCCCC,"InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h9-10H,3-8H2,1-2H3",C10H20,,,,,,UURSXESKOOOTOV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.286,243-230-9,19694-06-5,"4-hydroxy-3-[[2-methoxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid","4-hydroxy-3-[(2-methoxy-5-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonic acid",COc3ccc(cc3N=Nc2c(cc1cc(ccc1c2O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,COc3ccc(cc3N=Nc2c(cc1cc(ccc1c2O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,"InChI=1/C19H18N2O14S4/c1-34-16-5-3-12(36(23,24)7-6-35-39(31,32)33)10-15(16)20-21-18-17(38(28,29)30)9-11-8-13(37(25,26)27)2-4-14(11)19(18)22/h2-5,8-10,22H,6-7H2,1H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)",C19H18N2O14S4,,,,,,RHFVYRXTYMIXOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.287,243-231-4,19694-10-1,3-amino-4-chlorobenzamide,3-amino-4-chlorobenzamide,NC(=O)c1ccc(Cl)c(N)c1,NC(=O)c1ccc(Cl)c(N)c1,"InChI=1/C7H7ClN2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H2,10,11)",C7H7ClN2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10384,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.287,QHMDKGRWJVOUFU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.290,243-235-6,19696-94-7,"Nitric acid, magnesium samarium(3+) salt",-,[Mg+2].[Sm+3].[O-][N+](=O)[O-],[Mg+2].[Sm+3].[O-][N+](=O)[O-],InChI=1/Mg.NO3.Sm/c;2-1(3)4;/q+2;-1;+3,HNO3.xMg.xSm,,,,,,LLIYOLMQQZNGSE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.291,243-236-1,19696-95-8,"Nitric acid, magnesium neodymium salt",-,[Mg+2].[Nd+3].[O-][N+](=O)[O-],[Mg+2].[Nd+3].[O-][N+](=O)[O-],InChI=1/Mg.NO3.Nd/c;2-1(3)4;/q+2;-1;+3,HNO3.xMg.xNd,,,,,,BSMQUHIMQNRMCR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.940,242-851-2,19162-00-6,"1,5-dimethylhex-4-enyl acetate","1,5-dimethylhex-4-en-1-yl acetate",CC(CCC=C(C)C)OC(=O)C,CC(CCC=C(C)C)OC(=O)C,"InChI=1/C10H18O2/c1-8(2)6-5-7-9(3)12-10(4)11/h6,9H,5,7H2,1-4H3",C10H18O2,,,,,,ZAKWGQOSOHQPJA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.942,242-853-3,19163-98-5,"2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatopropyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium","3-{5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-2,3-dihydro-1H-benzimidazol-1-yl}propane-1-sulfonate",[O-]S(=O)(=O)CCCN3c4cc(Cl)c(Cl)cc4N(CC)C3=CC=Cc2oc1ccccc1[n+]2CC,[O-]S(=O)(=O)CCCN3c4cc(Cl)c(Cl)cc4N(CC)C3=CC=Cc2oc1ccccc1[n+]2CC,"InChI=1/C24H25Cl2N3O4S/c1-3-27-20-15-17(25)18(26)16-21(20)29(13-8-14-34(30,31)32)23(27)11-7-12-24-28(4-2)19-9-5-6-10-22(19)33-24/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3",C24H25Cl2N3O4S,,,,,,IMDXVKVCQNKAQT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.943,242-854-9,19168-23-1,Diammonium hexachloropalladate,diammonium hexachloropalladate(2-),[NH4+].[NH4+].Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2H3N.Pd/h6*1H;2*1H3;/q;;;;;;;;+4/p-4/rCl6Pd.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",Cl6Pd.2H4N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19003,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.943,LOLIPEAFAJNGJM-UHFFFAOYSA-J,,,,,,,,,,,
100.038.946,242-858-0,19179-31-8,"3,5-dimethoxybenzonitrile","3,5-dimethoxybenzonitrile",COc1cc(OC)cc(c1)C#N,COc1cc(OC)cc(c1)C#N,"InChI=1/C9H9NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,1-2H3",C9H9NO2,,,,,,NVTHWSJNXVDIKR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.948,242-860-1,19179-44-3,Copper dilaurate,copper(2+) didodecanoate,[Cu+2].[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC,[Cu+2].[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Cu,,,,,,JDPSPYBMORZJOD-UHFFFAOYSA-L,,,,,,,,,,,
100.038.953,242-865-9,19192-71-3,Cobalt dioleate,cobalt(2+) dioctadec-9-enoate,[Co+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Co+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Co,,,,,,LHEFLUZWISWYSQ-CVBJKYQLSA-L,,,,,,,,,,,
100.038.956,242-869-0,19197-14-9,"5-amino-2,4-dihydro-4-(phenylazo)-3H-pyrazol-3-one","5-amino-4-(phenyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one",O=C2N\\N=C(\\N)C2N=Nc1ccccc1,O=C2N\N=C(\N)C2N=Nc1ccccc1,"InChI=1/C9H9N5O/c10-8-7(9(15)14-13-8)12-11-6-4-2-1-3-5-6/h1-5,7H,(H2,10,13)(H,14,15)",C9H9N5O,,,,,,KARWINWPVZJLQK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.957,242-870-6,19198-58-4,"Methylammonium 2-(2,4-dichlorophenoxy)propionate","methanaminium 2-(2,4-dichlorophenoxy)propanoate",C[NH3+].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],C[NH3+].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H8Cl2O3.CH5N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;1-2/h2-5H,1H3,(H,12,13);2H2,1H3",C9H8Cl2O3.CH5N,,,,,,VIPXPUFBKZYEPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.960,242-873-2,19201-24-2,Sodium acetyl sulphate,sodium acetyl sulphate,[Na+].CC(=O)OS(=O)(=O)[O-],[Na+].CC(=O)OS(=O)(=O)[O-],"InChI=1/C2H4O5S.Na/c1-2(3)7-8(4,5)6;/h1H3,(H,4,5,6);/q;+1/p-1",C2H4O5S.Na,,,,,,VCLVUNFJTOOMIR-UHFFFAOYSA-M,,,,,,,,,,,
100.038.961,242-874-8,19201-36-6,[2-[(1-oxoallyl)oxy]ethyl] hydrogen maleate,4-[2-(acryloyloxy)ethoxy]-4-oxobut-2-enoic acid,OC(=O)\\C=C/C(=O)OCCOC(=O)C=C,OC(=O)\C=C/C(=O)OCCOC(=O)C=C,"InChI=1/C9H10O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2-4H,1,5-6H2,(H,10,11)",C9H10O6,,,,,,ROZDMUUELHCVQC-ARJAWSKDSA-N,,,,,,,,,,,
100.042.932,247-240-4,25749-86-4,"2-(heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine","2-(2-heptadec-16-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",NCCN1CCN=C1CCCCCCCCCCCCCCCC=C,NCCN1CCN=C1CCCCCCCCCCCCCCCC=C,"InChI=1/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h2H,1,3-21,23H2",C22H43N3,,,,,,BCFGKJJLWWPZAT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.948,247-258-2,25779-05-9,"Tetrasodium naphthalene-1,3,5,7-tetrasulphonate","tetrasodium naphthalene-1,3,5,7-tetrasulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(c2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(c2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O12S4.4Na/c11-23(12,13)5-1-7-8(10(3-5)26(20,21)22)2-6(24(14,15)16)4-9(7)25(17,18)19;;;;/h1-4H,(H,11,12,13)(H,14,15,16)(H,17,18,19)(H,20,21,22);;;;/q;4*+1/p-4",C10H8O12S4.4Na,,,,,,LLRBXZUIOCTLSN-UHFFFAOYSA-J,,,,,,,,,,,
100.042.954,247-265-0,25790-35-6,"1-(2-furyl)butane-1,3-dione","1-(2-furyl)butane-1,3-dione",CC(=O)CC(=O)c1occc1,CC(=O)CC(=O)c1occc1,"InChI=1/C8H8O3/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4H,5H2,1H3",C8H8O3,,,,,,GPYKJDYMMUIUFG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.283,243-227-2,19690-59-6,4-chloro-2-tolylhydrazine hydrochloride,(4-chloro-2-methylphenyl)hydrazine hydrochloride,Cl.Cc1cc(Cl)ccc1NN,Cl.Cc1cc(Cl)ccc1NN,"InChI=1/C7H9ClN2.ClH/c1-5-4-6(8)2-3-7(5)10-9;/h2-4,10H,9H2,1H3;1H",C7H9ClN2.ClH,,,,,,VBVZXWFQHFXJJK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.284,243-228-8,19692-45-6,p-(tert-butyl)-alpha-chlorotoluene,1-tert-butyl-4-(chloromethyl)benzene,CC(C)(C)c1ccc(CCl)cc1,CC(C)(C)c1ccc(CCl)cc1,"InChI=1/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3",C11H15Cl,,,,,,WAXIFMGAKWIFDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.288,243-233-5,19694-12-3,"2,2'-dimethyl-2,2'-azobutane","bis(1,1-dimethylpropyl)diazene",CCC(C)(C)N=NC(C)(C)CC,CCC(C)(C)N=NC(C)(C)CC,"InChI=1/C10H22N2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3",C10H22N2,,,,,,ZGXHUGQEDPPKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.293,243-238-2,19698-29-4,"2,3-bis(palmitoyloxy)propyl dihydrogen phosphate","3-(phosphonooxy)propane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)",C35H69O8P,,,,,,PORPENFLTBBHSG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.296,243-241-9,19704-83-7,Calcium dilinoleate,"calcium dioctadeca-9,12-dienoate",[Ca+2].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Ca+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.1/2Ca,,,,,,ROZZMLUWBPPEMU-GRVYQHKQSA-L,,,,,,,,,,,
100.039.298,243-244-5,19708-68-0,"Tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one","1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one",OCN1CNCN(CO)C1=O,OCN1CNCN(CO)C1=O,"InChI=1/C5H11N3O3/c9-3-7-1-6-2-8(4-10)5(7)11/h6,9-10H,1-4H2",C5H11N3O3,,,,,,PEFFWBKKAGDQJR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.300,243-246-6,19715-19-6,"3,5-bis-tert-butylsalicylic acid","3,5-di-tert-butyl-2-hydroxybenzoic acid",CC(C)(C)c1cc(C(=O)O)c(O)c(c1)C(C)(C)C,CC(C)(C)c1cc(C(=O)O)c(O)c(c1)C(C)(C)C,"InChI=1/C15H22O3/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)",C15H22O3,,,,,,ZWQBZEFLFSFEOS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.305,243-251-3,19721-24-5,"1,4,5-triamino-2,3-dichloro-8-hydroxyanthraquinone","1,4,5-triamino-2,3-dichloro-8-hydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)c(Cl)c(Cl)c(N)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(N)c(Cl)c(Cl)c(N)c3C(=O)c12,"InChI=1/C14H9Cl2N3O3/c15-9-10(16)12(19)8-7(11(9)18)13(21)5-3(17)1-2-4(20)6(5)14(8)22/h1-2,20H,17-19H2",C14H9Cl2N3O3,,,,,,PRRRMBDHOGEKOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.308,243-255-5,19727-16-3,"2-ethyl-2-(hydroxymethyl)-1,3-propanediyl bismethacrylate",2-(hydroxymethyl)-2-[(methacryloyloxy)methyl]butyl methacrylate (non-preferred name),CCC(CO)(COC(=O)C(=C)C)COC(=O)C(=C)C,CCC(CO)(COC(=O)C(=C)C)COC(=O)C(=C)C,"InChI=1/C14H22O5/c1-6-14(7-15,8-18-12(16)10(2)3)9-19-13(17)11(4)5/h15H,2,4,6-9H2,1,3,5H3",C14H22O5,,,,,,GCNKJQRMNYNDBI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.316,243-263-9,19740-72-8,Diisopropyl bicarbamate,"diisopropyl hydrazine-1,2-dicarboxylate",CC(C)OC(=O)NNC(=O)OC(C)C,CC(C)OC(=O)NNC(=O)OC(C)C,"InChI=1/C8H16N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)",C8H16N2O4,,,,,,FBZULTVJWVCJQV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.320,243-268-6,19748-58-4,"2,5-bis(3-methoxyphenyl)-1,3,4-oxadiazole","2,5-bis(3-methoxyphenyl)-1,3,4-oxadiazole",COc1cccc(c1)c2oc(nn2)c3cccc(OC)c3,COc1cccc(c1)c2oc(nn2)c3cccc(OC)c3,"InChI=1/C16H14N2O3/c1-19-13-7-3-5-11(9-13)15-17-18-16(21-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3",C16H14N2O3,,,,,,VTFRIPCUJGVYKU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.321,243-269-1,19750-95-9,"N'-(4-chloro-o-tolyl)-N,N-dimethylformamidine monohydrochloride","N'-(4-chloro-2-methylphenyl)-N,N-dimethylimidoformamide hydrochloride",Cl.Clc1cc(C)c(N=CN(C)C)cc1,Cl.Clc1cc(C)c(N=CN(C)C)cc1,"InChI=1/C10H13ClN2.ClH/c1-8-6-9(11)4-5-10(8)12-7-13(2)3;/h4-7H,1-3H3;1H",C10H13ClN2.ClH,,,,,,WZFNZVJGDCKNME-UHFFFAOYSA-N,,,,,,,,,,,
100.039.322,243-270-7,19752-55-7,"1-bromo-3,5-dichlorobenzene","1-bromo-3,5-dichlorobenzene",Clc1cc(Cl)cc(Br)c1,Clc1cc(Cl)cc(Br)c1,InChI=1/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H,C6H3BrCl2,,,,,,DZHFFMWJXJBBRG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.327,243-275-4,19759-80-9,"1,2,6-hexanetriyl tris(mercaptoacetate)","hexane-1,2,6-triyl tris(sulfanylacetate)",SCC(=O)OCCCCC(COC(=O)CS)OC(=O)CS,SCC(=O)OCCCCC(COC(=O)CS)OC(=O)CS,"InChI=1/C12H20O6S3/c13-10(6-19)16-4-2-1-3-9(18-12(15)8-21)5-17-11(14)7-20/h9,19-21H,1-8H2",C12H20O6S3,,,,,,STZADTBFGAIACP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.113,221-023-4,2976-75-2,1-naphthyloxyacetic acid,(1-naphthyloxy)acetic acid,OC(=O)COc1cccc2ccccc12,OC(=O)COc1cccc2ccccc12,"InChI=1/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)",C12H10O3,,,,,,GHRYSOFWKRRLMI-UHFFFAOYSA-N,,,,,,,,,,,
100.025.302,227-832-9,5995-34-6,[(tetradecylimino)bis(methylene)]diphosphonic acid,[(tetradecylimino)bis(methylene)]bis(phosphonic acid),CCCCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O,CCCCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C16H37NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23)",C16H37NO6P2,,,,,,ANMMXBKZQYAUII-UHFFFAOYSA-N,,,,,,,,,,,
100.025.303,227-833-4,5995-42-6,[[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonic acid,{[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonic acid),OCCN(CP(=O)(O)O)CP(=O)(O)O,OCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C4H13NO7P2/c6-2-1-5(3-13(7,8)9)4-14(10,11)12/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12)",C4H13NO7P2,,,,,,YAWYUSRBDMEKHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.311,227-842-3,6000-44-8,Sodium glycinate,sodium aminoacetate,[Na+].NCC(=O)[O-],[Na+].NCC(=O)[O-],"InChI=1/C2H5NO2.Na/c3-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1",C2H5NO2.Na,,,,,,WUWHFEHKUQVYLF-UHFFFAOYSA-M,,,,,,,,,,,
100.025.315,227-847-0,6001-97-4,"Sodium 1,4-diisohexyl 2-sulphosuccinate","sodium 1,4-bis[(1-methylpentyl)oxy]-1,4-dioxobutane-2-sulfonate",CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)O[Na],CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)O[Na],"InChI=1/C16H30O7S.Na/c1-5-7-9-12(3)22-15(17)11-14(24(19,20)21)16(18)23-13(4)10-8-6-2;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1/rC16H29NaO7S/c1-5-7-9-12(3)22-15(18)11-14(25(20,21)24-17)16(19)23-13(4)10-8-6-2/h12-14H,5-11H2,1-4H3",C16H30O7S.Na,,,,,,QJDJVBIQBWDFNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.025.317,227-849-1,6003-05-0,L-alanine hydrochloride,L-alanine hydrochloride,Cl.C[C@H](N)C(=O)O,Cl.C[C@H](N)C(=O)O,"InChI=1/C3H7NO2.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H",C3H7NO2.ClH,,,,,,ILYVXUGGBVATGA-DKWTVANSSA-N,,,,,,,,,,,
100.025.318,227-850-7,6004-36-0,"Octahydro-2,6-methano-2H-indeno[5,6-b]oxirene","octahydro-1aH-2,6-methanoindeno[5,6-b]oxirene",C1CC2C(C1)C3CC2C4OC34,C1CC2C(C1)C3CC2C4OC34,"InChI=1/C10H14O/c1-2-5-6(3-1)8-4-7(5)9-10(8)11-9/h5-10H,1-4H2",C10H14O,,,,,,FAADLYHIBACBRX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.319,227-851-2,6004-38-2,"Tricyclo[5.2.1.02,6]decane","octahydro-1H-4,7-methanoindene",C1CC2C3CCC(C3)C2C1,C1CC2C3CCC(C3)C2C1,"InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2",C10H16,,,,,,LPSXSORODABQKT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.320,227-852-8,6004-79-1,"Hexahydro-3,6-methanophthalic anhydride","hexahydro-4,7-methano-2-benzofuran-1,3-dione",O=C1OC(=O)C2C3CCC(C3)C12,O=C1OC(=O)C2C3CCC(C3)C12,"InChI=1/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h4-7H,1-3H2",C9H10O3,,,,,,LQOPXMZSGSTGMF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.321,227-853-3,3/09/6006,2-(2-allyl-6-methoxyphenoxy)ethyl(diethyl)amine,"2-(2-allyl-6-methoxyphenoxy)-N,N-diethylethanamine",CCN(CC)CCOc1c(CC=C)cccc1OC,CCN(CC)CCOc1c(CC=C)cccc1OC,"InChI=1/C16H25NO2/c1-5-9-14-10-8-11-15(18-4)16(14)19-13-12-17(6-2)7-3/h5,8,10-11H,1,6-7,9,12-13H2,2-4H3",C16H25NO2,,,,,,BGBFVIKSTCLLDW-UHFFFAOYSA-N,,,,,,,,,,,
100.025.334,227-868-5,6013-78-1,Chloroethoxyethylaluminium,chloro(ethanolato)ethylaluminum,CCO[Al](Cl)CC,CCO[Al](Cl)CC,"InChI=1/C2H5O.C2H5.Al.ClH/c1-2-3;1-2;;/h2H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1/rC4H10AlClO/c1-3-5(6)7-4-2/h3-4H2,1-2H3",C4H10AlClO,,,,,,CQZHWSXKEPTCNM-UHFFFAOYSA-M,,,,,,,,,,,
100.025.335,227-869-0,6014-68-2,4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1),bis(4-morpholin-4-ylbenzenediazonium) tetrachlorozincate(2-),Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(cc1)N2CCOCC2.N#[N+]c3ccc(cc3)N4CCOCC4,Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(cc1)N2CCOCC2.N#[N+]c3ccc(cc3)N4CCOCC4,"InChI=1/2C10H12N3O.4ClH.Zn/c2*11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;;;;;/h2*1-4H,5-8H2;4*1H;/q2*+1;;;;;+2/p-4/r2C10H12N3O.Cl4Zn/c2*11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;1-5(2,3)4/h2*1-4H,5-8H2;/q2*+1;-2",C10H12N3O.1/2Cl4Zn,,,,,,CEBFHRPCULGIPE-UHFFFAOYSA-J,,,,,,,,,,,
100.025.336,227-870-6,6014-75-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C18H9F25O2/c1-5(2)6(44)45-4-3-7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)18(41,42)43/h1,3-4H2,2H3",C18H9F25O2,,,,,,LFEGLDRNIDJMKB-UHFFFAOYSA-N,,,,,,,,,,,
100.025.341,227-875-3,6021-21-2,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide,CN(C(=O)CCl)c1ccc(Cl)cc1C(=O)c2ccccc2,CN(C(=O)CCl)c1ccc(Cl)cc1C(=O)c2ccccc2,"InChI=1/C16H13Cl2NO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3",C16H13Cl2NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18146,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.341,DSAWUUVGNZAARH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.896,227-384-4,2/11/5815,Bis(2-methoxyethyl)hydroxylamine,N-hydroxy-2-methoxy-N-(2-methoxyethyl)ethanamine,COCCN(O)CCOC,COCCN(O)CCOC,"InChI=1/C6H15NO3/c1-9-5-3-7(8)4-6-10-2/h8H,3-6H2,1-2H3",C6H15NO3,,,,,,BJOXIRAGBLTXIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.902,227-391-2,2/01/5819,Didodecyl selenide,"1,1'-selanyldidodecane",CCCCCCCCCCCC[Se]CCCCCCCCCCCC,CCCCCCCCCCCC[Se]CCCCCCCCCCCC,"InChI=1/C24H50Se/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50Se,,,,,,KUUNNVBBPBDFJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.292,243-237-7,19696-96-9,"Nitric acid, magnesium praseodymium(3+) salt",-,[Mg+2].[Pr+3].[O-][N+](=O)[O-],[Mg+2].[Pr+3].[O-][N+](=O)[O-],InChI=1/Mg.NO3.Pr/c;2-1(3)4;/q+2;-1;+3,HNO3.xMg.xPr,,,,,,VNBMTTWEWMAOTB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.295,243-240-3,19704-60-0,Dibutylbis[(1-oxohexyl)oxy]stannane,dibutyl[bis(hexanoyloxy)]stannane,CCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCC,CCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCC,"InChI=1/2C6H12O2.2C4H9.Sn/c2*1-2-3-4-5-6(7)8;2*1-3-4-2;/h2*2-5H2,1H3,(H,7,8);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC20H40O4Sn/c1-5-9-13-15-19(21)23-25(17-11-7-3,18-12-8-4)24-20(22)16-14-10-6-2/h5-18H2,1-4H3",C20H40O4Sn,,,,,,RTSDIJDRLOTGRD-UHFFFAOYSA-L,,,,,,,,,,,
100.039.306,243-252-9,19721-37-0,"Thiodi-2,1-ethanediyl diacrylate","sulfanediyldiethane-2,1-diyl bisacrylate",C=CC(=O)OCCSCCOC(=O)C=C,C=CC(=O)OCCSCCOC(=O)C=C,"InChI=1/C10H14O4S/c1-3-9(11)13-5-7-15-8-6-14-10(12)4-2/h3-4H,1-2,5-8H2",C10H14O4S,,,,,,MGBCNPZYUKYBIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.325,243-273-3,19759-40-1,"a,4-dimethylbenzyl acetate",1-(4-methylphenyl)ethyl acetate,CC(OC(=O)C)c1ccc(C)cc1,CC(OC(=O)C)c1ccc(C)cc1,"InChI=1/C11H14O2/c1-8-4-6-11(7-5-8)9(2)13-10(3)12/h4-7,9H,1-3H3",C11H14O2,,,,,,HOKHCDLSYKTSOU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.111,221-021-3,2975-41-9,Indan-2-amine,indan-2-amine,NC1Cc2ccccc2C1,NC1Cc2ccccc2C1,"InChI=1/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2",C9H11N,,,,,,LMHHFZAXSANGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.121,221-032-3,2979-26-2,2-ethoxycyclohexan-1-ol,2-ethoxycyclohexanol,CCOC1CCCCC1O,CCOC1CCCCC1O,"InChI=1/C8H16O2/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3",C8H16O2,,,,,,PKOQGLKMAXRWPD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.625,222-687-8,3572-64-3,3-oxo-2-pentylcyclopentaneacetic acid,(3-oxo-2-pentylcyclopentyl)acetic acid,CCCCCC1C(CC(=O)O)CCC1=O,CCCCCC1C(CC(=O)O)CCC1=O,"InChI=1/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)",C12H20O3,,,,,,PQEYTAGBXNEUQL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.626,222-688-3,3572-74-5,Moxastine,"2-(1,1-diphenylethoxy)-N,N-dimethylethanamine",CN(C)CCOC(C)(c1ccccc1)c2ccccc2,CN(C)CCOC(C)(c1ccccc1)c2ccccc2,"InChI=1/C18H23NO/c1-18(20-15-14-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3",C18H23NO,,,,,,BBIMHFSPNXQFAH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.628,222-690-4,3574-73-0,N-[2-[(2-aminoethyl)amino]ethyl]stearamide,N-{2-[(2-aminoethyl)amino]ethyl}octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN,"InChI=1/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h24H,2-21,23H2,1H3,(H,25,26)",C22H47N3O,,,,,,BAFIQDJKGKANJI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.629,222-692-5,3575-31-3,p-octylbenzoic acid,4-octylbenzoic acid,CCCCCCCCc1ccc(cc1)C(=O)O,CCCCCCCCc1ccc(cc1)C(=O)O,"InChI=1/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)",C15H22O2,,,,,,ZQLDNJKHLQOJGE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.630,222-693-0,3575-32-4,"N,N-dimethylbenzene-1,3-diamine dihydrochloride","N,N-dimethylbenzene-1,3-diamine dihydrochloride",Cl.Cl.CN(C)c1cccc(N)c1,Cl.Cl.CN(C)c1cccc(N)c1,"InChI=1/C8H12N2.2ClH/c1-10(2)8-5-3-4-7(9)6-8;;/h3-6H,9H2,1-2H3;2*1H",C8H12N2.2ClH,,,,,,BZJPIQKDEGXVFG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.631,222-694-6,3576-64-5,Clefamide,"2,2-dichloro-N-(2-hydroxyethyl)-N-[4-(4-nitrophenoxy)benzyl]acetamide",OCCN(Cc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1)C(=O)C(Cl)Cl,OCCN(Cc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1)C(=O)C(Cl)Cl,"InChI=1/C17H16Cl2N2O5/c18-16(19)17(23)20(9-10-22)11-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)21(24)25/h1-8,16,22H,9-11H2",C17H16Cl2N2O5,,,,,,ODCUSWJXZDHLKV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.638,222-701-2,3579-85-9,N-(4-hydroxyphenyl)cinnamamide,N-(4-hydroxyphenyl)-3-phenylacrylamide,Oc1ccc(NC(=O)\\C=C\\c2ccccc2)cc1,Oc1ccc(NC(=O)\C=C\c2ccccc2)cc1,"InChI=1/C15H13NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-11,17H,(H,16,18)",C15H13NO2,,,,,,WSRJZGPYPSPGLJ-IZZDOVSWSA-N,,,,,,,,,,,
100.020.639,222-702-8,3581-87-1,2-methylthiazole,"2-methyl-1,3-thiazole",Cc1nccs1,Cc1nccs1,"InChI=1/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3",C4H5NS,,,,,,VZWOXDYRBDIHMA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.640,222-703-3,3581-91-7,"4,5-dimethylthiazole","4,5-dimethyl-1,3-thiazole",Cc1ncsc1C,Cc1ncsc1C,"InChI=1/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3",C5H7NS,,,,,,UWSONZCNXUSTKW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.643,222-707-5,3582-71-6,"1,5-dichloro-1,1,3,3,5,5-hexamethyltrisiloxane","1,5-dichloro-1,1,3,3,5,5-hexamethyltrisiloxane",C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)Cl,C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)Cl,"InChI=1/C6H18Cl2O2Si3/c1-11(2,7)9-13(5,6)10-12(3,4)8/h1-6H3",C6H18Cl2O2Si3,,,,,,GJIYNWRLGOMDEX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.644,222-708-0,3582-72-7,"1,3-dichloro-1,3-dimethyl-1,3-diphenyldisiloxane","1,3-dichloro-1,3-dimethyl-1,3-diphenyldisiloxane",C[Si](Cl)(O[Si](C)(Cl)c1ccccc1)c2ccccc2,C[Si](Cl)(O[Si](C)(Cl)c1ccccc1)c2ccccc2,"InChI=1/C14H16Cl2OSi2/c1-18(15,13-9-5-3-6-10-13)17-19(2,16)14-11-7-4-8-12-14/h3-12H,1-2H3",C14H16Cl2OSi2,,,,,,AUWRUFAJYVQXSH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.955,247-266-6,25790-73-2,"Disodium 4,4'-bis[[4-chloro-6-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-chloro-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].CN(CCO)c1nc(Cl)nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(Cl)nc(n4)N(C)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,[Na+].[Na+].CN(CCO)c1nc(Cl)nc(Nc2ccc(\C=C\c3ccc(Nc4nc(Cl)nc(n4)N(C)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,"InChI=1/C26H28Cl2N10O8S2.2Na/c1-37(9-11-39)25-33-21(27)31-23(35-25)29-17-7-5-15(19(13-17)47(41,42)43)3-4-16-6-8-18(14-20(16)48(44,45)46)30-24-32-22(28)34-26(36-24)38(2)10-12-40;;/h3-8,13-14,39-40H,9-12H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,29,31,33,35)(H,30,32,34,36);;/q;2*+1/p-2",C26H28Cl2N10O8S2.2Na,,,,,,YHHNDMUNIZMJHF-CZEFNJPISA-L,,,,,,,,,,,
100.042.956,247-267-1,25791-20-2,Tetradecyltriphenylphosphonium bromide,triphenyl(tetradecyl)phosphonium bromide,[Br-].CCCCCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C32H44P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1",C32H44P.Br,,,,,,FUMBGFNGBMYHGH-UHFFFAOYSA-M,,,,,,,,,,,
100.042.958,247-269-2,25797-81-3,"Sodium 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulphamoyl]-3,4-xylidino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc(c1C)S(=O)(=O)NCCO,Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc(c1C)S(=O)(=O)NCCO,"InChI=1/C24H23N3O8S2.Na/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30;/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35);/q;+1/p-1/rC24H22N3NaO8S2/c1-12-9-14(10-18(13(12)2)37(32,33)26-7-8-29)27-17-11-19(38(34,35)36-28)22(25)21-20(17)23(30)15-5-3-4-6-16(15)24(21)31/h3-6,9-11,26-27,29H,7-8,25H2,1-2H3",C24H23N3O8S2.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10280,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.958,MHHGZCMFNNAVCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.964,247-276-0,25807-84-5,"Sodium 3-[(1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)amino]benzenesulphonate","sodium 3-[(4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amino]benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cccc(NC2=NC(=O)NC(=O)N2)c1,[Na+].[O-]S(=O)(=O)c1cccc(NC2=NC(=O)NC(=O)N2)c1,"InChI=1/C9H8N4O5S.Na/c14-8-11-7(12-9(15)13-8)10-5-2-1-3-6(4-5)19(16,17)18;/h1-4H,(H,16,17,18)(H3,10,11,12,13,14,15);/q;+1/p-1",C9H8N4O5S.Na,,,,,,DXLCIPHFNVADAF-UHFFFAOYSA-M,,,,,,,,,,,
100.020.785,222-862-9,3637-63-6,Cyclooctanemethanol,cyclooctylmethanol,OCC1CCCCCCC1,OCC1CCCCCCC1,"InChI=1/C9H18O/c10-8-9-6-4-2-1-3-5-7-9/h9-10H,1-8H2",C9H18O,,,,,,ZHPBLHYKDKSZCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.800,222-879-1,3646-68-2,2-amino-2-deoxy-D-gluconic acid,"3,4,5,6-tetrahydroxy-D-norleucine",N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O,N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O,"InChI=1/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)",C6H13NO6,,,,,,UFYKDFXCZBTLOO-TXICZTDVSA-N,,,,,,,,,,,
100.020.803,222-882-8,3647-71-0,N-benzylphenethylamine,N-benzyl-2-phenylethanamine,C(Cc1ccccc1)NCc2ccccc2,C(Cc1ccccc1)NCc2ccccc2,"InChI=1/C15H17N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2",C15H17N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16726,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.803,UPABQMWFWCMOFV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.804,222-883-3,3648-18-8,Dioctyltin dilaurate,dioctyltin dilaurate,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC,"InChI=1/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC16H34Sn.2C12H24O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-16H2,1-2H3;2*2-11H2,1H3,(H,13,14)/q+2;;/p-2",C40H80O4Sn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13131,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.804,XQBCVRSTVUHIGH-UHFFFAOYSA-L,,,,,,,,,,,
100.020.805,222-884-9,3648-20-2,Diundecyl phthalate,diundecyl phthalate,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,"InChI=1/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3",C30H50O4,,,,,,QQVHEQUEHCEAKS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.806,222-885-4,3648-21-3,Diheptyl phthalate,diheptyl phthalate,CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC,CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC,"InChI=1/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3",C22H34O4,,,,,,JQCXWCOOWVGKMT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.808,222-888-0,3650-46-2,2-(4-isopropylcyclohexyl)ethanol,2-(4-isopropylcyclohexyl)ethanol,CC(C)C1CCC(CCO)CC1,CC(C)C1CCC(CCO)CC1,"InChI=1/C11H22O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9-12H,3-8H2,1-2H3",C11H22O,,,,,,FTTYJFVOMWMPJO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.814,222-894-3,3652-91-3,2-methyl-9H-carbazole,2-methyl-9H-carbazole,Cc1ccc2c(c1)[nH]c3ccccc23,Cc1ccc2c(c1)[nH]c3ccccc23,"InChI=1/C13H11N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8,14H,1H3",C13H11N,,,,,,PWJYOTPKLOICJK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.821,222-903-0,6/07/3657,Butyl trichloroacetate,butyl trichloroacetate,CCCCOC(=O)C(Cl)(Cl)Cl,CCCCOC(=O)C(Cl)(Cl)Cl,"InChI=1/C6H9Cl3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3",C6H9Cl3O2,,,,,,SECVZLDDYUWJAC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.822,222-904-6,3658-48-8,Bis(2-ethylhexyl) phosphonate,bis(2-ethylhexyl) phosphonate,CCCCC(CC)COP(=O)OCC(CC)CCCC,CCCCC(CC)COP(=O)OCC(CC)CCCC,"InChI=1/C16H35O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16,20H,5-14H2,1-4H3",C16H35O3P,,,,,,HZIUHEQKVCPTAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.634,222-697-2,3577-63-7,5-sulphoanthranilic acid,2-amino-5-sulfobenzoic acid,Nc1ccc(cc1C(=O)O)S(=O)(=O)O,Nc1ccc(cc1C(=O)O)S(=O)(=O)O,"InChI=1/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)",C7H7NO5S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12461,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.634,MJNYPLCGWXFYPD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.645,222-709-6,3583-00-4,"4-isopropyl-5,5-dimethyl-1,3-dioxane","4-isopropyl-5,5-dimethyl-1,3-dioxane",CC(C)C1OCOCC1(C)C,CC(C)C1OCOCC1(C)C,"InChI=1/C9H18O2/c1-7(2)8-9(3,4)5-10-6-11-8/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,KBYHWUXTLMRZHL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.651,222-715-9,7/12/3586,3-phenoxyaniline,3-phenoxyaniline,Nc1cccc(Oc2ccccc2)c1,Nc1cccc(Oc2ccccc2)c1,"InChI=1/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2",C12H11NO,,,,,,UCSYVYFGMFODMY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.655,222-720-6,3586-55-8,(ethylenedioxy)dimethanol,"[ethane-1,2-diylbis(oxy)]dimethanol",OCOCCOCO,OCOCCOCO,"InChI=1/C4H10O4/c5-3-7-1-2-8-4-6/h5-6H,1-4H2",C4H10O4,,,,,,BXGYYDRIMBPOMN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.657,219-422-3,2434-53-9,6-amino-1-methyluracil,"6-amino-1-methylpyrimidine-2,4(1H,3H)-dione",CN1C(=O)NC(=O)C=C1N,CN1C(=O)NC(=O)C=C1N,"InChI=1/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)",C5H7N3O2,,,,,,GZLZRPNUDBIQBM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.663,219-429-1,2435-85-0,Hexadecahydropyrene,hexadecahydropyrene,C1CC2CCC3CCCC4CCC(C1)C2C34,C1CC2CCC3CCCC4CCC(C1)C2C34,"InChI=1/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2",C16H26,,,,,,BYBPEZLZCGOWIS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.666,219-432-8,2436-85-3,Dimethyl(2-naphthyl)amine,"N,N-dimethylnaphthalen-2-amine",CN(C)c1ccc2ccccc2c1,CN(C)c1ccc2ccccc2c1,"InChI=1/C12H13N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3",C12H13N,,,,,,IKZPRXHVTFNIEK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.672,219-439-6,2437-23-2,Ammonium laurate,ammonium laurate,[NH4+].CCCCCCCCCCCC(=O)[O-],[NH4+].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);1H3",C12H24O2.H3N,,,,,,VJCJAQSLASCYAW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.676,219-443-8,2437-56-1,Tridec-1-ene,tridec-1-ene,CCCCCCCCCCCC=C,CCCCCCCCCCCC=C,"InChI=1/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3",C13H26,,,,,,VQOXUMQBYILCKR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.679,219-446-4,2437-97-0,"4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene","4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene",CC1=CCC2CC1OC2(C)C,CC1=CCC2CC1OC2(C)C,"InChI=1/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16O,,,,,,SKBXVAOMEVOTGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.681,219-449-0,2438-20-2,2-methylbutyl propionate,2-methylbutyl propionate,CCC(C)COC(=O)CC,CCC(C)COC(=O)CC,"InChI=1/C8H16O2/c1-4-7(3)6-10-8(9)5-2/h7H,4-6H2,1-3H3",C8H16O2,,,,,,MVJLYXCJBPXRCY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.685,219-453-2,2438-90-6,"N,N'-dimethylthioperoxydicarbamic acid",dioxybis[(methylsulfanyl)carbamic acid],CSN(OON(SC)C(=O)O)C(=O)O,CSN(OON(SC)C(=O)O)C(=O)O,"InChI=1/C4H8N2O6S2/c1-13-5(3(7)8)11-12-6(14-2)4(9)10/h1-2H3,(H,7,8)(H,9,10)",C4H8N2S4,,,,,,ZMUQYLOFLXTXCO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.686,219-454-8,2439-00-1,"Sodium 2,3,6-trichlorophenylacetate","sodium (2,3,6-trichlorophenyl)acetate",[Na+].[O-]C(=O)Cc1c(Cl)ccc(Cl)c1Cl,[Na+].[O-]C(=O)Cc1c(Cl)ccc(Cl)c1Cl,"InChI=1/C8H5Cl3O2.Na/c9-5-1-2-6(10)8(11)4(5)3-7(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1",C8H5Cl3O2.Na,,,,,,YPWJVPXHSDMPQB-UHFFFAOYSA-M,,,,,,,,,,,
100.017.689,219-457-4,8/07/2439,"Salicylic acid, compound with quinolin-8-ol (1:1)",2-hydroxybenzoic acid - quinolin-8-ol (1:1),OC(=O)c1ccccc1O.Oc2cccc3cccnc23,OC(=O)c1ccccc1O.Oc2cccc3cccnc23,"InChI=1/C9H7NO.C7H6O3/c11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-4-2-1-3-5(6)7(9)10/h1-6,11H;1-4,8H,(H,9,10)",C9H7NO.C7H6O3,,,,,,GOEKBPHGLUYFOX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.692,219-461-6,2439-44-3,3-methyl-2-phenylbutyraldehyde,3-methyl-2-phenylbutanal,CC(C)C(C=O)c1ccccc1,CC(C)C(C=O)c1ccccc1,"InChI=1/C11H14O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-9,11H,1-2H3",C11H14O,,,,,,UKEXEDXJYSMZGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.696,219-465-8,2439-77-2,o-anisamide,2-methoxybenzamide,COc1ccccc1C(=O)N,COc1ccccc1C(=O)N,"InChI=1/C8H9NO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)",C8H9NO2,,,,,,MNWSGMTUGXNYHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.697,219-466-3,2439-83-0,1-bromohexahydro-2H-azepin-2-one,1-bromoazepan-2-one,BrN1CCCCCC1=O,BrN1CCCCCC1=O,InChI=1/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2,C6H10BrNO,,,,,,GJNCXCPHNRATIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.699,219-468-4,2439-99-8,Glyphosine,"N,N-bis(phosphonomethyl)glycine",OC(=O)CN(CP(=O)(O)O)CP(=O)(O)O,OC(=O)CN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)",C4H11NO8P2,,,,,,OXHDYFKENBXUEM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.704,219-474-7,6/10/2442,Oct-1-en-3-yl acetate,1-vinylhexyl acetate,CCCCCC(OC(=O)C)C=C,CCCCCC(OC(=O)C)C=C,"InChI=1/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3",C10H18O2,,,,,,DOJDQRFOTHOBEK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.913,227-404-1,5827-80-5,3-ethylpentane-3-thiol,3-ethylpentane-3-thiol,CCC(S)(CC)CC,CCC(S)(CC)CC,"InChI=1/C7H16S/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3",C7H16S,,,,,,RZMDDQFQBIBLDF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.919,227-410-4,5831-80-1,"N,N-dibutyloleamide","N,N-dibutyloctadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCCC)CCCC,CCCCCCCC\C=C/CCCCCCCC(=O)N(CCCC)CCCC,"InChI=1/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3",C26H51NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5664,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.919,YMGHPIVBMBXPCR-NXVVXOECSA-N,,,,,,,,,,,
100.024.920,227-412-5,9/01/5832,Methyl 5-nitro-2-thenoate,methyl 5-nitrothiophene-2-carboxylate,COC(=O)c1ccc(s1)[N+](=O)[O-],COC(=O)c1ccc(s1)[N+](=O)[O-],"InChI=1/C6H5NO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3",C6H5NO4S,,,,,,ROZWUNOYMSUTKS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.921,227-413-0,5832-54-2,2-methylenequinuclidin-3-one hydrochloride,2-methylenequinuclidin-3-one hydrochloride,Cl.C=C1N2CCC(CC2)C1=O,Cl.C=C1N2CCC(CC2)C1=O,"InChI=1/C8H11NO.ClH/c1-6-8(10)7-2-4-9(6)5-3-7;/h7H,1-5H2;1H",C8H11NO.ClH,,,,,,AGFGFBLVWBFYCR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.932,227-425-6,5837-78-5,Ethyl 2-methylcrotonate,ethyl 2-methylbut-2-enoate,CCOC(=O)\\C(=C\\C)\\C,CCOC(=O)\C(=C\C)\C,"InChI=1/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3",C7H12O2,,,,,,OAPHLAAOJMTMLY-GQCTYLIASA-N,,,,,,,,,,,
100.028.516,231-367-7,7510-28-3,1-(chloromethyl)-2-(phenylmethyl)benzene,1-benzyl-2-(chloromethyl)benzene,ClCc1ccccc1Cc2ccccc2,ClCc1ccccc1Cc2ccccc2,"InChI=1/C14H13Cl/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2",C14H13Cl,,,,,,LPCDKGCUDQLTIX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.519,231-370-3,7515-80-2,N-isopropyl-tert-butylamine,N-isopropyl-2-methylpropan-2-amine,CC(C)NC(C)(C)C,CC(C)NC(C)(C)C,"InChI=1/C7H17N/c1-6(2)8-7(3,4)5/h6,8H,1-5H3",C7H17N,,,,,,ZWXQPERWRDHCMZ-UHFFFAOYSA-N,Positive,EQ363101|EQ363102|EQ363103|EQ363104|EQ363105|EQ363106|EQ363107|EQ363108|EQ363109,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,60.0808:57.0699:116.1433|60.0808:57.0699:116.1434|60.0808:57.0699:116.1434|60.0808:57.0699:116.1434|57.0699:60.0808:53.0023|57.0699:60.0808:53.0022|57.0699:60.0808:53.0022|57.0699:53.0022:53.9975|53.0022:57.0698:58.0651,Eawag,,,,,
100.028.520,231-371-9,7516-60-1,4-(chlorosulphonyl)benzoyl chloride,4-(chlorosulfonyl)benzoyl chloride,ClC(=O)c1ccc(cc1)S(=O)(=O)Cl,ClC(=O)c1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C7H4Cl2O3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H",C7H4Cl2O3S,,,,,,JYJUMAFOXPQPAU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.522,231-374-5,4/02/7517,Diisopropyl(propan-2-olato)aluminium,diisobutyl(propan-2-olato)aluminum,CC(C)C[Al](CC(C)C)OC(C)C,CC(C)C[Al](CC(C)C)OC(C)C,"InChI=1/2C4H9.C3H7O.Al/c2*1-4(2)3;1-3(2)4;/h2*4H,1H2,2-3H3;3H,1-2H3;/q;;-1;+1/rC11H25AlO/c1-9(2)7-12(8-10(3)4)13-11(5)6/h9-11H,7-8H2,1-6H3",C11H25AlO,,,,,,YFNGCPVGPCKWAL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.525,231-377-1,7518-21-0,1-methyl-1H-indole-3-ethylamine,2-(1-methyl-1H-indol-3-yl)ethanamine,Cn1cc(CCN)c2ccccc12,Cn1cc(CCN)c2ccccc12,"InChI=1/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3",C11H14N2,,,,,,CAAGZPJPCKMFBD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.530,231-382-9,7522-62-5,"Hexamethylbenzene-a1,a4-diol","(2,3,5,6-tetramethyl-1,4-phenylene)dimethanol",Cc1c(C)c(CO)c(C)c(C)c1CO,Cc1c(C)c(CO)c(C)c(C)c1CO,"InChI=1/C12H18O2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h13-14H,5-6H2,1-4H3",C12H18O2,,,,,,KDJOOHBQJRVMIX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.535,231-388-1,7526-26-3,Diphenyl methylphosphonate,diphenyl methylphosphonate,CP(=O)(Oc1ccccc1)Oc2ccccc2,CP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C13H13O3P/c1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3",C13H13O3P,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10306,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.535,HPUPGAFDTWIMBR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.536,231-389-7,7527-91-5,Acrisorcin,"4-hexylbenzene-1,3-diol - acridin-9-amine (1:1)",CCCCCCc1ccc(O)cc1O.Nc2c3ccccc3nc4ccccc24,CCCCCCc1ccc(O)cc1O.Nc2c3ccccc3nc4ccccc24,"InChI=1/C13H10N2.C12H18O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-8H,(H2,14,15);7-9,13-14H,2-6H2,1H3",C13H10N2.C12H18O2,,,,,,YZODJQFXMFEJRM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.539,231-392-3,7529-27-3,"3,3'-[1,2-ethanediylbis(oxy)]dipropene","3,3'-[ethane-1,2-diylbis(oxy)]bis(prop-1-ene)",C=CCOCCOCC=C,C=CCOCCOCC=C,"InChI=1/C8H14O2/c1-3-5-9-7-8-10-6-4-2/h3-4H,1-2,5-8H2",C8H14O2,,,,,,CARNFEUGBMWTON-UHFFFAOYSA-N,,,,,,,,,,,
100.028.552,231-406-8,7536-58-5,4-benzyl hydrogen N-(tert-butoxycarbonyl)-L-aspartate,4-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid (non-preferred name),CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)",C16H21NO6,,,,,,SOHLZANWVLCPHK-LBPRGKRZSA-N,,,,,,,,,,,
100.028.554,231-408-9,7538-44-5,"2,2'-[[3-(triethoxysilyl)propyl]imino]bisethanol","2,2'-{[3-(triethoxysilyl)propyl]imino}diethanol",CCO[Si](CCCN(CCO)CCO)(OCC)OCC,CCO[Si](CCCN(CCO)CCO)(OCC)OCC,"InChI=1/C13H31NO5Si/c1-4-17-20(18-5-2,19-6-3)13-7-8-14(9-11-15)10-12-16/h15-16H,4-13H2,1-3H3",C13H31NO5Si,,,,,,IYAYDWLKTPIEDC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.135,230-948-2,7380-58-7,2-hydroxyethyl mercaptoacetate,2-hydroxyethyl sulfanylacetate,OCCOC(=O)CS,OCCOC(=O)CS,"InChI=1/C4H8O3S/c5-1-2-7-4(6)3-8/h5,8H,1-3H2",C4H8O3S,,,,,,QKZQKNCNSNZRFA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.648,222-712-2,3584-65-4,2-(trichloromethyl)-1H-benzimidazole,2-(trichloromethyl)-1H-benzimidazole,ClC(Cl)(Cl)c1nc2ccccc2[nH]1,ClC(Cl)(Cl)c1nc2ccccc2[nH]1,"InChI=1/C8H5Cl3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)",C8H5Cl3N2,,,,,,ZVFSYTFFWGYEMM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.660,219-426-5,2435-54-3,"3,4,5,6-tetrabromo-o-benzoquinone","3,4,5,6-tetrabromo-1,2-benzoquinone",BrC1=C(Br)C(=O)C(=O)C(=C1Br)Br,BrC1=C(Br)C(=O)C(=O)C(=C1Br)Br,InChI=1/C6Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6Br4O2,,,,,,DXKHBLYQXDEINJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.665,219-431-2,2436-79-5,"Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate","diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate",CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C,CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C,"InChI=1/C12H17NO4/c1-5-16-11(14)9-7(3)10(13-8(9)4)12(15)17-6-2/h13H,5-6H2,1-4H3",C12H17NO4,,,,,,XSBSXJAYEPDGSF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.667,219-433-3,2436-90-0,"3,7-dimethylocta-1,6-diene","3,7-dimethylocta-1,6-diene",CC(CCC=C(C)C)C=C,CC(CCC=C(C)C)C=C,"InChI=1/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3",C10H18,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14672,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.667,FUDNBFMOXDUIIE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.669,219-435-4,2436-96-6,"2,2'-dinitrobiphenyl","2,2'-dinitrobiphenyl",[O-][N+](=O)c1ccccc1c2ccccc2[N+](=O)[O-],[O-][N+](=O)c1ccccc1c2ccccc2[N+](=O)[O-],InChI=1/C12H8N2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,C12H8N2O4,,,,,,QAFJHDNFUMKVIE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.677,219-444-3,2437-79-8,"2,2',4,4'-tetrachlorobiphenyl","2,2',4,4'-tetrachlorobiphenyl",Clc1ccc(c(Cl)c1)c2ccc(Cl)cc2Cl,Clc1ccc(c(Cl)c1)c2ccc(Cl)cc2Cl,InChI=1/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,C12H6Cl4,,,,,,QORAVNMWUNPXAO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.678,219-445-9,2437-95-8,DL-pin-2(3)-ene,"2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",CC1=CCC2CC1C2(C)C,CC1=CCC2CC1C2(C)C,"InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16,,,,,,GRWFGVWFFZKLTI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.684,219-452-7,2438-80-4,6-deoxy-L-ß-galactose,6-deoxyhexopyranose,CC1OC(O)C(O)C(O)C1O,CC1OC(O)C(O)C(O)C1O,"InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3",C6H12O5,,,,,,SHZGCJCMOBCMKK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.690,219-459-5,3/10/2439,Dodine,1-dodecylguanidine acetate,CCCCCCCCCCCCNC(=N)N.CC(=O)O,CCCCCCCCCCCCNC(=N)N.CC(=O)O,"InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)",C13H29N3.C2H4O2,,,,,,YIKWKLYQRFRGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.691,219-460-0,2439-35-2,2-(dimethylamino)ethyl acrylate,2-(dimethylamino)ethyl acrylate,CN(C)CCOC(=O)C=C,CN(C)CCOC(=O)C=C,"InChI=1/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3",C7H13NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10218,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.691,DPBJAVGHACCNRL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.693,219-462-1,2439-54-5,Methyl(octyl)amine,N-methyloctan-1-amine,CCCCCCCCNC,CCCCCCCCNC,"InChI=1/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3",C9H21N,,,,,,SEGJNMCIMOLEDM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.701,219-471-0,2440-42-8,Ethyliodomercury,ethyl(iodo)mercury,CC[Hg]I,CC[Hg]I,"InChI=1/C2H5.Hg.HI/c1-2;;/h1H2,2H3;;1H/q;+1;/p-1/rC2H5HgI/c1-2-3-4/h2H2,1H3",C2H5HgI,,,,,,BYIGJUQTUPMNMF-UHFFFAOYSA-M,,,,,,,,,,,
100.015.411,216-952-7,1707-68-2,"2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-1,1'-bi-1H-imidazole","2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-1,1'-biimidazole",Clc1ccccc1c2nc(c3ccccc3)c(c4ccccc4)n2n5c(nc(c6ccccc6)c5c7ccccc7)c8ccccc8Cl,Clc1ccccc1c2nc(c3ccccc3)c(c4ccccc4)n2n5c(nc(c6ccccc6)c5c7ccccc7)c8ccccc8Cl,InChI=1/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-37(29-17-5-1-6-18-29)39(31-21-9-3-10-22-31)47(41)48-40(32-23-11-4-12-24-32)38(30-19-7-2-8-20-30)46-42(48)34-26-14-16-28-36(34)44/h1-28H,C42H28Cl2N4,,,,,,VOKXCKZXSBBOPC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.413,216-954-8,1707-77-3,"1,2:5,6-di-O-isopropylidene-D-mannitol","1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol (non-preferred name)",CC1(C)OCC(O1)C(O)C(O)C2COC(C)(C)O2,CC1(C)OCC(O1)C(O)C(O)C2COC(C)(C)O2,"InChI=1/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3",C12H22O6,,,,,,ODYBCPSCYHAGHA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.417,216-959-5,1708-34-5,"2-hexyl-1,3-dioxolane","2-hexyl-1,3-dioxolane",CCCCCCC1OCCO1,CCCCCCC1OCCO1,"InChI=1/C9H18O2/c1-2-3-4-5-6-9-10-7-8-11-9/h9H,2-8H2,1H3",C9H18O2,,,,,,DDSSJDFXTAYRNO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.421,216-963-7,1708-40-3,"2-phenyl-1,3-dioxan-5-ol","2-phenyl-1,3-dioxan-5-ol",OC1COC(OC1)c2ccccc2,OC1COC(OC1)c2ccccc2,"InChI=1/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2",C10H12O3,,,,,,BWKDAAFSXYPQOS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.431,216-974-7,1711-02-0,4-iodobenzoyl chloride,4-iodobenzoyl chloride,ClC(=O)c1ccc(I)cc1,ClC(=O)c1ccc(I)cc1,InChI=1/C7H4ClIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H,C7H4ClIO,,,,,,NJAKCIUOTIPYED-UHFFFAOYSA-N,,,,,,,,,,,
100.015.439,216-983-6,1712-64-7,Isopropyl nitrate,isopropyl nitrate,CC(C)O[N+](=O)[O-],CC(C)O[N+](=O)[O-],"InChI=1/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3",C3H7NO3,,,,,,GAPFWGOSHOCNBM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.830,222-913-5,3658-95-5,"1,1-diethoxybutane","1,1-diethoxybutane",CCCC(OCC)OCC,CCCC(OCC)OCC,"InChI=1/C8H18O2/c1-4-7-8(9-5-2)10-6-3/h8H,4-7H2,1-3H3",C8H18O2,,,,,,UVHXZFGCCJLFMX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.832,222-915-6,3663-21-6,N-(4-butyl-2-nitrophenyl)acetamide,N-(4-butyl-2-nitrophenyl)acetamide,CCCCc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],CCCCc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],"InChI=1/C12H16N2O3/c1-3-4-5-10-6-7-11(13-9(2)15)12(8-10)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15)",C12H16N2O3,,,,,,XXHAVEZHZLGQOE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.831,216-313-2,1556-99-6,4-methyl-9H-fluorene,4-methyl-9H-fluorene,Cc1cccc2Cc3ccccc3c12,Cc1cccc2Cc3ccccc3c12,"InChI=1/C14H12/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)14(10)12/h2-8H,9H2,1H3",C14H12,,,,,,OPFILOLCFWFBNT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.833,216-315-3,1558-24-3,Trichloro(dichloromethyl)silane,trichloro(dichloromethyl)silane,ClC(Cl)[Si](Cl)(Cl)Cl,ClC(Cl)[Si](Cl)(Cl)Cl,"InChI=1/CHCl5Si/c2-1(3)7(4,5)6/h1H",CHCl5Si,,,,,,LQUJCRPJNSUWKY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.836,216-319-5,1558-33-4,Dichloro(chloromethyl)methylsilane,dichloro(chloromethyl)methylsilane,C[Si](Cl)(Cl)CCl,C[Si](Cl)(Cl)CCl,"InChI=1/C2H5Cl3Si/c1-6(4,5)2-3/h2H2,1H3",C2H5Cl3Si,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7761,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.836,JAYBZWYBCUJLNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.845,216-328-4,1560-06-1,1-phenylbut-2-ene,but-2-en-1-ylbenzene,CC=CCc1ccccc1,CC=CCc1ccccc1,"InChI=1/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3",C10H12,,,,,,VUKHQPGJNTXTPY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.850,216-334-7,1561-07-5,"3-dodecyloxypropane-1,2-diol","3-(dodecyloxy)propane-1,2-diol",CCCCCCCCCCCCOCC(O)CO,CCCCCCCCCCCCOCC(O)CO,"InChI=1/C15H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15-17H,2-14H2,1H3",C15H32O3,,,,,,GBXRUYNQDDTQQS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.853,216-337-3,1561-49-5,Dicyclohexyl peroxydicarbonate,[({[(cyclohexyloxy)carbonyl]peroxy}carbonyl)oxy]cyclohexane,O=C(OOC(=O)OC1CCCCC1)OC2CCCCC2,O=C(OOC(=O)OC1CCCCC1)OC2CCCCC2,"InChI=1/C14H22O6/c15-13(17-11-7-3-1-4-8-11)19-20-14(16)18-12-9-5-2-6-10-12/h11-12H,1-10H2",C14H22O6,,,,,,BLCKNMAZFRMCJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.854,216-338-9,1561-75-7,Dihexadecyl disulphide,"1,1'-disulfanediyldihexadecane",CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC,"InChI=1/C32H66S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C32H66S2,,,,,,GUBWMRCVCQFLOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.860,216-345-7,1562-85-2,"1-carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride","1-carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride",[Cl-].CN(C)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)O,[Cl-].CN(C)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)O,"InChI=1/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6H,1-2H3,(H2-,16,18,19,20,21);1H",C15H13N2O5.Cl,,,,,,XDYRJZQEGXNVIT-UHFFFAOYSA-M,,,,,,,,,,,
100.014.862,216-347-8,1562-93-2,4-phenylazobenzoic acid,4-(phenyldiazenyl)benzoic acid,OC(=O)c2ccc(N=Nc1ccccc1)cc2,OC(=O)c2ccc(N=Nc1ccccc1)cc2,"InChI=1/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)",C13H10N2O2,,,,,,CSPTZWQFHBVOLO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.863,216-348-3,1562-94-3,"4,4'-azoxyanisole",1-methoxy-4-[(4-methoxyphenyl)-NNO-azoxy]benzene,COc1ccc(cc1)N=[N+]([O-])c2ccc(OC)cc2,COc1ccc(cc1)N=[N+]([O-])c2ccc(OC)cc2,"InChI=1/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3",C14H14N2O3,,,,,,KAEZRSFWWCTVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.870,216-356-7,1563-85-5,N-acetyl-N-(1-methylethyl)acetamide,N-acetyl-N-isopropylacetamide,CC(C)N(C(=O)C)C(=O)C,CC(C)N(C(=O)C)C(=O)C,"InChI=1/C7H13NO2/c1-5(2)8(6(3)9)7(4)10/h5H,1-4H3",C7H13NO2,,,,,,WCEGPMFZWQIRAR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.873,216-359-3,1564-64-3,9-bromoanthracene,9-bromoanthracene,Brc1c2ccccc2cc3ccccc13,Brc1c2ccccc2cc3ccccc13,InChI=1/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,C14H9Br,,,,,,ZIRVQSRSPDUEOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.874,216-360-9,1564-70-1,1-amino-2-bromo-4-o-toluidinoanthraquinone,"1-amino-2-bromo-4-[(2-methylphenyl)amino]-9,10-anthraquinone",Cc1ccccc1Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23,Cc1ccccc1Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C21H15BrN2O2/c1-11-6-2-5-9-15(11)24-16-10-14(22)19(23)18-17(16)20(25)12-7-3-4-8-13(12)21(18)26/h2-10,24H,23H2,1H3",C21H15BrN2O2,,,,,,TVSTYTRBNPXKHV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.129,216-641-6,1632-89-9,[2H4]acetaldehyde,acetaldehyde,CC=O,CC=O,"InChI=1/C2H4O/c1-2-3/h2H,1H3",C2D4O,,,,,,IKHGUXGNUITLKF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.130,216-642-1,1633-00-7,Hexamethylenediaminetetraacetic acid,"2,2',2'',2'''-(hexane-1,6-diyldinitrilo)tetraacetic acid",OC(=O)CN(CCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O,OC(=O)CN(CCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C14H24N2O8,,,,,,YGDVXSDNEFDTGV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.708,219-478-9,2443-58-5,9H-fluoren-2-ol,9H-fluoren-2-ol,Oc1ccc2c(Cc3ccccc23)c1,Oc1ccc2c(Cc3ccccc23)c1,"InChI=1/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2",C13H10O,,,,,,ZDOIAPGLORMKTR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.412,216-953-2,1707-75-1,"N,N-diphenyl-N'-picrylhydrazine","1,1-diphenyl-2-(2,4,6-trinitrophenyl)hydrazine",O=N(=O)c1cc(c(NN(c2ccccc2)c3ccccc3)c(c1)N(=O)=O)N(=O)=O,O=N(=O)c1cc(c(NN(c2ccccc2)c3ccccc3)c(c1)N(=O)=O)N(=O)=O,"InChI=1/C18H13N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H",C18H13N5O6,,,,,,WCBPJVKVIMMEQC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.419,216-961-6,1708-36-7,"2-hexyl-1,3-dioxan-5-ol","2-hexyl-1,3-dioxan-5-ol",CCCCCCC1OCC(O)CO1,CCCCCCC1OCC(O)CO1,"InChI=1/C10H20O3/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h9-11H,2-8H2,1H3",C10H20O3,,,,,,ZIWLHBBLQRQFSA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.420,216-962-1,1708-39-0,"2-phenyl-1,3-dioxolane-4-methanol","(2-phenyl-1,3-dioxolan-4-yl)methanol",OCC1COC(O1)c2ccccc2,OCC1COC(O1)c2ccccc2,"InChI=1/C10H12O3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2",C10H12O3,,,,,,AUDDNHGBAJNKEH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.423,216-965-8,1708-82-3,Hex-3-enyl acetate,hex-3-en-1-yl acetate,CCC=CCCOC(C)=O,CCC=CCCOC(C)=O,"InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",C8H14O2,,,,,,NPFVOOAXDOBMCE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.434,216-977-3,1711-07-5,3-fluorobenzoyl chloride,3-fluorobenzoyl chloride,Fc1cccc(c1)C(=O)Cl,Fc1cccc(c1)C(=O)Cl,InChI=1/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H,C7H4ClFO,,,,,,SYVNVEGIRVXRQH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.446,216-990-4,1713-14-0,Butyl 2-(4-chloro-2-methylphenoxy)propionate,butyl 2-(4-chloro-2-methylphenoxy)propanoate,CCCCOC(=O)C(C)Oc1ccc(Cl)cc1C,CCCCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C14H19ClO3/c1-4-5-8-17-14(16)11(3)18-13-7-6-12(15)9-10(13)2/h6-7,9,11H,4-5,8H2,1-3H3",C14H19ClO3,,,,,,HLSZELGMPRJPOA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.447,216-992-5,1713-15-1,"Isobutyl 2,4-dichlorophenoxyacetate","isobutyl (2,4-dichlorophenoxy)acetate",CC(C)COC(=O)COc1ccc(Cl)cc1Cl,CC(C)COC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3",C12H14Cl2O3,,,,,,GPSGZZSRFJXXBA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.450,216-995-1,1715-33-9,"Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, monosodium salt, (11ß)-","sodium 4-[(11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoate",[Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\\C1=C\\C(=O)\\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,[Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,"InChI=1/C25H32O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1",C25H32O8.Na,,,,,,FKKAEMQFOIDZNY-CODXZCKSSA-M,,,,,,,,,,,
100.015.454,216-999-3,1716-09-2,"O,O-diethyl O-[3-methyl-4-(methylthio)phenyl] thiophosphate","O,O-diethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate",CCOP(=S)(OCC)Oc1ccc(SC)c(C)c1,CCOP(=S)(OCC)Oc1ccc(SC)c(C)c1,"InChI=1/C12H19O3PS2/c1-5-13-16(17,14-6-2)15-11-7-8-12(18-4)10(3)9-11/h7-9H,5-6H2,1-4H3",C12H19O3PS2,,,,,,WGWJBWHBOKETRC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.455,217-000-3,1716-42-3,1-(3-chloropropoxy)-4-fluorobenzene,1-(3-chloropropoxy)-4-fluorobenzene,Fc1ccc(OCCCCl)cc1,Fc1ccc(OCCCCl)cc1,"InChI=1/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2",C9H10ClFO,,,,,,DFFWYMMOMUTKOI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.456,217-001-9,1717-50-6,"2,2,4,4-tetrafluoro-1,3-dithietane","2,2,4,4-tetrafluoro-1,3-dithietane",FC1(F)SC(F)(F)S1,FC1(F)SC(F)(F)S1,"InChI=1/C2F4S2/c3-1(4)7-2(5,6)8-1",C2F4S2,,,,,,MPOCEMBRPHOCMK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.459,217-005-0,1719-53-5,Dichloro(diethyl)silane,dichloro(diethyl)silane,CC[Si](Cl)(Cl)CC,CC[Si](Cl)(Cl)CC,"InChI=1/C4H10Cl2Si/c1-3-7(5,6)4-2/h3-4H2,1-2H3",C4H10Cl2Si,,,,,,BYLOHCRAPOSXLY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.329,243-278-0,19763-90-7,"(3,4-dichlorophenyl)hydrazine monohydrochloride","(3,4-dichlorophenyl)hydrazine hydrochloride",Cl.NNc1ccc(Cl)c(Cl)c1,Cl.NNc1ccc(Cl)c(Cl)c1,"InChI=1/C6H6Cl2N2.ClH/c7-5-2-1-4(10-9)3-6(5)8;/h1-3,10H,9H2;1H",C6H6Cl2N2.ClH,,,,,,WIKZRYSGQPZTMM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.330,243-279-6,19764-32-0,N-acetyl-D-tyrosine,N-acetyl-D-tyrosine,CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O,CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)",C11H13NO4,,,,,,CAHKINHBCWCHCF-SNVBAGLBSA-N,,,,,,,,,,,
100.039.340,243-290-6,19773-50-3,Isobutyl (Z)-docos-13-enoate,isobutyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCC(C)C,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(C)C,"InChI=1/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h11-12,25H,4-10,13-24H2,1-3H3",C26H50O2,,,,,,VTAMRSRSTWWDEQ-QXMHVHEDSA-N,,,,,,,,,,,
100.039.357,243-309-8,19781-81-8,Hept-4-yn-2-ol,hept-4-yn-2-ol,CCC#CCC(C)O,CCC#CCC(C)O,"InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3",C7H12O,,,,,,CXVIEBMEWKSONY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.140,230-954-5,7382-32-3,1-[2-(2-methoxyethoxy)ethoxy]butane,1-[2-(2-methoxyethoxy)ethoxy]butane,CCCCOCCOCCOC,CCCCOCCOCCOC,"InChI=1/C9H20O3/c1-3-4-5-11-8-9-12-7-6-10-2/h3-9H2,1-2H3",C9H20O3,,,,,,HYLLZXPMJRMUHH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.142,230-956-6,7383-61-1,Isopropyl mercaptoacetate,isopropyl sulfanylacetate,CC(C)OC(=O)CS,CC(C)OC(=O)CS,"InChI=1/C5H10O2S/c1-4(2)7-5(6)3-8/h4,8H,3H2,1-2H3",C5H10O2S,,,,,,KLHDJBCAYIXOTA-UHFFFAOYSA-N,,,,,,,,,,,
100.028.145,230-959-2,7383-98-4,"N-(1-methylpropyl)-N'-phenylbenzene-1,2-diamine","N-sec-butyl-N'-phenylbenzene-1,2-diamine",CCC(C)Nc1ccccc1Nc2ccccc2,CCC(C)Nc1ccccc1Nc2ccccc2,"InChI=1/C16H20N2/c1-3-13(2)17-15-11-7-8-12-16(15)18-14-9-5-4-6-10-14/h4-13,17-18H,3H2,1-2H3",C16H20N2,,,,,,OWHWHWGFYMLSTN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.146,230-960-8,7384-22-7,Lithium oleate,lithium octadec-9-enoate,[Li+].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Li+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H34O2.Li,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/17159,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.146,AVOVSJYQRZMDQJ-KVVVOXFISA-M,,,,,,,,,,,
100.028.147,230-961-3,7384-80-7,2-methyl-3-phenylpropanol,2-methyl-3-phenylpropan-1-ol,CC(CO)Cc1ccccc1,CC(CO)Cc1ccccc1,"InChI=1/C10H14O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3",C10H14O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1595,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.147,LTZKHYYXQWNXPU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.150,230-965-5,7385-65-1,"4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride","4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride",FC(=O)C1(OC(F)(F)C(F)(O1)C(F)(F)F)C(F)(F)F,FC(=O)C1(OC(F)(F)C(F)(O1)C(F)(F)F)C(F)(F)F,"InChI=1/C6F10O3/c7-1(17)2(4(9,10)11)18-3(8,5(12,13)14)6(15,16)19-2",C6F10O3,,,,,,IHZQVNJWZLTECJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.152,230-967-6,7385-99-1,Pyridine-2-carbaldehyde 2-quinolylhydrazone,2-[2-(pyridin-2-ylmethylene)hydrazino]quinoline,N(N=Cc1ccccn1)c2ccc3ccccc3n2,N(N=Cc1ccccn1)c2ccc3ccccc3n2,"InChI=1/C15H12N4/c1-2-7-14-12(5-1)8-9-15(18-14)19-17-11-13-6-3-4-10-16-13/h1-11H,(H,18,19)",C15H12N4,,,,,,RQKUHYQNHJJIFO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.153,230-968-1,7386-24-5,Cyclodecyl acetate,cyclodecyl acetate,CC(=O)OC1CCCCCCCCC1,CC(=O)OC1CCCCCCCCC1,"InChI=1/C12H22O2/c1-11(13)14-12-9-7-5-3-2-4-6-8-10-12/h12H,2-10H2,1H3",C12H22O2,,,,,,KNPITBTYJPSSJM-UHFFFAOYSA-N,,,,,,,,,,,
100.028.154,230-969-7,7388-22-9,"3-methyl-4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one","4-(2,2-dimethyl-6-methylenecyclohexyl)-3-methylbut-3-en-2-one",C=C1CCCC(C)(C)C1C=C(C)C(C)=O,C=C1CCCC(C)(C)C1C=C(C)C(C)=O,"InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,13H,1,6-8H2,2-5H3",C14H22O,,,,,,YQUFLLFXOARBNW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.155,230-970-2,7388-44-5,"Tetrahydro-3,5-bis(methoxymethyl)-4H-1,3,5-oxadiazin-4-one","3,5-bis(methoxymethyl)-1,3,5-oxadiazinan-4-one",COCN1COCN(COC)C1=O,COCN1COCN(COC)C1=O,"InChI=1/C7H14N2O4/c1-11-3-8-5-13-6-9(4-12-2)7(8)10/h3-6H2,1-2H3",C7H14N2O4,,,,,,LHZGEGQZBPULEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.160,230-976-5,7390-75-2,tert-butyl decasulphide,di-tert-butyldecasulfane,CC(C)(C)SSSSSSSSSSC(C)(C)C,CC(C)(C)SSSSSSSSSSC(C)(C)C,"InChI=1/C8H18S10/c1-7(2,3)9-11-13-15-17-18-16-14-12-10-8(4,5)6/h1-6H3",C8H18S10,,,,,,CFVSBRWJQMFJAO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.161,230-977-0,7390-81-0,Hexadecyloxirane,2-hexadecyloxirane,CCCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCCC1CO1,"InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3",C18H36O,,,,,,QBJWYMFTMJFGOL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.165,230-981-2,7391-66-4,"1,3-dimethyl-5-phenylbarbituric acid","1,3-dimethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",CN1C(=O)C(C(=O)N(C)C1=O)c2ccccc2,CN1C(=O)C(C(=O)N(C)C1=O)c2ccccc2,"InChI=1/C12H12N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h3-7,9H,1-2H3",C12H12N2O3,,,,,,UGFMJBRXTRUGJC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.174,230-991-7,7397-62-8,Butyl glycollate,butyl glycolate,CCCCOC(=O)CO,CCCCOC(=O)CO,"InChI=1/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3",C6H12O3,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1227,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.174,VFGRALUHHHDIQI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.177,230-994-3,7398-82-5,"a,a,a',a'-tetrachloro-p-xylene","1,4-bis(dichloromethyl)benzene",ClC(Cl)c1ccc(cc1)C(Cl)Cl,ClC(Cl)c1ccc(cc1)C(Cl)Cl,"InChI=1/C8H6Cl4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H",C8H6Cl4,,,,,,VOWDXSFJQOEFSH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.351,227-886-3,6026-43-3,"N,N'-dibutyl-1,1-dimethylsilanediamine","N,N'-dibutyl-1,1-dimethylsilanediamine",CCCCN[Si](C)(C)NCCCC,CCCCN[Si](C)(C)NCCCC,"InChI=1/C10H26N2Si/c1-5-7-9-11-13(3,4)12-10-8-6-2/h11-12H,5-10H2,1-4H3",C10H26N2Si,,,,,,BOYBHDHQCOROOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.352,227-887-9,6026-63-7,Dithulium tricarbonate,dithulium tricarbonate,[Tm+3].[Tm+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[Tm+3].[Tm+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2Tm/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3Tm,,,,,,ZXOGQNPNWAUSGY-UHFFFAOYSA-H,,,,,,,,,,,
100.015.440,216-984-1,1712-70-5,4-chloro-a-methylstyrene,1-chloro-4-isopropenylbenzene,CC(=C)c1ccc(Cl)cc1,CC(=C)c1ccc(Cl)cc1,"InChI=1/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3",C9H9Cl,,,,,,WQDGTJOEMPEHHL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.451,216-996-7,1715-40-8,Bromocyclen,"5-(bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene",ClC1=C(Cl)C2(Cl)C(CBr)CC1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C(CBr)CC1(Cl)C2(Cl)Cl,"InChI=1/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2",C8H5BrCl6,,,,,,DAASOABUJRMZAD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.458,217-004-5,1719-06-8,[2H10]anthracene,anthracene,c1ccc2cc3ccccc3cc2c1,c1ccc2cc3ccccc3cc2c1,InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H,C14D10,,,,,,MWPLVEDNUUSJAV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.336,243-285-9,19767-45-4,Mesna,sodium 2-sulfanylethanesulfonate,[Na+].[O-]S(=O)(=O)CCS,[Na+].[O-]S(=O)(=O)CCS,"InChI=1/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1",C2H6O3S2.Na,,,,,,XOGTZOOQQBDUSI-UHFFFAOYSA-M,,,,,,,,,,,
100.039.338,243-288-5,19772-79-3,Vobtusine,vobtusine,COC(=O)C1=C2Nc3ccccc3[C@@]24CCN5C[C@]6(C[C@@H]7C[C@]89CCO[C@H]8CCN%10CC[C@]%11([C@H]9%10)c%12cccc(OC)c%12N(C6)[C@@]7%11O)[C@@H]%13OCC[C@]%13(C1)[C@@H]45,COC(=O)C1=C2Nc3ccccc3[C@@]24CCN5C[C@]6(C[C@@H]7C[C@]89CCO[C@H]8CCN%10CC[C@]%11([C@H]9%10)c%12cccc(OC)c%12N(C6)[C@@]7%11O)[C@@H]%13OCC[C@]%13(C1)[C@@H]45,"InChI=1/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3",C43H50N4O6,,,,,,IIMPGJMHQMBXKL-OPDPKHDKSA-N,,,,,,,,,,,
100.039.341,243-291-1,19773-56-9,Hexyl (Z)-docos-13-enoate,hexyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCCCCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCCCCCC,"InChI=1/C28H54O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28(29)30-27-25-8-6-4-2/h13-14H,3-12,15-27H2,1-2H3",C28H54O2,,,,,,BTCSWCWVQVIBDB-YPKPFQOOSA-N,,,,,,,,,,,
100.039.342,243-292-7,19773-58-1,Octyl (Z)-docos-13-enoate,octyl docos-13-enoate,CCCCCCCCOC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCOC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C30H58O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29-27-25-10-8-6-4-2/h14-15H,3-13,16-29H2,1-2H3",C30H58O2,,,,,,MQIFQWJBRAGLBF-PFONDFGASA-N,,,,,,,,,,,
100.039.344,243-294-8,19778-85-9,"2-methyl-2-[[(1-oxoallyl)oxy]methyl]propane-1,3-diyl diacrylate",3-(acryloyloxy)-2-[(acryloyloxy)methyl]-2-methylpropyl acrylate (non-preferred name),CC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,CC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C14H18O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h5-7H,1-3,8-10H2,4H3",C14H18O6,,,,,,HSZUHSXXAOWGQY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.348,243-299-5,19780-25-7,2-ethyl-2-butenal,2-ethylbut-2-enal,CCC(=CC)C=O,CCC(=CC)C=O,"InChI=1/C6H10O/c1-3-6(4-2)5-7/h3,5H,4H2,1-2H3",C6H10O,,,,,,IQGZCSXWIRBTRW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.362,243-315-0,19788-77-3,"6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate","6-fluoro-17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H29FO5/c1-13-9-18-16-11-20(25)19-10-15(27)5-7-22(19,3)17(16)6-8-23(18,4)24(13,29)21(28)12-30-14(2)26/h5-7,10,13,16,18,20,29H,8-9,11-12H2,1-4H3",C24H29FO5,,,,,,OTBHQPRZABRZMT-MQANLOPGSA-N,,,,,,,,,,,
100.039.363,243-316-6,19789-35-6,o-tert-butylstyrene,1-tert-butyl-2-vinylbenzene,CC(C)(C)c1ccccc1C=C,CC(C)(C)c1ccccc1C=C,"InChI=1/C12H16/c1-5-10-8-6-7-9-11(10)12(2,3)4/h5-9H,1H2,2-4H3",C12H16,,,,,,LUECERFWADIZPD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.365,243-318-7,19795-11-0,N-[3-(dimethylamino)propyl]-3-hydroxynaphthalene-2-carboxamide,N-[3-(dimethylamino)propyl]-3-hydroxy-2-naphthamide,CN(C)CCCNC(=O)c1cc2ccccc2cc1O,CN(C)CCCNC(=O)c1cc2ccccc2cc1O,"InChI=1/C16H20N2O2/c1-18(2)9-5-8-17-16(20)14-10-12-6-3-4-7-13(12)11-15(14)19/h3-4,6-7,10-11,19H,5,8-9H2,1-2H3,(H,17,20)",C16H20N2O2,,,,,,DFTPLSXMJPFUMX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.369,243-322-9,19798-93-7,"Tetrahydro-6-phenyl-2H-1,3-oxazine","6-phenyl-1,3-oxazinane",C1CC(OCN1)c2ccccc2,C1CC(OCN1)c2ccccc2,"InChI=1/C10H13NO/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10-11H,6-8H2",C10H13NO,,,,,,NXRSRCLQERAMPF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.500,248-966-4,28322-40-9,Isopentyltriphenylphosphonium bromide,(3-methylbutyl)(triphenyl)phosphonium bromide,[Br-].CC(C)CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CC(C)CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C23H26P.BrH/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1",C23H26P.Br,,,,,,GZLGTVRDLCJQTO-UHFFFAOYSA-M,,,,,,,,,,,
100.020.668,222-734-2,3591-42-2,"2,2-dichloro-1-methylcyclopropylbenzene","(2,2-dichloro-1-methylcyclopropyl)benzene",CC1(CC1(Cl)Cl)c2ccccc2,CC1(CC1(Cl)Cl)c2ccccc2,"InChI=1/C10H10Cl2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3",C10H10Cl2,,,,,,NXYPRVQXSWVEOB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.970,242-884-2,19213-75-3,"N2,N6-bis(1-oxooctyl)-L-lysine","N~2~,N~6~-dioctanoyl-L-lysine",CCCCCCCC(=O)NCCCC[C@H](NC(=O)CCCCCCC)C(=O)O,CCCCCCCC(=O)NCCCC[C@H](NC(=O)CCCCCCC)C(=O)O,"InChI=1/C22H42N2O4/c1-3-5-7-9-11-16-20(25)23-18-14-13-15-19(22(27)28)24-21(26)17-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)",C22H42N2O4,,,,,,FFRCNMMHOOKLAK-IBGZPJMESA-N,,,,,,,,,,,
100.038.971,242-885-8,19216-56-9,Prazosin,"2-[4-(2-furoyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine",COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4,COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4,"InChI=1/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",C19H21N5O4,,,,,,IENZQIKPVFGBNW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.972,242-886-3,19218-94-1,1-iodotetradecane,1-iodotetradecane,CCCCCCCCCCCCCCI,CCCCCCCCCCCCCCI,"InChI=1/C14H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",C14H29I,,,,,,FHQCFGPKNSSISL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.973,242-887-9,19219-98-8,"2,5,6-trimethylbenzoxazole","2,5,6-trimethyl-1,3-benzoxazole",Cc1oc2cc(C)c(C)cc2n1,Cc1oc2cc(C)c(C)cc2n1,"InChI=1/C10H11NO/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3",C10H11NO,,,,,,PDVDINPEWGXOHX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.976,242-891-0,19220-93-0,Perfluorophenyl acetate,pentafluorophenyl acetate,CC(=O)Oc1c(F)c(F)c(F)c(F)c1F,CC(=O)Oc1c(F)c(F)c(F)c(F)c1F,InChI=1/C8H3F5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3,C8H3F5O2,,,,,,ZXTVBLZVILLKPM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.984,242-899-4,19231-06-2,Bis(p-methoxyphenyl)iodonium bromide,bis(4-methoxyphenyl)iodonium bromide,[Br-].COc1ccc([I+]c2ccc(OC)cc2)cc1,[Br-].COc1ccc([I+]c2ccc(OC)cc2)cc1,"InChI=1/C14H14IO2.BrH/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;/h3-10H,1-2H3;1H/q+1;/p-1",C14H14IO2.Br,,,,,,YDSNSDXMWRVLLI-UHFFFAOYSA-M,,,,,,,,,,,
100.038.992,242-908-1,19244-91-8,"1,4-bis(2-methylprop-1-enyl)piperazine","1,4-bis(2-methylprop-1-en-1-yl)piperazine",CC(=CN1CCN(CC1)C=C(C)C)C,CC(=CN1CCN(CC1)C=C(C)C)C,"InChI=1/C12H22N2/c1-11(2)9-13-5-7-14(8-6-13)10-12(3)4/h9-10H,5-8H2,1-4H3",C12H22N2,,,,,,YNGSZDZAESJMEY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.998,242-914-4,19248-13-6,N-ethyl-N-(m-tolyl)ethylenediamine,"N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine",CCN(CCN)c1cccc(C)c1,CCN(CCN)c1cccc(C)c1,"InChI=1/C11H18N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,12H2,1-2H3",C11H18N2,,,,,,FTMVEUXYYDLYFH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.127,243-056-3,19433-84-2,"2,3-dichloropropionamide","2,3-dichloropropanamide",NC(=O)C(Cl)CCl,NC(=O)C(Cl)CCl,"InChI=1/C3H5Cl2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7)",C3H5Cl2NO,,,,,,SQGUQSRDWXDLIH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.128,243-057-9,19433-86-4,Sodium 2-amino-5-methoxybenzenesulphonate,sodium 2-amino-5-methoxybenzenesulfonate,[Na+].COc1ccc(N)c(c1)S(=O)(=O)[O-],[Na+].COc1ccc(N)c(c1)S(=O)(=O)[O-],"InChI=1/C7H9NO4S.Na/c1-12-5-2-3-6(8)7(4-5)13(9,10)11;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1",C7H9NO4S.Na,,,,,,IEIWNKOVMOXPAO-UHFFFAOYSA-M,,,,,,,,,,,
100.042.978,247-291-2,25834-80-4,"2,4-bis(p-aminobenzyl)aniline","2,4-bis(4-aminobenzyl)aniline",Nc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1,Nc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1,"InChI=1/C20H21N3/c21-18-6-1-14(2-7-18)11-16-5-10-20(23)17(13-16)12-15-3-8-19(22)9-4-15/h1-10,13H,11-12,21-23H2",C20H21N3,,,,,,KKVLCJIOPNYOQN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.980,247-293-3,25850-49-1,"1,3-bis(1,2-dibromoethyl)benzene","1,3-bis(1,2-dibromoethyl)benzene",BrCC(Br)c1cccc(c1)C(Br)CBr,BrCC(Br)c1cccc(c1)C(Br)CBr,"InChI=1/C10H10Br4/c11-5-9(13)7-2-1-3-8(4-7)10(14)6-12/h1-4,9-10H,5-6H2",C10H10Br4,,,,,,BTMPLMJADSPMBB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.981,247-294-9,25850-52-6,Gallium trilactate,gallium tris(2-hydroxypropanoate),[Ga+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Ga+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/3C3H6O3.Ga/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3",C3H6O3.1/3Ga,,,,,,BESJNOQLGUOPSI-UHFFFAOYSA-K,,,,,,,,,,,
100.042.986,247-301-5,25857-05-0,"Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl] adipate","bis(2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}ethyl) adipate",CCN(CCOC(=O)CCCCC(=O)OCCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCOC(=O)CCCCC(=O)OCCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C36H40N6O4/c1-5-41(33-13-11-31(27(3)19-33)21-29(23-37)24-38)15-17-45-35(43)9-7-8-10-36(44)46-18-16-42(6-2)34-14-12-32(28(4)20-34)22-30(25-39)26-40/h11-14,19-22H,5-10,15-18H2,1-4H3",C36H40N6O4,,,,,,PDOOQWTZCPNMLF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.992,247-307-8,25875-50-7,Robenidine hydrochloride,"N',2-bis(4-chlorobenzylidene)hydrazinecarboximidohydrazide hydrochloride",Cl.Clc2ccc(C=NNC(=N)NN=Cc1ccc(Cl)cc1)cc2,Cl.Clc2ccc(C=NNC(=N)NN=Cc1ccc(Cl)cc1)cc2,"InChI=1/C15H13Cl2N5.ClH/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12;/h1-10H,(H3,18,21,22);1H",C15H13Cl2N5.ClH,,,,,,LTWIBTYLSRDGHP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.996,247-312-5,25882-73-9,3-methyloctanal,3-methyloctanal,CCCCCC(C)CC=O,CCCCCC(C)CC=O,"InChI=1/C9H18O/c1-3-4-5-6-9(2)7-8-10/h8-9H,3-7H2,1-2H3",C9H18O,,,,,,ZOBGMJLKAHONRM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.358,243-310-3,19783-14-3,Lead hydroxide,lead(4+) tetrahydroxide,[Pb+2].[OH-].[OH-],[Pb+2].[OH-].[OH-],InChI=1/2H2O.Pb.2H/h2*1H2;;;/q;;+4;;/p-2/r2H2O.H2Pb/h3*1H2/q;;+4/p-2,H2O2Pb,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2047,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.358,VNZYIVBHUDKWEO-UHFFFAOYSA-L,,,,,,,,,,,
100.039.361,243-314-5,19788-49-9,Ethyl 2-mercaptopropionate,ethyl 2-sulfanylpropanoate,CCOC(=O)C(C)S,CCOC(=O)C(C)S,"InChI=1/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3",C5H10O2S,,,,,,LXXNWCFBZHKFPT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.364,243-317-1,19794-93-5,Trazodone,"2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one",Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2,Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2,"InChI=1/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2",C19H22ClN5O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10407,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.364,PHLBKPHSAVXXEF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.366,243-319-2,19795-24-5,"Dialuminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2,9-disulphonate)","dialuminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2,9-disulphonate)",[Al+3].[Al+3].[O-]S(=O)(=O)c1ccc2Nc3cc4C(=O)c5cc(ccc5Nc4cc3C(=O)c2c1)S(=O)(=O)[O-].[O-]S(=O)(=O)c6ccc7Nc8cc9C(=O)c%10cc(ccc%10Nc9cc8C(=O)c7c6)S(=O)(=O)[O-].[O-]S(=O)(=O)c%11ccc%12Nc%13cc%14C(=O)c%15cc(ccc%15Nc%14cc%13C(=O)c%12c%11)S(=O)(=O)[O-],[Al+3].[Al+3].[O-]S(=O)(=O)c1ccc2Nc3cc4C(=O)c5cc(ccc5Nc4cc3C(=O)c2c1)S(=O)(=O)[O-].[O-]S(=O)(=O)c6ccc7Nc8cc9C(=O)c%10cc(ccc%10Nc9cc8C(=O)c7c6)S(=O)(=O)[O-].[O-]S(=O)(=O)c%11ccc%12Nc%13cc%14C(=O)c%15cc(ccc%15Nc%14cc%13C(=O)c%12c%11)S(=O)(=O)[O-],"InChI=1/3C20H12N2O8S2.2Al/c3*23-19-11-5-9(31(25,26)27)1-3-15(11)21-17-7-14-18(8-13(17)19)22-16-4-2-10(32(28,29)30)6-12(16)20(14)24;;/h3*1-8H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30);;/q;;;2*+3/p-6",C20H12N2O8S2.2/3Al,,,,,,NTFNBXONJXBAOJ-UHFFFAOYSA-H,,,,,,,,,,,
100.039.367,243-320-8,19795-96-1,"2-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid","2-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzoic acid",OC(=O)c1ccccc1Nc2cccc3C(=O)c4ccccc4C(=O)c23,OC(=O)c1ccccc1Nc2cccc3C(=O)c4ccccc4C(=O)c23,"InChI=1/C21H13NO4/c23-19-12-6-1-2-7-13(12)20(24)18-15(19)9-5-11-17(18)22-16-10-4-3-8-14(16)21(25)26/h1-11,22H,(H,25,26)",C21H13NO4,,,,,,BXSCARJCEFJTJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.501,248-968-5,28322-92-1,"Pyridine, compound with sulphur trioxide",oxosulfane dioxide - pyridine (1:1),O=S(=O)=O.c1ccncc1,O=S(=O)=O.c1ccncc1,InChI=1/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;,C5H5N.xO3S,,,,,,UDYFLDICVHJSOY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.662,222-727-4,3588-63-4,N-benzyloxycarbonyl-DL-valine,N-[(benzyloxy)carbonyl]valine,OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C,OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C,"InChI=1/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)",C13H17NO4,,,,,,CANZBRDGRHNSGZ-NSHDSACASA-N,,,,,,,,,,,
100.020.663,222-729-5,3588-76-9,4-amino-3-hydroxybenzenesulphonamide,4-amino-3-hydroxybenzenesulfonamide,Nc1ccc(cc1O)S(=O)(=O)N,Nc1ccc(cc1O)S(=O)(=O)N,"InChI=1/C6H8N2O3S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3,9H,7H2,(H2,8,10,11)",C6H8N2O3S,,,,,,YIGBNEDFDIDTJU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.665,222-731-6,3590-52-1,"2,2'-[(4-nitrosophenyl)imino]bisethanol","2,2'-[(4-nitrosophenyl)imino]diethanol",OCCN(CCO)c1ccc(cc1)N=O,OCCN(CCO)c1ccc(cc1)N=O,"InChI=1/C10H14N2O3/c13-7-5-12(6-8-14)10-3-1-9(11-15)2-4-10/h1-4,13-14H,5-8H2",C10H14N2O3,,,,,,RLEHYCNEHWSDLS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.669,222-735-8,3593-85-9,Methandriol dipropionate,"17-methylandrost-5-ene-3,17-diyl dipropanoate",CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)OC(=O)CC)[C@@H]3CC=C2C1,CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)OC(=O)CC)[C@@H]3CC=C2C1,"InChI=1/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3",C26H40O4,,,,,,YUKFLTKJFMBYJM-QNSWYLPSSA-N,,,,,,,,,,,
100.020.670,222-736-3,3593-92-8,"17,21-dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate","17-hydroxy-3,11,20-trioxopregn-4-en-21-yl heptanoate",CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C28H40O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h15,20-21,25,33H,4-14,16-17H2,1-3H3",C28H40O6,,,,,,FCPICBCSNRSSEJ-JGCKISFHSA-N,,,,,,,,,,,
100.020.673,222-740-5,9/05/3595,p-[2-(dimethylamino)ethyl]phenol sulphate,4-[2-(dimethylamino)ethyl]phenol sulfate (salt),CN(C)CCc1ccc(O)cc1.OS(=O)(=O)O,CN(C)CCc1ccc(O)cc1.OS(=O)(=O)O,"InChI=1/C10H15NO.H2O4S/c1-11(2)8-7-9-3-5-10(12)6-4-9;1-5(2,3)4/h3-6,12H,7-8H2,1-2H3;(H2,1,2,3,4)",C10H15NO.xH2O4S,,,,,,OIIQUBZPQJNHQK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.677,222-744-7,3597-63-5,"2H-1,4-benzoxazine-2,3(4H)-dione","2H-1,4-benzoxazine-2,3(4H)-dione",O=C1Nc2ccccc2OC1=O,O=C1Nc2ccccc2OC1=O,"InChI=1/C8H5NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,10)",C8H5NO3,,,,,,MNDKNFRJYMSGTH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.678,222-745-2,3597-91-9,p-phenylbenzyl alcohol,biphenyl-4-ylmethanol,OCc1ccc(cc1)c2ccccc2,OCc1ccc(cc1)c2ccccc2,"InChI=1/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2",C13H12O,,,,,,AXCHZLOJGKSWLV-UHFFFAOYSA-N,,,,,,,,,,,
100.025.364,227-900-8,6028-47-3,"Bis(1,3-dimethylbutyl) dithiophosphate","O,S-bis(1,3-dimethylbutyl) hydrogen dithiophosphate",CC(C)CC(C)SP(=O)(S)OC(C)CC(C)C,CC(C)CC(C)SP(=O)(S)OC(C)CC(C)C,"InChI=1/C12H27O2PS2/c1-9(2)7-11(5)14-15(13,16)17-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,13,16)",C12H27O2PS2,,,,,,LCRXHMUGHYKRBW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.001,229-700-6,6661-26-3,Disodium 5-[[4-[[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate,disodium 5-[(4-{[4-({6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)phenyl]carbamoyl}phenyl)diazenyl]-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(NC(=O)c3ccc(N)cc3)ccc4c5O)S([O-])(=O)=O)cc6,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(NC(=O)c3ccc(N)cc3)ccc4c5O)S([O-])(=O)=O)cc6,"InChI=1/C37H27N7O9S.2Na/c38-23-5-1-20(2-6-23)36(48)40-27-13-15-29-22(17-27)18-32(54(51,52)53)33(34(29)46)44-42-26-11-9-24(10-12-26)39-35(47)21-3-7-25(8-4-21)41-43-28-14-16-31(45)30(19-28)37(49)50;;/h1-19,45-46H,38H2,(H,39,47)(H,40,48)(H,49,50)(H,51,52,53);;/q;2*+1/p-2",C37H27N7O9S.2Na,,,,,,ILDOEHXARNMTNN-UHFFFAOYSA-L,,,,,,,,,,,
100.027.002,229-701-1,6661-29-6,"Tetrasodium 3,3'-(carbonyldiimino)bis[6-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]benzoate]",tetrasodium 2-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-5-[({4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3-carboxylatophenyl}carbamoyl)amino]benzoate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2cc(Nc1ccccc1)ccc2c(O)c8N=Nc3ccc(cc3C([O-])=O)NC(=O)Nc7ccc(N=Nc5c(cc4cc(ccc4c5O)Nc6ccccc6)S([O-])(=O)=O)c(c7)C([O-])=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2cc(Nc1ccccc1)ccc2c(O)c8N=Nc3ccc(cc3C([O-])=O)NC(=O)Nc7ccc(N=Nc5c(cc4cc(ccc4c5O)Nc6ccccc6)S([O-])(=O)=O)c(c7)C([O-])=O,"InChI=1/C47H34N8O13S2.4Na/c56-43-33-15-11-29(48-27-7-3-1-4-8-27)19-25(33)21-39(69(63,64)65)41(43)54-52-37-17-13-31(23-35(37)45(58)59)50-47(62)51-32-14-18-38(36(24-32)46(60)61)53-55-42-40(70(66,67)68)22-26-20-30(12-16-34(26)44(42)57)49-28-9-5-2-6-10-28;;;;/h1-24,48-49,56-57H,(H,58,59)(H,60,61)(H2,50,51,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C47H34N8O13S2.4Na,,,,,,FNNGVKYZRITYFU-UHFFFAOYSA-J,,,,,,,,,,,
100.027.003,229-702-7,6661-40-1,"Sodium hydrogen -2-ethoxy-5-[[4-[[4-[(4-ethoxy-3-sulphonatophenyl)amino]phenyl]-(1H-indol-3-yl-1-methyl-2-phenyl)methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulphonate","sodium 2-ethoxy-5-({4-[{4-[(4-ethoxy-3-sulfophenyl)amino]phenyl}(1-methyl-2-phenyl-1H-indol-3-yl)methylene]cyclohexa-2,5-dien-1-ylidene}amino)benzenesulfonate",CCOc1ccc(Nc2ccc(cc2)C(=C3C=CC(=Nc4ccc(OCC)c(c4)S(=O)(=O)O[Na])C=C3)c5c(c6ccccc6)n(C)c7ccccc57)cc1S(=O)(=O)O,CCOc1ccc(Nc2ccc(cc2)C(=C3C=CC(=Nc4ccc(OCC)c(c4)S(=O)(=O)O[Na])C=C3)c5c(c6ccccc6)n(C)c7ccccc57)cc1S(=O)(=O)O,"InChI=1/C44H39N3O8S2.Na/c1-4-54-38-25-23-34(27-40(38)56(48,49)50)45-32-19-15-29(16-20-32)42(43-36-13-9-10-14-37(36)47(3)44(43)31-11-7-6-8-12-31)30-17-21-33(22-18-30)46-35-24-26-39(55-5-2)41(28-35)57(51,52)53;/h6-28,45H,4-5H2,1-3H3,(H,48,49,50)(H,51,52,53);/q;+1/p-1/rC44H38N3NaO8S2/c1-4-54-38-25-23-34(27-40(38)57(49,50)51)45-32-19-15-29(16-20-32)42(43-36-13-9-10-14-37(36)47(3)44(43)31-11-7-6-8-12-31)30-17-21-33(22-18-30)46-35-24-26-39(55-5-2)41(28-35)58(52,53)56-48/h6-28,45H,4-5H2,1-3H3,(H,49,50,51)",C44H39N3O8S2.Na,,,,,,OPOPGFDDBYCDEO-UHFFFAOYSA-M,,,,,,,,,,,
100.027.004,229-703-2,6661-54-7,2-butoxyethyl tosylate,2-butoxyethyl 4-methylbenzenesulfonate,CCCCOCCOS(=O)(=O)c1ccc(C)cc1,CCCCOCCOS(=O)(=O)c1ccc(C)cc1,"InChI=1/C13H20O4S/c1-3-4-9-16-10-11-17-18(14,15)13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3",C13H20O4S,,,,,,LLLXGCKPGCZALY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.010,229-710-0,6671-52-9,Potassium 2-chloro-5-nitrobenzenesulphonate,potassium 2-chloro-5-nitrobenzenesulfonate,[K+].[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)[O-],[K+].[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)[O-],"InChI=1/C6H4ClNO5S.K/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,(H,11,12,13);/q;+1/p-1",C6H4ClNO5S.K,,,,,,LVCBJLCNUCMGNV-UHFFFAOYSA-M,,,,,,,,,,,
100.027.011,229-711-6,6672-30-6,(+)-3-methylcyclopentanone,3-methylcyclopentanone,CC1CCC(=O)C1,CC1CCC(=O)C1,"InChI=1/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3",C6H10O,,,,,,AOKRXIIIYJGNNU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.014,229-714-2,6677-96-9,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-methanesulphonate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl methanesulfonate",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COS(=O)(=O)C)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COS(=O)(=O)C)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C22H32O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h10,15-17,19,24,26H,4-9,11-12H2,1-3H3",C22H32O7S,,,,,,AFMXNPUMXZCVGU-CWNVBEKCSA-N,,,,,,,,,,,
100.027.019,229-720-5,6678-18-8,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-undecanoate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl undecanoate",CCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C32H50O6/c1-4-5-6-7-8-9-10-11-12-28(36)38-21-27(35)32(37)18-16-25-24-14-13-22-19-23(33)15-17-30(22,2)29(24)26(34)20-31(25,32)3/h19,24-26,29,34,37H,4-18,20-21H2,1-3H3",C32H50O6,,,,,,VAJJLACDNGPVDR-RXBLAQSTSA-N,,,,,,,,,,,
100.024.936,227-429-8,5840-22-2,2-hydroxy-4'-methoxy-2'-methyl-11H-benzo[a]carbazole-3-carboxanilide,2-hydroxy-N-(4-methoxy-2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide,COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)c(C)c1,COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)c(C)c1,"InChI=1/C25H20N2O3/c1-14-11-16(30-2)8-10-21(14)27-25(29)20-12-15-7-9-18-17-5-3-4-6-22(17)26-24(18)19(15)13-23(20)28/h3-13,26,28H,1-2H3,(H,27,29)",C25H20N2O3,,,,,,GMGDWNYWMLZUEF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.672,222-738-4,3594-55-6,"Disodium p,p'-sulphonylbis(phenolate)","disodium 4,4'-sulfonyldiphenolate",[Na]Oc1ccc(cc1)S(=O)(=O)c2ccc(O[Na])cc2,[Na]Oc1ccc(cc1)S(=O)(=O)c2ccc(O[Na])cc2,"InChI=1/C12H10O4S.2Na/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;;/h1-8,13-14H;;/q;2*+1/p-2",C12H10O4S.2Na,,,,,,JGONSKFXXDANLR-UHFFFAOYSA-L,,,,,,,,,,,
100.020.682,222-749-4,3599-28-8,"Disodium [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonate","disodium {4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}arsonate",[Na+].[Na+].Nc1nc(N)nc(Nc2ccc(cc2)[As](=O)([O-])[O-])n1,[Na+].[Na+].Nc1nc(N)nc(Nc2ccc(cc2)[As](=O)([O-])[O-])n1,"InChI=1/C9H11AsN6O3.2Na/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(2-4-6)10(17,18)19;;/h1-4H,(H2,17,18,19)(H5,11,12,13,14,15,16);;/q;2*+1/p-2",C9H11AsN6O3.2Na,,,,,,JNAIKRZHFZIVBS-UHFFFAOYSA-L,,,,,,,,,,,
100.020.696,222-765-1,3605-31-0,"6-(tert-butyl)-1,1-dimethylindan","6-tert-butyl-1,1-dimethylindane",CC(C)(C)c1ccc2CCC(C)(C)c2c1,CC(C)(C)c1ccc2CCC(C)(C)c2c1,"InChI=1/C15H22/c1-14(2,3)12-7-6-11-8-9-15(4,5)13(11)10-12/h6-7,10H,8-9H2,1-5H3",C15H22,,,,,,ZGPWHILODVHWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.704,222-774-0,3608-67-1,1-methyl-4-piperidyl diphenylglycolate,1-methylpiperidin-4-yl hydroxy(diphenyl)acetate,CN1CCC(CC1)OC(=O)C(O)(c2ccccc2)c3ccccc3,CN1CCC(CC1)OC(=O)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3",C20H23NO3,,,,,,UGYPGJCVNPPUPE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.706,222-776-1,4/02/3610,Benzo[b]thiophene-4-ol,1-benzothiophene-4-ol,Oc1cccc2sccc12,Oc1cccc2sccc12,"InChI=1/C8H6OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H",C8H6OS,,,,,,BMRZGYNNZTVECK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.710,219-481-5,2444-28-2,"2,6-di-tert-butylhydroquinone","2,6-di-tert-butylbenzene-1,4-diol",CC(C)(C)c1cc(O)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(O)cc(c1O)C(C)(C)C,"InChI=1/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3",C14H22O2,,,,,,JFGVTUJBHHZRAB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.713,219-484-1,2444-46-4,Nonivamide,N-(4-hydroxy-3-methoxybenzyl)nonanamide,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,"InChI=1/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)",C17H27NO3,,,,,,RGOVYLWUIBMPGK-UHFFFAOYSA-N,Positive,SM833501,[M+H]+,HCD35,137.0597:122.0363:141.1274,CASMI_2016,,,,,
100.017.716,219-487-8,2444-82-8,Butyldichloroaluminium,butyl(dichloro)aluminum,CCCC[Al](Cl)Cl,CCCC[Al](Cl)Cl,"InChI=1/C4H9.Al.2ClH/c1-3-4-2;;;/h1,3-4H2,2H3;;2*1H/q;+2;;/p-2/rC4H9AlCl2/c1-2-3-4-5(6)7/h2-4H2,1H3",C4H9AlCl2,,,,,,SHOVVTSKTTYFGP-UHFFFAOYSA-L,,,,,,,,,,,
100.017.717,219-488-3,2444-90-8,"Disodium 4,4'-isopropylidenediphenolate","disodium 4,4'-propane-2,2-diyldiphenolate",[Na+].[Na+].CC(C)(c1ccc([O-])cc1)c2ccc([O-])cc2,[Na+].[Na+].CC(C)(c1ccc([O-])cc1)c2ccc([O-])cc2,"InChI=1/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;/q;2*+1/p-2",C15H16O2.2Na,,,,,,WGMBWDBRVAKMOO-UHFFFAOYSA-L,,,,,,,,,,,
100.017.720,219-492-5,2445-67-2,Isobutyl 2-methylbutyrate,isobutyl 2-methylbutanoate,CCC(C)C(=O)OCC(C)C,CCC(C)C(=O)OCC(C)C,"InChI=1/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,NWZQCEQAPBRMFX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.725,219-497-2,2445-78-5,2-methylbutyl 2-methylbutyrate,2-methylbutyl 2-methylbutanoate,CCC(C)COC(=O)C(C)CC,CCC(C)COC(=O)C(C)CC,"InChI=1/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,PVYFCGRBIREQLL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.726,219-498-8,2445-82-1,3-methylcoumarin,3-methyl-2H-chromen-2-one,CC1=Cc2ccccc2OC1=O,CC1=Cc2ccccc2OC1=O,"InChI=1/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3",C10H8O2,,,,,,VIIIJFZJKFXOGG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.728,219-500-7,2445-93-4,Ethyl pent-2-en-1-oate,ethyl pent-2-enoate,CCC=CC(=O)OCC,CCC=CC(=O)OCC,"InChI=1/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3",C7H12O2,,,,,,AGMKVZDPATUSMS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.732,219-504-9,2447-57-6,Sulfadoxine,"4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide",COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,"InChI=1/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",C12H14N4O4S,,,,,,PJSFRIWCGOHTNF-UHFFFAOYSA-N,Positive/Negative,mzcloud:651,[M+H]+;[2M+Na]+,HCD_Averaged,65.03857:80.0495:92.0495:108.0444:140.0455:156.0114:245.1033:154.0611:157.0149:68.01309:68.04947,HighChem,mzcloud:651,[M-H]-,HCD_Averaged,63.96245:156.0125:215.0574:230.0809:251.0245:279.0194:294.0428:309.0603:92.0506,HighChem
100.017.733,219-505-4,2447-79-2,"2,4-dichlorobenzamide","2,4-dichlorobenzamide",NC(=O)c1ccc(Cl)cc1Cl,NC(=O)c1ccc(Cl)cc1Cl,"InChI=1/C7H5Cl2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)",C7H5Cl2NO,,,,,,XXFUNTSOBHSMBU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.734,219-507-5,2448-68-2,"1'-[4-(4-fluorophenyl)-4-oxobutyl][1,4'-bipiperidine]-4'-carboxamide dihydrochloride","1'-[4-(4-fluorophenyl)-4-oxobutyl]-1,4'-bipiperidine-4'-carboxamide dihydrochloride",Cl.Cl.NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3,Cl.Cl.NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3,"InChI=1/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H",C21H30FN3O2.2ClH,,,,,,BMXXSXQVMCXGJM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.738,219-511-7,2449-49-2,"N,N,a-trimethylbenzylamine","N,N-dimethyl-1-phenylethanamine",CC(N(C)C)c1ccccc1,CC(N(C)C)c1ccccc1,"InChI=1/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3",C10H15N,,,,,,BVURNMLGDQYNAF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.630,249-109-7,28629-66-5,"Zinc bis(O,O-diisooctyl) bis(dithiophosphate)","zinc bis[O,O-bis(6-methylheptyl) dithiophosphate]",[Zn+2].CC(C)CCCCCOP(=S)([S-])OCCCCCC(C)C.CC(C)CCCCCOP(=S)([S-])OCCCCCC(C)C,[Zn+2].CC(C)CCCCCOP(=S)([S-])OCCCCCC(C)C.CC(C)CCCCCOP(=S)([S-])OCCCCCC(C)C,"InChI=1/2C16H35O2PS2.Zn/c2*1-15(2)11-7-5-9-13-17-19(20,21)18-14-10-6-8-12-16(3)4;/h2*15-16H,5-14H2,1-4H3,(H,20,21);/q;;+2/p-2",C16H35O2PS2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13545,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.630,SXYOAESUCSYJNZ-UHFFFAOYSA-L,,,,,,,,,,,
100.044.634,249-113-9,28631-66-5,"Disodium hydrogen aminomethyl[[4-[(sulphonatophenyl)amino]phenyl][4-[(sulphonatophenyl)imino]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulphonate","disodium hydrogen 2-(aminomethyl)-3-({4-[(2-sulfonatophenyl)amino]phenyl}{4-[(2-sulfonatophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methyl)benzenesulfonate",[H+].[Na+].[Na+].[O-]S(=O)(=O)c5ccccc5Nc1ccc(cc1)C(c2cccc(c2CN)S([O-])(=O)=O)=C\\3/C=C\\C(/C=C/3)=N\\c4ccccc4S([O-])(=O)=O,[H+].[Na+].[Na+].[O-]S(=O)(=O)c5ccccc5Nc1ccc(cc1)C(c2cccc(c2CN)S([O-])(=O)=O)=C\3/C=C\C(/C=C/3)=N\c4ccccc4S([O-])(=O)=O,"InChI=1/C32H27N3O9S3.2Na.H2/c33-20-26-25(6-5-11-29(26)45(36,37)38)32(21-12-16-23(17-13-21)34-27-7-1-3-9-30(27)46(39,40)41)22-14-18-24(19-15-22)35-28-8-2-4-10-31(28)47(42,43)44;;;/h1-19,34H,20,33H2,(H,36,37,38)(H,39,40,41)(H,42,43,44);;;1H/q;3*+1/p-3",C32H27N3O9S3.2Na,,,,,,WJHQBPPQVMBLSW-UHFFFAOYSA-L,,,,,,,,,,,
100.044.637,249-117-0,28633-45-6,"Citric acid, iron(3+) salt",iron(3+) citrate,[Fe+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Fe+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",C6H8O7.xFe,,,,,,NPFOYSMITVOQOS-UHFFFAOYSA-K,,,,,,,,,,,
100.044.643,249-123-3,28652-54-2,Ethynylcyclohexan-1-ol,1-ethynylcyclohexanol,OC1(CCCCC1)C#C,OC1(CCCCC1)C#C,"InChI=1/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2",C8H12O,,,,,,QYLFHLNFIHBCPR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.834,222-917-7,3663-23-8,"4-butylbenzene-1,2-diamine","4-butylbenzene-1,2-diamine",CCCCc1ccc(N)c(N)c1,CCCCc1ccc(N)c(N)c1,"InChI=1/C10H16N2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,11-12H2,1H3",C10H16N2,,,,,,WQEGHHLKDKIWKM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.838,222-921-9,3663-82-9,"1,4-benzodioxane-2-methanol","2,3-dihydro-1,4-benzodioxin-2-ylmethanol",OCC1COc2ccccc2O1,OCC1COc2ccccc2O1,"InChI=1/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2",C9H10O3,,,,,,GWQOQQVKVOOHTI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.840,222-924-5,3663-99-8,[3-(decylthio)-2-hydroxypropyl]trimethylammonium p-toluenesulphonate,"3-(decylsulfanyl)-2-hydroxy-N,N,N-trimethylpropan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCSCC(O)C[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCSCC(O)C[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C16H36NOS.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h16,18H,5-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C16H36NOS.C7H7O3S,,,,,,KZNJUWRBNCQTPW-UHFFFAOYSA-M,,,,,,,,,,,
100.020.842,222-926-6,3665-51-8,3-hydroxynaphthalene-2-carboxamide,3-hydroxy-2-naphthamide,NC(=O)c1cc2ccccc2cc1O,NC(=O)c1cc2ccccc2cc1O,"InChI=1/C11H9NO2/c12-11(14)9-5-7-3-1-2-4-8(7)6-10(9)13/h1-6,13H,(H2,12,14)",C11H9NO2,,,,,,NFTNTGFZYSCPSK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.844,222-928-7,3666-79-3,Methyl 3-(acetoxy)-2-butenoate,methyl 3-acetoxybut-2-enoate,O=C(C)OC(C)=CC(=O)OC,O=C(C)OC(C)=CC(=O)OC,"InChI=1/C7H10O4/c1-5(11-6(2)8)4-7(9)10-3/h4H,1-3H3",C7H10O4,,,,,,DEJKBQLJBNGQIU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.845,222-929-2,3666-84-0,Methyl 2-acetyl-2-allylpent-4-ene-1-oate,methyl 2-acetyl-2-allylpent-4-enoate,COC(=O)C(CC=C)(CC=C)C(=O)C,COC(=O)C(CC=C)(CC=C)C(=O)C,"InChI=1/C11H16O3/c1-5-7-11(8-6-2,9(3)12)10(13)14-4/h5-6H,1-2,7-8H2,3-4H3",C11H16O3,,,,,,XUTUUQIIEPJMJI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.846,222-930-8,3668-43-7,"trans-cyclobutane-1,2-dicarbonyl chloride","cyclobutane-1,2-dicarbonyl dichloride",ClC(=O)C1CCC1C(=O)Cl,ClC(=O)C1CCC1C(=O)Cl,"InChI=1/C6H6Cl2O2/c7-5(9)3-1-2-4(3)6(8)10/h3-4H,1-2H2",C6H6Cl2O2,,,,,,UKHMRFDNOROHOX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.847,222-931-3,1/02/3669,"1,1,3,3-tetrabutyl-1,3-bis[(1-oxododecyl)oxy]distannoxane","1,1,3,3-tetrabutyl-1,3-bis(dodecanoyloxy)distannoxane",CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-4-2;;;/h2*2-11H2,1H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC40H82O5Sn2/c1-7-13-19-21-23-25-27-29-31-33-39(41)43-46(35-15-9-3,36-16-10-4)45-47(37-17-11-5,38-18-12-6)44-40(42)34-32-30-28-26-24-22-20-14-8-2/h7-38H2,1-6H3",C40H82O5Sn2,,,,,,DMTINRVJBGOLMJ-UHFFFAOYSA-L,,,,,,,,,,,
100.020.850,222-935-5,4/05/3671,Fenocinol,"1-(2,4-dimethoxyphenyl)-1-phenylethanol",COc1ccc(c(OC)c1)C(C)(O)c2ccccc2,COc1ccc(c(OC)c1)C(C)(O)c2ccccc2,"InChI=1/C16H18O3/c1-16(17,12-7-5-4-6-8-12)14-10-9-13(18-2)11-15(14)19-3/h4-11,17H,1-3H3",C16H18O3,,,,,,WQFUGXLJDDEHRM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.852,222-937-6,3671-72-5,Amicarbalide isetionate,2-[({3-[({3-[(2-sulfoethoxy)amino]phenyl}carbamoyl)amino]phenyl}amino)oxy]ethanesulfonic acid (non-preferred name),OS(=O)(=O)CCONc1cccc(NC(=O)Nc2cccc(NOCCS(=O)(=O)O)c2)c1,OS(=O)(=O)CCONc1cccc(NC(=O)Nc2cccc(NOCCS(=O)(=O)O)c2)c1,"InChI=1/C17H22N4O9S2/c22-17(18-13-3-1-5-15(11-13)20-29-7-9-31(23,24)25)19-14-4-2-6-16(12-14)21-30-8-10-32(26,27)28/h1-6,11-12,20-21H,7-10H2,(H2,18,19,22)(H,23,24,25)(H,26,27,28)",C15H16N6O.2C2H6O4S,,,,,,DDPYJSIKRQSXJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.684,222-752-0,3599-58-4,"(2-hydroxyethyl)ammonium (o,p-dichlorophenoxy)acetate","2-hydroxyethanaminium (2,4-dichlorophenoxy)acetate",[NH3+]CCO.[O-]C(=O)COc1ccc(Cl)cc1Cl,[NH3+]CCO.[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.C2H7NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;3-1-2-4/h1-3H,4H2,(H,11,12);4H,1-3H2",C8H6Cl2O3.C2H7NO,,,,,,LWEGPOVUIQAHBP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.699,222-768-8,3605-82-1,1-tert-butoxy-3-methyl-3-buten-2-ol,1-tert-butoxy-3-methylbut-3-en-2-ol,CC(=C)C(O)COC(C)(C)C,CC(=C)C(O)COC(C)(C)C,"InChI=1/C9H18O2/c1-7(2)8(10)6-11-9(3,4)5/h8,10H,1,6H2,2-5H3",C9H18O2,,,,,,VJPAQMNQYGXQOW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.701,222-770-9,3607-17-8,Bromo(3-bromopropyl)triphenylphosphorus,bromo(3-bromopropyl)triphenylphosphorane,BrCCCP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,BrCCCP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H21Br2P/c22-17-10-18-24(23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2",C21H21BrP.Br,,,,,,NJRKPKTXYKPQII-UHFFFAOYSA-N,,,,,,,,,,,
100.020.708,222-778-2,3610-36-4,2-(2-aminoethyl)-5-methoxyindole,2-(5-methoxy-1H-indol-2-yl)ethanamine,COc1ccc2[nH]c(CCN)cc2c1,COc1ccc2[nH]c(CCN)cc2c1,"InChI=1/C11H14N2O/c1-14-10-2-3-11-8(7-10)6-9(13-11)4-5-12/h2-3,6-7,13H,4-5,12H2,1H3",C11H14N2O,,,,,,XWWMJXAFEKOGFK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.714,219-485-7,2444-49-7,Diallyl tetrasulphide,diallyltetrasulfane,C=CCSSSSCC=C,C=CCSSSSCC=C,"InChI=1/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2",C6H10S4,,,,,,RMKCQUWJDRTEHE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.718,219-489-9,2445-53-6,Methylsilanetriol,methylsilanetriol,C[Si](O)(O)O,C[Si](O)(O)O,"InChI=1/CH6O3Si/c1-5(2,3)4/h2-4H,1H3",CH6O3Si,,,,,,ZJBHFQKJEBGFNL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.731,219-503-3,2447-54-3,Sanguinarine,"13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium",C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14,C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14,"InChI=1/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1",C20H14NO4,,,,,,INVGWHRKADIJHF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.735,219-508-0,2449-05-0,Dibenzyl azodicarboxylate,"dibenzyl diazene-1,2-dicarboxylate",O=C(OCc1ccccc1)N=NC(=O)OCc2ccccc2,O=C(OCc1ccccc1)N=NC(=O)OCc2ccccc2,"InChI=1/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C16H14N2O4,,,,,,IRJKSAIGIYODAN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.736,219-509-6,7/10/2449,Dihexyl sebacate,dihexyl sebacate,CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC,CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC,"InChI=1/C22H42O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h3-20H2,1-2H3",C22H42O4,,,,,,GQIDSVPVVYHXAP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.742,219-515-9,2451-79-8,"Tetrabutyl benzene-1,2,4,5-tetracarboxylate","tetrabutyl benzene-1,2,4,5-tetracarboxylate",CCCCOC(=O)c1cc(C(=O)OCCCC)c(cc1C(=O)OCCCC)C(=O)OCCCC,CCCCOC(=O)c1cc(C(=O)OCCCC)c(cc1C(=O)OCCCC)C(=O)OCCCC,"InChI=1/C26H38O8/c1-5-9-13-31-23(27)19-17-21(25(29)33-15-11-7-3)22(26(30)34-16-12-8-4)18-20(19)24(28)32-14-10-6-2/h17-18H,5-16H2,1-4H3",C26H38O8,,,,,,REPPSPNSOPYUCD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.748,219-522-7,2453-46-5,Chlorocycloheptane,chlorocycloheptane,ClC1CCCCCC1,ClC1CCCCCC1,"InChI=1/C7H13Cl/c8-7-5-3-1-2-4-6-7/h7H,1-6H2",C7H13Cl,,,,,,KMJSGLZXFNSANB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.749,219-523-2,7/11/2454,Formebolone,"11,17-dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carbaldehyde",C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C=O,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C=O,"InChI=1/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3",C21H28O4,,,,,,AMVODTGMYSRMNP-GNIMZFFESA-N,,,,,,,,,,,
100.019.258,221-183-5,3025-78-3,N-ethyl-N-[p-[(p-nitrophenyl)azo]phenyl]benzylamine,N-benzyl-N-ethyl-4-[(4-nitrophenyl)diazenyl]aniline,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(Cc2ccccc2)CC)cc3,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(Cc2ccccc2)CC)cc3,"InChI=1/C21H20N4O2/c1-2-24(16-17-6-4-3-5-7-17)20-12-8-18(9-13-20)22-23-19-10-14-21(15-11-19)25(26)27/h3-15H,2,16H2,1H3",C21H20N4O2,,,,,,UTUZCERLQWINGV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.260,221-185-6,3025-95-4,N-acetyl-ß-alanine,N-acetyl-beta-alanine,CC(=O)NCCC(=O)O,CC(=O)NCCC(=O)O,"InChI=1/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)",C5H9NO3,,,,,,LJLLAWRMBZNPMO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.464,217-010-8,1719-88-6,"3,3',4,4',5,5'-hexamethoxybenzoic anhydride","3,4,5-trimethoxybenzoic anhydride",COc1cc(cc(OC)c1OC)C(=O)OC(=O)c2cc(OC)c(OC)c(OC)c2,COc1cc(cc(OC)c1OC)C(=O)OC(=O)c2cc(OC)c(OC)c(OC)c2,"InChI=1/C20H22O9/c1-23-13-7-11(8-14(24-2)17(13)27-5)19(21)29-20(22)12-9-15(25-3)18(28-6)16(10-12)26-4/h7-10H,1-6H3",C20H22O9,,,,,,LQJFTZJNDJDCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.466,217-012-9,1720-38-3,"Deca-1,9-diyne","deca-1,9-diyne",C#CCCCCCCC#C,C#CCCCCCCC#C,"InChI=1/C10H14/c1-3-5-7-9-10-8-6-4-2/h1-2H,5-10H2",C10H14,,,,,,ILVDYAGPHFWNQI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.945,227-439-2,5847-57-4,"2,5-dichloro-4-nitrophenol","2,5-dichloro-4-nitrophenol",Oc1cc(Cl)c(cc1Cl)[N+](=O)[O-],Oc1cc(Cl)c(cc1Cl)[N+](=O)[O-],"InChI=1/C6H3Cl2NO3/c7-3-2-6(10)4(8)1-5(3)9(11)12/h1-2,10H",C6H3Cl2NO3,,,,,,BWQWBOCFVUBGEF-UHFFFAOYSA-N,,,,,,,,,,,
100.024.949,227-443-4,5/05/5850,"Disodium 4,4'-[(4,6-diamino-1,3-phenylene)bis(azo)]bisnaphthalene-1-sulphonate","disodium 4,4'-[(4,6-diamino-1,3-phenylene)didiazene-2,1-diyl]dinaphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc3cc(N=Nc1ccc(c2ccccc12)S([O-])(=O)=O)c(N)cc3N)c4ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc3cc(N=Nc1ccc(c2ccccc12)S([O-])(=O)=O)c(N)cc3N)c4ccccc45,"InChI=1/C26H20N6O6S2.2Na/c27-19-13-20(28)24(32-30-22-10-12-26(40(36,37)38)18-8-4-2-6-16(18)22)14-23(19)31-29-21-9-11-25(39(33,34)35)17-7-3-1-5-15(17)21;;/h1-14H,27-28H2,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C26H20N6O6S2.2Na,,,,,,UZAJXKAPLQJTPL-UHFFFAOYSA-L,,,,,,,,,,,
100.024.953,227-448-1,5850-34-0,"Disodium 4-amino-3-[(2,5-dichlorophenyl)azo]-5-hydroxy-6-(1-naphthylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-[(2,5-dichlorophenyl)diazenyl]-5-hydroxy-6-(1-naphthyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Clc5ccc(Cl)cc5N=Nc4c(cc3cc(c(N=Nc2cccc1ccccc12)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Clc5ccc(Cl)cc5N=Nc4c(cc3cc(c(N=Nc2cccc1ccccc12)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C26H17Cl2N5O7S2.2Na/c27-15-8-9-17(28)19(12-15)31-32-24-20(41(35,36)37)10-14-11-21(42(38,39)40)25(26(34)22(14)23(24)29)33-30-18-7-3-5-13-4-1-2-6-16(13)18;;/h1-12,34H,29H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C26H17Cl2N5O7S2.2Na,,,,,,BYWVACHIPYZWAP-UHFFFAOYSA-L,,,,,,,,,,,
100.024.959,227-454-4,5850-44-2,"Tetrasodium 7-hydroxy-8-[(4-sulphonato-1-naphthyl)azo]naphthalene-1,3,6-trisulphonate","tetrasodium 7-hydroxy-8-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1c2c(cc(c1O)S([O-])(=O)=O)cc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1c2c(cc(c1O)S([O-])(=O)=O)cc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34,"InChI=1/C20H14N2O13S4.4Na/c23-20-17(39(33,34)35)8-10-7-11(36(24,25)26)9-16(38(30,31)32)18(10)19(20)22-21-14-5-6-15(37(27,28)29)13-4-2-1-3-12(13)14;;;;/h1-9,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;/q;4*+1/p-4",C20H14N2O13S4.4Na,,,,,,FUSRXDHHILMBIG-UHFFFAOYSA-J,,,,,,,,,,,
100.024.960,227-456-5,5850-80-6,Calcium disodium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]-4-sulphonatobenzoate],calcium disodium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]-4-sulphonatobenzoate],[Ca+2].[Na+].[Na+].O=C([O-])c3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(cc3N=Nc1c2ccccc2ccc1O)C([O-])=O,[Ca+2].[Na+].[Na+].O=C([O-])c3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(cc3N=Nc1c2ccccc2ccc1O)C([O-])=O,"InChI=1/2C17H11ClN2O6S.Ca.2Na/c2*18-12-8-15(27(24,25)26)13(7-11(12)17(22)23)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;;;/h2*1-8,21H,(H,22,23)(H,24,25,26);;;/q;;+2;2*+1/p-4",C17H11ClN2O6S.1/2Ca.Na,,,,,,QDORUQCHIMQWMJ-UHFFFAOYSA-J,,,,,,,,,,,
100.024.961,227-457-0,5850-81-7,"Sodium 4,5-dichloro-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate","sodium 4,5-dichloro-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate",[Na+].Clc1cc(c(cc1Cl)N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O,[Na+].Clc1cc(c(cc1Cl)N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O,"InChI=1/C16H10Cl2N2O4S.Na/c17-11-7-13(15(8-12(11)18)25(22,23)24)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;/h1-8,21H,(H,22,23,24);/q;+1/p-1",C16H10Cl2N2O4S.Na,,,,,,MIGUTGWZHPZBNM-UHFFFAOYSA-M,,,,,,,,,,,
100.024.964,227-460-7,5850-93-1,Sodium 5-[(2-hydroxynaphthyl)azo]naphthalenesulphonate,sodium 5-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c4cccc3c4cccc3N=Nc1c2ccccc2ccc1O,[Na+].[O-]S(=O)(=O)c4cccc3c4cccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C20H14N2O4S.Na/c23-18-12-11-13-5-1-2-6-14(13)20(18)22-21-17-9-3-8-16-15(17)7-4-10-19(16)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1",C20H14N2O4S.Na,,,,,,XNQZZTFTKVKXOR-UHFFFAOYSA-M,,,,,,,,,,,
100.024.970,227-467-5,5855-70-9,"2,2'-dichloro-5,5'-dimethoxybenzidine","2,2'-dichloro-5,5'-dimethoxybiphenyl-4,4'-diamine",COc1cc(c(Cl)cc1N)c2cc(OC)c(N)cc2Cl,COc1cc(c(Cl)cc1N)c2cc(OC)c(N)cc2Cl,"InChI=1/C14H14Cl2N2O2/c1-19-13-3-7(9(15)5-11(13)17)8-4-14(20-2)12(18)6-10(8)16/h3-6H,17-18H2,1-2H3",C14H14Cl2N2O2,,,,,,NRLUQVLHGAVXQB-UHFFFAOYSA-N,,,,,,,,,,,
100.024.973,227-470-1,5855-97-0,"2-(4-aminophenyl)-6-methyl[2,6'-bibenzothiazole]-7-sulphonic acid","2-(4-aminophenyl)-6-methyl-2,3-dihydro-2,6'-bi-1,3-benzothiazole-7-sulfonic acid",Cc1ccc2NC(Sc2c1S(=O)(=O)O)(c3ccc(N)cc3)c4ccc5ncsc5c4,Cc1ccc2NC(Sc2c1S(=O)(=O)O)(c3ccc(N)cc3)c4ccc5ncsc5c4,"InChI=1/C21H17N3O3S3/c1-12-2-8-17-19(20(12)30(25,26)27)29-21(24-17,13-3-6-15(22)7-4-13)14-5-9-16-18(10-14)28-11-23-16/h2-11,24H,22H2,1H3,(H,25,26,27)",C21H15N3O3S3,,,,,,AJSGAADDOLBZEN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.976,227-473-8,5856-00-8,N-(4-amino-m-tolyl)-N-ethylbenzamide,N-(4-amino-3-methylphenyl)-N-ethylbenzamide,CCN(C(=O)c1ccccc1)c2ccc(N)c(C)c2,CCN(C(=O)c1ccccc1)c2ccc(N)c(C)c2,"InChI=1/C16H18N2O/c1-3-18(14-9-10-15(17)12(2)11-14)16(19)13-7-5-4-6-8-13/h4-11H,3,17H2,1-2H3",C16H18N2O,,,,,,SLYCISKABFIZAT-UHFFFAOYSA-N,,,,,,,,,,,
100.028.565,231-420-4,3/12/7542,"Carbonic acid, sodium salt",sodium hydrogen carbonate,[Na+].OC(=O)[O-],[Na+].OC(=O)[O-],"InChI=1/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",CH2O3.xNa,,,,,,UIIMBOGNXHQVGW-UHFFFAOYSA-M,,,,,,,,,,,
100.019.251,221-175-1,3024-56-4,3-ethyl-5-[2-(3-ethyl-(3H)-benzothiazol-2-ylidene)-1-methylethylidene]-2-thioxooxazolidine-4-one,"3-ethyl-5-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1-methylethylidene]-2-thioxo-1,3-oxazolidin-4-one",CCN1C(=S)OC(=C(C)C=C2Sc3ccccc3N2CC)C1=O,CCN1C(=S)OC(=C(C)C=C2Sc3ccccc3N2CC)C1=O,"InChI=1/C17H18N2O2S2/c1-4-18-12-8-6-7-9-13(12)23-14(18)10-11(3)15-16(20)19(5-2)17(22)21-15/h6-10H,4-5H2,1-3H3",C17H18N2O2S2,,,,,,OCWJMGGWBJHHFP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.253,221-177-2,3024-72-4,"3,4-dichlorobenzoyl chloride","3,4-dichlorobenzoyl chloride",ClC(=O)c1ccc(Cl)c(Cl)c1,ClC(=O)c1ccc(Cl)c(Cl)c1,InChI=1/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,C7H3Cl3O,,,,,,VTXNOVCTHUBABW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.256,221-180-9,3025-52-3,"N,N-diethyl-4-[(4-nitrophenyl)azo]aniline","N,N-diethyl-4-[(4-nitrophenyl)diazenyl]aniline",[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CC)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CC)cc2,"InChI=1/C16H18N4O2/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20(21)22/h5-12H,3-4H2,1-2H3",C16H18N4O2,,,,,,LVQIWDUSUJTZJF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.257,221-181-4,3025-77-2,1-[(4-nitrophenyl)azo]naphthalen-2-amine,1-[(4-nitrophenyl)diazenyl]naphthalen-2-amine,[O-][N+](=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2N,[O-][N+](=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2N,"InChI=1/C16H12N4O2/c17-15-10-5-11-3-1-2-4-14(11)16(15)19-18-12-6-8-13(9-7-12)20(21)22/h1-10H,17H2",C16H12N4O2,,,,,,VERRKUAVICFWGH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.465,217-011-3,1720-32-7,"1,6-diphenylhexa-1,3,5-triene","1,1'-hexa-1,3,5-triene-1,6-diyldibenzene",C(C=Cc1ccccc1)=CC=Cc2ccccc2,C(C=Cc1ccccc1)=CC=Cc2ccccc2,InChI=1/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H,C18H16,,,,,,BOBLSBAZCVBABY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.469,217-016-0,1721-89-7,"2,3-dimethylquinoline","2,3-dimethylquinoline",Cc1cc2ccccc2nc1C,Cc1cc2ccccc2nc1C,"InChI=1/C11H11N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-7H,1-2H3",C11H11N,,,,,,FBOFHVFMPNNIKN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.476,217-023-9,1722-62-9,Mepivacaine hydrochloride,"N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride",Cl.CN1CCCCC1C(=O)Nc2c(C)cccc2C,Cl.CN1CCCCC1C(=O)Nc2c(C)cccc2C,"InChI=1/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H",C15H22N2O.ClH,,,,,,RETIMRUQNCDCQB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.478,217-026-5,1723-94-0,"4,4'-(ethane-1,2-diyl)bismorpholine","4,4'-ethane-1,2-diyldimorpholine",C(CN1CCOCC1)N2CCOCC2,C(CN1CCOCC1)N2CCOCC2,InChI=1/C10H20N2O2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H2,C10H20N2O2,,,,,,QRQKCMFVJWNKQI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.483,217-031-2,1724-39-6,Cyclododecanol,cyclododecanol,OC1CCCCCCCCCCC1,OC1CCCCCCCCCCC1,"InChI=1/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2",C12H24O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11500,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.483,SFVWPXMPRCIVOK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.486,217-034-9,1725-03-7,Oxacyclododecan-2-one,oxacyclododecan-2-one,O=C1CCCCCCCCCCO1,O=C1CCCCCCCCCCO1,InChI=1/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2,C11H20O2,,,,,,MVOSYKNQRRHGKX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.490,217-039-6,1726-65-4,Trihexadecylaluminium,trihexadecylaluminum,CCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC,"InChI=1/3C16H33.Al/c3*1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h3*1,3-16H2,2H3;/rC48H99Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49(47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3",C48H99Al,,,,,,NHADXUOUFVKVEB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.497,217-046-4,1730-25-2,Allylmagnesium bromide,allylmagnesium(1+) bromide,[Br-].[Mg+]CC=C,[Br-].[Mg+]CC=C,"InChI=1/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1/rC3H5Mg.BrH/c1-2-3-4;/h2H,1,3H2;1H/q+1;/p-1",C3H5BrMg,,,,,,FEMBXICCJNZMMC-UHFFFAOYSA-M,,,,,,,,,,,
100.015.632,217-195-5,1771-18-2,Methyl phenothiazin-2-yl ether,2-methoxy-10H-phenothiazine,COc1ccc2Sc3ccccc3Nc2c1,COc1ccc2Sc3ccccc3Nc2c1,"InChI=1/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3",C13H11NOS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18877,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.632,DLYKFPHPBCTAKD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.507,248-974-8,28334-99-8,"3,5-dipropoxyphenol","3,5-dipropoxyphenol",CCCOc1cc(O)cc(OCCC)c1,CCCOc1cc(O)cc(OCCC)c1,"InChI=1/C12H18O3/c1-3-5-14-11-7-10(13)8-12(9-11)15-6-4-2/h7-9,13H,3-6H2,1-2H3",C12H18O3,,,,,,SHZCHGMKOUMNAW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.512,248-980-0,28343-58-0,Heptadecyl acrylate,heptadecyl acrylate,CCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(21)4-2/h4H,2-3,5-19H2,1H3",C20H38O2,,,,,,KVILQFSLJDTWPU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.515,248-983-7,28348-53-0,Sodium cumenesulphonate,sodium 2-phenylpropane-2-sulfonate,[Na+].O=S([O-])(=O)C(C)(C)c1ccccc1,[Na+].O=S([O-])(=O)C(C)(C)c1ccccc1,"InChI=1/C9H12O3S.Na/c1-9(2,13(10,11)12)8-6-4-3-5-7-8;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1",C9H12O3S.Na,,,,,,WWDDQHGPHSVUHS-UHFFFAOYSA-M,,,,,,,,,,,
100.044.521,248-990-5,28356-58-3,Pyridine-4-acetic acid,pyridin-4-ylacetic acid,OC(=O)Cc1ccncc1,OC(=O)Cc1ccncc1,"InChI=1/C7H7NO2/c9-7(10)5-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)",C7H7NO2,,,,,,PAEXAIBDCHBNDC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.854,222-939-7,4/06/3674,"tert-butyl (S)-[1-benzyl-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]carbamate","2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)-L-phenylalaninate",CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)ON2C(=O)CCC2=O,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)ON2C(=O)CCC2=O,"InChI=1/C18H22N2O6/c1-18(2,3)25-17(24)19-13(11-12-7-5-4-6-8-12)16(23)26-20-14(21)9-10-15(20)22/h4-8,13H,9-11H2,1-3H3,(H,19,24)",C18H22N2O6,,,,,,NHUCANAMPJGMQL-ZDUSSCGKSA-N,,,,,,,,,,,
100.022.375,224-611-9,4427-56-9,2-isopropyl-p-cresol,2-isopropyl-4-methylphenol,CC(C)c1cc(C)ccc1O,CC(C)c1cc(C)ccc1O,"InChI=1/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3",C10H14O,,,,,,DSTPUJAJSXTJHM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.141,216-654-7,1634-72-6,2-ethyl-2-(hydroxymethyl)butyraldehyde,2-ethyl-2-(hydroxymethyl)butanal,CCC(CC)(CO)C=O,CCC(CC)(CO)C=O,"InChI=1/C7H14O2/c1-3-7(4-2,5-8)6-9/h5,9H,3-4,6H2,1-2H3",C7H14O2,,,,,,RCQAUUCWIIQGEP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.150,216-664-1,1636-27-7,Dipropylmalonic acid,dipropylmalonic acid,CCCC(CCC)(C(=O)O)C(=O)O,CCCC(CCC)(C(=O)O)C(=O)O,"InChI=1/C9H16O4/c1-3-5-9(6-4-2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)",C9H16O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6546,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.150,DIRSQLKNZQKDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.156,216-670-4,1638-16-0,"1,1'-(propylenedioxy)dipropan-2-ol","1,1'-[propane-1,2-diylbis(oxy)]dipropan-2-ol",CC(O)COCC(C)OCC(C)O,CC(O)COCC(C)OCC(C)O,"InChI=1/C9H20O4/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-11H,4-6H2,1-3H3",C9H20O4,,,,,,LEQCJROTXBYLEU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.161,216-676-7,1638-86-4,Diethyl phenylphosphonite,diethyl phenylphosphonite,CCOP(OCC)c1ccccc1,CCOP(OCC)c1ccccc1,"InChI=1/C10H15O2P/c1-3-11-13(12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C10H15O2P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12512,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.161,RVDJLKVICMLVJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.168,216-684-0,1639-66-3,Sodium dioctyl sulfosuccinate,"sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate",[Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],[Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],"InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1",C20H38O7S.Na,,,,,,APSBXTVYXVQYAB-UHFFFAOYSA-M,,,,,,,,,,,
100.015.179,216-696-6,1642-54-2,Diethylcarbamazine dihydrogen citrate,"N,N-diethyl-4-methylpiperazine-1-carboxamide 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCN(CC)C(=O)N1CCN(C)CC1.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCN(CC)C(=O)N1CCN(C)CC1.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C10H21N3O.C6H8O7,,,,,,PGNKBEARDDELNB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.141,243-072-0,19438-60-9,Hexahydro-4-methylphthalic anhydride,"5-methylhexahydro-2-benzofuran-1,3-dione",CC1CCC2C(C1)C(=O)OC2=O,CC1CCC2C(C1)C(=O)OC2=O,"InChI=1/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3",C9H12O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13532,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.141,FKBMTBAXDISZGN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.145,243-076-2,19449-32-2,"N,N-dimethyl-1,3-dioxan-2-amine","N,N-dimethyl-1,3-dioxan-2-amine",CN(C)C1OCCCO1,CN(C)C1OCCCO1,"InChI=1/C6H13NO2/c1-7(2)6-8-4-3-5-9-6/h6H,3-5H2,1-2H3",C6H13NO2,,,,,,SSGCBTSVDLLNIP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.146,243-077-8,19455-20-0,Potassium isobutyrate,potassium 2-methylpropanoate,[K+].CC(C)C(=O)[O-],[K+].CC(C)C(=O)[O-],"InChI=1/C4H8O2.K/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1",C4H8O2.K,,,,,,LBOHISOWGKIIKX-UHFFFAOYSA-M,,,,,,,,,,,
100.039.147,243-078-3,19455-21-1,Potassium valerate,potassium valerate,[K+].CCCCC(=O)[O-],[K+].CCCCC(=O)[O-],"InChI=1/C5H10O2.K/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1",C5H10O2.K,,,,,,OPCDHYPGIGFJGH-UHFFFAOYSA-M,,,,,,,,,,,
100.039.149,243-080-4,19461-22-4,(N-(5-dimethylaminonaphthalene-1-sulphonyl)glycyl)tryptophan,N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}glycyltryptophan,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O,"InChI=1/C25H26N4O5S/c1-29(2)22-11-5-9-19-18(22)8-6-12-23(19)35(33,34)27-15-24(30)28-21(25(31)32)13-16-14-26-20-10-4-3-7-17(16)20/h3-12,14,21,26-27H,13,15H2,1-2H3,(H,28,30)(H,31,32)",C25H26N4O5S,,,,,,IXTSSRFZPQPHIE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.150,243-082-5,19461-34-8,cis-4-tert-butylcyclohexylmethyl acetate,(4-tert-butylcyclohexyl)methyl acetate,CC(=O)OCC1CCC(CC1)C(C)(C)C,CC(=O)OCC1CCC(CC1)C(C)(C)C,"InChI=1/C13H24O2/c1-10(14)15-9-11-5-7-12(8-6-11)13(2,3)4/h11-12H,5-9H2,1-4H3",C13H24O2,,,,,,WKUHCAGBLASMGF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.154,243-086-7,19463-48-0,3-chlorovanillin,3-chloro-4-hydroxy-5-methoxybenzaldehyde,Oc1c(OC)cc(cc1Cl)C=O,Oc1c(OC)cc(cc1Cl)C=O,"InChI=1/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3",C8H7ClO3,,,,,,ONIVKFDMLVBDRK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.159,243-091-4,19472-74-3,(2-bromophenyl)acetonitrile,(2-bromophenyl)acetonitrile,Brc1ccccc1CC#N,Brc1ccccc1CC#N,"InChI=1/C8H6BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2",C8H6BrN,,,,,,BVCOJESIQPNOIF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.163,243-096-1,19475-27-5,"N'-ethyl-N,N-dimethylpropane-1,3-diamine","N'-ethyl-N,N-dimethylpropane-1,3-diamine",CCNCCCN(C)C,CCNCCCN(C)C,"InChI=1/C7H18N2/c1-4-8-6-5-7-9(2)3/h8H,4-7H2,1-3H3",C7H18N2,,,,,,DZHCTHQUBIPMKS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.468,217-015-5,1721-69-3,"Lup-20(29)-ene-3,28-diol, diacetate, (3ß)-","lup-20(29)-ene-3,28-diyl diacetate",CC(=O)OCC12CCC(C1C3CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC2)C(=C)C,CC(=O)OCC12CCC(C1C3CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC2)C(=C)C,"InChI=1/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3",C34H54O4,,,,,,MIROITGPMGDCGI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.471,217-018-1,1721-94-4,"1,3-dimethylisoquinoline","1,3-dimethylisoquinoline",Cc1cc2ccccc2c(C)n1,Cc1cc2ccccc2c(C)n1,"InChI=1/C11H11N/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-7H,1-2H3",C11H11N,,,,,,SNQSGKQEGKHJCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.472,217-019-7,1722-10-7,3-chloro-6-methoxypyridazine,3-chloro-6-methoxypyridazine,COc1ccc(Cl)nn1,COc1ccc(Cl)nn1,"InChI=1/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3",C5H5ClN2O,,,,,,XBJLKXOOHLLTPG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.479,217-027-0,1724-02-3,"Pent-2-ene-1,5-dioic acid",pent-2-enedioic acid,OC(=O)CC=CC(O)=O,OC(=O)CC=CC(O)=O,"InChI=1/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)",C5H6O4,,,,,,XVOUMQNXTGKGMA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.481,217-029-1,1724-17-0,Methyl (3ß)-3-hydroxyolean-12-en-28-oate,methyl 3-hydroxyolean-12-en-28-oate,COC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2,COC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2,"InChI=1/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3",C31H50O3,,,,,,BTXWOKJOAGWCSN-JBYJGCOVSA-N,,,,,,,,,,,
100.015.482,217-030-7,1724-30-7,"2,2,6,6-tetrachloro-1-hydroxycyclohexanecarboxamide","2,2,6,6-tetrachloro-1-hydroxycyclohexanecarboxamide",NC(=O)C1(O)C(Cl)(Cl)CCCC1(Cl)Cl,NC(=O)C1(O)C(Cl)(Cl)CCCC1(Cl)Cl,"InChI=1/C7H9Cl4NO2/c8-5(9)2-1-3-6(10,11)7(5,14)4(12)13/h14H,1-3H2,(H2,12,13)",C7H9Cl4NO2,,,,,,RVKIWQKIIQDAJP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.499,217-049-0,1730-48-9,"Methyl 1,2,3,4-tetrahydro-6-naphthyl ether","6-methoxy-1,2,3,4-tetrahydronaphthalene",COc1ccc2CCCCc2c1,COc1ccc2CCCCc2c1,"InChI=1/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3",C11H14O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16487,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.499,SUFDFKRJYKNTFH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.629,217-191-3,1769-52-4,"2,3-dihydro-1H-phosphole","2,3-dihydro-1H-phosphole",C1CC=CP1,C1CC=CP1,"InChI=1/C4H7P/c1-2-4-5-3-1/h1,3,5H,2,4H2",C4H7P,,,,,,BESIKFZDYUEIPV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.635,217-198-1,1772-03-8,Galactosamine hydrochloride,2-amino-2-deoxy-D-galactopyranose hydrochloride,Cl.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O,Cl.N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O,"InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H",C6H13NO5.ClH,,,,,,QKPLRMLTKYXDST-BMZZJELJSA-N,,,,,,,,,,,
100.044.509,248-976-9,28336-80-3,"4-[3-[4-(dimethylamino)phenyl]allylidene]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid","4-{3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid",CN(C)c1ccc(C=CC=C2C(=O)N(N=C2C(=O)O)c3ccccc3)cc1,CN(C)c1ccc(C=CC=C2C(=O)N(N=C2C(=O)O)c3ccccc3)cc1,"InChI=1/C21H19N3O3/c1-23(2)16-13-11-15(12-14-16)7-6-10-18-19(21(26)27)22-24(20(18)25)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,26,27)",C21H19N3O3,,,,,,NCMCJHVZDVDKIE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.511,248-979-5,28341-67-5,"4,4'-sulphinylbis[2-methylresorcinol]","4,4'-sulfinylbis(2-methylbenzene-1,3-diol)",Cc1c(O)ccc(c1O)S(=O)c2ccc(O)c(C)c2O,Cc1c(O)ccc(c1O)S(=O)c2ccc(O)c(C)c2O,"InChI=1/C14H14O5S/c1-7-9(15)3-5-11(13(7)17)20(19)12-6-4-10(16)8(2)14(12)18/h3-6,15-18H,1-2H3",C14H14O5S,,,,,,LRCGUJDNHJWEOI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.514,248-982-1,28347-13-9,Bis(chloromethyl)benzene,"1,2-bis(chloromethyl)benzene",ClCc1ccccc1CCl,ClCc1ccccc1CCl,"InChI=1/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2",C8H8Cl2,,,,,,FMGGHNGKHRCJLL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.517,248-985-8,28348-61-0,Sodium tetradecylbenzenesulphonate,sodium 2-tetradecylbenzenesulfonate,[Na+].CCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C20H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)24(21,22)23;/h14-15,17-18H,2-13,16H2,1H3,(H,21,22,23);/q;+1/p-1",C20H34O3S.Na,,,,,,ZIGVUIYVPLQEAL-UHFFFAOYSA-M,,,,,,,,,,,
100.044.524,248-993-1,28369-22-4,"Methyl (2E,6Z)-dodeca-2,6-dienoate","methyl dodeca-2,6-dienoate",CCCCC\\C=C/CC\\C=C\\C(=O)OC,CCCCC\C=C/CC\C=C\C(=O)OC,"InChI=1/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3",C13H22O2,,,,,,IYSZVOVZPVKXIJ-OFALOCIGSA-N,,,,,,,,,,,
100.044.525,248-994-7,28369-24-6,"Butyl (2E,4Z)-2,4-decadienoate","butyl deca-2,4-dienoate",CCCCC\\C=C/C=C/C(=O)OCCCC,CCCCC\C=C/C=C/C(=O)OCCCC,"InChI=1/C14H24O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h9-12H,3-8,13H2,1-2H3",C14H24O2,,,,,,UMJOARCRXWBCAQ-XAZJVICWSA-N,,,,,,,,,,,
100.044.528,248-997-3,28380-08-7,"Ethyl (2E,6Z)-dodeca-2,6-dienoate","ethyl dodeca-2,6-dienoate",CCCCC\\C=C/CC\\C=C\\C(=O)OCC,CCCCC\C=C/CC\C=C\C(=O)OCC,"InChI=1/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3",C14H24O2,,,,,,AASSLPGKTZCKLS-YILALFFRSA-N,,,,,,,,,,,
100.044.531,249-000-4,28382-15-2,"1,2-dihydropyridazine-3,6-dione, monopotassium salt",-,[K+].O=C1NNC(=O)C=C1,[K+].O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2.K/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);/q;+1",C4H4N2O2.K,,,,,,ONFPEXMNTHPYGN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.566,231-422-5,7542-23-6,Piperazinium chloride,piperazin-1-ium chloride,[Cl-].C1C[NH2+]CCN1,[Cl-].C1C[NH2+]CCN1,"InChI=1/C4H10N2.ClH/c1-2-6-4-3-5-1;/h5-6H,1-4H2;1H",C4H10N2.ClH,,,,,,MSQACBWWAIBWIC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.575,231-431-4,7547-47-9,[[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]methylene]malononitrile,{4-[(2-cyanoethyl)(ethyl)amino]-2-methylbenzylidene}malononitrile,CCN(CCC#N)c1ccc(C=C(C#N)C#N)c(C)c1,CCN(CCC#N)c1ccc(C=C(C#N)C#N)c(C)c1,"InChI=1/C16H16N4/c1-3-20(8-4-7-17)16-6-5-15(13(2)9-16)10-14(11-18)12-19/h5-6,9-10H,3-4,8H2,1-2H3",C16H16N4,,,,,,DLOOSWBMFRKOIU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.576,231-433-5,7549-33-9,p-methoxybenzyl propionate,4-methoxybenzyl propionate,CCC(=O)OCc1ccc(OC)cc1,CCC(=O)OCc1ccc(OC)cc1,"InChI=1/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3",C11H14O3,,,,,,YWIJRJQYADFRTL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.579,231-436-1,7549-42-0,Calcium hydrogen cyclohexanecarboxylate,-,[Ca+2].[O-]C(=O)C1CCCCC1,[Ca+2].[O-]C(=O)C1CCCCC1,"InChI=1/C7H12O2.Ca/c8-7(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);/q;+2/p-1",C7H12O2.1/2Ca,,,,,,ZFCFAUAUNCWNNX-UHFFFAOYSA-M,,,,,,,,,,,
100.028.587,231-445-0,7554-65-6,4-methylpyrazole,4-methyl-1H-pyrazole,Cc1cn[nH]c1,Cc1cn[nH]c1,"InChI=1/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)",C4H6N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7666,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.587,RIKMMFOAQPJVMX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.588,231-446-6,8/06/7555,Ethyl L-histidinate,ethyl L-histidinate,CCOC(=O)[C@@H](N)Cc1c[nH]cn1,CCOC(=O)[C@@H](N)Cc1c[nH]cn1,"InChI=1/C8H13N3O2/c1-2-13-8(12)7(9)3-6-4-10-5-11-6/h4-5,7H,2-3,9H2,1H3,(H,10,11)",C8H13N3O2,,,,,,ACHWEOLUTJAHLV-ZETCQYMHSA-N,,,,,,,,,,,
100.028.591,231-449-2,7558-80-7,Sodium dihydrogenorthophosphate,sodium dihydrogen phosphate,[Na+].OP(=O)(O)[O-],[Na+].OP(=O)(O)[O-],"InChI=1/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",H3O4P.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15379,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.591,AJPJDKMHJJGVTQ-UHFFFAOYSA-M,,,,,,,,,,,
100.028.593,231-451-3,7560-44-3,Methyl p-chlorocinnamate,methyl 3-(4-chlorophenyl)acrylate,COC(=O)\\C=C\\c1ccc(Cl)cc1,COC(=O)\C=C\c1ccc(Cl)cc1,"InChI=1/C10H9ClO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3",C10H9ClO2,,,,,,IIBXQGYKZKOORG-QPJJXVBHSA-N,,,,,,,,,,,
100.028.605,231-464-4,7564-63-8,2-ethylstyrene,1-ethyl-2-vinylbenzene,CCc1ccccc1C=C,CCc1ccccc1C=C,"InChI=1/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3",C10H12,,,,,,VTPNYMSKBPZSTF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.186,231-004-2,7401-88-9,Glycerol trimethacrylate,"propane-1,2,3-triyl tris(2-methylacrylate)",CC(=C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)C(=C)C,CC(=C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)C(=C)C,"InChI=1/C15H20O6/c1-9(2)13(16)19-7-12(21-15(18)11(5)6)8-20-14(17)10(3)4/h12H,1,3,5,7-8H2,2,4,6H3",C15H20O6,,,,,,NEBBLNDVSSWJLL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.188,231-006-3,7402-61-1,Ethyl cyanocycloheptylideneacetate,ethyl cyano(cycloheptylidene)acetate,CCOC(=O)C(=C1CCCCCC1)C#N,CCOC(=O)C(=C1CCCCCC1)C#N,"InChI=1/C12H17NO2/c1-2-15-12(14)11(9-13)10-7-5-3-4-6-8-10/h2-8H2,1H3",C12H17NO2,,,,,,XMMYBDCCASIJST-UHFFFAOYSA-N,,,,,,,,,,,
100.028.190,231-008-4,7403-46-5,2-chloro-1-methylpyridinium toluene-p-sulphonate,2-chloro-1-methylpyridinium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2ccccc2Cl,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2ccccc2Cl,"InChI=1/C7H8O3S.C6H7ClN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1",C7H7O3S.C6H7ClN,,,,,,KWNGIKVZXFFZNN-UHFFFAOYSA-M,,,,,,,,,,,
100.028.206,231-026-2,7415-69-2,Guanosine 5'-(disodium hydrogen pyrophosphate),"disodium 2-amino-9-(5-O-{[(hydroxyphosphinato)oxy]phosphinato}pentofuranosyl)-1,9-dihydro-6H-purin-6-one",NC1=Nc2c(ncn2C3OC(COP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(COP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O)C(=O)N1,"InChI=1/C10H15N5O11P2.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/rC10H13N5Na2O11P2/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(19)5(18)3(25-9)1-24-30(23,27-17)28-29(21,22)26-16/h2-3,5-6,9,18-19H,1H2,(H,21,22)(H3,11,13,14,20)",C10H15N5O11P2.2Na,,,,,,LTZCGDIGAHOTKN-UHFFFAOYSA-L,,,,,,,,,,,
100.028.208,231-028-3,7416-35-5,"2,2-dimethyl-5-(1-methylpropenyl)tetrahydrofuran","2,2-dimethyl-5-(1-methylprop-1-en-1-yl)tetrahydrofuran",CC1(C)CCC(O1)C(C)=CC,CC1(C)CCC(O1)C(C)=CC,"InChI=1/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3",C10H18O,,,,,,LPEYLSKLVYWOEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.209,231-029-9,7417-18-7,2-methoxyphenethyl alcohol,2-(2-methoxyphenyl)ethanol,COc1ccccc1CCO,COc1ccccc1CCO,"InChI=1/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H3",C9H12O2,,,,,,XLDRDNQLEMMNNH-UHFFFAOYSA-N,,,,,,,,,,,
100.028.211,231-032-5,7417-21-2,"3,4-dimethoxyphenethyl alcohol","2-(3,4-dimethoxyphenyl)ethanol",COc1ccc(CCO)cc1OC,COc1ccc(CCO)cc1OC,"InChI=1/C10H14O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7,11H,5-6H2,1-2H3",C10H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17683,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.211,SRQAJMUHZROVHW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.215,231-036-7,7418-19-1,"2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane","2,2,5,5-tetramethyl-1,2,5-azadisilolidine",C[Si]1(C)CC[Si](C)(C)N1,C[Si]1(C)CC[Si](C)(C)N1,"InChI=1/C6H17NSi2/c1-8(2)5-6-9(3,4)7-8/h7H,5-6H2,1-4H3",C6H17NSi2,,,,,,IPKOJSMGLIKFLO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.522,248-991-0,28361-43-5,"Di-3,4-xylyl sulphone","1,1'-sulfonylbis(3,4-dimethylbenzene)",Cc1ccc(cc1C)S(=O)(=O)c2ccc(C)c(C)c2,Cc1ccc(cc1C)S(=O)(=O)c2ccc(C)c(C)c2,"InChI=1/C16H18O2S/c1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3",C16H18O2S,,,,,,ZSIACQWHDVUCHB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.527,248-996-8,28375-10-2,2-hydroxypropyl 4-oxo-4-[(tributylstannyl)oxy]isocrotonate,2-hydroxypropyl 4-oxo-4-[(tributylstannyl)oxy]but-2-enoate,CCCC[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCC(C)O,CCCC[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCC(C)O,"InChI=1/C7H10O5.3C4H9.Sn/c1-5(8)4-12-7(11)3-2-6(9)10;3*1-3-4-2;/h2-3,5,8H,4H2,1H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC19H36O5Sn/c1-5-8-13-25(14-9-6-2,15-10-7-3)24-19(22)12-11-18(21)23-16-17(4)20/h11-12,17,20H,5-10,13-16H2,1-4H3",C19H36O5Sn,,,,,,VVHZDGRKFKZGDO-RFTJRDPSSA-M,,,,,,,,,,,
100.044.529,248-998-9,28380-11-2,"Hexyl (2E,4Z)-2,4-decadienoate","hexyl deca-2,4-dienoate",CCCCCCOC(=O)\\C=C\\C=C/CCCCC,CCCCCCOC(=O)\C=C\C=C/CCCCC,"InChI=1/C16H28O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h10-12,14H,3-9,13,15H2,1-2H3",C16H28O2,,,,,,MWPHACRHOHYYNT-HSINTONASA-N,,,,,,,,,,,
100.044.533,249-003-0,28387-62-4,"[3R-(3a,3aß,7ß,8aa)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-carboxaldehyde",cedr-8-en-15-al,CC1CCC2C(C)(C)C3CC12CC=C3C=O,CC1CCC2C(C)(C)C3CC12CC=C3C=O,"InChI=1/C15H22O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,9-10,12-13H,4-5,7-8H2,1-3H3",C15H22O,,,,,,OETRFUZAVAFOBR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.534,249-004-6,28395-03-1,Bumetanide,3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid,CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O,CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O,"InChI=1/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)",C17H20N2O5S,,,,,,MAEIEVLCKWDQJH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.541,249-011-4,28416-66-2,"(3-cyano-2-methyl-3-phenylhexane-5-yl)dimethylammonium dihydrogen (2-hydroxypropane-1,2,3-tricarboxylate)","4-cyano-N,N,5-trimethyl-4-phenylhexan-2-aminium dihydrogen citrate",CC(C)C(CC(C)[NH+](C)C)(C#N)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC(C)C(CC(C)[NH+](C)C)(C#N)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C16H24N2.C6H8O7/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-14H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C16H24N2.C6H8O7,,,,,,ZXASMEUEMIIBDZ-UHFFFAOYSA-L,,,,,,,,,,,
100.044.544,249-015-6,28434-74-4,Sodium 3-(aminosulphonyl)-5-(butylamino)-4-phenoxybenzoate,sodium 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate,[Na+].CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)[O-],[Na+].CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)[O-],"InChI=1/C17H20N2O5S.Na/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13;/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23);/q;+1/p-1",C17H20N2O5S.Na,,,,,,QDFGOJHAQZEYQL-UHFFFAOYSA-M,,,,,,,,,,,
100.044.547,249-018-2,28439-40-9,"3a,17,21-trihydroxy-5ß-pregnane-11,20-dione 3,21-di(acetate)","17-hydroxy-11,20-dioxopregnane-3,21-diyl diacetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C(=O)C[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C(=O)C[C@]12C)OC(=O)C,"InChI=1/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3",C25H36O7,,,,,,PXQRJZNDFRAFTF-BQCMLFGMSA-N,,,,,,,,,,,
100.020.712,222-782-4,3612-20-2,1-benzyl-4-piperidone,1-benzylpiperidin-4-one,O=C1CCN(Cc2ccccc2)CC1,O=C1CCN(Cc2ccccc2)CC1,"InChI=1/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2",C12H15NO,,,,,,SJZKULRDWHPHGG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.722,222-793-4,3615-41-6,6-deoxy-L-mannose,6-deoxy-L-mannose,C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O,C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O,"InChI=1/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3",C6H12O5,,,,,,PNNNRSAQSRJVSB-BXKVDMCESA-N,,,,,,,,,,,
100.020.723,222-795-5,3615-44-9,D-manno-2-heptulose,hept-2-ulose,OCC(O)C(O)C(O)C(O)C(=O)CO,OCC(O)C(O)C(O)C(O)C(=O)CO,"InChI=1/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2",C7H14O7,,,,,,HSNZZMHEPUFJNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.729,222-801-6,3616-57-7,"2,2-diethoxyethyl(diethyl)amine","2,2-diethoxy-N,N-diethylethanamine",CCOC(CN(CC)CC)OCC,CCOC(CN(CC)CC)OCC,"InChI=1/C10H23NO2/c1-5-11(6-2)9-10(12-7-3)13-8-4/h10H,5-9H2,1-4H3",C10H23NO2,,,,,,HNFUIXOBWCFVAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.169,243-102-2,19480-40-1,"Potassium 4-(2,4-dichlorophenoxy)butyrate","potassium 4-(2,4-dichlorophenoxy)butanoate",[K+].[O-]C(=O)CCCOc1ccc(Cl)cc1Cl,[K+].[O-]C(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C10H10Cl2O3.K/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14;/h3-4,6H,1-2,5H2,(H,13,14);/q;+1/p-1",C10H10Cl2O3.K,,,,,,WRBJKRRJBCSNLE-UHFFFAOYSA-M,,,,,,,,,,,
100.039.170,243-103-8,19480-43-4,2-butoxyethyl 4-chloro-o-tolyloxyacetate,2-butoxyethyl (4-chloro-2-methylphenoxy)acetate,CCCCOCCOC(=O)COc1ccc(Cl)cc1C,CCCCOCCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C15H21ClO4/c1-3-4-7-18-8-9-19-15(17)11-20-14-6-5-13(16)10-12(14)2/h5-6,10H,3-4,7-9,11H2,1-2H3",C15H21ClO4,,,,,,WKGKFWXGAHXMCE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.172,243-105-9,19485-03-1,"Butane-1,3-diyl diacrylate","butane-1,3-diyl bisacrylate",CC(CCOC(=O)C=C)OC(=O)C=C,CC(CCOC(=O)C=C)OC(=O)C=C,"InChI=1/C10H14O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3",C10H14O4,,,,,,FQMIAEWUVYWVNB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.177,243-111-1,19493-25-5,Benzyldiethyl(2-hydroxyethyl)ammonium chloride,"N-benzyl-N,N-diethyl-2-hydroxyethanaminium chloride",[Cl-].CC[N+](CC)(CCO)Cc1ccccc1,[Cl-].CC[N+](CC)(CCO)Cc1ccccc1,"InChI=1/C13H22NO.ClH/c1-3-14(4-2,10-11-15)12-13-8-6-5-7-9-13;/h5-9,15H,3-4,10-12H2,1-2H3;1H/q+1;/p-1",C13H22NO.Cl,,,,,,MTIWHYTVKBFFOH-UHFFFAOYSA-M,,,,,,,,,,,
100.039.179,243-113-2,19500-94-8,"2-acetyl-1,4-diaminoanthraquinone","2-acetyl-1,4-diamino-9,10-anthraquinone",CC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,CC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C16H12N2O3/c1-7(19)10-6-11(17)12-13(14(10)18)16(21)9-5-3-2-4-8(9)15(12)20/h2-6H,17-18H2,1H3",C16H12N2O3,,,,,,GUUWHMTVVVFXIF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.184,243-119-5,19509-11-6,1-methyl-3-phenylpiperidine,1-methyl-3-phenylpiperidine,CN1CCCC(C1)c2ccccc2,CN1CCCC(C1)c2ccccc2,"InChI=1/C12H17N/c1-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3",C12H17N,,,,,,AVIAGAGHRPKXCE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.647,249-128-0,28655-63-2,"Ar-(allyloxy)xylene-a,a'-diol","4-(allyloxy)-2,5-dimethylbenzene-1,3-diol",Cc1cc(O)c(C)c(O)c1OCC=C,Cc1cc(O)c(C)c(O)c1OCC=C,"InChI=1/C11H14O3/c1-4-5-14-11-7(2)6-9(12)8(3)10(11)13/h4,6,12-13H,1,5H2,2-3H3",C11H14O3,,,,,,PBVPXGDABWOZGU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.648,249-129-6,28655-71-2,"Heptachloro-1,1'-biphenyl","2,2',3,3',4,4',5-heptachlorobiphenyl",Clc1ccc(c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl,Clc1ccc(c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl,InChI=1/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H,C12H3Cl7,,,,,,RMPWIIKNWPVWNG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.652,249-133-8,28657-80-9,Cinoxacin,"1-ethyl-4-oxo-1,4-dihydro[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid",CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12,CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12,"InChI=1/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)",C12H10N2O5,,,,,,VDUWPHTZYNWKRN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.656,249-138-5,28664-37-1,3-hydroxy-4-methyl-5-propylfuran-2(5H)-one,3-hydroxy-4-methyl-5-propylfuran-2(5H)-one,CCCC1OC(=O)C(=C1C)O,CCCC1OC(=O)C(=C1C)O,"InChI=1/C8H12O3/c1-3-4-6-5(2)7(9)8(10)11-6/h6,9H,3-4H2,1-2H3",C8H12O3,,,,,,RSJIVJVBFQHLPW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.659,249-141-1,28672-98-2,Sodium 1-propyne-1-sulphonate,sodium prop-1-yne-1-sulfonate,[Na+].CC#CS(=O)(=O)[O-],[Na+].CC#CS(=O)(=O)[O-],"InChI=1/C3H4O3S.Na/c1-2-3-7(4,5)6;/h1H3,(H,4,5,6);/q;+1/p-1",C3H4O3S.Na,,,,,,MRGUSFYIQDLKNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.670,249-153-7,28680-45-7,Heptachlorobicyclo[2.2.1]hept-2-ene,"1,2,3,4,5,5,6-heptachlorobicyclo[2.2.1]hept-2-ene",ClC1C(Cl)(Cl)C2(Cl)CC1(Cl)C(=C2Cl)Cl,ClC1C(Cl)(Cl)C2(Cl)CC1(Cl)C(=C2Cl)Cl,"InChI=1/C7H3Cl7/c8-2-3(9)6(12)1-5(2,11)4(10)7(6,13)14/h4H,1H2",C7H3Cl7,,,,,,YGCGNMLFVCPMEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.677,249-161-0,28692-38-8,Lithium 2-(4-chloro-2-methylphenoxy)propionate,lithium 2-(4-chloro-2-methylphenoxy)propanoate,[Li+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],[Li+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.Li/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+1/p-1",C10H11ClO3.Li,,,,,,KFFYBGNYRIHVKI-UHFFFAOYSA-M,,,,,,,,,,,
100.044.681,249-165-2,28699-88-9,Dichloronaphthalene,"1,2-dichloronaphthalene",Clc1ccc2ccccc2c1Cl,Clc1ccc2ccccc2c1Cl,InChI=1/C10H6Cl2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,C10H6Cl2,,,,,,MOXLHAPKZWTHEX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.682,249-166-8,28701-67-9,3-(isodecyloxy)propylammonium acetate,3-[(8-methylnonyl)oxy]propan-1-amine acetate,CC(C)CCCCCCCOCCCN.CC(=O)O,CC(C)CCCCCCCOCCCN.CC(=O)O,"InChI=1/C13H29NO.C2H4O2/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14;1-2(3)4/h13H,3-12,14H2,1-2H3;1H3,(H,3,4)",C13H29NO.C2H4O2,,,,,,BOKTVFODBQQGIH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.536,249-006-7,28397-10-6,2-[2-(2-hydroxyethoxy)ethoxy]ethyl octanoate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl octanoate,CCCCCCCC(=O)OCCOCCOCCO,CCCCCCCC(=O)OCCOCCOCCO,"InChI=1/C14H28O5/c1-2-3-4-5-6-7-14(16)19-13-12-18-11-10-17-9-8-15/h15H,2-13H2,1H3",C14H28O5,,,,,,YIXVNSVLWYQVSM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.543,249-014-0,28434-01-7,Bioresmethrin,"(5-benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C,CC(=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C,"InChI=1/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3",C22H26O3,,,,,,VEMKTZHHVJILDY-UXHICEINSA-N,,,,,,,,,,,
100.044.548,249-019-8,28439-53-4,"5-a,11-ß,17-a,21-tetrahydroxy-6-ß-methylpregnane-3,20-dione 21-acetate","5,11,17-trihydroxy-6-methyl-3,20-dioxopregnan-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C[C@]14O,C[C@@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C[C@]14O,"InChI=1/C24H36O7/c1-13-9-16-17-6-8-23(29,19(28)12-31-14(2)25)22(17,4)11-18(27)20(16)21(3)7-5-15(26)10-24(13,21)30/h13,16-18,20,27,29-30H,5-12H2,1-4H3",C24H36O7,,,,,,SKQZWXHBCDJNNV-OMDNDWLBSA-N,,,,,,,,,,,
100.020.716,222-787-1,3614-38-8,4-(acetylamino)-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,4-acetamido-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,CCN(CC)CCNC(=O)c1ccc(NC(=O)C)cc1OC,CCN(CC)CCNC(=O)c1ccc(NC(=O)C)cc1OC,"InChI=1/C16H25N3O3/c1-5-19(6-2)10-9-17-16(21)14-8-7-13(18-12(3)20)11-15(14)22-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,21)(H,18,20)",C16H25N3O3,,,,,,DOICERWTDRJLRV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.717,222-788-7,3614-47-9,Hydracarbazine,6-hydrazinopyridazine-3-carboxamide,NNc1ccc(nn1)C(=O)N,NNc1ccc(nn1)C(=O)N,"InChI=1/C5H7N5O/c6-5(11)3-1-2-4(8-7)10-9-3/h1-2H,7H2,(H2,6,11)(H,8,10)",C5H7N5O,,,,,,WRYZEGZNBYOMLE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.727,222-799-7,3616-19-1,Cellobiose octaacetate,"1,2,3,6-tetra-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranose",CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C,CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C,"InChI=1/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3",C28H38O19,,,,,,WOTQVEKSRLZRSX-HYSGBLIFSA-N,,,,,,,,,,,
100.020.730,222-802-1,3616-58-8,"1-(2,2-diethoxyethyl)piperidine","1-(2,2-diethoxyethyl)piperidine",CCOC(CN1CCCCC1)OCC,CCOC(CN1CCCCC1)OCC,"InChI=1/C11H23NO2/c1-3-13-11(14-4-2)10-12-8-6-5-7-9-12/h11H,3-10H2,1-2H3",C11H23NO2,,,,,,VSHHRRNJQBETGT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.731,222-803-7,3616-78-2,(R)-N-ethyl-a-methyl-3-(trifluoromethyl)phenethylamine hydrochloride,N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride,Cl.CCN[C@H](C)Cc1cccc(c1)C(F)(F)F,Cl.CCN[C@H](C)Cc1cccc(c1)C(F)(F)F,"InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H",C12H16F3N.ClH,,,,,,ZXKXJHAOUFHNAS-SBSPUUFOSA-N,,,,,,,,,,,
100.020.738,222-811-0,3618-63-1,"Sodium 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonate","sodium 3-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)c4cc(O)c(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c3ccccc34,[Na+].[O-]S(=O)(=O)c4cc(O)c(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c3ccccc34,"InChI=1/C20H16N4O5S.Na/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;/h2-11,18,25H,1H3,(H,27,28,29);/q;+1/p-1",C20H16N4O5S.Na,,,,,,FPSFKBGHBCHTOE-UHFFFAOYSA-M,,,,,,,,,,,
100.020.739,222-812-6,3618-65-3,"2,2'-[[5-acetamido-4-[(2,4-dinitrophenyl)azo]-4-ethoxyphenyl]imino]diethyl diacetate","({3-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-4-ethoxycyclohexa-2,5-dien-1-yl}imino)diethane-2,1-diyl diacetate",O=C(C)N\\C2=C\\C(\\C=C/C2(OCC)N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,O=C(C)N\C2=C\C(\C=C/C2(OCC)N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,"InChI=1/C24H30N6O10/c1-5-40-24(27-26-21-7-6-20(29(34)35)14-22(21)30(36)37)9-8-19(15-23(24)25-16(2)31)28(10-12-38-17(3)32)11-13-39-18(4)33/h6-9,14-15,19H,5,10-13H2,1-4H3,(H,25,31)",C24H28N6O10,,,,,,FHJQCYFCSAHQKE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.741,222-814-7,3618-73-3,"2,2'-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]imino]diethyl diacetate","({5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}imino)diethane-2,1-diyl diacetate",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C23H25ClN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)",C23H25ClN6O10,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18576,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.741,VRTQJBZLCYJJCI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.742,222-815-2,3619-22-5,p-toluohydrazide,4-methylbenzohydrazide,Cc1ccc(cc1)C(=O)NN,Cc1ccc(cc1)C(=O)NN,"InChI=1/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O,,,,,,MFFVZXOPRXMVET-UHFFFAOYSA-N,,,,,,,,,,,
100.028.222,231-044-0,7421-40-1,Carbenoxolone disodium,carbenoxolone disodium,[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)OC(=O)CCC(=O)O,[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)OC(=O)CCC(=O)O,"InChI=1/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1",C34H50O7.2Na,,,,,,BQENDLAVTKRQMS-SBBGFIFASA-N,,,,,,,,,,,
100.028.224,231-046-1,7422-90-4,Acetaldehyde dimethylhydrazone,"2-ethylidene-1,1-dimethylhydrazine",C\\C=N/N(C)C,C\C=N/N(C)C,"InChI=1/C4H10N2/c1-4-5-6(2)3/h4H,1-3H3",C4H10N2,,,,,,FDWQPDLACZBQBC-PLNGDYQASA-N,,,,,,,,,,,
100.028.228,231-050-3,7423-93-0,3-chloro-L-tyrosine,3-chlorotyrosine,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O,"InChI=1/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)",C9H10ClNO3,,,,,,ACWBBAGYTKWBCD-ZETCQYMHSA-N,,,,,,,,,,,
100.027.022,229-723-1,6683-46-1,"1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene","1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene",CC1(C)CCC(C)(C)c2ccccc12,CC1(C)CCC(C)(C)c2ccccc12,"InChI=1/C14H20/c1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h5-8H,9-10H2,1-4H3",C14H20,,,,,,CCQKWSZYTOCEIB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.025,229-726-8,6683-92-7,1-phenylpentan-2-one,1-phenylpentan-2-one,CCCC(=O)Cc1ccccc1,CCCC(=O)Cc1ccccc1,"InChI=1/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3",C11H14O,,,,,,NFKAWBGFIMBUMB-UHFFFAOYSA-N,,,,,,,,,,,
100.027.027,229-728-9,6684-27-1,"2,4-dichloro-6-isopropoxy-1,3,5-triazine","2,4-dichloro-6-isopropoxy-1,3,5-triazine",CC(C)Oc1nc(Cl)nc(Cl)n1,CC(C)Oc1nc(Cl)nc(Cl)n1,"InChI=1/C6H7Cl2N3O/c1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H3",C6H7Cl2N3O,,,,,,PFMRZZXGXJJZHY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.028,229-729-4,6685-76-3,"Carbonic acid, compound with phenylguanidine (1:1)",carbonic acid - 1-phenylguanidine (1:1),NC(=N)Nc1ccccc1.OC(=O)O,NC(=N)Nc1ccccc1.OC(=O)O,"InChI=1/C7H9N3.CH2O3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H2,2,3,4)",C7H9N3.CH2O3,,,,,,XDSYAIICRRZSJX-UHFFFAOYSA-N,,,,,,,,,,,
100.027.031,229-733-6,6688-50-2,"3,3-dibutyl-2,4,3-benzodioxastannepin-1,5-dione","3,3-dibutyl-2,4,3-benzodioxastannepine-1,5-dione",CCCC[Sn]1(CCCC)OC(=O)c2ccccc2C(=O)O1,CCCC[Sn]1(CCCC)OC(=O)c2ccccc2C(=O)O1,"InChI=1/C8H6O4.2C4H9.Sn/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-3-4-2;/h1-4H,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2/rC16H22O4Sn/c1-3-5-11-21(12-6-4-2)19-15(17)13-9-7-8-10-14(13)16(18)20-21/h7-10H,3-6,11-12H2,1-2H3",C16H22O4Sn,,,,,,VYVFQBFOMKEKBG-UHFFFAOYSA-L,,,,,,,,,,,
100.027.034,229-736-2,6692-89-3,N5-(aminocarbonyl)-N2-[(phenylmethoxy)carbonyl]-L-ornithine,N~2~-[(benzyloxy)carbonyl]-N~5~-carbamoyl-L-ornithine,NC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,NC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C14H19N3O5/c15-13(20)16-8-4-7-11(12(18)19)17-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,21)(H,18,19)(H3,15,16,20)",C14H19N3O5,,,,,,FCRRSTCOJQAZEG-NSHDSACASA-N,,,,,,,,,,,
100.027.035,229-737-8,6693-29-4,"[trans(trans)]-4,4'-methylenebis(cyclohexylamine)","4,4'-methylenedicyclohexanamine",NC1CCC(CC2CCC(N)CC2)CC1,NC1CCC(CC2CCC(N)CC2)CC1,"InChI=1/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2",C13H26N2,,,,,,DZIHTWJGPDVSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.036,229-738-3,6693-30-7,"[trans(cis)]-4,4'-methylenebis(cyclohexylamine)","4,4'-methylenedicyclohexanamine",NC1CCC(CC2CCC(N)CC2)CC1,NC1CCC(CC2CCC(N)CC2)CC1,"InChI=1/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2",C13H26N2,,,,,,DZIHTWJGPDVSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.027.038,229-740-4,6694-64-0,"6-(3,6-dichloropyridazine-4-carboxamido)-4-hydroxy-3-[(p-sulphophenyl)azo]naphthalene-2-sulphonic acid","6-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-4-hydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",O=C(Nc2cc3c(O)c(N=Nc1ccc(cc1)S(O)(=O)=O)c(cc3cc2)S(O)(=O)=O)c4cc(Cl)nnc4Cl,O=C(Nc2cc3c(O)c(N=Nc1ccc(cc1)S(O)(=O)=O)c(cc3cc2)S(O)(=O)=O)c4cc(Cl)nnc4Cl,"InChI=1/C21H13Cl2N5O8S2/c22-17-9-15(20(23)28-26-17)21(30)24-12-2-1-10-7-16(38(34,35)36)18(19(29)14(10)8-12)27-25-11-3-5-13(6-4-11)37(31,32)33/h1-9,29H,(H,24,30)(H,31,32,33)(H,34,35,36)",C21H13Cl2N5O8S2,,,,,,QEGZDILPMJSNCK-UHFFFAOYSA-N,,,,,,,,,,,
100.027.043,229-746-7,6701-15-1,Pentyl 2-cyanoacrylate,pentyl 2-cyanoacrylate,CCCCCOC(=O)C(=C)C#N,CCCCCOC(=O)C(=C)C#N,"InChI=1/C9H13NO2/c1-3-4-5-6-12-9(11)8(2)7-10/h2-6H2,1H3",C9H13NO2,,,,,,SXRFXXNXVPFXDU-UHFFFAOYSA-N,,,,,,,,,,,
100.027.047,229-750-9,6704-15-0,"1,1'-thiodipropan-2-ol","1,1'-sulfanediyldipropan-2-ol",CC(O)CSCC(C)O,CC(O)CSCC(C)O,"InChI=1/C6H14O2S/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3",C6H14O2S,,,,,,WGLYLHNRGWWZMW-UHFFFAOYSA-N,,,,,,,,,,,
100.027.052,229-756-1,6709-22-4,"2,2,3-trimethylcyclopent-3-enecarboxylic acid","2,2,3-trimethylcyclopent-3-ene-1-carboxylic acid",CC1=CCC(C(=O)O)C1(C)C,CC1=CCC(C(=O)O)C1(C)C,"InChI=1/C9H14O2/c1-6-4-5-7(8(10)11)9(6,2)3/h4,7H,5H2,1-3H3,(H,10,11)",C9H14O2,,,,,,ZRVJUIDXQSYDBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.732,222-804-2,3617-46-7,N-[N-[(phenylmethoxy)carbonyl]-L-phenylalanyl]-L-glutamic acid,N-[(benzyloxy)carbonyl]-L-phenylalanyl-L-glutamic acid,OC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)O,OC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)O,"InChI=1/C22H24N2O7/c25-19(26)12-11-17(21(28)29)23-20(27)18(13-15-7-3-1-4-8-15)24-22(30)31-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29)",C22H24N2O7,,,,,,SQXRAMCBXCVJQK-ROUUACIJSA-N,,,,,,,,,,,
100.020.734,222-806-3,3618-49-3,"N,N'-thiobis(acetamide)","N,N'-sulfanediyldiacetamide",CC(=O)NSNC(=O)C,CC(=O)NSNC(=O)C,"InChI=1/C4H8N2O2S/c1-3(7)5-9-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)",C4H8N2O2S,,,,,,FNECJRWVEJAAEC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.735,222-807-9,3618-58-4,Sodium 3-hydroxy-4-[(2-hydroxynaphthyl)azo]-7-nitronaphthalene-1-sulphonate,sodium 3-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]-7-nitronaphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccc(cc34)[N+]([O-])=O,[Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccc(cc34)[N+]([O-])=O,"InChI=1/C20H13N3O7S.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1",C20H13N3O7S.Na,,,,,,DXRWYIKGBIPGAG-UHFFFAOYSA-M,,,,,,,,,,,
100.020.744,222-817-3,3621-38-3,Jatrorrhizine,"3-hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium",COc1cc2c(CC[n+]3cc4c(OC)c(OC)ccc4cc23)cc1O,COc1cc2c(CC[n+]3cc4c(OC)c(OC)ccc4cc23)cc1O,"InChI=1/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1",C20H20NO4,,,,,,MXTLAHSTUOXGQF-UHFFFAOYSA-O,,,,,,,,,,,
100.020.745,222-818-9,3621-82-7,"2,6-dichlorobenzoxazole","2,6-dichloro-1,3-benzoxazole",Clc1ccc2nc(Cl)oc2c1,Clc1ccc2nc(Cl)oc2c1,InChI=1/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,C7H3Cl2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11973,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.745,LVVQTPZQNHQLOM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.746,222-819-4,3622-23-9,"2,6-dichlorobenzothiazole","2,6-dichloro-1,3-benzothiazole",Clc1ccc2nc(Cl)sc2c1,Clc1ccc2nc(Cl)sc2c1,InChI=1/C7H3Cl2NS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,C7H3Cl2NS,,,,,,QDZGJGWDGLHVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.261,221-186-1,3025-96-5,4-acetamidobutyric acid,4-acetamidobutanoic acid,CC(=O)NCCCC(=O)O,CC(=O)NCCCC(=O)O,"InChI=1/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)",C6H11NO3,,,,,,UZTFMUBKZQVKLK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.262,221-187-7,3026-22-0,Cadmium bis[benzoate],cadmium dibenzoate,[Cd+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,[Cd+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2,"InChI=1/2C7H6O2.Cd/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2",C7H6O2.1/2Cd,,,,,,JOGSGUQZPZCJCG-UHFFFAOYSA-L,,,,,,,,,,,
100.019.264,221-189-8,3026-69-5,Dimethyldioctylammonium bromide,"N,N-dimethyl-N-octyloctan-1-aminium bromide",[Br-].CCCCCCCC[N+](C)(C)CCCCCCCC,[Br-].CCCCCCCC[N+](C)(C)CCCCCCCC,"InChI=1/C18H40N.BrH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1",C18H40N.Br,,,,,,APTVNWGLSRAOFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.019.268,221-194-5,3028-88-4,Trioctyl phosphite,trioctyl phosphite,CCCCCCCCOP(OCCCCCCCC)OCCCCCCCC,CCCCCCCCOP(OCCCCCCCC)OCCCCCCCC,"InChI=1/C24H51O3P/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51O3P,,,,,,QOQNJVLFFRMJTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.270,221-196-6,3029-19-4,Pyrene-1-carbaldehyde,pyrene-1-carbaldehyde,O=Cc1ccc2ccc3cccc4ccc1c2c34,O=Cc1ccc2ccc3cccc4ccc1c2c34,InChI=1/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H,C17H10O,,,,,,RCYFOPUXRMOLQM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.276,221-202-7,3030-59-9,"Octahydro-4-(oxiranylmethoxy)-2,5-methano-2H-indeno[1,2-b]oxirene","4-(oxiran-2-ylmethoxy)octahydro-1aH-2,5-methanoindeno[1,2-b]oxirene",C(OC1CC2CC1C3CC4OC4C23)C5CO5,C(OC1CC2CC1C3CC4OC4C23)C5CO5,"InChI=1/C13H18O3/c1-6-2-10(15-5-7-4-14-7)8(1)9-3-11-13(16-11)12(6)9/h6-13H,1-5H2",C13H18O3,,,,,,HGXWGDPXIFBZIA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.283,221-210-0,3031-68-3,"Hexa-2,4-diyne-1,6-diol","hexa-2,4-diyne-1,6-diol",OCC#CC#CCO,OCC#CC#CCO,"InChI=1/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2",C6H6O2,,,,,,JXMQYKBAZRDVTC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.285,221-212-1,3031-94-5,5-amino-1-(5-O-phosphono-ß-D-ribofuranosyl)-1H-imidazole-4-carboxamide,5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide,NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N,NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N,"InChI=1/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)",C9H15N4O8P,,,,,,NOTGFIUVDGNKRI-UUOKFMHZSA-N,,,,,,,,,,,
100.019.287,221-214-2,3032-55-1,"2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate",2-methyl-3-(nitrooxy)-2-[(nitrooxy)methyl]propyl nitrate (non-preferred name),CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],"InChI=1/C5H9N3O9/c1-5(2-15-6(9)10,3-16-7(11)12)4-17-8(13)14/h2-4H2,1H3",C5H9N3O9,,,,,,IPPYBNCEPZCLNI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.289,221-216-3,3032-81-3,"1,3-dichloro-5-iodobenzene","1,3-dichloro-5-iodobenzene",Clc1cc(Cl)cc(I)c1,Clc1cc(Cl)cc(I)c1,InChI=1/C6H3Cl2I/c7-4-1-5(8)3-6(9)2-4/h1-3H,C6H3Cl2I,,,,,,AATPRMRVLQZEHB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.687,249-172-0,28706-33-4,"Tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate]",tetrasodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methyl-4-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4C)S([O-])(=O)=O)c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c6,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4C)S([O-])(=O)=O)c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c6,"InChI=1/C35H28N6O15S4.4Na/c1-17-11-23(57(45,46)47)5-9-27(17)38-40-31-29(59(51,52)53)15-19-13-21(3-7-25(19)33(31)42)36-35(44)37-22-4-8-26-20(14-22)16-30(60(54,55)56)32(34(26)43)41-39-28-10-6-24(12-18(28)2)58(48,49)50;;;;/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C35H28N6O15S4.4Na,,,,,,RLFHKVCTLYWSBM-UHFFFAOYSA-J,,,,,,,,,,,
100.044.689,249-174-1,28708-32-9,Tetra-O-acetyl-D-ribofuranose,"1,2,3,5-tetra-O-acetyl-D-ribofuranose",CC(=O)OC[C@H]1OC(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1OC(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3",C13H18O9,,,,,,IHNHAHWGVLXCCI-PFGBXZAXSA-N,,,,,,,,,,,
100.022.383,224-620-8,4430-23-3,"3H-2,1-benzoxathiole 1,1-dioxide","3H-2,1-benzoxathiole 1,1-dioxide",O=S1(=O)OCc2ccccc12,O=S1(=O)OCc2ccccc12,"InChI=1/C7H6O3S/c8-11(9)7-4-2-1-3-6(7)5-10-11/h1-4H,5H2",C7H6O3S,,,,,,SDJPPXJZWJEAPT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.384,224-621-3,4430-24-4,"4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-diiodophenol] S,S-dioxide","4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-diiodophenol)",Oc1c(I)cc(cc1I)C2(OS(=O)(=O)c3ccccc23)c4cc(I)c(O)c(I)c4,Oc1c(I)cc(cc1I)C2(OS(=O)(=O)c3ccccc23)c4cc(I)c(O)c(I)c4,"InChI=1/C19H10I4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H",C19H10I4O5S,,,,,,RXNYILISXGUYFG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.393,224-631-8,4431-83-8,"2,5,7,10-tetraoxaundecane","2,5,7,10-tetraoxaundecane",COCCOCOCCOC,COCCOCOCCOC,"InChI=1/C7H16O4/c1-8-3-5-10-7-11-6-4-9-2/h3-7H2,1-2H3",C7H16O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10866,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.393,QWRBKBNCFWPVJX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.395,224-633-9,4433-30-1,1-phenylundecanone,1-phenylundecan-2-one,CCCCCCCCCC(=O)Cc1ccccc1,CCCCCCCCCC(=O)Cc1ccccc1,"InChI=1/C17H26O/c1-2-3-4-5-6-7-11-14-17(18)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3",C17H26O,,,,,,DVEPCLIODRFJBF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.399,224-638-6,4433-79-8,"4'-chloro-2',5'-dimethoxyacetoacetanilide","N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide",COc1cc(NC(=O)CC(=O)C)c(OC)cc1Cl,COc1cc(NC(=O)CC(=O)C)c(OC)cc1Cl,"InChI=1/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)",C12H14ClNO4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1944,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.399,MOUVJGIRLPZEES-UHFFFAOYSA-N,,,,,,,,,,,
100.022.400,224-639-1,4433-80-1,4'-morpholinoacetoacetanilide,N-[4-(morpholin-4-ylacetyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)C(=O)CN2CCOCC2,CC(=O)Nc1ccc(cc1)C(=O)CN2CCOCC2,"InChI=1/C14H18N2O3/c1-11(17)15-13-4-2-12(3-5-13)14(18)10-16-6-8-19-9-7-16/h2-5H,6-10H2,1H3,(H,15,17)",C14H18N2O3,,,,,,GTEVROOCJREQIA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.405,224-644-9,4435-53-4,3-methoxybutyl acetate,3-methoxybutyl acetate,COC(C)CCOC(=O)C,COC(C)CCOC(=O)C,"InChI=1/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3",C7H14O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5167,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.405,QMYGFTJCQFEDST-UHFFFAOYSA-N,,,,,,,,,,,
100.022.407,224-647-5,4436-30-0,"2-methyl-2-pentyl-1,3-benzodioxole","2-methyl-2-pentyl-1,3-benzodioxole",CCCCCC1(C)Oc2ccccc2O1,CCCCCC1(C)Oc2ccccc2O1,"InChI=1/C13H18O2/c1-3-4-7-10-13(2)14-11-8-5-6-9-12(11)15-13/h5-6,8-9H,3-4,7,10H2,1-2H3",C13H18O2,,,,,,PELGNAVQBDNQGI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.408,224-648-0,4436-74-2,Hex-3-enedioic acid,hex-3-enedioic acid,O=C(O)CC=CCC(O)=O,O=C(O)CC=CCC(O)=O,"InChI=1/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)",C6H8O4,,,,,,YHGNXQAFNHCBTK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.409,224-649-6,4437-20-1,"2,2'-[dithiobis(methylene)]bisfuran","2,2'-[disulfanediylbis(methylene)]difuran",C(SSCc1occc1)c2occc2,C(SSCc1occc1)c2occc2,"InChI=1/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2",C10H10O2S2,,,,,,CBJPZHSWLMJQRI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.416,224-656-4,4439-20-7,"2,2'-(ethane-1,2-diyldiimino)bisethanol","2,2'-(ethane-1,2-diyldiimino)diethanol",OCCNCCNCCO,OCCNCCNCCO,"InChI=1/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2",C6H16N2O2,,,,,,GFIWSSUBVYLTRF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.418,224-659-0,4440-65-7,Hex-3-enal,hex-3-enal,CCC=CCC=O,CCC=CCC=O,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3",C6H10O,,,,,,GXANMBISFKBPEX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.419,224-660-6,4440-87-3,"Oxirane-2,3-dimethanol","oxirane-2,3-diyldimethanol",OCC1OC1CO,OCC1OC1CO,"InChI=1/C4H8O3/c5-1-3-4(2-6)7-3/h3-6H,1-2H2",C4H8O3,,,,,,PENWRXZLRDTNBI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.420,224-661-1,4440-90-8,"4,5-dimethyl-1,3,2-dioxathiolane 2-oxide","4,5-dimethyl-1,3,2-dioxathiolane 2-oxide",CC1OS(=O)OC1C,CC1OS(=O)OC1C,"InChI=1/C4H8O3S/c1-3-4(2)7-8(5)6-3/h3-4H,1-2H3",C4H8O3S,,,,,,SAPINXZHMGNTEC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.428,224-670-0,4442-53-9,"2,3-dihydro-1,4-benzodioxin-5-carboxylic acid","2,3-dihydro-1,4-benzodioxine-5-carboxylic acid",OC(=O)c1cccc2OCCOc12,OC(=O)c1cccc2OCCOc12,"InChI=1/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)",C9H8O4,,,,,,VCLSWKVAHAJSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.007,224-207-2,4246-51-9,"3,3'-oxybis(ethyleneoxy)bis(propylamine)","3,3'-[oxybis(ethane-2,1-diyloxy)]dipropan-1-amine",NCCCOCCOCCOCCCN,NCCCOCCOCCOCCCN,InChI=1/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2,C10H24N2O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5627,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.007,JCEZOHLWDIONSP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.267,221-192-4,3027-21-2,Dimethoxymethylphenylsilane,(dimethoxymethyl)(phenyl)silane,COC(OC)[SiH2]c1ccccc1,COC(OC)[SiH2]c1ccccc1,"InChI=1/C9H14O2Si/c1-10-9(11-2)12-8-6-4-3-5-7-8/h3-7,9H,12H2,1-2H3",C9H14O2Si,,,,,,FNLUYENEAPLWBT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.269,221-195-0,3028-94-2,"1-ethyl-2-[2-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-buten-1-yl]naphtho[1,2-d]thiazolium bromide","1-ethyl-2-{2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium bromide",[Br-].CC[n+]4c5c6ccccc6ccc5sc4C=C(CC)C=C3Sc2ccc1ccccc1c2N3CC,[Br-].CC[n+]4c5c6ccccc6ccc5sc4C=C(CC)C=C3Sc2ccc1ccccc1c2N3CC,"InChI=1/C31H29N2S2.BrH/c1-4-21(19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28)20-29-33(6-3)31-25-14-10-8-12-23(25)16-18-27(31)35-29;/h7-20H,4-6H2,1-3H3;1H/q+1;/p-1",C31H29N2S2.Br,,,,,,GTUGFHRXJPVYKM-UHFFFAOYSA-M,,,,,,,,,,,
100.019.273,221-199-2,3029-79-6,m-methylcinnamic acid,3-(3-methylphenyl)acrylic acid,Cc1cccc(\\C=C\\C(=O)O)c1,Cc1cccc(\C=C\C(=O)O)c1,"InChI=1/C10H10O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O2,,,,,,JZINNAKNHHQBOS-AATRIKPKSA-N,,,,,,,,,,,
100.019.275,221-201-1,3030-47-5,Bis(2-dimethylaminoethyl)(methyl)amine,"N-[2-(dimethylamino)ethyl]-N,N',N'-trimethylethane-1,2-diamine",CN(C)CCN(C)CCN(C)C,CN(C)CCN(C)CCN(C)C,"InChI=1/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3",C9H23N3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14451,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.275,UKODFQOELJFMII-UHFFFAOYSA-N,,,,,,,,,,,
100.019.280,221-206-9,3031-21-8,Tetraisopropyl thioperoxydiphosphate,-,CC(C)OP(=S)(OC(C)C)SSP(=S)(OC(C)C)OC(C)C,CC(C)OP(=S)(OC(C)C)SSP(=S)(OC(C)C)OC(C)C,"InChI=1/C12H28O4P2S4/c1-9(2)13-17(19,14-10(3)4)21-22-18(20,15-11(5)6)16-12(7)8/h9-12H,1-8H3",C12H28O4P2S4,,,,,,YEOPWSIDXUQFJH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.281,221-207-4,3031-48-9,Acetergamine,N-[(6-methylergolin-8-yl)methyl]acetamide,CN1C[C@H](CNC(=O)C)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34,CN1C[C@H](CNC(=O)C)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34,"InChI=1/C18H23N3O/c1-11(22)19-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)21(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H,19,22)",C18H23N3O,,,,,,SGZVEWGAZGOWGP-XGWLTEMNSA-N,,,,,,,,,,,
100.019.282,221-209-5,3031-66-1,"Hex-3-yne-2,5-diol","hex-3-yne-2,5-diol",CC(O)C#CC(C)O,CC(O)C#CC(C)O,"InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3",C6H10O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12361,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.282,KDOWHHULNTXTNS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.286,221-213-7,9/11/3032,Ethoxycarbonylmethyltrimethylammonium chloride,"2-ethoxy-N,N,N-trimethyl-2-oxoethanaminium chloride",[Cl-].CCOC(=O)C[N+](C)(C)C,[Cl-].CCOC(=O)C[N+](C)(C)C,"InChI=1/C7H16NO2.ClH/c1-5-10-7(9)6-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",C7H16NO2.Cl,,,,,,JFCJMBHZZMQZAI-UHFFFAOYSA-M,,,,,,,,,,,
100.019.290,221-217-9,3033-23-6,(2S-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran,4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran,C[C@@H]1CCO[C@@H](C1)C=C(C)C,C[C@@H]1CCO[C@@H](C1)C=C(C)C,"InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3",C10H18O,,,,,,CZCBTSFUTPZVKJ-NXEZZACHSA-N,,,,,,,,,,,
100.019.301,221-229-4,3034-53-5,2-bromothiazole,"2-bromo-1,3-thiazole",Brc1nccs1,Brc1nccs1,InChI=1/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H,C3H2BrNS,,,,,,RXNZFHIEDZEUQM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.309,221-238-3,3038-25-3,5-[4-(diethylamino)phenyl]-5-ethylbarbituric acid,"5-[4-(diethylamino)phenyl]-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCN(CC)c1ccc(cc1)C2(CC)C(=O)NC(=O)NC2=O,CCN(CC)c1ccc(cc1)C2(CC)C(=O)NC(=O)NC2=O,"InChI=1/C16H21N3O3/c1-4-16(13(20)17-15(22)18-14(16)21)11-7-9-12(10-8-11)19(5-2)6-3/h7-10H,4-6H2,1-3H3,(H2,17,18,20,21,22)",C16H21N3O3,,,,,,CKCSVBLIFTUCFH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.310,221-239-9,3038-47-9,2-(trifluoromethyl)phenylacetonitrile,[2-(trifluoromethyl)phenyl]acetonitrile,FC(F)(F)c1ccccc1CC#N,FC(F)(F)c1ccccc1CC#N,"InChI=1/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2",C9H6F3N,,,,,,QXDCZSJGEUSERL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.637,217-200-0,1772-39-0,5-nitro-2-(4-nitrophenyl)-1H-benzimidazole,5-nitro-2-(4-nitrophenyl)-1H-benzimidazole,[O-][N+](=O)c1ccc(cc1)c2nc3cc(ccc3[nH]2)[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)c2nc3cc(ccc3[nH]2)[N+](=O)[O-],"InChI=1/C13H8N4O4/c18-16(19)9-3-1-8(2-4-9)13-14-11-6-5-10(17(20)21)7-12(11)15-13/h1-7H,(H,14,15)",C13H8N4O4,,,,,,XJIPBORERCFIIP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.638,217-201-6,1772-43-6,"4,5-dihydro-2,4,4-trimethyloxazole","2,4,4-trimethyl-4,5-dihydro-1,3-oxazole",CC1=NC(C)(C)CO1,CC1=NC(C)(C)CO1,"InChI=1/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3",C6H11NO,,,,,,HZRZMHNRCSIQFT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.639,217-202-1,1773-89-3,"Dimethyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","dimethyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",COC(=O)C1C(C(=O)OC)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,COC(=O)C1C(C(=O)OC)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1/C11H8Cl6O4/c1-20-7(18)3-4(8(19)21-2)10(15)6(13)5(12)9(3,14)11(10,16)17/h3-4H,1-2H3",C11H8Cl6O4,,,,,,MDHHRPHYYRMIPH-UHFFFAOYSA-N,,,,,,,,,,,
100.027.057,229-761-9,6711-48-4,"N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine","N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine",CN(C)CCCNCCCN(C)C,CN(C)CCCNCCCN(C)C,"InChI=1/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3",C10H25N3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13171,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.057,BXYVQNNEFZOBOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.060,229-765-0,7/03/6713,1-[(2-hydroxyethyl)thio]propan-2-ol,1-[(2-hydroxyethyl)sulfanyl]propan-2-ol,CC(O)CSCCO,CC(O)CSCCO,"InChI=1/C5H12O2S/c1-5(7)4-8-3-2-6/h5-7H,2-4H2,1H3",C5H12O2S,,,,,,WNNRUOPGOIGERJ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.065,229-770-8,6717-38-0,"N-(7,9-dichloro-6,11,14,19,20,21-hexahydro-5,11,14,19,21-pentaoxo-5H-naphtho[2,3-c]naphth[2',3':6,7]indolo[3,2-a]acridin-15-yl)benzamide","N-(7,9-dichloro-5,11,14,19,21-pentaoxo-6,11,14,19,20,21-hexahydro-5H-naphtho[2,3-c]naphtho[2',3':6,7]indolo[3,2-a]acridin-15-yl)benzamide",Clc1cc(Cl)c2Nc3c4C(=O)c5ccccc5C(=O)c4c6[nH]c7c8C(=O)c9cccc(NC(=O)c%10ccccc%10)c9C(=O)c8ccc7c6c3C(=O)c2c1,Clc1cc(Cl)c2Nc3c4C(=O)c5ccccc5C(=O)c4c6[nH]c7c8C(=O)c9cccc(NC(=O)c%10ccccc%10)c9C(=O)c8ccc7c6c3C(=O)c2c1,"InChI=1/C42H19Cl2N3O6/c43-18-15-24-33(25(44)16-18)46-36-30(41(24)52)28-21-13-14-23-29(34(21)47-35(28)31-32(36)38(49)20-10-5-4-9-19(20)37(31)48)40(51)22-11-6-12-26(27(22)39(23)50)45-42(53)17-7-2-1-3-8-17/h1-16,47H,(H,45,53)(H,46,52)",C42H19Cl2N3O6,,,,,,RIDGJYVMBQRIJX-UHFFFAOYSA-N,,,,,,,,,,,
100.024.980,227-478-5,5856-77-9,"2,2-dimethylbutyryl chloride","2,2-dimethylbutanoyl chloride",CCC(C)(C)C(=O)Cl,CCC(C)(C)C(=O)Cl,"InChI=1/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3",C6H11ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5419,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.980,LDJUYMIFFNTKOI-UHFFFAOYSA-N,,,,,,,,,,,
100.024.991,227-490-0,5858-39-9,Sodium 2-(4-(3-methyl-4-(phenylsulphonyloxy)phenylazo)phenylimino)-5-nitrobenzenesulphonate,sodium 2-[(2-methoxyphenyl)diazenyl]-4-sulfonaphthalen-1-olate,[Na+].COc3ccccc3/N=N/c2cc(c1ccccc1c2[O-])S(O)(=O)=O,[Na+].COc3ccccc3/N=N/c2cc(c1ccccc1c2[O-])S(O)(=O)=O,"InChI=1/C17H14N2O5S.Na/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/p-1",C17H14N2O5S.Na,,,,,,ZXGIHDNEIWPDFW-LTRPLHCISA-M,,,,,,,,,,,
100.024.993,227-492-1,5858-51-5,Sodium 6-[(4-aminophenyl)azo]-5-hydroxynaphthalene-1-sulphonate,sodium 6-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c3cccc2c3ccc(N=Nc1ccc(N)cc1)c2O,[Na+].[O-]S(=O)(=O)c3cccc2c3ccc(N=Nc1ccc(N)cc1)c2O,"InChI=1/C16H13N3O4S.Na/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1",C16H13N3O4S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15863,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.993,VFYDFVDOOIPQHX-UHFFFAOYSA-M,,,,,,,,,,,
100.024.999,227-498-4,5858-82-2,Disodium 4-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,disodium 4-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Na+].[Na+].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,[Na+].[Na+].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.2Na/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H13ClN2O6S.2Na,,,,,,LLCSJRIPWBZDCC-UHFFFAOYSA-L,,,,,,,,,,,
100.026.627,229-289-3,6469-93-8,Chlorprothixene hydrochloride,"3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine hydrochloride",Cl.CN(C)CCC=C1c3ccccc3Sc2ccc(Cl)cc12,Cl.CN(C)CCC=C1c3ccccc3Sc2ccc(Cl)cc12,"InChI=1/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H",C18H18ClNS.ClH,,,,,,YWKRLOSRDGPEJR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.631,229-294-0,6470-20-8,"Disodium 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4'-[(2-hydroxy-1-naphthyl)azo][1,1'-biphenyl]-2,2'-disulphonate","disodium 4-[(2-hydroxy-1-naphthyl)diazenyl]-4'-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]biphenyl-2,2'-disulfonate",[Na+].[Na+].Oc6ccc1ccccc1c6N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=NC5C(\\C)=N/N(c4ccccc4)C5=O,[Na+].[Na+].Oc6ccc1ccccc1c6N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=NC5C(\C)=N/N(c4ccccc4)C5=O,"InChI=1/C32H24N6O8S2.2Na/c1-19-30(32(40)38(37-19)23-8-3-2-4-9-23)35-33-21-12-14-25(28(17-21)47(41,42)43)26-15-13-22(18-29(26)48(44,45)46)34-36-31-24-10-6-5-7-20(24)11-16-27(31)39;;/h2-18,30,39H,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C32H24N6O8S2.2Na,,,,,,JCGDEGCAEZOBSD-UHFFFAOYSA-L,,,,,,,,,,,
100.026.634,229-297-7,6470-38-8,"Disodium 3-[[2,2'-dimethyl-4'-[[4-[(phenylsulphonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 3-{[2,2'-dimethyl-4'-({4-[(phenylsulfonyl)oxy]phenyl}diazenyl)biphenyl-4-yl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5C)c6ccccc6,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5C)c6ccccc6,"InChI=1/C36H28N4O10S3.2Na/c1-22-18-26(38-37-25-8-12-28(13-9-25)50-53(48,49)29-6-4-3-5-7-29)10-15-31(22)32-16-11-27(19-23(32)2)39-40-35-34(52(45,46)47)21-24-20-30(51(42,43)44)14-17-33(24)36(35)41;;/h3-21,41H,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C36H28N4O10S3.2Na,,,,,,GPUNJJQVDAZQRI-UHFFFAOYSA-L,,,,,,,,,,,
100.019.291,221-218-4,3033-29-2,"Dihydro-2,2-dioctyl-6H-1,3,2-oxathiastannin-6-one","2,2-dioctyl-1,3,2-oxathiastanninan-6-one",CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CCS1,CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CCS1,"InChI=1/2C8H17.C3H6O2S.Sn/c2*1-3-5-7-8-6-4-2;4-3(5)1-2-6;/h2*1,3-8H2,2H3;6H,1-2H2,(H,4,5);/q;;;+2/p-2/rC19H38O2SSn/c1-3-5-7-9-11-13-17-23(21-19(20)15-16-22-23)18-14-12-10-8-6-4-2/h3-18H2,1-2H3",C19H38O2SSn,,,,,,WLDRJVJOEKXTIE-UHFFFAOYSA-L,,,,,,,,,,,
100.019.292,221-220-5,3033-62-3,"N,N,N',N'-tetramethyl-2,2'-oxybis(ethylamine)","2,2'-oxybis(N,N-dimethylethanamine)",CN(C)CCOCCN(C)C,CN(C)CCOCCN(C)C,"InChI=1/C8H20N2O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H2,1-4H3",C8H20N2O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13873,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.292,GTEXIOINCJRBIO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.297,221-225-2,3034-42-2,1-methyl-5-nitro-1H-imidazole,1-methyl-5-nitro-1H-imidazole,Cn1cncc1[N+](=O)[O-],Cn1cncc1[N+](=O)[O-],"InChI=1/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3",C4H5N3O2,,,,,,JLZXSFPSJJMRIX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.302,221-231-5,3034-79-5,Bis(o-toluoyl) peroxide,bis(2-methylphenyl)peroxyanhydride,Cc1ccccc1C(=O)OOC(=O)c2ccccc2C,Cc1ccccc1C(=O)OOC(=O)c2ccccc2C,"InChI=1/C16H14O4/c1-11-7-3-5-9-13(11)15(17)19-20-16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3",C16H14O4,,,,,,ZICNIEOYWVIEQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.303,221-232-0,3034-94-4,1-ethynyl-3-nitrobenzene,1-ethynyl-3-nitrobenzene,[O-][N+](=O)c1cccc(c1)C#C,[O-][N+](=O)c1cccc(c1)C#C,"InChI=1/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H",C8H5NO2,,,,,,JOUOQPWPDONKKS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.306,221-235-7,5/04/3037,(mercaptoethyl)ammonium toluene-p-sulphonate,1-sulfanylethanaminium 4-methylbenzenesulfonate,CC([NH3+])S.Cc1ccc(cc1)S(=O)(=O)[O-],CC([NH3+])S.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.C2H7NS/c1-6-2-4-7(5-3-6)11(8,9)10;1-2(3)4/h2-5H,1H3,(H,8,9,10);2,4H,3H2,1H3",C7H8O3S.C2H7NS,,,,,,WGBZGDQLADEJRM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.642,217-205-8,1775-43-5,(Z)-hex-2-enoic acid,hex-2-enoic acid,CCC\\C=C/C(=O)O,CCC\C=C/C(=O)O,"InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)",C6H10O2,,,,,,NIONDZDPPYHYKY-PLNGDYQASA-N,,,,,,,,,,,
100.015.643,217-206-3,1775-86-6,"2,3,4,4a,9,9a-hexahydro-1H-carbazole","2,3,4,4a,9,9a-hexahydro-1H-carbazole",C1CCC2C(C1)Nc3ccccc23,C1CCC2C(C1)Nc3ccccc23,"InChI=1/C12H15N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,10,12-13H,2,4,6,8H2",C12H15N,,,,,,HYKFPJAARRNNRX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.645,217-208-4,1776-83-6,Quintiofos,O-ethyl O-quinolin-8-yl phenylphosphonothioate,CCOP(=S)(Oc1cccc2cccnc12)c3ccccc3,CCOP(=S)(Oc1cccc2cccnc12)c3ccccc3,"InChI=1/C17H16NO2PS/c1-2-19-21(22,15-10-4-3-5-11-15)20-16-12-6-8-14-9-7-13-18-17(14)16/h3-13H,2H2,1H3",C17H16NO2PS,,,,,,OYFLKNAULOKYRI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.652,217-216-8,1779-25-5,Chlorodiisobutylaluminium,chloro(diisobutyl)aluminum,CC(C)C[Al](Cl)CC(C)C,CC(C)C[Al](Cl)CC(C)C,"InChI=1/2C4H9.Al.ClH/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;1H/q;;+1;/p-1/rC8H18AlCl/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3",C8H18AlCl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16713,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.652,HQMRIBYCTLBDAK-UHFFFAOYSA-M,,,,,,,,,,,
100.015.654,217-218-9,1779-49-3,Methyltriphenylphosphonium bromide,methyl(triphenyl)phosphonium bromide,[Br-].C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1",C19H18P.Br,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6999,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.654,LSEFCHWGJNHZNT-UHFFFAOYSA-M,,,,,,,,,,,
100.015.657,217-222-0,1779-58-4,(2-methoxy-2-oxoethyl)triphenylphosphonium bromide,(2-methoxy-2-oxoethyl)(triphenyl)phosphonium bromide,[Br-].COC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].COC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H20O2P.BrH/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1",C21H20O2P.Br,,,,,,VCWBQLMDSMSVRL-UHFFFAOYSA-M,,,,,,,,,,,
100.015.662,217-227-8,1780-31-0,"2,4-dichloro-5-methylpyrimidine","2,4-dichloro-5-methylpyrimidine",Cc1cnc(Cl)nc1Cl,Cc1cnc(Cl)nc1Cl,"InChI=1/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3",C5H4Cl2N2,,,,,,DQXNTSXKIUZJJS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.663,217-228-3,1780-40-1,Tetrachloropyrimidine,tetrachloropyrimidine,Clc1nc(Cl)c(Cl)c(Cl)n1,Clc1nc(Cl)c(Cl)c(Cl)n1,InChI=1/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7,C4Cl4N2,,,,,,GVBHCMNXRKOJRH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.665,217-230-4,1782-10-1,2-sulphopalmitic acid,2-sulfohexadecanoic acid,CCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O,CCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O,"InChI=1/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(17)18)22(19,20)21/h15H,2-14H2,1H3,(H,17,18)(H,19,20,21)",C16H32O5S,,,,,,CJAJEZSCULAKCB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.674,217-240-9,1785-74-6,"10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one oxime","10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one oxime",ON=C1c2ccccc2CCc3ccccc13,ON=C1c2ccccc2CCc3ccccc13,"InChI=1/C15H13NO/c17-16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,17H,9-10H2",C15H13NO,,,,,,BYNLMOBUYHLZQC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.677,217-244-0,1786-81-8,Prilocaine hydrochloride,N-(2-methylphenyl)-N~2~-propylalaninamide hydrochloride,Cl.CCCNC(C)C(=O)Nc1ccccc1C,Cl.CCCNC(C)C(=O)Nc1ccccc1C,"InChI=1/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H",C13H20N2O.ClH,,,,,,BJPJNTKRKALCPP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.068,222-074-5,3337-59-5,"Methyl 3,5-dichloro-4-hydroxybenzoate","methyl 3,5-dichloro-4-hydroxybenzoate",COC(=O)c1cc(Cl)c(O)c(Cl)c1,COC(=O)c1cc(Cl)c(O)c(Cl)c1,"InChI=1/C8H6Cl2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3",C8H6Cl2O3,,,,,,UKMOOQFHBGTLAO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.070,222-076-6,3337-70-0,Methyl [(4-nitrophenyl)sulphonyl]carbamate,methyl [(4-nitrophenyl)sulfonyl]carbamate,COC(=O)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],COC(=O)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H8N2O6S/c1-16-8(11)9-17(14,15)7-4-2-6(3-5-7)10(12)13/h2-5H,1H3,(H,9,11)",C8H8N2O6S,,,,,,AZXRVBPSEKZZFS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.078,222-085-5,3342-61-8,Deanol aceglumate,N-acetyl-L-glutamic acid - 2-(dimethylamino)ethanol (1:1),CN(C)CCO.CC(=O)N[C@@H](CCC(=O)O)C(=O)O,CN(C)CCO.CC(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C7H11NO5.C4H11NO/c1-4(9)8-5(7(12)13)2-3-6(10)11;1-5(2)3-4-6/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);6H,3-4H2,1-2H3",C7H11NO5.C4H11NO,,,,,,WKAVKKUXZAWHDM-JEDNCBNOSA-N,,,,,,,,,,,
100.020.079,222-086-0,3343-15-5,"(S)-9,10-didehydro-N-(1-hydroxyethyl)-6-methylergoline-8ß-carboxamide","N-(1-hydroxyethyl)-6-methyl-9,10-didehydroergoline-8-carboxamide",CC(O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,CC(O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,"InChI=1/C18H21N3O2/c1-10(22)20-18(23)12-6-14-13-4-3-5-15-17(13)11(8-19-15)7-16(14)21(2)9-12/h3-6,8,10,12,16,19,22H,7,9H2,1-2H3,(H,20,23)",C18H21N3O2,,,,,,WYTJZJPVCDWOOI-WPJLSRQMSA-N,,,,,,,,,,,
100.020.081,222-088-1,3343-28-0,"N-(tetrahydro-2,6-dioxo-2H-pyran-3-yl)phthalimide","2-(2,6-dioxotetrahydro-2H-pyran-3-yl)-1H-isoindole-1,3(2H)-dione",O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)O1,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)O1,"InChI=1/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2",C13H9NO5,,,,,,ICDLEMPZXFCQEB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.082,222-089-7,3343-41-7,a-hydroxypyridine-2-methanesulphonic acid,hydroxy(pyridin-2-yl)methanesulfonic acid,OC(c1ccccn1)S(=O)(=O)O,OC(c1ccccn1)S(=O)(=O)O,"InChI=1/C6H7NO4S/c8-6(12(9,10)11)5-3-1-2-4-7-5/h1-4,6,8H,(H,9,10,11)",C6H7NO4S,,,,,,NXUYDMFMNBZBMY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.086,222-093-9,3344-18-1,Trimagnesium dicitrate,trimagnesium dicitrate,[Mg+2].[Mg+2].[Mg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Mg+2].[Mg+2].[Mg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3/2Mg,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10972,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.086,PLSARIKBYIPYPF-UHFFFAOYSA-H,,,,,,,,,,,
100.020.087,222-094-4,3344-19-2,"Ethyl [4-(1,1-dimethylethyl)phenoxy]acetate",ethyl (4-tert-butylphenoxy)acetate,CCOC(=O)COc1ccc(cc1)C(C)(C)C,CCOC(=O)COc1ccc(cc1)C(C)(C)C,"InChI=1/C14H20O3/c1-5-16-13(15)10-17-12-8-6-11(7-9-12)14(2,3)4/h6-9H,5,10H2,1-4H3",C14H20O3,,,,,,XKOOVHYJLVRPNR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.088,222-096-5,3344-70-5,"1,12-dibromododecane","1,12-dibromododecane",BrCCCCCCCCCCCCBr,BrCCCCCCCCCCCCBr,InChI=1/C12H24Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2,C12H24Br2,,,,,,ZJJATABWMGVVRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.091,222-099-1,3347-62-4,3-methyl-5-phenyl-1H-pyrazole,3-methyl-5-phenyl-1H-pyrazole,Cc1cc([nH]n1)c2ccccc2,Cc1cc([nH]n1)c2ccccc2,"InChI=1/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)",C10H10N2,,,,,,QHRSESMSOJZMCO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.092,222-100-5,3348-44-5,Chlorobis(dimethylamino)phosphine,"N,N,N',N'-tetramethylphosphorodiamidous chloride",CN(C)P(Cl)N(C)C,CN(C)P(Cl)N(C)C,InChI=1/C4H12ClN2P/c1-6(2)8(5)7(3)4/h1-4H3,C4H12ClN2P,,,,,,MAJFLEHNBOUSIY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.095,222-103-1,3349-36-8,Dibutoxydibutylstannane,dibutoxy(dibutyl)stannane,CCCCO[Sn](CCCC)(CCCC)OCCCC,CCCCO[Sn](CCCC)(CCCC)OCCCC,"InChI=1/2C4H9O.2C4H9.Sn/c2*1-2-3-4-5;2*1-3-4-2;/h2*2-4H2,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2/rC16H36O2Sn/c1-5-9-13-17-19(15-11-7-3,16-12-8-4)18-14-10-6-2/h5-16H2,1-4H3",C16H36O2Sn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12202,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.095,RGCPMRIOBZXXBR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.098,222-106-8,3349-64-2,"3,4-dihydronaphthalen-1(2H)-one oxime","3,4-dihydronaphthalen-1(2H)-one oxime",ON=C2CCCc1ccccc12,ON=C2CCCc1ccccc12,"InChI=1/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2",C10H11NO,,,,,,YFDVQUUMKXZPLK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.100,222-108-9,3350-30-9,Cyclononanone,cyclononanone,O=C1CCCCCCCC1,O=C1CCCCCCCC1,InChI=1/C9H16O/c10-9-7-5-3-1-2-4-6-8-9/h1-8H2,C9H16O,,,,,,BAUZLFKYYIVGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.104,222-113-6,3351-67-5,"1,1,3-triethyl-2-[(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)ethylidene]-2,3-dihydro-1H-benzimidazole-5-sulphonamide","N,1,3-triethyl-2-[2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]-2,3-dihydro-1H-benzimidazole-5-sulfonamide",CCNS(=O)(=O)c1ccc2N(CC)C(=CC=C3SC(=S)N(CC)C3=O)N(CC)c2c1,CCNS(=O)(=O)c1ccc2N(CC)C(=CC=C3SC(=S)N(CC)C3=O)N(CC)c2c1,"InChI=1/C20H26N4O3S3/c1-5-21-30(26,27)14-9-10-15-16(13-14)23(7-3)18(22(15)6-2)12-11-17-19(25)24(8-4)20(28)29-17/h9-13,21H,5-8H2,1-4H3",C20H26N4O3S3,,,,,,SKJNKTWERCCKDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.641,217-204-2,1774-47-6,Trimethyloxosulphonium iodide,trimethyloxosulphonium iodide,[I-].C[S+](=O)(C)C,[I-].C[S+](=O)(C)C,"InChI=1/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1",C3H9OS.I,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15834,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.641,BPLKQGGAXWRFOE-UHFFFAOYSA-M,,,,,,,,,,,
100.015.647,217-211-0,1777-84-0,N-(4-ethoxy-3-nitrophenyl)acetamide,N-(4-ethoxy-3-nitrophenyl)acetamide,CCOc1ccc(NC(=O)C)cc1[N+](=O)[O-],CCOc1ccc(NC(=O)C)cc1[N+](=O)[O-],"InChI=1/C10H12N2O4/c1-3-16-10-5-4-8(11-7(2)13)6-9(10)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)",C10H12N2O4,,,,,,UOIPFPSGIAWJAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.659,217-224-1,1779-81-3,2-thiazolin-2-ylamine,"4,5-dihydro-1,3-thiazol-2-amine",NC1=NCCS1,NC1=NCCS1,"InChI=1/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)",C3H6N2S,,,,,,REGFWZVTTFGQOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.666,217-232-5,1783-81-9,3-(methylthio)aniline,3-(methylsulfanyl)aniline,CSc1cccc(N)c1,CSc1cccc(N)c1,"InChI=1/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3",C7H9NS,,,,,,KCHLDNLIJVSRPK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.668,217-234-6,1783-96-6,D-aspartic acid,D-aspartic acid,N[C@H](CC(=O)O)C(=O)O,N[C@H](CC(=O)O)C(=O)O,"InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)",C4H7NO4,,,,,,CKLJMWTZIZZHCS-UWTATZPHSA-N,,,,,,,,,,,
100.015.679,217-246-1,1786-94-3,"3,6,9,12,15-pentaoxanonadecan-1-ol","3,6,9,12,15-pentaoxanonadecan-1-ol",CCCCOCCOCCOCCOCCOCCO,CCCCOCCOCCOCCOCCOCCO,"InChI=1/C14H30O6/c1-2-3-5-16-7-9-18-11-13-20-14-12-19-10-8-17-6-4-15/h15H,2-14H2,1H3",C14H30O6,,,,,,AZYICGMHYYVGBY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.684,217-251-9,1788-31-4,"1,3-diphenylacetone oxime","1,3-diphenylacetone oxime",ON=C(Cc1ccccc1)Cc2ccccc2,ON=C(Cc1ccccc1)Cc2ccccc2,"InChI=1/C15H15NO/c17-16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,17H,11-12H2",C15H15NO,,,,,,SXEBLVKLMOIGER-UHFFFAOYSA-N,,,,,,,,,,,
100.015.685,217-252-4,1789-30-6,2-amino-5-chlorophenyl cyclohexyl ketone,(2-amino-5-chlorophenyl)(cyclohexyl)methanone,Nc1ccc(Cl)cc1C(=O)C2CCCCC2,Nc1ccc(Cl)cc1C(=O)C2CCCCC2,"InChI=1/C13H16ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5,15H2",C13H16ClNO,,,,,,XCKJMNZTSNFNHE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.558,249-030-8,28454-79-7,"Dihydro-3-(isooctenyl)furan-2,5-dione","3-(6-methylheptyl)furan-2,5-dione",CC(C)CCCCCC1=CC(=O)OC1=O,CC(C)CCCCCC1=CC(=O)OC1=O,"InChI=1/C12H18O3/c1-9(2)6-4-3-5-7-10-8-11(13)15-12(10)14/h8-9H,3-7H2,1-2H3",C12H18O3,,,,,,CLZKIKBLGCCACX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.566,249-039-7,28469-92-3,"2,6-dichlorostyrene","1,3-dichloro-2-vinylbenzene",Clc1cccc(Cl)c1C=C,Clc1cccc(Cl)c1C=C,"InChI=1/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2",C8H6Cl2,,,,,,YJCVRMIJBXTMNR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.567,249-040-2,28470-82-8,"Propane-1,2,3-triyl tris[(3-isocyanatomethylphenyl)carbamate]","propane-1,2,3-triyl tris{[3-(isocyanatomethyl)phenyl]carbamate}",O=C(Nc1cc(ccc1)C/N=C=O)OC(COC(=O)Nc2cc(C/N=C=O)ccc2)COC(=O)Nc3cc(C\\N=C=O)ccc3,O=C(Nc1cc(ccc1)C/N=C=O)OC(COC(=O)Nc2cc(C/N=C=O)ccc2)COC(=O)Nc3cc(C\N=C=O)ccc3,"InChI=1/C30H26N6O9/c37-18-31-13-21-4-1-7-24(10-21)34-28(40)43-16-27(45-30(42)36-26-9-3-6-23(12-26)15-33-20-39)17-44-29(41)35-25-8-2-5-22(11-25)14-32-19-38/h1-12,27H,13-17H2,(H,34,40)(H,35,41)(H,36,42)",C30H26N6O9,,,,,,LROWRZDVKJRCSR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.568,249-041-8,28471-16-1,Tributylphenol,"2,3,4-tributylphenol",CCCCc1ccc(O)c(CCCC)c1CCCC,CCCCc1ccc(O)c(CCCC)c1CCCC,"InChI=1/C18H30O/c1-4-7-10-15-13-14-18(19)17(12-9-6-3)16(15)11-8-5-2/h13-14,19H,4-12H2,1-3H3",C18H30O,,,,,,QQGRFMIMXPWKPM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.592,249-068-5,28528-27-0,"2,2'-[[[3-(2-aminoethoxy)propyl]methylsilylene]bis(oxy)]bis(ethylamine)",2-({(2-aminoethoxy)[3-(2-aminoethoxy)propyl]methylsilyl}oxy)ethanamine (non-preferred name),C[Si](CCCOCCN)(OCCN)OCCN,C[Si](CCCOCCN)(OCCN)OCCN,"InChI=1/C10H27N3O3Si/c1-17(15-8-4-12,16-9-5-13)10-2-6-14-7-3-11/h2-13H2,1H3",C10H27N3O3Si,,,,,,QMVIPBZXOXOPMK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.593,249-069-0,28529-99-9,Disodium hexabromoiridate,disodium hexabromoiridate(2-),[Na+].[Na+].Br[Ir-2](Br)(Br)(Br)(Br)Br,[Na+].[Na+].Br[Ir-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.Ir.2Na/h6*1H;;;/q;;;;;;+4;2*+1/p-6/rBr6Ir.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",Br6Ir.2Na,,,,,,XUAIOVIZUXDJGC-UHFFFAOYSA-H,,,,,,,,,,,
100.044.596,249-072-7,28540-79-6,(E)-tetradec-7-enyl acetate,tetradec-7-en-1-yl acetate,CCCCCC\\C=C\\CCCCCCOC(=O)C,CCCCCC\C=C\CCCCCCOC(=O)C,"InChI=1/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h8-9H,3-7,10-15H2,1-2H3",C16H30O2,,,,,,UEZQOSGCHCNWOE-CMDGGOBGSA-N,,,,,,,,,,,
100.022.010,224-210-9,4250-38-8,Nonacosanoic acid,nonacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)",C29H58O2,,,,,,IHEJEKZAKSNRLY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.011,224-211-4,4250-81-1,1-pentynylbenzene,pent-1-yn-1-ylbenzene,CCCC#Cc1ccccc1,CCCC#Cc1ccccc1,"InChI=1/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3H2,1H3",C11H12,,,,,,DEGIOKWPYFOHGH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.635,229-298-2,6470-39-9,"Sodium 4-chloro-3-[4-[[2,2'-dimethyl-4'-[[4-[(phenylsulphonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-chloro-3-(4-{[2,2'-dimethyl-4'-({4-[(phenylsulfonyl)oxy]phenyl}diazenyl)biphenyl-4-yl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2ccc(c(C)c2)c3ccc(cc3C)N=NC5C(\\C)=N/N(c4cc(ccc4Cl)S([O-])(=O)=O)C5=O)c6ccccc6,[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2ccc(c(C)c2)c3ccc(cc3C)N=NC5C(\C)=N/N(c4cc(ccc4Cl)S([O-])(=O)=O)C5=O)c6ccccc6,"InChI=1/C36H29ClN6O7S2.Na/c1-22-19-26(39-38-25-9-13-28(14-10-25)50-52(48,49)29-7-5-4-6-8-29)11-16-31(22)32-17-12-27(20-23(32)2)40-41-35-24(3)42-43(36(35)44)34-21-30(51(45,46)47)15-18-33(34)37;/h4-21,35H,1-3H3,(H,45,46,47);/q;+1/p-1",C36H29ClN6O7S2.Na,,,,,,UCOKCRRSIUMYIV-UHFFFAOYSA-M,,,,,,,,,,,
100.026.643,229-306-4,4/07/6471,"Trisodium 5-[(6,8-disulphonato-2-naphthyl)azo]salicylate","trisodium 5-[(6,8-disulfonato-2-naphthyl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H12N2O9S2.3Na/c20-15-4-3-11(7-14(15)17(21)22)19-18-10-2-1-9-5-12(29(23,24)25)8-16(13(9)6-10)30(26,27)28;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",C17H12N2O9S2.3Na,,,,,,OGSKTXFSQZLBEB-UHFFFAOYSA-K,,,,,,,,,,,
100.026.644,229-308-5,5/08/6471,"Trisodium 5-[(4,8-disulphonato-2-naphthyl)azo]salicylate","trisodium 5-[(4,8-disulfonato-2-naphthyl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H12N2O9S2.3Na/c20-14-5-4-9(6-13(14)17(21)22)18-19-10-7-12-11(16(8-10)30(26,27)28)2-1-3-15(12)29(23,24)25;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",C17H12N2O9S2.3Na,,,,,,NRACFCMCQILCIE-UHFFFAOYSA-K,,,,,,,,,,,
100.028.617,231-478-0,7578-44-1,"Sodium N'-1,2-cyclohexanediylbis[N-(carboxymethyl)glycinate",disodium [(2-{[carboxy(carboxylatomethyl)amino]methyl}cyclohexyl)(carboxymethyl)amino]acetate,OC(=O)CN(CC(=O)O[Na])C1CCCCC1CN(CC(=O)O[Na])C(=O)O,OC(=O)CN(CC(=O)O[Na])C1CCCCC1CN(CC(=O)O[Na])C(=O)O,"InChI=1/C14H22N2O8.2Na/c17-11(18)6-15(7-12(19)20)10-4-2-1-3-9(10)5-16(14(23)24)8-13(21)22;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2",C14H22N2O8.xNa,,,,,,ZJCXYLBXLAJBDY-UHFFFAOYSA-L,,,,,,,,,,,
100.030.125,233-151-8,10045-89-3,Diammonium iron bis(sulphate),diammonium iron bis(sulphate),[NH4+].[NH4+].[Fe++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,[NH4+].[NH4+].[Fe++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2",Fe.2H3N.2H2O4S,,,,,,IMBKASBLAKCLEM-UHFFFAOYSA-L,,,,,,,,,,,
100.030.135,233-162-8,10049-04-4,Chlorine dioxide,chlorous acid,[O]Cl=O,[O]Cl=O,InChI=1/ClO2/c2-1-3,ClO2,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15450,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.135,OSVXSBDYLRYLIG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.140,233-168-0,10049-10-2,Chromium difluoride,chromium(2+) difluoride,[F-].[F-].[Cr+2],[F-].[F-].[Cr+2],InChI=1/Cr.2FH/h;2*1H/q+2;;/p-2,CrF2,,,,,,RNFYGEKNFJULJY-UHFFFAOYSA-L,,,,,,,,,,,
100.030.142,233-170-1,10049-14-6,Uranium tetrafluoride,uranium tetrafluoride,[F-].[F-].[F-].[F-].[U+2].[U+2],[F-].[F-].[F-].[F-].[U+2].[U+2],InChI=1/4FH.2U/h4*1H;;/q;;;;2*+2/p-4,F4U,,,,,,CWWZGQYYTNZESQ-UHFFFAOYSA-J,,,,,,,,,,,
100.030.148,233-176-4,10049-60-2,sec-butylammonium chloride,butan-2-aminium chloride,[Cl-].CCC(C)[NH3+],[Cl-].CCC(C)[NH3+],"InChI=1/C4H11N.ClH/c1-3-4(2)5;/h4H,3,5H2,1-2H3;1H",C4H11N.ClH,,,,,,VBPUICBFVUTJSE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.150,233-179-0,10051-44-2,Sodium hexanoate,sodium hexanoate,[Na+].CCCCCC(=O)[O-],[Na+].CCCCCC(=O)[O-],"InChI=1/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1",C6H12O2.Na,,,,,,UDWXLZLRRVQONG-UHFFFAOYSA-M,,,,,,,,,,,
100.030.156,233-185-3,10058-07-8,"Nicotinic acid, compound with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)","nicotinic acid - 1,3-dimethyl-7-{2-[(pyridin-3-ylmethyl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione (1:1)",CN1C(=O)N(C)c2ncn(CCNCc3cccnc3)c2C1=O.OC(=O)c4cccnc4,CN1C(=O)N(C)c2ncn(CCNCc3cccnc3)c2C1=O.OC(=O)c4cccnc4,"InChI=1/C15H18N6O2.C6H5NO2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)7-6-17-9-11-4-3-5-16-8-11;8-6(9)5-2-1-3-7-4-5/h3-5,8,10,17H,6-7,9H2,1-2H3;1-4H,(H,8,9)",C15H18N6O2.C6H5NO2,,,,,,DOWFKBHYDXGGML-UHFFFAOYSA-N,,,,,,,,,,,
100.030.157,233-186-9,10058-11-4,1-(4-methoxyphenyl)-1H-imidazolium chloride,3-(4-methoxyphenyl)-1H-imidazol-3-ium chloride,[Cl-].COc1ccc(cc1)[n+]2cc[nH]c2,[Cl-].COc1ccc(cc1)[n+]2cc[nH]c2,"InChI=1/C10H10N2O.ClH/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12;/h2-8H,1H3;1H",C10H10N2O.ClH,,,,,,IMHCOBXOQQDWFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.158,233-187-4,10058-23-8,Potassium hydrogenperoxomonosulphate,potassium (hydroperoxysulfonyl)oxidanide,[K+].OOS(=O)(=O)[O-],[K+].OOS(=O)(=O)[O-],"InChI=1/K.H2O5S/c;1-5-6(2,3)4/h;1H,(H,2,3,4)/q+1;/p-1",H2O5S.K,,,,,,OKBMCNHOEMXPTM-UHFFFAOYSA-M,,,,,,,,,,,
100.044.549,249-020-3,28443-50-7,2-amino-5-chlorophenol,2-amino-5-chlorophenol,Nc1ccc(Cl)cc1O,Nc1ccc(Cl)cc1O,"InChI=1/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2",C6H6ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12346,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.549,FZCQMIRJCGWWCL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.551,249-022-4,28446-68-6,"cis,trans-4-methoxycinnamonitrile",3-(4-methoxyphenyl)acrylonitrile,COc1ccc(/C=C/C#N)cc1,COc1ccc(/C=C/C#N)cc1,"InChI=1/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3",C10H9NO,,,,,,CNBCNHHPIBKYBO-NSCUHMNNSA-N,,,,,,,,,,,
100.044.552,249-024-5,28446-70-0,p-methylcinnamonitrile,3-(4-methylphenyl)acrylonitrile,Cc1ccc(\\C=C\\C#N)cc1,Cc1ccc(\C=C\C#N)cc1,"InChI=1/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3",C10H9N,,,,,,WHECQDVQLPVCRX-NSCUHMNNSA-N,,,,,,,,,,,
100.044.561,249-033-4,28462-17-1,2-[[3-acetamido-4-[(2-chloro-4-nitrophenyl)azo]phenyl](2-cyanoethyl)amino]ethyl acetate,2-[{3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-cyanoethyl)amino]ethyl acetate,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC#N)CCOC(C)=O)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC#N)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C21H21ClN6O5/c1-14(29)24-21-13-16(27(9-3-8-23)10-11-33-15(2)30)4-7-20(21)26-25-19-6-5-17(28(31)32)12-18(19)22/h4-7,12-13H,3,9-11H2,1-2H3,(H,24,29)",C21H21ClN6O5,,,,,,UYRHHMBFMQRBGX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.562,249-035-5,28462-19-3,2-[ethyl(3-methylphenyl)amino]ethyl acetate,2-[ethyl(3-methylphenyl)amino]ethyl acetate,CCN(CCOC(=O)C)c1cccc(C)c1,CCN(CCOC(=O)C)c1cccc(C)c1,"InChI=1/C13H19NO2/c1-4-14(8-9-16-12(3)15)13-7-5-6-11(2)10-13/h5-7,10H,4,8-9H2,1-3H3",C13H19NO2,,,,,,KMLMCHZWMDCYPI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.563,249-036-0,28462-85-3,"Endo-1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol","1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol",CC1(C)C2CCC(C)(C2)C1(C)O,CC1(C)C2CCC(C)(C2)C1(C)O,"InChI=1/C11H20O/c1-9(2)8-5-6-10(3,7-8)11(9,4)12/h8,12H,5-7H2,1-4H3",C11H20O,,,,,,AJVKAPQCJKEUSG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.570,249-043-9,28472-18-6,Trimethyladipic acid,"2,2,3-trimethylhexanedioic acid",CC(CCC(=O)O)C(C)(C)C(=O)O,CC(CCC(=O)O)C(C)(C)C(=O)O,"InChI=1/C9H16O4/c1-6(4-5-7(10)11)9(2,3)8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)",C9H16O4,,,,,,GBURUDXSBYGPBL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.573,249-047-0,28473-19-0,Diisodecyl sebacate,bis(8-methylnonyl) sebacate,CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3",C30H58O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12039,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.573,OAXZVLMNNOOMGN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.577,249-051-2,28480-77-5,a-(4-aminocyclohexyl)-ptoluidine,4-[(4-aminocyclohexyl)methyl]aniline,NC1CCC(Cc2ccc(N)cc2)CC1,NC1CCC(Cc2ccc(N)cc2)CC1,"InChI=1/C13H20N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-2,5-6,11,13H,3-4,7-9,14-15H2",C13H20N2,,,,,,NRVOGWCXEOJNFS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.579,249-053-3,28485-17-8,"Ethyl 1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carboxylate","ethyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate",CCOC(=O)C1=CNC(=O)NC1=O,CCOC(=O)C1=CNC(=O)NC1=O,"InChI=1/C7H8N2O4/c1-2-13-6(11)4-3-8-7(12)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,12)",C7H8N2O4,,,,,,MKNYHTGOVKPZMU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.595,249-071-1,28537-85-1,"Octanoic acid, compound with dibutylamine (1:1)",octanoic acid - N-butylbutan-1-amine (1:1),CCCCCCCC(=O)O.CCCCNCCCC,CCCCCCCC(=O)O.CCCCNCCCC,"InChI=1/C8H19N.C8H16O2/c1-3-5-7-9-8-6-4-2;1-2-3-4-5-6-7-8(9)10/h9H,3-8H2,1-2H3;2-7H2,1H3,(H,9,10)",C8H19N.C8H16O2,,,,,,BNAITARODKBTDD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.597,249-073-2,28541-83-5,7-(a-D-mannopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl alpha-D-mannopyranoside,CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12,CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12,"InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3",C16H18O8,,,,,,YUDPTGPSBJVHCN-VMMWWAARSA-N,,,,,,,,,,,
100.022.014,224-215-6,4251-21-2,"3,3'-(p-phenylene)dipropionic acid","3,3'-(1,4-phenylene)dipropanoic acid",OC(=O)CCc1ccc(CCC(=O)O)cc1,OC(=O)CCc1ccc(CCC(=O)O)cc1,"InChI=1/C12H14O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-4H,5-8H2,(H,13,14)(H,15,16)",C12H14O4,,,,,,DFOCUWFSRVQSNI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.018,224-219-8,4252-85-1,"1,4:3,6-dianhydro-D-glucitol dioleate","1,4:3,6-dianhydro-2,5-di-O-oleoyl-D-glucitol",CCCCCCCC\\C=C/CCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C42H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)47-37-35-45-42-38(36-46-41(37)42)48-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-42H,3-16,21-36H2,1-2H3",C42H74O6,,,,,,NSDNRRCEYUFXNV-PAZPDNHQSA-N,,,,,,,,,,,
100.022.019,224-220-3,4253-22-9,Dibutylthioxostannane,dibutyl(thioxo)stannane,CCCC[Sn](=S)CCCC,CCCC[Sn](=S)CCCC,"InChI=1/2C4H9.S.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;/rC8H18SSn/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3",C8H18SSn,,,,,,JJPZOIJCDNHCJP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.105,222-114-1,3351-73-3,Methacrylammonium hydrogen sulphate,2-methylprop-2-en-1-aminium hydrogen sulfate,CC(=C)C[NH3+].[O-]S(=O)(=O)[O-],CC(=C)C[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/C4H9N.H2O4S/c1-4(2)3-5;1-5(2,3)4/h1,3,5H2,2H3;(H2,1,2,3,4)/p-1",C4H7NO.H2O4S,,,,,,YKBJTGPWPXOVKV-UHFFFAOYSA-M,,,,,,,,,,,
100.020.110,222-119-9,7/05/3353,Manganese distearate,manganese(2+) dioctadecanoate,[Mn+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Mn+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Mn,,,,,,SZINCDDYCOIOJQ-UHFFFAOYSA-L,,,,,,,,,,,
100.019.009,220-909-8,2935-35-5,L-(+)-a-phenylglycine,amino(phenyl)acetic acid,NC(C(=O)O)c1ccccc1,NC(C(=O)O)c1ccccc1,"InChI=1/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)",C8H9NO2,,,,,,ZGUNAGUHMKGQNY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.015,220-916-6,2937-50-0,Allyl chloroformate,allyl chlorocarbonate,ClC(=O)OCC=C,ClC(=O)OCC=C,"InChI=1/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2",C4H5ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18728,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.015,CAEWJEXPFKNBQL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.022,220-923-4,2938-69-4,4-ethyl-4-formylhexanenitrile,4-ethyl-4-formylhexanenitrile,CCC(CC)(CCC#N)C=O,CCC(CC)(CCC#N)C=O,"InChI=1/C9H15NO/c1-3-9(4-2,8-11)6-5-7-10/h8H,3-6H2,1-2H3",C9H15NO,,,,,,AMUXIQHQXOKMTN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.023,220-925-5,2938-98-9,"2-methylbutane-1,4-diol","2-methylbutane-1,4-diol",CC(CO)CCO,CC(CO)CCO,"InChI=1/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3",C5H12O2,,,,,,MWCBGWLCXSUTHK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.029,220-931-8,2941-72-2,6-methoxy-2-methylbenzothiazole,"6-methoxy-2-methyl-1,3-benzothiazole",COc1ccc2nc(C)sc2c1,COc1ccc2nc(C)sc2c1,"InChI=1/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3",C9H9NOS,,,,,,DYHLJSUORLPGNT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.033,220-936-5,2942-58-7,Diethyl cyanidophosphate,diethyl cyanophosphate,CCOP(=O)(OCC)C#N,CCOP(=O)(OCC)C#N,"InChI=1/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3",C5H10NO3P,,,,,,ZWWWLCMDTZFSOO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.035,220-938-6,2943-62-6,Chloropentamethyldisiloxane,"1-chloro-1,1,3,3,3-pentamethyldisiloxane",C[Si](C)(C)O[Si](C)(C)Cl,C[Si](C)(C)O[Si](C)(C)Cl,"InChI=1/C5H15ClOSi2/c1-8(2,3)7-9(4,5)6/h1-5H3",C5H15ClOSi2,,,,,,LFOBOFBSSXPQGD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.037,220-940-7,2943-73-9,Decyltriethoxysilane,decyl(triethoxy)silane,CCCCCCCCCC[Si](OCC)(OCC)OCC,CCCCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1/C16H36O3Si/c1-5-9-10-11-12-13-14-15-16-20(17-6-2,18-7-3)19-8-4/h5-16H2,1-4H3",C16H36O3Si,,,,,,BAAAEEDPKUHLID-UHFFFAOYSA-N,,,,,,,,,,,
100.019.042,220-945-4,2944-28-7,1-(phenylamino)anthraquinone,"1-anilino-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Nc4ccccc4)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccccc4)cccc13,"InChI=1/C20H13NO2/c22-19-14-9-4-5-10-15(14)20(23)18-16(19)11-6-12-17(18)21-13-7-2-1-3-8-13/h1-12,21H",C20H13NO2,,,,,,XRIGHGYEGNDPEU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.043,220-947-5,2944-30-1,"1,4-bis[(4-methoxyphenyl)amino]anthraquinone","1,4-bis[(4-methoxyphenyl)amino]-9,10-anthraquinone",COc1ccc(Nc2ccc(Nc3ccc(OC)cc3)c4C(=O)c5ccccc5C(=O)c24)cc1,COc1ccc(Nc2ccc(Nc3ccc(OC)cc3)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C28H22N2O4/c1-33-19-11-7-17(8-12-19)29-23-15-16-24(30-18-9-13-20(34-2)14-10-18)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3",C28H22N2O4,,,,,,GCKWKXLBKRJDAE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.044,220-948-0,2944-49-2,"2,3-dimethylanisole","1-methoxy-2,3-dimethylbenzene",COc1cccc(C)c1C,COc1cccc(C)c1C,"InChI=1/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3",C9H12O,,,,,,BLMBNEVGYRXFNA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.048,220-952-2,2944-67-4,Triammonium iron(3+) trioxalate,triammonium iron(3+) trioxalate,[Fe+3].[NH4+].[NH4+].[NH4+].O=C([O-])C([O-])=O.[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O,[Fe+3].[NH4+].[NH4+].[NH4+].O=C([O-])C([O-])=O.[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O,"InChI=1/3C2H2O4.Fe.3H3N/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;3*1H3/q;;;+3;;;/p-3",C2H2O4.1/3Fe.H3N,,,,,,UEUDBBQFZIMOQJ-UHFFFAOYSA-K,,,,,,,,,,,
100.019.053,220-958-5,2946-20-5,"2,5,6-trimethylbenzoselenazole","2,5,6-trimethyl-1,3-benzoselenazole",CC1=Nc2cc(C)c(C)cc2[Se]1,CC1=Nc2cc(C)c(C)cc2[Se]1,"InChI=1/C10H11NSe/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3",C10H11NSe,,,,,,LCZZKJPVZHCFMK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.055,220-960-6,2946-61-4,Dimethyl phenylphosphonite,dimethyl phenylphosphonite,COP(OC)c1ccccc1,COP(OC)c1ccccc1,"InChI=1/C8H11O2P/c1-9-11(10-2)8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11O2P,,,,,,LMZLQYYLELWCCW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.054,218-758-8,2226-14-4,"a,3,3-trimethylbicyclo[2.2.1]heptane-2-butanol","5-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)pentan-2-ol",CC(O)CCCC1C2CCC(C2)C1(C)C,CC(O)CCCC1C2CCC(C2)C1(C)C,"InChI=1/C14H26O/c1-10(15)5-4-6-13-11-7-8-12(9-11)14(13,2)3/h10-13,15H,4-9H2,1-3H3",C14H26O,,,,,,MRENMCYNWXGZMV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.073,218-779-2,2234-14-2,"1-[2,4,6-tris(1-methylethyl)phenyl]ethan-1-one","1-(2,4,6-triisopropylphenyl)ethanone",CC(C)c1cc(C(C)C)c(C(=O)C)c(c1)C(C)C,CC(C)c1cc(C(C)C)c(C(=O)C)c(c1)C(C)C,"InChI=1/C17H26O/c1-10(2)14-8-15(11(3)4)17(13(7)18)16(9-14)12(5)6/h8-12H,1-7H3",C17H26O,,,,,,SGRDDUKVLKWIBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.012,224-213-5,8/01/4251,"N,N'-bis(1-methylethyl)benzene-1,4-diamine","N,N'-diisopropylbenzene-1,4-diamine",CC(C)Nc1ccc(NC(C)C)cc1,CC(C)Nc1ccc(NC(C)C)cc1,"InChI=1/C12H20N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10,13-14H,1-4H3",C12H20N2,,,,,,PWNBRRGFUVBTQG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.017,224-218-2,4252-78-2,"2,2',4'-trichloroacetophenone","2-chloro-1-(2,4-dichlorophenyl)ethanone",ClCC(=O)c1ccc(Cl)cc1Cl,ClCC(=O)c1ccc(Cl)cc1Cl,"InChI=1/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2",C8H5Cl3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16015,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.017,VYWPPRLJNVHPEU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.028,224-230-8,4254-29-9,Indan-2-ol,indan-2-ol,OC1Cc2ccccc2C1,OC1Cc2ccccc2C1,"InChI=1/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2",C9H10O,,,,,,KMGCKSAIIHOKCX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.029,224-231-3,4254-88-0,(S)-2-aminooctanedioic acid,2-aminooctanedioic acid,N[C@@H](CCCCCC(=O)O)C(=O)O,N[C@@H](CCCCCC(=O)O)C(=O)O,"InChI=1/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)",C8H15NO4,,,,,,YOFPFYYTUIARDI-LURJTMIESA-N,,,,,,,,,,,
100.022.032,224-235-5,4259-15-8,"Zinc bis[O,O-bis(2-ethylhexyl)] bis(dithiophosphate)","zinc bis[O,O-bis(2-ethylhexyl) dithiophosphate]",[Zn+2].CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC,[Zn+2].CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC,"InChI=1/2C16H35O2PS2.Zn/c2*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h2*15-16H,5-14H2,1-4H3,(H,20,21);/q;;+2/p-2",C16H35O2PS2.1/2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14204,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.032,OECQDNKCDGGPFY-UHFFFAOYSA-L,,,,,,,,,,,
100.022.033,224-236-0,4261-27-2,"2,3-di-O-methyl-D-glucose","2,3-di-O-methyl-D-glucose",CO[C@@H](C=O)[C@@H](OC)[C@H](O)[C@H](O)CO,CO[C@@H](C=O)[C@@H](OC)[C@H](O)[C@H](O)CO,"InChI=1/C8H16O6/c1-13-6(4-10)8(14-2)7(12)5(11)3-9/h4-9,11-12H,3H2,1-2H3",C8H16O6,,,,,,CPALRJNELRTQTO-ULAWRXDQSA-N,,,,,,,,,,,
100.022.043,224-247-0,4265-07-0,Potassium hydrogen 2-(phosphonatooxy)acrylate,-,[K+].[O-]C(=O)C(=C)OP(=O)([O-])[O-],[K+].[O-]C(=O)C(=C)OP(=O)([O-])[O-],"InChI=1/C3H5O6P.K/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-3",C3H5O6P.K,,,,,,SOSDSEAIODNVPX-UHFFFAOYSA-K,,,,,,,,,,,
100.022.046,224-250-7,4265-27-4,2-butylbenzofuran,2-butyl-1-benzofuran,CCCCc1oc2ccccc2c1,CCCCc1oc2ccccc2c1,"InChI=1/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3",C12H14O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18129,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.046,OVJKFJDEVKABNF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.051,224-255-4,4268-63-7,Sodium pentadecanoate,sodium pentadecanoate,[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/5C10H20O2.5Na/c5*1-2-3-4-5-6-7-8-9-10(11)12;;;;;/h5*2-9H2,1H3,(H,11,12);;;;;/q;;;;;5*+1/p-5",C15H30O2.Na,,,,,,ITKRWUFPEKGECA-UHFFFAOYSA-I,,,,,,,,,,,
100.022.052,224-257-5,4269-15-2,4-amino-9H-fluoren-9-one,4-amino-9H-fluoren-9-one,Nc1cccc2C(=O)c3ccccc3c12,Nc1cccc2C(=O)c3ccccc3c12,"InChI=1/C13H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7H,14H2",C13H9NO,,,,,,FFWCEONGEXZNFU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.053,224-258-0,4270-27-3,6-chlorouracil,"6-chloropyrimidine-2,4(1H,3H)-dione",ClC1=CC(=O)NC(=O)N1,ClC1=CC(=O)NC(=O)N1,"InChI=1/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)",C4H3ClN2O2,,,,,,PKUFNWPSFCOSLU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.054,224-259-6,4270-70-6,Triphenylsulphonium chloride,triphenylsulfonium chloride,[Cl-].c1ccc(cc1)[S+](c2ccccc2)c3ccccc3,[Cl-].c1ccc(cc1)[S+](c2ccccc2)c3ccccc3,InChI=1/C18H15S.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1,C18H15S.Cl,,,,,,ZFEAYIKULRXTAR-UHFFFAOYSA-M,,,,,,,,,,,
100.022.055,224-260-1,4271-26-5,3-vinyloxazolidin-2-one,"3-vinyl-1,3-oxazolidin-2-one",C=CN1CCOC1=O,C=CN1CCOC1=O,"InChI=1/C5H7NO2/c1-2-6-3-4-8-5(6)7/h2H,1,3-4H2",C5H7NO2,,,,,,VUEZBQJWLDBIDE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.056,224-261-7,4271-30-1,N-4-aminobenzoyl-L-glutamic acid,N-(4-aminobenzoyl)glutamic acid,Nc1ccc(cc1)C(=O)NC(CCC(=O)O)C(=O)O,Nc1ccc(cc1)C(=O)NC(CCC(=O)O)C(=O)O,"InChI=1/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)",C12H14N2O5,,,,,,GADGMZDHLQLZRI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.314,221-244-6,3040-44-6,2-piperidinoethanol,2-piperidin-1-ylethanol,OCCN1CCCCC1,OCCN1CCCCC1,"InChI=1/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2",C7H15NO,,,,,,KZTWONRVIPPDKH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.321,221-251-4,3044-56-2,"Ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propionate","ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate",CCOC(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1,CCOC(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1,"InChI=1/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3",C14H18O6,,,,,,VEYNISLTHXQSGU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.322,221-253-5,3046-94-4,2-(N-butylanilino)ethanol,2-[(2-butylphenyl)amino]ethanol,CCCCc1ccccc1NCCO,CCCCc1ccccc1NCCO,"InChI=1/C12H19NO/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3",C12H19NO,,,,,,SYHWTJYAXFSDBV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.230,231-052-4,7424-15-9,(S)-a-amino-N-2-naphthyl-1H-imidazole-4-propionamide,N-2-naphthylhistidinamide,NC(Cc1c[nH]cn1)C(=O)Nc2ccc3ccccc3c2,NC(Cc1c[nH]cn1)C(=O)Nc2ccc3ccccc3c2,"InChI=1/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)",C16H16N4O,,,,,,DKDILZBBFKZMRO-UHFFFAOYSA-N,,,,,,,,,,,
100.028.235,231-058-7,7425-15-2,2-ethylbutyl 2-ethylhexanoate,2-ethylbutyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCC(CC)CC,CCCCC(CC)C(=O)OCC(CC)CC,"InChI=1/C14H28O2/c1-5-9-10-13(8-4)14(15)16-11-12(6-2)7-3/h12-13H,5-11H2,1-4H3",C14H28O2,,,,,,ZBFXGRJSIVCJDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.000,233-013-7,10018-87-8,[2-(methacryloyloxy)ethyl]dimethylammonium acetate,"2-(methacryloyloxy)-N,N-dimethylethanaminium acetate",C[NH+](C)CCOC(=O)C(=C)C.CC(=O)[O-],C[NH+](C)CCOC(=O)C(=C)C.CC(=O)[O-],"InChI=1/C8H15NO2.C2H4O2/c1-7(2)8(10)11-6-5-9(3)4;1-2(3)4/h1,5-6H2,2-4H3;1H3,(H,3,4)",C8H15NO2.C2H4O2,,,,,,DCCFDSVMGPRANE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.002,233-015-8,10020-43-6,2-(octyloxy)ethanol,2-(octyloxy)ethanol,CCCCCCCCOCCO,CCCCCCCCOCCO,"InChI=1/C10H22O2/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3",C10H22O2,,,,,,ZQCIMPBZCZUDJM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.003,233-016-3,10021-55-3,"Sodium 2,5-dihydroxybenzenesulphonate","sodium 2,5-dihydroxybenzenesulfonate",[Na+].Oc1ccc(O)c(c1)S(=O)(=O)[O-],[Na+].Oc1ccc(O)c(c1)S(=O)(=O)[O-],"InChI=1/C6H6O5S.Na/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);/q;+1/p-1",C6H6O5S.Na,,,,,,KICVIQZBYBXLQD-UHFFFAOYSA-M,,,,,,,,,,,
100.030.009,233-023-1,10024-56-3,(Z)-1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl cinnamate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl 3-phenylacrylate,CC1=CCC(CC1)C(C)(C)OC(=O)\\C=C\\c2ccccc2,CC1=CCC(CC1)C(C)(C)OC(=O)\C=C\c2ccccc2,"InChI=1/C19H24O2/c1-15-9-12-17(13-10-15)19(2,3)21-18(20)14-11-16-7-5-4-6-8-16/h4-9,11,14,17H,10,12-13H2,1-3H3",C19H24O2,,,,,,CKYQZYGVFMSSKH-SDNWHVSQSA-N,,,,,,,,,,,
100.030.017,233-032-0,10024-97-2,Dinitrogen oxide,nitrogen oxide,[O-][N+]#N,[O-][N+]#N,InChI=1/N2O/c1-2-3,N2O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14445,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.017,GQPLMRYTRLFLPF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.018,233-033-6,10025-06-6,9-octadecenyl (Z)-N-methylaminoacetate,octadec-9-en-1-yl N-methylglycinate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CNC,CCCCCCCC\C=C/CCCCCCCCOC(=O)CNC,"InChI=1/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20-22-2/h10-11,22H,3-9,12-20H2,1-2H3",C21H41NO2,,,,,,CHBBKFAHPLPHBY-KHPPLWFESA-N,,,,,,,,,,,
100.030.026,233-042-5,10025-78-2,Trichlorosilane,trichlorosilane,Cl[SiH](Cl)Cl,Cl[SiH](Cl)Cl,InChI=1/Cl3HSi/c1-4(2)3/h4H,Cl3HSi,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15176,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.026,ZDHXKXAHOVTTAH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.027,233-043-0,10025-82-8,Indium trichloride,indium trichloride,[Cl-].[Cl-].[Cl-].[In+3],[Cl-].[Cl-].[Cl-].[In+3],InChI=1/3ClH.In/h3*1H;/q;;;+3/p-3,Cl3In,,,,,,PSCMQHVBLHHWTO-UHFFFAOYSA-K,,,,,,,,,,,
100.027.067,229-772-9,6720-16-7,2-nonylcrotonaldehyde,2-ethylideneundecanal,CCCCCCCCC\\C(=C/C)\\C=O,CCCCCCCCC\C(=C/C)\C=O,"InChI=1/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h4,12H,3,5-11H2,1-2H3",C13H24O,,,,,,UDHFJAGCBKZYMB-YIXHJXPBSA-N,,,,,,,,,,,
100.027.071,229-777-6,6725-72-0,Methyl phenyl terephthalate,methyl phenyl terephthalate,COC(=O)c1ccc(cc1)C(=O)Oc2ccccc2,COC(=O)c1ccc(cc1)C(=O)Oc2ccccc2,"InChI=1/C15H12O4/c1-18-14(16)11-7-9-12(10-8-11)15(17)19-13-5-3-2-4-6-13/h2-10H,1H3",C15H12O4,,,,,,BDVAPCAHRXXXOF-UHFFFAOYSA-N,,,,,,,,,,,
100.027.072,229-778-1,6728-26-3,trans-hex-2-enal,hex-2-enal,CCC\\C=C\\C=O,CCC\C=C\C=O,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3",C6H10O,,,,,,MBDOYVRWFFCFHM-SNAWJCMRSA-N,,,,,,,,,,,
100.027.076,229-782-3,6731-36-8,"Di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide","1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane",CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C,CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3",C17H34O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13187,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.076,NALFRYPTRXKZPN-UHFFFAOYSA-N,,,,,,,,,,,
100.027.085,229-792-8,6737-68-4,"1,4-bis[(2-methylphenyl)amino]anthraquinone","1,4-bis[(2-methylphenyl)amino]-9,10-anthraquinone",Cc1ccccc1Nc2ccc(Nc3ccccc3C)c4C(=O)c5ccccc5C(=O)c24,Cc1ccccc1Nc2ccc(Nc3ccccc3C)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C28H22N2O2/c1-17-9-3-7-13-21(17)29-23-15-16-24(30-22-14-8-4-10-18(22)2)26-25(23)27(31)19-11-5-6-12-20(19)28(26)32/h3-16,29-30H,1-2H3",C28H22N2O2,,,,,,OLJXWJUQRAOAMD-UHFFFAOYSA-N,,,,,,,,,,,
100.027.091,229-799-6,6739-48-6,"Disodium 3-[[4-[[4-[(2,4-diamino-5-nitrophenyl)azo]-m-tolyl]azo]-o-tolyl]azo]naphthalene-1,5-disulphonate","disodium 3-{[4-({4-[(2,4-diamino-5-nitrophenyl)diazenyl]-3-methylphenyl}diazenyl)-2-methylphenyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5cccc1c5cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2C)N=Nc4ccc(N=Nc3cc(c(N)cc3N)[N+]([O-])=O)c(C)c4,[Na+].[Na+].[O-]S(=O)(=O)c5cccc1c5cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2C)N=Nc4ccc(N=Nc3cc(c(N)cc3N)[N+]([O-])=O)c(C)c4,"InChI=1/C30H25N9O8S2.2Na/c1-16-10-18(33-34-19-7-9-26(17(2)11-19)37-38-27-15-28(39(40)41)24(32)14-23(27)31)6-8-25(16)36-35-20-12-22-21(30(13-20)49(45,46)47)4-3-5-29(22)48(42,43)44;;/h3-15H,31-32H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C30H25N9O8S2.2Na,,,,,,QFIKUDGWSLWELW-UHFFFAOYSA-L,,,,,,,,,,,
100.022.020,224-221-9,4253-34-3,Methylsilanetriyl triacetate,methylsilanetriyl triacetate,CC(=O)O[Si](C)(OC(=O)C)OC(=O)C,CC(=O)O[Si](C)(OC(=O)C)OC(=O)C,"InChI=1/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3",C7H12O6Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14400,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.020,TVJPBVNWVPUZBM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.024,224-226-6,4253-90-1,Di-tert-butyl trisulphide,di-tert-butyltrisulfane,CC(C)(C)SSSC(C)(C)C,CC(C)(C)SSSC(C)(C)C,"InChI=1/C8H18S3/c1-7(2,3)9-11-10-8(4,5)6/h1-6H3",C8H18S3,,,,,,NYLJHRUQFXQNPN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.027,224-229-2,8/02/4254,Cyclopentanecarbonitrile,cyclopentanecarbonitrile,N#CC1CCCC1,N#CC1CCCC1,"InChI=1/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H2",C6H9N,,,,,,SVPZJHKVRMRREG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.030,224-232-9,4255-94-1,"2,5-diethoxy-4-(morpholin-4-yl)benzenediazonium hexafluorophosphate","2,5-diethoxy-4-morpholin-4-ylbenzenediazonium hexafluorophosphate",CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.F[P-](F)(F)(F)(F)F,CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C14H20N3O3.F6P/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;1-7(2,3,4,5)6/h9-10H,3-8H2,1-2H3;/q+1;-1",C14H20N3O3.F6P,,,,,,NZVOTKLLJFYVOV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.035,224-238-1,4261-68-1,2-chloroethyldiisopropylammonium chloride,N-(2-chloroethyl)-N-isopropylpropan-2-aminium chloride,[Cl-].CC(C)[NH+](CCCl)C(C)C,[Cl-].CC(C)[NH+](CCCl)C(C)C,"InChI=1/C8H18ClN.ClH/c1-7(2)10(6-5-9)8(3)4;/h7-8H,5-6H2,1-4H3;1H",C8H18ClN.ClH,,,,,,IUSXYVRFJVAVOB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.041,224-244-4,4263-52-9,Sodium 2-bromoethanesulphonate,sodium 2-bromoethanesulfonate,[Na+].[O-]S(=O)(=O)CCBr,[Na+].[O-]S(=O)(=O)CCBr,"InChI=1/C2H5BrO3S.Na/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);/q;+1/p-1",C2H5BrO3S.Na,,,,,,HNFOAHXBHLWKNF-UHFFFAOYSA-M,,,,,,,,,,,
100.022.042,224-246-5,4264-83-9,Disodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,[Na+].[Na+].[O-][N+](=O)c1ccc(OP(=O)([O-])[O-])cc1,[Na+].[Na+].[O-][N+](=O)c1ccc(OP(=O)([O-])[O-])cc1,"InChI=1/C6H6NO6P.2Na/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;/h1-4H,(H2,10,11,12);;/q;2*+1/p-2",C6H6NO6P.2Na,,,,,,VIYFPAMJCJLZKD-UHFFFAOYSA-L,,,,,,,,,,,
100.022.047,224-251-2,4265-57-0,"3,3'-[methylenebis(thio)]bispropionic acid","3,3'-(methylenedisulfanediyl)dipropanoic acid",OC(=O)CCSCSCCC(=O)O,OC(=O)CCSCSCCC(=O)O,"InChI=1/C7H12O4S2/c8-6(9)1-3-12-5-13-4-2-7(10)11/h1-5H2,(H,8,9)(H,10,11)",C7H12O4S2,,,,,,KAHUZKHNNDOJNT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.058,224-263-8,4272-02-0,"Undecane-1,4-diol","undecane-1,4-diol",CCCCCCCC(O)CCCO,CCCCCCCC(O)CCCO,"InChI=1/C11H24O2/c1-2-3-4-5-6-8-11(13)9-7-10-12/h11-13H,2-10H2,1H3",C11H24O2,,,,,,OQDSNPMZDSAHIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.059,224-264-3,4/06/4272,Undecan-4-ol,undecan-4-ol,CCCCCCCC(O)CCC,CCCCCCCC(O)CCC,"InChI=1/C11H24O/c1-3-5-6-7-8-10-11(12)9-4-2/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,FNORHVDKJWGANC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.318,221-248-8,3042-84-0,Brompyrazon,5-amino-4-bromo-2-phenylpyridazin-3(2H)-one,NC1=C(Br)C(=O)N(N=C1)c2ccccc2,NC1=C(Br)C(=O)N(N=C1)c2ccccc2,"InChI=1/C10H8BrN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",C10H8BrN3O,,,,,,ODNZLRLWXRXPOH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.319,221-249-3,2/06/3044,Diethyl (1-ethoxyethylidene)malonate,diethyl (1-ethoxyethylidene)malonate,CCOC(=C(C(=O)OCC)C(=O)OCC)C,CCOC(=C(C(=O)OCC)C(=O)OCC)C,"InChI=1/C11H18O5/c1-5-14-8(4)9(10(12)15-6-2)11(13)16-7-3/h5-7H2,1-4H3",C11H18O5,,,,,,TWYCKMOLLPVQMA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.325,221-256-1,3047-59-4,Iron(2+) diformate,iron(2+) diformate,[Fe+2].[O-]C=O.[O-]C=O,[Fe+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Fe/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Fe,,,,,,PQQAOTNUALRVTE-UHFFFAOYSA-L,,,,,,,,,,,
100.019.327,221-258-2,9/01/3048,2-(trifluoromethyl)benzylamine,1-[2-(trifluoromethyl)phenyl]methanamine,NCc1ccccc1C(F)(F)F,NCc1ccccc1C(F)(F)F,"InChI=1/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2",C8H8F3N,,,,,,ZSKQIFWUTUZAGF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.332,221-264-5,3049-71-6,"2,9-bis[4-(phenylazo)phenyl]anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis[4-(phenyldiazenyl)phenyl]isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",O=C5c2ccc%11c1c(ccc(c12)C(=O)N5c4ccc(N=Nc3ccccc3)cc4)c6ccc%10c7c6c%11ccc7C(=O)N(c9ccc(N=Nc8ccccc8)cc9)C%10=O,O=C5c2ccc%11c1c(ccc(c12)C(=O)N5c4ccc(N=Nc3ccccc3)cc4)c6ccc%10c7c6c%11ccc7C(=O)N(c9ccc(N=Nc8ccccc8)cc9)C%10=O,InChI=1/C48H26N6O4/c55-45-37-23-19-33-35-21-25-39-44-40(48(58)54(47(39)57)32-17-13-30(14-18-32)52-50-28-9-5-2-6-10-28)26-22-36(42(35)44)34-20-24-38(43(37)41(33)34)46(56)53(45)31-15-11-29(12-16-31)51-49-27-7-3-1-4-8-27/h1-26H,C48H26N6O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11769,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.332,PXUJYZVHENREBB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.334,221-266-6,3051-09-0,"Ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate","ammonium 4,6-dioxo-5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)amino]-1,4,5,6-tetrahydropyrimidin-2-olate",[NH4+].[O-]C1=NC(=O)C(N=C2C(=O)NC(=O)NC2=O)C(=O)N1,[NH4+].[O-]C1=NC(=O)C(N=C2C(=O)NC(=O)NC2=O)C(=O)N1,"InChI=1/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h1H,(H2,10,11,14,15,18)(H2,12,13,16,17,19);1H3",C8H5N5O6.H3N,,,,,,CKUIXUMHBVWXEB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.075,218-781-3,2234-20-0,4-vinyl-m-xylene,"2,4-dimethyl-1-vinylbenzene",Cc1ccc(C=C)c(C)c1,Cc1ccc(C=C)c(C)c1,"InChI=1/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3",C10H12,,,,,,OEVVKKAVYQFQNV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.078,218-785-5,2234-82-4,Chloropropylmagnesium,chloro(propyl)magnesium,CCC[Mg]Cl,CCC[Mg]Cl,"InChI=1/C3H7.ClH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q;;+1/p-1/rC3H7ClMg/c1-2-3-5-4/h2-3H2,1H3",C3H7ClMg,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1781,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.078,AMXVKMXLDJXAPM-UHFFFAOYSA-M,,,,,,,,,,,
100.017.080,218-787-6,2235-00-9,1-vinylhexahydro-2H-azepin-2-one,1-vinylazepan-2-one,C=CN1CCCCCC1=O,C=CN1CCCCCC1=O,"InChI=1/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2",C8H13NO,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13517,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.080,JWYVGKFDLWWQJX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.082,218-789-7,3/12/2235,"Hexa-1,3,5-triene, mixed isomers","hexa-1,3,5-triene",C=CC=CC=C,C=CC=CC=C,"InChI=1/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2",C6H8,,,,,,AFVDZBIIBXWASR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.084,218-791-8,2235-43-0,"Pentasodium hydrogen C,C',C''-nitrilotris(methylphosphonate)",pentasodium [{[(hydroxyphosphinato)methyl]imino}bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].[Na+].OP(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].OP(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.5Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;/q;5*+1/p-5",C3H12NO9P3.5Na,,,,,,OSBMVGFXROCQIZ-UHFFFAOYSA-I,,,,,,,,,,,
100.017.085,218-792-3,2235-46-3,"N,N-diethyl-3-oxobutyramide","N,N-diethyl-3-oxobutanamide",CCN(CC)C(=O)CC(=O)C,CCN(CC)C(=O)CC(=O)C,"InChI=1/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3",C8H15NO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5909,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.085,NTMXFHGYWJIAAE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.086,218-793-9,2235-54-3,Ammonium dodecyl sulphate,ammonium dodecyl sulfate,[NH4+].CCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C12H26O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);1H3",C12H26O4S.H3N,,,,,,BTBJBAZGXNKLQC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.088,218-796-5,3/01/2236,Acetonyltriphenylphosphonium bromide,(2-oxopropyl)(triphenyl)phosphonium bromide,[Br-].CC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H20OP.BrH/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,17H2,1H3;1H/q+1;/p-1",C21H20OP.Br,,,,,,KZBWHCFTAAHIJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.017.098,218-806-8,2240-25-7,5-bromocytosine,4-amino-5-bromopyrimidin-2(1H)-one,NC1=NC(=O)NC=C1Br,NC1=NC(=O)NC=C1Br,"InChI=1/C4H4BrN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)",C4H4BrN3O,,,,,,QFVKLKDEXOWFSL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.101,218-809-4,2243-32-5,Pentamethylbenzoic acid,pentamethylbenzoic acid,Cc1c(C)c(C)c(C(=O)O)c(C)c1C,Cc1c(C)c(C)c(C(=O)O)c(C)c1C,"InChI=1/C12H16O2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3,(H,13,14)",C12H16O2,,,,,,MNLKGWIYXCKWBU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.483,222-530-3,3520-72-7,"4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one]","4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)",C/C6=N/N(c1ccccc1)C(=O)C6N=Nc2ccc(cc2Cl)c5ccc(N=NC4C(\\C)=N/N(c3ccccc3)C4=O)c(Cl)c5,C/C6=N/N(c1ccccc1)C(=O)C6N=Nc2ccc(cc2Cl)c5ccc(N=NC4C(\C)=N/N(c3ccccc3)C4=O)c(Cl)c5,"InChI=1/C32H24Cl2N8O2/c1-19-29(31(43)41(39-19)23-9-5-3-6-10-23)37-35-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)36-38-30-20(2)40-42(32(30)44)24-11-7-4-8-12-24/h3-18,29-30H,1-2H3",C32H24Cl2N8O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15775,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.483,HKYYDLYCGBDWSB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.487,222-535-0,3521-91-3,Hept-1-en-4-ol,hept-1-en-4-ol,CCCC(O)CC=C,CCCC(O)CC=C,"InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3,7-8H,1,4-6H2,2H3",C7H14O,,,,,,AQTUHJABKZECGA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.489,222-537-1,3522-94-9,"2,2,5-trimethylhexane","2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,CC(C)CCC(C)(C)C,"InChI=1/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3",C9H20,,,,,,HHOSMYBYIHNXNO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.252,224-476-6,4376-18-5,Methyl hydrogen phthalate,2-(methoxycarbonyl)benzoic acid,COC(=O)c1ccccc1C(=O)O,COC(=O)c1ccccc1C(=O)O,"InChI=1/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)",C9H8O4,,,,,,FNJSWIPFHMKRAT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.253,224-477-1,4376-20-9,(2-ethylhexyl) hydrogen phthalate,2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid,CCCCC(CC)COC(=O)c1ccccc1C(=O)O,CCCCC(CC)COC(=O)c1ccccc1C(=O)O,"InChI=1/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)",C16H22O4,,,,,,DJDSLBVSSOQSLW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.263,224-488-1,5/05/4383,3-methoxysalicyl alcohol,2-(hydroxymethyl)-6-methoxyphenol,COc1cccc(CO)c1O,COc1cccc(CO)c1O,"InChI=1/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3",C8H10O3,,,,,,OSZHSESNQIMXMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.265,224-490-2,4384-81-0,Sodium dithiocarbamate,sodium dithiocarbamate,[Na+].NC(=S)[S-],[Na+].NC(=S)[S-],"InChI=1/CH3NS2.Na/c2-1(3)4;/h(H3,2,3,4);/q;+1/p-1",CH3NS2.Na,,,,,,GWQWBFBJCRDINE-UHFFFAOYSA-M,,,,,,,,,,,
100.019.323,221-254-0,3047-32-3,3-ethyloxetane-3-methanol,(3-ethyloxetan-3-yl)methanol,CCC1(CO)COC1,CCC1(CO)COC1,"InChI=1/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3",C6H12O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11336,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.323,UNMJLQGKEDTEKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.326,221-257-7,3047-74-3,Phenylsilanetriol,phenylsilanetriol,O[Si](O)(O)c1ccccc1,O[Si](O)(O)c1ccccc1,"InChI=1/C6H8O3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5,7-9H",C6H8O3Si,,,,,,FCVNATXRSJMIDT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.330,221-261-9,3049-24-9,Diphenyl phenylphosphonate,diphenyl phenylphosphonate,O=P(Oc1ccccc1)(Oc2ccccc2)c3ccccc3,O=P(Oc1ccccc1)(Oc2ccccc2)c3ccccc3,"InChI=1/C18H15O3P/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H",C18H15O3P,,,,,,CDOMXXVCZQOOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.331,221-262-4,3049-31-8,"1,4-phenylene bismethacrylate","1,4-phenylene bis(2-methylacrylate)",CC(=C)C(=O)Oc1ccc(OC(=O)C(=C)C)cc1,CC(=C)C(=O)Oc1ccc(OC(=O)C(=C)C)cc1,"InChI=1/C14H14O4/c1-9(2)13(15)17-11-5-7-12(8-6-11)18-14(16)10(3)4/h5-8H,1,3H2,2,4H3",C14H14O4,,,,,,MDMKOESKPAVFJF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.340,221-272-9,3053-18-7,"2-Picolinium, 1-[(4-amino-2-propyl-5-pyrimidinyl)methyl]-, chloride, hydrochloride",1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridinium chloride hydrochloride,Cl.[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1,Cl.[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1,"InChI=1/C14H19N4.2ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1",C14H19N4.xClH.Cl,,,,,,PJBQYZZKGNOKNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.019.345,221-278-1,3055-86-5,3-phenoxypropiononitrile,3-phenoxypropanenitrile,N#CCCOc1ccccc1,N#CCCOc1ccccc1,"InChI=1/C9H9NO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2",C9H9NO,,,,,,IXAUFLAHUXISCH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.347,221-280-2,3055-94-5,2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethanol,2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethanol,CCCCCCCCCCCCOCCOCCOCCO,CCCCCCCCCCCCOCCOCCOCCO,"InChI=1/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3",C18H38O4,,,,,,FKMHSNTVILORFA-UHFFFAOYSA-N,Positive,LIT00014,,,90:133:319,Literature_Specs,,,,,
100.019.351,221-284-4,3055-99-0,"3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol","3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3",C30H62O10,,,,,,ONJQDTZCDSESIW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.353,221-287-0,3056-33-5,"N-(9-acetyl-6,9-dihydro-6-oxo-1H-purin-2-yl)acetamide","N-(9-acetyl-6-oxo-6,9-dihydro-1H-purin-2-yl)acetamide",CC(=O)NC1=Nc2c(ncn2C(=O)C)C(=O)N1,CC(=O)NC1=Nc2c(ncn2C(=O)C)C(=O)N1,"InChI=1/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17)",C9H9N5O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17740,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.353,GILZZWCROUGLIS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.691,217-259-2,1792-40-1,2-methyl-5-nitro-1H-benzimidazole,2-methyl-5-nitro-1H-benzimidazole,Cc1nc2cc(ccc2[nH]1)[N+](=O)[O-],Cc1nc2cc(ccc2[nH]1)[N+](=O)[O-],"InChI=1/C8H7N3O2/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5/h2-4H,1H3,(H,9,10)",C8H7N3O2,,,,,,RKRXTVLCZDPERO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.696,217-265-5,1794-84-9,Chloronitromethane,chloro(nitro)methane,[O-][N+](=O)CCl,[O-][N+](=O)CCl,InChI=1/CH2ClNO2/c2-1-3(4)5/h1H2,CH2ClNO2,,,,,,CGKPGVZMSKVVOF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.698,217-267-6,1795-01-3,3-ethylthiophene,3-ethylthiophene,CCc1ccsc1,CCc1ccsc1,"InChI=1/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3",C6H8S,,,,,,SLDBAXYJAIRQMX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.704,217-273-9,1795-17-1,Dodecylcyclohexane,dodecylcyclohexane,CCCCCCCCCCCCC1CCCCC1,CCCCCCCCCCCCC1CCCCC1,"InChI=1/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3",C18H36,,,,,,BLRBGKYYWDBAQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.711,217-281-2,1797-74-6,Allyl phenylacetate,allyl phenylacetate,C=CCOC(=O)Cc1ccccc1,C=CCOC(=O)Cc1ccccc1,"InChI=1/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2",C11H12O2,,,,,,ZCDYAMJXVAUTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.713,217-283-3,1798-11-4,4-nitrophenoxyacetic acid,(4-nitrophenoxy)acetic acid,OC(=O)COc1ccc(cc1)[N+](=O)[O-],OC(=O)COc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)",C8H7NO5,,,,,,AVDLFIONKHGQAP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.714,217-284-9,1798-50-1,"a,a-diphenylpiperidine-4-methanol hydrochloride",diphenyl(piperidin-4-yl)methanol hydrochloride,Cl.OC(C1CCNCC1)(c2ccccc2)c3ccccc3,Cl.OC(C1CCNCC1)(c2ccccc2)c3ccccc3,"InChI=1/C18H21NO.ClH/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;/h1-10,17,19-20H,11-14H2;1H",C18H21NO.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11543,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.714,LBRAWKGGVUCSOX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.716,217-287-5,1799-84-4,"3,3,4,4,5,5,6,6,6-nonafluorohexyl methacrylate","3,3,4,4,5,5,6,6,6-nonafluorohexyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H9F9O2/c1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3",C10H9F9O2,,,,,,TYNRPOFACABVSI-UHFFFAOYSA-N,,,,,,,,,,,
100.027.092,229-801-5,6739-62-4,"Trisodium 2-[[2-amino-6-[[4'-[(3-carboxylato-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-7-sulphonato-1-naphthyl]azo]-5-nitrobenzoate","trisodium 2-{[2-amino-6-({4'-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-hydroxy-7-sulfonato-1-naphthyl]diazenyl}-5-nitrobenzoate",[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2c(N=Nc1ccc(cc1C([O-])=O)[N+]([O-])=O)c(N)ccc2c3O)S([O-])(=O)=O)c6ccc(N=Nc5cc(C([O-])=O)c(O)cc5)c(OC)c6,[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2c(N=Nc1ccc(cc1C([O-])=O)[N+]([O-])=O)c(N)ccc2c3O)S([O-])(=O)=O)c6ccc(N=Nc5cc(C([O-])=O)c(O)cc5)c(OC)c6,"InChI=1/C38H28N8O13S.3Na/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50;;;/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57);;;/q;3*+1/p-3",C38H28N8O13S.3Na,,,,,,QVYIFFPJPCUTHF-UHFFFAOYSA-K,,,,,,,,,,,
100.027.100,229-809-9,6749-73-1,Tris[2-chloro-1-(chloromethyl)ethyl)] phosphite,tris[2-chloro-1-(chloromethyl)ethyl] phosphite,ClCC(CCl)OP(OC(CCl)CCl)OC(CCl)CCl,ClCC(CCl)OP(OC(CCl)CCl)OC(CCl)CCl,"InChI=1/C9H15Cl6O3P/c10-1-7(2-11)16-19(17-8(3-12)4-13)18-9(5-14)6-15/h7-9H,1-6H2",C9H15Cl6O3P,,,,,,ZAEFNQVGOJSYDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.111,229-821-4,6763-93-5,Ethyl hexahydro-1H-azepine-1-propionate,ethyl 3-azepan-1-ylpropanoate,CCOC(=O)CCN1CCCCCC1,CCOC(=O)CCN1CCCCCC1,"InChI=1/C11H21NO2/c1-2-14-11(13)7-10-12-8-5-3-4-6-9-12/h2-10H2,1H3",C11H21NO2,,,,,,PMJXFMISXSNVBR-UHFFFAOYSA-N,,,,,,,,,,,
100.027.112,229-823-5,6764-27-8,Sodium 2-[4-(2-cyanoacetamido)phenyl]-6-methylbenzothiazole-7-sulphonate,"sodium 2-{4-[(cyanoacetyl)amino]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc(NC(=O)CC#N)cc3,[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc(NC(=O)CC#N)cc3,"InChI=1/C17H13N3O4S2.Na/c1-10-2-7-13-15(16(10)26(22,23)24)25-17(20-13)11-3-5-12(6-4-11)19-14(21)8-9-18;/h2-7H,8H2,1H3,(H,19,21)(H,22,23,24);/q;+1/p-1",C17H13N3O4S2.Na,,,,,,FVBBIANRIRKAOK-UHFFFAOYSA-M,,,,,,,,,,,
100.026.647,229-311-1,6471-31-4,N-(4-aminophenyl)-N-ethylbenzamide,N-(4-aminophenyl)-N-ethylbenzamide,CCN(C(=O)c1ccccc1)c2ccc(N)cc2,CCN(C(=O)c1ccccc1)c2ccc(N)cc2,"InChI=1/C15H16N2O/c1-2-17(14-10-8-13(16)9-11-14)15(18)12-6-4-3-5-7-12/h3-11H,2,16H2,1H3",C15H16N2O,,,,,,AODKHJGVTCIHMR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.648,229-312-7,6471-46-1,1-[(3-nitrophenyl)azo]-2-naphthol,1-[(3-nitrophenyl)diazenyl]-2-naphthol,[O-][N+](=O)c1cccc(c1)N=Nc2c3ccccc3ccc2O,[O-][N+](=O)c1cccc(c1)N=Nc2c3ccccc3ccc2O,"InChI=1/C16H11N3O3/c20-15-9-8-11-4-1-2-7-14(11)16(15)18-17-12-5-3-6-13(10-12)19(21)22/h1-10,20H",C16H11N3O3,,,,,,IKTQBBCZGHFCLF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.651,229-315-3,6471-51-8,N-(4-chloro-2-methylphenyl)-4-[(4-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide,N-(4-chloro-2-methylphenyl)-4-[(4-chloro-2-methylphenyl)diazenyl]-3-hydroxy-2-naphthamide,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(Cl)cc1C)c2O)cc4,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(Cl)cc1C)c2O)cc4,"InChI=1/C25H19Cl2N3O2/c1-14-11-17(26)7-9-21(14)28-25(32)20-13-16-5-3-4-6-19(16)23(24(20)31)30-29-22-10-8-18(27)12-15(22)2/h3-13,31H,1-2H3,(H,28,32)",C25H19Cl2N3O2,,,,,,KWORKYDIARWARF-UHFFFAOYSA-N,,,,,,,,,,,
100.026.652,229-316-9,6471-66-5,Benzyl nonan-1-oate,benzyl nonanoate,CCCCCCCCC(=O)OCc1ccccc1,CCCCCCCCC(=O)OCc1ccccc1,"InChI=1/C16H24O2/c1-2-3-4-5-6-10-13-16(17)18-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3",C16H24O2,,,,,,KVIQEJMWUXBBQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.654,229-319-5,6471-78-9,5-methoxy-2-methylsulphanilic acid,4-amino-5-methoxy-2-methylbenzenesulfonic acid,COc1cc(c(C)cc1N)S(=O)(=O)O,COc1cc(c(C)cc1N)S(=O)(=O)O,"InChI=1/C8H11NO4S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)",C8H11NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17675,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.654,JBAVAJIXZVRJHT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.656,229-321-6,6472-50-0,"Disodium 4,4'-bis[(2-hydroxy-1-naphthyl)azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate","disodium 4,4'-bis[(2-hydroxy-1-naphthyl)diazenyl]-5,5'-dimethylbiphenyl-2,2'-disulfonate",[Na+].[Na+].Oc6ccc1ccccc1c6N=Nc2cc(c(cc2C)c3cc(C)c(cc3S([O-])(=O)=O)N=Nc4c5ccccc5ccc4O)S([O-])(=O)=O,[Na+].[Na+].Oc6ccc1ccccc1c6N=Nc2cc(c(cc2C)c3cc(C)c(cc3S([O-])(=O)=O)N=Nc4c5ccccc5ccc4O)S([O-])(=O)=O,"InChI=1/C34H26N4O8S2.2Na/c1-19-15-25(31(47(41,42)43)17-27(19)35-37-33-23-9-5-3-7-21(23)11-13-29(33)39)26-16-20(2)28(18-32(26)48(44,45)46)36-38-34-24-10-6-4-8-22(24)12-14-30(34)40;;/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H26N4O8S2.2Na,,,,,,UGKYHIDHUKJFGV-UHFFFAOYSA-L,,,,,,,,,,,
100.026.658,229-323-7,6472-75-9,"16,17-diethoxyviolanthrene-5,10-dione","16,17-diethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",CCOc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(OCC)c(c1c5c24)c6c79,CCOc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(OCC)c(c1c5c24)c6c79,"InChI=1/C38H24O4/c1-3-41-29-17-27-19-9-5-7-11-23(19)37(39)25-15-13-21-22-14-16-26-32-28(20-10-6-8-12-24(20)38(26)40)18-30(42-4-2)36(34(22)32)35(29)33(21)31(25)27/h5-18H,3-4H2,1-2H3",C38H24O4,,,,,,SCEODNGKLXPLHE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.335,221-267-1,4/11/3051,"Sodium 4,4'-bis(p-hydroxyphenylazo)-2,2'-vinylenedibenzenesulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-hydroxyphenyl)diazenyl]benzenesulfonate}",Oc1ccc(cc1)N=Nc2ccc(C=Cc3ccc(cc3S(=O)(=O)O[Na])N=Nc4ccc(O)cc4)c(c2)S(=O)(=O)O[Na],Oc1ccc(cc1)N=Nc2ccc(C=Cc3ccc(cc3S(=O)(=O)O[Na])N=Nc4ccc(O)cc4)c(c2)S(=O)(=O)O[Na],"InChI=1/C26H20N4O8S2.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/rC26H18N4Na2O8S2/c31-39-41(35,36)25-15-21(29-27-19-7-11-23(33)12-8-19)5-3-17(25)1-2-18-4-6-22(16-26(18)42(37,38)40-32)30-28-20-9-13-24(34)14-10-20/h1-16,33-34H",C26H20N4O8S2.2Na,,,,,,YLDIUICHQPKMNH-UHFFFAOYSA-L,,,,,,,,,,,
100.019.339,221-271-3,3052-50-4,Methyl hydrogen maleate,4-methoxy-4-oxobut-2-enoic acid,COC(=O)\\C=C/C(=O)O,COC(=O)\C=C/C(=O)O,"InChI=1/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)",C5H6O4,,,,,,NKHAVTQWNUWKEO-IHWYPQMZSA-N,,,,,,,,,,,
100.019.342,221-275-5,3054-47-5,S-acetylglutathione,gamma-glutamyl-S-acetylcysteinylglycine,CC(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,CC(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,"InChI=1/C12H19N3O7S/c1-6(16)23-5-8(11(20)14-4-10(18)19)15-9(17)3-2-7(13)12(21)22/h7-8H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)",C12H19N3O7S,,,,,,FVRWSIPJNWXCEO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.343,221-276-0,3054-95-3,"3,3-diethoxypropene","3,3-diethoxyprop-1-ene",CCOC(OCC)C=C,CCOC(OCC)C=C,"InChI=1/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3",C7H14O2,,,,,,MCIPQLOKVXSHTD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.348,221-281-8,3055-95-6,"3,6,9,12,15-pentaoxaheptacosan-1-ol","3,6,9,12,15-pentaoxaheptacosan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCOCCOCCOCCOCCOCCO,"InChI=1/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3",C22H46O6,,,,,,LAPRIVJANDLWOK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.352,221-286-5,3056-00-6,"3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracontan-1-ol","3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracontan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C36H74O13/c1-2-3-4-5-6-7-8-9-10-11-13-38-15-17-40-19-21-42-23-25-44-27-29-46-31-33-48-35-36-49-34-32-47-30-28-45-26-24-43-22-20-41-18-16-39-14-12-37/h37H,2-36H2,1H3",C36H74O13,,,,,,WMPGRAUYWYBJKX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.359,221-293-3,3/01/3058,3-methyladipic acid,3-methylhexanedioic acid,CC(CCC(=O)O)CC(=O)O,CC(CCC(=O)O)CC(=O)O,"InChI=1/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)",C7H12O4,,,,,,SYEOWUNSTUDKGM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.689,217-257-1,1790-25-6,Dibutoxytitanium dichloride,dibutoxytitanium dichloride,[Cl-].[Cl-].CCCCO[Ti]OCCCC.CCCCO[Ti]OCCCC,[Cl-].[Cl-].CCCCO[Ti]OCCCC.CCCCO[Ti]OCCCC,"InChI=1/4C4H9O.2ClH.2Ti/c4*1-2-3-4-5;;;;/h4*2-4H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2/r2C8H18O2Ti.2ClH/c2*1-3-5-7-9-11-10-8-6-4-2;;/h2*3-8H2,1-2H3;2*1H/p-2",C8H18Cl2O2Ti,,,,,,OVERSARYPZQARK-UHFFFAOYSA-L,,,,,,,,,,,
100.015.692,217-260-8,1793-10-8,Triisopentyl citrate,tris(3-methylbutyl) citrate,CC(C)CCOC(=O)CC(O)(CC(=O)OCCC(C)C)C(=O)OCCC(C)C,CC(C)CCOC(=O)CC(O)(CC(=O)OCCC(C)C)C(=O)OCCC(C)C,"InChI=1/C21H38O7/c1-15(2)7-10-26-18(22)13-21(25,20(24)28-12-9-17(5)6)14-19(23)27-11-8-16(3)4/h15-17,25H,7-14H2,1-6H3",C21H38O7,,,,,,ZGJMYWFCNCIEFN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.693,217-261-3,1793-68-6,2-[bis(2-hydroxyethyl)amino]ethyl laurate,2-[bis(2-hydroxyethyl)amino]ethyl laurate,CCCCCCCCCCCC(=O)OCCN(CCO)CCO,CCCCCCCCCCCC(=O)OCCN(CCO)CCO,"InChI=1/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-18(22)23-17-14-19(12-15-20)13-16-21/h20-21H,2-17H2,1H3",C18H37NO4,,,,,,WGDZQINGRJYRHS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.699,217-268-1,1795-04-6,"2,3,4-trimethylthiophene","2,3,4-trimethylthiophene",Cc1csc(C)c1C,Cc1csc(C)c1C,"InChI=1/C7H10S/c1-5-4-8-7(3)6(5)2/h4H,1-3H3",C7H10S,,,,,,MAVVDCDMBKFUES-UHFFFAOYSA-N,,,,,,,,,,,
100.015.702,217-271-8,1795-15-9,Octylcyclohexane,octylcyclohexane,CCCCCCCCC1CCCCC1,CCCCCCCCC1CCCCC1,"InChI=1/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3",C14H28,,,,,,FBXWCEKQCVOOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.705,217-274-4,1795-18-2,Tetradecylcyclohexane,tetradecylcyclohexane,CCCCCCCCCCCCCCC1CCCCC1,CCCCCCCCCCCCCCC1CCCCC1,"InChI=1/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h20H,2-19H2,1H3",C20H40,,,,,,NQAVPKIJZCHUNS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.708,217-278-6,1795-96-6,Ethyl 3-phenyl-DL-alaninate,ethyl L-phenylalaninate,CCOC(=O)[C@@H](N)Cc1ccccc1,CCOC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C11H15NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3",C11H15NO2,,,,,,CJGXMNONHNZEQQ-JTQLQIEISA-N,,,,,,,,,,,
100.015.715,217-285-4,1798-60-3,(R)-1-hydroxy-1-phenylacetone,1-hydroxy-1-phenylacetone,CC(=O)[C@H](O)c1ccccc1,CC(=O)[C@H](O)c1ccccc1,"InChI=1/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3",C9H10O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7941,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.715,ZBFFNPODXBJBPW-VIFPVBQESA-N,,,,,,,,,,,
100.015.718,217-289-6,1801-10-1,m-(trifluoromethyl)benzamide,3-(trifluoromethyl)benzamide,NC(=O)c1cccc(c1)C(F)(F)F,NC(=O)c1cccc(c1)C(F)(F)F,"InChI=1/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)",C8H6F3NO,,,,,,XBGXGCOLWCMVOI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.269,224-494-4,4385-56-2,"4-hydroxy-3,5-dimethoxyphenylacetic acid","(4-hydroxy-3,5-dimethoxyphenyl)acetic acid",COc1cc(CC(=O)O)cc(OC)c1O,COc1cc(CC(=O)O)cc(OC)c1O,"InChI=1/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12)",C10H12O5,,,,,,BQBQKSSTFGCRQL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.272,224-498-6,4386-35-0,Meralein sodium,"sodium hydroxy[6-hydroxy-2,7-diiodo-3-oxo-9-(2-sulfonatophenyl)-3H-xanthen-5-yl]mercury",[Na+].O[Hg]c1c(O)c(I)cc2C(=C3C=C(I)C(=O)C=C3Oc12)c4ccccc4S(=O)(=O)[O-],[Na+].O[Hg]c1c(O)c(I)cc2C(=C3C=C(I)C(=O)C=C3Oc12)c4ccccc4S(=O)(=O)[O-],"InChI=1/C19H9I2O6S.Hg.Na.H2O/c20-12-5-10-16(7-14(12)22)27-17-8-15(23)13(21)6-11(17)19(10)9-3-1-2-4-18(9)28(24,25)26;;;/h1-7,23H,(H,24,25,26);;;1H2/q;2*+1;/p-2/rC19H10HgI2O7S.Na/c21-11-5-9-14(7-13(11)23)29-19-10(6-12(22)18(24)17(19)20-25)16(9)8-3-1-2-4-15(8)30(26,27)28;/h1-7,24-25H,(H,26,27,28);/q;+1/p-1",C19H10HgI2O7S.Na,,,,,,PSYNJJKJZHMFTR-UHFFFAOYSA-L,,,,,,,,,,,
100.022.273,224-499-1,4386-39-4,2-acetoxy-m-toluic acid,2-acetoxy-3-methylbenzoic acid,CC(=O)Oc1c(C)cccc1C(=O)O,CC(=O)Oc1c(C)cccc1C(=O)O,"InChI=1/C10H10O4/c1-6-4-3-5-8(10(12)13)9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)",C10H10O4,,,,,,XRBMKGUDDJPAMH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.278,224-504-7,4388-82-3,Barbexaclone,"5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione - 1-cyclohexyl-N-methylpropan-2-amine (1:1)",CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CN[C@@H](C)CC3CCCCC3,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CN[C@@H](C)CC3CCCCC3,"InChI=1/C12H12N2O3.C10H21N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3",C12H12N2O3.C10H21N,,,,,,MJCBWPMBFCUHBP-NPULLEENSA-N,,,,,,,,,,,
100.022.290,224-517-8,2/05/4394,Nixylic acid,"2-[(2,3-dimethylphenyl)amino]nicotinic acid",Cc1cccc(Nc2ncccc2C(=O)O)c1C,Cc1cccc(Nc2ncccc2C(=O)O)c1C,"InChI=1/C14H14N2O2/c1-9-5-3-7-12(10(9)2)16-13-11(14(17)18)6-4-8-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)",C14H14N2O2,,,,,,XEQIPELDMSEBJG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.291,224-518-3,4394-85-8,4-morpholinecarbaldehyde,morpholine-4-carbaldehyde,O=CN1CCOCC1,O=CN1CCOCC1,"InChI=1/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2",C5H9NO2,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11158,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.291,LCEDQNDDFOCWGG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.298,224-526-7,4397-15-3,a-[[(2-hydroxyethyl)amino]methyl]benzyl alcohol,2-[(2-hydroxyethyl)amino]-1-phenylethanol,OCCNCC(O)c1ccccc1,OCCNCC(O)c1ccccc1,"InChI=1/C10H15NO2/c12-7-6-11-8-10(13)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2",C10H15NO2,,,,,,LHUDRSNXNPORPA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.302,224-530-9,4399-47-7,Bromocyclobutane,bromocyclobutane,BrC1CCC1,BrC1CCC1,"InChI=1/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2",C4H7Br,,,,,,KXVUSQIDCZRUKF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.303,224-531-4,4399-55-7,"Tetrasodium 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-6-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 3-{[4-({4-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc7ccc(N=Nc5ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)c6ccccc67,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc7ccc(N=Nc5ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)c6ccccc67,"InChI=1/C40H27N7O13S4.4Na/c41-22-8-10-25-21(16-22)17-38(64(58,59)60)39(40(25)48)47-46-35-15-14-34(28-11-9-24(20-30(28)35)61(49,50)51)45-44-33-13-12-32(26-4-1-2-5-27(26)33)43-42-23-18-31-29(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54;;;;/h1-20,48H,41H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4",C40H27N7O13S4.4Na,,,,,,QTTDXDAWQMDLOF-UHFFFAOYSA-J,,,,,,,,,,,
100.022.307,224-536-1,4402-30-6,"1,1'-(methylimino)dipropan-2-ol","1,1'-(methylimino)dipropan-2-ol",CC(O)CN(C)CC(C)O,CC(O)CN(C)CC(C)O,"InChI=1/C7H17NO2/c1-6(9)4-8(3)5-7(2)10/h6-7,9-10H,4-5H2,1-3H3",C7H17NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10833,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.307,XKQMKMVTDKYWOX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.309,224-538-2,4403-07-0,"2,2',2''-(1,3,5-triazine-2,4,6-triyltriimino)trisethanol","2,2',2''-(1,3,5-triazine-2,4,6-triyltriimino)triethanol",OCCNc1nc(NCCO)nc(NCCO)n1,OCCNc1nc(NCCO)nc(NCCO)n1,"InChI=1/C9H18N6O3/c16-4-1-10-7-13-8(11-2-5-17)15-9(14-7)12-3-6-18/h16-18H,1-6H2,(H3,10,11,12,13,14,15)",C9H18N6O3,,,,,,MNGSQDSFUODZAR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.312,224-541-9,4403-20-7,"1,6-diphenylhexa-1,5-diene-3,4-diol","1,6-diphenylhexa-1,5-diene-3,4-diol",OC(C=Cc1ccccc1)C(O)C=Cc2ccccc2,OC(C=Cc1ccccc1)C(O)C=Cc2ccccc2,"InChI=1/C18H18O2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-14,17-20H",C18H18O2,,,,,,AVIIWHKOUNFPIY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.315,224-545-0,4403-89-8,"Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate","sodium 2-[(4-amino-3-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzenesulfonate",[Na+].Cc1ccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)[O-],[Na+].Cc1ccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)[O-],"InChI=1/C22H18N2O5S.Na/c1-11-7-8-15(17(9-11)30(27,28)29)24-16-10-12(2)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1",C22H18N2O5S.Na,,,,,,BADRBIXUSUCBEG-UHFFFAOYSA-M,,,,,,,,,,,
100.015.728,217-300-4,1806-23-1,2-chloro-4'-fluorobenzophenone,(2-chlorophenyl)(4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)c2ccccc2Cl,Fc1ccc(cc1)C(=O)c2ccccc2Cl,InChI=1/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H,C13H8ClFO,,,,,,DODIKYQYCCFWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.732,217-305-1,1806-54-8,Trioctyl phosphate,trioctyl phosphate,CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,"InChI=1/C24H51O4P/c1-4-7-10-13-16-19-22-26-29(25,27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51O4P,,,,,,WVPGXJOLGGFBCR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.599,249-075-3,28543-87-5,"5-[2-[5,6-dichloro-1-[2-(diethylamino)ethyl]-3-ethylbenzimidazolin-2-ylidene]ethylidene]-3-ethylrhodanine","5-(2-{5,6-dichloro-1-[2-(diethylamino)ethyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene}ethylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one",CCN(CC)CCN1C(=CC=C2SC(=S)N(CC)C2=O)N(CC)c3cc(Cl)c(Cl)cc13,CCN(CC)CCN1C(=CC=C2SC(=S)N(CC)C2=O)N(CC)c3cc(Cl)c(Cl)cc13,"InChI=1/C22H28Cl2N4OS2/c1-5-25(6-2)11-12-28-18-14-16(24)15(23)13-17(18)26(7-3)20(28)10-9-19-21(29)27(8-4)22(30)31-19/h9-10,13-14H,5-8,11-12H2,1-4H3",C22H28Cl2N4OS2,,,,,,BXMQENLBAUPBFK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.606,249-083-7,28562-53-0,2-oxoazetidinium 4-acetate,2-oxoazetidinium acetate,CC(=O)[O-].O=C1CC[NH2+]1,CC(=O)[O-].O=C1CC[NH2+]1,"InChI=1/C3H5NO.C2H4O2/c5-3-1-2-4-3;1-2(3)4/h1-2H2,(H,4,5);1H3,(H,3,4)",C5H7NO3,,,,,,MJLWTDHESLDDBB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.611,249-088-4,28575-17-9,Diethylbiphenyl,"2,2'-diethylbiphenyl",CCc1ccccc1c2ccccc2CC,CCc1ccccc1c2ccccc2CC,"InChI=1/C16H18/c1-3-13-9-5-7-11-15(13)16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3",C16H18,,,,,,VYVNYOJZPQVWHK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.615,249-093-1,28588-73-0,"3,3'-dithiobis[2,5-dimethylfuran]","3,3'-disulfanediylbis(2,5-dimethylfuran)",Cc1oc(C)c(SSc2cc(C)oc2C)c1,Cc1oc(C)c(SSc2cc(C)oc2C)c1,"InChI=1/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3",C12H14O2S2,,,,,,JDWCALSZHJBMIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.617,249-095-2,28588-75-2,"3,3'-dithiobis[2-methylfuran]","3,3'-disulfanediylbis(2-methylfuran)",Cc1occc1SSc2ccoc2C,Cc1occc1SSc2ccoc2C,"InChI=1/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3",C10H10O2S2,,,,,,OHDFENKFSKIFBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.380,243-334-4,19808-30-1,5-bromo-1H-pyrimidin-4-one,5-bromopyrimidin-4(1H)-one,BrC1=CNC=NC1=O,BrC1=CNC=NC1=O,"InChI=1/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)",C4H3BrN2O,,,,,,CLJIGLPOBRSBNU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.381,243-336-5,19810-04-9,"1-(2,4-dihydroxyphenyl)undecanone","1-(2,4-dihydroxyphenyl)undecan-2-one",CCCCCCCCCC(=O)Cc1ccc(O)cc1O,CCCCCCCCCC(=O)Cc1ccc(O)cc1O,"InChI=1/C17H26O3/c1-2-3-4-5-6-7-8-9-15(18)12-14-10-11-16(19)13-17(14)20/h10-11,13,19-20H,2-9,12H2,1H3",C17H26O3,,,,,,ZCDLYKFRHUMMOU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.388,243-343-3,19814-71-2,Di-m-tolyl ether,"1,1'-oxybis(3-methylbenzene)",Cc1cccc(Oc2cccc(C)c2)c1,Cc1cccc(Oc2cccc(C)c2)c1,"InChI=1/C14H14O/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10H,1-2H3",C14H14O,,,,,,FDLFMPKQBNPIER-UHFFFAOYSA-N,,,,,,,,,,,
100.039.392,243-348-0,19819-95-5,o-chlorophenethylic alcohol,2-(2-chlorophenyl)ethanol,OCCc1ccccc1Cl,OCCc1ccccc1Cl,"InChI=1/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2",C8H9ClO,,,,,,IWNHTCBFRSCBQK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.062,224-268-5,4272-77-9,5-(dimethylamino)naphthalene-1-sulphonic acid,5-(dimethylamino)naphthalene-1-sulfonic acid,CN(C)c1cccc2c(cccc12)S(=O)(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)O,"InChI=1/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)",C12H13NO3S,,,,,,BBEQQKBWUHCIOU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.069,224-275-3,4/07/4275,Butylideneaniline,N-butylideneaniline,CCCC=Nc1ccccc1,CCCC=Nc1ccccc1,"InChI=1/C10H13N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-9H,2-3H2,1H3",C10H13N,,,,,,LPXPSTWBTULMJE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.073,224-280-0,4277-34-3,Cyclooct-4-en-1-ol,cyclooct-4-en-1-ol,OC1CCCC=CCC1,OC1CCCC=CCC1,"InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2",C8H14O,,,,,,UCPDHOTYYDHPEN-UPHRSURJSA-N,,,,,,,,,,,
100.022.078,224-285-8,4282-40-0,1-iodoheptane,1-iodoheptane,CCCCCCCI,CCCCCCCI,"InChI=1/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3",C7H15I,,,,,,LMHCYRULPLGEEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.079,224-286-3,4282-42-2,1-iodononane,1-iodononane,CCCCCCCCCI,CCCCCCCCCI,"InChI=1/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3",C9H19I,,,,,,OGSJMFCWOUHXHN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.082,224-290-5,4289-92-3,"5-oxo-L-proline, compound with L-ornithine (1:1)",5-oxo-L-proline - L-ornithine (1:1),NCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,NCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H12N2O2.C5H7NO3/c6-3-1-2-4(7)5(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,6-7H2,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)",C5H12N2O2.C5H7NO3,,,,,,TYQDOIOMUGXJOC-WOYAITHZSA-N,,,,,,,,,,,
100.022.091,224-299-4,4294-45-5,Threo-3-hydroxy-DL-aspartic acid,3-hydroxyaspartic acid,O=C(O)C(N)[C@@H](O)C(O)=O,O=C(O)C(N)[C@@H](O)C(O)=O,"InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)",C4H7NO5,,,,,,YYLQUHNPNCGKJQ-RJIDHLEBSA-N,,,,,,,,,,,
100.026.660,229-325-8,7/04/6473,"Sodium 2,4-bis[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonate","sodium 2,4-bis({2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)benzenesulfonate",[Na+].Oc4c(ccc(O)c4N=Nc3cc(N=Nc2c(O)ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c2O)ccc3S([O-])(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O,[Na+].Oc4c(ccc(O)c4N=Nc3cc(N=Nc2c(O)ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c2O)ccc3S([O-])(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O,"InChI=1/C30H20N10O11S.Na/c41-24-12-10-21(34-31-16-1-6-19(7-2-16)39(45)46)29(43)27(24)37-33-18-5-14-26(52(49,50)51)23(15-18)36-38-28-25(42)13-11-22(30(28)44)35-32-17-3-8-20(9-4-17)40(47)48;/h1-15,41-44H,(H,49,50,51);/q;+1/p-1",C30H20N10O11S.Na,,,,,,YONHUHGFBGVHEL-UHFFFAOYSA-M,,,,,,,,,,,
100.026.662,229-327-9,6473-15-0,Trisodium 5-[[4-[[7-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-1-naphthyl]azo]salicylate,trisodium 5-{[4-({7-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-1-naphthyl]diazenyl}-2-hydroxybenzoate,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc7ccc(N=Nc5c(cc4ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)cc4c5O)S([O-])(=O)=O)c6ccccc67,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc7ccc(N=Nc5c(cc4ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)cc4c5O)S([O-])(=O)=O)c6ccccc67,"InChI=1/C37H25N7O11S2.3Na/c38-20-6-9-23-19(13-20)15-32(57(53,54)55)33(35(23)46)43-40-21-7-5-18-14-31(56(50,51)52)34(36(47)26(18)16-21)44-42-29-11-10-28(24-3-1-2-4-25(24)29)41-39-22-8-12-30(45)27(17-22)37(48)49;;;/h1-17,45-47H,38H2,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C37H25N7O11S2.3Na,,,,,,JVCDGUBEFXLBRU-UHFFFAOYSA-K,,,,,,,,,,,
100.026.671,229-337-3,6480-68-8,Quinoline-3-carboxylic acid,quinoline-3-carboxylic acid,OC(=O)c1cnc2ccccc2c1,OC(=O)c1cnc2ccccc2c1,"InChI=1/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)",C10H7NO2,,,,,,DJXNJVFEFSWHLY-UHFFFAOYSA-N,,,,,,,,,,,
100.026.674,229-341-5,6483-50-7,"1,4-diethylpiperazine","1,4-diethylpiperazine",CCN1CCN(CC)CC1,CCN1CCN(CC)CC1,"InChI=1/C8H18N2/c1-3-9-5-7-10(4-2)8-6-9/h3-8H2,1-2H3",C8H18N2,,,,,,DDPRYTUJYNYJKV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.678,229-345-7,6483-83-6,7-[[[[4-acetamidophenyl]amino]carbonyl]amino]-4-hydroxynaphthalene-2-sulphonic acid,7-{[(4-acetamidophenyl)carbamoyl]amino}-4-hydroxynaphthalene-2-sulfonic acid,CC(=O)Nc1ccc(NC(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1,CC(=O)Nc1ccc(NC(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1,"InChI=1/C19H17N3O6S/c1-11(23)20-13-2-4-14(5-3-13)21-19(25)22-15-6-7-17-12(8-15)9-16(10-18(17)24)29(26,27)28/h2-10,24H,1H3,(H,20,23)(H2,21,22,25)(H,26,27,28)",C19H17N3O6S,,,,,,ZVUFRADFUYQPMB-UHFFFAOYSA-N,,,,,,,,,,,
100.026.686,229-354-6,6486-21-1,2-[(4-methoxy-2-nitrophenyl)azo]acetoacetanilide,2-[(4-methoxy-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide,COc2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1)c(c2)[N+]([O-])=O,COc2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1)c(c2)[N+]([O-])=O,"InChI=1/C17H16N4O5/c1-11(22)16(17(23)18-12-6-4-3-5-7-12)20-19-14-9-8-13(26-2)10-15(14)21(24)25/h3-10,16H,1-2H3,(H,18,23)",C17H16N4O5,,,,,,UQVOMHJSPSUJQA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.167,233-197-9,10061-11-7,"4,5-dihydro-2-(1-naphthylmethyl)-1H-imidazolium nitrate","2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazol-1-ium nitrate",[O-][N+](=O)[O-].C(C1=NCC[NH2+]1)c2cccc3ccccc23,[O-][N+](=O)[O-].C(C1=NCC[NH2+]1)c2cccc3ccccc23,"InChI=1/C14H14N2.NO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);/q;-1/p+1",C14H14N2.xHNO3,,,,,,HZVHPACMMGWUIV-UHFFFAOYSA-O,,,,,,,,,,,
100.030.169,233-200-3,10061-68-4,"N,N'-diethylpropane-1,3-diamine","N,N'-diethylpropane-1,3-diamine",CCNCCCNCC,CCNCCCNCC,"InChI=1/C7H18N2/c1-3-8-6-5-7-9-4-2/h8-9H,3-7H2,1-2H3",C7H18N2,,,,,,BEPGHZIEOVULBU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.179,233-211-3,10076-48-9,"Methyl 2,2-dimethoxypropionate","methyl 2,2-dimethoxypropanoate",COC(=O)C(C)(OC)OC,COC(=O)C(C)(OC)OC,"InChI=1/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3",C6H12O4,,,,,,KHQQDBIXHUJARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.185,233-218-1,10088-50-3,[2-[(chloromethyl)phenyl]ethyl]triethoxysilane,{2-[2-(chloromethyl)phenyl]ethyl}(triethoxy)silane,CCO[Si](CCc1ccccc1CCl)(OCC)OCC,CCO[Si](CCc1ccccc1CCl)(OCC)OCC,"InChI=1/C15H25ClO3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-9-7-8-10-15(14)13-16/h7-10H,4-6,11-13H2,1-3H3",C15H25ClO3Si,,,,,,MHMMYIFFVCHQCY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.189,233-222-3,10094-36-7,Ethyl 3-cyclohexylpropionate,ethyl 3-cyclohexylpropanoate,CCOC(=O)CCC1CCCCC1,CCOC(=O)CCC1CCCCC1,"InChI=1/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3",C11H20O2,,,,,,NRVPMFHPHGBQLP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.192,233-226-5,10094-45-8,(Z)-N-octadecyldocos-13-enamide,N-octadecyldocos-13-enamide,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)",C40H79NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13921,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.192,FUSNPOOETKRESL-ZPHPHTNESA-N,,,,,,,,,,,
100.030.193,233-227-0,10095-14-4,6-hydroxyhexyl acrylate,6-hydroxyhexyl acrylate,OCCCCCCOC(=O)C=C,OCCCCCCOC(=O)C=C,"InChI=1/C9H16O3/c1-2-9(11)12-8-6-4-3-5-7-10/h2,10H,1,3-8H2",C9H16O3,,,,,,OCIFJWVZZUDMRL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.197,233-231-2,10097-26-4,2-butyloctyl methacrylate,2-butyloctyl methacrylate,CCCCCCC(CCCC)COC(=O)C(=C)C,CCCCCCC(CCCC)COC(=O)C(=C)C,"InChI=1/C16H30O2/c1-5-7-9-10-12-15(11-8-6-2)13-18-16(17)14(3)4/h15H,3,5-13H2,1-2,4H3",C16H30O2,,,,,,VHGQXSVGGOZFAO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.722,217-293-8,1802-34-2,3-(3-phenylpropyl)pyridine,3-(3-phenylpropyl)pyridine,C(Cc1ccccc1)Cc2cccnc2,C(Cc1ccccc1)Cc2cccnc2,"InChI=1/C14H15N/c1-2-6-13(7-3-1)8-4-9-14-10-5-11-15-12-14/h1-3,5-7,10-12H,4,8-9H2",C14H15N,,,,,,UFTHZMUVGHIONQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.727,217-299-0,1805-32-9,"3,4-dichlorobenzyl alcohol","(3,4-dichlorophenyl)methanol",OCc1ccc(Cl)c(Cl)c1,OCc1ccc(Cl)c(Cl)c1,"InChI=1/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2",C7H6Cl2O,,,,,,FVJIUQSKXOYFKG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.730,217-303-0,1806-29-7,"Biphenyl-2,2'-diol","biphenyl-2,2'-diol",Oc1ccccc1c2ccccc2O,Oc1ccccc1c2ccccc2O,"InChI=1/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H",C12H10O2,,,,,,IMHDGJOMLMDPJN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.734,217-307-2,1807-15-4,"17,21-dihydroxypregn-4-ene-3,20-dione 17,21-di(acetate)","3,20-dioxopregn-4-ene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C25H34O6/c1-15(26)30-14-22(29)25(31-16(2)27)12-9-21-19-6-5-17-13-18(28)7-10-23(17,3)20(19)8-11-24(21,25)4/h13,19-21H,5-12,14H2,1-4H3",C25H34O6,,,,,,IASNEQDWRXBECK-IHKKISOYSA-N,,,,,,,,,,,
100.015.737,217-310-9,1808-12-4,2-[(4-bromophenyl)phenylmethoxy]ethyl(dimethyl)ammonium chloride,"2-[(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanaminium chloride",[Cl-].C[NH+](C)CCOC(c1ccccc1)c2ccc(Br)cc2,[Cl-].C[NH+](C)CCOC(c1ccccc1)c2ccc(Br)cc2,"InChI=1/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H",C17H20BrNO.ClH,,,,,,ZQDJSWUEGOYDGT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.600,249-076-9,28546-93-2,"Trisodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-oxido-3-methylbenzoate","trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichlorophenyl)methyl]-3-methyl-2-oxidobenzoate",CC1=CC(=C(c2cc(C)c(O[Na])c(c2)C(=O)O[Na])c3c(Cl)cccc3Cl)C=C(C(=O)O[Na])C1=O,CC1=CC(=C(c2cc(C)c(O[Na])c(c2)C(=O)O[Na])c3c(Cl)cccc3Cl)C=C(C(=O)O[Na])C1=O,"InChI=1/C23H16Cl2O6.3Na/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31;;;/h3-9,26H,1-2H3,(H,28,29)(H,30,31);;;/q;3*+1/p-3",C23H16Cl2O6.3Na,,,,,,HUCLZETWCAHAKK-UHFFFAOYSA-K,,,,,,,,,,,
100.044.602,249-079-5,28553-12-0,Di-''isononyl'' phthalate,bis(7-methyloctyl) phthalate,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,"InChI=1/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3",C26H42O4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14959,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.602,HBGGXOJOCNVPFY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.605,249-082-1,28559-00-4,Methyl [1-[[(5-cyanopentyl)amino]carbonyl]-1H-benzimidazol-2-yl]carbamate,methyl {1-[(5-cyanopentyl)carbamoyl]-1H-benzimidazol-2-yl}carbamate,COC(=O)Nc1nc2ccccc2n1C(=O)NCCCCCC#N,COC(=O)Nc1nc2ccccc2n1C(=O)NCCCCCC#N,"InChI=1/C16H19N5O3/c1-24-16(23)20-14-19-12-8-4-5-9-13(12)21(14)15(22)18-11-7-3-2-6-10-17/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,18,22)(H,19,20,23)",C16H19N5O3,,,,,,MKZGVGOBXZJKGV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.614,249-092-6,28583-62-2,N-[3-hydroxy-4-(1-oxobutyl)phenyl]acetamide,N-(4-butyryl-3-hydroxyphenyl)acetamide,CCCC(=O)c1ccc(NC(=O)C)cc1O,CCCC(=O)c1ccc(NC(=O)C)cc1O,"InChI=1/C12H15NO3/c1-3-4-11(15)10-6-5-9(7-12(10)16)13-8(2)14/h5-7,16H,3-4H2,1-2H3,(H,13,14)",C12H15NO3,,,,,,RSBIKRQPSYDRFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.622,249-100-8,28605-72-3,Sodium nitrobenzoate,sodium 2-nitrobenzoate,[Na+].[O-]C(=O)c1ccccc1[N+](=O)[O-],[Na+].[O-]C(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C7H5NO4.Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1",C7H5NO4.Na,,,,,,YEDBDKITOXSHCO-UHFFFAOYSA-M,,,,,,,,,,,
100.039.375,243-329-7,19804-27-4,2-[(p-methyl-a-phenylbenzyl)oxy]ethyl(dimethyl)amine,"N,N-dimethyl-2-[(4-methylphenyl)(phenyl)methoxy]ethanamine",CN(C)CCOC(c1ccccc1)c2ccc(C)cc2,CN(C)CCOC(c1ccccc1)c2ccc(C)cc2,"InChI=1/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3",C18H23NO,,,,,,PJUYQWIDNIAHIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.384,243-339-1,19812-60-3,2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl acrylate,2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl acrylate,OCCOCCOCCOCCOC(=O)C=C,OCCOCCOCCOCCOC(=O)C=C,"InChI=1/C11H20O6/c1-2-11(13)17-10-9-16-8-7-15-6-5-14-4-3-12/h2,12H,1,3-10H2",C11H20O6,,,,,,QUASZQPLPKGIJY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.385,243-340-7,19812-63-6,Diethyl tetradecanedioate,diethyl tetradecanedioate,CCOC(=O)CCCCCCCCCCCCC(=O)OCC,CCOC(=O)CCCCCCCCCCCCC(=O)OCC,"InChI=1/C18H34O4/c1-3-21-17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(20)22-4-2/h3-16H2,1-2H3",C18H34O4,,,,,,XXYWYFSQJPFXBD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.387,243-342-8,19812-92-1,"4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol",4'-tert-butylbiphenyl-4-ol,CC(C)(C)c1ccc(cc1)c2ccc(O)cc2,CC(C)(C)c1ccc(cc1)c2ccc(O)cc2,"InChI=1/C16H18O/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-11,17H,1-3H3",C16H18O,,,,,,NXIXRLZJEZGKGY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.318,224-548-7,4404-43-7,"4,4'-bis[4-[bis(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]",OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,"InChI=1/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)",C40H44N12O10S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2139,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.318,CNGYZEMWVAWWOB-VAWYXSNFSA-N,,,,,,,,,,,
100.019.062,220-967-4,2949-22-6,Ethyl isocyanatoacetate,ethyl N-(oxomethylene)glycinate,CCOC(=O)CN=C=O,CCOC(=O)CN=C=O,"InChI=1/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3",C5H7NO3,,,,,,DUVOZUPPHBRJJO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.065,220-971-6,2950-43-8,Hydroxylamine-O-sulphonic acid,(aminooxy)(hydroxy)sulfane dioxide,NOS(=O)(=O)O,NOS(=O)(=O)O,"InChI=1/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4)",H3NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12342,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.065,DQPBABKTKYNPMH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.074,220-981-0,2957-95-1,"cis-3,4-dichlorocyclobutene","3,4-dichlorocyclobutene",Cl[C@@H]1C=C[C@@H]1Cl,Cl[C@@H]1C=C[C@@H]1Cl,InChI=1/C4H4Cl2/c5-3-1-2-4(3)6/h1-4H,C4H4Cl2,,,,,,MNOAQNJDZROAPA-ZXZARUISSA-N,,,,,,,,,,,
100.019.077,220-984-7,2958-14-7,Sodium dioctadecyl phosphate,sodium dioctadecyl phosphate,[Na+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCCCC,[Na+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCCCC,"InChI=1/C36H75O4P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3,(H,37,38);/q;+1/p-1",C36H75O4P.Na,,,,,,JSMHQMIPUOPQLR-UHFFFAOYSA-M,,,,,,,,,,,
100.019.090,220-998-3,2961-68-4,"Potassium 3,5-dibromo-4-hydroxyphenylcyanide",-,[K+].Oc1c(Br)cc(cc1Br)C#N,[K+].Oc1c(Br)cc(cc1Br)C#N,"InChI=1/C7H3Br2NO.K/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1",C7H3Br2NO.K,,,,,,HKSBGIRAPYUOPP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.092,221-000-9,2/09/2964,2-benzoyloxyethyltrimethylammonium chloride,"2-(benzoyloxy)-N,N,N-trimethylethanaminium chloride",[Cl-].C[N+](C)(C)CCOC(=O)c1ccccc1,[Cl-].C[N+](C)(C)CCOC(=O)c1ccccc1,"InChI=1/C12H18NO2.ClH/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1",C12H18NO2.Cl,,,,,,QVFHQENRNSAHEK-UHFFFAOYSA-M,,,,,,,,,,,
100.019.095,221-004-0,2966-50-9,Silver trifluoroacetate,silver(1+) trifluoroacetate,[Ag+].[O-]C(=O)C(F)(F)F,[Ag+].[O-]C(=O)C(F)(F)F,"InChI=1/C2HF3O2.Ag/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HF3O2.Ag,,,,,,KZJPVUDYAMEDRM-UHFFFAOYSA-M,,,,,,,,,,,
100.019.103,221-012-4,2973-19-5,a-chloro-4-nitro-o-cresol,2-(chloromethyl)-4-nitrophenol,Oc1ccc(cc1CCl)[N+](=O)[O-],Oc1ccc(cc1CCl)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2",C7H6ClNO3,,,,,,PJNPZIYGODMAQE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.105,221-015-0,2973-50-4,(2-aminophenyl)acetonitrile,(2-aminophenyl)acetonitrile,Nc1ccccc1CC#N,Nc1ccccc1CC#N,"InChI=1/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2",C8H8N2,,,,,,LMDPYYUISNUGGT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.107,221-017-1,2973-77-5,"3,5-dibromo-4-hydroxybenzaldehyde","3,5-dibromo-4-hydroxybenzaldehyde",Oc1c(Br)cc(C=O)cc1Br,Oc1c(Br)cc(C=O)cc1Br,"InChI=1/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H",C7H4Br2O2,,,,,,SXRHGLQCOLNZPT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.108,221-018-7,8/08/2975,Sodium [(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]phenylacetate,sodium [(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate,[Na+].COC(=O)C=C(C)NC(C([O-])=O)c1ccccc1,[Na+].COC(=O)C=C(C)NC(C([O-])=O)c1ccccc1,"InChI=1/C13H15NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-8,12,14H,1-2H3,(H,16,17);/q;+1/p-1",C13H15NO4.Na,,,,,,VWAWMPXOFHGGMY-UHFFFAOYSA-M,,,,,,,,,,,
100.017.114,218-824-6,2243-90-5,"2,6,8-trimethylquinoline","2,6,8-trimethylquinoline",Cc1cc(C)c2nc(C)ccc2c1,Cc1cc(C)c2nc(C)ccc2c1,"InChI=1/C12H13N/c1-8-6-9(2)12-11(7-8)5-4-10(3)13-12/h4-7H,1-3H3",C12H13N,,,,,,TYDCAWVQILIWGV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.115,218-825-1,2243-98-3,Undec-1-yne,undec-1-yne,CCCCCCCCCC#C,CCCCCCCCCC#C,"InChI=1/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3",C11H20,,,,,,YVSFLVNWJIEJRV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.119,218-829-3,2244-40-8,Sodium 4-(dimethylamino)benzenesulphonate,sodium 4-(dimethylamino)benzenesulfonate,[Na+].CN(C)c1ccc(cc1)S(=O)(=O)[O-],[Na+].CN(C)c1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C8H11NO3S.Na/c1-9(2)7-3-5-8(6-4-7)13(10,11)12;/h3-6H,1-2H3,(H,10,11,12);/q;+1/p-1",C8H11NO3S.Na,,,,,,DMZUWZNMZRSBOK-UHFFFAOYSA-M,,,,,,,,,,,
100.017.123,218-834-0,2245-53-6,"2,2'-[1,4-phenylenebis(oxy)]bisacetic acid","2,2'-[1,4-phenylenebis(oxy)]diacetic acid",OC(=O)COc1ccc(OCC(=O)O)cc1,OC(=O)COc1ccc(OCC(=O)O)cc1,"InChI=1/C10H10O6/c11-9(12)5-15-7-1-2-8(4-3-7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",C10H10O6,,,,,,DNXOCFKTVLHUMU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.092,224-300-8,1/06/4295,4-chloro-2-methylquinoline,4-chloro-2-methylquinoline,Cc1cc(Cl)c2ccccc2n1,Cc1cc(Cl)c2ccccc2n1,"InChI=1/C10H8ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3",C10H8ClN,,,,,,HQAIROMRVBVWSK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.093,224-301-3,4295-55-0,Clofenamic acid,"2-[(2,3-dichlorophenyl)amino]benzoic acid",OC(=O)c1ccccc1Nc2cccc(Cl)c2Cl,OC(=O)c1ccccc1Nc2cccc(Cl)c2Cl,"InChI=1/C13H9Cl2NO2/c14-9-5-3-7-11(12(9)15)16-10-6-2-1-4-8(10)13(17)18/h1-7,16H,(H,17,18)",C13H9Cl2NO2,,,,,,JONFYSWOLCTYFK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.096,224-305-5,4297-95-4,Sodium phenylphosphinate,sodium phenylphosphinate,[Na+].[O-]P(=O)c1ccccc1,[Na+].[O-]P(=O)c1ccccc1,"InChI=1/C6H7O2P.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5,9H,(H,7,8);/q;+1/p-1",C6H7O2P.Na,,,,,,OHIDUEQCSBPCMZ-UHFFFAOYSA-M,,,,,,,,,,,
100.022.101,224-310-2,4300-28-1,D-ribose 5-(dihydrogen phosphate),5-O-phosphonopentose,OC(COP(=O)(O)O)C(O)C(O)C=O,OC(COP(=O)(O)O)C(O)C(O)C=O,"InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)",C5H11O8P,,,,,,PPQRONHOSHZGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.103,224-312-3,4301-38-6,"Ethyl 2,3,4,5-tetrachlorotetrahydro-2-furoate","ethyl 2,3,4,5-tetrachlorotetrahydrofuran-2-carboxylate (non-preferred name)",CCOC(=O)C1(Cl)OC(Cl)C(Cl)C1Cl,CCOC(=O)C1(Cl)OC(Cl)C(Cl)C1Cl,"InChI=1/C7H8Cl4O3/c1-2-13-6(12)7(11)4(9)3(8)5(10)14-7/h3-5H,2H2,1H3",C7H8Cl4O3,,,,,,VZCGXLVTQVOWKB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.104,224-313-9,4303-59-7,(2-methylallyl)triphenylphosphonium chloride,(2-methylprop-2-en-1-yl)(triphenyl)phosphonium chloride,[Cl-].CC(=C)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].CC(=C)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H22P.ClH/c1-19(2)18-23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,1,18H2,2H3;1H/q+1;/p-1",C22H22P.Cl,,,,,,JDFGGWZVSCEWOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.022.105,224-314-4,4303-67-7,1-dodecyl-1H-imidazole,1-dodecyl-1H-imidazole,CCCCCCCCCCCCn1ccnc1,CCCCCCCCCCCCn1ccnc1,"InChI=1/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17/h12,14-15H,2-11,13H2,1H3",C15H28N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10264,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.105,JMTFLSQHQSFNTE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.109,224-319-1,4306-24-5,N-(N-glycyl-L-leucyl)-L-tyrosine,glycylleucyl-L-tyrosine,CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C17H25N3O5/c1-10(2)7-13(19-15(22)9-18)16(23)20-14(17(24)25)8-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)",C17H25N3O5,,,,,,AFWYPMDMDYCKMD-KBPBESRZSA-N,,,,,,,,,,,
100.019.361,221-295-4,7/05/3058,"2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropionic acid","3,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)dipropanoic acid",OC(=O)CCC1OCC2(COC(CCC(=O)O)OC2)CO1,OC(=O)CCC1OCC2(COC(CCC(=O)O)OC2)CO1,"InChI=1/C13H20O8/c14-9(15)1-3-11-18-5-13(6-19-11)7-20-12(21-8-13)4-2-10(16)17/h11-12H,1-8H2,(H,14,15)(H,16,17)",C13H20O8,,,,,,PVCPWBCCWVKROB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.370,221-306-2,3062-19-9,N-DL-alanyl-DL-serine,L-alanyl-L-serine,O=C(O)[C@@H](NC(=O)[C@H](C)N)CO,O=C(O)[C@@H](NC(=O)[C@H](C)N)CO,"InChI=1/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)",C6H12N2O4,,,,,,IPWKGIFRRBGCJO-IMJSIDKUSA-N,,,,,,,,,,,
100.019.373,221-309-9,3063-94-3,"2,2,2-trifluoro-1-(trifluoromethyl)ethyl methacrylate","2,2,2-trifluoro-1-(trifluoromethyl)ethyl methacrylate",CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F,CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F,"InChI=1/C7H6F6O2/c1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h5H,1H2,2H3",C7H6F6O2,,,,,,FMQPBWHSNCRVQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.892,222-981-6,3687-46-5,Decyl oleate,decyl octadec-9-enoate,CCCCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3",C28H54O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13270,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.892,SASYSVUEVMOWPL-NXVVXOECSA-N,,,,,,,,,,,
100.020.893,222-982-1,3687-64-7,3-O-a-D-galactopyranosyl-D-myo-inositol,"2,3,4,5,6-pentahydroxycyclohexyl hexopyranoside",OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2",C12H22O11,,,,,,VCWMRQDBPZKXKG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.895,222-984-2,3687-80-7,Trisodium 4-[[6-[[[[6-[(o-anisyl)azo]-5-hydroxy-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1-sulphonate,trisodium 4-({1-hydroxy-6-[({5-hydroxy-6-[(2-methoxybenzyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-sulfonato-2-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[Na+].COc7ccccc7CN=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc7ccccc7CN=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,"InChI=1/C39H30N6O13S3.3Na/c1-58-31-9-5-2-6-21(31)20-40-44-35-33(60(52,53)54)18-22-16-24(10-12-26(22)37(35)46)41-39(48)42-25-11-13-27-23(17-25)19-34(61(55,56)57)36(38(27)47)45-43-30-14-15-32(59(49,50)51)29-8-4-3-7-28(29)30;;;/h2-19,46-47H,20H2,1H3,(H2,41,42,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3",C38H28N6O13S3.3Na,,,,,,HQASNQAHAQNZOY-UHFFFAOYSA-K,,,,,,,,,,,
100.030.199,233-233-3,10098-39-2,4-nitrophenylglycolic acid,hydroxy(4-nitrophenyl)acetic acid,OC(C(=O)O)c1ccc(cc1)[N+](=O)[O-],OC(C(=O)O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,7,10H,(H,11,12)",C8H7NO5,,,,,,ZSMJZVLXJDNZHG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.200,233-234-9,10098-89-2,L-lysine hydrochloride,L-lysine hydrochloride,Cl.NCCCC[C@H](N)C(=O)O,Cl.NCCCC[C@H](N)C(=O)O,"InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H",C6H14N2O2.xClH,,,,,,BVHLGVCQOALMSV-JEDNCBNOSA-N,,,,,,,,,,,
100.030.209,233-244-3,10099-73-7,2-hydroxypropyl hydrogen maleate,4-(2-hydroxypropoxy)-4-oxobut-2-enoic acid,CC(O)COC(=O)\\C=C/C(=O)O,CC(O)COC(=O)\C=C/C(=O)O,"InChI=1/C7H10O5/c1-5(8)4-12-7(11)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)",C7H10O5,,,,,,ZKXXLNRGNAUYHP-IHWYPQMZSA-N,,,,,,,,,,,
100.030.037,233-054-0,10026-04-7,Silicon tetrachloride,tetrachlorosilane,Cl[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)Cl,"InChI=1/Cl4Si/c1-5(2,3)4",Cl4Si,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15172,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.037,FDNAPBUWERUEDA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.039,233-056-1,10026-08-1,Thorium tetrachloride,thorium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Th+2].[Th+2],[Cl-].[Cl-].[Cl-].[Cl-].[Th+2].[Th+2],InChI=1/4ClH.2Th/h4*1H;;/q;;;;2*+2/p-4,Cl4Th,,,,,,COACJVCGFSXUAI-UHFFFAOYSA-J,,,,,,,,,,,
100.030.042,233-059-8,10026-12-7,Niobium pentachloride,-,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+2],[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+2],InChI=1/5ClH.Nb/h5*1H;/q;;;;;+2/p-5,Cl5Nb,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17351,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.042,WYLNVWMMGXVYLE-UHFFFAOYSA-I,,,,,,,,,,,
100.030.048,233-066-6,10026-99-0,"(2-hydroxy-1,1-dimethylethyl)dimethylammonium toluene-p-sulphonate","1-hydroxy-N,N,2-trimethylpropan-2-aminium 4-methylbenzenesulfonate",C[NH+](C)C(C)(C)CO.Cc1ccc(cc1)S(=O)(=O)[O-],C[NH+](C)C(C)(C)CO.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.C6H15NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,5-8)7(3)4/h2-5H,1H3,(H,8,9,10);8H,5H2,1-4H3",C7H8O3S.C6H15NO,,,,,,JZFUBSFZOGZENZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.051,233-069-2,10028-15-6,Ozone,trioxid-2-en-2-ium-1-ide,[O-][O+]=O,[O-][O+]=O,InChI=1/O3/c1-3-2,O3,,,,,,CBENFWSGALASAD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.061,233-080-2,10030-80-5,L-(-)-mannose,D-mannose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-KVTDHHQDSA-N,,,,,,,,,,,
100.030.073,233-093-3,10031-82-0,4-ethoxybenzaldehyde,4-ethoxybenzaldehyde,CCOc1ccc(C=O)cc1,CCOc1ccc(C=O)cc1,"InChI=1/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3",C9H10O2,,,,,,JRHHJNMASOIRDS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.076,233-097-5,10031-90-0,Ethyl furan-2-propionate,ethyl 3-(2-furyl)propanoate,CCOC(=O)CCc1occc1,CCOC(=O)CCc1occc1,"InChI=1/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3",C9H12O3,,,,,,OWIWZQQFSTZZIG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.080,233-102-0,10032-02-7,Geranyl hexanoate,"3,7-dimethylocta-2,6-dien-1-yl hexanoate",CCCCCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCCCCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3",C16H28O2,,,,,,ARVSCQUZFFSNKF-NTCAYCPXSA-N,,,,,,,,,,,
100.030.082,233-104-1,10032-11-8,Hex-3-enyl isovalerate,hex-3-en-1-yl 3-methylbutanoate,CCC=CCCOC(=O)CC(C)C,CCC=CCCOC(=O)CC(C)C,"InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3",C11H20O2,,,,,,AIQLNKITFBJPFO-UHFFFAOYSA-N,,,,,,,,,,,
100.027.115,229-826-1,6767-73-3,"(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dionato-N1)(oleato-O)magnesium","magnesium 3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydropurin-1-ide octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)O[Mg]N1C(=O)N(C)c2ncn(C)c2C1=O,CCCCCCCCC=CCCCCCCCC(=O)O[Mg]N1C(=O)N(C)c2ncn(C)c2C1=O,"InChI=1/C18H34O2.C7H8N4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,1-2H3,(H,9,12,13);/q;;+2/p-2/rC25H40MgN4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(31)34-26-30-24(32)22-23(27-20-28(22)2)29(3)25(30)33/h11-12,20H,4-10,13-19H2,1-3H3",C25H40MgN4O4,,,,,,CMAIXUNGPMYEQR-UHFFFAOYSA-L,,,,,,,,,,,
100.027.116,229-827-7,6768-23-6,Diethyl (p-methoxybenzylidene)malonate,diethyl (4-methoxybenzylidene)malonate,CCOC(=O)C(=Cc1ccc(OC)cc1)C(=O)OCC,CCOC(=O)C(=Cc1ccc(OC)cc1)C(=O)OCC,"InChI=1/C15H18O5/c1-4-19-14(16)13(15(17)20-5-2)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3",C15H18O5,,,,,,KUBLMWHFTKNBHL-UHFFFAOYSA-N,,,,,,,,,,,
100.027.118,229-829-8,6771-81-9,"Tetrasodium 4,4'-[carbonylbis(imino-4,1-phenyleneazo)]bis[3-amino-5-hydroxynaphthalene-2,7-disulphonate]","tetrasodium 3-amino-4-({4-[({4-[(2-amino-8-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)cc(c(N)c6N=Nc2ccc(cc2)NC(=O)Nc3ccc(cc3)N=Nc4c(N)c(cc5cc(cc(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)cc(c(N)c6N=Nc2ccc(cc2)NC(=O)Nc3ccc(cc3)N=Nc4c(N)c(cc5cc(cc(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C33H26N8O15S4.4Na/c34-29-25(59(51,52)53)11-15-9-21(57(45,46)47)13-23(42)27(15)31(29)40-38-19-5-1-17(2-6-19)36-33(44)37-18-3-7-20(8-4-18)39-41-32-28-16(12-26(30(32)35)60(54,55)56)10-22(14-24(28)43)58(48,49)50;;;;/h1-14,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C33H26N8O15S4.4Na,,,,,,PMXLIIKADOPOGL-UHFFFAOYSA-J,,,,,,,,,,,
100.022.060,224-265-9,4272-71-3,p-nitrophenyl N2-(benzyloxycarbonyl)-L-lysinate,4-nitrophenyl N~2~-[(benzyloxy)carbonyl]-L-lysinate,NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C20H23N3O6/c21-13-5-4-8-18(22-20(25)28-14-15-6-2-1-3-7-15)19(24)29-17-11-9-16(10-12-17)23(26)27/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,22,25)",C20H23N3O6,,,,,,VMKGUOYDQYWEJP-SFHVURJKSA-N,,,,,,,,,,,
100.022.063,224-269-0,4273-88-5,N-(6-ethoxybenzothiazol-2-yl)acetoacetamide,"N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanimidic acid",CC(=O)CC(/O)=N\\c1nc2ccc(cc2s1)OCC,CC(=O)CC(/O)=N\c1nc2ccc(cc2s1)OCC,"InChI=1/C13H14N2O3S/c1-3-18-9-4-5-10-11(7-9)19-13(14-10)15-12(17)6-8(2)16/h4-5,7H,3,6H2,1-2H3,(H,14,15,17)",C13H14N2O3S,,,,,,GXFGVXXEQKKDGE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.064,224-270-6,4273-92-1,"4'-chloro-3-hydroxy-2',5'-dimethoxy-2-naphthanilide","N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthamide",COc1cc(NC(=O)c2cc3ccccc3cc2O)c(OC)cc1Cl,COc1cc(NC(=O)c2cc3ccccc3cc2O)c(OC)cc1Cl,"InChI=1/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)",C19H16ClNO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11395,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.064,QIHKTBRNOLQDGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.065,224-271-1,4273-98-7,2-aminophenyl phenyl sulphone,2-(phenylsulfonyl)aniline,Nc1ccccc1S(=O)(=O)c2ccccc2,Nc1ccccc1S(=O)(=O)c2ccccc2,"InChI=1/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2",C12H11NO2S,,,,,,JBCUKQQIWSWEOK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.070,224-276-9,4275-28-9,"2,2'-thiodiethyl diacetate","sulfanediyldiethane-2,1-diyl diacetate",CC(=O)OCCSCCOC(=O)C,CC(=O)OCCSCCOC(=O)C,"InChI=1/C8H14O4S/c1-7(9)11-3-5-13-6-4-12-8(2)10/h3-6H2,1-2H3",C8H14O4S,,,,,,HWLINJPYLXLANY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.071,224-277-4,4276-49-7,Bromoicosane,1-bromoicosane,CCCCCCCCCCCCCCCCCCCCBr,CCCCCCCCCCCCCCCCCCCCBr,"InChI=1/C20H41Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3",C20H41Br,,,,,,CZASMUMJSKOHFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.072,224-279-5,4277-29-6,Formylcycloheptane,cycloheptanecarbaldehyde,O=CC1CCCCCC1,O=CC1CCCCCC1,"InChI=1/C8H14O/c9-7-8-5-3-1-2-4-6-8/h7-8H,1-6H2",C8H14O,,,,,,UGBFRCHGZFHSBC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.076,224-283-7,4279-22-5,"2,2-dichlorobutane","2,2-dichlorobutane",CCC(C)(Cl)Cl,CCC(C)(Cl)Cl,"InChI=1/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3",C4H8Cl2,,,,,,BSRTYNDWQXVCKR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.080,224-287-9,4283-80-1,2-bromo-2-methylpentane,2-bromo-2-methylpentane,CCCC(C)(C)Br,CCCC(C)(C)Br,"InChI=1/C6H13Br/c1-4-5-6(2,3)7/h4-5H2,1-3H3",C6H13Br,,,,,,JXHHVVMPTVKBGI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.081,224-288-4,4285-42-1,Methylphenylcarbamoyl chloride,methyl(phenyl)carbamic chloride,CN(C(=O)Cl)c1ccccc1,CN(C(=O)Cl)c1ccccc1,"InChI=1/C8H8ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3",C8H8ClNO,,,,,,CPGWSLFYXMRNDV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.084,224-292-6,8/10/4292,(carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide,"N-(carboxymethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium hydroxide",[OH-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,"InChI=1/C19H38N2O3.H2O/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24;/h4-17H2,1-3H3,(H-,20,22,23,24);1H2",C19H38N2O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12545,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.084,RXMUKMSXIXSYOA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.085,224-293-1,4292-19-7,1-iodododecane,1-iodododecane,CCCCCCCCCCCCI,CCCCCCCCCCCCI,"InChI=1/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",C12H25I,,,,,,GCDPERPXPREHJF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.086,224-294-7,4292-75-5,Hexylcyclohexane,hexylcyclohexane,CCCCCCC1CCCCC1,CCCCCCC1CCCCC1,"InChI=1/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3",C12H24,,,,,,QHWAQXOSHHKCFK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.100,224-309-7,4299-70-1,Methyl L-tryptophanate,methyl L-tryptophanate,COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,"InChI=1/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3",C12H14N2O2,,,,,,KCUNTYMNJVXYKZ-JTQLQIEISA-N,,,,,,,,,,,
100.022.102,224-311-8,4300-97-4,"3-chloro-2,2-dimethylpropaneyl chloride","3-chloro-2,2-dimethylpropanoyl chloride",CC(C)(CCl)C(=O)Cl,CC(C)(CCl)C(=O)Cl,"InChI=1/C5H8Cl2O/c1-5(2,3-6)4(7)8/h3H2,1-2H3",C5H8Cl2O,,,,,,MQZNDDUMJVSIMH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.108,224-318-6,4304-40-9,Thenium closilate,"N,N-dimethyl-2-phenoxy-N-(2-thienylmethyl)ethanaminium [(4-chlorophenoxy)sulfinyl]oxidanide",C[N+](C)(CCOc1ccccc1)Cc2cccs2.[O-]S(=O)Oc3ccc(Cl)cc3,C[N+](C)(CCOc1ccccc1)Cc2cccs2.[O-]S(=O)Oc3ccc(Cl)cc3,"InChI=1/C15H20NOS.C6H5ClO3S/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;7-5-1-3-6(4-2-5)10-11(8)9/h3-9,12H,10-11,13H2,1-2H3;1-4H,(H,8,9)/q+1;/p-1",C15H20NOS.C6H4ClO3S,,,,,,WZDNYEOVHXYLBX-UHFFFAOYSA-M,,,,,,,,,,,
100.019.364,221-299-6,3060-50-2,"a,a-diphenylglycine",amino(diphenyl)acetic acid,NC(C(=O)O)(c1ccccc1)c2ccccc2,NC(C(=O)O)(c1ccccc1)c2ccccc2,"InChI=1/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17)",C14H13NO2,,,,,,YBONNYNNFBAKLI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.625,220-487-5,2782-57-2,"Dichloro-1,3,5-triazinetrione","1,3-dichloro-1,3,5-triazinane-2,4,6-trione",ClN1C(=O)NC(=O)N(Cl)C1=O,ClN1C(=O)NC(=O)N(Cl)C1=O,"InChI=1/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)",C3HCl2N3O3,,,,,,CEJLBZWIKQJOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.628,220-490-1,2783-73-5,3-methyl-2-[2-methyl-3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]benzothiazolium iodide,"3-methyl-2-[2-methyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].C[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2C,[I-].C[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2C,"InChI=1/C20H19N2S2.HI/c1-14(12-19-21(2)15-8-4-6-10-17(15)23-19)13-20-22(3)16-9-5-7-11-18(16)24-20;/h4-13H,1-3H3;1H/q+1;/p-1",C20H19N2S2.I,,,,,,SYAZKCDPODSEIR-UHFFFAOYSA-M,,,,,,,,,,,
100.018.629,220-491-7,2783-94-0,Disodium 6-hydroxy-5-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 6-hydroxy-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O,"InChI=1/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H12N2O7S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11604,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.629,OIQPTROHQCGFEF-UHFFFAOYSA-L,,,,,,,,,,,
100.018.632,220-494-3,2784-89-6,"2-nitro-N-phenylbenzene-1,4-diamine","2-nitro-N~1~-phenylbenzene-1,4-diamine",Nc1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-],Nc1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-],"InChI=1/C12H11N3O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2",C12H11N3O2,,,,,,WHJNKCNHEVCICH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.635,220-498-5,2785-54-8,1-tetradecylpyridinium chloride,1-tetradecylpyridinium chloride,[Cl-].CCCCCCCCCCCCCC[n+]1ccccc1,[Cl-].CCCCCCCCCCCCCC[n+]1ccccc1,"InChI=1/C19H34N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1",C19H34N.Cl,,,,,,YFVBASFBIJFBAI-UHFFFAOYSA-M,,,,,,,,,,,
100.018.642,220-506-7,2786-43-8,3-methylbenzothiazole-2(3H)-selone,"3-methyl-1,3-benzothiazole-2(3H)-selone",CN1C(=[Se])Sc2ccccc12,CN1C(=[Se])Sc2ccccc12,"InChI=1/C8H7NSSe/c1-9-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3",C8H7NSSe,,,,,,VBKDUIRAXCKPOA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.650,220-515-6,2787-64-6,Dinonyl maleate,dinonyl but-2-enedioate,CCCCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCCCC,CCCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCCC,"InChI=1/C22H40O4/c1-3-5-7-9-11-13-15-19-25-21(23)17-18-22(24)26-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3",C22H40O4,,,,,,PQJYOOFQDXGDDS-ZCXUNETKSA-N,,,,,,,,,,,
100.018.653,220-518-2,2788-26-3,Dimethyl (dimethoxyphosphinyl)succinate,dimethyl 2-(dimethoxyphosphoryl)succinate,COC(=O)CC(C(=O)OC)P(=O)(OC)OC,COC(=O)CC(C(=O)OC)P(=O)(OC)OC,"InChI=1/C8H15O7P/c1-12-7(9)5-6(8(10)13-2)16(11,14-3)15-4/h6H,5H2,1-4H3",C8H15O7P,,,,,,LGAMILCIMHCDPT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.696,218-365-1,2134-29-4,3-hydroxypropionaldehyde,3-hydroxypropanal,OCCC=O,OCCC=O,"InChI=1/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",C3H6O2,,,,,,AKXKFZDCRYJKTF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.699,218-368-8,2135-14-0,"9-fluoro-11ß-hydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione","6b-acetyl-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,"InChI=1/C24H31FO5/c1-13(26)24-19(29-20(2,3)30-24)11-17-16-7-6-14-10-15(27)8-9-21(14,4)23(16,25)18(28)12-22(17,24)5/h8-10,16-19,28H,6-7,11-12H2,1-5H3",C24H31FO5,,,,,,BSHYASCHOGHGHW-PIQRJGQMSA-N,,,,,,,,,,,
100.016.702,218-371-4,2136-70-1,2-(tetradecyloxy)ethanol,2-(tetradecyloxy)ethanol,CCCCCCCCCCCCCCOCCO,CCCCCCCCCCCCCCOCCO,"InChI=1/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17/h17H,2-16H2,1H3",C16H34O2,,,,,,QHERURXKGFABNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.705,218-375-6,2136-75-6,(triphenylphosphoranylidene)acetaldehyde,(triphenylphosphoranylidene)acetaldehyde,O=CC=P(c1ccccc1)(c2ccccc2)c3ccccc3,O=CC=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H17OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H",C20H17OP,,,,,,CQCAYWAIRTVXIY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.706,218-376-1,2136-81-4,1-chloro-3-(trichloromethyl)benzene,1-chloro-3-(trichloromethyl)benzene,Clc1cccc(c1)C(Cl)(Cl)Cl,Clc1cccc(c1)C(Cl)(Cl)Cl,"InChI=1/C7H4Cl4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H",C7H4Cl4,,,,,,ZVPXXRHACIEOFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.712,218-382-4,2138-24-1,Tetrahexylammonium iodide,"N,N,N-trihexylhexan-1-aminium iodide",[I-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,[I-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,"InChI=1/C24H52N.HI/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1",C24H52N.I,,,,,,VRKHAMWCGMJAMI-UHFFFAOYSA-M,,,,,,,,,,,
100.016.715,218-386-6,2138-49-0,"3,5-diisopropylpyrocatechol","3,5-diisopropylbenzene-1,2-diol",CC(C)c1cc(O)c(O)c(c1)C(C)C,CC(C)c1cc(O)c(O)c(c1)C(C)C,"InChI=1/C12H18O2/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-8,13-14H,1-4H3",C12H18O2,,,,,,VMYLKGAEBQHVPE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.897,222-986-3,3688-37-7,3-ethoxy-2-oxobutyraldehyde,3-ethoxy-2-oxobutanal,CCOC(C)C(=O)C=O,CCOC(C)C(=O)C=O,"InChI=1/C6H10O3/c1-3-9-5(2)6(8)4-7/h4-5H,3H2,1-2H3",C6H10O3,,,,,,VUNAKDMJSGEODG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.906,222-996-8,3689-50-7,Oxomemazine,"3-(5,5-dioxido-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine",CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c3ccccc13,CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c3ccccc13,"InChI=1/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",C18H22N2O2S,,,,,,QTQPVLDZQVPLGV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.907,222-997-3,3689-55-2,"(R*,R*)-(±)-2-amino-1-(p-nitrophenyl)propane-1,3-diol","2-amino-1-(4-nitrophenyl)propane-1,3-diol",NC(CO)C(O)c1ccc(cc1)N(=O)=O,NC(CO)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2",C9H12N2O4,,,,,,OCYJXSUPZMNXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.748,217-322-4,1812-30-2,Bromazepam,"7-bromo-5-pyridin-2-yl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1,Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1,"InChI=1/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)",C14H10BrN3O,,,,,,VMIYHDSEFNYJSL-UHFFFAOYSA-N,Positive/Negative,AU151506;EQ362801|EQ362802|EQ362803|EQ362804|EQ362805|EQ362806|EQ362807|EQ362808|EQ362809,[M+H]+;[M+H]+,CIDRAMP 21.9-32.9;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,316.0089:318.0069:209.0946;316.0078:288.0137|316.0078:288.013:209.0948|209.0947:182.0838:316.0079|182.0838:209.0947:208.0869|182.0838:208.0869:181.076|181.0759:182.0838:208.0869|181.0759:154.0651:104.0494|179.0603:154.0651:104.0494|179.0603:95.0491:126.0464,Athens_Univ;Eawag,EQ362851|EQ362852|EQ362853|EQ362854|EQ362855|EQ362856|EQ362857|EQ362858|EQ362859,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,313.9937:285.9748:286.9826|285.9748:313.9935:286.9825|285.9749:78.9189:286.9825|78.9189:285.9748:286.9825|78.9189:285.9747|78.9189|78.9189|78.9189|78.9189,Eawag
100.014.879,216-366-1,1565-80-6,(S)-2-methylbutan-1-ol,2-methylbutan-1-ol,CC[C@H](C)CO,CC[C@H](C)CO,"InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",C5H12O,,,,,,QPRQEDXDYOZYLA-YFKPBYRVSA-N,,,,,,,,,,,
100.014.889,216-377-1,1569-60-4,6-methylhept-5-en-2-ol,6-methylhept-5-en-2-ol,CC(O)CCC=C(C)C,CC(O)CCC=C(C)C,"InChI=1/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3",C8H16O,,,,,,OHEFFKYYKJVVOX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.891,216-379-2,1570-45-2,Ethyl isonicotinate,ethyl isonicotinate,CCOC(=O)c1ccncc1,CCOC(=O)c1ccncc1,"InChI=1/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3",C8H9NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16612,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.891,MCRPKBUFXAKDKI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.892,216-380-8,1570-48-5,1-(3-pyridyl)propan-1-one,1-pyridin-3-ylpropan-1-one,CCC(=O)c1cccnc1,CCC(=O)c1cccnc1,"InChI=1/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3",C8H9NO,,,,,,VDNKJMUNLKAGAM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.893,216-381-3,1570-64-5,4-chloro-o-cresol,4-chloro-2-methylphenol,Cc1cc(Cl)ccc1O,Cc1cc(Cl)ccc1O,"InChI=1/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3",C7H7ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1917,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.893,RHPUJHQBPORFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.895,216-383-4,1570-86-1,1-[(p-tolyl)methyl]cyclopropanecarbonyl chloride,1-(4-methylbenzyl)cyclopropanecarbonyl chloride,Cc1ccc(CC2(CC2)C(=O)Cl)cc1,Cc1ccc(CC2(CC2)C(=O)Cl)cc1,"InChI=1/C12H13ClO/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3",C12H13ClO,,,,,,JNOQIWROIDIHDU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.906,216-396-5,1573-92-8,9-oxo-9H-fluorenecarboxylic acid,9-oxo-9H-fluorene-1-carboxylic acid,OC(=O)c1cccc2c3ccccc3C(=O)c12,OC(=O)c1cccc2c3ccccc3C(=O)c12,"InChI=1/C14H8O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7H,(H,16,17)",C14H8O3,,,,,,CBEFMGJHEKAMNI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.907,216-397-0,1574-10-3,Benzaldehyde semicarbazone,benzaldehyde semicarbazone,NC(=O)N\\N=C\\c1ccccc1,NC(=O)N\N=C\c1ccccc1,"InChI=1/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)",C8H9N3O,,,,,,AKGUXECGGCUDCV-UXBLZVDNSA-N,,,,,,,,,,,
100.014.908,216-398-6,1574-18-1,"5,8-dichloro-1-naphthol","5,8-dichloro-1-naphthol",Oc1cccc2c(Cl)ccc(Cl)c12,Oc1cccc2c(Cl)ccc(Cl)c12,"InChI=1/C10H6Cl2O/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h1-5,13H",C10H6Cl2O,,,,,,KEGNUIZNBCHWLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.910,216-400-5,1574-34-1,3-methylenepent-1-yne,3-methylenepent-1-yne,CCC(=C)C#C,CCC(=C)C#C,"InChI=1/C6H8/c1-4-6(3)5-2/h1H,3,5H2,2H3",C6H8,,,,,,LAKYCCVWZNCNIO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.911,216-401-0,1574-41-0,"(Z)-penta-1,3-diene","penta-1,3-diene",C\\C=C/C=C,C\C=C/C=C,"InChI=1/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3",C5H8,,,,,,PMJHHCWVYXUKFD-PLNGDYQASA-N,,,,,,,,,,,
100.039.403,243-360-6,19834-02-7,Cyclohexylammonium hydrogen sulphate,cyclohexanaminium hydrogen sulfate,[NH3+]C1CCCCC1.[O-]S(=O)(=O)[O-],[NH3+]C1CCCCC1.[O-]S(=O)(=O)[O-],"InChI=1/C6H13N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h6H,1-5,7H2;(H2,1,2,3,4)/p-1",C6H13N.H2O4S,,,,,,RGDUGERAJGGXFQ-UHFFFAOYSA-M,,,,,,,,,,,
100.039.405,243-362-7,19838-07-4,3-methyl-(1H)-pyrazin-2-one,3-methylpyrazin-2(1H)-one,CC1=NC=CNC1=O,CC1=NC=CNC1=O,"InChI=1/C5H6N2O/c1-4-5(8)7-3-2-6-4/h2-3H,1H3,(H,7,8)",C5H6N2O,,,,,,LDQRWMQHTORUIY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.411,243-369-5,19847-12-2,Pyrazinecarbonitrile,pyrazine-2-carbonitrile,N#Cc1cnccn1,N#Cc1cnccn1,"InChI=1/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H",C5H3N3,,,,,,PMSVVUSIPKHUMT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.413,243-371-6,19853-79-3,"2,4-dichloro-m-toluidine","2,4-dichloro-3-methylaniline",Cc1c(Cl)ccc(N)c1Cl,Cc1c(Cl)ccc(N)c1Cl,"InChI=1/C7H7Cl2N/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3",C7H7Cl2N,,,,,,FOYMVHMUBKHXLY-UHFFFAOYSA-N,,,,,,,,,,,
100.027.124,229-836-6,6775-26-4,Octaverine hydrochloride,"6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline hydrochloride",Cl.CCOc1cc(cc(OCC)c1OCC)c2nccc3cc(OC)c(OC)cc23,Cl.CCOc1cc(cc(OCC)c1OCC)c2nccc3cc(OC)c(OC)cc23,"InChI=1/C23H27NO5.ClH/c1-6-27-20-12-16(13-21(28-7-2)23(20)29-8-3)22-17-14-19(26-5)18(25-4)11-15(17)9-10-24-22;/h9-14H,6-8H2,1-5H3;1H",C23H27NO5.ClH,,,,,,PWPKPIKBAPBKRA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.756,225-031-9,4619-66-3,Methyl 2-acetylacetoacetate,methyl 2-acetyl-3-oxobutanoate,COC(=O)C(C(=O)C)C(=O)C,COC(=O)C(C(=O)C)C(=O)C,"InChI=1/C7H10O4/c1-4(8)6(5(2)9)7(10)11-3/h6H,1-3H3",C7H10O4,,,,,,UHCPCQYUMVLUKU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.761,225-037-1,2/04/4622,"2,3-dicyano-p-benzoquinone","3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile",O=C1C=CC(=O)C(=C1C#N)C#N,O=C1C=CC(=O)C(=C1C#N)C#N,InChI=1/C8H2N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2H,C8H2N2O2,,,,,,DNXUGBMARDFRGG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.770,225-047-6,3/07/4630,"[1R-(1a,7ß,8a)]-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene","3-isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene",CC1CCC=C2CCC(CC12C)C(=C)C,CC1CCC=C2CCC(CC12C)C(=C)C,"InChI=1/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3",C15H24,,,,,,QEBNYNLSCGVZOH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.774,225-051-8,4630-95-9,Prifinium bromide,"3-(diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide",[Br-].CC[N+]1(CC)CCC(=C(c2ccccc2)c3ccccc3)C1C,[Br-].CC[N+]1(CC)CCC(=C(c2ccccc2)c3ccccc3)C1C,"InChI=1/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1",C22H28N.Br,,,,,,UCGJZJXOPSNTGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.022.778,225-056-5,4632-96-6,"Sodium 1,4-diisohexyl sulphonatosuccinate","sodium 1,4-bis[(4-methylpentyl)oxy]-1,4-dioxobutane-2-sulfonate",CC(C)CCCOC(=O)CC(C(=O)OCCCC(C)C)S(=O)(=O)O[Na],CC(C)CCCOC(=O)CC(C(=O)OCCCC(C)C)S(=O)(=O)O[Na],"InChI=1/C16H30O7S.Na/c1-12(2)7-5-9-22-15(17)11-14(24(19,20)21)16(18)23-10-6-8-13(3)4;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1/rC16H29NaO7S/c1-12(2)7-5-9-22-15(18)11-14(25(20,21)24-17)16(19)23-10-6-8-13(3)4/h12-14H,5-11H2,1-4H3",C16H30O7S.Na,,,,,,QIZXJUCBIXXCLG-UHFFFAOYSA-M,,,,,,,,,,,
100.022.779,225-057-0,4634-77-9,"5,5-dichlorobicyclo[2.2.1]hept-2-ene","5,5-dichlorobicyclo[2.2.1]hept-2-ene",ClC1(Cl)CC2CC1C=C2,ClC1(Cl)CC2CC1C=C2,"InChI=1/C7H8Cl2/c8-7(9)4-5-1-2-6(7)3-5/h1-2,5-6H,3-4H2",C7H8Cl2,,,,,,LZAIJFHJQZYVLF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.780,225-058-6,4634-89-3,(Z)-hex-4-enal,hex-4-enal,C\\C=C/CCC=O,C\C=C/CCC=O,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3",C6H10O,,,,,,DPCMFIRORYQTCL-IHWYPQMZSA-N,,,,,,,,,,,
100.022.781,225-059-1,4635-59-0,4-chlorobutyryl chloride,4-chlorobutanoyl chloride,ClCCCC(=O)Cl,ClCCCC(=O)Cl,InChI=1/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2,C4H6Cl2O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5789,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.781,CDIIZULDSLKBKV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.689,229-357-2,6486-26-6,"2-[(4-chloro-2-nitrophenyl)azo]-N-(2,4-dimethylphenyl)-3-oxobutyramide","2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide",Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)cc2)[N+]([O-])=O,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)cc2)[N+]([O-])=O,"InChI=1/C18H17ClN4O4/c1-10-4-6-14(11(2)8-10)20-18(25)17(12(3)24)22-21-15-7-5-13(19)9-16(15)23(26)27/h4-9,17H,1-3H3,(H,20,25)",C18H17ClN4O4,,,,,,GPZGURVRGFCPNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.026.690,229-358-8,6486-27-7,"N-(2,4-dimethylphenyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide","N-(2,4-dimethylphenyl)-2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanamide",O=C(Nc1ccc(C)cc1C)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C(C)=O,O=C(Nc1ccc(C)cc1C)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C(C)=O,"InChI=1/C19H20N4O4/c1-11-5-7-15(13(3)9-11)20-19(25)18(14(4)24)22-21-16-8-6-12(2)10-17(16)23(26)27/h5-10,18H,1-4H3,(H,20,25)",C19H20N4O4,,,,,,LYXFVDLRJONRTM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.696,229-365-6,6489-97-0,Metampicillin,"3,3-dimethyl-6-{[(methyleneamino)(phenyl)acetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=C)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=C)c3ccccc3)C(=O)N2[C@H]1C(=O)O,"InChI=1/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)",C17H19N3O4S,,,,,,FZECHKJQHUVANE-MCYUEQNJSA-N,,,,,,,,,,,
100.026.699,229-368-2,6492-66-6,Disodium 5-[[4-[[6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-methylbenzoyl]amino]salicylate,disodium 5-{[4-({6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-3-methylbenzoyl]amino}-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)NC(=O)c5ccc(N=Nc4c(cc3cc(NC(=O)c2ccc(N)c(C)c2)ccc3c4O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)NC(=O)c5ccc(N=Nc4c(cc3cc(NC(=O)c2ccc(N)c(C)c2)ccc3c4O)S([O-])(=O)=O)c(C)c5,"InChI=1/C33H27N5O9S.2Na/c1-16-11-18(3-8-25(16)34)31(41)35-21-5-7-23-20(13-21)14-28(48(45,46)47)29(30(23)40)38-37-26-9-4-19(12-17(26)2)32(42)36-22-6-10-27(39)24(15-22)33(43)44;;/h3-15,39-40H,34H2,1-2H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46,47);;/q;2*+1/p-2",C33H27N5O9S.2Na,,,,,,WKQBFFCERAGAJK-UHFFFAOYSA-L,,,,,,,,,,,
100.019.365,221-301-5,3060-89-7,Metobromuron,3-(4-bromophenyl)-1-methoxy-1-methylurea,CON(C)C(=O)Nc1ccc(Br)cc1,CON(C)C(=O)Nc1ccc(Br)cc1,"InChI=1/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)",C9H11BrN2O2,,,,,,WLFDQEVORAMCIM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.366,221-302-0,3061-42-5,Titanium tetra(octanolate),titanium tetra(octanolate),[Ti+2].[Ti+2].CCCCCCCC[O-].CCCCCCCC[O-].CCCCCCCC[O-].CCCCCCCC[O-],[Ti+2].[Ti+2].CCCCCCCC[O-].CCCCCCCC[O-].CCCCCCCC[O-].CCCCCCCC[O-],"InChI=1/4C8H17O.2Ti/c4*1-2-3-4-5-6-7-8-9;;/h4*2-8H2,1H3;;/q4*-1;2*+2",C8H18O.1/4Ti,,,,,,WQTSSSLCBCUKNM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.367,221-303-6,3061-65-2,1-cyanovinyl acetate,1-cyanovinyl acetate,CC(=O)OC(=C)C#N,CC(=O)OC(=C)C#N,"InChI=1/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3",C5H5NO2,,,,,,LFSHREXVLSTLFB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.372,221-308-3,3063-20-5,Ethylammonium ethyldithiocarbamate,ethanaminium ethyldithiocarbamate,CC[NH3+].CCNC(=S)[S-],CC[NH3+].CCNC(=S)[S-],"InChI=1/C3H7NS2.C2H7N/c1-2-4-3(5)6;1-2-3/h2H2,1H3,(H2,4,5,6);2-3H2,1H3",C3H7NS2.C2H7N,,,,,,XSBNNDUUIRIBKE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.374,221-310-4,3064-70-8,Bis(trichloromethyl) sulphone,bis(trichloromethyl) sulfone,ClC(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)Cl,ClC(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)Cl,"InChI=1/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8",C2Cl6O2S,,,,,,YBNLWIZAWPBUKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.878,222-965-9,3682-35-7,"2,4,6-tris(2-pyridyl)-s-triazine","2,4,6-tripyridin-2-yl-1,3,5-triazine",c1ccc(nc1)c2nc(nc(n2)c3ccccn3)c4ccccn4,c1ccc(nc1)c2nc(nc(n2)c3ccccn3)c4ccccn4,InChI=1/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H,C18H12N6,,,,,,KMVWNDHKTPHDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.879,222-966-4,3682-47-1,"Trisodium 4-hydroxy-5-[(2-hydroxynaphthyl)azo]-3-[(4-sulphonatonaphthyl)azo]naphthalene-2,7-disulphonate","trisodium 4-hydroxy-5-[(2-hydroxy-1-naphthyl)diazenyl]-3-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6ccc(N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O)c5ccccc56,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6ccc(N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O)c5ccccc56,"InChI=1/C30H20N4O11S3.3Na/c35-24-11-9-16-5-1-2-6-19(16)28(24)33-32-23-15-18(46(37,38)39)13-17-14-26(48(43,44)45)29(30(36)27(17)23)34-31-22-10-12-25(47(40,41)42)21-8-4-3-7-20(21)22;;;/h1-15,35-36H,(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C30H20N4O11S3.3Na,,,,,,AENRUBZPRNLXBI-UHFFFAOYSA-K,,,,,,,,,,,
100.020.883,222-971-1,3684-46-6,Broxaldine,"5,7-dibromo-2-methylquinolin-8-yl benzoate",Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1,"InChI=1/C17H11Br2NO2/c1-10-7-8-12-13(18)9-14(19)16(15(12)20-10)22-17(21)11-5-3-2-4-6-11/h2-9H,1H3",C17H11Br2NO2,,,,,,IJTPLVAAROHGGB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.885,222-973-2,3685-38-9,"Amidogen, 9H-carbazol-9-yl(2,4,6-trinitrophenyl)-","N-(2,4,6-trinitrophenyl)-9H-carbazol-9-amine",O=N(=O)c1cc(c(Nn2c3ccccc3c4ccccc24)c(c1)N(=O)=O)N(=O)=O,O=N(=O)c1cc(c(Nn2c3ccccc3c4ccccc24)c(c1)N(=O)=O)N(=O)=O,"InChI=1/C18H11N5O6/c24-21(25)11-9-16(22(26)27)18(17(10-11)23(28)29)19-20-14-7-3-1-5-12(14)13-6-2-4-8-15(13)20/h1-10,19H",C18H10N5O6,,,,,,FRLJBDXFYGRMJG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.886,222-974-8,3685-48-1,3-(3-thienyl)-DL-alanine,3-(3-thienyl)-L-alanine,N[C@@H](Cc1ccsc1)C(O)=O,N[C@@H](Cc1ccsc1)C(O)=O,"InChI=1/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)",C7H9NO2S,,,,,,VOIZSAUUYAGTMS-LURJTMIESA-N,,,,,,,,,,,
100.020.887,222-975-3,3685-84-5,Meclofenoxate hydrochloride,2-(dimethylamino)ethyl (4-chlorophenoxy)acetate hydrochloride,Cl.CN(C)CCOC(=O)COc1ccc(Cl)cc1,Cl.CN(C)CCOC(=O)COc1ccc(Cl)cc1,"InChI=1/C12H16ClNO3.ClH/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;/h3-6H,7-9H2,1-2H3;1H",C12H16ClNO3.ClH,,,,,,FIVHOHCAXWQPGC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.901,222-991-0,3688-75-3,O-ß-D-fructofuranosyl-(1<U+2192>6)-ß-D-fructofuranosyl-a-D-glucopyranoside,hex-2-ulofuranosyl hex-2-ulofuranosyl-(2->6)hexopyranoside,OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O,OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O,"InChI=1/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2",C18H32O16,,,,,,HQFMTRMPFIZQJF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.905,222-995-2,3689-24-5,Sulfotep,"O,O,O,O-tetraethyl dithiodiphosphate",CCOP(=S)(OCC)OP(=S)(OCC)OCC,CCOP(=S)(OCC)OP(=S)(OCC)OCC,"InChI=1/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3",C8H20O5P2S2,,,,,,XIUROWKZWPIAIB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.738,217-311-4,1808-63-5,"3ß-hydroxy-16-methylpregna-5,16-dien-20-one","3-hydroxy-16-methylpregna-5,16-dien-20-one",CC(=O)C1=C(C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)C1=C(C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5,16-19,24H,6-12H2,1-4H3",C22H32O2,,,,,,WYOKDIKHIXWWOC-LXIBVNSESA-N,,,,,,,,,,,
100.015.739,217-313-5,1809-05-8,3-iodopentane,3-iodopentane,CCC(I)CC,CCC(I)CC,"InChI=1/C5H11I/c1-3-5(6)4-2/h5H,3-4H2,1-2H3",C5H11I,,,,,,VRQDQJYBWZERBW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.716,218-387-1,2139-47-1,Nifenazone,"N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)nicotinamide",CN1N(C(=O)C(=C1C)NC(=O)c2cccnc2)c3ccccc3,CN1N(C(=O)C(=C1C)NC(=O)c2cccnc2)c3ccccc3,"InChI=1/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)",C17H16N4O2,,,,,,BRZANEXCSZCZCI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.723,218-395-5,2142-01-0,N-benzylphthalimide,"2-benzyl-1H-isoindole-1,3(2H)-dione",O=C1N(Cc2ccccc2)C(=O)c3ccccc13,O=C1N(Cc2ccccc2)C(=O)c3ccccc13,"InChI=1/C15H11NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2",C15H11NO2,,,,,,WITXFYCLPDFRNM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.727,218-399-7,2142-73-6,"1-(2,5-dimethylphenyl)ethan-1-one","1-(2,5-dimethylphenyl)ethanone",CC(=O)c1cc(C)ccc1C,CC(=O)c1cc(C)ccc1C,"InChI=1/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3",C10H12O,,,,,,AWKBVLVKQQRRFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.731,218-403-7,2144-00-5,Naphthalene-1-carbaldehyde (1-naphthylmethylene)hydrazone,bis(1-naphthylmethylene)hydrazine,c3cccc4cccc(C=NN=Cc2cccc1ccccc12)c34,c3cccc4cccc(C=NN=Cc2cccc1ccccc12)c34,InChI=1/C22H16N2/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-24-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H,C22H16N2,,,,,,QBEFRSDYCFCLQT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.732,218-404-2,3/08/2144,"2,3,4-trihydroxybenzaldehyde","2,3,4-trihydroxybenzaldehyde",Oc1ccc(C=O)c(O)c1O,Oc1ccc(C=O)c(O)c1O,"InChI=1/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11H",C7H6O4,,,,,,CRPNQSVBEWWHIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.737,218-410-5,2145-14-4,"Pregna-1,4-diene-3,20-dione, 6-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (6a,11ß,16a)-","Pregna-1,4-diene-3,20-dione, 6-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (6alpha,11beta,16alpha)-",[Na+].[Na+].C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,[Na+].[Na+].C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,"InChI=1/C22H30FO8P.2Na/c1-11-6-14-13-8-16(23)15-7-12(24)4-5-20(15,2)19(13)17(25)9-21(14,3)22(11,27)18(26)10-31-32(28,29)30;;/h4-5,7,11,13-14,16-17,19,25,27H,6,8-10H2,1-3H3,(H2,28,29,30);;/q;2*+1",C22H30FO8P.2Na,,,,,,MHQJKNHAJIVSPW-ZDKQYMEBSA-N,,,,,,,,,,,
100.022.322,224-552-9,4405-17-8,"2,2'-methylenebis[1,3-dioxolane]","2,2'-methylenebis(1,3-dioxolane)",C(C1OCCO1)C2OCCO2,C(C1OCCO1)C2OCCO2,"InChI=1/C7H12O4/c1-2-9-6(8-1)5-7-10-3-4-11-7/h6-7H,1-5H2",C7H12O4,,,,,,DIMWHKNNIBAPFI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.325,224-556-0,4408-60-0,"(2,4,6-trimethylphenyl)acetic acid",mesitylacetic acid,Cc1cc(C)c(CC(=O)O)c(C)c1,Cc1cc(C)c(CC(=O)O)c(C)c1,"InChI=1/C11H14O2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H,12,13)",C11H14O2,,,,,,CQWMQAKKAHTCSC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.332,224-563-9,4410-99-5,2-phenylethanethiol,2-phenylethanethiol,SCCc1ccccc1,SCCc1ccccc1,"InChI=1/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",C8H10S,,,,,,ZMRFRBHYXOQLDK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.334,224-566-5,4411-80-7,"6,6'-dimethyl-2,2'-bipyridine","6,6'-dimethyl-2,2'-bipyridine",Cc1cccc(n1)c2cccc(C)n2,Cc1cccc(n1)c2cccc(C)n2,"InChI=1/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3",C12H12N2,,,,,,OHJPGUSXUGHOGE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.337,224-569-1,4412-16-2,Dodec-2-enoic acid,dodec-2-enoic acid,OC(=O)C=CCCCCCCCCC,OC(=O)C=CCCCCCCCCC,"InChI=1/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)",C12H22O2,,,,,,PAWGRNGPMLVJQH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.346,224-579-6,4417-83-8,N-(aminoiminomethyl)butyramide,N-carbamimidoylbutanamide,CCCC(=O)NC(=N)N,CCCC(=O)NC(=N)N,"InChI=1/C5H11N3O/c1-2-3-4(9)8-5(6)7/h2-3H2,1H3,(H4,6,7,8,9)",C5H11N3O,,,,,,OZRCULZKJLSCQW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.347,224-580-1,4418-26-2,"Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate","sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate",[Na+].CC([O-])=C1C(=O)/C=C(/C)OC1=O,[Na+].CC([O-])=C1C(=O)/C=C(/C)OC1=O,"InChI=1/C8H8O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3,9H,1-2H3;/q;+1/p-1",C8H7O4.Na,,,,,,DSOWAKKSGYUMTF-UHFFFAOYSA-M,,,,,,,,,,,
100.022.359,224-593-2,4421-50-5,4-[benzyl(methyl)amino]-3-ethoxybenzenediazonium tetrachlorozincate (2:1),bis{4-[benzyl(methyl)amino]-3-ethoxybenzenediazonium} tetrachlorozincate(2-),CCOc1cc(ccc1N(C)Cc2ccccc2)[N+]#N.CCOc3cc(ccc3N(C)Cc4ccccc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc(ccc1N(C)Cc2ccccc2)[N+]#N.CCOc3cc(ccc3N(C)Cc4ccccc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C16H18N3O.4ClH.Zn/c2*1-3-20-16-11-14(18-17)9-10-15(16)19(2)12-13-7-5-4-6-8-13;;;;;/h2*4-11H,3,12H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C16H18N3O.Cl4Zn/c2*1-3-20-16-11-14(18-17)9-10-15(16)19(2)12-13-7-5-4-6-8-13;1-5(2,3)4/h2*4-11H,3,12H2,1-2H3;/q2*+1;-2",C16H18N3O.1/2Cl4Zn,,,,,,UIXQZNXHIDUPCB-UHFFFAOYSA-J,,,,,,,,,,,
100.022.363,224-597-4,4424-06-0,"Bisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione","bisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione",O=C1c2ccc3c4nc5ccccc5n4C(=O)c6ccc(c7nc8ccccc8n17)c2c36,O=C1c2ccc3c4nc5ccccc5n4C(=O)c6ccc(c7nc8ccccc8n17)c2c36,InChI=1/C26H12N4O2/c31-25-15-12-10-14-22-16(26(32)30-20-8-4-2-6-18(20)28-24(14)30)11-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h1-12H,C26H12N4O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18833,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.363,DGBWPZSGHAXYGK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.417,243-375-8,19855-52-8,Allyl oleate,allyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC=C,CCCCCCCC\C=C/CCCCCCCC(=O)OCC=C,"InChI=1/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h4,11-12H,2-3,5-10,13-20H2,1H3",C21H38O2,,,,,,SOAVQBSGNVIIEI-QXMHVHEDSA-N,,,,,,,,,,,
100.039.420,243-378-4,19856-23-6,Sodium 4-oxovalerate,sodium 4-oxopentanoate,[Na+].CC(=O)CCC(=O)[O-],[Na+].CC(=O)CCC(=O)[O-],"InChI=1/C5H8O3.Na/c1-4(6)2-3-5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1",C5H8O3.Na,,,,,,RDKYCKDVIYTSAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.039.424,243-383-1,19867-34-6,"6-benzyl-1-oxa-6-azaspiro[2,5]octane",6-benzyl-1-oxa-6-azaspiro[2.5]octane,C(N1CCC2(CC1)CO2)c3ccccc3,C(N1CCC2(CC1)CO2)c3ccccc3,"InChI=1/C13H17NO/c1-2-4-12(5-3-1)10-14-8-6-13(7-9-14)11-15-13/h1-5H,6-11H2",C13H17NO,,,,,,KJKHFQBTYMJFNP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.425,243-384-7,19870-74-7,"[3R-(3a,3aß,6ß,7ß,8aa)]-octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene",8-methoxycedrane,COC1(C)CCC23CC1C(C)(C)C2CCC3C,COC1(C)CCC23CC1C(C)(C)C2CCC3C,"InChI=1/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3",C16H28O,,,,,,HRGPYCVTDOECMG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.432,243-392-0,19879-84-6,"1-thio-ß-D-glucose 2,3,4,6-tetraacetate","2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose",S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,"InChI=1/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3",C14H20O9S,,,,,,SFOZKJGZNOBSHF-RGDJUOJXSA-N,,,,,,,,,,,
100.039.434,243-394-1,19881-36-8,Diethyl[2-(4-nitrophenoxy)ethyl]amine,"N,N-diethyl-2-(4-nitrophenoxy)ethanamine",CCN(CC)CCOc1ccc(cc1)[N+](=O)[O-],CCN(CC)CCOc1ccc(cc1)[N+](=O)[O-],"InChI=1/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3",C12H18N2O3,,,,,,ZLZZAXUKBHFTHA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.435,243-395-7,19881-53-9,Ethyl 3-phenyl-DL-alaninate hydrochloride,ethyl L-phenylalaninate hydrochloride,Cl.CCOC(=O)[C@@H](N)Cc1ccccc1,Cl.CCOC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C11H15NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H",C11H15NO2.ClH,,,,,,FPFQPLFYTKMCHN-PPHPATTJSA-N,,,,,,,,,,,
100.039.439,243-399-9,19883-41-1,Methyl (R)-aminophenylacetate hydrochloride,methyl amino(phenyl)acetate hydrochloride,Cl.COC(=O)[C@H](N)c1ccccc1,Cl.COC(=O)[C@H](N)c1ccccc1,"InChI=1/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H",C9H11NO2.ClH,,,,,,DTHMTBUWTGVEFG-DDWIOCJRSA-N,,,,,,,,,,,
100.022.111,224-321-2,4309-70-0,Novobiocin calcium,-,[Ca+2].CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C,[Ca+2].CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C,"InChI=1/C31H36N2O11.Ca/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+2",C31H36N2O11.1/2Ca,,,,,,UWKHEPUNJKLDSJ-RNROJPEYSA-N,,,,,,,,,,,
100.022.114,224-324-9,4310-87-6,Ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate,ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(CCC(=O)c2ccccc2)CC1)c3ccccc3,CCOC(=O)C1(CCN(CCC(=O)c2ccccc2)CC1)c3ccccc3,"InChI=1/C23H27NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3",C23H27NO3,,,,,,NCYHUVAPYMVPKC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.115,224-325-4,4310-89-8,Hedaquinium chloride,"2,2'-hexadecane-1,16-diyldiisoquinolinium dichloride",[Cl-].[Cl-].C(CCCCCCCC[n+]1ccc2ccccc2c1)CCCCCCC[n+]3ccc4ccccc4c3,[Cl-].[Cl-].C(CCCCCCCC[n+]1ccc2ccccc2c1)CCCCCCC[n+]3ccc4ccccc4c3,"InChI=1/C34H46N2.2ClH/c1(3-5-7-9-11-17-25-35-27-23-31-19-13-15-21-33(31)29-35)2-4-6-8-10-12-18-26-36-28-24-32-20-14-16-22-34(32)30-36;;/h13-16,19-24,27-30H,1-12,17-18,25-26H2;2*1H/q+2;;/p-2",C34H46N2.2Cl,,,,,,KZUZUJNAVUAVOW-UHFFFAOYSA-L,,,,,,,,,,,
100.017.501,219-249-3,2396-43-2,"2,4,6-tripropyl-1,3,5-trioxane","2,4,6-tripropyl-1,3,5-trioxane",CCCC1OC(CCC)OC(CCC)O1,CCCC1OC(CCC)OC(CCC)O1,"InChI=1/C12H24O3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h10-12H,4-9H2,1-3H3",C12H24O3,,,,,,OXSRKPVVVMMMER-UHFFFAOYSA-N,,,,,,,,,,,
100.017.511,219-260-3,2397-00-4,"2,2'-(vinylenedi-p-phenylene)bis[5-methylbenzoxazole]","2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(5-methyl-1,3-benzoxazole)",Cc1ccc2oc(nc2c1)c3ccc(C=Cc4ccc(cc4)c5oc6ccc(C)cc6n5)cc3,Cc1ccc2oc(nc2c1)c3ccc(C=Cc4ccc(cc4)c5oc6ccc(C)cc6n5)cc3,"InChI=1/C30H22N2O2/c1-19-3-15-27-25(17-19)31-29(33-27)23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)30-32-26-18-20(2)4-16-28(26)34-30/h3-18H,1-2H3",C30H22N2O2,,,,,,OKEZAUMKBWTTCR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.514,219-264-5,2398-37-0,3-bromoanisole,1-bromo-3-methoxybenzene,COc1cccc(Br)c1,COc1cccc(Br)c1,"InChI=1/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3",C7H7BrO,,,,,,PLDWAJLZAAHOGG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.517,219-267-1,2399-18-0,Methyl 2-bromo-2-ethylbutyrate,methyl 2-bromo-2-ethylbutanoate,CCC(Br)(CC)C(=O)OC,CCC(Br)(CC)C(=O)OC,"InChI=1/C7H13BrO2/c1-4-7(8,5-2)6(9)10-3/h4-5H2,1-3H3",C7H13BrO2,,,,,,GYXGJKGWKZTXMX-UHFFFAOYSA-N,,,,,,,,,,,
100.026.702,229-371-9,6492-81-5,"4,4'-dichloro-2,2'-dimethoxy-5,5'-dimethyl-a,a'-terephthaloyldiacetanilide","3,3'-(1,4-phenylene)bis[N-(4-chloro-2-methoxy-5-methylphenyl)-3-oxopropanamide]",COc1cc(Cl)c(C)cc1NC(=O)CC(=O)c2ccc(cc2)C(=O)CC(=O)Nc3cc(C)c(Cl)cc3OC,COc1cc(Cl)c(C)cc1NC(=O)CC(=O)c2ccc(cc2)C(=O)CC(=O)Nc3cc(C)c(Cl)cc3OC,"InChI=1/C28H26Cl2N2O6/c1-15-9-21(25(37-3)11-19(15)29)31-27(35)13-23(33)17-5-7-18(8-6-17)24(34)14-28(36)32-22-10-16(2)20(30)12-26(22)38-4/h5-12H,13-14H2,1-4H3,(H,31,35)(H,32,36)",C28H26Cl2N2O6,,,,,,VXHLISXRMLVWHM-UHFFFAOYSA-N,,,,,,,,,,,
100.026.703,229-372-4,6492-86-0,"4-aminonaphthalene-1,8-dicarboxylic anhydride","8,8'-(oxydicarbonyl)bis(5-amino-1-naphthoic acid)",Nc1ccc(C(=O)OC(=O)c2ccc(N)c3cccc(C(=O)O)c23)c4c(cccc14)C(=O)O,Nc1ccc(C(=O)OC(=O)c2ccc(N)c3cccc(C(=O)O)c23)c4c(cccc14)C(=O)O,"InChI=1/C24H16N2O7/c25-17-9-7-15(19-11(17)3-1-5-13(19)21(27)28)23(31)33-24(32)16-8-10-18(26)12-4-2-6-14(20(12)16)22(29)30/h1-10H,25-26H2,(H,27,28)(H,29,30)",C12H7NO3,,,,,,DEFOGYJKXSJKKO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.705,229-375-0,6493-58-9,"2-(6-methyl-2-quinolyl)-1H-indene-1,3(2H)-dione","2-(6-methylquinolin-2-yl)-1H-indene-1,3(2H)-dione",Cc1ccc2nc(ccc2c1)C3C(=O)c4ccccc4C3=O,Cc1ccc2nc(ccc2c1)C3C(=O)c4ccccc4C3=O,"InChI=1/C19H13NO2/c1-11-6-8-15-12(10-11)7-9-16(20-15)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3",C19H13NO2,,,,,,VAIIGTVFJAYEKS-UHFFFAOYSA-N,,,,,,,,,,,
100.026.710,229-380-8,6498-82-4,2-(aziridin-1-yl)ethyl acrylate,2-aziridin-1-ylethyl acrylate,C=CC(=O)OCCN1CC1,C=CC(=O)OCCN1CC1,"InChI=1/C7H11NO2/c1-2-7(9)10-6-5-8-3-4-8/h2H,1,3-6H2",C7H11NO2,,,,,,MUEGIVAMQURJQO-UHFFFAOYSA-N,,,,,,,,,,,
100.026.711,229-381-3,6500-28-3,Decyl 2-nitrobenzoate,decyl 2-nitrobenzoate,CCCCCCCCCCOC(=O)c1ccccc1[N+](=O)[O-],CCCCCCCCCCOC(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C17H25NO4/c1-2-3-4-5-6-7-8-11-14-22-17(19)15-12-9-10-13-16(15)18(20)21/h9-10,12-13H,2-8,11,14H2,1H3",C17H25NO4,,,,,,SJJAUALFDHHSCH-UHFFFAOYSA-N,,,,,,,,,,,
100.026.714,229-385-5,6502-23-4,2'-isopropyl-2-methylcinnamaldehyde,3-(2-isopropylphenyl)-2-methylacrylaldehyde,CC(C)c1ccccc1C=C(C)C=O,CC(C)c1ccccc1C=C(C)C=O,"InChI=1/C13H16O/c1-10(2)13-7-5-4-6-12(13)8-11(3)9-14/h4-10H,1-3H3",C13H16O,,,,,,BHGPJFYAYGPWHG-UHFFFAOYSA-N,,,,,,,,,,,
100.026.716,229-387-6,6505-12-0,"Trisodium 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate","trisodium 5-{[4'-({8-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfonato-2-naphthyl}diazenyl)-3,3'-dimethylbiphenyl-4-yl]diazenyl}-2-hydroxybenzoate",[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c6ccc(N=Nc5c(cc4cc(cc(N=Nc3ccc(N)cc3N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c6,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c6ccc(N=Nc5c(cc4cc(cc(N=Nc3ccc(N)cc3N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c6,"InChI=1/C37H30N8O10S2.3Na/c1-18-11-20(3-7-28(18)41-40-24-6-10-32(46)26(16-24)37(48)49)21-4-8-29(19(2)12-21)42-45-35-33(57(53,54)55)14-22-13-25(56(50,51)52)17-31(34(22)36(35)47)44-43-30-9-5-23(38)15-27(30)39;;;/h3-17,46-47H,38-39H2,1-2H3,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C37H30N8O10S2.3Na,,,,,,KORMHKTWOJTCBN-UHFFFAOYSA-K,,,,,,,,,,,
100.026.717,229-388-1,6505-28-8,"2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]","2,2'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-oxo-N-phenylbutanamide)",COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(OC)c4,COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(OC)c4,"InChI=1/C34H32N6O6/c1-21(41)31(33(43)35-25-11-7-5-8-12-25)39-37-27-17-15-23(19-29(27)45-3)24-16-18-28(30(20-24)46-4)38-40-32(22(2)42)34(44)36-26-13-9-6-10-14-26/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)",C34H32N6O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16885,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.717,DMPXHEMGDYKSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.026.721,229-392-3,6505-58-4,"2-(5-oxobenzo[4,5]phenaleno[1,9-bc]thien-2(5H)-ylidenebenzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one","2-(7-buta-1,3-dien-1-yl-5-oxophenaleno[1,9-bc]thiophen-2(5H)-ylidene)benzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one",C=CC=CC1=CC(=O)c2ccc3C(=C4Sc5ccc6c7ccccc7C(=O)c8ccc4c5c68)Sc9ccc1c2c39,C=CC=CC1=CC(=O)c2ccc3C(=C4Sc5ccc6c7ccccc7C(=O)c8ccc4c5c68)Sc9ccc1c2c39,"InChI=1/C36H18O2S2/c1-2-3-6-18-17-27(37)23-9-11-25-32-28(15-13-19(18)30(23)32)39-35(25)36-26-12-10-24-31-21(14-16-29(40-36)33(26)31)20-7-4-5-8-22(20)34(24)38/h2-17H,1H2",C36H16O2S2,,,,,,DWQHDJBVNXQBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.232,233-270-5,10102-24-6,Dilithium metasilicate,dilithium oxosilanediolate,[Li+].[Li+].[O-][Si](=O)[O-],[Li+].[Li+].[O-][Si](=O)[O-],InChI=1/2Li.O3Si/c;;1-4(2)3/q2*+1;-2,H2O3Si.2Li,,,,,,PAZHGORSDKKUPI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.236,233-274-7,10102-49-5,Iron arsenate,iron(3+) arsenate,[Fe+3].[O-][As]([O-])([O-])=O,[Fe+3].[O-][As]([O-])([O-])=O,"InChI=1/AsH3O4.Fe/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+3/p-3",AsH3O4.Fe,,,,,,BMWMWYBEJWFCJI-UHFFFAOYSA-K,,,,,,,,,,,
100.030.238,233-276-8,10102-68-8,Calcium iodide,calcium diiodide,[Ca+2].[I-].[I-],[Ca+2].[I-].[I-],InChI=1/Ca.2HI/h;2*1H/q+2;;/p-2,CaI2,,,,,,UNMYWSMUMWPJLR-UHFFFAOYSA-L,,,,,,,,,,,
100.030.240,233-278-9,10102-75-7,Calcium bromate,calcium dibromate,[Ca+2].[O-]Br(=O)=O.[O-]Br(=O)=O,[Ca+2].[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/2BrHO3.Ca/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",BrHO3.1/2Ca,,,,,,GROPHIUSZODNGU-UHFFFAOYSA-L,,,,,,,,,,,
100.015.741,217-315-6,1809-14-9,Dioctyl phosphonate,dioctyl phosphonate,CCCCCCCCOP(=O)OCCCCCCCC,CCCCCCCCOP(=O)OCCCCCCCC,"InChI=1/C16H35O3P/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2/h20H,3-16H2,1-2H3",C16H35O3P,,,,,,CYXGBTZYTXLVDN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.742,217-316-1,1809-19-4,Dibutyl phosphonate,dibutyl phosphonate,CCCCOP(=O)OCCCC,CCCCOP(=O)OCCCC,"InChI=1/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3",C8H19O3P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5602,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.742,NFJPGAKRJKLOJK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.743,217-317-7,1809-20-7,Diisopropyl phosphonate,diisopropyl phosphonate,CC(C)OP(=O)OC(C)C,CC(C)OP(=O)OC(C)C,"InChI=1/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3",C6H15O3P,,,,,,BLKXLEPPVDUHBY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.744,217-318-2,1809-21-8,Dipropyl phosphonate,dipropyl phosphonate,CCCOP(=O)OCCC,CCCOP(=O)OCCC,"InChI=1/C6H15O3P/c1-3-5-8-10(7)9-6-4-2/h10H,3-6H2,1-2H3",C6H15O3P,,,,,,PVBGKAMVCZUNFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.878,216-365-6,1565-76-0,"[1R-(1a,2ß,5a)]-1-(isopropyl)-2-methoxy-4-methylcyclohexane",1-isopropyl-2-methoxy-4-methylcyclohexane,COC1CC(C)CCC1C(C)C,COC1CC(C)CCC1C(C)C,"InChI=1/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3",C11H22O,,,,,,JDGJLPHFRJNJMN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.887,216-375-0,1569-15-9,"7-amino-4-methyl-1,8-naphthyridin-2-ol","7-amino-4-methyl-1,8-naphthyridin-2-ol",Cc1cc(O)nc2nc(N)ccc12,Cc1cc(O)nc2nc(N)ccc12,"InChI=1/C9H9N3O/c1-5-4-8(13)12-9-6(5)2-3-7(10)11-9/h2-4H,1H3,(H3,10,11,12,13)",C9H9N3O,,,,,,URBSEJOKAKIABF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.896,216-385-5,1571-08-0,Methyl 4-formylbenzoate,methyl 4-formylbenzoate,COC(=O)c1ccc(C=O)cc1,COC(=O)c1ccc(C=O)cc1,"InChI=1/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3",C9H8O3,,,,,,FEIOASZZURHTHB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.899,216-388-1,1571-33-1,Phenylphosphonic acid,phenylphosphonic acid,OP(=O)(O)c1ccccc1,OP(=O)(O)c1ccccc1,"InChI=1/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",C6H7O3P,,,,,,QLZHNIAADXEJJP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.900,216-389-7,1571-36-4,"Diammonium 4,4'-bis[(3,4-dihydroxyphenyl)azo]stilbene-2,2'-disulphonate","diammonium 2,2'-ethene-1,2-diylbis{5-[(3,4-dihydroxyphenyl)diazenyl]benzenesulfonate}",[NH4+].[NH4+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)c(O)c1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4O,[NH4+].[NH4+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)c(O)c1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4O,"InChI=1/C26H20N4O10S2.2H3N/c31-21-9-7-17(11-23(21)33)27-29-19-5-3-15(25(13-19)41(35,36)37)1-2-16-4-6-20(14-26(16)42(38,39)40)30-28-18-8-10-22(32)24(34)12-18;;/h1-14,31-34H,(H,35,36,37)(H,38,39,40);2*1H3",C26H20N4O10S2.2H3N,,,,,,BTVLOQLIWTZBDD-ZFEDVODKSA-N,,,,,,,,,,,
100.014.901,216-390-2,1571-72-8,3-amino-4-hydroxybenzoic acid,3-amino-4-hydroxybenzoic acid,Nc1cc(ccc1O)C(=O)O,Nc1cc(ccc1O)C(=O)O,"InChI=1/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)",C7H7NO3,,,,,,MRBKRZAPGUCWOS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.912,216-402-6,1575-59-3,4-oxoisocrotonic acid,4-oxobut-2-enoic acid,OC(=O)\\C=C/C=O,OC(=O)\C=C/C=O,"InChI=1/C4H4O3/c5-3-1-2-4(6)7/h1-3H,(H,6,7)",C4H4O3,,,,,,ZOIRMVZWDRLJPI-UPHRSURJSA-N,,,,,,,,,,,
100.039.409,243-366-9,19845-37-5,1-[bis(2-hydroxyethyl)amino]hexadecan-2-ol,1-[bis(2-hydroxyethyl)amino]hexadecan-2-ol,CCCCCCCCCCCCCCC(O)CN(CCO)CCO,CCCCCCCCCCCCCCC(O)CN(CCO)CCO,"InChI=1/C20H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-21(15-17-22)16-18-23/h20,22-24H,2-19H2,1H3",C20H43NO3,,,,,,GGHQVHKMWVITSI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.418,243-376-3,19855-56-2,Calcium fumarate (1:1),calcium but-2-enedioate,[CaH2].[O-]C(=O)\\C=C\\C(=O)[O-],[CaH2].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.Ca.2H/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/q;+2;;/p-2/rC4H4O4.CaH2/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);1H2/q;+2/p-2",C4H4O4.Ca,,,,,,BCNKQFGYNMWTRX-YOTINIEPSA-L,,,,,,,,,,,
100.039.421,243-380-5,19856-32-7,Barium sebacate,barium sebacate,[Ba+2].[O-]C(=O)CCCCCCCCC(=O)[O-],[Ba+2].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/C10H18O4.Ba/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H,11,12)(H,13,14);/q;+2/p-2",C10H18O4.Ba,,,,,,QYPYUAWNRNUADX-UHFFFAOYSA-L,,,,,,,,,,,
100.039.422,243-381-0,19858-14-1,(methoxymethyl)thiirane,2-(methoxymethyl)thiirane,COCC1CS1,COCC1CS1,"InChI=1/C4H8OS/c1-5-2-4-3-6-4/h4H,2-3H2,1H3",C4H8OS,,,,,,SVUNGRWSYPGFNP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.426,243-385-2,19870-75-8,8-propoxycedrane,8-propoxycedrane,CCCO[C@@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,CCCO[C@@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,"InChI=1/C18H32O/c1-6-11-19-17(5)9-10-18-12-15(17)16(3,4)14(18)8-7-13(18)2/h13-15H,6-12H2,1-5H3",C18H32O,,,,,,TUDJGTBGFVLELQ-DZXRDFMUSA-N,,,,,,,,,,,
100.039.431,243-391-5,19878-87-6,"Tris(hydroxyacetato-O1,O2)aluminium",aluminum tris(hydroxyacetate),OCC(=O)O[Al](OC(=O)CO)OC(=O)CO,OCC(=O)O[Al](OC(=O)CO)OC(=O)CO,"InChI=1/3C2H4O3.Al/c3*3-1-2(4)5;/h3*3H,1H2,(H,4,5);/q;;;+3/p-3",C6H9AlO9,,,,,,XWTXZJITNNRDLC-UHFFFAOYSA-K,,,,,,,,,,,
100.039.436,243-396-2,19883-26-2,"(Z,Z)-undeca-1,3,5-triene","undeca-1,3,5-triene",CCCCC\\C=C/C=C\\C=C,CCCCC\C=C/C=C\C=C,"InChI=1/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3",C11H18,,,,,,JQQDKNVOSLONRS-CXHWBCNXSA-N,,,,,,,,,,,
100.022.365,224-600-9,4424-87-7,"Benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5H,14H)-tetrone","benzo[1,2-c:4,5-c']diacridine-6,9,15,18(5H,14H)-tetrone",O=C1c2ccccc2Nc3c1ccc4C(=O)c5c6Nc7ccccc7C(=O)c6ccc5C(=O)c34,O=C1c2ccccc2Nc3c1ccc4C(=O)c5c6Nc7ccccc7C(=O)c6ccc5C(=O)c34,"InChI=1/C28H14N2O4/c31-25-13-5-1-3-7-19(13)29-23-17(25)11-9-15-21(23)27(33)16-10-12-18-24(22(16)28(15)34)30-20-8-4-2-6-14(20)26(18)32/h1-12H,(H,29,31)(H,30,32)",C28H14N2O4,,,,,,KLCBMAACUWYFIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.120,222-130-9,3363-56-2,"2,5,6-trimethylbenzimidazole","2,5,6-trimethyl-1H-benzimidazole",Cc1cc2nc(C)[nH]c2cc1C,Cc1cc2nc(C)[nH]c2cc1C,"InChI=1/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)",C10H12N2,,,,,,AFNRMRFWCAJQGP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.121,222-131-4,3363-58-4,Nifurfoline,"3-(morpholin-4-ylmethyl)-1-{[(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione",[O-][N+](=O)c1ccc(o1)C=NN3CC(=O)N(CN2CCOCC2)C3=O,[O-][N+](=O)c1ccc(o1)C=NN3CC(=O)N(CN2CCOCC2)C3=O,"InChI=1/C13H15N5O6/c19-11-8-17(14-7-10-1-2-12(24-10)18(21)22)13(20)16(11)9-15-3-5-23-6-4-15/h1-2,7H,3-6,8-9H2",C13H15N5O6,,,,,,WCEJYDIWHURKJX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.627,224-888-6,4538-56-1,"N,N-diphenylformamidine","N,N-diphenylimidoformamide",N=CN(c1ccccc1)c2ccccc2,N=CN(c1ccccc1)c2ccccc2,"InChI=1/C13H12N2/c14-11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H",C13H12N2,,,,,,XXTISPYPIAPDGY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.633,224-894-9,4542-47-6,3-morpholinopropiononitrile,3-morpholin-4-ylpropanenitrile,N#CCCN1CCOCC1,N#CCCN1CCOCC1,"InChI=1/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2",C7H12N2O,,,,,,WXVKGHVDWWXBJX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.634,224-895-4,4542-57-8,"1,1'-oxybisdodecane","1,1'-oxydidodecane",CCCCCCCCCCCCOCCCCCCCCCCCC,CCCCCCCCCCCCOCCCCCCCCCCCC,"InChI=1/C24H50O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50O,,,,,,CMCBDXRRFKYBDG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.636,224-898-0,4543-33-3,"1,3,6,8-tetranitrocarbazole","1,3,6,8-tetranitro-9H-carbazole",[O-][N+](=O)c1cc(c2[nH]c3c(cc(cc3c2c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c2[nH]c3c(cc(cc3c2c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H5N5O8/c18-14(19)5-1-7-8-2-6(15(20)21)4-10(17(24)25)12(8)13-11(7)9(3-5)16(22)23/h1-4,13H",C12H5N5O8,,,,,,JUSWGNJYSBSOFM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.637,224-899-6,4543-66-2,Dodecanedinitrile,dodecanedinitrile,N#CCCCCCCCCCCC#N,N#CCCCCCCCCCCC#N,InChI=1/C12H20N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10H2,C12H20N2,,,,,,AVQYXBDAZWIFTO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.642,224-905-7,4547-58-4,Ethyl (4-butoxyphenyl)acetate,ethyl (4-butoxyphenyl)acetate,CCCCOc1ccc(CC(=O)OCC)cc1,CCCCOc1ccc(CC(=O)OCC)cc1,"InChI=1/C14H20O3/c1-3-5-10-17-13-8-6-12(7-9-13)11-14(15)16-4-2/h6-9H,3-5,10-11H2,1-2H3",C14H20O3,,,,,,PUIBRHJUTVHVPI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.644,224-907-8,4548-27-0,N-[(2-methylpropoxy)methyl]methacrylamide,N-(isobutoxymethyl)-2-methylacrylamide,CC(C)COCNC(=O)C(=C)C,CC(C)COCNC(=O)C(=C)C,"InChI=1/C9H17NO2/c1-7(2)5-12-6-10-9(11)8(3)4/h7H,3,5-6H2,1-2,4H3,(H,10,11)",C9H17NO2,,,,,,TWYISXLZCIVDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.648,224-912-5,4549-32-0,"1,8-dibromooctane","1,8-dibromooctane",BrCCCCCCCCBr,BrCCCCCCCCBr,InChI=1/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2,C8H16Br2,,,,,,DKEGCUDAFWNSSO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.651,224-915-1,4550-36-1,"4,4'-veratrylidenebis[N,N-diethyl-m-toluidine]","4,4'-[(3,4-dimethoxyphenyl)methylene]bis(N,N-diethyl-3-methylaniline)",CCN(CC)c1ccc(C(c2ccc(OC)c(OC)c2)c3ccc(cc3C)N(CC)CC)c(C)c1,CCN(CC)c1ccc(C(c2ccc(OC)c(OC)c2)c3ccc(cc3C)N(CC)CC)c(C)c1,"InChI=1/C31H42N2O2/c1-9-32(10-2)25-14-16-27(22(5)19-25)31(24-13-18-29(34-7)30(21-24)35-8)28-17-15-26(20-23(28)6)33(11-3)12-4/h13-21,31H,9-12H2,1-8H3",C31H42N2O2,,,,,,GMCQSPGEAQSJAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.653,224-917-2,4551-59-1,Fenalamide,ethyl 2-{[2-(diethylamino)ethyl]carbamoyl}-2-phenylbutanoate,CCOC(=O)C(CC)(C(=O)NCCN(CC)CC)c1ccccc1,CCOC(=O)C(CC)(C(=O)NCCN(CC)CC)c1ccccc1,"InChI=1/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)",C19H30N2O3,,,,,,RMQKPRRJSKFBRU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.657,224-921-4,5/07/4553,Ethyl phenylcyanoacetate,ethyl cyano(phenyl)acetate,CCOC(=O)C(C#N)c1ccccc1,CCOC(=O)C(C#N)c1ccccc1,"InChI=1/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3",C11H11NO2,,,,,,SXIRJEDGTAKGKU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.658,224-923-5,4553-62-2,2-methylglutaronitrile,2-methylpentanedinitrile,CC(CCC#N)C#N,CC(CCC#N)C#N,"InChI=1/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3",C6H8N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11827,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.658,FPPLREPCQJZDAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.660,224-925-6,4554-16-9,"2,3-dibromopropiononitrile","2,3-dibromopropanenitrile",BrCC(Br)C#N,BrCC(Br)C#N,"InChI=1/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2",C3H3Br2N,,,,,,ARRIEYYNOLTVTE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.661,224-926-1,4556-23-4,Pyridine-4-thiol,pyridine-4-thiol,Sc1ccncc1,Sc1ccncc1,"InChI=1/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)",C5H5NS,,,,,,FHTDDANQIMVWKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.527,219-278-1,2401-73-2,"1,3-dichloro-1,1,3,3-tetramethyldisiloxane","1,3-dichloro-1,1,3,3-tetramethyldisiloxane",C[Si](C)(Cl)O[Si](C)(C)Cl,C[Si](C)(Cl)O[Si](C)(C)Cl,"InChI=1/C4H12Cl2OSi2/c1-8(2,5)7-9(3,4)6/h1-4H3",C4H12Cl2OSi2,,,,,,DMEXFOUCEOWRGD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.529,219-280-2,2402-58-6,Didodecyl fumarate,didodecyl but-2-enedioate,CCCCCCCCCCCCOC(=O)\\C=C\\C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCCCCCC,"InChI=1/C28H52O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3",C28H52O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13324,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.529,HEJZJSIRBLOWPD-WCWDXBQESA-N,,,,,,,,,,,
100.017.531,219-282-3,2402-78-0,"2,6-dichloropyridine","2,6-dichloropyridine",Clc1cccc(Cl)n1,Clc1cccc(Cl)n1,InChI=1/C5H3Cl2N/c6-4-2-1-3-5(7)8-4/h1-3H,C5H3Cl2N,,,,,,FILKGCRCWDMBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.532,219-283-9,2402-79-1,"2,3,5,6-tetrachloropyridine","2,3,5,6-tetrachloropyridine",Clc1cc(Cl)c(Cl)nc1Cl,Clc1cc(Cl)c(Cl)nc1Cl,InChI=1/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H,C5HCl4N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13192,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.532,FATBKZJZAHWCSL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.535,219-287-0,2403-22-7,N-butylbenzylamine,N-benzylbutan-1-amine,CCCCNCc1ccccc1,CCCCNCc1ccccc1,"InChI=1/C11H17N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3",C11H17N,,,,,,HIPXPABRMMYVQD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.910,223-000-4,3690-50-4,5-ethylidenefuran-2(5H)-one,5-ethylidenefuran-2(5H)-one,CC=C1/C=C\\C(=O)O1,CC=C1/C=C\C(=O)O1,"InChI=1/C6H6O2/c1-2-5-3-4-6(7)8-5/h2-4H,1H3",C6H6O2,,,,,,UBTPQJCPHOHKMF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.915,223-006-7,3691-93-8,N-(2-ethoxyphenyl)-2-hydroxydibenzofuran-3-carboxamide,"N-(2-ethoxyphenyl)-2-hydroxydibenzo[b,d]furan-3-carboxamide",CCOc1ccccc1NC(=O)c2cc3oc4ccccc4c3cc2O,CCOc1ccccc1NC(=O)c2cc3oc4ccccc4c3cc2O,"InChI=1/C21H17NO4/c1-2-25-19-10-6-4-8-16(19)22-21(24)15-12-20-14(11-17(15)23)13-7-3-5-9-18(13)26-20/h3-12,23H,2H2,1H3,(H,22,24)",C21H17NO4,,,,,,XXETVWBJQXPSKM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.918,223-009-3,3693-18-3,"Sodium (7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl) succinate","sodium 4-[(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoate",[Na+].[O-]C(=O)CCC(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,[Na+].[O-]C(=O)CCC(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,"InChI=1/C19H15ClN2O5.Na/c20-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)22-19(18(26)21-14)27-16(25)9-8-15(23)24;/h1-7,10,19H,8-9H2,(H,21,26)(H,23,24);/q;+1/p-1",C19H15ClN2O5.Na,,,,,,HLXIPDOKNUEODM-UHFFFAOYSA-M,,,,,,,,,,,
100.020.919,223-010-9,3693-39-8,Fluclorolone acetonide,"4b,5-dichloro-12-fluoro-6b-glycoloyl-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(O1)C(=O)CO,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,16-17,19,28H,8-11H2,1-4H3",C24H29Cl2FO5,,,,,,NJNWEGFJCGYWQT-VSXGLTOVSA-N,,,,,,,,,,,
100.020.922,223-014-0,3694-83-5,3-amino-4-ethylbenzenesulphonic acid,3-amino-4-ethylbenzenesulfonic acid,CCc1ccc(cc1N)S(=O)(=O)O,CCc1ccc(cc1N)S(=O)(=O)O,"InChI=1/C8H11NO3S/c1-2-6-3-4-7(5-8(6)9)13(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)",C8H11NO3S,,,,,,CORQIZCSHKRWRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.924,223-016-1,3695-00-9,N-[(p-tolylsulphonyl]-p-toluenesulphonamide,4-methyl-N-[(4-methylphenyl)sulfonyl]benzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c2ccc(C)cc2,Cc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c2ccc(C)cc2,"InChI=1/C14H15NO4S2/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3",C14H15NO4S2,,,,,,LHWZLUXODWUHLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.932,223-025-0,3697-38-9,2-carboxy-1-methylpyridinium chloride,2-carboxy-1-methylpyridinium chloride,[Cl-].C[n+]1ccccc1C(=O)O,[Cl-].C[n+]1ccccc1C(=O)O,"InChI=1/C7H7NO2.ClH/c1-8-5-3-2-4-6(8)7(9)10;/h2-5H,1H3;1H",C7H8NO2.Cl,,,,,,WIPNUQPJVZZAOG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.935,223-028-7,3698-89-3,Dodecyl methyl sulphide,1-(methylsulfanyl)dodecane,CCCCCCCCCCCCSC,CCCCCCCCCCCCSC,"InChI=1/C13H28S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3",C13H28S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12628,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.935,KJWHJDGMOQJLGF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.936,223-029-2,3698-95-1,Methyl octyl sulphide,1-(methylsulfanyl)octane,CCCCCCCCSC,CCCCCCCCSC,"InChI=1/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3",C9H20S,,,,,,AHCJTMBRROLNHV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.940,223-033-4,3699-66-9,Triethyl 2-phosphonopropionate,ethyl 2-(diethoxyphosphoryl)propanoate,CCOC(=O)C(C)P(=O)(OCC)OCC,CCOC(=O)C(C)P(=O)(OCC)OCC,"InChI=1/C9H19O5P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h8H,5-7H2,1-4H3",C9H19O5P,,,,,,BVSRWCMAJISCTD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.918,216-408-9,1576-43-8,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulfonamide,NS(=O)(=O)c1ccc(O)cc1,NS(=O)(=O)c1ccc(O)cc1,"InChI=1/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)",C6H7NO3S,,,,,,DIRCLGLKRZLKHG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.242,233-281-5,10103-17-0,"Oleic acid, compound with triethylamine","octadec-9-enoic acid - N,N-diethylethanamine (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCN(CC)CC,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCN(CC)CC,"InChI=1/C18H34O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7(5-2)6-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-6H2,1-3H3",C18H34O2.C6H15N,,,,,,GCVIWLTVOFILLW-KVVVOXFISA-N,,,,,,,,,,,
100.030.248,233-287-8,10103-62-5,"Arsenic acid, calcium salt",calcium hydrogen arsenate,[Ca+2].O[As](=O)([O-])[O-],[Ca+2].O[As](=O)([O-])[O-],"InChI=1/AsH3O4.Ca/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+2/p-2",AsH3O4.xCa,,,,,,RTFOOERBKBOMSV-UHFFFAOYSA-L,,,,,,,,,,,
100.025.126,227-638-4,5915-59-3,"Sodium 2-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate","sodium 2-(4-{[2,4-dihydroxy-3-(phenyldiazenyl)phenyl]diazenyl}phenyl)-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].Oc5ccc(N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)c(O)c5N=Nc4ccccc4,[Na+].Oc5ccc(N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)c(O)c5N=Nc4ccccc4,"InChI=1/C26H19N5O5S2.Na/c1-15-7-12-20-24(25(15)38(34,35)36)37-26(27-20)16-8-10-18(11-9-16)28-30-19-13-14-21(32)22(23(19)33)31-29-17-5-3-2-4-6-17;/h2-14,32-33H,1H3,(H,34,35,36);/q;+1/p-1",C26H19N5O5S2.Na,,,,,,NMUAUWWRCYGMKC-UHFFFAOYSA-M,,,,,,,,,,,
100.025.130,227-643-1,5919-84-6,"3-hydroxy-2,2-dimethylpropyl isobutyrate","3-hydroxy-2,2-dimethylpropyl 2-methylpropanoate",CC(C)C(=O)OCC(C)(C)CO,CC(C)C(=O)OCC(C)(C)CO,"InChI=1/C9H18O3/c1-7(2)8(11)12-6-9(3,4)5-10/h7,10H,5-6H2,1-4H3",C9H18O3,,,,,,HNWHVVWRJAXEEC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.131,227-644-7,5919-89-1,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-acetate 17-valerate","21-acetoxy-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(=O)C,CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(=O)C,"InChI=1/C29H39FO7/c1-6-7-8-25(35)37-29(24(34)16-36-18(3)31)17(2)13-22-21-10-9-19-14-20(32)11-12-26(19,4)28(21,30)23(33)15-27(22,29)5/h11-12,14,17,21-23,33H,6-10,13,15-16H2,1-5H3",C29H39FO7,,,,,,QSZKFXMOBKKROF-YCUXZELOSA-N,,,,,,,,,,,
100.025.136,227-649-4,5921-92-6,Tetrahydro-2-octylfuran,2-octyltetrahydrofuran,CCCCCCCCC1CCCO1,CCCCCCCCC1CCCO1,"InChI=1/C12H24O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h12H,2-11H2,1H3",C12H24O,,,,,,VDXKQHNJUOPHFV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.092,233-115-1,10036-64-3,N-acetyl-a-D-glucosamine,2-acetamido-2-deoxyhexopyranose,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O,"InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)",C8H15NO6,,,,,,OVRNDRQMDRJTHS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.096,233-119-3,10039-64-2,Ethyl 3-(m-aminophenyl)propionate,ethyl 3-(3-aminophenyl)propanoate,CCOC(=O)CCc1cccc(N)c1,CCOC(=O)CCc1cccc(N)c1,"InChI=1/C11H15NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7,12H2,1H3",C11H15NO2,,,,,,CUNKFKQHEJGIIB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.099,233-123-5,10041-06-2,4'-(imidazol-1-yl)methyl phenyl ketone,1-[4-(1H-imidazol-1-yl)phenyl]ethanone,CC(=O)c1ccc(cc1)n2ccnc2,CC(=O)c1ccc(cc1)n2ccnc2,"InChI=1/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3",C11H10N2O,,,,,,GAIQQJIMVVUTQN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.121,233-147-6,10044-00-5,"Sodium 1,4-dihexadecyl sulphonatosuccinate","sodium 1,4-bis(hexadecyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C36H70O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42-35(37)33-34(44(39,40)41)36(38)43-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h34H,3-33H2,1-2H3,(H,39,40,41);/q;+1/p-1",C36H70O7S.Na,,,,,,OJCVVWVJJBZCGB-UHFFFAOYSA-M,,,,,,,,,,,
100.030.124,233-150-2,10045-87-1,Iron sodium diphosphate,iron(3+) sodium diphosphate,[Na+].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O,[Na+].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1/Fe.Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q+3;+1;/p-4",Fe.H4O7P2.Na,,,,,,XWQGIDJIEPIQBD-UHFFFAOYSA-J,,,,,,,,,,,
100.024.759,227-234-8,5729-50-0,2-phenylpent-3-enal,2-phenylpent-3-enal,O=CC(C=CC)c1ccccc1,O=CC(C=CC)c1ccccc1,"InChI=1/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-9,11H,1H3",C11H12O,,,,,,ATYUEOYJIQYTAG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.437,243-397-8,19883-27-3,"(Z,E)-undeca-1,3,5-triene","undeca-1,3,5-triene",C=CC=CC=CCCCCC,C=CC=CC=CCCCCC,"InChI=1/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3",C11H18,,,,,,JQQDKNVOSLONRS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.441,243-401-8,19889-13-5,"3-methyl-5-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthyl)pent-2-en-1-al","5,6,7,8,11,12-hexahydro-5,10-cycloretinal",CC(=CC=O)CC\\C2=C(/C)CCC1C2(C)CCCC1(C)C,CC(=CC=O)CC\C2=C(/C)CCC1C2(C)CCCC1(C)C,"InChI=1/C20H32O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,14,18H,6-10,12-13H2,1-5H3",C20H32O,,,,,,MXYNLAVXJVCXNM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.442,243-402-3,19889-37-3,2-ethyl-2-methylbutyric acid,2-ethyl-2-methylbutanoic acid,CCC(C)(CC)C(=O)O,CCC(C)(CC)C(=O)O,"InChI=1/C7H14O2/c1-4-7(3,5-2)6(8)9/h4-5H2,1-3H3,(H,8,9)",C7H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18663,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.442,LHJPKLWGGMAUAN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.116,224-327-5,4312-99-6,Oct-1-en-3-one,oct-1-en-3-one,CCCCCC(=O)C=C,CCCCCC(=O)C=C,"InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",C8H14O,,,,,,KLTVSWGXIAYTHO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.117,224-328-0,5/03/4313,"(2E,4E)-hepta-2,4-dienal","hepta-2,4-dienal",CC\\C=C\\C=C\\C=O,CC\C=C\C=C\C=O,"InChI=1/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3",C7H10O,,,,,,SATICYYAWWYRAM-VNKDHWASSA-N,,,,,,,,,,,
100.022.120,224-331-7,4314-66-3,N-ethylnicotinamide,N-ethylnicotinamide,O=C(NCC)c1cccnc1,O=C(NCC)c1cccnc1,"InChI=1/C8H10N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)",C8H10N2O,,,,,,ZXOAHASJYIUCBG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.122,224-333-8,4316-23-8,4-methylphthalic acid,4-methylphthalic acid,Cc1ccc(C(=O)O)c(c1)C(=O)O,Cc1ccc(C(=O)O)c(c1)C(=O)O,"InChI=1/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)",C9H8O4,,,,,,CWJJAFQCTXFSTA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.123,224-334-3,4316-35-2,"(1,1-dimethoxyethyl)benzene","(1,1-dimethoxyethyl)benzene",COC(C)(OC)c1ccccc1,COC(C)(OC)c1ccccc1,"InChI=1/C10H14O2/c1-10(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14O2,,,,,,XKSUVRWJZCEYQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.504,219-253-5,2396-63-6,"Hepta-1,6-diyne","hepta-1,6-diyne",C#CCCCC#C,C#CCCCC#C,"InChI=1/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2",C7H8,,,,,,RSPZSDWVQWRAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.521,219-271-3,2399-86-2,Dipotassium hydrogen nitrilotriacetate,"hydrogen dipotassium 2,2',2''-nitrilotriacetate",[K+].[K+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-],[K+].[K+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C6H9NO6.2K/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-3",C6H9NO6.2K,,,,,,PGOQAJNPEBNJGZ-UHFFFAOYSA-K,,,,,,,,,,,
100.017.524,219-275-5,2400-66-0,Icosanal,icosanal,CCCCCCCCCCCCCCCCCCCC=O,CCCCCCCCCCCCCCCCCCCC=O,"InChI=1/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3",C20H40O,,,,,,FWBUWJHWAKTPHI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.528,219-279-7,2402-42-8,"1-ethyl-2-((1-ethyl-1,2-dihydro-2-quinolylidene)methyl)quinolinium chloride",1-ethyl-2-[(1-ethylquinolin-2(1H)-ylidene)methyl]quinolinium chloride,[Cl-].CC[n+]3c4ccccc4ccc3C=C2\\C=C/c1ccccc1N2CC,[Cl-].CC[n+]3c4ccccc4ccc3C=C2\C=C/c1ccccc1N2CC,"InChI=1/C23H23N2.ClH/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2.Cl,,,,,,MHQOURYMHSSLDM-UHFFFAOYSA-M,,,,,,,,,,,
100.017.530,219-281-8,2402-77-9,"2,3-dichloropyridine","2,3-dichloropyridine",Clc1cccnc1Cl,Clc1cccnc1Cl,InChI=1/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3H,C5H3Cl2N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12679,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.530,MAKFMOSBBNKPMS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.533,219-284-4,2402-95-1,2-chloropyridine 1-oxide,2-chloropyridine 1-oxide,[O-][n+]1ccccc1Cl,[O-][n+]1ccccc1Cl,InChI=1/C5H4ClNO/c6-5-3-1-2-4-7(5)8/h1-4H,C5H4ClNO,,,,,,WYSRTEVFLQJJDN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.534,219-286-5,2402-98-4,Pyridine-2-carbonitrile 1-oxide,pyridine-2-carbonitrile 1-oxide,[O-][n+]1ccccc1C#N,[O-][n+]1ccccc1C#N,InChI=1/C6H4N2O/c7-5-6-3-1-2-4-8(6)9/h1-4H,C6H4N2O,,,,,,XXDJXMMIVUCDGP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.537,219-289-1,2403-59-0,p-(diethoxymethyl)toluene,1-(diethoxymethyl)-4-methylbenzene,CCOC(OCC)c1ccc(C)cc1,CCOC(OCC)c1ccc(C)cc1,"InChI=1/C12H18O2/c1-4-13-12(14-5-2)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3",C12H18O2,,,,,,KCKGLVOPXDIEIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.908,222-998-9,3689-76-7,Chlormidazole,1-(4-chlorobenzyl)-2-methyl-1H-benzimidazole,Cc1nc2ccccc2n1Cc3ccc(Cl)cc3,Cc1nc2ccccc2n1Cc3ccc(Cl)cc3,"InChI=1/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3",C15H13ClN2,,,,,,WNAQOLSMVPFGTE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.911,223-002-5,3691-21-2,"Hexahydro-a,a-diphenyl-1H-azepine-1-butyramide","4-azepan-1-yl-2,2-diphenylbutanamide",NC(=O)C(CCN1CCCCCC1)(c2ccccc2)c3ccccc3,NC(=O)C(CCN1CCCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C22H28N2O/c23-21(25)22(19-11-5-3-6-12-19,20-13-7-4-8-14-20)15-18-24-16-9-1-2-10-17-24/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25)",C22H28N2O,,,,,,SLJXUJZUTPFXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.656,220-521-9,2791-37-9,"N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethylenediamine","N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCN,CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCN,"InChI=1/C24H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h26H,2-23,25H2,1H3",C24H50N4,,,,,,IVCPSJKBLYOZEG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.659,220-525-0,2792-42-9,"(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime","1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime",CC1(C)C2CC[C@@]1(C)\\C(=N\\O)\\C2,CC1(C)C2CC[C@@]1(C)\C(=N\O)\C2,"InChI=1/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3",C10H17NO,,,,,,OVFDEGGJFJECAT-MQPJBWICSA-N,,,,,,,,,,,
100.018.661,220-527-1,2795-39-3,Potassium heptadecafluorooctane-1-sulphonate,"potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate",[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1",C8HF17O3S.K,,,,,,WFRUBUQWJYMMRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.667,220-533-4,2799-17-9,(S)-(+)-1-aminopropan-2-ol,1-aminopropan-2-ol,C[C@H](O)CN,C[C@H](O)CN,"InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3",C3H9NO,,,,,,HXKKHQJGJAFBHI-VKHMYHEASA-N,,,,,,,,,,,
100.018.672,220-539-7,9/04/2801,Sodium bis(2-hydroxyethyl)dithiocarbamate,sodium bis(2-hydroxyethyl)dithiocarbamate,[Na+].OCCN(CCO)C(=S)[S-],[Na+].OCCN(CCO)C(=S)[S-],"InChI=1/C5H11NO2S2.Na/c7-3-1-6(2-4-8)5(9)10;/h7-8H,1-4H2,(H,9,10);/q;+1/p-1",C5H11NO2S2.Na,,,,,,QUYHMLCZZRISNN-UHFFFAOYSA-M,,,,,,,,,,,
100.018.674,220-541-8,1/11/2802,"6a-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione 21-acetate","2-(12-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)CCC5(C)C4C(O)CC23C,CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)CCC5(C)C4C(O)CC23C,"InChI=1/C26H35FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h8,15-16,18-19,21-22,30H,6-7,9-12H2,1-5H3",C26H35FO7,,,,,,AUDPKCCPWYXNEV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.678,220-546-5,2806-85-1,3-ethoxypropionaldehyde,3-ethoxypropanal,CCOCCC=O,CCOCCC=O,"InChI=1/C5H10O2/c1-2-7-5-3-4-6/h4H,2-3,5H2,1H3",C5H10O2,,,,,,RKSGQXSDRYHVTM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.679,220-547-0,2/09/2807,(E)-hex-3-en-1-yne,hex-3-en-1-yne,CC\\C=C\\C#C,CC\C=C\C#C,"InChI=1/C6H8/c1-3-5-6-4-2/h1,5-6H,4H2,2H3",C6H8,,,,,,CLFYLNSQRWCJAY-AATRIKPKSA-N,,,,,,,,,,,
100.018.681,220-549-1,2807-54-7,Diallyl fumarate,diallyl but-2-enedioate,C=CCOC(=O)\\C=C\\C(=O)OCC=C,C=CCOC(=O)\C=C\C(=O)OCC=C,"InChI=1/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2",C10H12O4,,,,,,ZPOLOEWJWXZUSP-AATRIKPKSA-N,,,,,,,,,,,
100.018.682,220-550-7,2808-86-8,"2,3,4,5-tetrachloropyridine","2,3,4,5-tetrachloropyridine",Clc1cnc(Cl)c(Cl)c1Cl,Clc1cnc(Cl)c(Cl)c1Cl,InChI=1/C5HCl4N/c6-2-1-10-5(9)4(8)3(2)7/h1H,C5HCl4N,,,,,,DLOOKZXVYJHDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.686,220-554-9,2810-04-0,Ethyl 2-thenoate,ethyl thiophene-2-carboxylate,CCOC(=O)c1cccs1,CCOC(=O)c1cccs1,"InChI=1/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3",C7H8O2S,,,,,,JZGZKRJVTIRPOK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.687,220-555-4,2811-31-6,2-(dimethylamino)ethyl 4-(acetylamino)benzoate,2-(dimethylamino)ethyl 4-acetamidobenzoate,CN(C)CCOC(=O)c1ccc(NC(=O)C)cc1,CN(C)CCOC(=O)c1ccc(NC(=O)C)cc1,"InChI=1/C13H18N2O3/c1-10(16)14-12-6-4-11(5-7-12)13(17)18-9-8-15(2)3/h4-7H,8-9H2,1-3H3,(H,14,16)",C13H18N2O3,,,,,,FZLZGULUHIGIOT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.690,220-559-6,2812-77-3,Diethyl imidocarbonate,diethyl imidocarbonate,CCOC(=N)OCC,CCOC(=N)OCC,"InChI=1/C5H11NO2/c1-3-7-5(6)8-4-2/h6H,3-4H2,1-2H3",C5H11NO2,,,,,,IOPGBGMYUPEGOK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.694,220-563-8,2815-50-1,5-benzylsulphonyl-o-anisidine,5-(benzylsulfonyl)-2-methoxyaniline,COc1ccc(cc1N)S(=O)(=O)Cc2ccccc2,COc1ccc(cc1N)S(=O)(=O)Cc2ccccc2,"InChI=1/C14H15NO3S/c1-18-14-8-7-12(9-13(14)15)19(16,17)10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3",C14H15NO3S,,,,,,XTTHAADPPZNOBT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.695,220-564-3,2815-58-9,"1,2,4-trimethylcyclopentane","1,2,4-trimethylcyclopentane",CC1CC(C)C(C)C1,CC1CC(C)C(C)C1,"InChI=1/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3",C8H16,,,,,,PNUFYSGVPVMNRN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.250,220-073-4,2622-63-1,1-methyl-2-phenylbenzimidazole,1-methyl-2-phenyl-1H-benzimidazole,Cn1c(nc2ccccc12)c3ccccc3,Cn1c(nc2ccccc12)c3ccccc3,"InChI=1/C14H12N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h2-10H,1H3",C14H12N2,,,,,,POSRBSJJCMKQNU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.251,220-075-5,2622-83-5,4-(1-methylpropyl)-2-(1-phenylethyl)phenol,4-sec-butyl-2-(1-phenylethyl)phenol,CCC(C)c1ccc(O)c(c1)C(C)c2ccccc2,CCC(C)c1ccc(O)c(c1)C(C)c2ccccc2,"InChI=1/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3",C18H22O,,,,,,QJNBIFRUSFIANU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.921,216-412-0,1576-78-9,(Z)-hept-3-enyl acetate,hept-3-en-1-yl acetate,CCC\\C=C/CCOC(=O)C,CCC\C=C/CCOC(=O)C,"InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,AAYIYWGTGAUKQY-WAYWQWQTSA-N,,,,,,,,,,,
100.014.926,216-417-8,1577-18-0,trans-hex-3-enoic acid,hex-3-enoic acid,CC\\C=C\\CC(=O)O,CC\C=C\CC(=O)O,"InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)",C6H10O2,,,,,,XXHDAWYDNSXJQM-ONEGZZNKSA-N,,,,,,,,,,,
100.014.929,216-420-4,1578-63-8,Fluorophenylacetic acid,phenylacetyl fluoride,O=C(F)Cc1ccccc1,O=C(F)Cc1ccccc1,"InChI=1/C8H7FO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2",C8H7FO2,,,,,,KYSUNLMCQCEICR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.932,216-424-6,1579-78-8,3-(4-fluorophenoxy)propionic acid,3-(4-fluorophenoxy)propanoic acid,OC(=O)CCOc1ccc(F)cc1,OC(=O)CCOc1ccc(F)cc1,"InChI=1/C9H9FO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)",C9H9FO3,,,,,,QCEDXODAYRWQRH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.941,216-434-0,1583-83-1,"a,a-difluoro-p-methylanisole",1-(difluoromethoxy)-4-methylbenzene,Cc1ccc(OC(F)F)cc1,Cc1ccc(OC(F)F)cc1,"InChI=1/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3",C8H8F2O,,,,,,DJDQNISEJVPQCS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.947,216-440-3,1585-16-6,"2,4,6-trimethylbenzyl chloride","2-(chloromethyl)-1,3,5-trimethylbenzene",Cc1cc(C)c(CCl)c(C)c1,Cc1cc(C)c(CCl)c(C)c1,"InChI=1/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3",C10H13Cl,,,,,,UNRGEIXQCZHICP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.948,216-441-9,1585-40-6,Benzenepentacarboxylic acid,"benzene-1,2,3,4,5-pentacarboxylic acid",OC(=O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O,OC(=O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O,"InChI=1/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)",C11H6O10,,,,,,QNSOHXTZPUMONC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.949,216-442-4,1586-00-1,2-benzylbenzyl alcohol,(2-benzylphenyl)methanol,OCc1ccccc1Cc2ccccc2,OCc1ccccc1Cc2ccccc2,"InChI=1/C14H14O/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2",C14H14O,,,,,,GTKWHQWJTVWORA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.955,216-449-2,1587-20-8,Trimethyl citrate,trimethyl citrate,COC(=O)CC(O)(CC(=O)OC)C(=O)OC,COC(=O)CC(O)(CC(=O)OC)C(=O)OC,"InChI=1/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3",C9H14O7,,,,,,HDDLVZWGOPWKFW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.447,243-408-6,19894-79-2,"Diethyl (E)-(3,7-dimethyl-2,6-octadienyl)malonate","diethyl (3,7-dimethylocta-2,6-dien-1-yl)malonate",CCOC(=O)C(C\\C=C(/C)\\CCC=C(C)C)C(=O)OCC,CCOC(=O)C(C\C=C(/C)\CCC=C(C)C)C(=O)OCC,"InChI=1/C17H28O4/c1-6-20-16(18)15(17(19)21-7-2)12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3",C17H28O4,,,,,,CNARYHFSSZYVQJ-SDNWHVSQSA-N,,,,,,,,,,,
100.039.452,243-413-3,19896-25-4,"2,2'-(butane-1,4-diyl)bis-2-oxazoline-4,4-dimethanol","[butane-1,4-diylbis(4,5-dihydro-1,3-oxazole-2,4,4-triyl)]tetramethanol",OCC1(CO)COC(=N1)CCCCC2=NC(CO)(CO)CO2,OCC1(CO)COC(=N1)CCCCC2=NC(CO)(CO)CO2,"InChI=1/C14H24N2O6/c17-5-13(6-18)9-21-11(15-13)3-1-2-4-12-16-14(7-19,8-20)10-22-12/h17-20H,1-10H2",C14H24N2O6,,,,,,AUVJDYHPEDZHFL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.454,243-415-4,19898-59-0,"(1a,3a,4a,6a)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol","3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol",CC1(C)[C@@H]2C[C@@H](O)[C@@](C)(O)C[C@H]12,CC1(C)[C@@H]2C[C@@H](O)[C@@](C)(O)C[C@H]12,"InChI=1/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3",C10H18O2,,,,,,AHVKNBRJVKCGKJ-JIOCBJNQSA-N,,,,,,,,,,,
100.039.459,243-421-7,19900-69-7,"4,4'-methylenebis(2,6-diisopropylaniline)","4,4'-methylenebis(2,6-diisopropylaniline)",CC(C)c1cc(Cc2cc(C(C)C)c(N)c(c2)C(C)C)cc(C(C)C)c1N,CC(C)c1cc(Cc2cc(C(C)C)c(N)c(c2)C(C)C)cc(C(C)C)c1N,"InChI=1/C25H38N2/c1-14(2)20-10-18(11-21(15(3)4)24(20)26)9-19-12-22(16(5)6)25(27)23(13-19)17(7)8/h10-17H,9,26-27H2,1-8H3",C25H38N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17058,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.459,KZTROCYBPMKGAW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.461,243-423-8,19910-33-9,2-(4-nitrophenyl)propionic acid,2-(4-nitrophenyl)propanoic acid,CC(C(=O)O)c1ccc(cc1)[N+](=O)[O-],CC(C(=O)O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)",C9H9NO4,,,,,,RBSRRICSXWXMRC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.464,243-426-4,19920-34-4,"2,3-dihydro-5-methyl-e-2-dioxo-1H-imidazole-4-hexanoic acid","6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoic acid",CC1=C(NC(=O)N1)C(=O)CCCCC(=O)O,CC1=C(NC(=O)N1)C(=O)CCCCC(=O)O,"InChI=1/C10H14N2O4/c1-6-9(12-10(16)11-6)7(13)4-2-3-5-8(14)15/h2-5H2,1H3,(H,14,15)(H2,11,12,16)",C10H14N2O4,,,,,,QOKBZTDZIZMTMS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.465,243-428-5,19924-43-7,(3-methoxyphenyl)acetonitrile,(3-methoxyphenyl)acetonitrile,COc1cccc(CC#N)c1,COc1cccc(CC#N)c1,"InChI=1/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3",C9H9NO,,,,,,LXKNAUOWEJWGTE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.468,243-431-1,19932-26-4,"[(2,2,3,3-tetrafluoropropoxy)methyl]oxirane","2-[(2,2,3,3-tetrafluoropropoxy)methyl]oxirane",FC(F)C(F)(F)COCC1CO1,FC(F)C(F)(F)COCC1CO1,"InChI=1/C6H8F4O2/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2",C6H8F4O2,,,,,,DATKALAKXGFGPI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.794,225-073-8,4644-61-5,Ethyl 4-oxopiperidine-3-carboxylate,ethyl 4-oxopiperidine-3-carboxylate,CCOC(=O)C1CNCCC1=O,CCOC(=O)C1CNCCC1=O,"InChI=1/C8H13NO3/c1-2-12-8(11)6-5-9-4-3-7(6)10/h6,9H,2-5H2,1H3",C8H13NO3.ClH,,,,,,RIOSMHYBRAQVHD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.799,225-079-0,4650-60-6,2-furfuryl isothiocyanate,2-(isothiocyanatomethyl)furan,S=C=NCc1occc1,S=C=NCc1occc1,"InChI=1/C6H5NOS/c9-5-7-4-6-2-1-3-8-6/h1-3H,4H2",C6H5NOS,,,,,,ICXYINJACKJQQV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.802,225-082-7,4651-48-3,"Stigmasta-5,22-dien-3-ß-yl acetate","stigmasta-5,22-dien-3-yl acetate",CC[C@H](\\C=C\\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)C(C)C,CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)C(C)C,"InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3",C31H50O2,,,,,,IZEUIYYDWBKERE-ZRODXFKISA-N,,,,,,,,,,,
100.022.804,225-084-8,4651-81-4,Methyl 2-amino-3-thenoate,methyl 2-aminothiophene-3-carboxylate,COC(=O)c1ccsc1N,COC(=O)c1ccsc1N,"InChI=1/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3",C6H7NO2S,,,,,,DGGJQLCAYQCPDD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.807,225-087-4,4652-27-1,4-methoxybut-3-en-2-one,4-methoxybut-3-en-2-one,CC(=O)C=COC,CC(=O)C=COC,"InChI=1/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3",C5H8O2,,,,,,VLLHEPHWWIDUSS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.810,225-091-6,4654-26-6,Dioctyl terephthalate,dioctyl terephthalate,CCCCCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCCCCC,CCCCCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCCCCC,"InChI=1/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3",C24H38O4,,,,,,OEIWPNWSDYFMIL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.814,225-095-8,4656-81-9,Tetrahexylammonium perchlorate,"N,N,N-trihexylhexan-1-aminium perchlorate",CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-]Cl(=O)(=O)=O,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-]Cl(=O)(=O)=O,"InChI=1/C24H52N.ClHO4/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;2-1(3,4)5/h5-24H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C24H52N.ClO4,,,,,,RLCKPGXHGKSGOS-UHFFFAOYSA-M,,,,,,,,,,,
100.022.815,225-096-3,4656-86-4,"1,5-dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one","1,7-dihydro-4H-imidazo[4,5-d][1,2,3]triazin-4-one",O=C1N=NNc2[nH]cnc12,O=C1N=NNc2[nH]cnc12,"InChI=1/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)",C4H3N5O,,,,,,BTERLCQQBYXVIN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.816,225-097-9,4657-00-5,"1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium chloride","1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium chloride",[Cl-].C[N+]1=C(\\C=C\\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15,[Cl-].C[N+]1=C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15,"InChI=1/C28H27N2.ClH/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20;/h5-19H,1-4H3;1H/q+1;/p-1",C28H27N2.Cl,,,,,,LORKUZBPMQEQET-UHFFFAOYSA-M,,,,,,,,,,,
100.022.818,225-100-3,4657-33-4,Butyl 4'-hydroxy-3'-methoxycinnamate,butyl 3-(4-hydroxy-3-methoxyphenyl)acrylate,CCCCOC(=O)C=Cc1ccc(O)c(OC)c1,CCCCOC(=O)C=Cc1ccc(O)c(OC)c1,"InChI=1/C14H18O4/c1-3-4-9-18-14(16)8-6-11-5-7-12(15)13(10-11)17-2/h5-8,10,15H,3-4,9H2,1-2H3",C14H18O4,,,,,,JTQRZRRDNZAHMH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.826,225-109-2,4664-49-7,2-hydroxy-1-methylethyl methacrylate,2-hydroxy-1-methylethyl methacrylate,CC(CO)OC(=O)C(=C)C,CC(CO)OC(=O)C(=C)C,"InChI=1/C7H12O3/c1-5(2)7(9)10-6(3)4-8/h6,8H,1,4H2,2-3H3",C7H12O3,,,,,,ZMARGGQEAJXRFP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.828,225-111-3,4666-16-4,"5-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) (S)-2-[[(phenylmethoxy)carbonyl]amino]glutarate","5-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) N-[(benzyloxy)carbonyl]-L-glutamate",CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,"InChI=1/C21H26N2O8/c1-21(2,3)30-18(26)12-9-15(19(27)31-23-16(24)10-11-17(23)25)22-20(28)29-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,22,28)",C21H26N2O8,,,,,,FWRRURPRGINXSY-HNNXBMFYSA-N,,,,,,,,,,,
100.022.829,225-112-9,4667-99-6,Chlorotriethoxysilane,chloro(triethoxy)silane,CCO[Si](Cl)(OCC)OCC,CCO[Si](Cl)(OCC)OCC,"InChI=1/C6H15ClO3Si/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",C6H15ClO3Si,,,,,,JEZFASCUIZYYEV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.831,225-115-5,4668-64-8,2-isobutylcyclohexan-1-one,2-isobutylcyclohexanone,CC(C)CC1CCCCC1=O,CC(C)CC1CCCCC1=O,"InChI=1/C10H18O/c1-8(2)7-9-5-3-4-6-10(9)11/h8-9H,3-7H2,1-2H3",C10H18O,,,,,,UHXYDASYYVBDHP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.833,225-117-6,4670-56-8,Methyl 4-methylsalicylate,methyl 2-hydroxy-4-methylbenzoate,COC(=O)c1ccc(C)cc1O,COC(=O)c1ccc(C)cc1O,"InChI=1/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H3",C9H10O3,,,,,,UITFCFWKYAOJEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.912,223-003-0,3691-35-8,Chlorophacinone,"2-[(4-chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione",Clc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4,Clc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4,"InChI=1/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H",C23H15ClO3,,,,,,UDHXJZHVNHGCEC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.913,223-004-6,3691-68-7,"Sodium N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)sulphanilamidate","sodium [(4-aminophenyl)sulfonyl](5-bromo-4,6-dimethylpyrimidin-2-yl)azanide",Cc1nc(nc(C)c1Br)N([Na])S(=O)(=O)c2ccc(N)cc2,Cc1nc(nc(C)c1Br)N([Na])S(=O)(=O)c2ccc(N)cc2,"InChI=1/C12H12BrN4O2S.Na/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10;/h3-6H,14H2,1-2H3;/q-1;+1/rC12H12BrN4NaO2S/c1-7-11(13)8(2)16-12(15-7)17(18)21(19,20)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3",C12H13BrN4O2S.Na,,,,,,BYTJZIVWFMOARV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.917,223-008-8,3692-61-3,3-hydroxy-N-(2-hydroxyethyl)-4-(morpholinomethyl)naphthalene-2-carboxamide hydrochloride,3-hydroxy-N-(2-hydroxyethyl)-4-(morpholin-4-ylmethyl)-2-naphthamide hydrochloride,Cl.OCCNC(=O)c1cc2ccccc2c(CN3CCOCC3)c1O,Cl.OCCNC(=O)c1cc2ccccc2c(CN3CCOCC3)c1O,"InChI=1/C18H22N2O4.ClH/c21-8-5-19-18(23)15-11-13-3-1-2-4-14(13)16(17(15)22)12-20-6-9-24-10-7-20;/h1-4,11,21-22H,5-10,12H2,(H,19,23);1H",C18H22N2O4.ClH,,,,,,SWNAMYJIPDVWIV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.926,223-018-2,3695-38-3,"2-methyl-2-(4-methylpent-3-enyl)-1,3-dioxolane","2-methyl-2-(4-methylpent-3-en-1-yl)-1,3-dioxolane",CC(=CCCC1(C)OCCO1)C,CC(=CCCC1(C)OCCO1)C,"InChI=1/C10H18O2/c1-9(2)5-4-6-10(3)11-7-8-12-10/h5H,4,6-8H2,1-3H3",C10H18O2,,,,,,ZUQJHJGNHCDZTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.931,223-024-5,3696-28-4,Dipyrithione,"2,2'-disulfanediylbis(pyridine) 1,1'-dioxide",[O-][n+]1ccccc1SSc2cccc[n+]2[O-],[O-][n+]1ccccc1SSc2cccc[n+]2[O-],InChI=1/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H,C10H8N2O2S2,,,,,,ZHDBTKPXEJDTTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.938,223-031-3,3699-30-7,Potassium diethyldithiocarbamate,potassium diethyldithiocarbamate,[K+].CCN(CC)C(=S)[S-],[K+].CCN(CC)C(=S)[S-],"InChI=1/C5H11NS2.K/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1",C5H11NS2.K,,,,,,OFZRVUCVOAUMDT-UHFFFAOYSA-M,,,,,,,,,,,
100.020.948,223-042-3,3703-76-2,Cloperastine,1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine,Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3,Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3,"InChI=1/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2",C20H24ClNO,,,,,,FLNXBVJLPJNOSI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.951,223-046-5,4/09/3704,Mibolerone,"17-hydroxy-7,17-dimethylestr-4-en-3-one",C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@H]13,C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@H]13,"InChI=1/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3",C20H30O2,,,,,,PTQMMNYJKCSPET-OMHQDGTGSA-N,,,,,,,,,,,
100.014.916,216-406-8,1576-17-6,1-methoxy-1-methyl-3-phenylurea,1-methoxy-1-methyl-3-phenylurea,CON(C)C(=O)Nc1ccccc1,CON(C)C(=O)Nc1ccccc1,"InChI=1/C9H12N2O2/c1-11(13-2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)",C9H12N2O2,,,,,,NNEWRFHYQPTQKR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.919,216-409-4,1576-67-6,"3,6-dimethylphenanthrene","3,6-dimethylphenanthrene",Cc1ccc2ccc3ccc(C)cc3c2c1,Cc1ccc2ccc3ccc(C)cc3c2c1,"InChI=1/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3",C16H14,,,,,,OMIBPZBOAJFEJS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.920,216-411-5,1576-77-8,(E)-hept-3-enyl acetate,hept-3-en-1-yl acetate,CCC\\C=C\\CCOC(=O)C,CCC\C=C\CCOC(=O)C,"InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,AAYIYWGTGAUKQY-AATRIKPKSA-N,,,,,,,,,,,
100.014.924,216-415-7,1576-95-0,cis-pent-2-ene-1-ol,pent-2-en-1-ol,CC\\C=C/CO,CC\C=C/CO,"InChI=1/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3",C5H10O,,,,,,BTSIZIIPFNVMHF-ARJAWSKDSA-N,,,,,,,,,,,
100.014.927,216-418-3,1577-19-1,Oct-3-enoic acid,oct-3-enoic acid,OC(=O)CC=CCCCC,OC(=O)CC=CCCCC,"InChI=1/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)",C8H14O2,,,,,,IWPOSDLLFZKGOW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.930,216-422-5,1579-21-1,cis-octahydronaphthalene-2(1H)-one,octahydronaphthalen-2(1H)-one,O=C1CC[C@H]2CCCC[C@H]2C1,O=C1CC[C@H]2CCCC[C@H]2C1,"InChI=1/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2",C10H16O,,,,,,LGVJRKCQQHOWAU-BDAKNGLRSA-N,,,,,,,,,,,
100.014.931,216-423-0,1579-40-4,Di-p-tolyl ether,"1,1'-oxybis(4-methylbenzene)",Cc1ccc(Oc2ccc(C)cc2)cc1,Cc1ccc(Oc2ccc(C)cc2)cc1,"InChI=1/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14O,,,,,,YWYHGNUFMPSTTR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.934,216-426-7,1580-83-2,Paraflutizide,"6-chloro-3-(4-fluorobenzyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(Cc3ccc(F)cc3)NS2(=O)=O)cc1Cl,NS(=O)(=O)c1cc2c(NC(Cc3ccc(F)cc3)NS2(=O)=O)cc1Cl,"InChI=1/C14H13ClFN3O4S2/c15-10-6-11-13(7-12(10)24(17,20)21)25(22,23)19-14(18-11)5-8-1-3-9(16)4-2-8/h1-4,6-7,14,18-19H,5H2,(H2,17,20,21)",C14H13ClFN3O4S2,,,,,,JDCJFONQCRLHND-UHFFFAOYSA-N,,,,,,,,,,,
100.018.253,220-077-6,2623-33-8,Diacetamate,4-acetamidophenyl acetate,CC(=O)Nc1ccc(OC(=O)C)cc1,CC(=O)Nc1ccc(OC(=O)C)cc1,"InChI=1/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)",C10H11NO3,,,,,,UJAOSPFULOFZRR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.255,220-079-7,2623-82-7,2-bromooctanoic acid,2-bromooctanoic acid,CCCCCCC(Br)C(=O)O,CCCCCCC(Br)C(=O)O,"InChI=1/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)",C8H15BrO2,,,,,,GTGTXZRPJHDASG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.257,220-081-8,2623-84-9,2-bromoundecanoic acid,2-bromoundecanoic acid,CCCCCCCCCC(Br)C(=O)O,CCCCCCCCCC(Br)C(=O)O,"InChI=1/C11H21BrO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14)",C11H21BrO2,,,,,,NOLJPCPMOUBRJN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.258,220-082-3,2623-86-1,3-bromobutyric acid,3-bromobutanoic acid,CC(Br)CC(=O)O,CC(Br)CC(=O)O,"InChI=1/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)",C4H7BrO2,,,,,,HAIUIAZIUDPZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.260,220-084-4,2623-91-8,D-(-)-2-aminobutyric acid,2-aminobutanoic acid,CCC(N)C(=O)O,CCC(N)C(=O)O,"InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2,,,,,,QWCKQJZIFLGMSD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.264,220-089-1,2624-43-3,Cyclofenil,"(cyclohexylidenemethylene)di-4,1-phenylene diacetate",CC(=O)Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(OC(=O)C)cc3,CC(=O)Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(OC(=O)C)cc3,"InChI=1/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3",C23H24O4,,,,,,GVOUFPWUYJWQSK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.266,220-091-2,2625-67-4,sec-butylidene hydroperoxide,"butane-2,2-diyl dihydroperoxide",CCC(C)(OO)OO,CCC(C)(OO)OO,"InChI=1/C4H10O4/c1-3-4(2,7-5)8-6/h5-6H,3H2,1-2H3",C4H10O4,,,,,,GIHSGBFMYFAEDX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.268,220-093-3,7/06/2627,Sodium p-decylbenzenesulphonate,sodium 4-decylbenzenesulfonate,[Na+].CCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C16H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)20(17,18)19;/h11-14H,2-10H2,1H3,(H,17,18,19);/q;+1/p-1",C16H26O3S.Na,,,,,,RLJSXMVTLMHXJS-UHFFFAOYSA-M,,,,,,,,,,,
100.018.271,220-097-5,2627-69-2,5-amino-1-ß-D-ribofuranosyl-1H-imidazole-4-carboxamide,5-amino-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N,"InChI=1/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)",C9H14N4O5,,,,,,RTRQQBHATOEIAF-UUOKFMHZSA-N,,,,,,,,,,,
100.018.272,220-098-0,2627-86-3,L-a-methylbenzylamine,1-phenylethanamine,CC(N)c1ccccc1,CC(N)c1ccccc1,"InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3",C8H11N,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11635,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.272,RQEUFEKYXDPUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.276,220-103-6,2628-17-3,p-vinylphenol,4-vinylphenol,Oc1ccc(C=C)cc1,Oc1ccc(C=C)cc1,"InChI=1/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C8H8O,,,,,,FUGYGGDSWSUORM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.279,220-106-2,2629-59-6,S-ethyl-L-cysteine,S-ethyl-L-cysteine,CCSC[C@H](N)C(=O)O,CCSC[C@H](N)C(=O)O,"InChI=1/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2S,,,,,,ULXKXLZEOGLCRJ-BYPYZUCNSA-N,,,,,,,,,,,
100.018.281,220-108-3,2630-13-9,"Hexyl (2,4,5-trichlorophenoxy)acetate","hexyl (2,4,5-trichlorophenoxy)acetate",CCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C14H17Cl3O3/c1-2-3-4-5-6-19-14(18)9-20-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3",C14H17Cl3O3,,,,,,CBFJCDXICHREJI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.290,220-118-8,2632-13-5,Bromomethyl 4-methoxyphenyl ketone,2-bromo-1-(4-methoxyphenyl)ethanone,COc1ccc(cc1)C(=O)CBr,COc1ccc(cc1)C(=O)CBr,"InChI=1/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3",C9H9BrO2,,,,,,XQJAHBHCLXUGEP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.371,224-607-7,4426-47-5,1-butyldihydroxyborane,butylboronic acid,CCCCB(O)O,CCCCB(O)O,"InChI=1/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3",C4H11BO2,,,,,,QPKFVRWIISEVCW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.250,218-974-2,2305-26-2,"cis-cyclohex-4-ene-1,2-dicarboxylic acid","cyclohex-4-ene-1,2-dicarboxylic acid",OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O,OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O,"InChI=1/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)",C8H10O4,,,,,,ILUAAIDVFMVTAU-OLQVQODUSA-N,,,,,,,,,,,
100.017.251,218-975-8,2305-32-0,"trans-cyclohexane-1,2-dicarboxylic acid","cyclohexane-1,2-dicarboxylic acid",OC(=O)[C@H]1CCCC[C@@H]1C(=O)O,OC(=O)[C@H]1CCCC[C@@H]1C(=O)O,"InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)",C8H12O4,,,,,,QSAWQNUELGIYBC-WDSKDSINSA-N,,,,,,,,,,,
100.017.256,218-981-0,2306-89-0,Decyl octanoate,decyl octanoate,CCCCCCCCCCOC(=O)CCCCCCC,CCCCCCCCCCOC(=O)CCCCCCC,"InChI=1/C18H36O2/c1-3-5-7-9-10-11-13-15-17-20-18(19)16-14-12-8-6-4-2/h3-17H2,1-2H3",C18H36O2,,,,,,WVWRBUIUZMBLNI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.470,243-433-2,19937-59-8,Metoxuron,"3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea",COc1ccc(NC(=O)N(C)C)cc1Cl,COc1ccc(NC(=O)N(C)C)cc1Cl,"InChI=1/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)",C10H13ClN2O2,,,,,,DSRNRYQBBJQVCW-UHFFFAOYSA-N,Positive/Negative,EQ320401|EQ320402|EQ320403|EQ320404|EQ320405|EQ320406|EQ320407|EQ320408|EQ320409,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,229.0737:72.0443:184.0161|72.0443:229.0738:156.021|72.0443:156.0211:229.0739|72.0443:156.0211:149.0471|72.0443:156.0211:106.0287|72.0443:106.0287:156.021|72.0443:80.013:56.0131|72.0444:56.0131:52.0182|72.0443:52.0182:56.0131,Eawag,EQ320451|EQ320452|EQ320453|EQ320454|EQ320455|EQ320456|EQ320457|EQ320458|EQ320459,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,212.0357:227.0593:197.0123|212.0357:197.0123:168.0221|197.0122:154.0065:167.9858|154.0065:167.9857:168.0221|154.0065:167.9858:168.0221|154.0066:167.9858:168.0221|151.9908:89.0033:154.0065|89.0033:151.9908:116.0142|89.0032:77.0033:151.9909,Eawag
100.039.471,243-434-8,19939-82-3,1-naphthyl ß-D-glucopyranoside,1-naphthyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2",C16H18O6,,,,,,CVAOQMBKGUKOIZ-IBEHDNSVSA-N,,,,,,,,,,,
100.039.476,243-440-0,19957-85-8,1-methyl-4-(1-methyleneallyl)cyclohexene,1-methyl-4-(1-methyleneprop-2-en-1-yl)cyclohexene,CC1=CCC(CC1)C(=C)C=C,CC1=CCC(CC1)C(=C)C=C,"InChI=1/C11H16/c1-4-10(3)11-7-5-9(2)6-8-11/h4-5,11H,1,3,6-8H2,2H3",C11H16,,,,,,JYGOLEQLBBTOMP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.492,243-457-3,19997-52-5,"2-(bromomethyl)-2,3-dihydro-5-methoxybenzofuran","2-(bromomethyl)-5-methoxy-2,3-dihydro-1-benzofuran",COc1ccc2OC(CBr)Cc2c1,COc1ccc2OC(CBr)Cc2c1,"InChI=1/C10H11BrO2/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-4,9H,5-6H2,1H3",C10H11BrO2,,,,,,OJTFMQIEFYRCRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.539,219-291-2,2403-88-5,"2,2,6,6-tetramethylpiperidin-4-ol","2,2,6,6-tetramethylpiperidin-4-ol",CC1(C)CC(O)CC(C)(C)N1,CC1(C)CC(O)CC(C)(C)N1,"InChI=1/C9H19NO/c1-8(2)5-7(11)6-9(3,4)10-8/h7,10-11H,5-6H2,1-4H3",C9H19NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14709,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.539,VDVUCLWJZJHFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.547,219-301-5,2406-34-0,"1,1-dichlorosilacyclohexane","1,1-dichlorosilinane",Cl[Si]1(Cl)CCCCC1,Cl[Si]1(Cl)CCCCC1,InChI=1/C5H10Cl2Si/c6-8(7)4-2-1-3-5-8/h1-5H2,C5H10Cl2Si,,,,,,KPYXTYWOSWVJBL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.550,219-304-1,2407-43-4,5-ethylfuran-2(5H)-one,5-ethylfuran-2(5H)-one,CCC1OC(=O)C=C1,CCC1OC(=O)C=C1,"InChI=1/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3",C6H8O2,,,,,,GOUILHYTHSOMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.552,219-306-2,2407-94-5,"1,1'-dioxybiscyclohexan-1-ol","1,1'-dioxydicyclohexanol",OC1(CCCCC1)OOC2(O)CCCCC2,OC1(CCCCC1)OOC2(O)CCCCC2,"InChI=1/C12H22O4/c13-11(7-3-1-4-8-11)15-16-12(14)9-5-2-6-10-12/h13-14H,1-10H2",C12H22O4,,,,,,ZPOUDMYDJJMHOO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.556,219-310-4,2408-40-4,(E)-4-[1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenyl-ß-D-glucopyranosiduronic acid,"6-carboxy-3-{4-[1-ethyl-2-(4-hydroxyphenyl)but-1-en-1-yl]phenoxy}-4,5-dihydroxytetrahydro-2H-pyran-2-olate (non-preferred name)",CC\\C(=C(\\CC)/c1ccc(O[C@H]2[C@H]([O-])O[C@@H]([C@@H](O)[C@@H]2O)C(=O)O)cc1)\\c3ccc(O)cc3,CC\C(=C(\CC)/c1ccc(O[C@H]2[C@H]([O-])O[C@@H]([C@@H](O)[C@@H]2O)C(=O)O)cc1)\c3ccc(O)cc3,"InChI=1/C24H27O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-22-20(27)19(26)21(23(28)29)32-24(22)30/h5-12,19-22,24-27H,3-4H2,1-2H3,(H,28,29)/q-1",C24H28O8,,,,,,ZCLOQAHEHRVGHG-HMXYYYHASA-N,,,,,,,,,,,
100.017.561,219-316-7,2411-36-1,Triheptylamine,"N,N-diheptylheptan-1-amine",CCCCCCCN(CCCCCCC)CCCCCCC,CCCCCCCN(CCCCCCC)CCCCCCC,"InChI=1/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3",C21H45N,,,,,,CLZGJKHEVKJLLS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.567,219-323-5,2414-98-4,Magnesium ethanolate,magnesium diethanolate,[Mg+2].CC[O-].CC[O-],[Mg+2].CC[O-].CC[O-],"InChI=1/2C2H5O.Mg/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2",C2H6O.1/2Mg,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5837,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.567,XDKQUSKHRIUJEO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.574,219-330-3,2416-94-6,"2,3,6-trimethylphenol","2,3,6-trimethylphenol",Cc1ccc(C)c(O)c1C,Cc1ccc(C)c(O)c1C,"InChI=1/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3",C9H12O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1874,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.574,QQOMQLYQAXGHSU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.575,219-331-9,2416-98-0,"3-(1,1-dimethylethyl)[1,1'-biphenyl]-2-ol",3-tert-butylbiphenyl-2-ol,CC(C)(C)c1cccc(c1O)c2ccccc2,CC(C)(C)c1cccc(c1O)c2ccccc2,"InChI=1/C16H18O/c1-16(2,3)14-11-7-10-13(15(14)17)12-8-5-4-6-9-12/h4-11,17H,1-3H3",C16H18O,,,,,,HXVMQDBXJZKLEV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.577,219-334-5,2418-14-6,"2,3-dimercaptosuccinic acid","2,3-disulfanylsuccinic acid",OC(=O)C(S)C(S)C(=O)O,OC(=O)C(S)C(S)C(=O)O,"InChI=1/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)",C4H6O4S2,,,,,,ACTRVOBWPAIOHC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.578,219-335-0,2418-45-3,"Ergosta-5,7,22-trien-3-ß-yl acetate","ergosta-5,7,22-trien-3-yl acetate",CC(C)[C@@H](C)\\C=C\\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3",C30H46O2,,,,,,NGEVNHYPVVOXPB-RZZBNZQCSA-N,,,,,,,,,,,
100.020.959,223-054-9,3710-30-3,"Octa-1,7-diene","octa-1,7-diene",C=CCCCCC=C,C=CCCCCC=C,"InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2",C8H14,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5738,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.959,XWJBRBSPAODJER-UHFFFAOYSA-N,,,,,,,,,,,
100.020.964,223-060-1,3713-23-3,4-(4-amino-1-naphthylazo)benzenesulphonic acid,4-[(4-amino-1-naphthyl)diazenyl]benzenesulfonic acid,OS(=O)(=O)c3ccc(N=Nc1ccc(N)c2ccccc12)cc3,OS(=O)(=O)c3ccc(N=Nc1ccc(N)c2ccccc12)cc3,"InChI=1/C16H13N3O3S/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)23(20,21)22/h1-10H,17H2,(H,20,21,22)",C16H13N3O3S,,,,,,OOXOSYJUYWJBFW-UHFFFAOYSA-N,,,,,,,,,,,
100.026.728,229-400-5,6508-68-5,"Hexasodium 3,3'-azobis[7-(6-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)naphthalene-1,5-disulphonate]","hexasodium 3,3'-diazene-1,2-diylbis[7-(6-sulfonato-2H-naphtho[1,2-d][1,2,3]triazol-2-yl)naphthalene-1,5-disulfonate]",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c%10cccc1c%10ccc2nn(nc12)c3cc(c4cc(cc(c4c3)S([O-])(=O)=O)N=Nc5cc(c6cc(cc(c6c5)S([O-])(=O)=O)n9nc8c(ccc7c(cccc78)S([O-])(=O)=O)n9)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c%10cccc1c%10ccc2nn(nc12)c3cc(c4cc(cc(c4c3)S([O-])(=O)=O)N=Nc5cc(c6cc(cc(c6c5)S([O-])(=O)=O)n9nc8c(ccc7c(cccc78)S([O-])(=O)=O)n9)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C40H24N8O18S6.6Na/c49-67(50,51)33-5-1-3-25-23(33)7-9-31-39(25)45-47(43-31)21-15-29-27(37(17-21)71(61,62)63)11-19(13-35(29)69(55,56)57)41-42-20-12-28-30(36(14-20)70(58,59)60)16-22(18-38(28)72(64,65)66)48-44-32-10-8-24-26(40(32)46-48)4-2-6-34(24)68(52,53)54;;;;;;/h1-18H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;;;/q;6*+1/p-6",C40H24N8O18S6.6Na,,,,,,FTLCGVVRFDRTGD-UHFFFAOYSA-H,,,,,,,,,,,
100.026.730,229-402-6,6510-89-0,"1-methylethyl 3,4,5-trimethoxybenzoate","isopropyl 3,4,5-trimethoxybenzoate",COc1cc(cc(OC)c1OC)C(=O)OC(C)C,COc1cc(cc(OC)c1OC)C(=O)OC(C)C,"InChI=1/C13H18O5/c1-8(2)18-13(14)9-6-10(15-3)12(17-5)11(7-9)16-4/h6-8H,1-5H3",C13H18O5,,,,,,WSGQQLRXHFUPKV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.735,229-407-3,6517-69-7,a-[1-(phenylmethyl)piperidin-4-ylidene]phenylacetonitrile,(1-benzylpiperidin-4-ylidene)(phenyl)acetonitrile,N#CC(=C1CCN(Cc2ccccc2)CC1)c3ccccc3,N#CC(=C1CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C20H20N2/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17/h1-10H,11-14,16H2",C20H20N2,,,,,,FYLYJFHTUXMPDE-UHFFFAOYSA-N,,,,,,,,,,,
100.026.736,229-408-9,6521-29-5,Pentyl 4-hydroxybenzoate,pentyl 4-hydroxybenzoate,CCCCCOC(=O)c1ccc(O)cc1,CCCCCOC(=O)c1ccc(O)cc1,"InChI=1/C12H16O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3",C12H16O3,,,,,,ZNSSPLQZSUWFJT-UHFFFAOYSA-N,,,,,,,,,,,
100.026.744,229-417-8,6527-70-4,"Disodium 6,13-dichloro-3,10-bis(phenylamino)triphenodioxazine-2,9-disulphonate","disodium 3,10-dianilino-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc2N=C3C(=C4Oc5cc(Nc6ccccc6)c(cc5N=C4C(=C3Oc2cc1Nc7ccccc7)Cl)S(=O)(=O)[O-])Cl,[Na+].[Na+].[O-]S(=O)(=O)c1cc2N=C3C(=C4Oc5cc(Nc6ccccc6)c(cc5N=C4C(=C3Oc2cc1Nc7ccccc7)Cl)S(=O)(=O)[O-])Cl,"InChI=1/C30H18Cl2N4O8S2.2Na/c31-25-28-30(44-22-12-20(34-16-9-5-2-6-10-16)24(46(40,41)42)14-18(22)36-28)26(32)27-29(25)43-21-11-19(33-15-7-3-1-4-8-15)23(45(37,38)39)13-17(21)35-27;;/h1-14,33-34H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H18Cl2N4O8S2.2Na,,,,,,LGEZEBMVCAZZPP-UHFFFAOYSA-L,,,,,,,,,,,
100.026.745,229-418-3,6527-75-9,"[4-[[4-(dimethylamino)-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-(4-{[4-(dimethylamino)-2-methylphenyl][4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(C)C,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(C)C,"InChI=1/C26H32N3.ClH/c1-19-18-24(29(6)7)16-17-25(19)26(20-8-12-22(13-9-20)27(2)3)21-10-14-23(15-11-21)28(4)5;/h8-18H,1-7H3;1H/q+1;/p-1",C26H32N3.Cl,,,,,,IXWCEJQANYOPEE-UHFFFAOYSA-M,,,,,,,,,,,
100.026.746,229-419-9,6528-34-3,2-[(4-methoxy-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxobutyramide,2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide,COc2ccccc2NC(=O)C(N=Nc1ccc(OC)cc1[N+]([O-])=O)C(C)=O,COc2ccccc2NC(=O)C(N=Nc1ccc(OC)cc1[N+]([O-])=O)C(C)=O,"InChI=1/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)",C18H18N4O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5965,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.746,UFORAEIAYCSGCR-UHFFFAOYSA-N,,,,,,,,,,,
100.026.748,229-422-5,6528-49-0,"4-[(2,4-dichlorobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid","4-[(2,4-dichlorobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid",Oc1cc(cc2c(ccc(NC(=O)c3ccc(Cl)cc3Cl)c12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2c(ccc(NC(=O)c3ccc(Cl)cc3Cl)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H11Cl2NO8S2/c18-8-1-2-10(12(19)5-8)17(22)20-13-3-4-15(30(26,27)28)11-6-9(29(23,24)25)7-14(21)16(11)13/h1-7,21H,(H,20,22)(H,23,24,25)(H,26,27,28)",C17H11Cl2NO8S2,,,,,,JHXRWWCYQHFYAN-UHFFFAOYSA-N,,,,,,,,,,,
100.028.376,231-213-9,7447-59-8,N-ethyl-N-hydroxyaniline,N-ethyl-N-hydroxyaniline,CCN(O)c1ccccc1,CCN(O)c1ccccc1,"InChI=1/C8H11NO/c1-2-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3",C8H11NO,,,,,,MSILLSJAIFXEKY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.381,231-219-1,7450-97-7,"Succinic acid, compound with 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)-10H-phenothiazine (2:1)","10-(3-{4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl}propyl)-2-(trifluoromethyl)-10H-phenothiazine disuccinate",OC(=O)CCC(=O)O.OC(=O)CCC(=O)O.FC(F)(F)c1ccc2Sc3ccccc3N(CCCN4CCN(CCC5OCCCO5)CC4)c2c1,OC(=O)CCC(=O)O.OC(=O)CCC(=O)O.FC(F)(F)c1ccc2Sc3ccccc3N(CCCN4CCN(CCC5OCCCO5)CC4)c2c1,"InChI=1/C26H32F3N3O2S.2C4H6O4/c27-26(28,29)20-7-8-24-22(19-20)32(21-5-1-2-6-23(21)35-24)11-3-10-30-13-15-31(16-14-30)12-9-25-33-17-4-18-34-25;2*5-3(6)1-2-4(7)8/h1-2,5-8,19,25H,3-4,9-18H2;2*1-2H2,(H,5,6)(H,7,8)",C26H32F3N3O2S.2C4H6O4,,,,,,GGEQGDSOSYWSPU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.383,231-221-2,9/01/7452,a-ethyl-o-methoxybenzyl alcohol,1-(2-methoxyphenyl)propan-1-ol,CCC(O)c1ccccc1OC,CCC(O)c1ccccc1OC,"InChI=1/C10H14O2/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7,9,11H,3H2,1-2H3",C10H14O2,,,,,,VZYLWUFNOMSQSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.388,231-227-5,7453-26-1,"1-methyl-N-(methyldiphenylsilyl)-1,1-diphenylsilylamine","1-methyl-N-[methyl(diphenyl)silyl]-1,1-diphenylsilanamine",C[Si](N[Si](C)(c1ccccc1)c2ccccc2)(c3ccccc3)c4ccccc4,C[Si](N[Si](C)(c1ccccc1)c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C26H27NSi2/c1-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27-29(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,1-2H3",C26H27NSi2,,,,,,YFONAHAKNVIHPT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.937,216-429-3,1582-27-0,4-chlorobenzenediazonium hexafluorophosphate,4-chlorobenzenediazonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.Clc1ccc(cc1)[N+]#N,F[P-](F)(F)(F)(F)F.Clc1ccc(cc1)[N+]#N,"InChI=1/C6H4ClN2.F6P/c7-5-1-3-6(9-8)4-2-5;1-7(2,3,4,5)6/h1-4H;/q+1;-1",C6H4ClN2.F6P,,,,,,JOLVAGIWTVZCNF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.938,216-430-9,1583-58-0,"2,4-difluorobenzoic acid","2,4-difluorobenzoic acid",OC(=O)c1ccc(F)cc1F,OC(=O)c1ccc(F)cc1F,"InChI=1/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)",C7H4F2O2,,,,,,NJYBIFYEWYWYAN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.942,216-435-6,1583-88-6,p-fluorophenethylamine,2-(4-fluorophenyl)ethanamine,NCCc1ccc(F)cc1,NCCc1ccc(F)cc1,"InChI=1/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2",C8H10FN,,,,,,CKLFJWXRWIQYOC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.946,216-439-8,1585-07-5,p-bromoethylbenzene,1-bromo-4-ethylbenzene,CCc1ccc(Br)cc1,CCc1ccc(Br)cc1,"InChI=1/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3",C8H9Br,,,,,,URFPRAHGGBYNPW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.954,216-448-7,1587-15-1,Dimethyl malate,dimethyl malate,COC(=O)CC(O)C(=O)OC,COC(=O)CC(O)C(=O)OC,"InChI=1/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3",C6H10O5,,,,,,YSEKNCXYRGKTBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.956,216-450-8,1587-21-9,Tripropyl citrate,tripropyl citrate,CCCOC(=O)CC(O)(CC(=O)OCCC)C(=O)OCCC,CCCOC(=O)CC(O)(CC(=O)OCCC)C(=O)OCCC,"InChI=1/C15H26O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h19H,4-11H2,1-3H3",C15H26O7,,,,,,ODHUFJLMXDXVRC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.957,216-451-3,1588-60-9,"3,3-dichlorodihydrofuran-2(3H)-one","3,3-dichlorodihydrofuran-2(3H)-one",ClC1(Cl)CCOC1=O,ClC1(Cl)CCOC1=O,InChI=1/C4H4Cl2O2/c5-4(6)1-2-8-3(4)7/h1-2H2,C4H4Cl2O2,,,,,,IWXYAXGKGAHXPV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.963,216-458-1,1589-62-4,"Cyclohexanone-2,4-dinitrophenylhydrazone","1-cyclohexylidene-2-(2,4-dinitrophenyl)hydrazine",O=N(=O)c1ccc(NN=C2CCCCC2)c(c1)N(=O)=O,O=N(=O)c1ccc(NN=C2CCCCC2)c(c1)N(=O)=O,"InChI=1/C12H14N4O4/c17-15(18)10-6-7-11(12(8-10)16(19)20)14-13-9-4-2-1-3-5-9/h6-8,14H,1-5H2",C12H14N4O4,,,,,,QLWXZRVOHCYKKK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.453,243-414-9,19898-58-9,"(1a,3ß,4a,6a)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol","3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol",CC1(C)[C@@H]2C[C@@H](O)[C@](C)(O)C[C@H]12,CC1(C)[C@@H]2C[C@@H](O)[C@](C)(O)C[C@H]12,"InChI=1/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3",C10H18O2,,,,,,AHVKNBRJVKCGKJ-IBCQBUCCSA-N,,,,,,,,,,,
100.039.456,243-418-0,19898-61-4,"(1a,3a,4ß,6a)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol","3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol",CC1(C)[C@@H]2C[C@H](O)[C@@](C)(O)C[C@H]12,CC1(C)[C@@H]2C[C@H](O)[C@@](C)(O)C[C@H]12,"InChI=1/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3",C10H18O2,,,,,,AHVKNBRJVKCGKJ-VEVYYDQMSA-N,,,,,,,,,,,
100.039.457,243-419-6,19899-32-2,"(1a,2a,3a,5ß)-1,2,3,5-tetramethylcyclohexane","1,2,3,5-tetramethylcyclohexane",C[C@@H]1C[C@@H](C)[C@@H](C)[C@@H](C)C1,C[C@@H]1C[C@@H](C)[C@@H](C)[C@@H](C)C1,"InChI=1/C10H20/c1-7-5-8(2)10(4)9(3)6-7/h7-10H,5-6H2,1-4H3",C10H20,,,,,,HLPYGMSCWOQRJN-MSLAYNRJSA-N,,,,,,,,,,,
100.039.466,243-429-0,19931-81-8,"[1,3,5-benzenetriyltris(1-methylethylidene)]tris(tert-butyl) peroxide","1,3,5-tris[1-(tert-butylperoxy)-1-methylethyl]benzene",CC(C)(C)OOC(C)(C)c1cc(cc(c1)C(C)(C)OOC(C)(C)C)C(C)(C)OOC(C)(C)C,CC(C)(C)OOC(C)(C)c1cc(cc(c1)C(C)(C)OOC(C)(C)C)C(C)(C)OOC(C)(C)C,"InChI=1/C27H48O6/c1-22(2,3)28-31-25(10,11)19-16-20(26(12,13)32-29-23(4,5)6)18-21(17-19)27(14,15)33-30-24(7,8)9/h16-18H,1-15H3",C27H48O6,,,,,,WKKRYWQLVOISAU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.473,243-436-9,19942-78-0,Octyl thiocyanate,octyl thiocyanate,CCCCCCCCSC#N,CCCCCCCCSC#N,"InChI=1/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3",C9H17NS,,,,,,FGVYCHQRRXDRAR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.474,243-437-4,19947-75-2,"3,4-dimethylisoxazol-5-ylamine","3,4-dimethylisoxazol-5-amine",Cc1noc(N)c1C,Cc1noc(N)c1C,"InChI=1/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3",C5H8N2O,,,,,,PYNDWPFZDQONDV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.477,243-441-6,19959-22-9,Dodecyldimethylammonium bromide,"N,N-dimethyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[NH+](C)C,[Br-].CCCCCCCCCCCC[NH+](C)C,"InChI=1/C14H31N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4-14H2,1-3H3;1H",C14H31N.BrH,,,,,,DLFDEDJIVYYWTB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.481,243-445-8,19970-80-0,"Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol","3,3'-(1,4-diazepane-1,4-diyl)dipropan-1-ol",OCCCN1CCCN(CCCO)CC1,OCCCN1CCCN(CCCO)CC1,"InChI=1/C11H24N2O2/c14-10-2-6-12-4-1-5-13(9-8-12)7-3-11-15/h14-15H,1-11H2",C11H24N2O2,,,,,,WYKDLBVWXHCAJC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.484,243-448-4,19980-43-9,(1-cyclopenten-1-yloxy)trimethylsilane,(cyclopent-1-en-1-yloxy)(trimethyl)silane,C[Si](C)(C)OC1=CCCC1,C[Si](C)(C)OC1=CCCC1,"InChI=1/C8H16OSi/c1-10(2,3)9-8-6-4-5-7-8/h6H,4-5,7H2,1-3H3",C8H16OSi,,,,,,UBMYYGXGMPGCBO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.266,218-992-0,2309-47-9,a-methylthiophene-2-methanol,1-(2-thienyl)ethanol,CC(O)c1cccs1,CC(O)c1cccs1,"InChI=1/C6H8OS/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3",C6H8OS,,,,,,WUNFIVTVJXZDDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.269,218-995-7,2309-94-6,N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]propionamide,N-{2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}propanamide,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(=O)CC)N(CC)CC)[N+]([O-])=O,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(=O)CC)N(CC)CC)[N+]([O-])=O,"InChI=1/C20H21BrN6O3/c1-4-19(28)23-18-11-14(26(5-2)6-3)7-8-17(18)24-25-20-13(12-22)9-15(27(29)30)10-16(20)21/h7-11H,4-6H2,1-3H3,(H,23,28)",C20H21BrN6O3,,,,,,IGUCIQQRHZUQKG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.271,218-997-8,2310-83-0,"N,N'-ethane-1,2-diylbis[N-(phosphonomethyl)glycine","2,2'-{ethane-1,2-diylbis[(phosphonomethyl)imino]}diacetic acid (non-preferred name)",OC(=O)CN(CCN(CC(=O)O)CP(=O)(O)O)CP(=O)(O)O,OC(=O)CN(CCN(CC(=O)O)CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C8H18N2O10P2/c11-7(12)3-9(5-21(15,16)17)1-2-10(4-8(13)14)6-22(18,19)20/h1-6H2,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)",C8H18N2O10P2,,,,,,RXHMBVBZOIQMJR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.273,218-999-9,2310-98-7,2-bromo-2-chloropropane,2-bromo-2-chloropropane,CC(C)(Cl)Br,CC(C)(Cl)Br,"InChI=1/C3H6BrCl/c1-3(2,4)5/h1-2H3",C3H6BrCl,,,,,,YSQXISYCKHFJFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.282,219-009-8,2313-65-7,3-methylhexan-2-ol,3-methylhexan-2-ol,CCCC(C)C(C)O,CCCC(C)C(C)O,"InChI=1/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3",C7H16O,,,,,,IRLSKJITMWPWNY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.285,219-012-4,2314-49-0,Diethyl trithiocarbonate,diethyl trithiocarbonate,CCSC(=S)SCC,CCSC(=S)SCC,"InChI=1/C5H10S3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3",C5H10S3,,,,,,NRQCYLXIKLRTQE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.289,219-017-1,5/09/2315,Hex-3-enyl formate,hex-3-en-1-yl formate,CCC=CCCOC=O,CCC=CCCOC=O,"InChI=1/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3",C7H12O2,,,,,,XJHQVZQZUGLZLS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.291,219-019-2,2315-36-8,"2-chloro-N,N-diethylacetamide","2-chloro-N,N-diethylacetamide",CCN(CC)C(=O)CCl,CCN(CC)C(=O)CCl,"InChI=1/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3",C6H12ClNO,,,,,,CQQUWTMMFMJEFE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.294,219-022-9,2315-86-8,3-bromo-4-hydroxybenzonitrile,3-bromo-4-hydroxybenzonitrile,Oc1ccc(cc1Br)C#N,Oc1ccc(cc1Br)C#N,"InChI=1/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H",C7H4BrNO,,,,,,HLHNOIAOWQFNGW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.678,224-945-5,4568-28-9,"Stearic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","octadecanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C18H36O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10/h2-17H2,1H3,(H,19,20);8-10H,1-6H2",C18H36O2.C6H15NO3,,,,,,ZHALDANPYXAMJF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.684,224-951-8,4569-88-4,"3-amino-7-[(2-hydroxy-1-naphthyl)azo]-2,8-dimethyl-5-phenylphenazinium chloride","3-amino-7-[(2-hydroxy-1-naphthyl)diazenyl]-2,8-dimethyl-5-phenylphenazin-5-ium chloride",[Cl-].Oc6ccc1ccccc1c6N=Nc2cc3[n+](c4cc(N)c(C)cc4nc3cc2C)c5ccccc5,[Cl-].Oc6ccc1ccccc1c6N=Nc2cc3[n+](c4cc(N)c(C)cc4nc3cc2C)c5ccccc5,"InChI=1/C30H23N5O.ClH/c1-18-14-25-27(16-23(18)31)35(21-9-4-3-5-10-21)28-17-24(19(2)15-26(28)32-25)33-34-30-22-11-7-6-8-20(22)12-13-29(30)36;/h3-17H,1-2H3,(H2,31,33,36);1H",C30H24N5O.Cl,,,,,,SCMDRBZEIUMBBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.686,224-953-9,4571-51-1,"9ß,11ß-epoxy-6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","6-fluoro-17-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H29FO6/c1-12-7-15-16-9-18(25)17-8-14(27)5-6-21(17,3)24(16)20(31-24)10-22(15,4)23(12,29)19(28)11-30-13(2)26/h5-6,8,12,15-16,18,20,29H,7,9-11H2,1-4H3",C24H29FO6,,,,,,ZSDUSKSIXJMQRS-JRNNXUHZSA-N,,,,,,,,,,,
100.022.689,224-957-0,4573-50-6,(R)-6-(isopropyl)-3-methylcyclohex-2-en-1-one,6-isopropyl-3-methylcyclohex-2-en-1-one,CC(C)[C@H]1CCC(=CC1=O)C,CC(C)[C@H]1CCC(=CC1=O)C,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3",C10H16O,,,,,,YSTPAHQEHQSRJD-SECBINFHSA-N,,,,,,,,,,,
100.022.694,224-962-8,4578-58-9,"4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one","6-methyl-2-phenyl-4,5-dihydropyridazin-3(2H)-one",CC1=NN(C(=O)CC1)c2ccccc2,CC1=NN(C(=O)CC1)c2ccccc2,"InChI=1/C11H12N2O/c1-9-7-8-11(14)13(12-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C11H12N2O,,,,,,KQVXOJQOQRTUDA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.695,224-963-3,4578-66-9,2-benzoyloxybenzoic acid,2-(benzoyloxy)benzoic acid,OC(=O)c1ccccc1OC(=O)c2ccccc2,OC(=O)c1ccccc1OC(=O)c2ccccc2,"InChI=1/C14H10O4/c15-13(16)11-8-4-5-9-12(11)18-14(17)10-6-2-1-3-7-10/h1-9H,(H,15,16)",C14H10O4,,,,,,QSOVSKMNRYAVJR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.967,223-063-8,3715-31-9,Sodium 3-methyl-2-oxovalerate,sodium 3-methyl-2-oxopentanoate,[Na+].CCC(C)C(=O)C(=O)[O-],[Na+].CCC(C)C(=O)C(=O)[O-],"InChI=1/C6H10O3.Na/c1-3-4(2)5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1",C6H10O3.Na,,,,,,SMDJDLCNOXJGKC-UHFFFAOYSA-M,,,,,,,,,,,
100.020.973,223-070-6,3720-97-6,"4,5-dihydroxyimidazolidin-2-one","4,5-dihydroxyimidazolidin-2-one",OC1NC(=O)NC1O,OC1NC(=O)NC1O,"InChI=1/C3H6N2O3/c6-1-2(7)5-3(8)4-1/h1-2,6-7H,(H2,4,5,8)",C3H6N2O3,,,,,,NNTWKXKLHMTGBU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.974,223-071-1,3721-87-7,"2-aminononane-1,9-dioic acid",2-aminononanedioic acid,NC(CCCCCCC(=O)O)C(=O)O,NC(CCCCCCC(=O)O)C(=O)O,"InChI=1/C9H17NO4/c10-7(9(13)14)5-3-1-2-4-6-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)",C9H17NO4,,,,,,PEATYEGLPLYRIN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.975,223-072-7,3721-95-7,Cyclobutanecarboxylic acid,cyclobutanecarboxylic acid,OC(=O)C1CCC1,OC(=O)C1CCC1,"InChI=1/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)",C5H8O2,,,,,,TXWOGHSRPAYOML-UHFFFAOYSA-N,,,,,,,,,,,
100.020.980,223-077-4,3724-65-0,Crotonic acid,but-2-enoic acid,C\\C=C\\C(=O)O,C\C=C\C(=O)O,"InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)",C4H6O2,,,,,,LDHQCZJRKDOVOX-NSCUHMNNSA-N,,,,,,,,,,,
100.020.981,223-079-5,3724-89-8,Sodium hydrogen -S-(2-aminoethyl)thiophosphate,sodium S-(2-aminoethyl) hydrogen thiophosphate,NCCSP(=O)(O)O[Na],NCCSP(=O)(O)O[Na],"InChI=1/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6);/q;+1/p-1/rC2H7NNaO3PS/c3-1-2-9-8(5,6)7-4/h1-3H2,(H,5,6)",C2H8NO3PS.Na,,,,,,VZEGNYNPDZDIRW-UHFFFAOYSA-M,,,,,,,,,,,
100.020.982,223-080-0,3725-39-1,4-(1-cyclododecen-1-yl)morpholine,4-cyclododec-1-en-1-ylmorpholine,C1CCCCC\\C(=C\\CCCC1)\\N2CCOCC2,C1CCCCC\C(=C\CCCC1)\N2CCOCC2,"InChI=1/C16H29NO/c1-2-4-6-8-10-16(11-9-7-5-3-1)17-12-14-18-15-13-17/h10H,1-9,11-15H2",C16H29NO,,,,,,SZTBSJOMNRSBGA-YBEGLDIGSA-N,,,,,,,,,,,
100.020.987,223-085-8,3730-60-7,"2,5-dimethylhexan-2-ol","2,5-dimethylhexan-2-ol",CC(C)CCC(C)(C)O,CC(C)CCC(C)(C)O,"InChI=1/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3",C8H18O,,,,,,JPUIYNHIEXIFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.989,223-087-9,3731-38-2,Quinuclidin-3-one,quinuclidin-3-one,O=C1CN2CCC1CC2,O=C1CN2CCC1CC2,"InChI=1/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2",C7H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16364,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.989,ZKMZPXWMMSBLNO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.626,223-787-4,4074-06-0,Methyl 3-(dichloromethylsilyl)-2-methylpropionate,methyl 3-[dichloro(methyl)silyl]-2-methylpropanoate,COC(=O)C(C)C[Si](C)(Cl)Cl,COC(=O)C(C)C[Si](C)(Cl)Cl,"InChI=1/C6H12Cl2O2Si/c1-5(6(9)10-2)4-11(3,7)8/h5H,4H2,1-3H3",C6H12Cl2O2Si,,,,,,SKKYDEPISCENHR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.627,223-789-5,4074-25-3,"1,3,5-tri(tert-butyl)-2-nitrobenzene","1,3,5-tri-tert-butyl-2-nitrobenzene",CC(C)(C)c1cc(c(c(c1)C(C)(C)C)[N+](=O)[O-])C(C)(C)C,CC(C)(C)c1cc(c(c(c1)C(C)(C)C)[N+](=O)[O-])C(C)(C)C,"InChI=1/C18H29NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11H,1-9H3",C18H29NO2,,,,,,IMDZOFHRUMJNQR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.628,223-790-0,4074-43-5,3-butylphenol,3-butylphenol,CCCCc1cccc(O)c1,CCCCc1cccc(O)c1,"InChI=1/C10H14O/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8,11H,2-3,5H2,1H3",C10H14O,,,,,,MQSXUKPGWMJYBT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.629,223-791-6,4074-88-8,Oxydiethylene diacrylate,"oxydiethane-2,1-diyl bisacrylate",C=CC(=O)OCCOCCOC(=O)C=C,C=CC(=O)OCCOCCOC(=O)C=C,"InChI=1/C10H14O5/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h3-4H,1-2,5-8H2",C10H14O5,,,,,,LEJBBGNFPAFPKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.632,223-794-2,4075-59-6,Alpha-oxothiophen-2-acetic acid,oxo(2-thienyl)acetic acid,OC(=O)C(=O)c1cccs1,OC(=O)C(=O)c1cccs1,"InChI=1/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)",C6H4O3S,,,,,,GIWRVUADKUVEGU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.970,216-466-5,1590-87-0,Disilane,disilane,[SiH3][SiH3],[SiH3][SiH3],InChI=1/H6Si2/c1-2/h1-2H3,H6Si2,,,,,,PZPGRFITIJYNEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.973,216-469-1,1591-31-7,4-iodobiphenyl,4-iodobiphenyl,Ic1ccc(cc1)c2ccccc2,Ic1ccc(cc1)c2ccccc2,InChI=1/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,C12H9I,,,,,,NXYICUMSYKIABQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.990,216-488-5,1599-47-9,"1,1-dimethoxyhexane","1,1-dimethoxyhexane",CCCCCC(OC)OC,CCCCCC(OC)OC,"InChI=1/C8H18O2/c1-4-5-6-7-8(9-2)10-3/h8H,4-7H2,1-3H3",C8H18O2,,,,,,ZQUJUCJLDXTKKW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.991,216-489-0,1599-49-1,"4-methyl-2-pentyl-1,3-dioxolane","4-methyl-2-pentyl-1,3-dioxolane",CCCCCC1OCC(C)O1,CCCCCC1OCC(C)O1,"InChI=1/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3",C9H18O2,,,,,,GWMSIWCZZKMUQM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.994,216-492-7,1600-37-9,"1,1,2,3,3-pentachloropropene","1,1,2,3,3-pentachloroprop-1-ene",ClC(Cl)C(=C(Cl)Cl)Cl,ClC(Cl)C(=C(Cl)Cl)Cl,InChI=1/C3HCl5/c4-1(2(5)6)3(7)8/h2H,C3HCl5,,,,,,MAXQCYDCBHPIAB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.391,231-230-1,7456-83-9,"2,2'-oxybisacetaldehyde","2,2'-oxydiacetaldehyde",O=CCOCC=O,O=CCOCC=O,"InChI=1/C4H6O3/c5-1-3-7-4-2-6/h1-2H,3-4H2",C4H6O3,,,,,,RWGPAMBILZOZBK-UHFFFAOYSA-N,,,,,,,,,,,
100.028.393,231-232-2,4/08/7458,"10,11-dihydro-5-nitroso-5H-dibenz[b,f]azepine","5-nitroso-10,11-dihydro-5H-dibenzo[b,f]azepine",O=NN1c2ccccc2CCc3ccccc13,O=NN1c2ccccc2CCc3ccccc13,"InChI=1/C14H12N2O/c17-15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2",C14H12N2O,,,,,,AVXDYTPASFOWQY-UHFFFAOYSA-N,,,,,,,,,,,
100.025.141,227-655-7,5924-63-0,"N-(9,10-dihydro-9,10-dioxo-1-anthryl)[1,1'-biphenyl]-4-carboxamide","N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)biphenyl-4-carboxamide",O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)c5ccccc5,O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)c5ccccc5,"InChI=1/C27H17NO3/c29-25-20-9-4-5-10-21(20)26(30)24-22(25)11-6-12-23(24)28-27(31)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H,(H,28,31)",C27H17NO3,,,,,,ZRUUGRHGQSECFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.148,227-663-0,5927-18-4,Trimethyl phosphonoacetate,methyl (dimethoxyphosphoryl)acetate,COC(=O)CP(=O)(OC)OC,COC(=O)CP(=O)(OC)OC,"InChI=1/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3",C5H11O5P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10683,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.148,SIGOIUCRXKUEIG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.149,227-664-6,5927-49-1,Ethylenebis[dioctylphosphine] dioxide,"ethane-1,2-diylbis(dioctylphosphine) dioxide",CCCCCCCCP(=O)(CCCCCCCC)CCP(=O)(CCCCCCCC)CCCCCCCC,CCCCCCCCP(=O)(CCCCCCCC)CCP(=O)(CCCCCCCC)CCCCCCCC,"InChI=1/C34H72O2P2/c1-5-9-13-17-21-25-29-37(35,30-26-22-18-14-10-6-2)33-34-38(36,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-34H2,1-4H3",C34H72O2P2,,,,,,JBNGGHISODTKPN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.151,227-666-7,5928-68-7,Potassium benzilate,potassium hydroxy(diphenyl)acetate,[K+].OC(C(=O)[O-])(c1ccccc1)c2ccccc2,[K+].OC(C(=O)[O-])(c1ccccc1)c2ccccc2,"InChI=1/C14H12O3.K/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,17H,(H,15,16);/q;+1/p-1",C14H12O3.K,,,,,,VQNYSMISBDDUSN-UHFFFAOYSA-M,,,,,,,,,,,
100.025.156,227-671-4,5930-28-9,"4-amino-2,6-dichlorophenol","4-amino-2,6-dichlorophenol",Nc1cc(Cl)c(O)c(Cl)c1,Nc1cc(Cl)c(O)c(Cl)c1,"InChI=1/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2",C6H5Cl2NO,,,,,,KGEXISHTCZHGFT-UHFFFAOYSA-N,,,,,,,,,,,
100.025.161,227-677-7,5932-53-6,7-hydroxy-8-methylazabicyclo[3.2.1]octan-3-one,6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one,CN1C2CC(O)C1CC(=O)C2,CN1C2CC(O)C1CC(=O)C2,"InChI=1/C8H13NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5,7-8,11H,2-4H2,1H3",C8H13NO2,,,,,,UOHSTKWPZWFYTF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.168,227-685-0,5934-20-3,"N,N-dimethyl-10H-phenothiazine-10-ethylamine monohydrochloride","N,N-dimethyl-2-(10H-phenothiazin-10-yl)ethanamine",CN(C)CCN1c2ccccc2Sc3ccccc13,CN(C)CCN1c2ccccc2Sc3ccccc13,"InChI=1/C16H18N2S/c1-17(2)11-12-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18/h3-10H,11-12H2,1-2H3",C16H18N2S.ClH,,,,,,PFAXACNYGZVKMX-UHFFFAOYSA-N,,,,,,,,,,,
100.025.171,227-688-7,5934-56-5,L-idose,L-idose,OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-UNTFVMJOSA-N,,,,,,,,,,,
100.025.177,227-695-5,7/06/5938,(carboxymethyl)trimethylammonium bromide,"carboxy-N,N,N-trimethylmethanaminium bromide",[Br-].C[N+](C)(C)CC(=O)O,[Br-].C[N+](C)(C)CC(=O)O,"InChI=1/C5H11NO2.BrH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H",C5H12NO2.Br,,,,,,ZCCXZMHMPCCJIG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.184,227-702-1,5943-30-6,Bis(sec-butyl) disulphide,"2,2'-disulfanediyldibutane",CCC(C)SSC(C)CC,CCC(C)SSC(C)CC,"InChI=1/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3",C8H18S2,,,,,,QTWKINKGAHTPFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.186,227-704-2,5943-35-1,Di-tert-butyl tetrasulphide,di-tert-butyltetrasulfane,CC(C)(C)SSSSC(C)(C)C,CC(C)(C)SSSSC(C)(C)C,"InChI=1/C8H18S4/c1-7(2,3)9-11-12-10-8(4,5)6/h1-6H3",C8H18S4,,,,,,NHHSUCWHDQEHTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.766,227-242-1,5732-88-7,Cyclopentylideneacetonitrile,cyclopentylideneacetonitrile,N#CC=C1CCCC1,N#CC=C1CCCC1,"InChI=1/C7H9N/c8-6-5-7-3-1-2-4-7/h5H,1-4H2",C7H9N,,,,,,DNAYRSBMBDMJNU-UHFFFAOYSA-N,,,,,,,,,,,
100.024.768,227-244-2,8/03/5736,"2,2-dimethyl-1,3-dioxolane-4-carbaldehyde","2,2-dimethyl-1,3-dioxolane-4-carbaldehyde",CC1(C)OCC(O1)C=O,CC1(C)OCC(O1)C=O,"InChI=1/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3",C6H10O3,,,,,,YSGPYVWACGYQDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.770,227-246-3,5736-49-2,"1,1'-(bromomethylene)bis[2,3,4,5,6-pentafluorobenzene]","1,1'-(bromomethylene)bis(pentafluorobenzene)",Fc1c(F)c(F)c(C(Br)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F,Fc1c(F)c(F)c(C(Br)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F,InChI=1/C13HBrF10/c14-3(1-4(15)8(19)12(23)9(20)5(1)16)2-6(17)10(21)13(24)11(22)7(2)18/h3H,C13HBrF10,,,,,,YNRCTGFUNFLXMR-UHFFFAOYSA-N,,,,,,,,,,,
100.024.775,227-252-6,5739-17-3,2-methyl-3-pentylcyclopent-2-en-1-one,2-methyl-3-pentylcyclopent-2-en-1-one,CCCCCC1=C(C)C(=O)CC1,CCCCCC1=C(C)C(=O)CC1,"InChI=1/C11H18O/c1-3-4-5-6-10-7-8-11(12)9(10)2/h3-8H2,1-2H3",C11H18O,,,,,,NEZHCMOOOIHCJA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.487,243-452-6,19983-15-4,"4,5-dihydro-2-phenylthiazole-4-carboxylic acid","2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid",OC(=O)C1CSC(=N1)c2ccccc2,OC(=O)C1CSC(=N1)c2ccccc2,"InChI=1/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)",C10H9NO2S,,,,,,HOZQYTNELGLJMC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.488,243-453-1,19992-45-1,4-phenylcyclohexylamine,4-phenylcyclohexanamine,NC1CCC(CC1)c2ccccc2,NC1CCC(CC1)c2ccccc2,"InChI=1/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2",C12H17N,,,,,,SJISCEAZUHNOMD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.540,219-292-8,2403-89-6,"1,2,2,6,6-pentamethylpiperidin-4-ol","1,2,2,6,6-pentamethylpiperidin-4-ol",CN1C(C)(C)CC(O)CC1(C)C,CN1C(C)(C)CC(O)CC1(C)C,"InChI=1/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3",C10H21NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12392,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.540,NWHNXXMYEICZAT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.542,219-294-9,2404-35-5,Bromocycloheptane,bromocycloheptane,BrC1CCCCCC1,BrC1CCCCCC1,"InChI=1/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2",C7H13Br,,,,,,LOXORFRCPXUORP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.543,219-295-4,2404-44-6,Octyloxirane,2-octyloxirane,CCCCCCCCC1CO1,CCCCCCCCC1CO1,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3",C10H20O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12263,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.543,AAMHBRRZYSORSH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.544,219-297-5,2404-87-7,3-phenylthiophene,3-phenylthiophene,c1ccc(cc1)c2ccsc2,c1ccc(cc1)c2ccsc2,InChI=1/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H,C10H8S,,,,,,ZDQZVKVIYAPRON-UHFFFAOYSA-N,,,,,,,,,,,
100.017.545,219-298-0,2406-25-9,Di(tert-butyl)aminyl oxide,N-tert-butyl-N-hydroxy-2-methylpropan-2-amine,CC(C)(C)N(O)C(C)(C)C,CC(C)(C)N(O)C(C)(C)C,"InChI=1/C8H19NO/c1-7(2,3)9(10)8(4,5)6/h10H,1-6H3",C8H18NO,,,,,,JQDZCJWPDXZTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.551,219-305-7,2407-68-3,3-(dimethylamino)acrylonitrile,3-(dimethylamino)acrylonitrile,CN(C)\\C=C\\C#N,CN(C)\C=C\C#N,"InChI=1/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3",C5H8N2,,,,,,ZKKBIZXAEDFPNL-HWKANZROSA-N,,,,,,,,,,,
100.017.553,219-307-8,2408-20-0,Allyl propionate,allyl propionate,CCC(=O)OCC=C,CCC(=O)OCC=C,"InChI=1/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3",C6H10O2,,,,,,XRFWKHVQMACVTA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.557,219-312-5,2408-88-0,1-phenyl-2-[(phenylmethyl)thio]ethan-1-one,2-(benzylsulfanyl)-1-phenylethanone,O=C(CSCc1ccccc1)c2ccccc2,O=C(CSCc1ccccc1)c2ccccc2,"InChI=1/C15H14OS/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10H,11-12H2",C15H14OS,,,,,,OUNLDCIYHQIIQM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.558,219-313-0,2409-36-1,9H-carbazole-9-methanol,9H-carbazol-9-ylmethanol,OCn1c2ccccc2c3ccccc13,OCn1c2ccccc2c3ccccc13,"InChI=1/C13H11NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,15H,9H2",C13H11NO,,,,,,LRQYFGXOJXXKGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.560,219-315-1,2410-19-7,6-methylergoline-8ß-carboxamide,6-methylergoline-8-carboxamide,CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N,CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N,"InChI=1/C16H19N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-4,7,10,12,14,18H,5-6,8H2,1H3,(H2,17,20)",C16H19N3O,,,,,,OEVHDXFBOKGRLN-MPKXVKKWSA-N,,,,,,,,,,,
100.017.566,219-321-4,2413-38-9,4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol dihydrochloride,2-(4-{3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol dihydrochloride,Cl.Cl.FC(F)(F)c2cc3C(=CCCN1CCN(CCO)CC1)c4ccccc4Sc3cc2,Cl.Cl.FC(F)(F)c2cc3C(=CCCN1CCN(CCO)CC1)c4ccccc4Sc3cc2,"InChI=1/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H",C23H25F3N2OS.2ClH,,,,,,IOVDQEIIMOZNNA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.572,219-328-2,2415-87-4,3'-chloroacetoacetanilide,N-[3-(chloroacetyl)phenyl]acetamide,CC(=O)Nc1cccc(c1)C(=O)CCl,CC(=O)Nc1cccc(c1)C(=O)CCl,"InChI=1/C10H10ClNO2/c1-7(13)12-9-4-2-3-8(5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)",C10H10ClNO2,,,,,,GMDYGMPQLQNBEO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.583,219-340-8,2420-17-9,"5-(4-hydroxyphenyl)imidazolidine-2,4-dione","5-(4-hydroxyphenyl)imidazolidine-2,4-dione",Oc1ccc(cc1)C2NC(=O)NC2=O,Oc1ccc(cc1)C2NC(=O)NC2=O,"InChI=1/C9H8N2O3/c12-6-3-1-5(2-4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14)",C9H8N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10116,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.583,UMTNMIARZPDSDI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.584,219-341-3,2420-27-1,"N,N',N''-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine","N,N',N''-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine",COCNc1nc(NCOC)nc(NCOC)n1,COCNc1nc(NCOC)nc(NCOC)n1,"InChI=1/C9H18N6O3/c1-16-4-10-7-13-8(11-5-17-2)15-9(14-7)12-6-18-3/h4-6H2,1-3H3,(H3,10,11,12,13,14,15)",C9H18N6O3,,,,,,CZFJRMBYCKMYHU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.585,219-342-9,2420-87-3,"4,4'-biphthalic dianhydride","5,5'-bi-2-benzofuran-1,1',3,3'-tetrone",O=C1OC(=O)c2cc(ccc12)c3ccc4C(=O)OC(=O)c4c3,O=C1OC(=O)c2cc(ccc12)c3ccc4C(=O)OC(=O)c4c3,InChI=1/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H,C16H6O6,,,,,,WKDNYTOXBCRNPV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.696,224-964-9,4579-64-0,"Methyl 9,10-didehydro-6-methylergoline-8ß-carboxylate","methyl 6-methyl-9,10-didehydroergoline-8-carboxylate",COC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,COC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,"InChI=1/C17H18N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-6,8,11,15,18H,7,9H2,1-2H3",C17H18N2O2,,,,,,RNHDWLRHUJZABX-IAQYHMDHSA-N,,,,,,,,,,,
100.022.701,224-970-1,4584-46-7,2-chloroethyldimethylammonium chloride,"2-chloro-N,N-dimethylethanaminium chloride",[Cl-].C[NH+](C)CCCl,[Cl-].C[NH+](C)CCCl,"InChI=1/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H",C4H10ClN.ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8275,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.701,LQLJZSJKRYTKTP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.703,224-972-2,4587-19-3,Tetraethylammonium thiocyanate,"N,N,N-triethylethanaminium thiocyanate",CC[N+](CC)(CC)CC.[S-]C#N,CC[N+](CC)(CC)CC.[S-]C#N,"InChI=1/C8H20N.CHNS/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;3H/q+1;/p-1",C8H20N.CNS,,,,,,SCSJEBFMSZHPTH-UHFFFAOYSA-M,,,,,,,,,,,
100.022.704,224-973-8,4588-69-6,"N,N,N',N'-tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine","N,N,N',N'-tetrakis(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine",COCN(COC)c1nc(nc(n1)c2ccccc2)N(COC)COC,COCN(COC)c1nc(nc(n1)c2ccccc2)N(COC)COC,"InChI=1/C17H25N5O4/c1-23-10-21(11-24-2)16-18-15(14-8-6-5-7-9-14)19-17(20-16)22(12-25-3)13-26-4/h5-9H,10-13H2,1-4H3",C17H25N5O4,,,,,,YURHRQDCAMOWFM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.714,220-585-8,2825-82-3,"(3aa,4ß,7ß,7aa)-octahydro-4,7-methano-1H-indene","octahydro-1H-4,7-methanoindene",C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1,C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1,"InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2",C10H16,,,,,,LPSXSORODABQKT-FIRGSJFUSA-N,,,,,,,,,,,
100.018.719,220-591-0,2828-42-4,Acetone O-(N-phenylcarbamoyl)oxime,N-[(isopropylideneamino)oxy]benzamide,CC(=NONC(=O)c1ccccc1)C,CC(=NONC(=O)c1ccccc1)C,"InChI=1/C10H12N2O2/c1-8(2)11-14-12-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)",C10H12N2O2,,,,,,FFJSKLBTZLPIAH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.725,220-597-3,2831-60-9,"2-(2,4-dinitrophenoxy)ethanol","2-(2,4-dinitrophenoxy)ethanol",OCCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],OCCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O6/c11-3-4-16-8-2-1-6(9(12)13)5-7(8)10(14)15/h1-2,5,11H,3-4H2",C8H8N2O6,,,,,,YYTMNJWMYPSLOD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.730,220-602-9,1/05/2834,11-bromoundecanoic acid,11-bromoundecanoic acid,OC(=O)CCCCCCCCCCBr,OC(=O)CCCCCCCCCCBr,"InChI=1/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)",C11H21BrO2,,,,,,IUDGNRWYNOEIKF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.734,220-607-6,3/04/2835,5-amino-2-hydroxybenzenesulphonic acid,5-amino-2-hydroxybenzenesulfonic acid,Nc1ccc(O)c(c1)S(=O)(=O)O,Nc1ccc(O)c(c1)S(=O)(=O)O,"InChI=1/C6H7NO4S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)",C6H7NO4S,,,,,,SILINKWDNDDXTL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.735,220-608-1,5/06/2835,DL-a-phenylglycine,amino(phenyl)acetic acid,NC(C(=O)O)c1ccccc1,NC(C(=O)O)c1ccccc1,"InChI=1/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)",C8H9NO2,,,,,,ZGUNAGUHMKGQNY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.736,220-609-7,2835-39-4,Allyl isovalerate,allyl 3-methylbutanoate,CC(C)CC(=O)OCC=C,CC(C)CC(=O)OCC=C,"InChI=1/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3",C8H14O2,,,,,,HOMAGVUCNZNWBC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.737,220-610-2,2835-58-7,2-(phenylazo)aniline,2-(phenyldiazenyl)aniline,Nc2ccccc2N=Nc1ccccc1,Nc2ccccc2N=Nc1ccccc1,"InChI=1/C12H11N3/c13-11-8-4-5-9-12(11)15-14-10-6-2-1-3-7-10/h1-9H,13H2",C12H11N3,,,,,,KQZBSZUGKSCFBL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.744,220-618-6,2835-95-2,5-amino-o-cresol,5-amino-2-methylphenol,Cc1ccc(N)cc1O,Cc1ccc(N)cc1O,"InChI=1/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3",C7H9NO,,,,,,DBFYESDCPWWCHN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.745,220-619-1,2835-96-3,4-amino-o-cresol,4-amino-2-methylphenol,Cc1cc(N)ccc1O,Cc1cc(N)ccc1O,"InChI=1/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3",C7H9NO,,,,,,HDGMAACKJSBLMW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.746,220-620-7,2835-98-5,6-amino-m-cresol,2-amino-5-methylphenol,Cc1ccc(N)c(O)c1,Cc1ccc(N)c(O)c1,"InChI=1/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3",C7H9NO,,,,,,HCPJEHJGFKWRFM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.250,222-274-2,3401-74-9,Didodecyldimethylammonium chloride,"N-dodecyl-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,[Cl-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,"InChI=1/C26H56N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1",C26H56N.Cl,,,,,,WLCFKPHMRNPAFZ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.251,222-275-8,3401-80-7,"3,6-dichlorosalicylic acid","3,6-dichloro-2-hydroxybenzoic acid",OC(=O)c1c(O)c(Cl)ccc1Cl,OC(=O)c1c(O)c(Cl)ccc1Cl,"InChI=1/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)",C7H4Cl2O3,,,,,,FKIKPQHMWFZFEB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.252,222-276-3,3402-74-2,p-(p-nitrophenoxy)toluene,1-methyl-4-(4-nitrophenoxy)benzene,Cc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,Cc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C13H11NO3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3",C13H11NO3,,,,,,OCIIHACECRRKPN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.634,242-515-5,18704-37-5,Quinoline-8-sulphonyl chloride,quinoline-8-sulfonyl chloride,ClS(=O)(=O)c1cccc2cccnc12,ClS(=O)(=O)c1cccc2cccnc12,"InChI=1/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H",C9H6ClNO2S,,,,,,JUYUYCIJACTHMK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.638,242-519-7,18715-38-3,(E)-hex-3-enedinitrile,hex-3-enedinitrile,N#CC\\C=C\\CC#N,N#CC\C=C\CC#N,"InChI=1/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2",C6H6N2,,,,,,BSVZXPLUMFUWHW-OWOJBTEDSA-N,,,,,,,,,,,
100.038.643,242-524-4,18719-14-7,S-[2-(dimethylamino)ethyl] ethanethioate,S-[2-(dimethylamino)ethyl] ethanethioate,CN(C)CCSC(=O)C,CN(C)CCSC(=O)C,"InChI=1/C6H13NOS/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3",C6H13NOS,,,,,,WWQBUCLKROAZHO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.495,243-461-5,20006-68-2,"Dichloromethyl[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]silane","(dichloromethyl){3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl}silane",FC(F)(F)C(F)(OCCC[SiH2]C(Cl)Cl)C(F)(F)F,FC(F)(F)C(F)(OCCC[SiH2]C(Cl)Cl)C(F)(F)F,"InChI=1/C7H9Cl2F7OSi/c8-4(9)18-3-1-2-17-5(10,6(11,12)13)7(14,15)16/h4H,1-3,18H2",C7H9Cl2F7OSi,,,,,,JAOWZDLPVXXXMW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.498,243-464-1,20009-20-5,"4-(acetoxy)-a,a,4-trimethylcyclohexylmethyl acetate",1-(4-acetoxy-4-methylcyclohexyl)-1-methylethyl acetate,CC(=O)OC(C)(C)C1CCC(C)(CC1)OC(=O)C,CC(=O)OC(C)(C)C1CCC(C)(CC1)OC(=O)C,"InChI=1/C14H24O4/c1-10(15)17-13(3,4)12-6-8-14(5,9-7-12)18-11(2)16/h12H,6-9H2,1-5H3",C14H24O4,,,,,,BBRQAKVWMDMPRW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.128,245-257-1,22833-72-3,"Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-propionate","methyl 3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propanoate",COC(=O)CCC1C2CCC(C2)C1(C)C,COC(=O)CCC1C2CCC(C2)C1(C)C,"InChI=1/C13H22O2/c1-13(2)10-5-4-9(8-10)11(13)6-7-12(14)15-3/h9-11H,4-8H2,1-3H3",C13H22O2,,,,,,NYCUNWVIVVNUNY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.135,245-265-5,22843-50-1,"1,1,3,3,5,5-hexa[(2H3)methyl]-1,3,5-trisilacyclohexane","1,1,3,3,5,5-hexamethyl-1,3,5-trisilinane",C[Si]1(C)C[Si](C)(C)C[Si](C)(C)C1,C[Si]1(C)C[Si](C)(C)C[Si](C)(C)C1,"InChI=1/C9H24Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-9H2,1-6H3",C9H6D18Si3,,,,,,ICSWLKDKQBNKAY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.140,245-270-2,22863-79-2,Phenanthren-4-methanol,4-phenanthrylmethanol,OCc1cccc2ccc3ccccc3c12,OCc1cccc2ccc3ccccc3c12,"InChI=1/C15H12O/c16-10-13-6-3-5-12-9-8-11-4-1-2-7-14(11)15(12)13/h1-9,16H,10H2",C15H12O,,,,,,UJSGLVQRVAPNIY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.143,245-273-9,22871-55-2,Ethyl hydrogen 5-nitroisophthalate,3-(ethoxycarbonyl)-5-nitrobenzoic acid,CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,"InChI=1/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)",C10H9NO6,,,,,,HOYHBDFTELAGGG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.144,245-274-4,22871-56-3,3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid,3-[(2-hydroxyethyl)carbamoyl]-5-nitrobenzoic acid,OCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,OCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,"InChI=1/C10H10N2O6/c13-2-1-11-9(14)6-3-7(10(15)16)5-8(4-6)12(17)18/h3-5,13H,1-2H2,(H,11,14)(H,15,16)",C10H10N2O6,,,,,,CPXQPGXUDGWVSK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.146,245-277-0,22873-89-8,N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]acetamide,N-{7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]-1-naphthyl}acetamide,Oc3ccc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)[N+]([O-])=O,Oc3ccc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)[N+]([O-])=O,"InChI=1/C18H14N4O5/c1-10(23)19-13-4-2-3-11-5-7-16(25)18(17(11)13)21-20-14-9-12(22(26)27)6-8-15(14)24/h2-9,24-25H,1H3,(H,19,23)",C18H14N4O5,,,,,,IIDKVSFYSHLRDX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.148,245-279-1,22874-79-9,Octyl 2-butenoate,octyl but-2-enoate,CC=CC(=O)OCCCCCCCC,CC=CC(=O)OCCCCCCCC,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h4,10H,3,5-9,11H2,1-2H3",C12H22O2,,,,,,HULBECQFWZPEBI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.150,245-281-2,22876-18-2,"2,3-dihydro-2-oxobenzoxazole-6-sulphonamide","2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide",NS(=O)(=O)c1ccc2NC(=O)Oc2c1,NS(=O)(=O)c1ccc2NC(=O)Oc2c1,"InChI=1/C7H6N2O4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)(H2,8,11,12)",C7H6N2O4S,,,,,,FKHFSNZMBFSMHO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.158,245-290-1,22883-85-8,Ethyl 6-quinolyl ether,6-ethoxyquinoline,CCOc1ccc2ncccc2c1,CCOc1ccc2ncccc2c1,"InChI=1/C11H11NO/c1-2-13-10-5-6-11-9(8-10)4-3-7-12-11/h3-8H,2H2,1H3",C11H11NO,,,,,,AJAKVPMSAABZRX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.164,245-296-4,22886-36-8,Cytidylyl(2'<U+2192>5')adenosine,-,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(CO)OC3n4cnc5c(N)ncnc45)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(CO)OC3n4cnc5c(N)ncnc45)C(O)C2O,"InChI=1/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-28)36-18(14)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)",C19H25N8O11P,,,,,,URZNAIZQTLTEJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.589,219-347-6,6/11/2421,ß-phenylaziridine-1-ethanol,2-aziridin-1-yl-2-phenylethanol,OCC(N1CC1)c2ccccc2,OCC(N1CC1)c2ccccc2,"InChI=1/C10H13NO/c12-8-10(11-6-7-11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2",C10H13NO,,,,,,AOFNHMQBIXEYOK-UHFFFAOYSA-N,,,,,,,,,,,
100.024.777,227-254-7,5741-22-0,Moprolol,1-(isopropylamino)-3-(2-methoxyphenoxy)propan-2-ol,COc1ccccc1OCC(O)CNC(C)C,COc1ccccc1OCC(O)CNC(C)C,"InChI=1/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3",C13H21NO3,,,,,,LFTFGCDECFPSQD-UHFFFAOYSA-N,,,,,,,,,,,
100.024.779,227-256-8,5742-19-8,"Bis(2-hydroxyethyl)ammonium 2,4-dichlorophenoxyacetate","2-hydroxy-N-(2-hydroxyethyl)ethanaminium (2,4-dichlorophenoxy)acetate",OCC[NH2+]CCO.[O-]C(=O)COc1ccc(Cl)cc1Cl,OCC[NH2+]CCO.[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.C4H11NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;6-3-1-5-2-4-7/h1-3H,4H2,(H,11,12);5-7H,1-4H2",C8H6Cl2O3.C4H11NO2,,,,,,FDMDZIBZKGXZPT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.782,227-259-4,5743-22-6,Caffeine salicylate,"2-hydroxybenzoic acid - 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1)",CN1C(=O)N(C)c2ncn(C)c2C1=O.OC(=O)c3ccccc3O,CN1C(=O)N(C)c2ncn(C)c2C1=O.OC(=O)c3ccccc3O,"InChI=1/C8H10N4O2.C7H6O3/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10/h4H,1-3H3;1-4,8H,(H,9,10)",C8H10N4O2.C7H6O3,,,,,,SVXXBCDDJXZXOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.024.784,227-262-0,5743-31-7,Calcium dihydrogen dimalate,calcium dihydrogen bis(2-hydroxysuccinate),[Ca+2].OC(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])C(=O)[O-],[Ca+2].OC(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/2C4H6O5.Ca/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H,6,7)(H,8,9);/q;;+2/p-4",C4H6O5.1/2Ca,,,,,,NVGFAQTYFPBKGP-UHFFFAOYSA-J,,,,,,,,,,,
100.024.789,227-267-8,5743-97-5,Perhydrophenanthrene,tetradecahydrophenanthrene,C1CCC2C(C1)CCC3CCCCC23,C1CCC2C(C1)CCC3CCCCC23,"InChI=1/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2",C14H24,,,,,,GNMCGMFNBARSIY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.791,227-269-9,5746-17-8,"Potassium 2-(2,4-dichlorophenoxy)propionate","potassium 2-(2,4-dichlorophenoxy)propanoate",[K+].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],[K+].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H8Cl2O3.K/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);/q;+1/p-1",C9H8Cl2O3.K,,,,,,SIVJKMBJGCUUNS-UHFFFAOYSA-M,,,,,,,,,,,
100.024.801,227-280-9,5760-73-6,3-[[2-[(2-aminoethyl)amino]ethyl]amino]propiononitrile,3-({2-[(2-aminoethyl)amino]ethyl}amino)propanenitrile,NCCNCCNCCC#N,NCCNCCNCCC#N,"InChI=1/C7H16N4/c8-2-1-4-10-6-7-11-5-3-9/h10-11H,1,3-7,9H2",C7H16N4,,,,,,ORTUYCUWCKNIND-UHFFFAOYSA-N,,,,,,,,,,,
100.024.802,227-281-4,5762-18-5,2-ethylhexyl 4-[[(benzoylthio)dibutylstannyl]oxy]-4-oxoisocrotonate,2-ethylhexyl 4-{[(benzoylsulfanyl)(dibutyl)stannyl]oxy}-4-oxobut-2-enoate,CCCCC(CC)COC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)SC(=O)c1ccccc1,CCCCC(CC)COC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)SC(=O)c1ccccc1,"InChI=1/C12H20O4.C7H6OS.2C4H9.Sn/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC27H42O5SSn/c1-5-9-15-23(8-4)22-31-25(28)18-19-26(29)32-34(20-10-6-2,21-11-7-3)33-27(30)24-16-13-12-14-17-24/h12-14,16-19,23H,5-11,15,20-22H2,1-4H3",C27H42O5SSn,,,,,,JNVDDDHXSAKOHZ-LIIRSGIESA-L,,,,,,,,,,,
100.022.838,225-122-3,4673-31-8,3-propylpyridine,3-propylpyridine,CCCc1cccnc1,CCCc1cccnc1,"InChI=1/C8H11N/c1-2-4-8-5-3-6-9-7-8/h3,5-7H,2,4H2,1H3",C8H11N,,,,,,MLAXEZHEGARMPE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.839,225-123-9,4673-33-0,3-(hexadecyloxy)propylamine,3-(hexadecyloxy)propan-1-amine,CCCCCCCCCCCCCCCCOCCCN,CCCCCCCCCCCCCCCCOCCCN,"InChI=1/C19H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h2-20H2,1H3",C19H41NO,,,,,,HPIKNEFNXLGDDK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.840,225-124-4,4674-50-4,"[4R-(4a,4aa,6ß)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one","6-isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",CC1CC(=O)C=C2CCC(CC12C)C(=C)C,CC1CC(=O)C=C2CCC(CC12C)C(=C)C,"InChI=1/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3",C15H22O,,,,,,WTOYNNBCKUYIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.841,225-126-5,4675-64-3,Potassium hydrogen malate,hydrogen potassium malate,[K+].OC(CC(=O)[O-])C(=O)[O-],[K+].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.K/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+1/p-2",C4H6O5.K,,,,,,JZRVQGVITBCZDB-UHFFFAOYSA-L,,,,,,,,,,,
100.022.845,225-130-7,2/09/4677,"1,3,3-trimethyl-2-[(phenylazo)methylene]indoline","1,3,3-trimethyl-2-[(phenyldiazenyl)methylene]indoline",CC3(C)c1ccccc1N(C)C3=CN=Nc2ccccc2,CC3(C)c1ccccc1N(C)C3=CN=Nc2ccccc2,"InChI=1/C18H19N3/c1-18(2)15-11-7-8-12-16(15)21(3)17(18)13-19-20-14-9-5-4-6-10-14/h4-13H,1-3H3",C18H19N3,,,,,,QYQPYSMHVQAYIX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.846,225-131-2,4680-44-8,"Sodium 1,4-diheptyl sulphonatosuccinate","sodium 1,4-bis(heptyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCOC(=O)CC(C(=O)OCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCOC(=O)CC(C(=O)OCCCCCCC)S(=O)(=O)[O-],"InChI=1/C18H34O7S.Na/c1-3-5-7-9-11-13-24-17(19)15-16(26(21,22)23)18(20)25-14-12-10-8-6-4-2;/h16H,3-15H2,1-2H3,(H,21,22,23);/q;+1/p-1",C18H34O7S.Na,,,,,,RKQHKJFUNXLPGE-UHFFFAOYSA-M,,,,,,,,,,,
100.017.586,219-343-4,2420-94-2,2-aminoethyl methacrylate hydrochloride,2-aminoethyl 2-methylacrylate hydrochloride,Cl.CC(=C)C(=O)OCCN,Cl.CC(=C)C(=O)OCCN,"InChI=1/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H",C6H11NO2.ClH,,,,,,XSHISXQEKIKSGC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.957,223-052-8,3710-19-8,Chlorodipropylaluminium,chloro(dipropyl)aluminum,CCC[Al](Cl)CCC,CCC[Al](Cl)CCC,"InChI=1/2C3H7.Al.ClH/c2*1-3-2;;/h2*1,3H2,2H3;;1H/q;;+1;/p-1/rC6H14AlCl/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3",C6H14AlCl,,,,,,ZMXPNWBFRPIZFV-UHFFFAOYSA-M,,,,,,,,,,,
100.020.958,223-053-3,3710-23-4,2-(1-methylvinyl)naphthalene,2-isopropenylnaphthalene,CC(=C)c1ccc2ccccc2c1,CC(=C)c1ccc2ccccc2c1,"InChI=1/C13H12/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-9H,1H2,2H3",C13H12,,,,,,ANCUXNXTHQXICN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.960,223-055-4,3710-84-7,"N,N-diethylhydroxylamine",N-ethyl-N-hydroxyethanamine,CCN(O)CC,CCN(O)CC,"InChI=1/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3",C4H11NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13535,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.960,FVCOIAYSJZGECG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.962,223-058-0,3711-23-7,Tris(2-methylpentyl)aluminium,tris(2-methylpentyl)aluminum,CCCC(C)C[Al](CC(C)CCC)CC(C)CCC,CCCC(C)C[Al](CC(C)CCC)CC(C)CCC,"InChI=1/3C6H13.Al/c3*1-4-5-6(2)3;/h3*6H,2,4-5H2,1,3H3;/rC18H39Al/c1-7-10-16(4)13-19(14-17(5)11-8-2)15-18(6)12-9-3/h16-18H,7-15H2,1-6H3",C18H39Al,,,,,,WCWWRDANFBTPCH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.963,223-059-6,3712-92-3,"1,2-epoxy-6-(2,3-epoxypropoxy)hexahydro-4,7-methanoindan","3-(oxiran-2-ylmethoxy)octahydro-1aH-2,5-methanoindeno[1,2-b]oxirene",C(OC1CC2CC1C3C2CC4OC34)C5CO5,C(OC1CC2CC1C3C2CC4OC34)C5CO5,"InChI=1/C13H18O3/c1-6-2-10(15-5-7-4-14-7)9(1)12-8(6)3-11-13(12)16-11/h6-13H,1-5H2",C13H18O3,,,,,,NJBGVARMYOOVSX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.972,223-069-0,3720-16-9,3-methyl-5-propylcyclohex-2-enone,3-methyl-5-propylcyclohex-2-en-1-one,CCCC1CC(=CC(=O)C1)C,CCCC1CC(=CC(=O)C1)C,"InChI=1/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3",C10H16O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17156,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.972,URQMEZRQHLCJKR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.976,223-073-2,3724-36-5,(4-chlorophenyl)silane,(4-chlorophenyl)silane,[SiH3]c1ccc(Cl)cc1,[SiH3]c1ccc(Cl)cc1,"InChI=1/C6H7ClSi/c7-5-1-3-6(8)4-2-5/h1-4H,8H3",C6H7ClSi,,,,,,BMIUSFVDMBMIAD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.983,223-081-6,3726-23-6,Nicotinamide monohydroiodide,nicotinamide hydroiodide,I.NC(=O)c1cccnc1,I.NC(=O)c1cccnc1,"InChI=1/C6H6N2O.HI/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);1H",C6H6N2O.HI,,,,,,ITWGXEQHZZFQES-UHFFFAOYSA-N,,,,,,,,,,,
100.020.984,223-082-1,3726-36-1,"1,2,3,5-tetramethylcyclohexane","1,2,3,5-tetramethylcyclohexane",CC1CC(C)C(C)C(C)C1,CC1CC(C)C(C)C(C)C1,"InChI=1/C10H20/c1-7-5-8(2)10(4)9(3)6-7/h7-10H,5-6H2,1-4H3",C10H20,,,,,,HLPYGMSCWOQRJN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.986,223-084-2,3728-20-9,Methyl D-tyrosinate hydrochloride,methyl D-tyrosinate hydrochloride,Cl.COC(=O)[C@H](N)Cc1ccc(O)cc1,Cl.COC(=O)[C@H](N)Cc1ccc(O)cc1,"InChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H",C10H13NO3.ClH,,,,,,VXYFARNRGZWHTJ-SBSPUUFOSA-N,,,,,,,,,,,
100.020.990,223-088-4,3731-39-3,"N,N-dimethyl-4-(o-tolylazo)aniline","N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline",CN(C)c2ccc(N=Nc1ccccc1C)cc2,CN(C)c2ccc(N=Nc1ccccc1C)cc2,"InChI=1/C15H17N3/c1-12-6-4-5-7-15(12)17-16-13-8-10-14(11-9-13)18(2)3/h4-11H,1-3H3",C15H17N3,,,,,,PREOKNMPMCPQQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.996,223-095-2,3734-33-6,Denatonium benzoate,"N-benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate hydrate",O.CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2.[O-]C(=O)c3ccccc3,O.CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2.[O-]C(=O)c3ccccc3,"InChI=1/C21H28N2O.C7H6O2.H2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6;/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9);1H2",C21H29N2O.C7H5O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16728,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.996,YYMVPVZYUYQSJE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.630,223-792-1,4074-90-2,Divinyl adipate,divinyl adipate,C=COC(=O)CCCCC(=O)OC=C,C=COC(=O)CCCCC(=O)OC=C,"InChI=1/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2",C10H14O4,,,,,,JZQAAQZDDMEFGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.968,216-463-9,1590-50-7,N-(2-hydroxyethyl)-N-methylformamide,N-(2-hydroxyethyl)-N-methylformamide,CN(CCO)C=O,CN(CCO)C=O,"InChI=1/C4H9NO2/c1-5(4-7)2-3-6/h4,6H,2-3H2,1H3",C4H9NO2,,,,,,ZFEJGMDGENZPMS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.969,216-464-4,1590-67-6,[4-(hexadecylsulphonyl)phenyl]hydrazine,[4-(hexadecylsulfonyl)phenyl]hydrazine,CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NN)cc1,CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NN)cc1,"InChI=1/C22H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27(25,26)22-18-16-21(24-23)17-19-22/h16-19,24H,2-15,20,23H2,1H3",C22H40N2O2S,,,,,,CQXBNGQFWUTDKW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.295,220-124-0,2635-26-9,"p,p'-bis(heptyloxy)azoxybenzene",1-(heptyloxy)-4-{[4-(heptyloxy)phenyl]-NNO-azoxy}benzene,CCCCCCCOc1ccc(cc1)N=N(=O)c2ccc(OCCCCCCC)cc2,CCCCCCCOc1ccc(cc1)N=N(=O)c2ccc(OCCCCCCC)cc2,"InChI=1/C26H38N2O3/c1-3-5-7-9-11-21-30-25-17-13-23(14-18-25)27-28(29)24-15-19-26(20-16-24)31-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3",C26H38N2O3,,,,,,RFRFUCJJSRXPEE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.296,220-125-6,2635-75-8,4-(benzo(b)thienyl)acetic acid,1-benzothiophen-4-ylacetic acid,OC(=O)Cc1cccc2sccc12,OC(=O)Cc1cccc2sccc12,"InChI=1/C10H8O2S/c11-10(12)6-7-2-1-3-9-8(7)4-5-13-9/h1-5H,6H2,(H,11,12)",C10H8O2S,,,,,,IFOMXIGWQFOYLA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.306,220-136-6,2639-63-6,Hexyl butyrate,hexyl butyrate,CCCCCCOC(=O)CCC,CCCCCCOC(=O)CCC,"InChI=1/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3",C10H20O2,,,,,,XAPCMTMQBXLDBB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.309,220-139-2,2641-00-1,"3,5-dihydroxyphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","3,5-dihydroxyphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Oc1cc(O)cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c1,Oc1cc(O)cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c1,"InChI=1/C16H10N2O6S/c17-18-14-5-4-12-13(16(14)21)2-1-3-15(12)25(22,23)24-11-7-9(19)6-10(20)8-11/h1-8,19-20H",C16H10N2O6S,,,,,,LKOOWRZLGFGMEY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.311,220-141-3,2641-34-1,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propionyl fluoride","2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoyl fluoride",FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F,FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C9F18O3/c10-1(28)2(11,5(15,16)17)29-9(26,27)4(14,7(21,22)23)30-8(24,25)3(12,13)6(18,19)20",C9F18O3,,,,,,YSIGVPOSKQLNTO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.312,220-142-9,2641-89-6,"2,3,5,6-tetrabromohydroquinone","2,3,5,6-tetrabromobenzene-1,4-diol",Oc1c(Br)c(Br)c(O)c(Br)c1Br,Oc1c(Br)c(Br)c(O)c(Br)c1Br,InChI=1/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H,C6H2Br4O2,,,,,,DTFQULSULHRJOA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.314,220-145-5,2642-37-7,Potassium indol-3-yl sulphate,potassium 1H-indol-3-yl sulfate,[K+].[O-]S(=O)(=O)Oc1c[nH]c2ccccc12,[K+].[O-]S(=O)(=O)Oc1c[nH]c2ccccc12,"InChI=1/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1",C8H7NO4S.K,,,,,,MDAWATNFDJIBBD-UHFFFAOYSA-M,,,,,,,,,,,
100.018.318,220-149-7,2642-98-0,Chrysen-6-ylamine,chrysen-6-amine,Nc1cc2c3ccccc3ccc2c4ccccc14,Nc1cc2c3ccccc3ccc2c4ccccc14,"InChI=1/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2",C18H13N,,,,,,KIVUHCNVDWYUNP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.325,220-157-0,1/08/2645,Ethyl N2-benzoyl-L-argininate monohydrochloride,ethyl N~2~-benzoyl-L-argininate hydrochloride,Cl.CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1,Cl.CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1,"InChI=1/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H",C15H22N4O3.ClH,,,,,,HIXDELXKSSLIKB-YDALLXLXSA-N,,,,,,,,,,,
100.018.333,220-165-4,2649-76-5,"3-ethoxypregna-3,5-diene-21,17a-carbolactone","3-ethoxy-10,13-dimethyl-1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one",CCOC1=CC2=CCC3C(CCC4(C)C3CCC45CCC(=O)O5)C2(C)CC1,CCOC1=CC2=CCC3C(CCC4(C)C3CCC45CCC(=O)O5)C2(C)CC1,"InChI=1/C24H34O3/c1-4-26-17-7-11-22(2)16(15-17)5-6-18-19(22)8-12-23(3)20(18)9-13-24(23)14-10-21(25)27-24/h5,15,18-20H,4,6-14H2,1-3H3",C24H34O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12211,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.333,PFOMZLRVGKNKCE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.336,220-169-6,2650-30-8,"Sodium 3,5,5-trimethylhexanoate","sodium 3,5,5-trimethylhexanoate",[Na+].CC(CC(=O)[O-])CC(C)(C)C,[Na+].CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/C9H18O2.Na/c1-7(5-8(10)11)6-9(2,3)4;/h7H,5-6H2,1-4H3,(H,10,11);/q;+1/p-1",C9H18O2.Na,,,,,,ZHVCSGCGBCHVLW-UHFFFAOYSA-M,,,,,,,,,,,
100.018.337,220-170-1,2650-40-0,"3,3,5,5-tetramethylcyclohexanol","3,3,5,5-tetramethylcyclohexanol",CC1(C)CC(O)CC(C)(C)C1,CC1(C)CC(O)CC(C)(C)C1,"InChI=1/C10H20O/c1-9(2)5-8(11)6-10(3,4)7-9/h8,11H,5-7H2,1-4H3",C10H20O,,,,,,PIQXIIHPQBQVTP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.340,220-173-8,2650-64-8,N2-[(phenylmethoxy)carbonyl]-L-glutamine,N~2~-[(benzyloxy)carbonyl]-L-glutamine,NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O,NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)",C13H16N2O5,,,,,,JIMLDJNLXLMGLX-JTQLQIEISA-N,,,,,,,,,,,
100.018.341,220-174-3,2651-46-9,4-chlorobutyl phenyl ether,(4-chlorobutoxy)benzene,ClCCCCOc1ccccc1,ClCCCCOc1ccccc1,"InChI=1/C10H13ClO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2",C10H13ClO,,,,,,JKXCPAVECBFBOC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.593,219-351-8,2422-91-5,Methylidynetri-p-phenylene triisocyanate,"1,1',1''-methanetriyltris(4-isocyanatobenzene)",O=C=Nc1ccc(cc1)C(c2ccc(cc2)N=C=O)c3ccc(cc3)N=C=O,O=C=Nc1ccc(cc1)C(c2ccc(cc2)N=C=O)c3ccc(cc3)N=C=O,"InChI=1/C22H13N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-12,22H",C22H13N3O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10298,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.593,LTIKIBFTASQKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.597,219-356-5,4/02/2424,N-ethylallylamine,N-ethylprop-2-en-1-amine,CCNCC=C,CCNCC=C,"InChI=1/C5H11N/c1-3-5-6-4-2/h3,6H,1,4-5H2,2H3",C5H11N,,,,,,PUUULGNNRPBVBA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.599,219-358-6,2424-58-0,Allyl hydrogen maleate,4-(allyloxy)-4-oxobut-2-enoic acid,OC(=O)\\C=C/C(=O)OCC=C,OC(=O)\C=C/C(=O)OCC=C,"InChI=1/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)",C7H8O4,,,,,,PEKZMKOVRVVTTN-ARJAWSKDSA-N,,,,,,,,,,,
100.017.604,219-363-3,1/06/2425,Captafol,"2-[(1,1,2,2-tetrachloroethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,"InChI=1/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2",C10H9Cl4NO2S,,,,,,JHRWWRDRBPCWTF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.619,219-380-6,2428-06-0,"2-chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane","2-chloro-5,5-dimethyl-1,3,2-dioxaphosphinane",CC1(C)COP(Cl)OC1,CC1(C)COP(Cl)OC1,"InChI=1/C5H10ClO2P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3",C5H10ClO2P,,,,,,RAOZVFGTRXLBTA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.622,219-383-2,2429-72-3,"Disodium 3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate","disodium 3-({4'-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1C)c4ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c(C)c4)c(O)c6ccccc56,[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1C)c4ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c(C)c4)c(O)c6ccccc56,"InChI=1/C34H27N5O8S2.2Na/c1-18-13-20(7-11-27(18)36-38-29-17-30(48(42,43)44)25-5-3-4-6-26(25)33(29)40)21-8-12-28(19(2)14-21)37-39-32-31(49(45,46)47)16-22-15-23(35)9-10-24(22)34(32)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C34H27N5O8S2.2Na,,,,,,CWVISFDXEWCPPS-UHFFFAOYSA-L,,,,,,,,,,,
100.019.131,221-043-3,2983-37-1,Ethyl 2-ethylhexanoate,ethyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCC,CCCCC(CC)C(=O)OCC,"InChI=1/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3",C10H20O2,,,,,,YXAGIRHBJJLWHW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.132,221-044-9,2983-38-2,Ethyl 2-ethylbutyrate,ethyl 2-ethylbutanoate,CCOC(=O)C(CC)CC,CCOC(=O)C(CC)CC,"InChI=1/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3",C8H16O2,,,,,,MJGSLNIPTRPYJV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.633,223-795-8,4075-81-4,Calcium dipropionate,calcium dipropanoate,[Ca+2].CCC(=O)[O-].CCC(=O)[O-],[Ca+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.1/2Ca,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5706,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.633,BCZXFFBUYPCTSJ-UHFFFAOYSA-L,,,,,,,,,,,
100.021.634,223-796-3,2/02/4076,"Sodium 2,3-dimercaptopropanesulphonate","sodium 2,3-disulfanylpropane-1-sulfonate",[Na+].[O-]S(=O)(=O)CC(S)CS,[Na+].[O-]S(=O)(=O)CC(S)CS,"InChI=1/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1",C3H8O3S3.Na,,,,,,FGGPAWQCCGEWTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.021.636,223-798-4,4078-19-7,ß-methylaziridine-1-propiononitrile,3-aziridin-1-ylbutanenitrile,CC(CC#N)N1CC1,CC(CC#N)N1CC1,"InChI=1/C6H10N2/c1-6(2-3-7)8-4-5-8/h6H,2,4-5H2,1H3",C6H10N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17575,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.636,KMBJEVSXNIUPIH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.642,223-806-6,4080-95-9,Azelaohydrazide,nonanedihydrazide,NNC(=O)CCCCCCCC(=O)NN,NNC(=O)CCCCCCCC(=O)NN,"InChI=1/C9H20N4O2/c10-12-8(14)6-4-2-1-3-5-7-9(15)13-11/h1-7,10-11H2,(H,12,14)(H,13,15)",C9H20N4O2,,,,,,ZWLFGLCGZUVIEA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.643,223-807-1,4081-35-0,"2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bisphenol","2,2'-[hexane-1,6-diylbis(nitrilomethylylidene)]diphenol",Oc2ccccc2C=NCCCCCCN=Cc1ccccc1O,Oc2ccccc2C=NCCCCCCN=Cc1ccccc1O,"InChI=1/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-12,15-16,23-24H,1-2,7-8,13-14H2",C20H24N2O2,,,,,,DXVHKINVBJRBGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.644,223-808-7,4082-55-7,Methyl nonacosan-1-oate,methyl nonacosanoate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C30H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-2/h3-29H2,1-2H3",C30H60O2,,,,,,WGNBXLBBAVTMCK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.646,223-810-8,4083-64-1,p-toluenesulphonyl isocyanate,4-methylbenzenesulfonyl isocyanate,Cc1ccc(cc1)S(=O)(=O)N=C=O,Cc1ccc(cc1)S(=O)(=O)N=C=O,"InChI=1/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3",C8H7NO3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10026,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.646,VLJQDHDVZJXNQL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.649,223-813-4,4085-18-1,3-nitrobiphenyl-4-ylamine,3-nitrobiphenyl-4-amine,Nc1ccc(cc1[N+](=O)[O-])c2ccccc2,Nc1ccc(cc1[N+](=O)[O-])c2ccccc2,"InChI=1/C12H10N2O2/c13-11-7-6-10(8-12(11)14(15)16)9-4-2-1-3-5-9/h1-8H,13H2",C12H10N2O2,,,,,,MQDYZYVWFUIEQU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.858,225-144-3,4687-94-9,"(1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)] diacrylate","propane-2,2-diylbis(4,1-phenyleneoxy-2-hydroxypropane-3,1-diyl) bisacrylate",CC(C)(c1ccc(OCC(O)COC(=O)C=C)cc1)c2ccc(OCC(O)COC(=O)C=C)cc2,CC(C)(c1ccc(OCC(O)COC(=O)C=C)cc1)c2ccc(OCC(O)COC(=O)C=C)cc2,"InChI=1/C27H32O8/c1-5-25(30)34-17-21(28)15-32-23-11-7-19(8-12-23)27(3,4)20-9-13-24(14-10-20)33-16-22(29)18-35-26(31)6-2/h5-14,21-22,28-29H,1-2,15-18H2,3-4H3",C27H32O8,,,,,,VZTQQYMRXDUHDO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.859,225-145-9,4688-74-8,Phenyl dihydrogen orthoborate,phenyl dihydrogen borate,OB(O)Oc1ccccc1,OB(O)Oc1ccccc1,"InChI=1/C6H7BO3/c8-7(9)10-6-4-2-1-3-5-6/h1-5,8-9H",C6H7BO3,,,,,,OSCBARYHPZZEIS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.861,225-148-5,4692-52-8,Sodium 1-octadecene-1-sulphonate,sodium octadec-1-ene-1-sulfonate,[Na+].O=S([O-])(=O)C=CCCCCCCCCCCCCCCCC,[Na+].O=S([O-])(=O)C=CCCCCCCCCCCCCCCCC,"InChI=1/C18H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;/h17-18H,2-16H2,1H3,(H,19,20,21);/q;+1/p-1",C18H36O3S.Na,,,,,,SZGKXOCIHKEMHV-UHFFFAOYSA-M,,,,,,,,,,,
100.022.867,225-154-8,5/11/4694,"2,2,4,4-tetramethylcyclopentan-1-one","2,2,4,4-tetramethylcyclopentanone",CC1(C)CC(=O)C(C)(C)C1,CC1(C)CC(=O)C(C)(C)C1,"InChI=1/C9H16O/c1-8(2)5-7(10)9(3,4)6-8/h5-6H2,1-4H3",C9H16O,,,,,,JDORIKSLMUURSD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.868,225-155-3,6/12/4694,"2,4,4-trimethylcyclopentan-1-one","2,4,4-trimethylcyclopentanone",CC1CC(C)(C)CC1=O,CC1CC(C)(C)CC1=O,"InChI=1/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3",C8H14O,,,,,,OXTQEWUBDTVSFB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.869,225-156-9,4694-80-8,"4,5-dihydro-2-propyloxazole","2-propyl-4,5-dihydro-1,3-oxazole",CCCC1=NCCO1,CCCC1=NCCO1,"InChI=1/C6H11NO/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3",C6H11NO,,,,,,GXCJLVVUIVSLOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.872,225-160-0,4695-62-9,"(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one","1,3,3-trimethylbicyclo[2.2.1]heptan-2-one",C[C@]12CCC(C1)C(C)(C)C2=O,C[C@]12CCC(C1)C(C)(C)C2=O,"InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",C10H16O,,,,,,LHXDLQBQYFFVNW-MHPPCMCBSA-N,,,,,,,,,,,
100.022.873,225-161-6,4696-46-2,Ammonium octadecyl sulphate,ammonium octadecyl sulfate,[NH4+].CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C18H38O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);1H3",C18H38O4S.H3N,,,,,,NGOVNSCURCOLBI-UHFFFAOYSA-N,,,,,,,,,,,
100.023.000,225-300-0,4762-22-5,1-cyclohexylbiguanide monohydrochloride,N-cyclohexylimidodicarbonimidic diamide,NC(=N)NC(=N)NC1CCCCC1,NC(=N)NC(=N)NC1CCCCC1,"InChI=1/C8H17N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H6,9,10,11,12,13)",C8H17N5.ClH,,,,,,USGCMNLQYSXCDU-UHFFFAOYSA-N,,,,,,,,,,,
100.023.001,225-301-6,4762-26-9,Hexyltriphenylphosphonium bromide,hexyl(triphenyl)phosphonium bromide,[Br-].CCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1",C24H28P.Br,,,,,,PWDFZWZPWFYFTC-UHFFFAOYSA-M,,,,,,,,,,,
100.023.005,225-305-8,4766-57-8,Tetrabutyl orthosilicate,tetrabutyl orthosilicate,CCCCO[Si](OCCCC)(OCCCC)OCCCC,CCCCO[Si](OCCCC)(OCCCC)OCCCC,"InChI=1/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3",C16H36O4Si,,,,,,UQMOLLPKNHFRAC-UHFFFAOYSA-N,,,,,,,,,,,
100.028.397,231-236-4,7459-63-4,"6-phenyl-1,3,5-triazine-2,4(1H,3H)-dione","6-phenyl-1,3,5-triazine-2,4(1H,3H)-dione",O=C1NC(=O)N=C(N1)c2ccccc2,O=C1NC(=O)N=C(N1)c2ccccc2,"InChI=1/C9H7N3O2/c13-8-10-7(11-9(14)12-8)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12,13,14)",C9H7N3O2,,,,,,KGKPZSCTAFFXBV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.402,231-242-7,7459-97-4,Atropine nitrate,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate nitrate (salt),CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.O[N+](=O)[O-],CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.O[N+](=O)[O-],"InChI=1/C17H23NO3.HNO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;2-1(3)4/h2-6,13-16,19H,7-11H2,1H3;(H,2,3,4)",C17H23NO3.HNO3,,,,,,MJYHSOCPRKVNKH-RIMUKSHESA-N,,,,,,,,,,,
100.028.409,231-250-0,7461-94-1,N-propylsalicylamide,2-propoxybenzamide,NC(=O)c1ccccc1OCCC,NC(=O)c1ccccc1OCCC,"InChI=1/C10H13NO2/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)",C10H13NO2,,,,,,FAVIQMSTEFBUJX-UHFFFAOYSA-N,,,,,,,,,,,
100.028.415,231-256-3,7463-53-8,2-(4-nitrophenyl)butyric acid,2-(4-nitrophenyl)butanoic acid,CCC(C(=O)O)c1ccc(cc1)[N+](=O)[O-],CCC(C(=O)O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H11NO4/c1-2-9(10(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)",C10H11NO4,,,,,,XBGNOMBPRQVJSR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.422,231-264-7,7469-23-0,N-benzoyl-DL-threonine,N-benzoyl-L-threonine,O=C(N[C@H](C(O)=O)C(C)O)c1ccccc1,O=C(N[C@H](C(O)=O)C(C)O)c1ccccc1,"InChI=1/C11H13NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,12,14)(H,15,16)",C11H13NO4,,,,,,IOQIWWTVXOPYQR-NETXQHHPSA-N,,,,,,,,,,,
100.028.423,231-265-2,7469-77-4,2-methyl-1-naphthol,2-methyl-1-naphthol,Cc1ccc2ccccc2c1O,Cc1ccc2ccccc2c1O,"InChI=1/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7,12H,1H3",C11H10O,,,,,,SRJCJJKWVSSELL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.974,216-470-7,1591-95-3,Perfluorophenyl isocyanate,"1,2,3,4,5-pentafluoro-6-isocyanatobenzene",Fc1c(F)c(F)c(N=C=O)c(F)c1F,Fc1c(F)c(F)c(N=C=O)c(F)c1F,InChI=1/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10,C7F5NO,,,,,,QXLDBWRLZDBVGF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.982,216-479-6,1596-19-6,6-cyclopentyl-o-cresol,2-cyclopentyl-6-methylphenol,Cc1cccc(C2CCCC2)c1O,Cc1cccc(C2CCCC2)c1O,"InChI=1/C12H16O/c1-9-5-4-8-11(12(9)13)10-6-2-3-7-10/h4-5,8,10,13H,2-3,6-7H2,1H3",C12H16O,,,,,,DYQPZDLXQPYGSU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.983,216-480-1,1596-56-1,"3-(phosphonooxy)-N-(2,4-xylyl)naphthalene-2-carboxamide","3-[(2,4-dimethylphenyl)carbamoyl]-2-naphthyl dihydrogen phosphate",Cc1ccc(NC(=O)c2cc3ccccc3cc2OP(=O)(O)O)c(C)c1,Cc1ccc(NC(=O)c2cc3ccccc3cc2OP(=O)(O)O)c(C)c1,"InChI=1/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)",C19H18NO5P,,,,,,IOMLBTHPCVDRHM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.988,216-485-9,1596-84-5,Daminozide,"4-(2,2-dimethylhydrazino)-4-oxobutanoic acid",CN(C)NC(=O)CCC(=O)O,CN(C)NC(=O)CCC(=O)O,"InChI=1/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)",C6H12N2O3,,,,,,NOQGZXFMHARMLW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.993,216-491-1,1600-27-7,Mercury di(acetate),mercury diacetate,[Hg+2].CC(=O)[O-].CC(=O)[O-],[Hg+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Hg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Hg,,,,,,BRMYZIKAHFEUFJ-UHFFFAOYSA-L,,,,,,,,,,,
100.014.998,216-496-9,1602-41-1,"N2-(2,4-dinitrophenyl)-L-glutamine","N~2~-(2,4-dinitrophenyl)-L-glutamine",NC(=O)CC[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,NC(=O)CC[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C11H12N4O7/c12-10(16)4-3-8(11(17)18)13-7-2-1-6(14(19)20)5-9(7)15(21)22/h1-2,5,8,13H,3-4H2,(H2,12,16)(H,17,18)",C11H12N4O7,,,,,,OLIFDVJRECUYJH-QMMMGPOBSA-N,,,,,,,,,,,
100.014.999,216-497-4,1602-42-2,"N2-(2,4-dinitrophenyl)-L-arginine","N~2~-(2,4-dinitrophenyl)-L-arginine",NC(=N)NCCC[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,NC(=N)NCCC[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C12H16N6O6/c13-12(14)15-5-1-2-9(11(19)20)16-8-4-3-7(17(21)22)6-10(8)18(23)24/h3-4,6,9,16H,1-2,5H2,(H,19,20)(H4,13,14,15)",C12H16N6O6,,,,,,GZJXZYUXRVBOAH-VIFPVBQESA-N,,,,,,,,,,,
100.038.625,242-505-0,18691-97-9,Methabenzthiazuron,"1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea",CNC(=O)N(C)c1nc2ccccc2s1,CNC(=O)N(C)c1nc2ccccc2s1,"InChI=1/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)",C10H11N3OS,,,,,,RRVIAQKBTUQODI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.627,242-507-1,18694-40-1,Epirizole,4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidine,COc1cc(C)nc(n1)n2nc(C)cc2OC,COc1cc(C)nc(n1)n2nc(C)cc2OC,"InChI=1/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3",C11H14N4O2,,,,,,RHAXSHUQNIEUEY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.631,242-511-3,18699-02-0,4-acetamidophenylacetic acid,(4-acetamidophenyl)acetic acid,CC(=O)Nc1ccc(CC(=O)O)cc1,CC(=O)Nc1ccc(CC(=O)O)cc1,"InChI=1/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)",C10H11NO3,,,,,,MROJXXOCABQVEF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.632,242-512-9,18699-48-4,Diisobutyl terephthalate,diisobutyl terephthalate,CC(C)COC(=O)c1ccc(cc1)C(=O)OCC(C)C,CC(C)COC(=O)c1ccc(cc1)C(=O)OCC(C)C,"InChI=1/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3",C16H22O4,,,,,,LQKWPGAPADIOSS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.637,242-518-1,18708-70-8,"1,3,5-trichloro-2-nitrobenzene","1,3,5-trichloro-2-nitrobenzene",[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl,[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl,InChI=1/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H,C6H2Cl3NO2,,,,,,AEBJDOTVYMITIA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.496,243-462-0,20006-85-3,Methyl cyclopent-2-ene-1-acetate,methyl cyclopent-2-en-1-ylacetate,COC(=O)CC1CCC=C1,COC(=O)CC1CCC=C1,"InChI=1/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h2,4,7H,3,5-6H2,1H3",C8H12O2,,,,,,NGMGARDIUOMOGH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.497,243-463-6,20007-72-1,"3,4,8,8a-tetrahydro-8a-methyl-(2H,7H)naphthalene-1,6-dione","8a-methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione",CC12CCC(=O)C=C1CCCC2=O,CC12CCC(=O)C=C1CCCC2=O,"InChI=1/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3",C11H14O2,,,,,,DNHDRUMZDHWHKG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.137,245-267-6,22855-36-3,2-phenoxyethyl carbonate(2:1),bis(2-phenoxyethyl) carbonate,O=C(OCCOc1ccccc1)OCCOc2ccccc2,O=C(OCCOc1ccccc1)OCCOc2ccccc2,"InChI=1/C17H18O5/c18-17(21-13-11-19-15-7-3-1-4-8-15)22-14-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2",C17H18O5,,,,,,CGNVHKVTWSUAJF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.139,245-269-7,22862-76-6,"1,4,5-trideoxy-1,4-imino-5-(p-methoxyphenyl)-D-xylo-pentitol 3-acetate",4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate,COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(=O)C)cc1,COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(=O)C)cc1,"InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3",C14H19NO4,,,,,,YKJYKKNCCRKFSL-RDBSUJKOSA-N,,,,,,,,,,,
100.018.342,220-175-9,2652-13-3,Icosamethylnonasiloxane,icosamethylnonasiloxane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C20H60O8Si9/c1-29(2,3)21-31(7,8)23-33(11,12)25-35(15,16)27-37(19,20)28-36(17,18)26-34(13,14)24-32(9,10)22-30(4,5)6/h1-20H3",C20H60O8Si9,,,,,,XVNZQBSRKFXKSM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.307,219-037-0,2324-98-3,"2,3,5,6-tetrafluoroanisole","1,2,4,5-tetrafluoro-3-methoxybenzene",COc1c(F)c(F)cc(F)c1F,COc1c(F)c(F)cc(F)c1F,"InChI=1/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3",C7H4F4O,,,,,,AXCOCGJDERQVDK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.313,219-043-3,6/07/2328,"a-[(o-nitrophenyl)azo]benzimidazoline-<U+0394>2,a-acetamide",2-(1H-benzimidazol-2-yl)-2-[(2-nitrophenyl)diazenyl]acetamide,NC(=O)C(N=Nc1ccccc1N(=O)=O)c2nc3ccccc3[nH]2,NC(=O)C(N=Nc1ccccc1N(=O)=O)c2nc3ccccc3[nH]2,"InChI=1/C15H12N6O3/c16-14(22)13(15-17-9-5-1-2-6-10(9)18-15)20-19-11-7-3-4-8-12(11)21(23)24/h1-8,13H,(H2,16,22)(H,17,18)",C15H12N6O3,,,,,,UJLHDEXRNCZGJN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.314,219-044-9,2328-31-6,"2,3-dichlorobenzyl methylcarbamate","2,3-dichlorobenzyl methylcarbamate",CNC(=O)OCc1cccc(Cl)c1Cl,CNC(=O)OCc1cccc(Cl)c1Cl,"InChI=1/C9H9Cl2NO2/c1-12-9(13)14-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13)",C9H9Cl2NO2,,,,,,SESJCOBCXSACPH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.315,219-045-4,8/05/2338,Iron citrate,"iron(3+) 2-hydroxypropane-1,2,3-tricarboxylate tetrahydrate",[Fe+3].O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O,[Fe+3].O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O,"InChI=1/C6H8O7.Fe.4H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;4*1H2/q;+3;;;;/p-3",C6H8O7.xFe,,,,,,VTIIZUHZMUVVCB-UHFFFAOYSA-K,,,,,,,,,,,
100.017.326,219-058-5,2344-80-1,Chloromethyltrimethylsilane,(chloromethyl)(trimethyl)silane,C[Si](C)(C)CCl,C[Si](C)(C)CCl,"InChI=1/C4H11ClSi/c1-6(2,3)4-5/h4H2,1-3H3",C4H11ClSi,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16484,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.326,OOCUOKHIVGWCTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.329,219-061-1,2345-24-6,Neryl isobutyrate,"3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate",CC(C)C(=O)OC\\C=C(/C)\\CCC=C(C)C,CC(C)C(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3",C14H24O2,,,,,,OGJYXQFXLSCKTP-UKTHLTGXSA-N,,,,,,,,,,,
100.017.334,219-066-9,2345-34-8,4-acetoxybenzoic acid,4-acetoxybenzoic acid,CC(=O)Oc1ccc(cc1)C(=O)O,CC(=O)Oc1ccc(cc1)C(=O)O,"InChI=1/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)",C9H8O4,,,,,,GDBUZIKSJGRBJP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.337,219-070-0,2345-61-1,trans-3-chloroacrylic acid,3-chloroacrylic acid,Cl\\C=C\\C(O)=O,Cl\C=C\C(O)=O,"InChI=1/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)",C3H3ClO2,,,,,,MHMUCYJKZUZMNJ-OWOJBTEDSA-N,,,,,,,,,,,
100.017.339,219-072-1,2346-81-8,3-chlorohexane,3-chlorohexane,CCCC(Cl)CC,CCCC(Cl)CC,"InChI=1/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3",C6H13Cl,,,,,,BXSMMAVTEURRGG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.341,219-074-2,2347-80-0,Thioproperazine dimesilate,"N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine-2-sulfonamide dimethanesulfonate",CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1.CS(=O)(=O)O.CS(=O)(=O)O,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1.CS(=O)(=O)O.CS(=O)(=O)O,"InChI=1/C22H30N4O2S2.2CH4O3S/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;2*1-5(2,3)4/h4-5,7-10,17H,6,11-16H2,1-3H3;2*1H3,(H,2,3,4)",C22H30N4O2S2.2CH4O3S,,,,,,QPMDKXBBAVQDCB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.344,219-077-9,2349-58-8,"1,3-dihydro-4,5-diphenyl-2H-imidazole-2-thione","4,5-diphenyl-1,3-dihydro-2H-imidazole-2-thione",S=C1NC(=C(N1)c2ccccc2)c3ccccc3,S=C1NC(=C(N1)c2ccccc2)c3ccccc3,"InChI=1/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)",C15H12N2S,,,,,,GMTAWLUJHGIUPU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.345,219-078-4,2349-67-9,"5-amino-1,3,4-thiadiazole-2-thiol","5-amino-1,3,4-thiadiazole-2-thiol",Nc1nnc(S)s1,Nc1nnc(S)s1,"InChI=1/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)",C2H3N3S2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16210,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.345,GDGIVSREGUOIJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.347,219-081-0,2350-11-0,2-chlorododecane,2-chlorododecane,CCCCCCCCCCC(C)Cl,CCCCCCCCCCC(C)Cl,"InChI=1/C12H25Cl/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3",C12H25Cl,,,,,,IRQJPTVOWBXCHM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.723,224-994-2,4595-61-3,Pyrimidine-5-carboxylic acid,pyrimidine-5-carboxylic acid,OC(=O)c1cncnc1,OC(=O)c1cncnc1,"InChI=1/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)",C5H4N2O2,,,,,,IIVUJUOJERNGQX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.730,225-003-6,4600-97-9,"1-(2-chloroethyl)-1,2,3,6-tetrahydro-4-phenylpyridinium chloride","1-(2-chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridinium chloride",[Cl-].ClCC[NH+]1CCC(=CC1)c2ccccc2,[Cl-].ClCC[NH+]1CCC(=CC1)c2ccccc2,"InChI=1/C13H16ClN.ClH/c14-8-11-15-9-6-13(7-10-15)12-4-2-1-3-5-12;/h1-6H,7-11H2;1H",C13H16ClN.ClH,,,,,,ZSGKTBOEIUEDOS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.732,225-005-7,4604-41-5,O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine,O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine,N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,"InChI=1/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)",C15H13I2NO4,,,,,,CPCJBZABTUOGNM-LBPRGKRZSA-N,,,,,,,,,,,
100.021.652,223-817-6,4086-70-8,Magnesium myristate,magnesium ditetradecanoate,[Mg+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C14H28O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2",C14H28O2.1/2Mg,,,,,,DMRBHZWQMKSQGR-UHFFFAOYSA-L,,,,,,,,,,,
100.021.655,223-820-2,4089-07-0,Ethyl L-tyrosinate hydrochloride,ethyl L-tyrosinate hydrochloride,Cl.CCOC(=O)[C@@H](N)Cc1ccc(O)cc1,Cl.CCOC(=O)[C@@H](N)Cc1ccc(O)cc1,"InChI=1/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H",C11H15NO3.ClH,,,,,,BQULAXAVRFIAHN-PPHPATTJSA-N,,,,,,,,,,,
100.021.656,223-821-8,4089-53-6,Tris(tridecan-1-yl) phosphite,tritridecyl phosphite,CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC,"InChI=1/C39H81O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3",C39H81O3P,,,,,,PEXOFOFLXOCMDX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.657,223-822-3,4089-56-9,Dihexyl pentasulphide,dihexylpentasulfane,CCCCCCSSSSSCCCCCC,CCCCCCSSSSSCCCCCC,"InChI=1/C12H26S5/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-12H2,1-2H3",C12H26S5,,,,,,CVKMVKOPUGPBSF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.661,223-827-0,4090-17-9,N-(chloroacetyl)-DL-valine,N-(chloroacetyl)-L-valine,CC(C)[C@H](NC(=O)CCl)C(O)=O,CC(C)[C@H](NC(=O)CCl)C(O)=O,"InChI=1/C7H12ClNO3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)",C7H12ClNO3,,,,,,LJRISAYPKJORFZ-LURJTMIESA-N,,,,,,,,,,,
100.021.664,223-830-7,4090-52-2,"2,2'-oxybis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2'-dioxide","2,2'-oxybis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide",CC1(C)COP(=O)(OP2(=O)OCC(C)(C)CO2)OC1,CC1(C)COP(=O)(OP2(=O)OCC(C)(C)CO2)OC1,"InChI=1/C10H20O7P2/c1-9(2)5-13-18(11,14-6-9)17-19(12)15-7-10(3,4)8-16-19/h5-8H2,1-4H3",C10H20O7P2,,,,,,ABOQUUWIIIVSEK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.666,223-832-8,4090-60-2,"5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide","5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide",CC1(C)COP(=O)OC1,CC1(C)COP(=O)OC1,"InChI=1/C5H11O3P/c1-5(2)3-7-9(6)8-4-5/h9H,3-4H2,1-2H3",C5H11O3P,,,,,,QHXZLTUNAVKFIT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.667,223-833-3,4091-26-3,Styrene-ß-sulphonyl chloride,2-phenylethenesulfonyl chloride,ClS(=O)(=O)\\C=C\\c1ccccc1,ClS(=O)(=O)\C=C\c1ccccc1,"InChI=1/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H",C8H7ClO2S,,,,,,ONWRSBMOCIQLRK-VOTSOKGWSA-N,,,,,,,,,,,
100.021.668,223-834-9,4091-39-8,3-chlorobutan-2-one,3-chlorobutan-2-one,CC(Cl)C(=O)C,CC(Cl)C(=O)C,"InChI=1/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3",C4H7ClO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16212,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.668,OIMRLHCSLQUXLL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.669,223-835-4,4091-75-2,"16-a-chloro-3-methoxyoestra-1,3,5(10)-trien-17-one","16-chloro-3-methoxyestra-1,3,5(10)-trien-17-one",COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](Cl)C4=O)[C@@H]3CCc2c1,COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](Cl)C4=O)[C@@H]3CCc2c1,"InChI=1/C19H23ClO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-17H,3,5,7-8,10H2,1-2H3",C19H23ClO2,,,,,,UQIPVSBPFZSWGD-ILYVXUQDSA-N,,,,,,,,,,,
100.021.677,223-844-3,4093-41-8,Methyl 4-(acetylamino)-5-nitro-o-anisate,methyl 4-acetamido-2-methoxy-5-nitrobenzoate,COC(=O)c1cc(c(NC(=O)C)cc1OC)[N+](=O)[O-],COC(=O)c1cc(c(NC(=O)C)cc1OC)[N+](=O)[O-],"InChI=1/C11H12N2O6/c1-6(14)12-8-5-10(18-2)7(11(15)19-3)4-9(8)13(16)17/h4-5H,1-3H3,(H,12,14)",C11H12N2O6,,,,,,AGSSDWHUSPSVFS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.645,242-527-0,18719-58-9,Tris(2-chloroethyl) orthoformate,"1,1'-{[(2-chloroethoxy)methylene]bis(oxy)}bis(2-chloroethane)",ClCCOC(OCCCl)OCCCl,ClCCOC(OCCCl)OCCCl,"InChI=1/C7H13Cl3O3/c8-1-4-11-7(12-5-2-9)13-6-3-10/h7H,1-6H2",C7H13Cl3O3,,,,,,RKHRVKJTCSHZCR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.646,242-528-6,18719-76-1,Keracyanin,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride",[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H",C27H31O15.Cl,,,,,,JCGQHUSHLRRUTM-XYGAWYNKSA-M,,,,,,,,,,,
100.038.653,242-535-4,18725-28-5,"1-(1-[1,1'-biphenyl]-4-yl-1-methylethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)",1-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]-L-proline - N-cyclohexylcyclohexanamine (1:1),CC(C)(OC(=O)N1CCC[C@H]1C(=O)O)c2ccc(cc2)c3ccccc3.C4CCC(CC4)NC5CCCCC5,CC(C)(OC(=O)N1CCC[C@H]1C(=O)O)c2ccc(cc2)c3ccccc3.C4CCC(CC4)NC5CCCCC5,"InChI=1/C21H23NO4.C12H23N/c1-21(2,26-20(25)22-14-6-9-18(22)19(23)24)17-12-10-16(11-13-17)15-7-4-3-5-8-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-5,7-8,10-13,18H,6,9,14H2,1-2H3,(H,23,24);11-13H,1-10H2",C21H23NO4.C12H23N,,,,,,HELVDZPTQLEDTH-FERBBOLQSA-N,,,,,,,,,,,
100.038.656,242-539-6,18728-61-5,a-methylpyridine-2-methanol,1-pyridin-2-ylethanol,CC(O)c1ccccn1,CC(O)c1ccccn1,"InChI=1/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3",C7H9NO,,,,,,PPHIIIRFJKDTLG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.424,231-266-8,7469-83-2,1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid,1-(4-methoxyphenyl)cyclohexanecarboxylic acid,COc1ccc(cc1)C2(CCCCC2)C(=O)O,COc1ccc(cc1)C2(CCCCC2)C(=O)O,"InChI=1/C14H18O3/c1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)",C14H18O3,,,,,,JKJAJSWMKTWWJS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.427,231-269-4,7473-35-0,2-C-methyl-D-ribonic acid,2-C-methyl-D-ribonic acid,C[C@@](O)([C@H](O)[C@H](O)CO)C(=O)O,C[C@@](O)([C@H](O)[C@H](O)CO)C(=O)O,"InChI=1/C6H12O6/c1-6(12,5(10)11)4(9)3(8)2-7/h3-4,7-9,12H,2H2,1H3,(H,10,11)",C6H12O6,,,,,,RJVPHXILZGIYQT-ZMIZWQJLSA-N,,,,,,,,,,,
100.028.428,231-271-5,7473-45-2,Methyl ß-D-ribofuranoside,methyl beta-D-ribofuranoside,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3",C6H12O5,,,,,,NALRCAPFICWVAQ-KVTDHHQDSA-N,,,,,,,,,,,
100.028.431,231-274-1,7474-78-4,"3,4-diaminobenzenesulphonic acid","3,4-diaminobenzenesulfonic acid",Nc1ccc(cc1N)S(=O)(=O)O,Nc1ccc(cc1N)S(=O)(=O)O,"InChI=1/C6H8N2O3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)",C6H8N2O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11245,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.431,FKSRSWQTEJTBMI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.437,231-280-4,7477-64-7,"1-(4-chlorophenyl)ethane-1,2-diol","1-(4-chlorophenyl)ethane-1,2-diol",OCC(O)c1ccc(Cl)cc1,OCC(O)c1ccc(Cl)cc1,"InChI=1/C8H9ClO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2",C8H9ClO2,,,,,,QIVMDIMEYSDOSD-UHFFFAOYSA-N,,,,,,,,,,,
100.028.440,231-284-6,7478-69-5,"4,4'-vinylidenebis(N,N-dimethylaniline)","4,4'-ethene-1,1-diylbis(N,N-dimethylaniline)",CN(C)c1ccc(cc1)C(=C)c2ccc(cc2)N(C)C,CN(C)c1ccc(cc1)C(=C)c2ccc(cc2)N(C)C,"InChI=1/C18H22N2/c1-14(15-6-10-17(11-7-15)19(2)3)16-8-12-18(13-9-16)20(4)5/h6-13H,1H2,2-5H3",C18H22N2,,,,,,HBWITNNIJDLPLS-UHFFFAOYSA-N,,,,,,,,,,,
100.028.442,231-286-7,7480-80-0,5-methyl-1H-indene,5-methyl-1H-indene,Cc1ccc2CC=Cc2c1,Cc1ccc2CC=Cc2c1,"InChI=1/C10H10/c1-8-5-6-9-3-2-4-10(9)7-8/h2,4-7H,3H2,1H3",C10H10,,,,,,YLHSETDFVAXPRB-UHFFFAOYSA-N,,,,,,,,,,,
100.028.443,231-287-2,7481-27-8,"Copper bis(O,O-diisopropyl) bis(dithiophosphate)","O,O-diisopropyl hydrogen dithiophosphate",CC(C)OP(=S)(S)OC(C)C,CC(C)OP(=S)(S)OC(C)C,"InChI=1/C6H15O2PS2/c1-5(2)7-9(10,11)8-6(3)4/h5-6H,1-4H3,(H,10,11)",C6H15O2PS2.1/2Cu,,,,,,SZXCCXFNQHQRGF-UHFFFAOYSA-N,,,,,,,,,,,
100.028.444,231-288-8,7483-59-2,"3-(piperazin-1-yl)propane-1,2-diol","3-piperazin-1-ylpropane-1,2-diol",OCC(O)CN1CCNCC1,OCC(O)CN1CCNCC1,"InChI=1/C7H16N2O2/c10-6-7(11)5-9-3-1-8-2-4-9/h7-8,10-11H,1-6H2",C7H16N2O2,,,,,,UXQHRRWIFFJGMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.025.191,227-710-5,5949-18-8,Cinchophen sodium,-,[Na+].OC(=O)c1cc(nc2ccccc12)c3ccccc3,[Na+].OC(=O)c1cc(nc2ccccc12)c3ccccc3,"InChI=1/C16H11NO2.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h1-10H,(H,18,19);/q;+1",C16H11NO2.Na,,,,,,ZSOINCKGNIMAEG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.193,227-712-6,5949-44-0,17ß-hydroxyandrost-4-en-3-one undecanoate,3-oxoandrost-4-en-17-yl undecanoate,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3",C30H48O3,,,,,,UDSFVOAUHKGBEK-CNQKSJKFSA-N,,,,,,,,,,,
100.025.195,227-714-7,5950-82-3,"Phenol, compound with N,N-dibutylbutylamine (1:1)","phenol - N,N-dibutylbutan-1-amine (1:1)",CCCCN(CCCC)CCCC.Oc1ccccc1,CCCCN(CCCC)CCCC.Oc1ccccc1,"InChI=1/C12H27N.C6H6O/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-6-4-2-1-3-5-6/h4-12H2,1-3H3;1-5,7H",C12H27N.C6H6O,,,,,,IZGMMJFZIQHGNC-UHFFFAOYSA-N,,,,,,,,,,,
100.025.197,227-716-8,5953-49-1,1-methylpentyl acetate,1-methylpentyl acetate,CCCCC(C)OC(=O)C,CCCCC(C)OC(=O)C,"InChI=1/C8H16O2/c1-4-5-6-7(2)10-8(3)9/h7H,4-6H2,1-3H3",C8H16O2,,,,,,RXTNIJMLAQNTEG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.204,227-724-1,5959-35-3,4-aminobutyric acid hydrochloride,4-aminobutanoic acid hydrochloride,Cl.NCCCC(=O)O,Cl.NCCCC(=O)O,"InChI=1/C4H9NO2.ClH/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H",C4H9NO2.ClH,,,,,,QPGLUEKHBNOAHG-UHFFFAOYSA-N,,,,,,,,,,,
100.025.211,227-732-5,5960-99-6,"3,4,5,6-tetrahydro-2H-azepine-7-pentylamine","5-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pentan-1-amine",NCCCCCC1=NCCCCC1,NCCCCCC1=NCCCCC1,"InChI=1/C11H22N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h1-10,12H2",C11H22N2,,,,,,WKYSBZBUEASENO-UHFFFAOYSA-N,,,,,,,,,,,
100.025.216,227-737-2,5962-23-2,"6-propyl-1,3,5-triazine-2,4-diamine","6-propyl-1,3,5-triazine-2,4-diamine",CCCc1nc(N)nc(N)n1,CCCc1nc(N)nc(N)n1,"InChI=1/C6H11N5/c1-2-3-4-9-5(7)11-6(8)10-4/h2-3H2,1H3,(H4,7,8,9,10,11)",C6H11N5,,,,,,NGYGUYRBWLUDRP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.219,227-740-9,5964-09-0,Bis(2-cyanoethyl)phosphine oxide,"3,3'-(oxidophosphoranediyl)dipropanenitrile",O=P(CCC#N)CCC#N,O=P(CCC#N)CCC#N,"InChI=1/C6H9N2OP/c7-3-1-5-10(9)6-2-4-8/h10H,1-2,5-6H2",C6H9N2OP,,,,,,GIIKDPPVXLAAQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.145,245-276-5,22871-57-4,3-amino-5-[[(2-hydroxyethyl)amino]carbonyl]benzoic acid,3-amino-5-[(2-hydroxyethyl)carbamoyl]benzoic acid,Nc1cc(cc(c1)C(=O)NCCO)C(=O)O,Nc1cc(cc(c1)C(=O)NCCO)C(=O)O,"InChI=1/C10H12N2O4/c11-8-4-6(9(14)12-1-2-13)3-7(5-8)10(15)16/h3-5,13H,1-2,11H2,(H,12,14)(H,15,16)",C10H12N2O4,,,,,,RLCNQTMQGDYITJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.151,245-282-8,22876-20-6,6-chlorobenzoxazole-2(3H)-thione,"6-chloro-1,3-benzoxazole-2(3H)-thione",Clc1ccc2NC(=S)Oc2c1,Clc1ccc2NC(=S)Oc2c1,"InChI=1/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11)",C7H4ClNOS,,,,,,HAASPZUBSZGCKU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.155,245-287-5,22882-89-9,"(Z)1-ethoxy-3,7-dimethylocta-2,6-diene","1-ethoxy-3,7-dimethylocta-2,6-diene",CCOCC=C(C)CCC=C(C)C,CCOCC=C(C)CCC=C(C)C,"InChI=1/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3",C12H22O,,,,,,LOUIMJFJROISMD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.157,245-289-6,22882-95-7,"Isopropyl (9Z,12Z)-octadeca-9,12-dienoate","isopropyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OC(C)C,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(C)C,"InChI=1/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3",C21H38O2,,,,,,XEIOPEQGDSYOIH-MURFETPASA-N,,,,,,,,,,,
100.017.588,219-346-0,2420-98-6,Cadmium bis(2-ethylhexanoate),cadmium bis(2-ethylhexanoate),[Cd+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Cd+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Cd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Cd,,,,,,RXROCZREIWVERD-UHFFFAOYSA-L,,,,,,,,,,,
100.017.590,219-348-1,2421-28-5,"Benzophenone-3,3':4,4'-tetracarboxylic dianhydride","5,5'-carbonylbis(2-benzofuran-1,3-dione)",O=C(c1ccc2C(=O)OC(=O)c2c1)c3ccc4C(=O)OC(=O)c4c3,O=C(c1ccc2C(=O)OC(=O)c2c1)c3ccc4C(=O)OC(=O)c4c3,InChI=1/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H,C17H6O7,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12673,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.590,VQVIHDPBMFABCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.594,219-352-3,2423-66-7,Quindoxin,"quinoxaline 1,4-dioxide",[O-][n+]1cc[n+]([O-])c2ccccc12,[O-][n+]1cc[n+]([O-])c2ccccc12,InChI=1/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,C8H6N2O2,,,,,,CKIHZSGJPSDCNC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.595,219-353-9,2423-71-4,"4-nitro-2,6-xylenol","2,6-dimethyl-4-nitrophenol",Cc1cc(cc(C)c1O)N(=O)=O,Cc1cc(cc(C)c1O)N(=O)=O,"InChI=1/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3",C8H9NO3,,,,,,FNORUNUDZNWQFF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.598,219-357-0,2424-53-5,Aniline sulphate (1:1),-,Nc1ccccc1.[O-]S(=O)(=O)[O-],Nc1ccccc1.[O-]S(=O)(=O)[O-],"InChI=1/C6H7N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H2,1,2,3,4)/p-2",C6H7N.H2O4S,,,,,,NTOLGSSKLPLTDW-UHFFFAOYSA-L,,,,,,,,,,,
100.017.600,219-359-1,2424-59-1,Cyclohexyl hydrogen maleate,4-(cyclohexyloxy)-4-oxobut-2-enoic acid,OC(=O)\\C=C/C(=O)OC1CCCCC1,OC(=O)\C=C/C(=O)OC1CCCCC1,"InChI=1/C10H14O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)",C10H14O4,,,,,,ZMQWRASVUXJXGM-SREVYHEPSA-N,,,,,,,,,,,
100.017.601,219-360-7,2424-61-5,Dodecyl hydrogen maleate,4-(dodecyloxy)-4-oxobut-2-enoic acid,CCCCCCCCCCCCOC(=O)\\C=C/C(=O)O,CCCCCCCCCCCCOC(=O)\C=C/C(=O)O,"InChI=1/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h12-13H,2-11,14H2,1H3,(H,17,18)",C16H28O4,,,,,,IIPCXIGUIPAGQB-SEYXRHQNSA-N,,,,,,,,,,,
100.017.602,219-361-2,2424-62-6,Octadecyl hydrogen maleate,4-(octadecyloxy)-4-oxobut-2-enoic acid,CCCCCCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O,CCCCCCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O,"InChI=1/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h18-19H,2-17,20H2,1H3,(H,23,24)",C22H40O4,,,,,,MHQJUHSHQGQVTM-HNENSFHCSA-N,,,,,,,,,,,
100.017.606,219-365-4,2425-28-7,a-(bromomethyl)benzyl alcohol,2-bromo-1-phenylethanol,OC(CBr)c1ccccc1,OC(CBr)c1ccccc1,"InChI=1/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2",C8H9BrO,,,,,,DAHHEUQBMDBSLO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.607,219-367-5,2425-51-6,Sodium 9-octadecene-1-sulphonate,sodium octadec-9-ene-1-sulfonate,[Na+].O=S([O-])(=O)CCCCCCCCC=CCCCCCCCC,[Na+].O=S([O-])(=O)CCCCCCCCC=CCCCCCCCC,"InChI=1/C18H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1",C18H36O3S.Na,,,,,,HDRLZNWDSGYGBZ-UHFFFAOYSA-M,,,,,,,,,,,
100.017.614,219-374-3,2426-02-0,"3,4,5,6-tetrahydrophthalic anhydride","4,5,6,7-tetrahydro-2-benzofuran-1,3-dione",O=C1OC(=O)C2=C1CCCC2,O=C1OC(=O)C2=C1CCCC2,InChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2,C8H8O3,,,,,,HMMBJOWWRLZEMI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.616,219-376-4,6/08/2426,"Butyl 2,3-epoxypropyl ether",2-(butoxymethyl)oxirane,CCCCOCC1CO1,CCCCOCC1CO1,"InChI=1/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3",C7H14O2,,,,,,YSUQLAYJZDEMOT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.618,219-379-0,2426-87-1,4-benzyloxy-3-methoxybenzaldehyde,4-(benzyloxy)-3-methoxybenzaldehyde,COc1cc(C=O)ccc1OCc2ccccc2,COc1cc(C=O)ccc1OCc2ccccc2,"InChI=1/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3",C15H14O3,,,,,,JSHLOPGSDZTEGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.744,225-018-8,3/02/4611,"2-chloro-N,N-diethyl-10H-phenothiazine-10-propylamine monohydrochloride","3-(2-chloro-10H-phenothiazin-10-yl)-N,N-diethylpropan-1-amine",CCN(CC)CCCN1c2ccccc2Sc3ccc(Cl)cc13,CCN(CC)CCCN1c2ccccc2Sc3ccc(Cl)cc13,"InChI=1/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3",C19H23ClN2S.ClH,,,,,,DBOUGBAQLIXZLV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.748,225-023-5,4615-31-0,Zinc octadecyl phosphate,zinc octadecyl phosphate,[Zn+2].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[Zn+2].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C18H39O4P.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H2,19,20,21);/q;+2/p-2",C18H39O4P.Zn,,,,,,PORPEXMDRRVVNF-UHFFFAOYSA-L,,,,,,,,,,,
100.020.260,222-285-2,3404-72-6,"2,3-dimethylpent-1-ene","2,3-dimethylpent-1-ene",CCC(C)C(=C)C,CCC(C)C(=C)C,"InChI=1/C7H14/c1-5-7(4)6(2)3/h7H,2,5H2,1,3-4H3",C7H14,,,,,,LIMAEKMEXJTSNI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.262,222-287-3,3405-32-1,"1,2,3,4-tetrachlorobutane","1,2,3,4-tetrachlorobutane",ClCC(Cl)C(Cl)CCl,ClCC(Cl)C(Cl)CCl,"InChI=1/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2",C4H6Cl4,,,,,,IXZVKECRTHXEEW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.264,222-289-4,3405-77-4,5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylic acid,Cc1onc(c1)C(=O)O,Cc1onc(c1)C(=O)O,"InChI=1/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)",C5H5NO3,,,,,,BNMPIJWVMVNSRD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.271,222-297-8,3410-77-3,Tetraisocyanatosilane,tetraisocyanatosilane,O=C=N[Si](N=C=O)(N=C=O)N=C=O,O=C=N[Si](N=C=O)(N=C=O)N=C=O,"InChI=1/C4N4O4Si/c9-1-5-13(6-2-10,7-3-11)8-4-12",C4N4O4Si,,,,,,UVVUGWBBCDFNSD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.274,222-300-2,3412-76-8,"N,N'-dibenzylethylenediammonium dichloride","N,N'-dibenzylethane-1,2-diaminium dichloride",[Cl-].[Cl-].C(C[NH2+]Cc1ccccc1)[NH2+]Cc2ccccc2,[Cl-].[Cl-].C(C[NH2+]Cc1ccccc1)[NH2+]Cc2ccccc2,"InChI=1/C16H20N2.2ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14H2;2*1H",C16H20N2.2ClH,,,,,,NZBGFGGNLREHFL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.284,222-311-2,3416-24-8,Glucosamine,2-amino-2-deoxy-beta-D-glucopyranose,N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2",C6H13NO5,,,,,,MSWZFWKMSRAUBD-QZABAPFNSA-N,,,,,,,,,,,
100.020.288,222-315-4,3423-28-7,8-isopropyl-8-azabicyclo[3.2.1]octan-3-one,8-isopropyl-8-azabicyclo[3.2.1]octan-3-one,CC(C)N1C2CCC1CC(=O)C2,CC(C)N1C2CCC1CC(=O)C2,"InChI=1/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3",C10H17NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8201,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.288,AKETXTOLBLTPTP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.291,222-319-6,3424-93-9,4-methoxybenzamide,4-methoxybenzamide,COc1ccc(cc1)C(=O)N,COc1ccc(cc1)C(=O)N,"InChI=1/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)",C8H9NO2,,,,,,GUCPYIYFQVTFSI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.298,222-326-4,3426-43-5,"Disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].COc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(OC)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].COc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(OC)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C34H30N10O8S2.2Na/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;/q;2*+1/p-2",C34H30N10O8S2.2Na,,,,,,BDYOOAPDMVGPIQ-QDBORUFSSA-L,,,,,,,,,,,
100.020.299,222-328-5,3426-45-7,Tris[oxalato(2-)]dilutetium,[mu-ethanedioato(2-)-kappaO~1~:kappaO~2~][bis(ethanedioato-kappaO~1~)]dilutetium(2+),OC(=O)C(=O)O[Lu]OC(=O)C(=O)O[Lu]OC(=O)C(=O)O,OC(=O)C(=O)O[Lu]OC(=O)C(=O)O[Lu]OC(=O)C(=O)O,"InChI=1/3C2H2O4.2Lu/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-4/rC6H2Lu2O12/c9-1(10)3(13)17-7-19-5(15)6(16)20-8-18-4(14)2(11)12/h(H,9,10)(H,11,12)/q+2",C6Lu2O12,,,,,,LSBHORXFYZESLH-UHFFFAOYSA-J,,,,,,,,,,,
100.018.344,220-178-5,2653-72-7,4-(1-naphthylazo)-1-naphthol,4-(1-naphthyldiazenyl)-1-naphthol,Oc4ccc(N=Nc2cccc1ccccc12)c3ccccc34,Oc4ccc(N=Nc2cccc1ccccc12)c3ccccc34,"InChI=1/C20H14N2O/c23-20-13-12-19(16-9-3-4-10-17(16)20)22-21-18-11-5-7-14-6-1-2-8-15(14)18/h1-13,23H",C20H14N2O,,,,,,NSWKKBKROCMOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.349,220-183-2,2655-27-8,N-pentylaniline,N-pentylaniline,CCCCCNc1ccccc1,CCCCCNc1ccccc1,"InChI=1/C11H17N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3",C11H17N,,,,,,UMNSMBWAESLVOC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.356,220-191-6,2658-24-4,"2,2-dimethylaziridine","2,2-dimethylaziridine",CC1(C)CN1,CC1(C)CN1,"InChI=1/C4H9N/c1-4(2)3-5-4/h5H,3H2,1-2H3",C4H9N,,,,,,FGRJGEWVJCCOJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.658,242-541-7,18731-58-3,o-tolyl cyclohexanecarboxylate,2-methylphenyl cyclohexanecarboxylate,Cc1ccccc1OC(=O)C2CCCCC2,Cc1ccccc1OC(=O)C2CCCCC2,"InChI=1/C14H18O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3",C14H18O2,,,,,,UTBUSXPYYDGYGA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.659,242-542-2,18731-59-4,3-methylphenyl cyclohexanecarboxylate,3-methylphenyl cyclohexanecarboxylate,Cc1cccc(OC(=O)C2CCCCC2)c1,Cc1cccc(OC(=O)C2CCCCC2)c1,"InChI=1/C14H18O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3",C14H18O2,,,,,,WSOGYYKXYMIDJU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.661,242-544-3,18733-39-6,"3,3'-thiodipropionyl dichloride","3,3'-sulfanediyldipropanoyl chloride",ClC(=O)CCSCCC(=O)Cl,ClC(=O)CCSCCC(=O)Cl,InChI=1/C6H8Cl2O2S/c7-5(9)1-3-11-4-2-6(8)10/h1-4H2,C6H8Cl2O2S,,,,,,AFTXVIIXNFSATO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.667,242-551-1,18742-02-4,"2-(2-bromoethyl)-1,3-dioxolane","2-(2-bromoethyl)-1,3-dioxolane",BrCCC1OCCO1,BrCCC1OCCO1,"InChI=1/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2",C5H9BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16521,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.667,GGZQLTVZPOGLCC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.674,242-559-5,18765-09-8,Trioctylsilane,trioctylsilane,CCCCCCCC[SiH](CCCCCCCC)CCCCCCCC,CCCCCCCC[SiH](CCCCCCCC)CCCCCCCC,"InChI=1/C24H52Si/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h25H,4-24H2,1-3H3",C24H52Si,,,,,,JBAALNCKQCMFDH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.676,242-561-6,18770-47-3,Antimony(3+) tripropan-2-olate,antimony(3+) tripropan-2-olate,[SbH3+3].CC(C)[O-].CC(C)[O-].CC(C)[O-],[SbH3+3].CC(C)[O-].CC(C)[O-].CC(C)[O-],"InChI=1/3C3H7O.Sb.3H/c3*1-3(2)4;;;;/h3*3H,1-2H3;;;;/q3*-1;+3;;;/r3C3H7O.H3Sb/c3*1-3(2)4;/h3*3H,1-2H3;1H3/q3*-1;+3",C3H8O.1/3Sb,,,,,,JTTKGGYPHWBQCO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.687,242-573-1,18790-57-3,"1,4-dimethoxy-2-(2-nitropropenyl)benzene","1,4-dimethoxy-2-(2-nitroprop-1-en-1-yl)benzene",COc1ccc(cc1C=C(C)[N+]([O-])=O)OC,COc1ccc(cc1C=C(C)[N+]([O-])=O)OC,"InChI=1/C11H13NO4/c1-8(12(13)14)6-9-7-10(15-2)4-5-11(9)16-3/h4-7H,1-3H3",C11H13NO4,,,,,,MQFREHNTGKNSRH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.688,242-574-7,18791-01-0,"1-amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-amino-2-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C20H15N3O8S2/c21-9-5-6-12(14(7-9)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)",C20H15N3O8S2,,,,,,TUYZCJKTGCNVOA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.689,242-575-2,18791-02-1,"2,3-dibromopropionyl chloride","2,3-dibromopropanoyl chloride",ClC(=O)C(Br)CBr,ClC(=O)C(Br)CBr,"InChI=1/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2",C3H3Br2ClO,,,,,,HWKWYDXHMQQDQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.166,245-299-0,22887-42-9,"(11ß)-11,17-dihydroxy-16-methylene-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylaminoacetate hydrochloride","11,17-dihydroxy-16-methylene-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylglycinate hydrochloride",Cl.CCN(CC)CC(=O)OCC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,Cl.CCN(CC)CC(=O)OCC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C28H39NO6.ClH/c1-6-29(7-2)15-24(33)35-16-23(32)28(34)17(3)12-21-20-9-8-18-13-19(30)10-11-26(18,4)25(20)22(31)14-27(21,28)5;/h10-11,13,20-22,25,31,34H,3,6-9,12,14-16H2,1-2,4-5H3;1H",C28H39NO6.ClH,,,,,,CCXTYBZGIOXYJL-DYBIKGQXSA-N,,,,,,,,,,,
100.041.170,245-304-6,22889-78-7,"3,5-dichloropyridin-4-amine","3,5-dichloropyridin-4-amine",Nc1c(Cl)cncc1Cl,Nc1c(Cl)cncc1Cl,"InChI=1/C5H4Cl2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)",C5H4Cl2N2,,,,,,ISIQAMHROGZHOV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.173,245-307-2,22890-14-8,N-[3-(dimethylamino)propyl]dodecanamide monoacetate,N-[3-(dimethylamino)propyl]dodecanamide acetate,CCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O,CCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O,"InChI=1/C17H36N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3;1-2(3)4/h4-16H2,1-3H3,(H,18,20);1H3,(H,3,4)",C17H36N2O.C2H4O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7814,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.173,ITEOMQZUDMOKMS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.181,245-316-1,22907-04-6,"3,5-dimethyl-1H-pyrazole-1-carboxamidine nitrate","3,5-dimethyl-1H-pyrazole-1-carboximidamide nitrate",Cc1cc(C)n(n1)C(=N)N.O[N+](=O)[O-],Cc1cc(C)n(n1)C(=N)N.O[N+](=O)[O-],"InChI=1/C6H10N4.HNO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);(H,2,3,4)",C6H10N4.xHNO3,,,,,,AGYXIUAGBLMBGV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.191,245-327-1,22919-56-8,"Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","octanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C8H16O2.C6H15NO3/c1-2-3-4-5-6-7-8(9)10;8-4-1-7(2-5-9)3-6-10/h2-7H2,1H3,(H,9,10);8-10H,1-6H2",C8H16O2.C6H15NO3,,,,,,FMBWBTOMBLRYPD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.196,245-332-9,22923-72-4,Sodium 3-chlorobut-2-ene-1-sulphonate,sodium 3-chlorobut-2-ene-1-sulfonate,[Na+].CC(Cl)=CCS([O-])(=O)=O,[Na+].CC(Cl)=CCS([O-])(=O)=O,"InChI=1/C4H7ClO3S.Na/c1-4(5)2-3-9(6,7)8;/h2H,3H2,1H3,(H,6,7,8);/q;+1/p-1",C4H7ClO3S.Na,,,,,,YSJZWXFVNXMVCR-UHFFFAOYSA-M,,,,,,,,,,,
100.025.221,227-743-5,5964-35-2,Tetrapotassium ethylenediaminetetraacetate,"tetrapotassium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[K+].[K+].[K+].[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[K+].[K+].[K+].[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.4K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/p-4",C10H16N2O8.4K,,,,,,JZBRFIUYUGTUGG-UHFFFAOYSA-J,,,,,,,,,,,
100.025.223,227-745-6,5964-56-7,"Isopentyl(1,5-dimethylhexyl)ammonium chloride",6-methyl-N-(3-methylbutyl)heptan-2-aminium chloride,[Cl-].CC(C)CCCC(C)[NH2+]CCC(C)C,[Cl-].CC(C)CCCC(C)[NH2+]CCC(C)C,"InChI=1/C13H29N.ClH/c1-11(2)7-6-8-13(5)14-10-9-12(3)4;/h11-14H,6-10H2,1-5H3;1H",C13H29N.ClH,,,,,,LOUVMIYRBQFBQN-UHFFFAOYSA-N,,,,,,,,,,,
100.025.228,227-750-3,5965-53-7,Diethyl 2-oxoglutarate,diethyl 2-oxopentanedioate,CCOC(=O)CCC(=O)C(=O)OCC,CCOC(=O)CCC(=O)C(=O)OCC,"InChI=1/C9H14O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h3-6H2,1-2H3",C9H14O5,,,,,,NGRAIMFUWGFAEM-UHFFFAOYSA-N,,,,,,,,,,,
100.025.229,227-751-9,5965-66-2,4-O-ß-D-galactopyranosyl-ß-D-glucopyranose,4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2",C12H22O11,,,,,,GUBGYTABKSRVRQ-DCSYEGIMSA-N,,,,,,,,,,,
100.025.230,227-752-4,5966-41-6,Diisopromine,"N,N-diisopropyl-3,3-diphenylpropan-1-amine",CC(C)N(CCC(c1ccccc1)c2ccccc2)C(C)C,CC(C)N(CCC(c1ccccc1)c2ccccc2)C(C)C,"InChI=1/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3",C21H29N,,,,,,YBJKOPHEJOMRMN-UHFFFAOYSA-N,,,,,,,,,,,
100.024.818,227-299-2,5774-69-6,Diethyl (benzyloxy)methylmalonate,diethyl (benzyloxy)(methyl)malonate,CCOC(=O)C(C)(OCc1ccccc1)C(=O)OCC,CCOC(=O)C(C)(OCc1ccccc1)C(=O)OCC,"InChI=1/C15H20O5/c1-4-18-13(16)15(3,14(17)19-5-2)20-11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3",C15H20O5,,,,,,AYFIAOGBVMPSAE-UHFFFAOYSA-N,,,,,,,,,,,
100.024.825,227-306-9,2/02/5781,5-tert-butyl-o-cresol,5-tert-butyl-2-methylphenol,Cc1ccc(cc1O)C(C)(C)C,Cc1ccc(cc1O)C(C)(C)C,"InChI=1/C11H16O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7,12H,1-4H3",C11H16O,,,,,,FLSBACIXSFRPLT-UHFFFAOYSA-N,,,,,,,,,,,
100.024.831,227-313-7,5786-21-0,Clozapine,"8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine",CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24,CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24,"InChI=1/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3",C18H19ClN4,,,,,,QZUDBNBUXVUHMW-UHFFFAOYSA-N,Positive,EA284101|EA284102|EA284103|EA284104|EA284105|EA284106|EA284107|EA284108|EA284109|EA284110|EA284111|EA284112|EA284113|EA284114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,270.0796:296.0953:244.0634|327.1375:192.0679|327.1376:270.0793:84.0809|270.0793:296.0949:84.0808|270.0792:192.0682:227.037|192.0685:270.0792:227.0372|192.0683:226.0292:227.0369|327.1377:192.0691:270.0799|327.1375:270.0794:84.0808|270.0796:84.0809:296.095|270.0795:192.0683:227.0372|192.0683:270.0791:227.037|192.0684:226.0293:227.0371|270.0794:296.0949:244.0635,Eawag,,,,,
100.024.835,227-317-9,5786-97-0,Brucine nitrate,"2,3-dimethoxystrychnidin-10-one nitrate",COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2cc1OC.O[N+](=O)[O-],COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2cc1OC.O[N+](=O)[O-],"InChI=1/C23H26N2O4.HNO3/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;2-1(3)4/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H,2,3,4)",C23H26N2O4.HNO3,,,,,,FAUPZRZWQZAAOB-SUJBTXFYSA-N,,,,,,,,,,,
100.024.837,227-320-5,5788-09-0,"(±)-p,a-dimethylbenzyl alcohol",1-(4-methylphenyl)ethanol,CC(O)c1ccc(C)cc1,CC(O)c1ccc(C)cc1,"InChI=1/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3",C9H12O,,,,,,JESIHYIJKKUWIS-UHFFFAOYSA-N,,,,,,,,,,,
100.024.842,227-325-2,5789-77-5,tert-butyl phenoxyperoxyacetate,tert-butyl (phenyltrioxidanyl)acetate,CC(C)(C)OC(=O)COOOc1ccccc1,CC(C)(C)OC(=O)COOOc1ccccc1,"InChI=1/C12H16O5/c1-12(2,3)15-11(13)9-14-17-16-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3",C12H16O4,,,,,,IFBOEHZIJLSXLY-UHFFFAOYSA-N,,,,,,,,,,,
100.024.843,227-326-8,9/05/5791,5-chloro-2-oxobenzoxazoline-6-sulphonyl chloride,"5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride",Clc1cc2NC(=O)Oc2cc1S(=O)(=O)Cl,Clc1cc2NC(=O)Oc2cc1S(=O)(=O)Cl,"InChI=1/C7H3Cl2NO4S/c8-3-1-4-5(14-7(11)10-4)2-6(3)15(9,12)13/h1-2H,(H,10,11)",C7H3Cl2NO4S,,,,,,BILROERYVIUOEP-UHFFFAOYSA-N,,,,,,,,,,,
100.024.844,227-327-3,5791-18-4,"5-chloro-2,3-dihydro-2-oxobenzoxazole-6-sulphonamide","5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide",NS(=O)(=O)c1cc2OC(=O)Nc2cc1Cl,NS(=O)(=O)c1cc2OC(=O)Nc2cc1Cl,"InChI=1/C7H5ClN2O4S/c8-3-1-4-5(14-7(11)10-4)2-6(3)15(9,12)13/h1-2H,(H,10,11)(H2,9,12,13)",C7H5ClN2O4S,,,,,,WWLSMOPMWRIXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.024.850,227-334-1,5793-88-4,Calcium saccharate,"calcium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Ca+2].O[C@@H]([C@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O,[Ca+2].O[C@@H]([C@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O,"InChI=1/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2",C6H10O8.Ca,,,,,,UGZVNIRNPPEDHM-SBBOJQDXSA-L,,,,,,,,,,,
100.024.856,227-340-4,5795-98-2,Sodium dithiosalicylate,sodium dithiosalicylate,[Na+].[Na+].Oc1ccccc1C(=O)[S-].Oc2ccccc2C(=O)[S-],[Na+].[Na+].Oc1ccccc1C(=O)[S-].Oc2ccccc2C(=O)[S-],"InChI=1/2C7H6O2S.2Na/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+1/p-2",C7H6OS2.Na,,,,,,MGPRDLQUDBOTQT-UHFFFAOYSA-L,,,,,,,,,,,
100.017.621,219-382-7,2429-71-2,"Disodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis(4-hydroxynaphthalene-1-sulphonate)","disodium 3,3'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-hydroxynaphthalene-1-sulfonate)",[Na+].[Na+].COc3cc(ccc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].COc3cc(ccc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H26N4O10S2.2Na/c1-47-29-15-19(11-13-25(29)35-37-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)39)20-12-14-26(30(16-20)48-2)36-38-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)40;;/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H26N4O10S2.2Na,,,,,,ACPKAJPNUOBWGE-UHFFFAOYSA-L,,,,,,,,,,,
100.019.130,221-042-8,2983-36-0,Ethyl 2-benzylbutyrate,ethyl 2-benzylbutanoate,CCOC(=O)C(CC)Cc1ccccc1,CCOC(=O)C(CC)Cc1ccccc1,"InChI=1/C13H18O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3",C13H18O2,,,,,,QDCUBAFTOOPBFR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.133,221-045-4,2984-32-9,"3-[(2-hydroxydodecyl)oxy]propane-1,2-diol","3-[(2-hydroxydodecyl)oxy]propane-1,2-diol",CCCCCCCCCCC(O)COCC(O)CO,CCCCCCCCCCC(O)COCC(O)CO,"InChI=1/C15H32O4/c1-2-3-4-5-6-7-8-9-10-14(17)12-19-13-15(18)11-16/h14-18H,2-13H2,1H3",C15H32O4,,,,,,MDKHJHZILQCOTC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.639,223-802-4,4079-52-1,a-methoxyacetophenone,2-methoxy-1-phenylethanone,COCC(=O)c1ccccc1,COCC(=O)c1ccccc1,"InChI=1/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3",C9H10O2,,,,,,YRNDGUSDBCARGC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.641,223-805-0,4080-31-3,Methenamine 3-chloroallylochloride,"1-(3-chloroprop-2-en-1-yl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride",[Cl-].Cl\\C=C\\C[N+]12CN3CN(CN(C3)C1)C2,[Cl-].Cl\C=C\C[N+]12CN3CN(CN(C3)C1)C2,"InChI=1/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1",C9H16ClN4.Cl,,,,,,UKHVLWKBNNSRRR-TYYBGVCCSA-M,,,,,,,,,,,
100.021.650,223-815-5,9/05/4086,Disodium 5-chloro-2-[4-chloro-1-(sulphonatooxy)-2-naphthyl]-7-methoxy-4-methyl-1H-indol-3-yl sulphate,disodium 4-chloro-2-[5-chloro-7-methoxy-4-methyl-3-(sulfonatooxy)-1H-indol-2-yl]-1-naphthyl sulfate,[Na+].[Na+].COc1cc(Cl)c(C)c2c(OS(=O)(=O)[O-])c([nH]c12)c3cc(Cl)c4ccccc4c3OS(=O)(=O)[O-],[Na+].[Na+].COc1cc(Cl)c(C)c2c(OS(=O)(=O)[O-])c([nH]c12)c3cc(Cl)c4ccccc4c3OS(=O)(=O)[O-],"InChI=1/C20H15Cl2NO9S2.2Na/c1-9-13(21)8-15(30-2)18-16(9)20(32-34(27,28)29)17(23-18)12-7-14(22)10-5-3-4-6-11(10)19(12)31-33(24,25)26;;/h3-8,23H,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H15Cl2NO9S2.2Na,,,,,,KIJRNJKWJKPKAT-UHFFFAOYSA-L,,,,,,,,,,,
100.021.651,223-816-0,4086-51-5,"5-butylpyrimidine-2,4,6-triamine","5-butylpyrimidine-2,4,6-triamine",CCCCc1c(N)nc(N)nc1N,CCCCc1c(N)nc(N)nc1N,"InChI=1/C8H15N5/c1-2-3-4-5-6(9)12-8(11)13-7(5)10/h2-4H2,1H3,(H6,9,10,11,12,13)",C8H15N5,,,,,,WEKKOIATWTXXBP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.654,223-819-7,4088-22-6,N-methyldioctadecylamine,N-methyl-N-octadecyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC,"InChI=1/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3",C37H77N,,,,,,VFLWKHBYVIUAMP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.658,223-823-9,4089-57-0,"2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(fluorosulphonyl)ethoxy]propionyl fluoride","2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(fluorosulfonyl)ethoxy]propanoyl fluoride",FC(=O)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F,FC(=O)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F,"InChI=1/C5F10O4S/c6-1(16)2(7,3(8,9)10)19-4(11,12)5(13,14)20(15,17)18",C5F10O4S,,,,,,JJMSFRPBSYTEIN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.660,223-826-5,4089-61-6,"Ammonium 2-[2-[2-(aminosulphonyl)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoropropoxy]-2,3,3,3-tetrafluoropropionate","ammonium 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-sulfamoylethoxy)propoxy]propanoate",[NH4+].NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)[O-])C(F)(F)F,[NH4+].NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)[O-])C(F)(F)F,"InChI=1/C8H3F14NO6S.H3N/c9-2(1(24)25,4(11,12)13)28-6(17,18)3(10,5(14,15)16)29-7(19,20)8(21,22)30(23,26)27;/h(H,24,25)(H2,23,26,27);1H3",C8H3F14NO6S.H3N,,,,,,YXDMXTCECAQLHS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.670,223-837-5,4092-04-0,Disodium 4-allyl 2-sulphonatosuccinate,disodium 4-(allyloxy)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].[O-]C(=O)C(CC(=O)OCC=C)S(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)C(CC(=O)OCC=C)S(=O)(=O)[O-],"InChI=1/C7H10O7S.2Na/c1-2-3-14-6(8)4-5(7(9)10)15(11,12)13;;/h2,5H,1,3-4H2,(H,9,10)(H,11,12,13);;/q;2*+1/p-2",C7H10O7S.2Na,,,,,,LLLFMBFVDFXLKC-UHFFFAOYSA-L,,,,,,,,,,,
100.021.672,223-839-6,4093-29-2,Methyl 4-(acetylamino)-o-anisate,methyl 4-acetamido-2-methoxybenzoate,COC(=O)c1ccc(NC(=O)C)cc1OC,COC(=O)c1ccc(NC(=O)C)cc1OC,"InChI=1/C11H13NO4/c1-7(13)12-8-4-5-9(11(14)16-3)10(6-8)15-2/h4-6H,1-3H3,(H,12,13)",C11H13NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18302,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.672,OERVVBDWGVOBIS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.676,223-843-8,4093-36-1,4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide dihydrochloride,4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide dihydrochloride,Cl.Cl.CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,Cl.Cl.CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,"InChI=1/C14H22BrN3O2.2ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*1H",C14H22BrN3O2.2ClH,,,,,,SKHOWCACHDSDPF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.358,220-193-7,2664-42-8,"(Z)-N,N-dimethyl-9-octadecenamide","N,N-dimethyloctadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)C,"InChI=1/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3",C20H39NO,,,,,,GAXDEROCNMZYCS-QXMHVHEDSA-N,,,,,,,,,,,
100.018.359,220-194-2,2664-55-3,Nonyl acrylate,nonyl acrylate,CCCCCCCCCOC(=O)C=C,CCCCCCCCCOC(=O)C=C,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h4H,2-3,5-11H2,1H3",C12H22O2,,,,,,MDYPDLBFDATSCF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.361,220-196-3,2664-61-1,"3,3',3''-nitrilotrispropionamide","3,3',3''-nitrilotripropanamide (non-preferred name)",NC(=O)CCN(CCC(=O)N)CCC(=O)N,NC(=O)CCN(CCC(=O)N)CCC(=O)N,"InChI=1/C9H18N4O3/c10-7(14)1-4-13(5-2-8(11)15)6-3-9(12)16/h1-6H2,(H2,10,14)(H2,11,15)(H2,12,16)",C9H18N4O3,,,,,,RERXJGPPGMABOY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.363,220-198-4,2665-13-6,"2,2'-[(1-methylpropane-1,3-diyl)bis(oxy)]bis[4-methyl-1,3,2-dioxaborinane]","2,2'-[butane-1,3-diylbis(oxy)]bis(4-methyl-1,3,2-dioxaborinane)",CC(CCOB1OCCC(C)O1)OB2OCCC(C)O2,CC(CCOB1OCCC(C)O1)OB2OCCC(C)O2,"InChI=1/C12H24B2O6/c1-10-4-7-15-13(18-10)16-8-5-11(2)19-14-17-9-6-12(3)20-14/h10-12H,4-9H2,1-3H3",C12H24B2O6,,,,,,RCIYLEACODIIKU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.366,220-202-4,2666-70-8,"(2,4-dichlorophenyl)imidocarbonyl dichloride","(2,4-dichlorophenyl)carbonimidic dichloride",ClC(=Nc1ccc(Cl)cc1Cl)Cl,ClC(=Nc1ccc(Cl)cc1Cl)Cl,InChI=1/C7H3Cl4N/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3H,C7H3Cl4N,,,,,,DXSAVHVNRZIEGB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.367,220-204-5,2666-76-4,Sodium 4-nitro-m-cresolate,sodium 3-methyl-4-nitrophenolate,Cc1cc(O[Na])ccc1N(=O)=O,Cc1cc(O[Na])ccc1N(=O)=O,"InChI=1/C7H7NO3.Na/c1-5-4-6(9)2-3-7(5)8(10)11;/h2-4,9H,1H3;/q;+1/p-1",C7H7NO3.Na,,,,,,DEQWBYKBSRNLCS-UHFFFAOYSA-M,,,,,,,,,,,
100.018.368,220-205-0,2666-93-5,Methyl L-leucinate,methyl L-leucinate,COC(=O)[C@@H](N)CC(C)C,COC(=O)[C@@H](N)CC(C)C,"InChI=1/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3",C7H15NO2,,,,,,QVDXUKJJGUSGLS-LURJTMIESA-N,,,,,,,,,,,
100.018.369,220-206-6,2667-89-2,Bisbentiamine,"disulfanediylbis-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}pent-2-ene-3,5-diyl dibenzoate",Nc4nc(C)ncc4CN(C=O)C(C)=C(CCOC(=O)c1ccccc1)SSC(CCOC(=O)c2ccccc2)=C(C)N(C=O)Cc3cnc(C)nc3N,Nc4nc(C)ncc4CN(C=O)C(C)=C(CCOC(=O)c1ccccc1)SSC(CCOC(=O)c2ccccc2)=C(C)N(C=O)Cc3cnc(C)nc3N,"InChI=1/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)",C38H42N8O6S2,,,,,,IWXAZSAGYJHXPX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.373,220-210-8,2669-72-9,"1,3-bis(methoxymethyl)imidazolidin-2-one","1,3-bis(methoxymethyl)imidazolidin-2-one",COCN1CCN(COC)C1=O,COCN1CCN(COC)C1=O,"InChI=1/C7H14N2O3/c1-11-5-8-3-4-9(6-12-2)7(8)10/h3-6H2,1-2H3",C7H14N2O3,,,,,,CNZVQCYTFMIBMO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.885,221-873-6,6/02/3264,N-(benzothiazol-2-ylthio)-N-cyclohexylbenzothiazole-2-sulphenamide,"N,N-bis(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine",C1CCC(CC1)N(Sc2nc3ccccc3s2)Sc4nc5ccccc5s4,C1CCC(CC1)N(Sc2nc3ccccc3s2)Sc4nc5ccccc5s4,"InChI=1/C20H19N3S4/c1-2-8-14(9-3-1)23(26-19-21-15-10-4-6-12-17(15)24-19)27-20-22-16-11-5-7-13-18(16)25-20/h4-7,10-14H,1-3,8-9H2",C20H19N3S4,,,,,,WLYQQMMSTRZVRV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.350,219-084-7,2351-33-9,"1,1-dichlorosilacyclobutane","1,1-dichlorosiletane",Cl[Si]1(Cl)CCC1,Cl[Si]1(Cl)CCC1,InChI=1/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2,C3H6Cl2Si,,,,,,PASYEMKYRSIVTP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.353,219-087-3,2351-90-8,Ethyl oct-2-enoate,ethyl oct-2-enoate,CCOC(=O)C=CCCCCC,CCOC(=O)C=CCCCCC,"InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3",C10H18O2,,,,,,AISZSTYLOVXFII-UHFFFAOYSA-N,,,,,,,,,,,
100.017.356,219-091-5,2353-45-9,"Dihydrogen (ethyl)[4-[4-[ethyl(3-sulphonatobenzyl)amino](4-hydroxy-2-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, disodium salt","disodium 2-({4-[ethyl(3-sulfonatobenzyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl)-5-hydroxybenzenesulfonate",[Na+].[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(O)cc5S(=O)(=O)[O-],[Na+].[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(O)cc5S(=O)(=O)[O-],"InChI=1/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2",C37H36N2O10S3.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17622,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.356,RZSYLLSAWYUBPE-UHFFFAOYSA-L,,,,,,,,,,,
100.017.368,219-103-9,2359-46-8,"2-ethoxy-N4,N4-diethyl-p-phenylenediamine","2-ethoxy-N~4~,N~4~-diethylbenzene-1,4-diamine",CCOc1cc(ccc1N)N(CC)CC,CCOc1cc(ccc1N)N(CC)CC,"InChI=1/C12H20N2O/c1-4-14(5-2)10-7-8-11(13)12(9-10)15-6-3/h7-9H,4-6,13H2,1-3H3",C12H20N2O,,,,,,PYBSFPTVHNWRRC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.370,219-106-5,2360-45-4,2-(1-oxopropyl)benzoic acid,2-propionylbenzoic acid,CCC(=O)c1ccccc1C(=O)O,CCC(=O)c1ccccc1C(=O)O,"InChI=1/C10H10O3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3,(H,12,13)",C10H10O3,,,,,,JYBOOAWVGOYQFU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.199,245-336-0,22932-84-9,N-(4-butyl-3-hydroxyphenyl)acetamide,N-(4-butyl-3-hydroxyphenyl)acetamide,CCCCc1ccc(NC(=O)C)cc1O,CCCCc1ccc(NC(=O)C)cc1O,"InChI=1/C12H17NO2/c1-3-4-5-10-6-7-11(8-12(10)15)13-9(2)14/h6-8,15H,3-5H2,1-2H3,(H,13,14)",C12H17NO2,,,,,,IPWMGFCGVAEIHP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.200,245-337-6,22936-75-0,Dimethametryn,"N-(1,2-dimethylpropyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CCNc1nc(NC(C)C(C)C)nc(SC)n1,CCNc1nc(NC(C)C(C)C)nc(SC)n1,"InChI=1/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)",C11H21N5S,,,,,,IKYICRRUVNIHPP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.201,245-338-1,22936-86-3,"6-chloro-N-cyclopropyl-N'-isopropyl-1,3,5-triazine-2,4-diamine","6-chloro-N-cyclopropyl-N'-isopropyl-1,3,5-triazine-2,4-diamine",CC(C)Nc1nc(Cl)nc(NC2CC2)n1,CC(C)Nc1nc(Cl)nc(NC2CC2)n1,"InChI=1/C9H14ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)",C9H14ClN5,,,,,,OOHIAOSLOGDBCE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.202,245-339-7,22939-93-1,4-methoxy-3-nitrobenzenesulphonamide,4-methoxy-3-nitrobenzenesulfonamide,COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N,COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N,"InChI=1/C7H8N2O5S/c1-14-7-3-2-5(15(8,12)13)4-6(7)9(10)11/h2-4H,1H3,(H2,8,12,13)",C7H8N2O5S,,,,,,JESBYSXPKUMFRV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.210,245-348-6,22950-29-4,Dimetofrine,"4-[1-hydroxy-2-(methylamino)ethyl]-2,6-dimethoxyphenol",CNCC(O)c1cc(OC)c(O)c(OC)c1,CNCC(O)c1cc(OC)c(O)c(OC)c1,"InChI=1/C11H17NO4/c1-12-6-8(13)7-4-9(15-2)11(14)10(5-7)16-3/h4-5,8,12-14H,6H2,1-3H3",C11H17NO4,,,,,,ZKGDBJAHIIXDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.136,221-049-6,2985-59-3,4-dodecyloxy-2-hydroxybenzophenone,[4-(dodecyloxy)-2-hydroxyphenyl](phenyl)methanone,CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3",C25H34O3,,,,,,ARVUDIQYNJVQIW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.141,221-054-3,2987-16-8,"3,3-dimethylbutyraldehyde","3,3-dimethylbutanal",CC(C)(C)CC=O,CC(C)(C)CC=O,"InChI=1/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3",C6H12O,,,,,,LTNUSYNQZJZUSY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.142,221-055-9,2987-53-3,2-(methylthio)aniline,2-(methylsulfanyl)aniline,CSc1ccccc1N,CSc1ccccc1N,"InChI=1/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3",C7H9NS,,,,,,WBRPQQSADOCKCH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.148,221-062-7,2991-51-7,Potassium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate,potassium {ethyl[(heptadecafluorooctyl)sulfonyl]amino}acetate,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H8F17NO4S.K/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;/h2-3H2,1H3,(H,31,32);/q;+1/p-1",C12H8F17NO4S.K,,,,,,OSIVISXRDMXJQR-UHFFFAOYSA-M,,,,,,,,,,,
100.019.151,221-065-3,2994-71-0,"1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane","1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane",FC(F)(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F,FC(F)(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F,"InChI=1/C6F12/c7-1(5(13,14)15)2(8,6(16,17)18)4(11,12)3(1,9)10",C6F12,,,,,,RBTROQHBNLSUTL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.157,221-072-1,5/08/2998,sec-butyl acrylate,sec-butyl acrylate,CCC(C)OC(=O)C=C,CCC(C)OC(=O)C=C,"InChI=1/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3",C7H12O2,,,,,,RNOOHTVUSNIPCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.161,221-076-3,2998-57-4,Estramustine,"17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate",ClCCN(CCCl)C(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3,ClCCN(CCCl)C(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3,"InChI=1/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3",C23H31Cl2NO3,,,,,,FRPJXPJMRWBBIH-RBRWEJTLSA-N,,,,,,,,,,,
100.019.168,221-084-7,3001-64-7,2-mercaptopropanol,2-sulfanylpropan-1-ol,CC(S)CO,CC(S)CO,"InChI=1/C3H8OS/c1-3(5)2-4/h3-5H,2H2,1H3",C3H8OS,,,,,,QNNVICQPXUUBSN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.170,221-086-8,3001-66-9,Octane-2-thiol,octane-2-thiol,CCCCCCC(C)S,CCCCCCC(C)S,"InChI=1/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",C8H18S,,,,,,BZXFEMZFRLXGCY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.173,221-089-4,3002-18-4,"2,2',2''-nitrilotrisethyl triacetate","nitrilotriethane-2,1-diyl triacetate",CC(=O)OCCN(CCOC(=O)C)CCOC(=O)C,CC(=O)OCCN(CCOC(=O)C)CCOC(=O)C,"InChI=1/C12H21NO6/c1-10(14)17-7-4-13(5-8-18-11(2)15)6-9-19-12(3)16/h4-9H2,1-3H3",C12H21NO6,,,,,,DJYQGDNOPVHONN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.181,221-098-3,3002-63-9,Aluminium 2-ethylhexanoate,aluminum tris(2-ethylhexanoate),[Al+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Al+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Al/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Al,,,,,,SHUVPCZKRKOKMU-UHFFFAOYSA-K,,,,,,,,,,,
100.024.864,227-349-3,5798-98-1,"Salicylic acid, bismuth salt",-,[BiH3+3].Oc1ccccc1C(=O)[O-],[BiH3+3].Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.Bi.3H/c8-6-4-2-1-3-5(6)7(9)10;;;;/h1-4,8H,(H,9,10);;;;/q;+3;;;/p-1/rC7H6O3.BiH3/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3/q;+3/p-1",C7H6O3.xBi,,,,,,HMCCEPFNULSJDL-UHFFFAOYSA-M,,,,,,,,,,,
100.039.188,243-123-7,19520-38-8,"3-methyl-6-phenylhexa-3,5-dien-2-one","3-methyl-6-phenylhexa-3,5-dien-2-one",CC(=O)C(C)=CC=Cc1ccccc1,CC(=O)C(C)=CC=Cc1ccccc1,"InChI=1/C13H14O/c1-11(12(2)14)7-6-10-13-8-4-3-5-9-13/h3-10H,1-2H3",C13H14O,,,,,,CGIJXXFGNLODHX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.189,243-124-2,19520-88-8,2-[bis(phenylmethyl)amino]ethyl acetate,2-(dibenzylamino)ethyl acetate,CC(=O)OCCN(Cc1ccccc1)Cc2ccccc2,CC(=O)OCCN(Cc1ccccc1)Cc2ccccc2,"InChI=1/C18H21NO2/c1-16(20)21-13-12-19(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3",C18H21NO2,,,,,,DLWLNSLEQLBPMD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.190,243-125-8,19522-67-9,N-isopropylethylenediamine,"N-isopropylethane-1,2-diamine",CC(C)NCCN,CC(C)NCCN,"InChI=1/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3",C5H14N2,,,,,,KDRUIMNNZBMLJR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.191,243-126-3,19523-57-0,2-ethoxynaphthalene-1-carbaldehyde,2-ethoxy-1-naphthaldehyde,CCOc1ccc2ccccc2c1C=O,CCOc1ccc2ccccc2c1C=O,"InChI=1/C13H12O2/c1-2-15-13-8-7-10-5-3-4-6-11(10)12(13)9-14/h3-9H,2H2,1H3",C13H12O2,,,,,,IMNKQTWVJHODOS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.216,243-154-6,19550-48-2,"1,4-dimethylcyclopentene","1,4-dimethylcyclopentene",CC1CC=C(C)C1,CC1CC=C(C)C1,"InChI=1/C7H12/c1-6-3-4-7(2)5-6/h3,7H,4-5H2,1-2H3",C7H12,,,,,,YYDXWNZZLPCQSL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.217,243-155-1,19550-54-0,"5,9-dimethyl-8-decen-3-ol","5,9-dimethyldec-8-en-3-ol",CCC(O)CC(C)CCC=C(C)C,CCC(O)CC(C)CCC=C(C)C,"InChI=1/C12H24O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h7,11-13H,5-6,8-9H2,1-4H3",C12H24O,,,,,,YBQNRPVINYKRGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.223,243-161-4,19562-30-2,Piromidic acid,"8-ethyl-5-oxo-2-pyrrolidin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCCC3,CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCCC3,"InChI=1/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)",C14H16N4O3,,,,,,RCIMBBZXSXFZBV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.225,243-164-0,19572-10-2,"Ethyl 8-ethyl-5,8-dihydro-2-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate","ethyl 8-ethyl-2-methoxy-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate",CCOC(=O)C1=CN(CC)c2nc(OC)ncc2C1=O,CCOC(=O)C1=CN(CC)c2nc(OC)ncc2C1=O,"InChI=1/C13H15N3O4/c1-4-16-7-9(12(18)20-5-2)10(17)8-6-14-13(19-3)15-11(8)16/h6-7H,4-5H2,1-3H3",C13H15N3O4,,,,,,KDQDRZOROIKCCP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.694,249-179-9,28712-30-3,"2,7-bis[2-(dimethylamino)ethoxy]-9H-fluoren-9-one dihydrochloride","2,7-bis[2-(dimethylamino)ethoxy]-9H-fluoren-9-one dihydrochloride",Cl.Cl.CN(C)CCOc1ccc2c(c1)C(=O)c3cc(OCCN(C)C)ccc23,Cl.Cl.CN(C)CCOc1ccc2c(c1)C(=O)c3cc(OCCN(C)C)ccc23,"InChI=1/C21H26N2O3.2ClH/c1-22(2)9-11-25-15-5-7-17-18-8-6-16(26-12-10-23(3)4)14-20(18)21(24)19(17)13-15;;/h5-8,13-14H,9-12H2,1-4H3;2*1H",C21H26N2O3.2ClH,,,,,,ZBEFNNLHCLQRQD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.701,249-187-2,28719-79-1,"2,2,5,8,8-pentamethyl-1,9-bis(octadecyloxycarbonyl)-5-(octadecyloxycarbonylmethyl)-2,5,8-triazonianonane trichloride","N-(2-{dimethyl[2-(octadecyloxy)-2-oxoethyl]ammonio}ethyl)-N,N',N'-trimethyl-N,N'-bis[2-(octadecyloxy)-2-oxoethyl]ethane-1,2-diaminium trichloride",[Cl-].[Cl-].[Cl-].CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(CC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCCC,[Cl-].[Cl-].[Cl-].CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(CC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C69H140N3O6.3ClH/c1-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-61-76-67(73)64-70(4,5)57-59-72(8,66-69(75)78-63-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-3)60-58-71(6,7)65-68(74)77-62-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-2;;;/h9-66H2,1-8H3;3*1H/q+3;;;/p-3",C69H140N3O6.3Cl,,,,,,MLOCGFBEDIYDHX-UHFFFAOYSA-K,,,,,,,,,,,
100.044.703,249-189-3,28721-09-7,"10-methoxy-5H-dibenz[b,f]azepine-5-carboxamide","10-methoxy-5H-dibenzo[b,f]azepine-5-carboxamide",COC1=Cc2ccccc2N(C(=O)N)c3ccccc13,COC1=Cc2ccccc2N(C(=O)N)c3ccccc13,"InChI=1/C16H14N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-10H,1H3,(H2,17,19)",C16H14N2O2,,,,,,PIZOFBKQWNPKDK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.706,249-193-5,28729-52-4,Dimethylcyclopentane,"1,1-dimethylcyclopentane",CC1(C)CCCC1,CC1(C)CCCC1,"InChI=1/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3",C7H14,,,,,,QWHNJUXXYKPLQM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.710,249-197-7,28749-63-5,"4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolylphosphoric acid, sodium salt","sodium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl hydrogen phosphate",CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)(O)O[Na])cc4C,CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)(O)O[Na])cc4C,"InChI=1/C28H31O7P.Na/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;/h7-16,29H,1-6H3,(H2,31,32,33);/q;+1/p-1/rC28H30NaO7P/c1-15(2)20-13-23(17(5)11-25(20)30)28(22-10-8-7-9-19(22)27(31)34-28)24-14-21(16(3)4)26(12-18(24)6)35-37(32,33)36-29/h7-16,30H,1-6H3,(H,32,33)",C28H31O7P.xNa,,,,,,LQKRLVLDBOCZSK-UHFFFAOYSA-M,,,,,,,,,,,
100.038.647,242-529-1,18720-11-1,"1,1',1''-(1,3-butadien-1-yl-4-ylidene)trisbenzene","1,1',1''-buta-1,3-diene-1,1,4-triyltribenzene",C(/C=Cc1ccccc1)=C(/c2ccccc2)c3ccccc3,C(/C=Cc1ccccc1)=C(/c2ccccc2)c3ccccc3,InChI=1/C22H18/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-18H,C22H18,,,,,,ZXJYAYKVSJJDNO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.649,242-531-2,18720-65-5,5-methylheptan-3-ol,5-methylheptan-3-ol,CCC(C)CC(O)CC,CCC(C)CC(O)CC,"InChI=1/C8H18O/c1-4-7(3)6-8(9)5-2/h7-9H,4-6H2,1-3H3",C8H18O,,,,,,SECKOSOTZOBWEI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.660,242-543-8,18733-15-8,Methyl 3-(dimethoxyphosphinoyl)propionate,methyl 3-(dimethoxyphosphoryl)propanoate,COC(=O)CCP(=O)(OC)OC,COC(=O)CCP(=O)(OC)OC,"InChI=1/C6H13O5P/c1-9-6(7)4-5-12(8,10-2)11-3/h4-5H2,1-3H3",C6H13O5P,,,,,,DUCGXDQPWFCMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.662,242-545-9,18733-57-8,Trichloroicosylsilane,trichloro(icosyl)silane,CCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C20H41Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h2-20H2,1H3",C20H41Cl3Si,,,,,,JIWLOZPAQDZWQN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.669,242-553-2,18748-91-9,Trimethylsilyl stearate,trimethylsilyl stearate,CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C,CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C,"InChI=1/C21H44O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h5-20H2,1-4H3",C21H44O2Si,,,,,,DDLPZVTUKLKVQB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.677,242-562-1,18775-39-8,1-(5-bromo-7-ethyl-2-benzofuryl)ethan-1-one,1-(5-bromo-7-ethyl-1-benzofuran-2-yl)ethanone,CCc1cc(Br)cc2cc(oc12)C(=O)C,CCc1cc(Br)cc2cc(oc12)C(=O)C,"InChI=1/C12H11BrO2/c1-3-8-4-10(13)5-9-6-11(7(2)14)15-12(8)9/h4-6H,3H2,1-2H3",C12H11BrO2,,,,,,PPNZFWQOMJVVJT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.678,242-563-7,18775-40-1,1-(5-bromo-7-ethyl-2-benzofuryl)-2-chloroethan-1-one,1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanone,CCc1cc(Br)cc2cc(oc12)C(=O)CCl,CCc1cc(Br)cc2cc(oc12)C(=O)CCl,"InChI=1/C12H10BrClO2/c1-2-7-3-9(13)4-8-5-11(10(15)6-14)16-12(7)8/h3-5H,2,6H2,1H3",C12H10BrClO2,,,,,,SYSQCQYOHVPKJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.679,242-564-2,18777-54-3,p-(3-dodecyl)benzenesulphonic acid,4-(1-ethyldecyl)benzenesulfonic acid,CCCCCCCCCC(CC)c1ccc(cc1)S(=O)(=O)O,CCCCCCCCCC(CC)c1ccc(cc1)S(=O)(=O)O,"InChI=1/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",C18H30O3S,,,,,,QJRVOJKLQNSNDB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.681,242-566-3,18779-08-3,Lutetium(3+) acetate,lutetium triacetate,[Lu+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Lu+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Lu/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Lu,,,,,,YMPHWTSLMNFNFB-UHFFFAOYSA-K,,,,,,,,,,,
100.038.690,242-576-8,18791-25-8,Sodium N-myristoyl-DL-serinate,sodium 3-hydroxy-2-(tetradecanoylamino)propanoate,[Na+].CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-],[Na+].CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-],"InChI=1/C17H33NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)18-15(14-19)17(21)22;/h15,19H,2-14H2,1H3,(H,18,20)(H,21,22);/q;+1/p-1",C17H33NO4.Na,,,,,,LYQLUQZODYWBPR-RSAXXLAASA-M,,,,,,,,,,,
100.041.167,245-300-4,22888-60-4,Methyl L-histidinate hydrochloride,methyl L-histidinate hydrochloride,Cl.COC(=O)[C@@H](N)Cc1c[nH]cn1,Cl.COC(=O)[C@@H](N)Cc1c[nH]cn1,"InChI=1/C7H11N3O2.ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;/h3-4,6H,2,8H2,1H3,(H,9,10);1H",C7H11N3O2.xClH,,,,,,VEEIFXWJNCAVEQ-RGMNGODLSA-N,,,,,,,,,,,
100.041.168,245-302-5,22888-70-6,Silibinin,"3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one",COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O,COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O,"InChI=1/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3",C25H22O10,,,,,,SEBFKMXJBCUCAI-HKTJVKLFSA-N,,,,,,,,,,,
100.041.171,245-305-1,22890-10-4,N-[3-(dimethylamino)propyl]octanamide,N-[3-(dimethylamino)propyl]octanamide,CCCCCCCC(=O)NCCCN(C)C,CCCCCCCC(=O)NCCCN(C)C,"InChI=1/C13H28N2O/c1-4-5-6-7-8-10-13(16)14-11-9-12-15(2)3/h4-12H2,1-3H3,(H,14,16)",C13H28N2O,,,,,,RZJGTTOKUNMVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.175,245-309-3,22892-95-1,4-chloro-5-chlorosulphonyl-3-nitrobenzoic acid,4-chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid,OC(=O)c1cc(c(Cl)c(c1)S(=O)(=O)Cl)[N+](=O)[O-],OC(=O)c1cc(c(Cl)c(c1)S(=O)(=O)Cl)[N+](=O)[O-],"InChI=1/C7H3Cl2NO6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)",C7H3Cl2NO6S,,,,,,AFRAGFLBINOHDV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.177,245-311-4,22898-01-7,"Sodium 2,2,3,3-tetrafluoropropionate","sodium 2,2,3,3-tetrafluoropropanoate",[Na+].[O-]C(=O)C(F)(F)C(F)F,[Na+].[O-]C(=O)C(F)(F)C(F)F,"InChI=1/C3H2F4O2.Na/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);/q;+1/p-1",C3H2F4O2.Na,,,,,,SGUSXTMVKMPQKI-UHFFFAOYSA-M,,,,,,,,,,,
100.017.373,219-109-1,9/10/2362,"1,3-bis(chloromethyl)-1,1,3,3-tetramethyldisiloxane","1,3-bis(chloromethyl)-1,1,3,3-tetramethyldisiloxane",C[Si](C)(CCl)O[Si](C)(C)CCl,C[Si](C)(CCl)O[Si](C)(C)CCl,"InChI=1/C6H16Cl2OSi2/c1-10(2,5-7)9-11(3,4)6-8/h5-6H2,1-4H3",C6H16Cl2OSi2,,,,,,NBGGEWGFZUDQKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.875,220-761-4,2892-51-5,"3,4-dihydroxy-3-cyclobutene-1,2-dione","3,4-dihydroxycyclobut-3-ene-1,2-dione",OC1=C(O)C(=O)C1=O,OC1=C(O)C(=O)C1=O,InChI=1/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H,C4H2O4,,,,,,PWEBUXCTKOWPCW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.879,220-766-1,2893-33-6,"Pyridine-2,6-dicarbonitrile","pyridine-2,6-dicarbonitrile",N#Cc1cccc(n1)C#N,N#Cc1cccc(n1)C#N,InChI=1/C7H3N3/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,C7H3N3,,,,,,XNPMXMIWHVZGMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.884,220-771-9,2894-67-9,Delorazepam,"7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one",Clc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1,Clc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1,"InChI=1/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",C15H10Cl2N2O,,,,,,CHIFCDOIPRCHCF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.885,220-772-4,6/03/2895,Didodecyl peroxide,"1,1'-dioxydidodecane",CCCCCCCCCCCCOOCCCCCCCCCCCC,CCCCCCCCCCCCOOCCCCCCCCCCCC,"InChI=1/C24H50O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50O2,,,,,,LGJCFVYMIJLQJO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.889,220-777-1,2896-60-8,4-ethylresorcinol,"4-ethylbenzene-1,3-diol",CCc1ccc(O)cc1O,CCc1ccc(O)cc1O,"InChI=1/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3",C8H10O2,,,,,,VGMJYYDKPUPTID-UHFFFAOYSA-N,,,,,,,,,,,
100.016.884,218-572-7,2185-86-6,"[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-(4-{[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride",[Cl-].CCNc1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C)c4ccccc14,[Cl-].CCNc1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C)c4ccccc14,"InChI=1/C29H31N3.ClH/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5;/h7-20H,6H2,1-5H3;1H",C29H32N3.Cl,,,,,,JEVGKYBUANQAKG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.888,218-576-9,2186-33-6,N-allylmethacrylamide,N-allyl-2-methylacrylamide,CC(=C)C(=O)NCC=C,CC(=C)C(=O)NCC=C,"InChI=1/C7H11NO/c1-4-5-8-7(9)6(2)3/h4H,1-2,5H2,3H3,(H,8,9)",C7H11NO,,,,,,GROXSGRIVDMIEN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.896,218-585-8,8/10/2191,Cadmium di(octanoate),cadmium dioctanoate,[Cd+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Cd+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Cd/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Cd,,,,,,KOTZHELIJDCVNA-UHFFFAOYSA-L,,,,,,,,,,,
100.016.900,218-590-5,2193-16-0,"2-(allyloxy)-N-[2-(diethylamino)ethyl]-a,a,a-trifluoro-p-toluamide hydrochloride",2-(allyloxy)-N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1ccc(cc1OCC=C)C(F)(F)F,Cl.CCN(CC)CCNC(=O)c1ccc(cc1OCC=C)C(F)(F)F,"InChI=1/C17H23F3N2O2.ClH/c1-4-11-24-15-12-13(17(18,19)20)7-8-14(15)16(23)21-9-10-22(5-2)6-3;/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,21,23);1H",C17H23F3N2O2.ClH,,,,,,PYBOYPRLHMLIIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.905,218-595-2,2198-23-4,Non-4-ene,non-4-ene,CCCCC=CCCC,CCCCC=CCCC,"InChI=1/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3",C9H18,,,,,,KPADFPAILITQBG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.906,218-596-8,2198-53-0,"N-(2,6-dimethylphenyl)acetamide","N-(2,6-dimethylphenyl)acetamide",CC(=O)Nc1c(C)cccc1C,CC(=O)Nc1c(C)cccc1C,"InChI=1/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)",C10H13NO,,,,,,NRPTXWYBRKRZES-UHFFFAOYSA-N,,,,,,,,,,,
100.016.914,218-605-5,2198-77-8,"2,7-dichloronaphthalene","2,7-dichloronaphthalene",Clc1ccc2ccc(Cl)cc2c1,Clc1ccc2ccc(Cl)cc2c1,InChI=1/C10H6Cl2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,C10H6Cl2,,,,,,DWBQZSYTSNYEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.916,218-607-6,2200-44-4,"Sodium N-(3,4-dimethylisoxazol-5-yl)sulphanilamidate","sodium [(4-aminophenyl)sulfonyl](3,4-dimethylisoxazol-5-yl)azanide",Cc1noc(N([Na])S(=O)(=O)c2ccc(N)cc2)c1C,Cc1noc(N([Na])S(=O)(=O)c2ccc(N)cc2)c1C,"InChI=1/C11H12N3O3S.Na/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6H,12H2,1-2H3;/q-1;+1/rC11H12N3NaO3S/c1-7-8(2)13-18-11(7)14(15)19(16,17)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3",C11H13N3O3S.Na,,,,,,XGZAZJYPRJGHIG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.918,218-609-7,2202-23-5,Barium pentadecanoate,barium dipentadecanoate,[Ba+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C15H30O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2",C15H30O2.1/2Ba,,,,,,SMAVZMJUOLUMRL-UHFFFAOYSA-L,,,,,,,,,,,
100.016.926,218-618-6,2206-43-1,4-methoxyisophthalic acid,4-methoxyisophthalic acid,COc1ccc(cc1C(=O)O)C(=O)O,COc1ccc(cc1C(=O)O)C(=O)O,"InChI=1/C9H8O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)",C9H8O5,,,,,,JIICYHFLIOGGHE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.184,221-101-8,3003-38-1,"Benzyl 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate","benzyl 4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate",O=C(OCc1ccccc1)c2ccc(cc2)N=NC4C(\\C)=N/N(c3ccccc3)C4=O,O=C(OCc1ccccc1)c2ccc(cc2)N=NC4C(\C)=N/N(c3ccccc3)C4=O,"InChI=1/C24H20N4O3/c1-17-22(23(29)28(27-17)21-10-6-3-7-11-21)26-25-20-14-12-19(13-15-20)24(30)31-16-18-8-4-2-5-9-18/h2-15,22H,16H2,1H3",C24H20N4O3,,,,,,AXWCPLZLTHSWBP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.683,223-851-1,4096-72-4,"2,6-di-tert-butyl-4-chlorophenol","2,6-di-tert-butyl-4-chlorophenol",CC(C)(C)c1cc(Cl)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(Cl)cc(c1O)C(C)(C)C,"InChI=1/C14H21ClO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3",C14H21ClO,,,,,,WLQMYDWPKCQDPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.690,223-859-5,4098-06-0,"2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate","1,3,4-tri-O-acetyl-2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol",CC(=O)OC[C@H]1OC=C[C@@H](OC(=O)C)[C@H]1OC(=O)C,CC(=O)OC[C@H]1OC=C[C@@H](OC(=O)C)[C@H]1OC(=O)C,"InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3",C12H16O7,,,,,,LLPWGHLVUPBSLP-IJLUTSLNSA-N,,,,,,,,,,,
100.021.692,223-861-6,4098-71-9,"3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate","5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane",CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O,CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O,"InChI=1/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3",C12H18N2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14516,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.692,NIMLQBUJDJZYEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.694,223-863-7,4099-65-4,"2-hexyl-4,6-dinitrophenol","2-hexyl-4,6-dinitrophenol",CCCCCCc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],CCCCCCc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H16N2O5/c1-2-3-4-5-6-9-7-10(13(16)17)8-11(12(9)15)14(18)19/h7-8,15H,2-6H2,1H3",C12H16N2O5,,,,,,UZZSJGULYYQOOY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.697,223-866-3,4100-14-5,"Ethyl 1,2,3-thiadiazole-5-carboxylate","ethyl 1,2,3-thiadiazole-5-carboxylate",CCOC(=O)c1cnns1,CCOC(=O)c1cnns1,"InChI=1/C5H6N2O2S/c1-2-9-5(8)4-3-6-7-10-4/h3H,2H2,1H3",C5H6N2O2S,,,,,,IVZZCUPPIUETNY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.703,223-873-1,5/12/4104,"N,N'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-oxobutyramide]","N,N'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3-oxobutanamide)",COc1cc(ccc1NC(=O)CC(=O)C)c2ccc(NC(=O)CC(=O)C)c(OC)c2,COc1cc(ccc1NC(=O)CC(=O)C)c2ccc(NC(=O)CC(=O)C)c(OC)c2,"InChI=1/C22H24N2O6/c1-13(25)9-21(27)23-17-7-5-15(11-19(17)29-3)16-6-8-18(20(12-16)30-4)24-22(28)10-14(2)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)(H,24,28)",C22H24N2O6,,,,,,QCGJBSHPJVTZSR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.706,223-876-8,4104-49-8,"p-[4,8-diamino-1,5-dihydroxy-9,10-dihydro-9,10-dioxo-2-anthryl]phenyl benzoate","4-(4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)phenyl benzoate",Nc1ccc(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)c4ccc(OC(=O)c5ccccc5)cc4,Nc1ccc(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)c4ccc(OC(=O)c5ccccc5)cc4,"InChI=1/C27H18N2O6/c28-17-10-11-19(30)22-20(17)26(33)23-21(25(22)32)18(29)12-16(24(23)31)13-6-8-15(9-7-13)35-27(34)14-4-2-1-3-5-14/h1-12,30-31H,28-29H2",C27H18N2O6,,,,,,UTKGUAAJNFVYMR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.713,223-884-1,4106-67-6,2-[(o-nitrophenyl)azo]acetoacetanilide,2-[(2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide,CC(=O)C(N=Nc1ccccc1[N+]([O-])=O)C(=O)Nc2ccccc2,CC(=O)C(N=Nc1ccccc1[N+]([O-])=O)C(=O)Nc2ccccc2,"InChI=1/C16H14N4O4/c1-11(21)15(16(22)17-12-7-3-2-4-8-12)19-18-13-9-5-6-10-14(13)20(23)24/h2-10,15H,1H3,(H,17,22)",C16H14N4O4,,,,,,FCUWHABSNJYYDW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.715,223-886-2,4107-65-7,"2,4-dimethoxybenzonitrile","2,4-dimethoxybenzonitrile",COc1ccc(C#N)c(OC)c1,COc1ccc(C#N)c(OC)c1,"InChI=1/C9H9NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,1-2H3",C9H9NO2,,,,,,RYRZSQQELLQCMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.721,223-893-0,4111-54-0,Lithium diisopropylamide,lithium diisopropylazanide,[Li]N(C(C)C)C(C)C,[Li]N(C(C)C)C(C)C,"InChI=1/C6H14N.Li/c1-5(2)7-6(3)4;/h5-6H,1-4H3;/q-1;+1/rC6H14LiN/c1-5(2)8(7)6(3)4/h5-6H,1-4H3",C6H15N.Li,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13825,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.721,ZCSHNCUQKCANBX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.728,223-900-7,6/12/4113,Dihexadecyl ether,"1,1'-oxydihexadecane",CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC,"InChI=1/C32H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C32H66O,,,,,,FDCJDKXCCYFOCV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.729,223-901-2,4113-15-9,"Bis(3,5,5-trimethylhexyl) peroxydicarbonate","3,5,5-trimethylhexyl [(3,5,5-trimethylhexyl)peroxy]carbonyl carbonate",CC(CCOOC(=O)OC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOOC(=O)OC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C20H38O6/c1-15(13-19(3,4)5)9-11-23-17(21)25-18(22)26-24-12-10-16(2)14-20(6,7)8/h15-16H,9-14H2,1-8H3",C20H38O6,,,,,,YFQXNKZAUQAFBO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.694,242-581-5,18794-78-0,2-heptylthiophene,2-heptylthiophene,CCCCCCCc1cccs1,CCCCCCCc1cccs1,"InChI=1/C11H18S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3",C11H18S,,,,,,FGGZOCMVJAJPMH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.696,242-583-6,18795-33-0,"Tris(2,3-epoxypropyl) phosphate",tris(oxiran-2-ylmethyl) phosphate,O=P(OCC1CO1)(OCC2CO2)OCC3CO3,O=P(OCC1CO1)(OCC2CO2)OCC3CO3,"InChI=1/C9H15O7P/c10-17(14-4-7-1-11-7,15-5-8-2-12-8)16-6-9-3-13-9/h7-9H,1-6H2",C9H15O7P,,,,,,PYGKDFLMCGZPHX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.717,249-204-3,28768-32-3,"4,4'-methylenebis[N,N-bis(2,3-epoxypropyl)aniline]","4,4'-methylenebis[N,N-bis(oxiran-2-ylmethyl)aniline]",C(C1CO1)N(CC2CO2)c3ccc(Cc4ccc(cc4)N(CC5CO5)CC6CO6)cc3,C(C1CO1)N(CC2CO2)c3ccc(Cc4ccc(cc4)N(CC5CO5)CC6CO6)cc3,"InChI=1/C25H30N2O4/c1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25/h1-8,22-25H,9-17H2",C25H30N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14134,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.717,FAUAZXVRLVIARB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.724,249-212-7,28779-19-3,Dodecyldiethylenetriamine,"N-(2-aminoethyl)-N'-dodecylethane-1,2-diamine",CCCCCCCCCCCCNCCNCCN,CCCCCCCCCCCCNCCNCCN,"InChI=1/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h18-19H,2-17H2,1H3",C16H37N3,,,,,,RRHLGOOTLYHTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.728,249-216-9,28781-62-6,"7-chloro-5-(1-chlorocyclohexyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one","7-chloro-5-(1-chlorocyclohexyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(c2cc(Cl)ccc12)C3(Cl)CCCCC3,CN1C(=O)CN=C(c2cc(Cl)ccc12)C3(Cl)CCCCC3,"InChI=1/C16H18Cl2N2O/c1-20-13-6-5-11(17)9-12(13)15(19-10-14(20)21)16(18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3",C16H18Cl2N2O,,,,,,VCBSSHVDTFGHBF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.733,249-222-1,28787-22-6,4-amidinosemicarbazide dihydrochloride,N-carbamimidoylhydrazinecarboxamide dihydrochloride,Cl.Cl.NNC(=O)NC(=N)N,Cl.Cl.NNC(=O)NC(=N)N,"InChI=1/C2H7N5O.2ClH/c3-1(4)6-2(8)7-5;;/h5H2,(H5,3,4,6,7,8);2*1H",C2H7N5O.2ClH,,,,,,CRDUMFPZOLIQCX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.437,224-680-5,4444-23-9,Persilic acid,"2,5-dihydroxybenzene-1,4-disulfonic acid",Oc1cc(c(O)cc1S(=O)(=O)O)S(=O)(=O)O,Oc1cc(c(O)cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C6H6O8S2/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)",C6H6O8S2,,,,,,VSAZFRKEFQPOIS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.439,224-682-6,4444-91-1,10-hydroxyoctadecan-9-one,10-hydroxyoctadecan-9-one,CCCCCCCCC(O)C(=O)CCCCCCCC,CCCCCCCCC(O)C(=O)CCCCCCCC,"InChI=1/C18H36O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h17,19H,3-16H2,1-2H3",C18H36O2,,,,,,YWROTYFPHVSHRS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.441,224-684-7,2/07/4445,Octadecylbenzene,octadecylbenzene,CCCCCCCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCCCCCCc1ccccc1,"InChI=1/C24H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22-23H,2-16,18,21H2,1H3",C24H42,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12816,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.441,WSVDSBZMYJJMSB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.442,224-685-2,4445-58-3,"[1,1'-biphenyl]-3,4-dicarboxylic acid","biphenyl-3,4-dicarboxylic acid",OC(=O)c1ccc(cc1C(=O)O)c2ccccc2,OC(=O)c1ccc(cc1C(=O)O)c2ccccc2,"InChI=1/C14H10O4/c15-13(16)11-7-6-10(8-12(11)14(17)18)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)",C14H10O4,,,,,,YYEWRNLQOAIQDL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.445,224-688-9,4447-60-3,"2,2',2''-[methylidynetris(oxy)]trispropane","2,2',2''-[methanetriyltris(oxy)]tripropane",CC(C)OC(OC(C)C)OC(C)C,CC(C)OC(OC(C)C)OC(C)C,"InChI=1/C10H22O3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-10H,1-6H3",C10H22O3,,,,,,FPIVAWNGRDHRSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.447,224-691-5,4448-75-3,Cycloheptanemethanol,cycloheptylmethanol,OCC1CCCCCC1,OCC1CCCCCC1,"InChI=1/C8H16O/c9-7-8-5-3-1-2-4-6-8/h8-9H,1-7H2",C8H16O,,,,,,BMCQFFXPECPDPS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.448,224-692-0,4448-77-5,Cycloheptylmethylamine,1-cycloheptylmethanamine,NCC1CCCCCC1,NCC1CCCCCC1,"InChI=1/C8H17N/c9-7-8-5-3-1-2-4-6-8/h8H,1-7,9H2",C8H17N,,,,,,CAOQEOHEZKVYOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.452,224-696-2,4453-90-1,"1,4-dihydro-1,4-methanonaphthalene","1,4-dihydro-1,4-methanonaphthalene",C1C2C=CC1c3ccccc23,C1C2C=CC1c3ccccc23,"InChI=1/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2",C11H10,,,,,,IEGYXSAHRKJELM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.458,224-702-3,4455-15-6,Ethyl (methylsulphonyl)acetate,ethyl (methylsulfonyl)acetate,CCOC(=O)CS(=O)(=O)C,CCOC(=O)CS(=O)(=O)C,"InChI=1/C5H10O4S/c1-3-9-5(6)4-10(2,7)8/h3-4H2,1-2H3",C5H10O4S,,,,,,OCCWQCYBCZADCE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.461,224-706-5,4456-80-8,"N,N'-diphenyladipamide","N,N'-diphenylhexanediamide",O=C(CCCCC(=O)Nc1ccccc1)Nc2ccccc2,O=C(CCCCC(=O)Nc1ccccc1)Nc2ccccc2,"InChI=1/C18H20N2O2/c21-17(19-15-9-3-1-4-10-15)13-7-8-14-18(22)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22)",C18H20N2O2,,,,,,QZLPDBKEVWFQNF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.463,224-708-6,4457-32-3,4-nitrobenzyl chloroformate,4-nitrobenzyl chlorocarbonate,[O-][N+](=O)c1ccc(COC(=O)Cl)cc1,[O-][N+](=O)c1ccc(COC(=O)Cl)cc1,"InChI=1/C8H6ClNO4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2",C8H6ClNO4,,,,,,MHSGOABISYIYKP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.464,224-709-1,4457-71-0,"3-methylpentane-1,5-diol","3-methylpentane-1,5-diol",CC(CCO)CCO,CC(CCO)CCO,"InChI=1/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3",C6H14O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10455,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.464,SXFJDZNJHVPHPH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.466,224-711-2,4458-33-7,N-ethyldibutylamine,N-butyl-N-ethylbutan-1-amine,CCCCN(CC)CCCC,CCCCN(CC)CCCC,"InChI=1/C10H23N/c1-4-7-9-11(6-3)10-8-5-2/h4-10H2,1-3H3",C10H23N,,,,,,BBDGYADAMYMJNO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.180,245-315-6,22907-02-4,"N4-(7-chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride","N~4~-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N~1~,N~1~-diethylpentane-1,4-diamine dihydrochloride",Cl.Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)nc13,Cl.Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)nc13,"InChI=1/C22H29ClN4O.2ClH/c1-5-27(6-2)13-7-8-15(3)24-21-17-10-9-16(23)14-19(17)25-18-11-12-20(28-4)26-22(18)21;;/h9-12,14-15H,5-8,13H2,1-4H3,(H,24,25);2*1H",C22H29ClN4O.2ClH,,,,,,RQIYYGPYVAXLEK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.182,245-317-7,22909-87-1,2-mercaptoethyl heptanoate,2-sulfanylethyl heptanoate,CCCCCCC(=O)OCCS,CCCCCCC(=O)OCCS,"InChI=1/C9H18O2S/c1-2-3-4-5-6-9(10)11-7-8-12/h12H,2-8H2,1H3",C9H18O2S,,,,,,RAQXZZCIQKGGNI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.186,245-321-9,22914-30-3,N-cyano-N'-(methoxymethyl)guanidine,1-cyano-3-(methoxymethyl)guanidine,COCNC(=N)NC#N,COCNC(=N)NC#N,"InChI=1/C4H8N4O/c1-9-3-8-4(6)7-2-5/h3H2,1H3,(H3,6,7,8)",C4H8N4O,,,,,,RSKNWCGKYIHOGS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.192,245-328-7,22919-58-0,"2',4'-dihydroxypropiophenone oxime","1-(2,4-dihydroxyphenyl)propan-1-one oxime",CCC(=NO)c1ccc(O)cc1O,CCC(=NO)c1ccc(O)cc1O,"InChI=1/C9H11NO3/c1-2-8(10-13)7-4-3-6(11)5-9(7)12/h3-5,11-13H,2H2,1H3",C9H11NO3,,,,,,BYURKXUVPLZDSO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.195,245-331-3,22923-00-8,"N-(2,4-dichlorophenyl)formamide","N-(2,4-dichlorophenyl)formamide",Clc1ccc(NC=O)c(Cl)c1,Clc1ccc(NC=O)c(Cl)c1,"InChI=1/C7H5Cl2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-4H,(H,10,11)",C7H5Cl2NO,,,,,,BWYJUOJHJQYBQO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.197,245-333-4,22924-15-8,m-ethoxybenzaldehyde,3-ethoxybenzaldehyde,CCOc1cccc(C=O)c1,CCOc1cccc(C=O)c1,"InChI=1/C9H10O2/c1-2-11-9-5-3-4-8(6-9)7-10/h3-7H,2H2,1H3",C9H10O2,,,,,,QZMGMXBYJZVAJN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.203,245-340-2,22940-55-2,4-acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine,1-{1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidin-4-yl}ethanone,CC(=O)C1(CCN(CC1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3,CC(=O)C1(CCN(CC1)S(=O)(=O)c2ccc(C)cc2)c3ccccc3,"InChI=1/C20H23NO3S/c1-16-8-10-19(11-9-16)25(23,24)21-14-12-20(13-15-21,17(2)22)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3",C20H23NO3S,,,,,,YNLNHMCVQZLBSO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.207,245-344-4,22948-02-3,3-aminobenzenethiol,3-aminobenzenethiol,Nc1cccc(S)c1,Nc1cccc(S)c1,"InChI=1/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2",C6H7NS,,,,,,KFFUEVDMVNIOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.213,245-351-2,22957-48-8,"(17ß)-17-methyl-2'H-androst-2-eno[3,2-c]pyrazol-17-ol","5a,7a,8-trimethyl-5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-indeno[5,4-f]pyrazolo[1,5-a]quinolin-8-ol",CC1(O)CCC2C3CCC4N5NC=CC5=CCC4(C)C3CCC12C,CC1(O)CCC2C3CCC4N5NC=CC5=CCC4(C)C3CCC12C,"InChI=1/C21H32N2O/c1-19-10-6-14-9-13-22-23(14)18(19)5-4-15-16(19)7-11-20(2)17(15)8-12-21(20,3)24/h6,9,13,15-18,22,24H,4-5,7-8,10-12H2,1-3H3",C21H32N2O,,,,,,QBCSWYQAQBHPRM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.143,221-056-4,2987-66-8,"1,5-bis(methylamino)anthraquinone","1,5-bis(methylamino)-9,10-anthraquinone",CNc1cccc2C(=O)c3c(NC)cccc3C(=O)c12,CNc1cccc2C(=O)c3c(NC)cccc3C(=O)c12,"InChI=1/C16H14N2O2/c1-17-11-7-3-5-9-13(11)15(19)10-6-4-8-12(18-2)14(10)16(9)20/h3-8,17-18H,1-2H3",C16H14N2O2,,,,,,YGOKTRWIJMNYPH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.149,221-063-2,2991-52-8,Ammonium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate,ammonium {ethyl[(heptadecafluorooctyl)sulfonyl]amino}acetate,[NH4+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H8F17NO4S.H3N/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;/h2-3H2,1H3,(H,31,32);1H3",C12H8F17NO4S.H3N,,,,,,SJEKNOZINRJJPA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.152,221-066-9,2996-92-1,Trimethoxyphenylsilane,trimethoxy(phenyl)silane,CO[Si](OC)(OC)c1ccccc1,CO[Si](OC)(OC)c1ccccc1,"InChI=1/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3",C9H14O3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14391,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.152,ZNOCGWVLWPVKAO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.153,221-067-4,5/01/2997,"3,3'-ethylenedioxybis(propylamine)","1,2-dioxecane-3,10-diamine",NC1CCCCCCC(N)OO1,NC1CCCCCCC(N)OO1,"InChI=1/C8H18N2O2/c9-7-5-3-1-2-4-6-8(10)12-11-7/h7-8H,1-6,9-10H2",C8H20N2O2,,,,,,XPBBCXOXJKYQRG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.155,221-070-0,2997-92-4,"2,2'-azobis[2-methylpropionamidine] dihydrochloride","2,2'-diazene-1,2-diylbis(2-methylpropanimidamide) dihydrochloride",Cl.Cl.N=C(N)C(C)(C)N=NC(C)(C)C(N)=N,Cl.Cl.N=C(N)C(C)(C)N=NC(C)(C)C(N)=N,"InChI=1/C8H18N6.2ClH/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;;/h1-4H3,(H3,9,10)(H3,11,12);2*1H",C8H18N6.2ClH,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11995,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.155,LXEKPEMOWBOYRF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.158,221-073-7,2998-18-7,sec-butyl methacrylate,sec-butyl methacrylate,CCC(C)OC(=O)C(=C)C,CCC(C)OC(=O)C(=C)C,"InChI=1/C8H14O2/c1-5-7(4)10-8(9)6(2)3/h7H,2,5H2,1,3-4H3",C8H14O2,,,,,,VXTQKJXIZHSXBY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.160,221-075-8,2998-56-3,Bis(2-chloroethyl)carbamoyl chloride,bis(2-chloroethyl)carbamic chloride,ClCCN(CCCl)C(=O)Cl,ClCCN(CCCl)C(=O)Cl,InChI=1/C5H8Cl3NO/c6-1-3-9(4-2-7)5(8)10/h1-4H2,C5H8Cl3NO,,,,,,JAHXVUPWHXMPLG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.162,221-077-9,2999-46-4,Ethyl isocyanoacetate,ethyl isocyanoacetate,CCOC(=O)C[N+]#[C-],CCOC(=O)C[N+]#[C-],"InChI=1/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3",C5H7NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17093,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.162,FPULFENIJDPZBX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.307,222-336-9,3435-15-2,Diacetoxymethylsilane,silylmethylene diacetate,CC(=O)OC([SiH3])OC(=O)C,CC(=O)OC([SiH3])OC(=O)C,"InChI=1/C5H10O4Si/c1-3(6)8-5(10)9-4(2)7/h5H,1-2,10H3",C5H10O4Si,,,,,,HOHLDXNOJBUIMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.310,222-340-0,3437-84-1,Bisisobutyryl peroxide,diisopropylperoxyanhydride,CC(C)C(=O)OOC(=O)C(C)C,CC(C)C(=O)OOC(=O)C(C)C,"InChI=1/C8H14O4/c1-5(2)7(9)11-12-8(10)6(3)4/h5-6H,1-4H3",C8H14O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11632,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.310,RPBWMJBZQXCSFW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.319,222-350-5,3441-44-9,"3-sec-butyl-1,2,3-oxadiazolidin-5-one","3-sec-butyl-1,2,3-oxadiazolidin-5-one",CCC(C)N1CC(=O)ON1,CCC(C)N1CC(=O)ON1,"InChI=1/C6H12N2O2/c1-3-5(2)8-4-6(9)10-7-8/h5,7H,3-4H2,1-2H3",C6H10N2O2,,,,,,JJQQBAOLCFGQJG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.322,222-353-1,3442-83-9,"4-[(4-iminocyclohexa-2,5-dien-1-ylidene)benzyl]aniline monohydrochloride","4-[(4-iminocyclohexa-2,5-dien-1-ylidene)(phenyl)methyl]aniline hydrochloride",Cl.Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccccc3,Cl.Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccccc3,"InChI=1/C19H16N2.ClH/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;/h1-13,20H,21H2;1H",C19H16N2.ClH,,,,,,SPJSTBGXLCMAJN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.323,222-354-7,3443-45-6,Pyrene-1-butyric acid,4-pyren-1-ylbutanoic acid,OC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34,OC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34,"InChI=1/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)",C20H16O2,,,,,,QXYRRCOJHNZVDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.324,222-355-2,3443-93-4,"1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide","1-amino-4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide",NC(=O)c1cc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c3c1N,NC(=O)c1cc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C21H21N3O3/c22-18-14(21(23)27)10-15(24-11-6-2-1-3-7-11)16-17(18)20(26)13-9-5-4-8-12(13)19(16)25/h4-5,8-11,24H,1-3,6-7,22H2,(H2,23,27)",C21H21N3O3,,,,,,NTQMUNJWJPLBFC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.328,222-359-4,2/11/3445,1-(2-hydroxyethyl)pyrrolidin-2-one,1-(2-hydroxyethyl)pyrrolidin-2-one,OCCN1CCCC1=O,OCCN1CCCC1=O,"InChI=1/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2",C6H11NO2,Full,Joint,10+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13179,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.328,WDQFELCEOPFLCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.332,222-364-1,3446-35-3,Zinc adipate,zinc adipate,[Zn+2].[O-]C(=O)CCCCC(=O)[O-],[Zn+2].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.Zn/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2",C6H10O4.Zn,,,,,,YNKYXJFHDLXPTI-UHFFFAOYSA-L,,,,,,,,,,,
100.020.335,222-367-8,3447-95-8,Benfurodil hemisuccinate,"4-{1-[3-methyl-5-(5-oxo-2,5-dihydrofuran-3-yl)-1-benzofuran-2-yl]ethoxy}-4-oxobutanoic acid",CC(OC(=O)CCC(=O)O)c1oc2ccc(cc2c1C)C3=CC(=O)OC3,CC(OC(=O)CCC(=O)O)c1oc2ccc(cc2c1C)C3=CC(=O)OC3,"InChI=1/C19H18O7/c1-10-14-7-12(13-8-18(23)24-9-13)3-4-15(14)26-19(10)11(2)25-17(22)6-5-16(20)21/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,20,21)",C19H18O7,,,,,,URIZBPYQIRFMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.338,222-370-4,6/05/3449,o-[[(2-mercaptophenyl)imino]methyl]phenol,2-{[(2-sulfanylphenyl)imino]methyl}phenol,Sc2ccccc2N=Cc1ccccc1O,Sc2ccccc2N=Cc1ccccc1O,"InChI=1/C13H11NOS/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H",C13H11NOS,,,,,,RCDKQPLQNRHCGH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.339,222-372-5,3449-26-1,"N-(dimethylphenylsilyl)-1,1-dimethyl-1-phenylsilylamine","N-[dimethyl(phenyl)silyl]-1,1-dimethyl-1-phenylsilanamine",C[Si](C)(N[Si](C)(C)c1ccccc1)c2ccccc2,C[Si](C)(N[Si](C)(C)c1ccccc1)c2ccccc2,"InChI=1/C16H23NSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14,17H,1-4H3",C16H23NSi2,,,,,,HIMXYMYMHUAZLW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.340,222-373-0,3449-63-6,3-(4-fluorophenyl)glutaric acid,3-(4-fluorophenyl)pentanedioic acid,OC(=O)CC(CC(=O)O)c1ccc(F)cc1,OC(=O)CC(CC(=O)O)c1ccc(F)cc1,"InChI=1/C11H11FO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)",C11H11FO4,,,,,,CNZZQTFKXGQNLI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.343,222-376-7,3452-97-9,"3,5,5-trimethylhexan-1-ol","3,5,5-trimethylhexan-1-ol",CC(CCO)CC(C)(C)C,CC(CCO)CC(C)(C)C,"InChI=1/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3",C9H20O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5418,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.343,BODRLKRKPXBDBN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.354,222-388-2,3457-48-5,Di-p-tolylethanedione,"1,2-bis(4-methylphenyl)ethane-1,2-dione",Cc1ccc(cc1)C(=O)C(=O)c2ccc(C)cc2,Cc1ccc(cc1)C(=O)C(=O)c2ccc(C)cc2,"InChI=1/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3",C16H14O2,,,,,,BCWCEHMHCDCJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.901,221-890-9,3270-71-1,Nifuraldezone,2-{2-[(5-nitro-2-furyl)methylene]hydrazino}-2-oxoacetamide,O=[N+]([O-])c1ccc(C=NNC(=O)C(N)=O)o1,O=[N+]([O-])c1ccc(C=NNC(=O)C(N)=O)o1,"InChI=1/C7H6N4O5/c8-6(12)7(13)10-9-3-4-1-2-5(16-4)11(14)15/h1-3H,(H2,8,12)(H,10,13)",C7H6N4O5,,,,,,AJSKOLZKIUMPPG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.908,221-898-2,3271-87-2,Copper dipalmitate,copper(2+) dihexadecanoate,[Cu+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC,[Cu+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC,"InChI=1/2C16H32O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Cu,,,,,,GYPBUYJSHBFNEJ-UHFFFAOYSA-L,,,,,,,,,,,
100.038.700,242-587-8,18800-53-8,"3,4-dimethylbenzenethiol","3,4-dimethylbenzenethiol",Cc1ccc(S)cc1C,Cc1ccc(S)cc1C,"InChI=1/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",C8H10S,,,,,,IDKCKPBAFOIONK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.708,242-596-7,18816-28-9,Tetraoctadecyl orthosilicate,tetraoctadecyl orthosilicate,CCCCCCCCCCCCCCCCCCO[Si](OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCO[Si](OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1/C72H148O4Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77(74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3",C72H148O4Si,,,,,,KZGQDFWIISLOKP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.712,242-600-7,18820-82-1,Pyridinium bromide,pyridinium bromide,[Br-].c1cc[nH+]cc1,[Br-].c1cc[nH+]cc1,InChI=1/C5H5N.BrH/c1-2-4-6-5-3-1;/h1-5H;1H,C5H5N.BrH,,,,,,BBFCIBZLAVOLCF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.714,242-602-8,18824-11-8,"2,2-dibutyl-1,3,8,11-tetraoxa-2-stannacyclopentadeca-5,13-diene-4,7,12,15-tetrone","2,2-dibutyl-1,3,8,11-tetraoxa-2-stannacyclopentadeca-5,13-diene-4,7,12,15-tetrone",CCCC[Sn]1(CCCC)OC(=O)\\C=C/C(=O)OCCOC(=O)\\C=C/C(=O)O1,CCCC[Sn]1(CCCC)OC(=O)\C=C/C(=O)OCCOC(=O)\C=C/C(=O)O1,"InChI=1/C10H10O8.2C4H9.Sn/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14;2*1-3-4-2;/h1-4H,5-6H2,(H,11,12)(H,13,14);2*1,3-4H2,2H3;/q;;;+2/p-2/rC18H26O8Sn/c1-3-5-13-27(14-6-4-2)25-17(21)9-7-15(19)23-11-12-24-16(20)8-10-18(22)26-27/h7-10H,3-6,11-14H2,1-2H3",C18H26O8Sn,,,,,,CEODJEYOIRWOQD-LBZLRMBPSA-L,,,,,,,,,,,
100.038.715,242-603-3,18824-63-0,"1,1-dimethoxynonane","1,1-dimethoxynonane",CCCCCCCCC(OC)OC,CCCCCCCCC(OC)OC,"InChI=1/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3",C11H24O2,,,,,,LYLVOCPDQAOQKL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.717,242-605-4,18826-29-4,"5,12-bis(phenylethynyl)naphthacene","5,12-bis(phenylethynyl)tetracene",c1ccc(cc1)C#Cc2c3ccccc3c(C#Cc4ccccc4)c5cc6ccccc6cc25,c1ccc(cc1)C#Cc2c3ccccc3c(C#Cc4ccccc4)c5cc6ccccc6cc25,"InChI=1/C34H20/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-18,23-24H",C34H20,,,,,,OUHYGBCAEPBUNA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.720,242-609-6,18829-56-6,(E)-non-2-enal,non-2-enal,CCCCCC\\C=C\\C=O,CCCCCC\C=C\C=O,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3",C9H16O,,,,,,BSAIUMLZVGUGKX-BQYQJAHWSA-N,,,,,,,,,,,
100.038.721,242-610-1,18829-59-9,"2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-4-ol",cedr-8-en-10-ol,CC1CCC2C(C)(C)C3CC12C(O)C=C3C,CC1CCC2C(C)(C)C3CC12C(O)C=C3C,"InChI=1/C15H24O/c1-9-7-13(16)15-8-11(9)14(3,4)12(15)6-5-10(15)2/h7,10-13,16H,5-6,8H2,1-4H3",C15H24O,,,,,,ONJBGKFFLPNVRV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.723,242-612-2,18830-16-5,N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-L-methionine,N-[(benzyloxy)carbonyl]-L-leucyl-L-methionine,CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O,CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C19H28N2O5S/c1-13(2)11-16(17(22)20-15(18(23)24)9-10-27-3)21-19(25)26-12-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)",C19H28N2O5S,,,,,,IZPLXRUAUHMTGJ-HOTGVXAUSA-N,,,,,,,,,,,
100.038.733,242-623-2,18850-44-7,"8-chloro-3,4,5,6-tetrahydro-2H-1-benzothiazocine","8-chloro-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine",Clc1ccc2SCCCCNc2c1,Clc1ccc2SCCCCNc2c1,"InChI=1/C10H12ClNS/c11-8-3-4-10-9(7-8)12-5-1-2-6-13-10/h3-4,7,12H,1-2,5-6H2",C10H12ClNS,,,,,,HGRDMMJJFJFWDU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.736,242-626-9,18855-13-5,"[1,1'-biphenyl]-3,4'-diol","biphenyl-3,4'-diol",Oc1ccc(cc1)c2cccc(O)c2,Oc1ccc(cc1)c2cccc(O)c2,"InChI=1/C12H10O2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,13-14H",C12H10O2,,,,,,BWBGEYQWIHXDKY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.218,245-357-5,22972-96-9,(+)-1-[o-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,1-[2-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1ccccc1OCC=C,CC(C)NCC(O)COc1ccccc1OCC=C,"InChI=1/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",C15H23NO3,,,,,,CEMAWMOMDPGJMB-UHFFFAOYSA-N,Positive,AU220906;EQ312801|EQ312802|EQ312803|EQ312804|EQ312805|EQ312806,[M+H]+;[M+H]+,CIDRAMP 20.3-30.5;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,195.0916:72.08:209.1068;266.1756:72.0808:225.1363|72.0808:116.1071:56.0496|72.0808:56.0496:58.0652|72.0808:56.0496:58.0652|72.0808:56.0496:58.0653|56.0496:72.0808:58.0652,Athens_Univ;Eawag,,,,,
100.041.221,245-360-1,22976-80-3,Uridylyl-(2'<U+2192>5')-guanosine,-,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4C(O)C(CO)OC4N5C=CC(=O)NC5=O)C(O)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4C(O)C(CO)OC4N5C=CC(=O)NC5=O)C(O)C3O)C(=O)N1,"InChI=1/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)",C19H24N7O13P,,,,,,DFYLLEBFVZTKHD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.222,245-361-7,22978-56-9,"2,4-dinitrobenzanilide","2,4-dinitro-N-phenylbenzamide",[O-][N+](=O)c1ccc(C(=O)Nc2ccccc2)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(C(=O)Nc2ccccc2)c(c1)[N+](=O)[O-],"InChI=1/C13H9N3O5/c17-13(14-9-4-2-1-3-5-9)11-7-6-10(15(18)19)8-12(11)16(20)21/h1-8H,(H,14,17)",C13H9N3O5,,,,,,ZIKLEMWQOLOMKC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.469,224-714-9,4461-29-4,Thiophen-2-acetamide,2-(2-thienyl)acetamide,NC(=O)Cc1cccs1,NC(=O)Cc1cccs1,"InChI=1/C6H7NOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H2,7,8)",C6H7NOS,,,,,,UUPZTFTUZUQRQT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.476,224-722-2,4461-52-3,Methoxymethanol,methoxymethanol,COCO,COCO,"InChI=1/C2H6O2/c1-4-2-3/h3H,2H2,1H3",C2H6O2,,,,,,VHWYCFISAQVCCP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.189,216-706-9,1646-26-0,Benzofuran-2-yl methyl ketone,1-(1-benzofuran-2-yl)ethanone,CC(=O)c1oc2ccccc2c1,CC(=O)c1oc2ccccc2c1,"InChI=1/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3",C10H8O2,,,,,,YUTFQTAITWWGFH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.190,216-707-4,1646-53-3,"3-bromo-1,2,4,5-tetramethylbenzene","3-bromo-1,2,4,5-tetramethylbenzene",Cc1cc(C)c(C)c(Br)c1C,Cc1cc(C)c(C)c(Br)c1C,"InChI=1/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3",C10H13Br,,,,,,WJKBPTLQJXKEHC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.192,216-710-0,1646-88-4,2-methyl-2-(methylsulphonyl)propionaldehyde O-(methylcarbamoyl)oxime,2-methyl-2-(methylsulphonyl)propionaldehyde O-(methylcarbamoyl)oxime,CNC(=O)O\\N=C\\C(C)(C)S(=O)(=O)C,CNC(=O)O\N=C\C(C)(C)S(=O)(=O)C,"InChI=1/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)",C7H14N2O4S,,,,,,YRRKLBAKDXSTNC-WEVVVXLNSA-N,,,,,,,,,,,
100.015.193,216-711-6,1647-16-1,"1,9-decadiene","deca-1,9-diene",C=CCCCCCCC=C,C=CCCCCCCC=C,"InChI=1/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2",C10H18,,,,,,NLDGJRWPPOSWLC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.194,216-712-1,1647-26-3,(2-bromoethyl)cyclohexane,(2-bromoethyl)cyclohexane,BrCCC1CCCCC1,BrCCC1CCCCC1,"InChI=1/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2",C8H15Br,,,,,,JRQAAYVLPPGEHT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.195,216-713-7,1648-99-3,"(2,2,2-trifluoroethyl)sulphonyl chloride","2,2,2-trifluoroethanesulfonyl chloride",FC(F)(F)CS(=O)(=O)Cl,FC(F)(F)CS(=O)(=O)Cl,"InChI=1/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2",C2H2ClF3O2S,,,,,,CXCHEKCRJQRVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.196,216-714-2,1649-08-7,"1,2-dichloro-1,1-difluoroethane","1,2-dichloro-1,1-difluoroethane",FC(F)(Cl)CCl,FC(F)(Cl)CCl,"InChI=1/C2H2Cl2F2/c3-1-2(4,5)6/h1H2",C2H2Cl2F2,,,,,,SKDFWEPBABSFMG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.199,216-717-9,1652-80-8,"2,2-dichloro-1,1,1,3,3,3-hexafluoropropane","2,2-dichloro-1,1,1,3,3,3-hexafluoropropane",FC(F)(F)C(Cl)(Cl)C(F)(F)F,FC(F)(F)C(Cl)(Cl)C(F)(F)F,"InChI=1/C3Cl2F6/c4-1(5,2(6,7)8)3(9,10)11",C3Cl2F6,,,,,,YVOASHYXFVSAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.200,216-718-4,1652-81-9,"1,1,3-trichloro-1,2,2,3,3-pentafluoropropane","1,1,3-trichloro-1,2,2,3,3-pentafluoropropane",FC(F)(Cl)C(F)(F)C(F)(Cl)Cl,FC(F)(Cl)C(F)(F)C(F)(Cl)Cl,"InChI=1/C3Cl3F5/c4-2(5,9)1(7,8)3(6,10)11",C3Cl3F5,,,,,,PSVOCRUYXNEMNE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.218,216-738-3,1655-51-2,"N-(2,4-dinitrophenyl)-L-tryptophan","N-(2,4-dinitrophenyl)-L-tryptophan",OC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],OC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C17H14N4O6/c22-17(23)15(7-10-9-18-13-4-2-1-3-12(10)13)19-14-6-5-11(20(24)25)8-16(14)21(26)27/h1-6,8-9,15,18-19H,7H2,(H,22,23)",C17H14N4O6,,,,,,LAPUOPKWYOOCKL-HNNXBMFYSA-N,,,,,,,,,,,
100.015.230,216-751-4,1656-63-9,Tridodecyl trithiophosphite,tridodecyl trithiophosphite,CCCCCCCCCCCCSP(SCCCCCCCCCCCC)SCCCCCCCCCCCC,CCCCCCCCCCCCSP(SCCCCCCCCCCCC)SCCCCCCCCCCCC,"InChI=1/C36H75PS3/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",C36H75PS3,,,,,,JZNDMMGBXUYFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.232,216-754-0,1657-16-5,2-[(p-nitrophenyl)azo]acetoacetanilide,2-[(4-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide,CC(=O)C(N=Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc2ccccc2,CC(=O)C(N=Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc2ccccc2,"InChI=1/C16H14N4O4/c1-11(21)15(16(22)17-12-5-3-2-4-6-12)19-18-13-7-9-14(10-8-13)20(23)24/h2-10,15H,1H3,(H,17,22)",C16H14N4O4,,,,,,WTRHKEHRZMLLDH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.243,243-183-4,19614-16-5,2-bromothioanisole,2-methoxybenzenesulfenyl bromide,COc1ccccc1SBr,COc1ccccc1SBr,"InChI=1/C7H7BrOS/c1-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3",C7H7BrS,,,,,,WUKFVPJVGIPEPL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.244,243-185-5,19614-67-6,"N-(2,3-epoxypropyl)-N-ethylaniline",N-ethyl-N-(oxiran-2-ylmethyl)aniline,CCN(CC1CO1)c2ccccc2,CCN(CC1CO1)c2ccccc2,"InChI=1/C11H15NO/c1-2-12(8-11-9-13-11)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3",C11H15NO,,,,,,VRCFZKKIBKCDQH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.247,243-188-1,19619-22-8,"2,4-dicyanoaniline",4-aminoisophthalonitrile,Nc1ccc(cc1C#N)C#N,Nc1ccc(cc1C#N)C#N,"InChI=1/C8H5N3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3H,11H2",C8H5N3,,,,,,IPMNLGOBXWTQRV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.250,243-191-8,19619-58-0,"6-(octyloxy)-1,3,5-triazine-2,4-diamine","6-(octyloxy)-1,3,5-triazine-2,4-diamine",CCCCCCCCOc1nc(N)nc(N)n1,CCCCCCCCOc1nc(N)nc(N)n1,"InChI=1/C11H21N5O/c1-2-3-4-5-6-7-8-17-11-15-9(12)14-10(13)16-11/h2-8H2,1H3,(H4,12,13,14,15,16)",C11H21N5O,,,,,,IRHDBABFPRZYDY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.165,221-081-0,3001-46-5,8-bromoxanthosine,8-bromoxanthosine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(Br)nc3C(=O)NC(=O)Nc23,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(Br)nc3C(=O)NC(=O)Nc23,"InChI=1/C10H11BrN4O6/c11-9-12-3-6(13-10(20)14-7(3)19)15(9)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H2,13,14,19,20)",C10H11BrN4O6,,,,,,YLAPSBFYSPSPLA-UMMCILCDSA-N,,,,,,,,,,,
100.019.166,221-082-6,3001-61-4,"4,5-dihydroxy-1,3-bis(methoxymethyl)imidazolidin-2-one","4,5-dihydroxy-1,3-bis(methoxymethyl)imidazolidin-2-one",COCN1C(O)C(O)N(COC)C1=O,COCN1C(O)C(O)N(COC)C1=O,"InChI=1/C7H14N2O5/c1-13-3-8-5(10)6(11)9(4-14-2)7(8)12/h5-6,10-11H,3-4H2,1-2H3",C7H14N2O5,,,,,,LATROIIBXZFCTH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.167,221-083-1,3001-63-6,(3-chloro-2-hydroxypropyl)dimethyloctadecylammonium chloride,"N-(3-chloro-2-hydroxypropyl)-N,N-dimethyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CCl,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CCl,"InChI=1/C23H49ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(2,3)22-23(26)21-24;/h23,26H,4-22H2,1-3H3;1H/q+1;/p-1",C23H49ClNO.Cl,,,,,,QIKIJFUVHGOQOK-UHFFFAOYSA-M,,,,,,,,,,,
100.019.177,221-094-1,3002-24-2,"Hexane-2,4-dione","hexane-2,4-dione",CCC(=O)CC(=O)C,CCC(=O)CC(=O)C,"InChI=1/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3",C6H10O2,,,,,,NDOGLIPWGGRQCO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.180,221-097-8,3002-57-1,"N,N-dimethylheptadecylamine","N,N-dimethylheptadecan-1-amine",CCCCCCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCCCCN(C)C,"InChI=1/C19H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h4-19H2,1-3H3",C19H41N,,,,,,WCVHUIPWSPEOIG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.182,221-099-9,3002-78-6,"5-methyl-1,10-phenanthroline","5-methyl-1,10-phenanthroline",Cc1cc2cccnc2c3ncccc13,Cc1cc2cccnc2c3ncccc13,"InChI=1/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3",C13H10N2,,,,,,UJAQYOZROIFQHO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.681,223-849-0,4096-21-3,1-phenylpyrrolidine,1-phenylpyrrolidine,C1CCN(C1)c2ccccc2,C1CCN(C1)c2ccccc2,"InChI=1/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2",C10H13N,,,,,,VDQQJMHXZCMNMU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.682,223-850-6,4096-34-8,Cyclohex-3-en-1-one,cyclohex-3-en-1-one,O=C1CCC=CC1,O=C1CCC=CC1,"InChI=1/C6H8O/c7-6-4-2-1-3-5-6/h1-2H,3-5H2",C6H8O,,,,,,VNLZLLDMKRKVEX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.687,223-855-3,4097-47-6,"4-isopropyl-2,6-dinitrophenol","4-isopropyl-2,6-dinitrophenol",CC(C)c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],CC(C)c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C9H10N2O5/c1-5(2)6-3-7(10(13)14)9(12)8(4-6)11(15)16/h3-5,12H,1-2H3",C9H10N2O5,,,,,,FVMCLNZPDUOPJC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.688,223-856-9,4097-49-8,"4-tert-butyl-2,6-dinitrophenol","4-tert-butyl-2,6-dinitrophenol",CC(C)(C)c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],CC(C)(C)c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5/c1-10(2,3)6-4-7(11(14)15)9(13)8(5-6)12(16)17/h4-5,13H,1-3H3",C10H12N2O5,,,,,,NJBDTWSOYUZQPM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.695,223-864-2,4099-81-4,5'-deoxy-5'-iodoadenosine,5'-deoxy-5'-iodoadenosine,Nc1ncnc2c1ncn2[C@@H]3O[C@H](CI)[C@@H](O)[C@H]3O,Nc1ncnc2c1ncn2[C@@H]3O[C@H](CI)[C@@H](O)[C@H]3O,"InChI=1/C10H12IN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)",C10H12IN5O3,,,,,,FUWWLIOFNXNKQR-KQYNXXCUSA-N,,,,,,,,,,,
100.021.698,223-867-9,4100-19-0,"1,2,3-thiadiazole-5-carbohydrazide","1,2,3-thiadiazole-5-carbohydrazide",NNC(=O)c1cnns1,NNC(=O)c1cnns1,"InChI=1/C3H4N4OS/c4-6-3(8)2-1-5-7-9-2/h1H,4H2,(H,6,8)",C3H4N4OS,,,,,,DHTBORBAEQJWLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.704,223-874-7,4104-14-7,Phosacetim,"O,O-bis(4-chlorophenyl) ethanimidoylamidothiophosphate",CC(=N)NP(=S)(Oc1ccc(Cl)cc1)Oc2ccc(Cl)cc2,CC(=N)NP(=S)(Oc1ccc(Cl)cc1)Oc2ccc(Cl)cc2,"InChI=1/C14H13Cl2N2O2PS/c1-10(17)18-21(22,19-13-6-2-11(15)3-7-13)20-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18,22)",C14H13Cl2N2O2PS,,,,,,XIBXUAZIZXDFTG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.709,223-879-4,8/12/4105,"(1S*,3S*)-[1a,2a,4a,6a]-3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol","3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol",CC1C2CC(CC2C3CCC[C@H](O)C3)C1(C)C,CC1C2CC(CC2C3CCC[C@H](O)C3)C1(C)C,"InChI=1/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3",C16H28O,,,,,,BWVZAZPLUTUBKD-YVQUARKKSA-N,,,,,,,,,,,
100.021.716,223-887-8,4108-61-6,7-amino-3-phenyl-2-benzopyrone,7-amino-3-phenyl-2H-chromen-2-one,Nc1ccc2C=C(C(=O)Oc2c1)c3ccccc3,Nc1ccc2C=C(C(=O)Oc2c1)c3ccccc3,"InChI=1/C15H11NO2/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9H,16H2",C15H11NO2,,,,,,IJCLOOKYCQWSJA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.718,223-889-9,4110-35-4,"3,5-dinitrobenzonitrile","3,5-dinitrobenzonitrile",[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C#N,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C#N,InChI=1/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,C7H3N3O4,,,,,,SSDNULNTQAUNFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.720,223-892-5,4/08/4111,2-hydroxy-2-methylbutyronitrile,2-hydroxy-2-methylbutanenitrile,CCC(C)(O)C#N,CCC(C)(O)C#N,"InChI=1/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3",C5H9NO,,,,,,VMEHOTODTPXCKT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.910,221-900-1,5/11/3272,Epoxysuccinic acid,"oxirane-2,3-dicarboxylic acid",OC(=O)C1OC1C(=O)O,OC(=O)C1OC1C(=O)O,"InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)",C4H4O5,,,,,,DCEMCPAKSGRHCN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.912,221-902-2,3274-29-1,2-ethylheptanoic acid,2-ethylheptanoic acid,CCCCCC(CC)C(=O)O,CCCCCC(CC)C(=O)O,"InChI=1/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",C9H18O2,,,,,,DYWSVUBJGFTOQC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.918,221-909-0,3278-22-6,"1,1'-[methylenebis(sulphonyl)]diethylene","1,1'-(methylenedisulfonyl)diethene",C=CS(=O)(=O)CS(=O)(=O)C=C,C=CS(=O)(=O)CS(=O)(=O)C=C,"InChI=1/C5H8O4S2/c1-3-10(6,7)5-11(8,9)4-2/h3-4H,1-2,5H2",C5H8O4S2,,,,,,IJHIIHORMWQZRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.928,221-920-0,3280-71-5,2-amino-4-sec-butylphenol,2-amino-4-sec-butylphenol,CCC(C)c1ccc(O)c(N)c1,CCC(C)c1ccc(O)c(N)c1,"InChI=1/C10H15NO/c1-3-7(2)8-4-5-10(12)9(11)6-8/h4-7,12H,3,11H2,1-2H3",C10H15NO,,,,,,XKJRYOAGNVYYIU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.930,221-922-1,3282-56-2,1-tert-butyl-4-nitrobenzene,1-tert-butyl-4-nitrobenzene,CC(C)(C)c1ccc(cc1)[N+](=O)[O-],CC(C)(C)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H13NO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7H,1-3H3",C10H13NO2,,,,,,XSCPVQNNFLHGHY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.932,221-924-2,3282-75-5,2-aminoethyl oleate,2-aminoethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCN,CCCCCCCC\C=C/CCCCCCCC(=O)OCCN,"InChI=1/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10H,2-8,11-19,21H2,1H3",C20H39NO2,,,,,,VPHOSDZKGZRSAI-KTKRTIGZSA-N,,,,,,,,,,,
100.019.936,221-928-4,3283-17-8,"6-pentyl-1,3,5-triazine-2,4-diamine","6-pentyl-1,3,5-triazine-2,4-diamine",CCCCCc1nc(N)nc(N)n1,CCCCCc1nc(N)nc(N)n1,"InChI=1/C8H15N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2-5H2,1H3,(H4,9,10,11,12,13)",C8H15N5,,,,,,PJGTYLODAXOMPC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.940,221-933-1,3284-85-3,"[1R(1a,3a,4a,5a)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-ol",1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol,CC(C)C12CC(O)C(C)C1C2,CC(C)C12CC(O)C(C)C1C2,"InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,DZVXRFMREAADPP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.896,220-785-5,2898-84-2,"2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid","2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid",OC(=O)c3ccccc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,OC(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C17H14N4O3/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24/h2-10,15H,1H3,(H,23,24)",C17H14N4O3,,,,,,JHMOLDMNRXZOMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.897,220-786-0,2899-28-7,Ethyl L-tryptophanate monohydrochloride,ethyl L-tryptophanate hydrochloride,Cl.CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,Cl.CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,"InChI=1/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H",C13H16N2O2.ClH,,,,,,PESYCVVSLYSXAK-MERQFXBCSA-N,,,,,,,,,,,
100.018.905,220-794-4,2901-90-8,Tetraethyl thioperoxydiphosphate,-,CCOP(=S)(OCC)SSP(=S)(OCC)OCC,CCOP(=S)(OCC)SSP(=S)(OCC)OCC,"InChI=1/C8H20O4P2S4/c1-5-9-13(15,10-6-2)17-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3",C8H20O4P2S4,,,,,,PJRVPYZPSNFUPX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.906,220-796-5,2902-64-9,"Methyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate","methyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate",COC(=O)c1ccc2C(=O)OC(=O)c2c1,COC(=O)c1ccc2C(=O)OC(=O)c2c1,"InChI=1/C10H6O5/c1-14-8(11)5-2-3-6-7(4-5)10(13)15-9(6)12/h2-4H,1H3",C10H6O5,,,,,,JWKWYRVXHBOBRF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.907,220-797-0,2902-96-7,2-nitropropan-1-ol,2-nitropropan-1-ol,CC(CO)[N+](=O)[O-],CC(CO)[N+](=O)[O-],"InChI=1/C3H7NO3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3",C3H7NO3,,,,,,PCNWBUOSTLGPMI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.913,220-803-1,2904-41-8,"3,3',3''-(trioxo-1,3,5-triazinetriyl)tri(propionic acid)","3,3',3''-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoic acid",OC(=O)CCN1C(=O)N(CCC(=O)O)C(=O)N(CCC(=O)O)C1=O,OC(=O)CCN1C(=O)N(CCC(=O)O)C(=O)N(CCC(=O)O)C1=O,"InChI=1/C12H15N3O9/c16-7(17)1-4-13-10(22)14(5-2-8(18)19)12(24)15(11(13)23)6-3-9(20)21/h1-6H2,(H,16,17)(H,18,19)(H,20,21)",C12H15N3O9,,,,,,HENCHDCLZDQGIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.914,220-804-7,2904-60-1,"Tetramethylterephthalonitrile N,N'-dioxide","[(2,3,5,6-tetramethyl-1,4-phenylene)dimethylylidyne]bis(azane) dioxide",Cc1c(C)c(C#N=O)c(C)c(C)c1C#N=O,Cc1c(C)c(C#N=O)c(C)c(C)c1C#N=O,InChI=1/C12H12N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h1-4H3,C12H12N2O2,,,,,,RPJCZVIYUCJOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.915,220-805-2,2904-62-3,"2,6-dichlorobenzonitrile N-oxide","[(2,6-dichlorophenyl)methylidyne]azane oxide",Clc1cccc(Cl)c1C#N=O,Clc1cccc(Cl)c1C#N=O,InChI=1/C7H3Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-3H,C7H3Cl2NO,,,,,,XACGZMBUDCYGPB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.916,220-806-8,2905-17-1,"Di(2,6-xylyl) disulphide","1,1'-disulfanediylbis(2,6-dimethylbenzene)",Cc1cccc(C)c1SSc2c(C)cccc2C,Cc1cccc(C)c1SSc2c(C)cccc2C,"InChI=1/C16H18S2/c1-11-7-5-8-12(2)15(11)17-18-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3",C16H18S2,,,,,,LKOHGPFWLCKZQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.224,245-363-8,22981-54-0,Trimethyl-3-[(1-oxododecyl)amino]propylammonium chloride,"3-(dodecanoylamino)-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C,"InChI=1/C18H38N2O.ClH/c1-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(2,3)4;/h5-17H2,1-4H3;1H",C18H39N2O.Cl,,,,,,DXQIEHOBXIEJFN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.237,245-377-4,23008-56-2,N-(4-chlorophenyl)-2-nitroaniline,N-(4-chlorophenyl)-2-nitroaniline,[O-][N+](=O)c1ccccc1Nc2ccc(Cl)cc2,[O-][N+](=O)c1ccccc1Nc2ccc(Cl)cc2,"InChI=1/C12H9ClN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H",C12H9ClN2O2,,,,,,RCLKXSIRDRWUGX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.242,245-383-7,23022-51-7,2-[2-(2-hydroxyethoxy)ethoxy]ethyl benzoate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl benzoate,OCCOCCOCCOC(=O)c1ccccc1,OCCOCCOCCOC(=O)c1ccccc1,"InChI=1/C13H18O5/c14-6-7-16-8-9-17-10-11-18-13(15)12-4-2-1-3-5-12/h1-5,14H,6-11H2",C13H18O5,,,,,,SQOOCOWOFKBMOB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.243,245-384-2,23023-13-4,"1-(1,3-benzodioxol-5-yl)butan-2-one","1-(1,3-benzodioxol-5-yl)butan-2-one",CCC(=O)Cc1ccc2OCOc2c1,CCC(=O)Cc1ccc2OCOc2c1,"InChI=1/C11H12O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6H,2,5,7H2,1H3",C11H12O3,,,,,,SWKXHWCUDGJLNA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.245,245-386-3,23031-32-5,Terbutaline sulphate,"5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol sulfate (2:1) (salt)",CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c2cc(O)cc(O)c2.OS(=O)(=O)O,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c2cc(O)cc(O)c2.OS(=O)(=O)O,"InChI=1/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)",C12H19NO3.1/2H2O4S,,,,,,KFVSLSTULZVNPG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.881,247-185-6,25680-59-5,3-isopropyl-(1H)-pyrazin-2-one,3-isopropylpyrazin-2(1H)-one,CC(C)C1=NC=CNC1=O,CC(C)C1=NC=CNC1=O,"InChI=1/C7H10N2O/c1-5(2)6-7(10)9-4-3-8-6/h3-5H,1-2H3,(H,9,10)",C7H10N2O,,,,,,DZWQRZCJQHBJRI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.883,247-187-7,25687-72-3,"trans-(±)-2,4-dimethyl-2-phenyl-1,3-dioxolane","2,4-dimethyl-2-phenyl-1,3-dioxolane",CC1COC(C)(O1)c2ccccc2,CC1COC(C)(O1)c2ccccc2,"InChI=1/C11H14O2/c1-9-8-12-11(2,13-9)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O2,,,,,,CIHKNVXTQCYONS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.192,221-110-7,3006-82-4,tert-butyl 2-ethylperoxyhexanoate,tert-butyl 2-ethylhexaneperoxoate,CCCCC(CC)C(=O)OOC(C)(C)C,CCCCC(CC)C(=O)OOC(C)(C)C,"InChI=1/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3",C12H24O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14582,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.192,WYKYCHHWIJXDAO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.193,221-111-2,3006-86-8,Cyclohexylidenebis[tert-butyl] peroxide,"1,1-bis(tert-butylperoxy)cyclohexane",CC(C)(C)OOC1(CCCCC1)OOC(C)(C)C,CC(C)(C)OOC1(CCCCC1)OOC(C)(C)C,"InChI=1/C14H28O4/c1-12(2,3)15-17-14(10-8-7-9-11-14)18-16-13(4,5)6/h7-11H2,1-6H3",C14H28O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5875,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.193,HSLFISVKRDQEBY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.201,221-120-1,3007-97-4,Ethyl 1-naphthoate,ethyl 1-naphthoate,CCOC(=O)c1cccc2ccccc12,CCOC(=O)c1cccc2ccccc12,"InChI=1/C13H12O2/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3",C13H12O2,,,,,,XCTLDQQOHIEUCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.203,221-122-2,3008-43-3,"3-methylcyclohexane-1,2-dione","3-methylcyclohexane-1,2-dione",CC1CCCC(=O)C1=O,CC1CCCC(=O)C1=O,"InChI=1/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3",C7H10O2,,,,,,JDXJKLGWPNXSHL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.204,221-123-8,3008-50-2,"2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate","3-(octanoyloxy)-2,2-bis[(octanoyloxy)methyl]propyl octanoate (non-preferred name)",CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,"InChI=1/C37H68O8/c1-5-9-13-17-21-25-33(38)42-29-37(30-43-34(39)26-22-18-14-10-6-2,31-44-35(40)27-23-19-15-11-7-3)32-45-36(41)28-24-20-16-12-8-4/h5-32H2,1-4H3",C37H68O8,,,,,,CFRNDJFRRKMHTL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.205,221-124-3,3008-76-2,"1,5-bis[[4-(dimethylamino)phenyl]amino]anthraquinone","1,5-bis{[4-(dimethylamino)phenyl]amino}-9,10-anthraquinone",CN(C)c1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(cc5)N(C)C)cccc4C(=O)c23)cc1,CN(C)c1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(cc5)N(C)C)cccc4C(=O)c23)cc1,"InChI=1/C30H28N4O2/c1-33(2)21-15-11-19(12-16-21)31-25-9-5-7-23-27(25)29(35)24-8-6-10-26(28(24)30(23)36)32-20-13-17-22(18-14-20)34(3)4/h5-18,31-32H,1-4H3",C30H28N4O2,,,,,,MPORBOAYQHWUMK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.211,221-131-1,5/03/3010,Piperidine-1-acetonitrile,piperidin-1-ylacetonitrile,N#CCN1CCCCC1,N#CCN1CCCCC1,"InChI=1/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2",C7H12N2,,,,,,CLVBVRODHJFTGF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.212,221-132-7,6/04/3010,(butylamino)acetonitrile,(butylamino)acetonitrile,CCCCNCC#N,CCCCNCC#N,"InChI=1/C6H12N2/c1-2-3-5-8-6-4-7/h8H,2-3,5-6H2,1H3",C6H12N2,,,,,,SPMMZKAWNAKPJM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.213,221-133-2,3010-23-9,"4,5-dihydro-2-heptadecyl-1H-imidazole-1-ethylamine","2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCCCCCCCCCCCC1=NCCN1CCN,CCCCCCCCCCCCCCCCCC1=NCCN1CCN,"InChI=1/C22H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h2-21,23H2,1H3",C22H45N3,,,,,,ZDESIKLNPAKKBA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.223,221-144-2,3012-37-1,Benzyl thiocyanate,benzyl thiocyanate,N#CSCc1ccccc1,N#CSCc1ccccc1,"InChI=1/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2",C8H7NS,,,,,,ABNDFSOIUFLJAH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.264,243-206-8,19659-80-4,3-amino-a-(methylamino)toluene-4-sulphonic acid,2-amino-4-[(methylamino)methyl]benzenesulfonic acid,CNCc1ccc(c(N)c1)S(=O)(=O)O,CNCc1ccc(c(N)c1)S(=O)(=O)O,"InChI=1/C8H12N2O3S/c1-10-5-6-2-3-8(7(9)4-6)14(11,12)13/h2-4,10H,5,9H2,1H3,(H,11,12,13)",C8H12N2O3S,,,,,,RCSKWERUNIWHAD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.273,243-216-2,19666-36-5,"2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one hydrochloride","2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride",Cl.Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2,Cl.Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2,"InChI=1/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H",C19H22ClN5O.xClH,,,,,,OHHDIOKRWWOXMT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.749,249-239-4,28804-67-3,Tetrachloronitrobenzene,"1,2,4,5-tetrachloro-3-nitrobenzene",[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,InChI=1/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H,C6HCl4NO2,,,,,,XQTLDIFVVHJORV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.507,243-474-6,20034-29-1,N-(3-methoxypropyl)naphthalen-1-amine,N-(3-methoxypropyl)naphthalen-1-amine,COCCCNc1cccc2ccccc12,COCCCNc1cccc2ccccc12,"InChI=1/C14H17NO/c1-16-11-5-10-15-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11H2,1H3",C14H17NO,,,,,,VACJVUOWDORTJD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.513,243-480-9,20045-09-4,"(3ß,5ß)-3-[(2,6-dideoxy-3,4-di-O-methyl-ß-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide","3-[(2,6-dideoxy-3,4-di-O-methylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide",COC1CC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)OC(C)C1OC,COC1CC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)OC(C)C1OC,"InChI=1/C31H48O9/c1-18-27(37-4)24(36-3)14-26(39-18)40-20-5-10-29(17-32)22-6-9-28(2)21(19-13-25(33)38-16-19)8-12-31(28,35)23(22)7-11-30(29,34)15-20/h13,18,20-24,26-27,32,34-35H,5-12,14-17H2,1-4H3",C31H48O9,,,,,,VGZQSTTXBJBTFN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.514,243-481-4,20045-26-5,"3ß-[(2,6-dideoxy-3,4-O-isopropylidene-ß-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxy-5ß-card-20(22)-enolide","3-[(2,6-dideoxy-3,4-O-isopropylidenehexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide",CC1OC(CC2OC(C)(C)OC12)OC3CCC4(CO)C5CCC6(C)C(CCC6(O)C5CCC4(O)C3)C7=CC(=O)OC7,CC1OC(CC2OC(C)(C)OC12)OC3CCC4(CO)C5CCC6(C)C(CCC6(O)C5CCC4(O)C3)C7=CC(=O)OC7,"InChI=1/C32H48O9/c1-18-27-24(40-28(2,3)41-27)14-26(38-18)39-20-5-10-30(17-33)22-6-9-29(4)21(19-13-25(34)37-16-19)8-12-32(29,36)23(22)7-11-31(30,35)15-20/h13,18,20-24,26-27,33,35-36H,5-12,14-17H2,1-4H3",C32H48O9,,,,,,ODZGQIFPCJZJHC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.516,243-484-0,20048-92-4,1-ethyl-2-methylquinolinium toluene-p-sulphonate,1-ethyl-2-methylquinolinium 4-methylbenzenesulfonate,CC[n+]1c(C)ccc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[n+]1c(C)ccc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C12H14N.C7H8O3S/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C12H14N.C7H7O3S,,,,,,WUMNSSKPKRSZJL-UHFFFAOYSA-M,,,,,,,,,,,
100.039.526,243-495-0,20063-92-7,(E)-non-3-ene,non-3-ene,CCCCC\\C=C\\CC,CCCCC\C=C\CC,"InChI=1/C9H18/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3",C9H18,,,,,,YCBSHDKATAPNIA-FNORWQNLSA-N,,,,,,,,,,,
100.022.488,224-735-3,4467-68-9,(S)-2-amino-N-(4-methoxy-2-naphthyl)-4-methylvaleramide monohydrochloride,N-(4-methoxy-2-naphthyl)-L-leucinamide hydrochloride,Cl.COc1cc(NC(=O)[C@@H](N)CC(C)C)cc2ccccc12,Cl.COc1cc(NC(=O)[C@@H](N)CC(C)C)cc2ccccc12,"InChI=1/C17H22N2O2.ClH/c1-11(2)8-15(18)17(20)19-13-9-12-6-4-5-7-14(12)16(10-13)21-3;/h4-7,9-11,15H,8,18H2,1-3H3,(H,19,20);1H",C17H22N2O2.ClH,,,,,,NECOEODWTUWPBP-RSAXXLAASA-N,,,,,,,,,,,
100.022.492,224-740-0,4469-80-1,4-propoxyaniline,4-propoxyaniline,CCCOc1ccc(N)cc1,CCCOc1ccc(N)cc1,"InChI=1/C9H13NO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7,10H2,1H3",C9H13NO,,,,,,DWOIGSLSPPLRKO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.493,224-741-6,4470-72-8,"Disodium 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].COc1nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(OC)nc(n4)N(CCO)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(CCO)CCO,[Na+].[Na+].COc1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(OC)nc(n4)N(CCO)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(CCO)CCO,"InChI=1/C30H38N10O12S2.2Na/c1-51-29-35-25(33-27(37-29)39(9-13-41)10-14-42)31-21-7-5-19(23(17-21)53(45,46)47)3-4-20-6-8-22(18-24(20)54(48,49)50)32-26-34-28(38-30(36-26)52-2)40(11-15-43)12-16-44;;/h3-8,17-18,41-44H,9-16H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38);;/q;2*+1/p-2",C30H38N10O12S2.2Na,,,,,,HYNVEGJIWYGFFL-CZEFNJPISA-L,,,,,,,,,,,
100.021.726,223-898-8,4112-89-4,2-methoxyphenyl phenylacetate,2-methoxyphenyl phenylacetate,COc1ccccc1OC(=O)Cc2ccccc2,COc1ccccc1OC(=O)Cc2ccccc2,"InChI=1/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3",C15H14O3,,,,,,KNVYLIIBQXVDKC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.699,242-586-2,18800-51-6,"2,3-dimethylbenzenethiol","2,3-dimethylbenzenethiol",Cc1cccc(S)c1C,Cc1cccc(S)c1C,"InChI=1/C8H10S/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3",C8H10S,,,,,,NDKJATAIMQKTPM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.703,242-590-4,18803-12-8,Trihexylphosphine sulphide,trihexylphosphine sulfide,CCCCCCP(=S)(CCCCCC)CCCCCC,CCCCCCP(=S)(CCCCCC)CCCCCC,"InChI=1/C18H39PS/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",C18H39PS,,,,,,YYUMUXVIMGKOQE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.704,242-592-5,18803-77-5,Dicyclohexyl azelate,dicyclohexyl azelaate,O=C(CCCCCCCC(=O)OC1CCCCC1)OC2CCCCC2,O=C(CCCCCCCC(=O)OC1CCCCC1)OC2CCCCC2,"InChI=1/C21H36O4/c22-20(24-18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(23)25-19-14-8-5-9-15-19/h18-19H,1-17H2",C21H36O4,,,,,,WDBJAELSRFRZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.705,242-593-0,18803-78-6,Dinonyl azelate,dinonyl azelaate,CCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCC,CCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCC,"InChI=1/C27H52O4/c1-3-5-7-9-11-16-20-24-30-26(28)22-18-14-13-15-19-23-27(29)31-25-21-17-12-10-8-6-4-2/h3-25H2,1-2H3",C27H52O4,,,,,,KAKCWCBEABKVPK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.710,242-598-8,18819-96-0,"O,O-dioctadecyl hydrogen dithiophosphate","O,O-dioctadecyl hydrogen dithiophosphate",CCCCCCCCCCCCCCCCCCOP(=S)(S)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOP(=S)(S)OCCCCCCCCCCCCCCCCCC,"InChI=1/C36H75O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(40,41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,40,41)",C36H75O2PS2,,,,,,HBLUTSPORGTSEC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.719,242-608-0,18829-55-5,(E)-hept-2-enal,hept-2-enal,CCCC\\C=C\\C=O,CCCC\C=C\C=O,"InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3",C7H12O,,,,,,NDFKTBCGKNOHPJ-AATRIKPKSA-N,,,,,,,,,,,
100.038.734,242-624-8,18854-01-8,"O,O-diethyl O-5-phenylisoxazol-3-ylphosphorothioate","O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate",CCOP(=S)(OCC)Oc1cc(on1)c2ccccc2,CCOP(=S)(OCC)Oc1cc(on1)c2ccccc2,"InChI=1/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",C13H16NO4PS,,,,,,SDMSCIWHRZJSRN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.735,242-625-3,18854-51-8,1-[2-(allyloxy)ethoxy]butane,1-[2-(allyloxy)ethoxy]butane,CCCCOCCOCC=C,CCCCOCCOCC=C,"InChI=1/C9H18O2/c1-3-5-7-11-9-8-10-6-4-2/h4H,2-3,5-9H2,1H3",C9H18O2,,,,,,RVZOYGPNLXRIEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.741,242-632-1,18860-06-5,2-cyclohexyl-5-phenyloxazole,"2-cyclohexyl-5-phenyl-1,3-oxazole",C1CCC(CC1)c2oc(cn2)c3ccccc3,C1CCC(CC1)c2oc(cn2)c3ccccc3,"InChI=1/C15H17NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2",C15H17NO,,,,,,FAYWCJSYKSOODM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.220,245-359-6,22972-98-1,(±)-1-[o-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,1-[2-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1ccccc1OCC=C,CC(C)NCC(O)COc1ccccc1OCC=C,"InChI=1/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",C15H23NO3,,,,,,CEMAWMOMDPGJMB-UHFFFAOYSA-N,Positive,AU220906;EQ312801|EQ312802|EQ312803|EQ312804|EQ312805|EQ312806,[M+H]+;[M+H]+,CIDRAMP 20.3-30.5;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,195.0916:72.08:209.1068;266.1756:72.0808:225.1363|72.0808:116.1071:56.0496|72.0808:56.0496:58.0652|72.0808:56.0496:58.0652|72.0808:56.0496:58.0653|56.0496:72.0808:58.0652,Athens_Univ;Eawag,,,,,
100.041.228,245-368-5,22986-69-2,Tritriacontan-17-one,tritriacontan-17-one,CCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCC,"InChI=1/C33H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C33H66O,,,,,,ODRZDGZUYNRFMX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.233,245-373-2,22992-96-7,Copper palmitate,copper(1+) palmitate,[Cu+].CCCCCCCCCCCCCCCC(=O)[O-],[Cu+].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C16H32O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1",C16H32O2.xCu,,,,,,FOMJPIGTKDPIPD-UHFFFAOYSA-M,,,,,,,,,,,
100.041.236,245-376-9,23003-30-7,2-iodo-6-methylpyridin-3-ol,2-iodo-6-methylpyridin-3-ol,Cc1ccc(O)c(I)n1,Cc1ccc(O)c(I)n1,"InChI=1/C6H6INO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3",C6H6INO,,,,,,HRZOWBGCOJWHDY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.239,245-380-0,23012-11-5,"2,5-dimethyloxazole","2,5-dimethyl-1,3-oxazole",Cc1oc(C)nc1,Cc1oc(C)nc1,"InChI=1/C5H7NO/c1-4-3-6-5(2)7-4/h3H,1-2H3",C5H7NO,,,,,,NSAUQTCATRWAJC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.241,245-382-1,23015-40-9,"4,4',6,6'-tetrabromo-2'-hydroxy[1,1'-biphenyl]-2-yl dihydrogen phosphate","2',4,4',6-tetrabromo-6'-hydroxybiphenyl-2-yl dihydrogen phosphate",Brc2cc(Br)cc(OP(O)(=O)O)c2c1c(Br)cc(Br)cc1O,Brc2cc(Br)cc(OP(O)(=O)O)c2c1c(Br)cc(Br)cc1O,"InChI=1/C12H7Br4O5P/c13-5-1-7(15)11(9(17)3-5)12-8(16)2-6(14)4-10(12)21-22(18,19)20/h1-4,17H,(H2,18,19,20)",C12H7Br4O5P,,,,,,GGGATFRVOBEKQO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.249,245-391-0,23037-20-9,"4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile","4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile",CC1(C)CC(O)(CC(C)(C)N1)C#N,CC1(C)CC(O)(CC(C)(C)N1)C#N,"InChI=1/C10H18N2O/c1-8(2)5-10(13,7-11)6-9(3,4)12-8/h12-13H,5-6H2,1-4H3",C10H18N2O,,,,,,KGVCQNVBXRSVIN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.917,220-807-3,2905-23-9,2-chlorobenzenesulphonyl chloride,2-chlorobenzenesulfonyl chloride,Clc1ccccc1S(=O)(=O)Cl,Clc1ccccc1S(=O)(=O)Cl,"InChI=1/C6H4Cl2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H",C6H4Cl2O2S,,,,,,KMVZDSQHLDGKGV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.922,220-813-6,2905-62-6,"3,5-dichlorobenzoyl chloride","3,5-dichlorobenzoyl chloride",ClC(=O)c1cc(Cl)cc(Cl)c1,ClC(=O)c1cc(Cl)cc(Cl)c1,InChI=1/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,C7H3Cl3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5468,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.922,GGHLXLVPNZMBQR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.927,220-818-3,2906-60-7,"4,4'-dithiodibutyric acid","4,4'-disulfanediyldibutanoic acid",OC(=O)CCCSSCCCC(=O)O,OC(=O)CCCSSCCCC(=O)O,"InChI=1/C8H14O4S2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)",C8H14O4S2,,,,,,YYSCJLLOWOUSHH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.939,220-831-4,2914-77-4,2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol,2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol,COc1cccc(c1)C2(O)CCCCC2CN(C)C,COc1cccc(c1)C2(O)CCCCC2CN(C)C,"InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3",C16H25NO2,,,,,,TVYLLZQTGLZFBW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.940,220-833-5,2915-44-8,"1,1'-methylenebis[4-azidobenzene]","1,1'-methylenebis(4-azidobenzene)",[N-]=[N+]=Nc1ccc(Cc2ccc(cc2)N=[N+]=[N-])cc1,[N-]=[N+]=Nc1ccc(Cc2ccc(cc2)N=[N+]=[N-])cc1,"InChI=1/C13H10N6/c14-18-16-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17-19-15/h1-8H,9H2",C13H10N6,,,,,,ARKQRZXCXIMZHG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.938,218-631-7,3/07/2208,1-ethoxyethylideneammonium chloride,1-ethoxyethaniminium chloride,[Cl-].CCOC(=[NH2+])C,[Cl-].CCOC(=[NH2+])C,"InChI=1/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H",C4H9NO.ClH,,,,,,WGMHMVLZFAJNOT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.939,218-632-2,2208-15-3,4-bromo-3-hydroxy-2-naphthoic acid,4-bromo-3-hydroxy-2-naphthoic acid,OC(=O)c1cc2ccccc2c(Br)c1O,OC(=O)c1cc2ccccc2c(Br)c1O,"InChI=1/C11H7BrO3/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,13H,(H,14,15)",C11H7BrO3,,,,,,HBUFBIFPUAHIDX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.942,218-635-9,2209-86-1,Loprodiol,"2,2-bis(chloromethyl)propane-1,3-diol",OCC(CO)(CCl)CCl,OCC(CO)(CCl)CCl,"InChI=1/C5H10Cl2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2",C5H10Cl2O2,,,,,,YFESJHPTNWYOCO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.943,218-636-4,9/03/2210,"2-(bromomethyl)-2-methylpropane-1,3-diol","2-(bromomethyl)-2-methylpropane-1,3-diol",CC(CO)(CO)CBr,CC(CO)(CO)CBr,"InChI=1/C5H11BrO2/c1-5(2-6,3-7)4-8/h7-8H,2-4H2,1H3",C5H11BrO2,,,,,,CRXGGNZLPTXQHB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.945,218-639-0,2210-28-8,Propyl methacrylate,propyl methacrylate,CCCOC(=O)C(=C)C,CCCOC(=O)C(=C)C,"InChI=1/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3",C7H12O2,,,,,,NHARPDSAXCBDDR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.947,218-641-1,2210-63-1,Mofebutazone,"4-butyl-1-phenylpyrazolidine-3,5-dione",CCCCC1C(=O)NN(C1=O)c2ccccc2,CCCCC1C(=O)NN(C1=O)c2ccccc2,"InChI=1/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16)",C13H16N2O2,,,,,,REOJLIXKJWXUGB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.949,218-643-2,2210-72-2,[(p-isopropylphenoxy)methyl]oxirane,2-[(4-isopropylphenoxy)methyl]oxirane,CC(C)c1ccc(OCC2CO2)cc1,CC(C)c1ccc(OCC2CO2)cc1,"InChI=1/C12H16O2/c1-9(2)10-3-5-11(6-4-10)13-7-12-8-14-12/h3-6,9,12H,7-8H2,1-2H3",C12H16O2,,,,,,ZKNANXNFSTVHLT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.951,218-645-3,2210-79-9,"2,3-epoxypropyl o-tolyl ether",2-[(2-methylphenoxy)methyl]oxirane,Cc1ccccc1OCC2CO2,Cc1ccccc1OCC2CO2,"InChI=1/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3",C10H12O2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14553,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.951,KFUSXMDYOPXKKT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.953,218-647-4,2211-28-1,4-hydroxy-2-methylnaphthyl benzoate,4-hydroxy-2-methyl-1-naphthyl benzoate,Cc1cc(O)c2ccccc2c1OC(=O)c3ccccc3,Cc1cc(O)c2ccccc2c1OC(=O)c3ccccc3,"InChI=1/C18H14O3/c1-12-11-16(19)14-9-5-6-10-15(14)17(12)21-18(20)13-7-3-2-4-8-13/h2-11,19H,1H3",C18H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16293,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.953,IZDSOVHFCMEEEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.954,218-649-5,2211-31-6,"2-methylnaphthalene-1,4-diyl dibenzoate","2-methylnaphthalene-1,4-diyl dibenzoate",Cc1cc(OC(=O)c2ccccc2)c3ccccc3c1OC(=O)c4ccccc4,Cc1cc(OC(=O)c2ccccc2)c3ccccc3c1OC(=O)c4ccccc4,"InChI=1/C25H18O4/c1-17-16-22(28-24(26)18-10-4-2-5-11-18)20-14-8-9-15-21(20)23(17)29-25(27)19-12-6-3-7-13-19/h2-16H,1H3",C25H18O4,,,,,,BVVDINJVWBJRHY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.959,218-654-2,2211-98-5,Sodium 4-dodecylbenzenesulphonate,sodium 4-dodecylbenzenesulfonate,[Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1",C18H30O3S.Na,,,,,,JHJUUEHSAZXEEO-UHFFFAOYSA-M,,,,,,,,,,,
100.016.964,218-660-5,2212-54-6,"Dodecylammonium (o,p-dichlorophenoxy)acetate","dodecan-1-aminium (2,4-dichlorophenoxy)acetate",CCCCCCCCCCCC[NH3+].[O-]C(=O)COc1ccc(Cl)cc1Cl,CCCCCCCCCCCC[NH3+].[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C12H27N.C8H6Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h2-13H2,1H3;1-3H,4H2,(H,11,12)",C12H27N.C8H6Cl2O3,,,,,,GDOSCZDDZQGBAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.233,221-155-2,3016-97-5,"1,4-dibenzoylbenzene","1,4-phenylenebis(phenylmethanone)",O=C(c1ccccc1)c2ccc(cc2)C(=O)c3ccccc3,O=C(c1ccccc1)c2ccc(cc2)C(=O)c3ccccc3,InChI=1/C20H14O2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-14H,C20H14O2,,,,,,NPENBPVOAXERED-UHFFFAOYSA-N,,,,,,,,,,,
100.019.234,221-156-8,3017-60-5,Cobalt dithiocyanate,cobalt(2+) bis(thiocyanate),[Co+2].[S-]C#N.[S-]C#N,[Co+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Co/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Co,,,,,,INDBQWVYFLTCFF-UHFFFAOYSA-L,,,,,,,,,,,
100.021.732,223-904-9,4115-50-8,Dioctyl tetrasulphide,dioctyltetrasulfane,CCCCCCCCSSSSCCCCCCCC,CCCCCCCCSSSSCCCCCCCC,"InChI=1/C16H34S4/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34S4,,,,,,VAKWIIMMZSTGAI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.735,223-908-0,4116-90-9,"6-bromo-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione","6-bromo-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione",CN1C(=O)c2cccc3c(Br)ccc(C1=O)c23,CN1C(=O)c2cccc3c(Br)ccc(C1=O)c23,"InChI=1/C13H8BrNO2/c1-15-12(16)8-4-2-3-7-10(14)6-5-9(11(7)8)13(15)17/h2-6H,1H3",C13H8BrNO2,,,,,,YOQFUJMBLJZBNE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.738,223-911-7,4/07/4118,"cis-2,5-dimethyl-1,3-dioxolan-4-one","2,5-dimethyl-1,3-dioxolan-4-one",C[C@H]1O[C@@H](C)C(=O)O1,C[C@H]1O[C@@H](C)C(=O)O1,"InChI=1/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3",C5H8O3,,,,,,HZEDJCAGLIJEAI-IMJSIDKUSA-N,,,,,,,,,,,
100.021.740,223-913-8,4119-52-2,Iron tris(thiocyanate),iron(3+) tris(thiocyanate),[Fe+3].[S-]C#N.[S-]C#N.[S-]C#N,[Fe+3].[S-]C#N.[S-]C#N.[S-]C#N,InChI=1/3CHNS.Fe/c3*2-1-3;/h3*3H;/q;;;+3/p-3,CHNS.1/3Fe,,,,,,SUBFIBLJQMMKBK-UHFFFAOYSA-K,,,,,,,,,,,
100.021.743,223-916-4,4121-15-7,Dicyclohexyl sebacate,dicyclohexyl sebacate,O=C(CCCCCCCCC(=O)OC1CCCCC1)OC2CCCCC2,O=C(CCCCCCCCC(=O)OC1CCCCC1)OC2CCCCC2,"InChI=1/C22H38O4/c23-21(25-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(24)26-20-15-9-6-10-16-20/h19-20H,1-18H2",C22H38O4,,,,,,OQCGQYSHNVXOJM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.752,216-227-5,1530-36-5,(2-methylbenzyl)triphenylphosphonium bromide,(2-methylbenzyl)(triphenyl)phosphonium bromide,[Br-].Cc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].Cc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1",C26H24P.Br,,,,,,XDCQNYYELACHOT-UHFFFAOYSA-M,,,,,,,,,,,
100.014.764,216-240-6,1531-25-5,3-methoxymorphinan,3-methoxymorphinan,COc1ccc2C[C@H]3NCC[C@@]4(CCCC[C@@H]34)c2c1,COc1ccc2C[C@H]3NCC[C@@]4(CCCC[C@@H]34)c2c1,"InChI=1/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3",C17H23NO,,,,,,ILNSWVUXAPSPEH-USXIJHARSA-N,,,,,,,,,,,
100.014.765,216-241-1,1531-77-7,"Dibenzo[b,e]thiepin-11(6H)-one","dibenzo[b,e]thiepin-11(6H)-one",O=C1c2ccccc2CSc3ccccc13,O=C1c2ccccc2CSc3ccccc13,"InChI=1/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2",C14H10OS,,,,,,JGJDEWXZEIHBNW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.768,216-244-8,1532-97-4,4-bromoisoquinoline,4-bromoisoquinoline,Brc1cncc2ccccc12,Brc1cncc2ccccc12,InChI=1/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,C9H6BrN,,,,,,SCRBSGZBTHKAHU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.774,216-251-6,1533-78-4,"2,2'-[[3-acetamido-4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]diethyl diacetate","({3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C22H24ClN5O7/c1-14(29)24-22-13-17(27(8-10-34-15(2)30)9-11-35-16(3)31)4-7-21(22)26-25-20-6-5-18(28(32)33)12-19(20)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)",C22H24ClN5O7,,,,,,ORDDDNUMJXPGOC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.776,216-253-7,1534-26-5,Tridecan-3-one,tridecan-3-one,CCCCCCCCCCC(=O)CC,CCCCCCCCCCC(=O)CC,"InChI=1/C13H26O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h3-12H2,1-2H3",C13H26O,,,,,,ZDIXOWNDGFVYNK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.778,216-255-8,1535-67-7,[(difluoromethyl)thio]benzene,[(difluoromethyl)sulfanyl]benzene,FC(F)Sc1ccccc1,FC(F)Sc1ccccc1,"InChI=1/C7H6F2S/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H",C7H6F2S,,,,,,KDNBCPHMQJEQLV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.779,216-256-3,1535-73-5,3-(trifluoromethoxy)aniline,3-(trifluoromethoxy)aniline,Nc1cccc(OC(F)(F)F)c1,Nc1cccc(OC(F)(F)F)c1,"InChI=1/C7H6F3NO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2",C7H6F3NO,,,,,,SADHVOSOZBAAGL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.748,242-640-5,18871-14-2,Tetrahydro-3-pentyl-2H-pyran-4-yl acetate,"3-O-acetyl-1,5-anhydro-2,4-dideoxy-2-pentylpentitol",CCCCCC1COCCC1OC(=O)C,CCCCCC1COCCC1OC(=O)C,"InChI=1/C12H22O3/c1-3-4-5-6-11-9-14-8-7-12(11)15-10(2)13/h11-12H,3-9H2,1-2H3",C12H22O3,,,,,,VSRVCSJJKWDZSH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.875,242-779-1,19045-76-2,Potassium didodecyl phosphate,potassium didodecyl phosphate,[K+].CCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCC,[K+].CCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCC,"InChI=1/C24H51O4P.K/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H,25,26);/q;+1/p-1",C24H51O4P.K,,,,,,YHHPCYZEOOYQKM-UHFFFAOYSA-M,,,,,,,,,,,
100.022.494,224-742-1,4471-37-8,"10,15-dihydroxyanthra[2,1,9-mna]naphth[2,3-h]acridin-5(16H)-one disodium bis(sulphate)","disodium 5-oxo-5,16-dihydroanthra[2,1,9-mna]naphtho[2,3-h]acridine-10,15-diyl disulfate",[Na]OS(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)O[Na])c3c4Nc5ccc6c7ccccc7C(=O)c8ccc(c4ccc13)c5c68,[Na]OS(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)O[Na])c3c4Nc5ccc6c7ccccc7C(=O)c8ccc(c4ccc13)c5c68,"InChI=1/C31H17NO9S2.2Na/c33-29-19-6-2-1-5-15(19)16-13-14-24-26-17(9-11-22(29)25(16)26)18-10-12-23-27(28(18)32-24)31(41-43(37,38)39)21-8-4-3-7-20(21)30(23)40-42(34,35)36;;/h1-14,32H,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/rC31H15NNa2O9S2/c33-42-44(36,37)40-30-20-7-3-4-8-21(20)31(41-45(38,39)43-34)27-23(30)12-10-18-17-9-11-22-25-16(13-14-24(26(17)25)32-28(18)27)15-5-1-2-6-19(15)29(22)35/h1-14,32H",C31H17NO9S2.2Na,,,,,,BXBQXPFZFLGRAQ-UHFFFAOYSA-L,,,,,,,,,,,
100.017.629,219-391-6,2429-82-5,"Disodium 5-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]salicylate",disodium 5-({4'-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)cc5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)cc5,"InChI=1/C29H21N5O7S.2Na/c30-19-6-1-18-13-26(42(39,40)41)27(28(36)23(18)14-19)34-32-21-9-4-17(5-10-21)16-2-7-20(8-3-16)31-33-22-11-12-25(35)24(15-22)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2",C29H21N5O7S.2Na,,,,,,CXAVOCVLMJULES-UHFFFAOYSA-L,,,,,,,,,,,
100.017.631,219-393-7,2429-84-7,"Disodium 5-[[4'-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]salicylate",disodium 5-({4'-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O)cc5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c5ccc(N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O)cc5,"InChI=1/C29H21N5O7S.2Na/c30-24-11-5-18-13-22(42(39,40)41)15-26(36)27(18)28(24)34-32-20-8-3-17(4-9-20)16-1-6-19(7-2-16)31-33-21-10-12-25(35)23(14-21)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2",C29H21N5O7S.2Na,,,,,,YCMOBGSVZYLYBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.017.639,219-402-4,4/12/2432,"2,6-dichloro-p-cresol","2,6-dichloro-4-methylphenol",Cc1cc(Cl)c(O)c(Cl)c1,Cc1cc(Cl)c(O)c(Cl)c1,"InChI=1/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3",C7H6Cl2O,,,,,,YXEOEPYIBGTLML-UHFFFAOYSA-N,,,,,,,,,,,
100.017.640,219-404-5,2432-14-6,"2,6-dibromo-p-cresol","2,6-dibromo-4-methylphenol",Cc1cc(Br)c(O)c(Br)c1,Cc1cc(Br)c(O)c(Br)c1,"InChI=1/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3",C7H6Br2O,,,,,,FIGPGTJKHFAYRK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.646,219-410-8,2432-77-1,S-methyl hexanethioate,S-methyl hexanethioate,CCCCCC(=O)SC,CCCCCC(=O)SC,"InChI=1/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",C7H14OS,,,,,,AKGAHYLJHAOPKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.648,219-412-9,2432-88-4,Didodecyl sebacate,didodecyl sebacate,CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCC,"InChI=1/C34H66O4/c1-3-5-7-9-11-13-15-19-23-27-31-37-33(35)29-25-21-17-18-22-26-30-34(36)38-32-28-24-20-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C34H66O4,,,,,,HIKZOIYUQFYFBB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.651,219-416-0,2432-91-9,sec-butyl 3-methylbutanethioate,S-sec-butyl 3-methylbutanethioate,CCC(C)SC(=O)CC(C)C,CCC(C)SC(=O)CC(C)C,"InChI=1/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3",C9H18OS,,,,,,MQAVHZCNCJTJJP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.656,219-421-8,2434-49-3,Dihydro-6-methyluracil,"6-methyldihydropyrimidine-2,4(1H,3H)-dione",CC1CC(=O)NC(=O)N1,CC1CC(=O)NC(=O)N1,"InChI=1/C5H8N2O2/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)",C5H8N2O2,,,,,,XQLIRTZXJDEQAO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.246,216-769-2,1663-45-2,"Bis(1,2-diphenylphosphino)ethane","ethane-1,2-diylbis(diphenylphosphine)",C(CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,C(CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,"InChI=1/C26H24P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2",C26H24P2,,,,,,QFMZQPDHXULLKC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.380,216-918-1,1698-54-0,"1,2-dihydro-1-phenylpyridazine-3,6-dione","1-phenyl-1,2-dihydropyridazine-3,6-dione",O=C1NN(C(=O)C=C1)c2ccccc2,O=C1NN(C(=O)C=C1)c2ccccc2,"InChI=1/C10H8N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-7H,(H,11,13)",C10H8N2O2,,,,,,KJEBAQNNTMWJJI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.386,216-924-4,1699-56-5,"3,4-bis(benzyloxy)phenethylamine hydrochloride","2-[3,4-bis(benzyloxy)phenyl]ethanamine hydrochloride",Cl.NCCc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1,Cl.NCCc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1,"InChI=1/C22H23NO2.ClH/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20;/h1-12,15H,13-14,16-17,23H2;1H",C22H23NO2.ClH,,,,,,KXIZXPRLNNDQKS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.388,216-927-0,1699-59-8,"3,5-bis(benzyloxy)-a-chlorotoluene","1,3-bis(benzyloxy)-5-(chloromethyl)benzene",ClCc1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,ClCc1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,"InChI=1/C21H19ClO2/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2",C21H19ClO2,,,,,,XUEMEGUYMPJSKL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.390,216-929-1,1700-10-3,"Cycloocta-1,3-diene","cycloocta-1,3-diene",C1CCC=CC=CC1,C1CCC=CC=CC1,"InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2",C8H12,,,,,,RRKODOZNUZCUBN-CCAGOZQPSA-N,,,,,,,,,,,
100.042.875,247-178-8,25677-40-1,2-pentylidenecyclohexan-1-one,2-pentylidenecyclohexanone,O=C1CCCCC1=CCCCC,O=C1CCCCC1=CCCCC,"InChI=1/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h7H,2-6,8-9H2,1H3",C11H18O,,,,,,KTETXLGRNPACFS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.876,247-179-3,25677-83-2,"Bis(oxiranylmethyl) 2,4,4-trimethyladipate","bis(oxiran-2-ylmethyl) 2,4,4-trimethylhexanedioate",CC(CC(C)(C)CC(=O)OCC1CO1)C(=O)OCC2CO2,CC(CC(C)(C)CC(=O)OCC1CO1)C(=O)OCC2CO2,"InChI=1/C15H24O6/c1-10(14(17)21-9-12-7-19-12)4-15(2,3)5-13(16)20-8-11-6-18-11/h10-12H,4-9H2,1-3H3",C15H24O6,,,,,,UYCWWICJTSIJIU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.877,247-180-9,25677-88-7,"Bis(2,3-epoxypropyl) 2,2-dimethylglutarate","bis(oxiran-2-ylmethyl) 2,2-dimethylpentanedioate",CC(C)(CCC(=O)OCC1CO1)C(=O)OCC2CO2,CC(C)(CCC(=O)OCC1CO1)C(=O)OCC2CO2,"InChI=1/C13H20O6/c1-13(2,12(15)19-8-10-6-17-10)4-3-11(14)18-7-9-5-16-9/h9-10H,3-8H2,1-2H3",C13H20O6,,,,,,XFIRMLBRMBPHRH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.884,247-188-2,25687-77-8,"cis-(±)-2,4-dimethyl-2-phenyl-1,3-dioxolane","2,4-dimethyl-2-phenyl-1,3-dioxolane",CC1COC(C)(O1)c2ccccc2,CC1COC(C)(O1)c2ccccc2,"InChI=1/C11H14O2/c1-9-8-12-11(2,13-9)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O2,,,,,,CIHKNVXTQCYONS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.190,221-108-6,3006-13-1,Dodecylethyldimethylammonium ethyl sulphate,"N-ethyl-N,N-dimethyldodecan-1-aminium ethyl sulfate",CCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1/C16H36N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;1-2-6-7(3,4)5/h5-16H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C16H36N.C2H5O4S,,,,,,KQPPJWHBSYEOKV-UHFFFAOYSA-M,,,,,,,,,,,
100.019.194,221-112-8,3006-93-7,"1,1'-(1,3-phenylene)bis-1H-pyrrole-2,5-dione","1,1'-(1,3-phenylene)bis(1H-pyrrole-2,5-dione)",O=C1C=CC(=O)N1c2cccc(c2)N3C(=O)C=CC3=O,O=C1C=CC(=O)N1c2cccc(c2)N3C(=O)C=CC3=O,InChI=1/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H,C14H8N2O4,,,,,,IPJGAEWUPXWFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.195,221-113-3,3007-19-0,(4-tert-butylcyclohexylidene)bis[tert-butyl] peroxide,"4-tert-butyl-1,1-bis(tert-butylperoxy)cyclohexane",CC(C)(C)OOC1(CCC(CC1)C(C)(C)C)OOC(C)(C)C,CC(C)(C)OOC1(CCC(CC1)C(C)(C)C)OOC(C)(C)C,"InChI=1/C18H36O4/c1-15(2,3)14-10-12-18(13-11-14,21-19-16(4,5)6)22-20-17(7,8)9/h14H,10-13H2,1-9H3",C18H36O4,,,,,,MBQBCEOICFPWKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.197,221-115-4,3007-43-0,4-methylquinolinium chloride,4-methylquinolinium chloride,[Cl-].Cc1cc[nH+]c2ccccc12,[Cl-].Cc1cc[nH+]c2ccccc12,"InChI=1/C10H9N.ClH/c1-8-6-7-11-10-5-3-2-4-9(8)10;/h2-7H,1H3;1H",C10H9N.ClH,,,,,,OGNKZBOWNPYIDD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.198,221-117-5,3007-53-2,"N,N-dimethyldodecanamide","N,N-dimethyldodecanamide",CCCCCCCCCCCC(=O)N(C)C,CCCCCCCCCCCC(=O)N(C)C,"InChI=1/C14H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h4-13H2,1-3H3",C14H29NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16315,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.198,BDYUSDIJIDGWCY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.207,221-126-4,9/04/3009,N-butyl-3-chlorosalicylamide,N-butyl-3-chloro-2-hydroxybenzamide,CCCCNC(=O)c1cccc(Cl)c1O,CCCCNC(=O)c1cccc(Cl)c1O,"InChI=1/C11H14ClNO2/c1-2-3-7-13-11(15)8-5-4-6-9(12)10(8)14/h4-6,14H,2-3,7H2,1H3,(H,13,15)",C11H14ClNO2,,,,,,HABQHJCQMQOTGD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.209,221-129-0,3009-97-0,Anilinoacetonitrile,anilinoacetonitrile,N#CCNc1ccccc1,N#CCNc1ccccc1,"InChI=1/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2",C8H8N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1728,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.209,KAXCEFLQAYFJKV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.210,221-130-6,4/02/3010,(diethylamino)acetonitrile,(diethylamino)acetonitrile,CCN(CC)CC#N,CCN(CC)CC#N,"InChI=1/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3",C6H12N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17368,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.210,LVPZSMIBSMMLPI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.215,221-135-3,3010-57-9,"N,N-dimethyl-4-(p-tolylazo)aniline","N,N-dimethyl-4-[(4-methylphenyl)diazenyl]aniline",CN(C)c2ccc(N=Nc1ccc(C)cc1)cc2,CN(C)c2ccc(N=Nc1ccc(C)cc1)cc2,"InChI=1/C15H17N3/c1-12-4-6-13(7-5-12)16-17-14-8-10-15(11-9-14)18(2)3/h4-11H,1-3H3",C15H17N3,,,,,,IPIZWPBCCYXHDW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.225,221-146-3,3012-65-5,"Diammonium hydrogen 2-hydroxypropane-1,2,3-tricarboxylate",diammonium hydrogen citrate,[NH4+].[NH4+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[NH4+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3/p-1",C6H8O7.2H3N,,,,,,YXVFQADLFFNVDS-UHFFFAOYSA-M,,,,,,,,,,,
100.019.226,221-147-9,3013-94-3,"Sodium 2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethanesulphonate","sodium 2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanesulfonate",[Na+].CC(C)(C)CC(C)(C)c1ccc(OCCOCCS(=O)(=O)[O-])cc1,[Na+].CC(C)(C)CC(C)(C)c1ccc(OCCOCCS(=O)(=O)[O-])cc1,"InChI=1/C18H30O5S.Na/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)23-11-10-22-12-13-24(19,20)21;/h6-9H,10-14H2,1-5H3,(H,19,20,21);/q;+1/p-1",C18H30O5S.Na,,,,,,XBMBHKZYEXQONC-UHFFFAOYSA-M,,,,,,,,,,,
100.016.966,218-662-6,2212-75-1,N2-[(phenylmethoxy)carbonyl]-L-lysine,N~2~-[(benzyloxy)carbonyl]-L-lysine,NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C14H20N2O4/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)",C14H20N2O4,,,,,,OJTJKAUNOLVMDX-LBPRGKRZSA-N,,,,,,,,,,,
100.016.967,218-663-1,2212-76-2,"N2-[(benzyloxy)carbonyl]-N6-(tert-butoxycarbonyl)-L-lysine, compound with dicyclohexylamine (1:1)",N~2~-[(benzyloxy)carbonyl]-N~6~-(tert-butoxycarbonyl)-L-lysine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C19H28N2O6.C12H23N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2",C19H28N2O6.C12H23N,,,,,,VTDLJMATIHSOTR-RSAXXLAASA-N,,,,,,,,,,,
100.016.971,218-667-3,2213-63-0,"2,3-dichloroquinoxaline","2,3-dichloroquinoxaline",Clc1nc2ccccc2nc1Cl,Clc1nc2ccccc2nc1Cl,InChI=1/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,C8H4Cl2N2,,,,,,SPSSDDOTEZKOOV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.980,218-677-8,2215-21-6,"3,5-diisopropylsalicylic acid","2-hydroxy-3,5-diisopropylbenzoic acid",CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)O,CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)O,"InChI=1/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)",C13H18O3,,,,,,XUFUYOGWFZSHGE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.981,218-678-3,2215-33-0,Pyridine-2-carbaldehyde-2-pyridylhydrazone,2-(pyridin-2-ylcarbonohydrazonoyl)pyridine,N(N=Cc1ccccn1)c2ccccn2,N(N=Cc1ccccn1)c2ccccn2,"InChI=1/C11H10N4/c1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13-11/h1-9H,(H,13,15)",C11H10N4,,,,,,KYDLWVBNCQERCD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.360,222-395-0,3458-94-4,(S)-4-(2-amino-1-hydroxyethyl)pyrocatechol hydrochloride,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol hydrochloride",Cl.NC[C@@H](O)c1ccc(O)c(O)c1,Cl.NC[C@@H](O)c1ccc(O)c(O)c1,"InChI=1/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H",C8H11NO3.ClH,,,,,,FQTFHMSZCSUVEU-DDWIOCJRSA-N,,,,,,,,,,,
100.020.361,222-396-6,3458-98-8,3-(2-aminoethyl)phenol hydrochloride,3-(2-aminoethyl)phenol hydrochloride,Cl.NCCc1cccc(O)c1,Cl.NCCc1cccc(O)c1,"InChI=1/C8H11NO.ClH/c9-5-4-7-2-1-3-8(10)6-7;/h1-3,6,10H,4-5,9H2;1H",C8H11NO.ClH,,,,,,GTIWCKXKQGMMQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.366,222-401-1,3459-92-5,Dibenzyl carbonate,dibenzyl carbonate,O=C(OCc1ccccc1)OCc2ccccc2,O=C(OCc1ccccc1)OCc2ccccc2,"InChI=1/C15H14O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C15H14O3,,,,,,PIZLBWGMERQCOC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.368,222-403-2,5/11/3460,4-nitrobenzanilide,4-nitro-N-phenylbenzamide,[O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccccc2,[O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccccc2,"InChI=1/C13H10N2O3/c16-13(14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)15(17)18/h1-9H,(H,14,16)",C13H10N2O3,,,,,,KCBREZOWOLOPLW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.373,222-409-5,3460-44-4,1-phenylethyl butyrate,1-phenylethyl butyrate,CCCC(=O)OC(C)c1ccccc1,CCCC(=O)OC(C)c1ccccc1,"InChI=1/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3",C12H16O2,,,,,,GGKADXREVJTZMF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.876,224-063-0,4187-86-4,1-pentyn-3-ol,pent-1-yn-3-ol,CCC(O)C#C,CCC(O)C#C,"InChI=1/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3",C5H8O,,,,,,LBSKEFWQPNVWTP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.877,224-064-6,4187-87-5,1-phenylprop-2-yn-1-ol,1-phenylprop-2-yn-1-ol,OC(C#C)c1ccccc1,OC(C#C)c1ccccc1,"InChI=1/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H",C9H8O,,,,,,UIGLAZDLBZDVBL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.878,224-065-1,4189-44-0,"Thiourea S,S-dioxide",1-(dioxidosulfanylidene)methanediamine,NC(=S(=O)=O)N,NC(=S(=O)=O)N,InChI=1/CH4N2O2S/c2-1(3)6(4)5/h2-3H2,CH4N2O2S,,,,,,KDZCMNKCNXVTIK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.882,224-069-3,4191-73-5,Isopropyl 4-hydroxybenzoate,isopropyl 4-hydroxybenzoate,CC(C)OC(=O)c1ccc(O)cc1,CC(C)OC(=O)c1ccc(O)cc1,"InChI=1/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3",C10H12O3,,,,,,CMHMMKSPYOOVGI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.884,224-071-4,4192-14-7,"O-(4-hydroxy-3,5-diiodophenyl)-L-tyrosine","O-(4-hydroxy-3,5-diiodophenyl)tyrosine",N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)cc1)C(=O)O,N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)cc1)C(=O)O,"InChI=1/C15H13I2NO4/c16-11-6-10(7-12(17)14(11)19)22-9-3-1-8(2-4-9)5-13(18)15(20)21/h1-4,6-7,13,19H,5,18H2,(H,20,21)",C15H13I2NO4,,,,,,LROTZSUGDZPWDN-ZDUSSCGKSA-N,,,,,,,,,,,
100.021.888,224-076-1,4195-17-9,p-nitrophenyl pivalate,4-nitrophenyl pivalate,CC(C)(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],CC(C)(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H13NO4/c1-11(2,3)10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3",C11H13NO4,,,,,,QADVJDGFQGNSIF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.878,242-782-8,19045-79-5,Dipotassium octyl phosphate,dipotassium octyl phosphate,[K+].[K+].CCCCCCCCOP(=O)([O-])[O-],[K+].[K+].CCCCCCCCOP(=O)([O-])[O-],"InChI=1/C8H19O4P.2K/c1-2-3-4-5-6-7-8-12-13(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2",C8H19O4P.2K,,,,,,LPZZAIMVFFLHQU-UHFFFAOYSA-L,,,,,,,,,,,
100.038.880,242-784-9,19047-85-9,Dioctadecyl phosphonate,dioctadecyl phosphonate,CCCCCCCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C36H75O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40H,3-36H2,1-2H3",C36H75O3P,,,,,,LUJKYTUFQMQIBA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.882,242-787-5,19050-48-7,"2,3,5,6-tetrachloro-4-(propylthio)pyridine","2,3,5,6-tetrachloro-4-(propylsulfanyl)pyridine",CCCSc1c(Cl)c(Cl)nc(Cl)c1Cl,CCCSc1c(Cl)c(Cl)nc(Cl)c1Cl,"InChI=1/C8H7Cl4NS/c1-2-3-14-6-4(9)7(11)13-8(12)5(6)10/h2-3H2,1H3",C8H7Cl4NS,,,,,,SFZLAIOIVCOPBG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.884,242-789-6,19056-26-9,Quindecamine,"N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine",Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c4ccccc4n1,Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c4ccccc4n1,"InChI=1/C30H38N4/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34)",C30H38N4,,,,,,GZIJBIYIMDKOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.891,242-796-4,19072-77-6,"2,2'-methylenebis[4,6-di-tert-butyl-m-cresol]","2,2'-methylenebis(4,6-di-tert-butyl-3-methylphenol)",Cc1c(Cc2c(C)c(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(cc1C(C)(C)C)C(C)(C)C,Cc1c(Cc2c(C)c(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(cc1C(C)(C)C)C(C)(C)C,"InChI=1/C31H48O2/c1-18-20(26(32)24(30(9,10)11)16-22(18)28(3,4)5)15-21-19(2)23(29(6,7)8)17-25(27(21)33)31(12,13)14/h16-17,32-33H,15H2,1-14H3",C31H48O2,,,,,,HJZQRZCQTNIROB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.892,242-798-5,19074-24-9,Bis(2-ethylhexyl) dodecanedioate,bis(2-ethylhexyl) dodecanedioate,CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C28H54O4/c1-5-9-19-25(7-3)23-31-27(29)21-17-15-13-11-12-14-16-18-22-28(30)32-24-26(8-4)20-10-6-2/h25-26H,5-24H2,1-4H3",C28H54O4,,,,,,MTPSFISGWJGUGN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.897,242-804-6,19085-09-7,"5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine hydrochloride","5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine hydrochloride",Cl.CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,Cl.CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,"InChI=1/C12H13ClN4.ClH/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;/h3-6H,2H2,1H3,(H4,14,15,16,17);1H",C12H13ClN4.ClH,,,,,,JZCLIFPQURTYFA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.900,242-807-2,19089-55-5,"Disodium hydrogen 3,5-disulphonatobenzoate","disodium hydrogen 3,5-disulfonatobenzoate",[Na+].[Na+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C7H6O8S2.2Na/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15;;/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15);;/q;2*+1/p-3",C7H6O8S2.2Na,,,,,,NCBDBWXOBUXRIC-UHFFFAOYSA-K,,,,,,,,,,,
100.038.904,242-811-4,19093-37-9,(allylsulphinyl)benzene,(allylsulfinyl)benzene,C=CCS(=O)c1ccccc1,C=CCS(=O)c1ccccc1,"InChI=1/C9H10OS/c1-2-8-11(10)9-6-4-3-5-7-9/h2-7H,1,8H2",C9H10OS,,,,,,RLLJHMBTZSGFAS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.905,242-813-5,19094-32-7,2-(ethylsulphonyl)-6-nitrobenzothiazole,"2-(ethylsulfonyl)-6-nitro-1,3-benzothiazole",CCS(=O)(=O)c1nc2ccc(cc2s1)[N+](=O)[O-],CCS(=O)(=O)c1nc2ccc(cc2s1)[N+](=O)[O-],"InChI=1/C9H8N2O4S2/c1-2-17(14,15)9-10-7-4-3-6(11(12)13)5-8(7)16-9/h3-5H,2H2,1H3",C9H8N2O4S2,,,,,,HEWSLJHLRNJJKR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.907,242-815-6,19095-88-6,Sodium 2-(4-chloro-2-methylphenoxy)propionate,sodium 2-(4-chloro-2-methylphenoxy)propanoate,[Na+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],[Na+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.Na/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+1/p-1",C10H11ClO3.Na,,,,,,DHJHUXNTNSRSEX-UHFFFAOYSA-M,,,,,,,,,,,
100.038.909,242-817-7,19098-08-9,Tetradecylguanidine monohydrochloride,1-tetradecylguanidine hydrochloride,Cl.CCCCCCCCCCCCCCNC(=N)N,Cl.CCCCCCCCCCCCCCNC(=N)N,"InChI=1/C15H33N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;/h2-14H2,1H3,(H4,16,17,18);1H",C15H33N3.ClH,,,,,,RDVHHVOTQIQHQO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.912,242-820-3,19104-24-6,8-hydroxy-1-methylquinolinium methyl sulphate,8-hydroxy-1-methylquinolinium methyl sulfate,COS(=O)(=O)[O-].C[n+]1cccc2cccc(O)c12,COS(=O)(=O)[O-].C[n+]1cccc2cccc(O)c12,"InChI=1/C10H9NO.CH4O4S/c1-11-7-3-5-8-4-2-6-9(12)10(8)11;1-5-6(2,3)4/h2-7H,1H3;1H3,(H,2,3,4)",C10H10NO.CH3O4S,,,,,,CHEJLLKYVOCJJE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.889,247-194-5,25704-87-4,"[(2,3-epoxypropoxy)propyl]trimethoxysilane",trimethoxy[1-(oxiran-2-ylmethoxy)propyl]silane,CCC(OCC1CO1)[Si](OC)(OC)OC,CCC(OCC1CO1)[Si](OC)(OC)OC,"InChI=1/C9H20O5Si/c1-5-9(14-7-8-6-13-8)15(10-2,11-3)12-4/h8-9H,5-7H2,1-4H3",C9H20O5Si,,,,,,FNBIAJGPJUOAPB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.393,216-932-8,1700-37-4,3-benzyloxybenzaldehyde,3-(benzyloxy)benzaldehyde,O=Cc1cccc(OCc2ccccc2)c1,O=Cc1cccc(OCc2ccccc2)c1,"InChI=1/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2",C14H12O2,,,,,,JAICGBJIBWDEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.397,216-937-5,1703-52-2,2-ethyl-5-methylfuran,2-ethyl-5-methylfuran,CCc1oc(C)cc1,CCc1oc(C)cc1,"InChI=1/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3",C7H10O,,,,,,NBXLPPVOZWYADY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.400,216-940-1,1704-62-7,2-[2-(dimethylamino)ethoxy]ethanol,2-[2-(dimethylamino)ethoxy]ethanol,CN(C)CCOCCO,CN(C)CCOCCO,"InChI=1/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3",C6H15NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13345,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.400,YSAANLSYLSUVHB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.404,216-944-3,1706-12-3,p-phenoxytoluene,1-methyl-4-phenoxybenzene,Cc1ccc(Oc2ccccc2)cc1,Cc1ccc(Oc2ccccc2)cc1,"InChI=1/C13H12O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3",C13H12O,,,,,,SSTNIXFHCIOCJI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.285,243-229-3,19693-75-5,"2-methoxy-1,3-dioxolane","2-methoxy-1,3-dioxolane",COC1OCCO1,COC1OCCO1,"InChI=1/C4H8O3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3",C4H8O3,,,,,,VRAYTNFBRROPJU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.294,243-239-8,19700-21-1,"[4S-(4a,4aa,8aß)]-octahydro-4,8a-dimethyl-4a(2H)-naphthol","4,8a-dimethyloctahydronaphthalen-4a(2H)-ol",CC1CCCC2(C)CCCCC12O,CC1CCCC2(C)CCCCC12O,"InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3",C12H22O,,,,,,JLPUXFOGCDVKGO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.304,243-250-8,19720-45-7,"1,4-bis[(2-methylpropyl)amino]anthraquinone","1,4-bis(isobutylamino)-9,10-anthraquinone",CC(C)CNc1ccc(NCC(C)C)c2C(=O)c3ccccc3C(=O)c12,CC(C)CNc1ccc(NCC(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C22H26N2O2/c1-13(2)11-23-17-9-10-18(24-12-14(3)4)20-19(17)21(25)15-7-5-6-8-16(15)22(20)26/h5-10,13-14,23-24H,11-12H2,1-4H3",C22H26N2O2,,,,,,AWGCJODNVVGFRV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.313,243-260-2,19735-13-8,3-methyl-3-phenylpiperidine,3-methyl-3-phenylpiperidine,CC1(CCCNC1)c2ccccc2,CC1(CCCNC1)c2ccccc2,"InChI=1/C12H17N/c1-12(8-5-9-13-10-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3",C12H17N,,,,,,JMPNCLOLPRVYKK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.317,243-264-4,19740-86-4,"(endo,endo)-9-oxabicyclo[4.2.1]nonane-2,5-diol","9-oxabicyclo[4.2.1]nonane-2,5-diol",OC1CCC(O)C2CCC1O2,OC1CCC(O)C2CCC1O2,"InChI=1/C8H14O3/c9-5-1-2-6(10)8-4-3-7(5)11-8/h5-10H,1-4H2",C8H14O3,,,,,,GJZQHDOUUCAZHY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.318,243-266-5,19745-44-9,3-[4-[(5-nitrothiazol-2-yl)azo](2-phenylethyl)amino]propiononitrile,"3-[{4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}(2-phenylethyl)amino]propanenitrile",O=N(=O)c1cnc(N=Nc2ccc(cc2)N(CCC#N)CCc3ccccc3)s1,O=N(=O)c1cnc(N=Nc2ccc(cc2)N(CCC#N)CCc3ccccc3)s1,"InChI=1/C20H18N6O2S/c21-12-4-13-25(14-11-16-5-2-1-3-6-16)18-9-7-17(8-10-18)23-24-20-22-15-19(29-20)26(27)28/h1-3,5-10,15H,4,11,13-14H2",C20H18N6O2S,,,,,,UCYGCDJAPVVJGP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.324,243-272-8,19758-19-1,Ethyl 3-ethoxyisobutyrate,ethyl 3-ethoxy-2-methylpropanoate,CCOCC(C)C(=O)OCC,CCOCC(C)C(=O)OCC,"InChI=1/C8H16O3/c1-4-10-6-7(3)8(9)11-5-2/h7H,4-6H2,1-3H3",C8H16O3,,,,,,DPBFTBZRGJZMOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.326,243-274-9,19759-75-2,Methyl 3-(dodecylthio)propionate,methyl 3-(dodecylsulfanyl)propanoate,CCCCCCCCCCCCSCCC(=O)OC,CCCCCCCCCCCCSCCC(=O)OC,"InChI=1/C16H32O2S/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-16(17)18-2/h3-15H2,1-2H3",C16H32O2S,,,,,,VSIGYUOJAOCSKU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.328,243-277-5,19763-13-4,"1,6-bis(vinyloxy)hexane","1,6-bis(vinyloxy)hexane",C=COCCCCCCOC=C,C=COCCCCCCOC=C,"InChI=1/C10H18O2/c1-3-11-9-7-5-6-8-10-12-4-2/h3-4H,1-2,5-10H2",C10H18O2,,,,,,JOSFJABFAXRZJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.110,221-020-8,2975-36-2,10-[(1-methyl-3-piperidyl)methyl]-10H-phenothiazine monohydrochloride,10-[(1-methylpiperidin-3-yl)methyl]-10H-phenothiazine hydrochloride,Cl.CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1,Cl.CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1,"InChI=1/C19H22N2S.ClH/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h2-5,8-11,15H,6-7,12-14H2,1H3;1H",C19H22N2S.ClH,,,,,,RLCFKYRNUBRPIK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.112,221-022-9,2976-74-1,"2,3-dichlorophenoxyacetic acid","(2,3-dichlorophenoxy)acetic acid",OC(=O)COc1cccc(Cl)c1Cl,OC(=O)COc1cccc(Cl)c1Cl,"InChI=1/C8H6Cl2O3/c9-5-2-1-3-6(8(5)10)13-4-7(11)12/h1-3H,4H2,(H,11,12)",C8H6Cl2O3,,,,,,RBJIGQRZLITQJG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.114,221-025-5,2977-70-0,4-amino-6-methoxy-o-cresol hydrochloride,4-amino-2-methoxy-6-methylphenol hydrochloride,Cl.COc1cc(N)cc(C)c1O,Cl.COc1cc(N)cc(C)c1O,"InChI=1/C8H11NO2.ClH/c1-5-3-6(9)4-7(11-2)8(5)10;/h3-4,10H,9H2,1-2H3;1H",C8H11NO2.ClH,,,,,,UZDALMGXMCEZNW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.117,221-028-1,2978-35-0,1-cyanobiguanide,N-cyanoimidodicarbonimidic diamide,NC(=N)NC(=N)NC#N,NC(=N)NC(=N)NC#N,"InChI=1/C3H6N6/c4-1-8-3(7)9-2(5)6/h(H6,5,6,7,8,9)",C3H6N6,,,,,,BYMLAARMPRFEIG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.227,221-148-4,3013-97-6,Cytidylyl-(5'<U+2192>3')-uridine,-,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(OC3CO)N4C=CC(=O)NC4=O)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(OC3CO)N4C=CC(=O)NC4=O)C(O)C2O,"InChI=1/C18H24N5O13P/c19-9-1-3-22(17(29)20-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-24)34-16(13(14)28)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,32)(H2,19,20,29)(H,21,25,30)",C18H24N5O13P,,,,,,LENQVXALZPDAFB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.229,221-151-0,3015-65-4,"N,N-dimethylmyristamide","N,N-dimethyltetradecanamide",CCCCCCCCCCCCCC(=O)N(C)C,CCCCCCCCCCCCCC(=O)N(C)C,"InChI=1/C16H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(2)3/h4-15H2,1-3H3",C16H33NO,,,,,,FQXSTGKJHBFSIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.230,221-152-6,3015-66-5,Dibutyl tetrachlorophthalate,"dibutyl 3,4,5,6-tetrachlorophthalate",CCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCCCC,CCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCCCC,"InChI=1/C16H18Cl4O4/c1-3-5-7-23-15(21)9-10(16(22)24-8-6-4-2)12(18)14(20)13(19)11(9)17/h3-8H2,1-2H3",C16H18Cl4O4,,,,,,CZYWSKLOYGOGRT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.231,221-153-1,3016-19-1,"(E,E)-2,6-dimethylocta-2,4,6-triene","2,6-dimethylocta-2,4,6-triene",C\\C=C(/C)\\C=C\\C=C(C)C,C\C=C(/C)\C=C\C=C(C)C,"InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3",C10H16,,,,,,GQVMHMFBVWSSPF-SOYUKNQTSA-N,,,,,,,,,,,
100.019.235,221-157-3,3017-95-6,2-bromo-1-chloropropane,2-bromo-1-chloropropane,CC(Br)CCl,CC(Br)CCl,"InChI=1/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3",C3H6BrCl,,,,,,PUJJZGFFAQHYEX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.236,221-158-9,3017-96-7,1-bromo-2-chloropropane,1-bromo-2-chloropropane,CC(Cl)CBr,CC(Cl)CBr,"InChI=1/C3H6BrCl/c1-3(5)2-4/h3H,2H2,1H3",C3H6BrCl,,,,,,YMHXXJJTAGKFBA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.730,223-902-8,4114-28-7,Diethyl bicarbamate,"diethyl hydrazine-1,2-dicarboxylate",CCOC(=O)NNC(=O)OCC,CCOC(=O)NNC(=O)OCC,"InChI=1/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)",C6H12N2O4,,,,,,JXMLAPZRDDWRRV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.737,223-910-1,4117-92-4,"2,2-dimethyl-1,3,2-oxathiastannolan-5-one","2,2-dimethyl-1,3,2-oxathiastannolan-5-one",C[Sn]1(C)OC(=O)CS1,C[Sn]1(C)OC(=O)CS1,"InChI=1/C2H4O2S.2CH3.Sn/c3-2(4)1-5;;;/h5H,1H2,(H,3,4);2*1H3;/q;;;+2/p-2/rC4H8O2SSn/c1-8(2)6-4(5)3-7-8/h3H2,1-2H3",C4H8O2SSn,,,,,,XIDZPWZINDODBR-UHFFFAOYSA-L,,,,,,,,,,,
100.021.744,223-918-5,4121-16-8,Dinonyl sebacate,dinonyl sebacate,CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC,CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC,"InChI=1/C28H54O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h3-26H2,1-2H3",C28H54O4,,,,,,VNTXONBESJNLBI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.746,223-920-6,7/04/4122,"1,3,5-triazin-2-amine","1,3,5-triazin-2-amine",Nc1ncncn1,Nc1ncncn1,"InChI=1/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7)",C3H4N4,,,,,,KCZIUKYAJJEIQG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.747,223-921-1,4122-13-8,[1-2H1]acetaldehyde,acetaldehyde,CC=O,CC=O,"InChI=1/C2H4O/c1-2-3/h2H,1H3",C2H3DO,,,,,,IKHGUXGNUITLKF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.749,223-923-2,4122-68-3,p-chlorophenoxyacetyl chloride,(4-chlorophenoxy)acetyl chloride,ClC(=O)COc1ccc(Cl)cc1,ClC(=O)COc1ccc(Cl)cc1,"InChI=1/C8H6Cl2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2",C8H6Cl2O2,,,,,,VRBVHQUSAOKVDH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.751,216-225-4,1530-35-4,Cinnamyltriphenylphosphonium chloride,triphenyl(3-phenylprop-2-en-1-yl)phosphonium chloride,[Cl-].C(\\C=C\\c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Cl-].C(\C=C\c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C27H24P.ClH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-22H,23H2;1H/q+1;/p-1",C27H24P.Cl,,,,,,NBGQQOBCTPJEFE-ZUQRMPMESA-M,,,,,,,,,,,
100.014.756,216-231-7,1530-48-9,Allyltributylphosphonium chloride,allyl(tributyl)phosphonium chloride,[Cl-].CCCC[P+](CCCC)(CCCC)CC=C,[Cl-].CCCC[P+](CCCC)(CCCC)CC=C,"InChI=1/C15H32P.ClH/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h8H,4-7,9-15H2,1-3H3;1H/q+1;/p-1",C15H32P.Cl,,,,,,KSMYREBPTSSZDR-UHFFFAOYSA-M,,,,,,,,,,,
100.014.760,216-235-9,1530-89-8,Morpholine-4-carbonitrile,morpholine-4-carbonitrile,N#CN1CCOCC1,N#CN1CCOCC1,InChI=1/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H2,C5H8N2O,,,,,,BOQOXLAQTDFJKU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.761,216-236-4,1531-12-0,Norlevorphanol,morphinan-3-ol,Oc1ccc2C[C@H]3NCC[C@@]4(CCCC[C@@H]34)c2c1,Oc1ccc2C[C@H]3NCC[C@@]4(CCCC[C@@H]34)c2c1,"InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2",C16H21NO,,,,,,IYNWSQDZXMGGGI-NUEKZKHPSA-N,,,,,,,,,,,
100.014.766,216-242-7,1532-72-5,Isoquinolin-N-oxide,isoquinoline 2-oxide,O=n1ccc2ccccc2c1,O=n1ccc2ccccc2c1,InChI=1/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,C9H7NO,,,,,,RZIAABRFQASVSW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.767,216-243-2,1532-84-9,Isoquinolin-1-amine,isoquinolin-1-amine,Nc1nccc2ccccc12,Nc1nccc2ccccc12,"InChI=1/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)",C9H8N2,,,,,,OSILBMSORKFRTB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.893,224-081-9,4196-89-8,"2,2-dimethylpropane-1,3-diyl dibenzoate","2,2-dimethylpropane-1,3-diyl dibenzoate",CC(C)(COC(=O)c1ccccc1)COC(=O)c2ccccc2,CC(C)(COC(=O)c1ccccc1)COC(=O)c2ccccc2,"InChI=1/C19H20O4/c1-19(2,13-22-17(20)15-9-5-3-6-10-15)14-23-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3",C19H20O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16807,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.893,DYJIIMFHSZKBDY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.894,224-082-4,4196-98-9,Ethylene phthalate,-,[O-]C(=O)c1ccccc1C(=O)[O-].C=C,[O-]C(=O)c1ccccc1C(=O)[O-].C=C,"InChI=1/C8H6O4.C2H4/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);1-2H2/p-2",C10H8O4,,,,,,NXOYZQFGHKAFKP-UHFFFAOYSA-L,,,,,,,,,,,
100.021.896,224-085-0,3/07/4197,"Disodium 4,5-dihydroxy-3-phenylazonaphthalene-2,7-disulphonate","disodium 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c3c(c1)cc(c(N=Nc2ccccc2)c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c3c(c1)cc(c(N=Nc2ccccc2)c3O)S([O-])(=O)=O,"InChI=1/C16H12N2O8S2.2Na/c19-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)18-17-10-4-2-1-3-5-10;;/h1-8,19-20H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C16H12N2O8S2.2Na,,,,,,GXEAXHYQKZAJGB-UHFFFAOYSA-L,,,,,,,,,,,
100.021.897,224-086-6,4197-24-4,"4-[(4-amino-m-tolyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride","4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline) hydrochloride",Cl.Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)c(C)c3,Cl.Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)c(C)c3,"InChI=1/C21H21N3.ClH/c1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17;/h3-12,22H,23-24H2,1-2H3;1H",C21H21N3.ClH,,,,,,YCIVZWKFFBDLTG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.945,221-938-9,3286-93-9,5-bromo-2-hydroxy-4-methoxybenzophenone,(5-bromo-2-hydroxy-4-methoxyphenyl)(phenyl)methanone,COc1cc(O)c(cc1Br)C(=O)c2ccccc2,COc1cc(O)c(cc1Br)C(=O)c2ccccc2,"InChI=1/C14H11BrO3/c1-18-13-8-12(16)10(7-11(13)15)14(17)9-5-3-2-4-6-9/h2-8,16H,1H3",C14H11BrO3,,,,,,QUHNPDOXVFJYCS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.946,221-939-4,7/06/3287,Decyl diphenyl phosphite,decyl diphenyl phosphite,CCCCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,CCCCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,"InChI=1/C22H31O3P/c1-2-3-4-5-6-7-8-15-20-23-26(24-21-16-11-9-12-17-21)25-22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3",C22H31O3P,,,,,,GLOQRSIADGSLRX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.950,221-944-1,3288-99-1,(4-tert-butylphenyl)acetonitrile,(4-tert-butylphenyl)acetonitrile,CC(C)(C)c1ccc(CC#N)cc1,CC(C)(C)c1ccc(CC#N)cc1,"InChI=1/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3",C12H15N,,,,,,QKJPXROEIJPNHG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.954,221-948-3,3290-24-2,3-ethyl-2-propylquinoline,3-ethyl-2-propylquinoline,CCCc1nc2ccccc2cc1CC,CCCc1nc2ccccc2cc1CC,"InChI=1/C14H17N/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h5-6,8-10H,3-4,7H2,1-2H3",C14H17N,,,,,,CXHUPHNAWXTJFS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.957,221-952-5,3290-99-1,p-anisohydrazide,4-methoxybenzohydrazide,COc1ccc(cc1)C(=O)NN,COc1ccc(cc1)C(=O)NN,"InChI=1/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O2,,,,,,REKQLYUAUXYJSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.964,221-959-3,9/03/3294,"2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]","2,2'-sulfanediylbis[4-(1,1,3,3-tetramethylbutyl)phenol]",CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(ccc2O)C(C)(C)CC(C)(C)C)c1,CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(ccc2O)C(C)(C)CC(C)(C)C)c1,"InChI=1/C28H42O2S/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6/h11-16,29-30H,17-18H2,1-10H3",C28H42O2S,,,,,,WQYFETFRIRDUPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.971,221-967-7,3296-90-0,"2,2-bis(bromomethyl)propane-1,3-diol","2,2-bis(bromomethyl)propane-1,3-diol",OCC(CO)(CBr)CBr,OCC(CO)(CBr)CBr,"InChI=1/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2",C5H10Br2O2,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7873,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.971,CHUGKEQJSLOLHL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.980,221-977-1,3303-34-2,N-L-alanyl-L-leucine,L-alanyl-L-leucine,CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)O,CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)O,"InChI=1/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)",C9H18N2O3,,,,,,RDIKFPRVLJLMER-BQBZGAKWSA-N,,,,,,,,,,,
100.019.985,221-982-9,3304-97-0,tert-butyl dimethyltrithioperoxycarbamate,2-[(dimethylcarbamothioyl)disulfanyl]-2-methylpropane,CN(C)C(=S)SSC(C)(C)C,CN(C)C(=S)SSC(C)(C)C,"InChI=1/C7H15NS3/c1-7(2,3)11-10-6(9)8(4)5/h1-5H3",C7H15NS3,,,,,,RZRJACCZWZTYJY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.987,221-985-5,7/06/3306,"1S,2S-(+)-2-amino-1-phenylpropane-1,3-diol","2-amino-1-phenylpropane-1,3-diol",N[C@@H](CO)[C@@H](O)c1ccccc1,N[C@@H](CO)[C@@H](O)c1ccccc1,"InChI=1/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2",C9H13NO2,,,,,,JUCGVCVPNPBJIG-IUCAKERBSA-N,,,,,,,,,,,
100.018.949,220-842-4,2916-31-6,"2,2-dimethyl-1,3-dioxolane","2,2-dimethyl-1,3-dioxolane",CC1(C)OCCO1,CC1(C)OCCO1,"InChI=1/C5H10O2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3",C5H10O2,,,,,,SIJBDWPVNAYVGY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.953,220-847-1,2917-32-0,Zinc bis(pentachlorophenolate),zinc bis(pentachlorophenolate),[Zn+2].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,[Zn+2].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,InChI=1/2C6HCl5O.Zn/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2,C6HCl5O.1/2Zn,,,,,,GPRVDODYGWTAAN-UHFFFAOYSA-L,,,,,,,,,,,
100.042.890,247-195-0,25705-52-6,(R)-phenylglycine hydrochloride,N-phenylglycine hydrochloride,Cl.OC(=O)CNc1ccccc1,Cl.OC(=O)CNc1ccccc1,"InChI=1/C8H9NO2.ClH/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);1H",C8H9NO2.ClH,,,,,,HIQIUINFXZKKEC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.891,247-196-6,25707-70-4,"N,N'-bis(1,3-dimethylbutylidene)ethylenediamine","N,N'-bis(1,3-dimethylbutylidene)ethane-1,2-diamine",CC(C)CC(C)=NCCN=C(C)CC(C)C,CC(C)CC(C)=NCCN=C(C)CC(C)C,"InChI=1/C14H28N2/c1-11(2)9-13(5)15-7-8-16-14(6)10-12(3)4/h11-12H,7-10H2,1-6H3",C14H28N2,,,,,,FCBJYQXWWPKMPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.893,247-198-7,25709-81-3,"2',7'-dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2',7'-dibromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1cc2Oc3cc(O)c(Br)cc3C4(OC(=O)c5ccccc45)c2cc1Br,Oc1cc2Oc3cc(O)c(Br)cc3C4(OC(=O)c5ccccc45)c2cc1Br,"InChI=1/C20H10Br2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H",C20H10Br2O5,,,,,,YNBZQSXWRWAXMV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.898,247-203-2,25712-08-7,"3,3'-[carbonylbis[imino(3-methoxy-p-phenylene)azo]]bis(benzenesulphonic) acid",3-({2-methoxy-4-[({3-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)benzenesulfonic acid,COc2cc(ccc2N=Nc1cccc(c1)S(O)(=O)=O)NC(=O)Nc4ccc(N=Nc3cccc(c3)S(O)(=O)=O)c(OC)c4,COc2cc(ccc2N=Nc1cccc(c1)S(O)(=O)=O)NC(=O)Nc4ccc(N=Nc3cccc(c3)S(O)(=O)=O)c(OC)c4,"InChI=1/C27H24N6O9S2/c1-41-25-15-17(9-11-23(25)32-30-19-5-3-7-21(13-19)43(35,36)37)28-27(34)29-18-10-12-24(26(16-18)42-2)33-31-20-6-4-8-22(14-20)44(38,39)40/h3-16H,1-2H3,(H2,28,29,34)(H,35,36,37)(H,38,39,40)",C27H24N6O9S2,,,,,,MOLFAMAOUOFWCS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.902,247-207-4,25717-80-0,Molsidomine,"(ethoxycarbonyl)(3-morpholin-4-yl-1,2,3-oxadiazol-3-ium-5-yl)azanide",CCOC(=O)[N-]c1on[n+](c1)N2CCOCC2,CCOC(=O)[N-]c1on[n+](c1)N2CCOCC2,"InChI=1/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3",C9H14N4O4,,,,,,XLFWDASMENKTKL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.905,247-211-6,25726-99-2,3-bis(N-n-butyl)aminopropiononitrile,3-(dibutylamino)propanenitrile,CCCCN(CCCC)CCC#N,CCCCN(CCCC)CCC#N,"InChI=1/C11H22N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-7,9-11H2,1-2H3",C11H22N2,,,,,,XNHGXTPCDNEDCH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.907,247-213-7,25727-93-9,4-tetradecylmorpholine,4-tetradecylmorpholine,CCCCCCCCCCCCCCN1CCOCC1,CCCCCCCCCCCCCCN1CCOCC1,"InChI=1/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20-18-16-19/h2-18H2,1H3",C18H37NO,,,,,,JMJDXDJTXDRLAL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.915,247-222-6,25738-39-0,"4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonic acid","4,4'-{[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]didiazene-2,1-diyl}dinaphthalene-1-sulfonic acid",Oc3c(cc(CO)c(O)c3N=Nc2ccc(c1ccccc12)S(O)(=O)=O)N=Nc5ccc(c4ccccc45)S(O)(=O)=O,Oc3c(cc(CO)c(O)c3N=Nc2ccc(c1ccccc12)S(O)(=O)=O)N=Nc5ccc(c4ccccc45)S(O)(=O)=O,"InChI=1/C27H20N4O9S2/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40)",C27H20N4O9S2,,,,,,ZMJZWRQKSFYRJU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.917,247-224-7,25739-67-7,"p-[4,5-dihydro-3-methyl-4-[[4-methyl-3-[(phenylamino)sulphonyl]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(3-methyl-4-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=NC4C(\\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O,O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=NC4C(\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O,"InChI=1/C23H21N5O6S2/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34/h3-14,22,27H,1-2H3,(H,32,33,34)",C23H21N5O6S2,,,,,,DNNYNDQWWWDTPP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.918,247-225-2,25741-05-3,Aziridine-1-propionic acid,3-aziridin-1-ylpropanoic acid,OC(=O)CCN1CC1,OC(=O)CCN1CC1,"InChI=1/C5H9NO2/c7-5(8)1-2-6-3-4-6/h1-4H2,(H,7,8)",C5H9NO2,,,,,,XIVXINZIDLMMRF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.919,247-226-8,25743-94-6,1-[[3-(dimethylamino)propyl]amino]-4-[(4-methylphenyl)amino]anthraquinone,"1-{[3-(dimethylamino)propyl]amino}-4-[(4-methylphenyl)amino]-9,10-anthraquinone",CN(C)CCCNc1ccc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c13,CN(C)CCCNc1ccc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C26H27N3O2/c1-17-9-11-18(12-10-17)28-22-14-13-21(27-15-6-16-29(2)3)23-24(22)26(31)20-8-5-4-7-19(20)25(23)30/h4-5,7-14,27-28H,6,15-16H2,1-3H3",C26H27N3O2,,,,,,FTYQWGDZBXEMPO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.122,221-033-9,2979-30-8,2-isopropoxycyclohexan-1-ol,2-isopropoxycyclohexanol,CC(C)OC1CCCCC1O,CC(C)OC1CCCCC1O,"InChI=1/C9H18O2/c1-7(2)11-9-6-4-3-5-8(9)10/h7-10H,3-6H2,1-2H3",C9H18O2,,,,,,DEKLMTVOQOWFOL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.124,221-036-5,2979-51-3,1-(1-oxo-3-phenylallyl)-1H-imidazole,1-cinnamoyl-1H-imidazole,O=C(\\C=C\\c1ccccc1)n2ccnc2,O=C(\C=C\c1ccccc1)n2ccnc2,InChI=1/C12H10N2O/c15-12(14-9-8-13-10-14)7-6-11-4-2-1-3-5-11/h1-10H,C12H10N2O,,,,,,XVGXMXZUJNAGFZ-VOTSOKGWSA-N,,,,,,,,,,,
100.020.635,222-698-8,1/06/3578,Hexyl 2-cyanoacrylate,hexyl 2-cyanoacrylate,CCCCCCOC(=O)C(=C)C#N,CCCCCCOC(=O)C(=C)C#N,"InChI=1/C10H15NO2/c1-3-4-5-6-7-13-10(12)9(2)8-11/h2-7H2,1H3",C10H15NO2,,,,,,XDZLHTBOHLGGCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.641,222-704-9,3582-00-1,Diethoxytitanium dichloride,diethoxytitanium dichloride,[Cl-].[Cl-].CCO[Ti]OCC.CCO[Ti]OCC,[Cl-].[Cl-].CCO[Ti]OCC.CCO[Ti]OCC,"InChI=1/4C2H5O.2ClH.2Ti/c4*1-2-3;;;;/h4*2H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2/r2C4H10O2Ti.2ClH/c2*1-3-5-7-6-4-2;;/h2*3-4H2,1-2H3;2*1H/p-2",C4H10Cl2O2Ti,,,,,,LPPCBEOQCYIRJX-UHFFFAOYSA-L,,,,,,,,,,,
100.020.642,222-705-4,3/10/3582,Tetrachloro(trichloromethyl)phosphorane,tetrachloro(trichloromethyl)phosphorane,ClC(Cl)(Cl)P(Cl)(Cl)(Cl)Cl,ClC(Cl)(Cl)P(Cl)(Cl)(Cl)Cl,"InChI=1/CCl7P/c2-1(3,4)9(5,6,7)8",CCl7P,,,,,,KVNRUJHTQABFKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.646,222-710-1,3583-64-0,Bumadizone,"2-[(1,2-diphenylhydrazino)carbonyl]hexanoic acid",CCCCC(C(=O)O)C(=O)N(Nc1ccccc1)c2ccccc2,CCCCC(C(=O)O)C(=O)N(Nc1ccccc1)c2ccccc2,"InChI=1/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)",C19H22N2O3,,,,,,FLWFHHFTIRLFPV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.649,222-713-8,3584-66-5,5-chloro-2-(trichloromethyl)-1H-benzimidazole,5-chloro-2-(trichloromethyl)-1H-benzimidazole,Clc1ccc2[nH]c(nc2c1)C(Cl)(Cl)Cl,Clc1ccc2[nH]c(nc2c1)C(Cl)(Cl)Cl,"InChI=1/C8H4Cl4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)",C8H4Cl4N2,,,,,,SIZGSKQSWJIWFP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.656,222-721-1,3587-18-6,Tributylphenoxystannane,tributyl(phenoxy)stannane,CCCC[Sn](CCCC)(CCCC)Oc1ccccc1,CCCC[Sn](CCCC)(CCCC)Oc1ccccc1,"InChI=1/C6H6O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H32OSn/c1-4-7-15-20(16-8-5-2,17-9-6-3)19-18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3",C18H32OSn,,,,,,WSFFSRSHQHHVHH-UHFFFAOYSA-M,,,,,,,,,,,
100.020.658,222-723-2,3588-13-4,"(1E,3Z)-1,4-dichlorobuta-1,3-diene","1,4-dichlorobuta-1,3-diene",Cl\\C=C/C=C/Cl,Cl\C=C/C=C/Cl,InChI=1/C4H4Cl2/c5-3-1-2-4-6/h1-4H,C4H4Cl2,,,,,,LDZSRRMBFGBOAE-HSFFGMMNSA-N,,,,,,,,,,,
100.020.659,222-724-8,3588-17-8,"trans,trans-buta-1,3-diene-1,4-dicarboxylic acid","hexa-2,4-dienedioic acid",O=C(O)\\C=C\\C=C\\C(O)=O,O=C(O)\C=C\C=C\C(O)=O,"InChI=1/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)",C6H6O4,,,,,,TXXHDPDFNKHHGW-ZPUQHVIOSA-N,,,,,,,,,,,
100.017.658,219-423-9,2435-16-7,2-heptyltetrahydrofuran,2-heptyltetrahydrofuran,CCCCCCCC1CCCO1,CCCCCCCC1CCCO1,"InChI=1/C11H22O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h11H,2-10H2,1H3",C11H22O,,,,,,VBQKNJGYWOBPMY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.661,219-427-0,2435-76-9,5-diazouracil,"5-diazopyrimidine-2,4(3H,5H)-dione",[N-]=[N+]=C1C=NC(=O)NC1=O,[N-]=[N+]=C1C=NC(=O)NC1=O,"InChI=1/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H,7,9,10)",C4H2N4O2,,,,,,VEOLNAAQJHGJPM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.662,219-428-6,2435-82-7,"1-(1(2H)-acenaphthylenylidene)-1,2-dihydroacenaphthylene","2H,2'H-1,1'-biacenaphthylene",c4cc5cccc6CC(=C3Cc2cccc1cccc3c12)c(c4)c56,c4cc5cccc6CC(=C3Cc2cccc1cccc3c12)c(c4)c56,"InChI=1/C24H16/c1-5-15-7-3-11-19-21(13-17(9-1)23(15)19)22-14-18-10-2-6-16-8-4-12-20(22)24(16)18/h1-12H,13-14H2",C24H16,,,,,,SBXNBQKTWHZZGA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.670,219-437-5,8/03/2437,Ethyl(2-naphthyl)amine,N-ethylnaphthalen-2-amine,CCNc1ccc2ccccc2c1,CCNc1ccc2ccccc2c1,"InChI=1/C12H13N/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3",C12H13N,,,,,,AHEJURHRYJPYST-UHFFFAOYSA-N,,,,,,,,,,,
100.017.673,219-440-1,2437-25-4,Dodecanenitrile,lauronitrile,CCCCCCCCCCCC#N,CCCCCCCCCCCC#N,"InChI=1/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3",C12H23N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2083,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.673,VXCUURYYWGCLIH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.675,219-442-2,2437-49-2,"2,4,6-tribromoresorcinol","2,4,6-tribromobenzene-1,3-diol",Oc1c(Br)cc(Br)c(O)c1Br,Oc1c(Br)cc(Br)c(O)c1Br,"InChI=1/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H",C6H3Br3O2,,,,,,YADZSMVDNYXOOB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.680,219-448-5,2/12/2438,"(±)-a,a,4-trimethylcyclohex-3-ene-1-methanol",2-(4-methylcyclohex-3-en-1-yl)propan-2-ol,CC1=CCC(CC1)C(C)(C)O,CC1=CCC(CC1)C(C)(C)O,"InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",C10H18O,,,,,,WUOACPNHFRMFPN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.687,219-455-3,2/01/2439,Chinomethionate,"6-methyl[1,3]dithiolo[4,5-b]quinoxalin-2-one",Cc1ccc2nc3SC(=O)Sc3nc2c1,Cc1ccc2nc3SC(=O)Sc3nc2c1,"InChI=1/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3",C10H6N2OS2,,,,,,FBQQHUGEACOBDN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.770,216-246-9,1533-65-9,1-(3-pyridylazo)-2-naphthol,1-(pyridin-3-yldiazenyl)-2-naphthol,Oc2ccc3ccccc3c2N=Nc1cccnc1,Oc2ccc3ccccc3c2N=Nc1cccnc1,"InChI=1/C15H11N3O/c19-14-8-7-11-4-1-2-6-13(11)15(14)18-17-12-5-3-9-16-10-12/h1-10,19H",C15H11N3O,,,,,,TYRCKEFIYKISNH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.772,216-249-5,1533-76-2,4-[(4-nitrophenyl)azo]-3-(propionamido)anilinodiethyl diacetate,"({4-[(4-nitrophenyl)diazenyl]-3-(propionylamino)phenyl}imino)diethane-2,1-diyl diacetate",CCC(=O)Nc1cc(ccc1N=Nc2ccc(cc2)N(=O)=O)N(CCOC(=O)C)CCOC(=O)C,CCC(=O)Nc1cc(ccc1N=Nc2ccc(cc2)N(=O)=O)N(CCOC(=O)C)CCOC(=O)C,"InChI=1/C23H27N5O7/c1-4-23(31)24-22-15-20(27(11-13-34-16(2)29)12-14-35-17(3)30)9-10-21(22)26-25-18-5-7-19(8-6-18)28(32)33/h5-10,15H,4,11-14H2,1-3H3,(H,24,31)",C23H27N5O7,,,,,,OHTHBMRATHPWLV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.775,216-252-1,1534-08-3,Methyl thioacetate,S-methyl ethanethioate,CSC(=O)C,CSC(=O)C,InChI=1/C3H6OS/c1-3(4)5-2/h1-2H3,C3H6OS,,,,,,OATSQCXMYKYFQO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.780,216-257-9,1535-75-7,2-(trifluoromethoxy)aniline,2-(trifluoromethoxy)aniline,Nc1ccccc1OC(F)(F)F,Nc1ccccc1OC(F)(F)F,"InChI=1/C7H6F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2",C7H6F3NO,,,,,,ZFCOUBUSGHLCDT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.747,242-638-4,18869-73-3,"4,4'-(1-acetyl-2-oxoindolin-3-ylidene)diphenyl di(acetate)","(1-acetyl-2-oxo-2,3-dihydro-1H-indole-3,3-diyl)di-4,1-phenylene diacetate",CC(=O)Oc1ccc(cc1)C2(C(=O)N(C(=O)C)c3ccccc23)c4ccc(OC(=O)C)cc4,CC(=O)Oc1ccc(cc1)C2(C(=O)N(C(=O)C)c3ccccc23)c4ccc(OC(=O)C)cc4,"InChI=1/C26H21NO6/c1-16(28)27-24-7-5-4-6-23(24)26(25(27)31,19-8-12-21(13-9-19)32-17(2)29)20-10-14-22(15-11-20)33-18(3)30/h4-15H,1-3H3",C26H21NO6,,,,,,JPGUEMQIAGJQSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.883,242-788-0,19054-57-0,Sodium DL-2-hydroxybutyrate,sodium 2-hydroxybutanoate,[Na+].CCC(O)C(=O)[O-],[Na+].CCC(O)C(=O)[O-],"InChI=1/C4H8O3.Na/c1-2-3(5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1",C4H8O3.Na,,,,,,MOSCXNXKSOHVSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.038.888,242-793-8,19064-24-5,"1,3-difluoro-2-nitrobenzene","1,3-difluoro-2-nitrobenzene",[O-][N+](=O)c1c(F)cccc1F,[O-][N+](=O)c1c(F)cccc1F,InChI=1/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,C6H3F2NO2,,,,,,SSNCMIDZGFCTST-UHFFFAOYSA-N,,,,,,,,,,,
100.038.889,242-794-3,19064-64-3,"3,6-dichloro-4-methylpyridazine","3,6-dichloro-4-methylpyridazine",Cc1cc(Cl)nnc1Cl,Cc1cc(Cl)nnc1Cl,"InChI=1/C5H4Cl2N2/c1-3-2-4(6)8-9-5(3)7/h2H,1H3",C5H4Cl2N2,,,,,,ROYHWGZNGMXQEU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.890,242-795-9,19070-63-4,"2-[(2,3-epoxypropoxy)methyl]tetrahydrofuran",2-[(oxiran-2-ylmethoxy)methyl]tetrahydrofuran,C(OCC1CO1)C2CCCO2,C(OCC1CO1)C2CCCO2,"InChI=1/C8H14O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h7-8H,1-6H2",C8H14O3,,,,,,BTBGDFGJZOTWNA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.893,242-799-0,19074-59-0,"Tris(2,5-xylyl) phosphate","tris(2,5-dimethylphenyl) phosphate",Cc1ccc(C)c(OP(=O)(Oc2cc(C)ccc2C)Oc3cc(C)ccc3C)c1,Cc1ccc(C)c(OP(=O)(Oc2cc(C)ccc2C)Oc3cc(C)ccc3C)c1,"InChI=1/C24H27O4P/c1-16-7-10-19(4)22(13-16)26-29(25,27-23-14-17(2)8-11-20(23)5)28-24-15-18(3)9-12-21(24)6/h7-15H,1-6H3",C24H27O4P,,,,,,MDHAARLWBHZGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.895,242-802-5,19077-98-6,4'-(2-pyridylsulphamoyl)acetanilide,N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,"InChI=1/C13H13N3O3S/c1-10(17)15-11-5-7-12(8-6-11)20(18,19)16-13-4-2-3-9-14-13/h2-9H,1H3,(H,14,16)(H,15,17)",C13H13N3O3S,,,,,,CYLYVXPHAQLXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.896,242-803-0,19082-42-9,Urea sulphate,urea sulfate,NC(=O)N.OS(=O)(=O)O,NC(=O)N.OS(=O)(=O)O,"InChI=1/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)",CH4N2O.xH2O4S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10396,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.896,SSBRSHIQIANGKS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.898,242-805-1,19088-74-5,Rubidium hydrogen carbonate,rubidium hydrogen carbonate,[Rb+].[O-]C(=O)[O-],[Rb+].[O-]C(=O)[O-],"InChI=1/CH2O3.Rb/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-2",CH2O3.Rb,,,,,,KEDRKJFXBSLXSI-UHFFFAOYSA-L,,,,,,,,,,,
100.038.901,242-808-8,19089-92-0,Hexyl 2-butenoate,hexyl but-2-enoate,CCCCCCOC(=O)C=CC,CCCCCCOC(=O)C=CC,"InChI=1/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3",C10H18O2,,,,,,MZNHUHNWGVUEAT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.903,242-810-9,19093-20-0,(E)-oct-5-en-2-one,oct-5-en-2-one,CC\\C=C\\CCC(=O)C,CC\C=C\CCC(=O)C,"InChI=1/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3",C8H14O,,,,,,NBFKNCBRFJKDDR-SNAWJCMRSA-N,,,,,,,,,,,
100.038.908,242-816-1,19097-97-3,Decylguanidine monohydrochloride,1-decylguanidine hydrochloride,Cl.CCCCCCCCCCNC(=N)N,Cl.CCCCCCCCCCNC(=N)N,"InChI=1/C11H25N3.ClH/c1-2-3-4-5-6-7-8-9-10-14-11(12)13;/h2-10H2,1H3,(H4,12,13,14);1H",C11H25N3.ClH,,,,,,WEFVVVNZWWXTSA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.913,242-821-9,19105-78-3,"Isovaleric acid, iron salt",-,[Fe].CC(C)CC(O)=O,[Fe].CC(C)CC(O)=O,"InChI=1/C5H10O2.Fe/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);/q;+2",C5H10O2.xFe,,,,,,IFNHXNPJMYTULH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.956,220-850-8,2917-73-9,Dibutyl azelate,dibutyl azelaate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,CCCCOC(=O)CCCCCCCC(=O)OCCCC,"InChI=1/C17H32O4/c1-3-5-14-20-16(18)12-10-8-7-9-11-13-17(19)21-15-6-4-2/h3-15H2,1-2H3",C17H32O4,,,,,,RISLXYINQFKFRL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.962,220-857-6,3/05/2919,Pent-4-en-2-yn-1-ol,pent-4-en-2-yn-1-ol,OCC#CC=C,OCC#CC=C,"InChI=1/C5H6O/c1-2-3-4-5-6/h2,6H,1,5H2",C5H6O,,,,,,NUFXLGXWZFVTSU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.963,220-858-1,2919-23-5,Cyclobutanol,cyclobutanol,OC1CCC1,OC1CCC1,"InChI=1/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2",C4H8O,,,,,,KTHXBEHDVMTNOH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.965,220-860-2,2920-38-9,p-phenylbenzonitrile,biphenyl-4-carbonitrile,N#Cc1ccc(cc1)c2ccccc2,N#Cc1ccc(cc1)c2ccccc2,InChI=1/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,C13H9N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7746,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.965,BPMBNLJJRKCCRT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.969,220-864-4,2921-88-2,Chlorpyrifos,"O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate",CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,"InChI=1/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",C9H11Cl3NO3PS,,,,,,SBPBAQFWLVIOKP-UHFFFAOYSA-N,Positive,SM817703;EA295001|EA295002|EA295003|EA295004|EA295005|EA295006|EA295007|EA295008|EA295009|EA295010|EA295011|EA295012|EA295013|EA295014,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,114.9613:197.9274:349.9337;321.9025:293.871:197.9275|349.9336:321.9026:197.9275|197.9274:114.9613:96.9507|197.9275:114.9613:96.9508|197.9275:114.9614:96.9508|114.9613:197.9274:96.9508|114.9613:96.9507:106.9449|349.9337:321.9022:197.9274|197.9275:114.9613:96.9508|197.9275:114.9613:96.9508|197.9275:114.9613:96.9507|114.9613:197.9274:96.9507|114.9613:96.9507:106.9449|321.9021:293.8709:197.9275,CASMI_2016;Eawag,,,,,
100.018.970,220-866-5,2921-92-8,Propatylnitrate,"2,2-bis[(nitrooxy)methyl]butyl nitrate (non-preferred name)",CCC(CON(=O)=O)(CON(=O)=O)CON(=O)=O,CCC(CON(=O)=O)(CON(=O)=O)CON(=O)=O,"InChI=1/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3",C6H11N3O9,,,,,,YZZCJYJBCUJISI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.975,220-871-2,2922-54-5,Sodium hydrogen succinate,sodium hydrogen succinate,[Na+].[O-]C(=O)CCC(=O)[O-],[Na+].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Na/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-2",C4H6O4.Na,,,,,,KZQSXALQTHVPDQ-UHFFFAOYSA-L,,,,,,,,,,,
100.018.982,220-879-6,2923-18-4,Sodium trifluoroacetate,sodium trifluoroacetate,[Na+].[O-]C(=O)C(F)(F)F,[Na+].[O-]C(=O)C(F)(F)F,"InChI=1/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HF3O2.Na,,,,,,UYCAUPASBSROMS-UHFFFAOYSA-M,,,,,,,,,,,
100.018.983,220-880-1,2923-22-0,Sodium 3-fluoropyruvate monohydrate,sodium 3-fluoro-2-oxopropanoate hydrate,O.[Na+].[O-]C(=O)C(=O)CF,O.[Na+].[O-]C(=O)C(=O)CF,"InChI=1/C3H3FO3.Na.H2O/c4-1-2(5)3(6)7;;/h1H2,(H,6,7);;1H2/q;+1;/p-1",C3H3FO3.Na,,,,,,HDSZBLZMLDQKRW-UHFFFAOYSA-M,,,,,,,,,,,
100.018.986,220-883-8,2923-93-5,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-hydroxyphenyl]hexanamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-{4-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-hydroxyphenyl}hexanamide",CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c2,CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c2,"InChI=1/C32H41F7N2O4/c1-8-11-12-25(45-24-16-13-19(28(4,5)9-2)17-21(24)29(6,7)10-3)26(43)40-20-14-15-22(23(42)18-20)41-27(44)30(33,34)31(35,36)32(37,38)39/h13-18,25,42H,8-12H2,1-7H3,(H,40,43)(H,41,44)",C32H41F7N2O4,,,,,,FVSDJPACEHXABM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.988,220-885-9,2924-15-4,2-fluorophenylhydrazine hydrochloride,(2-fluorophenyl)hydrazine hydrochloride,Cl.NNc1ccccc1F,Cl.NNc1ccccc1F,"InChI=1/C6H7FN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H",C6H7FN2.ClH,,,,,,VFZYLSYYMHFPSY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.986,218-684-6,8/12/2216,1-nitro-2-phenoxybenzene,1-nitro-2-phenoxybenzene,[O-][N+](=O)c1ccccc1Oc2ccccc2,[O-][N+](=O)c1ccccc1Oc2ccccc2,InChI=1/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,C12H9NO3,,,,,,VNHGETRQQSYUGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.990,218-688-8,2216-35-5,2-bromononane,2-bromononane,CCCCCCCC(C)Br,CCCCCCCC(C)Br,"InChI=1/C9H19Br/c1-3-4-5-6-7-8-9(2)10/h9H,3-8H2,1-2H3",C9H19Br,,,,,,JQEFZTLHNWFZDD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.994,218-693-5,2216-54-8,"[1R-(1a,2ß,5a)]-2-(isopropyl)-5-methylcyclohexylamine",2-isopropyl-5-methylcyclohexanamine,CC(C)C1CCC(C)CC1N,CC(C)C1CCC(C)CC1N,"InChI=1/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3",C10H21N,,,,,,RBMUAGDCCJDQLE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.500,220-349-4,2732-58-3,6-ethylchrysene,6-ethylchrysene,CCc1cc2c3ccccc3ccc2c4ccccc14,CCc1cc2c3ccccc3ccc2c4ccccc14,"InChI=1/C20H16/c1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18/h3-13H,2H2,1H3",C20H16,,,,,,ZJSYTTGSPQNXKT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.504,220-354-1,2734-52-3,"2,2'-[[4-[(4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({4-[(4-nitrophenyl)diazenyl]phenyl}imino)diethanol",[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCO)CCO)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCO)CCO)cc2,"InChI=1/C16H18N4O4/c21-11-9-19(10-12-22)15-5-1-13(2-6-15)17-18-14-3-7-16(8-4-14)20(23)24/h1-8,21-22H,9-12H2",C16H18N4O4,,,,,,GHDZRIQTRDZCMV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.506,220-356-2,9/05/2735,"2,4-bis(chloromethyl)toluene","2,4-bis(chloromethyl)-1-methylbenzene",Cc1ccc(CCl)cc1CCl,Cc1ccc(CCl)cc1CCl,"InChI=1/C9H10Cl2/c1-7-2-3-8(5-10)4-9(7)6-11/h2-4H,5-6H2,1H3",C9H10Cl2,,,,,,HKCWYAWNOIYUAS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.507,220-357-8,2736-18-7,"4,6-dichloro-1,3,5-triazin-2(1H)-one, sodium salt",-,[Na+].ClC1=NC(=NC(=O)N1)Cl,[Na+].ClC1=NC(=NC(=O)N1)Cl,"InChI=1/C3HCl2N3O.Na/c4-1-6-2(5)8-3(9)7-1;/h(H,6,7,8,9);/q;+1",C3HCl2N3O.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12331,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.507,SYWDUFAVIVYDMX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.923,247-231-5,25746-43-4,"1,5-Naphthalenedisulfonic acid, 3-[[4-[[4-[[3-[[[4-[(4,8-disulfo-2-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]-4-methoxyphenyl]azo]benzoyl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrapotassium salt","tetrapotassium 3-({4-[(4-{[3-({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)-4-methoxyphenyl]diazenyl}benzoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate",[K+].[K+].[K+].[K+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc2cc(OC)c(cc2C)NC(=O)c3ccc(cc3)N=Nc4cc(c(OC)cc4)C(=O)Nc5cc(C)c(cc5OC)N=Nc7cc6c(cccc6c(c7)S([O-])(=O)=O)S([O-])(=O)=O,[K+].[K+].[K+].[K+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc2cc(OC)c(cc2C)NC(=O)c3ccc(cc3)N=Nc4cc(c(OC)cc4)C(=O)Nc5cc(C)c(cc5OC)N=Nc7cc6c(cccc6c(c7)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C51H42N8O17S4.4K/c1-27-18-41(44(75-4)25-39(27)58-56-32-21-36-34(48(23-32)79(68,69)70)8-6-10-46(36)77(62,63)64)52-50(60)29-12-14-30(15-13-29)54-55-31-16-17-43(74-3)38(20-31)51(61)53-42-19-28(2)40(26-45(42)76-5)59-57-33-22-37-35(49(24-33)80(71,72)73)9-7-11-47(37)78(65,66)67;;;;/h6-26H,1-5H3,(H,52,60)(H,53,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73);;;;/q;4*+1/p-4",C51H42N8O17S4.4K,,,,,,WQFSYAKWAFJVJK-UHFFFAOYSA-J,,,,,,,,,,,
100.042.924,247-232-0,25746-72-9,"4-[bis(benzyl)amino]-2,5-diethoxybenzenediazonium sulphate (2:1)","bis[4-(dibenzylamino)-2,5-diethoxybenzenediazonium] sulfate",CCOc1cc(N(Cc2ccccc2)Cc3ccccc3)c(OCC)cc1[N+]#N.CCOc4cc(N(Cc5ccccc5)Cc6ccccc6)c(OCC)cc4[N+]#N.[O-]S(=O)(=O)[O-],CCOc1cc(N(Cc2ccccc2)Cc3ccccc3)c(OCC)cc1[N+]#N.CCOc4cc(N(Cc5ccccc5)Cc6ccccc6)c(OCC)cc4[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/2C24H26N3O2.H2O4S/c2*1-3-28-23-16-22(24(29-4-2)15-21(23)26-25)27(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20;1-5(2,3)4/h2*5-16H,3-4,17-18H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",C24H26N3O2.1/2O4S,,,,,,QMGDTBKBBQZYSX-UHFFFAOYSA-L,,,,,,,,,,,
100.042.926,247-234-1,25747-05-1,3-hydroxy-4-[(1-hydroxy-2-naphthyl)azo]naphthalene-1-sulphonic acid,3-hydroxy-4-[(1-hydroxy-2-naphthyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccccc34,OS(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccccc34,"InChI=1/C20H14N2O5S/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24/h1-11,23-24H,(H,25,26,27)",C20H14N2O5S,,,,,,BRDGZOLJYALNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.241,221-164-1,3019-36-1,Amidinophosphoramidic acid,carbamimidoylphosphoramidic acid,NC(=N)NP(=O)(O)O,NC(=N)NP(=O)(O)O,"InChI=1/CH6N3O3P/c2-1(3)4-8(5,6)7/h(H6,2,3,4,5,6,7)",CH6N3O3P,,,,,,LPKCJFLRJWWIDI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.242,221-165-7,3019-71-4,Trichloroacetyl isocyanate,trichloroacetyl isocyanate,ClC(Cl)(Cl)C(=O)N=C=O,ClC(Cl)(Cl)C(=O)N=C=O,"InChI=1/C3Cl3NO2/c4-3(5,6)2(9)7-1-8",C3Cl3NO2,,,,,,GRNOZCCBOFGDCL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.243,221-166-2,3019-74-7,D-altro-2-heptulose,D-altro-hept-2-ulose,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO,"InChI=1/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2",C7H14O7,,,,,,HSNZZMHEPUFJNZ-SHUUEZRQSA-N,,,,,,,,,,,
100.020.753,222-827-8,3624-64-4,Sodium 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2-sulphonate,sodium 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].Oc3ccc(cc3N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc3ccc(cc3N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C16H11N3O7S.Na/c20-14-6-2-10(19(22)23)8-13(14)17-18-16-12-4-3-11(27(24,25)26)7-9(12)1-5-15(16)21;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1",C16H11N3O7S.Na,,,,,,NXLJCMZUMDRSMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.755,222-829-9,3624-77-9,Sodium N-methyl-N-(1-oxo-9-octadecenyl)aminoacetate,sodium [methyl(oleoyl)amino]acetate,CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O[Na],CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O[Na],"InChI=1/C21H39NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1",C21H39NO3.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5350,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.755,VLKIFCBXANYYCK-UHFFFAOYSA-M,,,,,,,,,,,
100.020.766,222-841-4,3626-69-5,1-(1-oxobut-2-enyl)piperidine,1-but-2-enoylpiperidine,O=C(C=CC)N1CCCCC1,O=C(C=CC)N1CCCCC1,"InChI=1/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6H,3-5,7-8H2,1H3",C9H15NO,,,,,,DEHSTVNSEJEWPR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.774,222-850-3,3634-47-7,Tetrapentylgermanium,tetrapentylgermane,CCCCC[Ge+](CCCCC)(CCCCC)CCCCC,CCCCC[Ge+](CCCCC)(CCCCC)CCCCC,"InChI=1/C20H44Ge/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3",C20H44Ge,,,,,,FKMZZYYEGNGXDF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.775,222-851-9,3634-67-1,Chlorotrihexylsilane,chloro(trihexyl)silane,CCCCCC[Si](Cl)(CCCCCC)CCCCCC,CCCCCC[Si](Cl)(CCCCCC)CCCCCC,"InChI=1/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",C18H39ClSi,,,,,,WZQSBCHNVPAYOC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.781,222-858-7,3635-74-3,"4-(acetamido)benzoic acid, compound with 2-(dimethylamino)ethanol (1:1)",4-acetamidobenzoic acid - 2-(dimethylamino)ethanol (1:1),CN(C)CCO.CC(=O)Nc1ccc(cc1)C(=O)O,CN(C)CCO.CC(=O)Nc1ccc(cc1)C(=O)O,"InChI=1/C9H9NO3.C4H11NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(2)3-4-6/h2-5H,1H3,(H,10,11)(H,12,13);6H,3-4H2,1-2H3",C9H9NO3.C4H11NO,,,,,,XTWZHJXJIIUEJP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.786,216-264-7,1539-04-4,Diphenyl terephthalate,diphenyl terephthalate,O=C(Oc1ccccc1)c2ccc(cc2)C(=O)Oc3ccccc3,O=C(Oc1ccccc1)c2ccc(cc2)C(=O)Oc3ccccc3,InChI=1/C20H14O4/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18/h1-14H,C20H14O4,,,,,,HPGJOUYGWKFYQW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.802,216-282-5,1546-79-8,1-(trifluoroacetyl)-1H-imidazole,1-(trifluoroacetyl)-1H-imidazole,FC(F)(F)C(=O)n1ccnc1,FC(F)(F)C(=O)n1ccnc1,"InChI=1/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H",C5H3F3N2O,,,,,,SINBGNJPYWNUQI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.688,219-456-9,5/04/2439,Isoquinolin-5-ol,isoquinolin-5-ol,Oc1cccc2cnccc12,Oc1cccc2cnccc12,"InChI=1/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H",C9H7NO,,,,,,CSNXUYRHPXGSJD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.700,219-470-5,2440-22-4,2-(2H-benzotriazol-2-yl)-p-cresol,2-(2H-benzotriazol-2-yl)-4-methylphenol,Cc1ccc(O)c(c1)n2nc3ccccc3n2,Cc1ccc(O)c(c1)n2nc3ccccc3n2,"InChI=1/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3",C13H11N3O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13300,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.700,MCPKSFINULVDNX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.703,219-473-1,2441-27-2,Trichloro(1-chlorovinyl)silane,trichloro(1-chlorovinyl)silane,ClC(=C)[Si](Cl)(Cl)Cl,ClC(=C)[Si](Cl)(Cl)Cl,"InChI=1/C2H2Cl4Si/c1-2(3)7(4,5)6/h1H2",C2H2Cl4Si,,,,,,VWMDRWHOSUUULE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.705,219-475-2,2442-49-1,Methyl tetracosanoate,methyl tetracosanoate,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3",C25H50O2,,,,,,XUDJZDNUVZHSKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.707,219-477-3,2443-39-2,3-octyloxiran-2-octanoic acid,8-(3-octyloxiran-2-yl)octanoic acid,CCCCCCCCC1OC1CCCCCCCC(=O)O,CCCCCCCCC1OC1CCCCCCCC(=O)O,"InChI=1/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)",C18H34O3,,,,,,IMYZYCNQZDBZBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.415,216-956-9,1707-95-5,"1,2'-biindanylidene-1',3,3'-trione","1,2'-biindene-1',3,3'(2H)-trione",O=C1CC(=C2C(=O)c3ccccc3C2=O)c4ccccc14,O=C1CC(=C2C(=O)c3ccccc3C2=O)c4ccccc14,"InChI=1/C18H10O3/c19-15-9-14(10-5-1-2-6-11(10)15)16-17(20)12-7-3-4-8-13(12)18(16)21/h1-8H,9H2",C18H10O3,,,,,,YMFDOLAAUHRURP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.424,216-966-3,1708-97-0,3-methylpent-3-en-1-yl acetate,3-methylpent-3-en-1-yl acetate,CC(=O)OCCC(C)=CC,CC(=O)OCCC(C)=CC,"InChI=1/C8H14O2/c1-4-7(2)5-6-10-8(3)9/h4H,5-6H2,1-3H3",C8H14O2,,,,,,FYLHKYNEKGQLFR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.428,216-971-0,1709-70-2,"3,3',3'',5,5',5''-hexa-tert-butyl-a,a',a''-(mesitylene-2,4,6-triyl)tri-p-cresol","4,4',4''-[(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene)]tris(2,6-di-tert-butylphenol)",Cc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C,Cc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C,"InChI=1/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3",C54H78O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14678,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.428,VSAWBBYYMBQKIK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.436,216-979-4,1711-10-0,3-iodobenzoyl chloride,3-iodobenzoyl chloride,ClC(=O)c1cccc(I)c1,ClC(=O)c1cccc(I)c1,InChI=1/C7H4ClIO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H,C7H4ClIO,,,,,,DTELTOREECFDBC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.437,216-981-5,1711-40-6,p-tert-butylperbenzoic acid,4-tert-butylbenzenecarboperoxoic acid,CC(C)(C)c1ccc(cc1)C(=O)OO,CC(C)(C)c1ccc(cc1)C(=O)OO,"InChI=1/C11H14O3/c1-11(2,3)9-6-4-8(5-7-9)10(12)14-13/h4-7,13H,1-3H3",C11H14O3,,,,,,TZAJCDOWOPBMKD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.438,216-982-0,1711-41-7,2-nitroperbenzoic acid,2-nitrobenzenecarboperoxoic acid,OOC(=O)c1ccccc1N(=O)=O,OOC(=O)c1ccccc1N(=O)=O,"InChI=1/C7H5NO5/c9-7(13-12)5-3-1-2-4-6(5)8(10)11/h1-4,12H",C7H5NO5,,,,,,LOEMDEDKAHXRTN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.443,216-987-8,1713-07-1,"3-(acetylamino)-5-amino-2,4,6-triiodobenzoic acid","3-acetamido-5-amino-2,4,6-triiodobenzoic acid",CC(=O)Nc1c(I)c(N)c(I)c(C(=O)O)c1I,CC(=O)Nc1c(I)c(N)c(I)c(C(=O)O)c1I,"InChI=1/C9H7I3N2O3/c1-2(15)14-8-5(11)3(9(16)17)4(10)7(13)6(8)12/h13H2,1H3,(H,14,15)(H,16,17)",C9H7I3N2O3,,,,,,XCNHOBHCZBIGJP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.444,216-988-3,1713-11-7,Isobutyl 4-chloro-o-tolyloxyacetate,isobutyl (4-chloro-2-methylphenoxy)acetate,CC(C)COC(=O)COc1ccc(Cl)cc1C,CC(C)COC(=O)COc1ccc(Cl)cc1C,"InChI=1/C13H17ClO3/c1-9(2)7-17-13(15)8-16-12-5-4-11(14)6-10(12)3/h4-6,9H,7-8H2,1-3H3",C13H17ClO3,,,,,,VETMCNQKJNFMHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.445,216-989-9,1713-12-8,Butyl 4-chloro-o-tolyloxyacetate,butyl (4-chloro-2-methylphenoxy)acetate,CCCCOC(=O)COc1ccc(Cl)cc1C,CCCCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C13H17ClO3/c1-3-4-7-16-13(15)9-17-12-6-5-11(14)8-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3",C13H17ClO3,,,,,,PKRRSPSPRIGHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.453,216-998-8,1716-06-9,S-oleoylcoenzyme A,9-{5-O-[hydroxy(3-{[2-(oleoylsulfanyl)ethyl]amino}-3-oxopropoxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,"InChI=1/C33H56N6O12P2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(41)54-21-19-35-26(40)18-20-48-53(46,47)49-22-25-30(51-52(43,44)45)29(42)33(50-25)39-24-38-28-31(34)36-23-37-32(28)39/h9-10,23-25,29-30,33,42H,2-8,11-22H2,1H3,(H,35,40)(H,46,47)(H2,34,36,37)(H2,43,44,45)",C39H68N7O17P3S,,,,,,LAHXBQSAQOVDCF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.885,247-189-8,25692-86-8,"N2-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-glutamine",N~2~-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]-L-glutamine,CC(C)(OC(=O)N[C@@H](CCC(=O)N)C(=O)O)c1ccc(cc1)c2ccccc2,CC(C)(OC(=O)N[C@@H](CCC(=O)N)C(=O)O)c1ccc(cc1)c2ccccc2,"InChI=1/C21H24N2O5/c1-21(2,28-20(27)23-17(19(25)26)12-13-18(22)24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H2,22,24)(H,23,27)(H,25,26)",C21H24N2O5,,,,,,BQPZWQIOIKVHCC-KRWDZBQOSA-N,,,,,,,,,,,
100.042.887,247-191-9,25698-27-5,(R)-4-hydroxyphenylglycine,N-(4-hydroxyphenyl)glycine,OC(=O)CNc1ccc(O)cc1,OC(=O)CNc1ccc(O)cc1,"InChI=1/C8H9NO3/c10-7-3-1-6(2-4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12)",C8H9NO3,,,,,,WRUZLCLJULHLEY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.892,247-197-1,25709-55-1,1-(2-ethoxy-2-oxoethyl)tetrahydrothiophenium bromide,1-(2-ethoxy-2-oxoethyl)tetrahydrothiophenium bromide,[Br-].CCOC(=O)C[S+]1CCCC1,[Br-].CCOC(=O)C[S+]1CCCC1,"InChI=1/C8H15O2S.BrH/c1-2-10-8(9)7-11-5-3-4-6-11;/h2-7H2,1H3;1H/q+1;/p-1",C8H15O2S.Br,,,,,,ZYHTVZIDRZGIMI-UHFFFAOYSA-M,,,,,,,,,,,
100.042.900,247-205-3,25714-71-0,4-hydroxybutyraldehyde,4-hydroxybutanal,OCCCC=O,OCCCC=O,"InChI=1/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",C4H8O2,,,,,,PIAOXUVIBAKVSP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.910,247-216-3,25735-29-9,Trichloropropane,"1,1,1-trichloropropane",CCC(Cl)(Cl)Cl,CCC(Cl)(Cl)Cl,"InChI=1/C3H5Cl3/c1-2-3(4,5)6/h2H2,1H3",C3H5Cl3,,,,,,AVGQTJUPLKNPQP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.921,247-228-9,25744-09-6,"4,4'-(1,4-phenylenedimethylidyne)bis[2-phenyloxazol-5(4H)-one]","4,4'-(1,4-phenylenedimethylylidene)bis(2-phenyl-1,3-oxazol-5(4H)-one)",O=C4O\\C(=N/C4=Cc3ccc(C=C1/N=C(\\OC1=O)c2ccccc2)cc3)c5ccccc5,O=C4O\C(=N/C4=Cc3ccc(C=C1/N=C(\OC1=O)c2ccccc2)cc3)c5ccccc5,InChI=1/C26H16N2O4/c29-25-21(27-23(31-25)19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22-26(30)32-24(28-22)20-9-5-2-6-10-20/h1-16H,C26H16N2O4,,,,,,XYSKEVMXUOWHBI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.925,247-233-6,25746-81-0,"5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulphonic acid","5-chloro-2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonic acid",OS(=O)(=O)c3cc(Cl)cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c3O,OS(=O)(=O)c3cc(Cl)cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c3O,"InChI=1/C16H13ClN4O5S/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26/h2-8,14,22H,1H3,(H,24,25,26)",C16H13ClN4O5S,,,,,,LSFNRVBPDLEXDS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.927,247-235-7,25747-06-2,"5-chloro-3-[(1,5-dihydroxy-2-naphthyl)azo]-2-hydroxybenzenesulphonic acid","5-chloro-3-[(1,5-dihydroxy-2-naphthyl)diazenyl]-2-hydroxybenzenesulfonic acid",Clc3cc(c(O)c(N=Nc2ccc1c(O)cccc1c2O)c3)S(O)(=O)=O,Clc3cc(c(O)c(N=Nc2ccc1c(O)cccc1c2O)c3)S(O)(=O)=O,"InChI=1/C16H11ClN2O6S/c17-8-6-12(16(22)14(7-8)26(23,24)25)19-18-11-5-4-9-10(15(11)21)2-1-3-13(9)20/h1-7,20-22H,(H,23,24,25)",C16H11ClN2O6S,,,,,,IBYXVIWFHOXOFB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.237,221-159-4,3018-12-0,Dichloroacetonitrile,dichloroacetonitrile,ClC(Cl)C#N,ClC(Cl)C#N,InChI=1/C2HCl2N/c3-2(4)1-5/h2H,C2HCl2N,,,,,,STZZWJCGRKXEFF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.239,221-162-0,3019-20-3,(isopropylthio)benzene,(isopropylsulfanyl)benzene,CC(C)Sc1ccccc1,CC(C)Sc1ccccc1,"InChI=1/C9H12S/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3",C9H12S,,,,,,SNOAHAUUBQMVGW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.240,221-163-6,3019-25-8,1-cyclobutylethan-1-one,1-cyclobutylethanone,CC(=O)C1CCC1,CC(=O)C1CCC1,"InChI=1/C6H10O/c1-5(7)6-3-2-4-6/h6H,2-4H2,1H3",C6H10O,,,,,,JPJOOTWNILDNAW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.247,221-170-4,3021-31-6,2-(p-tert-butylphenoxy)cyclohexyl chlorosulphite,2-(4-tert-butylphenoxy)cyclohexyl chlorosulfite,CC(C)(C)c1ccc(OC2CCCCC2OS(=O)Cl)cc1,CC(C)(C)c1ccc(OC2CCCCC2OS(=O)Cl)cc1,"InChI=1/C16H23ClO3S/c1-16(2,3)12-8-10-13(11-9-12)19-14-6-4-5-7-15(14)20-21(17)18/h8-11,14-15H,4-7H2,1-3H3",C16H23ClO3S,,,,,,WAAUJYWIXWENKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.248,221-172-5,3021-89-4,2-pentylnon-2-enal,2-pentylnon-2-enal,CCCCCC(=CCCCCCC)C=O,CCCCCC(=CCCCCCC)C=O,"InChI=1/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3",C14H26O,,,,,,VIKQYIINCNAGJW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.756,222-830-4,7/06/3625,Mebeverine,"4-{ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino}butyl 3,4-dimethoxybenzoate",CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2,"InChI=1/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3",C25H35NO5,,,,,,VYVKHNNGDFVQGA-UHFFFAOYSA-N,Positive,SM852303,[M+H]+,HCD35,121.0648:149.0961:430.259,CASMI_2016,,,,,
100.020.760,222-835-1,3626-28-6,"Disodium 4-amino-5-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3-({4'-[(4-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Oc6ccc(N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccccc2)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5)cc6,[Na+].[Na+].Oc6ccc(N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccccc2)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5)cc6,"InChI=1/C34H25N7O8S2.2Na/c35-31-30-22(19-29(51(47,48)49)33(34(30)43)41-38-23-4-2-1-3-5-23)18-28(50(44,45)46)32(31)40-39-25-12-8-21(9-13-25)20-6-10-24(11-7-20)36-37-26-14-16-27(42)17-15-26;;/h1-19,42-43H,35H2,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C34H25N7O8S2.2Na,,,,,,DDLNJHAAABRHFY-UHFFFAOYSA-L,,,,,,,,,,,
100.018.510,220-360-4,2736-80-3,"2,2-dinitropropane-1,3-diol","2,2-dinitropropane-1,3-diol",OCC(CO)([N+](=O)[O-])[N+](=O)[O-],OCC(CO)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C3H6N2O6/c6-1-3(2-7,4(8)9)5(10)11/h6-7H,1-2H2",C3H6N2O6,,,,,,IUKKSAGYDLAHGF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.511,220-362-5,2738-18-3,"2,6-dimethylhept-3-ene","2,6-dimethylhept-3-ene",CC(C)CC=CC(C)C,CC(C)CC=CC(C)C,"InChI=1/C9H18/c1-8(2)6-5-7-9(3)4/h5-6,8-9H,7H2,1-4H3",C9H18,,,,,,KDISTZUHDQPXDE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.517,220-368-8,2740-88-7,p-fluorobenzyl isothiocyanate,1-fluoro-4-(isothiocyanatomethyl)benzene,Fc1ccc(CN=C=S)cc1,Fc1ccc(CN=C=S)cc1,"InChI=1/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2",C8H6FNS,,,,,,LPVNPJMEWWUFHD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.523,220-375-6,2743-40-0,Ethyl L-leucinate hydrochloride,ethyl L-leucinate hydrochloride,Cl.CCOC(=O)[C@@H](N)CC(C)C,Cl.CCOC(=O)[C@@H](N)CC(C)C,"InChI=1/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H",C8H17NO2.ClH,,,,,,NOUDPBCEONUCOV-FJXQXJEOSA-N,,,,,,,,,,,
100.018.528,220-380-3,2745-26-8,Furan-2-acetic acid,2-furylacetic acid,OC(=O)Cc1occc1,OC(=O)Cc1occc1,"InChI=1/C6H6O3/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)",C6H6O3,,,,,,VYSRZETUSAOIMP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.529,220-381-9,2745-27-9,Furan-2-acetyl chloride,2-furylacetyl chloride,ClC(=O)Cc1occc1,ClC(=O)Cc1occc1,"InChI=1/C6H5ClO2/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2",C6H5ClO2,,,,,,GUSVHTGHWCRLNP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.530,220-382-4,2745-49-5,"1,4-dichloro-2-(chloromethyl)benzene","1,4-dichloro-2-(chloromethyl)benzene",ClCc1cc(Cl)ccc1Cl,ClCc1cc(Cl)ccc1Cl,"InChI=1/C7H5Cl3/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2",C7H5Cl3,,,,,,OMZINLIPPVNUOG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.534,220-387-1,2748-88-1,4-methyl-1-tetradecylpyridinium chloride,4-methyl-1-tetradecylpyridinium chloride,[Cl-].CCCCCCCCCCCCCC[n+]1ccc(C)cc1,[Cl-].CCCCCCCCCCCCCC[n+]1ccc(C)cc1,"InChI=1/C20H36N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1",C20H36N.Cl,,,,,,ZCTSINFCZHUVLI-UHFFFAOYSA-M,,,,,,,,,,,
100.021.908,224-098-1,4199-89-7,"5-chloro-1,10-phenanthroline","5-chloro-1,10-phenanthroline",Clc1cc2cccnc2c3ncccc13,Clc1cc2cccnc2c3ncccc13,InChI=1/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,C12H7ClN2,,,,,,XDUUQOQFSWSZSM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.911,224-101-6,4200-91-3,"3-hexadecyldihydrofuran-2,5-dione","3-hexadecyldihydrofuran-2,5-dione",CCCCCCCCCCCCCCCCC1CC(=O)OC1=O,CCCCCCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h18H,2-17H2,1H3",C20H36O3,,,,,,GBBHWGRJHHNAGT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.912,224-102-1,4200-92-4,"Dihydro-3-octylfuran-2,5-dione","3-octyldihydrofuran-2,5-dione",CCCCCCCCC1CC(=O)OC1=O,CCCCCCCCC1CC(=O)OC1=O,"InChI=1/C12H20O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h10H,2-9H2,1H3",C12H20O3,,,,,,OAJCSERLBQROJC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.917,224-107-9,4201-91-6,Sodium 1-(1-phenylpentyl) camphorate,"sodium 2,2,3-trimethyl-3-{[(1-phenylpentyl)oxy]carbonyl}cyclopentanecarboxylate",[Na+].CCCCC(OC(=O)C1(C)CCC(C(=O)[O-])C1(C)C)c2ccccc2,[Na+].CCCCC(OC(=O)C1(C)CCC(C(=O)[O-])C1(C)C)c2ccccc2,"InChI=1/C21H30O4.Na/c1-5-6-12-17(15-10-8-7-9-11-15)25-19(24)21(4)14-13-16(18(22)23)20(21,2)3;/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,22,23);/q;+1/p-1",C21H30O4.Na,,,,,,BQQNNFIQWYZEDL-UHFFFAOYSA-M,,,,,,,,,,,
100.021.920,224-111-0,4202-38-4,Dodecyl isocyanate,1-isocyanatododecane,CCCCCCCCCCCCN=C=O,CCCCCCCCCCCCN=C=O,"InChI=1/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3",C13H25NO,,,,,,YIDSTEJLDQMWBR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.929,224-121-5,4205-91-8,Clonidine hydrochloride,"2,6-dichloro-N-imidazolidin-2-ylideneaniline hydrochloride",Cl.Clc1cccc(Cl)c1N=C2NCCN2,Cl.Clc1cccc(Cl)c1N=C2NCCN2,"InChI=1/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H",C9H9Cl2N3.ClH,,,,,,ZNIFSRGNXRYGHF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.936,224-128-3,4208-49-5,Allyl 2-furoate,allyl 2-furoate,C=CCOC(=O)c1occc1,C=CCOC(=O)c1occc1,"InChI=1/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2",C8H8O3,,,,,,SJRQTHAMRUOPBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.941,224-134-6,3/02/4209,1-(4-bromophenyl)-2-chloroethan-1-one,1-(4-bromophenyl)-2-chloroethanone,ClCC(=O)c1ccc(Br)cc1,ClCC(=O)c1ccc(Br)cc1,"InChI=1/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2",C8H6BrClO,,,,,,HCQNNQFCUAGJBD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.945,224-138-8,4211-44-3,"1,3-bis(hydroxymethyl)-4,5-dimethoxyimidazolidin-2-one","1,3-bis(hydroxymethyl)-4,5-dimethoxyimidazolidin-2-one",COC1C(OC)N(CO)C(=O)N1CO,COC1C(OC)N(CO)C(=O)N1CO,"InChI=1/C7H14N2O5/c1-13-5-6(14-2)9(4-11)7(12)8(5)3-10/h5-6,10-11H,3-4H2,1-2H3",C7H14N2O5,,,,,,HLMMQBJMGNRPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.946,224-139-3,4212-43-5,Peroxypropionic acid,propaneperoxoic acid,CCC(=O)OO,CCC(=O)OO,"InChI=1/C3H6O3/c1-2-3(4)6-5/h5H,2H2,1H3",C3H6O3,,,,,,CZPZWMPYEINMCF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.803,216-283-0,1546-95-8,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid","2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)",C7H2F12O2,,,,,,JZHDEEOTEUVLHR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.810,216-290-9,1551-44-6,Cyclohexyl butyrate,cyclohexyl butyrate,CCCC(=O)OC1CCCCC1,CCCC(=O)OC1CCCCC1,"InChI=1/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3",C10H18O2,,,,,,VZHUBBUZNIULNM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.811,216-291-4,1552-12-1,"(Z,Z)-cycloocta-1,5-diene","cycloocta-1,5-diene",C1CC=CCCC=C1,C1CC=CCCC=C1,"InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2",C8H12,,,,,,VYXHVRARDIDEHS-QGTKBVGQSA-N,,,,,,,,,,,
100.014.819,216-300-1,1553-34-0,Metixene hydrochloride,1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine hydrochloride,Cl.CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1,Cl.CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1,"InChI=1/C20H23NS.ClH/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H",C20H23NS.ClH,,,,,,RSXZRFHNNTTWCB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.821,216-302-2,1553-60-2,Ibufenac,(4-isobutylphenyl)acetic acid,CC(C)Cc1ccc(CC(=O)O)cc1,CC(C)Cc1ccc(CC(=O)O)cc1,"InChI=1/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)",C12H16O2,,,,,,CYWFCPPBTWOZSF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.824,216-305-9,1555-58-4,"3,3'-(methylimino)bispropiononitrile","3,3'-(methylimino)dipropanenitrile",CN(CCC#N)CCC#N,CN(CCC#N)CCC#N,"InChI=1/C7H11N3/c1-10(6-2-4-8)7-3-5-9/h2-3,6-7H2,1H3",C7H11N3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18550,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.824,NPMCIHCQSNHBDX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.829,216-311-1,1556-18-9,Iodocyclopentane,iodocyclopentane,IC1CCCC1,IC1CCCC1,"InChI=1/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2",C5H9I,,,,,,PCEBAZIVZVIQEO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.920,242-829-2,19132-56-0,Niobium pentahydroxide,-,[OH-].[OH-].[OH-].[OH-].[OH-].[Nb+2],[OH-].[OH-].[OH-].[OH-].[OH-].[Nb+2],InChI=1/Nb.5H2O/h;5*1H2/q+2;;;;;/p-5,H5NbO5,,,,,,PRFUUOKMJHYWPW-UHFFFAOYSA-I,,,,,,,,,,,
100.038.922,242-831-3,19135-17-2,4-nitrophenyl 4-[(aminoiminomethyl)amino]benzoate monohydrochloride,4-nitrophenyl 4-carbamimidamidobenzoate hydrochloride,Cl.NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],Cl.NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C14H12N4O4.ClH/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21;/h1-8H,(H4,15,16,17);1H",C14H12N4O4.ClH,,,,,,PKSBDZOBYIKNGY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.935,242-846-5,19153-98-1,Gold(1+) trisodium disulphite,gold(1+) trisodium disulphite,[Na+].[Na+].[Na+].[Au+].[O-]S(=O)[O-].[O-]S(=O)[O-],[Na+].[Na+].[Na+].[Au+].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/Au.3Na.2H2O3S/c;;;;2*1-4(2)3/h;;;;2*(H2,1,2,3)/q4*+1;;/p-4",Au.2H2O3S.3Na,,,,,,YZFKUFJKKKTKSB-UHFFFAOYSA-J,,,,,,,,,,,
100.038.945,242-857-5,19177-72-1,"1-phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea","1-phenyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea",OC(NC(=O)Nc1ccccc1)C(Cl)(Cl)Cl,OC(NC(=O)Nc1ccccc1)C(Cl)(Cl)Cl,"InChI=1/C9H9Cl3N2O2/c10-9(11,12)7(15)14-8(16)13-6-4-2-1-3-5-6/h1-5,7,15H,(H2,13,14,16)",C9H9Cl3N2O2,,,,,,VEEYNMFORWXFOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.947,242-859-6,19179-36-3,"3,5-dihydroxybenzonitrile","3,5-dihydroxybenzonitrile",Oc1cc(O)cc(c1)C#N,Oc1cc(O)cc(c1)C#N,"InChI=1/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H",C7H5NO2,,,,,,ABHOEQJNEOMTEK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.949,242-861-7,19182-05-9,N-ethyl-4-octyl-N-(4-octylphenyl)aniline,N-ethyl-4-octyl-N-(4-octylphenyl)aniline,CCCCCCCCc1ccc(cc1)N(CC)c2ccc(CCCCCCCC)cc2,CCCCCCCCc1ccc(cc1)N(CC)c2ccc(CCCCCCCC)cc2,"InChI=1/C30H47N/c1-4-7-9-11-13-15-17-27-19-23-29(24-20-27)31(6-3)30-25-21-28(22-26-30)18-16-14-12-10-8-5-2/h19-26H,4-18H2,1-3H3",C30H47N,,,,,,SCZZLKXIDKQDDI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.950,242-862-2,19184-59-9,Dodecylethyldimethylammonium hydroxide,"N-ethyl-N,N-dimethyldodecan-1-aminium hydroxide",[OH-].CCCCCCCCCCCC[N+](C)(C)CC,[OH-].CCCCCCCCCCCC[N+](C)(C)CC,"InChI=1/C16H36N.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H2/q+1;/p-1",C16H36N.HO,,,,,,RDMGYRFGSBZYHW-UHFFFAOYSA-M,,,,,,,,,,,
100.038.952,242-864-3,19189-20-9,Samarium tris(2-ethylhexanoate),-,[Sm+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Sm+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Sm/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+2/p-3",C8H16O2.1/3Sm,,,,,,OTTOSAJEXVGWPP-UHFFFAOYSA-K,,,,,,,,,,,
100.042.929,247-237-8,25747-08-4,3-hydroxy-4-[(1-hydroxy-2-naphthyl)azo]-7-nitronaphthalene-1-sulphonic acid,3-hydroxy-4-[(1-hydroxy-2-naphthyl)diazenyl]-7-nitronaphthalene-1-sulfonic acid,OS(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccc(cc34)[N+]([O-])=O,OS(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccc(cc34)[N+]([O-])=O,"InChI=1/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)",C20H13N3O7S,,,,,,GDHWAXDSTKHEAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.930,247-238-3,25747-21-1,5-[[4-[(4-sulphophenyl)azo]phenyl]azo]salicylic acid,2-hydroxy-5-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)benzoic acid,O=C(O)c1cc(ccc1O)N=Nc3ccc(N=Nc2ccc(cc2)S(O)(=O)=O)cc3,O=C(O)c1cc(ccc1O)N=Nc3ccc(N=Nc2ccc(cc2)S(O)(=O)=O)cc3,"InChI=1/C19H14N4O6S/c24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)",C19H14N4O6S,,,,,,VVHOUPGUNISBKS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.457,217-002-4,1718-34-9,Sodium 5-[(4-nitrophenyl)azo]salicylate,sodium 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoate,[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)[N+]([O-])=O,[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)[N+]([O-])=O,"InChI=1/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1",C13H9N3O5.Na,,,,,,HXKKTXMJSVFQSL-UHFFFAOYSA-M,,,,,,,,,,,
100.015.460,217-006-6,1719-57-9,Chloro(chloromethyl)dimethylsilane,chloro(chloromethyl)dimethylsilane,C[Si](C)(Cl)CCl,C[Si](C)(Cl)CCl,"InChI=1/C3H8Cl2Si/c1-6(2,5)3-4/h3H2,1-2H3",C3H8Cl2Si,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16207,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.460,ITKVLPYNJQOCPW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.331,243-280-1,19764-58-0,"N2,N2-dimethylpropane-1,2-diamine","N~2~,N~2~-dimethylpropane-1,2-diamine",CC(CN)N(C)C,CC(CN)N(C)C,"InChI=1/C5H14N2/c1-5(4-6)7(2)3/h5H,4,6H2,1-3H3",C5H14N2,,,,,,WNLWBCIUNCAMPH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.334,243-283-8,19766-89-3,Sodium 2-ethylhexanoate,sodium 2-ethylhexanoate,[Na+].CCCCC(CC)C(=O)[O-],[Na+].CCCCC(CC)C(=O)[O-],"InChI=1/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",C8H16O2.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11362,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.334,VYPDUQYOLCLEGS-UHFFFAOYSA-M,,,,,,,,,,,
100.039.337,243-286-4,19767-91-0,2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl nicotinate,2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl nicotinate,COc1cc(ccc1O)C(=O)COC(=O)c2cccnc2,COc1cc(ccc1O)C(=O)COC(=O)c2cccnc2,"InChI=1/C15H13NO5/c1-20-14-7-10(4-5-12(14)17)13(18)9-21-15(19)11-3-2-6-16-8-11/h2-8,17H,9H2,1H3",C15H13NO5,,,,,,FELGAPTYPKHPJC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.346,243-296-9,19780-11-1,3-(2-dodecenyl)succinic anhydride,"3-dodec-2-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1CC=CCCCCCCCCC,O=C1OC(=O)CC1CC=CCCCCCCCCC,"InChI=1/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3",C16H26O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5830,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.346,UYCICMIUKYEYEU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.349,243-300-9,19780-35-9,"Ethyl 2,3-epoxybutyrate",ethyl 3-methyloxirane-2-carboxylate,CCOC(=O)C1OC1C,CCOC(=O)C1OC1C,"InChI=1/C6H10O3/c1-3-8-6(7)5-4(2)9-5/h4-5H,3H2,1-2H3",C6H10O3,,,,,,VYXHEFOZRVPJRK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.353,243-305-6,19780-85-9,1-(2-hydroxyethyl)piperidine-4-propanol,3-[1-(2-hydroxyethyl)piperidin-4-yl]propan-1-ol,OCCCC1CCN(CCO)CC1,OCCCC1CCN(CCO)CC1,"InChI=1/C10H21NO2/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h10,12-13H,1-9H2",C10H21NO2,,,,,,QCZXNEGHMZUDNS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.355,243-307-7,19781-72-7,Henicosan-11-one,henicosan-11-one,CCCCCCCCCCC(=O)CCCCCCCCCC,CCCCCCCCCCC(=O)CCCCCCCCCC,"InChI=1/C21H42O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",C21H42O,,,,,,DOACSXJVHDTDSG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.374,243-328-1,19803-62-4,"N,N''-bis[[(4-chlorophenyl)amino]iminomethyl]piperazine-1,4-dicarboxamidine dihydrochloride","N~1~,N~4~-bis[(4-chlorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide dihydrochloride",Cl.Cl.Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc3ccc(Cl)cc3)cc1,Cl.Cl.Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc3ccc(Cl)cc3)cc1,"InChI=1/C20H24Cl2N10.2ClH/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16;;/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30);2*1H",C20H24Cl2N10.2ClH,,,,,,VJVSCTKGPDDOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.664,222-730-0,4/05/3590,N-[(p-aminophenyl)sulphonyl]-N-(3-methoxypyrazinyl)acetamide,N-[(4-aminophenyl)sulfonyl]-N-(3-methoxypyrazin-2-yl)acetamide,COc1nccnc1N(C(=O)C)S(=O)(=O)c2ccc(N)cc2,COc1nccnc1N(C(=O)C)S(=O)(=O)c2ccc(N)cc2,"InChI=1/C13H14N4O4S/c1-9(18)17(12-13(21-2)16-8-7-15-12)22(19,20)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3",C13H14N4O4S,,,,,,GWVCIJWBGGVDJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.671,222-737-9,3593-96-2,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl hexanoate",CCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3",C27H40O6,,,,,,XZSVYVIYKBHVMV-FOMYWIRZSA-N,,,,,,,,,,,
100.020.676,222-743-1,3597-26-0,Piperazine sulphate,piperazine sulfate,OS(=O)(=O)O.C1CNCCN1,OS(=O)(=O)O.C1CNCCN1,"InChI=1/C4H10N2.H2O4S/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H2,1,2,3,4)",C4H10N2.xH2O4S,,,,,,MYNIYCGOBKAQAO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.679,222-746-8,3598-16-1,Sodium phenoxyacetate hemihydrate,sodium phenoxyacetate,[Na]OC(=O)COc1ccccc1,[Na]OC(=O)COc1ccccc1,"InChI=1/C8H8O3.Na/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1",C8H8O3.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12606,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.679,WPTJBFNYRRZIDZ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.762,222-837-2,3626-35-5,Sodium p-[(4-amino-5-methoxy-o-tolyl)azo]benzenesulphonate,sodium 4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]benzenesulfonate,[Na+].Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S([O-])(=O)=O,[Na+].Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S([O-])(=O)=O,"InChI=1/C14H15N3O4S.Na/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)22(18,19)20;/h3-8H,15H2,1-2H3,(H,18,19,20);/q;+1/p-1",C14H15N3O4S.Na,,,,,,JDMWNDRLWBRPGG-UHFFFAOYSA-M,,,,,,,,,,,
100.020.771,222-847-7,3627-62-1,1-methyl-4-phenylpiperidine-4-carbonitrile,1-methyl-4-phenylpiperidine-4-carbonitrile,CN1CCC(CC1)(C#N)c2ccccc2,CN1CCC(CC1)(C#N)c2ccccc2,"InChI=1/C13H16N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3",C13H16N2,,,,,,ZLFQTZYFXYOGLS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.772,222-848-2,3632-91-5,Magnesium digluconate,"magnesium bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",OCC(O)C(O)C(O)C(O)C(=O)O[Mg]OC(=O)C(O)C(O)C(O)C(O)CO,OCC(O)C(O)C(O)C(O)C(=O)O[Mg]OC(=O)C(O)C(O)C(O)C(O)CO,"InChI=1/2C6H12O7.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C6H12O7.1/2Mg,,,,,,CTUVIUYTHWPELF-UHFFFAOYSA-L,,,,,,,,,,,
100.020.782,222-859-2,2/01/3637,"1-(3,4-dimethylphenyl)ethan-1-one","1-(3,4-dimethylphenyl)ethanone",CC(=O)c1ccc(C)c(C)c1,CC(=O)c1ccc(C)c(C)c1,"InChI=1/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3",C10H12O,,,,,,WPRAXAOJIODQJR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.781,216-258-4,1536-23-8,"2,3,4,5,6-pentafluorobenzophenone",(pentafluorophenyl)(phenyl)methanone,Fc1c(F)c(F)c(C(=O)c2ccccc2)c(F)c1F,Fc1c(F)c(F)c(C(=O)c2ccccc2)c(F)c1F,InChI=1/C13H5F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5H,C13H5F5O,,,,,,HCCPWBWOSASKLG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.782,216-260-5,1538-09-6,Benzathine benzylpenicillin,"3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - N,N'-dibenzylethane-1,2-diamine (2:1)",CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC4(C)S[C@@H]5[C@H](NC(=O)Cc6ccccc6)C(=O)N5[C@H]4C(=O)O.C(CNCc7ccccc7)NCc8ccccc8,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC4(C)S[C@@H]5[C@H](NC(=O)Cc6ccccc6)C(=O)N5[C@H]4C(=O)O.C(CNCc7ccccc7)NCc8ccccc8,"InChI=1/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2",C16H20N2.2C16H18N2O4S,,,,,,BVGLIYRKPOITBQ-ANPZCEIESA-N,,,,,,,,,,,
100.014.787,216-265-2,1539-06-6,4-acetamido-3-nitrobenzoic acid,4-acetamido-3-nitrobenzoic acid,CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(=O)O,CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(=O)O,"InChI=1/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)",C9H8N2O5,,,,,,BRQIMWBIZLRLSV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.788,216-266-8,1539-42-0,N-(2-pyridylmethyl)pyridine-2-methylamine,1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine,C(NCc1ccccn1)c2ccccn2,C(NCc1ccccn1)c2ccccn2,"InChI=1/C12H13N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1-8,13H,9-10H2",C12H13N3,,,,,,KXZQYLBVMZGIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.790,216-268-9,1540-24-5,4-ethoxypent-3-en-2-one,4-ethoxypent-3-en-2-one,CC(=O)C=C(C)OCC,CC(=O)C=C(C)OCC,"InChI=1/C7H12O2/c1-4-9-7(3)5-6(2)8/h5H,4H2,1-3H3",C7H12O2,,,,,,QYEVFNRONKBUNY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.793,216-272-0,1540-34-7,"3-ethylpentane-2,4-dione","3-ethylpentane-2,4-dione",CCC(C(=O)C)C(=O)C,CCC(C(=O)C)C(=O)C,"InChI=1/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3",C7H12O2,,,,,,GUARKOVVHJSMRW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.794,216-273-6,1540-35-8,"3-propylpentane-2,4-dione","3-propylpentane-2,4-dione",CCCC(C(=O)C)C(=O)C,CCCC(C(=O)C)C(=O)C,"InChI=1/C8H14O2/c1-4-5-8(6(2)9)7(3)10/h8H,4-5H2,1-3H3",C8H14O2,,,,,,AQGSZYZZVTYOMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.809,216-289-3,1551-43-5,Cyclohexyl valerate,cyclohexyl valerate,CCCCC(=O)OC1CCCCC1,CCCCC(=O)OC1CCCCC1,"InChI=1/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3",C11H20O2,,,,,,YLCHTSSXNSNXSW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.812,216-293-5,1552-42-7,"6-dimethylamino-3,3-bis(4-dimethylaminophenyl)phthalide","6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one",CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4)N(C)C,CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4)N(C)C,"InChI=1/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3",C26H29N3O2,,,,,,IPAJDLMMTVZVPP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.814,216-295-6,1552-47-2,5-tert-butyl-2-[4-[2-[5-tert-butylbenzoxazol-2-yl]vinyl]phenyl]benzoxazole,"5-tert-butyl-2-{2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]vinyl}-1,3-benzoxazole",CC(C)(C)c1ccc2oc(\\C=C\\c3ccc(cc3)c4oc5ccc(cc5n4)C(C)(C)C)nc2c1,CC(C)(C)c1ccc2oc(\C=C\c3ccc(cc3)c4oc5ccc(cc5n4)C(C)(C)C)nc2c1,"InChI=1/C30H30N2O2/c1-29(2,3)21-12-14-25-23(17-21)31-27(33-25)16-9-19-7-10-20(11-8-19)28-32-24-18-22(30(4,5)6)13-15-26(24)34-28/h7-18H,1-6H3",C30H30N2O2,,,,,,XHNZHISSLFRVLB-CXUHLZMHSA-N,,,,,,,,,,,
100.014.816,216-297-7,1552-92-7,Ethyl cyclohexylideneacetate,ethyl cyclohexylideneacetate,CCOC(=O)C=C1CCCCC1,CCOC(=O)C=C1CCCCC1,"InChI=1/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3",C10H16O2,,,,,,MCWDXHYYYNGYGK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.947,224-140-9,4213-45-0,"N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine dihydrochloride","N~1~,N~1~-bis(2-chloroethyl)-N~4~-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine dihydrochloride",Cl.Cl.COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1,Cl.Cl.COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1,"InChI=1/C23H28Cl3N3O.2ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);2*1H",C23H28Cl3N3O.2ClH,,,,,,JETDZFFCRPFPDH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.949,224-143-5,4214-74-8,"3,5-dichloro-3-pyridylamine","3,5-dichloropyridin-2-amine",Nc1ncc(Cl)cc1Cl,Nc1ncc(Cl)cc1Cl,"InChI=1/C5H4Cl2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)",C5H4Cl2N2,,,,,,OCWBGKZFOYMCCN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.952,224-146-1,4214-79-3,5-chloropyridin-2-ol,5-chloropyridin-2-ol,Oc1ccc(Cl)cn1,Oc1ccc(Cl)cn1,"InChI=1/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)",C5H4ClNO,,,,,,SZFUWUOHDRMCKD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.995,221-993-9,3308-94-9,"2-(3-chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane","2-(3-chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane",Fc1ccc(cc1)C2(CCCCl)OCCO2,Fc1ccc(cc1)C2(CCCCl)OCCO2,"InChI=1/C12H14ClFO2/c13-7-1-6-12(15-8-9-16-12)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2",C12H14ClFO2,,,,,,FXFDJSQOCVDXBX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.997,221-996-5,3311-94-2,"1,1'-(4-chloro-1-butenylidene)bis[4-fluorobenzene]","1,1'-(4-chlorobut-1-ene-1,1-diyl)bis(4-fluorobenzene)",Fc1ccc(cc1)C(=CCCCl)c2ccc(F)cc2,Fc1ccc(cc1)C(=CCCCl)c2ccc(F)cc2,"InChI=1/C16H13ClF2/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h2-10H,1,11H2",C16H13ClF2,,,,,,SGZXIWYCGSJFEF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.998,221-997-0,3311-99-7,1-(4-chloro-1-phenylbutyl)-4-fluorobenzene,1-(4-chloro-1-phenylbutyl)-4-fluorobenzene,Fc1ccc(cc1)C(CCCCl)c2ccccc2,Fc1ccc(cc1)C(CCCCl)c2ccccc2,"InChI=1/C16H16ClF/c17-12-4-7-16(13-5-2-1-3-6-13)14-8-10-15(18)11-9-14/h1-3,5-6,8-11,16H,4,7,12H2",C16H16ClF,,,,,,LJSMZTZPLOWAHK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.999,221-998-6,7/04/3312,"1,1'-(4-chlorobutylidene)bis[4-fluorobenzene]","1,1'-(4-chlorobutane-1,1-diyl)bis(4-fluorobenzene)",Fc1ccc(cc1)C(CCCCl)c2ccc(F)cc2,Fc1ccc(cc1)C(CCCCl)c2ccc(F)cc2,"InChI=1/C16H15ClF2/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,1-2,11H2",C16H15ClF2,,,,,,UXXLTPGCINZEFM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.752,223-926-9,4124-41-8,Toluene-p-sulphonic anhydride,toluene-p-sulphonic anhydride,Cc1ccc(cc1)S(=O)(=O)OS(=O)(=O)c2ccc(C)cc2,Cc1ccc(cc1)S(=O)(=O)OS(=O)(=O)c2ccc(C)cc2,"InChI=1/C14H14O5S2/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3",C14H14O5S2,,,,,,PDVFSPNIEOYOQL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.755,223-930-0,4124-76-9,N-benzyloxycarbonyl-L-glutamic anhydride,"5,5'-oxybis(4-{[(benzyloxy)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name)",OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2,OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2,"InChI=1/C26H28N2O11/c29-21(30)13-11-19(27-25(35)37-15-17-7-3-1-4-8-17)23(33)39-24(34)20(12-14-22(31)32)28-26(36)38-16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,27,35)(H,28,36)(H,29,30)(H,31,32)",C13H13NO5,,,,,,QPCWVANVMONZDQ-PMACEKPBSA-N,,,,,,,,,,,
100.021.756,223-931-6,4124-87-2,2-octylundecanedioic acid,2-octylundecanedioic acid,CCCCCCCCC(CCCCCCCCC(=O)O)C(=O)O,CCCCCCCCC(CCCCCCCCC(=O)O)C(=O)O,"InChI=1/C19H36O4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)(H,22,23)",C19H36O4,,,,,,IGMCTDOFLKWLPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.771,223-947-3,4131-68-4,"2-hydroxy-2,4-dimethylvaleronitrile","2-hydroxy-2,4-dimethylpentanenitrile",CC(C)CC(C)(O)C#N,CC(C)CC(C)(O)C#N,"InChI=1/C7H13NO/c1-6(2)4-7(3,9)5-8/h6,9H,4H2,1-3H3",C7H13NO,,,,,,DWZKXPAWEWMLEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.772,223-948-9,4131-74-2,"Dimethyl 3,3'-thiobispropionate","dimethyl 3,3'-sulfanediyldipropanoate",COC(=O)CCSCCC(=O)OC,COC(=O)CCSCCC(=O)OC,"InChI=1/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3",C8H14O4S,,,,,,MYWWWNVEZBAKHR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.773,223-949-4,4131-76-4,Methyl 2-methyl-3-mercaptopropionate,methyl 2-methyl-3-sulfanylpropanoate,COC(=O)C(C)CS,COC(=O)C(C)CS,"InChI=1/C5H10O2S/c1-4(3-8)5(6)7-2/h4,8H,3H2,1-2H3",C5H10O2S,,,,,,PXSVQMKXJZTWPN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.775,223-952-0,4132-48-3,p-isopropylanisole,1-isopropyl-4-methoxybenzene,COc1ccc(cc1)C(C)C,COc1ccc(cc1)C(C)C,"InChI=1/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3",C10H14O,,,,,,JULZQKLZSNOEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.777,223-954-1,4133-34-0,"7-methoxy-1,2,3,4-tetrahydronaphthalen-2-one","7-methoxy-3,4-dihydronaphthalen-2(1H)-one",COc1ccc2CCC(=O)Cc2c1,COc1ccc2CCC(=O)Cc2c1,"InChI=1/C11H12O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7H,2,4,6H2,1H3",C11H12O2,,,,,,XEAPZXNZOJGVCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.780,223-957-8,4136-37-2,"(S)-2-carboxy-1,1-dimethylpyrrolidinium chloride","2-carboxy-1,1-dimethylpyrrolidinium chloride",[Cl-].C[N+]1(C)CCC[C@H]1C(=O)O,[Cl-].C[N+]1(C)CCC[C@H]1C(=O)O,"InChI=1/C7H13NO2.ClH/c1-8(2)5-3-4-6(8)7(9)10;/h6H,3-5H2,1-2H3;1H",C7H14NO2.Cl,,,,,,DUNMULOWUUIQIL-RGMNGODLSA-N,,,,,,,,,,,
100.042.942,247-251-4,25764-17-4,Chloroethoxymagnesium,magnesium chloride ethanolate,CCO[Mg]Cl,CCO[Mg]Cl,"InChI=1/C2H5O.ClH.Mg/c1-2-3;;/h2H2,1H3;1H;/q-1;;+2/p-1/rC2H5ClMgO/c1-2-5-4-3/h2H2,1H3",C2H5ClMgO,,,,,,KRTCPMDBLDWJQY-UHFFFAOYSA-M,,,,,,,,,,,
100.042.943,247-253-5,25767-20-8,"Tetramethyl 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionate","tetramethyl 3,3',3'',3'''-(3,8,13,18-tetramethylporphine-2,7,12,17-tetrayl)tetrapropanoate",COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CCC(=O)OC)C)C(=C4CCC(=O)OC)C)C(=C3CCC(=O)OC)C,COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CCC(=O)OC)C)C(=C4CCC(=O)OC)C)C(=C3CCC(=O)OC)C,"InChI=1/C40H44N4O8/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33/h17-20H,9-16H2,1-8H3",C40H46N4O8,,,,,,XTJFWXWONRQZQT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.957,247-268-7,25797-78-8,"5-amino-N-(2-hydroxyethyl)-2,3-xylenesulphonamide","5-amino-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide",Cc1cc(N)cc(c1C)S(=O)(=O)NCCO,Cc1cc(N)cc(c1C)S(=O)(=O)NCCO,"InChI=1/C10H16N2O3S/c1-7-5-9(11)6-10(8(7)2)16(14,15)12-3-4-13/h5-6,12-13H,3-4,11H2,1-2H3",C10H16N2O3S,,,,,,OAXALELBVDDFOC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.960,247-271-3,25803-14-9,Clometacin,[3-(4-chlorobenzoyl)-6-methoxy-2-methyl-1H-indol-1-yl]acetic acid,COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1,COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1,"InChI=1/C19H16ClNO4/c1-11-18(19(24)12-3-5-13(20)6-4-12)15-8-7-14(25-2)9-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)",C19H16ClNO4,,,,,,DGMZLCLHHVYDIS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.961,247-272-9,25804-49-3,tert-butyl 4-hydroxybenzoate,tert-butyl 4-hydroxybenzoate,CC(C)(C)OC(=O)c1ccc(O)cc1,CC(C)(C)OC(=O)c1ccc(O)cc1,"InChI=1/C11H14O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,12H,1-3H3",C11H14O3,,,,,,WHWMOMRHHQLBQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.966,247-278-1,25808-74-6,Lead hexafluorosilicate,lead(4+) dihexafluorosilicate,[Pb+2].F[Si-2](F)(F)(F)(F)F,[Pb+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.Pb.2H/c1-7(2,3,4,5)6;;;/q-2;+4;;/rF6Si.H2Pb/c1-7(2,3,4,5)6;/h;1H2/q-2;+4",F6Si.Pb,,,,,,AIEQFQFGMBAKSG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.967,247-279-7,25811-35-2,"2,2-bis[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate","3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)",CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC,CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC,"InChI=1/C33H60O8/c1-5-9-13-17-21-29(34)38-25-33(26-39-30(35)22-18-14-10-6-2,27-40-31(36)23-19-15-11-7-3)28-41-32(37)24-20-16-12-8-4/h5-28H2,1-4H3",C33H60O8,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11374,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.967,NCGQPNAQUYGWMI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.972,247-284-4,25826-07-7,"5,11,13,15-tetrachlorotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene","5,11,13,16-tetrachlorotricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene",Clc1cc2CCc3c(Cl)cc(CCc1cc2Cl)cc3Cl,Clc1cc2CCc3c(Cl)cc(CCc1cc2Cl)cc3Cl,"InChI=1/C16H12Cl4/c17-13-8-11-3-4-12-15(19)5-9(6-16(12)20)1-2-10(13)7-14(11)18/h5-8H,1-4H2",C16H12Cl4,,,,,,NOYGLJASKDAWAY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.790,222-868-1,3641-13-2,"5-amino-1H-1,2,4-triazole-3-carboxylic acid","5-amino-4H-1,2,4-triazole-3-carboxylic acid",Nc1nnc([nH]1)C(=O)O,Nc1nnc([nH]1)C(=O)O,"InChI=1/C3H4N4O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H3,4,5,6,7)",C3H4N4O2,,,,,,MVRGLMCHDCMPKD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.792,222-870-2,3643-70-7,"3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane","3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",ClP1OCC2(COP(Cl)OC2)CO1,ClP1OCC2(COP(Cl)OC2)CO1,InChI=1/C5H8Cl2O4P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2,C5H8Cl2O4P2,,,,,,KHUMEUDRBMWIBR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.795,222-873-9,3644-38-0,Tributyl(pentachlorophenoxy)stannane,tributyl(pentachlorophenoxy)stannane,CCCC[Sn](CCCC)(CCCC)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CCCC[Sn](CCCC)(CCCC)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C6HCl5O.3C4H9.Sn/c7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-3-4-2;/h12H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H27Cl5OSn/c1-4-7-10-25(11-8-5-2,12-9-6-3)24-18-16(22)14(20)13(19)15(21)17(18)23/h4-12H2,1-3H3",C18H27Cl5OSn,,,,,,AGSMIWJKNRFJRL-UHFFFAOYSA-M,,,,,,,,,,,
100.020.797,222-876-5,3644-61-9,"2,4'-dimethyl-3-piperidinopropiophenone hydrochloride",2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride,Cl.CC(CN1CCCCC1)C(=O)c2ccc(C)cc2,Cl.CC(CN1CCCCC1)C(=O)c2ccc(C)cc2,"InChI=1/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H",C16H23NO.ClH,,,,,,ZBUVYROEHQQAKL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.798,222-877-0,3645-00-9,2-hydroxyethyl methyl terephthalate,2-hydroxyethyl methyl terephthalate,COC(=O)c1ccc(cc1)C(=O)OCCO,COC(=O)c1ccc(cc1)C(=O)OCCO,"InChI=1/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3",C11H12O5,,,,,,DJQMYWWZWUOCBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.799,222-878-6,3646-28-4,Oestr-4-en-17-one,estr-4-en-17-one,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CCC2=O,"InChI=1/C18H26O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h4,13-16H,2-3,5-11H2,1H3",C18H26O,,,,,,OLYAEHZZXXLNQQ-QXUSFIETSA-N,,,,,,,,,,,
100.020.683,222-751-5,3599-32-4,"Sodium 2-[7-[3,3-dimethyl-1-(4-sulfonatobutyl)benz[e]indolin-2-ylidene]hepta-1,3,5-trien-1-yl]-3,3-dimethyl-1-(4-sulfonatobutyl)benz[e]indolinium","sodium 4-(2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate",[Na+].CC1(C)\\C(=C/C=C\\C=C/C=C\\C2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)\\N(CCCCS(=O)(=O)[O-])c5ccc6ccccc6c15,[Na+].CC1(C)\C(=C/C=C\C=C/C=C\C2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)\N(CCCCS(=O)(=O)[O-])c5ccc6ccccc6c15,"InChI=1/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1",C43H48N2O6S2.Na,,,,,,MOFVSTNWEDAEEK-UHFFFAOYSA-M,,,,,,,,,,,
100.020.685,222-753-6,3599-89-1,Propionamidine hydrochloride,propanimidamide hydrochloride,Cl.CCC(=N)N,Cl.CCC(=N)N,"InChI=1/C3H8N2.ClH/c1-2-3(4)5;/h2H2,1H3,(H3,4,5);1H",C3H8N2.ClH,,,,,,DFWRZHZPJJAJMX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.689,222-757-8,3602-55-9,2-tert-butyl-p-benzoquinone,"2-tert-butyl-1,4-benzoquinone",CC(C)(C)C1=CC(=O)C=CC1=O,CC(C)(C)C1=CC(=O)C=CC1=O,"InChI=1/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3",C10H12O2,,,,,,NCCTVAJNFXYWTM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.692,222-760-4,3604-87-3,"(2ß,3ß,5ß,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one","2,3,14,22,25-pentahydroxycholest-7-en-6-one",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3",C27H44O6,,,,,,UPEZCKBFRMILAV-JMZLNJERSA-N,,,,,,,,,,,
100.020.695,222-764-6,4/01/3605,Piribedil,"2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine",C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3,C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3,"InChI=1/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2",C16H18N4O2,,,,,,OQDPVLVUJFGPGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.700,222-769-3,3606-21-1,"5-methyl-2,4-dinitroanisole","1-methoxy-5-methyl-2,4-dinitrobenzene",COc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],COc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O5/c1-5-3-8(15-2)7(10(13)14)4-6(5)9(11)12/h3-4H,1-2H3",C8H8N2O5,,,,,,XLPFUGPSJUAQSY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.703,222-773-5,3608-17-1,"a,3,7,7-tetramethylbicyclo[4.1.0]heptane-4-methanol","1-(4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)ethanol",CC(O)C1CC2C(CC1C)C2(C)C,CC(O)C1CC2C(CC1C)C2(C)C,"InChI=1/C12H22O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h7-11,13H,5-6H2,1-4H3",C12H22O,,,,,,KJTWLZQJNFGTAH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.710,222-780-3,3611-72-1,Cloridarol,1-benzofuran-2-yl(4-chlorophenyl)methanol,OC(c1oc2ccccc2c1)c3ccc(Cl)cc3,OC(c1oc2ccccc2c1)c3ccc(Cl)cc3,"InChI=1/C15H11ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15,17H",C15H11ClO2,,,,,,KBFBRIPYVVGWRS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.709,219-479-4,2444-19-1,p-hydroxyphenyl benzoate,4-hydroxyphenyl benzoate,Oc1ccc(OC(=O)c2ccccc2)cc1,Oc1ccc(OC(=O)c2ccccc2)cc1,"InChI=1/C13H10O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9,14H",C13H10O3,,,,,,JFAXJRJMFOACBO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.711,219-482-0,2444-36-2,o-chlorophenylacetic acid,(2-chlorophenyl)acetic acid,OC(=O)Cc1ccccc1Cl,OC(=O)Cc1ccccc1Cl,"InChI=1/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7ClO2,,,,,,IUJAAIZKRJJZGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.715,219-486-2,2444-68-0,9-vinylanthracene,9-vinylanthracene,C=Cc1c2ccccc2cc3ccccc13,C=Cc1c2ccccc2cc3ccccc13,"InChI=1/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2",C16H12,,,,,,OGOYZCQQQFAGRI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.722,219-494-6,2445-72-9,Pentyl isobutyrate,pentyl 2-methylpropanoate,CCCCCOC(=O)C(C)C,CCCCCOC(=O)C(C)C,"InChI=1/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3",C9H18O2,,,,,,UYGGIIOLYXRSQY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.723,219-495-1,2445-76-3,Hexyl propionate,hexyl propionate,CCCCCCOC(=O)CC,CCCCCCOC(=O)CC,"InChI=1/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3",C9H18O2,,,,,,GOKKOFHHJFGZHW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.727,219-499-3,2445-83-2,7-methylcoumarin,7-methyl-2H-chromen-2-one,Cc1ccc2C=CC(=O)Oc2c1,Cc1ccc2C=CC(=O)Oc2c1,"InChI=1/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3",C10H8O2,,,,,,DLHXRDUXNVEIEY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.730,219-502-8,2446-83-5,Diisopropyl azodicarboxylate,"diisopropyl diazene-1,2-dicarboxylate",CC(C)OC(=O)N=NC(=O)OC(C)C,CC(C)OC(=O)N=NC(=O)OC(C)C,"InChI=1/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3",C8H14N2O4,,,,,,VVWRJUBEIPHGQF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.737,219-510-1,2449-14-1,Diphenyl azodicarboxylate,"diphenyl diazene-1,2-dicarboxylate",O=C(Oc1ccccc1)N=NC(=O)Oc2ccccc2,O=C(Oc1ccccc1)N=NC(=O)Oc2ccccc2,InChI=1/C14H10N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H,C14H10N2O4,,,,,,WDZOPGZTGVJDMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.741,219-514-3,2451-62-9,"1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione",O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4,O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4,"InChI=1/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2",C12H15N3O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1882,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.741,OUPZKGBUJRBPGC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.746,219-520-6,2452-99-5,"1,2-dimethylcyclopentane","1,2-dimethylcyclopentane",CC1CCCC1C,CC1CCCC1C,"InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3",C7H14,,,,,,RIRARCHMRDHZAR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.820,216-301-7,1553-55-5,S-(hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A,9-(5-O-{[3-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropoxy](hydroxy)phosphoryl}-3-O-phosphonopentofuranosyl)-9H-purin-6-amine,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23,"InChI=1/C21H32N6O15P2S/c1-21(33,6-13(29)30)7-14(31)45-5-3-23-12(28)2-4-39-44(37,38)40-8-11-17(42-43(34,35)36)16(32)20(41-11)27-10-26-15-18(22)24-9-25-19(15)27/h9-11,16-17,20,32-33H,2-8H2,1H3,(H,23,28)(H,29,30)(H,37,38)(H2,22,24,25)(H2,34,35,36)",C27H44N7O20P3S,,,,,,SBIRHIGLCMFTNB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.823,216-304-3,1555-56-2,Disodium a-glycerophosphate,"disodium 2,3-dihydroxypropyl phosphate",[Na+].[Na+].OCC(O)COP(=O)([O-])[O-],[Na+].[Na+].OCC(O)COP(=O)([O-])[O-],"InChI=1/C3H9O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",C3H9O6P.2Na,,,,,,GEKBIENFFVFKRG-UHFFFAOYSA-L,,,,,,,,,,,
100.014.826,216-308-5,1555-94-8,8-ethoxyquinoline,8-ethoxyquinoline,CCOc1cccc2cccnc12,CCOc1cccc2cccnc12,"InChI=1/C11H11NO/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h3-8H,2H2,1H3",C11H11NO,,,,,,UGRGZOJMYMJWLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.917,242-826-6,19121-58-5,Solasonine,spirosol-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranoside,C[C@@H]1CC[C@@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O,C[C@@H]1CC[C@@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O,"InChI=1/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3",C45H73NO16,,,,,,QCTMYNGDIBTNSK-XEAAVONHSA-N,,,,,,,,,,,
100.038.919,242-828-7,19125-99-6,"2-butyl-6-(butylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione","2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione",CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23,CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23,"InChI=1/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3",C20H24N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17289,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.919,DXWHZJXKTHGHQF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.921,242-830-8,19135-08-1,1-(2-propynyl)cyclohexan-1-ol,1-prop-2-yn-1-ylcyclohexanol,OC1(CC#C)CCCCC1,OC1(CC#C)CCCCC1,"InChI=1/C9H14O/c1-2-6-9(10)7-4-3-5-8-9/h1,10H,3-8H2",C9H14O,,,,,,CVFVGPVYIWNTJB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.924,242-833-4,19139-31-2,Dihexyl fumarate,dihexyl but-2-enedioate,CCCCCCOC(=O)\\C=C\\C(=O)OCCCCCC,CCCCCCOC(=O)\C=C\C(=O)OCCCCCC,"InChI=1/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3",C16H28O4,,,,,,QMCVOSQFZZCSLN-VAWYXSNFSA-N,,,,,,,,,,,
100.038.929,242-839-7,19147-34-3,Ethyl(2-hydroxyethyl)dimethylammonium chloride,"N-ethyl-2-hydroxy-N,N-dimethylethanaminium chloride",[Cl-].CC[N+](C)(C)CCO,[Cl-].CC[N+](C)(C)CCO,"InChI=1/C6H16NO.ClH/c1-4-7(2,3)5-6-8;/h8H,4-6H2,1-3H3;1H/q+1;/p-1",C6H16NO.Cl,,,,,,SUMAUGSVBCBNBS-UHFFFAOYSA-M,,,,,,,,,,,
100.038.932,242-842-3,19149-85-0,(Z)-octadec-9-enyl laurate,octadec-9-en-1-yl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h15-16H,3-14,17-29H2,1-2H3",C30H58O2,,,,,,UGHVFDVVZRNMHY-NXVVXOECSA-N,,,,,,,,,,,
100.038.936,242-847-0,19153-99-2,Gold(1+) tripotassium disulphite,gold(1+) tripotassium disulphite,[K+].[K+].[K+].[Au+].[O-]S(=O)[O-].[O-]S(=O)[O-],[K+].[K+].[K+].[Au+].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/Au.3K.2H2O3S/c;;;;2*1-4(2)3/h;;;;2*(H2,1,2,3)/q4*+1;;/p-4",Au.2H2O3S.3K,,,,,,KRZKNIQKJHKHPL-UHFFFAOYSA-J,,,,,,,,,,,
100.038.939,242-850-7,19159-68-3,"2,2',4,4',6,6'-hexanitroazobenzene","bis(2,4,6-trinitrophenyl)diazene",[O-][N+](=O)c1cc(c(N=Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(N=Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C12H4N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4H,C12H4N8O12,,,,,,PSDIVOYKWCKHLG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.941,242-852-8,19163-92-9,"Bis[bis(2-hydroxyethyl)dithiocarbamato-S,S']zinc",zinc bis[bis(2-hydroxyethyl)dithiocarbamate],OCCN(CCO)C(=S)S[Zn]SC(=S)N(CCO)CCO,OCCN(CCO)C(=S)S[Zn]SC(=S)N(CCO)CCO,"InChI=1/2C5H11NO2S2.Zn/c2*7-3-1-6(2-4-8)5(9)10;/h2*7-8H,1-4H2,(H,9,10);/q;;+2/p-2/rC10H20N2O4S4Zn/c13-5-1-11(2-6-14)9(17)19-21-20-10(18)12(3-7-15)4-8-16/h13-16H,1-8H2",C10H20N2O4S4Zn,,,,,,BRJVMKALQCUXPN-UHFFFAOYSA-L,,,,,,,,,,,
100.038.951,242-863-8,19184-65-7,"2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol","2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol",OCC(CO)(CO)CBr,OCC(CO)(CO)CBr,"InChI=1/C5H11BrO3/c6-1-5(2-7,3-8)4-9/h7-9H,1-4H2",C5H11BrO3,,,,,,MMHHBAUIJVTLFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.781,223-958-3,4136-97-4,Methyl p-aminosalicylate,methyl 4-amino-2-hydroxybenzoate,COC(=O)c1ccc(N)cc1O,COC(=O)c1ccc(N)cc1O,"InChI=1/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3",C8H9NO3,,,,,,QQOXBFUTRLDXDP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.782,223-959-9,5/11/4137,"p,p',p''-(1-propanyl-3-ylidene)triphenol","4,4',4''-propane-1,1,3-triyltriphenol",Oc1ccc(CCC(c2ccc(O)cc2)c3ccc(O)cc3)cc1,Oc1ccc(CCC(c2ccc(O)cc2)c3ccc(O)cc3)cc1,"InChI=1/C21H20O3/c22-18-8-1-15(2-9-18)3-14-21(16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h1-2,4-13,21-24H,3,14H2",C21H20O3,,,,,,GRAGBWDYQWZYKP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.789,223-967-2,4143-72-0,"1-(1-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione","1-(1-hydroxycyclohexa-2,4-dien-1-yl)-3-(4-methoxyphenyl)propane-1,3-dione",COc1ccc(cc1)C(=O)CC(=O)C2(O)CC=CC=C2,COc1ccc(cc1)C(=O)CC(=O)C2(O)CC=CC=C2,"InChI=1/C16H16O4/c1-20-13-7-5-12(6-8-13)14(17)11-15(18)16(19)9-3-2-4-10-16/h2-9,19H,10-11H2,1H3",C16H14O4,,,,,,KBBVODIRNCBSRC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.500,222-549-7,3528-50-5,1-cyclohexyl-1H-pyrazol-5-amine,1-cyclohexyl-1H-pyrazol-5-amine,Nc1ccnn1C2CCCCC2,Nc1ccnn1C2CCCCC2,"InChI=1/C9H15N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h6-8H,1-5,10H2",C9H15N3,,,,,,PTQWQGFQOJOBJK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.506,222-556-5,2/04/3529,Benzyl(hexadecyl)dimethylammonium bromide,"N-benzyl-N,N-dimethylhexadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C25H46N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1",C25H46N.Br,,,,,,DLNWMWYCSOQYSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.508,222-558-6,7/09/3529,"N,N-dibutylethylenediamine","N,N-dibutylethane-1,2-diamine",CCCCN(CCN)CCCC,CCCCN(CCN)CCCC,"InChI=1/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3",C10H24N2,,,,,,PWNDYKKNXVKQJO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.513,222-563-3,3530-82-3,"5-(phenylmethyl)imidazolidine-2,4-dione","5-benzylimidazolidine-2,4-dione",O=C1NC(Cc2ccccc2)C(=O)N1,O=C1NC(Cc2ccccc2)C(=O)N1,"InChI=1/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)",C10H10N2O2,,,,,,DBOMTIHROGSFTI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.514,222-564-9,3531-19-9,"2-chloro-4,6-dinitroaniline","2-chloro-4,6-dinitroaniline",Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-],Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2",C6H4ClN3O4,,,,,,LHRIICYSGQGXSX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.515,222-565-4,3531-43-9,Tetraisobutyltin,tetraisobutylstannane,CC(C)C[Sn](CC(C)C)(CC(C)C)CC(C)C,CC(C)C[Sn](CC(C)C)(CC(C)C)CC(C)C,"InChI=1/4C4H9.Sn/c4*1-4(2)3;/h4*4H,1H2,2-3H3;/rC16H36Sn/c1-13(2)9-17(10-14(3)4,11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3",C16H36Sn,,,,,,CKPJWJGGZOJURQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.521,222-572-2,3536-29-6,"2,3-diphenylpropanol","2,3-diphenylpropan-1-ol",OCC(Cc1ccccc1)c2ccccc2,OCC(Cc1ccccc1)c2ccccc2,"InChI=1/C15H16O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2",C15H16O,,,,,,IITXBLBBWAPMPY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.528,222-580-6,3539-38-6,2-hydroxypropyl myristate,2-hydroxypropyl myristate,CCCCCCCCCCCCCC(=O)OCC(C)O,CCCCCCCCCCCCCC(=O)OCC(C)O,"InChI=1/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)20-15-16(2)18/h16,18H,3-15H2,1-2H3",C17H34O3,,,,,,VCNPGCHIKPSUSP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.531,222-583-2,3542-36-7,Dichlorodioctylstannane,dichloro(dioctyl)stannane,CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC,CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC,"InChI=1/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2/rC16H34Cl2Sn/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34Cl2Sn,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14165,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.531,SBOSGIJGEHWBKV-UHFFFAOYSA-L,,,,,,,,,,,
100.020.532,222-584-8,3542-44-7,Sodium 3-hydroxypropane-1-sulphonate,sodium 3-hydroxypropane-1-sulfonate,[Na+].OCCCS(=O)(=O)[O-],[Na+].OCCCS(=O)(=O)[O-],"InChI=1/C3H8O4S.Na/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1",C3H8O4S.Na,,,,,,CSKVLUWCGPWCQR-UHFFFAOYSA-M,,,,,,,,,,,
100.020.533,222-585-3,3543-02-0,"Pyridine-3,5-diol","pyridine-3,5-diol",Oc1cncc(O)c1,Oc1cncc(O)c1,"InChI=1/C5H5NO2/c7-4-1-5(8)3-6-2-4/h1-3,7-8H",C5H5NO2,,,,,,DSNXVCDIWGFMOI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.536,222-589-5,3544-35-2,Iproclozide,2-(4-chlorophenoxy)-N'-isopropylacetohydrazide,CC(C)NNC(=O)COc1ccc(Cl)cc1,CC(C)NNC(=O)COc1ccc(Cl)cc1,"InChI=1/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)",C11H15ClN2O2,,,,,,GGECDTUJZOXAAR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.545,222-598-4,3547-33-9,2-(octylthio)ethanol,2-(octylsulfanyl)ethanol,CCCCCCCCSCCO,CCCCCCCCSCCO,"InChI=1/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3",C10H22OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12740,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.545,KXPXKNBDCUOENF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.809,222-889-6,3650-65-5,D-glucose cyclic ethylene dithioacetal,"1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol (non-preferred name)",OCC(O)C(O)C(O)C(O)C1SCCS1,OCC(O)C(O)C(O)C(O)C1SCCS1,"InChI=1/C8H16O5S2/c9-3-4(10)5(11)6(12)7(13)8-14-1-2-15-8/h4-13H,1-3H2",C8H16O5S2,,,,,,LOVIILREBFKRIA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.810,222-890-1,3650-93-9,Cytosine-5-carboxylic acid,"4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid",NC1=NC(=O)NC=C1C(=O)O,NC1=NC(=O)NC=C1C(=O)O,"InChI=1/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)",C5H5N3O3,,,,,,BLQMCTXZEMGOJM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.818,222-899-0,3655-00-3,Disodium N-(2-carboxyethyl)-N-dodecyl-ß-alaninate,disodium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate,[Na+].[Na+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],"InChI=1/2C18H35NO4.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;;/h2*2-16H2,1H3,(H,20,21)(H,22,23);;/q;;2*+1/p-2",C18H35NO4.2Na,,,,,,CWRSSRYYUVBLEH-UHFFFAOYSA-L,,,,,,,,,,,
100.020.829,222-911-4,3658-93-3,"1,1-diethoxyhexane","1,1-diethoxyhexane",CCCCCC(OCC)OCC,CCCCCC(OCC)OCC,"InChI=1/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3",C10H22O2,,,,,,WNHOMUCDFNTSEV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.831,222-914-0,1/09/3660,"1,4-diaminobutan-2-one dihydrochloride","1,4-diaminobutan-2-one dihydrochloride",Cl.Cl.NCCC(=O)CN,Cl.Cl.NCCC(=O)CN,"InChI=1/C4H10N2O.2ClH/c5-2-1-4(7)3-6;;/h1-3,5-6H2;2*1H",C4H10N2O.2ClH,,,,,,HDRKYQXFDHZZOW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.846,216-330-5,1560-28-7,Chloropentamethyldisilane,"1-chloro-1,1,2,2,2-pentamethyldisilane",C[Si](C)(C)[Si](C)(C)Cl,C[Si](C)(C)[Si](C)(C)Cl,"InChI=1/C5H15ClSi2/c1-7(2,3)8(4,5)6/h1-5H3",C5H15ClSi2,,,,,,GJCAUTWJWBFMFU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.851,216-335-2,1561-10-0,Ethyl 4-methylhexanoate,ethyl 4-methylhexanoate,CCOC(=O)CCC(C)CC,CCOC(=O)CCC(C)CC,"InChI=1/C9H18O2/c1-4-8(3)6-7-9(10)11-5-2/h8H,4-7H2,1-3H3",C9H18O2,,,,,,XLBBXJVJKKWJTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.852,216-336-8,1561-11-1,4-methylhexanoic acid,4-methylhexanoic acid,CCC(C)CCC(=O)O,CCC(C)CCC(=O)O,"InChI=1/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",C7H14O2,,,,,,DIVCBWJKVSFZKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.855,216-339-4,1561-86-0,2-chlorocyclohexanol,2-chlorocyclohexanol,OC1CCCCC1Cl,OC1CCCCC1Cl,"InChI=1/C6H11ClO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2",C6H11ClO,,,,,,NYEWDMNOXFGGDX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.856,216-341-5,1561-92-8,Sodium 2-methylprop-2-ene-1-sulphonate,sodium 2-methylprop-2-ene-1-sulfonate,[Na+].CC(=C)CS(=O)(=O)[O-],[Na+].CC(=C)CS(=O)(=O)[O-],"InChI=1/C4H8O3S.Na/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);/q;+1/p-1",C4H8O3S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5702,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.856,SZHIIIPPJJXYRY-UHFFFAOYSA-M,,,,,,,,,,,
100.014.858,216-343-6,1562-00-1,Sodium 2-hydroxyethanesulphonate,sodium 2-hydroxyethanesulfonate,[Na+].OCCS(=O)(=O)[O-],[Na+].OCCS(=O)(=O)[O-],"InChI=1/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1",C2H6O4S.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13420,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.858,LADXKQRVAFSPTR-UHFFFAOYSA-M,,,,,,,,,,,
100.014.864,216-349-9,1562-95-4,Bis(2-pyridyl) ketone oxime,dipyridin-2-ylmethanone oxime,ON=C(c1ccccn1)c2ccccn2,ON=C(c1ccccn1)c2ccccn2,"InChI=1/C11H9N3O/c15-14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8,15H",C11H9N3O,,,,,,KLOQKBNABUIDIU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.866,216-352-5,1563-56-0,2-amino-5-bromobenzoylpyridine,(2-amino-5-bromophenyl)(pyridin-2-yl)methanone,Nc1ccc(Br)cc1C(=O)c2ccccn2,Nc1ccc(Br)cc1C(=O)c2ccccn2,"InChI=1/C12H9BrN2O/c13-8-4-5-10(14)9(7-8)12(16)11-3-1-2-6-15-11/h1-7H,14H2",C12H9BrN2O,,,,,,KHVZPFKJBLTYCC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.126,216-637-4,1632-68-4,Bicyclo[2.2.1]heptan-2-ol,bicyclo[2.2.1]heptan-2-ol,OC1CC2CCC1C2,OC1CC2CCC1C2,"InChI=1/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2",C7H12O,,,,,,ZQTYQMYDIHMKQB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.127,216-639-5,1632-73-1,"3,3-dimethyl-8,9-dinorbornan-2-ol","1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol",CC12CCC(C1)C(C)(C)C2O,CC12CCC(C1)C(C)(C)C2O,"InChI=1/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,IAIHUHQCLTYTSF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.132,216-644-2,1633-22-3,"Tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene","tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene",C1Cc2ccc(CCc3ccc1cc3)cc2,C1Cc2ccc(CCc3ccc1cc3)cc2,"InChI=1/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2",C16H16,,,,,,OOLUVSIJOMLOCB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.966,242-880-0,19208-69-6,Dibenzyl (1-methyl-4-oxoimidazolidin-2-ylidene)phosphoramidate,dibenzyl (1-methyl-4-oxoimidazolidin-2-ylidene)amidophosphate,CN3CC(=O)NC3=NP(=O)(OCc1ccccc1)OCc2ccccc2,CN3CC(=O)NC3=NP(=O)(OCc1ccccc1)OCc2ccccc2,"InChI=1/C18H20N3O4P/c1-21-12-17(22)19-18(21)20-26(23,24-13-15-8-4-2-5-9-15)25-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,19,20,22,23)",C18H20N3O4P,,,,,,FFEFFWWQHCAWCF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.747,219-521-1,2453-00-1,"1,3-dimethylcyclopentane","1,3-dimethylcyclopentane",CC1CCC(C)C1,CC1CCC(C)C1,"InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3",C7H14,,,,,,XAZKFISIRYLAEE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.254,221-178-8,3025-30-7,"Ethyl (2E,4Z)-2,4-decadienoate","ethyl deca-2,4-dienoate",CCCCC\\C=C/C=C/C(=O)OCC,CCCCC\C=C/C=C/C(=O)OCC,"InChI=1/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3",C12H20O2,,,,,,OPCRGEVPIBLWAY-QNRZBPGKSA-N,,,,,,,,,,,
100.015.461,217-007-1,1719-58-0,Chlorodimethylvinylsilane,chloro(dimethyl)vinylsilane,C[Si](C)(Cl)C=C,C[Si](C)(Cl)C=C,"InChI=1/C4H9ClSi/c1-4-6(2,3)5/h4H,1H2,2-3H3",C4H9ClSi,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16026,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.461,XSDCTSITJJJDPY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.462,217-008-7,1719-71-7,"2,5-diphenyl-3(1-naphthyl)-2H-tetrazolium chloride","3-(1-naphthyl)-2,5-diphenyl-2H-tetrazol-3-ium",c1ccc(cc1)c2n[n+](c3cccc4ccccc34)n(n2)c5ccccc5,c1ccc(cc1)c2n[n+](c3cccc4ccccc34)n(n2)c5ccccc5,InChI=1/C23H17N4/c1-3-11-19(12-4-1)23-24-26(20-14-5-2-6-15-20)27(25-23)22-17-9-13-18-10-7-8-16-21(18)22/h1-17H/q+1,C23H17N4.Cl,,,,,,YOJRTDXCZANBTO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.470,217-017-6,1721-93-3,1-methylisoquinoline,1-methylisoquinoline,Cc1nccc2ccccc12,Cc1nccc2ccccc12,"InChI=1/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3",C10H9N,,,,,,PBYMYAJONQZORL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.474,217-021-8,1722-19-6,"4,6-dichloro-N,N-diethyl-1,3,5-triazin-2-amine","4,6-dichloro-N,N-diethyl-1,3,5-triazin-2-amine",CCN(CC)c1nc(Cl)nc(Cl)n1,CCN(CC)c1nc(Cl)nc(Cl)n1,"InChI=1/C7H10Cl2N4/c1-3-13(4-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3",C7H10Cl2N4,,,,,,HYWCPNMPNFJCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.480,217-028-6,1724-14-7,2-deoxy-erythro-pentose,2-deoxy-D-erythro-pentose,OC[C@@H](O)[C@@H](O)CC=O,OC[C@@H](O)[C@@H](O)CC=O,"InChI=1/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2",C5H10O4,,,,,,ASJSAQIRZKANQN-CRCLSJGQSA-N,,,,,,,,,,,
100.015.484,217-032-8,1724-48-7,Dipropyl glutarate,dipropyl glutarate,CCCOC(=O)CCCC(=O)OCCC,CCCOC(=O)CCCC(=O)OCCC,"InChI=1/C11H20O4/c1-3-8-14-10(12)6-5-7-11(13)15-9-4-2/h3-9H2,1-2H3",C11H20O4,,,,,,IXAVSISAEGUDSL-UHFFFAOYSA-N,,,,,,,,,,,
100.015.485,217-033-3,1725-01-5,"1,8-dioxacycloheptadecan-9-one","1,8-dioxacycloheptadecan-9-one",O=C1CCCCCCCCOCCCCCCO1,O=C1CCCCCCCCOCCCCCCO1,InChI=1/C15H28O3/c16-15-11-7-3-1-2-4-8-12-17-13-9-5-6-10-14-18-15/h1-14H2,C15H28O3,,,,,,MZLRFHKWWCSGHB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.492,217-041-7,1727-68-0,"2,2,3-trimethylcyclopent-3-ene-1-ethyl acetate","2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl acetate",CC(=O)OCCC1CC=C(C)C1(C)C,CC(=O)OCCC1CC=C(C)C1(C)C,"InChI=1/C12H20O2/c1-9-5-6-11(12(9,3)4)7-8-14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,,,,,,HBRWKAJTMKFEQR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.493,217-042-2,1727-76-0,"2,3,3-trimethylcyclopent-1-enylacetonitrile","(2,3,3-trimethylcyclopent-1-en-1-yl)acetonitrile",CC1=C(CC#N)CCC1(C)C,CC1=C(CC#N)CCC1(C)C,"InChI=1/C10H15N/c1-8-9(5-7-11)4-6-10(8,2)3/h4-6H2,1-3H3",C10H15N,,,,,,PBAKTNCSUCNJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.015.495,217-044-3,1729-67-5,"Methyl 2,3-dibromopropionate","methyl 2,3-dibromopropanoate",COC(=O)C(Br)CBr,COC(=O)C(Br)CBr,"InChI=1/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3",C4H6Br2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18675,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.495,ROXQOUUAPQUMLN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.625,217-187-1,1767-12-0,4'-(imidazol-2-ylazo)acetanilide,N-[4-(1H-imidazol-2-yldiazenyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)N=Nc2nccn2,CC(=O)Nc1ccc(cc1)N=Nc2nccn2,"InChI=1/C11H11N5O/c1-8(17)14-9-2-4-10(5-3-9)15-16-11-12-6-7-13-11/h2-7H,1H3,(H,12,13)(H,14,17)",C11H11N5O,,,,,,KWWZMTLDAQHYAR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.626,217-188-7,1768-31-6,Pentachloroacetone,"1,1,1,3,3-pentachloroacetone",ClC(Cl)C(=O)C(Cl)(Cl)Cl,ClC(Cl)C(=O)C(Cl)(Cl)Cl,"InChI=1/C3HCl5O/c4-2(5)1(9)3(6,7)8/h2H",C3HCl5O,,,,,,RVSIFWBAGVMQKT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.630,217-192-9,1770-80-5,"Dibutyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","dibutyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",CCCCOC(=O)C1C(C(=O)OCCCC)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,CCCCOC(=O)C1C(C(=O)OCCCC)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1/C17H20Cl6O4/c1-3-5-7-26-13(24)9-10(14(25)27-8-6-4-2)16(21)12(19)11(18)15(9,20)17(16,22)23/h9-10H,3-8H2,1-2H3",C17H20Cl6O4,,,,,,UJAHPBDUQZFDLA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.634,217-197-6,1772-02-7,Sodium p-[[4-[3-(2-arsono-4-nitrophenyl)triazen-1-yl]phenyl]azo]benzenesulphonate,sodium 4-({4-[3-(2-arsono-4-nitrophenyl)triaz-1-en-1-yl]phenyl}diazenyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3ccc(N=NNc2ccc(cc2[As](O)(O)=O)[N+]([O-])=O)cc3,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3ccc(N=NNc2ccc(cc2[As](O)(O)=O)[N+]([O-])=O)cc3,"InChI=1/C18H15AsN6O8S.Na/c26-19(27,28)17-11-15(25(29)30)7-10-18(17)23-24-22-14-3-1-12(2-4-14)20-21-13-5-8-16(9-6-13)34(31,32)33;/h1-11H,(H,22,23)(H2,26,27,28)(H,31,32,33);/q;+1/p-1",C18H15AsN6O8S.Na,,,,,,VMTPWQCIVCBDNY-UHFFFAOYSA-M,,,,,,,,,,,
100.044.506,248-973-2,28334-98-7,5-ethoxyresorcinol,"5-ethoxybenzene-1,3-diol",CCOc1cc(O)cc(O)c1,CCOc1cc(O)cc(O)c1,"InChI=1/C8H10O3/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,9-10H,2H2,1H3",C8H10O3,,,,,,NCKTXJDJNMSYDR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.954,242-866-4,19193-50-1,Dilithium hexafluorotitanate(2-),dilithium hexafluorotitanate(2-),[Li+].[Li+].F[Ti-2](F)(F)(F)(F)F,[Li+].[Li+].F[Ti-2](F)(F)(F)(F)F,"InChI=1/6FH.2Li.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rF6Ti.2Li/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Ti.2Li,,,,,,AHARGQJTTQNBPT-UHFFFAOYSA-H,,,,,,,,,,,
100.038.962,242-875-3,19201-38-8,Ethyl 3-(3-isocyanatophenyl)acrylate,ethyl 3-(3-isocyanatophenyl)acrylate,CCOC(=O)\\C=C\\c1cccc(c1)N=C=O,CCOC(=O)\C=C\c1cccc(c1)N=C=O,"InChI=1/C12H11NO3/c1-2-16-12(15)7-6-10-4-3-5-11(8-10)13-9-14/h3-8H,2H2,1H3",C12H11NO3,,,,,,VUFWMWBNRFMIHW-VOTSOKGWSA-N,,,,,,,,,,,
100.038.964,242-877-4,19202-36-9,"6-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone","6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",Oc1ccc(cc1)C2=CC(=O)c3c(O)c(Oc4ccc(cc4)C5=CC(=O)c6c(O)cc(O)cc6O5)c(O)cc3O2,Oc1ccc(cc1)C2=CC(=O)c3c(O)c(Oc4ccc(cc4)C5=CC(=O)c6c(O)cc(O)cc6O5)c(O)cc3O2,"InChI=1/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H",C30H18O10,,,,,,WTDHMFBJQJSTMH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.928,247-236-2,25747-07-3,"3-[(1,5-dihydroxy-2-naphthyl)azo]-4-hydroxybenzenesulphonic acid","3-[(1,5-dihydroxy-2-naphthyl)diazenyl]-4-hydroxybenzenesulfonic acid",Oc3ccc(cc3N=Nc2ccc1c(O)cccc1c2O)S(O)(=O)=O,Oc3ccc(cc3N=Nc2ccc1c(O)cccc1c2O)S(O)(=O)=O,"InChI=1/C16H12N2O6S/c19-14-3-1-2-11-10(14)5-6-12(16(11)21)17-18-13-8-9(25(22,23)24)4-7-15(13)20/h1-8,19-21H,(H,22,23,24)",C16H12N2O6S,,,,,,HETKNRGJVSOOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.945,247-255-6,25772-51-4,N-(2-chloroethyl)-N-(2-chloropropyl)-p-toluenesulphonamide,N-(2-chloroethyl)-N-(2-chloropropyl)-4-methylbenzenesulfonamide,CC(Cl)CN(CCCl)S(=O)(=O)c1ccc(C)cc1,CC(Cl)CN(CCCl)S(=O)(=O)c1ccc(C)cc1,"InChI=1/C12H17Cl2NO2S/c1-10-3-5-12(6-4-10)18(16,17)15(8-7-13)9-11(2)14/h3-6,11H,7-9H2,1-2H3",C12H17Cl2NO2S,,,,,,IGWHAZNTDXTQNM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.946,247-256-1,25773-40-4,2-isopropyl-3-methoxypyrazine,2-isopropyl-3-methoxypyrazine,COc1nccnc1C(C)C,COc1nccnc1C(C)C,"InChI=1/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3",C8H12N2O,,,,,,NTOPKICPEQUPPH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.950,247-260-3,25779-93-5,(2-hydroxyethyl) hydrogen fumarate,4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid,OCCOC(=O)\\C=C\\C(=O)O,OCCOC(=O)\C=C\C(=O)O,"InChI=1/C6H8O5/c7-3-4-11-6(10)2-1-5(8)9/h1-2,7H,3-4H2,(H,8,9)",C6H8O5,,,,,,MAIIXYUYRNFKPL-OWOJBTEDSA-N,,,,,,,,,,,
100.042.951,247-261-9,25781-92-4,5-chloro-2-nitrodiphenylamine,5-chloro-2-nitro-N-phenylaniline,Clc1ccc(c(Nc2ccccc2)c1)N(=O)=O,Clc1ccc(c(Nc2ccccc2)c1)N(=O)=O,"InChI=1/C12H9ClN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H",C12H9ClN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17962,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.951,FPKHZBVGKMTUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.953,247-264-5,25790-28-7,"Methyl 3-oxo-7-(m-tolyl)-2,4,10-trioxa-7-azaundecan-11-oate","dimethyl [(3-methylphenyl)imino]diethane-2,1-diyl biscarbonate",COC(=O)OCCN(CCOC(=O)OC)c1cccc(C)c1,COC(=O)OCCN(CCOC(=O)OC)c1cccc(C)c1,"InChI=1/C15H21NO6/c1-12-5-4-6-13(11-12)16(7-9-21-14(17)19-2)8-10-22-15(18)20-3/h4-6,11H,7-10H2,1-3H3",C15H21NO6,,,,,,AIKNSKGNNYHMPF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.959,247-270-8,25800-63-9,"Tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid",abietan-18-oic acid,CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(=O)O)C1,CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(=O)O)C1,"InChI=1/C20H34O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h13-17H,5-12H2,1-4H3,(H,21,22)",C20H34O2,,,,,,YPGLTKHJEQHKSS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.963,247-275-5,25807-71-0,Zinc 2-butyloctyl phosphate,zinc 2-butyloctyl phosphate,[Zn+2].CCCCCCC(CCCC)COP(=O)([O-])[O-],[Zn+2].CCCCCCC(CCCC)COP(=O)([O-])[O-],"InChI=1/C12H27O4P.Zn/c1-3-5-7-8-10-12(9-6-4-2)11-16-17(13,14)15;/h12H,3-11H2,1-2H3,(H2,13,14,15);/q;+2/p-2",C12H27O4P.Zn,,,,,,CYNFVQATCBZAKL-UHFFFAOYSA-L,,,,,,,,,,,
100.042.965,247-277-6,25808-30-4,Cyanomethyl(methyl)ammonium chloride,N-cyano-N-methylmethanaminium chloride,[Cl-].C[NH+](C)C#N,[Cl-].C[NH+](C)C#N,InChI=1/C3H6N2.ClH/c1-5(2)3-4;/h1-2H3;1H,C3H6N2.ClH,,,,,,OLKBZYVTCMFOTH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.968,247-280-2,25812-30-0,Gemfibrozil,"5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid",Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,"InChI=1/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",C15H22O3,,,,,,HEMJJKBWTPKOJG-UHFFFAOYSA-N,Positive/Negative,EQ307101|EQ307102|EQ307103|EQ307104|EQ307105|EQ307106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,129.091:83.0855:123.0804|129.091:83.0855:123.0804|83.0855:129.091:123.0804|83.0855:55.0543:73.0648|55.0543:83.0855:73.0648|55.0543:59.0492:73.0648,Eawag,EQ307151|EQ307152|EQ307153|EQ307154|EQ307155|EQ307156;UF407753|UF407754,[M-H]-;[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;CID35|CID55,121.0659:127.0764:249.1496|121.0659:127.0764|121.0659:127.0764|121.0659:120.0584:106.0424|121.0659:106.0425:120.0583|121.0659:106.0424:120.0583;121.0658|121.0659,Eawag;UFZ
100.042.969,247-281-8,25814-36-2,Diethyl (4-amino-3-chlorophenyl)methylmalonate,diethyl (4-amino-3-chlorophenyl)(methyl)malonate,CCOC(=O)C(C)(C(=O)OCC)c1ccc(N)c(Cl)c1,CCOC(=O)C(C)(C(=O)OCC)c1ccc(N)c(Cl)c1,"InChI=1/C14H18ClNO4/c1-4-19-12(17)14(3,13(18)20-5-2)9-6-7-11(16)10(15)8-9/h6-8H,4-5,16H2,1-3H3",C14H18ClNO4,,,,,,NSBHZWDHFJHECC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.786,222-863-4,8/04/3638,"2,4-dichloro-6-methoxy-1,3,5-triazine","2,4-dichloro-6-methoxy-1,3,5-triazine",COc1nc(Cl)nc(Cl)n1,COc1nc(Cl)nc(Cl)n1,InChI=1/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,C4H3Cl2N3O,,,,,,JKAPWXKZLYJQJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.787,222-865-5,3638-73-1,"2,5-dibromoaniline","2,5-dibromoaniline",Nc1cc(Br)ccc1Br,Nc1cc(Br)ccc1Br,"InChI=1/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2",C6H5Br2N,,,,,,WRTAZRGRFBCKBU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.546,222-600-3,3547-38-4,"Disodium 3-[(o-arsonophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonate","disodium 3-[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].O[As](O)(=O)c3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].O[As](O)(=O)c3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H13AsN2O11S2.2Na/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24;;/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C16H13AsN2O11S2.2Na,,,,,,XRURKGOGGBIGRV-UHFFFAOYSA-L,,,,,,,,,,,
100.018.542,220-396-0,2752-19-4,"Tris[[1,1'-biphenyl]-2-oxy]phosphine",tribiphenyl-2-yl phosphite,O(P(Oc1ccccc1c2ccccc2)Oc3ccccc3c4ccccc4)c5ccccc5c6ccccc6,O(P(Oc1ccccc1c2ccccc2)Oc3ccccc3c4ccccc4)c5ccccc5c6ccccc6,InChI=1/C36H27O3P/c1-4-16-28(17-5-1)31-22-10-13-25-34(31)37-40(38-35-26-14-11-23-32(35)29-18-6-2-7-19-29)39-36-27-15-12-24-33(36)30-20-8-3-9-21-30/h1-27H,C36H27O3P,,,,,,DAZUWKNHFLGZSN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.543,220-397-6,2752-64-9,"Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,3a,6a,14a,15a,16ß)-","8-acetoxy-3,13,16-trihydroxy-1,6,15-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate",COCC12CN(C)C3C4C(OC)C1C3(C(CC2O)OC)C5CC6(O)C(O)C(OC)C4(OC(=O)C)C5C6OC(=O)c7ccccc7,COCC12CN(C)C3C4C(OC)C1C3(C(CC2O)OC)C5CC6(O)C(O)C(OC)C4(OC(=O)C)C5C6OC(=O)c7ccccc7,"InChI=1/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,26(37)28(33)43-6)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3",C33H45NO11,,,,,,FGEQLIZIOKTHQM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.559,220-414-7,2757-18-8,Dithallium malonate,dithallium(1+) malonate,[Tl+].[Tl+].[O-]C(=O)CC(=O)[O-],[Tl+].[Tl+].[O-]C(=O)CC(=O)[O-],"InChI=1/C3H4O4.2Tl/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2",C3H4O4.2Tl,,,,,,UFVDXEXHBVQKGB-UHFFFAOYSA-L,,,,,,,,,,,
100.018.569,220-425-7,2760-98-7,Isophthalohydrazide,isophthalohydrazide,NNC(=O)c1cccc(c1)C(=O)NN,NNC(=O)c1cccc(c1)C(=O)NN,"InChI=1/C8H10N4O2/c9-11-7(13)5-2-1-3-6(4-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)",C8H10N4O2,,,,,,UTTHLMXOSUFZCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.570,220-426-2,3/09/2761,3-hydroxypropyl methacrylate,3-hydroxypropyl methacrylate,CC(=C)C(=O)OCCCO,CC(=C)C(=O)OCCCO,"InChI=1/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3",C7H12O3,,,,,,GNSFRPWPOGYVLO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.576,220-433-0,2764-72-9,"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediylium","6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium",C1C[NH+]2C=CC=CC2=C3C=CC=C[NH+]13,C1C[NH+]2C=CC=CC2=C3C=CC=C[NH+]13,"InChI=1/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/p+2",C12H12N2,,,,,,ODWHOGPXACKTCJ-UHFFFAOYSA-P,,,,,,,,,,,
100.021.969,224-165-5,8/03/4221,5-hydroxyvaleraldehyde,5-hydroxypentanal,OCCCCC=O,OCCCCC=O,"InChI=1/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2",C5H10O2,,,,,,CNRGMQRNYAIBTN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.970,224-166-0,4221-80-1,"2,4-di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate","2,4-di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate",CC(C)(C)c1ccc(OC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C,CC(C)(C)c1ccc(OC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C,"InChI=1/C29H42O3/c1-26(2,3)19-13-14-23(20(17-19)27(4,5)6)32-25(31)18-15-21(28(7,8)9)24(30)22(16-18)29(10,11)12/h13-17,30H,1-12H3",C29H42O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16532,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.970,KJYSXRBJOSZLEL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.972,224-168-1,4221-99-2,(S)-butan-2-ol,butan-2-ol,CC[C@H](C)O,CC[C@H](C)O,"InChI=1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3",C4H10O,,,,,,BTANRVKWQNVYAZ-BYPYZUCNSA-N,,,,,,,,,,,
100.021.974,224-170-2,4223-09-0,Sulphonyl diisocyanate,sulfuryl diisocyanate,O=C=NS(=O)(=O)N=C=O,O=C=NS(=O)(=O)N=C=O,"InChI=1/C2N2O4S/c5-1-3-9(7,8)4-2-6",C2N2O4S,,,,,,BUXTXUBQAKIQKS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.975,224-171-8,3/10/4223,"1,2-epoxy-2-(epoxyethyl)cyclohexane",1-oxiran-2-yl-7-oxabicyclo[4.1.0]heptane,C1CCC2(OC2C1)C3CO3,C1CCC2(OC2C1)C3CO3,"InChI=1/C8H12O2/c1-2-4-8(7-5-9-7)6(3-1)10-8/h6-7H,1-5H2",C8H12O2,,,,,,MJNRFYZBHDTOEX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.976,224-172-3,4/11/4223,Butyl 2-vinyloxyethyl ether,1-[2-(vinyloxy)ethoxy]butane,CCCCOCCOC=C,CCCCOCCOC=C,"InChI=1/C8H16O2/c1-3-5-6-10-8-7-9-4-2/h4H,2-3,5-8H2,1H3",C8H16O2,,,,,,UNMYKPSSIFZORM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.980,224-177-0,4226-57-7,"2,2-diphenylbutyric acid","2,2-diphenylbutanoic acid",CCC(C(=O)O)(c1ccccc1)c2ccccc2,CCC(C(=O)O)(c1ccccc1)c2ccccc2,"InChI=1/C16H16O2/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)",C16H16O2,,,,,,ZFTRKIIOOVMXCS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.982,224-179-1,4229-34-9,Zirconium(4+) acetate,zirconium(4+) tetraacetate,[Zr+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Zr+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/4C2H4O2.Zr/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4",C2H4O2.1/4Zr,,,,,,MFFVROSEPLMJAP-UHFFFAOYSA-J,,,,,,,,,,,
100.038.967,242-881-6,19210-12-9,"[1S-[1a,4aa,5a,7a(E),7aa]]-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-7-[(allyl-1-oxo-3-phenyl)oxy]cyclopenta[c]pyran-1-yl-ß-D-glucopyranoside","1-(hexopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl 3-phenylacrylate",CC1(CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12)OC(=O)C=Cc4ccccc4,CC1(CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12)OC(=O)C=Cc4ccccc4,"InChI=1/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3",C24H30O11,,,,,,KVRQGMOSZKPBNS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.969,242-883-7,19213-72-0,Ethyl 1H-imidazole-1-carboxylate,ethyl 1H-imidazole-1-carboxylate,CCOC(=O)n1ccnc1,CCOC(=O)n1ccnc1,"InChI=1/C6H8N2O2/c1-2-10-6(9)8-4-3-7-5-8/h3-5H,2H2,1H3",C6H8N2O2,,,,,,YICRPEGTQDSFEX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.990,242-906-0,19241-16-8,"2,6-xylyl isothiocyanate","2-isothiocyanato-1,3-dimethylbenzene",Cc1cccc(C)c1N=C=S,Cc1cccc(C)c1N=C=S,"InChI=1/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3",C9H9NS,,,,,,UULUECCNPPJFBU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.993,242-909-7,19244-98-5,Guanidine monohydrobromide,guanidine hydrobromide,Br.NC(=N)N,Br.NC(=N)N,"InChI=1/CH5N3.BrH/c2-1(3)4;/h(H5,2,3,4);1H",CH5N3.BrH,,,,,,VQNVZLDDLJBKNS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.976,247-289-1,25832-67-1,Sodium 2-hydroxy-p-anisate,sodium 2-hydroxy-4-methoxybenzoate,[Na+].COc1ccc(C(=O)[O-])c(O)c1,[Na+].COc1ccc(C(=O)[O-])c(O)c1,"InChI=1/C8H8O4.Na/c1-12-5-2-3-6(8(10)11)7(9)4-5;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1",C8H8O4.Na,,,,,,IMQSNSCNADEFIR-UHFFFAOYSA-M,,,,,,,,,,,
100.042.977,247-290-7,25832-71-7,Sodium 5-methoxysalicylate,sodium 2-hydroxy-5-methoxybenzoate,[Na+].COc1ccc(O)c(c1)C(=O)[O-],[Na+].COc1ccc(O)c(c1)C(=O)[O-],"InChI=1/C8H8O4.Na/c1-12-5-2-3-7(9)6(4-5)8(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1",C8H8O4.Na,,,,,,XBYKLNAHPCSCOD-UHFFFAOYSA-M,,,,,,,,,,,
100.042.982,247-295-4,25852-70-4,"Triisooctyl 2,2',2''-[(butylstannylidyne)tris(thio)]triacetate","6-methylheptyl 4-butyl-14-methyl-4-({2-[(6-methylheptyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate",CCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,CCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,"InChI=1/3C10H20O2S.C4H9.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC34H66O6S3Sn/c1-8-9-25-44(41-26-32(35)38-22-16-10-13-19-29(2)3,42-27-33(36)39-23-17-11-14-20-30(4)5)43-28-34(37)40-24-18-12-15-21-31(6)7/h29-31H,8-28H2,1-7H3",C34H66O6S3Sn,,,,,,BEFRKDFWQCSRJO-UHFFFAOYSA-K,,,,,,,,,,,
100.042.985,247-299-6,25854-16-4,Bis(isocyanatomethyl)benzene,"1,2-bis(isocyanatomethyl)benzene",O=C=NCc1ccccc1CN=C=O,O=C=NCc1ccccc1CN=C=O,"InChI=1/C10H8N2O2/c13-7-11-5-9-3-1-2-4-10(9)6-12-8-14/h1-4H,5-6H2",C10H8N2O2,,,,,,FKTHNVSLHLHISI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.626,249-105-5,28611-73-6,(2-hydroxy-5-nitrobenzyl)dimethylsulphonium bromide,(2-hydroxy-5-nitrobenzyl)(dimethyl)sulfonium bromide,[Br-].C[S+](C)Cc1cc(ccc1O)[N+](=O)[O-],[Br-].C[S+](C)Cc1cc(ccc1O)[N+](=O)[O-],"InChI=1/C9H11NO3S.BrH/c1-14(2)6-7-5-8(10(12)13)3-4-9(7)11;/h3-5H,6H2,1-2H3;1H",C9H12NO3S.Br,,,,,,VEGVMTIJKACZGO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.632,249-111-8,28631-44-9,"O,O-diisodecyl hydrogen dithiophosphate","O,O-bis(8-methylnonyl) hydrogen dithiophosphate",CC(C)CCCCCCCOP(=S)(S)OCCCCCCCC(C)C,CC(C)CCCCCCCOP(=S)(S)OCCCCCCCC(C)C,"InChI=1/C20H43O2PS2/c1-19(2)15-11-7-5-9-13-17-21-23(24,25)22-18-14-10-6-8-12-16-20(3)4/h19-20H,5-18H2,1-4H3,(H,24,25)",C20H43O2PS2,,,,,,KURZBXWWTUWWGB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.639,249-119-1,28634-38-0,"1,4,5,8-tetrakis(cyclohexylamino)anthraquinone","1,4,5,8-tetrakis(cyclohexylamino)-9,10-anthraquinone",O=C1c2c(NC3CCCCC3)ccc(NC4CCCCC4)c2C(=O)c5c(NC6CCCCC6)ccc(NC7CCCCC7)c15,O=C1c2c(NC3CCCCC3)ccc(NC4CCCCC4)c2C(=O)c5c(NC6CCCCC6)ccc(NC7CCCCC7)c15,"InChI=1/C38H52N4O2/c43-37-33-29(39-25-13-5-1-6-14-25)21-22-30(40-26-15-7-2-8-16-26)34(33)38(44)36-32(42-28-19-11-4-12-20-28)24-23-31(35(36)37)41-27-17-9-3-10-18-27/h21-28,39-42H,1-20H2",C38H52N4O2,,,,,,DHYWINPMPQWEJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.642,249-122-8,28652-10-0,Didecylphenol,"2,3-didecylphenol",CCCCCCCCCCc1cccc(O)c1CCCCCCCCCC,CCCCCCCCCCc1cccc(O)c1CCCCCCCCCC,"InChI=1/C26H46O/c1-3-5-7-9-11-13-15-17-20-24-21-19-23-26(27)25(24)22-18-16-14-12-10-8-6-4-2/h19,21,23,27H,3-18,20,22H2,1-2H3",C26H46O,,,,,,LMWSYYYSTNEUFR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.646,249-127-5,28655-62-1,(allyloxy)benzyl alcohol,[2-(allyloxy)phenyl]methanol,OCc1ccccc1OCC=C,OCc1ccccc1OCC=C,"InChI=1/C10H12O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,11H,1,7-8H2",C10H12O2,,,,,,YMNIXHJCEMKHML-UHFFFAOYSA-N,,,,,,,,,,,
100.020.839,222-922-4,3663-96-5,"2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl hydrogen maleate","4-[2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-4-oxobut-2-enoic acid",OC(=O)\\C=C/C(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,OC(=O)\C=C/C(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C21H19ClN2O6S/c22-16-3-1-15(2-4-16)19-11-12-24(23-19)17-5-7-18(8-6-17)31(28,29)14-13-30-21(27)10-9-20(25)26/h1-10H,11-14H2,(H,25,26)",C21H19ClN2O6S,,,,,,CVCDYYJPSNZSDD-KTKRTIGZSA-N,,,,,,,,,,,
100.044.508,248-975-3,28336-57-4,"1,3,5-triphenylcyclohexane","1,1',1''-cyclohexane-1,3,5-triyltribenzene",C1C(CC(CC1c2ccccc2)c3ccccc3)c4ccccc4,C1C(CC(CC1c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2",C24H24,,,,,,YVPJVAWPIRGOJN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.510,248-977-4,28341-66-4,"4,4'-thiobis[2-methylresorcinol]","4,4'-sulfanediylbis(2-methylbenzene-1,3-diol)",Cc1c(O)ccc(Sc2ccc(O)c(C)c2O)c1O,Cc1c(O)ccc(Sc2ccc(O)c(C)c2O)c1O,"InChI=1/C14H14O4S/c1-7-9(15)3-5-11(13(7)17)19-12-6-4-10(16)8(2)14(12)18/h3-6,15-18H,1-2H3",C14H14O4S,,,,,,IQPFAEANKOAQPX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.526,248-995-2,28371-99-5,"Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone","1-(2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl)ethanone",CC(=O)C1CC\\C(=C\\CC\\C(=C\\C\\C=C\\1/C)\\C)\\C,CC(=O)C1CC\C(=C\CC\C(=C\C\C=C\1/C)\C)\C,"InChI=1/C17H26O/c1-13-7-5-8-14(2)11-12-17(16(4)18)15(3)10-6-9-13/h8-10,17H,5-7,11-12H2,1-4H3",C17H26O,,,,,,QWAUHUKNKGMBBD-HZIMSJNISA-N,,,,,,,,,,,
100.044.532,249-002-5,28384-26-1,"1-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-1-one","1-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-1-one",CCCC(=O)C1=C(C)CCCC1(C)C,CCCC(=O)C1=C(C)CCCC1(C)C,"InChI=1/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-9H2,1-4H3",C13H22O,,,,,,YSNUQUZESSITCX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.537,249-007-2,28401-75-4,N-1-naphthyl-l-glutamine,N~2~-1-naphthylglutamine,NC(=O)CCC(Nc1cccc2ccccc12)C(=O)O,NC(=O)CCC(Nc1cccc2ccccc12)C(=O)O,"InChI=1/C15H16N2O3/c16-14(18)9-8-13(15(19)20)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,17H,8-9H2,(H2,16,18)(H,19,20)",C15H16N2O3,,,,,,HKLQAUAUMGSBHL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.538,249-008-8,28407-37-6,"Tetrasodium [µ-[[3,3'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-)","tetrasodium mu-[5-amino-3-{[4'-{[8-amino-1-(hydroxy-1kappaO)-3,6-disulfo-2-naphthyl]diazenyl}-3'-(hydroxy-1kappaO)-3-(hydroxy-2kappaO)biphenyl-4-yl]diazenyl}-4-(hydroxy-2kappaO)naphthalene-2,7-disulfonato(8-)]dicuprate(4-)",[Na+].[Na+].[Na+].[Na+].Nc1cc(cc2cc(c3N=Nc4ccc(cc4O[Cu]Oc3c12)c5ccc6N=Nc7c(O[Cu]Oc6c5)c8c(N)cc(cc8cc7S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].Nc1cc(cc2cc(c3N=Nc4ccc(cc4O[Cu]Oc3c12)c5ccc6N=Nc7c(O[Cu]Oc6c5)c8c(N)cc(cc8cc7S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/rC32H20Cu2N6O16S4.4Na/c35-19-11-17(57(41,42)43)5-15-9-25(59(47,48)49)29-31(27(15)19)55-33-53-23-7-13(1-3-21(23)37-39-29)14-2-4-22-24(8-14)54-34-56-32-28-16(6-18(12-20(28)36)58(44,45)46)10-26(60(50,51)52)30(32)40-38-22;;;;/h1-12H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4",C32H16Cu2N6O16S4.4Na,,,,,,GWEZPAIPHHUMTI-UHFFFAOYSA-F,,,,,,,,,,,
100.044.545,249-016-1,28434-93-7,"2,6-diisopropyl-m-cresol","2,6-diisopropyl-3-methylphenol",CC(C)c1ccc(C)c(C(C)C)c1O,CC(C)c1ccc(C)c(C(C)C)c1O,"InChI=1/C13H20O/c1-8(2)11-7-6-10(5)12(9(3)4)13(11)14/h6-9,14H,1-5H3",C13H20O,,,,,,KEGGEHPMMDYTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.546,249-017-7,28435-84-9,"(1a,3ß,4a,6a)-3-hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-4-yl acetate","4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl acetate",CC(=O)O[C@@H]1C[C@@H]2[C@H](C[C@@]1(C)O)C2(C)C,CC(=O)O[C@@H]1C[C@@H]2[C@H](C[C@@]1(C)O)C2(C)C,"InChI=1/C12H20O3/c1-7(13)15-10-5-8-9(11(8,2)3)6-12(10,4)14/h8-10,14H,5-6H2,1-4H3",C12H20O3,,,,,,ULLVLQDHBOHWGJ-DTHBNOIPSA-N,,,,,,,,,,,
100.020.718,222-789-2,3614-69-5,Dimetindene hydrogen maleate,"N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine but-2-enedioate",CC(C=1c2ccccc2CC=1CCN(C)C)c3ccccn3.OC(=O)C=CC(O)=O,CC(C=1c2ccccc2CC=1CCN(C)C)c3ccccn3.OC(=O)C=CC(O)=O,"InChI=1/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C20H24N2.C4H4O4,,,,,,SWECWXGUJQLXJF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.719,222-790-8,3615-17-6,2-acetamido-2-deoxy-D-mannose,2-acetamido-2-deoxy-D-mannose,CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)",C8H15NO6,,,,,,MBLBDJOUHNCFQT-WCTZXXKLSA-N,,,,,,,,,,,
100.020.721,222-792-9,3615-37-0,D-fucose,6-deoxy-D-galactose,C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O,C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3",C6H12O5,,,,,,PNNNRSAQSRJVSB-DPYQTVNSSA-N,,,,,,,,,,,
100.020.728,222-800-0,3616-56-6,"(2,2-diethoxyethyl)dimethylamine","2,2-diethoxy-N,N-dimethylethanamine",CCOC(CN(C)C)OCC,CCOC(CN(C)C)OCC,"InChI=1/C8H19NO2/c1-5-10-8(11-6-2)7-9(3)4/h8H,5-7H2,1-4H3",C8H19NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10593,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.728,SSFAUOAQOOISRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.793,222-871-8,9/11/3644,N-(methoxymethyl)acrylamide,N-(methoxymethyl)acrylamide,COCNC(=O)C=C,COCNC(=O)C=C,"InChI=1/C5H9NO2/c1-3-5(7)6-4-8-2/h3H,1,4H2,2H3,(H,6,7)",C5H9NO2,,,,,,ULYOZOPEFCQZHH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.796,222-874-4,3644-56-2,"2-chloro-N-(2,6-dichlorophenyl)acetamide","2-chloro-N-(2,6-dichlorophenyl)acetamide",ClCC(=O)Nc1c(Cl)cccc1Cl,ClCC(=O)Nc1c(Cl)cccc1Cl,"InChI=1/C8H6Cl3NO/c9-4-7(13)12-8-5(10)2-1-3-6(8)11/h1-3H,4H2,(H,12,13)",C8H6Cl3NO,,,,,,CZAFLRAOEDDMCS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.801,222-880-7,3647-33-4,"Ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate","ethyl 2,3-anhydro-4,5-dideoxy-3-methylpentonate",CCOC(=O)C1OC1(C)CC,CCOC(=O)C1OC1(C)CC,"InChI=1/C8H14O3/c1-4-8(3)6(11-8)7(9)10-5-2/h6H,4-5H2,1-3H3",C8H14O3,,,,,,JOZYMCPJDYLLDD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.802,222-881-2,3647-69-6,4-(2-chloroethyl)morpholinium chloride,4-(2-chloroethyl)morpholin-4-ium chloride,[Cl-].ClCC[NH+]1CCOCC1,[Cl-].ClCC[NH+]1CCOCC1,InChI=1/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H,C6H12ClNO.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19076,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.802,NBJHDLKSWUDGJG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.807,222-887-5,3648-36-0,"2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-(2-{4-[(2-chloroethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,[Cl-].CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C22H26ClN2.ClH/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1",C22H26ClN2.Cl,,,,,,ZTBANYZVKCGOKD-UHFFFAOYSA-M,,,,,,,,,,,
100.020.811,222-891-7,3/02/3651,4-(phenylazo)-1-naphthol,4-(phenyldiazenyl)-1-naphthol,Oc3ccc(N=Nc1ccccc1)c2ccccc23,Oc3ccc(N=Nc1ccccc1)c2ccccc23,"InChI=1/C16H12N2O/c19-16-11-10-15(13-8-4-5-9-14(13)16)18-17-12-6-2-1-3-7-12/h1-11,19H",C16H12N2O,,,,,,CQYDCXNJLAOBIF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.812,222-892-2,3651-62-5,3-hydroxy-4'-methyl-2-naphthanilide,3-hydroxy-N-(4-methylphenyl)-2-naphthamide,Cc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,Cc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,"InChI=1/C18H15NO2/c1-12-6-8-15(9-7-12)19-18(21)16-10-13-4-2-3-5-14(13)11-17(16)20/h2-11,20H,1H3,(H,19,21)",C18H15NO2,,,,,,NBBZFRCZVJXXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.813,222-893-8,3651-67-0,N-methylmorpholine hydrochloride,4-methylmorpholine hydrochloride,Cl.CN1CCOCC1,Cl.CN1CCOCC1,"InChI=1/C5H11NO.ClH/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H",C5H11NO.ClH,,,,,,BTJRKNUKPQBLAL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.816,222-896-4,3654-49-7,"1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one","1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one",Oc2ccc(C=CC(=O)C=Cc1ccc(O)cc1)cc2,Oc2ccc(C=CC(=O)C=Cc1ccc(O)cc1)cc2,"InChI=1/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H",C17H14O3,,,,,,FTEGUKWEUQPKIS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.817,222-898-5,3654-78-2,"Disodium 4,4'-bis[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(nc(n4)N(CCO)CCO)N(CCO)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(CCO)CCO,[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(nc(n4)N(CCO)CCO)N(CCO)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(CCO)CCO,"InChI=1/C36H52N12O14S2.2Na/c49-15-7-45(8-16-50)33-39-31(40-34(43-33)46(9-17-51)10-18-52)37-27-5-3-25(29(23-27)63(57,58)59)1-2-26-4-6-28(24-30(26)64(60,61)62)38-32-41-35(47(11-19-53)12-20-54)44-36(42-32)48(13-21-55)14-22-56;;/h1-6,23-24,49-56H,7-22H2,(H,57,58,59)(H,60,61,62)(H,37,39,40,43)(H,38,41,42,44);;/q;2*+1/p-2",C36H52N12O14S2.2Na,,,,,,JASSZWULUSJCFH-SEPHDYHBSA-L,,,,,,,,,,,
100.020.819,222-900-4,8/05/3655,"4-nitrophenyl N-[(1,1-dimethylethoxy)carbonyl]glycinate",4-nitrophenyl N-(tert-butoxycarbonyl)glycinate,CC(C)(C)OC(=O)NCC(=O)Oc1ccc(cc1)[N+](=O)[O-],CC(C)(C)OC(=O)NCC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C13H16N2O6/c1-13(2,3)21-12(17)14-8-11(16)20-10-6-4-9(5-7-10)15(18)19/h4-7H,8H2,1-3H3,(H,14,17)",C13H16N2O6,,,,,,YQLQFFHXBLDWLW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.820,222-902-5,3656-22-2,"2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanol","2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethanol",OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C17H17ClN2O3S/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)24(22,23)12-11-21/h1-8,21H,9-12H2",C17H17ClN2O3S,,,,,,WCXDRTSNSUAZLB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.828,222-910-9,3658-80-8,Dimethyl trisulphide,dimethyltrisulfane,CSSSC,CSSSC,InChI=1/C2H6S3/c1-3-5-4-2/h1-2H3,C2H6S3,,,,,,YWHLKYXPLRWGSE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.833,222-916-1,3663-22-7,4-butyl-2-nitroaniline,4-butyl-2-nitroaniline,CCCCc1ccc(N)c(c1)[N+](=O)[O-],CCCCc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C10H14N2O2/c1-2-3-4-8-5-6-9(11)10(7-8)12(13)14/h5-7H,2-4,11H2,1H3",C10H14N2O2,,,,,,RAKSJFYIAHRHCH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.992,224-190-1,4232-99-9,"3,5-dibromo-4-hydroxybenzenesulphonic acid","3,5-dibromo-4-hydroxybenzenesulfonic acid",Oc1c(Br)cc(cc1Br)S(=O)(=O)O,Oc1c(Br)cc(cc1Br)S(=O)(=O)O,"InChI=1/C6H4Br2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)",C6H4Br2O4S,,,,,,DMIMZHGXWWCGBD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.996,224-194-3,4236-15-1,Heptadecafluoro-N-(2-hydroxyethyl)-N-propyloctanesulphonamide,"N-(1-ethyl-3-hydroxypropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",CCC(CCO)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCC(CCO)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H12F17NO3S/c1-2-5(3-4-32)31-35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h5,31-32H,2-4H2,1H3",C13H12F17NO3S,,,,,,GIYINBNLBXBUPY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.997,224-195-9,4237-25-6,2-tert-butyl-5-ethylphenol,2-tert-butyl-5-ethylphenol,CCc1ccc(c(O)c1)C(C)(C)C,CCc1ccc(c(O)c1)C(C)(C)C,"InChI=1/C12H18O/c1-5-9-6-7-10(11(13)8-9)12(2,3)4/h6-8,13H,5H2,1-4H3",C12H18O,,,,,,NIKKCIWANYCKDL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.792,223-970-9,4146-43-4,Succinohydrazide,succinohydrazide,NNC(=O)CCC(=O)NN,NNC(=O)CCC(=O)NN,"InChI=1/C4H10N4O2/c5-7-3(9)1-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10)",C4H10N4O2,,,,,,HCOMFAYPHBFMKU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.793,223-971-4,4147-00-6,1-[4-(tert-butyl)-1-cyclohexen-1-yl]pyrrolidine,1-(4-tert-butylcyclohex-1-en-1-yl)pyrrolidine,CC(C)(C)C1CCC(=CC1)N2CCCC2,CC(C)(C)C1CCC(=CC1)N2CCCC2,"InChI=1/C14H25N/c1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15/h8,12H,4-7,9-11H2,1-3H3",C14H25N,,,,,,PFFAIOJNQWNGQK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.807,223-987-1,4154-63-6,3-hydroxy-4-[(4-methoxy-2-nitrophenyl)azo]naphthalene-2-carboxanilide,3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]-N-phenyl-2-naphthamide,[O-][N+](=O)c4cc(OC)ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O,[O-][N+](=O)c4cc(OC)ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O,"InChI=1/C24H18N4O5/c1-33-17-11-12-20(21(14-17)28(31)32)26-27-22-18-10-6-5-7-15(18)13-19(23(22)29)24(30)25-16-8-3-2-4-9-16/h2-14,29H,1H3,(H,25,30)",C24H18N4O5,,,,,,JNRQCXTYTFQXIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.809,223-989-2,4156-21-2,"Sodium p-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulphonate","sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,"InChI=1/C9H6Cl2N4O3S.Na/c10-7-13-8(11)15-9(14-7)12-5-1-3-6(4-2-5)19(16,17)18;/h1-4H,(H,16,17,18)(H,12,13,14,15);/q;+1/p-1",C9H6Cl2N4O3S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5491,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.809,BAINTIMFWTXLNC-UHFFFAOYSA-M,,,,,,,,,,,
100.021.817,223-998-1,4160-82-1,"Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dione","4,4-dimethyldihydro-2H-pyran-2,6(3H)-dione",CC1(C)CC(=O)OC(=O)C1,CC1(C)CC(=O)OC(=O)C1,"InChI=1/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3",C7H10O3,,,,,,HIJQFTSZBHDYKW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.822,224-003-3,4161-60-8,4-hydroxypentan-2-one,4-hydroxypentan-2-one,CC(O)CC(=O)C,CC(O)CC(=O)C,"InChI=1/C5H10O2/c1-4(6)3-5(2)7/h4,6H,3H2,1-2H3",C5H10O2,,,,,,PCYZZYAEGNVNMH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.824,224-005-4,4162-45-2,"4,4'-isopropylidenebis(2-(2,6-dibromophenoxy)ethanol)","2,2'-{propane-2,2-diylbis[(2,6-dibromo-4,1-phenylene)oxy]}diethanol",CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c2cc(Br)c(OCCO)c(Br)c2,CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c2cc(Br)c(OCCO)c(Br)c2,"InChI=1/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3",C19H20Br4O4,,,,,,RVHUMFJSCJBNGS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.828,224-010-1,4164-37-8,"1,4-dinitropiperazine","1,4-dinitropiperazine",[O-][N+](=O)N1CCN(CC1)[N+](=O)[O-],[O-][N+](=O)N1CCN(CC1)[N+](=O)[O-],InChI=1/C4H8N4O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H2,C4H8N4O4,,,,,,GSUMZAMXDRIYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.829,224-011-7,4164-39-0,"Piperazine-1,4-dicarbaldehyde","piperazine-1,4-dicarbaldehyde",O=CN1CCN(CC1)C=O,O=CN1CCN(CC1)C=O,"InChI=1/C6H10N2O2/c9-5-7-1-2-8(6-10)4-3-7/h5-6H,1-4H2",C6H10N2O2,,,,,,CBLGQEBXWDKYDI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.831,224-013-8,4165-57-5,Bromo(2H5)benzene,bromobenzene,Brc1ccccc1,Brc1ccccc1,InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H,C6BrD5,,,,,,QARVLSVVCXYDNA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.832,224-014-3,4165-60-0,Nitro(2H5)benzene,nitrobenzene,O=N(=O)c1ccccc1,O=N(=O)c1ccccc1,InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H,C6D5NO2,,,,,,LQNUZADURLCDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.835,224-018-5,4165-99-5,3-isopropylglutaric acid,3-isopropylpentanedioic acid,CC(C)C(CC(=O)O)CC(=O)O,CC(C)C(CC(=O)O)CC(=O)O,"InChI=1/C8H14O4/c1-5(2)6(3-7(9)10)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)",C8H14O4,,,,,,UCKCQQMLUHXLCR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.836,224-019-0,4166-46-5,"2,3-dimethylhexan-3-ol","2,3-dimethylhexan-3-ol",CCCC(C)(O)C(C)C,CCCC(C)(O)C(C)C,"InChI=1/C8H18O/c1-5-6-8(4,9)7(2)3/h7,9H,5-6H2,1-4H3",C8H18O,,,,,,CGWJMIUMPDDHQC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.550,222-605-0,3550-43-4,2-hydroxyhept-4-oxybenzophenone,[4-(heptyloxy)-2-hydroxyphenyl](phenyl)methanone,CCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C20H24O3/c1-2-3-4-5-9-14-23-17-12-13-18(19(21)15-17)20(22)16-10-7-6-8-11-16/h6-8,10-13,15,21H,2-5,9,14H2,1H3",C20H24O3,,,,,,HRFNCVKOUIZYTL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.853,222-938-1,3671-99-6,Glucose 6-(disodium phosphate),disodium 6-O-phosphonatohexose,OC(COP(=O)(O[Na])O[Na])C(O)C(O)C(O)C=O,OC(COP(=O)(O[Na])O[Na])C(O)C(O)C(O)C=O,"InChI=1/C6H13O9P.2Na/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;/q;2*+1/p-2/rC6H11Na2O9P/c7-16-18(14,17-8)15-2-4(11)6(13)5(12)3(10)1-9/h1,3-6,10-13H,2H2",C6H13O9P.2Na,,,,,,VQLXCAHGUGIEEL-UHFFFAOYSA-L,,,,,,,,,,,
100.020.855,222-940-2,7/09/3674,"Methyl 2,3-dichloropropionate","methyl 2,3-dichloropropanoate",COC(=O)C(Cl)CCl,COC(=O)C(Cl)CCl,"InChI=1/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3",C4H6Cl2O2,,,,,,OFHMODDLBXETIK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.858,222-943-9,3674-54-2,Tetrabutylammonium thiocyanate,"N,N,N-tributylbutan-1-aminium thiocyanate",CCCC[N+](CCCC)(CCCC)CCCC.[S-]C#N,CCCC[N+](CCCC)(CCCC)CCCC.[S-]C#N,"InChI=1/C16H36N.CHNS/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;3H/q+1;/p-1",C16H36N.CNS,,,,,,RSHBFZCIFFBTEW-UHFFFAOYSA-M,,,,,,,,,,,
100.020.861,222-947-0,3675-69-2,"1,2,2-tribromobutane","1,2,2-tribromobutane",CCC(Br)(Br)CBr,CCC(Br)(Br)CBr,"InChI=1/C4H7Br3/c1-2-4(6,7)3-5/h2-3H2,1H3",C4H7Br3,,,,,,LMTXANJNYFUPOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.863,222-949-1,3676-91-3,Tetramethyldiphosphine,tetramethyldiphosphane,CP(C)P(C)C,CP(C)P(C)C,InChI=1/C4H12P2/c1-5(2)6(3)4/h1-4H3,C4H12P2,,,,,,RLPGUIZCGVYNLO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.867,222-953-3,3678-70-4,2-benzhydrylpyridine,2-(diphenylmethyl)pyridine,c1ccc(cc1)C(c2ccccc2)c3ccccn3,c1ccc(cc1)C(c2ccccc2)c3ccccn3,"InChI=1/C18H15N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,18H",C18H15N,,,,,,MMXYNKLYVRNTCK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.868,222-954-9,3678-71-5,3-benzhydrylpyridine,3-(diphenylmethyl)pyridine,c1ccc(cc1)C(c2ccccc2)c3cccnc3,c1ccc(cc1)C(c2ccccc2)c3cccnc3,"InChI=1/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H",C18H15N,,,,,,HGVLJGHVYCBNBB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.870,222-957-5,3679-64-9,5-bromo-4'-chlorosalicylanilide,5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide,Oc1ccc(Br)cc1C(=O)Nc2ccc(Cl)cc2,Oc1ccc(Br)cc1C(=O)Nc2ccc(Cl)cc2,"InChI=1/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)",C13H9BrClNO2,,,,,,QBSGXIBYUQJHMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.871,222-958-0,2/02/3680,(methylsulphonyl)ethylene,(methylsulfonyl)ethene,CS(=O)(=O)C=C,CS(=O)(=O)C=C,"InChI=1/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3",C3H6O2S,,,,,,WUIJTQZXUURFQU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.381,224-618-7,4430-18-6,"Sodium 4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate","sodium 2-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzenesulfonate",[Na+].Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)[O-],[Na+].Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)[O-],"InChI=1/C21H15NO6S.Na/c1-11-6-7-14(17(10-11)29(26,27)28)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28);/q;+1/p-1",C21H15NO6S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17380,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.381,GTKIEPUIFBBXJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.015.137,216-650-5,1633-90-5,Hexane-3-thiol,hexane-3-thiol,CCCC(S)CC,CCCC(S)CC,"InChI=1/C6H14S/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3",C6H14S,,,,,,VOIGMFQJDZTEKW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.138,216-651-0,1633-97-2,2-methylpentane-2-thiol,2-methylpentane-2-thiol,CCCC(C)(C)S,CCCC(C)(C)S,"InChI=1/C6H14S/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3",C6H14S,,,,,,ISUXQQTXICTKOV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.142,216-655-2,1634-82-8,2-(p-hydroxyphenylazo)benzoic acid,2-[(4-hydroxyphenyl)diazenyl]benzoic acid,Oc2ccc(N=Nc1ccccc1C(O)=O)cc2,Oc2ccc(N=Nc1ccccc1C(O)=O)cc2,"InChI=1/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)",C13H10N2O3,,,,,,DWQOTEPNRWVUDA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.146,216-659-4,1635-31-0,3-amino-2-benzopyrone,3-amino-2H-chromen-2-one,NC1=Cc2ccccc2OC1=O,NC1=Cc2ccccc2OC1=O,"InChI=1/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2",C9H7NO2,,,,,,QWZHDKGQKYEBKK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.148,216-662-0,1635-84-3,"6-nitro-2,4-xylidine","2,4-dimethyl-6-nitroaniline",Cc1cc(C)c(N)c(c1)N(=O)=O,Cc1cc(C)c(N)c(c1)N(=O)=O,"InChI=1/C8H10N2O2/c1-5-3-6(2)8(9)7(4-5)10(11)12/h3-4H,9H2,1-2H3",C8H10N2O2,,,,,,VSRYYONYIUUFFY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.155,216-669-9,1638-12-6,"1,3-bis(4-phenoxyphenoxy)benzene","1,3-bis(4-phenoxyphenoxy)benzene",O(c1ccccc1)c2ccc(Oc3cccc(Oc4ccc(Oc5ccccc5)cc4)c3)cc2,O(c1ccccc1)c2ccc(Oc3cccc(Oc4ccc(Oc5ccccc5)cc4)c3)cc2,InChI=1/C30H22O4/c1-3-8-23(9-4-1)31-25-14-18-27(19-15-25)33-29-12-7-13-30(22-29)34-28-20-16-26(17-21-28)32-24-10-5-2-6-11-24/h1-22H,C30H22O4,,,,,,KYSKNYFGWVBAOD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.158,216-673-0,1638-26-2,"1,1-dimethylcyclopentane","1,1-dimethylcyclopentane",CC1(C)CCCC1,CC1(C)CCCC1,"InChI=1/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3",C7H14,,,,,,QWHNJUXXYKPLQM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.733,222-805-8,3618-43-7,"Tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bis[N-(carboxylatomethyl)aminoacetate] S,S-dioxide","trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate",Cc1cc(cc(CN(CC(=O)O)CC(=O)O[Na])c1O)C2(c3cc(C)c(O)c(CN(CC(=O)O[Na])CC(=O)O[Na])c3)c4ccccc4OS2(=O)=O,Cc1cc(cc(CN(CC(=O)O)CC(=O)O[Na])c1O)C2(c3cc(C)c(O)c(CN(CC(=O)O[Na])CC(=O)O[Na])c3)c4ccccc4OS2(=O)=O,"InChI=1/C31H32N2O13S.3Na/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)46-47(31,44)45)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41;;;/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41);;;/q;3*+1/p-3",C31H32N2O13S.4Na,,,,,,GAAUERADCKMDLZ-UHFFFAOYSA-K,,,,,,,,,,,
100.020.736,222-808-4,3618-60-8,"Sodium 5-chloro-3-[(1,5-dihydroxy-2-naphthyl)azo]-2-hydroxybenzenesulphonate","sodium 5-chloro-3-[(1,5-dihydroxy-2-naphthyl)diazenyl]-2-hydroxybenzenesulfonate",[Na+].Clc3cc(c(O)c(N=Nc2ccc1c(O)cccc1c2O)c3)S([O-])(=O)=O,[Na+].Clc3cc(c(O)c(N=Nc2ccc1c(O)cccc1c2O)c3)S([O-])(=O)=O,"InChI=1/C16H11ClN2O6S.Na/c17-8-6-12(16(22)14(7-8)26(23,24)25)19-18-11-5-4-9-10(15(11)21)2-1-3-13(9)20;/h1-7,20-22H,(H,23,24,25);/q;+1/p-1",C16H11ClN2O6S.Na,,,,,,WZHKOJWGCKMJOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.740,222-813-1,3618-72-2,"2,2'-[[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]imino]diethyl diacetate","({5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}imino)diethane-2,1-diyl diacetate",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)",C23H25BrN6O10,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17330,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.740,JSRUDOBCTLPTFO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.747,222-821-5,3622-30-8,"2,4-dichlorobenzothiazole","2,4-dichloro-1,3-benzothiazole",Clc1cccc2sc(Cl)nc12,Clc1cccc2sc(Cl)nc12,InChI=1/C7H3Cl2NS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,C7H3Cl2NS,,,,,,JJWANONAOYNRME-UHFFFAOYSA-N,,,,,,,,,,,
100.020.748,222-822-0,3622-40-0,2-bromo-4-chlorobenzothiazole,"2-bromo-4-chloro-1,3-benzothiazole",Clc1cccc2sc(Br)nc12,Clc1cccc2sc(Br)nc12,InChI=1/C7H3BrClNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H,C7H3BrClNS,,,,,,OYBFKJFWVAZRMI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.749,222-823-6,3622-84-2,N-butylbenzenesulphonamide,N-butylbenzenesulfonamide,CCCCNS(=O)(=O)c1ccccc1,CCCCNS(=O)(=O)c1ccccc1,"InChI=1/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3",C10H15NO2S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13402,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.749,IPRJXAGUEGOFGG-UHFFFAOYSA-N,Positive,SM878901,[M+H]+,HCD35,141.0004:158.0271:95.0492,CASMI_2016,,,,,
100.022.004,224-204-6,4245-35-6,Isopentyl acrylate,3-methylbutyl acrylate,CC(C)CCOC(=O)C=C,CC(C)CCOC(=O)C=C,"InChI=1/C8H14O2/c1-4-8(9)10-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3",C8H14O2,,,,,,ZVYGIPWYVVJFRW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.005,224-205-1,4245-37-8,Vinyl methacrylate,vinyl methacrylate,CC(=C)C(=O)OC=C,CC(=C)C(=O)OC=C,"InChI=1/C6H8O2/c1-4-8-6(7)5(2)3/h4H,1-2H2,3H3",C6H8O2,,,,,,FFYWKOUKJFCBAM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.006,224-206-7,4245-77-6,N-ethyl-N'-nitro-N-nitrosoguanidine,1-ethyl-3-nitro-1-nitrosoguanidine,CCN(N=O)C(=N)N[N+](=O)[O-],CCN(N=O)C(=N)N[N+](=O)[O-],"InChI=1/C3H7N5O3/c1-2-7(6-9)3(4)5-8(10)11/h2H2,1H3,(H2,4,5)",C3H7N5O3,,,,,,ZGONASGBWOJHDD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.263,221-188-2,3026-63-9,Sodium tridecyl sulphate,sodium tridecyl sulfate,[Na+].CCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C13H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1",C13H28O4S.Na,,,,,,HQCFDOOSGDZRII-UHFFFAOYSA-M,,,,,,,,,,,
100.019.274,221-200-6,6/06/3030,1-acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate,1-acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate,CC(=O)Oc1cn(C(=O)C)c2ccc(Br)c(Cl)c12,CC(=O)Oc1cn(C(=O)C)c2ccc(Br)c(Cl)c12,"InChI=1/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H3",C12H9BrClNO3,,,,,,DSHQTSIXXYZXGR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.284,221-211-6,3031-74-1,Ethyl hydroperoxide,ethyl hydroperoxide,CCOO,CCOO,"InChI=1/C2H6O2/c1-2-4-3/h3H,2H2,1H3",C2H6O2,,,,,,ILHIHKRJJMKBEE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.296,221-224-7,3034-38-6,4-nitroimidazole,4-nitro-1H-imidazole,[O-][N+](=O)c1c[nH]cn1,[O-][N+](=O)c1c[nH]cn1,"InChI=1/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)",C3H3N3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17670,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.296,VYDWQPKRHOGLPA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.304,221-233-6,3036-16-6,3-(2-ammonioethyl)-5-hydroxy-1H-indolium oxalate,3-(2-ammonioethyl)-5-hydroxy-1H-indolium oxalate,[NH3+]CCC1=C[NH+]c2ccc(O)cc12.[O-]C(=O)C(=O)[O-],[NH3+]CCC1=C[NH+]c2ccc(O)cc12.[O-]C(=O)C(=O)[O-],"InChI=1/C10H12N2O.C2H2O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;3-1(4)2(5)6/h1-2,5-6,12-13H,3-4,11H2;(H,3,4)(H,5,6)",C10H12N2O.C2H2O4,,,,,,VTBOICJSERLVPD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.308,221-237-8,3037-89-6,Dioctadecyl hydrogen phosphate,dioctadecyl hydrogen phosphate,CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C36H75O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)",C36H75O4P,,,,,,FRXGWNKDEMTFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.837,216-320-0,1558-97-0,Diethyl [2-(phenylthio)ethyl]malonate,diethyl [2-(phenylsulfanyl)ethyl]malonate,CCOC(=O)C(CCSc1ccccc1)C(=O)OCC,CCOC(=O)C(CCSc1ccccc1)C(=O)OCC,"InChI=1/C15H20O4S/c1-3-18-14(16)13(15(17)19-4-2)10-11-20-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",C15H20O4S,,,,,,XNJMBDCTYAVRKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.838,216-321-6,1559-02-0,"Diethyl cyclopropane-1,1-dicarboxylate","diethyl cyclopropane-1,1-dicarboxylate",CCOC(=O)C1(CC1)C(=O)OCC,CCOC(=O)C1(CC1)C(=O)OCC,"InChI=1/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3",C9H14O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17845,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.838,KYYUCZOHNYSLFV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.839,216-322-1,1559-34-8,"3,6,9,12-tetraoxahexadecan-1-ol","3,6,9,12-tetraoxahexadecan-1-ol",CCCCOCCOCCOCCOCCO,CCCCOCCOCCOCCOCCO,"InChI=1/C12H26O5/c1-2-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13/h13H,2-12H2,1H3",C12H26O5,,,,,,MXVMODFDROLTFD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.840,216-323-7,1559-35-9,2-[(2-ethylhexyl)oxy]ethanol,2-[(2-ethylhexyl)oxy]ethanol,CCCCC(CC)COCCO,CCCCC(CC)COCCO,"InChI=1/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3",C10H22O2,,,,,,OHJYHAOODFPJOD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.842,216-325-8,1559-86-0,"2-bromo-1,3,4,5-tetrafluorobenzene","2-bromo-1,3,4,5-tetrafluorobenzene",Fc1cc(F)c(Br)c(F)c1F,Fc1cc(F)c(Br)c(F)c1F,InChI=1/C6HBrF4/c7-4-2(8)1-3(9)5(10)6(4)11/h1H,C6HBrF4,,,,,,AHJRONLVHNFUNH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.848,216-332-6,1560-54-9,Allyltriphenylphosphonium bromide,allyl(triphenyl)phosphonium bromide,[Br-].C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1",C21H20P.Br,,,,,,FWYKRJUVEOBFGH-UHFFFAOYSA-M,,,,,,,,,,,
100.014.861,216-346-2,1562-90-9,"1-carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride","1-carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride",[Cl-].CCN(CC)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)N,[Cl-].CCN(CC)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)N,"InChI=1/C17H17N3O4.ClH/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22;/h5-8H,3-4H2,1-2H3,(H3-,18,19,21,22,23);1H",C17H18N3O4.Cl,,,,,,CYOGQUOMCGPSCA-UHFFFAOYSA-M,,,,,,,,,,,
100.014.867,216-353-0,1563-66-2,Carbofuran,"2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate",CNC(=O)Oc1cccc2CC(C)(C)Oc12,CNC(=O)Oc1cccc2CC(C)(C)Oc12,"InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)",C12H15NO3,,,,,,DUEPRVBVGDRKAG-UHFFFAOYSA-N,Positive,EQ304001|EQ304002|EQ304003|EQ304004|EQ304005|EQ304006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,165.0909:222.1122:123.0439|165.0909:123.0439:222.1122|123.0439:165.0908:137.0596|123.0439:165.0908:137.0596|123.0439:91.0541:95.0491|123.0439:95.0491:91.0542,Eawag,,,,,
100.014.868,216-354-6,1563-83-3,N-acetyl-N-ethylacetamide,N-acetyl-N-ethylacetamide,CCN(C(=O)C)C(=O)C,CCN(C(=O)C)C(=O)C,"InChI=1/C6H11NO2/c1-4-7(5(2)8)6(3)9/h4H2,1-3H3",C6H11NO2,,,,,,OUUWATVJTLBCFV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.869,216-355-1,1563-84-4,N-acetyl-N-propylacetamide,N-acetyl-N-propylacetamide,CCCN(C(=O)C)C(=O)C,CCCN(C(=O)C)C(=O)C,"InChI=1/C7H13NO2/c1-4-5-8(6(2)9)7(3)10/h4-5H2,1-3H3",C7H13NO2,,,,,,VZJZGMRFZOEBAC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.128,216-640-0,1632-76-4,3-methylpyridazine,3-methylpyridazine,Cc1cccnn1,Cc1cccnn1,"InChI=1/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3",C5H6N2,,,,,,MXDRPNGTQDRKQM-UHFFFAOYSA-N,Positive,SM804205,[M+H]+,HCD35,95.0603:68.0495:67.0417,CASMI_2016,,,,,
100.038.968,242-882-1,19210-54-9,"1,3-dithiolan-2-iminium hydrogen sulphate","1,3-dithiolan-2-iminium hydrogen sulfate",[O-]S(=O)(=O)[O-].[NH2+]=C1SCCS1,[O-]S(=O)(=O)[O-].[NH2+]=C1SCCS1,"InChI=1/C3H5NS2.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h4H,1-2H2;(H2,1,2,3,4)/p-1",C3H5NS2.H2O4S,,,,,,DNFYSWDNSNKUOM-UHFFFAOYSA-M,,,,,,,,,,,
100.038.975,242-890-5,19220-17-8,"1,3-diamino-5-phenylphenazinium chloride","1,3-diamino-5-phenylphenazin-5-ium chloride",[Cl-].Nc1cc(N)c2nc3ccccc3[n+](c4ccccc4)c2c1,[Cl-].Nc1cc(N)c2nc3ccccc3[n+](c4ccccc4)c2c1,"InChI=1/C18H14N4.ClH/c19-12-10-14(20)18-17(11-12)22(13-6-2-1-3-7-13)16-9-5-4-8-15(16)21-18;/h1-11H,(H3,19,20);1H",C18H15N4.Cl,,,,,,ROPQCOBYNJQQRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.977,242-892-6,19222-41-4,Ammonium D-gluconate,"ammonium 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",[NH4+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[NH4+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C6H12O7.H3N/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);1H3",C6H12O7.H3N,,,,,,XLCNHLXQKYRGKZ-JJKGCWMISA-N,,,,,,,,,,,
100.038.978,242-893-1,19223-55-3,(2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium hydroxide,"N-[3-(dodecanoylamino)propyl]-2-hydroxy-N,N-dimethyl-3-sulfopropan-1-aminium hydroxide",[OH-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)O,[OH-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)O,"InChI=1/C20H42N2O5S.H2O/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27;/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27);1H2",C20H42N2O5S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11132,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.978,LCLDNSRTAXDPFE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.980,242-895-2,19224-29-4,"2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bisethyl diacetate","propane-2,2-diylbis(4,1-phenyleneoxyethane-2,1-diyl) diacetate",CC(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)C)cc2,CC(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)C)cc2,"InChI=1/C23H28O6/c1-17(24)26-13-15-28-21-9-5-19(6-10-21)23(3,4)20-7-11-22(12-8-20)29-16-14-27-18(2)25/h5-12H,13-16H2,1-4H3",C23H28O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16813,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.980,HBDPNIKSHRQAJF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.553,222-608-7,3554-65-2,1-methylpyrrolidine-2-methanol,(1-methylpyrrolidin-2-yl)methanol,CN1CCCC1CO,CN1CCCC1CO,"InChI=1/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3",C6H13NO,,,,,,VCOJPHPOVDIRJK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.555,222-610-8,1/11/3555,Allyl pentabromophenyl ether,"1-(allyloxy)-2,3,4,5,6-pentabromobenzene",Brc1c(Br)c(Br)c(OCC=C)c(Br)c1Br,Brc1c(Br)c(Br)c(OCC=C)c(Br)c1Br,"InChI=1/C9H5Br5O/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1,3H2",C9H5Br5O,,,,,,VCNJVIWFSMCZPE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.556,222-611-3,3555-18-8,4-(1-methylpropyl)-2-nitrophenol,4-sec-butyl-2-nitrophenol,CCC(C)c1ccc(O)c(c1)[N+](=O)[O-],CCC(C)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C10H13NO3/c1-3-7(2)8-4-5-10(12)9(6-8)11(13)14/h4-7,12H,3H2,1-2H3",C10H13NO3,,,,,,GCDCKEORRIGZKI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.563,222-619-7,3558-60-9,(2-methoxyethyl)benzene,(2-methoxyethyl)benzene,COCCc1ccccc1,COCCc1ccccc1,"InChI=1/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",C9H12O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12533,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.563,CQLYXIUHVFRXLT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.564,222-620-2,3558-69-8,"2,6-diphenylpyridine","2,6-diphenylpyridine",c1ccc(cc1)c2cccc(n2)c3ccccc3,c1ccc(cc1)c2cccc(n2)c3ccccc3,InChI=1/C17H13N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H,C17H13N,,,,,,PJUOHDQXFNPPRF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.565,222-621-8,4/07/3560,1-benzyl-4-(propylamino)piperidine-4-carbonitrile,1-benzyl-4-(propylamino)piperidine-4-carbonitrile,CCCNC1(CCN(Cc2ccccc2)CC1)C#N,CCCNC1(CCN(Cc2ccccc2)CC1)C#N,"InChI=1/C16H23N3/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15/h3-7,18H,2,8-13H2,1H3",C16H23N3,,,,,,UKAHSGVHHIAEEA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.568,222-624-4,3561-67-9,[methylenebis(thio)]bisbenzene,"1,1'-(methylenedisulfanediyl)dibenzene",C(Sc1ccccc1)Sc2ccccc2,C(Sc1ccccc1)Sc2ccccc2,"InChI=1/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2",C13H12S2,,,,,,ZHUPZVIALZHGGP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.575,222-632-8,3563-14-2,Sulfasuccinamide,4-oxo-4-[(4-sulfamoylphenyl)amino]butanoic acid,NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,"InChI=1/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)",C10H12N2O5S,,,,,,RXXXPZYBZLDQKP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.580,222-638-0,8/09/3564,"Disodium 3-hydroxy-4-[(2,4,5-trimethylphenyl)azo]naphthalene-2,7-disulphonate","disodium 3-hydroxy-4-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2cc(C)c(C)cc2C)c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2cc(C)c(C)cc2C)c3O)S([O-])(=O)=O,"InChI=1/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C19H18N2O7S2.2Na,,,,,,SWPPXVFKWWEYSV-UHFFFAOYSA-L,,,,,,,,,,,
100.020.586,222-644-3,3564-26-9,"Sodium 3-[(2,4-dihydroxyphenyl)azo]-4-hydroxybenzenesulphonate","sodium 3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonate",[Na+].Oc2cc(O)ccc2N=Nc1cc(ccc1O)S([O-])(=O)=O,[Na+].Oc2cc(O)ccc2N=Nc1cc(ccc1O)S([O-])(=O)=O,"InChI=1/C12H10N2O6S.Na/c15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16;/h1-6,15-17H,(H,18,19,20);/q;+1/p-1",C12H10N2O6S.Na,,,,,,MOLJFAGWUXDJJC-UHFFFAOYSA-M,,,,,,,,,,,
100.020.589,222-648-5,3564-70-3,"Disodium dibenzo[b,def]chrysene-7,14-diyl bis(sulphate)","disodium dibenzo[c,pqr]tetraphene-7,14-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c3ccc4c(OS(=O)(=O)[O-])c5ccccc5c6ccc1c3c46,[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c3ccc4c(OS(=O)(=O)[O-])c5ccccc5c6ccc1c3c46,"InChI=1/C24H14O8S2.2Na/c25-33(26,27)31-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)32-34(28,29)30;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C24H14O8S2.2Na,,,,,,DLIHJRCWNWWTSF-UHFFFAOYSA-L,,,,,,,,,,,
100.020.591,222-650-6,3565-26-2,5-nitrosoquinolin-8-ol,5-nitrosoquinolin-8-ol,Oc1ccc(N=O)c2cccnc12,Oc1ccc(N=O)c2cccnc12,"InChI=1/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H",C9H6N2O2,,,,,,RZWRYPGAUIOOMK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.592,220-450-3,2/07/2768,3-methoxybutyl acrylate,3-methoxybutyl acrylate,COC(C)CCOC(=O)C=C,COC(C)CCOC(=O)C=C,"InChI=1/C8H14O3/c1-4-8(9)11-6-5-7(2)10-3/h4,7H,1,5-6H2,2-3H3",C8H14O3,,,,,,NPYMXLXNEYZTMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.595,220-454-5,2768-53-8,3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-L-alanine,N-[(benzyloxy)carbonyl]-D-alanyl-L-phenylalanine,C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,"InChI=1/C20H22N2O5/c1-14(21-20(26)27-13-16-10-6-3-7-11-16)18(23)22-17(19(24)25)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)",C20H22N2O5,,,,,,BVNXQVWGWUHKMK-YOEHRIQHSA-N,,,,,,,,,,,
100.018.601,220-460-8,2769-94-0,"2,4-bis(1-phenylethyl)phenol","2,4-bis(1-phenylethyl)phenol",CC(c1ccccc1)c2ccc(O)c(c2)C(C)c3ccccc3,CC(c1ccccc1)c2ccc(O)c(c2)C(C)c3ccccc3,"InChI=1/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3",C22H22O,,,,,,RCFAHSGZAAFQJH-UHFFFAOYSA-N,,,,,,,,,,,
100.015.159,216-674-6,1638-63-7,1-(chloroformyl)benzyl acetate,2-chloro-2-oxo-1-phenylethyl acetate,ClC(=O)C(OC(C)=O)c1ccccc1,ClC(=O)C(OC(C)=O)c1ccccc1,"InChI=1/C10H9ClO3/c1-7(12)14-9(10(11)13)8-5-3-2-4-6-8/h2-6,9H,1H3",C10H9ClO3,,,,,,BERNQQVIUAZUHY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.162,216-677-2,1639-03-8,3-methylpentane-3-thiol,3-methylpentane-3-thiol,CCC(C)(S)CC,CCC(C)(S)CC,"InChI=1/C6H14S/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3",C6H14S,,,,,,AJWVDGABWLKIGT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.163,216-678-8,1639-09-4,Heptane-1-thiol,heptane-1-thiol,CCCCCCCS,CCCCCCCS,"InChI=1/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",C7H16S,,,,,,VPIAKHNXCOTPAY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.164,216-679-3,1639-31-2,"3,4,5-trimethylaniline","3,4,5-trimethylaniline",Cc1cc(N)cc(C)c1C,Cc1cc(N)cc(C)c1C,"InChI=1/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3",C9H13N,,,,,,BXCUMAUHMPSRPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.169,216-685-6,1640-39-7,"2,3,3-trimethyl-3H-indole","2,3,3-trimethyl-3H-indole",CC1=Nc2ccccc2C1(C)C,CC1=Nc2ccccc2C1(C)C,"InChI=1/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3",C11H13N,,,,,,FLHJIAFUWHPJRT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.174,216-690-3,1641-40-3,o-phenylene phosphorochloridite,o-phenylene phosphorochloridite,OP(Cl)Oc1ccccc1OP([O-])Cl,OP(Cl)Oc1ccccc1OP([O-])Cl,"InChI=1/C6H5Cl2O4P2/c7-13(9)11-5-3-1-2-4-6(5)12-14(8)10/h1-4,9H/q-1",C6H4ClO2P,,,,,,WZCCVTYZBVCLSB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.178,216-695-0,1641-93-6,Benzyldimethyl(tridecyl)ammonium chloride,"N-benzyl-N,N-dimethyltridecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1",C22H40N.Cl,,,,,,XIWFQDBQMCDYJT-UHFFFAOYSA-M,,,,,,,,,,,
100.015.180,216-697-1,1642-81-5,4-(chloromethyl)benzoic acid,4-(chloromethyl)benzoic acid,OC(=O)c1ccc(CCl)cc1,OC(=O)c1ccc(CCl)cc1,"InChI=1/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)",C8H7ClO2,,,,,,OITNBJHJJGMFBN-UHFFFAOYSA-N,,,,,,,,,,,
100.015.181,216-698-7,1643-15-8,(3-methylphenoxy)acetic acid,(3-methylphenoxy)acetic acid,Cc1cccc(OCC(=O)O)c1,Cc1cccc(OCC(=O)O)c1,"InChI=1/C9H10O3/c1-7-3-2-4-8(5-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O3,,,,,,VZECTCSEONQIPP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.184,216-701-1,1643-21-6,Potassium dodecane-1-sulphonate,potassium dodecane-1-sulfonate,[K+].CCCCCCCCCCCCS(=O)(=O)[O-],[K+].CCCCCCCCCCCCS(=O)(=O)[O-],"InChI=1/C12H26O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",C12H26O3S.K,,,,,,LQAZPMXASFNKCD-UHFFFAOYSA-M,,,,,,,,,,,
100.039.153,243-085-1,19461-38-2,N-glycyl-L-isoleucine,glycyl-L-isoleucine,CCC(C)[C@H](NC(=O)CN)C(=O)O,CCC(C)[C@H](NC(=O)CN)C(=O)O,"InChI=1/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",C8H16N2O3,,,,,,KGVHCTWYMPWEGN-MSZQBOFLSA-N,,,,,,,,,,,
100.039.162,243-095-6,19473-96-2,1-methyl 4-(2-carboxyvinyl)benzoate,3-[4-(methoxycarbonyl)phenyl]acrylic acid,COC(=O)c1ccc(\\C=C\\C(=O)O)cc1,COC(=O)c1ccc(\C=C\C(=O)O)cc1,"InChI=1/C11H10O4/c1-15-11(14)9-5-2-8(3-6-9)4-7-10(12)13/h2-7H,1H3,(H,12,13)",C11H10O4,,,,,,PVHMYONDAPXJSB-QPJJXVBHSA-N,,,,,,,,,,,
100.039.167,243-100-1,19480-15-0,Vinyl 3-butenoate,vinyl but-3-enoate,C=CCC(=O)OC=C,C=CCC(=O)OC=C,"InChI=1/C6H8O2/c1-3-5-6(7)8-4-2/h3-4H,1-2,5H2",C6H8O2,,,,,,PROZFBRPPCAADD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.171,243-104-3,19484-26-5,Tridecane-1-thiol,tridecane-1-thiol,CCCCCCCCCCCCCS,CCCCCCCCCCCCCS,"InChI=1/C13H28S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3",C13H28S,,,,,,IPBROXKVGHZHJV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.181,243-115-3,19501-58-7,4-methoxyphenylhydrazine hydrochloride,(4-methoxyphenyl)hydrazine hydrochloride,Cl.COc1ccc(NN)cc1,Cl.COc1ccc(NN)cc1,"InChI=1/C7H10N2O.ClH/c1-10-7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H",C7H10N2O.ClH,,,,,,FQHCPFMTXFJZJS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.650,249-131-7,28657-75-2,"1-(6-amino-1,3-benzodioxol-5-yl)ethan-1-one","1-(6-amino-1,3-benzodioxol-5-yl)ethanone",CC(=O)c1cc2OCOc2cc1N,CC(=O)c1cc2OCOc2cc1N,"InChI=1/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3",C9H9NO3,,,,,,DWTHYSZSRJOMSC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.653,249-134-3,28660-67-5,Dibutylbis(myristoyloxy)stannane,dibutyl[bis(tetradecanoyloxy)]stannane,CCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1/2C14H28O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-3-4-2;/h2*2-13H2,1H3,(H,15,16);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC36H72O4Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-35(37)39-41(33-11-7-3,34-12-8-4)40-36(38)32-30-28-26-24-22-20-18-16-14-10-6-2/h5-34H2,1-4H3",C36H72O4Sn,,,,,,CSCQRXVSACSECP-UHFFFAOYSA-L,,,,,,,,,,,
100.044.655,249-136-4,28664-35-9,"3-hydroxy-4,5-dimethylfuran-2(5H)-one","3-hydroxy-4,5-dimethylfuran-2(5H)-one",CC1OC(=O)C(=C1C)O,CC1OC(=O)C(=C1C)O,"InChI=1/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3",C6H8O3,,,,,,UNYNVICDCJHOPO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.646,217-210-5,1777-82-8,"2,4-dichlorobenzyl alcohol","(2,4-dichlorophenyl)methanol",OCc1ccc(Cl)cc1Cl,OCc1ccc(Cl)cc1Cl,"InChI=1/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2",C7H6Cl2O,,,,,,DBHODFSFBXJZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.648,217-212-6,1778-02-5,Pregnenolone acetate,20-oxopregn-5-en-3-yl acetate,CC(=O)O[C@@H]3C\\C4=C\\C[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)C(C)=O)[C@@]4(C)CC3,CC(=O)O[C@@H]3C\C4=C\C[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)C(C)=O)[C@@]4(C)CC3,"InChI=1/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3",C23H34O3,,,,,,CRRKVZVYZQXICQ-RJJCNJEVSA-N,,,,,,,,,,,
100.015.649,217-213-1,1778-09-2,1-[4-(methylthio)phenyl]ethan-1-one,1-[4-(methylsulfanyl)phenyl]ethanone,CSc1ccc(cc1)C(=O)C,CSc1ccc(cc1)C(=O)C,"InChI=1/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3",C9H10OS,,,,,,JECUZQLBQKNEMW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.653,217-217-3,1779-48-2,Phenylphosphinic acid,phenylphosphonous acid,OP(O)c1ccccc1,OP(O)c1ccccc1,"InChI=1/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,7-8H",C6H7O2P,,,,,,CGNKSELPNJJTSM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.660,217-225-7,1780-17-2,2-quinolylmethanol,quinolin-2-ylmethanol,OCc1ccc2ccccc2n1,OCc1ccc2ccccc2n1,"InChI=1/C10H9NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6,12H,7H2",C10H9NO,,,,,,HREHOXSRYOZKNT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.664,217-229-9,1782-06-5,"5,6,7,8,10,10-hexachloro-3a,4,4a,5,8,8a,9,9a-octahydro-5,8-methanonaphtho[2,3-c]furan-1,3-dione","5,6,7,8,10,10-hexachloro-3a,4,4a,5,8,8a,9,9a-octahydro-5,8-methanonaphtho[2,3-c]furan-1,3-dione",ClC1=C(Cl)C2(Cl)C3CC4C(CC3C1(Cl)C2(Cl)Cl)C(=O)OC4=O,ClC1=C(Cl)C2(Cl)C3CC4C(CC3C1(Cl)C2(Cl)Cl)C(=O)OC4=O,"InChI=1/C13H8Cl6O3/c14-7-8(15)12(17)6-2-4-3(9(20)22-10(4)21)1-5(6)11(7,16)13(12,18)19/h3-6H,1-2H2",C13H8Cl6O3,,,,,,WGLYADVYCJUFAY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.673,217-239-3,1785-67-7,"Naphthalene-1,2,4-triyl triacetate","naphthalene-1,2,4-triyl triacetate",CC(=O)Oc1cc(OC(=O)C)c2ccccc2c1OC(=O)C,CC(=O)Oc1cc(OC(=O)C)c2ccccc2c1OC(=O)C,"InChI=1/C16H14O6/c1-9(17)20-14-8-15(21-10(2)18)16(22-11(3)19)13-7-5-4-6-12(13)14/h4-8H,1-3H3",C16H14O6,,,,,,QJECYGRWVGWSQT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.680,217-247-7,1787-34-4,Sodium dinonyl phosphate,sodium dinonyl phosphate,[Na+].CCCCCCCCCOP(=O)([O-])OCCCCCCCCC,[Na+].CCCCCCCCCOP(=O)([O-])OCCCCCCCCC,"InChI=1/C18H39O4P.Na/c1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3,(H,19,20);/q;+1/p-1",C18H39O4P.Na,,,,,,KECOWKBVYCBTPB-UHFFFAOYSA-M,,,,,,,,,,,
100.015.682,217-249-8,1787-52-6,N-acetyl-N-(2-methylpropyl)acetamide,N-acetyl-N-isobutylacetamide,CC(C)CN(C(=O)C)C(=O)C,CC(C)CN(C(=O)C)C(=O)C,"InChI=1/C8H15NO2/c1-6(2)5-9(7(3)10)8(4)11/h6H,5H2,1-4H3",C8H15NO2,,,,,,WQJBTSUJPQKSOP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.553,249-025-0,28446-72-2,4-chlorocinnamonitrile,3-(4-chlorophenyl)acrylonitrile,Clc1ccc(\\C=C\\C#N)cc1,Clc1ccc(\C=C\C#N)cc1,InChI=1/C9H6ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H,C9H6ClN,,,,,,PPCNBCKABHGVMX-OWOJBTEDSA-N,,,,,,,,,,,
100.044.560,249-032-9,28454-97-9,"1,4:3,6-dianhydro-D-glucitol monolaurate","1,4:3,6-dianhydro-2-O-dodecanoyl-D-glucitol",CCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,CCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,"InChI=1/C18H32O5/c1-2-3-4-5-6-7-8-9-10-11-16(20)23-15-13-22-17-14(19)12-21-18(15)17/h14-15,17-19H,2-13H2,1H3",C18H32O5,,,,,,CEZONBVMFRWNCJ-CYGHRXIMSA-N,,,,,,,,,,,
100.044.571,249-044-4,28472-97-1,Diisodecyl azelate,bis(8-methylnonyl) azelaate,CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C29H56O4/c1-26(2)20-14-8-6-12-18-24-32-28(30)22-16-10-5-11-17-23-29(31)33-25-19-13-7-9-15-21-27(3)4/h26-27H,5-25H2,1-4H3",C29H56O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11845,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.571,WLLCYXDFVBWGBU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.572,249-046-5,28473-03-2,Isooctyl 2-(4-chloro-2-methylphenoxy)propionate,6-methylheptyl 2-(4-chloro-2-methylphenoxy)propanoate,CC(C)CCCCCOC(=O)C(C)Oc1ccc(Cl)cc1C,CC(C)CCCCCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C18H27ClO3/c1-13(2)8-6-5-7-11-21-18(20)15(4)22-17-10-9-16(19)12-14(17)3/h9-10,12-13,15H,5-8,11H2,1-4H3",C18H27ClO3,,,,,,QSERAAUJOZXWGA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.576,249-050-7,28479-22-3,3-chloro-p-tolyl isocyanate,2-chloro-4-isocyanato-1-methylbenzene,Cc1ccc(cc1Cl)N=C=O,Cc1ccc(cc1Cl)N=C=O,"InChI=1/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3",C8H6ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1895,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.576,UKTKKMZDESVUEE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.580,249-054-9,28489-52-3,"3-methyl-2,6-diphenylpyridine","3-methyl-2,6-diphenylpyridine",Cc1ccc(nc1c2ccccc2)c3ccccc3,Cc1ccc(nc1c2ccccc2)c3ccccc3,"InChI=1/C18H15N/c1-14-12-13-17(15-8-4-2-5-9-15)19-18(14)16-10-6-3-7-11-16/h2-13H,1H3",C18H15N,,,,,,CZJKYAPZMSCBHB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.581,249-055-4,28491-95-4,4-chloro-N-ethyl-2-nitroaniline,4-chloro-N-ethyl-2-nitroaniline,CCNc1ccc(Cl)cc1[N+](=O)[O-],CCNc1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C8H9ClN2O2/c1-2-10-7-4-3-6(9)5-8(7)11(12)13/h3-5,10H,2H2,1H3",C8H9ClN2O2,,,,,,PVIUZYZWJNQCIR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.584,249-059-6,28507-96-2,"(R*,S*)-1,2,3,4-tetrachlorobutane","1,2,3,4-tetrachlorobutane",ClCC(Cl)C(Cl)CCl,ClCC(Cl)C(Cl)CCl,"InChI=1/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2",C4H6Cl4,,,,,,IXZVKECRTHXEEW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.982,242-897-3,19230-45-6,3'-iodoacetanilide,N-(3-iodophenyl)acetamide,CC(=O)Nc1cccc(I)c1,CC(=O)Nc1cccc(I)c1,"InChI=1/C8H8INO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)",C8H8INO,,,,,,AMUUVYMMGLMBIW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.983,242-898-9,19230-81-0,2-imino-1-methylimidazolidin-4-one hydrochloride,2-imino-1-methylimidazolidin-4-one hydrochloride,Cl.CN1CC(=O)NC1=N,Cl.CN1CC(=O)NC1=N,"InChI=1/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H",C4H7N3O.ClH,,,,,,PJYONPGZTHDDJM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.989,242-905-5,19238-49-4,Calcium L-glutamate,calcium 2-aminopentanedioate,[Ca+2].N[C@@H](CCC(=O)[O-])C(=O)[O-],[Ca+2].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.Ca/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+2/p-2",C5H9NO4.xCa,,,,,,NIDRASOKXCQPKX-DFWYDOINSA-L,,,,,,,,,,,
100.038.995,242-911-8,19245-41-1,"2,4-di-tert-butyl-5-ethylphenol","2,4-di-tert-butyl-5-ethylphenol",CCc1cc(O)c(cc1C(C)(C)C)C(C)(C)C,CCc1cc(O)c(cc1C(C)(C)C)C(C)(C)C,"InChI=1/C16H26O/c1-8-11-9-14(17)13(16(5,6)7)10-12(11)15(2,3)4/h9-10,17H,8H2,1-7H3",C16H26O,,,,,,OATMJDXPGMCSRS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.996,242-912-3,19245-85-3,N-acetyl-N-L-alanyl-N-L-alanyl-L-alanine,N-acetylalanylalanylalanine,CC(NC(=O)C(C)NC(=O)C(C)NC(=O)C)C(=O)O,CC(NC(=O)C(C)NC(=O)C(C)NC(=O)C)C(=O)O,"InChI=1/C11H19N3O5/c1-5(12-8(4)15)9(16)13-6(2)10(17)14-7(3)11(18)19/h5-7H,1-4H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)",C11H19N3O5,,,,,,DRYOODAJROGPQO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.130,243-060-5,19433-94-4,N-[3-[(2-cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide,N-{3-[(2-cyanoethyl)(ethyl)amino]-4-methoxyphenyl}acetamide,CCN(CCC#N)c1cc(NC(=O)C)ccc1OC,CCN(CCC#N)c1cc(NC(=O)C)ccc1OC,"InChI=1/C14H19N3O2/c1-4-17(9-5-8-15)13-10-12(16-11(2)18)6-7-14(13)19-3/h6-7,10H,4-5,9H2,1-3H3,(H,16,18)",C14H19N3O2,,,,,,GMJYHCWSTTTWRT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.131,243-061-0,19434-34-5,o-phenoxybenzaldehyde,2-phenoxybenzaldehyde,O=Cc1ccccc1Oc2ccccc2,O=Cc1ccccc1Oc2ccccc2,InChI=1/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H,C13H10O2,,,,,,IMPIIVKYTNMBCD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.138,243-068-9,19437-42-4,"Naphthalene-1,3,6-trisulphonic acid, sodium salt","sodium 3,6-disulfonaphthalene-1-sulfonate",[Na+].OS(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)[O-],[Na+].OS(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)[O-],"InChI=1/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1",C10H8O9S3.xNa,,,,,,BERQWQSQOIEUMA-UHFFFAOYSA-M,,,,,,,,,,,
100.042.979,247-292-8,25837-05-2,(2H10)ethylbenzene,ethylbenzene,CCc1ccccc1,CCc1ccccc1,"InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",C8D10,,,,,,YNQLUTRBYVCPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.989,247-304-1,25869-00-5,Ammonium iron(3+) hexakis(cyano-C)ferrate(4-),-,[NH4+].[Fe+2].[Fe+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N,[NH4+].[Fe+2].[Fe+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N,InChI=1/6CN.2Fe.H3N/c6*1-2;;;/h;;;;;;;;1H3/q6*-1;+2;+3;/p+1,C6FeN6.Fe.H4N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15820,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.989,ILZWGESBVHGTRX-UHFFFAOYSA-O,,,,,,,,,,,
100.042.993,247-308-3,25875-51-8,Robenidine,"N',2-bis(4-chlorobenzylidene)hydrazinecarboximidohydrazide",Clc2ccc(C=NNC(=N)NN=Cc1ccc(Cl)cc1)cc2,Clc2ccc(C=NNC(=N)NN=Cc1ccc(Cl)cc1)cc2,"InChI=1/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)",C15H13Cl2N5,,,,,,MOOFYEJFXBSZGE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.995,247-310-4,25882-44-4,Disodium 1-[2-[(1-oxododecyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxo-3-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCC(=O)NCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)NCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-18(23)15(14-17(21)22)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,24,25,26);;/q;2*+1/p-2",C18H33NO8S.2Na,,,,,,ZLXKGZDDAUUGBN-UHFFFAOYSA-L,,,,,,,,,,,
100.042.997,247-313-0,25887-71-2,"3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propylammonium chloride","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propan-1-aminium chloride",[Cl-].[NH3+]CCC=C1c2ccccc2CCc3ccccc13,[Cl-].[NH3+]CCC=C1c2ccccc2CCc3ccccc13,"InChI=1/C18H19N.ClH/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18;/h1-4,6-10H,5,11-13,19H2;1H",C18H19N.ClH,,,,,,ZNWIJGWRFQGTGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.628,249-107-6,28623-46-3,Nonadecanenitrile,nonadecanenitrile,CCCCCCCCCCCCCCCCCCC#N,CCCCCCCCCCCCCCCCCCC#N,"InChI=1/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-18H2,1H3",C19H37N,,,,,,MVDGSHXQMOKTDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.631,249-110-2,28631-35-8,"Isooctyl 2-(2,4-dichlorophenoxy)propionate","6-methylheptyl 2-(2,4-dichlorophenoxy)propanoate",CC(C)CCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,CC(C)CCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C17H24Cl2O3/c1-12(2)7-5-4-6-10-21-17(20)13(3)22-16-9-8-14(18)11-15(16)19/h8-9,11-13H,4-7,10H2,1-3H3",C17H24Cl2O3,,,,,,OAKNYWMOJIXXDI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.640,249-120-7,28645-51-4,Oxacycloheptadec-10-en-2-one,oxacycloheptadec-10-en-2-one,O=C1CCCCCCC\\C=C/CCCCCCO1,O=C1CCCCCCC\C=C/CCCCCCO1,"InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2",C16H28O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16691,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.640,QILMAYXCYBTEDM-IWQZZHSRSA-N,,,,,,,,,,,
100.018.602,220-461-3,8/11/2770,2-(4-chlorophenoxy)aniline,2-(4-chlorophenoxy)aniline,Nc1ccccc1Oc2ccc(Cl)cc2,Nc1ccccc1Oc2ccc(Cl)cc2,"InChI=1/C12H10ClNO/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2",C12H10ClNO,,,,,,QKKBREBZMUFUDS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.605,220-465-5,2770-93-6,2-(2-pyridyl)isothiourea N-oxide hydrochloride,1-(oxidoamino)-1-(pyridin-2-ylsulfanyl)methanimine hydrochloride,Cl.[O-][NH2+]C(=N)Sc1ccccn1,Cl.[O-][NH2+]C(=N)Sc1ccccn1,"InChI=1/C6H7N3OS.ClH/c7-6(9-10)11-5-3-1-2-4-8-5;/h1-4,7H,9H2;1H",C6H7N3OS.ClH,,,,,,IAKAVJOAOWGKJV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.610,220-470-2,2777-58-4,Methyl (Z)-octadec-6-enoate,methyl octadec-6-enoate,CCCCCCCCCCC\\C=C/CCCCC(=O)OC,CCCCCCCCCCC\C=C/CCCCC(=O)OC,"InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3",C19H36O2,,,,,,QRTVDKVXAFJVRU-YPKPFQOOSA-N,,,,,,,,,,,
100.018.611,220-471-8,2777-65-3,Undec-10-ynoic acid,undec-10-ynoic acid,OC(=O)CCCCCCCCC#C,OC(=O)CCCCCCCCC#C,"InChI=1/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)",C11H18O2,,,,,,OAOUTNMJEFWJPO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.612,220-472-3,3/04/2778,Endothion,"S-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl] O,O-dimethyl thiophosphate",COC1=COC(=CC1=O)CSP(=O)(OC)OC,COC1=COC(=CC1=O)CSP(=O)(OC)OC,"InChI=1/C9H13O6PS/c1-12-9-5-15-7(4-8(9)10)6-17-16(11,13-2)14-3/h4-5H,6H2,1-3H3",C9H13O6PS,,,,,,YCAGGFXSFQFVQL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.614,220-474-4,2778-42-9,"1,3-bis(1-isocyanato-1-methylethyl)benzene","1,3-bis(1-isocyanato-1-methylethyl)benzene",CC(C)(N=C=O)c1cccc(c1)C(C)(C)N=C=O,CC(C)(N=C=O)c1cccc(c1)C(C)(C)N=C=O,"InChI=1/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3",C14H16N2O2,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1844,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.614,AZYRZNIYJDKRHO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.127,222-138-2,3368-21-6,p-isopropylcinnamic acid,3-(4-isopropylphenyl)acrylic acid,CC(C)c1ccc(\\C=C\\C(=O)O)cc1,CC(C)c1ccc(\C=C\C(=O)O)cc1,"InChI=1/C12H14O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-9H,1-2H3,(H,13,14)",C12H14O2,,,,,,SJDOOXOUSJDYFE-VMPITWQZSA-N,,,,,,,,,,,
100.020.132,222-144-5,3369-76-4,Ethyl 3-[(diethoxymethylsilyl)oxy]-2-butenoate,ethyl 3-{[diethoxy(methyl)silyl]oxy}but-2-enoate,CCO[Si](C)(OCC)OC(C)=CC(=O)OCC,CCO[Si](C)(OCC)OC(C)=CC(=O)OCC,"InChI=1/C11H22O5Si/c1-6-13-11(12)9-10(4)16-17(5,14-7-2)15-8-3/h9H,6-8H2,1-5H3",C11H22O5Si,,,,,,CVYZQFKHZWFVKA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.129,218-840-3,2249-28-7,"4-(a,a,a-trifluoro-m-tolyl)piperidin-4-ol",4-[3-(trifluoromethyl)phenyl]piperidin-4-ol,OC1(CCNCC1)c2cccc(c2)C(F)(F)F,OC1(CCNCC1)c2cccc(c2)C(F)(F)F,"InChI=1/C12H14F3NO/c13-12(14,15)10-3-1-2-9(8-10)11(17)4-6-16-7-5-11/h1-3,8,16-17H,4-7H2",C12H14F3NO,,,,,,ILKPZCKFWLTEBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.137,218-849-2,2253-52-3,"O,O-diisobutyl hydrogen dithiophosphate","O,O-diisobutyl hydrogen dithiophosphate",CC(C)COP(=S)(S)OCC(C)C,CC(C)COP(=S)(S)OCC(C)C,"InChI=1/C8H19O2PS2/c1-7(2)5-9-11(12,13)10-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)",C8H19O2PS2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11647,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.137,SYFIMIPHNTZHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.138,218-850-8,2253-57-8,"O,O-dioctyl hydrogen dithiophosphate","O,O-dioctyl hydrogen dithiophosphate",CCCCCCCCOP(=S)(S)OCCCCCCCC,CCCCCCCCOP(=S)(S)OCCCCCCCC,"InChI=1/C16H35O2PS2/c1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,20,21)",C16H35O2PS2,,,,,,ZUNYMXPJGBXUCI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.142,218-855-5,2/09/2257,Phenethyl isothiocyanate,(2-isothiocyanatoethyl)benzene,S=C=NCCc1ccccc1,S=C=NCCc1ccccc1,"InChI=1/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2",C9H9NS,,,,,,IZJDOKYDEWTZSO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.152,218-866-5,2265-64-7,Dexamethasone 21-isonicotinate,"9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl isonicotinate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccncc5,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccncc5,"InChI=1/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3",C28H32FNO6,,,,,,BQTXJHAJMDGOFI-NJLPOHDGSA-N,,,,,,,,,,,
100.017.158,218-872-8,2270-20-4,5-phenylvaleric acid,5-phenylpentanoic acid,OC(=O)CCCCc1ccccc1,OC(=O)CCCCc1ccccc1,"InChI=1/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)",C11H14O2,,,,,,BYHDDXPKOZIZRV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.159,218-873-3,2270-40-8,"12,13-epoxytrichothec-9-ene-3a,4ß,15-triol 4,15-diacetate","3-hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate",CC(=O)OC[C@]12CCC(=C[C@H]1O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@]34CO4)C,CC(=O)OC[C@]12CCC(=C[C@H]1O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@]34CO4)C,"InChI=1/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3",C19H26O7,,,,,,AUGQEEXBDZWUJY-NMAPUUFXSA-N,,,,,,,,,,,
100.017.162,218-877-5,2271-93-4,"N,N'-hexane-1,6-diylbis(aziridine-1-carboxamide)","N,N'-hexane-1,6-diyldiaziridine-1-carboxamide",O=C(NCCCCCCNC(=O)N1CC1)N2CC2,O=C(NCCCCCCNC(=O)N1CC1)N2CC2,"InChI=1/C12H22N4O2/c17-11(15-7-8-15)13-5-3-1-2-4-6-14-12(18)16-9-10-16/h1-10H2,(H,13,17)(H,14,18)",C12H22N4O2,,,,,,YVOQADGLLJCMOE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.661,249-143-2,28675-72-1,"Barium bis[p-(1,1,3,3-tetramethylbutyl)phenolate]","barium bis[4-(1,1,3,3-tetramethylbutyl)phenolate]",[Ba+2].CC(C)(C)CC(C)(C)c1ccc([O-])cc1.CC(C)(C)CC(C)(C)c2ccc([O-])cc2,[Ba+2].CC(C)(C)CC(C)(C)c1ccc([O-])cc1.CC(C)(C)CC(C)(C)c2ccc([O-])cc2,"InChI=1/2C14H22O.Ba/c2*1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;/h2*6-9,15H,10H2,1-5H3;/q;;+2/p-2",C14H22O.1/2Ba,,,,,,BJCPMGPOFKXSML-UHFFFAOYSA-L,,,,,,,,,,,
100.044.662,249-144-8,28675-80-1,Isooctyl methacrylate,6-methylheptyl methacrylate,CC(C)CCCCCOC(=O)C(=C)C,CC(C)CCCCCOC(=O)C(=C)C,"InChI=1/C12H22O2/c1-10(2)8-6-5-7-9-14-12(13)11(3)4/h10H,3,5-9H2,1-2,4H3",C12H22O2,,,,,,NQSLZEHVGKWKAY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.667,249-150-0,28679-14-3,Didodecylbenzenesulphonic acid,"2,3-didodecylbenzenesulfonic acid",CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)O,CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)O,"InChI=1/C30H54O3S/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2/h23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33)",C30H54O3S,,,,,,IRXPXBIZOBAGTM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.673,249-156-3,28685-18-9,"Tetradecylammonium (o,p-dichlorophenoxy)acetate","tetradecan-1-aminium (2,4-dichlorophenoxy)acetate",CCCCCCCCCCCCCC[NH3+].[O-]C(=O)COc1ccc(Cl)cc1Cl,CCCCCCCCCCCCCC[NH3+].[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C14H31N.C8H6Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h2-15H2,1H3;1-3H,4H2,(H,11,12)",C14H31N.C8H6Cl2O3,,,,,,DLDBIAPNKRBPRS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.679,249-163-1,28693-00-7,Bicyclo[2.2.1]hept-5-en-2-ylmethyl chloroacetate,bicyclo[2.2.1]hept-5-en-2-ylmethyl chloroacetate,ClCC(=O)OCC1CC2CC1C=C2,ClCC(=O)OCC1CC2CC1C=C2,"InChI=1/C10H13ClO2/c11-5-10(12)13-6-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2",C10H13ClO2,,,,,,YEQPPBCBKNMCKW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.691,249-176-2,28711-04-8,Butyl 2-cyano-3-(4-methoxyphenyl)-2-butenoate,butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate,COc1ccc(cc1)C(C)=C(C#N)C(=O)OCCCC,COc1ccc(cc1)C(C)=C(C#N)C(=O)OCCCC,"InChI=1/C16H19NO3/c1-4-5-10-20-16(18)15(11-17)12(2)13-6-8-14(19-3)9-7-13/h6-9H,4-5,10H2,1-3H3",C16H19NO3,,,,,,NKBHDHWFTJYJSK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.385,224-622-9,4430-25-5,"4,4'-(4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromophenol] S,S-dioxide","4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromophenol)",Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4cc(Br)c(O)c(Br)c4,Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4cc(Br)c(O)c(Br)c4,"InChI=1/C19H6Br8O5S/c20-7-1-5(2-8(21)16(7)28)19(6-3-9(22)17(29)10(23)4-6)11-12(24)13(25)14(26)15(27)18(11)33(30,31)32-19/h1-4,28-29H",C19H6Br8O5S,,,,,,QPMIVFWZGPTDPN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.386,224-623-4,4430-31-3,Octahydro-2H-1-benzopyran-2-one,octahydro-2H-chromen-2-one,O=C1CCC2CCCCC2O1,O=C1CCC2CCCCC2O1,"InChI=1/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2",C9H14O2,,,,,,MSFLYJIWLHSQLG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.396,224-634-4,4433-36-7,"6,10-dimethylundec-9-en-2-one","6,10-dimethylundec-9-en-2-one",CC(CCCC(=O)C)CCC=C(C)C,CC(CCCC(=O)C)CCC=C(C)C,"InChI=1/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3",C13H24O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16901,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.396,LGVYUZVANMHKHV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.397,224-636-5,4433-40-3,5-(hydroxymethyl)uracil,"5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione",OCC1=CNC(=O)NC1=O,OCC1=CNC(=O)NC1=O,"InChI=1/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)",C5H6N2O3,,,,,,JDBGXEHEIRGOBU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.401,224-640-7,4434-61-1,N-benzyloxycarbonyl-DL-methionine,N-[(benzyloxy)carbonyl]methionine,OC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1,OC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1,"InChI=1/C13H17NO4S/c1-19-8-7-11(12(15)16)14-13(17)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16)",C13H17NO4S,,,,,,FPKHNNQXKZMOJJ-NSHDSACASA-N,,,,,,,,,,,
100.022.403,224-642-8,4435-18-1,Cyclohexylideneacetonitrile,cyclohexylideneacetonitrile,N#CC=C1CCCCC1,N#CC=C1CCCCC1,"InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5H2",C8H11N,,,,,,VLRQRRQHXZCEDL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.404,224-643-3,4435-50-1,"Butane-1,2,3-triol","butane-1,2,3-triol",CC(O)C(O)CO,CC(O)C(O)CO,"InChI=1/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3",C4H10O3,,,,,,YAXKTBLXMTYWDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.406,224-645-4,4436-27-5,"1-iodo-2,4,6-trinitrobenzene","2-iodo-1,3,5-trinitrobenzene",[O-][N+](=O)c1cc(c(I)c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(I)c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C6H2IN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,C6H2IN3O6,,,,,,ZECBCPLUOMIFAA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.410,224-650-1,4437-50-7,"3-methylhexane-2,5-dione","3-methylhexane-2,5-dione",CC(CC(=O)C)C(=O)C,CC(CC(=O)C)C(=O)C,"InChI=1/C7H12O2/c1-5(7(3)9)4-6(2)8/h5H,4H2,1-3H3",C7H12O2,,,,,,NLLILAUVOOREKR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.412,224-652-2,4437-69-8,"4,4-dimethyl-1,3-dioxolan-2-one","4,4-dimethyl-1,3-dioxolan-2-one",CC1(C)COC(=O)O1,CC1(C)COC(=O)O1,"InChI=1/C5H8O3/c1-5(2)3-7-4(6)8-5/h3H2,1-2H3",C5H8O3,,,,,,PUEFXLJYTSRTGI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.415,224-655-9,5/02/4439,"3,4-(methylenedioxy)phenylacetonitrile","1,3-benzodioxol-5-ylacetonitrile",N#CCc1ccc2OCOc2c1,N#CCc1ccc2OCOc2c1,"InChI=1/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2",C9H7NO2,,,,,,ZQPBOYASBNAXOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.585,249-060-1,28510-23-8,"2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate","2,2-dimethylpropane-1,3-diyl bis(2-ethylhexanoate)",CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC,"InChI=1/C21H40O4/c1-7-11-13-17(9-3)19(22)24-15-21(5,6)16-25-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3",C21H40O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5961,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.585,GORMSINSWZJIKL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.586,249-061-7,28510-45-4,"1-(2,4-xylyl)biguanide","N-(2,4-dimethylphenyl)imidodicarbonimidic diamide",Cc1ccc(NC(=N)NC(=N)N)c(C)c1,Cc1ccc(NC(=N)NC(=N)N)c(C)c1,"InChI=1/C10H15N5/c1-6-3-4-8(7(2)5-6)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)",C10H15N5,,,,,,NEOMBHNYODRTQG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.587,249-062-2,28515-57-3,Methylenedinaphthalene,"1,1'-methylenedinaphthalene",C(c1cccc2ccccc12)c3cccc4ccccc34,C(c1cccc2ccccc12)c3cccc4ccccc34,"InChI=1/C21H16/c1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19/h1-14H,15H2",C21H16,,,,,,ZMESHQOXZMOOQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.588,249-063-8,28519-02-0,Disodium dodecyl(sulphonatophenoxy)benzenesulphonate,disodium 2-dodecyl-3-(2-sulfonatophenoxy)benzenesulfonate,[Na+].[Na+].CCCCCCCCCCCCc1c(Oc2ccccc2S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCc1c(Oc2ccccc2S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],"InChI=1/C24H34O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-15-20-21(17-14-19-23(20)32(25,26)27)31-22-16-12-13-18-24(22)33(28,29)30;;/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C24H34O7S2.2Na,,,,,,HUHBEJNFURMZLH-UHFFFAOYSA-L,,,,,,,,,,,
100.044.589,249-064-3,28519-04-2,p-cresolsulphonic acid,2-hydroxy-5-methylbenzenesulfonic acid,Cc1ccc(O)c(c1)S(=O)(=O)O,Cc1ccc(O)c(c1)S(=O)(=O)O,"InChI=1/C7H8O4S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)",C7H8O4S,,,,,,AXZKCQSGDARVRL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.590,249-065-9,28519-50-8,Potassium toluene-p-thiosulphonate,potassium 4-methylbenzenesulfonothioate,[K+].Cc1ccc(cc1)S(=O)(=O)[S-],[K+].Cc1ccc(cc1)S(=O)(=O)[S-],"InChI=1/C7H8O2S2.K/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",C7H8O2S2.K,,,,,,RUDNWZFWWJFUSF-UHFFFAOYSA-M,,,,,,,,,,,
100.022.013,224-214-0,4251-16-5,Propyl thiocyanate,propyl thiocyanate,CCCSC#N,CCCSC#N,"InChI=1/C4H7NS/c1-2-3-6-4-5/h2-3H2,1H3",C4H7NS,,,,,,VDQRHYCVPYJPHU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.016,224-217-7,4251-29-0,Potassium hydrogen diacetate,potassium hydrogen diacetate,[K+].CC(=O)[O-].CC(=O)[O-],[K+].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.K/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-2",C2H4O2.1/2K,,,,,,FHUOTRMCFQTSOA-UHFFFAOYSA-L,,,,,,,,,,,
100.022.026,224-228-7,4253-99-0,"1,1'-sulphonylbispentane","1,1'-sulfonyldipentane",CCCCCS(=O)(=O)CCCCC,CCCCCS(=O)(=O)CCCCC,"InChI=1/C10H22O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3",C10H22O2S,,,,,,NLUGCAKOZAODBF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.036,224-239-7,4261-70-5,"N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine","N~2~-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine",COCNc1nc(N)nc(N)n1,COCNc1nc(N)nc(N)n1,"InChI=1/C5H10N6O/c1-12-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H5,6,7,8,9,10,11)",C5H10N6O,,,,,,KFVIYKFKUYBKTP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.037,224-240-2,4261-72-7,1-[[(1-oxooctadecyl)amino]methyl]pyridinium chloride,1-[(stearoylamino)methyl]pyridinium chloride,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NC[n+]1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NC[n+]1ccccc1,"InChI=1/C24H42N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-24(27)25-23-26-21-18-16-19-22-26;/h16,18-19,21-22H,2-15,17,20,23H2,1H3;1H",C24H43N2O.Cl,,,,,,XAVCZNYPFYJSJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.039,224-242-3,4262-61-7,(isopropylidene)bis[tert-butyl] peroxide,"2,2'-(propane-2,2-diyldidioxy)bis(2-methylpropane)",CC(C)(C)OOC(C)(C)OOC(C)(C)C,CC(C)(C)OOC(C)(C)OOC(C)(C)C,"InChI=1/C11H24O4/c1-9(2,3)12-14-11(7,8)15-13-10(4,5)6/h1-8H3",C11H24O4,,,,,,QSFTWOJPCWPORR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.050,224-254-9,4268-36-4,Tybamate,2-[(carbamoyloxy)methyl]-2-methylpentyl butylcarbamate (non-preferred name),CCCCNC(=O)OCC(C)(CCC)COC(=O)N,CCCCNC(=O)OCC(C)(CCC)COC(=O)N,"InChI=1/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)",C13H26N2O4,,,,,,PRBORDFJHHAISJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.057,224-262-2,4271-96-9,"1,4,5,6-tetrahydro-1,2-dimethylpyrimidine","1,2-dimethyl-1,4,5,6-tetrahydropyrimidine",CN1CCCN=C1C,CN1CCCN=C1C,"InChI=1/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3",C6H12N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17760,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.057,ZFDWWDZLRKHULH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.311,221-240-4,3038-48-0,2-(trifluoromethyl)phenylacetic acid,[2-(trifluoromethyl)phenyl]acetic acid,OC(=O)Cc1ccccc1C(F)(F)F,OC(=O)Cc1ccccc1C(F)(F)F,"InChI=1/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)",C9H7F3O2,,,,,,TYOCDHCKTWANIR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.312,221-242-5,3039-83-6,Sodium ethylenesulphonate,sodium ethenesulfonate,[Na+].[O-]S(=O)(=O)C=C,[Na+].[O-]S(=O)(=O)C=C,"InChI=1/C2H4O3S.Na/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1",C2H4O3S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5927,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.312,BWYYYTVSBPRQCN-UHFFFAOYSA-M,,,,,,,,,,,
100.044.641,249-121-2,28652-08-6,Trinonylphenol,"2,3,4-trinonylphenol",CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1CCCCCCCCC,CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1CCCCCCCCC,"InChI=1/C33H60O/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2/h28-29,34H,4-27H2,1-3H3",C33H60O,,,,,,RBPAPQWTNWGCGO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.836,222-919-8,3663-44-3,3-(dimethoxymethylsilyl)propylamine,3-[dimethoxy(methyl)silyl]propan-1-amine,CO[Si](C)(CCCN)OC,CO[Si](C)(CCCN)OC,"InChI=1/C6H17NO2Si/c1-8-10(3,9-2)6-4-5-7/h4-7H2,1-3H3",C6H17NO2Si,,,,,,ZYAASQNKCWTPKI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.837,222-920-3,3663-50-1,"1,1,3,3,5,5-hexamethyltrisiloxane-1,5-diol","1,1,3,3,5,5-hexamethyltrisiloxane-1,5-diol",C[Si](C)(O)O[Si](C)(C)O[Si](C)(C)O,C[Si](C)(O)O[Si](C)(C)O[Si](C)(C)O,"InChI=1/C6H20O4Si3/c1-11(2,7)9-13(5,6)10-12(3,4)8/h7-8H,1-6H3",C6H20O4Si3,,,,,,XYBQTTAROZGWOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.851,222-936-0,7/08/3671,Chlortetracycline hydrochloride,"7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride",Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O,Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O,"InChI=1/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H",C22H23ClN2O8.xClH,,,,,,CBHYYLPALVVVEY-MRFRVZCGSA-N,,,,,,,,,,,
100.020.859,222-944-4,3675-63-6,Bromoethane-[2H5],bromoethane,CCBr,CCBr,"InChI=1/C2H5Br/c1-2-3/h2H2,1H3",C2BrD5,,,,,,RDHPKYGYEGBMSE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.873,222-960-1,3681-71-8,(Z)-hex-3-enyl acetate,hex-3-en-1-yl acetate,CC\\C=C/CCOC(=O)C,CC\C=C/CCOC(=O)C,"InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",C8H14O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12829,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.873,NPFVOOAXDOBMCE-PLNGDYQASA-N,,,,,,,,,,,
100.022.377,224-614-5,4428-13-1,"1,1,2-triphenylethanol","1,1,2-triphenylethanol",OC(Cc1ccccc1)(c2ccccc2)c3ccccc3,OC(Cc1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H18O/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15,21H,16H2",C20H18O,,,,,,QMPKJVBRCQVFLL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.378,224-615-0,4429-63-4,"Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, (5a,12ß,19a)-","methyl 2,3,6,7-tetradehydroaspidospermidine-3-carboxylate",CC[C@@]12CC(=C3Nc4ccccc4[C@]35CCN(CC=C1)[C@@H]25)C(=O)OC,CC[C@@]12CC(=C3Nc4ccccc4[C@]35CCN(CC=C1)[C@@H]25)C(=O)OC,"InChI=1/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3",C21H24N2O2,,,,,,FNGGIPWAZSFKCN-PCCBWWKXSA-N,,,,,,,,,,,
100.022.380,224-617-1,4430-16-4,"Disodium 2,2'-(5,8-dihydroxy-9,10-dioxoanthracene-1,4-diyldiimino)bis(5-methylbenzenesulphonate","disodium 2,2'-[(5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]bis(5-methylbenzenesulfonate)",Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)O[Na])c4C(=O)c5c(O)ccc(O)c5C(=O)c24)c(c1)S(=O)(=O)O[Na],Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)O[Na])c4C(=O)c5c(O)ccc(O)c5C(=O)c24)c(c1)S(=O)(=O)O[Na],"InChI=1/C28H22N2O10S2.2Na/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-8-18(30-16-6-4-14(2)12-22(16)42(38,39)40)24-23(17)27(33)25-19(31)9-10-20(32)26(25)28(24)34;;/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/rC28H20N2Na2O10S2/c1-13-3-5-15(21(11-13)43(37,38)41-31)29-17-7-8-18(30-16-6-4-14(2)12-22(16)44(39,40)42-32)24-23(17)27(35)25-19(33)9-10-20(34)26(25)28(24)36/h3-12,29-30,33-34H,1-2H3",C28H22N2O10S2.2Na,,,,,,LERIXBKRKBHLHG-UHFFFAOYSA-L,,,,,,,,,,,
100.022.382,224-619-2,4430-20-0,"4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-chlorophenol] S,S-dioxide","4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-chlorophenol)",Oc1ccc(cc1Cl)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(Cl)c4,Oc1ccc(cc1Cl)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(Cl)c4,"InChI=1/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H",C19H12Cl2O5S,,,,,,WWAABJGNHFGXSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.134,216-646-3,1633-82-5,3-chloropropanesulphonyl chloride,3-chloropropane-1-sulfonyl chloride,ClCCCS(=O)(=O)Cl,ClCCCS(=O)(=O)Cl,"InChI=1/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2",C3H6Cl2O2S,,,,,,GPKDGVXBXQTHRY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.135,216-647-9,1633-83-6,1(4)-butanesultone,"1,2-oxathiane 2,2-dioxide",O=S1(=O)CCCCO1,O=S1(=O)CCCCO1,InChI=1/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2,C4H8O3S,,,,,,MHYFEEDKONKGEB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.136,216-648-4,1633-84-7,4-chlorobutane-1-sulphonyl chloride,4-chlorobutane-1-sulfonyl chloride,ClCCCCS(=O)(=O)Cl,ClCCCCS(=O)(=O)Cl,"InChI=1/C4H8Cl2O2S/c5-3-1-2-4-9(6,7)8/h1-4H2",C4H8Cl2O2S,,,,,,YDSCNYYRPIFOJD-UHFFFAOYSA-N,,,,,,,,,,,
100.015.139,216-652-6,1634-02-2,Tetrabutylthioperoxydicarbamic acid,"1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetrabutane",CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC,CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC,"InChI=1/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C18H36N2S4,,,,,,PGAXJQVAHDTGBB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.163,218-878-0,9/11/2272,Monoethanolamine oleate,octadec-9-enoic acid - 2-aminoethanol (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.NCCO,CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCO,"InChI=1/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2",C18H34O2.C2H7NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11015,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.163,KGWDUNBJIMUFAP-KVVVOXFISA-N,,,,,,,,,,,
100.017.164,218-879-6,2272-45-9,N-benzylidene-p-toluidine,N-benzylidene-4-methylaniline,Cc2ccc(N=Cc1ccccc1)cc2,Cc2ccc(N=Cc1ccccc1)cc2,"InChI=1/C14H13N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-11H,1H3",C14H13N,,,,,,MSFVFFZPHJPOHP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.165,218-880-1,2273-43-0,Butylhydroxyoxostannane,butyl(oxo)stannanol,CCCC[Sn](=O)O,CCCC[Sn](=O)O,"InChI=1/C4H9.H2O.O.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;1H2;;/q;;;+1/p-1/rC4H10O2Sn/c1-2-3-4-7(5)6/h5H,2-4H2,1H3",C4H10O2Sn,,,,,,WIHMDCQAEONXND-UHFFFAOYSA-M,,,,,,,,,,,
100.017.166,218-881-7,2273-45-2,Dimethyloxostannane,dimethyl(oxo)stannane,C[Sn](=O)C,C[Sn](=O)C,InChI=1/2CH3.O.Sn/h2*1H3;;/rC2H6OSn/c1-4(2)3/h1-2H3,C2H6OSn,,,,,,WNVQCJNZEDLILP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.170,218-885-9,3/01/2274,N-carbamoyl-2-ethylbutyraldehyde,N-carbamoyl-2-ethylbutanamide,CCC(CC)C(=O)NC(=O)N,CCC(CC)C(=O)NC(=O)N,"InChI=1/C7H14N2O2/c1-3-5(4-2)6(10)9-7(8)11/h5H,3-4H2,1-2H3,(H3,8,9,10,11)",C7H14N2O2,,,,,,JIOUJVPLJOQUFD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.173,218-889-0,2274-58-0,"N2,N5-dibenzyloxycarbonyl-L-ornithine","N~2~,N~5~-bis[(benzyloxy)carbonyl]ornithine",OC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C21H24N2O6/c24-19(25)18(23-21(27)29-15-17-10-5-2-6-11-17)12-7-13-22-20(26)28-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,22,26)(H,23,27)(H,24,25)",C21H24N2O6,,,,,,VBENHRFIEOLOJJ-SFHVURJKSA-N,,,,,,,,,,,
100.017.174,218-890-6,2274-66-0,"2,2-dichloro-1-(2,4-dichlorophenyl)ethan-1-one","2,2-dichloro-1-(2,4-dichlorophenyl)ethanone",ClC(Cl)C(=O)c1ccc(Cl)cc1Cl,ClC(Cl)C(=O)c1ccc(Cl)cc1Cl,"InChI=1/C8H4Cl4O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,8H",C8H4Cl4O,,,,,,LRXWJPURTZCTEH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.845,224-029-5,4170-24-5,2-chlorobutyric acid,2-chlorobutanoic acid,CCC(Cl)C(=O)O,CCC(Cl)C(=O)O,"InChI=1/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)",C4H7ClO2,,,,,,RVBUZBPJAGZHSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.847,224-031-6,4170-50-7,"Trichloro(1,2-dibromoethyl)silane","trichloro(1,2-dibromoethyl)silane",Cl[Si](Cl)(Cl)C(Br)CBr,Cl[Si](Cl)(Cl)C(Br)CBr,"InChI=1/C2H3Br2Cl3Si/c3-1-2(4)8(5,6)7/h2H,1H2",C2H3Br2Cl3Si,,,,,,LHCWILZPIFWPAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.848,224-032-1,4170-90-5,"2,4,6-trimethylbenzylic alcohol",mesitylmethanol,Cc1cc(C)c(CO)c(C)c1,Cc1cc(C)c(CO)c(C)c1,"InChI=1/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3",C10H14O,,,,,,LODDFDHPSIYCTK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.852,224-036-3,4173-44-8,"6-phenylhexa-3,5-dien-2-one","6-phenylhexa-3,5-dien-2-one",CC(=O)C=CC=Cc1ccccc1,CC(=O)C=CC=Cc1ccccc1,"InChI=1/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3",C12H12O,,,,,,PRNUCJKOERXADE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.854,224-038-4,5/03/4175,3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium iodide monohydroiodide,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium iodide hydroiodide",I.[I-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,I.[I-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,"InChI=1/C12H17N4OS.2HI/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1",C12H17N4OS.HI.I,,,,,,ZQVGYEFKXIDVRT-UHFFFAOYSA-M,,,,,,,,,,,
100.021.857,224-042-6,6/01/4176,"[1R-(1a,4ß,6ß)]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",CC1CC2C(CC1=O)C2(C)C,CC1CC2C(CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,ABSCYWMYRVUUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.861,224-046-8,4177-31-5,"5,10-dihydro-5-methyl-1,3-dinitro-phenazine","5-methyl-1,3-dinitro-5,10-dihydrophenazine",CN1c2ccccc2Nc3c1cc(cc3[N+](=O)[O-])[N+](=O)[O-],CN1c2ccccc2Nc3c1cc(cc3[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C13H10N4O4/c1-15-10-5-3-2-4-9(10)14-13-11(15)6-8(16(18)19)7-12(13)17(20)21/h2-7,14H,1H3",C13H10N4O4,,,,,,QGTMHWYBTRQYRV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.866,224-052-0,4180-23-8,(E)-anethole,1-methoxy-4-prop-1-en-1-ylbenzene,COc1ccc(\\C=C\\C)cc1,COc1ccc(\C=C\C)cc1,"InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",C10H12O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13872,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.866,RUVINXPYWBROJD-ONEGZZNKSA-N,,,,,,,,,,,
100.021.872,224-058-3,4184-79-6,"5,6-dimethyl-1H-benzotriazole","5,6-dimethyl-1H-benzotriazole",Cc1cc2nn[nH]c2cc1C,Cc1cc2nn[nH]c2cc1C,"InChI=1/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)",C8H9N3,,,,,,MVPKIPGHRNIOPT-UHFFFAOYSA-N,Positive,AU405406;ETS00120,[M+H]+;[M+H]+,CIDRAMP 16.1-24.2;HCDscaled 80 (m/z=200) to 110 (m/z=120),148.0862:93.0691:149.0891;91.0536:148.0865:93.0692,Athens_Univ;Eawag_Additional_Specs2,,,,,
100.021.873,224-059-9,4185-69-7,"1-(2,4-dinitrophenyl)pyridinium chloride","1-(2,4-dinitrophenyl)pyridinium chloride",[Cl-].[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])[n+]2ccccc2,[Cl-].[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])[n+]2ccccc2,InChI=1/C11H8N3O4.ClH/c15-13(16)9-4-5-10(11(8-9)14(17)18)12-6-2-1-3-7-12;/h1-8H;1H/q+1;/p-1,C11H8N3O4.Cl,,,,,,UYHMQTNGMUDVIY-UHFFFAOYSA-M,,,,,,,,,,,
100.022.417,224-658-5,4439-24-1,2-(2-methylpropoxy)ethanol,2-isobutoxyethanol,CC(C)COCCO,CC(C)COCCO,"InChI=1/C6H14O2/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3",C6H14O2,,,,,,HHAPGMVKBLELOE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.430,224-672-1,4442-79-9,Cyclohexylethanol,2-cyclohexylethanol,OCCC1CCCCC1,OCCC1CCCCC1,"InChI=1/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2",C8H16O,,,,,,QJQZRLXDLORINA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.432,224-674-2,4442-90-4,"Cyclohexane-<U+0394>1,ß-ethylamine",2-cyclohexylideneethanamine,NCC=C1CCCCC1,NCC=C1CCCCC1,"InChI=1/C8H15N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5,7,9H2",C8H15N,,,,,,ZUHPVZOOSWSQDR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.065,222-070-3,3336-26-3,3-bromo-4-hydroxy-5-iodobenzonitrile,3-bromo-4-hydroxy-5-iodobenzonitrile,Oc1c(Br)cc(cc1I)C#N,Oc1c(Br)cc(cc1I)C#N,"InChI=1/C7H3BrINO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",C7H3BrINO,,,,,,WLQYCVYQRFCPSX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.069,222-075-0,3337-62-0,"3,5-dibromo-4-hydroxybenzoic acid","3,5-dibromo-4-hydroxybenzoic acid",OC(=O)c1cc(Br)c(O)c(Br)c1,OC(=O)c1cc(Br)c(O)c(Br)c1,"InChI=1/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)",C7H4Br2O3,,,,,,PHWAJJWKNLWZGJ-UHFFFAOYSA-N,Negative,,,,,,EA080451|EA080452|EA080453|EA080454|EA080455|EA080456|EA080457|EA080458|EA080459|EA080460|EA080461|EA080462|EA080463|EA080464,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,248.8555|292.8451:248.8558|292.8452:248.8555:78.9189|248.8552:78.9187:292.845|78.9189:248.8557|78.9188:248.8562|78.9188|292.845:248.8565|292.845:248.8552:78.9188|248.8554:78.9188:292.8449|78.9188:248.8554|78.9188:248.8552:189.8272|78.9189|248.8553,Eawag
100.020.071,222-077-1,3337-71-1,Asulam,methyl [(4-aminophenyl)sulfonyl]carbamate,COC(=O)NS(=O)(=O)c1ccc(N)cc1,COC(=O)NS(=O)(=O)c1ccc(N)cc1,"InChI=1/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O4S,,,,,,VGPYEHKOIGNJKV-UHFFFAOYSA-N,Positive/Negative,EA015601|EA015602|EA015603|EA015604|EA015605|EA015606|EA015607|EA015608|EA015609|EA015610|EA015611|EA015612|EA015613|EA015614,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,156.0114:188.0375:108.0443|156.0114:231.0433:108.0443|156.0113:108.0443:92.0494|108.0444:156.0114:92.0495|108.0443:92.0495:65.0385|92.0495:108.0443:65.0385|92.0495:65.0386:108.0444|156.0114:231.0433:108.0444|156.0115:108.0444:92.0495|108.0443:156.0114:92.0494|108.0444:92.0495:65.0385|92.0494:108.0443:65.0385|92.0495:65.0386:108.0444|156.0114:188.0375:108.0443,Eawag,EA015651|EA015652|EA015653|EA015654|EA015655|EA015658|EA015659|EA015660|EA015661|EA015664,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD15|HCD30|HCD45|HCD60|CID35,197.0029:133.0408|229.0288|229.0289:197.0026:133.0402|197.0026:229.0289:133.0412|197.0024|229.0288|229.0287:197.0024:133.0403|197.0026:229.0286|197.002|197.0027:133.0405,Eawag
100.020.083,222-090-2,3343-80-4,2-ethylbenzofuran-3-yl p-methoxyphenyl ketone,(2-ethyl-1-benzofuran-3-yl)(4-methoxyphenyl)methanone,CCc1oc2ccccc2c1C(=O)c3ccc(OC)cc3,CCc1oc2ccccc2c1C(=O)c3ccc(OC)cc3,"InChI=1/C18H16O3/c1-3-15-17(14-6-4-5-7-16(14)21-15)18(19)12-8-10-13(20-2)11-9-12/h4-11H,3H2,1-2H3",C18H16O3,,,,,,TTXQKBMNVDJBPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.084,222-091-8,3343-88-2,Sodium hydrogen glutarate,hydrogen sodium glutarate,[Na+].[O-]C(=O)CCCC(=O)[O-],[Na+].[O-]C(=O)CCCC(=O)[O-],"InChI=1/C5H8O4.Na/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);/q;+1/p-2",C5H8O4.Na,,,,,,KRMPAXDXQYLVTA-UHFFFAOYSA-L,,,,,,,,,,,
100.020.096,222-104-7,3349-38-0,Dibutylbis(octyloxy)stannane,dibutyl[bis(octyloxy)]stannane,CCCCCCCCO[Sn](CCCC)(CCCC)OCCCCCCCC,CCCCCCCCO[Sn](CCCC)(CCCC)OCCCCCCCC,"InChI=1/2C8H17O.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9;2*1-3-4-2;/h2*2-8H2,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2/rC24H52O2Sn/c1-5-9-13-15-17-19-21-25-27(23-11-7-3,24-12-8-4)26-22-20-18-16-14-10-6-2/h5-24H2,1-4H3",C24H52O2Sn,,,,,,UDXJOSPXJCRUGX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.097,222-105-2,3349-63-1,"1,3-dihydro-2H-inden-2-one oxime","1,3-dihydro-2H-inden-2-one oxime",ON=C1Cc2ccccc2C1,ON=C1Cc2ccccc2C1,"InChI=1/C9H9NO/c11-10-9-5-7-3-1-2-4-8(7)6-9/h1-4,11H,5-6H2",C9H9NO,,,,,,UJLFLOAXKVGYIA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.099,222-107-3,3350-19-4,p-nitrophenyl N-(tert-butoxycarbonyl)-L-leucinate,4-nitrophenyl N-(tert-butoxycarbonyl)leucinate,CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C17H24N2O6/c1-11(2)10-14(18-16(21)25-17(3,4)5)15(20)24-13-8-6-12(7-9-13)19(22)23/h6-9,11,14H,10H2,1-5H3,(H,18,21)",C17H24N2O6,,,,,,HCKZUUZDQIKPEF-AWEZNQCLSA-N,,,,,,,,,,,
100.020.106,222-115-7,3352-23-6,Adenylyl-(3'<U+2192>5')-guanosine,-,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4C(CO)OC(C4O)n5cnc6c(N)ncnc56)C(O)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4C(CO)OC(C4O)n5cnc6c(N)ncnc56)C(O)C3O)C(=O)N1,"InChI=1/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)39-19)41-42(36,37)38-2-7-10(32)11(33)18(40-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)",C20H25N10O11P,,,,,,LWBLDUTUVIXFJE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.108,222-117-8,3352-54-3,Tetrakis(4-biphenylyl)silane,tetrabiphenyl-4-ylsilane,c1ccc(cc1)c2ccc(cc2)[Si](c3ccc(cc3)c4ccccc4)(c5ccc(cc5)c6ccccc6)c7ccc(cc7)c8ccccc8,c1ccc(cc1)c2ccc(cc2)[Si](c3ccc(cc3)c4ccccc4)(c5ccc(cc5)c6ccccc6)c7ccc(cc7)c8ccccc8,"InChI=1/C48H36Si/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40/h1-36H",C48H36Si,,,,,,ABITWCWTLOLPCV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.012,220-912-4,2935-90-2,Methyl 3-mercaptopropionate,methyl 3-sulfanylpropanoate,COC(=O)CCS,COC(=O)CCS,"InChI=1/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3",C4H8O2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1518,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.012,LDTLDBDUBGAEDT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.017,220-918-7,2937-54-4,Thiotaurine,2-aminoethanesulfonothioic S-acid,NCCS(=O)(=O)S,NCCS(=O)(=O)S,"InChI=1/C2H7NO2S2/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)",C2H7NO2S2,,,,,,SHWIJIJNPFXOFS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.018,220-919-2,2937-59-9,"m-xylene-2,a,a'-triol","2,6-bis(hydroxymethyl)phenol",OCc1cccc(CO)c1O,OCc1cccc(CO)c1O,"InChI=1/C8H10O3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3,9-11H,4-5H2",C8H10O3,,,,,,DECTVMOFPJKFOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.315,221-245-1,3040-56-0,Bis(2-chloroethyl) hydrogen phosphate,bis(2-chloroethyl) hydrogen phosphate,OP(=O)(OCCCl)OCCCl,OP(=O)(OCCCl)OCCCl,"InChI=1/C4H9Cl2O4P/c5-1-3-9-11(7,8)10-4-2-6/h1-4H2,(H,7,8)",C4H9Cl2O4P,,,,,,PMGHIGLOERPWGC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.320,221-250-9,3044-42-6,"11ß,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate","11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate",CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C23H28O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7-10,16-17,19,21,26H,4-6,11-12H2,1-3H3",C23H28O5,,,,,,ABGUZAVIFZZDDZ-MHYQPVDNSA-N,,,,,,,,,,,
100.019.337,221-269-2,3051-89-6,"Methyl 4,6-O-benzylidene-2,3-di(O-methyl)-a-D-glucopyranoside","methyl 4,6-O-benzylidene-2,3-di-O-methylhexopyranoside",COC1OC2COC(OC2C(OC)C1OC)c3ccccc3,COC1OC2COC(OC2C(OC)C1OC)c3ccccc3,"InChI=1/C16H22O6/c1-17-13-12-11(21-16(19-3)14(13)18-2)9-20-15(22-12)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3",C16H22O6,,,,,,ZOYHXXDGSUTGIY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.341,221-273-4,1/01/3054,S-benzyl-L-cysteine,S-benzyl-L-cysteine,OC(=O)[C@@H](N)CSCc1ccccc1,OC(=O)[C@@H](N)CSCc1ccccc1,"InChI=1/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",C10H13NO2S,,,,,,GHBAYRBVXCRIHT-VIFPVBQESA-N,,,,,,,,,,,
100.019.344,221-277-6,3055-84-3,"Benzene-1,2,3,4,5,6-hexakis(3-oxypropanenitrile)","3,3',3'',3''',3'''',3'''''-[cyclohexane-1,2,3,4,5,6-hexaylhexakis(oxy)]hexapropanenitrile",N#CCCOC1C(OCCC#N)C(OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N,N#CCCOC1C(OCCC#N)C(OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N,"InChI=1/C24H30N6O6/c25-7-1-13-31-19-20(32-14-2-8-26)22(34-16-4-10-28)24(36-18-6-12-30)23(35-17-5-11-29)21(19)33-15-3-9-27/h19-24H,1-6,13-18H2",C24H30N6O6,,,,,,LMHMIJYIOJVNMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.350,221-283-9,3055-97-8,"3,6,9,12,15,18,21-heptaoxatritriacontanol","3,6,9,12,15,18,21-heptaoxatritriacontan-1-ol",CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3",C26H54O8,,,,,,DWHIUNMOTRUVPG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.356,221-290-7,3056-93-7,"1,3,3-trimethyl-2-[(2-methyl-3H-indol-3-ylidene)ethylidene]indoline monohydrochloride","2-methyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-3H-indole hydrochloride",Cl.C\\C4=N\\c1ccccc1C4=CC=C3N(C)c2ccccc2C3(C)C,Cl.C\C4=N\c1ccccc1C4=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C22H22N2.ClH/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;/h5-14H,1-4H3;1H",C22H22N2.ClH,,,,,,ZOMLUNRKXJYKPD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.358,221-292-8,3057-74-7,4-tert-butyl hydrogen L-aspartate,2-amino-4-tert-butoxy-4-oxobutanoic acid (non-preferred name),CC(C)(C)OC(=O)C[C@H](N)C(=O)O,CC(C)(C)OC(=O)C[C@H](N)C(=O)O,"InChI=1/C8H15NO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4,9H2,1-3H3,(H,11,12)",C8H15NO4,,,,,,MXWMFBYWXMXRPD-YFKPBYRVSA-N,,,,,,,,,,,
100.015.687,217-255-0,1789-58-8,Dichloroethylsilane,dichloro(ethyl)silane,CC[SiH](Cl)Cl,CC[SiH](Cl)Cl,"InChI=1/C2H6Cl2Si/c1-2-5(3)4/h5H,2H2,1H3",C2H6Cl2Si,,,,,,RKHXNBJRDQOIOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.688,217-256-6,1789-84-0,"2,3-dihydro-7-(trifluoromethyl)-4H-1,2,4-benzothiadiazine-4-ethanol 1,1-dioxide","2-[1,1-dioxido-7-(trifluoromethyl)-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]ethanol",OCCN1CNS(=O)(=O)c2cc(ccc12)C(F)(F)F,OCCN1CNS(=O)(=O)c2cc(ccc12)C(F)(F)F,"InChI=1/C10H11F3N2O3S/c11-10(12,13)7-1-2-8-9(5-7)19(17,18)14-6-15(8)3-4-16/h1-2,5,14,16H,3-4,6H2",C10H11F3N2O3S,,,,,,OAPYSZQSGQYCSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.690,217-258-7,1792-17-2,"1,3-dibutylurea","1,3-dibutylurea",CCCCNC(=O)NCCCC,CCCCNC(=O)NCCCC,"InChI=1/C9H20N2O/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)",C9H20N2O,,,,,,AQSQFWLMFCKKMG-UHFFFAOYSA-N,,,,,,,,,,,
100.015.695,217-263-4,1794-75-8,Dodecyl(2-ethoxy-2-oxoethyl)dimethylammonium bromide,"N-(2-ethoxy-2-oxoethyl)-N,N-dimethyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)CC(=O)OCC,[Br-].CCCCCCCCCCCC[N+](C)(C)CC(=O)OCC,"InChI=1/C18H38NO2.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-19(3,4)17-18(20)21-6-2;/h5-17H2,1-4H3;1H/q+1;/p-1",C18H38NO2.Br,,,,,,WRIKFQHHOLTACB-UHFFFAOYSA-M,,,,,,,,,,,
100.015.697,217-266-0,1794-89-4,"9,10,12,13-tetrabromooctadecanoic acid","9,10,12,13-tetrabromooctadecanoic acid",CCCCCC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O,CCCCCC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O,"InChI=1/C18H32Br4O2/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17H,2-13H2,1H3,(H,23,24)",C18H32Br4O2,,,,,,HTORNZPNCYXGMR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.712,217-282-8,1798-09-0,3-methoxyphenylacetic acid,(3-methoxyphenyl)acetic acid,COc1cccc(CC(=O)O)c1,COc1cccc(CC(=O)O)c1,"InChI=1/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O3,,,,,,LEGPZHPSIPPYIO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.719,217-290-1,1801-42-9,"2,3-diphenyl-1H-inden-1-one","2,3-diphenyl-1H-inden-1-one",O=C1C(=C(c2ccccc2)c3ccccc13)c4ccccc4,O=C1C(=C(c2ccccc2)c3ccccc13)c4ccccc4,InChI=1/C21H14O/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(21)16-11-5-2-6-12-16/h1-14H,C21H14O,,,,,,POVRXYLNLVVNGW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.143,216-656-8,1635-02-5,"3,4-dimethylhex-3-en-2-one","3,4-dimethylhex-3-en-2-one",CC(CC)=C(C)C(C)=O,CC(CC)=C(C)C(C)=O,"InChI=1/C8H14O/c1-5-6(2)7(3)8(4)9/h5H2,1-4H3",C8H14O,,,,,,WRHRFVOAEDXVPC-UHFFFAOYSA-N,,,,,,,,,,,
100.015.144,216-657-3,1635-09-2,N-dodecyl-p-toluenesulphonamide,N-dodecyl-4-methylbenzenesulfonamide,CCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1,CCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1,"InChI=1/C19H33NO2S/c1-3-4-5-6-7-8-9-10-11-12-17-20-23(21,22)19-15-13-18(2)14-16-19/h13-16,20H,3-12,17H2,1-2H3",C19H33NO2S,,,,,,USAFAYBLWJSOFY-UHFFFAOYSA-N,,,,,,,,,,,
100.015.147,216-661-5,1635-61-6,5-chloro-2-nitroaniline,5-chloro-2-nitroaniline,Nc1cc(Cl)ccc1[N+](=O)[O-],Nc1cc(Cl)ccc1[N+](=O)[O-],"InChI=1/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2",C6H5ClN2O2,,,,,,ZCWXYZBQDNFULS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.157,216-672-5,1638-22-8,4-butylphenol,4-butylphenol,CCCCc1ccc(O)cc1,CCCCc1ccc(O)cc1,"InChI=1/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3",C10H14O,,,,,,CYYZDBDROVLTJU-UHFFFAOYSA-N,,,,,,,,,,,
100.015.160,216-675-1,1638-75-1,(chloromethyl)dimethylphosphine oxide,(chloromethyl)(dimethyl)phosphine oxide,CP(=O)(C)CCl,CP(=O)(C)CCl,"InChI=1/C3H8ClOP/c1-6(2,5)3-4/h3H2,1-2H3",C3H8ClOP,,,,,,VACOMSNNWGXHSF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.166,216-681-4,1639-43-6,17ß-hydroxyandrost-5-ene-3ß-yl acetate,17-hydroxyandrost-5-en-3-yl acetate,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC=C2C1,"InChI=1/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-19,23H,5-12H2,1-3H3",C21H32O3,,,,,,OQHMNEGOKQMOFM-BPSSIEEOSA-N,,,,,,,,,,,
100.015.167,216-683-5,1639-60-7,Dextropropoxyphene hydrochloride,1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate hydrochloride,Cl.CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2,Cl.CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2,"InChI=1/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H",C22H29NO2.ClH,,,,,,QMQBBUPJKANITL-MYXGOWFTSA-N,,,,,,,,,,,
100.015.170,216-686-1,1640-89-7,Ethylcyclopentane,ethylcyclopentane,CCC1CCCC1,CCC1CCCC1,"InChI=1/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3",C7H14,,,,,,IFTRQJLVEBNKJK-UHFFFAOYSA-N,,,,,,,,,,,
100.015.171,216-687-7,1641-09-4,Thiophene-3-carbonitrile,thiophene-3-carbonitrile,N#Cc1ccsc1,N#Cc1ccsc1,"InChI=1/C5H3NS/c6-3-5-1-2-7-4-5/h1-2,4H",C5H3NS,,,,,,GSXCEVHRIVLFJV-UHFFFAOYSA-N,,,,,,,,,,,
100.015.172,216-688-2,1641-17-4,Mexenone,(2-hydroxy-4-methoxyphenyl)(4-methylphenyl)methanone,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,"InChI=1/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3",C15H14O3,,,,,,MJVGBKJNTFCUJM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.173,216-689-8,1641-36-7,Butylammonium acetate,butan-1-aminium acetate,CCCC[NH3+].CC(=O)[O-],CCCC[NH3+].CC(=O)[O-],"InChI=1/C4H11N.C2H4O2/c1-2-3-4-5;1-2(3)4/h2-5H2,1H3;1H3,(H,3,4)",C4H11N.C2H4O2,,,,,,LXTKCTMGEWVPTB-UHFFFAOYSA-N,,,,,,,,,,,
100.015.175,216-691-9,1641-41-4,Indan-4-ol,indan-4-ol,Oc1cccc2CCCc12,Oc1cccc2CCCc12,"InChI=1/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2",C9H10O,,,,,,DPHNJPUOMLRELT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.183,216-700-6,1643-20-5,Dodecyldimethylamine oxide,dodecyl(dimethyl)amine oxide,CCCCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3",C14H31NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10062,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.183,SYELZBGXAIXKHU-UHFFFAOYSA-N,Positive,SM876801,[M+H]+,HCD35,230.2479:58.0653:62.0602,CASMI_2016,,,,,
100.039.144,243-075-7,19449-26-4,"N,N-dimethyl-1,3-dioxolan-2-amine","N,N-dimethyl-1,3-dioxolan-2-amine",CN(C)C1OCCO1,CN(C)C1OCCO1,"InChI=1/C5H11NO2/c1-6(2)5-7-3-4-8-5/h5H,3-4H2,1-2H3",C5H11NO2,,,,,,MPMQNXVIUFUDEP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.155,243-087-2,19466-47-8,Stigmastane-3-ß-ol,stigmastan-3-ol,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,"InChI=1/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3",C29H52O,,,,,,LGJMUZUPVCAVPU-KZXGMYDKSA-N,,,,,,,,,,,
100.039.160,243-093-5,19473-05-3,"Sodium a,4-dihydroxy-3-methoxytoluene-a-sulphonate",sodium hydroxy(4-hydroxy-3-methoxyphenyl)methanesulfonate,[Na+].COc1cc(ccc1O)C(O)S(=O)(=O)[O-],[Na+].COc1cc(ccc1O)C(O)S(=O)(=O)[O-],"InChI=1/C8H10O6S.Na/c1-14-7-4-5(2-3-6(7)9)8(10)15(11,12)13;/h2-4,8-10H,1H3,(H,11,12,13);/q;+1/p-1",C8H10O6S.Na,,,,,,GRLMAXWKMVTJTM-UHFFFAOYSA-M,,,,,,,,,,,
100.039.161,243-094-0,19473-49-5,5-potassium hydrogen L-glutamate,potassium 5-oxido-5-oxo-L-norvaline,N[C@@H](CCC(=O)O[K])C(=O)O,N[C@@H](CCC(=O)O[K])C(=O)O,"InChI=1/C5H9NO4.K/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1",C5H9NO4.K,,,,,,HQEROMHPIOLGCB-DFWYDOINSA-M,,,,,,,,,,,
100.016.750,218-424-1,2150-38-1,"Methyl 3,4-dimethoxybenzoate","methyl 3,4-dimethoxybenzoate",COC(=O)c1ccc(OC)c(OC)c1,COC(=O)c1ccc(OC)c(OC)c1,"InChI=1/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3",C10H12O4,,,,,,BIGQPYZPEWAPBG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.753,218-427-8,2150-46-1,"Methyl 2,5-dihydroxybenzoate","methyl 2,5-dihydroxybenzoate",COC(=O)c1cc(O)ccc1O,COC(=O)c1cc(O)ccc1O,"InChI=1/C8H8O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,9-10H,1H3",C8H8O4,,,,,,XGDPKUKRQHHZTH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.757,218-432-5,2150-54-1,"Tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate]","tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(O)c1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(cc(O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(O)c1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(cc(O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5)S([O-])(=O)=O,"InChI=1/C34H26N4O16S4.4Na/c1-15-7-17(3-5-23(15)35-37-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-25(39)29(19)33(31)41)18-4-6-24(16(2)8-18)36-38-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-26(40)30(20)34(32)42;;;;/h3-14,39-42H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H26N4O16S4.4Na,,,,,,JUEBRKPPGMULSU-UHFFFAOYSA-J,,,,,,,,,,,
100.016.763,218-438-8,2152-34-3,Pemoline,"2-amino-5-phenyl-1,3-oxazol-4(5H)-one",NC1=NC(=O)C(O1)c2ccccc2,NC1=NC(=O)C(O1)c2ccccc2,"InChI=1/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)",C9H8N2O2,,,,,,NRNCYVBFPDDJNE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.593,222-652-7,3566-44-7,"N-(4-methoxyphenyl)benzene-1,4-diamine monohydrochloride","N-(4-methoxyphenyl)benzene-1,4-diamine hydrochloride",Cl.COc1ccc(Nc2ccc(N)cc2)cc1,Cl.COc1ccc(Nc2ccc(N)cc2)cc1,"InChI=1/C13H14N2O.ClH/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;/h2-9,15H,14H2,1H3;1H",C13H14N2O.ClH,,,,,,HPQQXLXIGHOKNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.594,222-653-2,3566-94-7,1-(5-chloro-2-hydroxyphenylazo)-2-naphthol,1-[(5-chloro-2-hydroxyphenyl)diazenyl]-2-naphthol,Oc3ccc(Cl)cc3N=Nc1c2ccccc2ccc1O,Oc3ccc(Cl)cc3N=Nc1c2ccccc2ccc1O,"InChI=1/C16H11ClN2O2/c17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H",C16H11ClN2O2,,,,,,HQKOBNMULFASAN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.596,222-655-3,3567-65-5,"Disodium 7-hydroxy-8-[[4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonate","disodium 7-hydroxy-8-({4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c6c(ccc5O)cc(cc6S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c6c(ccc5O)cc(cc6S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H26N4O10S3.2Na/c1-22-2-17-30(18-3-22)52(47,48)49-29-15-13-28(14-16-29)37-36-26-9-4-23(5-10-26)24-6-11-27(12-7-24)38-39-35-32(40)19-8-25-20-31(50(41,42)43)21-33(34(25)35)51(44,45)46;;/h2-21,40H,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C35H26N4O10S3.2Na,,,,,,SVSHEAJPDAGGCC-UHFFFAOYSA-L,,,,,,,,,,,
100.020.600,222-660-0,3568-00-1,Mebutizide,"6-chloro-3-(1,2-dimethylbutyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",CCC(C)C(C)C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N,CCC(C)C(C)C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N,"InChI=1/C13H20ClN3O4S2/c1-4-7(2)8(3)13-16-10-5-9(14)11(22(15,18)19)6-12(10)23(20,21)17-13/h5-8,13,16-17H,4H2,1-3H3,(H2,15,18,19)",C13H20ClN3O4S2,,,,,,KJLLKLRVCJAFRY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.602,222-662-1,3568-24-9,1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]propan-1-one,1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one,CCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1,CCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1,"InChI=1/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3",C20H24N2OS,,,,,,ZQTVCQIJTREKSP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.604,222-664-2,3568-43-2,N-[(4-aminophenyl)sulphonyl]-N-(6-methoxypyridazin-3-yl)acetamide,N-[(4-aminophenyl)sulfonyl]-N-(6-methoxypyridazin-3-yl)acetamide,COc1ccc(nn1)N(C(=O)C)S(=O)(=O)c2ccc(N)cc2,COc1ccc(nn1)N(C(=O)C)S(=O)(=O)c2ccc(N)cc2,"InChI=1/C13H14N4O4S/c1-9(18)17(12-7-8-13(21-2)16-15-12)22(19,20)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3",C13H14N4O4S,,,,,,PRQPWOFXPDTCSM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.607,222-667-9,3569-21-9,1H-indole-3-propanol,3-(1H-indol-3-yl)propan-1-ol,OCCCc1c[nH]c2ccccc12,OCCCc1c[nH]c2ccccc12,"InChI=1/C11H13NO/c13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12-13H,3-4,7H2",C11H13NO,,,,,,LYPSVQXMCZIRGP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.608,222-668-4,3569-99-1,N-(hydroxymethyl)nicotinamide,N-(hydroxymethyl)nicotinamide,OCNC(=O)c1cccnc1,OCNC(=O)c1cccnc1,"InChI=1/C7H8N2O2/c10-5-9-7(11)6-2-1-3-8-4-6/h1-4,10H,5H2,(H,9,11)",C7H8N2O2,,,,,,JRFKIOFLCXKVOT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.610,222-671-0,3570-55-6,"2,2'-thiodiethanethiol","2,2'-sulfanediyldiethanethiol",SCCSCCS,SCCSCCS,"InChI=1/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2",C4H10S3,,,,,,KSJBMDCFYZKAFH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.021,220-922-9,2938-48-9,"Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dione","3,3-dimethyldihydro-2H-pyran-2,6(3H)-dione",CC1(C)CCC(=O)OC1=O,CC1(C)CCC(=O)OC1=O,"InChI=1/C7H10O3/c1-7(2)4-3-5(8)10-6(7)9/h3-4H2,1-2H3",C7H10O3,,,,,,PAVNZLVXYJDFNR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.025,220-927-6,2941-63-1,2-methyl-6-nitrobenzothiazole,"2-methyl-6-nitro-1,3-benzothiazole",Cc1nc2ccc(cc2s1)[N+](=O)[O-],Cc1nc2ccc(cc2s1)[N+](=O)[O-],"InChI=1/C8H6N2O2S/c1-5-9-7-3-2-6(10(11)12)4-8(7)13-5/h2-4H,1H3",C8H6N2O2S,,,,,,YAQKYKGFPQPPQE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.027,220-929-7,2941-69-7,5-methoxy-2-methylbenzothiazole,"5-methoxy-2-methyl-1,3-benzothiazole",COc1ccc2sc(C)nc2c1,COc1ccc2sc(C)nc2c1,"InChI=1/C9H9NOS/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3",C9H9NOS,,,,,,SAQMNBWVOKYKPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.030,220-932-3,2941-78-8,6-amino-m-toluic acid,2-amino-5-methylbenzoic acid,Cc1ccc(N)c(c1)C(=O)O,Cc1ccc(N)c(c1)C(=O)O,"InChI=1/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)",C8H9NO2,,,,,,NBUUUJWWOARGNW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.031,220-933-9,5/06/2942,6-nitrobenzothiazole,"6-nitro-1,3-benzothiazole",[O-][N+](=O)c1ccc2ncsc2c1,[O-][N+](=O)c1ccc2ncsc2c1,InChI=1/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H,C7H4N2O2S,,,,,,QLUFBCVWKTWKBF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.039,220-942-8,1/06/2944,Hexadecyl hydrogen maleate,4-(hexadecyloxy)-4-oxobut-2-enoic acid,CCCCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O,CCCCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O,"InChI=1/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22/h16-17H,2-15,18H2,1H3,(H,21,22)",C20H36O4,,,,,,YXIQOXQGELPIFQ-MSUUIHNZSA-N,,,,,,,,,,,
100.019.045,220-949-6,2944-58-3,4-chlorophenyl salicylate,4-chlorophenyl salicylate,Oc1ccccc1C(=O)Oc2ccc(Cl)cc2,Oc1ccccc1C(=O)Oc2ccc(Cl)cc2,"InChI=1/C13H9ClO3/c14-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)15/h1-8,15H",C13H9ClO3,,,,,,TUYYMOBSJNEIKN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.047,220-951-7,2944-66-3,Diiron trioxalate,diiron trioxalate,[Fe+3].[Fe+3].[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O,[Fe+3].[Fe+3].[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O,"InChI=1/3C2H2O4.2Fe/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C6Fe2O12,,,,,,VEPSWGHMGZQCIN-UHFFFAOYSA-H,,,,,,,,,,,
100.019.050,220-954-3,2944-70-9,Diacetoxymethylvinylsilane,(vinylsilyl)methylene diacetate,CC(=O)OC(OC(=O)C)[SiH2]C=C,CC(=O)OC(OC(=O)C)[SiH2]C=C,"InChI=1/C7H12O4Si/c1-4-12-7(10-5(2)8)11-6(3)9/h4,7H,1,12H2,2-3H3",C7H12O4Si,,,,,,MQKPVZNFEVIUMG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.057,220-962-7,2947-60-6,m-methylphenylacetonitrile,(3-methylphenyl)acetonitrile,Cc1cccc(CC#N)c1,Cc1cccc(CC#N)c1,"InChI=1/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3",C9H9N,,,,,,WOJADIOTNFDWNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.058,218-763-5,2227-17-0,Dienochlor,"1,1',2,2',3,3',4,4',5,5'-decachloro-1,1'-bi(cyclopenta-2,4-dien-1-yl)",ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl,ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl,"InChI=1/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18",C10Cl10,,,,,,LWLJUMBEZJHXHV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.062,218-767-7,2230-87-7,Neomenthyl acetate,2-isopropyl-5-methylcyclohexyl acetate,CC(C)C1CCC(C)CC1OC(=O)C,CC(C)C1CCC(C)CC1OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,XHXUANMFYXWVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.063,218-768-2,2230-90-2,Menthyl formate,2-isopropyl-5-methylcyclohexyl formate,O=COC1CC(C)CCC1C(C)C,O=COC1CC(C)CCC1C(C)C,"InChI=1/C11H20O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7-11H,4-6H2,1-3H3",C11H20O2,,,,,,XEYZAKCJAFSLGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.065,218-770-3,2231-66-5,"2,2-dimethyl-5-(1-methylethylidene)-1,3-dioxane-4,6-dione","5-isopropylidene-2,2-dimethyl-1,3-dioxane-4,6-dione",CC(=C1C(=O)OC(C)(C)OC1=O)C,CC(=C1C(=O)OC(C)(C)OC1=O)C,"InChI=1/C9H12O4/c1-5(2)6-7(10)12-9(3,4)13-8(6)11/h1-4H3",C9H12O4,,,,,,XPGWFAZUEHWZIR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.069,218-775-0,2233-29-6,"2,3,4-trimethylpyridine","2,3,4-trimethylpyridine",Cc1ccnc(C)c1C,Cc1ccnc(C)c1C,"InChI=1/C8H11N/c1-6-4-5-9-8(3)7(6)2/h4-5H,1-3H3",C8H11N,,,,,,HOPRXXXSABQWAV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.076,218-782-9,2234-26-6,Norbornane-2-carbonitrile,bicyclo[2.2.1]heptane-2-carbonitrile,N#CC1CC2CCC1C2,N#CC1CC2CCC1C2,"InChI=1/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2",C8H11N,,,,,,GAHKEUUHTHVKEA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.089,218-797-0,5/11/2236,Methyl 2-hydroxycyclohexanecarboxylate,methyl 2-hydroxycyclohexanecarboxylate,COC(=O)C1CCCCC1O,COC(=O)C1CCCCC1O,"InChI=1/C8H14O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6-7,9H,2-5H2,1H3",C8H14O3,,,,,,IAJQZEQYGUQTQS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.091,218-799-1,2236-60-4,2-amino-1H-pteridin-4-one,2-aminopteridin-4(1H)-one,NC1=NC(=O)c2nccnc2N1,NC1=NC(=O)c2nccnc2N1,"InChI=1/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)",C6H5N5O,,,,,,HNXQXTQTPAJEJL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.097,218-805-2,2240-14-4,Fencamfamin hydrochloride,N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine,CCNC1C2CCC(C2)C1c3ccccc3,CCNC1C2CCC(C2)C1c3ccccc3,"InChI=1/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3",C15H21N.ClH,,,,,,IKFBPFGUINLYQI-UHFFFAOYSA-N,,,,,,,,,,,
100.015.720,217-291-7,1801-72-5,"1,3-diallylurea","1,3-diallylurea",C=CCNC(=O)NCC=C,C=CCNC(=O)NCC=C,"InChI=1/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)",C7H12N2O,,,,,,QRWVOJLTHSRPOA-UHFFFAOYSA-N,,,,,,,,,,,
100.015.721,217-292-2,1801-76-9,Tributoxyoxovanadium,tris(butan-1-olato)(oxo)vanadium,CCCCO[V](=O)(OCCCC)OCCCC,CCCCO[V](=O)(OCCCC)OCCCC,"InChI=1/3C4H9O.O.V/c3*1-2-3-4-5;;/h3*2-4H2,1H3;;/q3*-1;;+3/rC12H27O4V/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",C12H27O4V,,,,,,VCEZGBKGUDOMPS-UHFFFAOYSA-N,,,,,,,,,,,
100.015.723,217-294-3,1804-28-0,1-(p-methylbenzyl)cyclopropanecarboxylic acid,1-(4-methylbenzyl)cyclopropanecarboxylic acid,Cc1ccc(CC2(CC2)C(=O)O)cc1,Cc1ccc(CC2(CC2)C(=O)O)cc1,"InChI=1/C12H14O2/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3,(H,13,14)",C12H14O2,,,,,,HJWBQCOOUNIZPR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.726,217-298-5,1805-22-7,Nonafluoro(trifluoromethyl)cyclopentane,nonafluoro(trifluoromethyl)cyclopentane,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C6F12/c7-1(6(16,17)18)2(8,9)4(12,13)5(14,15)3(1,10)11",C6F12,,,,,,BCNXQFASJTYKDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.735,217-308-8,1807-29-0,"2,4-dioctylphenol","2,4-dioctylphenol",CCCCCCCCc1ccc(O)c(CCCCCCCC)c1,CCCCCCCCc1ccc(O)c(CCCCCCCC)c1,"InChI=1/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3",C22H38O,,,,,,RLMZELPHRPTNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.598,249-074-8,28541-84-6,6-bromo-2-naphthyl a-D-mannopyranoside,6-bromo-2-naphthyl alpha-D-mannopyranoside,OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2",C16H17BrO6,,,,,,NLRXQZJJCPRATR-OWYFMNJBSA-N,,,,,,,,,,,
100.044.601,249-077-4,28548-57-4,N-hydroxy-4-nitroso-N-phenylaniline,N-hydroxy-4-nitroso-N-phenylaniline,ON(c1ccccc1)c2ccc(cc2)N=O,ON(c1ccccc1)c2ccc(cc2)N=O,"InChI=1/C12H10N2O2/c15-13-10-6-8-12(9-7-10)14(16)11-4-2-1-3-5-11/h1-9,16H",C12H10N2O2,,,,,,VWLFQZQXGSXBKM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.603,249-080-0,28553-21-1,"3ß,12ß,14-trihydroxy-5ß-card-20(22)-enolide, monodigitoxoside","3-[(2,6-dideoxyhexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide",CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C2,CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C2,"InChI=1/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3",C29H44O8,,,,,,JFSXBMIFXZFKHD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.607,249-084-2,28567-53-5,N-(2-ethylhexyl)-D-gluconamide,"N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCC(CC)CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCC(CC)CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C14H29NO6/c1-3-5-6-9(4-2)7-15-14(21)13(20)12(19)11(18)10(17)8-16/h9-13,16-20H,3-8H2,1-2H3,(H,15,21)",C14H29NO6,,,,,,GUBOZUXRNZWHIW-FOMPKITHSA-N,,,,,,,,,,,
100.044.612,249-090-5,28575-89-5,Barium dodecylbenzenesulphonate,barium bis(2-dodecylbenzenesulfonate),[Ba+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Ba+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C18H30O3S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2",C18H30O3S.1/2Ba,,,,,,BBCDCWSBHCIZJI-UHFFFAOYSA-L,,,,,,,,,,,
100.044.613,249-091-0,28577-62-0,"Dichlorobuta-1,3-diene","1,1-dichlorobuta-1,3-diene",ClC(=CC=C)Cl,ClC(=CC=C)Cl,"InChI=1/C4H4Cl2/c1-2-3-4(5)6/h2-3H,1H2",C4H4Cl2,,,,,,PDKAXHLOFWCWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.616,249-094-7,28588-74-1,2-methylfuran-3-thiol,2-methylfuran-3-thiol,Cc1occc1S,Cc1occc1S,"InChI=1/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3",C5H6OS,,,,,,RUYNUXHHUVUINQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.619,249-097-3,28594-13-0,(3S)-5'-[(3-amino-3-carboxypropyl)methylsulphonio]-5'-deoxyadenosine sulphate,"bis[(3-amino-3-carboxypropyl){[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylsulfonium] sulfate (non-preferred name)",C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23.C[S+](CCC(N)C(=O)O)C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56.[O-]S(=O)(=O)[O-],C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23.C[S+](CCC(N)C(=O)O)C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56.[O-]S(=O)(=O)[O-],"InChI=1/2C15H22N6O5S.H2O4S/c2*1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;1-5(2,3)4/h2*5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);(H2,1,2,3,4)",C15H23N6O5S.HO4S,,,,,,TVEIQLLFQONHOA-PECOQBPGSA-N,,,,,,,,,,,
100.044.623,249-101-3,28605-74-5,Tetrachlorodifluoroethane,"1,1,1,2-tetrachloro-2,2-difluoroethane",FC(F)(Cl)C(Cl)(Cl)Cl,FC(F)(Cl)C(Cl)(Cl)Cl,"InChI=1/C2Cl4F2/c3-1(4,5)2(6,7)8",C2Cl4F2,,,,,,SLGOCMATMKJJCE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.377,243-331-8,19805-75-5,"2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide","2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide",CC1(C)NC(C)(C)C(=C1)C(=O)N,CC1(C)NC(C)(C)C(=C1)C(=O)N,"InChI=1/C9H16N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h5,11H,1-4H3,(H2,10,12)",C9H16N2O,,,,,,ACFYUJLIWIDSFM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.164,243-097-7,19475-69-5,"N'-[3-[(3-aminopropyl)amino]propyl]-N,N-dimethylpropane-1,3-diamine","N'-{3-[(3-aminopropyl)amino]propyl}-N,N-dimethylpropane-1,3-diamine",CN(C)CCCNCCCNCCCN,CN(C)CCCNCCCNCCCN,"InChI=1/C11H28N4/c1-15(2)11-5-10-14-9-4-8-13-7-3-6-12/h13-14H,3-12H2,1-2H3",C11H28N4,,,,,,OYEMOASLKDSYHR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.165,243-098-2,19479-80-2,1-(diazomethyl)-4-nitrobenzene,1-(diazomethyl)-4-nitrobenzene,[O-][N+](=O)c1ccc(C=[N+]=[N-])cc1,[O-][N+](=O)c1ccc(C=[N+]=[N-])cc1,InChI=1/C7H5N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,C7H5N3O2,,,,,,MNGYXDOGPIDUNU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.166,243-099-8,19479-83-5,"1,1'-ethylenedipiperazine","1,1'-ethane-1,2-diyldipiperazine",C(CN1CCNCC1)N2CCNCC2,C(CN1CCNCC1)N2CCNCC2,"InChI=1/C10H22N4/c1-5-13(6-2-11-1)9-10-14-7-3-12-4-8-14/h11-12H,1-10H2",C10H22N4,,,,,,XDHVNMPVLPEHND-UHFFFAOYSA-N,,,,,,,,,,,
100.039.168,243-101-7,19480-39-8,Ammonium 4-chloro-2-methylphenoxyacetate,ammonium (4-chloro-2-methylphenoxy)acetate,[NH4+].Cc1cc(Cl)ccc1OCC(=O)[O-],[NH4+].Cc1cc(Cl)ccc1OCC(=O)[O-],"InChI=1/C9H9ClO3.H3N/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);1H3",C9H9ClO3.H3N,,,,,,PMPOPSWETLDYSC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.173,243-106-4,19487-61-7,2-decenyl acetate,dec-2-en-1-yl acetate,CC(=O)OCC=CCCCCCCC,CC(=O)OCC=CCCCCCCC,"InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h9-10H,3-8,11H2,1-2H3",C12H22O2,,,,,,LUMRROIRFJRWNX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.174,243-108-5,19487-71-9,1-ethyl-4-[2-(phenylamino)vinyl]quinolinium iodide,4-(2-anilinovinyl)-1-ethylquinolinium iodide,[I-].CC[n+]1ccc(\\C=C\\Nc2ccccc2)c3ccccc13,[I-].CC[n+]1ccc(\C=C\Nc2ccccc2)c3ccccc13,"InChI=1/C19H18N2.HI/c1-2-21-15-13-16(18-10-6-7-11-19(18)21)12-14-20-17-8-4-3-5-9-17;/h3-15H,2H2,1H3;1H",C19H19N2.I,,,,,,OJPXVCNNSLIXDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.182,243-116-9,19504-77-9,Pecilocin,"1-(8-hydroxy-6-methyldodeca-2,4,6-trienoyl)pyrrolidin-2-one",O=C1CCCN1C(=O)C=CC=CC(C)=C[C@H](O)CCCC,O=C1CCCN1C(=O)C=CC=CC(C)=C[C@H](O)CCCC,"InChI=1/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3",C17H25NO3,,,,,,ZYPGADGCNXOUJP-OAHLLOKOSA-N,,,,,,,,,,,
100.039.183,243-117-4,19506-87-7,2-phthalimidopropionic acid,"2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid",CC(N1C(=O)c2ccccc2C1=O)C(=O)O,CC(N1C(=O)c2ccccc2C1=O)C(=O)O,"InChI=1/C11H9NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h2-6H,1H3,(H,15,16)",C11H9NO4,,,,,,OZWUITKBAWTEAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.186,243-121-6,19515-61-8,Diethyl (3-oxopropyl)malonate,diethyl (3-oxopropyl)malonate,CCOC(=O)C(CCC=O)C(=O)OCC,CCOC(=O)C(CCC=O)C(=O)OCC,"InChI=1/C10H16O5/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h7-8H,3-6H2,1-2H3",C10H16O5,,,,,,FGQNJWQEVPVFIN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.660,249-142-7,28675-17-4,Dodecylaniline,2-dodecylaniline,CCCCCCCCCCCCc1ccccc1N,CCCCCCCCCCCCc1ccccc1N,"InChI=1/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16H,2-11,14,19H2,1H3",C18H31N,,,,,,SOANRMMGFPUDDF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.663,249-145-3,28677-00-1,Hexafluorobis(trifluoromethyl)cyclobutane,"1,1,2,2,3,3-hexafluoro-4,4-bis(trifluoromethyl)cyclobutane",FC(F)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C6F12/c7-2(8)1(5(13,14)15,6(16,17)18)3(9,10)4(2,11)12",C6F12,,,,,,TXGPGHBYAPBDAG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.665,249-147-4,28678-55-9,Sodium didodecylbenzenesulphonate,"sodium 2,3-didodecylbenzenesulfonate",[Na+].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C30H54O3S.Na/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;+1/p-1",C30H54O3S.Na,,,,,,JRVWRMFPTWOUNN-UHFFFAOYSA-M,,,,,,,,,,,
100.044.668,249-151-6,28679-16-5,"Trimethylhexa-1,6-diyl diisocyanate","1,6-diisocyanato-5,6-dimethylheptane",CC(CCCCN=C=O)C(C)(C)N=C=O,CC(CCCCN=C=O)C(C)(C)N=C=O,"InChI=1/C11H18N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h10H,4-7H2,1-3H3",C11H18N2O2,,,,,,VZXPHDGHQXLXJC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.669,249-152-1,28679-24-5,(dodecylbenzyl)triethylammonium chloride,"N-(2-dodecylbenzyl)-N,N-diethylethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccccc1C[N+](CC)(CC)CC,[Cl-].CCCCCCCCCCCCc1ccccc1C[N+](CC)(CC)CC,"InChI=1/C25H46N.ClH/c1-5-9-10-11-12-13-14-15-16-17-20-24-21-18-19-22-25(24)23-26(6-2,7-3)8-4;/h18-19,21-22H,5-17,20,23H2,1-4H3;1H/q+1;/p-1",C25H46N.Cl,,,,,,RRXCPKUTUSEYNI-UHFFFAOYSA-M,,,,,,,,,,,
100.044.671,249-154-2,28680-67-3,Didodecylnaphthalene,"1,2-didodecylnaphthalene",CCCCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCCCCC,CCCCCCCCCCCCc1ccc2ccccc2c1CCCCCCCCCCCC,"InChI=1/C34H56/c1-3-5-7-9-11-13-15-17-19-21-25-31-29-30-32-26-23-24-28-34(32)33(31)27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28-30H,3-22,25,27H2,1-2H3",C34H56,,,,,,WEEXSGAZENELNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.674,249-157-9,28689-08-9,"3,5-dichloro-1,2-dinitrobenzene","1,5-dichloro-2,3-dinitrobenzene",[O-][N+](=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-],[O-][N+](=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-],InChI=1/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)5(2-3)9(11)12/h1-2H,C6H2Cl2N2O4,,,,,,OBRJNJHIDOWUTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.613,222-674-7,3571-23-1,"N-(9,10-dioxo-1-anthryl)benzamide","N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccccc4,O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccccc4,"InChI=1/C21H13NO3/c23-19-14-9-4-5-10-15(14)20(24)18-16(19)11-6-12-17(18)22-21(25)13-7-2-1-3-8-13/h1-12H,(H,22,25)",C21H13NO3,,,,,,KOJOUCAVSDKDPR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.615,222-676-8,3571-36-6,"[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride",[Cl-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,[Cl-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,"InChI=1/C27H33N2.ClH/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;/h9-21H,5-8H2,1-4H3;1H/q+1;/p-1",C27H33N2.Cl,,,,,,YQRUDCCTRRXVAB-UHFFFAOYSA-M,,,,,,,,,,,
100.020.616,222-677-3,3571-53-7,Estradiol undecylate,"3-hydroxyestra-1,3,5(10)-trien-17-yl undecanoate",CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,"InChI=1/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3",C29H44O3,,,,,,TXHUMRBWIWWBGW-GVGNIZHQSA-N,,,,,,,,,,,
100.020.623,222-685-7,3572-47-2,Dioctylthioxostannane,dioctyl(thioxo)stannane,CCCCCCCC[Sn](=S)CCCCCCCC,CCCCCCCC[Sn](=S)CCCCCCCC,"InChI=1/2C8H17.S.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;/rC16H34SSn/c1-3-5-7-9-11-13-15-18(17)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34SSn,,,,,,RFAIKXASDCRKEP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.506,223-655-6,4004-96-0,4-phenyl-1-(p-tolylsulphonyl)piperazine,1-[(4-methylphenyl)sulfonyl]-4-phenylpiperazine,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccccc3,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccccc3,"InChI=1/C17H20N2O2S/c1-15-7-9-17(10-8-15)22(20,21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3",C17H20N2O2S,,,,,,UUVXQOJRYRAKLO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.508,223-657-7,4005-51-0,"1,3,4-thiadiazol-2-amine","1,3,4-thiadiazol-2-amine",Nc1nncs1,Nc1nncs1,"InChI=1/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)",C2H3N3S,,,,,,QUKGLNCXGVWCJX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.137,222-149-2,3371-50-4,O-a-D-glucopyranosyl-(1<U+2192>6)-O-a-D-glucopyranosyl-(1<U+2192>6)-D-glucose,hexopyranosyl-(1->6)hexopyranosyl-(1->6)hexopyranose,OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2",C18H32O16,,,,,,FBJQEBRMDXPWNX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.153,222-167-0,3375-50-6,2-mercaptoethanesulphonic acid,2-sulfanylethanesulfonic acid,OS(=O)(=O)CCS,OS(=O)(=O)CCS,"InChI=1/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)",C2H6O3S2,,,,,,ZNEWHQLOPFWXOF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.156,222-170-7,3376-95-2,2-ethylisonicotinamide,2-ethylisonicotinamide,CCc1cc(ccn1)C(=O)N,CCc1cc(ccn1)C(=O)N,"InChI=1/C8H10N2O/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)",C8H10N2O,,,,,,LWTBJUQFUISATQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.161,222-175-4,3377-92-2,Vinyl pivalate,vinyl pivalate,CC(C)(C)C(=O)OC=C,CC(C)(C)C(=O)OC=C,"InChI=1/C7H12O2/c1-5-9-6(8)7(2,3)4/h5H,1H2,2-4H3",C7H12O2,,,,,,YCUBDDIKWLELPD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.162,222-177-5,3378-63-0,"3,5,5-trimethylhexylamine","3,5,5-trimethylhexan-1-amine",CC(CCN)CC(C)(C)C,CC(CCN)CC(C)(C)C,"InChI=1/C9H21N/c1-8(5-6-10)7-9(2,3)4/h8H,5-7,10H2,1-4H3",C9H21N,,,,,,SIABJTQKCPDDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.166,222-181-7,3379-38-2,m-diphenoxybenzene,"1,3-diphenoxybenzene",O(c1ccccc1)c2cccc(Oc3ccccc3)c2,O(c1ccccc1)c2cccc(Oc3ccccc3)c2,InChI=1/C18H14O2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-14H,C18H14O2,,,,,,JTNRGGLCSLZOOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.168,222-183-8,3380-68-5,"5-methoxy-7H-furo[3,2-g][1]benzopyran-7-one","5-methoxy-7H-furo[3,2-g]chromen-7-one",COC1=CC(=O)Oc2cc3occc3cc12,COC1=CC(=O)Oc2cc3occc3cc12,"InChI=1/C12H8O4/c1-14-10-6-12(13)16-11-5-9-7(2-3-15-9)4-8(10)11/h2-6H,1H3",C12H8O4,,,,,,IFBJMRYEEKIECT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.178,222-194-8,3385-21-5,"Cyclohex-1,3-ylenediamine","cyclohexane-1,3-diamine",NC1CCCC(N)C1,NC1CCCC(N)C1,"InChI=1/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2",C6H14N2,,,,,,GEQHKFFSPGPGLN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.181,218-897-4,2276-90-6,Iotalamic acid,"3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid",CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",C11H9I3N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12157,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.181,UXIGWFXRQKWHHA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.187,218-905-6,2278-22-0,Peroxyacetyl nitrate,1-(nitroperoxy)-1-oxoethane,CC(=O)OON(=O)=O,CC(=O)OON(=O)=O,InChI=1/C2H3NO5/c1-2(4)7-8-3(5)6/h1H3,C2H3NO5,,,,,,VGQXTTSVLMQFHM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.102,218-811-5,2243-42-7,2-phenoxybenzoic acid,2-phenoxybenzoic acid,OC(=O)c1ccccc1Oc2ccccc2,OC(=O)c1ccccc1Oc2ccccc2,"InChI=1/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)",C13H10O3,,,,,,PKRSYEPBQPFNRB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.103,218-812-0,2243-43-8,4-phenoxybutyronitrile,4-phenoxybutanenitrile,N#CCCCOc1ccccc1,N#CCCCOc1ccccc1,"InChI=1/C10H11NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2",C10H11NO,,,,,,ZOLWCAUQCGRDGA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.475,222-521-4,3516-95-8,1-(2-hydroxyphenyl)-3-phenylpropan-1-one,1-(2-hydroxyphenyl)-3-phenylpropan-1-one,Oc1ccccc1C(=O)CCc2ccccc2,Oc1ccccc1C(=O)CCc2ccccc2,"InChI=1/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2",C15H14O2,,,,,,JCPGMXJLFWGRMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.477,222-524-0,3517-38-2,"3ß,17-dihydroxypregn-5-en-20-one 3,17-di(acetate)","20-oxopregn-5-ene-3,17-diyl diacetate",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(=O)C)C(=O)C)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(=O)C)C(=O)C)[C@@H]3CC=C2C1,"InChI=1/C25H36O5/c1-15(26)25(30-17(3)28)13-10-22-20-7-6-18-14-19(29-16(2)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h6,19-22H,7-14H2,1-5H3",C25H36O5,,,,,,JLYQTAVPLWZAFP-JNFBOQJPSA-N,,,,,,,,,,,
100.020.481,222-528-2,3518-83-0,1-ethylpiperidin-4-ol,1-ethylpiperidin-4-ol,CCN1CCC(O)CC1,CCN1CCC(O)CC1,"InChI=1/C7H15NO/c1-2-8-5-3-7(9)4-6-8/h7,9H,2-6H2,1H3",C7H15NO,,,,,,AHOJTPZHHMJMCW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.482,222-529-8,3520-42-1,"Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium, sodium salt","sodium 4-[3,6-bis(diethylamino)-2,7-dimethylxanthenium-9-yl]benzene-1,3-disulfonate",[Na+].CCN(CC)c1cc2[o+]c3cc(N(CC)CC)c(C)cc3c(c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])c2cc1C,[Na+].CCN(CC)c1cc2[o+]c3cc(N(CC)CC)c(C)cc3c(c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])c2cc1C,"InChI=1/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1",C27H30N2O7S2.Na,,,,,,UDLAGRPSLMPMNR-UHFFFAOYSA-L,,,,,,,,,,,
100.020.488,222-536-6,3522-50-7,Iron(III) citrate,citric acid,OC(=O)CC(O)(CC(=O)O)C(=O)O,OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H8O7.Fe,,,,,,KRKNYBCHXYNGOX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.492,222-540-8,3524-68-3,"2-(hydroxymethyl)-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate",3-(acryloyloxy)-2-[(acryloyloxy)methyl]-2-(hydroxymethyl)propyl acrylate (non-preferred name),OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2",C14H18O7,,,,,,HVVWZTWDBSEWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.499,222-548-1,3528-17-4,Thiochroman-4-one,"2,3-dihydro-4H-thiochromen-4-one",O=C1CCSc2ccccc12,O=C1CCSc2ccccc12,"InChI=1/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2",C9H8OS,,,,,,CVQSWZMJOGOPAV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.254,224-478-7,4377-35-9,2-(dichloromethyl)pyridine,2-(dichloromethyl)pyridine,ClC(Cl)c1ccccn1,ClC(Cl)c1ccccn1,"InChI=1/C6H5Cl2N/c7-6(8)5-3-1-2-4-9-5/h1-4,6H",C6H5Cl2N,,,,,,FOXDMOFYUBDIFD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.256,224-480-8,4378-36-3,Fenbutrazate,2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate,CCC(C(=O)OCCN1CCOC(C1C)c2ccccc2)c3ccccc3,CCC(C(=O)OCCN1CCOC(C1C)c2ccccc2)c3ccccc3,"InChI=1/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3",C23H29NO3,,,,,,BAQKJENAVQLANS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.257,224-481-3,4378-61-4,"4,10-dibromodibenzo[def,mno]chrysene-6,12-dione","4,10-dibromonaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dione",Brc1cc2C(=O)c3cccc4c(Br)cc5C(=O)c6cccc1c6c2c5c34,Brc1cc2C(=O)c3cccc4c(Br)cc5C(=O)c6cccc1c6c2c5c34,InChI=1/C22H8Br2O2/c23-15-7-14-19-17-9(15)3-1-5-11(17)21(25)13-8-16(24)10-4-2-6-12(22(14)26)18(10)20(13)19/h1-8H,C22H8Br2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5582,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.257,HTENFZMEHKCNMD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.266,224-491-8,4385-04-0,"N,N-dimethylhexylamine","N,N-dimethylhexan-1-amine",CCCCCCN(C)C,CCCCCCN(C)C,"InChI=1/C8H19N/c1-4-5-6-7-8-9(2)3/h4-8H2,1-3H3",C8H19N,,,,,,QMHNQZGXPNCMCO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.275,224-501-0,4388-47-0,"2-(p-tolyl)-1,3-dioxolane-4-methanol","[2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol",Cc1ccc(cc1)C2OCC(CO)O2,Cc1ccc(cc1)C2OCC(CO)O2,"InChI=1/C11H14O3/c1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11/h2-5,10-12H,6-7H2,1H3",C11H14O3,,,,,,DPJJKJUHERNDSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.277,224-503-1,4388-60-7,"1,3-dioxolane-2-propylamine","3-(1,3-dioxolan-2-yl)propan-1-amine",NCCCC1OCCO1,NCCCC1OCCO1,"InChI=1/C6H13NO2/c7-3-1-2-6-8-4-5-9-6/h6H,1-5,7H2",C6H13NO2,,,,,,STONKUXQDYRNTK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.279,224-505-2,4389-45-1,3-methylanthranil acid,2-amino-3-methylbenzoic acid,Cc1cccc(C(=O)O)c1N,Cc1cccc(C(=O)O)c1N,"InChI=1/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)",C8H9NO2,,,,,,WNAJXPYVTFYEST-UHFFFAOYSA-N,,,,,,,,,,,
100.039.378,243-332-3,19806-17-8,m-phenylenediacetic acid,"2,2'-(1,3-phenylene)diacetic acid",OC(=O)Cc1cccc(CC(=O)O)c1,OC(=O)Cc1cccc(CC(=O)O)c1,"InChI=1/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",C10H10O4,,,,,,GDYYIJNDPMFMTB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.379,243-333-9,19807-27-3,Palladium acetate,palladium(2+) diacetate,[Pd+2].CC(=O)[O-].CC(=O)[O-],[Pd+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Pd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.xPd,,,,,,YJVFFLUZDVXJQI-UHFFFAOYSA-L,,,,,,,,,,,
100.039.382,243-337-0,19810-73-2,2-(dimethylamino)-6-methyl-3H-pyrimidin-4-one,2-(dimethylamino)-6-methylpyrimidin-4(3H)-one,CN(C)C1=NC(=CC(=O)N1)C,CN(C)C1=NC(=CC(=O)N1)C,"InChI=1/C7H11N3O/c1-5-4-6(11)9-7(8-5)10(2)3/h4H,1-3H3,(H,8,9,11)",C7H11N3O,,,,,,KREIGOYUONNOJE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.383,243-338-6,19811-05-3,"2,4-dichlorobenzophenone","(2,4-dichlorophenyl)(phenyl)methanone",Clc1ccc(C(=O)c2ccccc2)c(Cl)c1,Clc1ccc(C(=O)c2ccccc2)c(Cl)c1,InChI=1/C13H8Cl2O/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H,C13H8Cl2O,,,,,,VLTYTTRXESKBKI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.389,243-344-9,19816-88-7,"1,3-diphenylpropan-2-one tosylhydrazone",N'-(1-benzyl-2-phenylethylidene)-4-methylbenzenesulfonohydrazide,Cc1ccc(cc1)S(=O)(=O)NN=C(Cc2ccccc2)Cc3ccccc3,Cc1ccc(cc1)S(=O)(=O)NN=C(Cc2ccccc2)Cc3ccccc3,"InChI=1/C22H22N2O2S/c1-18-12-14-22(15-13-18)27(25,26)24-23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3",C22H22N2O2S,,,,,,GDXUEUWCUUAZFM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.390,243-345-4,19817-91-5,Uridine 5'-(trisodium pyrophosphate),"trisodium 1-{5-O-[(phosphonatooxy)phosphinato]pentofuranosyl}pyrimidine-2,4(1H,3H)-dione",OC1C(O)C(OC1COP(=O)(O[Na])OP(=O)(O[Na])O[Na])N2C=CC(=O)NC2=O,OC1C(O)C(OC1COP(=O)(O[Na])OP(=O)(O[Na])O[Na])N2C=CC(=O)NC2=O,"InChI=1/C9H14N2O12P2.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3/rC9H11N2Na3O12P2/c12-23-27(19,26-28(20,24-13)25-14)21-3-4-6(16)7(17)8(22-4)11-2-1-5(15)10-9(11)18/h1-2,4,6-8,16-17H,3H2,(H,10,15,18)",C9H14N2O12P2.3Na,,,,,,GFASEGWJDXDCKZ-UHFFFAOYSA-K,,,,,,,,,,,
100.039.394,243-350-1,19821-27-3,"1-ethyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate","1-ethyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate",CCOC(=O)N1CCC(=O)C(C1)C(=O)OC,CCOC(=O)N1CCC(=O)C(C1)C(=O)OC,"InChI=1/C10H15NO5/c1-3-16-10(14)11-5-4-8(12)7(6-11)9(13)15-2/h7H,3-6H2,1-2H3",C10H15NO5,,,,,,NGKUXFFRPNDQIW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.395,243-351-7,19822-67-4,"2,2,5-trimethyl-4-cyclohepten-1-one","2,2,5-trimethylcyclohept-4-en-1-one",CC1=CCC(C)(C)C(=O)CC1,CC1=CCC(C)(C)C(=O)CC1,"InChI=1/C10H16O/c1-8-4-5-9(11)10(2,3)7-6-8/h6H,4-5,7H2,1-3H3",C10H16O,,,,,,SKKTZNHVYFHGDC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.068,224-274-8,2/05/4275,N-heptylideneaniline,N-heptylideneaniline,CCCCCCC=Nc1ccccc1,CCCCCCC=Nc1ccccc1,"InChI=1/C13H19N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h6-8,10-12H,2-5,9H2,1H3",C13H19N,,,,,,KMSXNTKLHGLTFH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.077,224-284-2,4282-31-9,"Thiophene-2,5-dicarboxylic acid","thiophene-2,5-dicarboxylic acid",OC(=O)c1ccc(s1)C(=O)O,OC(=O)c1ccc(s1)C(=O)O,"InChI=1/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)",C6H4O4S,,,,,,YCGAZNXXGKTASZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.083,224-291-0,4289-97-8,N-formyl-L-valine,N-formyl-L-valine,CC(C)[C@H](NC=O)C(=O)O,CC(C)[C@H](NC=O)C(=O)O,"InChI=1/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)",C6H11NO3,,,,,,QBYYLBWFBPAOKU-YFKPBYRVSA-N,,,,,,,,,,,
100.022.087,224-295-2,4292-90-4,"Octahydro-2,5-methano-2H-indeno[1,2-b]oxirene","octahydro-1aH-2,5-methanoindeno[1,2-b]oxirene",C1CC2CC1C3CC4OC4C23,C1CC2CC1C3CC4OC4C23,"InChI=1/C10H14O/c1-2-6-3-5(1)7-4-8-10(11-8)9(6)7/h5-10H,1-4H2",C10H14O,,,,,,FMWMPEUPRYDXRY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.089,224-297-3,4293-61-2,"4-ethyl-2-methyl-4,5-dihydrothiazole","4-ethyl-2-methyl-4,5-dihydro-1,3-thiazole",CCC1CSC(=N1)C,CCC1CSC(=N1)C,"InChI=1/C6H11NS/c1-3-6-4-8-5(2)7-6/h6H,3-4H2,1-2H3",C6H11NS,,,,,,LENVRVUQOXYSDH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.090,224-298-9,4294-16-0,6-benzylaminopurine,N-benzyladenosine,OC[C@H]4O[C@@H](n3cnc2c3ncnc2NCc1ccccc1)[C@H](O)[C@@H]4O,OC[C@H]4O[C@@H](n3cnc2c3ncnc2NCc1ccccc1)[C@H](O)[C@@H]4O,"InChI=1/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)",C17H19N5O4,,,,,,MRPKNNSABYPGBF-LSCFUAHRSA-N,,,,,,,,,,,
100.022.094,224-302-9,4295-65-2,2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol,2-chloro-9-[3-(dimethylamino)propyl]-9H-thioxanthen-9-ol,CN(C)CCCC1(O)c2ccccc2Sc3ccc(Cl)cc13,CN(C)CCCC1(O)c2ccccc2Sc3ccc(Cl)cc13,"InChI=1/C18H20ClNOS/c1-20(2)11-5-10-18(21)14-6-3-4-7-16(14)22-17-9-8-13(19)12-15(17)18/h3-4,6-9,12,21H,5,10-11H2,1-2H3",C18H20ClNOS,,,,,,YJINNJOMTOJZBH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.097,224-306-0,4298-16-2,"(±)-N,a-dimethylphenethylamine hydrochloride",N-methyl-1-phenylpropan-2-amine hydrochloride,Cl.CNC(C)Cc1ccccc1,Cl.CNC(C)Cc1ccccc1,"InChI=1/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H",C10H15N.ClH,,,,,,TWXDDNPPQUTEOV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.676,249-160-5,28692-35-5,"Lithium 2-(2,4-dichlorophenoxy)propionate","lithium 2-(2,4-dichlorophenoxy)propanoate",[Li+].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],[Li+].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H8Cl2O3.Li/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);/q;+1/p-1",C9H8Cl2O3.Li,,,,,,PLCDUUDPVHWYKA-UHFFFAOYSA-M,,,,,,,,,,,
100.044.678,249-162-6,28692-94-6,Piperidinium laurate,piperidinium laurate,CCCCCCCCCCCC(=O)[O-].C1CC[NH2+]CC1,CCCCCCCCCCCC(=O)[O-].C1CC[NH2+]CC1,"InChI=1/C12H24O2.C5H11N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-4-6-5-3-1/h2-11H2,1H3,(H,13,14);6H,1-5H2",C12H24O2.C5H11N,,,,,,CPWKNJDHUBWTSY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.680,249-164-7,28694-90-8,2-(4-aminophenyl)propiononitrile,2-(4-aminophenyl)propanenitrile,CC(C#N)c1ccc(N)cc1,CC(C#N)c1ccc(N)cc1,"InChI=1/C9H10N2/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,7H,11H2,1H3",C9H10N2,,,,,,RZSVLKAIDMAXLB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.684,249-168-9,28706-21-0,"Tetrasodium 7,7'-[ureylenebis[(2-methyl-p-phenylene)azo]]dinaphthalene-1,3-disulphonate","tetrasodium 7-({4-[({4-[(6,8-disulfonato-2-naphthyl)diazenyl]-2-methylphenyl}carbamoyl)amino]-3-methylphenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[Na+].O=C(Nc1ccc(cc1C)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O)Nc6ccc(N=Nc4cc5c(cc(cc5cc4)S([O-])(=O)=O)S([O-])(=O)=O)cc6C,[Na+].[Na+].[Na+].[Na+].O=C(Nc1ccc(cc1C)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O)Nc6ccc(N=Nc4cc5c(cc(cc5cc4)S([O-])(=O)=O)S([O-])(=O)=O)cc6C,"InChI=1/C35H28N6O13S4.4Na/c1-19-11-23(38-40-25-5-3-21-13-27(55(43,44)45)17-33(29(21)15-25)57(49,50)51)7-9-31(19)36-35(42)37-32-10-8-24(12-20(32)2)39-41-26-6-4-22-14-28(56(46,47)48)18-34(30(22)16-26)58(52,53)54;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C35H28N6O13S4.4Na,,,,,,GHTAXKMDMSJLJR-UHFFFAOYSA-J,,,,,,,,,,,
100.044.685,249-169-4,28706-22-1,"Tetrasodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate","tetrasodium 3-({4-[({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-2-methoxyphenyl}carbamoyl)amino]-3-methoxyphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].COc4cc(ccc4NC(=O)Nc3ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)N=Nc6cc5c(cccc5c(c6)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc4cc(ccc4NC(=O)Nc3ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)N=Nc6cc5c(cccc5c(c6)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H28N6O15S4.4Na/c1-55-29-15-19(38-40-21-13-25-23(33(17-21)59(49,50)51)5-3-7-31(25)57(43,44)45)9-11-27(29)36-35(42)37-28-12-10-20(16-30(28)56-2)39-41-22-14-26-24(34(18-22)60(52,53)54)6-4-8-32(26)58(46,47)48;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C35H28N6O15S4.4Na,,,,,,HJXMMEXOJPCGEI-UHFFFAOYSA-J,,,,,,,,,,,
100.044.688,249-173-6,28706-44-7,[bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate,"1,5-dihydroxy-N-[2-(stearoyloxy)ethyl]pentan-3-aminium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-],"InChI=1/C25H51NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)30-23-20-26-24(18-21-27)19-22-28;1-5-6(2,3)4/h24,26-28H,2-23H2,1H3;1H3,(H,2,3,4)",C25H52NO4.CH3O4S,,,,,,BBFOCPUTMUUPRR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.690,249-175-7,28710-97-6,"3-amino-1-phenyl-4,5-dihydropyrazolin-5-one","5-amino-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NC1=CC(=O)N(N1)c2ccccc2,NC1=CC(=O)N(N1)c2ccccc2,"InChI=1/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H,10H2",C9H9N3O,,,,,,PVKNQGWSRAGMNM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.692,249-177-8,28711-05-9,"N,N'-methylenebis[N-(hydroxymethyl)acrylamide]","N,N'-methylenebis[N-(hydroxymethyl)acrylamide]",OCN(CN(CO)C(=O)C=C)C(=O)C=C,OCN(CN(CO)C(=O)C=C)C(=O)C=C,"InChI=1/C9H14N2O4/c1-3-8(14)10(6-12)5-11(7-13)9(15)4-2/h3-4,12-13H,1-2,5-7H2",C9H14N2O4,,,,,,ZGRZYEIIQUWUFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.387,224-625-5,4430-45-9,Octyl isothiocyanate,1-isothiocyanatooctane,CCCCCCCCN=C=S,CCCCCCCCN=C=S,"InChI=1/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3",C9H17NS,,,,,,YEZHGQZHWKJPCM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.388,224-626-0,4430-55-1,"6,15-dimethoxybenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione","6,15-dimethoxybenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione",COc1cc2c3ccccc3C(=O)c4ccc5c6c(OC)cc7c8ccccc8C(=O)c9ccc(c1c5c24)c6c79,COc1cc2c3ccccc3C(=O)c4ccc5c6c(OC)cc7c8ccccc8C(=O)c9ccc(c1c5c24)c6c79,"InChI=1/C36H20O4/c1-39-27-15-25-17-7-3-5-9-19(17)35(37)23-14-12-22-32-28(40-2)16-26-18-8-4-6-10-20(18)36(38)24-13-11-21(34(32)30(24)26)31(27)33(22)29(23)25/h3-16H,1-2H3",C36H20O4,,,,,,QAYWRCZPILDEGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.390,224-628-1,4431-00-9,"5,5'-(3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylic acid)","3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)",OC(=O)C1=CC(=C(c2ccc(O)c(c2)C(=O)O)c3ccc(O)c(c3)C(=O)O)C=CC1=O,OC(=O)C1=CC(=C(c2ccc(O)c(c2)C(=O)O)c3ccc(O)c(c3)C(=O)O)C=CC1=O,"InChI=1/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)",C22H14O9,,,,,,GIXWDMTZECRIJT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.394,224-632-3,4432-31-9,2-morpholinoethanesulphonic acid,2-morpholin-4-ylethanesulfonic acid,OS(=O)(=O)CCN1CCOCC1,OS(=O)(=O)CCN1CCOCC1,"InChI=1/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)",C6H13NO4S,,,,,,SXGZJKUKBWWHRA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.411,224-651-7,4437-51-8,"Hexane-3,4-dione","hexane-3,4-dione",CCC(=O)C(=O)CC,CCC(=O)C(=O)CC,"InChI=1/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3",C6H10O2,,,,,,KVFQMAZOBTXCAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.189,218-907-7,2278-53-7,"[R-(E)]-5-isopropyl-8-methylnona-6,8-dien-2-one","5-isopropyl-8-methylnona-6,8-dien-2-one",CC(C)C(CCC(=O)C)C=CC(=C)C,CC(C)C(CCC(=O)C)C=CC(=C)C,"InChI=1/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3",C13H22O,,,,,,PQDRXUSSKFWCFA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.191,218-909-8,2279-64-3,(phenylmercurio)urea,phenyl(ureaato-kappaN)mercury,NC(=O)N[Hg]c1ccccc1,NC(=O)N[Hg]c1ccccc1,"InChI=1/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);/q;;+1/p-1/rC7H8HgN2O/c9-7(11)10-8-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11)",C7H8HgN2O,,,,,,UNQDVBLGFWIFGX-UHFFFAOYSA-M,,,,,,,,,,,
100.017.193,218-911-9,2279-96-1,Diperoxysuccinic acid,butanediperoxoic acid,OOC(=O)CCC(=O)OO,OOC(=O)CCC(=O)OO,"InChI=1/C4H6O6/c5-3(9-7)1-2-4(6)10-8/h7-8H,1-2H2",C4H6O6,,,,,,ADKBGLXGTKOWIU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.194,218-912-4,5/01/2280,N-acetyl-D-tryptophan,N-acetyl-D-tryptophan,CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)",C13H14N2O3,,,,,,DZTHIGRZJZPRDV-GFCCVEGCSA-N,,,,,,,,,,,
100.017.202,218-921-3,2284-20-0,p-methoxyphenyl isothiocyanate,1-isothiocyanato-4-methoxybenzene,COc1ccc(cc1)N=C=S,COc1ccc(cc1)N=C=S,"InChI=1/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3",C8H7NOS,,,,,,VRPQCVLBOZOYCG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.204,218-923-4,2284-36-8,"Methyl 3a,7a-diacetoxy-5ß-chol-11-en-24-oate","methyl 3,7-diacetoxychol-11-en-24-oate",COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C=C[C@]12C)OC(=O)C)OC(=O)C,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C=C[C@]12C)OC(=O)C)OC(=O)C,"InChI=1/C29H44O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h12,14,17,20-25,27H,7-11,13,15-16H2,1-6H3",C29H44O6,,,,,,CZAQECWMDFKTQA-JSWGAMEVSA-N,,,,,,,,,,,
100.017.205,218-925-5,3/12/2285,"a,a,a-trifluoro-o-tolyl isocyanate",1-isocyanato-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1N=C=O,FC(F)(F)c1ccccc1N=C=O,"InChI=1/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H",C8H4F3NO,,,,,,GZWGTVZRRFPVAS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.208,218-928-1,2288-13-3,"1-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","1-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",C[Si]12OCCN(CCO1)CCO2,C[Si]12OCCN(CCO1)CCO2,"InChI=1/C7H15NO3Si/c1-12-9-5-2-8(3-6-10-12)4-7-11-12/h2-7H2,1H3",C7H15NO3Si,,,,,,DZLQWMNVOBAZGC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.209,218-929-7,2290-65-5,Trimethylsilyl isothiocyanate,isothiocyanato(trimethyl)silane,C[Si](C)(C)N=C=S,C[Si](C)(C)N=C=S,"InChI=1/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3",C4H9NSSi,,,,,,XLTUPERVRFLGLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.210,218-930-2,2292-50-4,Dodecylmethylammonium chloride,N-methyldodecan-1-aminium chloride,[Cl-].CCCCCCCCCCCC[NH2+]C,[Cl-].CCCCCCCCCCCC[NH2+]C,"InChI=1/C13H29N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-2;/h14H,3-13H2,1-2H3;1H",C13H29N.ClH,,,,,,SVBAPZTYWZGPKN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.211,218-931-8,4/07/2293,1-(4-methoxyphenyl)thiourea,1-(4-methoxyphenyl)thiourea,COc1ccc(NC(=S)N)cc1,COc1ccc(NC(=S)N)cc1,"InChI=1/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)",C8H10N2OS,,,,,,SRYLJBWDZZMDSK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.215,218-936-5,2294-74-8,a-phenylpyridine-2-ethanol,1-phenyl-2-pyridin-2-ylethanol,OC(Cc1ccccn1)c2ccccc2,OC(Cc1ccccn1)c2ccccc2,"InChI=1/C13H13NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-9,13,15H,10H2",C13H13NO,,,,,,NPVKVVBMSCQGAS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.216,218-937-0,2294-76-0,2-pentylpyridine,2-pentylpyridine,CCCCCc1ccccn1,CCCCCc1ccccn1,"InChI=1/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3",C10H15N,,,,,,HSDXVAOHEOSTFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.225,218-947-5,2298-36-4,(p-aminophenoxy)acetic acid,(4-aminophenoxy)acetic acid,Nc1ccc(OCC(=O)O)cc1,Nc1ccc(OCC(=O)O)cc1,"InChI=1/C8H9NO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)",C8H9NO3,,,,,,GIFGMEWQGDEWKB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.770,218-446-1,2153-98-2,Norpseudoephedrine hydrochloride,2-amino-1-phenylpropan-1-ol hydrochloride,Cl.C[C@@H](N)[C@H](O)c1ccccc1,Cl.C[C@@H](N)[C@H](O)c1ccccc1,"InChI=1/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H",C9H13NO.ClH,,,,,,DYWNLSQWJMTVGJ-JXLXBRSFSA-N,,,,,,,,,,,
100.016.774,218-450-3,2155-38-6,"2-[2-[2-(oxiranylmethoxy)ethoxy]ethyl]spiro[1,3-dioxane-5,3'-[7]oxabicyclo[4.1.0]heptane]","2-{2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl}spiro[1,3-dioxane-5,3'-[7]oxabicyclo[4.1.0]heptane]",C(COCC1CO1)OCCC2OCC3(CCC4OC4C3)CO2,C(COCC1CO1)OCCC2OCC3(CCC4OC4C3)CO2,"InChI=1/C16H26O6/c1-3-16(7-14-13(1)22-14)10-20-15(21-11-16)2-4-17-5-6-18-8-12-9-19-12/h12-15H,1-11H2",C16H26O6,,,,,,AGKSHJVVKNWHOO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.776,218-452-4,2155-70-6,Tributyl(methacryloyloxy)stannane,tributyl(methacryloyloxy)stannane,CCCC[Sn](CCCC)(CCCC)OC(=O)C(=C)C,CCCC[Sn](CCCC)(CCCC)OC(=O)C(=C)C,"InChI=1/C4H6O2.3C4H9.Sn/c1-3(2)4(5)6;3*1-3-4-2;/h1H2,2H3,(H,5,6);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC16H32O2Sn/c1-6-9-12-19(13-10-7-2,14-11-8-3)18-16(17)15(4)5/h4,6-14H2,1-3,5H3",C16H32O2Sn,,,,,,LPUCKLOWOWADAC-UHFFFAOYSA-M,,,,,,,,,,,
100.022.282,224-508-9,4390-92-5,"2',4'-dihydroxybutyrophenone","1-(2,4-dihydroxyphenyl)butan-1-one",CCCC(=O)c1ccc(O)cc1O,CCCC(=O)c1ccc(O)cc1O,"InChI=1/C10H12O3/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,11,13H,2-3H2,1H3",C10H12O3,,,,,,IWADIQGGJLCBRK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.287,224-514-1,4392-98-7,a-phosphinylbenzyl alcohol,(oxophosphino)(phenyl)methanol,OC(P=O)c1ccccc1,OC(P=O)c1ccccc1,"InChI=1/C7H7O2P/c8-7(10-9)6-4-2-1-3-5-6/h1-5,7-8H",C7H9O2P,,,,,,FZFMLCXMZPZMAD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.288,224-515-7,3/09/4393,"2,3-dimethoxybenzylamine","1-(2,3-dimethoxyphenyl)methanamine",COc1cccc(CN)c1OC,COc1cccc(CN)c1OC,"InChI=1/C9H13NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6,10H2,1-2H3",C9H13NO2,,,,,,LVMPWFJVYMXSNY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.293,224-520-4,4395-65-7,1-amino-4-(phenylamino)anthraquinone,"1-amino-4-anilino-9,10-anthraquinone",Nc1ccc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,Nc1ccc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H14N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h1-11,22H,21H2",C20H14N2O2,,,,,,XUDJOVURIXHNRW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.294,224-522-5,4395-92-0,4-isopropylphenylacetaldehyde,(4-isopropylphenyl)acetaldehyde,CC(C)c1ccc(CC=O)cc1,CC(C)c1ccc(CC=O)cc1,"InChI=1/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3",C11H14O,,,,,,FSKGFRBHGXIDSA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.296,224-524-6,9/06/4396,Isopentyl octyl hydrogen phosphate,3-methylbutyl octyl hydrogen phosphate,CCCCCCCCOP(=O)(O)OCCC(C)C,CCCCCCCCOP(=O)(O)OCCC(C)C,"InChI=1/C13H29O4P/c1-4-5-6-7-8-9-11-16-18(14,15)17-12-10-13(2)3/h13H,4-12H2,1-3H3,(H,14,15)",C13H29O4P,,,,,,VKAOXRFKUSQLKG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.297,224-525-1,4396-19-4,Bis(ethylthio)methane,"1,1'-(methylenedisulfanediyl)diethane",CCSCSCC,CCSCSCC,"InChI=1/C5H12S2/c1-3-6-5-7-4-2/h3-5H2,1-2H3",C5H12S2,,,,,,RJQVVQDWHKZIHU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.301,224-529-3,4399-40-0,5-(2-methylpropyl)-3-phenyl-2-thioxoimidazolidin-4-one,5-isobutyl-3-phenyl-2-thioxoimidazolidin-4-one,CC(C)CC1NC(=S)N(C1=O)c2ccccc2,CC(C)CC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C13H16N2OS/c1-9(2)8-11-12(16)15(13(17)14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)",C13H16N2OS,,,,,,FMVWVPAXPVSWER-UHFFFAOYSA-N,,,,,,,,,,,
100.022.304,224-533-5,4399-80-8,"3-carbamoyl-2,2,5,5-tetramethylpyrrolidin-1-yloxy","1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide",CC1(C)CC(C(=O)N)C(C)(C)N1O,CC1(C)CC(C(=O)N)C(C)(C)N1O,"InChI=1/C9H18N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h6,13H,5H2,1-4H3,(H2,10,12)",C9H17N2O2,,,,,,UXDLYVBMRUIQCX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.311,224-540-3,7/12/4403,2-[2-[2-(tridecyloxy)ethoxy]ethoxy]ethanol,2-{2-[2-(tridecyloxy)ethoxy]ethoxy}ethanol,CCCCCCCCCCCCCOCCOCCOCCO,CCCCCCCCCCCCCOCCOCCOCCO,"InChI=1/C19H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21-16-18-23-19-17-22-15-13-20/h20H,2-19H2,1H3",C19H40O4,,,,,,KLFVDTRVIFNWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.314,224-544-5,4403-61-6,2-methyl-2-butenenitrile,2-methylbut-2-enenitrile,CC(=CC)C#N,CC(=CC)C#N,"InChI=1/C5H7N/c1-3-5(2)4-6/h3H,1-2H3",C5H7N,,,,,,IHXNSHZBFXGOJM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.320,224-550-8,4404-98-2,4-amino-4-methylpentan-2-ol,4-amino-4-methylpentan-2-ol,CC(O)CC(C)(C)N,CC(O)CC(C)(C)N,"InChI=1/C6H15NO/c1-5(8)4-6(2,3)7/h5,8H,4,7H2,1-3H3",C6H15NO,,,,,,GZTKJFBKAZBXIB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.063,220-969-5,2949-42-0,Tetraisopropylstannane,tetraisopropylstannane,CC(C)[Sn](C(C)C)(C(C)C)C(C)C,CC(C)[Sn](C(C)C)(C(C)C)C(C)C,"InChI=1/4C3H7.Sn/c4*1-3-2;/h4*3H,1-2H3;/rC12H28Sn/c1-9(2)13(10(3)4,11(5)6)12(7)8/h9-12H,1-8H3",C12H28Sn,,,,,,NJASUIDIZMMYED-UHFFFAOYSA-N,,,,,,,,,,,
100.019.067,220-973-7,2954-50-9,"1,2,3,4-tetrahydro-2-naphthylamine","1,2,3,4-tetrahydronaphthalen-2-amine",NC1CCc2ccccc2C1,NC1CCc2ccccc2C1,"InChI=1/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2",C10H13N,,,,,,LCGFVWKNXLRFIF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.078,220-985-2,2958-36-3,"2-amino-2',5-dichlorobenzophenone",(2-amino-5-chlorophenyl)(2-chlorophenyl)methanone,Nc1ccc(Cl)cc1C(=O)c2ccccc2Cl,Nc1ccc(Cl)cc1C(=O)c2ccccc2Cl,"InChI=1/C13H9Cl2NO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2",C13H9Cl2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18388,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.078,KWZYIAJRFJVQDO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.079,220-986-8,2958-60-3,Tetramethylterephthalaldehyde dioxime,"2,3,5,6-tetramethylterephthalaldehyde dioxime",Cc1c(C)c(\\C=N\\O)c(C)c(C)c1\\C=N\\O,Cc1c(C)c(\C=N\O)c(C)c(C)c1\C=N\O,"InChI=1/C12H16N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h5-6,15-16H,1-4H3",C12H16N2O2,,,,,,SFEKTPODPIECNA-ACFHMISVSA-N,,,,,,,,,,,
100.019.082,220-989-4,2959-75-3,Isopropyldiphenylphosphine oxide,isopropyl(diphenyl)phosphine oxide,CC(C)P(=O)(c1ccccc1)c2ccccc2,CC(C)P(=O)(c1ccccc1)c2ccccc2,"InChI=1/C15H17OP/c1-13(2)17(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3",C15H17OP,,,,,,CLPTUIWEBUOUCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.099,224-308-1,4299-60-9,"N-(3,4-dimethylisoxazol-5-yl)sulphanilamide, compound with 2,2'-iminodiethanol (1:1)","4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide - 2,2'-iminodiethanol (1:1)",Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO,"InChI=1/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2",C11H13N3O3S.C4H11NO2,,,,,,FEPTXVIRMZIGFY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.107,224-317-0,4303-88-2,"4,4-dimethyl-2-hydroxy-2-phenylmorpholinium bromide","2-hydroxy-4,4-dimethyl-2-phenylmorpholin-4-ium bromide",[Br-].C[N+]1(C)CCOC(O)(C1)c2ccccc2,[Br-].C[N+]1(C)CCOC(O)(C1)c2ccccc2,"InChI=1/C12H18NO2.BrH/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11;/h3-7,14H,8-10H2,1-2H3;1H/q+1;/p-1",C12H18NO2.Br,,,,,,VQGRNOCAQVTQAI-UHFFFAOYSA-M,,,,,,,,,,,
100.019.360,221-294-9,6/04/3058,"2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropiononitrile","3,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)dipropanenitrile",N#CCCC1OCC2(COC(CCC#N)OC2)CO1,N#CCCC1OCC2(COC(CCC#N)OC2)CO1,"InChI=1/C13H18N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-4,7-10H2",C13H18N2O4,,,,,,BNAMIPLIODPZLE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.362,221-297-5,3058-38-6,"2,4,6-trinitrobenzene-1,3,5-triamine","2,4,6-trinitrobenzene-1,3,5-triamine",Nc1c(c(N)c(c(N)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Nc1c(c(N)c(c(N)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1/C6H6N6O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h7-9H2,C6H6N6O6,,,,,,JDFUJAMTCCQARF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.368,221-304-1,3061-75-4,Docosanamide,docosanamide,CCCCCCCCCCCCCCCCCCCCCC(=O)N,CCCCCCCCCCCCCCCCCCCCCC(=O)N,"InChI=1/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)",C22H45NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10893,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.368,ORAWFNKFUWGRJG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.369,221-305-7,3061-88-9,N-L-alanyl-L-tyrosine,alanyl-L-tyrosine,C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)",C12H16N2O4,,,,,,ALZVPLKYDKJKQU-XVKPBYJWSA-N,,,,,,,,,,,
100.020.882,222-970-6,3683-14-5,3-phenylpropyl methacrylate,3-phenylpropyl methacrylate,CC(=C)C(=O)OCCCc1ccccc1,CC(=C)C(=O)OCCCc1ccccc1,"InChI=1/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,1,6,9-10H2,2H3",C13H16O2,,,,,,RXXZODOCQIRRQA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.884,222-972-7,3684-73-9,2-ethylthioisonicotinamide monohydrochloride,2-ethylpyridine-4-carbothioamide hydrochloride,Cl.CCc1cc(ccn1)C(=S)N,Cl.CCc1cc(ccn1)C(=S)N,"InChI=1/C8H10N2S.ClH/c1-2-7-5-6(8(9)11)3-4-10-7;/h3-5H,2H2,1H3,(H2,9,11);1H",C8H10N2S.ClH,,,,,,YNKSYHUKAKUZAR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.888,222-976-9,3686-58-6,Tolycaine,"methyl 2-[(N,N-diethylglycyl)amino]-3-methylbenzoate",CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC,CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC,"InChI=1/C15H22N2O3/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4/h7-9H,5-6,10H2,1-4H3,(H,16,18)",C15H22N2O3,,,,,,UDKICLZCJWQTLS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.889,222-977-4,3687-18-1,3-aminopropane-1-sulphonic acid,3-aminopropane-1-sulfonic acid,NCCCS(=O)(=O)O,NCCCS(=O)(=O)O,"InChI=1/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)",C3H9NO3S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8247,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.889,SNKZJIOFVMKAOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.891,222-980-0,3687-45-4,(Z)-octadec-9-enyl oleate,octadec-9-en-1-yl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3",C36H68O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12441,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.891,BARWIPMJPCRCTP-CLFAGFIQSA-N,,,,,,,,,,,
100.020.894,222-983-7,3687-67-0,"5-bromo-2-(9-chloro-3-oxonaphtho[1,2-b]thien-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one","5-bromo-2-(9-chloro-3-oxonaphtho[1,2-b]thiophen-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one",Brc1cc2C(=O)C(Nc2cc1)=C4Sc3c5c(Cl)cccc5ccc3C4=O,Brc1cc2C(=O)C(Nc2cc1)=C4Sc3c5c(Cl)cccc5ccc3C4=O,"InChI=1/C20H9BrClNO2S/c21-10-5-7-14-12(8-10)17(24)16(23-14)20-18(25)11-6-4-9-2-1-3-13(22)15(9)19(11)26-20/h1-8,23H",C20H9BrClNO2S,,,,,,MJURASYNFLAELQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.896,222-985-8,3687-83-0,"Sodium 4-amino-5-hydroxy-6-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-1-sulphonate","sodium 4-amino-5-hydroxy-6-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-1-sulfonate",[Na+].Oc3c(cc(cc3N=Nc2ccc1c(ccc(N)c1c2O)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O,[Na+].Oc3c(cc(cc3N=Nc2ccc1c(ccc(N)c1c2O)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C16H11N5O9S.Na/c17-9-2-4-13(31(28,29)30)8-1-3-10(16(23)14(8)9)18-19-11-5-7(20(24)25)6-12(15(11)22)21(26)27;/h1-6,22-23H,17H2,(H,28,29,30);/q;+1/p-1",C16H11N5O9S.Na,,,,,,YMFGKYYZIZXBLU-UHFFFAOYSA-M,,,,,,,,,,,
100.022.413,224-653-8,4437-80-3,"4,4-dimethyl-5-methylene-1,3-dioxolan-2-one","4,4-dimethyl-5-methylene-1,3-dioxolan-2-one",CC1(C)OC(=O)OC1=C,CC1(C)OC(=O)OC1=C,"InChI=1/C6H8O3/c1-4-6(2,3)9-5(7)8-4/h1H2,2-3H3",C6H8O3,,,,,,WUGCPRNXGBZRMC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.414,224-654-3,4438-16-8,"5-(phenylazo)toluene-3,4-diamine monohydrochloride","5-methyl-3-(phenyldiazenyl)benzene-1,2-diamine hydrochloride",Cl.Nc2c(N)cc(C)cc2N=Nc1ccccc1,Cl.Nc2c(N)cc(C)cc2N=Nc1ccccc1,"InChI=1/C13H14N4.ClH/c1-9-7-11(14)13(15)12(8-9)17-16-10-5-3-2-4-6-10;/h2-8H,14-15H2,1H3;1H",C13H14N4.ClH,,,,,,AVVHYOUKSPXISZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.423,224-664-8,4441-57-0,Cyclohexylbutan-1-ol,4-cyclohexylbutan-1-ol,OCCCCC1CCCCC1,OCCCCC1CCCCC1,"InChI=1/C10H20O/c11-9-5-4-8-10-6-2-1-3-7-10/h10-11H,1-9H2",C10H20O,,,,,,NZEBWPHHIQAVOH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.425,224-666-9,4442-12-0,"(5ß)-3ß,12ß,14-trihydroxycardanolide","3,12,14-trihydroxycardanolide",C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)[C@@H]5COC(=O)C5,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)[C@@H]5COC(=O)C5,"InChI=1/C23H36O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h13-19,24-25,27H,3-12H2,1-2H3",C23H36O5,,,,,,MWPLZPAHTHIKQB-YNFYBLEISA-N,,,,,,,,,,,
100.020.073,222-079-2,3338-24-7,"Sodium O,O-diethyl dithiophosphate","sodium O,O-diethyl dithiophosphate",[Na+].CCOP(=S)([S-])OCC,[Na+].CCOP(=S)([S-])OCC,"InChI=1/C4H11O2PS2.Na/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1",C4H11O2PS2.Na,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11566,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.073,ZKDDJTYSFCWVGS-UHFFFAOYSA-M,,,,,,,,,,,
100.020.075,222-081-3,3338-55-4,"(Z)-3,7-dimethylocta-1,3,6,-triene","3,7-dimethylocta-1,3,6-triene",CC(=CCC=C(C)C=C)C,CC(=CCC=C(C)C=C)C,"InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3",C10H16,,,,,,IHPKGUQCSIINRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.076,222-082-9,5/11/3339,Tolpropamine hydrochloride,"N,N-dimethyl-3-(4-methylphenyl)-3-phenylpropan-1-amine hydrochloride",Cl.CN(C)CCC(c1ccccc1)c2ccc(C)cc2,Cl.CN(C)CCC(c1ccccc1)c2ccc(C)cc2,"InChI=1/C18H23N.ClH/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H",C18H23N.ClH,,,,,,NKTYRULGQCXXSI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.077,222-083-4,3339-73-9,"1,3-dihydro-1,3-dioxo-2H-isoindole-2-propionic acid","3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid",OC(=O)CCN1C(=O)c2ccccc2C1=O,OC(=O)CCN1C(=O)c2ccccc2C1=O,"InChI=1/C11H9NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h1-4H,5-6H2,(H,13,14)",C11H9NO4,,,,,,DXXHRZUOTPMGEH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.080,222-087-6,3343-24-6,11-phenylundecanoic acid,11-phenylundecanoic acid,OC(=O)CCCCCCCCCCc1ccccc1,OC(=O)CCCCCCCCCCc1ccccc1,"InChI=1/C17H26O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,18,19)",C17H26O2,,,,,,AUQIXRHHSITZFM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.089,222-097-0,3345-50-4,"2,5-dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide","2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxamide",NC(=O)N1C(=O)C=CC1=O,NC(=O)N1C(=O)C=CC1=O,"InChI=1/C5H4N2O3/c6-5(10)7-3(8)1-2-4(7)9/h1-2H,(H2,6,10)",C5H4N2O3,,,,,,BNPFHEFZJPVCCE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.090,222-098-6,3347-22-6,Dithianon,"5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile",O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13,O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13,InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H,C14H4N2O2S2,,,,,,PYZSVQVRHDXQSL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.093,222-101-0,2/06/3349,Nickel diformate,nickel(2+) diformate,[Ni+2].[O-]C=O.[O-]C=O,[Ni+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Ni/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.1/2Ni,,,,,,HZPNKQREYVVATQ-UHFFFAOYSA-L,,,,,,,,,,,
100.020.102,222-111-5,1/05/3351,Sodium 8-phenylamino-5-(4-(3-sulphonatophenylazo)-1-naphthylazo)naphthalenesulphonate,disodium 8-anilino-5-({4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45,"InChI=1/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C32H23N5O6S2.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13261,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.102,XPRMZBUQQMPKCR-UHFFFAOYSA-L,,,,,,,,,,,
100.020.103,222-112-0,3351-28-8,1-methylchrysene,1-methylchrysene,Cc1cccc2c1ccc3c4ccccc4ccc23,Cc1cccc2c1ccc3c4ccccc4ccc23,"InChI=1/C19H14/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18/h2-12H,1H3",C19H14,,,,,,LQKGSLMFGWWLIU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.109,222-118-3,3352-87-2,"N,N-diethyldodecanamide","N,N-diethyldodecanamide",CCCCCCCCCCCC(=O)N(CC)CC,CCCCCCCCCCCC(=O)N(CC)CC,"InChI=1/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3",C16H33NO,,,,,,CWNSVVHTTQBGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.782,218-459-2,2155-96-6,Diphenylvinylphosphine,diphenyl(vinyl)phosphine,C=CP(c1ccccc1)c2ccccc2,C=CP(c1ccccc1)c2ccccc2,"InChI=1/C14H13P/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12H,1H2",C14H13P,,,,,,AJVBXLXLODZUME-UHFFFAOYSA-N,,,,,,,,,,,
100.016.784,218-461-3,2156-56-1,Sodium dichloroacetate,sodium dichloroacetate,[Na+].[O-]C(=O)C(Cl)Cl,[Na+].[O-]C(=O)C(Cl)Cl,"InChI=1/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1",C2H2Cl2O2.Na,,,,,,LUPNKHXLFSSUGS-UHFFFAOYSA-M,,,,,,,,,,,
100.016.786,218-463-4,2156-97-0,Dodecyl acrylate,dodecyl acrylate,CCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCOC(=O)C=C,"InChI=1/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3",C15H28O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15805,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.786,PBOSTUDLECTMNL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.792,218-470-2,2157-45-1,Tetrakis(2-methoxyethyl) orthosilicate,tetrakis(2-methoxyethyl) orthosilicate,COCCO[Si](OCCOC)(OCCOC)OCCOC,COCCO[Si](OCCOC)(OCCOC)OCCOC,"InChI=1/C12H28O8Si/c1-13-5-9-17-21(18-10-6-14-2,19-11-7-15-3)20-12-8-16-4/h5-12H2,1-4H3",C12H28O8Si,,,,,,JSECNWXDEZOMPD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.794,218-472-3,2157-56-4,"Pentane-2,4-dione dioxime","pentane-2,4-dione dioxime",CC(=NO)CC(C)=NO,CC(=NO)CC(C)=NO,"InChI=1/C5H10N2O2/c1-4(6-8)3-5(2)7-9/h8-9H,3H2,1-2H3",C5H10N2O2,,,,,,WBRYLZHYOFBTPD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.797,218-476-5,4/03/2158,Piperidine-1-carboxamide,piperidine-1-carboxamide,NC(=O)N1CCCCC1,NC(=O)N1CCCCC1,"InChI=1/C6H12N2O/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)",C6H12N2O,,,,,,JSPCTNUQYWIIOT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.803,218-482-8,2161-85-5,"1,1'-(4,6-dihydroxy-1,3-phenylene)bisethan-1-one","1,1'-(4,6-dihydroxy-1,3-phenylene)diethanone",CC(=O)c1cc(C(=O)C)c(O)cc1O,CC(=O)c1cc(C(=O)C)c(O)cc1O,"InChI=1/C10H10O4/c1-5(11)7-3-8(6(2)12)10(14)4-9(7)13/h3-4,13-14H,1-2H3",C10H10O4,,,,,,GEYCQLIOGQPPFM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.806,218-485-4,2162-73-4,"2,4,6-triisopropyl-m-phenylene diisocyanate","2,4-diisocyanato-1,3,5-triisopropylbenzene",CC(C)c1cc(C(C)C)c(N=C=O)c(C(C)C)c1N=C=O,CC(C)c1cc(C(C)C)c(N=C=O)c(C(C)C)c1N=C=O,"InChI=1/C17H22N2O2/c1-10(2)13-7-14(11(3)4)17(19-9-21)15(12(5)6)16(13)18-8-20/h7,10-12H,1-6H3",C17H22N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10639,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.806,AZAKSPACDDRBQB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.518,223-668-7,4015-16-1,"1,3,5-tripropyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tripropyl-1,3,5-triazinane-2,4,6-trione",CCCN1C(=O)N(CCC)C(=O)N(CCC)C1=O,CCCN1C(=O)N(CCC)C(=O)N(CCC)C1=O,"InChI=1/C12H21N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-9H2,1-3H3",C12H21N3O3,,,,,,OFHWSHGIZXHMJP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.519,223-669-2,4015-75-2,Trichloromethoxytitanium,(trichloromethanolato-kappaO)titanium(1+),ClC(Cl)(Cl)O[Ti+],ClC(Cl)(Cl)O[Ti+],"InChI=1/CCl3O.Ti/c2-1(3,4)5;/q-1;+2/rCCl3OTi/c2-1(3,4)5-6/q+1",CH3Cl3OTi,,,,,,LYJVPYADPRXZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.521,223-671-3,9/11/4016,(ethoxymethyl)oxirane,2-(ethoxymethyl)oxirane,CCOCC1CO1,CCOCC1CO1,"InChI=1/C5H10O2/c1-2-6-3-5-4-7-5/h5H,2-4H2,1H3",C5H10O2,,,,,,HQCSZRIVJVOYSU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.523,223-673-4,4016-21-1,Sodium 1-methyl 2-sulphonatododecanoate,sodium 1-methoxy-1-oxododecane-2-sulfonate,[Na+].CCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-],"InChI=1/C13H26O5S.Na/c1-3-4-5-6-7-8-9-10-11-12(13(14)18-2)19(15,16)17;/h12H,3-11H2,1-2H3,(H,15,16,17);/q;+1/p-1",C13H26O5S.Na,,,,,,DNCZMGOTDKJANE-UHFFFAOYSA-M,,,,,,,,,,,
100.021.530,223-681-8,4017-89-4,"[1R-(1a,3a,4a,6a)]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",CC1CC2C(CC1O)C2(C)C,CC1CC2C(CC1O)C2(C)C,"InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,WHXOMZVLSNHION-UHFFFAOYSA-N,,,,,,,,,,,
100.021.533,223-684-4,4023-34-1,Cyclopropanecarbonyl chloride,cyclopropanecarbonyl chloride,ClC(=O)C1CC1,ClC(=O)C1CC1,"InChI=1/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2",C4H5ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11347,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.533,ZOOSILUVXHVRJE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.539,223-691-2,4024-34-4,2-[(p-methyl-a-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride,"N,N-dimethyl-2-[(4-methylphenyl)(phenyl)methoxy]ethanaminium chloride",[Cl-].C[NH+](C)CCOC(c1ccccc1)c2ccc(C)cc2,[Cl-].C[NH+](C)CCOC(c1ccccc1)c2ccc(C)cc2,"InChI=1/C18H23NO.ClH/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H",C18H23NO.ClH,,,,,,BNFDLGUZDIWYJK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.553,223-707-8,4028-30-2,"Disodium 4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-phenoxy-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].OCCNc1nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(NCCO)nc(Oc5ccccc5)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(Oc6ccccc6)n1,[Na+].[Na+].OCCNc1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(NCCO)nc(Oc5ccccc5)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(Oc6ccccc6)n1,"InChI=1/C36H34N10O10S2.2Na/c47-19-17-37-31-41-33(45-35(43-31)55-27-7-3-1-4-8-27)39-25-15-13-23(29(21-25)57(49,50)51)11-12-24-14-16-26(22-30(24)58(52,53)54)40-34-42-32(38-18-20-48)44-36(46-34)56-28-9-5-2-6-10-28;;/h1-16,21-22,47-48H,17-20H2,(H,49,50,51)(H,52,53,54)(H2,37,39,41,43,45)(H2,38,40,42,44,46);;/q;2*+1/p-2",C36H34N10O10S2.2Na,,,,,,IJVZUJDAVFNLHY-YHPRVSEPSA-L,,,,,,,,,,,
100.019.094,221-003-5,2965-52-8,Bis[2-[N-ethyl(heptadecafluorooctanesulphonyl)amino]ethyl] hydrogen phosphate,bis(2-{ethyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl) hydrogen phosphate,CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C24H19F34N2O8PS2/c1-3-59(70(63,64)23(55,56)19(45,46)15(37,38)11(29,30)9(25,26)13(33,34)17(41,42)21(49,50)51)5-7-67-69(61,62)68-8-6-60(4-2)71(65,66)24(57,58)20(47,48)16(39,40)12(31,32)10(27,28)14(35,36)18(43,44)22(52,53)54/h3-8H2,1-2H3,(H,61,62)",C24H19F34N2O8PS2,,,,,,BZZAKKWGRKFWJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.096,221-005-6,2969-81-5,Ethyl 4-bromobutyrate,ethyl 4-bromobutanoate,CCOC(=O)CCCBr,CCOC(=O)CCCBr,"InChI=1/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3",C6H11BrO2,,,,,,XBPOBCXHALHJFP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.097,221-006-1,2970-26-5,N-butyl-8-hydroxy-5-methylnaphthalene-1-sulphonamide,N-butyl-8-hydroxy-5-methylnaphthalene-1-sulfonamide,CCCCNS(=O)(=O)c1cccc2c(C)ccc(O)c12,CCCCNS(=O)(=O)c1cccc2c(C)ccc(O)c12,"InChI=1/C15H19NO3S/c1-3-4-10-16-20(18,19)14-7-5-6-12-11(2)8-9-13(17)15(12)14/h5-9,16-17H,3-4,10H2,1-2H3",C15H19NO3S,,,,,,UIOIASSGJKTELU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.098,221-007-7,2971-22-4,"1,1'-(2,2,2-trichloroethylidene)dibenzene","1,1'-(2,2,2-trichloroethane-1,1-diyl)dibenzene",ClC(Cl)(Cl)C(c1ccccc1)c2ccccc2,ClC(Cl)(Cl)C(c1ccccc1)c2ccccc2,"InChI=1/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H",C14H11Cl3,,,,,,ZADGQTHIZZOKGE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.100,221-009-8,2/01/2972,Cyclodecaneone oxime,cyclodecanone oxime,ON=C1CCCCCCCCC1,ON=C1CCCCCCCCC1,"InChI=1/C10H19NO/c12-11-10-8-6-4-2-1-3-5-7-9-10/h12H,1-9H2",C10H19NO,,,,,,KUVPEPZUXRFFOD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.102,221-011-9,6/10/2973,Diisopropyl sulphate,diisopropyl sulfate,CC(C)OS(=O)(=O)OC(C)C,CC(C)OS(=O)(=O)OC(C)C,"InChI=1/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",C6H14O4S,,,,,,HWBLTYHIEYOAOL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.113,218-823-0,2243-89-2,"2,4,6-trimethylquinoline","2,4,6-trimethylquinoline",Cc1ccc2nc(C)cc(C)c2c1,Cc1ccc2nc(C)cc(C)c2c1,"InChI=1/C12H13N/c1-8-4-5-12-11(6-8)9(2)7-10(3)13-12/h4-7H,1-3H3",C12H13N,,,,,,ZXGXGZGKWSUMJK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.116,218-826-7,7/07/2244,Undecanonitrile,undecanenitrile,CCCCCCCCCCC#N,CCCCCCCCCCC#N,"InChI=1/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3",C11H21N,,,,,,SZKKNEOUHLFYNA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.117,218-827-2,2244-16-8,(S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one,5-isopropenyl-2-methylcyclohex-2-en-1-one,CC(=C)[C@H]1CC=C(C)C(=O)C1,CC(=C)[C@H]1CC=C(C)C(=O)C1,"InChI=1/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3",C10H14O,,,,,,ULDHMXUKGWMISQ-VIFPVBQESA-N,,,,,,,,,,,
100.017.121,218-831-4,2245-30-9,tert-butyloxirane,2-tert-butyloxirane,CC(C)(C)C1CO1,CC(C)(C)C1CO1,"InChI=1/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3",C6H12O,,,,,,HEAYDCIZOFDHRM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.122,218-833-5,2245-38-7,"1,6,7-trimethylnaphthalene","1,6,7-trimethylnaphthalene",Cc1cc2cccc(C)c2cc1C,Cc1cc2cccc(C)c2cc1C,"InChI=1/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3",C13H14,,,,,,JBXULKRNHAQMAS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.636,220-499-0,2785-87-7,2-methoxy-4-propylphenol,2-methoxy-4-propylphenol,CCCc1ccc(O)c(OC)c1,CCCc1ccc(O)c(OC)c1,"InChI=1/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3",C10H14O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18941,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.636,PXIKRTCSSLJURC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.637,220-500-4,2785-89-9,4-ethylguaiacol,4-ethyl-2-methoxyphenol,CCc1ccc(O)c(OC)c1,CCc1ccc(O)c(OC)c1,"InChI=1/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3",C9H12O2,,,,,,CHWNEIVBYREQRF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.638,220-502-5,2785-97-9,"(2,6-dimethoxyphenyl)lithium","(2,6-dimethoxyphenyl)lithium",[Li]c1c(OC)cccc1OC,[Li]c1c(OC)cccc1OC,"InChI=1/C8H9O2.Li/c1-9-7-4-3-5-8(6-7)10-2;/h3-5H,1-2H3;/rC8H9LiO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3",C8H9LiO2,,,,,,CWBYDEZPTKOCLA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.640,220-504-6,4/07/2786,2-thienyllithium,2-thienyllithium,[Li]c1cccs1,[Li]c1cccs1,InChI=1/C4H3S.Li/c1-2-4-5-3-1;/h1-3H;/rC4H3LiS/c5-4-2-1-3-6-4/h1-3H,C4H3LiS,,,,,,LNMZIBGBEOKNEI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.646,220-510-9,2786-85-8,4-[(5-chloro-o-tolyl)azo]-3-hydroxy-2-naphtho-o-toluidide,4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide,Cc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(Cl)ccc4C)c2O,Cc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(Cl)ccc4C)c2O,"InChI=1/C25H20ClN3O2/c1-15-7-3-6-10-21(15)27-25(31)20-13-17-8-4-5-9-19(17)23(24(20)30)29-28-22-14-18(26)12-11-16(22)2/h3-14,30H,1-2H3,(H,27,31)",C25H20ClN3O2,,,,,,FVCHXOWNCNHXHX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.654,220-519-8,2789-44-8,Cyclohexyl p-tolyl ketone,cyclohexyl(4-methylphenyl)methanone,Cc1ccc(cc1)C(=O)C2CCCCC2,Cc1ccc(cc1)C(=O)C2CCCCC2,"InChI=1/C14H18O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3",C14H18O,,,,,,NFZZBMGYMUGQBI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.898,222-987-9,3688-62-8,"Bis[N,N,N',N'-tetramethyl-3-(10H-phenothiazin-10-yl)propane-1,3-diamine] fumarate","N,N,N',N'-tetramethyl-1-(10H-phenothiazin-10-yl)propane-1,3-diamine but-2-enedioate (2:1)",CN(C)CCC(N(C)C)N1c2ccccc2Sc3ccccc13.CN(C)CCC(N(C)C)N4c5ccccc5Sc6ccccc46.OC(=O)\\C=C\\C(=O)O,CN(C)CCC(N(C)C)N1c2ccccc2Sc3ccccc13.CN(C)CCC(N(C)C)N4c5ccccc5Sc6ccccc46.OC(=O)\C=C\C(=O)O,"InChI=1/2C19H25N3S.C4H4O4/c2*1-20(2)14-13-19(21(3)4)22-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)22;5-3(6)1-2-4(7)8/h2*5-12,19H,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)",C19H25N3S.1/2C4H4O4,,,,,,SVVJSUKDBHMRKO-WXXKFALUSA-N,,,,,,,,,,,
100.020.899,222-988-4,3688-65-1,Codeine N-oxide,"9-methoxy-3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinolin-7-ol 3-oxide",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)[O-],COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)[O-],"InChI=1/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",C18H21NO4,,,,,,BDLSDHWCOJPHIE-YMVRPXFZSA-N,,,,,,,,,,,
100.020.902,222-992-6,3688-79-7,3-methoxy-7H-benz[de]anthracen-7-one,3-methoxy-7H-benzo[de]anthracen-7-one,COc1ccc2c3ccccc3C(=O)c4cccc1c24,COc1ccc2c3ccccc3C(=O)c4cccc1c24,"InChI=1/C18H12O2/c1-20-16-10-9-12-11-5-2-3-6-13(11)18(19)15-8-4-7-14(16)17(12)15/h2-10H,1H3",C18H12O2,,,,,,BGQDCDRDPCVLJE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.903,222-993-1,3688-92-4,"Disodium 4-[(o-arsonophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate","disodium 4-[(2-arsonophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].O[As](O)(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].O[As](O)(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H13AsN2O10S2.2Na,,,,,,DCSRPHQBFSYJNN-UHFFFAOYSA-L,,,,,,,,,,,
100.020.904,222-994-7,3689-20-1,3-hydroxy-4'-methoxy-2'-methyl-2-naphthanilide,3-hydroxy-N-(4-methoxy-2-methylphenyl)-2-naphthamide,COc1ccc(NC(=O)c2cc3ccccc3cc2O)c(C)c1,COc1ccc(NC(=O)c2cc3ccccc3cc2O)c(C)c1,"InChI=1/C19H17NO3/c1-12-9-15(23-2)7-8-17(12)20-19(22)16-10-13-5-3-4-6-14(13)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)",C19H17NO3,,,,,,BPLTYDPIHLNUAR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.740,217-314-0,1809-10-5,3-bromopentane,3-bromopentane,CCC(Br)CC,CCC(Br)CC,"InChI=1/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3",C5H11Br,,,,,,VTOQFOCYBTVOJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.749,217-324-5,1812-50-6,2-methylhexane-2-thiol,2-methylhexane-2-thiol,CCCCC(C)(C)S,CCCCC(C)(C)S,"InChI=1/C7H16S/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3",C7H16S,,,,,,VLZUBQRSSRDWOK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.875,216-361-4,1564-71-2,1-amino-2-bromo-4-(phenylamino)anthraquinone,"1-amino-4-anilino-2-bromo-9,10-anthraquinone",Nc1c(Br)cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Br)cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13BrN2O2/c21-14-10-15(23-11-6-2-1-3-7-11)16-17(18(14)22)20(25)13-9-5-4-8-12(13)19(16)24/h1-10,23H,22H2",C20H13BrN2O2,,,,,,BMIJUARACLJZMP-UHFFFAOYSA-N,,,,,,,,,,,
100.014.876,216-363-5,1565-17-9,4-acetylbenzenesulphonamide,4-acetylbenzenesulfonamide,CC(=O)c1ccc(cc1)S(=O)(=O)N,CC(=O)c1ccc(cc1)S(=O)(=O)N,"InChI=1/C8H9NO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)",C8H9NO3S,,,,,,CSATVXJBGFVJES-UHFFFAOYSA-N,,,,,,,,,,,
100.014.882,216-369-8,1567-75-5,Methyl 1-methylcyclopropyl ketone,1-(1-methylcyclopropyl)ethanone,CC(=O)C1(C)CC1,CC(=O)C1(C)CC1,"InChI=1/C6H10O/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3",C6H10O,,,,,,OQBCJXUAQQMTRW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.884,216-371-9,1568-11-2,Cinnamaldehyde azine,bis(3-phenylprop-2-en-1-ylidene)hydrazine,C(=Cc1ccccc1)C=NN=CC=Cc2ccccc2,C(=Cc1ccccc1)C=NN=CC=Cc2ccccc2,InChI=1/C18H16N2/c1-3-9-17(10-4-1)13-7-15-19-20-16-8-14-18-11-5-2-6-12-18/h1-16H,C18H16N2,,,,,,MIBXLDBZXACZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.888,216-376-6,1569-50-2,Pent-3-en-2-ol,pent-3-en-2-ol,CC(O)C=CC,CC(O)C=CC,"InChI=1/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3",C5H10O,,,,,,GJYMQFMQRRNLCY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.890,216-378-7,1569-69-3,Cyclohexanethiol,cyclohexanethiol,SC1CCCCC1,SC1CCCCC1,"InChI=1/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",C6H12S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10381,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.890,CMKBCTPCXZNQKX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.902,216-391-8,1572-52-7,2-methyleneglutaronitrile,2-methylenepentanedinitrile,C=C(CCC#N)C#N,C=C(CCC#N)C#N,InChI=1/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2,C6H6N2,,,,,,NGCJVMZXRCLPRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.904,216-393-9,1572-99-2,Ethyl 2-cyanopropionate,ethyl 2-cyanopropanoate,CCOC(=O)C(C)C#N,CCOC(=O)C(C)C#N,"InChI=1/C6H9NO2/c1-3-9-6(8)5(2)4-7/h5H,3H2,1-2H3",C6H9NO2,,,,,,MIHRVXYXORIINI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.905,216-394-4,1573-17-7,"But-2-yne-1,4-diyl diacetate","but-2-yne-1,4-diyl diacetate",CC(=O)OCC#CCOC(=O)C,CC(=O)OCC#CCOC(=O)C,"InChI=1/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H3",C8H10O4,,,,,,TVIMIQVBDDNCCR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.909,216-399-1,1574-33-0,3-methylpent-3-en-1-yne,3-methylpent-3-en-1-yne,C#CC(C)=CC,C#CC(C)=CC,"InChI=1/C6H8/c1-4-6(3)5-2/h1,5H,2-3H3",C6H8,,,,,,GRGVQLWQXHFRHO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.914,216-404-7,1575-74-2,2-methylpent-4-en-1-oic acid,2-methylpent-4-enoic acid,CC(CC=C)C(=O)O,CC(CC=C)C(=O)O,"InChI=1/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)",C6H10O2,,,,,,HVRZYSHVZOELOH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.111,222-120-4,6/12/3353,4-methylpyrene,4-methylpyrene,Cc1cc2cccc3ccc4cccc1c4c23,Cc1cc2cccc3ccc4cccc1c4c23,"InChI=1/C17H12/c1-11-10-14-6-2-4-12-8-9-13-5-3-7-15(11)17(13)16(12)14/h2-10H,1H3",C17H12,,,,,,IXAFAYIIDHDJHN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.112,222-122-5,3353-33-1,Guanylyl-(3'<U+2192>5')-guanosine,-,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4C(O)C(OC4CO)n5cnc6C(=O)NC(=Nc56)N)C(O)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4C(O)C(OC4CO)n5cnc6C(=O)NC(=Nc56)N)C(O)C3O)C(=O)N1,"InChI=1/C20H25N10O12P/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-10(33)9(32)6(41-17)2-39-43(37,38)42-12-5(1-31)40-18(11(12)34)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H3,21,25,27,35)(H3,22,26,28,36)",C20H25N10O12P,,,,,,MNXLMHSUERRXOE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.011,220-911-9,2935-63-9,"2,3-xylyloxyacetic acid","(2,3-dimethylphenoxy)acetic acid",Cc1cccc(OCC(=O)O)c1C,Cc1cccc(OCC(=O)O)c1C,"InChI=1/C10H12O3/c1-7-4-3-5-9(8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",C10H12O3,,,,,,AVDBMBYECMTQJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.019,220-920-8,2937-60-2,"m-xylene-4,a,a'-triol","2,4-bis(hydroxymethyl)phenol",OCc1ccc(O)c(CO)c1,OCc1ccc(O)c(CO)c1,"InChI=1/C8H10O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,9-11H,4-5H2",C8H10O3,,,,,,HOPGWDUYWPMYFB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.020,220-921-3,2937-61-3,"2-hydroxybenzene-1,3,5-trimethanol","2,4,6-tris(hydroxymethyl)phenol",OCc1cc(CO)c(O)c(CO)c1,OCc1cc(CO)c(O)c(CO)c1,"InChI=1/C9H12O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-2,10-13H,3-5H2",C9H12O4,,,,,,LSYXXLMBRSSBGS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.028,220-930-2,2941-71-1,"2,6-dimethylbenzothiazole","2,6-dimethyl-1,3-benzothiazole",Cc1ccc2nc(C)sc2c1,Cc1ccc2nc(C)sc2c1,"InChI=1/C9H9NS/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2H3",C9H9NS,,,,,,JEKCSLMWKCKDCC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.032,220-934-4,2942-42-9,7-nitro-1H-indazole,7-nitro-2H-indazole,[O-][N+](=O)c1cccc2c[nH]nc12,[O-][N+](=O)c1cccc2c[nH]nc12,"InChI=1/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)",C7H5N3O2,,,,,,PQCAUHUKTBHUSA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.034,220-937-0,2942-59-8,2-chloronicotinic acid,2-chloronicotinic acid,OC(=O)c1cccnc1Cl,OC(=O)c1cccnc1Cl,"InChI=1/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)",C6H4ClNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11940,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.034,IBRSSZOHCGUTHI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.036,220-939-1,2943-70-6,"1,3-bis(dichloromethyl)-1,1,3,3-tetramethyldisiloxane","1,3-bis(dichloromethyl)-1,1,3,3-tetramethyldisiloxane",C[Si](C)(O[Si](C)(C)C(Cl)Cl)C(Cl)Cl,C[Si](C)(O[Si](C)(C)C(Cl)Cl)C(Cl)Cl,"InChI=1/C6H14Cl4OSi2/c1-12(2,5(7)8)11-13(3,4)6(9)10/h5-6H,1-4H3",C6H14Cl4OSi2,,,,,,YMDCHYWOAHMASL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.038,220-941-2,2943-75-1,Triethoxyoctylsilane,triethoxy(octyl)silane,CCCCCCCC[Si](OCC)(OCC)OCC,CCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3",C14H32O3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14592,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.038,MSRJTTSHWYDFIU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.041,220-944-9,2944-19-6,1-[(4-methylphenyl)amino]anthraquinone,"1-[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1,Cc1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C21H15NO2/c1-13-9-11-14(12-10-13)22-18-8-4-7-17-19(18)21(24)16-6-3-2-5-15(16)20(17)23/h2-12,22H,1H3",C21H15NO2,,,,,,LMJVMVCQHQVJDB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.051,220-955-9,2945-96-2,Sodium 6-amino-3-[[4-[(4-aminophenyl)azo]-4-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonate,"sodium 6-amino-3-({4-[(4-aminophenyl)diazenyl]-4-methoxy-3-methylcyclohexa-2,5-dien-1-yl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].C\\C4=C\\C(N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O)\\C=C/C4(OC)N=Nc3ccc(N)cc3,[Na+].C\C4=C\C(N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O)\C=C/C4(OC)N=Nc3ccc(N)cc3,"InChI=1/C24H24N6O5S.Na/c1-14-11-19(9-10-24(14,35-2)30-28-18-7-5-16(25)6-8-18)27-29-22-21(36(32,33)34)12-15-3-4-17(26)13-20(15)23(22)31;/h3-13,19,31H,25-26H2,1-2H3,(H,32,33,34);/q;+1/p-1",C24H22N6O5S.Na,,,,,,VDGVFCUGCYHUSO-UHFFFAOYSA-M,,,,,,,,,,,
100.019.052,220-956-4,2946-17-0,5-methoxy-2-methylbenzoselenazole,"5-methoxy-2-methyl-1,3-benzoselenazole",COc1ccc2[Se]C(=Nc2c1)C,COc1ccc2[Se]C(=Nc2c1)C,"InChI=1/C9H9NOSe/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3",C9H9NOSe,,,,,,LVIYTMFDCXRSDL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.058,220-963-2,2947-61-7,p-tolylacetonitrile,(4-methylphenyl)acetonitrile,Cc1ccc(CC#N)cc1,Cc1ccc(CC#N)cc1,"InChI=1/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3",C9H9N,,,,,,RNHKXHKUKJXLAU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.057,218-761-4,2227-13-6,Tetrasul,"1,2,4-trichloro-5-[(4-chlorophenyl)sulfanyl]benzene",Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1,Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1,InChI=1/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H,C12H6Cl4S,,,,,,QUWSDLYBOVGOCW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.066,218-771-9,8/08/2232,1-(p-toluenesulphonyl)imidazole,1-[(4-methylphenyl)sulfonyl]-1H-imidazole,Cc1ccc(cc1)S(=O)(=O)n2ccnc2,Cc1ccc(cc1)S(=O)(=O)n2ccnc2,"InChI=1/C10H10N2O2S/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12/h2-8H,1H3",C10H10N2O2S,,,,,,YJYMYJRAQYREBT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.071,218-777-1,2/06/2234,Dichlorodiphenoxytitanium,titanium(4+) dichloride bisphenolate,Cl[Ti](Cl)(Oc1ccccc1)Oc2ccccc2,Cl[Ti](Cl)(Oc1ccccc1)Oc2ccccc2,"InChI=1/2C6H6O.2ClH.Ti/c2*7-6-4-2-1-3-5-6;;;/h2*1-5,7H;2*1H;/q;;;;+4/p-4/rC12H10Cl2O2Ti/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H",C12H10Cl2O2Ti,,,,,,BCRPRYVGWGKIEQ-UHFFFAOYSA-J,,,,,,,,,,,
100.021.554,223-708-3,4028-32-4,"Disodium 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].OCCN(CCO)c1nc(Cl)nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(Cl)nc(n4)N(CCO)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,[Na+].[Na+].OCCN(CCO)c1nc(Cl)nc(Nc2ccc(\C=C\c3ccc(Nc4nc(Cl)nc(n4)N(CCO)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,"InChI=1/C28H32Cl2N10O10S2.2Na/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44;;/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38);;/q;2*+1/p-2",C28H32Cl2N10O10S2.2Na,,,,,,HAHRMQHHDYEVCF-SEPHDYHBSA-L,,,,,,,,,,,
100.021.555,223-709-9,4028-63-1,2-iodomesitylene,"2-iodo-1,3,5-trimethylbenzene",Cc1cc(C)c(I)c(C)c1,Cc1cc(C)c(I)c(C)c1,"InChI=1/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3",C9H11I,,,,,,GTPNXFKONRIHRW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.558,223-713-0,4029-25-8,"Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate","ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate",CCOC(=O)C1C(=O)CC(=O)CC1(C)C,CCOC(=O)C1C(=O)CC(=O)CC1(C)C,"InChI=1/C11H16O4/c1-4-15-10(14)9-8(13)5-7(12)6-11(9,2)3/h9H,4-6H2,1-3H3",C11H16O4,,,,,,JJDDNDUPYSEUHP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.560,223-715-1,4032-80-8,Di-o-tolyl disulphide,"1,1'-disulfanediylbis(2-methylbenzene)",Cc1ccccc1SSc2ccccc2C,Cc1ccccc1SSc2ccccc2C,"InChI=1/C14H14S2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h3-10H,1-2H3",C14H14S2,,,,,,ZSSCTTQONPHGRA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.185,222-203-5,3386-00-3,"17-hydroxypregn-5-ene-3,20-dione cyclic bis(ethylene acetal)","10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol",CC12CCC3(CC1=CCC4C2CCC5(C)C4CCC5(O)C6(C)OCCO6)OCCO3,CC12CCC3(CC1=CCC4C2CCC5(C)C4CCC5(O)C6(C)OCCO6)OCCO3,"InChI=1/C25H38O5/c1-21-10-11-24(29-14-15-30-24)16-17(21)4-5-18-19(21)6-8-22(2)20(18)7-9-25(22,26)23(3)27-12-13-28-23/h4,18-20,26H,5-16H2,1-3H3",C25H38O5,,,,,,KARXFOGOCKEIEE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.196,222-215-0,1/02/3388,"2-vinylspiro[1,3-dioxane-5,3'-[7]oxabicyclo[4.1.0]heptane]","2-vinylspiro[1,3-dioxane-5,3'-[7]oxabicyclo[4.1.0]heptane]",C=CC1OCC2(CCC3OC3C2)CO1,C=CC1OCC2(CCC3OC3C2)CO1,"InChI=1/C11H16O3/c1-2-10-12-6-11(7-13-10)4-3-8-9(5-11)14-8/h2,8-10H,1,3-7H2",C11H16O3,,,,,,BRGMVDIKNKICJS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.197,222-216-6,2/03/3388,"2-(7-oxabicyclo[4.1.0]hept-3-yl)spiro[1,3-dioxane-5,3'-[7]oxabicyclo[4.1.0]heptane]","2-(7-oxabicyclo[4.1.0]hept-3-yl)spiro[1,3-dioxane-5,3'-[7]oxabicyclo[4.1.0]heptane]",C1CC2OC2CC1C3OCC4(CCC5OC5C4)CO3,C1CC2OC2CC1C3OCC4(CCC5OC5C4)CO3,"InChI=1/C15H22O4/c1-2-10-12(18-10)5-9(1)14-16-7-15(8-17-14)4-3-11-13(6-15)19-11/h9-14H,1-8H2",C15H22O4,,,,,,QHOMCUUGNPEUCT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.199,222-218-7,3388-72-5,"2-(heptadec-8-enyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate","2-heptadec-8-en-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium acetate",OCC[NH+]1CC\\N=C1\\CCCCCCCC=CCCCCCCCC.[O-]C(C)=O,OCC[NH+]1CC\N=C1\CCCCCCCC=CCCCCCCCC.[O-]C(C)=O,"InChI=1/C22H42N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h9-10,25H,2-8,11-21H2,1H3;1H3,(H,3,4)",C22H42N2O.C2H4O2,,,,,,AZCYDMTVXLBAEM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.200,222-219-2,3389-21-7,3-(2-bromoethyl)-1H-indole,3-(2-bromoethyl)-1H-indole,BrCCc1c[nH]c2ccccc12,BrCCc1c[nH]c2ccccc12,"InChI=1/C10H10BrN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2",C10H10BrN,,,,,,NTLAICDKHHQUGC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.202,222-221-3,3/12/3390,"2,4-dimethyl-1,3-dioxolane","2,4-dimethyl-1,3-dioxolane",CC1COC(C)O1,CC1COC(C)O1,"InChI=1/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3",C5H10O2,,,,,,ROSFUFIOLRQOON-UHFFFAOYSA-N,,,,,,,,,,,
100.020.204,222-223-4,4/10/3391,4-chloro-a-methylbenzyl alcohol,1-(4-chlorophenyl)ethanol,CC(O)c1ccc(Cl)cc1,CC(O)c1ccc(Cl)cc1,"InChI=1/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3",C8H9ClO,,,,,,MVOSNPUNXINWAD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.207,222-227-6,3391-87-5,(+)-menthone,2-isopropyl-5-methylcyclohexanone,CC(C)C1CCC(C)CC1=O,CC(C)C1CCC(C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,NFLGAXVYCFJBMK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.208,222-228-1,3391-99-9,"Benzyl [S-(R*,R*)]-[1-[[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl]-2-methylbutyl]carbamate","2,5-dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]isoleucinate",CCC(C)C(NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,CCC(C)C(NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,"InChI=1/C18H22N2O6/c1-3-12(2)16(17(23)26-20-14(21)9-10-15(20)22)19-18(24)25-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,24)",C18H22N2O6,,,,,,XQPVVBMUTQVELT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.695,218-364-6,2134-24-9,2-naphthyl N-benzoyl-3-phenyl-DL-alaninate,2-naphthyl N-benzoyl-L-phenylalaninate,O=C(Oc1ccc2ccccc2c1)[C@H](Cc3ccccc3)NC(=O)c4ccccc4,O=C(Oc1ccc2ccccc2c1)[C@H](Cc3ccccc3)NC(=O)c4ccccc4,"InChI=1/C26H21NO3/c28-25(21-12-5-2-6-13-21)27-24(17-19-9-3-1-4-10-19)26(29)30-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,28)",C26H21NO3,,,,,,NPPKNSHRAVHLHD-DEOSSOPVSA-N,,,,,,,,,,,
100.016.700,218-369-3,2135-16-2,"9ß,11ß-epoxy-6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate","6-fluoro-17-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl pivalate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H35FO6/c1-14-9-16-17-11-19(28)18-10-15(29)7-8-24(18,5)27(17)21(34-27)12-25(16,6)26(14,32)20(30)13-33-22(31)23(2,3)4/h7-8,10,14,16-17,19,21,32H,9,11-13H2,1-6H3",C27H35FO6,,,,,,CPGKQIUXETTXGT-AGQVYWRLSA-N,,,,,,,,,,,
100.016.704,218-374-0,2136-72-3,2-(octadecyloxy)ethanol,2-(octadecyloxy)ethanol,CCCCCCCCCCCCCCCCCCOCCO,CCCCCCCCCCCCCCCCCCOCCO,"InChI=1/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3",C20H42O2,,,,,,ICIDSZQHPUZUHC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.707,218-377-7,2136-89-2,"a,a,a,2-tetrachlorotoluene",1-chloro-2-(trichloromethyl)benzene,Clc1ccccc1C(Cl)(Cl)Cl,Clc1ccccc1C(Cl)(Cl)Cl,"InChI=1/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",C7H4Cl4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5219,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.707,MFHPYLFZSCSNST-UHFFFAOYSA-N,,,,,,,,,,,
100.016.709,218-379-8,2138-18-3,"Cholest-5-en-3ß-ol, compound with (3ß,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol","9,10-secocholesta-5,7,10-trien-3-ol - cholest-5-en-3-ol (1:1)",CC(C)CCC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4C\\C=C1\\C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C.O[C@@H]3C\\C(=C\\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)C(=C)CC3,CC(C)CCC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4C\C=C1\C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C.O[C@@H]3C\C(=C\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)C(=C)CC3,"InChI=1/C27H46O.C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3;12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3",C27H46O.xC27H44O,,,,,,BAPDQBCWGVYLDI-ITJZDPOSSA-N,,,,,,,,,,,
100.016.711,218-381-9,2138-22-9,4-chloropyrocatechol,"4-chlorobenzene-1,2-diol",Oc1ccc(Cl)cc1O,Oc1ccc(Cl)cc1O,"InChI=1/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H",C6H5ClO2,,,,,,WWOBYPKUYODHDG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.724,218-396-0,2142-63-4,3'-bromoacetophenone,1-(3-bromophenyl)ethanone,CC(=O)c1cccc(Br)c1,CC(=O)c1cccc(Br)c1,"InChI=1/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3",C8H7BrO,,,,,,JYAQYXOVOHJRCS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.725,218-397-6,2142-68-9,2'-chloroacetophenone,1-(2-chlorophenyl)ethanone,CC(=O)c1ccccc1Cl,CC(=O)c1ccccc1Cl,"InChI=1/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3",C8H7ClO,,,,,,ZDOYHCIRUPHUHN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.730,218-402-1,2143-98-8,4-(dimethylamino)benzaldehyde [[4-(dimethylamino)phenyl]methylene]hydrazone,"4,4'-(hydrazine-1,2-diylidenedimethylylidene)bis(N,N-dimethylaniline)",CN(C)c2ccc(C=N/N=C/c1ccc(cc1)N(C)C)cc2,CN(C)c2ccc(C=N/N=C/c1ccc(cc1)N(C)C)cc2,"InChI=1/C18H22N4/c1-21(2)17-9-5-15(6-10-17)13-19-20-14-16-7-11-18(12-8-16)22(3)4/h5-14H,1-4H3",C18H22N4,,,,,,UPHRISURECPMEH-SHTSLDKLSA-N,,,,,,,,,,,
100.016.736,218-408-4,2144-54-9,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H9F21O2/c1-5(2)6(38)39-4-3-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h1,3-4H2,2H3",C16H9F21O2,,,,,,FQHLOOOXLDQLPF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.738,218-411-0,2145-68-8,"1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione","1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione",CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)F,CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)F,"InChI=1/C9H11F5O2/c1-7(2,3)5(15)4-6(16)8(10,11)9(12,13)14/h4H2,1-3H3",C9H11F5O2,,,,,,FTTQCEGWFGHNDU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.741,218-414-7,2146-71-6,Vinyl laurate,vinyl laurate,CCCCCCCCCCCC(=O)OC=C,CCCCCCCCCCCC(=O)OC=C,"InChI=1/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3",C14H26O2,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1546,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.741,GLVVKKSPKXTQRB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.324,224-555-5,4407-40-3,"6-chloro-2,4-bis(methylthio)-1,3,5-triazine","2-chloro-4,6-bis(methylsulfanyl)-1,3,5-triazine",CSc1nc(Cl)nc(SC)n1,CSc1nc(Cl)nc(SC)n1,InChI=1/C5H6ClN3S2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,C5H6ClN3S2,,,,,,ZPHLQJFYCYTLLX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.328,224-559-7,4408-81-5,"Propane-1,2-dinitrilotetraacetic acid","2,2',2'',2'''-(propane-1,3-diyldinitrilo)tetraacetic acid",OC(=O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O,OC(=O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)",C11H18N2O8,,,,,,DMQQXDPCRUGSQB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.915,216-405-2,1575-96-8,2-methyl-1-naphthoic acid,2-methyl-1-naphthoic acid,Cc1ccc2ccccc2c1C(=O)O,Cc1ccc2ccccc2c1C(=O)O,"InChI=1/C12H10O2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3,(H,13,14)",C12H10O2,,,,,,ZSPDYGICHBLYSD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.397,243-353-8,19829-31-3,m-bromopropiophenone,1-(3-bromophenyl)propan-1-one,CCC(=O)c1cccc(Br)c1,CCC(=O)c1cccc(Br)c1,"InChI=1/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",C9H9BrO,,,,,,QSHLXVTVXQTHBS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.398,243-354-3,19829-72-2,"2,3-dihydroxyterephthalic acid","2,3-dihydroxyterephthalic acid",OC(=O)c1ccc(C(=O)O)c(O)c1O,OC(=O)c1ccc(C(=O)O)c(O)c1O,"InChI=1/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)",C8H6O6,,,,,,OHLSHRJUBRUKAN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.400,243-356-4,19833-25-1,"2-(3,4-dihydroxyphenyl)-7-(ß-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside",COc1c(O)c2C(=O)C(=C(Oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)c(O)c4)O,COc1c(O)c2C(=O)C(=C(Oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)c(O)c4)O,"InChI=1/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3",C22H22O13,,,,,,AFCDXKGLUDDXCK-LMTLLXHESA-N,,,,,,,,,,,
100.039.402,243-359-0,19833-96-6,Methyl cyclopentylphenylglycolate,methyl cyclopentyl(hydroxy)phenylacetate,COC(=O)C(O)(C1CCCC1)c2ccccc2,COC(=O)C(O)(C1CCCC1)c2ccccc2,"InChI=1/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3",C14H18O3,,,,,,FGMUSNHTKNGVQD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.404,243-361-1,19836-78-3,3-methyloxazolidin-2-one,"3-methyl-1,3-oxazolidin-2-one",CN1CCOC1=O,CN1CCOC1=O,"InChI=1/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3",C4H7NO2,,,,,,VWIIJDNADIEEDB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.406,243-363-2,19840-99-4,7-amino-4-methyl-2-quinolone,7-amino-4-methylquinolin-2(1H)-one,CC1=CC(=O)Nc2cc(N)ccc12,CC1=CC(=O)Nc2cc(N)ccc12,"InChI=1/C10H10N2O/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3,(H,12,13)",C10H10N2O,,,,,,MJXYFLJHTUSJGU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.408,243-365-3,19841-73-7,4-(diphenylmethyl)piperidine,4-(diphenylmethyl)piperidine,C1CC(CCN1)C(c2ccccc2)c3ccccc3,C1CC(CCN1)C(c2ccccc2)c3ccccc3,"InChI=1/C18H21N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17-19H,11-14H2",C18H21N,,,,,,LUYLEMZRJQTGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.410,243-367-4,19847-10-0,Pyrazinecarbonyl chloride,pyrazine-2-carbonyl chloride,ClC(=O)c1cnccn1,ClC(=O)c1cnccn1,InChI=1/C5H3ClN2O/c6-5(9)4-3-7-1-2-8-4/h1-3H,C5H3ClN2O,,,,,,TXJKATOSKLUITR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.414,243-372-1,19854-31-0,Gallium(3+) perchlorate,gallium triperchlorate,[Ga+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Ga+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Ga/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Ga,,,,,,DKRHELWBVMBPOQ-UHFFFAOYSA-K,,,,,,,,,,,
100.039.419,243-377-9,19855-61-9,Dimethyl(octadecyl)ammonium acetate,"N,N-dimethyloctadecan-1-aminium acetate",CCCCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],CCCCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],"InChI=1/C20H43N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2(3)4/h4-20H2,1-3H3;1H3,(H,3,4)",C20H43N.C2H4O2,,,,,,UUPXKAJPMYOPLF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.423,243-382-6,19865-30-6,Tris[3-(allyloxy)-2-chloropropyl] phosphite,tris[3-(allyloxy)-2-chloropropyl] phosphite,ClC(COCC=C)COP(OCC(Cl)COCC=C)OCC(Cl)COCC=C,ClC(COCC=C)COP(OCC(Cl)COCC=C)OCC(Cl)COCC=C,"InChI=1/C18H30Cl3O6P/c1-4-7-22-10-16(19)13-25-28(26-14-17(20)11-23-8-5-2)27-15-18(21)12-24-9-6-3/h4-6,16-18H,1-3,7-15H2",C18H30Cl3O6P,,,,,,KIJPXDAIDVAZHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.428,243-387-3,19875-60-6,Lisuride hydrogen maleate,"1,1-diethyl-3-(6-methyl-9,10-didehydroergolin-8-yl)urea but-2-enedioate",CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(=O)\\C=C/C(=O)O,CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(=O)\C=C/C(=O)O,"InChI=1/C20H26N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)",C20H26N4O.C4H4O4,,,,,,CVQFAMQDTWVJSV-BAXNFHPCSA-N,,,,,,,,,,,
100.039.429,243-388-9,19877-89-5,Vincanol,"14,15-dihydroeburnamenin-14-ol",CC[C@@]12CCCN3CCc4c([C@H]13)n([C@@H](O)C2)c5ccccc45,CC[C@@]12CCCN3CCc4c([C@H]13)n([C@@H](O)C2)c5ccccc45,"InChI=1/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3",C19H24N2O,,,,,,HONLKDDLTAZVQV-UHOSZYNNSA-N,,,,,,,,,,,
100.039.433,243-393-6,19881-18-6,Nitroscanate,1-isothiocyanato-4-(4-nitrophenoxy)benzene,[O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1,[O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1,InChI=1/C13H8N2O3S/c16-15(17)11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14-9-19/h1-8H,C13H8N2O3S,,,,,,SVMGVZLUIWGYPH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.444,243-404-4,19889-95-3,"[1R-(1a,2a,3a,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.077,218-783-4,2234-75-5,"1,2,4-trimethylcyclohexane","1,2,4-trimethylcyclohexane",CC1CCC(C)C(C)C1,CC1CCC(C)C(C)C1,"InChI=1/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3",C9H18,,,,,,VCJPCEVERINRSG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.087,218-794-4,2235-83-8,5-phenylpentan-2-one,5-phenylpentan-2-one,CC(=O)CCCc1ccccc1,CC(=O)CCCc1ccccc1,"InChI=1/C11H14O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3",C11H14O,,,,,,DGMYRPFYNFQCHM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.092,218-800-5,2237-30-1,3-aminobenzonitrile,3-aminobenzonitrile,Nc1cccc(c1)C#N,Nc1cccc(c1)C#N,"InChI=1/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2",C7H6N2,,,,,,NJXPYZHXZZCTNI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.094,218-802-6,5/07/2238,"2,2'-[oxybis(methylene)]bisoxirane","2,2'-[oxybis(methylene)]dioxirane",C(OCC1CO1)C2CO2,C(OCC1CO1)C2CO2,"InChI=1/C6H10O3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2",C6H10O3,,,,,,GYZLOYUZLJXAJU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.096,218-804-7,2239-92-1,Isopropyl N-4-chlorophenylcarbamate,isopropyl (4-chlorophenyl)carbamate,CC(C)OC(=O)Nc1ccc(Cl)cc1,CC(C)OC(=O)Nc1ccc(Cl)cc1,"InChI=1/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)",C10H12ClNO2,,,,,,BSMJHJAWPFPTKW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.099,218-807-3,2240-47-3,Imidotriphenylphosphorus,imino(triphenyl)phosphorane,N=P(c1ccccc1)(c2ccccc2)c3ccccc3,N=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H16NP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H",C18H16NP,,,,,,DHOUOTPZYIKUDF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.104,218-813-6,2243-44-9,2-chloroethyl 2-phenoxyethyl ether,[2-(2-chloroethoxy)ethoxy]benzene,ClCCOCCOc1ccccc1,ClCCOCCOc1ccccc1,"InChI=1/C10H13ClO2/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5H,6-9H2",C10H13ClO2,,,,,,SZAPPHDTDAQSQV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.476,222-523-5,3517-33-7,"3ß,17,21-trihydroxypregn-5-en-20-one 3,17,21-tri(acetate)","20-oxopregn-5-ene-3,17,21-triyl triacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)OC(=O)C,"InChI=1/C27H38O7/c1-16(28)32-15-24(31)27(34-18(3)30)13-10-23-21-7-6-19-14-20(33-17(2)29)8-11-25(19,4)22(21)9-12-26(23,27)5/h6,20-23H,7-15H2,1-5H3",C27H38O7,,,,,,RHVLWSXKCVDNIJ-YOEZIVMMSA-N,,,,,,,,,,,
100.020.484,222-531-9,3521-06-0,"[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-(4-{(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl,"InChI=1/C23H24ClN2.ClH/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;/h5-16H,1-4H3;1H/q+1;/p-1",C23H24ClN2.Cl,,,,,,GRPFBMKYXAYEJM-UHFFFAOYSA-M,,,,,,,,,,,
100.020.486,222-534-5,3521-84-4,"Adipiodone, dimeglumine salt","6-(methylamino)cyclohexane-1,2,3,4,5-pentol",CNC1C(O)C(O)C(O)C(O)C1O,CNC1C(O)C(O)C(O)C(O)C1O,"InChI=1/C7H15NO5/c1-8-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H3",C20H14I6N2O6.2C7H17NO5,,,,,,DXGYSRZEOSLKBY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.494,222-542-9,3524-75-2,3-cyclopentylpropene,allylcyclopentane,C=CCC1CCCC1,C=CCC1CCCC1,"InChI=1/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2",C8H14,,,,,,NHIDGVQVYHCGEK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.496,222-545-5,3525-25-5,3-ethylheptan-1-ol,3-ethylheptan-1-ol,CCCCC(CC)CCO,CCCCC(CC)CCO,"InChI=1/C9H20O/c1-3-5-6-9(4-2)7-8-10/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,VRZRVMXNGMZLDB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.250,224-474-5,4375-83-1,Tris(dimethylamino)borane,"N,N',N''-boranetriyltris(N-methylmethanamine)",CN(C)B(N(C)C)N(C)C,CN(C)B(N(C)C)N(C)C,InChI=1/C6H18BN3/c1-8(2)7(9(3)4)10(5)6/h1-6H3,C6H18BN3,,,,,,SOLWORTYZPSMAK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.259,224-483-4,3/09/4379,"3-phosphonopentane-1,3,5-tricarboxylic acid","3-phosphonopentane-1,3,5-tricarboxylic acid",OC(=O)CCC(CCC(=O)O)(C(=O)O)P(=O)(O)O,OC(=O)CCC(CCC(=O)O)(C(=O)O)P(=O)(O)O,"InChI=1/C8H13O9P/c9-5(10)1-3-8(7(13)14,18(15,16)17)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)(H,13,14)(H2,15,16,17)",C8H13O9P,,,,,,RZTGKNWFRVUWMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.262,224-487-6,4382-54-1,5-methoxyindole-2-carboxylic acid,5-methoxy-1H-indole-2-carboxylic acid,COc1ccc2[nH]c(cc2c1)C(=O)O,COc1ccc2[nH]c(cc2c1)C(=O)O,"InChI=1/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)",C10H9NO3,,,,,,YEBJVSLNUMZXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.267,224-492-3,1/05/4385,4-[2-(dimethylamino)ethyl]morpholine,"N,N-dimethyl-2-morpholin-4-ylethanamine",CN(C)CCN1CCOCC1,CN(C)CCN1CCOCC1,"InChI=1/C8H18N2O/c1-9(2)3-4-10-5-7-11-8-6-10/h3-8H2,1-2H3",C8H18N2O,,,,,,PMHXGHYANBXRSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.211,222-231-8,3/08/3392,Succinimido N-(tert-butoxycarbonyl)isoleucinate,"2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)isoleucinate",CCC(C)C(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,CCC(C)C(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,"InChI=1/C15H24N2O6/c1-6-9(2)12(16-14(21)22-15(3,4)5)13(20)23-17-10(18)7-8-11(17)19/h9,12H,6-8H2,1-5H3,(H,16,21)",C15H24N2O6,,,,,,FATJLEZSGFVHQA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.212,222-232-3,4/09/3392,"tert-butyl (S)-[1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-3-methylbutyl]carbamate","2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)-D-leucinate",CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,"InChI=1/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)",C15H24N2O6,,,,,,WXRGJQZMGGGTSS-JTQLQIEISA-N,,,,,,,,,,,
100.020.215,222-236-5,9/12/3392,"tert-butyl (S)-[1-[[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl]-2-methylpropyl]carbamate","2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)-D-valinate",CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,"InChI=1/C14H22N2O6/c1-8(2)11(15-13(20)21-14(3,4)5)12(19)22-16-9(17)6-7-10(16)18/h8,11H,6-7H2,1-5H3,(H,15,20)",C14H22N2O6,,,,,,POBDBYGSGKMZPH-NSHDSACASA-N,,,,,,,,,,,
100.020.224,222-245-4,3395-88-8,a-methoxy-p-xylene,1-(methoxymethyl)-4-methylbenzene,COCc1ccc(C)cc1,COCc1ccc(C)cc1,"InChI=1/C9H12O/c1-8-3-5-9(6-4-8)7-10-2/h3-6H,7H2,1-2H3",C9H12O,,,,,,HNASEWFYPPRNKM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.228,222-250-1,3396-17-6,"1,2-dicyanocyclobutane","cyclobutane-1,2-dicarbonitrile",N#CC1CCC1C#N,N#CC1CCC1C#N,"InChI=1/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2",C6H6N2,,,,,,CZPLUOCTUPJSIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.229,222-251-7,3396-99-4,Methyl a-D-galactopyranoside,methyl alpha-D-galactopyranoside,CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",C7H14O6,,,,,,HOVAGTYPODGVJG-PZRMXXKTSA-N,,,,,,,,,,,
100.020.230,222-252-2,3397-16-8,N-(1-oxooctadecyl)-L-glutamic acid,N-stearoyl-L-glutamic acid,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C23H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)",C23H43NO5,,,,,,ATFFFUXLAJBBDE-FQEVSTJZSA-N,,,,,,,,,,,
100.017.235,218-958-5,2302-96-7,Disodium 4-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalenesulphonate,disodium 4-[(2-hydroxy-6-sulfonato-1-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)c3ccccc34,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)c3ccccc34,"InChI=1/C20H14N2O7S2.2Na/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H14N2O7S2.2Na,,,,,,YCDHVKWTZBVDKD-UHFFFAOYSA-L,,,,,,,,,,,
100.017.236,218-959-0,2302-97-8,"Disodium 8,8'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis(7-hydroxynaphthalene-1-sulphonate)","disodium 8,8'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(7-hydroxynaphthalene-1-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c5cccc6ccc(O)c(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc3c4c(ccc3O)cccc4S([O-])(=O)=O)c56,[Na+].[Na+].[O-]S(=O)(=O)c5cccc6ccc(O)c(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc3c4c(ccc3O)cccc4S([O-])(=O)=O)c56,"InChI=1/C32H22N4O8S2.2Na/c37-25-17-11-21-3-1-5-27(45(39,40)41)29(21)31(25)35-33-23-13-7-19(8-14-23)20-9-15-24(16-10-20)34-36-32-26(38)18-12-22-4-2-6-28(30(22)32)46(42,43)44;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C32H22N4O8S2.2Na,,,,,,QOSNOLXFOYXABU-UHFFFAOYSA-L,,,,,,,,,,,
100.017.237,218-960-6,7/01/2303,m-cresol purple,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3-methylphenol)",Oc1ccc(c(C)c1)C3(OS(=O)(=O)c2ccccc23)c4ccc(O)cc4C,Oc1ccc(c(C)c1)C3(OS(=O)(=O)c2ccccc23)c4ccc(O)cc4C,"InChI=1/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3",C21H18O5S,,,,,,OLQIKGSZDTXODA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.238,218-961-1,2303-16-4,Di-allate,"S-(2,3-dichloroprop-2-en-1-yl) diisopropylthiocarbamate",ClC=C(Cl)CSC(=O)N(C(C)C)C(C)C,ClC=C(Cl)CSC(=O)N(C(C)C)C(C)C,"InChI=1/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3",C10H17Cl2NOS,,,,,,SPANOECCGNXGNR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.241,218-964-8,2304-30-5,Tetrabutylphosphonium chloride,tetrabutylphosphonium chloride,[Cl-].CCCC[P+](CCCC)(CCCC)CCCC,[Cl-].CCCC[P+](CCCC)(CCCC)CCCC,"InChI=1/C16H36P.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",C16H36P.Cl,,,,,,IBWGNZVCJVLSHB-UHFFFAOYSA-M,,,,,,,,,,,
100.017.243,218-966-9,2304-85-0,"Pyrene-1,8-dione","pyrene-1,8-dione",O=C1C=Cc2ccc3C=CC(=O)c4ccc1c2c34,O=C1C=Cc2ccc3C=CC(=O)c4ccc1c2c34,InChI=1/C16H8O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H,C16H8O2,,,,,,XETOQIJGUBNXLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.249,218-973-7,2305-25-1,Ethyl 3-hydroxyhexanoate,ethyl 3-hydroxyhexanoate,CCCC(O)CC(=O)OCC,CCCC(O)CC(=O)OCC,"InChI=1/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3",C8H16O3,,,,,,LYRIITRHDCNUHV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.755,220-630-1,2840-00-8,"3,5-dichloro-2,6-difluoropyridin-4-amine","3,5-dichloro-2,6-difluoropyridin-4-amine",Nc1c(Cl)c(F)nc(F)c1Cl,Nc1c(Cl)c(F)nc(F)c1Cl,"InChI=1/C5H2Cl2F2N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)",C5H2Cl2F2N2,,,,,,BEGINUFBBRTGBH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.330,224-561-8,4409-98-7,Dipotassium phthalate,dipotassium phthalate,[K+].[K+].[O-]C(=O)c1ccccc1C(=O)[O-],[K+].[K+].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.2K/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H6O4.2K,,,,,,GOMCKELMLXHYHH-UHFFFAOYSA-L,,,,,,,,,,,
100.022.333,224-564-4,4411-26-1,"Tricyclo(3.3.1.1'3,7)dec-1-yl isocyanate",1-isothiocyanatoadamantane,S=C=NC12CC3CC(CC(C3)C1)C2,S=C=NC12CC3CC(CC(C3)C1)C2,"InChI=1/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2",C11H15NS,,,,,,YPKFLUARLJRPQM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.339,224-571-2,4412-96-8,3-methyl-2-furoic acid,3-methyl-2-furoic acid,Cc1ccoc1C(=O)O,Cc1ccoc1C(=O)O,"InChI=1/C6H6O3/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)",C6H6O3,,,,,,BNYIQEFWGSXIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.345,224-578-0,4417-80-5,3-methyl-2-methylenebutyraldehyde,3-methyl-2-methylenebutanal,CC(C)C(=C)C=O,CC(C)C(=C)C=O,"InChI=1/C6H10O/c1-5(2)6(3)4-7/h4-5H,3H2,1-2H3",C6H10O,,,,,,QOUVUDUTJPGJNG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.348,224-581-7,4418-61-5,Tetrazol-5-ylamine,1H-tetrazol-5-amine,Nc1nnn[nH]1,Nc1nnn[nH]1,"InChI=1/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)",CH3N5,,,,,,ULRPISSMEBPJLN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.349,224-582-2,4418-66-0,"6,6'-thiobis[4-chloro-o-cresol]","2,2'-sulfanediylbis(4-chloro-6-methylphenol)",Cc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1O,Cc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1O,"InChI=1/C14H12Cl2O2S/c1-7-3-9(15)5-11(13(7)17)19-12-6-10(16)4-8(2)14(12)18/h3-6,17-18H,1-2H3",C14H12Cl2O2S,,,,,,DFLQADJJFCUSAX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.350,224-583-8,8/11/4419,"2,2'-azobis[2,4-dimethylvaleronitrile]","2,2'-diazene-1,2-diylbis(2,4-dimethylpentanenitrile)",CC(C)CC(C)(N=NC(C)(CC(C)C)C#N)C#N,CC(C)CC(C)(N=NC(C)(CC(C)C)C#N)C#N,"InChI=1/C14H24N4/c1-11(2)7-13(5,9-15)17-18-14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3",C14H24N4,,,,,,WYGWHHGCAGTUCH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.351,224-584-3,4419-22-1,Tributylstannyl 4-[[(tributylstannyl)oxy]sulphonyl]salicylate,2-{[(tributylstannyl)oxy]carbonyl}-5-{[(tributylstannyl)oxy]sulfonyl}phenol,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccc(cc1O)S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccc(cc1O)S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C7H6O6S.6C4H9.2Sn/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10;6*1-3-4-2;;/h1-3,8H,(H,9,10)(H,11,12,13);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC31H58O6SSn2/c1-7-13-21-39(22-14-8-2,23-15-9-3)36-31(33)29-20-19-28(27-30(29)32)38(34,35)37-40(24-16-10-4,25-17-11-5)26-18-12-6/h19-20,27,32H,7-18,21-26H2,1-6H3",C31H58O6SSn2,,,,,,QFQKBOWEZLBHAP-UHFFFAOYSA-L,,,,,,,,,,,
100.022.352,224-585-9,4419-39-0,Beclometasone,"9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3",C22H29ClO5,,,,,,NBMKJKDGKREAPL-DVTGEIKXSA-N,,,,,,,,,,,
100.022.353,224-586-4,4419-92-5,Diethylammonium salicylate,N-ethylethanaminium salicylate,CC[NH2+]CC.Oc1ccccc1C(=O)[O-],CC[NH2+]CC.Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3",C7H6O3.C4H11N,,,,,,JGMKRAUEFASZKH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.357,224-591-1,7/10/4421,"2,2-diisopropyl-1,3-dioxolane","2,2-diisopropyl-1,3-dioxolane",CC(C)C1(OCCO1)C(C)C,CC(C)C1(OCCO1)C(C)C,"InChI=1/C9H18O2/c1-7(2)9(8(3)4)10-5-6-11-9/h7-8H,5-6H2,1-4H3",C9H18O2,,,,,,BIYJJEWTEPSHGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.368,224-604-0,4425-73-4,9H-fluoren-9-ylideneacetic acid,9H-fluoren-9-ylideneacetic acid,OC(=O)C=C1c2ccccc2c3ccccc13,OC(=O)C=C1c2ccccc2c3ccccc13,"InChI=1/C15H10O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9H,(H,16,17)",C15H10O2,,,,,,TUWTVRGEVPWFIX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.369,224-605-6,4425-97-2,"9H-fluorene-9,9-dipropiononitrile","3,3'-(9H-fluorene-9,9-diyl)dipropanenitrile",N#CCCC1(CCC#N)c2ccccc2c3ccccc13,N#CCCC1(CCC#N)c2ccccc2c3ccccc13,"InChI=1/C19H16N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-12H2",C19H16N2,,,,,,COWHDUMHYFLLER-UHFFFAOYSA-N,,,,,,,,,,,
100.022.370,224-606-1,3/11/4426,Cyanocyclobutane,cyclobutanecarbonitrile,N#CC1CCC1,N#CC1CCC1,"InChI=1/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2",C5H7N,,,,,,GFBLFDSCAKHHGX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.117,222-127-2,3360-16-5,"N-isopropylpropane-1,3-diamine","N-isopropylpropane-1,3-diamine",CC(C)NCCCN,CC(C)NCCCN,"InChI=1/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3",C6H16N2,,,,,,KFDIDIIKNMZLRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.628,224-889-1,4540-00-5,"2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({3-chloro-4-[(4-nitrophenyl)diazenyl]phenyl}imino)diethanol",Clc2cc(ccc2N=Nc1ccc(cc1)[N+]([O-])=O)N(CCO)CCO,Clc2cc(ccc2N=Nc1ccc(cc1)[N+]([O-])=O)N(CCO)CCO,"InChI=1/C16H17ClN4O4/c17-15-11-14(20(7-9-22)8-10-23)5-6-16(15)19-18-12-1-3-13(4-2-12)21(24)25/h1-6,11,22-23H,7-10H2",C16H17ClN4O4,,,,,,ZVROYWXEJXXQGA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.445,243-406-5,19889-99-7,"[1S-(1a,3ß,5a)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol","6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol",CC1(C)C2CC(O)C(=C)C1C2,CC1(C)C2CC(O)C(=C)C1C2,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3",C10H16O,,,,,,LCYXQUJDODZYIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.113,224-323-3,4310-35-4,Tridihexethyl chloride,"3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium chloride",[Cl-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2,[Cl-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2,"InChI=1/C21H36NO.ClH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1",C21H36NO.Cl,,,,,,XJGONMZLEDGBRM-UHFFFAOYSA-M,,,,,,,,,,,
100.022.118,224-329-6,4313-57-9,"1-methylcyclohexa-1,4-diene","1-methylcyclohexa-1,4-diene",CC1=CCC=CC1,CC1=CCC=CC1,"InChI=1/C7H10/c1-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3",C7H10,,,,,,QDXQAOGNBCOEQX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.124,224-335-9,4316-42-1,1-butylimidazole,1-butyl-1H-imidazole,CCCCn1ccnc1,CCCCn1ccnc1,"InChI=1/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3",C7H12N2,,,,,,MCMFEZDRQOJKMN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.502,219-250-9,2396-60-3,4-methoxyazobenzene,1-(4-methoxyphenyl)-2-phenyldiazene,COc1ccc(cc1)N=Nc2ccccc2,COc1ccc(cc1)N=Nc2ccccc2,"InChI=1/C13H12N2O/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3",C13H12N2O,,,,,,LGCRPKOHRIXSEG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.503,219-251-4,2396-61-4,"3,3'-oxydipropanol","3,3'-oxydipropan-1-ol",OCCCOCCCO,OCCCOCCCO,"InChI=1/C6H14O3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2",C6H14O3,,,,,,SZXQTJUDPRGNJN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.505,219-254-0,2396-65-8,"Nona-1,8-diyne","nona-1,8-diyne",C#CCCCCCC#C,C#CCCCCCC#C,"InChI=1/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2",C9H12,,,,,,DMOVPHYFYSASTC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.507,219-256-1,2396-78-3,Methyl hex-3-enoate,methyl hex-3-enoate,CCC=CCC(=O)OC,CCC=CCC(=O)OC,"InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3",C7H12O2,,,,,,XEAIHUDTEINXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.508,219-257-7,2396-83-0,Ethyl hex-3-enoate,ethyl hex-3-enoate,CCOC(=O)CC=CCC,CCOC(=O)CC=CCC,"InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3",C8H14O2,,,,,,VTSFIPHRNAESED-UHFFFAOYSA-N,,,,,,,,,,,
100.017.509,219-258-2,2396-84-1,"Ethyl hexa-2,4-dienoate","ethyl hexa-2,4-dienoate",CCOC(=O)C=CC=CC,CCOC(=O)C=CC=CC,"InChI=1/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3",C8H12O2,,,,,,OZZYKXXGCOLLLO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.510,219-259-8,2396-85-2,Methyl oct-2-enoate,methyl oct-2-enoate,COC(=O)C=CCCCCC,COC(=O)C=CCCCCC,"InChI=1/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3",C9H16O2,,,,,,CJBQSBZJDJHMLF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.512,219-261-9,5/01/2397,"2,2'-(vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole]","2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(5-tert-butyl-1,3-benzoxazole)",CC(C)(C)c1ccc2oc(nc2c1)c3ccc(C=Cc4ccc(cc4)c5oc6ccc(cc6n5)C(C)(C)C)cc3,CC(C)(C)c1ccc2oc(nc2c1)c3ccc(C=Cc4ccc(cc4)c5oc6ccc(cc6n5)C(C)(C)C)cc3,"InChI=1/C36H34N2O2/c1-35(2,3)27-17-19-31-29(21-27)37-33(39-31)25-13-9-23(10-14-25)7-8-24-11-15-26(16-12-24)34-38-30-22-28(36(4,5)6)18-20-32(30)40-34/h7-22H,1-6H3",C36H34N2O2,,,,,,PSVDQOKAQPGOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.515,219-265-0,2398-81-4,Oxiniacic acid,nicotinic acid 1-oxide,[O-][n+]1cccc(c1)C(=O)O,[O-][n+]1cccc(c1)C(=O)O,"InChI=1/C6H5NO3/c8-6(9)5-2-1-3-7(10)4-5/h1-4H,(H,8,9)",C6H5NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7350,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.515,FJCFFCXMEXZEIM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.516,219-266-6,2398-96-1,Tolnaftate,O-2-naphthyl methyl(3-methylphenyl)thiocarbamate,CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3,CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3,"InChI=1/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3",C19H17NOS,,,,,,FUSNMLFNXJSCDI-UHFFFAOYSA-N,Positive,EQ313101|EQ313102|EQ313103|EQ313104|EQ313105|EQ313106,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,148.0759:164.053:180.0478|148.0759:164.053:120.0808|120.0808:148.0758:164.053|120.0808:91.0543:164.0531|91.0543:120.0808:65.0387|91.0543:65.0386:120.0809,Eawag,,,,,
100.017.518,219-268-7,2399-48-6,Tetrahydrofurfuryl acrylate,tetrahydrofuran-2-ylmethyl acrylate,C=CC(=O)OCC1CCCO1,C=CC(=O)OCC1CCCO1,"InChI=1/C8H12O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2,7H,1,3-6H2",C8H12O3,,,,,,YNXCGLKMOXLBOD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.520,219-270-8,2399-85-1,Tripotassium nitrilotriacetate,"tripotassium 2,2',2''-nitrilotriacetate",[K+].[K+].[K+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-],[K+].[K+].[K+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C6H9NO6.3K/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3",C6H9NO6.3K,,,,,,JEVFKQIDHQGBFB-UHFFFAOYSA-K,,,,,,,,,,,
100.017.522,219-272-9,2400-00-2,3-phenyldodecane,(1-ethyldecyl)benzene,CCCCCCCCCC(CC)c1ccccc1,CCCCCCCCCC(CC)c1ccccc1,"InChI=1/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3",C18H30,,,,,,PGVOXXHNGYYHHB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.526,219-277-6,2401-24-3,6-chloro-m-anisidine,2-chloro-5-methoxyaniline,COc1ccc(Cl)c(N)c1,COc1ccc(Cl)c(N)c1,"InChI=1/C7H8ClNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3",C7H8ClNO,,,,,,GBOUQGUQUUPGLO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.284,224-511-5,4392-24-9,Cinnamyl bromide,(3-bromoprop-1-en-1-yl)benzene,BrC\\C=C\\c1ccccc1,BrC\C=C\c1ccccc1,"InChI=1/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2",C9H9Br,,,,,,RUROFEVDCUGKHD-QPJJXVBHSA-N,,,,,,,,,,,
100.022.286,224-513-6,4392-54-5,p-hydrazinobenzenesulphonamide,4-hydrazinobenzenesulfonamide,NNc1ccc(cc1)S(=O)(=O)N,NNc1ccc(cc1)S(=O)(=O)N,"InChI=1/C6H9N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)",C6H9N3O2S,,,,,,NBJSNAGTUCWQRO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.299,224-527-2,4397-53-9,4-benzyloxybenzaldehyde,4-(benzyloxy)benzaldehyde,O=Cc1ccc(OCc2ccccc2)cc1,O=Cc1ccc(OCc2ccccc2)cc1,"InChI=1/C14H12O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2",C14H12O2,,,,,,ZVTWZSXLLMNMQC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.308,224-537-7,4402-32-8,1-diethylaminopropan-2-ol,1-(diethylamino)propan-2-ol,CCN(CC)CC(C)O,CCN(CC)CC(C)O,"InChI=1/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3",C7H17NO,,,,,,BHUXAQIVYLDUQV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.310,224-539-8,1/08/4403,"2,2',2'',2''',2'''',2'''''-(1,3,5-triazine-2,4,6-triyltrinitrilo)hexakisethanol","2,2',2'',2''',2'''',2'''''-(1,3,5-triazine-2,4,6-triyltrinitrilo)hexaethanol",OCCN(CCO)c1nc(nc(n1)N(CCO)CCO)N(CCO)CCO,OCCN(CCO)c1nc(nc(n1)N(CCO)CCO)N(CCO)CCO,"InChI=1/C15H30N6O6/c22-7-1-19(2-8-23)13-16-14(20(3-9-24)4-10-25)18-15(17-13)21(5-11-26)6-12-27/h22-27H,1-12H2",C15H30N6O6,,,,,,XGXKWMBOZAECME-UHFFFAOYSA-N,,,,,,,,,,,
100.022.317,224-547-1,4404-39-1,Sodium 5-[[4-acetamido-2-[(p-tolyl)sulphonyl]phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate,sodium 5-({4-acetamido-2-[(4-methylphenyl)sulfonyl]phenyl}diazenyl)-6-amino-4-hydroxynaphthalene-2-sulfonate,[Na+].Cc1ccc(cc1)S(=O)(=O)c4cc(NC(C)=O)ccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,[Na+].Cc1ccc(cc1)S(=O)(=O)c4cc(NC(C)=O)ccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,"InChI=1/C25H22N4O7S2.Na/c1-14-3-7-18(8-4-14)37(32,33)23-12-17(27-15(2)30)6-10-21(23)28-29-25-20(26)9-5-16-11-19(38(34,35)36)13-22(31)24(16)25;/h3-13,31H,26H2,1-2H3,(H,27,30)(H,34,35,36);/q;+1/p-1",C25H22N4O7S2.Na,,,,,,NTHCBBYJOFRVDT-UHFFFAOYSA-M,,,,,,,,,,,
100.022.319,224-549-2,4404-45-9,1-hexyl isothiocyanate,1-isothiocyanatohexane,CCCCCCN=C=S,CCCCCCN=C=S,"InChI=1/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3",C7H13NS,,,,,,WXYAXKKXIGHXDS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.060,220-965-3,2948-89-2,Diallyl phenylphosphonate,diallyl phenylphosphonate,C=CCOP(=O)(OCC=C)c1ccccc1,C=CCOP(=O)(OCC=C)c1ccccc1,"InChI=1/C12H15O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2",C12H15O3P,,,,,,YSRMRWIQPVDQBV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.066,220-972-1,2950-45-0,"2,2,4,4,6,6,8,8-octachloro-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine","2,2,4,4,6,6,8,8-octachloro-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocane",ClP1(Cl)NP(Cl)(Cl)NP(Cl)(Cl)NP(Cl)(Cl)N1,ClP1(Cl)NP(Cl)(Cl)NP(Cl)(Cl)NP(Cl)(Cl)N1,"InChI=1/Cl8H8N4P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h9-16H",Cl8N4P4,,,,,,OBQOUEZFNGVERH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.069,220-975-8,2955-38-6,Prazepam,"7-chloro-1-(cyclopropylmethyl)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",Clc1ccc2N(CC3CC3)C(=O)CN=C(c4ccccc4)c2c1,Clc1ccc2N(CC3CC3)C(=O)CN=C(c4ccccc4)c2c1,"InChI=1/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2",C19H17ClN2O,,,,,,MWQCHHACWWAQLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.071,220-977-9,9/12/2956,S-allyl O-pentyl dithiocarbonate,S-allyl O-pentyl dithiocarbonate,CCCCCOC(=S)SCC=C,CCCCCOC(=S)SCC=C,"InChI=1/C9H16OS2/c1-3-5-6-7-10-9(11)12-8-4-2/h4H,2-3,5-8H2,1H3",C9H16OS2,,,,,,WTPBLTFCXYTHNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.076,220-983-1,2958-09-0,Octadecyl dihydrogen phosphate,octadecyl dihydrogen phosphate,OP(=O)(O)OCCCCCCCCCCCCCCCCCC,OP(=O)(O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C18H39O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H2,19,20,21)",C18H39O4P,,,,,,UHGIMQLJWRAPLT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.080,220-987-3,2958-87-4,"2,3,6-trichloroquinoxaline","2,3,6-trichloroquinoxaline",Clc1ccc2nc(Cl)c(Cl)nc2c1,Clc1ccc2nc(Cl)c(Cl)nc2c1,InChI=1/C8H3Cl3N2/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3H,C8H3Cl3N2,,,,,,GZEGFNCRZUGIOB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.085,220-993-6,2961-47-9,4-(1-butylpentyl)pyridine,4-(1-butylpentyl)pyridine,CCCCC(CCCC)c1ccncc1,CCCCC(CCCC)c1ccncc1,"InChI=1/C14H23N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h9-13H,3-8H2,1-2H3",C14H23N,,,,,,ATCGHKBXRIOBDX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.086,220-994-1,2961-50-4,4-pentylpyridine,4-pentylpyridine,CCCCCc1ccncc1,CCCCCc1ccncc1,"InChI=1/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3",C10H15N,,,,,,ABJVUPUJUGBUMM-UHFFFAOYSA-N,,,,,,,,,,,
100.019.087,220-995-7,2961-62-8,"Sodium 4-hydroxy-3,5-diiodophenylcyanide",-,[Na+].Oc1c(I)cc(cc1I)C#N,[Na+].Oc1c(I)cc(cc1I)C#N,"InChI=1/C7H3I2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1",C7H3I2NO.Na,,,,,,QGKPUZOFTJQTHL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.756,220-631-7,2840-10-0,"1-bromobutane-2,3-dione 3-oxime","1-bromobutane-2,3-dione 3-oxime",BrCC(=O)C(C)=NO,BrCC(=O)C(C)=NO,"InChI=1/C4H6BrNO2/c1-3(6-8)4(7)2-5/h8H,2H2,1H3",C4H6BrNO2,,,,,,ZVOVQZPLRVLEMI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.757,220-632-2,1/11/2840,"1-chlorobutane-2,3-dione 3-oxime","1-chlorobutane-2,3-dione 3-oxime",ClCC(=O)C(C)=NO,ClCC(=O)C(C)=NO,"InChI=1/C4H6ClNO2/c1-3(6-8)4(7)2-5/h8H,2H2,1H3",C4H6ClNO2,,,,,,PHVXNVOGALDGBW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.762,220-638-5,2842-44-6,2-(N-methyl-p-toluidino)ethanol,2-[methyl(4-methylphenyl)amino]ethanol,CN(CCO)c1ccc(C)cc1,CN(CCO)c1ccc(C)cc1,"InChI=1/C10H15NO/c1-9-3-5-10(6-4-9)11(2)7-8-12/h3-6,12H,7-8H2,1-2H3",C10H15NO,,,,,,HXCWOOAEAHVMBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.769,220-645-3,2846-96-0,6-morpholinopurine,6-morpholin-4-yl-7H-purine,C1CN(CCO1)c2ncnc3nc[nH]c23,C1CN(CCO1)c2ncnc3nc[nH]c23,"InChI=1/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)",C9H11N5O,,,,,,MEOMXKNIFWDDGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.771,220-647-4,4/05/2847,Zinc malate,zinc malate,[Zn+2].OC(CC(=O)[O-])C(=O)[O-],[Zn+2].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.Zn/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2",C4H6O5.Zn,,,,,,YMTJAFLYBRWKTF-UHFFFAOYSA-L,,,,,,,,,,,
100.018.772,220-649-5,2847-14-5,"N,N'-bis(2-pyridylmethylene)ethylenediamine","N,N'-bis(pyridin-2-ylmethylene)ethane-1,2-diamine",C(N=Cc1ccccn1)CN=Cc2ccccn2,C(N=Cc1ccccn1)CN=Cc2ccccn2,"InChI=1/C14H14N4/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14/h1-8,11-12H,9-10H2",C14H14N4,,,,,,LFLIOYNYGXICME-UHFFFAOYSA-N,,,,,,,,,,,
100.018.777,220-654-2,2849-62-9,o-(phenylazo)benzenesulphenyl bromide,2-(phenyldiazenyl)benzenesulfenyl bromide,BrSc2ccccc2N=Nc1ccccc1,BrSc2ccccc2N=Nc1ccccc1,InChI=1/C12H9BrN2S/c13-16-12-9-5-4-8-11(12)15-14-10-6-2-1-3-7-10/h1-9H,C12H9BrN2S,,,,,,OGLDNEGRIQZFIY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.817,218-498-5,2164-07-0,Endothal-potassium,"dipotassium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate",[K+].[K+].[O-]C(=O)C1C2CCC(O2)C1C(=O)[O-],[K+].[K+].[O-]C(=O)C1C2CCC(O2)C1C(=O)[O-],"InChI=1/C8H10O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H10O5.2K,,,,,,ZPZKADHMBHMAES-UHFFFAOYSA-L,,,,,,,,,,,
100.016.819,218-500-4,2164-17-2,Fluometuron,"1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea",CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,"InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)",C10H11F3N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16818,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.819,RZILCCPWPBTYDO-UHFFFAOYSA-N,Positive/Negative,EQ370901|EQ370902|EQ370903|EQ370904|EQ370905|EQ370906|EQ370907|EQ370908|EQ370909,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,233.0897:72.0444:213.0834|72.0444:233.0897:213.0835|72.0444:233.0898:188.0319|72.0444:160.0369:168.0256|72.0444:160.0369:145.026|72.0444:145.026:160.0369|72.0444:145.0261:56.0131|72.0444:56.0131:75.0229|72.0444:75.0229:56.0131,Eawag,EQ370951|EQ370952|EQ370953|EQ370954|EQ370955|EQ370956|EQ370957|EQ370958|EQ370959,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,231.075:186.0173:160.0378|231.075:186.0172:160.0379|186.0172:231.0752:160.038|186.0173:166.0111:160.038|186.0173:146.0049:166.0111|98.0036:146.0049:186.0173|98.0036:118.01:146.0049|98.0036:74.0037:50.0036|98.0036:74.0037:50.0036,Eawag
100.016.825,218-507-2,2167-23-9,Di-tert-butyl sec-butylidene diperoxide,"2,2-bis(tert-butylperoxy)butane",CCC(C)(OOC(C)(C)C)OOC(C)(C)C,CCC(C)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3",C12H26O4,,,,,,HQOVXPHOJANJBR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.827,218-509-3,1/06/2168,"3,3,3-tris(p-chlorophenyl)propionic acid","3,3,3-tris(4-chlorophenyl)propanoic acid",OC(=O)CC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,OC(=O)CC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,"InChI=1/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26)",C21H15Cl3O2,,,,,,LHIVWYJOCNGZRI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.828,218-510-9,2168-13-0,2-[(dimethylamino)methyl]pyridin-3-ol,2-[(dimethylamino)methyl]pyridin-3-ol,CN(C)Cc1ncccc1O,CN(C)Cc1ncccc1O,"InChI=1/C8H12N2O/c1-10(2)6-7-8(11)4-3-5-9-7/h3-5,11H,6H2,1-2H3",C8H12N2O,,,,,,NUMYETXZBQVFDX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.830,218-513-5,2168-96-9,"1,1'-sulphinylbisdodecane","1,1'-sulfinyldidodecane",CCCCCCCCCCCCS(=O)CCCCCCCCCCCC,CCCCCCCCCCCCS(=O)CCCCCCCCCCCC,"InChI=1/C24H50OS/c1-3-5-7-9-11-13-15-17-19-21-23-26(25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50OS,,,,,,PZKDFFVFMXTDIP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.831,218-514-0,2169-38-2,Lithium tetramethylborate(1-),lithium tetramethylborate(1-),[Li+].C[B-](C)(C)C,[Li+].C[B-](C)(C)C,"InChI=1/C4H12B.Li/c1-5(2,3)4;/h1-4H3;/q-1;+1",C4H12B.Li,,,,,,KPHHOTYREBHVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.833,218-516-1,2169-75-7,Deptropine dihydrogen citrate,"3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5ccccc35.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5ccccc35.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C23H27NO.C6H8O7/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-9,18-20,23H,10-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C23H27NO.C6H8O7,,,,,,CHQGYMXXKZPWOI-BWSPSPBFSA-N,,,,,,,,,,,
100.016.835,218-518-2,8/03/2170,Itaconic anhydride,"3,3'-(oxydicarbonyl)bisbut-3-enoic acid",OC(=O)CC(=C)C(=O)OC(=O)C(=C)CC(=O)O,OC(=O)CC(=C)C(=O)OC(=O)C(=C)CC(=O)O,"InChI=1/C10H10O7/c1-5(3-7(11)12)9(15)17-10(16)6(2)4-8(13)14/h1-4H2,(H,11,12)(H,13,14)",C5H4O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18959,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.835,WUMZGERPLWVMDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.629,224-890-7,4540-33-4,Piperidinium acetate,piperidinium acetate,CC(=O)[O-].C1CC[NH2+]CC1,CC(=O)[O-].C1CC[NH2+]CC1,"InChI=1/C5H11N.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h6H,1-5H2;1H3,(H,3,4)",C5H11N.C2H4O2,,,,,,RAIYODFGMLZUDF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.632,224-893-3,4542-46-5,Morpholin-4-ylethylthiol,4-(ethylsulfanyl)morpholine,CCSN1CCOCC1,CCSN1CCOCC1,"InChI=1/C6H13NOS/c1-2-9-7-3-5-8-6-4-7/h2-6H2,1H3",C6H13NOS,,,,,,BUNSTGGAUQAYHE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.638,224-901-5,4543-96-8,"N,N,N'-trimethylpropane-1,3-diamine","N,N,N'-trimethylpropane-1,3-diamine",CNCCCN(C)C,CNCCCN(C)C,"InChI=1/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3",C6H16N2,,,,,,SORARJZLMNRBAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.639,224-902-0,7/04/4546,"Tetraethyl [1,4-phenylenebis(methylene)]bisphosphonate","tetraethyl [1,4-phenylenebis(methylene)]bis(phosphonate)",CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)cc1)OCC,CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)cc1)OCC,"InChI=1/C16H28O6P2/c1-5-19-23(17,20-6-2)13-15-9-11-16(12-10-15)14-24(18,21-7-3)22-8-4/h9-12H,5-8,13-14H2,1-4H3",C16H28O6P2,,,,,,XTKQUBKFKSHRPS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.649,224-913-0,4549-33-1,"1,9-dibromononane","1,9-dibromononane",BrCCCCCCCCCBr,BrCCCCCCCCCBr,InChI=1/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2,C9H18Br2,,,,,,WGAXVZXBFBHLMC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.656,224-920-9,4551-95-5,2-(1H-purin-6-ylamino)ethanol,2-(1H-purin-6-ylamino)ethanol,OCCNc1[nH]cnc2ncnc12,OCCNc1[nH]cnc2ncnc12,"InChI=1/C7H9N5O/c13-2-1-8-6-5-7(10-3-9-5)12-4-11-6/h3-4,13H,1-2H2,(H2,8,9,10,11,12)",C7H9N5O,,,,,,QFSMBOBIZVSDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.662,220-528-7,9/08/2796,"2-(1,1,2,2-tetrafluoroethoxy)naphthalene","2-(1,1,2,2-tetrafluoroethoxy)naphthalene",FC(F)C(F)(F)Oc1ccc2ccccc2c1,FC(F)C(F)(F)Oc1ccc2ccccc2c1,"InChI=1/C12H8F4O/c13-11(14)12(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",C12H8F4O,,,,,,WIZIHZWINSXQHH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.663,220-529-2,2797-51-5,"2-amino-3-chloro-1,4-naphthoquinone","2-amino-3-chloro-1,4-naphthoquinone",NC1=C(Cl)C(=O)c2ccccc2C1=O,NC1=C(Cl)C(=O)c2ccccc2C1=O,"InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2",C10H6ClNO2,,,,,,OBLNWSCLAYSJJR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.665,220-531-3,2798-73-4,But-1-en-3-ynyl methyl ether,1-methoxybut-1-en-3-yne,C#CC=COC,C#CC=COC,"InChI=1/C5H6O/c1-3-4-5-6-2/h1,4-5H,2H3",C5H6O,,,,,,VTWTUVLDYHBQTC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.668,220-535-5,2799-19-1,Bis[(2-hydroxyethyl)ammonium] oxalate,bis(2-hydroxyethanaminium) oxalate,[NH3+]CCO.[NH3+]CCO.[O-]C(=O)C(=O)[O-],[NH3+]CCO.[NH3+]CCO.[O-]C(=O)C(=O)[O-],"InChI=1/2C2H7NO.C2H2O4/c2*3-1-2-4;3-1(4)2(5)6/h2*4H,1-3H2;(H,3,4)(H,5,6)",C2H7NO.1/2C2H2O4,,,,,,LRWMQRKAIGWOKP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.673,220-540-2,2801-68-5,"2,5-dimethoxy-a-methylphenethylamine","1-(2,5-dimethoxyphenyl)propan-2-amine",COc1ccc(OC)c(CC(C)N)c1,COc1ccc(OC)c(CC(C)N)c1,"InChI=1/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3",C11H17NO2,,,,,,LATVFYDIBMDBSY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.676,220-543-9,2802-68-8,"Hydrogen trifluoromethoxyborate(1-), compound with methanol (1:1)",hydrogen trifluoro(methanolato)borate(1-) methanol (1:1),CO.CO[B-](F)(F)F,CO.CO[B-](F)(F)F,"InChI=1/CH3BF3O.CH4O/c1-6-2(3,4)5;1-2/h1H3;2H,1H3/q-1;",CH4O.CH3BF3O.H,,,,,,ZSKWKIJIAHNTRI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.680,220-548-6,2807-30-9,2-(propyloxy)ethanol,2-propoxyethanol,CCCOCCO,CCCOCCO,"InChI=1/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3",C5H12O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5863,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.680,YEYKMVJDLWJFOA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.685,220-553-3,2809-67-8,Oct-2-yne,oct-2-yne,CCCCCC#CC,CCCCCC#CC,"InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3,5,7-8H2,1-2H3",C8H14,,,,,,QCQALVMFTWRCFI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.689,220-558-0,2812-46-6,tert-butyl L-prolinate,tert-butyl L-prolinate,CC(C)(C)OC(=O)[C@@H]1CCCN1,CC(C)(C)OC(=O)[C@@H]1CCCN1,"InChI=1/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3",C9H17NO2,,,,,,XJJBXZIKXFOMLP-ZETCQYMHSA-N,,,,,,,,,,,
100.018.691,220-560-1,2813-95-8,Dinoseb acetate,"2-sec-butyl-4,6-dinitrophenyl acetate",CCC(C)c1cc(cc(c1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-],CCC(C)c1cc(cc(c1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3",C12H14N2O6,,,,,,RDJTWDKSYLLHRW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.697,220-566-4,8/12/2816,"4-isopropyloxazolidine-2,5-dione","4-isopropyl-1,3-oxazolidine-2,5-dione",CC(C)C1NC(=O)OC1=O,CC(C)C1NC(=O)OC1=O,"InChI=1/C6H9NO3/c1-3(2)4-5(8)10-6(9)7-4/h3-4H,1-2H3,(H,7,9)",C6H9NO3,,,,,,XNCNNYXFGGTEMT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.698,220-568-5,2816-24-2,2-nitrophenyl ß-D-glucopyranoside,2-nitrophenyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,KUWPCJHYPSUOFW-RMPHRYRLSA-N,,,,,,,,,,,
100.017.536,219-288-6,2403-58-9,p-(diethoxymethyl)anisole,1-(diethoxymethyl)-4-methoxybenzene,CCOC(OCC)c1ccc(OC)cc1,CCOC(OCC)c1ccc(OC)cc1,"InChI=1/C12H18O3/c1-4-14-12(15-5-2)10-6-8-11(13-3)9-7-10/h6-9,12H,4-5H2,1-3H3",C12H18O3,,,,,,FTTLMNXOYOVHAG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.916,223-007-2,5/05/3692,"N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(3-hydroxynaphthalene-2-carboxamide)","N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)bis(3-hydroxy-2-naphthamide)",Cc1cc(ccc1NC(=O)c2cc3ccccc3cc2O)c4ccc(NC(=O)c5cc6ccccc6cc5O)c(C)c4,Cc1cc(ccc1NC(=O)c2cc3ccccc3cc2O)c4ccc(NC(=O)c5cc6ccccc6cc5O)c(C)c4,"InChI=1/C36H28N2O4/c1-21-15-27(11-13-31(21)37-35(41)29-17-23-7-3-5-9-25(23)19-33(29)39)28-12-14-32(22(2)16-28)38-36(42)30-18-24-8-4-6-10-26(24)20-34(30)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42)",C36H28N2O4,,,,,,DXHOYLITXFGHBW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.920,223-011-4,3693-53-6,Diethyl methylenedicarbamate,diethyl methylenebiscarbamate,CCOC(=O)NCNC(=O)OCC,CCOC(=O)NCNC(=O)OCC,"InChI=1/C7H14N2O4/c1-3-12-6(10)8-5-9-7(11)13-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)",C7H14N2O4,,,,,,QSPOJWMZYOMAEI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.921,223-013-5,3694-52-8,3-nitro-o-phenylenediamine,"3-nitrobenzene-1,2-diamine",Nc1cccc(c1N)N(=O)=O,Nc1cccc(c1N)N(=O)=O,"InChI=1/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2",C6H7N3O2,,,,,,IOCXBXZBNOYTLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.930,223-022-4,3696-23-9,4-chlorophenyl-2-thiourea,1-(4-chlorophenyl)thiourea,NC(=S)Nc1ccc(Cl)cc1,NC(=S)Nc1ccc(Cl)cc1,"InChI=1/C7H7ClN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)",C7H7ClN2S,,,,,,XVEFWRUIYOXUGG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.939,223-032-9,3699-54-5,1-(2-hydroxyethyl)imidazolidin-2-one,1-(2-hydroxyethyl)imidazolidin-2-one,OCCN1CCNC1=O,OCCN1CCNC1=O,"InChI=1/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)",C5H10N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12698,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.939,HBAIZGPCSAAFSU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.941,223-035-5,3700-59-2,N-(2-aminoethyl)-N'-dodecylethylenediamine,"N-(2-aminoethyl)-N'-dodecylethane-1,2-diamine",CCCCCCCCCCCCNCCNCCN,CCCCCCCCCCCCNCCNCCN,"InChI=1/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h18-19H,2-17H2,1H3",C16H37N3,,,,,,RRHLGOOTLYHTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.943,223-037-6,3700-67-2,Dimethyldioctadecylammonium bromide,"N,N-dimethyl-N-octadecyloctadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,"InChI=1/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1",C38H80N.Br,,,,,,PSLWZOIUBRXAQW-UHFFFAOYSA-M,,,,,,,,,,,
100.020.945,223-039-7,3700-71-8,"1,4-didodecyl sulphosuccinate","1,4-bis(dodecyloxy)-1,4-dioxobutane-2-sulfonic acid",CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)O,CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)O,"InChI=1/C28H54O7S/c1-3-5-7-9-11-13-15-17-19-21-23-34-27(29)25-26(36(31,32)33)28(30)35-24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,31,32,33)",C28H54O7S,,,,,,OMMMUWNDGQFGDV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.947,223-041-8,3702-98-5,"Ethyl 4,4,4-trichloro-3-oxobutyrate","ethyl 4,4,4-trichloro-3-oxobutanoate",CCOC(=O)CC(=O)C(Cl)(Cl)Cl,CCOC(=O)CC(=O)C(Cl)(Cl)Cl,"InChI=1/C6H7Cl3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3",C6H7Cl3O3,,,,,,XGIRWPYENXRJMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.950,223-044-4,3703-84-2,"Dithiocarbamic acid, compound with piperazine",carbamodithioic acid - piperazine (1:1),NC(=S)S.C1CNCCN1,NC(=S)S.C1CNCCN1,"InChI=1/C4H10N2.CH3NS2/c1-2-6-4-3-5-1;2-1(3)4/h5-6H,1-4H2;(H3,2,3,4)",C4H10N2.xCH3NS2,,,,,,AGKZZTAKVYWQLA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.955,223-050-7,3709-18-0,"2,2,5-trimethyl-1,3-dioxane-4,6-dione","2,2,5-trimethyl-1,3-dioxane-4,6-dione",CC1C(=O)OC(C)(C)OC1=O,CC1C(=O)OC(C)(C)OC1=O,"InChI=1/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h4H,1-3H3",C7H10O4,,,,,,KJMCAXYHYPDRAV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.917,216-407-3,1576-35-8,Toluene-4-sulphonohydrazide,4-methylbenzenesulfonohydrazide,Cc1ccc(cc1)S(=O)(=O)NN,Cc1ccc(cc1)S(=O)(=O)NN,"InChI=1/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3",C7H10N2O2S,,,,,,ICGLPKIVTVWCFT-UHFFFAOYSA-N,,,,,,,,,,,
100.014.922,216-413-6,1576-85-8,Pent-4-ene-1-yl acetate,pent-4-en-1-yl acetate,CC(=O)OCCCC=C,CC(=O)OCCCC=C,"InChI=1/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3",C7H12O2,,,,,,LVHDNIMNOMRZMF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.923,216-414-1,1576-87-0,(E)-pent-2-en-1-al,pent-2-enal,CC\\C=C\\C=O,CC\C=C\C=O,"InChI=1/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3",C5H8O,,,,,,DTCCTIQRPGSLPT-ONEGZZNKSA-N,,,,,,,,,,,
100.014.925,216-416-2,1576-96-1,(E)-pent-2-en-1-ol,pent-2-en-1-ol,CC\\C=C\\CO,CC\C=C\CO,"InChI=1/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3",C5H10O,,,,,,BTSIZIIPFNVMHF-ONEGZZNKSA-N,,,,,,,,,,,
100.014.928,216-419-9,1577-55-5,"9-octadecene-1,12-diol","octadec-9-ene-1,12-diol",CCCCCCC(O)CC=CCCCCCCCCO,CCCCCCC(O)CC=CCCCCCCCCO,"InChI=1/C18H36O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3",C18H36O2,,,,,,DKBBOWMEYUBDGN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.088,220-996-2,2961-63-9,"Potassium 4-hydroxy-3,5-diiodophenylcyanide",-,[K+].Oc1c(I)cc(cc1I)C#N,[K+].Oc1c(I)cc(cc1I)C#N,"InChI=1/C7H3I2NO.K/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1",C7H3I2NO.K,,,,,,FJLYTRTWDLNGID-UHFFFAOYSA-N,,,,,,,,,,,
100.019.089,220-997-8,2961-67-3,"Sodium 3,5-dibromo-4-hydroxyphenylcyanide",-,[Na+].Oc1c(Br)cc(cc1Br)C#N,[Na+].Oc1c(Br)cc(cc1Br)C#N,"InChI=1/C7H3Br2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1",C7H3Br2NO.Na,,,,,,AMWJYRKCJBFTAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.099,221-008-2,2971-90-6,Clopidol,"3,5-dichloro-2,6-dimethylpyridin-4-ol",Cc1nc(C)c(Cl)c(O)c1Cl,Cc1nc(C)c(Cl)c(O)c1Cl,"InChI=1/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)",C7H7Cl2NO,,,,,,ZDPIZLCVJAAHHR-UHFFFAOYSA-N,Positive,AU108302|AU108303|AU108304|AU108305,[M+H]+,CID20|CID30|CID40|CID50,191.9971:193.9942:193.0003|191.9973:193.9944:157.0282|191.9975:157.0281:193.995|156.0204:128.0256:157.0291,Athens_Univ,,,,,
100.019.106,221-016-6,2973-76-4,5-bromovanillin,3-bromo-4-hydroxy-5-methoxybenzaldehyde,COc1cc(C=O)cc(Br)c1O,COc1cc(C=O)cc(Br)c1O,"InChI=1/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3",C8H7BrO3,,,,,,KLSHZDPXXKAHIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.109,221-019-2,2975-34-0,Carfenazine hydrogen maleate,1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one but-2-enedioate (salt),CCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1.OC(=O)\\C=C/C(=O)O,CCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1.OC(=O)\C=C/C(=O)O,"InChI=1/C24H31N3O2S.C4H4O4/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28;5-3(6)1-2-4(7)8/h3-4,6-9,18,28H,2,5,10-17H2,1H3;1-2H,(H,5,6)(H,7,8)",C24H31N3O2S.2C4H4O4,,,,,,ZQYMISSXVDTVFZ-BTJKTKAUSA-N,,,,,,,,,,,
100.017.112,218-822-5,2243-83-6,2-naphthoyl chloride,2-naphthoyl chloride,ClC(=O)c1ccc2ccccc2c1,ClC(=O)c1ccc2ccccc2c1,InChI=1/C11H7ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,C11H7ClO,,,,,,XNLBCXGRQWUJLU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.118,218-828-8,2244-21-5,Troclosene potassium,"potassium 1,5-dichloro-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olate",[K+].[O-]C1=NC(=O)N(Cl)C(=O)N1Cl,[K+].[O-]C1=NC(=O)N(Cl)C(=O)N1Cl,"InChI=1/C3HCl2N3O3.K/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1",C3HCl2N3O3.K,,,,,,IFIDXBCRSWOUSB-UHFFFAOYSA-M,,,,,,,,,,,
100.018.627,220-489-6,2783-17-7,Dodecamethylenediamine,"dodecane-1,12-diamine",NCCCCCCCCCCCCN,NCCCCCCCCCCCCN,InChI=1/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2,C12H28N2,,,,,,QFTYSVGGYOXFRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.630,220-492-2,2784-27-2,"5-(4-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione","5-(4-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione",Oc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3,Oc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3,"InChI=1/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)",C15H12N2O3,,,,,,XEEDURHPFVXALT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.631,220-493-8,2784-55-6,Thenalidine tartrate,"1-methyl-N-phenyl-N-(2-thienylmethyl)piperidin-4-amine 2,3-dihydroxysuccinate (salt)",CN1CCC(CC1)N(Cc2cccs2)c3ccccc3.OC(C(O)C(=O)O)C(=O)O,CN1CCC(CC1)N(Cc2cccs2)c3ccccc3.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C17H22N2S.C4H6O6/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15;5-1(3(7)8)2(6)4(9)10/h2-8,13,16H,9-12,14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C17H22N2S.C4H6O6,,,,,,JNZAGODMPIMPAM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.643,220-507-2,2786-70-1,"2,3-dihydro-3-methyl-2-(3-methyl-3H-benzothiazol-2-ylidene)benzothiazole","3,3'-dimethyl-3H,3'H-2,2'-bi-1,3-benzothiazole",CN3c4ccccc4SC3=C2Sc1ccccc1N2C,CN3c4ccccc4SC3=C2Sc1ccccc1N2C,"InChI=1/C16H14N2S2/c1-17-11-7-3-5-9-13(11)19-15(17)16-18(2)12-8-4-6-10-14(12)20-16/h3-10H,1-2H3",C16H14N2S2,,,,,,JEEADTZIVQECKP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.645,220-509-3,2786-76-7,4-[[4-(aminocarbonyl)phenyl]azo]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide,4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxy-2-naphthamide,CCOc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2)C(N)=O)c3O,CCOc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2)C(N)=O)c3O,"InChI=1/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33)",C26H22N4O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14874,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.645,BGVYDWVAGZBEMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.648,220-513-5,2/02/2787,17a-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one,17-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one,C[C@]43CC(=CO)C(=O)\\C=C4\\CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(O)C#C,C[C@]43CC(=CO)C(=O)\C=C4\CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(O)C#C,"InChI=1/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3",C22H28O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11704,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.648,FYEOMZSZJFOTGQ-WNHSNXHDSA-N,,,,,,,,,,,
100.018.655,220-520-3,2789-92-6,"2-amino-3,5-dichlorobenzoic acid","2-amino-3,5-dichlorobenzoic acid",Nc1c(Cl)cc(Cl)cc1C(=O)O,Nc1c(Cl)cc(Cl)cc1C(=O)O,"InChI=1/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)",C7H5Cl2NO2,,,,,,KTHTXLUIEAIGCD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.693,218-362-5,2133-34-8,(S)-azetidine-2-carboxylic acid,azetidine-2-carboxylic acid,OC(=O)[C@@H]1CCN1,OC(=O)[C@@H]1CCN1,"InChI=1/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)",C4H7NO2,,,,,,IADUEWIQBXOCDZ-VKHMYHEASA-N,,,,,,,,,,,
100.016.842,218-526-6,2172-51-2,"2,2,3-tris(4-chlorophenyl)propiononitrile","2,2,3-tris(4-chlorophenyl)propanenitrile",Clc1ccc(CC(C#N)(c2ccc(Cl)cc2)c3ccc(Cl)cc3)cc1,Clc1ccc(CC(C#N)(c2ccc(Cl)cc2)c3ccc(Cl)cc3)cc1,"InChI=1/C21H14Cl3N/c22-18-7-1-15(2-8-18)13-21(14-25,16-3-9-19(23)10-4-16)17-5-11-20(24)12-6-17/h1-12H,13H2",C21H14Cl3N,,,,,,OQIURBPAGAGMNB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.845,218-529-2,2173-57-1,Isobutyl 2-naphthyl ether,2-isobutoxynaphthalene,CC(C)COc1ccc2ccccc2c1,CC(C)COc1ccc2ccccc2c1,"InChI=1/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3",C14H16O,,,,,,XOHIHZHSDMWWMS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.847,218-531-3,2174-16-5,"Salicylic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","2-hydroxybenzoic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)c1ccccc1O,OCCN(CCO)CCO.OC(=O)c1ccccc1O,"InChI=1/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2",C7H6O3.C6H15NO3,,,,,,UEVAMYPIMMOEFW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.853,218-538-1,2177-18-6,Vinyl acrylate,vinyl acrylate,C=COC(=O)C=C,C=COC(=O)C=C,"InChI=1/C5H6O2/c1-3-5(6)7-4-2/h3-4H,1-2H2",C5H6O2,,,,,,BLCTWBJQROOONQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.859,218-544-4,2178-97-4,"S-[5-(butylthio)-1,3,4-thiadiazol-2-yl] O-ethyl thiocarbonate","S-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl] O-ethyl thiocarbonate",CCCCSc1nnc(SC(=O)OCC)s1,CCCCSc1nnc(SC(=O)OCC)s1,"InChI=1/C9H14N2O2S3/c1-3-5-6-14-7-10-11-8(15-7)16-9(12)13-4-2/h3-6H2,1-2H3",C9H14N2O2S3,,,,,,BNLQCEFCOJBPRR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.861,218-547-0,2179-37-5,Bencyclane,"3-[(1-benzylcycloheptyl)oxy]-N,N-dimethylpropan-1-amine",CN(C)CCCOC1(Cc2ccccc2)CCCCCC1,CN(C)CCCOC1(Cc2ccccc2)CCCCCC1,"InChI=1/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3",C19H31NO,,,,,,FYJJXENSONZJRG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.862,218-548-6,2179-57-9,Diallyl disulphide,"3,3'-disulfanediylbis(prop-1-ene)",C=CCSSCC=C,C=CCSSCC=C,"InChI=1/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2",C6H10S2,,,,,,PFRGXCVKLLPLIP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.867,218-553-3,2180-92-9,Bupivacaine,"1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide",CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C,CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C,"InChI=1/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)",C18H28N2O,,,,,,LEBVLXFERQHONN-UHFFFAOYSA-N,Positive,EQ330501|EQ330502|EQ330503|EQ330504|EQ330505|EQ330506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,289.2274:140.1433:84.0808|140.1434:289.2275:150.0913|140.1435:98.0965:84.0808|140.1435:98.0964:84.0808|140.1434:84.0808:98.0964|84.0808:140.1434:98.0965,Eawag,,,,,
100.016.868,218-554-9,6/04/2181,Potassium canrenoate,"potassium 3-(17-hydroxy-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoate (non-preferred name)",[K+].C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)CCC(=O)[O-],[K+].C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)CCC(=O)[O-],"InChI=1/C22H30O4.K/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25;/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25);/q;+1/p-1",C22H30O4.K,,,,,,JTZQCHFUGHIPDF-RYVBEKKQSA-M,,,,,,,,,,,
100.021.562,223-717-2,4033-46-9,S-(2-carboxyethyl)-L-cysteine,N-(2-carboxyethyl)-L-cysteine,OC(=O)CCN[C@@H](CS)C(=O)O,OC(=O)CCN[C@@H](CS)C(=O)O,"InChI=1/C6H11NO4S/c8-5(9)1-2-7-4(3-12)6(10)11/h4,7,12H,1-3H2,(H,8,9)(H,10,11)",C6H11NO4S,,,,,,CAMXXPUSAROUCX-BYPYZUCNSA-N,,,,,,,,,,,
100.021.570,223-726-1,4039-63-8,1-(2-isopropoxy-1-methylethoxy)propan-2-ol,1-(2-isopropoxy-1-methylethoxy)propan-2-ol,CC(C)OCC(C)OCC(C)O,CC(C)OCC(C)OCC(C)O,"InChI=1/C9H20O3/c1-7(2)11-6-9(4)12-5-8(3)10/h7-10H,5-6H2,1-4H3",C9H20O3,,,,,,FWYJECFVUAJCPF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.571,223-727-7,4040-48-6,Magnesium dilaurate,magnesium didodecanoate,[Mg+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Mg,,,,,,BJZBHTNKDCBDNQ-UHFFFAOYSA-L,,,,,,,,,,,
100.021.577,223-734-5,4042-30-2,Parvaquone,"2-cyclohexyl-3-hydroxy-1,4-naphthoquinone",OC1=C(C2CCCCC2)C(=O)c3ccccc3C1=O,OC1=C(C2CCCCC2)C(=O)c3ccccc3C1=O,"InChI=1/C16H16O3/c17-14-11-8-4-5-9-12(11)15(18)16(19)13(14)10-6-2-1-3-7-10/h4-5,8-10,19H,1-3,6-7H2",C16H16O3,,,,,,JBFUOGRCSLVENL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.588,223-746-0,4046-24-6,"5-(1-methyl-4-piperidyl)-5H-dibenzo[a,d]cyclohepten-5-ol hydrochloride","5-(1-methylpiperidin-4-yl)-5H-dibenzo[a,d][7]annulen-5-ol hydrochloride",Cl.CN1CCC(CC1)C2(O)c3ccccc3C=Cc4ccccc24,Cl.CN1CCC(CC1)C2(O)c3ccccc3C=Cc4ccccc24,"InChI=1/C21H23NO.ClH/c1-22-14-12-18(13-15-22)21(23)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11,18,23H,12-15H2,1H3;1H",C21H23NO.ClH,,,,,,URAYISXEIULZEL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.589,223-747-6,4047-75-0,4-[(5-carbamoyl-o-tolyl)azo]-3-hydroxy-2'-methyl-2-naphth-p-anisidide,4-[(5-carbamoyl-2-methylphenyl)diazenyl]-3-hydroxy-N-(4-methoxy-2-methylphenyl)-2-naphthamide,COc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4cc(ccc4C)C(=O)N)c2O)c(C)c1,COc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4cc(ccc4C)C(=O)N)c2O)c(C)c1,"InChI=1/C27H24N4O4/c1-15-8-9-18(26(28)33)14-23(15)30-31-24-20-7-5-4-6-17(20)13-21(25(24)32)27(34)29-22-11-10-19(35-3)12-16(22)2/h4-14,32H,1-3H3,(H2,28,33)(H,29,34)",C27H24N4O4,,,,,,PRULGZSPPPDLDT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.701,220-571-1,2817-13-2,N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-L-alanine,N-[(benzyloxy)carbonyl]-D-leucyl-L-alanine,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O,"InChI=1/C17H24N2O5/c1-11(2)9-14(15(20)18-12(3)16(21)22)19-17(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)",C17H24N2O5,,,,,,CWMXJBNCYBDNTJ-JSGCOSHPSA-N,,,,,,,,,,,
100.018.702,220-572-7,2818-16-8,"Potassium 2-(2,4,5-trichlorophenoxy)propionate","potassium 2-(2,4,5-trichlorophenoxy)propanoate",[K+].CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],[K+].CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H7Cl3O3.K/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;/h2-4H,1H3,(H,13,14);/q;+1/p-1",C9H7Cl3O3.K,,,,,,UGXBNNSVMGXPQG-UHFFFAOYSA-M,,,,,,,,,,,
100.018.703,220-573-2,2818-58-8,Phenyl ß-D-galactopyranoside,phenyl beta-D-galactopyranoside,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2",C12H16O6,,,,,,NEZJDVYDSZTRFS-YBXAARCKSA-N,,,,,,,,,,,
100.016.744,218-417-3,2149-36-2,Quinolin-8-yl hydrogen sulphate,quinolin-8-yl hydrogen sulfate,OS(=O)(=O)Oc1cccc2cccnc12,OS(=O)(=O)Oc1cccc2cccnc12,"InChI=1/C9H7NO4S/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13)",C9H7NO4S,,,,,,LZWNCISSBNEUOF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.747,218-421-5,9/02/2150,"2,2'-oxydiethanethiol","2,2'-oxydiethanethiol",SCCOCCS,SCCOCCS,"InChI=1/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2",C4H10OS2,,,,,,CNDCQWGRLNGNNO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.748,218-422-0,2150-33-6,Disodium 2-[4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]phenyl]-6-methylbenzothiazole-7-sulphonate,"disodium 2-{4-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4cc(N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)c(O)c5ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c4cc(N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)c(O)c5ccccc45,"InChI=1/C24H17N3O7S3.2Na/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28;;/h2-12,28H,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C24H17N3O7S3.2Na,,,,,,IUCFJXIRNJWRPI-UHFFFAOYSA-L,,,,,,,,,,,
100.016.749,218-423-6,2150-37-0,"Methyl 3,5-dimethoxybenzoate","methyl 3,5-dimethoxybenzoate",COC(=O)c1cc(OC)cc(OC)c1,COC(=O)c1cc(OC)cc(OC)c1,"InChI=1/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3",C10H12O4,,,,,,YXUIOVUOFQKWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.254,220-078-1,2623-50-9,"5,8-dimethylquinoline","5,8-dimethylquinoline",Cc1ccc(C)c2ncccc12,Cc1ccc(C)c2ncccc12,"InChI=1/C11H11N/c1-8-5-6-9(2)11-10(8)4-3-7-12-11/h3-7H,1-2H3",C11H11N,,,,,,VVLZEQKZPNOPNS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.263,220-088-6,2624-31-9,Potassium palmitate,potassium palmitate,[K+].CCCCCCCCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1",C16H32O2.K,,,,,,MQOCIYICOGDBSG-UHFFFAOYSA-M,,,,,,,,,,,
100.018.265,220-090-7,2624-44-4,Etamsylate,"2,5-dihydroxybenzenesulfonic acid - N-ethylethanamine (1:1)",CCNCC.Oc1ccc(O)c(c1)S(=O)(=O)O,CCNCC.Oc1ccc(O)c(c1)S(=O)(=O)O,"InChI=1/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3",C6H6O5S.C4H11N,,,,,,HBGOLJKPSFNJSD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.269,220-094-9,2627-27-2,3-phenylpropyl isothiocyanate,(3-isothiocyanatopropyl)benzene,S=C=NCCCc1ccccc1,S=C=NCCCc1ccccc1,"InChI=1/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2",C10H11NS,,,,,,GRUOGLPIAPZLHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.273,220-099-6,2627-95-4,"1,1,3,3-tetramethyl-1,3-divinyldisiloxane","1,1,3,3-tetramethyl-1,3-divinyldisiloxane",C[Si](C)(O[Si](C)(C)C=C)C=C,C[Si](C)(O[Si](C)(C)C=C)C=C,"InChI=1/C8H18OSi2/c1-7-10(3,4)9-11(5,6)8-2/h7-8H,1-2H2,3-6H3",C8H18OSi2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14606,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.273,BITPLIXHRASDQB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.280,220-107-8,2629-72-3,3-(4-pyridyl)propan-1-ol,3-pyridin-4-ylpropan-1-ol,OCCCc1ccncc1,OCCCc1ccncc1,"InChI=1/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H2",C8H11NO,,,,,,PZVZGDBCMQBRMA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.282,220-109-9,2630-15-1,"Octyl (2,4,5-trichlorophenoxy)acetate","octyl (2,4,5-trichlorophenoxy)acetate",CCCCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C16H21Cl3O3/c1-2-3-4-5-6-7-8-21-16(20)11-22-15-10-13(18)12(17)9-14(15)19/h9-10H,2-8,11H2,1H3",C16H21Cl3O3,,,,,,VXWISAHTAQYMSH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.285,220-113-0,2631-37-0,Promecarb,3-isopropyl-5-methylphenyl methylcarbamate,CNC(=O)Oc1cc(C)cc(c1)C(C)C,CNC(=O)Oc1cc(C)cc(c1)C(C)C,"InChI=1/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)",C12H17NO2,,,,,,DTAPQAJKAFRNJB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.287,220-115-1,2631-68-7,"1,3,5-trichlorotrinitrobenzene","1,3,5-trichloro-2,4,6-trinitrobenzene",O=[N+]([O-])c1c(Cl)c(c(Cl)c([N+]([O-])=O)c1Cl)[N+]([O-])=O,O=[N+]([O-])c1c(Cl)c(c(Cl)c([N+]([O-])=O)c1Cl)[N+]([O-])=O,InChI=1/C6Cl3N3O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16,C6Cl3N3O6,,,,,,LZMONXBJUOXABQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.933,216-425-1,1580-50-3,"2-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazole","2-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazole",Fc1ccc(cc1)c2oc(nn2)c3ccccc3,Fc1ccc(cc1)c2oc(nn2)c3ccccc3,InChI=1/C14H9FN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H,C14H9FN2O,,,,,,QHKMUJVIGDJRLU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.943,216-436-1,1584-03-8,"1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-4-ene","1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene",FC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F,FC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F,"InChI=1/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15",C6F12,,,,,,FAEGGADNHFKDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.014.944,216-437-7,1584-62-9,2-bromo-4'-chloro-2'-(o-fluorobenzoyl)acetanilide,2-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide,Fc1ccccc1C(=O)c2cc(Cl)ccc2NC(=O)CBr,Fc1ccccc1C(=O)c2cc(Cl)ccc2NC(=O)CBr,"InChI=1/C15H10BrClFNO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)",C15H10BrClFNO2,,,,,,WUZSFIKFFXBHMB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.950,216-444-5,1586-10-3,"10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-ylammonium chloride","10,11-dihydro-5H-dibenzo[a,d][7]annulen-10-aminium chloride",[Cl-].[NH3+]C1Cc2ccccc2Cc3ccccc13,[Cl-].[NH3+]C1Cc2ccccc2Cc3ccccc13,"InChI=1/C15H15N.ClH/c16-15-10-12-6-2-1-5-11(12)9-13-7-3-4-8-14(13)15;/h1-8,15H,9-10,16H2;1H",C15H15N.ClH,,,,,,WDGQNNMGINPRQL-UHFFFAOYSA-N,,,,,,,,,,,
100.014.951,216-445-0,1586-73-8,"1,1,1-trimethyl-N,N-bis(trimethylsilyl)silylamine","1,1,1-trimethyl-N,N-bis(trimethylsilyl)silanamine",C[Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C,C[Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C,"InChI=1/C9H27NSi3/c1-11(2,3)10(12(4,5)6)13(7,8)9/h1-9H3",C9H27NSi3,,,,,,PEGHITPVRNZWSI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.958,216-452-9,1588-79-0,Cobalt dioctanoate,cobalt(2+) dioctanoate,[Co+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Co+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Co/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Co,,,,,,HWVKIRQMNIWOLT-UHFFFAOYSA-L,,,,,,,,,,,
100.014.961,216-456-0,1589-60-2,1-phenylcyclohexanol,1-phenylcyclohexanol,OC1(CCCCC1)c2ccccc2,OC1(CCCCC1)c2ccccc2,"InChI=1/C12H16O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2",C12H16O,,,,,,DTTDXHDYTWQDCS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.962,216-457-6,1589-61-3,Cyclohexanal semicarbazone,cyclohexanone semicarbazone,NC(=O)NN=C1CCCCC1,NC(=O)NN=C1CCCCC1,"InChI=1/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)",C7H13N3O,,,,,,KZDDDHJBINUIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.964,216-459-7,1589-82-8,Benzylbromomagnesium,benzyl(bromo)magnesium,Br[Mg]Cc1ccccc1,Br[Mg]Cc1ccccc1,"InChI=1/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q;;+1/p-1/rC7H7BrMg/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7BrMg,,,,,,UHPSYHZSDNXIHK-UHFFFAOYSA-M,,,,,,,,,,,
100.014.966,216-461-8,1590-08-5,"1,2,3,4-tetrahydro-2-methylnaphthalen-1-one","2-methyl-3,4-dihydronaphthalen-1(2H)-one",CC1CCc2ccccc2C1=O,CC1CCc2ccccc2C1=O,"InChI=1/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3",C11H12O,,,,,,GANIBVZSZGNMNB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.967,216-462-3,1590-35-8,(a-methylphenethyl)(1-methyl-2-phenoxyethyl)ammonium hydrogen fumarate,N-(1-methyl-2-phenylethyl)-1-phenoxypropan-2-aminium hydrogen but-2-enedioate,CC(COc1ccccc1)[NH2+]C(C)Cc2ccccc2.[O-]C(=O)\\C=C\\C(=O)[O-],CC(COc1ccccc1)[NH2+]C(C)Cc2ccccc2.[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C18H23NO.C4H4O4/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h3-12,15-16,19H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1",C18H23NO.C4H4O4,,,,,,PVNHTDOWUIYZFC-WLHGVMLRSA-M,,,,,,,,,,,
100.039.449,243-410-7,19894-98-5,"[1R-(1a,3ß,5a)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol","6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol",CC1(C)C2CC(O)C(=C)C1C2,CC1(C)C2CC(O)C(=C)C1C2,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3",C10H16O,,,,,,LCYXQUJDODZYIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.451,243-412-8,19896-17-4,"1,1'-(2-methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione","1,1'-(2-methyl-1,3-phenylene)bis(1H-pyrrole-2,5-dione)",Cc1c(cccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,Cc1c(cccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,"InChI=1/C15H10N2O4/c1-9-10(16-12(18)5-6-13(16)19)3-2-4-11(9)17-14(20)7-8-15(17)21/h2-8H,1H3",C15H10N2O4,,,,,,LNAIBNHJQKDBNR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.462,243-424-3,19910-65-7,Bis-sec-butyl peroxydicarbonate,"2,2'-[dioxybis(carbonyloxy)]dibutane",CCC(C)OC(=O)OOC(=O)OC(C)CC,CCC(C)OC(=O)OOC(=O)OC(C)CC,"InChI=1/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3",C10H18O6,,,,,,NSGQRLUGQNBHLD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.467,243-430-6,19931-87-4,2-phenyl-1H-indole-1-propiononitrile,3-(2-phenyl-1H-indol-1-yl)propanenitrile,N#CCCn1c(cc2ccccc12)c3ccccc3,N#CCCn1c(cc2ccccc12)c3ccccc3,"InChI=1/C17H14N2/c18-11-6-12-19-16-10-5-4-9-15(16)13-17(19)14-7-2-1-3-8-14/h1-5,7-10,13H,6,12H2",C17H14N2,,,,,,DOMRPZRFDJPHCC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.694,218-363-0,2133-40-6,Methyl L-prolinate hydrochloride,methyl L-prolinate hydrochloride,Cl.COC(=O)[C@@H]1CCCN1,Cl.COC(=O)[C@@H]1CCCN1,"InChI=1/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H",C6H11NO2.ClH,,,,,,HQEIPVHJHZTMDP-JEDNCBNOSA-N,,,,,,,,,,,
100.016.698,218-367-2,2134-98-7,"Methyl (20ß)-19,20-dihydro-3-oxovobasan-17-oate","methyl 3-oxo-19,20-dihydrovobasan-17-oate",CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC,CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC,"InChI=1/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3",C21H26N2O3,,,,,,FFVRRQMGGGTQRH-DTPILHQWSA-N,,,,,,,,,,,
100.016.708,218-378-2,2137-18-0,Gestonorone,17-acetyl-17-hydroxyestr-4-en-3-one,CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C,CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C,"InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3",C20H28O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12085,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.708,GTFUITFQDGVJSK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.713,218-384-5,2138-43-4,4-isopropylpyrocatechol,"4-isopropylbenzene-1,2-diol",CC(C)c1ccc(O)c(O)c1,CC(C)c1ccc(O)c(O)c1,"InChI=1/C9H12O2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6,10-11H,1-2H3",C9H12O2,,,,,,WYVMDJWLFVQZAL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.718,218-389-2,2140-52-5,Iron acetate,iron(2+) diacetate,[Fe+2].CC(=O)[O-].CC(=O)[O-],[Fe+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Fe/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.xFe,,,,,,LNOZJRCUHSPCDZ-UHFFFAOYSA-L,,,,,,,,,,,
100.016.720,218-391-3,2141-04-0,2-(2-aminoethyl)isothiouronium bromide,amino[(2-aminoethyl)sulfanyl]methaniminium bromide,[Br-].NCCSC(=[NH2+])N,[Br-].NCCSC(=[NH2+])N,"InChI=1/C3H9N3S.BrH/c4-1-2-7-3(5)6;/h1-2,4H2,(H3,5,6);1H",C3H9N3S.BrH,,,,,,YFXFDZKYCRAMCM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.722,218-393-4,2141-62-0,3-ethoxypropiononitrile,3-ethoxypropanenitrile,CCOCCC#N,CCOCCC#N,"InChI=1/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3",C5H9NO,,,,,,DCWQZPJHHVLHSV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.729,218-401-6,2142-94-1,Neryl formate,"3,7-dimethylocta-2,6-dien-1-yl formate",CC(=CCC\\C(=C\\COC=O)\\C)C,CC(=CCC\C(=C\COC=O)\C)C,"InChI=1/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3",C11H18O2,,,,,,FQMZVFJYMPNUCT-YRNVUSSQSA-N,,,,,,,,,,,
100.016.735,218-407-9,2144-53-8,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3",C12H9F13O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14308,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.735,CDXFIRXEAJABAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.739,218-412-6,2146-36-3,Perhydroacenaphthene,dodecahydroacenaphthylene,C1CC2CCCC3CCC(C1)C23,C1CC2CCCC3CCC(C1)C23,"InChI=1/C12H20/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h9-12H,1-8H2",C12H20,,,,,,FZDZWLDRELLWNN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.740,218-413-1,2146-37-4,Ethylidenecyclopentane,ethylidenecyclopentane,CC=C1CCCC1,CC=C1CCCC1,"InChI=1/C7H12/c1-2-7-5-3-4-6-7/h2H,3-6H2,1H3",C7H12,,,,,,VONKRKBGTZDZNV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.323,224-553-4,4405-18-9,"5-(1,3-dioxolan-2-yl)benzo-1,3-dioxole","5-(1,3-dioxolan-2-yl)-1,3-benzodioxole",C1COC(O1)c2ccc3OCOc3c2,C1COC(O1)c2ccc3OCOc3c2,"InChI=1/C10H10O4/c1-2-8-9(14-6-13-8)5-7(1)10-11-3-4-12-10/h1-2,5,10H,3-4,6H2",C10H10O4,,,,,,VKRLFWZYZOPSHP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.326,224-557-6,4408-64-4,Methyliminodiacetic acid,"2,2'-(methylimino)diacetic acid",CN(CC(=O)O)CC(=O)O,CN(CC(=O)O)CC(=O)O,"InChI=1/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)",C5H9NO4,,,,,,XWSGEVNYFYKXCP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.336,224-568-6,4411-99-8,2-ethyl-2-butenoic acid,2-ethylbut-2-enoic acid,CCC(=CC)C(O)=O,CCC(=CC)C(O)=O,"InChI=1/C6H10O2/c1-3-5(4-2)6(7)8/h3H,4H2,1-2H3,(H,7,8)",C6H10O2,,,,,,KFSQJVOLYQRELE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.338,224-570-7,4412-91-3,Furan-3-methanol,3-furylmethanol,OCc1cocc1,OCc1cocc1,"InChI=1/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2",C5H6O2,,,,,,STJIISDMSMJQQK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.340,224-572-8,4414-76-0,1H-indole-3-propiononitrile,3-(1H-indol-3-yl)propanenitrile,N#CCCc1c[nH]c2ccccc12,N#CCCc1c[nH]c2ccccc12,"InChI=1/C11H10N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4H2",C11H10N2,,,,,,QZBSQJAILQLCJF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.341,224-573-3,4414-79-3,1H-indole-1-propiononitrile,3-(1H-indol-1-yl)propanenitrile,N#CCCn1ccc2ccccc12,N#CCCn1ccc2ccccc12,"InChI=1/C11H10N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,8H2",C11H10N2,,,,,,AQVTZBHZFUIILH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.356,224-590-6,4/09/4421,"Benzo-1,3-dioxole-5-carbonitrile","1,3-benzodioxole-5-carbonitrile",N#Cc1ccc2OCOc2c1,N#Cc1ccc2OCOc2c1,"InChI=1/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2",C8H5NO2,,,,,,PKRWWZCDLJSJIF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.605,223-764-9,4055-63-4,Dichloroethoxytitanium,titanium(3+) dichloride ethanolate,CCO[Ti](Cl)Cl,CCO[Ti](Cl)Cl,"InChI=1/C2H5O.2ClH.Ti/c1-2-3;;;/h2H2,1H3;2*1H;/q-1;;;+3/p-2/rC2H5Cl2OTi/c1-2-5-6(3)4/h2H2,1H3",C2H5Cl2OTi,,,,,,SLXTURJWNUXTKP-UHFFFAOYSA-L,,,,,,,,,,,
100.021.608,223-768-0,4062-46-8,17ß-hydroxy-1a-methyl-5-aandrostan-3-one acetate,1-methyl-3-oxoandrostan-17-yl acetate,CC1CC(=O)CC2CCC3C4CCC(OC(=O)C)C4(C)CCC3C12C,CC1CC(=O)CC2CCC3C4CCC(OC(=O)C)C4(C)CCC3C12C,"InChI=1/C22H34O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h13,15,17-20H,5-12H2,1-4H3",C22H34O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1616,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.608,ZWCXCOXAEJHAHA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.611,223-771-7,6/06/4064,"1,2:3,4-di-O-isopropylidene-D-galactopyranose","(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methanol (non-preferred name)",CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1,CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1,"InChI=1/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3",C12H20O6,,,,,,POORJMIIHXHXAV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.233,222-255-9,3397-33-9,"Benzyl (S)-2-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]pyrrolidine-1-carboxylate","2,5-dioxopyrrolidin-1-yl 1-[(benzyloxy)carbonyl]-L-prolinate",O=C(ON1C(=O)CCC1=O)[C@@H]2CCCN2C(=O)OCc3ccccc3,O=C(ON1C(=O)CCC1=O)[C@@H]2CCCN2C(=O)OCc3ccccc3,"InChI=1/C17H18N2O6/c20-14-8-9-15(21)19(14)25-16(22)13-7-4-10-18(13)17(23)24-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2",C17H18N2O6,,,,,,BDNYCEKWUBRCBJ-ZDUSSCGKSA-N,,,,,,,,,,,
100.020.240,222-263-2,3398-16-1,"4-bromo-3,5-dimethyl-1H-pyrazole","4-bromo-3,5-dimethyl-1H-pyrazole",Cc1n[nH]c(C)c1Br,Cc1n[nH]c(C)c1Br,"InChI=1/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)",C5H7BrN2,,,,,,RISOHYOEPYWKOB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.384,223-521-7,3938-96-3,Ethyl methoxyacetate,ethyl methoxyacetate,CCOC(=O)COC,CCOC(=O)COC,"InChI=1/C5H10O3/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3",C5H10O3,,,,,,JLEKJZUYWFJPMB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.385,223-522-2,3/01/3939,Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,Cl.COC(=O)C1CN(Cc2ccccc2)CCC1=O,Cl.COC(=O)C1CN(Cc2ccccc2)CCC1=O,"InChI=1/C14H17NO3.ClH/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;1H",C14H17NO3.ClH,,,,,,BRADBAOVPACOQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.390,223-528-5,3943-82-6,"4-[(2-chlorophenyl)[4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-o-toluidine monohydrochloride","4-{(2-chlorophenyl)[4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-2-methylaniline hydrochloride",Cl.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\\C(=NCC)C(\\C)=C\\3,Cl.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\C(=NCC)C(\C)=C\3,"InChI=1/C25H27ClN2.ClH/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20;/h7-16,27H,5-6H2,1-4H3;1H",C25H27ClN2.ClH,,,,,,MDOWYKFAQVNQJR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.393,223-531-1,3943-97-3,Methyl p-hydroxycinnamate,methyl 3-(4-hydroxyphenyl)acrylate,COC(=O)\\C=C\\c1ccc(O)cc1,COC(=O)\C=C\c1ccc(O)cc1,"InChI=1/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3",C10H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18456,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.393,NITWSHWHQAQBAW-QPJJXVBHSA-N,,,,,,,,,,,
100.018.784,220-662-6,2851-82-3,"o-bis(2,3-epoxypropoxy)benzene","2,2'-[1,2-phenylenebis(oxymethylene)]dioxirane",C(Oc1ccccc1OCC2CO2)C3CO3,C(Oc1ccccc1OCC2CO2)C3CO3,"InChI=1/C12H14O4/c1-2-4-12(16-8-10-6-14-10)11(3-1)15-7-9-5-13-9/h1-4,9-10H,5-8H2",C12H14O4,,,,,,NKANYVMWDXJHLE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.785,220-663-1,2851-94-7,2-phenyl-1-vinyl-1H-imidazole,2-phenyl-1-vinyl-1H-imidazole,C=Cn1ccnc1c2ccccc2,C=Cn1ccnc1c2ccccc2,"InChI=1/C11H10N2/c1-2-13-9-8-12-11(13)10-6-4-3-5-7-10/h2-9H,1H2",C11H10N2,,,,,,HAWZITGJTUAVQW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.786,220-664-7,2851-95-8,2-methyl-1-vinyl-1H-imidazole,2-methyl-1-vinyl-1H-imidazole,Cc1nccn1C=C,Cc1nccn1C=C,"InChI=1/C6H8N2/c1-3-8-5-4-7-6(8)2/h3-5H,1H2,2H3",C6H8N2,,,,,,BDHGFCVQWMDIQX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.790,220-668-9,2855-27-8,"Cyclohexane-1,2,4-triyltris(ethylene)","1,2,4-trivinylcyclohexane",C=CC1CCC(C=C)C(C1)C=C,C=CC1CCC(C=C)C(C1)C=C,"InChI=1/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-6,10-12H,1-3,7-9H2",C12H18,,,,,,KTRQRAQRHBLCSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.794,220-673-6,2858-66-4,(R)-1-(2-piperidyl)acetone,1-piperidin-2-ylacetone,CC(=O)C[C@H]1CCCCN1,CC(=O)C[C@H]1CCCCN1,"InChI=1/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3",C8H15NO,,,,,,JEIZLWNUBXHADF-MRVPVSSYSA-N,,,,,,,,,,,
100.018.796,220-675-7,2859-67-8,3-(3-pyridyl)propan-1-ol,3-pyridin-3-ylpropan-1-ol,OCCCc1cccnc1,OCCCc1cccnc1,"InChI=1/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2",C8H11NO,,,,,,ZUGAIMFLQLPTKB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.799,220-678-3,1/02/2861,"Disodium 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulphonate","disodium 4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc(N)c2c(C(=O)c1c(N)cc(c(O)c1C2=O)S([O-])(=O)=O)c3O,[Na+].[Na+].[O-]S(=O)(=O)c3cc(N)c2c(C(=O)c1c(N)cc(c(O)c1C2=O)S([O-])(=O)=O)c3O,"InChI=1/C14H10N2O10S2.2Na/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C14H10N2O10S2.2Na,,,,,,WSALIDVQXCHFEG-UHFFFAOYSA-L,,,,,,,,,,,
100.022.373,224-609-8,4426-79-3,sec-butyl isothiocyanate,2-isothiocyanatobutane,CCC(C)N=C=S,CCC(C)N=C=S,"InChI=1/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3",C5H9NS,,,,,,TUFJIDJGIQOYFY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.255,218-980-5,2306-88-9,Octyl octanoate,octyl octanoate,CCCCCCCCOC(=O)CCCCCCC,CCCCCCCCOC(=O)CCCCCCC,"InChI=1/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3",C16H32O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11912,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.255,DJNTZVRUYMHBTD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.263,218-988-9,2307-68-8,Pentanochlor,N-(3-chloro-4-methylphenyl)-2-methylpentanamide,CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1,CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1,"InChI=1/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)",C13H18ClNO,,,,,,WGVWLKXZBUVUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.264,218-989-4,2307-69-9,Isopropyl toluene-4-sulphonate,isopropyl 4-methylbenzenesulfonate,CC(C)OS(=O)(=O)c1ccc(C)cc1,CC(C)OS(=O)(=O)c1ccc(C)cc1,"InChI=1/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3",C10H14O3S,,,,,,SDQCGKJCBWXRMK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.272,218-998-3,2310-89-6,Phenyl hydrogen phosphonate,phenyl hydrogen phosphonate,OP(=O)Oc1ccccc1,OP(=O)Oc1ccccc1,"InChI=1/C6H7O3P/c7-10(8)9-6-4-2-1-3-5-6/h1-5,10H,(H,7,8)",C6H7O3P,,,,,,NQRYGPXAYYDKJB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.287,219-015-0,8/02/2315,Oxymetazoline hydrochloride,"6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol hydrochloride",Cl.Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C,Cl.Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C,"InChI=1/C16H24N2O.ClH/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14;/h8,19H,6-7,9H2,1-5H3,(H,17,18);1H",C16H24N2O.ClH,,,,,,BEEDODBODQVSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.296,219-025-5,2316-26-9,"3,4-dimethoxycinnamic acid","3-(3,4-dimethoxyphenyl)acrylic acid",COc1ccc(\\C=C\\C(=O)O)cc1OC,COc1ccc(\C=C\C(=O)O)cc1OC,"InChI=1/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",C11H12O4,,,,,,HJBWJAPEBGSQPR-GQCTYLIASA-N,,,,,,,,,,,
100.022.664,224-929-8,4559-86-8,Tetrabutylurea,"1,1,3,3-tetrabutylurea",CCCCN(CCCC)C(=O)N(CCCC)CCCC,CCCCN(CCCC)C(=O)N(CCCC)CCCC,"InChI=1/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C17H36N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12233,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.664,SNDGLCYYBKJSOT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.665,224-930-3,4559-96-0,4'-bromo-4-chlorobutyrophenone,1-(4-bromophenyl)-4-chlorobutan-1-one,ClCCCC(=O)c1ccc(Br)cc1,ClCCCC(=O)c1ccc(Br)cc1,"InChI=1/C10H10BrClO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7H2",C10H10BrClO,,,,,,WJKPUMBLABGUCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.675,224-941-3,4567-20-8,"1-hydroxy-2,2,5,5-tetramethylpyrrolidinium chloride","1-hydroxy-2,2,5,5-tetramethylpyrrolidinium chloride",[Cl-].CC1(C)CCC(C)(C)[NH+]1O,[Cl-].CC1(C)CCC(C)(C)[NH+]1O,"InChI=1/C8H17NO.ClH/c1-7(2)5-6-8(3,4)9(7)10;/h10H,5-6H2,1-4H3;1H",C8H17NO.ClH,,,,,,OUFRCKSVFXTNOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.677,224-943-4,4567-98-0,Dimethyl undecanedioate,dimethyl undecanedioate,COC(=O)CCCCCCCCCC(=O)OC,COC(=O)CCCCCCCCCC(=O)OC,"InChI=1/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3",C13H24O4,,,,,,LADJFIHHYMBJHB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.681,224-948-1,4568-74-5,"2-bromo-2-chloro-N,N'-dimethylmalonamide","2-bromo-2-chloro-N,N'-dimethylmalonamide",CNC(=O)C(Cl)(Br)C(=O)NC,CNC(=O)C(Cl)(Br)C(=O)NC,"InChI=1/C5H8BrClN2O2/c1-8-3(10)5(6,7)4(11)9-2/h1-2H3,(H,8,10)(H,9,11)",C5H8BrClN2O2,,,,,,LIWSDJKPIBOGBT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.683,224-950-2,4569-00-0,"2-[N-(2,4-dimethylphenyl)carbamoyl]-3-naphthyl acetate","3-[(2,4-dimethylphenyl)carbamoyl]-2-naphthyl acetate",CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(C)cc3C,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(C)cc3C,"InChI=1/C21H19NO3/c1-13-8-9-19(14(2)10-13)22-21(24)18-11-16-6-4-5-7-17(16)12-20(18)25-15(3)23/h4-12H,1-3H3,(H,22,24)",C21H19NO3,,,,,,FMPROMIJBCXFNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.685,224-952-3,4570-41-6,Benzoxazol-2-amine,"1,3-benzoxazol-2-amine",Nc1oc2ccccc2n1,Nc1oc2ccccc2n1,"InChI=1/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)",C7H6N2O,,,,,,JPBLHOJFMBOCAF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.687,224-954-4,6/03/4572,3-(4-methylpiperazin-1-yl)propylamine,3-(4-methylpiperazin-1-yl)propan-1-amine,CN1CCN(CCCN)CC1,CN1CCN(CCCN)CC1,"InChI=1/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3",C8H19N3,,,,,,RGUABPVONIGVAT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.690,224-958-6,3/04/4574,Trimethyl(tetradecyl)ammonium chloride,"N,N,N-trimethyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1",C17H38N.Cl,,,,,,CEYYIKYYFSTQRU-UHFFFAOYSA-M,,,,,,,,,,,
100.022.692,224-960-7,4575-13-7,"2'',3,3',3'''-tetramethyl-1,1':4',1'':4'',1'''-quaterphenyl","2'',3,3',3'''-tetramethyl-1,1':4',1'':4'',1'''-quaterphenyl",Cc1cccc(c1)c2ccc(c(C)c2)c3ccc(cc3C)c4cccc(C)c4,Cc1cccc(c1)c2ccc(c(C)c2)c3ccc(cc3C)c4cccc(C)c4,"InChI=1/C28H26/c1-19-7-5-9-23(15-19)25-11-13-27(21(3)17-25)28-14-12-26(18-22(28)4)24-10-6-8-20(2)16-24/h5-18H,1-4H3",C28H26,,,,,,IVWXXNXSMQULGO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.469,243-432-7,19935-93-4,Diethyl tert-butylphosphonate,diethyl tert-butylphosphonate,CCOP(=O)(OCC)C(C)(C)C,CCOP(=O)(OCC)C(C)(C)C,"InChI=1/C8H19O3P/c1-6-10-12(9,11-7-2)8(3,4)5/h6-7H2,1-5H3",C8H19O3P,,,,,,XZNUCIHUJKMHQG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.472,243-435-3,19941-28-7,"Methyl [1R-(1a,4aß,4ba,7ß,8aß,10aa)]-tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate",methyl abietan-18-oate,COC(=O)C1(C)CCCC2(C)C3CCC(CC3CCC12)C(C)C,COC(=O)C1(C)CCCC2(C)C3CCC(CC3CCC12)C(C)C,"InChI=1/C21H36O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h14-18H,6-13H2,1-5H3",C21H36O2,,,,,,FJHHBOWEISXQJX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.475,243-439-5,19952-47-7,4-chlorobenzothiazol-2-ylamine,"4-chloro-1,3-benzothiazol-2-amine",Nc1nc2c(Cl)cccc2s1,Nc1nc2c(Cl)cccc2s1,"InChI=1/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)",C7H5ClN2S,,,,,,OEQQFQXMCPMEIH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.478,243-442-1,19961-27-4,N-ethylisopropylamine,N-ethylpropan-2-amine,CCNC(C)C,CCNC(C)C,"InChI=1/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3",C5H13N,,,,,,RIVIDPPYRINTTH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.480,243-444-2,19968-85-5,1-aminomethylcyclohexan-1-ol hydrochloride,1-(aminomethyl)cyclohexanol hydrochloride,Cl.NCC1(O)CCCCC1,Cl.NCC1(O)CCCCC1,"InChI=1/C7H15NO.ClH/c8-6-7(9)4-2-1-3-5-7;/h9H,1-6,8H2;1H",C7H15NO.ClH,,,,,,DXIAEURKHWGAFH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.482,243-446-3,19971-12-1,"3,5-dibromo-2,2,6,6-tetramethyl-4-piperidone hydrobromide","3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one hydrobromide",Br.CC1(C)NC(C)(C)C(Br)C(=O)C1Br,Br.CC1(C)NC(C)(C)C(Br)C(=O)C1Br,"InChI=1/C9H15Br2NO.BrH/c1-8(2)6(10)5(13)7(11)9(3,4)12-8;/h6-7,12H,1-4H3;1H",C9H15Br2NO.BrH,,,,,,VMHVSXXACDJVRL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.483,243-447-9,19975-56-5,"4,5-dihydro-2-(methylthio)thiazole","2-(methylsulfanyl)-4,5-dihydro-1,3-thiazole",CSC1=NCCS1,CSC1=NCCS1,"InChI=1/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3",C4H7NS2,,,,,,QFGRBBWYHIYNIB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.485,243-450-5,19980-50-8,2-acetyl-4-tert-butylcyclohexan-1-one,2-acetyl-4-tert-butylcyclohexanone,CC(=O)C1CC(CCC1=O)C(C)(C)C,CC(=O)C1CC(CCC1=O)C(C)(C)C,"InChI=1/C12H20O2/c1-8(13)10-7-9(12(2,3)4)5-6-11(10)14/h9-10H,5-7H2,1-4H3",C12H20O2,,,,,,JKKVIIBTROLMFL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.489,243-454-7,19992-80-4,Butixirate,2-biphenyl-4-ylbutanoic acid - 4-phenylcyclohexanamine (1:1),CCC(C(=O)O)c1ccc(cc1)c2ccccc2.N[C@@H]3CC[C@H](CC3)c4ccccc4,CCC(C(=O)O)c1ccc(cc1)c2ccccc2.N[C@@H]3CC[C@H](CC3)c4ccccc4,"InChI=1/C16H16O2.C12H17N/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-11,15H,2H2,1H3,(H,17,18);1-5,11-12H,6-9,13H2",C16H16O2.C12H17N,,,,,,KWFFVBCJCQQAIV-CLVGDUISSA-N,,,,,,,,,,,
100.039.490,243-455-2,19996-02-2,10-chloroanthracene-9-methanol,(10-chloro-9-anthryl)methanol,OCc1c2ccccc2c(Cl)c3ccccc13,OCc1c2ccccc2c(Cl)c3ccccc13,"InChI=1/C15H11ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8,17H,9H2",C15H11ClO,,,,,,ABDVUIRYSXXVKE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.491,243-456-8,19997-48-9,"2-(bromomethyl)-2,3-dihydro-5-methylbenzofuran","2-(bromomethyl)-5-methyl-2,3-dihydro-1-benzofuran",Cc1ccc2OC(CBr)Cc2c1,Cc1ccc2OC(CBr)Cc2c1,"InChI=1/C10H11BrO/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-4,9H,5-6H2,1H3",C10H11BrO,,,,,,KUDMJKVKBRFFND-UHFFFAOYSA-N,,,,,,,,,,,
100.017.538,219-290-7,2403-66-9,2-(hydroxypropyl)-1H-benzimidazole,3-(1H-benzimidazol-2-yl)propan-1-ol,OCCCc1nc2ccccc2n1,OCCCc1nc2ccccc2n1,"InChI=1/C10H12N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)",C10H12N2O,,,,,,CQFSGSFSOWEIGO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.546,219-299-6,2406-33-9,"1,1-dichlorosilacyclopentane","1,1-dichlorosilolane",Cl[Si]1(Cl)CCCC1,Cl[Si]1(Cl)CCCC1,InChI=1/C4H8Cl2Si/c5-7(6)3-1-2-4-7/h1-4H2,C4H8Cl2Si,,,,,,YMXGMEIYEGUXGT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.555,219-309-9,2408-37-9,"2,2,6-trimethylcyclohexan-1-one","2,2,6-trimethylcyclohexanone",CC1CCCC(C)(C)C1=O,CC1CCCC(C)(C)C1=O,"InChI=1/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3",C9H16O,,,,,,ZPVOLGVTNLDBFI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.562,219-317-2,2411-83-8,"Methyl 2,3-dihydroxybenzoate","methyl 2,3-dihydroxybenzoate",COC(=O)c1cccc(O)c1O,COC(=O)c1cccc(O)c1O,"InChI=1/C8H8O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,9-10H,1H3",C8H8O4,,,,,,DOAJWTSNTNAEIY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.563,219-318-8,2411-89-4,"1,3-dihydro-3-oxoisobenzofuran-1-ylidenebis(6-hydroxy-5-methyl-m-phenylenemethylenenitrilo)tetra-acetic acid","2,2',2'',2'''-{(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetic acid",Cc1cc(cc(CN(CC(=O)O)CC(=O)O)c1O)C2(OC(=O)c3ccccc23)c4cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c4,Cc1cc(cc(CN(CC(=O)O)CC(=O)O)c1O)C2(OC(=O)c3ccccc23)c4cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c4,"InChI=1/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)",C32H32N2O12,,,,,,IYZPEGVSBUNMBE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.565,219-320-9,2412-80-8,Methyl 4-methylvalerate,methyl 4-methylpentanoate,COC(=O)CCC(C)C,COC(=O)CCC(C)C,"InChI=1/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3",C7H14O2,,,,,,KBCOVKHULBZKNY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.358,224-592-7,4421-21-0,Ethyl 2-cyano-3-[4-[(4-ethoxyphenyl)methylamino]phenyl]acrylate,ethyl 2-cyano-3-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}acrylate,CCOC(=O)\\C(=C/c1ccc(cc1)N(C)c2ccc(OCC)cc2)\\C#N,CCOC(=O)\C(=C/c1ccc(cc1)N(C)c2ccc(OCC)cc2)\C#N,"InChI=1/C21H22N2O3/c1-4-25-20-12-10-19(11-13-20)23(3)18-8-6-16(7-9-18)14-17(15-22)21(24)26-5-2/h6-14H,4-5H2,1-3H3",C21H22N2O3,,,,,,PGMSFYPRNSBTIQ-VKAVYKQESA-N,,,,,,,,,,,
100.020.113,222-123-0,3353-69-3,"Ethane-1,2-diylbis[dichloromethylsilane]","ethane-1,2-diylbis[dichloro(methyl)silane]",C[Si](Cl)(Cl)CC[Si](C)(Cl)Cl,C[Si](Cl)(Cl)CC[Si](C)(Cl)Cl,"InChI=1/C4H10Cl4Si2/c1-9(5,6)3-4-10(2,7)8/h3-4H2,1-2H3",C4H10Cl4Si2,,,,,,VFURVLVRHAMJKG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.116,222-126-7,3358-47-2,1-methyl-2-(p-tolyl)piperidine,1-methyl-2-(4-methylphenyl)piperidine,CN1CCCCC1c2ccc(C)cc2,CN1CCCCC1c2ccc(C)cc2,"InChI=1/C13H19N/c1-11-6-8-12(9-7-11)13-5-3-4-10-14(13)2/h6-9,13H,3-5,10H2,1-2H3",C13H19N,,,,,,DIKJIWPPCARJJK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.118,222-128-8,3360-41-6,4-phenylbutan-1-ol,4-phenylbutan-1-ol,OCCCCc1ccccc1,OCCCCc1ccccc1,"InChI=1/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2",C10H14O,,,,,,LDZLXQFDGRCELX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.119,222-129-3,3361-13-5,4-methyl-7-(1-oxopropoxy)-2-benzopyrone,4-methyl-2-oxo-2H-chromen-7-yl propionate,CCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C13H12O4/c1-3-12(14)16-9-4-5-10-8(2)6-13(15)17-11(10)7-9/h4-7H,3H2,1-2H3",C13H12O4,,,,,,IOKUIFTUULBXMB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.122,222-133-5,3366-63-0,"O,O'-(4,4'-diaminobiphenyl-3,3'-ylene)di(glycollic acid)","2,2'-[(4,4'-diaminobiphenyl-3,3'-diyl)bis(oxy)]diacetic acid",Nc1ccc(cc1OCC(=O)O)c2ccc(N)c(OCC(=O)O)c2,Nc1ccc(cc1OCC(=O)O)c2ccc(N)c(OCC(=O)O)c2,"InChI=1/C16H16N2O6/c17-11-3-1-9(5-13(11)23-7-15(19)20)10-2-4-12(18)14(6-10)24-8-16(21)22/h1-6H,7-8,17-18H2,(H,19,20)(H,21,22)",C16H16N2O6,,,,,,UJJIPRCLIYLSHI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.626,224-887-0,4538-51-6,"2,3-epoxypropiononitrile",oxirane-2-carbonitrile,N#CC1CO1,N#CC1CO1,"InChI=1/C3H3NO/c4-1-3-2-5-3/h3H,2H2",C3H3NO,,,,,,RSHIVZARDAPEDE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.630,224-891-2,4540-44-7,1-bromo-3-chloropropan-2-ol,1-bromo-3-chloropropan-2-ol,OC(CCl)CBr,OC(CCl)CBr,"InChI=1/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2",C3H6BrClO,,,,,,TVDCSPSRGSLXOV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.631,224-892-8,4542-32-9,N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide,3-oxo-N-(4-sulfamoylphenyl)butanamide,CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)N,CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)N,"InChI=1/C10H12N2O4S/c1-7(13)6-10(14)12-8-2-4-9(5-3-8)17(11,15)16/h2-5H,6H2,1H3,(H,12,14)(H2,11,15,16)",C10H12N2O4S,,,,,,FDZMNCCKUUOJEX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.643,224-906-2,4547-70-0,Benzene-m-bis(sulphonohydrazide),"benzene-1,3-disulfonohydrazide",NNS(=O)(=O)c1cccc(c1)S(=O)(=O)NN,NNS(=O)(=O)c1cccc(c1)S(=O)(=O)NN,"InChI=1/C6H10N4O4S2/c7-9-15(11,12)5-2-1-3-6(4-5)16(13,14)10-8/h1-4,9-10H,7-8H2",C6H10N4O4S2,,,,,,LDVAXRWOGUHMKM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.652,224-916-7,4551-15-9,Phenylthiotrimethylsilane,trimethyl(phenylsulfanyl)silane,C[Si](C)(C)Sc1ccccc1,C[Si](C)(C)Sc1ccccc1,"InChI=1/C9H14SSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3",C9H14SSi,,,,,,VJMQFIRIMMSSRW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.660,220-526-6,2794-60-7,Barium trifluoromethanesulphonate,barium bis(trifluoromethanesulfonate),[Ba+2].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F,[Ba+2].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F,"InChI=1/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",CHF3O3S.1/2Ba,,,,,,DXJURUJRANOYMX-UHFFFAOYSA-L,,,,,,,,,,,
100.018.675,220-542-3,2802-19-9,"3-ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate","3-ethoxy-20-oxo-6-(trifluoromethyl)pregna-3,5-dien-17-yl acetate",CCOC1=CC2=C(C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(=O)C)C(=O)C)[C@@]2(C)CC1)C(F)(F)F,CCOC1=CC2=C(C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(=O)C)C(=O)C)[C@@]2(C)CC1)C(F)(F)F,"InChI=1/C26H35F3O4/c1-6-32-17-7-10-23(4)19-8-11-24(5)20(9-12-25(24,15(2)30)33-16(3)31)18(19)14-22(21(23)13-17)26(27,28)29/h13,18-20H,6-12,14H2,1-5H3",C26H35F3O4,,,,,,RFRZNGJBWJIQCF-DAHGFBLPSA-N,,,,,,,,,,,
100.018.677,220-544-4,2806-16-8,Potassium henicosafluorodecanesulphonate,"potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonate",[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10HF21O3S.K/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34;/h(H,32,33,34);/q;+1/p-1",C10HF21O3S.K,,,,,,UWUCAMNHDQBYIL-UHFFFAOYSA-M,,,,,,,,,,,
100.018.688,220-557-5,1/09/2812,"2,3-dihydro-5-methoxy-7,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one","5-methoxy-7,8-dimethyl-2-phenyl-2,3-dihydro-4H-chromen-4-one",COc1cc(C)c(C)c2OC(CC(=O)c12)c3ccccc3,COc1cc(C)c(C)c2OC(CC(=O)c12)c3ccccc3,"InChI=1/C18H18O3/c1-11-9-16(20-3)17-14(19)10-15(21-18(17)12(11)2)13-7-5-4-6-8-13/h4-9,15H,10H2,1-3H3",C18H18O4,,,,,,HZLLFRKBXPNHCV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.692,220-561-7,2814-20-2,2-isopropyl-6-methyl-1H-pyrimidin-4-one,2-isopropyl-6-methylpyrimidin-4(1H)-one,CC(C)C1=NC(=O)C=C(C)N1,CC(C)C1=NC(=O)C=C(C)N1,"InChI=1/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)",C8H12N2O,,,,,,AJPIUNPJBFBUKK-UHFFFAOYSA-N,Positive,AU207101|AU207102|AU207103|AU207104;SM881401;EA270601|EA270602|EA270603|EA270604|EA270605|EA270606|EA270607|EA270608|EA270609|EA270610|EA270611|EA270612|EA270613|EA270614;UF419501|UF419502|UF419503|UF419504,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,153.1019:154.1044:155.1068|153.1019:154.1044:137.0701|137.07:153.1019:138.0766|137.0698:138.0744:153.1002;153.1022:84.0444:70.0652;153.1023:84.0444:70.0652|153.1022:84.0446:138.0789|153.1022:84.0446:137.0715|153.1022:84.0444:70.0652|153.1022:84.0444:70.0651|84.0444:153.102:70.0651|84.0444:70.0651:153.102|153.1022:84.044:137.0704|153.1022:84.0444:137.0708|153.1022:84.0444:70.0651|153.1022:84.0444:70.0651|84.0444:153.1022:70.0651|84.0444:70.0651:153.1021|153.1022:84.0444:70.0651;153.1026:84.0446:70.0653|84.0445:153.1026:70.0652|153.1026:84.0446:70.0653|84.0445:153.1027:70.0653,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.018.800,220-679-9,2861-28-1,"Benzo-1,3-dioxole-5-acetic acid","1,3-benzodioxol-5-ylacetic acid",OC(=O)Cc1ccc2OCOc2c1,OC(=O)Cc1ccc2OCOc2c1,"InChI=1/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)",C9H8O4,,,,,,ODVLMCWNGKLROU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.803,220-683-0,2863-94-7,Ethyl 3-[4-[[(4-ethoxyphenyl)methylene]amino]phenyl]acrylate,ethyl 3-{4-[(4-ethoxybenzylidene)amino]phenyl}acrylate,CCOc1ccc(cc1)C=Nc2ccc(/C=C/C(=O)OCC)cc2,CCOc1ccc(cc1)C=Nc2ccc(/C=C/C(=O)OCC)cc2,"InChI=1/C20H21NO3/c1-3-23-19-12-7-17(8-13-19)15-21-18-10-5-16(6-11-18)9-14-20(22)24-4-2/h5-15H,3-4H2,1-2H3",C20H21NO3,,,,,,CVVDLYBLLWQIDB-BAAZBEGMSA-N,,,,,,,,,,,
100.018.806,220-686-7,2/05/2867,5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene,5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene,CC(C)C12CC=C(C)C1C2,CC(C)C12CC=C(C)C1C2,"InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3",C10H16,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18599,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.806,KQAZVFVOEIRWHN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.808,220-688-8,2867-47-2,2-dimethylaminoethyl methacrylate,2-(dimethylamino)ethyl methacrylate,CN(C)CCOC(=O)C(=C)C,CN(C)CCOC(=O)C(=C)C,"InChI=1/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3",C8H15NO2,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14994,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.808,JKNCOURZONDCGV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.813,220-694-0,2869-34-3,Tridecylamine,tridecan-1-amine,CCCCCCCCCCCCCN,CCCCCCCCCCCCCN,"InChI=1/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3",C13H29N,,,,,,ABVVEAHYODGCLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.816,220-697-7,2870-30-6,Sodium diethyl phosphate,sodium diethyl phosphate,[Na+].CCOP(=O)([O-])OCC,[Na+].CCOP(=O)([O-])OCC,"InChI=1/C4H11O4P.Na/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);/q;+1/p-1",C4H11O4P.Na,,,,,,GUCVHDYRKMSBOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.016.871,218-558-0,2182-14-1,"Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2ß,3ß,4ß,5a,12ß,19a)-","methyl 4-acetoxy-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate",CC[C@@]12C=CCN3CC[C@]4([C@H]13)[C@@H](N(C)c5cc(OC)ccc45)[C@](O)([C@@H]2OC(=O)C)C(=O)OC,CC[C@@]12C=CCN3CC[C@]4([C@H]13)[C@@H](N(C)c5cc(OC)ccc45)[C@](O)([C@@H]2OC(=O)C)C(=O)OC,"InChI=1/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3",C25H32N2O6,,,,,,CXBGOBGJHGGWIE-IYJDUVQVSA-N,,,,,,,,,,,
100.016.873,218-560-1,2182-52-7,Benzylammonium acetate,phenylmethanaminium acetate,CC(=O)[O-].[NH3+]Cc1ccccc1,CC(=O)[O-].[NH3+]Cc1ccccc1,"InChI=1/C7H9N.C2H4O2/c8-6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6,8H2;1H3,(H,3,4)",C7H9N.C2H4O2,,,,,,MPPQYFREIJCHTB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.378,220-216-0,2672-77-7,"N-(2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide","N-(2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide",COc1ccc(NC(=O)c2cc3ccccc3cc2O)c(OC)c1,COc1ccc(NC(=O)c2cc3ccccc3cc2O)c(OC)c1,"InChI=1/C19H17NO4/c1-23-14-7-8-16(18(11-14)24-2)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)",C19H17NO4,,,,,,BAROIKGEGXXQJO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.379,220-217-6,2672-81-3,3-hydroxy-N-(2-methoxydibenzofuran-3-yl)-2-naphthamide,"3-hydroxy-N-(2-methoxydibenzo[b,d]furan-3-yl)-2-naphthamide",COc1cc2c(oc3ccccc23)cc1NC(=O)c4cc5ccccc5cc4O,COc1cc2c(oc3ccccc23)cc1NC(=O)c4cc5ccccc5cc4O,"InChI=1/C24H17NO4/c1-28-23-12-17-16-8-4-5-9-21(16)29-22(17)13-19(23)25-24(27)18-10-14-6-2-3-7-15(14)11-20(18)26/h2-13,26H,1H3,(H,25,27)",C24H17NO4,,,,,,CZPWGRUUELIMPA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.380,220-218-1,2672-85-7,4-ethyl-4-methyl-5-thioxoimidazolidin-2-one,4-ethyl-4-methyl-5-thioxoimidazolidin-2-one,CCC1(C)NC(=O)NC1=S,CCC1(C)NC(=O)NC1=S,"InChI=1/C6H10N2OS/c1-3-6(2)4(10)7-5(9)8-6/h3H2,1-2H3,(H2,7,8,9,10)",C6H10N2OS,,,,,,HMYWZHOIHLAJTH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.385,220-223-9,2675-79-8,"5-bromo-1,2,3-trimethoxybenzene","5-bromo-1,2,3-trimethoxybenzene",COc1cc(Br)cc(OC)c1OC,COc1cc(Br)cc(OC)c1OC,"InChI=1/C9H11BrO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3",C9H11BrO3,,,,,,XAOOZMATJDXDQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.388,220-227-0,2677-29-4,"5-chloro-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene","5-chloro-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",ClC1CC2CC1C3C=CCC23,ClC1CC2CC1C3C=CCC23,"InChI=1/C10H13Cl/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2",C10H13Cl,,,,,,BVIVIHDQFQUFSV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.389,220-228-6,2678-21-9,"1,2,4-trichloro-3,5-dinitrobenzene","1,2,4-trichloro-3,5-dinitrobenzene",[O-][N+](=O)c1cc(Cl)c(Cl)c(c1Cl)[N+](=O)[O-],[O-][N+](=O)c1cc(Cl)c(Cl)c(c1Cl)[N+](=O)[O-],InChI=1/C6HCl3N2O4/c7-2-1-3(10(12)13)5(9)6(4(2)8)11(14)15/h1H,C6HCl3N2O4,,,,,,OFMRACCIIIDSDN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.393,220-232-8,2679-26-7,"1-((3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolinium iodide","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methylisoquinolinium iodide",[I-].COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC,[I-].COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC,"InChI=1/C21H24NO4.HI/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3;/h6-9,11-13H,10H2,1-5H3;1H/q+1;/p-1",C21H24NO4.I,,,,,,NEDMOWXPUGKQAV-UHFFFAOYSA-M,,,,,,,,,,,
100.022.693,224-961-2,4578-31-8,Disodium adenosine 5'-phosphate hydrate,disodium 5'-O-phosphonatoadenosine hydrate,O.[Na+].[Na+].Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O,O.[Na+].[Na+].Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O,"InChI=1/C10H14N5O7P.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1;/p-2",C10H14N5O7P.2Na,,,,,,HDDUZEKWRALMDG-MSQVLRTGSA-L,,,,,,,,,,,
100.022.698,224-967-5,4582-21-2,"(2-endo,3-exo)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl dichloride","bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl dichloride",ClC(=O)[C@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(=O)Cl,ClC(=O)[C@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(=O)Cl,"InChI=1/C9H8Cl2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-7H,3H2",C9H8Cl2O2,,,,,,KANQIAARVSWKKG-VZFHVOOUSA-N,,,,,,,,,,,
100.022.702,224-971-7,4584-49-0,2-chloropropyldimethylammonium chloride,"2-chloro-N,N-dimethylpropan-1-aminium chloride",[Cl-].CC(Cl)C[NH+](C)C,[Cl-].CC(Cl)C[NH+](C)C,"InChI=1/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H",C5H12ClN.ClH,,,,,,OCWGRWAYARCRTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.705,224-974-3,4588-86-7,Calcium dinaphthyl di(hydrogen phosphate),calcium bis(1-naphthyl hydrogen phosphate),OP(=O)(O[Ca]OP(=O)(O)Oc1cccc2ccccc12)Oc3cccc4ccccc34,OP(=O)(O[Ca]OP(=O)(O)Oc1cccc2ccccc12)Oc3cccc4ccccc34,"InChI=1/2C10H9O4P.Ca/c2*11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h2*1-7H,(H2,11,12,13);/q;;+2/p-2/rC20H16CaO8P2/c22-30(23,26-19-13-5-9-15-7-1-3-11-17(15)19)28-21-29-31(24,25)27-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H,22,23)(H,24,25)",C10H9O4P.1/2Ca,,,,,,WGGGAHWRVWXHBG-UHFFFAOYSA-L,,,,,,,,,,,
100.022.709,224-979-0,4590-70-9,2'-hydroxychalcone hydrazone,1-(2-aminophenyl)-3-phenylprop-2-en-1-one oxime,Nc1ccccc1C(=NO)C=Cc2ccccc2,Nc1ccccc1C(=NO)C=Cc2ccccc2,"InChI=1/C15H14N2O/c16-14-9-5-4-8-13(14)15(17-18)11-10-12-6-2-1-3-7-12/h1-11,18H,16H2",C15H14N2O,,,,,,NWMXLIYSCIGBRU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.707,220-577-4,2818-88-4,2-methylbenzoselenazole,"2-methyl-1,3-benzoselenazole",CC1=Nc2ccccc2[Se]1,CC1=Nc2ccccc2[Se]1,"InChI=1/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3",C8H7NSe,,,,,,VYFYELQQECQPHU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.710,220-581-6,2823-42-9,"6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","6,9-difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H30F2O6/c1-12-7-15-16-9-18(25)17-8-14(28)5-6-21(17,3)23(16,26)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3",C24H30F2O6,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16683,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.710,ISSQQUKLQJHHOR-OSNGSNEUSA-N,,,,,,,,,,,
100.018.718,220-590-5,2827-49-8,"2,4,6-tris(diethylamino)-1,3,5-triazine","N,N,N',N',N'',N''-hexaethyl-1,3,5-triazine-2,4,6-triamine",CCN(CC)c1nc(nc(n1)N(CC)CC)N(CC)CC,CCN(CC)c1nc(nc(n1)N(CC)CC)N(CC)CC,"InChI=1/C15H30N6/c1-7-19(8-2)13-16-14(20(9-3)10-4)18-15(17-13)21(11-5)12-6/h7-12H2,1-6H3",C15H30N6,,,,,,RLMGHKMNVDBCSB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.723,220-595-2,2829-92-7,2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenol hydrochloride,2-[2-hydroxy-3-(isopropylamino)propoxy]phenol hydrochloride,Cl.CC(C)NCC(O)COc1ccccc1O,Cl.CC(C)NCC(O)COc1ccccc1O,"InChI=1/C12H19NO3.ClH/c1-9(2)13-7-10(14)8-16-12-6-4-3-5-11(12)15;/h3-6,9-10,13-15H,7-8H2,1-2H3;1H",C12H19NO3.ClH,,,,,,BWPFJUMQTZKGAW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.729,220-601-3,2832-45-3,"Sodium hexane-1-sulphonate, monohydrate",sodium hexane-1-sulfonate,CCCCCCS(=O)(=O)O[Na],CCCCCCS(=O)(=O)O[Na],"InChI=1/C6H14O3S.Na/c1-2-3-4-5-6-10(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1/rC6H13NaO3S/c1-2-3-4-5-6-11(8,9)10-7/h2-6H2,1H3",C6H14O3S.Na,,,,,,QWSZRRAAFHGKCH-UHFFFAOYSA-M,,,,,,,,,,,
100.018.731,220-603-4,2834-23-3,Chlorodifluoroacetic anhydride,chloro(difluoro)acetic anhydride,FC(F)(Cl)C(=O)OC(=O)C(F)(F)Cl,FC(F)(Cl)C(=O)OC(=O)C(F)(F)Cl,"InChI=1/C4Cl2F4O3/c5-3(7,8)1(11)13-2(12)4(6,9)10",C4Cl2F4O3,,,,,,VBJIFLOSOQGDRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.738,220-611-8,2835-61-2,"4-amino-1,1'-azonaphthalene",4-(1-naphthyldiazenyl)naphthalen-1-amine,Nc1ccc(N=Nc2cccc3ccccc23)c4ccccc14,Nc1ccc(N=Nc2cccc3ccccc23)c4ccccc14,"InChI=1/C20H15N3/c21-18-12-13-20(17-10-4-3-9-16(17)18)23-22-19-11-5-7-14-6-1-2-8-15(14)19/h1-13H,21H2",C20H15N3,,,,,,SILZUVHOJDAKAS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.740,220-613-9,2835-77-0,2-aminobenzophenone,(2-aminophenyl)(phenyl)methanone,Nc1ccccc1C(=O)c2ccccc2,Nc1ccccc1C(=O)c2ccccc2,"InChI=1/C13H11NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,14H2",C13H11NO,,,,,,MAOBFOXLCJIFLV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.741,220-614-4,2835-78-1,3-aminobenzophenone,(3-aminophenyl)(phenyl)methanone,Nc1cccc(c1)C(=O)c2ccccc2,Nc1cccc(c1)C(=O)c2ccccc2,"InChI=1/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2",C13H11NO,,,,,,FUADXEJBHCKVBN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.747,220-621-2,2835-99-6,4-amino-m-cresol,4-amino-3-methylphenol,Cc1cc(O)ccc1N,Cc1cc(O)ccc1N,"InChI=1/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3",C7H9NO,,,,,,QGNGOGOOPUYKMC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.569,219-325-6,2415-43-2,Uridylyl-(3'<U+2192>5')-uridine,-,OCC1OC(C(O)C1OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O,OCC1OC(C(O)C1OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O,"InChI=1/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)",C18H23N4O14P,,,,,,KXSPLNAXPMVUEC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.570,219-326-1,2415-80-7,"2,2-dichlorocyclopropylbenzene","(2,2-dichlorocyclopropyl)benzene",ClC1(Cl)CC1c2ccccc2,ClC1(Cl)CC1c2ccccc2,"InChI=1/C9H8Cl2/c10-9(11)6-8(9)7-4-2-1-3-5-7/h1-5,8H,6H2",C9H8Cl2,,,,,,WLWFQGXZIDYWQF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.571,219-327-7,2415-85-2,4'-methylacetoacetanilide,N-(4-methylphenyl)-3-oxobutanamide,Cc1ccc(NC(=O)CC(C)=O)cc1,Cc1ccc(NC(=O)CC(C)=O)cc1,"InChI=1/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)",C11H13NO2,,,,,,MJGLMEMIYDUEHA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.573,219-329-8,2416-40-2,"4,4'-oxydibenzyl di(acetate)","oxybis(4,1-phenylenemethylene) diacetate",CC(=O)OCc1ccc(Oc2ccc(COC(=O)C)cc2)cc1,CC(=O)OCc1ccc(Oc2ccc(COC(=O)C)cc2)cc1,"InChI=1/C18H18O5/c1-13(19)21-11-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)12-22-14(2)20/h3-10H,11-12H2,1-2H3",C18H18O5,,,,,,WTAFGFANKRIOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.579,219-336-6,2418-90-8,"4-benzyl hydrogen N-[(2-nitrophenyl)thio]-L-aspartate, compound with dicyclohexylamine (1:1)",4-(benzyloxy)-2-{[(2-nitrophenyl)sulfanyl]amino}-4-oxobutanoic acid - N-cyclohexylcyclohexanamine (1:1) (non-preferred name),OC(=O)[C@H](CC(=O)OCc1ccccc1)NSc2ccccc2[N+](=O)[O-].C3CCC(CC3)NC4CCCCC4,OC(=O)[C@H](CC(=O)OCc1ccccc1)NSc2ccccc2[N+](=O)[O-].C3CCC(CC3)NC4CCCCC4,"InChI=1/C17H16N2O6S.C12H23N/c20-16(25-11-12-6-2-1-3-7-12)10-13(17(21)22)18-26-15-9-5-4-8-14(15)19(23)24;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,13,18H,10-11H2,(H,21,22);11-13H,1-10H2",C17H16N2O6S.C12H23N,,,,,,AANMHCRRPDNWHF-ZOWNYOTGSA-N,,,,,,,,,,,
100.017.580,219-337-1,2419-38-7,"(S)-1,3-dihydro-a-(2-methylpropyl)-1,3-dioxo-2H-isoindole-2-acetic acid","2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid",CC(C)C[C@H](N1C(=O)c2ccccc2C1=O)C(=O)O,CC(C)C[C@H](N1C(=O)c2ccccc2C1=O)C(=O)O,"InChI=1/C14H15NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19)",C14H15NO4,,,,,,RMOSZIHTPMEZAP-NSHDSACASA-N,,,,,,,,,,,
100.017.581,219-338-7,2419-73-0,"1,4-dichlorobutane-2,3-diol","1,4-dichlorobutane-2,3-diol",OC(CCl)C(O)CCl,OC(CCl)C(O)CCl,"InChI=1/C4H8Cl2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2",C4H8Cl2O2,,,,,,SAUBRJOIKMVSRU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.965,223-061-7,3714-62-3,"1,2,3,5-tetrachloro-4-nitrobenzene","1,2,3,5-tetrachloro-4-nitrobenzene",[O-][N+](=O)c1c(Cl)cc(Cl)c(Cl)c1Cl,[O-][N+](=O)c1c(Cl)cc(Cl)c(Cl)c1Cl,InChI=1/C6HCl4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H,C6HCl4NO2,,,,,,LOCIEHQKRSFTPA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.966,223-062-2,3715-29-5,Sodium 3-methyl-2-oxobutanoate,sodium 3-methyl-2-oxobutanoate,[Na+].CC(C)C(=O)C(=O)[O-],[Na+].CC(C)C(=O)C(=O)[O-],"InChI=1/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1",C5H8O3.Na,,,,,,WIQBZDCJCRFGKA-UHFFFAOYSA-M,,,,,,,,,,,
100.020.969,223-065-9,3717-28-0,o-chlorobenzaldehyde oxime,2-chlorobenzaldehyde oxime,O\\N=C\\c1ccccc1Cl,O\N=C\c1ccccc1Cl,"InChI=1/C7H6ClNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H",C7H6ClNO,,,,,,FZIVKDWRLLMSEJ-WEVVVXLNSA-N,,,,,,,,,,,
100.020.970,223-066-4,3717-88-2,Flavoxate hydrochloride,2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride,Cl.CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,Cl.CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,"InChI=1/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H",C24H25NO4.ClH,,,,,,XOEVKNFZUQEERE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.977,223-074-8,3724-52-5,"Cyclopentane-1,2,3,4-tetracarboxylic acid","cyclopentane-1,2,3,4-tetracarboxylic acid",OC(=O)C1CC(C(C1C(=O)O)C(=O)O)C(=O)O,OC(=O)C1CC(C(C1C(=O)O)C(=O)O)C(=O)O,"InChI=1/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)",C9H10O8,,,,,,WOSVXXBNNCUXMT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.979,223-076-9,3724-55-8,Methyl 3-butenoate,methyl but-3-enoate,COC(=O)CC=C,COC(=O)CC=C,"InChI=1/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3",C5H8O2,,,,,,GITITJADGZYSRL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.994,223-093-1,3731-59-7,Moroxydine,N-carbamimidoylmorpholine-4-carboximidamide hydrochloride,Cl.NC(=N)NC(=N)N1CCOCC1,Cl.NC(=N)NC(=N)N1CCOCC1,"InChI=1/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H",C6H13N5O,,,,,,FXYZDFSNBBOHTA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.625,223-786-9,4073-98-7,"4,4'-methylenebis(2,6-xylidine)","4,4'-methylenebis(2,6-dimethylaniline)",Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N,Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N,"InChI=1/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3",C17H22N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10439,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.625,OMHOXRVODFQGCA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.693,220-562-2,2814-77-9,1-[(2-chloro-4-nitrophenyl)azo]-2-naphthol,1-[(2-chloro-4-nitrophenyl)diazenyl]-2-naphthol,Clc3cc(ccc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O,Clc3cc(ccc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O,"InChI=1/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H",C16H10ClN3O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13624,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.693,XLTMWFMRJZDFFD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.700,220-570-6,2816-57-1,"2,6-dimethylcyclohexan-1-one","2,6-dimethylcyclohexanone",CC1CCCC(C)C1=O,CC1CCCC(C)C1=O,"InChI=1/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3",C8H14O,,,,,,AILVYPLQKCQNJC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.743,218-416-8,2148-56-3,2-amino-6-chlorobenzoic acid,2-amino-6-chlorobenzoic acid,Nc1cccc(Cl)c1C(=O)O,Nc1cccc(Cl)c1C(=O)O,"InChI=1/C7H6ClNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)",C7H6ClNO2,,,,,,SZCPTRGBOVXVCA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.256,220-080-2,2623-83-8,2-bromononan-1-oic acid,2-bromononanoic acid,CCCCCCCC(Br)C(=O)O,CCCCCCCC(Br)C(=O)O,"InChI=1/C9H17BrO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)",C9H17BrO2,,,,,,MELJYLJLJXTLGX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.259,220-083-9,2623-87-2,4-bromobutyric acid,4-bromobutanoic acid,OC(=O)CCCBr,OC(=O)CCCBr,"InChI=1/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)",C4H7BrO2,,,,,,GRHQDJDRGZFIPO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.262,220-087-0,3/01/2624,2-bromoheptanoic acid,2-bromoheptanoic acid,CCCCCC(Br)C(=O)O,CCCCCC(Br)C(=O)O,"InChI=1/C7H13BrO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)",C7H13BrO2,,,,,,NQRFAUVGDLHPGH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.267,220-092-8,2626-81-5,o-tert-butylphenyl methylcarbamate,2-tert-butylphenyl methylcarbamate,CNC(=O)Oc1ccccc1C(C)(C)C,CNC(=O)Oc1ccccc1C(C)(C)C,"InChI=1/C12H17NO2/c1-12(2,3)9-7-5-6-8-10(9)15-11(14)13-4/h5-8H,1-4H3,(H,13,14)",C12H17NO2,,,,,,MCJHCFNLHXLNJW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.270,220-095-4,2627-35-2,Dodecyl dihydrogen phosphate,dodecyl dihydrogen phosphate,CCCCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCCCOP(=O)(O)O,"InChI=1/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)",C12H27O4P,,,,,,TVACALAUIQMRDF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.274,220-101-5,2627-97-6,"1,3-dimethyl-1,3-diphenyl-1,3-divinyldisiloxane","1,3-dimethyl-1,3-diphenyl-1,3-divinyldisiloxane",C[Si](O[Si](C)(C=C)c1ccccc1)(C=C)c2ccccc2,C[Si](O[Si](C)(C=C)c1ccccc1)(C=C)c2ccccc2,"InChI=1/C18H22OSi2/c1-5-20(3,17-13-9-7-10-14-17)19-21(4,6-2)18-15-11-8-12-16-18/h5-16H,1-2H2,3-4H3",C18H22OSi2,,,,,,KPWVUBSQUODFPP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.277,220-104-1,2629-54-1,DL-3-(3-fluorophenyl)alanine,3-fluoro-L-phenylalanine,Fc1cc(C[C@H](N)C(O)=O)ccc1,Fc1cc(C[C@H](N)C(O)=O)ccc1,"InChI=1/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10FNO2,,,,,,VWHRYODZTDMVSS-QMMMGPOBSA-N,,,,,,,,,,,
100.018.283,220-110-4,2630-16-2,"Nonyl (2,4,5-trichlorophenoxy)acetate","nonyl (2,4,5-trichlorophenoxy)acetate",CCCCCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCCCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C17H23Cl3O3/c1-2-3-4-5-6-7-8-9-22-17(21)12-23-16-11-14(19)13(18)10-15(16)20/h10-11H,2-9,12H2,1H3",C17H23Cl3O3,,,,,,UTOAPAMXUSPJLF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.286,220-114-6,2631-40-5,Isoprocarb,2-isopropylphenyl methylcarbamate,CNC(=O)Oc1ccccc1C(C)C,CNC(=O)Oc1ccccc1C(C)C,"InChI=1/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)",C11H15NO2,,,,,,QBSJMKIUCUGGNG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.289,220-117-2,2631-77-8,"3,5-diiodosalicylaldehyde","2-hydroxy-3,5-diiodobenzaldehyde",Oc1c(I)cc(I)cc1C=O,Oc1c(I)cc(I)cc1C=O,"InChI=1/C7H4I2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H",C7H4I2O2,,,,,,MYWSBJKVOUZCIA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.291,220-119-3,2633-95-6,3-allyl-6-methylhept-5-en-2-one,3-allyl-6-methylhept-5-en-2-one,CC(=CCC(CC=C)C(=O)C)C,CC(=CCC(CC=C)C(=O)C)C,"InChI=1/C11H18O/c1-5-6-11(10(4)12)8-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C11H18O,,,,,,KRYSMAVDGZCJFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.372,224-608-2,4426-51-1,"4-methyl-1,3,2-dioxathiane 2-oxide","4-methyl-1,3,2-dioxathiane 2-oxide",CC1CCOS(=O)O1,CC1CCOS(=O)O1,"InChI=1/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3",C4H8O3S,,,,,,WGMZCGUVEQNCCE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.253,218-977-9,2305-79-5,"4,5,6,7-tetrahydro-1H-indazole","4,5,6,7-tetrahydro-1H-indazole",C1CCc2[nH]ncc2C1,C1CCc2[nH]ncc2C1,"InChI=1/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)",C7H10N2,,,,,,GDSQTWDUCDSZEY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.254,218-978-4,2306-78-7,"3,7,11-trimethyldodeca-1,6,10-trien-3-yl acetate","1,5,9-trimethyl-1-vinyldeca-4,8-dien-1-yl acetate",O=C(C)OC(C)(CCC=C(C)CC\\C=C(/C)C)C=C,O=C(C)OC(C)(CCC=C(C)CC\C=C(/C)C)C=C,"InChI=1/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3",C17H28O2,,,,,,PRNJXUQTUSFYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.257,218-982-6,2306-91-4,Isopentyl decanoate,3-methylbutyl decanoate,CCCCCCCCCC(=O)OCCC(C)C,CCCCCCCCCC(=O)OCCC(C)C,"InChI=1/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3",C15H30O2,,,,,,XDOGFYDZGUDBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.394,220-233-3,2679-36-9,3-(tert-butylamino)propiophenone hydrochloride,3-(tert-butylamino)-1-phenylpropan-1-one hydrochloride,Cl.CC(C)(C)NCCC(=O)c1ccccc1,Cl.CC(C)(C)NCCC(=O)c1ccccc1,"InChI=1/C13H19NO.ClH/c1-13(2,3)14-10-9-12(15)11-7-5-4-6-8-11;/h4-8,14H,9-10H2,1-3H3;1H",C13H19NO.ClH,,,,,,KAMQGNHGFQCMOA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.395,220-234-9,2679-87-0,2-ethoxybutane,sec-butyl ethyl ether,CCOC(C)CC,CCOC(C)CC,"InChI=1/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3",C6H14O,,,,,,VSCUCHUDCLERMY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.396,220-235-4,2679-89-2,"2,2'-oxybis[[2H5]ethane]","1,1'-oxydiethane",CCOCC,CCOCC,"InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",C4D10O,,,,,,RTZKZFJDLAIYFH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.398,220-238-0,2681-16-5,"Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, monosodium salt, (11ß)-",-,[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,"InChI=1/C21H29O8P.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);/q;+1",C21H29O8P.Na,,,,,,WDKXLAIROMOVNT-WDCKKOMHSA-N,,,,,,,,,,,
100.018.399,220-239-6,2682-20-4,2-methyl-2H-isothiazol-3-one,2-methylisothiazol-3(2H)-one,CN1SC=CC1=O,CN1SC=CC1=O,"InChI=1/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3",C4H5NOS,,,,,,BEGLCMHJXHIJLR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.404,220-244-3,2683-90-1,"4,5-dihydro-1H-triazolo(4,5-d)pyrimidin-4-ol","1,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyrimidin-4-ol",ON1CN=Cc2[nH]nnc12,ON1CN=Cc2[nH]nnc12,"InChI=1/C4H5N5O/c10-9-2-5-1-3-4(9)7-8-6-3/h1,10H,2H2,(H,6,7,8)",C4H3N5O,,,,,,CKNDSAMZNSQIHY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.405,220-245-9,2686-99-9,"3,4,5-trimethylphenyl methylcarbamate","3,4,5-trimethylphenyl methylcarbamate",CNC(=O)Oc1cc(C)c(C)c(C)c1,CNC(=O)Oc1cc(C)c(C)c(C)c1,"InChI=1/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)",C11H15NO2,,,,,,AUQAUAIUNJIIEP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.407,220-248-5,2687-25-4,"Toluene-2,3-diamine","3-methylbenzene-1,2-diamine",Cc1cccc(N)c1N,Cc1cccc(N)c1N,"InChI=1/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3",C7H10N2,,,,,,AXNUJYHFQHQZBE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.409,220-250-6,2687-91-4,1-ethylpyrrolidin-2-one,1-ethylpyrrolidin-2-one,CCN1CCCC1=O,CCN1CCCC1=O,"InChI=1/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3",C6H11NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13618,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.409,ZFPGARUNNKGOBB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.412,220-253-2,2688-77-9,Laudanosine,"1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline",COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC,COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3",C21H27NO4,,,,,,KGPAYJZAMGEDIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.417,220-259-5,6/08/2690,Dioctyl sulphide,"1,1'-sulfanediyldioctane",CCCCCCCCSCCCCCCCC,CCCCCCCCSCCCCCCCC,"InChI=1/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34S,,,,,,LOXRGHGHQYWXJK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.613,223-773-8,8/02/4066,"2,2'-methylenebis[6-cyclohexyl-p-cresol]","2,2'-methylenebis(6-cyclohexyl-4-methylphenol)",Cc1cc(Cc2cc(C)cc(C3CCCCC3)c2O)c(O)c(c1)C4CCCCC4,Cc1cc(Cc2cc(C)cc(C3CCCCC3)c2O)c(O)c(c1)C4CCCCC4,"InChI=1/C27H36O2/c1-18-13-22(26(28)24(15-18)20-9-5-3-6-10-20)17-23-14-19(2)16-25(27(23)29)21-11-7-4-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3",C27H36O2,,,,,,AKNMPWVTPUHKCG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.615,223-775-9,4067-16-7,"3,6,9,12-tetraazatetradecamethylenediamine","3,6,9,12-tetraazatetradecane-1,14-diamine",NCCNCCNCCNCCNCCN,NCCNCCNCCNCCNCCN,"InChI=1/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2",C10H28N6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15987,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.615,LSHROXHEILXKHM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.618,223-779-0,4070-43-3,4-ethyl hydrogen L-aspartate,2-amino-4-ethoxy-4-oxobutanoic acid (non-preferred name),CCOC(=O)C[C@H](N)C(=O)O,CCOC(=O)C[C@H](N)C(=O)O,"InChI=1/C6H11NO4/c1-2-11-5(8)3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)",C6H11NO4,,,,,,KALSWOYBXAHEKF-BYPYZUCNSA-N,,,,,,,,,,,
100.021.619,223-780-6,4070-75-1,"1,4-diphenylbut-2-ene-1,4-dione","1,4-diphenylbut-2-ene-1,4-dione",O=C(C=CC(=O)c1ccccc1)c2ccccc2,O=C(C=CC(=O)c1ccccc1)c2ccccc2,InChI=1/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H,C16H12O2,,,,,,WYCXGQSQHAXLPK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.620,223-781-1,4070-80-8,Sodium octadecyl fumarate,sodium 4-(octadecyloxy)-4-oxobut-2-enoate,[Na+].CCCCCCCCCCCCCCCCCCOC(=O)\\C=C\\C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C(=O)[O-],"InChI=1/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h18-19H,2-17,20H2,1H3,(H,23,24);/q;+1/p-1",C22H40O4.Na,,,,,,STFSJTPVIIDAQX-LTRPLHCISA-M,,,,,,,,,,,
100.017.377,219-113-3,2363-71-5,Henicosanoic acid,henicosanoic acid,CCCCCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)",C21H42O2,,,,,,CKDDRHZIAZRDBW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.748,220-622-8,2836-00-2,3-amino-p-cresol,3-amino-4-methylphenol,Cc1ccc(O)cc1N,Cc1ccc(O)cc1N,"InChI=1/C7H9NO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,8H2,1H3",C7H9NO,,,,,,NUNAWQZKZVVELQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.749,220-623-3,6/04/2836,"N,N-dimethylbenzene-1,3-diamine","N,N-dimethylbenzene-1,3-diamine",CN(C)c1cccc(N)c1,CN(C)c1cccc(N)c1,"InChI=1/C8H12N2/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,9H2,1-2H3",C8H12N2,,,,,,HHSBHVJQXZLIRW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.253,222-277-9,3403-42-7,10-[3-(dimethylammonio)propyl]-2-methoxy-10H-phenothiazinium maleate,10-[3-(dimethylammonio)propyl]-2-methoxy-10H-phenothiazin-10-ium but-2-enedioate,COc1ccc2Sc3ccccc3[NH+](CCC[NH+](C)C)c2c1.[O-]C(=O)\\C=C/C(=O)[O-],COc1ccc2Sc3ccccc3[NH+](CCC[NH+](C)C)c2c1.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C18H22N2OS.C4H4O4/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C18H22N2OS.C4H4O4,,,,,,ZWLMLVIUWRUDBD-BTJKTKAUSA-N,,,,,,,,,,,
100.018.302,220-131-9,2637-34-5,Pyridine-2-thiol,pyridine-2-thiol,Sc1ccccn1,Sc1ccccn1,"InChI=1/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",C5H5NS,,,,,,WHMDPDGBKYUEMW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.303,220-132-4,2637-37-8,Quinoline-2-thiol,quinoline-2-thiol,Sc1ccc2ccccc2n1,Sc1ccc2ccccc2n1,"InChI=1/C9H7NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)",C9H7NS,,,,,,KXZSVYHFYHTNBI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.319,220-150-2,4/07/2643,p-[(2-chloroethyl)ethylamino]benzaldehyde,4-[(2-chloroethyl)(ethyl)amino]benzaldehyde,CCN(CCCl)c1ccc(C=O)cc1,CCN(CCCl)c1ccc(C=O)cc1,"InChI=1/C11H14ClNO/c1-2-13(8-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,7-8H2,1H3",C11H14ClNO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12412,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.319,MFUFJCIFNHFEDW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.327,220-159-1,2645-61-6,"Methyl (2a,5ß,6a)-3,4-didehydroibogamine-18ß-carboxylate monohydrochloride","methyl 3,4-didehydroibogamine-18-carboxylate hydrochloride",Cl.CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC,Cl.CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC,"InChI=1/C21H24N2O2.ClH/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18;/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3;1H",C21H24N2O2.ClH,,,,,,AVBOKMGDTOZFMW-GYMDHWDQSA-N,,,,,,,,,,,
100.018.330,220-162-8,2646-17-5,1-[(2-methylphenyl)azo]-2-naphthol,1-[(2-methylphenyl)diazenyl]-2-naphthol,Cc3ccccc3N=Nc1c2ccccc2ccc1O,Cc3ccccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3",C17H14N2O,,,,,,BQFCCCIRTOLPEF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.332,220-164-9,2648-57-9,"3,3-dichlorobutan-2-one","3,3-dichlorobutan-2-one",CC(=O)C(C)(Cl)Cl,CC(=O)C(C)(Cl)Cl,"InChI=1/C4H6Cl2O/c1-3(7)4(2,5)6/h1-2H3",C4H6Cl2O,,,,,,WBVOVRCGXKWAQT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.339,220-172-2,2650-50-2,Trimethylpropylammonium bromide,"N,N,N-trimethylpropan-1-aminium bromide",[Br-].CCC[N+](C)(C)C,[Br-].CCC[N+](C)(C)C,"InChI=1/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",C6H16N.Br,,,,,,FCGQIZKUTMUWDC-UHFFFAOYSA-M,,,,,,,,,,,
100.017.298,219-027-6,2317-91-1,1-chloro-1-fluoroethylene,1-chloro-1-fluoroethene,FC(=C)Cl,FC(=C)Cl,InChI=1/C2H2ClF/c1-2(3)4/h1H2,C2H2ClF,,,,,,FPBWSPZHCJXUBL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.300,219-029-7,2319-29-1,Decan-1-amide,decanamide,CCCCCCCCCC(=O)N,CCCCCCCCCC(=O)N,"InChI=1/C10H21NO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H2,11,12)",C10H21NO,,,,,,TUTWLYPCGCUWQI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.303,219-032-3,2321-65-5,"2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium","4-(4-{2-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]vinyl}-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-yl)butane-1-sulfonate",[O-]S(=O)(=O)CCCCN2C(\\C)=C(/C(=O)N2c1ccccc1)C(=Cc3sc4cc(OC)ccc4[n+]3C)C=C6Sc5cc(ccc5N6C)OC,[O-]S(=O)(=O)CCCCN2C(\C)=C(/C(=O)N2c1ccccc1)C(=Cc3sc4cc(OC)ccc4[n+]3C)C=C6Sc5cc(ccc5N6C)OC,"InChI=1/C35H36N4O6S3/c1-23-34(35(40)39(25-11-7-6-8-12-25)38(23)17-9-10-18-48(41,42)43)24(19-32-36(2)28-15-13-26(44-4)21-30(28)46-32)20-33-37(3)29-16-14-27(45-5)22-31(29)47-33/h6-8,11-16,19-22H,9-10,17-18H2,1-5H3",C35H36N4O6S3,,,,,,WVXXUIKUBNLFPA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.304,219-033-9,2321-76-8,2-iminocyclopentanecarbonitrile,2-iminocyclopentanecarbonitrile,N=C1CCCC1C#N,N=C1CCCC1C#N,"InChI=1/C6H8N2/c7-4-5-2-1-3-6(5)8/h5,8H,1-3H2",C6H8N2,,,,,,FRMJZJUVLPFLAB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.305,219-034-4,2322-77-2,"13-ß-ethyl-3-methoxygona-2,5(10)-dien-17-one","13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)",CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CCC2=O,CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CCC2=O,"InChI=1/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3",C20H28O2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18673,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.305,PQMRKLSVUBRLLQ-XSYGEPLQSA-N,,,,,,,,,,,
100.014.975,216-471-2,1592-20-7,1-(chloromethyl)-4-vinylbenzene,1-(chloromethyl)-4-vinylbenzene,ClCc1ccc(C=C)cc1,ClCc1ccc(C=C)cc1,"InChI=1/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2",C9H9Cl,,,,,,ZRZHXNCATOYMJH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.977,216-473-3,1592-31-0,"1,4-bis(dibromomethyl)benzene","1,4-bis(dibromomethyl)benzene",BrC(Br)c1ccc(cc1)C(Br)Br,BrC(Br)c1ccc(cc1)C(Br)Br,"InChI=1/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H",C8H6Br4,,,,,,VIQBABDKNOOCQD-UHFFFAOYSA-N,,,,,,,,,,,
100.014.978,216-474-9,1593-77-7,Dodemorph,"4-cyclododecyl-2,6-dimethylmorpholine",CC1CN(CC(C)O1)C2CCCCCCCCCCC2,CC1CN(CC(C)O1)C2CCCCCCCCCCC2,"InChI=1/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3",C18H35NO,,,,,,JMXKCYUTURMERF-UHFFFAOYSA-N,Positive,SM845901,[M+H]+,HCD35,282.2792:116.107:98.0964,CASMI_2016,,,,,
100.014.979,216-475-4,1594-08-7,1-hydroxy-4-[[4-[(methylsulphonyl)oxy]phenyl]amino]anthraquinone,"4-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]phenyl methanesulfonate",CS(=O)(=O)Oc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,CS(=O)(=O)Oc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C21H15NO6S/c1-29(26,27)28-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3",C21H15NO6S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17401,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.979,NTZOUXAZCADJBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.981,216-478-0,1596-09-4,2-cyclohexyl-p-cresol,2-cyclohexyl-4-methylphenol,Cc1ccc(O)c(c1)C2CCCCC2,Cc1ccc(O)c(c1)C2CCCCC2,"InChI=1/C13H18O/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3",C13H18O,,,,,,GTLMTHAWEBRMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.984,216-481-7,1596-63-0,Quinacillin,"3-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)carbamoyl]quinoxaline-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)c3nc4ccccc4nc3C(=O)O)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)c3nc4ccccc4nc3C(=O)O)C(=O)N2[C@H]1C(=O)O,"InChI=1/C18H16N4O6S/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)",C18H16N4O6S,,,,,,GPMSLJIYNWBYEL-TYNCELHUSA-N,,,,,,,,,,,
100.014.989,216-486-4,1597-82-6,Paramethasone 21-acetate,"6-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3",C24H31FO6,,,,,,HYRKAAMZBDSJFJ-LFDBJOOHSA-N,,,,,,,,,,,
100.014.995,216-493-2,1600-44-8,Tetrahydrothiophene 1-oxide,tetrahydrothiophene 1-oxide,O=S1CCCC1,O=S1CCCC1,InChI=1/C4H8OS/c5-6-3-1-2-4-6/h1-4H2,C4H8OS,,,,,,ISXOBTBCNRIIQO-UHFFFAOYSA-N,,,,,,,,,,,
100.014.996,216-494-8,1601-18-9,Methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate,methyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate,COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13,COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13,"InChI=1/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3",C20H18ClNO4,,,,,,OKHORWCUMZIORR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.628,242-508-7,18695-02-8,"(3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide","3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6,"InChI=1/C29H44O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,16,18-22,24-25,30-31,33-35H,3-10,12-15H2,1-2H3",C29H44O9,,,,,,KISYRRMFQYIIFQ-AGAUEGNUSA-N,,,,,,,,,,,
100.038.629,242-509-2,18698-97-0,2-bromophenylacetic acid,(2-bromophenyl)acetic acid,OC(=O)Cc1ccccc1Br,OC(=O)Cc1ccccc1Br,"InChI=1/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)",C8H7BrO2,,,,,,DWXSYDKEWORWBT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.493,243-458-9,20002-32-8,"1,2-diphenyl-1,2-di(o-tolyl)ethane-1,2-diol","1,2-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diol",Cc1ccccc1C(O)(c2ccccc2)C(O)(c3ccccc3)c4ccccc4C,Cc1ccccc1C(O)(c2ccccc2)C(O)(c3ccccc3)c4ccccc4C,"InChI=1/C28H26O2/c1-21-13-9-11-19-25(21)27(29,23-15-5-3-6-16-23)28(30,24-17-7-4-8-18-24)26-20-12-10-14-22(26)2/h3-20,29-30H,1-2H3",C28H26O2,,,,,,KAURRWFQPSCBHO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.494,243-459-4,20004-12-0,"Dodecyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate","dodecyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosan-1-oate",CCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCCCCC,"InChI=1/2C14H28O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;2*1-3-4-2;/h2*17H,2-13H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC36H72O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-39-35(37)33-41-43(31-11-7-3,32-12-8-4)42-34-36(38)40-30-28-26-24-22-20-18-16-14-10-6-2/h5-34H2,1-4H3",C36H72O4S2Sn,,,,,,QWXSPIOOSOTTAU-UHFFFAOYSA-L,,,,,,,,,,,
100.039.499,243-465-7,20013-73-4,"2,6,6-trimethylcyclohex-2-en-1-one","2,6,6-trimethylcyclohex-2-en-1-one",CC1=CCCC(C)(C)C1=O,CC1=CCCC(C)(C)C1=O,"InChI=1/C9H14O/c1-7-5-4-6-9(2,3)8(7)10/h5H,4,6H2,1-3H3",C9H14O,,,,,,NAXZOZQQIIMORY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.259,218-984-7,2307-10-0,S-propyl thioacetate,S-propyl ethanethioate,CCCSC(=O)C,CCCSC(=O)C,"InChI=1/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3",C5H10OS,,,,,,SBWFWBJCYMBZEY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.260,218-985-2,2307-49-5,Tricamba,"2,3,5-trichloro-6-methoxybenzoic acid",COc1c(Cl)cc(Cl)c(Cl)c1C(=O)O,COc1c(Cl)cc(Cl)c(Cl)c1C(=O)O,"InChI=1/C8H5Cl3O3/c1-14-7-4(10)2-3(9)6(11)5(7)8(12)13/h2H,1H3,(H,12,13)",C8H5Cl3O3,,,,,,WCLDITPGPXSPGV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.261,218-986-8,2307-55-3,"Ammonium 2,4-dichlorophenoxyacetate","ammonium (2,4-dichlorophenoxy)acetate",[NH4+].[O-]C(=O)COc1ccc(Cl)cc1Cl,[NH4+].[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.H3N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);1H3",C8H6Cl2O3.H3N,,,,,,AQKNQRMIGNOQQF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.267,218-993-6,2309-48-0,"1,3-di-2-thienyl-2-propen-1-one","1,3-di-2-thienylprop-2-en-1-one",O=C(C=Cc1cccs1)c2cccs2,O=C(C=Cc1cccs1)c2cccs2,InChI=1/C11H8OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H,C11H8OS2,,,,,,WCAGHDMFZMUUPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.268,218-994-1,2309-49-1,Tetramethyluric acid,"1,3,7,9-tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)N(C)C2=C(N(C)C(=O)N2C)C1=O,CN1C(=O)N(C)C2=C(N(C)C(=O)N2C)C1=O,InChI=1/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3,C9H12N4O3,,,,,,QGDOQULISIQFHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.270,218-996-2,2310-17-0,Phosalone,"S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate",CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12,CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12,"InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3",C12H15ClNO4PS2,,,,,,IOUNQDKNJZEDEP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.275,219-001-4,2311-59-3,Isopropyl decanoate,isopropyl decanoate,CCCCCCCCCC(=O)OC(C)C,CCCCCCCCCC(=O)OC(C)C,"InChI=1/C13H26O2/c1-4-5-6-7-8-9-10-11-13(14)15-12(2)3/h12H,4-11H2,1-3H3",C13H26O2,,,,,,PKPPDYGHKDIKBH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.277,219-004-0,2312-15-4,4-(dodecyloxy)benzoic acid,4-(dodecyloxy)benzoic acid,CCCCCCCCCCCCOc1ccc(cc1)C(=O)O,CCCCCCCCCCCCOc1ccc(cc1)C(=O)O,"InChI=1/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3,(H,20,21)",C19H30O3,,,,,,ALQLYJHDBAKLBB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.279,219-006-1,2312-35-8,Propargite,2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite,CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1,CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1,"InChI=1/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3",C19H26O4S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12670,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.279,ZYHMJXZULPZUED-UHFFFAOYSA-N,,,,,,,,,,,
100.017.280,219-007-7,2312-76-7,"Sodium 4,6-dinitro-o-cresolate","sodium 2-methyl-4,6-dinitrophenolate",[Na+].Cc1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-],[Na+].Cc1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O5.Na/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;/q;+1/p-1",C7H6N2O5.Na,,,,,,JQYJSVBNPUHHKB-UHFFFAOYSA-M,,,,,,,,,,,
100.017.281,219-008-2,2312-88-1,"3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl dihydrogen phosphate","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OP(=O)(O)O)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OP(=O)(O)O)c(C)c(C)c2O1,"InChI=1/C29H51O5P/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29/h20-22H,9-19H2,1-8H3,(H2,30,31,32)",C29H51O5P,,,,,,JUIUXBHZFNHITF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.283,219-010-3,2313-87-3,Etoxazene hydrochloride,"4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine hydrochloride",Cl.CCOc1ccc(cc1)N=Nc2ccc(N)cc2N,Cl.CCOc1ccc(cc1)N=Nc2ccc(N)cc2N,"InChI=1/C14H16N4O.ClH/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16;/h3-9H,2,15-16H2,1H3;1H",C14H16N4O.ClH,,,,,,IWHXNINOLLNFGP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.288,219-016-6,4/08/2315,Salazosulfadimidine,"5-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}diazenyl)-2-hydroxybenzoic acid",O=S(=O)(Nc1nc(C)cc(C)n1)c3ccc(N=Nc2cc(C(O)=O)c(O)cc2)cc3,O=S(=O)(Nc1nc(C)cc(C)n1)c3ccc(N=Nc2cc(C(O)=O)c(O)cc2)cc3,"InChI=1/C19H17N5O5S/c1-11-9-12(2)21-19(20-11)24-30(28,29)15-6-3-13(4-7-15)22-23-14-5-8-17(25)16(10-14)18(26)27/h3-10,25H,1-2H3,(H,26,27)(H,20,21,24)",C19H17N5O5S,,,,,,DFPJEJKMDZFZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.670,224-936-6,4563-40-0,"(3,4-dihydro-2H-pyran-2-yl)methyl acrylate","3,4-dihydro-2H-pyran-2-ylmethyl acrylate",C=CC(=O)OCC1CCC=CO1,C=CC(=O)OCC1CCC=CO1,"InChI=1/C9H12O3/c1-2-9(10)12-7-8-5-3-4-6-11-8/h2,4,6,8H,1,3,5,7H2",C9H12O3,,,,,,ZPMJPLRFVUUDDF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.671,224-937-1,4563-45-5,"(3,4-dihydro-2H-pyran-2-yl)methyl methacrylate","3,4-dihydro-2H-pyran-2-ylmethyl methacrylate",CC(=C)C(=O)OCC1CCC=CO1,CC(=C)C(=O)OCC1CCC=CO1,"InChI=1/C10H14O3/c1-8(2)10(11)13-7-9-5-3-4-6-12-9/h4,6,9H,1,3,5,7H2,2H3",C10H14O3,,,,,,LPRYJOKKYFKWSI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.674,224-940-8,4567-18-4,"3,4-dihydro-2,2,5-trimethyl-2H-pyrrole 1-oxide","2,2,5-trimethyl-3,4-dihydro-2H-pyrrole 1-oxide",CC1=[N+]([O-])C(C)(C)CC1,CC1=[N+]([O-])C(C)(C)CC1,"InChI=1/C7H13NO/c1-6-4-5-7(2,3)8(6)9/h4-5H2,1-3H3",C7H13NO,,,,,,QGNOEKXMUHRRJA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.378,219-114-9,2363-88-4,"2,4-decadienal","deca-2,4-dienal",CCCCCC=CC=CC=O,CCCCCC=CC=CC=O,"InChI=1/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3",C10H16O,,,,,,JZQKTMZYLHNFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.384,219-121-7,2365-48-2,Methyl mercaptoacetate,methyl sulfanylacetate,COC(=O)CS,COC(=O)CS,"InChI=1/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3",C3H6O2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16437,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.384,MKIJJIMOAABWGF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.385,219-122-2,2365-85-7,3-amino-4-fluorobenzoic acid,3-amino-4-fluorobenzoic acid,Nc1cc(ccc1F)C(=O)O,Nc1cc(ccc1F)C(=O)O,"InChI=1/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)",C7H6FNO2,,,,,,WFSPEVFSRUTRCN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.386,219-123-8,2366-52-1,1-fluorobutane,1-fluorobutane,CCCCF,CCCCF,"InChI=1/C4H9F/c1-2-3-4-5/h2-4H2,1H3",C4H9F,,,,,,FCBJLBCGHCTPAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.392,219-130-6,2369-13-3,3-fluoro-4-nitroaniline,3-fluoro-4-nitroaniline,Nc1ccc(c(F)c1)[N+](=O)[O-],Nc1ccc(c(F)c1)[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2",C6H5FN2O2,,,,,,KKQPNAPYVIIXFB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.394,219-132-7,9/12/2370,"2,2-dimethylpentan-1-ol","2,2-dimethylpentan-1-ol",CCCC(C)(C)CO,CCCC(C)(C)CO,"InChI=1/C7H16O/c1-4-5-7(2,3)6-8/h8H,4-6H2,1-3H3",C7H16O,,,,,,QTOMCRXZFDHJOL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.397,219-135-3,2370-63-0,2-ethoxyethyl methacrylate,2-ethoxyethyl methacrylate,CCOCCOC(=O)C(=C)C,CCOCCOC(=O)C(=C)C,"InChI=1/C8H14O3/c1-4-10-5-6-11-8(9)7(2)3/h2,4-6H2,1,3H3",C8H14O3,,,,,,SFPNZPQIIAJXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.399,219-137-4,2370-88-9,"2,4,6,8-tetramethylcyclotetrasiloxane","2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O1,C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O1,"InChI=1/C4H16O4Si4/c1-9-5-10(2)7-12(4)8-11(3)6-9/h9-12H,1-4H3",C4H16O4Si4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15844,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.399,BQYPERTZJDZBIR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.407,219-146-3,2373-31-1,6-hydroxy-4-methyl-2-benzopyrone,6-hydroxy-4-methyl-2H-chromen-2-one,CC1=CC(=O)Oc2ccc(O)cc12,CC1=CC(=O)Oc2ccc(O)cc12,"InChI=1/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3",C10H8O3,,,,,,IRUHWRSITUYICV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.410,219-150-5,2373-76-4,o-methylcinnamic acid,3-(2-methylphenyl)acrylic acid,Cc1ccccc1\\C=C\\C(=O)O,Cc1ccccc1\C=C\C(=O)O,"InChI=1/C10H10O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O2,,,,,,RSWBWHPZXKLUEX-VOTSOKGWSA-N,,,,,,,,,,,
100.017.412,219-152-6,2373-84-4,5-allyl-5-ethylbarbituric acid,"5-allyl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(CC=C)C(=O)NC(=O)NC1=O,CCC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1/C9H12N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3H,1,4-5H2,2H3,(H2,10,11,12,13,14)",C9H12N2O3,,,,,,QPADNTZLUBYNEN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.408,223-547-9,3953-30-8,2-methylpentyl acrylate,2-methylpentyl acrylate,CCCC(C)COC(=O)C=C,CCCC(C)COC(=O)C=C,"InChI=1/C9H16O2/c1-4-6-8(3)7-11-9(10)5-2/h5,8H,2,4,6-7H2,1,3H3",C9H16O2,,,,,,SEDMFAYCVMLBFB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.409,223-548-4,3955-26-8,"1,2,4-trichloro-5-(chloromethyl)benzene","1,2,4-trichloro-5-(chloromethyl)benzene",ClCc1cc(Cl)c(Cl)cc1Cl,ClCc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C7H4Cl4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2",C7H4Cl4,,,,,,UBJKMVAYDQUJSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.415,223-555-2,3958-19-8,Triphenylstibine sulphide,triphenylstibine sulfide,S=[Sb](c1ccccc1)(c2ccccc2)c3ccccc3,S=[Sb](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.S.Sb/c3*1-2-4-6-5-3-1;;/h3*1-5H;;/rC18H15SSb/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",C18H15SSb,,,,,,VLSAAACBQLMOTB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.416,223-556-8,3958-56-3,a-iodo-m-nitrotoluene,1-(iodomethyl)-3-nitrobenzene,[O-][N+](=O)c1cccc(CI)c1,[O-][N+](=O)c1cccc(CI)c1,"InChI=1/C7H6INO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2",C7H6INO2,,,,,,VMRVVTVWRDVDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.426,223-567-8,3963-81-3,"4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2,2,3-trichlorobutane-1,1-diol (1:1)","4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one - 2,2,3-trichlorobutane-1,1-diol (1:1)",CC(Cl)C(Cl)(Cl)C(O)O.CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,CC(Cl)C(Cl)(Cl)C(O)O.CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C13H17N3O.C4H7Cl3O2/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-2(5)4(6,7)3(8)9/h5-9H,1-4H3;2-3,8-9H,1H3",C13H17N3O.C4H7Cl3O2,,,,,,WJSLIOCJBDDBGK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.428,223-569-9,3964-18-9,"2,3-dimethyl-2,3-dinitrobutane","2,3-dimethyl-2,3-dinitrobutane",CC(C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-],CC(C)([N+](=O)[O-])C(C)(C)[N+](=O)[O-],"InChI=1/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3",C6H12N2O4,,,,,,DWCLXOREGBLXTD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.431,223-573-0,3964-57-6,Methyl 3-chloro-4-hydroxybenzoate,methyl 3-chloro-4-hydroxybenzoate,COC(=O)c1ccc(O)c(Cl)c1,COC(=O)c1ccc(O)c(Cl)c1,"InChI=1/C8H7ClO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3",C8H7ClO3,,,,,,ZSBIMTDWIGWJPW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.317,219-048-0,2338-18-3,Indan-2-ylammonium chloride,indan-2-aminium chloride,[Cl-].[NH3+]C1Cc2ccccc2C1,[Cl-].[NH3+]C1Cc2ccccc2C1,"InChI=1/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H",C9H11N.ClH,,,,,,XEHNLVMHWYPNEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.321,219-052-2,2338-75-2,4-(trifluoromethyl)phenylacetonitrile,[4-(trifluoromethyl)phenyl]acetonitrile,FC(F)(F)c1ccc(CC#N)cc1,FC(F)(F)c1ccc(CC#N)cc1,"InChI=1/C9H6F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5H2",C9H6F3N,,,,,,QNKOCFJZJWOXDE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.327,219-059-0,2344-83-4,(3-chloropropyl)trimethylsilane,(3-chloropropyl)(trimethyl)silane,C[Si](C)(C)CCCCl,C[Si](C)(C)CCCCl,"InChI=1/C6H15ClSi/c1-8(2,3)6-4-5-7/h4-6H2,1-3H3",C6H15ClSi,,,,,,QXDDDCNYAAJLBT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.328,219-060-6,2/12/2345,12-oxotridecanoic acid,12-oxotridecanoic acid,CC(=O)CCCCCCCCCCC(=O)O,CC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16)",C13H24O3,,,,,,NRVDTUOVKXZNCW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.333,219-065-3,2345-32-6,"4,4,4-trichlorobutyric acid","4,4,4-trichlorobutanoic acid",OC(=O)CCC(Cl)(Cl)Cl,OC(=O)CCC(Cl)(Cl)Cl,"InChI=1/C4H5Cl3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)",C4H5Cl3O2,,,,,,KXPULUVMTDIQOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.336,219-069-5,2345-56-4,Malonamic acid,3-amino-3-oxopropanoic acid,NC(=O)CC(=O)O,NC(=O)CC(=O)O,"InChI=1/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)",C3H5NO3,,,,,,CGJMROBVSBIBKP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.343,219-076-3,2349-13-5,Heptyl isobutyrate,heptyl 2-methylpropanoate,CCCCCCCOC(=O)C(C)C,CCCCCCCOC(=O)C(C)C,"InChI=1/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3",C11H22O2,,,,,,RFDUMBPGZUIKOG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.711,224-981-1,4591-55-3,"Dimethyl pyridine-3,5-dicarboxylate","dimethyl pyridine-3,5-dicarboxylate",COC(=O)c1cncc(c1)C(=O)OC,COC(=O)c1cncc(c1)C(=O)OC,"InChI=1/C9H9NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h3-5H,1-2H3",C9H9NO4,,,,,,HDTNLHHNQYBOHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.715,224-985-3,4593-18-4,1-(chloroacetyl)-2-methylpiperidine,1-(chloroacetyl)-2-methylpiperidine,CC1CCCCN1C(=O)CCl,CC1CCCCN1C(=O)CCl,"InChI=1/C8H14ClNO/c1-7-4-2-3-5-10(7)8(11)6-9/h7H,2-6H2,1H3",C8H14ClNO,,,,,,WCZCFIKPRBDVOM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.718,224-989-5,4594-30-3,"6ß-chloro-9ß,10a-pregn-4-ene-3,20-dione","6-chloropregn-4-ene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,"InChI=1/C21H29ClO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3",C21H29ClO2,,,,,,ICTXWOSKTZKFBH-XHOBZQISSA-N,,,,,,,,,,,
100.022.722,224-993-7,4595-60-2,2-bromopyrimidine,2-bromopyrimidine,Brc1ncccn1,Brc1ncccn1,InChI=1/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H,C4H3BrN2,,,,,,PGFIHORVILKHIA-UHFFFAOYSA-N,,,,,,,,,,,
100.022.734,225-007-8,4605-14-5,"N,N'-bis(3-aminopropyl)propane-1,3-diamine","N,N'-bis(3-aminopropyl)propane-1,3-diamine",NCCCNCCCNCCCN,NCCCNCCCNCCCN,"InChI=1/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2",C9H24N4,,,,,,ZAXCZCOUDLENMH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.737,225-010-4,9/07/4606,Ethyl cyclopropanecarboxylate,ethyl cyclopropanecarboxylate,CCOC(=O)C1CC1,CCOC(=O)C1CC1,"InChI=1/C6H10O2/c1-2-8-6(7)5-3-4-5/h5H,2-4H2,1H3",C6H10O2,,,,,,LDDOSDVZPSGLFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.738,225-012-5,4606-15-9,Propyl phenylacetate,propyl phenylacetate,CCCOC(=O)Cc1ccccc1,CCCOC(=O)Cc1ccccc1,"InChI=1/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C11H14O2,,,,,,GXXFZZLGPFNITM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.741,225-015-1,2/12/4608,3-(dimethylamino)-7-[[4-(dimethylamino)phenyl]azo]-5-phenylphenazinium chloride,3-(dimethylamino)-7-{[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride,[Cl-].CN(C)c1ccc(cc1)N=Nc2cc3[n+](c4cc(ccc4nc3cc2)N(C)C)c5ccccc5,[Cl-].CN(C)c1ccc(cc1)N=Nc2cc3[n+](c4cc(ccc4nc3cc2)N(C)C)c5ccccc5,"InChI=1/C28H27N6.ClH/c1-32(2)22-13-10-20(11-14-22)30-31-21-12-16-25-27(18-21)34(23-8-6-5-7-9-23)28-19-24(33(3)4)15-17-26(28)29-25;/h5-19H,1-4H3;1H/q+1;/p-1",C28H27N6.Cl,,,,,,LJJCIHDBUFNTMG-UHFFFAOYSA-M,,,,,,,,,,,
100.016.875,218-562-2,2182-66-3,Diacetoxydimethylsilane,dimethylsilanediyl diacetate,CC(=O)O[Si](C)(C)OC(=O)C,CC(=O)O[Si](C)(C)OC(=O)C,"InChI=1/C6H12O4Si/c1-5(7)9-11(3,4)10-6(2)8/h1-4H3",C6H12O4Si,,,,,,RQVFGTYFBUVGOP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.876,218-563-8,2182-69-6,(p-tolylsulphonyl)methanol,[(4-methylphenyl)sulfonyl]methanol,Cc1ccc(cc1)S(=O)(=O)CO,Cc1ccc(cc1)S(=O)(=O)CO,"InChI=1/C8H10O3S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5,9H,6H2,1H3",C8H10O3S,,,,,,BXEXEGLXXGXRHP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.256,222-281-0,3404-55-5,4-methylhex-2-ene,4-methylhex-2-ene,CC(CC)C=CC,CC(CC)C=CC,"InChI=1/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3",C7H14,,,,,,MBNDKEPQUVZHCM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.261,222-286-8,3404-73-7,"3,3-dimethylpent-1-ene","3,3-dimethylpent-1-ene",CCC(C)(C)C=C,CCC(C)(C)C=C,"InChI=1/C7H14/c1-5-7(3,4)6-2/h5H,1,6H2,2-4H3",C7H14,,,,,,TXBZITDWMURSEF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.129,245-258-7,22834-80-6,DL-lysine hydrochloride,lysine hydrochloride,Cl.NCCCCC(N)C(=O)O,Cl.NCCCCC(N)C(=O)O,"InChI=1/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H",C6H14N2O2.xClH,,,,,,BVHLGVCQOALMSV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.131,245-260-8,22836-06-2,Cycloheptyltriphenylphosphonium bromide,cycloheptyl(triphenyl)phosphonium bromide,[Br-].C1CCCC(CC1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].C1CCCC(CC1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H28P.BrH/c1-2-7-15-22(14-6-1)26(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h3-5,8-13,16-22H,1-2,6-7,14-15H2;1H/q+1;/p-1",C25H28P.Br,,,,,,IVUDTIKMCGGLAG-UHFFFAOYSA-M,,,,,,,,,,,
100.041.134,245-263-4,22842-54-2,tert-butyl 3-methyl-2-butenoate,tert-butyl 3-methylbut-2-enoate,CC(=CC(=O)OC(C)(C)C)C,CC(=CC(=O)OC(C)(C)C)C,"InChI=1/C9H16O2/c1-7(2)6-8(10)11-9(3,4)5/h6H,1-5H3",C9H16O2,,,,,,KNXISWJTUXKGCI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.141,245-271-8,22865-48-1,p-[(p-nitrophenyl)thio]toluene,1-methyl-4-[(4-nitrophenyl)sulfanyl]benzene,Cc1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,Cc1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C13H11NO2S/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3",C13H11NO2S,,,,,,DLQBSTSAXPLSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.147,245-278-6,22874-42-6,"2,3-dihydro-6-methyl-2-thioxopyrimidin-4(1H)-one, monosodium salt",-,[Na+].CC1=CC(=O)NC(=S)N1,[Na+].CC1=CC(=O)NC(=S)N1,"InChI=1/C5H6N2OS.Na/c1-3-2-4(8)7-5(9)6-3;/h2H,1H3,(H2,6,7,8,9);/q;+1",C5H6N2OS.Na,,,,,,KOXSMEKMHFMILE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.149,245-280-7,22874-92-6,Allyl ethoxyacetate,allyl ethoxyacetate,CCOCC(=O)OCC=C,CCOCC(=O)OCC=C,"InChI=1/C7H12O3/c1-3-5-10-7(8)6-9-4-2/h3H,1,4-6H2,2H3",C7H12O3,,,,,,YOAXXWDLGHHXHL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.152,245-283-3,22881-33-0,N-[(4-chlorophenyl)methyl]pyridin-2-amine,N-(4-chlorobenzyl)pyridin-2-amine,Clc1ccc(CNc2ccccn2)cc1,Clc1ccc(CNc2ccccn2)cc1,"InChI=1/C12H11ClN2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)",C12H11ClN2,,,,,,QCRNCCIQUTVWLT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.159,245-291-7,22884-29-3,Isobutyltriphenylphosphonium bromide,isobutyl(triphenyl)phosphonium bromide,[Br-].CC(C)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CC(C)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H24P.BrH/c1-19(2)18-23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,18H2,1-2H3;1H/q+1;/p-1",C22H24P.Br,,,,,,VIKPDPHNYHUZQW-UHFFFAOYSA-M,,,,,,,,,,,
100.041.161,245-293-8,22884-95-3,"3,4-dimethylbenzonitrile","3,4-dimethylbenzonitrile",Cc1ccc(cc1C)C#N,Cc1ccc(cc1C)C#N,"InChI=1/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3",C9H9N,,,,,,OWISXYQFTOYGRO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.162,245-294-3,22885-98-9,(R)-4-hydroxy-5-methylfuran-2(5H)-one,4-hydroxy-5-methylfuran-2(5H)-one,C[C@H]1OC(=O)C=C1O,C[C@H]1OC(=O)C=C1O,"InChI=1/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3",C5H6O3,,,,,,JGAAAWQBYJNOIW-GSVOUGTGSA-N,,,,,,,,,,,
100.017.591,219-349-7,2421-44-5,2-(dimethylamino)ethyl methacrylate hydrochloride,2-(dimethylamino)ethyl 2-methylacrylate hydrochloride,Cl.CN(C)CCOC(=O)C(=C)C,Cl.CN(C)CCOC(=O)C(=C)C,"InChI=1/C8H15NO2.ClH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H",C8H15NO2.ClH,,,,,,JCRDPEHHTDKTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.592,219-350-2,2422-88-0,Tributyl-2-thiourea,"1,1,3-tributylthiourea",CCCCNC(=S)N(CCCC)CCCC,CCCCNC(=S)N(CCCC)CCCC,"InChI=1/C13H28N2S/c1-4-7-10-14-13(16)15(11-8-5-2)12-9-6-3/h4-12H2,1-3H3,(H,14,16)",C13H28N2S,,,,,,UDYXMTORTDACTG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.596,219-354-4,3/01/2424,N-methyldiallylamine,N-allyl-N-methylprop-2-en-1-amine,CN(CC=C)CC=C,CN(CC=C)CC=C,"InChI=1/C7H13N/c1-4-6-8(3)7-5-2/h4-5H,1-2,6-7H2,3H3",C7H13N,,,,,,WGESLFUSXZBFQF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.603,219-362-8,2424-98-8,Vinyl isobutyrate,vinyl 2-methylpropanoate,CC(C)C(=O)OC=C,CC(C)C(=O)OC=C,"InChI=1/C6H10O2/c1-4-8-6(7)5(2)3/h4-5H,1H2,2-3H3",C6H10O2,,,,,,WNMORWGTPVWAIB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.609,219-369-6,2425-74-3,"N-(1,1-dimethylethyl)formamide",N-tert-butylformamide,CC(C)(C)NC=O,CC(C)(C)NC=O,"InChI=1/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)",C5H11NO,,,,,,SDLAKRCBYGZJRW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.610,219-370-1,2425-77-6,2-hexyldecan-1-ol,2-hexyldecan-1-ol,CCCCCCCCC(CO)CCCCCC,CCCCCCCCC(CO)CCCCCC,"InChI=1/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3",C16H34O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5585,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.610,XULHFMYCBKQGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.676,224-942-9,4567-23-1,"2,2,5,5-tetramethylpyrrolidinium chloride","2,2,5,5-tetramethylpyrrolidinium chloride",[Cl-].CC1(C)CCC(C)(C)[NH2+]1,[Cl-].CC1(C)CCC(C)(C)[NH2+]1,"InChI=1/C8H17N.ClH/c1-7(2)5-6-8(3,4)9-7;/h9H,5-6H2,1-4H3;1H",C8H17N.ClH,,,,,,JXQCNIIUUHSGMK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.679,224-946-0,4568-45-0,"2-[1-amino-9,10-bis(sulphooxy)-2-anthryl]anthra[2,3-d]oxazole-5,10-diyl bis(hydrogen sulphate)","1-amino-2-[5,10-bis(sulfooxy)anthra[2,3-d][1,3]oxazol-2-yl]anthracene-9,10-diyl bis(hydrogen sulfate)",Nc1c(ccc2c(OS(=O)(=O)O)c3ccccc3c(OS(=O)(=O)O)c12)c4oc5cc6c(OS(=O)(=O)O)c7ccccc7c(OS(=O)(=O)O)c6cc5n4,Nc1c(ccc2c(OS(=O)(=O)O)c3ccccc3c(OS(=O)(=O)O)c12)c4oc5cc6c(OS(=O)(=O)O)c7ccccc7c(OS(=O)(=O)O)c6cc5n4,"InChI=1/C29H18N2O17S4/c30-24-18(10-9-17-23(24)28(48-52(41,42)43)16-8-4-3-7-15(16)25(17)45-49(32,33)34)29-31-21-11-19-20(12-22(21)44-29)27(47-51(38,39)40)14-6-2-1-5-13(14)26(19)46-50(35,36)37/h1-12H,30H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)",C29H18N2O17S4,,,,,,QZXVIVPPIIRMCP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.682,224-949-7,4568-81-4,"p-hydroxyphenyl 2,5-dimethyl-3-furyl ketone","(2,5-dimethyl-3-furyl)(4-hydroxyphenyl)methanone",Cc1oc(C)c(c1)C(=O)c2ccc(O)cc2,Cc1oc(C)c(c1)C(=O)c2ccc(O)cc2,"InChI=1/C13H12O3/c1-8-7-12(9(2)16-8)13(15)10-3-5-11(14)6-4-10/h3-7,14H,1-2H3",C13H12O3,,,,,,SSAQWXVJZDVART-UHFFFAOYSA-N,,,,,,,,,,,
100.022.697,224-965-4,4582-18-7,Endomide,"N,N,N',N'-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide",O=C([C@@H]2[C@@H](C(=O)N(CC)CC)[C@@H]\\1C[C@H]2/C=C/1)N(CC)CC,O=C([C@@H]2[C@@H](C(=O)N(CC)CC)[C@@H]\1C[C@H]2/C=C/1)N(CC)CC,"InChI=1/C17H28N2O2/c1-5-18(6-2)16(20)14-12-9-10-13(11-12)15(14)17(21)19(7-3)8-4/h9-10,12-15H,5-8,11H2,1-4H3",C17H28N2O2,,,,,,BXAMVNHBXFXFSK-XGUBFFRZSA-N,,,,,,,,,,,
100.022.699,224-968-0,4584-23-0,"2,2,6-trimethyl-1-oxaspiro[2.5]oct-5-ene","2,2,6-trimethyl-1-oxaspiro[2.5]oct-5-ene",CC1=CCC2(CC1)OC2(C)C,CC1=CCC2(CC1)OC2(C)C,"InChI=1/C10H16O/c1-8-4-6-10(7-5-8)9(2,3)11-10/h4H,5-7H2,1-3H3",C10H16O,,,,,,RTLTXXDTPFWZLO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.707,224-976-4,4589-97-3,2-(hydroxyimino)-2-phenylacetaldehyde oxime,(hydroxyimino)(phenyl)acetaldehyde oxime,ON=C(\\C=N\\O)c1ccccc1,ON=C(\C=N\O)c1ccccc1,"InChI=1/C8H8N2O2/c11-9-6-8(10-12)7-4-2-1-3-5-7/h1-6,11-12H",C8H8N2O2,,,,,,MLXJSLOEWNSWKU-UEFMMBTQSA-N,,,,,,,,,,,
100.022.708,224-978-5,4590-57-2,"Hydrogen hexafluorophosphate(1-), compound with 1,1'-oxybis[ethane] (1:1)","hydrogen hexafluorophosphate - 1,1'-oxydiethane (1:1)",CCOCC.F[P-](F)(F)(F)(F)F,CCOCC.F[P-](F)(F)(F)(F)F,"InChI=1/C4H10O.F6P/c1-3-5-4-2;1-7(2,3,4,5)6/h3-4H2,1-2H3;/q;-1",C4H10O.F6P.H,,,,,,HYLHKMCSDTWIHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.705,220-575-3,2818-69-1,5-chloro-2-methyl-1H-benzimidazole,6-chloro-2-methyl-1H-benzimidazole,Cc1nc2ccc(Cl)cc2[nH]1,Cc1nc2ccc(Cl)cc2[nH]1,"InChI=1/C8H7ClN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)",C8H7ClN2,,,,,,NICFDLORAOTXMD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.709,220-580-0,2819-86-5,Pentamethylphenol,pentamethylphenol,Cc1c(C)c(C)c(O)c(C)c1C,Cc1c(C)c(C)c(O)c(C)c1C,"InChI=1/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3",C11H16O,,,,,,WALBTDFSFTVXII-UHFFFAOYSA-N,,,,,,,,,,,
100.018.711,220-582-1,2824-31-9,Potassium O-(2-ethylhexyl) dithiocarbonate,potassium O-(2-ethylhexyl) dithiocarbonate,[K+].CCCCC(CC)COC(=S)[S-],[K+].CCCCC(CC)COC(=S)[S-],"InChI=1/C9H18OS2.K/c1-3-5-6-8(4-2)7-10-9(11)12;/h8H,3-7H2,1-2H3,(H,11,12);/q;+1/p-1",C9H18OS2.K,,,,,,MBPCIOPMOKXKRD-UHFFFAOYSA-M,,,,,,,,,,,
100.018.712,220-583-7,2825-28-7,3-thioxobutyramide hydrochloride,3-thioxobutanamide hydrochloride,Cl.CC(=S)CC(=O)N,Cl.CC(=S)CC(=O)N,"InChI=1/C4H7NOS.ClH/c1-3(7)2-4(5)6;/h2H2,1H3,(H2,5,6);1H",C4H7NOS.ClH,,,,,,PXXVYUHJUNAKGP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.715,220-586-3,2825-83-4,"(3aa,4a,7a,7aa)-octahydro-4,7-methano-1H-indene","octahydro-1H-4,7-methanoindene",C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1,C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1,"InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2",C10H16,,,,,,LPSXSORODABQKT-YNFQOJQRSA-N,,,,,,,,,,,
100.018.727,220-599-4,2832-30-6,"1,4-dichloro-5,8-dihydroxyanthraquinone","1,4-dichloro-5,8-dihydroxy-9,10-anthraquinone",Oc1ccc(O)c2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c12,Oc1ccc(O)c2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c12,"InChI=1/C14H6Cl2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H",C14H6Cl2O4,,,,,,MEHLXACDLXEVBE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.733,220-606-0,2834-92-6,1-amino-2-naphthol,1-amino-2-naphthol,Nc1c(O)ccc2ccccc12,Nc1c(O)ccc2ccccc12,"InChI=1/C10H9NO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H,11H2",C10H9NO,,,,,,FHMMQQXRSYSWCM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.297,220-126-1,2636-14-8,Barium diicosanoate,barium diicosanoate,[Ba+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C20H40O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2",C20H40O2.1/2Ba,,,,,,OWILMSYOGSOBBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.021.432,223-574-6,3964-58-7,3-chloro-4-hydroxybenzoic acid,3-chloro-4-hydroxybenzoic acid,OC(=O)c1ccc(O)c(Cl)c1,OC(=O)c1ccc(O)c(Cl)c1,"InChI=1/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)",C7H5ClO3,,,,,,QGNLHMKIGMZKJX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.446,223-589-8,3970-21-6,"1-chloro-2,5-dioxahexane",1-(chloromethoxy)-2-methoxyethane,COCCOCCl,COCCOCCl,"InChI=1/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3",C4H9ClO2,,,,,,BIAAQBNMRITRDV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.448,223-591-9,3970-40-9,2-chloro-3-nitrotoluene,2-chloro-1-methyl-3-nitrobenzene,Cc1cccc(c1Cl)[N+](=O)[O-],Cc1cccc(c1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3",C7H6ClNO2,,,,,,XTSGZXRUCAWXKY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.452,223-596-6,3971-76-4,"2H-pyrido[2,3-e]-1,3-oxazine-2,4(3H)-dione","2H-pyrido[2,3-e][1,3]oxazine-2,4(3H)-dione",O=C1NC(=O)c2ncccc2O1,O=C1NC(=O)c2ncccc2O1,"InChI=1/C7H4N2O3/c10-6-5-4(2-1-3-8-5)12-7(11)9-6/h1-3H,(H,9,10,11)",C7H4N2O3,,,,,,PAOWOJRQGBFDQG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.839,220-722-1,2877-26-1,Octadecyl isothiocyanate,1-isothiocyanatooctadecane,CCCCCCCCCCCCCCCCCCN=C=S,CCCCCCCCCCCCCCCCCCN=C=S,"InChI=1/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3",C19H37NS,,,,,,VJIRSSFEIRFISD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.847,220-731-0,2881-38-1,"Methyl 2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate","methyl 3-(1-phenylethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate",COC(=O)C1=CNC(=S)N1C(C)c2ccccc2,COC(=O)C1=CNC(=S)N1C(C)c2ccccc2,"InChI=1/C13H14N2O2S/c1-9(10-6-4-3-5-7-10)15-11(12(16)17-2)8-14-13(15)18/h3-9H,1-2H3,(H,14,18)",C13H14N2O2S,,,,,,NWCPYHVKKGNOBM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.848,220-732-6,2881-62-1,Disodium acetylide,"(mu-ethyne-1,2-diyl-kappaC~1~:kappaC~2~)disodium",[Na]C#C[Na],[Na]C#C[Na],InChI=1/C2.2Na/c1-2;;/rC2Na2/c3-1-2-4,C2Na2,,,,,,QQSPDJOXCOAHRE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.852,220-736-8,2882-20-4,2-methyl-3-(methylthio)pyrazine,2-methyl-3-(methylsulfanyl)pyrazine,CSc1nccnc1C,CSc1nccnc1C,"InChI=1/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3",C6H8N2S,,,,,,PPPFFGVGWFKTHX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.855,220-739-4,5/02/2883,Nonylcyclohexane,nonylcyclohexane,CCCCCCCCCC1CCCCC1,CCCCCCCCCC1CCCCC1,"InChI=1/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3",C15H30,,,,,,CLMFECCMAVQYQA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.857,220-742-0,2883-45-6,"Hepta-1,6-dien-4-ol","hepta-1,6-dien-4-ol",OC(CC=C)CC=C,OC(CC=C)CC=C,"InChI=1/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2",C7H12O,,,,,,UTGFOWQYZKTZTN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.858,220-743-6,2883-98-9,"(E)-1,2,4-trimethoxy-5-prop-1-enylbenzene","1,2,4-trimethoxy-5-prop-1-en-1-ylbenzene",COc1cc(OC)c(\\C=C\\C)cc1OC,COc1cc(OC)c(\C=C\C)cc1OC,"InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3",C12H16O3,,,,,,RKFAZBXYICVSKP-AATRIKPKSA-N,,,,,,,,,,,
100.018.860,220-745-7,2885-01-0,Butyl glycinate,butyl glycinate,CCCCOC(=O)CN,CCCCOC(=O)CN,"InChI=1/C6H13NO2/c1-2-3-4-9-6(8)5-7/h2-5,7H2,1H3",C6H13NO2,,,,,,ONDMKQWGMAVUNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.419,220-261-6,2691-45-4,"2,2'-[(1,2-diethylethylene)bis(p-phenyleneoxy)]bis(triethyl)amine","2,2'-[hexane-3,4-diylbis(4,1-phenyleneoxy)]bis(N,N-diethylethanamine)",CCC(C(CC)c1ccc(OCCN(CC)CC)cc1)c2ccc(OCCN(CC)CC)cc2,CCC(C(CC)c1ccc(OCCN(CC)CC)cc1)c2ccc(OCCN(CC)CC)cc2,"InChI=1/C30H48N2O2/c1-7-29(25-13-17-27(18-14-25)33-23-21-31(9-3)10-4)30(8-2)26-15-19-28(20-16-26)34-24-22-32(11-5)12-6/h13-20,29-30H,7-12,21-24H2,1-6H3",C30H48N2O2,,,,,,UBDWKOZBPSKHMO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.425,220-267-9,2695-47-8,6-bromohex-1-ene,6-bromohex-1-ene,BrCCCCC=C,BrCCCCC=C,"InChI=1/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2",C6H11Br,,,,,,RIMXEJYJXDBLIE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.432,220-275-2,2698-38-6,Ethyl 4-chloro-o-tolyloxyacetate,ethyl (4-chloro-2-methylphenoxy)acetate,CCOC(=O)COc1ccc(Cl)cc1C,CCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C11H13ClO3/c1-3-14-11(13)7-15-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3",C11H13ClO3,,,,,,OUYDEKFRLSFDMU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.433,220-276-8,2698-39-7,Propyl (4-chloro-2-methylphenoxy)acetate,propyl (4-chloro-2-methylphenoxy)acetate,CCCOC(=O)COc1ccc(Cl)cc1C,CCCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C12H15ClO3/c1-3-6-15-12(14)8-16-11-5-4-10(13)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3",C12H15ClO3,,,,,,DVMRDJHXBLTNCC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.437,220-281-5,2699-79-8,Sulphuryl difluoride,sulfuryl difluoride,FS(=O)(=O)F,FS(=O)(=O)F,"InChI=1/F2O2S/c1-5(2,3)4",F2O2S,,,,,,OBTWBSRJZRCYQV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.441,220-285-7,2700-47-2,1-(6-methoxy-2-naphthyl)propan-1-one,1-(6-methoxy-2-naphthyl)propan-1-one,CCC(=O)c1ccc2cc(OC)ccc2c1,CCC(=O)c1ccc2cc(OC)ccc2c1,"InChI=1/C14H14O2/c1-3-14(15)12-5-4-11-9-13(16-2)7-6-10(11)8-12/h4-9H,3H2,1-2H3",C14H14O2,,,,,,LWOTXBQKJLOAOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.272,222-298-3,3411-58-3,Ethyl L-cysteinate,ethyl L-cysteinate,CCOC(=O)[C@@H](N)CS,CCOC(=O)[C@@H](N)CS,"InChI=1/C5H11NO2S/c1-2-8-5(7)4(6)3-9/h4,9H,2-3,6H2,1H3",C5H11NO2S,,,,,,YVKSGVDJQXLXDV-BYPYZUCNSA-N,,,,,,,,,,,
100.020.281,222-308-6,3414-89-9,Potassium linoleate,"potassium octadeca-9,12-dienoate",[K+].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[K+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H32O2.K,,,,,,BAYJYBALPIYBQQ-NBTZWHCOSA-M,,,,,,,,,,,
100.020.285,222-312-8,3416-26-0,Lidoflazine,"2-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}-N-(2,6-dimethylphenyl)acetamide",Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2,Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2,"InChI=1/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)",C30H35F2N3O,,,,,,ZBIAKUMOEKILTF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.289,222-317-5,3424-21-3,Triisopropylamine,"N,N-diisopropylpropan-2-amine",CC(C)N(C(C)C)C(C)C,CC(C)N(C(C)C)C(C)C,"InChI=1/C9H21N/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3",C9H21N,,,,,,RKBCYCFRFCNLTO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.290,222-318-0,3424-82-6,"2,2,o,p'-tetrachlorovinylidenebisbenzene","1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)vinyl]benzene",ClC(=C(c1ccc(Cl)cc1)c2ccccc2Cl)Cl,ClC(=C(c1ccc(Cl)cc1)c2ccccc2Cl)Cl,InChI=1/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H,C14H8Cl4,,,,,,ZDYJWDIWLRZXDB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.293,222-321-7,3425-61-4,tert-pentyl hydroperoxide,"1,1-dimethylpropyl hydroperoxide",CCC(C)(C)OO,CCC(C)(C)OO,"InChI=1/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3",C5H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5881,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.293,XRXANEMIFVRKLN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.347,220-181-1,2654-58-2,"4,4-dimethyl-1-phenyl-3-pyrazolidone","4,4-dimethyl-1-phenylpyrazolidin-3-one",CC1(C)CN(NC1=O)c2ccccc2,CC1(C)CN(NC1=O)c2ccccc2,"InChI=1/C11H14N2O/c1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)",C11H14N2O,,,,,,SJSJAWHHGDPBOC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.354,220-189-5,2657-00-3,"Sodium 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","sodium 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,[Na+].[O-]S(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,"InChI=1/C10H6N2O4S.Na/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16;/h1-5H,(H,14,15,16);/q;+1/p-1",C10H6N2O4S.Na,,,,,,VJAMVDVXDKBSMX-UHFFFAOYSA-M,,,,,,,,,,,
100.018.355,220-190-0,2657-87-6,3-(4-aminophenoxy)aniline,3-(4-aminophenoxy)aniline,Nc1ccc(Oc2cccc(N)c2)cc1,Nc1ccc(Oc2cccc(N)c2)cc1,"InChI=1/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2",C12H12N2O,,,,,,ZBMISJGHVWNWTE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.364,220-200-3,2666-14-0,Trisodium hydrogen (1-hydroxyethylidene)bisphosphonate,"trisodium hydrogen (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[Na+].[Na+].[Na+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[Na+].[Na+].[Na+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.3Na/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;/q;3*+1/p-4",C2H8O7P2.3Na,,,,,,KCYJBQNPOFBNHE-UHFFFAOYSA-J,,,,,,,,,,,
100.018.372,220-209-2,2669-15-0,"1,1'-(p-phenylenedicarbonyl)bis[hexahydro-2H-azepin-2-one]","1,1'-(1,4-phenylenedicarbonyl)diazepan-2-one",O=C(N1CCCCCC1=O)c2ccc(cc2)C(=O)N3CCCCCC3=O,O=C(N1CCCCCC1=O)c2ccc(cc2)C(=O)N3CCCCCC3=O,"InChI=1/C20H24N2O4/c23-17-7-3-1-5-13-21(17)19(25)15-9-11-16(12-10-15)20(26)22-14-6-2-4-8-18(22)24/h9-12H,1-8,13-14H2",C20H24N2O4,,,,,,IOGGBUVFUGPCLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.876,221-863-1,3260-89-7,2-chloro-6-methoxybenzoic acid,2-chloro-6-methoxybenzoic acid,COc1cccc(Cl)c1C(=O)O,COc1cccc(Cl)c1C(=O)O,"InChI=1/C8H7ClO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)",C8H7ClO3,,,,,,JUOHBAJZQDTICO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.878,221-865-2,3261-62-9,p-methylphenethylamine,2-(4-methylphenyl)ethanamine,Cc1ccc(CCN)cc1,Cc1ccc(CCN)cc1,"InChI=1/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3",C9H13N,,,,,,VKJXAQYPOTYDLO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.879,221-866-8,1/03/3262,"1-chloro-3,4-dihydronaphthalene-2-carbaldehyde","1-chloro-3,4-dihydronaphthalene-2-carbaldehyde",ClC1=C(CCc2ccccc12)C=O,ClC1=C(CCc2ccccc12)C=O,"InChI=1/C11H9ClO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2",C11H9ClO,,,,,,GBRFPPIJEHQBGK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.881,221-868-9,3262-86-0,"4,5-bis(acetoxymethyl)-2-methyl-3-pyridyl laurate hydrochloride","4,5-bis(acetoxymethyl)-2-methylpyridin-3-yl dodecanoate hydrochloride",Cl.CCCCCCCCCCCC(=O)Oc1c(C)ncc(COC(=O)C)c1COC(=O)C,Cl.CCCCCCCCCCCC(=O)Oc1c(C)ncc(COC(=O)C)c1COC(=O)C,"InChI=1/C24H37NO6.ClH/c1-5-6-7-8-9-10-11-12-13-14-23(28)31-24-18(2)25-15-21(16-29-19(3)26)22(24)17-30-20(4)27;/h15H,5-14,16-17H2,1-4H3;1H",C24H37NO6.ClH,,,,,,LLIAEBRVLJUFFN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.620,219-381-1,2429-70-1,"Disodium 4-amino-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1-sulphonate",disodium 4-amino-3-({4'-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)c(N)c6ccccc56,[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(cc1)c2ccc(cc2)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)c(N)c6ccccc56,"InChI=1/C32H23N5O7S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)36-34-21-13-9-19(10-14-21)20-11-15-22(16-12-20)35-37-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)38;;/h1-18,38H,33H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C32H23N5O7S2.2Na,,,,,,ZWYHVBGOBINPHN-UHFFFAOYSA-L,,,,,,,,,,,
100.017.624,219-385-3,2429-74-5,"Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonate]","tetrasodium 3,3'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H28N6O16S4.4Na,,,,,,OLSOUGWNONTDCK-UHFFFAOYSA-J,,,,,,,,,,,
100.019.127,221-039-1,2983-21-3,3-heptyldihydrofuran-2(3H)-one,3-heptyldihydrofuran-2(3H)-one,CCCCCCCC1CCOC1=O,CCCCCCCC1CCOC1=O,"InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-13-11(10)12/h10H,2-9H2,1H3",C11H20O2,,,,,,ABQLAMJAQZFPJI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.128,221-040-7,2983-26-8,"1,2-dibromo-1-ethoxyethane","1,2-dibromo-1-ethoxyethane",CCOC(Br)CBr,CCOC(Br)CBr,"InChI=1/C4H8Br2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3",C4H8Br2O,,,,,,YNQUMIFEHUKSMO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.129,221-041-2,2983-35-9,Ethylylidene triacetate,"ethane-1,1,2-triyl triacetate",CC(=O)OCC(OC(=O)C)OC(=O)C,CC(=O)OCC(OC(=O)C)OC(=O)C,"InChI=1/C8H12O6/c1-5(9)12-4-8(13-6(2)10)14-7(3)11/h8H,4H2,1-3H3",C8H12O6,,,,,,AAGNGQHUXRGJEP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.134,221-047-5,2984-50-1,Hexyloxirane,2-hexyloxirane,CCCCCCC1CO1,CCCCCCC1CO1,"InChI=1/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3",C8H16O,,,,,,NJWSNNWLBMSXQR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.645,223-809-2,4083-57-2,1-isopropyl-2-methylpropylamine,"2,4-dimethylpentan-3-amine",CC(C)C(N)C(C)C,CC(C)C(N)C(C)C,"InChI=1/C7H17N/c1-5(2)7(8)6(3)4/h5-7H,8H2,1-4H3",C7H17N,,,,,,FATQVQVMXNESGD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.659,223-824-4,4089-58-1,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(fluorosulphonyl)ethoxy]propoxy]propionyl fluoride","2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(fluorosulfonyl)ethoxy]propoxy}propanoyl fluoride",FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F)C(F)(F)F,FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F)C(F)(F)F,"InChI=1/C8F16O5S/c9-1(25)2(10,4(12,13)14)28-6(18,19)3(11,5(15,16)17)29-7(20,21)8(22,23)30(24,26)27",C8F16O5S,,,,,,KKFBQYPRBYZJNU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.663,223-829-1,4090-51-1,"2,2'-oxybis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2'-disulphide","2,2'-oxybis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-disulfide",CC1(C)COP(=S)(OP2(=S)OCC(C)(C)CO2)OC1,CC1(C)COP(=S)(OP2(=S)OCC(C)(C)CO2)OC1,"InChI=1/C10H20O5P2S2/c1-9(2)5-11-16(18,12-6-9)15-17(19)13-7-10(3,4)8-14-17/h5-8H2,1-4H3",C10H20O5P2S2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5808,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.663,GAUFKBQSTGCCOC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.671,223-838-0,4093-28-1,Methyl 4-(acetylamino)salicylate,methyl 4-acetamido-2-hydroxybenzoate,COC(=O)c1ccc(NC(=O)C)cc1O,COC(=O)c1ccc(NC(=O)C)cc1O,"InChI=1/C10H11NO4/c1-6(12)11-7-3-4-8(9(13)5-7)10(14)15-2/h3-5,13H,1-2H3,(H,11,12)",C10H11NO4,,,,,,LCXHOHRQXZMSQN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.674,223-841-7,4093-34-9,Methyl 4-(acetylamino)-5-bromo-o-anisate,methyl 4-acetamido-5-bromo-2-methoxybenzoate,COC(=O)c1cc(Br)c(NC(=O)C)cc1OC,COC(=O)c1cc(Br)c(NC(=O)C)cc1OC,"InChI=1/C11H12BrNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)",C11H12BrNO4,,,,,,FCOKFEDHOPDIEH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.675,223-842-2,4093-35-0,Bromopride,4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,"InChI=1/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",C14H22BrN3O2,,,,,,GIYAQDDTCWHPPL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.644,242-526-5,18719-22-7,1-[(4-chlorophenyl)benzyl]piperazine hydrochloride,1-[(4'-chlorobiphenyl-2-yl)methyl]piperazine hydrochloride,Cl.Clc1ccc(cc1)c2ccccc2CN3CCNCC3,Cl.Clc1ccc(cc1)c2ccccc2CN3CCNCC3,"InChI=1/C17H19ClN2.ClH/c18-16-7-5-14(6-8-16)17-4-2-1-3-15(17)13-20-11-9-19-10-12-20;/h1-8,19H,9-13H2;1H",C17H19ClN2.xClH,,,,,,FHRKBDUKXOMPMW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.650,242-532-8,18720-66-6,6-methylheptan-3-ol,6-methylheptan-3-ol,CCC(O)CCC(C)C,CCC(O)CCC(C)C,"InChI=1/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3",C8H18O,,,,,,MNBIBGDICHMQFN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.652,242-534-9,18721-61-4,3-(ethylthio)propanol,3-(ethylsulfanyl)propan-1-ol,CCSCCCO,CCSCCCO,"InChI=1/C5H12OS/c1-2-7-5-3-4-6/h6H,2-5H2,1H3",C5H12OS,,,,,,KRUJXSIEMOWXOF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.654,242-537-5,18725-37-6,Dacisteine,"N,S-diacetyl-L-cysteine",CC(=O)N[C@@H](CSC(=O)C)C(=O)O,CC(=O)N[C@@H](CSC(=O)C)C(=O)O,"InChI=1/C7H11NO4S/c1-4(9)8-6(7(11)12)3-13-5(2)10/h6H,3H2,1-2H3,(H,8,9)(H,11,12)",C7H11NO4S,,,,,,HSPYGHDTVQJUDE-LURJTMIESA-N,,,,,,,,,,,
100.018.298,220-127-7,2636-16-0,Barium didocosanoate,barium didocosanoate,[Ba+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C22H44O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2",C22H44O2.1/2Ba,,,,,,HKYBCZMGCVOGCR-UHFFFAOYSA-L,,,,,,,,,,,
100.018.301,220-130-3,2636-26-2,Cyanophos,"O-(4-cyanophenyl) O,O-dimethyl thiophosphate",COP(=S)(OC)Oc1ccc(cc1)C#N,COP(=S)(OC)Oc1ccc(cc1)C#N,"InChI=1/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3",C9H10NO3PS,,,,,,SCKHCCSZFPSHGR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.304,220-134-5,2638-57-5,"(24<U+03BE>)-ergosta-5,22(E)-dien-3ß-ol","ergosta-5,22-dien-3-ol",CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3",C28H46O,,,,,,OILXMJHPFNGGTO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.315,220-146-0,2642-63-9,"1-(3,4-dichlorophenyl)ethan-1-one","1-(3,4-dichlorophenyl)ethanone",CC(=O)c1ccc(Cl)c(Cl)c1,CC(=O)c1ccc(Cl)c(Cl)c1,"InChI=1/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3",C8H6Cl2O,,,,,,WBPAOUHWPONFEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.316,220-147-6,2642-71-9,Azinphos-ethyl,"O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] dithiophosphate",CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O,CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O,"InChI=1/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3",C12H16N3O3PS2,,,,,,RQVGAIADHNPSME-UHFFFAOYSA-N,Positive,SM847802;EQ365401|EQ365402|EQ365403|EQ365404|EQ365405|EQ365406|EQ365407|EQ365408|EQ365409,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,114.9614:137.0056:132.0444;132.0445:260.9807:232.9493|132.0445:114.9614:137.0057|114.9614:137.0057:132.0445|114.9614:137.0057:95.0492|114.9614:95.0492:109.0108|114.9615:109.0108:95.0492|114.9615:51.023:64.9788|51.023:64.9788:114.9615|51.023:50.0152:64.9788,CASMI_2016;Eawag,,,,,
100.018.323,220-154-4,2644-70-4,Hydrazinium chloride,diazanium chloride,[Cl-].N[NH3+],[Cl-].N[NH3+],InChI=1/ClH.H4N2/c;1-2/h1H;1-2H2,ClH.H4N2,,,,,,BIVUUOPIAYRCAP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.326,220-158-6,2645-22-9,"4,4'-dithiodipyridine","4,4'-disulfanediyldipyridine",S(Sc1ccncc1)c2ccncc2,S(Sc1ccncc1)c2ccncc2,InChI=1/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,C10H8N2S2,,,,,,UHBAPGWWRFVTFS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.329,220-161-2,2646-15-3,"1,4-bis(pentylamino)anthraquinone","1,4-bis(pentylamino)-9,10-anthraquinone",CCCCCNc1ccc(NCCCCC)c2C(=O)c3ccccc3C(=O)c12,CCCCCNc1ccc(NCCCCC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C24H30N2O2/c1-3-5-9-15-25-19-13-14-20(26-16-10-6-4-2)22-21(19)23(27)17-11-7-8-12-18(17)24(22)28/h7-8,11-14,25-26H,3-6,9-10,15-16H2,1-2H3",C24H30N2O2,,,,,,RHGBRYSELHPAFL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.334,220-167-5,2650-17-1,"Sodium hydrogen 4-[[4-(ethylamino)-m-tolyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulphonate","sodium hydrogen 4-{[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl}benzene-1,3-disulfonate",[H+].[Na+].[O-]S(=O)(=O)c1ccc(c(c1)S([O-])(=O)=O)C(c2ccc(NCC)c(C)c2)=C/3/C=C\\C(=NCC)C(\\C)=C\\3,[H+].[Na+].[O-]S(=O)(=O)c1ccc(c(c1)S([O-])(=O)=O)C(c2ccc(NCC)c(C)c2)=C/3/C=C\C(=NCC)C(\C)=C\3,"InChI=1/C25H28N2O6S2.Na.H2/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33;;/h7-15,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);;1H/q;2*+1/p-2",C25H28N2O6S2.Na,,,,,,VVLFAAMTGMGYBS-UHFFFAOYSA-M,,,,,,,,,,,
100.017.299,219-028-1,2318-25-4,Ethyl 3-ethoxy-3-iminopropionate hydrochloride,ethyl 3-ethoxy-3-iminopropanoate hydrochloride,Cl.CCOC(=N)CC(=O)OCC,Cl.CCOC(=N)CC(=O)OCC,"InChI=1/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h8H,3-5H2,1-2H3;1H",C7H13NO3.ClH,,,,,,HYMXUYQKXCHWDC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.302,219-031-8,5/07/2321,2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid,"3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",C20H12O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8113,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.302,GNBHRKFJIUUOQI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.310,219-040-7,2326-26-3,"6a,9-difluoro-11ß,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate","6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate",CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C23H26F2O5/c1-12(26)30-11-19(28)15-5-4-14-16-9-18(24)17-8-13(27)6-7-22(17,3)23(16,25)20(29)10-21(14,15)2/h5-8,14,16,18,20,29H,4,9-11H2,1-3H3",C23H26F2O5,,,,,,YXASFOVLXBFEEU-LKVAYOKUSA-N,,,,,,,,,,,
100.017.311,219-041-2,2327-50-6,"Sodium 4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-2-undecyl-1H-imidazolium hydroxide","sodium hydroxide - 2-hydroxy-3-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl]propane-1-sulfonate (1:1)",[OH-].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)[O-],[OH-].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)[O-],"InChI=1/C19H38N2O5S.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-19-20-12-13-21(19,14-15-22)16-18(23)17-27(24,25)26;;/h18,22-23H,2-17H2,1H3;;1H2/q;+1;/p-1",C19H39N2O5S.HO.Na,,,,,,YVOKTMNWVYQDHH-UHFFFAOYSA-M,,,,,,,,,,,
100.017.312,219-042-8,2327-67-5,N-(triphenylphosphoranylidene)-p-toluidine,[(4-methylphenyl)imino](triphenyl)phosphorane,Cc1ccc(cc1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4,Cc1ccc(cc1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H22NP/c1-21-17-19-22(20-18-21)26-27(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3",C25H22NP,,,,,,LFAILBFSCZZJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.443,220-287-8,2702-33-2,"Disodium 5,5',7,7'-tetrabromo[2,2'-bi-1H-indole]-3,3'-diyl disulphate","disodium 5,5',7,7'-tetrabromo-2,2'-biindole-3,3'-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)OC1=C2C=C(Br)C=C(Br)C2=NC1=C3N=C4C(=CC(=CC4=C3OS(=O)(=O)[O-])Br)Br,[Na+].[Na+].[O-]S(=O)(=O)OC1=C2C=C(Br)C=C(Br)C2=NC1=C3N=C4C(=CC(=CC4=C3OS(=O)(=O)[O-])Br)Br,"InChI=1/C16H6Br4N2O8S2.2Na/c17-5-1-7-11(9(19)3-5)21-13(15(7)29-31(23,24)25)14-16(30-32(26,27)28)8-2-6(18)4-10(20)12(8)22-14;;/h1-4H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C16H8Br4N2O8S2.2Na,,,,,,SGYKZPZRNCWCME-UHFFFAOYSA-L,,,,,,,,,,,
100.018.446,220-290-4,2702-72-9,"Sodium 2,4-dichlorophenoxyacetate","sodium (2,4-dichlorophenoxy)acetate",[Na+].[O-]C(=O)COc1ccc(Cl)cc1Cl,[Na+].[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1",C8H6Cl2O3.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12401,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.446,RFOHRSIAXQACDB-UHFFFAOYSA-M,,,,,,,,,,,
100.018.450,220-295-1,2706-56-1,2-(2-aminoethyl)pyridine,2-pyridin-2-ylethanamine,NCCc1ccccn1,NCCc1ccccn1,"InChI=1/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2",C7H10N2,,,,,,XPQIPUZPSLAZDV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.453,220-298-8,2706-75-4,Sodium glyoxylate,sodium glyoxylate,[Na+].[O-]C(=O)C=O,[Na+].[O-]C(=O)C=O,"InChI=1/C2H2O3.Na/c3-1-2(4)5;/h1H,(H,4,5);/q;+1/p-1",C2H2O3.Na,,,,,,SOEVVANXSDKPIY-UHFFFAOYSA-M,,,,,,,,,,,
100.018.459,220-304-9,2709-56-0,Flupentixol,2-(4-{3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol,FC(F)(F)c2cc3C(=CCCN1CCN(CCO)CC1)c4ccccc4Sc3cc2,FC(F)(F)c2cc3C(=CCCN1CCN(CCO)CC1)c4ccccc4Sc3cc2,"InChI=1/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2",C23H25F3N2OS,,,,,,NJMYODHXAKYRHW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.463,220-309-6,2712-83-6,"2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-4-nitrophenyl)butyramide","2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-4-nitrophenyl)butanamide",Oc1cc(ccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[N+](=O)[O-],Oc1cc(ccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[N+](=O)[O-],"InChI=1/C10H5F7N2O4/c11-8(12,9(13,14)10(15,16)17)7(21)18-5-2-1-4(19(22)23)3-6(5)20/h1-3,20H,(H,18,21)",C10H5F7N2O4,,,,,,QKCBNLQPCASALS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.465,220-311-7,2717-15-9,"Oleic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","octadec-9-enoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C18H34O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10/h9-10H,2-8,11-17H2,1H3,(H,19,20);8-10H,1-6H2",C18H34O2.C6H15NO3,,,,,,ICLYJLBTOGPLMC-KVVVOXFISA-N,,,,,,,,,,,
100.017.416,219-156-8,3/03/2375,"Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, monosodium salt, (6a,11ß)-","sodium 4-[(11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoate",[Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H](C)\\C1=C\\C(=O)\\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,[Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H](C)\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,"InChI=1/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1",C26H34O8.Na,,,,,,FQISKWAFAHGMGT-SGJOWKDISA-M,,,,,,,,,,,
100.017.417,219-157-3,1/02/2378,Perfluoro-tert-butyl alcohol,"1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol",OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F,OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F,"InChI=1/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H",C4HF9O,,,,,,XZNOAVNRSFURIR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.427,219-168-3,2379-79-5,"2-(1-aminoanthraquinon-2-yl)anthra[2,3-d]oxazole-5,10-dione","2-(1-amino-9,10-dioxo-9,10-dihydroanthracen-2-yl)anthra[2,3-d][1,3]oxazole-5,10-dione",Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)c4oc5cc6C(=O)c7ccccc7C(=O)c6cc5n4,Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)c4oc5cc6C(=O)c7ccccc7C(=O)c6cc5n4,"InChI=1/C29H14N2O5/c30-24-18(10-9-17-23(24)28(35)16-8-4-3-7-15(16)25(17)32)29-31-21-11-19-20(12-22(21)36-29)27(34)14-6-2-1-5-13(14)26(19)33/h1-12H,30H2",C29H14N2O5,,,,,,RHEVAQGXLUQWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.428,219-169-9,2379-81-9,"N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)bis(benzamide)","N,N'-(5,10,15,17-tetraoxo-10,15,16,17-tetrahydro-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)dibenzamide",O=C(Nc1cc2c3cc(NC(=O)c4ccccc4)c5C(=O)c6ccccc6C(=O)c5c3[nH]c2c7C(=O)c8ccccc8C(=O)c17)c9ccccc9,O=C(Nc1cc2c3cc(NC(=O)c4ccccc4)c5C(=O)c6ccccc6C(=O)c5c3[nH]c2c7C(=O)c8ccccc8C(=O)c17)c9ccccc9,"InChI=1/C42H23N3O6/c46-37-23-15-7-9-17-25(23)39(48)33-31(37)29(43-41(50)21-11-3-1-4-12-21)19-27-28-20-30(44-42(51)22-13-5-2-6-14-22)32-34(36(28)45-35(27)33)40(49)26-18-10-8-16-24(26)38(32)47/h1-20,45H,(H,43,50)(H,44,51)",C42H23N3O6,,,,,,OXEFCDNMUKTKDV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.436,219-178-8,2381-21-7,1-methylpyrene,1-methylpyrene,Cc1ccc2ccc3cccc4ccc1c2c34,Cc1ccc2ccc3cccc4ccc1c2c34,"InChI=1/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3",C17H12,,,,,,KBSPJIWZDWBDGM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.437,219-179-3,2381-39-7,6-methylbenzo[def]chrysene,6-methylbenzo[pqr]tetraphene,Cc1c2ccccc2c3ccc4cccc5ccc1c3c45,Cc1c2ccccc2c3ccc4cccc5ccc1c3c45,"InChI=1/C21H14/c1-13-16-7-2-3-8-18(16)19-12-10-15-6-4-5-14-9-11-17(13)21(19)20(14)15/h2-12H,1H3",C21H14,,,,,,YFYHJNJCAGHSFA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.884,221-872-0,3263-47-6,"1,5-dihydroxy-4-[m-(1-hydroxyethyl)anilino]-8-nitroanthraquinone","1,5-dihydroxy-4-{[3-(1-hydroxyethyl)phenyl]amino}-8-nitro-9,10-anthraquinone",CC(O)c1cccc(Nc2ccc(O)c3C(=O)c4c(C(=O)c23)c(O)ccc4[N+](=O)[O-])c1,CC(O)c1cccc(Nc2ccc(O)c3C(=O)c4c(C(=O)c23)c(O)ccc4[N+](=O)[O-])c1,"InChI=1/C22H16N2O7/c1-10(25)11-3-2-4-12(9-11)23-13-5-7-15(26)19-17(13)21(28)20-16(27)8-6-14(24(30)31)18(20)22(19)29/h2-10,23,25-27H,1H3",C22H16N2O7,,,,,,NJAPNCQWPKMTGE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.890,221-878-3,3267-76-3,Cobalt succinate,cobalt(2+) succinate,[Co+2].[O-]C(=O)CCC(=O)[O-],[Co+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Co/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.Co,,,,,,XENHXPKUQLUHCZ-UHFFFAOYSA-L,,,,,,,,,,,
100.019.891,221-879-9,3267-78-5,Tripropyltin acetate,tripropylstannanylium acetate,CCC[Sn+](CCC)CCC.CC(=O)[O-],CCC[Sn+](CCC)CCC.CC(=O)[O-],"InChI=1/3C3H7.C2H4O2.Sn/c3*1-3-2;1-2(3)4;/h3*1,3H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1/rC9H21Sn.C2H4O2/c1-4-7-10(8-5-2)9-6-3;1-2(3)4/h4-9H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C11H24O2Sn,,,,,,LSBFRYCHYLHPSU-UHFFFAOYSA-M,,,,,,,,,,,
100.017.348,219-082-6,2350-89-2,p-vinylbiphenyl,4-vinylbiphenyl,C=Cc1ccc(cc1)c2ccccc2,C=Cc1ccc(cc1)c2ccccc2,"InChI=1/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2",C14H12,,,,,,HDBWAWNLGGMZRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.351,219-085-2,2351-37-3,"[1,1'-biphenyl]-4,4'-dicarbonyl dichloride","biphenyl-4,4'-dicarbonyl dichloride",ClC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)Cl,ClC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)Cl,InChI=1/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H,C14H8Cl2O2,,,,,,QDBOAKPEXMMQFO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.355,219-089-4,2353-33-5,"4-amino-1-(2-deoxy-ß-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one","4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one",NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2,NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2,"InChI=1/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)",C8H12N4O4,,,,,,XAUDJQYHKZQPEU-KVQBGUIXSA-N,,,,,,,,,,,
100.017.367,219-102-3,2359-15-1,"N,N'-methylenebis[methacrylamide]","N,N'-methylenebis(2-methylacrylamide)",CC(=C)C(=O)NCNC(=O)C(=C)C,CC(=C)C(=O)NCNC(=O)C(=C)C,"InChI=1/C9H14N2O2/c1-6(2)8(12)10-5-11-9(13)7(3)4/h1,3,5H2,2,4H3,(H,10,12)(H,11,13)",C9H14N2O2,,,,,,TURITJIWSQEMDB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.369,219-104-4,2359-51-5,2-(4-amino-N-ethyl-m-toluidino)ethanol,2-[(4-amino-3-methylphenyl)(ethyl)amino]ethanol,CCN(CCO)c1ccc(N)c(C)c1,CCN(CCO)c1ccc(N)c(C)c1,"InChI=1/C11H18N2O/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10/h4-5,8,14H,3,6-7,12H2,1-2H3",C11H18N2O,,,,,,QTLHLXYADXCVCF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.374,219-110-7,2362-14-3,"4,4'-cyclohexylidenedi-o-cresol","4,4'-cyclohexane-1,1-diylbis(2-methylphenol)",Cc1cc(ccc1O)C2(CCCCC2)c3ccc(O)c(C)c3,Cc1cc(ccc1O)C2(CCCCC2)c3ccc(O)c(C)c3,"InChI=1/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3",C20H24O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11983,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.374,SVOBELCYOCEECO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.878,220-765-6,2/05/2893,3-methyl-1-phenylbutan-2-one,3-methyl-1-phenylbutan-2-one,CC(C)C(=O)Cc1ccccc1,CC(C)C(=O)Cc1ccccc1,"InChI=1/C11H14O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C11H14O,,,,,,ZATIMOAGKJEVGN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.880,220-767-7,"2893-78-9, 51580-86-0",Troclosene sodium,"sodium 3,5-dichloro-2,4,6-trioxo-1,3,5-triazinan-1-ide",[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O,[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O,"InChI=1/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1",C3HCl2N3O3.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14822,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.880,MSFGZHUJTJBYFA-UHFFFAOYSA-M,,,,,,,,,,,
100.018.882,220-769-8,2894-45-3,2-amino-2'-chlorobenzophenone,(2-aminophenyl)(2-chlorophenyl)methanone,Nc1ccccc1C(=O)c2ccccc2Cl,Nc1ccccc1C(=O)c2ccccc2Cl,"InChI=1/C13H10ClNO/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H,15H2",C13H10ClNO,,,,,,PKSVTEMCGNQIMD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.886,220-774-5,2895-07-0,"1,1,1,3,3,5,5-heptamethyltrisiloxane","1,1,1,3,3,5,5-heptamethyltrisiloxane",C[SiH](C)O[Si](C)(C)O[Si](C)(C)C,C[SiH](C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C7H22O2Si3/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,1-7H3",C7H22O2Si3,,,,,,MWYMHZINPCTWSB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.890,220-778-7,2896-70-0,"2,2,6,6-tetramethyl-4-oxopiperidinooxy","1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one",CC1(C)CC(=O)CC(C)(C)N1O,CC1(C)CC(=O)CC(C)(C)N1O,"InChI=1/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3",C9H16NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11702,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.890,KMEUSKGEUADGET-UHFFFAOYSA-N,,,,,,,,,,,
100.018.895,220-783-4,6/12/2898,Medazepam,"7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine",CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13,CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3",C16H15ClN2,,,,,,YLCXGBZIZBEVPZ-UHFFFAOYSA-N,Positive,EQ302201|EQ302202|EQ302203|EQ302204|EQ302205|EQ302206,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,271.0997:242.0733:180.0449|271.0996:242.0731:180.0448|271.0996:91.0542:242.0731|91.0542:207.1043:271.0996|91.0542:207.1043:165.0214|91.0542:207.1043:165.0214,Eawag,,,,,
100.038.664,242-548-5,18738-93-7,5-allyl-2-phenoxyanisole,4-allyl-2-methoxy-1-phenoxybenzene,COc1cc(CC=C)ccc1Oc2ccccc2,COc1cc(CC=C)ccc1Oc2ccccc2,"InChI=1/C16H16O2/c1-3-7-13-10-11-15(16(12-13)17-2)18-14-8-5-4-6-9-14/h3-6,8-12H,1,7H2,2H3",C16H16O2,,,,,,JXCFPQRFQYEEGF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.672,242-556-9,18760-44-6,"3-(decyloxy)tetrahydrothiophene 1,1-dioxide","3-(decyloxy)tetrahydrothiophene 1,1-dioxide",CCCCCCCCCCOC1CCS(=O)(=O)C1,CCCCCCCCCCOC1CCS(=O)(=O)C1,"InChI=1/C14H28O3S/c1-2-3-4-5-6-7-8-9-11-17-14-10-12-18(15,16)13-14/h14H,2-13H2,1H3",C14H28O3S,,,,,,ZMLKENVAWQJBIR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.680,242-565-8,18779-07-2,Dysprosium(3+) acetate,dysprosium triacetate,[Dy+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Dy+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Dy/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Dy,,,,,,HKCSKROOVZMKSO-UHFFFAOYSA-K,,,,,,,,,,,
100.038.682,242-567-9,18780-67-1,"4-(ethoxycarbonyl)oxy-3,5-dimethoxybenzoic acid","4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoic acid",CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O,CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O,"InChI=1/C12H14O7/c1-4-18-12(15)19-10-8(16-2)5-7(11(13)14)6-9(10)17-3/h5-6H,4H2,1-3H3,(H,13,14)",C12H14O7,,,,,,KSIOSIYBQLJZIW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.684,242-570-5,18786-24-8,Serpentine (alkaloid),"methyl 19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium-16-carboxylate",COC(=O)C1=COC(C)C2C[n+]3ccc4c5ccccc5[nH]c4c3CC12,COC(=O)C1=COC(C)C2C[n+]3ccc4c5ccccc5[nH]c4c3CC12,"InChI=1/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1",C21H21N2O3,,,,,,WYTGDNHDOZPMIW-UHFFFAOYSA-O,,,,,,,,,,,
100.038.692,242-578-9,18794-74-6,"1,3-bis(octadecyloxy)propan-2-ol","1,3-bis(octadecyloxy)propan-2-ol",CCCCCCCCCCCCCCCCCCOCC(O)COCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOCC(O)COCCCCCCCCCCCCCCCCCC,"InChI=1/C39H80O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-37-39(40)38-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38H2,1-2H3",C39H80O3,,,,,,OCBCKLNPFLODGO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.169,245-303-0,22889-65-2,Sodium octyldithiocarbamate,sodium octyldithiocarbamate,[Na+].CCCCCCCCNC(=S)[S-],[Na+].CCCCCCCCNC(=S)[S-],"InChI=1/C9H19NS2.Na/c1-2-3-4-5-6-7-8-10-9(11)12;/h2-8H2,1H3,(H2,10,11,12);/q;+1/p-1",C9H19NS2.Na,,,,,,QXZYTWXGHQLQRM-UHFFFAOYSA-M,,,,,,,,,,,
100.041.174,245-308-8,22890-18-2,Trimethyl-3-[(1-oxooctadecyl)amino]propylammonium chloride,"N,N,N-trimethyl-3-(stearoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C,"InChI=1/C24H50N2O.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;/h5-23H2,1-4H3;1H",C24H51N2O.Cl,,,,,,MBNPWFXZGJXGFP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.176,245-310-9,22892-96-2,4-chloro-3-nitro-5-sulphamoylbenzoic acid,4-chloro-3-nitro-5-sulfamoylbenzoic acid,NS(=O)(=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(=O)O,NS(=O)(=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(=O)O,"InChI=1/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)",C7H5ClN2O6S,,,,,,ACYLUAGCBGTEJF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.184,245-319-8,22913-02-6,tert-butyl nonaneperoxoate,tert-butyl nonaneperoxoate,CCCCCCCCC(=O)OOC(C)(C)C,CCCCCCCCC(=O)OOC(C)(C)C,"InChI=1/C13H26O3/c1-5-6-7-8-9-10-11-12(14)15-16-13(2,3)4/h5-11H2,1-4H3",C13H26O3,,,,,,YSMATABRECEYRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.188,245-324-5,22916-47-8,Miconazole,"1-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole",Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1,Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1,"InChI=1/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2",C18H14Cl4N2O,,,,,,BYBLEWFAAKGYCD-UHFFFAOYSA-N,Positive,mzcloud:1804,[M+H]+,HCD_Averaged,158.9763:132.96063:124.0074:123.9996:98.99960:89.0386:72.9840:63.02293:69.04472:69.9840,HighChem,,,,,
100.041.190,245-326-6,22919-28-4,"1,2-dihydrophthalic acid","cyclohexa-3,5-diene-1,2-dicarboxylic acid",OC(=O)C1C=CC=CC1C(=O)O,OC(=O)C1C=CC=CC1C(=O)O,"InChI=1/C8H8O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)",C8H8O4,,,,,,OYUWHGGWLCJJNP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.193,245-329-2,22921-68-2,2-bromo-5-methoxybenzoic acid,2-bromo-5-methoxybenzoic acid,COc1ccc(Br)c(c1)C(=O)O,COc1ccc(Br)c(c1)C(=O)O,"InChI=1/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)",C8H7BrO3,,,,,,ODHJOROUCITYNF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.204,245-341-8,22940-59-6,4-benzoyl-4-phenyl-1-(p-tolylsulphonyl)piperidine,{1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidin-4-yl}(phenyl)methanone,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C(=O)c3ccccc3)c4ccccc4,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C(=O)c3ccccc3)c4ccccc4,"InChI=1/C25H25NO3S/c1-20-12-14-23(15-13-20)30(28,29)26-18-16-25(17-19-26,22-10-6-3-7-11-22)24(27)21-8-4-2-5-9-21/h2-15H,16-19H2,1H3",C25H25NO3S,,,,,,NYVUCHSRPCGTTA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.209,245-347-0,22948-94-3,1-acetyl-1H-indole-3-carbaldehyde,1-acetyl-1H-indole-3-carbaldehyde,CC(=O)n1cc(C=O)c2ccccc12,CC(=O)n1cc(C=O)c2ccccc12,"InChI=1/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3",C11H9NO2,,,,,,LCJLFGSKHBDOAY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.320,219-051-7,2338-21-8,Trimethyl(1-methyl-2-phenothiazin-10-ylethyl)ammonium,"N,N,N-trimethyl-1-(10H-phenothiazin-10-yl)propan-2-aminium",CC(CN1c2ccccc2Sc3ccccc13)[N+](C)(C)C,CC(CN1c2ccccc2Sc3ccccc13)[N+](C)(C)C,"InChI=1/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1",C18H23N2S,,,,,,CDXCCYNINPIWGE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.322,219-053-8,2338-76-3,3-(trifluoromethyl)phenylacetonitrile,[3-(trifluoromethyl)phenyl]acetonitrile,FC(F)(F)c1cccc(CC#N)c1,FC(F)(F)c1cccc(CC#N)c1,"InChI=1/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2",C9H6F3N,,,,,,JOIYKSLWXLFGGR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.325,219-056-4,2344-71-0,5-phenylpentan-2-ol,5-phenylpentan-2-ol,CC(O)CCCc1ccccc1,CC(O)CCCc1ccccc1,"InChI=1/C11H16O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3",C11H16O,,,,,,ZFVFQRLBTBBQSK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.331,219-063-2,2345-27-9,Tetradecan-2-one,tetradecan-2-one,CCCCCCCCCCCCC(=O)C,CCCCCCCCCCCCC(=O)C,"InChI=1/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3",C14H28O,,,,,,POQLVOYRGNFGRM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.340,219-073-7,2347-72-0,Disodium 6-hydroxy-5-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 6-hydroxy-5-[(3-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O,"InChI=1/C16H12N2O7S2.2Na/c19-15-7-4-10-8-13(27(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H12N2O7S2.2Na,,,,,,CECHAJXICNIUQL-UHFFFAOYSA-L,,,,,,,,,,,
100.017.342,219-075-8,7/07/2349,Hexyl isobutyrate,hexyl 2-methylpropanoate,CCCCCCOC(=O)C(C)C,CCCCCCOC(=O)C(C)C,"InChI=1/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3",C10H20O2,,,,,,CYHBDKTZDLSRMY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.346,219-080-5,2349-71-5,2-isopropylhydroquinone,"2-isopropylbenzene-1,4-diol",CC(C)c1cc(O)ccc1O,CC(C)c1cc(O)ccc1O,"InChI=1/C9H12O2/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,10-11H,1-2H3",C9H12O2,,,,,,HIGSPBFIOSHWQG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.713,224-983-2,4593-16-2,1-acetyl-3-methylpiperidine,1-acetyl-3-methylpiperidine,CC1CCCN(C1)C(=O)C,CC1CCCN(C1)C(=O)C,"InChI=1/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3",C8H15NO,,,,,,XKFPNHDGLSYZRC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.714,224-984-8,4593-17-3,1-acetyl-4-methylpiperidine,1-acetyl-4-methylpiperidine,CC1CCN(CC1)C(=O)C,CC1CCN(CC1)C(=O)C,"InChI=1/C8H15NO/c1-7-3-5-9(6-4-7)8(2)10/h7H,3-6H2,1-2H3",C8H15NO,,,,,,DWPMJTVAEDBIES-UHFFFAOYSA-N,,,,,,,,,,,
100.022.717,224-987-4,4593-90-2,3-phenylbutyric acid,3-phenylbutanoic acid,CC(CC(=O)O)c1ccccc1,CC(CC(=O)O)c1ccccc1,"InChI=1/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)",C10H12O2,,,,,,ZZEWMYILWXCRHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.720,224-991-6,4594-78-9,2-oxocyclohexanepropiononitrile,3-(2-oxocyclohexyl)propanenitrile,O=C1CCCCC1CCC#N,O=C1CCCCC1CCC#N,"InChI=1/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2",C9H13NO,,,,,,SPTVCXKSSRBTMN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.724,224-995-8,4596-16-1,"17-hydroxypregn-4-ene-3,20-dione 17-heptanoate","3,20-dioxopregn-4-en-17-yl heptanoate",CCCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CCCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C28H42O4/c1-5-6-7-8-9-25(31)32-28(19(2)29)17-14-24-22-11-10-20-18-21(30)12-15-26(20,3)23(22)13-16-27(24,28)4/h18,22-24H,5-17H2,1-4H3",C28H42O4,,,,,,NKJYZYWCGKSMSV-BDPSOKNUSA-N,,,,,,,,,,,
100.022.726,224-997-9,4597-87-9,2-(methylamino)pyridine,N-methylpyridin-2-amine,CNc1ccccn1,CNc1ccccn1,"InChI=1/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)",C6H8N2,,,,,,SVEUVITYHIHZQE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.728,225-001-5,4598-67-8,3ß-hydroxypregn-5-en-20-one 3-(hydrogen succinate),4-oxo-4-[(20-oxopregn-5-en-3-yl)oxy]butanoic acid,CC(=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)O,CC(=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)O,"InChI=1/C25H36O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h4,17-21H,5-14H2,1-3H3,(H,27,28)",C25H36O5,,,,,,OZZAYJQNMKMUSD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.733,225-006-2,4604-49-3,5-methyl-5-nitrohexan-2-one,5-methyl-5-nitrohexan-2-one,CC(=O)CCC(C)(C)[N+](=O)[O-],CC(=O)CCC(C)(C)[N+](=O)[O-],"InChI=1/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3",C7H13NO3,,,,,,QWHNMIXUSPUHGO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.739,225-013-0,4606-65-9,Piperidin-3-ylmethanol,piperidin-3-ylmethanol,OCC1CCCNC1,OCC1CCCNC1,"InChI=1/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2",C6H13NO,,,,,,VUNPWIPIOOMCPT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.438,219-180-9,2381-45-5,3-hydroxy-20-oxo-5-pregnen-17a-yl acetate,3-hydroxy-20-oxopregn-5-en-17-yl acetate,CC(=O)O[C@]1(CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@]1(CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C23H34O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3",C23H34O4,,,,,,KRBMZSYRIJAAMS-ZMQCHCKPSA-N,,,,,,,,,,,
100.017.439,219-181-4,2381-85-3,5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium chloride,5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium chloride,[Cl-].CCN(CC)c1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1,[Cl-].CCN(CC)c1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1,"InChI=1/C20H20N3O.ClH/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;/h5-12H,3-4,21H2,1-2H3;1H/q+1;/p-1",C20H20N3O.Cl,,,,,,XJCPMUIIBDVFDM-UHFFFAOYSA-M,,,,,,,,,,,
100.017.445,219-188-2,2382-76-5,Pentyl dihydrogen phosphate,pentyl dihydrogen phosphate,CCCCCOP(=O)(O)O,CCCCCOP(=O)(O)O,"InChI=1/C5H13O4P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)",C5H13O4P,,,,,,NVTPMUHPCAUGCB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.448,219-191-9,2382-96-9,Benzoxazole-2-thiol,"1,3-benzoxazole-2-thiol",Sc1oc2ccccc2n1,Sc1oc2ccccc2n1,"InChI=1/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)",C7H5NOS,,,,,,FLFWJIBUZQARMD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.450,219-194-5,2385-77-5,"(R)-3,7-dimethyloct-6-enal","3,7-dimethyloct-6-enal",C[C@H](CCC=C(C)C)CC=O,C[C@H](CCC=C(C)C)CC=O,"InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3",C10H18O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6336,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.450,NEHNMFOYXAPHSD-SNVBAGLBSA-N,,,,,,,,,,,
100.017.453,219-197-1,2386-25-6,"2,4-dimethylpyrrol-3-yl methyl ketone","1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone",CC(=O)c1c(C)c[nH]c1C,CC(=O)c1c(C)c[nH]c1C,"InChI=1/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3",C8H11NO,,,,,,VGZCKCJMYREIKA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.456,219-200-6,2386-53-0,Sodium dodecane-1-sulphonate,sodium dodecane-1-sulfonate,[Na+].CCCCCCCCCCCCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCS(=O)(=O)[O-],"InChI=1/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",C12H26O3S.Na,,,,,,DAJSVUQLFFJUSX-UHFFFAOYSA-M,,,,,,,,,,,
100.017.458,219-202-7,2386-56-3,Potassium methanesulphonate,potassium methanesulfonate,[K+].CS(=O)(=O)[O-],[K+].CS(=O)(=O)[O-],"InChI=1/CH4O3S.K/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",CH4O3S.K,,,,,,XWIJIXWOZCRYEL-UHFFFAOYSA-M,,,,,,,,,,,
100.017.459,219-203-2,2386-57-4,Sodium methanesulphonate,sodium methanesulfonate,[Na+].CS(=O)(=O)[O-],[Na+].CS(=O)(=O)[O-],"InChI=1/CH4O3S.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",CH4O3S.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18607,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.459,KKVTYAVXTDIPAP-UHFFFAOYSA-M,,,,,,,,,,,
100.021.454,223-598-7,3972-56-3,4-tert-butyl-1-chlorobenzene,1-tert-butyl-4-chlorobenzene,CC(C)(C)c1ccc(Cl)cc1,CC(C)(C)c1ccc(Cl)cc1,"InChI=1/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3",C10H13Cl,,,,,,XRTANKYQJQXSFP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.455,223-599-2,3972-65-4,"1-bromo-4-(1,1-dimethylethyl)benzene",1-bromo-4-tert-butylbenzene,CC(C)(C)c1ccc(Br)cc1,CC(C)(C)c1ccc(Br)cc1,"InChI=1/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3",C10H13Br,,,,,,XHCAGOVGSDHHNP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.460,223-604-8,3974-99-0,Isopropyl trichloroacetate,isopropyl trichloroacetate,CC(C)OC(=O)C(Cl)(Cl)Cl,CC(C)OC(=O)C(Cl)(Cl)Cl,"InChI=1/C5H7Cl3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3",C5H7Cl3O2,,,,,,JYXIYFNAIFVCAN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.461,223-605-3,8/10/3975,"1,1,6,6-tetraethoxyhexa-2,4-diene","1,1,6,6-tetraethoxyhexa-2,4-diene",CCOC(C=CC=CC(OCC)OCC)OCC,CCOC(C=CC=CC(OCC)OCC)OCC,"InChI=1/C14H26O4/c1-5-15-13(16-6-2)11-9-10-12-14(17-7-3)18-8-4/h9-14H,5-8H2,1-4H3",C14H26O4,,,,,,ACPZXXNPYPSAKR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.462,223-606-9,3975-14-2,"1,1,2,2-tetraethoxyethane","1,1,2,2-tetraethoxyethane",CCOC(OCC)C(OCC)OCC,CCOC(OCC)C(OCC)OCC,"InChI=1/C10H22O4/c1-5-11-9(12-6-2)10(13-7-3)14-8-4/h9-10H,5-8H2,1-4H3",C10H22O4,,,,,,OKFWKSARFIIDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.468,223-613-7,3978-80-1,N-[(tert-butoxy)carbonyl]-L-tyrosine,N-(tert-butoxycarbonyl)-L-tyrosine,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,"InChI=1/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)",C14H19NO5,,,,,,CNBUSIJNWNXLQQ-NSHDSACASA-N,,,,,,,,,,,
100.021.472,223-617-9,3981-39-3,"2,5-dioxooxazolidine-4-propionic acid","3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoic acid",OC(=O)CCC1NC(=O)OC1=O,OC(=O)CCC1NC(=O)OC1=O,"InChI=1/C6H7NO5/c8-4(9)2-1-3-5(10)12-6(11)7-3/h3H,1-2H2,(H,7,11)(H,8,9)",C6H7NO5,,,,,,HREIIWNNSVGCED-UHFFFAOYSA-N,,,,,,,,,,,
100.021.474,223-620-5,3982-82-9,"1,3,3,5-tetramethyl-1,1,5,5-tetraphenyltrisiloxane","1,3,3,5-tetramethyl-1,1,5,5-tetraphenyltrisiloxane",C[Si](C)(O[Si](C)(c1ccccc1)c2ccccc2)O[Si](C)(c3ccccc3)c4ccccc4,C[Si](C)(O[Si](C)(c1ccccc1)c2ccccc2)O[Si](C)(c3ccccc3)c4ccccc4,"InChI=1/C28H32O2Si3/c1-31(2,29-32(3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30-33(4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,1-4H3",C28H32O2Si3,,,,,,YFCVAZGXPLMNDG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.885,218-573-2,2185-87-7,"[4-[[4-(dimethylamino)phenyl][4-toluidino-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-[4-([4-(dimethylamino)phenyl]{2-[(4-methylphenyl)amino]-1-naphthyl}methylene)cyclohexa-2,5-dien-1-ylidene]-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(Nc4ccc(C)cc4)ccc5ccccc35,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(Nc4ccc(C)cc4)ccc5ccccc35,"InChI=1/C34H33N3.ClH/c1-24-10-17-28(18-11-24)35-32-23-16-25-8-6-7-9-31(25)34(32)33(26-12-19-29(20-13-26)36(2)3)27-14-21-30(22-15-27)37(4)5;/h6-23H,1-5H3;1H",C34H34N3.Cl,,,,,,HJSOFCVADRYENQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.892,218-581-6,2189-26-6,N-glycyl-DL-tryptophan,glycyl-L-tryptophan,NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)",C13H15N3O3,,,,,,AJHCSUXXECOXOY-NSHDSACASA-N,,,,,,,,,,,
100.016.893,218-582-1,2189-60-8,Octylbenzene,octylbenzene,CCCCCCCCc1ccccc1,CCCCCCCCc1ccccc1,"InChI=1/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3",C14H22,,,,,,CDKDZKXSXLNROY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.898,218-587-9,2192-21-4,2'-[2-(diethylamino)ethoxy]-3-phenylpropiophenone hydrochloride,1-{2-[2-(diethylamino)ethoxy]phenyl}-3-phenylpropan-1-one hydrochloride,Cl.CCN(CC)CCOc1ccccc1C(=O)CCc2ccccc2,Cl.CCN(CC)CCOc1ccccc1C(=O)CCc2ccccc2,"InChI=1/C21H27NO2.ClH/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18;/h5-13H,3-4,14-17H2,1-2H3;1H",C21H27NO2.ClH,,,,,,BYWIEEUABBZFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.903,218-593-1,5/01/2197,3-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]benzothiazolium iodide,"3-ethyl-2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4ccccc4sc3C=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4sc3C=C2Sc1ccccc1N2CC,"InChI=1/C19H19N2S2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1",C19H19N2S2.I,,,,,,XWUVSDMFUQTKQC-UHFFFAOYSA-M,,,,,,,,,,,
100.016.904,218-594-7,2197-63-9,Dihexadecyl hydrogen phosphate,dihexadecyl hydrogen phosphate,CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC,"InChI=1/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)",C32H67O4P,,,,,,RNPXCFINMKSQPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.907,218-597-3,2198-54-1,"N-(3,4-dimethylphenyl)acetamide","N-(3,4-dimethylphenyl)acetamide",CC(=O)Nc1ccc(C)c(C)c1,CC(=O)Nc1ccc(C)c(C)c1,"InChI=1/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)",C10H13NO,,,,,,UAOIEEWQVAXCFY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.908,218-598-9,2198-58-5,"N,N-diethylbenzene-p-diamine monohydrochloride","N,N-diethylbenzene-1,4-diamine",CCN(CC)c1ccc(N)cc1,CCN(CC)c1ccc(N)cc1,"InChI=1/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3",C10H16N2.ClH,,,,,,QNGVNLMMEQUVQK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.911,218-601-3,2198-64-3,N-benzoylalanine,N-benzoylalanine,CC(NC(=O)c1ccccc1)C(=O)O,CC(NC(=O)c1ccccc1)C(=O)O,"InChI=1/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)",C10H11NO3,,,,,,UAQVHNZEONHPQG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.915,218-606-0,2199-69-1,o-dichloro(2H4)benzene,"1,2-dichlorobenzene",Clc1ccccc1Cl,Clc1ccccc1Cl,InChI=1/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H,C6Cl2D4,,,,,,RFFLAFLAYFXFSW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.920,218-611-8,2/01/2203,N-[2-[N-ethyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]-m-toluidino]ethyl]phthalimide,"2-{2-[ethyl(3-methyl-4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl)amino]ethyl}-1H-isoindole-1,3(2H)-dione",O=C5c1ccccc1C(=O)N5CCN(CC)c4ccc(N=Nc2nc3ccc(cc3s2)S(C)(=O)=O)c(C)c4,O=C5c1ccccc1C(=O)N5CCN(CC)c4ccc(N=Nc2nc3ccc(cc3s2)S(C)(=O)=O)c(C)c4,"InChI=1/C27H25N5O4S2/c1-4-31(13-14-32-25(33)20-7-5-6-8-21(20)26(32)34)18-9-11-22(17(2)15-18)29-30-27-28-23-12-10-19(38(3,35)36)16-24(23)37-27/h5-12,15-16H,4,13-14H2,1-3H3",C27H25N5O4S2,,,,,,YBURDRPVRFXIBD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.922,218-613-9,2205-31-4,1-(2-chloroethyl)hexahydro-1H-azepine,1-(2-chloroethyl)azepane,ClCCN1CCCCCC1,ClCCN1CCCCCC1,InChI=1/C8H16ClN/c9-5-8-10-6-3-1-2-4-7-10/h1-8H2,C8H16ClN,,,,,,FEZWHSLWYVTEDN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.923,218-614-4,2205-73-4,Tiomesterone,"S,S'-(17-hydroxy-17-methyl-3-oxoandrost-4-ene-1,7-diyl) diethanethioate",CC(=O)S[C@@H]1CC2=CC(=O)C[C@H](SC(=O)C)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@H]13,CC(=O)S[C@@H]1CC2=CC(=O)C[C@H](SC(=O)C)[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@H]13,"InChI=1/C24H34O4S2/c1-13(25)29-19-11-15-10-16(27)12-20(30-14(2)26)24(15,5)18-6-8-22(3)17(21(18)19)7-9-23(22,4)28/h10,17-21,28H,6-9,11-12H2,1-5H3",C24H34O4S2,,,,,,YUOZKOLALXNELS-SQVYRKCQSA-N,,,,,,,,,,,
100.016.929,218-621-2,4/01/2207,"cis-1,2-dimethylcyclohexane","1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@@H]1C,C[C@@H]1CCCC[C@@H]1C,"InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3",C8H16,,,,,,KVZJLSYJROEPSQ-OCAPTIKFSA-N,,,,,,,,,,,
100.016.930,218-622-8,7/04/2207,"trans-1,4-dimethylcyclohexane","1,4-dimethylcyclohexane",C[C@@H]1CC[C@@H](C)CC1,C[C@@H]1CC[C@@H](C)CC1,"InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3",C8H16,,,,,,QRMPKOFEUHIBNM-ZKCHVHJHSA-N,,,,,,,,,,,
100.020.306,222-335-3,3434-88-6,"Estra-1,3,5(10)-triene-3,17ß-diol diacetate","estra-1,3,5(10)-triene-3,17-diyl diacetate",CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]12C,CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]12C,"InChI=1/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3",C22H28O4,,,,,,VQHQLBARMFAKSV-AANPDWTMSA-N,,,,,,,,,,,
100.041.211,245-349-1,22952-87-0,"(5a,6ß)-6-azido-4,5-epoxy-17-methylmorphinan-3-ol","6-azido-17-methyl-4,5-epoxymorphinan-3-ol",CN1CC[C@@]23[C@H]4CC[C@@H](N=[N+]=[N-])[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,CN1CC[C@@]23[C@H]4CC[C@@H](N=[N+]=[N-])[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,"InChI=1/C17H20N4O2/c1-21-7-6-17-10-3-4-11(19-20-18)16(17)23-15-13(22)5-2-9(14(15)17)8-12(10)21/h2,5,10-12,16,22H,3-4,6-8H2,1H3",C17H20N4O2,,,,,,KZOKOEQTKWBKOK-XHQKLZHNSA-N,,,,,,,,,,,
100.041.212,245-350-7,22955-73-3,Dimethyl 4-methoxyisophthalate,dimethyl 4-methoxyisophthalate,COC(=O)c1ccc(OC)c(c1)C(=O)OC,COC(=O)c1ccc(OC)c(c1)C(=O)OC,"InChI=1/C11H12O5/c1-14-9-5-4-7(10(12)15-2)6-8(9)11(13)16-3/h4-6H,1-3H3",C11H12O5,,,,,,VYLTWLWJTAJDSS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.137,221-050-1,2986-00-7,3-acetyl-3-chlorodihydrofuran-2(3H)-one,3-acetyl-3-chlorodihydrofuran-2(3H)-one,CC(=O)C1(Cl)CCOC1=O,CC(=O)C1(Cl)CCOC1=O,"InChI=1/C6H7ClO3/c1-4(8)6(7)2-3-10-5(6)9/h2-3H2,1H3",C6H7ClO3,,,,,,CYCRRRIREKXQTK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.138,221-051-7,2986-17-6,"1,3-diisopropyl-2-thiourea","1,3-diisopropylthiourea",CC(C)NC(=S)NC(C)C,CC(C)NC(=S)NC(C)C,"InChI=1/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)",C7H16N2S,,,,,,KREOCUNMMFZOOS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.139,221-052-2,2986-50-7,Cyclododecyl isobutyl ether,cyclododecyl isobutyl ether,CC(C)COC1CCCCCCCCCCC1,CC(C)COC1CCCCCCCCCCC1,"InChI=1/C16H32O/c1-15(2)14-17-16-12-10-8-6-4-3-5-7-9-11-13-16/h15-16H,3-14H2,1-2H3",C16H32O,,,,,,ZKLBAFOZTKRQFK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.140,221-053-8,2986-54-1,Methoxycyclododecane,cyclododecyl methyl ether,COC1CCCCCCCCCCC1,COC1CCCCCCCCCCC1,"InChI=1/C13H26O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2,1H3",C13H26O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18537,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.140,WDSOYUINLRIGNV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.145,221-059-0,2990-19-4,Calcium oxoacetate,calcium bis(oxoacetate),[Ca+2].[O-]C(=O)C=O.[O-]C(=O)C=O,[Ca+2].[O-]C(=O)C=O.[O-]C(=O)C=O,"InChI=1/2C2H2O3.Ca/c2*3-1-2(4)5;/h2*1H,(H,4,5);/q;;+2/p-2",C2H2O3.1/2Ca,,,,,,JIOBOQOAYFOKLJ-UHFFFAOYSA-L,,,,,,,,,,,
100.019.147,221-061-1,2991-50-6,N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine,N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]glycine,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)",C12H8F17NO4S,,,,,,CKRXVVGETMYFIO-UHFFFAOYSA-N,Negative,,,,,,EA292151|EA292153|EA292158|EA292159|EA292160,[M-H]-,CID35|HCD30|HCD15|HCD30|HCD45,418.9727:482.9347:525.9766|218.9856:168.9896|525.9781|218.9856:168.9894:268.9818|168.989,Eawag
100.019.164,221-080-5,3001-15-8,"4,4'-diiodobiphenyl","4,4'-diiodobiphenyl",Ic1ccc(cc1)c2ccc(I)cc2,Ic1ccc(cc1)c2ccc(I)cc2,InChI=1/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,C12H8I2,,,,,,GPYDMVZCPRONLW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.172,221-088-9,3001-98-7,"3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide","3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide",CP1(=O)OCC2(COP(=O)(C)OC2)CO1,CP1(=O)OCC2(COP(=O)(C)OC2)CO1,"InChI=1/C7H14O6P2/c1-14(8)10-3-7(4-11-14)5-12-15(2,9)13-6-7/h3-6H2,1-2H3",C7H14O6P2,,,,,,ACRCGKKNPOZIPG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.174,221-091-5,3002-20-8,Nitrilotriethylene trilaurate,"dodecanoic acid - N,N-divinylethenamine (3:1)",CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.C=CN(C=C)C=C,CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.C=CN(C=C)C=C,"InChI=1/3C12H24O2.C6H9N/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7(5-2)6-3/h3*2-11H2,1H3,(H,13,14);4-6H,1-3H2",C42H81NO6,,,,,,VUHOWROGPLLHQS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.178,221-095-7,3002-52-6,"Lanthanum(3+) 2-hydroxypropane-1,2,3-tricarboxylate",lanthanum citrate,[La+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[La+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.La/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",C6H8O7.La,,,,,,NCOYDQIWSSMOEW-UHFFFAOYSA-K,,,,,,,,,,,
100.019.183,221-100-2,3002-81-1,"5,6-dimethyl-1,10-phenanthroline","5,6-dimethyl-1,10-phenanthroline",Cc1c(C)c2cccnc2c3ncccc13,Cc1c(C)c2cccnc2c3ncccc13,"InChI=1/C14H12N2/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13/h3-8H,1-2H3",C14H12N2,,,,,,BRPQDJPJBCQFSR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.680,223-848-5,4096-20-2,1-phenylpiperidine,1-phenylpiperidine,C1CCN(CC1)c2ccccc2,C1CCN(CC1)c2ccccc2,"InChI=1/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2",C11H15N,,,,,,LLSKXGRDUPMXLC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.693,223-862-1,4099-35-8,S-(2-aminoethyl)-L-cysteine monohydrochloride,N-(2-aminoethyl)-L-cysteine hydrochloride,Cl.NCCN[C@@H](CS)C(=O)O,Cl.NCCN[C@@H](CS)C(=O)O,"InChI=1/C5H12N2O2S.ClH/c6-1-2-7-4(3-10)5(8)9;/h4,7,10H,1-3,6H2,(H,8,9);1H",C5H12N2O2S.ClH,,,,,,PGHAYIZOVBQTIH-WCCKRBBISA-N,,,,,,,,,,,
100.021.700,223-870-5,4100-80-5,Methylsuccinic anhydride,"3-methyldihydrofuran-2,5-dione",CC1CC(=O)OC1=O,CC1CC(=O)OC1=O,"InChI=1/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3",C5H6O3,,,,,,DFATXMYLKPCSCX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.701,223-871-0,4101-68-2,"1,10-dibromodecane","1,10-dibromodecane",BrCCCCCCCCCCBr,BrCCCCCCCCCCBr,InChI=1/C10H20Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,C10H20Br2,,,,,,GTQHJCOHNAFHRE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.742,225-016-7,4609-41-0,2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-1-methylquinolinium iodide,"2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-methylquinolinium iodide",[I-].C[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2CC,[I-].C[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2CC,"InChI=1/C20H19N2S.HI/c1-3-22-18-10-6-7-11-19(18)23-20(22)14-16-13-12-15-8-4-5-9-17(15)21(16)2;/h4-14H,3H2,1-2H3;1H/q+1;/p-1",C20H19N2S.I,,,,,,JWPUZUFARDVWGW-UHFFFAOYSA-M,,,,,,,,,,,
100.022.745,225-019-3,4611-62-5,"2-ethyl-1,2-benzisoxazole tetrafluoroborate","2-ethyl-1,2-benzisoxazole tetrafluoroborate",FB(O)O.FB(O)O.FB(O)O.FB(O)O.CCN1Cc2ccccc2O1,FB(O)O.FB(O)O.FB(O)O.FB(O)O.CCN1Cc2ccccc2O1,"InChI=1/C9H11NO.4BFH2O2/c1-2-10-7-8-5-3-4-6-9(8)11-10;4*2-1(3)4/h3-6H,2,7H2,1H3;4*3-4H",C9H10NO.BF4,,,,,,UXCPYOUYFPNCIK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.878,218-565-9,2183-56-4,Hydromorphinol,"17-methyl-4,5-epoxymorphinan-3,6,14-triol",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CC[C@@H]4O)c35,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CC[C@@H]4O)c35,"InChI=1/C17H21NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,11-12,15,19-21H,4-8H2,1H3",C17H21NO4,,,,,,AABLHGPVOULICI-BRJGLHKUSA-N,,,,,,,,,,,
100.016.881,218-569-0,2184-88-5,2-(4-chlorophenyl)propiononitrile,2-(4-chlorophenyl)propanenitrile,CC(C#N)c1ccc(Cl)cc1,CC(C#N)c1ccc(Cl)cc1,"InChI=1/C9H8ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3",C9H8ClN,,,,,,GIZHRKQXPROIGC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.259,222-284-7,3404-67-9,3-methyl-4-methylenehexane,3-methyl-4-methylenehexane,CCC(C)C(=C)CC,CCC(C)C(=C)CC,"InChI=1/C8H16/c1-5-7(3)8(4)6-2/h8H,3,5-6H2,1-2,4H3",C8H16,,,,,,YXLCVBVDFKWWRW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.265,222-291-5,8/02/3406,[methylenebis(sulphonyl)]bisbenzene,"1,1'-(methylenedisulfonyl)dibenzene",O=S(=O)(CS(=O)(=O)c1ccccc1)c2ccccc2,O=S(=O)(CS(=O)(=O)c1ccccc1)c2ccccc2,"InChI=1/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2",C13H12O4S2,,,,,,QCHNSJNRFSOCLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.267,222-293-6,3406-84-6,"4,4'-bis(phenylsulphonyl) dichloride","biphenyl-4,4'-disulfonyl dichloride",ClS(=O)(=O)c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Cl,ClS(=O)(=O)c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Cl,"InChI=1/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H",C12H8Cl2O4S2,,,,,,OTFAWEIFBPUXOH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.270,222-296-2,3410-54-6,17ß-hydroxyandrost-4-ene-3-one butyrate,3-oxoandrost-4-en-17-yl butyrate,CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H34O3/c1-4-5-21(25)26-20-9-8-18-17-7-6-15-14-16(24)10-12-22(15,2)19(17)11-13-23(18,20)3/h14,17-20H,4-13H2,1-3H3",C23H34O3,,,,,,OMPTUWYLCDEFSJ-WAUHAFJUSA-N,,,,,,,,,,,
100.020.273,222-299-9,3411-95-8,2-benzothiazol-2-ylphenol,"2-(1,3-benzothiazol-2-yl)phenol",Oc1ccccc1c2nc3ccccc3s2,Oc1ccccc1c2nc3ccccc3s2,"InChI=1/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H",C13H9NOS,,,,,,MVVGSPCXHRFDDR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.276,222-302-3,3413-58-9,Ethylhydrocupreine hydrochloride,"6'-ethoxy-10,11-dihydrocinchonan-9-ol hydrochloride",Cl.CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1,Cl.CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1,"InChI=1/C21H28N2O2.ClH/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19;/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3;1H",C21H28N2O2.ClH,,,,,,QNRATNLHPGXHMA-XZHTYLCXSA-N,,,,,,,,,,,
100.020.278,222-304-4,3413-64-7,N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide monohydrochloride,N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide hydrochloride,Cl.CCN(CC)CCNC(=O)COc1ccc(OC)cc1,Cl.CCN(CC)CCNC(=O)COc1ccc(OC)cc1,"InChI=1/C15H24N2O3.ClH/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14;/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);1H",C15H24N2O3.ClH,,,,,,AXBHPHPHZHAOAK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.279,222-306-5,3414-62-8,Inosine oxime,5-O-[6-(hydroxyamino)-9H-purin-9-yl]pentofuranose,ONc1ncnc2c1ncn2OCC3OC(O)C(O)C3O,ONc1ncnc2c1ncn2OCC3OC(O)C(O)C3O,"InChI=1/C10H13N5O6/c16-6-4(21-10(18)7(6)17)1-20-15-3-13-5-8(14-19)11-2-12-9(5)15/h2-4,6-7,10,16-19H,1H2,(H,11,12,14)",C10H13N5O5,,,,,,AYWLSJPWHMHFCS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.287,222-314-9,3423-25-4,Endo-8-isopropyl-8-azabicyclo[3.2.1]octan-3-ol,8-isopropyl-8-azabicyclo[3.2.1]octan-3-ol,CC(C)N1[C@@H]2CC[C@H]1C[C@@H](O)C2,CC(C)N1[C@@H]2CC[C@H]1C[C@@H](O)C2,"InChI=1/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3",C10H19NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7959,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.287,YYDQYSQZIUSKFN-MYJAWHEDSA-N,,,,,,,,,,,
100.020.301,222-330-6,3426-89-9,Phenyl dichlorophosphite,phenyl dichlorophosphite,ClP(Cl)Oc1ccccc1,ClP(Cl)Oc1ccccc1,InChI=1/C6H5Cl2OP/c7-10(8)9-6-4-2-1-3-5-6/h1-5H,C6H5Cl2OP,,,,,,LXHWDUISRBUGRA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.302,222-331-1,3428-24-8,"4,5-dichloropyrocatechol","4,5-dichlorobenzene-1,2-diol",Oc1cc(Cl)c(Cl)cc1O,Oc1cc(Cl)c(Cl)cc1O,"InChI=1/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H",C6H4Cl2O2,,,,,,ACCHWUWBKYGKNM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.303,222-332-7,3430-33-9,"2,6-dimethyl-3-pyridylamine","2,6-dimethylpyridin-3-amine",Cc1ccc(N)c(C)n1,Cc1ccc(N)c(C)n1,"InChI=1/C7H10N2/c1-5-3-4-7(8)6(2)9-5/h3-4H,8H2,1-2H3",C7H10N2,,,,,,WISXXOGOMDYNSN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.305,222-334-8,3433-80-5,a-2-dibromotoluene,1-bromo-2-(bromomethyl)benzene,BrCc1ccccc1Br,BrCc1ccccc1Br,"InChI=1/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",C7H6Br2,,,,,,LZSYGJNFCREHMD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.475,223-621-0,3982-87-4,Triisobutylphosphine sulphide,triisobutylphosphine sulfide,CC(C)CP(=S)(CC(C)C)CC(C)C,CC(C)CP(=S)(CC(C)C)CC(C)C,"InChI=1/C12H27PS/c1-10(2)7-13(14,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27PS,,,,,,MXRLZCWBOJMFJG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.478,223-624-7,3983-45-7,"Dimethyl 2,4,5-trichlorophenyl phosphate","dimethyl 2,4,5-trichlorophenyl phosphate",COP(=O)(OC)Oc1cc(Cl)c(Cl)cc1Cl,COP(=O)(OC)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H8Cl3O4P/c1-13-16(12,14-2)15-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3",C8H8Cl3O4P,,,,,,XWMMHXRGYYPFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.479,223-625-2,3983-91-3,Tetramethylammonium toluene-p-sulphonate,"N,N,N-trimethylmethanaminium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].C[N+](C)(C)C,Cc1ccc(cc1)S(=O)(=O)[O-].C[N+](C)(C)C,"InChI=1/C7H8O3S.C4H12N/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4/h2-5H,1H3,(H,8,9,10);1-4H3/q;+1/p-1",C7H7O3S.C4H12N,,,,,,FHVCZJGBXWNGIZ-UHFFFAOYSA-M,,,,,,,,,,,
100.021.481,223-627-3,3984-34-7,3-(4-chlorobenzoyl)propionic acid,4-(4-chlorophenyl)-4-oxobutanoic acid,OC(=O)CCC(=O)c1ccc(Cl)cc1,OC(=O)CCC(=O)c1ccc(Cl)cc1,"InChI=1/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)",C10H9ClO3,,,,,,AHVASTJJVAYFPY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.482,223-628-9,3984-76-7,"N,N-dimethylethylenediamine dihydrochloride","N,N-dimethylethane-1,2-diamine dihydrochloride",Cl.Cl.CN(C)CCN,Cl.Cl.CN(C)CCN,"InChI=1/C4H12N2.2ClH/c1-6(2)4-3-5;;/h3-5H2,1-2H3;2*1H",C4H12N2.2ClH,,,,,,PRFNLTCRRYQZOE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.486,223-633-6,3989-75-1,"2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)naphtho[2,1-b]thiophen-1(2H)-one","1H,1'H-2,2'-binaphtho[2,1-b]thiophene-1,1'-dione",O=C4c5c6ccccc6ccc5SC4=C3Sc2ccc1ccccc1c2C3=O,O=C4c5c6ccccc6ccc5SC4=C3Sc2ccc1ccccc1c2C3=O,InChI=1/C24H12O2S2/c25-21-19-15-7-3-1-5-13(15)9-11-17(19)27-23(21)24-22(26)20-16-8-4-2-6-14(16)10-12-18(20)28-24/h1-12H,C24H12O2S2,,,,,,RNJIWICOCATEFH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.488,223-635-7,2/03/3990,Ethyl hydrogen maleate,4-ethoxy-4-oxobut-2-enoic acid,O=C(O)/C=C\\C(=O)OCC,O=C(O)/C=C\C(=O)OCC,"InChI=1/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)",C6H8O4,,,,,,XLYMOEINVGRTEX-ARJAWSKDSA-N,,,,,,,,,,,
100.021.489,223-636-2,4/05/3990,Ethyl 7-oxoheptanoate,ethyl 7-oxoheptanoate,CCOC(=O)CCCCCC=O,CCOC(=O)CCCCCC=O,"InChI=1/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8-10/h8H,2-7H2,1H3",C9H16O3,,,,,,SQOMZPCAODNNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.491,223-638-3,3991-73-9,Octyl dihydrogen phosphate,octyl dihydrogen phosphate,CCCCCCCCOP(=O)(O)O,CCCCCCCCOP(=O)(O)O,"InChI=1/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)",C8H19O4P,,,,,,WRKCIHRWQZQBOL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.002,218-701-7,2216-90-2,Ethyl (±)-bromophenylacetate,ethyl bromo(phenyl)acetate,CCOC(=O)C(Br)c1ccccc1,CCOC(=O)C(Br)c1ccccc1,"InChI=1/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",C10H11BrO2,,,,,,BKTKLDMYHTUESO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.385,222-422-6,3466-80-6,2-phenylpiperidine,2-phenylpiperidine,C1CCC(NC1)c2ccccc2,C1CCC(NC1)c2ccccc2,"InChI=1/C11H15N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7,11-12H,4-5,8-9H2",C11H15N,,,,,,WGIAUTGOUJDVEI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.391,222-428-9,3468-53-9,Phenyl nicotinate,phenyl nicotinate,O=C(Oc1ccccc1)c2cccnc2,O=C(Oc1ccccc1)c2cccnc2,InChI=1/C12H9NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-9H,C12H9NO2,,,,,,QEJPOSAIULNDLU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.392,222-429-4,3468-63-1,"1-[(2,4-dinitrophenyl)azo]-2-naphthol","1-[(2,4-dinitrophenyl)diazenyl]-2-naphthol",[O-][N+](=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(c3)[N+]([O-])=O,[O-][N+](=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(c3)[N+]([O-])=O,"InChI=1/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H",C16H10N4O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14537,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.392,HBHZKFOUIUMKHV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.398,222-436-2,3470-36-8,Calcium bis[D-xylo-hex-5-ulosonate],"calcium bis(2,3,4,6-tetrahydroxy-5-oxohexanoate) (non-preferred name)",[Ca+2].OCC(=O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OCC(=O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Ca+2].OCC(=O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OCC(=O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*3-5,7,9-11H,1H2,(H,12,13);/q;;+2/p-2",C6H10O7.1/2Ca,,,,,,HNXKHQGRMMZMKP-UINDWOIOSA-L,,,,,,,,,,,
100.020.400,222-438-3,3471-31-6,5-methoxyindol-3-ylacetic acid,(5-methoxy-1H-indol-3-yl)acetic acid,COc1ccc2[nH]cc(CC(=O)O)c2c1,COc1ccc2[nH]cc(CC(=O)O)c2c1,"InChI=1/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)",C11H11NO3,,,,,,COCNDHOPIHDTHK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.402,222-440-4,8/11/3473,N-hydroxymethaniminium chloride,N-hydroxymethaniminium chloride,[Cl-].O[NH+]=C,[Cl-].O[NH+]=C,"InChI=1/CH3NO.ClH/c1-2-3;/h3H,1H2;1H",CH3NO.ClH,,,,,,ZNGCJNWNSDXSQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.308,222-337-4,3435-52-7,Isobutyl p-(dimethylamino)cinnamate,isobutyl 3-[4-(dimethylamino)phenyl]acrylate,CC(C)COC(=O)\\C=C\\c1ccc(cc1)N(C)C,CC(C)COC(=O)\C=C\c1ccc(cc1)N(C)C,"InChI=1/C15H21NO2/c1-12(2)11-18-15(17)10-7-13-5-8-14(9-6-13)16(3)4/h5-10,12H,11H2,1-4H3",C15H21NO2,,,,,,INWSGMUDMWLVJX-JXMROGBWSA-N,,,,,,,,,,,
100.020.309,222-339-5,3437-23-8,N-isobutylethylenediamine,"N-isobutylethane-1,2-diamine",CC(C)CNCCN,CC(C)CNCCN,"InChI=1/C6H16N2/c1-6(2)5-8-4-3-7/h6,8H,3-5,7H2,1-2H3",C6H16N2,,,,,,RJCXIVJEQLXULD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.312,222-342-1,3437-95-4,2-iodothiophene,2-iodothiophene,Ic1cccs1,Ic1cccs1,InChI=1/C4H3IS/c5-4-2-1-3-6-4/h1-3H,C4H3IS,,,,,,ROIMNSWDOJCBFR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.314,222-344-2,3438-46-8,4-methylpyrimidine,4-methylpyrimidine,Cc1ccncn1,Cc1ccncn1,"InChI=1/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3",C5H6N2,,,,,,LVILGAOSPDLNRM-UHFFFAOYSA-N,Positive,SM826401,[M+H]+,HCD35,95.0603:68.0495:67.0543,CASMI_2016,,,,,
100.020.316,222-346-3,6/02/3440,Dimethyldiphenoxysilane,dimethyl(diphenoxy)silane,C[Si](C)(Oc1ccccc1)Oc2ccccc2,C[Si](C)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C14H16O2Si/c1-17(2,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3",C14H16O2Si,,,,,,SWLVAJXQIOKFSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.317,222-347-9,3440-30-0,Methyl N-ethyl-ß-alaninate,methyl N-ethyl-beta-alaninate,CCNCCC(=O)OC,CCNCCC(=O)OC,"InChI=1/C6H13NO2/c1-3-7-5-4-6(8)9-2/h7H,3-5H2,1-2H3",C6H13NO2,,,,,,KDGSVMQRTUAIDO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.318,222-348-4,3441-14-3,Disodium 3-[(4-acetamidophenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonate,disodium 3-[(4-acetamidophenyl)diazenyl]-4-hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonato-2-naphthyl]carbamoyl}amino)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S([O-])(=O)=O,"InChI=1/C35H27N7O10S2.2Na/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23;;/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C35H27N7O10S2.2Na,,,,,,NLMHXPDMNXMQBY-UHFFFAOYSA-L,,,,,,,,,,,
100.020.320,222-351-0,3442-21-5,Disodium 5-[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-naphthyl]azo]salicylate,disodium 5-({4-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc5ccc(N=Nc3c(cc2ccc(N)cc2c3O)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc5ccc(N=Nc3c(cc2ccc(N)cc2c3O)S([O-])(=O)=O)c4ccccc45,"InChI=1/C27H19N5O7S.2Na/c28-15-6-5-14-11-24(40(37,38)39)25(26(34)19(14)12-15)32-31-22-9-8-21(17-3-1-2-4-18(17)22)30-29-16-7-10-23(33)20(13-16)27(35)36;;/h1-13,33-34H,28H2,(H,35,36)(H,37,38,39);;/q;2*+1/p-2",C27H19N5O7S.2Na,,,,,,DSCVOQXQGTYXMV-UHFFFAOYSA-L,,,,,,,,,,,
100.020.337,222-369-9,3448-13-3,4-[2-(1-hydroxyethyl)-3-methyl-5-benzofuryl]furan-2(5H)-one,4-[2-(1-hydroxyethyl)-3-methyl-1-benzofuran-5-yl]furan-2(5H)-one,CC(O)c1oc2ccc(cc2c1C)C3=CC(=O)OC3,CC(O)c1oc2ccc(cc2c1C)C3=CC(=O)OC3,"InChI=1/C15H14O4/c1-8-12-5-10(11-6-14(17)18-7-11)3-4-13(12)19-15(8)9(2)16/h3-6,9,16H,7H2,1-2H3",C15H14O4,,,,,,MQNWWJVIEQBJJO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.341,222-374-6,1/07/3452,Icos-1-ene,icos-1-ene,CCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCC=C,"InChI=1/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3",C20H40,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11529,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.341,VAMFXQBUQXONLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.344,222-377-2,3453-33-6,6-methoxynaphthalene-2-carbaldehyde,6-methoxy-2-naphthaldehyde,COc1ccc2cc(C=O)ccc2c1,COc1ccc2cc(C=O)ccc2c1,"InChI=1/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3",C12H10O2,,,,,,VZBLASFLFFMMCM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.346,222-379-3,3453-83-6,"Mesitylene-2-sulphonic acid, dihydrate","2,4,6-trimethylbenzenesulfonic acid",Cc1cc(C)c(c(C)c1)S(=O)(=O)O,Cc1cc(C)c(c(C)c1)S(=O)(=O)O,"InChI=1/C9H12O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)",C9H12O3S,,,,,,LXFQSRIDYRFTJW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.347,222-380-9,3/03/3454,4-hydroxypyridinium nitrate,4-hydroxypyridinium nitrate,Oc1cc[nH+]cc1.[O-][N+](=O)[O-],Oc1cc[nH+]cc1.[O-][N+](=O)[O-],"InChI=1/C5H5NO.NO3/c7-5-1-3-6-4-2-5;2-1(3)4/h1-4H,(H,6,7);/q;-1/p+1",C5H5NO.HNO3,,,,,,VCVVMHOPWKFWRT-UHFFFAOYSA-O,,,,,,,,,,,
100.020.349,222-383-5,3454-28-2,Furfuryl methacrylate,2-furylmethyl methacrylate,CC(=C)C(=O)OCc1occc1,CC(=C)C(=O)OCc1occc1,"InChI=1/C9H10O3/c1-7(2)9(10)12-6-8-4-3-5-11-8/h3-5H,1,6H2,2H3",C9H10O3,,,,,,DWXAVNJYFLGAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.350,222-384-0,3454-29-3,"1-(2,3-epoxypropoxy)-2,2-bis[(2,3-epoxypropoxy)methyl]butane","2-({2,2-bis[(oxiran-2-ylmethoxy)methyl]butoxy}methyl)oxirane",CCC(COCC1CO1)(COCC2CO2)COCC3CO3,CCC(COCC1CO1)(COCC2CO2)COCC3CO3,"InChI=1/C15H26O6/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14/h12-14H,2-11H2,1H3",C15H26O6,,,,,,QECCQGLIYMMHCR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.705,223-875-2,4104-45-4,3-methylthiopropylamine,3-(methylsulfanyl)propan-1-amine,CSCCCN,CSCCCN,"InChI=1/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3",C4H11NS,,,,,,KKYSBGWCYXYOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.719,223-890-4,4110-50-3,Ethyl propyl sulphide,1-(ethylsulfanyl)propane,CCCSCC,CCCSCC,"InChI=1/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3",C5H12S,,,,,,ZDDDFDQTSXYYSE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.723,223-895-1,2/03/4112,Methylsulphamic acid,methylsulfamic acid,CNS(=O)(=O)O,CNS(=O)(=O)O,"InChI=1/CH5NO3S/c1-2-6(3,4)5/h2H,1H3,(H,3,4,5)",CH5NO3S,,,,,,MYMDOKBFMTVEGE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.724,223-896-7,7/08/4112,Methyl 4-[[(4-methoxyphenyl)methylene-]amino]benzoate,methyl 4-[(4-methoxybenzylidene)amino]benzoate,COC(=O)c1ccc(cc1)N=Cc2ccc(OC)cc2,COC(=O)c1ccc(cc1)N=Cc2ccc(OC)cc2,"InChI=1/C16H15NO3/c1-19-15-9-3-12(4-10-15)11-17-14-7-5-13(6-8-14)16(18)20-2/h3-11H,1-2H3",C16H15NO3,,,,,,MKAJIWRJVNVWRN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.725,223-897-2,4112-25-8,"N,N'-hexane-1,6-diyldistearamide","N,N'-hexane-1,6-diyldioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41(45)43-39-35-31-32-36-40-44-42(46)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46)",C42H84N2O2,,,,,,SLZWSYPJQQIDJB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.727,223-899-3,4112-92-9,2-methoxyphenyl butyrate,2-methoxyphenyl butyrate,CCCC(=O)Oc1ccccc1OC,CCCC(=O)Oc1ccccc1OC,"InChI=1/C11H14O3/c1-3-6-11(12)14-10-8-5-4-7-9(10)13-2/h4-5,7-8H,3,6H2,1-2H3",C11H14O3,,,,,,ZPWOACJMDUYOJH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.697,242-584-1,18795-58-9,"Dibutyl 2,2-dichlorovinyl phosphate","dibutyl 2,2-dichlorovinyl phosphate",CCCCOP(=O)(OCCCC)OC=C(Cl)Cl,CCCCOP(=O)(OCCCC)OC=C(Cl)Cl,"InChI=1/C10H19Cl2O4P/c1-3-5-7-14-17(13,15-8-6-4-2)16-9-10(11)12/h9H,3-8H2,1-2H3",C10H19Cl2O4P,,,,,,LZILLTAAQRALBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.701,242-588-3,18801-00-8,2-(tert-butyl)anthracene,2-tert-butylanthracene,CC(C)(C)c1ccc2cc3ccccc3cc2c1,CC(C)(C)c1ccc2cc3ccccc3cc2c1,"InChI=1/C18H18/c1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12H,1-3H3",C18H18,,,,,,WBPXZSIKOVBSAS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.706,242-594-6,18810-58-7,Barium azide,barium diazide,[Ba+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-],[Ba+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-],InChI=1/Ba.2N3/c;2*1-3-2/q+2;2*-1,BaN6,,,,,,UUXFWHMUNNXFHD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.716,242-604-9,18824-74-3,"Dipotassium 3,4,5,6-tetrabromophthalate","dipotassium 3,4,5,6-tetrabromophthalate",[K+].[K+].[O-]C(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-],[K+].[K+].[O-]C(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-],"InChI=1/C8H2Br4O4.2K/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;/h(H,13,14)(H,15,16);;/q;2*+1/p-2",C8H2Br4O4.2K,,,,,,VQGCTIUJDSOQNU-UHFFFAOYSA-L,,,,,,,,,,,
100.038.724,242-613-8,18832-83-2,Bromo(2-hydroxypropyl)mercury,bromo(2-hydroxypropyl)mercury,CC(O)C[Hg]Br,CC(O)C[Hg]Br,"InChI=1/C3H7O.BrH.Hg/c1-3(2)4;;/h3-4H,1H2,2H3;1H;/q;;+1/p-1/rC3H7BrHgO/c1-3(6)2-5-4/h3,6H,2H2,1H3",C3H7BrHgO,,,,,,OZLDBWWJHADRAL-UHFFFAOYSA-M,,,,,,,,,,,
100.038.727,242-616-4,18835-34-2,Octacos-1-ene,octacos-1-ene,CCCCCCCCCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C28H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-28H2,2H3",C28H56,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11436,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.727,QEXZDYLACYKGOM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.742,242-633-7,18861-57-9,Ethyl 2-cyano-3-(4-fluorophenyl)acrylate,ethyl 2-cyano-3-(4-fluorophenyl)acrylate,CCOC(=O)\\C(=C/c1ccc(F)cc1)\\C#N,CCOC(=O)\C(=C/c1ccc(F)cc1)\C#N,"InChI=1/C12H10FNO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3",C12H10FNO2,,,,,,OSTPLWBGNXWIBG-YFHOEESVSA-N,,,,,,,,,,,
100.041.214,245-352-8,22961-45-1,N-phenylpyridin-4-amine,N-phenylpyridin-4-amine,N(c1ccccc1)c2ccncc2,N(c1ccccc1)c2ccncc2,"InChI=1/C11H10N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H,(H,12,13)",C11H10N2,,,,,,DKQSRQLSDPYGCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.223,245-362-2,22980-09-2,a-oxo-1H-indole-3-acetyl chloride,1H-indol-3-yl(oxo)acetyl chloride,ClC(=O)C(=O)c1c[nH]c2ccccc12,ClC(=O)C(=O)c1c[nH]c2ccccc12,"InChI=1/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H",C10H6ClNO2,,,,,,FPEGGKCNMYDNMW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.227,245-366-4,22984-54-9,"Butan-2-one O,O',O''-(methylsilylidyne)trioxime","butan-2-one O,O',O''-(methylsilanetriyl)oxime",CC\\C(=N\\O[Si](C)(O\\N=C(/C)\\CC)O\\N=C(/C)\\CC)\\C,CC\C(=N\O[Si](C)(O\N=C(/C)\CC)O\N=C(/C)\CC)\C,"InChI=1/C13H27N3O3Si/c1-8-11(4)14-17-20(7,18-15-12(5)9-2)19-16-13(6)10-3/h8-10H2,1-7H3",C13H27N3O3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14332,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.227,OGZPYBBKQGPQNU-DABLZPOSSA-N,,,,,,,,,,,
100.041.229,245-369-0,22987-10-6,N-(3-aminophenyl)propionamide,N-(3-aminophenyl)propanamide,CCC(=O)Nc1cccc(N)c1,CCC(=O)Nc1cccc(N)c1,"InChI=1/C9H12N2O/c1-2-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2,10H2,1H3,(H,11,12)",C9H12N2O,,,,,,VGDKCRMZIWPMPW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.343,220-176-4,2653-64-7,1-(1-naphthylazo)-2-naphthol,1-(1-naphthyldiazenyl)-2-naphthol,Oc4ccc1ccccc1c4N=Nc3cccc2ccccc23,Oc4ccc1ccccc1c4N=Nc3cccc2ccccc23,"InChI=1/C20H14N2O/c23-19-13-12-15-7-2-4-10-17(15)20(19)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H",C20H14N2O,,,,,,CYZWPZHRSZNWLS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.346,220-180-6,2654-57-1,4-methyl-1-phenyl-3-pyrazolidone,4-methyl-1-phenylpyrazolidin-3-one,CC1CN(NC1=O)c2ccccc2,CC1CN(NC1=O)c2ccccc2,"InChI=1/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)",C10H12N2O,,,,,,ZZEYCGJAYIHIAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.362,220-197-9,2664-63-3,"4,4'-thiodiphenol","4,4'-sulfanediyldiphenol",Oc1ccc(Sc2ccc(O)cc2)cc1,Oc1ccc(Sc2ccc(O)cc2)cc1,"InChI=1/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H",C12H10O2S,,,,,,VWGKEVWFBOUAND-UHFFFAOYSA-N,Negative,,,,,,SM804853,[M-H]-,HCD35,123.9983:217.0329,CASMI_2016
100.018.374,220-211-3,2669-94-5,"3,4-dihydro-6-hydroxy-2H-1-benzopyran-2-one",6-hydroxychroman-2-one,Oc1ccc2OC(=O)CCc2c1,Oc1ccc2OC(=O)CCc2c1,"InChI=1/C9H8O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5,10H,1,4H2",C9H8O3,,,,,,ZCNZNVIRVHJXKV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.875,221-862-6,3260-88-6,3-chloro-2-methylanisole,1-chloro-3-methoxy-2-methylbenzene,COc1cccc(Cl)c1C,COc1cccc(Cl)c1C,"InChI=1/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3",C8H9ClO,,,,,,LTVRGAWOEOKGJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.877,221-864-7,3261-53-8,Gitaloxin,"3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@H](C[C@]67O)OC=O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@H](C[C@]67O)OC=O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,"InChI=1/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3",C42H64O15,,,,,,GZZJHPZDXZCDDA-MBJUQXSJSA-N,,,,,,,,,,,
100.019.880,221-867-3,3262-72-4,N-[tert-butoxycarbonyl]-L-serine,N-(tert-butoxycarbonyl)-L-serine,CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O,"InChI=1/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)",C8H15NO5,,,,,,FHOAKXBXYSJBGX-YFKPBYRVSA-N,,,,,,,,,,,
100.019.882,221-869-4,3263-31-8,6-ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one,"6,6'-diethoxy-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",CCOc1ccc2C(=O)C(Sc2c1)=C4Sc3cc(ccc3C4=O)OCC,CCOc1ccc2C(=O)C(Sc2c1)=C4Sc3cc(ccc3C4=O)OCC,"InChI=1/C20H16O4S2/c1-3-23-11-5-7-13-15(9-11)25-19(17(13)21)20-18(22)14-8-6-12(24-4-2)10-16(14)26-20/h5-10H,3-4H2,1-2H3",C20H16O4S2,,,,,,VMXWZRNWXZSSCE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.883,221-871-5,3263-46-5,"1,8-dihydroxy-4-[[3-(1-hydroxyethyl)phenyl]amino]-5-nitroanthraquinone","1,8-dihydroxy-4-{[3-(1-hydroxyethyl)phenyl]amino}-5-nitro-9,10-anthraquinone",CC(O)c1cccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])c1,CC(O)c1cccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])c1,"InChI=1/C22H16N2O7/c1-10(25)11-3-2-4-12(9-11)23-13-5-7-15(26)19-17(13)21(28)18-14(24(30)31)6-8-16(27)20(18)22(19)29/h2-10,23,25-27H,1H3",C22H16N2O7,,,,,,ZSWIUCCRFLSRIH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.886,221-874-1,3264-67-3,Triethyloxonium hexachloroantimonate(1-),triethyloxonium hexachloroantimonate(1-),CC[O+](CC)CC.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,CC[O+](CC)CC.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/C6H15O.6ClH.Sb/c1-4-7(5-2)6-3;;;;;;;/h4-6H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6/rC6H15O.Cl6Sb/c1-4-7(5-2)6-3;1-7(2,3,4,5)6/h4-6H2,1-3H3;/q+1;-1",C6H15O.Cl6Sb,,,,,,QHWUSZRAYQUNCY-UHFFFAOYSA-H,,,,,,,,,,,
100.019.889,221-877-8,3266-23-7,"2,3-epoxybutane","2,3-dimethyloxirane",CC1OC1C,CC1OC1C,"InChI=1/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3",C4H8O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17018,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.889,PQXKWPLDPFFDJP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.359,219-094-1,2356-53-8,"1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane","1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane",FC(F)(F)OC(F)(Cl)C(F)(F)Cl,FC(F)(F)OC(F)(Cl)C(F)(F)Cl,"InChI=1/C3Cl2F6O/c4-1(6,7)2(5,8)12-3(9,10)11",C3Cl2F6O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11277,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.359,PIHHZNWHYDIJIP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.361,219-096-2,2357-52-0,4-bromo-2-fluoroanisole,4-bromo-2-fluoro-1-methoxybenzene,COc1ccc(Br)cc1F,COc1ccc(Br)cc1F,"InChI=1/C7H6BrFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3",C7H6BrFO,,,,,,DWNXGZBXFDNKOR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.362,219-097-8,2357-60-0,2-[[(heptadecafluorooctyl)sulphonyl]propylamino]ethyl acrylate,2-{[(heptadecafluorooctyl)sulfonyl](propyl)amino}ethyl acrylate,CCCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H14F17NO4S/c1-3-5-34(6-7-38-8(35)4-2)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h4H,2-3,5-7H2,1H3",C16H14F17NO4S,,,,,,CZDIKJOTAVHOTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.405,222-444-6,3473-75-4,"Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","disodium 5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[O-]C(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C10H8N2O6S.2Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;;/h1-4H,5H2,(H,14,15)(H,16,17,18);;/q;2*+1/p-2",C10H8N2O6S.2Na,,,,,,RXHYVYDFUMUDDG-UHFFFAOYSA-L,,,,,,,,,,,
100.020.409,222-448-8,3475-21-6,4-methyl-2-phenylpyridine,4-methyl-2-phenylpyridine,Cc1ccnc(c1)c2ccccc2,Cc1ccnc(c1)c2ccccc2,"InChI=1/C12H11N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3",C12H11N,,,,,,WWMRJCUZPJJWBC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.410,222-449-3,3475-74-9,"1-[4-(dimethylamino)-3,5-dinitrophenyl]-1H-pyrrole-2,5-dione","1-[4-(dimethylamino)-3,5-dinitrophenyl]-1H-pyrrole-2,5-dione",CN(C)c1c(cc(cc1[N+](=O)[O-])N2C(=O)C=CC2=O)[N+](=O)[O-],CN(C)c1c(cc(cc1[N+](=O)[O-])N2C(=O)C=CC2=O)[N+](=O)[O-],"InChI=1/C12H10N4O6/c1-13(2)12-8(15(19)20)5-7(6-9(12)16(21)22)14-10(17)3-4-11(14)18/h3-6H,1-2H3",C12H10N4O6,,,,,,QPYAUURPGVXHFK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.412,222-451-4,2/10/3478,2-hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate,2-hydroxy-3-(2-methylphenoxy)propyl 2-acetoxybenzoate,CC(=O)Oc1ccccc1C(=O)OCC(O)COc2ccccc2C,CC(=O)Oc1ccccc1C(=O)OCC(O)COc2ccccc2C,"InChI=1/C19H20O6/c1-13-7-3-5-9-17(13)23-11-15(21)12-24-19(22)16-8-4-6-10-18(16)25-14(2)20/h3-10,15,21H,11-12H2,1-2H3",C19H20O6,,,,,,XWMBLLILMKLCFO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.418,222-458-2,5/02/3481,Cyclopropyl phenyl ketone,cyclopropyl(phenyl)methanone,O=C(C1CC1)c2ccccc2,O=C(C1CC1)c2ccccc2,"InChI=1/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2",C10H10O,,,,,,PJRHFTYXYCVOSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.469,220-315-9,2718-78-7,2-(diphenylamino)-5-[(3-ethyl-3H-benzothiazol-2-ylidene)ethylidene]thiazol-4(5H)-one,"2-(diphenylamino)-5-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-1,3-thiazol-4(5H)-one",O=C3\\N=C(/SC3=CC=C2Sc1ccccc1N2CC)N(c4ccccc4)c5ccccc5,O=C3\N=C(/SC3=CC=C2Sc1ccccc1N2CC)N(c4ccccc4)c5ccccc5,"InChI=1/C26H21N3OS2/c1-2-28-21-15-9-10-16-22(21)31-24(28)18-17-23-25(30)27-26(32-23)29(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18H,2H2,1H3",C26H21N3OS2,,,,,,BOMGUORSURCISS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.471,220-318-5,6/08/2719,Methyl 2-(acetylamino)benzoate,methyl 2-acetamidobenzoate,COC(=O)c1ccccc1NC(=O)C,COC(=O)c1ccccc1NC(=O)C,"InChI=1/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)",C10H11NO3,,,,,,UYQKZKVNYKOXHG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.477,220-324-8,2719-52-0,2-phenylpentane,(1-methylbutyl)benzene,CCCC(C)c1ccccc1,CCCC(C)c1ccccc1,"InChI=1/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3",C11H16,,,,,,LTHAIAJHDPJXLG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.478,220-325-3,2719-62-2,6-phenyldodecane,(1-pentylheptyl)benzene,CCCCCCC(CCCCC)c1ccccc1,CCCCCCC(CCCCC)c1ccccc1,"InChI=1/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3",C18H30,,,,,,ZYHJQFMTTFCBKH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.480,220-327-4,2719-64-4,4-phenyldodecane,(1-propylnonyl)benzene,CCCCCCCCC(CCC)c1ccccc1,CCCCCCCCC(CCC)c1ccccc1,"InChI=1/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3",C18H30,,,,,,RHDHXBLZBVAPTL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.483,220-331-6,2720-76-5,Potassium O-hexyl dithiocarbonate,potassium O-hexyl dithiocarbonate,[K+].CCCCCCOC(=S)[S-],[K+].CCCCCCOC(=S)[S-],"InChI=1/C7H14OS2.K/c1-2-3-4-5-6-8-7(9)10;/h2-6H2,1H3,(H,9,10);/q;+1/p-1",C7H14OS2.K,,,,,,ZTHBGWDIOJXYNC-UHFFFAOYSA-M,,,,,,,,,,,
100.018.485,220-333-7,2720-80-1,Potassium O-octyl dithiocarbonate,potassium O-octyl dithiocarbonate,[K+].CCCCCCCCOC(=S)[S-],[K+].CCCCCCCCOC(=S)[S-],"InChI=1/C9H18OS2.K/c1-2-3-4-5-6-7-8-10-9(11)12;/h2-8H2,1H3,(H,11,12);/q;+1/p-1",C9H18OS2.K,,,,,,YEEBCCODSASHMM-UHFFFAOYSA-M,,,,,,,,,,,
100.018.486,220-334-2,2721-22-4,Tetrahydro-6-nonyl-2H-pyran-2-one,6-nonyltetrahydro-2H-pyran-2-one,CCCCCCCCCC1CCCC(=O)O1,CCCCCCCCCC1CCCC(=O)O1,"InChI=1/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3",C14H26O2,,,,,,SKQYTJLYRIFFCO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.487,220-335-8,2722-36-3,3-phenylbutan-1-ol,3-phenylbutan-1-ol,CC(CCO)c1ccccc1,CC(CCO)c1ccccc1,"InChI=1/C10H14O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3",C10H14O,,,,,,SQGBBDFDRHDJCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.488,220-336-3,2724-58-5,16-methylheptadecanoic acid,16-methylheptadecanoic acid,CC(C)CCCCCCCCCCCCCCC(=O)O,CC(C)CCCCCCCCCCCCCCC(=O)O,"InChI=1/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)",C18H36O2,,,,,,XDOFQFKRPWOURC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.492,220-341-0,2725-81-7,6-nitro-2-benzopyrone,6-nitro-2H-chromen-2-one,O=C1Oc2ccc(cc2C=C1)N(=O)=O,O=C1Oc2ccc(cc2C=C1)N(=O)=O,InChI=1/C9H5NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5H,C9H5NO4,,,,,,RMERXEXZXIVNBF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.001,222-000-1,3312-58-1,"Piperazine-1,4-dimethanol","piperazine-1,4-diyldimethanol",OCN1CCN(CO)CC1,OCN1CCN(CO)CC1,"InChI=1/C6H14N2O2/c9-5-7-1-2-8(6-10)4-3-7/h9-10H,1-6H2",C6H14N2O2,,,,,,NQEQVKVMCQIFFB-UHFFFAOYSA-N,,,,,,,,,,,
100.019.893,221-882-5,3268-49-3,3-(methylthio)propionaldehyde,3-(methylsulfanyl)propanal,CSCCC=O,CSCCC=O,"InChI=1/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3",C4H8OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13720,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.893,CLUWOWRTHNNBBU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.911,221-901-7,3274-19-9,N-anthraquinon-1-ylacetamide,"N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide",CC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12,CC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H11NO3/c1-9(18)17-13-8-4-7-12-14(13)16(20)11-6-3-2-5-10(11)15(12)19/h2-8H,1H3,(H,17,18)",C16H11NO3,,,,,,WDJHNJSBPXRITJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.919,221-910-6,3278-31-7,"N,N'-p-phenylenedimaleimide","1,1'-(1,4-phenylene)bis(1H-pyrrole-2,5-dione)",O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O,O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O,InChI=1/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H,C14H8N2O4,,,,,,AQGZJQNZNONGKY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.923,221-914-8,3279-07-0,4-tert-butyl-2-nitrophenol,4-tert-butyl-2-nitrophenol,CC(C)(C)c1ccc(O)c(c1)[N+](=O)[O-],CC(C)(C)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3",C10H13NO3,,,,,,IHGNADPMUSNTJW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.924,221-915-3,3279-26-3,Methyl dichlorophosphite,methyl dichlorophosphite,COP(Cl)Cl,COP(Cl)Cl,InChI=1/CH3Cl2OP/c1-4-5(2)3/h1H3,CH3Cl2OP,,,,,,HCSDJECSMANTCX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.927,221-919-5,3279-76-3,6-methylpyridin-2-ol,6-methylpyridin-2-ol,Cc1cccc(O)n1,Cc1cccc(O)n1,"InChI=1/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)",C6H7NO,,,,,,JEAVIRYCMBDJIU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.931,221-923-7,3282-73-3,Didodecyldimethylammonium bromide,"N-dodecyl-N,N-dimethyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,[Br-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,"InChI=1/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1",C26H56N.Br,,,,,,XRWMGCFJVKDVMD-UHFFFAOYSA-M,,,,,,,,,,,
100.019.935,221-927-9,3/12/3283,Dimethylphosphinic acid,dimethylphosphinic acid,CP(=O)(C)O,CP(=O)(C)O,"InChI=1/C2H7O2P/c1-5(2,3)4/h1-2H3,(H,3,4)",C2H7O2P,,,,,,GOJNABIZVJCYFL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.898,220-787-6,2899-36-7,Ethyl L-methionate hydrochloride,ethyl L-methioninate hydrochloride,Cl.CCOC(=O)[C@@H](N)CCSC,Cl.CCOC(=O)[C@@H](N)CCSC,"InChI=1/C7H15NO2S.ClH/c1-3-10-7(9)6(8)4-5-11-2;/h6H,3-5,8H2,1-2H3;1H",C7H15NO2S.ClH,,,,,,KPWCQEUBJAIORR-RGMNGODLSA-N,,,,,,,,,,,
100.018.901,220-790-2,2900-63-2,"3,5-dinitrobenzohydrazide","3,5-dinitrobenzohydrazide",NNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N4O5/c8-9-7(12)4-1-5(10(13)14)3-6(2-4)11(15)16/h1-3H,8H2,(H,9,12)",C7H6N4O5,,,,,,IJVPILVRNBBRSO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.919,220-809-4,2905-56-8,1-benzylpiperidine,1-benzylpiperidine,C(N1CCCCC1)c2ccccc2,C(N1CCCCC1)c2ccccc2,"InChI=1/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2",C12H17N,,,,,,NZVZVGPYTICZBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.921,220-812-0,2905-61-5,"2,5-dichlorobenzoyl chloride","2,5-dichlorobenzoyl chloride",ClC(=O)c1cc(Cl)ccc1Cl,ClC(=O)c1cc(Cl)ccc1Cl,InChI=1/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,C7H3Cl3O,,,,,,RSINFFVFOTUDEC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.923,220-814-1,2905-65-9,Methyl 3-chlorobenzoate,methyl 3-chlorobenzoate,COC(=O)c1cccc(Cl)c1,COC(=O)c1cccc(Cl)c1,"InChI=1/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3",C8H7ClO2,,,,,,XRDRKVPNHIWTBX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.926,220-817-8,2906-55-0,(Z)-octadec-9-enyl palmitate,octadec-9-en-1-yl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3",C34H66O2,,,,,,ZCVXZRVTVSAZJS-ZCXUNETKSA-N,,,,,,,,,,,
100.018.928,220-819-9,2907-79-1,"N-(4-amino-9,10-dihydro-9,10-dioxo-3-phenoxy-1-anthryl)-4-methylbenzenesulphonamide","N-(4-amino-9,10-dioxo-3-phenoxy-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)Nc2cc(Oc3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c24,Cc1ccc(cc1)S(=O)(=O)Nc2cc(Oc3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C27H20N2O5S/c1-16-11-13-18(14-12-16)35(32,33)29-21-15-22(34-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3",C27H20N2O5S,,,,,,VOOHPYUBEFOAEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.929,220-820-4,2908-76-1,"N-(2,4-dinitrophenyl)-2,4-dinitroaniline","N-(2,4-dinitrophenyl)-2,4-dinitroaniline",[O-][N+](=O)c1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C12H7N5O8/c18-14(19)7-1-3-9(11(5-7)16(22)23)13-10-4-2-8(15(20)21)6-12(10)17(24)25/h1-6,13H",C12H7N5O8,,,,,,UHWJMXASZSKFEO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.932,220-824-6,2909-79-7,"4-tert-butyl-N,N-dimethylaniline","4-tert-butyl-N,N-dimethylaniline",CN(C)c1ccc(cc1)C(C)(C)C,CN(C)c1ccc(cc1)C(C)(C)C,"InChI=1/C12H19N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5/h6-9H,1-5H3",C12H19N,,,,,,SJDILFZCXQHCRB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.230,245-370-6,22987-21-9,(2-hydroxyethyl)phosphonic acid,(2-hydroxyethyl)phosphonic acid,OCCP(=O)(O)O,OCCP(=O)(O)O,"InChI=1/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)",C2H7O4P,,,,,,SEHJHHHUIGULEI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.231,245-371-1,22990-77-8,Piperidine-2-methylamine,1-piperidin-2-ylmethanamine,NCC1CCCCN1,NCC1CCCCN1,"InChI=1/C6H14N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-5,7H2",C6H14N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6297,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.231,RHPBLLCTOLJFPH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.235,245-375-3,23003-22-7,2-mercaptopyridin-3-ol,2-sulfanylpyridin-3-ol,Oc1cccnc1S,Oc1cccnc1S,"InChI=1/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)",C5H5NOS,,,,,,MARYDOMJDFATPK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.240,245-381-6,23013-82-3,Dipotassium hexachlororuthenate,dipotassium hexachlororuthenate(2-),[K+].[K+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2K.Ru/h6*1H;;;/q;;;;;;2*+1;+6/p-6/rCl6Ru.2K/c1-7(2,3,4,5)6;;/q;2*+1",Cl6Ru.2K,,,,,,XOLNQIIEFUNTQC-UHFFFAOYSA-H,,,,,,,,,,,
100.041.246,245-387-9,23031-36-9,"2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","2-methyl-4-oxo-3-prop-2-yn-1-ylcyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C)C,CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C)C,"InChI=1/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3",C19H24O3,,,,,,SMKRKQBMYOFFMU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.248,245-390-5,23033-97-8,"Diethyl 2-methyl-4,5-dioxo-1,3-cyclopentanecarboxylate","diethyl 2-methyl-4,5-dioxocyclopentane-1,3-dicarboxylate",CCOC(=O)C1C(C)C(C(=O)OCC)C(=O)C1=O,CCOC(=O)C1C(C)C(C(=O)OCC)C(=O)C1=O,"InChI=1/C12H16O6/c1-4-17-11(15)7-6(3)8(10(14)9(7)13)12(16)18-5-2/h6-8H,4-5H2,1-3H3",C12H16O6,,,,,,NYYROUZBOZYRNE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.878,247-181-4,25679-28-1,(Z)-anethole,1-methoxy-4-prop-1-en-1-ylbenzene,COc1ccc(C=CC)cc1,COc1ccc(C=CC)cc1,"InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",C10H12O,,,,,,RUVINXPYWBROJD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.882,247-186-1,25683-71-0,Terizidone,"4,4'-[1,4-phenylenebis(methylylidenenitrilo)]diisoxazolidin-3-one",O=C3NOCC3N=Cc2ccc(C=NC1CONC1=O)cc2,O=C3NOCC3N=Cc2ccc(C=NC1CONC1=O)cc2,"InChI=1/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)",C14H14N4O4,,,,,,ODKYYBOHSVLGNU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.186,221-103-9,3004-42-0,"5-phenyl-1,3,4-oxadiazole-2(3H)-thione","5-phenyl-1,3,4-oxadiazole-2(3H)-thione",S=C1NN=C(O1)c2ccccc2,S=C1NN=C(O1)c2ccccc2,"InChI=1/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)",C8H6N2OS,,,,,,FOHWXVBZGSVUGO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.189,221-107-0,3006-12-0,Ethyl ethyldimethyl-9-octadecenylammonium sulphate,"N-ethyl-N,N-dimethyloctadec-9-en-1-aminium ethyl sulfate",C[N+](C)(CC)CCCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OCC,C[N+](C)(CC)CCCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OCC,"InChI=1/C22H46N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;1-2-6-7(3,4)5/h13-14H,5-12,15-22H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C22H46N.C2H5O4S,,,,,,AKXLMNZSBMMTNL-UHFFFAOYSA-M,,,,,,,,,,,
100.019.199,221-118-0,3007-74-7,N-dodecylaniline,N-dodecylaniline,CCCCCCCCCCCCNc1ccccc1,CCCCCCCCCCCCNc1ccccc1,"InChI=1/C18H31N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3",C18H31N,,,,,,LQKYCMRSWKQVBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.208,221-128-5,3009-13-0,1-[[(3-nitrophenyl)methoxy]methyl]pyridinium chloride,1-{[(3-nitrobenzyl)oxy]methyl}pyridinium chloride,[Cl-].[O-][N+](=O)c1cccc(COC[n+]2ccccc2)c1,[Cl-].[O-][N+](=O)c1cccc(COC[n+]2ccccc2)c1,"InChI=1/C13H13N2O3.ClH/c16-15(17)13-6-4-5-12(9-13)10-18-11-14-7-2-1-3-8-14;/h1-9H,10-11H2;1H/q+1;/p-1",C13H13N2O3.Cl,,,,,,BITDLWAQPKSXTF-UHFFFAOYSA-M,,,,,,,,,,,
100.019.219,221-140-0,3010-96-6,"2,2,4,4-tetramethylcyclobutane-1,3-diol, mixed isomers","2,2,4,4-tetramethylcyclobutane-1,3-diol",CC1(C)C(O)C(C)(C)C1O,CC1(C)C(O)C(C)(C)C1O,"InChI=1/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3",C8H16O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11147,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.219,FQXGHZNSUOHCLO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.221,221-142-1,3011-61-8,"4,6-dinonyl-o-cresol","2-methyl-4,6-dinonylphenol",CCCCCCCCCc1cc(C)c(O)c(CCCCCCCCC)c1,CCCCCCCCCc1cc(C)c(O)c(CCCCCCCCC)c1,"InChI=1/C25H44O/c1-4-6-8-10-12-14-16-18-23-20-22(3)25(26)24(21-23)19-17-15-13-11-9-7-5-2/h20-21,26H,4-19H2,1-3H3",C25H44O,,,,,,SGHSRBYSXCNJLP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.232,221-154-7,3016-76-0,"4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bisphthalic acid","4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphthalic acid",OC(=O)c1ccc(cc1C(=O)O)C(c2ccc(C(=O)O)c(c2)C(=O)O)(C(F)(F)F)C(F)(F)F,OC(=O)c1ccc(cc1C(=O)O)C(c2ccc(C(=O)O)c(c2)C(=O)O)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)",C19H10F6O8,,,,,,APXJLYIVOFARRM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.734,223-907-5,3/10/4116,2-chloro-N-methyl-3-oxobutyramide,2-chloro-N-methyl-3-oxobutanamide,CNC(=O)C(Cl)C(=O)C,CNC(=O)C(Cl)C(=O)C,"InChI=1/C5H8ClNO2/c1-3(8)4(6)5(9)7-2/h4H,1-2H3,(H,7,9)",C5H8ClNO2,,,,,,XIWMZCRVSYHMER-UHFFFAOYSA-N,,,,,,,,,,,
100.017.363,219-098-3,4/03/2358,5-methyl 4-fluoroglutamate,2-amino-4-fluoro-5-methoxy-5-oxopentanoate,COC(=O)C(F)CC(N)C(=O)[O-],COC(=O)C(F)CC(N)C(=O)[O-],"InChI=1/C6H10FNO4/c1-12-6(11)3(7)2-4(8)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)/p-1",C6H10FNO4,,,,,,GVLURWYVNWFDFN-UHFFFAOYSA-M,,,,,,,,,,,
100.017.371,219-107-0,2361-27-5,Thiophene-2-carbohydrazide,thiophene-2-carbohydrazide,NNC(=O)c1cccs1,NNC(=O)c1cccs1,"InChI=1/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)",C5H6N2OS,,,,,,SOGBOGBTIKMGFS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.883,220-770-3,2894-51-1,2-amino-4'-chlorobenzophenone,(2-aminophenyl)(4-chlorophenyl)methanone,Nc1ccccc1C(=O)c2ccc(Cl)cc2,Nc1ccccc1C(=O)c2ccc(Cl)cc2,"InChI=1/C13H10ClNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2",C13H10ClNO,,,,,,APHLSUBLNQBFTM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.887,220-775-0,2895-21-8,2-chloro-N-(1-methylethyl)acetamide,2-chloro-N-isopropylacetamide,CC(C)NC(=O)CCl,CC(C)NC(=O)CCl,"InChI=1/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)",C5H10ClNO,,,,,,GYPNJSBBOATUPK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.888,220-776-6,8/10/2896,Tri-p-tolylarsine,tris(4-methylphenyl)arsine,Cc1ccc(cc1)[As](c2ccc(C)cc2)c3ccc(C)cc3,Cc1ccc(cc1)[As](c2ccc(C)cc2)c3ccc(C)cc3,"InChI=1/C21H21As/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3",C21H21As,,,,,,YFJORWSFSOXFQR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.891,220-779-2,2897-01-0,"N-(2-benzoyl-4-chlorophenyl)-N-(cyclopropylmethyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide","N-(2-benzoyl-4-chlorophenyl)-N-(cyclopropylmethyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide",Clc1ccc(N(CC2CC2)C(=O)CN3C(=O)c4ccccc4C3=O)c(c1)C(=O)c5ccccc5,Clc1ccc(N(CC2CC2)C(=O)CN3C(=O)c4ccccc4C3=O)c(c1)C(=O)c5ccccc5,"InChI=1/C27H21ClN2O4/c28-19-12-13-23(22(14-19)25(32)18-6-2-1-3-7-18)29(15-17-10-11-17)24(31)16-30-26(33)20-8-4-5-9-21(20)27(30)34/h1-9,12-14,17H,10-11,15-16H2",C27H21ClN2O4,,,,,,XZPWMJHFZHMTAE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.887,218-575-3,2186-25-6,[(m-tolyloxy)methyl]oxirane,2-[(3-methylphenoxy)methyl]oxirane,Cc1cccc(OCC2CO2)c1,Cc1cccc(OCC2CO2)c1,"InChI=1/C10H12O2/c1-8-3-2-4-9(5-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3",C10H12O2,,,,,,WYAFQPYCJBLWAS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.894,218-583-7,7/04/2190,Octadecylammonium acetate,octadecan-1-aminium acetate,CCCCCCCCCCCCCCCCCC[NH3+].CC(=O)[O-],CCCCCCCCCCCCCCCCCC[NH3+].CC(=O)[O-],"InChI=1/C18H39N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h2-19H2,1H3;1H3,(H,3,4)",C18H39N.C2H4O2,,,,,,UPHWVVKYDQHTCF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.897,218-586-3,2192-20-3,Hydroxyzine dihydrochloride,2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol dihydrochloride,Cl.Cl.OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,Cl.Cl.OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,"InChI=1/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H",C21H27ClN2O2.2ClH,,,,,,ANOMHKZSQFYSBR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.899,218-588-4,2193-00-2,"5a,6a-epoxy-3ß-hydroxypregnan-20-one","3-hydroxy-5,6-epoxypregnan-20-one",CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C,"InChI=1/C21H32O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h13-18,23H,4-11H2,1-3H3",C21H32O3,,,,,,QLULPRPVLIPVFS-WVFTZONGSA-N,,,,,,,,,,,
100.016.902,218-592-6,2196-13-6,Isonicotinthioamide,pyridine-4-carbothioamide,NC(=S)c1ccncc1,NC(=S)c1ccncc1,"InChI=1/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)",C6H6N2S,,,,,,KPIIGXWUNXGGCP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.909,218-599-4,2198-59-6,N-phenylbenzene-p-diamine monohydrochloride,"N-phenylbenzene-1,4-diamine hydrochloride",Cl.Nc1ccc(Nc2ccccc2)cc1,Cl.Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C12H12N2.ClH/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;/h1-9,14H,13H2;1H",C12H12N2.ClH,,,,,,PNEVDCGZQWFIKV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.912,218-602-9,2198-66-5,2-bromo-4-tert-butylphenol,2-bromo-4-tert-butylphenol,CC(C)(C)c1ccc(O)c(Br)c1,CC(C)(C)c1ccc(O)c(Br)c1,"InChI=1/C10H13BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3",C10H13BrO,,,,,,FFRLMQPMGIMHHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.919,218-610-2,2202-98-4,2-(2-hydroxyethoxy)ethyl hydrogen phthalate,2-{[2-(2-hydroxyethoxy)ethoxy]carbonyl}benzoic acid,OCCOCCOC(=O)c1ccccc1C(=O)O,OCCOCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C12H14O6/c13-5-6-17-7-8-18-12(16)10-4-2-1-3-9(10)11(14)15/h1-4,13H,5-8H2,(H,14,15)",C12H14O6,,,,,,LXGWAXWYTXWSOT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.921,218-612-3,2203-97-6,Hydrocortisone 21-(hydrogen succinate),"4-[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acid",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)",C25H34O8,,,,,,VWQWXZAWFPZJDA-CGVGKPPMSA-N,,,,,,,,,,,
100.016.927,218-619-1,2206-89-5,2-chloroethyl acrylate,2-chloroethyl acrylate,ClCCOC(=O)C=C,ClCCOC(=O)C=C,"InChI=1/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2",C5H7ClO2,,,,,,WHBAYNMEIXUTJV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.005,222-004-3,3314-30-5,1H-benzimidazole-2-carboxaldehyde,1H-benzimidazole-2-carbaldehyde,O=Cc1nc2ccccc2[nH]1,O=Cc1nc2ccccc2[nH]1,"InChI=1/C8H6N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10)",C8H6N2O,,,,,,DQOSJWYZDQIMGM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.010,222-010-6,3317-47-3,2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium trichlorozincate,2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium trichlorozincate(1-),CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.Cl[Zn-](Cl)Cl,CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C16H16Cl2N3O.3ClH.Zn/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;;;;/h5-10H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC16H16Cl2N3O.Cl3Zn/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;1-4(2)3/h5-10H,3-4H2,1-2H3;/q+1;-1",C16H16Cl2N3O.Cl3Zn,,,,,,XDNQMLHSRLYYFI-UHFFFAOYSA-K,,,,,,,,,,,
100.020.012,222-012-7,3317-67-7,"[29H,31H-phthalocyaninato-N29,N30,N31,N32]cobalt","5H,31H-phthalocyanine",N1C2=NC3=NC(=NC4N=C(N=C5N=C(N=C1c6ccccc26)c7ccccc57)c8ccccc48)c9ccccc39,N1C2=NC3=NC(=NC4N=C(N=C5N=C(N=C1c6ccccc26)c7ccccc57)c8ccccc48)c9ccccc39,"InChI=1/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16,25H,(H,33,34,35,36,37,38,39,40)",C32H16CoN8,,,,,,FBRLOHUYELSNCW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.014,222-014-8,3318-43-2,Disodium indol-3-yl phosphate,disodium 1H-indol-3-yl phosphate,[Na+].[Na+].[O-]P(=O)([O-])Oc1c[nH]c2ccccc12,[Na+].[Na+].[O-]P(=O)([O-])Oc1c[nH]c2ccccc12,"InChI=1/C8H8NO4P.2Na/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;;/h1-5,9H,(H2,10,11,12);;/q;2*+1/p-2",C8H8NO4P.2Na,,,,,,WCSKWBKPKXJWEG-UHFFFAOYSA-L,,,,,,,,,,,
100.017.462,219-206-9,2386-64-3,Chloroethylmagnesium,chloro(ethyl)magnesium,CC[Mg]Cl,CC[Mg]Cl,"InChI=1/C2H5.ClH.Mg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1/rC2H5ClMg/c1-2-4-3/h2H2,1H3",C2H5ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10743,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.462,ZWNJJACKPNTXHY-UHFFFAOYSA-M,,,,,,,,,,,
100.017.464,219-209-5,2386-90-5,"2,2'-oxybis-6-oxabicyclo[3.1.0]hexane","2,2'-oxybis(6-oxabicyclo[3.1.0]hexane)",C1CC2OC2C1OC3CCC4OC34,C1CC2OC2C1OC3CCC4OC34,"InChI=1/C10H14O3/c1-3-7-9(12-7)5(1)11-6-2-4-8-10(6)13-8/h5-10H,1-4H2",C10H14O3,,,,,,ADAHGVUHKDNLEB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.465,219-210-0,3/03/2387,2-hydroxynaphthalene-1-carbaldehyde [(2-hydroxy-1-naphthyl)methylene]hydrazone,"1,1'-(hydrazine-1,2-diylidenedimethylylidene)di(2-naphthol)",Oc4ccc1ccccc1c4C=NN=Cc2c3ccccc3ccc2O,Oc4ccc1ccccc1c4C=NN=Cc2c3ccccc3ccc2O,"InChI=1/C22H16N2O2/c25-21-11-9-15-5-1-3-7-17(15)19(21)13-23-24-14-20-18-8-4-2-6-16(18)10-12-22(20)26/h1-14,25-26H",C22H16N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17308,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.465,SYRBOMODLUADBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.467,219-212-1,2387-20-4,1-(2-chloroethyl)imidazolidin-2-one,1-(2-chloroethyl)imidazolidin-2-one,ClCCN1CCNC1=O,ClCCN1CCNC1=O,"InChI=1/C5H9ClN2O/c6-1-3-8-4-2-7-5(8)9/h1-4H2,(H,7,9)",C5H9ClN2O,,,,,,YGSFFDHIYYOVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.469,219-214-2,2387-48-6,"2,6-diamino-5-nitroso-1H-pyrimidin-4-one","2,6-diamino-5-nitrosopyrimidin-4(1H)-one",NC1=NC(=O)C(=C(N)N1)N=O,NC1=NC(=O)C(=C(N)N1)N=O,"InChI=1/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)",C4H5N5O2,,,,,,HVMRLFSFHWCUCG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.471,219-216-3,2388-00-3,Hexaethyldiplumbane,hexaethyldiplumbane,CC[Pb](CC)(CC)[Pb](CC)(CC)CC,CC[Pb](CC)(CC)[Pb](CC)(CC)CC,"InChI=1/6C2H5.2Pb/c6*1-2;;/h6*1H2,2H3;;/rC12H30Pb2/c1-7-13(8-2,9-3)14(10-4,11-5)12-6/h7-12H2,1-6H3",C12H30Pb2,,,,,,DTTVFKVGEOETRX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.473,219-218-4,2388-14-9,p-isopropyl-a-methylstyrene,1-isopropenyl-4-isopropylbenzene,CC(C)c1ccc(cc1)C(=C)C,CC(C)c1ccc(cc1)C(=C)C,"InChI=1/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8,10H,1H2,2-4H3",C12H16,,,,,,XMCNZCCURGYSDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.484,219-231-5,2390-59-2,"[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride","N-(4-{bis[4-(diethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride",[Cl-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC,[Cl-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC,"InChI=1/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1",C31H42N3.Cl,,,,,,JVICFMRAVNKDOE-UHFFFAOYSA-M,,,,,,,,,,,
100.017.487,219-234-1,2390-68-3,Didecyldimethylammonium bromide,"N-decyl-N,N-dimethyldecan-1-aminium bromide",[Br-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,[Br-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,"InChI=1/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1",C22H48N.Br,,,,,,UMGXUWVIJIQANV-UHFFFAOYSA-M,,,,,,,,,,,
100.017.489,219-236-2,9/03/2391,(S)-2-[p-bromo-a-[2-(dimethylamino)ethyl]benzyl]pyridinium (Z)-maleate (1:1),-,CN(C)CC[C@@H](c1ccc(Br)cc1)c2cccc[nH+]2.[O-]C(=O)\\C=C/C(=O)[O-],CN(C)CC[C@@H](c1ccc(Br)cc1)c2cccc[nH+]2.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1",C16H19BrN2.C4H4O4,,,,,,SRGKFVAASLQVBO-DASCVMRKSA-M,,,,,,,,,,,
100.018.933,220-825-1,2909-82-2,4-tert-butyl-o-toluidine,4-tert-butyl-2-methylaniline,Cc1cc(ccc1N)C(C)(C)C,Cc1cc(ccc1N)C(C)(C)C,"InChI=1/C11H17N/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7H,12H2,1-4H3",C11H17N,,,,,,ZPWRNXCIWFCXOL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.936,220-828-8,2914-17-2,Calcium diethanolate,calcium diethanolate,[Ca+2].CC[O-].CC[O-],[Ca+2].CC[O-].CC[O-],"InChI=1/2C2H5O.Ca/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2",C2H6O.1/2Ca,,,,,,JHLCADGWXYCDQA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.938,220-830-9,2914-23-0,Barium methanolate,barium dimethanolate,[Ba+2].C[O-].C[O-],[Ba+2].C[O-].C[O-],InChI=1/2CH3O.Ba/c2*1-2;/h2*1H3;/q2*-1;+2,CH4O.1/2Ba,,,,,,BQDSDRAVKYTTTH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.945,220-838-2,2915-90-4,N-methyldidodecylamine,N-dodecyl-N-methyldodecan-1-amine,CCCCCCCCCCCCN(C)CCCCCCCCCCCC,CCCCCCCCCCCCN(C)CCCCCCCCCCCC,"InChI=1/C25H53N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2/h4-25H2,1-3H3",C25H53N,,,,,,UWHRNIXHZAWBMF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.946,220-839-8,2916-14-5,Allyl chloroacetate,allyl chloroacetate,ClCC(=O)OCC=C,ClCC(=O)OCC=C,"InChI=1/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2",C5H7ClO2,,,,,,VMBJJCDVORDOCF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.933,218-625-4,2207-69-4,"12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione methanesulphonate","12'-hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman methanesulfonate (salt)",CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.CS(=O)(=O)O,CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.CS(=O)(=O)O,"InChI=1/C31H39N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)",C31H39N5O5.xCH4O3S,,,,,,JSSWJSBXBKEBMS-CWNVUFIVSA-N,,,,,,,,,,,
100.016.936,218-629-6,2208-04-0,Choline benzoate,"2-hydroxy-N,N,N-trimethylethanaminium benzoate",C[N+](C)(C)CCO.[O-]C(=O)c1ccccc1,C[N+](C)(C)CCO.[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.C5H14NO/c8-7(9)6-4-2-1-3-5-6;1-6(2,3)4-5-7/h1-5H,(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1",C12H18NO2,,,,,,KQKBQJPEUWKVTG-UHFFFAOYSA-M,,,,,,,,,,,
100.016.937,218-630-1,1/05/2208,2-(dimethylamino)ethyl benzoate,2-(dimethylamino)ethyl benzoate,CN(C)CCOC(=O)c1ccccc1,CN(C)CCOC(=O)c1ccccc1,"InChI=1/C11H15NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",C11H15NO2,,,,,,KJSGODDTWRXQRH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.941,218-634-3,2209-72-5,6-amino-2-methyl-5-nitroso-1H-pyrimidin-4-one,6-amino-2-methyl-5-nitrosopyrimidin-4(1H)-one,CC1=NC(=O)C(=C(N)N1)N=O,CC1=NC(=O)C(=C(N)N1)N=O,"InChI=1/C5H6N4O2/c1-2-7-4(6)3(9-11)5(10)8-2/h1H3,(H3,6,7,8,10)",C5H6N4O2,,,,,,DRDJDNORXOOBHR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.948,218-642-7,2210-64-2,"N-(2,6-dimethylphenyl)pyrrolidine-1-acetamide monohydrochloride","N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide hydrochloride",Cl.Cc1cccc(C)c1NC(=O)CN2CCCC2,Cl.Cc1cccc(C)c1NC(=O)CN2CCCC2,"InChI=1/C14H20N2O.ClH/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16;/h5-7H,3-4,8-10H2,1-2H3,(H,15,17);1H",C14H20N2O.ClH,,,,,,FOZDSRIRBNRBDI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.962,218-657-9,4/10/2212,(chloromethyl)diethoxymethylsilane,"(2-chloro-1,1-diethoxyethyl)silane",CCOC([SiH3])(CCl)OCC,CCOC([SiH3])(CCl)OCC,"InChI=1/C6H15ClO2Si/c1-3-8-6(10,5-7)9-4-2/h3-5H2,1-2,10H3",C6H15ClO2Si,,,,,,HZQPBBNJKSCVDG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.968,218-664-7,2212-81-9,"[1,3-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide","1,3-bis[1-(tert-butylperoxy)-1-methylethyl]benzene",CC(C)(C)OOC(C)(C)c1cccc(c1)C(C)(C)OOC(C)(C)C,CC(C)(C)OOC(C)(C)c1cccc(c1)C(C)(C)OOC(C)(C)C,"InChI=1/C20H34O4/c1-17(2,3)21-23-19(7,8)15-12-11-13-16(14-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3",C20H34O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11708,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.968,UBRWPVTUQDJKCC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.970,218-666-8,2213-43-6,N-piperidylamine,piperidin-1-amine,NN1CCCCC1,NN1CCCCC1,InChI=1/C5H12N2/c6-7-4-2-1-3-5-7/h1-6H2,C5H12N2,,,,,,LWMPFIOTEAXAGV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.974,218-671-5,2213-68-5,"5-methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol","5-methyl-3-(1,1,3,3-tetramethylbutyl)benzene-1,2-diol",Cc1cc(O)c(O)c(c1)C(C)(C)CC(C)(C)C,Cc1cc(O)c(O)c(c1)C(C)(C)CC(C)(C)C,"InChI=1/C15H24O2/c1-10-7-11(13(17)12(16)8-10)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3",C15H24O2,,,,,,KEUANYXDVWBCRM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.976,218-673-6,2213-82-3,"2,5-dichloro-1,3-dinitrobenzene","2,5-dichloro-1,3-dinitrobenzene",[O-][N+](=O)c1cc(Cl)cc(c1Cl)[N+](=O)[O-],[O-][N+](=O)c1cc(Cl)cc(c1Cl)[N+](=O)[O-],InChI=1/C6H2Cl2N2O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,C6H2Cl2N2O4,,,,,,AGGUKALRPKAKSM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.977,218-674-1,2214-28-0,a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl alcohol hydrochloride,"4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol hydrochloride",Cl.CC(CN(C)C)C(O)(Cc1ccccc1)c2ccccc2,Cl.CC(CN(C)C)C(O)(Cc1ccccc1)c2ccccc2,"InChI=1/C19H25NO.ClH/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17;/h4-13,16,21H,14-15H2,1-3H3;1H",C19H25NO.ClH,,,,,,WRHOJMZRFAKSSV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.754,216-229-6,1530-43-4,(diphenylmethyl)triphenylphosphonium chloride,(diphenylmethyl)(triphenyl)phosphonium chloride,[Cl-].c1ccc(cc1)C(c2ccccc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5,[Cl-].c1ccc(cc1)C(c2ccccc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5,"InChI=1/C31H26P.ClH/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,31H;1H/q+1;/p-1",C31H26P.Cl,,,,,,PKMDZVYQEANDCP-UHFFFAOYSA-M,,,,,,,,,,,
100.014.758,216-233-8,1530-87-6,Piperidinocarbonitrile,piperidine-1-carbonitrile,N#CN1CCCCC1,N#CN1CCCCC1,InChI=1/C6H10N2/c7-6-8-4-2-1-3-5-8/h1-5H2,C6H10N2,,,,,,NVPICXQHSYQKGM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.759,216-234-3,1530-88-7,Pyrrolidine-1-carbonitrile,pyrrolidine-1-carbonitrile,N#CN1CCCC1,N#CN1CCCC1,InChI=1/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2,C5H8N2,,,,,,QJRYYOWARFCJQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.769,216-245-3,1533-45-5,"2,2'-(vinylenedi-p-phenylene)bisbenzoxazole","2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole)",o1c(nc2ccccc12)c3ccc(C=Cc4ccc(cc4)c5oc6ccccc6n5)cc3,o1c(nc2ccccc12)c3ccc(C=Cc4ccc(cc4)c5oc6ccccc6n5)cc3,InChI=1/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H,C28H18N2O2,,,,,,ORACIQIJMCYPHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.771,216-247-4,1533-74-0,"2,2'-[[3-acetamido-4-[(4-nitrophenyl)azo]phenyl]imino]diethyl diacetate","({3-acetamido-4-[(4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(c2)NC(C)=O,CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(c2)NC(C)=O,"InChI=1/C22H25N5O7/c1-15(28)23-22-14-20(26(10-12-33-16(2)29)11-13-34-17(3)30)8-9-21(22)25-24-18-4-6-19(7-5-18)27(31)32/h4-9,14H,10-13H2,1-3H3,(H,23,28)",C22H25N5O7,,,,,,SOWPUZMDITYESQ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.777,216-254-2,1534-27-6,Dodecan-3-one,dodecan-3-one,CCCCCCCCCC(=O)CC,CCCCCCCCCC(=O)CC,"InChI=1/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3",C12H24O,,,,,,PERIHWAPLOBAJM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.749,242-641-0,18871-66-4,"1,1-dimethoxyethyl(dimethyl)amine","1,1-dimethoxy-N,N-dimethylethanamine",COC(C)(OC)N(C)C,COC(C)(OC)N(C)C,"InChI=1/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3",C6H15NO2,,,,,,FBZVZUSVGKOWHG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.876,242-780-7,19045-77-3,Dipotassium dodecyl phosphate,dipotassium dodecyl phosphate,[K+].[K+].CCCCCCCCCCCCOP(=O)([O-])[O-],[K+].[K+].CCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C12H27O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h2-12H2,1H3,(H2,13,14,15);;/q;2*+1/p-2",C12H27O4P.2K,,,,,,GWTCIAGIKURVBJ-UHFFFAOYSA-L,,,,,,,,,,,
100.038.877,242-781-2,19045-78-4,Potassium dioctyl phosphate,potassium dioctyl phosphate,[K+].CCCCCCCCOP(=O)([O-])OCCCCCCCC,[K+].CCCCCCCCOP(=O)([O-])OCCCCCCCC,"InChI=1/C16H35O4P.K/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1",C16H35O4P.K,,,,,,BEBZGUYUDTXNSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.038.886,242-791-7,19059-68-8,"3-(dimethylamino)-2,2-dimethylpropan-1-ol","3-(dimethylamino)-2,2-dimethylpropan-1-ol",CN(C)CC(C)(C)CO,CN(C)CC(C)(C)CO,"InChI=1/C7H17NO/c1-7(2,6-9)5-8(3)4/h9H,5-6H2,1-4H3",C7H17NO,,,,,,PYEWZDAEJUUIJX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.887,242-792-2,19064-18-7,"2,6-difluorobenzyl alcohol","(2,6-difluorophenyl)methanol",OCc1c(F)cccc1F,OCc1c(F)cccc1F,"InChI=1/C7H6F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2",C7H6F2O,,,,,,LVICICZQETYOGS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.906,242-814-0,19094-75-8,6-chloro-o-tolyloxyacetic acid,(2-chloro-6-methylphenoxy)acetic acid,Cc1cccc(Cl)c1OCC(=O)O,Cc1cccc(Cl)c1OCC(=O)O,"InChI=1/C9H9ClO3/c1-6-3-2-4-7(10)9(6)13-5-8(11)12/h2-4H,5H2,1H3,(H,11,12)",C9H9ClO3,,,,,,WHLKFTSLSDHFMU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.910,242-818-2,19098-16-9,Hydroxylammonium dihydrogen phosphate,hydroxyammonium dihydrogen phosphate,[NH3+]O.[O-]P(=O)([O-])[O-],[NH3+]O.[O-]P(=O)([O-])[O-],"InChI=1/H4NO.H3O4P/c1-2;1-5(2,3)4/h2H,1H3;(H3,1,2,3,4)/q+1;/p-3",H3NO.H3O4P,,,,,,GDADABDDYIXLOL-UHFFFAOYSA-K,,,,,,,,,,,
100.038.915,242-824-5,19115-57-2,"N,N-bis(2,3-epoxypropyl)isopropylamine","N,N-bis(oxiran-2-ylmethyl)propan-2-amine",CC(C)N(CC1CO1)CC2CO2,CC(C)N(CC1CO1)CC2CO2,"InChI=1/C9H17NO2/c1-7(2)10(3-8-5-11-8)4-9-6-12-9/h7-9H,3-6H2,1-2H3",C9H17NO2,,,,,,DXAUPHVMJXKRRE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.888,247-192-4,25704-81-8,"Dibromo-16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione","1,2-dibromo-16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",COc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccc(Br)c(Br)c8c9cc(OC)c(c1c5c24)c6c79,COc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccc(Br)c(Br)c8c9cc(OC)c(c1c5c24)c6c79,"InChI=1/C36H18Br2O4/c1-41-25-13-22-15-5-3-4-6-18(15)35(39)19-9-7-16-17-8-10-20-28-23(29-21(36(20)40)11-12-24(37)34(29)38)14-26(42-2)33(31(17)28)32(25)30(16)27(19)22/h3-14H,1-2H3",C36H18Br2O4,,,,,,AVWSGMMOWQCYNR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.894,247-199-2,25710-96-7,Zirconium(4+) propionate,zirconium(4+) tetrapropanoate,[Zr+4].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-],[Zr+4].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/4C3H6O2.Zr/c4*1-2-3(4)5;/h4*2H2,1H3,(H,4,5);/q;;;;+4/p-4",C3H6O2.1/4Zr,,,,,,RITQSUMSRSHZLF-UHFFFAOYSA-J,,,,,,,,,,,
100.016.928,218-620-7,2206-94-2,a-methylenebenzyl acetate,1-phenylvinyl acetate,CC(=O)OC(=C)c1ccccc1,CC(=O)OC(=C)c1ccccc1,"InChI=1/C10H10O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-7H,1H2,2H3",C10H10O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16573,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.928,HWCUCNKPBMGSSC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.931,218-623-3,2207-27-4,"1,2,3,4-tetrachloro-5,5-dimethoxycyclopenta-1,3-diene","1,2,3,4-tetrachloro-5,5-dimethoxycyclopenta-1,3-diene",COC1(OC)C(=C(Cl)C(=C1Cl)Cl)Cl,COC1(OC)C(=C(Cl)C(=C1Cl)Cl)Cl,InChI=1/C7H6Cl4O2/c1-12-7(13-2)5(10)3(8)4(9)6(7)11/h1-2H3,C7H6Cl4O2,,,,,,UHSMEJQTFMHABA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.932,218-624-9,2207-68-3,1-(4-nitrophenyl)glycerol,"3-(4-nitrophenoxy)propane-1,2-diol",OCC(O)COc1ccc(cc1)[N+](=O)[O-],OCC(O)COc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H11NO5/c11-5-8(12)6-15-9-3-1-7(2-4-9)10(13)14/h1-4,8,11-12H,5-6H2",C9H11NO5,,,,,,YERGZLQRVWFVAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.315,222-345-8,3438-48-0,4-phenylpyrimidine,4-phenylpyrimidine,c1ccc(cc1)c2ccncn2,c1ccc(cc1)c2ccncn2,InChI=1/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H,C10H8N2,,,,,,MKLQPIYLZMLAER-UHFFFAOYSA-N,,,,,,,,,,,
100.020.327,222-358-9,3445-00-9,4-(3-chloropropyl)piperazine-1-ethanol dihydrochloride,2-[4-(3-chloropropyl)piperazin-1-yl]ethanol dihydrochloride,Cl.Cl.OCCN1CCN(CCCCl)CC1,Cl.Cl.OCCN1CCN(CCCCl)CC1,"InChI=1/C9H19ClN2O.2ClH/c10-2-1-3-11-4-6-12(7-5-11)8-9-13;;/h13H,1-9H2;2*1H",C9H19ClN2O.2ClH,,,,,,GFJQEKFGLWJWDN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.329,222-361-5,3445-52-1,5-methylisoxazole-3-carboxamide,5-methylisoxazole-3-carboxamide,Cc1onc(c1)C(=O)N,Cc1onc(c1)C(=O)N,"InChI=1/C5H6N2O2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3,(H2,6,8)",C5H6N2O2,,,,,,KBOSIRPMGVGOEP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.334,222-366-2,3447-79-8,4-(2-acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one,4-(2-acetyl-3-methyl-1-benzofuran-5-yl)furan-2(5H)-one,CC(=O)c1oc2ccc(cc2c1C)C3=CC(=O)OC3,CC(=O)c1oc2ccc(cc2c1C)C3=CC(=O)OC3,"InChI=1/C15H12O4/c1-8-12-5-10(11-6-14(17)18-7-11)3-4-13(12)19-15(8)9(2)16/h3-6H,7H2,1-2H3",C15H12O4,,,,,,NVRKEBYMSCNBSF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.336,222-368-3,2/12/3448,"(tetrahydro-3-thienyl)hydrazine S,S-dioxide","(1,1-dioxidotetrahydrothiophen-3-yl)hydrazine",NNC1CCS(=O)(=O)C1,NNC1CCS(=O)(=O)C1,"InChI=1/C4H10N2O2S/c5-6-4-1-2-9(7,8)3-4/h4,6H,1-3,5H2",C4H10N2O2S,,,,,,DBBOTJJFLMUEIN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.342,222-375-1,3/09/3452,Non-1-yne,non-1-yne,CCCCCCCC#C,CCCCCCCC#C,"InChI=1/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3",C9H16,,,,,,OSSQSXOTMIGBCF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.345,222-378-8,3453-79-0,Aluminium 2-methylpropanolate,aluminum tris(2-methylpropan-1-olate),[Al+3].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-],[Al+3].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-],"InChI=1/3C4H9O.Al/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3",C4H10O.1/3Al,,,,,,DAOVYDBYKGXFOB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.352,222-386-1,3457-37-2,Oxalimidohydrazide,2-hydrazino-2-iminoacetohydrazide,NNC(=N)C(=O)NN,NNC(=N)C(=O)NN,"InChI=1/C2H7N5O/c3-1(6-4)2(8)7-5/h4-5H2,(H2,3,6)(H,7,8)",C2H8N6,,,,,,JZXXOVDDKQSHDC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.896,221-885-1,3/12/3269,Dieuropium trioxalate,dieuropium trioxalate,[Eu+2].[Eu+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Eu+2].[Eu+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Eu/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+2/p-6",C6Eu2O12,,,,,,MHBVKTLPWZILQB-UHFFFAOYSA-H,,,,,,,,,,,
100.019.898,221-887-2,3269-17-8,Thulium(3+) oxalate,thulium(3+) oxalate,[Tm+3].[Tm+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Tm+3].[Tm+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Tm/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C2H2O4.2/3Tm,,,,,,BSCZSHAJTJRUPP-UHFFFAOYSA-H,,,,,,,,,,,
100.019.899,221-888-8,3269-83-8,Pheniramine 4-aminosalicylate,"4-amino-2-hydroxybenzoic acid - N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (1:1)",CN(C)CCC(c1ccccc1)c2ccccn2.Nc3ccc(C(=O)O)c(O)c3,CN(C)CCC(c1ccccc1)c2ccccn2.Nc3ccc(C(=O)O)c(O)c3,"InChI=1/C16H20N2.C7H7NO3/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;8-4-1-2-5(7(10)11)6(9)3-4/h3-10,12,15H,11,13H2,1-2H3;1-3,9H,8H2,(H,10,11)",C16H20N2.C7H7NO3,,,,,,OJAJSEABEYJWLC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.900,221-889-3,3269-90-7,4-methyl-ß-methylenecyclohex-3-ene-1-ethanol,2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol,CC1=CCC(CC1)C(=C)CO,CC1=CCC(CC1)C(=C)CO,"InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3",C10H16O,,,,,,UIMAEYMKYMNCGW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.902,221-891-4,3270-73-3,"1,1'-(ethylenediimino)dipropan-2-ol","1,1'-(ethane-1,2-diyldiimino)dipropan-2-ol",CC(O)CNCCNCC(C)O,CC(O)CNCCNCC(C)O,"InChI=1/C8H20N2O2/c1-7(11)5-9-3-4-10-6-8(2)12/h7-12H,3-6H2,1-2H3",C8H20N2O2,,,,,,NXNQLKPBPWLUSX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.903,221-893-5,3270-74-4,"Tetrahydro-1,3-bis(hydroxymethyl)-1H-pyrimidin-2-one","1,3-bis(hydroxymethyl)tetrahydropyrimidin-2(1H)-one",OCN1CCCN(CO)C1=O,OCN1CCCN(CO)C1=O,"InChI=1/C6H12N2O3/c9-4-7-2-1-3-8(5-10)6(7)11/h9-10H,1-5H2",C6H12N2O3,,,,,,IQDKUTQPYBHPJK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.491,219-238-3,2391-30-2,"Sodium 6-amino-2,3-dihydro-1,3-dioxo-2-(p-tolyl)-1H-benz[de]isoquinoline-5-sulphonate","sodium 6-amino-2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonate",[Na+].Cc1ccc(cc1)N2C(=O)c3cccc4c(N)c(cc(C2=O)c34)S(=O)(=O)[O-],[Na+].Cc1ccc(cc1)N2C(=O)c3cccc4c(N)c(cc(C2=O)c34)S(=O)(=O)[O-],"InChI=1/C19H14N2O5S.Na/c1-10-5-7-11(8-6-10)21-18(22)13-4-2-3-12-16(13)14(19(21)23)9-15(17(12)20)27(24,25)26;/h2-9H,20H2,1H3,(H,24,25,26);/q;+1/p-1",C19H14N2O5S.Na,,,,,,HYLDLLCHFLSKAG-UHFFFAOYSA-M,,,,,,,,,,,
100.017.492,219-239-9,2391-46-0,Adenylyl-(3'<U+2192>5')-adenosine,-,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC4C(CO)OC(C4O)n5cnc6c(N)ncnc56)C(O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC4C(CO)OC(C4O)n5cnc6c(N)ncnc56)C(O)C3O,"InChI=1/C20H25N10O10P/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(39-19)2-37-41(35,36)40-14-7(1-31)38-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H2,21,23,25)(H2,22,24,26)",C20H25N10O10P,,,,,,UYSXBCQACJTYFS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.495,219-243-0,2392-39-4,Dexamethasone 21-(disodium phosphate),"disodium 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate",[Na+].[Na+].C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-],[Na+].[Na+].C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-],"InChI=1/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2",C22H30FO8P.2Na,,,,,,PLCQGRYPOISRTQ-FCJDYXGNSA-L,,,,,,,,,,,
100.019.002,220-901-4,2931-90-0,4-hydroxy-5-methoxyisophthalaldehyde,4-hydroxy-5-methoxyisophthalaldehyde,COc1cc(C=O)cc(C=O)c1O,COc1cc(C=O)cc(C=O)c1O,"InChI=1/C9H8O4/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-5,12H,1H3",C9H8O4,,,,,,YVNRFQCFZVYDRO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.010,218-710-6,2217-33-6,(tetrahydro-2-furyl)methyl butyrate,tetrahydrofuran-2-ylmethyl butyrate,CCCC(=O)OCC1CCCO1,CCCC(=O)OCC1CCCO1,"InChI=1/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3",C9H16O3,,,,,,DPZVDLFOAZNCBU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.019,218-720-0,2218-52-2,Sodium difluoroacetate,sodium difluoroacetate,[Na+].[O-]C(=O)C(F)F,[Na+].[O-]C(=O)C(F)F,"InChI=1/C2H2F2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1",C2H2F2O2.Na,,,,,,PFYAMVWLZDZJOQ-UHFFFAOYSA-M,,,,,,,,,,,
100.017.025,218-726-3,2219-18-3,Sodium diisobutyldithiocarbamate,sodium diisobutyldithiocarbamate,[Na+].CC(C)CN(CC(C)C)C(=S)[S-],[Na+].CC(C)CN(CC(C)C)C(=S)[S-],"InChI=1/C9H19NS2.Na/c1-7(2)5-10(9(11)12)6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,11,12);/q;+1/p-1",C9H19NS2.Na,,,,,,IUAIJFLWVIJYQA-UHFFFAOYSA-M,,,,,,,,,,,
100.017.029,218-731-0,2219-66-1,"1,4-dibromobut-2-yne","1,4-dibromobut-2-yne",BrCC#CCBr,BrCC#CCBr,InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H2,C4H4Br2,,,,,,SAJMJXZROMTSEF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.032,218-734-7,2219-82-1,6-tert-butyl-o-cresol,2-tert-butyl-6-methylphenol,Cc1cccc(c1O)C(C)(C)C,Cc1cccc(c1O)C(C)(C)C,"InChI=1/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3",C11H16O,,,,,,BKZXZGWHTRCFPX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.037,218-739-4,2223-71-4,"8-tert-butyl-1,4-dioxaspiro[4.5]decane","8-tert-butyl-1,4-dioxaspiro[4.5]decane",CC(C)(C)C1CCC2(CC1)OCCO2,CC(C)(C)C1CCC2(CC1)OCCO2,"InChI=1/C12H22O2/c1-11(2,3)10-4-6-12(7-5-10)13-8-9-14-12/h10H,4-9H2,1-3H3",C12H22O2,,,,,,SCKWSYISXZVCQC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.038,218-741-5,2223-82-7,"2,2-dimethyl-1,3-propanediyl diacrylate","2,2-dimethylpropane-1,3-diyl bisacrylate",CC(C)(COC(=O)C=C)COC(=O)C=C,CC(C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C11H16O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-6H,1-2,7-8H2,3-4H3",C11H16O4,,,,,,MXFQRSUWYYSPOC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.043,218-746-2,2224-15-9,"2,2'-[ethylenebis(oxymethylene)]bisoxirane","2,2'-[ethane-1,2-diylbis(oxymethylene)]dioxirane",C(COCC1CO1)OCC2CO2,C(COCC1CO1)OCC2CO2,"InChI=1/C8H14O4/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-8H,1-6H2",C8H14O4,,,,,,AOBIOSPNXBMOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.045,218-748-3,2224-44-4,4-(2-nitrobutyl)morpholine,4-(2-nitrobutyl)morpholine,CCC(CN1CCOCC1)[N+](=O)[O-],CCC(CN1CCOCC1)[N+](=O)[O-],"InChI=1/C8H16N2O3/c1-2-8(10(11)12)7-9-3-5-13-6-4-9/h8H,2-7H2,1H3",C8H16N2O3,,,,,,GQHVWDKJTDUZRP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.048,218-752-5,2225-23-2,"Ethylene S,S'-4-toluenethiosulphonate","S,S'-ethane-1,2-diyl bis(4-methylbenzenesulfonothioate)",Cc1ccc(cc1)S(=O)(=O)SCCSS(=O)(=O)c2ccc(C)cc2,Cc1ccc(cc1)S(=O)(=O)SCCSS(=O)(=O)c2ccc(C)cc2,"InChI=1/C16H18O4S4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3",C16H18O4S4,,,,,,DUFUGAKEFZRFEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.050,218-754-6,1/03/2226,"2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate","2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate",CC2(C)C1CCC(C1)C2=CCOC(C)=O,CC2(C)C1CCC(C1)C2=CCOC(C)=O,"InChI=1/C13H20O2/c1-9(14)15-7-6-12-10-4-5-11(8-10)13(12,2)3/h6,10-11H,4-5,7-8H2,1-3H3",C13H20O2,,,,,,DVZKEXVVDIXSMK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.053,218-757-2,1/11/2226,Bornelone,"5-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)pent-3-en-2-one",CC2(C)C1CCC(C1)C2=CC=CC(C)=O,CC2(C)C1CCC(C1)C2=CC=CC(C)=O,"InChI=1/C14H20O/c1-10(15)5-4-6-13-11-7-8-12(9-11)14(13,2)3/h4-6,11-12H,7-9H2,1-3H3",C14H20O,,,,,,WDMFHQNUSVLQMS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.359,222-394-5,3458-72-8,Triammonium citrate,triammonium citrate,[NH4+].[NH4+].[NH4+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[NH4+].[NH4+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3",C6H8O7.3H3N,,,,,,YWYZEGXAUVWDED-UHFFFAOYSA-N,,,,,,,,,,,
100.020.364,222-399-2,3459-20-9,Glymidine sodium,-,[Na+].COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1,[Na+].COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1,"InChI=1/C13H15N3O4S.Na/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12;/h2-6,9-10H,7-8H2,1H3,(H,14,15,16);/q;+1",C13H15N3O4S.Na,,,,,,ILXDTRQNTSANCL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.369,222-404-8,3460-18-2,"1,4-dibromo-2-nitrobenzene","1,4-dibromo-2-nitrobenzene",[O-][N+](=O)c1cc(Br)ccc1Br,[O-][N+](=O)c1cc(Br)ccc1Br,InChI=1/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,C6H3Br2NO2,,,,,,WRGKKASJBOREMB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.370,222-405-3,3460-29-5,"4-nitro-2,5-xylidine","2,5-dimethyl-4-nitroaniline",Cc1cc(c(C)cc1N)N(=O)=O,Cc1cc(c(C)cc1N)N(=O)=O,"InChI=1/C8H10N2O2/c1-5-4-8(10(11)12)6(2)3-7(5)9/h3-4H,9H2,1-2H3",C8H10N2O2,,,,,,PJAGNJQUIUEGKP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.374,222-410-0,3460-49-9,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanatobenzene,CCOc1ccc(cc1)/N=C=S,CCOc1ccc(cc1)/N=C=S,"InChI=1/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3",C9H9NOS,,,,,,REEKOMRZYJXXNR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.881,224-068-8,4190-05-0,"[1,1'-biphenyl]-2,3',4-triol","biphenyl-2,3',4-triol",Oc1ccc(c(O)c1)c2cccc(O)c2,Oc1ccc(c(O)c1)c2cccc(O)c2,"InChI=1/C12H10O3/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15/h1-7,13-15H",C12H10O3,,,,,,HYFWTVWZCZMWEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.887,224-075-6,5/08/4194,"N-1,2,3-thiadiazol-5-ylacetamide","N-1,2,3-thiadiazol-5-ylacetamide",CC(=O)Nc1cnns1,CC(=O)Nc1cnns1,"InChI=1/C4H5N3OS/c1-3(8)6-4-2-5-7-9-4/h2H,1H3,(H,6,8)",C4H5N3OS,,,,,,AAKQQOBKHPTSIS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.890,224-078-2,4195-88-4,Butyl 3-methoxypropionate,butyl 3-methoxypropanoate,CCCCOC(=O)CCOC,CCCCOC(=O)CCOC,"InChI=1/C8H16O3/c1-3-4-6-11-8(9)5-7-10-2/h3-7H2,1-2H3",C8H16O3,,,,,,RRIRSNXZGJWTQM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.895,224-084-5,4196-99-0,"Sodium 6-(2-hydroxynaphthylazo)-3,4'-azodibenzenesulphonate",disodium 2-[(2-hydroxy-1-naphthyl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc2c3ccccc3ccc2O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc2c3ccccc3ccc2O)c(c4)S([O-])(=O)=O,"InChI=1/C22H16N4O7S2.2Na/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C22H16N4O7S2.2Na,,,,,,VVAVKBBTPWYADW-UHFFFAOYSA-L,,,,,,,,,,,
100.021.902,224-091-3,4198-19-0,"Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate]","tetrasodium 3,3'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H26N4O18S4.4Na/c1-55-25-9-15(3-5-21(25)35-37-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-23(39)29(17)33(31)41)16-4-6-22(26(10-16)56-2)36-38-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-24(40)30(18)34(32)42;;;;/h3-14,39-42H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H26N4O18S4.4Na,,,,,,JRSUTLDDNLWTTA-UHFFFAOYSA-J,,,,,,,,,,,
100.019.947,221-941-5,5/12/3287,"Dihexadecyl 3,3'-thiobispropionate","dihexadecyl 3,3'-sulfanediyldipropanoate",CCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C38H74O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41-37(39)31-35-43-36-32-38(40)42-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C38H74O4S,,,,,,IXDBUVCZCLQKJF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.948,221-942-0,3287-84-1,"Potassium O,O-dipropyl dithiophosphate","potassium O,O-dipropyl dithiophosphate",[K+].CCCOP(=S)([S-])OCCC,[K+].CCCOP(=S)([S-])OCCC,"InChI=1/C6H15O2PS2.K/c1-3-5-7-9(10,11)8-6-4-2;/h3-6H2,1-2H3,(H,10,11);/q;+1/p-1",C6H15O2PS2.K,,,,,,LZNUYZGMDUNHCM-UHFFFAOYSA-M,,,,,,,,,,,
100.019.949,221-943-6,3287-99-8,Benzylammonium chloride,phenylmethanaminium chloride,[Cl-].[NH3+]Cc1ccccc1,[Cl-].[NH3+]Cc1ccccc1,"InChI=1/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H",C7H9N.ClH,,,,,,XKXHCNPAFAXVRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.951,221-945-7,3289-28-9,Ethyl cyclohexanecarboxylate,ethyl cyclohexanecarboxylate,CCOC(=O)C1CCCCC1,CCOC(=O)C1CCCCC1,"InChI=1/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3",C9H16O2,,,,,,JJOYCHKVKWDMEA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.952,221-946-2,3289-50-7,"2,6-dimethoxypyrimidin-4-amine","2,6-dimethoxypyrimidin-4-amine",COc1cc(N)nc(OC)n1,COc1cc(N)nc(OC)n1,"InChI=1/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)",C6H9N3O2,,,,,,LNTJJKHTAZFVJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.895,247-200-6,25711-26-6,"5,5,12,12-tetrabutyl-8-methylene-7,10-dioxo-6,11-dioxa-5,12-distannahexadecane","5,5,12,12-tetrabutyl-8-methylene-7,10-dioxo-6,11-dioxa-5,12-distannahexadecane",CCCC[Sn](CCCC)(CCCC)OC(=O)CC(=C)C(=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OC(=O)CC(=C)C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C5H6O4.6C4H9.2Sn/c1-3(5(8)9)2-4(6)7;6*1-3-4-2;;/h1-2H2,(H,6,7)(H,8,9);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC29H58O4Sn2/c1-8-14-20-34(21-15-9-2,22-16-10-3)32-28(30)26-27(7)29(31)33-35(23-17-11-4,24-18-12-5)25-19-13-6/h7-26H2,1-6H3",C29H58O4Sn2,,,,,,HCYQUDAPBSFLSL-UHFFFAOYSA-L,,,,,,,,,,,
100.042.906,247-212-1,25727-91-7,4-hexadecylmorpholine,4-hexadecylmorpholine,CCCCCCCCCCCCCCCCN1CCOCC1,CCCCCCCCCCCCCCCCN1CCOCC1,"InChI=1/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22-20-18-21/h2-20H2,1H3",C20H41NO,,,,,,JCTYXESWNZITDY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.908,247-214-2,25727-94-0,4-decylmorpholine,4-decylmorpholine,CCCCCCCCCCN1CCOCC1,CCCCCCCCCCN1CCOCC1,"InChI=1/C14H29NO/c1-2-3-4-5-6-7-8-9-10-15-11-13-16-14-12-15/h2-14H2,1H3",C14H29NO,,,,,,KAXVRMIUQJXONY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.912,247-218-4,25737-87-5,2-(tetradecylamino)ethanol,2-(tetradecylamino)ethanol,CCCCCCCCCCCCCCNCCO,CCCCCCCCCCCCCCNCCO,"InChI=1/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18/h17-18H,2-16H2,1H3",C16H35NO,,,,,,ZUEIVCHBEQAIAL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.913,247-220-5,25738-24-3,"3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonic acid","3-({4-[({4-[(4,8-disulfo-2-naphthyl)diazenyl]-3-methylphenyl}carbamoyl)amino]-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonic acid",OS(=O)(=O)c6cccc1c6cc(cc1S(O)(=O)=O)N=Nc2ccc(cc2C)NC(=O)Nc5ccc(N=Nc4cc3c(cccc3c(c4)S(O)(=O)=O)S(O)(=O)=O)c(C)c5,OS(=O)(=O)c6cccc1c6cc(cc1S(O)(=O)=O)N=Nc2ccc(cc2C)NC(=O)Nc5ccc(N=Nc4cc3c(cccc3c(c4)S(O)(=O)=O)S(O)(=O)=O)c(C)c5,"InChI=1/C35H28N6O13S4/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",C35H28N6O13S4,,,,,,XFUDRSZJCBDNPN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.920,247-227-3,25743-99-1,3-aminophenyl dimethylsulphamate,3-aminophenyl dimethylsulfamate,CN(C)S(=O)(=O)Oc1cccc(N)c1,CN(C)S(=O)(=O)Oc1cccc(N)c1,"InChI=1/C8H12N2O3S/c1-10(2)14(11,12)13-8-5-3-4-7(9)6-8/h3-6H,9H2,1-2H3",C8H12N2O3S,,,,,,YQIMOZJQJCPIHG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.238,221-161-5,3/04/3019,1-iodoacetone,1-iodoacetone,CC(=O)CI,CC(=O)CI,"InChI=1/C3H5IO/c1-3(5)2-4/h2H2,1H3",C3H5IO,,,,,,WEFSXBPMNKAUDL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.245,221-168-3,2/06/3020,"3,4-xylylacetonitrile","(3,4-dimethylphenyl)acetonitrile",Cc1ccc(CC#N)cc1C,Cc1ccc(CC#N)cc1C,"InChI=1/C10H11N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,7H,5H2,1-2H3",C10H11N,,,,,,XNSHCUIBMZSUGL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.246,221-169-9,3021-21-4,"6-thioinosine 2',3',5'-triacetate","9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-6-thiol",CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)n2cnc3c(S)ncnc23,CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)n2cnc3c(S)ncnc23,"InChI=1/C16H18N4O7S/c1-7(21)24-4-10-12(25-8(2)22)13(26-9(3)23)16(27-10)20-6-19-11-14(20)17-5-18-15(11)28/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,28)",C16H18N4O7S,,,,,,MENHRYRSGYYUJA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.750,222-824-1,3623-51-6,(±)-neomenthol,2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.757,222-832-5,3625-57-8,Bis[5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium] sulphate,bis[5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium] sulfate,CCN(CC)c1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1.CCN(CC)c5ccc6nc7c(cc(N)c8ccccc78)[o+]c6c5.[O-]S(=O)(=O)[O-],CCN(CC)c1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1.CCN(CC)c5ccc6nc7c(cc(N)c8ccccc78)[o+]c6c5.[O-]S(=O)(=O)[O-],"InChI=1/2C20H20N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12H,3-4,21H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",C20H20N3O.1/2O4S,,,,,,XZPFCLQILQGYED-UHFFFAOYSA-L,,,,,,,,,,,
100.020.763,222-838-8,3626-36-6,"Disodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate]",disodium 4-hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonato-2-naphthyl]carbamoyl}amino)-3-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5)c6O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5)c6O)S([O-])(=O)=O,"InChI=1/C33H24N6O9S2.2Na/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22;;/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C33H24N6O9S2.2Na,,,,,,DSARWKALPGYFTA-UHFFFAOYSA-L,,,,,,,,,,,
100.019.905,221-895-6,4/05/3271,"6-methoxy-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione","6-methoxy-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione",COc1ccc2C(=O)N(C)C(=O)c3cccc1c23,COc1ccc2C(=O)N(C)C(=O)c3cccc1c23,"InChI=1/C14H11NO3/c1-15-13(16)9-5-3-4-8-11(18-2)7-6-10(12(8)9)14(15)17/h3-7H,1-2H3",C14H11NO3,,,,,,CNUWYNDMLFVRBU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.907,221-897-7,3271-76-9,"Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione","anthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15(16H)-trione",O=C1c2ccccc2C(=O)c3c4Nc5ccc6c7ccccc7C(=O)c8ccc(c4ccc13)c5c68,O=C1c2ccccc2C(=O)c3c4Nc5ccc6c7ccccc7C(=O)c8ccc(c4ccc13)c5c68,"InChI=1/C31H15NO3/c33-29-19-6-2-1-5-15(19)16-13-14-24-26-17(9-11-22(29)25(16)26)18-10-12-23-27(28(18)32-24)31(35)21-8-4-3-7-20(21)30(23)34/h1-14,32H",C31H15NO3,,,,,,HHKPGQSPFVLKMV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.909,221-899-8,3272-08-0,4-hydroxy-3-nitrobenzonitrile,4-hydroxy-3-nitrobenzonitrile,Oc1ccc(cc1[N+](=O)[O-])C#N,Oc1ccc(cc1[N+](=O)[O-])C#N,"InChI=1/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H",C7H4N2O3,,,,,,INBLGVOPOSGVTA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.914,221-904-3,3275-24-9,Titanium tetrakis(dimethylammonium),titanium tetrakis(dimethylammonium),[Ti+2].C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C,[Ti+2].C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C,"InChI=1/4C2H7N.Ti/c4*1-3-2;/h4*3H,1-2H3;/q;;;;+2/p+4",C2H7N.1/4Ti,,,,,,RPGAOTSRXAZBLO-UHFFFAOYSA-R,,,,,,,,,,,
100.019.917,221-908-5,3277-78-9,Cyclohexyl m-tolyl ketone,cyclohexyl(3-methylphenyl)methanone,Cc1cccc(c1)C(=O)C2CCCCC2,Cc1cccc(c1)C(=O)C2CCCCC2,"InChI=1/C14H18O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3",C14H18O,,,,,,QGCLTCPKWGVNFG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.922,221-913-2,3278-89-5,"2-(allyloxy)-1,3,5-tribromobenzene","2-(allyloxy)-1,3,5-tribromobenzene",Brc1cc(Br)c(OCC=C)c(Br)c1,Brc1cc(Br)c(OCC=C)c(Br)c1,"InChI=1/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2",C9H7Br3O,,,,,,RZLLIOPGUFOWOD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.926,221-917-4,3279-54-7,Disodium phenyl phosphate,disodium phenyl phosphate,[Na+].[Na+].[O-]P(=O)([O-])Oc1ccccc1,[Na+].[Na+].[O-]P(=O)([O-])Oc1ccccc1,"InChI=1/C6H7O4P.2Na/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;2*+1/p-2",C6H7O4P.2Na,,,,,,TYJOJLOWRIQYQM-UHFFFAOYSA-L,,,,,,,,,,,
100.019.933,221-925-8,3282-85-7,"Sodium 3,9-diethyltridecan-6-yl sulphate",sodium 4-ethyl-1-(3-ethylpentyl)octyl sulfate,[Na+].CCCCC(CC)CCC(CCC(CC)CC)OS(=O)(=O)[O-],[Na+].CCCCC(CC)CCC(CCC(CC)CC)OS(=O)(=O)[O-],"InChI=1/C17H36O4S.Na/c1-5-9-10-16(8-4)12-14-17(21-22(18,19)20)13-11-15(6-2)7-3;/h15-17H,5-14H2,1-4H3,(H,18,19,20);/q;+1/p-1",C17H36O4S.Na,,,,,,DJIKQWNNMSCYPY-UHFFFAOYSA-M,,,,,,,,,,,
100.019.934,221-926-3,3282-99-3,"4,4'-cyclohexylidenedianiline","4,4'-cyclohexane-1,1-diyldianiline",Nc1ccc(cc1)C2(CCCCC2)c3ccc(N)cc3,Nc1ccc(cc1)C2(CCCCC2)c3ccc(N)cc3,"InChI=1/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2",C18H22N2,,,,,,ZSQIQUAKDNTQOI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.937,221-930-5,9/07/3284,Hexaphenylcyclodisilazane,"1,2,2,3,4,4-hexaphenyl-1,3,2,4-diazadisiletidine",c1ccc(cc1)N2[Si](N(c3ccccc3)[Si]2(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7,c1ccc(cc1)N2[Si](N(c3ccccc3)[Si]2(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7,"InChI=1/C36H30N2Si2/c1-7-19-31(20-8-1)37-39(33-23-11-3-12-24-33,34-25-13-4-14-26-34)38(32-21-9-2-10-22-32)40(37,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",C36H30N2Si2,,,,,,IJPHOLADYXPUAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.938,221-931-0,3284-77-3,1-(dichloromethyl)-2-nitrobenzene,1-(dichloromethyl)-2-nitrobenzene,[O-][N+](=O)c1ccccc1C(Cl)Cl,[O-][N+](=O)c1ccccc1C(Cl)Cl,"InChI=1/C7H5Cl2NO2/c8-7(9)5-3-1-2-4-6(5)10(11)12/h1-4,7H",C7H5Cl2NO2,,,,,,IREGSVSQCKFDNG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.899,220-788-1,2899-37-8,L-2-amino-4-methylthiobutan-1-ol,2-amino-4-(methylsulfanyl)butan-1-ol,CSCCC(N)CO,CSCCC(N)CO,"InChI=1/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3",C5H13NOS,,,,,,MIQJGZAEWQQAPN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.902,220-791-8,3/11/2901,tert-butyl 2-phenylpropionate,tert-butyl hydratropate,CC(C(=O)OC(C)(C)C)c1ccccc1,CC(C(=O)OC(C)(C)C)c1ccccc1,"InChI=1/C13H18O2/c1-10(11-8-6-5-7-9-11)12(14)15-13(2,3)4/h5-10H,1-4H3",C13H18O2,,,,,,ANRMTVJCEZBLMH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.903,220-792-3,2901-66-8,"Methyl (3ß,16ß,17a,18ß,20a)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate","methyl 18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate",CO[C@H]1[C@H](O)C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC,CO[C@H]1[C@H](O)C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC,"InChI=1/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3",C23H30N2O5,,,,,,MDJQWFFIUHUJSB-UQVJXISSSA-N,,,,,,,,,,,
100.018.904,220-793-9,2901-75-9,N-acetyl-3-phenyl-DL-alanine,N-acetylphenylalanine,OC(=O)[C@@H](NC(C)=O)Cc1ccccc1,OC(=O)[C@@H](NC(C)=O)Cc1ccccc1,"InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)",C11H13NO3,,,,,,CBQJSKKFNMDLON-JTQLQIEISA-N,,,,,,,,,,,
100.020.427,222-468-7,3/12/3483,"(R*,R*)-1,4-dimercaptobutane-2,3-diol","1,4-disulfanylbutane-2,3-diol",OC(CS)C(O)CS,OC(CS)C(O)CS,"InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2",C4H10O2S2,,,,,,VHJLVAABSRFDPM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.435,222-477-6,3486-35-9,Zinc carbonate,zinc carbonate,[Zn+2].[O-]C(=O)[O-],[Zn+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Zn,,,,,,FMRLDPWIRHBCCC-UHFFFAOYSA-L,,,,,,,,,,,
100.020.436,222-478-1,3487-99-8,Pentyl cinnamate,pentyl 3-phenylacrylate,CCCCCOC(=O)/C=C/c1ccccc1,CCCCCOC(=O)/C=C/c1ccccc1,"InChI=1/C14H18O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3",C14H18O2,,,,,,QDRJCWZGTMRXCL-ZHACJKMWSA-N,,,,,,,,,,,
100.020.437,222-479-7,3488-00-4,Hexyl cinnamate,hexyl 3-phenylacrylate,CCCCCCOC(=O)\\C=C\\c1ccccc1,CCCCCCOC(=O)\C=C\c1ccccc1,"InChI=1/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3",C15H20O2,,,,,,UYWPFEKMTYDVQM-VAWYXSNFSA-N,,,,,,,,,,,
100.020.440,222-482-3,3489-28-9,"Nonane-1,9-dithiol","nonane-1,9-dithiol",SCCCCCCCCCS,SCCCCCCCCCS,"InChI=1/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2",C9H20S2,,,,,,GJRCLMJHPWCJEI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.446,222-489-1,3494-53-9,"11-ß,21-dihydroxypregna-4,17(20)-dien-3-one","11,21-dihydroxypregna-4,17-dien-3-one",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC/C/2=C\\CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC/C/2=C\CO,"InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3",C21H30O3,,,,,,SBMHTRUNPKWTLU-QMERZLORSA-N,,,,,,,,,,,
100.020.455,222-499-6,3505-67-7,"1,6-dioxaspiro[4.4]nonane-2,7-dione","1,6-dioxaspiro[4.4]nonane-2,7-dione",O=C1CCC2(CCC(=O)O2)O1,O=C1CCC2(CCC(=O)O2)O1,InChI=1/C7H8O4/c8-5-1-3-7(10-5)4-2-6(9)11-7/h1-4H2,C7H8O4,,,,,,VTQYOGUFKHVWOO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.464,222-509-9,3508-84-7,1-(trichloromethyl)cyclohexan-1-ol,1-(trichloromethyl)cyclohexanol,OC1(CCCCC1)C(Cl)(Cl)Cl,OC1(CCCCC1)C(Cl)(Cl)Cl,"InChI=1/C7H11Cl3O/c8-7(9,10)6(11)4-2-1-3-5-6/h11H,1-5H2",C7H11Cl3O,,,,,,PBYPBMHUTLMVRS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.465,222-510-4,3510-99-4,Ethyl 3-methoxy-2-butenoate,ethyl 3-methoxybut-2-enoate,O=C(OCC)C=C(C)OC,O=C(OCC)C=C(C)OC,"InChI=1/C7H12O3/c1-4-10-7(8)5-6(2)9-3/h5H,4H2,1-3H3",C7H12O3,,,,,,LAPXQIPANPGXCP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.467,222-513-0,3511-19-1,"2,3-dichlorotetrahydrofuran","2,3-dichlorotetrahydrofuran",ClC1CCOC1Cl,ClC1CCOC1Cl,"InChI=1/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2",C4H6Cl2O,,,,,,ZQHLMWUFVRLDRK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.470,222-516-7,3513-81-3,"2-methylenepropane-1,3-diol","2-methylenepropane-1,3-diol",OCC(=C)CO,OCC(=C)CO,"InChI=1/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2",C4H8O2,,,,,,JFFYKITVXPZLQS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.471,222-517-2,7/08/3514,"2'-(3-cyclohexen-1-yl)spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxane]","2'-cyclohex-3-en-1-ylspiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxane]",C1CC(CC=C1)C2OCC3(CO2)CC4CC3C=C4,C1CC(CC=C1)C2OCC3(CO2)CC4CC3C=C4,"InChI=1/C16H22O2/c1-2-4-13(5-3-1)15-17-10-16(11-18-15)9-12-6-7-14(16)8-12/h1-2,6-7,12-15H,3-5,8-11H2",C16H22O2,,,,,,QOGIYRYXUVTOQX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.018,222-019-5,3319-15-1,4-methoxy-a-methylbenzyl alcohol,1-(4-methoxyphenyl)ethanol,COc1ccc(cc1)C(C)O,COc1ccc(cc1)C(C)O,"InChI=1/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3",C9H12O2,,,,,,IUUULXXWNYKJSL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.022,222-023-7,3320-83-0,2-chlorophenyl isocyanate,1-chloro-2-isocyanatobenzene,Clc1ccccc1N=C=O,Clc1ccccc1N=C=O,InChI=1/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,C7H4ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5200,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.022,NOHQUGRVHSJYMR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.023,222-024-2,3320-86-3,2-nitrophenyl isocyanate,1-isocyanato-2-nitrobenzene,[O-][N+](=O)c1ccccc1N=C=O,[O-][N+](=O)c1ccccc1N=C=O,InChI=1/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H,C7H4N2O3,,,,,,JRVZITODZAQRQM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.032,222-034-7,3321-86-6,"10,10'-(ethene-1,2-diylidene)dianthrone","10,10'-ethene-1,2-diylidenedianthracen-9(10H)-one",O=C1c2ccccc2C(=C=C=C3c4ccccc4C(=O)c5ccccc35)c6ccccc16,O=C1c2ccccc2C(=C=C=C3c4ccccc4C(=O)c5ccccc35)c6ccccc16,InChI=1/C30H16O2/c31-29-25-13-5-1-9-19(25)23(20-10-2-6-14-26(20)29)17-18-24-21-11-3-7-15-27(21)30(32)28-16-8-4-12-22(24)28/h1-16H,C30H16O2,,,,,,DATXULQQDBTIRC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.033,222-035-2,3322-32-5,"2-[4-(2,3-epoxypropoxy)phenyl]-6-oxabicyclo[3.1.0]hexane",2-[4-(oxiran-2-ylmethoxy)phenyl]-6-oxabicyclo[3.1.0]hexane,C(Oc1ccc(cc1)C2CCC3OC23)C4CO4,C(Oc1ccc(cc1)C2CCC3OC23)C4CO4,"InChI=1/C14H16O3/c1-3-10(15-7-11-8-16-11)4-2-9(1)12-5-6-13-14(12)17-13/h1-4,11-14H,5-8H2",C14H16O3,,,,,,UMVWSWQLXZQZEP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.953,221-947-8,5/01/3290,"1,2-dichloro-3-(chloromethyl)benzene","1,2-dichloro-3-(chloromethyl)benzene",ClCc1cccc(Cl)c1Cl,ClCc1cccc(Cl)c1Cl,"InChI=1/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2",C7H5Cl3,,,,,,AIPJZPPOFWCJRC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.958,221-953-0,3291-00-7,Salicylaldehyde hydrazone,2-carbonohydrazonoylphenol,N\\N=C\\c1ccccc1O,N\N=C\c1ccccc1O,"InChI=1/C7H8N2O/c8-9-5-6-3-1-2-4-7(6)10/h1-5,10H,8H2",C7H8N2O,,,,,,MYUNWHTZYXUCIK-WEVVVXLNSA-N,,,,,,,,,,,
100.019.959,221-954-6,3291-03-0,"3,4,5-trimethoxybenzohydrazide","3,4,5-trimethoxybenzohydrazide",COc1cc(cc(OC)c1OC)C(=O)NN,COc1cc(cc(OC)c1OC)C(=O)NN,"InChI=1/C10H14N2O4/c1-14-7-4-6(10(13)12-11)5-8(15-2)9(7)16-3/h4-5H,11H2,1-3H3,(H,12,13)",C10H14N2O4,,,,,,KQXHMNUXNHQSOW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.960,221-955-1,2/09/3293,Acetoxydimethylvinylsilane,dimethyl(vinyl)silyl acetate,CC(=O)O[Si](C)(C)C=C,CC(=O)O[Si](C)(C)C=C,"InChI=1/C6H12O2Si/c1-5-9(3,4)8-6(2)7/h5H,1H2,2-4H3",C6H12O2Si,,,,,,KTVHXOHGRUQTPX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.961,221-956-7,3293-32-1,"2,6-di(cyclohexylidene)cyclohexan-1-one","1,1':3',1''-ter(cyclohexane)-1(1'),1''(3')-dien-2'-one",O=C1C(=C2CCCCC2)CCCC1=C3CCCCC3,O=C1C(=C2CCCCC2)CCCC1=C3CCCCC3,InChI=1/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H2,C18H26O,,,,,,UXLWGCCTUFJXDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.962,221-957-2,3293-47-8,"a,2,6,6-tetramethylcyclohexene-1-propan-1-ol","4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-ol",CC(O)CCC1=C(C)CCCC1(C)C,CC(O)CCC1=C(C)CCCC1(C)C,"InChI=1/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3",C13H24O,,,,,,VSYLEWGIVLSDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.963,221-958-8,3293-89-8,"Dimethyl 2,5-dichloroterephthalate","dimethyl 2,5-dichloroterephthalate",COC(=O)c1cc(Cl)c(cc1Cl)C(=O)OC,COC(=O)c1cc(Cl)c(cc1Cl)C(=O)OC,"InChI=1/C10H8Cl2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3",C10H8Cl2O4,,,,,,RDDWGNUSHLFXED-UHFFFAOYSA-N,,,,,,,,,,,
100.019.968,221-964-0,3295-64-5,"1,2,3,4-tetrahydroacridine","1,2,3,4-tetrahydroacridine",C1CCc2nc3ccccc3cc2C1,C1CCc2nc3ccccc3cc2C1,"InChI=1/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,9H,2,4,6,8H2",C13H13N,,,,,,RXBYRTSOWREATF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.969,221-965-6,3295-96-3,1-(allyloxy)decane,1-(allyloxy)decane,CCCCCCCCCCOCC=C,CCCCCCCCCCOCC=C,"InChI=1/C13H26O/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4H,2-3,5-13H2,1H3",C13H26O,,,,,,DOUNTOLJWLULAG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.973,221-969-8,3299-32-9,"2,4,5-trimethyl-1,3-dioxolane","2,4,5-trimethyl-1,3-dioxolane",CC1OC(C)C(C)O1,CC1OC(C)C(C)O1,"InChI=1/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3",C6H12O2,,,,,,HLEXJAVJCZLRTH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.976,221-972-4,3301-90-4,6-ethyltetrahydro-2H-pyran-2-one,6-ethyltetrahydro-2H-pyran-2-one,CCC1CCCC(=O)O1,CCC1CCCC(=O)O1,"InChI=1/C7H12O2/c1-2-6-4-3-5-7(8)9-6/h6H,2-5H2,1H3",C7H12O2,,,,,,JFVQYQDTHWLYHG-UHFFFAOYSA-N,,,,,,,,,,,
100.019.983,221-980-8,3304-51-6,N5-benzyloxycarbonyl-L-ornithine,N~5~-[(benzyloxy)carbonyl]-L-ornithine,N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O,N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)",C13H18N2O4,,,,,,VULSXQYFUHKBAN-NSHDSACASA-N,,,,,,,,,,,
100.019.984,221-981-3,3304-59-4,"1-benzyl 2-(4-nitrophenyl) (S)-pyrrolidine-1,2-dicarboxylate","1-benzyl 2-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate",[O-][N+](=O)c1ccc(OC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3)cc1,[O-][N+](=O)c1ccc(OC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3)cc1,"InChI=1/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2",C19H18N2O6,,,,,,GXUFIJVKXYWCAO-KRWDZBQOSA-N,,,,,,,,,,,
100.019.988,221-986-0,3306-36-3,sec-butyl benzoate,sec-butyl benzoate,CCC(C)OC(=O)c1ccccc1,CCC(C)OC(=O)c1ccccc1,"InChI=1/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",C11H14O2,,,,,,LSLWNAOQPPLHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.990,221-988-1,3306-62-5,o-aminobenzenesulphonamide,2-aminobenzenesulfonamide,Nc1ccccc1S(=O)(=O)N,Nc1ccccc1S(=O)(=O)N,"InChI=1/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",C6H8N2O2S,,,,,,YAZSBRQTAHVVGE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.991,221-989-7,3307-00-4,p-(1-ethylhexyl)phenol,4-(1-ethylhexyl)phenol,CCCCCC(CC)c1ccc(O)cc1,CCCCCC(CC)c1ccc(O)cc1,"InChI=1/C14H22O/c1-3-5-6-7-12(4-2)13-8-10-14(15)11-9-13/h8-12,15H,3-7H2,1-2H3",C14H22O,,,,,,RVKRSEBIQIUEBD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.960,220-855-5,2918-80-1,"3-(2,4-dihydroxyphenylazo)-4-hydroxybenzenesulphonic acid","3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid",Oc2cc(O)ccc2N=Nc1cc(ccc1O)S(O)(=O)=O,Oc2cc(O)ccc2N=Nc1cc(ccc1O)S(O)(=O)=O,"InChI=1/C12H10N2O6S/c15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16/h1-6,15-17H,(H,18,19,20)",C12H10N2O6S,,,,,,NOYGQBBPVKLDQU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.764,222-839-3,3626-40-2,Trisodium 3-[[4-[[4-[(4-aminophenyl)azo]-6-sulphonatonaphthyl]azo]-6-sulphonatonaphthyl]azo]-4-hydroxynaphthalene-1-sulphonate,trisodium 3-{[4-({4-[(4-aminophenyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}-4-hydroxynaphthalene-1-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccc(N)cc2)ccc7N=Nc6ccc(N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccc(N)cc2)ccc7N=Nc6ccc(N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,"InChI=1/C36H25N7O10S3.3Na/c37-20-5-7-21(8-6-20)38-39-32-15-13-30(24-11-9-22(17-28(24)32)54(45,46)47)40-42-33-16-14-31(25-12-10-23(18-29(25)33)55(48,49)50)41-43-34-19-35(56(51,52)53)26-3-1-2-4-27(26)36(34)44;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C36H25N7O10S3.3Na,,,,,,NBAONFGKBCDXQW-UHFFFAOYSA-K,,,,,,,,,,,
100.020.765,222-840-9,3626-41-3,Sodium 4-hydroxy-3-[(2-methoxy-5-nitrophenyl)azo]-6-(phenylamino)naphthalene-2-sulphonate,sodium 6-anilino-4-hydroxy-3-[(2-methoxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].COc4ccc(cc4N=Nc3c(cc2ccc(Nc1ccccc1)cc2c3O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].COc4ccc(cc4N=Nc3c(cc2ccc(Nc1ccccc1)cc2c3O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C23H18N4O7S.Na/c1-34-20-10-9-17(27(29)30)13-19(20)25-26-22-21(35(31,32)33)11-14-7-8-16(12-18(14)23(22)28)24-15-5-3-2-4-6-15;/h2-13,24,28H,1H3,(H,31,32,33);/q;+1/p-1",C23H18N4O7S.Na,,,,,,ZXKXYDDIJPFQNV-UHFFFAOYSA-M,,,,,,,,,,,
100.020.768,222-844-0,3627-45-0,4-phenylpiperidine-4-carboxylic acid,4-phenylpiperidine-4-carboxylic acid,OC(=O)C1(CCNCC1)c2ccccc2,OC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)",C12H15NO2,,,,,,DZZGGKPKWGPNJA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.777,222-854-5,3634-86-4,"6,6'-methylenebis(4-tert-butyl-o-cresol)","2,2'-methylenebis(4-tert-butyl-6-methylphenol)",Cc1cc(cc(Cc2cc(cc(C)c2O)C(C)(C)C)c1O)C(C)(C)C,Cc1cc(cc(Cc2cc(cc(C)c2O)C(C)(C)C)c1O)C(C)(C)C,"InChI=1/C23H32O2/c1-14-9-18(22(3,4)5)12-16(20(14)24)11-17-13-19(23(6,7)8)10-15(2)21(17)25/h9-10,12-13,24-25H,11H2,1-8H3",C23H32O2,,,,,,MUOCKFNUAUVTHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.779,222-856-6,3634-94-4,Didecyl glutarate,didecyl glutarate,CCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCC,"InChI=1/C25H48O4/c1-3-5-7-9-11-13-15-17-22-28-24(26)20-19-21-25(27)29-23-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3",C25H48O4,,,,,,FFPZYKQFAKXVSW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.780,222-857-1,3634-95-5,Dihexyl glutarate,dihexyl glutarate,CCCCCCOC(=O)CCCC(=O)OCCCCCC,CCCCCCOC(=O)CCCC(=O)OCCCCCC,"InChI=1/C17H32O4/c1-3-5-7-9-14-20-16(18)12-11-13-17(19)21-15-10-8-6-4-2/h3-15H2,1-2H3",C17H32O4,,,,,,GXFXLHQQYQDXKC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.789,216-267-3,1540-21-2,Ethyl 3-isopropoxy-2-butenoate,ethyl 3-isopropoxybut-2-enoate,CC(C)OC(C)=CC(=O)OCC,CC(C)OC(C)=CC(=O)OCC,"InChI=1/C9H16O3/c1-5-11-9(10)6-8(4)12-7(2)3/h6-7H,5H2,1-4H3",C9H16O3,,,,,,QWNZEPFCWKMYAS-UHFFFAOYSA-N,,,,,,,,,,,
100.014.797,216-276-2,1541-66-8,"1,1'-(dodecylimino)dipropan-2-ol","1,1'-(dodecylimino)dipropan-2-ol",CCCCCCCCCCCCN(CC(C)O)CC(C)O,CCCCCCCCCCCCN(CC(C)O)CC(C)O,"InChI=1/C18H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-19(15-17(2)20)16-18(3)21/h17-18,20-21H,4-16H2,1-3H3",C18H39NO2,,,,,,BZJZJFAPSOEUFE-UHFFFAOYSA-N,,,,,,,,,,,
100.014.799,216-278-3,1541-81-7,4-dodecylmorpholine,4-dodecylmorpholine,CCCCCCCCCCCCN1CCOCC1,CCCCCCCCCCCCN1CCOCC1,"InChI=1/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17/h2-16H2,1H3",C16H33NO,,,,,,ZRIILUSQBDFVNY-UHFFFAOYSA-N,,,,,,,,,,,
100.014.800,216-279-9,1544-19-0,"1,1'-isopropylidenebis[4-(1,1,2,2-tetrafluoroethoxy)benzene]","1,1'-propane-2,2-diylbis[4-(1,1,2,2-tetrafluoroethoxy)benzene]",CC(C)(c1ccc(OC(F)(F)C(F)F)cc1)c2ccc(OC(F)(F)C(F)F)cc2,CC(C)(c1ccc(OC(F)(F)C(F)F)cc1)c2ccc(OC(F)(F)C(F)F)cc2,"InChI=1/C19H16F8O2/c1-17(2,11-3-7-13(8-4-11)28-18(24,25)15(20)21)12-5-9-14(10-6-12)29-19(26,27)16(22)23/h3-10,15-16H,1-2H3",C19H16F8O2,,,,,,NILNWNGNABYYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.804,216-284-6,1548-13-6,"a,a,a-trifluoro-p-tolyl isocyanate",1-isocyanato-4-(trifluoromethyl)benzene,FC(F)(F)c1ccc(cc1)N=C=O,FC(F)(F)c1ccc(cc1)N=C=O,"InChI=1/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H",C8H4F3NO,,,,,,QZTWVDCKDWZCLV-UHFFFAOYSA-N,,,,,,,,,,,
100.014.807,216-287-2,1550-35-2,"2,4-difluorobenzaldehyde","2,4-difluorobenzaldehyde",Fc1ccc(C=O)c(F)c1,Fc1ccc(C=O)c(F)c1,InChI=1/C7H4F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,C7H4F2O,,,,,,WCGPCBACLBHDCI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.815,216-296-1,1552-67-6,Ethyl hex-2-enoate,ethyl hex-2-enoate,CCOC(=O)C=CCCC,CCOC(=O)C=CCCC,"InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3",C8H14O2,,,,,,SJRXWMQZUAOMRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.817,216-298-2,1552-94-9,"5-phenylpenta-2,4-dienoic acid","5-phenylpenta-2,4-dienoic acid",OC(=O)C=CC=Cc1ccccc1,OC(=O)C=CC=Cc1ccccc1,"InChI=1/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)",C11H10O2,,,,,,FEIQOMCWGDNMHM-UHFFFAOYSA-N,,,,,,,,,,,
100.014.822,216-303-8,1555-53-9,Magnesium dioleate,magnesium dioctadec-9-enoate,[Mg+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Mg+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Mg,,,,,,TYYXXEAZZVHRDF-CVBJKYQLSA-L,,,,,,,,,,,
100.014.825,216-306-4,1555-66-4,"3,3'-(phenylimino)bispropiononitrile","3,3'-(phenylimino)dipropanenitrile",N#CCCN(CCC#N)c1ccccc1,N#CCCN(CCC#N)c1ccccc1,"InChI=1/C12H13N3/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,10-11H2",C12H13N3,,,,,,NSVHSAUVIFTVPN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.908,220-798-6,2902-98-9,"a-chloro-a,a-diphenylacetyl chloride",chloro(diphenyl)acetyl chloride,ClC(=O)C(Cl)(c1ccccc1)c2ccccc2,ClC(=O)C(Cl)(c1ccccc1)c2ccccc2,"InChI=1/C14H10Cl2O/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C14H10Cl2O,,,,,,NFHKZAUDRWRXMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.910,220-800-5,2903-23-3,2-methylnon-2-en-4-one,2-methylnon-2-en-4-one,CCCCCC(=O)C=C(C)C,CCCCCC(=O)C=C(C)C,"InChI=1/C10H18O/c1-4-5-6-7-10(11)8-9(2)3/h8H,4-7H2,1-3H3",C10H18O,,,,,,LVVHLEIGMGTYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.920,220-811-5,2905-60-4,"2,3-dichlorobenzoyl chloride","2,3-dichlorobenzoyl chloride",ClC(=O)c1cccc(Cl)c1Cl,ClC(=O)c1cccc(Cl)c1Cl,InChI=1/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,C7H3Cl3O,,,,,,YBONBWJSFMTXLE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.924,220-815-7,2905-69-3,"Methyl 2,5-dichlorobenzoate","methyl 2,5-dichlorobenzoate",COC(=O)c1cc(Cl)ccc1Cl,COC(=O)c1cc(Cl)ccc1Cl,"InChI=1/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3",C8H6Cl2O2,,,,,,SPJQBGGHUDNAIC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.930,220-822-5,2909-38-8,3-chlorophenyl isocyanate,1-chloro-3-isocyanatobenzene,Clc1cccc(c1)N=C=O,Clc1cccc(c1)N=C=O,InChI=1/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H,C7H4ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10915,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.930,HHIRBXHEYVDUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.942,220-835-6,2915-53-9,Dioctyl maleate,dioctyl but-2-enedioate,CCCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCCC,CCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCC,"InChI=1/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3",C20H36O4,,,,,,TVWTZAGVNBPXHU-NXVVXOECSA-N,,,,,,,,,,,
100.016.935,218-628-0,2207-98-9,Sodium hexyl sulphate,sodium hexyl sulfate,[Na+].CCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCOS(=O)(=O)[O-],"InChI=1/C6H14O4S.Na/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1",C6H14O4S.Na,,,,,,WSVLUYNDHYCZGD-UHFFFAOYSA-M,,,,,,,,,,,
100.016.946,218-640-6,2210-62-0,(2-hydroxyethyl)ammonium palmitate,2-hydroxyethanaminium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].[NH3+]CCO,CCCCCCCCCCCCCCCC(=O)[O-].[NH3+]CCO,"InChI=1/C16H32O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3-1-2-4/h2-15H2,1H3,(H,17,18);4H,1-3H2",C16H32O2.C2H7NO,,,,,,AXAURZWPEBQDNG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.952,218-646-9,2210-93-7,1-phenylpiperazinium chloride,1-phenylpiperazin-1-ium chloride,[Cl-].C1C[NH+](CCN1)c2ccccc2,[Cl-].C1C[NH+](CCN1)c2ccccc2,"InChI=1/C10H14N2.ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h1-5,11H,6-9H2;1H",C10H14N2.ClH,,,,,,NQNZNONJZASOKL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.957,218-652-1,2211-70-3,2-chlorobut-1-ene,2-chlorobut-1-ene,CCC(=C)Cl,CCC(=C)Cl,"InChI=1/C4H7Cl/c1-3-4(2)5/h2-3H2,1H3",C4H7Cl,,,,,,HSEFPJMMKNHABB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.961,218-656-3,8/06/2212,[(p-bromophenoxy)methyl]oxirane,2-[(4-bromophenoxy)methyl]oxirane,Brc1ccc(OCC2CO2)cc1,Brc1ccc(OCC2CO2)cc1,"InChI=1/C9H9BrO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2",C9H9BrO2,,,,,,YKUYKENINQNULY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.963,218-658-4,2212-32-0,2-[[2-(dimethylamino)ethyl]methylamino]ethanol,2-{[2-(dimethylamino)ethyl](methyl)amino}ethanol,CN(C)CCN(C)CCO,CN(C)CCN(C)CCO,"InChI=1/C7H18N2O/c1-8(2)4-5-9(3)6-7-10/h10H,4-7H2,1-3H3",C7H18N2O,,,,,,LSYBWANTZYUTGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.965,218-661-0,2212-67-1,Molinate,S-ethyl azepane-1-carbothioate,CCSC(=O)N1CCCCCC1,CCSC(=O)N1CCCCCC1,"InChI=1/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3",C9H17NOS,,,,,,DEDOPGXGGQYYMW-UHFFFAOYSA-N,Positive,EQ371401|EQ371402|EQ371403|EQ371404|EQ371405|EQ371406|EQ371407|EQ371408|EQ371409,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,126.0913:188.1103:83.0855|126.0913:188.1103:83.0855|126.0913:83.0855:55.0542|55.0542:126.0914:83.0855|55.0542:98.0964:83.0855|55.0542:98.0965:70.0651|55.0542:98.0965:70.0651|55.0543:53.0386:70.0651|55.0543:53.0386:56.0131,Eawag,,,,,
100.016.973,218-669-4,2213-67-4,3-tert-butyl-6-methylpyrocatechol,"3-tert-butyl-6-methylbenzene-1,2-diol",Cc1ccc(c(O)c1O)C(C)(C)C,Cc1ccc(c(O)c1O)C(C)(C)C,"InChI=1/C11H16O2/c1-7-5-6-8(11(2,3)4)10(13)9(7)12/h5-6,12-13H,1-4H3",C11H16O2,,,,,,GXVJJTLDTNWPON-UHFFFAOYSA-N,,,,,,,,,,,
100.020.355,222-389-8,3457-61-2,"tert-butyl a,a-dimethylbenzyl peroxide",tert-butyl 1-methyl-1-phenylethyl peroxide,CC(C)(C)OOC(C)(C)c1ccccc1,CC(C)(C)OOC(C)(C)c1ccccc1,"InChI=1/C13H20O2/c1-12(2,3)14-15-13(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3",C13H20O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13239,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.355,BIISIZOQPWZPPS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.356,222-390-3,3457-98-5,4-(phenylazo)anilinium chloride,4-(phenyldiazenyl)anilinium chloride,[Cl-].[NH3+]c2ccc(N=Nc1ccccc1)cc2,[Cl-].[NH3+]c2ccc(N=Nc1ccccc1)cc2,"InChI=1/C12H11N3.ClH/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;/h1-9H,13H2;1H",C12H11N3.ClH,,,,,,WMNTYZIRLUBHEE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.357,222-391-9,3457-99-6,[4-(cyanomethyl)phenyl]ammonium chloride,4-(cyanomethyl)anilinium chloride,[Cl-].[NH3+]c1ccc(CC#N)cc1,[Cl-].[NH3+]c1ccc(CC#N)cc1,"InChI=1/C8H8N2.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4H,5,10H2;1H",C8H8N2.ClH,,,,,,JMGBJPJOBHXMID-UHFFFAOYSA-N,,,,,,,,,,,
100.020.363,222-398-7,3459-18-5,4'-nitrophenyl-2-acetamido-2-deoxy-ß-glucopyranoside,4-nitrophenyl 2-acetamido-2-deoxyhexopyranoside,CC(=O)NC1C(O)C(O)C(CO)OC1Oc2ccc(cc2)N(=O)=O,CC(=O)NC1C(O)C(O)C(CO)OC1Oc2ccc(cc2)N(=O)=O,"InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)",C14H18N2O8,,,,,,OMRLTNCLYHKQCK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.040,222-043-6,3326-34-9,5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid,5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid,Nc1ccc(C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)c(c1)C(=O)O,Nc1ccc(C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)c(c1)C(=O)O,"InChI=1/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)",C20H13NO5,,,,,,UTUYQGGHTUQHQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.043,222-046-2,3326-71-4,2-furohydrazide,2-furohydrazide,NNC(=O)c1occc1,NNC(=O)c1occc1,"InChI=1/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)",C5H6N2O2,,,,,,SKTSVWWOAIAIKI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.046,222-049-9,3329-14-4,"1-(3,3-diphenylpropyl)piperidinium chloride","1-(3,3-diphenylpropyl)piperidinium chloride",[Cl-].C(C[NH+]1CCCCC1)C(c2ccccc2)c3ccccc3,[Cl-].C(C[NH+]1CCCCC1)C(c2ccccc2)c3ccccc3,"InChI=1/C20H25N.ClH/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1-2,4-7,10-13,20H,3,8-9,14-17H2;1H",C20H25N.ClH,,,,,,KNTZUVDGULKCPO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.047,222-050-4,3329-16-6,Sodium 5-(2-bromoallyl)-5-isopropyl-1-methylbarbiturate,"sodium 5-(2-bromoprop-2-en-1-yl)-5-isopropyl-1-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CC(C)C1(CC(=C)Br)C(=O)N=C([O-])N(C)C1=O,[Na+].CC(C)C1(CC(=C)Br)C(=O)N=C([O-])N(C)C1=O,"InChI=1/C11H15BrN2O3.Na/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16;/h6H,3,5H2,1-2,4H3,(H,13,15,17);/q;+1/p-1",C11H15BrN2O3.Na,,,,,,OJFQAJVRMVQQHN-UHFFFAOYSA-M,,,,,,,,,,,
100.020.049,222-053-0,3330-45-8,4-isopropenyl-1-methylcyclohex-2-en-1-yl hydroperoxide,4-isopropenyl-1-methylcyclohex-2-en-1-yl hydroperoxide,CC(=C)C1CCC(C)(OO)C=C1,CC(=C)C1CCC(C)(OO)C=C1,"InChI=1/C10H16O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3",C10H16O2,,,,,,LCOVCELWSKTKHX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.050,222-054-6,3330-46-9,Sodium 5-(2-bromoallyl)-5-(sec-pentyl)barbiturate,"sodium 5-(2-bromoprop-2-en-1-yl)-5-(1-methylbutyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",CCCC(C)C1(CC(=C)Br)C(=O)NC(=NC1=O)O[Na],CCCC(C)C1(CC(=C)Br)C(=O)NC(=NC1=O)O[Na],"InChI=1/C12H17BrN2O3.Na/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17;/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1",C12H17BrN2O3.Na,,,,,,PJXYUBAEEYRXTO-UHFFFAOYSA-M,,,,,,,,,,,
100.020.055,222-059-3,3332-27-2,"N,N-dimethyltetradecylamine N-oxide",dimethyl(tetradecyl)amine oxide,CCCCCCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)18/h4-16H2,1-3H3",C16H35NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14677,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.055,ONHFWHCMZAJCFB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.057,222-061-4,3332-48-7,"1,3-bis(2,3-epoxypropoxy)butane","2,2'-[butane-1,3-diylbis(oxymethylene)]dioxirane",CC(CCOCC1CO1)OCC2CO2,CC(CCOCC1CO1)OCC2CO2,"InChI=1/C10H18O4/c1-8(12-5-10-7-14-10)2-3-11-4-9-6-13-9/h8-10H,2-7H2,1H3",C10H18O4,,,,,,JROOCDXTPKCUIO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.061,222-066-1,3333-25-3,"2,6-dibromohydroquinone","2,6-dibromobenzene-1,4-diol",Oc1cc(Br)c(O)c(Br)c1,Oc1cc(Br)c(O)c(Br)c1,"InChI=1/C6H4Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H",C6H4Br2O2,,,,,,IELUPRVYGHTVHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.838,244-939-6,22371-68-2,"7-nitro-3,4-benzocoumarin",7-nitro-6H-benzo[c]chromen-6-one,O=C1Oc2ccccc2c3cccc(c13)N(=O)=O,O=C1Oc2ccccc2c3cccc(c13)N(=O)=O,InChI=1/C13H7NO4/c15-13-12-9(5-3-6-10(12)14(16)17)8-4-1-2-7-11(8)18-13/h1-7H,C13H7NO4,,,,,,RRBHCIXYRBIXMK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.840,244-941-7,22373-78-0,"Monensin, monosodium salt","sodium 4-(2-{2-ethyl-5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-3'-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylpentanoate",CCC1(CCC(O1)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C(OC)C(C)C(=O)O[Na])O2)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C,CCC1(CCC(O1)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C(OC)C(C)C(=O)O[Na])O2)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C,"InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1",C36H62O11.Na,,,,,,XOIQMTLWECTKJL-UHFFFAOYSA-M,,,,,,,,,,,
100.040.842,244-943-8,22374-97-6,Calcium bis(hydroxymethanesulphinate),calcium bis(hydroxymethanesulfinate),[Ca+2].OCS(=O)[O-].OCS(=O)[O-],[Ca+2].OCS(=O)[O-].OCS(=O)[O-],"InChI=1/2CH4O3S.Ca/c2*2-1-5(3)4;/h2*2H,1H2,(H,3,4);/q;;+2/p-2",CH4O3S.1/2Ca,,,,,,FYJUPLXMMHBEJS-UHFFFAOYSA-L,,,,,,,,,,,
100.040.848,244-950-6,22393-86-8,Hexadecyl oleate,hexadecyl octadec-9-enoate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C34H66O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-33H2,1-2H3",C34H66O2,,,,,,JYTMDBGMUIAIQH-ZPHPHTNESA-N,,,,,,,,,,,
100.040.861,244-964-2,22410-58-8,"2,3-dichloroacrylonitrile","2,3-dichloroacrylonitrile",Cl\\C=C(\\Cl)/C#N,Cl\C=C(\Cl)/C#N,InChI=1/C3HCl2N/c4-1-3(5)2-6/h1H,C3HCl2N,,,,,,NDWDVOQVCRKCDJ-HNQUOIGGSA-N,,,,,,,,,,,
100.040.872,244-976-8,22414-91-1,"2,2'-dithiobishexanoic acid","2,2'-disulfanediyldihexanoic acid",CCCCC(SSC(CCCC)C(=O)O)C(=O)O,CCCCC(SSC(CCCC)C(=O)O)C(=O)O,"InChI=1/C12H22O4S2/c1-3-5-7-9(11(13)14)17-18-10(12(15)16)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)",C12H22O4S2,,,,,,MWPDZNLNSAHLMK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.966,220-861-8,2920-86-7,Prednisolone 21-(hydrogen succinate),"4-[(11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,"InChI=1/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)",C25H32O8,,,,,,APGDTXUMTIZLCJ-CGVGKPPMSA-N,,,,,,,,,,,
100.018.968,220-863-9,2921-57-5,"11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-(hydrogen succinate)","4-[(11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid",C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)",C26H34O8,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11980,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.968,IMBXEJJVJRTNOW-XYMSELFBSA-N,,,,,,,,,,,
100.018.973,220-869-1,2922-41-0,p-amino-DL-phenylalanine hydrate,4-amino-L-phenylalanine hydrate,O.Nc1ccc(C[C@H](N)C(O)=O)cc1,O.Nc1ccc(C[C@H](N)C(O)=O)cc1,"InChI=1/C9H12N2O2.H2O/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,10-11H2,(H,12,13);1H2",C9H12N2O2,,,,,,LPKPWQCBWORKIP-QRPNPIFTSA-N,,,,,,,,,,,
100.018.978,220-874-9,2923-14-0,Silver(1+) chlorodifluoroacetate,silver(1+) chloro(difluoro)acetate,[Ag+].[O-]C(=O)C(F)(F)Cl,[Ag+].[O-]C(=O)C(F)(F)Cl,"InChI=1/C2HClF2O2.Ag/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HClF2O2.Ag,,,,,,OYMIPVSTAGIOCK-UHFFFAOYSA-M,,,,,,,,,,,
100.018.981,220-878-0,2923-17-3,Lithium trifluoroacetate,lithium trifluoroacetate,[Li+].[O-]C(=O)C(F)(F)F,[Li+].[O-]C(=O)C(F)(F)F,"InChI=1/C2HF3O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HF3O2.Li,,,,,,HSFDLPWPRRSVSM-UHFFFAOYSA-M,,,,,,,,,,,
100.018.992,220-890-6,2926-45-6,4-(dimethylamino)benzenediazonium hexafluorophosphate,4-(dimethylamino)benzenediazonium hexafluorophosphate,CN(C)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,CN(C)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C8H10N3.F6P/c1-11(2)8-5-3-7(10-9)4-6-8;1-7(2,3,4,5)6/h3-6H,1-2H3;/q+1;-1",C8H10N3.F6P,,,,,,YXNAXNYLCQPCJA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.995,220-893-2,2929-52-4,Trihexylsilane,trihexylsilane,CCCCCC[SiH](CCCCCC)CCCCCC,CCCCCC[SiH](CCCCCC)CCCCCC,"InChI=1/C18H40Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h19H,4-18H2,1-3H3",C18H40Si,,,,,,IBNSYFQZHBBNLR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.983,218-680-4,2215-63-6,"1-benzyl-1,2-dihydro-3H-indazol-3-one","1-benzyl-1,2-dihydro-3H-indazol-3-one",O=C1NN(Cc2ccccc2)c3ccccc13,O=C1NN(Cc2ccccc2)c3ccccc13,"InChI=1/C14H12N2O/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)",C14H12N2O,,,,,,SXPJFDSMKWLOAB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.991,218-689-3,2216-45-7,4-methylbenzyl acetate,4-methylbenzyl acetate,CC(=O)OCc1ccc(C)cc1,CC(=O)OCc1ccc(C)cc1,"InChI=1/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3",C10H12O2,,,,,,WDCUPFMSLUIQBH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.992,218-690-9,2216-51-5,L-menthol,2-isopropyl-5-methylcyclohexanol,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15383,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.992,NOOLISFMXDJSKH-KXUCPTDWSA-N,,,,,,,,,,,
100.016.999,218-698-2,2216-81-1,Heptyl propionate,heptyl propionate,CCCCCCCOC(=O)CC,CCCCCCCOC(=O)CC,"InChI=1/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3",C10H20O2,,,,,,BGYICJVBGZQOCY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.501,220-351-5,2733-41-7,4-nitrobenzoyl azide,4-nitrobenzoyl azide,[O-][N+](=O)c1ccc(cc1)C(=O)N=[N+]=[N-],[O-][N+](=O)c1ccc(cc1)C(=O)N=[N+]=[N-],InChI=1/C7H4N4O3/c8-10-9-7(12)5-1-3-6(4-2-5)11(13)14/h1-4H,C7H4N4O3,,,,,,HGDXYCWNFLHQFC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.503,220-353-6,2734-31-8,"[1R-(1a,2ß,3ß,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.505,220-355-7,8/04/2735,"2,4-dimethoxyaniline","2,4-dimethoxyaniline",COc1ccc(N)c(OC)c1,COc1ccc(N)c(OC)c1,"InChI=1/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3",C8H11NO2,,,,,,GEQNZVKIDIPGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.508,220-358-3,2736-23-4,"2,4-dichloro-5-sulphamoylbenzoic acid","2,4-dichloro-5-sulfamoylbenzoic acid",NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl,NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl,"InChI=1/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)",C7H5Cl2NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12683,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.508,ZSHHRBYVHTVRFK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.514,220-365-1,2739-98-2,Ethyl 2-pyridylacetate,ethyl pyridin-2-ylacetate,CCOC(=O)Cc1ccccn1,CCOC(=O)Cc1ccccn1,"InChI=1/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3",C9H11NO2,,,,,,IUDKTVXSXWAKJO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.515,220-366-7,7/04/2740,8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-4-benzopyrone hydrochloride,8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-4H-chromen-4-one,COc1ccc2C(=O)C(=C(Oc2c1CN(C)C)c3ccccc3)C,COc1ccc2C(=O)C(=C(Oc2c1CN(C)C)c3ccccc3)C,"InChI=1/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3",C20H21NO3.ClH,,,,,,ZXFQRFXLFWWKLX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.923,242-832-9,19136-34-6,Lead maleate,lead(4+) dibut-2-enedioate,[Pb].OC(=O)/C=C\\C(O)=O,[Pb].OC(=O)/C=C\C(O)=O,"InChI=1/C4H4O4.Pb.2H/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/q;+4;;/rC4H4O4.H2Pb/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);1H2/q;+4",C4H4O4.xPb,,,,,,DECKLSNUXCKNBM-ODZAUARKSA-N,,,,,,,,,,,
100.038.925,242-835-5,19141-74-3,(3-chloropropyl)oxirane,2-(3-chloropropyl)oxirane,ClCCCC1CO1,ClCCCC1CO1,"InChI=1/C5H9ClO/c6-3-1-2-5-4-7-5/h5H,1-4H2",C5H9ClO,,,,,,LSOXTBBDZHIHDE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.928,242-838-1,19147-16-1,Dipotassium adipate,dipotassium adipate,[K+].[K+].[O-]C(=O)CCCCC(=O)[O-],[K+].[K+].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.2K/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H10O4.2K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10165,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.928,GCHCGDFZHOEXMP-UHFFFAOYSA-L,,,,,,,,,,,
100.038.930,242-840-2,19147-35-4,Diethyl(2-hydroxyethyl)methylammonium chloride,"N,N-diethyl-2-hydroxy-N-methylethanaminium chloride",[Cl-].CC[N+](C)(CC)CCO,[Cl-].CC[N+](C)(CC)CCO,"InChI=1/C7H18NO.ClH/c1-4-8(3,5-2)6-7-9;/h9H,4-7H2,1-3H3;1H/q+1;/p-1",C7H18NO.Cl,,,,,,JIJBLHYYNVNUFF-UHFFFAOYSA-M,,,,,,,,,,,
100.038.931,242-841-8,19149-47-4,"Magnesium 1,4-bis(2-ethylhexyl) 2-sulphonatosuccinate",-,[Mg+2].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],[Mg+2].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],"InChI=1/C20H38O7S.Mg/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+2/p-1",C20H38O7S.1/2Mg,,,,,,PDXLOCCLJHHYAP-UHFFFAOYSA-M,,,,,,,,,,,
100.038.934,242-844-4,19150-71-1,Octadecyl acetoacetate,octadecyl 3-oxobutanoate,CCCCCCCCCCCCCCCCCCOC(=O)CC(=O)C,CCCCCCCCCCCCCCCCCCOC(=O)CC(=O)C,"InChI=1/C22H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(24)20-21(2)23/h3-20H2,1-2H3",C22H42O3,,,,,,BMOMBHKAYGMGCR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.938,242-849-1,19158-51-1,p-toluenesulphonyl cyanide,4-methylbenzenesulfonyl cyanide,Cc1ccc(cc1)S(=O)(=O)C#N,Cc1ccc(cc1)S(=O)(=O)C#N,"InChI=1/C8H7NO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,1H3",C8H7NO2S,,,,,,JONIMGVUGJVFQD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.944,242-855-4,19172-47-5,"2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulphide","2,4-bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide",COc1ccc(cc1)P2(=S)SP(=S)(S2)c3ccc(OC)cc3,COc1ccc(cc1)P2(=S)SP(=S)(S2)c3ccc(OC)cc3,"InChI=1/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3",C14H14O2P2S4,,,,,,CFHGBZLNZZVTAY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.955,242-868-5,19196-09-9,Hexadecylguanidine monohydrochloride,1-hexadecylguanidine hydrochloride,Cl.CCCCCCCCCCCCCCCCNC(=N)N,Cl.CCCCCCCCCCCCCCCCNC(=N)N,"InChI=1/C17H37N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19;/h2-16H2,1H3,(H4,18,19,20);1H",C17H37N3.ClH,,,,,,ULHAAWVGJFZJGC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.958,242-871-1,19198-75-5,"Decyl 3,4,5-trihydroxybenzoate","decyl 3,4,5-trihydroxybenzoate",CCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,CCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C17H26O5/c1-2-3-4-5-6-7-8-9-10-22-17(21)13-11-14(18)16(20)15(19)12-13/h11-12,18-20H,2-10H2,1H3",C17H26O5,,,,,,AOTRKUOCGUXQCY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.963,242-876-9,19201-39-9,2-(6-methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenylethanethioamide,"2-(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-N-phenylethanethioamide",COc1ccc3c(c1)SC(=CC(=S)Nc2ccccc2)N3C,COc1ccc3c(c1)SC(=CC(=S)Nc2ccccc2)N3C,"InChI=1/C17H16N2OS2/c1-19-14-9-8-13(20-2)10-15(14)22-17(19)11-16(21)18-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)",C17H16N2OS2,,,,,,DOWNCJYKXRRKRN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.944,247-254-0,25771-65-7,8-nitro-4-phenylquinoline,8-nitro-4-phenylquinoline,[O-][N+](=O)c1cccc2c(ccnc12)c3ccccc3,[O-][N+](=O)c1cccc2c(ccnc12)c3ccccc3,InChI=1/C15H10N2O2/c18-17(19)14-8-4-7-13-12(9-10-16-15(13)14)11-5-2-1-3-6-11/h1-10H,C15H10N2O2,,,,,,NKDNDDSXVZUMQC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.947,247-257-7,25774-02-1,Benzyl hydrogen phenylmalonate,3-(benzyloxy)-3-oxo-2-phenylpropanoic acid,OC(=O)C(C(=O)OCc1ccccc1)c2ccccc2,OC(=O)C(C(=O)OCc1ccccc1)c2ccccc2,"InChI=1/C16H14O4/c17-15(18)14(13-9-5-2-6-10-13)16(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)",C16H14O4,,,,,,QSBAHMROFICXDC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.952,247-262-4,25784-91-2,2-chloro-5-nitrobenzoyl chloride,2-chloro-5-nitrobenzoyl chloride,[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Cl,[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Cl,InChI=1/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,C7H3Cl2NO3,,,,,,OGLKKYALUKXVPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.962,247-273-4,25807-51-6,"Trisodium 2,4-dihydroxy-3,5-bis[(4-sulphonatophenyl)azo]benzenesulphonate","trisodium 2,4-dihydroxy-3,5-bis[(4-sulfonatophenyl)diazenyl]benzenesulfonate",[Na+].[Na+].[Na+].Oc2c(cc(c(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc3ccc(cc3)S([O-])(=O)=O,[Na+].[Na+].[Na+].Oc2c(cc(c(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc3ccc(cc3)S([O-])(=O)=O,"InChI=1/C18H14N4O11S3.3Na/c23-17-14(21-19-10-1-5-12(6-2-10)34(25,26)27)9-15(36(31,32)33)18(24)16(17)22-20-11-3-7-13(8-4-11)35(28,29)30;;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3",C18H14N4O11S3.3Na,,,,,,DFMOHCXRLKRLHB-UHFFFAOYSA-K,,,,,,,,,,,
100.020.365,222-400-6,3459-67-4,m-aminobenzamidine hydrochloride,3-aminobenzenecarboximidamide hydrochloride,Cl.NC(=N)c1cccc(N)c1,Cl.NC(=N)c1cccc(N)c1,"InChI=1/C7H9N3.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H",C7H9N3.ClH,,,,,,PHXHYPQRDRRSAN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.367,222-402-7,3459-96-9,Amicarbalide,3-{[(3-carbamimidoylphenyl)carbamoyl]amino}benzenecarboximidamide,NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(=N)N)c1,NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(=N)N)c1,"InChI=1/C15H16N6O/c16-13(17)9-3-1-5-11(7-9)20-15(22)21-12-6-2-4-10(8-12)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H2,20,21,22)",C15H16N6O,,,,,,KRUVSRGJKCHYMY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.372,222-407-4,3460-43-3,1-phenylethyl valerate,1-phenylethyl valerate,CCCCC(=O)OC(C)c1ccccc1,CCCCC(=O)OC(C)c1ccccc1,"InChI=1/C13H18O2/c1-3-4-10-13(14)15-11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3",C13H18O2,,,,,,PTBSIZMEMKOIHX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.879,224-066-7,4189-47-3,2-hydroxypropyl bromoacetate,2-hydroxypropyl bromoacetate,CC(O)COC(=O)CBr,CC(O)COC(=O)CBr,"InChI=1/C5H9BrO3/c1-4(7)3-9-5(8)2-6/h4,7H,2-3H2,1H3",C5H9BrO3,,,,,,YLKMTQHJTPXQOL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.880,224-067-2,4189-86-0,"2,5-dihydro-1H-pyrazol-3-amine dihydrochloride","2,5-dihydro-1H-pyrazol-3-amine dihydrochloride",Cl.Cl.NC1=CCNN1,Cl.Cl.NC1=CCNN1,"InChI=1/C3H7N3.2ClH/c4-3-1-2-5-6-3;;/h1,5-6H,2,4H2;2*1H",C3H7N3.2ClH,,,,,,RDJUSZXKPLSYPX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.883,224-070-9,5/12/4192,"N-(tert-butoxycarbonyl)-3-phenyl-L-alanine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-L-phenylalanine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C14H19NO4.C12H23N/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);11-13H,1-10H2",C14H19NO4.C12H23N,,,,,,JMICVVJOIDXBJR-MERQFXBCSA-N,,,,,,,,,,,
100.021.885,224-073-5,4193-55-9,"Disodium 4,4'-bis[6-anilino-[4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-(cyclohexa-1,3-dien-1-ylamino)-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]vinyl}benzenesulfonate",OCCN(CCO)c1nc(NC2=CC=CCC2)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])n1,OCCN(CCO)c1nc(NC2=CC=CCC2)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])n1,"InChI=1/C40H46N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-5,7-9,11-16,25-26,53-56H,6,10,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/rC40H44N12Na2O10S2/c53-63-65(59,60)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51(17-21-55)18-22-56)15-13-27(33)11-12-28-14-16-32(26-34(28)66(61,62)64-54)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-57)20-24-58/h1-5,7-9,11-16,25-26,55-58H,6,10,17-24H2,(H2,41,43,45,47,49)(H2,42,44,46,48,50)",C40H44N12O10S2.2Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15216,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.885,LBSKKVJOJUTKFC-UHFFFAOYSA-L,,,,,,,,,,,
100.021.886,224-074-0,4194-00-7,2-methoxy-4-prop-1-enylphenyl benzoate,2-methoxy-4-prop-1-en-1-ylphenyl benzoate,COc2cc(ccc2OC(=O)c1ccccc1)C=CC,COc2cc(ccc2OC(=O)c1ccccc1)C=CC,"InChI=1/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-12H,1-2H3",C17H16O3,,,,,,UREJOPRZQKQYLG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.892,224-080-3,4196-87-6,"2-[(benzoyloxy)methyl]-2-methylpropane-1,3-diyl dibenzoate",3-(benzoyloxy)-2-[(benzoyloxy)methyl]-2-methylpropyl benzoate,CC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3,CC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3,"InChI=1/C26H24O6/c1-26(17-30-23(27)20-11-5-2-6-12-20,18-31-24(28)21-13-7-3-8-14-21)19-32-25(29)22-15-9-4-10-16-22/h2-16H,17-19H2,1H3",C26H24O6,,,,,,PJLLCGNQPWXWGL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.898,224-087-1,4197-25-5,"2,3-dihydro-2,2-dimethyl-6-[[1-naphthyl-4-(phenylazo)]azo]-1H-perimidine","2,2-dimethyl-6-{[4-(phenyldiazenyl)-1-naphthyl]diazenyl}-2,3-dihydro-1H-perimidine",CC1(C)Nc2cccc3c(ccc(N1)c23)N=Nc4ccc(N=Nc5ccccc5)c6ccccc46,CC1(C)Nc2cccc3c(ccc(N1)c23)N=Nc4ccc(N=Nc5ccccc5)c6ccccc46,"InChI=1/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3",C29H24N6,,,,,,YCUVUDODLRLVIC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.899,224-088-7,4197-69-7,2-butylhydroquinone,"2-butylbenzene-1,4-diol",CCCCc1cc(O)ccc1O,CCCCc1cc(O)ccc1O,"InChI=1/C10H14O2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h5-7,11-12H,2-4H2,1H3",C10H14O2,,,,,,XRCRJFOGPCJKPF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.900,224-089-2,4197-70-0,2-butyl-p-benzoquinone,"2-butyl-1,4-benzoquinone",CCCCC1=CC(=O)C=CC1=O,CCCCC1=CC(=O)C=CC1=O,"InChI=1/C10H12O2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h5-7H,2-4H2,1H3",C10H12O2,,,,,,AMQCWFKKFGSNNA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.941,221-934-7,3285-00-5,4-methyloctan-4-olide,5-butyl-5-methyldihydrofuran-2(3H)-one,CCCCC1(C)CCC(=O)O1,CCCCC1(C)CCC(=O)O1,"InChI=1/C9H16O2/c1-3-4-6-9(2)7-5-8(10)11-9/h3-7H2,1-2H3",C9H16O2,,,,,,ACJKPCSUVDMEPW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.873,244-977-3,22414-92-2,"Disodium 2,2'-dithiobishexanoate","disodium 2,2'-disulfanediyldihexanoate",[Na+].[Na+].CCCCC(SSC(CCCC)C(=O)[O-])C(=O)[O-],[Na+].[Na+].CCCCC(SSC(CCCC)C(=O)[O-])C(=O)[O-],"InChI=1/C12H22O4S2.2Na/c1-3-5-7-9(11(13)14)17-18-10(12(15)16)8-6-4-2;;/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16);;/q;2*+1/p-2",C12H22O4S2.2Na,,,,,,CCUFANNEZUMQIH-UHFFFAOYSA-L,,,,,,,,,,,
100.042.504,246-770-3,25265-71-8,Oxydipropanol,"1,1'-oxydipropan-1-ol",CCC(O)OC(O)CC,CCC(O)OC(O)CC,"InChI=1/C6H14O3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3",C6H14O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16016,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.504,QYSXYAURTRCDJU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.463,248-926-6,28252-49-5,N-[bis(4-methoxyphenyl)methyl]-N2-[(phenylmethoxy)carbonyl]-L-glutamine,N~2~-[(benzyloxy)carbonyl]-N-[bis(4-methoxyphenyl)methyl]-L-glutamine,COc1ccc(cc1)C(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c3ccc(OC)cc3,COc1ccc(cc1)C(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c3ccc(OC)cc3,"InChI=1/C28H30N2O7/c1-35-22-12-8-20(9-13-22)26(21-10-14-23(36-2)15-11-21)30-25(31)17-16-24(27(32)33)29-28(34)37-18-19-6-4-3-5-7-19/h3-15,24,26H,16-18H2,1-2H3,(H,29,34)(H,30,31)(H,32,33)",C28H30N2O7,,,,,,NXGRPCWLXRUYOF-DEOSSOPVSA-N,,,,,,,,,,,
100.044.465,248-928-7,28261-72-5,Diisopropylbenzenesulphonic acid,"2,3-diisopropylbenzenesulfonic acid",CC(C)c1cccc(c1C(C)C)S(=O)(=O)O,CC(C)c1cccc(c1C(C)C)S(=O)(=O)O,"InChI=1/C12H18O3S/c1-8(2)10-6-5-7-11(16(13,14)15)12(10)9(3)4/h5-9H,1-4H3,(H,13,14,15)",C12H18O3S,,,,,,DFKNUKQYBKNNMA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.471,248-935-5,28279-36-9,"4-[[[2,4-bis(tert-pentyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-[(4-methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide","3-({[2,4-bis(1,1-dimethylbutyl)phenoxy]acetyl}amino)-N-{4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}benzamide",CCCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3N=Nc4ccc(OC)cc4)c5c(Cl)cc(Cl)cc5Cl)c(c1)C(C)(C)CCC,CCCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3N=Nc4ccc(OC)cc4)c5c(Cl)cc(Cl)cc5Cl)c(c1)C(C)(C)CCC,"InChI=1/C43H47Cl3N6O5/c1-8-19-42(3,4)27-13-18-35(32(22-27)43(5,6)20-9-2)57-25-36(53)47-30-12-10-11-26(21-30)40(54)48-39-37(50-49-29-14-16-31(56-7)17-15-29)41(55)52(51-39)38-33(45)23-28(44)24-34(38)46/h10-18,21-24,37H,8-9,19-20,25H2,1-7H3,(H,47,53)(H,48,51,54)",C41H43Cl3N6O5,,,,,,KUFVAOJHHNKJCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.472,248-936-0,28279-41-6,"6-bromo-5-methyl-1H-imidazo[4,5-b]pyridine","6-bromo-5-methyl-1H-imidazo[4,5-b]pyridine",Cc1nc2nc[nH]c2cc1Br,Cc1nc2nc[nH]c2cc1Br,"InChI=1/C7H6BrN3/c1-4-5(8)2-6-7(11-4)10-3-9-6/h2-3H,1H3,(H,9,10,11)",C7H6BrN3,,,,,,ZZFKQUTYXXPQBS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.476,248-940-2,28292-42-4,1-ethylpentylamine,heptan-3-amine,CCCCC(N)CC,CCCCC(N)CC,"InChI=1/C7H17N/c1-3-5-6-7(8)4-2/h7H,3-6,8H2,1-2H3",C7H17N,,,,,,SRMHHEPXZLWKOK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.477,248-941-8,28292-43-5,"1,4-dimethylpentylamine",5-methylhexan-2-amine,CC(C)CCC(C)N,CC(C)CCC(C)N,"InChI=1/C7H17N/c1-6(2)4-5-7(3)8/h6-7H,4-5,8H2,1-3H3",C7H17N,,,,,,IZCBXLKODYZSDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.480,248-944-4,28294-58-8,5-hexadecylsalicylic acid,5-hexadecyl-2-hydroxybenzoic acid,CCCCCCCCCCCCCCCCc1ccc(O)c(c1)C(=O)O,CCCCCCCCCCCCCCCCc1ccc(O)c(c1)C(=O)O,"InChI=1/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26/h17-19,24H,2-16H2,1H3,(H,25,26)",C23H38O3,,,,,,VCLDAIPENLEIRV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.483,248-948-6,28299-41-4,Ditolyl ether,"1,1'-oxybis(3-methylbenzene)",Cc1cccc(Oc2cccc(C)c2)c1,Cc1cccc(Oc2cccc(C)c2)c1,"InChI=1/C14H14O/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10H,1-2H3",C14H14O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10988,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.483,FDLFMPKQBNPIER-UHFFFAOYSA-N,,,,,,,,,,,
100.044.484,248-949-1,28300-45-0,Methylcyclohexyl 3-octyloxiran-2-octanoate,1-methylcyclohexyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OC2(C)CCCCC2,CCCCCCCCC1OC1CCCCCCCC(=O)OC2(C)CCCCC2,"InChI=1/C25H46O3/c1-3-4-5-6-8-12-17-22-23(27-22)18-13-9-7-10-14-19-24(26)28-25(2)20-15-11-16-21-25/h22-23H,3-21H2,1-2H3",C25H46O3,,,,,,LPFZLFOAAJJMIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.126,249-654-0,29462-95-1,"Trisodium pentahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","trisodium pentahydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.3Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;/q;3*+1/p-8",C6H20N2O12P4.3Na,,,,,,ZWDUAVFAIODICW-UHFFFAOYSA-F,,,,,,,,,,,
100.042.181,246-415-2,24691-15-4,"cis-3-ethoxy-1,1,5-trimethylcyclohexane","3-ethoxy-1,1,5-trimethylcyclohexane",CCO[C@@H]1C[C@H](C)CC(C)(C)C1,CCO[C@@H]1C[C@H](C)CC(C)(C)C1,"InChI=1/C11H22O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h9-10H,5-8H2,1-4H3",C11H22O,,,,,,JVBNHJDWWBSWLE-VHSXEESVSA-N,,,,,,,,,,,
100.018.518,220-369-3,2740-94-5,3-benzyl-1-methylthiourea,1-benzyl-3-methylthiourea,CNC(=S)NCc1ccccc1,CNC(=S)NCc1ccccc1,"InChI=1/C9H12N2S/c1-10-9(12)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12)",C9H12N2S,,,,,,GDUBTTXVKWIAKV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.519,220-370-9,2741-16-4,Isopropoxybenzene,isopropoxybenzene,CC(C)Oc1ccccc1,CC(C)Oc1ccccc1,"InChI=1/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3",C9H12O,,,,,,ZYNMJJNWXVKJJV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.520,220-371-4,2741-57-3,1-(dichloromethyl)-2-(trichloromethyl)benzene,1-(dichloromethyl)-2-(trichloromethyl)benzene,ClC(Cl)c1ccccc1C(Cl)(Cl)Cl,ClC(Cl)c1ccccc1C(Cl)(Cl)Cl,"InChI=1/C8H5Cl5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H",C8H5Cl5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6603,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.520,UXMNSLMVCBBGCW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.531,220-384-5,2746-19-2,"(1a,2a,3ß,6ß)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride","3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione",O=C1OC(=O)C2C3CC(C=C3)C12,O=C1OC(=O)C2C3CC(C=C3)C12,"InChI=1/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2",C9H8O3,,,,,,KNDQHSIWLOJIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.907,224-097-6,4199-88-6,"5-nitro-1,10-phenanthroline","5-nitro-1,10-phenanthroline",[O-][N+](=O)c1cc2cccnc2c3ncccc13,[O-][N+](=O)c1cc2cccnc2c3ncccc13,InChI=1/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H,C12H7N3O2,,,,,,PDDBTWXLNJNICS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.918,224-108-4,2/02/4202,(isopropylidene)bis(1-methyl-1-phenylethyl) peroxide,"1,1'-[propane-2,2-diylbis(dioxypropane-2,2-diyl)]dibenzene",CC(C)(OOC(C)(C)c1ccccc1)OOC(C)(C)c2ccccc2,CC(C)(OOC(C)(C)c1ccccc1)OOC(C)(C)c2ccccc2,"InChI=1/C21H28O4/c1-19(2,17-13-9-7-10-14-17)22-24-21(5,6)25-23-20(3,4)18-15-11-8-12-16-18/h7-16H,1-6H3",C21H28O4,,,,,,FVCYRIQNOFIDCH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.921,224-112-6,4202-74-8,Aminoacetic anhydride,aminoacetic anhydride (non-preferred name),NCC(=O)OC(=O)CN,NCC(=O)OC(=O)CN,"InChI=1/C4H8N2O3/c5-1-3(7)9-4(8)2-6/h1-2,5-6H2",C4H8N2O3,,,,,,YTMCUIACOKRXQA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.925,224-116-8,4203-89-8,2-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethyl methacrylate,2-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethyl methacrylate,CC(=C)C(=O)OCCN1CCOC12CCCCC2,CC(=C)C(=O)OCCN1CCOC12CCCCC2,"InChI=1/C14H23NO3/c1-12(2)13(16)17-10-8-15-9-11-18-14(15)6-4-3-5-7-14/h1,3-11H2,2H3",C14H23NO3,,,,,,DCEYPVNNJBGUHA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.927,224-118-9,4205-23-6,D-gulose,D-gulose,OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-FSIIMWSLSA-N,,,,,,,,,,,
100.021.932,224-124-1,4206-75-1,Chlorophenylsilane,chloro(phenyl)silane,Cl[SiH2]c1ccccc1,Cl[SiH2]c1ccccc1,"InChI=1/C6H7ClSi/c7-8-6-4-2-1-3-5-6/h1-5H,8H2",C6H7ClSi,,,,,,NBWIIOQJUKRLKW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.933,224-125-7,4206-94-4,Methylphosphinic acid,methylphosphinic acid,CP(=O)O,CP(=O)O,"InChI=1/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)",CH5O2P,,,,,,BCDIWLCKOCHCIH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.935,224-127-8,4207-56-1,Phenyltrimethylammonium tribromide,phenyltrimethylammonium tribromide,[Br-].[Br-].[Br-].C[N+](C)(C)c1ccccc1.C[N+](C)(C)c2ccccc2.C[N+](C)(C)c3ccccc3,[Br-].[Br-].[Br-].C[N+](C)(C)c1ccccc1.C[N+](C)(C)c2ccccc2.C[N+](C)(C)c3ccccc3,"InChI=1/3C9H14N.3BrH/c3*1-10(2,3)9-7-5-4-6-8-9;;;/h3*4-8H,1-3H3;3*1H/q3*+1;;;/p-3",C9H14N.Br3,,,,,,KNRQKQMCUXJVDY-UHFFFAOYSA-K,,,,,,,,,,,
100.021.942,224-135-1,4209-90-9,"2,2-dimethylhexan-3-ol","2,2-dimethylhexan-3-ol",CCCC(O)C(C)(C)C,CCCC(O)C(C)(C)C,"InChI=1/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3",C8H18O,,,,,,PFHLGQKVKALLMD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.944,224-137-2,4210-32-6,4-tert-butylbenzonitrile,4-tert-butylbenzonitrile,CC(C)(C)c1ccc(cc1)C#N,CC(C)(C)c1ccc(cc1)C#N,"InChI=1/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3",C11H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10650,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.944,IIZURLNRIMKEDL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.953,224-147-7,4215-80-9,"1,1,1-triphenylsilylamine","1,1,1-triphenylsilanamine",N[Si](c1ccccc1)(c2ccccc2)c3ccccc3,N[Si](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H17NSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,19H2",C18H17NSi,,,,,,GLQOALGKMKUSBF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.992,221-990-2,5/01/3307,p-(1-propylpentyl)phenol,4-(1-propylpentyl)phenol,CCCCC(CCC)c1ccc(O)cc1,CCCCC(CCC)c1ccc(O)cc1,"InChI=1/C14H22O/c1-3-5-7-12(6-4-2)13-8-10-14(15)11-9-13/h8-12,15H,3-7H2,1-2H3",C14H22O,,,,,,PMYJONITFALWEP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.996,221-994-4,3310-68-7,"N-phenyl-1H-1,2,4-triazole-3,5-diamine","N-phenyl-4H-1,2,4-triazole-3,5-diamine",Nc1nnc(Nc2ccccc2)[nH]1,Nc1nnc(Nc2ccccc2)[nH]1,"InChI=1/C8H9N5/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13)",C8H9N5,,,,,,SFXBTXYONCDQJY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.753,223-927-4,4124-42-9,Ammonium toluene-4-sulphonate,ammonium 4-methylbenzenesulfonate,[NH4+].Cc1ccc(cc1)S(=O)(=O)[O-],[NH4+].Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.H3N/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H3",C7H8O3S.H3N,,,,,,GDCXBZMWKSBSJG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.971,247-283-9,25822-21-3,Silver thallium dinitrate,silver thallium dinitrate,[Ag+].[Tl+].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ag+].[Tl+].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ag.2NO3.Tl/c;2*2-1(3)4;/q+1;2*-1;+1,Ag.2HNO3.Tl,,,,,,PYXVRPHQRYAKIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.973,247-286-5,25826-31-7,N-butoxy-4-methoxynaphthoimide,"2-butoxy-6-methoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",CCCCON1C(=O)c2cccc3c(OC)ccc(C1=O)c23,CCCCON1C(=O)c2cccc3c(OC)ccc(C1=O)c23,"InChI=1/C17H17NO4/c1-3-4-10-22-18-16(19)12-7-5-6-11-14(21-2)9-8-13(15(11)12)17(18)20/h5-9H,3-4,10H2,1-2H3",C17H17NO4,,,,,,AABXRMHVHPQKKP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.974,247-287-0,25826-34-0,"Disodium 4,4'-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]","disodium 4,4'-[methylenebis(4,1-phenyleneimino)]bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate)",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cc5ccc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)[O-])cc5)cc4)cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cc5ccc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)[O-])cc5)cc4)cc1S(=O)(=O)[O-],"InChI=1/C41H28N4O10S2.2Na/c42-36-30(56(50,51)52)18-28(32-34(36)40(48)26-7-3-1-5-24(26)38(32)46)44-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)45-29-19-31(57(53,54)55)37(43)35-33(29)39(47)25-6-2-4-8-27(25)41(35)49;;/h1-16,18-19,44-45H,17,42-43H2,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2",C41H28N4O10S2.2Na,,,,,,RISWUWJFSHOUBJ-UHFFFAOYSA-L,,,,,,,,,,,
100.020.784,222-861-3,3637-61-4,Cyclopentanemethanol,cyclopentylmethanol,OCC1CCCC1,OCC1CCCC1,"InChI=1/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5H2",C6H12O,,,,,,ISQVBYGGNVVVHB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.788,222-866-0,3639-19-8,Difetarsone,"[ethane-1,2-diylbis(imino-4,1-phenylene)]bis(arsonic acid)",O[As](=O)(O)c1ccc(NCCNc2ccc(cc2)[As](=O)(O)O)cc1,O[As](=O)(O)c1ccc(NCCNc2ccc(cc2)[As](=O)(O)O)cc1,"InChI=1/C14H18As2N2O6/c19-15(20,21)11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(4-8-14)16(22,23)24/h1-8,17-18H,9-10H2,(H2,19,20,21)(H2,22,23,24)",C14H18As2N2O6,,,,,,YQVALJGIKVYRNI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.789,222-867-6,3639-21-2,2-ethyl-2-hydroxybutyric acid,2-ethyl-2-hydroxybutanoic acid,CCC(O)(CC)C(=O)O,CCC(O)(CC)C(=O)O,"InChI=1/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)",C6H12O3,,,,,,LXVSANCQXSSLPA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.791,222-869-7,3641-14-3,"Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate","methyl 5-amino-4H-1,2,4-triazole-3-carboxylate",COC(=O)c1nnc(N)[nH]1,COC(=O)c1nnc(N)[nH]1,"InChI=1/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8)",C4H6N4O2,,,,,,OSZNPKRMPBUQLB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.794,222-872-3,3644-12-0,N-(methoxymethyl)methacrylamide,N-(methoxymethyl)-2-methylacrylamide,COCNC(=O)C(=C)C,COCNC(=O)C(=C)C,"InChI=1/C6H11NO2/c1-5(2)6(8)7-4-9-3/h1,4H2,2-3H3,(H,7,8)",C6H11NO2,,,,,,YOZHLACIXDCHPV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.815,222-895-9,3653-48-3,MCPA,sodium (4-chloro-2-methylphenoxy)acetate,[Na+].Clc1cc(C)c(OCC([O-])=O)cc1,[Na+].Clc1cc(C)c(OCC([O-])=O)cc1,"InChI=1/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1",C9H9ClO3.Na,,,,,,STAPBGVGYWCRTF-UHFFFAOYSA-M,,,,,,,,,,,
100.020.826,222-908-8,3658-77-3,"4-hydroxy-2,5-dimethylfuran-2(3H)-one","4-hydroxy-2,5-dimethylfuran-3(2H)-one",CC1OC(=C(O)C1=O)C,CC1OC(=C(O)C1=O)C,"InChI=1/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3",C6H8O3,,,,,,INAXVXBDKKUCGI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.827,222-909-3,3658-79-5,"1,1-diethoxypentane","1,1-diethoxypentane",CCCCC(OCC)OCC,CCCCC(OCC)OCC,"InChI=1/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3",C9H20O2,,,,,,XCWKYQWOLSOBCC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.832,216-314-8,1558-17-4,"4,6-dimethylpyrimidine","4,6-dimethylpyrimidine",Cc1cc(C)ncn1,Cc1cc(C)ncn1,"InChI=1/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3",C6H8N2,,,,,,LSBIUXKNVUBKRI-UHFFFAOYSA-N,,,,,,,,,,,
100.014.834,216-316-9,1558-25-4,Trichloro(chloromethyl)silane,trichloro(chloromethyl)silane,ClC[Si](Cl)(Cl)Cl,ClC[Si](Cl)(Cl)Cl,"InChI=1/CH2Cl4Si/c2-1-6(3,4)5/h1H2",CH2Cl4Si,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6970,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.834,FYTPGBJPTDQJCG-UHFFFAOYSA-N,,,,,,,,,,,
100.014.835,216-317-4,1558-31-2,Dichloro(dichloromethyl)methylsilane,"(1,1,2,2-tetrachloroethyl)silane",[SiH3]C(Cl)(Cl)C(Cl)Cl,[SiH3]C(Cl)(Cl)C(Cl)Cl,"InChI=1/C2H4Cl4Si/c3-1(4)2(5,6)7/h1H,7H3",C2H4Cl4Si,,,,,,KFOKQLGWTIPQQW-UHFFFAOYSA-N,,,,,,,,,,,
100.014.841,216-324-2,1559-39-3,1-(2-butylbutoxy)propan-2-ol,1-[(2-ethylhexyl)oxy]propan-2-ol,CCCCC(CC)COCC(C)O,CCCCC(CC)COCC(C)O,"InChI=1/C11H24O2/c1-4-6-7-11(5-2)9-13-8-10(3)12/h10-12H,4-9H2,1-3H3",C11H24O2,,,,,,BTIMJGKRHNTHIU-UHFFFAOYSA-N,,,,,,,,,,,
100.014.843,216-326-3,1559-87-1,"1,3-dibromotetrafluorobenzene","1,3-dibromo-2,4,5,6-tetrafluorobenzene",Fc1c(F)c(Br)c(F)c(Br)c1F,Fc1c(F)c(Br)c(F)c(Br)c1F,InChI=1/C6Br2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10,C6Br2F4,,,,,,UCWKDDQEZQRGDR-UHFFFAOYSA-N,,,,,,,,,,,
100.014.844,216-327-9,1559-88-2,"1-bromo-2,3,5,6-tetrafluorobenzene","3-bromo-1,2,4,5-tetrafluorobenzene",Fc1cc(F)c(F)c(Br)c1F,Fc1cc(F)c(F)c(Br)c1F,InChI=1/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H,C6HBrF4,,,,,,YHAFCGSUIAFUCX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.943,221-936-8,3285-87-8,"3ß-hydroxypregna-5,16-dien-20-one 3-propionate","20-oxopregna-5,16-dien-3-yl propionate",CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1,CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1,"InChI=1/C24H34O3/c1-5-22(26)27-17-10-12-23(3)16(14-17)6-7-18-20-9-8-19(15(2)25)24(20,4)13-11-21(18)23/h6,8,17-18,20-21H,5,7,9-14H2,1-4H3",C24H34O3,,,,,,HGXGILYYMJORSA-GBOSRWDWSA-N,,,,,,,,,,,
100.019.944,221-937-3,3286-46-2,Sulbutiamine,"disulfanediylbis-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}pent-2-ene-3,5-diyl bis(2-methylpropanoate)",Nc2nc(C)ncc2CN(C=O)C(C)=C(CCOC(=O)C(C)C)SSC(CCOC(=O)C(C)C)=C(C)N(C=O)Cc1cnc(C)nc1N,Nc2nc(C)ncc2CN(C=O)C(C)=C(CCOC(=O)C(C)C)SSC(CCOC(=O)C(C)C)=C(C)N(C=O)Cc1cnc(C)nc1N,"InChI=1/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)",C32H46N8O6S2,,,,,,CKHJPWQVLKHBIH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.956,221-950-4,3290-92-4,Propylidynetrimethyl trimethacrylate,"2,2-bis[(methacryloyloxy)methyl]butyl methacrylate (non-preferred name)",CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,"InChI=1/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3",C18H26O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13937,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.956,OKKRPWIIYQTPQF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.966,221-961-4,3294-58-4,(bromodichloromethyl)phenylmercury,[bromo(dichloro)methyl](phenyl)mercury,ClC(Cl)(Br)[Hg]c1ccccc1,ClC(Cl)(Br)[Hg]c1ccccc1,"InChI=1/C6H5.CBrCl2.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/rC7H5BrCl2Hg/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H",C7H5BrCl2Hg,,,,,,RGANFHLXCJSHAV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.967,221-963-5,3294-60-8,Phenyl(tribromomethyl)mercury,phenyl(tribromomethyl)mercury,BrC(Br)(Br)[Hg]c1ccccc1,BrC(Br)(Br)[Hg]c1ccccc1,"InChI=1/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/rC7H5Br3Hg/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H",C7H5Br3Hg,,,,,,PLHSKXBFZPAQOD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.974,221-970-3,3299-38-5,4-(diethylamino)butan-2-one,4-(diethylamino)butan-2-one,CCN(CC)CCC(=O)C,CCN(CC)CCC(=O)C,"InChI=1/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3",C8H17NO,,,,,,XLEOCTUCGZANAC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.982,221-979-2,3303-84-2,"N-[(1,1-dimethylethoxy)carbonyl]-ß-alanine",N-(tert-butoxycarbonyl)-beta-alanine,CC(C)(C)OC(=O)NCCC(=O)O,CC(C)(C)OC(=O)NCCC(=O)O,"InChI=1/C8H15NO4/c1-8(2,3)13-7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)",C8H15NO4,,,,,,WCFJUSRQHZPVKY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.989,221-987-6,3306-52-3,"[1S-(1a,2a,11ba)]-1,7,8,11b-tetrahydro-1-hydroxy-2-methoxy-11b-methylcyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2H)-trione","1-hydroxy-2-methoxy-11b-methyl-1,7,8,11b-tetrahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2H)-trione",COC1C(O)C2(C)c3ccc4C(=O)CCc4c3C(=O)c5occ(C1=O)c25,COC1C(O)C2(C)c3ccc4C(=O)CCc4c3C(=O)c5occ(C1=O)c25,"InChI=1/C20H16O6/c1-20-11-5-3-8-9(4-6-12(8)21)13(11)16(23)17-14(20)10(7-26-17)15(22)18(25-2)19(20)24/h3,5,7,18-19,24H,4,6H2,1-2H3",C20H16O6,,,,,,YEIGUXGHHKAURB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.954,220-848-7,2917-46-6,Bis(chloromethyl)dimethylsilane,bis(chloromethyl)(dimethyl)silane,C[Si](C)(CCl)CCl,C[Si](C)(CCl)CCl,"InChI=1/C4H10Cl2Si/c1-7(2,3-5)4-6/h3-4H2,1-2H3",C4H10Cl2Si,,,,,,TVRFAOJPBXYIRM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.955,220-849-2,2917-65-9,Trimethylsilylmethyl acetate,(trimethylsilyl)methyl acetate,CC(=O)OC[Si](C)(C)C,CC(=O)OC[Si](C)(C)C,"InChI=1/C6H14O2Si/c1-6(7)8-5-9(2,3)4/h5H2,1-4H3",C6H14O2Si,,,,,,TXZMVBJSLYBOMN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.958,220-852-9,2918-23-2,2-hydroxy-1-methylethyl acrylate,2-hydroxy-1-methylethyl acrylate,CC(CO)OC(=O)C=C,CC(CO)OC(=O)C=C,"InChI=1/C6H10O3/c1-3-6(8)9-5(2)4-7/h3,5,7H,1,4H2,2H3",C6H10O3,,,,,,UXYMHGCNVRUGNO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.961,220-856-0,2918-83-4,4'-hydroxyazobenzene-4-sulphonic acid,4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid,Oc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,Oc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,"InChI=1/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)",C12H10N2O4S,,,,,,CNYMBHPFLJWLJW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.971,220-867-0,2922-28-3,Adenine hydrochloride,9H-purin-6-amine hydrochloride,Cl.Nc1ncnc2[nH]cnc12,Cl.Nc1ncnc2[nH]cnc12,"InChI=1/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H",C5H5N5.ClH,,,,,,UQVDQSWZQXDUJB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.972,220-868-6,2922-40-9,4-nitro-DL-phenylalanine,4-nitrophenylalanine,N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O,N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O,"InChI=1/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)",C9H10N2O4,,,,,,GTVVZTAFGPQSPC-QMMMGPOBSA-N,,,,,,,,,,,
100.018.974,220-870-7,2922-44-3,Dextromoramide hydrogen (+)-tartrate,"4-(2-methyl-4-oxo-3,3-diphenyl-4-pyrrolidin-1-ylbutyl)morpholine 2,3-dihydroxysuccinate (salt)",C[C@H](CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4.O[C@H]([C@@H](O)C(=O)O)C(=O)O,C[C@H](CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4.O[C@H]([C@@H](O)C(=O)O)C(=O)O,"InChI=1/C25H32N2O2.C4H6O6/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27;5-1(3(7)8)2(6)4(9)10/h2-7,10-13,21H,8-9,14-20H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C25H32N2O2.C4H6O6,,,,,,ACRMUSVWIFZVSM-JTHHODAVSA-N,,,,,,,,,,,
100.042.189,246-424-1,24704-54-9,"p-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]allylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(5-hydroxy-3-methyl-4-{3-[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=O)C1=CC=Cc2c(C)nn(c2O)c3ccc(cc3)S(=O)(=O)O)c4ccc(cc4)S(=O)(=O)O,CC1=NN(C(=O)C1=CC=Cc2c(C)nn(c2O)c3ccc(cc3)S(=O)(=O)O)c4ccc(cc4)S(=O)(=O)O,"InChI=1/C23H20N4O8S2/c1-14-20(22(28)26(24-14)16-6-10-18(11-7-16)36(30,31)32)4-3-5-21-15(2)25-27(23(21)29)17-8-12-19(13-9-17)37(33,34)35/h3-13,28H,1-2H3,(H,30,31,32)(H,33,34,35)",C23H20N4O8S2,,,,,,FNDCLGUEMQQMSV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.193,246-428-3,24719-13-9,Triammonium arsenate,triammonium arsenate,[NH4+].[NH4+].[NH4+].[O-][As](=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[O-][As](=O)([O-])[O-],"InChI=1/AsH3O4.3H3N/c2-1(3,4)5;;;/h(H3,2,3,4,5);3*1H3",AsH3O4.3H3N,,,,,,SNSGFXVMSAYXTC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.198,246-434-6,24730-10-7,"5'a-benzyl-9,10a-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate","5'-benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (salt)",CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CS(=O)(=O)O,CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CS(=O)(=O)O,"InChI=1/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)",C35H41N5O5.CH4O3S,,,,,,SPXACGZWWVIDGR-SPZWACKZSA-N,,,,,,,,,,,
100.042.200,246-436-7,24731-31-5,N-ethyl-N-(2-hydroxyethyl)stearamide,N-ethyl-N-(2-hydroxyethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)N(CC)CCO,CCCCCCCCCCCCCCCCCC(=O)N(CC)CCO,"InChI=1/C22H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23(4-2)20-21-24/h24H,3-21H2,1-2H3",C22H45NO2,,,,,,AMPMLHRGDKAIBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.202,246-438-8,24731-73-5,"N,N'-1,4-phenylenebis[3-oxobutyramide]","N,N'-1,4-phenylenebis(3-oxobutanamide)",CC(=O)CC(=O)Nc1ccc(NC(=O)CC(=O)C)cc1,CC(=O)CC(=O)Nc1ccc(NC(=O)CC(=O)C)cc1,"InChI=1/C14H16N2O4/c1-9(17)7-13(19)15-11-3-5-12(6-4-11)16-14(20)8-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,20)",C14H16N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5230,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.202,OWGNKUKYZPVEFS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.209,246-446-1,24755-74-6,"5-allyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol","5-allyl-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol",OC1(CC=C)c2ccccc2CCc3ccccc13,OC1(CC=C)c2ccccc2CCc3ccccc13,"InChI=1/C18H18O/c1-2-13-18(19)16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h2-10,19H,1,11-13H2",C18H18O,,,,,,NRNAOONGDDGGHL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.219,246-457-1,24774-58-1,"2,5-dibromohexane","2,5-dibromohexane",CC(Br)CCC(C)Br,CC(Br)CCC(C)Br,"InChI=1/C6H12Br2/c1-5(7)3-4-6(2)8/h5-6H,3-4H2,1-2H3",C6H12Br2,,,,,,MQYLGFBWOZXHHF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.011,249-528-5,29232-93-7,Pirimiphos-methyl,"O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate",CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,"InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3",C11H20N3O3PS,,,,,,QHOQHJPRIBSPCY-UHFFFAOYSA-N,Positive,SM841002;UF402801|UF402802|UF402803|UF402804|UF402817|UF402818|UF402819,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55|HCD55|HCD80|CID35,306.1035:164.1182:108.0556;108.0555:164.1182:95.0603|108.0555:124.9819:95.0603|278.0721:164.1182:274.0773|278.0722:164.1182:274.0773|169.0794:153.1021:96.9507|100.0215:169.0794:96.9507|169.0793:153.1021:100.0213,CASMI_2016;UFZ,,,,,
100.045.012,249-529-0,29239-07-4,2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl formate,5-isopropenyl-2-methylcyclohex-2-en-1-yl formate,CC(=C)C1CC=C(C)C(C1)OC=O,CC(=C)C1CC=C(C)C(C1)OC=O,"InChI=1/C11H16O2/c1-8(2)10-5-4-9(3)11(6-10)13-7-12/h4,7,10-11H,1,5-6H2,2-3H3",C11H16O2,,,,,,BPBPWBGJZQBEKD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.028,249-546-3,29293-06-9,"3-methylpent-2-ene-1,5-diol","3-methylpent-2-ene-1,5-diol",CC(CCO)=CCO,CC(CCO)=CCO,"InChI=1/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3",C6H12O2,,,,,,TWUDHDJKTHYMGY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.030,249-548-4,29311-68-0,3-[(aminocarbonyl)amino]propyltrimethylammonium methyl sulphate,"3-(carbamoylamino)-N,N,N-trimethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CCCNC(=O)N,COS(=O)(=O)[O-].C[N+](C)(C)CCCNC(=O)N,"InChI=1/C7H17N3O.CH4O4S/c1-10(2,3)6-4-5-9-7(8)11;1-5-6(2,3)4/h4-6H2,1-3H3,(H2-,8,9,11);1H3,(H,2,3,4)",C7H18N3O.CH3O4S,,,,,,ZMYSOCZREZAKMT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.033,249-552-6,29315-87-5,D-glucosylurea,N-carbamoylhexopyranosylamine,NC(=O)NC1OC(CO)C(O)C(O)C1O,NC(=O)NC1OC(CO)C(O)C(O)C1O,"InChI=1/C7H14N2O6/c8-7(14)9-6-5(13)4(12)3(11)2(1-10)15-6/h2-6,10-13H,1H2,(H3,8,9,14)",C7H14N2O6,,,,,,FKWQEFWENKGUGF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.035,249-554-7,29317-52-0,3-(isononyloxy)propylamine,3-[(7-methyloctyl)oxy]propan-1-amine,CC(C)CCCCCCOCCCN,CC(C)CCCCCCOCCCN,"InChI=1/C12H27NO/c1-12(2)8-5-3-4-6-10-14-11-7-9-13/h12H,3-11,13H2,1-2H3",C12H27NO,,,,,,HYEOYFUOERFWIX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.046,249-566-2,29333-57-1,"3-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridyl)azo]phenyl dimethylsulphamate","3-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]phenyl dimethylsulfamate",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1cccc(OS(=O)(=O)N(C)C)c1)=C(\\O)N2C,O=C2C(/C#N)=C(/C)\C(\N=Nc1cccc(OS(=O)(=O)N(C)C)c1)=C(\O)N2C,"InChI=1/C16H17N5O5S/c1-10-13(9-17)15(22)21(4)16(23)14(10)19-18-11-6-5-7-12(8-11)26-27(24,25)20(2)3/h5-8,23H,1-4H3",C16H17N5O5S,,,,,,WNHCFYIFWSOSMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.048,249-568-3,29334-16-5,p-bromobenzhydryl alcohol,(4-bromophenyl)(phenyl)methanol,OC(c1ccccc1)c2ccc(Br)cc2,OC(c1ccccc1)c2ccc(Br)cc2,"InChI=1/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H",C13H11BrO,,,,,,WTIWDBNPPSHSCB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.757,223-932-1,4124-88-3,Non-3-enoic acid,non-3-enoic acid,OC(=O)CC=CCCCCC,OC(=O)CC=CCCCCC,"InChI=1/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11)",C9H16O2,,,,,,ZBPYTVBKHKUNHG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.759,223-934-2,4125-25-1,Tris(2-methylpropyl)phosphine,triisobutylphosphine,CC(C)CP(CC(C)C)CC(C)C,CC(C)CP(CC(C)C)CC(C)C,"InChI=1/C12H27P/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27P,,,,,,DAGQYUCAQQEEJD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.763,223-938-4,4128-31-8,(±)-octan-2-ol,octan-2-ol,CCCCCCC(C)O,CCCCCCC(C)O,"InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",C8H18O,,,,,,SJWFXCIHNDVPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.764,223-940-5,4128-37-4,"1,3-diisopropylurea","1,3-diisopropylurea",CC(C)NC(=O)NC(C)C,CC(C)NC(=O)NC(C)C,"InChI=1/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)",C7H16N2O,,,,,,BGRWYRAHAFMIBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.767,223-943-1,9/08/4130,Triacetoxyvinylsilane,"2-silylethene-1,1,2-triyl triacetate",CC(=O)OC(=C(OC(=O)C)OC(=O)C)[SiH3],CC(=O)OC(=C(OC(=O)C)OC(=O)C)[SiH3],"InChI=1/C8H12O6Si/c1-4(9)12-7(13-5(2)10)8(15)14-6(3)11/h1-3,15H3",C8H12O6Si,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7617,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.767,KQVYEDNFMJZQDM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.770,223-946-8,4130-54-5,Stearohydrazide,octadecanehydrazide,CCCCCCCCCCCCCCCCCC(=O)NN,CCCCCCCCCCCCCCCCCC(=O)NN,"InChI=1/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h2-17,19H2,1H3,(H,20,21)",C18H38N2O,,,,,,BYTFESSQUGDMQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.776,223-953-6,4132-86-9,N-benzyloxycarbonyl-DL-alanine,N-[(benzyloxy)carbonyl]-L-alanine,OC(=O)[C@H](C)NC(=O)OCc1ccccc1,OC(=O)[C@H](C)NC(=O)OCc1ccccc1,"InChI=1/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)",C11H13NO4,,,,,,TYRGLVWXHJRKMT-QMMMGPOBSA-N,,,,,,,,,,,
100.021.787,223-965-1,4140-83-4,2-amino-4-chlorobenzenesulphonamide,2-amino-4-chlorobenzenesulfonamide,Nc1cc(Cl)ccc1S(=O)(=O)N,Nc1cc(Cl)ccc1S(=O)(=O)N,"InChI=1/C6H7ClN2O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)",C6H7ClN2O2S,,,,,,HWQDHHCUOZZFIG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.791,223-969-3,4146-30-9,Framycetin sulphate,"4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside sulfate (salt)",NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.OS(=O)(=O)O,NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.OS(=O)(=O)O,"InChI=1/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)",C23H46N6O13.3H2O4S,,,,,,OIXVKQDWLFHVGR-WQDIDPJDSA-N,,,,,,,,,,,
100.018.999,220-897-4,2929-95-5,"Zinc bis(O,O-diisopropyl) bis(dithiophosphate)","zinc bis(O,O-diisopropyl dithiophosphate)",CC(C)OP(=S)(OC(C)C)S[Zn]SP(=S)(OC(C)C)OC(C)C,CC(C)OP(=S)(OC(C)C)S[Zn]SP(=S)(OC(C)C)OC(C)C,"InChI=1/2C6H15O2PS2.Zn/c2*1-5(2)7-9(10,11)8-6(3)4;/h2*5-6H,1-4H3,(H,10,11);/q;;+2/p-2/rC12H28O4P2S4Zn/c1-9(2)13-17(19,14-10(3)4)21-23-22-18(20,15-11(5)6)16-12(7)8/h9-12H,1-8H3",C6H15O2PS2.1/2Zn,,,,,,CVDZJQFKUVADND-UHFFFAOYSA-L,,,,,,,,,,,
100.020.501,222-550-2,3528-51-6,1-benzyl-1H-pyrazol-5-amine,1-benzyl-1H-pyrazol-5-amine,Nc1ccnn1Cc2ccccc2,Nc1ccnn1Cc2ccccc2,"InChI=1/C10H11N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h1-7H,8,11H2",C10H11N3,,,,,,CJDYNUBRSBSSJU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.504,222-553-9,3528-65-2,"N-(2-aminoethyl)-N'-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine","N-(2-aminoethyl)-N'-[2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCCC=CCCCCCCC\\C1=N\\CCN1CCNCCNCCN,CCCCCCCCC=CCCCCCCC\C1=N\CCN1CCNCCNCCN,"InChI=1/C26H53N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-30-23-25-31(26)24-22-29-21-20-28-19-18-27/h9-10,28-29H,2-8,11-25,27H2,1H3",C26H53N5,,,,,,NINKGRYZTNGWOE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.509,222-559-1,3529-10-0,"N,N-dimethylbutane-1,4-diamine","N,N-dimethylbutane-1,4-diamine",CN(C)CCCCN,CN(C)CCCCN,"InChI=1/C6H16N2/c1-8(2)6-4-3-5-7/h3-7H2,1-2H3",C6H16N2,,,,,,GCOWZPRIMFGIDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.512,222-562-8,3530-36-7,Phenethyl acrylate,2-phenylethyl acrylate,C=CC(=O)OCCc1ccccc1,C=CC(=O)OCCc1ccccc1,"InChI=1/C11H12O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2",C11H12O2,,,,,,HPSGLFKWHYAKSF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.516,222-567-5,3535-30-6,4-ethoxy-m-anisic acid,4-ethoxy-3-methoxybenzoic acid,CCOc1ccc(cc1OC)C(=O)O,CCOc1ccc(cc1OC)C(=O)O,"InChI=1/C10H12O4/c1-3-14-8-5-4-7(10(11)12)6-9(8)13-2/h4-6H,3H2,1-2H3,(H,11,12)",C10H12O4,,,,,,LBYKODYNFRCBIR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.520,222-571-7,3535-84-0,Thallium thiocyanate,thallium(1+) thiocyanate,[Tl+].[S-]C#N,[Tl+].[S-]C#N,InChI=1/CHNS.Tl/c2-1-3;/h3H;/q;+1/p-1,CHNS.Tl,,,,,,JSSGUHHJIJMEQF-UHFFFAOYSA-M,,,,,,,,,,,
100.014.847,216-331-0,1560-42-5,Sodium dioctyl phosphate,sodium dioctyl phosphate,[Na+].CCCCCCCCOP(=O)([O-])OCCCCCCCC,[Na+].CCCCCCCCOP(=O)([O-])OCCCCCCCC,"InChI=1/C16H35O4P.Na/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1",C16H35O4P.Na,,,,,,XCPXWEJIDZSUMF-UHFFFAOYSA-M,,,,,,,,,,,
100.014.849,216-333-1,1560-69-6,Cobalt(2+) propionate,cobalt(2+) dipropanoate,[Co+2].CCC(=O)[O-].CCC(=O)[O-],[Co+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Co/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.1/2Co,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13722,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.849,TZWGXFOSKIHUPW-UHFFFAOYSA-L,,,,,,,,,,,
100.014.857,216-342-0,1561-99-5,Potassium 2-hydroxyethanesulphonate,potassium 2-hydroxyethanesulfonate,[K+].OCCS(=O)(=O)[O-],[K+].OCCS(=O)(=O)[O-],"InChI=1/C2H6O4S.K/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1",C2H6O4S.K,,,,,,DMNPUBKRNRRYMC-UHFFFAOYSA-M,,,,,,,,,,,
100.014.859,216-344-1,1562-71-6,"[2-(3,6-dihydro-4-methyl-1(2H)-pyridyl)ethyl]guanidinium sulphate","bis[N-carbamimidoyl-2-(4-methyl-3,6-dihydropyridin-1(2H)-yl)ethanaminium] sulfate",CC1=CCN(CC[NH2+]C(=N)N)CC1.CC2=CCN(CC[NH2+]C(=N)N)CC2.[O-]S(=O)(=O)[O-],CC1=CCN(CC[NH2+]C(=N)N)CC1.CC2=CCN(CC[NH2+]C(=N)N)CC2.[O-]S(=O)(=O)[O-],"InChI=1/2C9H18N4.H2O4S/c2*1-8-2-5-13(6-3-8)7-4-12-9(10)11;1-5(2,3)4/h2*2H,3-7H2,1H3,(H4,10,11,12);(H2,1,2,3,4)",C9H18N4.H2O4S,,,,,,LLDVQNBDOLRHBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.014.865,216-350-4,1563-38-8,"2,3-dihydro-2,2-dimethylbenzofuran-7-ol","2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol",CC1(C)Cc2cccc(O)c2O1,CC1(C)Cc2cccc(O)c2O1,"InChI=1/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3",C10H12O2,,,,,,WJGPNUBJBMCRQH-UHFFFAOYSA-N,,,,,,,,,,,
100.014.871,216-357-2,1563-86-6,N-acetyl-N-butylacetamide,N-acetyl-N-butylacetamide,CCCCN(C(=O)C)C(=O)C,CCCCN(C(=O)C)C(=O)C,"InChI=1/C8H15NO2/c1-4-5-6-9(7(2)10)8(3)11/h4-6H2,1-3H3",C8H15NO2,,,,,,FEOFWXBYTMJIBA-UHFFFAOYSA-N,,,,,,,,,,,
100.014.872,216-358-8,1563-90-2,"N,N-dibutylacetamide","N,N-dibutylacetamide",CCCCN(CCCC)C(=O)C,CCCCN(CCCC)C(=O)C,"InChI=1/C10H21NO/c1-4-6-8-11(10(3)12)9-7-5-2/h4-9H2,1-3H3",C10H21NO,,,,,,MEXKFCWMWJZDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.015.125,216-636-9,1632-16-2,2-ethylhex-1-ene,3-methyleneheptane,CCCCC(=C)CC,CCCCC(=C)CC,"InChI=1/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3",C8H16,,,,,,XTVRLCUJHGUXCP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.131,216-643-7,1633-05-2,Strontium carbonate,strontium carbonate,[Sr+2].[O-]C(=O)[O-],[Sr+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Sr/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Sr,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14362,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.131,LEDMRZGFZIAGGB-UHFFFAOYSA-L,,,,,,,,,,,
100.038.965,242-879-5,19206-95-2,N-(2-amino-2-oxoethyl)-3-oxobutyramide,N-(2-amino-2-oxoethyl)-3-oxobutanamide,CC(=O)CC(=O)NCC(=O)N,CC(=O)CC(=O)NCC(=O)N,"InChI=1/C6H10N2O3/c1-4(9)2-6(11)8-3-5(7)10/h2-3H2,1H3,(H2,7,10)(H,8,11)",C6H10N2O3,,,,,,RNRMBJKSBHBTFK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.974,242-888-4,19219-99-9,5-chloro-2-methylbenzoxazole,"5-chloro-2-methyl-1,3-benzoxazole",Cc1oc2ccc(Cl)cc2n1,Cc1oc2ccc(Cl)cc2n1,"InChI=1/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3",C8H6ClNO,,,,,,HJCIGAUHTJBHBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.979,242-894-7,19224-26-1,"Propane-1,2-diyl dibenzoate","propane-1,2-diyl dibenzoate",CC(COC(=O)c1ccccc1)OC(=O)c2ccccc2,CC(COC(=O)c1ccccc1)OC(=O)c2ccccc2,"InChI=1/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3",C17H16O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11756,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.979,UMVMVEZHMZTUHD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.985,242-900-8,19232-39-4,Sodium 2-ethoxycarbonyl-1-methylvinyl oxide,[1-(ethoxycarbonyl)-2-oxopropyl]sodium,CCOC(=O)C([Na])C(=O)C,CCOC(=O)C([Na])C(=O)C,"InChI=1/C6H9O3.Na/c1-3-9-6(8)4-5(2)7;/h4H,3H2,1-2H3;/rC6H9NaO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3",C6H9O3.Na,,,,,,FAIIZDNAUXAOGW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.986,242-901-3,19234-20-9,2-(1-methylethoxy)ethyl acetate,2-isopropoxyethyl acetate,CC(C)OCCOC(=O)C,CC(C)OCCOC(=O)C,"InChI=1/C7H14O3/c1-6(2)9-4-5-10-7(3)8/h6H,4-5H2,1-3H3",C7H14O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12420,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.986,HCDJVEYJSSTYSW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.987,242-902-9,19236-00-1,Neodymium tributanolate,neodymium tributan-1-olate,[Nd+3].CCCC[O-].CCCC[O-].CCCC[O-],[Nd+3].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/3C4H9O.Nd/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3",C4H10O.1/3Nd,,,,,,YPEWLXGESTWIDH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.988,242-903-4,19237-84-4,"1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)piperazine monohydrochloride","2-[4-(2-furoyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride",Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4,Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4,"InChI=1/C19H21N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H",C19H21N5O4.ClH,,,,,,WFXFYZULCQKPIP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.994,242-910-2,19245-23-9,Dimethyl cyanoimidodicarbonate,(cyanoimino)(methoxy)methyl methyl carbonate,N#CN=C(OC(=O)OC)OC,N#CN=C(OC(=O)OC)OC,InChI=1/C5H6N2O4/c1-9-4(7-3-6)11-5(8)10-2/h1-2H3,C5H6N2O4,,,,,,JQLATFLBZWFAAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.976,220-872-8,2922-61-4,Lithium pyruvate,lithium 2-oxopropanoate,[Li+].CC(=O)C(=O)[O-],[Li+].CC(=O)C(=O)[O-],"InChI=1/C3H4O3.Li/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1",C3H4O3.Li,,,,,,OFJHGWPRBMPXCX-UHFFFAOYSA-M,,,,,,,,,,,
100.018.980,220-877-5,2923-16-2,Potassium trifluoroacetate,potassium trifluoroacetate,[K+].[O-]C(=O)C(F)(F)F,[K+].[O-]C(=O)C(F)(F)F,"InChI=1/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HF3O2.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10429,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.980,CUNPJFGIODEJLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.984,220-881-7,2923-26-4,Sodium undecafluorohexanoate,sodium undecafluorohexanoate,[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6HF11O2.Na/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17;/h(H,18,19);/q;+1/p-1",C6HF11O2.Na,,,,,,UIMRWXUIVFZGSD-UHFFFAOYSA-M,,,,,,,,,,,
100.018.985,220-882-2,2923-28-6,Silver trifluoromethanesulphonate,silver(1+) trifluoromethanesulfonate,[Ag+].[O-]S(=O)(=O)C(F)(F)F,[Ag+].[O-]S(=O)(=O)C(F)(F)F,"InChI=1/CHF3O3S.Ag/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1",CHF3O3S.Ag,,,,,,QRUBYZBWAOOHSV-UHFFFAOYSA-M,,,,,,,,,,,
100.018.990,220-888-5,2924-25-6,1-(1-propenyl)-3-(trifluoromethyl)benzene,1-prop-1-en-1-yl-3-(trifluoromethyl)benzene,FC(F)(F)c1cccc(C=CC)c1,FC(F)(F)c1cccc(C=CC)c1,"InChI=1/C10H9F3/c1-2-4-8-5-3-6-9(7-8)10(11,12)13/h2-7H,1H3",C10H9F3,,,,,,OUZWHCIDWBRHFD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.993,220-891-1,2927-83-5,"2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propionyl fluoride","2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl fluoride",FC(=O)C(F)(OC(F)(F)F)C(F)(F)F,FC(=O)C(F)(OC(F)(F)F)C(F)(F)F,"InChI=1/C4F8O2/c5-1(13)2(6,3(7,8)9)14-4(10,11)12",C4F8O2,,,,,,GAKSVIQMUADMSK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.996,220-894-8,2929-85-3,"Dibutyl 2,6-di-tert-butyl-4-tolyl orthoborate","dibutyl 2,6-di-tert-butyl-4-methylphenyl borate",CCCCOB(OCCCC)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C,CCCCOB(OCCCC)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C,"InChI=1/C23H41BO3/c1-10-12-14-25-24(26-15-13-11-2)27-21-19(22(4,5)6)16-18(3)17-20(21)23(7,8)9/h16-17H,10-15H2,1-9H3",C23H41BO3,,,,,,HVQKGGXARPLXIR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.997,220-895-3,2929-86-4,Tridecyl phosphite,tris(decyl) phosphite,CCCCCCCCCCOP(OCCCCCCCCCC)OCCCCCCCCCC,CCCCCCCCCCOP(OCCCCCCCCCC)OCCCCCCCCCC,"InChI=1/C30H63O3P/c1-4-7-10-13-16-19-22-25-28-31-34(32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3",C30H63O3P,,,,,,QQBLOZGVRHAYGT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.984,218-682-5,2215-77-2,p-phenoxybenzoic acid,4-phenoxybenzoic acid,OC(=O)c1ccc(Oc2ccccc2)cc1,OC(=O)c1ccc(Oc2ccccc2)cc1,"InChI=1/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)",C13H10O3,,,,,,RYAQFHLUEMJOMF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.985,218-683-0,2215-89-6,"4,4'-oxydibenzoic acid","4,4'-oxydibenzoic acid",OC(=O)c1ccc(Oc2ccc(cc2)C(=O)O)cc1,OC(=O)c1ccc(Oc2ccc(cc2)C(=O)O)cc1,"InChI=1/C14H10O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)",C14H10O5,,,,,,WVDRSXGPQWNUBN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.995,218-694-0,2216-63-9,4-chloro-7-methylindan,4-chloro-7-methylindane,Cc1ccc(Cl)c2CCCc12,Cc1ccc(Cl)c2CCCc12,"InChI=1/C10H11Cl/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6H,2-4H2,1H3",C10H11Cl,,,,,,NTFHYNQQJUEULI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.996,218-695-6,2216-68-4,Methyl(1-naphthyl)amine,N-methylnaphthalen-1-amine,CNc1cccc2ccccc12,CNc1cccc2ccccc12,"InChI=1/C11H11N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3",C11H11N,,,,,,AKEYUWUEAXIBTF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.998,218-697-7,2216-77-5,Dibuprol,"1,3-dibutoxypropan-2-ol",CCCCOCC(O)COCCCC,CCCCOCC(O)COCCCC,"InChI=1/C11H24O3/c1-3-5-7-13-9-11(12)10-14-8-6-4-2/h11-12H,3-10H2,1-2H3",C11H24O3,,,,,,ABSDZQDZDHJMPX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.512,220-363-0,2739-12-0,N-methylanilinium chloride,N-methylanilinium chloride,[Cl-].C[NH2+]c1ccccc1,[Cl-].C[NH2+]c1ccccc1,"InChI=1/C7H9N.ClH/c1-8-7-5-3-2-4-6-7;/h2-6,8H,1H3;1H",C7H9N.ClH,,,,,,ZCXOSDRICFIHTA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.513,220-364-6,2739-97-1,Pyridine-2-acetonitrile,pyridin-2-ylacetonitrile,N#CCc1ccccn1,N#CCc1ccccn1,"InChI=1/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2",C7H6N2,,,,,,UKVQBONVSSLJBB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.522,220-374-0,2743-38-6,Dibenzoyl-L-tartaric acid monohydrate,"2,3-bis(benzoyloxy)succinic acid hydrate",O.O=C(O[C@H]([C@@H](OC(=O)c1ccccc1)C(O)=O)C(O)=O)c2ccccc2,O.O=C(O[C@H]([C@@H](OC(=O)c1ccccc1)C(O)=O)C(O)=O)c2ccccc2,"InChI=1/C18H14O8.H2O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;/h1-10,13-14H,(H,19,20)(H,21,22);1H2",C18H14O8,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12739,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.522,DXDIHODZARUBLA-DTPOWOMPSA-N,,,,,,,,,,,
100.018.524,220-376-1,2743-44-4,Butyl N-acetylglycinate,butyl N-acetylglycinate,CCCCOC(=O)CNC(=O)C,CCCCOC(=O)CNC(=O)C,"InChI=1/C8H15NO3/c1-3-4-5-12-8(11)6-9-7(2)10/h3-6H2,1-2H3,(H,9,10)",C8H15NO3,,,,,,IJJLPLVWJYWZKU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.511,246-778-7,25268-74-0,"2-ethyl-2-[(myristoyloxy)methyl]propane-1,3-diyl dimyristate","2,2-bis[(tetradecanoyloxy)methyl]butyl myristate (non-preferred name)",CCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,"InChI=1/C48H92O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-45(49)52-42-48(8-4,43-53-46(50)40-37-34-31-28-25-22-19-16-13-10-6-2)44-54-47(51)41-38-35-32-29-26-23-20-17-14-11-7-3/h5-44H2,1-4H3",C48H92O6,,,,,,OSBNQQXXUPNGNT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.519,246-787-6,25279-08-7,"(±)-2,6-dimethyloct-7-en-2-ol","2,6-dimethyloct-7-en-2-ol",CC(CCCC(C)(C)O)C=C,CC(CCCC(C)(C)O)C=C,"InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3",C10H20O,,,,,,XSNQECSCDATQEL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.520,246-788-1,25279-09-8,"2,6-dimethyloct-7-en-2-yl formate","1,1,5-trimethylhept-6-en-1-yl formate",CC(CCCC(C)(C)OC=O)C=C,CC(CCCC(C)(C)OC=O)C=C,"InChI=1/C11H20O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9-10H,1,6-8H2,2-4H3",C11H20O2,,,,,,ONXALCWZXZZQSG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.523,246-791-8,25291-17-2,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene","3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2",C8H3F13,,,,,,FYQFWFHDPNXORA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.527,246-796-5,25296-54-2,"N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine","2,2',2'',2'''-{(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-3,1-phenylene)methylenenitrilo]}tetraacetic acid",OC(=O)CN(CC(=O)O)Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(CN(CC(=O)O)CC(=O)O)c4,OC(=O)CN(CC(=O)O)Cc1cc(ccc1O)C2(OC(=O)c3ccccc23)c4ccc(O)c(CN(CC(=O)O)CC(=O)O)c4,"InChI=1/C30H28N2O12/c33-23-7-5-19(9-17(23)11-31(13-25(35)36)14-26(37)38)30(22-4-2-1-3-21(22)29(43)44-30)20-6-8-24(34)18(10-20)12-32(15-27(39)40)16-28(41)42/h1-10,33-34H,11-16H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)",C30H28N2O12,,,,,,QHKMTHBQSIKVAC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.528,246-797-0,25296-66-6,Isobutyl methylphosphinate,isobutyl methylphosphinate,CC(C)COP(=O)C,CC(C)COP(=O)C,"InChI=1/C5H13O2P/c1-5(2)4-7-8(3)6/h5,8H,4H2,1-3H3",C5H13O2P,,,,,,DDOAOFQKHIPFFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.531,246-800-5,25305-85-5,"Hydrogen [4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium","hydrogen 3-({[4-({4-[(4-ethoxyphenyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate",[H+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c2ccc(cc2)/C(c4ccc(Nc3ccc(OCC)cc3)cc4)=C\\5/C=C\\C(/C=C/5)=[N+](Cc6cccc(c6)S([O-])(=O)=O)CC,[H+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c2ccc(cc2)/C(c4ccc(Nc3ccc(OCC)cc3)cc4)=C\5/C=C\C(/C=C/5)=[N+](Cc6cccc(c6)S([O-])(=O)=O)CC,"InChI=1/C45H45N3O7S2.H2/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);1H/q;+1/p-1",C45H45N3O7S2,,,,,,PLVPREXUKUFADG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.534,246-803-1,25305-96-8,"Diethyl[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2,4-disulphophenyl]methylene]-2,5-cyclohexadien-1-ylidene]ammonium hydroxide","N-[4-([4-(diethylamino)phenyl]{5-[(2,4-dinitrophenyl)amino]-2,4-disulfophenyl}methylene)cyclohexa-2,5-dien-1-ylidene]-N-ethylethanaminium hydroxide",[OH-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c(cc3S(=O)(=O)O)S(=O)(=O)O,[OH-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c(cc3S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C33H35N5O10S2.H2O/c1-5-35(6-2)24-13-9-22(10-14-24)33(23-11-15-25(16-12-23)36(7-3)8-4)27-20-29(32(50(46,47)48)21-31(27)49(43,44)45)34-28-18-17-26(37(39)40)19-30(28)38(41)42;/h9-21,34H,5-8H2,1-4H3,(H-,43,44,45,46,47,48);1H2",C33H35N5O10S2,,,,,,BIXPYPOIHGNIPR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.537,246-806-8,25306-99-4,Dimethyl (methoxymethyl)succinate,dimethyl 2-(methoxymethyl)succinate,COCC(CC(=O)OC)C(=O)OC,COCC(CC(=O)OC)C(=O)OC,"InChI=1/C8H14O5/c1-11-5-6(8(10)13-3)4-7(9)12-2/h6H,4-5H2,1-3H3",C8H14O5,,,,,,HYPQWVMAJDZMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.538,246-807-3,25307-17-9,"2,2'-(octadec-9-enylimino)bisethanol","2,2'-(octadec-9-en-1-ylimino)diethanol",OCCN(CCCCCCCCC=CCCCCCCCC)CCO,OCCN(CCCCCCCCC=CCCCCCCCC)CCO,"InChI=1/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3",C22H45NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14853,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.538,BITAPBDLHJQAID-UHFFFAOYSA-N,,,,,,,,,,,
100.042.546,246-816-2,25312-65-6,Cholan-24-oic acid,cholan-24-oic acid,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)",C24H40O2,,,,,,RPKLZQLYODPWTM-KBMWBBLPSA-N,,,,,,,,,,,
100.042.547,246-817-8,25316-27-2,"2,3-dihydrophthalazine-1,4-dione dihydrazone hydrochloride","1,4-bis(hydrazono)-1,2,3,4-tetrahydrophthalazine hydrochloride",Cl.NN=C1NNC(=NN)c2ccccc12,Cl.NN=C1NNC(=NN)c2ccccc12,"InChI=1/C8H10N6.ClH/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;/h1-4H,9-10H2,(H,11,13)(H,12,14);1H",C8H10N6.xClH,,,,,,IKVCCOSAYBITFB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.524,222-575-9,3536-96-7,Chlorovinylmagnesium,chloro(vinyl)magnesium,Cl[Mg]C=C,Cl[Mg]C=C,"InChI=1/C2H3.ClH.Mg/c1-2;;/h1H,2H2;1H;/q;;+1/p-1/rC2H3ClMg/c1-2-4-3/h2H,1H2",C2H3ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11168,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.524,NAFZXKWEUWVSAW-UHFFFAOYSA-M,,,,,,,,,,,
100.020.527,222-579-0,3538-65-6,Butyrohydrazide,butanehydrazide,CCCC(=O)NN,CCCC(=O)NN,"InChI=1/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)",C4H10N2O,,,,,,FCCCRBDJBTVFSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.534,222-586-9,3544-24-9,m-aminobenzamide,3-aminobenzamide,NC(=O)c1cccc(N)c1,NC(=O)c1cccc(N)c1,"InChI=1/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)",C7H8N2O,,,,,,GSCPDZHWVNUUFI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.537,222-590-0,3544-94-3,"[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hydrogen [R-(R*,R*)]-succinate",4-{2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy}-4-oxobutanoic acid,OC(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)N(=O)=O,OC(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)N(=O)=O,"InChI=1/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)",C15H16Cl2N2O8,,,,,,LIRCDOVJWUGTMW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.538,222-591-6,3545-59-3,"11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-(3-cyclopentylpropionate)","11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-cyclopentylpropanoate",C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC4CCCC4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]5(C)C=CC(=O)C=C15,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC4CCCC4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]5(C)C=CC(=O)C=C15,"InChI=1/C30H42O6/c1-18-14-21-22-11-13-30(35,25(33)17-36-26(34)9-8-19-6-4-5-7-19)29(22,3)16-24(32)27(21)28(2)12-10-20(31)15-23(18)28/h10,12,15,18-19,21-22,24,27,32,35H,4-9,11,13-14,16-17H2,1-3H3",C30H42O6,,,,,,SVZRBMJEINPFCK-HVBFQCNSSA-N,,,,,,,,,,,
100.020.543,222-596-3,3546-41-6,Pyrvinium embonate,"bis{6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium} 4,4'-methylenebis(3-hydroxy-2-naphthoate)",[O-]C(=O)c4cc1ccccc1c(Cc2c3ccccc3cc(C([O-])=O)c2O)c4O.CN(C)c1ccc2[n+](C)c(ccc2c1)C=Cc4cc(C)n(c3ccccc3)c4C.CN(C)c1ccc2[n+](C)c(ccc2c1)C=Cc4cc(C)n(c3ccccc3)c4C,[O-]C(=O)c4cc1ccccc1c(Cc2c3ccccc3cc(C([O-])=O)c2O)c4O.CN(C)c1ccc2[n+](C)c(ccc2c1)C=Cc4cc(C)n(c3ccccc3)c4C.CN(C)c1ccc2[n+](C)c(ccc2c1)C=Cc4cc(C)n(c3ccccc3)c4C,"InChI=1/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2",C26H28N3.1/2C23H14O6,,,,,,OOPDAHSJBRZRPH-UHFFFAOYSA-L,,,,,,,,,,,
100.020.544,222-597-9,3546-96-1,Sodium N-dodecyl-ß-alaninate,sodium 3-(dodecylamino)propanoate,[Na+].CCCCCCCCCCCCNCCC(=O)[O-],[Na+].CCCCCCCCCCCCNCCC(=O)[O-],"InChI=1/C15H31NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);/q;+1/p-1",C15H31NO2.Na,,,,,,HWCHICTXVOMIIF-UHFFFAOYSA-M,,,,,,,,,,,
100.018.539,220-392-9,9/09/2751,Troleandomycin,"12-[(4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-{[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadec-6-yl acetate",CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C,CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C,"InChI=1/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3",C41H67NO15,,,,,,LQCLVBQBTUVCEQ-MCQAQMIOSA-N,,,,,,,,,,,
100.018.547,220-401-6,2753-74-4,"5-ethyldihydro-5-phenyl-2-thioxopyrimidine-4,6(1H,5H)-dione","5-ethyl-5-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCC1(C(=O)NC(=S)NC1=O)c2ccccc2,CCC1(C(=O)NC(=S)NC1=O)c2ccccc2,"InChI=1/C12H12N2O2S/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",C12H12N2O2S,,,,,,GHHFRPRCYQNNDL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.549,220-403-7,2754-17-8,"Bis(2,3-epoxypropyl) adipate",bis(oxiran-2-ylmethyl) adipate,O=C(CCCCC(=O)OCC1CO1)OCC2CO2,O=C(CCCCC(=O)OCC1CO1)OCC2CO2,"InChI=1/C12H18O6/c13-11(17-7-9-5-15-9)3-1-2-4-12(14)18-8-10-6-16-10/h9-10H,1-8H2",C12H18O6,,,,,,KBWLNCUTNDKMPN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.551,220-405-8,2754-32-7,p-phenylenebis[dimethylsilanol],"1,4-phenylenebis(dimethylsilanol)",C[Si](C)(O)c1ccc(cc1)[Si](C)(C)O,C[Si](C)(O)c1ccc(cc1)[Si](C)(C)O,"InChI=1/C10H18O2Si2/c1-13(2,11)9-5-7-10(8-6-9)14(3,4)12/h5-8,11-12H,1-4H3",C10H18O2Si2,,,,,,YBNBOGKRCOCJHH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.552,220-406-3,2754-40-7,"Hexahydro-4,8-ethano-1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone","hexahydro-1H,3H-4,8-ethanobenzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone",O=C1OC(=O)C2C3CCC(C4C3C(=O)OC4=O)C12,O=C1OC(=O)C2C3CCC(C4C3C(=O)OC4=O)C12,"InChI=1/C12H10O6/c13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16/h3-8H,1-2H2",C12H10O6,,,,,,SUMLPYDNRMNBMB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.999,242-916-5,19248-94-3,(E)-2-methyl-2-butenyl acetate,2-methylbut-2-en-1-yl acetate,C\\C=C(/C)\\COC(=O)C,C\C=C(/C)\COC(=O)C,"InChI=1/C7H12O2/c1-4-6(2)5-9-7(3)8/h4H,5H2,1-3H3",C7H12O2,,,,,,LYFIKZOWBKYNSE-GQCTYLIASA-N,,,,,,,,,,,
100.039.125,243-054-2,19432-68-9,Methyl thiophen-2-acetate,methyl 2-thienylacetate,COC(=O)Cc1cccs1,COC(=O)Cc1cccs1,"InChI=1/C7H8O2S/c1-9-7(8)5-6-3-2-4-10-6/h2-4H,5H2,1H3",C7H8O2S,,,,,,KNKIXYMOHMYZJR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.126,243-055-8,19432-88-3,Pyrrolidine-2-ethanol,2-pyrrolidin-2-ylethanol,OCCC1CCCN1,OCCC1CCCN1,"InChI=1/C6H13NO/c8-5-3-6-2-1-4-7-6/h6-8H,1-5H2",C6H13NO,,,,,,JZXVADSBLRIAIB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.129,243-058-4,19433-93-3,N-[3-(diethylamino)-4-methoxyphenyl]acetamide,N-[3-(diethylamino)-4-methoxyphenyl]acetamide,CCN(CC)c1cc(NC(=O)C)ccc1OC,CCN(CC)c1cc(NC(=O)C)ccc1OC,"InChI=1/C13H20N2O2/c1-5-15(6-2)12-9-11(14-10(3)16)7-8-13(12)17-4/h7-9H,5-6H2,1-4H3,(H,14,16)",C13H20N2O2,,,,,,BTJCIVXKBILNPY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.132,243-062-6,19434-64-1,1-chlorohexahydro-2H-azepin-2-one,1-chloroazepan-2-one,ClN1CCCCCC1=O,ClN1CCCCCC1=O,InChI=1/C6H10ClNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2,C6H10ClNO,,,,,,FCWAYYDINOPRFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.133,243-063-1,19434-79-8,Hexyl 3-[(3-pentyloxiranyl)methyl]oxiran-2-octanoate,"1,2:4,5-dianhydro-3-deoxy-1-[8-(hexyloxy)-8-oxooctyl]-5-pentylpentitol",CCCCCCOC(=O)CCCCCCCC1OC1CC2OC2CCCCC,CCCCCCOC(=O)CCCCCCCC1OC1CC2OC2CCCCC,"InChI=1/C24H44O4/c1-3-5-7-14-18-26-24(25)17-13-10-8-9-12-16-21-23(28-21)19-22-20(27-22)15-11-6-4-2/h20-23H,3-19H2,1-2H3",C24H44O4,,,,,,DIRXYQPNUXCLAX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.134,243-064-7,19435-68-8,"N,N'-diethylbutane-1,4-diamine","N,N'-diethylbutane-1,4-diamine",CCNCCCCNCC,CCNCCCCNCC,"InChI=1/C8H20N2/c1-3-9-7-5-6-8-10-4-2/h9-10H,3-8H2,1-2H3",C8H20N2,,,,,,WHDUKLPCKZTPFY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.136,243-066-8,19436-52-3,N-acetyl-D-alanine,N-acetyl-D-alanine,C[C@@H](NC(=O)C)C(=O)O,C[C@@H](NC(=O)C)C(=O)O,"InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)",C5H9NO3,,,,,,KTHDTJVBEPMMGL-GSVOUGTGSA-N,,,,,,,,,,,
100.039.137,243-067-3,19437-26-4,Bis(2-pyridyl) ketone,dipyridin-2-ylmethanone,O=C(c1ccccn1)c2ccccn2,O=C(c1ccccn1)c2ccccn2,InChI=1/C11H8N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8H,C11H8N2O,,,,,,QPOWUYJWCJRLEE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.983,247-297-5,25853-47-8,"1,1'-isosebacoylbis(2-ethylaziridine)","1,1'-(1,10-dioxodecane-1,10-diyl)bis(2-ethylaziridine)",CCC1CN1C(=O)CCCCCCCCC(=O)N2CC2CC,CCC1CN1C(=O)CCCCCCCCC(=O)N2CC2CC,"InChI=1/C18H32N2O2/c1-3-15-13-19(15)17(21)11-9-7-5-6-8-10-12-18(22)20-14-16(20)4-2/h15-16H,3-14H2,1-2H3",C18H32N2O2,,,,,,AHHONKNNDPIASR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.984,247-298-0,25853-56-9,Oxybisbutanol,"1,1'-oxydibutan-1-ol",CCCC(O)OC(O)CCC,CCCC(O)OC(O)CCC,"InChI=1/C8H18O3/c1-3-5-7(9)11-8(10)6-4-2/h7-10H,3-6H2,1-2H3",C8H18O3,,,,,,OXBPUQRCWRHUEM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.987,247-302-0,25857-20-9,Sodium [bis(2-hydroxyethyl)amino]methanesulphonate,sodium [bis(2-hydroxyethyl)amino]methanesulfonate,[Na+].OCCN(CCO)CS(=O)(=O)[O-],[Na+].OCCN(CCO)CS(=O)(=O)[O-],"InChI=1/C5H13NO5S.Na/c7-3-1-6(2-4-8)5-12(9,10)11;/h7-8H,1-5H2,(H,9,10,11);/q;+1/p-1",C5H13NO5S.Na,,,,,,AKPBRLRJVQJTQN-UHFFFAOYSA-M,,,,,,,,,,,
100.042.988,247-303-6,25859-29-4,"Decanoic acid, compound with 2-aminoethanol (1:1)",decanoic acid - 2-aminoethanol (1:1),CCCCCCCCCC(=O)O.NCCO,CCCCCCCCCC(=O)O.NCCO,"InChI=1/C10H20O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10(11)12;3-1-2-4/h2-9H2,1H3,(H,11,12);4H,1-3H2",C10H20O2.C2H7NO,,,,,,VRUZHFPWMNICEL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.991,247-306-2,25870-62-6,1-phenylhexan-2-one,1-phenylhexan-2-one,CCCCC(=O)Cc1ccccc1,CCCCC(=O)Cc1ccccc1,"InChI=1/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",C12H16O,,,,,,DYQAZJQDLPPHNB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.994,247-309-9,25877-30-9,"N,N-diethylpyridine-2-ethylamine","N,N-diethyl-2-pyridin-2-ylethanamine",CCN(CC)CCc1ccccn1,CCN(CC)CCc1ccccn1,"InChI=1/C11H18N2/c1-3-13(4-2)10-8-11-7-5-6-9-12-11/h5-7,9H,3-4,8,10H2,1-2H3",C11H18N2,,,,,,PMDWLPBLYZHLHW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.998,247-314-6,25887-81-4,Bis(p-nitrophenyl) sulphite,bis(4-nitrophenyl) sulfite,[O-][N+](=O)c1ccc(OS(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(OS(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1,InChI=1/C12H8N2O7S/c15-13(16)9-1-5-11(6-2-9)20-22(19)21-12-7-3-10(4-8-12)14(17)18/h1-8H,C12H8N2O7S,,,,,,GRDMQWRBLJZFML-UHFFFAOYSA-N,,,,,,,,,,,
100.042.999,247-315-1,25889-38-7,4-chloro-2-nitro-1-(trifluoromethyl)benzene,4-chloro-2-nitro-1-(trifluoromethyl)benzene,[O-][N+](=O)c1cc(Cl)ccc1C(F)(F)F,[O-][N+](=O)c1cc(Cl)ccc1C(F)(F)F,"InChI=1/C7H3ClF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H",C7H3ClF3NO2,,,,,,DDNRGAUZMIFKQS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.526,220-378-2,2744-49-2,"4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulphonamide","4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide",NS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,NS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C15H14ClN3O2S/c16-12-3-1-11(2-4-12)15-9-10-19(18-15)13-5-7-14(8-6-13)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)",C15H14ClN3O2S,,,,,,VZTHUHAJEZPWNC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.533,220-386-6,9/05/2747,7-(acetyloxy)-4-methyl-2-benzopyrone,4-methyl-2-oxo-2H-chromen-7-yl acetate,CC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3",C12H10O4,,,,,,HXVZGASCDAGAPS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.905,224-095-5,1/09/4199,(S)-1-(isopropylamino)-3-(naphthyloxy)propan-2-ol,1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol,CC(C)NC[C@H](O)COc1cccc2ccccc12,CC(C)NC[C@H](O)COc1cccc2ccccc12,"InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",C16H21NO2,,,,,,AQHHHDLHHXJYJD-AWEZNQCLSA-N,,,,,,,,,,,
100.021.913,224-103-7,4200-95-7,Heptadecylamine,heptadecan-1-amine,CCCCCCCCCCCCCCCCCN,CCCCCCCCCCCCCCCCCN,"InChI=1/C17H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-18H2,1H3",C17H37N,,,,,,KAJZYANLDWUIES-UHFFFAOYSA-N,,,,,,,,,,,
100.021.915,224-105-8,4201-23-4,2-(2-chloro-p-toluidino)-2-imidazoline nitrate,"N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine nitrate",Cc1ccc(NC2=NCCN2)c(Cl)c1.O[N+](=O)[O-],Cc1ccc(NC2=NCCN2)c(Cl)c1.O[N+](=O)[O-],"InChI=1/C10H12ClN3.HNO3/c1-7-2-3-9(8(11)6-7)14-10-12-4-5-13-10;2-1(3)4/h2-3,6H,4-5H2,1H3,(H2,12,13,14);(H,2,3,4)",C10H12ClN3.xHNO3,,,,,,SEIGDXGATKHXKR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.916,224-106-3,4201-78-9,"(2-hydroxyethyl)trimethylammonium (5ß)-3,7,12-trioxocholan-24-oate","2-hydroxy-N,N,N-trimethylethanaminium 3,7,12-trioxocholan-24-oate",C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O.C[N+](C)(C)CCO,C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O.C[N+](C)(C)CCO,"InChI=1/C24H34O5.C5H14NO/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-6(2,3)4-5-7/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);7H,4-5H2,1-3H3/q;+1/p-1",C24H33O5.C5H14NO,,,,,,GJENXZXAFXDOTP-CAOXKPNISA-M,,,,,,,,,,,
100.021.922,224-113-1,4202-98-6,"6-chloro-9ß,10a-pregna-4,6-diene-3,20-dione","6-chloropregna-4,6-diene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,"InChI=1/C21H27ClO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10-11,14-17H,4-9H2,1-3H3",C21H27ClO2,,,,,,HSPLPABFDZTFJB-OAYGGAORSA-N,,,,,,,,,,,
100.021.926,224-117-3,4204-60-8,"Dimethyl 4,4'-[1,2-ethanediylbis(oxy)]bisbenzoate","dimethyl 4,4'-[ethane-1,2-diylbis(oxy)]dibenzoate",COC(=O)c1ccc(OCCOc2ccc(cc2)C(=O)OC)cc1,COC(=O)c1ccc(OCCOc2ccc(cc2)C(=O)OC)cc1,"InChI=1/C18H18O6/c1-21-17(19)13-3-7-15(8-4-13)23-11-12-24-16-9-5-14(6-10-16)18(20)22-2/h3-10H,11-12H2,1-2H3",C18H18O6,,,,,,BBCJQHYOGQEOAA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.928,224-119-4,4205-90-7,Clonidine,"2,6-dichloro-N-imidazolidin-2-ylideneaniline",Clc1cccc(Cl)c1N=C2NCCN2,Clc1cccc(Cl)c1N=C2NCCN2,"InChI=1/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)",C9H9Cl2N3,,,,,,GJSURZIOUXUGAL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.940,224-133-0,4208-97-3,"5,6-dichloro-1,2-dihydroacenaphthylene","5,6-dichloro-1,2-dihydroacenaphthylene",Clc1ccc2CCc3ccc(Cl)c1c23,Clc1ccc2CCc3ccc(Cl)c1c23,"InChI=1/C12H8Cl2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h3-6H,1-2H2",C12H8Cl2,,,,,,QQTNONSQLWTQPU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.943,224-136-7,4209-91-0,"3,5-dimethylhexan-3-ol","3,5-dimethylhexan-3-ol",CCC(C)(O)CC(C)C,CCC(C)(O)CC(C)C,"InChI=1/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3",C8H18O,,,,,,INMGJWCKWKKMPN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.950,224-144-0,4214-75-9,3-nitropyridin-2-ylamine,3-nitropyridin-2-amine,Nc1ncccc1[N+](=O)[O-],Nc1ncccc1[N+](=O)[O-],"InChI=1/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7)",C5H5N3O2,,,,,,BPYHGTCRXDWOIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.993,221-991-8,3307-39-9,2-(4-chlorophenoxy)propionic acid,2-(4-chlorophenoxy)propanoic acid,CC(Oc1ccc(Cl)cc1)C(=O)O,CC(Oc1ccc(Cl)cc1)C(=O)O,"InChI=1/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)",C9H9ClO3,,,,,,DKHJWWRYTONYHB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.751,223-925-3,4124-31-6,Trichloroacetic anhydride,trichloroacetic anhydride,ClC(Cl)(Cl)C(=O)OC(=O)C(Cl)(Cl)Cl,ClC(Cl)(Cl)C(=O)OC(=O)C(Cl)(Cl)Cl,"InChI=1/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10",C4Cl6O3,,,,,,MEFKFJOEVLUFAY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.761,223-936-3,4126-81-2,Dichloro(phenyl)methylium hexachloroantimonate,dichloro(phenyl)methylium hexachloroantimonate(1-),Cl[C+](Cl)c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,Cl[C+](Cl)c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/C7H6Cl2.6ClH.Sb/c8-7(9)6-4-2-1-3-5-6;;;;;;;/h1-5,7H;6*1H;/q+1;;;;;;;+5/p-6/rC7H6Cl2.Cl6Sb/c8-7(9)6-4-2-1-3-5-6;1-7(2,3,4,5)6/h1-5,7H;/q+1;-1",C7H5Cl2.Cl6Sb,,,,,,JAXXJDVDWVHVCP-UHFFFAOYSA-H,,,,,,,,,,,
100.021.762,223-937-9,4127-47-3,"1,1,2,2-tetramethylcyclopropane","1,1,2,2-tetramethylcyclopropane",CC1(C)CC1(C)C,CC1(C)CC1(C)C,"InChI=1/C7H14/c1-6(2)5-7(6,3)4/h5H2,1-4H3",C7H14,,,,,,JCHUCGKEGUAHEH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.549,246-819-9,25316-59-0,Benzyltributylammonium bromide,"N-benzyl-N,N-dibutylbutan-1-aminium bromide",[Br-].CCCC[N+](CCCC)(CCCC)Cc1ccccc1,[Br-].CCCC[N+](CCCC)(CCCC)Cc1ccccc1,"InChI=1/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1",C19H34N.Br,,,,,,UDYGXWPMSJPFDG-UHFFFAOYSA-M,,,,,,,,,,,
100.042.550,246-820-4,25317-07-1,6-amino-4-hydroxy-5-[[2-(phenylsulphonyl)phenyl]azo]naphthalene-2-sulphonic acid,6-amino-4-hydroxy-5-{[2-(phenylsulfonyl)phenyl]diazenyl}naphthalene-2-sulfonic acid,O=S(=O)(c1ccccc1)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O,O=S(=O)(c1ccccc1)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O,"InChI=1/C22H17N3O6S2/c23-17-11-10-14-12-16(33(29,30)31)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)32(27,28)15-6-2-1-3-7-15/h1-13,26H,23H2,(H,29,30,31)",C22H17N3O6S2,,,,,,MAUHYLITSXECQK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.131,249-659-8,29473-30-1,Triphenylphosphonium cyclopentadienylide,"cyclopenta-2,4-dien-1-ylidene(triphenyl)phosphorane",C1=CC(=P(c2ccccc2)(c3ccccc3)c4ccccc4)C=C1,C1=CC(=P(c2ccccc2)(c3ccccc3)c4ccccc4)C=C1,"InChI=1/C23H19P/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H",C23H19P,,,,,,MXGWLWRROFTJDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.133,249-661-9,29474-12-2,Cimepanol,1-cyclohexyl-2-methylpropan-1-ol,CC(C)C(O)C1CCCCC1,CC(C)C(O)C1CCCCC1,"InChI=1/C10H20O/c1-8(2)10(11)9-6-4-3-5-7-9/h8-11H,3-7H2,1-2H3",C10H20O,,,,,,DZNUOUOIPRQTTB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.147,249-677-6,29513-72-2,1-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]propan-2-ol,1-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}propan-2-ol,CC(O)CNCCNCCNCCN,CC(O)CNCCNCCNCCN,"InChI=1/C9H24N4O/c1-9(14)8-13-7-6-12-5-4-11-3-2-10/h9,11-14H,2-8,10H2,1H3",C9H24N4O,,,,,,GKCQLFULQJJWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.152,249-682-3,29529-99-5,"6-(dibutylamino)-1,3,5-triazine-2,4(1H,3H)-dithione","6-(dibutylamino)-1,3,5-triazine-2,4(1H,3H)-dithione",CCCCN(CCCC)C1=NC(=S)NC(=S)N1,CCCCN(CCCC)C1=NC(=S)NC(=S)N1,"InChI=1/C11H20N4S2/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9/h3-8H2,1-2H3,(H2,12,13,14,16,17)",C11H20N4S2,,,,,,IXDGHAZCSMVIFX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.154,249-684-4,29533-21-9,2-(chlorophenoxy)ethanol,2-(2-chlorophenoxy)ethanol,OCCOc1ccccc1Cl,OCCOc1ccccc1Cl,"InChI=1/C8H9ClO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2",C8H9ClO2,,,,,,FDQGMCQSIVZGHW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.157,249-688-6,29548-14-9,"a,4-dimethylcyclohex-3-ene-1-acetaldehyde",2-(4-methylcyclohex-3-en-1-yl)propanal,CC(C=O)C1CCC(=CC1)C,CC(C=O)C1CCC(=CC1)C,"InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3",C10H16O,,,,,,UMEJBWOWZDRULR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.165,249-697-5,29561-04-4,Dipotassium sodium pyrophosphorate,-,[Na+].[K+].[K+].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Na+].[K+].[K+].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/2K.Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-4",H4O7P2.2K.Na,,,,,,NPVRQFSVAKOSQN-UHFFFAOYSA-J,,,,,,,,,,,
100.045.170,249-703-6,29587-92-6,cis-11-oxabicyclo[8.1.0]undecane,11-oxabicyclo[8.1.0]undecane,C1CCCC[C@H]2O[C@H]2CCC1,C1CCCC[C@H]2O[C@H]2CCC1,"InChI=1/C10H18O/c1-2-4-6-8-10-9(11-10)7-5-3-1/h9-10H,1-8H2",C10H18O,,,,,,AFCZSFUPWLSMSZ-AOOOYVTPSA-N,,,,,,,,,,,
100.045.174,249-707-8,29590-42-9,Isooctyl acrylate,6-methylheptyl acrylate,CC(C)CCCCCOC(=O)C=C,CC(C)CCCCCOC(=O)C=C,"InChI=1/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3",C11H20O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2087,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.174,DXPPIEDUBFUSEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.225,246-463-4,24794-58-9,"Formic acid, compound with 2,2',2''-nitrilotris[ethanol] (1:1)","formic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC=O,OCCN(CCO)CCO.OC=O,"InChI=1/C6H15NO3.CH2O2/c8-4-1-7(2-5-9)3-6-10;2-1-3/h8-10H,1-6H2;1H,(H,2,3)",C6H15NO3.CH2O2,,,,,,GTFYTIZAGLSUNG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.227,246-466-0,24800-44-0,[(methylethylene)bis(oxy)]dipropanol,"1,1'-[propane-1,2-diylbis(oxy)]dipropan-1-ol",CCC(O)OCC(C)OC(O)CC,CCC(O)OCC(C)OC(O)CC,"InChI=1/C9H20O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7-11H,4-6H2,1-3H3",C9H20O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14788,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.227,SNAJJYBUNRAGEF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.553,220-407-9,4/10/2755,"9ß,10a-pregn-4-ene-3,20-dione","pregn-4-ene-3,20-dione",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,"InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3",C21H30O2,,,,,,RJKFOVLPORLFTN-HQZYFCCVSA-N,,,,,,,,,,,
100.018.560,220-415-2,2757-23-5,(chlorothio)formyl chloride,chloro(chlorosulfanyl)oxomethane,ClSC(=O)Cl,ClSC(=O)Cl,InChI=1/CCl2OS/c2-1(4)5-3,CCl2OS,,,,,,MNOALXGAYUJNKX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.565,220-421-5,2758-18-1,3-methylcyclopent-2-enone,3-methylcyclopent-2-en-1-one,CC1=CC(=O)CC1,CC1=CC(=O)CC1,"InChI=1/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3",C6H8O,,,,,,CHCCBPDEADMNCI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.573,220-429-9,2761-24-2,Triethoxypentylsilane,triethoxy(pentyl)silane,CCCCC[Si](OCC)(OCC)OCC,CCCCC[Si](OCC)(OCC)OCC,"InChI=1/C11H26O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h5-11H2,1-4H3",C11H26O3Si,,,,,,FHVAUDREWWXPRW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.575,220-432-5,2764-13-8,(2-hydroxyethyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium nitrate,"N-(2-hydroxyethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium nitrate",CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.[O-][N+](=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.[O-][N+](=O)[O-],"InChI=1/C25H52N2O2.NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;2-1(3)4/h28H,4-24H2,1-3H3;/q;-1/p+1",C25H53N2O2.NO3,,,,,,HNWNELAGDBSCDG-UHFFFAOYSA-O,,,,,,,,,,,
100.018.579,220-436-7,2765-18-6,1-propylnaphthalene,1-propylnaphthalene,CCCc1cccc2ccccc12,CCCc1cccc2ccccc12,"InChI=1/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3",C13H14,,,,,,HMAMGXMFMCAOPV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.580,220-437-2,2765-29-9,"trans,cis,cis-cyclododeca-1,5,9-triene","cyclododeca-1,5,9-triene",C1C\\C=C\\CC\\C=C\\CC\\C=C/1,C1C\C=C\CC\C=C\CC\C=C/1,"InChI=1/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2",C12H18,,,,,,ZOLLIQAKMYWTBR-RYMQXAEESA-N,,,,,,,,,,,
100.021.954,224-148-2,4215-95-6,"2,7,9-trimethylacridine-3,6-diamine monohydrochloride","2,7,9-trimethylacridine-3,6-diamine hydrochloride",Cl.Cc1cc2c(C)c3cc(C)c(N)cc3nc2cc1N,Cl.Cc1cc2c(C)c3cc(C)c(N)cc3nc2cc1N,"InChI=1/C16H17N3.ClH/c1-8-4-11-10(3)12-5-9(2)14(18)7-16(12)19-15(11)6-13(8)17;/h4-7H,17-18H2,1-3H3;1H",C16H17N3.ClH,,,,,,NOFPXGWBWIPSHI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.959,224-154-5,4217-66-7,"DL-2-phenylpropane-1,2-diol","2-phenylpropane-1,2-diol",CC(O)(CO)c1ccccc1,CC(O)(CO)c1ccccc1,"InChI=1/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3",C9H12O2,,,,,,LNCZPZFNQQFXPT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.961,224-156-6,4218-87-5,"1,2-bis(allyloxy)benzene","1,2-bis(allyloxy)benzene",C=CCOc1ccccc1OCC=C,C=CCOc1ccccc1OCC=C,"InChI=1/C12H14O2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h3-8H,1-2,9-10H2",C12H14O2,,,,,,GZWLFCGQNCRLIN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.963,224-158-7,4219-46-9,2-hydroxyethyl butyrate,2-hydroxyethyl butyrate,CCCC(=O)OCCO,CCCC(=O)OCCO,"InChI=1/C6H12O3/c1-2-3-6(8)9-5-4-7/h7H,2-5H2,1H3",C6H12O3,,,,,,GIOCILWWMFZESP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.964,224-159-2,4219-48-1,2-hydroxyethyl laurate,2-hydroxyethyl laurate,CCCCCCCCCCCC(=O)OCCO,CCCCCCCCCCCC(=O)OCCO,"InChI=1/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15/h15H,2-13H2,1H3",C14H28O3,,,,,,CTXGTHVAWRBISV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.965,224-160-8,4219-49-2,2-hydroxyethyl palmitate,2-hydroxyethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCO,CCCCCCCCCCCCCCCC(=O)OCCO,"InChI=1/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h19H,2-17H2,1H3",C18H36O3,,,,,,BXCRLBBIZJSWNS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.966,224-161-3,4220-08-0,4-phenylpiperidine-4-methanol,(4-phenylpiperidin-4-yl)methanol,OCC1(CCNCC1)c2ccccc2,OCC1(CCNCC1)c2ccccc2,"InChI=1/C12H17NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h1-5,13-14H,6-10H2",C12H17NO,,,,,,YXDQCHJILIFZBY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.973,224-169-7,4/03/4223,"N-(1,1,3,3-tetramethylbutyl)acrylamide","N-(1,1,3,3-tetramethylbutyl)acrylamide",CC(C)(C)CC(C)(C)NC(=O)C=C,CC(C)(C)CC(C)(C)NC(=O)C=C,"InChI=1/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)",C11H21NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15631,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.973,YRDNVESFWXDNSI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.986,224-183-3,4230-91-5,"Benzothiazol-2-yl 2,4-dinitrophenyl sulphide","2-[(2,4-dinitrophenyl)sulfanyl]-1,3-benzothiazole",[O-][N+](=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+](=O)[O-],InChI=1/C13H7N3O4S2/c17-15(18)8-5-6-12(10(7-8)16(19)20)22-13-14-9-3-1-2-4-11(9)21-13/h1-7H,C13H7N3O4S2,,,,,,RCPUUVXIUIWMEE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.989,224-187-5,4231-68-9,"1,2-dihydro-1-phenyl-3H-1,2,4-triazol-3-one","1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one",O=C1NN(C=N1)c2ccccc2,O=C1NN(C=N1)c2ccccc2,"InChI=1/C8H7N3O/c12-8-9-6-11(10-8)7-4-2-1-3-5-7/h1-6H,(H,10,12)",C8H7N3O,,,,,,QCDMYEHBRNFUQG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.990,224-188-0,4231-74-7,2-(1-methylhydrazino)pyridine,2-(1-methylhydrazino)pyridine,CN(N)c1ccccn1,CN(N)c1ccccn1,"InChI=1/C6H9N3/c1-9(7)6-4-2-3-5-8-6/h2-5H,7H2,1H3",C6H9N3,,,,,,QLNFKVFUZHBVHT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.625,249-103-4,28610-84-6,Rimazolium metilsulfate,"3-(ethoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate",CCOC(=O)C1=C[N+](=C2CCCC(C)N2C1=O)C.COS(=O)(=O)[O-],CCOC(=O)C1=C[N+](=C2CCCC(C)N2C1=O)C.COS(=O)(=O)[O-],"InChI=1/C13H19N2O3.CH4O4S/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16;1-5-6(2,3)4/h8-9H,4-7H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C13H19N2O3.CH3O4S,,,,,,SEISMQVOJUJKGE-UHFFFAOYSA-M,,,,,,,,,,,
100.044.629,249-108-1,28626-76-8,"17ß-hydroxy-4,17-dimethylandrost-4-en-3-one","17-hydroxy-4,17-dimethylandrost-4-en-3-one",CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)CCC1=O,CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)CCC1=O,"InChI=1/C21H32O2/c1-13-15-6-5-14-16(19(15,2)10-9-18(13)22)7-11-20(3)17(14)8-12-21(20,4)23/h14,16-17,23H,5-12H2,1-4H3",C21H32O2,,,,,,QVYNWPHQQYUBFK-FNEKEKTMSA-N,,,,,,,,,,,
100.044.633,249-112-3,28631-63-2,2(or 4)-(isopropyl)benzenesulphonic acid,4-isopropylbenzenesulfonic acid,CC(C)c1ccc(cc1)S(=O)(=O)O,CC(C)c1ccc(cc1)S(=O)(=O)O,"InChI=1/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)",C9H12O3S,,,,,,CVLHGLWXLDOELD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.644,249-124-9,28652-72-4,"Methyl-1,1'-biphenyl",2-methylbiphenyl,Cc1ccccc1c2ccccc2,Cc1ccccc1c2ccccc2,"InChI=1/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3",C13H12,,,,,,ALLIZEAXNXSFGD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.835,222-918-2,3663-37-4,"5-amino-3-phenyl-1,2,4-oxadiazole","3-phenyl-1,2,4-oxadiazol-5-amine",Nc1onc(n1)c2ccccc2,Nc1onc(n1)c2ccccc2,"InChI=1/C8H7N3O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)",C8H7N3O,,,,,,DZHVJUCGKWKRTO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.841,222-925-0,3664-95-7,"Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, monosodium salt, (11ß)-",-,[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O,[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O,"InChI=1/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H,26,27,28);/q;+1",C21H28O8S.Na,,,,,,LTWZNVWFOGRESW-WDCKKOMHSA-N,,,,,,,,,,,
100.020.843,222-927-1,3665-80-3,N-ethyl-4-nitroaniline,N-ethyl-4-nitroaniline,CCNc1ccc(cc1)[N+](=O)[O-],CCNc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H10N2O2/c1-2-9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3",C8H10N2O2,,,,,,XBNNLAWQCMDISJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.848,222-932-9,3669-80-5,11-hydroxyundecanoic acid,11-hydroxyundecanoic acid,OCCCCCCCCCCC(=O)O,OCCCCCCCCCCC(=O)O,"InChI=1/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)",C11H22O3,,,,,,KNRCBASNXNXUQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.849,222-933-4,3670-93-7,"2,4,8,10-tetraoxa-3,9-dithiaspiro[5.5]undecane 3,9-dioxide","2,4,8,10-tetraoxa-3,9-dithiaspiro[5.5]undecane 3,9-dioxide",O=S1OCC2(COS(=O)OC2)CO1,O=S1OCC2(COS(=O)OC2)CO1,InChI=1/C5H8O6S2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2,C5H8O6S2,,,,,,UCFQFMBCPHTKRN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.856,222-941-8,3674-13-3,"Ethyl 2,3-dibromopropionate","ethyl 2,3-dibromopropanoate",CCOC(=O)C(Br)CBr,CCOC(=O)C(Br)CBr,"InChI=1/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3",C5H8Br2O2,,,,,,OENICUBCLXKLJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.857,222-942-3,3674-33-7,"2-nitro-1H-indene-1,3(2H)-dione","2-nitro-1H-indene-1,3(2H)-dione",[O-][N+](=O)C1C(=O)c2ccccc2C1=O,[O-][N+](=O)C1C(=O)c2ccccc2C1=O,"InChI=1/C9H5NO4/c11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14/h1-4,7H",C9H5NO4,,,,,,CJGMVHVKJXBIDT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.860,222-946-5,3675-68-1,"1,1,2-tribromobutane","1,1,2-tribromobutane",CCC(Br)C(Br)Br,CCC(Br)C(Br)Br,"InChI=1/C4H7Br3/c1-2-3(5)4(6)7/h3-4H,2H2,1H3",C4H7Br3,,,,,,WMGQSHQUFZATPG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.862,222-948-6,3676-85-5,4-aminophthalimide,"5-amino-1H-isoindole-1,3(2H)-dione",Nc1ccc2C(=O)NC(=O)c2c1,Nc1ccc2C(=O)NC(=O)c2c1,"InChI=1/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12)",C8H6N2O2,,,,,,PXRKCOCTEMYUEG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.864,222-950-7,3678-15-7,[(vinyloxy)methyl]oxirane,2-[(vinyloxy)methyl]oxirane,C=COCC1CO1,C=COCC1CO1,"InChI=1/C5H8O2/c1-2-6-3-5-4-7-5/h2,5H,1,3-4H2",C5H8O2,,,,,,JJRUAPNVLBABCN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.865,222-951-2,3678-62-4,2-chloro-4-methylpyridine,2-chloro-4-methylpyridine,Cc1ccnc(Cl)c1,Cc1ccnc(Cl)c1,"InChI=1/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3",C6H6ClN,,,,,,MZVSTDHRRYQFGI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.866,222-952-8,3678-65-7,4-chloro-2-ethylpyridine,4-chloro-2-ethylpyridine,CCc1cc(Cl)ccn1,CCc1cc(Cl)ccn1,"InChI=1/C7H8ClN/c1-2-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3",C7H8ClN,,,,,,OUGWLZBVFAGJBC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.869,222-955-4,3678-72-6,4-benzhydrylpyridine,4-(diphenylmethyl)pyridine,c1ccc(cc1)C(c2ccccc2)c3ccncc3,c1ccc(cc1)C(c2ccccc2)c3ccncc3,"InChI=1/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H",C18H15N,,,,,,ZWLWOTHDIGRTNE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.872,222-959-6,5/02/3681,[(cyclohexyloxy)methyl]oxirane,2-[(cyclohexyloxy)methyl]oxirane,C(OC1CCCCC1)C2CO2,C(OC1CCCCC1)C2CO2,"InChI=1/C9H16O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h8-9H,1-7H2",C9H16O2,,,,,,XNJDQHLXEBQMDE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.783,223-960-4,4137-33-1,Ethyl 1-thio-a-D-glucofuranoside,ethyl 1-thio-alpha-D-glucofuranoside,CCS[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O,CCS[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O,"InChI=1/C8H16O5S/c1-2-14-8-6(12)5(11)7(13-8)4(10)3-9/h4-12H,2-3H2,1H3",C8H16O5S,,,,,,AEVJVTKPYCQIIQ-FMDGEEDCSA-N,,,,,,,,,,,
100.021.786,223-964-6,4140-20-9,Estrapronicate,"3-(propionyloxy)estra-1,3,5(10)-trien-17-yl nicotinate",CCC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)OC(=O)c5cccnc5,CCC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)OC(=O)c5cccnc5,"InChI=1/C27H31NO4/c1-3-25(29)31-19-7-9-20-17(15-19)6-8-22-21(20)12-13-27(2)23(22)10-11-24(27)32-26(30)18-5-4-14-28-16-18/h4-5,7,9,14-16,21-24H,3,6,8,10-13H2,1-2H3",C27H31NO4,,,,,,FXMSQUVSUXBBAB-TXDQRGGKSA-N,,,,,,,,,,,
100.021.790,223-968-8,4143-74-2,2-(4-methoxyphenyl)-4-benzopyrone,2-(4-methoxyphenyl)-4H-chromen-4-one,COc1ccc(cc1)C2=CC(=O)c3ccccc3O2,COc1ccc(cc1)C2=CC(=O)c3ccccc3O2,"InChI=1/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3",C16H12O3,,,,,,OMICQBVLCVRFGN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.998,220-896-9,2929-91-1,4-nitrobenzylidene di(acetate),(4-nitrophenyl)methylene diacetate,CC(=O)OC(OC(=O)C)c1ccc(cc1)N(=O)=O,CC(=O)OC(OC(=O)C)c1ccc(cc1)N(=O)=O,"InChI=1/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-3-5-10(6-4-9)12(15)16/h3-6,11H,1-2H3",C11H11NO6,,,,,,WGESNIARHZFDHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.502,222-551-8,3528-63-0,"2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine","2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCCC=CCCCCCCCC1=NCCN1CCN,CCCCCCCCC=CCCCCCCCC1=NCCN1CCN,"InChI=1/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h9-10H,2-8,11-21,23H2,1H3",C22H43N3,,,,,,DLIZJCBWTRNYKF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.505,222-554-4,9/01/3529,Disodium 8-(4-methylphenylamino)-5-(4-(3-sulphonatophenylazo)-1-naphthylazo)naphthalenesulphonate,disodium 8-[(4-methylphenyl)amino]-5-({4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccc(C)cc2)ccc6N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccc(C)cc2)ccc6N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45,"InChI=1/C33H25N5O6S2.2Na/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C33H25N5O6S2.2Na,,,,,,BMYUQZABARGLAD-UHFFFAOYSA-L,,,,,,,,,,,
100.020.507,222-557-0,6/08/3529,Piperidine-1-propylamine,3-piperidin-1-ylpropan-1-amine,NCCCN1CCCCC1,NCCCN1CCCCC1,InChI=1/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2,C8H18N2,,,,,,JMUCXULQKPWSTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.510,222-560-7,3530-19-6,"Disodium 8-[[4'-[(4-ethoxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonate","disodium 8-({4'-[(4-ethoxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].CCOc1ccc(cc1)N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c5c(ccc4O)cc(cc5S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CCOc1ccc(cc1)N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c5c(ccc4O)cc(cc5S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C30H24N4O8S2.2Na/c1-2-42-25-14-12-24(13-15-25)32-31-22-8-3-19(4-9-22)20-5-10-23(11-6-20)33-34-30-27(35)16-7-21-17-26(43(36,37)38)18-28(29(21)30)44(39,40)41;;/h3-18,35H,2H2,1H3,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C30H24N4O8S2.2Na,,,,,,PHOZXQMVPWPNAP-UHFFFAOYSA-L,,,,,,,,,,,
100.020.511,222-561-2,3530-28-7,Dimyristoyl peroxide,ditridecylperoxyanhydride,CCCCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCCCC,"InChI=1/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-32-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C28H54O4,,,,,,SLFUZVJZPBHLAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.518,222-569-6,3535-75-9,Pyridin-4-amine 1-oxide,pyridin-4-amine 1-oxide,Nc1cc[n+]([O-])cc1,Nc1cc[n+]([O-])cc1,"InChI=1/C5H6N2O/c6-5-1-3-7(8)4-2-5/h1-4H,6H2",C5H6N2O,,,,,,NDMWRWICFFKKDR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.519,222-570-1,3535-83-9,Tetraheptylammonium iodide,"N,N,N-triheptylheptan-1-aminium iodide",[I-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC,[I-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC,"InChI=1/C28H60N.HI/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",C28H60N.I,,,,,,KCSOHLKZTZMKQA-UHFFFAOYSA-M,,,,,,,,,,,
100.020.523,222-574-3,3536-89-8,Adenylyl-(3'-5')-adenosine 3'-monophosphate,-,Nc1ncnc2c1ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4OP(=O)(O)O)n5cnc6c(N)ncnc56)C3O,Nc1ncnc2c1ncn2C3OC(CO)C(OP(=O)(O)OCC4OC(C(O)C4OP(=O)(O)O)n5cnc6c(N)ncnc56)C3O,"InChI=1/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(32)13(7(1-31)40-19)43-45(37,38)39-2-8-14(42-44(34,35)36)12(33)20(41-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)",C20H26N10O13P2,,,,,,ABDWNIRZBUVFHC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.535,222-587-4,3544-25-0,4-aminophenylacetonitrile,(4-aminophenyl)acetonitrile,Nc1ccc(CC#N)cc1,Nc1ccc(CC#N)cc1,"InChI=1/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2",C8H8N2,,,,,,YCWRFIYBUQBHJI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.236,246-476-5,24817-51-4,2-phenylethyl 2-methylbutyrate,2-phenylethyl 2-methylbutanoate,CCC(C)C(=O)OCCc1ccccc1,CCC(C)C(=O)OCCc1ccccc1,"InChI=1/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3",C13H18O2,,,,,,KVKKTLBBYFABAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.238,246-478-6,24820-18-6,Dilithium fumarate,dilithium but-2-enedioate,[Li+].[Li+].[O-]C(=O)\\C=C\\C(=O)[O-],[Li+].[Li+].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.2Li/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H4O4.2Li,,,,,,PMUKAEUGVCXPDF-SEPHDYHBSA-L,,,,,,,,,,,
100.042.239,246-479-1,24821-22-5,"2,6-bis(trifluoromethyl)benzoic acid","2,6-bis(trifluoromethyl)benzoic acid",OC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F,OC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F,"InChI=1/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)",C9H4F6O2,,,,,,XZNLSDPNMNWCRE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.243,246-483-3,24827-78-9,"1,3-diethyl-1-(4-nitrophenyl)-3-phenylurea","1,3-diethyl-1-(4-nitrophenyl)-3-phenylurea",CCN(C(=O)N(CC)c1ccc(cc1)[N+](=O)[O-])c2ccccc2,CCN(C(=O)N(CC)c1ccc(cc1)[N+](=O)[O-])c2ccccc2,"InChI=1/C17H19N3O3/c1-3-18(14-8-6-5-7-9-14)17(21)19(4-2)15-10-12-16(13-11-15)20(22)23/h5-13H,3-4H2,1-2H3",C17H19N3O3,,,,,,MWQXCGJYCCBRJK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.876,248-280-5,27165-07-7,2-methyl-5-nitrobenzenediazonium,2-methyl-5-nitrobenzenediazonium,Cc1ccc(cc1[N+]#N)[N+](=O)[O-],Cc1ccc(cc1[N+]#N)[N+](=O)[O-],"InChI=1/C7H6N3O2/c1-5-2-3-6(10(11)12)4-7(5)9-8/h2-4H,1H3/q+1",C7H6N3O2,,,,,,BTODPCCUJFGIMS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.888,248-293-6,27177-05-5,"23-(nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-ol","23-(4-nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-ol",CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCO)cc1,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCO)cc1,"InChI=1/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3",C31H56O9,,,,,,XXPRRHYTDCWGRP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.053,249-574-6,29338-49-6,a-methyl-ß-phenylphenethyl alcohol,"1,1-diphenylpropan-2-ol",CC(O)C(c1ccccc1)c2ccccc2,CC(O)C(c1ccccc1)c2ccccc2,"InChI=1/C15H16O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3",C15H16O,,,,,,BDZAWYBXBHTHFM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.059,249-580-9,29350-73-0,"[1S-(1a,4a,4aa,6a,8aß)]-decahydro-4-isopropyl-1,6-dimethylnaphthalene, didehydro derivative","1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene",CC(C)C1CC=C(C)C2CC=C(C)CC12,CC(C)C1CC=C(C)C2CC=C(C)CC12,"InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3",C15H26,,,,,,USDOQCCMRDNVAH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.063,249-585-6,29362-74-1,"[1R-(1a,2ß,4ß,5a,6a)]-5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane","5,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane",CC1C2OC2C3CC1C3(C)C,CC1C2OC2C3CC1C3(C)C,"InChI=1/C10H16O/c1-5-6-4-7(10(6,2)3)9-8(5)11-9/h5-9H,4H2,1-3H3",C10H16O,,,,,,GTLIZHGJEKYQFS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.073,249-596-6,29385-43-1,Methyl-1H-benzotriazole,1-methyl-1H-benzotriazole,Cn1nnc2ccccc12,Cn1nnc2ccccc12,"InChI=1/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3",C7H7N3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14272,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.073,HXQHRUJXQJEGER-UHFFFAOYSA-N,Positive,AU224001|AU224002|AU224003|AU224004|AU224005;EQ279801|EQ279802|EQ279803|EQ279804|EQ279805|EQ279806|EQ279807|EQ279808|EQ279809;ETS00115,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCDscaled 80 (m/z=200) to 110 (m/z=120),134.0716:135.0745|134.0716:135.0746:133.0633|134.0714:133.0632:135.0744|134.0714:133.063:117.0447|133.063:134.071;134.0714:72.0444:56.0495|134.0712:72.0444:56.0495|72.0444:134.0714:56.0495|72.0444:134.0716:56.0495|72.0445:79.0542:56.0496|79.0543:72.0444:56.0495|95.0492:79.0543:105.0448|51.023:95.0491:105.0449|51.023:95.0492:105.0447;134.0706:91.0409:77.0378,Athens_Univ;Eawag;Eawag_Additional_Specs2,,,,,
100.045.080,249-603-2,29393-32-6,5-acetyldihydrofuran-2(3H)-one,5-acetyldihydrofuran-2(3H)-one,CC(=O)C1CCC(=O)O1,CC(=O)C1CCC(=O)O1,"InChI=1/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3",C6H8O3,,,,,,AHLDCEZSQNGEFT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.082,249-605-3,29398-96-7,"N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diamine","N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxybiphenyl-4,4'-diamine",COc1cc(ccc1Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c(OC)c3,COc1cc(ccc1Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c(OC)c3,"InChI=1/C26H20N6O10/c1-41-25-11-15(3-7-21(25)27-19-9-5-17(29(33)34)13-23(19)31(37)38)16-4-8-22(26(12-16)42-2)28-20-10-6-18(30(35)36)14-24(20)32(39)40/h3-14,27-28H,1-2H3",C26H20N6O10,,,,,,JIHCTUPQGPSRBD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.085,249-609-5,29401-90-9,Calcium hydroxymethanesulphinate,calcium bis(hydroxymethanesulfinate),[Ca+2].OCS(=O)[O-].OCS(=O)[O-],[Ca+2].OCS(=O)[O-].OCS(=O)[O-],"InChI=1/2CH4O3S.Ca/c2*2-1-5(3)4;/h2*2H,1H2,(H,3,4);/q;;+2/p-2",CH4O3S.xCa,,,,,,FYJUPLXMMHBEJS-UHFFFAOYSA-L,,,,,,,,,,,
100.045.092,249-616-3,29420-49-3,"Potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate","potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4HF9O3S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1",C4HF9O3S.K,,,,,,LVTHXRLARFLXNR-UHFFFAOYSA-M,,,,,,,,,,,
100.042.551,246-822-5,25317-10-6,"Hydrogen [4-[[4-(dimethylamino)phenyl](2-hydroxy-3,6-disulphonato-1-naphthyl)methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium","4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxynaphthalene-2,7-disulfonate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(O)c(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(O)c(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)/p-1",C27H26N2O7S2,,,,,,QEFJYMFUMVHTBR-UHFFFAOYSA-M,,,,,,,,,,,
100.021.993,224-191-7,4233-33-4,"4-phenyl-3H-1,2,4-triazole-3,5(4H)-dione","4-phenyl-3H-1,2,4-triazole-3,5(4H)-dione",O=C1N=NC(=O)N1c2ccccc2,O=C1N=NC(=O)N1c2ccccc2,InChI=1/C8H5N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,C8H5N3O2,,,,,,ISULLEUFOQSBGY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.998,224-196-4,4237-40-5,1-sec-butyl-4-nitrobenzene,1-sec-butyl-4-nitrobenzene,CCC(C)c1ccc(cc1)[N+](=O)[O-],CCC(C)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3",C10H13NO2,,,,,,IQRMCUYGEZOTSV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.125,218-836-1,2246-46-0,4-(thiazol-2-ylazo)resorcinol,"4-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol",Oc2ccc(N=Nc1nccs1)c(O)c2,Oc2ccc(N=Nc1nccs1)c(O)c2,"InChI=1/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H",C9H7N3O2S,,,,,,SHNIKUXMZFPPCS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.127,218-838-2,2247-91-8,1-(trifluoromethyl)vinyl acetate,1-(trifluoromethyl)vinyl acetate,CC(=O)OC(=C)C(F)(F)F,CC(=O)OC(=C)C(F)(F)F,"InChI=1/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3",C5H5F3O2,,,,,,VOKGSDIHTCTXDS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.128,218-839-8,2248-34-2,4-(morpholin-4-yl)benzenediazonium tetrafluoroborate,4-morpholin-4-ylbenzenediazonium tetrafluoroborate,F[B-](F)(F)F.N#[N+]c1ccc(cc1)N2CCOCC2,F[B-](F)(F)F.N#[N+]c1ccc(cc1)N2CCOCC2,"InChI=1/C10H12N3O.BF4/c11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;2-1(3,4)5/h1-4H,5-8H2;/q+1;-1",C10H12N3O.BF4,,,,,,QELIHZVLELFSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.794,223-973-5,4147-51-7,Dipropetryn,"6-(ethylsulfanyl)-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine",CCSc1nc(NC(C)C)nc(NC(C)C)n1,CCSc1nc(NC(C)C)nc(NC(C)C)n1,"InChI=1/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)",C11H21N5S,,,,,,NPWMZOGDXOFZIN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.796,223-975-6,5/03/4151,Methyl a-methylpyrrolidine-1-propionate,methyl 2-methyl-3-pyrrolidin-1-ylpropanoate,COC(=O)C(C)CN1CCCC1,COC(=O)C(C)CN1CCCC1,"InChI=1/C9H17NO2/c1-8(9(11)12-2)7-10-5-3-4-6-10/h8H,3-7H2,1-2H3",C9H17NO2,,,,,,CKYVYVAZNCMKAO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.797,223-976-1,6/04/4151,Methyl a-methylpiperidine-1-propionate,methyl 2-methyl-3-piperidin-1-ylpropanoate,COC(=O)C(C)CN1CCCCC1,COC(=O)C(C)CN1CCCCC1,"InChI=1/C10H19NO2/c1-9(10(12)13-2)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3",C10H19NO2,,,,,,UBJHJGYIZOTJCT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.798,223-977-7,7/05/4151,Methyl hexahydro-a-methyl-1H-azepine-1-propionate,methyl 3-azepan-1-yl-2-methylpropanoate,COC(=O)C(C)CN1CCCCCC1,COC(=O)C(C)CN1CCCCCC1,"InChI=1/C11H21NO2/c1-10(11(13)14-2)9-12-7-5-3-4-6-8-12/h10H,3-9H2,1-2H3",C11H21NO2,,,,,,RGTNCOFLOIQTDF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.801,223-980-3,4151-50-2,N-ethylheptadecafluorooctanesulphonamide,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3",C10H6F17NO2S,,,,,,CCEKAJIANROZEO-UHFFFAOYSA-N,Negative,,,,,,EA273151|EA273153,[M-H]-,CID35|HCD30,218.9863:168.9895:361.9839|218.9865,Eawag
100.021.813,223-993-4,4159-77-7,"4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1I,Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1I,"InChI=1/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H",C20H4Cl4I4O5,,,,,,IICCLYANAQEHCI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.814,223-995-5,4160-51-4,4'-methoxybutyrophenone,1-(4-methoxyphenyl)butan-1-one,CCCC(=O)c1ccc(OC)cc1,CCCC(=O)c1ccc(OC)cc1,"InChI=1/C11H14O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8H,3-4H2,1-2H3",C11H14O2,,,,,,JLCDSZXBELPBRD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.818,223-999-7,4160-92-3,3-methyl-3-phenylglutaric acid,3-methyl-3-phenylpentanedioic acid,CC(CC(=O)O)(CC(=O)O)c1ccccc1,CC(CC(=O)O)(CC(=O)O)c1ccccc1,"InChI=1/C12H14O4/c1-12(7-10(13)14,8-11(15)16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)(H,15,16)",C12H14O4,,,,,,LEHVKCUBJITYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.819,224-000-7,4160-93-4,3-ethyl-3-phenylglutaric acid,3-ethyl-3-phenylpentanedioic acid,CCC(CC(=O)O)(CC(=O)O)c1ccccc1,CCC(CC(=O)O)(CC(=O)O)c1ccccc1,"InChI=1/C13H16O4/c1-2-13(8-11(14)15,9-12(16)17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)(H,16,17)",C13H16O4,,,,,,QGUKASLBZHWGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.821,224-002-8,4161-32-4,"4,8-dioxaundecane-1,11-diol","3,3'-[propane-1,3-diylbis(oxy)]dipropan-1-ol",OCCCOCCCOCCCO,OCCCOCCCOCCCO,"InChI=1/C9H20O4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h10-11H,1-9H2",C9H20O4,,,,,,SZXVPIADNSVGTK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.833,224-015-9,4165-61-1,"[2,3,4,5,6-2H5]aniline",aniline,Nc1ccccc1,Nc1ccccc1,"InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",C6H2D5N,,,,,,PAYRUJLWNCNPSJ-UHFFFAOYSA-N,Positive,SM806006,[M+H]+,HCD35,94.0651:53.0388:105.0447,CASMI_2016,,,,,
100.020.874,222-961-7,3681-78-5,Propyl laurate,propyl laurate,CCCCCCCCCCCC(=O)OCCC,CCCCCCCCCCCC(=O)OCCC,"InChI=1/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h3-14H2,1-2H3",C15H30O2,,,,,,FTBUKOLPOATXGV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.376,224-612-4,4427-85-4,"(5ß)-3ß,14-dihydroxycardanolide","3,14-dihydroxycardanolide",C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)[C@@H]5COC(=O)C5,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)[C@@H]5COC(=O)C5,"InChI=1/C23H36O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h14-19,24,26H,3-13H2,1-2H3",C23H36O4,,,,,,CIQHGVTXALCNSM-ROIXOECXSA-N,,,,,,,,,,,
100.022.379,224-616-6,4429-97-4,"5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine","5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine",C1CCCCCc2ncncc2CCCC1,C1CCCCCc2ncncc2CCCC1,"InChI=1/C14H22N2/c1-2-4-6-8-10-14-13(9-7-5-3-1)11-15-12-16-14/h11-12H,1-10H2",C14H22N2,,,,,,CXLMQNDFKHWBOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.015.133,216-645-8,1633-44-9,"Pyridine-3,4-dicarbonitrile","pyridine-3,4-dicarbonitrile",N#Cc1ccncc1C#N,N#Cc1ccncc1C#N,"InChI=1/C7H3N3/c8-3-6-1-2-10-5-7(6)4-9/h1-2,5H",C7H3N3,,,,,,ALJUMASAQKRVRM-UHFFFAOYSA-N,,,,,,,,,,,
100.015.140,216-653-1,1634-04-4,tert-butyl methyl ether,tert-butyl methyl ether,COC(C)(C)C,COC(C)(C)C,"InChI=1/C5H12O/c1-5(2,3)6-4/h1-4H3",C5H12O,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15543,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.140,BZLVMXJERCGZMT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.145,216-658-9,1635-20-7,"3ß,11a,17-trihydroxy-16a-methyl-5a-pregnan-20-one","3,11,17-trihydroxy-16-methylpregnan-20-one",C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)C,C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)C,"InChI=1/C22H36O4/c1-12-9-17-16-6-5-14-10-15(24)7-8-20(14,3)19(16)18(25)11-21(17,4)22(12,26)13(2)23/h12,14-19,24-26H,5-11H2,1-4H3",C22H36O4,,,,,,OACVNSOUPWYEBL-JZOCASSUSA-N,,,,,,,,,,,
100.015.149,216-663-6,1636-25-5,Ethylphenylmalonic acid,ethyl(phenyl)malonic acid,CCC(C(=O)O)(C(=O)O)c1ccccc1,CCC(C(=O)O)(C(=O)O)c1ccccc1,"InChI=1/C11H12O4/c1-2-11(9(12)13,10(14)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)(H,14,15)",C11H12O4,,,,,,KDEAZJJSARLKAO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.151,216-665-7,1636-34-6,"2,3-diphenylbutane-2,3-diol","2,3-diphenylbutane-2,3-diol",CC(O)(c1ccccc1)C(C)(O)c2ccccc2,CC(O)(c1ccccc1)C(C)(O)c2ccccc2,"InChI=1/C16H18O2/c1-15(17,13-9-5-3-6-10-13)16(2,18)14-11-7-4-8-12-14/h3-12,17-18H,1-2H3",C16H18O2,,,,,,URPRLFISKOCZHR-UHFFFAOYSA-N,,,,,,,,,,,
100.015.152,216-666-2,1636-39-1,Bicyclopentyl,"1,1'-bi(cyclopentyl)",C1CCC(C1)C2CCCC2,C1CCC(C1)C2CCCC2,"InChI=1/C10H18/c1-2-6-9(5-1)10-7-3-4-8-10/h9-10H,1-8H2",C10H18,,,,,,MAWOHFOSAIXURX-UHFFFAOYSA-N,,,,,,,,,,,
100.015.153,216-667-8,1637-24-7,"2-methylpentane-2,4-diyl diacetate","2-methylpentane-2,4-diyl diacetate",CC(CC(C)(C)OC(=O)C)OC(=O)C,CC(CC(C)(C)OC(=O)C)OC(=O)C,"InChI=1/C10H18O4/c1-7(13-8(2)11)6-10(4,5)14-9(3)12/h7H,6H2,1-5H3",C10H18O4,,,,,,PTPLKZHLDXVIBT-UHFFFAOYSA-N,,,,,,,,,,,
100.015.165,216-680-9,1639-37-8,Ethyl a-oxofuran-2-acetate,ethyl 2-furyl(oxo)acetate,CCOC(=O)C(=O)c1occc1,CCOC(=O)C(=O)c1occc1,"InChI=1/C8H8O4/c1-2-11-8(10)7(9)6-4-3-5-12-6/h3-5H,2H2,1H3",C8H8O4,,,,,,GZEXNXJQYUBHHP-UHFFFAOYSA-N,,,,,,,,,,,
100.015.177,216-694-5,1641-74-3,Diethyl[2-(3-pyridiniocarbonyloxy)ethyl]ammonium hydrogen citrate,"2-(diethylamino)ethyl nicotinate 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCN(CC)CCOC(=O)c1cccnc1.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCN(CC)CCOC(=O)c1cccnc1.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C12H18N2O2.C6H8O7/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C12H18N2O2.C6H8O7,,,,,,IABBAGAOMDWOCW-UHFFFAOYSA-N,,,,,,,,,,,
100.015.182,216-699-2,1643-19-2,Tetrabutylammonium bromide,"N,N,N-tributylbutan-1-aminium bromide",[Br-].CCCC[N+](CCCC)(CCCC)CCCC,[Br-].CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",C16H36N.Br,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15982,https://echa.europa.eu/substance-information/-/substanceinfo/100.015.182,JRMUNVKIHCOMHV-UHFFFAOYSA-M,,,,,,,,,,,
100.039.139,243-069-4,19437-46-8,"3,3',3'',3'''-[[(3-hydroxypropyl)imino]bis(ethylenenitrilo)]tetrapropanol","3,3',3'',3''',3''''-(ethane-1,2-diylnitrilo)pentapropan-1-ol",OCCCN(CCCO)CCN(CCCO)CCN(CCCO)CCCO,OCCCN(CCCO)CCN(CCCO)CCN(CCCO)CCCO,"InChI=1/C19H43N3O5/c23-15-1-6-20(7-2-16-24)11-13-22(10-5-19-27)14-12-21(8-3-17-25)9-4-18-26/h23-27H,1-19H2",C19H43N3O5,,,,,,VGXGNFMEUOMDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.140,243-071-5,19438-10-9,Methyl 3-hydroxybenzoate,methyl 3-hydroxybenzoate,COC(=O)c1cccc(O)c1,COC(=O)c1cccc(O)c1,"InChI=1/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3",C8H8O3,,,,,,YKUCHDXIBAQWSF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.142,243-073-6,19438-61-0,4-methylphthalic anhydride,"5-methyl-2-benzofuran-1,3-dione",Cc1ccc2C(=O)OC(=O)c2c1,Cc1ccc2C(=O)OC(=O)c2c1,"InChI=1/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3",C9H6O3,,,,,,ZOXBWJMCXHTKNU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.143,243-074-1,19447-06-4,"a,2,6-trimethylbenzyl alcohol","1-(2,6-dimethylphenyl)ethanol",CC(O)c1c(C)cccc1C,CC(O)c1c(C)cccc1C,"InChI=1/C10H14O/c1-7-5-4-6-8(2)10(7)9(3)11/h4-6,9,11H,1-3H3",C10H14O,,,,,,BFLGMBBJIHKTAY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.542,222-595-8,3546-29-0,Thialbarbital sodium,-,[Na+].C=CCC1(C2CCCC=C2)C(=O)NC(=S)NC1=O,[Na+].C=CCC1(C2CCCC=C2)C(=O)NC(=S)NC1=O,"InChI=1/C13H16N2O2S.Na/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17;/h2,4,6,9H,1,3,5,7-8H2,(H2,14,15,16,17,18);/q;+1",C13H16N2O2S.Na,,,,,,GDJWAYOMFZFOTG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.535,220-388-7,3/11/2749,(+)-2-aminopropan-1-ol,2-aminopropan-1-ol,CC(N)CO,CC(N)CO,"InChI=1/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3",C3H9NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17701,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.535,BKMMTJMQCTUHRP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.536,220-389-2,2749-59-9,"2,4-dihydro-2,5-dimethyl-3H-pyrazol-3-one","2,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one",CN1N=C(C)CC1=O,CN1N=C(C)CC1=O,"InChI=1/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3",C5H8N2O,,,,,,NDELSWXIAJLWOU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.537,220-390-8,2750-76-7,Rifamide,"9-[2-(diethylamino)-2-oxoethoxy]-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate",CCN(CC)C(=O)COc1cc2NC(=O)\\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)\\C=C\\O[C@@]3(C)Oc4c(C)c(O)c(c2O)c1c4C3=O)\\C,CCN(CC)C(=O)COc1cc2NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)\C=C\O[C@@]3(C)Oc4c(C)c(O)c(c2O)c1c4C3=O)\C,"InChI=1/C43H58N2O13/c1-12-45(13-2)31(47)20-55-30-19-28-38(51)33-32(30)34-40(26(8)37(33)50)58-43(10,41(34)52)56-18-17-29(54-11)23(5)39(57-27(9)46)25(7)36(49)24(6)35(48)21(3)15-14-16-22(4)42(53)44-28/h14-19,21,23-25,29,35-36,39,48-51H,12-13,20H2,1-11H3,(H,44,53)",C43H58N2O13,,,,,,VFYNXKZVOUXHDX-VDPUEHCXSA-N,,,,,,,,,,,
100.018.545,220-399-7,2752-99-0,"Propane-1,2,3-triyl tris[(Z)-docos-13-enoate]","propane-1,2,3-triyl trisdocos-13-enoate",CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3",C69H128O6,,,,,,XDSPGKDYYRNYJI-IUPFWZBJSA-N,,,,,,,,,,,
100.018.546,220-400-0,2753-45-9,Mebeverine hydrochloride,"4-{ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino}butyl 3,4-dimethoxybenzoate hydrochloride",Cl.CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2,Cl.CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2,"InChI=1/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H",C25H35NO5.ClH,,,,,,PLGQWYOULXPJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.557,220-412-6,2756-87-8,Methyl hydrogen fumarate,4-methoxy-4-oxobut-2-enoic acid,OC(=O)/C=C/C(=O)OC,OC(=O)/C=C/C(=O)OC,"InChI=1/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)",C5H6O4,,,,,,NKHAVTQWNUWKEO-NSCUHMNNSA-N,,,,,,,,,,,
100.018.558,220-413-1,2/04/2757,Phenyl cinnamate,phenyl 3-phenylacrylate,O=C(Oc1ccccc1)\\C=C\\c2ccccc2,O=C(Oc1ccccc1)\C=C\c2ccccc2,InChI=1/C15H12O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,C15H12O2,,,,,,NBFNGRDFKUJVIN-VAWYXSNFSA-N,,,,,,,,,,,
100.018.561,220-416-8,2757-28-0,Tris(6-methylheptyl)amine,"6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine",CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C,CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C,"InChI=1/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3",C24H51N,,,,,,YKGBNAGNNUEZQC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.563,220-418-9,2757-92-8,2-(ethylthio)benzothiazole,"2-(ethylsulfanyl)-1,3-benzothiazole",CCSc1nc2ccccc2s1,CCSc1nc2ccccc2s1,"InChI=1/C9H9NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3",C9H9NS2,,,,,,HKIQFQKRAQSUJI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.564,220-419-4,7/06/2758,2-bromoethyltrimethylammonium bromide,"2-bromo-N,N,N-trimethylethanaminium bromide",[Br-].C[N+](C)(C)CCBr,[Br-].C[N+](C)(C)CCBr,"InChI=1/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1",C5H13BrN.Br,,,,,,OINMNSFDYTYXEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.566,220-422-0,2758-42-1,"4-(2,4-dichlorophenoxy)butyric acid, compound with dimethylamine (1:1)","4-(2,4-dichlorophenoxy)butanoic acid - N-methylmethanamine (1:1)",CNC.OC(=O)CCCOc1ccc(Cl)cc1Cl,CNC.OC(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C10H10Cl2O3.C2H7N/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14;1-3-2/h3-4,6H,1-2,5H2,(H,13,14);3H,1-2H3",C10H10Cl2O3.C2H7N,,,,,,KEIXJOCOXNOKHI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.571,220-427-8,2761-13-9,"1,1'-(ethylene)bis[5-oxopyrrolidine-3-carboxylic] acid","1,1'-ethane-1,2-diylbis(5-oxopyrrolidine-3-carboxylic acid)",OC(=O)C1CN(CCN2CC(CC2=O)C(=O)O)C(=O)C1,OC(=O)C1CN(CCN2CC(CC2=O)C(=O)O)C(=O)C1,"InChI=1/C12H16N2O6/c15-9-3-7(11(17)18)5-13(9)1-2-14-6-8(12(19)20)4-10(14)16/h7-8H,1-6H2,(H,17,18)(H,19,20)",C12H16N2O6,,,,,,OGLQPNPPUWVJFV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.577,220-434-6,2764-73-0,Nonacosan-15-one,nonacosan-15-one,CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC,CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC,"InChI=1/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C29H58O,,,,,,FVKQALGTGOKSSK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.578,220-435-1,9/11/2765,Pentadecanal,pentadecanal,CCCCCCCCCCCCCCC=O,CCCCCCCCCCCCCCC=O,"InChI=1/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3",C15H30O,,,,,,XGQJZNCFDLXSIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.552,246-823-0,25317-20-8,"5-(acetylamino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid","5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",CC(=O)Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O,CC(=O)Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)",C18H15N3O8S2,,,,,,RSNSKUBBVCGSND-UHFFFAOYSA-N,,,,,,,,,,,
100.042.553,246-824-6,25317-22-0,3-[[4-(benzoylethylamino)-2-methylphenyl]azo]-4-hydroxynaphthalene-1-sulphonic acid,3-({4-[benzoyl(ethyl)amino]-2-methylphenyl}diazenyl)-4-hydroxynaphthalene-1-sulfonic acid,O=C(c1ccccc1)N(CC)c4ccc(N=Nc3cc(c2ccccc2c3O)S(O)(=O)=O)c(C)c4,O=C(c1ccccc1)N(CC)c4ccc(N=Nc3cc(c2ccccc2c3O)S(O)(=O)=O)c(C)c4,"InChI=1/C26H23N3O5S/c1-3-29(26(31)18-9-5-4-6-10-18)19-13-14-22(17(2)15-19)27-28-23-16-24(35(32,33)34)20-11-7-8-12-21(20)25(23)30/h4-16,30H,3H2,1-2H3,(H,32,33,34)",C26H23N3O5S,,,,,,XZVZLEXTMDWIEK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.555,246-826-7,25317-39-9,"7-hydroxy-8-[[4-(phenylazo)phenyl]azo]naphthalene-1,3-disulphonic acid","7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonic acid",OS(=O)(=O)c4cc3ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c3c(c4)S(O)(=O)=O,OS(=O)(=O)c4cc3ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c3c(c4)S(O)(=O)=O,"InChI=1/C22H16N4O7S2/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15/h1-13,27H,(H,28,29,30)(H,31,32,33)",C22H16N4O7S2,,,,,,PIEQFSVTZMAUJA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.556,246-827-2,25317-45-7,"8-[[3,3'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonic acid","8-({3,3'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonic acid",Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c6ccc(N=Nc4c5c(ccc4O)cc(cc5S(O)(=O)=O)S(O)(=O)=O)c(C)c6,Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c6ccc(N=Nc4c5c(ccc4O)cc(cc5S(O)(=O)=O)S(O)(=O)=O)c(C)c6,"InChI=1/C37H30N4O10S3/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48)",C37H30N4O10S3,,,,,,SIGHAVOYMKYMPO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.564,246-836-1,25321-14-6,Dinitrotoluene,"1-methyl-2,3-dinitrobenzene",O=[N+]([O-])c1c(cccc1C)[N+]([O-])=O,O=[N+]([O-])c1c(cccc1C)[N+]([O-])=O,"InChI=1/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3",C7H6N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14593,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.564,DYSXLQBUUOPLBB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.565,246-837-7,25321-22-6,Dichlorobenzene,"1,2-dichlorobenzene",Clc1ccccc1Cl,Clc1ccccc1Cl,InChI=1/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4Cl2,,,,,,RFFLAFLAYFXFSW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.570,246-842-4,25322-20-7,Tetrachloroethane,"1,1,2,2-tetrachloroethane",ClC(Cl)C(Cl)Cl,ClC(Cl)C(Cl)Cl,InChI=1/C2H2Cl4/c3-1(4)2(5)6/h1-2H,C2H2Cl4,,,,,,QPFMBZIOSGYJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.580,246-853-4,25332-20-1,"1,2-dimethyl-5-nitro-1H-imidazole monohydrochloride","1,2-dimethyl-5-nitro-1H-imidazole hydrochloride",Cl.Cc1ncc([N+](=O)[O-])n1C,Cl.Cc1ncc([N+](=O)[O-])n1C,"InChI=1/C5H7N3O2.ClH/c1-4-6-3-5(7(4)2)8(9)10;/h3H,1-2H3;1H",C5H7N3O2.ClH,,,,,,UBQLFSIVOXQYEL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.585,246-859-7,25333-72-6,"4,5a-epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinan hydrogen terephthalate","terephthalic acid - 14-hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one (1:1)",COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O.OC(=O)c6ccc(cc6)C(=O)O,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O.OC(=O)c6ccc(cc6)C(=O)O,"InChI=1/C18H21NO4.C8H6O4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h3-4,13,16,21H,5-9H2,1-2H3;1-4H,(H,9,10)(H,11,12)",C18H21NO4.C8H6O4,,,,,,NRJLPDFIXKADPQ-RKXJKUSZSA-N,,,,,,,,,,,
100.042.588,246-862-3,25334-23-0,Nicotinamide hydrochloride,nicotinamide hydrochloride,Cl.NC(=O)c1cccnc1,Cl.NC(=O)c1cccnc1,"InChI=1/C6H6N2O.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);1H",C6H6N2O.ClH,,,,,,OBLVPWTUALCMGD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.595,246-870-7,25339-53-1,Decene,dec-1-ene,CCCCCCCCC=C,CCCCCCCCC=C,"InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3",C10H20,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2035,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.595,AFFLGGQVNFXPEV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.275,244-319-5,21293-29-8,"[S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid","5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid",CC(=CC(=O)O)C=CC1(O)C(=CC(=O)CC1(C)C)C,CC(=CC(=O)O)C=CC1(O)C(=CC(=O)CC1(C)C)C,"InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)",C15H20O4,,,,,,JLIDBLDQVAYHNE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.277,244-321-6,21296-94-6,"2,3-dimethyl-5-nitro-1H-indole","2,3-dimethyl-5-nitro-1H-indole",Cc1[nH]c2ccc(cc2c1C)[N+](=O)[O-],Cc1[nH]c2ccc(cc2c1C)[N+](=O)[O-],"InChI=1/C10H10N2O2/c1-6-7(2)11-10-4-3-8(12(13)14)5-9(6)10/h3-5,11H,1-2H3",C10H10N2O2,,,,,,LKIMRQIKTONPER-UHFFFAOYSA-N,,,,,,,,,,,
100.021.837,224-020-6,4166-53-4,3-methylglutaric anhydride,"5,5'-oxybis(3-methyl-5-oxopentanoic acid)",CC(CC(=O)O)CC(=O)OC(=O)CC(C)CC(=O)O,CC(CC(=O)O)CC(=O)OC(=O)CC(C)CC(=O)O,"InChI=1/C12H18O7/c1-7(3-9(13)14)5-11(17)19-12(18)6-8(2)4-10(15)16/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)",C6H8O3,,,,,,NTVLILWXLOBPJP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.839,224-022-7,9/05/4167,"Cadmium 4-(1,1-dimethylethyl)benzoate",cadmium bis(4-tert-butylbenzoate),[Cd+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],[Cd+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],"InChI=1/2C11H14O2.Cd/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",C11H14O2.1/2Cd,,,,,,AVNPYADPFYLJJA-UHFFFAOYSA-L,,,,,,,,,,,
100.021.840,224-023-2,2/08/4167,"9,10,12,13,15,16-hexabromooctadecanoic acid","9,10,12,13,15,16-hexabromooctadecanoic acid",CCC(Br)C(Br)CC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O,CCC(Br)C(Br)CC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O,"InChI=1/C18H30Br6O2/c1-2-12(19)14(21)10-16(23)17(24)11-15(22)13(20)8-6-4-3-5-7-9-18(25)26/h12-17H,2-11H2,1H3,(H,25,26)",C18H30Br6O2,,,,,,XIVWIZLTAYDHDS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.559,222-615-5,3555-86-0,"2,4,6-trihydroxybenzophenone","phenyl(2,4,6-trihydroxyphenyl)methanone",Oc1cc(O)c(C(=O)c2ccccc2)c(O)c1,Oc1cc(O)c(C(=O)c2ccccc2)c(O)c1,"InChI=1/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H",C13H10O4,,,,,,CPEXFJVZFNYXGU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.562,222-618-1,3558-24-5,1-methyl-2-phenylindole,1-methyl-2-phenyl-1H-indole,Cn1c(cc2ccccc12)c3ccccc3,Cn1c(cc2ccccc12)c3ccccc3,"InChI=1/C15H13N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3",C15H13N,,,,,,SFWZZSXCWQTORH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.573,222-630-7,3562-84-3,Benzbromarone,"(3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone",CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3,CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3,"InChI=1/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",C17H12Br2O3,,,,,,WHQCHUCQKNIQEC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.576,222-633-3,3563-27-7,"Estra-1,3,5(10),7-tetraene-3,17ß-diol","estra-1,3,5(10),7-tetraene-3,17-diol",C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,"InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3",C18H22O2,,,,,,NLLMJANWPUQQTA-UBDQQSCGSA-N,,,,,,,,,,,
100.020.579,222-637-5,3563-84-6,"ß-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, compd. with O-2-deoxy-2-(methylamino)-a-l-glucopyranosyl-(1<U+2192>2)-O-5-deoxy-3-C-(hydroxymethyl)-a-l-lyxofuranosyl-(1<U+2192>4)-N,N'-bis(aminoiminomethyl)-d-streptamine","N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine",CC(C)(CO)C(O)C(=O)NCCC(=O)O,CC(C)(CO)C(O)C(=O)NCCC(=O)O,"InChI=1/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",C21H41N7O12.xC9H17NO5,,,,,,GHOKWGTUZJEAQD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.584,222-642-2,3564-21-4,Disodium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,disodium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Na+].[Na+].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,[Na+].[Na+].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.2Na/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H13ClN2O6S.2Na,,,,,,NDEREBNOSVNICA-UHFFFAOYSA-L,,,,,,,,,,,
100.020.587,222-645-9,3564-27-0,Disodium 5-(4-(4-sulphophenylazo)phenylazo)salicylate,disodium 5-(4-(4-sulphophenylazo)phenylazo)salicylate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc3ccc(N=Nc2ccc(cc2)S(O)(=O)=O)cc3.OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccc(O)c(c3)C([O-])=O,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc3ccc(N=Nc2ccc(cc2)S(O)(=O)=O)cc3.OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccc(O)c(c3)C([O-])=O,"InChI=1/2C19H14N4O6S.2Na/c2*24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29;;/h2*1-11,24H,(H,25,26)(H,27,28,29);;/q;;2*+1/p-2",C19H14N4O6S.2Na,,,,,,XFHFGDLKYNKIFN-UHFFFAOYSA-L,,,,,,,,,,,
100.020.588,222-646-4,3564-28-1,"Disodium 5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc3ccc(cc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].[Na+].Oc3ccc(cc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C16H12N4O10S2.2Na/c17-10-6-9(31(25,26)27)3-7-4-13(32(28,29)30)15(16(22)14(7)10)19-18-11-5-8(20(23)24)1-2-12(11)21;;/h1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C16H12N4O10S2.2Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10470,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.588,ZJFCBBBAQGUBFR-UHFFFAOYSA-L,,,,,,,,,,,
100.020.592,222-651-1,7/10/3566,Diammonium ethylenebis[dithiocarbamate],"diammonium ethane-1,2-diylbis(dithiocarbamate)",[NH4+].[NH4+].[S-]C(=S)NCCNC(=S)[S-],[NH4+].[NH4+].[S-]C(=S)NCCNC(=S)[S-],"InChI=1/C4H8N2S4.2H3N/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1H3",C4H8N2S4.2H3N,,,,,,FROZIYRKKUFAOC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.585,220-443-5,2767-54-6,Triethyltin bromide,triethylstannanylium bromide,[Br-].CC[Sn+](CC)CC,[Br-].CC[Sn+](CC)CC,"InChI=1/3C2H5.BrH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1/rC6H15Sn.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1",C6H15BrSn,,,,,,KQPIFPBKXYBDGV-UHFFFAOYSA-M,,,,,,,,,,,
100.018.587,220-445-6,2767-80-8,Phosphinidynetrimethanol,phosphinetriyltrimethanol,OCP(CO)CO,OCP(CO)CO,"InChI=1/C3H9O3P/c4-1-7(2-5)3-6/h4-6H,1-3H2",C3H9O3P,,,,,,JMXMXKRNIYCNRV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.148,243-079-9,19455-76-6,Calcium malonate,calcium malonate,[Ca+2].[O-]C(=O)CC(=O)[O-],[Ca+2].[O-]C(=O)CC(=O)[O-],"InChI=1/C3H4O4.Ca/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+2/p-2",C3H4O4.Ca,,,,,,MLMODXBPCNLAGP-UHFFFAOYSA-L,,,,,,,,,,,
100.039.151,243-083-0,19461-35-9,trans-4-tert-butylcyclohexylmethyl acetate,(4-tert-butylcyclohexyl)methyl acetate,CC(=O)OCC1CCC(CC1)C(C)(C)C,CC(=O)OCC1CCC(CC1)C(C)(C)C,"InChI=1/C13H24O2/c1-10(14)15-9-11-5-7-12(8-6-11)13(2,3)4/h11-12H,5-9H2,1-4H3",C13H24O2,,,,,,WKUHCAGBLASMGF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.152,243-084-6,19461-37-1,2-glycylaminobutyric acid,2-(glycylamino)butanoic acid,CCC(NC(=O)CN)C(=O)O,CCC(NC(=O)CN)C(=O)O,"InChI=1/C6H12N2O3/c1-2-4(6(10)11)8-5(9)3-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)",C6H12N2O3,,,,,,XHUWGEILXFVFMR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.156,243-088-8,19467-38-0,(Z)-2-hydroxy-3-[(1-oxo-9-octadecenyl)oxy]propyltrimethylammonium chloride,"2-hydroxy-N,N,N-trimethyl-3-(oleoyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)C[N+](C)(C)C,[Cl-].CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)C[N+](C)(C)C,"InChI=1/C24H48NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)28-22-23(26)21-25(2,3)4;/h12-13,23,26H,5-11,14-22H2,1-4H3;1H/q+1;/p-1",C24H48NO3.Cl,,,,,,OYUNFRDRYWKVEV-USGGBSEESA-M,,,,,,,,,,,
100.039.175,243-109-0,19488-17-6,Sodium 3-methyl-4-phenyl-3-butenoate,sodium 3-methyl-4-phenylbut-3-enoate,[Na+].CC(=Cc1ccccc1)CC([O-])=O,[Na+].CC(=Cc1ccccc1)CC([O-])=O,"InChI=1/C11H12O2.Na/c1-9(8-11(12)13)7-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H,12,13);/q;+1/p-1",C11H12O2.Na,,,,,,PQUXIHWTFMAFMT-UHFFFAOYSA-M,,,,,,,,,,,
100.039.176,243-110-6,19490-92-7,a-methyl-a-phenylpyridine-2-methanol,1-phenyl-1-pyridin-2-ylethanol,CC(O)(c1ccccc1)c2ccccn2,CC(O)(c1ccccc1)c2ccccn2,"InChI=1/C13H13NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-10,15H,1H3",C13H13NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8124,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.176,JZSWVCNVNOZMFN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.180,243-114-8,19500-95-9,Methoxyacetic anhydride,methoxyacetic anhydride,COCC(=O)OC(=O)COC,COCC(=O)OC(=O)COC,"InChI=1/C6H10O5/c1-9-3-5(7)11-6(8)4-10-2/h3-4H2,1-2H3",C6H10O5,,,,,,PEHFQQWAINXOQG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.649,249-130-1,28657-39-8,3-chloro-4-methyl-6-phenylpyridazine,3-chloro-4-methyl-6-phenylpyridazine,Cc1cc(nnc1Cl)c2ccccc2,Cc1cc(nnc1Cl)c2ccccc2,"InChI=1/C11H9ClN2/c1-8-7-10(13-14-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3",C11H9ClN2,,,,,,ROVPWRBPJHXFRE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.651,249-132-2,28657-79-6,"1-ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile","1-ethyl-4-oxo-1,4-dihydro[1,3]dioxolo[4,5-g]cinnoline-3-carbonitrile",CCN1N=C(C#N)C(=O)c2cc3OCOc3cc12,CCN1N=C(C#N)C(=O)c2cc3OCOc3cc12,"InChI=1/C12H9N3O3/c1-2-15-9-4-11-10(17-6-18-11)3-7(9)12(16)8(5-13)14-15/h3-4H,2,6H2,1H3",C12H9N3O3,,,,,,ZJNYDFMLLCPHFY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.654,249-135-9,28664-08-6,"6,6-dimethylbicyclo[3.1.1]heptan-2-ol","6,6-dimethylbicyclo[3.1.1]heptan-2-ol",CC1(C)C2CCC(O)C1C2,CC1(C)C2CCC(O)C1C2,"InChI=1/C9H16O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8,10H,3-5H2,1-2H3",C9H16O,,,,,,DEDZBEBBIUTZAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.657,249-139-0,28664-92-8,3-(phenoxymethyl)-2-benzofurancarboxylic acid,3-(phenoxymethyl)-1-benzofuran-2-carboxylic acid,OC(=O)c1oc2ccccc2c1COc3ccccc3,OC(=O)c1oc2ccccc2c1COc3ccccc3,"InChI=1/C16H12O4/c17-16(18)15-13(10-19-11-6-2-1-3-7-11)12-8-4-5-9-14(12)20-15/h1-9H,10H2,(H,17,18)",C16H12O4,,,,,,VJKTUIWQQYVRRB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.658,249-140-6,28672-54-0,2-(2-ethoxyethyl)pyridine,2-(2-ethoxyethyl)pyridine,CCOCCc1ccccn1,CCOCCc1ccccn1,"InChI=1/C9H13NO/c1-2-11-8-6-9-5-3-4-7-10-9/h3-5,7H,2,6,8H2,1H3",C9H13NO,,,,,,BVFWKBCHXXZOJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.664,249-146-9,28677-93-2,Methoxy-1-propanol,1-methoxypropan-1-ol,CCC(O)OC,CCC(O)OC,"InChI=1/C4H10O2/c1-3-4(5)6-2/h4-5H,3H2,1-2H3",C4H10O2,,,,,,LHENQXAPVKABON-UHFFFAOYSA-N,,,,,,,,,,,
100.044.666,249-149-5,28679-10-9,Ethylcyclohexanedithiol,"2-ethylcyclohexane-1,1-dithiol",CCC1CCCCC1(S)S,CCC1CCCCC1(S)S,"InChI=1/C8H16S2/c1-2-7-5-3-4-6-8(7,9)10/h7,9-10H,2-6H2,1H3",C8H16S2,,,,,,QKACLVHIJAYRIA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.675,249-158-4,28692-27-5,3-amino-1-imino-5-methoxy-1H-isoindole,1-imino-5-methoxy-1H-isoindol-3-amine,COc1ccc2C(=N)N=C(N)c2c1,COc1ccc2C(=N)N=C(N)c2c1,"InChI=1/C9H9N3O/c1-13-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3,(H3,10,11,12)",C9H9N3O,,,,,,ULNBACHCVNVEHG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.581,220-438-8,2765-59-5,2-chloro-10-(3-chloropropyl)-10H-phenothiazine,2-chloro-10-(3-chloropropyl)-10H-phenothiazine,ClCCCN1c2ccccc2Sc3ccc(Cl)cc13,ClCCCN1c2ccccc2Sc3ccc(Cl)cc13,"InChI=1/C15H13Cl2NS/c16-8-3-9-18-12-4-1-2-5-14(12)19-15-7-6-11(17)10-13(15)18/h1-2,4-7,10H,3,8-9H2",C15H13Cl2NS,,,,,,SGWITRIKWQUYGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.582,220-439-3,2765-97-1,2-(dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride,2-(dimethylamino)ethyl diphenyl(prop-2-yn-1-yloxy)acetate hydrochloride,Cl.CN(C)CCOC(=O)C(OCC#C)(c1ccccc1)c2ccccc2,Cl.CN(C)CCOC(=O)C(OCC#C)(c1ccccc1)c2ccccc2,"InChI=1/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H",C21H23NO3.ClH,,,,,,RSBGQTFIHFGTSY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.583,220-440-9,2766-51-0,(3-amino-3-carboxypropyl)dimethylsulphonium bromide,(3-amino-3-carboxypropyl)(dimethyl)sulfonium bromide,[Br-].C[S+](C)CCC(N)C(=O)O,[Br-].C[S+](C)CCC(N)C(=O)O,"InChI=1/C6H13NO2S.BrH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H",C6H14NO2S.Br,,,,,,CWRPHDXBTKMSKT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.957,224-151-9,7/01/4216,"N-(9,10-dihydro-9,10-dioxoanthracen-1-yl)-7-oxo-7H-benzo[e]perimidine-4-carboxamide","N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-7-oxo-7H-benzo[e]perimidine-4-carboxamide",O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc5C(=O)c6ccccc6c7ncnc4c57,O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc5C(=O)c6ccccc6c7ncnc4c57,"InChI=1/C30H15N3O4/c34-27-16-7-2-1-6-15(16)25-24-20(27)12-13-21(26(24)32-14-31-25)30(37)33-22-11-5-10-19-23(22)29(36)18-9-4-3-8-17(18)28(19)35/h1-14H,(H,33,37)",C30H15N3O4,,,,,,PJBUAUDOFQVXSU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.958,224-152-4,8/02/4216,"Bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione","bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione",O=C1c2ccc3C(=O)n4c(nc5ccccc45)c6ccc(c7nc8ccccc8n17)c2c36,O=C1c2ccc3C(=O)n4c(nc5ccccc45)c6ccc(c7nc8ccccc8n17)c2c36,InChI=1/C26H12N4O2/c31-25-15-11-12-16-22-14(24-28-18-6-2-4-8-20(18)30(24)26(16)32)10-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h1-12H,C26H12N4O2,,,,,,YMEPVPIIHONYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.968,224-163-4,4220-32-0,2-(dimethylamino)ethyl carbamate,2-(dimethylamino)ethyl carbamate,CN(C)CCOC(=O)N,CN(C)CCOC(=O)N,"InChI=1/C5H12N2O2/c1-7(2)3-4-9-5(6)8/h3-4H2,1-2H3,(H2,6,8)",C5H12N2O2,,,,,,LPVCCSSTZWTHFO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.977,224-173-9,4223-14-7,"1,3,5-tris(2,3-epoxypropoxy)benzene","2,2',2''-[benzene-1,3,5-triyltris(oxymethylene)]trioxirane",C(Oc1cc(OCC2CO2)cc(OCC3CO3)c1)C4CO4,C(Oc1cc(OCC2CO2)cc(OCC3CO3)c1)C4CO4,"InChI=1/C15H18O6/c1-10(16-4-13-7-19-13)2-12(18-6-15-9-21-15)3-11(1)17-5-14-8-20-14/h1-3,13-15H,4-9H2",C15H18O6,,,,,,BWDQITNIYSXSON-UHFFFAOYSA-N,,,,,,,,,,,
100.021.979,224-176-5,4224-70-8,6-bromohexanoic acid,6-bromohexanoic acid,OC(=O)CCCCCBr,OC(=O)CCCCCBr,"InChI=1/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)",C6H11BrO2,,,,,,NVRVNSHHLPQGCU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.981,224-178-6,4228-00-6,Phenyl laurate,phenyl laurate,CCCCCCCCCCCC(=O)Oc1ccccc1,CCCCCCCCCCCC(=O)Oc1ccccc1,"InChI=1/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-18(19)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3",C18H28O2,,,,,,ZPORCTAUIXXZAI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.984,224-181-2,4229-44-1,N-methylhydroxylamine hydrochloride,N-hydroxymethanamine hydrochloride,Cl.CNO,Cl.CNO,"InChI=1/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H",CH5NO.ClH,,,,,,RGZRSLKIOCHTSI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.985,224-182-8,4229-91-8,2-propylfuran,2-propylfuran,CCCc1occc1,CCCc1occc1,"InChI=1/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3",C7H10O,,,,,,CPLJMYOQYRCCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.994,224-192-2,4234-72-4,"3,3'-[[4-[(4-nitrophenyl)azo]phenyl]imino]bispropiononitrile","3,3'-({4-[(4-nitrophenyl)diazenyl]phenyl}imino)dipropanenitrile",[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCC#N)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCC#N)cc2,"InChI=1/C18H16N6O2/c19-11-1-13-23(14-2-12-20)17-7-3-15(4-8-17)21-22-16-5-9-18(10-6-16)24(25)26/h3-10H,1-2,13-14H2",C18H16N6O2,,,,,,GBDZJIRSFAYQLT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.126,218-837-7,2246-49-3,o-bis(epoxyethyl)benzene,"2,2'-(1,2-phenylene)dioxirane",C1OC1c2ccccc2C3CO3,C1OC1c2ccccc2C3CO3,"InChI=1/C10H10O2/c1-2-4-8(10-6-12-10)7(3-1)9-5-11-9/h1-4,9-10H,5-6H2",C10H10O2,,,,,,PNKXHASQRASSBI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.795,223-974-0,8/06/4149,3-amino-1-phenyl-5-pyrazolone,"5-amino-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NC1=CC(=O)N(N1)c2ccccc2,NC1=CC(=O)N(N1)c2ccccc2,"InChI=1/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H,10H2",C9H9N3O,,,,,,PVKNQGWSRAGMNM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.800,223-979-8,4151-35-3,Dipotassium fumarate,dipotassium but-2-enedioate,[K+].[K+].[O-]C(=O)\\C=C\\C(=O)[O-],[K+].[K+].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.2K/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H4O4.2K,,,,,,SHPKCSFVQGSAJU-SEPHDYHBSA-L,,,,,,,,,,,
100.021.804,223-984-5,4/09/4152,N-benzylethylenediamine,"N-benzylethane-1,2-diamine",NCCNCc1ccccc1,NCCNCc1ccccc1,"InChI=1/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2",C9H14N2,,,,,,ACYBVNYNIZTUIL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.279,244-323-7,21300-06-1,Aluminium tri(naphthalene-2-sulphonate),aluminum trinaphthalene-2-sulfonate,[Al+3].[O-]S(=O)(=O)c1ccc2ccccc2c1.[O-]S(=O)(=O)c3ccc4ccccc4c3.[O-]S(=O)(=O)c5ccc6ccccc6c5,[Al+3].[O-]S(=O)(=O)c1ccc2ccccc2c1.[O-]S(=O)(=O)c3ccc4ccccc4c3.[O-]S(=O)(=O)c5ccc6ccccc6c5,"InChI=1/3C10H8O3S.Al/c3*11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h3*1-7H,(H,11,12,13);/q;;;+3/p-3",C10H8O3S.1/3Al,,,,,,WILMEPBBWUELFR-UHFFFAOYSA-K,,,,,,,,,,,
100.040.284,244-328-4,21306-13-8,Vinyl docosanoate,vinyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OC=C,CCCCCCCCCCCCCCCCCCCCCC(=O)OC=C,"InChI=1/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h4H,2-3,5-23H2,1H3",C24H46O2,,,,,,RLPIKSHMNSAWRK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.285,244-330-5,21312-10-7,N-[4-[[(5-methylisoxazol-3-yl)amino]sulphonyl]phenyl]acetamide,N-{4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl}acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)on2,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)on2,"InChI=1/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)",C12H13N3O4S,,,,,,GXPIUNZCALHVBA-UHFFFAOYSA-N,Positive/Negative,mzcloud:1097,[M+Na]+;[M+H]+;[2M+Na]+;[2M+H]+,HCD_Averaged,65.03858:108.0444:134.06005:136.07568:188.0818:198.02195:236.0488,HighChem,mzcloud:1097,[M-H]-,HCD_Averaged,92.0506:134.06114:150.05605:198.0230,HighChem
100.040.286,244-331-0,21314-17-0,"1,5-dihydro-1-phenyl-4H-pyrazolo[3,4-d]pyrimidin-4-one","1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",O=C1NC=Nc2c1cnn2c3ccccc3,O=C1NC=Nc2c1cnn2c3ccccc3,"InChI=1/C11H8N4O/c16-11-9-6-14-15(10(9)12-7-13-11)8-4-2-1-3-5-8/h1-7H,(H,12,13,16)",C11H8N4O,,,,,,GDZQGHGCKKWNAC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.288,244-333-1,21324-39-0,Sodium hexafluorophosphate,sodium hexafluorophosphate,[Na+].F[P-](F)(F)(F)(F)F,[Na+].F[P-](F)(F)(F)(F)F,"InChI=1/F6P.Na/c1-7(2,3,4,5)6;/q-1;+1",F6P.Na,,,,,,KMADQUOCJBLXRP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.291,244-336-8,21331-86-2,"N,N-bis(dimethylsilyl)-1,1-dimethylsilylamine","N,N-bis(dimethylsilyl)-1,1-dimethylsilanamine",C[SiH](C)N([SiH](C)C)[SiH](C)C,C[SiH](C)N([SiH](C)C)[SiH](C)C,"InChI=1/C6H21NSi3/c1-8(2)7(9(3)4)10(5)6/h8-10H,1-6H3",C6H21NSi3,,,,,,GKWYOXBGKANRMK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.296,244-342-0,21348-60-7,"Oxalic acid, tantalum salt",tantalum(2+) oxalate,[Ta+2].[O-]C(=O)C(=O)[O-],[Ta+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Ta/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.xTa,,,,,,KEOTXBYRHDPUMK-UHFFFAOYSA-L,,,,,,,,,,,
100.040.301,244-347-8,21363-18-8,Viminol,1-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]-2-(di-sec-butylamino)ethanol,CCC(C)N(CC(O)c1cccn1Cc2ccccc2Cl)C(C)CC,CCC(C)N(CC(O)c1cccn1Cc2ccccc2Cl)C(C)CC,"InChI=1/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3",C21H31ClN2O,,,,,,ZILPIBYANAFGMS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.309,244-356-7,21393-59-9,"Dihydrogen [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']ferrate(2-)","[2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetato(2-)]iron",OC(=O)CN(CCN1CC(=O)O[Fe]OC(=O)C1)CC(=O)O,OC(=O)CN(CCN1CC(=O)O[Fe]OC(=O)C1)CC(=O)O,"InChI=1/C10H16N2O8.Fe/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2",C10H12FeN2O8.2H,,,,,,JVXHQHGWBAHSSF-UHFFFAOYSA-L,,,,,,,,,,,
100.040.313,244-360-9,21394-50-3,N-(1-oxooctyl)-DL-methionine,N-octanoyl-L-methionine,O=C(N[C@@H](CCSC)C(O)=O)CCCCCCC,O=C(N[C@@H](CCSC)C(O)=O)CCCCCCC,"InChI=1/C13H25NO3S/c1-3-4-5-6-7-8-12(15)14-11(13(16)17)9-10-18-2/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)",C13H25NO3S,,,,,,QZNATRWVQKQCCC-NSHDSACASA-N,,,,,,,,,,,
100.043.902,248-308-6,27189-31-7,"N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]acetamide","N-{5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(CCO)CCO)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(CCO)CCO)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H23BrN6O8/c1-3-35-19-11-16(15(22-12(2)30)10-17(19)25(4-6-28)5-7-29)23-24-20-14(21)8-13(26(31)32)9-18(20)27(33)34/h8-11,28-29H,3-7H2,1-2H3,(H,22,30)",C20H23BrN6O8,,,,,,CZRLMQSJSAOTOP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.904,248-310-7,27193-28-8,"(1,1,3,3-tetramethylbutyl)phenol","2-(1,1,3,3-tetramethylbutyl)phenol",CC(C)(C)CC(C)(C)c1ccccc1O,CC(C)(C)CC(C)(C)c1ccccc1O,"InChI=1/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3",C14H22O,,,,,,XSXWOBXNYNULJG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.913,248-320-1,27205-03-4,"2,2'-[sulphonylbis(4,1-phenyleneoxy)]bisethanol","2,2'-[sulfonylbis(4,1-phenyleneoxy)]diethanol",OCCOc1ccc(cc1)S(=O)(=O)c2ccc(OCCO)cc2,OCCOc1ccc(cc1)S(=O)(=O)c2ccc(OCCO)cc2,"InChI=1/C16H18O6S/c17-9-11-21-13-1-5-15(6-2-13)23(19,20)16-7-3-14(4-8-16)22-12-10-18/h1-8,17-18H,9-12H2",C16H18O6S,,,,,,UTNSTOOXQPHXJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.914,248-321-7,27205-24-9,3-(ethylthio)butyraldehyde,3-(ethylsulfanyl)butanal,CCSC(C)CC=O,CCSC(C)CC=O,"InChI=1/C6H12OS/c1-3-8-6(2)4-5-7/h5-6H,3-4H2,1-2H3",C6H12OS,,,,,,SIWPVNYSXLWJNM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.915,248-322-2,27205-99-8,"Sodium O,O-diisopropyl dithiophosphate","sodium O,O-diisopropyl dithiophosphate",[Na+].CC(C)OP(=S)([S-])OC(C)C,[Na+].CC(C)OP(=S)([S-])OC(C)C,"InChI=1/C6H15O2PS2.Na/c1-5(2)7-9(10,11)8-6(3)4;/h5-6H,1-4H3,(H,10,11);/q;+1/p-1",C6H15O2PS2.Na,,,,,,ZRNMDYDECQBXQW-UHFFFAOYSA-M,,,,,,,,,,,
100.018.590,220-448-2,2767-99-9,Diallyl itaconate,diallyl 2-methylenesuccinate,C=CCOC(=O)CC(=C)C(=O)OCC=C,C=CCOC(=O)CC(=C)C(=O)OCC=C,"InChI=1/C11H14O4/c1-4-6-14-10(12)8-9(3)11(13)15-7-5-2/h4-5H,1-3,6-8H2",C11H14O4,,,,,,LOFFYVIZWSPGIT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.593,220-451-9,2768-15-2,2-butylhexanol,2-butylhexan-1-ol,CCCCC(CO)CCCC,CCCCC(CO)CCCC,"InChI=1/C10H22O/c1-3-5-7-10(9-11)8-6-4-2/h10-11H,3-9H2,1-2H3",C10H22O,,,,,,LAPPDPWPIZBBJY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.596,220-455-0,2768-56-1,N-benzyloxycarbonyl-DL-serine,N-[(benzyloxy)carbonyl]-D-serine,OC(=O)[C@H](CO)NC(=O)OCc1ccccc1,OC(=O)[C@H](CO)NC(=O)OCc1ccccc1,"InChI=1/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)",C11H13NO5,,,,,,GNIDSOFZAKMQAO-VIFPVBQESA-N,,,,,,,,,,,
100.018.597,220-456-6,2768-89-0,"9-(2-carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride","9-(2-carboxyphenyl)-3,6-bis(ethylamino)xanthenium chloride",[Cl-].CCNc1ccc2c(c3ccccc3C(=O)O)c4ccc(NCC)cc4[o+]c2c1,[Cl-].CCNc1ccc2c(c3ccccc3C(=O)O)c4ccc(NCC)cc4[o+]c2c1,"InChI=1/C24H22N2O3.ClH/c1-3-25-15-9-11-19-21(13-15)29-22-14-16(26-4-2)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;/h5-14,25-26H,3-4H2,1-2H3;1H",C24H23N2O3.Cl,,,,,,WUWVJHQLLYTZMT-UHFFFAOYSA-M,,,,,,,,,,,
100.018.599,220-458-7,2769-64-4,N-butyl isocyanide,1-isocyanobutane,CCCC[N+]#[C-],CCCC[N+]#[C-],"InChI=1/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3",C5H9N,,,,,,FSBLVBBRXSCOKU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.603,220-462-9,2770-66-3,"7-(3-chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","7-(3-chloropropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCCCl)c2C1=O,CN1C(=O)N(C)c2ncn(CCCCl)c2C1=O,"InChI=1/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3",C10H13ClN4O2,,,,,,MORVOYPJRATMRS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.607,220-467-6,2773-50-4,"2,6-bis(tert-butyl)-4-(4-morpholinylmethyl)phenol","2,6-di-tert-butyl-4-(morpholin-4-ylmethyl)phenol",CC(C)(C)c1cc(CN2CCOCC2)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CN2CCOCC2)cc(c1O)C(C)(C)C,"InChI=1/C19H31NO2/c1-18(2,3)15-11-14(13-20-7-9-22-10-8-20)12-16(17(15)21)19(4,5)6/h11-12,21H,7-10,13H2,1-6H3",C19H31NO2,,,,,,KWGUJRCPGGSTKB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.608,220-468-1,2773-92-4,2-[(3-butyl-1-isoquinolyl)oxy]ethyl(dimethyl)ammonium chloride,"2-[(3-butylisoquinolin-1-yl)oxy]-N,N-dimethylethanaminium chloride",[Cl-].CCCCc1cc2ccccc2c(OCC[NH+](C)C)n1,[Cl-].CCCCc1cc2ccccc2c(OCC[NH+](C)C)n1,"InChI=1/C17H24N2O.ClH/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;/h6-8,10,13H,4-5,9,11-12H2,1-3H3;1H",C17H24N2O.ClH,,,,,,SEYCAKMZVYADRS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.615,220-476-5,2778-96-3,Octadecyl stearate,octadecyl stearate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",C36H72O2,,,,,,NKBWPOSQERPBFI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.616,220-477-0,2779-81-9,"3,6-dichloropyridazin-4-ol","3,6-dichloropyridazin-4-ol",Oc1cc(Cl)nnc1Cl,Oc1cc(Cl)nnc1Cl,"InChI=1/C4H2Cl2N2O/c5-3-1-2(9)4(6)8-7-3/h1H,(H,7,9)",C4H2Cl2N2O,,,,,,UZRZWRDICWBWBA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.618,220-479-1,2781-00-2,"Di-tert-butyl a,a,a',a'-tetramethyl-(p-phenylenedimethylene) diperoxide","1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene",CC(C)(C)OOC(C)(C)c1ccc(cc1)C(C)(C)OOC(C)(C)C,CC(C)(C)OOC(C)(C)c1ccc(cc1)C(C)(C)OOC(C)(C)C,"InChI=1/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3",C20H34O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11985,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.618,GWQOYRSARAWVTC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.619,220-480-7,1/09/2781,"Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate","octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecan-1-oate",CCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCC,"InChI=1/2C10H20O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-12-10(11)9-13;2*1-3-4-2;/h2*13H,2-9H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4S2Sn/c1-5-9-13-15-17-19-21-31-27(29)25-33-35(23-11-7-3,24-12-8-4)34-26-28(30)32-22-20-18-16-14-10-6-2/h5-26H2,1-4H3",C28H56O4S2Sn,,,,,,DXOBKWDLTMLJLX-UHFFFAOYSA-L,,,,,,,,,,,
100.018.623,220-484-9,2/07/2782,"D-galactono-1,4-lactone","5-(1,2-dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one (non-preferred name)",OCC(O)C1OC(=O)C(O)C1O,OCC(O)C1OC(=O)C(O)C1O,"InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2",C6H10O6,,,,,,SXZYCXMUPBBULW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.683,249-167-3,28706-19-6,"Trisodium 3-[[4-[[[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]-o-tolyl]azo]naphthalene-1,5-disulphonate","trisodium 3-({4-[({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].COc4cc(ccc4NC(=O)Nc3ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c3)N=Nc5cccc(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc4cc(ccc4NC(=O)Nc3ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c3)N=Nc5cccc(c5)S([O-])(=O)=O,"InChI=1/C31H26N6O11S3.3Na/c1-18-13-19(9-11-26(18)37-36-22-15-25-24(30(17-22)51(45,46)47)7-4-8-29(25)50(42,43)44)32-31(38)33-27-12-10-21(16-28(27)48-2)35-34-20-5-3-6-23(14-20)49(39,40)41;;;/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C31H26N6O11S3.3Na,,,,,,ANYFCNHZKDSDER-UHFFFAOYSA-K,,,,,,,,,,,
100.044.686,249-171-5,28706-25-4,"Tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate]",tetrasodium 4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(6-sulfonato-2-naphthyl)diazenyl]-2-naphthyl}carbamoyl)amino]-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc8c(c5)cc(c(N=Nc6cc7ccc(cc7cc6)S([O-])(=O)=O)c8O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc8c(c5)cc(c(N=Nc6cc7ccc(cc7cc6)S([O-])(=O)=O)c8O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C41H28N6O15S4.4Na/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C41H28N6O15S4.4Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13718,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.686,VDOGYBKHFWFTCJ-UHFFFAOYSA-J,,,,,,,,,,,
100.044.693,249-178-3,28711-15-1,"Disodium 2,2'-(methylimino)bisethanesulphonate","disodium 2,2'-(methylimino)diethanesulfonate",[Na+].[Na+].CN(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-],[Na+].[Na+].CN(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-],"InChI=1/C5H13NO6S2.2Na/c1-6(2-4-13(7,8)9)3-5-14(10,11)12;;/h2-5H2,1H3,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2",C5H13NO6S2.2Na,,,,,,YZOMTZDAUSYBGD-UHFFFAOYSA-L,,,,,,,,,,,
100.022.389,224-627-6,4430-70-0,"N,N'-(9,10-dihydro-9,10-dioxoanthracene-1,4-diyl)bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide]","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide)",Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)Nc4ccc(NC(=O)c5ccc6C(=O)c7ccccc7C(=O)c6c5N)c8C(=O)c9ccccc9C(=O)c48,Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)Nc4ccc(NC(=O)c5ccc6C(=O)c7ccccc7C(=O)c6c5N)c8C(=O)c9ccccc9C(=O)c48,"InChI=1/C44H24N4O8/c45-35-27(15-13-25-31(35)39(51)21-9-3-1-7-19(21)37(25)49)43(55)47-29-17-18-30(34-33(29)41(53)23-11-5-6-12-24(23)42(34)54)48-44(56)28-16-14-26-32(36(28)46)40(52)22-10-4-2-8-20(22)38(26)50/h1-18H,45-46H2,(H,47,55)(H,48,56)",C44H24N4O8,,,,,,NXJYCYCMVZPFCC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.391,224-629-7,4431-24-7,Ethylenebis(diphenylarsine),"ethane-1,2-diylbis(diphenylarsine)",C(C[As](c1ccccc1)c2ccccc2)[As](c3ccccc3)c4ccccc4,C(C[As](c1ccccc1)c2ccccc2)[As](c3ccccc3)c4ccccc4,"InChI=1/C26H24As2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2",C26H24As2,,,,,,PZEXNMSXAVGEAP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.392,224-630-2,4431-68-9,3-amino-N-(phenylsulphonyl)benzenesulphonamide,3-amino-N-(phenylsulfonyl)benzenesulfonamide,Nc1cccc(c1)S(=O)(=O)NS(=O)(=O)c2ccccc2,Nc1cccc(c1)S(=O)(=O)NS(=O)(=O)c2ccccc2,"InChI=1/C12H12N2O4S2/c13-10-5-4-8-12(9-10)20(17,18)14-19(15,16)11-6-2-1-3-7-11/h1-9,14H,13H2",C12H12N2O4S2,,,,,,QRRXGUYBWCPMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.398,224-637-0,4433-78-7,N-[4-(acetylamino)phenyl]-3-oxobutyramide,N-(4-acetamidophenyl)-3-oxobutanamide,CC(=O)CC(=O)Nc1ccc(NC(=O)C)cc1,CC(=O)CC(=O)Nc1ccc(NC(=O)C)cc1,"InChI=1/C12H14N2O3/c1-8(15)7-12(17)14-11-5-3-10(4-6-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17)",C12H14N2O3,,,,,,PNVSDRLLBNUJBE-UHFFFAOYSA-N,,,,,,,,,,,
100.022.402,224-641-2,4434-66-6,1-bromononadecane,1-bromononadecane,CCCCCCCCCCCCCCCCCCCBr,CCCCCCCCCCCCCCCCCCCBr,"InChI=1/C19H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3",C19H39Br,,,,,,GWESGLGUMMNXDU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.421,224-662-7,7/12/4441,Trimorpholinophosphine oxide,"4,4',4''-phosphoryltrimorpholine",O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3,O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3,"InChI=1/C12H24N3O4P/c16-20(13-1-7-17-8-2-13,14-3-9-18-10-4-14)15-5-11-19-12-6-15/h1-12H2",C12H24N3O4P,,,,,,WXMQHPKQCPCDQO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.422,224-663-2,4441-17-2,"1,1',1''-phosphinoylidynetripiperidine","1,1',1''-phosphoryltripiperidine",O=P(N1CCCCC1)(N2CCCCC2)N3CCCCC3,O=P(N1CCCCC1)(N2CCCCC2)N3CCCCC3,"InChI=1/C15H30N3OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H2",C15H30N3OP,,,,,,CPKHPYQIXCUKQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.424,224-665-3,4441-63-8,4-cyclohexylbutyric acid,4-cyclohexylbutanoic acid,OC(=O)CCCC1CCCCC1,OC(=O)CCCC1CCCCC1,"InChI=1/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)",C10H18O2,,,,,,UVZMNGNFERVGRC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.426,224-667-4,4442-17-5,"(5ß)-12,ß,14-dihydroxy-3-oxocard-20(22)-enolide","12,14-dihydroxy-3-oxocard-20(22)-enolide",CC12CCC(=O)CC1CCC3C2CC(O)C4(C)C(CCC34O)C5=CC(=O)OC5,CC12CCC(=O)CC1CCC3C2CC(O)C4(C)C(CCC34O)C5=CC(=O)OC5,"InChI=1/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14,16-19,25,27H,3-8,10-12H2,1-2H3",C23H32O5,,,,,,POWMMMXVDBMFMP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.427,224-669-5,4442-41-5,"1,1'-[methylenebis(oxy)]bisbenzene","1,1'-[methylenebis(oxy)]dibenzene",C(Oc1ccccc1)Oc2ccccc2,C(Oc1ccccc1)Oc2ccccc2,"InChI=1/C13H12O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2",C13H12O2,,,,,,VTXLTXPNXYLCQD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.805,223-985-0,4152-90-3,3-chlorobenzylamine,1-(3-chlorophenyl)methanamine,NCc1cccc(Cl)c1,NCc1cccc(Cl)c1,"InChI=1/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2",C7H8ClN,,,,,,BJFPYGGTDAYECS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.806,223-986-6,4154-53-4,Hydroxy-µ-oxotris(2-oxobornane-3-carboxylato)dibismuth,"3,3',3''-[(1-hydroxydibismoxane-1,3,3-triyl)tris(oxycarbonyl)]tris(1,7,7-trimethylbicyclo[2.2.1]heptan-2-one)",CC1(C)C2CCC1(C)C(=O)C2C(=O)O[Bi](O)O[Bi](OC(=O)C3C4CCC(C)(C3=O)C4(C)C)OC(=O)C5C6CCC(C)(C5=O)C6(C)C,CC1(C)C2CCC1(C)C(=O)C2C(=O)O[Bi](O)O[Bi](OC(=O)C3C4CCC(C)(C3=O)C4(C)C)OC(=O)C5C6CCC(C)(C5=O)C6(C)C,"InChI=1/3C11H16O3.2Bi.H2O.O/c3*1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14;;;;/h3*6-7H,4-5H2,1-3H3,(H,13,14);;;1H2;/q;;;2*+2;;/p-4/rC33H46Bi2O11/c1-28(2)16-10-13-31(28,7)22(36)19(16)25(39)43-34(42)46-35(44-26(40)20-17-11-14-32(8,23(20)37)29(17,3)4)45-27(41)21-18-12-15-33(9,24(21)38)30(18,5)6/h16-21,42H,10-15H2,1-9H3",C33H46Bi2O11,,,,,,RFUOEEHKHNHYHG-UHFFFAOYSA-J,,,,,,,,,,,
100.021.826,224-008-0,4163-60-4,ß-D-galactose pentaacetate,"1,2,3,4,6-penta-O-acetyl-beta-D-galactopyranose",O=C(C)O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,O=C(C)O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,"InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3",C16H22O11,,,,,,LPTITAGPBXDDGR-LYYZXLFJSA-N,,,,,,,,,,,
100.021.827,224-009-6,4163-78-4,"Methyl 2,4,5-trichlorophenyl sulphide","1,2,4-trichloro-5-(methylsulfanyl)benzene",CSc1cc(Cl)c(Cl)cc1Cl,CSc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C7H5Cl3S/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3",C7H5Cl3S,,,,,,RWDHTEMSFGMSDP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.830,224-012-2,4165-02-0,2-nonyldecanedioic acid,2-nonyldecanedioic acid,CCCCCCCCCC(CCCCCCCC(=O)O)C(=O)O,CCCCCCCCCC(CCCCCCCC(=O)O)C(=O)O,"InChI=1/C19H36O4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)(H,22,23)",C19H36O4,,,,,,WDHJMKYIJWJQLY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.834,224-016-4,4165-96-2,3-phenylglutaric acid,3-phenylpentanedioic acid,OC(=O)CC(CC(=O)O)c1ccccc1,OC(=O)CC(CC(=O)O)c1ccccc1,"InChI=1/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)",C11H12O4,,,,,,RZOKZOYSUCSPDF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.841,224-024-8,4167-77-5,"Diethyl 1,1-cyclopentanedicarboxylate","diethyl cyclopentane-1,1-dicarboxylate",CCOC(=O)C1(CCCC1)C(=O)OCC,CCOC(=O)C1(CCCC1)C(=O)OCC,"InChI=1/C11H18O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h3-8H2,1-2H3",C11H18O4,,,,,,NAKRHRXBVSLQAO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.842,224-025-3,4168-73-4,Trihexylphosphine,trihexylphosphine,CCCCCCP(CCCCCC)CCCCCC,CCCCCCP(CCCCCC)CCCCCC,"InChI=1/C18H39P/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",C18H39P,,,,,,FPZZZGJWXOHLDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.547,222-601-9,3548-91-2,Bis(2-phenylcyclopropylammonium) sulphate,bis(2-phenylcyclopropanaminium) sulfate,[NH3+]C1CC1c2ccccc2.[NH3+]C3CC3c4ccccc4.[O-]S(=O)(=O)[O-],[NH3+]C1CC1c2ccccc2.[NH3+]C3CC3c4ccccc4.[O-]S(=O)(=O)[O-],"InChI=1/2C9H11N.H2O4S/c2*10-9-6-8(9)7-4-2-1-3-5-7;1-5(2,3)4/h2*1-5,8-9H,6,10H2;(H2,1,2,3,4)",C9H11N.1/2H2O4S,,,,,,BKPRVQDIOGQWTG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.548,222-602-4,3549-23-3,Methyl 4-tert-butylphenylacetate,methyl (4-tert-butylphenyl)acetate,COC(=O)Cc1ccc(cc1)C(C)(C)C,COC(=O)Cc1ccc(cc1)C(C)(C)C,"InChI=1/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3",C13H18O2,,,,,,HXVTYMWVMVKVTF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.549,222-604-5,3549-51-7,"Potassium O,O-dibutyl dithiophosphate","potassium O,O-dibutyl dithiophosphate",[K+].CCCCOP(=S)([S-])OCCCC,[K+].CCCCOP(=S)([S-])OCCCC,"InChI=1/C8H19O2PS2.K/c1-3-5-7-9-11(12,13)10-8-6-4-2;/h3-8H2,1-2H3,(H,12,13);/q;+1/p-1",C8H19O2PS2.K,,,,,,LUGNQPINIMSPRT-UHFFFAOYSA-M,,,,,,,,,,,
100.020.551,222-606-6,3/12/3552,Ethyl 11-cyclopent-2-enylundecanoate,ethyl 11-cyclopent-2-en-1-ylundecanoate,CCOC(=O)CCCCCCCCCCC1CCC=C1,CCOC(=O)CCCCCCCCCCC1CCC=C1,"InChI=1/C18H32O2/c1-2-20-18(19)16-10-8-6-4-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,2-10,12-13,15-16H2,1H3",C18H32O2,,,,,,IXHZJQBOONNARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.558,222-613-4,3555-47-3,"1,1,5,5,5-hexamethyl-3,3-bis[(trimethylsilyl)oxy]trisiloxane",tetrakis(trimethylsilyl) orthosilicate,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C12H36O4Si5/c1-17(2,3)13-21(14-18(4,5)6,15-19(7,8)9)16-20(10,11)12/h1-12H3",C12H36O4Si5,,,,,,VNRWTCZXQWOWIG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.560,222-616-0,3555-94-0,Vinyl isocyanate,isocyanatoethene,C=CN=C=O,C=CN=C=O,"InChI=1/C3H3NO/c1-2-4-3-5/h2H,1H2",C3H3NO,,,,,,WARQUFORVQESFF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.561,222-617-6,3556-56-7,4-nitrophenyl N-[(benzyloxy)carbonyl]-L-tyrosinate,4-nitrophenyl N-[(benzyloxy)carbonyl]-L-tyrosinate,Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)Oc3ccc(cc3)[N+](=O)[O-])cc1,Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)Oc3ccc(cc3)[N+](=O)[O-])cc1,"InChI=1/C23H20N2O7/c26-19-10-6-16(7-11-19)14-21(24-23(28)31-15-17-4-2-1-3-5-17)22(27)32-20-12-8-18(9-13-20)25(29)30/h1-13,21,26H,14-15H2,(H,24,28)",C23H20N2O7,,,,,,WUHIFOXZYIQZFP-NRFANRHFSA-N,,,,,,,,,,,
100.043.928,248-336-9,27215-25-4,"N-[3-(isooctyloxy)propyl]propane-1,3-diamine","N-{3-[(6-methylheptyl)oxy]propyl}propane-1,3-diamine",CC(C)CCCCCOCCCNCCCN,CC(C)CCCCCOCCCNCCCN,"InChI=1/C14H32N2O/c1-14(2)8-4-3-5-12-17-13-7-11-16-10-6-9-15/h14,16H,3-13,15H2,1-2H3",C14H32N2O,,,,,,HEVQBLROGBPURW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.932,248-341-6,27220-47-9,Econazole,"1-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole",Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,"InChI=1/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2",C18H15Cl3N2O,,,,,,LEZWWPYKPKIXLL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.934,248-343-7,27220-59-3,"8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl butyrate","8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl butyrate (non-preferred name)",CCCCC1C(OC(=O)CCC)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O,CCCCC1C(OC(=O)CCC)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O,"InChI=1/C25H34N2O9/c1-5-7-10-17-22(36-19(29)9-6-2)15(4)35-25(33)20(14(3)34-24(17)32)27-23(31)16-11-8-12-18(21(16)30)26-13-28/h8,11-15,17,20,22,30H,5-7,9-10H2,1-4H3,(H,26,28)(H,27,31)",C25H34N2O9,,,,,,GYANSQKXOLFAFP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.942,248-352-6,27236-35-7,4-(oxoundecen-1-yl)morpholine,1-morpholin-4-ylundec-1-en-3-one,CCCCCCCCC(=O)C=CN1CCOCC1,CCCCCCCCC(=O)C=CN1CCOCC1,"InChI=1/C15H27NO2/c1-2-3-4-5-6-7-8-15(17)9-10-16-11-13-18-14-12-16/h9-10H,2-8,11-14H2,1H3",C15H27NO2,,,,,,DVSMNBSDFMYNJH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.943,248-353-1,27236-46-0,2-methylpentene,2-methylpent-1-ene,CCCC(=C)C,CCCC(=C)C,"InChI=1/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3",C6H12,,,,,,WWUVJRULCWHUSA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.944,248-354-7,27236-51-7,Sodium hexadecenyl sulphate,sodium hexadec-1-en-1-yl sulfate,[Na+].[O-]S(=O)(=O)OC=CCCCCCCCCCCCCCC,[Na+].[O-]S(=O)(=O)OC=CCCCCCCCCCCCCCC,"InChI=1/C16H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h15-16H,2-14H2,1H3,(H,17,18,19);/q;+1/p-1",C16H32O4S.Na,,,,,,MATKDLDRCBUYET-UHFFFAOYSA-M,,,,,,,,,,,
100.045.100,249-625-2,29430-39-5,m-tolyl chloroformate,3-methylphenyl chlorocarbonate,Cc1cccc(OC(=O)Cl)c1,Cc1cccc(OC(=O)Cl)c1,"InChI=1/C8H7ClO2/c1-6-3-2-4-7(5-6)11-8(9)10/h2-5H,1H3",C8H7ClO2,,,,,,JXYLZACPFSDBPR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.112,249-638-3,29454-06-6,Sodium 2-sulphoethyl decanoate,-,[Na+].CCCCCCCCCC(=O)OCCS(=O)(=O)O,[Na+].CCCCCCCCCC(=O)OCCS(=O)(=O)O,"InChI=1/C12H24O5S.Na/c1-2-3-4-5-6-7-8-9-12(13)17-10-11-18(14,15)16;/h2-11H2,1H3,(H,14,15,16);/q;+1",C12H24O5S.Na,,,,,,BUGBPNOGBVBQSY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.121,249-648-8,29461-13-0,"(2a,4aa,8ß)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one","1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one",CC1(C)[C@H]2CC[C@]3(C2)C1C(=O)CCC3(C)C,CC1(C)[C@H]2CC[C@]3(C2)C1C(=O)CCC3(C)C,"InChI=1/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3",C15H24O,,,,,,VCOCESNMLNDPLX-BTXGZQJSSA-N,,,,,,,,,,,
100.045.123,249-650-9,29462-73-5,Sodium 1-tetradecyl sulphonatoacetate,sodium 2-oxo-2-(tetradecyloxy)ethanesulfonate,[Na+].CCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-],"InChI=1/C16H32O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16(17)15-22(18,19)20;/h2-15H2,1H3,(H,18,19,20);/q;+1/p-1",C16H32O5S.Na,,,,,,IIJXVXYJSCOOAR-UHFFFAOYSA-M,,,,,,,,,,,
100.045.124,249-651-4,29462-74-6,Sodium 1-hexadecyl sulphonatoacetate,sodium 2-(hexadecyloxy)-2-oxoethanesulfonate,[Na+].CCCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-],"InChI=1/C18H36O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18(19)17-24(20,21)22;/h2-17H2,1H3,(H,20,21,22);/q;+1/p-1",C18H36O5S.Na,,,,,,YSDHJRVISXLHKX-UHFFFAOYSA-M,,,,,,,,,,,
100.040.629,244-707-4,22002-85-3,2-hydroxy-3-(phosphonooxy)propyl palmitate,2-hydroxy-3-(phosphonooxy)propyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O,"InChI=1/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)",C19H39O7P,,,,,,YNDYKPRNFWPPFU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.639,244-718-4,22013-33-8,"1,4-benzodioxan-6-ylamine","2,3-dihydro-1,4-benzodioxin-6-amine",Nc1ccc2OCCOc2c1,Nc1ccc2OCCOc2c1,"InChI=1/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2",C8H9NO2,,,,,,BZKOZYWGZKRTIB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.603,246-879-6,25346-33-2,1-bromo-2-methylpentane,1-bromo-2-methylpentane,CCCC(C)CBr,CCCC(C)CBr,"InChI=1/C6H13Br/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3",C6H13Br,,,,,,GSYMWZIKZUHBKV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.604,246-880-1,25351-57-9,"N,N'-bis(3-phenylallylidene)propane-1,3-diamine","N,N'-bis(3-phenylprop-2-en-1-ylidene)propane-1,3-diamine",C(CN=CC=Cc1ccccc1)CN=CC=Cc2ccccc2,C(CN=CC=Cc1ccccc1)CN=CC=Cc2ccccc2,"InChI=1/C21H22N2/c1-3-10-20(11-4-1)14-7-16-22-18-9-19-23-17-8-15-21-12-5-2-6-13-21/h1-8,10-17H,9,18-19H2",C21H22N2,,,,,,HDFJFEQZDSFGBX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.607,246-883-8,25354-92-1,2-methylpentadecanoic acid,2-methylpentadecanoic acid,CCCCCCCCCCCCCC(C)C(=O)O,CCCCCCCCCCCCCC(C)C(=O)O,"InChI=1/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18/h15H,3-14H2,1-2H3,(H,17,18)",C16H32O2,,,,,,XEFOHUNTIRSZAC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.130,218-841-9,2250-98-8,"N,N',N''-[phosphinylidynetris(oxyethane-2,1-diyl)]tris[N-ethylheptadecafluorooctane-1-sulphonamide]",tris(2-{ethyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl) phosphate,CCN(CCOP(=O)(OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C36H27F51N3O10PS3/c1-4-88(102(92,93)34(82,83)28(67,68)22(55,56)16(43,44)13(37,38)19(49,50)25(61,62)31(73,74)75)7-10-98-101(91,99-11-8-89(5-2)103(94,95)35(84,85)29(69,70)23(57,58)17(45,46)14(39,40)20(51,52)26(63,64)32(76,77)78)100-12-9-90(6-3)104(96,97)36(86,87)30(71,72)24(59,60)18(47,48)15(41,42)21(53,54)27(65,66)33(79,80)81/h4-12H2,1-3H3",C36H27F51N3O10PS3,,,,,,IIDCKPVDJNZQHD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.134,218-846-6,2252-63-3,1-(4'-fluorophenyl)piperazine,1-(4-fluorophenyl)piperazine,Fc1ccc(cc1)N2CCNCC2,Fc1ccc(cc1)N2CCNCC2,"InChI=1/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2",C10H13FN2,,,,,,AVJKDKWRVSSJPK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.135,218-847-1,2253-43-2,"O,O-dipropyl hydrogen dithiophosphate","O,O-dipropyl hydrogen dithiophosphate",CCCOP(=S)(S)OCCC,CCCOP(=S)(S)OCCC,"InChI=1/C6H15O2PS2/c1-3-5-7-9(10,11)8-6-4-2/h3-6H2,1-2H3,(H,10,11)",C6H15O2PS2,,,,,,ZUNFAOLVHKUWCL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.136,218-848-7,2253-44-3,"O,O-dibutyl hydrogen dithiophosphate","O,O-dibutyl hydrogen dithiophosphate",CCCCOP(=S)(S)OCCCC,CCCCOP(=S)(S)OCCCC,"InChI=1/C8H19O2PS2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h3-8H2,1-2H3,(H,12,13)",C8H19O2PS2,,,,,,XPRULOZMJZDZEF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.149,218-862-3,2260-50-6,(2-acetoxyethyl)trimethylammonium iodide,"2-acetoxy-N,N,N-trimethylethanaminium iodide",[I-].CC(=O)OCC[N+](C)(C)C,[I-].CC(=O)OCC[N+](C)(C)C,"InChI=1/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",C7H16NO2.I,,,,,,SMBBQHHYSLHDHF-UHFFFAOYSA-M,,,,,,,,,,,
100.017.151,218-864-4,4/09/2263,N-butylheptadecafluoro-N-(2-hydroxyethyl)octanesulphonamide,"N,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(2-hydroxyethyl)dodecane-5-sulfonamide",CCCCC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)N(F)CCO,CCCCC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)N(F)CCO,"InChI=1/C14H14F17NO3S/c1-2-3-4-7(15,36(34,35)32(31)5-6-33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30/h33H,2-6H2,1H3",C14H14F17NO3S,,,,,,ZFUCUZACOHLUFM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.153,218-867-0,2265-94-3,"1,3-difluoro-5-nitrobenzene","1,3-difluoro-5-nitrobenzene",[O-][N+](=O)c1cc(F)cc(F)c1,[O-][N+](=O)c1cc(F)cc(F)c1,InChI=1/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,C6H3F2NO2,,,,,,AUQBBDWDLJSKMI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.154,218-868-6,2268-46-4,"1,1,1,3-tetrachlorotetrafluoropropane","1,1,1,3-tetrachloro-2,2,3,3-tetrafluoropropane",FC(F)(Cl)C(F)(F)C(Cl)(Cl)Cl,FC(F)(Cl)C(F)(F)C(Cl)(Cl)Cl,"InChI=1/C3Cl4F4/c4-2(5,6)1(8,9)3(7,10)11",C3Cl4F4,,,,,,IQJADVFBZGJGSI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.175,218-891-1,2/07/2275,6-chloro-3-(hydroxymethyl)benzoxazol-2(3H)-one,"6-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2(3H)-one",OCN1C(=O)Oc2cc(Cl)ccc12,OCN1C(=O)Oc2cc(Cl)ccc12,"InChI=1/C8H6ClNO3/c9-5-1-2-6-7(3-5)13-8(12)10(6)4-11/h1-3,11H,4H2",C8H6ClNO3,,,,,,PYDBIEBVVJRJRV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.844,224-027-4,4/04/4169,2-phenoxypropanol,2-phenoxypropan-1-ol,CC(CO)Oc1ccccc1,CC(CO)Oc1ccccc1,"InChI=1/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",C9H12O2,,,,,,LOJHHQNEBFCTQK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.846,224-030-0,4170-30-3,Crotonaldehyde,but-2-enal,C\\C=C\\C=O,C\C=C\C=O,"InChI=1/C4H6O/c1-2-3-4-5/h2-4H,1H3",C4H6O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6463,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.846,MLUCVPSAIODCQM-NSCUHMNNSA-N,,,,,,,,,,,
100.021.851,224-035-8,4172-97-8,2-ethyl-2-methylsuccinonitrile,2-ethyl-2-methylsuccinonitrile,CCC(C)(CC#N)C#N,CCC(C)(CC#N)C#N,"InChI=1/C7H10N2/c1-3-7(2,6-9)4-5-8/h3-4H2,1-2H3",C7H10N2,,,,,,DJZGLUQLFIHGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.853,224-037-9,8/09/4174,"2,4-dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",Oc3n(nc(C)c3C=C2C(\\C)=N/N(c1ccccc1)C2=O)c4ccccc4,Oc3n(nc(C)c3C=C2C(\C)=N/N(c1ccccc1)C2=O)c4ccccc4,"InChI=1/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,26H,1-2H3",C21H18N4O2,,,,,,PHCPNSHHXUOXSD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.859,224-044-7,4176-55-0,"1,3,2-dioxathiane 2-oxide","1,3,2-dioxathiane 2-oxide",O=S1OCCCO1,O=S1OCCCO1,InChI=1/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3H2,C3H6O3S,,,,,,LOURZMYQPMDBSR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.862,224-047-3,4178-93-2,(S)-2-amino-4-methyl-N-(4-nitrophenyl)valeramide,N-(4-nitrophenyl)-L-leucinamide,CC(C)C[C@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-],CC(C)C[C@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)",C12H17N3O3,,,,,,AXZJHDNQDSVIDR-NSHDSACASA-N,,,,,,,,,,,
100.021.863,224-048-9,4179-19-5,"3,5-dimethoxytoluene","1,3-dimethoxy-5-methylbenzene",COc1cc(C)cc(OC)c1,COc1cc(C)cc(OC)c1,"InChI=1/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3",C9H12O2,,,,,,RIZBLVRXRWHLFA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.759,218-434-6,2150-58-5,"4-[[4-(dimethylamino)phenyl]imino]cyclohexa-2,5-dien-1-one","4-{[4-(dimethylamino)phenyl]imino}cyclohexa-2,5-dien-1-one",O=C/2/C=C\\C(=N\\c1ccc(cc1)N(C)C)\\C=C\\2,O=C/2/C=C\C(=N\c1ccc(cc1)N(C)C)\C=C\2,"InChI=1/C14H14N2O/c1-16(2)13-7-3-11(4-8-13)15-12-5-9-14(17)10-6-12/h3-10H,1-2H3",C14H14N2O,,,,,,LHGMHYDJNXEEFG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.429,224-671-6,4442-59-5,"2,3-dihydro-1,4-benzodioxin-2-methylamine","1-(2,3-dihydro-1,4-benzodioxin-2-yl)methanamine",NCC1COc2ccccc2O1,NCC1COc2ccccc2O1,"InChI=1/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2",C9H11NO2,,,,,,JHNURUNMNRSGRO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.431,224-673-7,4442-85-7,2-cyclohexylethylamine,2-cyclohexylethanamine,NCCC1CCCCC1,NCCC1CCCCC1,"InChI=1/C8H17N/c9-7-6-8-4-2-1-3-5-8/h8H,1-7,9H2",C8H17N,,,,,,HFACYWDPMNWMIW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.066,222-071-9,3336-41-2,"3,5-dichloro-4-hydroxybenzoic acid","3,5-dichloro-4-hydroxybenzoic acid",OC(=O)c1cc(Cl)c(O)c(Cl)c1,OC(=O)c1cc(Cl)c(O)c(Cl)c1,"InChI=1/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)",C7H4Cl2O3,,,,,,AULKDLUOQCUNOK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.067,222-072-4,3336-58-1,Ammonium trifluoroacetate,ammonium trifluoroacetate,[NH4+].[O-]C(=O)C(F)(F)F,[NH4+].[O-]C(=O)C(F)(F)F,"InChI=1/C2HF3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3",C2HF3O2.H3N,,,,,,YCNIBOIOWCTRCL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.074,222-080-8,3338-32-7,"tert-butyl (S)-4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxo-3-[[(phenylmethoxy)carbonyl]amino]butyrate","4-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) N-[(benzyloxy)carbonyl]-L-aspartate",CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,"InChI=1/C20H24N2O8/c1-20(2,3)29-17(25)11-14(18(26)30-22-15(23)9-10-16(22)24)21-19(27)28-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,27)",C20H24N2O8,,,,,,JUMSBOKRGDETHL-AWEZNQCLSA-N,,,,,,,,,,,
100.020.101,222-109-4,3350-78-5,3-methyl-2-butenoyl chloride,3-methylbut-2-enoyl chloride,CC(=CC(=O)Cl)C,CC(=CC(=O)Cl)C,"InChI=1/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3",C5H7ClO,,,,,,BDUBTLFQHNYXPC-UHFFFAOYSA-N,,,,,,,,,,,
100.019.008,220-908-2,2935-23-1,"cis-(±)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid",CC(=CC1C(C(=O)O)C1(C)C)C,CC(=CC1C(C(=O)O)C1(C)C)C,"InChI=1/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)",C10H16O2,,,,,,XLOPRKKSAJMMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.010,220-910-3,2935-44-6,"Hexane-2,5-diol","hexane-2,5-diol",CC(O)CCC(C)O,CC(O)CCC(C)O,"InChI=1/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3",C6H14O2,,,,,,OHMBHFSEKCCCBW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.013,220-914-5,5/08/2936,2-propylvaleryl chloride,2-propylpentanoyl chloride,CCCC(CCC)C(=O)Cl,CCCC(CCC)C(=O)Cl,"InChI=1/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3",C8H15ClO,,,,,,PITHYUDHKJKJNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.014,220-915-0,2936-55-2,Cyclohexyl o-tolyl ketone,cyclohexyl(2-methylphenyl)methanone,Cc1ccccc1C(=O)C2CCCCC2,Cc1ccccc1C(=O)C2CCCCC2,"InChI=1/C14H18O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3",C14H18O,,,,,,GUBCZWWDAXYIJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.016,220-917-1,2937-53-3,S-(2-aminoethyl) hydrogen thiosulphate,S-(2-aminoethyl) hydrogen thiosulfate,NCCSS(=O)(=O)O,NCCSS(=O)(=O)O,"InChI=1/C2H7NO3S2/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)",C2H7NO3S2,,,,,,MXTPRJXPLFGHEE-UHFFFAOYSA-N,,,,,,,,,,,
100.019.024,220-926-0,2939-66-4,"10,11-dihydro-5-[3-(methylamino)propyl]-5H-dibenzo[a,d]cyclohepten-5-ol","5-[3-(methylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol",CNCCCC1(O)c2ccccc2CCc3ccccc13,CNCCCC1(O)c2ccccc2CCc3ccccc13,"InChI=1/C19H23NO/c1-20-14-6-13-19(21)17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)19/h2-5,7-10,20-21H,6,11-14H2,1H3",C19H23NO,,,,,,VGYXEZXCFKVWAP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.026,220-928-1,2941-64-2,Ethyl chlorothiolformate,S-ethyl chlorothiocarbonate,CCSC(=O)Cl,CCSC(=O)Cl,"InChI=1/C3H5ClOS/c1-2-6-3(4)5/h2H2,1H3",C3H5ClOS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12266,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.026,QCMHWZUFWLOOGI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.040,220-943-3,9/12/2944,"1,4-bis(phenylamino)anthraquinone","1,4-dianilino-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Nc4ccccc4)ccc(Nc5ccccc5)c13,O=C1c2ccccc2C(=O)c3c(Nc4ccccc4)ccc(Nc5ccccc5)c13,"InChI=1/C26H18N2O2/c29-25-19-13-7-8-14-20(19)26(30)24-22(28-18-11-5-2-6-12-18)16-15-21(23(24)25)27-17-9-3-1-4-10-17/h1-16,27-28H",C26H18N2O2,,,,,,YXMPVZQSOHSEJA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.049,220-953-8,2944-68-5,Diiron tritartrate,diiron tritartrate,[Fe+3].[Fe+3].OC(C(O)C([O-])=O)C([O-])=O.OC(C(O)C([O-])=O)C([O-])=O.OC(C(O)C([O-])=O)C([O-])=O,[Fe+3].[Fe+3].OC(C(O)C([O-])=O)C([O-])=O.OC(C(O)C([O-])=O)C([O-])=O.OC(C(O)C([O-])=O)C([O-])=O,"InChI=1/3C4H6O6.2Fe/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;/q;;;2*+3/p-6",C4H6O6.2/3Fe,,,,,,SFOKDWPZOYRZFF-UHFFFAOYSA-H,,,,,,,,,,,
100.019.054,220-959-0,2946-39-6,8-bromoadenosine,8-bromoadenosine,Nc1ncnc2c1nc(Br)n2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,Nc1ncnc2c1nc(Br)n2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,"InChI=1/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)",C10H12BrN5O4,,,,,,VJUPMOPLUQHMLE-UUOKFMHZSA-N,,,,,,,,,,,
100.020.567,222-623-9,3561-48-6,N-[N-[(phenylmethoxy)carbonyl]glycyl]-L-methionine,N-[(benzyloxy)carbonyl]glycyl-L-methionine,CSCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O,CSCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C15H20N2O5S/c1-23-8-7-12(14(19)20)17-13(18)9-16-15(21)22-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)",C15H20N2O5S,,,,,,JXQGLWUIDPXMHD-LBPRGKRZSA-N,,,,,,,,,,,
100.020.570,222-627-0,3562-55-8,Piprocurarium iodide,1-[2-(2-{2-[diethyl(methyl)ammonio]ethoxy}ethoxy)-2-oxo-1-phenylethyl]-1-methylpiperidinium diiodide,[I-].[I-].CC[N+](C)(CC)CCOCCOC(=O)C(c1ccccc1)[N+]2(C)CCCCC2,[I-].[I-].CC[N+](C)(CC)CCOCCOC(=O)C(c1ccccc1)[N+]2(C)CCCCC2,"InChI=1/C23H40N2O3.2HI/c1-5-24(3,6-2)17-18-27-19-20-28-23(26)22(21-13-9-7-10-14-21)25(4)15-11-8-12-16-25;;/h7,9-10,13-14,22H,5-6,8,11-12,15-20H2,1-4H3;2*1H/q+2;;/p-2",C23H40N2O3.2I,,,,,,RFWPUUOBQMRONB-UHFFFAOYSA-L,,,,,,,,,,,
100.020.571,222-628-6,3562-63-8,Megestrol,"6-methyl-3,20-dioxopregna-4,6-dien-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3",C22H30O3,,,,,,RQZAXGRLVPAYTJ-GQFGMJRRSA-N,Positive,SM875001,[M+H]+,HCD35,385.2373:325.2162:267.1743,CASMI_2016,,,,,
100.020.581,222-639-6,3564-14-5,Sodium 3-hydroxy-4-[(1-hydroxy-2-naphthyl)azo]naphthalene-1-sulphonate,sodium 3-hydroxy-4-[(1-hydroxy-2-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccccc34,[Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccccc34,"InChI=1/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1",C20H14N2O5S.Na,,,,,,HOWITLLZNKSJOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.583,222-641-7,3564-18-9,"Trisodium hydrogen 3,3'-(3H-2,1-benzoxathiol-3-ylidene)bis[6-oxido-5-methylbenzoate S,S-dioxide","sodium 2-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate",CC1=CC(=C(c2cc(C)c(O)c(c2)C(=O)O)c3ccccc3S(=O)(=O)O[Na])C=C(C(=O)O)C1=O,CC1=CC(=C(c2cc(C)c(O)c(c2)C(=O)O)c3ccccc3S(=O)(=O)O[Na])C=C(C(=O)O)C1=O,"InChI=1/C23H18O9S.Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);/q;+1/p-1/rC23H17NaO9S/c1-11-7-13(9-16(20(11)25)22(27)28)19(14-8-12(2)21(26)17(10-14)23(29)30)15-5-3-4-6-18(15)34(31,32)33-24/h3-10,25H,1-2H3,(H,27,28)(H,29,30)",C23H18O9S.3Na,,,,,,YWHYSJOAKQSHNO-UHFFFAOYSA-M,,,,,,,,,,,
100.020.590,222-649-0,3564-73-6,"10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide","10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide",NC(=O)N1c2ccccc2CCc3ccccc13,NC(=O)N1c2ccccc2CCc3ccccc13,"InChI=1/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)",C15H14N2O,,,,,,PHNLCHMJDSSPDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.588,220-446-1,2767-84-2,"(1S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione","1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione",CC1(C)C2CC[C@]1(C)C(=O)C2=O,CC1(C)C2CC[C@]1(C)C(=O)C2=O,"InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3",C10H14O2,,,,,,VNQXSTWCDUXYEZ-PHUNFMHTSA-N,,,,,,,,,,,
100.018.589,220-447-7,2767-90-0,4-piperidylpyridine,4-piperidin-1-ylpyridine,C1CCN(CC1)c2ccncc2,C1CCN(CC1)c2ccncc2,"InChI=1/C10H14N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h4-7H,1-3,8-9H2",C10H14N2,,,,,,MTPBUCCXRGSDCR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.598,220-457-1,2768-90-3,Quinaldine blue,1-ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium chloride,[Cl-].CC[n+]3c4ccccc4ccc3C=CC=C2\\C=C/c1ccccc1N2CC,[Cl-].CC[n+]3c4ccccc4ccc3C=CC=C2\C=C/c1ccccc1N2CC,"InChI=1/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",C25H25N2.Cl,,,,,,FVMNARAKYNRZID-UHFFFAOYSA-M,,,,,,,,,,,
100.018.600,220-459-2,2769-71-3,"2,6-xylyl isocyanide","2-isocyanato-1,3-dimethylbenzene",Cc1cccc(C)c1N=C=O,Cc1cccc(C)c1N=C=O,"InChI=1/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3",C9H9N,,,,,,YQLRKXVEALTVCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.604,220-463-4,2770-75-4,"4-amino-1,3,5-triazine-2,6-dithiol","6-amino-1,3,5-triazine-2,4-dithiol",Nc1nc(S)nc(S)n1,Nc1nc(S)nc(S)n1,"InChI=1/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)",C3H4N4S2,,,,,,QQLZTRHXUSFZOM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.609,220-469-7,2777-37-9,Chloro-o-tolylmercury,chloro(2-methylphenyl)mercury,Cc1ccccc1[Hg]Cl,Cc1ccccc1[Hg]Cl,"InChI=1/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1/rC7H7ClHg/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3",C7H7ClHg,,,,,,AFCVKFFKAKDREZ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.617,220-478-6,2779-91-1,"N,N'-bis(3-aminopropyl)butan-1,4-diamine phosphate","N,N'-bis(3-aminopropyl)butane-1,4-diamine phosphate",OP(O)(=O)O.NCCCNCCCCNCCCN,OP(O)(=O)O.NCCCNCCCCNCCCN,"InChI=1/C10H26N4.H3O4P/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;1-5(2,3)4/h13-14H,1-12H2;(H3,1,2,3,4)",C10H26N4.xH3O4P,,,,,,JTUDXELSEBMWLW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.608,246-884-3,25354-93-2,2-ethylmyristic acid,2-ethyltetradecanoic acid,CCCCCCCCCCCCC(CC)C(=O)O,CCCCCCCCCCCCC(CC)C(=O)O,"InChI=1/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)16(17)18/h15H,3-14H2,1-2H3,(H,17,18)",C16H32O2,,,,,,STZGBQSXOHEXRA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.610,246-886-4,25355-20-8,"1,1'-sulphinylbisheptane","1,1'-sulfinyldiheptane",CCCCCCCS(=O)CCCCCCC,CCCCCCCS(=O)CCCCCCC,"InChI=1/C14H30OS/c1-3-5-7-9-11-13-16(15)14-12-10-8-6-4-2/h3-14H2,1-2H3",C14H30OS,,,,,,UVMACQYJONOGQU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.617,246-894-8,25360-07-0,Methyl D-glucoside,methyl hexopyranoside,COC1OC(CO)C(O)C(O)C1O,COC1OC(CO)C(O)C(O)C1O,"InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",C7H14O6,,,,,,HOVAGTYPODGVJG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.261,248-703-3,27870-96-8,Trimethyl-3-[(1-oxooctadecyl)amino]propylammonium dimethyl phosphate,"N,N,N-trimethyl-3-(stearoylamino)propan-1-aminium dimethyl phosphate",CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COP(=O)([O-])OC,CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COP(=O)([O-])OC,"InChI=1/C24H50N2O.C2H7O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-7(3,4)6-2/h5-23H2,1-4H3;1-2H3,(H,3,4)",C24H51N2O.C2H6O4P,,,,,,CHDAPEWXBNJEQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.264,248-707-5,27876-24-0,4-hexylpyridine,4-hexylpyridine,CCCCCCc1ccncc1,CCCCCCc1ccncc1,"InChI=1/C11H17N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h7-10H,2-6H2,1H3",C11H17N,,,,,,YWSGFNIDQLIDGL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.267,248-710-1,27883-12-1,"(6Z,9Z)-N,N-bis(2-hydroxyethyl)octadeca-6,9-dien-1-amide","N,N-bis(2-hydroxyethyl)octadeca-6,9-dienamide",CCCCCCCC\\C=C/C\\C=C/CCCCC(=O)N(CCO)CCO,CCCCCCCC\C=C/C\C=C/CCCCC(=O)N(CCO)CCO,"InChI=1/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,12-13,24-25H,2-8,11,14-21H2,1H3",C22H41NO3,,,,,,XKYJMQUEXANIKY-UTJQPWESSA-N,,,,,,,,,,,
100.040.327,244-376-6,21411-53-0,Virginiamycin M1,"14-hydroxy-3-isopropyl-4,12-dimethyl-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone",CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)\\C=C(/C)\\C=C\\CNC(=O)\\C=C\\[C@H]1C)n3,CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C)n3,"InChI=1/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)",C28H35N3O7,,,,,,DAIKHDNSXMZDCU-FQTGFAPKSA-N,,,,,,,,,,,
100.040.329,244-378-7,21414-53-9,"[1R-(1a,4aß,10aa)]-1,2,3,4,4a,5,6,9,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol","abieta-8,13-dien-18-ol",CC(C)C1=CC2=C(CC1)C3(C)CCCC(C)(CO)C3CC2,CC(C)C1=CC2=C(CC1)C3(C)CCCC(C)(CO)C3CC2,"InChI=1/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14,18,21H,5-11,13H2,1-4H3",C20H32O,,,,,,PMRGRURZTGRVDP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.331,244-380-8,21418-54-2,Ethyl 2-cyano-2-(3-thienyl)acetate,ethyl cyano(3-thienyl)acetate,CCOC(=O)C(C#N)c1ccsc1,CCOC(=O)C(C#N)c1ccsc1,"InChI=1/C9H9NO2S/c1-2-12-9(11)8(5-10)7-3-4-13-6-7/h3-4,6,8H,2H2,1H3",C9H9NO2S,,,,,,BXETXHHTOKRXCR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.337,244-387-6,21434-91-3,Capobenic acid,"6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid",COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)O,COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)O,"InChI=1/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)",C16H23NO6,,,,,,MPTXLVRHYGBOQY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.343,244-393-9,21447-47-2,Isopropyl 3-amino-4-methylbenzoate,isopropyl 3-amino-4-methylbenzoate,CC(C)OC(=O)c1ccc(C)c(N)c1,CC(C)OC(=O)c1ccc(C)c(N)c1,"InChI=1/C11H15NO2/c1-7(2)14-11(13)9-5-4-8(3)10(12)6-9/h4-7H,12H2,1-3H3",C11H15NO2,,,,,,NQIWSFLRVNIRJU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.355,244-406-8,21490-63-1,"trans-2,3-dimethyloxirane","2,3-dimethyloxirane",C[C@H]1O[C@@H]1C,C[C@H]1O[C@@H]1C,"InChI=1/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3",C4H8O,,,,,,PQXKWPLDPFFDJP-QWWZWVQMSA-N,,,,,,,,,,,
100.040.357,244-408-9,21494-64-4,3-butyl-2-thioxothiazolidin-4-one,"3-butyl-2-thioxo-1,3-thiazolidin-4-one",CCCCN1C(=O)CSC1=S,CCCCN1C(=O)CSC1=S,"InChI=1/C7H11NOS2/c1-2-3-4-8-6(9)5-11-7(8)10/h2-5H2,1H3",C7H11NOS2,,,,,,UTUUGODMVOQPEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.359,244-411-5,21505-67-9,4-ethoxy-N-methyl-N-phenylaniline,4-ethoxy-N-methyl-N-phenylaniline,CCOc1ccc(cc1)N(C)c2ccccc2,CCOc1ccc(cc1)N(C)c2ccccc2,"InChI=1/C15H17NO/c1-3-17-15-11-9-14(10-12-15)16(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3",C15H17NO,,,,,,GXTYWFWNCDJBDP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.361,244-413-6,21510-43-0,"2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole","2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole",Brc1ccc(cc1)c2oc(nn2)c3ccccc3,Brc1ccc(cc1)c2oc(nn2)c3ccccc3,InChI=1/C14H9BrN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H,C14H9BrN2O,,,,,,CNLVYZSUMYQALH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.764,218-439-3,2152-44-5,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-valerate","9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3",C27H37FO6,,,,,,SNHRLVCMMWUAJD-SUYDQAKGSA-N,,,,,,,,,,,
100.020.598,222-657-4,3567-69-9,Disodium 4-hydroxy-3-[(4-sulphonatonaphthyl)azo]naphthalenesulphonate,disodium 4-hydroxy-3-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34,"InChI=1/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H14N2O7S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17281,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.598,YSVBPNGJESBVRM-UHFFFAOYSA-L,,,,,,,,,,,
100.020.603,222-663-7,3568-26-1,4-(1-naphthylimino)butan-2-ol,4-(1-naphthylimino)butan-2-ol,CC(O)CC=Nc2cccc1ccccc12,CC(O)CC=Nc2cccc1ccccc12,"InChI=1/C14H15NO/c1-11(16)9-10-15-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,10-11,16H,9H2,1H3",C14H15NO,,,,,,AHTUGIHOEPIEAY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.611,222-672-6,3570-58-9,2-chloroethyl methanesulphonate,2-chloroethyl methanesulfonate,CS(=O)(=O)OCCCl,CS(=O)(=O)OCCCl,"InChI=1/C3H7ClO3S/c1-8(5,6)7-3-2-4/h2-3H2,1H3",C3H7ClO3S,,,,,,FMMYTRQXHORTCU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.618,222-679-4,3571-74-2,"2-(allylthio)-4,5-dihydrothiazole","2-(allylsulfanyl)-4,5-dihydro-1,3-thiazole",C=CCSC1=NCCS1,C=CCSC1=NCCS1,"InChI=1/C6H9NS2/c1-2-4-8-6-7-3-5-9-6/h2H,1,3-5H2",C6H9NS2,,,,,,HOULSWDLZNLUIV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.621,222-683-6,5/08/3572,2-bromo-4'-ethoxy-2-ethylbutyranilide,2-bromo-N-(4-ethoxyphenyl)-2-ethylbutanamide,CCOc1ccc(NC(=O)C(Br)(CC)CC)cc1,CCOc1ccc(NC(=O)C(Br)(CC)CC)cc1,"InChI=1/C14H20BrNO2/c1-4-14(15,5-2)13(17)16-11-7-9-12(10-8-11)18-6-3/h7-10H,4-6H2,1-3H3,(H,16,17)",C14H20BrNO2,,,,,,UEECBKODSIZCJC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.502,223-650-9,4001-73-4,2-bromobenzamide,2-bromobenzamide,NC(=O)c1ccccc1Br,NC(=O)c1ccccc1Br,"InChI=1/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)",C7H6BrNO,,,,,,NHNAEZDWNCRWRW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.505,223-654-0,4004-95-9,1-phenylpiperazine dihydrochloride,1-phenylpiperazine dihydrochloride,Cl.Cl.C1CN(CCN1)c2ccccc2,Cl.Cl.C1CN(CCN1)c2ccccc2,"InChI=1/C10H14N2.2ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;;/h1-5,11H,6-9H2;2*1H",C10H14N2.2ClH,,,,,,CUTPTQNQXVVRDB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.514,223-664-5,4009-98-7,(methoxymethyl)triphenylphosphonium chloride,(methoxymethyl)(triphenyl)phosphonium chloride,[Cl-].COC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].COC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H20OP.ClH/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1",C20H20OP.Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5691,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.514,SJFNDMHZXCUXSA-UHFFFAOYSA-M,,,,,,,,,,,
100.020.138,222-150-8,3371-62-8,Bis[3-(trimethoxysilyl)propyl] fumarate,bis[3-(trimethoxysilyl)propyl] but-2-enedioate,CO[Si](CCCOC(=O)\\C=C\\C(=O)OCCC[Si](OC)(OC)OC)(OC)OC,CO[Si](CCCOC(=O)\C=C\C(=O)OCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3",C16H32O10Si2,,,,,,GPWPWELMLCKXRP-MDZDMXLPSA-N,,,,,,,,,,,
100.020.139,222-151-3,3371-85-5,Methyl 12-methoxy-13-(17-methoxy-17-oxovobasan-3a-yl)ibogamine-18-carboxylate,methyl 12-methoxy-13-(17-methoxy-17-oxovobasan-3-yl)ibogamine-18-carboxylate,CCC1CC2CN3CCc4c([nH]c5cc(C6CC7C(C(Cc8c6[nH]c9ccccc89)N(C)C/C/7=C\\C)C(=O)OC)c(OC)cc45)C(C2)(C13)C(=O)OC,CCC1CC2CN3CCc4c([nH]c5cc(C6CC7C(C(Cc8c6[nH]c9ccccc89)N(C)C/C/7=C\C)C(=O)OC)c(OC)cc45)C(C2)(C13)C(=O)OC,"InChI=1/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3",C43H52N4O5,,,,,,VCMIRXRRQJNZJT-ZNLRHDTNSA-N,,,,,,,,,,,
100.020.140,222-152-9,9/02/3372,"(5a,6a)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride","7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride",Cl.O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3)c45,Cl.O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3)c45,"InChI=1/C16H17NO3.ClH/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15;/h1-4,9-10,12,15,17-19H,5-7H2;1H",C16H17NO3.ClH,,,,,,HQNHDHNPDOTERW-VIGPQYPBSA-N,,,,,,,,,,,
100.020.141,222-153-4,3373-00-0,"1,2,3,4-tetrahydroquinolin-6-ol","1,2,3,4-tetrahydroquinolin-6-ol",Oc1ccc2NCCCc2c1,Oc1ccc2NCCCc2c1,"InChI=1/C9H11NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10-11H,1-2,5H2",C9H11NO,,,,,,CTJSPUFGQNVJJP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.143,222-156-0,2/10/3373,p-di-tert-pentylbenzene,"1,4-bis(1,1-dimethylpropyl)benzene",CCC(C)(C)c1ccc(cc1)C(C)(C)CC,CCC(C)(C)c1ccc(cc1)C(C)(C)CC,"InChI=1/C16H26/c1-7-15(3,4)13-9-11-14(12-10-13)16(5,6)8-2/h9-12H,7-8H2,1-6H3",C16H26,,,,,,KNLFZJBLNQRLEL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.056,220-961-1,2946-76-1,2-methyl-1-phenylpiperazine,2-methyl-1-phenylpiperazine,CC1CNCCN1c2ccccc2,CC1CNCCN1c2ccccc2,"InChI=1/C11H16N2/c1-10-9-12-7-8-13(10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3",C11H16N2,,,,,,DCRJYZGRZCZYJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.059,220-964-8,2948-46-1,"a,a,a',a'-tetramethyl-p-xylene-a,a'-diol","2,2'-(1,4-phenylene)dipropan-2-ol",CC(C)(O)c1ccc(cc1)C(C)(C)O,CC(C)(O)c1ccc(cc1)C(C)(C)O,"InChI=1/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3",C12H18O2,,,,,,LEARFTRDZQQTDN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.055,218-759-3,2226-88-2,Diammonium succinate,diammonium succinate,[NH4+].[NH4+].[O-]C(=O)CCC(=O)[O-],[NH4+].[NH4+].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);2*1H3",C4H6O4.2H3N,,,,,,NHJPVZLSLOHJDM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.056,218-760-9,2226-96-2,"4-hydroxy-2,2,6,6-tetramethylpiperidinoxyl","2,2,6,6-tetramethylpiperidine-1,4-diol",CC1(C)CC(O)CC(C)(C)N1O,CC1(C)CC(O)CC(C)(C)N1O,"InChI=1/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3",C9H18NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13868,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.056,CSGAUKGQUCHWDP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.059,218-764-0,2227-64-7,2-bromo-1-(3-nitrophenyl)ethan-1-one,2-bromo-1-(3-nitrophenyl)ethanone,[O-][N+](=O)c1cccc(c1)C(=O)CBr,[O-][N+](=O)c1cccc(c1)C(=O)CBr,"InChI=1/C8H6BrNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2",C8H6BrNO3,,,,,,GZHPNIQBPGUSSX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.060,218-765-6,2227-79-4,Thiobenzamide,benzenecarbothioamide,NC(=S)c1ccccc1,NC(=S)c1ccccc1,"InChI=1/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)",C7H7NS,,,,,,QIOZLISABUUKJY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.061,218-766-1,2228-39-9,"Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-, dihydrochloride","6',7',10,11-tetramethoxy-2,3-didehydroemetan dihydrochloride",Cl.Cl.CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1,Cl.Cl.CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1,"InChI=1/C29H38N2O4.2ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,24-25,30H,6-12,17H2,1-5H3;2*1H",C29H38N2O4.2ClH,,,,,,WNJZDNXVVDNPSI-FJEGXLQFSA-N,,,,,,,,,,,
100.017.064,218-769-8,2231-57-4,Thiocarbonohydrazide,thiocarbonohydrazide,NNC(=S)NN,NNC(=S)NN,"InChI=1/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)",CH6N4S,,,,,,LJTFFORYSFGNCT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.067,218-772-4,2232-69-1,Dimethylbis(myristoyloxy)stannane,dimethyl[bis(tetradecanoyloxy)]stannane,CCCCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCCCC,"InChI=1/2C14H28O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2*2-13H2,1H3,(H,15,16);2*1H3;/q;;;;+2/p-2/rC30H60O4Sn/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(31)33-35(3,4)34-30(32)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3",C30H60O4Sn,,,,,,GVMQLXSYVFYKCE-UHFFFAOYSA-L,,,,,,,,,,,
100.017.068,218-774-5,2233-18-3,"4-hydroxy-3,5-dimethylbenzaldehyde","4-hydroxy-3,5-dimethylbenzaldehyde",Cc1cc(C=O)cc(C)c1O,Cc1cc(C=O)cc(C)c1O,"InChI=1/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3",C9H10O2,,,,,,UYGBSRJODQHNLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.070,218-776-6,2233-42-3,Zirconium tetra(2-ethylhexanoate),zirconium tetra(2-ethylhexanoate),[Zr+2].[Zr+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Zr+2].[Zr+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/4C8H16O2.2Zr/c4*1-3-5-6-7(4-2)8(9)10;;/h4*7H,3-6H2,1-2H3,(H,9,10);;/q;;;;2*+2/p-4",C8H16O2.1/4Zr,,,,,,IVSDLTOALMZLAG-UHFFFAOYSA-J,,,,,,,,,,,
100.017.072,218-778-7,2234-13-1,Octachloronaphthalene,octachloronaphthalene,Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl,Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl,InChI=1/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12,C10Cl8,,,,,,RTNLUFLDZOAXIC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.074,218-780-8,2234-16-4,"1-(2,4-dichlorophenyl)ethan-1-one","1-(2,4-dichlorophenyl)ethanone",CC(=O)c1ccc(Cl)cc1Cl,CC(=O)c1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3",C8H6Cl2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5283,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.074,XMCRWEBERCXJCH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.079,218-786-0,2234-97-1,Tripropylphosphine,tripropylphosphine,CCCP(CCC)CCC,CCCP(CCC)CCC,"InChI=1/C9H21P/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3",C9H21P,,,,,,KCTAHLRCZMOTKM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.081,218-788-1,2235-01-0,"1,1'-(dimethoxymethylene)bisbenzene","1,1'-(dimethoxymethylene)dibenzene",COC(OC)(c1ccccc1)c2ccccc2,COC(OC)(c1ccccc1)c2ccccc2,"InChI=1/C15H16O2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3",C15H16O2,,,,,,NYRVXYOKUZSUDA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.083,218-790-2,"2235-25-8, 2533-93-9",Tris(ethylmercury) phosphate,tris[ethylmercury(1+)] phosphate,CC[Hg+].CC[Hg+].CC[Hg+].[O-]P(=O)([O-])[O-],CC[Hg+].CC[Hg+].CC[Hg+].[O-]P(=O)([O-])[O-],"InChI=1/3C2H5.3Hg.H3O4P/c3*1-2;;;;1-5(2,3)4/h3*1H2,2H3;;;;(H3,1,2,3,4)/q;;;3*+1;/p-3/r3C2H5Hg.H3O4P/c3*1-2-3;1-5(2,3)4/h3*2H2,1H3;(H3,1,2,3,4)/q3*+1;/p-3",C2H5HgO4P.2H,,,,,,JZUFICOMWWVIJZ-UHFFFAOYSA-K,,,,,,,,,,,
100.018.620,220-481-2,4/10/2781,Dibutyltin bis(2-ethylhexanoate),dibutyltin bis(2-ethylhexanoate),CCCC[Sn+2]CCCC.CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],CCCC[Sn+2]CCCC.CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/r2C8H16O2.C8H18Sn/c2*1-3-5-6-7(4-2)8(9)10;1-3-5-7-9-8-6-4-2/h2*7H,3-6H2,1-2H3,(H,9,10);3-8H2,1-2H3/q;;+2/p-2",C24H48O4Sn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11664,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.620,GPDWNEFHGANACG-UHFFFAOYSA-L,,,,,,,,,,,
100.020.128,222-139-8,3368-33-0,"Ethyl hydrogen sulphate, cerium(3+) salt",-,[Ce+3].CCOS(=O)(=O)O,[Ce+3].CCOS(=O)(=O)O,"InChI=1/C2H6O4S.Ce/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3",C2H6O4S.1/3Ce,,,,,,RKXMZDMVDCZKCP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.129,222-140-3,3368-34-1,"Ethyl hydrogen sulphate, gadolinium(3+) salt",-,[Gd+3].CCOS(=O)(=O)O,[Gd+3].CCOS(=O)(=O)O,"InChI=1/C2H6O4S.Gd/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3",C2H6O4S.1/3Gd,,,,,,CCMNPWNQRZNWTL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.130,222-141-9,3368-35-2,"Ethyl hydrogen sulphate, neodymium(3+) salt",-,[Nd+3].CCOS(=O)(=O)O,[Nd+3].CCOS(=O)(=O)O,"InChI=1/C2H6O4S.Nd/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3",C2H6O4S.1/3Nd,,,,,,FTYCPMWUOWEQTF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.131,218-842-4,2251-50-5,Pentafluorobenzoyl chloride,pentafluorobenzoyl chloride,Fc1c(F)c(F)c(C(=O)Cl)c(F)c1F,Fc1c(F)c(F)c(C(=O)Cl)c(F)c1F,InChI=1/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10,C7ClF5O,,,,,,MYHOHFDYWMPGJY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.133,218-845-0,2252-51-9,2-chloro-4-fluorobenzoic acid,2-chloro-4-fluorobenzoic acid,OC(=O)c1ccc(F)cc1Cl,OC(=O)c1ccc(F)cc1Cl,"InChI=1/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)",C7H4ClFO2,,,,,,GRPWQLDSGNZEQE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.139,218-851-3,2253-73-8,Isopropyl isothiocyanate,2-isothiocyanatopropane,CC(C)N=C=S,CC(C)N=C=S,"InChI=1/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3",C4H7NS,,,,,,VHBFEIBMZHEWSX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.141,218-853-4,2255-39-2,"a-amino-2,3-dihydro-2-oxooxazole-5-acetic acid","amino(2-oxo-2,3-dihydro-1,3-oxazol-5-yl)acetic acid",NC(C(=O)O)C1=CNC(=O)O1,NC(C(=O)O)C1=CNC(=O)O1,"InChI=1/C5H6N2O4/c6-3(4(8)9)2-1-7-5(10)11-2/h1,3H,6H2,(H,7,10)(H,8,9)",C5H6N2O4,,,,,,ASBGWPLVVIASBE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.144,218-857-6,5/06/2259,"Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3ß)-",methyl 3-hydroxylup-20(29)-en-28-oate,COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C,COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C,"InChI=1/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3",C31H50O3,,,,,,XNZIMRUZBOZIBC-JVRMVBBZSA-N,,,,,,,,,,,
100.017.146,218-859-7,2259-96-3,Cyclothiazide,"3-bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C3CC4CC3C=C4)cc1Cl,NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C3CC4CC3C=C4)cc1Cl,"InChI=1/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)",C14H16ClN3O4S2,,,,,,BOCUKUHCLICSIY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.150,218-863-9,2261-99-6,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl methacrylate","2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C11H8F12O2/c1-4(2)5(24)25-3-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h6H,1,3H2,2H3",C11H8F12O2,,,,,,YJKHMSPWWGBKTN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.155,218-869-1,9/06/2269,"(S)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolinium chloride","1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium chloride",[Cl-].COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,[Cl-].COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,"InChI=1/C21H25NO4.ClH/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20;/h9-11,15H,6-8H2,1-5H3;1H",C21H25NO4.ClH,,,,,,KRMYOICRUJJKEZ-RSAXXLAASA-N,,,,,,,,,,,
100.017.156,218-870-7,2269-21-8,"1,1'-(hexadecylimino)dipropan-2-ol","1,1'-(hexadecylimino)dipropan-2-ol",CCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O,CCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O,"InChI=1/C22H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21(2)24)20-22(3)25/h21-22,24-25H,4-20H2,1-3H3",C22H47NO2,,,,,,MNDXNPPBHMRCOA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.160,218-874-9,2270-60-2,"Methyl 3,7-dimethyloct-6-enoate","methyl 3,7-dimethyloct-6-enoate",COC(=O)CC(C)CCC=C(C)C,COC(=O)CC(C)CCC=C(C)C,"InChI=1/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3",C11H20O2,,,,,,ZFLPOPCZMXGUOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.161,218-875-4,2270-61-3,"3,4-dihydro-4-methyl-2H-pyran","4-methyl-3,4-dihydro-2H-pyran",CC1CCOC=C1,CC1CCOC=C1,"InChI=1/C6H10O/c1-6-2-4-7-5-3-6/h2,4,6H,3,5H2,1H3",C6H10O,,,,,,AQLGQCKMZPKPBC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.168,218-883-8,2273-51-0,Oxodiphenylstannane,oxo(diphenyl)stannane,O=[Sn](c1ccccc1)c2ccccc2,O=[Sn](c1ccccc1)c2ccccc2,InChI=1/2C6H5.O.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H;;/rC12H10OSn/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C12H10OSn,,,,,,VPPWQRIBARKZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.948,248-358-9,27241-31-2,"3-amino-1-(2,4,6-trichlorophenyl)-5-pyrazolone","5-amino-2-(2,4,6-trichlorophenyl)-1,2-dihydro-3H-pyrazol-3-one",NC1=CC(=O)N(N1)c2c(Cl)cc(Cl)cc2Cl,NC1=CC(=O)N(N1)c2c(Cl)cc(Cl)cc2Cl,"InChI=1/C9H6Cl3N3O/c10-4-1-5(11)9(6(12)2-4)15-8(16)3-7(13)14-15/h1-3,14H,13H2",C9H6Cl3N3O,,,,,,XZRWLJLWXBCCLD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.957,248-368-3,27253-26-5,Diisotridecyl phthalate,bis(11-methyldodecyl) phthalate,CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C,"InChI=1/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3",C34H58O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10574,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.957,BCSGAWBQJHXXSE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.959,248-370-4,27253-29-8,Zinc neodecanoate,"zinc bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)O[Zn]OC(=O)CC(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)CC(=O)O[Zn]OC(=O)CC(C)(C)CC(C)(C)C,"InChI=1/2C10H20O2.Zn/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16151,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.959,JUODUXKPGONLIM-UHFFFAOYSA-L,,,,,,,,,,,
100.043.960,248-372-5,27253-30-1,Lithium neodecanoate,"lithium 3,3,5,5-tetramethylhexanoate",[Li]OC(=O)CC(C)(C)CC(C)(C)C,[Li]OC(=O)CC(C)(C)CC(C)(C)C,"InChI=1/C10H20O2.Li/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);/q;+1/p-1",C10H20O2.Li,,,,,,ZCLQKZPKMWMSGL-UHFFFAOYSA-M,,,,,,,,,,,
100.043.967,248-379-3,27255-72-7,(6R-trans)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3ccccc3)C2=O)C(=O)O,CC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3ccccc3)C2=O)C(=O)O,"InChI=1/C16H16N2O4S/c1-9-8-23-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)",C16H16N2O4S,,,,,,CIPQGGYPCPIDBB-WFASDCNBSA-N,,,,,,,,,,,
100.043.969,248-381-4,27276-25-1,"Sodium 6-(3,4,5-trimethoxybenzamido)hexanoate","sodium 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoate",[Na+].COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)[O-],[Na+].COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)[O-],"InChI=1/C16H23NO6.Na/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19;/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1",C16H23NO6.Na,,,,,,SNOOUWRIMMFWNE-UHFFFAOYSA-M,,,,,,,,,,,
100.043.979,248-392-4,27310-22-1,"1,1-diethoxyhexa-2,4-diene","1,1-diethoxyhexa-2,4-diene",CCOC(C=CC=CC)OCC,CCOC(C=CC=CC)OCC,"InChI=1/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h4,7-10H,5-6H2,1-3H3",C10H18O2,,,,,,PDAPABBBKRHCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.981,248-395-0,27312-17-0,"1-5-diamino-2-bromo-4,8-dihydroxyanthraquinone","1,5-diamino-2-bromo-4,8-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12,"InChI=1/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2",C14H9BrN2O4,,,,,,HZUBBVGKQQJUME-UHFFFAOYSA-N,,,,,,,,,,,
100.043.986,248-400-6,27317-59-5,Ethyl 3-ethoxy-3-iminopropionate,ethyl 3-ethoxy-3-iminopropanoate,CCOC(=N)CC(=O)OCC,CCOC(=N)CC(=O)OCC,"InChI=1/C7H13NO3/c1-3-10-6(8)5-7(9)11-4-2/h8H,3-5H2,1-2H3",C7H13NO3,,,,,,ZAKAONRTRWRIJT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.988,248-402-7,27321-62-6,Glycerol dinitrate,"3-hydroxypropane-1,2-diyl dinitrate",OCC(CO[N+](=O)[O-])O[N+](=O)[O-],OCC(CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2",C3H6N2O7,,,,,,GFVHBTOOPNJKLV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.991,248-405-3,27323-18-8,"Chloro-1,1'-biphenyl",2-chlorobiphenyl,Clc1ccccc1c2ccccc2,Clc1ccccc1c2ccccc2,InChI=1/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,C12H9Cl,,,,,,LAXBNTIAOJWAOP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.993,248-407-4,27323-47-3,Aminoundecanoic acid,2-aminoundecanoic acid,CCCCCCCCCC(N)C(=O)O,CCCCCCCCCC(N)C(=O)O,"InChI=1/C11H23NO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)",C11H23NO2,,,,,,HASUJDLTAYUWCO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.994,248-409-5,27325-78-6,Bis[2-[2-isopropyloxazolidin-3-yl]ethyl] adipate,"bis[2-(2-isopropyl-1,3-oxazolidin-3-yl)ethyl] adipate",CC(C)C1OCCN1CCOC(=O)CCCCC(=O)OCCN2CCOC2C(C)C,CC(C)C1OCCN1CCOC(=O)CCCCC(=O)OCCN2CCOC2C(C)C,"InChI=1/C22H40N2O6/c1-17(2)21-23(11-15-29-21)9-13-27-19(25)7-5-6-8-20(26)28-14-10-24-12-16-30-22(24)18(3)4/h17-18,21-22H,5-16H2,1-4H3",C22H40N2O6,,,,,,BIRCERFPGAAFFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.648,244-728-9,22026-12-6,Tridecan-6-one,tridecan-6-one,CCCCCCCC(=O)CCCCC,CCCCCCCC(=O)CCCCC,"InChI=1/C13H26O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h3-12H2,1-2H3",C13H26O,,,,,,KPVFRXPKBAAIIE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.649,244-729-4,22026-13-7,Heptadecan-6-one,heptadecan-6-one,CCCCCCCCCCCC(=O)CCCCC,CCCCCCCCCCCC(=O)CCCCC,"InChI=1/C17H34O/c1-3-5-7-8-9-10-11-12-14-16-17(18)15-13-6-4-2/h3-16H2,1-2H3",C17H34O,,,,,,LRVKCBZAFZUCCB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.651,244-732-0,22027-50-5,Methyl 3-(p-methoxyphenyl)-3-oxopropionate,methyl 3-(4-methoxyphenyl)-3-oxopropanoate,COC(=O)CC(=O)c1ccc(OC)cc1,COC(=O)CC(=O)c1ccc(OC)cc1,"InChI=1/C11H12O4/c1-14-9-5-3-8(4-6-9)10(12)7-11(13)15-2/h3-6H,7H2,1-2H3",C11H12O4,,,,,,VXXOASOINNOPGR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.144,222-157-6,3373-53-3,Isoguanine,"6-amino-3,9-dihydro-2H-purin-2-one",O=C\\2Nc1ncnc1C(/N)=N/2,O=C\2Nc1ncnc1C(/N)=N/2,"InChI=1/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)",C5H5N5O,,,,,,DRAVOWXCEBXPTN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.152,222-166-5,3375-38-0,"1,6-diphenylhexane-1,6-dione","1,6-diphenylhexane-1,6-dione",O=C(CCCCC(=O)c1ccccc1)c2ccccc2,O=C(CCCCC(=O)c1ccccc1)c2ccccc2,"InChI=1/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2",C18H18O2,,,,,,VRBLNWVVFVBNRK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.158,222-172-8,3377-24-0,"4,4'-isopropylidenebis(cyclohexylamine)","4,4'-propane-2,2-diyldicyclohexanamine",CC(C)(C1CCC(N)CC1)C2CCC(N)CC2,CC(C)(C1CCC(N)CC1)C2CCC(N)CC2,"InChI=1/C15H30N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14H,3-10,16-17H2,1-2H3",C15H30N2,,,,,,BDBZTOMUANOKRT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.167,222-182-2,3380-34-5,Triclosan,"5-chloro-2-(2,4-dichlorophenoxy)phenol",Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,"InChI=1/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",C12H7Cl3O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12675,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.167,XEFQLINVKFYRCS-UHFFFAOYSA-N,Negative,,,,,,SM863253;EQ016853|EQ016854|EQ016855|EQ016856|EQ016857|EQ016858,[M-H]-;[M-H]-,HCD35;HCD45|HCD60|HCD75|HCD90|HCD120|HCD150,286.9439:141.9831;141.9825|141.9827:160.9567|141.9826:160.9567|141.9824:160.9567:89.0032|89.0032:160.9565|89.0033,CASMI_2016;Eawag
100.020.172,222-188-5,2/08/3383,Sodium o-allylphenolate,sodium 2-allylphenolate,[Na]Oc1ccccc1CC=C,[Na]Oc1ccccc1CC=C,"InChI=1/C9H10O.Na/c1-2-5-8-6-3-4-7-9(8)10;/h2-4,6-7,10H,1,5H2;/q;+1/p-1",C9H10O.Na,,,,,,KUXQLMNDHHCTEM-UHFFFAOYSA-M,,,,,,,,,,,
100.020.173,222-189-0,3383-21-9,"3,5-di-tert-butyl-o-benzoquinone","3,5-di-tert-butyl-1,2-benzoquinone",CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C,CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C,"InChI=1/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3",C14H20O2,,,,,,NOUZOVBGCDDMSX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.174,222-190-6,3383-30-0,N-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]acetamide,N-(4-hydroxy-5-isopropyl-2-methylphenyl)acetamide,CC(C)c1cc(NC(=O)C)c(C)cc1O,CC(C)c1cc(NC(=O)C)c(C)cc1O,"InChI=1/C12H17NO2/c1-7(2)10-6-11(13-9(4)14)8(3)5-12(10)15/h5-7,15H,1-4H3,(H,13,14)",C12H17NO2,,,,,,XQDPWBPPHDJTSP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.176,222-192-7,1/04/3384,(3-chloropropoxy)benzene,(3-chloropropoxy)benzene,ClCCCOc1ccccc1,ClCCCOc1ccccc1,"InChI=1/C9H11ClO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C9H11ClO,,,,,,AZXLOLRTEJEZHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.177,222-193-2,3/03/3385,Flunisolide,"12-fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3",C24H31FO6,,,,,,XSFJVAJPIHIPKU-XWCQMRHXSA-N,,,,,,,,,,,
100.017.184,218-901-4,2277-28-3,"2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate","2,3-dihydroxypropyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(O)CO,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3",C21H38O4,,,,,,WECGLUPZRHILCT-HZJYTTRNSA-N,,,,,,,,,,,
100.017.185,218-903-5,2277-42-1,"[S-(R*,R*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one","2-amino-6-(1,2,3-trihydroxypropyl)pteridin-4(1H)-one",NC1=NC(=O)c2nc(cnc2N1)C(O)C(O)CO,NC1=NC(=O)c2nc(cnc2N1)C(O)C(O)CO,"InChI=1/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)",C9H11N5O4,,,,,,BMQYVXCPAOLZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.195,218-914-5,2280-44-6,D-glucose,D-glucose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-SLPGGIOYSA-N,,,,,,,,,,,
100.017.198,218-917-1,2280-89-9,"3-amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid","3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid",CNC(=O)c1c(I)c(N)c(I)c(C(=O)O)c1I,CNC(=O)c1c(I)c(N)c(I)c(C(=O)O)c1I,"InChI=1/C9H7I3N2O3/c1-14-8(15)2-4(10)3(9(16)17)6(12)7(13)5(2)11/h13H2,1H3,(H,14,15)(H,16,17)",C9H7I3N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12748,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.198,AKXKBAWZIVNNJR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.217,218-938-6,2294-82-8,9-ethyl-9H-fluorene,9-ethyl-9H-fluorene,CCC1c2ccccc2c3ccccc13,CCC1c2ccccc2c3ccccc13,"InChI=1/C15H14/c1-2-11-12-7-3-5-9-14(12)15-10-6-4-8-13(11)15/h3-11H,2H2,1H3",C15H14,,,,,,QBBCCEYJCKGWIK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.221,218-942-8,2295-58-1,Flopropione,"1-(2,4,6-trihydroxyphenyl)propan-1-one",CCC(=O)c1c(O)cc(O)cc1O,CCC(=O)c1c(O)cc(O)cc1O,"InChI=1/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3",C9H10O4,,,,,,PTHLEKANMPKYDB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.224,218-945-4,2298-13-7,4-[(o-tolyl)azo]-o-toluidinium chloride,2-methyl-4-[(2-methylphenyl)diazenyl]anilinium chloride,[Cl-].Cc2cc(N=Nc1ccccc1C)ccc2[NH3+],[Cl-].Cc2cc(N=Nc1ccccc1C)ccc2[NH3+],"InChI=1/C14H15N3.ClH/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12;/h3-9H,15H2,1-2H3;1H",C14H15N3.ClH,,,,,,PUDCZUQFOPHIGU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.090,218-798-6,2236-31-9,"Estra-1,3,5(10)-triene-3,16a,17ß-triol tripropionate","estra-1,3,5(10)-triene-3,16,17-triyl tripropanoate",CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(OC(=O)CC)ccc4[C@H]3CC[C@]2(C)[C@H]1OC(=O)CC,CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(OC(=O)CC)ccc4[C@H]3CC[C@]2(C)[C@H]1OC(=O)CC,"InChI=1/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3",C27H36O6,,,,,,ONMZMZJEZHMWQL-REUUDLSRSA-N,,,,,,,,,,,
100.017.093,218-801-0,2237-36-7,4-methoxysalicylic acid,2-hydroxy-4-methoxybenzoic acid,COc1ccc(C(=O)O)c(O)c1,COc1ccc(C(=O)O)c(O)c1,"InChI=1/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)",C8H8O4,,,,,,MRIXVKKOHPQOFK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.095,218-803-1,2239-78-3,Propyl palmitate,propyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCC,CCCCCCCCCCCCCCCC(=O)OCCC,"InChI=1/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h3-18H2,1-2H3",C19H38O2,,,,,,BEKZXQKGTDVSKX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.100,218-808-9,2243-27-8,N-octanenitrile,nonanenitrile,CCCCCCCCC#N,CCCCCCCCC#N,"InChI=1/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3",C9H17N,,,,,,PLZZPPHAMDJOSR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.105,218-814-1,2243-53-0,4-phenyl-3-butenoic acid,4-phenylbut-3-enoic acid,OC(=O)CC=Cc1ccccc1,OC(=O)CC=Cc1ccccc1,"InChI=1/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)",C10H10O2,,,,,,PSCXFXNEYIHJST-UHFFFAOYSA-N,,,,,,,,,,,
100.020.478,222-525-6,3517-42-8,"3ß,17,21-trihydroxypregn-5-en-20-one 3,21-di(acetate)","17-hydroxy-20-oxopregn-5-ene-3,21-diyl diacetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C25H36O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h5,18-21,29H,6-14H2,1-4H3",C25H36O6,,,,,,OTNAVSJAMNLXPF-BSXCMTNWSA-N,,,,,,,,,,,
100.020.479,222-526-1,3518-65-8,Chloromethanesulphonyl chloride,chloromethanesulfonyl chloride,ClCS(=O)(=O)Cl,ClCS(=O)(=O)Cl,"InChI=1/CH2Cl2O2S/c2-1-6(3,4)5/h1H2",CH2Cl2O2S,,,,,,KQDDQXNVESLJNO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.480,222-527-7,3518-76-1,1-phenethylpiperidin-4-ol,1-(2-phenylethyl)piperidin-4-ol,OC1CCN(CCc2ccccc2)CC1,OC1CCN(CCc2ccccc2)CC1,"InChI=1/C13H19NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2",C13H19NO,,,,,,KYGMSTKBHJVPJK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.490,222-538-7,3524-62-7,O-methylbenzoin,"2-methoxy-1,2-diphenylethanone",COC(C(=O)c1ccccc1)c2ccccc2,COC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3",C15H14O2,,,,,,BQZJOQXSCSZQPS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.491,222-539-2,3524-66-1,"2-(hydroxymethyl)-2-[[(2-methyl-1-oxoallyl)oxy]methyl]-1,3-propanediyl bismethacrylate","3-hydroxy-2,2-bis[(methacryloyloxy)methyl]propyl methacrylate (non-preferred name)",CC(=C)C(=O)OCC(CO)(COC(=O)C(=C)C)COC(=O)C(=C)C,CC(=C)C(=O)OCC(CO)(COC(=O)C(=C)C)COC(=O)C(=C)C,"InChI=1/C17H24O7/c1-11(2)14(19)22-8-17(7-18,9-23-15(20)12(3)4)10-24-16(21)13(5)6/h18H,1,3,5,7-10H2,2,4,6H3",C17H24O7,,,,,,JUDXBRVLWDGRBC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.493,222-541-3,3524-73-0,5-methylhex-1-ene,5-methylhex-1-ene,CC(C)CCC=C,CC(C)CCC=C,"InChI=1/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H3",C7H14,,,,,,JIUFYGIESXPUPL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.495,222-543-4,3524-87-6,6-methyl-1H-pyrimidin-4-one,6-methylpyrimidin-4(1H)-one,CC1=CC(=O)N=CN1,CC1=CC(=O)N=CN1,"InChI=1/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)",C5H6N2O,,,,,,LHRIUKSRPHFASO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.497,222-546-0,3526-75-8,"[3S-(3a,3aß,5a,8a,8aß)]-decahydro-a,a,3,8-tetramethylazulene-5-methanol","2-(3,8-dimethyldecahydroazulen-5-yl)propan-2-ol",CC1CCC(CC2C(C)CCC12)C(C)(C)O,CC1CCC(CC2C(C)CCC12)C(C)(C)O,"InChI=1/C15H28O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-14,16H,5-9H2,1-4H3",C15H28O,,,,,,PAFKTNNJJBQVBA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.498,222-547-6,3527-55-7,"2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis(2-methylaziridin-1-yl)-1,2,3,4,5,6-triazatriphosphorine","2,2,4,4,6,6-hexakis(2-methylaziridin-1-yl)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine",CC1CN1p2(np(np(n2)(N3CC3C)N4CC4C)(N5CC5C)N6CC6C)N7CC7C,CC1CN1p2(np(np(n2)(N3CC3C)N4CC4C)(N5CC5C)N6CC6C)N7CC7C,"InChI=1/C18H36N9P3/c1-13-7-22(13)28(23-8-14(23)2)19-29(24-9-15(24)3,25-10-16(25)4)21-30(20-28,26-11-17(26)5)27-12-18(27)6/h13-18H,7-12H2,1-6H3",C18H36N9P3,,,,,,NGZPBOGBIKWFQY-UHFFFAOYSA-N,,,,,,,,,,,
100.022.251,224-475-0,4375-96-6,2-iodopropene,2-iodoprop-1-ene,CC(=C)I,CC(=C)I,"InChI=1/C3H5I/c1-3(2)4/h1H2,2H3",C3H5I,,,,,,KWAHADSKPFGJQF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.255,224-479-2,4377-41-7,2-(chloromethyl)quinoline,2-(chloromethyl)quinoline,ClCc1ccc2ccccc2n1,ClCc1ccc2ccccc2n1,"InChI=1/C10H8ClN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2",C10H8ClN,,,,,,DDEAEWMDOSXKBX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.258,224-482-9,4378-67-0,Sodium 1-hydroxyethanesulphinate,sodium 1-hydroxyethanesulfinate,[Na+].CC(O)S(=O)[O-],[Na+].CC(O)S(=O)[O-],"InChI=1/C2H6O3S.Na/c1-2(3)6(4)5;/h2-3H,1H3,(H,4,5);/q;+1/p-1",C2H6O3S.Na,,,,,,LQWPNAQCWBEFEP-UHFFFAOYSA-M,,,,,,,,,,,
100.017.171,218-886-4,5/11/2274,"1,2-ethanediyl diacrylate","ethane-1,2-diyl bisacrylate",C=CC(=O)OCCOC(=O)C=C,C=CC(=O)OCCOC(=O)C=C,"InChI=1/C8H10O4/c1-3-7(9)11-5-6-12-8(10)4-2/h3-4H,1-2,5-6H2",C8H10O4,,,,,,KUDUQBURMYMBIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.849,224-033-7,4171-13-5,Valnoctamide,2-ethyl-3-methylpentanamide,CCC(C)C(CC)C(=O)N,CCC(C)C(CC)C(=O)N,"InChI=1/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)",C8H17NO,,,,,,QRCJOCOSPZMDJY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.850,224-034-2,7/04/4172,N-(3-chloropropyl)-N-methylformamide,N-(3-chloropropyl)-N-methylformamide,CN(CCCCl)C=O,CN(CCCCl)C=O,"InChI=1/C5H10ClNO/c1-7(5-8)4-2-3-6/h5H,2-4H2,1H3",C5H10ClNO,,,,,,PSSHCDKLHDMLPC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.855,224-040-5,4175-37-5,4-octyl-N-phenylaniline,4-octyl-N-phenylaniline,CCCCCCCCc1ccc(Nc2ccccc2)cc1,CCCCCCCCc1ccc(Nc2ccccc2)cc1,"InChI=1/C20H27N/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17,21H,2-6,8,11H2,1H3",C20H27N,,,,,,DMLLDZGHGNLZNW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.858,224-043-1,9/04/4176,"[1R-(1a,4a,6a)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",CC1CC2C(CC1=O)C2(C)C,CC1CC2C(CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,ABSCYWMYRVUUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.860,224-045-2,4177-16-6,Vinylpyrazine,2-vinylpyrazine,C=Cc1cnccn1,C=Cc1cnccn1,"InChI=1/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2",C6H6N2,,,,,,KANZWHBYRHQMKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.865,224-051-5,5/12/4180,"Acetic acid, copper salt",copper(1+) acetate,[Cu+].CC(=O)[O-],[Cu+].CC(=O)[O-],"InChI=1/C2H4O2.Cu/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4O2.xCu,,,,,,RFKZUAOAYVHBOY-UHFFFAOYSA-M,,,,,,,,,,,
100.021.869,224-055-7,4181-95-7,Tetracontane,tetracontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",C40H82,,,,,,KUPLEGDPSCCPJI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.870,224-056-2,4182-44-9,N-(2-aminoethyl)-N-dodecylethylenediamine,"N-(2-aminoethyl)-N-dodecylethane-1,2-diamine",CCCCCCCCCCCCN(CCN)CCN,CCCCCCCCCCCCN(CCN)CCN,"InChI=1/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17)16-13-18/h2-18H2,1H3",C16H37N3,,,,,,BRNPMBFYMPUNSK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.874,224-060-4,4185-98-2,N-hydroxyisonicotinimidoyl chloride monohydrochloride,N-hydroxypyridine-4-carboximidoyl chloride hydrochloride,Cl.ON=C(Cl)c1ccncc1,Cl.ON=C(Cl)c1ccncc1,"InChI=1/C6H5ClN2O.ClH/c7-6(9-10)5-1-3-8-4-2-5;/h1-4,10H;1H",C6H5ClN2O.ClH,,,,,,ITRXBKABDGLFSW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.751,218-425-7,2150-42-7,"Methyl 2,3-dimethoxybenzoate","methyl 2,3-dimethoxybenzoate",COC(=O)c1cccc(OC)c1OC,COC(=O)c1cccc(OC)c1OC,"InChI=1/C10H12O4/c1-12-8-6-4-5-7(9(8)13-2)10(11)14-3/h4-6H,1-3H3",C10H12O4,,,,,,MGLIMPUPAKQITQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.755,218-429-9,2150-48-3,"3,6-bis(diethylamino)xanthylium chloride","3,6-bis(diethylamino)xanthenium chloride",[Cl-].CCN(CC)c1ccc2cc3ccc(cc3[o+]c2c1)N(CC)CC,[Cl-].CCN(CC)c1ccc2cc3ccc(cc3[o+]c2c1)N(CC)CC,"InChI=1/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1",C21H27N2O.Cl,,,,,,CXZRDVVUVDYSCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.016.760,218-435-1,2150-60-9,"Sodium 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxoanthracene-2-sulphonate","sodium 4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1ccc(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)S(=O)(=O)[O-],[Na+].Nc1ccc(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H10N2O7S.Na/c15-4-1-2-6(17)10-8(4)14(20)11-9(13(10)19)5(16)3-7(12(11)18)24(21,22)23;/h1-3,17-18H,15-16H2,(H,21,22,23);/q;+1/p-1",C14H10N2O7S.Na,,,,,,CKMPIIPZKJISCU-UHFFFAOYSA-M,,,,,,,,,,,
100.016.761,218-436-7,2151-60-2,"4,4'-carbonimidoylbis[N-methyl-o-toluidine] monohydrochloride","4,4'-carbonimidoylbis(N,2-dimethylaniline) hydrochloride",Cl.CNc1ccc(cc1C)C(=N)c2ccc(NC)c(C)c2,Cl.CNc1ccc(cc1C)C(=N)c2ccc(NC)c(C)c2,"InChI=1/C17H21N3.ClH/c1-11-9-13(5-7-15(11)19-3)17(18)14-6-8-16(20-4)12(2)10-14;/h5-10,18-20H,1-4H3;1H",C17H21N3.ClH,,,,,,DTJAPYHTDACJJX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.595,222-654-8,3567-25-7,"Sodium 5-chloro-2-[4-chloro-2-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]phenoxy]benzenesulphonate","sodium 5-chloro-2-(4-chloro-2-{[(3,4-dichlorophenyl)carbamoyl]amino}phenoxy)benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2NC(=O)Nc3ccc(Cl)c(Cl)c3,[Na+].[O-]S(=O)(=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2NC(=O)Nc3ccc(Cl)c(Cl)c3,"InChI=1/C19H12Cl4N2O5S.Na/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12;/h1-9H,(H2,24,25,26)(H,27,28,29);/q;+1/p-1",C19H12Cl4N2O5S.Na,,,,,,NMGNJWORLGLLHQ-UHFFFAOYSA-M,,,,,,,,,,,
100.040.652,244-733-6,22029-36-3,Ethylenediamine sulphate (1:1),-,NCCN.[O-]S(=O)(=O)[O-],NCCN.[O-]S(=O)(=O)[O-],"InChI=1/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)/p-2",C2H8N2.H2O4S,,,,,,BNZCDZDLTIHJAC-UHFFFAOYSA-L,,,,,,,,,,,
100.040.653,244-734-1,22029-44-3,N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]ethylenediamine,"N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]ethane-1,2-diamine",NCCNCCNCCNCc1ccccc1,NCCNCCNCCNCc1ccccc1,"InChI=1/C13H24N4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,15-17H,6-12,14H2",C13H24N4,,,,,,XXOQMYGARAONKF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.656,244-737-8,22031-09-0,Sodium 2-(2-butoxyethoxy)ethyl sulphate,sodium 2-(2-butoxyethoxy)ethyl sulfate,[Na+].CCCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C8H18O6S.Na/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1",C8H18O6S.Na,,,,,,VCQUBIADUKYFHY-UHFFFAOYSA-M,,,,,,,,,,,
100.040.657,244-738-3,22031-17-0,Tetrakis(hydroxymethyl)phosphonium phosphate(3:1),tris[tetrakis(hydroxymethyl)phosphonium] phosphate,OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-]P(=O)([O-])[O-],OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-]P(=O)([O-])[O-],"InChI=1/3C4H12O4P.H3O4P/c3*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h3*5-8H,1-4H2;(H3,1,2,3,4)/q3*+1;/p-3",C4H12O4P.1/3O4P,,,,,,ZTBDCHNXDHUMCJ-UHFFFAOYSA-K,,,,,,,,,,,
100.040.665,244-747-2,22038-85-3,(R)-(-)-a-(trifluoromethyl)benzylamine,"2,2,2-trifluoro-1-phenylethanamine",N[C@H](c1ccccc1)C(F)(F)F,N[C@H](c1ccccc1)C(F)(F)F,"InChI=1/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2",C8H8F3N,,,,,,DZCAUMADOBDJJH-SSDOTTSWSA-N,,,,,,,,,,,
100.040.671,244-754-0,22047-49-0,2-ethylhexyl stearate,2-ethylhexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3",C26H52O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13584,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.671,OPJWPPVYCOPDCM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.675,244-758-2,22068-88-8,"Benzenethiosulphonic acid, anhydrosulphide with O,O-dimethyl hydrogen dithiophosphate",-,COP(=S)(OC)SS(=O)(=O)c1ccccc1,COP(=S)(OC)SS(=O)(=O)c1ccccc1,"InChI=1/C8H11O4PS3/c1-11-13(14,12-2)15-16(9,10)8-6-4-3-5-7-8/h3-7H,1-2H3",C8H11O4PS3,,,,,,ZVBGXSLDEJEETH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.677,244-760-3,22071-22-3,3-benzoylphenylacetic acid,(3-benzoylphenyl)acetic acid,OC(=O)Cc1cccc(c1)C(=O)c2ccccc2,OC(=O)Cc1cccc(c1)C(=O)c2ccccc2,"InChI=1/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)",C15H12O3,,,,,,ALDSXDRDRWDASQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.679,244-762-4,22071-32-5,(3-benzoyl-2-methoxyphenyl)acetic acid,(3-benzoyl-2-methoxyphenyl)acetic acid,COc1c(CC(=O)O)cccc1C(=O)c2ccccc2,COc1c(CC(=O)O)cccc1C(=O)c2ccccc2,"InChI=1/C16H14O4/c1-20-16-12(10-14(17)18)8-5-9-13(16)15(19)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18)",C16H14O4,,,,,,OTSCNWKNPQLUII-UHFFFAOYSA-N,,,,,,,,,,,
100.040.680,244-764-5,22071-33-6,(3-benzoyl-2-methoxyphenyl)acetonitrile,(3-benzoyl-2-methoxyphenyl)acetonitrile,COc1c(CC#N)cccc1C(=O)c2ccccc2,COc1c(CC#N)cccc1C(=O)c2ccccc2,"InChI=1/C16H13NO2/c1-19-16-13(10-11-17)8-5-9-14(16)15(18)12-6-3-2-4-7-12/h2-9H,10H2,1H3",C16H13NO2,,,,,,MIJYFLXOJQTGHU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.686,244-770-8,22089-22-1,Trofosfamide,"N,N,3-tris(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide",ClCCN(CCCl)P1(=O)OCCCN1CCCl,ClCCN(CCCl)P1(=O)OCCCN1CCCl,"InChI=1/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2",C9H18Cl3N2O2P,,,,,,UMKFEPPTGMDVMI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.691,244-776-0,22094-93-5,"2,2'-[(2,2',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide]","2,2'-[(2,2',5,5'-tetrachlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]",Clc2cc(c(Cl)cc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc4Cl,Clc2cc(c(Cl)cc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc4Cl,"InChI=1/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)",C36H32Cl4N6O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2023,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.691,GPWXTTPSHZOIKO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.274,248-718-5,27897-08-1,"2,5-dimethylsulphanilic acid","4-amino-2,5-dimethylbenzenesulfonic acid",Cc1cc(c(C)cc1N)S(=O)(=O)O,Cc1cc(c(C)cc1N)S(=O)(=O)O,"InChI=1/C8H11NO3S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)",C8H11NO3S,,,,,,QTYQPEBQHHUSIK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.276,248-720-6,27902-24-5,"Bis[(R)-12-hydroxyoleic] acid, diester with glycerol","2-hydroxypropane-1,3-diyl bis(12-hydroxyoctadec-9-enoate)",CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC(O)CCCCCC,CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC(O)CCCCCC,"InChI=1/C39H72O7/c1-3-5-7-21-27-35(40)29-23-17-13-9-11-15-19-25-31-38(43)45-33-37(42)34-46-39(44)32-26-20-16-12-10-14-18-24-30-36(41)28-22-8-6-4-2/h17-18,23-24,35-37,40-42H,3-16,19-22,25-34H2,1-2H3",C39H72O7,,,,,,SUEGNWDYVDUYBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.277,248-721-1,27905-02-8,Gallium citrate,gallium citrate,[Ga+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ga+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Ga/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",C6H8O7.Ga,,,,,,YEEGWNXDUZONAA-UHFFFAOYSA-K,,,,,,,,,,,
100.017.227,218-949-6,2300-15-4,"2,4-bis[1-(4-hydroxyphenyl)isopropyl]phenol","2,4-bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol",CC(C)(c1ccc(O)cc1)c2ccc(O)c(c2)C(C)(C)c3ccc(O)cc3,CC(C)(c1ccc(O)cc1)c2ccc(O)c(c2)C(C)(C)c3ccc(O)cc3,"InChI=1/C24H26O3/c1-23(2,16-5-10-19(25)11-6-16)18-9-14-22(27)21(15-18)24(3,4)17-7-12-20(26)13-8-17/h5-15,25-27H,1-4H3",C24H26O3,,,,,,VPVTXVHUJHGOCM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.775,218-451-9,2155-60-4,Dibutyl itaconate,dibutyl 2-methylenesuccinate,CCCCOC(=O)CC(=C)C(=O)OCCCC,CCCCOC(=O)CC(=C)C(=O)OCCCC,"InChI=1/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3",C13H22O4,,,,,,OGVXYCDTRMDYOG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.777,218-454-5,2155-71-7,Di-tert-butyl diperoxyphthalate,"di-tert-butyl benzene-1,2-dicarboperoxoate",CC(C)(C)OOC(=O)c1ccccc1C(=O)OOC(C)(C)C,CC(C)(C)OOC(=O)c1ccccc1C(=O)OOC(C)(C)C,"InChI=1/C16H22O6/c1-15(2,3)21-19-13(17)11-9-7-8-10-12(11)14(18)20-22-16(4,5)6/h7-10H,1-6H3",C16H22O6,,,,,,QZYRMODBFHTNHF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.779,218-456-6,2155-74-0,Antimony tributanolate,antimony(3+) tributan-1-olate,[SbH3+3].CCCC[O-].CCCC[O-].CCCC[O-],[SbH3+3].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/3C4H9O.Sb.3H/c3*1-2-3-4-5;;;;/h3*2-4H2,1H3;;;;/q3*-1;+3;;;/r3C4H9O.H3Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;1H3/q3*-1;+3",C4H10O.1/3Sb,,,,,,FKPOCJOSJZBAGD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.781,218-458-7,2155-94-4,"N,N-dimethylallylamine","N,N-dimethylprop-2-en-1-amine",CN(C)CC=C,CN(C)CC=C,"InChI=1/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3",C5H11N,,,,,,GBCKRQRXNXQQPW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.783,218-460-8,2156-29-8,2-[p-(dimethylamino)styryl]-1-methylpyridinium iodide,2-{2-[4-(dimethylamino)phenyl]vinyl}-1-methylpyridinium iodide,[I-].CN(C)c1ccc(\\C=C\\c2cccc[n+]2C)cc1,[I-].CN(C)c1ccc(\C=C\c2cccc[n+]2C)cc1,"InChI=1/C16H19N2.HI/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;/h4-13H,1-3H3;1H/q+1;/p-1",C16H19N2.I,,,,,,XPOIQAIBZGSIDD-UHFFFAOYSA-M,,,,,,,,,,,
100.016.789,218-467-6,2157-19-9,"1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dimethanol","(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-diyl)dimethanol",OCC1C(CO)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,OCC1C(CO)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1/C9H8Cl6O2/c10-5-6(11)8(13)4(2-17)3(1-16)7(5,12)9(8,14)15/h3-4,16-17H,1-2H2",C9H8Cl6O2,,,,,,GTSJHTSVFKEASK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.791,218-469-7,2157-42-8,Hexaethyl diorthosilicate,triethyl triethoxysilyl orthosilicate,CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,"InChI=1/C12H30O7Si2/c1-7-13-20(14-8-2,15-9-3)19-21(16-10-4,17-11-5)18-12-6/h7-12H2,1-6H3",C12H30O7Si2,,,,,,GYTROFMCUJZKNA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.795,218-473-9,2157-98-4,Dimethyl 1-methyl-3-(methylamino)-3-oxoprop-1-enyl phosphate,dimethyl 1-methyl-3-(methylamino)-3-oxoprop-1-en-1-yl phosphate,O=P(OC)(OC)OC(C)=CC(=O)NC,O=P(OC)(OC)OC(C)=CC(=O)NC,"InChI=1/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)",C7H14NO5P,,,,,,KRTSDMXIXPKRQR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.798,218-477-0,9/08/2158,Octadecylurea,1-octadecylurea,CCCCCCCCCCCCCCCCCCNC(=O)N,CCCCCCCCCCCCCCCCCCNC(=O)N,"InChI=1/C19H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)22/h2-18H2,1H3,(H3,20,21,22)",C19H40N2O,,,,,,GJNDMSSZEBNLPU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.805,218-484-9,2162-63-2,4-decyloxy-2-hydroxybenzophenone,[4-(decyloxy)-2-hydroxyphenyl](phenyl)methanone,CCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C23H30O3/c1-2-3-4-5-6-7-8-12-17-26-20-15-16-21(22(24)18-20)23(25)19-13-10-9-11-14-19/h9-11,13-16,18,24H,2-8,12,17H2,1H3",C23H30O3,,,,,,JQSSXIRDGUMPNP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.809,218-489-6,2162-98-3,"1,10-dichlorodecane","1,10-dichlorodecane",ClCCCCCCCCCCCl,ClCCCCCCCCCCCl,InChI=1/C10H20Cl2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,C10H20Cl2,,,,,,RBBNTRDPSVZESY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.812,218-492-2,2163-48-6,Diethyl propylmalonate,diethyl propylmalonate,CCCC(C(=O)OCC)C(=O)OCC,CCCC(C(=O)OCC)C(=O)OCC,"InChI=1/C10H18O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h8H,4-7H2,1-3H3",C10H18O4,,,,,,GRRSDGHTSMJICM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.813,218-493-8,2163-69-1,Cycluron,"3-cyclooctyl-1,1-dimethylurea",CN(C)C(=O)NC1CCCCCCC1,CN(C)C(=O)NC1CCCCCCC1,"InChI=1/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)",C11H22N2O,,,,,,DQZCVNGCTZLGAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.814,218-494-3,2163-77-1,3-amino-4-hydroxyphenylarsonic acid,(3-amino-4-hydroxyphenyl)arsonic acid,Nc1cc(ccc1O)[As](=O)(O)O,Nc1cc(ccc1O)[As](=O)(O)O,"InChI=1/C6H8AsNO4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3,9H,8H2,(H2,10,11,12)",C6H8AsNO4,,,,,,UAKCHCFOPKOOLI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.816,218-496-4,2163-97-5,4-chloro-2-nitrophenylmethyl sulphone,"1,1'-[sulfonylbis(methylene)]bis(4-chloro-2-nitrobenzene)",[O-][N+](=O)c1cc(Cl)ccc1CS(=O)(=O)Cc2ccc(Cl)cc2[N+](=O)[O-],[O-][N+](=O)c1cc(Cl)ccc1CS(=O)(=O)Cc2ccc(Cl)cc2[N+](=O)[O-],"InChI=1/C14H10Cl2N2O6S/c15-11-3-1-9(13(5-11)17(19)20)7-25(23,24)8-10-2-4-12(16)6-14(10)18(21)22/h1-6H,7-8H2",C7H6ClNO4S,,,,,,UHMZHFGNMWZRJC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.261,224-486-0,4382-33-6,"(2R-trans)-2,3-dihydro-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone","3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one",OC1C(Oc2cc(O)ccc2C1=O)c3cc(O)c(O)c(O)c3,OC1C(Oc2cc(O)ccc2C1=O)c3cc(O)c(O)c(O)c3,"InChI=1/C15H12O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,14-18,20-21H",C15H12O7,,,,,,VSJCDPYIMBSOKN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.264,224-489-7,6/06/4383,3-hydroxy-4-methoxybenzyl alcohol,5-(hydroxymethyl)-2-methoxyphenol,COc1ccc(CO)cc1O,COc1ccc(CO)cc1O,"InChI=1/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3",C8H10O3,,,,,,WHKRHBLAJFYZKF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.268,224-493-9,4385-35-7,"1,4-dihydro-3H-2-benzopyran-3-one","1,4-dihydro-3H-isochromen-3-one",O=C1Cc2ccccc2CO1,O=C1Cc2ccccc2CO1,"InChI=1/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2",C9H8O2,,,,,,ILHLUZUMRJQEAH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.270,224-496-5,4385-91-5,2-amino-4-methoxybutyric acid,O-methylhomoserine,COCCC(N)C(=O)O,COCCC(N)C(=O)O,"InChI=1/C5H11NO3/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",C5H11NO3,,,,,,KFHRMMHGGBCRIV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.271,224-497-0,2/03/4386,4-[(2-carboxyethyl)amino]butyric acid,4-[(2-carboxyethyl)amino]butanoic acid,OC(=O)CCCNCCC(=O)O,OC(=O)CCCNCCC(=O)O,"InChI=1/C7H13NO4/c9-6(10)2-1-4-8-5-3-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)",C7H13NO4,,,,,,SRGQUICKDUQCKO-UHFFFAOYSA-N,,,,,,,,,,,
100.022.274,224-500-5,4387-85-3,Bis[(1-oxoallyl)amino]acetic acid,bis(acryloylamino)acetic acid,OC(=O)C(NC(=O)C=C)NC(=O)C=C,OC(=O)C(NC(=O)C=C)NC(=O)C=C,"InChI=1/C8H10N2O4/c1-3-5(11)9-7(8(13)14)10-6(12)4-2/h3-4,7H,1-2H2,(H,9,11)(H,10,12)(H,13,14)",C8H10N2O4,,,,,,LVKKFNORSNCNPP-UHFFFAOYSA-N,,,,,,,,,,,
100.022.276,224-502-6,4388-58-3,"1,3-dioxolane-2-propiononitrile","3-(1,3-dioxolan-2-yl)propanenitrile",N#CCCC1OCCO1,N#CCCC1OCCO1,"InChI=1/C6H9NO2/c7-3-1-2-6-8-4-5-9-6/h6H,1-2,4-5H2",C6H9NO2,,,,,,ILNCXUYVDNKISU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.281,224-507-3,4390-16-3,Sodium barbiturate,"sodium 4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].[O-]C1=NC(=O)CC(=O)N1,[Na+].[O-]C1=NC(=O)CC(=O)N1,"InChI=1/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);/q;+1/p-1",C4H4N2O3.Na,,,,,,MHQHHBYRYFICDV-UHFFFAOYSA-M,,,,,,,,,,,
100.022.283,224-509-4,4390-97-0,Cadmium cinnamate,cadmium bis(3-phenylacrylate),[Cd+2].[O-]C(=O)\\C=C\\c1ccccc1.[O-]C(=O)\\C=C\\c2ccccc2,[Cd+2].[O-]C(=O)\C=C\c1ccccc1.[O-]C(=O)\C=C\c2ccccc2,"InChI=1/2C9H8O2.Cd/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/q;;+2/p-2",C9H8O2.1/2Cd,,,,,,RNYXQKMIRZBTEL-RWUXNGIBSA-L,,,,,,,,,,,
100.022.285,224-512-0,4392-37-4,N-(aminoiminomethyl)benzenesulphonamide,N-carbamimidoylbenzenesulfonamide,NC(=N)NS(=O)(=O)c1ccccc1,NC(=N)NS(=O)(=O)c1ccccc1,"InChI=1/C7H9N3O2S/c8-7(9)10-13(11,12)6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)",C7H9N3O2S,,,,,,BRSRNTJGTDYRFT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.289,224-516-2,4394-00-7,Niflumic acid,2-{[3-(trifluoromethyl)phenyl]amino}nicotinic acid,OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,"InChI=1/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",C13H9F3N2O2,,,,,,JZFPYUNJRRFVQU-UHFFFAOYSA-N,Positive/Negative,AU115401|AU115404|AU115405;EQ369101|EQ369102|EQ369103|EQ369104|EQ369105|EQ369106|EQ369107|EQ369108|EQ369109,[M+H]+;[M+H]+,CID21.0-31.5|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,265.0649:283.0764:266.0673|265.0531:245.0481:217.049|145.0198:217.049:168.0613;283.0688:265.0581:145.0261|283.0689:265.0584:263.0629|265.0583:283.0689:245.0523|265.0583:245.0522:217.0573|265.0584:245.0522:145.026|145.026:168.0682:217.0573|145.026:140.0495:123.0353|75.0229:140.0495:113.0388|75.0229:74.0151:113.0386,Athens_Univ;Eawag,EQ369151|EQ369152|EQ369153|EQ369154|EQ369155|EQ369156|EQ369157|EQ369158|EQ369159,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,281.0542:237.0646:217.0582|237.0644:281.0542:217.0582|237.0644:217.0583:235.0489|237.0646:177.0459:235.049|177.0459:235.0489:216.0504|177.0459:235.0489:195.0364|175.0301:93.0458:195.0363|175.0301:165.0457:73.0084|73.0084:50.0036:98.0036,Eawag
100.022.292,224-519-9,4395-53-3,"3-(anthraquinon-1-ylamino)anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione","3-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]anthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15(16H)-trione",O=C1c2ccccc2C(=O)c3c(Nc4ccc5c(c4)C(=O)c6ccc7c8ccc9C(=O)c%10ccccc%10C(=O)c9c8Nc%11ccc5c6c7%11)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccc5c(c4)C(=O)c6ccc7c8ccc9C(=O)c%10ccccc%10C(=O)c9c8Nc%11ccc5c6c7%11)cccc13,"InChI=1/C45H22N2O5/c48-41-26-6-1-3-8-28(26)44(51)38-30(41)10-5-11-34(38)46-21-12-13-22-23-18-19-35-37-24(14-16-31(36(23)37)43(50)33(22)20-21)25-15-17-32-39(40(25)47-35)45(52)29-9-4-2-7-27(29)42(32)49/h1-20,46-47H",C45H22N2O5,,,,,,JACFBUVEFBYGAX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.295,224-523-0,4/01/4396,Pelletierine,1-piperidin-2-ylacetone,CC(=O)CC1CCCCN1,CC(=O)CC1CCCCN1,"InChI=1/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3",C8H15NO,,,,,,JEIZLWNUBXHADF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.306,224-535-6,4402-24-8,Diethyl (3-aminopropyl)phosphonate,diethyl (3-aminopropyl)phosphonate,CCOP(=O)(CCCN)OCC,CCOP(=O)(CCCN)OCC,"InChI=1/C7H18NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-8H2,1-2H3",C7H18NO3P,,,,,,DQORFBNFNLHVIM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.313,224-542-4,4403-32-1,"3,6,9,12,15-pentaazaheptadecane-1,17-diamine","3,6,9,12,15-pentaazaheptadecane-1,17-diamine",NCCNCCNCCNCCNCCNCCN,NCCNCCNCCNCCNCCNCCN,"InChI=1/C12H33N7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h15-19H,1-14H2",C12H33N7,,,,,,AQGNVWRYTKPRMR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.316,224-546-6,4403-90-1,"Disodium 2,2'-(9,10-dioxoanthracene-1,4-diyldiimino)bis(5-methylsulphonate)","disodium 2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]bis(5-methylbenzenesulfonate)",[Na+].[Na+].Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)[O-])c4C(=O)c5ccccc5C(=O)c24)c(c1)S(=O)(=O)[O-],[Na+].[Na+].Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)[O-])c4C(=O)c5ccccc5C(=O)c24)c(c1)S(=O)(=O)[O-],"InChI=1/C28H22N2O8S2.2Na/c1-15-7-9-19(23(13-15)39(33,34)35)29-21-11-12-22(30-20-10-8-16(2)14-24(20)40(36,37)38)26-25(21)27(31)17-5-3-4-6-18(17)28(26)32;;/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C28H22N2O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17560,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.316,FPAYXBWMYIMERV-UHFFFAOYSA-L,,,,,,,,,,,
100.020.605,222-665-8,5/01/3569,"Naphth[2,3-c]acridine-5,8,14(13H)-trione","naphtho[2,3-c]acridine-5,8,14(13H)-trione",O=C1c2ccccc2Nc3c1ccc4C(=O)c5ccccc5C(=O)c34,O=C1c2ccccc2Nc3c1ccc4C(=O)c5ccccc5C(=O)c34,"InChI=1/C21H11NO3/c23-19-11-5-1-2-6-12(11)21(25)17-14(19)9-10-15-18(17)22-16-8-4-3-7-13(16)20(15)24/h1-10H,(H,22,24)",C21H11NO3,,,,,,BARVYLKNIVAHDY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.606,222-666-3,3569-18-4,"3-(4-carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid","3-(4-carboxyphenyl)-1,1,3-trimethylindane-5-carboxylic acid",CC1(C)CC(C)(c2ccc(cc2)C(=O)O)c3cc(ccc13)C(=O)O,CC1(C)CC(C)(c2ccc(cc2)C(=O)O)c3cc(ccc13)C(=O)O,"InChI=1/C20H20O4/c1-19(2)11-20(3,14-7-4-12(5-8-14)17(21)22)16-10-13(18(23)24)6-9-15(16)19/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)",C20H20O4,,,,,,CDZMWAHBQLPCHD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.609,222-670-5,3570-15-8,"Nicotinic acid, compound with 2-aminoethanol (1:1)",nicotinic acid - 2-aminoethanol (1:1),NCCO.OC(=O)c1cccnc1,NCCO.OC(=O)c1cccnc1,"InChI=1/C6H5NO2.C2H7NO/c8-6(9)5-2-1-3-7-4-5;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2",C6H5NO2.C2H7NO,,,,,,GDOCJYOSJSADCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.617,222-678-9,3571-71-9,Metaterol,3-[1-hydroxy-2-(isopropylamino)ethyl]phenol,CC(C)NCC(O)c1cccc(O)c1,CC(C)NCC(O)c1cccc(O)c1,"InChI=1/C11H17NO2/c1-8(2)12-7-11(14)9-4-3-5-10(13)6-9/h3-6,8,11-14H,7H2,1-2H3",C11H17NO2,,,,,,LVISWIXSNZQRHA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.624,222-686-2,3572-52-9,Xenysalate,2-(diethylamino)ethyl 2-hydroxybiphenyl-3-carboxylate,CCN(CC)CCOC(=O)c1cccc(c1O)c2ccccc2,CCN(CC)CCOC(=O)c1cccc(c1O)c2ccccc2,"InChI=1/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3",C19H23NO3,,,,,,HLDCSYXMVXILQC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.503,223-651-4,4003-79-6,"17,20a,21-trihydroxypregna-1,4-diene-3,11-dione 20-acetate","17,21-dihydroxy-3,11-dioxopregna-1,4-dien-20-yl acetate",CC(=O)OC(CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)OC(CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C23H30O6/c1-13(25)29-19(12-24)23(28)9-7-17-16-5-4-14-10-15(26)6-8-21(14,2)20(16)18(27)11-22(17,23)3/h6,8,10,16-17,19-20,24,28H,4-5,7,9,11-12H2,1-3H3",C28H36O6,,,,,,PJACGMJBJNDALK-TVJCDXMSSA-N,,,,,,,,,,,
100.021.504,223-653-5,4003-94-5,p-nitrostilbene,1-nitro-4-(2-phenylvinyl)benzene,[O-][N+](=O)c1ccc(\\C=C\\c2ccccc2)cc1,[O-][N+](=O)c1ccc(\C=C\c2ccccc2)cc1,InChI=1/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,C14H11NO2,,,,,,ZISCOWXWCHUSMH-VOTSOKGWSA-N,,,,,,,,,,,
100.021.509,223-658-2,4005-68-9,3-[(4-anilinophenyl)azo]benzenesulphonic acid,3-[(4-anilinophenyl)diazenyl]benzenesulfonic acid,OS(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3,OS(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3,"InChI=1/C18H15N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23,24)",C18H15N3O3S,,,,,,HLISYGBBLOOIQF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.510,223-659-8,4006-50-2,"1,2,3,4,6,7,8,9-octahydrophenazine","1,2,3,4,6,7,8,9-octahydrophenazine",C1CCc2nc3CCCCc3nc2C1,C1CCc2nc3CCCCc3nc2C1,InChI=1/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H2,C12H16N2,,,,,,JYYRTWNCBVRKMN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.134,222-146-6,3370-28-3,o-di-tert-pentylbenzene,"1,2-bis(1,1-dimethylpropyl)benzene",CCC(C)(C)c1ccccc1C(C)(C)CC,CCC(C)(C)c1ccccc1C(C)(C)CC,"InChI=1/C16H26/c1-7-15(3,4)13-11-9-10-12-14(13)16(5,6)8-2/h9-12H,7-8H2,1-6H3",C16H26,,,,,,IQKPRDMUYVQFBP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.135,222-147-1,3370-35-2,N-(hydroxymethyl)stearamide,N-(hydroxymethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCO,CCCCCCCCCCCCCCCCCC(=O)NCO,"InChI=1/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h21H,2-18H2,1H3,(H,20,22)",C19H39NO2,,,,,,JHOKTNSTUVKGJC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.142,222-155-5,3/03/3373,"4,4'-heptylidenebisphenol","4,4'-heptane-1,1-diyldiphenol",CCCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,CCCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C19H24O2/c1-2-3-4-5-6-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h7-14,19-21H,2-6H2,1H3",C19H24O2,,,,,,CZCLTCVIZZPPBW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.145,222-158-1,3373-59-9,Methyl L-threoninate,methyl L-threoninate,COC(=O)[C@@H](N)C(C)O,COC(=O)[C@@H](N)C(C)O,"InChI=1/C5H11NO3/c1-3(7)4(6)5(8)9-2/h3-4,7H,6H2,1-2H3",C5H11NO3,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8251,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.145,TVHCXXXXQNWQLP-BKLSDQPFSA-N,,,,,,,,,,,
100.020.149,222-162-3,9/11/3375,"3,3'-sulphonyldi(benzenesulphonohydrazide)","3,3'-sulfonyldibenzenesulfonohydrazide",NNS(=O)(=O)c1cccc(c1)S(=O)(=O)c2cccc(c2)S(=O)(=O)NN,NNS(=O)(=O)c1cccc(c1)S(=O)(=O)c2cccc(c2)S(=O)(=O)NN,"InChI=1/C12H14N4O6S3/c13-15-24(19,20)11-5-1-3-9(7-11)23(17,18)10-4-2-6-12(8-10)25(21,22)16-14/h1-8,15-16H,13-14H2",C12H14N4O6S3,,,,,,BLJHFERYMGMXSC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.157,222-171-2,3377-21-7,Dimethyl methylenemalonate,dimethyl methylenemalonate,COC(=O)C(=C)C(=O)OC,COC(=O)C(=C)C(=O)OC,"InChI=1/C6H8O4/c1-4(5(7)9-2)6(8)10-3/h1H2,2-3H3",C6H8O4,,,,,,KTLZQSZGORXBED-UHFFFAOYSA-N,,,,,,,,,,,
100.020.159,222-173-3,3377-86-4,2-bromohexane,2-bromohexane,CCCCC(C)Br,CCCCC(C)Br,"InChI=1/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3",C6H13Br,,,,,,NEBYCXAKZCQWAW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.279,248-723-2,27910-26-5,"[6R-(6a,7ß)]-3-(acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",3-(acetoxymethyl)-7-{[hydroxy(phenyl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C(O)c3ccccc3)C2=O)C(=O)O,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C(O)c3ccccc3)C2=O)C(=O)O,"InChI=1/C18H18N2O7S/c1-9(21)27-7-11-8-28-17-12(16(24)20(17)13(11)18(25)26)19-15(23)14(22)10-5-3-2-4-6-10/h2-6,12,14,17,22H,7-8H2,1H3,(H,19,23)(H,25,26)",C18H18N2O7S,,,,,,CNAGMNMBHMQZPF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.288,248-733-7,27930-87-6,3-ethyl-5-[(3-methylthiazolidin-2-ylidene)ethylidene]rhodanine,"3-ethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",CN2CCSC2=CC=C1SC(=S)N(CC)C1=O,CN2CCSC2=CC=C1SC(=S)N(CC)C1=O,"InChI=1/C11H14N2OS3/c1-3-13-10(14)8(17-11(13)15)4-5-9-12(2)6-7-16-9/h4-5H,3,6-7H2,1-2H3",C11H14N2OS3,,,,,,WBOILOFIBGGYFC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.291,248-736-3,27932-00-9,"(2,3-dihydro-1H-inden-5-yl) hydrogen phenylmalonate","3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoic acid",OC(=O)C(C(=O)Oc1ccc2CCCc2c1)c3ccccc3,OC(=O)C(C(=O)Oc1ccc2CCCc2c1)c3ccccc3,"InChI=1/C18H16O4/c19-17(20)16(13-5-2-1-3-6-13)18(21)22-15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11,16H,4,7-8H2,(H,19,20)",C18H16O4,,,,,,ZPIUANRTQSWZBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.292,248-737-9,27933-36-4,3-bromo-3-methyl-2-[(2-nitrophenyl)thio]-3H-indole,3-bromo-3-methyl-2-[(2-nitrophenyl)sulfanyl]-3H-indole,CC1(Br)C(=Nc2ccccc12)Sc3ccccc3[N+](=O)[O-],CC1(Br)C(=Nc2ccccc12)Sc3ccccc3[N+](=O)[O-],"InChI=1/C15H11BrN2O2S/c1-15(16)10-6-2-3-7-11(10)17-14(15)21-13-9-5-4-8-12(13)18(19)20/h2-9H,1H3",C15H11BrN2O2S,,,,,,BXTVQNYQYUTQAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.297,248-743-1,27942-27-4,"20-(4-nonylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol","20-(4-nonylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol",CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,"InChI=1/C29H52O8/c1-2-3-4-5-6-7-8-9-28-10-12-29(13-11-28)37-27-26-36-25-24-35-23-22-34-21-20-33-19-18-32-17-16-31-15-14-30/h10-13,30H,2-9,14-27H2,1H3",C29H52O8,,,,,,ATBQNLZREVOGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.298,248-744-7,27948-10-3,Hexyl cyclohexanecarboxylate,hexyl cyclohexanecarboxylate,CCCCCCOC(=O)C1CCCCC1,CCCCCCOC(=O)C1CCCCC1,"InChI=1/C13H24O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h12H,2-11H2,1H3",C13H24O2,,,,,,QNVYTFRSSXVBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.299,248-745-2,27949-30-0,"2,3',6-biphenyltriol","biphenyl-2,3',6-triol",Oc1cccc(c1)c2c(O)cccc2O,Oc1cccc(c1)c2c(O)cccc2O,"InChI=1/C12H10O3/c13-9-4-1-3-8(7-9)12-10(14)5-2-6-11(12)15/h1-7,13-15H",C12H10O3,,,,,,MMJVFOMJAGADPT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.302,248-748-9,27959-26-8,Nicomol,"(2-hydroxycyclohexane-1,1,3,3-tetrayl)tetrakis(methylene) tetranicotinate",OC1C(COC(=O)c2cccnc2)(COC(=O)c3cccnc3)CCCC1(COC(=O)c4cccnc4)COC(=O)c5cccnc5,OC1C(COC(=O)c2cccnc2)(COC(=O)c3cccnc3)CCCC1(COC(=O)c4cccnc4)COC(=O)c5cccnc5,"InChI=1/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2",C34H32N4O9,,,,,,VRAHPESAMYMDQI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.303,248-749-4,27960-69-6,Titanium disulphate,titanium disulphate,[Ti+2].[Ti+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Ti+2].[Ti+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2H2O4S.2Ti/c2*1-5(2,3)4;;/h2*(H2,1,2,3,4);;/q;;2*+2/p-4",H2O4S.xTi,,,,,,QTFICGAQNGYFIK-UHFFFAOYSA-J,,,,,,,,,,,
100.044.306,248-753-6,27969-85-3,3-amino-6-hydroxy-2-pyridone hydrochloride,3-amino-6-hydroxypyridin-2(1H)-one hydrochloride,Cl.NC1=CC=C(O)NC1=O,Cl.NC1=CC=C(O)NC1=O,"InChI=1/C5H6N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h1-2H,6H2,(H2,7,8,9);1H",C5H6N2O2.ClH,,,,,,GBJIGTQQRZBAML-UHFFFAOYSA-N,,,,,,,,,,,
100.044.307,248-754-1,27970-50-9,"3-pentylpentane-2,4-dione","3-pentylpentane-2,4-dione",CCCCCC(C(=O)C)C(=O)C,CCCCCC(C(=O)C)C(=O)C,"InChI=1/C10H18O2/c1-4-5-6-7-10(8(2)11)9(3)12/h10H,4-7H2,1-3H3",C10H18O2,,,,,,RSYGAEISWXZUKM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.370,244-423-0,21528-31-4,2-[4-(dimethylamino)benzoyl]benzoic acid,2-[4-(dimethylamino)benzoyl]benzoic acid,CN(C)c1ccc(cc1)C(=O)c2ccccc2C(=O)O,CN(C)c1ccc(cc1)C(=O)c2ccccc2C(=O)O,"InChI=1/C16H15NO3/c1-17(2)12-9-7-11(8-10-12)15(18)13-5-3-4-6-14(13)16(19)20/h3-10H,1-2H3,(H,19,20)",C16H15NO3,,,,,,KAWOFQZCZFQCSH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.374,244-427-2,21535-97-7,3-methylbenzofuran,3-methyl-1-benzofuran,Cc1coc2ccccc12,Cc1coc2ccccc12,"InChI=1/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3",C9H8O,,,,,,ZRXHLJNBNWVNIM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.003,246-220-2,24393-66-6,"Ethyl (E)-3-(1,3-benzodioxol-5-yl)acrylate","ethyl 3-(1,3-benzodioxol-5-yl)acrylate",CCOC(=O)\\C=C\\c1ccc2OCOc2c1,CCOC(=O)\C=C\c1ccc2OCOc2c1,"InChI=1/C12H12O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3-7H,2,8H2,1H3",C12H12O4,,,,,,PTMOFMXIIKUMTA-GQCTYLIASA-N,,,,,,,,,,,
100.042.007,246-224-4,24401-36-3,2-phenyl-4-pentenal,2-phenylpent-4-enal,C=CCC(C=O)c1ccccc1,C=CCC(C=O)c1ccccc1,"InChI=1/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2",C11H12O,,,,,,PBWQZEMADHTUIF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.516,223-666-6,4013-94-9,"N,N'-diisopropylethylenediamine","N,N'-diisopropylethane-1,2-diamine",CC(C)NCCNC(C)C,CC(C)NCCNC(C)C,"InChI=1/C8H20N2/c1-7(2)9-5-6-10-8(3)4/h7-10H,5-6H2,1-4H3",C8H20N2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7083,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.516,MFIGJRRHGZYPDD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.526,223-677-6,4016-63-1,8-bromoguanosine,8-bromoguanosine,NC1=Nc2c(nc(Br)n2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1,NC1=Nc2c(nc(Br)n2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1,"InChI=1/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)",C10H12BrN5O5,,,,,,ASUCSHXLTWZYBA-UMMCILCDSA-N,,,,,,,,,,,
100.021.527,223-678-1,4016-85-7,N-(2-benzoyl-4-chlorophenyl)-2-chloroacetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloroacetamide,ClCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2,ClCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2,"InChI=1/C15H11Cl2NO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",C15H11Cl2NO2,,,,,,HDXLZRWEZZFDKA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.528,223-679-7,4017-57-6,Ethyl 2-oxocyclononanecarboxylate,ethyl 2-oxocyclononanecarboxylate,CCOC(=O)C1CCCCCCCC1=O,CCOC(=O)C1CCCCCCCC1=O,"InChI=1/C12H20O3/c1-2-15-12(14)10-8-6-4-3-5-7-9-11(10)13/h10H,2-9H2,1H3",C12H20O3,,,,,,ZNYACCYOKFCOOU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.534,223-686-5,4023-49-8,Bis(2-cyanoethyl)phosphine,"3,3'-phosphinediyldipropanenitrile",N#CCCPCCC#N,N#CCCPCCC#N,"InChI=1/C6H9N2P/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2",C6H9N2P,,,,,,BMNCJOAMYDWZAS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.535,223-687-0,4023-53-4,Tris(2-cyanoethyl)phosphine,"3,3',3''-phosphinetriyltripropanenitrile",N#CCCP(CCC#N)CCC#N,N#CCCP(CCC#N)CCC#N,"InChI=1/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2",C9H12N3P,,,,,,CHZAMJVESILJGH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.537,223-689-1,4023-80-7,"1-(4-methoxyphenyl)butane-1,3-dione","1-(4-methoxyphenyl)butane-1,3-dione",COc1ccc(cc1)C(=O)CC(=O)C,COc1ccc(cc1)C(=O)CC(=O)C,"InChI=1/C11H12O3/c1-8(12)7-11(13)9-3-5-10(14-2)6-4-9/h3-6H,7H2,1-2H3",C11H12O3,,,,,,PVCFQGTUBKQIMH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.538,223-690-7,4024-14-0,"1,2,3,4-tetrahydro-1-methylnaphthalen-2-one","1-methyl-3,4-dihydronaphthalen-2(1H)-one",CC1C(=O)CCc2ccccc12,CC1C(=O)CCc2ccccc12,"InChI=1/C11H12O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-5,8H,6-7H2,1H3",C11H12O,,,,,,VGZQKUJGVYFKBP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.543,223-695-4,5/05/4026,3-tert-butylpyrocatechol,"3-tert-butylbenzene-1,2-diol",CC(C)(C)c1cccc(O)c1O,CC(C)(C)c1cccc(O)c1O,"InChI=1/C10H14O2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,11-12H,1-3H3",C10H14O2,,,,,,JIGUICYYOYEXFS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.545,223-698-0,4026-20-4,"2-hydroxy-3,3-dimethylbutyric acid","2-hydroxy-3,3-dimethylbutanoic acid",CC(C)(C)C(O)C(=O)O,CC(C)(C)C(O)C(=O)O,"InChI=1/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)",C6H12O3,,,,,,FWVNWTNCNWRCOU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.546,223-699-6,4027-13-8,Tributyl(stearoyloxy)stannane,tributyl(stearoyloxy)stannane,CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C18H36O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h2-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC30H62O2Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(31)32-33(27-10-6-2,28-11-7-3)29-12-8-4/h5-29H2,1-4H3",C30H62O2Sn,,,,,,GQZXITZWLBSSOI-UHFFFAOYSA-M,,,,,,,,,,,
100.021.547,223-701-5,4027-18-3,4-oxo-4-[(tributylstannyl)oxy]but-2-enoic acid,4-oxo-4-[(tributylstannyl)oxy]but-2-enoic acid,CCCC[Sn](CCCC)(OC(=O)C=CC(O)=O)CCCC,CCCC[Sn](CCCC)(OC(=O)C=CC(O)=O)CCCC,"InChI=1/C4H4O4.3C4H9.Sn/c5-3(6)1-2-4(7)8;3*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC16H30O4Sn/c1-4-7-12-21(13-8-5-2,14-9-6-3)20-16(19)11-10-15(17)18/h10-11H,4-9,12-14H2,1-3H3,(H,17,18)",C16H30O4Sn,,,,,,OWPROSQENMJLFR-UHFFFAOYSA-M,,,,,,,,,,,
100.021.557,223-712-5,4028-98-2,"1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diacetate","1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) diacetate",CC(=O)[O-].CC(=O)[O-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34,CC(=O)[O-].CC(=O)[O-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34,"InChI=1/C30H38N4.2C2H4O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2(3)4/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H3,(H,3,4)",C30H40N4.2C2H3O2,,,,,,IWYNVAJACBPVLT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.183,222-200-9,3385-78-2,Trimethylindium,trimethylindium,C[In](C)C,C[In](C)C,InChI=1/3CH3.In/h3*1H3;/rC3H9In/c1-4(2)3/h1-3H3,C3H9In,,,,,,IBEFSUTVZWZJEL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.192,222-210-3,3387-26-6,"Furan-3,4-dicarboxylic acid","furan-3,4-dicarboxylic acid",OC(=O)c1cocc1C(=O)O,OC(=O)c1cocc1C(=O)O,"InChI=1/C6H4O5/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)",C6H4O5,,,,,,SYLAFCZSYRXBJF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.198,222-217-1,3/04/3388,"2-(3,4-epoxycyclohexyl)ethyltrimethoxysilane",trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane,CO[Si](CCC1CCC2OC2C1)(OC)OC,CO[Si](CCC1CCC2OC2C1)(OC)OC,"InChI=1/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3",C11H22O4Si,,,,,,DQZNLOXENNXVAD-UHFFFAOYSA-N,,,,,,,,,,,
100.019.064,220-970-0,2949-92-0,S-methyl methanethiosulphonate,S-methyl methanesulfonothioate,CSS(=O)(=O)C,CSS(=O)(=O)C,"InChI=1/C2H6O2S2/c1-5-6(2,3)4/h1-2H3",C2H6O2S2,,,,,,XYONNSVDNIRXKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.068,220-974-2,2955-37-5,"7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-benzo-1,4-diazepin-2-one 4-oxide","7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide",Clc1ccc2NC(=O)CN(=O)=C(c3ccccc3Cl)c2c1,Clc1ccc2NC(=O)CN(=O)=C(c3ccccc3Cl)c2c1,"InChI=1/C15H10Cl2N2O2/c16-9-5-6-13-11(7-9)15(19(21)8-14(20)18-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)",C15H10Cl2N2O2,,,,,,OJDGPERBKOETAX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.070,220-976-3,2955-88-6,2-pyrrolidin-1-ylethanol,2-pyrrolidin-1-ylethanol,OCCN1CCCC1,OCCN1CCCC1,"InChI=1/C6H13NO/c8-6-5-7-3-1-2-4-7/h8H,1-6H2",C6H13NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6268,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.070,XBRDBODLCHKXHI-UHFFFAOYSA-N,,,,,,,,,,,
100.019.072,220-978-4,4/06/2957,"Hexa-3,5-dien-2-one","hexa-3,5-dien-2-one",CC(=O)C=CC=C,CC(=O)C=CC=C,"InChI=1/C6H8O/c1-3-4-5-6(2)7/h3-5H,1H2,2H3",C6H8O,,,,,,DACOGBAZMZEGQL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.073,220-980-5,2957-21-3,"4',5-dihydroxy-7-methoxyflavone",5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one,COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)cc3,COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)cc3,"InChI=1/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3",C16H14O5,,,,,,JPMYFOBNRRGFNO-UHFFFAOYSA-N,,,,,,,,,,,
100.019.075,220-982-6,6/05/2958,"3,12-dioxo-5-ß-cholan-24-oic acid","3,12-dioxocholan-24-oic acid",CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(=O)C12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(=O)C12C,"InChI=1/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-20H,4-13H2,1-3H3,(H,27,28)",C24H36O4,,,,,,XNTYYYINMGRBQW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.081,220-988-9,2958-98-7,"2-amino-3,7-dihydro-3-methyl-6H-purin-6-one","2-amino-3-methyl-3,7-dihydro-6H-purin-6-one",CN1C(=NC(=O)c2[nH]cnc12)N,CN1C(=NC(=O)c2[nH]cnc12)N,"InChI=1/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)",C6H7N5O,,,,,,XHBSBNYEHDQRCP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.083,220-991-5,2959-96-8,2-phenylglutaric anhydride,"5,5'-oxybis(5-oxo-4-phenylpentanoic acid)",OC(=O)CCC(C(=O)OC(=O)C(CCC(=O)O)c1ccccc1)c2ccccc2,OC(=O)CCC(C(=O)OC(=O)C(CCC(=O)O)c1ccccc1)c2ccccc2,"InChI=1/C22H22O7/c23-19(24)13-11-17(15-7-3-1-4-8-15)21(27)29-22(28)18(12-14-20(25)26)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,24)(H,25,26)",C11H10O3,,,,,,XXUANHMBSGMEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.084,220-992-0,8/04/2961,"1,4,5-trihydroxyanthraquinone","1,4,5-trihydroxy-9,10-anthraquinone",Oc1cccc2C(=O)c3c(O)ccc(O)c3C(=O)c12,Oc1cccc2C(=O)c3c(O)ccc(O)c3C(=O)c12,"InChI=1/C14H8O5/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,15-17H",C14H8O5,,,,,,PRKNCOCERFKSLP-UHFFFAOYSA-N,,,,,,,,,,,
100.019.091,220-999-9,2963-78-2,2-butyryloxyethyltrimethylammonium chloride,"2-(butyryloxy)-N,N,N-trimethylethanaminium chloride",[Cl-].CCCC(=O)OCC[N+](C)(C)C,[Cl-].CCCC(=O)OCC[N+](C)(C)C,"InChI=1/C9H20NO2.ClH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1",C9H20NO2.Cl,,,,,,VCOBYGVZILHVOO-UHFFFAOYSA-M,,,,,,,,,,,
100.019.093,221-001-4,2964-48-9,"[S(R*,R*)]-2-amino-1-(p-nitrophenyl)propane-1,3-diol","2-amino-1-(4-nitrophenyl)propane-1,3-diol",NC(CO)C(O)c1ccc(cc1)N(=O)=O,NC(CO)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2",C9H12N2O4,,,,,,OCYJXSUPZMNXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.019.101,221-010-3,2972-58-9,4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide,4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2)C(N)=O)c3O,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2)C(N)=O)c3O,"InChI=1/C25H20N4O3/c1-15-6-2-5-9-21(15)27-25(32)20-14-17-7-3-4-8-19(17)22(23(20)30)29-28-18-12-10-16(11-13-18)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)",C25H20N4O3,,,,,,HDMHBRVDJGULBL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.104,221-014-5,2973-21-9,"N-methyl-2-nitrobenzene-1,4-diamine","N~1~-methyl-2-nitrobenzene-1,4-diamine",CNc1ccc(N)cc1[N+](=O)[O-],CNc1ccc(N)cc1[N+](=O)[O-],"InChI=1/C7H9N3O2/c1-9-6-3-2-5(8)4-7(6)10(11)12/h2-4,9H,8H2,1H3",C7H9N3O2,,,,,,CUUOESLUUQBFTM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.106,218-815-7,2243-54-1,2-naphthyl isocyanate,2-isocyanatonaphthalene,O=C=Nc1ccc2ccccc2c1,O=C=Nc1ccc2ccccc2c1,InChI=1/C11H7NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,C11H7NO,,,,,,XIXJQNFTNSQTBT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.107,218-816-2,2243-61-0,"Naphthalene-1,4-diamine","naphthalene-1,4-diamine",Nc1ccc(N)c2ccccc12,Nc1ccc(N)c2ccccc12,"InChI=1/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2",C10H10N2,,,,,,OKBVMLGZPNDWJK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.108,218-817-8,2243-62-1,"1,5-naphthylenediamine","naphthalene-1,5-diamine",Nc1cccc2c(N)cccc12,Nc1cccc2c(N)cccc12,"InChI=1/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2",C10H10N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1958,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.108,KQSABULTKYLFEV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.165,222-180-1,3378-82-3,1-bromonaphthalene-2-carbaldehyde,1-bromo-2-naphthaldehyde,Brc1c(C=O)ccc2ccccc12,Brc1c(C=O)ccc2ccccc12,InChI=1/C11H7BrO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H,C11H7BrO,,,,,,CYGUXEZVBLMVRV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.170,222-185-9,3382-18-1,"3,4-dihydro-6,7-dimethoxyisoquinoline","6,7-dimethoxy-3,4-dihydroisoquinoline",COc1cc2CCN=Cc2cc1OC,COc1cc2CCN=Cc2cc1OC,"InChI=1/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3",C11H13NO2,,,,,,NSLJVQUDZCZJLK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.171,222-186-4,3382-99-8,"2,6-diallylphenol","2,6-diallylphenol",Oc1c(CC=C)cccc1CC=C,Oc1c(CC=C)cccc1CC=C,"InChI=1/C12H14O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-5,8-9,13H,1-2,6-7H2",C12H14O,,,,,,RMXNSQWYMVTLEU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.179,222-195-3,3385-34-0,"Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate","ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate",CCOC(=O)C1=C(C)OC(=O)C=C1C,CCOC(=O)C1=C(C)OC(=O)C=C1C,"InChI=1/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3",C10H12O4,,,,,,FBPWNVQUVXSXKS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.180,222-196-9,3385-41-9,Diammonium adipate,diammonium adipate,[NH4+].[NH4+].[O-]C(=O)CCCCC(=O)[O-],[NH4+].[NH4+].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3",C6H10O4.2H3N,,,,,,ZRSKSQHEOZFGLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.180,218-896-9,2276-52-0,"1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride","6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol hydrochloride",Cl.CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C,Cl.CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C,"InChI=1/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H",C19H27NO.ClH,,,,,,OQGYMIIFOSJQSF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.183,218-900-9,2277-19-2,(Z)-non-6-enal,non-6-enal,CC\\C=C/CCCCC=O,CC\C=C/CCCCC=O,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3",C9H16O,,,,,,RTNPCOBSXBGDMO-ARJAWSKDSA-N,,,,,,,,,,,
100.017.197,218-916-6,2280-85-5,6-methyl-DL-tryptophan,6-methyl-L-tryptophan,OC(=O)[C@@H](N)Cc2cnc1cc(C)ccc12,OC(=O)[C@@H](N)Cc2cnc1cc(C)ccc12,"InChI=1/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)",C12H14N2O2,,,,,,GDMRVYIFGPMUCG-JTQLQIEISA-N,,,,,,,,,,,
100.017.199,218-918-7,2281-11-0,Hexadecyldimethyl(3-sulphonatopropyl)ammonium,3-[hexadecyl(dimethyl)ammonio]propane-1-sulfonate,CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3",C21H45NO3S,,,,,,TUBRCQBRKJXJEA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.206,218-926-0,2286-54-6,"3,3-diphenylpropiononitrile","3,3-diphenylpropanenitrile",N#CCC(c1ccccc1)c2ccccc2,N#CCC(c1ccccc1)c2ccccc2,"InChI=1/C15H13N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2",C15H13N,,,,,,INERKLNEVAZSCI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.207,218-927-6,2287-32-3,1-[2-(2-chloroethoxy)ethoxy]-2-methoxybenzene,1-[2-(2-chloroethoxy)ethoxy]-2-methoxybenzene,COc1ccccc1OCCOCCCl,COc1ccccc1OCCOCCCl,"InChI=1/C11H15ClO3/c1-13-10-4-2-3-5-11(10)15-9-8-14-7-6-12/h2-5H,6-9H2,1H3",C11H15ClO3,,,,,,ISMZWFQULKRSSN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.213,218-933-9,2294-46-4,"2,2'-iminodipropanol","2,2'-iminodipropan-1-ol",CC(CO)NC(C)CO,CC(CO)NC(C)CO,"InChI=1/C6H15NO2/c1-5(3-8)7-6(2)4-9/h5-9H,3-4H2,1-2H3",C6H15NO2,,,,,,WCYGORCMAJDYJN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.219,218-940-7,2295-24-1,Dichlorodipropylsilane,dichloro(dipropyl)silane,CCC[Si](Cl)(Cl)CCC,CCC[Si](Cl)(Cl)CCC,"InChI=1/C6H14Cl2Si/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3",C6H14Cl2Si,,,,,,UOZZKLIPYZQXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.767,218-443-5,2152-70-7,"1,5-bis(5-nitro-2-furyl)penta-1,4-dien-3-one","1,5-bis(5-nitro-2-furyl)penta-1,4-dien-3-one",O=[N+]([O-])c2ccc(C=CC(=O)C=Cc1ccc(o1)[N+]([O-])=O)o2,O=[N+]([O-])c2ccc(C=CC(=O)C=Cc1ccc(o1)[N+]([O-])=O)o2,InChI=1/C13H8N2O7/c16-9(1-3-10-5-7-12(21-10)14(17)18)2-4-11-6-8-13(22-11)15(19)20/h1-8H,C13H8N2O7,,,,,,LUWVSMYASMXSJY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.769,218-445-6,2153-28-8,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butyrate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl butyrate,CCCC(=O)OC(C)(C)C1CCC(=CC1)C,CCCC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3",C14H24O2,,,,,,LWKWNIYBQLKBMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.772,218-448-2,2154-68-9,"3-carboxy-2,2,5,5-tetramethylpyrrolidin-1-yloxy","1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid",CC1(C)CC(C(=O)O)C(C)(C)N1O,CC1(C)CC(C(=O)O)C(C)(C)N1O,"InChI=1/C9H17NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6,13H,5H2,1-4H3,(H,11,12)",C9H16NO3,,,,,,CLKPVQZFNYXFCY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.773,218-449-8,2155-30-8,Methyl (±)-lactate,methyl 2-hydroxypropanoate,COC(=O)C(C)O,COC(=O)C(C)O,"InChI=1/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3",C4H8O3,,,,,,LPEKGGXMPWTOCB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.018,246-237-5,24413-21-6,Carbazamidine phosphate,hydrazinecarboximidamide phosphate,N=C(N)NN.OP(O)(=O)O,N=C(N)NN.OP(O)(=O)O,"InChI=1/CH6N4.H3O4P/c2-1(3)5-4;1-5(2,3)4/h4H2,(H4,2,3,5);(H3,1,2,3,4)",CH6N4.H3O4P,,,,,,MMHVKBFOWOQNKY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.021,246-240-1,24424-99-5,Di(tert-butyl) carbonate,di-tert-butyl carbonate,CC(C)(C)OC(=O)OC(C)(C)C,CC(C)(C)OC(=O)OC(C)(C)C,"InChI=1/C9H18O3/c1-8(2,3)11-7(10)12-9(4,5)6/h1-6H3",C10H18O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5501,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.021,ODCCJTMPMUFERV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.026,246-245-9,24431-27-4,(4-ethylphenoxy)acetic acid,(4-ethylphenoxy)acetic acid,CCc1ccc(OCC(=O)O)cc1,CCc1ccc(OCC(=O)O)cc1,"InChI=1/C10H12O3/c1-2-8-3-5-9(6-4-8)13-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)",C10H12O3,,,,,,WVELHLIHMYYZAT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.027,246-246-4,24434-82-0,Benzo[b]thiophen-3-yl acetate,1-benzothiophen-3-yl acetate,CC(=O)Oc1csc2ccccc12,CC(=O)Oc1csc2ccccc12,"InChI=1/C10H8O2S/c1-7(11)12-9-6-13-10-5-3-2-4-8(9)10/h2-6H,1H3",C10H8O2S,,,,,,IFMOFXZTHWSMEA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.029,246-249-0,24442-57-7,"1,2-dibromoethyl acetate","1,2-dibromoethyl acetate",CC(=O)OC(Br)CBr,CC(=O)OC(Br)CBr,"InChI=1/C4H6Br2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3",C4H6Br2O2,,,,,,UXPDRIMBYCEVCO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.033,246-253-2,24447-78-7,"(1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl) diacrylate","propane-2,2-diylbis(4,1-phenyleneoxyethane-2,1-diyl) bisacrylate",CC(C)(c1ccc(OCCOC(=O)C=C)cc1)c2ccc(OCCOC(=O)C=C)cc2,CC(C)(c1ccc(OCCOC(=O)C=C)cc1)c2ccc(OCCOC(=O)C=C)cc2,"InChI=1/C25H28O6/c1-5-23(26)30-17-15-28-21-11-7-19(8-12-21)25(3,4)20-9-13-22(14-10-20)29-16-18-31-24(27)6-2/h5-14H,1-2,15-18H2,3-4H3",C25H28O6,,,,,,XWUNIDGEMNBBAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.997,248-412-1,27328-34-3,"N-(2,2-dimethoxyethyl)phthalimide","2-(2,2-dimethoxyethyl)-1H-isoindole-1,3(2H)-dione",COC(CN1C(=O)c2ccccc2C1=O)OC,COC(CN1C(=O)c2ccccc2C1=O)OC,"InChI=1/C12H13NO4/c1-16-10(17-2)7-13-11(14)8-5-3-4-6-9(8)12(13)15/h3-6,10H,7H2,1-2H3",C12H13NO4,,,,,,HDSDOJMUZFFCFU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.754,250-345-8,30812-87-4,Dibromoethylbenzene,"(1,1-dibromoethyl)benzene",CC(Br)(Br)c1ccccc1,CC(Br)(Br)c1ccccc1,"InChI=1/C8H8Br2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3",C8H8Br2,,,,,,SYHRBLJDOHYGJU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.759,250-351-0,30830-55-8,"1,3-benzodioxole-5-propionaldehyde","3-(1,3-benzodioxol-5-yl)propanal",O=CCCc1ccc2OCOc2c1,O=CCCc1ccc2OCOc2c1,"InChI=1/C10H10O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-6H,1-2,7H2",C10H10O3,,,,,,IDCKZBGINKOTOL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.767,250-359-4,30858-91-4,"N,N'-bis[3-(triethoxysilyl)propyl]ethylenediamine","N,N'-bis[3-(triethoxysilyl)propyl]ethane-1,2-diamine",CCO[Si](CCCNCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CCCNCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C20H48N2O6Si2/c1-7-23-29(24-8-2,25-9-3)19-13-15-21-17-18-22-16-14-20-30(26-10-4,27-11-5)28-12-6/h21-22H,7-20H2,1-6H3",C20H48N2O6Si2,,,,,,QMIREOCYHAFOPK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.768,250-361-5,30860-22-1,3-chloronorbornan-2-one,3-chlorobicyclo[2.2.1]heptan-2-one,ClC1C2CCC(C2)C1=O,ClC1C2CCC(C2)C1=O,"InChI=1/C7H9ClO/c8-6-4-1-2-5(3-4)7(6)9/h4-6H,1-3H2",C7H9ClO,,,,,,PQRKEKMZLKKQOP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.781,250-375-1,30896-98-1,"6,7,8-trimethoxyquinazoline-2,4(1H,3H)-dione","6,7,8-trimethoxyquinazoline-2,4(1H,3H)-dione",COc1cc2C(=O)NC(=O)Nc2c(OC)c1OC,COc1cc2C(=O)NC(=O)Nc2c(OC)c1OC,"InChI=1/C11H12N2O5/c1-16-6-4-5-7(9(18-3)8(6)17-2)12-11(15)13-10(5)14/h4H,1-3H3,(H2,12,13,14,15)",C11H12N2O5,,,,,,QNACMQOICPJEOM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.785,250-379-3,30899-62-8,"Lauric acid, ester with hydroxypropanediyl diacetate","2,3-diacetoxypropyl laurate",CCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C,CCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C,"InChI=1/C19H34O6/c1-4-5-6-7-8-9-10-11-12-13-19(22)24-15-18(25-17(3)21)14-23-16(2)20/h18H,4-15H2,1-3H3",C19H34O6,,,,,,NBMAHNZMRSQCPG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.697,244-782-3,22104-62-7,4-(dimethylamino)-3-methylbutan-2-one,4-(dimethylamino)-3-methylbutan-2-one,CC(CN(C)C)C(=O)C,CC(CN(C)C)C(=O)C,"InChI=1/C7H15NO/c1-6(7(2)9)5-8(3)4/h6H,5H2,1-4H3",C7H15NO,,,,,,SDABKFFSTRDBBD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.700,244-786-5,22104-81-0,Dodec-2-en-1-ol,dodec-2-en-1-ol,CCCCCCCCCC=CCO,CCCCCCCCCC=CCO,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-11,13H,2-9,12H2,1H3",C12H24O,,,,,,MLRYPOCSLBIUHY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.701,244-787-0,22113-87-7,Methylammonium nitrate,methanaminium nitrate,C[NH3+].[O-][N+](=O)[O-],C[NH3+].[O-][N+](=O)[O-],"InChI=1/CH5N.NO3/c1-2;2-1(3)4/h2H2,1H3;/q;-1/p+1",CH5N.HNO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14490,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.701,WPHINMYYTFDPIA-UHFFFAOYSA-O,,,,,,,,,,,
100.040.707,244-793-3,22128-62-7,Chloromethyl chloroformate,chloromethyl chlorocarbonate,ClCOC(=O)Cl,ClCOC(=O)Cl,InChI=1/C2H2Cl2O2/c3-1-6-2(4)5/h1H2,C2H2Cl2O2,,,,,,JYWJULGYGOLCGW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.205,222-225-5,3391-83-1,11-oxahexadecan-16-olide,"1,7-dioxacycloheptadecan-8-one",O=C1CCCCCCCCCOCCCCCO1,O=C1CCCCCCCCCOCCCCCO1,InChI=1/C15H28O3/c16-15-11-7-4-2-1-3-5-8-12-17-13-9-6-10-14-18-15/h1-14H2,C15H28O3,,,,,,MKEIDVFLAWJKMY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.214,222-234-4,8/11/3392,"tert-butyl (S)-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]carbamate","2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)-L-tryptophanate",CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON3C(=O)CCC3=O,CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON3C(=O)CCC3=O,"InChI=1/C20H23N3O6/c1-20(2,3)28-19(27)22-15(18(26)29-23-16(24)8-9-17(23)25)10-12-11-21-14-7-5-4-6-13(12)14/h4-7,11,15,21H,8-10H2,1-3H3,(H,22,27)",C20H23N3O6,,,,,,CPJXMXQYRHNIFU-HNNXBMFYSA-N,,,,,,,,,,,
100.020.216,222-237-0,3393-18-8,2'-deoxyinosine 5'-monophosphate,9-(2-deoxy-5-O-phosphonato-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol,O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n2cnc3c(O)ncnc23,O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n2cnc3c(O)ncnc23,"InChI=1/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/p-2",C10H13N4O7P,,,,,,PHNGFPPXDJJADG-RRKCRQDMSA-L,,,,,,,,,,,
100.020.220,222-241-2,3393-96-2,4'-nitrobenzanilide,N-(4-nitrophenyl)benzamide,[O-][N+](=O)c1ccc(NC(=O)c2ccccc2)cc1,[O-][N+](=O)c1ccc(NC(=O)c2ccccc2)cc1,"InChI=1/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16)",C13H10N2O3,,,,,,GMGQGZYFQSCZCW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.229,218-951-7,2300-66-5,"3,6-dichloro-o-anisic acid, compound with dimethylamine (1:1)","3,6-dichloro-2-methoxybenzoic acid - N-methylmethanamine (1:1)",CNC.COc1c(Cl)ccc(Cl)c1C(=O)O,CNC.COc1c(Cl)ccc(Cl)c1C(=O)O,"InChI=1/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3",C8H6Cl2O3.C2H7N,,,,,,JDRFUUBRGGDEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.232,218-954-3,2302-39-8,"4,5-dimethyl-1H-imidazole","4,5-dimethyl-1H-imidazole",Cc1nc[nH]c1C,Cc1nc[nH]c1C,"InChI=1/C5H8N2/c1-4-5(2)7-3-6-4/h3H,1-2H3,(H,6,7)",C5H8N2,,,,,,YSWBFLWKAIRHEI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.233,218-955-9,2302-84-3,1-formylthiosemicarbazide,2-formylhydrazinecarbothioamide,NC(=S)NNC=O,NC(=S)NNC=O,"InChI=1/C2H5N3OS/c3-2(7)5-4-1-6/h1H,(H,4,6)(H3,3,5,7)",C2H5N3OS,,,,,,KSKPFCYLLBRSBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.248,218-972-1,2305-21-7,Hex-2-en-1-ol,hex-2-en-1-ol,CCCC=CCO,CCCC=CCO,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3",C6H12O,,,,,,ZCHHRLHTBGRGOT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.751,220-625-4,2836-40-0,2-chloro-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide,2-chloro-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide,Fc1ccccc1C(=O)c2cc(Cl)ccc2NC(=O)CCl,Fc1ccccc1C(=O)c2cc(Cl)ccc2NC(=O)CCl,"InChI=1/C15H10Cl2FNO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)",C15H10Cl2FNO2,,,,,,JXGJTLQYJCMHKX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.758,220-633-8,2840-24-6,Trimethylammonium bromide,"N,N-dimethylmethanaminium bromide",[Br-].C[NH+](C)C,[Br-].C[NH+](C)C,InChI=1/C3H9N.BrH/c1-4(2)3;/h1-3H3;1H,C3H9N.BrH,,,,,,AISMNBXOJRHCIA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.759,220-634-3,2840-26-8,3-amino-p-anisic acid,3-amino-4-methoxybenzoic acid,COc1ccc(cc1N)C(=O)O,COc1ccc(cc1N)C(=O)O,"InChI=1/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)",C8H9NO3,,,,,,FDGAEAYZQQCBRN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.760,220-635-9,2840-28-0,3-amino-4-chlorobenzoic acid,3-amino-4-chlorobenzoic acid,Nc1cc(ccc1Cl)C(=O)O,Nc1cc(ccc1Cl)C(=O)O,"InChI=1/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)",C7H6ClNO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6450,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.760,DMGFVJVLVZOSOE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.764,220-640-6,2845-62-7,Phenylsulphonyl isocyanate,benzenesulfonyl isocyanate,O=C=NS(=O)(=O)c1ccccc1,O=C=NS(=O)(=O)c1ccccc1,"InChI=1/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H",C7H5NO3S,,,,,,UJYAZVSPFMJCLW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.767,220-643-2,2846-04-0,2-[(1-oxooctadecyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl oleate,2-(stearoyloxy)-1-[(stearoyloxy)methyl]ethyl octadec-9-enoate,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,54H,4-26,28-29,31-53H2,1-3H3",C57H108O6,,,,,,RBLADLVPSYELCA-IKPAITLHSA-N,,,,,,,,,,,
100.018.774,220-651-6,2847-30-5,2-methoxy-3-methylpyrazine,2-methoxy-3-methylpyrazine,COc1nccnc1C,COc1nccnc1C,"InChI=1/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3",C6H8N2O,,,,,,VKJIAEQRKBQLLA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.818,218-499-0,1/08/2164,Lenacil,"3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione",O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3,O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3,"InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)",C13H18N2O2,,,,,,ZTMKADLOSYKWCA-UHFFFAOYSA-N,Positive,SM842702;EA294901|EA294902|EA294903|EA294904|EA294905|EA294906|EA294907|EA294908|EA294909|EA294910|EA294911|EA294912|EA294913|EA294914;UF404701|UF404702|UF404703|UF404704,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,153.0658:235.1441:136.0393;153.0658|235.144:153.0659|153.0657:235.1443:83.0854|153.0657:83.0855:136.0396|153.0657:136.0393:135.0552|153.0657:136.0393:135.0553|153.0657:136.0393:135.0553|235.144:153.0658:135.0556|153.0659:235.1443:83.0856|153.0658:83.0856:235.1442|153.0658:136.0393:135.0553|153.0658:136.0393:135.0553|153.0657:136.0392:135.0553|153.0658;153.0658:72.0443:133.0075|72.0443:153.0658:136.0392|153.0657:72.0442:133.0074|153.0658:72.0442:133.0075,CASMI_2016;Eawag;UFZ,,,,,
100.017.109,218-818-3,2243-76-7,5-(p-nitrophenylazo)salicylic acid,2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)[N+]([O-])=O,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)[N+]([O-])=O,"InChI=1/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)",C13H9N3O5,,,,,,YVJPMMYYRNHJAU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.110,218-819-9,2243-80-3,3-nitrobenzophenone,(3-nitrophenyl)(phenyl)methanone,[O-][N+](=O)c1cccc(c1)C(=O)c2ccccc2,[O-][N+](=O)c1cccc(c1)C(=O)c2ccccc2,InChI=1/C13H9NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,C13H9NO3,,,,,,MFYLRNKOXORIPK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.111,218-820-4,2243-82-5,Naphthalene-2-carboxamide,2-naphthamide,NC(=O)c1ccc2ccccc2c1,NC(=O)c1ccc2ccccc2c1,"InChI=1/C11H9NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)",C11H9NO,,,,,,JVXXKQIRGQDWOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.120,218-830-9,2244-85-1,"4-hexyl-1,3-dioxane","4-hexyl-1,3-dioxane",CCCCCCC1CCOCO1,CCCCCCC1CCOCO1,"InChI=1/C10H20O2/c1-2-3-4-5-6-10-7-8-11-9-12-10/h10H,2-9H2,1H3",C10H20O2,,,,,,MNIXGQSLDFHHHN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.124,218-835-6,2246-42-6,2-methoxynaphthalen-1-amine,2-methoxynaphthalen-1-amine,COc1ccc2ccccc2c1N,COc1ccc2ccccc2c1N,"InChI=1/C11H11NO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,12H2,1H3",C11H11NO,,,,,,FAOJNWOJCPKVTM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.626,220-488-0,2782-91-4,Tetramethyl-2-thiourea,"1,1,3,3-tetramethylthiourea",CN(C)C(=S)N(C)C,CN(C)C(=S)N(C)C,InChI=1/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3,C5H12N2S,,,,,,MNOILHPDHOHILI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.633,220-495-9,2784-94-3,"2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bisethanol","2,2'-{[4-(methylamino)-3-nitrophenyl]imino}diethanol",CNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,CNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,"InChI=1/C11H17N3O4/c1-12-10-3-2-9(8-11(10)14(17)18)13(4-6-15)5-7-16/h2-3,8,12,15-16H,4-7H2,1H3",C11H17N3O4,,,,,,MWJSMPQOVHQYTE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.639,220-503-0,2785-98-0,"2,5-dimethoxybenzoic acid","2,5-dimethoxybenzoic acid",COc1ccc(OC)c(c1)C(=O)O,COc1ccc(OC)c(c1)C(=O)O,"InChI=1/C9H10O4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O4,,,,,,NYJBTJMNTNCTCP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.641,220-505-1,2786-31-4,3-methylbenzothiazolium iodide,"3-methyl-1,3-benzothiazol-3-ium iodide",[I-].C[n+]1csc2ccccc12,[I-].C[n+]1csc2ccccc12,"InChI=1/C8H8NS.HI/c1-9-6-10-8-5-3-2-4-7(8)9;/h2-6H,1H3;1H/q+1;/p-1",C8H8NS.I,,,,,,SGYIRNXZLWJMCR-UHFFFAOYSA-M,,,,,,,,,,,
100.018.644,220-508-8,2786-71-2,"1-amino-4-anilino-9,10-dihydro-9,10-dioxo-2-anthracenesulphonic acid","1-amino-4-anilino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccccc4)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccccc4)cc1S(=O)(=O)O,"InChI=1/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)",C20H14N2O5S,,,,,,OPBOOIFXQHPAPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.647,220-511-4,1/01/2787,Tetrakis(hydroxymethyl)urea,"1,1,3,3-tetrakis(hydroxymethyl)urea",OCN(CO)C(=O)N(CO)CO,OCN(CO)C(=O)N(CO)CO,"InChI=1/C5H12N2O5/c8-1-6(2-9)5(12)7(3-10)4-11/h8-11H,1-4H2",C5H12N2O5,,,,,,AKTDWFLTNDPLCH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.649,220-514-0,2787-63-5,Dinonyl fumarate,dinonyl but-2-enedioate,CCCCCCCCCOC(=O)\\C=C\\C(=O)OCCCCCCCCC,CCCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCCC,"InChI=1/C22H40O4/c1-3-5-7-9-11-13-15-19-25-21(23)17-18-22(24)26-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3",C22H40O4,,,,,,PQJYOOFQDXGDDS-ISLYRVAYSA-N,,,,,,,,,,,
100.018.652,220-517-7,2788-23-0,9-nitrosocarbazole,9-nitroso-9H-carbazole,O=Nn1c2ccccc2c3ccccc13,O=Nn1c2ccccc2c3ccccc13,InChI=1/C12H8N2O/c15-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,C12H8N2O,,,,,,XPKSVCWBMBPUPE-UHFFFAOYSA-N,,,,,,,,,,,
100.016.697,218-366-7,2134-91-0,4-hydroxy-5-methoxyisophthalic acid,4-hydroxy-5-methoxyisophthalic acid,COc1cc(cc(C(=O)O)c1O)C(=O)O,COc1cc(cc(C(=O)O)c1O)C(=O)O,"InChI=1/C9H8O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14)",C9H8O6,,,,,,NLSSJYQPZIQJNC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.701,218-370-9,2135-17-3,Flumetasone,"6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\\C(=O)/C=C3/[C@@H](F)C[C@@H]12,OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/[C@@H](F)C[C@@H]12,"InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3",C22H28F2O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14262,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.701,WXURHACBFYSXBI-GQKYHHCASA-N,Positive,mzcloud:2128,[M+H]+,HCD_Averaged,319.1915:371.1853:353.1759:335.1642:253.12231:235.1117:121.0648:91.0542:95.0491:105.0700,HighChem,,,,,
100.016.703,218-373-5,2136-71-2,2-(hexadecyloxy)ethanol,2-(hexadecyloxy)ethanol,CCCCCCCCCCCCCCCCOCCO,CCCCCCCCCCCCCCCCOCCO,"InChI=1/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h19H,2-18H2,1H3",C18H38O2,,,,,,FSAMVJAGJWGWTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.710,218-380-3,2138-20-7,4-cyclohexylresorcinol,"4-cyclohexylbenzene-1,3-diol",Oc1ccc(C2CCCCC2)c(O)c1,Oc1ccc(C2CCCCC2)c(O)c1,"InChI=1/C12H16O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h6-9,13-14H,1-5H2",C12H16O2,,,,,,LSEHCENPUMUIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.778,218-455-0,2155-73-9,Tributylstibine,tributylstibine,CCCC[Sb](CCCC)CCCC,CCCC[Sb](CCCC)CCCC,"InChI=1/3C4H9.Sb/c3*1-3-4-2;/h3*1,3-4H2,2H3;/rC12H27Sb/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27Sb,,,,,,BXJWDOYMROEHEN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.788,218-466-0,2157-16-6,Tetramethylene bis(chloroformate),"butane-1,4-diyl dichlorocarbonate",ClC(=O)OCCCCOC(=O)Cl,ClC(=O)OCCCCOC(=O)Cl,InChI=1/C6H8Cl2O4/c7-5(9)11-3-1-2-4-12-6(8)10/h1-4H2,C6H8Cl2O4,,,,,,AUKORMQZRYQYGI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.793,218-471-8,2157-52-0,9H-fluoren-9-one oxime,9H-fluoren-9-one oxime,ON=C1c2ccccc2c3ccccc13,ON=C1c2ccccc2c3ccccc13,"InChI=1/C13H9NO/c15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,15H",C13H9NO,,,,,,CRNNFEKVPRFZKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.796,218-474-4,3/02/2158,Morpholine-4-carboxamide,morpholine-4-carboxamide,NC(=O)N1CCOCC1,NC(=O)N1CCOCC1,"InChI=1/C5H10N2O2/c6-5(8)7-1-3-9-4-2-7/h1-4H2,(H2,6,8)",C5H10N2O2,,,,,,ZKWFSTHEYLJLEL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.802,218-481-2,2160-94-3,"Cyclohex-2-ene-1,1-dimethanol","cyclohex-2-ene-1,1-diyldimethanol",OCC1(CO)CCCC=C1,OCC1(CO)CCCC=C1,"InChI=1/C8H14O2/c9-6-8(7-10)4-2-1-3-5-8/h2,4,9-10H,1,3,5-7H2",C8H14O2,,,,,,QBRPPCVQOLMIJM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.808,218-488-0,2162-86-9,1-ethyl-3-methylpiperidine,1-ethyl-3-methylpiperidine,CCN1CCCC(C)C1,CCN1CCCC(C)C1,"InChI=1/C8H17N/c1-3-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3",C8H17N,,,,,,YSPBEFPTFBRJBH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.815,218-495-9,2163-80-6,Sodium methylarsonate,disodium methylarsonate,[Na+].[Na+].C[As](=O)([O-])[O-],[Na+].[Na+].C[As](=O)([O-])[O-],"InChI=1/CH5AsO3.2Na/c1-2(3,4)5;;/h1H3,(H2,3,4,5);;/q;2*+1/p-2",CH5AsO3.Na,,,,,,SDIXRDNYIMOKSG-UHFFFAOYSA-L,,,,,,,,,,,
100.021.515,223-665-0,4010-62-2,Methyl 3-[(phenylmethyl)amino]isobutyrate,methyl 3-(benzylamino)-2-methylpropanoate,COC(=O)C(C)CNCc1ccccc1,COC(=O)C(C)CNCc1ccccc1,"InChI=1/C12H17NO2/c1-10(12(14)15-2)8-13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3",C12H17NO2,,,,,,AMFQVMBTZNGVDU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.520,223-670-8,7/01/4016,2-hydroxy-3-methylbenzenesulphonic acid,2-hydroxy-3-methylbenzenesulfonic acid,Cc1cccc(c1O)S(=O)(=O)O,Cc1cccc(c1O)S(=O)(=O)O,"InChI=1/C7H8O4S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)",C7H8O4S,,,,,,ODEFERITUOZPHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.529,223-680-2,4017-88-3,"[1R-(1a,3a,4ß,6a)]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",CC1CC2C(CC1O)C2(C)C,CC1CC2C(CC1O)C2(C)C,"InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,WHXOMZVLSNHION-UHFFFAOYSA-N,,,,,,,,,,,
100.021.532,223-683-9,4020-99-9,Methoxydiphenylphosphine,methyl diphenylphosphinite,COP(c1ccccc1)c2ccccc2,COP(c1ccccc1)c2ccccc2,"InChI=1/C13H13OP/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",C13H13OP,,,,,,OAADXJFIBNEPLY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.540,223-692-8,4025-64-3,3-(chlorosulphonyl)benzoic acid,3-(chlorosulfonyl)benzoic acid,OC(=O)c1cccc(c1)S(=O)(=O)Cl,OC(=O)c1cccc(c1)S(=O)(=O)Cl,"InChI=1/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",C7H5ClO4S,,,,,,LMRKXSDOAFUINK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.184,222-201-4,3385-94-2,Hexamethyldisilathiane,hexamethyldisilathiane,C[Si](C)(C)S[Si](C)(C)C,C[Si](C)(C)S[Si](C)(C)C,"InChI=1/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",C6H18SSi2,,,,,,RLECCBFNWDXKPK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.186,222-204-0,7/04/3386,"11-ß,21-dihydroxy-6-a-methylpregna-4,17(20)-dien-3-one","11,21-dihydroxy-6-methylpregna-4,17-dien-3-one",C[C@H]1C[C@H]2[C@@H]3CC\\C(=C/CO)\\[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC\C(=C/CO)\[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14,"InChI=1/C22H32O3/c1-13-10-16-17-5-4-14(7-9-23)22(17,3)12-19(25)20(16)21(2)8-6-15(24)11-18(13)21/h7,11,13,16-17,19-20,23,25H,4-6,8-10,12H2,1-3H3",C22H32O3,,,,,,URZZKSAZQICNQI-ZOUALELVSA-N,,,,,,,,,,,
100.020.187,222-205-6,8/05/3386,"11ß,21-dihydroxy-6a-methylpregna-4,17(20)-dien-3-one 21-acetate","11-hydroxy-6-methyl-3-oxopregna-4,17-dien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3CC\\C(=C/COC(=O)C)\\[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC\C(=C/COC(=O)C)\[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14,"InChI=1/C24H34O4/c1-14-11-18-19-6-5-16(8-10-28-15(2)25)24(19,4)13-21(27)22(18)23(3)9-7-17(26)12-20(14)23/h8,12,14,18-19,21-22,27H,5-7,9-11,13H2,1-4H3",C24H34O4,,,,,,NLUGGDMYWGAERB-USGIVHHWSA-N,,,,,,,,,,,
100.020.188,222-206-1,3386-18-3,"3,6,9,12,15,18,21,24-octaoxahexacosane-1,26-diol","3,6,9,12,15,18,21,24-octaoxahexacosane-1,26-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2",C18H38O10,,,,,,YZUUTMGDONTGTN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.189,222-207-7,3386-33-2,1-chlorooctadecane,1-chlorooctadecane,CCCCCCCCCCCCCCCCCCCl,CCCCCCCCCCCCCCCCCCCl,"InChI=1/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3",C18H37Cl,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1479,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.189,VUQPJRPDRDVQMN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.708,244-794-9,22131-35-7,Butalamine,"N,N-dibutyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine",CCCCN(CCCC)CCNc1onc(n1)c2ccccc2,CCCCN(CCCC)CCNc1onc(n1)c2ccccc2,"InChI=1/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)",C18H28N4O,,,,,,VYWQZAARVNRSTR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.716,244-804-1,22144-77-0,"7(S),18(R)-dihydroxy-16(S),18-dimethyl-10-phenyl[11]cytochalasa-6(12),13(E),19(E)-triene-1,17-dione 21(R)-acetate","3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate",CC1CC=CC2C(O)C(=C)C(C)C3C(Cc4ccccc4)NC(=O)C23C(OC(=O)C)C=CC(C)(O)C1=O,CC1CC=CC2C(O)C(=C)C(C)C3C(Cc4ccccc4)NC(=O)C23C(OC(=O)C)C=CC(C)(O)C1=O,"InChI=1/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)",C30H37NO6,,,,,,SDZRWUKZFQQKKV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.725,244-814-6,22173-83-7,"Dimethyl(1-methyl-3,3-diphenylpropyl)ammonium chloride","N,N-dimethyl-4,4-diphenylbutan-2-aminium chloride",[Cl-].CC(CC(c1ccccc1)c2ccccc2)[NH+](C)C,[Cl-].CC(CC(c1ccccc1)c2ccccc2)[NH+](C)C,"InChI=1/C18H23N.ClH/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,15,18H,14H2,1-3H3;1H",C18H23N.ClH,,,,,,JCFRXWVRVBVWNY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.726,244-815-1,22174-70-5,"3,3'-[methylenebis(oxymethylene)]bisheptane","3,3'-[methylenebis(oxymethylene)]diheptane",CCCCC(CC)COCOCC(CC)CCCC,CCCCC(CC)COCOCC(CC)CCCC,"InChI=1/C17H36O2/c1-5-9-11-16(7-3)13-18-15-19-14-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3",C17H36O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11718,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.726,QPIWJVQXEMCELO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.730,244-819-3,22178-11-6,2-[1-[3-[2-[(dimethylamino)sulphonyl]-10H-phenothiazin-10-yl]propyl]-4-piperidyl]ethyl undec-10-enoate,2-(1-{3-[2-(dimethylsulfamoyl)-10H-phenothiazin-10-yl]propyl}piperidin-4-yl)ethyl undec-10-enoate,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCOC(=O)CCCCCCCCC=C)CC4)c2c1,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCOC(=O)CCCCCCCCC=C)CC4)c2c1,"InChI=1/C35H51N3O4S2/c1-4-5-6-7-8-9-10-11-17-35(39)42-27-22-29-20-25-37(26-21-29)23-14-24-38-31-15-12-13-16-33(31)43-34-19-18-30(28-32(34)38)44(40,41)36(2)3/h4,12-13,15-16,18-19,28-29H,1,5-11,14,17,20-27H2,2-3H3",C35H51N3O4S2,,,,,,MFSGYRRYJFCADI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.731,244-820-9,22179-72-2,4-fluorothiobenzamide,4-fluorobenzenecarbothioamide,NC(=S)c1ccc(F)cc1,NC(=S)c1ccc(F)cc1,"InChI=1/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)",C7H6FNS,,,,,,VQFOHZWOKJQOGO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.733,244-823-5,22184-93-6,N-(2-hydroxyethyl)-m-nitrobenzenesulphonamide,N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide,OCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-],OCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C8H10N2O5S/c11-5-4-9-16(14,15)8-3-1-2-7(6-8)10(12)13/h1-3,6,9,11H,4-5H2",C8H10N2O5S,,,,,,JVJNXCUFDJYKJN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.736,244-826-1,22185-52-0,"3-benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc4ccccc4,CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc4ccccc4,"InChI=1/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3",C21H25NO,,,,,,RPMPAQXGZYLEST-UHFFFAOYSA-N,,,,,,,,,,,
100.040.739,244-829-8,22190-40-5,"1-acetyl-6-bromo-1,2,3,4-tetrahydroquinoline","1-acetyl-6-bromo-1,2,3,4-tetrahydroquinoline",CC(=O)N1CCCc2cc(Br)ccc12,CC(=O)N1CCCc2cc(Br)ccc12,"InChI=1/C11H12BrNO/c1-8(14)13-6-2-3-9-7-10(12)4-5-11(9)13/h4-5,7H,2-3,6H2,1H3",C11H12BrNO,,,,,,BHQKJGRWIRTURN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.318,248-766-7,27990-92-7,"4,4'-iminobisbenzenediazonium hydrogen sulphate","4,4'-iminodibenzenediazonium sulfate",[O-]S(=O)(=O)[O-].N#[N+]c1ccc(Nc2ccc(cc2)[N+]#N)cc1,[O-]S(=O)(=O)[O-].N#[N+]c1ccc(Nc2ccc(cc2)[N+]#N)cc1,"InChI=1/C12H9N5.H2O4S/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;1-5(2,3)4/h1-8,15H;(H2,1,2,3,4)/q+2;/p-2",C12H9N5.O4S,,,,,,PWNPMMOHQMWVPP-UHFFFAOYSA-L,,,,,,,,,,,
100.044.319,248-767-2,27992-31-0,"5,6-dimethyl-2-pyridone","5,6-dimethylpyridin-2(1H)-one",CC1=C(C)C=CC(=O)N1,CC1=C(C)C=CC(=O)N1,"InChI=1/C7H9NO/c1-5-3-4-7(9)8-6(5)2/h3-4H,1-2H3,(H,8,9)",C7H9NO,,,,,,MIMWDGDLJCJLQS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.330,248-779-8,28016-01-5,Tetrafluorobenzene,"1,2,3,4-tetrafluorobenzene",Fc1ccc(F)c(F)c1F,Fc1ccc(F)c(F)c1F,InChI=1/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,C6H2F4,,,,,,SOZFIIXUNAKEJP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.332,248-781-9,28020-36-2,"N2-methylpyridine-2,5-diamine","N~2~-methylpyridine-2,5-diamine",CNc1ccc(N)cn1,CNc1ccc(N)cn1,"InChI=1/C6H9N3/c1-8-6-3-2-5(7)4-9-6/h2-4H,7H2,1H3,(H,8,9)",C6H9N3,,,,,,XKEDDRXJMAVORI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.334,248-784-5,28024-16-0,Ethyl isopentyl succinate,ethyl 3-methylbutyl succinate,CCOC(=O)CCC(=O)OCCC(C)C,CCOC(=O)CCC(=O)OCCC(C)C,"InChI=1/C11H20O4/c1-4-14-10(12)5-6-11(13)15-8-7-9(2)3/h9H,4-8H2,1-3H3",C11H20O4,,,,,,GCXHTVAWZRIFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.335,248-785-0,28024-60-4,(±)-a-amino-1H-pyrazole-1-propionic acid,3-(1H-pyrazol-1-yl)alanine,NC(Cn1cccn1)C(=O)O,NC(Cn1cccn1)C(=O)O,"InChI=1/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)",C6H9N3O2,,,,,,PIGOPELHGLPKLL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.823,218-505-1,2166-31-6,6-phenylpyridazin-3(2H)-one,6-phenylpyridazin-3(2H)-one,O=C1NN=C(C=C1)c2ccccc2,O=C1NN=C(C=C1)c2ccccc2,"InChI=1/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)",C10H8N2O,,,,,,IJUIPRDMWWBTTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.836,218-519-8,4/09/2170,N-methyl-2-toluamide,"N,2-dimethylbenzamide",CNC(=O)c1ccccc1C,CNC(=O)c1ccccc1C,"InChI=1/C9H11NO/c1-7-5-3-4-6-8(7)9(11)10-2/h3-6H,1-2H3,(H,10,11)",C9H11NO,,,,,,OABGZRFNYNFHCS-UHFFFAOYSA-N,,,,,,,,,,,
100.016.837,218-520-3,2170-58-3,"(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)[2-(2,6-dimethoxyphenoxy)ethyl]ammonium chloride","N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium chloride",[Cl-].COc1cccc(OC)c1OCC[NH2+]CC2COc3ccccc3O2,[Cl-].COc1cccc(OC)c1OCC[NH2+]CC2COc3ccccc3O2,"InChI=1/C19H23NO5.ClH/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14;/h3-9,14,20H,10-13H2,1-2H3;1H",C19H23NO5.ClH,,,,,,KAHMEWANVDFFCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.838,218-521-9,2171-74-6,"1,3-benzodioxol-2-one","1,3-benzodioxol-2-one",O=C1Oc2ccccc2O1,O=C1Oc2ccccc2O1,InChI=1/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,C7H4O3,,,,,,NZPSDGIEKAQVEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.839,218-522-4,2171-98-4,Zirconium(4+) propan-2-olate,zirconium(4+) tetrapropan-2-olate,[Zr+4].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-],[Zr+4].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-],"InChI=1/4C3H7O.Zr/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4",C3H8O.1/4Zr,,,,,,ZGSOBQAJAUGRBK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.841,218-525-0,2172-49-8,"3,3,3-tris(p-chlorophenyl)propionyl chloride","3,3,3-tris(4-chlorophenyl)propanoyl chloride",ClC(=O)CC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,ClC(=O)CC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,"InChI=1/C21H14Cl4O/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2",C21H14Cl4O,,,,,,FPBMIAQHNZESKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.843,218-527-1,2172-93-2,"5-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline","5-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline",CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+](=O)[O-],CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+](=O)[O-],"InChI=1/C14H12Cl2N2O3/c1-17(2)13-7-11(16)12(18(19)20)8-14(13)21-10-5-3-9(15)4-6-10/h3-8H,1-2H3",C14H12Cl2N2O3,,,,,,JINQDCMMKVLQEW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.850,218-535-5,2176-62-7,Pentachloropyridine,pentachloropyridine,Clc1nc(Cl)c(Cl)c(Cl)c1Cl,Clc1nc(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8,C5Cl5N,,,,,,DNDPLEAVNVOOQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.857,218-542-3,2177-70-0,Phenyl methacrylate,phenyl methacrylate,CC(=C)C(=O)Oc1ccccc1,CC(=C)C(=O)Oc1ccccc1,"InChI=1/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3",C10H10O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17121,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.857,QIWKUEJZZCOPFV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.865,218-551-2,2179-60-4,Methyl propyl disulphide,1-(methyldisulfanyl)propane,CCCSSC,CCCSSC,"InChI=1/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3",C4H10S2,,,,,,PUCHCUYBORIUSM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.563,223-718-8,4035-89-6,"1,3,5-tris(6-isocyanatohexyl)biuret","N,N,N'-tris(6-isocyanatohexyl)dicarbonimidic diamide",O=C=NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O,O=C=NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O,"InChI=1/C23H38N6O5/c30-19-24-13-7-1-3-10-16-27-22(33)29(18-12-6-5-9-15-26-21-32)23(34)28-17-11-4-2-8-14-25-20-31/h1-18H2,(H,27,33)(H,28,34)",C23H38N6O5,,,,,,QKOWXXDOHMJOMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.566,223-721-4,4036-89-9,"4-bromo-2'-(diethylamino)-3,5-dihydroxybenzylanilide","4-bromo-N-[2-(diethylamino)phenyl]-3,5-dihydroxybenzamide",CCN(CC)c1ccccc1NC(=O)c2cc(O)c(Br)c(O)c2,CCN(CC)c1ccccc1NC(=O)c2cc(O)c(Br)c(O)c2,"InChI=1/C17H19BrN2O3/c1-3-20(4-2)13-8-6-5-7-12(13)19-17(23)11-9-14(21)16(18)15(22)10-11/h5-10,21-22H,3-4H2,1-2H3,(H,19,23)",C17H19BrN2O3,,,,,,GWBLGMCMQCZIAU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.581,223-738-7,4043-88-3,"(S)-2,5-dihydro-1H-pyrrole-2-carboxylic acid","2,5-dihydro-1H-pyrrole-2-carboxylic acid",OC(=O)[C@H]1NCC=C1,OC(=O)[C@H]1NCC=C1,"InChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)",C5H7NO2,,,,,,OMGHIGVFLOPEHJ-BYPYZUCNSA-N,,,,,,,,,,,
100.021.583,223-740-8,4044-60-4,"2,5-dimethylbenzophenone","(2,5-dimethylphenyl)(phenyl)methanone",Cc1ccc(C)c(c1)C(=O)c2ccccc2,Cc1ccc(C)c(c1)C(=O)c2ccccc2,"InChI=1/C15H14O/c1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3",C15H14O,,,,,,PJCBRWRFLHBSNH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.587,223-745-5,4046-02-0,Ethyl 4'-hydroxy-3'-methoxycinnamate,ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate,CCOC(=O)C=Cc1ccc(O)c(OC)c1,CCOC(=O)C=Cc1ccc(O)c(OC)c1,"InChI=1/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3",C12H14O4,,,,,,ATJVZXXHKSYELS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.590,223-748-1,4048-33-3,6-aminohexan-1-ol,6-aminohexan-1-ol,NCCCCCCO,NCCCCCCO,"InChI=1/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2",C6H15NO,,,,,,SUTWPJHCRAITLU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.591,223-749-7,4048-42-4,Dodecen-3-ol,dodec-1-en-3-ol,CCCCCCCCCC(O)C=C,CCCCCCCCCC(O)C=C,"InChI=1/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h4,12-13H,2-3,5-11H2,1H3",C12H24O,,,,,,NJRDPOCRDOOHLF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.714,218-385-0,2138-48-9,3-isopropylpyrocatechol,"3-isopropylbenzene-1,2-diol",CC(C)c1cccc(O)c1O,CC(C)c1cccc(O)c1O,"InChI=1/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3",C9H12O2,,,,,,XLZHGKDRKSKCAU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.717,218-388-7,6/11/2140,"2',3'-isopropylideneinosine","2-(hydroxymethyl)-4-(6-hydroxy-9H-purin-9-yl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol",CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](n3cnc4c(O)ncnc34)[C@@]12O,CC1(C)[C@@]2(O)[C@@H](CO)O[C@@H](n3cnc4c(O)ncnc34)[C@@]12O,"InChI=1/C13H16N4O5/c1-11(2)12(20)6(3-18)22-10(13(11,12)21)17-5-16-7-8(17)14-4-15-9(7)19/h4-6,10,18,20-21H,3H2,1-2H3,(H,14,15,19)",C13H16N4O5,,,,,,UJEJQRXYNQBCMG-GDQJLZBOSA-N,,,,,,,,,,,
100.016.719,218-390-8,2140-61-6,5-methylcytidine,5-methylcytidine,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N,"InChI=1/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)",C10H15N3O5,,,,,,ZAYHVCMSTBRABG-JXOAFFINSA-N,,,,,,,,,,,
100.016.721,218-392-9,2141-42-6,"1,2,3,4-tetrahydroanthracene","1,2,3,4-tetrahydroanthracene",C1CCc2cc3ccccc3cc2C1,C1CCc2cc3ccccc3cc2C1,"InChI=1/C14H14/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5-6,9-10H,3-4,7-8H2",C14H14,,,,,,XBDYBAVJXHJMNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.726,218-398-1,2142-69-0,2'-bromoacetophenone,1-(2-bromophenyl)ethanone,CC(=O)c1ccccc1Br,CC(=O)c1ccccc1Br,"InChI=1/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3",C8H7BrO,,,,,,PIMNFNXBTGPCIL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.728,218-400-0,2142-76-9,"2',6'-dimethylacetophenone","1-(2,6-dimethylphenyl)ethanone",CC(=O)c1c(C)cccc1C,CC(=O)c1c(C)cccc1C,"InChI=1/C10H12O/c1-7-5-4-6-8(2)10(7)9(3)11/h4-6H,1-3H3",C10H12O,,,,,,DDXBCZCBZGPSHD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.733,218-405-8,2144-37-8,Methyl 5-(chloromethyl)-2-furoate,methyl 5-(chloromethyl)-2-furoate,COC(=O)c1oc(CCl)cc1,COC(=O)c1oc(CCl)cc1,"InChI=1/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3",C7H7ClO3,,,,,,PWXMEBZOKUPCST-UHFFFAOYSA-N,,,,,,,,,,,
100.016.734,218-406-3,2144-45-8,Bisbenzyl peroxydicarbonate,benzyl (benzylperoxy)carbonyl carbonate,O=C(OCc1ccccc1)OC(=O)OOCc2ccccc2,O=C(OCc1ccccc1)OC(=O)OOCc2ccccc2,"InChI=1/C16H14O6/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)22-20-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C16H14O6,,,,,,QEJPDHBZQZVCEM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.742,218-415-2,2147-83-3,"1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one","1-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one",O=C1Nc2ccccc2N1C3=CCNCC3,O=C1Nc2ccccc2N1C3=CCNCC3,"InChI=1/C12H13N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,16)",C12H13N3O,,,,,,YFEOSTXFQCDCAR-UHFFFAOYSA-N,,,,,,,,,,,
100.022.321,224-551-3,4405-13-4,"Perhydrodioxino[2,3-b][1,4]dioxin-2,3,6,7-tetraol","hexahydro[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol",OC1OC2OC(O)C(O)OC2OC1O,OC1OC2OC(O)C(O)OC2OC1O,InChI=1/C6H10O8/c7-1-2(8)12-6-5(11-1)13-3(9)4(10)14-6/h1-10H,C6H10O8,,,,,,BDSPTFQIOAEIII-UHFFFAOYSA-N,,,,,,,,,,,
100.022.327,224-558-1,4408-78-0,Phosphonoacetic acid,phosphonoacetic acid,OC(=O)CP(=O)(O)O,OC(=O)CP(=O)(O)O,"InChI=1/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",C2H5O5P,,,,,,XUYJLQHKOGNDPB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.329,224-560-2,4/11/4409,4-(4'-chlorobenzyl)pyridine,4-(4-chlorobenzyl)pyridine,Clc1ccc(Cc2ccncc2)cc1,Clc1ccc(Cc2ccncc2)cc1,"InChI=1/C12H10ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9H2",C12H10ClN,,,,,,OHKBVLWPESSWKC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.335,224-567-0,4411-89-6,2-phenylcrotonaldehyde,2-phenylbut-2-enal,C\\C=C(\\C=O)/c1ccccc1,C\C=C(\C=O)/c1ccccc1,"InChI=1/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3",C10H10O,,,,,,DYAOGZLLMZQVHY-MBXJOHMKSA-N,,,,,,,,,,,
100.022.342,224-574-9,4414-88-4,(benzimidazol-2-yl)ethanenitrile,1H-benzimidazol-2-ylacetonitrile,N#CCc1nc2ccccc2[nH]1,N#CCc1nc2ccccc2[nH]1,"InChI=1/C9H7N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2,(H,11,12)",C9H7N3,,,,,,BWOVACANEIVHST-UHFFFAOYSA-N,,,,,,,,,,,
100.022.343,224-575-4,4415-82-1,Cyclobutanemethanol,cyclobutylmethanol,OCC1CCC1,OCC1CCC1,"InChI=1/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2",C5H10O,,,,,,WPOPOPFNZYPKAV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.344,224-577-5,4415-87-6,"Tetrahydrocyclobuta[1,2-c:3,4-c']difuran-1,3,4,6-tetraone","tetrahydrocyclobuta[1,2-c:3,4-c']difuran-1,3,4,6-tetrone",O=C1OC(=O)C2C3C(C12)C(=O)OC3=O,O=C1OC(=O)C2C3C(C12)C(=O)OC3=O,InChI=1/C8H4O6/c9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12/h1-4H,C8H4O6,,,,,,YGYCECQIOXZODZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.354,224-588-5,4420-74-0,3-trimethoxysilylpropane-1-thiol,3-(trimethoxysilyl)propane-1-thiol,CO[Si](CCCS)(OC)OC,CO[Si](CCCS)(OC)OC,"InChI=1/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3",C6H16O3SSi,,,,,,UUEWCQRISZBELL-UHFFFAOYSA-N,,,,,,,,,,,
100.022.355,224-589-0,3/08/4421,4-hydroxy-3-methoxybenzonitrile,4-hydroxy-3-methoxybenzonitrile,COc1cc(ccc1O)C#N,COc1cc(ccc1O)C#N,"InChI=1/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3",C8H7NO2,,,,,,QJRWLNLUIAJTAD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.190,222-208-2,3386-87-6,"3,3'-(ethylenedioxy)dipropiononitrile","3,3'-[ethane-1,2-diylbis(oxy)]dipropanenitrile",N#CCCOCCOCCC#N,N#CCCOCCOCCC#N,"InChI=1/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2",C8H12N2O2,,,,,,VTHRQKSLPFJQHN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.191,222-209-8,3386-97-8,3-butenyl isothiocyanate,4-isothiocyanatobut-1-ene,C=CCCN=C=S,C=CCCN=C=S,"InChI=1/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2",C5H7NS,,,,,,SKIHGKNFJKJXPX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.193,222-211-9,3387-36-8,Disodium uridine-5'-monophosphate,"disodium 1-(5-O-phosphonatopentofuranosyl)pyrimidine-2,4(1H,3H)-dione",OC1C(O)C(OC1COP(=O)(O[Na])O[Na])N2C=CC(=O)NC2=O,OC1C(O)C(OC1COP(=O)(O[Na])O[Na])N2C=CC(=O)NC2=O,"InChI=1/C9H13N2O9P.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/rC9H11N2Na2O9P/c12-21-23(18,22-13)19-3-4-6(15)7(16)8(20-4)11-2-1-5(14)10-9(11)17/h1-2,4,6-8,15-16H,3H2,(H,10,14,17)",C9H13N2O9P.2Na,,,,,,KURVIXMFFSNONZ-UHFFFAOYSA-L,,,,,,,,,,,
100.020.194,222-212-4,3387-41-5,Thuj-4(10)-ene,1-isopropyl-4-methylenebicyclo[3.1.0]hexane,CC(C)C12CCC(=C)C1C2,CC(C)C12CCC(=C)C1C2,"InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3",C10H16,,,,,,NDVASEGYNIMXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.206,222-226-0,3391-86-4,Oct-1-ene-3-ol,oct-1-en-3-ol,CCCCCC(O)C=C,CCCCCC(O)C=C,"InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",C8H16O,,,,,,VSMOENVRRABVKN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.210,222-230-2,2/07/3392,"tert-butyl [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]carbamate","2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)glycinate",CC(C)(C)OC(=O)NCC(=O)ON1C(=O)CCC1=O,CC(C)(C)OC(=O)NCC(=O)ON1C(=O)CCC1=O,"InChI=1/C11H16N2O6/c1-11(2,3)18-10(17)12-6-9(16)19-13-7(14)4-5-8(13)15/h4-6H2,1-3H3,(H,12,17)",C11H16N2O6,,,,,,LJCWRJYVPJJTMB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.213,222-233-9,7/10/3392,"tert-butyl (S)-2-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]pyrrolidine-1-carboxylate","2,5-dioxopyrrolidin-1-yl 1-(tert-butoxycarbonyl)-L-prolinate",CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON2C(=O)CCC2=O,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON2C(=O)CCC2=O,"InChI=1/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h9H,4-8H2,1-3H3",C14H20N2O6,,,,,,DICWIJISMKZDDY-VIFPVBQESA-N,,,,,,,,,,,
100.020.218,222-239-1,3393-72-4,"8-amino-3,4-dimethylquinoline","3,4-dimethylquinolin-8-amine",Cc1cnc2c(N)cccc2c1C,Cc1cnc2c(N)cccc2c1C,"InChI=1/C11H12N2/c1-7-6-13-11-9(8(7)2)4-3-5-10(11)12/h3-6H,12H2,1-2H3",C11H12N2,,,,,,ZFENFGROVBOJMF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.219,222-240-7,3393-78-0,Bis(4-bromophenyl) sulphide,"1,1'-sulfanediylbis(4-bromobenzene)",Brc1ccc(Sc2ccc(Br)cc2)cc1,Brc1ccc(Sc2ccc(Br)cc2)cc1,InChI=1/C12H8Br2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,C12H8Br2S,,,,,,CLPVCAXOQZIJGW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.228,218-950-1,2300-16-5,"3,6-dinitrophthalic acid","3,6-dinitrophthalic acid",OC(=O)c1c(C(=O)O)c(ccc1[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1c(C(=O)O)c(ccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H4N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-2H,(H,11,12)(H,13,14)",C8H4N2O8,,,,,,MZDSOZBFTCRKNT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.231,218-953-8,2302-17-2,Sodium methyl [(4-aminophenyl)sulphonyl]carbamate,sodium {[(4-aminophenyl)sulfonyl]imino}(methoxy)methanolate,[Na+].O=S(=O)(/N=C(\\[O-])OC)c1ccc(N)cc1,[Na+].O=S(=O)(/N=C(\[O-])OC)c1ccc(N)cc1,"InChI=1/C8H10N2O4S.Na/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1",C8H10N2O4S.Na,,,,,,PEXLHWBDBQUUOG-UHFFFAOYSA-M,,,,,,,,,,,
100.017.234,218-956-4,2302-88-7,1-(acetyl)thiosemicarbazide,2-acetylhydrazinecarbothioamide,CC(=O)NNC(=S)N,CC(=O)NNC(=S)N,"InChI=1/C3H7N3OS/c1-2(7)5-6-3(4)8/h1H3,(H,5,7)(H3,4,6,8)",C3H7N3OS,,,,,,NSIMQTOXNOFWBP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.242,218-965-3,2304-83-8,"Chrysene-1,2-quinone","chrysene-1,2-dione",O=C1C=Cc2c(ccc3c2ccc4ccccc34)C1=O,O=C1C=Cc2c(ccc3c2ccc4ccccc34)C1=O,InChI=1/C18H10O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10H,C18H10O2,,,,,,KXQDINHHHLYVOC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.244,218-967-4,2304-94-1,N-benzyloxycarbonyl-ß-alanine,N-[(benzyloxy)carbonyl]-beta-alanine,OC(=O)CCNC(=O)OCc1ccccc1,OC(=O)CCNC(=O)OCc1ccccc1,"InChI=1/C11H13NO4/c13-10(14)6-7-12-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)(H,13,14)",C11H13NO4,,,,,,GEVGRLPYQJTKKS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.245,218-969-5,2304-96-3,N2-[(phenylmethoxy)carbonyl]-L-asparagine,N~2~-[(benzyloxy)carbonyl]-L-asparagine,NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O,NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)",C12H14N2O5,,,,,,FUCKRCGERFLLHP-VIFPVBQESA-N,,,,,,,,,,,
100.017.246,218-970-0,2304-98-5,N5-[imino(nitroamino)methyl]-N2-[(phenylmethoxy)carbonyl]-L-ornithine,N~2~-[(benzyloxy)carbonyl]-N~5~-(nitrocarbamimidoyl)-D-ornithine,OC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)OCc1ccccc1,OC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)OCc1ccccc1,"InChI=1/C14H19N5O6/c15-13(18-19(23)24)16-8-4-7-11(12(20)21)17-14(22)25-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,22)(H,20,21)(H3,15,16,18)",C14H19N5O6,,,,,,BZPCSFNCKORLQG-NSHDSACASA-N,,,,,,,,,,,
100.044.336,248-786-6,28025-23-2,1-(allyloxy)-3-methoxypropan-2-ol,1-(allyloxy)-3-methoxypropan-2-ol,COCC(O)COCC=C,COCC(O)COCC=C,"InChI=1/C7H14O3/c1-3-4-10-6-7(8)5-9-2/h3,7-8H,1,4-6H2,2H3",C7H14O3,,,,,,DAJQDKKDVFBUTA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.347,248-798-1,28048-94-4,Isobutyl 3-phenylpropionate,isobutyl 3-phenylpropanoate,CC(C)COC(=O)CCc1ccccc1,CC(C)COC(=O)CCc1ccccc1,"InChI=1/C13H18O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",C13H18O2,,,,,,NIKMBMUTZWKICN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.352,248-803-7,28056-59-9,4-hydroperoxy-4-methylpentan-2-one,4-hydroperoxy-4-methylpentan-2-one,CC(=O)CC(C)(C)OO,CC(=O)CC(C)(C)OO,"InChI=1/C6H12O3/c1-5(7)4-6(2,3)9-8/h8H,4H2,1-3H3",C6H12O3,,,,,,TVLYPTZVJFAYSU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.353,248-804-2,28056-87-3,"2-ethyl-N,N-dimethylhexylamine","2-ethyl-N,N-dimethylhexan-1-amine",CCCCC(CC)CN(C)C,CCCCC(CC)CN(C)C,"InChI=1/C10H23N/c1-5-7-8-10(6-2)9-11(3)4/h10H,5-9H2,1-4H3",C10H23N,,,,,,OQADVBLQZQTGLL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.354,248-805-8,28058-62-0,"1'-[3-(3-chloro-10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl][1,4'-bipiperidine]-4'-carboxamide dihydrochloride","1'-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-1,4'-bipiperidine-4'-carboxamide dihydrochloride",Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5,Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5,"InChI=1/C28H37ClN4O.2ClH/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H",C28H37ClN4O.2ClH,,,,,,UUTRFZNTTSPNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.036,246-256-9,24447-99-2,4-(methylamino)benzenesulphonic acid,4-(methylamino)benzenesulfonic acid,CNc1ccc(cc1)S(=O)(=O)O,CNc1ccc(cc1)S(=O)(=O)O,"InChI=1/C7H9NO3S/c1-8-6-2-4-7(5-3-6)12(9,10)11/h2-5,8H,1H3,(H,9,10,11)",C7H9NO3S,,,,,,QRAXZXPSAGQUNP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.043,246-264-2,24448-60-0,"Sodium 1-amino-4-[4-(2-chloroacetamido)anilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphate","sodium 1-amino-4-({4-[(chloroacetyl)amino]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)CCl)cc4)cc1S(=O)(=O)O[Na],Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)CCl)cc4)cc1S(=O)(=O)O[Na],"InChI=1/C22H16ClN3O6S.Na/c23-10-17(27)26-12-7-5-11(6-8-12)25-15-9-16(33(30,31)32)20(24)19-18(15)21(28)13-3-1-2-4-14(13)22(19)29;/h1-9,25H,10,24H2,(H,26,27)(H,30,31,32);/q;+1/p-1/rC22H15ClN3NaO6S/c23-10-17(28)26-12-7-5-11(6-8-12)25-15-9-16(34(31,32)33-27)20(24)19-18(15)21(29)13-3-1-2-4-14(13)22(19)30/h1-9,25H,10,24H2,(H,26,28)",C22H16ClN3O6S.Na,,,,,,IMCFOGGSTQCWBU-UHFFFAOYSA-M,,,,,,,,,,,
100.042.049,246-271-0,24460-07-9,"6'-(diethylamino)-2'-(methylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-2'-(methylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(NC)cc3C24OC(=O)c5ccccc45)c1,CCN(CC)c1ccc2c(Oc3ccc(NC)cc3C24OC(=O)c5ccccc45)c1,"InChI=1/C25H24N2O3/c1-4-27(5-2)17-11-12-20-23(15-17)29-22-13-10-16(26-3)14-21(22)25(20)19-9-7-6-8-18(19)24(28)30-25/h6-15,26H,4-5H2,1-3H3",C25H24N2O3,,,,,,YDRFEYUCIQSKNK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.051,246-273-1,24461-61-8,Methyl (R)-aminophenylacetate,methyl amino(phenyl)acetate,COC(=O)[C@H](N)c1ccccc1,COC(=O)[C@H](N)c1ccccc1,"InChI=1/C9H11NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,10H2,1H3",C9H11NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11350,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.051,BHFLUDRTVIDDOR-MRVPVSSYSA-N,,,,,,,,,,,
100.042.053,246-275-2,24464-64-0,"3-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthryl]amino]-N-phenylpropionamide","N~3~-[4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-N-phenyl-beta-alaninamide",O=C(CCNc1ccc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13)Nc5ccccc5,O=C(CCNc1ccc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13)Nc5ccccc5,"InChI=1/C29H29N3O3/c33-25(32-20-11-5-2-6-12-20)17-18-30-23-15-16-24(31-19-9-3-1-4-10-19)27-26(23)28(34)21-13-7-8-14-22(21)29(27)35/h2,5-8,11-16,19,30-31H,1,3-4,9-10,17-18H2,(H,32,33)",C29H29N3O3,,,,,,BSGWMUMCNMCWCW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.061,246-284-1,24483-44-1,N-[2-[(4-chlorophenyl)methylamino]ethyl]benzamide,N-{2-[(4-chlorobenzyl)amino]ethyl}benzamide,Clc1ccc(CNCCNC(=O)c2ccccc2)cc1,Clc1ccc(CNCCNC(=O)c2ccccc2)cc1,"InChI=1/C16H17ClN2O/c17-15-8-6-13(7-9-15)12-18-10-11-19-16(20)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,19,20)",C16H17ClN2O,,,,,,ODAVENSIVQSUOM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.064,246-287-8,24493-53-6,"1,3-propanediyl diacrylate","propane-1,3-diyl bisacrylate",C=CC(=O)OCCCOC(=O)C=C,C=CC(=O)OCCCOC(=O)C=C,"InChI=1/C9H12O4/c1-3-8(10)12-6-5-7-13-9(11)4-2/h3-4H,1-2,5-7H2",C9H12O4,,,,,,GFLJTEHFZZNCTR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.065,246-288-3,24493-59-2,2-[2-(2-methoxyethoxy)ethoxy]ethyl methacrylate,2-[2-(2-methoxyethoxy)ethoxy]ethyl methacrylate,COCCOCCOCCOC(=O)C(=C)C,COCCOCCOCCOC(=O)C(=C)C,"InChI=1/C11H20O5/c1-10(2)11(12)16-9-8-15-7-6-14-5-4-13-3/h1,4-9H2,2-3H3",C11H20O5,,,,,,OBBZSGOPJQSCNY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.592,223-750-2,4049-34-7,Tetra-O-acetyl-ß-D-ribopyranose,"1,2,3,4-tetra-O-acetyl-beta-D-ribopyranose",CC(=O)O[C@@H]1CO[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)O[C@@H]1CO[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3",C13H18O9,,,,,,MJOQJPYNENPSSS-LPWJVIDDSA-N,,,,,,,,,,,
100.021.595,223-753-9,5/08/4051,"trans-2,5-dimethyl-1,3-dioxolan-4-one","2,5-dimethyl-1,3-dioxolan-4-one",C[C@H]1O[C@H](C)C(=O)O1,C[C@H]1O[C@H](C)C(=O)O1,"InChI=1/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3",C5H8O3,,,,,,HZEDJCAGLIJEAI-DMTCNVIQSA-N,,,,,,,,,,,
100.021.596,223-754-4,4051-63-2,"4,4'-diamino[1,1'-bianthracene]-9,9',10,10'-tetraone","4,4'-diamino-1,1'-bianthracene-9,9',10,10'-tetrone",Nc1ccc(c2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c5C(=O)c6ccccc6C(=O)c15,Nc1ccc(c2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c5C(=O)c6ccccc6C(=O)c15,"InChI=1/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2",C28H16N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5631,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.596,KNMQFBWXSICVQC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.597,223-756-5,4052-30-6,p-(methylsulphonyl)benzoic acid,4-(methylsulfonyl)benzoic acid,CS(=O)(=O)c1ccc(cc1)C(=O)O,CS(=O)(=O)c1ccc(cc1)C(=O)O,"InChI=1/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O4S,,,,,,AJBWNNKDUMXZLM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.600,223-759-1,4052-92-0,3-(chlorosulphonyl)benzoyl chloride,3-(chlorosulfonyl)benzoyl chloride,ClC(=O)c1cccc(c1)S(=O)(=O)Cl,ClC(=O)c1cccc(c1)S(=O)(=O)Cl,"InChI=1/C7H4Cl2O3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H",C7H4Cl2O3S,,,,,,XWEBTVZIZWEJOO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.601,223-760-7,1/08/4053,"4-chloronaphthalene-1,8-dicarboxylic anhydride","8,8'-(oxydicarbonyl)bis(5-chloro-1-naphthoic acid)",OC(=O)c1cccc2c(Cl)ccc(C(=O)OC(=O)c3ccc(Cl)c4cccc(C(=O)O)c34)c12,OC(=O)c1cccc2c(Cl)ccc(C(=O)OC(=O)c3ccc(Cl)c4cccc(C(=O)O)c34)c12,"InChI=1/C24H12Cl2O7/c25-17-9-7-15(19-11(17)3-1-5-13(19)21(27)28)23(31)33-24(32)16-8-10-18(26)12-4-2-6-14(20(12)16)22(29)30/h1-10H,(H,27,28)(H,29,30)",C12H5ClO3,,,,,,JSWNVSGYCLIEEY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.603,223-762-8,4054-38-0,"Cyclohepta-1,3-diene","cyclohepta-1,3-diene",C1CC=CC=CC1,C1CC=CC=CC1,"InChI=1/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2",C7H10,,,,,,GWYPDXLJACEENP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.607,223-767-5,4058-46-2,"1,1',2,2'-tetrahydro[2,2'-bi-3H-indole]-3,3'-dione","1,1',2,2'-tetrahydro-3H,3'H-2,2'-biindole-3,3'-dione",O=C1C(Nc2ccccc12)C3Nc4ccccc4C3=O,O=C1C(Nc2ccccc12)C3Nc4ccccc4C3=O,"InChI=1/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,13-14,17-18H",C16H12N2O2,,,,,,JOTRJOWDDJFASP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.610,223-770-1,4062-78-6,Sodium methyl 2-sulphooctadecanoate,-,[Na+].CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,[Na+].CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C19H38O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(20)24-2)25(21,22)23;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1",C19H38O5S.Na,,,,,,SYHQWIKCJFYHDC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.234,222-256-4,3397-35-1,"Benzyl (S)-[1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-3-methylbutyl]carbamate","2,5-dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]-L-leucinate",CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,"InChI=1/C18H22N2O6/c1-12(2)10-14(17(23)26-20-15(21)8-9-16(20)22)19-18(24)25-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,24)",C18H22N2O6,,,,,,YHZUOMRURVTBMO-AWEZNQCLSA-N,,,,,,,,,,,
100.020.235,222-258-5,3397-52-2,Dipotassium N-acetyl-DL-aspartate,dipotassium 2-acetamidosuccinate,[K+].[K+].CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],[K+].[K+].CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C6H9NO5.2K/c1-3(8)7-4(6(11)12)2-5(9)10;;/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2",C6H9NO5.2K,,,,,,CNOZYEVPMFZJSM-FHNDMYTFSA-L,,,,,,,,,,,
100.020.238,222-261-1,3397-65-7,N-(1-oxododecyl)-L-glutamic acid,N-dodecanoyl-L-glutamic acid,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C17H31NO5/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23)",C17H31NO5,,,,,,AVBJHQDHVYGQLS-AWEZNQCLSA-N,,,,,,,,,,,
100.020.247,222-271-6,3401-26-1,Dichloro(3-chloropropyl)phenylsilane,dichloro(3-chloropropyl)phenylsilane,ClCCC[Si](Cl)(Cl)c1ccccc1,ClCCC[Si](Cl)(Cl)c1ccccc1,"InChI=1/C9H11Cl3Si/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C9H11Cl3Si,,,,,,UWHAIVBRBAKZDT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.248,222-272-1,3401-47-6,1-bromo-2-methoxynaphthalene,1-bromo-2-methoxynaphthalene,COc1ccc2ccccc2c1Br,COc1ccc2ccccc2c1Br,"InChI=1/C11H9BrO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3",C11H9BrO,,,,,,XNIGURFWNPLWJM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.375,223-511-2,3934-81-4,"2,3-dihydroxy-p-anisic acid","2,3-dihydroxy-4-methoxybenzoic acid",COc1ccc(C(=O)O)c(O)c1O,COc1ccc(C(=O)O)c(O)c1O,"InChI=1/C8H8O5/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3,9-10H,1H3,(H,11,12)",C8H8O5,,,,,,YGDRPEIHNMXLJM-UHFFFAOYSA-N,,,,,,,,,,,
100.022.360,224-594-8,4422-95-1,"Benzene-1,3,5-tricarbonyl trichloride","benzene-1,3,5-tricarbonyl trichloride",ClC(=O)c1cc(cc(c1)C(=O)Cl)C(=O)Cl,ClC(=O)c1cc(cc(c1)C(=O)Cl)C(=O)Cl,InChI=1/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H,C9H3Cl3O3,,,,,,UWCPYKQBIPYOLX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.361,224-595-3,4424-00-4,Tetrabenzyl orthosilicate,tetrabenzyl orthosilicate,C(O[Si](OCc1ccccc1)(OCc2ccccc2)OCc3ccccc3)c4ccccc4,C(O[Si](OCc1ccccc1)(OCc2ccccc2)OCc3ccccc3)c4ccccc4,"InChI=1/C28H28O4Si/c1-5-13-25(14-6-1)21-29-33(30-22-26-15-7-2-8-16-26,31-23-27-17-9-3-10-18-27)32-24-28-19-11-4-12-20-28/h1-20H,21-24H2",C28H28O4Si,,,,,,BINKQJJWJHNOSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.362,224-596-9,7/03/4424,"Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',6'-diol 1,1-dioxide","spiro[2,1-benzoxathiole-3,9'-xanthene]-3',6'-diol 1,1-dioxide",Oc1ccc2c(Oc3cc(O)ccc3C24OS(=O)(=O)c5ccccc45)c1,Oc1ccc2c(Oc3cc(O)ccc3C24OS(=O)(=O)c5ccccc45)c1,"InChI=1/C19H12O6S/c20-11-5-7-13-16(9-11)24-17-10-12(21)6-8-14(17)19(13)15-3-1-2-4-18(15)26(22,23)25-19/h1-10,20-21H",C19H12O6S,,,,,,VJYGFSGAAOVTLC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.364,224-599-5,4424-17-3,2-aminobenzanilide,2-amino-N-phenylbenzamide,Nc1ccccc1C(=O)Nc2ccccc2,Nc1ccccc1C(=O)Nc2ccccc2,"InChI=1/C13H12N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)",C13H12N2O,,,,,,FDPVTENMNDHFNK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.366,224-601-4,4425-36-9,"Disodium [2,2'-binaphtho[2,1-b]thiophene]-1,1'-diyl disulphate","disodium 2,2'-binaphtho[2,1-b]thiene-1,1'-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c(sc2ccc3ccccc3c12)c4sc5ccc6ccccc6c5c4OS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)Oc1c(sc2ccc3ccccc3c12)c4sc5ccc6ccccc6c5c4OS(=O)(=O)[O-],"InChI=1/C24H14O8S4.2Na/c25-35(26,27)31-21-19-15-7-3-1-5-13(15)9-11-17(19)33-23(21)24-22(32-36(28,29)30)20-16-8-4-2-6-14(16)10-12-18(20)34-24;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C24H14O8S4.2Na,,,,,,QEUFEMFUODMTPB-UHFFFAOYSA-L,,,,,,,,,,,
100.022.367,224-603-5,4425-67-6,"2-aminopyrimidine-4,6-diol","2-aminopyrimidine-4,6-diol",Nc1nc(O)cc(O)n1,Nc1nc(O)cc(O)n1,"InChI=1/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)",C4H5N3O2,,,,,,AUFJTVGCSJNQIF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.114,222-124-6,3354-58-3,6-allyl-o-cresol,2-allyl-6-methylphenol,Cc1cccc(CC=C)c1O,Cc1cccc(CC=C)c1O,"InChI=1/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3",C10H12O,,,,,,WREVCRYZAWNLRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.115,222-125-1,3354-97-0,"Trisodium 4-hydroxy-5-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-5-methoxy-2-methylphenyl]azo]naphthalene-2,7-disulphonate","trisodium 4-({4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6N=Nc5c(cc4cc(Nc3ccccc3)ccc4c5O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6N=Nc5c(cc4cc(Nc3ccccc3)ccc4c5O)S([O-])(=O)=O,"InChI=1/C34H27N5O12S3.3Na/c1-18-10-27(37-39-33-31(54(48,49)50)14-19-11-22(8-9-25(19)34(33)41)35-21-6-4-3-5-7-21)30(51-2)17-26(18)36-38-28-15-23(52(42,43)44)12-20-13-24(53(45,46)47)16-29(40)32(20)28;;;/h3-17,35,40-41H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",C34H27N5O12S3.3Na,,,,,,PTIWCWYYGIRDIZ-UHFFFAOYSA-K,,,,,,,,,,,
100.020.123,222-134-0,3366-95-8,Secnidazole,1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol,CC(O)Cn1c(C)ncc1[N+](=O)[O-],CC(O)Cn1c(C)ncc1[N+](=O)[O-],"InChI=1/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3",C7H11N3O3,,,,,,KPQZUUQMTUIKBP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.124,222-135-6,3367-47-3,"1,4-di-o-tolylpiperazine","1,4-bis(2-methylphenyl)piperazine",Cc1ccccc1N2CCN(CC2)c3ccccc3C,Cc1ccccc1N2CCN(CC2)c3ccccc3C,"InChI=1/C18H22N2/c1-15-7-3-5-9-17(15)19-11-13-20(14-12-19)18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3",C18H22N2,,,,,,JGAUYUXAWKINSH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.625,224-886-5,4536-30-5,2-(dodecyloxy)ethanol,2-(dodecyloxy)ethanol,CCCCCCCCCCCCOCCO,CCCCCCCCCCCCOCCO,"InChI=1/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3",C14H30O2,,,,,,SFNALCNOMXIBKG-UHFFFAOYSA-N,,,,,,,,,,,
100.022.635,224-897-5,4542-70-5,"N,N-bis[(p-tolylsulphonyl)methyl]ethylamine","N,N-bis{[(4-methylphenyl)sulfonyl]methyl}ethanamine",CCN(CS(=O)(=O)c1ccc(C)cc1)CS(=O)(=O)c2ccc(C)cc2,CCN(CS(=O)(=O)c1ccc(C)cc1)CS(=O)(=O)c2ccc(C)cc2,"InChI=1/C18H23NO4S2/c1-4-19(13-24(20,21)17-9-5-15(2)6-10-17)14-25(22,23)18-11-7-16(3)8-12-18/h5-12H,4,13-14H2,1-3H3",C18H23NO4S2,,,,,,QUVOXOIEHSGNAH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.640,224-903-6,4546-72-9,N-benzoyl-2'-deoxyadenosine,N-benzoyl-2'-deoxyadenosine,OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c(NC(=O)c4ccccc4)ncnc23,OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c(NC(=O)c4ccccc4)ncnc23,"InChI=1/C17H17N5O4/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25)",C17H17N5O4,,,,,,PIXHJAPVPCVZSV-YNEHKIRRSA-N,,,,,,,,,,,
100.022.641,224-904-1,4547-57-3,4-butoxyphenylacetic acid,(4-butoxyphenyl)acetic acid,CCCCOc1ccc(CC(=O)O)cc1,CCCCOc1ccc(CC(=O)O)cc1,"InChI=1/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)",C12H16O3,,,,,,KLJMYYFCWBVKEE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.750,220-624-9,2836-32-0,Sodium glycollate,sodium glycolate,OCC(=O)O[Na],OCC(=O)O[Na],"InChI=1/C2H4O3.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+1/p-1",C2H4O3.Na,,,,,,VILMUCRZVVVJCA-UHFFFAOYSA-M,,,,,,,,,,,
100.018.752,220-627-5,2836-82-0,1-(2-fluorophenyl)acetone,1-(2-fluorophenyl)acetone,CC(=O)Cc1ccccc1F,CC(=O)Cc1ccccc1F,"InChI=1/C9H9FO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3",C9H9FO,,,,,,BANVZEUCJHUPOI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.753,220-628-0,2837-61-8,"2,2-dichloro-N-[3-(trifluoromethyl)phenyl]acetamide","2,2-dichloro-N-[3-(trifluoromethyl)phenyl]acetamide",FC(F)(F)c1cccc(NC(=O)C(Cl)Cl)c1,FC(F)(F)c1cccc(NC(=O)C(Cl)Cl)c1,"InChI=1/C9H6Cl2F3NO/c10-7(11)8(16)15-6-3-1-2-5(4-6)9(12,13)14/h1-4,7H,(H,15,16)",C9H6Cl2F3NO,,,,,,IVMXNTACFUFRFU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.754,220-629-6,2837-89-0,"1-chloro-1,2,2,2-tetrafluoroethane","2-chloro-1,1,1,2-tetrafluoroethane",FC(Cl)C(F)(F)F,FC(Cl)C(F)(F)F,"InChI=1/C2HClF4/c3-1(4)2(5,6)7/h1H",C2HClF4,,,,,,BOUGCJDAQLKBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.761,220-636-4,2842-38-8,2-cyclohexylaminoethanol,2-(cyclohexylamino)ethanol,OCCNC1CCCCC1,OCCNC1CCCCC1,"InChI=1/C8H17NO/c10-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2",C8H17NO,,,,,,MGUMZJAQENFQKN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.766,220-642-7,2845-89-8,3-chloroanisole,1-chloro-3-methoxybenzene,COc1cccc(Cl)c1,COc1cccc(Cl)c1,"InChI=1/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3",C7H7ClO,,,,,,YUKILTJWFRTXGB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.773,220-650-0,2847-16-7,Cadmium didecanoate,cadmium didecanoate,[Cd+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/2C10H20O2.Cd/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Cd,,,,,,QOUHCGDKCVHHKB-UHFFFAOYSA-L,,,,,,,,,,,
100.018.775,220-652-1,2848-94-4,N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide,N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide,CN(C(=O)CBr)c1ccc(Cl)cc1C(=O)c2ccccc2,CN(C(=O)CBr)c1ccc(Cl)cc1C(=O)c2ccccc2,"InChI=1/C16H13BrClNO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3",C16H13BrClNO2,,,,,,ATRGENZZRLPDFV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.776,220-653-7,2848-96-6,"7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2-oxo-2H-1,4-benzodiazepin-3-yl acetate","7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate",CC(=O)OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,CC(=O)OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,"InChI=1/C17H12Cl2N2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)",C17H12Cl2N2O3,,,,,,CYDZMDOLVUBPNL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.821,218-503-0,2164-34-3,"2-(bromomethyl)-2,3-dihydro-1,4-benzodioxin","2-(bromomethyl)-2,3-dihydro-1,4-benzodioxine",BrCC1COc2ccccc2O1,BrCC1COc2ccccc2O1,"InChI=1/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2",C9H9BrO2,,,,,,QYLFKNVZIFTCIY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.822,218-504-6,2164-83-2,"5-nitropyrimidine-4,6-diol","5-nitropyrimidine-4,6-diol",Oc1ncnc(O)c1[N+](=O)[O-],Oc1ncnc(O)c1[N+](=O)[O-],"InChI=1/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)",C4H3N3O4,,,,,,ABTLZAVJDRUDNG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.824,218-506-7,5/11/2167,3-chloro-1-ethylpiperidine,3-chloro-1-ethylpiperidine,CCN1CCCC(Cl)C1,CCN1CCCC(Cl)C1,"InChI=1/C7H14ClN/c1-2-9-5-3-4-7(8)6-9/h7H,2-6H2,1H3",C7H14ClN,,,,,,XFEJOGHZSITRAL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.832,218-515-6,2169-64-4,Azaribine,"2-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione",CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)N2N=CC(=O)NC2=O,CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)N2N=CC(=O)NC2=O,"InChI=1/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)",C14H17N3O9,,,,,,QQOBRRFOVWGIMD-OJAKKHQRSA-N,,,,,,,,,,,
100.016.834,218-517-7,2169-87-1,"Naphthalene-2,3-dicarboxylic acid","naphthalene-2,3-dicarboxylic acid",OC(=O)c1cc2ccccc2cc1C(=O)O,OC(=O)c1cc2ccccc2cc1C(=O)O,"InChI=1/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)",C12H8O4,,,,,,KHARCSTZAGNHOT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.840,218-524-5,2172-33-0,"6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone","dinaphtho[2,3-i:2,3-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone",O=C1c2ccccc2C(=O)c3c1ccc4c5ccc6C(=O)c7c(ccc8c9ccc%10C(=O)c%11ccccc%11C(=O)c%10c9[nH]c78)C(=O)c6c5[nH]c34,O=C1c2ccccc2C(=O)c3c1ccc4c5ccc6C(=O)c7c(ccc8c9ccc%10C(=O)c%11ccccc%11C(=O)c%10c9[nH]c78)C(=O)c6c5[nH]c34,"InChI=1/C42H18N2O6/c45-37-21-5-1-3-7-23(21)39(47)29-25(37)13-9-17-19-11-15-27-31(35(19)43-33(17)29)41(49)28-16-12-20-18-10-14-26-30(34(18)44-36(20)32(28)42(27)50)40(48)24-8-4-2-6-22(24)38(26)46/h1-16,43-44H",C42H18N2O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16520,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.840,CVWSULASWLZVCH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.846,218-530-8,2174-13-2,"20-hydroxyiminopregna-5,16-dien-3-ß-yl acetate","20-(hydroxyimino)pregna-5,16-dien-3-yl acetate",CC(=O)O[C@@H]1C\\C2=C\\C[C@H]3[C@@H]4C\\C=C(\\C(C)=NO)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,CC(=O)O[C@@H]1C\C2=C\C[C@H]3[C@@H]4C\C=C(\C(C)=NO)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,"InChI=1/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3",C23H33NO3,,,,,,OVKSHCIVDWZSJD-RFOVXIPZSA-N,,,,,,,,,,,
100.042.074,246-298-8,24527-27-3,Spiclomazine,"8-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one",Clc1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)NC(=O)CS5)c2c1,Clc1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)NC(=O)CS5)c2c1,"InChI=1/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)",C22H24ClN3OS2,,,,,,CFOYBMUYCBSDAL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.075,246-299-3,24530-53-8,Barium 2-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulphonate,[2-{[2-(hydroxy-kappaO)-1-naphthyl]diazenyl}naphthalene-1-sulfonato(2-)-kappaO]barium,O=S1(=O)O[Ba]Oc2ccc3ccccc3c2N=Nc4ccc5ccccc5c14,O=S1(=O)O[Ba]Oc2ccc3ccccc3c2N=Nc4ccc5ccccc5c14,"InChI=1/C20H14N2O4S.Ba/c23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+2/p-2/rC20H12BaN2O4S/c24-28(25)20-16-8-4-2-6-14(16)9-11-17(20)22-23-19-15-7-3-1-5-13(15)10-12-18(19)26-21-27-28/h1-12H",C20H14N2O4S.Ba,,,,,,OHGPMABFLSIKFV-UHFFFAOYSA-L,,,,,,,,,,,
100.042.077,246-301-2,24537-30-2,N-(hydroxymethyl)hexadecan-1-amide,N-(hydroxymethyl)hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCO,CCCCCCCCCCCCCCCC(=O)NCO,"InChI=1/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)18-16-19/h19H,2-16H2,1H3,(H,18,20)",C17H35NO2,,,,,,IKBNHLXERSPTKI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.079,246-303-3,24539-59-1,Nonyl hydrogen phthalate,2-[(nonyloxy)carbonyl]benzoic acid,CCCCCCCCCOC(=O)c1ccccc1C(=O)O,CCCCCCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C17H24O4/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)",C17H24O4,,,,,,LNKHFECVVLVFFE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.791,250-386-1,30910-47-5,Diphenylammonium bromide,N-phenylanilinium bromide,[Br-].[NH2+](c1ccccc1)c2ccccc2,[Br-].[NH2+](c1ccccc1)c2ccccc2,"InChI=1/C12H11N.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H",C12H11N.BrH,,,,,,ADWDNOJZWIDEOT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.793,250-388-2,30921-18-7,Bromo-7H-benz[de]anthracen-7-one,1-bromo-7H-benzo[de]anthracen-7-one,Brc1ccc2cccc3C(=O)c4ccccc4c1c23,Brc1ccc2cccc3C(=O)c4ccccc4c1c23,InChI=1/C17H9BrO/c18-14-9-8-10-4-3-7-13-15(10)16(14)11-5-1-2-6-12(11)17(13)19/h1-9H,C17H9BrO,,,,,,RPGSDUFFVUBVQB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.802,250-398-7,30934-97-5,"2,2-dimethoxyethanol","2,2-dimethoxyethanol",COC(CO)OC,COC(CO)OC,"InChI=1/C4H10O3/c1-6-4(3-5)7-2/h4-5H,3H2,1-2H3",C4H10O3,,,,,,NYPNCQTUZYWFGG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.804,250-400-6,30937-72-5,Zirconium formate,zirconium(2+) diformate,[Zr+2].[O-]C=O.[O-]C=O,[Zr+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Zr/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CH2O2.xZr,,,,,,HEXWAUJTQQELFE-UHFFFAOYSA-L,,,,,,,,,,,
100.045.806,250-402-7,30950-27-7,(E)-4-(1-methylvinyl)cyclohexene-1-carbaldehyde oxime,4-isopropenylcyclohex-1-ene-1-carbaldehyde oxime,CC(=C)C1CCC(=CC1)\\C=N\\O,CC(=C)C1CCC(=CC1)\C=N\O,"InChI=1/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3",C10H15NO,,,,,,XCOJIVIDDFTHGB-YRNVUSSQSA-N,,,,,,,,,,,
100.045.807,250-403-2,30951-88-3,"N,N-diethylhexadecylamine","N,N-diethylhexadecan-1-amine",CCCCCCCCCCCCCCCCN(CC)CC,CCCCCCCCCCCCCCCCN(CC)CC,"InChI=1/C20H43N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(5-2)6-3/h4-20H2,1-3H3",C20H43N,,,,,,AVOKRHSASDONRL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.815,250-412-1,30982-35-5,"2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl phenylacetate","2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl phenylacetate",CC1(C)C2CC=C(CCOC(=O)Cc3ccccc3)C1C2,CC1(C)C2CC=C(CCOC(=O)Cc3ccccc3)C1C2,"InChI=1/C19H24O2/c1-19(2)16-9-8-15(17(19)13-16)10-11-21-18(20)12-14-6-4-3-5-7-14/h3-8,16-17H,9-13H2,1-2H3",C19H24O2,,,,,,FPJNFQPRCFYLDD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.821,250-418-4,30989-05-0,Tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] orthoborate,tris{2-[2-(2-methoxyethoxy)ethoxy]ethyl} borate,COCCOCCOCCOB(OCCOCCOCCOC)OCCOCCOCCOC,COCCOCCOCCOB(OCCOCCOCCOC)OCCOCCOCCOC,"InChI=1/C21H45BO12/c1-23-4-7-26-10-13-29-16-19-32-22(33-20-17-30-14-11-27-8-5-24-2)34-21-18-31-15-12-28-9-6-25-3/h4-21H2,1-3H3",C21H45BO12,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14522,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.821,BYRJZJXBVKUYFH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.827,250-425-2,31001-73-7,"4-benzoyl-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","4-benzoyl-1,3-phenylene bis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c3)C1=O,[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c3)C1=O,"InChI=1/C33H18N4O9S2/c34-36-26-16-14-21-23(32(26)39)8-4-10-29(21)47(41,42)45-20-12-13-25(31(38)19-6-2-1-3-7-19)28(18-20)46-48(43,44)30-11-5-9-24-22(30)15-17-27(37-35)33(24)40/h1-18H",C33H18N4O9S2,,,,,,RVUFIAZZLHJNJS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.837,250-436-2,31024-54-1,4-[3-(trimethoxysilyl)propyl]morpholine,4-[3-(trimethoxysilyl)propyl]morpholine,CO[Si](CCCN1CCOCC1)(OC)OC,CO[Si](CCCN1CCOCC1)(OC)OC,"InChI=1/C10H23NO4Si/c1-12-16(13-2,14-3)10-4-5-11-6-8-15-9-7-11/h4-10H2,1-3H3",C10H23NO4Si,,,,,,YJDOIAGBSYPPCK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.838,250-437-8,31024-56-3,N-[3-(trimethoxysilyl)propyl]butylamine,N-[3-(trimethoxysilyl)propyl]butan-1-amine,CCCCNCCC[Si](OC)(OC)OC,CCCCNCCC[Si](OC)(OC)OC,"InChI=1/C10H25NO3Si/c1-5-6-8-11-9-7-10-15(12-2,13-3)14-4/h11H,5-10H2,1-4H3",C10H25NO3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5522,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.838,XCOASYLMDUQBHW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.378,223-514-9,5/02/3936,"Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11ß,16a)-","sodium 3-{[(9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@@]5(O)[C@H](C)C[C@@H]2[C@]5(C)C[C@H](O)[C@]3(F)[C@@]4(C)/C=C\\C(=O)/C=C4/CC[C@@H]23,[Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@@]5(O)[C@H](C)C[C@@H]2[C@]5(C)C[C@H](O)[C@]3(F)[C@@]4(C)/C=C\C(=O)/C=C4/CC[C@@H]23,"InChI=1/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1",C29H33FO9S.Na,,,,,,RPBJOYICBFNIMN-RDWMNNCQSA-M,,,,,,,,,,,
100.021.382,223-519-6,3938-81-6,Ethyl heptyloxyacetate,ethyl (heptyloxy)acetate,CCCCCCCOCC(=O)OCC,CCCCCCCOCC(=O)OCC,"InChI=1/C11H22O3/c1-3-5-6-7-8-9-13-10-11(12)14-4-2/h3-10H2,1-2H3",C11H22O3,,,,,,YLCDNDWOYHGDGP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.387,223-524-3,3942-54-9,2-chlorophenyl methylcarbamate,2-chlorophenyl methylcarbamate,CNC(=O)Oc1ccccc1Cl,CNC(=O)Oc1ccccc1Cl,"InChI=1/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)",C8H8ClNO2,,,,,,ZAGNMMRDHSEOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.388,223-525-9,3943-74-6,Methyl vanillate,methyl 4-hydroxy-3-methoxybenzoate,COC(=O)c1ccc(O)c(OC)c1,COC(=O)c1ccc(O)c(OC)c1,"InChI=1/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3",C9H10O4,,,,,,BVWTXUYLKBHMOX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.394,223-532-7,3944-35-2,"2,2'-[ethylenebis(oxy)]bispropane","2,2'-[ethane-1,2-diylbis(oxy)]dipropane",CC(C)OCCOC(C)C,CC(C)OCCOC(C)C,"InChI=1/C8H18O2/c1-7(2)9-5-6-10-8(3)4/h7-8H,5-6H2,1-4H3",C8H18O2,,,,,,MGZCLRWCEUBEGO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.400,223-539-5,3947-58-8,2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide,2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide,Oc1ccc(cc1NC(=O)CBr)[N+](=O)[O-],Oc1ccc(cc1NC(=O)CBr)[N+](=O)[O-],"InChI=1/C8H7BrN2O4/c9-4-8(13)10-6-3-5(11(14)15)1-2-7(6)12/h1-3,12H,4H2,(H,10,13)",C8H7BrN2O4,,,,,,STWBNOBMOCQPLR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.787,220-665-2,5/08/2855,"1-chloro-3,3-dimethylbutane","1-chloro-3,3-dimethylbutane",CC(C)(C)CCCl,CC(C)(C)CCCl,"InChI=1/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3",C6H13Cl,,,,,,XGCKOSFYXBAPQM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.801,220-680-4,2862-39-7,2-bromoethyldimethylammonium bromide,"2-bromo-N,N-dimethylethanaminium bromide",[Br-].C[NH+](C)CCBr,[Br-].C[NH+](C)CCBr,"InChI=1/C4H10BrN.BrH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H",C4H10BrN.BrH,,,,,,MFRUVSDIZTZFFL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.804,220-684-6,2865-70-5,10-chloro-10H-phenoxarsine,10-chloro-10H-phenoxarsine,Cl[As]1c2ccccc2Oc3ccccc13,Cl[As]1c2ccccc2Oc3ccccc13,InChI=1/C12H8AsClO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,C12H8AsClO,,,,,,RUZFPOBOXIDMSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.821,220-702-2,4/08/2872,"4,4'-methylenebis(6-tert-butyl-m-cresol)","4,4'-methylenebis(2-tert-butyl-5-methylphenol)",Cc1cc(O)c(cc1Cc2cc(c(O)cc2C)C(C)(C)C)C(C)(C)C,Cc1cc(O)c(cc1Cc2cc(c(O)cc2C)C(C)(C)C)C(C)(C)C,"InChI=1/C23H32O2/c1-14-9-20(24)18(22(3,4)5)12-16(14)11-17-13-19(23(6,7)8)21(25)10-15(17)2/h9-10,12-13,24-25H,11H2,1-8H3",C23H32O2,,,,,,CBPMAFPTGJZUSN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.824,220-705-9,2872-72-2,Phenyl tetra-O-acetyl-ß-D-galactopyranoside,"phenyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside",CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C,"InChI=1/C20H24O10/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(30-16)29-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3",C20H24O10,,,,,,HPKPFIHCMIKXMU-LCWAXJCOSA-N,,,,,,,,,,,
100.018.825,220-706-4,3/12/2873,"2,2,2-trichloro-1-isopropoxyethanol","2,2,2-trichloro-1-isopropoxyethanol",CC(C)OC(O)C(Cl)(Cl)Cl,CC(C)OC(O)C(Cl)(Cl)Cl,"InChI=1/C5H9Cl3O2/c1-3(2)10-4(9)5(6,7)8/h3-4,9H,1-2H3",C5H9Cl3O2,,,,,,CRPHMEAAZLEFAI-UHFFFAOYSA-N,,,,,,,,,,,
100.016.869,218-555-4,2181-42-2,Trimethylsulphonium iodide,trimethylsulfonium iodide,[I-].C[S+](C)C,[I-].C[S+](C)C,InChI=1/C3H9S.HI/c1-4(2)3;/h1-3H3;1H/q+1;/p-1,C3H9S.I,,,,,,VFJYIHQDILEQNR-UHFFFAOYSA-M,,,,,,,,,,,
100.016.872,218-559-6,2182-38-9,2-anilino-2-methylpropiononitrile,2-anilino-2-methylpropanenitrile,CC(C)(Nc1ccccc1)C#N,CC(C)(Nc1ccccc1)C#N,"InChI=1/C10H12N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-7,12H,1-2H3",C10H12N2,,,,,,NCTOGJVAFQWQOR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.381,220-219-7,2673-22-5,"Sodium 1,2-bis(tridecyloxycarbonyl)ethanesulphonate","sodium 1,4-dioxo-1,4-bis(tridecyloxy)butane-2-sulfonate",[Na+].CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1/p-1",C30H58O7S.Na,,,,,,YWQIGRBJQMNGSN-UHFFFAOYSA-M,,,,,,,,,,,
100.018.383,220-221-8,2674-91-1,"S-(2-ethylsulphinyl-1-methylethyl)-O,O-dimethyl phosphorothioate","S-[2-(ethylsulfinyl)-1-methylethyl] O,O-dimethyl thiophosphate",CCS(=O)CC(C)SP(=O)(OC)OC,CCS(=O)CC(C)SP(=O)(OC)OC,"InChI=1/C7H17O4PS2/c1-5-14(9)6-7(2)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3",C7H17O4PS2,,,,,,JAYZFNIOOYPIAH-UHFFFAOYSA-N,,,,,,,,,,,
100.022.645,224-908-3,4548-45-2,2-chloro-5-nitropyridine,2-chloro-5-nitropyridine,[O-][N+](=O)c1ccc(Cl)nc1,[O-][N+](=O)c1ccc(Cl)nc1,InChI=1/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,C5H3ClN2O2,,,,,,BAZVFQBTJPBRTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.646,224-909-9,4548-53-2,"Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate","disodium 3-[(2,4-dimethyl-5-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c(C)cc3C,[Na+].[Na+].[O-]S(=O)(=O)c3cc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c(C)cc3C,"InChI=1/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H16N2O7S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17284,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.646,ONTQJDKFANPPKK-UHFFFAOYSA-L,,,,,,,,,,,
100.022.647,224-910-4,4549-31-9,"1,7-dibromoheptane","1,7-dibromoheptane",BrCCCCCCCBr,BrCCCCCCCBr,InChI=1/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2,C7H14Br2,,,,,,LVWSZGCVEZRFBT-UHFFFAOYSA-N,,,,,,,,,,,
100.022.654,224-918-8,4551-69-3,4-benzoyl-3-methyl-1-phenylpyrazol-5-one,"4-benzoyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CC1=C(C(=O)c2ccccc2)C(=O)N(N1)c3ccccc3,CC1=C(C(=O)c2ccccc2)C(=O)N(N1)c3ccccc3,"InChI=1/C17H14N2O2/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,18H,1H3",C17H14N2O2,,,,,,KJTRXVXWSSPHRV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.655,224-919-3,4551-90-0,Potassium p-vinylbenzenesulphonate,potassium 4-vinylbenzenesulfonate,[K+].[O-]S(=O)(=O)c1ccc(C=C)cc1,[K+].[O-]S(=O)(=O)c1ccc(C=C)cc1,"InChI=1/C8H8O3S.K/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1",C8H8O3S.K,,,,,,HWDDJFFLFNQAFQ-UHFFFAOYSA-M,,,,,,,,,,,
100.022.659,224-924-0,4553-89-3,"Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate","disodium 4,4'-{[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]didiazene-2,1-diyl}dinaphthalene-1-sulfonate",[Na+].[Na+].Oc3c(cc(CO)c(O)c3N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O,[Na+].[Na+].Oc3c(cc(CO)c(O)c3N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O,"InChI=1/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C27H20N4O9S2.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17635,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.659,BIRIBMFCDVVRKL-UHFFFAOYSA-L,,,,,,,,,,,
100.022.662,224-927-7,4559-30-2,"Potassium 2,3,6-trichlorobenzoate","potassium 2,3,6-trichlorobenzoate",[K+].[O-]C(=O)c1c(Cl)ccc(Cl)c1Cl,[K+].[O-]C(=O)c1c(Cl)ccc(Cl)c1Cl,"InChI=1/C7H3Cl3O2.K/c8-3-1-2-4(9)6(10)5(3)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1",C7H3Cl3O2.K,,,,,,KJMADHVXBWVFBX-UHFFFAOYSA-M,,,,,,,,,,,
100.022.663,224-928-2,4559-79-9,"N,N,N',N'-tetramethylbut-2-enylenediamine","N,N,N',N'-tetramethylbut-2-ene-1,4-diamine",CN(C)CC=CCN(C)C,CN(C)CC=CCN(C)C,"InChI=1/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3",C8H18N2,,,,,,KUEDAAUECWBMLW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.658,220-524-5,2792-22-5,[(3-chlorophenyl)hydrazono]acetonitrilo,[(3-chlorophenyl)hydrazono]acetonitrile,Clc1cccc(NN=CC#N)c1,Clc1cccc(NN=CC#N)c1,"InChI=1/C8H6ClN3/c9-7-2-1-3-8(6-7)12-11-5-4-10/h1-3,5-6,12H",C8H6ClN3,,,,,,UANBJEOUSVXYKE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.666,220-532-9,2799-16-8,(R)-(-)-1-aminopropan-2-ol,1-aminopropan-2-ol,C[C@@H](O)CN,C[C@@H](O)CN,"InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3",C3H9NO,,,,,,HXKKHQJGJAFBHI-GSVOUGTGSA-N,,,,,,,,,,,
100.018.669,220-536-0,2799-91-9,N-(1-methylpiperidin-4-ylidene)acetohydrazide,N'-(1-methylpiperidin-4-ylidene)acetohydrazide,CN1CCC(=NNC(=O)C)CC1,CN1CCC(=NNC(=O)C)CC1,"InChI=1/C8H15N3O/c1-7(12)9-10-8-3-5-11(2)6-4-8/h3-6H2,1-2H3,(H,9,12)",C8H15N3O,,,,,,FIIVJDIEDSXVNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.670,220-537-6,2799-92-0,N'-(N-methyl-4-piperidyl)acetohydrazide,N'-(1-methylpiperidin-4-yl)acetohydrazide,CN1CCC(CC1)NNC(=O)C,CN1CCC(CC1)NNC(=O)C,"InChI=1/C8H17N3O/c1-7(12)9-10-8-3-5-11(2)6-4-8/h8,10H,3-6H2,1-2H3,(H,9,12)",C8H17N3O,,,,,,JDZQCVNSMIOFBW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.671,220-538-1,2800-80-8,Bromophenol red,"4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromophenol)",Oc1ccc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(Br)c4,Oc1ccc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(Br)c4,"InChI=1/C19H12Br2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H",C19H12Br2O5S,,,,,,OYCLSQDXZMROJK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.683,220-551-2,2809-20-3,Triammonium hydrogen (1-hydroxyethylidene)bisphosphonate,"triammonium hydrogen (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[NH4+].[NH4+].[NH4+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.3H3N/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);3*1H3/p-1",C2H8O7P2.3H3N,,,,,,CRULDAFTNSZRBT-UHFFFAOYSA-M,,,,,,,,,,,
100.018.696,220-565-9,2815-95-4,"Benzo-1,3-dioxole-5-propionic acid","3-(1,3-benzodioxol-5-yl)propanoic acid",OC(=O)CCc1ccc2OCOc2c1,OC(=O)CCc1ccc2OCOc2c1,"InChI=1/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12)",C10H10O4,,,,,,UIYJGLLTSVRSBM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.849,218-533-4,2175-90-8,"6,6'-diphenylfulvene","1,1'-(cyclopenta-2,4-dien-1-ylidenemethylene)dibenzene",C1=CC(=C(c2ccccc2)c3ccccc3)C=C1,C1=CC(=C(c2ccccc2)c3ccccc3)C=C1,InChI=1/C18H14/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H,C18H14,,,,,,BULLHRADHZGONG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.851,218-536-0,2176-98-9,Tetrapropyltin,tetrapropylstannane,CCC[Sn](CCC)(CCC)CCC,CCC[Sn](CCC)(CCC)CCC,"InChI=1/4C3H7.Sn/c4*1-3-2;/h4*1,3H2,2H3;/rC12H28Sn/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3",C12H28Sn,,,,,,OIQCWAIEHVRCCG-UHFFFAOYSA-N,,,,,,,,,,,
100.016.855,218-540-2,2177-62-0,4-methyl hydrogen L-aspartate,2-amino-4-methoxy-4-oxobutanoic acid (non-preferred name),COC(=O)C[C@H](N)C(=O)O,COC(=O)C[C@H](N)C(=O)O,"InChI=1/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)",C5H9NO4,,,,,,SBRYFUVVWOMLLP-VKHMYHEASA-N,,,,,,,,,,,
100.016.860,218-546-5,2179-15-9,4-nitrophenyl N2-[(phenylmethoxy)carbonyl]lysinate monohydrochloride,4-nitrophenyl N~2~-[(benzyloxy)carbonyl]lysinate hydrochloride,Cl.NCCCCC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],Cl.NCCCCC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C20H23N3O6.ClH/c21-13-5-4-8-18(22-20(25)28-14-15-6-2-1-3-7-15)19(24)29-17-11-9-16(10-12-17)23(26)27;/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,22,25);1H",C20H23N3O6.ClH,,,,,,JFZLPXVXTZKFDV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.866,218-552-8,2179-99-9,Bis(lauroyloxy)dimethylstannane,bis(dodecanoyloxy)(dimethyl)stannane,CCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2*2-11H2,1H3,(H,13,14);2*1H3;/q;;;;+2/p-2/rC26H52O4Sn/c1-5-7-9-11-13-15-17-19-21-23-25(27)29-31(3,4)30-26(28)24-22-20-18-16-14-12-10-8-6-2/h5-24H2,1-4H3",C26H52O4Sn,,,,,,LYYNQLKRDKNQMN-UHFFFAOYSA-L,,,,,,,,,,,
100.021.564,223-719-3,4036-30-0,(S)-phenylsuccinic acid,2-phenylsuccinic acid,OC(=O)C[C@H](C(=O)O)c1ccccc1,OC(=O)C[C@H](C(=O)O)c1ccccc1,"InChI=1/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)",C10H10O4,,,,,,LVFFZQQWIZURIO-QMMMGPOBSA-N,,,,,,,,,,,
100.021.572,223-728-2,4040-50-0,Aluminium myristate,aluminum tritetradecanoate,[Al+3].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C14H28O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h3*2-13H2,1H3,(H,15,16);/q;;;+3/p-3",C14H28O2.1/3Al,,,,,,HSMXEPWDIJUMSS-UHFFFAOYSA-K,,,,,,,,,,,
100.021.584,223-741-3,4044-65-9,Bitoscanate,"1,4-diisothiocyanatobenzene",S=C=N/c1ccc(cc1)\\N=C=S,S=C=N/c1ccc(cc1)\N=C=S,InChI=1/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H,C8H4N2S2,,,,,,OMWQUXGVXQELIX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.594,223-752-3,4050-45-7,trans-hex-2-ene,hex-2-ene,CCC\\C=C\\C,CCC\C=C\C,"InChI=1/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3",C6H12,,,,,,RYPKRALMXUUNKS-HWKANZROSA-N,,,,,,,,,,,
100.021.598,223-757-0,4052-54-4,"[2S-(2a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide","3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide",CC1(C)C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S1=O)C(=O)O,CC1(C)C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S1=O)C(=O)O,"InChI=1/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C16H18N2O5S,,,,,,FCZNNHHXCFARDY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.602,223-761-2,4053-35-4,7-methyl-2-quinolone,7-methylquinolin-2(1H)-one,Cc1ccc2C=CC(=O)Nc2c1,Cc1ccc2C=CC(=O)Nc2c1,"InChI=1/C10H9NO/c1-7-2-3-8-4-5-10(12)11-9(8)6-7/h2-6H,1H3,(H,11,12)",C10H9NO,,,,,,QLVPBCMPYVAWEW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.609,223-769-6,4062-60-6,"N,N'-bis(tert-butyl)ethylenediamine","N,N'-di-tert-butylethane-1,2-diamine",CC(C)(C)NCCNC(C)(C)C,CC(C)(C)NCCNC(C)(C)C,"InChI=1/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3",C10H24N2,,,,,,KGHYGBGIWLNFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.232,222-254-3,3397-32-8,"Benzyl (S)-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-(phenylmethyl)ethyl]-carbamate","2,5-dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate",O=C(N[C@@H](Cc1ccccc1)C(=O)ON2C(=O)CCC2=O)OCc3ccccc3,O=C(N[C@@H](Cc1ccccc1)C(=O)ON2C(=O)CCC2=O)OCc3ccccc3,"InChI=1/C21H20N2O6/c24-18-11-12-19(25)23(18)29-20(26)17(13-15-7-3-1-4-8-15)22-21(27)28-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)",C21H20N2O6,,,,,,MOJNKVWQJKPXCT-KRWDZBQOSA-N,,,,,,,,,,,
100.020.236,222-259-0,3397-54-4,"(±)-N-(tetrahydro-2,5-dioxo-3-furyl)acetamide","N-(2,5-dioxotetrahydrofuran-3-yl)acetamide",CC(=O)NC1CC(=O)OC1=O,CC(=O)NC1CC(=O)OC1=O,"InChI=1/C6H7NO4/c1-3(8)7-4-2-5(9)11-6(4)10/h4H,2H2,1H3,(H,7,8)",C6H7NO4,,,,,,JMQITILRHSGUCB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.237,222-260-6,3397-62-4,"2-chloro-4,6-diamino-1,3,5-triazine","6-chloro-1,3,5-triazine-2,4-diamine",Nc1nc(N)nc(Cl)n1,Nc1nc(N)nc(Cl)n1,"InChI=1/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)",C3H4ClN5,,,,,,FVFVNNKYKYZTJU-UHFFFAOYSA-N,Positive,AU202201,[M+H]+,CID10,146.0241,Athens_Univ,,,,,
100.040.747,244-838-7,22204-53-1,Naproxen,2-(6-methoxy-2-naphthyl)propanoic acid,COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O,COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O,"InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)",C14H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16517,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.747,CMWTZPSULFXXJA-VIFPVBQESA-N,,,,,,,,,,,
100.040.749,244-840-8,22205-26-1,Dioctylbis(stearoyloxy)stannane,dioctyl[bis(stearoyloxy)]stannane,CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/2C18H36O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-8-6-4-2;/h2*2-17H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC52H104O4Sn/c1-5-9-13-17-21-23-25-27-29-31-33-35-37-39-43-47-51(53)55-57(49-45-41-19-15-11-7-3,50-46-42-20-16-12-8-4)56-52(54)48-44-40-38-36-34-32-30-28-26-24-22-18-14-10-6-2/h5-50H2,1-4H3",C52H104O4Sn,,,,,,UZFVQGTYOXJWTF-UHFFFAOYSA-L,,,,,,,,,,,
100.042.375,246-629-6,25114-70-9,"2,2',2''-nitrilotrisethanol hydrobromide","2,2',2''-nitrilotriethanol hydrobromide",Br.OCCN(CCO)CCO,Br.OCCN(CCO)CCO,"InChI=1/C6H15NO3.BrH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H",C6H15NO3.BrH,,,,,,UKKLUBWWAGMMAG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.378,246-632-2,25117-75-3,3-ethoxybenzonitrile,3-ethoxybenzonitrile,CCOc1cccc(c1)C#N,CCOc1cccc(c1)C#N,"InChI=1/C9H9NO/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2H2,1H3",C9H9NO,,,,,,PFNAUBYHTWDKBO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.379,246-633-8,25122-41-2,Clobetasol,"21-chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl,"InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3",C22H28ClFO4,,,,,,FCSHDIVRCWTZOX-DVTGEIKXSA-N,,,,,,,,,,,
100.042.381,246-635-9,25122-57-0,"21-chloro-9-fluoro-17-hydroxy-16ß-methylpregna-1,4-diene-3,11,20-trione 17-butyrate","21-chloro-9-fluoro-16-methyl-3,11,20-trioxopregna-1,4-dien-17-yl butyrate",CCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]12C)C(=O)CCl,CCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]12C)C(=O)CCl,"InChI=1/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3",C26H32ClFO5,,,,,,FBRAWBYQGRLCEK-AVVSTMBFSA-N,,,,,,,,,,,
100.042.385,246-640-6,25129-20-8,"N,N'-dibenzoyl-L-cystine","N,N'-dibenzoyl-L-cystine",OC(=O)[C@H](CSSC[C@H](NC(=O)c1ccccc1)C(=O)O)NC(=O)c2ccccc2,OC(=O)[C@H](CSSC[C@H](NC(=O)c1ccccc1)C(=O)O)NC(=O)c2ccccc2,"InChI=1/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)",C20H20N2O6S2,,,,,,GUTXMPQWQSOAIY-HOTGVXAUSA-N,,,,,,,,,,,
100.042.393,246-649-5,25139-08-6,Cobalt metasilicate,cobalt(2+) oxosilanediolate,[Co+2].[O-][Si](=O)[O-],[Co+2].[O-][Si](=O)[O-],InChI=1/Co.O3Si/c;1-4(2)3/q+2;-2,Co.xH2O3Si,,,,,,DLZCSDJWWIABKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.394,246-650-0,25140-90-3,"2-(2,6-dichlorophenoxy)propionic acid","2-(2,6-dichlorophenoxy)propanoic acid",CC(Oc1c(Cl)cccc1Cl)C(=O)O,CC(Oc1c(Cl)cccc1Cl)C(=O)O,"InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-6(10)3-2-4-7(8)11/h2-5H,1H3,(H,12,13)",C9H8Cl2O3,,,,,,JTSKVVDMNKQPAO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.398,246-654-2,25146-18-3,"4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione, compound with a-[(2-pyridylamino)methyl]benzenemethanol (1:1)","4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione - 1-phenyl-2-(pyridin-2-ylamino)ethanol (1:1)",CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3.OC(CNc4ccccn4)c5ccccc5,CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3.OC(CNc4ccccn4)c5ccccc5,"InChI=1/C19H20N2O3.C13H14N2O/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h4-8,10-13,17,22H,2-3,9H2,1H3;1-9,12,16H,10H2,(H,14,15)",C19H20N2O3.C13H14N2O,,,,,,MLDZWPIBNQMTDC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.401,246-657-9,25149-47-7,1-(tert-butylazo)cyclohexanecarbonitrile,1-(tert-butyldiazenyl)cyclohexanecarbonitrile,CC(C)(C)N=NC1(CCCCC1)C#N,CC(C)(C)N=NC1(CCCCC1)C#N,"InChI=1/C11H19N3/c1-10(2,3)13-14-11(9-12)7-5-4-6-8-11/h4-8H2,1-3H3",C11H19N3,,,,,,QKNQPCLQRXMWJO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.404,246-661-0,25150-98-5,"1,1,3,3-tetrabutyl-1,3-bis(dodecyloxy)distannoxane","1,1,3,3-tetrabutyl-1,3-bis(dodecyloxy)distannoxane",CCCCCCCCCCCCO[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OCCCCCCCCCCCC,CCCCCCCCCCCCO[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OCCCCCCCCCCCC,"InChI=1/2C12H25O.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;4*1-3-4-2;;;/h2*2-12H2,1H3;4*1,3-4H2,2H3;;;/q2*-1;;;;;;2*+1/rC40H86O3Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-41-44(37-15-9-3,38-16-10-4)43-45(39-17-11-5,40-18-12-6)42-36-34-32-30-28-26-24-22-20-14-8-2/h7-40H2,1-6H3",C40H86O3Sn2,,,,,,UCDQSBXEFJFIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.406,246-663-1,25151-31-9,"N,N'-dioctadecyladipamide","N,N'-dioctadecylhexanediamide",CCCCCCCCCCCCCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCCCCCCCCCC,"InChI=1/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-41(45)37-33-34-38-42(46)44-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46)",C42H84N2O2,,,,,,QIJSQGXDFAYEAF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.384,220-222-3,2675-77-6,Chloroneb,"1,4-dichloro-2,5-dimethoxybenzene",COc1cc(Cl)c(OC)cc1Cl,COc1cc(Cl)c(OC)cc1Cl,"InChI=1/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3",C8H8Cl2O2,,,,,,PFIADAMVCJPXSF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.386,220-224-4,2675-89-0,"2-chloro-N,N-dimethylacetamide","2-chloro-N,N-dimethylacetamide",CN(C)C(=O)CCl,CN(C)C(=O)CCl,"InChI=1/C4H8ClNO/c1-6(2)4(7)3-5/h3H2,1-2H3",C4H8ClNO,,,,,,XBPPLECAZBTMMK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.392,220-231-2,8/01/2679,"3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride","3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride",[Cl-].CN(C)c1ccc2nc3ccc(N(C)C)c(c3[s+]c2c1)[N+](=O)[O-],[Cl-].CN(C)c1ccc2nc3ccc(N(C)C)c(c3[s+]c2c1)[N+](=O)[O-],"InChI=1/C16H17N4O2S.ClH/c1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22;/h5-9H,1-4H3;1H/q+1;/p-1",C16H17N4O2S.Cl,,,,,,YYGBVRCTHASBKD-UHFFFAOYSA-M,,,,,,,,,,,
100.018.401,220-241-7,2683-43-4,"2,4-dichloro-6-nitroaniline","2,4-dichloro-6-nitroaniline",Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-],Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-],"InChI=1/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2",C6H4Cl2N2O2,,,,,,IZEZAMILKKYOPW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.411,220-252-7,2688-48-4,5-hydroxybenzofuran-2-one,5-hydroxy-1-benzofuran-2(3H)-one,Oc1ccc2OC(=O)Cc2c1,Oc1ccc2OC(=O)Cc2c1,"InChI=1/C8H6O3/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-3,9H,4H2",C8H6O3,,,,,,POUITAHNNRJWMA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.612,223-772-2,4065-45-6,Sulisobenzone,5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid,COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c2ccccc2,COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c2ccccc2,"InChI=1/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)",C14H12O6S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10063,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.612,CXVGEDCSTKKODG-UHFFFAOYSA-N,Positive/Negative,SM880203,[M+H]+,HCD35,230.9959:309.0429:135.0077,CASMI_2016,SM880251;TUE00145|TUE00146|TUE00147;UF418351|UF418352|UF418353|UF418354,[M-H]-;[M-H]-;[M-H]-,HCD35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55,307.0282:227.0714:211.0402;307.0279:227.071:266.9865|307.0278:227.0711:210.0321|79.9573:211.0398:182.0376;307.028|307.028|227.0713:210.0322:228.0429|227.0713:210.0323:228.043,CASMI_2016;Env_Anal_Chem_U_Tuebingen;UFZ
100.021.621,223-782-7,4071-63-0,"4,4a,5,6,7,8-hexahydro-4a,8-dimethylnaphthalen-2(3H)-one","4a,8-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",CC1CCCC2(C)CCC(=O)C=C12,CC1CCCC2(C)CCC(=O)C=C12,"InChI=1/C12H18O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-9H,3-7H2,1-2H3",C12H18O,,,,,,KLTKQWRPJDRMTL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.623,223-784-8,6/08/4072,2-hydroxy-3-methylbenzophenone,(2-hydroxy-3-methylphenyl)(phenyl)methanone,Cc1cccc(C(=O)c2ccccc2)c1O,Cc1cccc(C(=O)c2ccccc2)c1O,"InChI=1/C14H12O2/c1-10-6-5-9-12(13(10)15)14(16)11-7-3-2-4-8-11/h2-9,15H,1H3",C14H12O2,,,,,,CMPDALZGFSCNOU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.375,219-111-2,2362-61-0,trans-2-phenylcyclohexanol,2-phenylcyclohexanol,O[C@H]1CCCC[C@@H]1c2ccccc2,O[C@H]1CCCC[C@@H]1c2ccccc2,"InChI=1/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2",C12H16O,,,,,,AAIBYZBZXNWTPP-NEPJUHHUSA-N,,,,,,,,,,,
100.017.387,219-124-3,2367-19-3,4-(phenylamino)benzenediazonium tetrafluoroborate,4-anilinobenzenediazonium tetrafluoroborate,F[B-](F)(F)F.N#[N+]c1ccc(Nc2ccccc2)cc1,F[B-](F)(F)F.N#[N+]c1ccc(Nc2ccccc2)cc1,"InChI=1/C12H10N3.BF4/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;2-1(3,4)5/h1-9,14H;/q+1;-1",C12H10N3.BF4,,,,,,ITHQYXSDGDYIDN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.389,219-126-4,2367-82-0,"1,2,3,5-tetrafluorobenzene","1,2,3,5-tetrafluorobenzene",Fc1cc(F)c(F)c(F)c1,Fc1cc(F)c(F)c(F)c1,InChI=1/C6H2F4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,C6H2F4,,,,,,UHHYOKRQTQBKSB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.390,219-128-5,1/11/2369,5-fluoro-2-nitroaniline,5-fluoro-2-nitroaniline,Nc1cc(F)ccc1[N+](=O)[O-],Nc1cc(F)ccc1[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2",C6H5FN2O2,,,,,,PEDMFCHWOVJDNW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.393,219-131-1,2369-37-1,"1,2-dibromo-4-fluorobenzene","1,2-dibromo-4-fluorobenzene",Fc1ccc(Br)c(Br)c1,Fc1ccc(Br)c(Br)c1,InChI=1/C6H3Br2F/c7-5-2-1-4(9)3-6(5)8/h1-3H,C6H3Br2F,,,,,,RNTGKISRXVFIIP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.396,219-134-8,2370-61-8,2-hydroxyphenylalanine,2-hydroxyphenylalanine,NC(Cc1ccccc1O)C(=O)O,NC(Cc1ccccc1O)C(=O)O,"InChI=1/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)",C9H11NO3,,,,,,WRFPVMFCRNYQNR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.408,219-147-9,2373-38-8,"Sodium 1,4-bis(1,3-dimethylbutyl) sulphonatosuccinate","sodium 1,4-bis(1,3-dimethylbutoxy)-1,4-dioxobutane-2-sulfonate",[Na+].CC(C)CC(C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(=O)(=O)[O-],[Na+].CC(C)CC(C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(=O)(=O)[O-],"InChI=1/C16H30O7S.Na/c1-10(2)7-12(5)22-15(17)9-14(24(19,20)21)16(18)23-13(6)8-11(3)4;/h10-14H,7-9H2,1-6H3,(H,19,20,21);/q;+1/p-1",C16H30O7S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13128,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.408,BTJYKXPSPBJJDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.017.411,219-151-0,2373-80-0,"trans-3,4-(methylenedioxy)cinnamic acid","3-(1,3-benzodioxol-5-yl)acrylic acid",OC(=O)/C=C/c1ccc2OCOc2c1,OC(=O)/C=C/c1ccc2OCOc2c1,"InChI=1/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)",C10H8O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18457,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.411,QFQYZMGOKIROEC-DUXPYHPUSA-N,,,,,,,,,,,
100.021.406,223-545-8,3952-98-5,Potassium 1-(ß-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate,potassium 1-S-[N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose,[K+].[O-]S(=O)(=O)ON=C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC=C,[K+].[O-]S(=O)(=O)ON=C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC=C,"InChI=1/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1",C10H17NO9S2.K,,,,,,QKFAFSGJTMHRRY-XNTWFIRCSA-M,,,,,,,,,,,
100.018.699,220-569-0,2816-43-5,Triphenylgermanium,triphenylgermanylium,c1ccc(cc1)[Ge+](c2ccccc2)c3ccccc3,c1ccc(cc1)[Ge+](c2ccccc2)c3ccccc3,InChI=1/C18H15Ge/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/q+1,C18H16Ge,,,,,,UCIIAWIQJOYARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.704,220-574-8,2818-66-8,5-aminobenzimidazole-2-thiol,5-amino-1H-benzimidazole-2-thiol,Nc1ccc2[nH]c(S)nc2c1,Nc1ccc2[nH]c(S)nc2c1,"InChI=1/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)",C7H7N3S,,,,,,BXDMTLVCACMNJO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.745,218-418-9,2149-70-4,N<U+03C9>-nitro-L-arginine,N~5~-(nitrocarbamimidoyl)ornithine,NC(CCCNC(=N)NN(=O)=O)C(=O)O,NC(CCCNC(=N)NN(=O)=O)C(=O)O,"InChI=1/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)",C6H13N5O4,,,,,,MRAUNPAHJZDYCK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.746,218-419-4,2149-71-5,7-ß-D-ribofuranosyl-7H-purine,7-beta-D-ribofuranosyl-7H-purine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3ncncc23,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3ncncc23,"InChI=1/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-17H,2H2",C10H12N4O4,,,,,,TXDJXYCWUSYGSN-FDDDBJFASA-N,,,,,,,,,,,
100.018.252,220-076-0,2623-23-6,L-menthyl acetate,2-isopropyl-5-methylcyclohexyl acetate,O=C(C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,O=C(C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,XHXUANMFYXWVNG-ADEWGFFLSA-N,,,,,,,,,,,
100.018.261,220-086-5,2623-95-2,2-bromodecanoic acid,2-bromodecanoic acid,CCCCCCCCC(Br)C(=O)O,CCCCCCCCC(Br)C(=O)O,"InChI=1/C10H19BrO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)",C10H19BrO2,,,,,,KNLOTZNPRIFUAR-UHFFFAOYSA-N,,,,,,,,,,,
100.018.275,220-102-0,2627-98-7,N-[(dimethylamino)methyl]acrylamide,N-[(dimethylamino)methyl]acrylamide,CN(C)CNC(=O)C=C,CN(C)CNC(=O)C=C,"InChI=1/C6H12N2O/c1-4-6(9)7-5-8(2)3/h4H,1,5H2,2-3H3,(H,7,9)",C6H12N2O,,,,,,OOUWNHAYYDNAOD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.278,220-105-7,2629-55-2,DL-3-(2-fluorophenyl)alanine,2-fluorophenylalanine,N[C@@H](Cc1ccccc1F)C(=O)O,N[C@@H](Cc1ccccc1F)C(=O)O,"InChI=1/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10FNO2,,,,,,NYCRCTMDYITATC-QMMMGPOBSA-N,,,,,,,,,,,
100.018.284,220-112-5,2630-39-9,Methyl (1R-trans)-3-oxo-2-pentylcyclopentaneacetate,methyl (3-oxo-2-pentylcyclopentyl)acetate,CCCCC[C@@H]1[C@@H](CC(=O)OC)CCC1=O,CCCCC[C@@H]1[C@@H](CC(=O)OC)CCC1=O,"InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3",C13H22O3,,,,,,KVWWIYGFBYDJQC-GHMZBOCLSA-N,,,,,,,,,,,
100.018.288,220-116-7,2631-72-3,"2-bromo-1-(2,4-dichlorophenyl)ethan-1-one","2-bromo-1-(2,4-dichlorophenyl)ethanone",Clc1ccc(C(=O)CBr)c(Cl)c1,Clc1ccc(C(=O)CBr)c(Cl)c1,"InChI=1/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2",C8H5BrCl2O,,,,,,DASJDMQCPIDJIF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.292,220-120-9,2634-33-5,"1,2-benzisothiazol-3(2H)-one","1,2-benzisothiazol-3(2H)-one",O=C1NSc2ccccc12,O=C1NSc2ccccc12,"InChI=1/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)",C7H5NOS,,,,,,DMSMPAJRVJJAGA-UHFFFAOYSA-N,Positive/Negative,EA030101|EA030102|EA030103|EA030104|EA030105|EA030106|EA030107|EA030108|EA030109|EA030110|EA030111|EA030112|EA030113|EA030114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,109.0106:134.0062:152.0171|152.0163|152.0165:109.011|152.0165:109.0107:105.0336|152.0165:109.0107:134.0059|152.0164:109.0106:134.0059|152.0165:134.0059:109.0107|152.0165:134.0062|152.0165|152.0165:109.0107:134.0059|152.0165:109.0107:134.0059|152.0166:109.0107:134.006|152.0166:134.006:109.0108|109.0106:134.0055:152.0165,Eawag,EA030152|EA030153|EA030154|EA030158|EA030159,[M-H]-,HCD15|HCD30|HCD45|HCD15|HCD30,150.0023|150.0017|150.0019|150.0019|150.0021:130.0174,Eawag
100.018.293,220-121-4,2634-45-9,"Butyl (9Z,12Z)-octadeca-9,12-dienoate","butyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCCCC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCC,"InChI=1/C22H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h9-10,12-13H,3-8,11,14-21H2,1-2H3",C22H40O2,,,,,,SVGGKWILBMPIJV-UTJQPWESSA-N,,,,,,,,,,,
100.018.294,220-123-5,2635-13-4,"5-bromobenzo-1,3-dioxole","5-bromo-1,3-benzodioxole",Brc1ccc2OCOc2c1,Brc1ccc2OCOc2c1,"InChI=1/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2",C7H5BrO2,,,,,,FBOYMIDCHINJKC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.374,224-610-3,4426-83-9,Heptyl isothiocyanate,1-isothiocyanatoheptane,CCCCCCCN=C=S,CCCCCCCN=C=S,"InChI=1/C8H15NS/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3",C8H15NS,,,,,,LIPUQNPCPLDDBO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.252,218-976-3,2305-36-4,4-methylanthranilic acid,2-amino-4-methylbenzoic acid,Cc1ccc(C(=O)O)c(N)c1,Cc1ccc(C(=O)O)c(N)c1,"InChI=1/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)",C8H9NO2,,,,,,RPGKFFKUTVJVPY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.258,218-983-1,2306-92-5,Octyl decanoate,octyl decanoate,CCCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCCC(=O)OCCCCCCCC,"InChI=1/C18H36O2/c1-3-5-7-9-11-12-14-16-18(19)20-17-15-13-10-8-6-4-2/h3-17H2,1-2H3",C18H36O2,,,,,,HRPZGPXWSVHWPB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.262,218-987-3,2307-66-6,3-(4-chloro-2-methylphenoxy)propionic acid,3-(4-chloro-2-methylphenoxy)propanoic acid,Cc1cc(Cl)ccc1OCCC(=O)O,Cc1cc(Cl)ccc1OCCC(=O)O,"InChI=1/C10H11ClO3/c1-7-6-8(11)2-3-9(7)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)",C10H11ClO3,,,,,,ILNCZQXPGNSQRN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.265,218-991-5,2308-18-1,Isopentyl acetoacetate,3-methylbutyl 3-oxobutanoate,CC(C)CCOC(=O)CC(=O)C,CC(C)CCOC(=O)CC(=O)C,"InChI=1/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3",C9H16O3,,,,,,XHRGPLDMNNGHCX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.241,222-264-8,3398-33-2,Sodium undec-10-enoate,sodium undec-10-enoate,[Na+].[O-]C(=O)CCCCCCCCC=C,[Na+].[O-]C(=O)CCCCCCCCC=C,"InChI=1/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1",C11H20O2.Na,,,,,,DKYPZNSPQXLRRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.242,222-265-3,3398-68-3,"p-methoxy-N,a-dimethylphenethylamine hydrochloride",1-(4-methoxyphenyl)-N-methylpropan-2-amine hydrochloride,Cl.CNC(C)Cc1ccc(OC)cc1,Cl.CNC(C)Cc1ccc(OC)cc1,"InChI=1/C11H17NO.ClH/c1-9(12-2)8-10-4-6-11(13-3)7-5-10;/h4-7,9,12H,8H2,1-3H3;1H",C11H17NO.ClH,,,,,,IQZVXWOBOYTPER-UHFFFAOYSA-N,,,,,,,,,,,
100.020.249,222-273-7,3401-73-8,Tetrasodium N-(3-carboxylato-1-oxo-2-sulphonatopropyl)-N-octadecyl-L-aspartate,tetrasodium 2-[(3-carboxylato-2-sulfonatopropanoyl)(octadecyl)amino]succinate,[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C26H47NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(26(33)34)19-23(28)29)25(32)22(20-24(30)31)38(35,36)37;;;;/h21-22H,2-20H2,1H3,(H,28,29)(H,30,31)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4",C26H47NO10S.4Na,,,,,,NFMQQRDRBWZBOH-WZJRWHPNSA-J,,,,,,,,,,,
100.021.377,223-513-3,3934-87-0,"3,4-dihydroxy-5-methoxybenzaldehyde","3,4-dihydroxy-5-methoxybenzaldehyde",COc1cc(C=O)cc(O)c1O,COc1cc(C=O)cc(O)c1O,"InChI=1/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3",C8H8O4,,,,,,RRKMWVISRMWBAL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.380,223-517-5,3937-56-2,"Nonane-1,9-diol","nonane-1,9-diol",OCCCCCCCCCO,OCCCCCCCCCO,"InChI=1/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2",C9H20O2,,,,,,ALVZNPYWJMLXKV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.381,223-518-0,3937-96-0,(4-tolylsulphonyl)acetic acid,[(4-methylphenyl)sulfonyl]acetic acid,Cc1ccc(cc1)S(=O)(=O)CC(=O)O,Cc1ccc(cc1)S(=O)(=O)CC(=O)O,"InChI=1/C9H10O4S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",C9H10O4S,,,,,,AQDHXMBUTDLAMD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.383,223-520-1,3938-95-2,Ethyl pivalate,ethyl pivalate,CCOC(=O)C(C)(C)C,CCOC(=O)C(C)(C)C,"InChI=1/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3",C7H14O2,,,,,,HHEIMYAXCOIQCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.389,223-526-4,3943-77-9,Ethyl veratrate,"ethyl 3,4-dimethoxybenzoate",CCOC(=O)c1ccc(OC)c(OC)c1,CCOC(=O)c1ccc(OC)c(OC)c1,"InChI=1/C11H14O4/c1-4-15-11(12)8-5-6-9(13-2)10(7-8)14-3/h5-7H,4H2,1-3H3",C11H14O4,,,,,,AYYNUGSDPRDVCH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.392,223-530-6,3943-91-7,"Ethyl 2,5-dihydroxybenzoate","ethyl 2,5-dihydroxybenzoate",CCOC(=O)c1cc(O)ccc1O,CCOC(=O)c1cc(O)ccc1O,"InChI=1/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3",C9H10O4,,,,,,GCUPAENRSCPHBM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.395,223-533-2,3944-36-3,1-isopropoxypropan-2-ol,1-isopropoxypropan-2-ol,CC(C)OCC(C)O,CC(C)OCC(C)O,"InChI=1/C6H14O2/c1-5(2)8-4-6(3)7/h5-7H,4H2,1-3H3",C6H14O2,,,,,,AFHJYKBGDDJSRR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.397,223-535-3,3944-72-7,Octanesulphonic acid,octane-1-sulfonic acid,CCCCCCCCS(=O)(=O)O,CCCCCCCCS(=O)(=O)O,"InChI=1/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)",C8H18O3S,,,,,,WLGDAKIJYPIYLR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.401,223-540-0,3947-97-5,"3-phenyl-3-cyclobutene-1,2-dione","3-phenylcyclobut-3-ene-1,2-dione",O=C1C=C(C1=O)c2ccccc2,O=C1C=C(C1=O)c2ccccc2,InChI=1/C10H6O2/c11-9-6-8(10(9)12)7-4-2-1-3-5-7/h1-6H,C10H6O2,,,,,,KLGVPAWHYZDGCX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.779,220-656-3,2850-19-3,Ethyl (4-tolylsulphonyl)acetate,ethyl [(4-methylphenyl)sulfonyl]acetate,CCOC(=O)CS(=O)(=O)c1ccc(C)cc1,CCOC(=O)CS(=O)(=O)c1ccc(C)cc1,"InChI=1/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3",C11H14O4S,,,,,,VDXYJUBMHZEPOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.781,220-658-4,3/08/2851,2-piperidinobenzothiazole,"2-piperidin-1-yl-1,3-benzothiazole",C1CCN(CC1)c2nc3ccccc3s2,C1CCN(CC1)c2nc3ccccc3s2,"InChI=1/C12H14N2S/c1-4-8-14(9-5-1)12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2",C12H14N2S,,,,,,FKZMOBHJSKHLCS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.782,220-660-5,4/09/2851,2-piperidinobenzoxazole,"2-piperidin-1-yl-1,3-benzoxazole",C1CCN(CC1)c2oc3ccccc3n2,C1CCN(CC1)c2oc3ccccc3n2,"InChI=1/C12H14N2O/c1-4-8-14(9-5-1)12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2",C12H14N2O,,,,,,ZSBQPJZYLMTSLO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.789,220-667-3,2855-19-8,Decyloxirane,2-decyloxirane,CCCCCCCCCCC1CO1,CCCCCCCCCCC1CO1,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3",C12H24O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12323,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.789,MPGABYXKKCLIRW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.805,220-685-1,2866-43-5,"2,2'-thiophene-2,5-diylbis(benzoxazole)","2,2'-thiene-2,5-diylbis(1,3-benzoxazole)",o1c(nc2ccccc12)c3ccc(s3)c4oc5ccccc5n4,o1c(nc2ccccc12)c3ccc(s3)c4oc5ccccc5n4,InChI=1/C18H10N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10H,C18H10N2O2S,,,,,,UGFSLKRMHPGLFU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.809,220-689-3,2867-48-3,N-methyl-N-vinylformamide,N-methyl-N-vinylformamide,CN(C=C)C=O,CN(C=C)C=O,"InChI=1/C4H7NO/c1-3-5(2)4-6/h3-4H,1H2,2H3",C4H7NO,,,,,,OFESGEKAXKKFQT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.409,246-666-8,25152-49-2,"9-(2-carboxylatophenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium","2-[3,6-bis(ethylamino)-2,7-dimethylxanthenium-9-yl]benzoate",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)[O-])c2cc1C,CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)[O-])c2cc1C,"InChI=1/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,27-28H,5-6H2,1-4H3",C26H26N2O3,,,,,,ZBGXZBMFISSQPT-UHFFFAOYSA-M,,,,,,,,,,,
100.044.369,248-822-0,28076-90-6,Sodium 2-(octadecylamino)ethanesulphonate,sodium 2-(octadecylamino)ethanesulfonate,[Na+].CCCCCCCCCCCCCCCCCCNCCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCNCCS(=O)(=O)[O-],"InChI=1/C20H43NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-25(22,23)24;/h21H,2-20H2,1H3,(H,22,23,24);/q;+1/p-1",C20H43NO3S.Na,,,,,,UTZSCZWGEMAATM-UHFFFAOYSA-M,,,,,,,,,,,
100.045.879,250-482-3,31140-37-1,"a,a-dimethyl-p-phenylbenzyl hydrogen carbonate , ester with methyl p-hydroxybenzoate",methyl 4-{[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]oxy}benzoate,COC(=O)c1ccc(OC(=O)OC(C)(C)c2ccc(cc2)c3ccccc3)cc1,COC(=O)c1ccc(OC(=O)OC(C)(C)c2ccc(cc2)c3ccccc3)cc1,"InChI=1/C24H22O5/c1-24(2,20-13-9-18(10-14-20)17-7-5-4-6-8-17)29-23(26)28-21-15-11-19(12-16-21)22(25)27-3/h4-16H,1-3H3",C24H22O5,,,,,,PXYPBZYXNPAGFW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.889,250-493-3,31161-71-4,Benzyl myristate,benzyl myristate,CCCCCCCCCCCCCC(=O)OCc1ccccc1,CCCCCCCCCCCCCC(=O)OCc1ccccc1,"InChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(22)23-19-20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3",C21H34O2,,,,,,TUMGCEIAYMZKEM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.896,250-502-0,31173-14-5,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol,2-({1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl}amino)ethanol,CC(Cc1cccc(c1)C(F)(F)F)NCCO,CC(Cc1cccc(c1)C(F)(F)F)NCCO,"InChI=1/C12H16F3NO/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15/h2-4,8-9,16-17H,5-7H2,1H3",C12H16F3NO,,,,,,QAFJMZFAQFGVJS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.897,250-503-6,31180-77-5,"3-(1-ethoxyethoxy)-3,7-dimethyloct-6-ene-1-yne","3-(1-ethoxyethoxy)-3,7-dimethyloct-6-en-1-yne",CCOC(C)OC(C)(CCC=C(C)C)C#C,CCOC(C)OC(C)(CCC=C(C)C)C#C,"InChI=1/C14H24O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h1,10,13H,8-9,11H2,2-6H3",C14H24O2,,,,,,CGENMIVCMHPWGS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.898,250-504-1,31180-93-5,"2-(3,7-dimethylocta-2,6-dienyl)-1,3-dioxolane","2-(3,7-dimethylocta-2,6-dien-1-yl)-1,3-dioxolane",C/C(C)=C\\CCC(C)=CCC1OCCO1,C/C(C)=C\CCC(C)=CCC1OCCO1,"InChI=1/C13H22O2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h5,7,13H,4,6,8-10H2,1-3H3",C13H22O2,,,,,,XCESWGXOHXDKAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.902,250-508-3,31195-17-2,Tribromoethylbenzene,"(1,1,2-tribromoethyl)benzene",BrCC(Br)(Br)c1ccccc1,BrCC(Br)(Br)c1ccccc1,"InChI=1/C8H7Br3/c9-6-8(10,11)7-4-2-1-3-5-7/h1-5H,6H2",C8H7Br3,,,,,,HCWPSDYNAGFUND-UHFFFAOYSA-N,,,,,,,,,,,
100.045.903,250-509-9,31195-95-6,Isobutylphenol,2-isobutylphenol,CC(C)Cc1ccccc1O,CC(C)Cc1ccccc1O,"InChI=1/C10H14O/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3",C10H14O,,,,,,NFIDBGJMFKNGGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.904,250-510-4,31198-76-2,"p-mentha-1(6),8-dien-2-one oxime",5-isopropenyl-2-methylcyclohex-2-en-1-one oxime,C\\C1=C\\CC(CC1=NO)C(C)=C,C\C1=C\CC(CC1=NO)C(C)=C,"InChI=1/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3",C10H15NO,,,,,,JOAADLZWSUDMHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.905,250-512-5,31202-24-1,Sodium acenaphthene-5-sulphonate,"sodium 1,2-dihydroacenaphthylene-5-sulfonate",[Na+].[O-]S(=O)(=O)c1ccc2CCc3cccc1c23,[Na+].[O-]S(=O)(=O)c1ccc2CCc3cccc1c23,"InChI=1/C12H10O3S.Na/c13-16(14,15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;/h1-3,6-7H,4-5H2,(H,13,14,15);/q;+1/p-1",C12H10O3S.Na,,,,,,JRYCCRZEYHRIGD-UHFFFAOYSA-M,,,,,,,,,,,
100.045.906,250-513-0,31215-04-0,Heptyl-2-naphthol,1-heptyl-2-naphthol,CCCCCCCc1c(O)ccc2ccccc12,CCCCCCCc1c(O)ccc2ccccc12,"InChI=1/C17H22O/c1-2-3-4-5-6-11-16-15-10-8-7-9-14(15)12-13-17(16)18/h7-10,12-13,18H,2-6,11H2,1H3",C17H22O,,,,,,ROOZGFKDNMRTJN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.908,250-515-1,31215-94-8,"Cadmium (1,1-dimethylethyl)benzoate",cadmium bis(2-tert-butylbenzoate),[Cd+2].CC(C)(C)c1ccccc1C(=O)[O-].CC(C)(C)c2ccccc2C(=O)[O-],[Cd+2].CC(C)(C)c1ccccc1C(=O)[O-].CC(C)(C)c2ccccc2C(=O)[O-],"InChI=1/2C11H14O2.Cd/c2*1-11(2,3)9-7-5-4-6-8(9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",C11H14O2.1/2Cd,,,,,,OAENBOQRJFURKV-UHFFFAOYSA-L,,,,,,,,,,,
100.045.910,250-517-2,31218-83-4,trans-isopropyl-3-[[(ethylamino)methoxyfosfinothioyl]oxy]crotonate,isopropyl 3-{[(ethylamino)(methoxy)phosphorothioyl]oxy}but-2-enoate,CCNP(=S)(OC)O\\C(=C\\C(=O)OC(C)C)\\C,CCNP(=S)(OC)O\C(=C\C(=O)OC(C)C)\C,"InChI=1/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)",C10H20NO4PS,,,,,,BZNDWPRGXNILMS-VQHVLOKHSA-N,,,,,,,,,,,
100.042.086,246-311-7,24556-65-8,"3,4,5-tribromosalicylanilide","3,4,5-tribromo-2-hydroxy-N-phenylbenzamide",Oc1c(Br)c(Br)c(Br)cc1C(=O)Nc2ccccc2,Oc1c(Br)c(Br)c(Br)cc1C(=O)Nc2ccccc2,"InChI=1/C13H8Br3NO2/c14-9-6-8(12(18)11(16)10(9)15)13(19)17-7-4-2-1-3-5-7/h1-6,18H,(H,17,19)",C13H8Br3NO2,,,,,,WLYIIDKKPCXCLS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.410,223-550-5,3956-62-5,"Disodium 1-[[[1,1'-biphenyl]-4-ylcarbonyl]amino]anthracene-9,10-diyl disulphate","disodium 1-[(biphenyl-4-ylcarbonyl)amino]anthracene-9,10-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c(NC(=O)c4ccc(cc4)c5ccccc5)cccc13,[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c(NC(=O)c4ccc(cc4)c5ccccc5)cccc13,"InChI=1/C27H19NO9S2.2Na/c29-27(19-15-13-18(14-16-19)17-7-2-1-3-8-17)28-23-12-6-11-22-24(23)26(37-39(33,34)35)21-10-5-4-9-20(21)25(22)36-38(30,31)32;;/h1-16H,(H,28,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C27H19NO9S2.2Na,,,,,,HQEPXGMRHLRSMK-UHFFFAOYSA-L,,,,,,,,,,,
100.021.412,223-552-6,3956-80-7,11-formylundecanoic acid,12-oxododecanoic acid,OC(=O)CCCCCCCCCCC=O,OC(=O)CCCCCCCCCCC=O,"InChI=1/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h11H,1-10H2,(H,14,15)",C12H22O3,,,,,,KGEACANGAYABKT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.413,223-553-1,3957-22-0,"5,5'-isopropylidenebis(m-xylene-2,a,a'-triol)","4,4'-propane-2,2-diylbis[2,6-bis(hydroxymethyl)phenol]",CC(C)(c1cc(CO)c(O)c(CO)c1)c2cc(CO)c(O)c(CO)c2,CC(C)(c1cc(CO)c(O)c(CO)c1)c2cc(CO)c(O)c(CO)c2,"InChI=1/C19H24O6/c1-19(2,15-3-11(7-20)17(24)12(4-15)8-21)16-5-13(9-22)18(25)14(6-16)10-23/h3-6,20-25H,7-10H2,1-2H3",C19H24O6,,,,,,ZRIRUWWYQXWRNY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.417,223-557-3,3958-57-4,a-bromo-3-nitrotoluene,1-(bromomethyl)-3-nitrobenzene,[O-][N+](=O)c1cccc(CBr)c1,[O-][N+](=O)c1cccc(CBr)c1,"InChI=1/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2",C7H6BrNO2,,,,,,LNWXALCHPJANMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.421,223-562-0,3959-13-5,Methylphenylsilanediol,methyl(phenyl)silanediol,C[Si](O)(O)c1ccccc1,C[Si](O)(O)c1ccccc1,"InChI=1/C7H10O2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6,8-9H,1H3",C7H10O2Si,,,,,,RBSBUSKLSKHTBA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.433,223-575-1,3964-73-6,"5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one","5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one",O=C1c2ccccc2CCc3cccnc13,O=C1c2ccccc2CCc3cccnc13,"InChI=1/C14H11NO/c16-14-12-6-2-1-4-10(12)7-8-11-5-3-9-15-13(11)14/h1-6,9H,7-8H2",C14H11NO,,,,,,PDPKDRIXAIQZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.434,223-576-7,3964-79-2,"6-11-dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol","11-(1-methylpiperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol",CN1CCC(CC1)C2(O)c3ccccc3CCc4cccnc24,CN1CCC(CC1)C2(O)c3ccccc3CCc4cccnc24,"InChI=1/C20H24N2O/c1-22-13-10-17(11-14-22)20(23)18-7-3-2-5-15(18)8-9-16-6-4-12-21-19(16)20/h2-7,12,17,23H,8-11,13-14H2,1H3",C20H24N2O,,,,,,SREPUDDANOISMH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.435,223-577-2,3965-53-5,"Dimethyl 4,4'-sulphonyldibenzoate","dimethyl 4,4'-sulfonyldibenzoate",COC(=O)c1ccc(cc1)S(=O)(=O)c2ccc(cc2)C(=O)OC,COC(=O)c1ccc(cc1)S(=O)(=O)c2ccc(cc2)C(=O)OC,"InChI=1/C16H14O6S/c1-21-15(17)11-3-7-13(8-4-11)23(19,20)14-9-5-12(6-10-14)16(18)22-2/h3-10H,1-2H3",C16H14O6S,,,,,,YQYRQRUZQNRJIW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.437,223-579-3,3965-63-7,"[(1,1-dimethylethyl)dioxy]trimethylsilane",(tert-butylperoxy)(trimethyl)silane,CC(C)(C)OO[Si](C)(C)C,CC(C)(C)OO[Si](C)(C)C,"InChI=1/C7H18O2Si/c1-7(2,3)8-9-10(4,5)6/h1-6H3",C7H18O2Si,,,,,,XTXFUQOLBKQKJU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.440,223-583-5,3967-54-2,"4-chloro-1,3-dioxolan-2-one","4-chloro-1,3-dioxolan-2-one",ClC1COC(=O)O1,ClC1COC(=O)O1,"InChI=1/C3H3ClO3/c4-2-1-6-3(5)7-2/h2H,1H2",C3H3ClO3,,,,,,OYOKPDLAMOMTEE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.442,223-585-6,3967-57-5,"Ethyl 3-(3,4-dihydroxyphenyl)propionate","ethyl 3-(3,4-dihydroxyphenyl)propanoate",CCOC(=O)CCc1ccc(O)c(O)c1,CCOC(=O)CCc1ccc(O)c(O)c1,"InChI=1/C11H14O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3,5,7,12-13H,2,4,6H2,1H3",C11H14O4,,,,,,MHJZKZOOQLSKTN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.443,223-586-1,3968-15-8,2-ethoxy-5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)benzenesulphonic acid,"2-ethoxy-5-[5-oxo-3-(stearoylamino)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c2ccc(OCC)c(c2)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c2ccc(OCC)c(c2)S(=O)(=O)O,"InChI=1/C29H47N3O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(33)30-27-23-29(34)32(31-27)24-20-21-25(38-4-2)26(22-24)39(35,36)37/h20-22H,3-19,23H2,1-2H3,(H,30,31,33)(H,35,36,37)",C29H47N3O6S,,,,,,HFDAKMRRPSYKME-UHFFFAOYSA-N,,,,,,,,,,,
100.021.444,223-587-7,3968-92-1,sec-butyltriphenylphosphonium bromide,sec-butyl(triphenyl)phosphonium bromide,[Br-].CCC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H24P.BrH/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1",C22H24P.Br,,,,,,HKWAYXKPYJOYEL-UHFFFAOYSA-M,,,,,,,,,,,
100.018.832,220-714-8,2874-74-0,2-methyldodecanoic acid,2-methyldodecanoic acid,CCCCCCCCCCC(C)C(=O)O,CCCCCCCCCCC(C)C(=O)O,"InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h12H,3-11H2,1-2H3,(H,14,15)",C13H26O2,,,,,,ONEKODVPFBOORO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.834,220-716-9,2874-76-2,2-ethyldecanoic acid,2-ethyldecanoic acid,CCCCCCCCC(CC)C(=O)O,CCCCCCCCC(CC)C(=O)O,"InChI=1/C12H24O2/c1-3-5-6-7-8-9-10-11(4-2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)",C12H24O2,,,,,,WJZIPMQUKSTHLV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.274,219-000-9,2311-46-8,Isopropyl hexanoate,isopropyl hexanoate,CCCCCC(=O)OC(C)C,CCCCCC(=O)OC(C)C,"InChI=1/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3",C9H18O2,,,,,,JSHDAORXSNJOBA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.276,219-003-5,2311-91-3,Perphthalic acid,2-carboperoxybenzoic acid,OOC(=O)c1ccccc1C(=O)O,OOC(=O)c1ccccc1C(=O)O,"InChI=1/C8H6O5/c9-7(10)5-3-1-2-4-6(5)8(11)13-12/h1-4,12H,(H,9,10)",C8H6O5,,,,,,GLVYLTSKTCWWJR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.278,219-005-6,2312-23-4,m-chlorophenylhydrazine hydrochloride,(3-chlorophenyl)hydrazine hydrochloride,Cl.NNc1cccc(Cl)c1,Cl.NNc1cccc(Cl)c1,"InChI=1/C6H7ClN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H",C6H7ClN2.ClH,,,,,,CRRIAWUJYMLJOE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.284,219-011-9,2/09/2314,Butyl 9-hydroxy-9H-fluorene-9-carboxylate,butyl 9-hydroxy-9H-fluorene-9-carboxylate,CCCCOC(=O)C1(O)c2ccccc2c3ccccc13,CCCCOC(=O)C1(O)c2ccccc2c3ccccc13,"InChI=1/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3",C18H18O3,,,,,,PSGPXWYGJGGEEG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.286,219-014-5,2314-97-8,Trifluoroiodomethane,trifluoro(iodo)methane,FC(F)(F)I,FC(F)(F)I,"InChI=1/CF3I/c2-1(3,4)5",CF3I,,,,,,VPAYJEUHKVESSD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.292,219-020-8,2315-68-6,Propyl benzoate,propyl benzoate,CCCOC(=O)c1ccccc1,CCCOC(=O)c1ccccc1,"InChI=1/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12O2,,,,,,UDEWPOVQBGFNGE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.293,219-021-3,2315-84-6,"4-acetoxy-3,5-dibromobenzonitrile","2,6-dibromo-4-cyanophenyl acetate",CC(=O)Oc1c(Br)cc(cc1Br)C#N,CC(=O)Oc1c(Br)cc(cc1Br)C#N,"InChI=1/C9H5Br2NO2/c1-5(13)14-9-7(10)2-6(4-12)3-8(9)11/h2-3H,1H3",C9H5Br2NO2,,,,,,FZCAJMPJPVJNPB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.297,219-026-0,2316-64-5,5-bromo-2-hydroxybenzyl alcohol,4-bromo-2-(hydroxymethyl)phenol,OCc1cc(Br)ccc1O,OCc1cc(Br)ccc1O,"InChI=1/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2",C7H7BrO2,,,,,,KNKRHSVKIORZQB-UHFFFAOYSA-N,,,,,,,,,,,
100.022.666,224-931-9,4560-68-3,Trihexadecyl citrate,trihexadecyl citrate,CCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C54H104O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-59-51(55)49-54(58,53(57)61-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-52(56)60-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h58H,4-50H2,1-3H3",C54H104O7,,,,,,PFSILXVOQAJFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.022.667,224-932-4,4562-27-0,1H-pyrimidin-4-one,pyrimidin-4(1H)-one,O=C1C=CNC=N1,O=C1C=CNC=N1,"InChI=1/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",C4H4N2O,,,,,,DNCYBUMDUBHIJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.668,224-934-5,4562-36-1,Gitoxin,"3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@@H](O)C[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H]([C@@H](O)C[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,"InChI=1/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3",C41H64O14,,,,,,LKRDZKPBAOKJBT-CNPIRKNPSA-N,,,,,,,,,,,
100.022.669,224-935-0,4563-33-1,Toluene-a-sulphonamide,1-phenylmethanesulfonamide,NS(=O)(=O)Cc1ccccc1,NS(=O)(=O)Cc1ccccc1,"InChI=1/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)",C7H9NO2S,,,,,,ABOYDMHGKWRPFD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.673,224-939-2,4563-84-2,Sodium N-(5-methylisoxazol-3-yl)sulphanilamidate,sodium [(4-aminophenyl)sulfonyl](5-methylisoxazol-3-yl)azanide,[Na+].Cc1onc([N-]S(=O)(=O)c2ccc(N)cc2)c1,[Na+].Cc1onc([N-]S(=O)(=O)c2ccc(N)cc2)c1,"InChI=1/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1",C10H11N3O3S.Na,,,,,,LARLNXOUTTUXPN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.680,224-947-6,4568-71-2,3-benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride,"3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride",[Cl-].Cc1c(CCO)sc[n+]1Cc2ccccc2,[Cl-].Cc1c(CCO)sc[n+]1Cc2ccccc2,"InChI=1/C13H16NOS.ClH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1",C13H16NOS.Cl,,,,,,IWSVLBKHBJGMAA-UHFFFAOYSA-M,,,,,,,,,,,
100.022.700,224-969-6,4584-43-4,"N2-acetyl-L-asparagine, compound with L-arginine (1:1)",N~2~-acetyl-L-asparagine - L-arginine (1:1),CC(=O)N[C@@H](CC(=O)N)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,CC(=O)N[C@@H](CC(=O)N)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.C6H10N2O4/c7-4(5(11)12)2-1-3-10-6(8)9;1-3(9)8-4(6(11)12)2-5(7)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)",C6H14N4O2.C6H10N2O4,,,,,,XARGBTOLHDUTCP-RZVRUWJTSA-N,,,,,,,,,,,
100.018.811,220-691-4,2868-75-9,"Disodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis(4-aminonaphthalene-1-sulphonate)","disodium 3,3'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonate)",[Na+].[Na+].COc3cc(ccc3N=Nc2cc(c1ccccc1c2N)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5N)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].COc3cc(ccc3N=Nc2cc(c1ccccc1c2N)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5N)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H28N6O8S2.2Na/c1-47-29-15-19(11-13-25(29)37-39-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)35)20-12-14-26(30(16-20)48-2)38-40-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H28N6O8S2.2Na,,,,,,XVJNOIOHMFFFIP-UHFFFAOYSA-L,,,,,,,,,,,
100.018.812,220-693-5,2869-25-2,"2,2'-iminobispropiononitrile","2,2'-iminodipropanenitrile",CC(NC(C)C#N)C#N,CC(NC(C)C#N)C#N,"InChI=1/C6H9N3/c1-5(3-7)9-6(2)4-8/h5-6,9H,1-2H3",C6H9N3,,,,,,DABJAQQQVTVZMF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.817,220-698-2,2870-32-8,"Disodium 4,4'-bis[(4-ethoxyphenyl)azo]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-ethoxyphenyl)diazenyl]benzenesulfonate}",[Na+].[Na+].CCOc1ccc(cc1)N=Nc4ccc(/C=C/c3ccc(N=Nc2ccc(OCC)cc2)cc3S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].CCOc1ccc(cc1)N=Nc4ccc(/C=C/c3ccc(N=Nc2ccc(OCC)cc2)cc3S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C30H28N4O8S2.2Na/c1-3-41-27-15-11-23(12-16-27)31-33-25-9-7-21(29(19-25)43(35,36)37)5-6-22-8-10-26(20-30(22)44(38,39)40)34-32-24-13-17-28(18-14-24)42-4-2;;/h5-20H,3-4H2,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C30H28N4O8S2.2Na,,,,,,YQMJDPHTMKUEHG-ZNBXPSQRSA-L,,,,,,,,,,,
100.016.870,218-557-5,2181-98-8,(4-methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide,(4-methoxy-4-oxobut-2-en-1-yl)(triphenyl)phosphonium bromide,[Br-].COC(=O)C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].COC(=O)C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C23H22O2P.BrH/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-18H,19H2,1H3;1H/q+1;/p-1",C23H22O2P.Br,,,,,,KSTXYAKHACCZSD-UHFFFAOYSA-M,,,,,,,,,,,
100.018.375,220-212-9,2669-95-6,"5-butyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol","5-butyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol",CCCCN1CNC(=NC1)S,CCCCN1CNC(=NC1)S,"InChI=1/C7H15N3S/c1-2-3-4-10-5-8-7(11)9-6-10/h2-6H2,1H3,(H2,8,9,11)",C7H15N3S,,,,,,WSCQSKLSWOQFNU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.376,220-213-4,2670-72-6,Sodium heptonate,"sodium 2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name)",[Na+].OCC(O)C(O)C(O)C(O)C(O)C(=O)[O-],[Na+].OCC(O)C(O)C(O)C(O)C(O)C(=O)[O-],"InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1",C7H14O8.Na,,,,,,FMYOMWCQJXWGEN-UHFFFAOYSA-M,,,,,,,,,,,
100.018.382,220-220-2,2674-15-9,Chlorodihexylaluminium,chloro(dihexyl)aluminum,CCCCCC[Al](Cl)CCCCCC,CCCCCC[Al](Cl)CCCCCC,"InChI=1/2C6H13.Al.ClH/c2*1-3-5-6-4-2;;/h2*1,3-6H2,2H3;;1H/q;;+1;/p-1/rC12H26AlCl/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3",C12H26AlCl,,,,,,DFGSACBYSGUJDZ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.400,220-240-1,2682-45-3,"2-methylnaphtho[1,2-d]thiazole","2-methylnaphtho[1,2-d][1,3]thiazole",Cc1nc2c(ccc3ccccc23)s1,Cc1nc2c(ccc3ccccc23)s1,"InChI=1/C12H9NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3",C12H9NS,,,,,,OUXMJRMYZCEVKO-UHFFFAOYSA-N,Positive,SM814802,[M+H]+,HCD35,200.0528:159.0263:115.0542,CASMI_2016,,,,,
100.018.403,220-243-8,2683-82-1,"2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine","2,3,7,8,12,13,17,18-octaethylporphine",CCC1=C(CC)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)CC)C(=C4CC)CC)C(=C3CC)CC,CCC1=C(CC)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)CC)C(=C4CC)CC)C(=C3CC)CC,"InChI=1/C36H44N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20H,9-16H2,1-8H3",C36H46N4,,,,,,IOHGVYCKSQNOFK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.406,220-246-4,9/12/2687,(3-chloroprop-1-enyl)benzene,(3-chloroprop-1-en-1-yl)benzene,ClCC=Cc1ccccc1,ClCC=Cc1ccccc1,"InChI=1/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2",C9H9Cl,,,,,,IWTYTFSSTWXZFU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.410,220-251-1,2687-97-0,1-(allyl)pyrrolidin-2-one,1-allylpyrrolidin-2-one,C=CCN1CCCC1=O,C=CCN1CCCC1=O,"InChI=1/C7H11NO/c1-2-5-8-6-3-4-7(8)9/h2H,1,3-6H2",C7H11NO,,,,,,DURRSEGFTCZKMK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.413,220-254-8,2688-84-8,2-phenoxyaniline,2-phenoxyaniline,Nc1ccccc1Oc2ccccc2,Nc1ccccc1Oc2ccccc2,"InChI=1/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2",C12H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18904,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.413,NMFFUUFPJJOWHK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.614,223-774-3,4067-14-5,"Aluminium 4-(1,1-dimethylethyl)benzoate",aluminum tris(4-tert-butylbenzoate),[Al+3].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-].CC(C)(C)c3ccc(cc3)C(=O)[O-],[Al+3].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-].CC(C)(C)c3ccc(cc3)C(=O)[O-],"InChI=1/3C11H14O2.Al/c3*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h3*4-7H,1-3H3,(H,12,13);/q;;;+3/p-3",C11H14O2.1/3Al,,,,,,ZGNIGAHODXRWIT-UHFFFAOYSA-K,,,,,,,,,,,
100.042.095,246-321-1,24567-53-1,Chlorophosphorane,phosphinous chloride,PCl,PCl,InChI=1/ClH2P/c1-2/h2H2,ClH4P,,,,,,USJRLGNYCQWLPF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.101,246-327-4,24577-68-2,"2,4,6-trinitrobenzyl alcohol","(2,4,6-trinitrophenyl)methanol",OCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],OCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H5N3O7/c11-3-5-6(9(14)15)1-4(8(12)13)2-7(5)10(16)17/h1-2,11H,3H2",C7H5N3O7,,,,,,IFNVWRBEJGYFNL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.104,246-331-6,24589-78-4,N-methyl-N-(trimethylsilyl)trifluoroacetamide,"2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)acetamide",CN(C(=O)C(F)(F)F)[Si](C)(C)C,CN(C(=O)C(F)(F)F)[Si](C)(C)C,"InChI=1/C6H12F3NOSi/c1-10(12(2,3)4)5(11)6(7,8)9/h1-4H3",C6H12F3NOSi,,,,,,MSPCIZMDDUQPGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.106,246-333-7,24593-49-5,(R)-4-methoxyphenylglycine,N-(4-methoxyphenyl)glycine,COc1ccc(NCC(=O)O)cc1,COc1ccc(NCC(=O)O)cc1,"InChI=1/C9H11NO3/c1-13-8-4-2-7(3-5-8)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)",C9H11NO3,,,,,,NJVJSULZTHOJGT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.107,246-334-2,24593-59-7,O-benzyl-L-histidine bis(toluene-p-sulphonate),benzyl histidinate bis(4-methylbenzenesulfonate),Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.N[C@@H](Cc3c[nH]cn3)C(=O)OCc4ccccc4,Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.N[C@@H](Cc3c[nH]cn3)C(=O)OCc4ccccc4,"InChI=1/C13H15N3O2.2C7H8O3S/c14-12(6-11-7-15-9-16-11)13(17)18-8-10-4-2-1-3-5-10;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7,9,12H,6,8,14H2,(H,15,16);2*2-5H,1H3,(H,8,9,10)",C13H15N3O2.2C7H8O3S,,,,,,FQHRMEOHSXSJBX-LTCKWSDVSA-N,,,,,,,,,,,
100.042.109,246-336-3,24595-14-0,Potassium L-glutamate,dipotassium 2-aminopentanedioate,[K+].[K+].N[C@@H](CCC(=O)[O-])C(=O)[O-],[K+].[K+].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.2K/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C5H9NO4.xK,,,,,,WDRWZVWLVBXVOI-QTNFYWBSSA-L,,,,,,,,,,,
100.042.110,246-337-9,24596-19-8,"4-bromo-2,6-xylidine","4-bromo-2,6-dimethylaniline",Cc1cc(Br)cc(C)c1N,Cc1cc(Br)cc(C)c1N,"InChI=1/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3",C8H10BrN,,,,,,QGLAYJCJLHNIGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.111,246-338-4,24597-12-4,Gallium tetrachlorogallate,gallium tris[tetrachlorogallate(1-)],[Ga+3].Cl[Ga-](Cl)(Cl)Cl.Cl[Ga-](Cl)(Cl)Cl.Cl[Ga-](Cl)(Cl)Cl,[Ga+3].Cl[Ga-](Cl)(Cl)Cl.Cl[Ga-](Cl)(Cl)Cl.Cl[Ga-](Cl)(Cl)Cl,"InChI=1/12ClH.4Ga/h12*1H;;;;/q;;;;;;;;;;;;4*+3/p-12/r3Cl4Ga.Ga/c3*1-5(2,3)4;/q3*-1;+3",Cl4Ga.Ga,,,,,,LNKHPDYBAQHZBQ-UHFFFAOYSA-B,,,,,,,,,,,
100.042.118,246-346-8,24600-88-2,"1-(4-aminophenyl)-4,5-dihydro-1H-pyrazol-3-amine dihydrochloride","1-(4-aminophenyl)-4,5-dihydro-1H-pyrazol-3-amine dihydrochloride",Cl.Cl.NC1=NN(CC1)c2ccc(N)cc2,Cl.Cl.NC1=NN(CC1)c2ccc(N)cc2,"InChI=1/C9H12N4.2ClH/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13;;/h1-4H,5-6,10H2,(H2,11,12);2*1H",C9H12N4.2ClH,,,,,,WJQBNIDQVKPEGS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.124,246-353-6,24610-95-5,Dimethyl [[(1-oxoallyl)amino]methyl]phosphonate,dimethyl [(acryloylamino)methyl]phosphonate,COP(=O)(CNC(=O)C=C)OC,COP(=O)(CNC(=O)C=C)OC,"InChI=1/C6H12NO4P/c1-4-6(8)7-5-12(9,10-2)11-3/h4H,1,5H2,2-3H3,(H,7,8)",C6H12NO4P,,,,,,OLKYWAGUBPTLHH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.751,248-141-9,26960-77-0,Sodium dodecane-1-thiolate,sodium dodecane-1-thiolate,[Na+].CCCCCCCCCCCC[S-],[Na+].CCCCCCCCCCCC[S-],"InChI=1/C12H26S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;/q;+1/p-1",C12H26S.Na,,,,,,XRZRPHKMCVBSLA-UHFFFAOYSA-M,,,,,,,,,,,
100.045.839,250-438-3,31025-14-6,"N-(tert-butoxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-S-(4-methoxybenzyl)-L-cysteine - N-cyclohexylcyclohexanamine (1:1),COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1.C2CCC(CC2)NC3CCCCC3,COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1.C2CCC(CC2)NC3CCCCC3,"InChI=1/C16H23NO5S.C12H23N/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2",C16H23NO5S.C12H23N,,,,,,BZDPSPDPBHDNAR-ZOWNYOTGSA-N,,,,,,,,,,,
100.045.842,250-442-5,31037-84-0,"2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-p-tolyl)butyramide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide",CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(Cl)c(C)c(Cl)c2O,CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(Cl)c(C)c(Cl)c2O,"InChI=1/C27H37Cl2NO3/c1-9-21(25(32)30-20-15-19(28)16(4)23(29)24(20)31)33-22-13-12-17(26(5,6)10-2)14-18(22)27(7,8)11-3/h12-15,21,31H,9-11H2,1-8H3,(H,30,32)",C27H37Cl2NO3,,,,,,GRPPLTVZUQVNQK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.843,250-443-0,31044-12-9,"2-ethylhexyl dihydrogen phosphate, sodium salt",-,[Na+].CCCCC(COP(O)(O)=O)CC,[Na+].CCCCC(COP(O)(O)=O)CC,"InChI=1/C8H19O4P.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+1",C8H19O4P.xNa,,,,,,FFXZJJYYSMVVIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.850,250-450-9,31058-81-8,2-chloro-4-(dimethylamino)pyrimidine,"2-chloro-N,N-dimethylpyrimidin-4-amine",CN(C)c1ccnc(Cl)n1,CN(C)c1ccnc(Cl)n1,"InChI=1/C6H8ClN3/c1-10(2)5-3-4-8-6(7)9-5/h3-4H,1-2H3",C6H8ClN3,,,,,,MTEQLYDOCFPCAX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.840,220-723-7,2878-00-4,"Sodium 7-[2-[[(benzylamino)thioxomethyl]amino]ethyl]-1-phenyl-3,8-dithioxo-9-thia-2,4,7-triazadodecane-12-sulphonate","sodium 7-{2-[(benzylcarbamothioyl)amino]ethyl}-1-phenyl-3,8-dithioxo-9-thia-2,4,7-triazadodecane-12-sulfonate",[Na+].[O-]S(=O)(=O)CCCSC(=S)N(CCNC(=S)NCc1ccccc1)CCNC(=S)NCc2ccccc2,[Na+].[O-]S(=O)(=O)CCCSC(=S)N(CCNC(=S)NCc1ccccc1)CCNC(=S)NCc2ccccc2,"InChI=1/C24H33N5O3S5.Na/c30-37(31,32)17-7-16-36-24(35)29(14-12-25-22(33)27-18-20-8-3-1-4-9-20)15-13-26-23(34)28-19-21-10-5-2-6-11-21;/h1-6,8-11H,7,12-19H2,(H2,25,27,33)(H2,26,28,34)(H,30,31,32);/q;+1/p-1",C24H33N5O3S5.Na,,,,,,CIGRFAIRUWLADG-UHFFFAOYSA-M,,,,,,,,,,,
100.018.843,220-726-3,2879-20-1,"1,4-benzodioxan-6-yl methyl ketone","1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone",CC(=O)c1ccc2OCCOc2c1,CC(=O)c1ccc2OCCOc2c1,"InChI=1/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3",C10H10O3,,,,,,HGVWMTAIIYNQSI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.846,220-730-5,2880-85-5,Zinc phthalate,zinc phthalate,[Zn+2].[O-]C(=O)c1ccccc1C(=O)[O-],[Zn+2].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.Zn/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2",C8H6O4.Zn,,,,,,UXDZLUCNRYCZCG-UHFFFAOYSA-L,,,,,,,,,,,
100.018.850,220-734-7,2882-15-7,5-methoxy-2-methylindol-3-ylacetic acid,(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid,COc1ccc2[nH]c(C)c(CC(=O)O)c2c1,COc1ccc2[nH]c(C)c(CC(=O)O)c2c1,"InChI=1/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)",C12H13NO3,,,,,,TXWGINUZLBAKDF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.861,220-746-2,2886-33-1,"1,2-bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate","1,4-bis(benzyloxy)-1,4-dioxobutan-2-aminium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]C(CC(=O)OCc2ccccc2)C(=O)OCc3ccccc3,Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]C(CC(=O)OCc2ccccc2)C(=O)OCc3ccccc3,"InChI=1/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)",C18H19NO4.C7H8O3S,,,,,,HLMUYZYLPUHSNV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.864,220-749-9,2887-61-8,2'-hydroxybutyrophenone,1-(2-hydroxyphenyl)butan-1-one,CCCC(=O)c1ccccc1O,CCCC(=O)c1ccccc1O,"InChI=1/C10H12O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h3-4,6-7,12H,2,5H2,1H3",C10H12O2,,,,,,GUDQIKIAWOAOFP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.865,220-750-4,2887-72-1,"1-(3,5-dibromo-4-hydroxyphenyl)ethan-1-one","1-(3,5-dibromo-4-hydroxyphenyl)ethanone",CC(=O)c1cc(Br)c(O)c(Br)c1,CC(=O)c1cc(Br)c(O)c(Br)c1,"InChI=1/C8H6Br2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3",C8H6Br2O2,,,,,,ZNWPTJSBHHIXLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.866,220-752-5,2887-98-1,4-phenylbutenone oxime,4-phenylbut-3-en-2-one oxime,CC(C=Cc1ccccc1)=NO,CC(C=Cc1ccccc1)=NO,"InChI=1/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,12H,1H3",C10H11NO,,,,,,OGVPVEBIPIJKEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.870,220-756-7,2888-64-4,"7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-one 4-oxide","7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide",CN1C(=O)CN(=O)=C(c2ccccc2)c3cc(Cl)ccc13,CN1C(=O)CN(=O)=C(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C16H13ClN2O2/c1-18-14-8-7-12(17)9-13(14)16(19(21)10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",C16H13ClN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18603,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.870,FPRDNGOSKVGXHA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.376,222-412-1,3461-31-2,Butyl nonyl phthalate,butyl nonyl phthalate,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC,"InChI=1/C21H32O4/c1-3-5-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-6-4-2/h11-12,14-15H,3-10,13,16-17H2,1-2H3",C21H32O4,,,,,,VDNXOMXXJXUGHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.420,220-262-1,2691-46-5,2-(diethylamino)ethyl a-phenylpiperidine-1-acetate dihydrochloride,2-(diethylamino)ethyl phenyl(piperidin-1-yl)acetate dihydrochloride,Cl.Cl.CCN(CC)CCOC(=O)C(N1CCCCC1)c2ccccc2,Cl.Cl.CCN(CC)CCOC(=O)C(N1CCCCC1)c2ccccc2,"InChI=1/C19H30N2O2.2ClH/c1-3-20(4-2)15-16-23-19(22)18(17-11-7-5-8-12-17)21-13-9-6-10-14-21;;/h5,7-8,11-12,18H,3-4,6,9-10,13-16H2,1-2H3;2*1H",C19H30N2O2.2ClH,,,,,,AENXFXORLQIJDC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.427,220-270-5,2696-43-7,Nonyl methacrylate,nonyl methacrylate,CCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCOC(=O)C(=C)C,"InChI=1/C13H24O2/c1-4-5-6-7-8-9-10-11-15-13(14)12(2)3/h2,4-11H2,1,3H3",C13H24O2,,,,,,LKEDKQWWISEKSW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.429,220-272-6,2696-85-7,o-butyl-aniline,2-butylaniline,CCCCc1ccccc1N,CCCCc1ccccc1N,"InChI=1/C10H15N/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3",C10H15N,,,,,,HDVUPIFFKAHPJY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.430,220-273-1,2696-92-6,Nitrosyl chloride,-,ClN=O,ClN=O,InChI=1/ClNO/c1-2-3,ClNO,,,,,,VPCDQGACGWYTMC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.706,224-975-9,2/04/4589,"5-hydroxy-3,4-bis(hydroxymethyl)-6-methylpyridinium dihydrogen citrate","3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridinium dihydrogen citrate",Cc1[nH+]cc(CO)c(CO)c1O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],Cc1[nH+]cc(CO)c(CO)c1O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C8H11NO3.C6H8O7/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,10-12H,3-4H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C8H11NO3.C6H8O7,,,,,,DYAXNXLVEDEAER-UHFFFAOYSA-L,,,,,,,,,,,
100.022.710,224-980-6,4591-28-0,Dichloroketene,dichloroethenone,ClC(=C=O)Cl,ClC(=C=O)Cl,InChI=1/C2Cl2O/c3-2(4)1-5,C2Cl2O,,,,,,TVWWMKZMZALOFP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.706,220-576-9,2818-76-0,5-chloro-1-ethyl-2-methyl-benzimidazole,5-chloro-1-ethyl-2-methyl-1H-benzimidazole,CCn1c(C)nc2cc(Cl)ccc12,CCn1c(C)nc2cc(Cl)ccc12,"InChI=1/C10H11ClN2/c1-3-13-7(2)12-9-6-8(11)4-5-10(9)13/h4-6H,3H2,1-2H3",C10H11ClN2,,,,,,WOUUWYXDNDKIGX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.708,220-579-5,2818-89-5,"2,5-dimethylbenzoselenazole","2,5-dimethyl-1,3-benzoselenazole",CC1=Nc2cc(C)ccc2[Se]1,CC1=Nc2cc(C)ccc2[Se]1,"InChI=1/C9H9NSe/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3",C9H9NSe,,,,,,HZGFZMGOLYMNGC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.713,220-584-2,2825-60-7,Formocortal,"2-[2-(2-chloroethoxy)-4b-fluoro-12-formyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate",CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CC(=C5C=C(CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C)OCCCl)C=O,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CC(=C5C=C(CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C)OCCCl)C=O,"InChI=1/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3",C29H38ClFO8,,,,,,QNXUUBBKHBYRFW-QWAPGEGQSA-N,,,,,,,,,,,
100.018.717,220-588-4,2827-46-5,"N,N',N''-trimethyl-1,3,5-triazine-2,4,6-triamine","N,N',N''-trimethyl-1,3,5-triazine-2,4,6-triamine",CNc1nc(NC)nc(NC)n1,CNc1nc(NC)nc(NC)n1,"InChI=1/C6H12N6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3,(H3,7,8,9,10,11,12)",C6H12N6,,,,,,LGEXGKUJMFHVSY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.720,220-592-6,2829-42-7,"Disodium 3,3'-[carbonylbis(imino-4,1-phenyleneazo)]bis[6-hydroxybenzoate]",disodium 5-({4-[({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(NC(=O)Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)cc4,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(NC(=O)Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)cc4,"InChI=1/C27H20N6O7.2Na/c34-23-11-9-19(13-21(23)25(36)37)32-30-17-5-1-15(2-6-17)28-27(40)29-16-3-7-18(8-4-16)31-33-20-10-12-24(35)22(14-20)26(38)39;;/h1-14,34-35H,(H,36,37)(H,38,39)(H2,28,29,40);;/q;2*+1/p-2",C27H20N6O7.2Na,,,,,,FCCOTXHFDDRSDO-UHFFFAOYSA-L,,,,,,,,,,,
100.018.721,220-593-1,2829-43-8,"Tetrasodium 5,5'-[carbonylbis[imino(2-sulphonato-4,1-phenylene)azo]]bis(6-amino-4-hydroxynaphthalene-2-sulphonate)",tetrasodium 6-amino-5-({4-[({4-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]-3-sulfonatophenyl}carbamoyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(N)c6N=Nc2ccc(cc2S([O-])(=O)=O)NC(=O)Nc5ccc(N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O)c(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(N)c6N=Nc2ccc(cc2S([O-])(=O)=O)NC(=O)Nc5ccc(N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O)c(c5)S([O-])(=O)=O,"InChI=1/C33H26N8O15S4.4Na/c34-21-5-1-15-9-19(57(45,46)47)13-25(42)29(15)31(21)40-38-23-7-3-17(11-27(23)59(51,52)53)36-33(44)37-18-4-8-24(28(12-18)60(54,55)56)39-41-32-22(35)6-2-16-10-20(58(48,49)50)14-26(43)30(16)32;;;;/h1-14,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C33H26N8O15S4.4Na,,,,,,ZXRQHEAKVNYRIS-UHFFFAOYSA-J,,,,,,,,,,,
100.018.722,220-594-7,2829-84-7,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenol hydrochloride,4-[2-hydroxy-3-(isopropylamino)propoxy]phenol hydrochloride,Cl.CC(C)NCC(O)COc1ccc(O)cc1,Cl.CC(C)NCC(O)COc1ccc(O)cc1,"InChI=1/C12H19NO3.ClH/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12;/h3-6,9,11,13-15H,7-8H2,1-2H3;1H",C12H19NO3.ClH,,,,,,WDXYIFGETVGLBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.724,220-596-8,8/12/2830,"N,N,N',N',N'',N''-hexaallyl-1,3,5-triazine-2,4,6-triamine","N,N,N',N',N'',N''-hexaallyl-1,3,5-triazine-2,4,6-triamine",C=CCN(CC=C)c1nc(nc(n1)N(CC=C)CC=C)N(CC=C)CC=C,C=CCN(CC=C)c1nc(nc(n1)N(CC=C)CC=C)N(CC=C)CC=C,"InChI=1/C21H30N6/c1-7-13-25(14-8-2)19-22-20(26(15-9-3)16-10-4)24-21(23-19)27(17-11-5)18-12-6/h7-12H,1-6,13-18H2",C21H30N6,,,,,,MCGWUHXQWMFRNN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.726,220-598-9,2832-19-1,2-chloro-N-(hydroxymethyl)acetamide,2-chloro-N-(hydroxymethyl)acetamide,OCNC(=O)CCl,OCNC(=O)CCl,"InChI=1/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)",C3H6ClNO2,,,,,,TXNSZCSYBXHETP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.728,220-600-8,2832-40-8,N-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]acetamide,N-{4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl}acetamide,Oc2ccc(C)cc2N=Nc1ccc(NC(C)=O)cc1,Oc2ccc(C)cc2N=Nc1ccc(NC(C)=O)cc1,"InChI=1/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)",C15H15N3O2,,,,,,PXOZAFXVEWKXED-UHFFFAOYSA-N,,,,,,,,,,,
100.018.732,220-605-5,2834-84-6,Carbazamidine sulphate,hydrazinecarboximidamide sulfate,NNC(=N)N.OS(=O)(=O)O,NNC(=N)N.OS(=O)(=O)O,"InChI=1/CH6N4.H2O4S/c2-1(3)5-4;1-5(2,3)4/h4H2,(H4,2,3,5);(H2,1,2,3,4)",CH6N4.H2O4S,,,,,,XLONNWGCEFSFTN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.622,223-783-2,4071-88-9,Ethyl trimethylsilylacetate,ethyl (trimethylsilyl)acetate,CCOC(=O)C[Si](C)(C)C,CCOC(=O)C[Si](C)(C)C,"InChI=1/C7H16O2Si/c1-5-9-7(8)6-10(2,3)4/h5-6H2,1-4H3",C7H16O2Si,,,,,,QQFBQBDINHJDMN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.376,219-112-8,2363-59-9,"(17ß).-hydroxyandrosta-1,4-dien-3-one acetate","3-oxoandrosta-1,4-dien-17-yl acetate",CC(=O)OC1CCC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C,CC(=O)OC1CCC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C,"InChI=1/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3",C21H28O3,,,,,,KPCDGGNHYODURF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.379,219-115-4,2363-89-5,Oct-2-enal,oct-2-enal,CCCCCC=CC=O,CCCCCC=CC=O,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3",C8H14O,,,,,,LVBXEMGDVWVTGY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.380,219-117-5,2363-97-5,4-[[4-(diethylamino)-2-methylphenyl]imino]naphthalen-1(4H)-one,4-{[4-(diethylamino)-2-methylphenyl]imino}naphthalen-1(4H)-one,CCN(CC)c3ccc(N=C2\\C=C/C(=O)c1ccccc12)c(C)c3,CCN(CC)c3ccc(N=C2\C=C/C(=O)c1ccccc12)c(C)c3,"InChI=1/C21H22N2O/c1-4-23(5-2)16-10-11-19(15(3)14-16)22-20-12-13-21(24)18-9-7-6-8-17(18)20/h6-14H,4-5H2,1-3H3",C21H22N2O,,,,,,BJKWNGBNEAYVDW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.388,219-125-9,2367-76-2,"1-bromo-2,4,6-trifluorobenzene","2-bromo-1,3,5-trifluorobenzene",Fc1cc(F)c(Br)c(F)c1,Fc1cc(F)c(Br)c(F)c1,InChI=1/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H,C6H2BrF3,,,,,,PZBSPSOGEVCRQI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.395,219-133-2,2370-18-5,"2,6-di-tert-butyl-a-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-p-tolyloxy","2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)cyclohexa-2,5-dien-1-one",CC(C)(C)C1=CC(=Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C,CC(C)(C)C1=CC(=Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C,"InChI=1/C29H42O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h13-17,30H,1-12H3",C29H41O2,,,,,,HRLDHROCDBYHAU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.401,219-140-0,2371-13-3,Oct-2-enyl acetate,oct-2-en-1-yl acetate,CC(=O)OCC=CCCCCC,CC(=O)OCC=CCCCCC,"InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3",C10H18O2,,,,,,MBRLTLPMVMFRTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.402,219-141-6,2371-17-7,"3,3-dimethoxybutan-2-ol","3,3-dimethoxybutan-2-ol",COC(C)(OC)C(C)O,COC(C)(OC)C(C)O,"InChI=1/C6H14O3/c1-5(7)6(2,8-3)9-4/h5,7H,1-4H3",C6H14O3,,,,,,DXWNUMKRJFXZMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.409,219-148-4,2373-51-5,Chloromethyl methyl sulphide,chloro(methylsulfanyl)methane,CSCCl,CSCCl,"InChI=1/C2H5ClS/c1-4-2-3/h2H2,1H3",C2H5ClS,,,,,,JWMLCCRPDOIBAV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.405,223-544-2,3952-78-1,"3,4-dihydroxyanthraquinon-2-ylmethyliminodi(acetic acid)","2,2'-{[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]imino}diacetic acid",OC(=O)CN(CC(=O)O)Cc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O,OC(=O)CN(CC(=O)O)Cc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O,"InChI=1/C19H15NO8/c21-13(22)7-20(8-14(23)24)6-9-5-12-15(19(28)16(9)25)18(27)11-4-2-1-3-10(11)17(12)26/h1-5,25,28H,6-8H2,(H,21,22)(H,23,24)",C19H15NO8,,,,,,PWIGYBONXWGOQE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.407,223-546-3,4/10/3953,2-ethylbutyl acrylate,2-ethylbutyl acrylate,CCC(CC)COC(=O)C=C,CCC(CC)COC(=O)C=C,"InChI=1/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h6,8H,3-5,7H2,1-2H3",C9H16O2,,,,,,JGRXEBOFWPLEAV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.411,223-551-0,3956-73-8,"N,N,N',N'-tetrakis[4-(diethylamino)phenyl]benzene-1,4-diamine","N-(4-{bis[4-(diethylamino)phenyl]amino}phenyl)-N-[4-(diethylamino)phenyl]-N',N'-diethylbenzene-1,4-diamine",CCN(CC)c1ccc(cc1)N(c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(c4ccc(cc4)N(CC)CC)c5ccc(cc5)N(CC)CC,CCN(CC)c1ccc(cc1)N(c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(c4ccc(cc4)N(CC)CC)c5ccc(cc5)N(CC)CC,"InChI=1/C46H60N6/c1-9-47(10-2)37-17-25-41(26-18-37)51(42-27-19-38(20-28-42)48(11-3)12-4)45-33-35-46(36-34-45)52(43-29-21-39(22-30-43)49(13-5)14-6)44-31-23-40(24-32-44)50(15-7)16-8/h17-36H,9-16H2,1-8H3",C46H60N6,,,,,,CEASIDDAJACXTG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.422,223-563-6,2/05/3960,"Hexahydro-1,3,5-tris(3-methoxypropyl)-1,3,5-triazine","1,3,5-tris(3-methoxypropyl)-1,3,5-triazinane",COCCCN1CN(CCCOC)CN(CCCOC)C1,COCCCN1CN(CCCOC)CN(CCCOC)C1,"InChI=1/C15H33N3O3/c1-19-10-4-7-16-13-17(8-5-11-20-2)15-18(14-16)9-6-12-21-3/h4-15H2,1-3H3",C15H33N3O3,,,,,,BYWNSSMFBBZKMO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.424,223-565-7,3963-62-0,"2,2-diphenylethylamine","2,2-diphenylethanamine",NCC(c1ccccc1)c2ccccc2,NCC(c1ccccc1)c2ccccc2,"InChI=1/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2",C14H15N,,,,,,RXMTUVIKZRXSSM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.436,223-578-8,3965-55-7,Sodium dimethyl 5-sulphonatoisophthalate,"sodium 3,5-bis(methoxycarbonyl)benzenesulfonate",[Na+].COC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)OC,[Na+].COC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)OC,"InChI=1/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1",C10H10O7S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5415,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.436,LLHSEQCZSNZLRI-UHFFFAOYSA-M,,,,,,,,,,,
100.021.438,223-580-9,3966-32-3,(R)-(-)-alpha-methoxyphenylacetic acid,methoxy(phenyl)acetic acid,CO[C@@H](C(=O)O)c1ccccc1,CO[C@@H](C(=O)O)c1ccccc1,"InChI=1/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)",C9H10O3,,,,,,DIWVBIXQCNRCFE-MRVPVSSYSA-N,,,,,,,,,,,
100.045.851,250-451-4,31065-89-1,[2-(diphenylmethoxy)ethyl]trimethylammonium bromide,"2-(diphenylmethoxy)-N,N,N-trimethylethanaminium bromide",[Br-].C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2,[Br-].C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2,"InChI=1/C18H24NO.BrH/c1-19(2,3)14-15-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1",C18H24NO.Br,,,,,,BDQPXVWYFLTETB-UHFFFAOYSA-M,,,,,,,,,,,
100.045.855,250-456-1,31084-16-9,Methyl 3-(diethylamino)-2-methylpropionate,methyl 3-(diethylamino)-2-methylpropanoate,CCN(CC)CC(C)C(=O)OC,CCN(CC)CC(C)C(=O)OC,"InChI=1/C9H19NO2/c1-5-10(6-2)7-8(3)9(11)12-4/h8H,5-7H2,1-4H3",C9H19NO2,,,,,,LIERAMMEIVRHCW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.859,250-460-3,31089-49-3,4-benzyl-2-chlorophenol,4-benzyl-2-chlorophenol,Oc1ccc(Cc2ccccc2)cc1Cl,Oc1ccc(Cc2ccccc2)cc1Cl,"InChI=1/C13H11ClO/c14-12-9-11(6-7-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2",C13H11ClO,,,,,,SBMDBLZQVGUFAI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.873,250-476-0,31113-23-2,Ammonium tetrachloroaurate,ammonium tetrachloroaurate(1-),[NH4+].Cl[Au-](Cl)(Cl)Cl,[NH4+].Cl[Au-](Cl)(Cl)Cl,"InChI=1/Au.4ClH.H3N/h;4*1H;1H3/q+3;;;;;/p-3/rAuCl4.H3N/c2-1(3,4)5;/h;1H3/q-1;/p+1",AuCl4.H4N,,,,,,WPEJSSRSFRWYJB-UHFFFAOYSA-K,,,,,,,,,,,
100.040.507,244-574-2,21763-71-3,"5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl]-2-(4-hydroxyphenyl)-4-benzopyrone","5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-4H-chromen-4-one",COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(c3)c4c(O)cc(O)c5C(=O)C=C(Oc45)c6ccc(O)cc6,COc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(c3)c4c(O)cc(O)c5C(=O)C=C(Oc45)c6ccc(O)cc6,"InChI=1/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3",C31H20O10,,,,,,TYUMAYSMJLPFAN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.416,246-674-1,25155-15-1,Cymene,1-isopropyl-4-methylbenzene,CC(C)c1ccc(C)cc1,CC(C)c1ccc(C)cc1,"InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",C10H14,,,,,,HFPZCAJZSCWRBC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.422,246-680-4,25155-30-0,Sodium dodecylbenzenesulfonate,sodium 2-dodecylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCCCC,[Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCCCC,"InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1",C18H30O3S.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11639,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.422,HFQQZARZPUDIFP-UHFFFAOYSA-M,,,,,,,,,,,
100.042.427,246-686-7,25165-45-1,Barium pentafluoroaluminate,barium pentafluoroaluminate(2-),[Ba+2].F[Al-2](F)(F)(F)F,[Ba+2].F[Al-2](F)(F)(F)F,"InChI=1/Al.Ba.5FH/h;;5*1H/q+3;+2;;;;;/p-5/rAlF5.Ba/c2-1(3,4,5)6;/q-2;+2",AlF5.Ba,,,,,,SDZCQEZKLVAFLW-UHFFFAOYSA-I,,,,,,,,,,,
100.042.431,246-690-9,25167-70-8,"2,4,4-trimethylpentene","2,4,4-trimethylpent-1-ene",CC(=C)CC(C)(C)C,CC(=C)CC(C)(C)C,"InChI=1/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3",C8H16,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14774,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.431,FXNDIJDIPNCZQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.434,246-694-0,25167-82-2,Trichlorophenol,"2,3,4-trichlorophenol",Oc1ccc(Cl)c(Cl)c1Cl,Oc1ccc(Cl)c(Cl)c1Cl,"InChI=1/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H",C6H3Cl3O,,,,,,HSQFVBWFPBKHEB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.440,246-700-1,25168-15-4,"Isooctyl (2,4,5-trichlorophenoxy)acetate","3-ethylhexyl (2,4,5-trichlorophenoxy)acetate",CCCC(CC)CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCCC(CC)CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C16H21Cl3O3/c1-3-5-11(4-2)6-7-21-16(20)10-22-15-9-13(18)12(17)8-14(15)19/h8-9,11H,3-7,10H2,1-2H3",C16H21Cl3O3,,,,,,AUJUFEAAGGBXNH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.447,246-708-5,25176-60-7,Tripropoxypropylsilane,tripropoxy(propyl)silane,CCCO[Si](CCC)(OCCC)OCCC,CCCO[Si](CCC)(OCCC)OCCC,"InChI=1/C12H28O3Si/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h5-12H2,1-4H3",C12H28O3Si,,,,,,VUWVDNLZJXLQPT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.450,246-711-1,25177-16-6,1-amino-4-hydroxy-2-[[a-(2-oxo-1-pyrrolidinyl)-p-tolyl]oxy]anthraquinone,"1-amino-4-hydroxy-2-{4-[(2-oxopyrrolidin-1-yl)methyl]phenoxy}-9,10-anthraquinone",Nc1c(Oc2ccc(CN3CCCC3=O)cc2)cc(O)c4C(=O)c5ccccc5C(=O)c14,Nc1c(Oc2ccc(CN3CCCC3=O)cc2)cc(O)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C25H20N2O5/c26-23-19(32-15-9-7-14(8-10-15)13-27-11-3-6-20(27)29)12-18(28)21-22(23)25(31)17-5-2-1-4-16(17)24(21)30/h1-2,4-5,7-10,12,28H,3,6,11,13,26H2",C25H20N2O5,,,,,,NCHYZOPWMDHYNR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.451,246-712-7,25180-11-4,"4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl]azo]-6-sulphonaphthyl]azo]naphthyl]azo]naphthalene-2,7-disulphonic acid","4-{[4-({4-[(6-anilino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]-6-sulfo-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S(O)(=O)=O)c5cc(ccc56)S(O)(=O)=O)c7ccccc78)S(O)(=O)=O,OS(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S(O)(=O)=O)c5cc(ccc56)S(O)(=O)=O)c7ccccc78)S(O)(=O)=O,"InChI=1/C46H31N7O14S4/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)",C46H31N7O14S4,,,,,,FEPFZIRBHFDQOT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.435,220-278-9,2698-41-1,[(2-chlorophenyl)methylene]malononitrile,(2-chlorobenzylidene)malononitrile,Clc1ccccc1C=C(C#N)C#N,Clc1ccccc1C=C(C#N)C#N,InChI=1/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H,C10H5ClN2,,,,,,JJNZXLAFIPKXIG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.438,220-282-0,2700-16-5,Triethylmethylammonium bromide,"N,N-diethyl-N-methylethanaminium bromide",[Br-].CC[N+](C)(CC)CC,[Br-].CC[N+](C)(CC)CC,"InChI=1/C7H18N.BrH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1",C7H18N.Br,,,,,,GRVPDGGTLNKOBZ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.439,220-283-6,2700-22-3,"Beta,beta-styrenedicarbonitrile",benzylidenemalononitrile,N#CC(=Cc1ccccc1)C#N,N#CC(=Cc1ccccc1)C#N,InChI=1/C10H6N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-6H,C10H6N2,,,,,,WAVNYPVYNSIHNC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.444,220-288-3,2702-44-5,"Methyl 4-[2-(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate","methyl 4-[2-(5,6-dimethyl-1,3-benzoxazol-2-yl)vinyl]benzoate",COC(=O)c1ccc(\\C=C\\c2oc3cc(C)c(C)cc3n2)cc1,COC(=O)c1ccc(\C=C\c2oc3cc(C)c(C)cc3n2)cc1,"InChI=1/C19H17NO3/c1-12-10-16-17(11-13(12)2)23-18(20-16)9-6-14-4-7-15(8-5-14)19(21)22-3/h4-11H,1-3H3",C19H17NO3,,,,,,QLAXRNXBCBELEB-RMKNXTFCSA-N,,,,,,,,,,,
100.018.447,220-292-5,2705-87-5,Allyl 3-cyclohexylpropionate,allyl 3-cyclohexylpropanoate,C=CCOC(=O)CCC1CCCCC1,C=CCOC(=O)CCC1CCCCC1,"InChI=1/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2",C12H20O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12564,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.447,TWXUTZNBHUWMKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.449,220-294-6,2706-38-9,N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]glycine,N-[(benzyloxy)carbonyl]-D-leucylglycine,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O,"InChI=1/C16H22N2O5/c1-11(2)8-13(15(21)17-9-14(19)20)18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)",C16H22N2O5,,,,,,YJNQRRCNDSQTQO-ZDUSSCGKSA-N,,,,,,,,,,,
100.018.451,220-296-7,2706-67-4,"12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione monomethanesulphonate","12'-hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman methanesulfonate (salt)",CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.CS(=O)(=O)O,CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.CS(=O)(=O)O,"InChI=1/C31H39N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)",C31H39N5O5.CH4O3S,,,,,,JSSWJSBXBKEBMS-CWNVUFIVSA-N,,,,,,,,,,,
100.018.456,220-301-2,2706-91-4,Perfluoropentane-1-sulphonic acid,"1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)",C5HF11O3S,,,,,,ACEKLXZRZOWKRY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.457,220-302-8,2708-77-2,4-fluoroglutamic acid,4-fluoroglutamic acid,NC(CC(F)C(=O)O)C(=O)O,NC(CC(F)C(=O)O)C(=O)O,"InChI=1/C5H8FNO4/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)",C5H8FNO4,,,,,,JPSHPWJJSVEEAX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.464,220-310-1,2712-93-8,Dichlorofluoromethanesulphenyl chloride,dichloro(fluoro)methanesulfenyl chloride,FC(Cl)(Cl)SCl,FC(Cl)(Cl)SCl,"InChI=1/CCl3FS/c2-1(3,5)6-4",CCl3FS,,,,,,KDRSHFSCTSFYGH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.418,219-158-9,7/08/2378,"1,1,1,3,3-pentachloro-3-fluoroacetone","1,1,1,3,3-pentachloro-3-fluoroacetone",FC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,FC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,"InChI=1/C3Cl5FO/c4-2(5,6)1(10)3(7,8)9",C3Cl5FO,,,,,,VODZXUJSDKOZEW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.421,219-162-0,2379-55-7,"2,3-dimethylquinoxaline","2,3-dimethylquinoxaline",Cc1nc2ccccc2nc1C,Cc1nc2ccccc2nc1C,"InChI=1/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3",C10H10N2,,,,,,FKHNZQFCDGOQGV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.425,219-166-2,2379-77-3,"2,9-bis(4-chlorophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(4-chlorophenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",Clc1ccc(cc1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(Cl)cc9,Clc1ccc(cc1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(Cl)cc9,InChI=1/C36H16Cl2N2O4/c37-17-1-5-19(6-2-17)39-33(41)25-13-9-21-23-11-15-27-32-28(36(44)40(35(27)43)20-7-3-18(38)4-8-20)16-12-24(30(23)32)22-10-14-26(34(39)42)31(25)29(21)22/h1-16H,C36H16Cl2N2O4,,,,,,ILYBWLBYEIZMCE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.431,219-173-0,2380-36-1,"3,5-di-tert-butylaniline","3,5-di-tert-butylaniline",CC(C)(C)c1cc(N)cc(c1)C(C)(C)C,CC(C)(C)c1cc(N)cc(c1)C(C)(C)C,"InChI=1/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3",C14H23N,,,,,,MJKNHXCPGXUEDO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.435,219-177-2,2380-94-1,4-hydroxyindole,1H-indol-4-ol,Oc1cccc2[nH]ccc12,Oc1cccc2[nH]ccc12,"InChI=1/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H",C8H7NO,,,,,,NLMQHXUGJIAKTH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.457,219-201-1,2386-54-1,Sodium butane-1-sulphonate,sodium butane-1-sulfonate,[Na+].CCCCS(=O)(=O)[O-],[Na+].CCCCS(=O)(=O)[O-],"InChI=1/C4H10O3S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1",C4H10O3S.Na,,,,,,XQCHMGAOAWZUPI-UHFFFAOYSA-M,,,,,,,,,,,
100.018.739,220-612-3,2835-68-9,p-aminobenzamide,4-aminobenzamide,NC(=O)c1ccc(N)cc1,NC(=O)c1ccc(N)cc1,"InChI=1/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)",C7H8N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11042,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.739,QIKYZXDTTPVVAC-UHFFFAOYSA-N,Positive,SM865901;UF413601|UF413602|UF413603|UF413604,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,120.0444:137.0709:94.0651;120.0449:94.0655:137.0716|120.0449:92.0498:94.0655|120.0448:137.0715:94.0655|120.0448:94.0655,CASMI_2016;UFZ,,,,,
100.018.742,220-616-5,2835-81-6,(±)-2-aminobutyric acid,2-aminobutanoic acid,CCC(N)C(=O)O,CCC(N)C(=O)O,"InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2,,,,,,QWCKQJZIFLGMSD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.743,220-617-0,2835-82-7,DL-3-aminobutyric acid,3-aminobutanoic acid,CC(N)CC(=O)O,CC(N)CC(=O)O,"InChI=1/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2,,,,,,OQEBBZSWEGYTPG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.254,222-278-4,3403-79-0,"14-amino-3,6,9,12-tetraazatetradecan-1-ol","14-amino-3,6,9,12-tetraazatetradecan-1-ol",NCCNCCNCCNCCNCCO,NCCNCCNCCNCCNCCO,"InChI=1/C10H27N5O/c11-1-2-12-3-4-13-5-6-14-7-8-15-9-10-16/h12-16H,1-11H2",C10H27N5O,,,,,,LWRORSVTLSYHQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.299,220-128-2,2636-17-1,Barium tetracosanoate,barium ditetracosanoate,[Ba+2].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C24H48O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2*2-23H2,1H3,(H,25,26);/q;;+2/p-2",C24H48O2.1/2Ba,,,,,,XMWCCOVIJXJJLG-UHFFFAOYSA-L,,,,,,,,,,,
100.018.300,220-129-8,2636-18-2,Barium heptadecanoate,barium diheptadecanoate,[Ba+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C17H34O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2",C17H34O2.1/2Ba,,,,,,SKNHKEHTGOJLQL-UHFFFAOYSA-L,,,,,,,,,,,
100.018.305,220-135-0,2638-94-0,"4,4'-azobis[4-cyanovaleric] acid","4,4'-diazene-1,2-diylbis(4-cyanopentanoic acid)",OC(=O)CCC(C)(N=NC(C)(C#N)CCC(O)=O)C#N,OC(=O)CCC(C)(N=NC(C)(C#N)CCC(O)=O)C#N,"InChI=1/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)",C12H16N4O4,,,,,,VFXXTYGQYWRHJP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.307,220-137-1,2639-64-7,Nonyl butyrate,nonyl butyrate,CCCCCCCCCOC(=O)CCC,CCCCCCCCCOC(=O)CCC,"InChI=1/C13H26O2/c1-3-5-6-7-8-9-10-12-15-13(14)11-4-2/h3-12H2,1-2H3",C13H26O2,,,,,,RVNCBAPCNVAWOY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.308,220-138-7,2639-68-1,"1,5,9-trimethyl-1-vinyldeca-4,8-dienyl isobutyrate","1,5,9-trimethyl-1-vinyldeca-4,8-dien-1-yl 2-methylpropanoate",O=C(OC(C)(CCC=C(C)CC\\C=C(/C)C)C=C)C(C)C,O=C(OC(C)(CCC=C(C)CC\C=C(/C)C)C=C)C(C)C,"InChI=1/C19H32O2/c1-8-19(7,21-18(20)16(4)5)14-10-13-17(6)12-9-11-15(2)3/h8,11,13,16H,1,9-10,12,14H2,2-7H3",C19H32O2,,,,,,TXLYSYOKEBFFAC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.310,220-140-8,2/01/2641,2-(4-dipropylaminophenylazo)benzoic acid,2-{[4-(dipropylamino)phenyl]diazenyl}benzoic acid,CCCN(CCC)c2ccc(N=Nc1ccccc1C(O)=O)cc2,CCCN(CCC)c2ccc(N=Nc1ccccc1C(O)=O)cc2,"InChI=1/C19H23N3O2/c1-3-13-22(14-4-2)16-11-9-15(10-12-16)20-21-18-8-6-5-7-17(18)19(23)24/h5-12H,3-4,13-14H2,1-2H3,(H,23,24)",C19H23N3O2,,,,,,LIIDWKDFORMMDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.313,220-143-4,2642-25-3,1-ethyl-4-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide,"1-ethyl-4-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium iodide",[I-].CC[n+]4ccc(C=CC=C2Sc1ccccc1N2CC)c3ccccc34,[I-].CC[n+]4ccc(C=CC=C2Sc1ccccc1N2CC)c3ccccc34,"InChI=1/C23H23N2S.HI/c1-3-24-17-16-18(19-11-5-6-12-20(19)24)10-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2S.I,,,,,,ZWIKBMUTEGLNPC-UHFFFAOYSA-M,,,,,,,,,,,
100.018.317,220-148-1,2642-82-2,"2,2-bis(p-chlorophenyl)ethanol","2,2-bis(4-chlorophenyl)ethanol",OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2",C14H12Cl2O,,,,,,ZVIDYKRNLNAXFT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.320,220-151-8,2644-21-5,"Ethyl N,N-diethylglycinate","ethyl N,N-diethylglycinate",CCOC(=O)CN(CC)CC,CCOC(=O)CN(CC)CC,"InChI=1/C8H17NO2/c1-4-9(5-2)7-8(10)11-6-3/h4-7H2,1-3H3",C8H17NO2,,,,,,ORRQJZMYQQDYDX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.321,220-152-3,2644-45-3,(carboxymethyl)decyldimethylammonium hydroxide,"N-(carboxymethyl)-N,N-dimethyldecan-1-aminium hydroxide",[OH-].CCCCCCCCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCCCC[N+](C)(C)CC(=O)O,"InChI=1/C14H29NO2.H2O/c1-4-5-6-7-8-9-10-11-12-15(2,3)13-14(16)17;/h4-13H2,1-3H3;1H2",C14H29NO2,,,,,,BOPHIJMFHRMHGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.324,220-156-5,2645-07-0,N-4-nitrobenzoylglycine,N-(4-nitrobenzoyl)glycine,OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)",C9H8N2O5,,,,,,XCMUCRMMVDSVEL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.328,220-160-7,9/11/2646,(2-hydroxyethyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,"N-(2-hydroxyethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO,"InChI=1/C25H52N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;/h28H,4-24H2,1-3H3;1H",C25H53N2O2.Cl,,,,,,ZFPJLSHASOGDBD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.441,223-584-0,3967-55-3,"4,5-dichloro-1,3-dioxolan-2-one","4,5-dichloro-1,3-dioxolan-2-one",ClC1OC(=O)OC1Cl,ClC1OC(=O)OC1Cl,InChI=1/C3H2Cl2O3/c4-1-2(5)8-3(6)7-1/h1-2H,C3H2Cl2O3,,,,,,BETICXVUVYXEJX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.447,223-590-3,3970-35-2,2-chloro-3-nitrobenzoic acid,2-chloro-3-nitrobenzoic acid,OC(=O)c1cccc(c1Cl)[N+](=O)[O-],OC(=O)c1cccc(c1Cl)[N+](=O)[O-],"InChI=1/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)",C7H4ClNO4,,,,,,JRQDVRIQJJPHEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.450,223-594-5,3971-28-6,"1,3-bis(hydroxymethyl)cyclohexane","cyclohexane-1,3-diyldimethanol",OCC1CCCC(CO)C1,OCC1CCCC(CO)C1,"InChI=1/C8H16O2/c9-5-7-2-1-3-8(4-7)6-10/h7-10H,1-6H2",C8H16O2,,,,,,LUSFFPXRDZKBMF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.451,223-595-0,3971-33-3,2-ethyloctanedioic acid,2-ethyloctanedioic acid,CCC(CCCCCC(=O)O)C(=O)O,CCC(CCCCCC(=O)O)C(=O)O,"InChI=1/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)",C10H18O4,,,,,,WUDDSDIHJHPJRP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.827,220-709-0,2873-29-2,"1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol triacetate","3,4,6-tri-O-acetyl-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol",CC(=O)OC[C@H]1OC=C[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1OC=C[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3",C12H16O7,,,,,,LLPWGHLVUPBSLP-UTUOFQBUSA-N,,,,,,,,,,,
100.018.828,220-710-6,2873-36-1,"(3S-trans)-hexahydro-3-isobutylpyrrolo[1,2-a]pyrazine-1,4-dione","3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione",CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O,CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O,"InChI=1/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)",C11H18N2O2,,,,,,SZJNCZMRZAUNQT-IUCAKERBSA-N,,,,,,,,,,,
100.018.829,220-711-1,2873-74-7,Glutaryl dichloride,pentanedioyl dichloride,ClC(=O)CCCC(=O)Cl,ClC(=O)CCCC(=O)Cl,InChI=1/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,C5H6Cl2O2,,,,,,YVOFTMXWTWHRBH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.830,220-712-7,2873-90-7,4-(diethylamino)benzonitrile,4-(diethylamino)benzonitrile,CCN(CC)c1ccc(cc1)C#N,CCN(CC)c1ccc(cc1)C#N,"InChI=1/C11H14N2/c1-3-13(4-2)11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3",C11H14N2,,,,,,KMLGFOAKCYHXCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.831,220-713-2,2873-97-4,"N-(1,1-dimethyl-3-oxobutyl)acrylamide","N-(1,1-dimethyl-3-oxobutyl)acrylamide",CC(=O)CC(C)(C)NC(=O)C=C,CC(=O)CC(C)(C)NC(=O)C=C,"InChI=1/C9H15NO2/c1-5-8(12)10-9(3,4)6-7(2)11/h5H,1,6H2,2-4H3,(H,10,12)",C9H15NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13212,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.831,OMNKZBIFPJNNIO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.844,220-727-9,2879-79-0,N-(2-methyl-5-nitrophenyl)acetamide,N-(2-methyl-5-nitrophenyl)acetamide,CC(=O)Nc1cc(ccc1C)[N+](=O)[O-],CC(=O)Nc1cc(ccc1C)[N+](=O)[O-],"InChI=1/C9H10N2O3/c1-6-3-4-8(11(13)14)5-9(6)10-7(2)12/h3-5H,1-2H3,(H,10,12)",C9H10N2O3,,,,,,YMHUULKGTGEHHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.845,220-728-4,2880-40-2,"2,5'-dichloro-2',4'-disulphamoylacetanilide","2-chloro-N-(5-chloro-2,4-disulfamoylphenyl)acetamide",NS(=O)(=O)c1cc(c(NC(=O)CCl)cc1Cl)S(=O)(=O)N,NS(=O)(=O)c1cc(c(NC(=O)CCl)cc1Cl)S(=O)(=O)N,"InChI=1/C8H9Cl2N3O5S2/c9-3-8(14)13-5-1-4(10)6(19(11,15)16)2-7(5)20(12,17)18/h1-2H,3H2,(H,13,14)(H2,11,15,16)(H2,12,17,18)",C8H9Cl2N3O5S2,,,,,,XEEYAFHGPWRLAG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.849,220-733-1,2881-83-6,Ethyl p-anisoylacetate,ethyl 3-(4-methoxyphenyl)-3-oxopropanoate,CCOC(=O)CC(=O)c1ccc(OC)cc1,CCOC(=O)CC(=O)c1ccc(OC)cc1,"InChI=1/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3",C12H14O4,,,,,,KRAHENMBSVAAHD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.853,220-737-3,2882-21-5,2-methoxy-6-methylpyrazine,2-methoxy-6-methylpyrazine,COc1cncc(C)n1,COc1cncc(C)n1,"InChI=1/C6H8N2O/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3",C6H8N2O,,,,,,MYDVJLOKNIAHPH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.856,220-741-5,2883-36-5,N-DL-leucyl-DL-leucine,L-leucyl-L-leucine,CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O,CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O,"InChI=1/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)",C12H24N2O3,,,,,,LCPYQJIKPJDLLB-UWVGGRQHSA-N,,,,,,,,,,,
100.018.859,220-744-1,2885-00-9,Octadecane-1-thiol,octadecane-1-thiol,CCCCCCCCCCCCCCCCCCS,CCCCCCCCCCCCCCCCCCS,"InChI=1/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",C18H38S,,,,,,QJAOYSPHSNGHNC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.862,220-747-8,2886-59-1,"1-methoxycyclohexa-1,4-diene","1-methoxycyclohexa-1,4-diene",COC1=CCC=CC1,COC1=CCC=CC1,"InChI=1/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3",C7H10O,,,,,,RGXIXVNKYUAKHS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.863,220-748-3,2886-65-9,"7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one","7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one",Fc1ccccc1C2=NCC(=O)Nc3ccc(Cl)cc23,Fc1ccccc1C2=NCC(=O)Nc3ccc(Cl)cc23,"InChI=1/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",C15H10ClFN2O,,,,,,UVCOILFBWYKHHB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.455,246-716-9,25182-84-7,3-nitropropanol,3-nitropropan-1-ol,OCCC[N+](=O)[O-],OCCC[N+](=O)[O-],"InChI=1/C3H7NO3/c5-3-1-2-4(6)7/h5H,1-3H2",C3H7NO3,,,,,,YISPKQZWSIMXMX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.462,246-724-2,25188-08-3,7-[[[[6-[(o-anisyl)azo]-5-hydroxy-7-sulpho-2-naphthyl]amino]carbonyl]amino]-4-hydroxy-3-[(2-methyl-4-sulphophenyl)azo]naphthalene-2-sulphonic acid,4-hydroxy-7-[({5-hydroxy-6-[(2-methoxybenzyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,COc6ccccc6CN=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccc(cc1C)S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)ccc4c5O)S(O)(=O)=O,COc6ccccc6CN=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccc(cc1C)S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)ccc4c5O)S(O)(=O)=O,"InChI=1/C36H30N6O13S3/c1-19-13-25(56(46,47)48)9-12-28(19)40-42-33-31(58(52,53)54)17-22-15-24(8-11-27(22)35(33)44)39-36(45)38-23-7-10-26-21(14-23)16-30(57(49,50)51)32(34(26)43)41-37-18-20-5-3-4-6-29(20)55-2/h3-17,43-44H,18H2,1-2H3,(H2,38,39,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",C35H28N6O13S3,,,,,,MQFVMRKNOJVJBD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.912,250-519-3,31225-17-9,"1-(3,4-dichlorophenyl)-3-hydroxyurea","1-(3,4-dichlorophenyl)-3-hydroxyurea",ONC(=O)Nc1ccc(Cl)c(Cl)c1,ONC(=O)Nc1ccc(Cl)c(Cl)c1,"InChI=1/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)",C7H6Cl2N2O2,,,,,,VKYZMAVGJARVPE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.917,250-525-6,31237-02-2,Disodium 4-hydroxy-3-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonate,disodium 4-hydroxy-3-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].COc3ccc(cc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].COc3ccc(cc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C19H18N2O11S3.2Na/c1-31-17-7-6-12(33(23,24)9-8-32-35(28,29)30)10-15(17)20-21-16-11-18(34(25,26)27)13-4-2-3-5-14(13)19(16)22;;/h2-7,10-11,22H,8-9H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C19H18N2O11S3.2Na,,,,,,UKICZMCNHZQNQO-UHFFFAOYSA-L,,,,,,,,,,,
100.045.918,250-526-1,31237-03-3,"Disodium p-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 4-{4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(OC)cc3,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(OC)cc3,"InChI=1/C19H20N4O11S3.2Na/c1-12-18(19(24)23(22-12)13-3-5-14(6-4-13)36(27,28)29)21-20-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,18H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C19H20N4O11S3.2Na,,,,,,UNHUHGRYERTMRH-UHFFFAOYSA-L,,,,,,,,,,,
100.045.920,250-528-2,31242-17-8,Magnesium octadecylbenzenesulphonate,magnesium bis(2-octadecylbenzenesulfonate),[Mg+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C24H42O3S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27;/h2*18-19,21-22H,2-17,20H2,1H3,(H,25,26,27);/q;;+2/p-2",C24H42O3S.1/2Mg,,,,,,UXHWLLPCOGOHCY-UHFFFAOYSA-L,,,,,,,,,,,
100.045.926,250-535-0,31252-42-3,4-benzylpiperidine,4-benzylpiperidine,C(C1CCNCC1)c2ccccc2,C(C1CCNCC1)c2ccccc2,"InChI=1/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2",C12H17N,,,,,,ABGXADJDTPFFSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.941,250-551-8,31293-07-9,"1H-dibenzo[de,h]quinoline-2,7-dione","1H-dibenzo[de,h]quinoline-2,7-dione",O=C1NC2=C3C(=C1)C=CC=C3C(=O)c4ccccc24,O=C1NC2=C3C(=C1)C=CC=C3C(=O)c4ccccc24,"InChI=1/C16H9NO2/c18-13-8-9-4-3-7-12-14(9)15(17-13)10-5-1-2-6-11(10)16(12)19/h1-8H,(H,17,18)",C16H9NO2,,,,,,NHOYROCTVIDOJP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.942,250-552-3,31294-91-4,3-iodohexane,3-iodohexane,CCCC(I)CC,CCCC(I)CC,"InChI=1/C6H13I/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3",C6H13I,,,,,,QQKICFXKOIDMSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.947,250-558-6,31302-84-8,(±)-bromophenylacetic acid,bromo(phenyl)acetic acid,OC(=O)C(Br)c1ccccc1,OC(=O)C(Br)c1ccccc1,"InChI=1/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)",C8H7BrO2,,,,,,WAKFRZBXTKUFIW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.949,250-560-7,31307-59-2,"(phenylmethyl)-1,1'-biphenyl",2-benzylbiphenyl,C(c1ccccc1)c2ccccc2c3ccccc3,C(c1ccccc1)c2ccccc2c3ccccc3,"InChI=1/C19H16/c1-3-9-16(10-4-1)15-18-13-7-8-14-19(18)17-11-5-2-6-12-17/h1-14H,15H2",C19H16,,,,,,ZOYJYNLKJSQUEM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.755,248-146-6,26967-68-0,Dibutylphenol,"2,3-dibutylphenol",CCCCc1cccc(O)c1CCCC,CCCCc1cccc(O)c1CCCC,"InChI=1/C14H22O/c1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2/h7,9,11,15H,3-6,8,10H2,1-2H3",C14H22O,,,,,,NSENZNPLAVRFMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.756,248-147-1,26967-76-0,Tris(isopropylphenyl) phosphate,tris(2-isopropylphenyl) phosphate,CC(C)c1ccccc1OP(=O)(Oc2ccccc2C(C)C)Oc3ccccc3C(C)C,CC(C)c1ccccc1OP(=O)(Oc2ccccc2C(C)C)Oc3ccccc3C(C)C,"InChI=1/C27H33O4P/c1-19(2)22-13-7-10-16-25(22)29-32(28,30-26-17-11-8-14-23(26)20(3)4)31-27-18-12-9-15-24(27)21(5)6/h7-21H,1-6H3",C27H33O4P,,,,,,LIPMRGQQBZJCTM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.456,223-600-6,6/06/3973,"6-[[(benzyloxy)-1,3-dioxo-2-phenylpropyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","6-{[3-(benzyloxy)-3-oxo-2-phenylpropanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)SC2C(NC(=O)C(C(=O)OCc3ccccc3)c4ccccc4)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)C(C(=O)OCc3ccccc3)c4ccccc4)C(=O)N2C1C(=O)O,"InChI=1/C24H24N2O6S/c1-24(2)18(22(29)30)26-20(28)17(21(26)33-24)25-19(27)16(15-11-7-4-8-12-15)23(31)32-13-14-9-5-3-6-10-14/h3-12,16-18,21H,13H2,1-2H3,(H,25,27)(H,29,30)",C24H24N2O6S,,,,,,XISLDFJJHQQSDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.458,223-602-7,3973-62-4,3-phenylpiperidine,3-phenylpiperidine,C1CNCC(C1)c2ccccc2,C1CNCC(C1)c2ccccc2,"InChI=1/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2",C11H15N,,,,,,NZYBILDYPCVNMU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.459,223-603-2,3973-70-4,2-(4-aminopiperazin-1-yl)ethanol,2-(4-aminopiperazin-1-yl)ethanol,NN1CCN(CCO)CC1,NN1CCN(CCO)CC1,"InChI=1/C6H15N3O/c7-9-3-1-8(2-4-9)5-6-10/h10H,1-7H2",C6H15N3O,,,,,,XAOHWSFGKCJOGT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.469,223-614-2,3978-81-2,4-tert-butylpyridine,4-tert-butylpyridine,CC(C)(C)c1ccncc1,CC(C)(C)c1ccncc1,"InChI=1/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3",C9H13N,,,,,,YSHMQTRICHYLGF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.470,223-615-8,3978-86-7,"6,11-dihydro-11-(1-methylpiperidin-4-ylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine dimaleate","11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine dibut-2-enedioate",CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1.OC(=O)\\C=C/C(=O)O.OC(=O)\\C=C/C(=O)O,CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O,"InChI=1/C20H22N2.2C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;2*5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)",C20H22N2.2C4H4O4,,,,,,SGHXFFAHXTZRQM-SPIKMXEPSA-N,,,,,,,,,,,
100.021.483,223-629-4,3985-81-7,Aluminium octadecan-1-olate,aluminum trioctadecan-1-olate,[Al+3].CCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCC[O-],"InChI=1/3C18H37O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h3*2-18H2,1H3;/q3*-1;+3",C18H38O.1/3Al,,,,,,CJJSDLFJDBSUJU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.484,223-631-5,3987-53-9,N-benzylaminodiacetic acid,"2,2'-(benzylimino)diacetic acid",OC(=O)CN(CC(=O)O)Cc1ccccc1,OC(=O)CN(CC(=O)O)Cc1ccccc1,"InChI=1/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)",C11H13NO4,,,,,,SZQUPQVVCLFZLC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.485,223-632-0,2/03/3988,"4,4'-dibromobenzophenone",bis(4-bromophenyl)methanone,Brc1ccc(cc1)C(=O)c2ccc(Br)cc2,Brc1ccc(cc1)C(=O)c2ccc(Br)cc2,InChI=1/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,C13H8Br2O,,,,,,LFABNOYDEODDFX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.487,223-634-1,3989-97-7,N-L-valyl-L-leucine,L-valyl-L-leucine,CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,"InChI=1/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)",C11H22N2O3,,,,,,XCTHZFGSVQBHBW-IUCAKERBSA-N,,,,,,,,,,,
100.021.493,223-640-4,3993-73-5,"1,2,3,6-tetrahydro-5-methyl-2,6-dioxopyrimidine-4-carboxylic acid","5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid",CC1=C(NC(=O)NC1=O)C(=O)O,CC1=C(NC(=O)NC1=O)C(=O)O,"InChI=1/C6H6N2O4/c1-2-3(5(10)11)7-6(12)8-4(2)9/h1H3,(H,10,11)(H2,7,8,9,12)",C6H6N2O4,,,,,,UQBMFARVSOQVQE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.495,223-643-0,3998-50-3,Dipotassium tetrahydrogen [nitrilotris(methylene)]trisphosphonate,dipotassium tetrahydrogen [nitrilotris(methylene)]tris(phosphonate),[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.2K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;/q;2*+1/p-6",C3H12NO9P3.2K,,,,,,BLMZBNVBODQHHX-UHFFFAOYSA-H,,,,,,,,,,,
100.021.496,223-644-6,7/01/3999,"(9Z,12Z)-octadeca-9,12-dien-1-amide","octadeca-9,12-dienamide",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)N,CCCCC\C=C/C\C=C/CCCCCCCC(=O)N,"InChI=1/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",C18H33NO,,,,,,SFIHQZFZMWZOJV-HZJYTTRNSA-N,,,,,,,,,,,
100.021.498,223-646-7,3999-70-0,Potassium butanolate,potassium butan-1-olate,[K+].CCCC[O-],[K+].CCCC[O-],"InChI=1/C4H9O.K/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1",C4H10O.K,,,,,,CUQOHAYJWVTKDE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.377,222-413-7,3463-21-6,"1-ethoxy-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","1-ethoxy-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",CCO[Si]12OCCN(CCO1)CCO2,CCO[Si]12OCCN(CCO1)CCO2,"InChI=1/C8H17NO4Si/c1-2-10-14-11-6-3-9(4-7-12-14)5-8-13-14/h2-8H2,1H3",C8H17NO4Si,,,,,,RAQAYUJGWWHPLN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.335,220-168-0,2650-18-2,"Diammonio(ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium",-,CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+]([NH3+])([NH3+])(CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-],CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+]([NH3+])([NH3+])(CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-],"InChI=1/C37H43N4O9S3/c1-3-40(25-27-9-7-11-33(23-27)51(42,43)44)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)53(48,49)50)30-17-21-32(22-18-30)41(38,39,4-2)26-28-10-8-12-34(24-28)52(45,46)47/h5-24H,3-4,25-26H2,1-2,38-39H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)/q+3/p-3",C37H36N2O9S3.2H3N,,,,,,BHZFDPPNOXKWBF-UHFFFAOYSA-K,,,,,,,,,,,
100.017.301,219-030-2,2320-96-9,"4',5'-dichloro-3',6'-dihydroxyspiro[isobenzofuran-1[3H]-9'-[9H]-xanthene]-3-one","4',5'-dichloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3c(Cl)c(O)ccc3C24OC(=O)c5ccccc45)c1Cl,Oc1ccc2c(Oc3c(Cl)c(O)ccc3C24OC(=O)c5ccccc45)c1Cl,"InChI=1/C20H10Cl2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H",C20H10Cl2O5,,,,,,WLHLYHWMNUCWEV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.306,219-036-5,2324-41-6,Acetone 2-methylthiosemicarbazone,acetone N'-methylthiosemicarbazone,CN(N=C(C)C)C(=S)N,CN(N=C(C)C)C(=S)N,"InChI=1/C5H11N3S/c1-4(2)7-8(3)5(6)9/h1-3H3,(H2,6,9)",C5H11N3S,,,,,,NSOWDUZCPCOTIP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.308,219-038-6,2325-18-0,N-DL-alanyl-DL-norvaline,L-alanyl-L-norvaline,O=C(N[C@@H](CCC)C(O)=O)[C@H](C)N,O=C(N[C@@H](CCC)C(O)=O)[C@H](C)N,"InChI=1/C8H16N2O3/c1-3-4-6(8(12)13)10-7(11)5(2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",C8H16N2O3,,,,,,AIPOPRCRQHBMLB-WDSKDSINSA-N,,,,,,,,,,,
100.017.309,219-039-1,2325-27-1,N-(triphenylphosphoranylidene)aniline,triphenyl(phenylimino)phosphorane,c1ccc(cc1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4,c1ccc(cc1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20NP/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C24H20NP,,,,,,PTLOPIHJOPWUNN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.316,219-047-5,7/12/2338,5-nitrobenzotriazole,6-nitro-1H-benzotriazole,[O-][N+](=O)c1cc2nnnc2cc1,[O-][N+](=O)c1cc2nnnc2cc1,"InChI=1/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)",C6H4N4O2,,,,,,AOCDQWRMYHJTMY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.318,219-049-6,2338-19-4,Potassium 1H-indole-3-acetate,potassium 1H-indol-3-ylacetate,[K+].[O-]C(=O)Cc1c[nH]c2ccccc12,[K+].[O-]C(=O)Cc1c[nH]c2ccccc12,"InChI=1/C10H9NO2.K/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);/q;+1/p-1",C10H9NO2.K,,,,,,MLWMEUAQPRACHM-UHFFFAOYSA-M,,,,,,,,,,,
100.017.319,219-050-1,2338-20-7,"3,4,5-triiodobenzoic acid","3,4,5-triiodobenzoic acid",OC(=O)c1cc(I)c(I)c(I)c1,OC(=O)c1cc(I)c(I)c(I)c1,"InChI=1/C7H3I3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)",C7H3I3O2,,,,,,UCBKDZNMPMBJAB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.323,219-054-3,2340-57-0,9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)thioxanthen-9-ol,9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-9H-thioxanthen-9-ol,CN(C)CCCC1(O)c2ccccc2Sc3ccc(cc13)C(F)(F)F,CN(C)CCCC1(O)c2ccccc2Sc3ccc(cc13)C(F)(F)F,"InChI=1/C19H20F3NOS/c1-23(2)11-5-10-18(24)14-6-3-4-7-16(14)25-17-9-8-13(12-15(17)18)19(20,21)22/h3-4,6-9,12,24H,5,10-11H2,1-2H3",C19H20F3NOS,,,,,,QWIVUCLTMDQHOY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.324,219-055-9,2344-70-9,4-phenylbutan-2-ol,4-phenylbutan-2-ol,CC(O)CCc1ccccc1,CC(O)CCc1ccccc1,"InChI=1/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3",C10H14O,,,,,,GDWRKZLROIFUML-UHFFFAOYSA-N,,,,,,,,,,,
100.017.330,219-062-7,2345-26-8,Geranyl isobutyrate,"3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate",CC(C)C(=O)OC\\C=C(/C)\\CCC=C(C)C,CC(C)C(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3",C14H24O2,,,,,,OGJYXQFXLSCKTP-UKTHLTGXSA-N,,,,,,,,,,,
100.017.332,219-064-8,2345-28-0,Pentadecan-2-one,pentadecan-2-one,CCCCCCCCCCCCCC(=O)C,CCCCCCCCCCCCCC(=O)C,"InChI=1/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3",C15H30O,,,,,,CJPNOLIZCWDHJK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.335,219-067-4,2345-38-2,(trimethylsilyl)acetic acid,(trimethylsilyl)acetic acid,C[Si](C)(C)CC(=O)O,C[Si](C)(C)CC(=O)O,"InChI=1/C5H12O2Si/c1-8(2,3)4-5(6)7/h4H2,1-3H3,(H,6,7)",C5H12O2Si,,,,,,JDMMZVAKMAONFU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.338,219-071-6,2346-00-1,2-methyl-2-thiazoline,"2-methyl-4,5-dihydro-1,3-thiazole",CC1=NCCS1,CC1=NCCS1,"InChI=1/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3",C4H7NS,,,,,,JUIQOABNSLTJSW-UHFFFAOYSA-N,,,,,,,,,,,
100.022.712,224-982-7,4591-56-4,"Diethyl pyridine-3,5-dicarboxylate","diethyl pyridine-3,5-dicarboxylate",CCOC(=O)c1cncc(c1)C(=O)OCC,CCOC(=O)c1cncc(c1)C(=O)OCC,"InChI=1/C11H13NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3",C11H13NO4,,,,,,PGGQCHVPWSXPSI-UHFFFAOYSA-N,,,,,,,,,,,
100.022.716,224-986-9,4593-81-1,Dibutyldichlorogermane,dibutyl(dichloro)germane,CCCC[Ge](Cl)(Cl)CCCC,CCCC[Ge](Cl)(Cl)CCCC,"InChI=1/C8H18Cl2Ge/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3",C8H18Cl2Ge,,,,,,VKMPTHGEGBKPBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.868,220-754-6,2888-15-5,"1,1'-methylenebis[2,4,5-trichlorobenzene]","1,1'-methylenebis(2,4,5-trichlorobenzene)",Clc1cc(Cl)c(Cc2cc(Cl)c(Cl)cc2Cl)cc1Cl,Clc1cc(Cl)c(Cc2cc(Cl)c(Cl)cc2Cl)cc1Cl,"InChI=1/C13H6Cl6/c14-8-4-12(18)10(16)2-6(8)1-7-3-11(17)13(19)5-9(7)15/h2-5H,1H2",C13H6Cl6,,,,,,USIOLZNYOHTTHA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.869,220-755-1,2888-63-3,(E)-2-chloro-N-[4-chloro-2-[(hydroxyimino)phenylmethyl]phenyl]acetamide,2-chloro-N-{4-chloro-2-[(hydroxyimino)(phenyl)methyl]phenyl}acetamide,O\\N=C(/c1ccccc1)\\c2cc(Cl)ccc2NC(=O)CCl,O\N=C(/c1ccccc1)\c2cc(Cl)ccc2NC(=O)CCl,"InChI=1/C15H12Cl2N2O2/c16-9-14(20)18-13-7-6-11(17)8-12(13)15(19-21)10-4-2-1-3-5-10/h1-8,21H,9H2,(H,18,20)",C15H12Cl2N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18662,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.869,JGFXVLJITZQQDW-XDJHFCHBSA-N,,,,,,,,,,,
100.018.873,220-759-3,2891-17-0,"4-chlorobenzene-1,3-disulphonyl dichloride","4-chlorobenzene-1,3-disulfonyl dichloride",Clc1ccc(cc1S(=O)(=O)Cl)S(=O)(=O)Cl,Clc1ccc(cc1S(=O)(=O)Cl)S(=O)(=O)Cl,"InChI=1/C6H3Cl3O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H",C6H3Cl3O4S2,,,,,,ZADVSJRCRBFCTK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.874,220-760-9,2892-18-4,5-methyl-1-phenylhex-1-en-3-one,5-methyl-1-phenylhex-1-en-3-one,CC(C)CC(=O)C=Cc1ccccc1,CC(C)CC(=O)C=Cc1ccccc1,"InChI=1/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3",C13H16O,,,,,,LLVCDRTZBYXKII-UHFFFAOYSA-N,,,,,,,,,,,
100.018.421,220-263-7,2693-46-1,Fluoranthen-3-ylamine,fluoranthen-3-amine,Nc1ccc2c3ccccc3c4cccc1c24,Nc1ccc2c3ccccc3c4cccc1c24,"InChI=1/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2",C16H11N,,,,,,VHGJAFIHUSTRGB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.422,220-264-2,2694-54-4,"Triallyl benzene-1,2,4-tricarboxylate","triallyl benzene-1,2,4-tricarboxylate",C=CCOC(=O)c1ccc(C(=O)OCC=C)c(c1)C(=O)OCC=C,C=CCOC(=O)c1ccc(C(=O)OCC=C)c(c1)C(=O)OCC=C,"InChI=1/C18H18O6/c1-4-9-22-16(19)13-7-8-14(17(20)23-10-5-2)15(12-13)18(21)24-11-6-3/h4-8,12H,1-3,9-11H2",C18H18O6,,,,,,GRPURDFRFHUDSP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.423,220-265-8,2694-98-6,"17-a-methylandrosta-1,5-diene-3-ß,17-ß-diol","17-methylandrosta-1,5-diene-3,17-diol",C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,6,9,14-17,21-22H,5,7-8,10-12H2,1-3H3",C20H30O2,,,,,,MQKCILYFKAJWDB-DTMQFJJTSA-N,,,,,,,,,,,
100.018.440,220-284-1,2700-30-3,"N,N-bis(1-methylethyl)formamide","N,N-diisopropylformamide",CC(C)N(C=O)C(C)C,CC(C)N(C=O)C(C)C,"InChI=1/C7H15NO/c1-6(2)8(5-9)7(3)4/h5-7H,1-4H3",C7H15NO,,,,,,UNBDDZDKBWPHAX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.442,220-286-2,2701-61-3,(maleoyldioxy)bis[phenylmercury],[mu-but-2-enedioato(2-)-kappaO~1~:kappaO~4~](diphenyl)dimercury,O=C(O[Hg]c1ccccc1)\\C=C/C(=O)O[Hg]c2ccccc2,O=C(O[Hg]c1ccccc1)\C=C/C(=O)O[Hg]c2ccccc2,"InChI=1/2C6H5.C4H4O4.2Hg/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h2*1-5H;1-2H,(H,5,6)(H,7,8);;/q;;;2*+1/p-2/rC16H12Hg2O4/c19-15(21-17-13-7-3-1-4-8-13)11-12-16(20)22-18-14-9-5-2-6-10-14/h1-12H",C16H12Hg2O4,,,,,,QECSDABEOGXZNH-RFUWXRFNSA-L,,,,,,,,,,,
100.018.445,220-289-9,2702-58-1,"Methyl 3,5-dinitrobenzoate","methyl 3,5-dinitrobenzoate",COC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],COC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3",C8H6N2O6,,,,,,POGCCFLNFPIIGW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.448,220-293-0,2706-28-7,Disodium 2-amino-5-[(4-sulphonatophenyl)azo]benzenesulphonate,disodium 2-amino-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate,[Na+].[Na+].O=S([O-])(=O)c1cc(ccc1N)N=Nc2ccc(cc2)S([O-])(=O)=O,[Na+].[Na+].O=S([O-])(=O)c1cc(ccc1N)N=Nc2ccc(cc2)S([O-])(=O)=O,"InChI=1/C12H11N3O6S2.2Na/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18;;/h1-7H,13H2,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2",C12H11N3O6S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18897,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.448,FPVGTPBMTFTMRT-UHFFFAOYSA-L,,,,,,,,,,,
100.018.454,220-299-3,2706-89-0,Sodium perfluorovalerate,sodium nonafluoropentanoate,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O[Na],FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O[Na],"InChI=1/C5HF9O2.Na/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14;/h(H,15,16);/q;+1/p-1",C5HF9O2.Na,,,,,,UOOGXJXDGDKHDT-UHFFFAOYSA-M,,,,,,,,,,,
100.018.466,220-312-2,2717-16-0,"Stearic acid, compound with 2,2'-iminodiethanol (1:1)","octadecanoic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO,CCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO,"InChI=1/C18H36O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h2-17H2,1H3,(H,19,20);5-7H,1-4H2",C18H36O2.C4H11NO2,,,,,,RZEWIYUUNKCGKA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.415,219-155-2,2374-61-0,"N,N-diethylmethanesulphonamide","N,N-diethylmethanesulfonamide",CCN(CC)S(=O)(=O)C,CCN(CC)S(=O)(=O)C,"InChI=1/C5H13NO2S/c1-4-6(5-2)9(3,7)8/h4-5H2,1-3H3",C5H13NO2S,,,,,,KSEMETYAQIUBQB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.419,219-159-4,2378-86-1,(4-methylbenzyl)triphenylphosphonium bromide,(4-methylbenzyl)(triphenyl)phosphonium bromide,[Br-].Cc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1,[Br-].Cc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1,"InChI=1/C26H24P.BrH/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1",C26H24P.Br,,,,,,CEEKCHGNKYVTTM-UHFFFAOYSA-M,,,,,,,,,,,
100.043.770,248-162-3,27004-40-6,Copper tartrate,dicopper(1+) tartarate,[Cu].O=C(O)C(O)C(O)C(O)=O,[Cu].O=C(O)C(O)C(O)C(O)=O,"InChI=1/C4H6O6.Cu/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1",C4H6O6.xCu,,,,,,XIPWCAOMSIUHSL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.784,248-178-0,27032-78-6,"Dihydro-1,3,5-triazine-2,4(1H,3H)-dione","1,3,5-triazinane-2,4-dione",O=C1NCNC(=O)N1,O=C1NCNC(=O)N1,"InChI=1/C3H5N3O2/c7-2-4-1-5-3(8)6-2/h1H2,(H3,4,5,6,7,8)",C3H5N3O2,,,,,,YTFXKURWTLWPKK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.790,248-184-3,27043-31-8,Dodecyltoluene-a-thiol,(2-dodecylphenyl)methanethiol,CCCCCCCCCCCCc1ccccc1CS,CCCCCCCCCCCCc1ccccc1CS,"InChI=1/C19H32S/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)17-20/h12-13,15-16,20H,2-11,14,17H2,1H3",C19H32S,,,,,,BHRMPAZMSYLRQO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.513,244-581-0,21791-94-6,Sodium 2-oxobornane-10-sulphonate,"sodium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",[Na+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2,[Na+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2,"InChI=1/C10H16O4S.Na/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1",C10H16O4S.Na,,,,,,AWMAOFAHBPCBHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.040.521,244-589-4,21811-64-3,"p,p'-[p-phenylenebis(azo)]bisphenol","4,4'-(1,4-phenylenedidiazene-2,1-diyl)diphenol",Oc1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccc(O)cc3,Oc1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccc(O)cc3,"InChI=1/C18H14N4O2/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20-22-16-7-11-18(24)12-8-16/h1-12,23-24H",C18H14N4O2,,,,,,AOCDFLRLNPGEIC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.523,244-592-0,21812-61-3,"2,3-diphenylindolizine","2,3-diphenylindolizine",c1ccc(cc1)c2cc3ccccn3c2c4ccccc4,c1ccc(cc1)c2cc3ccccn3c2c4ccccc4,InChI=1/C20H15N/c1-3-9-16(10-4-1)19-15-18-13-7-8-14-21(18)20(19)17-11-5-2-6-12-17/h1-15H,C20H15N,,,,,,YYXUAUNEFIARAF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.524,244-593-6,21820-34-8,"(2a,6a,11R*)-(±)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol","6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C,CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C,"InChI=1/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3",C19H27NO,,,,,,VOKSWYLNZZRQPF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.527,244-596-2,21825-16-1,"Diethyl 2,2'-[methylenebis(4,1-phenyleneimino)]bis[2-oxoacetate]","diethyl 2,2'-[methylenebis(4,1-phenyleneimino)]bis(oxoacetate)",CCOC(=O)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(=O)OCC)cc2)cc1,CCOC(=O)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(=O)OCC)cc2)cc1,"InChI=1/C21H22N2O6/c1-3-28-20(26)18(24)22-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)23-19(25)21(27)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)",C21H22N2O6,,,,,,JHSMNLKVPVZMKN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.532,244-601-8,21831-01-6,7-bromo-5-methyl-8-quinolyl 2-furoate,7-bromo-5-methylquinolin-8-yl 2-furoate,Cc1cc(Br)c(OC(=O)c2occc2)c3ncccc13,Cc1cc(Br)c(OC(=O)c2occc2)c3ncccc13,"InChI=1/C15H10BrNO3/c1-9-8-11(16)14(13-10(9)4-2-6-17-13)20-15(18)12-5-3-7-19-12/h2-8H,1H3",C15H10BrNO3,,,,,,RYGDMVPOAPOXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.544,244-614-9,21850-39-5,"Di-tert-butyl 2,2,4-trimethyldiperoxyadipate","di-tert-butyl 2,2,4-trimethylhexanediperoxoate",CC(CC(=O)OOC(C)(C)C)CC(C)(C)C(=O)OOC(C)(C)C,CC(CC(=O)OOC(C)(C)C)CC(C)(C)C(=O)OOC(C)(C)C,"InChI=1/C17H32O6/c1-12(10-13(18)20-22-15(2,3)4)11-17(8,9)14(19)21-23-16(5,6)7/h12H,10-11H2,1-9H3",C17H32O6,,,,,,IKOFWYNODUERAF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.547,244-618-0,21850-52-2,4-[ethyl(2-hydroxyethyl)amino]-o-tolualdehyde,4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzaldehyde,CCN(CCO)c1ccc(C=O)c(C)c1,CCN(CCO)c1ccc(C=O)c(C)c1,"InChI=1/C12H17NO2/c1-3-13(6-7-14)12-5-4-11(9-15)10(2)8-12/h4-5,8-9,14H,3,6-7H2,1-2H3",C12H17NO2,,,,,,QXOVGKFQCQCWIK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.548,244-619-6,21850-61-3,2-(4-hydroxyphenyl)propiononitrile,2-(4-hydroxyphenyl)propanenitrile,CC(C#N)c1ccc(O)cc1,CC(C#N)c1ccc(O)cc1,"InChI=1/C9H9NO/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,7,11H,1H3",C9H9NO,,,,,,BTNSSVRIZUUYGM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.464,246-726-3,25188-34-5,3-[(4-acetamidophenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonic acid,3-[(4-acetamidophenyl)diazenyl]-4-hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfo-2-naphthyl]carbamoyl}amino)naphthalene-2-sulfonic acid,OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S(O)(=O)=O,OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S(O)(=O)=O,"InChI=1/C35H27N7O10S2/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52)",C35H27N7O10S2,,,,,,ICIJDHUPWYQXGB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.378,222-414-2,3463-92-1,Carpaine,"13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione",C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C,C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C,"InChI=1/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3",C28H50N2O4,,,,,,AMSCMASJCYVAIF-QCVMBYIASA-N,,,,,,,,,,,
100.020.379,222-415-8,3464-50-4,Cholest-5-ene-3-ß-yl chloroacetate,cholest-5-en-3-yl chloroacetate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl,"InChI=1/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3",C29H47ClO2,,,,,,XUXXPLDKUZSGKH-OHPSOFBHSA-N,,,,,,,,,,,
100.020.381,222-417-9,3465-75-6,Dibutylbis(decanoyloxy)stannane,dibutyl[bis(decanoyloxy)]stannane,CCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCC,CCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCC,"InChI=1/2C10H20O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10(11)12;2*1-3-4-2;/h2*2-9H2,1H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4Sn/c1-5-9-13-15-17-19-21-23-27(29)31-33(25-11-7-3,26-12-8-4)32-28(30)24-22-20-18-16-14-10-6-2/h5-26H2,1-4H3",C28H56O4Sn,,,,,,MMEFASXEQMDPAW-UHFFFAOYSA-L,,,,,,,,,,,
100.020.388,222-425-2,7/01/3468,3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid,3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid,CC1=C(Oc2c(cccc2C1=O)C(=O)O)c3ccccc3,CC1=C(Oc2c(cccc2C1=O)C(=O)O)c3ccccc3,"InChI=1/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)",C17H12O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16815,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.388,KMMBBZOSQNLLMN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.393,222-431-5,3469-00-9,Methyl diphenylacetate,methyl diphenylacetate,COC(=O)C(c1ccccc1)c2ccccc2,COC(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C15H14O2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3",C15H14O2,,,,,,AORIUCNKPVHMTN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.395,222-433-6,3469-26-9,"2,7-dimethoxynaphthalene","2,7-dimethoxynaphthalene",COc1ccc2ccc(OC)cc2c1,COc1ccc2ccc(OC)cc2c1,"InChI=1/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3",C12H12O2,,,,,,PPKHAIRFQKFMLE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.401,222-439-9,3471-32-7,(4-methoxyphenyl)hydrazine,(4-methoxyphenyl)hydrazine,COc1ccc(NN)cc1,COc1ccc(NN)cc1,"InChI=1/C7H10N2O/c1-10-7-4-2-6(9-8)3-5-7/h2-5,9H,8H2,1H3",C7H10N2O,,,,,,PVRSIFAEUCUJPK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.403,222-442-5,3473-63-0,Formamidine monoacetate,imidoformamide acetate,CC(=O)O.NC=N,CC(=O)O.NC=N,"InChI=1/C2H4O2.CH4N2/c1-2(3)4;2-1-3/h1H3,(H,3,4);1H,(H3,2,3)",C2H4O2.CH4N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12119,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.403,XPOLVIIHTDKJRY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.411,222-450-9,3476-90-2,"Disodium 5-[[4'-[[1-hydroxy-7-(phenylamino)-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate",disodium 5-({4'-[(7-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c6ccc(N=Nc5c(cc4ccc(Nc3ccccc3)cc4c5O)S([O-])(=O)=O)cc6,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c6ccc(N=Nc5c(cc4ccc(Nc3ccccc3)cc4c5O)S([O-])(=O)=O)cc6,"InChI=1/C35H25N5O7S.2Na/c41-31-17-16-28(20-30(31)35(43)44)39-37-25-11-6-21(7-12-25)22-8-13-26(14-9-22)38-40-33-32(48(45,46)47)18-23-10-15-27(19-29(23)34(33)42)36-24-4-2-1-3-5-24;;/h1-20,36,41-42H,(H,43,44)(H,45,46,47);;/q;2*+1/p-2",C35H25N5O7S.2Na,,,,,,KXSNOAIRJITAFI-UHFFFAOYSA-L,,,,,,,,,,,
100.020.415,222-455-6,3478-94-2,"3-(2-methylpiperidino)propyl 3,4-dichlorobenzoate","3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate",CC1CCCCN1CCCOC(=O)c2ccc(Cl)c(Cl)c2,CC1CCCCN1CCCOC(=O)c2ccc(Cl)c(Cl)c2,"InChI=1/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3",C16H21Cl2NO2,,,,,,BZGLBXYQOMFXAU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.421,222-461-9,3481-20-7,"2,3,5,6-tetrachloroaniline","2,3,5,6-tetrachloroaniline",Nc1c(Cl)c(Cl)cc(Cl)c1Cl,Nc1c(Cl)c(Cl)cc(Cl)c1Cl,"InChI=1/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2",C6H3Cl4N,,,,,,YTDHEFNWWHSXSU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.470,220-316-4,2718-90-3,"Disodium 4,4'-diazidostilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-azidobenzenesulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1\\C=C\\c2ccc(cc2S(=O)(=O)[O-])N=[N+]=[N-])N=[N+]=[N-],[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)[O-])N=[N+]=[N-])N=[N+]=[N-],"InChI=1/C14H10N6O6S2.2Na/c15-19-17-11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(18-20-16)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C14H10N6O6S2.2Na,,,,,,HYYYTIDWAIQGHI-SEPHDYHBSA-L,,,,,,,,,,,
100.018.473,220-320-6,2719-21-3,N-(p-acetylphenyl)acetamide,N-(4-acetylphenyl)acetamide,CC(=O)Nc1ccc(cc1)C(=O)C,CC(=O)Nc1ccc(cc1)C(=O)C,"InChI=1/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)",C10H11NO2,,,,,,WECHHDJTILFYQT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.475,220-322-7,2719-27-9,Cyclohexanecarbonyl chloride,cyclohexanecarbonyl chloride,ClC(=O)C1CCCCC1,ClC(=O)C1CCCCC1,"InChI=1/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2",C7H11ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16373,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.475,RVOJTCZRIKWHDX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.476,220-323-2,2719-32-6,4-isothiocyanatobenzonitrile,4-isothiocyanatobenzonitrile,S=C=Nc1ccc(cc1)C#N,S=C=Nc1ccc(cc1)C#N,InChI=1/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,C8H4N2S,,,,,,DZFKAXLNKZXNHD-UHFFFAOYSA-N,,,,,,,,,,,
100.022.719,224-990-0,4594-77-8,2-oxocyclopentanepropiononitrile,3-(2-oxocyclopentyl)propanenitrile,O=C1CCCC1CCC#N,O=C1CCCC1CCC#N,"InChI=1/C8H11NO/c9-6-2-4-7-3-1-5-8(7)10/h7H,1-5H2",C8H11NO,,,,,,UVVOIPOAZZQJDF-UHFFFAOYSA-N,,,,,,,,,,,
100.022.721,224-992-1,4595-59-9,5-bromopyrimidine,5-bromopyrimidine,Brc1cncnc1,Brc1cncnc1,InChI=1/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H,C4H3BrN2,,,,,,GYCPLYCTMDTEPU-UHFFFAOYSA-N,,,,,,,,,,,
100.022.725,224-996-3,4596-98-9,"1,3-bis(2,4-dinitrophenyl)-1,3-diethylurea","1,3-bis(2,4-dinitrophenyl)-1,3-diethylurea",CCN(C(=O)N(CC)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],CCN(C(=O)N(CC)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C17H16N6O9/c1-3-18(13-7-5-11(20(25)26)9-15(13)22(29)30)17(24)19(4-2)14-8-6-12(21(27)28)10-16(14)23(31)32/h5-10H,3-4H2,1-2H3",C17H16N6O9,,,,,,GZRUZYZDXWDVPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.022.731,225-004-1,4602-84-0,Farnesol,"3,7,11-trimethyldodeca-2,6,10-trien-1-ol",C/C(C)=C\\CCC(C)=CCCC(C)=CCO,C/C(C)=C\CCC(C)=CCCC(C)=CCO,"InChI=1/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3",C15H26O,,,,,,CRDAMVZIKSXKFV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.735,225-008-3,4605-47-4,"2-(2,2,3-trimethylcyclopent-1-yl)ethyl acetate","2-(2,2,3-trimethylcyclopentyl)ethyl acetate",CC1CCC(CCOC(=O)C)C1(C)C,CC1CCC(CCOC(=O)C)C1(C)C,"InChI=1/C12H22O2/c1-9-5-6-11(12(9,3)4)7-8-14-10(2)13/h9,11H,5-8H2,1-4H3",C12H22O2,,,,,,XGPBVBUAIVOKAC-UHFFFAOYSA-N,,,,,,,,,,,
100.022.736,225-009-9,4605-91-8,"1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-10-methyl-1,4:5,8-dimethanotriphenylene","1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-10-methyl-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene",Cc1ccc2C3C(C4C(c2c1)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,Cc1ccc2C3C(C4C(c2c1)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,"InChI=1/C21H10Cl12/c1-5-2-3-6-7(4-5)9-11(19(29)15(25)13(23)17(9,27)21(19,32)33)10-8(6)16(26)12(22)14(24)18(10,28)20(16,30)31/h2-4,8-11H,1H3",C21H10Cl12,,,,,,IBGAOSYQYASNKV-UHFFFAOYSA-N,,,,,,,,,,,
100.022.740,225-014-6,4607-38-9,(±)-2-phenyllactic acid,2-hydroxy-2-phenylpropanoic acid,CC(O)(C(=O)O)c1ccccc1,CC(O)(C(=O)O)c1ccccc1,"InChI=1/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)",C9H10O3,,,,,,NWCHELUCVWSRRS-UHFFFAOYSA-N,,,,,,,,,,,
100.022.743,225-017-2,1/11/4610,(2R-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran,4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran,C[C@H]1CCO[C@H](C1)C=C(C)C,C[C@H]1CCO[C@H](C1)C=C(C)C,"InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3",C10H18O,,,,,,CZCBTSFUTPZVKJ-UWVGGRQHSA-N,,,,,,,,,,,
100.022.746,225-020-9,4615-13-8,Sodium hexadec-1-ene-1-sulphonate,sodium hexadec-1-ene-1-sulphonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C=CCCCCCCCC.[O-]S(=O)(=O)C=CCCCCCCCC.[O-]S(=O)(=O)C=CCCCCCCCC.[O-]S(=O)(=O)C=CCCCCCCCC.O=S(=O)([O-])C=CCCCCCCCC.[O-]S(=O)(=O)C=CCCCCCCCC,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C=CCCCCCCCC.[O-]S(=O)(=O)C=CCCCCCCCC.[O-]S(=O)(=O)C=CCCCCCCCC.[O-]S(=O)(=O)C=CCCCCCCCC.O=S(=O)([O-])C=CCCCCCCCC.[O-]S(=O)(=O)C=CCCCCCCCC,"InChI=1/6C10H20O3S.6Na/c6*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;;;/h6*9-10H,2-8H2,1H3,(H,11,12,13);;;;;;/q;;;;;;6*+1/p-6",C16H32O3S.Na,,,,,,YXMDDDBVOVKOPP-UHFFFAOYSA-H,,,,,,,,,,,
100.022.749,225-024-0,4616-63-1,N-(prop-2-ynyloxy)phthalimide,"2-(prop-2-yn-1-yloxy)-1H-isoindole-1,3(2H)-dione",O=C1N(OCC#C)C(=O)c2ccccc12,O=C1N(OCC#C)C(=O)c2ccccc12,"InChI=1/C11H7NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2",C11H7NO3,,,,,,HBGZBVPXPDNXOV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.877,218-564-3,2183-17-7,Disodium naphthyl phosphate,disodium 1-naphthyl phosphate,[Na+].[Na+].[O-]P(=O)([O-])Oc1cccc2ccccc12,[Na+].[Na+].[O-]P(=O)([O-])Oc1cccc2ccccc12,"InChI=1/C10H9O4P.2Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-2",C10H9O4P.2Na,,,,,,QYURIFWAOPAPAJ-UHFFFAOYSA-L,,,,,,,,,,,
100.016.879,218-566-4,4/11/2184,"Tetrasodium 7,7'-[[6-(morpholin-4-yl)-1,3,5-triazine-2,4-diyl]diimino]bis[4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate]","tetrasodium 7,7'-[(6-morpholin-4-yl-1,3,5-triazine-2,4-diyl)diimino]bis{4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate}",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(OC)ccc8N=Nc2c(cc1cc(ccc1c2O)Nc6nc(nc(Nc4cc5cc(c(N=Nc3ccc(OC)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O)n6)N7CCOCC7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(OC)ccc8N=Nc2c(cc1cc(ccc1c2O)Nc6nc(nc(Nc4cc5cc(c(N=Nc3ccc(OC)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O)n6)N7CCOCC7)S([O-])(=O)=O,"InChI=1/C41H36N10O17S4.4Na/c1-66-25-5-9-29(31(19-25)69(54,55)56)47-49-35-33(71(60,61)62)17-21-15-23(3-7-27(21)37(35)52)42-39-44-40(46-41(45-39)51-11-13-68-14-12-51)43-24-4-8-28-22(16-24)18-34(72(63,64)65)36(38(28)53)50-48-30-10-6-26(67-2)20-32(30)70(57,58)59;;;;/h3-10,15-20,52-53H,11-14H2,1-2H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H2,42,43,44,45,46);;;;/q;4*+1/p-4",C41H36N10O17S4.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17974,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.879,ZPEKYFQIEQELMD-UHFFFAOYSA-J,,,,,,,,,,,
100.017.420,219-161-5,2378-95-2,Diethyl N-[4-(methylamino)benzoyl]-L-glutamate,diethyl N-[4-(methylamino)benzoyl]-L-glutamate,CCOC(=O)CC[C@H](NC(=O)c1ccc(NC)cc1)C(=O)OCC,CCOC(=O)CC[C@H](NC(=O)c1ccc(NC)cc1)C(=O)OCC,"InChI=1/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)",C17H24N2O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16439,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.420,WBYNXAAEBPJETG-AWEZNQCLSA-N,,,,,,,,,,,
100.017.422,219-163-6,2379-74-0,6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one,"6,6'-dichloro-4,4'-dimethyl-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",Cc3cc(Cl)cc4SC(=C2Sc1cc(Cl)cc(C)c1C2=O)C(=O)c34,Cc3cc(Cl)cc4SC(=C2Sc1cc(Cl)cc(C)c1C2=O)C(=O)c34,"InChI=1/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3",C18H10Cl2O2S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16062,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.422,NDDLLTAIKYHPOD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.429,219-170-4,2379-90-0,1-amino-4-hydroxy-2-methoxyanthraquinone,"1-amino-4-hydroxy-2-methoxy-9,10-anthraquinone",COc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,COc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C15H11NO4/c1-20-10-6-9(17)11-12(13(10)16)15(19)8-5-3-2-4-7(8)14(11)18/h2-6,17H,16H2,1H3",C15H11NO4,,,,,,WSPPHHAIMCTKNN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.440,219-183-5,2382-43-6,(2-hydroxypropyl)trimethylammonium chloride,"2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CC(O)C[N+](C)(C)C,[Cl-].CC(O)C[N+](C)(C)C,"InChI=1/C6H16NO.ClH/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1",C6H16NO.Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18717,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.440,RUUHDEGJEGHQKL-UHFFFAOYSA-M,,,,,,,,,,,
100.017.442,219-185-6,2382-64-1,Cytidylyl-(3'<U+2192>5')-uridine,-,NC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)OCC3OC(C(O)C3O)N4C=CC(=O)NC4=O)C2O,NC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)OCC3OC(C(O)C3O)N4C=CC(=O)NC4=O)C2O,"InChI=1/C18H24N5O13P/c19-9-1-3-22(17(29)20-9)16-13(28)14(7(5-24)34-16)36-37(31,32)33-6-8-11(26)12(27)15(35-8)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,32)(H2,19,20,29)(H,21,25,30)",C18H24N5O13P,,,,,,VSIFECIDUDPNRC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.446,219-189-8,2382-79-8,N-acetyl-L-tryptophanamide,N-acetyl-L-tryptophanamide,CC(=O)NC(=O)[C@@H](N)Cc2cnc1ccccc12,CC(=O)NC(=O)[C@@H](N)Cc2cnc1ccccc12,"InChI=1/C13H15N3O2/c1-8(17)16-13(18)11(14)6-9-7-15-12-5-3-2-4-10(9)12/h2-5,7,11,15H,6,14H2,1H3,(H,16,17,18)",C13H15N3O2,,,,,,KVVNHTMDRVYYII-NSHDSACASA-N,,,,,,,,,,,
100.017.451,219-195-0,2385-81-1,Furethidine,ethyl 4-phenyl-1-[2-(tetrahydrofuran-2-ylmethoxy)ethyl]piperidine-4-carboxylate,CCOC(=O)C1(CCN(CCOCC2CCCO2)CC1)c3ccccc3,CCOC(=O)C1(CCN(CCOCC2CCCO2)CC1)c3ccccc3,"InChI=1/C21H31NO4/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19/h3-5,7-8,19H,2,6,9-17H2,1H3",C21H31NO4,,,,,,NNCOZXNZFLUYGG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.452,219-196-6,2385-85-5,"Dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane","1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene",ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,"InChI=1/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18",C10Cl12,,,,,,GVYLCNUFSHDAAW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.454,219-198-7,2386-47-2,Butane-1-sulphonic acid,butane-1-sulfonic acid,CCCCS(=O)(=O)O,CCCCS(=O)(=O)O,"InChI=1/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)",C4H10O3S,,,,,,QDHFHIQKOVNCNC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.455,219-199-2,2386-52-9,Silver methanesulphonate,silver(1+) methanesulfonate,[Ag+].CS(=O)(=O)[O-],[Ag+].CS(=O)(=O)[O-],"InChI=1/CH4O3S.Ag/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",CH4O3S.Ag,,,,,,MLKQJVFHEUORBO-UHFFFAOYSA-M,,,,,,,,,,,
100.021.463,223-607-4,1/10/3976,N-phenylmorpholine hydrochloride,4-phenylmorpholine hydrochloride,Cl.C1CN(CCO1)c2ccccc2,Cl.C1CN(CCO1)c2ccccc2,"InChI=1/C10H13NO.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-5H,6-9H2;1H",C10H13NO.ClH,,,,,,OJTANAMJGXNZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.465,223-610-0,3976-69-0,Methyl (R)-(-)-3-hydroxybutyrate,methyl 3-hydroxybutanoate,COC(=O)C[C@@H](C)O,COC(=O)C[C@@H](C)O,"InChI=1/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3",C5H10O3,,,,,,LDLDJEAVRNAEBW-SCSAIBSYSA-N,,,,,,,,,,,
100.021.467,223-612-1,3977-29-5,2-amino-6-methylpyrimidin-4-ol,2-amino-6-methylpyrimidin-4-ol,Cc1cc(O)nc(N)n1,Cc1cc(O)nc(N)n1,"InChI=1/C5H7N3O/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9)",C5H7N3O,,,,,,KWXIPEYKZKIAKR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.476,223-622-6,3982-91-0,Thiophosphoryl trichloride,phosphorothioic trichloride,ClP(=S)(Cl)Cl,ClP(=S)(Cl)Cl,"InChI=1/Cl3PS/c1-4(2,3)5",Cl3PS,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6323,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.476,WQYSXVGEZYESBR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.000,218-699-8,2216-84-4,"1,2,3,4,5,6-cyclohexanehexacarboxylic acid","cyclohexane-1,2,3,4,5,6-hexacarboxylic acid",OC(=O)C1C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,OC(=O)C1C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1/C12H12O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C12H12O12,,,,,,DTGRIEIJTWNZQF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.384,222-421-0,3466-32-8,1-bromo-4-(methylsulphonyl)benzene,1-bromo-4-(methylsulfonyl)benzene,CS(=O)(=O)c1ccc(Br)cc1,CS(=O)(=O)c1ccc(Br)cc1,"InChI=1/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3",C7H7BrO2S,,,,,,FJLFSYRGFJDJMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.465,246-727-9,25188-42-5,7-benzamido-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid,7-(benzoylamino)-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S(O)(=O)=O,"InChI=1/C29H21N5O8S2/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42)",C29H21N5O8S2,,,,,,IGXZMQCLUNTWCC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.472,246-735-2,25225-08-5,"a,3,3-trimethylcyclohexylmethyl formate","1-(3,3-dimethylcyclohexyl)ethyl formate",CC(OC=O)C1CCCC(C)(C)C1,CC(OC=O)C1CCCC(C)(C)C1,"InChI=1/C11H20O2/c1-9(13-8-12)10-5-4-6-11(2,3)7-10/h8-10H,4-7H2,1-3H3",C11H20O2,,,,,,NFASPEPDTMCBEN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.473,246-736-8,25225-09-6,"a,3,3-trimethylcyclohexanemethanol","1-(3,3-dimethylcyclohexyl)ethanol",CC(O)C1CCCC(C)(C)C1,CC(O)C1CCCC(C)(C)C1,"InChI=1/C10H20O/c1-8(11)9-5-4-6-10(2,3)7-9/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,BVUYQSFBRKUJNK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.475,246-738-9,25226-98-6,"(E)-(3,3-diethoxy-1-propenyl)benzene","(3,3-diethoxyprop-1-en-1-yl)benzene",CCOC(OCC)\\C=C\\c1ccccc1,CCOC(OCC)\C=C\c1ccccc1,"InChI=1/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3",C13H18O2,,,,,,VYKDEWVAUWARRX-ZHACJKMWSA-N,,,,,,,,,,,
100.042.489,246-754-6,25244-30-8,4-(allyloxy)-1-bromobenzene,1-(allyloxy)-4-bromobenzene,Brc1ccc(OCC=C)cc1,Brc1ccc(OCC=C)cc1,"InChI=1/C9H9BrO/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2",C9H9BrO,,,,,,ZXCVTYLZFUQVIE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.491,246-756-7,25245-34-5,"2-bromo-1,4-dimethoxybenzene","2-bromo-1,4-dimethoxybenzene",COc1ccc(OC)c(Br)c1,COc1ccc(OC)c(Br)c1,"InChI=1/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3",C8H9BrO2,,,,,,DWCGNRKFLRLWCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.494,246-759-3,25251-51-8,3-(tert-butyldioxy)-3-phenylphthalide,3-(tert-butylperoxy)-3-phenyl-2-benzofuran-1(3H)-one,CC(C)(C)OOC1(OC(=O)c2ccccc12)c3ccccc3,CC(C)(C)OOC1(OC(=O)c2ccccc12)c3ccccc3,"InChI=1/C18H18O4/c1-17(2,3)21-22-18(13-9-5-4-6-10-13)15-12-8-7-11-14(15)16(19)20-18/h4-12H,1-3H3",C18H18O4,,,,,,JJHHIGCUQPTUHO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.497,246-763-5,25254-23-3,"7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid","7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Cl)n4,Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Cl)n4,"InChI=1/C20H14Cl2N6O8S2/c1-36-11-3-5-13(14(8-11)37(30,31)32)27-28-16-15(38(33,34)35)7-9-6-10(2-4-12(9)17(16)29)23-20-25-18(21)24-19(22)26-20/h2-8,29H,1H3,(H,30,31,32)(H,33,34,35)(H,23,24,25,26)",C20H14Cl2N6O8S2,,,,,,AXIQHVSCTJFZLB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.125,248-553-9,27593-43-7,Ethyl 3-(acetoxy)-3-butenoate,ethyl 3-acetoxybut-3-enoate,CCOC(=O)CC(=C)OC(=O)C,CCOC(=O)CC(=C)OC(=O)C,"InChI=1/C8H12O4/c1-4-11-8(10)5-6(2)12-7(3)9/h2,4-5H2,1,3H3",C8H12O4,,,,,,MSFQVKVROYFEJO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.958,250-570-1,31323-44-1,Octachlorotrisiloxane,octachlorotrisiloxane,Cl[Si](Cl)(Cl)O[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)O[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl,"InChI=1/Cl8O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6",Cl8O2Si3,,,,,,CLXMTJZPFVPWAX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.960,250-572-2,31329-57-4,Naftidrofuryl,2-(diethylamino)ethyl 3-(1-naphthyl)-2-(tetrahydrofuran-2-ylmethyl)propanoate,CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23,CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23,"InChI=1/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3",C24H33NO3,,,,,,KBAFPSLPKGSANY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.962,250-574-3,31334-48-2,1-(2-isobutoxy-1-methylethoxy)propan-2-ol,1-(2-isobutoxy-1-methylethoxy)propan-2-ol,CC(C)COCC(C)OCC(C)O,CC(C)COCC(C)OCC(C)O,"InChI=1/C10H22O3/c1-8(2)5-12-7-10(4)13-6-9(3)11/h8-11H,5-7H2,1-4H3",C10H22O3,,,,,,IRMJKQPPTUZTNE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.966,250-579-0,31351-20-9,Dodecyldimethyl(a-methylphenacyl)ammonium bromide,"N,N-dimethyl-N-(1-methyl-2-oxo-2-phenylethyl)dodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)C(C)C(=O)c1ccccc1,[Br-].CCCCCCCCCCCC[N+](C)(C)C(C)C(=O)c1ccccc1,"InChI=1/C23H40NO.BrH/c1-5-6-7-8-9-10-11-12-13-17-20-24(3,4)21(2)23(25)22-18-15-14-16-19-22;/h14-16,18-19,21H,5-13,17,20H2,1-4H3;1H/q+1;/p-1",C23H42NO.Br,,,,,,BWLHHTQHGKWCGX-UHFFFAOYSA-M,,,,,,,,,,,
100.045.971,250-584-8,31354-66-2,1-(2-cyanoethyl)-2-[4-(diethylamino)phenyl]benz[cd]indolium chloride,1-(2-cyanoethyl)-2-[4-(diethylamino)phenyl]benzo[cd]indolium chloride,[Cl-].CCN(CC)c1ccc(cc1)C2=[N+](CCC#N)c3cccc4cccc2c34,[Cl-].CCN(CC)c1ccc(cc1)C2=[N+](CCC#N)c3cccc4cccc2c34,"InChI=1/C24H24N3.ClH/c1-3-26(4-2)20-14-12-19(13-15-20)24-21-10-5-8-18-9-6-11-22(23(18)21)27(24)17-7-16-25;/h5-6,8-15H,3-4,7,17H2,1-2H3;1H/q+1;/p-1",C24H24N3.Cl,,,,,,NDHHQVODEQNJBL-UHFFFAOYSA-M,,,,,,,,,,,
100.045.974,250-587-4,31356-36-2,"N-(2,4-dinitrophenyl)-DL-norleucine","N-(2,4-dinitrophenyl)norleucine",OC(=O)[C@H](CCCC)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,OC(=O)[C@H](CCCC)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C12H15N3O6/c1-2-3-4-10(12(16)17)13-9-6-5-8(14(18)19)7-11(9)15(20)21/h5-7,10,13H,2-4H2,1H3,(H,16,17)",C12H15N3O6,,,,,,BXMHDHVQCLEBPS-JTQLQIEISA-N,,,,,,,,,,,
100.018.497,220-346-8,2730-71-4,Thiocolchicine,"N-[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide",CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=C\\C=C(\\SC)C(=O)\\C=C12,CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=C\C=C(\SC)C(=O)\C=C12,"InChI=1/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)",C22H25NO5S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1495,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.497,CMEGANPVAXDBPL-INIZCTEOSA-N,,,,,,,,,,,
100.020.003,222-002-2,3312-77-4,Dihexadecyl sulphide,"1,1'-sulfanediyldihexadecane",CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC,"InChI=1/C32H66S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C32H66S,,,,,,OILQNNHOQFRDJH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.015,222-015-3,3318-61-4,"1-phenylpentane-2,4-dione","1-phenylpentane-2,4-dione",CC(=O)CC(=O)Cc1ccccc1,CC(=O)CC(=O)Cc1ccccc1,"InChI=1/C11H12O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C11H12O2,,,,,,NROOHYGFTHTDFF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.460,219-204-8,2386-60-9,Butane-1-sulphonyl chloride,butane-1-sulfonyl chloride,CCCCS(=O)(=O)Cl,CCCCS(=O)(=O)Cl,"InChI=1/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3",C4H9ClO2S,,,,,,WEDIIKBPDQQQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.472,219-217-9,7/12/2388,Peroxylauric acid,undecyl hydrogen carbonate,CCCCCCCCCCCOC(=O)O,CCCCCCCCCCCOC(=O)O,"InChI=1/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14/h2-11H2,1H3,(H,13,14)",C12H24O3,,,,,,YDHUJZYBNAPVOE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.477,219-223-1,2389-60-8,IN2-(benzyloxycarbonyl)-N6-(tert-butoxycarbonyl)-L-lysine,N~2~-[(benzyloxy)carbonyl]-N~6~-(tert-butoxycarbonyl)lysine,CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)O,CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C19H28N2O6/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)",C19H28N2O6,,,,,,DYSBKEOCHROEGX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.481,219-227-3,2390-22-9,"1-methyl-4-[3,3,3-tris(4-chlorophenyl)propionyl]piperazine","1-methyl-4-[3,3,3-tris(4-chlorophenyl)propanoyl]piperazine",CN1CCN(CC1)C(=O)CC(c2ccc(Cl)cc2)(c3ccc(Cl)cc3)c4ccc(Cl)cc4,CN1CCN(CC1)C(=O)CC(c2ccc(Cl)cc2)(c3ccc(Cl)cc3)c4ccc(Cl)cc4,"InChI=1/C26H25Cl3N2O/c1-30-14-16-31(17-15-30)25(32)18-26(19-2-8-22(27)9-3-19,20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21/h2-13H,14-18H2,1H3",C26H25Cl3N2O,,,,,,SWDPECKACXBPCX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.482,219-228-9,2390-54-7,"2-[4-(dimethylamino)phenyl]-3,6-dimethylbenzothiazolium chloride","2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium chloride",[Cl-].CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C,[Cl-].CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C,"InChI=1/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1",C17H19N2S.Cl,,,,,,JADVWWSKYZXRGX-UHFFFAOYSA-M,,,,,,,,,,,
100.017.485,219-232-0,2390-60-5,"[4-[4-(diethylamino)-a-[4-(ethylamino)-1-naphthyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium chloride","N-(4-{[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride",[Cl-].CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14,[Cl-].CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14,"InChI=1/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H",C33H40N3.Cl,,,,,,ROVRRJSRRSGUOL-UHFFFAOYSA-N,,,,,,,,,,,
100.017.496,219-244-6,2392-48-5,"4-chloro-1-(2,4-dichlorophenoxy)-2-nitrobenzene","2,4-dichloro-1-(4-chloro-2-nitrophenoxy)benzene",[O-][N+](=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,[O-][N+](=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,InChI=1/C12H6Cl3NO3/c13-7-1-3-11(9(15)5-7)19-12-4-2-8(14)6-10(12)16(17)18/h1-6H,C12H6Cl3NO3,,,,,,OQMMGSQEZLAGCX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.497,219-245-1,2393-17-1,3-(p-aminophenyl)propionic acid,3-(4-aminophenyl)propanoic acid,Nc1ccc(CCC(=O)O)cc1,Nc1ccc(CCC(=O)O)cc1,"InChI=1/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)",C9H11NO2,,,,,,WXOHKMNWMKZMND-UHFFFAOYSA-N,,,,,,,,,,,
100.017.498,219-246-7,2393-18-2,p-aminocinnamic acid,3-(4-aminophenyl)acrylic acid,Nc1ccc(\\C=C\\C(=O)O)cc1,Nc1ccc(\C=C\C(=O)O)cc1,"InChI=1/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)",C9H9NO2,,,,,,JOLPMPPNHIACPD-ZZXKWVIFSA-N,,,,,,,,,,,
100.017.499,219-247-2,2393-23-9,p-anisylamine,1-(4-methoxyphenyl)methanamine,COc1ccc(CN)cc1,COc1ccc(CN)cc1,"InChI=1/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3",C8H11NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7183,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.499,IDPURXSQCKYKIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.004,220-904-0,2933-59-7,2-(1-naphthylamino)ethanol,2-(1-naphthylamino)ethanol,OCCNc1cccc2ccccc12,OCCNc1cccc2ccccc12,"InChI=1/C12H13NO/c14-9-8-13-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14H,8-9H2",C12H13NO,,,,,,HLJIIZLYKMQFSS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.005,220-905-6,2933-94-0,Toliprolol,1-(isopropylamino)-3-(3-methylphenoxy)propan-2-ol,CC(C)NCC(O)COc1cccc(C)c1,CC(C)NCC(O)COc1cccc(C)c1,"InChI=1/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3",C13H21NO2,,,,,,NXQMNKUGGYNLBY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.880,218-568-5,2184-15-8,"2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-3-[(2-sulfophenyl)azo]-, pentasodium salt","pentasodium 4-hydroxy-5-{[4-({5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino}-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8ccccc8N=Nc1c(O)c7c(cc1S([O-])(=O)=O)cc(cc7Nc5nc(nc(Nc3cc4cc(c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)n5)N6CCOCC6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8ccccc8N=Nc1c(O)c7c(cc1S([O-])(=O)=O)cc(cc7Nc5nc(nc(Nc3cc4cc(c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)n5)N6CCOCC6)S([O-])(=O)=O,"InChI=1/C40H34N10O19S5.5Na/c1-68-23-7-9-27(30(18-23)72(59,60)61)47-48-34-31(73(62,63)64)16-20-14-22(6-8-25(20)36(34)51)41-38-43-39(45-40(44-38)50-10-12-69-13-11-50)42-28-19-24(70(53,54)55)15-21-17-32(74(65,66)67)35(37(52)33(21)28)49-46-26-4-2-3-5-29(26)71(56,57)58;;;;;/h2-9,14-19,51-52H,10-13H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H2,41,42,43,44,45);;;;;/q;5*+1/p-5",C40H34N10O19S5.5Na,,,,,,MZCYQFGVCVZZLQ-UHFFFAOYSA-I,,,,,,,,,,,
100.016.882,218-570-6,2185-00-4,"Oxazolidine-2,5-dione","1,3-oxazolidine-2,5-dione",O=C1CNC(=O)O1,O=C1CNC(=O)O1,"InChI=1/C3H3NO3/c5-2-1-4-3(6)7-2/h1H2,(H,4,6)",C3H3NO3,,,,,,ARAFEULRMHFMDE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.255,222-280-5,3403-82-5,"4,4'-oxybisbutan-1-ol","4,4'-oxydibutan-1-ol",OCCCCOCCCCO,OCCCCOCCCCO,"InChI=1/C8H18O3/c9-5-1-3-7-11-8-4-2-6-10/h9-10H,1-8H2",C8H18O3,,,,,,LYKRIFJRHXXXDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.257,222-282-6,3404-58-8,3-ethylhex-1-ene,3-ethylhex-1-ene,CCCC(CC)C=C,CCCC(CC)C=C,"InChI=1/C8H16/c1-4-7-8(5-2)6-3/h5,8H,2,4,6-7H2,1,3H3",C8H16,,,,,,OLGHJTHQWQKJQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.258,222-283-1,3404-61-3,3-methylhex-1-ene,3-methylhex-1-ene,CCCC(C)C=C,CCCC(C)C=C,"InChI=1/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3",C7H14,,,,,,RITONZMLZWYPHW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.263,222-288-9,3405-45-6,N-methyldibutylamine,N-butyl-N-methylbutan-1-amine,CCCCN(C)CCCC,CCCCN(C)CCCC,"InChI=1/C9H21N/c1-4-6-8-10(3)9-7-5-2/h4-9H2,1-3H3",C9H21N,,,,,,MTHFROHDIWGWFD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.266,222-292-0,9/03/3406,1-phenyl-2-(phenylsulphonyl)ethan-1-one,1-phenyl-2-(phenylsulfonyl)ethanone,O=C(CS(=O)(=O)c1ccccc1)c2ccccc2,O=C(CS(=O)(=O)c1ccccc1)c2ccccc2,"InChI=1/C14H12O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10H,11H2",C14H12O3S,,,,,,DREVPGKOIZVPQV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.268,222-294-1,3407-42-9,"3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol","3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol",CC1C2CC(CC2C3CCCC(O)C3)C1(C)C,CC1C2CC(CC2C3CCCC(O)C3)C1(C)C,"InChI=1/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3",C16H28O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11570,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.268,BWVZAZPLUTUBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.269,222-295-7,3409-56-1,Calcium bis(N-acetyl-DL-methioninate),calcium bis[2-acetamido-4-(methylsulfanyl)butanoate],[Ca+2].CSCC[C@H](NC(=O)C)C(=O)[O-].CSCC[C@H](NC(=O)C)C(=O)[O-],[Ca+2].CSCC[C@H](NC(=O)C)C(=O)[O-].CSCC[C@H](NC(=O)C)C(=O)[O-],"InChI=1/2C7H13NO3S.Ca/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);/q;;+2/p-2",C7H13NO3S.1/2Ca,,,,,,RSLXYULLPVSFOZ-UAIGZDOSSA-L,,,,,,,,,,,
100.020.275,222-301-8,3412-99-5,Diethyl [(m-chloroanilino)methylene]malonate,diethyl {[(3-chlorophenyl)amino]methylene}malonate,CCOC(=O)C(=CNc1cccc(Cl)c1)C(=O)OCC,CCOC(=O)C(=CNc1cccc(Cl)c1)C(=O)OCC,"InChI=1/C14H16ClNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-6-10(15)8-11/h5-9,16H,3-4H2,1-2H3",C14H16ClNO4,,,,,,BPRVACYIWCWMTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.277,222-303-9,3413-59-0,2-(4-butoxyphenyl)acetamide,2-(4-butoxyphenyl)acetamide,CCCCOc1ccc(CC(=O)N)cc1,CCCCOc1ccc(CC(=O)N)cc1,"InChI=1/C12H17NO2/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H2,13,14)",C12H17NO2,,,,,,RSMPEQBSFXBQMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.282,222-309-1,3416-18-0,"2,3-dihydro-5-hydroxyindol-2-one","5-hydroxy-1,3-dihydro-2H-indol-2-one",Oc1ccc2NC(=O)Cc2c1,Oc1ccc2NC(=O)Cc2c1,"InChI=1/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-3,10H,4H2,(H,9,11)",C8H7NO2,,,,,,ZGTUSQAQXWSMDW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.283,222-310-7,3416-22-6,Calcium fumarate (1:2),calcium fumarate (1:2),[CaH2].[O-]C(=O)\\C=C\\C(=O)[O-].[O-]C(=O)\\C=C\\C(=O)[O-],[CaH2].[O-]C(=O)\C=C\C(=O)[O-].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/2C4H4O4.Ca.2H/c2*5-3(6)1-2-4(7)8;;;/h2*1-2H,(H,5,6)(H,7,8);;;/q;;+2;;/p-4/r2C4H4O4.CaH2/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);1H2/q;;+2/p-4",C4H4O4.1/2Ca,,,,,,ZOZLPTVMZOBXQJ-NFMYELBMSA-J,,,,,,,,,,,
100.020.286,222-313-3,3417-91-2,Methyl L-tyrosinate hydrochloride,methyl L-tyrosinate hydrochloride,Cl.COC(=O)[C@@H](N)Cc1ccc(O)cc1,Cl.COC(=O)[C@@H](N)Cc1ccc(O)cc1,"InChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H",C10H13NO3.ClH,,,,,,VXYFARNRGZWHTJ-FVGYRXGTSA-N,,,,,,,,,,,
100.020.292,222-320-1,3425-46-5,Potassium selenocyanate,potassium selenocyanate,[K+].[Se-]C#N,[K+].[Se-]C#N,InChI=1/CHNSe.K/c2-1-3;/h3H;/q;+1/p-1,CHNSe.K,,,,,,GLBGTRIHJMPIPD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.294,222-322-2,3425-72-7,1-methyl-1-phenylethyl acetate,1-methyl-1-phenylethyl acetate,CC(=O)OC(C)(C)c1ccccc1,CC(=O)OC(C)(C)c1ccccc1,"InChI=1/C11H14O2/c1-9(12)13-11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3",C11H14O2,,,,,,XPMMKIYJJWQFOR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.386,222-423-1,3467-59-2,"N-(2,5-dimethoxyphenyl)acetamide","N-(2,5-dimethoxyphenyl)acetamide",COc1ccc(OC)c(NC(=O)C)c1,COc1ccc(OC)c(NC(=O)C)c1,"InChI=1/C10H13NO3/c1-7(12)11-9-6-8(13-2)4-5-10(9)14-3/h4-6H,1-3H3,(H,11,12)",C10H13NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5639,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.386,HOZRMSVNIKYCMB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.387,222-424-7,3468-00-6,3-methyl-2-phenyl-8-(1-propenyl)-4-benzopyrone,3-methyl-2-phenyl-8-prop-1-en-1-yl-4H-chromen-4-one,CC=Cc1cccc2C(=O)C(=C(Oc12)c3ccccc3)C,CC=Cc1cccc2C(=O)C(=C(Oc12)c3ccccc3)C,"InChI=1/C19H16O2/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h3-12H,1-2H3",C19H16O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6532,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.387,FDZILCXQMSTFED-UHFFFAOYSA-N,,,,,,,,,,,
100.020.389,222-426-8,9/11/3468,1-imino-1H-isoindol-3-amine,1-imino-1H-isoindol-3-amine,NC1=NC(=N)c2ccccc12,NC1=NC(=N)c2ccccc12,"InChI=1/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)",C8H7N3,,,,,,RZVCEPSDYHAHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.390,222-427-3,3468-40-4,"Benzene-1,3,5-triyl trinicotinate","benzene-1,3,5-triyl trinicotinate",O=C(Oc1cc(OC(=O)c2cccnc2)cc(OC(=O)c3cccnc3)c1)c4cccnc4,O=C(Oc1cc(OC(=O)c2cccnc2)cc(OC(=O)c3cccnc3)c1)c4cccnc4,InChI=1/C24H15N3O6/c28-22(16-4-1-7-25-13-16)31-19-10-20(32-23(29)17-5-2-8-26-14-17)12-21(11-19)33-24(30)18-6-3-9-27-15-18/h1-15H,C24H15N3O6,,,,,,PTSXETMTZDEFBO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.399,222-437-8,3470-98-2,1-butylpyrrolidin-2-one,1-butylpyrrolidin-2-one,CCCCN1CCCC1=O,CCCCN1CCCC1=O,"InChI=1/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3",C8H15NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10579,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.399,BNXZHVUCNYMNOS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.407,222-446-7,2/04/3474,Uridylyl-(3'<U+2192>5')-guanosine,"[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl 5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate (non-preferred name)",NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4CC(O)(OC4CO)N5C=CC(=O)NC5=O)C(O)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4CC(O)(OC4CO)N5C=CC(=O)NC5=O)C(O)C3O)C(=O)N1,"InChI=1/C19H24N7O13P/c20-17-23-14-11(15(31)24-17)21-6-25(14)16-13(30)12(29)9(37-16)5-36-40(34,35)39-7-3-19(33,38-8(7)4-27)26-2-1-10(28)22-18(26)32/h1-2,6-9,12-13,16,27,29-30,33H,3-5H2,(H,34,35)(H,22,28,32)(H3,20,23,24,31)",C19H24N7O13P,,,,,,ZXNXWZNXTBWPHC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.408,222-447-2,8/07/3475,1-methyl-2-phenyl-1H-imidazole,1-methyl-2-phenyl-1H-imidazole,Cn1ccnc1c2ccccc2,Cn1ccnc1c2ccccc2,"InChI=1/C10H10N2/c1-12-8-7-11-10(12)9-5-3-2-4-6-9/h2-8H,1H3",C10H10N2,,,,,,OQJQPIWVCBJVAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.424,222-465-0,3482-63-1,1-methoxydodecane,1-methoxydodecane,CCCCCCCCCCCCOC,CCCCCCCCCCCCOC,"InChI=1/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3",C13H28O,,,,,,JWCACDSKXWPOFF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.425,222-466-6,3482-74-4,2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide monohydrochloride,2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide hydrochloride,Cl.CCN(CC)CCNC(=O)COc1ccc(Cl)cc1,Cl.CCN(CC)CCNC(=O)COc1ccc(Cl)cc1,"InChI=1/C14H21ClN2O2.ClH/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3,(H,16,18);1H",C14H21ClN2O2.ClH,,,,,,FIWBEGJXLDEFDE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.467,220-313-8,2717-42-2,"1,2,4-trimethylnaphthalene","1,2,4-trimethylnaphthalene",Cc1cc(C)c2ccccc2c1C,Cc1cc(C)c2ccccc2c1C,"InChI=1/C13H14/c1-9-8-10(2)12-6-4-5-7-13(12)11(9)3/h4-8H,1-3H3",C13H14,,,,,,JCNGSJUYPCVGAM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.468,220-314-3,2718-77-6,2-(diphenylamino)-5-[(3-ethyl-3H-benzoxazol-2-ylidene)ethylidene]thiazol-4(5H)-one,"2-(diphenylamino)-5-[2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-1,3-thiazol-4(5H)-one",CCN4c5ccccc5OC4=CC=C1S/C(=N\\C1=O)N(c2ccccc2)c3ccccc3,CCN4c5ccccc5OC4=CC=C1S/C(=N\C1=O)N(c2ccccc2)c3ccccc3,"InChI=1/C26H21N3O2S/c1-2-28-21-15-9-10-16-22(21)31-24(28)18-17-23-25(30)27-26(32-23)29(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18H,2H2,1H3",C26H21N3O2S,,,,,,ITFOFRBMZFRAFD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.472,220-319-0,2719-14-4,N-(4-methyl-3-nitrophenyl)acetamide,N-(4-methyl-3-nitrophenyl)acetamide,CC(=O)Nc1ccc(C)c(c1)[N+](=O)[O-],CC(=O)Nc1ccc(C)c(c1)[N+](=O)[O-],"InChI=1/C9H10N2O3/c1-6-3-4-8(10-7(2)12)5-9(6)11(13)14/h3-5H,1-2H3,(H,10,12)",C9H10N2O3,,,,,,XYTSBFSNPUGBIH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.479,220-326-9,2719-63-3,5-phenyldodecane,(1-butyloctyl)benzene,CCCCCCCC(CCCC)c1ccccc1,CCCCCCCC(CCCC)c1ccccc1,"InChI=1/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3",C18H30,,,,,,NPAWGLOPXKCTCV-UHFFFAOYSA-N,,,,,,,,,,,
100.018.481,220-329-5,2720-73-2,Potassium O-pentyl dithiocarbonate,potassium O-pentyl dithiocarbonate,[K+].CCCCCOC(=S)[S-],[K+].CCCCCOC(=S)[S-],"InChI=1/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1",C6H12OS2.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14568,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.481,YIBBMDDEXKBIAM-UHFFFAOYSA-M,,,,,,,,,,,
100.018.489,220-337-9,2724-66-5,"(2,4,6-trichlorophenyl)hydrazine monohydrochloride","(2,4,6-trichlorophenyl)hydrazine hydrochloride",Cl.NNc1c(Cl)cc(Cl)cc1Cl,Cl.NNc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C6H5Cl3N2.ClH/c7-3-1-4(8)6(11-10)5(9)2-3;/h1-2,11H,10H2;1H",C6H5Cl3N2.ClH,,,,,,ADTJGIMHXSBSPS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.977,250-591-6,31363-74-3,"3-(2-aminoethyl)-1H-indole-5,7-diol","3-(2-aminoethyl)-1H-indole-5,7-diol",NCCc1c[nH]c2c(O)cc(O)cc12,NCCc1c[nH]c2c(O)cc(O)cc12,"InChI=1/C10H12N2O2/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14/h3-5,12-14H,1-2,11H2",C10H12N2O2,,,,,,LXWHQTNFZDTKBH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.981,250-595-8,31366-95-7,"Sodium 4-(1,1-dimethylpropyl)phenolate","sodium 4-(1,1-dimethylpropyl)phenolate",[Na+].CCC(C)(C)c1ccc([O-])cc1,[Na+].CCC(C)(C)c1ccc([O-])cc1,"InChI=1/C11H16O.Na/c1-4-11(2,3)9-5-7-10(12)8-6-9;/h5-8,12H,4H2,1-3H3;/q;+1/p-1",C11H16O.Na,,,,,,QZIINTXQNXZHLR-UHFFFAOYSA-M,,,,,,,,,,,
100.045.986,250-601-9,31375-20-9,N-[(4-amino-2-methyl-5-pyrimidyl)methyl]thioformamide,N-[(4-amino-2-methylpyrimidin-5-yl)methyl]thioformamide,Cc1ncc(CNC=S)c(N)n1,Cc1ncc(CNC=S)c(N)n1,"InChI=1/C7H10N4S/c1-5-10-3-6(2-9-4-12)7(8)11-5/h3-4H,2H2,1H3,(H,9,12)(H2,8,10,11)",C7H10N4S,,,,,,FWUKTPVTANTBJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.993,250-609-2,31393-23-4,Methylbenzo[b]thiophene,2-methyl-1-benzothiophene,Cc1cc2ccccc2s1,Cc1cc2ccccc2s1,"InChI=1/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3",C9H8S,,,,,,BLZKSRBAQDZAIX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.803,248-199-5,27059-94-5,N-iodoacetamide,N-iodoacetamide,CC(=O)NI,CC(=O)NI,"InChI=1/C2H4INO/c1-2(5)4-3/h1H3,(H,4,5)",C2H4INO,,,,,,UULXSTDDDXOTIY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.804,248-200-9,27063-48-5,Bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride,bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride,ClC(=O)C1CC2CC1C=C2,ClC(=O)C1CC2CC1C=C2,"InChI=1/C8H9ClO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2",C8H9ClO,,,,,,HXYXVFUUHSZSNV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.805,248-201-4,27064-94-4,"1,1'-(chloromethylene)bis[4-fluorobenzene]","1,1'-(chloromethylene)bis(4-fluorobenzene)",Fc1ccc(cc1)C(Cl)c2ccc(F)cc2,Fc1ccc(cc1)C(Cl)c2ccc(F)cc2,"InChI=1/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H",C13H9ClF2,,,,,,FHPNLCLHMNPLEW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.810,248-207-7,27072-45-3,"3',6'-dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-dihydroxy-6-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(cc45)N=C=S)c1,Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(cc45)N=C=S)c1,"InChI=1/C21H11NO5S/c23-12-2-5-15-18(8-12)26-19-9-13(24)3-6-16(19)21(15)17-7-11(22-10-28)1-4-14(17)20(25)27-21/h1-9,23-24H",C21H11NO5S,,,,,,GTQFZXYECNSNNC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.824,248-222-9,27096-30-6,Diethylammonium nitrate,N-ethylethanaminium nitrate,CC[NH2+]CC.[O-][N+](=O)[O-],CC[NH2+]CC.[O-][N+](=O)[O-],"InChI=1/C4H11N.NO3/c1-3-5-4-2;2-1(3)4/h5H,3-4H2,1-2H3;/q;-1/p+1",C4H11N.HNO3,,,,,,SEOMTQNOPDIZEI-UHFFFAOYSA-O,,,,,,,,,,,
100.043.831,248-230-2,27115-36-2,Chromium triformate,chromium(3+) triformate,[Cr+3].[O-]C=O.[O-]C=O.[O-]C=O,[Cr+3].[O-]C=O.[O-]C=O.[O-]C=O,"InChI=1/3CH2O2.Cr/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3",CH2O2.1/3Cr,,,,,,QOWZHEWZFLTYQP-UHFFFAOYSA-K,,,,,,,,,,,
100.043.834,248-233-9,27115-86-2,Dacuronium bromide,"3-acetoxy-17-hydroxy-2,16-bis(1-methylpiperidinium-1-yl)androstane dibromide",[Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@H](C[C@@H]34)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1[N+]6(C)CCCCC6,[Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@H](C[C@@H]34)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1[N+]6(C)CCCCC6,"InChI=1/C33H58N2O3.2BrH/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2",C33H58N2O3.2Br,,,,,,SUKULMJPMHYWKC-GMMLHHOXSA-L,,,,,,,,,,,
100.043.839,248-239-1,27124-12-5,"Methyl 18-ß-acetoxy-10,17-a-dimethoxy-3-oxo-2,3-seco-20-a-yohimbane-16-ß-carboxylate",methyl 7-acetoxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxodecahydroisoquinoline-5-carboxylate,COC1C(CC2CN(CCc3c[nH]c4ccc(OC)cc34)C(=O)CC2C1C(=O)OC)OC(=O)C,COC1C(CC2CN(CCc3c[nH]c4ccc(OC)cc34)C(=O)CC2C1C(=O)OC)OC(=O)C,"InChI=1/C25H32N2O7/c1-14(28)34-21-9-16-13-27(22(29)11-19(16)23(24(21)32-3)25(30)33-4)8-7-15-12-26-20-6-5-17(31-2)10-18(15)20/h5-6,10,12,16,19,21,23-24,26H,7-9,11,13H2,1-4H3",C25H32N2O7,,,,,,BTQSFHGEXFKNQE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.841,248-241-2,27129-87-9,"3,5-dimethylbenzyl alcohol","(3,5-dimethylphenyl)methanol",Cc1cc(C)cc(CO)c1,Cc1cc(C)cc(CO)c1,"InChI=1/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3",C9H12O,,,,,,IQWWTJDRVBWBEL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.842,248-242-8,27132-23-6,Dimethyl diethylmalonate,dimethyl diethylmalonate,CCC(CC)(C(=O)OC)C(=O)OC,CCC(CC)(C(=O)OC)C(=O)OC,"InChI=1/C9H16O4/c1-5-9(6-2,7(10)12-3)8(11)13-4/h5-6H2,1-4H3",C9H16O4,,,,,,AYBLPISRXMEMBV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.847,248-248-0,27136-73-8,"2-(heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol","2-(2-heptadec-1-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol",OCCN1CC\\N=C1\\C=CCCCCCCCCCCCCCCC,OCCN1CC\N=C1\C=CCCCCCCCCCCCCCCC,"InChI=1/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3",C22H42N2O,,,,,,BNGLZYYFFZFNDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.555,244-626-4,21876-47-1,1-methyl-3-sulphonatopyridinium,1-methylpyridinium-3-sulfonate,C[n+]1cccc(c1)S(=O)(=O)[O-],C[n+]1cccc(c1)S(=O)(=O)[O-],"InChI=1/C6H7NO3S/c1-7-4-2-3-6(5-7)11(8,9)10/h2-5H,1H3",C6H7NO3S,,,,,,AVYIOHJNFRTXIT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.004,218-703-8,2216-94-6,Ethyl 3-phenylprop-2-ynoate,ethyl 3-phenylprop-2-ynoate,CCOC(=O)C#Cc1ccccc1,CCOC(=O)C#Cc1ccccc1,"InChI=1/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3",C11H10O2,,,,,,ACJOYTKWHPEIHW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.006,218-705-9,4/07/2217,"N,N-dipropylaniline","N,N-dipropylaniline",CCCN(CCC)c1ccccc1,CCCN(CCC)c1ccccc1,"InChI=1/C12H19N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3",C12H19N,,,,,,MMFBQHXDINNBMW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.007,218-706-4,5/08/2217,"5,5-dipropylbarbituric acid","5,5-dipropylpyrimidine-2,4,6(1H,3H,5H)-trione",CCCC1(CCC)C(=O)NC(=O)NC1=O,CCCC1(CCC)C(=O)NC(=O)NC1=O,"InChI=1/C10H16N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",C10H16N2O3,,,,,,RCOUWKSZRXJXLA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.014,218-714-8,2217-43-8,"5,6,7,8-tetrahydro-2-naphthylamine","5,6,7,8-tetrahydronaphthalen-2-amine",Nc1ccc2CCCCc2c1,Nc1ccc2CCCCc2c1,"InChI=1/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4,11H2",C10H13N,,,,,,MOXOFSFWYLTCFU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.016,218-716-9,2217-79-0,Diphenyliodonium iodide,diphenyliodonium iodide,[I-].[I+](c1ccccc1)c2ccccc2,[I-].[I+](c1ccccc1)c2ccccc2,InChI=1/C12H10I.HI/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1,C12H10I.I,,,,,,WQIRVUAXANLUPO-UHFFFAOYSA-M,,,,,,,,,,,
100.017.023,218-724-2,2218-94-2,"1,4-diphenyl-3-(phenylammonio)-1H-1,2,4-triazolium","1,4-diphenyl-3-(phenylammonio)-4,5-dihydro-1H-1,2,4-triazol-1-ium",C1N(C(=N[NH+]1c2ccccc2)[NH2+]c3ccccc3)c4ccccc4,C1N(C(=N[NH+]1c2ccccc2)[NH2+]c3ccccc3)c4ccccc4,"InChI=1/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)/p+2",C20H16N4,,,,,,PZJZKXQHZCCGQN-UHFFFAOYSA-P,,,,,,,,,,,
100.017.024,218-725-8,7/12/2219,2-(1-methyl-1H-benzimidazol-2-yl)phenol,2-(1-methyl-1H-benzimidazol-2-yl)phenol,Cn1c(nc2ccccc12)c3ccccc3O,Cn1c(nc2ccccc12)c3ccccc3O,"InChI=1/C14H12N2O/c1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17/h2-9,17H,1H3",C14H12N2O,,,,,,DBUIKLZNAQEAEE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.027,218-728-4,2219-31-0,Canavanine sulphate,O-carbamimidamidohomoserine sulfate,NC(CCONC(=N)N)C(=O)O.OS(=O)(=O)O,NC(CCONC(=N)N)C(=O)O.OS(=O)(=O)O,"InChI=1/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)",C5H12N4O3.H2O4S,,,,,,MVIPJKVMOKFIEV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.030,218-732-6,2219-72-9,4-tert-butyl-m-cresol,4-tert-butyl-3-methylphenol,Cc1cc(O)ccc1C(C)(C)C,Cc1cc(O)ccc1C(C)(C)C,"InChI=1/C11H16O/c1-8-7-9(12)5-6-10(8)11(2,3)4/h5-7,12H,1-4H3",C11H16O,,,,,,JKINPMFPGULFQY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.035,218-737-3,2222-33-5,"Dibenzo[b,f]cyclohepten-1-one","1H-dibenzo[a,d][7]annulen-1-one",O=C1C=CC=C2C=C3C=CC=CC3=CC=C12,O=C1C=CC=C2C=C3C=CC=CC3=CC=C12,InChI=1/C15H10O/c16-15-7-3-6-13-10-12-5-2-1-4-11(12)8-9-14(13)15/h1-10H,C15H10O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19091,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.035,XXKGRUMRCSAGPP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.039,218-742-0,2223-89-4,"3-[[2-(2,5-dioxopyrrolidin-1-yl)ethyl](3-methylphenyl)amino]propiononitrile","3-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl](3-methylphenyl)amino}propanenitrile",Cc1cccc(c1)N(CCC#N)CCN2C(=O)CCC2=O,Cc1cccc(c1)N(CCC#N)CCN2C(=O)CCC2=O,"InChI=1/C16H19N3O2/c1-13-4-2-5-14(12-13)18(9-3-8-17)10-11-19-15(20)6-7-16(19)21/h2,4-5,12H,3,6-7,9-11H2,1H3",C16H19N3O2,,,,,,SQZMCALHUSFSRR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.041,218-744-1,2223-95-2,Nickel(2+) stearate,nickel(2+) dioctadecanoate,[Ni+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Ni+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Ni,,,,,,JMWUYEFBFUCSAK-UHFFFAOYSA-L,,,,,,,,,,,
100.017.044,218-747-8,2224-33-1,"Butan-2-one O,O',O''-(vinylsilylidyne)trioxime","butan-2-one O,O',O''-(vinylsilanetriyl)oxime",CCC(=NO[Si](ON=C(C)CC)(ON=C(C)CC)C=C)C,CCC(=NO[Si](ON=C(C)CC)(ON=C(C)CC)C=C)C,"InChI=1/C14H27N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h11H,4,8-10H2,1-3,5-7H3",C14H27N3O3Si,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6915,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.044,WXWYJCSIHQKADM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.051,218-755-1,3/05/2226,"2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethanol","2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethanol",CC2(C)C1CCC(C1)C2=CCO,CC2(C)C1CCC(C1)C2=CCO,"InChI=1/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3",C11H18O,,,,,,JGDHOHFQJJATNG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.428,222-469-2,3483-82-7,Ethyl N-benzoyl-L-tyrosinate,ethyl N-benzoyl-L-tyrosinate,CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccccc2,CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccccc2,"InChI=1/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)",C18H19NO4,,,,,,SRLROPAFMUDDRC-INIZCTEOSA-N,,,,,,,,,,,
100.020.429,222-470-8,3485-14-1,Ciclacillin,"6-{[(1-aminocyclohexyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O,"InChI=1/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)",C15H23N3O4S,,,,,,HGBLNBBNRORJKI-WCABBAIRSA-N,,,,,,,,,,,
100.020.295,222-323-8,3425-89-6,"1,2,3,6-tetrahydro-4-methylphthalic anhydride","5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC1=CCC2C(C1)C(=O)OC2=O,CC1=CCC2C(C1)C(=O)OC2=O,"InChI=1/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3",C9H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12709,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.295,OEMSKMUAMXLNKL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.296,222-324-3,5/01/3426,"1,4-diphenylpyrazolidine-3,5-dione","1,4-diphenylpyrazolidine-3,5-dione",O=C1NN(C(=O)C1c2ccccc2)c3ccccc3,O=C1NN(C(=O)C1c2ccccc2)c3ccccc3,"InChI=1/C15H12N2O2/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12/h1-10,13H,(H,16,18)",C15H12N2O2,,,,,,ZZMSHBOVYPIYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.297,222-325-9,2/08/3426,Prozapine,"1-(3,3-diphenylpropyl)azepane",C(CN1CCCCCC1)C(c2ccccc2)c3ccccc3,C(CN1CCCCCC1)C(c2ccccc2)c3ccccc3,"InChI=1/C21H27N/c1-2-10-17-22(16-9-1)18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2",C21H27N,,,,,,QSEKJQWRMSJZDE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.304,222-333-2,3433-37-2,Piperidin-2-ylmethanol,piperidin-2-ylmethanol,OCC1CCCCN1,OCC1CCCCN1,"InChI=1/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2",C6H13NO,,,,,,PRAYXGYYVXRDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.345,220-179-0,2654-52-6,"2,3-dimethylbenzothiazolium p-toluenesulphonate","2,3-dimethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].Cc2sc3ccccc3[n+]2C,Cc1ccc(cc1)S(=O)(=O)[O-].Cc2sc3ccccc3[n+]2C,"InChI=1/C9H10NS.C7H8O3S/c1-7-10(2)8-5-3-4-6-9(8)11-7;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C9H10NS.C7H7O3S,,,,,,GYHJFWZSCIYJKD-UHFFFAOYSA-M,,,,,,,,,,,
100.018.348,220-182-7,2654-66-2,1-benzyl-2-methylpyridinium bromide,1-benzyl-2-methylpyridinium bromide,[Br-].Cc1cccc[n+]1Cc2ccccc2,[Br-].Cc1cccc[n+]1Cc2ccccc2,"InChI=1/C13H14N.BrH/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H/q+1;/p-1",C13H14N.Br,,,,,,LKGFNNSOZPTLSS-UHFFFAOYSA-M,,,,,,,,,,,
100.018.350,220-184-8,2655-48-3,2-acetyl-4-methyl-1-phenylpyrazolidin-3-one,2-acetyl-4-methyl-1-phenylpyrazolidin-3-one,CC1CN(N(C(=O)C)C1=O)c2ccccc2,CC1CN(N(C(=O)C)C1=O)c2ccccc2,"InChI=1/C12H14N2O2/c1-9-8-13(11-6-4-3-5-7-11)14(10(2)15)12(9)16/h3-7,9H,8H2,1-2H3",C12H14N2O2,,,,,,BPNPRBBKUKZUCD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.351,220-185-3,2655-83-6,1-chloro-3-ethoxybenzene,1-chloro-3-ethoxybenzene,CCOc1cccc(Cl)c1,CCOc1cccc(Cl)c1,"InChI=1/C8H9ClO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3",C8H9ClO,,,,,,HNMYSCABMYNGTP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.352,220-186-9,2655-84-7,3-bromophenetole,1-bromo-3-ethoxybenzene,CCOc1cccc(Br)c1,CCOc1cccc(Br)c1,"InChI=1/C8H9BrO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3",C8H9BrO,,,,,,LQBMPJSTUHWGDE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.353,220-187-4,8/08/2656,"N'-(3-hydroxyphenyl)-N,N-dimethylformamidine monohydrochloride","N'-(3-hydroxyphenyl)-N,N-dimethylimidoformamide hydrochloride",Cl.Oc1cccc(N=CN(C)C)c1,Cl.Oc1cccc(N=CN(C)C)c1,"InChI=1/C9H12N2O.ClH/c1-11(2)7-10-8-4-3-5-9(12)6-8;/h3-7,12H,1-2H3;1H",C9H12N2O.ClH,,,,,,BHPGWMKWUGFHJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.357,220-192-1,2664-32-6,p-cumenyl acetate,4-isopropylphenyl acetate,CC(C)c1ccc(OC(=O)C)cc1,CC(C)c1ccc(OC(=O)C)cc1,"InChI=1/C11H14O2/c1-8(2)10-4-6-11(7-5-10)13-9(3)12/h4-8H,1-3H3",C11H14O2,,,,,,SGFXBRIXZGHPBH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.360,220-195-8,2664-60-0,Dodecyl 4-hydroxybenzoate,dodecyl 4-hydroxybenzoate,CCCCCCCCCCCCOC(=O)c1ccc(O)cc1,CCCCCCCCCCCCOC(=O)c1ccc(O)cc1,"InChI=1/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3",C19H30O3,,,,,,BAYSQTBAJQRACX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.365,220-201-9,2666-17-3,"Sodium 4-(4-(N-methylacetamido)phenyl-1-amino)-1-amino-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-9,10-dioxo-4-({4-[(2-oxopropyl)amino]phenyl}amino)-9,10-dihydroanthracene-2-sulfonate",CC(=O)CNc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1,CC(=O)CNc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1,"InChI=1/C23H19N3O6S.Na/c1-12(27)11-25-13-6-8-14(9-7-13)26-17-10-18(33(30,31)32)21(24)20-19(17)22(28)15-4-2-3-5-16(15)23(20)29;/h2-10,25-26H,11,24H2,1H3,(H,30,31,32);/q;+1/p-1/rC23H18N3NaO6S/c1-12(28)11-25-13-6-8-14(9-7-13)26-17-10-18(34(31,32)33-27)21(24)20-19(17)22(29)15-4-2-3-5-16(15)23(20)30/h2-10,25-26H,11,24H2,1H3",C23H19N3O6S.Na,,,,,,LFBAIADAFAFCIK-UHFFFAOYSA-M,,,,,,,,,,,
100.018.370,220-207-1,2668-47-5,"2,6-di-tert-butyl-4-phenylphenol","3,5-di-tert-butylbiphenyl-4-ol",CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2ccccc2,CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2ccccc2,"InChI=1/C20H26O/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(18(16)21)20(4,5)6/h7-13,21H,1-6H3",C20H26O,,,,,,JIEWQZNTUPWNMX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.371,220-208-7,2668-66-8,Medrysone,"11-hydroxy-6-methylpregn-4-ene-3,20-dione",CC(=O)[C@H]2CC[C@H]3[C@@H]4C[C@H](C)\\C1=C\\C(=O)CC[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,CC(=O)[C@H]2CC[C@H]3[C@@H]4C[C@H](C)\C1=C\C(=O)CC[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,"InChI=1/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3",C22H32O3,,,,,,GZENKSODFLBBHQ-ILSZZQPISA-N,,,,,,,,,,,
100.018.494,220-343-1,2728-90-7,"Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate","1,5-diethyl 2,4-dideoxy-3-C-(ethoxycarbonyl)-2,4-difluoropentarate",CCOC(=O)C(F)C(O)(C(F)C(=O)OCC)C(=O)OCC,CCOC(=O)C(F)C(O)(C(F)C(=O)OCC)C(=O)OCC,"InChI=1/C12H18F2O7/c1-4-19-9(15)7(13)12(18,11(17)21-6-3)8(14)10(16)20-5-2/h7-8,18H,4-6H2,1-3H3",C12H18F2O7,,,,,,XMEGHUXSCQCFON-UHFFFAOYSA-N,,,,,,,,,,,
100.020.007,222-006-4,3315-16-0,Silver cyanate,silver(1+) cyanate,[Ag+].[O-]C#N,[Ag+].[O-]C#N,InChI=1/CHNO.Ag/c2-1-3;/h3H;/q;+1/p-1,CHNO.Ag,,,,,,DWBPIWPCOSHWCK-UHFFFAOYSA-M,,,,,,,,,,,
100.020.008,222-008-5,7/02/3316,"8-hydroxynaphthalene-1,3,6-trisulphonic acid","8-hydroxynaphthalene-1,3,6-trisulfonic acid",Oc1cc(cc2cc(cc(c12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2cc(cc(c12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O10S3/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20)",C10H8O10S3,,,,,,KMXMLAGYNHELHA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.463,219-207-4,2386-87-0,7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate,7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate,O=C(OCC1CCC2OC2C1)C3CCC4OC4C3,O=C(OCC1CCC2OC2C1)C3CCC4OC4C3,"InChI=1/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2",C14H20O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13863,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.463,YXALYBMHAYZKAP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.468,219-213-7,2387-23-7,"1,3-dicyclohexylurea","1,3-dicyclohexylurea",O=C(NC1CCCCC1)NC2CCCCC2,O=C(NC1CCCCC1)NC2CCCCC2,"InChI=1/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)",C13H24N2O,,,,,,ADFXKUOMJKEIND-UHFFFAOYSA-N,,,,,,,,,,,
100.017.474,219-220-5,2388-32-1,2-chloroquinoline-4-carbonyl chloride,2-chloroquinoline-4-carbonyl chloride,ClC(=O)c1cc(Cl)nc2ccccc12,ClC(=O)c1cc(Cl)nc2ccccc12,InChI=1/C10H5Cl2NO/c11-9-5-7(10(12)14)6-3-1-2-4-8(6)13-9/h1-5H,C10H5Cl2NO,,,,,,KTMXEEOPGLOPMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.478,219-224-7,2389-75-5,"4,11-dichloroquino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone","4,11-dichloroquino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone",Clc1cccc2C(=O)C3=C(Nc12)C(=O)C4=C(Nc5c(Cl)cccc5C4=O)C3=O,Clc1cccc2C(=O)C3=C(Nc12)C(=O)C4=C(Nc5c(Cl)cccc5C4=O)C3=O,"InChI=1/C20H8Cl2N2O4/c21-9-5-1-3-7-13(9)23-15-11(17(7)25)19(27)16-12(20(15)28)18(26)8-4-2-6-10(22)14(8)24-16/h1-6H,(H,23,25)(H,24,26)",C20H8Cl2N2O4,,,,,,QNOGVEMFYBHBED-UHFFFAOYSA-N,,,,,,,,,,,
100.017.479,219-225-2,2389-86-8,N2-acetyl-D-arginine,N~2~-acetyl-D-arginine,CC(=O)N[C@H](CCCNC(=N)N)C(=O)O,CC(=O)N[C@H](CCCNC(=N)N)C(=O)O,"InChI=1/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)",C8H16N4O3,,,,,,SNEIUMQYRCDYCH-ZCFIWIBFSA-N,,,,,,,,,,,
100.017.493,219-240-4,2391-78-8,Triethylammonium diethyldithiocarbamate,"N,N-diethylethanaminium diethyldithiocarbamate",CCN(CC)C(=S)[S-].CC[NH+](CC)CC,CCN(CC)C(=S)[S-].CC[NH+](CC)CC,"InChI=1/C6H15N.C5H11NS2/c1-4-7(5-2)6-3;1-3-6(4-2)5(7)8/h4-6H2,1-3H3;3-4H2,1-2H3,(H,7,8)",C6H15N.C5H11NS2,,,,,,FMXKDAXGTICXRP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.494,219-242-5,2391-80-2,Dibutylammonium dibutyldithiocarbamate,N-butylbutan-1-aminium dibutyldithiocarbamate,CCCC[NH2+]CCCC.CCCCN(CCCC)C(=S)[S-],CCCC[NH2+]CCCC.CCCCN(CCCC)C(=S)[S-],"InChI=1/C9H19NS2.C8H19N/c1-3-5-7-10(9(11)12)8-6-4-2;1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3,(H,11,12);9H,3-8H2,1-2H3",C9H19NS2.C8H19N,,,,,,YPQOCKOIFRNBQW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.001,220-900-9,2930-80-5,3-ß-iodocholest-5-ene,3-iodocholest-5-ene,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](I)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](I)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H45I/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3",C27H45I,,,,,,PMVJGSYGUZXDAR-DPAQBDIFSA-N,,,,,,,,,,,
100.019.003,220-903-5,2932-65-2,1-(4-propylphenyl)ethan-1-one,1-(4-propylphenyl)ethanone,CCCc1ccc(cc1)C(=O)C,CCCc1ccc(cc1)C(=O)C,"InChI=1/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3",C11H14O,,,,,,ZNBVIYMIVFKTIW-UHFFFAOYSA-N,,,,,,,,,,,
100.019.007,220-907-7,8/07/2934,"2,4,6-triisopropylphenol","2,4,6-triisopropylphenol",CC(C)c1cc(C(C)C)c(O)c(c1)C(C)C,CC(C)c1cc(C(C)C)c(O)c(c1)C(C)C,"InChI=1/C15H24O/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11,16H,1-6H3",C15H24O,,,,,,HVFKKINZIWVNQG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.013,218-713-2,2217-41-6,"5,6,7,8-tetrahydro-1-naphthylamine","5,6,7,8-tetrahydronaphthalen-1-amine",Nc1cccc2CCCCc12,Nc1cccc2CCCCc12,"InChI=1/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2",C10H13N,,,,,,SODWJACROGQSMM-UHFFFAOYSA-N,,,,,,,,,,,
100.017.015,218-715-3,2217-44-9,Iodophthalein sodium,"disodium 2-[(3,5-diiodo-4-oxidophenyl)(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate",[Na+].[Na+].[O-]C(=O)c1ccccc1C(=C2C=C(I)C(=O)C(=C2)I)c3cc(I)c([O-])c(I)c3,[Na+].[Na+].[O-]C(=O)c1ccccc1C(=C2C=C(I)C(=O)C(=C2)I)c3cc(I)c([O-])c(I)c3,"InChI=1/C20H10I4O4.2Na/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28;;/h1-8,25H,(H,27,28);;/q;2*+1/p-2",C20H10I4O4.2Na,,,,,,CWHBCTLVWOCMPQ-UHFFFAOYSA-L,,,,,,,,,,,
100.040.558,244-630-6,21884-26-4,Isopropyl 4-oxovalerate,isopropyl 4-oxopentanoate,CC(C)OC(=O)CCC(=O)C,CC(C)OC(=O)CCC(=O)C,"InChI=1/C8H14O3/c1-6(2)11-8(10)5-4-7(3)9/h6H,4-5H2,1-3H3",C8H14O3,,,,,,MGJRGGIHFUREHT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.560,244-632-7,21886-86-2,"Sodium 3,5-dibromo-4-hydroxybenzenesulphonate","sodium 3,5-dibromo-4-hydroxybenzenesulfonate",[Na+].Oc1c(Br)cc(cc1Br)S(=O)(=O)[O-],[Na+].Oc1c(Br)cc(cc1Br)S(=O)(=O)[O-],"InChI=1/C6H4Br2O4S.Na/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h1-2,9H,(H,10,11,12);/q;+1/p-1",C6H4Br2O4S.Na,,,,,,PBAQEHZYPFSMER-UHFFFAOYSA-M,,,,,,,,,,,
100.040.561,244-633-2,21888-96-0,"(S)-3-phenyl-1'-(phenylmethyl)[3,4'-bipiperidine]-2,6-dione monohydrochloride","1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione hydrochloride",Cl.O=C1CC[C@@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c4ccccc4,Cl.O=C1CC[C@@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c4ccccc4,"InChI=1/C23H26N2O2.ClH/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2,(H,24,26,27);1H",C23H26N2O2.ClH,,,,,,XSOOSXRNMDUWEM-GNAFDRTKSA-N,,,,,,,,,,,
100.040.562,244-634-8,21889-25-8,4-[(3-chlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide,4-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide,Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)ccc4,Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)ccc4,"InChI=1/C24H18ClN3O2/c1-15-7-2-5-12-21(15)26-24(30)20-13-16-8-3-4-11-19(16)22(23(20)29)28-27-18-10-6-9-17(25)14-18/h2-14,29H,1H3,(H,26,30)",C24H18ClN3O2,,,,,,ZAYYISZICSFJBO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.568,244-641-6,21896-59-3,N-(2-chloroethyl)methanesulphonamide,N-(2-chloroethyl)methanesulfonamide,CS(=O)(=O)NCCCl,CS(=O)(=O)NCCCl,"InChI=1/C3H8ClNO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3",C3H8ClNO2S,,,,,,HLEGMLHPZDVLQL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.570,244-643-7,21898-19-1,"4-amino-a-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol monohydrochloride","1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride",Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H",C12H18Cl2N2O.ClH,,,,,,OPXKTCUYRHXSBK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.572,244-645-8,21898-59-9,1-methyl-1H-pyrrole-2-acetic acid,(1-methyl-1H-pyrrol-2-yl)acetic acid,Cn1cccc1CC(=O)O,Cn1cccc1CC(=O)O,"InChI=1/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10)",C7H9NO2,,,,,,SYYOUHJJSOLSJD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.574,244-647-9,21901-34-8,3-methyl-5-nitro-2-pyridone,3-methyl-5-nitropyridin-2(1H)-one,C\\C1=C\\C(=C/NC1=O)[N+]([O-])=O,C\C1=C\C(=C/NC1=O)[N+]([O-])=O,"InChI=1/C6H6N2O3/c1-4-2-5(8(10)11)3-7-6(4)9/h2-3H,1H3,(H,7,9)",C6H6N2O3,,,,,,FPTYZBDNBMVYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.575,244-648-4,21905-75-9,2-(3-methoxyphenoxy)benzoic acid,2-(3-methoxyphenoxy)benzoic acid,COc1cccc(Oc2ccccc2C(=O)O)c1,COc1cccc(Oc2ccccc2C(=O)O)c1,"InChI=1/C14H12O4/c1-17-10-5-4-6-11(9-10)18-13-8-3-2-7-12(13)14(15)16/h2-9H,1H3,(H,15,16)",C14H12O4,,,,,,SYHDRSQBOSNTHM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.578,244-652-6,21906-39-8,"1-(a,a,a-trifluoro-m-tolyl)acetone",1-[3-(trifluoromethyl)phenyl]acetone,CC(=O)Cc1cccc(c1)C(F)(F)F,CC(=O)Cc1cccc(c1)C(F)(F)F,"InChI=1/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3",C10H9F3O,,,,,,JPHQCDCEBDRIOL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.579,244-653-1,21906-90-1,4-(diethylamino)benzenediazonium,4-(diethylamino)benzenediazonium,CCN(CC)c1ccc(cc1)[N+]#N,CCN(CC)c1ccc(cc1)[N+]#N,"InChI=1/C10H14N3/c1-3-13(4-2)10-7-5-9(12-11)6-8-10/h5-8H,3-4H2,1-2H3/q+1",C10H14N3,,,,,,RGCITEKHKXPDDH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.584,244-658-9,21915-33-3,9-ethylbicyclo[3.3.1]nonan-9-ol,9-ethylbicyclo[3.3.1]nonan-9-ol,CCC1(O)C2CCCC1CCC2,CCC1(O)C2CCCC1CCC2,"InChI=1/C11H20O/c1-2-11(12)9-5-3-6-10(11)8-4-7-9/h9-10,12H,2-8H2,1H3",C11H20O,,,,,,COQRKPRIDRDOOG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.588,244-663-6,21923-23-9,Chlorthiophos,"O-[2,3-dichloro-4-(methylsulfanyl)phenyl] O,O-dimethyl thiophosphate",COP(=S)(OC)Oc1ccc(SC)c(Cl)c1Cl,COP(=S)(OC)Oc1ccc(SC)c(Cl)c1Cl,"InChI=1/C9H11Cl2O3PS2/c1-12-15(16,13-2)14-6-4-5-7(17-3)9(11)8(6)10/h4-5H,1-3H3",C11H15Cl2O3PS2,,,,,,MFWXJMYTLAUFHO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.589,244-664-1,21928-40-5,Ethyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate,ethyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate,CCOC(=O)N1CCC(O)(CC1)c2ccc(Cl)c(c2)C(F)(F)F,CCOC(=O)N1CCC(O)(CC1)c2ccc(Cl)c(c2)C(F)(F)F,"InChI=1/C15H17ClF3NO3/c1-2-23-13(21)20-7-5-14(22,6-8-20)10-3-4-12(16)11(9-10)15(17,18)19/h3-4,9,22H,2,5-8H2,1H3",C15H17ClF3NO3,,,,,,FZKYRYDPWDERJV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.593,244-668-3,21937-57-5,1-benzyl-4-chloropiperidinium chloride,1-benzyl-4-chloropiperidinium chloride,[Cl-].ClC1CC[NH+](Cc2ccccc2)CC1,[Cl-].ClC1CC[NH+](Cc2ccccc2)CC1,"InChI=1/C12H16ClN.ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;/h1-5,12H,6-10H2;1H",C12H16ClN.ClH,,,,,,OHKKMIMUBHLTNF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.438,222-480-2,3488-51-5,3-methyl-4-(4-isopropylphenyl)butan-2-one,4-(4-isopropylphenyl)-3-methylbutan-2-one,CC(C)c1ccc(CC(C)C(=O)C)cc1,CC(C)c1ccc(CC(C)C(=O)C)cc1,"InChI=1/C14H20O/c1-10(2)14-7-5-13(6-8-14)9-11(3)12(4)15/h5-8,10-11H,9H2,1-4H3",C14H20O,,,,,,LJIOIEYRNGRXQS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.441,222-483-9,3490-06-0,"3,4-dimethoxy-N-methylphenethylamine","2-(3,4-dimethoxyphenyl)-N-methylethanamine",CNCCc1ccc(OC)c(OC)c1,CNCCc1ccc(OC)c(OC)c1,"InChI=1/C11H17NO2/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3/h4-5,8,12H,6-7H2,1-3H3",C11H17NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6861,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.441,HNJWKRMESUMDQE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.450,222-493-3,5/11/3496,"Benzyl (S)-[1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-methylpropyl]carbamate","2,5-dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]-L-valinate",CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,"InChI=1/C17H20N2O6/c1-11(2)15(16(22)25-19-13(20)8-9-14(19)21)18-17(23)24-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,18,23)",C17H20N2O6,,,,,,MFAOBGXYLNLLJE-HNNXBMFYSA-N,,,,,,,,,,,
100.020.452,222-495-4,1/06/3497,[(decyloxy)methyl]oxirane,2-[(decyloxy)methyl]oxirane,CCCCCCCCCCOCC1CO1,CCCCCCCCCCOCC1CO1,"InChI=1/C13H26O2/c1-2-3-4-5-6-7-8-9-10-14-11-13-12-15-13/h13H,2-12H2,1H3",C13H26O2,,,,,,NPKKFQUHBHQTSH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.458,222-503-6,3506-84-1,4-(1-naphthyl)butan-2-one,4-(1-naphthyl)butan-2-one,CC(=O)CCc1cccc2ccccc12,CC(=O)CCc1cccc2ccccc12,"InChI=1/C14H14O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10H2,1H3",C14H14O,,,,,,VEYCCHNUJNXSRR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.466,222-512-5,3511-16-8,Hetacillin,"6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](N3C(=O)C(NC3(C)C)c4ccccc4)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N3C(=O)C(NC3(C)C)c4ccccc4)C(=O)N2[C@H]1C(=O)O,"InChI=1/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)",C19H23N3O4S,,,,,,DXVUYOAEDJXBPY-XQERAMJGSA-N,,,,,,,,,,,
100.020.469,222-515-1,3512-80-9,"2,6-dimethylpyridin-4-amine","2,6-dimethylpyridin-4-amine",Cc1cc(N)cc(C)n1,Cc1cc(N)cc(C)n1,"InChI=1/C7H10N2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3,(H2,8,9)",C7H10N2,,,,,,ZJXMKPARTVOUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.472,222-518-8,3515-93-3,3-formylpropiononitrile,4-oxobutanenitrile,O=CCCC#N,O=CCCC#N,"InChI=1/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2",C4H5NO,,,,,,CGFGIKNLZTZJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.473,222-519-3,3515-94-4,"2-pentyl-1,3-dioxolane","2-pentyl-1,3-dioxolane",CCCCCC1OCCO1,CCCCCC1OCCO1,"InChI=1/C8H16O2/c1-2-3-4-5-8-9-6-7-10-8/h8H,2-7H2,1H3",C8H16O2,,,,,,GXLCAMYCQRAOMY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.020,222-021-6,3319-54-8,"1,4-dihydroxy-2-[(2-hydroxyethyl)thio]anthraquinone","1,4-dihydroxy-2-[(2-hydroxyethyl)sulfanyl]-9,10-anthraquinone",OCCSc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,OCCSc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C16H12O5S/c17-5-6-22-11-7-10(18)12-13(16(11)21)15(20)9-4-2-1-3-8(9)14(12)19/h1-4,7,17-18,21H,5-6H2",C16H12O5S,,,,,,MEPIQIDDESKQAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.024,222-025-8,3320-87-4,m-nitrophenyl isocyanate,1-isocyanato-3-nitrobenzene,[O-][N+](=O)c1cccc(c1)N=C=O,[O-][N+](=O)c1cccc(c1)N=C=O,InChI=1/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H,C7H4N2O3,,,,,,GFFGYTMCNVMFAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.029,222-031-0,3321-49-1,"4-[(2-chloro-4,6-dinitrophenyl)azo]naphthalen-1-amine","4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-amine",Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(N)c1ccccc12)[N+]([O-])=O,Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(N)c1ccccc12)[N+]([O-])=O,"InChI=1/C16H10ClN5O4/c17-12-7-9(21(23)24)8-15(22(25)26)16(12)20-19-14-6-5-13(18)10-3-1-2-4-11(10)14/h1-8H,18H2",C16H10ClN5O4,,,,,,HTTZEKZZLKWRNB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.030,222-032-6,3321-50-4,"1,2-dicyclohexylethane","1,1'-ethane-1,2-diyldicyclohexane",C(CC1CCCCC1)C2CCCCC2,C(CC1CCCCC1)C2CCCCC2,"InChI=1/C14H26/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h13-14H,1-12H2",C14H26,,,,,,IBLVSWYGUFGDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.035,222-037-3,3323-53-3,"Adipic acid, compound with hexane-1,6-diamine (1:1)","hexanedioic acid - hexane-1,6-diamine (1:1)",NCCCCCCN.OC(=O)CCCCC(=O)O,NCCCCCCN.OC(=O)CCCCC(=O)O,"InChI=1/C6H16N2.C6H10O4/c7-5-3-1-2-4-6-8;7-5(8)3-1-2-4-6(9)10/h1-8H2;1-4H2,(H,7,8)(H,9,10)",C6H16N2.C6H10O4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14314,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.035,UFFRSDWQMJYQNE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.037,222-039-4,3324-71-8,"N,N'-dimethylguanidine","1,3-dimethylguanidine",CNC(=N)NC,CNC(=N)NC,"InChI=1/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)",C3H9N3,,,,,,LINDOXZENKYESA-UHFFFAOYSA-N,,,,,,,,,,,
100.019.888,221-876-2,3264-92-4,"6ß-fluoro-3ß,5a,17-trihydroxy-16a-methylpregnan-20-one","6-fluoro-3,5,17-trihydroxy-16-methylpregnan-20-one",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C,"InChI=1/C22H35FO4/c1-12-9-17-15-10-18(23)21(26)11-14(25)5-7-19(21,3)16(15)6-8-20(17,4)22(12,27)13(2)24/h12,14-18,25-27H,5-11H2,1-4H3",C22H35FO4,,,,,,UOHQEFKIKABMNS-WSKNCWGTSA-N,,,,,,,,,,,
100.017.349,219-083-1,2351-13-5,"1,3-bis(bromomethyl)-1,1,3,3-tetramethyldisiloxane","1,3-bis(bromomethyl)-1,1,3,3-tetramethyldisiloxane",C[Si](C)(CBr)O[Si](C)(C)CBr,C[Si](C)(CBr)O[Si](C)(C)CBr,"InChI=1/C6H16Br2OSi2/c1-10(2,5-7)9-11(3,4)6-8/h5-6H2,1-4H3",C6H16Br2OSi2,,,,,,UPKHMNVQWIFQBW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.352,219-086-8,2351-89-5,Ethyl 5-methylhex-2-enoate,ethyl 5-methylhex-2-enoate,CCOC(=O)C=CCC(C)C,CCOC(=O)C=CCC(C)C,"InChI=1/C9H16O2/c1-4-11-9(10)7-5-6-8(2)3/h5,7-8H,4,6H2,1-3H3",C9H16O2,,,,,,XBRGZVMBYLXWTE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.354,219-088-9,2352-88-7,2-[[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]carbonyl]benzoic acid,2-{bis[2-(stearoylamino)ethyl]carbamoyl}benzoic acid,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C(=O)O,"InChI=1/C48H85N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-45(52)49-39-41-51(47(54)43-35-33-34-36-44(43)48(55)56)42-40-50-46(53)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32,37-42H2,1-2H3,(H,49,52)(H,50,53)(H,55,56)",C48H85N3O5,,,,,,CJMFXGGZYSIPRT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.357,219-092-0,2353-58-4,"6ß-fluoro-3ß,5a,17,21-tetrahydroxy-16a-methylpregnan-20-one 21-acetate","6-fluoro-3,5,17-trihydroxy-16-methyl-20-oxopregnan-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H37FO6/c1-13-9-18-16-10-19(25)23(29)11-15(27)5-7-21(23,3)17(16)6-8-22(18,4)24(13,30)20(28)12-31-14(2)26/h13,15-19,27,29-30H,5-12H2,1-4H3",C24H37FO6,,,,,,KQTAJQABUFCAQB-HRXZAKAYSA-N,,,,,,,,,,,
100.017.358,219-093-6,2355-59-1,Drocinonide,"4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethylhexadecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1/C24H35FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h13,15-17,19,26,28H,5-12H2,1-4H3",C24H35FO6,,,,,,GZBONOYGBJSTHF-QLRNAMTQSA-N,,,,,,,,,,,
100.017.360,219-095-7,2357-47-3,"a,a,a,4-tetrafluoro-m-toluidine",4-fluoro-3-(trifluoromethyl)aniline,Nc1ccc(F)c(c1)C(F)(F)F,Nc1ccc(F)c(c1)C(F)(F)F,"InChI=1/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2",C7H5F4N,,,,,,PGFQDLOMDIBAPY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.364,219-099-9,2358-84-1,"Oxydi-2,1-ethanediyl bismethacrylate","oxydiethane-2,1-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCOCCOC(=O)C(=C)C,CC(=C)C(=O)OCCOCCOC(=O)C(=C)C,"InChI=1/C12H18O5/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4/h1,3,5-8H2,2,4H3",C12H18O5,,,,,,XFCMNSHQOZQILR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.365,219-100-2,3/09/2359,5-tert-butylisophthalic acid,5-tert-butylisophthalic acid,CC(C)(C)c1cc(cc(c1)C(=O)O)C(=O)O,CC(C)(C)c1cc(cc(c1)C(=O)O)C(=O)O,"InChI=1/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)",C12H14O4,,,,,,BJLUCDZIWWSFIB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.366,219-101-8,7/11/2359,1-oxa-4-azaspiro[4.5]decan-4-ethanol,2-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanol,OCCN1CCOC12CCCCC2,OCCN1CCOC12CCCCC2,"InChI=1/C10H19NO2/c12-8-6-11-7-9-13-10(11)4-2-1-3-5-10/h12H,1-9H2",C10H19NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16434,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.366,DLCNHYLWGIBPPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.372,219-108-6,2361-96-8,Ethyl N-acetyl-3-phenyl-L-alaninate,ethyl N-acetyl-L-phenylalaninate,CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C,CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C,"InChI=1/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)",C13H17NO3,,,,,,YIVZYFDBEPMPNL-LBPRGKRZSA-N,,,,,,,,,,,
100.018.876,220-763-5,2892-61-7,"Butyl 2,3,4,4-tetrachloro-3-butenoate","butyl 2,3,4,4-tetrachlorobut-3-enoate",CCCCOC(=O)C(Cl)C(=C(Cl)Cl)Cl,CCCCOC(=O)C(Cl)C(=C(Cl)Cl)Cl,"InChI=1/C8H10Cl4O2/c1-2-3-4-14-8(13)6(10)5(9)7(11)12/h6H,2-4H2,1H3",C8H10Cl4O2,,,,,,ABQQFYPRVNNXNU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.877,220-764-0,2892-89-9,Titanium tetra(phenolate),titanium tetra(phenolate),[Ti+2].[Ti+2].[O-]c1ccccc1.[O-]c2ccccc2.[O-]c3ccccc3.[O-]c4ccccc4,[Ti+2].[Ti+2].[O-]c1ccccc1.[O-]c2ccccc2.[O-]c3ccccc3.[O-]c4ccccc4,"InChI=1/4C6H6O.2Ti/c4*7-6-4-2-1-3-5-6;;/h4*1-5,7H;;/q;;;;2*+2/p-4",C6H6O.1/4Ti,,,,,,YHEDGOCEZQESQT-UHFFFAOYSA-J,,,,,,,,,,,
100.018.881,220-768-2,2893-80-3,"Disodium 5-[[4'-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-{[4'-({2,4-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)biphenyl-4-yl]diazenyl}-2-hydroxybenzoate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc3ccc(cc3)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)cc5,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc3ccc(cc3)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)cc5,"InChI=1/C31H22N6O8S.2Na/c38-27-15-11-23(17-25(27)31(41)42)35-32-20-5-1-18(2-6-20)19-3-7-21(8-4-19)33-36-26-14-16-28(39)29(30(26)40)37-34-22-9-12-24(13-10-22)46(43,44)45;;/h1-17,38-40H,(H,41,42)(H,43,44,45);;/q;2*+1/p-2",C31H22N6O8S.2Na,,,,,,BNANBFLJWROFPW-UHFFFAOYSA-L,,,,,,,,,,,
100.017.017,218-717-4,2217-82-5,"Sodium [1,1'-biphenyl]-4-sulphonate",sodium biphenyl-4-sulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2ccccc2,[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C12H10O3S.Na/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,15);/q;+1/p-1",C12H10O3S.Na,,,,,,HZHAYUNJXPYUHH-UHFFFAOYSA-M,,,,,,,,,,,
100.017.021,218-722-1,2218-68-0,Cloral betaine,"(trimethylammonio)acetate - 2,2,2-trichloroethane-1,1-diol (1:1)",C[N+](C)(C)CC(=O)[O-].OC(O)C(Cl)(Cl)Cl,C[N+](C)(C)CC(=O)[O-].OC(O)C(Cl)(Cl)Cl,"InChI=1/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H",C5H11NO2.C2H3Cl3O2,,,,,,ONAOIDNSINNZOA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.033,218-735-2,2219-84-3,"4-(1,1,3,3-tetramethylbutyl)-o-cresol","2-methyl-4-(1,1,3,3-tetramethylbutyl)phenol",Cc1cc(ccc1O)C(C)(C)CC(C)(C)C,Cc1cc(ccc1O)C(C)(C)CC(C)(C)C,"InChI=1/C15H24O/c1-11-9-12(7-8-13(11)16)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3",C15H24O,,,,,,DYKCNMUCTREDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.017.046,218-749-9,2224-49-9,"Lauric acid, compound with 2,2',2''-nitrilotriethanol (1:1)","dodecanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C12H24O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;8-4-1-7(2-5-9)3-6-10/h2-11H2,1H3,(H,13,14);8-10H,1-6H2",C12H24O2.C6H15NO3,,,,,,WLMZUANPXHJWCH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.047,218-750-4,2224-52-4,"(S)-4-methyloxazolidine-2,5-dione","4-methyl-1,3-oxazolidine-2,5-dione",C[C@@H]1NC(=O)OC1=O,C[C@@H]1NC(=O)OC1=O,"InChI=1/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)",C4H5NO3,,,,,,DTETYCNJKAUROO-REOHCLBHSA-N,,,,,,,,,,,
100.017.049,218-753-0,2225-98-1,"3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane","3,8,8-trimethyl-4-oxatricyclo[5.1.0.0~3,5~]octane",CC1(C)C2CC3OC3(C)CC12,CC1(C)C2CC3OC3(C)CC12,"InChI=1/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,AGHSZSJVJPSERC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.052,218-756-7,6/08/2226,"2-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethanol","2-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethanol",CC1(C)C2CCC(C2)C1CCO,CC1(C)C2CCC(C2)C1CCO,"InChI=1/C11H20O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10,12H,3-7H2,1-2H3",C11H20O,,,,,,DUINBOMGEZFPDK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.430,222-471-3,3485-62-9,Clidinium bromide,3-[2-hydroxy(diphenyl)acetoxy]-1-methyl-1-azoniabicyclo[2.2.2]octane bromide,[Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4,[Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4,"InChI=1/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1",C22H26NO3.Br,,,,,,GKEGFOKQMZHVOW-UHFFFAOYSA-M,,,,,,,,,,,
100.020.433,222-475-5,6/08/3486,"1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)hexane","1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)hexane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C7F15I/c8-1(5(15,16)17,6(18,19)20)2(9,10)3(11,12)4(13,14)7(21,22)23",C7F15I,,,,,,OUFXTVSYOAPUKM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.447,222-490-7,3494-69-7,"2,2,4-trimethylpent-3-enyl isobutyrate","2,2,4-trimethylpent-3-en-1-yl 2-methylpropanoate",CC(C)C(=O)OCC(C)(C)C=C(C)C,CC(C)C(=O)OCC(C)(C)C=C(C)C,"InChI=1/C12H22O2/c1-9(2)7-12(5,6)8-14-11(13)10(3)4/h7,10H,8H2,1-6H3",C12H22O2,,,,,,SVFCYIJQNSHBGU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.448,222-491-2,3494-76-6,"2,4-diisopropyl-5,5-dimethyl-1,3-dioxane","2,4-diisopropyl-5,5-dimethyl-1,3-dioxane",CC(C)C1OCC(C)(C)C(O1)C(C)C,CC(C)C1OCC(C)(C)C(O1)C(C)C,"InChI=1/C12H24O2/c1-8(2)10-12(5,6)7-13-11(14-10)9(3)4/h8-11H,7H2,1-6H3",C12H24O2,,,,,,SVYIRYSQKUXBPY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.451,222-494-9,3497-00-5,Dichloro(phenyl)phosphine sulphide,phenylphosphonothioic dichloride,ClP(=S)(Cl)c1ccccc1,ClP(=S)(Cl)c1ccccc1,"InChI=1/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H",C6H5Cl2PS,,,,,,SXIWNIQDOJKDGB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.453,222-497-5,3504-13-0,Monoperoxysuccinic acid,4-hydroperoxy-4-oxobutanoic acid,OOC(=O)CCC(=O)O,OOC(=O)CCC(=O)O,"InChI=1/C4H6O5/c5-3(6)1-2-4(7)9-8/h8H,1-2H2,(H,5,6)",C4H6O5,,,,,,WBOQHFMXKCEWSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.460,222-505-7,3507-99-1,Silver(1+) stearate,silver(1+) stearate,[Ag+].CCCCCCCCCCCCCCCCCC(=O)[O-],[Ag+].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",C18H36O2.Ag,,,,,,ORYURPRSXLUCSS-UHFFFAOYSA-M,,,,,,,,,,,
100.020.463,222-508-3,3508-77-8,Ethyl 2-acetyl-2-allylpent-4-ene-1-oate,ethyl 2-acetyl-2-allylpent-4-enoate,CCOC(=O)C(CC=C)(CC=C)C(=O)C,CCOC(=O)C(CC=C)(CC=C)C(=O)C,"InChI=1/C12H18O3/c1-5-8-12(9-6-2,10(4)13)11(14)15-7-3/h5-6H,1-2,7-9H2,3-4H3",C12H18O3,,,,,,IOZNORWPBHWYBA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.025,222-026-3,3320-90-9,"2,5-diethoxytetrahydrofuran","2,5-diethoxytetrahydrofuran",CCOC1CCC(OCC)O1,CCOC1CCC(OCC)O1,"InChI=1/C8H16O3/c1-3-9-7-5-6-8(11-7)10-4-2/h7-8H,3-6H2,1-2H3",C8H16O3,,,,,,ZLKHNURELCONBB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.026,222-027-9,7/03/3321,N-glycyl-3-phenylalanine,glycylphenylalanine,NCC(=O)NC(Cc1ccccc1)C(=O)O,NCC(=O)NC(Cc1ccccc1)C(=O)O,"InChI=1/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)",C11H14N2O3,,,,,,JBCLFWXMTIKCCB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.595,244-670-4,21937-95-1,N-dodecylglycine hydrochloride,N-dodecylglycine hydrochloride,Cl.CCCCCCCCCCCCNCC(=O)O,Cl.CCCCCCCCCCCCNCC(=O)O,"InChI=1/C14H29NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17;/h15H,2-13H2,1H3,(H,16,17);1H",C14H29NO2.ClH,,,,,,HPYQMMRAJGWWHU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.599,244-675-1,21948-70-9,(methylthio)pyrazine,2-(methylsulfanyl)pyrazine,CSc1cnccn1,CSc1cnccn1,"InChI=1/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3",C5H6N2S,,,,,,KBPBOWBQRUXMFV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.136,248-565-4,27607-77-8,Trimethylsilyl trifluoromethanesulphonate,trimethylsilyl trifluoromethanesulfonate,C[Si](C)(C)OS(=O)(=O)C(F)(F)F,C[Si](C)(C)OS(=O)(=O)C(F)(F)F,"InChI=1/C4H9F3O3SSi/c1-12(2,3)10-11(8,9)4(5,6)7/h1-3H3",C4H9F3O3SSi,,,,,,FTVLMFQEYACZNP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.137,248-567-5,27608-01-1,4-methyloctan-2-one-octyl,4-methyloctan-2-one,CCCCC(C)CC(=O)C,CCCCC(C)CC(=O)C,"InChI=1/C9H18O/c1-4-5-6-8(2)7-9(3)10/h8H,4-7H2,1-3H3",C9H18O,,,,,,YLMJOCWAOWDKBL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.139,248-569-6,27610-14-6,"3-amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol","3-amino-6-chloro-4-phenyl-3,4-dihydroquinazolin-4-ol",NN1C=Nc2ccc(Cl)cc2C1(O)c3ccccc3,NN1C=Nc2ccc(Cl)cc2C1(O)c3ccccc3,"InChI=1/C14H12ClN3O/c15-11-6-7-13-12(8-11)14(19,18(16)9-17-13)10-4-2-1-3-5-10/h1-9,19H,16H2",C14H12ClN3O,,,,,,ZAXFFQSOWYVGER-UHFFFAOYSA-N,,,,,,,,,,,
100.044.147,248-578-5,27619-90-5,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanesulphonyl chloride","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,"InChI=1/C10H4ClF17O2S/c11-31(29,30)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1-2H2",C10H4ClF17O2S,,,,,,BXLIWKCKMHDVHE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.148,248-579-0,27619-91-6,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulphonyl chloride","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,"InChI=1/C12H4ClF21O2S/c13-37(35,36)2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1-2H2",C12H4ClF21O2S,,,,,,WYMPCOCJUKZUBF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.150,248-581-1,27625-35-0,3-methylbutyl 2-methylbutyrate,3-methylbutyl 2-methylbutanoate,CCC(C)C(=O)OCCC(C)C,CCC(C)C(=O)OCCC(C)C,"InChI=1/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,VGIRHYHLQKDEPP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.151,248-582-7,27634-89-5,p-cyclohexylbenzaldehyde,4-cyclohexylbenzaldehyde,O=Cc1ccc(cc1)C2CCCCC2,O=Cc1ccc(cc1)C2CCCCC2,"InChI=1/C13H16O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-10,12H,1-5H2",C13H16O,,,,,,KUHNCPCUPOPMDY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.153,248-584-8,27636-85-7,Heptafluoroiodopropane,"1,1,1,2,2,3,3-heptafluoro-3-iodopropane",FC(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C3F7I/c4-1(5,2(6,7)8)3(9,10)11",C3F7I,,,,,,XTGYEAXBNRVNQU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.160,248-592-1,27652-89-7,a-(4-chlorophenyl)pyridine-2-methanol,(4-chlorophenyl)(pyridin-2-yl)methanol,OC(c1ccc(Cl)cc1)c2ccccn2,OC(c1ccc(Cl)cc1)c2ccccn2,"InChI=1/C12H10ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8,12,15H",C12H10ClNO,,,,,,ZFUPOFQRQNJDNS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.161,248-593-7,27653-63-0,"5-ethyl-5-methyl-1H,3H,5H-pyrimidin-2,4,6-trione","5-ethyl-5-methylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(C)C(=O)NC(=O)NC1=O,CCC1(C)C(=O)NC(=O)NC1=O,"InChI=1/C7H10N2O3/c1-3-7(2)4(10)8-6(12)9-5(7)11/h3H2,1-2H3,(H2,8,9,10,11,12)",C7H10N2O3,,,,,,RCFRTWDBBMGLGK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.168,248-601-9,27683-60-9,2-chloro-a-(dichloromethyl)benzyl alcohol,"2,2-dichloro-1-(2-chlorophenyl)ethanol",OC(C(Cl)Cl)c1ccccc1Cl,OC(C(Cl)Cl)c1ccccc1Cl,"InChI=1/C8H7Cl3O/c9-6-4-2-1-3-5(6)7(12)8(10)11/h1-4,7-8,12H",C8H7Cl3O,,,,,,AYYZONLKSDKVIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.176,248-610-8,27692-59-7,"3,4,5,6-tetrachloro-N-[2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)-8-quinolyl]phthalimide","4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)quinolin-8-yl]-1H-isoindole-1,3(2H)-dione",OC1=C(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c12)c3ccc4cccc(N5C(=O)c6c(Cl)c(Cl)c(Cl)c(Cl)c6C5=O)c4n3,OC1=C(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c12)c3ccc4cccc(N5C(=O)c6c(Cl)c(Cl)c(Cl)c(Cl)c6C5=O)c4n3,"InChI=1/C26H6Cl8N2O4/c27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29/h1-5,37H",C26H6Cl8N2O4,,,,,,VFBUXDPFFMEKKG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.878,244-983-6,22418-71-9,"2,3,7-trimethyloctanal","2,3,7-trimethyloctanal",CC(C)CCCC(C)C(C)C=O,CC(C)CCCC(C)C(C)C=O,"InChI=1/C11H22O/c1-9(2)6-5-7-10(3)11(4)8-12/h8-11H,5-7H2,1-4H3",C11H22O,,,,,,CFZMTTLRDHWQHA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.891,244-997-2,22438-39-7,Decyl methyl sulphide,1-(methylsulfanyl)decane,CCCCCCCCCCSC,CCCCCCCCCCSC,"InChI=1/C11H24S/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3",C11H24S,,,,,,HKGUUZAACYBIID-UHFFFAOYSA-N,,,,,,,,,,,
100.020.038,222-041-5,8/10/3325,"Hydrogen 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-1-ethyl-3-(3-sulphonatobutyl)-1H-benzimidazolium","hydrogen 4-(5,6-dichloro-2-{3-[5,6-dichloro-1-ethyl-3-(3-sulfonatobutyl)-2,3-dihydro-1H-3,1-benzimidazol-1-ium-2-yl]prop-2-en-1-ylidene}-3-ethyl-2,3-dihydro-1H-benzimidazol-1-yl)butane-2-sulfonate",[H+].[O-]S(=O)(=O)C(C)CCN3c4cc(Cl)c(Cl)cc4[NH+](CC)C3C=CC=C2N(CC)c1cc(Cl)c(Cl)cc1N2CCC(C)S([O-])(=O)=O,[H+].[O-]S(=O)(=O)C(C)CCN3c4cc(Cl)c(Cl)cc4[NH+](CC)C3C=CC=C2N(CC)c1cc(Cl)c(Cl)cc1N2CCC(C)S([O-])(=O)=O,"InChI=1/C29H36Cl4N4O6S2.H2/c1-5-34-24-14-20(30)22(32)16-26(24)36(12-10-18(3)44(38,39)40)28(34)8-7-9-29-35(6-2)25-15-21(31)23(33)17-27(25)37(29)13-11-19(4)45(41,42)43;/h7-9,14-19,28H,5-6,10-13H2,1-4H3,(H,38,39,40)(H,41,42,43);1H/q;+1/p-1",C29H34Cl4N4O6S2,,,,,,DWWWPNIYXMBXIY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.042,222-045-7,3326-64-5,(2S-trans)-4-hydroxy-N-2-naphthylpyrrolidine-2-carboxamide,N-(4-hydroxy-2-naphthyl)prolinamide,Oc1cc(NC(=O)C2CCCN2)cc3ccccc13,Oc1cc(NC(=O)C2CCCN2)cc3ccccc13,"InChI=1/C15H16N2O2/c18-14-9-11(8-10-4-1-2-5-12(10)14)17-15(19)13-6-3-7-16-13/h1-2,4-5,8-9,13,16,18H,3,6-7H2,(H,17,19)",C15H16N2O2,,,,,,KMQNGXDZQAILQD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.045,222-048-3,3327-22-8,(3-chloro-2-hydroxypropyl)trimethylammonium chloride,"3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)CC(O)CCl,[Cl-].C[N+](C)(C)CC(O)CCl,"InChI=1/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1",C6H15ClNO.Cl,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8186,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.045,CSPHGSFZFWKVDL-UHFFFAOYSA-M,,,,,,,,,,,
100.020.054,222-058-8,3331-71-3,"11ß,17-dihydroxypregna-1,4-diene-3,20-dione 21-[(6-carboxycyclohex-3-en-1-yl)formate]","6-{[(11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}cyclohex-3-ene-1-carboxylic acid",CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)C5CC=CCC5C(=O)O,CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)C5CC=CCC5C(=O)O,"InChI=1/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)",C29H36O8,,,,,,VNGWBSXDGQZSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.064,222-069-8,3335-33-9,"a,a,a-trichloro-o-xylene",1-methyl-2-(trichloromethyl)benzene,Cc1ccccc1C(Cl)(Cl)Cl,Cc1ccccc1C(Cl)(Cl)Cl,"InChI=1/C8H7Cl3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3",C8H7Cl3,,,,,,CBXDCGQZMAUIHD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.837,244-938-0,22366-99-0,1-[(3-aminopropyl)amino]-4-(methylamino)anthraquinone,"1-[(3-aminopropyl)amino]-4-(methylamino)-9,10-anthraquinone",CNc1ccc(NCCCN)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(NCCCN)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H19N3O2/c1-20-13-7-8-14(21-10-4-9-19)16-15(13)17(22)11-5-2-3-6-12(11)18(16)23/h2-3,5-8,20-21H,4,9-10,19H2,1H3",C18H19N3O2,,,,,,MLDHMLJPHZYBDV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.839,244-940-1,22373-09-7,Calcium di-D-arabinonate,pentonic acid,OCC(O)C(O)C(O)C(=O)O,OCC(O)C(O)C(O)C(=O)O,"InChI=1/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)",C5H10O6.1/2Ca,,,,,,QXKAIJAYHKCRRA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.846,244-948-5,22384-24-3,"1-cyclohexyl-5,5-diethylbarbituric acid","1-cyclohexyl-5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(CC)C(=O)NC(=O)N(C2CCCCC2)C1=O,CCC1(CC)C(=O)NC(=O)N(C2CCCCC2)C1=O,"InChI=1/C14H22N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,15,17,19)",C14H22N2O3,,,,,,MWUFANQZMIAZHV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.847,244-949-0,22393-85-7,Tetradecyl oleate,tetradecyl octadec-9-enoate,CCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18H,3-16,19-31H2,1-2H3",C32H62O2,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15703,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.847,DHZWALZKPWZSMA-ZCXUNETKSA-N,,,,,,,,,,,
100.040.851,244-953-2,22397-29-1,3-[2-(dimethylamino)ethoxy]propiononitrile,3-[2-(dimethylamino)ethoxy]propanenitrile,CN(C)CCOCCC#N,CN(C)CCOCCC#N,"InChI=1/C7H14N2O/c1-9(2)5-7-10-6-3-4-8/h3,5-7H2,1-2H3",C7H14N2O,,,,,,MNAXYNVBGBASIG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.859,244-962-1,22408-96-4,Diethyl [3-(triethoxysilyl)propyl]malonate,diethyl [3-(triethoxysilyl)propyl]malonate,CCOC(=O)C(CCC[Si](OCC)(OCC)OCC)C(=O)OCC,CCOC(=O)C(CCC[Si](OCC)(OCC)OCC)C(=O)OCC,"InChI=1/C16H32O7Si/c1-6-19-15(17)14(16(18)20-7-2)12-11-13-24(21-8-3,22-9-4)23-10-5/h14H,6-13H2,1-5H3",C16H32O7Si,,,,,,RKNYOHXRCRXQOS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.863,244-966-3,22412-97-1,Tetradecyl laurate,tetradecyl laurate,CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,"InChI=1/C26H52O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28-26(27)24-22-20-18-16-12-10-8-6-4-2/h3-25H2,1-2H3",C26H52O2,,,,,,FNMPODAQERUMDD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.865,244-968-4,22413-01-0,Icosyl palmitate,icosyl palmitate,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,"InChI=1/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",C36H72O2,,,,,,OMQAAHBXTQQRLA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.866,244-970-5,22413-02-1,Icosyl stearate,icosyl stearate,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C38H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3",C38H76O2,,,,,,SOCXDNMHDNVKIL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.869,244-973-1,22414-70-6,"2-methylene-3,5,5-trimethylhexanal","3,5,5-trimethyl-2-methylenehexanal",CC(CC(C)(C)C)C(=C)C=O,CC(CC(C)(C)C)C(=C)C=O,"InChI=1/C10H18O/c1-8(9(2)7-11)6-10(3,4)5/h7-8H,2,6H2,1,3-5H3",C10H18O,,,,,,WKYDOWGZVLXESO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.892,220-780-8,2897-60-1,"[3-(2,3-epoxypropoxy)propyl]diethoxymethylsilane","[1,1-diethoxy-4-(oxiran-2-ylmethoxy)butyl]silane",CCOC([SiH3])(CCCOCC1CO1)OCC,CCOC([SiH3])(CCCOCC1CO1)OCC,"InChI=1/C11H24O4Si/c1-3-14-11(16,15-4-2)6-5-7-12-8-10-9-13-10/h10H,3-9H2,1-2,16H3",C11H24O4Si,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17529,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.892,WZUMIGFCQCDCTB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.893,220-781-3,2898-08-0,"1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one","5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",O=C1CN=C(c2ccccc2)c3ccccc3N1,O=C1CN=C(c2ccccc2)c3ccccc3N1,"InChI=1/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)",C15H12N2O,,,,,,IVUAAOBNUNMJQC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.894,220-782-9,5/11/2898,"7-chloro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepine monohydrochloride","7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine",CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13,CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3",C16H15ClN2.ClH,,,,,,YLCXGBZIZBEVPZ-UHFFFAOYSA-N,Positive,EQ302201|EQ302202|EQ302203|EQ302204|EQ302205|EQ302206,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,271.0997:242.0733:180.0449|271.0996:242.0731:180.0448|271.0996:91.0542:242.0731|91.0542:207.1043:271.0996|91.0542:207.1043:165.0214|91.0542:207.1043:165.0214,Eawag,,,,,
100.016.886,218-574-8,2186-24-5,[(p-tolyloxy)methyl]oxirane,2-[(4-methylphenoxy)methyl]oxirane,Cc1ccc(OCC2CO2)cc1,Cc1ccc(OCC2CO2)cc1,"InChI=1/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3",C10H12O2,,,,,,CUFXMPWHOWYNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.889,218-577-4,2186-92-7,p-(dimethoxymethyl)anisole,1-(dimethoxymethyl)-4-methoxybenzene,COC(OC)c1ccc(OC)cc1,COC(OC)c1ccc(OC)cc1,"InChI=1/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3",C10H14O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1858,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.889,NNHYAHOTXLASEA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.890,218-579-5,7/07/2187,2-aminooctanoic acid,2-aminooctanoic acid,CCCCCCC(N)C(=O)O,CCCCCCC(N)C(=O)O,"InChI=1/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)",C8H17NO2,,,,,,AKVBCGQVQXPRLD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.891,218-580-0,2188-18-3,"N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine",N~2~-(tert-butoxycarbonyl)-N~5~-(nitrocarbamimidoyl)-L-ornithine,CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O,CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O,"InChI=1/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)",C11H21N5O6,,,,,,OZSSOVRIEPAIMP-ZETCQYMHSA-N,,,,,,,,,,,
100.016.895,218-584-2,2190-27-4,1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl oleate,2-(palmitoyloxy)-1-[(stearoyloxy)methyl]ethyl octadec-9-enoate,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3",C55H104O6,,,,,,QXPXMOHHFYONAC-SGEDCAFJSA-N,,,,,,,,,,,
100.016.901,218-591-0,2193-87-5,Fluprednidene,"9-fluoro-11,17,21-trihydroxy-16-methylenepregna-1,4-diene-3,20-dione",C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(=C)[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(=C)[C@]2(O)C(=O)CO,"InChI=1/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3",C22H27FO5,,,,,,YVHXHNGGPURVOS-SBTDHBFYSA-N,,,,,,,,,,,
100.016.913,218-603-4,2198-75-6,"1,3-dichloronaphthalene","1,3-dichloronaphthalene",Clc1cc(Cl)c2ccccc2c1,Clc1cc(Cl)c2ccccc2c1,InChI=1/C10H6Cl2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H,C10H6Cl2,,,,,,AMCBMCWLCDERHY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.924,218-616-5,2206-26-0,[2H3]acetonitrile,acetonitrile,CC#N,CC#N,InChI=1/C2H3N/c1-2-3/h1H3,C2D3N,,,,,,WEVYAHXRMPXWCK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.925,218-617-0,2206-27-1,Di[(2H3)methyl] sulphoxide,dimethyl sulfoxide,CS(=O)C,CS(=O)C,InChI=1/C2H6OS/c1-4(2)3/h1-2H3,C2D6OS,,,,,,IAZDPXIOMUYVGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.311,222-341-6,3437-89-6,3-(phenylmethylene)pentan-2-one,3-benzylidenepentan-2-one,CC(=O)C(CC)=Cc1ccccc1,CC(=O)C(CC)=Cc1ccccc1,"InChI=1/C12H14O/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3",C12H14O,,,,,,QQKHASOJMBEMJE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.313,222-343-7,3438-16-2,5-chloro-o-anisic acid,5-chloro-2-methoxybenzoic acid,COc1ccc(Cl)cc1C(=O)O,COc1ccc(Cl)cc1C(=O)O,"InChI=1/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)",C8H7ClO3,,,,,,HULDRQRKKXRXBI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.321,222-352-6,3442-78-2,2-methylpyrene,2-methylpyrene,Cc1cc2ccc3cccc4ccc(c1)c2c34,Cc1cc2ccc3cccc4ccc(c1)c2c34,"InChI=1/C17H12/c1-11-9-14-7-5-12-3-2-4-13-6-8-15(10-11)17(14)16(12)13/h2-10H,1H3",C17H12,,,,,,VIRFPLJXRDHVEI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.330,222-362-0,3445-84-9,"3,3'-formyliminodipropiononitrile","N,N-bis(2-cyanoethyl)formamide",O=CN(CCC#N)CCC#N,O=CN(CCC#N)CCC#N,"InChI=1/C7H9N3O/c8-3-1-5-10(7-11)6-2-4-9/h7H,1-2,5-6H2",C7H9N3O,,,,,,MYRFNYCEQURXPT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.027,222-028-4,6/10/3321,"2,2'-[benzylidenebis[(2,5-dimethyl-4,1-phenylene)azo]]bis[p-cresol]","2,2'-{(phenylmethylene)bis[(2,5-dimethyl-4,1-phenylene)diazene-2,1-diyl]}bis(4-methylphenol)",Oc5ccc(C)cc5N=Nc1cc(C)c(cc1C)C(c2ccccc2)c4cc(C)c(N=Nc3cc(C)ccc3O)cc4C,Oc5ccc(C)cc5N=Nc1cc(C)c(cc1C)C(c2ccccc2)c4cc(C)c(N=Nc3cc(C)ccc3O)cc4C,"InChI=1/C37H36N4O2/c1-22-12-14-35(42)33(16-22)40-38-31-20-24(3)29(18-26(31)5)37(28-10-8-7-9-11-28)30-19-27(6)32(21-25(30)4)39-41-34-17-23(2)13-15-36(34)43/h7-21,37,42-43H,1-6H3",C37H36N4O2,,,,,,ZTGVOCXFTQXPGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.028,222-030-5,3321-13-9,"Trisodium 5-(acetylamino)-3-[(4-ethoxy-3-sulphonatophenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-acetamido-3-[(4-ethoxy-3-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].CCOc1ccc(cc1S([O-])(=O)=O)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].CCOc1ccc(cc1S([O-])(=O)=O)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C20H19N3O12S3.3Na/c1-3-35-15-5-4-12(8-16(15)37(29,30)31)22-23-19-17(38(32,33)34)7-11-6-13(36(26,27)28)9-14(21-10(2)24)18(11)20(19)25;;;/h4-9,25H,3H2,1-2H3,(H,21,24)(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3",C20H19N3O12S3.3Na,,,,,,HQVQGBXKAKQMBT-UHFFFAOYSA-K,,,,,,,,,,,
100.020.031,222-033-1,3321-80-0,1-methyl-3-piperidyl benzilate,1-methylpiperidin-3-yl hydroxy(diphenyl)acetate,CN1CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,CN1CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,"InChI=1/C20H23NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3",C20H23NO3,,,,,,ZBEILXWHVSVDBN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.048,222-052-5,3329-48-4,"3,5-dimethylhex-1-en-3-ol","3,5-dimethylhex-1-en-3-ol",CC(C)CC(C)(O)C=C,CC(C)CC(C)(O)C=C,"InChI=1/C8H16O/c1-5-8(4,9)6-7(2)3/h5,7,9H,1,6H2,2-4H3",C8H16O,,,,,,AOOGNPSUQVRFMF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.051,222-055-1,3331-46-2,"9,10-dihydrobenzo[a]pyren-7(8H)-one","9,10-dihydrobenzo[pqr]tetraphen-7(8H)-one",O=C1CCCc2c1cc3ccc4cccc5ccc2c3c45,O=C1CCCc2c1cc3ccc4cccc5ccc2c3c45,"InChI=1/C20H14O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11H,2,5-6H2",C20H14O,,,,,,AIGDHFJPKNZUOR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.052,222-056-7,3331-54-2,"N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)methacrylamide","2-methyl-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acrylamide",CC(=C)C(=O)NC1=NN(C(=O)C1)c2ccccc2,CC(=C)C(=O)NC1=NN(C(=O)C1)c2ccccc2,"InChI=1/C13H13N3O2/c1-9(2)13(18)14-11-8-12(17)16(15-11)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,14,15,18)",C13H13N3O2,,,,,,MXLQAWXKAKUDHC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.060,222-065-6,3333-15-1,"2,3-diphenylpropionic acid","2,3-diphenylpropanoic acid",OC(=O)C(Cc1ccccc1)c2ccccc2,OC(=O)C(Cc1ccccc1)c2ccccc2,"InChI=1/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)",C15H14O2,,,,,,PCRICPYPVZKEBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.062,222-067-7,3333-62-8,"7-(2H-naphtho[1,2-d]triazol-2-yl)-3-phenyl-2-benzopyrone","7-(2H-naphtho[1,2-d][1,2,3]triazol-2-yl)-3-phenyl-2H-chromen-2-one",O=C1Oc2cc(ccc2C=C1c3ccccc3)n4nc5ccc6ccccc6c5n4,O=C1Oc2cc(ccc2C=C1c3ccccc3)n4nc5ccc6ccccc6c5n4,InChI=1/C25H15N3O2/c29-25-21(16-6-2-1-3-7-16)14-18-10-12-19(15-23(18)30-25)28-26-22-13-11-17-8-4-5-9-20(17)24(22)27-28/h1-15H,C25H15N3O2,,,,,,ZHMDPDYBWDMLGE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.063,222-068-2,3333-67-3,Nickel carbonate,nickel(2+) carbonate,[Ni+2].[O-]C(=O)[O-],[Ni+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Ni/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Ni,,,,,,ZULUUIKRFGGGTL-UHFFFAOYSA-L,,,,,,,,,,,
100.040.834,244-934-9,22356-89-4,2-amino-N-methylacetamide,N-methylglycinamide,CNC(=O)CN,CNC(=O)CN,"InChI=1/C3H8N2O/c1-5-3(6)2-4/h2,4H2,1H3,(H,5,6)",C3H8N2O,,,,,,UUYDPHCMCYSNAY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.835,244-935-4,22360-68-5,"1-[5,6,7,8-tetrahydro-5,5-dimethyl-3-(1-methylethyl)-2-naphthyl]ethan-1-one","1-(3-isopropyl-5,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone",CC(C)c1cc2c(CCCC2(C)C)cc1C(=O)C,CC(C)c1cc2c(CCCC2(C)C)cc1C(=O)C,"InChI=1/C17H24O/c1-11(2)14-10-16-13(9-15(14)12(3)18)7-6-8-17(16,4)5/h9-11H,6-8H2,1-5H3",C17H24O,,,,,,UFAIIBGWQMSXDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.844,244-945-9,22383-53-5,a-(ethoxymethyl)benzyl alcohol,2-ethoxy-1-phenylethanol,CCOCC(O)c1ccccc1,CCOCC(O)c1ccccc1,"InChI=1/C10H14O2/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3",C10H14O2,,,,,,XSBXONDDSWGYMG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.845,244-946-4,22383-85-3,"2,3,4-trimethoxy-6-methylbenzaldehyde","2,3,4-trimethoxy-6-methylbenzaldehyde",COc1cc(C)c(C=O)c(OC)c1OC,COc1cc(C)c(C=O)c(OC)c1OC,"InChI=1/C11H14O4/c1-7-5-9(13-2)11(15-4)10(14-3)8(7)6-12/h5-6H,1-4H3",C11H14O4,,,,,,OMDNFMOQYYDECR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.854,244-956-9,22398-09-0,4-propylpiperidine,4-propylpiperidine,CCCC1CCNCC1,CCCC1CCNCC1,"InChI=1/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3",C8H17N,,,,,,RQGBFVLTFYRYKB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.855,244-957-4,22398-14-7,Dimethyl methoxymethylenemalonate,dimethyl (methoxymethylene)malonate,COC=C(C(=O)OC)C(=O)OC,COC=C(C(=O)OC)C(=O)OC,"InChI=1/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3",C7H10O5,,,,,,RHFZTBSULNJWEI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.893,244-999-3,22441-21-0,Bis(pentachlorophenyl) disulphide,"1,1'-disulfanediylbis(pentachlorobenzene)",Clc1c(Cl)c(Cl)c(SSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl,Clc1c(Cl)c(Cl)c(SSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl,InChI=1/C12Cl10S2/c13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22,C12Cl10S2,,,,,,LSVXAQMPXJUTBV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.896,245-002-4,22445-58-5,Cyclooct-4-en-1-yl acetate,cyclooct-4-en-1-yl acetate,CC(=O)OC1CCCC=CCC1,CC(=O)OC1CCCC=CCC1,"InChI=1/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h2-3,10H,4-8H2,1H3",C10H16O2,,,,,,QWGXPNSOYZOCHH-IHWYPQMZSA-N,,,,,,,,,,,
100.040.897,245-004-5,22446-37-3,Methyl (2-hydroxyphenyl)acetate,methyl (2-hydroxyphenyl)acetate,COC(=O)Cc1ccccc1O,COC(=O)Cc1ccccc1O,"InChI=1/C9H10O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3",C9H10O3,,,,,,BVBSGGBDFJUSIH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.906,245-013-4,22457-89-2,Benfotiamine,S-(2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1-[2-(phosphonooxy)ethyl]prop-1-en-1-yl) benzenecarbothioate,Nc2nc(C)ncc2CN(C=O)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1,Nc2nc(C)ncc2CN(C=O)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1,"InChI=1/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)",C19H23N4O6PS,,,,,,BTNNPSLJPBRMLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.909,245-017-6,22463-33-8,"3,5,5-trimethylcyclohex-3-en-1-yl acetate","3,5,5-trimethylcyclohex-3-en-1-yl acetate",CC(=O)OC1CC(=CC(C)(C)C1)C,CC(=O)OC1CC(=CC(C)(C)C1)C,"InChI=1/C11H18O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h6,10H,5,7H2,1-4H3",C11H18O2,,,,,,FLGZVJXOBCBSMH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.918,245-027-0,22483-52-9,"Isophthalic acid, dianhydride with diethyl bis(hydrogen carbonate)","diethyl 1,3-phenylenedicarbonyl biscarbonate",CCOC(=O)OC(=O)c1cccc(c1)C(=O)OC(=O)OCC,CCOC(=O)OC(=O)c1cccc(c1)C(=O)OC(=O)OCC,"InChI=1/C14H14O8/c1-3-19-13(17)21-11(15)9-6-5-7-10(8-9)12(16)22-14(18)20-4-2/h5-8H,3-4H2,1-2H3",C14H14O8,,,,,,SXIBCLRNZISNIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.921,245-030-7,22484-64-6,Zinc disulphanilate,zinc bis(4-aminobenzenesulfonate),[Zn+2].Nc1ccc(cc1)S(=O)(=O)[O-].Nc2ccc(cc2)S(=O)(=O)[O-],[Zn+2].Nc1ccc(cc1)S(=O)(=O)[O-].Nc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C6H7NO3S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4H,7H2,(H,8,9,10);/q;;+2/p-2",C6H7NO3S.1/2Zn,,,,,,RIUORJCWAHCMSA-UHFFFAOYSA-L,,,,,,,,,,,
100.043.854,248-255-9,27137-86-6,Trichloro(trichlorophenyl)silane,"trichloro(2,3,4-trichlorophenyl)silane",Clc1ccc(c(Cl)c1Cl)[Si](Cl)(Cl)Cl,Clc1ccc(c(Cl)c1Cl)[Si](Cl)(Cl)Cl,"InChI=1/C6H2Cl6Si/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H",C6H2Cl6Si,,,,,,SPOAMBDEEBRZSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.858,248-260-6,27143-44-8,"8-hydroxyquinolinium (E,E)-hexa-2,4-dienoate","8-hydroxyquinolinium hexa-2,4-dienoate",C\\C=C\\C=C\\C(=O)[O-].Oc1cccc2ccc[nH+]c12,C\C=C\C=C\C(=O)[O-].Oc1cccc2ccc[nH+]c12,"InChI=1/C9H7NO.C6H8O2/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-3-4-5-6(7)8/h1-6,11H;2-5H,1H3,(H,7,8)",C9H7NO.C6H8O2,,,,,,FPJPOOKQTKUORC-PLKIVWSFSA-N,,,,,,,,,,,
100.043.870,248-273-7,27157-94-4,"O,O-bis(methylphenyl) hydrogen dithiophosphate","O,O-bis(2-methylphenyl) hydrogen dithiophosphate",Cc1ccccc1OP(=S)(S)Oc2ccccc2C,Cc1ccccc1OP(=S)(S)Oc2ccccc2C,"InChI=1/C14H15O2PS2/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,18,19)",C14H15O2PS2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11888,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.870,DFVPPGZSXADRCW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.872,248-275-8,27159-90-6,Sodium N-[2-(N-ethyl-m-toluidino)ethyl]methanesulphonamidate,sodium {2-[ethyl(3-methylphenyl)amino]ethyl}(methylsulfonyl)azanide,CCN(CCN([Na])S(=O)(=O)C)c1cccc(C)c1,CCN(CCN([Na])S(=O)(=O)C)c1cccc(C)c1,"InChI=1/C12H19N2O2S.Na/c1-4-14(9-8-13-17(3,15)16)12-7-5-6-11(2)10-12;/h5-7,10H,4,8-9H2,1-3H3;/q-1;+1/rC12H19N2NaO2S/c1-4-13(8-9-14(15)18(3,16)17)12-7-5-6-11(2)10-12/h5-7,10H,4,8-9H2,1-3H3",C12H20N2O2S.Na,,,,,,KNTVCAJLJXABRC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.873,248-276-3,27160-08-3,"4-(2-chloroethyl)-1,2-dimethoxybenzene","4-(2-chloroethyl)-1,2-dimethoxybenzene",COc1ccc(CCCl)cc1OC,COc1ccc(CCCl)cc1OC,"InChI=1/C10H13ClO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6H2,1-2H3",C10H13ClO2,,,,,,VZGITQAWSRBJPP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.375,249-929-5,29886-19-9,"2',3'-diacetyladenosine","2',3'-di-C-acetyladenosine",CC(=O)[C@]1(O)[C@@H](O[C@H](CO)[C@]1(O)C(=O)C)n2cnc3c(N)ncnc23,CC(=O)[C@]1(O)[C@@H](O[C@H](CO)[C@]1(O)C(=O)C)n2cnc3c(N)ncnc23,"InChI=1/C14H17N5O6/c1-6(21)13(23)8(3-20)25-12(14(13,24)7(2)22)19-5-18-9-10(15)16-4-17-11(9)19/h4-5,8,12,20,23-24H,3H2,1-2H3,(H2,15,16,17)",C14H17N5O6,,,,,,QEUNCPMKPOJTAW-OJICRYGUSA-N,,,,,,,,,,,
100.045.379,249-933-7,29895-12-3,"3,3',3''-[(allyloxy-1-ethanyl-2-ylidene)tris(oxy)]trispropene","3,3',3'',3'''-[ethane-1,1,2,2-tetrayltetrakis(oxy)]tetrakis(prop-1-ene)",C=CCOC(OCC=C)C(OCC=C)OCC=C,C=CCOC(OCC=C)C(OCC=C)OCC=C,"InChI=1/C14H22O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-8,13-14H,1-4,9-12H2",C14H22O4,,,,,,BXAAQNFGSQKPDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.380,249-934-2,29895-73-6,"Benzeneacetaldehyde, cyclic acetal with glycerol","(2-benzyl-1,3-dioxolan-4-yl)methanol",OCC1COC(Cc2ccccc2)O1,OCC1COC(Cc2ccccc2)O1,"InChI=1/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2",C11H14O3,,,,,,ZPENOSKWEKGDCX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.871,244-975-2,22414-77-3,2-ethyl-3-methylvaleric acid,2-ethyl-3-methylpentanoic acid,CCC(C)C(CC)C(=O)O,CCC(C)C(CC)C(=O)O,"InChI=1/C8H16O2/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)",C8H16O2,,,,,,MVNDLBVMQJUQOA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.874,244-978-9,22414-93-3,"Calcium 2,2'-dithiobishexanoate","calcium 2,2'-disulfanediyldihexanoate",[Ca+2].CCCCC(SSC(CCCC)C(=O)[O-])C(=O)[O-],[Ca+2].CCCCC(SSC(CCCC)C(=O)[O-])C(=O)[O-],"InChI=1/C12H22O4S2.Ca/c1-3-5-7-9(11(13)14)17-18-10(12(15)16)8-6-4-2;/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16);/q;+2/p-2",C12H22O4S2.Ca,,,,,,JMZNGIWKVGFPQW-UHFFFAOYSA-L,,,,,,,,,,,
100.042.500,246-766-1,25264-26-0,1-[[3-(dimethylamino)propyl]amino]-4-(methylamino)anthraquinone,"1-{[3-(dimethylamino)propyl]amino}-4-(methylamino)-9,10-anthraquinone",CNc1ccc(NCCCN(C)C)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(NCCCN(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H23N3O2/c1-21-15-9-10-16(22-11-6-12-23(2)3)18-17(15)19(24)13-7-4-5-8-14(13)20(18)25/h4-5,7-10,21-22H,6,11-12H2,1-3H3",C20H23N3O2,,,,,,WBXFUQWYLUPTDE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.460,248-922-4,28237-14-1,"9,10-dihydro-2-methyl-4H-benzo[5,6]cyclohept[1,2-d]oxazol-4-ol","2-methyl-9,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-d][1,3]oxazol-4-ol",Cc1oc2CCc3ccccc3C(O)c2n1,Cc1oc2CCc3ccccc3C(O)c2n1,"InChI=1/C13H13NO2/c1-8-14-12-11(16-8)7-6-9-4-2-3-5-10(9)13(12)15/h2-5,13,15H,6-7H2,1H3",C13H13NO2,,,,,,TXKVXQAFACOKFT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.464,248-927-1,28258-94-8,Bis(octylphenyl) hydrogen phosphate,bis(2-octylphenyl) hydrogen phosphate,CCCCCCCCc1ccccc1OP(=O)(O)Oc2ccccc2CCCCCCCC,CCCCCCCCc1ccccc1OP(=O)(O)Oc2ccccc2CCCCCCCC,"InChI=1/C28H43O4P/c1-3-5-7-9-11-13-19-25-21-15-17-23-27(25)31-33(29,30)32-28-24-18-16-22-26(28)20-14-12-10-8-6-4-2/h15-18,21-24H,3-14,19-20H2,1-2H3,(H,29,30)",C28H43O4P,,,,,,MHPZOLWFFCQILC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.487,248-952-8,28303-42-6,Dodecyl formate,dodecyl formate,CCCCCCCCCCCCOC=O,CCCCCCCCCCCCOC=O,"InChI=1/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h13H,2-12H2,1H3",C13H26O2,,,,,,WPSGFSPBRBRLIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.489,248-954-9,28308-70-5,"1,3-dimethyl-1,3-dioxodistannoxane","1,3-dimethyl-1,3-dioxodistannoxane",C[Sn](=O)O[Sn](=O)C,C[Sn](=O)O[Sn](=O)C,InChI=1/2CH3.3O.2Sn/h2*1H3;;;;;/rC2H6O3Sn2/c1-6(3)5-7(2)4/h1-2H3,C2H6O3Sn2,,,,,,JZGNONJUFATVHH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.494,248-960-1,28316-62-3,"Propyl (2E,4Z)-2,4-decadienoate","propyl deca-2,4-dienoate",CCCCC\\C=C/C=C/C(=O)OCCC,CCCCC\C=C/C=C/C(=O)OCCC,"InChI=1/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3",C13H22O2,,,,,,RKDOXCGYGLYOBV-QNRZBPGKSA-N,,,,,,,,,,,
100.044.499,248-965-9,28322-37-4,N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-benzotriazole-5-carboxamide monohydrochloride,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1H-benzotriazole-6-carboxamide hydrochloride,Cl.CCN1CCCC1CNC(=O)c2cc3[nH]nnc3cc2OC,Cl.CCN1CCCC1CNC(=O)c2cc3[nH]nnc3cc2OC,"InChI=1/C15H21N5O2.ClH/c1-3-20-6-4-5-10(20)9-16-15(21)11-7-12-13(18-19-17-12)8-14(11)22-2;/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)(H,17,18,19);1H",C15H21N5O2.ClH,,,,,,LDPLUFCSIHJQKF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.125,249-653-5,29462-75-7,Sodium 2-(octyloxy)-2-oxoethane-1-sulphonate,sodium 2-(octyloxy)-2-oxoethanesulfonate,[Na+].CCCCCCCCOC(=O)CS(=O)(=O)[O-],[Na+].CCCCCCCCOC(=O)CS(=O)(=O)[O-],"InChI=1/C10H20O5S.Na/c1-2-3-4-5-6-7-8-15-10(11)9-16(12,13)14;/h2-9H2,1H3,(H,12,13,14);/q;+1/p-1",C10H20O5S.Na,,,,,,PFDIDGFAIAAGSH-UHFFFAOYSA-M,,,,,,,,,,,
100.045.127,249-655-6,29463-06-7,Tris(2-hydroxyethyl)methylammonium methyl sulphate,"1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-aminium methyl sulfate",COS(=O)(=O)[O-].[NH3+]C(CCO)(CCO)CCO,COS(=O)(=O)[O-].[NH3+]C(CCO)(CCO)CCO,"InChI=1/C7H17NO3.CH4O4S/c8-7(1-4-9,2-5-10)3-6-11;1-5-6(2,3)4/h9-11H,1-6,8H2;1H3,(H,2,3,4)",C7H18NO3.CH3O4S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18173,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.127,BNJARKXAXQVMON-UHFFFAOYSA-N,,,,,,,,,,,
100.042.183,246-417-3,24691-17-6,"trans-3-ethoxy-1,1,5-trimethylcyclohexane","3-ethoxy-1,1,5-trimethylcyclohexane",CCO[C@@H]1C[C@@H](C)CC(C)(C)C1,CCO[C@@H]1C[C@@H](C)CC(C)(C)C1,"InChI=1/C11H22O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h9-10H,5-8H2,1-4H3",C11H22O,,,,,,JVBNHJDWWBSWLE-NXEZZACHSA-N,,,,,,,,,,,
100.042.188,246-423-6,24700-85-4,"3,4-dihydro-4-isopropyl-2,2-dimethyl-7-octyl-2H-1-benzopyran-6-ol","4-isopropyl-2,2-dimethyl-7-octylchroman-6-ol",CCCCCCCCc1cc2OC(C)(C)CC(C(C)C)c2cc1O,CCCCCCCCc1cc2OC(C)(C)CC(C(C)C)c2cc1O,"InChI=1/C22H36O2/c1-6-7-8-9-10-11-12-17-13-21-18(14-20(17)23)19(16(2)3)15-22(4,5)24-21/h13-14,16,19,23H,6-12,15H2,1-5H3",C22H36O2,,,,,,JYZPSBQSMQQYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.191,246-426-2,24717-85-9,"3,7-dimethyl-6-octenyl 2-methylcrotonate","3,7-dimethyloct-6-en-1-yl 2-methylbut-2-enoate",C\\C=C(/C)\\C(=O)OCCC(C)CCC=C(C)C,C\C=C(/C)\C(=O)OCCC(C)CCC=C(C)C,"InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3",C15H26O2,,,,,,UCFQYMKLDPWFHZ-MKMNVTDBSA-N,,,,,,,,,,,
100.042.195,246-430-4,24720-09-0,"(E)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one","1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one",C\\C=C\\C(=O)C1C(=CCCC1(C)C)C,C\C=C\C(=O)C1C(=CCCC1(C)C)C,"InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3",C13H20O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16823,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.195,CRIGTVCBMUKRSL-FNORWQNLSA-N,,,,,,,,,,,
100.020.333,222-365-7,3446-89-7,4-(methylthio)benzaldehyde,4-(methylsulfanyl)benzaldehyde,CSc1ccc(C=O)cc1,CSc1ccc(C=O)cc1,"InChI=1/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",C8H8OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19019,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.333,QRVYABWJVXXOTN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.348,222-381-4,7/07/3454,4-ethylstyrene,1-ethyl-4-vinylbenzene,CCc1ccc(C=C)cc1,CCc1ccc(C=C)cc1,"InChI=1/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C10H12,,,,,,WHFHDVDXYKOSKI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.351,222-385-6,3457-13-4,2-hydroxy-4-(octadecyloxy)benzophenone,[2-hydroxy-4-(octadecyloxy)phenyl](phenyl)methanone,CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34-28-23-24-29(30(32)26-28)31(33)27-21-18-17-19-22-27/h17-19,21-24,26,32H,2-16,20,25H2,1H3",C31H46O3,,,,,,POLSVAXEEHDBMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.353,222-387-7,3457-46-3,Bis(4-chlorophenyl)ethanedione,"1,2-bis(4-chlorophenyl)ethane-1,2-dione",Clc1ccc(cc1)C(=O)C(=O)c2ccc(Cl)cc2,Clc1ccc(cc1)C(=O)C(=O)c2ccc(Cl)cc2,InChI=1/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H,C14H8Cl2O2,,,,,,XMAWUPHYEABFDR-UHFFFAOYSA-N,,,,,,,,,,,
100.019.894,221-883-0,3268-79-9,Chloromethyl thiocyanate,chloromethyl thiocyanate,ClCSC#N,ClCSC#N,InChI=1/C2H2ClNS/c3-1-5-2-4/h1H2,C2H2ClNS,,,,,,UXUCVNXUWOLPRU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.906,221-896-1,3271-22-5,"2,4-dimethoxy-6-pyren-1-yl-1,3,5-triazine","2,4-dimethoxy-6-pyren-1-yl-1,3,5-triazine",COc1nc(OC)nc(n1)c2ccc3ccc4cccc5ccc2c3c45,COc1nc(OC)nc(n1)c2ccc3ccc4cccc5ccc2c3c45,"InChI=1/C21H15N3O2/c1-25-20-22-19(23-21(24-20)26-2)16-11-9-14-7-6-12-4-3-5-13-8-10-15(16)18(14)17(12)13/h3-11H,1-2H3",C21H15N3O2,,,,,,FYGHRTSDRSCANY-UHFFFAOYSA-N,,,,,,,,,,,
100.019.913,221-903-8,3274-73-5,S-benzyl-N-(benzyloxycarbonyl)-L-cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-S-benzyl-L-cysteinyl-L-prolyl-L-leucylglycinamide,S-benzyl-N-[(benzyloxy)carbonyl]-L-cysteinyl-L-tyrosylisoleucyl-L-glutaminyl-L-asparaginyl-S-benzyl-L-cysteinyl-L-prolyl-L-leucylglycinamide,CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCc2ccccc2)NC(=O)OCc3ccccc3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CSCc4ccccc4)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N,CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCc2ccccc2)NC(=O)OCc3ccccc3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CSCc4ccccc4)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N,"InChI=1/C65H86N12O14S2/c1-5-40(4)56(76-60(85)48(31-41-23-25-45(78)26-24-41)71-61(86)50(37-92-35-43-18-11-7-12-19-43)75-65(90)91-34-42-16-9-6-10-17-42)63(88)70-46(27-28-53(66)79)58(83)72-49(32-54(67)80)59(84)74-51(38-93-36-44-20-13-8-14-21-44)64(89)77-29-15-22-52(77)62(87)73-47(30-39(2)3)57(82)69-33-55(68)81/h6-14,16-21,23-26,39-40,46-52,56,78H,5,15,22,27-38H2,1-4H3,(H2,66,79)(H2,67,80)(H2,68,81)(H,69,82)(H,70,88)(H,71,86)(H,72,83)(H,73,87)(H,74,84)(H,75,90)(H,76,85)",C65H86N12O14S2,,,,,,FVTVNUVEOWTSNK-JCNUAAGLSA-N,,,,,,,,,,,
100.019.916,221-906-4,3277-26-7,"1,1,3,3-tetramethyldisiloxane","1,1,3,3-tetramethyldisiloxane",C[SiH](C)O[SiH](C)C,C[SiH](C)O[SiH](C)C,"InChI=1/C4H14OSi2/c1-6(2)5-7(3)4/h6-7H,1-4H3",C4H14OSi2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14225,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.916,NVYQDQZEMGUESH-UHFFFAOYSA-N,,,,,,,,,,,
100.019.921,221-912-7,3278-46-4,Chloropon,"2,2,3-trichloropropanoic acid",OC(=O)C(Cl)(Cl)CCl,OC(=O)C(Cl)(Cl)CCl,"InChI=1/C3H3Cl3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)",C3H3Cl3O2,,,,,,QZEKHJXYZSJVCL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.925,221-916-9,3279-27-4,"2-(1,1-dimethylpropyl)phenol","2-(1,1-dimethylpropyl)phenol",CCC(C)(C)c1ccccc1O,CCC(C)(C)c1ccccc1O,"InChI=1/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3",C11H16O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17108,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.925,BGRKGHSKCFAPCL-UHFFFAOYSA-N,,,,,,,,,,,
100.019.929,221-921-6,3282-30-2,Pivaloyl chloride,"2,2-dimethylpropanoyl chloride",CC(C)(C)C(=O)Cl,CC(C)(C)C(=O)Cl,"InChI=1/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3",C5H9ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13938,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.929,JVSFQJZRHXAUGT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.939,221-932-6,3284-79-5,3-(4-chlorophenoxy)propionic acid,3-(4-chlorophenoxy)propanoic acid,OC(=O)CCOc1ccc(Cl)cc1,OC(=O)CCOc1ccc(Cl)cc1,"InChI=1/C9H9ClO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)",C9H9ClO3,,,,,,OWHJDUCBLVMRBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.900,220-789-7,2899-60-7,Succinimido [[(benzyloxy)carbonyl]amino]acetate,"2,5-dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]glycinate",O=C(CNC(=O)OCc1ccccc1)ON2C(=O)CCC2=O,O=C(CNC(=O)OCc1ccccc1)ON2C(=O)CCC2=O,"InChI=1/C14H14N2O6/c17-11-6-7-12(18)16(11)22-13(19)8-15-14(20)21-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,20)",C14H14N2O6,,,,,,WSCWXNZWFZXKEH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.909,220-799-1,2903-12-0,"[1,1'-bicyclohexyl]-1-ol","1,1'-bi(cyclohexyl)-1-ol",OC1(CCCCC1)C2CCCCC2,OC1(CCCCC1)C2CCCCC2,"InChI=1/C12H22O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h11,13H,1-10H2",C12H22O,,,,,,PVSNMDAHWMHSBD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.911,220-801-0,2903-34-6,N-(p-chlorophenyl)-p-toluenesulphonamide,N-(4-chlorophenyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)cc2,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)cc2,"InChI=1/C13H12ClNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3",C13H12ClNO2S,,,,,,DOPAQNXFOIXWPI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.857,244-960-0,22404-04-2,D-glycero-L-manno-heptono-<U+03B3>-lactone,"3,4-dihydroxy-5-(1,2,3-trihydroxypropyl)dihydrofuran-2(3H)-one (non-preferred name)",OCC(O)C(O)C1OC(=O)C(O)C1O,OCC(O)C(O)C1OC(=O)C(O)C1O,"InChI=1/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2",C7H12O7,,,,,,VIVCRCODGMFTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.860,244-963-7,22409-83-2,(2-phenoxyethyl)triphenylphosphonium bromide,(2-phenoxyethyl)(triphenyl)phosphonium bromide,[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)Oc4ccccc4,[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)Oc4ccccc4,"InChI=1/C26H24OP.BrH/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1",C26H24OP.Br,,,,,,QFIVZQJPMLZRIS-UHFFFAOYSA-M,,,,,,,,,,,
100.040.868,244-972-6,22414-24-0,"2,5-dihydro-2,5-dimethoxy-2-methylfuran","2,5-dimethoxy-2-methyl-2,5-dihydrofuran",COC1OC(C)(OC)C=C1,COC1OC(C)(OC)C=C1,"InChI=1/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3",C7H12O3,,,,,,ODARVONGEVVSAG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.870,244-974-7,22414-71-7,"7-hydroxy-2,3,7-trimethyloctanal","7-hydroxy-2,3,7-trimethyloctanal",CC(CCCC(C)(C)O)C(C)C=O,CC(CCCC(C)(C)O)C(C)C=O,"InChI=1/C11H22O2/c1-9(10(2)8-12)6-5-7-11(3,4)13/h8-10,13H,5-7H2,1-4H3",C11H22O2,,,,,,VPDIJXJVEYAHAP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.503,246-769-8,25265-68-3,Methyltetrahydrofuran,2-methyltetrahydrofuran,CC1CCCO1,CC1CCCO1,"InChI=1/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3",C5H10O,,,,,,JWUJQDFVADABEY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.506,246-772-4,25265-78-5,Tetrapropylenebenzene,"1,2,3,5-tetrapropylbenzene",CCCc1cc(CCC)c(CCC)c(CCC)c1,CCCc1cc(CCC)c(CCC)c(CCC)c1,"InChI=1/C18H30/c1-5-9-15-13-16(10-6-2)18(12-8-4)17(14-15)11-7-3/h13-14H,5-12H2,1-4H3",C18H30,,,,,,NYIQECIYDUSNRC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.462,248-925-0,28252-15-5,1-amino-4-[(3-chlorophenyl)amino]-2-(ethylsulphonyl)anthraquinone,"1-amino-4-[(3-chlorophenyl)amino]-2-(ethylsulfonyl)-9,10-anthraquinone",CCS(=O)(=O)c1cc(Nc2cccc(Cl)c2)c3C(=O)c4ccccc4C(=O)c3c1N,CCS(=O)(=O)c1cc(Nc2cccc(Cl)c2)c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C22H17ClN2O4S/c1-2-30(28,29)17-11-16(25-13-7-5-6-12(23)10-13)18-19(20(17)24)22(27)15-9-4-3-8-14(15)21(18)26/h3-11,25H,2,24H2,1H3",C22H17ClN2O4S,,,,,,YXIFYSPDGDPJEM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.469,248-932-9,28267-32-5,Isopropyl nonan-1-oate,isopropyl nonanoate,CCCCCCCCC(=O)OC(C)C,CCCCCCCCC(=O)OC(C)C,"InChI=1/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3",C12H24O2,,,,,,DVFZGWDMFKTMFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.473,248-937-6,28281-49-4,"1-(1,3-benzodioxol-5-yl)propan-1-one","1-(1,3-benzodioxol-5-yl)propan-1-one",CCC(=O)c1ccc2OCOc2c1,CCC(=O)c1ccc2OCOc2c1,"InChI=1/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3",C10H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12330,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.473,RVBJGSPBFIUTTR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.482,248-947-0,28299-29-8,Octadecenylsuccinic acid,2-octadec-1-en-1-ylsuccinic acid,OC(=O)C(C=CCCCCCCCCCCCCCCCC)CC(O)=O,OC(=O)C(C=CCCCCCCCCCCCCCCCC)CC(O)=O,"InChI=1/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,25,26)",C22H40O4,,,,,,GYTGJCPXNGAJFT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.486,248-951-2,28302-70-7,Pentafluoropropanol,"1,1,2,2,3-pentafluoropropan-1-ol",OC(F)(F)C(F)(F)CF,OC(F)(F)C(F)(F)CF,"InChI=1/C3H3F5O/c4-1-2(5,6)3(7,8)9/h9H,1H2",C3H3F5O,,,,,,COWKRCCNQSQUGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.488,248-953-3,28305-25-1,Calcium (S)-2-hydroxypropionate,calcium bis(2-hydroxypropanoate),[Ca+2].C[C@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-],[Ca+2].C[C@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-],"InChI=1/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C3H6O3.1/2Ca,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12132,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.488,MKJXYGKVIBWPFZ-CEOVSRFSSA-L,,,,,,,,,,,
100.044.492,248-958-0,28315-93-7,"1,2,3,4-tetrahydro-5-hydroxynaphthalen-1-one","5-hydroxy-3,4-dihydronaphthalen-1(2H)-one",Oc1cccc2C(=O)CCCc12,Oc1cccc2C(=O)CCCc12,"InChI=1/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2",C10H10O2,,,,,,YPPZCRZRQHFRBH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.493,248-959-6,28316-43-0,Trisodium N-[5-hydroxy-6-[[5-[[2-(sulphonatooxy)ethyl]sulphonyl]-2-methoxyphenyl]azo]-7-sulphonato-2-naphthyl]succinamate,trisodium 4-({5-hydroxy-6-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-4-oxobutanoate,[Na+].[Na+].[Na+].COc3ccc(cc3N=Nc2c(cc1cc(NC(=O)CCC([O-])=O)ccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].[Na+].COc3ccc(cc3N=Nc2c(cc1cc(NC(=O)CCC([O-])=O)ccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C23H23N3O14S3.3Na/c1-39-18-5-3-15(41(31,32)9-8-40-43(36,37)38)12-17(18)25-26-22-19(42(33,34)35)11-13-10-14(2-4-16(13)23(22)30)24-20(27)6-7-21(28)29;;;/h2-5,10-12,30H,6-9H2,1H3,(H,24,27)(H,28,29)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",C23H23N3O14S3.3Na,,,,,,AWLFRWQWZLKXRL-UHFFFAOYSA-K,,,,,,,,,,,
100.044.498,248-964-3,28322-02-3,N-9H-fluoren-4-ylacetamide,N-9H-fluoren-4-ylacetamide,CC(=O)Nc1cccc2Cc3ccccc3c12,CC(=O)Nc1cccc2Cc3ccccc3c12,"InChI=1/C15H13NO/c1-10(17)16-14-8-4-6-12-9-11-5-2-3-7-13(11)15(12)14/h2-8H,9H2,1H3,(H,16,17)",C15H13NO,,,,,,PHPWISAFHNEMSR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.382,249-936-3,29897-82-3,1-(benzyl)pyrrolidine,1-benzylpyrrolidine,C(N1CCCC1)c2ccccc2,C(N1CCCC1)c2ccccc2,"InChI=1/C11H15N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7H,4-5,8-10H2",C11H15N,,,,,,CWEGCQIIDCZZED-UHFFFAOYSA-N,,,,,,,,,,,
100.040.606,244-683-5,21962-24-3,"1,1-dimethoxybut-2-ene","1,1-dimethoxybut-2-ene",CC=CC(OC)OC,CC=CC(OC)OC,"InChI=1/C6H12O2/c1-4-5-6(7-2)8-3/h4-6H,1-3H3",C6H12O2,,,,,,NOYRGONWBIVLEL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.608,244-685-6,21963-26-8,5-pentylfuran-2(5H)-one,5-pentylfuran-2(5H)-one,CCCCCC1OC(=O)C=C1,CCCCCC1OC(=O)C=C1,"InChI=1/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3",C9H14O2,,,,,,MXZSZHJBUODOJK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.621,244-699-2,21995-29-9,Ammonium samarium(3+) disulphate,ammonium samarium(3+) disulphate,[NH4+].[Sm+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Sm+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S.Sm/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);/q;;;+3/p-3",H3N.2H2O4S.Sm,,,,,,UHVSGGICUWLXMJ-UHFFFAOYSA-K,,,,,,,,,,,
100.042.251,246-492-2,24846-92-2,"Acetic acid, ammonium zinc salt",-,[NH4+].[Zn+2].CC(=O)[O-],[NH4+].[Zn+2].CC(=O)[O-],"InChI=1/C2H4O2.H3N.Zn/c1-2(3)4;;/h1H3,(H,3,4);1H3;/q;;+2",C2H4O2.xH3N.xZn,,,,,,QTONSRKHRRRDED-UHFFFAOYSA-N,,,,,,,,,,,
100.042.252,246-493-8,24848-00-8,2-hexylcyclohexan-1-one,2-hexylcyclohexanone,CCCCCCC1CCCCC1=O,CCCCCCC1CCCCC1=O,"InChI=1/C12H22O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h11H,2-10H2,1H3",C12H22O,,,,,,UVYQGAQIYBOCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.259,246-502-5,24856-80-2,Ammonium diethyl phosphate,ammonium diethyl phosphate,[NH4+].CCOP(=O)([O-])OCC,[NH4+].CCOP(=O)([O-])OCC,"InChI=1/C4H11O4P.H3N/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);1H3",C4H11O4P.H3N,,,,,,FOBUVCHEKOTWKT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.262,246-505-1,24864-19-5,"4-(4-biphenylyl)-2-methyl-1,3-thiazole","4-biphenyl-4-yl-2-methyl-1,3-thiazole",Cc1nc(cs1)c2ccc(cc2)c3ccccc3,Cc1nc(cs1)c2ccc(cc2)c3ccccc3,"InChI=1/C16H13NS/c1-12-17-16(11-18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3",C16H13NS,,,,,,OKOZRTTWERNRQS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.263,246-506-7,24867-19-4,"5-ethylpyrimidine-2,4,6-triamine","5-ethylpyrimidine-2,4,6-triamine",CCc1c(N)nc(N)nc1N,CCc1c(N)nc(N)nc1N,"InChI=1/C6H11N5/c1-2-3-4(7)10-6(9)11-5(3)8/h2H2,1H3,(H6,7,8,9,10,11)",C6H11N5,,,,,,JMJXZCVZSCWVDV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.183,248-618-1,27701-66-2,4-bromo-3-nitrobiphenyl,4-bromo-3-nitrobiphenyl,[O-][N+](=O)c1cc(ccc1Br)c2ccccc2,[O-][N+](=O)c1cc(ccc1Br)c2ccccc2,InChI=1/C12H8BrNO2/c13-11-7-6-10(8-12(11)14(15)16)9-4-2-1-3-5-9/h1-8H,C12H8BrNO2,,,,,,NVBGNJFLYDTGTN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.195,248-631-2,27738-96-1,Isocyanatocarbonyl chloride,isocyanatocarbonyl chloride,ClC(=O)N=C=O,ClC(=O)N=C=O,InChI=1/C2ClNO2/c3-2(6)4-1-5,C2ClNO2,,,,,,VBBUFMFZDHLELS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.198,248-634-9,27742-10-5,Ditridecyl dodecanedioate,ditridecyl dodecanedioate,CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCC,"InChI=1/C38H74O4/c1-3-5-7-9-11-13-15-19-23-27-31-35-41-37(39)33-29-25-21-17-18-22-26-30-34-38(40)42-36-32-28-24-20-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C38H74O4,,,,,,XEEGJDISKZUVQO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.201,248-638-0,27757-79-5,3-hydroxy-4-(phenylazo)-2-naphthoic acid,3-hydroxy-4-(phenyldiazenyl)-2-naphthoic acid,OC(=O)c3cc1ccccc1c(N=Nc2ccccc2)c3O,OC(=O)c3cc1ccccc1c(N=Nc2ccccc2)c3O,"InChI=1/C17H12N2O3/c20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12/h1-10,20H,(H,21,22)",C17H12N2O3,,,,,,DYMRMULFWJUGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.203,248-640-1,27757-95-5,4-[(4-chloro-5-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid,4-[(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-2-naphthoic acid,Cc3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(cc3Cl)S(O)(=O)=O,Cc3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(cc3Cl)S(O)(=O)=O,"InChI=1/C18H13ClN2O6S/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)",C18H13ClN2O6S,,,,,,BZRQQRFJGITEMV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.205,248-642-2,27761-26-8,2-methoxy-4-nitrobenzenediazonium,2-methoxy-4-nitrobenzenediazonium,COc1cc(ccc1[N+]#N)[N+](=O)[O-],COc1cc(ccc1[N+]#N)[N+](=O)[O-],"InChI=1/C7H6N3O3/c1-13-7-4-5(10(11)12)2-3-6(7)9-8/h2-4H,1H3/q+1",C7H6N3O3,,,,,,QCONCWPZAHEPSP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.212,248-650-6,27772-09-4,"[<U+0394>5,5'(6H,6'H)-bifluorantheno[3,2-b]thiophene]-6,6'-dione","6H,6'H-5,5'-bifluorantheno[3,2-b]thiophene-6,6'-dione",O=C1C(=C2Sc3c(cc4c5ccccc5c6cccc3c46)C2=O)Sc7c1cc8c9ccccc9c%10cccc7c8%10,O=C1C(=C2Sc3c(cc4c5ccccc5c6cccc3c46)C2=O)Sc7c1cc8c9ccccc9c%10cccc7c8%10,InChI=1/C36H16O2S2/c37-31-27-15-25-19-9-3-1-7-17(19)21-11-5-13-23(29(21)25)33(27)39-35(31)36-32(38)28-16-26-20-10-4-2-8-18(20)22-12-6-14-24(30(22)26)34(28)40-36/h1-16H,C36H16O2S2,,,,,,KXKKHISGEVNMPR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.196,246-432-5,24724-55-8,10-(3-chloro-2-methylpropyl)-2-methoxy-10H-phenothiazine,10-(3-chloro-2-methylpropyl)-2-methoxy-10H-phenothiazine,COc1ccc2Sc3ccccc3N(CC(C)CCl)c2c1,COc1ccc2Sc3ccccc3N(CC(C)CCl)c2c1,"InChI=1/C17H18ClNOS/c1-12(10-18)11-19-14-5-3-4-6-16(14)21-17-8-7-13(20-2)9-15(17)19/h3-9,12H,10-11H2,1-2H3",C17H18ClNOS,,,,,,RGVWJLFRRZKPRE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.207,246-444-0,24742-16-3,Titanium(4+) benzoate,titanium(4+) tetrabenzoate,[Ti+4].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3.[O-]C(=O)c4ccccc4,[Ti+4].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3.[O-]C(=O)c4ccccc4,"InChI=1/4C7H6O2.Ti/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+4/p-4",C7H6O2.1/4Ti,,,,,,WYKQDEPZMVTTSJ-UHFFFAOYSA-J,,,,,,,,,,,
100.042.211,246-448-2,24758-50-7,8-(phenylamino)-5-[[4-[(3-sulphophenyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonic acid,8-anilino-5-({4-[(3-sulfophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3cccc(c3)S(O)(=O)=O)c4ccccc45,OS(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3cccc(c3)S(O)(=O)=O)c4ccccc45,"InChI=1/C32H23N5O6S2/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43/h1-20,33H,(H,38,39,40)(H,41,42,43)",C32H23N5O6S2,,,,,,DJRZPZBRKRAGBD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.213,246-450-3,24765-31-9,"5,5'-(penta-1,3-dien-1-yl-5-ylidene)bis[1,3-diethyl-2-thiobarbituric] acid","5,5'-penta-1,3-dien-1-yl-5-ylidenebis(1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)",CCN1C(=O)C(C=CC=CC=C2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S,CCN1C(=O)C(C=CC=CC=C2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S,"InChI=1/C21H26N4O4S2/c1-5-22-16(26)14(17(27)23(6-2)20(22)30)12-10-9-11-13-15-18(28)24(7-3)21(31)25(8-4)19(15)29/h9-14H,5-8H2,1-4H3",C21H26N4O4S2,,,,,,CDNUBETVVAAMOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.216,246-454-5,24771-25-3,Dimethyl cyanoimidocarbonate,dimethyl cyanoimidocarbonate,COC(=NC#N)OC,COC(=NC#N)OC,InChI=1/C4H6N2O2/c1-7-4(8-2)6-3-5/h1-2H3,C4H6N2O2,,,,,,ZOKYZTUQSVAKHS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.221,246-459-2,24787-83-5,N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-L-alanine,N-[(benzyloxy)carbonyl]-D-isoleucyl-L-alanine,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O,"InChI=1/C17H24N2O5/c1-4-11(2)14(15(20)18-12(3)16(21)22)19-17(23)24-10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)",C17H24N2O5,,,,,,ODCYXWIILYCUCZ-WGIUUAEBSA-N,,,,,,,,,,,
100.042.222,246-460-8,24789-99-9,[4-(diethylamino)phenyl]ethylenetricarbonitrile,"2-[4-(diethylamino)phenyl]ethene-1,1,2-tricarbonitrile",CCN(CC)c1ccc(cc1)C(=C(C#N)C#N)C#N,CCN(CC)c1ccc(cc1)C(=C(C#N)C#N)C#N,"InChI=1/C15H14N4/c1-3-19(4-2)14-7-5-12(6-8-14)15(11-18)13(9-16)10-17/h5-8H,3-4H2,1-2H3",C15H14N4,,,,,,OOAQCESADLTRLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.009,249-525-9,29225-91-0,"Tris(1-methylethyl)-1,1'-biphenyl","2,2',3-triisopropylbiphenyl",CC(C)c1ccccc1c2cccc(C(C)C)c2C(C)C,CC(C)c1ccccc1c2cccc(C(C)C)c2C(C)C,"InChI=1/C21H28/c1-14(2)17-10-7-8-11-19(17)20-13-9-12-18(15(3)4)21(20)16(5)6/h7-16H,1-6H3",C21H28,,,,,,BQTWKMSQBDFZRD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.010,249-526-4,29228-93-1,4-(diethylamino)benzaldehyde [[4-(diethylamino)phenyl]methylene]hydrazone,"4,4'-(hydrazine-1,2-diylidenedimethylylidene)bis(N,N-diethylaniline)",CCN(CC)c1ccc(cc1)C=N/N=C/c2ccc(cc2)N(CC)CC,CCN(CC)c1ccc(cc1)C=N/N=C/c2ccc(cc2)N(CC)CC,"InChI=1/C22H30N4/c1-5-25(6-2)21-13-9-19(10-14-21)17-23-24-18-20-11-15-22(16-12-20)26(7-3)8-4/h9-18H,5-8H2,1-4H3",C22H30N4,,,,,,LKNAOEKIUMUWHF-AALPEOGESA-N,,,,,,,,,,,
100.045.015,249-532-7,29243-46-7,Magnesium 4-[(dipropylamino)sulphonyl]benzoate,magnesium bis[4-(dipropylsulfamoyl)benzoate],[Mg+2].CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)[O-].CCCN(CCC)S(=O)(=O)c2ccc(cc2)C(=O)[O-],[Mg+2].CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)[O-].CCCN(CCC)S(=O)(=O)c2ccc(cc2)C(=O)[O-],"InChI=1/2C13H19NO4S.Mg/c2*1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h2*5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;;+2/p-2",C13H19NO4S.1/2Mg,,,,,,MPLGKWAFXWWLMP-UHFFFAOYSA-L,,,,,,,,,,,
100.045.018,249-535-3,29253-36-9,Isopropylnaphthalene,1-isopropylnaphthalene,CC(C)c1cccc2ccccc12,CC(C)c1cccc2ccccc12,"InChI=1/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3",C13H14,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11393,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.018,PMPBFICDXLLSRM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.019,249-536-9,29256-81-3,Sodium diisobutylnaphthalene-1-sulphonate,"sodium 2,3-diisobutylnaphthalene-1-sulfonate",[Na+].CC(C)Cc1cc2ccccc2c(c1CC(C)C)S(=O)(=O)[O-],[Na+].CC(C)Cc1cc2ccccc2c(c1CC(C)C)S(=O)(=O)[O-],"InChI=1/C18H24O3S.Na/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4;/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21);/q;+1/p-1",C18H24O3S.Na,,,,,,PYODKQIVQIVELM-UHFFFAOYSA-M,,,,,,,,,,,
100.045.022,249-540-0,29263-83-0,Diethyl chloroethylmalonate,diethyl chloro(ethyl)malonate,CCOC(=O)C(Cl)(CC)C(=O)OCC,CCOC(=O)C(Cl)(CC)C(=O)OCC,"InChI=1/C9H15ClO4/c1-4-9(10,7(11)13-5-2)8(12)14-6-3/h4-6H2,1-3H3",C9H15ClO4,,,,,,QDONGIRJVISTFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.023,249-541-6,29263-94-3,Diethyl bromomethylmalonate,diethyl bromo(methyl)malonate,CCOC(=O)C(C)(Br)C(=O)OCC,CCOC(=O)C(C)(Br)C(=O)OCC,"InChI=1/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3",C8H13BrO4,,,,,,CSLQAXTUGPUBCW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.912,220-802-6,3/04/2904,"N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-chloro-o-tolyl)azo]-3-oxobutyramide","N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-chloro-2-methylphenyl)diazenyl]-3-oxobutanamide",COc2cc(NC(=O)C(N=Nc1ccc(Cl)cc1C)C(C)=O)c(cc2Cl)OC,COc2cc(NC(=O)C(N=Nc1ccc(Cl)cc1C)C(C)=O)c(cc2Cl)OC,"InChI=1/C19H19Cl2N3O4/c1-10-7-12(20)5-6-14(10)23-24-18(11(2)25)19(26)22-15-9-16(27-3)13(21)8-17(15)28-4/h5-9,18H,1-4H3,(H,22,26)",C19H19Cl2N3O4,,,,,,NEPSDTXFAQMVCI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.925,220-816-2,9/12/2906,3-isopropoxypropylamine,3-isopropoxypropan-1-amine,CC(C)OCCCN,CC(C)OCCCN,"InChI=1/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3",C6H15NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8314,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.925,VHYUNSUGCNKWSO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.931,220-823-0,2909-52-6,Tribromo(2H)methane,bromoform,BrC(Br)Br,BrC(Br)Br,InChI=1/CHBr3/c2-1(3)4/h1H,CBr3D,,,,,,DIKBFYAXUHHXCS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.934,220-826-7,2912-62-1,Chloro(phenyl)acetyl chloride,chloro(phenyl)acetyl chloride,ClC(C(=O)Cl)c1ccccc1,ClC(C(=O)Cl)c1ccccc1,"InChI=1/C8H6Cl2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H",C8H6Cl2O,,,,,,FGEAOSXMQZWHIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.935,220-827-2,2/09/2914,"2,8-dichloro-1H-adenine","2,8-dichloro-1H-purin-6-amine",Nc1[nH]c(Cl)nc2nc(Cl)nc12,Nc1[nH]c(Cl)nc2nc(Cl)nc12,"InChI=1/C5H3Cl2N5/c6-4-9-1-2(8)10-5(7)12-3(1)11-4/h(H3,8,9,10,11,12)",C5H3Cl2N5,,,,,,KTWHRTDJQIMWMY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.937,220-829-3,2914-19-4,Barium diethanolate,barium diethanolate,[Ba+2].CC[O-].CC[O-],[Ba+2].CC[O-].CC[O-],"InChI=1/2C2H5O.Ba/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2",C2H6O.1/2Ba,,,,,,GYIWFHXWLCXGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.941,220-834-0,2915-52-8,Didodecyl maleate,didodecyl but-2-enedioate,CCCCCCCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCCCCCC,"InChI=1/C28H52O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3",C28H52O4,,,,,,HEJZJSIRBLOWPD-VHXPQNKSSA-N,,,,,,,,,,,
100.018.943,220-836-1,2915-57-3,Bis(2-ethylhexyl) succinate,bis(2-ethylhexyl) succinate,CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC,"InChI=1/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3",C20H38O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11469,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.943,WMNULTDOANGXRT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.944,220-837-7,2915-72-2,Dodecyl benzoate,dodecyl benzoate,CCCCCCCCCCCCOC(=O)c1ccccc1,CCCCCCCCCCCCOC(=O)c1ccccc1,"InChI=1/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3",C19H30O2,,,,,,DLAHAXOYRFRPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.934,218-627-5,2207-75-2,"Potassium 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylate","potassium 4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylate",[K+].[O-]C(=O)C1=NC(=O)NC(=O)N1,[K+].[O-]C(=O)C1=NC(=O)NC(=O)N1,"InChI=1/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1",C4H3N3O4.K,,,,,,IAPCTXZQXAVYNG-UHFFFAOYSA-M,,,,,,,,,,,
100.016.940,218-633-8,2208-89-1,Cyanourea,1-cyanourea,NC(=O)NC#N,NC(=O)NC#N,"InChI=1/C2H3N3O/c3-1-5-2(4)6/h(H3,4,5,6)",C2H3N3O,,,,,,GIVGDJZVMHYWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.944,218-638-5,2210-25-5,N-isopropylacrylamide,N-isopropylacrylamide,CC(C)NC(=O)C=C,CC(C)NC(=O)C=C,"InChI=1/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)",C6H11NO,,,,,,QNILTEGFHQSKFF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.950,218-644-8,2210-74-4,[(o-methoxyphenoxy)methyl]oxirane,2-[(2-methoxyphenoxy)methyl]oxirane,COc1ccccc1OCC2CO2,COc1ccccc1OCC2CO2,"InChI=1/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3",C10H12O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12632,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.950,RJNVSQLNEALZLC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.955,218-650-0,2211-64-5,Cyclohexylhydroxylamine,N-hydroxycyclohexanamine,ONC1CCCCC1,ONC1CCCCC1,"InChI=1/C6H13NO/c8-7-6-4-2-1-3-5-6/h6-8H,1-5H2",C6H13NO,,,,,,GUQRKZPMVLRXLT-UHFFFAOYSA-N,,,,,,,,,,,
100.016.956,218-651-6,2211-66-7,N-benzylidenecyclohexylamine,N-benzylidenecyclohexanamine,C(=NC1CCCCC1)c2ccccc2,C(=NC1CCCCC1)c2ccccc2,"InChI=1/C13H17N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2",C13H17N,,,,,,QKSQEJXIILKPDX-UHFFFAOYSA-N,,,,,,,,,,,
100.016.958,218-653-7,2211-94-1,"2,3-epoxypropyl 4'-methoxyphenyl ether",2-[(4-methoxyphenoxy)methyl]oxirane,COc1ccc(OCC2CO2)cc1,COc1ccc(OCC2CO2)cc1,"InChI=1/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3",C10H12O3,,,,,,AVWGFHZLPMLKBL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.960,218-655-8,7/05/2212,"4-chlorophenyl 2,3-epoxypropyl ether",2-[(4-chlorophenoxy)methyl]oxirane,Clc1ccc(OCC2CO2)cc1,Clc1ccc(OCC2CO2)cc1,"InChI=1/C9H9ClO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2",C9H9ClO2,,,,,,KSLSZOOZWRMSAP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.969,218-665-2,2213-32-3,"2,4-dimethylpent-1-ene","2,4-dimethylpent-1-ene",CC(C)CC(=C)C,CC(C)CC(=C)C,"InChI=1/C7H14/c1-6(2)5-7(3)4/h7H,1,5H2,2-4H3",C7H14,,,,,,LXQPBCHJNIOMQU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.972,218-668-9,2213-66-3,5-tert-butyl-3-methylpyrocatechol,"5-tert-butyl-3-methylbenzene-1,2-diol",Cc1cc(cc(O)c1O)C(C)(C)C,Cc1cc(cc(O)c1O)C(C)(C)C,"InChI=1/C11H16O2/c1-7-5-8(11(2,3)4)6-9(12)10(7)13/h5-6,12-13H,1-4H3",C11H16O2,,,,,,PMRGVXIRSTVLJS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.180,246-414-7,24690-33-3,"2-methyl-2-[[(2-methyl-1-oxoallyl)oxy]methyl]-1,3-propanediyl bismethacrylate",3-(methacryloyloxy)-2-[(methacryloyloxy)methyl]-2-methylpropyl methacrylate (non-preferred name),CC(=C)C(=O)OCC(C)(COC(=O)C(=C)C)COC(=O)C(=C)C,CC(=C)C(=O)OCC(C)(COC(=O)C(=C)C)COC(=O)C(=C)C,"InChI=1/C17H24O6/c1-11(2)14(18)21-8-17(7,9-22-15(19)12(3)4)10-23-16(20)13(5)6/h1,3,5,8-10H2,2,4,6-7H3",C17H24O6,,,,,,SWHLOXLFJPTYTL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.184,246-418-9,24691-18-7,"trans-3,3,5-trimethylcyclohexyl acetate","3,3,5-trimethylcyclohexyl acetate",C[C@H]1C[C@@H](CC(C)(C)C1)OC(=O)C,C[C@H]1C[C@@H](CC(C)(C)C1)OC(=O)C,"InChI=1/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3",C11H20O2,,,,,,OIVWFAFCHQDCCG-WPRPVWTQSA-N,,,,,,,,,,,
100.042.186,246-421-5,24691-80-3,2-methyl-3-furanilide,2-methyl-N-phenyl-3-furamide,Cc1occc1C(=O)Nc2ccccc2,Cc1occc1C(=O)Nc2ccccc2,"InChI=1/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)",C12H11NO2,,,,,,JFSPBVWPKOEZCB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.192,246-427-8,24717-86-0,"Endo-(±)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methylpropanoate",CC(C)C(=O)OC1CC2CCC1(C)C2(C)C,CC(C)C(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3",C14H24O2,,,,,,KRKIAJBQOUBNSE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.197,246-433-0,24729-96-2,"Methyl (2S-trans)-7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-L-threo-a-D-galacto-octopyranoside, 2-(dihydrogen phosphate)","methyl 7-chloro-6,7,8-trideoxy-6-{[(1-methyl-4-propylpiperidin-2-yl)carbonyl]amino}-2-O-phosphono-1-thiooctopyranoside",CCCC1CCN(C)C(C1)C(=O)NC(C(C)Cl)C2OC(SC)C(OP(=O)(O)O)C(O)C2O,CCCC1CCN(C)C(C1)C(=O)NC(C(C)Cl)C2OC(SC)C(OP(=O)(O)O)C(O)C2O,"InChI=1/C19H36ClN2O8PS/c1-5-6-11-7-8-22(3)12(9-11)18(25)21-13(10(2)20)16-14(23)15(24)17(19(29-16)32-4)30-31(26,27)28/h10-17,19,23-24H,5-9H2,1-4H3,(H,21,25)(H2,26,27,28)",C18H34ClN2O8PS,,,,,,GWSCQPFFPWPZFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.208,246-445-6,24742-30-1,4-[(4-ethoxybenzylidene)amino]benzonitrile,4-[(4-ethoxybenzylidene)amino]benzonitrile,CCOc1ccc(cc1)C=Nc2ccc(C#N)cc2,CCOc1ccc(cc1)C=Nc2ccc(C#N)cc2,"InChI=1/C16H14N2O/c1-2-19-16-9-5-14(6-10-16)12-18-15-7-3-13(11-17)4-8-15/h3-10,12H,2H2,1H3",C16H14N2O,,,,,,YFZISFITJTVAET-UHFFFAOYSA-N,,,,,,,,,,,
100.042.212,246-449-8,24762-58-1,"4,4'-propylidenebis[2-methoxyphenol]","4,4'-propane-1,1-diylbis(2-methoxyphenol)",CCC(c1ccc(O)c(OC)c1)c2ccc(O)c(OC)c2,CCC(c1ccc(O)c(OC)c1)c2ccc(O)c(OC)c2,"InChI=1/C17H20O4/c1-4-13(11-5-7-14(18)16(9-11)20-2)12-6-8-15(19)17(10-12)21-3/h5-10,13,18-19H,4H2,1-3H3",C17H20O4,,,,,,XEOJWUCFIDZEBK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.214,246-451-9,24765-53-5,"2-methyl-2-phenylpropane-1,3-diol","2-methyl-2-phenylpropane-1,3-diol",CC(CO)(CO)c1ccccc1,CC(CO)(CO)c1ccccc1,"InChI=1/C10H14O2/c1-10(7-11,8-12)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3",C10H14O2,,,,,,BHEIMYVOVVBWRL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.220,246-458-7,24781-13-3,3-phenylpropyl salicylate,3-phenylpropyl salicylate,Oc1ccccc1C(=O)OCCCc2ccccc2,Oc1ccccc1C(=O)OCCCc2ccccc2,"InChI=1/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2",C16H16O3,,,,,,GMHNYYKDPGWAJR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.037,249-556-8,29319-57-1,Isooctyl diphenyl phosphate,6-methylheptyl diphenyl phosphate,CC(C)CCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,CC(C)CCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C20H27O4P/c1-18(2)12-6-5-11-17-22-25(21,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3",C20H27O4P,,,,,,RCRYBQKHEDNBDN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.049,249-569-9,29337-68-6,"3-(trimethylsilyl)[2,2,3,3-2H4]propionic [2H]acid",3-(trimethylsilyl)propanoic acid,C[Si](C)(C)CCC(=O)O,C[Si](C)(C)CCC(=O)O,"InChI=1/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)",C6H9D5O2Si,,,,,,NONFLFDSOSZQHR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.052,249-573-0,29338-37-2,Bis(2-hydroxyethyl) glutarate,bis(2-hydroxyethyl) glutarate,OCCOC(=O)CCCC(=O)OCCO,OCCOC(=O)CCCC(=O)OCCO,"InChI=1/C9H16O6/c10-4-6-14-8(12)2-1-3-9(13)15-7-5-11/h10-11H,1-7H2",C9H16O6,,,,,,IDLCDDZNXSUZGD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.517,246-785-5,25276-70-4,Pentadecane-1-thiol,pentadecane-1-thiol,CCCCCCCCCCCCCCCS,CCCCCCCCCCCCCCCS,"InChI=1/C15H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3",C15H32S,,,,,,IGMQODZGDORXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.518,246-786-0,25277-18-3,"3-ethoxy-N,N-dimethylpropylamine","3-ethoxy-N,N-dimethylpropan-1-amine",CCOCCCN(C)C,CCOCCCN(C)C,"InChI=1/C7H17NO/c1-4-9-7-5-6-8(2)3/h4-7H2,1-3H3",C7H17NO,,,,,,XLAXYNXVOVMHMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.213,248-651-1,27773-65-5,"(3a,16a)-eburnamenine-14-carboxylic acid",eburnamenine-14-carboxylic acid,CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)O)c5ccccc45,CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)O)c5ccccc45,"InChI=1/C20H22N2O2/c1-2-20-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(17(14)18(20)21)16(12-20)19(23)24/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,23,24)",C20H22N2O2,,,,,,ZFCQLDAGNBFMJQ-QUCCMNQESA-N,,,,,,,,,,,
100.044.215,248-653-2,27775-00-4,Isononylamine,7-methyloctan-1-amine,CC(C)CCCCCCN,CC(C)CCCCCCN,"InChI=1/C9H21N/c1-9(2)7-5-3-4-6-8-10/h9H,3-8,10H2,1-2H3",C9H21N,,,,,,DZDVMKLYUKZMKK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.222,248-661-6,27795-22-8,Sodium (6R-trans)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)[O-],[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)[O-],"InChI=1/C10H12N2O5S.Na/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16;/h6,9H,2-3,11H2,1H3,(H,15,16);/q;+1/p-1",C10H12N2O5S.xNa,,,,,,PVCIUMOLXPZFHR-YDYUUSCQSA-M,,,,,,,,,,,
100.040.928,245-038-0,22499-11-2,2-butoxy-2-phenylacetophenone,"2-butoxy-1,2-diphenylethanone",CCCCOC(C(=O)c1ccccc1)c2ccccc2,CCCCOC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C18H20O2/c1-2-3-14-20-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h4-13,18H,2-3,14H2,1H3",C18H20O2,,,,,,DZZAHLOABNWIFA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.929,245-039-6,22499-12-3,O-isobutylbenzoin,"2-isobutoxy-1,2-diphenylethanone",CC(C)COC(C(=O)c1ccccc1)c2ccccc2,CC(C)COC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3",C18H20O2,,,,,,JMVZGKVGQDHWOI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.940,245-051-1,22524-99-8,"4,5-dihydro-3H-1,2,4-triazole-3-thione","4,5-dihydro-3H-1,2,4-triazole-3-thione",S=C1NCN=N1,S=C1NCN=N1,"InChI=1/C2H3N3S/c6-2-3-1-4-5-2/h1H2,(H,3,6)",C2H3N3S,,,,,,CAEQSGPURHVZNG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.949,245-061-6,22535-42-8,"Isopropyl (Z,Z)-9,9-dibutyl-2-methyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate","isopropyl 9,9-dibutyl-2-methyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",CCCC[Sn](CCCC)(OC(=O)\\C=C/C(=O)OC(C)C)OC(=O)\\C=C/C(=O)OC(C)C,CCCC[Sn](CCCC)(OC(=O)\C=C/C(=O)OC(C)C)OC(=O)\C=C/C(=O)OC(C)C,"InChI=1/2C7H10O4.2C4H9.Sn/c2*1-5(2)11-7(10)4-3-6(8)9;2*1-3-4-2;/h2*3-5H,1-2H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H36O8Sn/c1-7-9-15-31(16-10-8-2,29-21(25)13-11-19(23)27-17(3)4)30-22(26)14-12-20(24)28-18(5)6/h11-14,17-18H,7-10,15-16H2,1-6H3",C22H36O8Sn,,,,,,QWKDQXNGJACGFP-VGKOASNMSA-L,,,,,,,,,,,
100.040.951,245-063-7,22535-53-1,4'-acetylacrylanilide,N-(4-acetylphenyl)acrylamide,CC(=O)c1ccc(NC(=O)C=C)cc1,CC(=O)c1ccc(NC(=O)C=C)cc1,"InChI=1/C11H11NO2/c1-3-11(14)12-10-6-4-9(5-7-10)8(2)13/h3-7H,1H2,2H3,(H,12,14)",C11H11NO2,,,,,,DZFGSPKLORYTIN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.954,245-066-3,22537-97-9,Di-tert-butyl peroxyundecanedioate,di-tert-butyl undecanediperoxoate,CC(C)(C)OOC(=O)CCCCCCCCCC(=O)OOC(C)(C)C,CC(C)(C)OOC(=O)CCCCCCCCCC(=O)OOC(C)(C)C,"InChI=1/C19H36O6/c1-18(2,3)24-22-16(20)14-12-10-8-7-9-11-13-15-17(21)23-25-19(4,5)6/h7-15H2,1-6H3",C19H36O6,,,,,,BDBMXXHUXJLRBM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.956,245-068-4,22543-26-6,"2,2-dichloro-N,N-dimethyl-3-oxobutyramide","2,2-dichloro-N,N-dimethyl-3-oxobutanamide",CN(C)C(=O)C(Cl)(Cl)C(=O)C,CN(C)C(=O)C(Cl)(Cl)C(=O)C,"InChI=1/C6H9Cl2NO2/c1-4(10)6(7,8)5(11)9(2)3/h1-3H3",C6H9Cl2NO2,,,,,,VZYZILNMQDUERW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.960,245-073-1,22551-26-4,"3-methylthiopropane-1,2-diol","3-(methylsulfanyl)propane-1,2-diol",CSCC(O)CO,CSCC(O)CO,"InChI=1/C4H10O2S/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3",C4H10O2S,,,,,,FXIHXPKPLPKPJH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.962,245-075-2,22556-08-7,"[1S-(1a,3ß,4a,6a)]-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol","3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol",CC1(C)C2CC(O)C(C)(O)CC12,CC1(C)C2CC(O)C(C)(O)CC12,"InChI=1/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3",C10H18O2,,,,,,AHVKNBRJVKCGKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.965,245-078-9,22560-50-5,Disodium dihydrogen (dichloromethylene)diphosphonate,disodium dihydrogen (dichloromethylene)bis(phosphonate),[Na+].[Na+].[O-]P(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-],[Na+].[Na+].[O-]P(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-],"InChI=1/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-4",CH4Cl2O6P2.2Na,,,,,,HJKBJIYDJLVSAO-UHFFFAOYSA-J,,,,,,,,,,,
100.040.967,245-081-5,22561-74-6,Barium di-D-gluconate,"barium bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",OCC(O)C(O)C(O)C(O)C(=O)O[Ba]OC(=O)C(O)C(O)C(O)C(O)CO,OCC(O)C(O)C(O)C(O)C(=O)O[Ba]OC(=O)C(O)C(O)C(O)C(O)CO,"InChI=1/2C6H12O7.Ba/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C6H12O7.1/2Ba,,,,,,PECPTSUHUFWKDG-UHFFFAOYSA-L,,,,,,,,,,,
100.045.395,249-951-5,29911-28-2,1-(2-butoxy-1-methylethoxy)propan-2-ol,1-(2-butoxy-1-methylethoxy)propan-2-ol,CCCCOCC(C)OCC(C)O,CCCCOCC(C)OCC(C)O,"InChI=1/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3",C10H22O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14152,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.395,CUVLMZNMSPJDON-UHFFFAOYSA-N,,,,,,,,,,,
100.045.031,249-550-5,29311-94-2,"1,4-bis[(3-chloro-2-hydroxypropyl)amino]anthraquinone","1,4-bis[(3-chloro-2-hydroxypropyl)amino]-9,10-anthraquinone",OC(CCl)CNc1ccc(NCC(O)CCl)c2C(=O)c3ccccc3C(=O)c12,OC(CCl)CNc1ccc(NCC(O)CCl)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H20Cl2N2O4/c21-7-11(25)9-23-15-5-6-16(24-10-12(26)8-22)18-17(15)19(27)13-3-1-2-4-14(13)20(18)28/h1-6,11-12,23-26H,7-10H2",C20H20Cl2N2O4,,,,,,SYZOCKFTUCTLFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.042,249-562-0,29329-99-5,"1,2-diphenyl-1H-indole-3-carbaldehyde","1,2-diphenyl-1H-indole-3-carbaldehyde",O=Cc1c(c2ccccc2)n(c3ccccc3)c4ccccc14,O=Cc1c(c2ccccc2)n(c3ccccc3)c4ccccc14,InChI=1/C21H15NO/c23-15-19-18-13-7-8-14-20(18)22(17-11-5-2-6-12-17)21(19)16-9-3-1-4-10-16/h1-15H,C21H15NO,,,,,,VSWUURYDUFEIQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.044,249-564-1,29330-49-2,"1-(2,5-dichlorophenyl)-3-methyl-4-[(o-nitrophenyl)azo]-2-pyrazolin-5-one","2-(2,5-dichlorophenyl)-5-methyl-4-[(2-nitrophenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c3ccccc3N=NC2C(\\C)=N/N(c1cc(Cl)ccc1Cl)C2=O,[O-][N+](=O)c3ccccc3N=NC2C(\C)=N/N(c1cc(Cl)ccc1Cl)C2=O,"InChI=1/C16H11Cl2N5O3/c1-9-15(20-19-12-4-2-3-5-13(12)23(25)26)16(24)22(21-9)14-8-10(17)6-7-11(14)18/h2-8,15H,1H3",C16H11Cl2N5O3,,,,,,GUOHODXWACDJHL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.050,249-570-4,29337-98-2,3-[[[4-[(2-furoyl)amino]-3-hydroxyphenyl]amino]carbonyl]nonadec-5-enoic acid,3-{[4-(2-furoylamino)-3-hydroxyphenyl]carbamoyl}nonadec-5-enoic acid,O=C(Nc1ccc(NC(=O)C(CC(O)=O)CC=CCCCCCCCCCCCCC)cc1O)c2ccco2,O=C(Nc1ccc(NC(=O)C(CC(O)=O)CC=CCCCCCCCCCCCCC)cc1O)c2ccco2,"InChI=1/C31H44N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24(22-29(35)36)30(37)32-25-19-20-26(27(34)23-25)33-31(38)28-18-16-21-39-28/h14-16,18-21,23-24,34H,2-13,17,22H2,1H3,(H,32,37)(H,33,38)(H,35,36)",C31H44N2O6,,,,,,LWPNEFYVMBUAID-UHFFFAOYSA-N,,,,,,,,,,,
100.045.051,249-572-5,29338-36-1,(2-hydroxyethyl) hydrogen glutarate,5-(2-hydroxyethoxy)-5-oxopentanoic acid,OCCOC(=O)CCCC(=O)O,OCCOC(=O)CCCC(=O)O,"InChI=1/C7H12O5/c8-4-5-12-7(11)3-1-2-6(9)10/h8H,1-5H2,(H,9,10)",C7H12O5,,,,,,VCGUYZUZNZHTGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.512,246-779-2,25268-77-3,2-[[(heptadecafluorooctyl)sulphonyl]methylamino]ethyl acrylate,2-{[(heptadecafluorooctyl)sulfonyl](methyl)amino}ethyl acrylate,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H10F17NO4S/c1-3-6(33)36-5-4-32(2)37(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h3H,1,4-5H2,2H3",C14H10F17NO4S,,,,,,RTJZWOGSCLVJLD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.514,246-781-3,25275-06-3,Bis[4-(diethylamino)phenyl][4-(diethylammonio)phenyl]methylium,bis[4-(diethylamino)phenyl][4-(diethylammonio)phenyl]methylium,CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2)N(CC)CC)c3ccc(cc3)[NH+](CC)CC,CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2)N(CC)CC)c3ccc(cc3)[NH+](CC)CC,"InChI=1/C31H43N3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24,31H,7-12H2,1-6H3/q+1/p+1",C31H42N3,,,,,,VYYRJGKHDDYUGK-UHFFFAOYSA-O,,,,,,,,,,,
100.042.521,246-789-7,25282-76-2,"1-amino-5-(benzylamino)-2-bromo-4,8-dihydroxyanthraquinone","1-amino-5-(benzylamino)-2-bromo-4,8-dihydroxy-9,10-anthraquinone",Nc1c(Br)cc(O)c2C(=O)c3c(NCc4ccccc4)ccc(O)c3C(=O)c12,Nc1c(Br)cc(O)c2C(=O)c3c(NCc4ccccc4)ccc(O)c3C(=O)c12,"InChI=1/C21H15BrN2O4/c22-11-8-14(26)17-18(19(11)23)21(28)16-13(25)7-6-12(15(16)20(17)27)24-9-10-4-2-1-3-5-10/h1-8,24-26H,9,23H2",C21H15BrN2O4,,,,,,XXFUGAVMGSHTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.524,246-792-3,25291-67-2,"N,N'-bis(2-aminoethyl)ethylenediamine sulphate (1:2)","N,N'-bis(2-aminoethyl)ethylenediamine sulphate (1:2)",NCCNCCNCCN.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],NCCNCCNCCN.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/C6H18N4.2H2O4S/c7-1-3-9-5-6-10-4-2-8;2*1-5(2,3)4/h9-10H,1-8H2;2*(H2,1,2,3,4)/p-4",C6H18N4.2H2O4S,,,,,,JHJMZSFXRNINSD-UHFFFAOYSA-J,,,,,,,,,,,
100.042.526,246-794-4,25295-51-6,"Disodium 4,4'-bis[[4-amino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-amino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].Nc1nc(NCCO)nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(N)nc(NCCO)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,[Na+].[Na+].Nc1nc(NCCO)nc(Nc2ccc(\C=C\c3ccc(Nc4nc(N)nc(NCCO)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,"InChI=1/C24H28N12O8S2.2Na/c25-19-31-21(27-7-9-37)35-23(33-19)29-15-5-3-13(17(11-15)45(39,40)41)1-2-14-4-6-16(12-18(14)46(42,43)44)30-24-34-20(26)32-22(36-24)28-8-10-38;;/h1-6,11-12,37-38H,7-10H2,(H,39,40,41)(H,42,43,44)(H4,25,27,29,31,33,35)(H4,26,28,30,32,34,36);;/q;2*+1/p-2",C24H28N12O8S2.2Na,,,,,,QHBWLNCWLAEYIE-SEPHDYHBSA-L,,,,,,,,,,,
100.042.530,246-799-1,25304-14-7,"1-(3,3-dimethylcyclohexyl)ethan-1-one","1-(3,3-dimethylcyclohexyl)ethanone",CC(=O)C1CCCC(C)(C)C1,CC(=O)C1CCCC(C)(C)C1,"InChI=1/C10H18O/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3",C10H18O,,,,,,DXIWBWIDAYBUDF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.975,218-672-0,2213-81-2,"4-tert-butyl-2,6-dinitrochlorobenzene","5-tert-butyl-2-chloro-1,3-dinitrobenzene",CC(C)(C)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],CC(C)(C)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H11ClN2O4/c1-10(2,3)6-4-7(12(14)15)9(11)8(5-6)13(16)17/h4-5H,1-3H3",C10H11ClN2O4,,,,,,FRFMLDNFLXIDSH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.978,218-675-7,2214-82-6,Bis(dimethylamino)acetonitrile,bis(dimethylamino)acetonitrile,CN(C)C(C#N)N(C)C,CN(C)C(C#N)N(C)C,"InChI=1/C6H13N3/c1-8(2)6(5-7)9(3)4/h6H,1-4H3",C6H13N3,,,,,,YYIDBCAXHPPALW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.979,218-676-2,2215-20-5,5-phenyl-4-thiohydantoic acid,1-phenyl-2-thioxoimidazolidin-4-one,O=C1CN(C(=S)N1)c2ccccc2,O=C1CN(C(=S)N1)c2ccccc2,"InChI=1/C9H8N2OS/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)",C9H10N2O2S,,,,,,PQMRRAQXKWFYQN-UHFFFAOYSA-N,,,,,,,,,,,
100.016.982,218-679-9,2215-35-2,"Zinc O,O,O',O'-tetrakis(1,3-dimethylbutyl) bis(phosphorodithioate)","zinc bis[O,O-bis(1,3-dimethylbutyl) dithiophosphate]",[Zn+2].CC(C)CC(C)OP(=S)([S-])OC(C)CC(C)C.CC(C)CC(C)OP(=S)([S-])OC(C)CC(C)C,[Zn+2].CC(C)CC(C)OP(=S)([S-])OC(C)CC(C)C.CC(C)CC(C)OP(=S)([S-])OC(C)CC(C)C,"InChI=1/2C12H27O2PS2.Zn/c2*1-9(2)7-11(5)13-15(16,17)14-12(6)8-10(3)4;/h2*9-12H,7-8H2,1-6H3,(H,16,17);/q;;+2/p-2",C12H27O2PS2.1/2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14513,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.982,SVGYUUVJEMDZDP-UHFFFAOYSA-L,,,,,,,,,,,
100.020.358,222-392-4,3458-28-4,D-mannose,D-mannose,O[C@H]([C@H](O)C=O)[C@H](O)[C@H](O)CO,O[C@H]([C@H](O)C=O)[C@H](O)[C@H](O)CO,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-KVTDHHQDSA-N,,,,,,,,,,,
100.020.371,222-406-9,3460-37-5,Hexyl stearate,hexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCC,"InChI=1/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h3-23H2,1-2H3",C24H48O2,,,,,,SMWDEDPRQFUXNH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.875,224-062-5,4187-71-7,"Sodium 1,4-dihydroxy-2-butene-2-sulphonate","sodium 1,4-dihydroxybut-2-ene-2-sulfonate",[Na+].[O-]S(=O)(=O)C(=CCO)CO,[Na+].[O-]S(=O)(=O)C(=CCO)CO,"InChI=1/C4H8O5S.Na/c5-2-1-4(3-6)10(7,8)9;/h1,5-6H,2-3H2,(H,7,8,9);/q;+1/p-1",C4H8O5S.Na,,,,,,ABCMRFDMEWGWOG-UHFFFAOYSA-M,,,,,,,,,,,
100.021.889,224-077-7,4195-60-2,Calcium dipotassium dicarbonate,calcium dipotassium dicarbonate,[K+].[K+].[Ca+2].[O-]C(=O)[O-].[O-]C(=O)[O-],[K+].[K+].[Ca+2].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/2CH2O3.Ca.2K/c2*2-1(3)4;;;/h2*(H2,2,3,4);;;/q;;+2;2*+1/p-4",CH2O3.1/2Ca.K,,,,,,FTMOEEJQSGJJMS-UHFFFAOYSA-J,,,,,,,,,,,
100.021.891,224-079-8,4196-86-5,Pentaerythritol tetrabenzoate,"3-(benzoyloxy)-2,2-bis[(benzoyloxy)methyl]propyl benzoate",O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4,O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4,"InChI=1/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2",C33H28O8,,,,,,MINJAOUGXYRTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.901,224-090-8,4197-79-9,2-isobutyl-p-benzoquinone,"2-isobutyl-1,4-benzoquinone",CC(C)CC1=CC(=O)C=CC1=O,CC(C)CC1=CC(=O)C=CC1=O,"InChI=1/C10H12O2/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6-7H,5H2,1-2H3",C10H12O2,,,,,,OHNSLFRMOCCULR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.903,224-092-9,4198-33-8,(S)-chlorosuccinic acid,4-chloro-4-oxobutanoic acid,OC(=O)CCC(Cl)=O,OC(=O)CCC(Cl)=O,"InChI=1/C4H5ClO3/c5-3(6)1-2-4(7)8/h1-2H2,(H,7,8)",C4H5ClO4,,,,,,MMZMROHDQCJAJT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.942,221-935-2,7/02/3285,Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-one,5-methyl-5-(3-methylbutyl)dihydrofuran-2(3H)-one,CC(C)CCC1(C)CCC(=O)O1,CC(C)CCC1(C)CCC(=O)O1,"InChI=1/C10H18O2/c1-8(2)4-6-10(3)7-5-9(11)12-10/h8H,4-7H2,1-3H3",C10H18O2,,,,,,ISDHGLPSHGTVBV-UHFFFAOYSA-N,,,,,,,,,,,
100.019.955,221-949-9,3290-70-8,"2,4,4,4-tetrachlorobutan-1-ol","2,4,4,4-tetrachlorobutan-1-ol",OCC(Cl)CC(Cl)(Cl)Cl,OCC(Cl)CC(Cl)(Cl)Cl,"InChI=1/C4H6Cl4O/c5-3(2-9)1-4(6,7)8/h3,9H,1-2H2",C4H6Cl4O,,,,,,PHPDBVLDVIRSHU-UHFFFAOYSA-N,,,,,,,,,,,
100.019.965,221-960-9,3294-57-3,Phenyl(trichloromethyl)mercury,phenyl(trichloromethyl)mercury,ClC(Cl)(Cl)[Hg]c1ccccc1,ClC(Cl)(Cl)[Hg]c1ccccc1,"InChI=1/C6H5.CCl3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/rC7H5Cl3Hg/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H",C7H5Cl3Hg,,,,,,MVIAEGXPYBMVPT-UHFFFAOYSA-N,,,,,,,,,,,
100.019.970,221-966-1,3296-45-5,2-oxo-cyclopentanepropionic acid,3-(2-oxocyclopentyl)propanoic acid,OC(=O)CCC1CCCC1=O,OC(=O)CCC1CCCC1=O,"InChI=1/C8H12O3/c9-7-3-1-2-6(7)4-5-8(10)11/h6H,1-5H2,(H,10,11)",C8H12O3,,,,,,QKUUVUYXBIXFFX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.972,221-968-2,6/05/3299,(1-ethoxyethyl)benzene,(1-ethoxyethyl)benzene,CCOC(C)c1ccccc1,CCOC(C)c1ccccc1,"InChI=1/C10H14O/c1-3-11-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",C10H14O,,,,,,MVTKJCAAJPVUHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.019.975,221-971-9,3300-51-4,4-(trifluoromethyl)benzylamine,1-[4-(trifluoromethyl)phenyl]methanamine,NCc1ccc(cc1)C(F)(F)F,NCc1ccc(cc1)C(F)(F)F,"InChI=1/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2",C8H8F3N,,,,,,PRDBLLIPPDOICK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.535,246-804-7,25305-97-9,"[4-[(2-chlorophenyl)[4-[ethyl[(3-sulphonatophenyl)methyl]ammonio]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium","3-{[{4-[(2-chlorophenyl){4-[ethyl(3-sulfonatobenzyl)ammonio]phenyl}methylene]cyclohexa-2,5-dien-1-ylidene}(ethyl)ammonio]methyl}benzenesulfonate",[O-]S(=O)(=O)c1cccc(c1)C[NH+](CC)c2ccc(cc2)C(\\c3ccccc3Cl)=C4\\C=C/C(/C=C4)=[N+](Cc5cccc(c5)S([O-])(=O)=O)CC,[O-]S(=O)(=O)c1cccc(c1)C[NH+](CC)c2ccc(cc2)C(\c3ccccc3Cl)=C4\C=C/C(/C=C4)=[N+](Cc5cccc(c5)S([O-])(=O)=O)CC,"InChI=1/C37H35ClN2O6S2/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46)",C37H35ClN2O6S2,,,,,,KZMRYBLIGYQPPP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.539,246-808-9,25308-82-1,"1,1,1-trichloro-4-methylpent-4-en-2-ol","1,1,1-trichloro-4-methylpent-4-en-2-ol",CC(=C)CC(O)C(Cl)(Cl)Cl,CC(=C)CC(O)C(Cl)(Cl)Cl,"InChI=1/C6H9Cl3O/c1-4(2)3-5(10)6(7,8)9/h5,10H,1,3H2,2H3",C6H9Cl3O,,,,,,LWWJZSNCITZYEB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.543,246-813-6,25311-20-0,"4-[4-[[2,5-dimethoxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[(2,5-dimethoxy-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1OC)N=NC3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,OS(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1OC)N=NC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,"InChI=1/C20H22N4O12S3/c1-12-19(20(25)24(23-12)13-4-6-14(7-5-13)38(28,29)30)22-21-15-10-17(35-3)18(11-16(15)34-2)37(26,27)9-8-36-39(31,32)33/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)",C20H22N4O12S3,,,,,,DXCCMFSEQJYYIA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.130,249-658-2,29472-96-6,"2,6-bis(1-methylpropyl)-m-cresol","2,6-di-sec-butyl-3-methylphenol",CCC(C)c1ccc(C)c(C(C)CC)c1O,CCC(C)c1ccc(C)c(C(C)CC)c1O,"InChI=1/C15H24O/c1-6-10(3)13-9-8-12(5)14(15(13)16)11(4)7-2/h8-11,16H,6-7H2,1-5H3",C15H24O,,,,,,VTCAMIHYZSBDHC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.135,249-664-5,29481-59-2,Butyldodecyldimethylammonium chloride,"N-butyl-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)CCCC,[Cl-].CCCCCCCCCCCC[N+](C)(C)CCCC,"InChI=1/C18H40N.ClH/c1-5-7-9-10-11-12-13-14-15-16-18-19(3,4)17-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1",C18H40N.Cl,,,,,,HRMYTGOXAPPTIX-UHFFFAOYSA-M,,,,,,,,,,,
100.045.137,249-666-6,29490-12-8,2-[[2-(ethylthio)ethyl]thio]-1H-benzimidazole-5-sulphonic acid,2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-1H-benzimidazole-5-sulfonic acid,CCSCCSc1nc2cc(ccc2[nH]1)S(=O)(=O)O,CCSCCSc1nc2cc(ccc2[nH]1)S(=O)(=O)O,"InChI=1/C11H14N2O3S3/c1-2-17-5-6-18-11-12-9-4-3-8(19(14,15)16)7-10(9)13-11/h3-4,7H,2,5-6H2,1H3,(H,12,13)(H,14,15,16)",C11H14N2O3S3,,,,,,UJPJKGTWFDTGSN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.138,249-667-1,29490-19-5,"5-methyl-1,3,4-thiadiazole-2(3H)-thione","5-methyl-1,3,4-thiadiazole-2(3H)-thione",CC1=NNC(=S)S1,CC1=NNC(=S)S1,"InChI=1/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)",C3H4N2S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18723,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.138,FPVUWZFFEGYCGB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.145,249-675-5,29512-46-7,"6'-(diethylamino)-2'-(phenylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C30H26N2O3/c1-3-32(4-2)22-15-16-25-28(19-22)34-27-17-14-21(31-20-10-6-5-7-11-20)18-26(27)30(25)24-13-9-8-12-23(24)29(33)35-30/h5-19,31H,3-4H2,1-2H3",C30H26N2O3,,,,,,SVTBGPICDZDBFU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.146,249-676-0,29512-49-0,"2'-anilino-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3",C31H28N2O3,,,,,,WQFYAGVHZYFXDO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.155,249-686-5,29540-81-6,1-[(trifluoromethyl)sulphonyl]-1H-imidazole,1-[(trifluoromethyl)sulfonyl]-1H-imidazole,FC(F)(F)S(=O)(=O)n1ccnc1,FC(F)(F)S(=O)(=O)n1ccnc1,"InChI=1/C4H3F3N2O2S/c5-4(6,7)12(10,11)9-2-1-8-3-9/h1-3H",C4H3F3N2O2S,,,,,,YGABUCCNCBMODG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.156,249-687-0,29546-59-6,Ciclonium bromide,"2-(1-bicyclo[2.2.1]hept-5-en-2-yl-1-phenylethoxy)-N,N-diethyl-N-methylethanaminium bromide",[Br-].CC[N+](C)(CC)CCOC(C)(C1CC2CC1C=C2)c3ccccc3,[Br-].CC[N+](C)(CC)CCOC(C)(C1CC2CC1C=C2)c3ccccc3,"InChI=1/C22H34NO.BrH/c1-5-23(4,6-2)14-15-24-22(3,20-10-8-7-9-11-20)21-17-18-12-13-19(21)16-18;/h7-13,18-19,21H,5-6,14-17H2,1-4H3;1H/q+1;/p-1",C22H34NO.Br,,,,,,BOCNKEKVCTZYIX-UHFFFAOYSA-M,,,,,,,,,,,
100.045.158,249-689-1,29548-30-9,"3,7,11-trimethyldodeca-2,6,10-trienyl acetate","3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate",C/C(C)=C\\CCC(C)=CCCC(C)=CCOC(C)=O,C/C(C)=C\CCC(C)=CCCC(C)=CCOC(C)=O,"InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3",C17H28O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16388,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.158,ZGIGZINMAOQWLX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.162,249-693-3,29555-02-0,2-methylcyclopropanecarboxylic acid,2-methylcyclopropanecarboxylic acid,CC1CC1C(=O)O,CC1CC1C(=O)O,"InChI=1/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)",C5H8O2,,,,,,AYEGPMGNMOIHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.399,249-955-7,29920-31-8,"Dimethyl 5-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azoterephthalate","dimethyl 5-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)isophthalate",COC(=O)c1cc(cc(c1)C(=O)OC)N=NC(C(=O)C)C(=O)Nc2ccc3NC(=O)Nc3c2,COC(=O)c1cc(cc(c1)C(=O)OC)N=NC(C(=O)C)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C21H19N5O7/c1-10(27)17(18(28)22-13-4-5-15-16(9-13)24-21(31)23-15)26-25-14-7-11(19(29)32-2)6-12(8-14)20(30)33-3/h4-9,17H,1-3H3,(H,22,28)(H2,23,24,31)",C21H19N5O7,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10984,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.399,IHRACTUONPFMSI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.402,249-958-3,29923-31-7,Sodium hydrogen N-(1-oxododecyl)-L-glutamate,sodium hydrogen 2-(dodecanoylamino)pentanedioate,[Na+].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C17H31NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-2",C17H31NO5.Na,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7619,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.402,IWIUXJGIDSGWDN-UQKRIMTDSA-L,,,,,,,,,,,
100.045.406,249-963-0,29935-35-1,Lithium hexafluoroarsenate,lithium hexafluoroarsenate(1-),[Li+].F[As-](F)(F)(F)(F)F,[Li+].F[As-](F)(F)(F)(F)F,"InChI=1/AsF6.Li/c2-1(3,4,5,6)7;/q-1;+1",AsF6.Li,,,,,,GTZQZEYBOGZTEO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.418,249-976-1,29962-76-3,Isothiocyanatonaphthalene,1-isothiocyanatonaphthalene,S=C=Nc1cccc2ccccc12,S=C=Nc1cccc2ccccc12,InChI=1/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,C11H7NS,,,,,,JBDOSUUXMYMWQH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.422,249-980-3,29968-78-3,4-nitrophenethylamine hydrochloride,2-(4-nitrophenyl)ethanamine hydrochloride,Cl.NCCc1ccc(cc1)[N+](=O)[O-],Cl.NCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H",C8H10N2O2.ClH,,,,,,JVMHULJEYUQYSH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.423,249-981-9,29973-13-5,Ethiofencarb,2-[(ethylsulfanyl)methyl]phenyl methylcarbamate,CCSCc1ccccc1OC(=O)NC,CCSCc1ccccc1OC(=O)NC,"InChI=1/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",C11H15NO2S,,,,,,HEZNVIYQEUHLNI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.432,249-991-3,29988-16-7,Dioctylphenol,"2,3-dioctylphenol",CCCCCCCCc1cccc(O)c1CCCCCCCC,CCCCCCCCc1cccc(O)c1CCCCCCCC,"InChI=1/C22H38O/c1-3-5-7-9-11-13-16-20-17-15-19-22(23)21(20)18-14-12-10-8-6-4-2/h15,17,19,23H,3-14,16,18H2,1-2H3",C22H38O,,,,,,IXKVYSRDIVLASR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.440,250-000-1,30006-30-5,Methyl 2-[(1-oxobutyl)amino]benzoate,methyl 2-(butyrylamino)benzoate,CCCC(=O)Nc1ccccc1C(=O)OC,CCCC(=O)Nc1ccccc1C(=O)OC,"InChI=1/C12H15NO3/c1-3-6-11(14)13-10-8-5-4-7-9(10)12(15)16-2/h4-5,7-8H,3,6H2,1-2H3,(H,13,14)",C12H15NO3,,,,,,MNUMHOYHSWYZPB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.441,250-001-7,30007-47-7,"5-bromo-5-nitro-1,3-dioxane","5-bromo-5-nitro-1,3-dioxane",[O-][N+](=O)C1(Br)COCOC1,[O-][N+](=O)C1(Br)COCOC1,InChI=1/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2,C4H6BrNO4,,,,,,XVBRCOKDZVQYAY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.274,246-518-2,24890-70-8,"7-[3-(benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","7-[3-(benzylamino)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCCNCc3ccccc3)c2C1=O,CN1C(=O)N(C)c2ncn(CCCNCc3ccccc3)c2C1=O,"InChI=1/C17H21N5O2/c1-20-15-14(16(23)21(2)17(20)24)22(12-19-15)10-6-9-18-11-13-7-4-3-5-8-13/h3-5,7-8,12,18H,6,9-11H2,1-2H3",C17H21N5O2,,,,,,OVKWXBYMGXFCRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.276,246-520-3,24903-95-5,"6,6-dimethylbicyclo[3.1.1]heptan-2-one","6,6-dimethylbicyclo[3.1.1]heptan-2-one",CC1(C)C2CCC(=O)C1C2,CC1(C)C2CCC(=O)C1C2,"InChI=1/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3",C9H14O,,,,,,XZFDKWMYCUEKSS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.280,246-525-0,24910-63-2,"3,4-dimethylpent-2-ene","3,4-dimethylpent-2-ene",CC(C)C(C)=CC,CC(C)C(C)=CC,"InChI=1/C7H14/c1-5-7(4)6(2)3/h5-6H,1-4H3",C7H14,,,,,,PPBWEVVDSRKEIK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.281,246-526-6,24910-74-5,"Disodium 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulphonatophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1c(N)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Cc1c(N)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C23H21N3O8S2.2Na/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28;;/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C23H21N3O8S2.2Na,,,,,,IOXGVKGDAGIFSV-UHFFFAOYSA-L,,,,,,,,,,,
100.042.283,246-528-7,24911-88-4,"1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane hydroiodide","1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane hydroiodide",I.C1N2CN3CN(CN1C3)C2,I.C1N2CN3CN(CN1C3)C2,InChI=1/C6H12N4.HI/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h1-6H2;1H,C6H12N4.xHI,,,,,,REYPXKZACPANQX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.287,246-532-9,24923-51-1,Tetraallyloxirane,tetraallyloxirane,C=CCC1(CC=C)OC1(CC=C)CC=C,C=CCC1(CC=C)OC1(CC=C)CC=C,"InChI=1/C14H20O/c1-5-9-13(10-6-2)14(15-13,11-7-3)12-8-4/h5-8H,1-4,9-12H2",C14H20O,,,,,,DPRYWFZTIZNBKU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.532,246-801-0,25305-87-7,"Hydrogen [4-[[4-(diethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]methylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium","hydrogen 3-({[4-([4-(diethylamino)phenyl]{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate",[H+].C\\C4=C\\C(\\C=C/C4=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(Cc3cccc(c3)S([O-])(=O)=O)CC)=[N+](CC)Cc5cccc(c5)S([O-])(=O)=O,[H+].C\C4=C\C(\C=C/C4=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(Cc3cccc(c3)S([O-])(=O)=O)CC)=[N+](CC)Cc5cccc(c5)S([O-])(=O)=O,"InChI=1/C43H49N3O6S2.H2/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);1H/q;+1/p-1",C43H49N3O6S2,,,,,,WYDXPOIAYSTTES-UHFFFAOYSA-N,,,,,,,,,,,
100.042.533,246-802-6,25305-93-5,6-[(4-aminophenyl)azo]-5-hydroxynaphthalene-1-sulphonic acid,6-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonic acid,OS(=O)(=O)c3cccc2c3ccc(N=Nc1ccc(N)cc1)c2O,OS(=O)(=O)c3cccc2c3ccc(N=Nc1ccc(N)cc1)c2O,"InChI=1/C16H13N3O4S/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23/h1-9,20H,17H2,(H,21,22,23)",C16H13N3O4S,,,,,,ANQQFIVHXBBRHV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.536,246-805-2,25306-75-6,Sodium O-isobutyl dithiocarbonate,sodium O-isobutyl dithiocarbonate,[Na+].CC(C)COC(=S)[S-],[Na+].CC(C)COC(=S)[S-],"InChI=1/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1",C5H10OS2.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15855,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.536,FLVLHHSRQUTOJM-UHFFFAOYSA-M,,,,,,,,,,,
100.042.542,246-812-0,25310-97-8,4-[(4-chloro-3-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid,4-[(4-chloro-3-sulfophenyl)diazenyl]-3-hydroxy-2-naphthoic acid,O=S(O)(=O)c1cc(ccc1Cl)N=Nc2c3ccccc3cc(C(O)=O)c2O,O=S(O)(=O)c1cc(ccc1Cl)N=Nc2c3ccccc3cc(C(O)=O)c2O,"InChI=1/C17H11ClN2O6S/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23/h1-8,21H,(H,22,23)(H,24,25,26)",C17H11ClN2O6S,,,,,,RVFIOAXBXFMIQE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.136,249-665-0,29490-03-7,2-[(methylthio)methyl]-1H-benzimidazole-5-sulphonic acid,2-[(methylsulfanyl)methyl]-1H-benzimidazole-5-sulfonic acid,CSCc1nc2cc(ccc2[nH]1)S(=O)(=O)O,CSCc1nc2cc(ccc2[nH]1)S(=O)(=O)O,"InChI=1/C9H10N2O3S2/c1-15-5-9-10-7-3-2-6(16(12,13)14)4-8(7)11-9/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)",C9H10N2O3S2,,,,,,BLKZOCKYCALVQP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.139,249-668-7,29492-49-7,"3-methoxybutyl 11,11-dibutyl-3-methyl-7-oxo-2,6-dioxa-10,12-dithia-11-stannapentadecan-15-oate","3-methoxybutyl 11,11-dibutyl-3-methyl-7-oxo-2,6-dioxa-10,12-dithia-11-stannapentadecan-15-oate",CCCC[Sn](CCCC)(SCCC(=O)OCCC(C)OC)SCCC(=O)OCCC(C)OC,CCCC[Sn](CCCC)(SCCC(=O)OCCC(C)OC)SCCC(=O)OCCC(C)OC,"InChI=1/2C8H16O3S.2C4H9.Sn/c2*1-7(10-2)3-5-11-8(9)4-6-12;2*1-3-4-2;/h2*7,12H,3-6H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H48O6S2Sn/c1-7-9-19-33(20-10-8-2,31-17-13-23(25)29-15-11-21(3)27-5)32-18-14-24(26)30-16-12-22(4)28-6/h21-22H,7-20H2,1-6H3",C24H48O6S2Sn,,,,,,QNBASXQVTGSILU-UHFFFAOYSA-L,,,,,,,,,,,
100.045.141,249-670-8,29508-47-2,"5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride","5-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium chloride",[Cl-].CN3/C=N\\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2,[Cl-].CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2,"InChI=1/C18H22N6.ClH/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;/h4-12,14,18H,13H2,1-3H3;1H",C18H21N6.Cl,,,,,,MNURCQLKHIJLGI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.149,249-679-7,29520-22-7,"2-methyl-1,4-naphthylene bis(hydrogen sulphate)","2-methylnaphthalene-1,4-diyl bis(hydrogen sulfate)",Cc1cc(OS(=O)(=O)O)c2ccccc2c1OS(=O)(=O)O,Cc1cc(OS(=O)(=O)O)c2ccccc2c1OS(=O)(=O)O,"InChI=1/C11H10O8S2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H,12,13,14)(H,15,16,17)",C11H10O8S2,,,,,,JYJGXBHAXCGVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.150,249-680-2,29520-57-8,7-(diethylamino)-3-(ethylamino)-2-methylphenoxazin-5-ium tetrachlorozincate (2:1),bis[7-(diethylamino)-3-(ethylamino)-2-methylphenoxazin-5-ium] tetrachlorozincate(2-),CCNc1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CC.CCNc4cc5[o+]c6cc(ccc6nc5cc4C)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl,CCNc1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CC.CCNc4cc5[o+]c6cc(ccc6nc5cc4C)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C19H24N3O.4ClH.Zn/c2*1-5-20-16-12-19-17(10-13(16)4)21-15-9-8-14(11-18(15)23-19)22(6-2)7-3;;;;;/h2*8-12,20H,5-7H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C19H24N3O.Cl4Zn/c2*1-5-20-16-12-19-17(10-13(16)4)21-15-9-8-14(11-18(15)23-19)22(6-2)7-3;1-5(2,3)4/h2*8-12,20H,5-7H2,1-4H3;/q2*+1;-2",C19H24N3O.1/2Cl4Zn,,,,,,SFKSAYJLPMBFQH-UHFFFAOYSA-J,,,,,,,,,,,
100.045.153,249-683-9,29533-13-9,2-[[(4-hydroxyphenyl)azo]phenyl]benzoic acid,2'-[(4-hydroxyphenyl)diazenyl]biphenyl-2-carboxylic acid,Oc3ccc(N=Nc2ccccc2c1ccccc1C(O)=O)cc3,Oc3ccc(N=Nc2ccccc2c1ccccc1C(O)=O)cc3,"InChI=1/C19H14N2O3/c22-14-11-9-13(10-12-14)20-21-18-8-4-3-6-16(18)15-5-1-2-7-17(15)19(23)24/h1-12,22H,(H,23,24)",C19H14N2O3,,,,,,FCFAMZCFGQVAIR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.168,249-701-5,29584-42-7,"N,N-dimethylformamide, compound with sulphur trioxide","N,N-dimethylformamide - oxosulfane dioxide (1:1)",CN(C)C=O.O=S(=O)=O,CN(C)C=O.O=S(=O)=O,"InChI=1/C3H7NO.O3S/c1-4(2)3-5;1-4(2)3/h3H,1-2H3;",C3H7NO.O3S,,,,,,AFDQGRURHDVABZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.171,249-704-1,29588-08-7,(S)-5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-thioxoimidazolidin-4-one,5-(4-hydroxybenzyl)-3-phenyl-2-thioxoimidazolidin-4-one,Oc1ccc(C[C@@H]2NC(=S)N(C2=O)c3ccccc3)cc1,Oc1ccc(C[C@@H]2NC(=S)N(C2=O)c3ccccc3)cc1,"InChI=1/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21)",C16H14N2O2S,,,,,,LCFDDJINTNHAEQ-AWEZNQCLSA-N,,,,,,,,,,,
100.019.977,221-974-5,3301-94-8,6-butyltetrahydro-2H-pyran-2-one,6-butyltetrahydro-2H-pyran-2-one,CCCCC1CCCC(=O)O1,CCCCC1CCCC(=O)O1,"InChI=1/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3",C9H16O2,,,,,,PXRBWNLUQYZAAX-UHFFFAOYSA-N,,,,,,,,,,,
100.019.978,221-975-0,1/10/3302,"3,5,5-trimethylhexanoic acid","3,5,5-trimethylhexanoic acid",CC(CC(=O)O)CC(C)(C)C,CC(CC(=O)O)CC(C)(C)C,"InChI=1/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)",C9H18O2,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13645,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.978,OILUAKBAMVLXGF-UHFFFAOYSA-N,,,,,,,,,,,
100.019.979,221-976-6,3303-31-9,N-L-leucyl-L-leucine,L-leucyl-L-leucine,CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O,CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O,"InChI=1/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)",C12H24N2O3,,,,,,LCPYQJIKPJDLLB-UWVGGRQHSA-N,,,,,,,,,,,
100.019.981,221-978-7,3303-45-5,N-L-alanyl-L-valine,L-alanyl-L-valine,CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)O,CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)O,"InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)",C8H16N2O3,,,,,,LIWMQSWFLXEGMA-WDSKDSINSA-N,,,,,,,,,,,
100.019.986,221-983-4,3305-68-8,Trioleyl phosphate,trioctadec-9-en-1-yl phosphate,CCCCCCCC\\C=C/CCCCCCCCOP(=O)(OCCCCCCCC\\C=C/CCCCCCCC)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCOP(=O)(OCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C54H105O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-59(55,57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3",C54H105O4P,,,,,,SVETUDAIEHYIKZ-IUPFWZBJSA-N,,,,,,,,,,,
100.018.947,220-840-3,2916-20-3,Hexamethylene bis(chloroformate),"hexane-1,6-diyl dichlorocarbonate",ClC(=O)OCCCCCCOC(Cl)=O,ClC(=O)OCCCCCCOC(Cl)=O,InChI=1/C8H12Cl2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h1-6H2,C8H12Cl2O4,,,,,,SLYNWPBNJOHZEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.948,220-841-9,2916-28-1,"2-ethyl-2,4-dimethyl-1,3-dioxolane","2-ethyl-2,4-dimethyl-1,3-dioxolane",CCC1(C)OCC(C)O1,CCC1(C)OCC(C)O1,"InChI=1/C7H14O2/c1-4-7(3)8-5-6(2)9-7/h6H,4-5H2,1-3H3",C7H14O2,,,,,,MMEAMWZNWXLIIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.950,220-844-5,2916-68-9,2-(trimethylsilyl)ethanol,2-(trimethylsilyl)ethanol,C[Si](C)(C)CCO,C[Si](C)(C)CCO,"InChI=1/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3",C5H14OSi,,,,,,ZNGINKJHQQQORD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.951,220-845-0,2916-76-9,Methyl (trimethylsilyl)acetate,methyl (trimethylsilyl)acetate,COC(=O)C[Si](C)(C)C,COC(=O)C[Si](C)(C)C,"InChI=1/C6H14O2Si/c1-8-6(7)5-9(2,3)4/h5H2,1-4H3",C6H14O2Si,,,,,,JIHUZDFFYVRXKP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.952,220-846-6,2917-26-2,Hexadecane-1-thiol,hexadecane-1-thiol,CCCCCCCCCCCCCCCCS,CCCCCCCCCCCCCCCCS,"InChI=1/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",C16H34S,,,,,,ORTRWBYBJVGVQC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.957,220-851-3,2917-94-4,"Sodium 2-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethoxy]ethanesulphonate","sodium 2-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethoxy)ethanesulfonate",[Na+].CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCS(=O)(=O)[O-])cc1,[Na+].CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCS(=O)(=O)[O-])cc1,"InChI=1/C20H34O6S.Na/c1-19(2,3)16-20(4,5)17-6-8-18(9-7-17)26-13-12-24-10-11-25-14-15-27(21,22)23;/h6-9H,10-16H2,1-5H3,(H,21,22,23);/q;+1/p-1",C20H34O6S.Na,,,,,,FCZYGJBVLGLYQU-UHFFFAOYSA-M,,,,,,,,,,,
100.018.959,220-853-4,2918-67-4,N-cyclohexylmethacrylamide,N-cyclohexyl-2-methylacrylamide,CC(=C)C(=O)NC1CCCCC1,CC(=C)C(=O)NC1CCCCC1,"InChI=1/C10H17NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3,(H,11,12)",C10H17NO,,,,,,JBLADNFGVOKFSU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.964,220-859-7,2919-66-6,Melengestrol acetate,"6-methyl-16-methylene-3,20-dioxopregna-4,6-dien-17-yl acetate",CC(=O)O[C@]1(C(=O)C)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)O[C@]1(C(=O)C)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3",C25H32O4,,,,,,UDKABVSQKJNZBH-DWNQPYOZSA-N,,,,,,,,,,,
100.018.967,220-862-3,2921-14-4,Bis[(aminooxy)acetic] acid hydrochloride,bis[(aminooxy)acetic acid] hydrochloride,Cl.NOCC(=O)O.NOCC(=O)O,Cl.NOCC(=O)O.NOCC(=O)O,"InChI=1/2C2H5NO3.ClH/c2*3-6-1-2(4)5;/h2*1,3H2,(H,4,5);1H",C2H5NO3.1/2ClH,,,,,,KBXIJIPYZKPDRU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.979,220-875-4,2923-15-1,Mercury(1+) trifluoroacetate,mercury trifluoroacetate,[Hg+].[O-]C(=O)C(F)(F)F,[Hg+].[O-]C(=O)C(F)(F)F,"InChI=1/C2HF3O2.Hg/c3-2(4,5)1(6)7;/h(H,6,7);/q;+2/p-1",C2HF3O2.Hg,,,,,,GYTDJCTUFWFXBE-UHFFFAOYSA-M,,,,,,,,,,,
100.018.987,220-884-3,2923-96-8,4-fluoro-2-nitrobenzaldehyde,4-fluoro-2-nitrobenzaldehyde,[O-][N+](=O)c1cc(F)ccc1C=O,[O-][N+](=O)c1cc(F)ccc1C=O,InChI=1/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H,C7H4FNO3,,,,,,ORCGMGUNVGVHDN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.991,220-889-0,2924-67-6,Fluoresone,1-(ethylsulfonyl)-4-fluorobenzene,CCS(=O)(=O)c1ccc(F)cc1,CCS(=O)(=O)c1ccc(F)cc1,"InChI=1/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",C8H9FO2S,,,,,,PRNNIHPVNFPWAH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.163,249-694-9,29556-33-0,"2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride","2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium chloride",[Cl-].CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1,[Cl-].CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1,"InChI=1/C22H25N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14,21H,5-6H2,1-4H3;1H",C22H24N3O2.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16902,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.163,RRUHSLWJCISCOO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.164,249-695-4,29558-88-1,4-fluorophenyl 4-chlorobenzoate,4-fluorophenyl 4-chlorobenzoate,Fc1ccc(OC(=O)c2ccc(Cl)cc2)cc1,Fc1ccc(OC(=O)c2ccc(Cl)cc2)cc1,InChI=1/C13H8ClFO2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,C13H8ClFO2,,,,,,QFOOQWZABMLXPS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.167,249-699-6,29575-02-8,"Butyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate","butyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dien-1-oate",O=C(O[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCCCC)CCCCCCCC)C=CC(=O)OCCCC,O=C(O[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCCCC)CCCCCCCC)C=CC(=O)OCCCC,"InChI=1/2C8H12O4.2C8H17.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-5-7-8-6-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC32H56O8Sn/c1-5-9-13-15-17-19-27-41(28-20-18-16-14-10-6-2,39-31(35)23-21-29(33)37-25-11-7-3)40-32(36)24-22-30(34)38-26-12-8-4/h21-24H,5-20,25-28H2,1-4H3",C32H56O8Sn,,,,,,GKOTWPKLOWTGAG-UHFFFAOYSA-L,,,,,,,,,,,
100.042.230,246-469-7,24808-52-4,Iron(2+) di-L-ascorbate,"iron(2+) bis[2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethanolate] (non-preferred name)",[Fe+2].OC=1[C@H](OC(=O)C=1O)[C@@H](O)C[O-].[O-]C[C@H](O)[C@H]1OC(=O)C(/O)=C1/O,[Fe+2].OC=1[C@H](OC(=O)C=1O)[C@@H](O)C[O-].[O-]C[C@H](O)[C@H]1OC(=O)C(/O)=C1/O,"InChI=1/2C6H7O6.Fe/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,8-10H,1H2;/q2*-1;+2",C6H8O6.1/2Fe,,,,,,GFZSBQYREFDNDG-ZZMNMWMASA-N,,,,,,,,,,,
100.042.231,246-470-2,24808-87-5,"17,21-dihydroxypregna-1,4-diene-3,11,20-trione 21-(hydrogen succinate)","4-[(17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid",CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,"InChI=1/C25H30O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-17,22,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)",C25H30O8,,,,,,IMWBZDUOZWSUQI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.234,246-473-9,24817-24-1,"cis,cis-6-tert-butyloctahydronaphthalen-2(1H)-one",6-tert-butyloctahydronaphthalen-2(1H)-one,CC(C)(C)[C@@H]1CC[C@H]2CC(=O)CC[C@H]2C1,CC(C)(C)[C@@H]1CC[C@H]2CC(=O)CC[C@H]2C1,"InChI=1/C14H24O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h10-12H,4-9H2,1-3H3",C14H24O,,,,,,QQKVQRVPUCGGKW-SDDRHHMPSA-N,,,,,,,,,,,
100.042.237,246-477-0,24818-79-9,Aluminium clofibrate,aluminum hydroxide bis[2-(4-chlorophenoxy)-2-methylpropanoate],CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Al](O)OC(=O)C(C)(C)Oc2ccc(Cl)cc2,CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Al](O)OC(=O)C(C)(C)Oc2ccc(Cl)cc2,"InChI=1/2C10H11ClO3.Al.H2O/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;/h2*3-6H,1-2H3,(H,12,13);;1H2/q;;+3;/p-3/rC20H21AlCl2O7/c1-19(2,27-15-9-5-13(22)6-10-15)17(24)29-21(26)30-18(25)20(3,4)28-16-11-7-14(23)8-12-16/h5-12,26H,1-4H3",C20H21AlCl2O7,,,,,,USWVMPGQVYZHCA-UHFFFAOYSA-K,,,,,,,,,,,
100.042.242,246-482-8,24824-70-2,Hexyl 3-octyloxiran-2-octanoate,hexyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OCCCCCC,CCCCCCCCC1OC1CCCCCCCC(=O)OCCCCCC,"InChI=1/C24H46O3/c1-3-5-7-9-11-14-18-22-23(27-22)19-15-12-10-13-16-20-24(25)26-21-17-8-6-4-2/h22-23H,3-21H2,1-2H3",C24H46O3,,,,,,OCUXLSGBNRCHFU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.875,248-278-4,27164-46-1,"Sodium (6R-trans)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate","sodium 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",[Na+].O=C3[C@H](NC(=O)Cn1cnnn1)[C@@H]4SC\\C(CSc2nnc(C)s2)=C(/N34)C([O-])=O,[Na+].O=C3[C@H](NC(=O)Cn1cnnn1)[C@@H]4SC\C(CSc2nnc(C)s2)=C(/N34)C([O-])=O,"InChI=1/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1",C14H14N8O4S3.Na,,,,,,FLKYBGKDCCEQQM-CSDGMEMJSA-M,,,,,,,,,,,
100.043.879,248-283-1,27165-22-6,4-chloro-2-nitrobenzenediazonium,4-chloro-2-nitrobenzenediazonium,[O-][N+](=O)c1cc(Cl)ccc1[N+]#N,[O-][N+](=O)c1cc(Cl)ccc1[N+]#N,InChI=1/C6H3ClN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3H/q+1,C6H3ClN3O2,,,,,,PKGYYZYRNOVFKK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.881,248-285-2,27172-85-6,3-phenyl-DL-alanine hydrochloride,phenylalanine hydrochloride,Cl.N[C@@H](Cc1ccccc1)C(=O)O,Cl.N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C9H11NO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H",C9H11NO2.ClH,,,,,,ZAIZDXVMSSDZFA-QRPNPIFTSA-N,,,,,,,,,,,
100.043.882,248-286-8,27174-15-8,N-glycyl-DL-threonine,glycyl-L-threonine,CC(O)[C@H](NC(=O)CN)C(=O)O,CC(O)[C@H](NC(=O)CN)C(=O)O,"InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)",C6H12N2O4,,,,,,OLIFSFOFKGKIRH-PVPKANODSA-N,,,,,,,,,,,
100.043.890,248-295-7,27177-41-9,Ar-nonyldiphenylamine,4-nonyl-N-phenylaniline,CCCCCCCCCc1ccc(Nc2ccccc2)cc1,CCCCCCCCCc1ccc(Nc2ccccc2)cc1,"InChI=1/C21H29N/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)22-20-13-10-8-11-14-20/h8,10-11,13-18,22H,2-7,9,12H2,1H3",C21H29N,,,,,,DSGJTSGIIUQSCS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.295,246-541-8,24939-67-1,"2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulphonic acid","2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid",CCCCCCCCCCCCCCCCCC1=Nn2c(C1)nc3cc(ccc23)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC1=Nn2c(C1)nc3cc(ccc23)S(=O)(=O)O,"InChI=1/C26H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-26-27-24-21-23(33(30,31)32)18-19-25(24)29(26)28-22/h18-19,21H,2-17,20H2,1H3,(H,30,31,32)",C26H41N3O3S,,,,,,PPVCZORCMVDSHM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.298,246-544-4,24951-77-7,Cholest-5-en-3ß-yl crotonate,cholest-5-en-3-yl but-2-enoate,C\\C=C\\C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,C\C=C\C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C31H50O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h7,9,12,21-22,24-28H,8,10-11,13-20H2,1-6H3",C31H50O2,,,,,,WAPKZPLWLMQRHV-SSGLBJFFSA-N,,,,,,,,,,,
100.042.301,246-548-6,24962-75-2,"3-amino-4-hydroxy-N,N-dimethylbenzenesulphonamide","3-amino-4-hydroxy-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(O)c(N)c1,CN(C)S(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C8H12N2O3S/c1-10(2)14(12,13)6-3-4-8(11)7(9)5-6/h3-5,11H,9H2,1-2H3",C8H12N2O3S,,,,,,BLKRLPPJSAMUNN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.303,246-550-7,24967-27-9,"N-acetyl-2,3-didehydro-2-deoxyneuraminic acid","5-acetamido-2,6-anhydro-3,5-dideoxynon-2-enonic acid",CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)O,CC(=O)NC1C(O)C=C(OC1C(O)C(O)CO)C(=O)O,"InChI=1/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)",C11H17NO8,,,,,,JINJZWSZQKHCIP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.313,246-561-7,25006-60-4,Isopropyl dichloroacetate,isopropyl dichloroacetate,CC(C)OC(=O)C(Cl)Cl,CC(C)OC(=O)C(Cl)Cl,"InChI=1/C5H8Cl2O2/c1-3(2)9-5(8)4(6)7/h3-4H,1-2H3",C5H8Cl2O2,,,,,,JBTISLVNJCYZCH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.314,246-562-2,25013-15-4,Vinyltoluene,1-methyl-2-vinylbenzene,C=Cc1ccccc1C,C=Cc1ccccc1C,"InChI=1/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3",C9H10,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7646,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.314,NVZWEEGUWXZOKI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.316,246-564-3,25016-01-7,5-bromo-2-methoxybenzaldehyde,5-bromo-2-methoxybenzaldehyde,COc1ccc(Br)cc1C=O,COc1ccc(Br)cc1C=O,"InChI=1/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3",C8H7BrO2,,,,,,IJIBRSFAXRFPPN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.320,246-569-0,25024-53-7,"N-(tert-butoxycarbonyl)-1-(2,4-dinitrophenyl)-L-histidine","N-(tert-butoxycarbonyl)-1-(2,4-dinitrophenyl)-L-histidine",CC(C)(C)OC(=O)N[C@@H](Cc1cn(cn1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1cn(cn1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)",C17H19N5O8,,,,,,KPGVUOQMOHGHEW-LBPRGKRZSA-N,,,,,,,,,,,
100.044.231,248-671-0,27816-36-0,2-chloropropionamide,2-chloropropanamide,CC(Cl)C(=O)N,CC(Cl)C(=O)N,"InChI=1/C3H6ClNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)",C3H6ClNO,,,,,,OEZPDHRXGCLGKB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.234,248-674-7,27817-73-8,N-[4-(methylthio)phenyl]acrylamide,N-[4-(methylsulfanyl)phenyl]acrylamide,CSc1ccc(NC(=O)C=C)cc1,CSc1ccc(NC(=O)C=C)cc1,"InChI=1/C10H11NOS/c1-3-10(12)11-8-4-6-9(13-2)7-5-8/h3-7H,1H2,2H3,(H,11,12)",C10H11NOS,,,,,,JFYDGNATTIHYIB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.236,248-676-8,27819-09-6,2-methylallyl 2-butenoate,2-methylprop-2-en-1-yl but-2-enoate,CC=CC(=O)OCC(=C)C,CC=CC(=O)OCC(=C)C,"InChI=1/C8H12O2/c1-4-5-8(9)10-6-7(2)3/h4-5H,2,6H2,1,3H3",C8H12O2,,,,,,WKMKXWTZXKHHBV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.237,248-677-3,27820-51-5,"Tetralithium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate]",tetralithium 4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(6-sulfonato-2-naphthyl)diazenyl]-2-naphthyl}carbamoyl)amino]-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-2-sulfonate,[Li+].[Li+].[Li+].[Li+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc8c(c5)cc(c(N=Nc6cc7ccc(cc7cc6)S([O-])(=O)=O)c8O)S([O-])(=O)=O)S([O-])(=O)=O,[Li+].[Li+].[Li+].[Li+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc8c(c5)cc(c(N=Nc6cc7ccc(cc7cc6)S([O-])(=O)=O)c8O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C41H28N6O15S4.4Li/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C41H28N6O15S4.4Li,,,,,,ONUQIYASPADTRB-UHFFFAOYSA-J,,,,,,,,,,,
100.044.239,248-679-4,27821-54-1,Thymidine 5'-(trisodium hydrogen triphosphate),"trisodium 1-{2-deoxy-5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione",CC1=CN(C2CC(O)C(COP(=O)(O[Na])OP(=O)(O[Na])OP(=O)(O)O[Na])O2)C(=O)NC1=O,CC1=CN(C2CC(O)C(COP(=O)(O[Na])OP(=O)(O[Na])OP(=O)(O)O[Na])O2)C(=O)NC1=O,"InChI=1/C10H17N2O14P3.3Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18);;;/q;3*+1/p-3/rC10H14N2Na3O14P3/c1-5-3-12(10(18)11-9(5)17)8-2-6(16)7(24-8)4-23-31(21,26-14)29-32(22,27-15)28-30(19,20)25-13/h3,6-8,16H,2,4H2,1H3,(H,19,20)(H,11,17,18)",C10H17N2O14P3.3Na,,,,,,KNVJTOALWGZWAI-UHFFFAOYSA-K,,,,,,,,,,,
100.044.244,248-685-7,27836-64-2,Dodecyl D-glucoside,dodecyl hexopyranoside,CCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O,CCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O,"InChI=1/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3",C18H36O6,,,,,,PYIDGJJWBIBVIA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.172,249-705-7,29589-40-0,1-[(dimethylamino)ethyl]-4-methylpiperazine,"N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine",CC(N(C)C)N1CCN(C)CC1,CC(N(C)C)N1CCN(C)CC1,"InChI=1/C9H21N3/c1-9(10(2)3)12-7-5-11(4)6-8-12/h9H,5-8H2,1-4H3",C9H21N3,,,,,,LGRZMVLKUDUPSB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.173,249-706-2,29589-57-9,"Toluene, dibenzyl derivative","1,2-dibenzyl-3-methylbenzene",Cc1cccc(Cc2ccccc2)c1Cc3ccccc3,Cc1cccc(Cc2ccccc2)c1Cc3ccccc3,"InChI=1/C21H20/c1-17-9-8-14-20(15-18-10-4-2-5-11-18)21(17)16-19-12-6-3-7-13-19/h2-14H,15-16H2,1H3",C21H20,,,,,,PKQYSCBUFZOAPE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.232,246-471-8,24815-24-5,Rescinnamine,"methyl 11,17-dimethoxy-18-{[3-(3,4,5-trimethoxyphenyl)acryloyl]oxy}yohimban-16-carboxylate",COc1cc(cc(OC)c1OC)C=CC(=O)O[C@@H]4C[C@@H]5CN6CCc3c(nc2cc(OC)ccc23)[C@H]6C[C@@H]5[C@H](C(=O)OC)[C@H]4OC,COc1cc(cc(OC)c1OC)C=CC(=O)O[C@@H]4C[C@@H]5CN6CCc3c(nc2cc(OC)ccc23)[C@H]6C[C@@H]5[C@H](C(=O)OC)[C@H]4OC,"InChI=1/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3",C35H42N2O9,,,,,,SZLZWPPUNLXJEA-LAFLMMDJSA-N,,,,,,,,,,,
100.042.233,246-472-3,24815-31-4,"Decyl hydrogen sulphate, compound with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide","decyl hydrogen sulfate - 4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide (1:1)",CCCCCCCCCCOS(=O)(=O)O.CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4C3(C)O,CCCCCCCCCCOS(=O)(=O)O.CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4C3(C)O,"InChI=1/C22H24N2O9.C10H22O4S/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);2-10H2,1H3,(H,11,12,13)",C22H24N2O9.xC12H26O4S,,,,,,CVKHKBLQSRTYGO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.240,246-480-7,24824-27-9,"2,7-dinitronaphthalene","2,7-dinitronaphthalene",[O-][N+](=O)c1ccc2ccc(cc2c1)[N+](=O)[O-],[O-][N+](=O)c1ccc2ccc(cc2c1)[N+](=O)[O-],InChI=1/C10H6N2O4/c13-11(14)9-3-1-7-2-4-10(12(15)16)6-8(7)5-9/h1-6H,C10H6N2O4,,,,,,AFDWAIQLYHEUIW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.241,246-481-2,24824-36-0,Diethyl (diphenylmethylene)malonate,diethyl (diphenylmethylene)malonate,CCOC(=O)C(=C(c1ccccc1)c2ccccc2)C(=O)OCC,CCOC(=O)C(=C(c1ccccc1)c2ccccc2)C(=O)OCC,"InChI=1/C20H20O4/c1-3-23-19(21)18(20(22)24-4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3",C20H20O4,,,,,,SCJORYSROIFVSH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.244,246-484-9,24828-38-4,4-diethylamino-o-toluidine hydrochloride,"N~4~,N~4~-diethyl-2-methylbenzene-1,4-diamine hydrochloride",Cl.CCN(CC)c1ccc(N)c(C)c1,Cl.CCN(CC)c1ccc(N)c(C)c1,"InChI=1/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H",C11H18N2.xClH,,,,,,MPLZNPZPPXERDA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.887,248-292-0,27177-03-3,"20-(nonylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol","20-(2-nonylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol",CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C29H52O8/c1-2-3-4-5-6-7-8-11-28-12-9-10-13-29(28)37-27-26-36-25-24-35-23-22-34-21-20-33-19-18-32-17-16-31-15-14-30/h9-10,12-13,30H,2-8,11,14-27H2,1H3",C29H52O8,,,,,,HPBDNFXBBNDIIU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.891,248-296-2,27177-77-1,Potassium dodecylbenzenesulphonate,potassium 2-dodecylbenzenesulfonate,[K+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[K+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C18H30O3S.K/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1",C18H30O3S.K,,,,,,HSJXWMZKBLUOLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.056,249-577-2,29342-05-0,Ciclopirox,6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one,CC1=CC(=O)N(O)C(=C1)C2CCCCC2,CC1=CC(=O)N(O)C(=C1)C2CCCCC2,"InChI=1/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",C12H17NO2,,,,,,SCKYRAXSEDYPSA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.058,249-579-3,29350-67-2,"Menthane, didehydro derivative",4-isopropyl-1-methylcyclohexene,CC(C)C1CCC(=CC1)C,CC(C)C1CCC(=CC1)C,"InChI=1/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3",C10H18,,,,,,FAMJUFMHYAFYNU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.060,249-581-4,29351-51-7,Dimethylthianthrene,"1,2-dimethylthianthrene",Cc1ccc2Sc3ccccc3Sc2c1C,Cc1ccc2Sc3ccccc3Sc2c1C,"InChI=1/C14H12S2/c1-9-7-8-13-14(10(9)2)16-12-6-4-3-5-11(12)15-13/h3-8H,1-2H3",C14H12S2,,,,,,XWTUFPFWNHRJNF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.064,249-586-1,29363-53-9,4-[[(dichlorofluoromethyl)thio](trifluoromethyl)amino]benzoic acid,4-[{[dichloro(fluoro)methyl]sulfanyl}(trifluoromethyl)amino]benzoic acid,OC(=O)c1ccc(cc1)N(SC(F)(Cl)Cl)C(F)(F)F,OC(=O)c1ccc(cc1)N(SC(F)(Cl)Cl)C(F)(F)F,"InChI=1/C9H5Cl2F4NO2S/c10-8(11,12)19-16(9(13,14)15)6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)",C9H5Cl2F4NO2S,,,,,,OHZCUEZSYBNWJF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.994,220-892-7,2928-43-0,o-phenylbenzyl alcohol,biphenyl-2-ylmethanol,OCc1ccccc1c2ccccc2,OCc1ccccc1c2ccccc2,"InChI=1/C13H12O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2",C13H12O,,,,,,VKTQADPEPIVMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.987,218-685-1,2216-15-1,"N,N-diethyl-4-nitroaniline","N,N-diethyl-4-nitroaniline",CCN(CC)c1ccc(cc1)[N+](=O)[O-],CCN(CC)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3",C10H14N2O2,,,,,,CFPIZMWTMRWZRO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.988,218-686-7,2216-33-3,3-methyloctane,3-methyloctane,CCCCCC(C)CC,CCCCCC(C)CC,"InChI=1/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3",C9H20,,,,,,SEEOMASXHIJCDV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.989,218-687-2,2216-34-4,4-methyloctane,4-methyloctane,CCCCC(C)CCC,CCCCC(C)CCC,"InChI=1/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3",C9H20,,,,,,DOGIHOCMZJUJNR-UHFFFAOYSA-N,,,,,,,,,,,
100.016.993,218-691-4,2216-52-6,(+)-neomenthol,2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.997,218-696-1,2216-69-5,Methyl 1-naphthyl ether,1-methoxynaphthalene,COc1cccc2ccccc12,COc1cccc2ccccc12,"InChI=1/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3",C11H10O,,,,,,NQMUGNMMFTYOHK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.502,220-352-0,2733-88-2,Methyl (Z)-tetracos-15-enoate,methyl tetracos-15-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCCCC(=O)OC,CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC,"InChI=1/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3",C25H48O2,,,,,,AINIZSBLAFHZCP-KHPPLWFESA-N,,,,,,,,,,,
100.018.509,220-359-9,2736-40-5,2-ethylbutyryl chloride,2-ethylbutanoyl chloride,CCC(CC)C(=O)Cl,CCC(CC)C(=O)Cl,"InChI=1/C6H11ClO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3",C6H11ClO,,,,,,SMUKODJVMQOSAB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.516,220-367-2,2740-83-2,3-(trifluoromethyl)benzylamine,1-[3-(trifluoromethyl)phenyl]methanamine,NCc1cccc(c1)C(F)(F)F,NCc1cccc(c1)C(F)(F)F,"InChI=1/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2",C8H8F3N,,,,,,YKNZTUQUXUXTLE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.521,220-373-5,2741-62-0,Ditridecyl sebacate,ditridecyl sebacate,CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCC,"InChI=1/C36H70O4/c1-3-5-7-9-11-13-15-17-21-25-29-33-39-35(37)31-27-23-19-20-24-28-32-36(38)40-34-30-26-22-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",C36H70O4,,,,,,DNWILILLQPIREP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.525,220-377-7,2743-60-4,Ethyl L-leucinate,ethyl L-leucinate,CCOC(=O)[C@@H](N)CC(C)C,CCOC(=O)[C@@H](N)CC(C)C,"InChI=1/C8H17NO2/c1-4-11-8(10)7(9)5-6(2)3/h6-7H,4-5,9H2,1-3H3",C8H17NO2,,,,,,QIGLJVBIRIXQRN-ZETCQYMHSA-N,,,,,,,,,,,
100.018.527,220-379-8,2744-50-5,"Diisobutyl 3,9-perylenedicarboxylate","diisobutyl perylene-3,9-dicarboxylate",CC(C)COC(=O)c1ccc2c3cccc4c(ccc(c5cccc1c25)c34)C(=O)OCC(C)C,CC(C)COC(=O)c1ccc2c3cccc4c(ccc(c5cccc1c25)c34)C(=O)OCC(C)C,"InChI=1/C30H28O4/c1-17(2)15-33-29(31)25-13-11-23-20-8-6-10-22-26(30(32)34-16-18(3)4)14-12-24(28(20)22)19-7-5-9-21(25)27(19)23/h5-14,17-18H,15-16H2,1-4H3",C30H28O4,,,,,,YLNJGHNUXCVDIX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.532,220-385-0,2746-81-8,Fluphenazine O-enantate,2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl heptanoate,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3",C29H38F3N3O2S,,,,,,LRWSFOSWNAQHHW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.906,224-096-0,4/10/4199,(S)-[2-hydroxy-3-(naphthyloxy)propyl]isopropylammonium chloride,2-hydroxy-N-isopropyl-3-(1-naphthyloxy)propan-1-aminium chloride,[Cl-].CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12,[Cl-].CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12,"InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H",C16H21NO2.ClH,,,,,,ZMRUPTIKESYGQW-UQKRIMTDSA-N,,,,,,,,,,,
100.021.909,224-099-7,4200-55-9,Tridecyl phosphate,tris(decyl) phosphate,CCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC,CCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC,"InChI=1/C30H63O4P/c1-4-7-10-13-16-19-22-25-28-32-35(31,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3",C30H63O4P,,,,,,KUHPLTBUBAGTDV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.910,224-100-0,4200-76-4,Chlorotributoxytitanium,titanium(4+) chloride tributan-1-olate,CCCCO[Ti](Cl)(OCCCC)OCCCC,CCCCO[Ti](Cl)(OCCCC)OCCCC,"InChI=1/3C4H9O.ClH.Ti/c3*1-2-3-4-5;;/h3*2-4H2,1H3;1H;/q3*-1;;+4/p-1/rC12H27ClO3Ti/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",C12H27ClO3Ti,,,,,,APKYUQFPWXLNFH-UHFFFAOYSA-M,,,,,,,,,,,
100.021.919,224-110-5,4202-14-6,Dimethyl (2-oxopropyl)phosphonate,dimethyl (2-oxopropyl)phosphonate,COP(=O)(CC(=O)C)OC,COP(=O)(CC(=O)C)OC,"InChI=1/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3",C5H11O4P,,,,,,UOWIYNWMROWVDG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.894,248-299-9,27178-16-1,Diisodecyl adipate,bis(8-methylnonyl) adipate,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3",C26H50O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16083,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.894,YKGYQYOQRGPFTO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.895,248-300-2,27178-34-3,tert-butylphenol,2-tert-butylphenol,CC(C)(C)c1ccccc1O,CC(C)(C)c1ccccc1O,"InChI=1/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3",C10H14O,,,,,,WJQOZHYUIDYNHM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.896,248-301-8,27178-87-6,Sodium dimethylnaphthalenesulphonate,"sodium 2,3-dimethylnaphthalene-1-sulfonate",[Na+].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-],[Na+].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-],"InChI=1/C12H12O3S.Na/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1",C12H12O3S.Na,,,,,,VDHOTNRNELFZCL-UHFFFAOYSA-M,,,,,,,,,,,
100.045.054,249-575-1,29340-79-2,"2,2',2''-nitrilotriethanol sulphite","2,2',2''-nitrilotriethanol sulfite (salt)",OCCN(CCO)CCO.OS(=O)O,OCCN(CCO)CCO.OS(=O)O,"InChI=1/C6H15NO3.H2O3S/c8-4-1-7(2-5-9)3-6-10;1-4(2)3/h8-10H,1-6H2;(H2,1,2,3)",C6H15NO3.xH2O3S,,,,,,YMRKWTHZKSAVSR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.055,249-576-7,29340-81-6,"2,2',2''-nitrilotriethanol citrate","2,2',2''-nitrilotriethanol 2-hydroxypropane-1,2,3-tricarboxylate (salt)",OCCN(CCO)CCO.OC(=O)CC(O)(CC(=O)O)C(=O)O,OCCN(CCO)CCO.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C6H15NO3.C6H8O7/c8-4-1-7(2-5-9)3-6-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-10H,1-6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H15NO3.xC6H8O7,,,,,,QHXBZNOJMIQGER-UHFFFAOYSA-N,,,,,,,,,,,
100.045.061,249-583-5,29354-98-1,Hexadecanol,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCO,"InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",C16H34O,,,,,,BXWNKGSJHAJOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.062,249-584-0,29362-18-3,2-chloro-5-(trifluoromethyl)benzenediazonium,2-chloro-5-(trifluoromethyl)benzenediazonium,FC(F)(F)c1ccc(Cl)c(c1)[N+]#N,FC(F)(F)c1ccc(Cl)c(c1)[N+]#N,"InChI=1/C7H3ClF3N2/c8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-3H/q+1",C7H3ClF3N2,,,,,,PWJFCKDKNSZLNT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.065,249-587-7,29366-77-6,"6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine","6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine",Nc1nc(N)nc(n1)c2ccccc2Cl,Nc1nc(N)nc(n1)c2ccccc2Cl,"InChI=1/C9H8ClN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)",C9H8ClN5,,,,,,RDRNLYCDZBVQKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.068,249-590-3,29381-58-6,"Tetrahydro-5-octyl-1,3,5-triazine-2-thiol","5-octyl-1,2,5,6-tetrahydro-1,3,5-triazine-2-thiol",CCCCCCCCN1CNC(S)N=C1,CCCCCCCCN1CNC(S)N=C1,"InChI=1/C11H23N3S/c1-2-3-4-5-6-7-8-14-9-12-11(15)13-10-14/h9,11,13,15H,2-8,10H2,1H3",C11H23N3S,,,,,,WTMGBBOINJPJMV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.070,249-592-4,29385-11-3,Isopropyldinitrophenol,"2-isopropyl-3,4-dinitrophenol",CC(C)c1c(O)ccc(c1[N+](=O)[O-])[N+](=O)[O-],CC(C)c1c(O)ccc(c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C9H10N2O5/c1-5(2)8-7(12)4-3-6(10(13)14)9(8)11(15)16/h3-5,12H,1-2H3",C9H10N2O5,,,,,,PKUJUAXWHQSXFT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.071,249-594-5,29385-30-6,[2-(trimethoxysilyl)ethyl]benzene-1-sulphonyl azide,2-[2-(trimethoxysilyl)ethyl]benzenesulfonyl azide,CO[Si](CCc1ccccc1S(=O)(=O)N=[N+]=[N-])(OC)OC,CO[Si](CCc1ccccc1S(=O)(=O)N=[N+]=[N-])(OC)OC,"InChI=1/C11H17N3O5SSi/c1-17-21(18-2,19-3)9-8-10-6-4-5-7-11(10)20(15,16)14-13-12/h4-7H,8-9H2,1-3H3",C11H17N3O5SSi,,,,,,JEHQYUIXQHYENR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.072,249-595-0,29385-40-8,(1-phenylethyl)anisole,1-methoxy-2-(1-phenylethyl)benzene,COc1ccccc1C(C)c2ccccc2,COc1ccccc1C(C)c2ccccc2,"InChI=1/C15H16O/c1-12(13-8-4-3-5-9-13)14-10-6-7-11-15(14)16-2/h3-12H,1-2H3",C15H16O,,,,,,PNIZXQAEXRQZJU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.074,249-597-1,29387-84-6,Isopropoxypropanol,1-isopropoxypropan-1-ol,CCC(O)OC(C)C,CCC(O)OC(C)C,"InChI=1/C6H14O2/c1-4-6(7)8-5(2)3/h5-7H,4H2,1-3H3",C6H14O2,,,,,,HBNLGCNVBJCBAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.081,249-604-8,29398-82-1,Tris(2-hydroxyethyl)sulphonium stearate,tris(2-hydroxyethyl)sulfonium stearate,CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[S+](CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[S+](CCO)CCO,"InChI=1/C18H36O2.C6H15O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-1-4-10(5-2-8)6-3-9/h2-17H2,1H3,(H,19,20);7-9H,1-6H2/q;+1/p-1",C18H35O2.C6H15O3S,,,,,,RLAAQIIKPXWKPU-UHFFFAOYSA-M,,,,,,,,,,,
100.045.086,249-610-0,29413-61-4,"Magnesium bis[2-(2,4-dichlorophenoxy)propionate]","magnesium bis[2-(2,4-dichlorophenoxy)propanoate]",[Mg+2].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].CC(Oc2ccc(Cl)cc2Cl)C(=O)[O-],[Mg+2].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].CC(Oc2ccc(Cl)cc2Cl)C(=O)[O-],"InChI=1/2C9H8Cl2O3.Mg/c2*1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2*2-5H,1H3,(H,12,13);/q;;+2/p-2",C9H8Cl2O3.1/2Mg,,,,,,PVAAOBAQAZXOQT-UHFFFAOYSA-L,,,,,,,,,,,
100.045.088,249-612-1,29414-55-9,"2,2-dimethyl-3-(3-methylenepent-4-enyl)oxirane","2,2-dimethyl-3-(3-methylenepent-4-en-1-yl)oxirane",CC1(C)OC1CCC(=C)C=C,CC1(C)OC1CCC(=C)C=C,"InChI=1/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5,9H,1-2,6-7H2,3-4H3",C10H16O,,,,,,DQGZGGZXMOFHLB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.245,248-686-2,27836-65-3,Octadecyl D-glucoside,octadecyl hexopyranoside,CCCCCCCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O,CCCCCCCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O,"InChI=1/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24-23(28)22(27)21(26)20(19-25)30-24/h20-28H,2-19H2,1H3",C24H48O6,,,,,,UFSKIYBOKFBSOA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.248,248-689-9,27843-15-8,Bis(3-aminopropyl)cyclohexylamine,"N-(3-aminopropyl)-N-cyclohexylpropane-1,3-diamine",NCCCN(CCCN)C1CCCCC1,NCCCN(CCCN)C1CCCCC1,"InChI=1/C12H27N3/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h12H,1-11,13-14H2",C12H27N3,,,,,,BQUQUASUHNZZLS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.503,250-069-8,30136-13-1,Propoxypropanol,1-propoxypropan-1-ol,CCCOC(O)CC,CCCOC(O)CC,"InChI=1/C6H14O2/c1-3-5-8-6(7)4-2/h6-7H,3-5H2,1-2H3",C6H14O2,,,,,,WFTFZCCPGNXIPK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.506,250-072-4,30145-51-8,"3-[2,2-dimethyl-1-oxo-3-[(1-oxoallyl)oxy]propoxy]-2,2-dimethylpropyl acrylate","3-{[3-(acryloyloxy)-2,2-dimethylpropanoyl]oxy}-2,2-dimethylpropyl acrylate",CC(C)(COC(=O)C=C)COC(=O)C(C)(C)COC(=O)C=C,CC(C)(COC(=O)C=C)COC(=O)C(C)(C)COC(=O)C=C,"InChI=1/C16H24O6/c1-7-12(17)20-9-15(3,4)10-22-14(19)16(5,6)11-21-13(18)8-2/h7-8H,1-2,9-11H2,3-6H3",C16H24O6,,,,,,ICCCRCJXHNMZPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.507,250-074-5,30157-74-5,"2,3,4-tribromostyrene","1,2,3-tribromo-4-vinylbenzene",Brc1ccc(C=C)c(Br)c1Br,Brc1ccc(C=C)c(Br)c1Br,"InChI=1/C8H5Br3/c1-2-5-3-4-6(9)8(11)7(5)10/h2-4H,1H2",C8H5Br3,,,,,,DOTSLXAPJSPHJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.508,250-075-0,30162-37-9,3-pyridylthiourea,N-pyridin-3-ylcarbamimidothioic acid,SC(=N)Nc1cccnc1,SC(=N)Nc1cccnc1,"InChI=1/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)",C6H7N3S,,,,,,CFOJQUGXHMGMOT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.513,250-080-8,30171-80-3,[(dibromomethylphenoxy)methyl]oxirane,2-{[2-(dibromomethyl)phenoxy]methyl}oxirane,BrC(Br)c1ccccc1OCC2CO2,BrC(Br)c1ccccc1OCC2CO2,"InChI=1/C10H10Br2O2/c11-10(12)8-3-1-2-4-9(8)14-6-7-5-13-7/h1-4,7,10H,5-6H2",C10H10Br2O2,,,,,,RUBIQRSGTVJYHR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.978,245-093-0,22572-05-0,3-mercapto-DL-valine hydrochloride,3-sulfanyl-L-valine hydrochloride,Cl.CC(C)(S)[C@H](N)C(=O)O,Cl.CC(C)(S)[C@H](N)C(=O)O,"InChI=1/C5H11NO2S.ClH/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);1H",C5H11NO2S.ClH,,,,,,CZDHUFYOXKHLME-AENDTGMFSA-N,,,,,,,,,,,
100.040.979,245-094-6,22572-37-8,[2-(benzylthio)ethyl]ammonium hydrogen malate,2-(benzylsulfanyl)ethanaminium hydrogen malate,[NH3+]CCSCc1ccccc1.OC(CC(=O)[O-])C(=O)[O-],[NH3+]CCSCc1ccccc1.OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C9H13NS.C4H6O5/c10-6-7-11-8-9-4-2-1-3-5-9;5-2(4(8)9)1-3(6)7/h1-5H,6-8,10H2;2,5H,1H2,(H,6,7)(H,8,9)/p-1",C9H13NS.C4H6O5,,,,,,PYVXEGXCZNNDNS-UHFFFAOYSA-M,,,,,,,,,,,
100.040.986,245-101-2,22581-05-1,1-cyanoprop-1-enyl acetate,1-cyanoprop-1-en-1-yl acetate,N#CC(=CC)OC(C)=O,N#CC(=CC)OC(C)=O,"InChI=1/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3H,1-2H3",C6H7NO2,,,,,,KDWLJRLMMTVSSP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.987,245-102-8,22581-63-1,"1,2-dibromo-[1,1,2,2-2H4]ethane","1,2-dibromoethane",BrCCBr,BrCCBr,InChI=1/C2H4Br2/c3-1-2-4/h1-2H2,C2Br2D4,,,,,,PAAZPARNPHGIKF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.988,245-103-3,22582-67-8,1-(1H-indol-3-yl)butan-1-one,1-(1H-indol-3-yl)butan-1-one,CCCC(=O)c1c[nH]c2ccccc12,CCCC(=O)c1c[nH]c2ccccc12,"InChI=1/C12H13NO/c1-2-5-12(14)10-8-13-11-7-4-3-6-9(10)11/h3-4,6-8,13H,2,5H2,1H3",C12H13NO,,,,,,CPSCIKJSJRJTMF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.992,245-108-0,22584-04-9,2-undec-10-enylisothiouronium iodide,amino(undec-10-en-1-ylsulfanyl)methaniminium iodide,[I-].NC(=[NH2+])SCCCCCCCCCC=C,[I-].NC(=[NH2+])SCCCCCCCCCC=C,"InChI=1/C12H24N2S.HI/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14;/h2H,1,3-11H2,(H3,13,14);1H",C12H24N2S.HI,,,,,,INDZTCRIYSRWOH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.994,245-110-1,22588-78-9,N-[3-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide,N-{3-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl}acetamide,COc1ccc(NC(=O)C)cc1N(CCO)CCC#N,COc1ccc(NC(=O)C)cc1N(CCO)CCC#N,"InChI=1/C14H19N3O3/c1-11(19)16-12-4-5-14(20-2)13(10-12)17(8-9-18)7-3-6-15/h4-5,10,18H,3,7-9H2,1-2H3,(H,16,19)",C14H19N3O3,,,,,,BODCCJMIZYPXCB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.627,246-906-1,25372-95-6,"Diammonium 2-oxopropane-1,3-disulphonate","diammonium 2-oxopropane-1,3-disulfonate",[NH4+].[NH4+].[O-]S(=O)(=O)CC(=O)CS(=O)(=O)[O-],[NH4+].[NH4+].[O-]S(=O)(=O)CC(=O)CS(=O)(=O)[O-],"InChI=1/C3H6O7S2.2H3N/c4-3(1-11(5,6)7)2-12(8,9)10;;/h1-2H2,(H,5,6,7)(H,8,9,10);2*1H3",C3H6O7S2.2H3N,,,,,,RREOYGDHGZSXJN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.630,246-909-8,25376-41-4,Tris(dodecylphenyl) phosphite,tris(2-dodecylphenyl) phosphite,CCCCCCCCCCCCc1ccccc1OP(Oc2ccccc2CCCCCCCCCCCC)Oc3ccccc3CCCCCCCCCCCC,CCCCCCCCCCCCc1ccccc1OP(Oc2ccccc2CCCCCCCCCCCC)Oc3ccccc3CCCCCCCCCCCC,"InChI=1/C54H87O3P/c1-4-7-10-13-16-19-22-25-28-31-40-49-43-34-37-46-52(49)55-58(56-53-47-38-35-44-50(53)41-32-29-26-23-20-17-14-11-8-5-2)57-54-48-39-36-45-51(54)42-33-30-27-24-21-18-15-12-9-6-3/h34-39,43-48H,4-33,40-42H2,1-3H3",C54H87O3P,,,,,,YTVCHUPHPBBSMD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.084,249-607-4,29401-60-3,"2,3-dihydro-2-thioxobenzothiazole-6-sulphonic acid","2-thioxo-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid",OS(=O)(=O)c1ccc2NC(=S)Sc2c1,OS(=O)(=O)c1ccc2NC(=S)Sc2c1,"InChI=1/C7H5NO3S3/c9-14(10,11)4-1-2-5-6(3-4)13-7(12)8-5/h1-3H,(H,8,12)(H,9,10,11)",C7H5NO3S3,,,,,,BQWXNGQUOGGJAU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.087,249-611-6,29413-62-5,Magnesium 2-[(4-chloro-o-tolyl)oxy]propionate,magnesium bis[2-(4-chloro-2-methylphenoxy)propanoate],[Mg+2].CC(Oc1ccc(Cl)cc1C)C(=O)[O-].CC(Oc2ccc(Cl)cc2C)C(=O)[O-],[Mg+2].CC(Oc1ccc(Cl)cc1C)C(=O)[O-].CC(Oc2ccc(Cl)cc2C)C(=O)[O-],"InChI=1/2C10H11ClO3.Mg/c2*1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h2*3-5,7H,1-2H3,(H,12,13);/q;;+2/p-2",C10H11ClO3.1/2Mg,,,,,,GQAUCEDULBAZQL-UHFFFAOYSA-L,,,,,,,,,,,
100.045.089,249-613-7,29414-56-0,"2,6-dimethylocta-1,5,7-trien-3-ol","2,6-dimethylocta-1,5,7-trien-3-ol",C=C(C)C(O)CC=C(C)C=C,C=C(C)C(O)CC=C(C)C=C,"InChI=1/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3",C10H16O,,,,,,TYDDWHVJHGIJCW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.090,249-614-2,29418-67-5,2-bromobenzohydrazide,2-bromobenzohydrazide,NNC(=O)c1ccccc1Br,NNC(=O)c1ccccc1Br,"InChI=1/C7H7BrN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)",C7H7BrN2O,,,,,,PQNLAYLOCZKPIY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.093,249-617-9,29421-73-6,"3,5-dibromo-2-methylthiophene","3,5-dibromo-2-methylthiophene",Cc1sc(Br)cc1Br,Cc1sc(Br)cc1Br,"InChI=1/C5H4Br2S/c1-3-4(6)2-5(7)8-3/h2H,1H3",C5H4Br2S,,,,,,OGAJGUIMFMRGRB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.094,249-618-4,29422-01-3,"3,3'-oxybis[tetrahydrothiophene] 1,1,1',1'-tetraoxide","3,3'-oxybis(tetrahydrothiophene) 1,1,1',1'-tetraoxide",O=S1(=O)CCC(C1)OC2CCS(=O)(=O)C2,O=S1(=O)CCC(C1)OC2CCS(=O)(=O)C2,"InChI=1/C8H14O5S2/c9-14(10)3-1-7(5-14)13-8-2-4-15(11,12)6-8/h7-8H,1-6H2",C8H14O5S2,,,,,,LXMDAGYXJGGKTH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.095,249-620-5,29425-97-6,"Decanoic acid, compound with dibutylamine (1:1)",decanoic acid - N-butylbutan-1-amine (1:1),CCCCCCCCCC(=O)O.CCCCNCCCC,CCCCCCCCCC(=O)O.CCCCNCCCC,"InChI=1/C10H20O2.C8H19N/c1-2-3-4-5-6-7-8-9-10(11)12;1-3-5-7-9-8-6-4-2/h2-9H2,1H3,(H,11,12);9H,3-8H2,1-2H3",C10H20O2.C8H19N,,,,,,KFGVBFAJGJHUFK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.096,249-621-0,29426-52-6,"2,2'-[[4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-m-tolyl]imino]bisethyl diacetate","[(3-methyl-4-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}phenyl)imino]diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)c(C)c2,CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)c(C)c2,"InChI=1/C22H26N4O8S/c1-15-13-18(25(9-11-33-16(2)27)10-12-34-17(3)28)5-7-20(15)23-24-21-8-6-19(26(29)30)14-22(21)35(4,31)32/h5-8,13-14H,9-12H2,1-4H3",C22H26N4O8S,,,,,,AGNWOVTXIOJMKI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.561,246-833-5,25319-98-6,"3,5-dichloro-4-hydroxybenzenesulphonic acid","3,5-dichloro-4-hydroxybenzenesulfonic acid",Oc1c(Cl)cc(cc1Cl)S(=O)(=O)O,Oc1c(Cl)cc(cc1Cl)S(=O)(=O)O,"InChI=1/C6H4Cl2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)",C6H4Cl2O4S,,,,,,PGDCAFRJYQICAY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.566,246-838-2,25321-28-2,"Sodium (1,3,5,7-tetramethyloctyl)benzenesulphonate","sodium 2-(1,3,5,7-tetramethyloctyl)benzenesulfonate",[Na+].CC(C)CC(C)CC(C)CC(C)c1ccccc1S(=O)(=O)[O-],[Na+].CC(C)CC(C)CC(C)CC(C)c1ccccc1S(=O)(=O)[O-],"InChI=1/C18H30O3S.Na/c1-13(2)10-14(3)11-15(4)12-16(5)17-8-6-7-9-18(17)22(19,20)21;/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21);/q;+1/p-1",C18H30O3S.Na,,,,,,CIEWOMYXNBKIDA-UHFFFAOYSA-M,,,,,,,,,,,
100.042.569,246-841-9,25322-17-2,Dinonylnaphthalenesulphonic acid,"2,3-dinonylnaphthalene-1-sulfonic acid",CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)O,CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)O,"InChI=1/C28H44O3S/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31)",C28H44O3S,,,,,,WDNQRCVBPNOTNV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.574,246-847-1,25324-52-1,1-(10-methyl-10H-phenothiazin-2-yl)ethan-1-one,1-(10-methyl-10H-phenothiazin-2-yl)ethanone,CN1c2ccccc2Sc3ccc(cc13)C(=O)C,CN1c2ccccc2Sc3ccc(cc13)C(=O)C,"InChI=1/C15H13NOS/c1-10(17)11-7-8-15-13(9-11)16(2)12-5-3-4-6-14(12)18-15/h3-9H,1-2H3",C15H13NOS,,,,,,DGQXIDAJSBKRMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.578,246-851-3,25329-62-8,"[4-[[4-[bis[(3-sulphophenyl)methyl]amino]phenyl][4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium","N-[4-({4-[bis(3-sulfobenzyl)amino]phenyl}[4-(dimethylamino)phenyl]methylene)cyclohexa-2,5-dien-1-ylidene]-N-methylmethanaminium",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(Cc4cccc(c4)S(=O)(=O)O)Cc5cccc(c5)S(=O)(=O)O,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(Cc4cccc(c4)S(=O)(=O)O)Cc5cccc(c5)S(=O)(=O)O,"InChI=1/C37H37N3O6S2/c1-38(2)32-17-11-29(12-18-32)37(30-13-19-33(20-14-30)39(3)4)31-15-21-34(22-16-31)40(25-27-7-5-9-35(23-27)47(41,42)43)26-28-8-6-10-36(24-28)48(44,45)46/h5-24H,25-26H2,1-4H3,(H-,41,42,43,44,45,46)/p+1",C37H37N3O6S2,,,,,,ZBDBYGZFXRDGAY-UHFFFAOYSA-O,,,,,,,,,,,
100.042.591,246-866-5,25338-55-0,[(dimethylamino)methyl]phenol,2-[(dimethylamino)methyl]phenol,CN(C)Cc1ccccc1O,CN(C)Cc1ccccc1O,"InChI=1/C9H13NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3",C9H13NO,,,,,,FUIQBJHUESBZNU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.923,224-114-7,4203-50-3,Tetrahydro-2-phenoxy-2H-pyran,2-phenoxytetrahydro-2H-pyran,C1CCC(Oc2ccccc2)OC1,C1CCC(Oc2ccccc2)OC1,"InChI=1/C11H14O2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2",C11H14O2,,,,,,SHRDVLUJLDYXSO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.924,224-115-2,4203-77-4,"1,1'-diethyl[3,3'-bianthra[1,9-cd]pyrazole]-6,6'(1H,1'H)-dione","1,1'-diethyl-3,3'-bidibenzo[cd,g]indazole-6,6'(1H,1'H)-dione",CCn1nc2c(ccc3C(=O)c4ccccc4c1c23)c5ccc6C(=O)c7ccccc7c8c6c5nn8CC,CCn1nc2c(ccc3C(=O)c4ccccc4c1c23)c5ccc6C(=O)c7ccccc7c8c6c5nn8CC,"InChI=1/C32H22N4O2/c1-3-35-29-19-9-5-7-11-21(19)31(37)23-15-13-17(27(33-35)25(23)29)18-14-16-24-26-28(18)34-36(4-2)30(26)20-10-6-8-12-22(20)32(24)38/h5-16H,3-4H2,1-2H3",C32H22N4O2,,,,,,ARCAURIQGNHJJN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.930,224-122-0,4206-61-5,"2,2'-[oxybis(ethyleneoxymethylene)]bisoxirane","2,2'-[oxybis(ethane-2,1-diyloxymethylene)]dioxirane",C(COCC1CO1)OCCOCC2CO2,C(COCC1CO1)OCCOCC2CO2,"InChI=1/C10H18O5/c1(3-12-5-9-7-14-9)11-2-4-13-6-10-8-15-10/h9-10H,1-8H2",C10H18O5,,,,,,SEFYJVFBMNOLBK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.931,224-123-6,4206-67-1,(iodomethyl)trimethylsilane,(iodomethyl)(trimethyl)silane,C[Si](C)(C)CI,C[Si](C)(C)CI,"InChI=1/C4H11ISi/c1-6(2,3)4-5/h4H2,1-3H3",C4H11ISi,,,,,,VZNYXGQMDSRJAL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.937,224-129-9,4208-61-1,a-ethylfuran-2-methanol,1-(2-furyl)propan-1-ol,CCC(O)c1occc1,CCC(O)c1occc1,"InChI=1/C7H10O2/c1-2-6(8)7-4-3-5-9-7/h3-6,8H,2H2,1H3",C7H10O2,,,,,,MWXWHUXLVXOXBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.938,224-130-4,4208-64-4,a-methylfuran-2-methanol,1-(2-furyl)ethanol,CC(O)c1occc1,CC(O)c1occc1,"InChI=1/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3",C6H8O2,,,,,,UABXUIWIFUZYQK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.939,224-132-5,4208-80-4,"2-(2-((2,4-dimethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium chloride","2-{2-[(2,4-dimethoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium chloride",[Cl-].COc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1,[Cl-].COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1,"InChI=1/C21H24N2O2.ClH/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;/h6-14H,1-5H3;1H",C21H25N2O2.Cl,,,,,,QAMCXJOYXRSXDU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.948,224-141-4,4214-28-2,4-iodo-m-xylene,"1-iodo-2,4-dimethylbenzene",Cc1ccc(I)c(C)c1,Cc1ccc(I)c(C)c1,"InChI=1/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3",C8H9I,,,,,,BUNKQJAMHYKQIM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.951,224-145-6,4214-76-0,5-nitropyrimidin-2-ylamine,5-nitropyrimidin-2-amine,Nc1ncc(cn1)[N+](=O)[O-],Nc1ncc(cn1)[N+](=O)[O-],"InChI=1/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7)",C5H5N3O2,,,,,,SSHFCFRJYJIJDV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.750,223-924-8,4124-30-5,"2,2'-dichloroacetic anhydride",dichloroacetic anhydride,ClC(Cl)C(=O)OC(=O)C(Cl)Cl,ClC(Cl)C(=O)OC(=O)C(Cl)Cl,InChI=1/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H,C4H2Cl4O3,,,,,,RQHMQURGSQBBJY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.754,223-929-5,4124-63-4,Mercaptoacetaldehyde,sulfanylacetaldehyde,SCC=O,SCC=O,"InChI=1/C2H4OS/c3-1-2-4/h1,4H,2H2",C2H4OS,,,,,,FLJWVVUJGVNXMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.758,223-933-7,4125-23-9,2-methyleneheptan-1-al,2-methyleneheptanal,CCCCCC(=C)C=O,CCCCCC(=C)C=O,"InChI=1/C8H14O/c1-3-4-5-6-8(2)7-9/h7H,2-6H2,1H3",C8H14O,,,,,,LDGVIXYITWDQFB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.760,223-935-8,4125-43-3,o-(allyloxy)anisole,1-(allyloxy)-2-methoxybenzene,COc1ccccc1OCC=C,COc1ccccc1OCC=C,"InChI=1/C10H12O2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3-7H,1,8H2,2H3",C10H12O2,,,,,,KWRBXILMRLLABD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.765,223-941-0,4128-94-3,"6,6'-ethylenebis(1,3,5-triazine-2,4-diamine)","6,6'-ethane-1,2-diylbis(1,3,5-triazine-2,4-diamine)",Nc1nc(N)nc(CCc2nc(N)nc(N)n2)n1,Nc1nc(N)nc(CCc2nc(N)nc(N)n2)n1,"InChI=1/C8H12N10/c9-5-13-3(14-6(10)17-5)1-2-4-15-7(11)18-8(12)16-4/h1-2H2,(H4,9,10,13,14,17)(H4,11,12,15,16,18)",C8H12N10,,,,,,ZUHMEUFBTDOKPX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.768,223-944-7,4130-35-2,"Tridecyl benzene-1,2,4-tricarboxylate","tris(decyl) benzene-1,2,4-tricarboxylate",CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCC)c(c1)C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCC)c(c1)C(=O)OCCCCCCCCCC,"InChI=1/C39H66O6/c1-4-7-10-13-16-19-22-25-30-43-37(40)34-28-29-35(38(41)44-31-26-23-20-17-14-11-8-5-2)36(33-34)39(42)45-32-27-24-21-18-15-12-9-6-3/h28-29,33H,4-27,30-32H2,1-3H3",C39H66O6,,,,,,SMYKBXMWXCZOLU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.769,223-945-2,4130-42-1,"2,6-di-tert-butyl-4-ethylphenol","2,6-di-tert-butyl-4-ethylphenol",CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3",C16H26O,,,,,,BVUXDWXKPROUDO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.774,223-951-5,9/10/4132,Tri(cyclohexyl) citrate,tricyclohexyl citrate,OC(CC(=O)OC1CCCCC1)(CC(=O)OC2CCCCC2)C(=O)OC3CCCCC3,OC(CC(=O)OC1CCCCC1)(CC(=O)OC2CCCCC2)C(=O)OC3CCCCC3,"InChI=1/C24H38O7/c25-21(29-18-10-4-1-5-11-18)16-24(28,23(27)31-20-14-8-3-9-15-20)17-22(26)30-19-12-6-2-7-13-19/h18-20,28H,1-17H2",C24H38O7,,,,,,CBKMOPGKNJBDFA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.099,249-624-7,29430-26-0,17ß-hydroxyandrost-4-en-3-one undecenoate,3-oxoandrost-4-en-17-yl undec-2-enoate,CCCCCCCCC=CC(=O)O[C@H]2CC[C@H]3[C@@H]4CC\\C1=C\\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,CCCCCCCCC=CC(=O)O[C@H]2CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C,"InChI=1/C30H46O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h11-12,21,24-27H,4-10,13-20H2,1-3H3",C30H46O3,,,,,,UKXTYROVWMZNKE-CNQKSJKFSA-N,,,,,,,,,,,
100.042.554,246-825-1,25317-34-4,5-[(4-acetamido-2-sulphonatophenyl)azo]-6-amino-4-hydroxynaphthalene-2-sulphonic acid,5-acetamido-2-[(2-amino-8-hydroxy-6-sulfo-1-naphthyl)diazenyl]benzenesulfonate,CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O)c(c3)S([O-])(=O)=O,CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O)c(c3)S([O-])(=O)=O,"InChI=1/C18H16N4O8S2/c1-9(23)20-11-3-5-14(16(7-11)32(28,29)30)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)/p-1",C18H16N4O8S2,,,,,,IJPUPVHRAZCFRI-UHFFFAOYSA-M,,,,,,,,,,,
100.042.557,246-828-8,25317-48-0,7-(acetylamino)-3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,7-acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid,CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S(O)(=O)=O,CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S(O)(=O)=O,"InChI=1/C20H18N4O6S/c1-11(25)21-14-3-5-15(6-4-14)23-24-19-18(31(28,29)30)10-13-9-16(22-12(2)26)7-8-17(13)20(19)27/h3-10,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)",C20H18N4O6S,,,,,,CECGUGFIJCQUOO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.560,246-831-4,25319-90-8,S-ethyl (4-chloro-2-methylphenoxy)ethanethioate,S-ethyl (4-chloro-2-methylphenoxy)ethanethioate,CCSC(=O)COc1ccc(Cl)cc1C,CCSC(=O)COc1ccc(Cl)cc1C,"InChI=1/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3",C11H13ClO2S,,,,,,AZFKQCNGMSSWDS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.568,246-840-3,25321-43-1,Octylbenzenesulphonic acid,2-octylbenzenesulfonic acid,CCCCCCCCc1ccccc1S(=O)(=O)O,CCCCCCCCc1ccccc1S(=O)(=O)O,"InChI=1/C14H22O3S/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18(15,16)17/h8-9,11-12H,2-7,10H2,1H3,(H,15,16,17)",C14H22O3S,,,,,,QWHHBVWZZLQUIH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.573,246-846-6,25324-14-5,Hexadecyldimethylammonium acetate,"N,N-dimethylhexadecan-1-aminium acetate",CCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],CCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],"InChI=1/C18H39N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2(3)4/h4-18H2,1-3H3;1H3,(H,3,4)",C18H39N.C2H4O2,,,,,,VGUANSONTIBISX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.576,246-849-2,25327-03-1,Manganese dithiocyanate,manganese(2+) bis(thiocyanate),[Mn+2].[S-]C#N.[S-]C#N,[Mn+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Mn/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Mn,,,,,,FRYUOUHISNWFTE-UHFFFAOYSA-L,,,,,,,,,,,
100.042.590,246-864-4,25338-54-9,(hydroxybenzyl)dimethylammonium chloride,"(2-hydroxyphenyl)-N,N-dimethylmethanaminium chloride",[Cl-].C[NH+](C)Cc1ccccc1O,[Cl-].C[NH+](C)Cc1ccccc1O,"InChI=1/C9H13NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h3-6,11H,7H2,1-2H3;1H",C9H13NO.ClH,,,,,,CDKBMGVNKAKAPA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.593,246-868-6,25339-09-7,Isohexadecyl stearate,14-methylpentadecyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C,"InChI=1/C34H68O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34(35)36-32-29-26-23-20-17-14-15-18-21-24-27-30-33(2)3/h33H,4-32H2,1-3H3",C34H68O2,,,,,,LGEZTMRIZWCDLW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.270,244-313-2,21285-46-1,"(E)-2,3-dibromo-2-butene-1,4-diol","2,3-dibromobut-2-ene-1,4-diol",OC\\C(=C(/Br)\\CO)\\Br,OC\C(=C(/Br)\CO)\Br,"InChI=1/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2",C4H6Br2O2,,,,,,MELXIJRBKWTTJH-ONEGZZNKSA-N,,,,,,,,,,,
100.040.276,244-320-0,21295-57-8,"6-(cyclohexylamino)-3-methyl-3H-dibenz[f,ij]isoquinoline-2,7-dione","6-(cyclohexylamino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione",CN1C(=O)C=C2c3ccccc3C(=O)c4c(NC5CCCCC5)ccc1c24,CN1C(=O)C=C2c3ccccc3C(=O)c4c(NC5CCCCC5)ccc1c24,"InChI=1/C23H22N2O2/c1-25-19-12-11-18(24-14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h5-6,9-14,24H,2-4,7-8H2,1H3",C23H22N2O2,,,,,,JZGUXCXDBKBCDN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.278,244-322-1,21298-55-5,2-(3-thienyl)pyridine,2-(3-thienyl)pyridine,c1ccc(nc1)c2ccsc2,c1ccc(nc1)c2ccsc2,InChI=1/C9H7NS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h1-7H,C9H7NS,,,,,,MINKMXOCFYGGKA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.281,244-325-8,21302-09-0,Didodecyl phosphonate,didodecyl phosphonate,CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC,"InChI=1/C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-24H2,1-2H3",C24H51O3P,,,,,,KQWYQZYVKPPMBX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.289,244-334-7,21324-40-3,Lithium hexafluorophosphate(1-),lithium hexafluorophosphate,[Li+].F[P-](F)(F)(F)(F)F,[Li+].F[P-](F)(F)(F)(F)F,"InChI=1/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1",F6P.Li,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13201,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.289,AXPLOJNSKRXQPA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.293,244-338-9,21346-66-7,2-chloro-5-(fluorosulpho)benzoic acid,2-chloro-5-(fluorosulfonyl)benzoic acid,OC(=O)c1cc(ccc1Cl)S(=O)(=O)F,OC(=O)c1cc(ccc1Cl)S(=O)(=O)F,"InChI=1/C7H4ClFO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)",C7H4ClFO4S,,,,,,HXVUCIYXBTYQLK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.639,246-919-2,25377-82-6,Tridecene,tridec-1-ene,CCCCCCCCCCCC=C,CCCCCCCCCCCC=C,"InChI=1/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3",C13H26,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2007,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.639,VQOXUMQBYILCKR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.644,246-925-5,25379-20-8,2-phenylindolizine,2-phenylindolizine,c1ccc(cc1)c2cc3ccccn3c2,c1ccc(cc1)c2cc3ccccn3c2,InChI=1/C14H11N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-11H,C14H11N,,,,,,JMCYJDYOEWQZDE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.645,246-926-0,25379-26-4,Tetrahydro-a-(1-naphthylmethyl)furan-2-propionic acid,3-(1-naphthyl)-2-(tetrahydrofuran-2-ylmethyl)propanoic acid,OC(=O)C(CC1CCCO1)Cc2cccc3ccccc23,OC(=O)C(CC1CCCO1)Cc2cccc3ccccc23,"InChI=1/C18H20O3/c19-18(20)15(12-16-8-4-10-21-16)11-14-7-3-6-13-5-1-2-9-17(13)14/h1-3,5-7,9,15-16H,4,8,10-12H2,(H,19,20)",C18H20O3,,,,,,VEJYFDMNWGFBCT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.444,250-004-3,30023-13-3,"Chloro-29H,31H-phthalocyanine",1-chlorophthalocyanine,Clc1cccc2C3=NC(=NC4=NC(=NC5=NC(=NC6=NC(=N3)c7ccccc67)c8ccccc58)c9ccccc49)c12,Clc1cccc2C3=NC(=NC4=NC(=NC5=NC(=NC6=NC(=N3)c7ccccc67)c8ccccc58)c9ccccc49)c12,InChI=1/C32H15ClN8/c33-23-15-7-14-22-24(23)32-40-30-21-13-6-5-12-20(21)28(38-30)36-26-17-9-2-1-8-16(17)25(34-26)35-27-18-10-3-4-11-19(18)29(37-27)39-31(22)41-32/h1-15H,C32H17ClN8,,,,,,SFMWNZAYHPPCSH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.450,250-011-1,30043-55-1,"1-[5-(butylsulphonyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea","1-[5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea",CCCCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC,CCCCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC,"InChI=1/C9H16N4O3S2/c1-4-5-6-18(15,16)9-12-11-8(17-9)13(3)7(14)10-2/h4-6H2,1-3H3,(H,10,14)",C9H16N4O3S2,,,,,,JIGPTDXPKKMNCN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.461,250-023-7,30071-93-3,"1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one","1-[3,5-bis(trifluoromethyl)phenyl]ethanone",CC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,CC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3",C10H6F6O,,,,,,MCYCSIKSZLARBD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.465,250-027-9,30076-98-3,"1,1-dimethoxy-3-phenylpropane","(3,3-dimethoxypropyl)benzene",COC(CCc1ccccc1)OC,COC(CCc1ccccc1)OC,"InChI=1/C11H16O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3",C11H16O2,,,,,,PQAOFUQAZBGCQK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.468,250-031-0,30077-88-4,3-morpholino-2-veratrylacrylonitrile,"2-(3,4-dimethoxybenzyl)-3-morpholin-4-ylacrylonitrile",COc1ccc(C\\C(=C/N2CCOCC2)\\C#N)cc1OC,COc1ccc(C\C(=C/N2CCOCC2)\C#N)cc1OC,"InChI=1/C16H20N2O3/c1-19-15-4-3-13(10-16(15)20-2)9-14(11-17)12-18-5-7-21-8-6-18/h3-4,10,12H,5-9H2,1-2H3",C16H20N2O3,,,,,,RENFBGHOGQAHSK-WYMLVPIESA-N,,,,,,,,,,,
100.045.469,250-032-6,30078-01-4,"3-methoxy-2-(3,4,5-trimethoxybenzyl)propiononitrile","3-methoxy-2-(3,4,5-trimethoxybenzyl)propanenitrile",COCC(Cc1cc(OC)c(OC)c(OC)c1)C#N,COCC(Cc1cc(OC)c(OC)c(OC)c1)C#N,"InChI=1/C14H19NO4/c1-16-9-11(8-15)5-10-6-12(17-2)14(19-4)13(7-10)18-3/h6-7,11H,5,9H2,1-4H3",C14H17NO4,,,,,,GKCVBTJCNBAQFH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.470,250-033-1,30078-48-9,"3-anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile","3-anilino-2-(3,4,5-trimethoxybenzyl)acrylonitrile",COc1cc(CC(=CNc2ccccc2)C#N)cc(OC)c1OC,COc1cc(CC(=CNc2ccccc2)C#N)cc(OC)c1OC,"InChI=1/C19H20N2O3/c1-22-17-10-14(11-18(23-2)19(17)24-3)9-15(12-20)13-21-16-7-5-4-6-8-16/h4-8,10-11,13,21H,9H2,1-3H3",C19H20N2O3,,,,,,LMGNGGBSQVPQCO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.476,250-039-4,30090-17-6,4-isobutylaniline,4-isobutylaniline,CC(C)Cc1ccc(N)cc1,CC(C)Cc1ccc(N)cc1,"InChI=1/C10H15N/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7,11H2,1-2H3",C10H15N,,,,,,JSHQATXVCGCYJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.479,250-043-6,30093-91-5,2-mercaptoethyl palmitate,2-sulfanylethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCS,CCCCCCCCCCCCCCCC(=O)OCCS,"InChI=1/C18H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17-21/h21H,2-17H2,1H3",C18H36O2S,,,,,,JNHUZSVMIPOGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.485,250-049-9,30100-15-3,Pentyl anthranilate,pentyl 2-aminobenzoate,CCCCCOC(=O)c1ccccc1N,CCCCCOC(=O)c1ccccc1N,"InChI=1/C12H17NO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8H,2-3,6,9,13H2,1H3",C12H17NO2,,,,,,JCKCYPSMCQDSHT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.486,250-050-4,30100-35-7,p-anisyl-p-benzoquinone,"2-(4-methoxyphenyl)-1,4-benzoquinone",COc1ccc(cc1)C2=CC(=O)C=CC2=O,COc1ccc(cc1)C2=CC(=O)C=CC2=O,"InChI=1/C13H10O3/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,1H3",C13H10O3,,,,,,LMZUGHSRDZORTH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.488,250-053-0,30110-74-8,Tetramethyldisiloxane,"1,1,1,3-tetramethyldisiloxane",C[SiH2]O[Si](C)(C)C,C[SiH2]O[Si](C)(C)C,"InChI=1/C4H14OSi2/c1-6-5-7(2,3)4/h6H2,1-4H3",C4H14OSi2,,,,,,UHUUYVZLXJHWDV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.325,246-574-8,25027-56-9,Methyl a-methyl-4-morpholinepropionate hydrochloride,methyl 2-methyl-3-morpholin-4-ylpropanoate hydrochloride,Cl.COC(=O)C(C)CN1CCOCC1,Cl.COC(=O)C(C)CN1CCOCC1,"InChI=1/C9H17NO3.ClH/c1-8(9(11)12-2)7-10-3-5-13-6-4-10;/h8H,3-7H2,1-2H3;1H",C9H17NO3.ClH,,,,,,QHUYHTGASRLKKU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.592,246-867-0,25338-58-3,"26-(octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosanoic acid","26-(2-octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-oic acid",CCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O,CCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O,"InChI=1/C32H56O11/c1-2-3-4-5-6-7-10-30-11-8-9-12-31(30)43-28-27-41-24-23-39-20-19-37-16-15-35-13-14-36-17-18-38-21-22-40-25-26-42-29-32(33)34/h8-9,11-12H,2-7,10,13-29H2,1H3,(H,33,34)",C32H56O11,,,,,,LQGIRXNHIMWFSU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.594,246-869-1,25339-17-7,Isodecyl alcohol,8-methylnonan-1-ol,CC(C)CCCCCCCO,CC(C)CCCCCCCO,"InChI=1/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3",C10H22O,,,,,,PLLBRTOLHQQAQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.269,244-312-7,21285-27-8,N-[1-[(benzyloxy)carbonyl]-L-prolyl]-L-valine,1-[(benzyloxy)carbonyl]-L-prolyl-L-valine,CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2)C(=O)O,CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2)C(=O)O,"InChI=1/C18H24N2O5/c1-12(2)15(17(22)23)19-16(21)14-9-6-10-20(14)18(24)25-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,19,21)(H,22,23)",C18H24N2O5,,,,,,RMPUPQMKXGKXSG-GJZGRUSLSA-N,,,,,,,,,,,
100.040.272,244-315-3,21288-34-6,3-benzoylphenylacetonitrile,(3-benzoylphenyl)acetonitrile,N#CCc1cc(ccc1)C(=O)c2ccccc2,N#CCc1cc(ccc1)C(=O)c2ccccc2,"InChI=1/C15H11NO/c16-10-9-12-5-4-8-14(11-12)15(17)13-6-2-1-3-7-13/h1-8,11H,9H2",C15H11NO,,,,,,MHKMCTCMEDUINO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.282,244-326-3,21302-20-5,Bis(2-ethylhexyl) glutarate,bis(2-ethylhexyl) glutarate,CCCCC(CC)COC(=O)CCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCCC(=O)OCC(CC)CCCC,"InChI=1/C21H40O4/c1-5-9-12-18(7-3)16-24-20(22)14-11-15-21(23)25-17-19(8-4)13-10-6-2/h18-19H,5-17H2,1-4H3",C21H40O4,,,,,,ABXLQQAKBRIHIT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.283,244-327-9,21305-90-8,"N,N-bis(dimethylsilyl)acetamide","N,N-bis(dimethylsilyl)acetamide",C[SiH](C)N([SiH](C)C)C(=O)C,C[SiH](C)N([SiH](C)C)C(=O)C,"InChI=1/C6H17NOSi2/c1-6(8)7(9(2)3)10(4)5/h9-10H,1-5H3",C6H17NOSi2,,,,,,LWCKIXGGORQGAL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.307,244-354-6,21379-91-9,"1,1,3,3-tetrakis(allyloxy)propane","3,3',3'',3'''-[propane-1,1,3,3-tetrayltetrakis(oxy)]tetrakis(prop-1-ene)",C=CCOC(CC(OCC=C)OCC=C)OCC=C,C=CCOC(CC(OCC=C)OCC=C)OCC=C,"InChI=1/C15H24O4/c1-5-9-16-14(17-10-6-2)13-15(18-11-7-3)19-12-8-4/h5-8,14-15H,1-4,9-13H2",C15H24O4,,,,,,NEEDSGVZOLMNNC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.903,248-309-1,27189-59-9,Tributyl(nicotinoyloxy)stannane,3-{[(tributylstannyl)oxy]carbonyl}pyridine,CCCC[Sn](CCCC)(CCCC)OC(=O)c1cccnc1,CCCC[Sn](CCCC)(CCCC)OC(=O)c1cccnc1,"InChI=1/C6H5NO2.3C4H9.Sn/c8-6(9)5-2-1-3-7-4-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H31NO2Sn/c1-4-7-13-22(14-8-5-2,15-9-6-3)21-18(20)17-11-10-12-19-16-17/h10-12,16H,4-9,13-15H2,1-3H3",C18H31NO2Sn,,,,,,RXWDMDWQNOJWJY-UHFFFAOYSA-M,,,,,,,,,,,
100.043.907,248-313-3,27193-93-7,Nonylnaphthalene,1-nonylnaphthalene,CCCCCCCCCc1cccc2ccccc12,CCCCCCCCCc1cccc2ccccc12,"InChI=1/C19H26/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18/h9-11,13-16H,2-8,12H2,1H3",C19H26,,,,,,AZLNHMGSTZDDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.909,248-315-4,27194-74-7,"Lauric acid, monoester with propane-1,2-diol",2-hydroxypropyl laurate,CCCCCCCCCCCC(=O)OCC(C)O,CCCCCCCCCCCC(=O)OCC(C)O,"InChI=1/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3",C15H30O3,,,,,,BHIZVZJETFVJMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.912,248-319-6,27203-92-5,Tramadol,2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol,COc1cccc(c1)[C@@]2(O)CCCC[C@@H]2CN(C)C,COc1cccc(c1)[C@@]2(O)CCCC[C@@H]2CN(C)C,"InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3",C16H25NO2,,,,,,TVYLLZQTGLZFBW-ZBFHGGJFSA-N,Positive,AU111701|AU111702|AU111703|AU111704|AU111705;EA256701|EA256702|EA256703|EA256704|EA256705|EA256706|EA256707|EA256708|EA256709|EA256710|EA256711|EA256712|EA256713|EA256714;UF410303|UF410304,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;CID35|CID55,264.1957:246.1839|264.1954:246.1839:201.1268|159.0794:121.0635:173.0939|121.0644:159.0795:144.0561|121.0648:144.0569:128.0611;246.1851|264.1959:58.0651:246.1851|58.0652:264.196:246.1851|58.0651:56.0494|58.0651:121.0646|58.0651:121.0646|58.0652:121.0651|264.1961:58.0652:246.185|58.0651:264.1962:246.185|58.0651:264.1956:246.186|58.0651:56.0495:121.0648|58.0651:121.0648|58.0651:121.0647:56.0494|246.185;246.1855:187.1115|246.1855:187.1119,Athens_Univ;Eawag;UFZ,,,,,
100.043.916,248-323-8,27206-01-5,"Sodium O,O-dipentyl dithiophosphate","sodium O,O-dipentyl dithiophosphate",[Na+].CCCCCOP(=S)([S-])OCCCCC,[Na+].CCCCCOP(=S)([S-])OCCCCC,"InChI=1/C10H23O2PS2.Na/c1-3-5-7-9-11-13(14,15)12-10-8-6-4-2;/h3-10H2,1-2H3,(H,14,15);/q;+1/p-1",C10H23O2PS2.Na,,,,,,UKCIYZVRTIDEPF-UHFFFAOYSA-M,,,,,,,,,,,
100.043.918,248-325-9,27213-78-1,tert-butylpyrocatechol,"3-tert-butylbenzene-1,2-diol",CC(C)(C)c1cccc(O)c1O,CC(C)(C)c1cccc(O)c1O,"InChI=1/C10H14O2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,11-12H,1-3H3",C10H14O2,,,,,,JIGUICYYOYEXFS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.919,248-326-4,27213-90-7,Sodium diisobutylnaphthalenesulphonate,"sodium 2,3-diisobutylnaphthalene-1-sulfonate",[Na+].CC(C)Cc1cc2ccccc2c(c1CC(C)C)S(=O)(=O)[O-],[Na+].CC(C)Cc1cc2ccccc2c(c1CC(C)C)S(=O)(=O)[O-],"InChI=1/C18H24O3S.Na/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4;/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21);/q;+1/p-1",C18H24O3S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11856,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.919,PYODKQIVQIVELM-UHFFFAOYSA-M,,,,,,,,,,,
100.043.921,248-329-0,27214-38-6,Glycerol monomyristate,2-hydroxy-1-(hydroxymethyl)ethyl myristate,CCCCCCCCCCCCCC(=O)OC(CO)CO,CCCCCCCCCCCCCC(=O)OC(CO)CO,"InChI=1/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h16,18-19H,2-15H2,1H3",C17H34O4,,,,,,TVIMZSOUQXNWHO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.778,223-955-7,4136-21-4,a-hydroxy-4'-methoxyacetophenone,2-hydroxy-1-(4-methoxyphenyl)ethanone,COc1ccc(cc1)C(=O)CO,COc1ccc(cc1)C(=O)CO,"InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3",C9H10O3,,,,,,YTOKFOPFITZGDM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.784,223-962-5,4138-26-5,Piperidine-3-carboxamide,piperidine-3-carboxamide,NC(=O)C1CCCNC1,NC(=O)C1CCCNC1,"InChI=1/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)",C6H12N2O,,,,,,BVOCPVIXARZNQN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.785,223-963-0,4138-96-9,Canrenoic acid,"3-(17-hydroxy-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid (non-preferred name)",C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)CCC(=O)O,C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)CCC(=O)O,"InChI=1/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25)",C22H30O4,,,,,,PBKZPPIHUVSDNM-WNHSNXHDSA-N,,,,,,,,,,,
100.021.788,223-966-7,4142-74-9,"a2,a2'-[oxybis(ethylenethio)]bis[6-nonyl-2,4-xylenol]","2,2'-[oxybis(ethane-2,1-diylsulfanediylmethylene)]bis(4-methyl-6-nonylphenol)",CCCCCCCCCc1cc(C)cc(CSCCOCCSCc2cc(C)cc(CCCCCCCCC)c2O)c1O,CCCCCCCCCc1cc(C)cc(CSCCOCCSCc2cc(C)cc(CCCCCCCCC)c2O)c1O,"InChI=1/C38H62O3S2/c1-5-7-9-11-13-15-17-19-33-25-31(3)27-35(37(33)39)29-42-23-21-41-22-24-43-30-36-28-32(4)26-34(38(36)40)20-18-16-14-12-10-8-6-2/h25-28,39-40H,5-24,29-30H2,1-4H3",C38H62O3S2,,,,,,ZHEOXZXROVDONK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.503,222-552-3,3528-64-1,"N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine","N-[2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCCC=CCCCCCCC\\C1=N\\CCN1CCNCCN,CCCCCCCCC=CCCCCCCC\C1=N\CCN1CCNCCN,"InChI=1/C24H48N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h9-10,26H,2-8,11-23,25H2,1H3",C24H48N4,,,,,,SYNVBUPZJKYKQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.517,222-568-0,3535-37-3,Veratroyl chloride,"3,4-dimethoxybenzoyl chloride",COc1ccc(cc1OC)C(=O)Cl,COc1ccc(cc1OC)C(=O)Cl,"InChI=1/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3",C9H9ClO3,,,,,,VIOBGCWEHLRBEP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.525,222-576-4,3537-86-8,Dibutylchloroaluminium,dibutyl(chloro)aluminum,CCCC[Al](Cl)CCCC,CCCC[Al](Cl)CCCC,"InChI=1/2C4H9.Al.ClH/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;1H/q;;+1;/p-1/rC8H18AlCl/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3",C8H18AlCl,,,,,,VJRUISVXILMZSL-UHFFFAOYSA-M,,,,,,,,,,,
100.020.526,222-578-5,3538-36-1,Bis[2-(hexyloxy)ethyl] hydrogen phosphate,bis[2-(hexyloxy)ethyl] hydrogen phosphate,CCCCCCOCCOP(=O)(O)OCCOCCCCCC,CCCCCCOCCOP(=O)(O)OCCOCCCCCC,"InChI=1/C16H35O6P/c1-3-5-7-9-11-19-13-15-21-23(17,18)22-16-14-20-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)",C16H35O6P,,,,,,AUPWKFREAREWIL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.529,222-581-1,3539-43-3,Hexadecyl dihydrogen phosphate,hexadecyl dihydrogen phosphate,CCCCCCCCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCCCCCCCOP(=O)(O)O,"InChI=1/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)",C16H35O4P,,,,,,ZUVCYFMOHFTGDM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.530,222-582-7,3540-36-1,"(3,4-dihydro-2H-pyran-2-yl)methyl 3,4-dihydro-2H-pyran-2-carboxylate","3,4-dihydro-2H-pyran-2-ylmethyl 3,4-dihydro-2H-pyran-2-carboxylate",O=C(OCC1CCC=CO1)C2CCC=CO2,O=C(OCC1CCC=CO1)C2CCC=CO2,"InChI=1/C12H16O4/c13-12(11-6-2-4-8-15-11)16-9-10-5-1-3-7-14-10/h3-4,7-8,10-11H,1-2,5-6,9H2",C12H16O4,,,,,,OPRHFGGPAJOHSF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.539,222-592-1,3545-67-3,"N4-(7-chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride","N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine dihydrochloride",Cl.Cl.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,Cl.Cl.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,"InChI=1/C18H26ClN3.2ClH/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;;/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1H",C18H26ClN3.2ClH,,,,,,PCFGECQRSMVKCC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.540,222-593-7,3545-76-4,"Inosine cyclic 3',5'-(hydrogen phosphate)","9-(2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1,9-dihydro-6H-purin-6-one",OC1C2OP(=O)(O)OCC2OC1n3cnc4C(=O)NC=Nc34,OC1C2OP(=O)(O)OCC2OC1n3cnc4C(=O)NC=Nc34,"InChI=1/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)",C10H11N4O7P,,,,,,DMJWGQPYNRPLGA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.541,222-594-2,3546-03-0,Cyamemazine,10-[3-(dimethylamino)-2-methylpropyl]-10H-phenothiazine-2-carbonitrile,CC(CN(C)C)CN1c2ccccc2Sc3ccc(cc13)C#N,CC(CN(C)C)CN1c2ccccc2Sc3ccc(cc13)C#N,"InChI=1/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3",C19H21N3S,,,,,,SLFGIOIONGJGRT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.538,220-391-3,2750-81-4,"1,4-dichloro-5-nitronaphthalene","1,4-dichloro-5-nitronaphthalene",[O-][N+](=O)c1cccc2c(Cl)ccc(Cl)c12,[O-][N+](=O)c1cccc2c(Cl)ccc(Cl)c12,InChI=1/C10H5Cl2NO2/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13(14)15/h1-5H,C10H5Cl2NO2,,,,,,UFYHMOUUBQRTOS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.297,244-343-6,21351-39-3,Uronium hydrogen sulphate,amino(hydroxy)methaniminium hydrogen sulfate,NC(=[NH2+])O.[O-]S(=O)(=O)[O-],NC(=[NH2+])O.[O-]S(=O)(=O)[O-],"InChI=1/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)/p-1",CH4N2O.H2O4S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5241,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.297,SSBRSHIQIANGKS-UHFFFAOYSA-M,,,,,,,,,,,
100.040.298,244-344-1,21351-79-1,Caesium hydroxide,caesium hydroxide,[OH-].[Cs+],[OH-].[Cs+],InChI=1/Cs.H2O/h;1H2/q+1;/p-1,CsHO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10282,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.298,HUCVOHYBFXVBRW-UHFFFAOYSA-M,,,,,,,,,,,
100.040.299,244-345-7,21354-01-8,N-(2-nitrosophenyl)acetamide,N-(2-nitrosophenyl)acetamide,CC(=O)Nc1ccccc1N=O,CC(=O)Nc1ccccc1N=O,"InChI=1/C8H8N2O2/c1-6(11)9-7-4-2-3-5-8(7)10-12/h2-5H,1H3,(H,9,11)",C8H8N2O2,,,,,,AEMQSBVTDQQBGB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.312,244-359-3,21394-48-9,N-(1-oxodecyl)-DL-methionine,N-decanoyl-L-methionine,CCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,CCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C15H29NO3S/c1-3-4-5-6-7-8-9-10-14(17)16-13(15(18)19)11-12-20-2/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)",C15H29NO3S,,,,,,PECAWSDTQIFOPF-ZDUSSCGKSA-N,,,,,,,,,,,
100.040.315,244-363-5,21394-57-0,N-myristoyl-L-serine,N-tetradecanoyl-L-serine,CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O,CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O,"InChI=1/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)18-15(14-19)17(21)22/h15,19H,2-14H2,1H3,(H,18,20)(H,21,22)",C17H33NO4,,,,,,PNOPPKWUFKUHSX-HNNXBMFYSA-N,,,,,,,,,,,
100.043.897,248-302-3,27180-93-4,3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-1H-azepinium bromide,3-ethyl-3-(3-methoxyphenyl)-1-methylazepanium bromide,[Br-].CCC1(CCCC[NH+](C)C1)c2cccc(OC)c2,[Br-].CCC1(CCCC[NH+](C)C1)c2cccc(OC)c2,"InChI=1/C16H25NO.BrH/c1-4-16(10-5-6-11-17(2)13-16)14-8-7-9-15(12-14)18-3;/h7-9,12H,4-6,10-11,13H2,1-3H3;1H",C16H25NO.BrH,,,,,,CJYWSCFDTNTWQR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.899,248-304-4,27184-69-6,"4,4'-[p-phenylenebis(azo)]di-m-cresol","4,4'-(1,4-phenylenedidiazene-2,1-diyl)bis(3-methylphenol)",Oc3cc(C)c(N=Nc2ccc(N=Nc1ccc(O)cc1C)cc2)cc3,Oc3cc(C)c(N=Nc2ccc(N=Nc1ccc(O)cc1C)cc2)cc3,"InChI=1/C20H18N4O2/c1-13-11-17(25)7-9-19(13)23-21-15-3-5-16(6-4-15)22-24-20-10-8-18(26)12-14(20)2/h3-12,25-26H,1-2H3",C20H18N4O2,,,,,,ZSSHNGKTCZEMRU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.901,248-307-0,27185-77-9,"2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one","2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one",CC1(C)CCC(=O)C(\\C)=C1\\C=CC(C)=O,CC1(C)CCC(=O)C(\C)=C1\C=CC(C)=O,"InChI=1/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3",C13H18O2,,,,,,OBHGOXFSRVNKBS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.905,248-311-2,27193-69-7,"Trimethylcyclododeca-1,5,9-triene","1,2,3-trimethylcyclododeca-1,5,9-triene",CC1C\\C=C\\CC\\C=C\\CC\\C(=C\\1/C)\\C,CC1C\C=C\CC\C=C\CC\C(=C\1/C)\C,"InChI=1/C15H24/c1-13-11-9-7-5-4-6-8-10-12-14(2)15(13)3/h5,7-8,10,14H,4,6,9,11-12H2,1-3H3",C15H24,,,,,,FWASXIQNCSBDAF-NSOGBXJBSA-N,,,,,,,,,,,
100.043.908,248-314-9,27194-63-4,Diethyl dihydrogen diphosphate,diethyl dihydrogen diphosphate,CCOP(=O)(O)OP(=O)(O)OCC,CCOP(=O)(O)OP(=O)(O)OCC,"InChI=1/C4H12O7P2/c1-3-9-12(5,6)11-13(7,8)10-4-2/h3-4H2,1-2H3,(H,5,6)(H,7,8)",C4H12O7P2,,,,,,RUZMUTWCUZLWQU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.920,248-328-5,27214-00-2,Calcium glycerophosphate,"calcium 2,3-dihydroxypropyl phosphate",[Ca+2].OCC(O)COP(=O)([O-])[O-],[Ca+2].OCC(O)COP(=O)([O-])[O-],"InChI=1/C3H9O6P.Ca/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.Ca,,,,,,IWIRHXNCFWGFJE-UHFFFAOYSA-L,,,,,,,,,,,
100.043.927,248-335-3,27215-22-1,Benzyl isooctyl phthalate,6-methylheptyl 4-methylphenyl phthalate,CC(C)CCCCCOC(=O)c1ccccc1C(=O)Oc2ccc(C)cc2,CC(C)CCCCCOC(=O)c1ccccc1C(=O)Oc2ccc(C)cc2,"InChI=1/C23H28O4/c1-17(2)9-5-4-8-16-26-22(24)20-10-6-7-11-21(20)23(25)27-19-14-12-18(3)13-15-19/h6-7,10-15,17H,4-5,8-9,16H2,1-3H3",C23H28O4,,,,,,OJTKBTGQAKWTED-UHFFFAOYSA-N,,,,,,,,,,,
100.043.936,248-345-8,27220-61-7,"8-ethyl-3-[[3-(formylamino)salicyloyl]amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl butyrate","8-ethyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl butyrate (non-preferred name)",CCCC(=O)OC1C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC(=O)C1CC,CCCC(=O)OC1C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC(=O)C1CC,"InChI=1/C23H30N2O9/c1-5-8-17(27)34-20-13(4)33-23(31)18(12(3)32-22(30)14(20)6-2)25-21(29)15-9-7-10-16(19(15)28)24-11-26/h7,9-14,18,20,28H,5-6,8H2,1-4H3,(H,24,26)(H,25,29)",C23H30N2O9,,,,,,XGXWTVAUUWDQJF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.939,248-348-4,27230-51-9,(4-pyridylthio)acetyl chloride hydrochloride,(pyridin-4-ylsulfanyl)acetyl chloride hydrochloride,Cl.ClC(=O)CSc1ccncc1,Cl.ClC(=O)CSc1ccncc1,"InChI=1/C7H6ClNOS.ClH/c8-7(10)5-11-6-1-3-9-4-2-6;/h1-4H,5H2;1H",C7H6ClNOS.ClH,,,,,,ONINFWNBKWMUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.941,248-351-0,27233-00-7,"1,2,3-propanetriyl tris[acetoxyoctadecanoate]","propane-1,2,3-triyl tris(2-acetoxyoctadecanoate)",CCCCCCCCCCCCCCCCC(OC(=O)C)C(=O)OCC(COC(=O)C(CCCCCCCCCCCCCCCC)OC(=O)C)OC(=O)C(CCCCCCCCCCCCCCCC)OC(=O)C,CCCCCCCCCCCCCCCCC(OC(=O)C)C(=O)OCC(COC(=O)C(CCCCCCCCCCCCCCCC)OC(=O)C)OC(=O)C(CCCCCCCCCCCCCCCC)OC(=O)C,"InChI=1/C63H116O12/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(72-54(4)64)61(67)70-52-57(75-63(69)60(74-56(6)66)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3)53-71-62(68)59(73-55(5)65)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2/h57-60H,7-53H2,1-6H3",C63H116O12,,,,,,FIAOEEIGYNLOMC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.327,246-576-9,25029-11-2,"trans-1,4-bis(2-isothiocyanatoethyl)cyclohexane","1,4-bis(2-isothiocyanatoethyl)cyclohexane",S=C=NCC[C@@H]1CC[C@@H](CCN=C=S)CC1,S=C=NCC[C@@H]1CC[C@@H](CCN=C=S)CC1,"InChI=1/C12H18N2S2/c15-9-13-7-5-11-1-2-12(4-3-11)6-8-14-10-16/h11-12H,1-8H2",C12H18N2S2,,,,,,GQSJCHSMDBWAQK-HAQNSBGRSA-N,,,,,,,,,,,
100.042.329,246-579-5,25046-79-1,Glisoxepide,N-(2-{4-[(azepan-1-ylcarbamoyl)sulfamoyl]phenyl}ethyl)-5-methylisoxazole-3-carboxamide,Cc1onc(c1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NN3CCCCCC3,Cc1onc(c1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NN3CCCCCC3,"InChI=1/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)",C20H27N5O5S,,,,,,ZKUDBRCEOBOWLF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.334,246-584-2,25054-76-6,(Z)-(carboxymethyl)dimethyl-3-[(1-oxo-9-octadecenyl)amino]propylammonium hydroxide,"N-(carboxymethyl)-N,N-dimethyl-3-(oleoylamino)propan-1-aminium hydroxide",[OH-].CCCCCCCC\\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,"InChI=1/C25H48N2O3.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30;/h11-12H,4-10,13-23H2,1-3H3,(H-,26,28,29,30);1H2",C25H48N2O3,,,,,,HDNSVTYGDBJKCX-AFEZEDKISA-N,,,,,,,,,,,
100.042.336,246-586-3,25059-14-7,Sodium 2-hydroxynaphthalene-1-sulphonate,sodium 2-hydroxynaphthalene-1-sulfonate,[Na+].Oc1ccc2ccccc2c1S(=O)(=O)[O-],[Na+].Oc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,LIAJJWHZAFEJEZ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.338,246-588-4,25059-18-1,"Disodium 4-hydroxynaphthalene-1,5-disulphonate","disodium 4-hydroxynaphthalene-1,5-disulfonate",[Na+].[Na+].Oc1ccc(c2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1ccc(c2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2Na/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2Na,,,,,,ZRBVDPOHVRVYAN-UHFFFAOYSA-L,,,,,,,,,,,
100.042.339,246-590-5,25059-78-3,"3,6-dichloro-o-anisic acid, compound with 2,2'-iminodiethanol (1:1)","3,6-dichloro-2-methoxybenzoic acid - 2,2'-iminodiethanol (1:1)",COc1c(Cl)ccc(Cl)c1C(=O)O.OCCNCCO,COc1c(Cl)ccc(Cl)c1C(=O)O.OCCNCCO,"InChI=1/C8H6Cl2O3.C4H11NO2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;6-3-1-5-2-4-7/h2-3H,1H3,(H,11,12);5-7H,1-4H2",C8H6Cl2O3.C4H11NO2,,,,,,RAKSGYQDDJHPCC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.350,246-601-3,25073-23-8,(Z)-3-oxiranylacrylaldehyde,3-oxiran-2-ylacrylaldehyde,O=C\\C=C/C1CO1,O=C\C=C/C1CO1,"InChI=1/C5H6O2/c6-3-1-2-5-4-7-5/h1-3,5H,4H2",C5H6O2,,,,,,MCZFDRQUPJCHON-UPHRSURJSA-N,,,,,,,,,,,
100.042.355,246-607-6,25084-14-4,5-nitrofuroyl chloride,5-nitro-2-furoyl chloride,ClC(=O)c1oc(cc1)N(=O)=O,ClC(=O)c1oc(cc1)N(=O)=O,InChI=1/C5H2ClNO4/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H,C5H2ClNO4,,,,,,OLEFNFXYGGTROA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.357,246-609-7,25088-69-1,"Dipotassium 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenolate","dipotassium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenolate",[K+].[K+].[O-]c1ccc(cc1)C(c2ccc([O-])cc2)(C(F)(F)F)C(F)(F)F,[K+].[K+].[O-]c1ccc(cc1)C(c2ccc([O-])cc2)(C(F)(F)F)C(F)(F)F,"InChI=1/C15H10F6O2.2K/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;;/h1-8,22-23H;;/q;2*+1/p-2",C15H10F6O2.2K,,,,,,VMHMZFAVEXGDPW-UHFFFAOYSA-L,,,,,,,,,,,
100.042.359,246-611-8,25092-41-5,Norgestomet,17-acetyl-11-methyl-3-oxoestr-4-en-17-yl acetate,C[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(=O)C)C(=O)C)[C@@H]3CCC4=CC(=O)CCC4[C@@H]13,C[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(=O)C)C(=O)C)[C@@H]3CCC4=CC(=O)CCC4[C@@H]13,"InChI=1/C23H32O4/c1-13-12-22(4)20(9-10-23(22,14(2)24)27-15(3)25)19-7-5-16-11-17(26)6-8-18(16)21(13)19/h11,13,18-21H,5-10,12H2,1-4H3",C23H32O4,,,,,,IWSXBCZCPVUWHT-GDIMJEPUSA-N,,,,,,,,,,,
100.042.364,246-617-0,25103-52-0,Isooctanoic acid,6-methylheptanoic acid,CC(C)CCCCC(=O)O,CC(C)CCCCC(=O)O,"InChI=1/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",C8H16O2,,,,,,OEOIWYCWCDBOPA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.523,250-091-8,30203-11-3,"3,3'-[sulphonylbis(4,1-phenyleneoxy)]dianiline","3,3'-[sulfonylbis(4,1-phenyleneoxy)]dianiline",Nc1cccc(Oc2ccc(cc2)S(=O)(=O)c3ccc(Oc4cccc(N)c4)cc3)c1,Nc1cccc(Oc2ccc(cc2)S(=O)(=O)c3ccc(Oc4cccc(N)c4)cc3)c1,"InChI=1/C24H20N2O4S/c25-17-3-1-5-21(15-17)29-19-7-11-23(12-8-19)31(27,28)24-13-9-20(10-14-24)30-22-6-2-4-18(26)16-22/h1-16H,25-26H2",C24H20N2O4S,,,,,,WCXGOVYROJJXHA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.524,250-092-3,30207-98-8,Undecanol,undecan-1-ol,CCCCCCCCCCCO,CCCCCCCCCCCO,"InChI=1/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3",C11H24O,,,,,,KJIOQYGWTQBHNH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.527,250-096-5,30232-11-2,Methylcyclohexyl acetate,1-methylcyclohexyl acetate,CC(=O)OC1(C)CCCCC1,CC(=O)OC1(C)CCCCC1,"InChI=1/C9H16O2/c1-8(10)11-9(2)6-4-3-5-7-9/h3-7H2,1-2H3",C9H16O2,,,,,,VVDZWMOQABVVHC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.528,250-097-0,30233-64-8,"Docosanoic acid, monoester with glycerol",2-hydroxy-1-(hydroxymethyl)ethyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,"InChI=1/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h24,26-27H,2-23H2,1H3",C25H50O4,,,,,,DNULQWTYMFQUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.926,248-334-8,27215-10-7,Diisooctyl hydrogen phosphate,bis(6-methylheptyl) hydrogen phosphate,CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C,CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C,"InChI=1/C16H35O4P/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,17,18)",C16H35O4P,,,,,,SNAMIIGIIUQQSP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.929,248-337-4,27215-38-9,"Lauric acid, monoester with glycerol","2,3-dihydroxypropyl laurate",CCCCCCCCCCCC(=O)OCC(O)CO,CCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3",C15H30O4,,,,,,ARIWANIATODDMH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.930,248-339-5,27215-95-8,Nonene,non-1-ene,C=CCCCCCCC,C=CCCCCCCC,"InChI=1/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3",C9H18,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1395,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.930,JRZJOMJEPLMPRA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.937,248-346-3,27223-35-4,Ketazolam,"11-chloro-2,8-dimethyl-12b-phenyl-8,12b-dihydro-4H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione",CN1C(=O)CN2C(=O)C=C(C)OC2(c3ccccc3)c4cc(Cl)ccc14,CN1C(=O)CN2C(=O)C=C(C)OC2(c3ccccc3)c4cc(Cl)ccc14,"InChI=1/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3",C20H17ClN2O3,,,,,,PWAJCNITSBZRBL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.938,248-347-9,27227-73-2,4-(5-norbornen-2-yl)-3-buten-2-one,4-bicyclo[2.2.1]hept-5-en-2-ylbut-3-en-2-one,CC(=O)C=CC2CC1/C=C\\C2C1,CC(=O)C=CC2CC1/C=C\C2C1,"InChI=1/C11H14O/c1-8(12)2-4-10-6-9-3-5-11(10)7-9/h2-5,9-11H,6-7H2,1H3",C11H14O,,,,,,PJNSTJMFXBGTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.940,248-350-5,27231-36-3,"1,3-dihydro-5-methyl-2H-benzimidazole-2-thione","5-methyl-1,3-dihydro-2H-benzimidazole-2-thione",Cc1ccc2NC(=S)Nc2c1,Cc1ccc2NC(=S)Nc2c1,"InChI=1/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)",C8H8N2S,,,,,,CWIYBOJLSWJGKV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.946,248-356-8,27236-80-2,Undecenoyl chloride,undec-10-enoyl chloride,ClC(=O)CCCCCCCCC=C,ClC(=O)CCCCCCCCC=C,"InChI=1/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2",C11H19ClO,,,,,,MZFGYVZYLMNXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.107,249-633-6,29449-91-0,"2,6-bis[2-(dimethylamino)ethoxy]pyridine","2,2'-[pyridine-2,6-diylbis(oxy)]bis(N,N-dimethylethanamine)",CN(C)CCOc1cccc(OCCN(C)C)n1,CN(C)CCOc1cccc(OCCN(C)C)n1,"InChI=1/C13H23N3O2/c1-15(2)8-10-17-12-6-5-7-13(14-12)18-11-9-16(3)4/h5-7H,8-11H2,1-4H3",C13H23N3O2,,,,,,RGIHODWAEHCRBV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.108,249-634-1,29450-07-5,2-(2-aminoethoxy)pyridine,2-(pyridin-2-yloxy)ethanamine,NCCOc1ccccn1,NCCOc1ccccn1,"InChI=1/C7H10N2O/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6,8H2",C7H10N2O,,,,,,TUVONOFKFDJHBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.111,249-637-8,29452-72-0,2-amino-4-benzamidobenzenesulphonic acid,2-amino-4-(benzoylamino)benzenesulfonic acid,Nc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)O,Nc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)O,"InChI=1/C13H12N2O4S/c14-11-8-10(6-7-12(11)20(17,18)19)15-13(16)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)(H,17,18,19)",C13H12N2O4S,,,,,,DUOCAITVQWIVJB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.113,249-639-9,29454-16-8,Sodium dihydrogen 2-sulphonatosuccinate,sodium dihydrogen 2-sulfonatosuccinate,[Na+].[O-]C(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[O-]C(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C4H6O7S.Na/c5-3(6)1-2(4(7)8)12(9,10)11;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);/q;+1/p-3",C4H6O7S.Na,,,,,,WQQPDTLGLVLNOH-UHFFFAOYSA-K,,,,,,,,,,,
100.045.114,249-640-4,29454-23-7,1-methyl hydrogen 2-sulphonatotetradecanoate,1-methoxy-1-oxotetradecane-2-sulfonic acid,CCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,CCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C15H30O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14(15(16)20-2)21(17,18)19/h14H,3-13H2,1-2H3,(H,17,18,19)",C15H30O5S,,,,,,ZABKDTYOFYRFCI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.117,249-644-6,29457-72-5,Lithium heptadecafluorooctanesulphonate,"lithium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate",[Li+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Li+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF17O3S.Li/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1",C8HF17O3S.Li,,,,,,XVCUGNWRDDNCRD-UHFFFAOYSA-M,,,,,,,,,,,
100.045.118,249-645-1,29458-30-8,"2-(4-aminophenyl)-2,4-dihydro-4,5-dimethyl-3H-pyrazol-3-one","2-(4-aminophenyl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one",CC1C(=NN(C1=O)c2ccc(N)cc2)C,CC1C(=NN(C1=O)c2ccc(N)cc2)C,"InChI=1/C11H13N3O/c1-7-8(2)13-14(11(7)15)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3",C11H13N3O,,,,,,UOCOWPDBMOCDPI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.631,244-710-0,22002-87-5,2-hydroxy-3-(phosphonooxy)propyl oleate,2-hydroxy-3-(phosphonooxy)propyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O,"InChI=1/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)",C21H41O7P,,,,,,WRGQSWVCFNIUNZ-KTKRTIGZSA-N,,,,,,,,,,,
100.040.633,244-712-1,22004-65-5,"2,2',6,6'-tetramethylbenzhydryl alcohol","bis(2,6-dimethylphenyl)methanol",Cc1cccc(C)c1C(O)c2c(C)cccc2C,Cc1cccc(C)c1C(O)c2c(C)cccc2C,"InChI=1/C17H20O/c1-11-7-5-8-12(2)15(11)17(18)16-13(3)9-6-10-14(16)4/h5-10,17-18H,1-4H3",C17H20O,,,,,,OKFOGGVYBGIWSE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.540,220-393-4,2751-90-8,Tetraphenylphosphonium bromide,tetraphenylphosphonium bromide,[Br-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",C24H20P.Br,,,,,,BRKFQVAOMSWFDU-UHFFFAOYSA-M,,,,,,,,,,,
100.018.541,220-395-5,2752-17-2,"2,2'-oxydi(ethylamine)","2,2'-oxydiethanamine",NCCOCCN,NCCOCCN,InChI=1/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2,C4H12N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11818,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.541,GXVUZYLYWKWJIM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.544,220-398-1,2752-95-6,Butyl diphenyl phosphate,butyl diphenyl phosphate,CCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,CCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3",C16H19O4P,,,,,,DIBUFQMCUZYQKN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.548,220-402-1,2/11/2754,4-ethylmorpholine 4-oxide,4-ethylmorpholine 4-oxide,CC[N+]1([O-])CCOCC1,CC[N+]1([O-])CCOCC1,"InChI=1/C6H13NO2/c1-2-7(8)3-5-9-6-4-7/h2-6H2,1H3",C6H13NO2,,,,,,GVKAVGPGTZFANE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.550,220-404-2,2754-27-0,Acetoxytrimethylsilane,trimethylsilyl acetate,CC(=O)O[Si](C)(C)C,CC(=O)O[Si](C)(C)C,"InChI=1/C5H12O2Si/c1-5(6)7-8(2,3)4/h1-4H3",C5H12O2Si,,,,,,QHUNJMXHQHHWQP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.555,220-410-5,2756-56-1,"Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate",CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3",C13H22O2,,,,,,FAFMZORPAAGQFV-OUJBWJOFSA-N,,,,,,,,,,,
100.018.556,220-411-0,2756-85-6,1-aminocyclohexane-1-carboxylic acid,1-aminocyclohexanecarboxylic acid,NC1(CCCCC1)C(=O)O,NC1(CCCCC1)C(=O)O,"InChI=1/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)",C7H13NO2,,,,,,WOXWUZCRWJWTRT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.562,220-417-3,2757-85-9,"1,3-dimethylalloxan","1,3-dimethylpyrimidine-2,4,5,6(1H,3H)-tetrone",CN1C(=O)N(C)C(=O)C(=O)C1=O,CN1C(=O)N(C)C(=O)C(=O)C1=O,InChI=1/C6H6N2O4/c1-7-4(10)3(9)5(11)8(2)6(7)12/h1-2H3,C6H6N2O4,,,,,,KUCNNTLJQCDKEI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.567,220-423-6,2759-28-6,1-benzylpiperazine,1-benzylpiperazine,C(N1CCNCC1)c2ccccc2,C(N1CCNCC1)c2ccccc2,"InChI=1/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2",C11H16N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18709,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.567,IQXXEPZFOOTTBA-UHFFFAOYSA-N,Positive,AU169406;EA282001|EA282002|EA282003|EA282004|EA282005|EA282006|EA282007|EA282008|EA282009|EA282010|EA282011|EA282012|EA282013|EA282014,[M+H]+;[M+H]+,CIDRAMP 17.2-25.8;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,91.0547:177.139:85.0755;177.1388:91.0543:85.0761|177.1388:91.0538:85.0763|177.1387:91.0541:85.076|177.1389:91.0543:85.0761|91.0543:177.1387:85.076|91.0543:85.076:56.0495|91.0544:85.0761:65.0386|177.1388:91.0539:85.076|177.1387:91.0542:85.076|177.1388:91.0543:85.0761|91.0543:177.1387:85.0761|91.0543:85.0761:177.1385|91.0543:85.076:65.0386|177.1387:91.0543:85.0761,Athens_Univ;Eawag,,,,,
100.018.572,220-428-3,2761-21-9,"Diisocyanic acid, diester with 4-(p-hydroxybenzyl)-o-cresol",1-isocyanato-4-(4-isocyanatobenzyl)-2-methylbenzene,Cc1cc(Cc2ccc(cc2)N=C=O)ccc1N=C=O,Cc1cc(Cc2ccc(cc2)N=C=O)ccc1N=C=O,"InChI=1/C16H12N2O2/c1-12-8-14(4-7-16(12)18-11-20)9-13-2-5-15(6-3-13)17-10-19/h2-8H,9H2,1H3",C16H12N2O2,,,,,,LWCCXOJTEVAEKM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.574,220-430-4,2763-96-4,5-(aminomethyl)isoxazol-3-ol hydrate,5-(aminomethyl)isoxazol-3-ol hydrate,O.NCc1onc(O)c1,O.NCc1onc(O)c1,"InChI=1/C4H6N2O2.H2O/c5-2-3-1-4(7)6-8-3;/h1H,2,5H2,(H,6,7);1H2",C4H6N2O2,,,,,,QYGRQAWQDLPUDK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.955,224-149-8,4215-99-0,"6-amino-10,12-dichloronaphth[2,3-c]acridine-5,8,14(13H)-trione","6-amino-10,12-dichloronaphtho[2,3-c]acridine-5,8,14(13H)-trione",Nc1cc2C(=O)c3cc(Cl)cc(Cl)c3Nc2c4C(=O)c5ccccc5C(=O)c14,Nc1cc2C(=O)c3cc(Cl)cc(Cl)c3Nc2c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C21H10Cl2N2O3/c22-8-5-11-17(13(23)6-8)25-18-12(19(11)26)7-14(24)15-16(18)21(28)10-4-2-1-3-9(10)20(15)27/h1-7H,24H2,(H,25,26)",C21H10Cl2N2O3,,,,,,MYGRGVSSKMUCSX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.956,224-150-3,4216-00-6,4-chloro-N-(7-oxo-7H-benzo[e]perimidin-6-yl)benzamide,4-chloro-N-(7-oxo-7H-benzo[e]perimidin-6-yl)benzamide,Clc1ccc(cc1)C(=O)Nc2ccc3ncnc4c5ccccc5C(=O)c2c34,Clc1ccc(cc1)C(=O)Nc2ccc3ncnc4c5ccccc5C(=O)c2c34,"InChI=1/C22H12ClN3O2/c23-13-7-5-12(6-8-13)22(28)26-17-10-9-16-18-19(17)21(27)15-4-2-1-3-14(15)20(18)25-11-24-16/h1-11H,(H,26,28)",C22H12ClN3O2,,,,,,MBSVRFXQDJCHSS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.960,224-155-0,4218-22-8,"2,2'-methylenebis[5-methylthiophene]","2,2'-methylenebis(5-methylthiophene)",Cc1ccc(Cc2ccc(C)s2)s1,Cc1ccc(Cc2ccc(C)s2)s1,"InChI=1/C11H12S2/c1-8-3-5-10(12-8)7-11-6-4-9(2)13-11/h3-6H,7H2,1-2H3",C11H12S2,,,,,,HJTSBOCFVPUMSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.967,224-162-9,4220-30-8,"3,3'-[(2,3-dihydroxypropyl)imino]bispropiononitrile","3,3'-[(2,3-dihydroxypropyl)imino]dipropanenitrile",OCC(O)CN(CCC#N)CCC#N,OCC(O)CN(CCC#N)CCC#N,"InChI=1/C9H15N3O2/c10-3-1-5-12(6-2-4-11)7-9(14)8-13/h9,13-14H,1-2,5-8H2",C9H15N3O2,,,,,,GAPDHXRQKMUCKH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.971,224-167-6,4221-98-1,"(R)-5-isopropyl-2-methylcyclohexa-1,3-diene","5-isopropyl-2-methylcyclohexa-1,3-diene",CC(C)[C@H]1CC=C(C)C=C1,CC(C)[C@H]1CC=C(C)C=C1,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",C10H16,,,,,,OGLDWXZKYODSOB-SNVBAGLBSA-N,,,,,,,,,,,
100.045.102,249-627-3,29440-91-3,5-(2-aminobutyl)o-cresol hydrochloride,5-(2-aminobutyl)-2-methylphenol hydrochloride,Cl.CCC(N)Cc1ccc(C)c(O)c1,Cl.CCC(N)Cc1ccc(C)c(O)c1,"InChI=1/C11H17NO.ClH/c1-3-10(12)6-9-5-4-8(2)11(13)7-9;/h4-5,7,10,13H,3,6,12H2,1-2H3;1H",C11H17NO.ClH,,,,,,SOQVPIWPZBXBGG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.104,249-629-4,29444-28-8,Sodium 2-(decyloxy)-2-oxoethane-1-sulphonate,sodium 2-(decyloxy)-2-oxoethanesulfonate,[Na+].CCCCCCCCCCOC(=O)CS(=O)(=O)[O-],[Na+].CCCCCCCCCCOC(=O)CS(=O)(=O)[O-],"InChI=1/C12H24O5S.Na/c1-2-3-4-5-6-7-8-9-10-17-12(13)11-18(14,15)16;/h2-11H2,1H3,(H,14,15,16);/q;+1/p-1",C12H24O5S.Na,,,,,,NCGPNILRARPETC-UHFFFAOYSA-M,,,,,,,,,,,
100.045.119,249-646-7,29460-90-0,Isopropylpyrazine,2-isopropylpyrazine,CC(C)c1cnccn1,CC(C)c1cnccn1,"InChI=1/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3",C7H10N2,,,,,,GIMBKDZNMKTZMG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.122,249-649-3,29461-14-1,"(2a,4aa,8a)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one","1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one",CC1(C)[C@H]2CC[C@]3(C2)C1C(=O)CCC3(C)C,CC1(C)[C@H]2CC[C@]3(C2)C1C(=O)CCC3(C)C,"InChI=1/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3",C15H24O,,,,,,VCOCESNMLNDPLX-BTXGZQJSSA-N,,,,,,,,,,,
100.040.630,244-709-5,22002-86-4,2-hydroxy-3-(phosphonooxy)propyl stearate,2-hydroxy-3-(phosphonooxy)propyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O,"InChI=1/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)",C21H43O7P,,,,,,LAYXSTYJRSVXIH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.642,244-722-6,22016-03-1,3'-hydroxyacetoacetanilide,N-(3-glycoloylphenyl)acetamide,CC(=O)Nc1cccc(c1)C(=O)CO,CC(=O)Nc1cccc(c1)C(=O)CO,"InChI=1/C10H11NO3/c1-7(13)11-9-4-2-3-8(5-9)10(14)6-12/h2-5,12H,6H2,1H3,(H,11,13)",C10H11NO3,,,,,,GVDOHQZTCHPTMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.643,244-723-1,22019-64-3,N-benzyl-4'-nitrotoluene-p-sulphonanilide,N-benzyl-4-methyl-N-(4-nitrophenyl)benzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)c3ccc(cc3)N(=O)=O,Cc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)c3ccc(cc3)N(=O)=O,"InChI=1/C20H18N2O4S/c1-16-7-13-20(14-8-16)27(25,26)21(15-17-5-3-2-4-6-17)18-9-11-19(12-10-18)22(23)24/h2-14H,15H2,1H3",C20H18N2O4S,,,,,,VWPDFYRRQUHOKR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.645,244-725-2,22021-66-5,"Dimethylcarbamic acid, ester with 5-hydroxy-N,N,3-trimethylpyrazole-1-carboxamide",1-(dimethylcarbamoyl)-3-methyl-1H-pyrazol-5-yl dimethylcarbamate,CN(C)C(=O)Oc1cc(C)nn1C(=O)N(C)C,CN(C)C(=O)Oc1cc(C)nn1C(=O)N(C)C,"InChI=1/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)14(11-7)9(15)12(2)3/h6H,1-5H3",C10H16N4O3,,,,,,LWVDEWOJWRWINH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.597,246-872-8,25339-93-9,Dianhydro-D-mannitol monooleate,1-O-oleoyl-D-glucopyranose,CCCCCCCC\\C=C/CCCCCCCC(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCCCCCC\C=C/CCCCCCCC(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)31-24-23(29)22(28)21(27)19(18-25)30-24/h9-10,19,21-25,27-29H,2-8,11-18H2,1H3",C24H42O5,,,,,,LUXUAZKGQZPOBZ-DJWGODSSSA-N,,,,,,,,,,,
100.042.599,246-874-9,25340-17-4,Diethylbenzene,"1,2-diethylbenzene",CCc1ccccc1CC,CCc1ccccc1CC,"InChI=1/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3",C10H14,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2100,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.599,KVNYFPKFSJIPBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.605,246-881-7,25354-60-3,"2,2-bis(hydroxymethyl)propane-1,3-diyl dilaurate","2,2-bis(hydroxymethyl)propane-1,3-diyl didodecanoate",CCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCC,"InChI=1/C29H56O6/c1-3-5-7-9-11-13-15-17-19-21-27(32)34-25-29(23-30,24-31)26-35-28(33)22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-26H2,1-2H3",C29H56O6,,,,,,DAIYEXZQVXSNAT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.606,246-882-2,25354-61-4,"2,2-bis(hydroxymethyl)propane-1,3-diyl dipalmitate","2,2-bis(hydroxymethyl)propane-1,3-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C37H72O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)42-33-37(31-38,32-39)34-43-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-34H2,1-2H3",C37H72O6,,,,,,QSLBMRULKKYEHX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.611,246-888-5,25355-30-0,Ethylsuccinaldehyde,2-ethylsuccinaldehyde,CCC(CC=O)C=O,CCC(CC=O)C=O,"InChI=1/C6H10O2/c1-2-6(5-8)3-4-7/h4-6H,2-3H2,1H3",C6H10O2,,,,,,FYQMMABWOLQJEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.531,250-100-5,30249-25-3,N-(3-methylbutyl)cyclohexylamine,N-(3-methylbutyl)cyclohexanamine,CC(C)CCNC1CCCCC1,CC(C)CCNC1CCCCC1,"InChI=1/C11H23N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3",C11H23N,,,,,,GZYFSWISUVSJGW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.532,250-101-0,30252-40-5,Potassium 7-hydroxynaphthalenesulphonate,potassium 7-hydroxynaphthalene-1-sulfonate,[K+].Oc1ccc2cccc(c2c1)S(=O)(=O)[O-],[K+].Oc1ccc2cccc(c2c1)S(=O)(=O)[O-],"InChI=1/C10H8O4S.K/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.K,,,,,,UZBFJXMJCARTGH-UHFFFAOYSA-M,,,,,,,,,,,
100.045.533,250-102-6,30255-64-2,8-(phenylamino)-5-[[4-[(5-sulpho-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonic acid,8-anilino-5-({4-[(5-sulfo-1-naphthyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonic acid,OS(=O)(=O)c7cccc6c7cccc6N=Nc5ccc(N=Nc3ccc(Nc1ccccc1)c2c(cccc23)S(O)(=O)=O)c4ccccc45,OS(=O)(=O)c7cccc6c7cccc6N=Nc5ccc(N=Nc3ccc(Nc1ccccc1)c2c(cccc23)S(O)(=O)=O)c4ccccc45,"InChI=1/C36H25N5O6S2/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47/h1-22,37H,(H,42,43,44)(H,45,46,47)",C36H25N5O6S2,,,,,,JWRKFFQQNVQJLW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.537,250-106-8,30264-54-1,"2-methyl-2-butene-1,4-diyl diacetate","2-methylbut-2-ene-1,4-diyl diacetate",CC(=O)OCC=C(C)COC(C)=O,CC(=O)OCC=C(C)COC(C)=O,"InChI=1/C9H14O4/c1-7(6-13-9(3)11)4-5-12-8(2)10/h4H,5-6H2,1-3H3",C9H14O4,,,,,,LJPNEMAMFITRSO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.555,250-126-7,30315-47-0,"(S)-3-(1,1-dimethylethyl)oxazolidine-5-methanol","(3-tert-butyl-1,3-oxazolidin-5-yl)methanol",CC(C)(C)N1CO[C@H](CO)C1,CC(C)(C)N1CO[C@H](CO)C1,"InChI=1/C8H17NO2/c1-8(2,3)9-4-7(5-10)11-6-9/h7,10H,4-6H2,1-3H3",C8H17NO2,,,,,,UOAOHHKCFZRLLL-ZETCQYMHSA-N,,,,,,,,,,,
100.045.563,250-135-6,30342-62-2,"3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propionic acid","3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoic acid",CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)O,CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)O,"InChI=1/C25H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29/h2-23H2,1H3,(H,28,29)",C25H48N2O3,,,,,,AYCJBRAHGLZCEK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.649,246-930-2,25384-14-9,1-(2-aminophenyl)ethan-1-one hydrochloride,1-(2-aminophenyl)ethanone hydrochloride,Cl.CC(=O)c1ccccc1N,Cl.CC(=O)c1ccccc1N,"InChI=1/C8H9NO.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-5H,9H2,1H3;1H",C8H9NO.ClH,,,,,,APTPPYQXBFFQHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.656,246-938-6,25395-08-8,Aluminium tris(4-hydroxybenzenesulphonate),aluminum tris(4-hydroxybenzenesulfonate),[Al+3].Oc1ccc(cc1)S(=O)(=O)[O-].Oc2ccc(cc2)S(=O)(=O)[O-].Oc3ccc(cc3)S(=O)(=O)[O-],[Al+3].Oc1ccc(cc1)S(=O)(=O)[O-].Oc2ccc(cc2)S(=O)(=O)[O-].Oc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/3C6H6O4S.Al/c3*7-5-1-3-6(4-2-5)11(8,9)10;/h3*1-4,7H,(H,8,9,10);/q;;;+3/p-3",C6H6O4S.1/3Al,,,,,,JIXXOUFTHWJZGV-UHFFFAOYSA-K,,,,,,,,,,,
100.042.659,246-941-2,25395-31-7,"Glycerol 1,3-di(acetate)","3-hydroxypropane-1,2-diyl diacetate",CC(=O)OCC(CO)OC(=O)C,CC(=O)OCC(CO)OC(=O)C,"InChI=1/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3",C7H12O5,,,,,,UXDDRFCJKNROTO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.670,246-953-8,25414-22-6,2-methoxyfuran,2-methoxyfuran,COc1occc1,COc1occc1,"InChI=1/C5H6O2/c1-6-5-3-2-4-7-5/h2-4H,1H3",C5H6O2,,,,,,OXCGHDNCMSOEBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.679,246-963-2,25418-94-4,Cerium(3+) sebacate,cerium(3+) sebacate,[Ce+3].[Ce+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],[Ce+3].[Ce+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/3C10H18O4.2Ce/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6",C10H18O4.2/3Ce,,,,,,PNWSALVDDYXMET-UHFFFAOYSA-H,,,,,,,,,,,
100.042.680,246-964-8,25418-95-5,Praseodymium(3+) sebacate,praseodymium(3+) sebacate,[Pr+3].[Pr+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],[Pr+3].[Pr+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/3C10H18O4.2Pr/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6",C10H18O4.2/3Pr,,,,,,VXTVYSHDUYMRNF-UHFFFAOYSA-H,,,,,,,,,,,
100.042.681,246-965-3,25418-96-6,Neodymium(3+) sebacate,neodymium(3+) sebacate,[Nd+3].[Nd+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],[Nd+3].[Nd+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/3C10H18O4.2Nd/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6",C10H18O4.2/3Nd,,,,,,VIOHXNMAUNTTHN-UHFFFAOYSA-H,,,,,,,,,,,
100.042.682,246-966-9,25419-06-1,N-methylpentylamine,N-methylpentan-1-amine,CCCCCNC,CCCCCNC,"InChI=1/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3",C6H15N,,,,,,UOIWOHLIGKIYFE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.685,246-970-0,25424-26-4,"1,1'-(1,3-phenylene)bis[2-phenylethanedione]","1-{3-[oxo(phenyl)acetyl]phenyl}-2-phenylethane-1,2-dione (non-preferred name)",O=C(C(=O)c1cccc(c1)C(=O)C(=O)c2ccccc2)c3ccccc3,O=C(C(=O)c1cccc(c1)C(=O)C(=O)c2ccccc2)c3ccccc3,InChI=1/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H,C22H14O4,,,,,,JXFFIJCCFUQFQC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.635,244-714-2,22006-96-8,"2,2-dimethylhexane-1,3-diol","2,2-dimethylhexane-1,3-diol",CCCC(O)C(C)(C)CO,CCCC(O)C(C)(C)CO,"InChI=1/C8H18O2/c1-4-5-7(10)8(2,3)6-9/h7,9-10H,4-6H2,1-3H3",C8H18O2,,,,,,BGQUJDPWPVVEGV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.636,244-715-8,22007-56-3,"1,2-octanediyl diacetate","octane-1,2-diyl diacetate",CCCCCCC(COC(=O)C)OC(=O)C,CCCCCCC(COC(=O)C)OC(=O)C,"InChI=1/C12H22O4/c1-4-5-6-7-8-12(16-11(3)14)9-15-10(2)13/h12H,4-9H2,1-3H3",C12H22O4,,,,,,RANGUUYBFDYGLF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.641,244-721-0,22015-35-6,Europium diiodide,europium(2+) diiodide,[I-].[I-].[Eu+2],[I-].[I-].[Eu+2],InChI=1/Eu.2HI/h;2*1H/q+2;;/p-2,EuI2,,,,,,DPYXWFUVSMSNNV-UHFFFAOYSA-L,,,,,,,,,,,
100.040.644,244-724-7,22020-14-0,N-methyl-N-octyldecylamine,N-methyl-N-octyldecan-1-amine,CCCCCCCCCCN(C)CCCCCCCC,CCCCCCCCCCN(C)CCCCCCCC,"InChI=1/C19H41N/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4-19H2,1-3H3",C19H41N,,,,,,CQFRPHDWUIZNOK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.647,244-727-3,22025-44-1,N4-(p-ethoxyphenyl)-3-nitrosulphanilamide,4-[(4-ethoxyphenyl)amino]-3-nitrobenzenesulfonamide,CCOc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N)cc1,CCOc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N)cc1,"InChI=1/C14H15N3O5S/c1-2-22-11-5-3-10(4-6-11)16-13-8-7-12(23(15,20)21)9-14(13)17(18)19/h3-9,16H,2H2,1H3,(H2,15,20,21)",C14H15N3O5S,,,,,,VNBLMPPORJRWNG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.600,246-875-4,25340-18-5,Triethylbenzene,"1,2,3-triethylbenzene",CCc1c(cccc1CC)CC,CCc1c(cccc1CC)CC,"InChI=1/C12H18/c1-4-10-8-7-9-11(5-2)12(10)6-3/h7-9H,4-6H2,1-3H3",C12H18,,,,,,VIDOPANCAUPXNH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.613,246-890-6,25357-79-3,Disodium tetrabromophthalate,"disodium 3,4,5,6-tetrabromophthalate",[Na+].[Na+].[O-]C(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-],[Na+].[Na+].[O-]C(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-],"InChI=1/C8H2Br4O4.2Na/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;/h(H,13,14)(H,15,16);;/q;2*+1/p-2",C8H2Br4O4.2Na,,,,,,UTNQAECQSKUEGD-UHFFFAOYSA-L,,,,,,,,,,,
100.042.615,246-892-7,25358-55-8,Dinonylnaphthalene,"1,2-dinonylnaphthalene",CCCCCCCCCc1ccc2ccccc2c1CCCCCCCCC,CCCCCCCCCc1ccc2ccccc2c1CCCCCCCCC,"InChI=1/C28H44/c1-3-5-7-9-11-13-15-19-25-23-24-26-20-17-18-22-28(26)27(25)21-16-14-12-10-8-6-4-2/h17-18,20,22-24H,3-16,19,21H2,1-2H3",C28H44,,,,,,RAADJDWNEAXLBL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.621,246-899-5,25364-76-5,Diethyl cinnamylidenemalonate,diethyl (3-phenylprop-2-en-1-ylidene)malonate,CCOC(=O)/C(=C\\C=Cc1ccccc1)C(=O)OCC,CCOC(=O)/C(=C\C=Cc1ccccc1)C(=O)OCC,"InChI=1/C16H18O4/c1-3-19-15(17)14(16(18)20-4-2)12-8-11-13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3",C16H18O4,,,,,,DRRHNLFDEWIFTL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.622,246-900-9,25364-86-7,(2-chloro-3-hydroxypropyl)trimethylammonium chloride,"2-chloro-3-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)CC(Cl)CO,[Cl-].C[N+](C)(C)CC(Cl)CO,"InChI=1/C6H15ClNO.ClH/c1-8(2,3)4-6(7)5-9;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1",C6H15ClNO.Cl,,,,,,YMRCIAWXHCYGTR-UHFFFAOYSA-M,,,,,,,,,,,
100.042.623,246-901-4,25366-23-8,Thiazfluron,"1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea",CNC(=O)N(C)c1nnc(s1)C(F)(F)F,CNC(=O)N(C)c1nnc(s1)C(F)(F)F,"InChI=1/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)",C6H7F3N4OS,,,,,,BBJPZPLAZVZTGR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.253,248-695-1,27850-15-3,Chromium(3+) acrylate,chromium(3+) triacrylate,[Cr+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Cr+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/3C3H4O2.Cr/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3",C3H4O2.1/3Cr,,,,,,UUGMOKORBVIWMB-UHFFFAOYSA-K,,,,,,,,,,,
100.044.258,248-700-7,27867-19-2,"2,5,8,11,14,17,20,23,26,29-decaoxatriacontane","2,5,8,11,14,17,20,23,26,29-decaoxatriacontane",COCCOCCOCCOCCOCCOCCOCCOCCOCCOC,COCCOCCOCCOCCOCCOCCOCCOCCOCCOC,"InChI=1/C20H42O10/c1-21-3-5-23-7-9-25-11-13-27-15-17-29-19-20-30-18-16-28-14-12-26-10-8-24-6-4-22-2/h3-20H2,1-2H3",C20H42O10,,,,,,FDXQLPHYJKXLSO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.259,248-701-2,27867-36-3,"5,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octane","5,8,8-trimethyl-3-oxatricyclo[5.1.0.0~2,4~]octane",CC1CC2C(C3OC13)C2(C)C,CC1CC2C(C3OC13)C2(C)C,"InChI=1/C10H16O/c1-5-4-6-7(10(6,2)3)9-8(5)11-9/h5-9H,4H2,1-3H3",C10H16O,,,,,,KNHFDBGGSOSGEO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.260,248-702-8,27870-92-4,"2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione","2-octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione",CCCCCCCCCCCCCCCCCCN1C(=O)c2ccc3Sc4ccccc4c5ccc(C1=O)c2c35,CCCCCCCCCCCCCCCCCCN1C(=O)c2ccc3Sc4ccccc4c5ccc(C1=O)c2c35,"InChI=1/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3",C36H45NO2S,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16499,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.260,YDQLECBCTASDOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.978,224-174-4,4223-17-0,[(p-octylphenoxy)methyl]oxirane,2-[(4-octylphenoxy)methyl]oxirane,CCCCCCCCc1ccc(OCC2CO2)cc1,CCCCCCCCc1ccc(OCC2CO2)cc1,"InChI=1/C17H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-17-14-19-17/h9-12,17H,2-8,13-14H2,1H3",C17H26O2,,,,,,DEVITEWVQCISFK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.983,224-180-7,4229-35-0,"Sodium 1,4-didodecyl sulphonatosuccinate","sodium 1,4-bis(dodecyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C28H54O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-34-27(29)25-26(36(31,32)33)28(30)35-24-22-20-18-16-14-12-10-8-6-4-2;/h26H,3-25H2,1-2H3,(H,31,32,33);/q;+1/p-1",C28H54O7S.Na,,,,,,YELYCAMTAMJIKA-UHFFFAOYSA-M,,,,,,,,,,,
100.021.987,224-184-9,4230-97-1,Allyl octanoate,allyl octanoate,CCCCCCCC(=O)OCC=C,CCCCCCCC(=O)OCC=C,"InChI=1/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3",C11H20O2,,,,,,PZGMUSDNQDCNAG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.988,224-185-4,4231-35-0,"N,N-diethyl-1-propynylamine","N,N-diethylprop-1-yn-1-amine",CCN(CC)C#CC,CCN(CC)C#CC,"InChI=1/C7H13N/c1-4-7-8(5-2)6-3/h5-6H2,1-3H3",C7H13N,,,,,,RJSCZBRDRBIRHP-UHFFFAOYSA-N,,,,,,,,,,,
100.021.991,224-189-6,4232-27-3,"2,4-dinitrophenyl acetate","2,4-dinitrophenyl acetate",CC(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CC(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H6N2O6/c1-5(11)16-8-3-2-6(9(12)13)4-7(8)10(14)15/h2-4H,1H3",C8H6N2O6,,,,,,CDMLJWCAUSWULM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.999,224-198-5,4237-44-9,o-(1-phenylethyl)phenol,2-(1-phenylethyl)phenol,CC(c1ccccc1)c2ccccc2O,CC(c1ccccc1)c2ccccc2O,"InChI=1/C14H14O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-11,15H,1H3",C14H14O,,,,,,WYZIVNCBUWDCOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.799,223-978-2,4151-33-1,Potassium pyruvate,potassium 2-oxopropanoate,[K+].CC(=O)C(=O)[O-],[K+].CC(=O)C(=O)[O-],"InChI=1/C3H4O3.K/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1",C3H4O3.K,,,,,,JKVUQLWTIZFTMF-UHFFFAOYSA-M,,,,,,,,,,,
100.021.802,223-981-9,4151-51-3,Tris(p-isocyanatophenyl) thiophosphate,"O,O,S-tris(4-isocyanatophenyl) thiophosphate",O=C=Nc1ccc(OP(=O)(Oc2ccc(cc2)N=C=O)Sc3ccc(cc3)N=C=O)cc1,O=C=Nc1ccc(OP(=O)(Oc2ccc(cc2)N=C=O)Sc3ccc(cc3)N=C=O)cc1,"InChI=1/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)29-31(28,30-20-9-3-17(4-10-20)23-14-26)32-21-11-5-18(6-12-21)24-15-27/h1-12H",C21H12N3O6PS,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11957,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.802,SCIJWKMIUMLWOR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.803,223-982-4,4151-97-7,1-chloro-3-methoxypropan-2-ol,1-chloro-3-methoxypropan-2-ol,COCC(O)CCl,COCC(O)CCl,"InChI=1/C4H9ClO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3",C4H9ClO2,,,,,,FOLYKNXDLNPWGC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.808,223-988-7,4156-16-5,2-ethyl-5-phenylisoxazolium-3'-sulphonate,2-ethyl-5-(3-sulfophenyl)isoxazol-2-ium,CC[n+]1oc(cc1)c2cccc(c2)S(=O)(=O)O,CC[n+]1oc(cc1)c2cccc(c2)S(=O)(=O)O,"InChI=1/C11H11NO4S/c1-2-12-7-6-11(16-12)9-4-3-5-10(8-9)17(13,14)15/h3-8H,2H2,1H3/p+1",C11H11NO4S,,,,,,MWOOKDULMBMMPN-UHFFFAOYSA-O,,,,,,,,,,,
100.021.810,223-990-8,4157-74-8,p-[butyl(2-chloroethyl)amino]benzaldehyde,4-[butyl(2-chloroethyl)amino]benzaldehyde,CCCCN(CCCl)c1ccc(C=O)cc1,CCCCN(CCCl)c1ccc(C=O)cc1,"InChI=1/C13H18ClNO/c1-2-3-9-15(10-8-14)13-6-4-12(11-16)5-7-13/h4-7,11H,2-3,8-10H2,1H3",C13H18ClNO,,,,,,LYOQXOPZIYLCTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.811,223-991-3,4158-37-6,2-chlorobutyronitrile,2-chlorobutanenitrile,CCC(Cl)C#N,CCC(Cl)C#N,"InChI=1/C4H6ClN/c1-2-4(5)3-6/h4H,2H2,1H3",C4H6ClN,,,,,,WTDNWEITCUMXGW-UHFFFAOYSA-N,,,,,,,,,,,
100.021.812,223-992-9,9/11/4159,"Piperazine-1,4-dipropiononitrile","3,3'-piperazine-1,4-diyldipropanenitrile",N#CCCN1CCN(CCC#N)CC1,N#CCCN1CCN(CCC#N)CC1,"InChI=1/C10H16N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-2,5-10H2",C10H16N4,,,,,,QXQYJEMSNUMUPO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.815,223-996-0,4160-52-5,4'-methylbutyrophenone,1-(4-methylphenyl)butan-1-one,CCCC(=O)c1ccc(C)cc1,CCCC(=O)c1ccc(C)cc1,"InChI=1/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3",C11H14O,,,,,,CIYAESDXUTVTAL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.816,223-997-6,4160-63-8,p-anisyl thiophen-2-yl ketone,(4-methoxyphenyl)(2-thienyl)methanone,COc1ccc(cc1)C(=O)c2cccs2,COc1ccc(cc1)C(=O)c2cccs2,"InChI=1/C12H10O2S/c1-14-10-6-4-9(5-7-10)12(13)11-3-2-8-15-11/h2-8H,1H3",C12H10O2S,,,,,,KYVBFEMQEUXVQB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.820,224-001-2,4160-94-5,3-phenyl-3-propylglutaric acid,3-phenyl-3-propylpentanedioic acid,CCCC(CC(=O)O)(CC(=O)O)c1ccccc1,CCCC(CC(=O)O)(CC(=O)O)c1ccccc1,"InChI=1/C14H18O4/c1-2-8-14(9-12(15)16,10-13(17)18)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16)(H,17,18)",C14H18O4,,,,,,VVYCAUXALDXXBS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.825,224-007-5,4163-15-9,17-(cyclopropylmethyl)morphinan-3-ol,17-(cyclopropylmethyl)morphinan-3-ol,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC5CC5)c2c1,Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC5CC5)c2c1,"InChI=1/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2",C20H27NO,,,,,,NLBUEDSBXVNAPB-DFQSSKMNSA-N,,,,,,,,,,,
100.021.838,224-021-1,4166-67-0,4-(ethylamino)-4-oxoisocrotonic acid,4-(ethylamino)-4-oxobut-2-enoic acid,CCNC(=O)\\C=C/C(=O)O,CCNC(=O)\C=C/C(=O)O,"InChI=1/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)",C6H9NO3,,,,,,HBQGCOWNLUOCBU-ARJAWSKDSA-N,,,,,,,,,,,
100.042.616,246-893-2,25359-71-1,"2-[[3-(3-mercapto-1-oxopropoxy)-2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propoxy]methyl]-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]","3-[(3-sulfanylpropanoyl)oxy]-2-[(3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propoxy)methyl]-2-{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate (non-preferred name)",SCCC(=O)OCC(COCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,SCCC(=O)OCC(COCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,"InChI=1/C28H46O13S6/c29-21(1-7-42)36-15-27(16-37-22(30)2-8-43,17-38-23(31)3-9-44)13-35-14-28(18-39-24(32)4-10-45,19-40-25(33)5-11-46)20-41-26(34)6-12-47/h42-47H,1-20H2",C28H46O13S6,,,,,,YAAUVJUJVBJRSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.618,246-895-3,25360-09-2,tert-hexadecanethiol,"13,13-dimethyltetradecane-1-thiol",CC(C)(C)CCCCCCCCCCCCS,CC(C)(C)CCCCCCCCCCCCS,"InChI=1/C16H34S/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15-17/h17H,4-15H2,1-3H3",C16H34S,,,,,,KZIYAWAYDPPPIU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.619,246-896-9,25360-10-5,"1,1-dimethylheptanethiol",2-methyloctane-2-thiol,CCCCCCC(C)(C)S,CCCCCCC(C)(C)S,"InChI=1/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3",C9H20S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12041,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.619,MPBLPZLNKKGCGP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.252,248-694-6,27848-84-6,Nicergoline,"(10-methoxy-1,6-dimethylergolin-8-yl)methyl 5-bromonicotinate",Brc1cc(cnc1)C(=O)OC[C@@H]3C[C@]4(OC)c5cccc2c5c(cn2C)C[C@H]4N(C)C3,Brc1cc(cnc1)C(=O)OC[C@@H]3C[C@]4(OC)c5cccc2c5c(cn2C)C[C@H]4N(C)C3,"InChI=1/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3",C24H26BrN3O3,,,,,,YSEXMKHXIOCEJA-FVFQAYNVSA-N,,,,,,,,,,,
100.044.265,248-708-0,27876-94-4,"8,8'-diapo-<U+03C8>,<U+03C8>-carotenedioic acid","2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid",OC(=O)C(\\C)=C\\C=CC(/C)=C/C=C/C=C(\\C)/C=C/C=C(\\C)C(O)=O,OC(=O)C(\C)=C\C=CC(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O,"InChI=1/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)",C20H24O4,,,,,,PANKHBYNKQNAHN-LFEGTZIYSA-N,,,,,,,,,,,
100.040.318,244-366-1,21397-08-0,2-chloro-3-fluoroaniline,2-chloro-3-fluoroaniline,Nc1cccc(F)c1Cl,Nc1cccc(F)c1Cl,"InChI=1/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2",C6H5ClFN,,,,,,FJKIADFDXOCBRV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.319,244-367-7,21397-11-5,2-fluoro-3-nitroaniline,2-fluoro-3-nitroaniline,Nc1cccc(c1F)[N+](=O)[O-],Nc1cccc(c1F)[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H,8H2",C6H5FN2O2,,,,,,NGFSHIJLJGVNTO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.322,244-370-3,21402-26-6,4-bromo-3-chloroaniline,4-bromo-3-chloroaniline,Nc1ccc(Br)c(Cl)c1,Nc1ccc(Br)c(Cl)c1,"InChI=1/C6H5BrClN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2",C6H5BrClN,,,,,,QLYHPNUFNZJXOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.323,244-371-9,21403-95-2,"1-(3,4-dihydro-2-naphthyl)pyrrolidine","1-(3,4-dihydronaphthalen-2-yl)pyrrolidine",C1CCN(C1)C2=Cc3ccccc3CC2,C1CCN(C1)C2=Cc3ccccc3CC2,"InChI=1/C14H17N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-6,11H,3-4,7-10H2",C14H17N,,,,,,YWYAUYAEQBYZFN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.330,244-379-2,21416-67-1,"4,4'-propylenebis(piperazine-2,6-dione)","4,4'-propane-1,2-diyldipiperazine-2,6-dione",CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,"InChI=1/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)",C11H16N4O4,,,,,,BMKDZUISNHGIBY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.334,244-383-4,21429-43-6,"2,2'-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]imino]diethyl diacetate","({3-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-ethoxycyclohexa-2,5-dien-1-yl}imino)diethane-2,1-diyl diacetate",O=C(C)N\\C2=C\\C(\\C=C/C2(OCC)N=Nc1c(cc(cc1Cl)[N+]([O-])=O)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,O=C(C)N\C2=C\C(\C=C/C2(OCC)N=Nc1c(cc(cc1Cl)[N+]([O-])=O)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,"InChI=1/C24H29ClN6O10/c1-5-41-24(28-27-23-20(25)12-19(30(35)36)13-21(23)31(37)38)7-6-18(14-22(24)26-15(2)32)29(8-10-39-16(3)33)9-11-40-17(4)34/h6-7,12-14,18H,5,8-11H2,1-4H3,(H,26,32)",C24H27ClN6O10,,,,,,CNIYGAXBUPBISE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.339,244-389-7,21440-97-1,Brofoxine,"6-bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one",CC1(C)OC(=O)Nc2ccc(Br)cc12,CC1(C)OC(=O)Nc2ccc(Br)cc12,"InChI=1/C10H10BrNO2/c1-10(2)7-5-6(11)3-4-8(7)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)",C10H10BrNO2,,,,,,JRXGULDSFFLUAO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.345,244-396-5,21454-20-6,"2,4,6-tris(dimethylamino)phenol","2,4,6-tris(dimethylamino)phenol",CN(C)c1cc(N(C)C)c(O)c(c1)N(C)C,CN(C)c1cc(N(C)C)c(O)c(c1)N(C)C,"InChI=1/C12H21N3O/c1-13(2)9-7-10(14(3)4)12(16)11(8-9)15(5)6/h7-8,16H,1-6H3",C12H21N3O,,,,,,KCAMLFCTSSYIFW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.346,244-397-0,21461-12-1,5-[(4-chlorophenyl)azo]salicylic acid,5-[(4-chlorophenyl)diazenyl]-2-hydroxybenzoic acid,Clc2ccc(N=Nc1cc(C(O)=O)c(O)cc1)cc2,Clc2ccc(N=Nc1cc(C(O)=O)c(O)cc1)cc2,"InChI=1/C13H9ClN2O3/c14-8-1-3-9(4-2-8)15-16-10-5-6-12(17)11(7-10)13(18)19/h1-7,17H,(H,18,19)",C13H9ClN2O3,,,,,,ZCRDPWZTENZVQN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.348,244-399-1,21465-51-0,Sodium benzothiazole-2-sulphonate,"sodium 1,3-benzothiazole-2-sulfonate",[Na+].[O-]S(=O)(=O)c1nc2ccccc2s1,[Na+].[O-]S(=O)(=O)c1nc2ccccc2s1,"InChI=1/C7H5NO3S2.Na/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7;/h1-4H,(H,9,10,11);/q;+1/p-1",C7H5NO3S2.Na,,,,,,QAUFTGCWOWNCBZ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.696,246-982-6,25442-88-0,"N-(2-hydroxy-1-methyl-2-phenylethyl)-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonamide","1-(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methylmethanesulfonamide",CC(C(O)c1ccccc1)N(C)S(=O)(=O)CC23CCC(CC2=O)C3(C)C,CC(C(O)c1ccccc1)N(C)S(=O)(=O)CC23CCC(CC2=O)C3(C)C,"InChI=1/C20H29NO4S/c1-14(18(23)15-8-6-5-7-9-15)21(4)26(24,25)13-20-11-10-16(12-17(20)22)19(20,2)3/h5-9,14,16,18,23H,10-13H2,1-4H3",C20H29NO4S,,,,,,DMEGGTHGTDTORS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.495,250-060-9,30124-48-2,"N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis(2,5-dichlorobenzamide)","N,N'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(2,5-dichlorobenzamide)",Oc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c3C(=O)c4c(O)ccc(NC(=O)c5cc(Cl)ccc5Cl)c4C(=O)c13,Oc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c3C(=O)c4c(O)ccc(NC(=O)c5cc(Cl)ccc5Cl)c4C(=O)c13,"InChI=1/C28H14Cl4N2O6/c29-11-1-3-15(31)13(9-11)27(39)33-17-5-7-19(35)23-21(17)25(37)24-20(36)8-6-18(22(24)26(23)38)34-28(40)14-10-12(30)2-4-16(14)32/h1-10,35-36H,(H,33,39)(H,34,40)",C28H14Cl4N2O6,,,,,,XNKIMCFCHIJKFB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.499,250-065-6,30132-23-1,Ethyl 3-bromo-2-oxocyclohexanecarboxylate,ethyl 3-bromo-2-oxocyclohexanecarboxylate,CCOC(=O)C1CCCC(Br)C1=O,CCOC(=O)C1CCCC(Br)C1=O,"InChI=1/C9H13BrO3/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h6-7H,2-5H2,1H3",C9H13BrO3,,,,,,VKCMWLOBUILIOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.389,244-444-5,21563-97-3,"(benzyl)[4-[[4-[(benzyl)ethylammonio]phenyl](2,4-disulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)ammonium","4-({4-[benzyl(ethyl)ammonio]phenyl}{4-[benzyl(ethyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl)benzene-1,3-disulfonate",[O-]S(=O)(=O)c1ccc(c(c1)S([O-])(=O)=O)/C(c2ccc(cc2)[NH+](Cc3ccccc3)CC)=C\\4/C=C\\C(/C=C/4)=[N+](Cc5ccccc5)CC,[O-]S(=O)(=O)c1ccc(c(c1)S([O-])(=O)=O)/C(c2ccc(cc2)[NH+](Cc3ccccc3)CC)=C\4/C=C\C(/C=C/4)=[N+](Cc5ccccc5)CC,"InChI=1/C37H36N2O6S2/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45)",C37H36N2O6S2,,,,,,VUXVWHOCQSLYRN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.390,244-445-0,21564-17-0,(benzothiazol-2-ylthio)methyl thiocyanate,"(1,3-benzothiazol-2-ylsulfanyl)methyl thiocyanate",N#CSCSc1nc2ccccc2s1,N#CSCSc1nc2ccccc2s1,"InChI=1/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2",C9H6N2S3,,,,,,TUBQDCKAWGHZPF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.401,244-457-6,21583-38-0,(2-hydroxyethyl) hydrogen succinate,4-(2-hydroxyethoxy)-4-oxobutanoic acid,OCCOC(=O)CCC(=O)O,OCCOC(=O)CCC(=O)O,"InChI=1/C6H10O5/c7-3-4-11-6(10)2-1-5(8)9/h7H,1-4H2,(H,8,9)",C6H10O5,,,,,,DPIASIXITIGMOO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.403,244-459-7,21584-13-4,5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonic acid,"2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid",OS(=O)(=O)CCN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,OS(=O)(=O)CCN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,"InChI=1/C14H14N2O4S4/c1-2-15-9-5-3-4-6-10(9)22-13(15)11-12(17)16(14(21)23-11)7-8-24(18,19)20/h3-6H,2,7-8H2,1H3,(H,18,19,20)",C14H14N2O4S4,,,,,,GGHDIYKCZSGHKB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.406,244-462-3,21590-91-0,Omidoline,2-methyl-3-{[4-(2-piperidin-1-ylethoxy)phenyl]amino}isoindolin-1-one,CN1C(Nc2ccc(OCCN3CCCCC3)cc2)c4ccccc4C1=O,CN1C(Nc2ccc(OCCN3CCCCC3)cc2)c4ccccc4C1=O,"InChI=1/C22H27N3O2/c1-24-21(19-7-3-4-8-20(19)22(24)26)23-17-9-11-18(12-10-17)27-16-15-25-13-5-2-6-14-25/h3-4,7-12,21,23H,2,5-6,13-16H2,1H3",C22H27N3O2,,,,,,OSRMGAHKSUHZOH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.368,246-621-2,25108-69-4,"1-chloro-4-(2,2-dichloro-1-methylcyclopropyl)benzene","1-chloro-4-(2,2-dichloro-1-methylcyclopropyl)benzene",CC1(CC1(Cl)Cl)c2ccc(Cl)cc2,CC1(CC1(Cl)Cl)c2ccc(Cl)cc2,"InChI=1/C10H9Cl3/c1-9(6-10(9,12)13)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3",C10H9Cl3,,,,,,OCHIAXYXHFOANO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.371,246-624-9,25109-76-6,"2,3-dibromobutyronitrile","2,3-dibromobutanenitrile",CC(Br)C(Br)C#N,CC(Br)C(Br)C#N,"InChI=1/C4H5Br2N/c1-3(5)4(6)2-7/h3-4H,1H3",C4H5Br2N,,,,,,TWLGLYVADVLALB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.001,248-416-3,27339-25-9,"3-(3,4-dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile","2-(3,4-dimethoxyphenyl)-2-isopropyl-5-oxopentanenitrile",COc1ccc(cc1OC)C(CCC=O)(C#N)C(C)C,COc1ccc(cc1OC)C(CCC=O)(C#N)C(C)C,"InChI=1/C16H21NO3/c1-12(2)16(11-17,8-5-9-18)13-6-7-14(19-3)15(10-13)20-4/h6-7,9-10,12H,5,8H2,1-4H3",C16H21NO3,,,,,,WANYSCJGLCSVDW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.263,248-705-4,27872-83-9,2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylethyl]amino]ethanol,2-({2-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylethyl}amino)ethanol,CC(Cc1ccc(Cl)c(c1)C(F)(F)F)NCCO,CC(Cc1ccc(Cl)c(c1)C(F)(F)F)NCCO,"InChI=1/C12H15ClF3NO/c1-8(17-4-5-18)6-9-2-3-11(13)10(7-9)12(14,15)16/h2-3,7-8,17-18H,4-6H2,1H3",C12H15ClF3NO,,,,,,PXUPYSJLILBVTG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.266,248-709-6,27878-36-0,2-(hydroxyimino)-3-(o-nitrophenyl)propionic acid,2-(hydroxyimino)-3-(2-nitrophenyl)propanoic acid,OC(=O)C(=NO)Cc1ccccc1[N+]([O-])=O,OC(=O)C(=NO)Cc1ccccc1[N+]([O-])=O,"InChI=1/C9H8N2O5/c12-9(13)7(10-14)5-6-3-1-2-4-8(6)11(15)16/h1-4,14H,5H2,(H,12,13)",C9H8N2O5,,,,,,RSAXUEMHVKBRSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.268,248-711-7,27885-92-3,Imidocarb,"1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea",O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,"InChI=1/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)",C19H20N6O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18479,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.268,SCEVFJUWLLRELN-UHFFFAOYSA-N,Positive,AU117001|AU117002|AU117003|AU117004|AU117005|AU117006,[M+H]+,CID10|CID20|CID22.6-33.9|CID40|CID50|CID30,349.1808:350.1839|349.1815:188.0844:350.185|188.0827:349.1806:162.1034|188.0836:162.1037:189.0865|188.0834:162.1047:145.0407|188.0836:162.1038:349.1797,Athens_Univ,,,,,
100.044.270,248-713-8,27893-14-7,2-ethoxy-2-oxoethyl salicylate,2-ethoxy-2-oxoethyl salicylate,CCOC(=O)COC(=O)c1ccccc1O,CCOC(=O)COC(=O)c1ccccc1O,"InChI=1/C11H12O5/c1-2-15-10(13)7-16-11(14)8-5-3-4-6-9(8)12/h3-6,12H,2,7H2,1H3",C11H12O5,,,,,,OOIBKTATDVJAFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.317,244-365-6,21397-07-9,2-chloro-1-fluoro-3-nitrobenzene,2-chloro-1-fluoro-3-nitrobenzene,[O-][N+](=O)c1cccc(F)c1Cl,[O-][N+](=O)c1cccc(F)c1Cl,InChI=1/C6H3ClFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H,C6H3ClFNO2,,,,,,NJZSQTMICFLABM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.320,244-368-2,21398-89-0,"2-(methoxymethyl)-2-methylpropane-1,3-diol","2-(methoxymethyl)-2-methylpropane-1,3-diol",COCC(C)(CO)CO,COCC(C)(CO)CO,"InChI=1/C6H14O3/c1-6(3-7,4-8)5-9-2/h7-8H,3-5H2,1-2H3",C6H14O3,,,,,,PHYLYOUKLVCIAO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.321,244-369-8,21402-12-0,"6,6'-(2-methylpropane-1,3-diyl)bis(1,3,5-triazine-2,4-diamine)","6,6'-(2-methylpropane-1,3-diyl)bis(1,3,5-triazine-2,4-diamine)",CC(Cc1nc(N)nc(N)n1)Cc2nc(N)nc(N)n2,CC(Cc1nc(N)nc(N)n1)Cc2nc(N)nc(N)n2,"InChI=1/C10H16N10/c1-4(2-5-15-7(11)19-8(12)16-5)3-6-17-9(13)20-10(14)18-6/h4H,2-3H2,1H3,(H4,11,12,15,16,19)(H4,13,14,17,18,20)",C10H16N10,,,,,,BZCCQQSAVSKZCV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.328,244-377-1,21411-81-4,2-(isopropyl)-5-methylcyclohexylamine,2-isopropyl-5-methylcyclohexanamine,CC(C)C1CCC(C)CC1N,CC(C)C1CCC(C)CC1N,"InChI=1/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3",C10H21N,,,,,,RBMUAGDCCJDQLE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.336,244-386-0,21434-14-0,"1,2-dihydro-1-phenyl-3H-1,2,4-triazole-3-thione","1-phenyl-1,2-dihydro-3H-1,2,4-triazole-3-thione",S=C1NN(C=N1)c2ccccc2,S=C1NN(C=N1)c2ccccc2,"InChI=1/C8H7N3S/c12-8-9-6-11(10-8)7-4-2-1-3-5-7/h1-6H,(H,10,12)",C8H7N3S,,,,,,OJTPBFMSYXRIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.340,244-390-2,21441-72-5,"[3R-(3a,3aß,7ß,8aa)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methanol",cedr-8-en-15-ol,CC1CCC2C(C)(C)C3CC12CC=C3CO,CC1CCC2C(C)(C)C3CC12CC=C3CO,"InChI=1/C15H24O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,10,12-13,16H,4-5,7-9H2,1-3H3",C15H24O,,,,,,FUZABTYGEVJEPT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.342,244-392-3,21446-87-7,"1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine hydrochloride","1-methyl-2-[2-(2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine hydrochloride",Cl.CN1CCCN=C1\\C=C\\c2cccs2,Cl.CN1CCCN=C1\C=C\c2cccs2,"InChI=1/C11H14N2S.ClH/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;/h2,4-6,9H,3,7-8H2,1H3;1H",C11H14N2S.ClH,,,,,,ZYCUDGIOGBIKAV-IPZCTEOASA-N,,,,,,,,,,,
100.040.344,244-394-4,21450-52-2,Bromotetraphenylantimony,bromo(tetraphenyl)stiborane,Br[Sb](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4,Br[Sb](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/4C6H5.BrH.Sb/c4*1-2-4-6-5-3-1;;/h4*1-5H;1H;/q;;;;;+1/p-1/rC24H20BrSb/c25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",C24H20BrSb,,,,,,MRSXZVCXTGNNFI-UHFFFAOYSA-M,,,,,,,,,,,
100.040.347,244-398-6,21462-39-5,Clindamycin hydrochloride,"methyl 7-chloro-6,7,8-trideoxy-6-[(1-methyl-4-propyl-L-prolyl)amino]-1-thio-L-threo-alpha-D-galacto-octopyranoside hydrochloride",Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O,Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O,"InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H",C18H33ClN2O5S.ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7690,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.347,AUODDLQVRAJAJM-XJQDNNTCSA-N,,,,,,,,,,,
100.040.349,244-400-5,21466-07-9,Bromofenofos,"3,3',5,5'-tetrabromo-2'-hydroxybiphenyl-2-yl dihydrogen phosphate",Oc1c(Br)cc(Br)cc1c2cc(Br)cc(Br)c2OP(=O)(O)O,Oc1c(Br)cc(Br)cc1c2cc(Br)cc(Br)c2OP(=O)(O)O,"InChI=1/C12H7Br4O5P/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)21-22(18,19)20/h1-4,17H,(H2,18,19,20)",C12H7Br4O5P,,,,,,MMYHZEDBTMXYAF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.350,244-401-0,21467-59-4,Tris(ethylsulphonyl)methane,"1,1',1''-(methanetriyltrisulfonyl)triethane",CCS(=O)(=O)C(S(=O)(=O)CC)S(=O)(=O)CC,CCS(=O)(=O)C(S(=O)(=O)CC)S(=O)(=O)CC,"InChI=1/C7H16O6S3/c1-4-14(8,9)7(15(10,11)5-2)16(12,13)6-3/h7H,4-6H2,1-3H3",C7H16O6S3,,,,,,ZMZMWZJOEIWLQL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.552,222-607-1,3553-80-8,Ethyl diethylcarbamate,ethyl diethylcarbamate,CCOC(=O)N(CC)CC,CCOC(=O)N(CC)CC,"InChI=1/C7H15NO2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3",C7H15NO2,,,,,,VAJCYQHLYBTSHG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.554,222-609-2,3554-74-3,1-methylpiperidin-3-ol,1-methylpiperidin-3-ol,CN1CCCC(O)C1,CN1CCCC(O)C1,"InChI=1/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3",C6H13NO,,,,,,UKANCZCEGQDKGF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.557,222-612-9,3555-45-1,Bis(trimethylsilyl) diethyl silicate,diethyl bis(trimethylsilyl) orthosilicate,CCO[Si](OCC)(O[Si](C)(C)C)O[Si](C)(C)C,CCO[Si](OCC)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C10H28O4Si3/c1-9-11-17(12-10-2,13-15(3,4)5)14-16(6,7)8/h9-10H2,1-8H3",C10H28O4Si3,,,,,,QZGNEODXJZDIBK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.566,222-622-3,3560-17-6,p-nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate,4-nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate,CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C21H24N2O6S/c1-21(2,3)29-20(25)22-18(14-30-13-15-7-5-4-6-8-15)19(24)28-17-11-9-16(10-12-17)23(26)27/h4-12,18H,13-14H2,1-3H3,(H,22,25)",C21H24N2O6S,,,,,,DEQZTANESNRFKU-SFHVURJKSA-N,,,,,,,,,,,
100.020.569,222-626-5,6/03/3562,4-nitrophenyl O-benzyl-N-[(benzyloxy)carbonyl]-L-tyrosinate,4-nitrophenyl O-benzyl-N-[(benzyloxy)carbonyl]-L-tyrosinate,[O-][N+](=O)c1ccc(OC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OCc4ccccc4)cc1,[O-][N+](=O)c1ccc(OC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OCc4ccccc4)cc1,"InChI=1/C30H26N2O7/c33-29(39-27-17-13-25(14-18-27)32(35)36)28(31-30(34)38-21-24-9-5-2-6-10-24)19-22-11-15-26(16-12-22)37-20-23-7-3-1-4-8-23/h1-18,28H,19-21H2,(H,31,34)",C30H26N2O7,,,,,,NHTWLOMKUANJOW-NDEPHWFRSA-N,,,,,,,,,,,
100.020.572,222-629-1,3562-73-0,"a-methyl[1,1'-biphenyl]-4-methanol",1-biphenyl-4-ylethanol,CC(O)c1ccc(cc1)c2ccccc2,CC(O)c1ccc(cc1)c2ccccc2,"InChI=1/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15H,1H3",C14H14O,,,,,,GOISDOCZKZYADO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.574,222-631-2,3562-99-0,4-(1-naphthyl)-4-oxobutanoic acid,4-(1-naphthyl)-4-oxobutanoic acid,OC(=O)CCC(=O)c1cccc2ccccc12,OC(=O)CCC(=O)c1cccc2ccccc12,"InChI=1/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)",C15H14O4,,,,,,YNEXYDHOGAIPHO-UHFFFAOYSA-N,,,,,,,,,,,
100.020.577,222-634-9,3563-58-4,Chloralodol,"2-methyl-4-(2,2,2-trichloro-1-hydroxyethoxy)pentan-2-ol",CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl,CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl,"InChI=1/C8H15Cl3O3/c1-5(4-7(2,3)13)14-6(12)8(9,10)11/h5-6,12-13H,4H2,1-3H3",C8H15Cl3O3,,,,,,QVFWZNCVPCJQOP-UHFFFAOYSA-N,,,,,,,,,,,
100.020.578,222-635-4,3563-76-6,1-[2-(2-benzylphenoxy)-1-methylethyl]piperidinium dihydrogen phosphate,1-[2-(2-benzylphenoxy)-1-methylethyl]piperidinium dihydrogen phosphate,CC(COc1ccccc1Cc2ccccc2)[NH+]3CCCCC3.[O-]P(=O)([O-])[O-],CC(COc1ccccc1Cc2ccccc2)[NH+]3CCCCC3.[O-]P(=O)([O-])[O-],"InChI=1/C21H27NO.H3O4P/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19;1-5(2,3)4/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;(H3,1,2,3,4)/p-2",C21H27NO.xH3O4P,,,,,,MCVUURBOSHQXMK-UHFFFAOYSA-L,,,,,,,,,,,
100.020.582,222-640-1,3564-15-6,"Sodium 5-(2,4-diamino-5-(2-hydroxy-5-nitrophenylazo)phenylazo)naphthalene-1-sulphonate","sodium 5-({2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)diazenyl]phenyl}diazenyl)naphthalene-1-sulfonate",[Na+].Oc4ccc(cc4N=Nc3cc(N=Nc2cccc1c2cccc1S([O-])(=O)=O)c(N)cc3N)[N+]([O-])=O,[Na+].Oc4ccc(cc4N=Nc3cc(N=Nc2cccc1c2cccc1S([O-])(=O)=O)c(N)cc3N)[N+]([O-])=O,"InChI=1/C22H17N7O6S.Na/c23-15-10-16(24)19(27-28-20-9-12(29(31)32)7-8-21(20)30)11-18(15)26-25-17-5-1-4-14-13(17)3-2-6-22(14)36(33,34)35;/h1-11,30H,23-24H2,(H,33,34,35);/q;+1/p-1",C22H17N7O6S.Na,,,,,,KHXQQMBFMDTPSD-UHFFFAOYSA-M,,,,,,,,,,,
100.020.585,222-643-8,3564-22-5,3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(3-nitrophenyl)naphthalene-2-carboxamide,3-hydroxy-4-[(4-methyl-2-nitrophenyl)diazenyl]-N-(3-nitrophenyl)-2-naphthamide,[O-][N+](=O)c1cccc(c1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(C)cc3[N+]([O-])=O)c4O,[O-][N+](=O)c1cccc(c1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(C)cc3[N+]([O-])=O)c4O,"InChI=1/C24H17N5O6/c1-14-9-10-20(21(11-14)29(34)35)26-27-22-18-8-3-2-5-15(18)12-19(23(22)30)24(31)25-16-6-4-7-17(13-16)28(32)33/h2-13,30H,1H3,(H,25,31)",C24H17N5O6,,,,,,MCSXGCZMEPXKIW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.584,220-441-4,2766-77-0,"Sodium 6-hydroxy-5-(1-naphthylazo)naphthalene-2,4-disulphonate","disodium 7-hydroxy-8-(1-naphthyldiazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4cc3ccc(O)c(N=Nc2cccc1ccccc12)c3c(c4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4cc3ccc(O)c(N=Nc2cccc1ccccc12)c3c(c4)S([O-])(=O)=O,"InChI=1/C20H14N2O7S2.2Na/c23-17-9-8-13-10-14(30(24,25)26)11-18(31(27,28)29)19(13)20(17)22-21-16-7-3-5-12-4-1-2-6-15(12)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H14N2O7S2.2Na,,,,,,FUGCXLNGEHFIOA-UHFFFAOYSA-L,,,,,,,,,,,
100.018.586,220-444-0,2767-70-6,(p-nitrobenzyl)triphenylphosphonium bromide,(4-nitrobenzyl)(triphenyl)phosphonium bromide,[Br-].[O-][N+](=O)c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1,[Br-].[O-][N+](=O)c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1,"InChI=1/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1",C25H21NO2P.Br,,,,,,IPJPTPFIJLFWLP-UHFFFAOYSA-M,,,,,,,,,,,
100.040.353,244-404-7,21478-01-3,"[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl palmitate",2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)S(=O)(=O)C,CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)S(=O)(=O)C,"InChI=1/C28H45Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(32)37-21-24(31-28(34)27(29)30)26(33)22-17-19-23(20-18-22)38(2,35)36/h17-20,24,26-27,33H,3-16,21H2,1-2H3,(H,31,34)",C28H45Cl2NO6S,,,,,,MYPUUWZQHGIRSY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.354,244-405-2,21478-11-5,"N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine","N~2~-isobutyryl-N~2~-octadecyl-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-L-asparagine",CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)NC1=NN(C(=O)C1)c2ccccc2)C(=O)O)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)NC1=NN(C(=O)C1)c2ccccc2)C(=O)O)C(=O)C(C)C,"InChI=1/C35H56N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-38(34(42)28(2)3)30(35(43)44)26-32(40)36-31-27-33(41)39(37-31)29-23-20-19-21-24-29/h19-21,23-24,28,30H,4-18,22,25-27H2,1-3H3,(H,43,44)(H,36,37,40)",C35H56N4O5,,,,,,JLUISDDIQNPTPU-PMERELPUSA-N,,,,,,,,,,,
100.040.360,244-412-0,21509-92-2,"13-amino-N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-2,5,8,11-tetraazatridecanamide","1,3-bis(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)urea",NCCNCCNCCNCCNC(=O)NCCNCCNCCNCCN,NCCNCCNCCNCCNC(=O)NCCNCCNCCNCCN,"InChI=1/C17H44N10O/c18-1-3-20-5-7-22-9-11-24-13-15-26-17(28)27-16-14-25-12-10-23-8-6-21-4-2-19/h20-25H,1-16,18-19H2,(H2,26,27,28)",C17H44N10O,,,,,,CJHLBUPFEOHCOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.362,244-414-1,21511-25-1,"3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone","3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one",COc1cc(ccc1O)C2=C(O)C(=O)c3ccc(O)cc3O2,COc1cc(ccc1O)C2=C(O)C(=O)c3ccc(O)cc3O2,"InChI=1/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3",C16H12O6,,,,,,WRFQRUBJBPLPAM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.949,248-359-4,27243-07-8,"4,8-dimethylnon-7-en-3-ol","4,8-dimethylnon-7-en-3-ol",CCC(O)C(C)CCC=C(C)C,CCC(O)C(C)CCC=C(C)C,"InChI=1/C11H22O/c1-5-11(12)10(4)8-6-7-9(2)3/h7,10-12H,5-6,8H2,1-4H3",C11H22O,,,,,,OLPJEGSRSMHTIA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.962,248-374-6,27253-32-3,Manganese neodecanoate,-,[Mn].CC(C)(CC(C)(C)C)CC(O)=O,[Mn].CC(C)(CC(C)(C)C)CC(O)=O,"InChI=1/C10H20O2.Mn/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);/q;+2",C10H20O2.xMn,,,,,,RCRGINDDSWHQBP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.972,248-385-6,27279-86-3,2-oxo-2H-1-benzopyran-6-sulphonic acid,2-oxo-2H-chromene-6-sulfonic acid,OS(=O)(=O)c1ccc2OC(=O)C=Cc2c1,OS(=O)(=O)c1ccc2OC(=O)C=Cc2c1,"InChI=1/C9H6O5S/c10-9-4-1-6-5-7(15(11,12)13)2-3-8(6)14-9/h1-5H,(H,11,12,13)",C9H6O5S,,,,,,SXOYTVCGDVNJOF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.980,248-394-5,27310-25-4,"7-aminonaphthalene-1,3,5-trisulphonic acid","7-aminonaphthalene-1,3,5-trisulfonic acid",Nc1cc(c2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(c2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)",C10H9NO9S3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11107,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.980,HKTWHHAJDJCUPC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.984,248-398-7,27315-91-9,Pipebuzone,"4-butyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2-diphenylpyrazolidine-3,5-dione",CCCCC1(CN2CCN(C)CC2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4,CCCCC1(CN2CCN(C)CC2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4,"InChI=1/C25H32N4O2/c1-3-4-15-25(20-27-18-16-26(2)17-19-27)23(30)28(21-11-7-5-8-12-21)29(24(25)31)22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3",C25H32N4O2,,,,,,XGNKHIPCARGLGS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.987,248-401-1,27318-03-2,Vanadium tetrahydroxide,vanadium tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[V+2].[V+2],[OH-].[OH-].[OH-].[OH-].[V+2].[V+2],InChI=1/4H2O.2V/h4*1H2;;/q;;;;2*+2/p-4,H4O4V,,,,,,NKOBGNNLUQNJPQ-UHFFFAOYSA-J,,,,,,,,,,,
100.040.663,244-745-1,22037-88-3,"[3R-(3a,3aß,6ß,7ß,8aa)]-octahydro-3,8,8-trimethylspiro[6H-3a,7-methanoazulene-6,2'-oxirane]","8,15-epoxycedrane",CC1CCC2C(C)(C)C3CC12CCC34CO4,CC1CCC2C(C)(C)C3CC12CCC34CO4,"InChI=1/C15H24O/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12)9-16-15/h10-12H,4-9H2,1-3H3",C15H24O,,,,,,BWDPPCMUUFETAC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.667,244-749-3,22042-71-3,(p-formylphenoxy)acetic acid,(4-formylphenoxy)acetic acid,OC(=O)COc1ccc(C=O)cc1,OC(=O)COc1ccc(C=O)cc1,"InChI=1/C9H8O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)",C9H8O4,,,,,,OYNIIKHNXNPSAG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.674,244-757-7,22065-85-6,1-benzylpiperidine-4-carbaldehyde,1-benzylpiperidine-4-carbaldehyde,O=CC1CCN(Cc2ccccc2)CC1,O=CC1CCN(Cc2ccccc2)CC1,"InChI=1/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2",C13H17NO,,,,,,SGIBOXBBPQRZDM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.685,244-769-2,22080-93-9,4-chloro-2-(chlorophenylmethylene)butyraldehyde,4-chloro-2-[chloro(phenyl)methylene]butanal,ClC(=C(C=O)CCCl)c1ccccc1,ClC(=C(C=O)CCCl)c1ccccc1,"InChI=1/C11H10Cl2O/c12-7-6-10(8-14)11(13)9-4-2-1-3-5-9/h1-5,8H,6-7H2",C11H10Cl2O,,,,,,XFAWAGDMIKYIIK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.687,244-771-3,22091-92-5,"3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide","3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one",CCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)c5c(C)n(CC)c6ccccc56,CCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)c5c(C)n(CC)c6ccccc56,"InChI=1/C30H28N2O2/c1-5-31-19(3)27(22-14-8-11-17-25(22)31)30(24-16-10-7-13-21(24)29(33)34-30)28-20(4)32(6-2)26-18-12-9-15-23(26)28/h7-18H,5-6H2,1-4H3",C30H28N2O2,,,,,,CONFUNYOPVYVDC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.004,248-420-5,27344-06-5,"Disodium 4,4'-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred name)",NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCC(=O)N)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])n1,NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCC(=O)N)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])n1,"InChI=1/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2/rC42H44N14Na2O10S2/c43-35(61)17-19-55(21-23-59)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)69(63,64)67-57)11-12-28-14-16-32(26-34(28)70(65,66)68-58)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-60)20-18-36(44)62/h1-16,25-26,59-60H,17-24H2,(H2,43,61)(H2,44,62)(H2,45,47,49,51,53)(H2,46,48,50,52,54)",C42H46N14O10S2.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13806,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.004,KXZDXBWYWMOFCR-UHFFFAOYSA-L,,,,,,,,,,,
100.044.005,248-421-0,27344-41-8,"Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulphonate)","disodium 2,2'-(biphenyl-4,4'-diyldiethene-2,1-diyl)dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1\\C=C\\c2ccc(cc2)c3ccc(\\C=C\\c4ccccc4S(=O)(=O)[O-])cc3,[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1\C=C\c2ccc(cc2)c3ccc(\C=C\c4ccccc4S(=O)(=O)[O-])cc3,"InChI=1/C28H22O6S2.2Na/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34;;/h1-20H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C28H22O6S2.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13511,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.005,PMPJQLCPEQFEJW-HPKCLRQXSA-L,,,,,,,,,,,
100.044.010,248-426-8,27360-58-3,(dihydroxyphenyl)phenylmercury,"(2,4-dihydroxyphenyl)(phenyl)mercury",OC=2\\C=C(\\O)/C=C\\C=2[Hg]c1ccccc1,OC=2\C=C(\O)/C=C\C=2[Hg]c1ccccc1,"InChI=1/C6H5O2.C6H5.Hg/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1;/h1-2,4,7-8H;1-5H;/rC12H10HgO2/c14-10-6-7-11(12(15)8-10)13-9-4-2-1-3-5-9/h1-8,14-15H",C12H10HgO2,,,,,,DNZXWDUPPLHSQL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.017,248-434-1,27379-58-4,D-glucitol monomyristate,1-O-tetradecanoyl-D-glucitol,CCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C20H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(24)27-15-17(23)20(26)19(25)16(22)14-21/h16-17,19-23,25-26H,2-15H2,1H3",C20H40O7,,,,,,QNOBYPFIKDXBPL-PIKOESSRSA-N,,,,,,,,,,,
100.044.019,248-436-2,27386-01-2,"5-(methylamino)-1,3,4-thiadiazole-2(3H)-thione","5-(methylamino)-1,3,4-thiadiazole-2(3H)-thione",CNC1=NNC(=S)S1,CNC1=NNC(=S)S1,"InChI=1/C3H5N3S2/c1-4-2-5-6-3(7)8-2/h1H3,(H,4,5)(H,6,7)",C3H5N3S2,,,,,,JMRAYTPNXKJWAX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.020,248-437-8,27387-79-7,Butyl 3-chloropropionate,butyl 3-chloropropanoate,CCCCOC(=O)CCCl,CCCCOC(=O)CCCl,"InChI=1/C7H13ClO2/c1-2-3-6-10-7(9)4-5-8/h2-6H2,1H3",C7H13ClO2,,,,,,KRZKQEQBZXWCDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.029,248-447-2,27414-68-2,"Disodium 2-(1,3-dihydro-3-oxo-7-sulphonato-2H-indol-2-ylidene)-3-oxoindoline-5-sulphonate","disodium 3,3'-dioxo-1,1',3,3'-tetrahydro-2,2'-biindole-5,7'-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c2cccc1C(=O)C(Nc12)=C4Nc3ccc(cc3C4=O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c2cccc1C(=O)C(Nc12)=C4Nc3ccc(cc3C4=O)S([O-])(=O)=O,"InChI=1/C16H10N2O8S2.2Na/c19-15-8-2-1-3-11(28(24,25)26)12(8)18-14(15)13-16(20)9-6-7(27(21,22)23)4-5-10(9)17-13;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C16H10N2O8S2.2Na,,,,,,QVTMQQLVIHWZOG-UHFFFAOYSA-L,,,,,,,,,,,
100.044.034,248-453-5,27425-58-7,Disodium [3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulphonato(3-)][1-[[2-hydroxy-5-[(2-methoxyphenyl)azo]phenyl]azo]-2-naphtholato(2-)]chromate(2-),disodium [3-(hydroxy-kappaO)-4-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonato(3-)][1-({2-(hydroxy-kappaO)-5-[(2-methoxyphenyl)diazenyl]phenyl}diazenyl)-2-naphtholato(2-)-kappaO]chromate(2-),COc1ccccc1N=Nc2ccc3O[Cr](Oc4cc(c5ccccc5c4N=Nc6c(O[Na])ccc7ccccc67)S(=O)(=O)O[Na])Oc8ccc9ccccc9c8N=Nc3c2,COc1ccccc1N=Nc2ccc3O[Cr](Oc4cc(c5ccccc5c4N=Nc6c(O[Na])ccc7ccccc67)S(=O)(=O)O[Na])Oc8ccc9ccccc9c8N=Nc3c2,"InChI=1/C23H18N4O3.C20H14N2O5S.Cr.2Na/c1-30-22-9-5-4-8-18(22)25-24-16-11-13-20(28)19(14-16)26-27-23-17-7-3-2-6-15(17)10-12-21(23)29;23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2-14,28-29H,1H3;1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-5/rC43H28CrN6NaO8S.Na/c1-55-36-17-9-8-16-33(36)46-45-28-20-23-37-34(24-28)47-49-42-30-13-5-3-11-27(30)19-22-38(42)57-44(56-37)58-39-25-40(60(53,54)59-51)31-14-6-7-15-32(31)43(39)50-48-41-29-12-4-2-10-26(29)18-21-35(41)52;/h2-25,52H,1H3;/q;+1/p-1",C43H27CrN6O8S.2Na,,,,,,LVSSSXCCKHGHGL-UHFFFAOYSA-I,,,,,,,,,,,
100.045.571,250-144-5,30356-07-1,"(S)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline","1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline",COc1ccc(C[C@@H]2NCCC3=C2CCCC3)cc1,COc1ccc(C[C@@H]2NCCC3=C2CCCC3)cc1,"InChI=1/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3",C17H23NO,,,,,,NPEVCJZMQGZNET-KRWDZBQOSA-N,,,,,,,,,,,
100.045.576,250-149-2,30361-33-2,"(2E,4E)-2,4-decadienoic acid","deca-2,4-dienoic acid",CCCCC\\C=C\\C=C\\C(=O)O,CCCCC\C=C\C=C\C(=O)O,"InChI=1/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)",C10H16O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16840,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.576,YKHVVNDSWHSBPA-BLHCBFLLSA-N,,,,,,,,,,,
100.045.578,250-151-3,30364-51-3,Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate,sodium [methyl(tetradecanoyl)amino]acetate,CCCCCCCCCCCCCC(=O)N(C)CC(=O)O[Na],CCCCCCCCCCCCCC(=O)N(C)CC(=O)O[Na],"InChI=1/C17H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;/h3-15H2,1-2H3,(H,20,21);/q;+1/p-1",C17H33NO3.Na,,,,,,KHCOJQDJOCNUGV-UHFFFAOYSA-M,,,,,,,,,,,
100.043.952,248-363-6,27247-96-7,2-ethylhexyl nitrate,2-ethylhexyl nitrate,CCCCC(CC)CO[N+](=O)[O-],CCCCC(CC)CO[N+](=O)[O-],"InChI=1/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3",C8H17NO3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15498,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.952,NKRVGWFEFKCZAP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.954,248-365-7,27251-75-8,"Triisooctyl benzene-1,2,4-tricarboxylate","tris(6-methylheptyl) benzene-1,2,4-tricarboxylate",CC(C)CCCCCOC(=O)c1ccc(C(=O)OCCCCCC(C)C)c(c1)C(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)c1ccc(C(=O)OCCCCCC(C)C)c(c1)C(=O)OCCCCCC(C)C,"InChI=1/C33H54O6/c1-25(2)16-10-7-13-21-37-31(34)28-19-20-29(32(35)38-22-14-8-11-17-26(3)4)30(24-28)33(36)39-23-15-9-12-18-27(5)6/h19-20,24-27H,7-18,21-23H2,1-6H3",C33H54O6,,,,,,WDRCVXGINNJWPH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.961,248-373-0,27253-31-2,"Neodecanoic acid, cobalt salt","cobalt(2+) bis(2-ethyl-2,5-dimethylhexanoate)",[Co+2].CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-],[Co+2].CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-],"InChI=1/2C10H20O2.Co/c2*1-5-10(4,9(11)12)7-6-8(2)3;/h2*8H,5-7H2,1-4H3,(H,11,12);/q;;+2/p-2",C10H20O2.xCo,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13399,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.961,KOKXAPDKXDSOEG-UHFFFAOYSA-L,,,,,,,,,,,
100.043.975,248-388-2,27288-44-4,Antimony(3+) tris[2-(isooctyloxy)-2-oxoethanethiolate],antimony(3+) tris{2-[(6-methylheptyl)oxy]-2-oxoethanethiolate},[Sb+3].CC(C)CCCCCOC(=O)C[S-].CC(C)CCCCCOC(=O)C[S-].CC(C)CCCCCOC(=O)C[S-],[Sb+3].CC(C)CCCCCOC(=O)C[S-].CC(C)CCCCCOC(=O)C[S-].CC(C)CCCCCOC(=O)C[S-],"InChI=1/3C10H20O2S.Sb/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;/h3*9,13H,3-8H2,1-2H3;/q;;;+3/p-3",C10H20O2S.1/3Sb,,,,,,OATORLCCIQBWBF-UHFFFAOYSA-K,,,,,,,,,,,
100.043.983,248-397-1,27314-13-2,Norflurazon,4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one,CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F,CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F,"InChI=1/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3",C12H9ClF3N3O,,,,,,NVGOPFQZYCNLDU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.992,248-406-9,27323-41-7,"Dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","4-dodecylbenzenesulfonic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O.OCCN(CCO)CCO,"InChI=1/C18H30O3S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;8-4-1-7(2-5-9)3-6-10/h13-16H,2-12H2,1H3,(H,19,20,21);8-10H,1-6H2",C18H30O3S.C6H15NO3,,,,,,JHWLWOYSFJIYQV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.650,244-731-5,22026-63-7,[2-(butyrylthio)ethyl]trimethylammonium chloride,"2-(butyrylsulfanyl)-N,N,N-trimethylethanaminium chloride",[Cl-].CCCC(=O)SCC[N+](C)(C)C,[Cl-].CCCC(=O)SCC[N+](C)(C)C,"InChI=1/C9H20NOS.ClH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1",C9H20NOS.Cl,,,,,,QYNZLUZQWOCGCH-UHFFFAOYSA-M,,,,,,,,,,,
100.040.659,244-740-4,22031-33-0,2-[N-(2-cyanoethyl)anilino]ethyl acetate,2-[(2-cyanoethyl)(phenyl)amino]ethyl acetate,CC(=O)OCCN(CCC#N)c1ccccc1,CC(=O)OCCN(CCC#N)c1ccccc1,"InChI=1/C13H16N2O2/c1-12(16)17-11-10-15(9-5-8-14)13-6-3-2-4-7-13/h2-4,6-7H,5,9-11H2,1H3",C13H16N2O2,,,,,,RRGWFPOSTSQIQE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.664,244-746-7,22038-40-0,4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-N-nitrosoaniline,4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-N-nitrosoaniline,CC(C)(c1ccccc1)c2ccc(cc2)N(N=O)c3ccc(cc3)C(C)(C)c4ccccc4,CC(C)(c1ccccc1)c2ccc(cc2)N(N=O)c3ccc(cc3)C(C)(C)c4ccccc4,"InChI=1/C30H30N2O/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)32(31-33)28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22H,1-4H3",C30H30N2O,,,,,,DFFUDDIDAFAXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.669,244-751-4,22042-96-2,"[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic acid, sodium salt","sodium hydrogen [10,10-dihydroxy-10-oxido-2,5,8-tris(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate",[Na+].OP(=O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)[O-],[Na+].OP(=O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)[O-],"InChI=1/C9H28N3O15P5.Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);/q;+1/p-1",C9H28N3O15P5.xNa,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14945,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.669,ODBPOHVSVJZQRX-UHFFFAOYSA-M,,,,,,,,,,,
100.040.670,244-753-5,22047-25-2,Pyrazin-1-ylethan-1-one,"1-(1,4-dihydropyrazin-2-yl)ethanone",CC(=O)C\\1=C\\N\\C=C/N/1,CC(=O)C\1=C\N\C=C/N/1,"InChI=1/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h2-4,7-8H,1H3",C6H6N2O,,,,,,VZDCYMKSFBUUOE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.676,244-759-8,22071-15-4,Ketoprofen,2-(3-benzoylphenyl)propanoic acid,CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2,CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2,"InChI=1/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",C16H14O3,,,,,,DKYWVDODHFEZIM-UHFFFAOYSA-N,Positive/Negative,AU115001|AU115002|AU115003;SM856202;EA020501|EA020502|EA020503|EA020504|EA020505|EA020506|EA020507|EA020508|EA020509|EA020510|EA020511|EA020512|EA020513|EA020514;UF408601|UF408602|UF408603|UF408604,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,255.0978:209.093:256.1003|209.0927:210.0959:177.0526|209.0923:177.0518:194.0688;209.0959:105.0334:255.1013;209.0962:105.0333:177.0546|255.1017:209.0961:105.0333|209.0962:105.0335:255.1016|105.0335:209.096:177.0547|105.0336:177.055:209.0961|105.0335:77.0386:103.0542|105.0334:77.0386:103.0542|255.1016:209.0961:105.0333|209.0962:105.0335:255.1015|105.0335:209.0962:177.0547|105.0335:177.0546:209.0961|105.0335:77.0386:103.0542|105.0335:77.0386:103.0542|209.0961:105.0335:177.0545;105.0335:209.0963:177.0548|105.0335:77.0386:103.0543|209.096:105.0334:177.0547|209.096:105.0335:177.0548,Athens_Univ;CASMI_2016;Eawag;UFZ,SM856255;EA020551|EA020552|EA020553|EA020558|EA020559|EA020564;UF408653|UF408654,[M-H]-;[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD15|HCD30|CID35;CID35|CID55,197.0608:209.0974:253.0872;209.0974:197.0611:185.0609|197.061:241.0869:185.0609|197.0611|197.0609:241.0866:185.061|197.0607|209.0974:197.061:185.0608;209.0966|209.0971,CASMI_2016;Eawag;UFZ
100.040.682,244-766-6,22072-19-1,Tetrahydrothiopyran-3-ol,tetrahydro-2H-thiopyran-3-ol,OC1CCCSC1,OC1CCCSC1,"InChI=1/C5H10OS/c6-5-2-1-3-7-4-5/h5-6H,1-4H2",C5H10OS,,,,,,ZHHOMIAGFRSWCU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.683,244-767-1,22072-50-0,1-[4-(methoxymethyl)phenyl]ethan-1-one,1-[4-(methoxymethyl)phenyl]ethanone,COCc1ccc(cc1)C(=O)C,COCc1ccc(cc1)C(=O)C,"InChI=1/C10H12O2/c1-8(11)10-5-3-9(4-6-10)7-12-2/h3-6H,7H2,1-2H3",C10H12O2,,,,,,WKGOPZYVTPKHLN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.688,244-772-9,22092-38-2,Pentadecyloxirane,2-pentadecyloxirane,CCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCC1CO1,"InChI=1/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18-17/h17H,2-16H2,1H3",C17H34O,,,,,,XSNXNMMWBCZUSS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.591,220-449-8,7/02/2768,Trimethoxyvinylsilane,trimethoxy(vinyl)silane,CO[Si](OC)(OC)C=C,CO[Si](OC)(OC)C=C,"InChI=1/C5H12O3Si/c1-5-9(6-2,7-3)8-4/h5H,1H2,2-4H3",C5H12O3Si,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14728,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.591,NKSJNEHGWDZZQF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.594,220-452-4,2768-31-2,Benzyl diethyl phosphite,benzyl diethyl phosphite,CCOP(OCC)OCc1ccccc1,CCOP(OCC)OCc1ccccc1,"InChI=1/C11H17O3P/c1-3-12-15(13-4-2)14-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",C11H17O3P,,,,,,ATRSPWZERUQFPN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.606,220-466-0,2772-45-4,"2,4-bis(1-methyl-1-phenylethyl)phenol","2,4-bis(1-methyl-1-phenylethyl)phenol",CC(C)(c1ccccc1)c2ccc(O)c(c2)C(C)(C)c3ccccc3,CC(C)(c1ccccc1)c2ccc(O)c(c2)C(C)(C)c3ccccc3,"InChI=1/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3",C24H26O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17219,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.606,FMUYQRFTLHAARI-UHFFFAOYSA-N,,,,,,,,,,,
100.018.613,220-473-9,2778-41-8,"1,4-bis(1-isocyanato-1-methylethyl)benzene","1,4-bis(1-isocyanato-1-methylethyl)benzene",CC(C)(N=C=O)c1ccc(cc1)C(C)(C)N=C=O,CC(C)(N=C=O)c1ccc(cc1)C(C)(C)N=C=O,"InChI=1/C14H16N2O2/c1-13(2,15-9-17)11-5-7-12(8-6-11)14(3,4)16-10-18/h5-8H,1-4H3",C14H16N2O2,,,,,,AGJCSCSSMFRMFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.621,220-482-8,5/11/2781,Diethyl bis(2-hydroxyethyl)aminomethylphosphonate,diethyl {[bis(2-hydroxyethyl)amino]methyl}phosphonate,CCOP(=O)(CN(CCO)CCO)OCC,CCOP(=O)(CN(CCO)CCO)OCC,"InChI=1/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3",C9H22NO5P,,,,,,CCJKFLLIJCGHMO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.622,220-483-3,9/04/2782,"D-glucaro-3,6-lactone","(3,4-dihydroxy-5-oxotetrahydrofuran-2-yl)(hydroxy)acetic acid (non-preferred name)",OC(C1OC(=O)C(O)C1O)C(=O)O,OC(C1OC(=O)C(O)C1O)C(=O)O,"InChI=1/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)",C6H8O7,,,,,,XECPAIJNBXCOBO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.624,220-485-4,2782-40-3,N-butylbenzamide,N-butylbenzamide,CCCCNC(=O)c1ccccc1,CCCCNC(=O)c1ccccc1,"InChI=1/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)",C11H15NO,,,,,,BAULSHLTGVOYKM-UHFFFAOYSA-N,,,,,,,,,,,
100.020.125,222-136-1,3367-95-1,"N,N-diethylpiperidine-3-carboxamide","N,N-diethylpiperidine-3-carboxamide",CCN(CC)C(=O)C1CCCNC1,CCN(CC)C(=O)C1CCCNC1,"InChI=1/C10H20N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h9,11H,3-8H2,1-2H3",C10H20N2O,,,,,,ZXQKYQVJDRTTLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.126,222-137-7,5/04/3368,4-methyl-2-oxo-2H-1-benzopyran-7-ylphosphonic acid,(4-methyl-2-oxo-2H-chromen-7-yl)phosphonic acid,CC1=CC(=O)Oc2cc(ccc12)P(=O)(O)O,CC1=CC(=O)Oc2cc(ccc12)P(=O)(O)O,"InChI=1/C10H9O5P/c1-6-4-10(11)15-9-5-7(16(12,13)14)2-3-8(6)9/h2-5H,1H3,(H2,12,13,14)",C10H9O6P,,,,,,GGQAZXRIQMUMTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.132,218-844-5,2251-65-2,"a,a,a-trifluoro-m-toluoyl chloride",3-(trifluoromethyl)benzoyl chloride,FC(F)(F)c1cccc(c1)C(=O)Cl,FC(F)(F)c1cccc(c1)C(=O)Cl,"InChI=1/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H",C8H4ClF3O,,,,,,RUJYJCANMOTJMO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.140,218-852-9,2254-94-6,3-methylbenzothiazole-2(3H)-thione,"3-methyl-1,3-benzothiazole-2(3H)-thione",CN1C(=S)Sc2ccccc12,CN1C(=S)Sc2ccccc12,"InChI=1/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3",C8H7NS2,,,,,,IRNRNPNZAKHEAW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.143,218-856-0,2257-35-4,"2,3,3-trichloroacrylic acid","2,3,3-trichloroacrylic acid",OC(=O)C(=C(Cl)Cl)Cl,OC(=O)C(=C(Cl)Cl)Cl,"InChI=1/C3HCl3O2/c4-1(2(5)6)3(7)8/h(H,7,8)",C3HCl3O2,,,,,,WMUBNWIGNSIRDH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.145,218-858-1,2259-14-5,"(1S-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid",CC(=CC1[C@H](C(=O)O)C1(C)C)C,CC(=CC1[C@H](C(=O)O)C1(C)C)C,"InChI=1/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)",C10H16O2,,,,,,XLOPRKKSAJMMEW-BRFYHDHCSA-N,,,,,,,,,,,
100.017.147,218-860-2,2260-00-6,Bis(S-methylthiouronium) sulphate,bis[amino(methylsulfanyl)methaniminium] sulfate,CSC(=[NH2+])N.CSC(=[NH2+])N.[O-]S(=O)(=O)[O-],CSC(=[NH2+])N.CSC(=[NH2+])N.[O-]S(=O)(=O)[O-],"InChI=1/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)",C2H6N2S.xH2O4S,,,,,,BZZXQZOBAUXLHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.157,218-871-2,2269-22-9,Aluminium tri-sec-butanolate,aluminum tributan-2-olate,CCC(C)O[Al](OC(C)CC)OC(C)CC,CCC(C)O[Al](OC(C)CC)OC(C)CC,"InChI=1/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3/rC12H27AlO3/c1-7-10(4)14-13(15-11(5)8-2)16-12(6)9-3/h10-12H,7-9H2,1-6H3",C4H10O.1/3Al,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12027,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.157,WOZZOSDBXABUFO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.167,218-882-2,2273-48-5,Didodecyloxostannane,didodecyl(oxo)stannane,CCCCCCCCCCCC[Sn](=O)CCCCCCCCCCCC,CCCCCCCCCCCC[Sn](=O)CCCCCCCCCCCC,"InChI=1/2C12H25.O.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;;/h2*1,3-12H2,2H3;;/rC24H50OSn/c1-3-5-7-9-11-13-15-17-19-21-23-26(25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C24H50OSn,,,,,,NXMNIHPHNSDPTN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.275,248-719-0,27899-45-2,"3,3-dimethylbicyclo[2.2.1]heptane-2-methanol","(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methanol",CC1(C)C2CCC(C2)C1CO,CC1(C)C2CCC(C2)C1CO,"InChI=1/C10H18O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,GICBKEFIACFATK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.280,248-724-8,27911-72-4,Tritetradecylamine,"N,N-ditetradecyltetradecan-1-amine",CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC,CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC,"InChI=1/C42H87N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3",C42H87N,,,,,,WFVLGDMOCAFNNS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.282,248-726-9,27917-82-4,"1-deoxy-1-(ethylamino)-D-glucitol, compound with 4-hydroxy-3-iodo-5-nitrobenzonitrile (1:1)",4-hydroxy-3-iodo-5-nitrobenzonitrile - 1-deoxy-1-(ethylamino)-D-glucitol (1:1),CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Oc1c(I)cc(cc1[N+](=O)[O-])C#N,CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Oc1c(I)cc(cc1[N+](=O)[O-])C#N,"InChI=1/C8H19NO5.C7H3IN2O3/c1-2-9-3-5(11)7(13)8(14)6(12)4-10;8-5-1-4(3-9)2-6(7(5)11)10(12)13/h5-14H,2-4H2,1H3;1-2,11H",C8H19NO5.C7H3IN2O3,,,,,,NIVIZBHSVXAGNW-ANJNCBFHSA-N,,,,,,,,,,,
100.044.287,248-732-1,27926-72-3,"4,4'-bipyridinium dichloride","4,4'-bipyridinium dichloride",[Cl-].[Cl-].c1cc(cc[nH+]1)c2cc[nH+]cc2,[Cl-].[Cl-].c1cc(cc[nH+]1)c2cc[nH+]cc2,InChI=1/C10H8N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-8H;2*1H,C10H8N2.2ClH,,,,,,UAGAQPUIDMGOLD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.294,248-740-5,27936-43-2,Potassium nonylphenolate,potassium 2-nonylphenolate,[K+].CCCCCCCCCc1ccccc1[O-],[K+].CCCCCCCCCc1ccccc1[O-],"InChI=1/C15H24O.K/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1",C15H24O.K,,,,,,XPCLSVISJWLKJE-UHFFFAOYSA-M,,,,,,,,,,,
100.044.305,248-752-0,27969-56-8,"p-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(5-hydroxy-3-methyl-4-{5-[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-1H-pyrazol-1-yl)benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)n4nc(C)c(C=CC=CC=C3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)c4O,OS(=O)(=O)c1ccc(cc1)n4nc(C)c(C=CC=CC=C3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)c4O,"InChI=1/C25H22N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h3-15,30H,1-2H3,(H,32,33,34)(H,35,36,37)",C25H22N4O8S2,,,,,,DJFUBWSUSQRGPS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.309,248-756-2,27982-29-2,"3-[[1,3-dioxo-3-[3-[(1-oxooctadecyl)amino]phenyl]propyl]amino]-4-methoxybenzenesulphonic acid",4-methoxy-3-({3-oxo-3-[3-(stearoylamino)phenyl]propanoyl}amino)benzenesulfonic acid,CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(ccc2OC)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(ccc2OC)S(=O)(=O)O,"InChI=1/C34H50N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33(38)35-28-20-18-19-27(24-28)31(37)26-34(39)36-30-25-29(44(40,41)42)22-23-32(30)43-2/h18-20,22-25H,3-17,21,26H2,1-2H3,(H,35,38)(H,36,39)(H,40,41,42)",C34H50N2O7S,,,,,,WBRNAYOLDDFLPV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.311,248-758-3,27982-36-1,"N-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxovaleramide","N-[5-({2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide",CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c2,CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c2,"InChI=1/C33H47ClN2O4/c1-11-26(40-27-17-14-21(32(7,8)12-2)18-23(27)33(9,10)13-3)30(39)35-22-15-16-24(34)25(19-22)36-29(38)20-28(37)31(4,5)6/h14-19,26H,11-13,20H2,1-10H3,(H,35,39)(H,36,38)",C33H47ClN2O4,,,,,,ICYVXWDOPHKLQR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.313,248-760-4,27985-87-1,"Cyclohexyl-1,1'-biphenyl",2-cyclohexylbiphenyl,C1CCC(CC1)c2ccccc2c3ccccc3,C1CCC(CC1)c2ccccc2c3ccccc3,"InChI=1/C18H20/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2",C18H20,,,,,,GRZJZRHVJAXMRR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.314,248-762-5,27986-36-3,2-(nonylphenoxy)ethanol,2-(2-nonylphenoxy)ethanol,CCCCCCCCCc1ccccc1OCCO,CCCCCCCCCc1ccccc1OCCO,"InChI=1/C17H28O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)19-15-14-18/h9-10,12-13,18H,2-8,11,14-15H2,1H3",C17H28O2,,,,,,IEORSVTYLWZQJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.364,244-416-2,21519-06-2,"2,4-dihydro-2-(3-hydroxyphenyl)-5-methyl-4-[[4-(phenylazo)phenyl]azo]-3H-pyrazol-3-one","2-(3-hydroxyphenyl)-5-methyl-4-{[4-(phenyldiazenyl)phenyl]diazenyl}-2,4-dihydro-3H-pyrazol-3-one",Oc1cccc(c1)N4/N=C(/C)C(N=Nc3ccc(N=Nc2ccccc2)cc3)C4=O,Oc1cccc(c1)N4/N=C(/C)C(N=Nc3ccc(N=Nc2ccccc2)cc3)C4=O,"InChI=1/C22H18N6O2/c1-15-21(22(30)28(27-15)19-8-5-9-20(29)14-19)26-25-18-12-10-17(11-13-18)24-23-16-6-3-2-4-7-16/h2-14,21,29H,1H3",C22H18N6O2,,,,,,MGLMOTGKYYVGOK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.366,244-418-3,21524-39-0,"2,3-difluorobenzonitrile","2,3-difluorobenzonitrile",Fc1cccc(C#N)c1F,Fc1cccc(C#N)c1F,InChI=1/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,C7H3F2N,,,,,,GKPHNZYMLJPYJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.689,244-773-4,22092-54-2,2-ethylvaleraldehyde,2-ethylpentanal,CCCC(CC)C=O,CCCC(CC)C=O,"InChI=1/C7H14O/c1-3-5-7(4-2)6-8/h6-7H,3-5H2,1-2H3",C7H14O,,,,,,OZGRFPZYTKHWMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.690,244-775-5,22094-23-1,1-formylethyl acetate,1-methyl-2-oxoethyl acetate,CC(OC(=O)C)C=O,CC(OC(=O)C)C=O,"InChI=1/C5H8O3/c1-4(3-6)8-5(2)7/h3-4H,1-2H3",C5H8O3,,,,,,FXPPNKAYSGWCQG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.692,244-777-6,22094-98-0,"Trisodium 5-(acetylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","trisodium 5-acetamido-4-hydroxy-3-[(4-methoxy-3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc1ccc(cc1S(=O)(=O)CCOS([O-])(=O)=O)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc1ccc(cc1S(=O)(=O)CCOS([O-])(=O)=O)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C21H21N3O15S4.3Na/c1-11(25)22-15-10-14(41(29,30)31)7-12-8-18(42(32,33)34)20(21(26)19(12)15)24-23-13-3-4-16(38-2)17(9-13)40(27,28)6-5-39-43(35,36)37;;;/h3-4,7-10,26H,5-6H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3",C21H21N3O15S4.3Na,,,,,,SBUCRPOEIUCKIJ-UHFFFAOYSA-K,,,,,,,,,,,
100.040.694,244-779-7,22101-20-8,2-(a-hydroxybenzhydryl)butyronitrile,2-[hydroxy(diphenyl)methyl]butanenitrile,CCC(C#N)C(O)(c1ccccc1)c2ccccc2,CCC(C#N)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C17H17NO/c1-2-14(13-18)17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,19H,2H2,1H3",C17H17NO,,,,,,ZDTPCZLGZKXXGW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.273,248-716-4,27896-84-0,5-nitrobenzimidazolium nitrate,"5-nitro-1H-3,1-benzimidazol-1-ium nitrate",[O-][N+](=O)[O-].[O-][N+](=O)c1ccc2[NH+]C=Nc2c1,[O-][N+](=O)[O-].[O-][N+](=O)c1ccc2[NH+]C=Nc2c1,"InChI=1/C7H5N3O2.NO3/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;2-1(3)4/h1-4H,(H,8,9);/q;-1/p+1",C7H5N3O2.HNO3,,,,,,ZPRIZQRIRBLQPY-UHFFFAOYSA-O,,,,,,,,,,,
100.044.283,248-727-4,27918-31-6,Pentafluorobenzenesulphenyl chloride,pentafluorobenzenesulfenyl chloride,Fc1c(F)c(F)c(SCl)c(F)c1F,Fc1c(F)c(F)c(SCl)c(F)c1F,InChI=1/C6ClF5S/c7-13-6-4(11)2(9)1(8)3(10)5(6)12,C6ClF5S,,,,,,ILZYHMZOLCNNCP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.293,248-738-4,27934-38-9,"5,5'-(thiodimethylene)bis[4-phenyl-4H-1,2,4-triazole-2-thiol]","3,3'-[sulfanediylbis(methylene)]bis(4-phenyl-1-sulfanyl-4,5-dihydro-1H-1,2,4-triazole)",SN1CN(C(=N1)CSCC2=NN(S)CN2c3ccccc3)c4ccccc4,SN1CN(C(=N1)CSCC2=NN(S)CN2c3ccccc3)c4ccccc4,"InChI=1/C18H20N6S3/c25-23-13-21(15-7-3-1-4-8-15)17(19-23)11-27-12-18-20-24(26)14-22(18)16-9-5-2-6-10-16/h1-10,25-26H,11-14H2",C18H16N6S3,,,,,,PYVHIVDMGYDSFX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.301,248-747-3,27958-77-6,"3-amino-N,N-dimethylbenzylamine",3-[(dimethylamino)methyl]aniline,CN(C)Cc1cccc(N)c1,CN(C)Cc1cccc(N)c1,"InChI=1/C9H14N2/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7,10H2,1-2H3",C9H14N2,,,,,,WOJBIBHVUSZAGS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.312,248-759-9,27985-70-2,(1-methylheptyl)phenol,2-(1-methylheptyl)phenol,CCCCCCC(C)c1ccccc1O,CCCCCCC(C)c1ccccc1O,"InChI=1/C14H22O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3",C14H22O,,,,,,YENLEHMSMBFUTB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.001,246-218-1,24391-19-3,Calcium phenylphosphonate,calcium phenylphosphonate,[Ca+2].[O-]P(=O)([O-])c1ccccc1,[Ca+2].[O-]P(=O)([O-])c1ccccc1,"InChI=1/C6H7O3P.Ca/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);/q;+2/p-2",C6H7O3P.Ca,,,,,,SSTALXWJLKACQG-UHFFFAOYSA-L,,,,,,,,,,,
100.042.008,246-226-5,24401-39-6,2-methyl-2-phenylpent-4-enal,2-methyl-2-phenylpent-4-enal,CC(CC=C)(C=O)c1ccccc1,CC(CC=C)(C=O)c1ccccc1,"InChI=1/C12H14O/c1-3-9-12(2,10-13)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3",C12H14O,,,,,,OORUKFHUHFCMAP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.009,246-227-0,24402-46-8,"Disodium 4-hydroxynaphthalene-2,6-disulphonate","disodium 4-hydroxynaphthalene-2,6-disulfonate",[Na+].[Na+].Oc1cc(cc2ccc(cc12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2ccc(cc12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)3-6-1-2-7(4-9(6)10)18(12,13)14;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2Na,,,,,,RLZVCSMLCVGDHP-UHFFFAOYSA-L,,,,,,,,,,,
100.042.012,246-230-7,24404-97-5,L-arginine monocitrate,"L-arginine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C6H14N4O2.C6H8O7/c7-4(5(11)12)2-1-3-10-6(8)9;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H14N4O2.C6H8O7,,,,,,SGJSPXDVZJIWEO-WCCKRBBISA-N,,,,,,,,,,,
100.042.015,246-233-3,24410-52-4,"5,6-dimethylbenzofuran","5,6-dimethyl-1-benzofuran",Cc1cc2occc2cc1C,Cc1cc2occc2cc1C,"InChI=1/C10H10O/c1-7-5-9-3-4-11-10(9)6-8(7)2/h3-6H,1-2H3",C10H10O,,,,,,WPTWOMTZGUIVFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.016,246-234-9,24411-12-9,Ammonium iron tetrachloride,ammonium iron tetrachloride,[NH4+].Cl[Fe-](Cl)(Cl)Cl,[NH4+].Cl[Fe-](Cl)(Cl)Cl,"InChI=1/4ClH.Fe.H3N/h4*1H;;1H3/q;;;;+4;/p-3/rCl4Fe.H3N/c1-5(2,3)4;/h;1H3/p+1",Cl4Fe.H4N,,,,,,QLGCEAZZWDUTTM-UHFFFAOYSA-K,,,,,,,,,,,
100.017.169,218-884-3,2273-76-9,Adenylyl-(2'<U+2192>5')-adenosine,-,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC4C(O)C(CO)OC4n5cnc6c(N)ncnc56)C(O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC4C(O)C(CO)OC4n5cnc6c(N)ncnc56)C(O)C3O,"InChI=1/C20H25N10O10P/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(34)11(32)8(39-19)2-37-41(35,36)40-14-12(33)7(1-31)38-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H2,21,23,25)(H2,22,24,26)",C20H25N10O10P,,,,,,CJUIKAWANGRMQE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.172,218-888-5,2274-42-2,Mesylacetonitrile,(methylsulfonyl)acetonitrile,CS(=O)(=O)CC#N,CS(=O)(=O)CC#N,"InChI=1/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3",C3H5NO2S,,,,,,FOTRKCAZUSJCQD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.176,218-892-7,2275-14-1,Phenkapton,"S-{[(2,5-dichlorophenyl)sulfanyl]methyl} O,O-diethyl dithiophosphate",CCOP(=S)(OCC)SCSc1cc(Cl)ccc1Cl,CCOP(=S)(OCC)SCSc1cc(Cl)ccc1Cl,"InChI=1/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3",C11H15Cl2O2PS3,,,,,,GGNLTHFTYNDYNK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.177,218-893-2,2275-18-5,Prothoate,"O,O-diethyl S-[2-(isopropylamino)-2-oxoethyl] dithiophosphate",CCOP(=S)(OCC)SCC(=O)NC(C)C,CCOP(=S)(OCC)SCC(=O)NC(C)C,"InChI=1/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)",C9H20NO3PS2,,,,,,QTXHFDHVLBDJIO-UHFFFAOYSA-N,,,,,,,,,,,
100.021.843,224-026-9,4168-79-0,"2,2,6,6-tetramethyl-4-piperidone oxime","2,2,6,6-tetramethylpiperidin-4-one oxime",CC1(C)CC(=NO)CC(C)(C)N1,CC1(C)CC(=NO)CC(C)(C)N1,"InChI=1/C9H18N2O/c1-8(2)5-7(10-12)6-9(3,4)11-8/h11-12H,5-6H2,1-4H3",C9H18N2O,,,,,,FFUVOHCLAIYVTL-UHFFFAOYSA-N,,,,,,,,,,,
100.021.856,224-041-0,4175-38-6,"N,N'-dicyclohexyl-p-phenylenediamine","N,N'-dicyclohexylbenzene-1,4-diamine",C1CCC(CC1)Nc2ccc(NC3CCCCC3)cc2,C1CCC(CC1)Nc2ccc(NC3CCCCC3)cc2,"InChI=1/C18H28N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h11-16,19-20H,1-10H2",C18H28N2,,,,,,AIMXDOGPMWDCDF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.864,224-049-4,4179-38-8,2-octylfuran,2-octylfuran,CCCCCCCCc1occc1,CCCCCCCCc1occc1,"InChI=1/C12H20O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h8,10-11H,2-7,9H2,1H3",C12H20O,,,,,,RADIRWIUSSENFC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.867,224-053-6,4180-26-1,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl acrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl acrylate",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C12H6F16O2/c1-2-4(29)30-3-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h2,5H,1,3H2",C12H6F16O2,,,,,,QXDKTLFTMZTCKT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.871,224-057-8,4182-80-3,"N,N,N',N'-tetrakis[4-(dibutylamino)phenyl]benzene-1,4-diamine","N-(4-{bis[4-(dibutylamino)phenyl]amino}phenyl)-N',N'-dibutyl-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine",CCCCN(CCCC)c1ccc(cc1)N(c2ccc(cc2)N(CCCC)CCCC)c3ccc(cc3)N(c4ccc(cc4)N(CCCC)CCCC)c5ccc(cc5)N(CCCC)CCCC,CCCCN(CCCC)c1ccc(cc1)N(c2ccc(cc2)N(CCCC)CCCC)c3ccc(cc3)N(c4ccc(cc4)N(CCCC)CCCC)c5ccc(cc5)N(CCCC)CCCC,"InChI=1/C62H92N6/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8/h25-44H,9-24,45-52H2,1-8H3",C62H92N6,,,,,,GVNSFLFOZIYBPH-UHFFFAOYSA-N,,,,,,,,,,,
100.016.754,218-428-3,2150-47-2,"Methyl 2,4-dihydroxybenzoate","methyl 2,4-dihydroxybenzoate",COC(=O)c1ccc(O)cc1O,COC(=O)c1ccc(O)cc1O,"InChI=1/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3",C8H8O4,,,,,,IIFCLXHRIYTHPV-UHFFFAOYSA-N,,,,,,,,,,,
100.016.756,218-430-4,2150-52-9,"1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one","1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one",Oc2ccccc2C=CC(=O)C=Cc1ccccc1O,Oc2ccccc2C=CC(=O)C=Cc1ccccc1O,"InChI=1/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H",C17H14O3,,,,,,YNVAHBUBGBLIEY-UHFFFAOYSA-N,,,,,,,,,,,
100.016.758,218-433-0,2150-55-2,"2-amino-4,5-dihydrothiazole-4-carboxylic acid","2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid",NC1=NC(CS1)C(=O)O,NC1=NC(CS1)C(=O)O,"InChI=1/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)",C4H6N2O2S,,,,,,VHPXSBIFWDAFMB-UHFFFAOYSA-N,,,,,,,,,,,
100.016.765,218-440-9,2152-56-9,Arabinitol,D-threo-pentitol,OC[C@@H](O)C(O)[C@H](O)CO,OC[C@@H](O)C(O)[C@H](O)CO,"InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2",C5H12O5,,,,,,HEBKCHPVOIAQTA-QWWZWVQMSA-N,,,,,,,,,,,
100.020.597,222-656-9,3567-66-6,"Disodium 5-amino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate","disodium 5-amino-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(N)c3c(c1)cc(c(N=Nc2ccccc2)c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(N)c3c(c1)cc(c(N=Nc2ccccc2)c3O)S([O-])(=O)=O,"InChI=1/C16H13N3O7S2.2Na/c17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10;;/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C16H13N3O7S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17285,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.597,LQJVOKWHGUAUHK-UHFFFAOYSA-L,,,,,,,,,,,
100.020.599,222-659-5,3567-82-6,"a-(aminomethyl)-3,4-dichlorobenzyl alcohol","2-amino-1-(3,4-dichlorophenyl)ethanol",NCC(O)c1ccc(Cl)c(Cl)c1,NCC(O)c1ccc(Cl)c(Cl)c1,"InChI=1/C8H9Cl2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,12H,4,11H2",C8H9Cl2NO,,,,,,KAFHLYIMFOUYGL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.369,244-422-5,21528-13-2,"2,5-diethoxy-4-(morpholin-4-yl)benzenediazonium","2,5-diethoxy-4-morpholin-4-ylbenzenediazonium",CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N,CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N,"InChI=1/C14H20N3O3/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15/h9-10H,3-8H2,1-2H3/q+1",C14H20N3O3,,,,,,HRWJUSVKPYSOSI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.372,244-425-1,21532-74-1,"1,10-phenanthroline perchlorate","1,10-phenanthroline perchlorate",OCl(=O)(=O)=O.c1cnc2c(c1)ccc3cccnc23,OCl(=O)(=O)=O.c1cnc2c(c1)ccc3cccnc23,"InChI=1/C12H8N2.ClHO4/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3,4)5/h1-8H;(H,2,3,4,5)",C12H8N2.ClHO4,,,,,,YWCGYBWTNQEUGU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.000,246-217-6,24390-15-6,"D-glucitol, compound with iron(3+) citrate","iron(3+) 2-hydroxypropane-1,2,3-tricarboxylate D-glucitol (1:1)",[Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.C6H14O6.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-3(9)5(11)6(12)4(10)2-8;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-12H,1-2H2;/q;;+3/p-3",C6H14O6.C6H8O7.xFe,,,,,,WNDUPUMWHYAJOR-SADXPQEKSA-K,,,,,,,,,,,
100.042.006,246-223-9,24398-88-7,Ethyl 3-bromobenzoate,ethyl 3-bromobenzoate,CCOC(=O)c1cccc(Br)c1,CCOC(=O)c1cccc(Br)c1,"InChI=1/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",C9H9BrO2,,,,,,QAUASTLEZAPQTB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.013,246-231-2,24407-09-8,"4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl acrylate","4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl acrylate",OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C15H9F19O3/c1-2-6(36)37-4-5(35)3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h2,5,35H,1,3-4H2",C15H9F19O3,,,,,,VAHMONSDBBIGFL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.014,246-232-8,24407-32-7,"3,4,5,6-tetrabromophthalimide","4,5,6,7-tetrabromo-1H-isoindole-1,3(2H)-dione",Brc1c(Br)c(Br)c2C(=O)NC(=O)c2c1Br,Brc1c(Br)c(Br)c2C(=O)NC(=O)c2c1Br,"InChI=1/C8HBr4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)",C8HBr4NO2,,,,,,QRFTXHFUNIFHST-UHFFFAOYSA-N,,,,,,,,,,,
100.042.017,246-235-4,24413-04-5,4-(chloromethyl)phenyltrimethoxysilane,[4-(chloromethyl)phenyl](trimethoxy)silane,CO[Si](OC)(OC)c1ccc(CCl)cc1,CO[Si](OC)(OC)c1ccc(CCl)cc1,"InChI=1/C10H15ClO3Si/c1-12-15(13-2,14-3)10-6-4-9(8-11)5-7-10/h4-7H,8H2,1-3H3",C10H15ClO3Si,,,,,,ZXOFHTCCTUEJQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.020,246-239-6,24423-98-1,1-chloro-3-hydroxyacetone,1-chloro-3-hydroxyacetone,OCC(=O)CCl,OCC(=O)CCl,"InChI=1/C3H5ClO2/c4-1-3(6)2-5/h5H,1-2H2",C3H5ClO2,,,,,,JWZYQAITGQPZNM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.022,246-241-7,24425-40-9,Indan-5-amine,indan-5-amine,Nc1ccc2CCCc2c1,Nc1ccc2CCCc2c1,"InChI=1/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2",C9H11N,,,,,,LEWZOBYWGWKNCK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.025,246-244-3,24429-25-2,"3,5,5-trimethylhexyl hydrogen maleate","4-oxo-4-[(3,5,5-trimethylhexyl)oxy]but-2-enoic acid",CC(CCOC(=O)\\C=C/C(=O)O)CC(C)(C)C,CC(CCOC(=O)\C=C/C(=O)O)CC(C)(C)C,"InChI=1/C13H22O4/c1-10(9-13(2,3)4)7-8-17-12(16)6-5-11(14)15/h5-6,10H,7-9H2,1-4H3,(H,14,15)",C13H22O4,,,,,,NJAFJJJFZZALPC-WAYWQWQTSA-N,,,,,,,,,,,
100.042.031,246-251-1,24447-63-0,Didodecylammonium bromide,N-dodecyldodecan-1-aminium bromide,[Br-].CCCCCCCCCCCC[NH2+]CCCCCCCCCCCC,[Br-].CCCCCCCCCCCC[NH2+]CCCCCCCCCCCC,"InChI=1/C24H51N.BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3;1H",C24H51N.BrH,,,,,,UNAFTICPPXVTTN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.999,248-414-2,27336-23-8,"1,1-dibromo-1,2,2,2-tetrafluoroethane","1,1-dibromo-1,2,2,2-tetrafluoroethane",FC(F)(F)C(F)(Br)Br,FC(F)(F)C(F)(Br)Br,"InChI=1/C2Br2F4/c3-1(4,5)2(6,7)8",C2Br2F4,,,,,,JLGADZLAECENGR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.750,250-341-6,30796-92-0,"Phenanthro[4,5-bcd]thiophene","phenanthro[4,5-bcd]thiophene",c1cc2ccc3cccc4sc(c1)c2c34,c1cc2ccc3cccc4sc(c1)c2c34,InChI=1/C14H8S/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-8H,C14H8S,,,,,,VFUBXBLVICASPS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.752,250-343-7,30804-44-5,N-acetyl-2-(3-methoxyphenyl)neuraminic acid,"4-methoxyphenyl 5-acetamido-3,5-dideoxynon-2-ulopyranosidonic acid",COc1ccc(OC2(CC(O)C(NC(=O)C)C(O2)C(O)C(O)CO)C(=O)O)cc1,COc1ccc(OC2(CC(O)C(NC(=O)C)C(O2)C(O)C(O)CO)C(=O)O)cc1,"InChI=1/C18H25NO10/c1-9(21)19-14-12(22)7-18(17(25)26,29-16(14)15(24)13(23)8-20)28-11-5-3-10(27-2)4-6-11/h3-6,12-16,20,22-24H,7-8H2,1-2H3,(H,19,21)(H,25,26)",C18H25NO10,,,,,,YOXSIQUWTMPLFS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.761,250-353-1,30843-83-5,"5,5'(thiodipropane-3,1-diyl)bis[2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione]","5,5'-(sulfanediyldipropane-3,1-diyl)bis(4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione)",S=C1NN=C(CCCSCCCC2=NNC(=S)N2c3ccccc3)N1c4ccccc4,S=C1NN=C(CCCSCCCC2=NNC(=S)N2c3ccccc3)N1c4ccccc4,"InChI=1/C22H24N6S3/c29-21-25-23-19(27(21)17-9-3-1-4-10-17)13-7-15-31-16-8-14-20-24-26-22(30)28(20)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,25,29)(H,26,30)",C22H24N6S3,,,,,,RFBFWVSTNUOTMX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.582,250-156-0,30370-87-7,"3-(arabinosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl pentofuranoside",OCC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)C1O,OCC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)C1O,"InChI=1/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2",C20H18O11,,,,,,BDCDNTVZSILEOY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.584,250-158-1,30377-37-8,"6-amino-1H-purine-2,8(3H,7H)-dione","6-amino-1H-purine-2,8(3H,7H)-dione",NC1=C2NC(=O)N=C2NC(=O)N1,NC1=C2NC(=O)N=C2NC(=O)N1,"InChI=1/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12)",C5H5N5O2,,,,,,XFBOJHLYDJZYSP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.587,250-161-8,30377-63-0,"N-ethyl-4-(trifluoromethyl)benzene-1,2-diamine","N~1~-ethyl-4-(trifluoromethyl)benzene-1,2-diamine",CCNc1ccc(cc1N)C(F)(F)F,CCNc1ccc(cc1N)C(F)(F)F,"InChI=1/C9H11F3N2/c1-2-14-8-4-3-6(5-7(8)13)9(10,11)12/h3-5,14H,2,13H2,1H3",C9H11F3N2,,,,,,MOQFNDFDNBIIHW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.597,250-172-8,30389-18-5,1-ethynylcyclohexylamine,1-ethynylcyclohexanamine,NC1(CCCCC1)C#C,NC1(CCCCC1)C#C,"InChI=1/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2",C8H13N,,,,,,GDKOYYDQISQOMH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.602,250-178-0,30399-84-9,Isooctadecanoic acid,16-methylheptadecanoic acid,CC(C)CCCCCCCCCCCCCCC(=O)O,CC(C)CCCCCCCCCCCCCCC(=O)O,"InChI=1/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)",C18H36O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13713,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.602,XDOFQFKRPWOURC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.697,246-983-1,25443-63-4,Tripotassium hexachlororuthenate,-,[K+].[K+].[K+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].[K+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.3K.Ru/h6*1H;;;;/q;;;;;;3*+1;+6/p-6/rCl6Ru.3K/c1-7(2,3,4,5)6;;;/q;3*+1",Cl6Ru.3K,,,,,,BJYKSOXSXJVMTE-UHFFFAOYSA-H,,,,,,,,,,,
100.042.703,246-989-4,25446-93-9,"Decyl hydrogen sulphate, magnesium salt",-,[Mg+2].CCCCCCCCCCOS(=O)(=O)O,[Mg+2].CCCCCCCCCCOS(=O)(=O)O,"InChI=1/C10H22O4S.Mg/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+2",C10H22O4S.1/2Mg,,,,,,IVEPMFJUTQZQME-UHFFFAOYSA-N,,,,,,,,,,,
100.042.705,246-992-0,25447-65-8,Dihydroergocornine,"12'-hydroxy-2',5'-diisopropyl-3',6',18-trioxo-9,10-dihydroergotaman",CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,"InChI=1/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)",C31H41N5O5,,,,,,SEALOBQTUQIVGU-QNIJNHAOSA-N,,,,,,,,,,,
100.042.713,247-000-9,25450-89-9,"2-sec-butyl-2-ethylpropane-1,3-diol","2-sec-butyl-2-ethylpropane-1,3-diol",CCC(C)C(CC)(CO)CO,CCC(C)C(CC)(CO)CO,"InChI=1/C9H20O2/c1-4-8(3)9(5-2,6-10)7-11/h8,10-11H,4-7H2,1-3H3",C9H20O2,,,,,,FAPQAMNNSKCDTL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.714,247-001-4,25451-15-4,"2-phenylpropane-1,3-diyl dicarbamate","2-phenylpropane-1,3-diyl dicarbamate",NC(=O)OCC(COC(=O)N)c1ccccc1,NC(=O)OCC(COC(=O)N)c1ccccc1,"InChI=1/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)",C11H14N2O4,,,,,,WKGXYQFOCVYPAC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.718,247-006-1,25458-34-8,Potassium 1-carboxylatoethyl stearate,potassium 2-(stearoyloxy)propanoate,[K+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-],[K+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-],"InChI=1/C21H40O4.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h19H,3-18H2,1-2H3,(H,23,24);/q;+1/p-1",C21H40O4.K,,,,,,JDXZPUZDKPMSAI-UHFFFAOYSA-M,,,,,,,,,,,
100.042.725,247-014-5,25470-94-4,"2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium iodide","1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3H-indolium iodide",[I-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C,[I-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C25H29N2.HI/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1",C25H29N2.I,,,,,,ZGBJQZCIUVDAHE-UHFFFAOYSA-M,,,,,,,,,,,
100.042.727,247-016-6,25474-61-7,Tridecan-1-yl benzenesulphonate,tridecyl benzenesulfonate,CCCCCCCCCCCCCOS(=O)(=O)c1ccccc1,CCCCCCCCCCCCCOS(=O)(=O)c1ccccc1,"InChI=1/C19H32O3S/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-23(20,21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3",C19H32O3S,,,,,,KRTNITDCKAVIFI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.732,247-021-3,25485-34-1,"Cholesta-4,6-dien-3ß-yl benzoate","cholesta-4,6-dien-3-yl benzoate",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5,"InChI=1/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,22-24,27-31H,9-11,16-21H2,1-5H3",C34H48O2,,,,,,KJRLFFDMSLSIGS-LLHZKFLPSA-N,,,,,,,,,,,
100.042.019,246-238-0,24421-05-4,Tetrahydro-1-methyl-1H-pyrimidine-2-thione,1-methyltetrahydropyrimidine-2(1H)-thione,CN1CCCNC1=S,CN1CCCNC1=S,"InChI=1/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)",C5H10N2S,,,,,,KWRGMBARTDLYSH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.023,246-242-2,24426-16-2,"N'-(2-aminoethyl)-N,N-diethylethylenediamine","N'-(2-aminoethyl)-N,N-diethylethane-1,2-diamine",CCN(CC)CCNCCN,CCN(CC)CCNCCN,"InChI=1/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3",C8H21N3,,,,,,CEFDTSBDWYXVHY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.024,246-243-8,24426-40-2,(ethylamino)acetonitrile,(ethylamino)acetonitrile,CCNCC#N,CCNCC#N,"InChI=1/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3",C4H8N2,,,,,,VXAOLDZFARINGE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.030,246-250-6,24442-68-0,"3,3,5-trimethylcyclohexyl formate","3,3,5-trimethylcyclohexyl formate",CC1CC(CC(C)(C)C1)OC=O,CC1CC(CC(C)(C)C1)OC=O,"InChI=1/C10H18O2/c1-8-4-9(12-7-11)6-10(2,3)5-8/h7-9H,4-6H2,1-3H3",C10H18O2,,,,,,MTZUWXFUKUHVMV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.034,246-254-8,24447-83-4,"1,1'-[(phenylimino)diethylene]dipyridinium dichloride","1,1'-[(phenylimino)diethane-2,1-diyl]dipyridinium dichloride",[Cl-].[Cl-].C(C[n+]1ccccc1)N(CC[n+]2ccccc2)c3ccccc3,[Cl-].[Cl-].C(C[n+]1ccccc1)N(CC[n+]2ccccc2)c3ccccc3,"InChI=1/C20H23N3.2ClH/c1-4-10-20(11-5-1)23(18-16-21-12-6-2-7-13-21)19-17-22-14-8-3-9-15-22;;/h1-15H,16-19H2;2*1H/q+2;;/p-2",C20H23N3.2Cl,,,,,,XTXUAGNSSCJYIN-UHFFFAOYSA-L,,,,,,,,,,,
100.043.995,248-410-0,27326-17-6,"2-[2-(3,4-dihydro-6-methoxy-1(2H)-quinolyl)vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-[2-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride",[Cl-].COc1ccc2N(CCCc2c1)\\C=C\\C3=[N+](C)c4ccccc4C3(C)C,[Cl-].COc1ccc2N(CCCc2c1)\C=C\C3=[N+](C)c4ccccc4C3(C)C,"InChI=1/C23H27N2O.ClH/c1-23(2)19-9-5-6-10-21(19)24(3)22(23)13-15-25-14-7-8-17-16-18(26-4)11-12-20(17)25;/h5-6,9-13,15-16H,7-8,14H2,1-4H3;1H/q+1;/p-1",C23H27N2O.Cl,,,,,,XXMSBXHSVOHTIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.753,250-344-2,30806-83-8,Ethyl 4-isocyanatobenzoate,ethyl 4-isocyanatobenzoate,CCOC(=O)c1ccc(cc1)N=C=O,CCOC(=O)c1ccc(cc1)N=C=O,"InChI=1/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3",C10H9NO3,,,,,,CFEPCPHKICBCJV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.756,250-347-9,30818-17-8,"2,4-dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one","2-(4-nitrophenyl)-5-pyrrolidin-1-yl-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c1ccc(cc1)N2N=C(CC2=O)N3CCCC3,[O-][N+](=O)c1ccc(cc1)N2N=C(CC2=O)N3CCCC3,"InChI=1/C13H14N4O3/c18-13-9-12(15-7-1-2-8-15)14-16(13)10-3-5-11(6-4-10)17(19)20/h3-6H,1-2,7-9H2",C13H14N4O3,,,,,,GMXRVALYFNKUTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.769,250-362-0,30860-66-3,2-[(tributylstannyl)thio]pyridine 1-oxide,2-[(tributylstannyl)sulfanyl]pyridine 1-oxide,CCCC[Sn](CCCC)(CCCC)Sc1cccc[n+]1[O-],CCCC[Sn](CCCC)(CCCC)Sc1cccc[n+]1[O-],"InChI=1/C5H5NOS.3C4H9.Sn/c7-6-4-2-1-3-5(6)8;3*1-3-4-2;/h1-4,8H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC17H31NOSSn/c1-4-7-14-21(15-8-5-2,16-9-6-3)20-17-12-10-11-13-18(17)19/h10-13H,4-9,14-16H2,1-3H3",C17H31NOSSn,,,,,,IZLTYRKHPKGVOT-UHFFFAOYSA-M,,,,,,,,,,,
100.045.772,250-365-7,30862-35-2,(2-hydroxyethyl)ammonium octyl sulphate,2-hydroxyethanaminium octyl sulfate,CCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,CCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C8H18O4S.C2H7NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;3-1-2-4/h2-8H2,1H3,(H,9,10,11);4H,1-3H2",C8H18O4S.C2H7NO,,,,,,IEHXRVXDZGSPOC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.779,250-373-0,30892-74-1,S-[[(2-carboxy-2-hydroxyethyl)sulphonyl]methyl]-L-cysteine,N-{[(2-carboxy-2-hydroxyethyl)sulfonyl]methyl}-L-cysteine,OC(CS(=O)(=O)CN[C@@H](CS)C(=O)O)C(=O)O,OC(CS(=O)(=O)CN[C@@H](CS)C(=O)O)C(=O)O,"InChI=1/C7H13NO7S2/c9-5(7(12)13)2-17(14,15)3-8-4(1-16)6(10)11/h4-5,8-9,16H,1-3H2,(H,10,11)(H,12,13)",C7H13NO7S2,,,,,,SNNWXMAKMCLWQR-ROLXFIACSA-N,,,,,,,,,,,
100.045.782,250-376-7,30897-75-7,"6,6-dimethylbicyclo[3.1.1]hept-2-en-2-acetaldehyde","(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)acetaldehyde",CC1(C)C2CC=C(CC=O)C1C2,CC1(C)C2CC=C(CC=O)C1C2,"InChI=1/C11H16O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,6,9-10H,4-5,7H2,1-2H3",C11H16O,,,,,,BLKPFVWYBFDTPX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.787,250-381-4,30901-67-8,1-(dodecylbenzyl)pyridinium chloride,1-(2-dodecylbenzyl)pyridinium chloride,[Cl-].CCCCCCCCCCCCc1ccccc1C[n+]2ccccc2,[Cl-].CCCCCCCCCCCCc1ccccc1C[n+]2ccccc2,"InChI=1/C24H36N.ClH/c1-2-3-4-5-6-7-8-9-10-12-17-23-18-13-14-19-24(23)22-25-20-15-11-16-21-25;/h11,13-16,18-21H,2-10,12,17,22H2,1H3;1H/q+1;/p-1",C24H36N.Cl,,,,,,RZOHTMUSTQPAEP-UHFFFAOYSA-M,,,,,,,,,,,
100.040.695,244-780-2,22101-87-7,a-[1-(aminomethyl)propyl]benzhydryl alcohol,"2-(aminomethyl)-1,1-diphenylbutan-1-ol",CCC(CN)C(O)(c1ccccc1)c2ccccc2,CCC(CN)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C17H21NO/c1-2-14(13-18)17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,19H,2,13,18H2,1H3",C17H21NO,,,,,,GFNWHHPVGUTUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.696,244-781-8,22103-14-6,Bufeniode,"4-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]propyl}-2,6-diiodophenol",CC(CCc1ccccc1)NC(C)C(O)c2cc(I)c(O)c(I)c2,CC(CCc1ccccc1)NC(C)C(O)c2cc(I)c(O)c(I)c2,"InChI=1/C19H23I2NO2/c1-12(8-9-14-6-4-3-5-7-14)22-13(2)18(23)15-10-16(20)19(24)17(21)11-15/h3-7,10-13,18,22-24H,8-9H2,1-2H3",C19H23I2NO2,,,,,,RFIXURDMUINBMD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.601,222-661-6,3568-23-8,Propiomazine hydrogen maleate,1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one but-2-enedioate,OC(=O)C=CC(O)=O.CCC(=O)c1cc2N(CC(C)N(C)C)c3ccccc3Sc2cc1,OC(=O)C=CC(O)=O.CCC(=O)c1cc2N(CC(C)N(C)C)c3ccccc3Sc2cc1,"InChI=1/C20H24N2OS.C4H4O4/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20;5-3(6)1-2-4(7)8/h6-12,14H,5,13H2,1-4H3;1-2H,(H,5,6)(H,7,8)",C20H24N2OS.C4H4O4,,,,,,ILEKKZUHFYUQIE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.614,222-675-2,3571-26-4,Methyl 2-[[(8-hydroxy-7-quinolyl)phenylmethyl]amino]benzoate,methyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate,COC(=O)c1ccccc1NC(c2ccccc2)c3ccc4cccnc4c3O,COC(=O)c1ccccc1NC(c2ccccc2)c3ccc4cccnc4c3O,"InChI=1/C24H20N2O3/c1-29-24(28)18-11-5-6-12-20(18)26-21(16-8-3-2-4-9-16)19-14-13-17-10-7-15-25-22(17)23(19)27/h2-15,21,26-27H,1H3",C24H20N2O3,,,,,,ZPJOAKSLQZOQOG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.620,222-682-0,3/06/3572,4-(3-oxobutyl)phenyl acetate,4-(3-oxobutyl)phenyl acetate,CC(=O)CCc1ccc(OC(=O)C)cc1,CC(=O)CCc1ccc(OC(=O)C)cc1,"InChI=1/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3",C12H14O3,,,,,,UMIKWXDGXDJQJK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.622,222-684-1,3572-43-8,Bromhexine,"2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline",CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2,CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2,"InChI=1/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3",C14H20Br2N2,,,,,,OJGDCBLYJGHCIH-UHFFFAOYSA-N,Positive,AU117302|AU117303|AU117304|AU117305,[M+H]+,CID20|CID30|CID40|CID50,263.8751:261.8769:376.9928|263.8752:261.8773:114.1262|263.8752:261.8763:182.9585|263.8745:261.8776:182.9583,Athens_Univ,,,,,
100.021.500,223-648-8,4000-72-0,1-(aminomethyl)cyclohexan-1-ol,1-(aminomethyl)cyclohexanol,NCC1(O)CCCCC1,NCC1(O)CCCCC1,"InChI=1/C7H15NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-6,8H2",C7H15NO,,,,,,XUSXTHMTOSFZII-UHFFFAOYSA-N,,,,,,,,,,,
100.021.501,223-649-3,4001-61-0,"2,5-dimethylbenzenethiol","2,5-dimethylbenzenethiol",Cc1ccc(C)c(S)c1,Cc1ccc(C)c(S)c1,"InChI=1/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3",C8H10S,,,,,,NHAUBUMQRJWWAT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.507,223-656-1,4004-97-1,1-(4-fluorophenyl)-4-(p-tolylsulphonyl)piperazine,1-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]piperazine,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccc(F)cc3,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccc(F)cc3,"InChI=1/C17H19FN2O2S/c1-14-2-8-17(9-3-14)23(21,22)20-12-10-19(11-13-20)16-6-4-15(18)5-7-16/h2-9H,10-13H2,1H3",C17H19FN2O2S,,,,,,CIGSCDLAXLXDQV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.511,223-660-3,4006-73-9,1-benzylcycloheptan-1-ol,1-benzylcycloheptanol,OC1(Cc2ccccc2)CCCCCC1,OC1(Cc2ccccc2)CCCCCC1,"InChI=1/C14H20O/c15-14(10-6-1-2-7-11-14)12-13-8-4-3-5-9-13/h3-5,8-9,15H,1-2,6-7,10-12H2",C14H20O,,,,,,RTRTUCOUELDWEX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.512,223-661-9,4008-41-7,"2-(8-heptadecenyl)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]-4,5-dihydro-1H-imidazole-1-ethylamine","2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)-N-[2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethanamine",CCCCCCCCC=CCCCCCCCC1=NCCN1CCNCCN2CCN=C2CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC1=NCCN1CCNCCN2CCN=C2CCCCCCCC=CCCCCCCCC,"InChI=1/C44H83N5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-46-37-41-48(43)39-35-45-36-40-49-42-38-47-44(49)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45H,3-16,21-42H2,1-2H3",C44H83N5,,,,,,SHYGBSBJZGNMJT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.513,223-662-4,4008-48-4,Nitroxoline,5-nitroquinolin-8-ol,Oc1ccc(c2cccnc12)[N+](=O)[O-],Oc1ccc(c2cccnc12)[N+](=O)[O-],"InChI=1/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H",C9H6N2O3,,,,,,RJIWZDNTCBHXAL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.133,222-145-0,3370-27-2,m-di-tert-pentylbenzene,"1,3-bis(1,1-dimethylpropyl)benzene",CCC(C)(C)c1cccc(c1)C(C)(C)CC,CCC(C)(C)c1cccc(c1)C(C)(C)CC,"InChI=1/C16H26/c1-7-15(3,4)13-10-9-11-14(12-13)16(5,6)8-2/h9-12H,7-8H2,1-6H3",C16H26,,,,,,VMFPJVIZINYTRD-UHFFFAOYSA-N,,,,,,,,,,,
100.020.136,222-148-7,3371-33-3,"1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide","1-(3,5-dihydroxyphenyl)-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethanone hydrobromide",Br.CC(Cc1ccc(O)cc1)NCC(=O)c2cc(O)cc(O)c2,Br.CC(Cc1ccc(O)cc1)NCC(=O)c2cc(O)cc(O)c2,"InChI=1/C17H19NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,18-21H,6,10H2,1H3;1H",C17H19NO4.BrH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16964,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.136,JDHLKARRBHHTQB-UHFFFAOYSA-N,,,,,,,,,,,
100.020.146,222-159-7,8/05/3374,"Sodium 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate","sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate",[Na+].CCN1C=C(C(=O)[O-])C(=O)c2ccc(C)nc12,[Na+].CCN1C=C(C(=O)[O-])C(=O)c2ccc(C)nc12,"InChI=1/C12H12N2O3.Na/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;/h4-6H,3H2,1-2H3,(H,16,17);/q;+1/p-1",C12H12N2O3.Na,,,,,,ROKRAUFZFDQWLE-UHFFFAOYSA-M,,,,,,,,,,,
100.020.147,222-160-2,3374-22-9,DL-cysteine,cysteine,NC(CS)C(=O)O,NC(CS)C(=O)O,"InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)",C3H7NO2S,,,,,,XUJNEKJLAYXESH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.150,222-163-9,3375-25-5,"9-(2-carboxylatophenyl)-3,6-bis(diethylamino)xanthylium","2-[3,6-bis(diethylamino)xanthenium-9-yl]benzoate",CCN(CC)c1ccc2c(c3ccccc3C(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC,CCN(CC)c1ccc2c(c3ccccc3C(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC,"InChI=1/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3",C28H30N2O3,,,,,,AIACAYCHAWRZPM-UHFFFAOYSA-M,,,,,,,,,,,
100.045.762,250-354-7,30845-78-4,"Potassium 9,10-dihydro-9,10-dioxoanthracene-1-sulphonate","potassium 9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8O5S.K/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;/h1-7H,(H,17,18,19);/q;+1/p-1",C14H8O5S.K,,,,,,BMAWOUMCJNTMPB-UHFFFAOYSA-M,,,,,,,,,,,
100.045.763,250-355-2,30845-79-5,"Sodium 5-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 5-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1cccc2C(=O)c3cc(ccc3C(=O)c12)S(=O)(=O)[O-],[Na+].Nc1cccc2C(=O)c3cc(ccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H9NO5S.Na/c15-11-3-1-2-9-12(11)14(17)8-5-4-7(21(18,19)20)6-10(8)13(9)16;/h1-6H,15H2,(H,18,19,20);/q;+1/p-1",C14H9NO5S.Na,,,,,,HLQFHTSTLFRMFL-UHFFFAOYSA-M,,,,,,,,,,,
100.045.765,250-357-3,30849-48-0,Isooctyl hydrogen phthalate,2-{[(6-methylheptyl)oxy]carbonyl}benzoic acid,CC(C)CCCCCOC(=O)c1ccccc1C(=O)O,CC(C)CCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C16H22O4/c1-12(2)8-4-3-7-11-20-16(19)14-10-6-5-9-13(14)15(17)18/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,18)",C16H22O4,,,,,,OKQCINGECXXEQY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.773,250-366-2,30864-28-9,Methyl 3-[(dimethoxyphosphinothioyl)oxy]methacrylate,methyl 3-[(dimethoxyphosphorothioyl)oxy]-2-methylacrylate,COC(=O)\\C(=C\\OP(=S)(OC)OC)\\C,COC(=O)\C(=C\OP(=S)(OC)OC)\C,"InChI=1/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3",C7H13O5PS,,,,,,NTAHCMPOMKHKEU-AATRIKPKSA-N,,,,,,,,,,,
100.045.775,250-368-3,30868-50-9,Magnesium hexafluorozirconate(2-),magnesium hexafluorozirconate(2-),[Mg+2].F[Zr-2](F)(F)(F)(F)F,[Mg+2].F[Zr-2](F)(F)(F)(F)F,"InChI=1/6FH.Mg.Zr/h6*1H;;/q;;;;;;+2;+4/p-6/rF6Zr.Mg/c1-7(2,3,4,5)6;/q-2;+2",F6Zr.Mg,,,,,,WNOUKUPJLOSHGV-UHFFFAOYSA-H,,,,,,,,,,,
100.045.777,250-370-4,30868-55-4,Nickel hexafluorozirconate(2-),nickel(2+) hexafluorozirconate(2-),[Ni+2].F[Zr-2](F)(F)(F)(F)F,[Ni+2].F[Zr-2](F)(F)(F)(F)F,"InChI=1/6FH.Ni.Zr/h6*1H;;/q;;;;;;+2;+4/p-6/rF6Zr.Ni/c1-7(2,3,4,5)6;/q-2;+2",F6Zr.Ni,,,,,,SEDAPJDLQKVYGT-UHFFFAOYSA-H,,,,,,,,,,,
100.045.778,250-372-5,30879-82-4,"Tetrahydro-1,3,5,5-tetramethyl-1H-pyrimidin-2-one","1,3,5,5-tetramethyltetrahydropyrimidin-2(1H)-one",CN1CC(C)(C)CN(C)C1=O,CN1CC(C)(C)CN(C)C1=O,"InChI=1/C8H16N2O/c1-8(2)5-9(3)7(11)10(4)6-8/h5-6H2,1-4H3",C8H16N2O,,,,,,OTEZPAVCBPPFLU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.783,250-377-2,30897-76-8,"2-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene","2-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene",CC1(C)C2CC=C(CCl)C1C2,CC1(C)C2CC=C(CCl)C1C2,"InChI=1/C10H15Cl/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6H2,1-2H3",C10H15Cl,,,,,,HJMBBNXCSKYLPS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.789,250-384-0,30906-38-8,"4-oxo-5-(4,5,6,7-tetrahydro-3-methyl-7-oxobenzothiazol-2(3H)-ylidene)-2-thioxothiazolidin-3-acetic acid","[5-(3-methyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",O=C(O)CN1C(=O)C(SC1=S)=C3S/C2=C(/CCCC2=O)N3C,O=C(O)CN1C(=O)C(SC1=S)=C3S/C2=C(/CCCC2=O)N3C,"InChI=1/C13H12N2O4S3/c1-14-6-3-2-4-7(16)9(6)21-12(14)10-11(19)15(5-8(17)18)13(20)22-10/h2-5H2,1H3,(H,17,18)",C13H12N2O4S3,,,,,,LDIQMRFGJSIDCT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.790,250-385-6,30909-51-4,2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethyl decanoate,2-(4-{3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethyl decanoate,CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(cc23)C(F)(F)F,CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(cc23)C(F)(F)F,"InChI=1/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3",C33H43F3N2O2S,,,,,,UIKWDDSLMBHIFT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.699,244-784-4,22104-80-9,2-decenol,dec-2-en-1-ol,CCCCCCCC=CCO,CCCCCCCC=CCO,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-7,10H2,1H3",C10H20O,,,,,,QOPYYRPCXHTOQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.703,244-789-1,22117-85-7,5-sulphamoyl-o-anisic acid,2-methoxy-5-sulfamoylbenzoic acid,COc1ccc(cc1C(=O)O)S(=O)(=O)N,COc1ccc(cc1C(=O)O)S(=O)(=O)N,"InChI=1/C8H9NO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)",C8H9NO5S,,,,,,SQAILWDRVDGLGY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.705,244-791-2,22118-12-3,2-bromobutyryl chloride,2-bromobutanoyl chloride,CCC(Br)C(=O)Cl,CCC(Br)C(=O)Cl,"InChI=1/C4H6BrClO/c1-2-3(5)4(6)7/h3H,2H2,1H3",C4H6BrClO,,,,,,DROZQELYZZXYSX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.711,244-798-0,22134-07-2,"2,4,6-trichlorophenyl isothiocyanate","1,3,5-trichloro-2-isothiocyanatobenzene",Clc1cc(Cl)c(N=C=S)c(Cl)c1,Clc1cc(Cl)c(N=C=S)c(Cl)c1,InChI=1/C7H2Cl3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H,C7H2Cl3NS,,,,,,DSXVZIOQROMOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.712,244-799-6,22134-75-4,"3,5-dichlorosulphanilamide","4-amino-3,5-dichlorobenzenesulfonamide",Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N,Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N,"InChI=1/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)",C6H6Cl2N2O2S,,,,,,DVZMRTJKNJKEGV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.739,247-029-7,25492-69-7,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonate","sodium 1-amino-4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,"InChI=1/C21H16N2O5S.Na/c1-11-6-8-12(9-7-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1",C21H16N2O5S.Na,,,,,,RHIIBCBXFYNAOU-UHFFFAOYSA-M,,,,,,,,,,,
100.042.742,247-032-3,25493-06-5,Calcium phosphonate,calcium phosphonate,[Ca+2].[O-]P(=O)[O-],[Ca+2].[O-]P(=O)[O-],"InChI=1/Ca.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3)/q+2;/p-2",Ca.xH3O3P,,,,,,OMAAXMJMHFXYFY-UHFFFAOYSA-L,,,,,,,,,,,
100.040.411,244-468-6,21598-06-1,5-hydroxyindole-2-carboxylic acid,5-hydroxy-1H-indole-2-carboxylic acid,OC(=O)c1cc2cc(O)ccc2[nH]1,OC(=O)c1cc2cc(O)ccc2[nH]1,"InChI=1/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)",C9H7NO3,,,,,,BIMHWDJKNOMNLD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.412,244-469-1,21598-22-1,Barium(2+) 12-hydroxyoctadecanoate,barium bis(12-hydroxyoctadecanoate),[Ba+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O3.Ba/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H36O3.1/2Ba,,,,,,LHCFNZQTNGWZED-UHFFFAOYSA-L,,,,,,,,,,,
100.040.416,244-473-3,21614-17-5,"2,4-dichloro-6-(4-ethoxy-1-naphthyl)-s-triazine","2,4-dichloro-6-(4-ethoxy-1-naphthyl)-1,3,5-triazine",CCOc1ccc(c2nc(Cl)nc(Cl)n2)c3ccccc13,CCOc1ccc(c2nc(Cl)nc(Cl)n2)c3ccccc13,"InChI=1/C15H11Cl2N3O/c1-2-21-12-8-7-11(9-5-3-4-6-10(9)12)13-18-14(16)20-15(17)19-13/h3-8H,2H2,1H3",C15H11Cl2N3O,,,,,,NGCDHSYNLYVAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.432,244-491-1,21643-42-5,Tetradecyl acrylate,tetradecyl acrylate,CCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3",C17H32O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5562,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.432,XZHNPVKXBNDGJD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.436,244-495-3,21647-84-7,N-(4-chlorophenyl)-N-methylethylenediamine,"N-(4-chlorophenyl)-N-methylethane-1,2-diamine",CN(CCN)c1ccc(Cl)cc1,CN(CCN)c1ccc(Cl)cc1,"InChI=1/C9H13ClN2/c1-12(7-6-11)9-4-2-8(10)3-5-9/h2-5H,6-7,11H2,1H3",C9H13ClN2,,,,,,NEUAPOAFUOOCQR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.449,244-510-3,21656-45-1,"(Z)-4,5-dihydro-2-(8-heptadecenyl)-1H-imidazole","2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazole",CCCCCCCC\\C=C/CCCCCCCC1=NCCN1,CCCCCCCC\C=C/CCCCCCCC1=NCCN1,"InChI=1/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10H,2-8,11-19H2,1H3,(H,21,22)",C20H38N2,,,,,,VPROSGVVNDHJLC-KTKRTIGZSA-N,,,,,,,,,,,
100.040.451,244-512-4,21661-97-2,(Z)-7-decenal,dec-7-enal,CC\\C=C/CCCCCC=O,CC\C=C/CCCCCC=O,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,10H,2,5-9H2,1H3",C10H18O,,,,,,UZFFFFWQKMPLAC-ARJAWSKDSA-N,,,,,,,,,,,
100.040.454,244-516-6,21662-15-7,"(2E,4Z)-dodeca-2,4-dienal","dodeca-2,4-dienal",CCCCCCC\\C=C/C=C/C=O,CCCCCCC\C=C/C=C/C=O,"InChI=1/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3",C12H20O,,,,,,QKTZBZWNADPFOL-QNRZBPGKSA-N,,,,,,,,,,,
100.040.455,244-517-1,21662-16-8,"(2E,4E)-dodeca-2,4-dienal","dodeca-2,4-dienal",CCCCCCC\\C=C\\C=C\\C=O,CCCCCCC\C=C\C=C\C=O,"InChI=1/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3",C12H20O,,,,,,QKTZBZWNADPFOL-BNFZFUHLSA-N,,,,,,,,,,,
100.044.039,248-458-2,27438-39-7,1-(morpholin-4-ylmethyl)-2-naphthol,1-(morpholin-4-ylmethyl)-2-naphthol,Oc1ccc2ccccc2c1CN3CCOCC3,Oc1ccc2ccccc2c1CN3CCOCC3,"InChI=1/C15H17NO2/c17-15-6-5-12-3-1-2-4-13(12)14(15)11-16-7-9-18-10-8-16/h1-6,17H,7-11H2",C15H17NO2,,,,,,VNKDDFRRCCZWOU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.043,248-462-4,27447-29-6,"5'-[bis(2-cyanoethyl)amino]-2'-[(2,6-dichloro-4-nitrophenyl)azo]acetanilide","N-{5-[bis(2-cyanoethyl)amino]-2-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}acetamide",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1NC(C)=O)N(CCC#N)CCC#N)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1NC(C)=O)N(CCC#N)CCC#N)[N+]([O-])=O,"InChI=1/C20H17Cl2N7O3/c1-13(30)25-19-12-14(28(8-2-6-23)9-3-7-24)4-5-18(19)26-27-20-16(21)10-15(29(31)32)11-17(20)22/h4-5,10-12H,2-3,8-9H2,1H3,(H,25,30)",C20H17Cl2N7O3,,,,,,VRPSNSOURXIFQL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.049,248-469-2,27458-92-0,Isotridecan-1-ol,11-methyldodecan-1-ol,CC(C)CCCCCCCCCCO,CC(C)CCCCCCCCCCO,"InChI=1/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3",C13H28O,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2154,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.049,XUJLWPFSUCHPQL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.052,248-472-9,27464-38-6,"N,N-benzothiazole-2-sulphinamide","N,N-dimethyl-1,3-benzothiazole-2-sulfinamide",CN(C)S(=O)c1nc2ccccc2s1,CN(C)S(=O)c1nc2ccccc2s1,"InChI=1/C9H10N2OS2/c1-11(2)14(12)9-10-7-5-3-4-6-8(7)13-9/h3-6H,1-2H3",C9H10N2OS2,,,,,,FAMTXHDRBMBNAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.053,248-473-4,27464-82-0,"2,5-dimethyl-1,3,4-thiadiazole","2,5-dimethyl-1,3,4-thiadiazole",Cc1nnc(C)s1,Cc1nnc(C)s1,InChI=1/C4H6N2S/c1-3-5-6-4(2)7-3/h1-2H3,C4H6N2S,,,,,,JXQGICFGPUAVLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.698,244-783-9,22104-79-6,Non-2-en-1-ol,non-2-en-1-ol,CCCCCCC=CCO,CCCCCCC=CCO,"InChI=1/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3",C9H18O,,,,,,NSSALFVIQPAIQK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.704,244-790-7,22118-09-8,Bromoacetyl chloride,bromoacetyl chloride,ClC(=O)CBr,ClC(=O)CBr,InChI=1/C2H2BrClO/c3-1-2(4)5/h1H2,C2H2BrClO,,,,,,SYZRZLUNWVNNNV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.713,244-801-5,22135-53-1,4-bromo-a-propylbenzyl alcohol,1-(4-bromophenyl)butan-1-ol,CCCC(O)c1ccc(Br)cc1,CCCC(O)c1ccc(Br)cc1,"InChI=1/C10H13BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3",C10H13BrO,,,,,,DQQQQAUVVHNVPH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.715,244-803-6,22144-76-9,"7(S),18-dihydroxy-16(S),18(R)-dimethyl-10-phenyl[11]cytochalasa-5,13(E),19(E)-triene-1,17-dione 21(R)-acetate","3-benzyl-6,12-dihydroxy-4,5,10,12-tetramethyl-1,11-dioxo-2,3,3a,6,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-15-yl acetate",CC1CC=CC2C(O)C(=C(C)C3C(Cc4ccccc4)NC(=O)C23C(OC(=O)C)C=CC(C)(O)C1=O)C,CC1CC=CC2C(O)C(=C(C)C3C(Cc4ccccc4)NC(=O)C23C(OC(=O)C)C=CC(C)(O)C1=O)C,"InChI=1/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17,22-26,33,36H,10,16H2,1-5H3,(H,31,35)",C30H37NO6,,,,,,NAIODHJWOHMDJX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.723,244-812-5,22159-33-7,"4-[4-(2-chlorophenyl)-2-vinyloxazol-5-yl]-N,N-diethylaniline","4-[4-(2-chlorophenyl)-2-vinyl-1,3-oxazol-5-yl]-N,N-diethylaniline",CCN(CC)c1ccc(cc1)c2oc(C=C)nc2c3ccccc3Cl,CCN(CC)c1ccc(cc1)c2oc(C=C)nc2c3ccccc3Cl,"InChI=1/C21H21ClN2O/c1-4-19-23-20(17-9-7-8-10-18(17)22)21(25-19)15-11-13-16(14-12-15)24(5-2)6-3/h4,7-14H,1,5-6H2,2-3H3",C21H21ClN2O,,,,,,JJQOKUCYWIGCIN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.727,244-816-7,22176-45-0,"6-(pent-4-en-1-yl)-1,3,5-triazine-2,4-diamine","6-pent-4-en-1-yl-1,3,5-triazine-2,4-diamine",Nc1nc(N)nc(CCCC=C)n1,Nc1nc(N)nc(CCCC=C)n1,"InChI=1/C8H13N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2H,1,3-5H2,(H4,9,10,11,12,13)",C8H13N5,,,,,,DNROWNDXCCMFHU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.729,244-818-8,22177-56-6,"2,2'-(6-methyl-2-propylpyrimidin-4-yl)iminodiethanol","2,2'-[(6-methyl-2-propylpyrimidin-4-yl)imino]diethanol",CCCc1nc(C)cc(n1)N(CCO)CCO,CCCc1nc(C)cc(n1)N(CCO)CCO,"InChI=1/C12H21N3O2/c1-3-4-11-13-10(2)9-12(14-11)15(5-7-16)6-8-17/h9,16-17H,3-8H2,1-2H3",C12H21N3O2,,,,,,CQDORQXCAOMVBU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.732,244-821-4,22181-94-8,Ethyl N-[1-oxo-5-(1H-purin-6-ylthio)pentyl]glycinate,ethyl N-[5-(1H-purin-6-ylsulfanyl)pentanoyl]glycinate,CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2ncnc12,CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2ncnc12,"InChI=1/C14H19N5O3S/c1-2-22-11(21)7-15-10(20)5-3-4-6-23-14-12-13(17-8-16-12)18-9-19-14/h8-9H,2-7H2,1H3,(H,15,20)(H,16,17,18,19)",C14H19N5O3S,,,,,,GOZRRIWDZQPGMN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.734,244-824-0,22185-44-0,"1-benzyl-3,4-dimethylpyridinium chloride","1-benzyl-3,4-dimethylpyridinium chloride",[Cl-].Cc1cc[n+](Cc2ccccc2)cc1C,[Cl-].Cc1cc[n+](Cc2ccccc2)cc1C,"InChI=1/C14H16N.ClH/c1-12-8-9-15(10-13(12)2)11-14-6-4-3-5-7-14;/h3-10H,11H2,1-2H3;1H/q+1;/p-1",C14H16N.Cl,,,,,,CPRRKBQRSXJSFW-UHFFFAOYSA-M,,,,,,,,,,,
100.044.322,248-770-9,28002-70-2,Neomycin B sulphate,"4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside sulfate (salt)",NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.OS(=O)(=O)O,NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.OS(=O)(=O)O,"InChI=1/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)",C23H46N6O13.xH2O4S,,,,,,OIXVKQDWLFHVGR-WQDIDPJDSA-N,,,,,,,,,,,
100.044.324,248-773-5,28005-74-5,"2,2'-[(2-methylphenyl)imino]bisethanol","2,2'-[(2-methylphenyl)imino]diethanol",Cc1ccccc1N(CCO)CCO,Cc1ccccc1N(CCO)CCO,"InChI=1/C11H17NO2/c1-10-4-2-3-5-11(10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3",C11H17NO2,,,,,,LWAFETVQZHKDIS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.341,248-791-3,28042-61-7,Potassium trifluoromagnesate(1-),potassium trifluoromagnesate(1-),[K+].F[Mg-](F)F,[K+].F[Mg-](F)F,InChI=1/3FH.K.Mg/h3*1H;;/q;;;+1;+2/p-3/rF3Mg.K/c1-4(2)3;/q-1;+1,F3Mg.K,,,,,,QGKQZUBNOZRZAH-UHFFFAOYSA-K,,,,,,,,,,,
100.044.342,248-792-9,28043-10-9,"Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate","methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate",COC(=O)C1C(=CCCC1(C)C)C,COC(=O)C1C(=CCCC1(C)C)C,"InChI=1/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h6,9H,5,7H2,1-4H3",C11H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16342,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.342,NVAGRWXDIIKUBU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.154,222-168-6,3376-24-7,N-benzyliden-tert-butylamine N-ether,N-benzylidene-N-tert-butylamine oxide,CC(C)(C)N(=O)=Cc1ccccc1,CC(C)(C)N(=O)=Cc1ccccc1,"InChI=1/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3",C11H15NO,,,,,,IYSYLWYGCWTJSG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.155,222-169-1,3376-50-9,"2,4,6-trimethylpyridine 1-oxide","2,4,6-trimethylpyridine 1-oxide",Cc1cc(C)[n+]([O-])c(C)c1,Cc1cc(C)[n+]([O-])c(C)c1,"InChI=1/C8H11NO/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3",C8H11NO,,,,,,QBNLGSOBSNKMBN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.160,222-174-9,3377-87-5,3-bromohexane,3-bromohexane,CCCC(Br)CC,CCCC(Br)CC,"InChI=1/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3",C6H13Br,,,,,,IOZOJWNUKLCDML-UHFFFAOYSA-N,,,,,,,,,,,
100.020.163,222-178-0,3378-71-0,"2,5-dimethylpyrrolidine","2,5-dimethylpyrrolidine",CC1CCC(C)N1,CC1CCC(C)N1,"InChI=1/C6H13N/c1-5-3-4-6(2)7-5/h5-7H,3-4H2,1-2H3",C6H13N,,,,,,ZEBFPAXSQXIPNF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.164,222-179-6,3378-72-1,N-(tert-butyl)benzylamine,N-benzyl-2-methylpropan-2-amine,CC(C)(C)NCc1ccccc1,CC(C)(C)NCc1ccccc1,"InChI=1/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",C11H17N,,,,,,DLSOILHAKCBARI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.169,222-184-3,3381-26-8,Henicosan-11-ol,henicosan-11-ol,CCCCCCCCCCC(O)CCCCCCCCCC,CCCCCCCCCCC(O)CCCCCCCCCC,"InChI=1/C21H44O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3",C21H44O,,,,,,BCNCKKYOXRHQGT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.175,222-191-1,3383-96-8,Temephos,"O,O,O',O'-tetramethyl O,O'-(sulfanediyldi-4,1-phenylene) bis(thiophosphate)",COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,"InChI=1/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3",C16H20O6P2S3,,,,,,WWJZWCUNLNYYAU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.181,222-197-4,3385-61-3,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-ol","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-ol",OC1CC2CC1C3CC=CC23,OC1CC2CC1C3CC=CC23,"InChI=1/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-11H,3-5H2",C10H14O,,,,,,HIPPBUJQSIICJN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.182,222-199-5,3385-66-8,[(octyloxy)methyl]oxirane,2-[(octyloxy)methyl]oxirane,CCCCCCCCOCC1CO1,CCCCCCCCOCC1CO1,"InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h11H,2-10H2,1H3",C11H22O2,,,,,,HRWYHCYGVIJOEC-UHFFFAOYSA-N,,,,,,,,,,,
100.017.178,218-894-8,2275-23-2,Vamidothion,"O,O-dimethyl S-(2-{[1-methyl-2-(methylamino)-2-oxoethyl]sulfanyl}ethyl) thiophosphate",CNC(=O)C(C)SCCSP(=O)(OC)OC,CNC(=O)C(C)SCCSP(=O)(OC)OC,"InChI=1/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)",C8H18NO4PS2,,,,,,LESVOLZBIFDZGS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.179,218-895-3,2275-26-5,2-oxocyclohexanepropionic acid,3-(2-oxocyclohexyl)propanoic acid,OC(=O)CCC1CCCCC1=O,OC(=O)CCC1CCCCC1=O,"InChI=1/C9H14O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h7H,1-6H2,(H,11,12)",C9H14O3,,,,,,JCIZEWRBCTUEFG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.186,218-904-0,2277-92-1,Oxyclozanide,"2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide",Oc1c(Cl)cc(Cl)cc1NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl,Oc1c(Cl)cc(Cl)cc1NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl,"InChI=1/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)",C13H6Cl5NO3,,,,,,JYWIYHUXVMAGLG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.188,218-906-1,2278-50-4,"1H-benz[6,7]indazole[2,3,4-fgh]naphth[2'',3'':6',7']indolo[3',2':5,6]anthra[2,1,9-mna]acridine-2,7,10,15-tetrone","5H-benzo[6,7]indazolo[2,3,4-fgh]naphtho[2'',3'':6',7']indolo[3',2':5,6]anthra[2,1,9-mna]acridine-5,8,13,25(24H)-tetrone",O=C1c2ccccc2C(=O)c3c1ccc4c3[nH]c5ccc6c7ccc8c9c(ccc(C(=O)c6c45)c79)c%10ccc%11C(=O)c%12ccccc%12c%13nn8c%10c%11%13,O=C1c2ccccc2C(=O)c3c1ccc4c3[nH]c5ccc6c7ccc8c9c(ccc(C(=O)c6c45)c79)c%10ccc%11C(=O)c%12ccccc%12c%13nn8c%10c%11%13,"InChI=1/C45H19N3O4/c49-42-24-6-2-1-5-22(24)40-37-29(42)13-10-23-21-9-12-28-33-19(16-18-32(35(21)33)48(47-40)41(23)37)20-15-17-31-34(36(20)45(28)52)27-11-14-30-38(39(27)46-31)44(51)26-8-4-3-7-25(26)43(30)50/h1-18,46H",C45H19N3O4,,,,,,VUSWQWZUVYOZAY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.190,218-908-2,2279-18-7,"5-(allyloxy)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene","5-(allyloxy)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",C=CCOC1CC2CC1C3C=CCC23,C=CCOC1CC2CC1C3C=CCC23,"InChI=1/C13H18O/c1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11/h2-3,5,9-13H,1,4,6-8H2",C13H18O,,,,,,QFRXRJATKANZGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.192,218-910-3,2279-76-7,Tripropyltin chloride,tripropylstannanylium chloride,[Cl-].CCC[Sn+](CCC)CCC,[Cl-].CCC[Sn+](CCC)CCC,"InChI=1/3C3H7.ClH.Sn/c3*1-3-2;;/h3*1,3H2,2H3;1H;/q;;;;+1/p-1/rC9H21Sn.ClH/c1-4-7-10(8-5-2)9-6-3;/h4-9H2,1-3H3;1H/q+1;/p-1",C9H21ClSn,,,,,,FVFLIQMADUVDSP-UHFFFAOYSA-M,,,,,,,,,,,
100.017.196,218-915-0,2280-49-1,N-phenyl-N-[(trichloromethyl)thio]benzenesulphonamide,N-phenyl-N-[(trichloromethyl)sulfanyl]benzenesulfonamide,ClC(Cl)(Cl)SN(c1ccccc1)S(=O)(=O)c2ccccc2,ClC(Cl)(Cl)SN(c1ccccc1)S(=O)(=O)c2ccccc2,"InChI=1/C13H10Cl3NO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H",C13H10Cl3NO2S2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12472,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.196,CAXJFBOSFXRPOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.720,244-808-3,22153-71-5,p-nitrophenyl 6-deoxy-ß-L-galactopyranoside,4-nitrophenyl 6-deoxy-beta-L-galactopyranoside,C[C@@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3",C12H15NO7,,,,,,YILIDCGSXCGACV-NFOQIUCISA-N,,,,,,,,,,,
100.040.724,244-813-0,22160-11-8,"(±)-2,3-dimethylbutyric acid","2,3-dimethylbutanoic acid",CC(C)C(C)C(=O)O,CC(C)C(C)C(=O)O,"InChI=1/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)",C6H12O2,,,,,,XFOASZQZPWEJAA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.728,244-817-2,22177-51-1,1H-adenine hydrochloride,1H-purin-6-amine hydrochloride,Cl.Nc1[nH]cnc2ncnc12,Cl.Nc1[nH]cnc2ncnc12,"InChI=1/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H",C5H5N5.xClH,,,,,,UQVDQSWZQXDUJB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.735,244-825-6,22185-50-8,"1-benzyl-1,2-dihydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridine","1-benzyl-2-(4-methoxybenzyl)-3,4-dimethyl-1,2-dihydropyridine",COc1ccc(CC2N(Cc3ccccc3)C=CC(=C2C)C)cc1,COc1ccc(CC2N(Cc3ccccc3)C=CC(=C2C)C)cc1,"InChI=1/C22H25NO/c1-17-13-14-23(16-20-7-5-4-6-8-20)22(18(17)2)15-19-9-11-21(24-3)12-10-19/h4-14,22H,15-16H2,1-3H3",C22H25NO,,,,,,KSKPCURZYVZTBP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.738,244-828-2,22190-12-1,2-(phenylthio)quinoline,2-(phenylsulfanyl)quinoline,S(c1ccccc1)c2ccc3ccccc3n2,S(c1ccccc1)c2ccc3ccccc3n2,InChI=1/C15H11NS/c1-2-7-13(8-3-1)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-11H,C15H11NS,,,,,,BCOSVBKPHCKEII-UHFFFAOYSA-N,,,,,,,,,,,
100.044.316,248-764-6,27987-06-0,Trifluoroethane,"1,1,1-trifluoroethane",CC(F)(F)F,CC(F)(F)F,"InChI=1/C2H3F3/c1-2(3,4)5/h1H3",C2H3F3,,,,,,UJPMYEOUBPIPHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.323,248-771-4,28003-86-3,"L-lysine mono(1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate)","2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid - L-lysine (1:1)",NCCCC[C@H](N)C(=O)O.OC(=O)C1=CC(=O)NC(=O)N1,NCCCC[C@H](N)C(=O)O.OC(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C6H14N2O2.C5H4N2O4/c7-4-2-1-3-5(8)6(9)10;8-3-1-2(4(9)10)6-5(11)7-3/h5H,1-4,7-8H2,(H,9,10);1H,(H,9,10)(H2,6,7,8,11)",C6H14N2O2.C5H4N2O4,,,,,,FVGJURXBWORGKL-JEDNCBNOSA-N,,,,,,,,,,,
100.044.326,248-775-6,28009-80-5,"Bis(1,1-dimethylethyl) 3-oxoglutarate",di-tert-butyl 3-oxopentanedioate,CC(C)(C)OC(=O)CC(=O)CC(=O)OC(C)(C)C,CC(C)(C)OC(=O)CC(=O)CC(=O)OC(C)(C)C,"InChI=1/C13H22O5/c1-12(2,3)17-10(15)7-9(14)8-11(16)18-13(4,5)6/h7-8H2,1-6H3",C13H22O5,,,,,,KREDQIDLGFBDMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.327,248-776-1,28012-14-8,"6-methoxy-3,3-dimethylindan-5-ol","6-methoxy-3,3-dimethylindan-5-ol",COc1cc2CCC(C)(C)c2cc1O,COc1cc2CCC(C)(C)c2cc1O,"InChI=1/C12H16O2/c1-12(2)5-4-8-6-11(14-3)10(13)7-9(8)12/h6-7,13H,4-5H2,1-3H3",C12H16O2,,,,,,MMDXUGGZAWDJTD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.329,248-778-2,28016-00-4,Zinc bis(dinonylnaphthalenesulphonate),"zinc bis(2,3-dinonylnaphthalene-1-sulfonate)",[Zn+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-],[Zn+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-],"InChI=1/2C28H44O3S.Zn/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2",C28H44O3S.1/2Zn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17998,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.329,COGHWIKGZJHSAG-UHFFFAOYSA-L,,,,,,,,,,,
100.044.331,248-780-3,28020-34-0,2-(4-amino-N-ethyl-m-toluidino)ethanol sulphate,2-[(4-amino-3-methylphenyl)(ethyl)amino]ethanol sulfate (salt),CCN(CCO)c1ccc(N)c(C)c1.OS(=O)(=O)O,CCN(CCO)c1ccc(N)c(C)c1.OS(=O)(=O)O,"InChI=1/C11H18N2O.H2O4S/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;1-5(2,3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4)",C11H18N2O.xH2O4S,,,,,,GVEYRUKUJCHJSR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.333,248-782-4,28020-71-5,2-[(2-pyridinylmethyl)thio]-1H-benzimidazole-5-sulphonic acid,2-[(pyridin-2-ylmethyl)sulfanyl]-1H-benzimidazole-5-sulfonic acid,OS(=O)(=O)c1ccc2[nH]c(SCc3ccccn3)nc2c1,OS(=O)(=O)c1ccc2[nH]c(SCc3ccccn3)nc2c1,"InChI=1/C13H11N3O3S2/c17-21(18,19)10-4-5-11-12(7-10)16-13(15-11)20-8-9-3-1-2-6-14-9/h1-7H,8H2,(H,15,16)(H,17,18,19)",C13H11N3O3S2,,,,,,WMVRGOPCKSLXKV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.337,248-787-1,28026-69-9,"N-tert-butyl-N-(2,3-epoxypropyl)benzylamine",N-benzyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine,CC(C)(C)N(CC1CO1)Cc2ccccc2,CC(C)(C)N(CC1CO1)Cc2ccccc2,"InChI=1/C14H21NO/c1-14(2,3)15(10-13-11-16-13)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3",C14H21NO,,,,,,LJGRNWBXBMOCDO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.338,248-788-7,28029-53-0,Cobalt dinicotinate,cobalt(2+) dinicotinate,[Co+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2,[Co+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2,"InChI=1/2C6H5NO2.Co/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2",C6H5NO2.1/2Co,,,,,,OGTPCWAHIVWKGI-UHFFFAOYSA-L,,,,,,,,,,,
100.044.340,248-790-8,28031-44-9,"2,2'-[(2,2',3,3',5,5',6,6'-octachloro[1,1'-biphenyl]-4,4'-diyl)bis(oxyethane-2,1-diyloxy)]bisethanol","2,2'-[(2,2',3,3',5,5',6,6'-octachlorobiphenyl-4,4'-diyl)bis(oxyethane-2,1-diyloxy)]diethanol",OCCOCCOc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(OCCOCCO)c(Cl)c2Cl,OCCOCCOc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(OCCOCCO)c(Cl)c2Cl,"InChI=1/C20H18Cl8O6/c21-11-9(12(22)16(26)19(15(11)25)33-7-5-31-3-1-29)10-13(23)17(27)20(18(28)14(10)24)34-8-6-32-4-2-30/h29-30H,1-8H2",C20H18Cl8O6,,,,,,JCAKQWYCRZDXTP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.062,248-483-9,27478-24-6,Ammonium butylnaphthalenesulphonate,ammonium 2-butylnaphthalene-1-sulfonate,[NH4+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-],[NH4+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C14H16O3S.H3N/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);1H3",C14H16O3S.H3N,,,,,,JMBFLNGHLUPPOF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.069,248-491-2,27489-60-7,trans-N-(4-hydroxycyclohexyl)acetamide,N-(4-hydroxycyclohexyl)acetamide,CC(=O)NC1CCC(O)CC1,CC(=O)NC1CCC(O)CC1,"InChI=1/C8H15NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7-8,11H,2-5H2,1H3,(H,9,10)",C8H15NO2,,,,,,HWAFCRWGGRVEQL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.070,248-492-8,27489-62-9,trans-4-aminocyclohexan-1-ol,4-aminocyclohexanol,N[C@@H]1CC[C@@H](O)CC1,N[C@@H]1CC[C@@H](O)CC1,"InChI=1/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2",C6H13NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7868,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.070,IMLXLGZJLAOKJN-IZLXSQMJSA-N,,,,,,,,,,,
100.044.077,248-501-5,27501-55-9,"Ammonium 1,4-dinonyl sulphonatosuccinate","ammonium 1,4-bis(nonyloxy)-1,4-dioxobutane-2-sulfonate",[NH4+].CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)[O-],[NH4+].CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C22H42O7S.H3N/c1-3-5-7-9-11-13-15-17-28-21(23)19-20(30(25,26)27)22(24)29-18-16-14-12-10-8-6-4-2;/h20H,3-19H2,1-2H3,(H,25,26,27);1H3",C22H42O7S.H3N,,,,,,PIKODYZXFHKWFW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.081,248-505-7,27519-02-4,cis-tricos-9-ene,tricos-9-ene,CCCCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3",C23H46,,,,,,IGOWHGRNPLFNDJ-ZPHPHTNESA-N,,,,,,,,,,,
100.044.082,248-506-2,27522-11-8,2-ethylpentan-1-ol,2-ethylpentan-1-ol,CCCC(CC)CO,CCCC(CC)CO,"InChI=1/C7H16O/c1-3-5-7(4-2)6-8/h7-8H,3-6H2,1-2H3",C7H16O,,,,,,UKFQWAVMIMCNEH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.085,248-509-9,27525-74-2,"Dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate","dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate",COC(=O)c1cc(C(=O)OC)c(C)nc1C,COC(=O)c1cc(C(=O)OC)c(C)nc1C,"InChI=1/C11H13NO4/c1-6-8(10(13)15-3)5-9(7(2)12-6)11(14)16-4/h5H,1-4H3",C11H13NO4,,,,,,UTGAVWVWCKHFRU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.620,250-197-4,30434-54-9,Isobutyl 3-methyl-2-butenoate,isobutyl 3-methylbut-2-enoate,CC(C)COC(=O)C=C(C)C,CC(C)COC(=O)C=C(C)C,"InChI=1/C9H16O2/c1-7(2)5-9(10)11-6-8(3)4/h5,8H,6H2,1-4H3",C9H16O2,,,,,,OORIYKITSHAVJG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.621,250-199-5,30434-64-1,"3,4-dimethylcyclopent-2-en-1-one","3,4-dimethylcyclopent-2-en-1-one",CC1CC(=O)C=C1C,CC1CC(=O)C=C1C,"InChI=1/C7H10O/c1-5-3-7(8)4-6(5)2/h3,6H,4H2,1-2H3",C7H10O,,,,,,XSOSLVVAKBKYRV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.752,244-843-4,22205-64-7,"Thiocyanic acid, compound with piperidine (1:1)",piperidine thiocyanate,SC#N.C1CCNCC1,SC#N.C1CCNCC1,"InChI=1/C5H11N.CHNS/c1-2-4-6-5-3-1;2-1-3/h6H,1-5H2;3H",C5H11N.CHNS,,,,,,HHUXWFCTZRENLW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.759,244-851-8,22231-33-0,Sodium [4-(dimethylamino)phenyl]phosphinate,sodium [4-(dimethylamino)phenyl]phosphinate,[Na+].CN(C)c1ccc(cc1)P(=O)[O-],[Na+].CN(C)c1ccc(cc1)P(=O)[O-],"InChI=1/C8H12NO2P.Na/c1-9(2)7-3-5-8(6-4-7)12(10)11;/h3-6,12H,1-2H3,(H,10,11);/q;+1/p-1",C8H12NO2P.Na,,,,,,FGWROZNNQUBUPH-UHFFFAOYSA-M,,,,,,,,,,,
100.040.769,244-862-8,22238-17-1,Tri-sec-butyl borate,tri-sec-butyl borate,CCC(C)OB(OC(C)CC)OC(C)CC,CCC(C)OB(OC(C)CC)OC(C)CC,"InChI=1/C12H27BO3/c1-7-10(4)14-13(15-11(5)8-2)16-12(6)9-3/h10-12H,7-9H2,1-6H3",C12H27BO3,,,,,,MOFPNEADTSBYFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.777,244-871-7,22252-92-2,3-hydroxy-2-phenylacrylonitrile,3-hydroxy-2-phenylacrylonitrile,O\\C=C(\\C#N)/c1ccccc1,O\C=C(\C#N)/c1ccccc1,"InChI=1/C9H7NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H",C9H7NO,,,,,,GQNBRISQKUALEP-CLFYSBASSA-N,,,,,,,,,,,
100.040.780,244-874-3,22254-53-1,"N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide","N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide",COc2cc(NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O)c(cc2Cl)OC,COc2cc(NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O)c(cc2Cl)OC,"InChI=1/C19H19ClN4O7/c1-10(25)18(23-22-13-6-5-11(24(27)28)7-16(13)30-3)19(26)21-14-9-15(29-2)12(20)8-17(14)31-4/h5-9,18H,1-4H3,(H,21,26)",C19H19ClN4O7,,,,,,UKDQJSCBLDOTIF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.743,247-033-9,25493-13-4,"(a,a,a,a',a',a'-2H6)p-xylene",p-xylene,Cc1ccc(C)cc1,Cc1ccc(C)cc1,"InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",C8H4D6,,,,,,URLKBWYHVLBVBO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.380,248-834-6,28092-53-7,"[3aS-(3aa,4a,6aa)]-1,3-dibenzyltetrahydro-4-hydroxy-4-(3-methoxypropyl)-1H-thieno[3,4-d]imidazol-2(3H)-one","1,3-dibenzyl-4-hydroxy-4-(3-methoxypropyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one",COCCCC1(O)SCC2C1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,COCCCC1(O)SCC2C1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,"InChI=1/C23H28N2O3S/c1-28-14-8-13-23(27)21-20(17-29-23)24(15-18-9-4-2-5-10-18)22(26)25(21)16-19-11-6-3-7-12-19/h2-7,9-12,20-21,27H,8,13-17H2,1H3",C23H28N2O3S,,,,,,AJYWROKDQMJIES-UHFFFAOYSA-N,,,,,,,,,,,
100.044.383,248-837-2,28094-15-7,5-(2-aminoethyl)-4-hydroxypyrocatechol hydrochloride,"5-(2-aminoethyl)benzene-1,2,4-triol hydrochloride",Cl.NCCc1cc(O)c(O)cc1O,Cl.NCCc1cc(O)c(O)cc1O,"InChI=1/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H",C8H11NO3.ClH,,,,,,QLMRJHFAGVFUAC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.343,248-793-4,28044-40-8,"N-isopropyl-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)allyl]piperazine-1-acetamide maleate","N-isopropyl-2-{4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazin-1-yl}acetamide but-2-enedioate",COc1cc(\\C=C\\C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1OC.OC(=O)\\C=C/C(=O)O,COc1cc(\C=C\C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1OC.OC(=O)\C=C/C(=O)O,"InChI=1/C21H31N3O5.C4H4O4/c1-15(2)22-19(25)14-23-8-10-24(11-9-23)20(26)7-6-16-12-17(27-3)21(29-5)18(13-16)28-4;5-3(6)1-2-4(7)8/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,22,25);1-2H,(H,5,6)(H,7,8)",C21H31N3O5.xC4H4O4,,,,,,WOSAGTMAYYLCTD-GVTSEVKNSA-N,,,,,,,,,,,
100.044.346,248-797-6,28048-33-1,"Disodium 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]bis(benzenesulphonate)","disodium 4,4'-(3-pyridin-2-yl-1,2,4-triazine-5,6-diyl)dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2nnc(nc2c3ccc(cc3)S(=O)(=O)[O-])c4ccccn4,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2nnc(nc2c3ccc(cc3)S(=O)(=O)[O-])c4ccccn4,"InChI=1/C20H14N4O6S2.2Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C20H14N4O6S2.2Na,,,,,,DDIHLFCSEHAOJZ-UHFFFAOYSA-L,,,,,,,,,,,
100.044.350,248-801-6,28053-08-9,Uridine(5')disodiodiphospho(1)-a-D-glucose,"(3,4-dihydroxytetrahydrofuran-2-yl)methyl 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)",OCC1OC(OP(=O)(O)OP(=O)(O)OCC2OCC(O)C2O)C(O)C(O)C1O,OCC1OC(OP(=O)(O)OP(=O)(O)OCC2OCC(O)C2O)C(O)C(O)C1O,"InChI=1/C11H22O15P2/c12-1-5-8(15)9(16)10(17)11(24-5)25-28(20,21)26-27(18,19)23-3-6-7(14)4(13)2-22-6/h4-17H,1-3H2,(H,18,19)(H,20,21)",C15H24N2O17P2.2Na,,,,,,ZZAHNEVHQYWAEU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.357,248-808-4,28061-11-2,Diphenyloxazole,"2,4-diphenyl-1,3-oxazole",o1cc(nc1c2ccccc2)c3ccccc3,o1cc(nc1c2ccccc2)c3ccccc3,InChI=1/C15H11NO/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13/h1-11H,C15H11NO,,,,,,VUPXKQHLZATXTR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.360,248-812-6,28063-42-5,"(Z)-docos-13-enoic acid, monoester with glycerol",2-hydroxy-1-(hydroxymethyl)ethyl docos-13-enoate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(CO)CO,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(CO)CO,"InChI=1/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h9-10,24,26-27H,2-8,11-23H2,1H3",C25H48O4,,,,,,TZDOBCZHGBGJLS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.361,248-813-1,28065-97-6,"Oleic acid, compound with (Z)-octadec-9-enylamine (1:1)",octadec-9-enoic acid - octadec-9-en-1-amine (1:1),CCCCCCCC\\C=C/CCCCCCCCN.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCC\C=C/CCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C18H37N.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C18H37N.C18H34O2,,,,,,QAIHWMZHLIBAFX-QZOPMXJLSA-N,,,,,,,,,,,
100.042.037,246-257-4,24448-01-9,"2-undecyl-2-oxazoline-4,4-dimethanol","(2-undecyl-4,5-dihydro-1,3-oxazole-4,4-diyl)dimethanol",CCCCCCCCCCCC1=NC(CO)(CO)CO1,CCCCCCCCCCCC1=NC(CO)(CO)CO1,"InChI=1/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-15-17-16(12-18,13-19)14-20-15/h18-19H,2-14H2,1H3",C16H31NO3,,,,,,XMQGZCSSTZWPTO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.039,246-260-0,24448-06-4,4-ethyl-2-octyl-2-oxazoline-4-methanol,"(4-ethyl-2-octyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCCC1=NC(CC)(CO)CO1,CCCCCCCCC1=NC(CC)(CO)CO1,"InChI=1/C14H27NO2/c1-3-5-6-7-8-9-10-13-15-14(4-2,11-16)12-17-13/h16H,3-12H2,1-2H3",C14H27NO2,,,,,,HYKRXSPZUWSKGW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.041,246-262-1,24448-09-7,Heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctanesulphonamide,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide",CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H8F17NO3S/c1-29(2-3-30)33(31,32)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h30H,2-3H2,1H3",C11H8F17NO3S,,,,,,PLGACQRCZCVKGK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.046,246-267-9,24458-48-8,N-(2-methyl-2-nitropropyl)-4-nitrosoaniline,N-(2-methyl-2-nitropropyl)-4-nitrosoaniline,CC(C)(CNc1ccc(cc1)N=O)[N+](=O)[O-],CC(C)(CNc1ccc(cc1)N=O)[N+](=O)[O-],"InChI=1/C10H13N3O3/c1-10(2,13(15)16)7-11-8-3-5-9(12-14)6-4-8/h3-6,11H,7H2,1-2H3",C10H13N3O3,,,,,,HGAHFVOTRBLLFI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.052,246-274-7,24463-19-2,9-(chloromethyl)anthracene,9-(chloromethyl)anthracene,ClCc1c2ccccc2cc3ccccc13,ClCc1c2ccccc2cc3ccccc13,"InChI=1/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2",C15H11Cl,,,,,,PCVRSXXPGXRVEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.056,246-278-9,24468-13-1,2-ethylhexyl chloroformate,2-ethylhexyl chlorocarbonate,CCCCC(CC)COC(=O)Cl,CCCCC(CC)COC(=O)Cl,"InChI=1/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3",C9H17ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14153,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.056,RTGLJCSUKOLTEM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.060,246-283-6,24476-55-9,4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile,1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidine-4-carbonitrile,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C#N)c3ccccc3,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C#N)c3ccccc3,"InChI=1/C19H20N2O2S/c1-16-7-9-18(10-8-16)24(22,23)21-13-11-19(15-20,12-14-21)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3",C19H20N2O2S,,,,,,RQTVIKMRXYJTDX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.069,246-293-0,24519-27-5,"5,6-dihydro-1,4-dithiin-2,3-dicarbonitrile","5,6-dihydro-1,4-dithiine-2,3-dicarbonitrile",N#CC1=C(SCCS1)C#N,N#CC1=C(SCCS1)C#N,InChI=1/C6H4N2S2/c7-3-5-6(4-8)10-2-1-9-5/h1-2H2,C6H4N2S2,,,,,,FBSVHCGELQWERO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.200,218-919-2,1/08/2283,2-hydroxy-1-naphthoic acid,2-hydroxy-1-naphthoic acid,OC(=O)c1c(O)ccc2ccccc12,OC(=O)c1c(O)ccc2ccccc12,"InChI=1/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)",C11H8O3,,,,,,UPHOPMSGKZNELG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.201,218-920-8,6/11/2283,Tris(diethylamino)phosphine,"N,N,N',N',N'',N''-hexaethylphosphorous triamide",CCN(CC)P(N(CC)CC)N(CC)CC,CCN(CC)P(N(CC)CC)N(CC)CC,"InChI=1/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3",C12H30N3P,,,,,,FDIOSTIIZGWENY-UHFFFAOYSA-N,,,,,,,,,,,
100.017.203,218-922-9,2284-30-2,4-benzylresorcinol,"4-benzylbenzene-1,3-diol",Oc1ccc(Cc2ccccc2)c(O)c1,Oc1ccc(Cc2ccccc2)c(O)c1,"InChI=1/C13H12O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2",C13H12O2,,,,,,QVFIWTNWKHFVEH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.212,218-932-3,2293-55-2,"2-chloro-N-(1,1-dimethyl-2-phenylethyl)-N-methylacetamide","2-chloro-N-(1,1-dimethyl-2-phenylethyl)-N-methylacetamide",CN(C(=O)CCl)C(C)(C)Cc1ccccc1,CN(C(=O)CCl)C(C)(C)Cc1ccccc1,"InChI=1/C13H18ClNO/c1-13(2,15(3)12(16)10-14)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3",C13H18ClNO,,,,,,NDMFQZFHMQOFBT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.214,218-934-4,2294-71-5,Methyl 2-phenylbutyrate,methyl 2-phenylbutanoate,CCC(C(=O)OC)c1ccccc1,CCC(C(=O)OC)c1ccccc1,"InChI=1/C11H14O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3",C11H14O2,,,,,,PPIQQNDMGXNRFA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.218,218-939-1,7/12/2295,"1,1-dimethylsilacyclobutane","1,1-dimethylsiletane",C[Si]1(C)CCC1,C[Si]1(C)CCC1,"InChI=1/C5H12Si/c1-6(2)4-3-5-6/h3-5H2,1-2H3",C5H12Si,,,,,,YQQFFTNDQFUNHB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.220,218-941-2,2295-31-0,"Thiazolidine-2,4-dione","1,3-thiazolidine-2,4-dione",O=C1CSC(=O)N1,O=C1CSC(=O)N1,"InChI=1/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)",C3H3NO2S,,,,,,ZOBPZXTWZATXDG-UHFFFAOYSA-N,,,,,,,,,,,
100.017.222,218-943-3,2297-30-5,"Androst-5-ene-(3ß,17ß)-diol dipropionate","androst-5-ene-3,17-diyl dipropanoate",CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)OC(=O)CC,CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)OC(=O)CC,"InChI=1/C25H38O4/c1-5-22(26)28-17-11-13-24(3)16(15-17)7-8-18-19-9-10-21(29-23(27)6-2)25(19,4)14-12-20(18)24/h7,17-21H,5-6,8-15H2,1-4H3",C25H38O4,,,,,,ZDDFOEZPFDWEQS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.223,218-944-9,9/07/2298,4-bromo-1-naphthylamine,4-bromonaphthalen-1-amine,Nc1ccc(Br)c2ccccc12,Nc1ccc(Br)c2ccccc12,"InChI=1/C10H8BrN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2",C10H8BrN,,,,,,LIUKLAQDPKYBCP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.226,218-948-0,2299-26-5,"Methyl (20a)-19,20-dihydro-3-oxovobasan-17-oate","methyl 3-oxo-19,20-dihydrovobasan-17-oate",CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC,CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC,"InChI=1/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3",C21H26N2O3,,,,,,FFVRRQMGGGTQRH-YWKPPDPDSA-N,,,,,,,,,,,
100.016.766,218-441-4,2152-64-9,"N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride","4,4'-{[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methylene}bis(N-phenylaniline) hydrochloride",Cl.N(c1ccccc1)c2ccc(cc2)C(=C3C=CC(=Nc4ccccc4)C=C3)c5ccc(Nc6ccccc6)cc5,Cl.N(c1ccccc1)c2ccc(cc2)C(=C3C=CC(=Nc4ccccc4)C=C3)c5ccc(Nc6ccccc6)cc5,"InChI=1/C37H29N3.ClH/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33;/h1-27,38-39H;1H",C37H29N3.ClH,,,,,,JMCKWTQLJNQCTD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.768,218-444-0,2153-26-6,p-menth-1-en-8-yl formate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl formate,CC1=CCC(CC1)C(C)(C)OC=O,CC1=CCC(CC1)C(C)(C)OC=O,"InChI=1/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3",C11H18O2,,,,,,IPYLQIQMGUZFCK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.771,218-447-7,2154-67-8,"3-carboxy-2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy","1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid",CC1(C)C=C(C(=O)O)C(C)(C)N1O,CC1(C)C=C(C(=O)O)C(C)(C)N1O,"InChI=1/C9H15NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h5,13H,1-4H3,(H,11,12)",C9H14NO3,,,,,,SADYUZSTFFUBBP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.780,218-457-1,2155-81-9,Antimony tris(2-ethylhexanoate),antimony(3+) tris(2-ethylhexanoate),[SbH3+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[SbH3+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Sb.3H/c3*1-3-5-6-7(4-2)8(9)10;;;;/h3*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;+3;;;/p-3/r3C8H16O2.H3Sb/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3/q;;;+3/p-3",C8H16O2.1/3Sb,,,,,,PTAKQGJHRNGCOQ-UHFFFAOYSA-K,,,,,,,,,,,
100.016.785,218-462-9,2156-96-9,Decyl acrylate,decyl acrylate,CCCCCCCCCCOC(=O)C=C,CCCCCCCCCCOC(=O)C=C,"InChI=1/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3",C13H24O2,,,,,,FWLDHHJLVGRRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.016.787,218-465-5,9/01/2157,Octyl methacrylate,octyl methacrylate,CCCCCCCCOC(=O)C(=C)C,CCCCCCCCOC(=O)C(=C)C,"InChI=1/C12H22O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h2,4-10H2,1,3H3",C12H22O2,,,,,,NZIDBRBFGPQCRY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.348,248-799-7,28049-61-8,1-(4-chlorophenyl)cyclobutanecarbonitrile,1-(4-chlorophenyl)cyclobutanecarbonitrile,Clc1ccc(cc1)C2(CCC2)C#N,Clc1ccc(cc1)C2(CCC2)C#N,"InChI=1/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2",C11H10ClN,,,,,,XQONXPWVIZZJIL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.351,248-802-1,28056-54-4,"2,2,4-trimethylcyclopentan-1-one","2,2,4-trimethylcyclopentanone",CC1CC(=O)C(C)(C)C1,CC1CC(=O)C(C)(C)C1,"InChI=1/C8H14O/c1-6-4-7(9)8(2,3)5-6/h6H,4-5H2,1-3H3",C8H14O,,,,,,PJXIBUIXCXSNCM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.035,246-255-3,24447-84-5,"1,1'-[[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]diethylene]dipyridinium dichloride","1,1'-[({4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl]dipyridinium dichloride",[Cl-].[Cl-].[O-][N+](=O)c4ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC[n+]3ccccc3)c(Cl)c4,[Cl-].[Cl-].[O-][N+](=O)c4ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC[n+]3ccccc3)c(Cl)c4,"InChI=1/C26H25ClN6O2.2ClH/c27-25-21-24(33(34)35)11-12-26(25)29-28-22-7-9-23(10-8-22)32(19-17-30-13-3-1-4-14-30)20-18-31-15-5-2-6-16-31;;/h1-16,21H,17-20H2;2*1H/q+2;;/p-2",C26H25ClN6O2.2Cl,,,,,,CVHSDIJHBNSTKY-UHFFFAOYSA-L,,,,,,,,,,,
100.042.038,246-259-5,24448-04-2,4-ethyl-2-heptadecyl-2-oxazoline-4-methanol,"(4-ethyl-2-heptadecyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCCCCCCCCCCCC1=NC(CC)(CO)CO1,CCCCCCCCCCCCCCCCCC1=NC(CC)(CO)CO1,"InChI=1/C23H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4-2,20-25)21-26-22/h25H,3-21H2,1-2H3",C23H45NO2,,,,,,ZFRHGYULKOIOBB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.040,246-261-6,24448-07-5,4-ethyl-2-undecyl-2-oxazoline-4-methanol,"(4-ethyl-2-undecyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCCCCCC1=NC(CC)(CO)CO1,CCCCCCCCCCCC1=NC(CC)(CO)CO1,"InChI=1/C17H33NO2/c1-3-5-6-7-8-9-10-11-12-13-16-18-17(4-2,14-19)15-20-16/h19H,3-15H2,1-2H3",C17H33NO2,,,,,,VBFBQEURBQANIX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.042,246-263-7,24448-20-2,"(1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl) bismethacrylate","propane-2,2-diylbis(4,1-phenyleneoxyethane-2,1-diyl) bis(2-methylacrylate)",CC(=C)C(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)C(=C)C)cc2,CC(=C)C(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)C(=C)C)cc2,"InChI=1/C27H32O6/c1-19(2)25(28)32-17-15-30-23-11-7-21(8-12-23)27(5,6)22-9-13-24(14-10-22)31-16-18-33-26(29)20(3)4/h7-14H,1,3,15-18H2,2,4-6H3",C27H32O6,,,,,,VIYWVRIBDZTTMH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.045,246-266-3,24449-58-9,N-[4-hydroxy-3-(1-oxo-3-phenylallyl)phenyl]acetamide,N-(3-cinnamoyl-4-hydroxyphenyl)acetamide,CC(=O)Nc1ccc(O)c(c1)C(=O)\\C=C\\c2ccccc2,CC(=O)Nc1ccc(O)c(c1)C(=O)\C=C\c2ccccc2,"InChI=1/C17H15NO3/c1-12(19)18-14-8-10-17(21)15(11-14)16(20)9-7-13-5-3-2-4-6-13/h2-11,21H,1H3,(H,18,19)",C17H15NO3,,,,,,PQOXQUOIPRIKBV-VQHVLOKHSA-N,,,,,,,,,,,
100.042.047,246-268-4,24459-40-3,"2,12-dibromocyclododecanone","2,12-dibromocyclododecanone",BrC1CCCCCCCCCC(Br)C1=O,BrC1CCCCCCCCCC(Br)C1=O,"InChI=1/C12H20Br2O/c13-10-8-6-4-2-1-3-5-7-9-11(14)12(10)15/h10-11H,1-9H2",C12H20Br2O,,,,,,CLAFKWVRFMBEBC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.050,246-272-6,24460-74-0,Dodecyl chloroformate,dodecyl chlorocarbonate,CCCCCCCCCCCCOC(=O)Cl,CCCCCCCCCCCCOC(=O)Cl,"InChI=1/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3",C13H25ClO2,,,,,,AFPOMDNRTZLRMD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.057,246-279-4,24468-28-8,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione, zinc salt",-,[Zn+2].O=C1NC(=O)NC(=O)N1,[Zn+2].O=C1NC(=O)NC(=O)N1,"InChI=1/C3H3N3O3.Zn/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+2",C3H3N3O3.xZn,,,,,,GDVNODJYFJDZOU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.066,246-289-9,24499-80-7,"5,5-dimethylhexanoic acid","5,5-dimethylhexanoic acid",CC(C)(C)CCCC(=O)O,CC(C)(C)CCCC(=O)O,"InChI=1/C8H16O2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3,(H,9,10)",C8H16O2,,,,,,VBHRLSQLJDHSCO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.073,246-297-2,24524-90-1,"1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinolin-8-amine maleate","2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine but-2-enedioate",CN1CC(c2ccccc2)c3cccc(N)c3C1.OC(=O)\\C=C/C(=O)O,CN1CC(c2ccccc2)c3cccc(N)c3C1.OC(=O)\C=C/C(=O)O,"InChI=1/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)",C16H18N2.xC4H4O4,,,,,,GEOCVSMCLVIOEV-BTJKTKAUSA-N,,,,,,,,,,,
100.042.078,246-302-8,24539-57-9,Hexyl hydrogen phthalate,2-[(hexyloxy)carbonyl]benzoic acid,CCCCCCOC(=O)c1ccccc1C(=O)O,CCCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)",C14H18O4,,,,,,XOSNGXNHDRYFEF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.080,246-304-9,24539-60-4,Decyl hydrogen phthalate,2-[(decyloxy)carbonyl]benzoic acid,CCCCCCCCCCOC(=O)c1ccccc1C(=O)O,CCCCCCCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C18H26O4/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20)",C18H26O4,,,,,,FEFCILUKYGHITK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.794,250-389-8,30923-82-1,N-tert-butyldibenzylamine,"N,N-dibenzyl-2-methylpropan-2-amine",CC(C)(C)N(Cc1ccccc1)Cc2ccccc2,CC(C)(C)N(Cc1ccccc1)Cc2ccccc2,"InChI=1/C18H23N/c1-18(2,3)19(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3",C18H23N,,,,,,PPFYOXKDKHANSL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.386,248-840-9,28099-67-4,Calcium 2-methoxyethanolate,calcium bis(2-methoxyethanolate),[Ca+2].COCC[O-].COCC[O-],[Ca+2].COCC[O-].COCC[O-],"InChI=1/2C3H7O2.Ca/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2",C3H8O2.1/2Ca,,,,,,OFPISIUOJVZBMS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.393,248-848-2,28108-99-8,Isopropylphenyl diphenyl phosphate,2-isopropylphenyl diphenyl phosphate,CC(C)c1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3,CC(C)c1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3,"InChI=1/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3",C21H21O4P,,,,,,JJXNVYMIYBNZQX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.398,248-854-5,28120-03-8,"4,5-dihydro-2-[[2-isopropyl-5-methylphenoxy]methyl]-1H-imidazole monohydrochloride","2-[(2-isopropyl-5-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochloride",Cl.CC(C)c1ccc(C)cc1OCC2=NCCN2,Cl.CC(C)c1ccc(C)cc1OCC2=NCCN2,"InChI=1/C14H20N2O.ClH/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14;/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16);1H",C14H20N2O.ClH,,,,,,DKIDQLUKAZZLAR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.403,248-859-2,28137-64-6,"1,1'-(octadecylimino)dipropan-2-ol","1,1'-(octadecylimino)dipropan-2-ol",CCCCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O,CCCCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O,"InChI=1/C24H51NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h23-24,26-27H,4-22H2,1-3H3",C24H51NO2,,,,,,WPNICNOCPSBYTR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.407,248-863-4,28141-00-6,1-[(4-methylphenyl)amino]-4-(phenylamino)anthraquinone,"1-anilino-4-[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2ccc(Nc3ccccc3)c4C(=O)c5ccccc5C(=O)c24)cc1,Cc1ccc(Nc2ccc(Nc3ccccc3)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C27H20N2O2/c1-17-11-13-19(14-12-17)29-23-16-15-22(28-18-7-3-2-4-8-18)24-25(23)27(31)21-10-6-5-9-20(21)26(24)30/h2-16,28-29H,1H3",C27H20N2O2,,,,,,WQNMFEKGZGXWQO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.412,248-869-7,28150-30-3,[[p-(benzyloxy)phenoxy]methyl]oxirane,2-{[4-(benzyloxy)phenoxy]methyl}oxirane,C(Oc1ccc(OCc2ccccc2)cc1)C3CO3,C(Oc1ccc(OCc2ccccc2)cc1)C3CO3,"InChI=1/C16H16O3/c1-2-4-13(5-3-1)10-17-14-6-8-15(9-7-14)18-11-16-12-19-16/h1-9,16H,10-12H2",C16H16O3,,,,,,BYDXZYUGDXYSJY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.462,244-525-5,21679-14-1,Fludarabine,9-beta-D-arabinofuranosyl-2-fluoro-9H-purin-6-amine,Nc3nc(F)nc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,Nc3nc(F)nc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)",C10H12FN5O4,,,,,,HBUBKKRHXORPQB-FJFJXFQQSA-N,,,,,,,,,,,
100.040.468,244-531-8,21690-93-7,OO-tert-butyl O-cyclohexyl peroxycarbonate,{[(tert-butylperoxy)carbonyl]oxy}cyclohexane,CC(C)(C)OOC(=O)OC1CCCCC1,CC(C)(C)OOC(=O)OC1CCCCC1,"InChI=1/C11H20O4/c1-11(2,3)15-14-10(12)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",C11H20O4,,,,,,BBVLYGIYPWGECH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.472,244-536-5,21702-84-1,"2,4-dibromoanisole","2,4-dibromo-1-methoxybenzene",COc1ccc(Br)cc1Br,COc1ccc(Br)cc1Br,"InChI=1/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3",C7H6Br2O,,,,,,XGXUGXPKRBQINS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.474,244-538-6,21715-90-2,"N-hydroxynorborn-5-ene-2,3-dicarboximide","2-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",ON1C(=O)C2C3CC(C=C3)C2C1=O,ON1C(=O)C2C3CC(C=C3)C2C1=O,"InChI=1/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h1-2,4-7,13H,3H2",C9H9NO3,,,,,,ZUSSTQCWRDLYJA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.477,244-541-2,21720-47-8,"11ß,21-dihydroxypregna-4,16-diene-3,20-dione 21-acetate","11-hydroxy-3,20-dioxopregna-4,16-dien-21-yl acetate",CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C23H30O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7,10,16-17,19,21,26H,4-6,8-9,11-12H2,1-3H3",C23H30O5,,,,,,XHSVJQFXSJKUIK-MHYQPVDNSA-N,,,,,,,,,,,
100.040.478,244-542-8,21721-92-6,Nitrefazole,2-methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole,Cc1nc(cn1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],Cc1nc(cn1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H8N4O4/c1-7-11-10(14(17)18)6-12(7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H3",C10H8N4O4,,,,,,NMTBSNPBIGRZBL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.493,244-559-0,21739-93-5,2-bromo-5-chlorobenzoic acid,2-bromo-5-chlorobenzoic acid,OC(=O)c1cc(Cl)ccc1Br,OC(=O)c1cc(Cl)ccc1Br,"InChI=1/C7H4BrClO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)",C7H4BrClO2,,,,,,RBCPJQQJBAQSOU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.498,244-564-8,21746-40-7,"1-propyl-1H-pyrrole-2,5-dione","1-propyl-1H-pyrrole-2,5-dione",CCCN1C(=O)C=CC1=O,CCCN1C(=O)C=CC1=O,"InChI=1/C7H9NO2/c1-2-5-8-6(9)3-4-7(8)10/h3-4H,2,5H2,1H3",C7H9NO2,,,,,,DABFKTHTXOELJF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.499,244-565-3,21747-46-6,"[1aR-(1aa,7a,7aß,7ba)]-1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene","1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene",CC1CCC2=C(C)CCC3C(C12)C3(C)C,CC1CCC2=C(C)CCC3C(C12)C3(C)C,"InChI=1/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3",C15H24,,,,,,WGTRJVCFDUCKCM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.070,246-294-6,24520-19-2,"Pentafluoro[1,2,2-trifluoro-2-[(trifluorovinyl)oxy]-1-(trifluoromethyl)ethoxy]benzene","1-(1-{difluoro[(trifluorovinyl)oxy]methyl}-1,2,2,2-tetrafluoroethoxy)-2,3,4,5,6-pentafluorobenzene",FC(=C(F)OC(F)(F)C(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F)F,FC(=C(F)OC(F)(F)C(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F)F,"InChI=1/C11F14O2/c12-1-2(13)4(15)6(5(16)3(1)14)26-9(20,10(21,22)23)11(24,25)27-8(19)7(17)18",C11F14O2,,,,,,QYMQYPBAGDZNMY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.071,246-295-1,24521-43-5,1-allylimidazolidine-2-thione,1-allylimidazolidine-2-thione,C=CCN1CCNC1=S,C=CCN1CCNC1=S,"InChI=1/C6H10N2S/c1-2-4-8-5-3-7-6(8)9/h2H,1,3-5H2,(H,7,9)",C6H10N2S,,,,,,AXESYVVAZRMSJN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.072,246-296-7,24521-76-4,"1,5,6,7-tetrahydro-6-thioxo-4H-pyrazolo[3,4-d]pyrimidin-4-one","6-thioxo-1,5,6,7-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",O=C1NC(=S)Nc2[nH]ncc12,O=C1NC(=S)Nc2[nH]ncc12,"InChI=1/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)",C5H4N4OS,,,,,,SXRSXYWROQWSGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.076,246-300-7,24530-67-4,N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide,N-{3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl}acetamide,COc1ccc(NC(=O)C)cc1N(CCO)CCO,COc1ccc(NC(=O)C)cc1N(CCO)CCO,"InChI=1/C13H20N2O4/c1-10(18)14-11-3-4-13(19-2)12(9-11)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8H2,1-2H3,(H,14,18)",C13H20N2O4,,,,,,UIQVGOZJVVAPOV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.795,250-390-3,30924-31-3,Cafaminol,"8-[(2-hydroxyethyl)(methyl)amino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione",CN(CCO)c1nc2N(C)C(=O)N(C)C(=O)c2n1C,CN(CCO)c1nc2N(C)C(=O)N(C)C(=O)c2n1C,"InChI=1/C11H17N5O3/c1-13(5-6-17)10-12-8-7(14(10)2)9(18)16(4)11(19)15(8)3/h17H,5-6H2,1-4H3",C11H17N5O3,,,,,,ZGNRRVAPHPANFI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.796,250-391-9,30925-07-6,L-cystine dihydrochloride,L-cystine dihydrochloride,Cl.Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,Cl.Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,"InChI=1/C6H12N2O4S2.2ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*1H",C6H12N2O4S2.2ClH,,,,,,HHGZUQPEIHGQST-RGVONZFCSA-N,,,,,,,,,,,
100.045.797,250-392-4,30926-22-8,"4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid","4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid",OC(=O)c1ccc(cc1)N=NC3C(\\C)=N/N(c2ccccc2)C3=O,OC(=O)c1ccc(cc1)N=NC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C17H14N4O3/c1-11-15(16(22)21(20-11)14-5-3-2-4-6-14)19-18-13-9-7-12(8-10-13)17(23)24/h2-10,15H,1H3,(H,23,24)",C17H14N4O3,,,,,,RCYTWTBFGNSMQC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.801,250-397-1,30932-41-3,"2,2-diphenylcyclopropanecarbonitrile","2,2-diphenylcyclopropanecarbonitrile",N#CC1CC1(c2ccccc2)c3ccccc3,N#CC1CC1(c2ccccc2)c3ccccc3,"InChI=1/C16H13N/c17-12-15-11-16(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2",C16H13N,,,,,,DHLFXGMJDRNWME-UHFFFAOYSA-N,,,,,,,,,,,
100.045.805,250-401-1,30947-30-9,"Nickel(2+) diethyl bis[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate]","ethyl hydrogen (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate",CCOP(=O)(O)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCOP(=O)(O)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C17H29O4P/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3,(H,19,20)",C17H29O4P.1/2Ni,,,,,,WBSRIXCTCFFHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.808,250-404-8,30951-95-2,"3,4-dimethylhex-3-ene","3,4-dimethylhex-3-ene",CC(CC)=C(C)CC,CC(CC)=C(C)CC,"InChI=1/C8H16/c1-5-7(3)8(4)6-2/h5-6H2,1-4H3",C8H16,,,,,,XTUXVDJHGIEBAA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.816,250-413-7,30982-36-6,"2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl cinnamate","2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 3-phenylacrylate",CC1(C)C2CC=C(CCOC(=O)\\C=C\\c3ccccc3)C1C2,CC1(C)C2CC=C(CCOC(=O)\C=C\c3ccccc3)C1C2,"InChI=1/C20H24O2/c1-20(2)17-10-9-16(18(20)14-17)12-13-22-19(21)11-8-15-6-4-3-5-7-15/h3-9,11,17-18H,10,12-14H2,1-2H3",C20H24O2,,,,,,STMQAGGBZBGMNQ-DHZHZOJOSA-N,,,,,,,,,,,
100.045.817,250-414-2,30982-97-9,2-mercaptoethyl nonan-1-oate,2-sulfanylethyl nonanoate,CCCCCCCCC(=O)OCCS,CCCCCCCCC(=O)OCCS,"InChI=1/C11H22O2S/c1-2-3-4-5-6-7-8-11(12)13-9-10-14/h14H,2-10H2,1H3",C11H22O2S,,,,,,JDUBWWBPEXAGDB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.820,250-417-9,30986-62-0,"Thiazolidine-2,4-dicarboxylic, acid compound with L-arginine (1:1)","1,3-thiazolidine-2,4-dicarboxylic acid - L-arginine (1:1)",N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C1CSC(N1)C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C1CSC(N1)C(=O)O,"InChI=1/C6H14N4O2.C5H7NO4S/c7-4(5(11)12)2-1-3-10-6(8)9;7-4(8)2-1-11-3(6-2)5(9)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,6H,1H2,(H,7,8)(H,9,10)",C6H14N4O2.C5H7NO4S,,,,,,LUCWYYXUZVULSK-WCCKRBBISA-N,,,,,,,,,,,
100.045.822,250-420-5,30989-07-2,Tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] borate,tris{2-[2-(2-ethoxyethoxy)ethoxy]ethyl} borate,CCOCCOCCOCCOB(OCCOCCOCCOCC)OCCOCCOCCOCC,CCOCCOCCOCCOB(OCCOCCOCCOCC)OCCOCCOCCOCC,"InChI=1/C24H51BO12/c1-4-26-7-10-29-13-16-32-19-22-35-25(36-23-20-33-17-14-30-11-8-27-5-2)37-24-21-34-18-15-31-12-9-28-6-3/h4-24H2,1-3H3",C24H51BO12,,,,,,YFJWCDDEPLQFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.790,218-468-1,2157-39-3,5-chloroisophthalic acid,5-chloroisophthalic acid,OC(=O)c1cc(Cl)cc(c1)C(=O)O,OC(=O)c1cc(Cl)cc(c1)C(=O)O,"InChI=1/C8H5ClO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5ClO4,,,,,,PLPFTLXIQQYOMW-UHFFFAOYSA-N,,,,,,,,,,,
100.016.799,218-478-6,2158-88-5,Ethyl 3-hydroxy-2-thenoate,ethyl 3-hydroxythiophene-2-carboxylate,CCOC(=O)c1sccc1O,CCOC(=O)c1sccc1O,"InChI=1/C7H8O3S/c1-2-10-7(9)6-5(8)3-4-11-6/h3-4,8H,2H2,1H3",C7H8O3S,,,,,,CPNCRCBYQSHUPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.800,218-479-1,2160-89-6,"2,2,2-trifluoro-1-(trifluoromethyl)ethyl acrylate","2,2,2-trifluoro-1-(trifluoromethyl)ethyl acrylate",FC(F)(F)C(OC(=O)C=C)C(F)(F)F,FC(F)(F)C(OC(=O)C=C)C(F)(F)F,"InChI=1/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2",C6H4F6O2,,,,,,MNSWITGNWZSAMC-UHFFFAOYSA-N,,,,,,,,,,,
100.016.801,218-480-7,2160-93-2,"2,2'-[(1,1-dimethylethyl)imino]bisethanol","2,2'-(tert-butylimino)diethanol",CC(C)(C)N(CCO)CCO,CC(C)(C)N(CCO)CCO,"InChI=1/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3",C8H19NO2,,,,,,XHJGXOOOMKCJPP-UHFFFAOYSA-N,,,,,,,,,,,
100.016.804,218-483-3,2161-90-2,"1-methoxycyclohexa-1,3-diene","1-methoxycyclohexa-1,3-diene",COC1=CC=CCC1,COC1=CC=CCC1,"InChI=1/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",C7H10O,,,,,,LNRUJSUKKBJFOM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.807,218-487-5,2162-74-5,"Bis(2,6-diisopropylphenyl)carbodiimide","N,N'-bis(2,6-diisopropylphenyl)carbodiimide",CC(C)c1cccc(C(C)C)c1N=C=Nc2c(cccc2C(C)C)C(C)C,CC(C)c1cccc(C(C)C)c1N=C=Nc2c(cccc2C(C)C)C(C)C,"InChI=1/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3",C25H34N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13695,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.807,XLDBGFGREOMWSL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.810,218-490-1,2162-99-4,"1,8-dichlorooctane","1,8-dichlorooctane",ClCCCCCCCCCl,ClCCCCCCCCCl,InChI=1/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2,C8H16Cl2,,,,,,WXYMNDFVLNUAIA-UHFFFAOYSA-N,,,,,,,,,,,
100.016.811,218-491-7,2163-00-0,"1,6-dichlorohexane","1,6-dichlorohexane",ClCCCCCCCl,ClCCCCCCCl,InChI=1/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2,C6H12Cl2,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5784,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.811,OVISMSJCKCDOPU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.517,223-667-1,4013-95-0,"N,N'-dibutylethylenediamine","N,N'-dibutylethane-1,2-diamine",CCCCNCCNCCCC,CCCCNCCNCCCC,"InChI=1/C10H24N2/c1-3-5-7-11-9-10-12-8-6-4-2/h11-12H,3-10H2,1-2H3",C10H24N2,,,,,,YRGVKPIUZUOJSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.522,223-672-9,4016-14-2,"2,3-epoxypropyl isopropyl ether",2-(isopropoxymethyl)oxirane,CC(C)OCC1CO1,CC(C)OCC1CO1,"InChI=1/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3",C6H12O2,,,,,,NWLUZGJDEZBBRH-UHFFFAOYSA-N,,,,,,,,,,,
100.021.524,223-675-5,4016-22-2,Sodium 1-methyl 2-sulphonatotetradecanoate,sodium 1-methoxy-1-oxotetradecane-2-sulfonate,[Na+].CCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-],"InChI=1/C15H30O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14(15(16)20-2)21(17,18)19;/h14H,3-13H2,1-2H3,(H,17,18,19);/q;+1/p-1",C15H30O5S.Na,,,,,,NPNCUQAIXIQSKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.021.525,223-676-0,4016-24-4,Sodium 1-methoxy-1-oxohexadecane-2-sulphonate,sodium 1-methoxy-1-oxohexadecane-2-sulfonate,[Na+].CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-],"InChI=1/C17H34O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17(18)22-2)23(19,20)21;/h16H,3-15H2,1-2H3,(H,19,20,21);/q;+1/p-1",C17H34O5S.Na,,,,,,HXWNOTVHFBYTKF-UHFFFAOYSA-M,,,,,,,,,,,
100.021.531,223-682-3,4017-93-0,"[1R-(1a,3ß,4ß,6a)]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",CC1CC2C(CC1O)C2(C)C,CC1CC2C(CC1O)C2(C)C,"InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,WHXOMZVLSNHION-UHFFFAOYSA-N,,,,,,,,,,,
100.021.536,223-688-6,4023-65-8,"(E)-1-propene-1,2,3-tricarboxylic acid","prop-1-ene-1,2,3-tricarboxylic acid",OC(=O)C\\C(=C/C(=O)O)\\C(=O)O,OC(=O)C\C(=C/C(=O)O)\C(=O)O,"InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)",C6H6O6,,,,,,GTZCVFVGUGFEME-HNQUOIGGSA-N,,,,,,,,,,,
100.021.541,223-693-3,4025-77-8,(chlorosulphonyl)acetyl chloride,(chlorosulfonyl)acetyl chloride,ClC(=O)CS(=O)(=O)Cl,ClC(=O)CS(=O)(=O)Cl,"InChI=1/C2H2Cl2O3S/c3-2(5)1-8(4,6)7/h1H2",C2H2Cl2O3S,,,,,,MCFSNYMQISXQTF-UHFFFAOYSA-N,,,,,,,,,,,
100.021.544,223-697-5,4026-18-0,2-hydroxy-3-methylbutyric acid,2-hydroxy-3-methylbutanoic acid,CC(C)C(O)C(=O)O,CC(C)C(O)C(=O)O,"InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)",C5H10O3,,,,,,NGEWQZIDQIYUNV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.548,223-702-0,4027-57-0,Ethyl 5-methyl-1H-pyrazole-3-carboxylate,ethyl 5-methyl-1H-pyrazole-3-carboxylate,CCOC(=O)c1cc(C)[nH]n1,CCOC(=O)c1cc(C)[nH]n1,"InChI=1/C7H10N2O2/c1-3-11-7(10)6-4-5(2)8-9-6/h4H,3H2,1-2H3,(H,8,9)",C7H10N2O2,,,,,,BOTXQJAHRCGJEG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.798,250-394-5,30926-51-3,Allyl 2-acetylacetoacetate,allyl 2-acetyl-3-oxobutanoate,CC(=O)C(C(=O)C)C(=O)OCC=C,CC(=O)C(C(=O)C)C(=O)OCC=C,"InChI=1/C9H12O4/c1-4-5-13-9(12)8(6(2)10)7(3)11/h4,8H,1,5H2,2-3H3",C9H12O4,,,,,,VYYXNEFTRUNFCV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.803,250-399-2,30937-53-2,Rhenium pentabromide,-,[Br-].[Br-].[Br-].[Br-].[Br-].[Re+2],[Br-].[Br-].[Br-].[Br-].[Br-].[Re+2],InChI=1/5BrH.Re/h5*1H;/q;;;;;+2/p-5,Br5Re,,,,,,HJKKKDJYYYLOHR-UHFFFAOYSA-I,,,,,,,,,,,
100.045.809,250-405-3,30960-39-5,"[3R-(3a,3aß,7ß,8aa)]-1,2,3,7,8,8a-hexahydro-3,6,8,8-tetramethyl-4H-3a,7-methanoazulen-4-one",cedr-8-en-10-one,CC1CCC2C(C)(C)C3CC12C(=O)C=C3C,CC1CCC2C(C)(C)C3CC12C(=O)C=C3C,"InChI=1/C15H22O/c1-9-7-13(16)15-8-11(9)14(3,4)12(15)6-5-10(15)2/h7,10-12H,5-6,8H2,1-4H3",C15H22O,,,,,,BGDCOEHXBFJKSF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.823,250-421-0,30992-29-1,"N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-alanine",N-(tert-butoxycarbonyl)-2-methylalanine,CC(C)(C)OC(=O)NC(C)(C)C(=O)O,CC(C)(C)OC(=O)NC(C)(C)C(=O)O,"InChI=1/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)",C9H17NO4,,,,,,MFNXWZGIFWJHMI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.824,250-422-6,30995-65-4,Sodium ethylbenzenesulphonate,sodium 2-ethylbenzenesulfonate,[Na+].CCc1ccccc1S(=O)(=O)[O-],[Na+].CCc1ccccc1S(=O)(=O)[O-],"InChI=1/C8H10O3S.Na/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h3-6H,2H2,1H3,(H,9,10,11);/q;+1/p-1",C8H10O3S.Na,,,,,,UXDOVWDLXFKBOV-UHFFFAOYSA-M,,,,,,,,,,,
100.045.835,250-434-1,31024-35-8,3-(dimethoxymethylsilyl)-N-methylpropylamine,3-[(dimethoxymethyl)silyl]-N-methylpropan-1-amine,CNCCC[SiH2]C(OC)OC,CNCCC[SiH2]C(OC)OC,"InChI=1/C7H19NO2Si/c1-8-5-4-6-11-7(9-2)10-3/h7-8H,4-6,11H2,1-3H3",C7H19NO2Si,,,,,,WJZVVSWVEGRDSW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.744,244-835-0,22199-70-8,"L-glutamic acid, compound with 2-(dimethylamino)ethanol (1:1)",L-glutamic acid - 2-(dimethylamino)ethanol (1:1),CN(C)CCO.N[C@@H](CCC(=O)O)C(=O)O,CN(C)CCO.N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C5H9NO4.C4H11NO/c6-3(5(9)10)1-2-4(7)8;1-5(2)3-4-6/h3H,1-2,6H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3",C5H9NO4.C4H11NO,,,,,,IKFZABILOXSNSM-DFWYDOINSA-N,,,,,,,,,,,
100.042.377,246-631-7,25115-74-6,4-oxo-1-phenylcyclohexanenitrile,4-oxo-1-phenylcyclohexanecarbonitrile,O=C1CCC(CC1)(C#N)c2ccccc2,O=C1CCC(CC1)(C#N)c2ccccc2,"InChI=1/C13H13NO/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5H,6-9H2",C13H13NO,,,,,,GKXOABVSZWCJJK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.382,246-636-4,25124-87-2,"3-[[4-[(p-ethoxyphenyl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonic acid","3-({4-[(4-ethoxyphenyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)benzenesulfonic acid",COc3cc(N=Nc1ccc(OCC)cc1)c(cc3N=Nc2cccc(c2)S(O)(=O)=O)OC,COc3cc(N=Nc1ccc(OCC)cc1)c(cc3N=Nc2cccc(c2)S(O)(=O)=O)OC,"InChI=1/C22H22N4O6S/c1-4-32-17-10-8-15(9-11-17)23-25-19-13-22(31-3)20(14-21(19)30-2)26-24-16-6-5-7-18(12-16)33(27,28)29/h5-14H,4H2,1-3H3,(H,27,28,29)",C22H22N4O6S,,,,,,OFLKKXQQHQTLJM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.387,246-642-7,25131-98-0,3-[p-(hexyloxy)phenyl]propionic acid,3-[4-(hexyloxy)phenyl]propanoic acid,CCCCCCOc1ccc(CCC(=O)O)cc1,CCCCCCOc1ccc(CCC(=O)O)cc1,"InChI=1/C15H22O3/c1-2-3-4-5-12-18-14-9-6-13(7-10-14)8-11-15(16)17/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,16,17)",C15H22O3,,,,,,XSLSHDVWFGILIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.388,246-643-2,25134-08-1,Dichlorobenzoyl chloride,"2,3-dichlorobenzoyl chloride",ClC(=O)c1cccc(Cl)c1Cl,ClC(=O)c1cccc(Cl)c1Cl,InChI=1/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,C7H3Cl3O,,,,,,YBONBWJSFMTXLE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.389,246-644-8,25134-21-8,"1,2,3,6-tetrahydromethyl-3,6-methanophthalic anhydride","8-methyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione",C[C@H]1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)OC3=O,C[C@H]1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)OC3=O,"InChI=1/C10H10O3/c1-4-5-2-3-6(4)8-7(5)9(11)13-10(8)12/h2-8H,1H3",C10H10O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11950,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.389,SBKPSHZVULRXED-ZXVYDBTHSA-N,,,,,,,,,,,
100.042.391,246-646-9,25136-55-4,"Dimethyl-1,4-dioxane","2,2-dimethyl-1,4-dioxane",CC1(C)COCCO1,CC1(C)COCCO1,"InChI=1/C6H12O2/c1-6(2)5-7-3-4-8-6/h3-5H2,1-2H3",C6H12O2,,,,,,HGRVTNYKVLTPAB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.396,246-652-1,25144-04-1,trans-2-methylcyclopentan-1-ol,2-methylcyclopentanol,C[C@H]1CCC[C@@H]1O,C[C@H]1CCC[C@@H]1O,"InChI=1/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3",C6H12O,,,,,,BVIJQMCYYASIFP-WDSKDSINSA-N,,,,,,,,,,,
100.042.403,246-660-5,25150-28-1,"3-[[4-[(6,7-dichlorobenzothiazol-2-yl)azo]phenyl]ethylamino]propiononitrile","3-[{4-[(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}(ethyl)amino]propanenitrile",CCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(Cl)c(Cl)c3s2,CCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(Cl)c(Cl)c3s2,"InChI=1/C18H15Cl2N5S/c1-2-25(11-3-10-21)13-6-4-12(5-7-13)23-24-18-22-15-9-8-14(19)16(20)17(15)26-18/h4-9H,2-3,11H2,1H3",C18H15Cl2N5S,,,,,,WFRRWBDTRFNKAW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.128,246-357-8,24614-40-2,Sodium 4-decyl hydrogen sulphonatosuccinate,sodium 1-carboxy-3-(decyloxy)-3-oxopropane-1-sulfonate,[Na+].CCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)[O-],[Na+].CCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)[O-],"InChI=1/C14H26O7S.Na/c1-2-3-4-5-6-7-8-9-10-21-13(15)11-12(14(16)17)22(18,19)20;/h12H,2-11H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1",C14H26O7S.Na,,,,,,PZBWSZNIZHNZKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.091,248-516-7,27541-88-4,"2,2-dichloro-N-(3-chloro-1,4-naphthoquinon-2-yl)acetamide","2,2-dichloro-N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide",ClC(Cl)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O,ClC(Cl)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O,"InChI=1/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)",C12H6Cl3NO3,,,,,,ZIEWAMOXCOLNSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.098,248-524-0,27557-84-2,4-methoxy-2-methylbutan-2-ol,4-methoxy-2-methylbutan-2-ol,COCCC(C)(C)O,COCCC(C)(C)O,"InChI=1/C6H14O2/c1-6(2,7)4-5-8-3/h7H,4-5H2,1-3H3",C6H14O2,,,,,,LHUPIZXVJQEKCY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.101,248-527-7,27563-65-1,3-chlorophthalic acid,3-chlorophthalic acid,OC(=O)c1cccc(Cl)c1C(=O)O,OC(=O)c1cccc(Cl)c1C(=O)O,"InChI=1/C8H5ClO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5ClO4,,,,,,BKFXSOCDAQACQM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.104,248-530-3,27564-03-0,"1,3,3-trimethyl-2-[[(2-nitrophenyl)hydrazono]methyl]-3H-indolium chloride","1,3,3-trimethyl-2-[(2-nitrophenyl)carbonohydrazonoyl]-3H-indolium chloride",[Cl-].[O-][N+](=O)c3ccccc3NN=C\\C2=[N+](/C)c1ccccc1C2(C)C,[Cl-].[O-][N+](=O)c3ccccc3NN=C\C2=[N+](/C)c1ccccc1C2(C)C,"InChI=1/C18H18N4O2.ClH/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;/h4-12H,1-3H3;1H",C18H19N4O2.Cl,,,,,,JVVULWCPWOSDLK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.106,248-532-4,27569-09-1,3-methyl-4-(pyrrolidin-1-yl)benzenediazonium hexafluoroarsenate,3-methyl-4-pyrrolidin-1-ylbenzenediazonium hexafluoroarsenate(1-),Cc1cc(ccc1N2CCCC2)[N+]#N.F[As-](F)(F)(F)(F)F,Cc1cc(ccc1N2CCCC2)[N+]#N.F[As-](F)(F)(F)(F)F,"InChI=1/C11H14N3.AsF6/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;2-1(3,4,5,6)7/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1",C11H14N3.AsF6,,,,,,OUCQCNMAAYRJTH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.110,248-537-1,27574-80-7,"1,1'-(dodecane-1,12-diyl)bis-1H-pyrrole-2,5-dione","1,1'-dodecane-1,12-diylbis(1H-pyrrole-2,5-dione)",O=C1C=CC(=O)N1CCCCCCCCCCCCN2C(=O)C=CC2=O,O=C1C=CC(=O)N1CCCCCCCCCCCCN2C(=O)C=CC2=O,"InChI=1/C20H28N2O4/c23-17-11-12-18(24)21(17)15-9-7-5-3-1-2-4-6-8-10-16-22-19(25)13-14-20(22)26/h11-14H,1-10,15-16H2",C20H28N2O4,,,,,,OEUTXEVXKFXZPB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.114,248-541-3,27579-33-5,"2,3-bis(1-oxopropoxy)propyl stearate","2,3-bis(propionyloxy)propyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CC,"InChI=1/C27H50O6/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)32-23-24(33-26(29)6-3)22-31-25(28)5-2/h24H,4-23H2,1-3H3",C27H50O6,,,,,,OJHVHISDCQKHDC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.116,248-543-4,27580-14-9,"5-(N,N-diethylaminosulphonyl)-2-methoxybenzenediazonium chloride",5-(diethylsulfamoyl)-2-methoxybenzenediazonium chloride,[Cl-].CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)[N+]#N,[Cl-].CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)[N+]#N,"InChI=1/C11H16N3O3S.ClH/c1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1",C11H16N3O3S,,,,,,KKLHKLGGOAYNBC-UHFFFAOYSA-M,,,,,,,,,,,
100.044.122,248-550-2,27591-42-0,Oxazidione,"2-(morpholin-4-ylmethyl)-2-phenyl-1H-indene-1,3(2H)-dione",O=C1c2ccccc2C(=O)C1(CN3CCOCC3)c4ccccc4,O=C1c2ccccc2C(=O)C1(CN3CCOCC3)c4ccccc4,"InChI=1/C20H19NO3/c22-18-16-8-4-5-9-17(16)19(23)20(18,15-6-2-1-3-7-15)14-21-10-12-24-13-11-21/h1-9H,10-14H2",C20H19NO3,,,,,,YYRYCTNXXHOENE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.001,249-517-5,29214-57-1,"3-acetylheptane-2,6-dione","3-acetylheptane-2,6-dione",CC(=O)CCC(C(=O)C)C(=O)C,CC(=O)CCC(C(=O)C)C(=O)C,"InChI=1/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3",C9H14O3,,,,,,RQZJIXZNJBCGQC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.002,249-518-0,29214-60-6,Ethyl 2-acetyloctanoate,ethyl 2-acetyloctanoate,CCCCCCC(C(=O)C)C(=O)OCC,CCCCCCC(C(=O)C)C(=O)OCC,"InChI=1/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h11H,4-9H2,1-3H3",C12H22O3,,,,,,BRGRZPQESQKATK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.006,249-522-2,29218-27-7,Toloxatone,"5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one",Cc1cccc(c1)N2CC(CO)OC2=O,Cc1cccc(c1)N2CC(CO)OC2=O,"InChI=1/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3",C11H13NO3,,,,,,MXUNKHLAEDCYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.789,244-884-8,22273-65-0,4-anilinofuran-2(5H)-one,4-anilinofuran-2(5H)-one,O=C1OCC(=C1)Nc2ccccc2,O=C1OCC(=C1)Nc2ccccc2,"InChI=1/C10H9NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h1-6,11H,7H2",C10H9NO2,,,,,,CMEWGTYCQMDKHR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.799,244-895-8,22288-78-4,Methyl 3-aminothiophene-2-carboxylate,methyl 3-aminothiophene-2-carboxylate,COC(=O)c1sccc1N,COC(=O)c1sccc1N,"InChI=1/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3",C6H7NO2S,,,,,,TWEQNZZOOFKOER-UHFFFAOYSA-N,,,,,,,,,,,
100.045.825,250-423-1,30997-91-2,D-mannitol monooleate,1-O-oleoyl-D-mannitol,CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H46O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h9-10,20-21,23-27,29-30H,2-8,11-19H2,1H3",C24H46O7,,,,,,WERKSKAQRVDLDW-MGMRWDBRSA-N,,,,,,,,,,,
100.045.828,250-426-8,31001-77-1,3-(dimethoxymethylsilyl)propanethiol,3-[dimethoxy(methyl)silyl]propane-1-thiol,CO[Si](C)(CCCS)OC,CO[Si](C)(CCCS)OC,"InChI=1/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3",C6H16O2SSi,,,,,,IKYAJDOSWUATPI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.829,250-427-3,31002-79-6,Triamcinolone benetonide,"2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl 3-(benzoylamino)-2-methylpropanoate",CC(CNC(=O)c1ccccc1)C(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]34C,CC(CNC(=O)c1ccccc1)C(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]34C,"InChI=1/C35H42FNO8/c1-20(18-37-29(41)21-9-7-6-8-10-21)30(42)43-19-27(40)35-28(44-31(2,3)45-35)16-25-24-12-11-22-15-23(38)13-14-32(22,4)34(24,36)26(39)17-33(25,35)5/h6-10,13-15,20,24-26,28,39H,11-12,16-19H2,1-5H3,(H,37,41)",C35H42FNO8,,,,,,GUYPYYARYIIWJZ-CYEPYHPTSA-N,,,,,,,,,,,
100.045.830,250-428-9,31004-27-0,3-chlorofuran-2(5H)-one,3-chlorofuran-2(5H)-one,ClC1=CCOC1=O,ClC1=CCOC1=O,"InChI=1/C4H3ClO2/c5-3-1-2-7-4(3)6/h1H,2H2",C4H3ClO2,,,,,,GCVGDGFZLSSUIO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.831,250-429-4,31005-02-4,7-ethoxycoumarin,7-ethoxy-2H-chromen-2-one,CCOc1ccc2C=CC(=O)Oc2c1,CCOc1ccc2C=CC(=O)Oc2c1,"InChI=1/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3",C11H10O3,,,,,,LIFAQMGORKPVDH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.834,250-433-6,31017-44-4,Cadmium dodecylbenzenesulphonate,cadmium bis(2-dodecylbenzenesulfonate),[Cd+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Cd+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C18H30O3S.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2",C18H30O3S.1/2Cd,,,,,,GKNATLRKQMQIFQ-UHFFFAOYSA-L,,,,,,,,,,,
100.045.836,250-435-7,31024-46-1,N-[3-(trimethoxysilyl)propyl]allylamine,N-[3-(trimethoxysilyl)propyl]prop-2-en-1-amine,CO[Si](CCCNCC=C)(OC)OC,CO[Si](CCCNCC=C)(OC)OC,"InChI=1/C9H21NO3Si/c1-5-7-10-8-6-9-14(11-2,12-3)13-4/h5,10H,1,6-9H2,2-4H3",C9H21NO3Si,,,,,,UBVMBXTYMSRUDX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.390,246-645-3,25136-53-2,(allyloxy)propanediol,"1-(allyloxy)propane-1,1-diol",CCC(O)(O)OCC=C,CCC(O)(O)OCC=C,"InChI=1/C6H12O3/c1-3-5-9-6(7,8)4-2/h3,7-8H,1,4-5H2,2H3",C6H12O3,,,,,,CSQCBBVAIGZHBS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.395,246-651-6,25141-05-3,"1-ethyl-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate","1-ethyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],"InChI=1/C24H49N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27;1-2-6-7(3,4)5/h27H,3-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C24H49N2O.C2H5O4S,,,,,,KPDCZDUZLORUDD-UHFFFAOYSA-M,,,,,,,,,,,
100.042.399,246-655-8,25148-68-9,"N-methylbenzene-1,2-diamine dihydrochloride","N-methylbenzene-1,2-diamine dihydrochloride",Cl.Cl.CNc1ccccc1N,Cl.Cl.CNc1ccccc1N,"InChI=1/C7H10N2.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5,9H,8H2,1H3;2*1H",C7H10N2.2ClH,,,,,,DKEONVNYXODZRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.402,246-658-4,25150-27-0,"6,7-dichlorobenzothiazol-2-amine","6,7-dichloro-1,3-benzothiazol-2-amine",Nc1nc2ccc(Cl)c(Cl)c2s1,Nc1nc2ccc(Cl)c(Cl)c2s1,"InChI=1/C7H4Cl2N2S/c8-3-1-2-4-6(5(3)9)12-7(10)11-4/h1-2H,(H2,10,11)",C7H4Cl2N2S,,,,,,YKHFWFMWXBZUHK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.407,246-664-7,25151-33-1,"1-methyl-1,2-ethanediyl diacrylate","propane-1,2-diyl bisacrylate",CC(COC(=O)C=C)OC(=O)C=C,CC(COC(=O)C=C)OC(=O)C=C,"InChI=1/C9H12O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h4-5,7H,1-2,6H2,3H3",C9H12O4,,,,,,VFZKVQVQOMDJEG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.365,248-817-3,28069-74-1,(Z)-1-(1-ethoxyethoxy)hex-3-ene,1-(1-ethoxyethoxy)hex-3-ene,CCOC(C)OCC\\C=C/CC,CCOC(C)OCC\C=C/CC,"InChI=1/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3",C10H20O2,,,,,,PAEBAEDUARAOSG-SREVYHEPSA-N,,,,,,,,,,,
100.045.875,250-478-1,31127-82-9,Iodoxamic acid,amino(oxo)acetyl iodide,IC(=O)C(N)=O,IC(=O)C(N)=O,"InChI=1/C2H2INO2/c3-1(5)2(4)6/h(H2,4,6)",C26H26I6N2O10,,,,,,RKZXBRPVVXPYDU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.877,250-480-2,31138-65-5,Sodium glucoheptonate,"sodium 2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name)",[Na+].OCC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Na+].OCC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1",C7H14O8.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/8874,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.877,FMYOMWCQJXWGEN-LEHRSQHZSA-M,,,,,,,,,,,
100.021.549,223-703-6,4027-63-8,"Potassium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","potassium 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",[K+].CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)[O-],[K+].CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)[O-],"InChI=1/C8H11NO3S.K/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1",C8H11NO3S.K,,,,,,YCVAUSPCVZIJLE-IBTYICNHSA-M,,,,,,,,,,,
100.021.552,223-706-2,4028-23-3,Allylchlorodimethylsilane,allyl(chloro)dimethylsilane,C[Si](C)(Cl)CC=C,C[Si](C)(Cl)CC=C,"InChI=1/C5H11ClSi/c1-4-5-7(2,3)6/h4H,1,5H2,2-3H3",C5H11ClSi,,,,,,KMVZWUQHMJAWSY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.556,223-710-4,4028-94-8,"N,N'-bis(9,10-dihydro-9,10-dioxo-1-anthryl)phthaldiamide","N,N'-bis(9,10-dioxo-9,10-dihydroanthracen-1-yl)phthalamide",O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccccc4C(=O)Nc5cccc6C(=O)c7ccccc7C(=O)c56,O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccccc4C(=O)Nc5cccc6C(=O)c7ccccc7C(=O)c56,"InChI=1/C36H20N2O6/c39-31-19-9-1-3-11-21(19)33(41)29-25(31)15-7-17-27(29)37-35(43)23-13-5-6-14-24(23)36(44)38-28-18-8-16-26-30(28)34(42)22-12-4-2-10-20(22)32(26)40/h1-18H,(H,37,43)(H,38,44)",C36H20N2O6,,,,,,WMFOCQJARALVQT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.559,223-714-6,4032-26-2,Diquat dichloride,"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium dichloride",[Cl-].[Cl-].C1C[n+]2ccccc2c3cccc[n+]13,[Cl-].[Cl-].C1C[n+]2ccccc2c3cccc[n+]13,"InChI=1/C12H12N2.2ClH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2",C12H12N2.2Cl,,,,,,SKYNPRKUXHXZFJ-UHFFFAOYSA-L,,,,,,,,,,,
100.021.561,223-716-7,4033-40-3,N2-acetyl-L-asparagine,N~2~-acetyl-L-asparagine,CC(=O)N[C@@H](CC(=O)N)C(=O)O,CC(=O)N[C@@H](CC(=O)N)C(=O)O,"InChI=1/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)",C6H10N2O4,,,,,,HXFOXFJUNFFYMO-BYPYZUCNSA-N,,,,,,,,,,,
100.020.195,222-214-5,3388-01-0,Bis[(tetrahydrofuran-2-yl)methyl] phthalate,bis(tetrahydrofuran-2-ylmethyl) phthalate,O=C(OCC1CCCO1)c2ccccc2C(=O)OCC3CCCO3,O=C(OCC1CCCO1)c2ccccc2C(=O)OCC3CCCO3,"InChI=1/C18H22O6/c19-17(23-11-13-5-3-9-21-13)15-7-1-2-8-16(15)18(20)24-12-14-6-4-10-22-14/h1-2,7-8,13-14H,3-6,9-12H2",C18H22O6,,,,,,FVNABQUYTVWAOS-UHFFFAOYSA-N,,,,,,,,,,,
100.020.201,222-220-8,3389-71-7,"1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene",ClC1=C(Cl)C2(Cl)C=CC1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C=CC1(Cl)C2(Cl)Cl,"InChI=1/C7H2Cl6/c8-3-4(9)6(11)2-1-5(3,10)7(6,12)13/h1-2H",C7H2Cl6,,,,,,IHAXIFZOERJWDF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.203,222-222-9,3390-61-2,"1,3,5-trimethyl-1,1,3,5,5-pentaphenyltrisiloxane","1,3,5-trimethyl-1,1,3,5,5-pentaphenyltrisiloxane",C[Si](O[Si](C)(c1ccccc1)c2ccccc2)(O[Si](C)(c3ccccc3)c4ccccc4)c5ccccc5,C[Si](O[Si](C)(c1ccccc1)c2ccccc2)(O[Si](C)(c3ccccc3)c4ccccc4)c5ccccc5,"InChI=1/C33H34O2Si3/c1-36(29-19-9-4-10-20-29,30-21-11-5-12-22-30)34-38(3,33-27-17-8-18-28-33)35-37(2,31-23-13-6-14-24-31)32-25-15-7-16-26-32/h4-28H,1-3H3",C33H34O2Si3,,,,,,PHLASVAENYNAOW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.209,222-229-7,3392-05-0,Succinimido (S)-2-[(tert-butoxycarbonyl)amino]propionate,"2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)alaninate",CC(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,CC(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,"InChI=1/C12H18N2O6/c1-7(13-11(18)19-12(2,3)4)10(17)20-14-8(15)5-6-9(14)16/h7H,5-6H2,1-4H3,(H,13,18)",C12H18N2O6,,,,,,COMUWNFVTWKSDT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.217,222-238-6,3393-64-4,4-hydroxy-3-methylbutan-2-one,4-hydroxy-3-methylbutan-2-one,CC(CO)C(=O)C,CC(CO)C(=O)C,"InChI=1/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3",C5H10O2,,,,,,VVSRECWZBBJOTG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.221,222-242-8,5/04/3394,1-(2-naphthyl)-2-thiourea,1-(2-naphthyl)thiourea,NC(=S)Nc1ccc2ccccc2c1,NC(=S)Nc1ccc2ccccc2c1,"InChI=1/C11H10N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14)",C11H10N2S,,,,,,JCGVEGFEGJLZDW-UHFFFAOYSA-N,,,,,,,,,,,
100.020.222,222-243-3,3395-35-5,"(±)-2,3-dihydro-1H-pyrrole-2-carboxylic acid","2,5-dihydro-1H-pyrrole-2-carboxylic acid",OC(=O)C1NCC=C1,OC(=O)C1NCC=C1,"InChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)",C5H7NO2,,,,,,OMGHIGVFLOPEHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.223,222-244-9,3395-83-3,p-(dimethoxymethyl)toluene,1-(dimethoxymethyl)-4-methylbenzene,COC(OC)c1ccc(C)cc1,COC(OC)c1ccc(C)cc1,"InChI=1/C10H14O2/c1-8-4-6-9(7-5-8)10(11-2)12-3/h4-7,10H,1-3H3",C10H14O2,,,,,,MKZGLAOLSFUPRT-UHFFFAOYSA-N,,,,,,,,,,,
100.020.225,222-247-5,3395-91-3,Methyl 3-bromopropionate,methyl 3-bromopropanoate,COC(=O)CCBr,COC(=O)CCBr,"InChI=1/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3",C4H7BrO2,,,,,,KQEVIFKPZOGBMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.226,222-248-0,3396-11-0,Cesium acetate,caesium acetate,CC(=O)O[Cs],CC(=O)O[Cs],"InChI=1/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4O2.Cs,,,,,,ZOAIGCHJWKDIPJ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.227,222-249-6,3396-14-3,"Cyclobutane-1,2-dicarboxylic acid","cyclobutane-1,2-dicarboxylic acid",OC(=O)C1CCC1C(=O)O,OC(=O)C1CCC1C(=O)O,"InChI=1/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)",C6H8O4,,,,,,SUSAGCZZQKACKE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.405,246-662-6,25151-00-2,Butyltris[(1-oxododecyl)oxy]stannane,butyl[tris(dodecanoyloxy)]stannane,CCCCCCCCCCCC(=O)O[Sn](CCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[Sn](CCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1/3C12H24O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3/rC40H78O6Sn/c1-5-9-13-16-19-22-25-28-31-34-38(41)44-47(37-12-8-4,45-39(42)35-32-29-26-23-20-17-14-10-6-2)46-40(43)36-33-30-27-24-21-18-15-11-7-3/h5-37H2,1-4H3",C40H78O6Sn,,,,,,FKXJWELJXMKBDI-UHFFFAOYSA-K,,,,,,,,,,,
100.042.413,246-671-5,25154-38-5,Piperazineethanol,2-piperazin-2-ylethanol,OCCC1CNCCN1,OCCC1CNCCN1,"InChI=1/C6H14N2O/c9-4-1-6-5-7-2-3-8-6/h6-9H,1-5H2",C6H14N2O,,,,,,DSSFSAGQNGRBOR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.363,248-815-2,28068-33-9,4-hydroxybutyl oleate,4-hydroxybutyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCCO,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCO,"InChI=1/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h9-10,23H,2-8,11-21H2,1H3",C22H42O3,,,,,,UKKNMCFZDIOGAW-KTKRTIGZSA-N,,,,,,,,,,,
100.044.364,248-816-8,28069-72-9,"(2E,6Z)-nona-2,6-dien-1-ol","nona-2,6-dien-1-ol",CC\\C=C/CC\\C=C\\CO,CC\C=C/CC\C=C\CO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3",C9H16O,,,,,,AMXYRHBJZOVHOL-ODYTWBPASA-N,,,,,,,,,,,
100.044.374,248-827-8,28085-69-0,Potassium cumenesulphonate,potassium 2-isopropylbenzenesulfonate,[K+].CC(C)c1ccccc1S(=O)(=O)[O-],[K+].CC(C)c1ccccc1S(=O)(=O)[O-],"InChI=1/C9H12O3S.K/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1",C9H12O3S.K,,,,,,MYGBBCKCTXSGOB-UHFFFAOYSA-M,,,,,,,,,,,
100.045.886,250-490-7,31154-87-7,Methylenebisnaphthalene-2-sulphonic acid,"1,1'-methylenedinaphthalene-2-sulfonic acid",OS(=O)(=O)c1ccc2ccccc2c1Cc3c(ccc4ccccc34)S(=O)(=O)O,OS(=O)(=O)c1ccc2ccccc2c1Cc3c(ccc4ccccc34)S(=O)(=O)O,"InChI=1/C21H16O6S2/c22-28(23,24)20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)29(25,26)27/h1-12H,13H2,(H,22,23,24)(H,25,26,27)",C21H16O6S2,,,,,,DQBNLFRFALCILS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.891,250-495-4,31166-17-3,"Zinc bis[(2,4-dichlorophenoxy)acetate]","zinc bis[(2,4-dichlorophenoxy)acetate]",[Zn+2].[O-]C(=O)COc1ccc(Cl)cc1Cl.[O-]C(=O)COc2ccc(Cl)cc2Cl,[Zn+2].[O-]C(=O)COc1ccc(Cl)cc1Cl.[O-]C(=O)COc2ccc(Cl)cc2Cl,"InChI=1/2C8H6Cl2O3.Zn/c2*9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h2*1-3H,4H2,(H,11,12);/q;;+2/p-2",C16H10Cl4O6Zn,,,,,,REDQSTCNNRSGCI-UHFFFAOYSA-L,,,,,,,,,,,
100.045.892,250-497-5,31166-18-4,"Aluminium tris(2,4-dichlorophenoxyacetate)","aluminum tris[(2,4-dichlorophenoxy)acetate]",[Al+3].[O-]C(=O)COc1ccc(Cl)cc1Cl.[O-]C(=O)COc2ccc(Cl)cc2Cl.[O-]C(=O)COc3ccc(Cl)cc3Cl,[Al+3].[O-]C(=O)COc1ccc(Cl)cc1Cl.[O-]C(=O)COc2ccc(Cl)cc2Cl.[O-]C(=O)COc3ccc(Cl)cc3Cl,"InChI=1/3C8H6Cl2O3.Al/c3*9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h3*1-3H,4H2,(H,11,12);/q;;;+3/p-3",C24H15AlCl6O9,,,,,,TZTFXNGHLVIMAM-UHFFFAOYSA-K,,,,,,,,,,,
100.042.089,246-314-3,24557-79-7,Iditol,D-iditol,OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO,OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO,"InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2",C6H14O6,,,,,,FBPFZTCFMRRESA-ZXXMMSQZSA-N,,,,,,,,,,,
100.042.093,246-319-0,24564-79-2,"4,4',4''-[(2-methoxy-4,6-dimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-di-tert-butylphenol]","4,4',4''-[(2-methoxy-4,6-dimethylbenzene-1,3,5-triyl)tris(methylene)]tris(2,6-di-tert-butylphenol)",COc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C,COc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C,"InChI=1/C54H78O4/c1-31-36(22-33-25-39(49(3,4)5)45(55)40(26-33)50(6,7)8)32(2)38(24-35-29-43(53(15,16)17)47(57)44(30-35)54(18,19)20)48(58-21)37(31)23-34-27-41(51(9,10)11)46(56)42(28-34)52(12,13)14/h25-30,55-57H,22-24H2,1-21H3",C54H78O4,,,,,,QDSWELIUCPGYMD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.097,246-323-2,24571-18-4,"4-isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane","4-isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane",CC(C)C1OC(OCC1(C)C)c2ccccc2,CC(C)C1OC(OCC1(C)C)c2ccccc2,"InChI=1/C15H22O2/c1-11(2)13-15(3,4)10-16-14(17-13)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3",C15H22O2,,,,,,KBQKRKYMBMMZIS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.108,246-335-8,24594-56-7,Sodium dibromoaurate,sodium dibromoaurate(1-),[Na+].Br[Au-]Br,[Na+].Br[Au-]Br,InChI=1/Au.2BrH.Na/h;2*1H;/q+3;;;+1/p-2/rAuBr2.Na/c2-1-3;/q2*+1,AuBr2.Na,,,,,,LTNGNZZEXTYILA-UHFFFAOYSA-L,,,,,,,,,,,
100.042.112,246-340-5,24598-62-7,Diammonium hexabromoosmate(2-),diammonium hexabromoosmate(2-),[NH4+].[NH4+].Br[Os-2](Br)(Br)(Br)(Br)Br,[NH4+].[NH4+].Br[Os-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.2H3N.Os/h6*1H;2*1H3;/q;;;;;;;;+6/p-4/rBr6Os.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/p+2",Br6Os.2H4N,,,,,,ZPHFWWAVHILXPL-UHFFFAOYSA-J,,,,,,,,,,,
100.043.752,248-142-4,26962-68-5,"2,2-dibutyl-1,3,2-dioxastannolane-4,5-dione","2,2-dibutyl-1,3,2-dioxastannolane-4,5-dione",CCCC[Sn]1(CCCC)OC(=O)C(=O)O1,CCCC[Sn]1(CCCC)OC(=O)C(=O)O1,"InChI=1/2C4H9.C2H2O4.Sn/c2*1-3-4-2;3-1(4)2(5)6;/h2*1,3-4H2,2H3;(H,3,4)(H,5,6);/q;;;+2/p-2/rC10H18O4Sn/c1-3-5-7-15(8-6-4-2)13-9(11)10(12)14-15/h3-8H2,1-2H3",C10H18O4Sn,,,,,,JJTKDKRNJKLRSS-UHFFFAOYSA-L,,,,,,,,,,,
100.045.840,250-439-9,31027-31-3,p-isopropylphenyl isocyanate,1-isocyanato-4-isopropylbenzene,CC(C)c1ccc(cc1)N=C=O,CC(C)c1ccc(cc1)N=C=O,"InChI=1/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3",C10H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11378,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.840,PJVRNNRZWASOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.809,244-907-1,22316-45-6,Ethyl 3-[(5-chloro-2-nitrophenyl)phenylamino]-3-oxopropionate,ethyl 3-[(5-chloro-2-nitrophenyl)(phenyl)amino]-3-oxopropanoate,CCOC(=O)CC(=O)N(c1ccccc1)c2cc(Cl)ccc2[N+](=O)[O-],CCOC(=O)CC(=O)N(c1ccccc1)c2cc(Cl)ccc2[N+](=O)[O-],"InChI=1/C17H15ClN2O5/c1-2-25-17(22)11-16(21)19(13-6-4-3-5-7-13)15-10-12(18)8-9-14(15)20(23)24/h3-10H,2,11H2,1H3",C17H15ClN2O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17921,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.809,ZRYOWWCGEBQSKY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.820,244-919-7,22333-90-0,"Calcium (9Z,12Z,15Z)-9,12,15-octadecatrienoate","calcium dioctadeca-9,12,15-trienoate",[Ca+2].CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Ca+2].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H30O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H30O2.1/2Ca,,,,,,CIRHMZHRSIZIGV-SYSSTCGWSA-L,,,,,,,,,,,
100.040.821,244-920-2,22339-08-8,"[1R-(1a,2a,5a)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=CC(O)C2CC1C2(C)C,CC1=CC(O)C2CC1C2(C)C,"InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3",C10H16O,,,,,,WONIGEXYPVIKFS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.823,244-922-3,22345-47-7,Tofisopam,"1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine",CCC1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C,CCC1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C,"InChI=1/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3",C22H26N2O4,,,,,,RUJBDQSFYCKFAA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.827,244-927-0,22348-95-4,Methyl 3-oxooctanoate,methyl 3-oxooctanoate,CCCCCC(=O)CC(=O)OC,CCCCCC(=O)CC(=O)OC,"InChI=1/C9H16O3/c1-3-4-5-6-8(10)7-9(11)12-2/h3-7H2,1-2H3",C9H16O3,,,,,,YKLCWZMIZHQGFV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.828,244-928-6,22348-96-5,Methyl 3-oxodecanoate,methyl 3-oxodecanoate,CCCCCCCC(=O)CC(=O)OC,CCCCCCCC(=O)CC(=O)OC,"InChI=1/C11H20O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h3-9H2,1-2H3",C11H20O3,,,,,,QOQWSGSXXQSUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.418,248-876-5,28163-84-0,(E)-hept-3-enoic acid,hept-3-enoic acid,CCC\\C=C\\CC(=O)O,CCC\C=C\CC(=O)O,"InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)",C7H12O2,,,,,,BCYXFRMDZWKZSF-SNAWJCMRSA-N,,,,,,,,,,,
100.044.422,248-880-7,28169-46-2,"3,5-dinitro-o-toluic acid","2-methyl-3,5-dinitrobenzoic acid",Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)",C8H6N2O6,,,,,,CDVNZMKTJIBBBV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.423,248-881-2,28172-08-9,"5-[3-(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene]-1-ethyl-1,2,5,6-tetrahydro-4-methylnicotinonitrile","5-[3-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)prop-1-en-1-yl]-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CCN1C(=C(C=CC=C2C(=C(C#N)C(=O)N(CC)C2=O)C)C(=C(C#N)C1=O)C)O,CCN1C(=C(C=CC=C2C(=C(C#N)C(=O)N(CC)C2=O)C)C(=C(C#N)C1=O)C)O,"InChI=1/C21H20N4O4/c1-5-24-18(26)14(12(3)16(10-22)20(24)28)8-7-9-15-13(4)17(11-23)21(29)25(6-2)19(15)27/h7-9,26H,5-6H2,1-4H3",C21H20N4O4,,,,,,UKUWHJSLMKBVGB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.426,248-884-9,28177-48-2,"2,6-difluorophenol","2,6-difluorophenol",Oc1c(F)cccc1F,Oc1c(F)cccc1F,"InChI=1/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",C6H4F2O,,,,,,CKKOVFGIBXCEIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.436,248-895-9,28198-05-2,"1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxyanthraquinone","1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxy-9,10-anthraquinone",CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)c4C(=O)c5c(O)ccc(O)c5C(=O)c24)cc1,CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)c4C(=O)c5c(O)ccc(O)c5C(=O)c24)cc1,"InChI=1/C34H34N2O4/c1-3-5-7-21-9-13-23(14-10-21)35-25-17-18-26(36-24-15-11-22(12-16-24)8-6-4-2)30-29(25)33(39)31-27(37)19-20-28(38)32(31)34(30)40/h9-20,35-38H,3-8H2,1-2H3",C34H34N2O4,,,,,,KTEFLEFPDDQMCB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.449,248-910-9,28219-82-1,(±)-1-(isopropyl)-4-methylcyclohex-3-en-1-ol,1-isopropyl-4-methylcyclohex-3-en-1-ol,CC(C)C1(O)CCC(=CC1)C,CC(C)C1(O)CCC(=CC1)C,"InChI=1/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",C10H18O,,,,,,WRYLYDPHFGVWKC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.451,248-913-5,28223-73-6,Disodium D-glutamate,disodium 2-aminopentanedioate,[Na+].[Na+].N[C@H](CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].N[C@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C5H9NO4.2Na,,,,,,PXEDJBXQKAGXNJ-HWYNEVGZSA-L,,,,,,,,,,,
100.044.452,248-914-0,28225-88-9,"2,4-dichloro-5-methylthiophenol","2,4-dichloro-5-methylbenzenethiol",Cc1cc(S)c(Cl)cc1Cl,Cc1cc(S)c(Cl)cc1Cl,"InChI=1/C7H6Cl2S/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3",C7H6Cl2S,,,,,,SHBIPXMJAAVLGL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.454,248-916-1,28230-32-2,"3-hydroxy-1,2,3-benzotriazin-4(3H)-one","3-hydroxy-1,2,3-benzotriazin-4(3H)-one",ON1N=Nc2ccccc2C1=O,ON1N=Nc2ccccc2C1=O,"InChI=1/C7H5N3O2/c11-7-5-3-1-2-4-6(5)8-9-10(7)12/h1-4,12H",C7H5N3O2,,,,,,HJBLUNHMOKFZQX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.134,246-364-6,24621-73-6,4-chloro-1H-indole-2-carboxylic acid,4-chloro-1H-indole-2-carboxylic acid,OC(=O)c1cc2c(Cl)cccc2[nH]1,OC(=O)c1cc2c(Cl)cccc2[nH]1,"InChI=1/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)",C9H6ClNO2,,,,,,VXZHQADIRFFCMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.880,250-483-9,31140-40-6,Methyl 4-[(chlorocarbonyl)oxy]benzoate,methyl 4-[(chlorocarbonyl)oxy]benzoate,COC(=O)c1ccc(OC(=O)Cl)cc1,COC(=O)c1ccc(OC(=O)Cl)cc1,"InChI=1/C9H7ClO4/c1-13-8(11)6-2-4-7(5-3-6)14-9(10)12/h2-5H,1H3",C9H7ClO4,,,,,,PPVBQEZMYRAXPV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.881,250-484-4,31142-56-0,Aluminium citrate,aluminum citrate,[Al+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Al+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Al/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",C6H8O7.xAl,,,,,,ZUGAOYSWHHGDJY-UHFFFAOYSA-K,,,,,,,,,,,
100.045.883,250-487-0,31148-31-9,Pentyl palmitate,pentyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCC,"InChI=1/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h3-20H2,1-2H3",C21H42O2,,,,,,YGDMPMKCHSXJJF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.887,250-491-2,31154-98-0,Tri-sec-butylphenol,"2,3,4-tri-sec-butylphenol",CCC(C)c1ccc(O)c(C(C)CC)c1C(C)CC,CCC(C)c1ccc(O)c(C(C)CC)c1C(C)CC,"InChI=1/C18H30O/c1-7-12(4)15-10-11-16(19)18(14(6)9-3)17(15)13(5)8-2/h10-14,19H,7-9H2,1-6H3",C18H30O,,,,,,PIHPRZNPMVNXGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.888,250-492-8,31155-09-6,Dichlorobenzaldehyde,"2,3-dichlorobenzaldehyde",Clc1cccc(C=O)c1Cl,Clc1cccc(C=O)c1Cl,InChI=1/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,C7H4Cl2O,,,,,,LLMLNAVBOAMOEE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.893,250-498-0,31167-90-5,3-chlorodihydrofuran-2(3H)-one,3-chlorodihydrofuran-2(3H)-one,ClC1CCOC1=O,ClC1CCOC1=O,"InChI=1/C4H5ClO2/c5-3-1-2-7-4(3)6/h3H,1-2H2",C4H5ClO2,,,,,,OARNHESMASZJCO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.907,250-514-6,31215-05-1,Octyl-2-naphthol,1-octyl-2-naphthol,CCCCCCCCc1c(O)ccc2ccccc12,CCCCCCCCc1c(O)ccc2ccccc12,"InChI=1/C18H24O/c1-2-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14-18(17)19/h8-11,13-14,19H,2-7,12H2,1H3",C18H24O,,,,,,AAZCPESOYPGWEG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.909,250-516-7,31218-69-6,"1,6-dioxecane-2,5-dione","1,6-dioxecane-2,5-dione",O=C1CCC(=O)OCCCCO1,O=C1CCC(=O)OCCCCO1,InChI=1/C8H12O4/c9-7-3-4-8(10)12-6-2-1-5-11-7/h1-6H2,C8H12O4,,,,,,ZMKVBUOZONDYBW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.081,246-305-4,24544-04-5,"2,6-diisopropylaniline","2,6-diisopropylaniline",CC(C)c1cccc(C(C)C)c1N,CC(C)c1cccc(C(C)C)c1N,"InChI=1/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3",C12H19N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10001,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.081,WKBALTUBRZPIPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.082,246-307-5,24544-08-9,"2,6-diethyl-p-toluidine","2,6-diethyl-4-methylaniline",CCc1cc(C)cc(CC)c1N,CCc1cc(C)cc(CC)c1N,"InChI=1/C11H17N/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5,12H2,1-3H3",C11H17N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10873,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.082,OIXUMNZGNCAOKY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.083,246-308-0,24545-86-6,"3',6'-dihydroxy-4',5'-dinitrospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-dihydroxy-4',5'-dinitro-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3c(ccc(O)c3[N+](=O)[O-])C24OC(=O)c5ccccc45)c1[N+](=O)[O-],Oc1ccc2c(Oc3c(ccc(O)c3[N+](=O)[O-])C24OC(=O)c5ccccc45)c1[N+](=O)[O-],"InChI=1/C20H10N2O9/c23-13-7-5-11-17(15(13)21(26)27)30-18-12(6-8-14(24)16(18)22(28)29)20(11)10-4-2-1-3-9(10)19(25)31-20/h1-8,23-24H",C20H10N2O9,,,,,,RYCIBGACBRAXBM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.090,246-315-9,24561-10-2,Piperocaine hydrochloride,3-(2-methylpiperidin-1-yl)propyl benzoate hydrochloride,Cl.CC1CCCCN1CCCOC(=O)c2ccccc2,Cl.CC1CCCCN1CCCOC(=O)c2ccccc2,"InChI=1/C16H23NO2.ClH/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15;/h2-4,9-10,14H,5-8,11-13H2,1H3;1H",C16H23NO2.ClH,,,,,,ZXSGQNYQJIUMQN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.094,246-320-6,24565-13-7,"Disodium 4,4'-bis[[6-anilino-4-(ethylamino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-{[4-anilino-6-(ethylamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate)",[Na+].[Na+].CCNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].CCNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C36H36N12O6S2.2Na/c1-3-37-31-43-33(39-25-11-7-5-8-12-25)47-35(45-31)41-27-19-17-23(29(21-27)55(49,50)51)15-16-24-18-20-28(22-30(24)56(52,53)54)42-36-46-32(38-4-2)44-34(48-36)40-26-13-9-6-10-14-26;;/h5-22H,3-4H2,1-2H3,(H,49,50,51)(H,52,53,54)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2",C36H36N12O6S2.2Na,,,,,,MMNFJSXNIHPIPR-VRZXRVJBSA-L,,,,,,,,,,,
100.042.096,246-322-7,24570-88-5,1-propyl-3-(p-tolylsulphonyl)urea,4-methyl-N-(propylcarbamoyl)benzenesulfonamide,CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,"InChI=1/C11H16N2O3S/c1-3-8-12-11(14)13-17(15,16)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2,12,13,14)",C11H16N2O3S,,,,,,QSLBKVNCTRJJNT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.100,246-326-9,24577-43-3,"Bis[N,N'-diphenylguanidinium] oxalate",bis[N-(phenylcarbamimidoyl)anilinium] oxalate,[O-]C(=O)C(=O)[O-].N=C(Nc1ccccc1)[NH2+]c2ccccc2.N=C(Nc3ccccc3)[NH2+]c4ccccc4,[O-]C(=O)C(=O)[O-].N=C(Nc1ccccc1)[NH2+]c2ccccc2.N=C(Nc3ccccc3)[NH2+]c4ccccc4,"InChI=1/2C13H13N3.C2H2O4/c2*14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;3-1(4)2(5)6/h2*1-10H,(H3,14,15,16);(H,3,4)(H,5,6)",C13H13N3.1/2C2H2O4,,,,,,XLABCRFCZMMHAK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.230,218-952-2,2301-52-2,"(±)-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)glutaric acid","2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid",OC(=O)CCC(N1C(=O)c2ccccc2C1=O)C(=O)O,OC(=O)CCC(N1C(=O)c2ccccc2C1=O)C(=O)O,"InChI=1/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)",C13H11NO6,,,,,,FEFFSKLJNYRHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.239,218-962-7,2303-17-5,Tri-allate,"S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate",CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,"InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3",C10H16Cl3NOS,,,,,,MWBPRDONLNQCFV-UHFFFAOYSA-N,Positive,SM848803;EQ372501|EQ372502|EQ372503|EQ372504|EQ372505|EQ372506|EQ372507|EQ372508|EQ372509,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,304.0091:142.9216:86.06;304.0089:86.06:128.1069|86.06:142.9217:304.0091|142.9217:86.06:140.9327|142.9217:82.9449:140.9327|142.9217:82.9449:58.0651|82.9449:142.9217:58.0651|82.9449:142.9217:58.0651|82.9449:106.945:60.984|82.945:106.945:72.9839,CASMI_2016;Eawag,,,,,
100.017.247,218-971-6,7/05/2305,Dihydro-5-octylfuran-2(3H)-one,5-octyldihydrofuran-2(3H)-one,CCCCCCCCC1CCC(=O)O1,CCCCCCCCC1CCC(=O)O1,"InChI=1/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3",C12H22O2,,,,,,WGPCZPLRVAWXPW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.765,220-641-1,2845-83-2,4-methoxypent-3-en-2-one,4-methoxypent-3-en-2-one,CC(=O)C=C(C)OC,CC(=O)C=C(C)OC,"InChI=1/C6H10O2/c1-5(7)4-6(2)8-3/h4H,1-3H3",C6H10O2,,,,,,CDWAKLKSWYVUSL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.768,220-644-8,2846-89-1,"5,6-diaminopyrimidine-4-thiol","5,6-diaminopyrimidine-4-thiol",Nc1ncnc(S)c1N,Nc1ncnc(S)c1N,"InChI=1/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)",C4H6N4S,,,,,,LFJKVEOWXYKQGT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.770,220-646-9,2847-00-9,"1,2:5,6-bis-O-isopropylidene-a-D-ribo-hexofuranos-3-ulose","5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ol (non-preferred name)",CC1(C)OCC(O1)C2=C(O)C3OC(C)(C)OC3O2,CC1(C)OCC(O1)C2=C(O)C3OC(C)(C)OC3O2,"InChI=1/C12H18O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6,9-10,13H,5H2,1-4H3",C12H18O6,,,,,,BBJBIEZVAHWJOO-UHFFFAOYSA-N,,,,,,,,,,,
100.016.820,218-502-5,2164-33-2,"2-(chloromethyl)-2,3-dihydro-1,4-benzodioxin","2-(chloromethyl)-2,3-dihydro-1,4-benzodioxine",ClCC1COc2ccccc2O1,ClCC1COc2ccccc2O1,"InChI=1/C9H9ClO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2",C9H9ClO2,,,,,,AYPKYQSHFKQVDL-UHFFFAOYSA-N,,,,,,,,,,,
100.016.826,218-508-8,2167-85-3,Pipazetate,"2-(2-piperidin-1-ylethoxy)ethyl 10H-pyrido[3,2-b][1,4]benzothiazine-10-carboxylate",O=C(OCCOCCN1CCCCC1)N2c3ccccc3Sc4cccnc24,O=C(OCCOCCN1CCCCC1)N2c3ccccc3Sc4cccnc24,"InChI=1/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2",C21H25N3O3S,,,,,,DTVJXCOMJLLMAK-UHFFFAOYSA-N,,,,,,,,,,,
100.016.829,218-511-4,2168-93-6,Dibutyl sulphoxide,"1,1'-sulfinyldibutane",CCCCS(=O)CCCC,CCCCS(=O)CCCC,"InChI=1/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3",C8H18OS,,,,,,LOWMYOWHQMKBTM-UHFFFAOYSA-N,,,,,,,,,,,
100.016.844,218-528-7,2173-56-0,Pentyl valerate,pentyl valerate,CCCCCOC(=O)CCCC,CCCCCOC(=O)CCCC,"InChI=1/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3",C10H20O2,,,,,,FGPPDYNPZTUNIU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.848,218-532-9,2174-64-3,Flamenol,"5-methoxybenzene-1,3-diol",COc1cc(O)cc(O)c1,COc1cc(O)cc(O)c1,"InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3",C7H8O3,,,,,,HDVRLUFGYQYLFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.852,218-537-6,8/10/2177,"1-amino-4,8-dihydroxy-5-nitroanthraquinone","1-amino-4,8-dihydroxy-5-nitro-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-],Nc1ccc(O)c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-],"InChI=1/C14H8N2O6/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16(21)22)10(12)14(11)20/h1-4,17-18H,15H2",C14H8N2O6,,,,,,IPJOWXGWQRTFMU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.854,218-539-7,2177-34-6,1-cyclohexyl-2-propen-1-one,1-cyclohexylprop-2-en-1-one,C=CC(=O)C1CCCCC1,C=CC(=O)C1CCCCC1,"InChI=1/C9H14O/c1-2-9(10)8-6-4-3-5-7-8/h2,8H,1,3-7H2",C9H14O,,,,,,WXOZSJIRHYARIF-UHFFFAOYSA-N,,,,,,,,,,,
100.016.856,218-541-8,2177-63-1,Benzyl hydrogen ß-L-aspartate,2-amino-4-(benzyloxy)-4-oxobutanoic acid (non-preferred name),OC(=O)[C@@H](N)CC(=O)OCc1ccccc1,OC(=O)[C@@H](N)CC(=O)OCc1ccccc1,"InChI=1/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)",C11H13NO4,,,,,,VGALFAWDSNRXJK-VIFPVBQESA-N,,,,,,,,,,,
100.016.858,218-543-9,2177-77-7,Methyl 2-methylvalerate,methyl 2-methylpentanoate,CCCC(C)C(=O)OC,CCCC(C)C(=O)OC,"InChI=1/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3",C7H14O2,,,,,,ZTULNMNIVVMLIU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.863,218-549-1,2179-58-0,Allyl methyl disulphide,3-(methyldisulfanyl)prop-1-ene,CSSCC=C,CSSCC=C,"InChI=1/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3",C4H8S2,,,,,,XNZOTQPMYMCTBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.016.864,218-550-7,2179-59-1,Allyl propyl disulphide,3-(propyldisulfanyl)prop-1-ene,CCCSSCC=C,CCCSSCC=C,"InChI=1/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3",C6H12S2,,,,,,FCSSPCOFDUKHPV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.565,223-720-9,4036-86-6,"4-bromo-N-[2-(dimethylamino)phenyl]-3,5-dihydroxybenzamide","4-bromo-N-[2-(dimethylamino)phenyl]-3,5-dihydroxybenzamide",CN(C)c1ccccc1NC(=O)c2cc(O)c(Br)c(O)c2,CN(C)c1ccccc1NC(=O)c2cc(O)c(Br)c(O)c2,"InChI=1/C15H15BrN2O3/c1-18(2)11-6-4-3-5-10(11)17-15(21)9-7-12(19)14(16)13(20)8-9/h3-8,19-20H,1-2H3,(H,17,21)",C15H15BrN2O3,,,,,,NUGUFUGDAQIDLH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.841,250-440-4,31030-27-0,4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-N-(2-phenoxyethyl)aniline,4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-phenoxyethyl)aniline,Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CCOc2ccccc2)[N+]([O-])=O,Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CCOc2ccccc2)[N+]([O-])=O,"InChI=1/C22H21ClN4O3/c1-2-26(14-15-30-20-6-4-3-5-7-20)18-10-8-17(9-11-18)24-25-22-13-12-19(27(28)29)16-21(22)23/h3-13,16H,2,14-15H2,1H3",C22H21ClN4O3,,,,,,FPZLDEMJTIKTJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.849,250-449-3,31056-76-5,Cholest-5-en-3ß-yl p-nonylphenyl carbonate,cholest-5-en-3-yl 4-nonylphenyl carbonate,CCCCCCCCCc1ccc(OC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)cc1,CCCCCCCCCc1ccc(OC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)cc1,"InChI=1/C43H68O3/c1-7-8-9-10-11-12-13-17-33-18-21-35(22-19-33)45-41(44)46-36-26-28-42(5)34(30-36)20-23-37-39-25-24-38(32(4)16-14-15-31(2)3)43(39,6)29-27-40(37)42/h18-22,31-32,36-40H,7-17,23-30H2,1-6H3",C43H68O3,,,,,,UUWUIHHEUZZYGW-FJMRLGANSA-N,,,,,,,,,,,
100.045.852,250-453-5,31066-45-2,"2,4-dibromophenyl diphenyl phosphate","2,4-dibromophenyl diphenyl phosphate",Brc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)c(Br)c1,Brc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)c(Br)c1,"InChI=1/C18H13Br2O4P/c19-14-11-12-18(17(20)13-14)24-25(21,22-15-7-3-1-4-8-15)23-16-9-5-2-6-10-16/h1-13H",C18H13Br2O4P,,,,,,WMEJWPBOSMFMII-UHFFFAOYSA-N,,,,,,,,,,,
100.045.856,250-457-7,31084-17-0,Methyl 3-(dipropylamino)-2-methylpropionate,methyl 3-(dipropylamino)-2-methylpropanoate,CCCN(CCC)CC(C)C(=O)OC,CCCN(CCC)CC(C)C(=O)OC,"InChI=1/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3",C11H23NO2,,,,,,VGUXUBAHVQOINX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.857,250-458-2,31089-24-4,2-isopropyl-3-methylcyclopent-2-en-1-one,2-isopropyl-3-methylcyclopent-2-en-1-one,CC(C)C1=C(C)CCC1=O,CC(C)C1=C(C)CCC1=O,"InChI=1/C9H14O/c1-6(2)9-7(3)4-5-8(9)10/h6H,4-5H2,1-3H3",C9H14O,,,,,,MZTOBWCRJYWMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.861,250-462-4,31093-48-8,Isopropylnaphthalenesulphonic acid,2-isopropylnaphthalene-1-sulfonic acid,CC(C)c1ccc2ccccc2c1S(=O)(=O)O,CC(C)c1ccc2ccccc2c1S(=O)(=O)O,"InChI=1/C13H14O3S/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16/h3-9H,1-2H3,(H,14,15,16)",C13H14O3S,,,,,,ZTFYJIXFKGPCHV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.870,250-472-9,31107-44-5,"1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4:6,9-dimethanodibenzofuran","1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4:6,9-dimethanodibenzo[b,d]furan",ClC1=C(Cl)C2(Cl)C3C(OC4C3C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C(OC4C3C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,"InChI=1/C14H4Cl12O/c15-3-5(17)11(21)7-1(9(3,19)13(11,23)24)2-8(27-7)12(22)6(18)4(16)10(2,20)14(12,25)26/h1-2,7-8H",C14H4Cl12O,,,,,,CDBKZZACXQLFMK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.503,244-570-0,21752-35-2,(R)-o-[[(1-phenylethyl)amino]carbonyl]benzoic acid,2-[(1-phenylethyl)carbamoyl]benzoic acid,C[C@@H](NC(=O)c1ccccc1C(=O)O)c2ccccc2,C[C@@H](NC(=O)c1ccccc1C(=O)O)c2ccccc2,"InChI=1/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)",C16H15NO3,,,,,,VCFKXWGKKDZMPO-LLVKDONJSA-N,,,,,,,,,,,
100.042.415,246-673-6,25154-54-5,Dinitrobenzene,"1,2-dinitrobenzene",[O-][N+](=O)c1ccccc1[N+](=O)[O-],[O-][N+](=O)c1ccccc1[N+](=O)[O-],InChI=1/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,C6H4N2O4,,,,,,IZUKQUVSCNEFMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.418,246-676-2,25155-19-5,Naphthalenesulphonic acid,naphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc2ccccc12,OS(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)",C10H8O3S,,,,,,PSZYNBSKGUBXEH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.423,246-682-5,25155-35-5,Dimethylpiperazine,"1,2-dimethylpiperazine",CC1CNCCN1C,CC1CNCCN1C,"InChI=1/C6H14N2/c1-6-5-7-3-4-8(6)2/h6-7H,3-5H2,1-2H3",C6H14N2,,,,,,ARHYWWAJZDAYDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.424,246-683-0,25158-37-6,"1-amino-4-(4-dodecylsulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-dodecyl-2-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CCCCCCCCCCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(c1)S(=O)(=O)O,CCCCCCCCCCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C32H38N2O8S2/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-18-24(26(19-21)43(37,38)39)34-25-20-27(44(40,41)42)30(33)29-28(25)31(35)22-15-12-13-16-23(22)32(29)36/h12-13,15-20,34H,2-11,14,33H2,1H3,(H,37,38,39)(H,40,41,42)",C32H38N2O8S2,,,,,,HCPHPBIMSCSUFT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.426,246-685-1,25161-41-5,Acevaltrate,"4-(acetoxymethyl)-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-acetoxy-3-methylbutanoate",CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)(C)OC(=O)C)[C@]3(CO3)[C@@H]12,CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)(C)OC(=O)C)[C@]3(CO3)[C@@H]12,"InChI=1/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3",C24H32O10,,,,,,FWKBQAVMKVZEOT-STCFVSJZSA-N,,,,,,,,,,,
100.042.428,246-687-2,25167-20-8,Tetrabromoethane,"1,1,1,2-tetrabromoethane",BrCC(Br)(Br)Br,BrCC(Br)(Br)Br,"InChI=1/C2H2Br4/c3-1-2(4,5)6/h1H2",C2H2Br4,,,,,,RVHSTXJKKZWWDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.430,246-689-3,25167-67-3,Butene,but-1-ene,CCC=C,CCC=C,"InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3",C4H8,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14810,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.430,VXNZUUAINFGPBY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.150,246-381-9,24646-67-1,2-(3-methylbutyl)anthraquinone,"2-(3-methylbutyl)-9,10-anthraquinone",CC(C)CCc1ccc2C(=O)c3ccccc3C(=O)c2c1,CC(C)CCc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C19H18O2/c1-12(2)7-8-13-9-10-16-17(11-13)19(21)15-6-4-3-5-14(15)18(16)20/h3-6,9-12H,7-8H2,1-2H3",C19H18O2,,,,,,CQYMOXYSVSNADQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.157,246-389-2,24668-75-5,"9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CC(C)(C)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CC(C)(C)C,"InChI=1/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3",C28H39FO6,,,,,,PQVDYPCHUGFHAR-PKWREOPISA-N,,,,,,,,,,,
100.042.163,246-396-0,24676-14-0,"2-amino-5,6-dihydro-4H-1,3-thiazin-4-one","2-amino-5,6-dihydro-4H-1,3-thiazin-4-one",NC1=NC(=O)CCS1,NC1=NC(=O)CCS1,"InChI=1/C4H6N2OS/c5-4-6-3(7)1-2-8-4/h1-2H2,(H2,5,6,7)",C4H6N2OS,,,,,,YSHYSAKBZQCSQY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.167,246-400-0,24681-18-3,"2-[4-[4-[(1-acetylacetonyl)azo]-2-sulphostyryl]-3-sulphophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonic acid","2-[4-(2-{4-[(1-acetyl-2-oxopropyl)diazenyl]-2-sulfophenyl}vinyl)-3-sulfophenyl]-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonic acid",CC(=O)C(N=Nc5ccc(/C=C/c1ccc(cc1S(O)(=O)=O)n3nc4c2ccccc2c(cc4n3)S(O)(=O)=O)c(c5)S(O)(=O)=O)C(C)=O,CC(=O)C(N=Nc5ccc(/C=C/c1ccc(cc1S(O)(=O)=O)n3nc4c2ccccc2c(cc4n3)S(O)(=O)=O)c(c5)S(O)(=O)=O)C(C)=O,"InChI=1/C29H23N5O11S3/c1-16(35)28(17(2)36)31-30-20-11-9-18(25(13-20)46(37,38)39)7-8-19-10-12-21(14-26(19)47(40,41)42)34-32-24-15-27(48(43,44)45)22-5-3-4-6-23(22)29(24)33-34/h3-15,28H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)",C29H23N5O11S3,,,,,,RLAAWRVSLGRFJS-IINWTGMXSA-N,,,,,,,,,,,
100.042.174,246-407-9,24686-78-0,N-benzoyl-4-piperidone,1-benzoylpiperidin-4-one,O=C(N1CCC(=O)CC1)c2ccccc2,O=C(N1CCC(=O)CC1)c2ccccc2,"InChI=1/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H2",C12H13NO2,,,,,,NZAXGZYPZGEVBD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.485,245-649-2,23418-82-8,"cis-cyclooctane-1,5-diol","cyclooctane-1,5-diol",O[C@@H]1CCC[C@H](O)CCC1,O[C@@H]1CCC[C@H](O)CCC1,"InChI=1/C8H16O2/c9-7-3-1-4-8(10)6-2-5-7/h7-10H,1-6H2",C8H16O2,,,,,,BDNXUVOJBGHQFD-OCAPTIKFSA-N,,,,,,,,,,,
100.041.486,245-650-8,23420-04-4,Ethyl DL-leucinate hydrochloride,ethyl L-leucinate hydrochloride,Cl.CCOC(=O)[C@@H](N)CC(C)C,Cl.CCOC(=O)[C@@H](N)CC(C)C,"InChI=1/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H",C8H17NO2.ClH,,,,,,NOUDPBCEONUCOV-FJXQXJEOSA-N,,,,,,,,,,,
100.041.491,245-656-0,23422-53-9,Formetanate hydrochloride,3-{[(dimethylamino)methylene]amino}phenyl methylcarbamate hydrochloride,Cl.O=C(Oc1cccc(c1)N=CN(C)C)NC,Cl.O=C(Oc1cccc(c1)N=CN(C)C)NC,"InChI=1/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H",C11H15N3O2.ClH,,,,,,MYPKGPZHHQEODQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.498,245-663-9,23436-19-3,1-isobutoxypropan-2-ol,1-isobutoxypropan-2-ol,CC(C)COCC(C)O,CC(C)COCC(C)O,"InChI=1/C7H16O2/c1-6(2)4-9-5-7(3)8/h6-8H,4-5H2,1-3H3",C7H16O2,,,,,,MWGRRMQNSQNFID-UHFFFAOYSA-N,,,,,,,,,,,
100.041.499,245-664-4,23446-55-1,Isopentyl p-tolyl ether,1-methyl-4-(3-methylbutoxy)benzene,CC(C)CCOc1ccc(C)cc1,CC(C)CCOc1ccc(C)cc1,"InChI=1/C12H18O/c1-10(2)8-9-13-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3",C12H18O,,,,,,BGMZYLDJORRZMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.126,247-455-3,26093-63-0,Tetrahydro-3-methyl-2H-pyran,3-methyltetrahydro-2H-pyran,CC1CCCOC1,CC1CCCOC1,"InChI=1/C6H12O/c1-6-3-2-4-7-5-6/h6H,2-5H2,1H3",C6H12O,,,,,,UJQZTMFRMLEYQN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.138,247-468-4,26117-27-1,N2-acetyl-D-asparagine,N~2~-acetyl-D-asparagine,CC(=O)N[C@H](CC(=O)N)C(=O)O,CC(=O)N[C@H](CC(=O)N)C(=O)O,"InChI=1/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)",C6H10N2O4,,,,,,HXFOXFJUNFFYMO-SCSAIBSYSA-N,,,,,,,,,,,
100.043.145,247-476-8,26138-64-7,3-acetyl-4-hydroxy-2-quinolone,3-acetyl-4-hydroxyquinolin-2(1H)-one,CC(=O)C1=C(O)c2ccccc2NC1=O,CC(=O)C1=C(O)c2ccccc2NC1=O,"InChI=1/C11H9NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)12-11(9)15/h2-5H,1H3,(H2,12,14,15)",C11H9NO3,,,,,,UTOJPZBVJLHYGO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.149,247-481-5,26155-31-7,Morantel tartrate,"1-methyl-2-[2-(3-methyl-2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine 2,3-dihydroxysuccinate (salt)",Cc2ccsc2C=C\\C1=N\\CCCN1C.OC(=O)[C@H](O)[C@@H](O)C(O)=O,Cc2ccsc2C=C\C1=N\CCCN1C.OC(=O)[C@H](O)[C@@H](O)C(O)=O,"InChI=1/C12H16N2S.C4H6O6/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-1(3(7)8)2(6)4(9)10/h4-6,9H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)",C12H16N2S.C4H6O6,,,,,,GGXQONWGCAQGNA-LREBCSMRSA-N,,,,,,,,,,,
100.042.103,246-330-0,24589-77-3,4-hydrazinobenzoic acid monohydrochloride,4-hydrazinobenzoic acid hydrochloride,Cl.NNc1ccc(cc1)C(=O)O,Cl.NNc1ccc(cc1)C(=O)O,"InChI=1/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H",C7H8N2O2.ClH,,,,,,XHLQMKQBCHYRLC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.113,246-341-0,24598-73-0,"Potassium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","potassium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",[K+].[O-]C(=O)C1=CC(=O)NC(=O)N1,[K+].[O-]C(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C5H4N2O4.K/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1",C5H4N2O4.K,,,,,,DHBUISJCVRMTAZ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.114,246-342-6,24599-21-1,2-(phosphonooxy)ethyl methacrylate,2-(phosphonooxy)ethyl methacrylate,CC(=C)C(=O)OCCOP(=O)(O)O,CC(=C)C(=O)OCCOP(=O)(O)O,"InChI=1/C6H11O6P/c1-5(2)6(7)11-3-4-12-13(8,9)10/h1,3-4H2,2H3,(H2,8,9,10)",C6H11O6P,,,,,,SEILKFZTLVMHRR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.119,246-347-3,24602-86-6,Tridemorph,"2,6-dimethyl-4-tridecylmorpholine",CCCCCCCCCCCCCN1CC(C)OC(C)C1,CCCCCCCCCCCCCN1CC(C)OC(C)C1,"InChI=1/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3",C19H39NO,,,,,,YTOPFCCWCSOHFV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.122,246-351-5,24606-42-6,Dipotassium zinc diphosphate,dipotassium zinc diphosphate,[K+].[K+].[Zn+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[K+].[K+].[Zn+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2K.2H3O4P.Zn/c;;2*1-5(2,3)4;/h;;2*(H3,1,2,3,4);/q2*+1;;;+2/p-6",H4O7P2.2K.Zn,,,,,,VYORXBAMFFLDHO-UHFFFAOYSA-H,,,,,,,,,,,
100.043.750,248-140-3,26957-73-3,"Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1H)-thione","5-(2-hydroxyethyl)-1,3,5-triazinane-2-thione",OCCN1CNC(=S)NC1,OCCN1CNC(=S)NC1,"InChI=1/C5H11N3OS/c9-2-1-8-3-6-5(10)7-4-8/h9H,1-4H2,(H2,6,7,10)",C5H11N3OS,,,,,,NATVVRFRJHJKDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.863,250-465-0,31098-20-1,Potassium 3-sulphonatopropyl acrylate,potassium 3-(acryloyloxy)propane-1-sulfonate,[K+].[O-]S(=O)(=O)CCCOC(=O)C=C,[K+].[O-]S(=O)(=O)CCCOC(=O)C=C,"InChI=1/C6H10O5S.K/c1-2-6(7)11-4-3-5-12(8,9)10;/h2H,1,3-5H2,(H,8,9,10);/q;+1/p-1",C6H10O5S.K,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11313,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.863,VSFOXJWBPGONDR-UHFFFAOYSA-M,,,,,,,,,,,
100.045.864,250-466-6,31098-21-2,Potassium 3-sulphopropyl methacrylate,-,[K+].CC(=C)C(=O)OCCCS(=O)(=O)O,[K+].CC(=C)C(=O)OCCCS(=O)(=O)O,"InChI=1/C7H12O5S.K/c1-6(2)7(8)12-4-3-5-13(9,10)11;/h1,3-5H2,2H3,(H,9,10,11);/q;+1",C7H12O5S.K,,,,,,PNOXUQIZPBURMT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.500,244-566-9,21752-31-8,"[R-(R*,S*)]-S-(3-amino-3-carboxypropyl)-S-methylsulphoximide",2-amino-4-(S-methylsulfonimidoyl)butanoic acid,CS(=N)(=O)CCC(N)C(=O)O,CS(=N)(=O)CCC(N)C(=O)O,"InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)",C5H12N2O3S,,,,,,SXTAYKAGBXMACB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.501,244-567-4,21752-33-0,(R)-4-oxo-4-[(1-phenylethyl)amino]butyric acid,4-oxo-4-[(1-phenylethyl)amino]butanoic acid,C[C@@H](NC(=O)CCC(=O)O)c1ccccc1,C[C@@H](NC(=O)CCC(=O)O)c1ccccc1,"InChI=1/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(15)16/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16)",C12H15NO3,,,,,,WUEKFTPKHWMMIP-SECBINFHSA-N,,,,,,,,,,,
100.040.504,244-571-6,21752-36-3,(S)-o-[[(1-phenylethyl)amino]carbonyl]benzoic acid,2-[(1-phenylethyl)carbamoyl]benzoic acid,C[C@H](NC(=O)c1ccccc1C(=O)O)c2ccccc2,C[C@H](NC(=O)c1ccccc1C(=O)O)c2ccccc2,"InChI=1/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)",C16H15NO3,,,,,,VCFKXWGKKDZMPO-NSHDSACASA-N,,,,,,,,,,,
100.042.414,246-672-0,25154-52-3,Nonylphenol,2-nonylphenol,Oc1ccccc1CCCCCCCCC,Oc1ccccc1CCCCCCCCC,"InChI=1/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3",C15H24O,,,,,,SNQQPOLDUKLAAF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.419,246-677-8,25155-23-1,Trixylyl phosphate,"tris(3,5-dimethylphenyl) phosphate",Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3)c1,Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3)c1,"InChI=1/C24H27O4P/c1-16-7-17(2)11-22(10-16)26-29(25,27-23-12-18(3)8-19(4)13-23)28-24-14-20(5)9-21(6)15-24/h7-15H,1-6H3",C24H27O4P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2204,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.419,LLPMAOBOEQFPRE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.432,246-691-4,25167-80-0,Chlorophenol,2-chlorophenol,Oc1ccccc1Cl,Oc1ccccc1Cl,"InChI=1/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5ClO,,,,,,ISPYQTSUDJAMAB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.445,246-705-9,25168-73-4,Sucrose stearate,3-O-stearoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C30H56O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)40-28-25(36)22(19-32)41-30(28,20-33)42-29-27(38)26(37)24(35)21(18-31)39-29/h21-22,24-29,31-33,35-38H,2-20H2,1H3",C30H56O12,,,,,,GFVSRVTZAWLNBD-UTGHZIEOSA-N,,,,,,,,,,,
100.042.446,246-706-4,25173-72-2,"3,4,5-trimethoxyhydrocinnamic acid","3-(3,4,5-trimethoxyphenyl)propanoic acid",COc1cc(CCC(=O)O)cc(OC)c1OC,COc1cc(CCC(=O)O)cc(OC)c1OC,"InChI=1/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)",C12H16O5,,,,,,ZCYXGVJUZBKJAI-UHFFFAOYSA-N,,,,,,,,,,,
100.021.567,223-723-5,4/04/4038,3-ethylpent-1-ene,3-ethylpent-1-ene,CCC(CC)C=C,CCC(CC)C=C,"InChI=1/C7H14/c1-4-7(5-2)6-3/h4,7H,1,5-6H2,2-3H3",C7H14,,,,,,YPVPQMCSLFDIKA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.568,223-724-0,4038-90-8,"Dimethyl piperazine-1,4-dipropionate","dimethyl 3,3'-piperazine-1,4-diyldipropanoate",COC(=O)CCN1CCN(CCC(=O)OC)CC1,COC(=O)CCN1CCN(CCC(=O)OC)CC1,"InChI=1/C12H22N2O4/c1-17-11(15)3-5-13-7-9-14(10-8-13)6-4-12(16)18-2/h3-10H2,1-2H3",C12H22N2O4,,,,,,ZNYIVYFFZCEWDY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.573,223-729-8,4040-54-4,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]stearamide,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1/C26H57N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27/h28-30H,2-25,27H2,1H3,(H,31,32)",C26H57N5O,,,,,,MSDNZILMCJTFIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.574,223-730-3,4040-74-8,"1,1-dimethylsilacyclohexane","1,1-dimethylsilinane",C[Si]1(C)CCCCC1,C[Si]1(C)CCCCC1,"InChI=1/C7H16Si/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3",C7H16Si,,,,,,VPVXTYYXTKCTPM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.575,223-731-9,2/09/4041,"2,5-dimethylcyclopentan-1-one","2,5-dimethylcyclopentanone",CC1CCC(C)C1=O,CC1CCC(C)C1=O,"InChI=1/C7H12O/c1-5-3-4-6(2)7(5)8/h5-6H,3-4H2,1-2H3",C7H12O,,,,,,MKLARKDYEBNZFK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.576,223-732-4,4041-95-6,"1,3-[di-tert-butyl]thiourea","1,3-di-tert-butylthiourea",CC(C)(C)NC(=S)NC(C)(C)C,CC(C)(C)NC(=S)NC(C)(C)C,"InChI=1/C9H20N2S/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)",C9H20N2S,,,,,,LTMHEXFMSAISLN-UHFFFAOYSA-N,,,,,,,,,,,
100.021.578,223-735-0,4042-36-8,5-oxo-D-proline,5-oxo-D-proline,OC(=O)[C@H]1CCC(=O)N1,OC(=O)[C@H]1CCC(=O)N1,"InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)",C5H7NO3,,,,,,ODHCTXKNWHHXJC-GSVOUGTGSA-N,,,,,,,,,,,
100.021.579,223-736-6,4043-59-8,"1,3-diethoxypropan-2-ol","1,3-diethoxypropan-2-ol",CCOCC(O)COCC,CCOCC(O)COCC,"InChI=1/C7H16O3/c1-3-9-5-7(8)6-10-4-2/h7-8H,3-6H2,1-2H3",C7H16O3,,,,,,WIHIUTUAHOZVLE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.582,223-739-2,4043-96-3,Sodium bis(4-nitrophenyl) phosphate,sodium bis(4-nitrophenyl) phosphate,[Na+].[O-][N+](=O)c1ccc(OP(=O)([O-])Oc2ccc(cc2)[N+](=O)[O-])cc1,[Na+].[O-][N+](=O)c1ccc(OP(=O)([O-])Oc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C12H9N2O8P.Na/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18;/h1-8H,(H,19,20);/q;+1/p-1",C12H9N2O8P.Na,,,,,,DELHRHCJGSTQNU-UHFFFAOYSA-M,,,,,,,,,,,
100.021.585,223-742-9,4045-24-3,4-methoxypiperidine,4-methoxypiperidine,COC1CCNCC1,COC1CCNCC1,"InChI=1/C6H13NO/c1-8-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3",C6H13NO,,,,,,ZEYSHALLPAKUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.021.586,223-743-4,4045-44-7,"1,2,3,4,5-pentamethylcyclopentadiene","1,2,3,4,5-pentamethylcyclopenta-1,3-diene",CC1C(=C(C)C(=C1C)C)C,CC1C(=C(C)C(=C1C)C)C,"InChI=1/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3",C10H16,,,,,,WQIQNKQYEUMPBM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.593,223-751-8,4049-81-4,"2-methylhexa-1,5-diene","2-methylhexa-1,5-diene",CC(=C)CCC=C,CC(=C)CCC=C,"InChI=1/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3",C7H12,,,,,,SLQMKNPIYMOEGB-UHFFFAOYSA-N,,,,,,,,,,,
100.021.599,223-758-6,4052-59-9,(-)-2-thienylglycine,N-2-thienylglycine,OC(=O)CNc1cccs1,OC(=O)CNc1cccs1,"InChI=1/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)",C6H7NO2S,,,,,,UNQHGXLQKSZYQU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.606,223-765-4,4058-30-4,"3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis[propiononitrile]","3,3'-({4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}imino)dipropanenitrile",Clc2cc(ccc2N=Nc1ccc(cc1)N(CCC#N)CCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CCC#N)CCC#N)[N+]([O-])=O,"InChI=1/C18H15ClN6O2/c19-17-13-16(25(26)27)7-8-18(17)23-22-14-3-5-15(6-4-14)24(11-1-9-20)12-2-10-21/h3-8,13H,1-2,11-12H2",C18H15ClN6O2,,,,,,ZXXVVTBKBDDTSE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.231,222-253-8,3397-23-7,Ornipressin,"1-{[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-ornithylglycinamide",NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,"InChI=1/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)",C45H63N13O12S2,,,,,,MUNMIGOEDGHVLE-LGYYRGKSSA-N,,,,,,,,,,,
100.042.439,246-699-8,25168-06-3,Isopropylphenol,2-isopropylphenol,CC(C)c1ccccc1O,CC(C)c1ccccc1O,"InChI=1/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3",C9H12O,,,,,,CRBJBYGJVIBWIY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.452,246-713-2,25180-12-5,6-amino-3-[[4-[(4-aminophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-3-({4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid,COc4cc(N=Nc1ccc(N)cc1)c(C)cc4N=Nc3c(cc2ccc(N)cc2c3O)S(O)(=O)=O,COc4cc(N=Nc1ccc(N)cc1)c(C)cc4N=Nc3c(cc2ccc(N)cc2c3O)S(O)(=O)=O,"InChI=1/C24H22N6O5S/c1-13-9-20(21(35-2)12-19(13)28-27-17-7-5-15(25)6-8-17)29-30-23-22(36(32,33)34)10-14-3-4-16(26)11-18(14)24(23)31/h3-12,31H,25-26H2,1-2H3,(H,32,33,34)",C24H22N6O5S,,,,,,XEOHZCPNNCIHDP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.453,246-714-8,25182-44-9,Chromium methacrylate,chromium(2+) bis(2-methylacrylate),[Cr+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Cr+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Cr/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.xCr,,,,,,XOYMZNAPYOOFMS-UHFFFAOYSA-L,,,,,,,,,,,
100.045.914,250-521-4,31233-64-4,"a-(phenylmethyl)[1,1'-biphenyl]-4-methanol",1-biphenyl-4-yl-2-phenylethanol,OC(Cc1ccccc1)c2ccc(cc2)c3ccccc3,OC(Cc1ccccc1)c2ccc(cc2)c3ccccc3,"InChI=1/C20H18O/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20-21H,15H2",C20H18O,,,,,,OXYJSBOMTWSWCH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.921,250-529-8,31249-11-3,"3-[2,2-dimethyl-3-[(2-methyl-1-oxoallyl)oxy]-1-oxopropoxy]-2,2-dimethylpropyl methacrylate","3-{[3-(methacryloyloxy)-2,2-dimethylpropanoyl]oxy}-2,2-dimethylpropyl methacrylate",CC(=C)C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)C(=C)C,CC(=C)C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)C(=C)C,"InChI=1/C18H28O6/c1-12(2)14(19)22-9-17(5,6)10-24-16(21)18(7,8)11-23-15(20)13(3)4/h1,3,9-11H2,2,4-8H3",C18H28O6,,,,,,YGXCIBYSZZKUKK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.927,250-536-6,31252-85-4,p-nitrophenyl iodoacetate,4-nitrophenyl iodoacetate,[O-][N+](=O)c1ccc(OC(=O)CI)cc1,[O-][N+](=O)c1ccc(OC(=O)CI)cc1,"InChI=1/C8H6INO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2",C8H6INO4,,,,,,GERXSZLDSOPHJV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.928,250-537-1,31255-17-1,"1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane","1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane",C1COCCOCCOCCNCCOCCOCCOCCN1,C1COCCOCCOCCNCCOCCOCCOCCN1,"InChI=1/C16H34N2O6/c1-5-19-9-13-23-15-11-21-7-3-18-4-8-22-12-16-24-14-10-20-6-2-17-1/h17-18H,1-16H2",C16H34N2O6,,,,,,STPLRJHSPOESPN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.929,250-538-7,31255-25-1,"2,2'-[oxybis(ethyleneoxy)]bisacetyl dichloride","2,2'-[oxybis(ethane-2,1-diyloxy)]diacetyl chloride",ClC(=O)COCCOCCOCC(=O)Cl,ClC(=O)COCCOCCOCC(=O)Cl,InChI=1/C8H12Cl2O5/c9-7(11)5-14-3-1-13-2-4-15-6-8(10)12/h1-6H2,C8H12Cl2O5,,,,,,RKXVBWUJVGVUDT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.931,250-540-8,31265-39-1,"4,4'-[(5-chloro-2-hydroxy-1,3-phenylene)bis(methylene)]bisresorcinol","4,4'-[(5-chloro-2-hydroxy-1,3-phenylene)bis(methylene)]dibenzene-1,3-diol",Oc1ccc(Cc2cc(Cl)cc(Cc3ccc(O)cc3O)c2O)c(O)c1,Oc1ccc(Cc2cc(Cl)cc(Cc3ccc(O)cc3O)c2O)c(O)c1,"InChI=1/C20H17ClO5/c21-15-7-13(5-11-1-3-16(22)9-18(11)24)20(26)14(8-15)6-12-2-4-17(23)10-19(12)25/h1-4,7-10,22-26H,5-6H2",C20H17ClO5,,,,,,FXNREMQIVSLLHN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.938,250-548-1,31291-42-6,Strontium bis(nonylphenolate),strontium bis(2-nonylphenolate),[Sr+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],[Sr+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],"InChI=1/2C15H24O.Sr/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2",C15H24O.1/2Sr,,,,,,JNCLGRVLJCCIMN-UHFFFAOYSA-L,,,,,,,,,,,
100.045.951,250-562-8,31311-74-7,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-benzoate","11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl benzoate",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c5ccccc5)C(=O)CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c5ccccc5)C(=O)CO,"InChI=1/C28H32O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,10,12,14,20-22,24,29,31H,8-9,11,13,15-16H2,1-2H3",C28H32O6,,,,,,SUJDKANSELPHHZ-YGZHYJPASA-N,,,,,,,,,,,
100.045.953,250-564-9,31314-16-6,(Z)-2-(octadec-9-enylamino)ethanol,2-(octadec-9-en-1-ylamino)ethanol,CCCCCCCC\\C=C/CCCCCCCCNCCO,CCCCCCCC\C=C/CCCCCCCCNCCO,"InChI=1/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h9-10,21-22H,2-8,11-20H2,1H3",C20H41NO,,,,,,ZMOMBHNITWAALH-KTKRTIGZSA-N,,,,,,,,,,,
100.045.954,250-565-4,31314-17-7,"(Z,Z)-2-(di-9-octadecenylamino)ethanol",2-(dioctadec-9-en-1-ylamino)ethanol,CCCCCCCC\\C=C/CCCCCCCCN(CCO)CCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCN(CCO)CCCCCCCC\C=C/CCCCCCCC,"InChI=1/C38H75NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-38-40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-38H2,1-2H3",C38H75NO,,,,,,QJWLXRCSILVSPL-CLFAGFIQSA-N,,,,,,,,,,,
100.043.760,248-151-3,26979-21-5,1-benzyl-4-phenylpiperidine-4-carbaldehyde,1-benzyl-4-phenylpiperidine-4-carbaldehyde,O=CC1(CCN(Cc2ccccc2)CC1)c3ccccc3,O=CC1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C19H21NO/c21-16-19(18-9-5-2-6-10-18)11-13-20(14-12-19)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2",C19H21NO,,,,,,ZBQJTCFWWZXZBG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.929,249-438-6,29103-60-4,N-[3-[bis(phenylmethyl)amino]phenyl]acetamide,N-[3-(dibenzylamino)phenyl]acetamide,CC(=O)Nc1cccc(c1)N(Cc2ccccc2)Cc3ccccc3,CC(=O)Nc1cccc(c1)N(Cc2ccccc2)Cc3ccccc3,"InChI=1/C22H22N2O/c1-18(25)23-21-13-8-14-22(15-21)24(16-19-9-4-2-5-10-19)17-20-11-6-3-7-12-20/h2-15H,16-17H2,1H3,(H,23,25)",C22H22N2O,,,,,,HQLFTQUBRWAEGR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.936,249-445-4,29112-90-1,"2',5'-difluoropropiophenone","1-(2,5-difluorophenyl)propan-1-one",CCC(=O)c1cc(F)ccc1F,CCC(=O)c1cc(F)ccc1F,"InChI=1/C9H8F2O/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3",C9H8F2O,,,,,,BXLHXHGCQFJTLA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.939,249-449-6,29118-70-5,"(1R*,2S*,5Z*,9E)-5,9-cyclododecadiene-1,2-diol","cyclododeca-5,9-diene-1,2-diol",OC1CCC=CCCC=CCCC1O,OC1CCC=CCCC=CCCC1O,"InChI=1/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-14H,1-2,7-10H2",C12H20O2,,,,,,BHYILZSOXKSYCF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.943,249-453-8,29124-55-8,"2,2'-dithiobis[5-chloroaniline]","2,2'-disulfanediylbis(5-chloroaniline)",Nc1cc(Cl)ccc1SSc2ccc(Cl)cc2N,Nc1cc(Cl)ccc1SSc2ccc(Cl)cc2N,"InChI=1/C12H10Cl2N2S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6H,15-16H2",C12H10Cl2N2S2,,,,,,XMIKJNSWZZMXKK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.944,249-454-3,29124-83-2,p-nitrobenzyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,4-nitrobenzyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-],CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-],"InChI=1/C15H15N3O5S/c1-8-7-24-14-11(16)13(19)17(14)12(8)15(20)23-6-9-2-4-10(5-3-9)18(21)22/h2-5,11,14H,6-7,16H2,1H3",C15H15N3O5S,,,,,,ABTUPEBOWRKQLD-FZMZJTMJSA-N,,,,,,,,,,,
100.044.949,249-460-6,29128-77-6,"3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","3-({2,2'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid",O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S(O)(=O)=O)S(O)(=O)=O)cc5C)c6ccc(C)cc6,O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S(O)(=O)=O)S(O)(=O)=O)cc5C)c6ccc(C)cc6,"InChI=1/C37H30N4O10S3/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48)",C37H30N4O10S3,,,,,,YSHSHWHUIBZXKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.950,249-461-1,29128-95-8,"5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc4ccccc4)n5,Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc4ccccc4)n5,"InChI=1/C25H18ClN7O10S3/c26-23-29-24(27-14-6-2-1-3-7-14)31-25(30-23)28-17-12-15(44(35,36)37)10-13-11-19(46(41,42)43)21(22(34)20(13)17)33-32-16-8-4-5-9-18(16)45(38,39)40/h1-12,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H2,27,28,29,30,31)",C25H18ClN7O10S3,,,,,,YWERRMQUIDISQM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.953,249-464-8,29134-54-1,[methylidynetris(oxymethylene)]trisbenzene,"1,1',1''-[methanetriyltris(oxymethylene)]tribenzene",C(OC(OCc1ccccc1)OCc2ccccc2)c3ccccc3,C(OC(OCc1ccccc1)OCc2ccccc2)c3ccccc3,"InChI=1/C22H22O3/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2",C22H22O3,,,,,,RVCMZHSHCNCMDS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.956,249-467-4,29136-19-4,Nonadecylbenzene,nonadecylbenzene,CCCCCCCCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCCCCCCCc1ccccc1,"InChI=1/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3",C25H44,,,,,,SHWJJBRTHGGZBE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.964,249-476-3,29167-65-5,"Tris[2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yloxy)ethyl]amine","2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yloxy)-N,N-bis[2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yloxy)ethyl]ethanamine",C(CN(CCO[Si]12OCCN(CCO1)CCO2)CCO[Si]34OCCN(CCO3)CCO4)O[Si]56OCCN(CCO5)CCO6,C(CN(CCO[Si]12OCCN(CCO1)CCO2)CCO[Si]34OCCN(CCO3)CCO4)O[Si]56OCCN(CCO5)CCO6,InChI=1/C24H48N4O12Si3/c1-13-29-41(30-14-2-25(1)3-15-31-41)38-22-10-28(11-23-39-42-32-16-4-26(5-17-33-42)6-18-34-42)12-24-40-43-35-19-7-27(8-20-36-43)9-21-37-43/h1-24H2,C24H48N4O12Si3,,,,,,FOBGJHFRTCZWAF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.966,249-478-4,29169-64-0,(R)-a-(formyloxy)benzeneacetyl chloride,2-chloro-2-oxo-1-phenylethyl formate,ClC(=O)[C@H](OC=O)c1ccccc1,ClC(=O)[C@H](OC=O)c1ccccc1,"InChI=1/C9H7ClO3/c10-9(12)8(13-6-11)7-4-2-1-3-5-7/h1-6,8H",C9H7ClO3,,,,,,ZNLABNPTWSKGDX-MRVPVSSYSA-N,,,,,,,,,,,
100.044.969,249-482-6,29171-20-8,"3,7-dimethyloct-6-en-1-yn-3-ol","3,7-dimethyloct-6-en-1-yn-3-ol",CC(=CCCC(C)(O)C#C)C,CC(=CCCC(C)(O)C#C)C,"InChI=1/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12800,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.969,YWTIDNZYLFTNQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.070,250-694-6,31551-28-7,(E)-2-methylpent-2-enenitrile,2-methylpent-2-enenitrile,CC\\C=C(/C)\\C#N,CC\C=C(/C)\C#N,"InChI=1/C6H9N/c1-3-4-6(2)5-7/h4H,3H2,1-2H3",C6H9N,,,,,,MLPZAALXVQOBFB-GQCTYLIASA-N,,,,,,,,,,,
100.042.448,246-709-0,25176-75-4,Ethylenebis(oxyethylene) dihexanoate,"ethane-1,2-diylbis(oxyethane-2,1-diyl) dihexanoate",CCCCCC(=O)OCCOCCOCCOC(=O)CCCCC,CCCCCC(=O)OCCOCCOCCOC(=O)CCCCC,"InChI=1/C18H34O6/c1-3-5-7-9-17(19)23-15-13-21-11-12-22-14-16-24-18(20)10-8-6-4-2/h3-16H2,1-2H3",C18H34O6,,,,,,WPMUZECMAFLDQO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.454,246-715-3,25182-80-3,"5,6-dibromocholestan-3ß-ol","5,6-dibromocholestan-3-ol",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(Br)C4(Br)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(Br)C4(Br)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H46Br2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27(29)16-19(30)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,30H,6-16H2,1-5H3",C27H46Br2O,,,,,,CEQDUQUVPZBDDR-XXGHXXDPSA-N,,,,,,,,,,,
100.042.456,246-717-4,25183-19-1,Isopentyl cyclohexanecarboxylate,3-methylbutyl cyclohexanecarboxylate,CC(C)CCOC(=O)C1CCCCC1,CC(C)CCOC(=O)C1CCCCC1,"InChI=1/C12H22O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,VLALRUKXGDUQFX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.457,246-719-5,25184-73-0,"Butyl 2-(2,4-dichlorophenoxy)propionate","butyl 2-(2,4-dichlorophenoxy)propanoate",CCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,CCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C13H16Cl2O3/c1-3-4-7-17-13(16)9(2)18-12-6-5-10(14)8-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3",C13H16Cl2O3,,,,,,BVZWLEASLFETCA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.458,246-720-0,25185-95-9,"2,6-dichlorobenzaldehyde oxime","2,6-dichlorobenzaldehyde oxime",O\\N=C\\c1c(Cl)cccc1Cl,O\N=C\c1c(Cl)cccc1Cl,"InChI=1/C7H5Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H",C7H5Cl2NO,,,,,,YBSXDWIAUZOFFV-ONNFQVAWSA-N,,,,,,,,,,,
100.042.461,246-723-7,25187-06-8,"2,2',5-trichlorobenzophenone","(2-chlorophenyl)(2,5-dichlorophenyl)methanone",Clc1ccc(Cl)c(c1)C(=O)c2ccccc2Cl,Clc1ccc(Cl)c(c1)C(=O)c2ccccc2Cl,InChI=1/C13H7Cl3O/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,C13H7Cl3O,,,,,,MKLXVYRSKJSNGW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.922,250-530-3,31249-95-3,"1,4,10-trioxa-7,13-diazacyclopentadecane","1,4,10-trioxa-7,13-diazacyclopentadecane",C1COCCNCCOCCOCCN1,C1COCCNCCOCCOCCN1,"InChI=1/C10H22N2O3/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1/h11-12H,1-10H2",C10H22N2O3,,,,,,STHIZMRUXPMSCW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.923,250-531-9,31250-06-3,"4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane","4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane",C1COCCN2CCOCCN(CCO1)CCOCC2,C1COCCN2CCOCCN(CCO1)CCOCC2,InChI=1/C14H28N2O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h1-14H2,C14H28N2O4,,,,,,LVNQVIZBPSRXAN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.924,250-532-4,31250-18-7,"2,3,5,6,8,9,11,12,14,15-decahydro-4,13-(ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine","2,3,5,6,8,9,11,12,14,15-decahydro-4,13-(ethanooxyethanooxyethano)-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine",C1COCCN2CCOCCOCCN(CCO1)CCOc3ccccc3OCC2,C1COCCN2CCOCCOCCN(CCO1)CCOc3ccccc3OCC2,"InChI=1/C22H36N2O6/c1-2-4-22-21(3-1)29-15-9-23-5-11-25-17-19-27-13-7-24(10-16-30-22)8-14-28-20-18-26-12-6-23/h1-4H,5-20H2",C22H36N2O6,,,,,,QXLUTPDNMOEWGG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.925,250-534-5,31251-03-3,"1-[diphenyl[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole","1-{diphenyl[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazole",FC(F)(F)c1cccc(c1)C(c2ccccc2)(c3ccccc3)n4cncn4,FC(F)(F)c1cccc(c1)C(c2ccccc2)(c3ccccc3)n4cncn4,"InChI=1/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H",C22H16F3N3,,,,,,LXMQMMSGERCRSU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.935,250-545-5,31282-04-9,Hygromycin B,"4-{[3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-(1-amino-2-hydroxyethyl)-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name)",CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O,CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O,"InChI=1/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3",C20H37N3O13,,,,,,GRRNUXAQVGOGFE-UKKLBUEASA-N,,,,,,,,,,,
100.045.937,250-547-6,31288-44-5,"1,5-diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone","1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)-9,10-anthraquinone",COc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N,COc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N,"InChI=1/C21H16N2O5/c1-28-10-4-2-9(3-5-10)11-8-14(25)17-18(19(11)23)21(27)16-13(24)7-6-12(22)15(16)20(17)26/h2-8,24-25H,22-23H2,1H3",C21H16N2O5,,,,,,XDWMUDQKNPIWDS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.939,250-549-7,31291-59-5,Diisopropyl-m-cresol,"2,4-diisopropyl-3-methylphenol",CC(C)c1ccc(O)c(C(C)C)c1C,CC(C)c1ccc(O)c(C(C)C)c1C,"InChI=1/C13H20O/c1-8(2)11-6-7-12(14)13(9(3)4)10(11)5/h6-9,14H,1-5H3",C13H20O,,,,,,NAOSNNNYJHAZGY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.944,250-554-4,31295-46-2,"N,N,N'-tris(2-aminoethyl)ethylenediamine","N,N,N'-tris(2-aminoethyl)ethane-1,2-diamine",NCCNCCN(CCN)CCN,NCCNCCN(CCN)CCN,"InChI=1/C8H23N5/c9-1-4-12-5-8-13(6-2-10)7-3-11/h12H,1-11H2",C8H23N5,,,,,,ZORWGXDYTKQJQG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.239,222-262-7,2/09/3398,4-m-tolylazo-m-toluidine,3-methyl-4-[(3-methylphenyl)diazenyl]aniline,Cc2cc(N=Nc1ccc(N)cc1C)ccc2,Cc2cc(N=Nc1ccc(N)cc1C)ccc2,"InChI=1/C14H15N3/c1-10-4-3-5-13(8-10)16-17-14-7-6-12(15)9-11(14)2/h3-9H,15H2,1-2H3",C14H15N3,,,,,,IVUQHXKKRQEFBU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.244,222-267-4,3399-73-3,Cyclohex-1-ene-1-ethylamine,2-cyclohex-1-en-1-ylethanamine,NCCC1=CCCCC1,NCCC1=CCCCC1,"InChI=1/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2",C8H15N,,,,,,IUDMXOOVKMKODN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.245,222-269-5,3400-45-1,Cyclopentanecarboxylic acid,cyclopentanecarboxylic acid,OC(=O)C1CCCC1,OC(=O)C1CCCC1,"InChI=1/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)",C6H10O2,,,,,,JBDSSBMEKXHSJF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.246,222-270-0,3400-55-3,"2-bromo-1,1-diethoxypropane","2-bromo-1,1-diethoxypropane",CCOC(OCC)C(C)Br,CCOC(OCC)C(C)Br,"InChI=1/C7H15BrO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5H2,1-3H3",C7H15BrO2,,,,,,AHIUAFXWZKCJLR-UHFFFAOYSA-N,,,,,,,,,,,
100.021.376,223-512-8,3934-84-7,"4,5-dihydroxy-m-anisic acid","3,4-dihydroxy-5-methoxybenzoic acid",COc1cc(cc(O)c1O)C(=O)O,COc1cc(cc(O)c1O)C(=O)O,"InChI=1/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",C8H8O5,,,,,,KWCCUYSXAYTNKA-UHFFFAOYSA-N,,,,,,,,,,,
100.021.379,223-515-4,3937-28-8,Allyldichlorosilane,allyl(dichloro)silane,Cl[SiH](Cl)CC=C,Cl[SiH](Cl)CC=C,"InChI=1/C3H6Cl2Si/c1-2-3-6(4)5/h2,6H,1,3H2",C3H6Cl2Si,,,,,,KPPHTHGHNJOVMY-UHFFFAOYSA-N,,,,,,,,,,,
100.021.386,223-523-8,1/09/3939,"2,4-difluorobenzonitrile","2,4-difluorobenzonitrile",Fc1ccc(C#N)c(F)c1,Fc1ccc(C#N)c(F)c1,InChI=1/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,C7H3F2N,,,,,,LJFDXXUKKMEQKE-UHFFFAOYSA-N,,,,,,,,,,,
100.021.391,223-529-0,3943-89-3,"Ethyl 3,4-dihydroxybenzoate","ethyl 3,4-dihydroxybenzoate",CCOC(=O)c1ccc(O)c(O)c1,CCOC(=O)c1ccc(O)c(O)c1,"InChI=1/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3",C9H10O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18793,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.391,KBPUBCVJHFXPOC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.396,223-534-8,3944-37-4,2-isopropoxypropanol,2-isopropoxypropan-1-ol,CC(C)OC(C)CO,CC(C)OC(C)CO,"InChI=1/C6H14O2/c1-5(2)8-6(3)4-7/h5-7H,4H2,1-3H3",C6H14O2,,,,,,ZFEKANLLFQEKED-UHFFFAOYSA-N,,,,,,,,,,,
100.021.398,223-536-9,9/10/3946,"(20S)-17,20,21-trihydroxypregn-4-en-3-one","17,20,21-trihydroxypregn-4-en-3-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)[C@@H](O)CO,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)[C@@H](O)CO,"InChI=1/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3",C21H32O4,,,,,,XNFSGLNHLVHCFT-MQWPULPWSA-N,,,,,,,,,,,
100.021.399,223-537-4,3946-29-0,"3,4'-dichloropropiophenone",3-chloro-1-(4-chlorophenyl)propan-1-one,ClCCC(=O)c1ccc(Cl)cc1,ClCCC(=O)c1ccc(Cl)cc1,"InChI=1/C9H8Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2",C9H8Cl2O,,,,,,AYFJBHFMQODYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.402,223-541-6,3949-36-8,3-acetylcoumarin,3-acetyl-2H-chromen-2-one,CC(=O)C1=Cc2ccccc2OC1=O,CC(=O)C1=Cc2ccccc2OC1=O,"InChI=1/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3",C11H8O3,,,,,,CSPIFKKOBWYOEX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.403,223-542-1,3950-21-8,"(R*,S*)-pentane-2,4-diol","pentane-2,4-diol",CC(O)CC(C)O,CC(O)CC(C)O,"InChI=1/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3",C5H12O2,,,,,,GTCCGKPBSJZVRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.404,223-543-7,3952-61-2,2-methylquinuclidin-3-ol,2-methylquinuclidin-3-ol,CC1C(O)C2CCN1CC2,CC1C(O)C2CCN1CC2,"InChI=1/C8H15NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-8,10H,2-5H2,1H3",C8H15NO,,,,,,VLJPCCPJHQAAQB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.778,220-655-8,2849-98-1,Pentyl methacrylate,pentyl methacrylate,CCCCCOC(=O)C(=C)C,CCCCCOC(=O)C(=C)C,"InChI=1/C9H16O2/c1-4-5-6-7-11-9(10)8(2)3/h2,4-7H2,1,3H3",C9H16O2,,,,,,GYDSPAVLTMAXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.783,220-661-0,2851-68-5,"Pyridine-2,6-dicarbaldehyde dioxime","pyridine-2,6-dicarbaldehyde dioxime",ON=Cc1cccc(C=NO)n1,ON=Cc1cccc(C=NO)n1,"InChI=1/C7H7N3O2/c11-8-4-6-2-1-3-7(10-6)5-9-12/h1-5,11-12H",C7H7N3O2,,,,,,JBWQJYCKKIWNAM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.788,220-666-8,2855-13-2,"3-aminomethyl-3,5,5-trimethylcyclohexylamine","3-(aminomethyl)-3,5,5-trimethylcyclohexanamine",CC1(C)CC(N)CC(C)(CN)C1,CC1(C)CC(N)CC(C)(CN)C1,"InChI=1/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3",C10H22N2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14449,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.788,RNLHGQLZWXBQNY-UHFFFAOYSA-N,Positive,SM865504;UF413401|UF413402|UF413403|UF413404,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,154.1589:171.1855:137.1324;154.1596:137.133:95.0859|95.0858:81.0702:137.133|154.1597:89.0713:107.0608|154.1596:89.0714:72.0445,CASMI_2016;UFZ,,,,,
100.018.791,220-669-4,2856-63-5,(o-chlorophenyl)acetonitrile,(2-chlorophenyl)acetonitrile,Clc1ccccc1CC#N,Clc1ccccc1CC#N,"InChI=1/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2",C8H6ClN,,,,,,MRDUURPIPLIGQX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.762,248-153-4,26981-81-7,"N,N-diethylheptylamine","N,N-diethylheptan-1-amine",CCCCCCCN(CC)CC,CCCCCCCN(CC)CC,"InChI=1/C11H25N/c1-4-7-8-9-10-11-12(5-2)6-3/h4-11H2,1-3H3",C11H25N,,,,,,YUCNJMBRLIZNMO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.765,248-157-6,26988-72-7,1-methyl-DL-tryptophan,1-methyl-L-tryptophan,Cn1cc(C[C@H](N)C(=O)O)c2ccccc12,Cn1cc(C[C@H](N)C(=O)O)c2ccccc12,"InChI=1/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)",C12H14N2O2,,,,,,ZADWXFSZEAPBJS-JTQLQIEISA-N,,,,,,,,,,,
100.043.773,248-166-5,27013-91-8,(4a)-3ß-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-28-oic acid,3-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)",C41H66O12,,,,,,KEOITPILCOILGM-LLJOFIFVSA-N,,,,,,,,,,,
100.043.777,248-170-7,27025-41-8,Bi(glutathion-S-yl),"5,5'-[disulfanediylbis({3-[(carboxymethyl)amino]-3-oxopropane-1,2-diyl}imino)]bis(2-amino-5-oxopentanoic acid) (non-preferred name)",N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,"InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)",C20H32N6O12S2,,,,,,YPZRWBKMTBYPTK-BJDJZHNGSA-N,,,,,,,,,,,
100.043.778,248-171-2,27025-49-6,Carfecillin,"3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c4ccccc4)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c4ccccc4)C(=O)N2[C@H]1C(=O)O,"InChI=1/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)",C23H22N2O6S,,,,,,NZDASSHFKWDBBU-KVMCETHSSA-N,,,,,,,,,,,
100.043.781,248-174-9,27031-07-8,"N-[4-[[[[(4,5-dimethyloxazol-2-yl)amino]iminomethyl]amino]sulphonyl]phenyl]acetamide","N-(4-{[(4,5-dimethyl-1,3-oxazol-2-yl)carbamimidoyl]sulfamoyl}phenyl)acetamide",CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=N)Nc2oc(C)c(C)n2,CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=N)Nc2oc(C)c(C)n2,"InChI=1/C14H17N5O4S/c1-8-9(2)23-14(16-8)18-13(15)19-24(21,22)12-6-4-11(5-7-12)17-10(3)20/h4-7H,1-3H3,(H,17,20)(H3,15,16,18,19)",C14H17N5O4S,,,,,,SFJOAFUQCAZGFH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.788,248-182-2,27043-05-6,"2-ethyl-3,-dimethylpyrazine","3-ethyl-2,5-dimethylpyrazine",CCc1nc(C)cnc1C,CCc1nc(C)cnc1C,"InChI=1/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3",C8H12N2,,,,,,WHMWOHBXYIZFPF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.798,248-193-2,27058-18-0,"1-benzoyl-1,4-dihydro-4-(1H-indol-3-yl)pyridine","3-(1-benzoyl-1,4-dihydropyridin-4-yl)-1H-indole",O=C(N1C=CC(C=C1)c2c[nH]c3ccccc23)c4ccccc4,O=C(N1C=CC(C=C1)c2c[nH]c3ccccc23)c4ccccc4,"InChI=1/C20H16N2O/c23-20(16-6-2-1-3-7-16)22-12-10-15(11-13-22)18-14-21-19-9-5-4-8-17(18)19/h1-15,21H",C20H16N2O,,,,,,WBAGVPNSMZETHA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.799,248-194-8,27058-83-9,4-chlorobenzothiazol-2-amine monohydrobromide,"4-chloro-1,3-benzothiazol-2-amine hydrobromide",Br.Nc1nc2c(Cl)cccc2s1,Br.Nc1nc2c(Cl)cccc2s1,"InChI=1/C7H5ClN2S.BrH/c8-4-2-1-3-5-6(4)10-7(9)11-5;/h1-3H,(H2,9,10);1H",C7H5ClN2S.BrH,,,,,,DXXACNSRSDYMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.800,248-195-3,27058-84-0,[2-hydroxy-3-(2-methoxyphenoxy)propyl]isopropylammonium chloride,2-hydroxy-N-isopropyl-3-(2-methoxyphenoxy)propan-1-aminium chloride,[Cl-].COc1ccccc1OCC(O)C[NH2+]C(C)C,[Cl-].COc1ccccc1OCC(O)C[NH2+]C(C)C,"InChI=1/C13H21NO3.ClH/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3;/h4-7,10-11,14-15H,8-9H2,1-3H3;1H",C13H21NO3.ClH,,,,,,JKEZSJIWQWVVQR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.512,244-580-5,21789-36-6,"2,4-dimethylbenzonitrile","2,4-dimethylbenzonitrile",Cc1ccc(C#N)c(C)c1,Cc1ccc(C#N)c(C)c1,"InChI=1/C9H9N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,1-2H3",C9H9N,,,,,,QLZDTHTXOUOSCV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.529,244-598-3,21829-25-4,Nifedipine,"dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C,COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C,"InChI=1/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3",C17H18N2O6,,,,,,HYIMSNHJOBLJNT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.530,244-599-9,21829-50-5,Tris[(2-hydroxyethyl)ammonium] citrate,tris(2-hydroxyethanaminium) citrate,[NH3+]CCO.[NH3+]CCO.[NH3+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH3+]CCO.[NH3+]CCO.[NH3+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3C2H7NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*3-1-2-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*4H,1-3H2",C6H8O7.3C2H7NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11916,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.530,USDOPHAAWSJWLS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.071,250-695-1,31551-45-8,"2,7-dinitro-9H-fluoren-9-one","2,7-dinitro-9H-fluoren-9-one",[O-][N+](=O)c1ccc2c3ccc(cc3C(=O)c2c1)[N+](=O)[O-],[O-][N+](=O)c1ccc2c3ccc(cc3C(=O)c2c1)[N+](=O)[O-],InChI=1/C13H6N2O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H,C13H6N2O5,,,,,,HDVGAFBXTXDYIB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.079,250-703-3,31565-37-4,Isotridecyl stearate,11-methyldodecyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C,"InChI=1/C31H62O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31(32)33-29-26-23-20-17-16-18-21-24-27-30(2)3/h30H,4-29H2,1-3H3",C31H62O2,,,,,,SRBSSROHORQGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.085,250-710-1,31571-52-5,"1,4,5,6-tetrahydro-5-thioxo-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one","5-thioxo-3,4,5,6-tetrahydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one",O=C1NC(=S)Nc2[nH]nnc12,O=C1NC(=S)Nc2[nH]nnc12,"InChI=1/C4H3N5OS/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)",C4H3N5OS,,,,,,YLORBLDFYRRZLA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.087,250-712-2,31574-44-4,2-isopropyl-4-methylanisole,2-isopropyl-1-methoxy-4-methylbenzene,COc1ccc(C)cc1C(C)C,COc1ccc(C)cc1C(C)C,"InChI=1/C11H16O/c1-8(2)10-7-9(3)5-6-11(10)12-4/h5-8H,1-4H3",C11H16O,,,,,,CVUAHQAQHICPSF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.089,250-714-3,31580-45-7,2-[3-(3-benzyl-4-methyl-4-thiazolin-2-ylidene)propenyl]-6-chloro-3-methylbenzoxazolium iodide,"2-[3-(3-benzyl-4-methyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-6-chloro-3-methyl-1,3-benzoxazol-3-ium iodide",[I-].C[n+]3c(C=CC=C2S\\C=C(\\C)N2Cc1ccccc1)oc4cc(Cl)ccc34,[I-].C[n+]3c(C=CC=C2S\C=C(\C)N2Cc1ccccc1)oc4cc(Cl)ccc34,"InChI=1/C22H20ClN2OS.HI/c1-16-15-27-22(25(16)14-17-7-4-3-5-8-17)10-6-9-21-24(2)19-12-11-18(23)13-20(19)26-21;/h3-13,15H,14H2,1-2H3;1H/q+1;/p-1",C22H20ClN2OS.I,,,,,,ZWMRMEUMYOTEGN-UHFFFAOYSA-M,,,,,,,,,,,
100.046.093,250-719-0,31586-77-3,Bismuth sodium tartrate,-,[BiH3+3].[Na+].O=C([O-])C(O)C(O)C([O-])=O,[BiH3+3].[Na+].O=C([O-])C(O)C(O)C([O-])=O,"InChI=1/C4H6O6.Bi.Na.3H/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;/q;+3;+1;;;/p-2/rC4H6O6.BiH3.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H3;/q;+3;+1/p-2",C4H6O6.xBi.xNa,,,,,,KCUPKLJADFPUEZ-UHFFFAOYSA-L,,,,,,,,,,,
100.046.099,250-725-3,31603-00-6,"4-butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-dione","1-[4-(benzyloxy)phenyl]-4-butyl-2-phenylpyrazolidine-3,5-dione",CCCCC1C(=O)N(N(C1=O)c2ccc(OCc3ccccc3)cc2)c4ccccc4,CCCCC1C(=O)N(N(C1=O)c2ccc(OCc3ccccc3)cc2)c4ccccc4,"InChI=1/C26H26N2O3/c1-2-3-14-24-25(29)27(21-12-8-5-9-13-21)28(26(24)30)22-15-17-23(18-16-22)31-19-20-10-6-4-7-11-20/h4-13,15-18,24H,2-3,14,19H2,1H3",C26H26N2O3,,,,,,VQAREFIHUMMGEN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.103,250-730-0,31612-53-0,"2-[2-(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride","1,3,3-trimethyl-2-[2-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)vinyl]-3H-indolium chloride",[Cl-].C[N+]1=C(\\C=C\\N2CCC(=N2)c3ccccc3)C(C)(C)c4ccccc14,[Cl-].C[N+]1=C(\C=C\N2CCC(=N2)c3ccccc3)C(C)(C)c4ccccc14,"InChI=1/C22H24N3.ClH/c1-22(2)18-11-7-8-12-20(18)24(3)21(22)14-16-25-15-13-19(23-25)17-9-5-4-6-10-17;/h4-12,14,16H,13,15H2,1-3H3;1H/q+1;/p-1",C22H24N3.Cl,,,,,,LREPJTVZWHYTSV-UHFFFAOYSA-M,,,,,,,,,,,
100.041.815,246-012-1,24083-13-4,p-(octyloxy)benzaldehyde,4-(octyloxy)benzaldehyde,CCCCCCCCOc1ccc(C=O)cc1,CCCCCCCCOc1ccc(C=O)cc1,"InChI=1/C15H22O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,13H,2-7,12H2,1H3",C15H22O2,,,,,,KVOWZHASDIKNFK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.816,246-013-7,24085-03-8,"a-[(benzyl-tert-butylamino)methyl]-m-xylene-4,a,a'-triol",4-{2-[benzyl(tert-butyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol,CC(C)(C)N(CC(O)c1ccc(O)c(CO)c1)Cc2ccccc2,CC(C)(C)N(CC(O)c1ccc(O)c(CO)c1)Cc2ccccc2,"InChI=1/C20H27NO3/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22/h4-11,19,22-24H,12-14H2,1-3H3",C20H27NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7338,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.816,NZBXAYHLQSMNQS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.820,246-017-9,24100-18-3,2-bromo-3-methoxypyridine,2-bromo-3-methoxypyridine,COc1cccnc1Br,COc1cccnc1Br,"InChI=1/C6H6BrNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3",C6H6BrNO,,,,,,PDOWLYNSFYZIQX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.831,246-029-4,24138-34-9,"Bis(2,4,6-tribromophenyl) fumarate","bis(2,4,6-tribromophenyl) but-2-enedioate",Brc1cc(Br)c(OC(=O)\\C=C\\C(=O)Oc2c(Br)cc(Br)cc2Br)c(Br)c1,Brc1cc(Br)c(OC(=O)\C=C\C(=O)Oc2c(Br)cc(Br)cc2Br)c(Br)c1,InChI=1/C16H6Br6O4/c17-7-3-9(19)15(10(20)4-7)25-13(23)1-2-14(24)26-16-11(21)5-8(18)6-12(16)22/h1-6H,C16H6Br6O4,,,,,,YLJNTEPTKSJUFE-OWOJBTEDSA-N,,,,,,,,,,,
100.041.833,246-032-0,24143-17-7,Oxazolam,"10-chloro-2-methyl-11b-phenyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-one",C[C@@H]1CN2CC(=O)Nc3ccc(Cl)cc3[C@@]2(O1)c4ccccc4,C[C@@H]1CN2CC(=O)Nc3ccc(Cl)cc3[C@@]2(O1)c4ccccc4,"InChI=1/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)",C18H17ClN2O2,,,,,,VCCZBYPHZRWKFY-XIKOKIGWSA-N,,,,,,,,,,,
100.041.837,246-036-2,24147-50-0,3-heptyl-1-phenyl-2-thiohydantoin,3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one,CCCCCCCN1C(=O)CN(C1=S)c2ccccc2,CCCCCCCN1C(=O)CN(C1=S)c2ccccc2,"InChI=1/C16H22N2OS/c1-2-3-4-5-9-12-17-15(19)13-18(16(17)20)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3",C16H22N2OS,,,,,,KJGKVKNUHXSXOH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.946,250-557-0,31295-54-2,"N-(2-aminoethyl)piperazine-1,4-diethylamine","N-{2-[4-(2-aminoethyl)piperazin-1-yl]ethyl}ethane-1,2-diamine",NCCNCCN1CCN(CCN)CC1,NCCNCCN1CCN(CCN)CC1,"InChI=1/C10H25N5/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15/h13H,1-12H2",C10H25N5,,,,,,CXNQJNPKMZRHBC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.948,250-559-1,31303-42-1,"Aqua[2-[3-(2,5-dihydroxyphenyl)-1-oxopropyl]cyclopentanonato][2-[[(2-hydroxy-5-nitrophenyl)imino]methyl]-3,5-dipropoxyphenolato(2-)]chromium","{1-[3-(2,5-dihydroxyphenyl)propanoyl]-2-oxocyclopentyl}[2-{[2-(hydroxy-kappaO)-5-nitrophenyl]diazenyl}-3,5-dipropoxyphenolato(2-)-kappaO]chromium",CCCOc1cc(OCCC)c2N=Nc3cc(ccc3O[Cr](Oc2c1)C4(CCCC4=O)C(=O)CCc5cc(O)ccc5O)N(=O)=O,CCCOc1cc(OCCC)c2N=Nc3cc(ccc3O[Cr](Oc2c1)C4(CCCC4=O)C(=O)CCc5cc(O)ccc5O)N(=O)=O,"InChI=1/C18H21N3O6.C14H15O4.Cr/c1-3-7-26-13-10-16(23)18(17(11-13)27-8-4-2)20-19-14-9-12(21(24)25)5-6-15(14)22;15-10-5-7-12(16)9(8-10)4-6-14(18)11-2-1-3-13(11)17;/h5-6,9-11,22-23H,3-4,7-8H2,1-2H3;5,7-8,15-16H,1-4,6H2;/q;;+2/p-2/rC32H34CrN3O10/c1-3-14-43-23-18-27(44-15-4-2)31-28(19-23)46-33(45-26-11-8-21(36(41)42)17-24(26)34-35-31)32(13-5-6-29(32)39)30(40)12-7-20-16-22(37)9-10-25(20)38/h8-11,16-19,37-38H,3-7,12-15H2,1-2H3",C33H37CrN2O11,,,,,,LOWXAOFCEDNSCC-UHFFFAOYSA-L,,,,,,,,,,,
100.045.952,250-563-3,31314-15-5,2-(octadecylamino)ethanol,2-(octadecylamino)ethanol,CCCCCCCCCCCCCCCCCCNCCO,CCCCCCCCCCCCCCCCCCNCCO,"InChI=1/C20H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h21-22H,2-20H2,1H3",C20H43NO,,,,,,YGCMLNDQGHTAPC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.955,250-567-5,31316-20-8,"(3ß,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate","9,10-secocholesta-5,7,10-trien-3-yl butyrate",CCCC(=O)O[C@@H]3C\\C(=C\\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)C(=C)CC3,CCCC(=O)O[C@@H]3C\C(=C\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)C(=C)CC3,"InChI=1/C31H50O2/c1-7-10-30(32)33-27-17-14-23(4)26(21-27)16-15-25-13-9-20-31(6)28(18-19-29(25)31)24(5)12-8-11-22(2)3/h15-16,22,24,27-29H,4,7-14,17-21H2,1-3,5-6H3",C31H50O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11372,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.955,QUUDUVNKJWQDFG-UYJKTMFQSA-N,,,,,,,,,,,
100.043.757,248-148-7,26968-58-1,(chloromethyl)ethylbenzene,1-(chloromethyl)-2-ethylbenzene,ClCc1ccccc1CC,ClCc1ccccc1CC,"InChI=1/C9H11Cl/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7H2,1H3",C9H11Cl,,,,,,IYRCFBNKBGBMIT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.758,248-149-2,26972-56-5,"N-(2,2-dimethoxyethyl)aniline","N-(2,2-dimethoxyethyl)aniline",COC(CNc1ccccc1)OC,COC(CNc1ccccc1)OC,"InChI=1/C10H15NO2/c1-12-10(13-2)8-11-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3",C10H15NO2,,,,,,HGWZXKUBDUDGSN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.759,248-150-8,26978-65-4,2-bromoethanesulphonic acid,2-bromoethanesulfonic acid,OS(=O)(=O)CCBr,OS(=O)(=O)CCBr,"InChI=1/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)",C2H5BrO3S,,,,,,OQFSYHWITGFERZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.761,248-152-9,26980-43-8,"1,1,1,2-tetrachloro-2,2-dimethyldisilane","1,1,1,2-tetrachloro-2,2-dimethyldisilane",C[Si](C)(Cl)[Si](Cl)(Cl)Cl,C[Si](C)(Cl)[Si](Cl)(Cl)Cl,"InChI=1/C2H6Cl4Si2/c1-7(2,3)8(4,5)6/h1-2H3",C2H6Cl4Si2,,,,,,PVGYYKBIUKOMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.766,248-158-1,26998-80-1,Trimethylphenol,"2,3,4-trimethylphenol",Cc1ccc(O)c(C)c1C,Cc1ccc(O)c(C)c1C,"InChI=1/C9H12O/c1-6-4-5-9(10)8(3)7(6)2/h4-5,10H,1-3H3",C9H12O,,,,,,XRUGBBIQLIVCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.767,248-159-7,26998-97-0,Calcium thiobis[dodecylphenolate],"calcium 3,3'-sulfanediylbis(2-dodecylphenolate)",[Ca+2].CCCCCCCCCCCCc1c([O-])cccc1Sc2cccc([O-])c2CCCCCCCCCCCC,[Ca+2].CCCCCCCCCCCCc1c([O-])cccc1Sc2cccc([O-])c2CCCCCCCCCCCC,"InChI=1/C36H58O2S.Ca/c1-3-5-7-9-11-13-15-17-19-21-25-31-33(37)27-23-29-35(31)39-36-30-24-28-34(38)32(36)26-22-20-18-16-14-12-10-8-6-4-2;/h23-24,27-30,37-38H,3-22,25-26H2,1-2H3;/q;+2/p-2",C36H58O2S.Ca,,,,,,CKBXIYXJPWPKFD-UHFFFAOYSA-L,,,,,,,,,,,
100.043.771,248-163-9,27012-22-2,5-methyl-2-phenylpyridine,5-methyl-2-phenylpyridine,Cc1ccc(nc1)c2ccccc2,Cc1ccc(nc1)c2ccccc2,"InChI=1/C12H11N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-9H,1H3",C12H11N,,,,,,ZYLPQYYLLRBVOK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.783,248-177-5,27031-18-1,Phenyl (chloroformyl)phenylacetate,phenyl 3-chloro-3-oxo-2-phenylpropanoate,ClC(=O)C(C(=O)Oc1ccccc1)c2ccccc2,ClC(=O)C(C(=O)Oc1ccccc1)c2ccccc2,"InChI=1/C15H11ClO3/c16-14(17)13(11-7-3-1-4-8-11)15(18)19-12-9-5-2-6-10-12/h1-10,13H",C15H11ClO3,,,,,,MCVBDJMXSHYJAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.787,248-181-7,27039-84-5,Non-5-en-2-one,non-5-en-2-one,CCCC=CCCC(C)=O,CCCC=CCCC(C)=O,"InChI=1/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3",C9H16O,,,,,,RXFZCBZCGBDPDT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.791,248-185-9,27043-37-4,"2,2',2'',2'''-[ethane-1,2-diylidenetetrakis(phenyleneoxymethylene)]tetraoxirane","2,2',2'',2'''-[ethane-1,1,2,2-tetrayltetrakis(2,1-phenyleneoxymethylene)]tetraoxirane",C(Oc1ccccc1C(C(c2ccccc2OCC3CO3)c4ccccc4OCC5CO5)c6ccccc6OCC7CO7)C8CO8,C(Oc1ccccc1C(C(c2ccccc2OCC3CO3)c4ccccc4OCC5CO5)c6ccccc6OCC7CO7)C8CO8,"InChI=1/C38H38O8/c1-5-13-33(43-21-25-17-39-25)29(9-1)37(30-10-2-6-14-34(30)44-22-26-18-40-26)38(31-11-3-7-15-35(31)45-23-27-19-41-27)32-12-4-8-16-36(32)46-24-28-20-42-28/h1-16,25-28,37-38H,17-24H2",C38H38O8,,,,,,BJSADSPMCGIFMP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.793,248-188-5,27048-04-0,6-chloro-3-nitropyridin-2-ylamine,6-chloro-3-nitropyridin-2-amine,Nc1nc(Cl)ccc1[N+](=O)[O-],Nc1nc(Cl)ccc1[N+](=O)[O-],"InChI=1/C5H4ClN3O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,(H2,7,8)",C5H4ClN3O2,,,,,,WERABQRUGJIMKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.792,220-671-5,2857-83-2,"5a,6a-epoxy-3ß,17-dihydroxy-16a-methylpregnan-20-one 3-acetate","17-hydroxy-16-methyl-20-oxo-5,6-epoxypregnan-3-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](CC[C@]5(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C)OC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](CC[C@]5(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C)OC(=O)C,"InChI=1/C24H36O5/c1-13-10-19-17-11-20-23(29-20)12-16(28-15(3)26)6-8-21(23,4)18(17)7-9-22(19,5)24(13,27)14(2)25/h13,16-20,27H,6-12H2,1-5H3",C24H36O5,,,,,,ZZEABJWXAVDRKW-KJXDMYTJSA-N,,,,,,,,,,,
100.018.793,220-672-0,2857-97-8,Bromotrimethylsilane,bromo(trimethyl)silane,C[Si](C)(C)Br,C[Si](C)(C)Br,"InChI=1/C3H9BrSi/c1-5(2,3)4/h1-3H3",C3H9BrSi,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6190,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.793,IYYIVELXUANFED-UHFFFAOYSA-N,,,,,,,,,,,
100.018.795,220-674-1,2859-16-7,"(5a,6a)-7,8-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan","3,6-dimethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan",CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3",C19H23NO3,,,,,,HGPQAWTZLJXCTC-SSTWWWIQSA-N,,,,,,,,,,,
100.018.797,220-676-2,2859-68-9,3-(2-pyridyl)propan-1-ol,3-pyridin-2-ylpropan-1-ol,OCCCc1ccccn1,OCCCc1ccccn1,"InChI=1/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,3,5,7H2",C8H11NO,,,,,,FVZXYJDGVYLMDB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.798,220-677-8,2859-78-1,4-bromoveratrole,"4-bromo-1,2-dimethoxybenzene",COc1ccc(Br)cc1OC,COc1ccc(Br)cc1OC,"InChI=1/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3",C8H9BrO2,,,,,,KBTMGSMZIKLAHN-UHFFFAOYSA-N,,,,,,,,,,,
100.018.807,220-687-2,2867-20-1,N-DL-alanyl-DL-alanine,L-alanyl-L-alanine,C[C@H](NC(=O)[C@H](C)N)C(O)=O,C[C@H](NC(=O)[C@H](C)N)C(O)=O,"InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)",C6H12N2O3,,,,,,DEFJQIDDEAULHB-IMJSIDKUSA-N,Positive/Negative,ML004601,[M+H]+,HCD50,90.0547:115.0863:113.0233,MetaboLights,ML004651,[M-H]-,HCD50,159.0775:88.0405:115.0877,MetaboLights
100.018.810,220-690-9,2868-37-3,Methyl cyclopropanecarboxylate,methyl cyclopropanecarboxylate,COC(=O)C1CC1,COC(=O)C1CC1,"InChI=1/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3",C5H8O2,,,,,,PKAHQJNJPDVTDP-UHFFFAOYSA-N,,,,,,,,,,,
100.018.814,220-695-6,2869-83-2,3-(diethylamino)-7-[[p-(dimethylamino)phenyl]azo]-5-phenylphenazinium chloride,3-(diethylamino)-7-{[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride,[Cl-].CN(C)c1ccc(cc1)N=Nc2cc3[n+](c4cc(ccc4nc3cc2)N(CC)CC)c5ccccc5,[Cl-].CN(C)c1ccc(cc1)N=Nc2cc3[n+](c4cc(ccc4nc3cc2)N(CC)CC)c5ccccc5,"InChI=1/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1",C30H31N6.Cl,,,,,,XXACTDWGHQXLGW-UHFFFAOYSA-M,,,,,,,,,,,
100.018.815,220-696-1,4/04/2870,2-ethyl-m-xylene,"2-ethyl-1,3-dimethylbenzene",CCc1c(C)cccc1C,CCc1c(C)cccc1C,"InChI=1/C10H14/c1-4-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3",C10H14,,,,,,CHIKRULMSSADAF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.818,220-699-8,2870-60-2,Sodium 2-(acetylamino)benzoate,sodium 2-acetamidobenzoate,[Na+].CC(=O)Nc1ccccc1C(=O)[O-],[Na+].CC(=O)Nc1ccccc1C(=O)[O-],"InChI=1/C9H9NO3.Na/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);/q;+1/p-1",C9H9NO3.Na,,,,,,APMVQZYXLHWCLT-UHFFFAOYSA-M,,,,,,,,,,,
100.018.819,220-700-1,2870-71-5,N-methylatropinium bromide,"3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane",C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,"InChI=1/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1",C18H26NO3.Br,,,,,,PIPAJLPNWZMYQA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.820,220-701-7,4/01/2871,2-(4-amino-2-nitroanilino)ethanol,2-[(4-amino-2-nitrophenyl)amino]ethanol,Nc1ccc(NCCO)c(c1)[N+](=O)[O-],Nc1ccc(NCCO)c(c1)[N+](=O)[O-],"InChI=1/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2",C8H11N3O3,,,,,,GZGZVOLBULPDFD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.822,220-703-8,2872-48-2,"1,4-diamino-2-methoxyanthraquinone","1,4-diamino-2-methoxy-9,10-anthraquinone",COc1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,COc1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C15H12N2O3/c1-20-10-6-9(16)11-12(13(10)17)15(19)8-5-3-2-4-7(8)14(11)18/h2-6H,16-17H2,1H3",C15H12N2O3,,,,,,TUXJTJITXCHUEL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.823,220-704-3,2872-52-8,2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethanol,2-(ethyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethanol,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCO)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCO)cc2,"InChI=1/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3",C16H18N4O3,,,,,,FOQABOMYTOFLPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.826,220-708-5,2873-18-9,2-bromo-5-chlorothiophene,2-bromo-5-chlorothiophene,Clc1ccc(Br)s1,Clc1ccc(Br)s1,InChI=1/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H,C4H2BrClS,,,,,,ZFAJPWYXLYGUJU-UHFFFAOYSA-N,,,,,,,,,,,
100.016.874,218-561-7,2182-55-0,(vinyloxy)cyclohexane,(vinyloxy)cyclohexane,C=COC1CCCCC1,C=COC1CCCCC1,"InChI=1/C8H14O/c1-2-9-8-6-4-3-5-7-8/h2,8H,1,3-7H2",C8H14O,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/12059,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.874,VGIYPVFBQRUBDD-UHFFFAOYSA-N,,,,,,,,,,,
100.018.377,220-215-5,2672-58-4,"Trimethyl benzene-1,3,5-tricarboxylate","trimethyl benzene-1,3,5-tricarboxylate",COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC,COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC,"InChI=1/C12H12O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h4-6H,1-3H3",C12H12O6,,,,,,RGCHNYAILFZUPL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.536,244-606-5,21835-01-8,3-ethyl-2-hydroxycyclopent-2-en-1-one,3-ethyl-2-hydroxycyclopent-2-en-1-one,CCC1=C(O)C(=O)CC1,CCC1=C(O)C(=O)CC1,"InChI=1/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3",C7H10O2,,,,,,JHWFWLUAUPZUCP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.537,244-607-0,21835-54-1,"Glutaric acid, compound with urea (1:1)",pentanedioic acid - urea (1:1),NC(=O)N.OC(=O)CCCC(=O)O,NC(=O)N.OC(=O)CCCC(=O)O,"InChI=1/C5H8O4.CH4N2O/c6-4(7)2-1-3-5(8)9;2-1(3)4/h1-3H2,(H,6,7)(H,8,9);(H4,2,3,4)",C5H8O4.CH4N2O,,,,,,FWNHWJYVALADEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.539,244-609-1,21838-80-2,"5,a-dimethyloxazolidine-3-ethanol","1-(5-methyl-1,3-oxazolidin-3-yl)propan-2-ol",CC(O)CN1COC(C)C1,CC(O)CN1COC(C)C1,"InChI=1/C7H15NO2/c1-6(9)3-8-4-7(2)10-5-8/h6-7,9H,3-5H2,1-2H3",C7H15NO2,,,,,,AOMORPLAHSIXNB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.540,244-610-7,21839-86-1,N-(4-chloro-2-methylphenyl)-3-hydroxy-4-[(2-methylphenyl)azo]naphthalene-2-carboxamide,N-(4-chloro-2-methylphenyl)-3-hydroxy-4-[(2-methylphenyl)diazenyl]-2-naphthamide,Clc4cc(C)c(NC(=O)c3cc1ccccc1c(N=Nc2ccccc2C)c3O)cc4,Clc4cc(C)c(NC(=O)c3cc1ccccc1c(N=Nc2ccccc2C)c3O)cc4,"InChI=1/C25H20ClN3O2/c1-15-7-3-6-10-22(15)28-29-23-19-9-5-4-8-17(19)14-20(24(23)30)25(31)27-21-12-11-18(26)13-16(21)2/h3-14,30H,1-2H3,(H,27,31)",C25H20ClN3O2,,,,,,OXODWVRIYDVVMU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.545,244-615-4,21850-40-8,"Di-tert-butyl 2,4,4-trimethyldiperoxyadipate","di-tert-butyl 2,4,4-trimethylhexanediperoxoate",CC(CC(C)(C)CC(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C,CC(CC(C)(C)CC(=O)OOC(C)(C)C)C(=O)OOC(C)(C)C,"InChI=1/C17H32O6/c1-12(14(19)21-23-16(5,6)7)10-17(8,9)11-13(18)20-22-15(2,3)4/h12H,10-11H2,1-9H3",C17H32O6,,,,,,BXBGCAYZSCEGBY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.546,244-617-5,21850-44-2,"1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]","1,1'-propane-2,2-diylbis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]",CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c2cc(Br)c(OCC(Br)CBr)c(Br)c2,CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c2cc(Br)c(OCC(Br)CBr)c(Br)c2,"InChI=1/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3",C21H20Br8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13876,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.546,LXIZRZRTWSDLKK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.549,244-620-1,21853-83-8,"16-a,17-a-epoxy-3,20-dioxopregn-4-en-21-yl acetate","3,20-dioxo-16,17-epoxypregn-4-en-21-yl acetate",CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,"InChI=1/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3",C23H30O5,,,,,,QZHWBQCNOKNTPO-UIHBBMEUSA-N,,,,,,,,,,,
100.040.550,244-621-7,21856-68-8,Lithium sulphamate,lithium sulfamate,[Li+].NS(=O)(=O)[O-],[Li+].NS(=O)(=O)[O-],"InChI=1/Li.H3NO3S/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",H3NO3S.Li,,,,,,SAPIQCCFEBULSH-UHFFFAOYSA-M,,,,,,,,,,,
100.040.553,244-624-3,21875-81-0,"1,1'-oxydioctan-2-ol","1,1'-oxydioctan-2-ol",CCCCCCC(O)COCC(O)CCCCCC,CCCCCCC(O)COCC(O)CCCCCC,"InChI=1/C16H34O3/c1-3-5-7-9-11-15(17)13-19-14-16(18)12-10-8-6-4-2/h15-18H,3-14H2,1-2H3",C16H34O3,,,,,,TVPBCGITZQHSSI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.554,244-625-9,21876-21-1,"Disodium 9,9-bis(2-carbamoylethyl)fluorene-2,7-disulphonate","disodium 9,9-bis(3-amino-3-oxopropyl)-9H-fluorene-2,7-disulfonate",[Na+].[Na+].NC(=O)CCC1(CCC(=O)N)c2cc(ccc2c3ccc(cc13)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].NC(=O)CCC1(CCC(=O)N)c2cc(ccc2c3ccc(cc13)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C19H20N2O8S2.2Na/c20-17(22)5-7-19(8-6-18(21)23)15-9-11(30(24,25)26)1-3-13(15)14-4-2-12(10-16(14)19)31(27,28)29;;/h1-4,9-10H,5-8H2,(H2,20,22)(H2,21,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C19H20N2O8S2.2Na,,,,,,MPORKCDRPUTZSO-UHFFFAOYSA-L,,,,,,,,,,,
100.042.470,246-733-1,25209-52-3,(1-hydroxycyclopentyl)phenylacetic acid,(1-hydroxycyclopentyl)(phenyl)acetic acid,OC(=O)C(c1ccccc1)C2(O)CCCC2,OC(=O)C(c1ccccc1)C2(O)CCCC2,"InChI=1/C13H16O3/c14-12(15)11(10-6-2-1-3-7-10)13(16)8-4-5-9-13/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)",C13H16O3,,,,,,MHVVPVXRMHIATI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.479,246-743-6,25234-25-7,2-ethyloctanoic acid,2-ethyloctanoic acid,CCCCCCC(CC)C(=O)O,CCCCCCC(CC)C(=O)O,"InChI=1/C10H20O2/c1-3-5-6-7-8-9(4-2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",C10H20O2,,,,,,DMUXSGAKEXSNGN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.484,246-748-3,25238-43-1,Trimethylammonium nitrate,"N,N-dimethylmethanaminium nitrate",C[NH+](C)C.[O-][N+](=O)[O-],C[NH+](C)C.[O-][N+](=O)[O-],InChI=1/C3H9N.NO3/c1-4(2)3;2-1(3)4/h1-3H3;/q;-1/p+1,C3H9N.HNO3,,,,,,YSXXGOKILPYXSH-UHFFFAOYSA-O,,,,,,,,,,,
100.042.495,246-760-9,25252-68-0,"5-hydroxy-4,4-dimethylvaleronitrile","5-hydroxy-4,4-dimethylpentanenitrile",CC(C)(CO)CCC#N,CC(C)(CO)CCC#N,"InChI=1/C7H13NO/c1-7(2,6-9)4-3-5-8/h9H,3-4,6H2,1-2H3",C7H13NO,,,,,,LPRMANDJSIXLBP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.499,246-765-6,25263-97-2,Isobutyl myristate,isobutyl myristate,CCCCCCCCCCCCCC(=O)OCC(C)C,CCCCCCCCCCCCCC(=O)OCC(C)C,"InChI=1/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17(2)3/h17H,4-16H2,1-3H3",C18H36O2,,,,,,SKVCWXRLKHBEKW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.838,246-037-8,24149-26-6,"3,4-dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-one","3,4-dihydroxy-4-(1-hydroxy-4-methylpent-3-en-1-yl)-2-(3-methylbutanoyl)-5-(3-methylbut-2-en-1-yl)cyclopent-2-en-1-one",CC(C)CC(=O)C1=C(O)C(O)(C(O)CC=C(C)C)C(CC=C(C)C)C1=O,CC(C)CC(=O)C1=C(O)C(O)(C(O)CC=C(C)C)C(CC=C(C)C)C1=O,"InChI=1/C21H32O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,17,23,25-26H,9-11H2,1-6H3",C21H32O5,,,,,,LOONUJJGHHFUCE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.839,246-038-3,24151-54-0,4-[[2-(acetoxy)ethyl](phenylmethyl)amino]-2-chloro-5-(2-methoxyethoxy)benzenediazonium tetrafluoroborate,4-[(2-acetoxyethyl)(benzyl)amino]-2-chloro-5-(2-methoxyethoxy)benzenediazonium tetrafluoroborate,COCCOc1cc([N+]#N)c(Cl)cc1N(CCOC(=O)C)Cc2ccccc2.F[B-](F)(F)F,COCCOc1cc([N+]#N)c(Cl)cc1N(CCOC(=O)C)Cc2ccccc2.F[B-](F)(F)F,"InChI=1/C20H23ClN3O4.BF4/c1-15(25)27-9-8-24(14-16-6-4-3-5-7-16)19-12-17(21)18(23-22)13-20(19)28-11-10-26-2;2-1(3,4)5/h3-7,12-13H,8-11,14H2,1-2H3;/q+1;-1",C20H23ClN3O4.BF4,,,,,,GMCXTHQMFNWPNR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.842,246-042-5,24155-42-8,"a-(2,4-dichlorophenyl)-1H-imidazole-1-ethanol","1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol",OC(Cn1ccnc1)c2ccc(Cl)cc2Cl,OC(Cn1ccnc1)c2ccc(Cl)cc2Cl,"InChI=1/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2",C11H10Cl2N2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18973,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.842,UKVLTPAGJIYSGN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.849,246-049-3,24168-42-1,a-methylnaphthalene-1-acetonitrile,2-(1-naphthyl)propanenitrile,CC(C#N)c1cccc2ccccc12,CC(C#N)c1cccc2ccccc12,"InChI=1/C13H11N/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3",C13H11N,,,,,,VQRBAFPBJMOCCK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.852,246-053-5,24169-02-6,"1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazolium nitrate","3-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-ium nitrate",[O-][N+](=O)[O-].Clc1ccc(COC(C[n+]2cc[nH]c2)c3ccc(Cl)cc3Cl)cc1,[O-][N+](=O)[O-].Clc1ccc(COC(C[n+]2cc[nH]c2)c3ccc(Cl)cc3Cl)cc1,"InChI=1/C18H15Cl3N2O.NO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;/q;-1/p+1",C18H15Cl3N2O.HNO3,,,,,,OKHLIYJAUVITMY-UHFFFAOYSA-O,,,,,,,,,,,
100.041.854,246-055-6,24169-46-8,"2-(bromomethyl)-2-(2-methoxyphenyl)-1,3-dioxolane","2-(bromomethyl)-2-(2-methoxyphenyl)-1,3-dioxolane",COc1ccccc1C2(CBr)OCCO2,COc1ccccc1C2(CBr)OCCO2,"InChI=1/C11H13BrO3/c1-13-10-5-3-2-4-9(10)11(8-12)14-6-7-15-11/h2-5H,6-8H2,1H3",C11H13BrO3,,,,,,XCLLPJSXFBJCSX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.856,246-057-7,24170-48-7,3-[(2-hydroxyethyl)[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile,"3-[(2-hydroxyethyl)(4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl)amino]propanenitrile",N#CCCN(CCO)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)S(C)(=O)=O,N#CCCN(CCO)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)S(C)(=O)=O,"InChI=1/C19H19N5O3S2/c1-29(26,27)16-7-8-17-18(13-16)28-19(21-17)23-22-14-3-5-15(6-4-14)24(11-12-25)10-2-9-20/h3-8,13,25H,2,10-12H2,1H3",C19H19N5O3S2,,,,,,ZDFGMUPYJLPKGD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.872,246-075-5,24207-00-9,5-hydroxy-2-methylpyridine 1-oxide,6-methylpyridin-3-ol 1-oxide,Cc1ccc(O)c[n+]1[O-],Cc1ccc(O)c[n+]1[O-],"InChI=1/C6H7NO2/c1-5-2-3-6(8)4-7(5)9/h2-4,8H,1H3",C6H7NO2,,,,,,RFESWJXQFMZDBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.873,246-076-0,24207-38-3,N-(2-hydroxyethyl)salicylamide,2-hydroxy-N-(2-hydroxyethyl)benzamide,OCCNC(=O)c1ccccc1O,OCCNC(=O)c1ccccc1O,"InChI=1/C9H11NO3/c11-6-5-10-9(13)7-3-1-2-4-8(7)12/h1-4,11-12H,5-6H2,(H,10,13)",C9H11NO3,,,,,,NCPLWPQEVIBZKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.874,246-077-6,24207-41-8,"2,4-dihydroxy-N-(2-hydroxyethyl)benzamide","2,4-dihydroxy-N-(2-hydroxyethyl)benzamide",OCCNC(=O)c1ccc(O)cc1O,OCCNC(=O)c1ccc(O)cc1O,"InChI=1/C9H11NO4/c11-4-3-10-9(14)7-2-1-6(12)5-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14)",C9H11NO4,,,,,,HHSJOVPBCHTADG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.500,247-866-8,26638-66-4,"3,11-dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide","3,11-dichloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide",CN1c2ccccc2C(Cl)c3ccc(Cl)cc3S1(=O)=O,CN1c2ccccc2C(Cl)c3ccc(Cl)cc3S1(=O)=O,"InChI=1/C14H11Cl2NO2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,1H3",C14H11Cl2NO2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18999,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.500,FHICZIHQHGRZLE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.501,247-867-3,26639-29-2,5-[[(1-hydroxy-2-naphthyl)carbonyl]octadecylamino]phthalic acid,4-[(1-hydroxy-2-naphthoyl)(octadecyl)amino]phthalic acid,CCCCCCCCCCCCCCCCCCN(C(=O)c1ccc2ccccc2c1O)c3ccc(C(=O)O)c(c3)C(=O)O,CCCCCCCCCCCCCCCCCCN(C(=O)c1ccc2ccccc2c1O)c3ccc(C(=O)O)c(c3)C(=O)O,"InChI=1/C37H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38(29-23-25-31(36(41)42)33(27-29)37(43)44)35(40)32-24-22-28-20-17-18-21-30(28)34(32)39/h17-18,20-25,27,39H,2-16,19,26H2,1H3,(H,41,42)(H,43,44)",C37H49NO6,,,,,,SBMCDVLTCBRZHN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.502,247-868-9,26640-04-0,"18-carboxy-8,12-diethyl-3,7,13,17-tetramethyl-21H,23H-porphine-2-propionic acid","18-(2-carboxyethyl)-8,12-diethyl-3,7,13,17-tetramethylporphine-2-carboxylic acid",CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)CC)C(=C4C(=O)O)C)C(=C3C)CCC(=O)O,CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)CC)C(=C4C(=O)O)C)C(=C3C)CCC(=O)O,"InChI=1/C32H32N4O4/c1-7-19-15(3)22-11-24-17(5)21(9-10-30(37)38)28(35-24)14-29-31(32(39)40)18(6)25(36-29)12-23-16(4)20(8-2)27(34-23)13-26(19)33-22/h11-14H,7-10H2,1-6H3,(H,37,38)(H,39,40)",C32H34N4O4,,,,,,DCTQJJYAOXUUTR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.795,248-190-6,27050-41-5,Clenpirin,"N-(1-butylpyrrolidin-2-ylidene)-3,4-dichloroaniline",CCCCN2CCCC2=Nc1ccc(Cl)c(Cl)c1,CCCCN2CCCC2=Nc1ccc(Cl)c(Cl)c1,"InChI=1/C14H18Cl2N2/c1-2-3-8-18-9-4-5-14(18)17-11-6-7-12(15)13(16)10-11/h6-7,10H,2-5,8-9H2,1H3",C14H18Cl2N2,,,,,,MKSYSNRVVYYBIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.797,248-192-7,27057-71-2,Dihydrogen hexachloroosmate(2-),osmium(6+) hexachloride,Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Os/h6*1H;/q;;;;;;+6/p-6/rCl6Os/c1-7(2,3,4,5)6",Cl6Os.2H,,,,,,UTIXXJBEMJZGFB-UHFFFAOYSA-H,,,,,,,,,,,
100.043.801,248-196-9,27059-08-1,"2,2'-[(3-acetamidophenyl)imino]diethyl diacetate","[(3-acetamidophenyl)imino]diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c1cc(ccc1)NC(C)=O,CC(=O)OCCN(CCOC(C)=O)c1cc(ccc1)NC(C)=O,"InChI=1/C16H22N2O5/c1-12(19)17-15-5-4-6-16(11-15)18(7-9-22-13(2)20)8-10-23-14(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,19)",C16H22N2O5,,,,,,QHMJTMSGRAGQMU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.509,244-576-3,21778-29-0,"Lauric acid, compound with morpholine (1:1)",dodecanoic acid - morpholine (1:1),CCCCCCCCCCCC(=O)O.C1COCCN1,CCCCCCCCCCCC(=O)O.C1COCCN1,"InChI=1/C12H24O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-6-4-2-5-1/h2-11H2,1H3,(H,13,14);5H,1-4H2",C12H24O2.C4H9NO,,,,,,XOCPFOARSHYLBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.510,244-577-9,21784-53-2,"1H-2,3-benzothiazin-4(3H)-one 2,2-dioxide","1H-2,3-benzothiazin-4(3H)-one 2,2-dioxide",O=C1NS(=O)(=O)Cc2ccccc12,O=C1NS(=O)(=O)Cc2ccccc12,"InChI=1/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)",C8H7NO3S,,,,,,UYXCSOAMZMOWRY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.516,244-584-7,21799-87-1,"Potassium 2,5-dihydroxybenzenesulphonate","potassium 2,5-dihydroxybenzenesulfonate",[K+].Oc1ccc(O)c(c1)S(=O)(=O)[O-],[K+].Oc1ccc(O)c(c1)S(=O)(=O)[O-],"InChI=1/C6H6O5S.K/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);/q;+1/p-1",C6H6O5S.K,,,,,,VKDSBABHIXQFKH-UHFFFAOYSA-M,,,,,,,,,,,
100.040.518,244-586-8,21810-19-5,1-amino-2-[(phenylimino)methyl]anthraquinone,"1-amino-2-[(phenylimino)methyl]-9,10-anthraquinone",O=C4c1ccccc1C(=O)c3c4ccc(C=Nc2ccccc2)c3N,O=C4c1ccccc1C(=O)c3c4ccc(C=Nc2ccccc2)c3N,"InChI=1/C21H14N2O2/c22-19-13(12-23-14-6-2-1-3-7-14)10-11-17-18(19)21(25)16-9-5-4-8-15(16)20(17)24/h1-12H,22H2",C21H14N2O2,,,,,,XKHYBYCPDSPUIG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.519,244-587-3,21810-29-7,4-nitro-1-(phenylthio)acridin-9(10H)-one,4-nitro-1-(phenylsulfanyl)acridin-9(10H)-one,[O-][N+](=O)c1ccc(Sc2ccccc2)c3C(=O)c4ccccc4Nc13,[O-][N+](=O)c1ccc(Sc2ccccc2)c3C(=O)c4ccccc4Nc13,"InChI=1/C19H12N2O3S/c22-19-13-8-4-5-9-14(13)20-18-15(21(23)24)10-11-16(17(18)19)25-12-6-2-1-3-7-12/h1-11H,(H,20,22)",C19H12N2O3S,,,,,,GXVKCZFAZONQGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.525,244-594-1,21824-93-1,"Butyl 2,3,4,4,4-pentachlorocrotonate","butyl 2,3,4,4,4-pentachlorobut-2-enoate",CCCCOC(=O)\\C(=C(/Cl)\\C(Cl)(Cl)Cl)\\Cl,CCCCOC(=O)\C(=C(/Cl)\C(Cl)(Cl)Cl)\Cl,"InChI=1/C8H9Cl5O2/c1-2-3-4-15-7(14)5(9)6(10)8(11,12)13/h2-4H2,1H3",C8H9Cl5O2,,,,,,XZSVYPVMTCFPMI-AATRIKPKSA-N,,,,,,,,,,,
100.040.531,244-600-2,21829-52-7,"Carbonic acid, compound with 2-aminoethanol (1:2)",carbonic acid - 2-aminoethanol (1:2),NCCO.NCCO.OC(=O)O,NCCO.NCCO.OC(=O)O,"InChI=1/2C2H7NO.CH2O3/c2*3-1-2-4;2-1(3)4/h2*4H,1-3H2;(H2,2,3,4)",C2H7NO.1/2CH2O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5856,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.531,KCNRUFVEYNBDQY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.535,244-604-4,21835-00-7,"2-hydroxy-3,4-dimethylcyclopent-2-en-1-one","2-hydroxy-3,4-dimethylcyclopent-2-en-1-one",CC1CC(=O)C(=C1C)O,CC1CC(=O)C(=C1C)O,"InChI=1/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4,9H,3H2,1-2H3",C7H10O2,,,,,,GXUQPCUHTNAVRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.538,244-608-6,21835-55-2,Uronium toluene-p-sulphonate,amino(hydroxy)methaniminium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].NC(=[NH2+])O,Cc1ccc(cc1)S(=O)(=O)[O-].NC(=[NH2+])O,"InChI=1/C7H8O3S.CH4N2O/c1-6-2-4-7(5-3-6)11(8,9)10;2-1(3)4/h2-5H,1H3,(H,8,9,10);(H4,2,3,4)",C7H8O3S.CH4N2O,,,,,,ZKZAMHIUFAHSIB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.466,246-728-4,25188-53-8,"7-anilino-3-[[4-[(2,4-dimethyl-6-sulphophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonic acid","7-anilino-3-({4-[(2,4-dimethyl-6-sulfophenyl)diazenyl]-2-methoxy-5-methylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid",COc5cc(N=Nc1c(cc(C)cc1C)S(O)(=O)=O)c(C)cc5N=Nc4c(cc3cc(Nc2ccccc2)ccc3c4O)S(O)(=O)=O,COc5cc(N=Nc1c(cc(C)cc1C)S(O)(=O)=O)c(C)cc5N=Nc4c(cc3cc(Nc2ccccc2)ccc3c4O)S(O)(=O)=O,"InChI=1/C32H29N5O8S2/c1-18-12-20(3)30(28(13-18)46(39,40)41)36-34-25-17-27(45-4)26(14-19(25)2)35-37-31-29(47(42,43)44)16-21-15-23(10-11-24(21)32(31)38)33-22-8-6-5-7-9-22/h5-17,33,38H,1-4H3,(H,39,40,41)(H,42,43,44)",C32H29N5O8S2,,,,,,XRCOXKGRXOPBFA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.478,246-742-0,25231-47-4,Di-tert-pentylphenol,"2,3-bis(1,1-dimethylpropyl)phenol",CCC(C)(C)c1cccc(O)c1C(C)(C)CC,CCC(C)(C)c1cccc(O)c1C(C)(C)CC,"InChI=1/C16H26O/c1-7-15(3,4)12-10-9-11-13(17)14(12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3",C16H26O,,,,,,BRIRGRNYHFFFHD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.485,246-749-9,25238-98-6,Potassium dibutyl phosphate,potassium dibutyl phosphate,[K+].CCCCOP(=O)([O-])OCCCC,[K+].CCCCOP(=O)([O-])OCCCC,"InChI=1/C8H19O4P.K/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1",C8H19O4P.K,,,,,,DAIJJJOANAXVGC-UHFFFAOYSA-M,,,,,,,,,,,
100.018.387,220-226-5,2676-59-7,"4,4'-oxybis(benzene-1,2-diamine)","4,4'-oxydibenzene-1,2-diamine",Nc1ccc(Oc2ccc(N)c(N)c2)cc1N,Nc1ccc(Oc2ccc(N)c(N)c2)cc1N,"InChI=1/C12H14N4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H,13-16H2",C12H14N4O,,,,,,RQBIGPMJQUKYAH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.390,220-229-1,2678-41-3,Barium diphenolate,barium bisphenolate,[Ba+2].[O-]c1ccccc1.[O-]c2ccccc2,[Ba+2].[O-]c1ccccc1.[O-]c2ccccc2,"InChI=1/2C6H6O.Ba/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2",C6H6O.1/2Ba,,,,,,HMOHOVASWYMMHA-UHFFFAOYSA-L,,,,,,,,,,,
100.018.391,220-230-7,2678-71-9,"16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(hydrogen sulphate)","16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(hydrogen sulfate)",COc1cc2c3ccccc3c(OS(=O)(=O)O)c4ccc5c6ccc7c(OS(=O)(=O)O)c8ccccc8c9cc(OC)c(c1c5c24)c6c79,COc1cc2c3ccccc3c(OS(=O)(=O)O)c4ccc5c6ccc7c(OS(=O)(=O)O)c8ccccc8c9cc(OC)c(c1c5c24)c6c79,"InChI=1/C36H22O10S2/c1-43-27-15-25-17-7-3-5-9-21(17)35(45-47(37,38)39)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)46-48(40,41)42)16-28(44-2)34(32(20)30)33(27)31(19)29(23)25/h3-16H,1-2H3,(H,37,38,39)(H,40,41,42)",C36H22O10S2,,,,,,KCMFSDZVTDTUCH-UHFFFAOYSA-N,,,,,,,,,,,
100.018.402,220-242-2,2683-56-9,4-(diethylamino)butan-1-ol,4-(diethylamino)butan-1-ol,CCN(CC)CCCCO,CCN(CC)CCCCO,"InChI=1/C8H19NO/c1-3-9(4-2)7-5-6-8-10/h10H,3-8H2,1-2H3",C8H19NO,,,,,,KHYKXDSWXWVQTA-UHFFFAOYSA-N,,,,,,,,,,,
100.018.408,220-249-0,2687-43-6,O-benzylhydroxylamine hydrochloride,[(aminooxy)methyl]benzene hydrochloride,Cl.NOCc1ccccc1,Cl.NOCc1ccccc1,"InChI=1/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H",C7H9NO.ClH,,,,,,HYDZPXNVHXJHBG-UHFFFAOYSA-N,,,,,,,,,,,
100.018.414,220-255-3,2689-63-6,(1-methyl-2-oxo-2-phenylethyl)triphenylphosphonium bromide,(1-methyl-2-oxo-2-phenylethyl)(triphenyl)phosphonium bromide,[Br-].CC(C(=O)c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].CC(C(=O)c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C27H24OP.BrH/c1-22(27(28)23-14-6-2-7-15-23)29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h2-22H,1H3;1H/q+1;/p-1",C27H24OP.Br,,,,,,PSYONAVRWJIHHC-UHFFFAOYSA-M,,,,,,,,,,,
100.018.415,220-256-9,2689-68-1,Methyl tetrahydro-4-oxo-3-thenoate,methyl 4-oxotetrahydrothiophene-3-carboxylate,COC(=O)C1CSCC1=O,COC(=O)C1CSCC1=O,"InChI=1/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3",C6H8O3S,,,,,,LEAKUJFYXNILRB-UHFFFAOYSA-N,,,,,,,,,,,
100.018.416,220-257-4,2689-69-2,Methyl tetrahydro-3-oxo-2-thenoate,methyl 3-oxotetrahydrothiophene-2-carboxylate,COC(=O)C1SCCC1=O,COC(=O)C1SCCC1=O,"InChI=1/C6H8O3S/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3",C6H8O3S,,,,,,TUSSXVYKOOVOID-UHFFFAOYSA-N,,,,,,,,,,,
100.021.616,223-776-4,4068-76-2,Methyl 5-bromosalicylate,methyl 5-bromo-2-hydroxybenzoate,COC(=O)c1cc(Br)ccc1O,COC(=O)c1cc(Br)ccc1O,"InChI=1/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3",C8H7BrO3,,,,,,FJYDBKPPGRZSOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.617,223-778-5,4068-78-4,Methyl 5-chlorosalicylate,methyl 5-chloro-2-hydroxybenzoate,COC(=O)c1cc(Cl)ccc1O,COC(=O)c1cc(Cl)ccc1O,"InChI=1/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3",C8H7ClO3,,,,,,KJWHRMZKJXOWFC-UHFFFAOYSA-N,,,,,,,,,,,
100.021.624,223-785-3,4072-67-7,"1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromoethan-1-one]","1,1'-biphenyl-4,4'-diylbis(2-bromoethanone)",BrCC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)CBr,BrCC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)CBr,"InChI=1/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2",C16H12Br2O2,,,,,,RTSLQVZQORGDQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.381,219-118-0,2363-99-7,4-[[4-(diethylamino)phenyl]imino]naphthalen-1(4H)-one,4-{[4-(diethylamino)phenyl]imino}naphthalen-1(4H)-one,CCN(CC)c1ccc(cc1)N=C3\\C=C/C(=O)c2ccccc23,CCN(CC)c1ccc(cc1)N=C3\C=C/C(=O)c2ccccc23,"InChI=1/C20H20N2O/c1-3-22(4-2)16-11-9-15(10-12-16)21-19-13-14-20(23)18-8-6-5-7-17(18)19/h5-14H,3-4H2,1-2H3",C20H20N2O,,,,,,GFZAEDHEVXNEEA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.382,219-119-6,2365-13-1,Trimethyl[2-(1-oxopropoxy)ethyl]ammonium chloride,"N,N,N-trimethyl-2-(propionyloxy)ethanaminium chloride",[Cl-].CCC(=O)OCC[N+](C)(C)C,[Cl-].CCC(=O)OCC[N+](C)(C)C,"InChI=1/C8H18NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1",C8H18NO2.Cl,,,,,,ARHSIMKCFUIWHF-UHFFFAOYSA-M,,,,,,,,,,,
100.017.383,219-120-1,2365-43-7,1H-purine-6-carboxylic acid,1H-purine-6-carboxylic acid,OC(=O)c1[nH]cnc2ncnc12,OC(=O)c1[nH]cnc2ncnc12,"InChI=1/C6H4N4O2/c11-6(12)4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,11,12)(H,7,8,9,10)",C6H4N4O2,,,,,,CIEQXUBLKKQRIS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.391,219-129-0,2/12/2369,3-fluoro-5-nitroaniline,3-fluoro-5-nitroaniline,Nc1cc(F)cc(c1)[N+](=O)[O-],Nc1cc(F)cc(c1)[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2",C6H5FN2O2,,,,,,OPMFAZASMJCCOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.398,219-136-9,2370-64-1,"17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl laurate","17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl laurate",CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO,"InChI=1/C24H48O8/c1-2-3-4-5-6-7-8-9-10-11-24(26)32-23-22-31-21-20-30-19-18-29-17-16-28-15-14-27-13-12-25/h25H,2-23H2,1H3",C24H48O8,,,,,,IDTQVQPVUYLMJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.126,248-554-4,27593-69-7,Isopropyl nonadecan-1-oate,isopropyl nonadecanoate,CCCCCCCCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21(2)3/h21H,4-20H2,1-3H3",C22H44O2,,,,,,ACGVGZXQYDMQFI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.129,248-558-6,27602-75-1,6-methoxy-a-methylnaphthalen-1-acetaldehyde,2-(6-methoxy-1-naphthyl)propanal,COc1ccc2c(cccc2c1)C(C)C=O,COc1ccc2c(cccc2c1)C(C)C=O,"InChI=1/C14H14O2/c1-10(9-15)13-5-3-4-11-8-12(16-2)6-7-14(11)13/h3-10H,1-2H3",C14H14O2,,,,,,PCFIDGCMVMTREH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.131,248-560-7,27605-35-2,1-(tributylstannyl)-1H-imidazole,1-(tributylstannyl)-1H-imidazole,CCCC[Sn](CCCC)(CCCC)n1ccnc1,CCCC[Sn](CCCC)(CCCC)n1ccnc1,"InChI=1/3C4H9.C3H3N2.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1-3H;/q;;;-1;+1/rC15H30N2Sn/c1-4-7-12-18(13-8-5-2,14-9-6-3)17-11-10-16-15-17/h10-11,15H,4-9,12-14H2,1-3H3",C15H30N2Sn,,,,,,GNABDJMISKSNIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.959,250-571-7,31324-44-4,Phenoxytoluene,1-methyl-2-phenoxybenzene,Cc1ccccc1Oc2ccccc2,Cc1ccccc1Oc2ccccc2,"InChI=1/C13H12O/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10H,1H3",C13H12O,,,,,,WCOYPFBMFKXWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.963,250-575-9,31335-74-7,"2,2-dimethyl-1,3-propanediyl dioctanoate","2,2-dimethylpropane-1,3-diyl dioctanoate",CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC,CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC,"InChI=1/C21H40O4/c1-5-7-9-11-13-15-19(22)24-17-21(3,4)18-25-20(23)16-14-12-10-8-6-2/h5-18H2,1-4H3",C21H40O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12654,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.963,WFXHUBZUIFLWCV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.968,250-581-1,31352-31-5,Sodium dimethyl 5-(3-sulphonatopropoxy)phthalate,"sodium 3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate",[Na+].COC(=O)c1ccc(OCCCS(=O)(=O)[O-])cc1C(=O)OC,[Na+].COC(=O)c1ccc(OCCCS(=O)(=O)[O-])cc1C(=O)OC,"InChI=1/C13H16O8S.Na/c1-19-12(14)10-5-4-9(8-11(10)13(15)20-2)21-6-3-7-22(16,17)18;/h4-5,8H,3,6-7H2,1-2H3,(H,16,17,18);/q;+1/p-1",C13H16O8S.Na,,,,,,BTROXHCAUPKOCZ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.970,250-583-2,31353-92-1,"4,4'-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic] acid","4,4'-[methylenebis(4,1-phenyleneimino)]bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid)",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cc5ccc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)O)cc5)cc4)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cc5ccc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)O)cc5)cc4)cc1S(=O)(=O)O,"InChI=1/C41H28N4O10S2/c42-36-30(56(50,51)52)18-28(32-34(36)40(48)26-7-3-1-5-24(26)38(32)46)44-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)45-29-19-31(57(53,54)55)37(43)35-33(29)39(47)25-6-2-4-8-27(25)41(35)49/h1-16,18-19,44-45H,17,42-43H2,(H,50,51,52)(H,53,54,55)",C41H28N4O10S2,,,,,,FXFJDZPYMDXPPM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.972,250-585-3,31354-67-3,7-[(2-cyanoethyl)ethylamino]-3-(ethylmethylamino)-2-methylphenoxazin-5-ium tetrachlorozincate (2:1),bis{7-[(2-cyanoethyl)(ethyl)amino]-3-[ethyl(methyl)amino]-2-methylphenoxazin-5-ium} tetrachlorozincate(2-),CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N.CCN(C)c4cc5[o+]c6cc(ccc6nc5cc4C)N(CC)CCC#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N.CCN(C)c4cc5[o+]c6cc(ccc6nc5cc4C)N(CC)CCC#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C21H25N4O.4ClH.Zn/c2*1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;;;;;/h2*8-9,12-14H,5-7,11H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C21H25N4O.Cl4Zn/c2*1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;1-5(2,3)4/h2*8-9,12-14H,5-7,11H2,1-4H3;/q2*+1;-2",C21H25N4O.1/2Cl4Zn,,,,,,VQTKNKXHMHKKTB-UHFFFAOYSA-J,,,,,,,,,,,
100.045.973,250-586-9,31356-29-3,"(±)-2-[(2,4-dinitrophenyl)amino]butyric acid","2-[(2,4-dinitrophenyl)amino]butanoic acid",CCC(Nc1ccc(cc1N(=O)=O)N(=O)=O)C(=O)O,CCC(Nc1ccc(cc1N(=O)=O)N(=O)=O)C(=O)O,"InChI=1/C10H11N3O6/c1-2-7(10(14)15)11-8-4-3-6(12(16)17)5-9(8)13(18)19/h3-5,7,11H,2H2,1H3,(H,14,15)",C10H11N3O6,,,,,,MPWLEWUMPDWNFL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.976,250-590-0,31363-68-5,"5,6-dimethoxy-1H-indole-3-ethylamine","2-(5,6-dimethoxy-1H-indol-3-yl)ethanamine",COc1cc2[nH]cc(CCN)c2cc1OC,COc1cc2[nH]cc(CCN)c2cc1OC,"InChI=1/C12H16N2O2/c1-15-11-5-9-8(3-4-13)7-14-10(9)6-12(11)16-2/h5-7,14H,3-4,13H2,1-2H3",C12H16N2O2,,,,,,RUBWDHXESZEALO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.982,250-596-3,31373-19-0,"[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis(iminoethylene)]bis(benzenesulphonamide)","N',N''-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diethane-2,1-diyl]dibenzenesulfonohydrazide",O=C1c2ccccc2C(=O)c3c(CCNNS(=O)(=O)c4ccccc4)ccc(CCNNS(=O)(=O)c5ccccc5)c13,O=C1c2ccccc2C(=O)c3c(CCNNS(=O)(=O)c4ccccc4)ccc(CCNNS(=O)(=O)c5ccccc5)c13,"InChI=1/C30H28N4O6S2/c35-29-25-13-7-8-14-26(25)30(36)28-22(18-20-32-34-42(39,40)24-11-5-2-6-12-24)16-15-21(27(28)29)17-19-31-33-41(37,38)23-9-3-1-4-10-23/h1-16,31-34H,17-20H2",C30H28N4O6S2,,,,,,GEPLEFMNUIZXES-UHFFFAOYSA-N,,,,,,,,,,,
100.045.984,250-598-4,31375-11-8,"N-methyl-N-(1,1,2,2-tetrafluoroethyl)benzenesulphonamide","N-methyl-N-(1,1,2,2-tetrafluoroethyl)benzenesulfonamide",CN(C(F)(F)C(F)F)S(=O)(=O)c1ccccc1,CN(C(F)(F)C(F)F)S(=O)(=O)c1ccccc1,"InChI=1/C9H9F4NO2S/c1-14(9(12,13)8(10)11)17(15,16)7-5-3-2-4-6-7/h2-6,8H,1H3",C9H9F4NO2S,,,,,,AGLGUWZOXRWJKP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.512,247-879-9,26652-09-5,Ritodrine,4-(1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl)phenol,C[C@H](NCCc1ccc(O)cc1)[C@H](O)c2ccc(O)cc2,C[C@H](NCCc1ccc(O)cc1)[C@H](O)c2ccc(O)cc2,"InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3",C17H21NO3,,,,,,IOVGROKTTNBUGK-SJCJKPOMSA-N,,,,,,,,,,,
100.043.517,247-885-1,26657-75-0,Sulphophthalic acid,3-sulfophthalic acid,OC(=O)c1cccc(c1C(=O)O)S(=O)(=O)O,OC(=O)c1cccc(c1C(=O)O)S(=O)(=O)O,"InChI=1/C8H6O7S/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)",C8H6O7S,,,,,,SDGNNLQZAPXALR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.518,247-886-7,26657-95-4,Glycerol dipalmitate,"3-hydroxypropane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",C35H68O5,,,,,,JEJLGIQLPYYGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.520,247-888-8,26657-97-6,D-glucitol monolaurate,1-O-dodecanoyl-D-glucitol,CCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C18H36O7/c1-2-3-4-5-6-7-8-9-10-11-16(22)25-13-15(21)18(24)17(23)14(20)12-19/h14-15,17-21,23-24H,2-13H2,1H3",C18H36O7,,,,,,HYZDYRHKPFPODK-CYGHRXIMSA-N,,,,,,,,,,,
100.043.522,247-890-9,26658-09-3,Dioctyl dihydrogen diphosphate,dioctyl dihydrogen diphosphate,CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCC,CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCC,"InChI=1/C16H36O7P2/c1-3-5-7-9-11-13-15-21-24(17,18)23-25(19,20)22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)(H,19,20)",C16H36O7P2,,,,,,UMHKOAYRTRADAT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.523,247-891-4,26658-19-5,Sorbitan tristearate,"1,3,6-tri-O-stearoylhexitol",CCCCCCCCCCCCCCCCCC(=O)OCC(O)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C(O)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(O)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-52-54(61)59(66)60(69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(62)53-68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-62,66H,4-53H2,1-3H3",C60H114O8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5384,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.523,OIPULUQKRXSPPS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.525,247-894-0,26662-94-2,(R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl oleate,2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl octadec-9-enoate,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)",C39H76NO8P,,,,,,FHQVHHIBKUMWTI-OTMQOFQLSA-N,,,,,,,,,,,
100.043.527,247-896-1,26672-24-2,"2-[(4-amino-2,5-dimethoxyphenyl)sulphonyl]ethyl hydrogen sulphate","2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]ethyl hydrogen sulfate",COc1cc(c(OC)cc1N)S(=O)(=O)CCOS(=O)(=O)O,COc1cc(c(OC)cc1N)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C10H15NO8S2/c1-17-8-6-10(9(18-2)5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)",C10H15NO8S2,,,,,,YTIYUMNTOZTPCC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.977,249-491-5,29181-23-5,(S)-[3-[2-(allyloxy)phenoxy]-2-hydroxypropyl]isopropylammonium chloride,3-[2-(allyloxy)phenoxy]-2-hydroxy-N-isopropylpropan-1-aminium chloride,[Cl-].CC(C)[NH2+]C[C@H](O)COc1ccccc1OCC=C,[Cl-].CC(C)[NH2+]C[C@H](O)COc1ccccc1OCC=C,"InChI=1/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H",C15H23NO3.ClH,,,,,,COAJXCLTPGGDAJ-ZOWNYOTGSA-N,,,,,,,,,,,
100.044.983,249-497-8,29194-31-8,Methacrylamide sulphate,2-methylacrylamide sulfate,CC(=C)C(=O)N.OS(=O)(=O)O,CC(=C)C(=O)N.OS(=O)(=O)O,"InChI=1/C4H7NO.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H2,5,6);(H2,1,2,3,4)",C4H7NO.xH2O4S,,,,,,NTQWADDNQQUGRH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.986,249-500-2,29195-01-5,"N,N'-dimethyl-N-phenylhydrazine","1,2-dimethyl-1-phenylhydrazine",CNN(C)c1ccccc1,CNN(C)c1ccccc1,"InChI=1/C8H12N2/c1-9-10(2)8-6-4-3-5-7-8/h3-7,9H,1-2H3",C8H12N2,,,,,,FTHKWZHJHBZURR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.990,249-504-4,29205-06-9,"6a-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate","6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3",C27H37FO5,,,,,,XZBJVIQXJHGUBE-HZMVJJPJSA-N,,,,,,,,,,,
100.044.993,249-508-6,29209-29-8,"Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide","methyl 4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide",COC(=O)C1NS(=O)(=O)c2ccccc2C1=O,COC(=O)C1NS(=O)(=O)c2ccccc2C1=O,"InChI=1/C10H9NO5S/c1-16-10(13)8-9(12)6-4-2-3-5-7(6)17(14,15)11-8/h2-5,8,11H,1H3",C10H9NO5S,,,,,,HJAKVQDJSUIRPK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.492,246-757-2,25251-40-5,Trisodium 4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-6-[(3-sulphonatophenyl)amino]naphthalene-2-sulphonate,trisodium 4-hydroxy-3-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-6-[(3-sulfonatophenyl)amino]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].COc4cc(c(C)cc4N=Nc3c(cc2ccc(Nc1cccc(c1)S([O-])(=O)=O)cc2c3O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].[Na+].COc4cc(c(C)cc4N=Nc3c(cc2ccc(Nc1cccc(c1)S([O-])(=O)=O)cc2c3O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C26H25N3O14S4.3Na/c1-15-10-21(22(42-2)14-23(15)44(31,32)9-8-43-47(39,40)41)28-29-25-24(46(36,37)38)11-16-6-7-18(13-20(16)26(25)30)27-17-4-3-5-19(12-17)45(33,34)35;;;/h3-7,10-14,27,30H,8-9H2,1-2H3,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3",C26H25N3O14S4.3Na,,,,,,RZQIESOJYPKMNZ-UHFFFAOYSA-K,,,,,,,,,,,
100.042.496,246-761-4,25252-92-0,"N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-7-methoxynaphthalene-2-carboxamide","N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-7-methoxy-2-naphthamide",COc1ccc2cc(O)c(cc2c1)C(=O)Nc3cc(OC)c(Cl)cc3OC,COc1ccc2cc(O)c(cc2c1)C(=O)Nc3cc(OC)c(Cl)cc3OC,"InChI=1/C20H18ClNO5/c1-25-13-5-4-11-8-17(23)14(7-12(11)6-13)20(24)22-16-10-18(26-2)15(21)9-19(16)27-3/h4-10,23H,1-3H3,(H,22,24)",C20H18ClNO5,,,,,,XIMFIRVKPMICRK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.498,246-764-0,25254-50-6,"a,a',a''-trimethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-triethanol","1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-2-ol",CC(O)CN1CN(CC(C)O)CN(CC(C)O)C1,CC(O)CN1CN(CC(C)O)CN(CC(C)O)C1,"InChI=1/C12H27N3O3/c1-10(16)4-13-7-14(5-11(2)17)9-15(8-13)6-12(3)18/h10-12,16-18H,4-9H2,1-3H3",C12H27N3O3,,,,,,QUGSRMKLRLHUHU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.127,248-556-5,27599-04-8,Bis(a-chlorotolyl) ether,"1,1'-[oxybis(methylene)]bis(4-chlorobenzene)",Clc1ccc(COCc2ccc(Cl)cc2)cc1,Clc1ccc(COCc2ccc(Cl)cc2)cc1,"InChI=1/C14H12Cl2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2",C14H12Cl2O,,,,,,REXQTRHCVRPOMB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.128,248-557-0,27601-29-2,"tert-butyl (S)-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-[[4-(benzyloxy)phenyl]methyl]ethyl]carbamate","2,5-dioxopyrrolidin-1-yl O-benzyl-N-(tert-butoxycarbonyl)-L-tyrosinate",CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)ON3C(=O)CCC3=O,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)ON3C(=O)CCC3=O,"InChI=1/C25H28N2O7/c1-25(2,3)33-24(31)26-20(23(30)34-27-21(28)13-14-22(27)29)15-17-9-11-19(12-10-17)32-16-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3,(H,26,31)",C25H28N2O7,,,,,,GKLFTQJJYUFASW-FQEVSTJZSA-N,,,,,,,,,,,
100.045.961,250-573-8,31333-13-8,Non-3-yn-1-ol,non-3-yn-1-ol,CCCCCC#CCCO,CCCCCC#CCCO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3",C9H16O,,,,,,TZZVRLFUTNYDEG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.965,250-578-5,31351-12-9,"(3aa,4a,7a,7aa)-octahydro-4,7-methano-5H-inden-5-one","octahydro-5H-4,7-methanoinden-5-one",O=C1C[C@H]2C[C@@H]1[C@H]3CCC[C@@H]23,O=C1C[C@H]2C[C@@H]1[C@H]3CCC[C@@H]23,"InChI=1/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2",C10H14O,,,,,,OMIDXVJKZCPKEI-RYPBNFRJSA-N,,,,,,,,,,,
100.045.967,250-580-6,31352-16-6,6-bromo-1-(2-cyanoethyl)-2-[4-(diethylamino)phenyl]benz[cd]indolium chloride,6-bromo-1-(2-cyanoethyl)-2-[4-(diethylamino)phenyl]benzo[cd]indolium chloride,[Cl-].CCN(CC)c1ccc(cc1)C2=[N+](CCC#N)c3ccc(Br)c4cccc2c34,[Cl-].CCN(CC)c1ccc(cc1)C2=[N+](CCC#N)c3ccc(Br)c4cccc2c34,"InChI=1/C24H23BrN3.ClH/c1-3-27(4-2)18-11-9-17(10-12-18)24-20-8-5-7-19-21(25)13-14-22(23(19)20)28(24)16-6-15-26;/h5,7-14H,3-4,6,16H2,1-2H3;1H/q+1;/p-1",C24H23BrN3.Cl,,,,,,SLLKGCJHIUTJGJ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.969,250-582-7,31352-39-3,Disodium dodecanedioate,disodium dodecanedioate,[Na+].[Na+].[O-]C(=O)CCCCCCCCCCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CCCCCCCCCCC(=O)[O-],"InChI=1/C12H22O4.2Na/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;/h1-10H2,(H,13,14)(H,15,16);;/q;2*+1/p-2",C12H22O4.2Na,,,,,,TWEMKOBYVAMCDD-UHFFFAOYSA-L,,,,,,,,,,,
100.045.978,250-592-1,31364-42-8,"4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane","4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane",C1COCCN2CCOCCOCCN(CCO1)CCOCC2,C1COCCN2CCOCCOCCN(CCO1)CCOCC2,InChI=1/C16H32N2O5/c1-7-19-8-2-18-5-11-22-15-13-20-9-3-17(1)4-10-21-14-16-23-12-6-18/h1-16H2,C16H32N2O5,,,,,,HDLXPNDSLDLJHF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.979,250-593-7,31366-25-3,"d-2:2'-bis(1,3-dithiazole)","2,2'-bi-1,3-dithiole",S1C=CSC1=C2SC=CS2,S1C=CSC1=C2SC=CS2,InChI=1/C6H4S4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,C6H4S4,,,,,,FHCPAXDKURNIOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.980,250-594-2,31366-39-9,4-amino-4'-nitrobenzanilide,4-amino-N-(4-nitrophenyl)benzamide,Nc1ccc(cc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],Nc1ccc(cc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H11N3O3/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(8-6-11)16(18)19/h1-8H,14H2,(H,15,17)",C13H11N3O3,,,,,,YCYKUNZVKNJOPW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.990,250-606-6,31383-81-0,"Dimethyl 5,5'-methylenedianthranilate","dimethyl 3,3'-methylenebis(6-aminobenzoate)",COC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC)ccc1N,COC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC)ccc1N,"InChI=1/C17H18N2O4/c1-22-16(20)12-8-10(3-5-14(12)18)7-11-4-6-15(19)13(9-11)17(21)23-2/h3-6,8-9H,7,18-19H2,1-2H3",C17H18N2O4,,,,,,XEZPSTVEIZNGRR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.400,219-139-5,4/06/2371,"1-chloro-2,2,4-trimethylpentane","1-chloro-2,2,4-trimethylpentane",CC(C)CC(C)(C)CCl,CC(C)CC(C)(C)CCl,"InChI=1/C8H17Cl/c1-7(2)5-8(3,4)6-9/h7H,5-6H2,1-4H3",C8H17Cl,,,,,,JZGIEKAGVWKJMH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.403,219-142-1,2371-19-9,3-methylheptan-2-one,3-methylheptan-2-one,CCCCC(C)C(=O)C,CCCCC(C)C(=O)C,"InChI=1/C8H16O/c1-4-5-6-7(2)8(3)9/h7H,4-6H2,1-3H3",C8H16O,,,,,,UHRZLJZZZDOHEX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.404,219-143-7,2372-21-6,"O,O-tert-butyl isopropyl monoperoxycarbonate",2-[(isopropoxycarbonyl)peroxy]-2-methylpropane,CC(C)OC(=O)OOC(C)(C)C,CC(C)OC(=O)OOC(C)(C)C,"InChI=1/C8H16O4/c1-6(2)10-7(9)11-12-8(3,4)5/h6H,1-5H3",C8H16O4,,,,,,KDGNCLDCOVTOCS-UHFFFAOYSA-N,,,,,,,,,,,
100.017.405,219-144-2,2372-45-4,Sodium butanolate,sodium butan-1-olate,[Na+].CCCC[O-],[Na+].CCCC[O-],"InChI=1/C4H9O.Na/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1",C4H10O.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12440,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.405,SYXYWTXQFUUWLP-UHFFFAOYSA-N,,,,,,,,,,,
100.017.406,219-145-8,2372-82-9,"N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine","N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine",CCCCCCCCCCCCN(CCCN)CCCN,CCCCCCCCCCCCN(CCCN)CCCN,"InChI=1/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3",C18H41N3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5949,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.406,NYNKJVPRTLBJNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.414,223-554-7,3958-03-0,Tetrabromothiophene,tetrabromothiophene,Brc1sc(Br)c(Br)c1Br,Brc1sc(Br)c(Br)c1Br,InChI=1/C4Br4S/c5-1-2(6)4(8)9-3(1)7,C4Br4S,,,,,,AVPWUAFYDNQGNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.418,223-558-9,3958-60-9,a-bromo-2-nitrotoluene,1-(bromomethyl)-2-nitrobenzene,[O-][N+](=O)c1ccccc1CBr,[O-][N+](=O)c1ccccc1CBr,"InChI=1/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2",C7H6BrNO2,,,,,,HXBMIQJOSHZCFX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.419,223-559-4,7/07/3959,4-bromobenzylamine,1-(4-bromophenyl)methanamine,NCc1ccc(Br)cc1,NCc1ccc(Br)cc1,"InChI=1/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2",C7H8BrN,,,,,,XRNVSPDQTPVECU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.420,223-561-5,4/12/3959,Methylvinylsilanediol,methyl(vinyl)silanediol,C[Si](O)(O)C=C,C[Si](O)(O)C=C,"InChI=1/C3H8O2Si/c1-3-6(2,4)5/h3-5H,1H2,2H3",C3H8O2Si,,,,,,JMTARFYECDNZGS-UHFFFAOYSA-N,,,,,,,,,,,
100.021.423,223-564-1,3962-66-1,"Oestr-5(10)-ene-3,17-dione","estr-5(10)-ene-3,17-dione",C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CCC2=O,"InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3",C18H24O2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18519,https://echa.europa.eu/substance-information/-/substanceinfo/100.021.423,RORYLAUXKSWMQL-CBZIJGRNSA-N,,,,,,,,,,,
100.021.425,223-566-2,3963-80-2,"Disodium 4-amino-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.2Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",C10H9NO7S2.2Na,,,,,,PHIMTKWJUXQMMA-UHFFFAOYSA-L,,,,,,,,,,,
100.021.427,223-568-3,3963-95-9,Metacycline hydrochloride,"4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride",Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N,"InChI=1/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);1H",C22H22N2O8.ClH,,,,,,VZQARNDJLLWXGL-CCHMMTNSSA-N,,,,,,,,,,,
100.021.429,223-570-4,3964-54-3,N-(3-chloro-4-hydroxyphenyl)acetamide,N-(3-chloro-4-hydroxyphenyl)acetamide,CC(=O)Nc1ccc(O)c(Cl)c1,CC(=O)Nc1ccc(O)c(Cl)c1,"InChI=1/C8H8ClNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,1H3,(H,10,11)",C8H8ClNO2,,,,,,JULKJDRBSRRBHT-UHFFFAOYSA-N,,,,,,,,,,,
100.021.430,223-572-5,3964-56-5,4-bromo-2-chlorophenol,4-bromo-2-chlorophenol,Oc1ccc(Br)cc1Cl,Oc1ccc(Br)cc1Cl,"InChI=1/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",C6H4BrClO,,,,,,VIBJPUXLAKVICD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.445,223-588-2,3969-54-8,p-tolylarsonic acid,(4-methylphenyl)arsonic acid,Cc1ccc(cc1)[As](=O)(O)O,Cc1ccc(cc1)[As](=O)(O)O,"InChI=1/C7H9AsO3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3,(H2,9,10,11)",C7H9AsO3,,,,,,GODGOGGXLHQPBK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.449,223-592-4,3970-62-5,"2,2-dimethylpentan-3-ol","2,2-dimethylpentan-3-ol",CCC(O)C(C)(C)C,CCC(O)C(C)(C)C,"InChI=1/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3",C7H16O,,,,,,HMSVXZJWPVIVIV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.453,223-597-1,3972-25-6,2-methylpropan-2-[2H]ol,2-methylpropan-2-ol,CC(C)(C)O,CC(C)(C)O,"InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3",C4H9DO,,,,,,DKGAVHZHDRPRBM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.833,220-715-3,2874-75-1,2-ethyldodecanoic acid,2-ethyldodecanoic acid,CCCCCCCCCCC(CC)C(=O)O,CCCCCCCCCCC(CC)C(=O)O,"InChI=1/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16/h13H,3-12H2,1-2H3,(H,15,16)",C14H28O2,,,,,,SDKATVAEMVYSAB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.987,250-602-4,31377-05-6,Calcium bis(5-oxo-L-prolinate),calcium bis(5-oxopyrrolidine-2-carboxylate),[Ca+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[Ca+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.Ca/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2",C5H7NO3.1/2Ca,,,,,,YQFZERWESBDNRJ-QHTZZOMLSA-L,,,,,,,,,,,
100.045.991,250-607-1,31385-10-1,"2,2-dichloro-N-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)acetamide","2,2-dichloro-N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide",ClC(Cl)C(=O)NC1=CNC(=O)NC1=O,ClC(Cl)C(=O)NC1=CNC(=O)NC1=O,"InChI=1/C6H5Cl2N3O3/c7-3(8)5(13)10-2-1-9-6(14)11-4(2)12/h1,3H,(H,10,13)(H2,9,11,12,14)",C6H5Cl2N3O3,,,,,,MQLBSYBWVCZQDB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.997,250-613-4,31399-83-4,"3-(2-chloro-4-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one","5-tert-butyl-3-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2(3H)-one",CC(C)(C)C1=NN(C(=O)O1)c2ccc(cc2Cl)[N+](=O)[O-],CC(C)(C)C1=NN(C(=O)O1)c2ccc(cc2Cl)[N+](=O)[O-],"InChI=1/C12H12ClN3O4/c1-12(2,3)10-14-15(11(17)20-10)9-5-4-7(16(18)19)6-8(9)13/h4-6H,1-3H3",C12H12ClN3O4,,,,,,ZVCSOYNAOLZQED-UHFFFAOYSA-N,,,,,,,,,,,
100.045.999,250-616-0,31404-59-8,"2-acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide","2-acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide",CC(=O)N1CCc2ccc(cc2C1)S(=O)(=O)N,CC(=O)N1CCc2ccc(cc2C1)S(=O)(=O)N,"InChI=1/C11H14N2O3S/c1-8(14)13-5-4-9-2-3-11(17(12,15)16)6-10(9)7-13/h2-3,6H,4-5,7H2,1H3,(H2,12,15,16)",C11H14N2O3S,,,,,,XYVQFXSDLNCVQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.876,244-981-5,22418-66-2,"3,7-dimethyl-2-methyleneocta-6-enal","3,7-dimethyl-2-methyleneoct-6-enal",CC(CCC=C(C)C)C(=C)C=O,CC(CCC=C(C)C)C(=C)C=O,"InChI=1/C11H18O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,8,10H,4-5,7H2,1-3H3",C11H18O,,,,,,FAGYGFPZNTYLAO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.807,248-204-0,27066-98-4,"5-ethyl-5-phenylbarbituric acid, compound with 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol (1:1)","5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione - 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol (1:1)",CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC(C)NCC(O)COc3cccc4ccccc34,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC(C)NCC(O)COc3cccc4ccccc34,"InChI=1/C16H21NO2.C12H12N2O3/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-9,12,14,17-18H,10-11H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)",C16H21NO2.C12H12N2O3,,,,,,TXMSMBUTLMUCIE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.809,248-206-1,27070-59-3,Cyclododecatriene,"cyclododeca-1,3,5-triene",C1CCCC=C\\C=C/C=C/CC1,C1CCCC=C\C=C/C=C/CC1,"InChI=1/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6H,7-12H2",C12H18,,,,,,XRLIZCVYAYNXIF-VXVLPCOQSA-N,,,,,,,,,,,
100.043.813,248-210-3,27076-17-1,"10-methoxy-13-methyl-7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinolinium methyl sulphate","10-methoxy-13-methyl-7-oxo-7,13-dihydro[3,1]benzimidazo[2,1-a]benzo[de]isoquinolin-8-ium methyl sulfate",COc1ccc2c(c1)[n+]3C(=O)c4cccc5cccc(c3n2C)c45.COS(=O)(=O)[O-],COc1ccc2c(c1)[n+]3C(=O)c4cccc5cccc(c3n2C)c45.COS(=O)(=O)[O-],"InChI=1/C20H15N2O2.CH4O4S/c1-21-16-10-9-13(24-2)11-17(16)22-19(21)14-7-3-5-12-6-4-8-15(18(12)14)20(22)23;1-5-6(2,3)4/h3-11H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C20H15N2O2.CH3O4S,,,,,,XYDWZVWBHQBNTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.043.814,248-211-9,27076-30-8,3-[(2-hydroxyethyl)amino]propionamide,N~3~-(2-hydroxyethyl)-beta-alaninamide,NC(=O)CCNCCO,NC(=O)CCNCCO,"InChI=1/C5H12N2O2/c6-5(9)1-2-7-3-4-8/h7-8H,1-4H2,(H2,6,9)",C5H12N2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6919,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.814,WRLAXUYIDLSRHV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.815,248-212-4,27080-90-6,Dixylyl disulphide,"2,4-dimethylphenyl 3,4-dimethylphenyl disulfide",Cc1ccc(SSc2ccc(C)c(C)c2)c(C)c1,Cc1ccc(SSc2ccc(C)c(C)c2)c(C)c1,"InChI=1/C16H18S2/c1-11-5-8-16(14(4)9-11)18-17-15-7-6-12(2)13(3)10-15/h5-10H,1-4H3",C16H18S2,,,,,,NTODTBOPMAMSQG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.820,248-218-7,27089-56-1,"(2,3,4,5-tetrahydro)-3-thioxo-2-(ß-D-ribofuranosyl)-1,2,4-triazin-5-one","2-pentofuranosyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one",OCC1OC(C(O)C1O)N2N=CC(=O)NC2=S,OCC1OC(C(O)C1O)N2N=CC(=O)NC2=S,"InChI=1/C8H11N3O5S/c12-2-3-5(14)6(15)7(16-3)11-8(17)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,17)",C8H11N3O5S,,,,,,TVCBDTCUOVDLNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.822,248-220-8,27094-65-1,Bis(2-methylbutyl)amine,2-methyl-N-(2-methylbutyl)butan-1-amine,CCC(C)CNCC(C)CC,CCC(C)CNCC(C)CC,"InChI=1/C10H23N/c1-5-9(3)7-11-8-10(4)6-2/h9-11H,5-8H2,1-4H3",C10H23N,,,,,,GNSBJLGFTFJIAC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.830,248-229-7,27115-04-4,"Sodium 1,4-diisopentyl sulphonatosuccinate","sodium 1,4-bis(3-methylbutoxy)-1,4-dioxobutane-2-sulfonate",[Na+].CC(C)CCOC(=O)CC(C(=O)OCCC(C)C)S(=O)(=O)[O-],[Na+].CC(C)CCOC(=O)CC(C(=O)OCCC(C)C)S(=O)(=O)[O-],"InChI=1/C14H26O7S.Na/c1-10(2)5-7-20-13(15)9-12(22(17,18)19)14(16)21-8-6-11(3)4;/h10-12H,5-9H2,1-4H3,(H,17,18,19);/q;+1/p-1",C14H26O7S.Na,,,,,,DRSITYLXPCHIMO-UHFFFAOYSA-M,,,,,,,,,,,
100.043.838,248-238-6,27122-63-0,[1-(allyloxy)ethyl]benzene,[1-(allyloxy)ethyl]benzene,CC(OCC=C)c1ccccc1,CC(OCC=C)c1ccccc1,"InChI=1/C11H14O/c1-3-9-12-10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3",C11H14O,,,,,,OVGISFQAOYZQIX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.840,248-240-7,27126-93-8,"3,5-bis(trifluoromethyl)benzonitrile","3,5-bis(trifluoromethyl)benzonitrile",FC(F)(F)c1cc(cc(c1)C(F)(F)F)C#N,FC(F)(F)c1cc(cc(c1)C(F)(F)F)C#N,"InChI=1/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H",C9H3F6N,,,,,,CZKHHAOIHXHOSR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.994,249-509-1,29209-30-1,"Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide","methyl 2-methyl-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide",COC(=O)C1N(C)S(=O)(=O)c2ccccc2C1=O,COC(=O)C1N(C)S(=O)(=O)c2ccccc2C1=O,"InChI=1/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,9H,1-2H3",C11H11NO5S,,,,,,GIQCXAYKJYPPFK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.250,244-291-4,21248-70-4,Manganese dilaurate,manganese(2+) didodecanoate,[Mn+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Mn+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Mn,,,,,,XWMVHBOTDSWDCL-UHFFFAOYSA-L,,,,,,,,,,,
100.040.253,244-295-6,21251-97-8,"3-(phenylmethyl)[1,1'-biphenyl]-4-ol",3-benzylbiphenyl-4-ol,Oc1ccc(cc1Cc2ccccc2)c3ccccc3,Oc1ccc(cc1Cc2ccccc2)c3ccccc3,"InChI=1/C19H16O/c20-19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-12,14,20H,13H2",C19H16O,,,,,,YZCWXIRNXBSTTB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.255,244-297-7,21259-20-1,"(3a,4ß,8a)-12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate)","4,15-diacetoxy-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate",CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@]34CO4)C=C1C,CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@]34CO4)C=C1C,"InChI=1/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3",C24H34O9,,,,,,BXFOFFBJRFZBQZ-QYWOHJEZSA-N,,,,,,,,,,,
100.040.256,244-298-2,21259-76-7,Mercaptomerin sodium,"disodium (3-{[(3-carboxylato-2,2,3-trimethylcyclopentyl)carbonyl]amino}-2-methoxypropyl)[(sulfanyl-kappaS)acetato(2-)]mercurate(2-)",[Na+].[Na+].COC(CNC(=O)C1CCC(C)(C(=O)[O-])C1(C)C)C[Hg]SCC(=O)[O-],[Na+].[Na+].COC(CNC(=O)C1CCC(C)(C(=O)[O-])C1(C)C)C[Hg]SCC(=O)[O-],"InChI=1/C14H24NO4.C2H4O2S.Hg.2Na/c1-9(19-5)8-15-11(16)10-6-7-14(4,12(17)18)13(10,2)3;3-2(4)1-5;;;/h9-10H,1,6-8H2,2-5H3,(H,15,16)(H,17,18);5H,1H2,(H,3,4);;;/q;;3*+1/p-3/rC16H27HgNO6S.2Na/c1-15(2)11(5-6-16(15,3)14(22)23)13(21)18-8-10(24-4)7-17-25-9-12(19)20;;/h10-11H,5-9H2,1-4H3,(H,18,21)(H,19,20)(H,22,23);;/q;2*+1/p-2",C16H25HgNO6S.2Na,,,,,,RQXWFEXQGWCOGQ-UHFFFAOYSA-K,,,,,,,,,,,
100.040.263,244-305-9,21269-11-4,"11ß,21-dihydroxy-2'-methyl-16ß-5'H-pregn-4-eno[17,16-d]oxazole-3,20-dione","6b-glycoloyl-5-hydroxy-4a,6a,8-trimethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one",CC1=NC2(C(CC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C)O1)C(=O)CO,CC1=NC2(C(CC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C)O1)C(=O)CO,"InChI=1/C23H31NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h8,15-17,19-20,25,27H,4-7,9-11H2,1-3H3",C23H31NO5,,,,,,FFCGTEHFZJEQAV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.264,244-306-4,21269-13-6,"21-hydroxy-2'-methyl-16ß-5'H-pregn-4-eno[17,16-d]oxazole-3,20-dione 21-acetate","2-oxo-2-(4a,6a,8-trimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethyl acetate",CC(=O)OCC(=O)C12N=C(C)OC1CC3C4CCC5=CC(=O)CCC5(C)C4CCC23C,CC(=O)OCC(=O)C12N=C(C)OC1CC3C4CCC5=CC(=O)CCC5(C)C4CCC23C,"InChI=1/C25H33NO5/c1-14-26-25(21(29)13-30-15(2)27)22(31-14)12-20-18-6-5-16-11-17(28)7-9-23(16,3)19(18)8-10-24(20,25)4/h11,18-20,22H,5-10,12-13H2,1-4H3",C25H33NO5,,,,,,VVMRUTPNARVFIR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.265,244-308-5,21272-85-5,[(nitromethyl)sulphonyl]benzene,[(nitromethyl)sulfonyl]benzene,[O-][N+](=O)CS(=O)(=O)c1ccccc1,[O-][N+](=O)CS(=O)(=O)c1ccccc1,"InChI=1/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2",C7H7NO4S,,,,,,ADKLJTCVZHUANG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.266,244-309-0,21277-16-7,2-oxo-4-imidazolinecarboxylic acid,2-oxoimidazolidine-4-carboxylic acid,OC(=O)C1CNC(=O)N1,OC(=O)C1CNC(=O)N1,"InChI=1/C4H6N2O3/c7-3(8)2-1-5-4(9)6-2/h2H,1H2,(H,7,8)(H2,5,6,9)",C4H6N2O3,,,,,,KZKRPYCBSZIQKN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.267,244-310-6,21280-29-5,"Decahydro-2,8,8-trimethylnaphthalene-2,4a-carbolactone","2,8,8-trimethyloctahydro-2H-4a,2-(epoxymethano)naphthalen-10-one",CC1(C)CCCC23CCC(C)(CC12)C(=O)O3,CC1(C)CCCC23CCC(C)(CC12)C(=O)O3,"InChI=1/C14H22O2/c1-12(2)5-4-6-14-8-7-13(3,9-10(12)14)11(15)16-14/h10H,4-9H2,1-3H3",C14H22O2,,,,,,TUVXRDNMAFEUBI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.111,250-738-4,31633-71-3,"Dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate","dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate",COC(=O)N1CCC(=O)C(C)(C1)C(=O)OC,COC(=O)N1CCC(=O)C(C)(C1)C(=O)OC,"InChI=1/C10H15NO5/c1-10(8(13)15-2)6-11(9(14)16-3)5-4-7(10)12/h4-6H2,1-3H3",C10H15NO5,,,,,,HAZRPOJOJSFKAP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.116,250-744-7,31638-54-7,"(1R-endo)-3-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one hydrochloride","3-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one hydrochloride",Cl.CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2N,Cl.CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2N,"InChI=1/C10H17NO.ClH/c1-9(2)6-4-5-10(9,3)8(12)7(6)11;/h6-7H,4-5,11H2,1-3H3;1H",C10H17NO.ClH,,,,,,ALNUTSMOPLYNMX-BFAMOKSNSA-N,,,,,,,,,,,
100.046.120,250-748-9,31643-49-9,"5-nitrobenzene-1,2-dicarbonitrile",4-nitrophthalonitrile,[O-][N+](=O)c1ccc(C#N)c(c1)C#N,[O-][N+](=O)c1ccc(C#N)c(c1)C#N,InChI=1/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H,C8H3N3O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6278,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.120,NTZMSBAAHBICLE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.994,250-610-8,31394-54-4,Isoheptane,2-methylhexane,CCCCC(C)C,CCCCC(C)C,"InChI=1/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3",C7H16,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11653,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.994,GXDHCNNESPLIKD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.812,248-209-8,27074-03-9,"1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile","6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CN1C(=CC(=C(C#N)C1=O)C)O,CN1C(=CC(=C(C#N)C1=O)C)O,"InChI=1/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,11H,1-2H3",C8H8N2O2,,,,,,RTTKVNNZRGYCTK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.816,248-214-5,27081-10-3,Cycloheptatrienylium tetrafluoroborate(1-),"cyclohepta-1,3,5-trienylium tetrafluoroborate",F[B-](F)(F)F.C1C=CC=CC=[C+]1,F[B-](F)(F)F.C1C=CC=CC=[C+]1,"InChI=1/C7H8.BF4/c1-2-4-6-7-5-3-1;2-1(3,4)5/h1-6H,7H2;/q+1;-1",C7H7.BF4,,,,,,PYMHDDQPGLTYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.821,248-219-2,27090-63-7,"N,N,N',N'-tetrabutylhexane-1,6-diamine","N,N,N',N'-tetrabutylhexane-1,6-diamine",CCCCN(CCCC)CCCCCCN(CCCC)CCCC,CCCCN(CCCC)CCCCCCN(CCCC)CCCC,"InChI=1/C22H48N2/c1-5-9-17-23(18-10-6-2)21-15-13-14-16-22-24(19-11-7-3)20-12-8-4/h5-22H2,1-4H3",C22H48N2,,,,,,UPPIBFVZIFKMFO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.825,248-223-4,27096-31-7,Triethylammonium nitrate,"N,N-diethylethanaminium nitrate",CC[NH+](CC)CC.[O-][N+](=O)[O-],CC[NH+](CC)CC.[O-][N+](=O)[O-],"InChI=1/C6H15N.NO3/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;/q;-1/p+1",C6H15N.HNO3,,,,,,VOXVCYMHFQQEMC-UHFFFAOYSA-O,,,,,,,,,,,
100.043.826,248-225-5,27097-69-4,"Ethyl [3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylcarbamate","ethyl [3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylcarbamate",CCOC(=O)N(C)CCCN1c2ccccc2CCc3ccccc13,CCOC(=O)N(C)CCCN1c2ccccc2CCc3ccccc13,"InChI=1/C21H26N2O2/c1-3-25-21(24)22(2)15-8-16-23-19-11-6-4-9-17(19)13-14-18-10-5-7-12-20(18)23/h4-7,9-12H,3,8,13-16H2,1-2H3",C21H26N2O2,,,,,,LHIUCHNQBHLYMH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.557,244-629-0,21883-56-7,Tellurium tetranitrate,tellurium tetranitrate,[TeH2+2].[TeH2+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[TeH2+2].[TeH2+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/4NO3.2H2Te/c4*2-1(3)4;;/h;;;;2*1H2/q4*-1;2*+2,N4O12Te,,,,,,QXVQEWAEYOXRLG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.559,244-631-1,21884-44-6,"Rugulosin, 8,8'-dihydroxy-, (1S,1'S,2R,2'R,3S,3'S,9aR,9'aR)-","5,8,12,14,20,23,27,28-octahydroxy-6,21-dimethyloctacyclo[14.11.1.0~2,11~.0~2,15~.0~4,9~.0~13,17~.0~17,26~.0~19,24~]octacosa-4,6,8,11,19,21,23,26-octaene-3,10,18,25-tetrone (non-preferred name)",Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(=C7C(=O)c8c(O)cc(C)c(O)c8C(=O)C467)O)C35C(=O)c2c1O,Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(=C7C(=O)c8c(O)cc(C)c(O)c8C(=O)C467)O)C35C(=O)c2c1O,"InChI=1/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-34,37-40H,1-2H3",C30H22O12,,,,,,KXNUPFFSGSRABD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.563,244-635-3,21889-27-0,4-[(3-chlorophenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide,4-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)ccc4,Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)ccc4,"InChI=1/C24H18ClN3O3/c1-31-21-12-5-4-11-20(21)26-24(30)19-13-15-7-2-3-10-18(15)22(23(19)29)28-27-17-9-6-8-16(25)14-17/h2-14,29H,1H3,(H,26,30)",C24H18ClN3O3,,,,,,KJDVTHBTAGHDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.564,244-636-9,21889-28-1,4-[(5-chloro-o-tolyl)azo]-3-hydroxy-2-naphth-o-anisidide,4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,COc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(Cl)ccc4C)c2O,COc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(Cl)ccc4C)c2O,"InChI=1/C25H20ClN3O3/c1-15-11-12-17(26)14-21(15)28-29-23-18-8-4-3-7-16(18)13-19(24(23)30)25(31)27-20-9-5-6-10-22(20)32-2/h3-14,30H,1-2H3,(H,27,31)",C25H20ClN3O3,,,,,,VLENPWQNQFIXCX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.576,244-650-5,21905-86-2,Cinnoline-4-carboxylic acid,cinnoline-4-carboxylic acid,OC(=O)c1cnnc2ccccc12,OC(=O)c1cnnc2ccccc12,"InChI=1/C9H6N2O2/c12-9(13)7-5-10-11-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)",C9H6N2O2,,,,,,ZKOMQFDQFTVPBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.590,244-665-7,21928-50-7,4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol,4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol,OC1(CCNCC1)c2ccc(Cl)c(c2)C(F)(F)F,OC1(CCNCC1)c2ccc(Cl)c(c2)C(F)(F)F,"InChI=1/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2",C12H13ClF3NO,,,,,,RALRVIPTUXSBPO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.598,244-674-6,21947-98-8,N-[tert-butoxycarbonyl]-S-trityl-L-cysteine,N-(tert-butoxycarbonyl)-S-trityl-L-cysteine,CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O,"InChI=1/C27H29NO4S/c1-26(2,3)32-25(31)28-23(24(29)30)19-33-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,28,31)(H,29,30)",C27H29NO4S,,,,,,JDTOWOURWBDELG-QHCPKHFHSA-N,,,,,,,,,,,
100.018.835,220-717-4,2876-13-3,1-benzylpyridinium chloride,1-benzylpyridinium chloride,[Cl-].C(c1ccccc1)[n+]2ccccc2,[Cl-].C(c1ccccc1)[n+]2ccccc2,"InChI=1/C12H12N.ClH/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h1-10H,11H2;1H/q+1;/p-1",C12H12N.Cl,,,,,,GNPSDJOWGWWXSS-UHFFFAOYSA-M,,,,,,,,,,,
100.018.836,220-719-5,2876-22-4,Phenazin-1-ylamine,phenazin-1-amine,Nc1cccc2nc3ccccc3nc12,Nc1cccc2nc3ccccc3nc12,"InChI=1/C12H9N3/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,13H2",C12H9N3,,,,,,QWUFXJHVFNRNCU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.837,220-720-0,2876-78-0,Methyl 1-naphthylacetate,methyl 1-naphthylacetate,COC(=O)Cc1cccc2ccccc12,COC(=O)Cc1cccc2ccccc12,"InChI=1/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3",C13H12O2,,,,,,YGGXZTQSGNFKPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.838,220-721-6,2877-14-7,Pentachlorophenoxyacetic acid,(pentachlorophenoxy)acetic acid,OC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,OC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C8H3Cl5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)",C8H3Cl5O3,,,,,,OBEUDXCKNSDQIL-UHFFFAOYSA-N,,,,,,,,,,,
100.018.841,220-724-2,2878-14-0,2-methylprop-2-en-1-ylamine,2-methylprop-2-en-1-amine,CC(=C)CN,CC(=C)CN,"InChI=1/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3",C4H9N,,,,,,VXDHQYLFEYUMFY-UHFFFAOYSA-N,,,,,,,,,,,
100.018.842,220-725-8,2879-15-4,"8-benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","8-benzyl-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2[nH]c(Cc3ccccc3)nc2C1=O,CN1C(=O)N(C)c2[nH]c(Cc3ccccc3)nc2C1=O,"InChI=1/C14H14N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)",C14H14N4O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16834,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.842,SWKGFZTXWQMFLK-UHFFFAOYSA-N,,,,,,,,,,,
100.018.851,220-735-2,2882-19-1,Ethyl bromophenylacetate,ethyl bromo(phenyl)acetate,CCOC(=O)C(Br)c1ccccc1,CCOC(=O)C(Br)c1ccccc1,"InChI=1/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",C10H11BrO2,,,,,,BKTKLDMYHTUESO-UHFFFAOYSA-N,,,,,,,,,,,
100.018.854,220-738-9,2882-22-6,2-methoxy-5-methylpyrazine,2-methoxy-5-methylpyrazine,COc1cnc(C)cn1,COc1cnc(C)cn1,"InChI=1/C6H8N2O/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3",C6H8N2O,,,,,,OHQNWZNVCSEVEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.867,220-753-0,4/06/2888,3-chlorobenzenesulphonyl chloride,3-chlorobenzenesulfonyl chloride,Clc1cccc(c1)S(=O)(=O)Cl,Clc1cccc(c1)S(=O)(=O)Cl,"InChI=1/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H",C6H4Cl2O2S,,,,,,OINWZUJVEXUHCC-UHFFFAOYSA-N,,,,,,,,,,,
100.018.418,220-260-0,2691-41-0,"Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine","1,3,5,7-tetranitro-1,3,5,7-tetrazocane",[O-][N+](=O)N1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)N1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2,C4H8N8O8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5293,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.418,UZGLIIJVICEWHF-UHFFFAOYSA-N,,,,,,,,,,,
100.018.426,220-268-4,2695-48-9,8-bromooct-1-ene,8-bromooct-1-ene,BrCCCCCCC=C,BrCCCCCCC=C,"InChI=1/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2",C8H15Br,,,,,,SNMOMUYLFLGQQS-UHFFFAOYSA-N,,,,,,,,,,,
100.018.428,220-271-0,2696-84-6,4-propylaniline,4-propylaniline,CCCc1ccc(N)cc1,CCCc1ccc(N)cc1,"InChI=1/C9H13N/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3,10H2,1H3",C9H13N,,,,,,OAPDPORYXWQVJE-UHFFFAOYSA-N,,,,,,,,,,,
100.018.431,220-274-7,2697-92-9,(17ß)-17-[[(cyclohexylmethoxy)carbonyl]oxy]androst-4-en-3-one,cyclohexylmethyl 3-oxoandrost-4-en-17-yl carbonate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)OCC5CCCCC5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)OCC5CCCCC5,"InChI=1/C27H40O4/c1-26-14-12-20(28)16-19(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)31-25(29)30-17-18-6-4-3-5-7-18/h16,18,21-24H,3-15,17H2,1-2H3",C27H40O4,,,,,,INQMBXZKQQQESC-ZLQWOROUSA-N,,,,,,,,,,,
100.018.434,220-277-3,2698-40-0,Isopropyl (4-chloro-2-methylphenoxy)acetate,isopropyl (4-chloro-2-methylphenoxy)acetate,CC(C)OC(=O)COc1ccc(Cl)cc1C,CC(C)OC(=O)COc1ccc(Cl)cc1C,"InChI=1/C12H15ClO3/c1-8(2)16-12(14)7-15-11-5-4-10(13)6-9(11)3/h4-6,8H,7H2,1-3H3",C12H15ClO3,,,,,,BOEYMHRHUPNCAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.436,220-279-4,8/11/2699,Cyclohexylidene hydroperoxide,"cyclohexane-1,1-diyl dihydroperoxide",OOC1(CCCCC1)OO,OOC1(CCCCC1)OO,"InChI=1/C6H12O4/c7-9-6(10-8)4-2-1-3-5-6/h7-8H,1-5H2",C6H12O4,,,,,,KYDNMMZJQGVHQM-UHFFFAOYSA-N,,,,,,,,,,,
100.018.455,220-300-7,2706-90-3,Perfluorovaleric acid,nonafluoropentanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)",C5HF9O2,,,,,,CXZGQIAOTKWCDB-UHFFFAOYSA-N,Negative,,,,,,EA271451|EA271452|EA271457|EA271458|EA271459|EA271460,[M-H]-,CID35|HCD15|HCD90|HCD15|HCD30|HCD45,218.9862:196.9834|218.986|218.9865|218.9858:196.9834|218.9857|218.9865,Eawag
100.018.458,220-303-3,2708-97-6,"1,2,3,4-tetrafluoro-5,6-diiodobenzene","1,2,3,4-tetrafluoro-5,6-diiodobenzene",Fc1c(F)c(F)c(I)c(I)c1F,Fc1c(F)c(F)c(I)c(I)c1F,InChI=1/C6F4I2/c7-1-2(8)4(10)6(12)5(11)3(1)9,C6F4I2,,,,,,JQBYIZAYQMMVTO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.846,248-247-5,27135-90-6,"3a,4,5,6,7,7a-hexahydromethoxy-4,7-methano-1H-indene","1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",COC1C=CC2C3CCC(C3)C12,COC1C=CC2C3CCC(C3)C12,"InChI=1/C11H16O/c1-12-10-5-4-9-7-2-3-8(6-7)11(9)10/h4-5,7-11H,2-3,6H2,1H3",C11H16O,,,,,,SIARUXURUGLXOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.556,244-628-5,21881-77-6,"Dimethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C,COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C,"InChI=1/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,18H,1-4H3",C17H18N2O6,,,,,,MCTRZKAKODSRLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.566,244-639-5,21892-63-7,Methylenebis(diphenylarsine),methylenebis(diphenylarsine),C([As](c1ccccc1)c2ccccc2)[As](c3ccccc3)c4ccccc4,C([As](c1ccccc1)c2ccccc2)[As](c3ccccc3)c4ccccc4,"InChI=1/C25H22As2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2",C25H22As2,,,,,,AJVCEIPMQIRLFR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.567,244-640-0,21894-06-4,1-hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid,1-hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid,OC(=O)c1cc(Oc2ccc(cc2)[N+](=O)[O-])c3ccccc3c1O,OC(=O)c1cc(Oc2ccc(cc2)[N+](=O)[O-])c3ccccc3c1O,"InChI=1/C17H11NO6/c19-16-13-4-2-1-3-12(13)15(9-14(16)17(20)21)24-11-7-5-10(6-8-11)18(22)23/h1-9,19H,(H,20,21)",C17H11NO6,,,,,,DBNQZGPCPCXGCX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.569,244-642-1,21897-55-2,"3-hydroxy-2,2-bis(hydroxymethyl)propyl heptanoate","3-hydroxy-2,2-bis(hydroxymethyl)propyl heptanoate",CCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C12H24O5/c1-2-3-4-5-6-11(16)17-10-12(7-13,8-14)9-15/h13-15H,2-10H2,1H3",C12H24O5,,,,,,PBHMHFVAFKKQIA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.571,244-644-2,21898-45-3,Ethyl 1-methyl-a-oxo-1H-pyrrole-2-acetate,ethyl (1-methyl-1H-pyrrol-2-yl)(oxo)acetate,CCOC(=O)C(=O)c1cccn1C,CCOC(=O)C(=O)c1cccn1C,"InChI=1/C9H11NO3/c1-3-13-9(12)8(11)7-5-4-6-10(7)2/h4-6H,3H2,1-2H3",C9H11NO3,,,,,,HZSVMMXNUWDJPP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.573,244-646-3,21900-37-8,"2,6-dimethylbenzoyl chloride","2,6-dimethylbenzoyl chloride",Cc1cccc(C)c1C(=O)Cl,Cc1cccc(C)c1C(=O)Cl,"InChI=1/C9H9ClO/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3",C9H9ClO,,,,,,CFLAYISSADVCJH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.581,244-655-2,21908-85-0,4-chloro-9H-thioxanthen-9-one,4-chloro-9H-thioxanthen-9-one,Clc1cccc2C(=O)c3ccccc3Sc12,Clc1cccc2C(=O)c3ccccc3Sc12,InChI=1/C13H7ClOS/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7H,C13H7ClOS,,,,,,SGSKTOKJZHJRCN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.582,244-656-8,21911-84-2,Methyl N-phenyl-ß-alaninate,methyl N-phenyl-beta-alaninate,COC(=O)CCNc1ccccc1,COC(=O)CCNc1ccccc1,"InChI=1/C10H13NO2/c1-13-10(12)7-8-11-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3",C10H13NO2,,,,,,TWAMXXLZDQNMCF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.583,244-657-3,21912-24-3,5-[(2-chloroethyl)sulphonyl]bicyclo[2.2.1]heptane-2-carbonyl chloride,5-[(2-chloroethyl)sulfonyl]bicyclo[2.2.1]heptane-2-carbonyl chloride,ClCCS(=O)(=O)C1CC2CC1CC2C(=O)Cl,ClCCS(=O)(=O)C1CC2CC1CC2C(=O)Cl,"InChI=1/C10H14Cl2O3S/c11-1-2-16(14,15)9-5-6-3-7(9)4-8(6)10(12)13/h6-9H,1-5H2",C10H14Cl2O3S,,,,,,LCOLLZNVOZERDL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.585,244-659-4,21915-40-2,9-cyclohexylbicyclo[3.3.1]nonan-9-ol,9-cyclohexylbicyclo[3.3.1]nonan-9-ol,OC1(C2CCCCC2)C3CCCC1CCC3,OC1(C2CCCCC2)C3CCCC1CCC3,"InChI=1/C15H26O/c16-15(12-6-2-1-3-7-12)13-8-4-9-14(15)11-5-10-13/h12-14,16H,1-11H2",C15H26O,,,,,,MYSPSMCNWBEYPP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.594,244-669-9,21937-63-3,2-(dimethylamino)ethyl nicotinate,2-(dimethylamino)ethyl nicotinate,CN(C)CCOC(=O)c1cccnc1,CN(C)CCOC(=O)c1cccnc1,"InChI=1/C10H14N2O2/c1-12(2)6-7-14-10(13)9-4-3-5-11-8-9/h3-5,8H,6-7H2,1-2H3",C10H14N2O2,,,,,,JNGIYILIWDVASL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.134,248-563-3,27607-42-7,"2-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)amino]ethanol","2-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)amino]ethanol",OCCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H10F17NO/c13-5(14,1-2-30-3-4-31)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h30-31H,1-4H2",C12H10F17NO,,,,,,AFNLZEWJLHEBLO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.144,248-574-3,27618-25-3,3-m-toluidinopropiononitrile,3-[(3-methylphenyl)amino]propanenitrile,Cc1cccc(NCCC#N)c1,Cc1cccc(NCCC#N)c1,"InChI=1/C10H12N2/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2,4-5,8,12H,3,7H2,1H3",C10H12N2,,,,,,VUUHXRVVDUAGOL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.146,248-576-4,27619-89-2,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonyl chloride","3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,"InChI=1/C8H4ClF13O2S/c9-25(23,24)2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2",C8H4ClF13O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10635,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.146,NDBZVZPOTNLWLU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.124,250-753-6,31654-77-0,"(Z,E)-tetradeca-9,12-dienyl acetate","tetradeca-9,12-dien-1-yl acetate",CC(=O)OCCCCCCCC/C=C\\CC=[C@H]C,CC(=O)OCCCCCCCC/C=C\CC=[C@H]C,"InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3",C16H28O2,,,,,,ZZGJZGSVLNSDPG-JZATWXMZSA-N,,,,,,,,,,,
100.039.877,243-881-9,20563-11-5,"[2,2-bis(hydroxymethyl)butyl] hydrogen adipate","6-[2,2-bis(hydroxymethyl)butoxy]-6-oxohexanoic acid",CCC(CO)(CO)COC(=O)CCCCC(=O)O,CCC(CO)(CO)COC(=O)CCCCC(=O)O,"InChI=1/C12H22O6/c1-2-12(7-13,8-14)9-18-11(17)6-4-3-5-10(15)16/h13-14H,2-9H2,1H3,(H,15,16)",C12H22O6,,,,,,VQYGZOOQRFNLFW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.880,243-885-0,20566-35-2,"2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate","2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate",CC(O)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCOCCO,CC(O)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCOCCO,"InChI=1/C15H16Br4O7/c1-7(21)6-26-15(23)9-8(10(16)12(18)13(19)11(9)17)14(22)25-5-4-24-3-2-20/h7,20-21H,2-6H2,1H3",C15H16Br4O7,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13114,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.880,OQHHASWHOGRCRC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.888,243-893-4,20579-43-5,"3,4,5-trimethylpyridine","3,4,5-trimethylpyridine",Cc1cncc(C)c1C,Cc1cncc(C)c1C,"InChI=1/C8H11N/c1-6-4-9-5-7(2)8(6)3/h4-5H,1-3H3",C8H11N,,,,,,VCMUWBCBVPWJPS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.892,243-898-1,20592-10-3,2-ethyloctan-1-ol,2-ethyloctan-1-ol,CCCCCCC(CC)CO,CCCCCCC(CC)CO,"InChI=1/C10H22O/c1-3-5-6-7-8-10(4-2)9-11/h10-11H,3-9H2,1-2H3",C10H22O,,,,,,HTRVTKUOKQWGMO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.895,243-901-6,20594-83-6,Nalbuphine,"17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol",O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45,O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45,"InChI=1/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2",C21H27NO4,,,,,,NETZHAKZCGBWSS-CEDHKZHLSA-N,,,,,,,,,,,
100.039.899,243-905-8,20596-93-4,Magnesium uranium(4+) hexaacetate,magnesium uranium(4+) hexaacetate,[Mg+2].[U+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Mg+2].[U+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/6C2H4O2.Mg.U/c6*1-2(3)4;;/h6*1H3,(H,3,4);;/q;;;;;;+2;+4/p-6",C2H4O2.1/6Mg.1/6U,,,,,,LLNFARKALJLYGA-UHFFFAOYSA-H,,,,,,,,,,,
100.039.900,243-906-3,20599-77-3,"Decanoic acid, compound with morpholine (1:1)",decanoic acid - morpholine (1:1),CCCCCCCCCC(=O)O.C1COCCN1,CCCCCCCCCC(=O)O.C1COCCN1,"InChI=1/C10H20O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-3-6-4-2-5-1/h2-9H2,1H3,(H,11,12);5H,1-4H2",C10H20O2.C4H9NO,,,,,,NBSJLWVJXSBMPD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.901,243-907-9,20600-61-7,(butylthio)acetic acid,(butylsulfanyl)acetic acid,CCCCSCC(=O)O,CCCCSCC(=O)O,"InChI=1/C6H12O2S/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)",C6H12O2S,,,,,,ILLCGAJCYFLVSV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.905,243-912-6,20602-80-6,Diacrylamide,N-acryloylacrylamide,C=CC(=O)NC(=O)C=C,C=CC(=O)NC(=O)C=C,"InChI=1/C6H7NO2/c1-3-5(8)7-6(9)4-2/h3-4H,1-2H2,(H,7,8,9)",C6H7NO2,,,,,,CHDKQNHKDMEASZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.542,243-512-1,20103-09-7,"2,5-dichlorobenzene-1,4-diamine","2,5-dichlorobenzene-1,4-diamine",Nc1cc(Cl)c(N)cc1Cl,Nc1cc(Cl)c(N)cc1Cl,"InChI=1/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2",C6H6Cl2N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17131,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.542,QAYVHDDEMLNVMO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.543,243-513-7,20103-10-0,"2,6-dichlorohydroquinone","2,6-dichlorobenzene-1,4-diol",Oc1cc(Cl)c(O)c(Cl)c1,Oc1cc(Cl)c(O)c(Cl)c1,"InChI=1/C6H4Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H",C6H4Cl2O2,,,,,,QQAHQUBHRBQWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.547,243-517-9,20109-39-1,2-[2-(benzoyloxy)propoxy]propyl benzoate,2-[2-(benzoyloxy)-1-methylethoxy]-1-methylethyl benzoate,CC(COC(=O)c1ccccc1)OCC(C)OC(=O)c2ccccc2,CC(COC(=O)c1ccccc1)OCC(C)OC(=O)c2ccccc2,"InChI=1/C20H22O5/c1-15(13-24-19(21)17-9-5-3-6-10-17)23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3",C20H22O5,,,,,,LXODQLXKQIJVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.550,243-521-0,20115-23-5,Phenyl valerate,phenyl valerate,CCCCC(=O)Oc1ccccc1,CCCCC(=O)Oc1ccccc1,"InChI=1/C11H14O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C11H14O2,,,,,,MVIMPQVBUPCHEV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.553,243-524-7,20120-21-2,"Ethyl N,N-dimethyl-ß-alaninate","ethyl N,N-dimethyl-beta-alaninate",CCOC(=O)CCN(C)C,CCOC(=O)CCN(C)C,"InChI=1/C7H15NO2/c1-4-10-7(9)5-6-8(2)3/h4-6H2,1-3H3",C7H15NO2,,,,,,IZMJWGJGVGRWBW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.554,243-525-2,20120-23-4,"Ethyl N,N-dibutyl-ß-alaninate","ethyl N,N-dibutyl-beta-alaninate",CCCCN(CCCC)CCC(=O)OCC,CCCCN(CCCC)CCC(=O)OCC,"InChI=1/C13H27NO2/c1-4-7-10-14(11-8-5-2)12-9-13(15)16-6-3/h4-12H2,1-3H3",C13H27NO2,,,,,,SVFAGVSFZREYAA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.133,248-562-8,27607-36-9,"2,2'-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)imino]bisethanol","2,2'-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)imino]diethanol",OCCN(CCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCN(CCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H14F17NO2/c15-7(16,1-2-32(3-5-33)4-6-34)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h33-34H,1-6H2",C14H14F17NO2,,,,,,MOUDFVMYURTYQA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.138,248-568-0,27608-03-3,3-methylheptan-1-al,3-methylheptanal,CCCCC(C)CC=O,CCCCC(C)CC=O,"InChI=1/C8H16O/c1-3-4-5-8(2)6-7-9/h7-8H,3-6H2,1-2H3",C8H16O,,,,,,KKFRYFDYAVLCHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.142,248-572-2,27611-63-8,2-cyanobenzoyl chloride,2-cyanobenzoyl chloride,ClC(=O)c1ccccc1C#N,ClC(=O)c1ccccc1C#N,InChI=1/C8H4ClNO/c9-8(11)7-4-2-1-3-6(7)5-10/h1-4H,C8H4ClNO,,,,,,STNAQENUCOFEKN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.149,248-580-6,27619-97-2,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonic acid","3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid",OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)",C8H5F13O3S,,,,,,VIONGDJUYAYOPU-UHFFFAOYSA-N,Negative,,,,,,SM883655,[M-H]-,HCD35,426.968:406.9618,CASMI_2016
100.044.152,248-583-2,27636-75-5,Sodium undecylbenzenesulphonate,sodium 2-undecylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCCC,[Na+].[O-]S(=O)(=O)c1ccccc1CCCCCCCCCCC,"InChI=1/C17H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21(18,19)20;/h11-12,14-15H,2-10,13H2,1H3,(H,18,19,20);/q;+1/p-1",C17H28O3S.Na,,,,,,YDXPQRDEXXBSRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.158,248-590-0,27644-18-4,"2,2-dimethylpropionyl bromide","2,2-dimethylpropanoyl bromide",CC(C)(C)C(=O)Br,CC(C)(C)C(=O)Br,"InChI=1/C5H9BrO/c1-5(2,3)4(6)7/h1-3H3",C5H9BrO,,,,,,PLUVDASVCADYIX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.167,248-600-3,27678-26-8,"Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-[4-[(4-sulphonatophenyl)azo]anilino]anthracene-2-sulphonate","disodium 1-amino-9,10-dioxo-4-({4-[(4-sulfonatophenyl)diazenyl]phenyl}amino)-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O,"InChI=1/C26H18N4O8S2.2Na/c27-24-21(40(36,37)38)13-20(22-23(24)26(32)19-4-2-1-3-18(19)25(22)31)28-14-5-7-15(8-6-14)29-30-16-9-11-17(12-10-16)39(33,34)35;;/h1-13,28H,27H2,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C26H18N4O8S2.2Na,,,,,,SBMCSHSFOZRNHP-UHFFFAOYSA-L,,,,,,,,,,,
100.044.171,248-605-0,27685-90-1,"2,3-dihydro-2-oxobenzoxazole-6-sulphonyl chloride","2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride",ClS(=O)(=O)c1ccc2NC(=O)Oc2c1,ClS(=O)(=O)c1ccc2NC(=O)Oc2c1,"InChI=1/C7H4ClNO4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)",C7H4ClNO4S,,,,,,IBHCNMJSVDRBSY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.172,248-606-6,27686-84-6,"(R*,S*)-4,4'-(2,3-dimethylbutane-1,4-diyl)bispyrocatechol","4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol",CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,"InChI=1/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3",C18H22O4,,,,,,HCZKYJDFEPMADG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.880,244-985-7,22421-56-3,[(o-bromophenoxy)methyl]oxirane,2-[(2-bromophenoxy)methyl]oxirane,Brc1ccccc1OCC2CO2,Brc1ccccc1OCC2CO2,"InChI=1/C9H9BrO2/c10-8-3-1-2-4-9(8)12-6-7-5-11-7/h1-4,7H,5-6H2",C9H9BrO2,,,,,,CFPYDAOUKFUDEY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.882,244-987-8,22421-71-2,Calcium diheptanoate,calcium diheptanoate,[Ca+2].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],[Ca+2].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],"InChI=1/2C7H14O2.Ca/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2",C7H14O2.1/2Ca,,,,,,BURFOJRYLQGPSB-UHFFFAOYSA-L,,,,,,,,,,,
100.040.886,244-992-5,22430-63-3,"5,6-dimethyl-1H-indene","5,6-dimethyl-1H-indene",Cc1cc2CC=Cc2cc1C,Cc1cc2CC=Cc2cc1C,"InChI=1/C11H12/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,6-7H,5H2,1-2H3",C11H12,,,,,,RDAOPSHEXLLEKN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.887,244-993-0,22430-64-4,"4,6-dimethyl-1H-indene","4,6-dimethyl-1H-indene",Cc1cc(C)c2C=CCc2c1,Cc1cc(C)c2C=CCc2c1,"InChI=1/C11H12/c1-8-6-9(2)11-5-3-4-10(11)7-8/h3,5-7H,4H2,1-2H3",C11H12,,,,,,KIEPLAOSYPLFEI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.888,244-994-6,22432-79-7,Octadecyl icosanoate,octadecyl icosanoate,CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C38H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3",C38H76O2,,,,,,XPRSWAIUFMEQLF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.889,244-995-1,22432-80-0,Icosyl icosanoate,icosyl icosanoate,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3",C40H80O2,,,,,,VJFBRZCPEBSUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.894,245-000-3,22441-28-7,Sodium pentachlorobenzenethiolate,sodium pentachlorobenzenethiolate,[Na+].[S-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,[Na+].[S-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6HCl5S.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1,C6HCl5S.Na,,,,,,AAVQRRMGGBTNAA-UHFFFAOYSA-M,,,,,,,,,,,
100.018.460,220-305-4,2711-20-8,"3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dimethylurea","3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dimethylurea",CN(C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F,CN(C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F,"InChI=1/C10H10ClF3N2O/c1-16(2)9(17)15-8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,1-2H3,(H,15,17)",C10H10ClF3N2O,,,,,,WPKYGXCUDANURX-UHFFFAOYSA-N,,,,,,,,,,,
100.018.461,220-307-5,2711-58-2,5-fluoro-1H-indole-3-ethylamine monohydrochloride,2-(5-fluoro-1H-indol-3-yl)ethanamine,NCCc1c[nH]c2ccc(F)cc12,NCCc1c[nH]c2ccc(F)cc12,"InChI=1/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2",C10H11FN2.ClH,,,,,,ZKIORVIXEWIOGB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.413,219-153-1,2/05/2374,"4-bromo-2,6-xylenol","4-bromo-2,6-dimethylphenol",Cc1cc(Br)cc(C)c1O,Cc1cc(Br)cc(C)c1O,"InChI=1/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3",C8H9BrO,,,,,,ZLVFYUORUHNMBO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.414,219-154-7,2374-14-3,"2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane","2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1,C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1,"InChI=1/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3",C12H21F9O3Si3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13466,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.414,URZHQOCYXDNFGN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.423,219-164-1,2379-75-1,"5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethylbenzo[b]thiophene-3(2H)-one","5,5'-dichloro-4,4',7,7'-tetramethyl-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",O=C3c4c(C)c(Cl)cc(C)c4SC3=C2Sc1c(C)cc(Cl)c(C)c1C2=O,O=C3c4c(C)c(Cl)cc(C)c4SC3=C2Sc1c(C)cc(Cl)c(C)c1C2=O,"InChI=1/C20H14Cl2O2S2/c1-7-5-11(21)9(3)13-15(23)19(25-17(7)13)20-16(24)14-10(4)12(22)6-8(2)18(14)26-20/h5-6H,1-4H3",C20H14Cl2O2S2,,,,,,WNQYKPVIXDBBAO-UHFFFAOYSA-N,,,,,,,,,,,
100.017.424,219-165-7,2379-76-2,"4',4'''-azobis[N-[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl][1,1'-biphenyl]-4-carboxamide]","4',4''-diazene-1,2-diylbis{N-[5-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]biphenyl-4-carboxamide}",O=C(Nc1cccc%11c1C(=O)c%10cccc(NC(=O)c2ccc(cc2)c3ccc(cc3)N=Nc4ccc(cc4)c5ccc(cc5)C(=O)Nc9cccc8C(=O)c7c(cccc7NC(=O)c6ccccc6)C(=O)c89)c%10C%11=O)c%12ccccc%12,O=C(Nc1cccc%11c1C(=O)c%10cccc(NC(=O)c2ccc(cc2)c3ccc(cc3)N=Nc4ccc(cc4)c5ccc(cc5)C(=O)Nc9cccc8C(=O)c7c(cccc7NC(=O)c6ccccc6)C(=O)c89)c%10C%11=O)c%12ccccc%12,"InChI=1/C68H42N6O8/c75-61-51-17-9-21-55(59(51)63(77)49-15-7-19-53(57(49)61)69-65(79)43-11-3-1-4-12-43)71-67(81)45-27-23-39(24-28-45)41-31-35-47(36-32-41)73-74-48-37-33-42(34-38-48)40-25-29-46(30-26-40)68(82)72-56-22-10-18-52-60(56)64(78)50-16-8-20-54(58(50)62(52)76)70-66(80)44-13-5-2-6-14-44/h1-38H,(H,69,79)(H,70,80)(H,71,81)(H,72,82)",C68H42N6O8,,,,,,WXNSNFJLYJBMBT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.426,219-167-8,2379-78-4,"N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,11-diyl)bis(benzamide)","N,N'-(5,10,15,17-tetraoxo-10,15,16,17-tetrahydro-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,11-diyl)dibenzamide",O=C(Nc1cccc2C(=O)c3c(ccc4c5ccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c6c5[nH]c34)C(=O)c12)c9ccccc9,O=C(Nc1cccc2C(=O)c3c(ccc4c5ccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c6c5[nH]c34)C(=O)c12)c9ccccc9,"InChI=1/C42H23N3O6/c46-37-27-19-17-23-24-18-20-28-34(40(49)26-14-8-16-30(32(26)38(28)47)44-42(51)22-11-5-2-6-12-22)36(24)45-35(23)33(27)39(48)25-13-7-15-29(31(25)37)43-41(50)21-9-3-1-4-10-21/h1-20,45H,(H,43,50)(H,44,51)",C42H23N3O6,,,,,,WZSLDJBBPHUGJT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.430,219-172-5,2379-92-2,"Disodium 1,1'-methylenedi(naphthalene-2-sulphonate)","disodium 1,1'-methylenedinaphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1Cc3c(ccc4ccccc34)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1Cc3c(ccc4ccccc34)S(=O)(=O)[O-],"InChI=1/C21H16O6S2.2Na/c22-28(23,24)20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)29(25,26)27;;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C21H16O6S2.2Na,,,,,,SPDUFLWDSCKGPG-UHFFFAOYSA-L,,,,,,,,,,,
100.017.432,219-174-6,2380-63-4,"1H-pyrazolo[3,4-d]pyrimidin-4-amine","1H-pyrazolo[3,4-d]pyrimidin-4-amine",Nc1ncnc2[nH]ncc12,Nc1ncnc2[nH]ncc12,"InChI=1/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)",C5H5N5,,,,,,LHCPRYRLDOSKHK-UHFFFAOYSA-N,,,,,,,,,,,
100.017.433,219-175-1,2380-78-1,4-(2-hydroxyethyl)guaiacol,4-(2-hydroxyethyl)-2-methoxyphenol,COc1cc(CCO)ccc1O,COc1cc(CCO)ccc1O,"InChI=1/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3",C9H12O3,,,,,,XHUBSJRBOQIZNI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.434,219-176-7,2380-91-8,4-hydroxy-a-methylbenzyl alcohol,4-(1-hydroxyethyl)phenol,CC(O)c1ccc(O)cc1,CC(O)c1ccc(O)cc1,"InChI=1/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3",C8H10O2,,,,,,PMRFBLQVGJNGLU-UHFFFAOYSA-N,,,,,,,,,,,
100.017.443,219-186-1,2382-65-2,"Cytidylyl-(3',5')-guanosine",-,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4C(CO)OC(C4O)N5C=CC(=NC5=O)N)C(O)C3O)C(=O)N1,NC1=Nc2c(ncn2C3OC(COP(=O)(O)OC4C(CO)OC(C4O)N5C=CC(=NC5=O)N)C(O)C3O)C(=O)N1,"InChI=1/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-12(31)13(6(3-28)37-17)39-40(34,35)36-4-7-10(29)11(30)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)",C19H25N8O12P,,,,,,CTMZLDSMFCVUNX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.444,219-187-7,2382-66-3,Cytidylyl(3'<U+2192>5')adenosine,-,NC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C2O,NC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C2O,"InChI=1/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)18-13(31)14(7(3-28)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)",C19H25N8O11P,,,,,,ZLVJWOGZEAIPAO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.156,248-587-4,27640-89-7,(Z)-docos-13-enyl (Z)-docos-13-enoate,docos-13-en-1-yl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCCOC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCCCCCOC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C44H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3",C44H84O2,,,,,,BZUVPTAFNJMPEZ-CLFAGFIQSA-N,,,,,,,,,,,
100.044.157,248-589-5,27644-04-8,"3,3,6-trimethylhepta-1,5-dien-4-ol","3,3,6-trimethylhepta-1,5-dien-4-ol",CC(=CC(O)C(C)(C)C=C)C,CC(=CC(O)C(C)(C)C=C)C,"InChI=1/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3",C10H18O,,,,,,WPPVSYVQAKQNJK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.159,248-591-6,27646-79-3,2-(methylamino)butan-1-ol,2-(methylamino)butan-1-ol,CCC(CO)NC,CCC(CO)NC,"InChI=1/C5H13NO/c1-3-5(4-7)6-2/h5-7H,3-4H2,1-2H3",C5H13NO,,,,,,HSHIHFMFJLIQDN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.162,248-594-2,27655-95-4,(±)-5-bromo-6-methoxy-a-methylnaphthalene-2-acetic acid,2-(5-bromo-6-methoxy-2-naphthyl)propanoic acid,COc1ccc2cc(ccc2c1Br)C(C)C(=O)O,COc1ccc2cc(ccc2c1Br)C(C)C(=O)O,"InChI=1/C14H13BrO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)",C14H13BrO3,,,,,,JZRWXNBIQCMXSU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.164,248-596-3,27673-48-9,"5,8-dihydro-1-naphthol","5,8-dihydronaphthalen-1-ol",Oc1cccc2CC=CCc12,Oc1cccc2CC=CCc12,"InChI=1/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2",C10H10O,,,,,,OAHLLHJOPUWLKW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.170,248-604-5,27685-83-2,"N,N'-(9,10-dihydro-9,10-dioxoanthracene-1,5-diyl)bis(2,3,4,5-tetrachlorobenzamide)","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(2,3,4,5-tetrachlorobenzamide)",Clc1cc(C(=O)Nc2cccc3C(=O)c4c(NC(=O)c5cc(Cl)c(Cl)c(Cl)c5Cl)cccc4C(=O)c23)c(Cl)c(Cl)c1Cl,Clc1cc(C(=O)Nc2cccc3C(=O)c4c(NC(=O)c5cc(Cl)c(Cl)c(Cl)c5Cl)cccc4C(=O)c23)c(Cl)c(Cl)c1Cl,"InChI=1/C28H10Cl8N2O4/c29-13-7-11(19(31)23(35)21(13)33)27(41)37-15-5-1-3-9-17(15)26(40)10-4-2-6-16(18(10)25(9)39)38-28(42)12-8-14(30)22(34)24(36)20(12)32/h1-8H,(H,37,41)(H,38,42)",C28H10Cl8N2O4,,,,,,BALJRXVQKKKPAL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.174,248-608-7,27690-02-4,"Dipotassium 9,10-dihydro-9,10-dioxoanthracene-1,5-disulphonate","dipotassium 9,10-dioxo-9,10-dihydroanthracene-1,5-disulfonate",[K+].[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12,[K+].[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12,"InChI=1/C14H8O8S2.2K/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H8O8S2.2K,,,,,,OBUXZYGZZJCYID-UHFFFAOYSA-L,,,,,,,,,,,
100.044.175,248-609-2,27692-35-9,4-(chloroethoxy)aniline,4-(1-chloroethoxy)aniline,CC(Cl)Oc1ccc(N)cc1,CC(Cl)Oc1ccc(N)cc1,"InChI=1/C8H10ClNO/c1-6(9)11-8-4-2-7(10)3-5-8/h2-6H,10H2,1H3",C8H10ClNO,,,,,,XFZXEJYZONMVDF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.177,248-611-3,27692-91-7,"N-ethyl-N',N'-dimethyl-N-phenylethylenediamine","N-ethyl-N',N'-dimethyl-N-phenylethane-1,2-diamine",CCN(CCN(C)C)c1ccccc1,CCN(CCN(C)C)c1ccccc1,"InChI=1/C12H20N2/c1-4-14(11-10-13(2)3)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3",C12H20N2,,,,,,FWAWELGQRMERND-UHFFFAOYSA-N,,,,,,,,,,,
100.040.879,244-984-1,22418-73-1,6-methylhept-5-en-2-one oxime,6-methylhept-5-en-2-one oxime,CC(CC\\C=C(\\C)C)=NO,CC(CC\C=C(\C)C)=NO,"InChI=1/C8H15NO/c1-7(2)5-4-6-8(3)9-10/h5,10H,4,6H2,1-3H3",C8H15NO,,,,,,UUTIAUFCXVFAOM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.881,244-986-2,22421-59-6,"[(2,6-dibromo-4-methylphenoxy)methyl]oxirane","2-[(2,6-dibromo-4-methylphenoxy)methyl]oxirane",Cc1cc(Br)c(OCC2CO2)c(Br)c1,Cc1cc(Br)c(OCC2CO2)c(Br)c1,"InChI=1/C10H10Br2O2/c1-6-2-8(11)10(9(12)3-6)14-5-7-4-13-7/h2-3,7H,4-5H2,1H3",C10H10Br2O2,,,,,,XWEPFVUYXGEZOY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.890,244-996-7,22437-79-2,Disodium mercaptosuccinate,disodium 2-sulfanylsuccinate,[Na+].[Na+].[O-]C(=O)CC(S)C(=O)[O-],[Na+].[Na+].[O-]C(=O)CC(S)C(=O)[O-],"InChI=1/C4H6O4S.2Na/c5-3(6)1-2(9)4(7)8;;/h2,9H,1H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H6O4S.2Na,,,,,,VZFDRQUWHOVFCA-UHFFFAOYSA-L,,,,,,,,,,,
100.040.892,244-998-8,22440-93-3,"N,N,N',N'-tetramethylbenzene-1,3-diamine","N,N,N',N'-tetramethylbenzene-1,3-diamine",CN(C)c1cccc(c1)N(C)C,CN(C)c1cccc(c1)N(C)C,"InChI=1/C10H16N2/c1-11(2)9-6-5-7-10(8-9)12(3)4/h5-8H,1-4H3",C10H16N2,,,,,,LFZLVJBOEONQHV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.898,245-005-0,22446-40-8,2-(2-hydroxyphenyl)acetamide,2-(2-hydroxyphenyl)acetamide,NC(=O)Cc1ccccc1O,NC(=O)Cc1ccccc1O,"InChI=1/C8H9NO2/c9-8(11)5-6-3-1-2-4-7(6)10/h1-4,10H,5H2,(H2,9,11)",C8H9NO2,,,,,,NPEGHCREQHYERS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.904,245-011-3,22457-25-6,"3,7-dimethyloct-6-enal oxime","3,7-dimethyloct-6-enal oxime",C/C(C)=C\\CCC(C)CC=NO,C/C(C)=C\CCC(C)CC=NO,"InChI=1/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3",C10H19NO,,,,,,JUCCIEVMICHZPK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.916,245-024-4,22480-91-7,"(2,3,4-trimethoxyphenyl)acetic acid","(2,3,4-trimethoxyphenyl)acetic acid",COc1ccc(CC(=O)O)c(OC)c1OC,COc1ccc(CC(=O)O)c(OC)c1OC,"InChI=1/C11H14O5/c1-14-8-5-4-7(6-9(12)13)10(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)",C11H14O5,,,,,,ZMWCKCLDAQWIDA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.561,243-533-6,20125-84-2,(Z)-oct-3-en-1-ol,oct-3-en-1-ol,CCCC\\C=C/CCO,CCCC\C=C/CCO,"InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3",C8H16O,,,,,,YDXQPTHHAPCTPP-WAYWQWQTSA-N,,,,,,,,,,,
100.039.562,243-534-1,20125-85-3,(E)-oct-3-en-1-ol,oct-3-en-1-ol,CCCC\\C=C\\CCO,CCCC\C=C\CCO,"InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3",C8H16O,,,,,,YDXQPTHHAPCTPP-AATRIKPKSA-N,,,,,,,,,,,
100.039.565,243-537-8,20132-75-6,Methyl 4-(aminocarbonyl)-2-nitrobenzoate,methyl 4-carbamoyl-2-nitrobenzoate,COC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N,COC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N,"InChI=1/C9H8N2O5/c1-16-9(13)6-3-2-5(8(10)12)4-7(6)11(14)15/h2-4H,1H3,(H2,10,12)",C9H8N2O5,,,,,,OYZKIZQJLPADLO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.570,243-543-0,20139-72-4,"2,2''-[(2,2'-dichloro-4,4'-biphenylylene)bis(azo)]bis[4'-chloro-2',5'-dimethoxyacetoacetanilide]","N-(4-chlorophenyl)-2-{[2,2'-dichloro-4'-({1-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-4-yl]diazenyl}-3-oxobutanamide",COc1cc(NC(=O)C(N=Nc2ccc(c(Cl)c2)c3ccc(cc3Cl)N=NC(C(=O)C)C(=O)Nc4ccc(Cl)cc4)C(=O)C)c(OC)cc1Cl,COc1cc(NC(=O)C(N=Nc2ccc(c(Cl)c2)c3ccc(cc3Cl)N=NC(C(=O)C)C(=O)Nc4ccc(Cl)cc4)C(=O)C)c(OC)cc1Cl,"InChI=1/C34H28Cl4N6O6/c1-17(45)31(33(47)39-20-7-5-19(35)6-8-20)43-41-21-9-11-23(25(36)13-21)24-12-10-22(14-26(24)37)42-44-32(18(2)46)34(48)40-28-16-29(49-3)27(38)15-30(28)50-4/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)",C36H32Cl4N6O8,,,,,,HPQHLIUTBIRGBT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.581,243-555-6,20168-99-4,Cinmetacin,(1-cinnamoyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid,OC(=O)Cc2c1cc(ccc1n(c2C)C(=O)C=Cc3ccccc3)OC,OC(=O)Cc2c1cc(ccc1n(c2C)C(=O)C=Cc3ccccc3)OC,"InChI=1/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)",C21H19NO4,,,,,,NKPPORKKCMYYTO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.531,247-900-1,26681-88-9,Phenyldivinylphosphine,phenyl(divinyl)phosphine,C=CP(C=C)c1ccccc1,C=CP(C=C)c1ccccc1,"InChI=1/C10H11P/c1-3-11(4-2)10-8-6-5-7-9-10/h3-9H,1-2H2",C10H11P,,,,,,GEKAWPIATFUQJW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.532,247-901-7,26684-57-1,"3-(4-pyridyl)pentane-1,5-diol","3-pyridin-4-ylpentane-1,5-diol",OCCC(CCO)c1ccncc1,OCCC(CCO)c1ccncc1,"InChI=1/C10H15NO2/c12-7-3-10(4-8-13)9-1-5-11-6-2-9/h1-2,5-6,10,12-13H,3-4,7-8H2",C10H15NO2,,,,,,IVTBMCOJNSRTAY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.535,247-904-3,26692-46-6,"2,2'-[(3-chlorophenyl)imino]bisethyl diacetate","[(3-chlorophenyl)imino]diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(=O)C)c1cccc(Cl)c1,CC(=O)OCCN(CCOC(=O)C)c1cccc(Cl)c1,"InChI=1/C14H18ClNO4/c1-11(17)19-8-6-16(7-9-20-12(2)18)14-5-3-4-13(15)10-14/h3-5,10H,6-9H2,1-2H3",C14H18ClNO4,,,,,,XLWDHQUMQZTMRU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.539,247-909-0,26694-87-1,N-[(2-naphthyloxy)carbonyl]-3-phenyl-DL-alanine,N-[(2-naphthyloxy)carbonyl]-L-phenylalanine,OC(=O)[C@H](Cc1ccccc1)NC(=O)Oc2ccc3ccccc3c2,OC(=O)[C@H](Cc1ccccc1)NC(=O)Oc2ccc3ccccc3c2,"InChI=1/C20H17NO4/c22-19(23)18(12-14-6-2-1-3-7-14)21-20(24)25-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,21,24)(H,22,23)",C20H17NO4,,,,,,FQTOTRMQZPBLBJ-SFHVURJKSA-N,,,,,,,,,,,
100.043.542,247-912-7,26717-47-5,Clofibride,4-(dimethylamino)-4-oxobutyl 2-(4-chlorophenoxy)-2-methylpropanoate,CN(C)C(=O)CCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,CN(C)C(=O)CCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,"InChI=1/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)21-11-5-6-14(19)18(3)4/h7-10H,5-6,11H2,1-4H3",C16H22ClNO4,,,,,,CXQGFLBVUNUQIA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.544,247-914-8,26717-67-9,Dimethyl ethylmalonate,dimethyl ethylmalonate,CCC(C(=O)OC)C(=O)OC,CCC(C(=O)OC)C(=O)OC,"InChI=1/C7H12O4/c1-4-5(6(8)10-2)7(9)11-3/h5H,4H2,1-3H3",C7H12O4,,,,,,XGRMVENQJLQMLT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.545,247-915-3,26718-83-2,Heptyl palmitate,heptyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCCCC,"InChI=1/C23H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23(24)25-22-20-18-8-6-4-2/h3-22H2,1-2H3",C23H46O2,,,,,,RLVQDVJFVFDINC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.546,247-916-9,26718-87-6,Butyl nonadecan-1-oate,butyl nonadecanoate,CCCCCCCCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-6-4-2/h3-22H2,1-2H3",C23H46O2,,,,,,ITNVNJXRNZATAY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.562,247-934-7,26720-10-5,Dipentadecyl succinate,dipentadecyl succinate,CCCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCCC,"InChI=1/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37-33(35)29-30-34(36)38-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C34H66O4,,,,,,WVKGLXRJHMDLAM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.901,245-008-7,22451-63-4,"(E)-7-methyl-3-methyleneocta-4,6-dien-2-ol","7-methyl-3-methyleneocta-4,6-dien-2-ol",CC(O)C(=C)\\C=C\\C=C(C)C,CC(O)C(=C)\C=C\C=C(C)C,"InChI=1/C10H16O/c1-8(2)6-5-7-9(3)10(4)11/h5-7,10-11H,3H2,1-2,4H3",C10H16O,,,,,,SHWZGIXBGZQLQQ-FNORWQNLSA-N,,,,,,,,,,,
100.040.902,245-009-2,22454-86-0,"Calcium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","calcium bis(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate)",[Ca+2].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2,[Ca+2].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2,"InChI=1/2C5H4N2O4.Ca/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",C5H4N2O4.1/2Ca,,,,,,SZKLQJZEAFLPDA-UHFFFAOYSA-L,,,,,,,,,,,
100.040.907,245-015-5,22460-95-3,"3,7-dimethyloct-7-ene-1,6-diol","3,7-dimethyloct-7-ene-1,6-diol",CC(CCO)CCC(O)C(=C)C,CC(CCO)CCC(O)C(=C)C,"InChI=1/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3",C10H20O2,,,,,,HWNJNAUJFVQJRV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.910,245-018-1,22464-99-9,"2-ethylhexanoic acid, zirconium salt",zirconium(2+) bis(2-ethylhexanoate),[Zr+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Zr+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Zr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.xZr,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14518,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.910,RIYRDRZNXDRTIL-UHFFFAOYSA-L,,,,,,,,,,,
100.040.920,245-029-1,22484-28-2,"5,7-dimethyl-1H-indene","5,7-dimethyl-1H-indene",Cc1cc(C)c2CC=Cc2c1,Cc1cc(C)c2CC=Cc2c1,"InChI=1/C11H12/c1-8-6-9(2)11-5-3-4-10(11)7-8/h3-4,6-7H,5H2,1-2H3",C11H12,,,,,,VFFREFLVFCXNDU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.848,248-249-6,27136-79-4,[methylidynetris(oxy)]trisisodecane,"1,1',1''-[methanetriyltris(oxy)]tris(8-methylnonane)",CC(C)CCCCCCCOC(OCCCCCCCC(C)C)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(OCCCCCCCC(C)C)OCCCCCCCC(C)C,"InChI=1/C31H64O3/c1-28(2)22-16-10-7-13-19-25-32-31(33-26-20-14-8-11-17-23-29(3)4)34-27-21-15-9-12-18-24-30(5)6/h28-31H,7-27H2,1-6H3",C31H64O3,,,,,,REGOXHBDMWJBSB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.850,248-251-7,27137-20-8,Disodium benzenedisulphonate,"disodium benzene-1,2-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1S(=O)(=O)[O-],"InChI=1/C6H6O6S2.2Na/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2",C6H6O6S2.2Na,,,,,,SRWAMKHZLDKAHZ-UHFFFAOYSA-L,,,,,,,,,,,
100.043.866,248-269-5,27153-53-3,"2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane","2-methoxy-1,3,3-trimethylbicyclo[2.2.1]heptane",COC1C(C)(C)C2CCC1(C)C2,COC1C(C)(C)C2CCC1(C)C2,"InChI=1/C11H20O/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9H,5-7H2,1-4H3",C11H20O,,,,,,LNAQSWUSQQVQME-UHFFFAOYSA-N,,,,,,,,,,,
100.045.381,249-935-8,29896-45-5,"Hexyl-1,1-dimethoxy-3-phenylprop-2-ene","1-(3,3-dimethoxyprop-1-en-1-yl)-4-hexylbenzene",CCCCCCc1ccc(C=CC(OC)OC)cc1,CCCCCCc1ccc(C=CC(OC)OC)cc1,"InChI=1/C17H26O2/c1-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17(18-2)19-3/h9-14,17H,4-8H2,1-3H3",C17H26O2,,,,,,JOGSEXPLVUGVOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.384,249-938-4,29898-32-6,"2,4-dichloro-1-iodobenzene","2,4-dichloro-1-iodobenzene",Clc1ccc(I)c(Cl)c1,Clc1ccc(I)c(Cl)c1,InChI=1/C6H3Cl2I/c7-4-1-2-6(9)5(8)3-4/h1-3H,C6H3Cl2I,,,,,,ZQKJCBDCOGLKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.390,249-945-2,29904-98-1,"Benzothiazole-2(3H)-thione, cobalt (2+) salt",-,[Co+2].S=C1Nc2ccccc2S1,[Co+2].S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.Co/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+2",C7H5NS2.1/2Co,,,,,,YKYURZAXUGVRLL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.394,249-949-4,29911-27-1,1-(1-methyl-2-propoxyethoxy)propan-2-ol,1-(1-methyl-2-propoxyethoxy)propan-2-ol,CCCOCC(C)OCC(C)O,CCCOCC(C)OCC(C)O,"InChI=1/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3",C9H20O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5828,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.394,WEZPLQKRXDBPEP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.610,244-687-7,21964-49-8,"Tetradeca-1,13-diene","tetradeca-1,13-diene",C=CCCCCCCCCCCC=C,C=CCCCCCCCCCCC=C,"InChI=1/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2",C14H26,,,,,,XMRSTLBCBDIKFI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.619,244-697-1,21988-87-4,"2,4,6-tris(bromomethyl)mesitylene","1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene",Cc1c(CBr)c(C)c(CBr)c(C)c1CBr,Cc1c(CBr)c(C)c(CBr)c(C)c1CBr,"InChI=1/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3",C12H15Br3,,,,,,BHIFXIATEXVOQA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.622,244-700-6,21995-30-2,Ammonium europium(3+) disulphate,ammonium europium(3+) disulphate,[NH4+].[Eu+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Eu+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Eu.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",Eu.H3N.2H2O4S,,,,,,ARQAHSUAYIMCHD-UHFFFAOYSA-K,,,,,,,,,,,
100.042.255,246-496-4,24854-43-1,"2,4-dimethyl-4-methyl-3H-1,2,4-triazole-3-thione","4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione",CN1C=NNC1=S,CN1C=NNC1=S,"InChI=1/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)",C3H5N3S,,,,,,AGWWTUWTOBEQFE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.256,246-498-5,24854-67-9,"2,2'-hexane-1,6-diylbisoxirane","2,2'-hexane-1,6-diyldioxirane",C(CCCC1CO1)CCC2CO2,C(CCCC1CO1)CCC2CO2,"InChI=1/C10H18O2/c1(3-5-9-7-11-9)2-4-6-10-8-12-10/h9-10H,1-8H2",C10H18O2,,,,,,CFHWRTNORXTUDE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.447,219-190-3,2382-80-1,Ethyl N-acetyl-L-tryptophanate,ethyl N-acetyl-L-tryptophanate,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C,"InChI=1/C15H18N2O3/c1-3-20-15(19)14(17-10(2)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9,14,16H,3,8H2,1-2H3,(H,17,18)",C15H18N2O3,,,,,,KQGQONPKSKUHHT-AWEZNQCLSA-N,,,,,,,,,,,
100.017.449,219-192-4,2385-74-2,"(-)-2,3-dimethylbutane-1,2,3-tricarboxylic acid","2,3-dimethylbutane-1,2,3-tricarboxylic acid",CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O,CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O,"InChI=1/C9H14O6/c1-8(2,6(12)13)9(3,7(14)15)4-5(10)11/h4H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)",C9H14O6,,,,,,MJCJFUJXVGIUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.021.457,223-601-1,3973-18-0,2-(prop-2-ynyloxy)ethanol,2-(prop-2-yn-1-yloxy)ethanol,OCCOCC#C,OCCOCC#C,"InChI=1/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2",C5H8O2,,,,,,GHGCQQRMJCSIBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.464,223-609-5,2/11/3976,(dimethylamino)acetonitrile monohydrochloride,(dimethylamino)acetonitrile hydrochloride,Cl.CN(C)CC#N,Cl.CN(C)CC#N,"InChI=1/C4H8N2.ClH/c1-6(2)4-3-5;/h4H2,1-2H3;1H",C4H8N2.ClH,,,,,,PXFIAYNRKNWKLV-UHFFFAOYSA-N,,,,,,,,,,,
100.021.466,223-611-6,3977-23-9,"2-amino-5,6-dimethyl-1H-pyrimidin-4-one","2-amino-5,6-dimethylpyrimidin-4(1H)-one",CC1=C(C)C(=O)N=C(N)N1,CC1=C(C)C(=O)N=C(N)N1,"InChI=1/C6H9N3O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)",C6H9N3O,,,,,,APWRLAZEMYLHKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.471,223-616-3,3979-51-9,Propan-2-[2H]ol,propan-2-ol,CC(C)O,CC(C)O,"InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3",C3H7DO,,,,,,KFZMGEQAYNKOFK-UHFFFAOYSA-N,,,,,,,,,,,
100.021.480,223-626-8,3984-22-3,"2-vinyl-1,3-dioxolane","2-vinyl-1,3-dioxolane",C=CC1OCCO1,C=CC1OCCO1,"InChI=1/C5H8O2/c1-2-5-6-3-4-7-5/h2,5H,1,3-4H2",C5H8O2,,,,,,KKBHSBATGOQADJ-UHFFFAOYSA-N,,,,,,,,,,,
100.021.490,223-637-8,3991-61-5,o-phenoxytoluene,1-methyl-2-phenoxybenzene,Cc1ccccc1Oc2ccccc2,Cc1ccccc1Oc2ccccc2,"InChI=1/C13H12O/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10H,1H3",C13H12O,,,,,,WCOYPFBMFKXWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.021.499,223-647-2,4000-16-2,Triaminoguanidine mononitrate,triazane-2-carbohydrazonamide nitrate,N\\N=C(/N)\\N(N)N.O[N+](=O)[O-],N\N=C(/N)\N(N)N.O[N+](=O)[O-],"InChI=1/CH8N6.HNO3/c2-1(6-3)7(4)5;2-1(3)4/h3-5H2,(H2,2,6);(H,2,3,4)",CH8N6.HNO3,,,,,,XLXWQTRKKYVWBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.017.001,218-700-1,2216-87-7,Undecan-3-one,undecan-3-one,CCCCCCCCC(=O)CC,CCCCCCCCC(=O)CC,"InChI=1/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3",C11H22O,,,,,,YNMZZHPSYMOGCI-UHFFFAOYSA-N,,,,,,,,,,,
100.017.003,218-702-2,2216-92-4,Ethyl N-phenylglycinate,ethyl N-phenylglycinate,CCOC(=O)CNc1ccccc1,CCOC(=O)CNc1ccccc1,"InChI=1/C10H13NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3",C10H13NO2,,,,,,MLSGRWDEDYJNER-UHFFFAOYSA-N,,,,,,,,,,,
100.020.380,222-416-3,3464-60-6,"Cholesta-1,4,6-trien-3-one","cholesta-1,4,6-trien-3-one",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,13,15,17-19,22-25H,6-8,11-12,14,16H2,1-5H3",C27H40O,,,,,,NIJCHQWGAFQPFT-GYKMGIIDSA-N,,,,,,,,,,,
100.020.382,222-418-4,3465-77-8,"1,1,3,3-tetrabutyl-1,3-bis[(1-oxooctadecyl)oxy]distannoxane","1,1,3,3-tetrabutyl-1,3-bis(stearoyloxy)distannoxane",CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/2C18H36O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*2-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC52H106O5Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51(53)55-58(47-15-9-3,48-16-10-4)57-59(49-17-11-5,50-18-12-6)56-52(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-14-8-2/h7-50H2,1-6H3",C52H106O5Sn2,,,,,,DBJRAYLKQXBRPP-UHFFFAOYSA-L,,,,,,,,,,,
100.020.383,222-420-5,3466-00-0,Phospholane,phospholane,C1CCPC1,C1CCPC1,"InChI=1/C4H9P/c1-2-4-5-3-1/h5H,1-4H2",C4H9P,,,,,,GWLJTAJEHRYMCA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.394,222-432-0,3469-20-3,"2,3-diphenyl-1H-indole","2,3-diphenyl-1H-indole",c1ccc(cc1)c2[nH]c3ccccc3c2c4ccccc4,c1ccc(cc1)c2[nH]c3ccccc3c2c4ccccc4,"InChI=1/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H",C20H15N,,,,,,GYGKJNGSQQORRG-UHFFFAOYSA-N,,,,,,,,,,,
100.020.413,222-453-5,3478-15-7,Etipirium iodide,1-{2-[2-hydroxy(diphenyl)acetoxy]ethyl}-1-methylpyrrolidinium iodide,[I-].C[N+]1(CCOC(=O)C(O)(c2ccccc2)c3ccccc3)CCCC1,[I-].C[N+]1(CCOC(=O)C(O)(c2ccccc2)c3ccccc3)CCCC1,"InChI=1/C21H26NO3.HI/c1-22(14-8-9-15-22)16-17-25-20(23)21(24,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,24H,8-9,14-17H2,1H3;1H/q+1;/p-1",C21H26NO3.I,,,,,,PCLIRWBVOVZTOK-UHFFFAOYSA-M,,,,,,,,,,,
100.040.923,245-032-8,22487-78-1,Cerium(3+) octanoate,cerium(3+) trioctanoate,[Ce+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Ce+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/3C8H16O2.Ce/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Ce,,,,,,ZZDXWFSIHDBOLS-UHFFFAOYSA-K,,,,,,,,,,,
100.040.924,245-033-3,22488-23-9,"Exo-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-m-cresol","5-methyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",Cc1ccc(C2CC3CCC2(C)C3(C)C)c(O)c1,Cc1ccc(C2CC3CCC2(C)C3(C)C)c(O)c1,"InChI=1/C17H24O/c1-11-5-6-13(15(18)9-11)14-10-12-7-8-17(14,4)16(12,2)3/h5-6,9,12,14,18H,7-8,10H2,1-4H3",C17H24O,,,,,,NYYGACIUGBJQHR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.925,245-034-9,22494-42-4,Diflunisal,"2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid",OC(=O)c1cc(ccc1O)c2ccc(F)cc2F,OC(=O)c1cc(ccc1O)c2ccc(F)cc2F,"InChI=1/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)",C13H8F2O3,,,,,,HUPFGZXOMWLGNK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.926,245-035-4,22494-47-9,Clobuzarit,2-[(4'-chlorobiphenyl-4-yl)methoxy]-2-methylpropanoic acid,CC(C)(OCc1ccc(cc1)c2ccc(Cl)cc2)C(=O)O,CC(C)(OCc1ccc(cc1)c2ccc(Cl)cc2)C(=O)O,"InChI=1/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)",C17H17ClO3,,,,,,UGOFYAXVVVXMQT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.851,248-252-2,27137-33-3,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenol","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-ol",OC1C=CC2C3CCC(C3)C12,OC1C=CC2C3CCC(C3)C12,"InChI=1/C10H14O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h3-4,6-11H,1-2,5H2",C10H14O,,,,,,HRWRJUVJOLBMST-UHFFFAOYSA-N,,,,,,,,,,,
100.043.852,248-253-8,27137-41-3,Methylfuran,2-methylfuran,Cc1occc1,Cc1occc1,"InChI=1/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",C5H6O,,,,,,VQKFNUFAXTZWDK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.856,248-258-5,27138-31-4,Oxydipropyl dibenzoate,"oxydipropane-1,1-diyl dibenzoate",CCC(OC(CC)OC(=O)c1ccccc1)OC(=O)c2ccccc2,CCC(OC(CC)OC(=O)c1ccccc1)OC(=O)c2ccccc2,"InChI=1/C20H22O5/c1-3-17(24-19(21)15-11-7-5-8-12-15)23-18(4-2)25-20(22)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3",C20H22O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13387,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.856,IZYMYJNSFZHDAX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.861,248-263-2,27149-59-3,Methyl 2-cyano-3-(4-methoxyphenyl)-2-butenoate,methyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate,COc1ccc(cc1)C(C)=C(C#N)C(=O)OC,COc1ccc(cc1)C(C)=C(C#N)C(=O)OC,"InChI=1/C13H13NO3/c1-9(12(8-14)13(15)17-3)10-4-6-11(16-2)7-5-10/h4-7H,1-3H3",C13H13NO3,,,,,,WGGBUPQMVJZVIO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.862,248-264-8,27151-08-2,2-(phenylimino)oxazolidine-3-ethanol,"2-[2-(phenylimino)-1,3-oxazolidin-3-yl]ethanol",OCCN2CCOC2=Nc1ccccc1,OCCN2CCOC2=Nc1ccccc1,"InChI=1/C11H14N2O2/c14-8-6-13-7-9-15-11(13)12-10-4-2-1-3-5-10/h1-5,14H,6-9H2",C11H14N2O2,,,,,,FSRIRISNMXWUNL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.863,248-265-3,27151-57-1,N-(4-methoxyphenyl)-N-methyl-p-anisidine,4-methoxy-N-(4-methoxyphenyl)-N-methylaniline,COc1ccc(cc1)N(C)c2ccc(OC)cc2,COc1ccc(cc1)N(C)c2ccc(OC)cc2,"InChI=1/C15H17NO2/c1-16(12-4-8-14(17-2)9-5-12)13-6-10-15(18-3)11-7-13/h4-11H,1-3H3",C15H17NO2,,,,,,JBSYDIKKOAPATG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.871,248-274-2,27159-32-6,1-(benzylamino)propan-2-ol,1-(benzylamino)propan-2-ol,CC(O)CNCc1ccccc1,CC(O)CNCc1ccccc1,"InChI=1/C10H15NO/c1-9(12)7-11-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",C10H15NO,,,,,,IVPPRWDCTCLFSP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.377,249-931-6,29887-08-9,"1,4-bis[(2-ethylhexyl)amino]anthraquinone","1,4-bis[(2-ethylhexyl)amino]-9,10-anthraquinone",CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2C(=O)c3ccccc3C(=O)c12,CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C30H42N2O2/c1-5-9-13-21(7-3)19-31-25-17-18-26(32-20-22(8-4)14-10-6-2)28-27(25)29(33)23-15-11-12-16-24(23)30(28)34/h11-12,15-18,21-22,31-32H,5-10,13-14,19-20H2,1-4H3",C30H42N2O2,,,,,,ULYAQFDBACQQGC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.385,249-940-5,29899-95-4,Clobenoside,"ethyl 5,6-bis-O-(4-chlorobenzyl)-3-O-propyl-D-ribo-hexofuranoside",CCCO[C@@H]1[C@@H](O)C(OCC)O[C@@H]1C(COCc2ccc(Cl)cc2)OCc3ccc(Cl)cc3,CCCO[C@@H]1[C@@H](O)C(OCC)O[C@@H]1C(COCc2ccc(Cl)cc2)OCc3ccc(Cl)cc3,"InChI=1/C25H32Cl2O6/c1-3-13-31-24-22(28)25(30-4-2)33-23(24)21(32-15-18-7-11-20(27)12-8-18)16-29-14-17-5-9-19(26)10-6-17/h5-12,21-25,28H,3-4,13-16H2,1-2H3",C25H32Cl2O6,,,,,,UOYOWSGCMGEQHC-BOWDEYSNSA-N,,,,,,,,,,,
100.045.392,249-947-3,29909-09-9,"(3-hydroxy-2,2-dimethoxy)propyl dihydrogen phosphate","3-hydroxy-2,2-dimethoxypropyl dihydrogen phosphate",COC(CO)(COP(=O)(O)O)OC,COC(CO)(COP(=O)(O)O)OC,"InChI=1/C5H13O7P/c1-10-5(3-6,11-2)4-12-13(7,8)9/h6H,3-4H2,1-2H3,(H2,7,8,9)",C5H13O7P,,,,,,SKLZXNDXYBQVOE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.393,249-948-9,29909-60-2,Bismuth tribenzoate,bismuth(3+) tribenzoate,[BiH3+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,[BiH3+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,"InChI=1/3C7H6O2.Bi.3H/c3*8-7(9)6-4-2-1-3-5-6;;;;/h3*1-5H,(H,8,9);;;;/q;;;+3;;;/p-3/r3C7H6O2.BiH3/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);1H3/q;;;+3/p-3",C7H6O2.1/3Bi,,,,,,UKTVRIQTIUYEPY-UHFFFAOYSA-K,,,,,,,,,,,
100.043.563,247-935-2,26720-13-8,Ditridecyl glutarate,ditridecyl glutarate,CCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCC,"InChI=1/C31H60O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-25-27-31(33)35-29-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3",C31H60O4,,,,,,FVBSDVQDRFRKRF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.570,247-943-6,26723-02-4,Potassium 2-(4-chlorophenoxy)-2-methylpropionate,potassium 2-(4-chlorophenoxy)-2-methylpropanoate,[K+].CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],[K+].CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],"InChI=1/C10H11ClO3.K/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;/h3-6H,1-2H3,(H,12,13);/q;+1/p-1",C10H11ClO3.K,,,,,,QFJIKRKDNWYOEL-UHFFFAOYSA-M,,,,,,,,,,,
100.043.574,247-947-8,26730-92-7,Hexamethylene distearate,"hexane-1,6-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H82O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41(43)45-39-35-31-32-36-40-46-42(44)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",C42H82O4,,,,,,TWXPKKOLCJDQBY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.576,247-949-9,26738-80-7,Octyloxostannane,octyl(oxo)stannane,CCCCCCCC[Sn]=O,CCCCCCCC[Sn]=O,"InChI=1/C8H17.O.Sn/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;;/q;;+1/rC8H17OSn/c1-2-3-4-5-6-7-8-10-9/h2-8H2,1H3/q+1",C8H18OSn,,,,,,KGHLYBKDIPRXHA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.579,247-953-0,26747-90-0,"2,4-dioxo-1,3-diazetidine-1,3-bis(methyl-m-phenylene) diisocyanate","1,3-bis(3-isocyanato-4-methylphenyl)-1,3-diazetidine-2,4-dione",Cc1ccc(cc1N=C=O)N2C(=O)N(C2=O)c3ccc(C)c(c3)N=C=O,Cc1ccc(cc1N=C=O)N2C(=O)N(C2=O)c3ccc(C)c(c3)N=C=O,"InChI=1/C18H12N4O4/c1-11-3-5-13(7-15(11)19-9-23)21-17(25)22(18(21)26)14-6-4-12(2)16(8-14)20-10-24/h3-8H,1-2H3",C18H12N4O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18667,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.579,LOCPTSFJZDIICR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.154,247-486-2,26159-34-2,Sodium (-)-2-(6-methoxy-2-naphthyl)propionate,sodium 2-(6-methoxy-2-naphthyl)propanoate,[Na+].COc1ccc2cc(ccc2c1)C(C)C(=O)[O-],[Na+].COc1ccc2cc(ccc2c1)C(C)C(=O)[O-],"InChI=1/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1",C14H14O3.Na,,,,,,CDBRNDSHEYLDJV-UHFFFAOYSA-M,,,,,,,,,,,
100.043.160,247-493-0,26165-45-7,Pyrrolidine-1-propiononitrile,3-pyrrolidin-1-ylpropanenitrile,N#CCCN1CCCC1,N#CCCN1CCCC1,"InChI=1/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-3,5-7H2",C7H12N2,,,,,,PDVYZQGNSCSKPG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.187,247-522-7,26218-12-2,2-hydrazino-5-sulphobenzoic acid,2-hydrazino-5-sulfobenzoic acid,NNc1ccc(cc1C(=O)O)S(=O)(=O)O,NNc1ccc(cc1C(=O)O)S(=O)(=O)O,"InChI=1/C7H8N2O5S/c8-9-6-2-1-4(15(12,13)14)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)(H,12,13,14)",C7H8N2O5S,,,,,,OGBHOBCGEADUOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.192,247-527-4,26227-73-6,N-(4'-methoxybenzylidene)-4-butylaniline,4-butyl-N-(4-methoxybenzylidene)aniline,CCCCc1ccc(cc1)\\N=C\\c2ccc(OC)cc2,CCCCc1ccc(cc1)\N=C\c2ccc(OC)cc2,"InChI=1/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3",C18H21NO,,,,,,FEIWNULTQYHCDN-XMHGGMMESA-N,,,,,,,,,,,
100.043.194,247-530-0,26239-55-4,N-carbamoylmethyliminodi(acetic acid),"2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid",NC(=O)CN(CC(=O)O)CC(=O)O,NC(=O)CN(CC(=O)O)CC(=O)O,"InChI=1/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)",C6H10N2O5,,,,,,QZTKDVCDBIDYMD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.198,247-534-2,26244-73-5,"3,4-dihydro-7-methyl-1,4-oxazepin-5(2H)-one","7-methyl-3,4-dihydro-1,4-oxazepin-5(2H)-one",CC1=CC(=O)NCCO1,CC1=CC(=O)NCCO1,"InChI=1/C6H9NO2/c1-5-4-6(8)7-2-3-9-5/h4H,2-3H2,1H3,(H,7,8)",C6H9NO2,,,,,,LQOSMNPESNBCQK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.910,243-917-3,20609-07-8,2-propylpyridine 1-oxide,2-propylpyridine 1-oxide,CCCc1cccc[n+]1[O-],CCCc1cccc[n+]1[O-],"InChI=1/C8H11NO/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3",C8H11NO,,,,,,AEMUJNMHHWNVSA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.924,243-933-0,20637-09-6,Methyl 4-(4-aminophenyl)butyrate,methyl 4-(4-aminophenyl)butanoate,COC(=O)CCCc1ccc(N)cc1,COC(=O)CCCc1ccc(N)cc1,"InChI=1/C11H15NO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3",C11H15NO2,,,,,,CLKHQWJXESOLCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.930,243-939-3,20651-69-8,Methyl 4-butylbenzoate,methyl 4-butylbenzoate,CCCCc1ccc(cc1)C(=O)OC,CCCCc1ccc(cc1)C(=O)OC,"InChI=1/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3",C12H16O2,,,,,,XJRYQLPELPLPHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.950,243-961-3,20677-77-4,"2-fluoro-2,2-dinitroethyl carbonate(2:1)","bis(2-fluoro-2,2-dinitroethyl) carbonate",[O-][N+](=O)C(F)(COC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C(F)(COC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C5H4F2N4O11/c6-4(8(13)14,9(15)16)1-21-3(12)22-2-5(7,10(17)18)11(19)20/h1-2H2",C5H4F2N4O11,,,,,,BPMXMXFLNKOZJI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.954,243-966-0,20681-51-0,Methyl cyclohexanepropionate,methyl 3-cyclohexylpropanoate,COC(=O)CCC1CCCCC1,COC(=O)CCC1CCCCC1,"InChI=1/C10H18O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3",C10H18O2,,,,,,PPALFHZGSIENQB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.260,246-503-0,24857-20-3,"4-[(2,3-dichloro-4-oxocyclohexa-2,5-dien-1-yl)imino]phenyl acetate","4-[(2,3-dichloro-4-oxocyclohexa-2,5-dien-1-yl)imino]cyclohexa-2,5-dien-1-yl acetate",ClC=1C(\\C=C/C(=O)C=1Cl)\\N=C\\2/C=C\\C(OC(C)=O)/C=C/2,ClC=1C(\C=C/C(=O)C=1Cl)\N=C\2/C=C\C(OC(C)=O)/C=C/2,"InChI=1/C14H11Cl2NO3/c1-8(18)20-10-4-2-9(3-5-10)17-11-6-7-12(19)14(16)13(11)15/h2-7,10-11H,1H3",C14H9Cl2NO3,,,,,,WBOOVIVSUJMHRF-MFOYZWKCSA-N,,,,,,,,,,,
100.042.261,246-504-6,24858-54-6,4-(2-hydroxyethyl(methyl)amino)benzenediazonium zinc chloride,-,[Cl-].[Zn+2].CN(CCO)c1ccc(cc1)[N+]#N,[Cl-].[Zn+2].CN(CCO)c1ccc(cc1)[N+]#N,"InChI=1/C9H12N3O.ClH.Zn/c1-12(6-7-13)9-4-2-8(11-10)3-5-9;;/h2-5,13H,6-7H2,1H3;1H;/q+1;;+2/p-1",C9H12N3O.xCl2Zn.Cl,,,,,,VKDZABTTZIVFTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.268,246-511-4,24880-48-6,(Z)-hexadec-7-en-1-ol,hexadec-7-en-1-ol,CCCCCCCC\\C=C/CCCCCCO,CCCCCCCC\C=C/CCCCCCO,"InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,17H,2-8,11-16H2,1H3",C16H32O,,,,,,KKGMASVOOYPIGJ-KTKRTIGZSA-N,,,,,,,,,,,
100.044.178,248-612-9,27693-42-1,"3,4-dimethoxyphenyl 2-pyridyl ketone","(3,4-dimethoxyphenyl)(pyridin-2-yl)methanone",COc1ccc(cc1OC)C(=O)c2ccccn2,COc1ccc(cc1OC)C(=O)c2ccccn2,"InChI=1/C14H13NO3/c1-17-12-7-6-10(9-13(12)18-2)14(16)11-5-3-4-8-15-11/h3-9H,1-2H3",C14H13NO3,,,,,,CUTYZBYXXYWWHB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.181,248-616-0,27697-00-3,2-[2-(methacryloyloxy)ethoxycarbonyl]benzoic acid,2-{[2-(methacryloyloxy)ethoxy]carbonyl}benzoic acid,CC(=C)C(=O)OCCOC(=O)c1ccccc1C(=O)O,CC(=C)C(=O)OCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)",C14H14O6,,,,,,FIQBJLHOPOSODG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.185,248-620-2,27711-76-8,"4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonic acid","2-[(4-amino-3-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzenesulfonic acid",Cc1ccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)O,Cc1ccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)O,"InChI=1/C22H18N2O5S/c1-11-7-8-15(17(9-11)30(27,28)29)24-16-10-12(2)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)",C22H18N2O5S,,,,,,NPTFPGVUCJVNBW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.191,248-627-0,27737-55-9,Ethyl 4-(phenylmethoxy)-1H-indole-2-carboxylate,ethyl 4-(benzyloxy)-1H-indole-2-carboxylate,CCOC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1,CCOC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1,"InChI=1/C18H17NO3/c1-2-21-18(20)16-11-14-15(19-16)9-6-10-17(14)22-12-13-7-4-3-5-8-13/h3-11,19H,2,12H2,1H3",C18H17NO3,,,,,,HIQPISGKBJHKIN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.204,248-641-7,27761-19-9,(mercaptoethyl)ammonium hydrogen tartrate,1-sulfanylethanaminium hydrogen tartarate,CC([NH3+])S.OC(C(O)C(=O)[O-])C(=O)[O-],CC([NH3+])S.OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.C2H7NS/c5-1(3(7)8)2(6)4(9)10;1-2(3)4/h1-2,5-6H,(H,7,8)(H,9,10);2,4H,3H2,1H3/p-1",C4H6O6.C2H7NS,,,,,,SOKNQSODLHCBAG-UHFFFAOYSA-M,,,,,,,,,,,
100.044.210,248-648-5,27766-47-8,"2,5-dimethoxy-4-[(4-nitrophenyl)azo]benzenediazonium","2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]benzenediazonium",COc2cc([N+]#N)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)OC,COc2cc([N+]#N)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)OC,"InChI=1/C14H12N5O4/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21/h3-8H,1-2H3/q+1",C14H12N5O4,,,,,,AXQTUUPVMIBBKV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.218,248-656-9,27778-30-9,"2-[7-(diethylamino)-2-imino-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazole trichlorozincate",-,CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4N3C)C(=N)Oc2c1.Cl[Zn-](Cl)Cl,CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4N3C)C(=N)Oc2c1.Cl[Zn-](Cl)Cl,"InChI=1/C22H26N4O.3ClH.Zn/c1-5-26(6-2)16-12-11-15-13-17(21(23)27-20(15)14-16)22-24(3)18-9-7-8-10-19(18)25(22)4;;;;/h7-14,22-23H,5-6H2,1-4H3;3*1H;/q;;;;+2/p-3/rC22H26N4O.Cl3Zn/c1-5-26(6-2)16-12-11-15-13-17(21(23)27-20(15)14-16)22-24(3)18-9-7-8-10-19(18)25(22)4;1-4(2)3/h7-14,22-23H,5-6H2,1-4H3;/q;-1",C22H25N4O.Cl3Zn,,,,,,NRUOVXGSRRDJLV-UHFFFAOYSA-K,,,,,,,,,,,
100.040.927,245-037-5,22497-09-2,1-bicyclo[2.2.1]hept-5-en-2-yl-1-methylethyl acetate,1-bicyclo[2.2.1]hept-5-en-2-yl-1-methylethyl acetate,CC(=O)OC(C)(C)C1CC2CC1C=C2,CC(=O)OC(C)(C)C1CC2CC1C=C2,"InChI=1/C12H18O2/c1-8(13)14-12(2,3)11-7-9-4-5-10(11)6-9/h4-5,9-11H,6-7H2,1-3H3",C12H18O2,,,,,,ZFKZNKMNPKUCKM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.932,245-042-2,22501-98-0,Sodium carbamoylhydroxysulphamate,sodium carbamoyl(hydroxy)sulfamate,[Na+].NC(=O)N(O)S(=O)(=O)[O-],[Na+].NC(=O)N(O)S(=O)(=O)[O-],"InChI=1/CH4N2O5S.Na/c2-1(4)3(5)9(6,7)8;/h5H,(H2,2,4)(H,6,7,8);/q;+1/p-1",CH4N2O5S.Na,,,,,,BMICMFSHEIXROQ-UHFFFAOYSA-M,,,,,,,,,,,
100.040.933,245-043-8,22502-03-0,2-methoxyethyl acetoacetate,2-methoxyethyl 3-oxobutanoate,COCCOC(=O)CC(=O)C,COCCOC(=O)CC(=O)C,"InChI=1/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3",C7H12O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10800,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.933,PLHCSZRZWOWUBW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.934,245-044-3,22504-50-3,Ethylene bis(3-mercaptopropionate),"ethane-1,2-diyl bis(3-sulfanylpropanoate)",SCCC(=O)OCCOC(=O)CCS,SCCC(=O)OCCOC(=O)CCS,"InChI=1/C8H14O4S2/c9-7(1-5-13)11-3-4-12-8(10)2-6-14/h13-14H,1-6H2",C8H14O4S2,,,,,,HAQZWTGSNCDKTK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.414,222-454-0,3478-44-2,Sodium 2-[3-(hexyloxy)-2-hydroxypropoxy]benzoate,sodium 2-[3-(hexyloxy)-2-hydroxypropoxy]benzoate,[Na+].CCCCCCOCC(O)COc1ccccc1C(=O)[O-],[Na+].CCCCCCOCC(O)COc1ccccc1C(=O)[O-],"InChI=1/C16H24O5.Na/c1-2-3-4-7-10-20-11-13(17)12-21-15-9-6-5-8-14(15)16(18)19;/h5-6,8-9,13,17H,2-4,7,10-12H2,1H3,(H,18,19);/q;+1/p-1",C16H24O5.Na,,,,,,AHUAWUAHWZIPJC-UHFFFAOYSA-M,,,,,,,,,,,
100.020.416,222-456-1,3479-47-8,4-benzyl hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate,4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (non-preferred name),OC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C19H19NO6/c21-17(25-12-14-7-3-1-4-8-14)11-16(18(22)23)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,22,23)",C19H19NO6,,,,,,VUKCNAATVIWRTF-INIZCTEOSA-N,,,,,,,,,,,
100.020.417,222-457-7,3479-85-4,"2,5-dibromoadipic acid","2,5-dibromohexanedioic acid",OC(=O)C(Br)CCC(Br)C(=O)O,OC(=O)C(Br)CCC(Br)C(=O)O,"InChI=1/C6H8Br2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)",C6H8Br2O4,,,,,,KABAKEOYQZKPBA-UHFFFAOYSA-N,,,,,,,,,,,
100.020.419,222-459-8,2/09/3481,N-chlorophthalimide,"2-chloro-1H-isoindole-1,3(2H)-dione",ClN1C(=O)c2ccccc2C1=O,ClN1C(=O)c2ccccc2C1=O,InChI=1/C8H4ClNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,C8H4ClNO2,,,,,,WDRFYIPWHMGQPN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.422,222-462-4,3481-84-3,"(20R)-18,20-epoxy-N,N-dimethyl-5a-pregnan-3ß-amine","N,N-dimethyl-18,20-epoxypregnan-3-amine",C[C@H]1OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](CC[C@]45C)N(C)C)[C@@H]2CC[C@H]13,C[C@H]1OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](CC[C@]45C)N(C)C)[C@@H]2CC[C@H]13,"InChI=1/C23H39NO/c1-15-19-7-8-21-18-6-5-16-13-17(24(3)4)9-11-22(16,2)20(18)10-12-23(19,21)14-25-15/h15-21H,5-14H2,1-4H3",C23H39NO,,,,,,GLSMSQKWWVUERQ-SVSIOWIPSA-N,,,,,,,,,,,
100.020.423,222-464-5,3482-37-9,"(S)-7-amino-6,7-dihydro-10-hydroxy-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one","7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one",COc1cc2CC[C@H](N)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)O,COc1cc2CC[C@H](N)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)O,"InChI=1/C19H21NO5/c1-23-16-8-10-4-6-13(20)12-9-15(22)14(21)7-5-11(12)17(10)19(25-3)18(16)24-2/h5,7-9,13H,4,6,20H2,1-3H3,(H,21,22)",C19H21NO5,,,,,,IRVWPZRYDQROLU-ZDUSSCGKSA-N,,,,,,,,,,,
100.018.474,220-321-1,2719-23-5,N-thiazol-2-ylacetamide,"N-1,3-thiazol-2-ylacetamide",CC(=O)Nc1nccs1,CC(=O)Nc1nccs1,"InChI=1/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)",C5H6N2OS,,,,,,WXPLRSVMGRAIGW-UHFFFAOYSA-N,,,,,,,,,,,
100.018.482,220-330-0,2720-75-4,Potassium 2-methylbutyl dithiocarbonate,potassium S-(2-methylbutyl) dithiocarbonate,[K+].CCC(C)CSC(=O)[S-],[K+].CCC(C)CSC(=O)[S-],"InChI=1/C6H12OS2.K/c1-3-5(2)4-9-6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1",C6H12OS2.K,,,,,,FSBUEWHXNJJAML-UHFFFAOYSA-M,,,,,,,,,,,
100.018.484,220-332-1,2720-78-7,Potassium O-heptyl dithiocarbonate,potassium O-heptyl dithiocarbonate,[K+].CCCCCCCOC(=S)[S-],[K+].CCCCCCCOC(=S)[S-],"InChI=1/C8H16OS2.K/c1-2-3-4-5-6-7-9-8(10)11;/h2-7H2,1H3,(H,10,11);/q;+1/p-1",C8H16OS2.K,,,,,,UONHJSWTEBJXNB-UHFFFAOYSA-M,,,,,,,,,,,
100.018.490,220-338-4,2724-68-7,"3ß-hydroxy-5a-pregn-16-ene-11,20-dione 3-acetate","11,20-dioxopregn-16-en-3-yl acetate",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(=O)C)[C@@]4(C)CC(=O)[C@H]23)C1,CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(=O)C)[C@@]4(C)CC(=O)[C@H]23)C1,"InChI=1/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3",C23H32O4,,,,,,JAZBMNIJZWDVQJ-BLDHYFSKSA-N,,,,,,,,,,,
100.018.491,220-340-5,2725-68-0,Tetrachloromethylphosphorane,tetrachloro(methyl)phosphorane,CP(Cl)(Cl)(Cl)Cl,CP(Cl)(Cl)(Cl)Cl,"InChI=1/CH3Cl4P/c1-6(2,3,4)5/h1H3",CH3Cl4P,,,,,,JZUOAIYGQIGERU-UHFFFAOYSA-N,,,,,,,,,,,
100.018.493,220-342-6,2726-73-0,"Octadecane-1,12-diol","octadecane-1,12-diol",CCCCCCC(O)CCCCCCCCCCCO,CCCCCCC(O)CCCCCCCCCCCO,"InChI=1/C18H38O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h18-20H,2-17H2,1H3",C18H38O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17479,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.493,KHLCTMQBMINUNT-UHFFFAOYSA-N,,,,,,,,,,,
100.018.495,220-344-7,2729-28-4,"1,1-dichloro-1,2,2,3,3,3-hexafluoropropane","1,1-dichloro-1,2,2,3,3,3-hexafluoropropane",FC(F)(F)C(F)(F)C(F)(Cl)Cl,FC(F)(F)C(F)(F)C(F)(Cl)Cl,"InChI=1/C3Cl2F6/c4-2(5,8)1(6,7)3(9,10)11",C3Cl2F6,,,,,,FMKLGBFKHKIUKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.496,220-345-2,2729-34-2,"3,5-dichloro-4-fluoroaniline","3,5-dichloro-4-fluoroaniline",Nc1cc(Cl)c(F)c(Cl)c1,Nc1cc(Cl)c(F)c(Cl)c1,"InChI=1/C6H4Cl2FN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2",C6H4Cl2FN,,,,,,NKTZSKQMAITPBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.498,220-347-3,8/06/2731,2-methyl-1H-indole-3-ethylamine,2-(2-methyl-1H-indol-3-yl)ethanamine,Cc1[nH]c2ccccc2c1CCN,Cc1[nH]c2ccccc2c1CCN,"InChI=1/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3",C11H14N2,,,,,,CPVSLHQIPGTMLH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.000,221-999-1,1/08/3312,"1,1'-(4-chlorobutylidene)bisbenzene","1,1'-(4-chlorobutane-1,1-diyl)dibenzene",ClCCCC(c1ccccc1)c2ccccc2,ClCCCC(c1ccccc1)c2ccccc2,"InChI=1/C16H17Cl/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2",C16H17Cl,,,,,,JLNYNSOPLYOWFA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.604,244-680-9,21957-65-3,5-oxo-1-[(p-tolyl)sulphonyl]-L-proline,1-[(4-methylphenyl)sulfonyl]-5-oxo-L-proline,Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CCC2=O)C(=O)O,Cc1ccc(cc1)S(=O)(=O)N2[C@@H](CCC2=O)C(=O)O,"InChI=1/C12H13NO5S/c1-8-2-4-9(5-3-8)19(17,18)13-10(12(15)16)6-7-11(13)14/h2-5,10H,6-7H2,1H3,(H,15,16)",C12H13NO5S,,,,,,AIQSXWLOKKCHFH-JTQLQIEISA-N,,,,,,,,,,,
100.040.611,244-688-2,21968-17-2,N-isopropylpropylamine,N-isopropylpropan-1-amine,CCCNC(C)C,CCCNC(C)C,"InChI=1/C6H15N/c1-4-5-7-6(2)3/h6-7H,4-5H2,1-3H3",C6H15N,,,,,,VLSTXUUYLIALPB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.620,244-698-7,21988-92-1,"N,N'-[ethylenebis(oxymethylene)]bis(acrylamide)","N,N'-[ethane-1,2-diylbis(oxymethylene)]bisacrylamide",C=CC(=O)NCOCCOCNC(=O)C=C,C=CC(=O)NCOCCOCNC(=O)C=C,"InChI=1/C10H16N2O4/c1-3-9(13)11-7-15-5-6-16-8-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)",C10H16N2O4,,,,,,CFVMMKSYOQAGHO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.258,246-500-4,24856-79-9,Diammonium ethyl phosphate,diammonium ethyl phosphate,[NH4+].[NH4+].CCOP(=O)([O-])[O-],[NH4+].[NH4+].CCOP(=O)([O-])[O-],"InChI=1/C2H7O4P.2H3N/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);2*1H3",C2H7O4P.2H3N,,,,,,XRVFPYDPBSDLAD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.266,246-509-3,24871-38-3,Barium dilinoleate,"barium dioctadeca-9,12-dienoate",[Ba+2].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Ba+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.1/2Ba,,,,,,QBILLZMIGFLUPO-GRVYQHKQSA-L,,,,,,,,,,,
100.042.267,246-510-9,24871-55-4,"5-hydroxy-2-methyl-1,3-dioxane-4-carbaldehyde","5-hydroxy-2-methyl-1,3-dioxane-4-carbaldehyde",CC1OCC(O)C(O1)C=O,CC1OCC(O)C(O1)C=O,"InChI=1/C6H10O4/c1-4-9-3-5(8)6(2-7)10-4/h2,4-6,8H,3H2,1H3",C6H10O4,,,,,,HVAFLFRNUVFTBL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.271,246-515-6,24887-06-7,Zinc bis(hydroxymethanesulphinate),zinc bis(hydroxymethanesulfinate),[Zn+2].OCS(=O)[O-].OCS(=O)[O-],[Zn+2].OCS(=O)[O-].OCS(=O)[O-],"InChI=1/2CH4O3S.Zn/c2*2-1-5(3)4;/h2*2H,1H2,(H,3,4);/q;;+2/p-2",C2H6O6S2Zn,,,,,,CAAIULQYGCAMCD-UHFFFAOYSA-L,,,,,,,,,,,
100.042.272,246-516-1,24889-92-7,[(4-chlorophenyl)amino]acetonitrile,[(4-chlorophenyl)amino]acetonitrile,Clc1ccc(NCC#N)cc1,Clc1ccc(NCC#N)cc1,"InChI=1/C8H7ClN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,6H2",C8H7ClN2,,,,,,VTYDEWDXIBGHMP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.273,246-517-7,24889-95-0,[(4-methoxyphenyl)amino]acetonitrile,[(4-methoxyphenyl)amino]acetonitrile,COc1ccc(NCC#N)cc1,COc1ccc(NCC#N)cc1,"InChI=1/C9H10N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5,11H,7H2,1H3",C9H10N2O,,,,,,OWNQIZJEBGJLSW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.180,248-615-5,27695-01-8,Calcium bis(hydrogen succinate),calcium bis(3-carboxypropanoate),OC(=O)CCC(=O)O[Ca]OC(=O)CCC(=O)O,OC(=O)CCC(=O)O[Ca]OC(=O)CCC(=O)O,"InChI=1/2C4H6O4.Ca/c2*5-3(6)1-2-4(7)8;/h2*1-2H2,(H,5,6)(H,7,8);/q;;+2/p-2",C4H6O4.1/2Ca,,,,,,QIIZPUIPFGEZFO-UHFFFAOYSA-L,,,,,,,,,,,
100.044.186,248-621-8,27725-17-3,"2,2'-methylenebis[4-(1,1,3,3-tetramethylbutyl)phenol]","2,2'-methylenebis[4-(1,1,3,3-tetramethylbutyl)phenol]",CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2cc(ccc2O)C(C)(C)CC(C)(C)C)c1,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2cc(ccc2O)C(C)(C)CC(C)(C)C)c1,"InChI=1/C29H44O2/c1-26(2,3)18-28(7,8)22-11-13-24(30)20(16-22)15-21-17-23(12-14-25(21)31)29(9,10)19-27(4,5)6/h11-14,16-17,30-31H,15,18-19H2,1-10H3",C29H44O2,,,,,,NHKWEDRAPLIPAU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.188,248-623-9,27726-32-5,(pivaloyloxy)methyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,"[(2,2-dimethylpropanoyl)oxy]methyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCOC(=O)C(C)(C)C,CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCOC(=O)C(C)(C)C,"InChI=1/C14H20N2O5S/c1-7-5-22-11-8(15)10(17)16(11)9(7)12(18)20-6-21-13(19)14(2,3)4/h8,11H,5-6,15H2,1-4H3",C14H20N2O5S,,,,,,WYCUHWBZAWSQBN-KWQFWETISA-N,,,,,,,,,,,
100.044.189,248-624-4,27733-08-0,"1,8-diaminobromo-4,5-dihydroxyanthraquinone","1,8-diamino-2-bromo-4,5-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(O)cc(Br)c(N)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(O)cc(Br)c(N)c3C(=O)c12,"InChI=1/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)13(20)8-5(16)1-2-6(18)9(8)14(10)21/h1-3,18-19H,16-17H2",C14H9BrN2O4,,,,,,SBSBBPZTTALABX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.192,248-628-6,27738-46-1,"a-hydroxy-1,3-benzodioxole-5-acetic acid","1,3-benzodioxol-5-yl(hydroxy)acetic acid",OC(C(=O)O)c1ccc2OCOc2c1,OC(C(=O)O)c1ccc2OCOc2c1,"InChI=1/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)",C9H8O5,,,,,,CLUJFRCEPFNVHW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.193,248-629-1,27738-73-4,"Oleic acid, compound with ethane-1,2-diamine","octadec-9-enoic acid - ethane-1,2-diamine (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.NCCN,CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCN,"InChI=1/C18H34O2.C2H8N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H2",C18H34O2.xC2H8N2,,,,,,WODXGCGEKYXYEZ-KVVVOXFISA-N,,,,,,,,,,,
100.039.956,243-968-1,20685-78-3,"2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-, [4S-(4a,4aa,5aa,6ß,12aa)]-, mononitrate (salt)","4-(dimethylamino)-3,6,12,12a-tetrahydroxy-6-methyl-4a,5a,6,12a-tetrahydrotetracene-1,11(4H,5H)-dione",CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C=C1O)C(=O)c4ccccc4C3(C)O,CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C=C1O)C(=O)c4ccccc4C3(C)O,"InChI=1/C21H23NO6/c1-20(27)11-7-5-4-6-10(11)18(25)16-12(20)8-13-17(22(2)3)14(23)9-15(24)21(13,28)19(16)26/h4-7,9,12-13,17,23,26-28H,8H2,1-3H3",C27H33N3O8.HNO3,,,,,,QMSHUERTGDUVNN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.958,243-970-2,20686-62-8,"2-methylnaphtho[2,1-d]thiazole","2-methylnaphtho[2,1-d][1,3]thiazole",Cc1nc2ccc3ccccc3c2s1,Cc1nc2ccc3ccccc3c2s1,"InChI=1/C12H9NS/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7H,1H3",C12H9NS,,,,,,OCRIUIGNOKGMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.587,243-561-9,20173-04-0,3-(methylaminomethyl)pyridine,N-methyl-1-pyridin-3-ylmethanamine,CNCc1cccnc1,CNCc1cccnc1,"InChI=1/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3",C7H10N2,,,,,,MCSAQVGDZLPTBS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.594,243-569-2,20187-55-7,Bendazac,[(1-benzyl-1H-indazol-3-yl)oxy]acetic acid,OC(=O)COc1nn(Cc2ccccc2)c3ccccc13,OC(=O)COc1nn(Cc2ccccc2)c3ccccc13,"InChI=1/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)",C16H14N2O3,,,,,,BYFMCKSPFYVMOU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.602,243-578-1,20195-22-6,"2,4-dinitrobenzoyl chloride","2,4-dinitrobenzoyl chloride",[O-][N+](=O)c1ccc(C(=O)Cl)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(C(=O)Cl)c(c1)[N+](=O)[O-],InChI=1/C7H3ClN2O5/c8-7(11)5-2-1-4(9(12)13)3-6(5)10(14)15/h1-3H,C7H3ClN2O5,,,,,,HETVWNJEAWTHHK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.604,243-580-2,20195-94-2,"3,6-bis(dimethylamino)-10-methylacridinium chloride","3,6-bis(dimethylamino)-10-methylacridinium chloride",[Cl-].CN(C)c1ccc2cc3ccc(cc3[n+](C)c2c1)N(C)C,[Cl-].CN(C)c1ccc2cc3ccc(cc3[n+](C)c2c1)N(C)C,"InChI=1/C18H22N3.ClH/c1-19(2)15-8-6-13-10-14-7-9-16(20(3)4)12-18(14)21(5)17(13)11-15;/h6-12H,1-5H3;1H/q+1;/p-1",C18H22N3.Cl,,,,,,MZQYZETURJKXIA-UHFFFAOYSA-M,,,,,,,,,,,
100.039.610,243-587-0,20201-24-5,Ethyl 3-methyl-2-oxobutyrate,ethyl 3-methyl-2-oxobutanoate,CCOC(=O)C(=O)C(C)C,CCOC(=O)C(=O)C(C)C,"InChI=1/C7H12O3/c1-4-10-7(9)6(8)5(2)3/h5H,4H2,1-3H3",C7H12O3,,,,,,CKTYYUQUWFEUCO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.619,243-597-5,20207-36-7,2-(hexyloxy)ethyl laurate,2-(hexyloxy)ethyl laurate,CCCCCCCCCCCC(=O)OCCOCCCCCC,CCCCCCCCCCCC(=O)OCCOCCCCCC,"InChI=1/C20H40O3/c1-3-5-7-9-10-11-12-13-14-16-20(21)23-19-18-22-17-15-8-6-4-2/h3-19H2,1-2H3",C20H40O3,,,,,,CYESQOILIGXMLD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.624,243-603-6,20210-74-6,"4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl o-toluenesulphonate","4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]phenyl 2-methylbenzenesulfonate",Cc1ccccc1S(=O)(=O)Oc2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2,Cc1ccccc1S(=O)(=O)Oc2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2,"InChI=1/C27H19NO7S/c1-15-6-2-5-9-22(15)36(32,33)35-17-12-10-16(11-13-17)34-21-14-20(29)23-24(25(21)28)27(31)19-8-4-3-7-18(19)26(23)30/h2-14,29H,28H2,1H3",C27H19NO7S,,,,,,FDZLAOZRZYUOJA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.251,245-393-1,23038-61-1,Dimethyl 4-methylisophthalate,dimethyl 4-methylisophthalate,COC(=O)c1ccc(C)c(c1)C(=O)OC,COC(=O)c1ccc(C)c(c1)C(=O)OC,"InChI=1/C11H12O4/c1-7-4-5-8(10(12)14-2)6-9(7)11(13)15-3/h4-6H,1-3H3",C11H12O4,,,,,,MTDRWWFCMSDTBL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.253,245-395-2,23043-41-6,1-methylacridine,1-methylacridine,Cc1cccc2nc3ccccc3cc12,Cc1cccc2nc3ccccc3cc12,"InChI=1/C14H11N/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14/h2-9H,1H3",C14H11N,,,,,,VXGOQVMIGNMUGC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.254,245-396-8,23047-25-8,Lofepramine,"1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino}ethanone",CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4,CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4,"InChI=1/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3",C26H27ClN2O,,,,,,SAPNXPWPAUFAJU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.586,247-960-9,26750-81-2,Alibendol,5-allyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxybenzamide,COc1cc(CC=C)cc(C(=O)NCCO)c1O,COc1cc(CC=C)cc(C(=O)NCCO)c1O,"InChI=1/C13H17NO4/c1-3-4-9-7-10(13(17)14-5-6-15)12(16)11(8-9)18-2/h3,7-8,15-16H,1,4-6H2,2H3,(H,14,17)",C13H17NO4,,,,,,UMJHTFHIQDEGKB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.588,247-963-5,26755-70-4,"3,5,5-trimethylhex-2-enyl acetate","3,5,5-trimethylhex-2-en-1-yl acetate",CC(C)(C)CC(C)=CCOC(C)=O,CC(C)(C)CC(C)=CCOC(C)=O,"InChI=1/C11H20O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h6H,7-8H2,1-5H3",C11H20O2,,,,,,YMBDREVCDCFLPE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.605,247-981-3,26761-50-2,Isooctyl oleate,6-methylheptyl octadec-9-enoate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC(C)C,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC(C)C,"InChI=1/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(27)28-24-21-18-19-22-25(2)3/h11-12,25H,4-10,13-24H2,1-3H3",C26H50O2,,,,,,SAUIGQBKPDQYHL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.610,247-987-6,26762-92-5,"Menthane, monohydroperoxy derivative",4-isopropyl-1-methylcyclohexyl hydroperoxide,CC(C)C1CCC(C)(CC1)OO,CC(C)C1CCC(C)(CC1)OO,"InChI=1/C10H20O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h8-9,11H,4-7H2,1-3H3",C10H20O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10602,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.610,SGYLMBSLEMLUSN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.939,245-050-6,22519-99-9,"3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, sodium salt",-,[Na+].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,[Na+].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C27H30O16.Na/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;/q;+1",C27H30O16.xNa,,,,,,HYQDOQKYLVOQGY-ZAAWVBGYSA-N,,,,,,,,,,,
100.040.941,245-052-7,22525-95-7,2'-(oxiranylmethoxy)-3-phenylpropiophenone,1-[2-(oxiran-2-ylmethoxy)phenyl]-3-phenylpropan-1-one,O=C(CCc1ccccc1)c2ccccc2OCC3CO3,O=C(CCc1ccccc1)c2ccccc2OCC3CO3,"InChI=1/C18H18O3/c19-17(11-10-14-6-2-1-3-7-14)16-8-4-5-9-18(16)21-13-15-12-20-15/h1-9,15H,10-13H2",C18H18O3,,,,,,AUZMQKJKLUZHBY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.946,245-057-4,22532-51-0,p-methoxyphenethyl acetate,2-(4-methoxyphenyl)ethyl acetate,COc1ccc(CCOC(=O)C)cc1,COc1ccc(CCOC(=O)C)cc1,"InChI=1/C11H14O3/c1-9(12)14-8-7-10-3-5-11(13-2)6-4-10/h3-6H,7-8H2,1-2H3",C11H14O3,,,,,,OBGXWJYYWCNXIT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.950,245-062-1,22535-44-0,Lithium mercaptoacetate,lithium sulfanylacetate,[Li+].[O-]C(=O)CS,[Li+].[O-]C(=O)CS,"InChI=1/C2H4O2S.Li/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+1/p-1",C2H4O2S.Li,,,,,,SGYLFAPYNSPKBJ-UHFFFAOYSA-M,,,,,,,,,,,
100.040.957,245-070-5,22544-02-1,4-chloro-1-(2-chlorophenoxy)-2-nitrobenzene,4-chloro-1-(2-chlorophenoxy)-2-nitrobenzene,[O-][N+](=O)c1cc(Cl)ccc1Oc2ccccc2Cl,[O-][N+](=O)c1cc(Cl)ccc1Oc2ccccc2Cl,InChI=1/C12H7Cl2NO3/c13-8-5-6-12(10(7-8)15(16)17)18-11-4-2-1-3-9(11)14/h1-7H,C12H7Cl2NO3,,,,,,AXWRVQCZOCJLFC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.958,245-071-0,22544-07-6,2-chloro-1-(4-chlorophenoxy)-4-nitrobenzene,2-chloro-1-(4-chlorophenoxy)-4-nitrobenzene,[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,InChI=1/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(15(16)17)7-11(12)14/h1-7H,C12H7Cl2NO3,,,,,,RTCVXHVOOYCYNA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.959,245-072-6,22545-15-9,p-ethoxyphenethyl alcohol,2-(4-ethoxyphenyl)ethanol,CCOc1ccc(CCO)cc1,CCOc1ccc(CCO)cc1,"InChI=1/C10H14O2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6,11H,2,7-8H2,1H3",C10H14O2,,,,,,CNMVSNTVPZWQMI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.973,245-087-8,22567-38-0,"[S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one","2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-3(4H)-one",CC1=CCC(CC1)C2(C)CCC(=O)C(C)(C)O2,CC1=CCC(CC1)C2(C)CCC(=O)C(C)(C)O2,"InChI=1/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12H,6-10H2,1-4H3",C15H24O2,,,,,,MJWZYBQLHJQQJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.398,249-954-1,29915-38-6,3-(tris(hydroxymethyl)methylamino)propane-1-sulphonic acid,"3-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}propane-1-sulfonic acid",OCC(CO)(CO)NCCCS(=O)(=O)O,OCC(CO)(CO)NCCCS(=O)(=O)O,"InChI=1/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)",C7H17NO6S,,,,,,YNLCVAQJIKOXER-UHFFFAOYSA-N,,,,,,,,,,,
100.045.404,249-960-4,29927-08-0,"5,6-dimethylbenzothiazol-2-ylamine","5,6-dimethyl-1,3-benzothiazol-2-amine",Cc1cc2nc(N)sc2cc1C,Cc1cc2nc(N)sc2cc1C,"InChI=1/C9H10N2S/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11)",C9H10N2S,,,,,,IODWHFFPQHUDAG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.413,249-970-9,29949-85-7,Tris(3-chlorophenyl)phosphine,tris(3-chlorophenyl)phosphine,Clc1cccc(c1)P(c2cccc(Cl)c2)c3cccc(Cl)c3,Clc1cccc(c1)P(c2cccc(Cl)c2)c3cccc(Cl)c3,InChI=1/C18H12Cl3P/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,C18H12Cl3P,,,,,,QAPGHLJQIVDTPT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.417,249-975-6,29957-43-5,"3,7-dimethylocta-1,5,7-trien-3-ol","3,7-dimethylocta-1,5,7-trien-3-ol",CC(O)(C=C)CC=CC(=C)C,CC(O)(C=C)CC=CC(=C)C,"InChI=1/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3",C10H16O,,,,,,ZJIQIJIQBTVTDY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.419,249-977-7,29962-83-2,Di-tert-tetradecyl disulphide,"2,2,3,4,4,5,6-heptamethyl-6-[(1,1,2,3,3,4,5,5-octamethylhexyl)disulfanyl]heptane",CC(C(C)(C)C)C(C)(C)C(C)C(C)(C)SSC(C)(C)C(C)C(C)(C)C(C)C(C)(C)C,CC(C(C)(C)C)C(C)(C)C(C)C(C)(C)SSC(C)(C)C(C)C(C)(C)C(C)C(C)(C)C,"InChI=1/C28H58S2/c1-19(23(5,6)7)25(11,12)21(3)27(15,16)29-30-28(17,18)22(4)26(13,14)20(2)24(8,9)10/h19-22H,1-18H3",C28H58S2,,,,,,PUZFDZFKIPUGSO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.421,249-979-8,29968-23-8,"Undecenoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","undec-2-enoic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.CCCCCCCCC=CC(O)=O,OCCN(CCO)CCO.CCCCCCCCC=CC(O)=O,"InChI=1/C11H20O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h9-10H,2-8H2,1H3,(H,12,13);8-10H,1-6H2",C11H20O2.C6H15NO3,,,,,,ANQKHDPIRGQWPU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.424,249-982-4,29975-16-4,Estazolam,"8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",Clc1ccc2c(c1)C(=NCc3nncn23)c4ccccc4,Clc1ccc2c(c1)C(=NCc3nncn23)c4ccccc4,"InChI=1/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2",C16H11ClN4,,,,,,CDCHDCWJMGXXRH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.002,222-001-7,3312-60-5,3-cyclohexylaminopropylamine,"N-cyclohexylpropane-1,3-diamine",NCCCNC1CCCCC1,NCCCNC1CCCCC1,"InChI=1/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2",C9H20N2,,,,,,ITZPOSYADVYECJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.006,222-005-9,3314-35-0,"4,5-dihydro-1-phenyl-1H-pyrazol-3-amine","1-phenyl-4,5-dihydro-1H-pyrazol-3-amine",NC1=NN(CC1)c2ccccc2,NC1=NN(CC1)c2ccccc2,"InChI=1/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)",C9H11N3,,,,,,QENUTIJJGGTTPE-UHFFFAOYSA-N,,,,,,,,,,,
100.020.009,222-009-0,4/09/3316,4-nitropyrocatechol,"4-nitrobenzene-1,2-diol",Oc1ccc(cc1O)[N+](=O)[O-],Oc1ccc(cc1O)[N+](=O)[O-],"InChI=1/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H",C6H5NO4,,,,,,XJNPNXSISMKQEX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.011,222-011-1,3317-61-1,"3,4-dihydro-2,2-dimethyl-2H-pyrrole 1-oxide","2,2-dimethyl-3,4-dihydro-2H-pyrrole 1-oxide",CC1(C)CCC=[N+]1[O-],CC1(C)CCC=[N+]1[O-],"InChI=1/C6H11NO/c1-6(2)4-3-5-7(6)8/h5H,3-4H2,1-2H3",C6H11NO,,,,,,VCUVETGKTILCLC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.016,222-016-9,5/01/3319,1-cyclohexylpiperidine,1-cyclohexylpiperidine,C1CCC(CC1)N2CCCCC2,C1CCC(CC1)N2CCCCC2,"InChI=1/C11H21N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11H,1-10H2",C11H21N,,,,,,DSSKLTAHHALFRW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.461,219-205-3,2386-62-1,Dibromoethylaluminium,dibromo(ethyl)aluminum,CC[Al](Br)Br,CC[Al](Br)Br,"InChI=1/C2H5.Al.2BrH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2/rC2H5AlBr2/c1-2-3(4)5/h2H2,1H3",C2H5AlBr2,,,,,,JFICPAADTOQAMU-UHFFFAOYSA-L,,,,,,,,,,,
100.017.466,219-211-6,2387-18-0,"3,6-bis(chloromethyl)toluene","1,4-bis(chloromethyl)-2-methylbenzene",Cc1cc(CCl)ccc1CCl,Cc1cc(CCl)ccc1CCl,"InChI=1/C9H10Cl2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4H,5-6H2,1H3",C9H10Cl2,,,,,,AUZOUQPAAITHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.017.475,219-221-0,2389-45-9,"N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine",N~6~-[(benzyloxy)carbonyl]-N~2~-(tert-butoxycarbonyl)-L-lysine,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)",C19H28N2O6,,,,,,BDHUTRNYBGWPBL-HNNXBMFYSA-N,,,,,,,,,,,
100.017.476,219-222-6,2389-49-3,"Methyl N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysinate",methyl N~2~-[(benzyloxy)carbonyl]-N~6~-(tert-butoxycarbonyl)-L-lysinate,COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1,COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1,"InChI=1/C20H30N2O6/c1-20(2,3)28-18(24)21-13-9-8-12-16(17(23)26-4)22-19(25)27-14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,21,24)(H,22,25)",C20H30N2O6,,,,,,ZJWQKFBUQSKZOS-INIZCTEOSA-N,,,,,,,,,,,
100.017.480,219-226-8,2/09/2390,Methyl cis-icos-11-enoate,methyl icos-11-enoate,CCCCCCCC\\C=C/CCCCCCCCCC(=O)OC,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC,"InChI=1/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3",C21H40O2,,,,,,RBKMRGOHCLRTLZ-KHPPLWFESA-N,,,,,,,,,,,
100.017.483,219-229-4,2390-56-9,3-amino-7-(dimethylamino)-5-phenylphenazinium chloride,3-amino-7-(dimethylamino)-5-phenylphenazin-5-ium chloride,[Cl-].CN(C)c1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1,[Cl-].CN(C)c1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1,"InChI=1/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H",C20H19N4.Cl,,,,,,SQHWUYVHKRVCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.017.486,219-233-6,2390-63-8,"3,6-bis(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]xanthylium chloride","3,6-bis(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]xanthenium chloride",[Cl-].CCOC(=O)c1ccccc1c2c3ccc(cc3[o+]c4cc(ccc24)N(CC)CC)N(CC)CC,[Cl-].CCOC(=O)c1ccccc1c2c3ccc(cc3[o+]c4cc(ccc24)N(CC)CC)N(CC)CC,"InChI=1/C30H35N2O3.ClH/c1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5;/h11-20H,6-10H2,1-5H3;1H/q+1;/p-1",C30H35N2O3.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16899,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.486,UOKMUTMXUMSRKM-UHFFFAOYSA-M,,,,,,,,,,,
100.017.488,219-235-7,2390-74-1,a-glycyltryptophan,alpha-(aminoacetyl)tryptophan,NCC(=O)C(N)(Cc1c[nH]c2ccccc12)C(=O)O,NCC(=O)C(N)(Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C13H15N3O3/c14-6-11(17)13(15,12(18)19)5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6,14-15H2,(H,18,19)",C13H15N3O3,,,,,,WQTAHVHDFZAPQB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.490,219-237-8,2391-28-8,9-(4-aminophenyl)-2-methylacridin-3-amine nitrate,9-(4-aminophenyl)-2-methylacridin-3-amine nitrate,Cc1cc2c(c3ccc(N)cc3)c4ccccc4nc2cc1N.O[N+](=O)[O-],Cc1cc2c(c3ccc(N)cc3)c4ccccc4nc2cc1N.O[N+](=O)[O-],"InChI=1/C20H17N3.HNO3/c1-12-10-16-19(11-17(12)22)23-18-5-3-2-4-15(18)20(16)13-6-8-14(21)9-7-13;2-1(3)4/h2-11H,21-22H2,1H3;(H,2,3,4)",C20H17N3.HNO3,,,,,,ICISKFRDNHZCKS-UHFFFAOYSA-N,,,,,,,,,,,
100.019.000,220-899-5,4/05/2930,[(benzyloxy)methyl]benzene,"1,1'-[oxybis(methylene)]dibenzene",C(OCc1ccccc1)c2ccccc2,C(OCc1ccccc1)c2ccccc2,"InChI=1/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2",C10H12O2,,,,,,MHDVGSVTJDSBDK-UHFFFAOYSA-N,,,,,,,,,,,
100.019.006,220-906-1,6/05/2934,"2,4-diisopropylphenol","2,4-diisopropylphenol",CC(C)c1ccc(O)c(c1)C(C)C,CC(C)c1ccc(O)c(c1)C(C)C,"InChI=1/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3",C12H18O,,,,,,KEUMBYCOWGLRBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.194,248-630-7,27738-87-0,"Disodium 3,3'-dithiobis(benzenesulphonate)","disodium 3,3'-disulfanediyldibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc(SSc2cccc(c2)S(=O)(=O)[O-])c1,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(SSc2cccc(c2)S(=O)(=O)[O-])c1,"InChI=1/C12H10O6S4.2Na/c13-21(14,15)11-5-1-3-9(7-11)19-20-10-4-2-6-12(8-10)22(16,17)18;;/h1-8H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",C12H10O6S4.2Na,,,,,,INBXJOCVGSWJRR-UHFFFAOYSA-L,,,,,,,,,,,
100.044.199,248-635-4,27750-19-2,Ethyl 3-(acetoxy)crotonate,ethyl 3-acetoxybut-2-enoate,CCOC(=O)\\C=C(\\C)/OC(=O)C,CCOC(=O)\C=C(\C)/OC(=O)C,"InChI=1/C8H12O4/c1-4-11-8(10)5-6(2)12-7(3)9/h5H,4H2,1-3H3",C8H12O4,,,,,,VSCUAMOPAHJJTA-WAYWQWQTSA-N,,,,,,,,,,,
100.044.202,248-639-6,27757-85-3,(2-thienylmethyl)amine,1-(2-thienyl)methanamine,NCc1cccs1,NCc1cccs1,"InChI=1/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2",C5H7NS,,,,,,FKKJJPMGAWGYPN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.207,248-644-3,27762-70-5,"2,5,8,11,14,17,20,23,26,29,32-Undecaoxatritriacontane","2,5,8,11,14,17,20,23,26,29,32-undecaoxatritriacontane",COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC,"InChI=1/C22H46O11/c1-23-3-5-25-7-9-27-11-13-29-15-17-31-19-21-33-22-20-32-18-16-30-14-12-28-10-8-26-6-4-24-2/h3-22H2,1-2H3",C22H46O11,,,,,,PDEOEGJBHWWNIL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.208,248-645-9,27765-48-6,Indium(3+) tetrafluoroborate(1-),indium tritetrafluoroborate,[In+3].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F,[In+3].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/3BF4.In/c3*2-1(3,4)5;/q3*-1;+3",BF4.1/3In,,,,,,HJMBULYIJOMTBF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.214,248-652-7,27774-13-6,Vanadium oxide sulphate,oxovanadium(2+) sulfate,[O-]S(=O)(=O)[O-].O=[V+2],[O-]S(=O)(=O)[O-].O=[V+2],"InChI=1/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2/rH2O4S.OV/c1-5(2,3)4;1-2/h(H2,1,2,3,4);/q;+2/p-2",O5SV,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5867,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.214,UUUGYDOQQLOJQA-UHFFFAOYSA-L,,,,,,,,,,,
100.044.219,248-657-4,27779-29-9,"(1a,2ß,3a,5a)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",C[C@H]1[C@H](O)C[C@H]2C[C@@H]1C2(C)C,C[C@H]1[C@H](O)C[C@H]2C[C@@H]1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-LURQLKTLSA-N,,,,,,,,,,,
100.040.930,245-040-1,22499-66-7,Cyclopentyl propionate,cyclopentyl propionate,CCC(=O)OC1CCCC1,CCC(=O)OC1CCCC1,"InChI=1/C8H14O2/c1-2-8(9)10-7-5-3-4-6-7/h7H,2-6H2,1H3",C8H14O2,,,,,,MRKZAZMYXYSBDG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.935,245-045-9,22504-72-9,"N,N'-dimethylsulphamide","N,N'-dimethylsulfamide",CNS(=O)(=O)NC,CNS(=O)(=O)NC,"InChI=1/C2H8N2O2S/c1-3-7(5,6)4-2/h3-4H,1-2H3",C2H8N2O2S,,,,,,SQNVFBHILRFQJY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.936,245-046-4,22508-64-1,4-methylpent-4-ene-1-ol,4-methylpent-4-en-1-ol,CC(=C)CCCO,CC(=C)CCCO,"InChI=1/C6H12O/c1-6(2)4-3-5-7/h7H,1,3-5H2,2H3",C6H12O,,,,,,LOFHPLKGPULNQP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.943,245-054-8,22527-63-5,"3-benzoyloxy-2,2,4-trimethylpentyl isobutyrate","3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl benzoate",CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)C(C)C,CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)C(C)C,"InChI=1/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3",C19H28O4,,,,,,FFSJSGNXYKUSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.944,245-055-3,22527-72-6,2-bromo-2-nitrobutyl phenylcarbamate,2-bromo-2-nitrobutyl phenylcarbamate,CCC(Br)(COC(=O)Nc1ccccc1)[N+](=O)[O-],CCC(Br)(COC(=O)Nc1ccccc1)[N+](=O)[O-],"InChI=1/C11H13BrN2O4/c1-2-11(12,14(16)17)8-18-10(15)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15)",C11H13BrN2O4,,,,,,FOFZHBKHCDFOPR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.945,245-056-9,22532-47-4,p-methylphenethyl acetate,2-(4-methylphenyl)ethyl acetate,CC(=O)OCCc1ccc(C)cc1,CC(=O)OCCc1ccc(C)cc1,"InChI=1/C11H14O2/c1-9-3-5-11(6-4-9)7-8-13-10(2)12/h3-6H,7-8H2,1-2H3",C11H14O2,,,,,,SQLIRIQAWQKBFY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.948,245-060-0,22535-03-1,Phenylacetyl bromide,phenylacetyl bromide,BrC(=O)Cc1ccccc1,BrC(=O)Cc1ccccc1,"InChI=1/C8H7BrO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2",C8H7BrO,,,,,,IAKFGFQVHBKCAS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.953,245-065-8,22537-96-8,Di-tert-butyl bisperoxysebacate,di-tert-butyl decanediperoxoate,CC(C)(C)OOC(=O)CCCCCCCCC(=O)OOC(C)(C)C,CC(C)(C)OOC(=O)CCCCCCCCC(=O)OOC(C)(C)C,"InChI=1/C18H34O6/c1-17(2,3)23-21-15(19)13-11-9-7-8-10-12-14-16(20)22-24-18(4,5)6/h7-14H2,1-6H3",C18H34O6,,,,,,SKHDZVWVWFGQLI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.961,245-074-7,22554-74-1,"trans-tetrahydrofuran-3,4-diol","tetrahydrofuran-3,4-diol",O[C@H]1COC[C@@H]1O,O[C@H]1COC[C@@H]1O,"InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2",C4H8O3,,,,,,SSYDTHANSGMJTP-IMJSIDKUSA-N,,,,,,,,,,,
100.040.970,245-084-1,22567-17-5,"[1R-(1a,3aß,4a,7ß)]-1,2,3,3a,4,5,6,7-octahydro-7-isopropenyl-1,4-dimethylazulene","7-isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene",CC1CCC(C=C2C(C)CCC12)C(=C)C,CC1CCC(C=C2C(C)CCC12)C(=C)C,"InChI=1/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3",C15H24,,,,,,DUYRYUZIBGFLDD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.971,245-085-7,22567-21-1,"[1S-(1a,2ß,5a)]-2-methyl-5-(1-methylvinyl)cyclohexan-1-ol",5-isopropenyl-2-methylcyclohexanol,CC1CCC(CC1O)C(=C)C,CC1CCC(CC1O)C(=C)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3",C10H18O,,,,,,KRCZYMFUWVJCLI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.613,247-990-2,26763-71-3,Toluenesulphonyl chloride,2-methylbenzenesulfonyl chloride,Cc1ccccc1S(=O)(=O)Cl,Cc1ccccc1S(=O)(=O)Cl,"InChI=1/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3",C7H7ClO2S,,,,,,HDECRAPHCDXMIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.614,247-991-8,26764-26-1,Octadecenoic acid,octadec-2-enoic acid,OC(=O)C=CCCCCCCCCCCCCCCC,OC(=O)C=CCCCCCCCCCCCCCCC,"InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)",C18H34O2,,,,,,LKOVPWSSZFDYPG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.619,247-997-0,26772-92-9,1-isopropyl-1-(3-tolyl)urea,1-isopropyl-1-(3-methylphenyl)urea,CC(C)N(C(=O)N)c1cccc(C)c1,CC(C)N(C(=O)N)c1cccc(C)c1,"InChI=1/C11H16N2O/c1-8(2)13(11(12)14)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H2,12,14)",C11H16N2O,,,,,,BOPFLHYLIGVMGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.624,248-002-2,26786-32-3,"1-(4-chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]ethan-1-one monohydrochloride","1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino}ethanone hydrochloride",Cl.CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4,Cl.CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4,"InChI=1/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H",C26H27ClN2O.ClH,,,,,,ZWZIQPOLMDPIQM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.125,250-754-1,31659-42-4,"4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole","2-(3-nitrophenyl)-4,5-dihydro-1H-imidazole",[O-][N+](=O)c1cccc(c1)C2=NCCN2,[O-][N+](=O)c1cccc(c1)C2=NCCN2,"InChI=1/C9H9N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-3,6H,4-5H2,(H,10,11)",C9H9N3O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18481,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.125,YSCJJOXSVFNSPY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.203,247-540-5,26248-43-1,Dihydroxyoctadecanoic acid,"2,2-dihydroxyoctadecanoic acid",CCCCCCCCCCCCCCCCC(O)(O)C(=O)O,CCCCCCCCCCCCCCCCC(O)(O)C(=O)O,"InChI=1/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21,22)17(19)20/h21-22H,2-16H2,1H3,(H,19,20)",C18H36O4,,,,,,SXNBVULTHKFMNO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.204,247-541-0,26248-95-3,Methyl hydrogen 2-methylenesuccinate,3-(methoxycarbonyl)but-3-enoic acid,COC(=O)C(=C)CC(=O)O,COC(=O)C(=C)CC(=O)O,"InChI=1/C6H8O4/c1-4(3-5(7)8)6(9)10-2/h1,3H2,2H3,(H,7,8)",C6H8O4,,,,,,KBFJHOCTSIMQKL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.205,247-542-6,26248-98-6,"Dichlorotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3-dichlorotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",ClN1C2NC(=O)NC2N(Cl)C1=O,ClN1C2NC(=O)NC2N(Cl)C1=O,"InChI=1/C4H4Cl2N4O2/c5-9-1-2(8-3(11)7-1)10(6)4(9)12/h1-2H,(H2,7,8,11)",C4H4Cl2N4O2,,,,,,JSWHIHQUAYRMHD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.211,247-548-9,26254-05-7,"1,2-diisopropylhydrazine monohydrochloride","1,2-diisopropylhydrazine hydrochloride",Cl.CC(C)NNC(C)C,Cl.CC(C)NNC(C)C,"InChI=1/C6H16N2.ClH/c1-5(2)7-8-6(3)4;/h5-8H,1-4H3;1H",C6H16N2.ClH,,,,,,HVFVHTXCDMGAQR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.212,247-549-4,26254-86-4,"3-methoxy-2,2-dimethylpropionaldehyde","3-methoxy-2,2-dimethylpropanal",COCC(C)(C)C=O,COCC(C)(C)C=O,"InChI=1/C6H12O2/c1-6(2,4-7)5-8-3/h4H,5H2,1-3H3",C6H12O2,,,,,,MSUXOWPAVUXNMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.213,247-551-5,26254-92-2,2-ethyl-3-methylbutyraldehyde,2-ethyl-3-methylbutanal,CCC(C=O)C(C)C,CCC(C=O)C(C)C,"InChI=1/C7H14O/c1-4-7(5-8)6(2)3/h5-7H,4H2,1-3H3",C7H14O,,,,,,SHGPBDQRELYPLO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.216,247-554-1,26259-45-0,Secbumeton,"N-sec-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine",CCNc1nc(NC(C)CC)nc(OC)n1,CCNc1nc(NC(C)CC)nc(OC)n1,"InChI=1/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)",C10H19N5O,,,,,,ZJMZZNVGNSWOOM-UHFFFAOYSA-N,Positive,EA066901|EA066902|EA066903|EA066904|EA066905|EA066906|EA066907|EA066908|EA066909|EA066910|EA066911|EA066912|EA066913|EA066914,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,170.1039:114.0662:142.0724|226.1664|226.1666:170.1038:96.0559|226.1662:170.1038:100.0505|170.1037:226.1665:100.0506|170.1038:100.0506:142.0724|100.0505:68.0243:69.0084|226.1665:173.1143|226.1664:170.1037:100.0505|226.1665:170.1039:100.0506|170.1038:226.1665:100.0506|170.1034:100.0505:142.0723|100.0505:68.0243:69.0084|170.1037:114.0662:226.1664,Eawag,,,,,
100.043.217,247-555-7,26264-02-8,"14-(nonylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol","14-(2-nonylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol",CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCO,CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCO,"InChI=1/C25H44O6/c1-2-3-4-5-6-7-8-11-24-12-9-10-13-25(24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h9-10,12-13,26H,2-8,11,14-23H2,1H3",C25H44O6,,,,,,HRQQEXIVBZHHOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.220,247-558-3,26264-09-5,Chlorobenzoic acid,benzoyl chloride,ClC(=O)c1ccccc1,ClC(=O)c1ccccc1,InChI=1/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H,C7H5ClO2,,,,,,PASDCCFISLVPSO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.227,247-566-7,26265-65-6,"Thiosulphuric acid, lead salt",-,[Pb].OS(=O)(=O)S,[Pb].OS(=O)(=O)S,"InChI=1/H2O3S2.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/rH2O3S2.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4",H2O3S2.xPb,,,,,,NNGIUXNUOGRHIH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.228,247-567-2,26266-05-7,Heptadecene,heptadec-1-ene,CCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCC=C,"InChI=1/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3",C17H34,,,,,,ADOBXTDBFNCOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.426,249-985-0,29976-54-3,Methyl 4-oxopiperidine-1-carboxylate,methyl 4-oxopiperidine-1-carboxylate,COC(=O)N1CCC(=O)CC1,COC(=O)N1CCC(=O)CC1,"InChI=1/C7H11NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2-5H2,1H3",C7H11NO3,,,,,,HOEOMWYFJBSYSF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.429,249-988-7,29980-16-3,Dodecyl a-D-glucopyranoside,dodecyl alpha-D-glucopyranoside,CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3",C18H36O6,,,,,,PYIDGJJWBIBVIA-SFFUCWETSA-N,,,,,,,,,,,
100.045.431,249-990-8,29984-33-6,9-(5-O-phosphono-ß-D-arabinofuranosyl)adenine,9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine,Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O,Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O,"InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)",C10H14N5O7P,,,,,,UDMBCSSLTHHNCD-UHTZMRCNSA-N,,,,,,,,,,,
100.045.433,249-992-9,29994-44-3,"17-(nonylphenoxy)-3,6,9,12,15-pentaoxaheptadecan-1-yl dihydrogen phosphate","17-(2-nonylphenoxy)-3,6,9,12,15-pentaoxaheptadec-1-yl dihydrogen phosphate",CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)(O)O,CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)(O)O,"InChI=1/C27H49O10P/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)36-24-22-34-20-18-32-16-14-31-15-17-33-19-21-35-23-25-37-38(28,29)30/h9-10,12-13H,2-8,11,14-25H2,1H3,(H2,28,29,30)",C27H49O10P,,,,,,GPGULEOZHQSGDG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.438,249-998-1,30000-20-5,"1,3-dioxido-2,4-dipiperidinocyclobutenediylium",-,OC1[*]C[*](C(O)[*]C([*]1)N2CCCCC2)N3CCCCC3,OC1[*]C[*](C(O)[*]C([*]1)N2CCCCC2)N3CCCCC3,-,C14H20N2O2,,,,,,==============================,,,,,,,,,,,
100.042.275,246-519-8,24900-79-6,3-chloro-4-(4-chlorophenoxy)aniline,3-chloro-4-(4-chlorophenoxy)aniline,Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,"InChI=1/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2",C12H9Cl2NO,,,,,,OQOCWFFSZSSEDS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.277,246-521-9,24905-87-1,2-(4-amino-3-nitroanilino)ethanol,2-[(4-amino-3-nitrophenyl)amino]ethanol,Nc1ccc(NCCO)cc1[N+](=O)[O-],Nc1ccc(NCCO)cc1[N+](=O)[O-],"InChI=1/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2",C8H11N3O3,,,,,,DAGCJJZWDAVKRE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.286,246-531-3,24922-77-8,"(3,4-dichlorobenzyl)dimethyltetradecylammonium chloride","N-(3,4-dichlorobenzyl)-N,N-dimethyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1,"InChI=1/C23H40Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26(2,3)20-21-16-17-22(24)23(25)19-21;/h16-17,19H,4-15,18,20H2,1-3H3;1H/q+1;/p-1",C23H40Cl2N.Cl,,,,,,FXDFJQRWOQTUJP-UHFFFAOYSA-M,,,,,,,,,,,
100.042.289,246-535-5,24925-59-5,4-nonyl-N-(4-nonylphenyl)aniline,4-nonyl-N-(4-nonylphenyl)aniline,CCCCCCCCCc1ccc(Nc2ccc(CCCCCCCCC)cc2)cc1,CCCCCCCCCc1ccc(Nc2ccc(CCCCCCCCC)cc2)cc1,"InChI=1/C30H47N/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26,31H,3-18H2,1-2H3",C30H47N,,,,,,FCQAFXHLHBGGSK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.292,246-538-1,24934-91-6,Chlormephos,"S-(chloromethyl) O,O-diethyl dithiophosphate",CCOP(=S)(OCC)SCCl,CCOP(=S)(OCC)SCCl,"InChI=1/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3",C5H12ClO2PS2,,,,,,QGTYWWGEWOBMAK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.294,246-540-2,24939-64-8,"2-[4-[(1,3-dioxo-3-phenylpropyl)amino]phenyl]-1-octadecyl-1H-benzimidazole-5-sulphonate",1-octadecyl-2-{4-[(3-oxo-3-phenylpropanoyl)amino]phenyl}-1H-benzimidazole-5-sulfonate,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)[O-])c3ccc(NC(=O)CC(=O)c4ccccc4)cc3,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)[O-])c3ccc(NC(=O)CC(=O)c4ccccc4)cc3,"InChI=1/C40H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-43-37-28-27-35(49(46,47)48)30-36(37)42-40(43)33-23-25-34(26-24-33)41-39(45)31-38(44)32-21-18-17-19-22-32/h17-19,21-28,30H,2-16,20,29,31H2,1H3,(H,41,45)(H,46,47,48)/p-1",C40H53N3O5S.Na,,,,,,ZCDJHOQJPIXSCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.296,246-542-3,24940-63-4,"Calcium bis(hydrogen D-threo-hexo-2,5-diulosonate)","calcium bis(3,4,6-trihydroxy-2,5-dioxohexanoate) (non-preferred name)",OCC(=O)C(O)C(O)C(=O)C(=O)O[Ca]OC(=O)C(=O)C(O)C(O)C(=O)CO,OCC(=O)C(O)C(O)C(=O)C(=O)O[Ca]OC(=O)C(=O)C(O)C(O)C(=O)CO,"InChI=1/2C6H8O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*3-4,7,9-10H,1H2,(H,12,13);/q;;+2/p-2",C6H8O7.1/2Ca,,,,,,RKFLKNFLAJISPF-UHFFFAOYSA-L,,,,,,,,,,,
100.042.300,246-547-0,24960-16-5,2-acetamido-2-deoxy-D-galactonolactone,"N-[4,5-dihydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)",CC(=O)NC1C(O)C(O)C(CO)OC1=O,CC(=O)NC1C(O)C(O)C(CO)OC1=O,"InChI=1/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)",C8H13NO6,,,,,,NELQYZRSPDCGRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.306,246-553-3,24973-59-9,"1,3,5-tri(tert-butyl)-2-nitrosobenzene","1,3,5-tri-tert-butyl-2-nitrosobenzene",CC(C)(C)c1cc(c(N=O)c(c1)C(C)(C)C)C(C)(C)C,CC(C)(C)c1cc(c(N=O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H29NO/c1-16(2,3)12-10-13(17(4,5)6)15(19-20)14(11-12)18(7,8)9/h10-11H,1-9H3",C18H29NO,,,,,,OSICDPWAPKXXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.017.005,218-704-3,3/06/2217,"Bis(2,4,6-trinitrophenyl) sulphide","1,1'-sulfanediylbis(2,4,6-trinitrobenzene)",[O-][N+](=O)c1cc(c(Sc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(Sc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C12H4N6O12S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H,C12H4N6O12S,,,,,,XHJPTLWIOZRBQB-UHFFFAOYSA-N,,,,,,,,,,,
100.017.009,218-709-0,2217-15-4,Diisopropyl tartrate,diisopropyl tartarate,CC(C)OC(=O)C(O)C(O)C(=O)OC(C)C,CC(C)OC(=O)C(O)C(O)C(=O)OC(C)C,"InChI=1/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3",C10H18O6,,,,,,XEBCWEDRGPSHQH-UHFFFAOYSA-N,,,,,,,,,,,
100.017.011,218-711-1,2217-35-8,Tetrahydrofurfuryl salicylate,tetrahydrofuran-2-ylmethyl salicylate,Oc1ccccc1C(=O)OCC2CCCO2,Oc1ccccc1C(=O)OCC2CCCO2,"InChI=1/C12H14O4/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9,13H,3-4,7-8H2",C12H14O4,,,,,,VNDLMXQTZJPTOR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.012,218-712-7,2217-40-5,"1,2,3,4-tetrahydro-1-naphthylamine","1,2,3,4-tetrahydronaphthalen-1-amine",NC1CCCc2ccccc12,NC1CCCc2ccccc12,"InChI=1/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2",C10H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12079,https://echa.europa.eu/substance-information/-/substanceinfo/100.017.012,JRZGPXSSNPTNMA-UHFFFAOYSA-N,,,,,,,,,,,
100.017.018,218-719-5,2218-25-9,"L-threo-2-imino-3,4-dimethyl-5-phenylthiazolidine monohydrochloride","3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine hydrochloride",Cl.CC1C(SC(=N)N1C)c2ccccc2,Cl.CC1C(SC(=N)N1C)c2ccccc2,"InChI=1/C11H14N2S.ClH/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9;/h3-8,10,12H,1-2H3;1H",C11H14N2S.ClH,,,,,,NDTVIKQHNMODBX-UHFFFAOYSA-N,,,,,,,,,,,
100.017.020,218-721-6,2218-54-4,Sodium heptafluorobutyrate,sodium heptafluorobutanoate,[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4HF7O2.Na/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1",C4HF7O2.Na,,,,,,YSHHTXWLHYSYJP-UHFFFAOYSA-M,,,,,,,,,,,
100.017.022,218-723-7,2218-80-6,Copper bis(4-cyclohexylbutyrate),copper(2+) bis(4-cyclohexylbutanoate),[Cu+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1,[Cu+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1,"InChI=1/2C10H18O2.Cu/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Cu,,,,,,FGUOYHAMMRMUQO-UHFFFAOYSA-L,,,,,,,,,,,
100.017.026,218-727-9,2219-30-9,Penicillamine hydrochloride,3-sulfanyl-D-valine hydrochloride,Cl.CC(C)(S)[C@@H](N)C(=O)O,Cl.CC(C)(S)[C@@H](N)C(=O)O,"InChI=1/C5H11NO2S.ClH/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);1H",C5H11NO2S.ClH,,,,,,CZDHUFYOXKHLME-DFWYDOINSA-N,,,,,,,,,,,
100.017.028,218-730-5,2219-51-4,"1,2-ethane-[2H4]diol",ethylene glycol,OCCO,OCCO,"InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2",C2H2D4O2,,,,,,LYCAIKOWRPUZTN-UHFFFAOYSA-N,,,,,,,,,,,
100.017.031,218-733-1,2219-73-0,4-ethyl-o-cresol,4-ethyl-2-methylphenol,CCc1ccc(O)c(C)c1,CCc1ccc(O)c(C)c1,"InChI=1/C9H12O/c1-3-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3",C9H12O,,,,,,QDQMEHXIUFCIGR-UHFFFAOYSA-N,,,,,,,,,,,
100.017.034,218-736-8,3/07/2222,"2,16a,20,25-tetrahydroxy-9ß-methyl-10a-19-norlanosta-1,5,23(E)-triene-3,11,22-trione","2,16,20,26-tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,24-triene-1,11,23-trione",CC(=CC(=O)CC(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C)CO,CC(=CC(=O)CC(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C)CO,"InChI=1/C30H42O7/c1-16(15-31)10-17(32)12-29(6,37)24-21(34)13-27(4)22-9-8-18-19(11-20(33)25(36)26(18,2)3)30(22,7)23(35)14-28(24,27)5/h8,10-11,19,21-22,24,31,33-34,37H,9,12-15H2,1-7H3",C30H42O7,,,,,,OGQKEIDABATAPW-UHFFFAOYSA-N,,,,,,,,,,,
100.017.040,218-743-6,2223-93-0,Cadmium distearate,cadmium dioctadecanoate,[Cd+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.1/2Cd,,,,,,GWOWVOYJLHSRJJ-UHFFFAOYSA-L,,,,,,,,,,,
100.017.042,218-745-7,2224-00-2,2-ethoxy-1-naphthoic acid,2-ethoxy-1-naphthoic acid,CCOc1ccc2ccccc2c1C(=O)O,CCOc1ccc2ccccc2c1C(=O)O,"InChI=1/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)",C13H12O3,,,,,,MYFBSSDLYGWAHH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.426,222-467-1,3482-86-8,Ethylguanidinium sulphate (2:1),bis(N-carbamimidoylethanaminium) sulfate,CC[NH2+]C(=N)N.CC[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],CC[NH2+]C(=N)N.CC[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2C3H9N3.H2O4S/c2*1-2-6-3(4)5;1-5(2,3)4/h2*2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)",C3H9N3.1/2H2O4S,,,,,,UKQVDMIAGTYDFN-UHFFFAOYSA-N,,,,,,,,,,,
100.020.431,222-472-9,3485-82-3,"3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt",-,[Na+].CN1C(=O)N(C)c2[nH]cnc2C1=O,[Na+].CN1C(=O)N(C)c2[nH]cnc2C1=O,"InChI=1/C7H8N4O2.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);/q;+1",C7H8N4O2.Na,,,,,,QCSOKBAGQJVOIC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.432,222-473-4,3485-84-5,N-vinylphthalimide,"2-vinyl-1H-isoindole-1,3(2H)-dione",C=CN1C(=O)c2ccccc2C1=O,C=CN1C(=O)c2ccccc2C1=O,"InChI=1/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2",C10H7NO2,,,,,,IGDLZDCWMRPMGL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.397,249-953-6,29912-78-5,Methyl 2-hexyl-3-oxocyclopentaneacetate,methyl (2-hexyl-3-oxocyclopentyl)acetate,CCCCCCC1C(CC(=O)OC)CCC1=O,CCCCCCC1C(CC(=O)OC)CCC1=O,"InChI=1/C14H24O3/c1-3-4-5-6-7-12-11(8-9-13(12)15)10-14(16)17-2/h11-12H,3-10H2,1-2H3",C14H24O3,,,,,,GLASPHLTTAHWPI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.401,249-957-8,29922-56-3,3-bromo-4-hydroxybenzyl alcohol,2-bromo-4-(hydroxymethyl)phenol,OCc1ccc(O)c(Br)c1,OCc1ccc(O)c(Br)c1,"InChI=1/C7H7BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-3,9-10H,4H2",C7H7BrO2,,,,,,HAFQFRJTRZBJJF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.407,249-964-6,29939-34-2,"4,6-dimethoxy-2-methyl-5-nitropyrimidine","4,6-dimethoxy-2-methyl-5-nitropyrimidine",COc1nc(C)nc(OC)c1[N+](=O)[O-],COc1nc(C)nc(OC)c1[N+](=O)[O-],InChI=1/C7H9N3O4/c1-4-8-6(13-2)5(10(11)12)7(9-4)14-3/h1-3H3,C7H9N3O4,,,,,,YOCZCPSNNGRGHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.410,249-967-2,29943-42-8,Tetrahydro-4H-pyran-4-one,tetrahydro-4H-pyran-4-one,O=C1CCOCC1,O=C1CCOCC1,InChI=1/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2,C5H8O2,,,,,,JMJRYTGVHCAYCT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.412,249-969-3,29949-19-7,3-nitrobenzylidene di(acetate),(3-nitrophenyl)methylene diacetate,CC(=O)OC(OC(=O)C)c1cccc(c1)N(=O)=O,CC(=O)OC(OC(=O)C)c1cccc(c1)N(=O)=O,"InChI=1/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-4-3-5-10(6-9)12(15)16/h3-6,11H,1-2H3",C11H11NO6,,,,,,QJNXSPWUBMFCND-UHFFFAOYSA-N,,,,,,,,,,,
100.045.435,249-995-5,29996-45-0,Cyclododecanediol,"cyclododecane-1,1-diol",OC1(O)CCCCCCCCCCC1,OC1(O)CCCCCCCCCCC1,"InChI=1/C12H24O2/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-12/h13-14H,1-11H2",C12H24O2,,,,,,MGBBJDOYTDFYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.436,249-996-0,29997-27-1,Butyl-p-cresol,2-butyl-4-methylphenol,CCCCc1cc(C)ccc1O,CCCCc1cc(C)ccc1O,"InChI=1/C11H16O/c1-3-4-5-10-8-9(2)6-7-11(10)12/h6-8,12H,3-5H2,1-2H3",C11H16O,,,,,,FEXBEKLLSUWSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.439,249-999-7,30004-10-5,Magnesium abietate,"magnesium diabieta-7,13-dien-18-oate",[Mg+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4,[Mg+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4,"InChI=1/2C20H30O2.Mg/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2",C20H30O2.1/2Mg,,,,,,RVVVYWVQSZTDIK-JHZYRPMRSA-L,,,,,,,,,,,
100.045.442,250-002-2,30018-16-7,(2-ethoxy-1-methyl-2-oxoethyl)triphenylphosphonium bromide,(2-ethoxy-1-methyl-2-oxoethyl)(triphenyl)phosphonium bromide,[Br-].CCOC(=O)C(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCOC(=O)C(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C23H24O2P.BrH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1",C23H24O2P.Br,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6247,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.442,RSYXORMKBUFAMS-UHFFFAOYSA-M,,,,,,,,,,,
100.042.278,246-522-4,24909-72-6,Oleic anhydride,octadec-9-enoic anhydride,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C36H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3",C36H66O3,,,,,,OCNZHGHKKQOQCZ-CLFAGFIQSA-N,,,,,,,,,,,
100.042.285,246-530-8,24920-35-2,4-methyl-2-nitrobenzenediazonium,4-methyl-2-nitrobenzenediazonium,Cc1ccc([N+]#N)c(c1)[N+](=O)[O-],Cc1ccc([N+]#N)c(c1)[N+](=O)[O-],"InChI=1/C7H6N3O2/c1-5-2-3-6(9-8)7(4-5)10(11)12/h2-4H,1H3/q+1",C7H6N3O2,,,,,,OAZDQIRBVZYONU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.288,246-533-4,24924-36-5,N-allyl-N-ethylheptadecafluorooctanesulphonamide,"N-allyl-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",CCN(CC=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H10F17NO2S/c1-3-5-31(4-2)34(32,33)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h3H,1,4-5H2,2H3",C13H10F17NO2S,,,,,,ALIDKXPAUJUDJU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.290,246-536-0,24928-72-1,"(1,2-dithioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) dioctanoate","N,N'-bis[2-(octanoyloxy)ethyl]ethanebis(imidothioic acid)",CCCCCCCC(=O)OCCN=C(S)C(=NCCOC(=O)CCCCCCC)S,CCCCCCCC(=O)OCCN=C(S)C(=NCCOC(=O)CCCCCCC)S,"InChI=1/C22H40N2O4S2/c1-3-5-7-9-11-13-19(25)27-17-15-23-21(29)22(30)24-16-18-28-20(26)14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,23,29)(H,24,30)",C22H40N2O4S2,,,,,,FQTFRQGCMXFYGR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.293,246-539-7,24935-08-8,1-(2-aminoethyl)pyrrolidin-2-one,1-(2-aminoethyl)pyrrolidin-2-one,NCCN1CCCC1=O,NCCN1CCCC1=O,"InChI=1/C6H12N2O/c7-3-5-8-4-1-2-6(8)9/h1-5,7H2",C6H12N2O,,,,,,HHEKNWQXFVOUNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.297,246-543-9,24948-81-0,"N-chloro-N,N-diisopropylamine",N-chloro-N-isopropylpropan-2-amine,CC(C)N(Cl)C(C)C,CC(C)N(Cl)C(C)C,"InChI=1/C6H14ClN/c1-5(2)8(7)6(3)4/h5-6H,1-4H3",C6H14ClN,,,,,,YGZQKMUEFIDPIB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.307,246-554-9,24985-85-1,Ethyl 5-hydroxy-1H-indole-2-carboxylate,ethyl 5-hydroxy-1H-indole-2-carboxylate,CCOC(=O)c1cc2cc(O)ccc2[nH]1,CCOC(=O)c1cc2cc(O)ccc2[nH]1,"InChI=1/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3",C11H11NO3,,,,,,WANAXLMRGYGCPC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.229,247-568-8,26266-57-9,Sorbitan palmitate,"1,4-anhydro-6-O-palmitoyl-D-glucitol",CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,"InChI=1/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3",C22H42O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12294,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.229,IYFATESGLOUGBX-YVNJGZBMSA-N,,,,,,,,,,,
100.043.247,247-588-7,26292-53-5,Diethylammonium sulphate,bis(N-ethylethanaminium) sulfate,CC[NH2+]CC.CC[NH2+]CC.[O-]S(=O)(=O)[O-],CC[NH2+]CC.CC[NH2+]CC.[O-]S(=O)(=O)[O-],"InChI=1/2C4H11N.H2O4S/c2*1-3-5-4-2;1-5(2,3)4/h2*5H,3-4H2,1-2H3;(H2,1,2,3,4)",C4H11N.xH2O4S,,,,,,QZZGOJPCSBTTHI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.248,247-589-2,26292-69-3,"2,2'-methylenebis[6-(1-phenylethyl)-p-cresol]","2,2'-methylenebis[4-methyl-6-(1-phenylethyl)phenol]",CC(c1ccccc1)c2cc(C)cc(Cc3cc(C)cc(C(C)c4ccccc4)c3O)c2O,CC(c1ccccc1)c2cc(C)cc(Cc3cc(C)cc(C(C)c4ccccc4)c3O)c2O,"InChI=1/C31H32O2/c1-20-15-26(30(32)28(17-20)22(3)24-11-7-5-8-12-24)19-27-16-21(2)18-29(31(27)33)23(4)25-13-9-6-10-14-25/h5-18,22-23,32-33H,19H2,1-4H3",C31H32O2,,,,,,CKARBJATRQVWJP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.249,247-590-8,26292-98-8,"Dodecyl 4-butyl-4-[[2-(dodecyloxy)-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate","dodecyl 4-butyl-4-{[2-(dodecyloxy)-2-oxoethyl]sulfanyl}-7-oxo-8-oxa-3,5-dithia-4-stannaicosan-1-oate",CCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,"InChI=1/3C14H28O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-4-2;/h3*17H,2-13H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC46H90O6S3Sn/c1-5-9-13-16-19-22-25-28-31-34-37-50-44(47)41-53-56(40-12-8-4,54-42-45(48)51-38-35-32-29-26-23-20-17-14-10-6-2)55-43-46(49)52-39-36-33-30-27-24-21-18-15-11-7-3/h5-43H2,1-4H3",C46H90O6S3Sn,,,,,,XGQTTWHUFMHJMA-UHFFFAOYSA-K,,,,,,,,,,,
100.039.960,243-972-3,20687-53-0,1-(tert-butyl)pyrrolidin-2-one,1-tert-butylpyrrolidin-2-one,CC(C)(C)N1CCCC1=O,CC(C)(C)N1CCCC1=O,"InChI=1/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-6H2,1-3H3",C8H15NO,,,,,,LUVQSCCABURXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.965,243-978-6,20702-77-6,"1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one","3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O,COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O,"InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3",C28H36O15,,,,,,ITVGXXMINPYUHD-CUVHLRMHSA-N,Positive,EA281401|EA281403|EA281404|EA281405|EA281406|EA281407|EA281410|EA281411|EA281412,[M+H]+,CID35|HCD30|HCD45|HCD60|HCD75|HCD90|HCD45|HCD60|HCD75,577.1907:595.2012:451.1587|137.0596:179.0703|137.0597:179.0708|137.0596:122.0356|137.0597|137.0595:122.0362:195.9644|137.0597|137.0595|137.0597:195.9638,Eawag,,,,,
100.039.968,243-981-2,20708-36-5,"[ethane-1,2-diylbis[imino[(2-hydroxyphenyl)methylene]]]bisphosphonic acid","(ethane-1,2-diylbis{imino[(2-hydroxyphenyl)methylene]})bis(phosphonic acid)",Oc1ccccc1C(NCCNC(c2ccccc2O)P(=O)(O)O)P(=O)(O)O,Oc1ccccc1C(NCCNC(c2ccccc2O)P(=O)(O)O)P(=O)(O)O,"InChI=1/C16H22N2O8P2/c19-13-7-3-1-5-11(13)15(27(21,22)23)17-9-10-18-16(28(24,25)26)12-6-2-4-8-14(12)20/h1-8,15-20H,9-10H2,(H2,21,22,23)(H2,24,25,26)",C16H22N2O8P2,,,,,,CDUZXGZLRQGNKP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.970,243-983-3,20716-30-7,Disodium N-(2-carboxyethyl)-N-octadecyl-ß-alaninate,disodium N-(2-carboxyethyl)-N-octadecyl-beta-alaninate,[Na+].[Na+].CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-].CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-].CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],"InChI=1/2C24H47NO4.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29;;/h2*2-22H2,1H3,(H,26,27)(H,28,29);;/q;;2*+1/p-2",C24H47NO4.2Na,,,,,,UHQZTMMQLDLYCG-UHFFFAOYSA-L,,,,,,,,,,,
100.039.971,243-984-9,20717-79-7,1-bromo-2-naphthoic acid,1-bromo-2-naphthoic acid,OC(=O)c1ccc2ccccc2c1Br,OC(=O)c1ccc2ccccc2c1Br,"InChI=1/C11H7BrO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)",C11H7BrO2,,,,,,VUVIRKAVBZITDO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.975,243-989-6,20725-03-5,"trans-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-4-benzopyrone","2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one",OC1C(Oc2cc(O)ccc2C1=O)c3ccc(O)c(O)c3,OC1C(Oc2cc(O)ccc2C1=O)c3ccc(O)c(O)c3,"InChI=1/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H",C15H12O6,,,,,,FNUPUYFWZXZMIE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.978,243-992-2,20728-03-4,a-methylbicyclo[2.2.1]heptane-2-propionaldehyde,3-bicyclo[2.2.1]hept-2-yl-2-methylpropanal,CC(CC1CC2CCC1C2)C=O,CC(CC1CC2CCC1C2)C=O,"InChI=1/C11H18O/c1-8(7-12)4-11-6-9-2-3-10(11)5-9/h7-11H,2-6H2,1H3",C11H18O,,,,,,JZAUTFKKORTMPS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.985,244-000-0,20732-36-9,"2-methoxy-1,4-dioxane","2-methoxy-1,4-dioxane",COC1COCCO1,COC1COCCO1,"InChI=1/C5H10O3/c1-6-5-4-7-2-3-8-5/h5H,2-4H2,1H3",C5H10O3,,,,,,LCQZTTHYFOMGKL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.991,244-006-3,20748-87-2,Hexyl 2-ethylhexanoate,hexyl 2-ethylhexanoate,CCCCCCOC(=O)C(CC)CCCC,CCCCCCOC(=O)C(CC)CCCC,"InChI=1/C14H28O2/c1-4-7-9-10-12-16-14(15)13(6-3)11-8-5-2/h13H,4-12H2,1-3H3",C14H28O2,,,,,,HGJAQCVKJLUCKW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.995,244-011-0,20757-87-3,5-chloropent-1-en-3-one,5-chloropent-1-en-3-one,ClCCC(=O)C=C,ClCCC(=O)C=C,"InChI=1/C5H7ClO/c1-2-5(7)3-4-6/h2H,1,3-4H2",C5H7ClO,,,,,,XLFDSXRUZDTNER-UHFFFAOYSA-N,,,,,,,,,,,
100.042.308,246-555-4,24989-85-3,Diethyl(ethylmethylsilanolato)aluminium,diethyl[ethyl(methyl)silanolato]aluminum,CC[Al](CC)O[Si](C)CC,CC[Al](CC)O[Si](C)CC,"InChI=1/C3H8OSi.2C2H5.Al/c1-3-5(2)4;2*1-2;/h3H2,1-2H3;2*1H2,2H3;/q-1;;;+1/rC7H18AlOSi/c1-5-8(6-2)9-10(4)7-3/h5-7H2,1-4H3",C7H19AlOSi,,,,,,VFUCKRAKEVWGKR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.310,246-558-0,25004-95-9,Trichloromethanesulphinyl chloride,trichloromethanesulfinyl chloride,ClS(=O)C(Cl)(Cl)Cl,ClS(=O)C(Cl)(Cl)Cl,"InChI=1/CCl4OS/c2-1(3,4)7(5)6",CCl4OS,,,,,,XUDFWSSAMJVVCP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.318,246-566-4,25017-08-7,4'-chlorovalerophenone,1-(4-chlorophenyl)pentan-1-one,CCCCC(=O)c1ccc(Cl)cc1,CCCCC(=O)c1ccc(Cl)cc1,"InChI=1/C11H13ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3",C11H13ClO,,,,,,XMUGWCSIQUJOFA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.319,246-568-5,25023-01-2,"9,9-dichloro-9H-fluorene","9,9-dichloro-9H-fluorene",ClC1(Cl)c2ccccc2c3ccccc13,ClC1(Cl)c2ccccc2c3ccccc13,InChI=1/C13H8Cl2/c14-13(15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,C13H8Cl2,,,,,,LSTBDYVWQHHYHU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.223,248-662-1,27798-60-3,Methyl (2-methoxyphenyl)acetate,methyl (2-methoxyphenyl)acetate,COC(=O)Cc1ccccc1OC,COC(=O)Cc1ccccc1OC,"InChI=1/C10H12O3/c1-12-9-6-4-3-5-8(9)7-10(11)13-2/h3-6H,7H2,1-2H3",C10H12O3,,,,,,BNQRSYFOIRGRKV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.232,248-672-6,27817-35-2,Hexahydro-1H-azepine-1-carbonyl chloride,azepane-1-carbonyl chloride,ClC(=O)N1CCCCCC1,ClC(=O)N1CCCCCC1,InChI=1/C7H12ClNO/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2,C7H12ClNO,,,,,,VCZFCDMBZCEPFV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.235,248-675-2,27818-21-9,"3-[(2,6-dichlorophenyl)methylene]-N-hydroxycarbazamidine hydrochloride","2-(2,6-dichlorobenzylidene)-N-hydroxyhydrazinecarboximidamide hydrochloride",Cl.Clc1cccc(Cl)c1C=NNC(=N)NO,Cl.Clc1cccc(Cl)c1C=NNC(=N)NO,"InChI=1/C8H8Cl2N4O.ClH/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15;/h1-4,15H,(H3,11,13,14);1H",C8H8Cl2N4O.xClH,,,,,,PQPZROSFRCBPIM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.240,248-681-5,27829-72-7,Ethyl (E)hex-2-enoate,ethyl hex-2-enoate,CCCC=CC(=O)OCC,CCCC=CC(=O)OCC,"InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3",C8H14O2,,,,,,SJRXWMQZUAOMRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.241,248-682-0,27833-64-3,"Succinic acid, compound with 2-chloro-11-(4-methylpiperazin-1-yl)dibenz[b,f][1,4]oxazepine (1:1)","2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine succinate",CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24.OC(=O)CCC(=O)O,CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24.OC(=O)CCC(=O)O,"InChI=1/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)",C18H18ClN3O.C4H6O4,,,,,,YQZBAXDVDZTKEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.243,248-684-1,27836-52-8,tert-butyl isononaneperoxoate,tert-butyl 7-methyloctaneperoxoate,CC(C)CCCCCC(=O)OOC(C)(C)C,CC(C)CCCCCC(=O)OOC(C)(C)C,"InChI=1/C13H26O3/c1-11(2)9-7-6-8-10-12(14)15-16-13(3,4)5/h11H,6-10H2,1-5H3",C13H26O3,,,,,,ZUSDEBDNDIJDMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.247,248-688-3,27841-06-1,"2,2-dimethyl-1,3-propanediyl didecanoate","2,2-dimethylpropane-1,3-diyl didecanoate",CCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCC,"InChI=1/C25H48O4/c1-5-7-9-11-13-15-17-19-23(26)28-21-25(3,4)22-29-24(27)20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3",C25H48O4,,,,,,BJDAUCLANVMIOB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.501,250-067-7,30135-65-0,Isocyanatonaphthalene,1-isocyanatonaphthalene,O=C=Nc1cccc2ccccc12,O=C=Nc1cccc2ccccc12,InChI=1/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,C11H7NO,,,,,,BDQNKCYCTYYMAA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.502,250-068-2,30135-95-6,8-hydroxy-7-iodoquinolinesulphonic acid,8-hydroxy-7-iodoquinoline-2-sulfonic acid,Oc1c(I)ccc2ccc(nc12)S(=O)(=O)O,Oc1c(I)ccc2ccc(nc12)S(=O)(=O)O,"InChI=1/C9H6INO4S/c10-6-3-1-5-2-4-7(16(13,14)15)11-8(5)9(6)12/h1-4,12H,(H,13,14,15)",C9H6INO4S,,,,,,FZTIYEMFMFVAMK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.511,250-078-7,30168-23-1,"4-(tricyclo[5.2.1.02,6]dec-8-ylidene)butyraldehyde","4-(octahydro-5H-4,7-methanoinden-5-ylidene)butanal",O=CCCC=C1CC2CC1C3CCCC23,O=CCCC=C1CC2CC1C3CCCC23,"InChI=1/C14H20O/c15-7-2-1-4-10-8-11-9-14(10)13-6-3-5-12(11)13/h4,7,11-14H,1-3,5-6,8-9H2",C14H20O,,,,,,WFEISWUNAJPLRX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.977,245-092-5,22570-84-9,1-(chloromethyl)-2-vinylbenzene,1-(chloromethyl)-2-vinylbenzene,ClCc1ccccc1C=C,ClCc1ccccc1C=C,"InChI=1/C9H9Cl/c1-2-8-5-3-4-6-9(8)7-10/h2-6H,1,7H2",C9H9Cl,,,,,,KKLSEIIDJBCSRK-UHFFFAOYSA-N,,,,,,,,,,,
100.020.439,222-481-8,3488-53-7,4-[4-(isopropyl)phenyl]-3-methylbut-3-en-2-one,4-(4-isopropylphenyl)-3-methylbut-3-en-2-one,CC(C)c1ccc(C=C(C)C(C)=O)cc1,CC(C)c1ccc(C=C(C)C(C)=O)cc1,"InChI=1/C14H18O/c1-10(2)14-7-5-13(6-8-14)9-11(3)12(4)15/h5-10H,1-4H3",C14H18O,,,,,,WBHFPFIOLVKAIH-UHFFFAOYSA-N,,,,,,,,,,,
100.020.449,222-492-8,3495-36-1,Cesium formate,caesium formate,[Cs]OC=O,[Cs]OC=O,"InChI=1/CH2O2.Cs/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/rCHCsO2/c2-4-1-3/h1H",CH2O2.Cs,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17253,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.449,ATZQZZAXOPPAAQ-UHFFFAOYSA-M,,,,,,,,,,,
100.020.454,222-498-0,3505-38-2,Carbinoxamine hydrogen maleate,"2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]-N,N-dimethylethanamine but-2-enedioate",OC(=O)C=CC(O)=O.Clc1ccc(cc1)C(OCCN(C)C)c2ccccn2,OC(=O)C=CC(O)=O.Clc1ccc(cc1)C(OCCN(C)C)c2ccccn2,"InChI=1/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C16H19ClN2O.C4H4O4,,,,,,GVNWHCVWDRNXAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.457,222-502-0,3506-36-3,3-(dimethylamino)propiophenone,1-[3-(dimethylamino)phenyl]propan-1-one,CCC(=O)c1cccc(c1)N(C)C,CCC(=O)c1cccc(c1)N(C)C,"InChI=1/C11H15NO/c1-4-11(13)9-6-5-7-10(8-9)12(2)3/h5-8H,4H2,1-3H3",C11H15NO,,,,,,NOANEDGYLQSWGY-UHFFFAOYSA-N,,,,,,,,,,,
100.020.459,222-504-1,2/08/3507,5-formyl-3-methoxysalicylic acid,5-formyl-2-hydroxy-3-methoxybenzoic acid,COc1cc(C=O)cc(C(=O)O)c1O,COc1cc(C=O)cc(C(=O)O)c1O,"InChI=1/C9H8O5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3,(H,12,13)",C9H8O5,,,,,,YFDQSVBNFNFXGF-UHFFFAOYSA-N,,,,,,,,,,,
100.020.461,222-506-2,3508-00-7,1-bromoheptadecane,1-bromoheptadecane,CCCCCCCCCCCCCCCCCBr,CCCCCCCCCCCCCCCCCBr,"InChI=1/C17H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-17H2,1H3",C17H35Br,,,,,,HHSDZLLPIXMEIU-UHFFFAOYSA-N,,,,,,,,,,,
100.020.462,222-507-8,8/01/3508,Silver(1+) palmitate,silver(1+) palmitate,[Ag+].CCCCCCCCCCCCCCCC(=O)[O-],[Ag+].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C16H32O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1",C16H32O2.Ag,,,,,,LTYHQUJGIQUHMS-UHFFFAOYSA-M,,,,,,,,,,,
100.020.474,222-520-9,3516-65-2,4-(4-methoxyphenyl)furan-2(5H)-one,4-(4-methoxyphenyl)furan-2(5H)-one,COc1ccc(cc1)C2=CC(=O)OC2,COc1ccc(cc1)C2=CC(=O)OC2,"InChI=1/C11H10O3/c1-13-10-4-2-8(3-5-10)9-6-11(12)14-7-9/h2-6H,7H2,1H3",C11H10O3,,,,,,HQVKPLUNUVUKBI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.017,222-017-4,8/04/3319,2-(piperidin-1-yl)cyclohexan-1-one,2-piperidin-1-ylcyclohexanone,O=C1CCCCC1N2CCCCC2,O=C1CCCCC1N2CCCCC2,"InChI=1/C11H19NO/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12/h10H,1-9H2",C11H19NO,,,,,,FPXOYKASIBOVAL-UHFFFAOYSA-N,,,,,,,,,,,
100.020.019,222-020-0,3319-31-1,"Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate","tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate",CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(c1)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(c1)C(=O)OCC(CC)CCCC,"InChI=1/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3",C33H54O6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14933,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.019,KRADHMIOFJQKEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.021,222-022-1,3319-99-1,2-(2-thienyl)pyridine,2-(2-thienyl)pyridine,c1ccc(nc1)c2cccs2,c1ccc(nc1)c2cccs2,InChI=1/C9H7NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-7H,C9H7NS,,,,,,QLPKTAFPRRIFQX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.034,222-036-8,3322-93-8,"1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane","1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane",BrCC(Br)C1CCC(Br)C(Br)C1,BrCC(Br)C1CCC(Br)C(Br)C1,"InChI=1/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2",C8H12Br4,,,,,,PQRRSJBLKOPVJV-UHFFFAOYSA-N,,,,,,,,,,,
100.020.036,222-038-9,3324-58-1,Sodium picrate,"sodium 2,4,6-trinitrophenolate",[Na+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Na+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O7.Na/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;/q;+1/p-1",C6H3N3O7.Na,,,,,,ZVUUCUFDAHKLKT-UHFFFAOYSA-M,,,,,,,,,,,
100.020.039,222-042-0,3326-32-7,2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)-5-isothiocyanatobenzoic acid,"3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1,Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1,"InChI=1/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H",C21H11NO5S,,,,,,MHMNJMPURVTYEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.041,222-044-1,3326-63-4,(S)-a-amino-N-2-naphthyl-1H-indole-3-propionamide,N-2-naphthyltryptophanamide,NC(Cc1c[nH]c2ccccc12)C(=O)Nc3ccc4ccccc4c3,NC(Cc1c[nH]c2ccccc12)C(=O)Nc3ccc4ccccc4c3,"InChI=1/C21H19N3O/c22-19(12-16-13-23-20-8-4-3-7-18(16)20)21(25)24-17-10-9-14-5-1-2-6-15(14)11-17/h1-11,13,19,23H,12,22H2,(H,24,25)",C21H19N3O,,,,,,FVGGFBMEWGARAX-UHFFFAOYSA-N,,,,,,,,,,,
100.020.044,222-047-8,3326-90-7,3-chloro-2-hydroxypropyl acrylate,3-chloro-2-hydroxypropyl acrylate,OC(CCl)COC(=O)C=C,OC(CCl)COC(=O)C=C,"InChI=1/C6H9ClO3/c1-2-6(9)10-4-5(8)3-7/h2,5,8H,1,3-4H2",C6H9ClO3,,,,,,POTYORUTRLSAGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.311,246-559-6,25005-42-9,"2-amino-2-ethylpropane-1,3-diol hydrochloride","2-amino-2-ethylpropane-1,3-diol hydrochloride",Cl.CCC(N)(CO)CO,Cl.CCC(N)(CO)CO,"InChI=1/C5H13NO2.ClH/c1-2-5(6,3-7)4-8;/h7-8H,2-4,6H2,1H3;1H",C5H13NO2.ClH,,,,,,HTARHDWAJRFYCH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.312,246-560-1,25005-95-2,"2,3-dihydro-5,6-di(2-pyridyl)pyrazine","5,6-dipyridin-2-yl-2,3-dihydropyrazine",C1CN=C(C(=N1)c2ccccn2)c3ccccn3,C1CN=C(C(=N1)c2ccccn2)c3ccccn3,"InChI=1/C14H12N4/c1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12/h1-8H,9-10H2",C14H12N4,,,,,,QGRHYAPZGPPUEM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.321,246-570-6,25025-59-6,2-acetylthioethyltrimethylammonium bromide,"2-(acetylsulfanyl)-N,N,N-trimethylethanaminium bromide",[Br-].CC(=O)SCC[N+](C)(C)C,[Br-].CC(=O)SCC[N+](C)(C)C,"InChI=1/C7H16NOS.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",C7H16NOS.Br,,,,,,HQAPREJURVMGMB-UHFFFAOYSA-M,,,,,,,,,,,
100.044.225,248-664-2,27805-39-6,4-methoxy-a-pyridylbenzyl alcohol,(4-methoxyphenyl)(pyridin-2-yl)methanol,COc1ccc(cc1)C(O)c2ccccn2,COc1ccc(cc1)C(O)c2ccccn2,"InChI=1/C13H13NO2/c1-16-11-7-5-10(6-8-11)13(15)12-4-2-3-9-14-12/h2-9,13,15H,1H3",C13H13NO2,,,,,,OQFKODRWEHYZQP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.230,248-670-5,27816-23-5,2-methoxyethyl 2-cyanoacrylate,2-methoxyethyl 2-cyanoacrylate,COCCOC(=O)C(=C)C#N,COCCOC(=O)C(=C)C#N,"InChI=1/C7H9NO3/c1-6(5-8)7(9)11-4-3-10-2/h1,3-4H2,2H3",C7H9NO3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12706,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.230,JYTXVMYBYRTJTI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.504,250-070-3,30137-97-4,Isooctyl hydrogen maleate,4-[(6-methylheptyl)oxy]-4-oxobut-2-enoic acid,CC(C)CCCCCOC(=O)C=CC(=O)O,CC(C)CCCCCOC(=O)C=CC(=O)O,"InChI=1/C12H20O4/c1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)",C12H20O4,,,,,,FDNBQVCBHKEDOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.510,250-077-1,30165-96-9,"4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine","4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine",Clc1nsnc1N2CCOCC2,Clc1nsnc1N2CCOCC2,InChI=1/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2,C6H8ClN3OS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18258,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.510,LAUCCQWGVCJGFT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.512,250-079-2,30170-00-4,1-[(phosphonooxy)methyl]ethylene dimyristate,"3-(phosphonooxy)propane-1,2-diyl ditetradecanoate",CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC,"InChI=1/C31H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)",C31H61O8P,,,,,,OZSITQMWYBNPMW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.519,250-087-6,30189-91-4,N-dodecyl-N-methylaniline,N-dodecyl-N-methylaniline,CCCCCCCCCCCCN(C)c1ccccc1,CCCCCCCCCCCCN(C)c1ccccc1,"InChI=1/C19H33N/c1-3-4-5-6-7-8-9-10-11-15-18-20(2)19-16-13-12-14-17-19/h12-14,16-17H,3-11,15,18H2,1-2H3",C19H33N,,,,,,GOJIVVWJAXAPGS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.974,245-088-3,22568-64-5,(±)-N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide,N-{3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide,CC(C)NCC(O)COc1ccc(NC(=O)C)cc1C(=O)C,CC(C)NCC(O)COc1ccc(NC(=O)C)cc1C(=O)C,"InChI=1/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)",C16H24N2O4,,,,,,AWOGXJOBNAWQSF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.989,245-104-9,22582-68-9,1-(1H-indol-3-yl)propan-1-one,1-(1H-indol-3-yl)propan-1-one,CCC(=O)c1c[nH]c2ccccc12,CCC(=O)c1c[nH]c2ccccc12,"InChI=1/C11H11NO/c1-2-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3",C11H11NO,,,,,,KMVYYLYKRGELJE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.990,245-105-4,22583-29-5,"1,1-dimethylguanidinium chloride","amino(imino)-N,N-dimethylmethanaminium chloride",[Cl-].C[NH+](C)C(=N)N,[Cl-].C[NH+](C)C(=N)N,"InChI=1/C3H9N3.ClH/c1-6(2)3(4)5;/h1-2H3,(H3,4,5);1H",C3H9N3.ClH,,,,,,NQQVLNFSVPLPII-UHFFFAOYSA-N,,,,,,,,,,,
100.040.995,245-111-7,22591-21-5,"1,1-dichloro-3,3-dimethylbutan-2-one","1,1-dichloro-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)C(Cl)Cl,CC(C)(C)C(=O)C(Cl)Cl,"InChI=1/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3",C6H10Cl2O,,,,,,UDWZXMQIEHAAQT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.996,245-112-2,22592-15-0,1-chloropent-2-yne,1-chloropent-2-yne,CCC#CCCl,CCC#CCCl,"InChI=1/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3",C5H7Cl,,,,,,JBKXDMAPOZZDCE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.638,246-918-7,25377-76-8,Dihydrothiazole-2-thiol,"4,5-dihydro-1,3-thiazole-2-thiol",SC1=NCCS1,SC1=NCCS1,"InChI=1/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",C3H5NS2,,,,,,WGJCBBASTRWVJL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.640,246-920-8,25377-83-7,Octene,oct-1-ene,CCCCCCC=C,CCCCCCC=C,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",C8H16,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12223,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.640,KWKAKUADMBZCLK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.449,250-010-6,30043-49-3,"1-(5-ethylsulphonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea","1-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea",CCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC,CCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC,"InChI=1/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)",C7H12N4O3S2,,,,,,KCOCSOWTADCKOL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.256,245-398-9,23050-91-1,4-(dimethylamino)salicylic acid,4-(dimethylamino)-2-hydroxybenzoic acid,CN(C)c1ccc(C(=O)O)c(O)c1,CN(C)c1ccc(C(=O)O)c(O)c1,"InChI=1/C9H11NO3/c1-10(2)6-3-4-7(9(12)13)8(11)5-6/h3-5,11H,1-2H3,(H,12,13)",C9H11NO3,,,,,,SJIDPEUJSIWFAE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.257,245-399-4,23054-59-3,N-(2-hydroxypropyl)hexanamide,N-(2-hydroxypropyl)hexanamide,CCCCCC(=O)NCC(C)O,CCCCCC(=O)NCC(C)O,"InChI=1/C9H19NO2/c1-3-4-5-6-9(12)10-7-8(2)11/h8,11H,3-7H2,1-2H3,(H,10,12)",C9H19NO2,,,,,,WEJHDPCZRFVRCX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.260,245-402-9,23056-29-3,N-phenylpiperidin-4-amine,N-phenylpiperidin-4-amine,C1CC(CCN1)Nc2ccccc2,C1CC(CCN1)Nc2ccccc2,"InChI=1/C11H16N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-13H,6-9H2",C11H16N2,,,,,,LKRMTUUCKBQGFO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.263,245-406-0,23063-65-2,1-chloro-4-(2-methylallyl)benzene,1-chloro-4-(2-methylprop-2-en-1-yl)benzene,CC(=C)Cc1ccc(Cl)cc1,CC(=C)Cc1ccc(Cl)cc1,"InChI=1/C10H11Cl/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3",C10H11Cl,,,,,,VLIILLUQCKLPLB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.265,245-408-1,23067-16-5,"N,N'-bis(2,4-dinitrophenyl)-L-cysteine","N,N'-bis(2,4-dinitrophenyl)cystine",OC(=O)C(CSSCC(Nc1ccc(cc1N(=O)=O)N(=O)=O)C(=O)O)Nc2ccc(cc2N(=O)=O)N(=O)=O,OC(=O)C(CSSCC(Nc1ccc(cc1N(=O)=O)N(=O)=O)C(=O)O)Nc2ccc(cc2N(=O)=O)N(=O)=O,"InChI=1/C18H16N6O12S2/c25-17(26)13(19-11-3-1-9(21(29)30)5-15(11)23(33)34)7-37-38-8-14(18(27)28)20-12-4-2-10(22(31)32)6-16(12)24(35)36/h1-6,13-14,19-20H,7-8H2,(H,25,26)(H,27,28)",C18H16N6O12S2,,,,,,UMGXLEJJKAWCHT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.270,245-413-9,23074-42-2,"Tricyclo[3.3.1.13,7]decane-1-carbonitrile",adamantane-1-carbonitrile,N#CC12CC3CC(CC(C3)C1)C2,N#CC12CC3CC(CC(C3)C1)C2,"InChI=1/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2",C11H15N,,,,,,FQFZASRJFRAEIH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.285,245-430-1,23103-98-2,Pirimicarb,"2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate",CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C,CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C,InChI=1/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3,C11H18N4O2,,,,,,YFGYUFNIOHWBOB-UHFFFAOYSA-N,Positive,SM841701;EA271101|EA271102|EA271103|EA271104|EA271105|EA271106|EA271107|EA271108|EA271109|EA271110|EA271111|EA271112|EA271113|EA271114;UF403901|UF403902|UF403903|UF403904,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,72.0445:239.1503:182.1289;182.129:195.1606:72.0444|239.1505:182.129:72.0441|239.1499:182.1288:72.0444|72.0445:182.1289:239.1511|72.0444:182.1287:85.076|72.0445:85.076:109.076|72.0445:109.0761:85.076|239.1504:182.1288:72.0442|239.1505:182.1289:72.0445|72.0445:182.1289:239.1494|72.0444:182.1289:85.076|72.0445:85.0761:182.129|72.0444:109.0761:85.0761|182.1289:195.1605:72.0444;72.0442:182.1286:85.0759|72.0442:109.0758:85.0759|182.1287:195.1603:239.1502|182.1287:195.1603:72.0443,CASMI_2016;Eawag;UFZ,,,,,
100.041.288,245-433-8,23110-15-8,Fumagillin,"10-hydroxy-10-({5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-yl}oxy)deca-2,4,6,8-tetraenoic acid",OC(=O)C=CC=CC=CC=CC(O)O[C@@H]2CC[C@]1(CO1)[C@H]([C@@H]2OC)[C@@]3(C)O[C@@H]3C\\C=C(/C)C,OC(=O)C=CC=CC=CC=CC(O)O[C@@H]2CC[C@]1(CO1)[C@H]([C@@H]2OC)[C@@]3(C)O[C@@H]3C\C=C(/C)C,"InChI=1/C26H36O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,22-24,29H,14-17H2,1-4H3,(H,27,28)",C26H34O7,,,,,,HYDDLYZENQNVRO-CJRMDEJCSA-N,,,,,,,,,,,
100.041.289,245-434-3,23117-23-9,4-[(tolyl)amino]benzenesulphonic acid,4-(benzylamino)benzenesulfonic acid,OS(=O)(=O)c1ccc(NCc2ccccc2)cc1,OS(=O)(=O)c1ccc(NCc2ccccc2)cc1,"InChI=1/C13H13NO3S/c15-18(16,17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,15,16,17)",C13H13NO3S,,,,,,LJPQSZVZLDUAQO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.291,245-436-4,23119-03-1,"Diisocyanic acid, diester with 4,5-dihexyl-6-(10-hydroxydec-1-enyl)cyclohex-2-ene-1-octanol","3,4-dihexyl-5-(10-isocyanatodec-1-en-1-yl)-6-(8-isocyanatooctyl)cyclohexene",CCCCCCC1C=CC(CCCCCCCCN=C=O)C(C=CCCCCCCCCN=C=O)C1CCCCCC,CCCCCCC1C=CC(CCCCCCCCN=C=O)C(C=CCCCCCCCCN=C=O)C1CCCCCC,"InChI=1/C38H66N2O2/c1-3-5-7-19-25-35-29-30-36(26-20-15-12-14-18-24-32-40-34-42)38(37(35)27-21-8-6-4-2)28-22-16-11-9-10-13-17-23-31-39-33-41/h22,28-30,35-38H,3-21,23-27,31-32H2,1-2H3",C38H66N2O2,,,,,,NCFRKFKOROVDAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.300,245-446-9,23138-50-3,p-ethylphenyl isocyanate,1-ethyl-4-isocyanatobenzene,CCc1ccc(cc1)N=C=O,CCc1ccc(cc1)N=C=O,"InChI=1/C9H9NO/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3",C9H9NO,,,,,,FWPYUSLQCQDLJR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.301,245-447-4,23141-61-9,6-methyl-5-nitroquinoline,6-methyl-5-nitroquinoline,Cc1ccc2ncccc2c1[N+](=O)[O-],Cc1ccc2ncccc2c1[N+](=O)[O-],"InChI=1/C10H8N2O2/c1-7-4-5-9-8(3-2-6-11-9)10(7)12(13)14/h2-6H,1H3",C10H8N2O2,,,,,,CENBTULRDDPOGR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.129,250-758-3,31676-23-0,"Sodium S-[2-[[[4-[[1-[[(2,4-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]sulphonyl]amino]ethyl] thiosulphate","sodium S-[2-({[4-({1-[(2,4-dimethoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)phenyl]sulfonyl}amino)ethyl] thiosulfate",[Na+].COc2cc(ccc2NC(=O)C(N=Nc1ccc(cc1)S(=O)(=O)NCCSS([O-])(=O)=O)C(C)=O)OC,[Na+].COc2cc(ccc2NC(=O)C(N=Nc1ccc(cc1)S(=O)(=O)NCCSS([O-])(=O)=O)C(C)=O)OC,"InChI=1/C20H24N4O9S3.Na/c1-13(25)19(20(26)22-17-9-6-15(32-2)12-18(17)33-3)24-23-14-4-7-16(8-5-14)35(27,28)21-10-11-34-36(29,30)31;/h4-9,12,19,21H,10-11H2,1-3H3,(H,22,26)(H,29,30,31);/q;+1/p-1",C20H24N4O9S3.Na,,,,,,UCWALYFQJRFGBX-UHFFFAOYSA-M,,,,,,,,,,,
100.046.131,250-760-4,31680-07-6,3-nitro-p-tolualdehyde,4-methyl-3-nitrobenzaldehyde,Cc1ccc(C=O)cc1[N+](=O)[O-],Cc1ccc(C=O)cc1[N+](=O)[O-],"InChI=1/C8H7NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5H,1H3",C8H7NO3,,,,,,KHWGAWBXQOKXIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.981,245-096-7,22573-93-9,Alexidine,"N',N'''''-hexane-1,6-diylbis[N-(2-ethylhexyl)(imidodicarbonimidic diamide)]",CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC,CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC,"InChI=1/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36)",C26H56N10,,,,,,LFVVNPBBFUSSHL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.982,245-097-2,22575-27-5,Cholest-5-en-3ß-yl p-chlorobenzoate,cholest-5-en-3-yl 4-chlorobenzoate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(Cl)cc5,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(Cl)cc5,"InChI=1/C34H49ClO2/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(37-32(36)24-9-12-26(35)13-10-24)17-19-33(25,4)31(28)18-20-34(29,30)5/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3",C34H49ClO2,,,,,,LOSYTXYCFKYHMJ-AESKLMAPSA-N,,,,,,,,,,,
100.042.626,246-905-6,25371-55-5,Methyl hydrogen octadecylphosphonate,methyl hydrogen octadecylphosphonate,CCCCCCCCCCCCCCCCCCP(=O)(O)OC,CCCCCCCCCCCCCCCCCCP(=O)(O)OC,"InChI=1/C19H41O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h3-19H2,1-2H3,(H,20,21)",C19H41O3P,,,,,,OFTHYJZWGCWWPT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.629,246-908-2,25374-11-2,"1-chloro-N,N-dimethyl-1,1-diphenylsilylamine","1-chloro-N,N-dimethyl-1,1-diphenylsilanamine",CN(C)[Si](Cl)(c1ccccc1)c2ccccc2,CN(C)[Si](Cl)(c1ccccc1)c2ccccc2,"InChI=1/C14H16ClNSi/c1-16(2)17(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3",C14H16ClNSi,,,,,,XBQPHUAUIRYNJR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.631,246-910-3,25376-45-8,Diaminotoluene,"3-methylbenzene-1,2-diamine",Cc1cccc(N)c1N,Cc1cccc(N)c1N,"InChI=1/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3",C7H10N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15030,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.631,AXNUJYHFQHQZBE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.632,246-911-9,25377-21-3,Di-tert-butyl-p-cresol,"2,6-di-tert-butyl-4-methylphenol",Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3",C15H24O,,,,,,NLZUEZXRPGMBCV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.633,246-912-4,25377-46-2,Heptenoic acid,hept-2-enoic acid,CCCCC=CC(O)=O,CCCCC=CC(O)=O,"InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)",C7H12O2,,,,,,YURNCBVQZBJDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.634,246-914-5,25377-64-4,"N,N-bis(2-hydroxyethyl)undecenamide","N,N-bis(2-hydroxyethyl)undec-10-enamide",O=C(CCCCCCCCC=C)N(CCO)CCO,O=C(CCCCCCCCC=C)N(CCO)CCO,"InChI=1/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h2,17-18H,1,3-14H2",C15H29NO3,,,,,,NGENVFQAIKEQNS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.635,246-915-0,25377-70-2,Octadecenylammonium acetate,octadec-1-en-1-aminium acetate,[O-]C(C)=O.[NH3+]C=CCCCCCCCCCCCCCCCC,[O-]C(C)=O.[NH3+]C=CCCCCCCCCCCCCCCCC,"InChI=1/C18H37N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h17-18H,2-16,19H2,1H3;1H3,(H,3,4)",C18H37N.C2H4O2,,,,,,ZDAZKCCRAIYMNO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.642,246-922-9,25378-22-7,Dodecene,dodec-1-ene,CCCCCCCCCCC=C,CCCCCCCCCCC=C,"InChI=1/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3",C12H24,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2033,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.642,CRSBERNSMYQZNG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.643,246-923-4,25378-64-7,[2-[(cyclohexylphenylacetyl)oxy]ethyl]diethylmethylammonium bromide,"2-[2-cyclohexyl(phenyl)acetoxy]-N,N-diethyl-N-methylethanaminium bromide",[Br-].CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2,[Br-].CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2,"InChI=1/C21H34NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19-20H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1",C21H34NO2.Br,,,,,,FYRDBUULLGFMLL-UHFFFAOYSA-M,,,,,,,,,,,
100.042.646,246-927-6,25380-61-4,"4-chloro-1,2-benzisothiazole","4-chloro-1,2-benzisothiazole",Clc1cccc2sncc12,Clc1cccc2sncc12,InChI=1/C7H4ClNS/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,C7H4ClNS,,,,,,DHLIRMWNYRKKPN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.647,246-928-1,25383-06-6,cis-propenylphosphonic acid,prop-1-en-1-ylphosphonic acid,CC=CP(O)(O)=O,CC=CP(O)(O)=O,"InChI=1/C3H7O3P/c1-2-3-7(4,5)6/h2-3H,1H3,(H2,4,5,6)",C3H7O3P,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6103,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.647,XWCIXXXLOAAWPU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.648,246-929-7,25383-99-7,Sodium 2-stearoyllactate,sodium 2-hydroxy-2-methyl-3-oxoicosanoate,[Na+].CCCCCCCCCCCCCCCCCC(=O)C(C)(O)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)C(C)(O)C(=O)[O-],"InChI=1/C21H40O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21(2,25)20(23)24;/h25H,3-18H2,1-2H3,(H,23,24);/q;+1/p-1",C24H44O6.Na,,,,,,ZJJXQJFMVZUHGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.445,250-005-9,30030-25-2,(chloromethyl)vinylbenzene,1-(chloromethyl)-4-vinylbenzene,ClCc1ccc(C=C)cc1,ClCc1ccc(C=C)cc1,"InChI=1/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2",C9H9Cl,,,,,,ZRZHXNCATOYMJH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.447,250-008-5,30033-41-1,Sodium (+)-6-methoxy-2-naphthylpropionate,sodium 2-(6-methoxy-2-naphthyl)propanoate,[Na+].COc1ccc2cc(ccc2c1)C(C)C(=O)[O-],[Na+].COc1ccc2cc(ccc2c1)C(C)C(=O)[O-],"InChI=1/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1",C14H14O3.Na,,,,,,CDBRNDSHEYLDJV-UHFFFAOYSA-M,,,,,,,,,,,
100.020.053,222-057-2,3331-60-0,2-chloro-2-methylpropiononitrile,2-chloro-2-methylpropanenitrile,CC(C)(Cl)C#N,CC(C)(Cl)C#N,"InChI=1/C4H6ClN/c1-4(2,5)3-6/h1-2H3",C4H6ClN,,,,,,AMAFFZUDKROYAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.056,222-060-9,3332-29-4,O-ethylhydroxylamine hydrochloride,(aminooxy)ethane hydrochloride,Cl.CCON,Cl.CCON,"InChI=1/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H",C2H7NO.ClH,,,,,,NUXCOKIYARRTDC-UHFFFAOYSA-N,,,,,,,,,,,
100.020.058,222-063-5,3333-13-9,p-allyltoluene,1-allyl-4-methylbenzene,Cc1ccc(CC=C)cc1,Cc1ccc(CC=C)cc1,"InChI=1/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3",C10H12,,,,,,WAEOXIOXMKNFLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.020.059,222-064-0,3333-14-0,"2,3-diphenylpropiononitrile","2,3-diphenylpropanenitrile",N#CC(Cc1ccccc1)c2ccccc2,N#CC(Cc1ccccc1)c2ccccc2,"InChI=1/C15H13N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2",C15H13N,,,,,,DRONDEZXOJEUGU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.836,244-937-5,22364-68-7,o-tolylacetonitrile,(2-methylphenyl)acetonitrile,Cc1ccccc1CC#N,Cc1ccccc1CC#N,"InChI=1/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3",C9H9N,,,,,,WMGVPDQNPUQRND-UHFFFAOYSA-N,,,,,,,,,,,
100.040.841,244-942-2,22374-89-6,1-methyl-3-phenylpropylamine,4-phenylbutan-2-amine,CC(N)CCc1ccccc1,CC(N)CCc1ccccc1,"InChI=1/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3",C10H15N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18522,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.841,WECUIGDEWBNQJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.843,244-944-3,22378-84-3,Titanium(3+) propan-2-olate,titanium(3+) tripropan-2-olate,[Ti+3].CC(C)[O-].CC(C)[O-].CC(C)[O-],[Ti+3].CC(C)[O-].CC(C)[O-].CC(C)[O-],"InChI=1/3C3H7O.Ti/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",C3H8O.1/3Ti,,,,,,KBHBDZQAQRNXRB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.849,244-951-1,22393-88-0,Icosyl oleate,icosyl octadec-9-enoate,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22H,3-17,19-21,23-37H2,1-2H3",C38H74O2,,,,,,HKJBUPVMFYBSHI-PYCFMQQDSA-N,,,,,,,,,,,
100.040.850,244-952-7,22393-96-0,Octadec-9-enyl icosanoate,octadec-9-en-1-yl icosanoate,CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC,CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-37H2,1-2H3",C38H74O2,,,,,,HWRYIWKGLJIMLG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.852,244-954-8,22397-33-7,"3,3,6,6,9,9-hexamethyl-1,2,4,5-tetroxonane","3,3,6,6,9,9-hexamethyl-1,2,4,5-tetroxonane",CC1(C)CCC(C)(C)OOC(C)(C)OO1,CC1(C)CCC(C)(C)OOC(C)(C)OO1,"InChI=1/C11H22O4/c1-9(2)7-8-10(3,4)13-15-11(5,6)14-12-9/h7-8H2,1-6H3",C11H22O4,,,,,,QRIQYQXNFSXNGR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.856,244-959-5,22398-80-7,Indium phosphide,phosphinidyneindium,P#[In],P#[In],InChI=1/In.P/rInP/c1-2,InP,,,,,,GPXJNWSHGFTCBW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.862,244-965-8,22411-53-6,"4,6-disulphoisophthalic acid","4,6-disulfoisophthalic acid",OC(=O)c1cc(C(=O)O)c(cc1S(=O)(=O)O)S(=O)(=O)O,OC(=O)c1cc(C(=O)O)c(cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C8H6O10S2/c9-7(10)3-1-4(8(11)12)6(20(16,17)18)2-5(3)19(13,14)15/h1-2H,(H,9,10)(H,11,12)(H,13,14,15)(H,16,17,18)",C8H6O10S2,,,,,,QZVPBBKGFDYOJB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.864,244-967-9,22413-00-9,Icosyl myristate,icosyl myristate,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,"InChI=1/C34H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-14-12-10-8-6-4-2/h3-33H2,1-2H3",C34H68O2,,,,,,SIRGJSXHZWCMOB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.867,244-971-0,22413-03-2,Docosyl stearate,docosyl stearate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3",C40H80O2,,,,,,SRKUMCYSWLWLLS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.501,246-767-7,25264-32-8,Sodium 3-[(phenylsulphonyl)amino]propanesulphonate,sodium 3-[(phenylsulfonyl)amino]propane-1-sulfonate,[Na+].[O-]S(=O)(=O)CCCNS(=O)(=O)c1ccccc1,[Na+].[O-]S(=O)(=O)CCCNS(=O)(=O)c1ccccc1,"InChI=1/C9H13NO5S2.Na/c11-16(12,13)8-4-7-10-17(14,15)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,11,12,13);/q;+1/p-1",C9H13NO5S2.Na,,,,,,FYPGEZDJXUJJJG-UHFFFAOYSA-M,,,,,,,,,,,
100.042.502,246-768-2,25264-93-1,Hexene,hex-1-ene,CCCCC=C,CCCCC=C,"InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",C6H12,,,,,,LIKMAJRDDDTEIG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.505,246-771-9,25265-77-4,"Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol","3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate",CC(C)C(O)C(C)(C)COC(=O)C(C)C,CC(C)C(O)C(C)(C)COC(=O)C(C)C,"InChI=1/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3",C12H24O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14126,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.505,DAFHKNAQFPVRKR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.461,248-924-5,28249-77-6,S-4-chlorobenzyl diethylthiocarbamate,S-(4-chlorobenzyl) diethylthiocarbamate,CCN(CC)C(=O)SCc1ccc(Cl)cc1,CCN(CC)C(=O)SCc1ccc(Cl)cc1,"InChI=1/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3",C12H16ClNOS,,,,,,QHTQREMOGMZHJV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.451,250-012-7,30044-51-0,S-(tert-butylthio)-L-cysteine,N-(tert-butylsulfanyl)-L-cysteine,CC(C)(C)SN[C@@H](CS)C(=O)O,CC(C)(C)SN[C@@H](CS)C(=O)O,"InChI=1/C7H15NO2S2/c1-7(2,3)12-8-5(4-11)6(9)10/h5,8,11H,4H2,1-3H3,(H,9,10)",C7H15NO2S2,,,,,,AZLKLYCSUAIZIQ-YFKPBYRVSA-N,,,,,,,,,,,
100.045.453,250-014-8,30046-31-2,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C14H4F25I/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2",C14H4F25I,,,,,,DBXLDZXWSFMBRB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.460,250-022-1,30069-74-0,7-nitro-3-phenyl-1-naphthol,7-nitro-3-phenyl-1-naphthol,Oc1cc(cc2ccc(cc12)[N+](=O)[O-])c3ccccc3,Oc1cc(cc2ccc(cc12)[N+](=O)[O-])c3ccccc3,"InChI=1/C16H11NO3/c18-16-9-13(11-4-2-1-3-5-11)8-12-6-7-14(17(19)20)10-15(12)16/h1-10,18H",C16H11NO3,,,,,,VJQHQIRKHZXMQF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.463,250-025-8,30074-03-4,"4-(m-hydroxyphenyl)-4-phenylperhydroimidazole-2,5-dione","5-(3-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione",Oc1cccc(c1)C2(NC(=O)NC2=O)c3ccccc3,Oc1cccc(c1)C2(NC(=O)NC2=O)c3ccccc3,"InChI=1/C15H12N2O3/c18-12-8-4-7-11(9-12)15(10-5-2-1-3-6-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)",C15H12N2O3,,,,,,FSPRLRPJSPWQNC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.467,250-030-5,30077-81-7,"3-morpholino-2-(3,4,5-trimethoxybenzyl)acrylonitrile","3-morpholin-4-yl-2-(3,4,5-trimethoxybenzyl)acrylonitrile",COc1cc(C\\C(=C/N2CCOCC2)\\C#N)cc(OC)c1OC,COc1cc(C\C(=C/N2CCOCC2)\C#N)cc(OC)c1OC,"InChI=1/C17H22N2O4/c1-20-15-9-13(10-16(21-2)17(15)22-3)8-14(11-18)12-19-4-6-23-7-5-19/h9-10,12H,4-8H2,1-3H3",C17H22N2O4,,,,,,COJLXRBNOHYGDQ-WYMLVPIESA-N,,,,,,,,,,,
100.045.472,250-035-2,30084-90-3,Fluorene-2-carbaldehyde,9H-fluorene-2-carbaldehyde,O=Cc1ccc2c(Cc3ccccc23)c1,O=Cc1ccc2c(Cc3ccccc23)c1,"InChI=1/C14H10O/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2",C14H10O,,,,,,MNQGEQSXFDKAPY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.478,250-042-0,30091-02-2,4-benzyl-m-cresol,4-benzyl-3-methylphenol,Cc1cc(O)ccc1Cc2ccccc2,Cc1cc(O)ccc1Cc2ccccc2,"InChI=1/C14H14O/c1-11-9-14(15)8-7-13(11)10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3",C14H14O,,,,,,JEVXSIZPUPMGGA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.484,250-048-3,30097-06-4,Tidiacic,"1,3-thiazolidine-2,4-dicarboxylic acid",OC(=O)C1CSC(N1)C(=O)O,OC(=O)C1CSC(N1)C(=O)O,"InChI=1/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)",C5H7NO4S,,,,,,DAXBISKSIDBYEU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.487,250-052-5,30105-41-0,Hexabromocyclohexane,"1,1,2,2,3,3-hexabromocyclohexane",BrC1(Br)CCCC(Br)(Br)C1(Br)Br,BrC1(Br)CCCC(Br)(Br)C1(Br)Br,"InChI=1/C6H6Br6/c7-4(8)2-1-3-5(9,10)6(4,11)12/h1-3H2",C6H6Br6,,,,,,IKJAQRZWKCSNLT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.332,246-582-1,25054-73-3,Sodium N-(2-carboxyethyl)-N-octadecyl-ß-alaninate,sodium 3-[(2-carboxyethyl)(octadecyl)amino]propanoate,[Na+].CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],"InChI=1/C24H47NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29;/h2-22H2,1H3,(H,26,27)(H,28,29);/q;+1/p-1",C24H47NO4.Na,,,,,,ZWTPGLDWRUXDAX-UHFFFAOYSA-M,,,,,,,,,,,
100.042.348,246-599-4,25070-22-8,Zinc bis[phenylphosphinate],zinc bis(phenylphosphinate),[Zn+2].[O-]P(=O)c1ccccc1.[O-]P(=O)c2ccccc2,[Zn+2].[O-]P(=O)c1ccccc1.[O-]P(=O)c2ccccc2,"InChI=1/2C6H7O2P.Zn/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5,9H,(H,7,8);/q;;+2/p-2",C6H7O2P.1/2Zn,,,,,,PRQBJPGIUOLASY-UHFFFAOYSA-L,,,,,,,,,,,
100.042.351,246-602-9,25073-24-9,(E)-3-oxiranylacrylaldehyde,3-oxiran-2-ylacrylaldehyde,O=C\\C=C\\C1CO1,O=C\C=C\C1CO1,"InChI=1/C5H6O2/c6-3-1-2-5-4-7-5/h1-3,5H,4H2",C5H6O2,,,,,,MCZFDRQUPJCHON-OWOJBTEDSA-N,,,,,,,,,,,
100.042.356,246-608-1,25088-57-7,"(Z,Z)-di-9-octadecenyl phosphonate",dioctadec-9-en-1-yl hydrogen phosphite,CCCCCCCCC=CCCCCCCCCOP(O)OCCCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCCOP(O)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C36H71O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3",C36H71O3P,,,,,,FLAJFZXTYPQIBY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.358,246-610-2,25092-24-4,"11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione 21-acetate","2-(5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C,CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C,"InChI=1/C26H36O7/c1-14(27)31-13-20(30)26-21(32-23(2,3)33-26)11-18-17-7-6-15-10-16(28)8-9-24(15,4)22(17)19(29)12-25(18,26)5/h10,17-19,21-22,29H,6-9,11-13H2,1-5H3",C26H36O7,,,,,,JJCMNPASNQSMEE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.361,246-613-9,25103-09-7,Isooctyl mercaptoacetate,6-methylheptyl sulfanylacetate,CC(C)CCCCCOC(=O)CS,CC(C)CCCCCOC(=O)CS,"InChI=1/C10H20O2S/c1-9(2)6-4-3-5-7-12-10(11)8-13/h9,13H,3-8H2,1-2H3",C10H20O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1906,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.361,RZBBHEJLECUBJT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.132,250-762-5,31681-13-7,Dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl][3-(trimethoxysilyl)propyl]ammonium chloride,"N-[2-(methacryloyloxy)ethyl]-N,N-dimethyl-3-(trimethoxysilyl)propan-1-aminium chloride",[Cl-].CO[Si](CCC[N+](C)(C)CCOC(=O)C(=C)C)(OC)OC,[Cl-].CO[Si](CCC[N+](C)(C)CCOC(=O)C(=C)C)(OC)OC,"InChI=1/C14H30NO5Si.ClH/c1-13(2)14(16)20-11-10-15(3,4)9-8-12-21(17-5,18-6)19-7;/h1,8-12H2,2-7H3;1H/q+1;/p-1",C14H30NO5Si.Cl,,,,,,YZEPTPHNQLPQIU-UHFFFAOYSA-M,,,,,,,,,,,
100.046.133,250-763-0,31681-98-8,Disodium 2-naphthyl phosphate,disodium 2-naphthyl phosphate,[Na+].[Na+].[O-]P(=O)([O-])Oc1ccc2ccccc2c1,[Na+].[Na+].[O-]P(=O)([O-])Oc1ccc2ccccc2c1,"InChI=1/C10H9O4P.2Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-2",C10H9O4P.2Na,,,,,,HZCLXKFIXXQHKE-UHFFFAOYSA-L,,,,,,,,,,,
100.046.139,250-769-3,31701-42-5,(2H-benzotriazol-2-yl)hydroquinone,"2-(2H-benzotriazol-2-yl)benzene-1,4-diol",Oc1ccc(O)c(c1)n2nc3ccccc3n2,Oc1ccc(O)c(c1)n2nc3ccccc3n2,"InChI=1/C12H9N3O2/c16-8-5-6-12(17)11(7-8)15-13-9-3-1-2-4-10(9)14-15/h1-7,16-17H",C12H9N3O2,,,,,,JLQBRVRLOLTDGE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.141,250-771-4,31704-80-0,"ß,5-dimethylfuran-2-propionaldehyde",3-(5-methyl-2-furyl)butanal,CC(CC=O)c1oc(C)cc1,CC(CC=O)c1oc(C)cc1,"InChI=1/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3",C9H12O2,,,,,,DFSVNSCDOZSUCT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.142,250-773-5,31704-82-2,4-methyl-4-(5-methyl-2-furyl)pentan-2-one,4-methyl-4-(5-methyl-2-furyl)pentan-2-one,CC(=O)CC(C)(C)c1oc(C)cc1,CC(=O)CC(C)(C)c1oc(C)cc1,"InChI=1/C11H16O2/c1-8(12)7-11(3,4)10-6-5-9(2)13-10/h5-6H,7H2,1-4H3",C11H16O2,,,,,,QCAUMBKKZVOPPF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.143,250-774-0,31714-55-3,Hydrogen bis[1-[(5-chloro-2-hydroxyphenyl)azo]-2-naphtholato(2-)]chromate(1-),[1-{[5-chloro-2-(hydroxy-kappaO)phenyl]diazenyl}-2-naphtholato(2-)-kappaO]{1-[(5-chloro-2-hydroxyphenyl)diazenyl]-2-naphtholato-kappaO}chromium,Oc1ccc(Cl)cc1N=Nc2c(O[Cr]3Oc4ccc(Cl)cc4N=Nc5c(O3)ccc6ccccc56)ccc7ccccc27,Oc1ccc(Cl)cc1N=Nc2c(O[Cr]3Oc4ccc(Cl)cc4N=Nc5c(O3)ccc6ccccc56)ccc7ccccc27,"InChI=1/2C16H11ClN2O2.Cr/c2*17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2*1-9,20-21H;/q;;+3/p-3/rC32H19Cl2CrN4O4/c33-21-11-13-27(40)25(17-21)36-38-31-23-7-3-1-5-19(23)9-14-29(31)42-35-41-28-16-12-22(34)18-26(28)37-39-32-24-8-4-2-6-20(24)10-15-30(32)43-35/h1-18,40H",C32H18Cl2CrN4O4.H,,,,,,HOMXPGRNXLQWJA-UHFFFAOYSA-K,,,,,,,,,,,
100.046.145,250-776-1,31715-46-5,"3-bromo-1H-dibenzo[de,h]quinoline-2,7-dione","3-bromo-1H-dibenzo[de,h]quinoline-2,7-dione",BrC1=C2C=CC=C3C(=O)c4ccccc4C(=C23)NC1=O,BrC1=C2C=CC=C3C(=O)c4ccccc4C(=C23)NC1=O,"InChI=1/C16H8BrNO2/c17-13-10-6-3-7-11-12(10)14(18-16(13)20)8-4-1-2-5-9(8)15(11)19/h1-7H,(H,18,20)",C16H8BrNO2,,,,,,FULFOKOOHYNUNC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.152,250-784-5,31736-73-9,4'-bromo-3-chloropropiophenone,1-(4-bromophenyl)-3-chloropropan-1-one,ClCCC(=O)c1ccc(Br)cc1,ClCCC(=O)c1ccc(Br)cc1,"InChI=1/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2",C9H8BrClO,,,,,,SYWQQEVHZPPLNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.157,250-789-2,31748-47-7,"2-[(4-hydroxy-1-naphthyl)azo]-3,5-dinitrobenzenesulphonic acid","2-[(4-hydroxy-1-naphthyl)diazenyl]-3,5-dinitrobenzenesulfonic acid",[O-][N+](=O)c3cc(cc(c3N=Nc1ccc(O)c2ccccc12)S(O)(=O)=O)[N+]([O-])=O,[O-][N+](=O)c3cc(cc(c3N=Nc1ccc(O)c2ccccc12)S(O)(=O)=O)[N+]([O-])=O,"InChI=1/C16H10N4O8S/c21-14-6-5-12(10-3-1-2-4-11(10)14)17-18-16-13(20(24)25)7-9(19(22)23)8-15(16)29(26,27)28/h1-8,21H,(H,26,27,28)",C16H10N4O8S,,,,,,CAPWUCGVRLIQOU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.159,250-791-3,31756-97-5,"Myristic acid, compound with 2-aminoethanol (1:1)",tetradecanoic acid - 2-aminoethanol (1:1),CCCCCCCCCCCCCC(=O)O.NCCO,CCCCCCCCCCCCCC(=O)O.NCCO,"InChI=1/C14H28O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;3-1-2-4/h2-13H2,1H3,(H,15,16);4H,1-3H2",C14H28O2.C2H7NO,,,,,,KPYDHOVAALYKRO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.164,250-797-6,31775-16-3,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(4-methoxyphenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OC)cc3)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OC)cc3)c(Cl)c4,"InChI=1/C34H30Cl2N6O6/c1-19(43)31(33(45)37-23-7-11-25(47-3)12-8-23)41-39-29-15-5-21(17-27(29)35)22-6-16-30(28(36)18-22)40-42-32(20(2)44)34(46)38-24-9-13-26(48-4)14-10-24/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)",C34H30Cl2N6O6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17245,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.164,HPYOHJMBDBVTMT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.167,250-800-0,31778-10-6,"Butyl 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzoate","butyl 2-({2-hydroxy-3-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]-1-naphthyl}diazenyl)benzoate",CCCCOC(=O)c5ccccc5N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2,CCCCOC(=O)c5ccccc5N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C29H25N5O5/c1-2-3-14-39-28(37)20-10-6-7-11-22(20)33-34-25-19-9-5-4-8-17(19)15-21(26(25)35)27(36)30-18-12-13-23-24(16-18)32-29(38)31-23/h4-13,15-16,35H,2-3,14H2,1H3,(H,30,36)(H2,31,32,38)",C29H25N5O5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15921,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.167,OFVRAFISISJRPV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.169,250-802-1,31780-26-4,Dibromostyrene,"1,2-dibromo-3-vinylbenzene",Brc1cccc(C=C)c1Br,Brc1cccc(C=C)c1Br,"InChI=1/C8H6Br2/c1-2-6-4-3-5-7(9)8(6)10/h2-5H,1H2",C8H6Br2,,,,,,HJSWOSQTWGDDLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.454,250-015-3,30047-37-1,"4-[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxoisocrotonic acid","4-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}amino)-4-oxobut-2-enoic acid",COc1cc(NS(=O)(=O)c2ccc(NC(=O)\\C=C/C(=O)O)cc2)nc(OC)n1,COc1cc(NS(=O)(=O)c2ccc(NC(=O)\C=C/C(=O)O)cc2)nc(OC)n1,"InChI=1/C16H16N4O7S/c1-26-14-9-12(18-16(19-14)27-2)20-28(24,25)11-5-3-10(4-6-11)17-13(21)7-8-15(22)23/h3-9H,1-2H3,(H,17,21)(H,22,23)(H,18,19,20)",C16H16N4O7S,,,,,,XSJBDLAZVFZVTD-FPLPWBNLSA-N,,,,,,,,,,,
100.045.457,250-019-5,30061-30-4,"Aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methyl ester, hydrochloride, (5a,12ß,19a)-","methyl 2,3-didehydroaspidospermidine-3-carboxylate hydrochloride",Cl.CC[C@@]12CCCN3CC[C@]4([C@H]13)C(=C(C2)C(=O)OC)Nc5ccccc45,Cl.CC[C@@]12CCCN3CC[C@]4([C@H]13)C(=C(C2)C(=O)OC)Nc5ccccc45,"InChI=1/C21H26N2O2.ClH/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2;/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3;1H",C21H26N2O2.xClH,,,,,,BFVXDLZRORZNHX-OBEKMTESSA-N,,,,,,,,,,,
100.045.471,250-034-7,30080-50-3,Sodium D-glycero-D-ido-heptonate,"sodium 2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name)",[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)[O-],[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)[O-],"InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1",C7H14O8.Na,,,,,,FMYOMWCQJXWGEN-WNFIKIDCSA-M,,,,,,,,,,,
100.045.475,250-038-9,30087-46-8,1-chloro-4-(isocyanatophenoxy)benzene,1-(4-chlorophenoxy)-2-isocyanatobenzene,Clc1ccc(Oc2ccccc2N=C=O)cc1,Clc1ccc(Oc2ccccc2N=C=O)cc1,InChI=1/C13H8ClNO2/c14-10-5-7-11(8-6-10)17-13-4-2-1-3-12(13)15-9-16/h1-8H,C13H8ClNO2,,,,,,PHUNSVFEIHWNHY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.477,250-041-5,30091-01-1,"4,6-dibenzyl-m-cresol","2,4-dibenzyl-5-methylphenol",Cc1cc(O)c(Cc2ccccc2)cc1Cc3ccccc3,Cc1cc(O)c(Cc2ccccc2)cc1Cc3ccccc3,"InChI=1/C21H20O/c1-16-12-21(22)20(14-18-10-6-3-7-11-18)15-19(16)13-17-8-4-2-5-9-17/h2-12,15,22H,13-14H2,1H3",C21H20O,,,,,,DSGBRCTVPMDCGH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.480,250-044-1,30093-97-1,"4,5-dihydro-3,4,4-trimethyloxazolium iodide","3,4,4-trimethyl-4,5-dihydro-1,3-oxazol-3-ium iodide",[I-].C[N+]1=COCC1(C)C,[I-].C[N+]1=COCC1(C)C,"InChI=1/C6H12NO.HI/c1-6(2)4-8-5-7(6)3;/h5H,4H2,1-3H3;1H/q+1;/p-1",C6H12NO.I,,,,,,MSVZNJGVRJXGOY-UHFFFAOYSA-M,,,,,,,,,,,
100.045.481,250-045-7,30093-99-3,"4,5-dihydro-4,4-dimethyloxazole","4,4-dimethyl-4,5-dihydro-1,3-oxazole",CC1(C)COC=N1,CC1(C)COC=N1,"InChI=1/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3",C5H9NO,,,,,,KOAMXHRRVFDWRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.323,246-572-7,25026-97-5,2-amino-5-nitrothiobenzamide,2-amino-5-nitrobenzenecarbothioamide,NC(=S)c1cc(ccc1N)[N+](=O)[O-],NC(=S)c1cc(ccc1N)[N+](=O)[O-],"InChI=1/C7H7N3O2S/c8-6-2-1-4(10(11)12)3-5(6)7(9)13/h1-3H,8H2,(H2,9,13)",C7H7N3O2S,,,,,,FHYFXVGYNCGBAT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.330,246-580-0,25047-71-6,Sodium 3-[[2-hydroxy-3-[(4-methoxy-o-tolyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate,sodium 3-({2-hydroxy-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-naphthyl}diazenyl)-4-methoxybenzenesulfonate,[Na+].COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(OC)cc1C)c2O)S([O-])(=O)=O,[Na+].COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(OC)cc1C)c2O)S([O-])(=O)=O,"InChI=1/C26H23N3O7S.Na/c1-15-12-17(35-2)8-10-21(15)27-26(31)20-13-16-6-4-5-7-19(16)24(25(20)30)29-28-22-14-18(37(32,33)34)9-11-23(22)36-3;/h4-14,30H,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1",C26H23N3O7S.Na,,,,,,DAEROULMYZMJRN-UHFFFAOYSA-M,,,,,,,,,,,
100.042.337,246-587-9,25059-15-8,Sodium 6-hydroxynaphthalenesulphonate,sodium 6-hydroxynaphthalene-1-sulfonate,[Na+].Oc1ccc2c(cccc2c1)S(=O)(=O)[O-],[Na+].Oc1ccc2c(cccc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,KDZBVXKDZNEELM-UHFFFAOYSA-M,,,,,,,,,,,
100.042.340,246-591-0,25059-80-7,Ethyl 4-chloro-2-oxo-2H-benzothiazole-3-acetate,"ethyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate",CCOC(=O)CN1C(=O)Sc2cccc(Cl)c12,CCOC(=O)CN1C(=O)Sc2cccc(Cl)c12,"InChI=1/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3",C11H10ClNO3S,,,,,,WQRCEBAZAUAUQC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.341,246-592-6,25061-50-1,1-amino-4-(cyclohexylamino)-2-(2-hydroxyethoxy)anthraquinone,"1-amino-4-(cyclohexylamino)-2-(2-hydroxyethoxy)-9,10-anthraquinone",Nc1c(OCCO)cc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13,Nc1c(OCCO)cc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H24N2O4/c23-20-17(28-11-10-25)12-16(24-13-6-2-1-3-7-13)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h4-5,8-9,12-13,24-25H,1-3,6-7,10-11,23H2",C22H24N2O4,,,,,,YOHDUQBXKPGDFU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.343,246-594-7,25063-23-4,2-methylbutyl 4-(dimethylamino)benzoate,2-methylbutyl 4-(dimethylamino)benzoate,CCC(C)COC(=O)c1ccc(cc1)N(C)C,CCC(C)COC(=O)c1ccc(cc1)N(C)C,"InChI=1/C14H21NO2/c1-5-11(2)10-17-14(16)12-6-8-13(9-7-12)15(3)4/h6-9,11H,5,10H2,1-4H3",C14H21NO2,,,,,,DDFJYMPPPJNZME-UHFFFAOYSA-N,,,,,,,,,,,
100.042.344,246-595-2,25063-27-8,Germanium tetrabutanolate,germanium(4+) tetrabutan-1-olate,[Ge+4].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],[Ge+4].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/4C4H9O.Ge/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4",C4H10O.1/4Ge,,,,,,GGHTWSNOKADVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.349,246-600-8,25070-31-9,"Carbonic acid, barium salt",barium carbonate,[Ba+2].[O-]C(=O)[O-],[Ba+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.xBa,,,,,,AYJRCSIUFZENHW-UHFFFAOYSA-L,,,,,,,,,,,
100.044.466,248-929-2,28267-29-0,Ethyl tridecanoate,ethyl tridecanoate,CCCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCCC(=O)OCC,"InChI=1/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3",C15H30O2,,,,,,QJYYMNOTJXIOBP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.467,248-930-8,28267-30-3,Isopropyl tridecanoate,isopropyl tridecanoate,CCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-16(17)18-15(2)3/h15H,4-14H2,1-3H3",C16H32O2,,,,,,CZYGEVQQOCNIML-UHFFFAOYSA-N,,,,,,,,,,,
100.044.468,248-931-3,28267-31-4,Butyl tridecanoate,butyl tridecanoate,CCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C17H34O2/c1-3-5-7-8-9-10-11-12-13-14-15-17(18)19-16-6-4-2/h3-16H2,1-2H3",C17H34O2,,,,,,HKXBPYQGPDKLHV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.470,248-933-4,28279-27-8,"5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)barbituric acid","5-{2-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-1-[(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]ethylidene}-1,3-bis(2-methoxyethyl)pyrimidine-2,4,6(1H,3H,5H)-trione",O=C\\1N(CCOC)C(=O)N(CCOC)C(=O)C/1=C(/C=C3Sc4ccc2ccccc2c4N3CC)C=C7Sc6ccc5ccccc5c6N7CC,O=C\1N(CCOC)C(=O)N(CCOC)C(=O)C/1=C(/C=C3Sc4ccc2ccccc2c4N3CC)C=C7Sc6ccc5ccccc5c6N7CC,"InChI=1/C39H38N4O5S2/c1-5-40-32(49-30-17-15-25-11-7-9-13-28(25)35(30)40)23-27(34-37(44)42(19-21-47-3)39(46)43(38(34)45)20-22-48-4)24-33-41(6-2)36-29-14-10-8-12-26(29)16-18-31(36)50-33/h7-18,23-24H,5-6,19-22H2,1-4H3",C39H38N4O5S2,,,,,,RHJUONUPJMTLGP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.474,248-938-1,28286-86-4,"2,4-dichloro-5-methylbenzene-1-sulphonyl chloride","2,4-dichloro-5-methylbenzenesulfonyl chloride",Cc1cc(c(Cl)cc1Cl)S(=O)(=O)Cl,Cc1cc(c(Cl)cc1Cl)S(=O)(=O)Cl,"InChI=1/C7H5Cl3O2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3",C7H5Cl3O2S,,,,,,DFBKCDYLPLBSJP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.475,248-939-7,28289-54-5,"1,2,3,6-tetrahydro-1-methyl-4-phenylpyridine","1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine",CN1CCC(=CC1)c2ccccc2,CN1CCC(=CC1)c2ccccc2,"InChI=1/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3",C12H15N,,,,,,PLRACCBDVIHHLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.478,248-942-3,28294-47-5,"4-acetyl-2,6-dimethoxyphenyl acetate","4-acetyl-2,6-dimethoxyphenyl acetate",COc1cc(cc(OC)c1OC(=O)C)C(=O)C,COc1cc(cc(OC)c1OC(=O)C)C(=O)C,"InChI=1/C12H14O5/c1-7(13)9-5-10(15-3)12(17-8(2)14)11(6-9)16-4/h5-6H,1-4H3",C12H14O5,,,,,,SUFHOFZQYXKUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.479,248-943-9,28294-55-5,"2,5-bis(3-chlorophenylamino)terephthalic acid","2,5-bis[(3-chlorophenyl)amino]terephthalic acid",OC(=O)c1cc(Nc2cccc(Cl)c2)c(cc1Nc3cccc(Cl)c3)C(=O)O,OC(=O)c1cc(Nc2cccc(Cl)c2)c(cc1Nc3cccc(Cl)c3)C(=O)O,"InChI=1/C20H14Cl2N2O4/c21-11-3-1-5-13(7-11)23-17-9-16(20(27)28)18(10-15(17)19(25)26)24-14-6-2-4-12(22)8-14/h1-10,23-24H,(H,25,26)(H,27,28)",C20H14Cl2N2O4,,,,,,JCHNWGHDRJBSRH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.481,248-946-5,28296-64-2,(Z)-1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidinium bromide,1-[4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidinium bromide,[Br-].Clc1ccc(C\\C(=C\\C[NH+]2CCCC2)\\c3ccccc3)cc1,[Br-].Clc1ccc(C\C(=C\C[NH+]2CCCC2)\c3ccccc3)cc1,"InChI=1/C20H22ClN.BrH/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;/h1-3,6-12H,4-5,13-16H2;1H",C20H22ClN.BrH,,,,,,CHTNIZRRBLLLRO-JHMJKTBASA-N,,,,,,,,,,,
100.044.490,248-955-4,28313-49-7,"Terephthalic acid, lithium salt",lithium 4-carboxybenzoate,[Li+].OC(=O)c1ccc(cc1)C(=O)[O-],[Li+].OC(=O)c1ccc(cc1)C(=O)[O-],"InChI=1/C8H6O4.Li/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1",C8H6O4.xLi,,,,,,LCGMARVAFWUEDE-UHFFFAOYSA-M,,,,,,,,,,,
100.044.491,248-957-5,28313-51-1,"[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium methyl sulphate","2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium methyl sulfate",[O-]S(=O)(=O)OC.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,[O-]S(=O)(=O)OC.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,"InChI=1/C22H29N6S.CH4O4S/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-5-6(2,3)4/h7-13,16H,6,14-15H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C22H29N6S.CH3O4S,,,,,,ABTAMTTWNRHXGT-UHFFFAOYSA-M,,,,,,,,,,,
100.044.495,248-961-7,28317-96-6,3-phenoxypropionyl chloride,3-phenoxypropanoyl chloride,ClC(=O)CCOc1ccccc1,ClC(=O)CCOc1ccccc1,"InChI=1/C9H9ClO2/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2",C9H9ClO2,,,,,,SBSYFELXUYBRND-UHFFFAOYSA-N,,,,,,,,,,,
100.044.496,248-962-2,28319-77-9,Choline glycerophosphate,"bis(2-hydroxy-N,N,N-trimethylethanaminium) 2,3-dihydroxypropyl phosphate",C[N+](C)(C)CCO.C[N+](C)(C)CCO.OCC(O)COP(=O)([O-])[O-],C[N+](C)(C)CCO.C[N+](C)(C)CCO.OCC(O)COP(=O)([O-])[O-],"InChI=1/2C5H14NO.C3H9O6P/c2*1-6(2,3)4-5-7;4-1-3(5)2-9-10(6,7)8/h2*7H,4-5H2,1-3H3;3-5H,1-2H2,(H2,6,7,8)/q2*+1;/p-2",C8H20NO6P,,,,,,ZUXLRNSUFXEQOD-UHFFFAOYSA-L,,,,,,,,,,,
100.044.497,248-963-8,28321-79-1,Diiminosuccinonitrile,diiminosuccinonitrile,N=C(C#N)C(=N)C#N,N=C(C#N)C(=N)C#N,InChI=1/C4H2N4/c5-1-3(7)4(8)2-6/h7-8H,C4H2N4,,,,,,JUFLTGRGLUCRCU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.366,246-619-1,25103-58-6,tert-dodecanethiol,"2,3,3,4,4,5-hexamethylhexane-2-thiol",CC(C)C(C)(C)C(C)(C)C(C)(C)S,CC(C)C(C)(C)C(C)(C)C(C)(C)S,"InChI=1/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3",C12H26S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13431,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.366,YAJYJWXEWKRTPO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.367,246-620-7,25108-36-5,Potassium pyridine-2-carboxylate,potassium pyridine-2-carboxylate,[K+].[O-]C(=O)c1ccccn1,[K+].[O-]C(=O)c1ccccn1,"InChI=1/C6H5NO2.K/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);/q;+1/p-1",C6H5NO2.K,,,,,,HJIGRHPMRXZAEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.522,250-090-2,30199-26-9,"(R)-5-(1,5-dimethyl-4-hexenyl)-o-cresol","5-(1,5-dimethylhex-4-en-1-yl)-2-methylphenol",C[C@H](CCC=C(C)C)c1ccc(C)c(O)c1,C[C@H](CCC=C(C)C)c1ccc(C)c(O)c1,"InChI=1/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3",C15H22O,,,,,,FKWGCEDRLNNZOZ-GFCCVEGCSA-N,,,,,,,,,,,
100.045.525,250-093-9,30211-77-9,2-nitro-5-thiocyanatobenzoic acid,2-nitro-5-thiocyanatobenzoic acid,OC(=O)c1cc(SC#N)ccc1[N+](=O)[O-],OC(=O)c1cc(SC#N)ccc1[N+](=O)[O-],"InChI=1/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)",C8H4N2O4S,,,,,,NQUNIMFHIWQQGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.530,250-099-1,30246-33-4,"(6R-trans)-7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","7-amino-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",Cc1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O)s1,Cc1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O)s1,"InChI=1/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)",C11H12N4O3S3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7001,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.530,HJSGHKMSDOLGJJ-RCOVLWMOSA-N,,,,,,,,,,,
100.045.534,250-103-1,30256-45-2,4-methyl-2-propylpyridine,4-methyl-2-propylpyridine,CCCc1cc(C)ccn1,CCCc1cc(C)ccn1,"InChI=1/C9H13N/c1-3-4-9-7-8(2)5-6-10-9/h5-7H,3-4H2,1-2H3",C9H13N,,,,,,VUGBOWJFXQYHBW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.536,250-105-2,30259-97-3,Barium bis(octylphenolate),barium bis(2-octylphenolate),[Ba+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-],[Ba+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-],"InChI=1/2C14H22O.Ba/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h2*8-9,11-12,15H,2-7,10H2,1H3;/q;;+2/p-2",C14H22O.1/2Ba,,,,,,BPDLYJNUZBXKKA-UHFFFAOYSA-L,,,,,,,,,,,
100.045.540,250-109-4,30273-97-3,[2-[(diazoacetyl)oxy]ethyl]trimethylammonium bromide,"2-(2-diazoacetoxy)-N,N,N-trimethylethanaminium bromide",[Br-].C[N+](C)(C)CCOC(=O)C=[N+]=[N-],[Br-].C[N+](C)(C)CCOC(=O)C=[N+]=[N-],"InChI=1/C7H14N3O2.BrH/c1-10(2,3)4-5-12-7(11)6-9-8;/h6H,4-5H2,1-3H3;1H/q+1;/p-1",C7H14N3O2.Br,,,,,,VFPNWSNAEHVDGI-UHFFFAOYSA-M,,,,,,,,,,,
100.045.542,250-112-0,30285-48-4,Ethyl D-glucoside,ethyl hexopyranoside,CCOC1OC(CO)C(O)C(O)C1O,CCOC1OC(CO)C(O)C(O)C1O,"InChI=1/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3",C8H16O6,,,,,,WYUFTYLVLQZQNH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.554,250-125-1,30315-46-9,"(S)-3-(tert-butylamino)propane-1,2-diol","3-(tert-butylamino)propane-1,2-diol",CC(C)(C)NC[C@H](O)CO,CC(C)(C)NC[C@H](O)CO,"InChI=1/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3",C7H17NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18615,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.554,JWBMVCAZXJMSOX-LURJTMIESA-N,,,,,,,,,,,
100.045.561,250-133-5,30336-14-2,5-butylfuran-2(5H)-one,5-butylfuran-2(5H)-one,CCCCC1OC(=O)C=C1,CCCCC1OC(=O)C=C1,"InChI=1/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h5-7H,2-4H2,1H3",C8H12O2,,,,,,KGJZBUMJSZTLTA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.565,250-137-7,30345-27-8,"2-amino-3,7-dihydro-3-hydroxy-7-methyl-6H-purin-6-one","2-amino-3-hydroxy-7-methyl-3,7-dihydro-6H-purin-6-one",Cn1cnc2N(O)C(=NC(=O)c12)N,Cn1cnc2N(O)C(=NC(=O)c12)N,"InChI=1/C6H7N5O2/c1-10-2-8-4-3(10)5(12)9-6(7)11(4)13/h2,13H,1H3,(H2,7,9,12)",C6H7N5O2,,,,,,MDGMWFWAECOQFN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.653,246-934-4,25390-17-4,S-(carboxymethyl)-DL-cysteine,N-(carboxymethyl)-D-cysteine,OC(=O)CN[C@H](CS)C(=O)O,OC(=O)CN[C@H](CS)C(=O)O,"InChI=1/C5H9NO4S/c7-4(8)1-6-3(2-11)5(9)10/h3,6,11H,1-2H2,(H,7,8)(H,9,10)",C5H9NO4S,,,,,,VUCDIRJQEQYQRN-GSVOUGTGSA-N,,,,,,,,,,,
100.042.654,246-936-5,25393-98-0,"1,4-bis(1,2-dibromoethyl)benzene","1,4-bis(1,2-dibromoethyl)benzene",BrCC(Br)c1ccc(cc1)C(Br)CBr,BrCC(Br)c1ccc(cc1)C(Br)CBr,"InChI=1/C10H10Br4/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h1-4,9-10H,5-6H2",C10H10Br4,,,,,,KDBQQANTDCVPDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.655,246-937-0,25394-13-2,"Sodium 4,4'-diaminostilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonate)",[Na+].[Na+].Nc1ccc(\\C=C\\c2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(\C=C\c2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C14H14N2O6S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H14N2O6S2.xNa,,,,,,YAKFHPREDNNSFX-SEPHDYHBSA-L,,,,,,,,,,,
100.045.633,250-212-4,30469-22-8,"(±)-(1a,2ß,5a)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one","2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",CC1C2CC(CC1=O)C2(C)C,CC1C2CC(CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,MQPHVIPKLRXGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.651,250-232-3,30544-61-7,Clanobutin,4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butanoic acid,COc1ccc(cc1)N(CCCC(=O)O)C(=O)c2ccc(Cl)cc2,COc1ccc(cc1)N(CCCC(=O)O)C(=O)c2ccc(Cl)cc2,"InChI=1/C18H18ClNO4/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13/h4-11H,2-3,12H2,1H3,(H,21,22)",C18H18ClNO4,,,,,,VUPBWNXFSDRWJE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.655,250-237-0,30554-72-4,Tetrabromodichlorocyclohexane,"1,1,2,2-tetrabromo-3,3-dichlorocyclohexane",ClC1(Cl)CCCC(Br)(Br)C1(Br)Br,ClC1(Cl)CCCC(Br)(Br)C1(Br)Br,"InChI=1/C6H6Br4Cl2/c7-4(8)2-1-3-5(11,12)6(4,9)10/h1-3H2",C6H6Br4Cl2,,,,,,XXBSJXNQJJWTEX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.661,250-243-3,30563-77-0,1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole,1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole,CCn1c(C)nc2cc(ccc12)C(F)(F)F,CCn1c(C)nc2cc(ccc12)C(F)(F)F,"InChI=1/C11H11F3N2/c1-3-16-7(2)15-9-6-8(11(12,13)14)4-5-10(9)16/h4-6H,3H2,1-2H3",C11H11F3N2,,,,,,LXNGDRGLRRDJOB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.662,250-244-9,30566-92-8,5-[[bis(benzyl)amino]acetyl]salicylamide,"5-(N,N-dibenzylglycyl)-2-hydroxybenzamide",NC(=O)c1cc(ccc1O)C(=O)CN(Cc2ccccc2)Cc3ccccc3,NC(=O)c1cc(ccc1O)C(=O)CN(Cc2ccccc2)Cc3ccccc3,"InChI=1/C23H22N2O3/c24-23(28)20-13-19(11-12-21(20)26)22(27)16-25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2,(H2,24,28)",C23H22N2O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8325,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.662,DNLPQXRWAKCKPX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.663,250-245-4,30574-44-8,"2,6-dimethylocta-2,7-dienyl acetate","2,6-dimethylocta-2,7-dien-1-yl acetate",C=CC(C)CCC=C(C)COC(C)=O,C=CC(C)CCC=C(C)COC(C)=O,"InChI=1/C12H20O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h5,8,10H,1,6-7,9H2,2-4H3",C12H20O2,,,,,,KHXMGJZMOXCCNP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.669,250-252-2,30583-33-6,Trichlorotoluene,"1,2,3-trichloro-4-methylbenzene",Cc1ccc(Cl)c(Cl)c1Cl,Cc1ccc(Cl)c(Cl)c1Cl,"InChI=1/C7H5Cl3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3",C7H5Cl3,,,,,,LHOGNQZQKDZOBP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.671,250-254-3,30587-18-9,"2-hydroxy-1,2-bis(methoxyphenyl)ethan-1-one","2-hydroxy-1,2-bis(2-methoxyphenyl)ethanone",COc1ccccc1C(O)C(=O)c2ccccc2OC,COc1ccccc1C(O)C(=O)c2ccccc2OC,"InChI=1/C16H16O4/c1-19-13-9-5-3-7-11(13)15(17)16(18)12-8-4-6-10-14(12)20-2/h3-10,15,17H,1-2H3",C16H16O4,,,,,,CKZXADVHFFKWKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.635,245-814-9,23669-79-6,5'-O-[bis(4-methoxyphenyl)benzyl]-2'-deoxyuridine,"1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxypentofuranosyl}pyrimidine-2,4(1H,3H)-dione",COc1ccc(cc1)C(OCC2OC(CC2O)N3C=CC(=O)NC3=O)(c4ccccc4)c5ccc(OC)cc5,COc1ccc(cc1)C(OCC2OC(CC2O)N3C=CC(=O)NC3=O)(c4ccccc4)c5ccc(OC)cc5,"InChI=1/C30H30N2O7/c1-36-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(37-2)15-11-22)38-19-26-25(33)18-28(39-26)32-17-16-27(34)31-29(32)35/h3-17,25-26,28,33H,18-19H2,1-2H3,(H,31,34,35)",C30H30N2O7,,,,,,BYGKUWPLEGHFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.639,245-819-6,23677-62-5,"1,4-diamino-2-nitroanthraquinone","1,4-diamino-2-nitro-9,10-anthraquinone",Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-],Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-],"InChI=1/C14H9N3O4/c15-8-5-9(17(20)21)12(16)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,15-16H2",C14H9N3O4,,,,,,RPAUNJMPBLFVQL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.643,245-823-8,23687-25-4,4-isoquinolylamine,isoquinolin-4-amine,Nc1cncc2ccccc12,Nc1cncc2ccccc12,"InChI=1/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2",C9H8N2,,,,,,ISIUXVGHQFJYHM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.648,245-829-0,23694-17-9,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulphonyl)-2-methoxybenzamide monohydrochloride,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide hydrochloride,Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC,Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC,"InChI=1/C17H26N2O4S.ClH/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3;/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);1H",C17H26N2O4S.ClH,,,,,,IGOWMQPOGQYFFM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.651,245-832-7,23696-28-8,Olaquindox,"N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide 1,4-dioxide",Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],"InChI=1/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)",C12H13N3O4,,,,,,TURHTASYUMWZCC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.652,245-833-2,23696-85-7,"1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one","1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one",O=C(C=CC)\\C1=C(/C)\\C=C/CC1(C)C,O=C(C=CC)\C1=C(/C)\C=C/CC1(C)C,"InChI=1/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",C13H18O,,,,,,POIARNZEYGURDG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.352,246-603-4,25078-74-4,"1,3-diethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium iodide","1,3-diethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium iodide",[I-].CCN1C(\\C=C\\c2c(c3ccccc3)n(C)c4ccccc24)[NH+](CC)c5nc6ccccc6nc15,[I-].CCN1C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)[NH+](CC)c5nc6ccccc6nc15,"InChI=1/C30H29N5.HI/c1-4-34-27(35(5-2)30-29(34)31-24-16-10-11-17-25(24)32-30)20-19-23-22-15-9-12-18-26(22)33(3)28(23)21-13-7-6-8-14-21;/h6-20,27H,4-5H2,1-3H3;1H",C30H28N5.I,,,,,,OAJHGHSLZBRELA-RZLHGTIFSA-N,,,,,,,,,,,
100.042.360,246-612-3,25100-12-3,Cyclohexylhydroxylamine hydrochloride,N-hydroxycyclohexanamine hydrochloride,Cl.ONC1CCCCC1,Cl.ONC1CCCCC1,"InChI=1/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H",C6H13NO.ClH,,,,,,SSVAHXZUFFSFER-UHFFFAOYSA-N,,,,,,,,,,,
100.042.363,246-616-5,25103-23-5,Triisooctyl phosphate,tris(6-methylheptyl) phosphate,CC(C)CCCCCOP(=O)(OCCCCCC(C)C)OCCCCCC(C)C,CC(C)CCCCCOP(=O)(OCCCCCC(C)C)OCCCCCC(C)C,"InChI=1/C24H51O4P/c1-22(2)16-10-7-13-19-26-29(25,27-20-14-8-11-17-23(3)4)28-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3",C24H51O4P,,,,,,FSLSJTZWDATVTK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.365,246-618-6,25103-54-2,Zinc isodecyl phosphorodithioate,"zinc bis[O,O-bis(8-methylnonyl) dithiophosphate]",[Zn+2].CC(C)CCCCCCCOP(=S)([S-])OCCCCCCCC(C)C.CC(C)CCCCCCCOP(=S)([S-])OCCCCCCCC(C)C,[Zn+2].CC(C)CCCCCCCOP(=S)([S-])OCCCCCCCC(C)C.CC(C)CCCCCCCOP(=S)([S-])OCCCCCCCC(C)C,"InChI=1/2C20H43O2PS2.Zn/c2*1-19(2)15-11-7-5-9-13-17-21-23(24,25)22-18-14-10-6-8-12-16-20(3)4;/h2*19-20H,5-18H2,1-4H3,(H,24,25);/q;;+2/p-2",C20H43O2PS2.1/2Zn,,,,,,JTRDOXTXNZMWMG-UHFFFAOYSA-L,,,,,,,,,,,
100.045.529,250-098-6,30237-07-1,2-(p-tolyl)-p-benzoquinone,"2-(4-methylphenyl)-1,4-benzoquinone",Cc1ccc(cc1)C2=CC(=O)C=CC2=O,Cc1ccc(cc1)C2=CC(=O)C=CC2=O,"InChI=1/C13H10O2/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8H,1H3",C13H10O2,,,,,,RGVRHOACBLJGAW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.535,250-104-7,30259-83-7,"Diisooctyl 2,2'-thiobisacetate","bis(6-methylheptyl) 2,2'-sulfanediyldiacetate",CC(C)CCCCCOC(=O)CSCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CSCC(=O)OCCCCCC(C)C,"InChI=1/C20H38O4S/c1-17(2)11-7-5-9-13-23-19(21)15-25-16-20(22)24-14-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3",C20H38O4S,,,,,,KICFDIUUBONLHK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.538,250-107-3,30272-08-3,"7-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)amino]heptanoic acid hydrochloride","7-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylamino)heptanoic acid hydrochloride",Cl.OC(=O)CCCCCCNC1c2ccccc2CCc3ccccc13,Cl.OC(=O)CCCCCCNC1c2ccccc2CCc3ccccc13,"InChI=1/C22H27NO2.ClH/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22;/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25);1H",C22H27NO2.ClH,,,,,,VDPUXONTAVMIKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.543,250-113-6,30286-75-0,Oxitropium bromide,"9-ethyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide",[Br-].CC[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,[Br-].CC[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,"InChI=1/C19H26NO4.BrH/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12;/h4-8,13-18,21H,3,9-11H2,1-2H3;1H/q+1;/p-1",C19H26NO4.Br,,,,,,LCELQERNWLBPSY-KHSTUMNDSA-M,,,,,,,,,,,
100.045.544,250-114-1,30291-41-9,"4-methyloxazolidine-2,5-dione","4-methyl-1,3-oxazolidine-2,5-dione",CC1NC(=O)OC1=O,CC1NC(=O)OC1=O,"InChI=1/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)",C4H5NO3,,,,,,DTETYCNJKAUROO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.558,250-129-3,30320-26-4,"1,1,1,4,5,5,5-heptafluoro-3-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-ene","1,1,1,4,4,5,5,5-octafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-2-(trifluoromethyl)pent-2-ene",FC(F)(F)C(=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C9F18/c10-3(7(19,20)21,8(22,23)24)1(4(11,12)9(25,26)27)2(5(13,14)15)6(16,17)18",C9F18,,,,,,KJIGYKCIAQBHEL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.560,250-131-4,30334-71-5,"(S)-1-(hydroxymethyl)ethane-1,2-diyl dipalmitate","3-hydroxypropane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",C35H68O5,,,,,,JEJLGIQLPYYGEE-XIFFEERXSA-N,,,,,,,,,,,
100.045.562,250-134-0,30339-87-8,"2,3-dihydrofluoranthene","2,3-dihydrofluoranthene",C1Cc2cccc3c4ccccc4C(=C1)c23,C1Cc2cccc3c4ccccc4C(=C1)c23,"InChI=1/C16H12/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-3,5,7-10H,4,6H2",C16H12,,,,,,MBXXMPNBVQQJEL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.651,246-932-3,25387-93-3,(quinolin-8-olato)lithium,lithium quinolin-8-olate,[Li]Oc1cccc2cccnc12,[Li]Oc1cccc2cccnc12,"InChI=1/C9H7NO.Li/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;/q;+1/p-1",C9H6LiNO,,,,,,FQHFBFXXYOQXMN-UHFFFAOYSA-M,,,,,,,,,,,
100.042.657,246-939-1,25395-13-5,5-chloroquinolin-8-ol hydrochloride,5-chloroquinolin-8-ol hydrochloride,Cl.Oc1ccc(Cl)c2cccnc12,Cl.Oc1ccc(Cl)c2cccnc12,"InChI=1/C9H6ClNO.ClH/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h1-5,12H;1H",C9H6ClNO.ClH,,,,,,QKWIORGVGGOEFG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.178,246-412-6,24687-42-1,4-mercaptobutane-1-sulphonic acid,4-sulfanylbutane-1-sulfonic acid,OS(=O)(=O)CCCCS,OS(=O)(=O)CCCCS,"InChI=1/C4H10O3S2/c5-9(6,7)4-2-1-3-8/h8H,1-4H2,(H,5,6,7)",C4H10O3S2,,,,,,ISOQNEPBGIJCLU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.179,246-413-1,24687-57-8,Silver icosanoate,silver(1+) icosanoate,[Ag+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ag+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C20H40O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1",C20H40O2.Ag,,,,,,WSNSABOWXUGUPR-UHFFFAOYSA-M,,,,,,,,,,,
100.042.182,246-416-8,24691-16-5,"cis-3,3,5-trimethylcyclohexyl acetate","3,3,5-trimethylcyclohexyl acetate",C[C@@H]1C[C@@H](CC(C)(C)C1)OC(=O)C,C[C@@H]1C[C@@H](CC(C)(C)C1)OC(=O)C,"InChI=1/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3",C11H20O2,,,,,,OIVWFAFCHQDCCG-SCZZXKLOSA-N,,,,,,,,,,,
100.042.185,246-419-4,24691-76-7,Pyracarbolid,"6-methyl-N-phenyl-3,4-dihydro-2H-pyran-5-carboxamide",CC1=C(CCCO1)C(=O)Nc2ccccc2,CC1=C(CCCO1)C(=O)Nc2ccccc2,"InChI=1/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)",C13H15NO2,,,,,,YPCALTGLHFLNGA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.187,246-422-0,24700-20-7,p-tolyl 3-methylcrotonate,4-methylphenyl 3-methylbut-2-enoate,CC(=CC(=O)Oc1ccc(C)cc1)C,CC(=CC(=O)Oc1ccc(C)cc1)C,"InChI=1/C12H14O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-8H,1-3H3",C12H14O2,,,,,,WXLMUDDKYMGUFP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.194,246-429-9,24719-19-5,Tricobalt diarsenate,tricobalt diarsenate,[Co+2].[Co+2].[Co+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],[Co+2].[Co+2].[Co+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],"InChI=1/2AsH3O4.3Co/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",AsH3O4.3/2Co,,,,,,HAGMGKHBHTVQQM-UHFFFAOYSA-H,,,,,,,,,,,
100.042.199,246-435-1,24731-17-7,Ethyl 2-oxocyclohexylacetate,ethyl (2-oxocyclohexyl)acetate,CCOC(=O)CC1CCCCC1=O,CCOC(=O)CC1CCCCC1=O,"InChI=1/C10H16O3/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h8H,2-7H2,1H3",C10H16O3,,,,,,ZZWSNYNCRUZSPR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.201,246-437-2,24731-66-6,Aluminium tri(quinolin-8-olate),aluminum triquinolin-8-olate,[Al+3].[O-]c1cccc2cccnc12.[O-]c3cccc4cccnc34.[O-]c5cccc6cccnc56,[Al+3].[O-]c1cccc2cccnc12.[O-]c3cccc4cccnc34.[O-]c5cccc6cccnc56,"InChI=1/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3",C9H7NO.1/3Al,,,,,,TVIVIEFSHFOWTE-UHFFFAOYSA-K,,,,,,,,,,,
100.042.204,246-440-9,24734-68-7,3-phenylpropane-1-thiol,3-phenylpropane-1-thiol,SCCCc1ccccc1,SCCCc1ccccc1,"InChI=1/C9H12S/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",C9H12S,,,,,,IUSDGVJFDZRIBR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.206,246-443-5,24738-19-0,"3-allyl-5-[(1-ethyl-1,4-dihydro-4-methyl-5H-tetrazol-5-ylidene)ethylidene]-2-thioxothiazolidin-4-one","3-allyl-5-[2-(1-ethyl-4-methyl-1,4-dihydro-5H-tetrazol-5-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",C=CCN2C(=O)C(=CC=C1N(C)/N=N\\N1CC)SC2=S,C=CCN2C(=O)C(=CC=C1N(C)/N=N\N1CC)SC2=S,"InChI=1/C12H15N5OS2/c1-4-8-16-11(18)9(20-12(16)19)6-7-10-15(3)13-14-17(10)5-2/h4,6-7H,1,5,8H2,2-3H3",C12H15N5OS2,,,,,,VPLHQQNVZUTKLL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.210,246-447-7,24758-49-4,4-morpholinobenzophenone,(4-morpholin-4-ylphenyl)(phenyl)methanone,O=C(c1ccccc1)c2ccc(cc2)N3CCOCC3,O=C(c1ccccc1)c2ccc(cc2)N3CCOCC3,"InChI=1/C17H17NO2/c19-17(14-4-2-1-3-5-14)15-6-8-16(9-7-15)18-10-12-20-13-11-18/h1-9H,10-13H2",C17H17NO2,,,,,,CGCQHMFVCNWSOV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.217,246-455-0,24772-51-8,"Bis(butan-2-olato)(ethyl 3-oxobutyrato-O1',O3)aluminium","bis(butan-2-olato)[1-ethoxybutane-1,3-diolato(2-)-kappa~2~O~1~,O~3~]aluminate(1-)",CCOC1CC(C)O[Al](OC(C)CC)(OC(C)CC)O1,CCOC1CC(C)O[Al](OC(C)CC)(OC(C)CC)O1,"InChI=1/C6H12O3.2C4H9O.Al/c1-3-9-6(8)4-5(2)7;2*1-3-4(2)5;/h5-6H,3-4H2,1-2H3;2*4H,3H2,1-2H3;/q-2;2*-1;+3/rC14H30AlO5/c1-7-11(4)17-15(18-12(5)8-2)19-13(6)10-14(20-15)16-9-3/h11-14H,7-10H2,1-6H3/q-1",C14H27AlO5,,,,,,JHDXMLSTPHYISH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.218,246-456-6,24772-63-2,"1,8-diiodooctane","1,8-diiodooctane",ICCCCCCCCI,ICCCCCCCCI,InChI=1/C8H16I2/c9-7-5-3-1-2-4-6-8-10/h1-8H2,C8H16I2,,,,,,KZDTZHQLABJVLE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.008,249-524-3,29225-66-9,"Trisodium 1-amino-4-[[4-[[4-chloro-6-[(sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-{[4-({4-chloro-6-[(2-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)[O-])n5)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)[O-])n5)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C29H20ClN7O11S3.3Na/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3",C29H20ClN7O11S3.3Na,,,,,,KIRKGWILHWJIMS-UHFFFAOYSA-K,,,,,,,,,,,
100.042.661,246-943-3,25395-59-9,D-glucitol dilaurate,"1,2-di-O-dodecanoyl-D-glucitol",CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C30H58O8/c1-3-5-7-9-11-13-15-17-19-21-27(33)37-24-26(30(36)29(35)25(32)23-31)38-28(34)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-32,35-36H,3-24H2,1-2H3",C30H58O8,,,,,,OFZHGDJCJVCHAO-QUKNIHFLSA-N,,,,,,,,,,,
100.042.665,246-948-0,25402-06-6,"3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","3-but-2-en-1-yl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",C/C(C)=C/C2C(C(=O)OC1CC(=O)C(\\CC=CC)=C1\\C)C2(C)C,C/C(C)=C/C2C(C(=O)OC1CC(=O)C(\CC=CC)=C1\C)C2(C)C,"InChI=1/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3",C20H28O3,,,,,,FMTFEIJHMMQUJI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.672,246-955-9,25415-67-2,Ethyl 4-methylvalerate,ethyl 4-methylpentanoate,CCOC(=O)CCC(C)C,CCOC(=O)CCC(C)C,"InChI=1/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3",C8H16O2,,,,,,OFQRUTMGVBMTFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.673,246-956-4,25415-76-3,Pentyl 2-butenoate,pentyl but-2-enoate,CCCCCOC(=O)C=CC,CCCCCOC(=O)C=CC,"InChI=1/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h4,7H,3,5-6,8H2,1-2H3",C9H16O2,,,,,,PWYYERNADDIMJR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.492,250-057-2,30117-45-4,"4,4'-[hexane-1,6-diylbis[imino(1-hydroxyethylene)]]dipyrocatechol sulphate","4,4'-{hexane-1,6-diylbis[imino(2-hydroxyethane-2,1-diyl)]}dibenzene-1,2-diol sulfate (salt)",OC(Cc1ccc(O)c(O)c1)NCCCCCCNC(O)Cc2ccc(O)c(O)c2.OS(=O)(=O)O,OC(Cc1ccc(O)c(O)c1)NCCCCCCNC(O)Cc2ccc(O)c(O)c2.OS(=O)(=O)O,"InChI=1/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)13-21(29)23-9-3-1-2-4-10-24-22(30)14-16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4)",C22H32N2O6.xH2O4S,,,,,,CSCDCOQSIWXPSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.493,250-058-8,30119-19-8,2-[[3-[[(dichlorofluoromethyl)thio](trifluoromethyl)amino]benzoyl]oxy]benzoic acid,2-({3-[{[dichloro(fluoro)methyl]sulfanyl}(trifluoromethyl)amino]benzoyl}oxy)benzoic acid,OC(=O)c1ccccc1OC(=O)c2cccc(c2)N(SC(F)(Cl)Cl)C(F)(F)F,OC(=O)c1ccccc1OC(=O)c2cccc(c2)N(SC(F)(Cl)Cl)C(F)(F)F,"InChI=1/C16H9Cl2F4NO4S/c17-15(18,19)28-23(16(20,21)22)10-5-3-4-9(8-10)14(26)27-12-7-2-1-6-11(12)13(24)25/h1-8H,(H,24,25)",C16H9Cl2F4NO4S,,,,,,NBTXKWRXRYHDFF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.498,250-064-0,30128-32-6,"7-[(1,3-dioxobutyl)amino]-3-hydroxynaphthalene-1-sulphonic acid",7-(acetoacetylamino)-3-hydroxynaphthalene-1-sulfonic acid,CC(=O)CC(=O)Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)O,CC(=O)CC(=O)Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)O,"InChI=1/C14H13NO6S/c1-8(16)4-14(18)15-10-3-2-9-5-11(17)7-13(12(9)6-10)22(19,20)21/h2-3,5-7,17H,4H2,1H3,(H,15,18)(H,19,20,21)",C14H13NO6S,,,,,,OXPHXVVDAJRNTR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.381,244-435-6,21544-03-6,"Bis(2,3-epoxypropyl) cyclohex-4-ene-1,2-dicarboxylate","bis(oxiran-2-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate",O=C(OCC1CO1)C2CC=CCC2C(=O)OCC3CO3,O=C(OCC1CO1)C2CC=CCC2C(=O)OCC3CO3,"InChI=1/C14H18O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h1-2,9-12H,3-8H2",C14H18O6,,,,,,KTPIWUHKYIJBCR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.382,244-436-1,21545-54-0,1-cyclohexyl-3-(2-morpholinoethyl)thiourea,1-cyclohexyl-3-(2-morpholin-4-ylethyl)thiourea,S=C(NCCN1CCOCC1)NC2CCCCC2,S=C(NCCN1CCOCC1)NC2CCCCC2,"InChI=1/C13H25N3OS/c18-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-17-11-9-16/h12H,1-11H2,(H2,14,15,18)",C13H25N3OS,,,,,,AKYYGBUVZFGJNI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.383,244-437-7,21548-32-3,"Diethyl (1,3-dithietan-2-ylidene)phosphoramidate","diethyl 1,3-dithietan-2-ylideneamidophosphate",CCOP(=O)(OCC)N=C1SCS1,CCOP(=O)(OCC)N=C1SCS1,"InChI=1/C6H12NO3PS2/c1-3-9-11(8,10-4-2)7-6-12-5-13-6/h3-5H2,1-2H3",C6H12NO3PS2,,,,,,RHJOIOVESMTJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.393,244-448-7,21570-35-4,2-methylheptan-4-ol,2-methylheptan-4-ol,CCCC(O)CC(C)C,CCCC(O)CC(C)C,"InChI=1/C8H18O/c1-4-5-8(9)6-7(2)3/h7-9H,4-6H2,1-3H3",C8H18O,,,,,,QXPLZEKPCGUWEM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.394,244-449-2,21573-31-9,Oct-7-enal,oct-7-enal,C=CCCCCCC=O,C=CCCCCCC=O,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h2,8H,1,3-7H2",C8H14O,,,,,,LIINGNMKNRSOGW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.397,244-452-9,21578-97-2,2-ethoxyethyl 7-hydroxynaphthalene-1-carbamate,2-ethoxyethyl (7-hydroxy-1-naphthyl)carbamate,CCOCCOC(=O)Nc1cccc2ccc(O)cc12,CCOCCOC(=O)Nc1cccc2ccc(O)cc12,"InChI=1/C15H17NO4/c1-2-19-8-9-20-15(18)16-14-5-3-4-11-6-7-12(17)10-13(11)14/h3-7,10,17H,2,8-9H2,1H3,(H,16,18)",C15H17NO4,,,,,,WYRNZOUEDQCVFD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.399,244-455-5,21581-82-8,"1,1,2,3,4,4,4-heptafluoro-3-(trifluoromethyl)but-1-ene","1,1,2,3,4,4,4-heptafluoro-3-(trifluoromethyl)but-1-ene",FC(=C(F)C(F)(C(F)(F)F)C(F)(F)F)F,FC(=C(F)C(F)(C(F)(F)F)C(F)(F)F)F,"InChI=1/C5F10/c6-1(2(7)8)3(9,4(10,11)12)5(13,14)15",C5F10,,,,,,CPAQQPJFMVGXBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.400,244-456-0,21583-35-7,"Butyl hydrogen cyclohexane-1,2-dicarboxylate",2-(butoxycarbonyl)cyclohexanecarboxylic acid,CCCCOC(=O)C1CCCCC1C(=O)O,CCCCOC(=O)C1CCCCC1C(=O)O,"InChI=1/C12H20O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h9-10H,2-8H2,1H3,(H,13,14)",C12H20O4,,,,,,VRHUZZLSVQTROS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.674,245-857-3,23743-28-4,"Disodium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-(4-phenyl-2H-1,2,3-triazol-2-yl)benzenesulfonate]",[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1\\C=C\\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6,[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6,"InChI=1/C30H22N6O6S2.2Na/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;;/h1-20H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H22N6O6S2.2Na,,,,,,TVMXXLUFDNBORP-YHPRVSEPSA-L,,,,,,,,,,,
100.041.305,245-452-1,23145-46-2,Benzyl(cyclohexyl)dimethylammonium chloride,"N-benzyl-N,N-dimethylcyclohexanaminium chloride",[Cl-].C[N+](C)(Cc1ccccc1)C2CCCCC2,[Cl-].C[N+](C)(Cc1ccccc1)C2CCCCC2,"InChI=1/C15H24N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3;1H/q+1;/p-1",C15H24N.Cl,,,,,,ZYUCLFWLUQAJEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.041.314,245-462-6,23152-29-6,Virginiamycin S1,"N-(22-benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl)-3-hydroxypyridine-2-carboxamide",CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)C(C)OC(=O)[C@@H](NC(=O)C3CC(=O)CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H]5CCCN5C1=O)c6ccccc6,CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)C(C)OC(=O)[C@@H](NC(=O)C3CC(=O)CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H]5CCCN5C1=O)c6ccccc6,"InChI=1/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)",C43H49N7O10,,,,,,FEPMHVLSLDOMQC-ZVGMWUGDSA-N,,,,,,,,,,,
100.041.316,245-464-7,23158-89-6,"2-[(1,1-dimethylethyl)amino]ethyl methacrylate hydrochloride",2-(tert-butylamino)ethyl 2-methylacrylate hydrochloride,Cl.CC(=C)C(=O)OCCNC(C)(C)C,Cl.CC(=C)C(=O)OCCNC(C)(C)C,"InChI=1/C10H19NO2.ClH/c1-8(2)9(12)13-7-6-11-10(3,4)5;/h11H,1,6-7H2,2-5H3;1H",C10H19NO2.ClH,,,,,,JFXIVKSCAJLVOW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.318,245-466-8,23160-51-2,6'-(benzylamino)-3'-chlorospiro[isobenzofuran-1(3H)-9'[9H]-xanthene]-3-one,"3'-(benzylamino)-6'-chlorospiro[1-benzofuran-3,9'-xanthen]-2-one",Clc1ccc2c(Oc3cc(NCc4ccccc4)ccc3C25C(=O)Oc6ccccc56)c1,Clc1ccc2c(Oc3cc(NCc4ccccc4)ccc3C25C(=O)Oc6ccccc56)c1,"InChI=1/C27H18ClNO3/c28-18-10-12-21-24(14-18)31-25-15-19(29-16-17-6-2-1-3-7-17)11-13-22(25)27(21)20-8-4-5-9-23(20)32-26(27)30/h1-15,29H,16H2",C27H18ClNO3,,,,,,OKNBYLKGMMUSPR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.322,245-471-5,23165-46-0,"2,4,5-trichlorophenyl isothiocyanate","1,2,4-trichloro-5-isothiocyanatobenzene",Clc1cc(Cl)c(cc1Cl)N=C=S,Clc1cc(Cl)c(cc1Cl)N=C=S,InChI=1/C7H2Cl3NS/c8-4-1-6(10)7(11-3-12)2-5(4)9/h1-2H,C7H2Cl3NS,,,,,,PJLRSYLEFZNICX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.323,245-472-0,23165-53-9,3-chloro-6-isothiocyanatotoluene,4-chloro-1-isothiocyanato-2-methylbenzene,Cc1cc(Cl)ccc1N=C=S,Cc1cc(Cl)ccc1N=C=S,"InChI=1/C8H6ClNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3",C8H6ClNS,,,,,,XTYLRVPBHHRTMS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.342,245-493-5,23210-58-4,"4-benzyl-1-[ß,4-dihydroxy-a-methylphenethyl]piperidinium hydrogen tartrate",4-benzyl-1-[2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]piperidinium hydrogen tartarate,CC(C(O)c1ccc(O)cc1)[NH+]2CCC(Cc3ccccc3)CC2.OC(C(O)C(=O)[O-])C(=O)[O-],CC(C(O)c1ccc(O)cc1)[NH+]2CCC(Cc3ccccc3)CC2.OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C21H27NO2.C4H6O6/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/p-1",C21H27NO2.xC4H6O6,,,,,,FFYMSFGBEJMSFP-UHFFFAOYSA-M,,,,,,,,,,,
100.046.174,250-807-9,31795-24-1,Potassium methylsilanetriolate,tripotassium methylsilanetriolate,[K+].[K+].[K+].C[Si]([O-])([O-])[O-],[K+].[K+].[K+].C[Si]([O-])([O-])[O-],"InChI=1/CH3O3Si.3K/c1-5(2,3)4;;;/h1H3;;;/q-3;3*+1",CH6O3Si.xK,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2216,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.174,UAEHYLMDLZKQTP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.179,250-813-1,31805-48-8,2-ethyl-3-methylthiophene,2-ethyl-3-methylthiophene,CCc1sccc1C,CCc1sccc1C,"InChI=1/C7H10S/c1-3-7-6(2)4-5-8-7/h4-5H,3H2,1-2H3",C7H10S,,,,,,VVSCPYCHXFEKLF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.185,250-819-4,31820-78-7,Sodium 8-anilino-5-[[4-(phenylazo)-1-naphthyl]azo]naphthalene-1-sulphonate,sodium 8-anilino-5-{[4-(phenyldiazenyl)-1-naphthyl]diazenyl}naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3ccccc3)c4ccccc45,[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3ccccc3)c4ccccc45,"InChI=1/C32H23N5O3S.Na/c38-41(39,40)31-17-9-16-26-29(20-21-30(32(26)31)33-22-10-3-1-4-11-22)37-36-28-19-18-27(24-14-7-8-15-25(24)28)35-34-23-12-5-2-6-13-23;/h1-21,33H,(H,38,39,40);/q;+1/p-1",C32H23N5O3S.Na,,,,,,BSILJAZPRYAVCO-UHFFFAOYSA-M,,,,,,,,,,,
100.046.189,250-824-1,31828-68-9,(S)-3-aminodihydrothiophen-2(3H)-one hydrochloride,3-aminodihydrothiophen-2(3H)-one hydrochloride,Cl.N[C@H]1CCSC1=O,Cl.N[C@H]1CCSC1=O,"InChI=1/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H",C4H7NOS.ClH,,,,,,ZSEGSUBKDDEALH-DFWYDOINSA-N,,,,,,,,,,,
100.046.194,250-829-9,31835-45-7,"[1,1'-biphenyl]-2,3'-diol","biphenyl-2,3'-diol",Oc1cccc(c1)c2ccccc2O,Oc1cccc(c1)c2ccccc2O,"InChI=1/C12H10O2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h1-8,13-14H",C12H10O2,,,,,,XKZQKPRCPNGNFR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.662,246-944-9,25395-66-8,(stearoyloxy)-L-ascorbic acid,"2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl stearate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O,CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O,"InChI=1/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3",C24H42O7,,,,,,LITUBCVUXPBCGA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.668,246-951-7,25409-39-6,Ethyl 2-acetoxy-2-methylacetoacetate,ethyl 2-acetoxy-2-methyl-3-oxobutanoate,CCOC(=O)C(C)(OC(=O)C)C(=O)C,CCOC(=O)C(C)(OC(=O)C)C(=O)C,"InChI=1/C9H14O5/c1-5-13-8(12)9(4,6(2)10)14-7(3)11/h5H2,1-4H3",C9H14O5,,,,,,RHFWCEYBHLGCKH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.669,246-952-2,25412-75-3,4-nitrobenzamidine,4-nitrobenzenecarboximidamide,NC(=N)c1ccc(cc1)[N+](=O)[O-],NC(=N)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7N3O2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9)",C7H7N3O2,,,,,,RNYJYWQMEZWWPT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.677,246-961-1,25417-58-7,N-octadecylaniline,N-octadecylaniline,CCCCCCCCCCCCCCCCCCNc1ccccc1,CCCCCCCCCCCCCCCCCCNc1ccccc1,"InChI=1/C24H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h17-19,21-22,25H,2-16,20,23H2,1H3",C24H43N,,,,,,UEKWTIYPDJLSKK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.684,246-969-5,25423-85-2,Tetraoctylammonium perchlorate,"N,N,N-trioctyloctan-1-aminium perchlorate",CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[O-]Cl(=O)(=O)=O,CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[O-]Cl(=O)(=O)=O,"InChI=1/C32H68N.ClHO4/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;2-1(3,4)5/h5-32H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C32H68N.ClO4,,,,,,OHARBZYXGSYWKN-UHFFFAOYSA-M,,,,,,,,,,,
100.042.690,246-975-8,25430-52-8,"5,10-diethyltetradec-7-yne-6,9-diol","5,10-diethyltetradec-7-yne-6,9-diol",CCCCC(CC)C(O)C#CC(O)C(CC)CCCC,CCCCC(CC)C(O)C#CC(O)C(CC)CCCC,"InChI=1/C18H34O2/c1-5-9-11-15(7-3)17(19)13-14-18(20)16(8-4)12-10-6-2/h15-20H,5-12H2,1-4H3",C18H34O2,,,,,,VCMIUIRQHPCSPB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.691,246-976-3,25431-45-2,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene","3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C9H3F15/c1-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2H,1H2",C9H3F15,,,,,,RXZWAMINHJDYKW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.692,246-977-9,25435-53-4,"2,2,3-trimethylcyclopent-3-ene-1-acetic acid","(2,2,3-trimethylcyclopent-3-en-1-yl)acetic acid",CC1=CCC(CC(=O)O)C1(C)C,CC1=CCC(CC(=O)O)C1(C)C,"InChI=1/C10H16O2/c1-7-4-5-8(6-9(11)12)10(7,2)3/h4,8H,5-6H2,1-3H3,(H,11,12)",C10H16O2,,,,,,RKLDHGIEBMSKAK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.693,246-978-4,25435-63-6,2-pentylcyclohex-2-en-1-one,2-pentylcyclohex-2-en-1-one,CCCCCC1=CCCCC1=O,CCCCCC1=CCCCC1=O,"InChI=1/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h8H,2-7,9H2,1H3",C11H18O,,,,,,UDFUFXGJDJZSJD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.375,244-428-8,21538-06-7,"Benzene-1,3,5-trisulphonyl trichloride","benzene-1,3,5-trisulfonyl trichloride",ClS(=O)(=O)c1cc(cc(c1)S(=O)(=O)Cl)S(=O)(=O)Cl,ClS(=O)(=O)c1cc(cc(c1)S(=O)(=O)Cl)S(=O)(=O)Cl,"InChI=1/C6H3Cl3O6S3/c7-16(10,11)4-1-5(17(8,12)13)3-6(2-4)18(9,14)15/h1-3H",C6H3Cl3O6S3,,,,,,HDPRVQJRZUJZPT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.377,244-430-9,21539-72-0,Sodium N-methyl-N-(1-oxotetradecyl)-ß-alaninate,sodium 3-[methyl(tetradecanoyl)amino]propanoate,[Na+].CCCCCCCCCCCCCC(=O)N(C)CCC(=O)[O-],[Na+].CCCCCCCCCCCCCC(=O)N(C)CCC(=O)[O-],"InChI=1/C18H35NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19(2)16-15-18(21)22;/h3-16H2,1-2H3,(H,21,22);/q;+1/p-1",C18H35NO3.Na,,,,,,ISONEALTCIBOKV-UHFFFAOYSA-M,,,,,,,,,,,
100.040.380,244-434-0,21544-02-5,2-aminocyclopentanemethylamine,2-(aminomethyl)cyclopentanamine,NCC1CCCC1N,NCC1CCCC1N,"InChI=1/C6H14N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-4,7-8H2",C6H14N2,,,,,,SRGQQZYVZFJYHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.387,244-441-9,21553-46-8,"3,5-dimethyl-p-anisic acid","4-methoxy-3,5-dimethylbenzoic acid",COc1c(C)cc(cc1C)C(=O)O,COc1c(C)cc(cc1C)C(=O)O,"InChI=1/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)",C10H12O3,,,,,,WXVQURJGDUNJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.395,244-450-8,21577-80-0,Dodecyl hydrogen phthalate,2-[(dodecyloxy)carbonyl]benzoic acid,CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O,CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C20H30O4/c1-2-3-4-5-6-7-8-9-10-13-16-24-20(23)18-15-12-11-14-17(18)19(21)22/h11-12,14-15H,2-10,13,16H2,1H3,(H,21,22)",C20H30O4,,,,,,WGQVJOPQTOUKDI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.396,244-451-3,21578-94-9,"Bis(1,1-dimethylethyl) dioxyterephthalate","di-tert-butyl benzene-1,4-dicarboperoxoate",CC(C)(C)OOC(=O)c1ccc(cc1)C(=O)OOC(C)(C)C,CC(C)(C)OOC(=O)c1ccc(cc1)C(=O)OOC(C)(C)C,"InChI=1/C16H22O6/c1-15(2,3)21-19-13(17)11-7-9-12(10-8-11)14(18)20-22-16(4,5)6/h7-10H,1-6H3",C16H22O6,,,,,,MEBDAPKZBGYVCA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.013,249-530-6,29240-17-3,tert-pentyl peroxypivalate,"1,1-dimethylpropyl 2,2-dimethylpropaneperoxoate",CCC(C)(C)OOC(=O)C(C)(C)C,CCC(C)(C)OOC(=O)C(C)(C)C,"InChI=1/C10H20O3/c1-7-10(5,6)13-12-8(11)9(2,3)4/h7H2,1-6H3",C10H20O3,,,,,,AQKYLAIZOGOPAW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.014,249-531-1,29243-26-3,Bis(p-anilinophenyl)[4-[(3-methylphenyl)amino]phenyl]methylium sulphate (2:1),bis[bis(4-anilinophenyl){4-[(3-methylphenyl)amino]phenyl}methylium] sulfate,Cc1cccc(Nc2ccc(cc2)[C+](c3ccc(Nc4ccccc4)cc3)c5ccc(Nc6ccccc6)cc5)c1.Cc7cccc(Nc8ccc(cc8)[C+](c9ccc(Nc%10ccccc%10)cc9)c%11ccc(Nc%12ccccc%12)cc%11)c7.[O-]S(=O)(=O)[O-],Cc1cccc(Nc2ccc(cc2)[C+](c3ccc(Nc4ccccc4)cc3)c5ccc(Nc6ccccc6)cc5)c1.Cc7cccc(Nc8ccc(cc8)[C+](c9ccc(Nc%10ccccc%10)cc9)c%11ccc(Nc%12ccccc%12)cc%11)c7.[O-]S(=O)(=O)[O-],"InChI=1/2C38H33N3.H2O4S/c2*1-28-9-8-14-37(27-28)41-36-25-19-31(20-26-36)38(29-15-21-34(22-16-29)39-32-10-4-2-5-11-32)30-17-23-35(24-18-30)40-33-12-6-3-7-13-33;1-5(2,3)4/h2*2-27,38-41H,1H3;(H2,1,2,3,4)/q2*+1;/p-2",C38H32N3.1/2O4S,,,,,,KAYDFEZJPMWJMG-UHFFFAOYSA-L,,,,,,,,,,,
100.045.016,249-533-2,29245-44-1,"5-bromo-2-(5-bromo-4-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-4-chloro-1,2-dihydro-3H-indol-3-one","5,5'-dibromo-4,4'-dichloro-2,2'-biindole-3,3'(1H,1'H)-dione",Clc3c(Br)ccc4NC(=C2Nc1ccc(Br)c(Cl)c1C2=O)C(=O)c34,Clc3c(Br)ccc4NC(=C2Nc1ccc(Br)c(Cl)c1C2=O)C(=O)c34,"InChI=1/C16H6Br2Cl2N2O2/c17-5-1-3-7-9(11(5)19)15(23)13(21-7)14-16(24)10-8(22-14)4-2-6(18)12(10)20/h1-4,21-22H",C16H6Br2Cl2N2O2,,,,,,FPVYDTKAOGFJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.017,249-534-8,29246-97-7,4'-dodecyl-3-hydroxynaphth-2-anilide,N-(4-dodecylphenyl)-3-hydroxy-2-naphthamide,CCCCCCCCCCCCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,CCCCCCCCCCCCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,"InChI=1/C29H37NO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-17-19-26(20-18-23)30-29(32)27-21-24-15-12-13-16-25(24)22-28(27)31/h12-13,15-22,31H,2-11,14H2,1H3,(H,30,32)",C29H37NO2,,,,,,RSEDMFBYNDMBTA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.024,249-542-1,29267-67-2,2-methoxyresorcinol,"2-methoxybenzene-1,3-diol",COc1c(O)cccc1O,COc1c(O)cccc1O,"InChI=1/C7H8O3/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3",C7H8O3,,,,,,QFYYAIBEHOEZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.026,249-544-2,29288-99-1,"1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate","3-acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1)",CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I,"InChI=1/C12H11I3N2O5.C7H17NO5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;1-8-2-4(10)6(12)7(13)5(11)3-9/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);4-13H,2-3H2,1H3",C12H11I3N2O5.C7H17NO5,,,,,,IFTFXKNYTWAOGK-WZTVWXICSA-N,,,,,,,,,,,
100.045.029,249-547-9,29299-35-2,Calcium bis[didodecylbenzenesulphonate],"calcium bis(2,3-didodecylbenzenesulfonate)",[Ca+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-],[Ca+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/2C30H54O3S.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+2/p-2",C30H54O3S.1/2Ca,,,,,,BCBMWLMZWGMGOM-UHFFFAOYSA-L,,,,,,,,,,,
100.045.032,249-551-0,29312-59-2,"4-(2,6-diphenyl-4-pyridyl)-N,N-dimethylaniline","4-(2,6-diphenylpyridin-4-yl)-N,N-dimethylaniline",CN(C)c1ccc(cc1)c2cc(nc(c2)c3ccccc3)c4ccccc4,CN(C)c1ccc(cc1)c2cc(nc(c2)c3ccccc3)c4ccccc4,"InChI=1/C25H22N2/c1-27(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)26-25(18-22)21-11-7-4-8-12-21/h3-18H,1-2H3",C25H22N2,,,,,,NWKIYBPNACDLOB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.034,249-553-1,29316-05-0,sec-pentylbenzene,(1-methylbutyl)benzene,CCCC(C)c1ccccc1,CCCC(C)c1ccccc1,"InChI=1/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3",C11H16,,,,,,LTHAIAJHDPJXLG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.040,249-559-4,29329-71-3,"(1-hydroxyethylidene)bisphosphonic acid, sodium salt",sodium hydrogen (1-hydroxy-1-phosphonoethyl)phosphonate,[Na+].CC(O)(P(=O)(O)O)P(=O)(O)[O-],[Na+].CC(O)(P(=O)(O)O)P(=O)(O)[O-],"InChI=1/C2H8O7P2.Na/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);/q;+1/p-1",C2H8O7P2.xNa,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15211,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.040,MKJHAUJMSPBJTL-UHFFFAOYSA-M,,,,,,,,,,,
100.045.041,249-561-5,29329-88-2,"1,3-diethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate","1,3-diethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium 4-methylbenzenesulfonate",CCN1C(\\C=C\\c2c(c3ccccc3)n(C)c4ccccc24)[NH+](CC)c5nc6ccccc6nc15.Cc7ccc(cc7)S(=O)(=O)[O-],CCN1C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)[NH+](CC)c5nc6ccccc6nc15.Cc7ccc(cc7)S(=O)(=O)[O-],"InChI=1/C30H29N5.C7H8O3S/c1-4-34-27(35(5-2)30-29(34)31-24-16-10-11-17-25(24)32-30)20-19-23-22-15-9-12-18-26(22)33(3)28(23)21-13-7-6-8-14-21;1-6-2-4-7(5-3-6)11(8,9)10/h6-20,27H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)",C30H28N5.C7H7O3S,,,,,,RFQAAUHMUSZNFK-RZLHGTIFSA-N,,,,,,,,,,,
100.045.043,249-563-6,29330-29-8,"2-[2-(1,2-diphenyl-1H-indol-3-yl)vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium perchlorate","2-[2-(1,2-diphenyl-1H-indol-3-yl)vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridin-1-ium perchlorate",C[N+]1=C(\\C=C\\c2c(c3ccccc3)n(c4ccccc4)c5ccccc25)C(C)(C)c6cccnc16.[O-]Cl(=O)(=O)=O,C[N+]1=C(\C=C\c2c(c3ccccc3)n(c4ccccc4)c5ccccc25)C(C)(C)c6cccnc16.[O-]Cl(=O)(=O)=O,"InChI=1/C32H28N3.ClHO4/c1-32(2)27-18-12-22-33-31(27)34(3)29(32)21-20-26-25-17-10-11-19-28(25)35(24-15-8-5-9-16-24)30(26)23-13-6-4-7-14-23;2-1(3,4)5/h4-22H,1-3H3;(H,2,3,4,5)/q+1;/p-1",C32H28N3.ClO4,,,,,,ZPMURFGDZAMKLO-UHFFFAOYSA-M,,,,,,,,,,,
100.040.404,244-460-2,21585-16-0,"2,3-dihydro-5-(2-hydroxyethyl)-6-methyl-2-thioxo-1H-pyrimidin-4-one","5-(2-hydroxyethyl)-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",CC1=C(CCO)C(=O)NC(=S)N1,CC1=C(CCO)C(=O)NC(=S)N1,"InChI=1/C7H10N2O2S/c1-4-5(2-3-10)6(11)9-7(12)8-4/h10H,2-3H2,1H3,(H2,8,9,11,12)",C7H10N2O2S,,,,,,ADOJVBUVXRZBHE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.405,244-461-8,21587-74-6,"3,3'-(2,4,8,10-tetraoxaspiro[5.5]undecan-3,9-ylene)bis(propylamine)","3,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)dipropan-1-amine",NCCCC1OCC2(COC(CCCN)OC2)CO1,NCCCC1OCC2(COC(CCCN)OC2)CO1,"InChI=1/C13H26N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-10,14-15H2",C13H26N2O4,,,,,,ANOPCGQVRXJHHD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.407,244-463-9,21590-92-1,Etomidoline,2-ethyl-3-{[4-(2-piperidin-1-ylethoxy)phenyl]amino}isoindolin-1-one,CCN1C(Nc2ccc(OCCN3CCCCC3)cc2)c4ccccc4C1=O,CCN1C(Nc2ccc(OCCN3CCCCC3)cc2)c4ccccc4C1=O,"InChI=1/C23H29N3O2/c1-2-26-22(20-8-4-5-9-21(20)23(26)27)24-18-10-12-19(13-11-18)28-17-16-25-14-6-3-7-15-25/h4-5,8-13,22,24H,2-3,6-7,14-17H2,1H3",C23H29N3O2,,,,,,ITIONVBQFUNVJV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.408,244-464-4,21591-86-6,3-(2-aminoethyl)indol-5-ol hydrochloride,3-(2-aminoethyl)-1H-indol-5-ol hydrochloride,Cl.NCCc1c[nH]c2ccc(O)cc12,Cl.NCCc1c[nH]c2ccc(O)cc12,"InChI=1/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H",C10H12N2O.xClH,,,,,,MDIGAZPGKJFIAH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.372,246-625-4,25111-05-1,"2-ethyl-2-(hydroxymethyl)-1,3-propanediyl dioleate",2-(hydroxymethyl)-2-[(oleoyloxy)methyl]butyl octadec-9-enoate (non-preferred name),CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C42H78O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(44)46-38-42(6-3,37-43)39-47-41(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,43H,4-18,23-39H2,1-3H3",C42H78O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12843,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.372,NKSZWBYBTXAALC-WRBBJXAJSA-N,,,,,,,,,,,
100.044.000,248-415-8,27338-59-6,4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-one,4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-one,CC(=O)CCN1CCN(CC1)c2ccc(F)cc2,CC(=O)CCN1CCN(CC1)c2ccc(F)cc2,"InChI=1/C14H19FN2O/c1-12(18)6-7-16-8-10-17(11-9-16)14-4-2-13(15)3-5-14/h2-5H,6-11H2,1H3",C14H19FN2O,,,,,,IVTQRSPPLVLOMK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.002,248-417-9,27341-33-9,1-amino-4-[(methoxyphenyl)amino]anthraquinone,"1-amino-4-[(2-methoxyphenyl)amino]-9,10-anthraquinone",COc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,COc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C21H16N2O3/c1-26-17-9-5-4-8-15(17)23-16-11-10-14(22)18-19(16)21(25)13-7-3-2-6-12(13)20(18)24/h2-11,23H,22H2,1H3",C21H16N2O3,,,,,,KCHSQBUPMQJKRM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.007,248-423-1,27348-32-9,"L-aspartic acid, compound with L-lysine (1:1)",L-aspartic acid - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C6H14N2O2.C4H7NO4/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)",C6H14N2O2.C4H7NO4,,,,,,CPYVQXAASIFAMD-KNIFDHDWSA-N,,,,,,,,,,,
100.044.008,248-424-7,27351-96-8,"1,5-bis(isopropyl)naphthalene","1,5-diisopropylnaphthalene",CC(C)c1cccc2c(cccc12)C(C)C,CC(C)c1cccc2c(cccc12)C(C)C,"InChI=1/C16H20/c1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16/h5-12H,1-4H3",C16H20,,,,,,GFZWCYSEPXDDRI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.014,248-431-5,27367-90-4,Niaprazine,N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpropyl}nicotinamide,CC(CCN1CCN(CC1)c2ccc(F)cc2)NC(=O)c3cccnc3,CC(CCN1CCN(CC1)c2ccc(F)cc2)NC(=O)c3cccnc3,"InChI=1/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)",C20H25FN4O,,,,,,RSKQGBFMNPDPLR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.022,248-439-9,27394-81-6,"5-(4-methoxyphenyl)penta-2,4-dienal","5-(4-methoxyphenyl)penta-2,4-dienal",COc1ccc(C=CC=CC=O)cc1,COc1ccc(C=CC=CC=O)cc1,"InChI=1/C12H12O2/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h2-10H,1H3",C12H12O2,,,,,,IMYIHKBGPIBXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.023,248-440-4,27394-99-6,N-(1-cyanoethyl)formamide,N-(1-cyanoethyl)formamide,CC(NC=O)C#N,CC(NC=O)C#N,"InChI=1/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)",C4H6N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11988,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.023,ONONIESHMTZAKB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.025,248-443-0,27400-79-9,Henicosene,henicos-1-ene,CCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3",C21H42,,,,,,JTOGFHAZQVDOAO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.028,248-446-7,27413-92-9,"2,5-dimethoxy-4-[(p-tolyl)thio]benzenediazonium tetrafluoroborate","2,5-dimethoxy-4-[(4-methylphenyl)sulfanyl]benzenediazonium tetrafluoroborate",COc1cc([N+]#N)c(OC)cc1Sc2ccc(C)cc2.F[B-](F)(F)F,COc1cc([N+]#N)c(OC)cc1Sc2ccc(C)cc2.F[B-](F)(F)F,"InChI=1/C15H15N2O2S.BF4/c1-10-4-6-11(7-5-10)20-15-9-13(18-2)12(17-16)8-14(15)19-3;2-1(3,4)5/h4-9H,1-3H3;/q+1;-1",C15H15N2O2S.BF4,,,,,,OATQTPAYCSQNHI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.033,248-451-4,27425-55-4,3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-benzopyrone,3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4[nH]3,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4[nH]3,"InChI=1/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)",C20H19N3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17346,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.033,GOLORTLGFDVFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.198,250-834-6,31842-61-2,"(R*,S*)-4-(hydroxypiperidin-2-ylmethyl)pyrocatechol hydrobromide","4-[hydroxy(piperidin-2-yl)methyl]benzene-1,2-diol hydrobromide",Br.OC(C1CCCCN1)c2ccc(O)c(O)c2,Br.OC(C1CCCCN1)c2ccc(O)c(O)c2,"InChI=1/C12H17NO3.BrH/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9;/h4-5,7,9,12-16H,1-3,6H2;1H",C12H17NO3.BrH,,,,,,QPYZEEKXUYXZBK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.215,250-852-4,31883-01-9,5-ethyl-4-methylthiazole,"5-ethyl-4-methyl-1,3-thiazole",CCc1scnc1C,CCc1scnc1C,"InChI=1/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3",C6H9NS,,,,,,XPQULTFBJPGINB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.217,250-855-0,31883-98-4,3-methylcyclohex-3-en-1-one,3-methylcyclohex-3-en-1-one,CC1=CCCC(=O)C1,CC1=CCCC(=O)C1,"InChI=1/C7H10O/c1-6-3-2-4-7(8)5-6/h3H,2,4-5H2,1H3",C7H10O,,,,,,MHBNXZDNKOXHCX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.674,250-258-5,30605-60-8,Calcium bis(hydroxytoluenesulphonate),calcium bis(2-hydroxy-6-methylbenzenesulfonate),[Ca+2].Cc1cccc(O)c1S(=O)(=O)[O-].Cc2cccc(O)c2S(=O)(=O)[O-],[Ca+2].Cc1cccc(O)c1S(=O)(=O)[O-].Cc2cccc(O)c2S(=O)(=O)[O-],"InChI=1/2C7H8O4S.Ca/c2*1-5-3-2-4-6(8)7(5)12(9,10)11;/h2*2-4,8H,1H3,(H,9,10,11);/q;;+2/p-2",C7H8O4S.1/2Ca,,,,,,MAFRHNZCKADQQI-UHFFFAOYSA-L,,,,,,,,,,,
100.045.676,250-260-6,30607-37-5,Methyloctylphenol,2-(1-methyloctyl)phenol,CCCCCCCC(C)c1ccccc1O,CCCCCCCC(C)c1ccccc1O,"InChI=1/C15H24O/c1-3-4-5-6-7-10-13(2)14-11-8-9-12-15(14)16/h8-9,11-13,16H,3-7,10H2,1-2H3",C15H24O,,,,,,LQONMLFUIKXNDX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.678,250-262-7,30614-77-8,"Diethyl furan-3,4-dicarboxylate","diethyl furan-3,4-dicarboxylate",CCOC(=O)c1cocc1C(=O)OCC,CCOC(=O)c1cocc1C(=O)OCC,"InChI=1/C10H12O5/c1-3-14-9(11)7-5-13-6-8(7)10(12)15-4-2/h5-6H,3-4H2,1-2H3",C10H12O5,,,,,,ZODFWNHYQARJLC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.687,250-272-1,30651-43-5,(S)-S-(2-amino-2-carboxyethyl)-D-homocysteine,N-(2-amino-2-carboxyethyl)-D-homocysteine,NC(CN[C@H](CCS)C(=O)O)C(=O)O,NC(CN[C@H](CCS)C(=O)O)C(=O)O,"InChI=1/C7H14N2O4S/c8-4(6(10)11)3-9-5(1-2-14)7(12)13/h4-5,9,14H,1-3,8H2,(H,10,11)(H,12,13)",C7H14N2O4S,,,,,,YWUZXGLTKKSBCB-BRJRFNKRSA-N,,,,,,,,,,,
100.045.692,250-277-9,30672-70-9,2-fluorosulphonylbenzenesulphonyl chloride,2-(chlorosulfonyl)benzenesulfonyl fluoride,FS(=O)(=O)c1ccccc1S(=O)(=O)Cl,FS(=O)(=O)c1ccccc1S(=O)(=O)Cl,"InChI=1/C6H4ClFO4S2/c7-13(9,10)5-3-1-2-4-6(5)14(8,11)12/h1-4H",C6H4ClFO4S2,,,,,,UHOQOZLYSJNPJR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.693,250-278-4,30672-72-1,4-fluorosulphonylbenzenesulphonyl chloride,4-(chlorosulfonyl)benzenesulfonyl fluoride,FS(=O)(=O)c1ccc(cc1)S(=O)(=O)Cl,FS(=O)(=O)c1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C6H4ClFO4S2/c7-13(9,10)5-1-3-6(4-2-5)14(8,11)12/h1-4H",C6H4ClFO4S2,,,,,,SUSSWTNBQQOZNN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.697,250-283-1,30673-60-0,Propyl decanoate,propyl decanoate,CCCCCCCCCC(=O)OCCC,CCCCCCCCCC(=O)OCCC,"InChI=1/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3",C13H26O2,,,,,,OVFMRFMJVFDSAA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.698,250-284-7,30674-80-7,2-isocyanatoethyl methacrylate,2-isocyanatoethyl methacrylate,CC(=C)C(=O)OCCN=C=O,CC(=C)C(=O)OCCN=C=O,"InChI=1/C7H9NO3/c1-6(2)7(10)11-4-3-8-5-9/h1,3-4H2,2H3",C7H9NO3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5762,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.698,RBQRWNWVPQDTJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.702,250-288-9,30682-81-6,"2,4-dihydro-4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione","4-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione",CN1C(=S)NN=C1C(F)(F)F,CN1C(=S)NN=C1C(F)(F)F,"InChI=1/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)",C4H4F3N3S,,,,,,HUZASKHMPBJXJP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.703,250-289-4,30683-74-0,3-hydroxytridecanenitrile,3-hydroxytridecanenitrile,CCCCCCCCCCC(O)CC#N,CCCCCCCCCCC(O)CC#N,"InChI=1/C13H25NO/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14/h13,15H,2-11H2,1H3",C13H25NO,,,,,,BMSKXVOVAICYGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.705,250-292-0,30685-43-9,Metildigoxin,"3-{[2,6-dideoxy-4-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,"InChI=1/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3",C42H66O14,,,,,,IYJMSDVSVHDVGT-PEQKVOOWSA-N,,,,,,,,,,,
100.045.706,250-293-6,30685-95-1,"(E)-(±)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",CC(=O)C=CC1C(=CCCC1(C)C)C,CC(=O)C=CC1C(=CCCC1(C)C)C,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3",C13H20O,,,,,,UZFLPKAIBPNNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.402,244-458-1,21584-04-3,2-[[[4-(dimethylamino)phenyl]imino]methyl]-1-ethylquinolinium iodide,2-({[4-(dimethylamino)phenyl]imino}methyl)-1-ethylquinolinium iodide,[I-].CN(C)c1ccc(cc1)N=Cc3ccc2ccccc2[n+]3CC,[I-].CN(C)c1ccc(cc1)N=Cc3ccc2ccccc2[n+]3CC,"InChI=1/C20H22N3.HI/c1-4-23-19(12-9-16-7-5-6-8-20(16)23)15-21-17-10-13-18(14-11-17)22(2)3;/h5-15H,4H2,1-3H3;1H/q+1;/p-1",C20H22N3.I,,,,,,KVJKLJUBTXOKEC-UHFFFAOYSA-M,,,,,,,,,,,
100.040.409,244-466-5,21593-23-7,Cefapirin,3-(acetoxymethyl)-8-oxo-7-{[(pyridin-4-ylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O,"InChI=1/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)",C17H17N3O6S2,,,,,,UQLLWWBDSUHNEB-CZUORRHYSA-N,,,,,,,,,,,
100.042.369,246-622-8,25108-73-0,"1-(2,2-dichloro-1-methylcyclopropyl)-4-fluorobenzene","1-(2,2-dichloro-1-methylcyclopropyl)-4-fluorobenzene",CC1(CC1(Cl)Cl)c2ccc(F)cc2,CC1(CC1(Cl)Cl)c2ccc(F)cc2,"InChI=1/C10H9Cl2F/c1-9(6-10(9,11)12)7-2-4-8(13)5-3-7/h2-5H,6H2,1H3",C10H9Cl2F,,,,,,ZATYZDDQMIUDIB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.370,246-623-3,25109-28-8,1-bromo-4-cyclohexylbenzene,1-bromo-4-cyclohexylbenzene,Brc1ccc(cc1)C2CCCCC2,Brc1ccc(cc1)C2CCCCC2,"InChI=1/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2",C12H15Br,,,,,,LVIJLEREXMVRAN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.374,246-628-0,25112-68-9,Sodium 2-thenoate,sodium thiophene-2-carboxylate,[Na+].[O-]C(=O)c1cccs1,[Na+].[O-]C(=O)c1cccs1,"InChI=1/C5H4O2S.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1",C5H4O2S.Na,,,,,,LKYIPGJOXSVWPX-UHFFFAOYSA-M,,,,,,,,,,,
100.044.003,248-418-4,27342-69-4,Tetramethyltetravinylcyclotetrasiloxane,"2,2,4,4-tetramethyl-6,6,8,8-tetravinyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(C)O[Si](C)(C)O[Si](O[Si](O1)(C=C)C=C)(C=C)C=C,C[Si]1(C)O[Si](C)(C)O[Si](O[Si](O1)(C=C)C=C)(C=C)C=C,"InChI=1/C12H24O4Si4/c1-9-19(10-2)14-17(5,6)13-18(7,8)15-20(11-3,12-4)16-19/h9-12H,1-4H2,5-8H3",C12H24O4Si4,,,,,,YIZXKRBCNIVFMD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.006,248-422-6,27344-43-0,"Tetramethyl [[1,1'-biphenyl]-4,4'-diylbis(methylene)]bisphosphonate","tetramethyl [biphenyl-4,4'-diylbis(methylene)]bis(phosphonate)",COP(=O)(Cc1ccc(cc1)c2ccc(CP(=O)(OC)OC)cc2)OC,COP(=O)(Cc1ccc(cc1)c2ccc(CP(=O)(OC)OC)cc2)OC,"InChI=1/C18H24O6P2/c1-21-25(19,22-2)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-26(20,23-3)24-4/h5-12H,13-14H2,1-4H3",C18H24O6P2,,,,,,YVTQGHMZUNKCTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.016,248-433-6,27375-52-6,N-[4-[(2-hydroxyethyl)sulphonyl]phenyl]acetamide,N-{4-[(2-hydroxyethyl)sulfonyl]phenyl}acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)CCO,CC(=O)Nc1ccc(cc1)S(=O)(=O)CCO,"InChI=1/C10H13NO4S/c1-8(13)11-9-2-4-10(5-3-9)16(14,15)7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)",C10H13NO4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12387,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.016,XIICKRYAUAVEQS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.018,248-435-7,27379-61-9,D-glucitol monodocosanoate,1-O-docosanoyl-D-glucitol,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C28H56O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(32)35-23-25(31)28(34)27(33)24(30)22-29/h24-25,27-31,33-34H,2-23H2,1H3",C28H56O7,,,,,,VQKVFXNUYRALRU-QEFMBMMRSA-N,,,,,,,,,,,
100.044.024,248-442-5,27400-77-7,Nonadecene,nonadec-1-ene,CCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCC=C,"InChI=1/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3",C19H38,,,,,,NHLUYCJZUXOUBX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.030,248-448-8,27415-21-0,"2,3-dipropyloxirane","2,3-dipropyloxirane",CCCC1OC1CCC,CCCC1OC1CCC,"InChI=1/C8H16O/c1-3-5-7-8(9-7)6-4-2/h7-8H,3-6H2,1-2H3",C8H16O,,,,,,OAPBFTJGJWJJTR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.032,248-450-9,27419-90-5,3-[[2-(2-cyanoethoxy)ethyl]phenylamino]propiononitrile,3-{[2-(2-cyanoethoxy)ethyl](phenyl)amino}propanenitrile,N#CCCOCCN(CCC#N)c1ccccc1,N#CCCOCCN(CCC#N)c1ccccc1,"InChI=1/C14H17N3O/c15-8-4-10-17(11-13-18-12-5-9-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,10-13H2",C14H17N3O,,,,,,AEMNOPYAEDEKIP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.575,250-148-7,30361-29-6,"(2E,4E)-undeca-2,4-dienal","undeca-2,4-dienal",CCCCCC\\C=C\\C=C\\C=O,CCCCCC\C=C\C=C\C=O,"InChI=1/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-11H,2-6H2,1H3",C11H18O,,,,,,UVIUIIFPIWRILL-XBLVEGMJSA-N,,,,,,,,,,,
100.045.581,250-155-5,30369-89-2,"N-(4,6-dichloro-1,3,5-triazin-2-yl)benzenesulphonamide","N-(4,6-dichloro-1,3,5-triazin-2-yl)benzenesulfonamide",Clc1nc(Cl)nc(NS(=O)(=O)c2ccccc2)n1,Clc1nc(Cl)nc(NS(=O)(=O)c2ccccc2)n1,"InChI=1/C9H6Cl2N4O2S/c10-7-12-8(11)14-9(13-7)15-18(16,17)6-4-2-1-3-5-6/h1-5H,(H,12,13,14,15)",C9H6Cl2N4O2S,,,,,,ALNLGFPQRQFZBP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.585,250-159-7,30377-52-7,Ethyl perfluorononan-1-oate,ethyl heptadecafluorononanoate,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H5F17O2/c1-2-30-3(29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H2,1H3",C11H5F17O2,,,,,,DRLDSHOYANTUND-UHFFFAOYSA-N,,,,,,,,,,,
100.045.605,250-181-7,30408-61-8,"4-ethyl-2,5-dimethyloxazole","4-ethyl-2,5-dimethyl-1,3-oxazole",CCc1nc(C)oc1C,CCc1nc(C)oc1C,"InChI=1/C7H11NO/c1-4-7-5(2)9-6(3)8-7/h4H2,1-3H3",C7H11NO,,,,,,YZZBROGKUWYQOL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.045,249-565-7,29332-74-9,(Z)-N-(carboxymethyl)-N-(1-oxo-9-octadecenyl)glycine,"2,2'-(oleoylimino)diacetic acid",CCCCCCCC\\C=C/CCCCCCCC(=O)N(CC(=O)O)CC(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)N(CC(=O)O)CC(=O)O,"InChI=1/C22H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23(18-21(25)26)19-22(27)28/h9-10H,2-8,11-19H2,1H3,(H,25,26)(H,27,28)",C22H39NO5,,,,,,NOYJVHLJXVQHFO-KTKRTIGZSA-N,,,,,,,,,,,
100.045.047,249-567-8,29334-07-4,Sulmarin,"4-methyl-2-oxo-2H-chromene-6,7-diyl bis(hydrogen sulfate)",CC1=CC(=O)Oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc12,CC1=CC(=O)Oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc12,"InChI=1/C10H8O10S2/c1-5-2-10(11)18-7-4-9(20-22(15,16)17)8(3-6(5)7)19-21(12,13)14/h2-4H,1H3,(H,12,13,14)(H,15,16,17)",C10H8O10S2,,,,,,SZNQDPUZKFSCNG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.510,246-777-1,25268-73-9,"2-ethyl-2-[[(1-oxododecyl)oxy]methyl]propane-1,3-diyl dilaurate","2,2-bis[(dodecanoyloxy)methyl]butyl laurate (non-preferred name)",CCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,"InChI=1/C42H80O6/c1-5-9-12-15-18-21-24-27-30-33-39(43)46-36-42(8-4,37-47-40(44)34-31-28-25-22-19-16-13-10-6-2)38-48-41(45)35-32-29-26-23-20-17-14-11-7-3/h5-38H2,1-4H3",C42H80O6,,,,,,GSAHAZJWNMHSNI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.513,246-780-8,25269-20-9,"3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methyl-1-oxopent-3-enyl)-2-(2-methyl-1-oxopropyl)cyclopent-2-en-1-one","3,4-dihydroxy-2-isobutyryl-5-(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one",CC(C)C(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C,CC(C)C(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C,"InChI=1/C20H28O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7-8,13-14,24-25H,9-10H2,1-6H3",C20H28O5,,,,,,KKXFYHZSOIALRM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.522,246-790-2,25287-60-9,Etofamide,"2,2-dichloro-N-(2-ethoxyethyl)-N-[4-(4-nitrophenoxy)benzyl]acetamide",CCOCCN(Cc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1)C(=O)C(Cl)Cl,CCOCCN(Cc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1)C(=O)C(Cl)Cl,"InChI=1/C19H20Cl2N2O5/c1-2-27-12-11-22(19(24)18(20)21)13-14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)23(25)26/h3-10,18H,2,11-13H2,1H3",C19H20Cl2N2O5,,,,,,QTRALMGDQMIVFF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.525,246-793-9,25293-52-1,Sodium 2-aminonaphthalene-1-sulphonate,sodium 2-aminonaphthalene-1-sulfonate,[Na+].Nc1ccc2ccccc2c1S(=O)(=O)[O-],[Na+].Nc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,AZKQWFQWHHSLDU-UHFFFAOYSA-M,,,,,,,,,,,
100.042.540,246-809-4,25308-83-2,"3-methyl-1-(1,1,1-trichloro)but-3-enyl acetate",3-methyl-1-(trichloromethyl)but-3-en-1-yl acetate,CC(=C)CC(OC(=O)C)C(Cl)(Cl)Cl,CC(=C)CC(OC(=O)C)C(Cl)(Cl)Cl,"InChI=1/C8H11Cl3O2/c1-5(2)4-7(8(9,10)11)13-6(3)12/h7H,1,4H2,2-3H3",C8H11Cl3O2,,,,,,ZFIHZJPVRVOBFF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.541,246-811-5,25309-65-3,4-ethylbenzonitrile,4-ethylbenzonitrile,CCc1ccc(cc1)C#N,CCc1ccc(cc1)C#N,"InChI=1/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3",C9H9N,,,,,,SXFFMFAQNAFSLF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.544,246-814-1,25311-71-1,Isofenphos,isopropyl 2-{[ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate,CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,"InChI=1/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)",C15H24NO4PS,,,,,,HOQADATXFBOEGG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.134,249-662-4,29476-87-7,"4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid","4-hydroxy-3-[(2-methoxy-5-methyl-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonic acid",COc3cc(c(C)cc3N=Nc2c(cc1cc(ccc1c2O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,COc3cc(c(C)cc3N=Nc2c(cc1cc(ccc1c2O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,"InChI=1/C20H20N2O14S4/c1-11-7-15(16(35-2)10-17(11)37(24,25)6-5-36-40(32,33)34)21-22-19-18(39(29,30)31)9-12-8-13(38(26,27)28)3-4-14(12)20(19)23/h3-4,7-10,23H,5-6H2,1-2H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)",C20H20N2O14S4,,,,,,YQBOWOWUYDBPPK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.140,249-669-2,29504-89-0,3-(octylamino)propiononitrile,3-(octylamino)propanenitrile,CCCCCCCCNCCC#N,CCCCCCCCNCCC#N,"InChI=1/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3",C11H22N2,,,,,,AFXXFNVAHYRPIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.143,249-672-9,29509-04-4,"2,4,4-trimethyl-3-oxovaleronitrile","2,4,4-trimethyl-3-oxopentanenitrile",CC(C#N)C(=O)C(C)(C)C,CC(C#N)C(=O)C(C)(C)C,"InChI=1/C8H13NO/c1-6(5-9)7(10)8(2,3)4/h6H,1-4H3",C8H13NO,,,,,,YZYCNKBQLMRDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.148,249-678-1,29518-02-3,Cycloundecanemethanol,cycloundecylmethanol,OCC1CCCCCCCCCC1,OCC1CCCCCCCCCC1,"InChI=1/C12H24O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h12-13H,1-11H2",C12H24O,,,,,,XSFJMMWTLXMXTK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.159,249-690-7,29549-60-8,2-(ethylthio)phenol,2-(ethylsulfanyl)phenol,CCSc1ccccc1O,CCSc1ccccc1O,"InChI=1/C8H10OS/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3",C8H10OS,,,,,,CSJBSYKCAKKLKG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.036,248-455-6,27428-84-8,3-(trichloromethyl)benzoyl chloride,3-(trichloromethyl)benzoyl chloride,ClC(=O)c1cccc(c1)C(Cl)(Cl)Cl,ClC(=O)c1cccc(c1)C(Cl)(Cl)Cl,"InChI=1/C8H4Cl4O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H",C8H4Cl4O,,,,,,FWQULJSKSVBGFN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.567,250-139-8,30345-49-4,Tetrabutylphosphonium acetate,tetrabutylphosphonium acetate,CCCC[P+](CCCC)(CCCC)CCCC.CC(=O)[O-],CCCC[P+](CCCC)(CCCC)CCCC.CC(=O)[O-],"InChI=1/C16H36P.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C16H36P.C2H3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17955,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.567,GFZMLBWMGBLIDI-UHFFFAOYSA-M,,,,,,,,,,,
100.045.572,250-145-0,30356-08-2,"(R)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline","1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline",COc1ccc(C[C@H]2NCCC3=C2CCCC3)cc1,COc1ccc(C[C@H]2NCCC3=C2CCCC3)cc1,"InChI=1/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3",C17H23NO,,,,,,NPEVCJZMQGZNET-QGZVFWFLSA-N,,,,,,,,,,,
100.045.574,250-147-1,30361-28-5,"(2E,4E)-octa-2,4-dienal","octa-2,4-dienal",CCC\\C=C\\C=C\\C=O,CCC\C=C\C=C\C=O,"InChI=1/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3",C8H12O,,,,,,DVVATNQISMINCX-YTXTXJHMSA-N,,,,,,,,,,,
100.045.577,250-150-8,30364-38-6,"1,2-dihydro-1,1,6-trimethylnaphthalene","1,1,6-trimethyl-1,2-dihydronaphthalene",Cc1ccc2c(C=CCC2(C)C)c1,Cc1ccc2c(C=CCC2(C)C)c1,"InChI=1/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",C13H16,,,,,,RTUMCNDCAVLXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.580,250-153-4,30369-80-3,"N-allyl-4,6-dichloro-1,3,5-triazin-2-amine","N-allyl-4,6-dichloro-1,3,5-triazin-2-amine",Clc1nc(Cl)nc(NCC=C)n1,Clc1nc(Cl)nc(NCC=C)n1,"InChI=1/C6H6Cl2N4/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2H,1,3H2,(H,9,10,11,12)",C6H6Cl2N4,,,,,,MXCZYRJBEZWBSA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.583,250-157-6,30374-01-7,Isooctyl 3-mercaptopropionate,6-methylheptyl 3-sulfanylpropanoate,CC(C)CCCCCOC(=O)CCS,CC(C)CCCCCOC(=O)CCS,"InChI=1/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3",C11H22O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10158,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.583,ZHUWXKIPGGZNJW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.588,250-162-3,30377-68-5,6-chloro-1-ethyl-2-methyl-3-(3-sulphonatopropyl)-5-(trifluoromethyl)-1H-benzimidazolium,"3-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-3,1-benzimidazol-3-ium-1-yl]propane-1-sulfonate",CC[NH+]1C(C)N(CCCS(=O)(=O)[O-])c2cc(c(Cl)cc12)C(F)(F)F,CC[NH+]1C(C)N(CCCS(=O)(=O)[O-])c2cc(c(Cl)cc12)C(F)(F)F,"InChI=1/C14H18ClF3N2O3S/c1-3-19-9(2)20(5-4-6-24(21,22)23)12-7-10(14(16,17)18)11(15)8-13(12)19/h7-9H,3-6H2,1-2H3,(H,21,22,23)",C14H16ClF3N2O3S,,,,,,WGUVTXFHJDXOLV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.590,250-164-4,30381-48-7,Sodium 2-(diethylamino)ethanolate,sodium 2-(diethylamino)ethanolate,[Na+].CCN(CC)CC[O-],[Na+].CCN(CC)CC[O-],"InChI=1/C6H14NO.Na/c1-3-7(4-2)5-6-8;/h3-6H2,1-2H3;/q-1;+1",C6H15NO.Na,,,,,,ZEOATFDLJNUNAT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.592,250-167-0,30385-25-2,"2,6-dimethyloct-6-en-2-ol","2,6-dimethyloct-6-en-2-ol",CC(C)(O)CCCC(C)=CC,CC(C)(O)CCCC(C)=CC,"InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,6-8H2,1-4H3",C10H20O,,,,,,CWMHVHGNKIXPOD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.603,250-179-6,30405-01-7,2-methylpropyl ethylmethylphosphinate,isobutyl ethyl(methyl)phosphinate,CCP(=O)(C)OCC(C)C,CCP(=O)(C)OCC(C)C,"InChI=1/C7H17O2P/c1-5-10(4,8)9-6-7(2)3/h7H,5-6H2,1-4H3",C7H17O2P,,,,,,LAUOWESHBLLZHR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.611,250-188-5,30416-77-4,Ammonium 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl sulphate,ammonium 2-(2-{2-[2-(4-nonylphenoxy)ethoxy]ethoxy}ethoxy)ethyl sulfate,[NH4+].CCCCCCCCCc1ccc(OCCOCCOCCOCCOS(=O)(=O)[O-])cc1,[NH4+].CCCCCCCCCc1ccc(OCCOCCOCCOCCOS(=O)(=O)[O-])cc1,"InChI=1/C23H40O8S.H3N/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)30-20-18-28-16-14-27-15-17-29-19-21-31-32(24,25)26;/h10-13H,2-9,14-21H2,1H3,(H,24,25,26);1H3",C23H40O8S.H3N,,,,,,XMRUJYGYYCLRGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.698,246-984-7,25444-35-3,p-(pentadecafluoroheptyl)benzenesulphonyl chloride,4-(pentadecafluoroheptyl)benzenesulfonyl chloride,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(cc1)S(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C13H4ClF15O2S/c14-32(30,31)6-3-1-5(2-4-6)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)29/h1-4H",C13H4ClF15O2S,,,,,,PPKJGFABEANLHW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.711,246-998-3,25448-25-3,Triisodecyl phosphite,tris(8-methylnonyl) phosphite,CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C,CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C,"InChI=1/C30H63O3P/c1-28(2)22-16-10-7-13-19-25-31-34(32-26-20-14-8-11-17-23-29(3)4)33-27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3",C30H63O3P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14208,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.711,QEDNBHNWMHJNAB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.717,247-005-6,25456-75-1,1-tert-butyl L-glutamate,tert-butyl 5-oxido-5-oxo-L-norvalinate,CC(C)(C)OC(=O)[C@@H](N)CCC(=O)[O-],CC(C)(C)OC(=O)[C@@H](N)CCC(=O)[O-],"InChI=1/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/p-1",C9H17NO4,,,,,,QVAQMUAKTNUNLN-LURJTMIESA-M,,,,,,,,,,,
100.045.715,250-302-3,30701-38-3,Sucrose dimyristate,3-O-tetradecanoyl-beta-D-fructofuranosyl 2-O-tetradecanoyl-alpha-D-glucopyranoside,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCC,"InChI=1/C40H74O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(44)50-37-36(48)34(46)30(27-41)49-39(37)53-40(29-43)38(35(47)31(28-42)52-40)51-33(45)26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,34-39,41-43,46-48H,3-29H2,1-2H3",C40H74O13,,,,,,CVWXSFIOYIUNPQ-UZYVTAGHSA-N,,,,,,,,,,,
100.045.719,250-307-0,30714-45-5,Ammonium p-hydroxydithiocarbanilate,ammonium (4-hydroxyphenyl)dithiocarbamate,[NH4+].Oc1ccc(NC(=S)[S-])cc1,[NH4+].Oc1ccc(NC(=S)[S-])cc1,"InChI=1/C7H7NOS2.H3N/c9-6-3-1-5(2-4-6)8-7(10)11;/h1-4,9H,(H2,8,10,11);1H3",C7H7NOS2.H3N,,,,,,DTHRCFYLLASFIA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.676,245-859-4,23747-14-0,"1,2,3,4,5,6-hexahydro-1,1,5,5-tetramethyl-7H-2,4a-methanonaphthalen-7-one","1,1,5,5-tetramethyl-1,2,3,4,5,6-hexahydro-7H-2,4a-methanonaphthalen-7-one",CC1(C)CC(=O)C=C2C(C)(C)C3CCC12C3,CC1(C)CC(=O)C=C2C(C)(C)C3CCC12C3,"InChI=1/C15H22O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10H,5-6,8-9H2,1-4H3",C15H22O,,,,,,LGSKOQUJWNADCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.684,245-868-3,23761-52-6,N-cyclohexylnaphthalen-2-amine,N-cyclohexylnaphthalen-2-amine,C1CCC(CC1)Nc2ccc3ccccc3c2,C1CCC(CC1)Nc2ccc3ccccc3c2,"InChI=1/C16H19N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h4-7,10-12,15,17H,1-3,8-9H2",C16H19N,,,,,,AOVPPUTVJOCLEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.695,245-880-9,23779-97-7,4-chloro-8-(trifluoromethyl)quinoline,4-chloro-8-(trifluoromethyl)quinoline,FC(F)(F)c1cccc2c(Cl)ccnc12,FC(F)(F)c1cccc2c(Cl)ccnc12,"InChI=1/C10H5ClF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H",C10H5ClF3N,,,,,,LINGICLAECZKAW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.696,245-881-4,23779-99-9,Floctafenine,"2,3-dihydroxypropyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate",OCC(O)COC(=O)c1ccccc1Nc2ccnc3c(cccc23)C(F)(F)F,OCC(O)COC(=O)c1ccccc1Nc2ccnc3c(cccc23)C(F)(F)F,"InChI=1/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)",C20H17F3N2O4,,,,,,APQPGQGAWABJLN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.698,245-884-0,23784-19-2,"D-Fructose, 1,6-bis(dihydrogen phosphate), tetrasodium salt","tetrasodium 1,6-di-O-phosphonatohex-2-ulofuranose",OC1C(O)C(O)(COP(=O)(O[Na])O[Na])OC1COP(=O)(O[Na])O[Na],OC1C(O)C(O)(COP(=O)(O[Na])O[Na])OC1COP(=O)(O[Na])O[Na],"InChI=1/C6H14O12P2.4Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;;;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4/rC6H10Na4O12P2/c7-19-23(14,20-8)16-1-3-4(11)5(12)6(13,18-3)2-17-24(15,21-9)22-10/h3-5,11-13H,1-2H2",C6H14O12P2.4Na,,,,,,VSXKSSGRLOGHFH-UHFFFAOYSA-J,,,,,,,,,,,
100.041.700,245-886-1,23786-14-3,Methyl 4-methoxyphenylacetate,methyl (4-methoxyphenyl)acetate,COC(=O)Cc1ccc(OC)cc1,COC(=O)Cc1ccc(OC)cc1,"InChI=1/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3",C10H12O3,,,,,,ZQYLDVNTWDEAJI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.701,245-887-7,23786-20-1,"4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]piperazine-1-ethanol","2-[4-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)piperazin-1-yl]ethanol",OCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)N3CCC(=N3)c4ccc(Cl)cc4,OCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)N3CCC(=N3)c4ccc(Cl)cc4,"InChI=1/C21H25ClN4O3S/c22-18-3-1-17(2-4-18)21-9-10-26(23-21)19-5-7-20(8-6-19)30(28,29)25-13-11-24(12-14-25)15-16-27/h1-8,27H,9-16H2",C21H25ClN4O3S,,,,,,WXKJQQTYGXGVQD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.702,245-888-2,23786-93-8,"1,1-diethoxycyclopentane","1,1-diethoxycyclopentane",CCOC1(CCCC1)OCC,CCOC1(CCCC1)OCC,"InChI=1/C9H18O2/c1-3-10-9(11-4-2)7-5-6-8-9/h3-8H2,1-2H3",C9H18O2,,,,,,QJKUIUCQENFWSS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.711,245-898-7,23826-72-4,2-(2-pyridylamino)ethyldimethylamine,"N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine",CN(C)CCNc1ccccn1,CN(C)CCNc1ccccn1,"InChI=1/C9H15N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-6H,7-8H2,1-2H3,(H,10,11)",C9H15N3,,,,,,PBPMFHCGVZTYHV-UHFFFAOYSA-N,Positive,ET171103,[M+H]+,HCD160-0.41mz or 15 (mz>350) nominal units,121.076:96.0444:72.0808,Eawag_Additional_Specs,,,,,
100.041.713,245-900-6,23832-18-0,"2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiol","2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiol",CC1(S)CCC2CC1C2(C)C,CC1(S)CCC2CC1C2(C)C,"InChI=1/C10H18S/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3",C10H18S,,,,,,ZPUCQOXKFCVYGL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.714,245-901-1,23838-12-2,Cholest-5-en-3ß-yl p-nitrobenzoate,cholest-5-en-3-yl 4-nitrobenzoate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(cc5)[N+](=O)[O-],CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(cc5)[N+](=O)[O-],"InChI=1/C34H49NO4/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(17-19-33(25,4)31(28)18-20-34(29,30)5)39-32(36)24-9-12-26(13-10-24)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3",C34H49NO4,,,,,,MCSXGHLTXBACQB-AESKLMAPSA-N,,,,,,,,,,,
100.041.353,245-504-3,23228-74-2,Thiobiuret,dicarbonimidothioic diamide,NC(=O)NC(=S)N,NC(=O)NC(=S)N,"InChI=1/C2H5N3OS/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)",C2H5N3OS,,,,,,YCLDXRHGQVDVJR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.359,245-511-1,23236-41-1,"cis-4,5-dihydro-2,4,5-trimethyloxazole","2,4,5-trimethyl-4,5-dihydro-1,3-oxazole",C[C@H]1OC(=N[C@H]1C)C,C[C@H]1OC(=N[C@H]1C)C,"InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h4-5H,1-3H3",C6H11NO,,,,,,AOCHNXXMYIQWEH-CRCLSJGQSA-N,,,,,,,,,,,
100.045.607,250-183-8,30411-84-8,N-carbamoyl-DL-methionine,N-carbamoyl-L-methionine,CSCC[C@H](NC(=O)N)C(=O)O,CSCC[C@H](NC(=O)N)C(=O)O,"InChI=1/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)",C6H12N2O3S,,,,,,DEWDMTSMCKXBNP-BYPYZUCNSA-N,,,,,,,,,,,
100.045.608,250-184-3,30414-53-0,Methyl 3-oxovalerate,methyl 3-oxopentanoate,CCC(=O)CC(=O)OC,CCC(=O)CC(=O)OC,"InChI=1/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3",C6H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5844,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.608,XJMIXEAZMCTAGH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.609,250-185-9,30414-54-1,Methyl 3-oxohexanoate,methyl 3-oxohexanoate,CCCC(=O)CC(=O)OC,CCCC(=O)CC(=O)OC,"InChI=1/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3",C7H12O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10586,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.609,SJPCQNABHNCLPB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.610,250-186-4,30415-45-3,"4,11-diamino-2-(2-butoxyethyl)-2,3-dihydro-3-imino-1H-naphth[2,3-f]isoindole-1,5,10-trione","4,11-diamino-2-(2-butoxyethyl)-3-imino-2,3-dihydro-1H-naphtho[2,3-f]isoindole-1,5,10-trione",CCCCOCCN1C(=N)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,CCCCOCCN1C(=N)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C22H22N4O4/c1-2-3-9-30-10-8-26-21(25)15-16(22(26)29)18(24)14-13(17(15)23)19(27)11-6-4-5-7-12(11)20(14)28/h4-7,25H,2-3,8-10,23-24H2,1H3",C22H22N4O4,,,,,,UECNRPKDQBDEFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.699,246-985-2,25446-78-0,Sodium 2-[2-[2-(tridecyloxy)ethoxy]ethoxy]ethyl sulphate,sodium 2-{2-[2-(tridecyloxy)ethoxy]ethoxy}ethyl sulfate,[Na+].CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C19H40O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-14-15-24-16-17-25-18-19-26-27(20,21)22;/h2-19H2,1H3,(H,20,21,22);/q;+1/p-1",C19H40O7S.Na,,,,,,KLYDBHUQNXKACI-UHFFFAOYSA-M,,,,,,,,,,,
100.042.700,246-986-8,25446-80-4,Sodium 2-[2-[2-(tetradecyloxy)ethoxy]ethoxy]ethyl sulphate,sodium 2-{2-[2-(tetradecyloxy)ethoxy]ethoxy}ethyl sulfate,[Na+].CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C20H42O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1",C20H42O7S.Na,,,,,,MDSQKJDNWUMBQQ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.701,246-987-3,25446-90-6,"Decyl hydrogen sulphate, calcium salt",-,[Ca+2].CCCCCCCCCCOS(=O)(=O)O,[Ca+2].CCCCCCCCCCOS(=O)(=O)O,"InChI=1/C10H22O4S.Ca/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+2",C10H22O4S.1/2Ca,,,,,,VRNMBLIQPNZUHP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.702,246-988-9,25446-91-7,Magnesium ditetradecyl disulphate,magnesium bis(tetradecyl sulfate),CCCCCCCCCCCCCCOS(=O)(=O)O[Mg]OS(=O)(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOS(=O)(=O)O[Mg]OS(=O)(=O)OCCCCCCCCCCCCCC,"InChI=1/2C14H30O4S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2*2-14H2,1H3,(H,15,16,17);/q;;+2/p-2/rC28H58MgO8S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34-38(30,31)36-29-37-39(32,33)35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C14H30O4S.1/2Mg,,,,,,QQHZBVSVQQUQGK-UHFFFAOYSA-L,,,,,,,,,,,
100.042.709,246-996-2,25448-05-9,Tetrahydro-2-methylquinoline,"2-methyl-1,2,3,4-tetrahydroquinoline",CC1CCc2ccccc2N1,CC1CCc2ccccc2N1,"InChI=1/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8,11H,6-7H2,1H3",C10H13N,,,,,,JZICUKPOZUKZLL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.712,246-999-9,25448-66-2,Tetrahydro-6-(2-pentynyl)-2H-pyran-2-one,6-pent-2-yn-1-yltetrahydro-2H-pyran-2-one,CCC#CCC1CCCC(=O)O1,CCC#CCC1CCCC(=O)O1,"InChI=1/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2,5-8H2,1H3",C10H14O2,,,,,,XTUXFHPUXDXBKV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.722,247-010-3,25464-95-3,"4,4'-methylenebis[2,6-dichloroaniline]","4,4'-methylenebis(2,6-dichloroaniline)",Nc1c(Cl)cc(Cc2cc(Cl)c(N)c(Cl)c2)cc1Cl,Nc1c(Cl)cc(Cc2cc(Cl)c(N)c(Cl)c2)cc1Cl,"InChI=1/C13H10Cl4N2/c14-8-2-6(3-9(15)12(8)18)1-7-4-10(16)13(19)11(17)5-7/h2-5H,1,18-19H2",C13H10Cl4N2,,,,,,YZHBFXOFILAJSC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.724,247-012-4,25466-44-8,"5,5-bis(4-methoxyphenyl)-3-[2-(1-piperidyl)ethyl]imidazolidine-2,4-dione","5,5-bis(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazolidine-2,4-dione",COc1ccc(cc1)C2(NC(=O)N(CCN3CCCCC3)C2=O)c4ccc(OC)cc4,COc1ccc(cc1)C2(NC(=O)N(CCN3CCCCC3)C2=O)c4ccc(OC)cc4,"InChI=1/C24H29N3O4/c1-30-20-10-6-18(7-11-20)24(19-8-12-21(31-2)13-9-19)22(28)27(23(29)25-24)17-16-26-14-4-3-5-15-26/h6-13H,3-5,14-17H2,1-2H3,(H,25,29)",C24H29N3O4,,,,,,HVYGXNYMNHSBGD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.740,247-030-2,25492-71-1,"Disodium 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthracenyl)amino]benzoate","disodium 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthracenyl)amino]benzoate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)C(=O)[O-])cc1S(=O)(=O)O.Nc5c6C(=O)c7ccccc7C(=O)c6c(Nc8cccc(c8)C(=O)[O-])cc5S(=O)(=O)O,[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)C(=O)[O-])cc1S(=O)(=O)O.Nc5c6C(=O)c7ccccc7C(=O)c6c(Nc8cccc(c8)C(=O)[O-])cc5S(=O)(=O)O,"InChI=1/2C21H14N2O7S.2Na/c2*22-18-15(31(28,29)30)9-14(23-11-5-3-4-10(8-11)21(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24;;/h2*1-9,23H,22H2,(H,26,27)(H,28,29,30);;/q;;2*+1/p-2",C21H14N2O7S.2Na,,,,,,CDTAVLSDERWDKM-UHFFFAOYSA-L,,,,,,,,,,,
100.040.410,244-467-0,21595-26-6,Hexachlororuthenate(3-),ruthenium(6+) hexachloride,Cl[Ru-3](Cl)(Cl)(Cl)(Cl)Cl,Cl[Ru-3](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Ru/h6*1H;/q;;;;;;+6/p-6/rCl6Ru/c1-7(2,3,4,5)6",Cl6Ru,,,,,,ZFBIHEFLSPUZGE-UHFFFAOYSA-H,,,,,,,,,,,
100.045.160,249-691-2,29549-78-8,"5-acetyldihydro-2-hydroxy-2,5-dimethylfuran-3(2H)-one","5-acetyl-2-hydroxy-2,5-dimethyldihydrofuran-3(2H)-one",CC(=O)C1(C)CC(=O)C(C)(O)O1,CC(=O)C1(C)CC(=O)C(C)(O)O1,"InChI=1/C8H12O4/c1-5(9)7(2)4-6(10)8(3,11)12-7/h11H,4H2,1-3H3",C8H12O4,,,,,,TUYBNEBXRHKEKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.161,249-692-8,29553-26-2,"3,3,4,4-tetrafluoro-2-methylbutan-2-ol","3,3,4,4-tetrafluoro-2-methylbutan-2-ol",CC(C)(O)C(F)(F)C(F)F,CC(C)(O)C(F)(F)C(F)F,"InChI=1/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3",C5H8F4O,,,,,,NCMPMCXQKBZXGI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.166,249-698-0,29570-58-9,"2-[[3-[(1-oxoallyl)oxy]-2,2-bis[[(1-oxoallyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate","3-(acryloyloxy)-2-({3-(acryloyloxy)-2,2-bis[(acryloyloxy)methyl]propoxy}methyl)-2-[(acryloyloxy)methyl]propyl acrylate (non-preferred name)",C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C28H34O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-12H,1-6,13-20H2",C28H34O13,,,,,,MPIAGWXWVAHQBB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.224,246-462-9,24794-57-8,"Docosanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","docosanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C22H44O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;8-4-1-7(2-5-9)3-6-10/h2-21H2,1H3,(H,23,24);8-10H,1-6H2",C22H44O2.C6H15NO3,,,,,,GCACVWDCQDRJLA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.226,246-465-5,24796-94-9,"3,7-bis(diethylamino)phenoxazin-5-ium perchlorate","3,7-bis(diethylamino)phenoxazin-5-ium perchlorate",CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[O-]Cl(=O)(=O)=O,CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[O-]Cl(=O)(=O)=O,"InChI=1/C20H26N3O.ClHO4/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3,4)5/h9-14H,5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C20H26N3O.ClO4,,,,,,PKZWDLHLOBYXKV-UHFFFAOYSA-M,,,,,,,,,,,
100.042.228,246-467-6,24801-88-5,Triethoxy(3-isocyanatopropyl)silane,triethoxy(3-isocyanatopropyl)silane,CCO[Si](CCCN=C=O)(OCC)OCC,CCO[Si](CCCN=C=O)(OCC)OCC,"InChI=1/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3",C10H21NO4Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16621,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.228,FRGPKMWIYVTFIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.229,246-468-1,24807-55-4,"3-nitro-1,2,4-triazole","3-nitro-4H-1,2,4-triazole",[O-][N+](=O)c1nnc[nH]1,[O-][N+](=O)c1nnc[nH]1,"InChI=1/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)",C2H2N4O2,,,,,,KUEFXPHXHHANKS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.235,246-474-4,24817-28-5,"6a-tert-butyl-3,4,4aß,5,6,7,8,8aa-octahydronaphthalen-2(1H)-one",6-tert-butyloctahydronaphthalen-2(1H)-one,CC(C)(C)C1CCC2CC(=O)CCC2C1,CC(C)(C)C1CCC2CC(=O)CCC2C1,"InChI=1/C14H24O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h10-12H,4-9H2,1-3H3",C14H24O,,,,,,QQKVQRVPUCGGKW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.246,246-487-5,24828-59-9,Methyl (S)-cyclopent-2-ene-1-tridecanoate,methyl 13-cyclopent-2-en-1-yltridecanoate,COC(=O)CCCCCCCCCCCC[C@H]1CCC=C1,COC(=O)CCCCCCCCCCCC[C@H]1CCC=C1,"InChI=1/C19H34O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h12,15,18H,2-11,13-14,16-17H2,1H3",C19H34O2,,,,,,PEZOXKYCEXAUDW-GOSISDBHSA-N,,,,,,,,,,,
100.042.248,246-489-6,24831-41-2,"6,6'-dithiobis[N,N,N'-triethyl-1,3,5-triazine-2,4-diamine]","6,6'-disulfanediylbis(N,N,N'-triethyl-1,3,5-triazine-2,4-diamine)",CCNc1nc(SSc2nc(NCC)nc(n2)N(CC)CC)nc(n1)N(CC)CC,CCNc1nc(SSc2nc(NCC)nc(n2)N(CC)CC)nc(n1)N(CC)CC,"InChI=1/C18H32N10S2/c1-7-19-13-21-15(27(9-3)10-4)25-17(23-13)29-30-18-24-14(20-8-2)22-16(26-18)28(11-5)12-6/h7-12H2,1-6H3,(H,19,21,23,25)(H,20,22,24,26)",C18H32N10S2,,,,,,YJMUGCWPZVMLMP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.249,246-490-1,24833-47-4,2-benzoyl-N-(2-hydroxyethyl)-N-methylbenzamide,2-benzoyl-N-(2-hydroxyethyl)-N-methylbenzamide,CN(CCO)C(=O)c1ccccc1C(=O)c2ccccc2,CN(CCO)C(=O)c1ccccc1C(=O)c2ccccc2,"InChI=1/C17H17NO3/c1-18(11-12-19)17(21)15-10-6-5-9-14(15)16(20)13-7-3-2-4-8-13/h2-10,19H,11-12H2,1H3",C17H17NO3,,,,,,YQOHPRYMRZWLTA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.877,248-281-0,27165-08-8,4-chloro-2-methylbenzenediazonium,4-chloro-2-methylbenzenediazonium,Cc1cc(Cl)ccc1[N+]#N,Cc1cc(Cl)ccc1[N+]#N,"InChI=1/C7H6ClN2/c1-5-4-6(8)2-3-7(5)10-9/h2-4H,1H3/q+1",C7H6ClN2,,,,,,AJGKQVJZDWHQHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.878,248-282-6,27165-17-9,2-methoxy-5-nitrobenzenediazonium,2-methoxy-5-nitrobenzenediazonium,COc1ccc(cc1[N+]#N)[N+](=O)[O-],COc1ccc(cc1[N+]#N)[N+](=O)[O-],"InChI=1/C7H6N3O3/c1-13-7-3-2-5(10(11)12)4-6(7)9-8/h2-4H,1H3/q+1",C7H6N3O3,,,,,,BUADGGPZZZMHBR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.880,248-284-7,27165-25-9,4-methoxy-2-nitrobenzenediazonium,4-methoxy-2-nitrobenzenediazonium,COc1ccc([N+]#N)c(c1)[N+](=O)[O-],COc1ccc([N+]#N)c(c1)[N+](=O)[O-],"InChI=1/C7H6N3O3/c1-13-5-2-3-6(9-8)7(4-5)10(11)12/h2-4H,1H3/q+1",C7H6N3O3,,,,,,JKIJZOTYFAEPKB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.883,248-287-3,27175-64-0,Dimethylpyridine,"2,3-dimethylpyridine",Cc1cccnc1C,Cc1cccnc1C,"InChI=1/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3",C7H9N,,,,,,HPYNZHMRTTWQTB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.723,247-011-9,25465-65-0,(-)-pinan-3-ol,"2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.728,247-017-1,25474-85-5,4-methoxybenzyl azidoformate,4-methoxybenzyl azidocarbonate,COc1ccc(COC(=O)N=[N+]=[N-])cc1,COc1ccc(COC(=O)N=[N+]=[N-])cc1,"InChI=1/C9H9N3O3/c1-14-8-4-2-7(3-5-8)6-15-9(13)11-12-10/h2-5H,6H2,1H3",C9H9N3O3,,,,,,NQBRFIXRZDTIRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.731,247-020-8,25482-47-7,Didodecylphenol,"2,3-didodecylphenol",CCCCCCCCCCCCc1cccc(O)c1CCCCCCCCCCCC,CCCCCCCCCCCCc1cccc(O)c1CCCCCCCCCCCC,"InChI=1/C30H54O/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(31)29(28)26-22-20-18-16-14-12-10-8-6-4-2/h23,25,27,31H,3-22,24,26H2,1-2H3",C30H54O,,,,,,ILJOIOLSOMYKNF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.735,247-025-5,25489-31-0,"2,5-dichloro-4-[4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","2,5-dichloro-4-[4-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",Clc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(cc4)S(O)(=O)=O,Clc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(cc4)S(O)(=O)=O,"InChI=1/C19H12Cl4N8O7S2/c1-7-15(16(32)31(30-7)12-5-10(21)14(6-9(12)20)40(36,37)38)29-28-11-4-8(2-3-13(11)39(33,34)35)24-19-26-17(22)25-18(23)27-19/h2-6,15H,1H3,(H,33,34,35)(H,36,37,38)(H,24,25,26,27)",C19H12Cl4N8O7S2,,,,,,QPCPIIGOLKCZPP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.737,247-027-6,25491-00-3,"[1S-(1a,3aß,4a,8aß,9R*)]-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carboxaldehyde","4,8,8-trimethyldecahydro-1,4-methanoazulene-9-carbaldehyde",CC1(C)CCCC2(C)C3CCC(C2C=O)C13,CC1(C)CCCC2(C)C3CCC(C2C=O)C13,"InChI=1/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h9-13H,4-8H2,1-3H3",C15H24O,,,,,,PBMHTGOFWRRJFS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.738,247-028-1,25492-67-5,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-o-toluidinoanthracene-2-sulphonate","sodium 1-amino-4-[(2-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[Na+].Cc1ccccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C21H16N2O5S.Na/c1-11-6-2-5-9-14(11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)12-7-3-4-8-13(12)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1",C21H16N2O5S.Na,,,,,,JUUHQEFCLDKFAL-UHFFFAOYSA-M,,,,,,,,,,,
100.042.741,247-031-8,25492-74-4,"Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-(m-sulphonatoanilino)anthracene-2-sulphonate","disodium 1-amino-9,10-dioxo-4-[(3-sulfonatophenyl)amino]-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C20H14N2O8S2.2Na/c21-18-15(32(28,29)30)9-14(22-10-4-3-5-11(8-10)31(25,26)27)16-17(18)20(24)13-7-2-1-6-12(13)19(16)23;;/h1-9,22H,21H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C20H14N2O8S2.2Na,,,,,,MZXGRPQTHVGYNK-UHFFFAOYSA-L,,,,,,,,,,,
100.040.417,244-474-9,21615-29-2,N-[3-[bis(2-hydroxyethyl)amino]-4-ethoxyphenyl]acetamide,N-{3-[bis(2-hydroxyethyl)amino]-4-ethoxyphenyl}acetamide,CCOc1ccc(NC(=O)C)cc1N(CCO)CCO,CCOc1ccc(NC(=O)C)cc1N(CCO)CCO,"InChI=1/C14H22N2O4/c1-3-20-14-5-4-12(15-11(2)19)10-13(14)16(6-8-17)7-9-18/h4-5,10,17-18H,3,6-9H2,1-2H3,(H,15,19)",C14H22N2O4,,,,,,NYYMEJVPXASCKD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.423,244-481-7,21617-15-2,"7-chloro-2,3-dihydro-4-quinolone","7-chloro-2,3-dihydroquinolin-4(1H)-one",Clc1ccc2C(=O)CCNc2c1,Clc1ccc2C(=O)CCNc2c1,"InChI=1/C9H8ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-2,5,11H,3-4H2",C9H8ClNO,,,,,,HOLTZTRNTRXTNX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.424,244-482-2,21622-08-2,Cyclopent-1-ene-1-acetic acid,cyclopent-1-en-1-ylacetic acid,OC(=O)CC1=CCCC1,OC(=O)CC1=CCCC1,"InChI=1/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h3H,1-2,4-5H2,(H,8,9)",C7H10O2,,,,,,QOGMZIQMZUXOKM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.433,244-492-7,21645-51-2,Aluminium hydroxide,aluminum trihydroxide,[OH-].[OH-].[OH-].[Al+3],[OH-].[OH-].[OH-].[Al+3],InChI=1/Al.3H2O/h;3*1H2/q+3;;;/p-3,AlH3O3,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15529,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.433,WNROFYMDJYEPJX-UHFFFAOYSA-K,,,,,,,,,,,
100.040.442,244-503-5,21652-58-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C10H3F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2",C10H3F17,,,,,,NKAMGQZDVMQEJL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.445,244-506-1,21654-66-0,"N,N'-(dimethylsilylene)bis[N-methylacetamide]","N,N'-(dimethylsilanediyl)bis(N-methylacetamide)",CN(C(=O)C)[Si](C)(C)N(C)C(=O)C,CN(C(=O)C)[Si](C)(C)N(C)C(=O)C,"InChI=1/C8H18N2O2Si/c1-7(11)9(3)13(5,6)10(4)8(2)12/h1-6H3",C8H18N2O2Si,,,,,,XJSOFJATDVCLHI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.452,244-514-5,21662-09-9,(Z)-4-decenal,dec-4-enal,CCCCC\\C=C/CCC=O,CCCCC\C=C/CCC=O,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3",C10H18O,,,,,,CWRKZMLUDFBPAO-SREVYHEPSA-N,,,,,,,,,,,
100.041.362,245-514-8,23239-51-2,"(R*,S*)-4-hydroxy-a-[1-[[2-(4-hydroxyphenyl)ethyl]amino]ethyl]benzyl alcohol hydrochloride",4-(1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl)phenol hydrochloride,Cl.CC(NCCc1ccc(O)cc1)C(O)c2ccc(O)cc2,Cl.CC(NCCc1ccc(O)cc1)C(O)c2ccc(O)cc2,"InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H",C17H21NO3.ClH,,,,,,IDLSITKDRVDKRV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.364,245-516-9,23243-68-7,"2,2'-[ethylenebis(oxy)]bisacetic acid","2,2'-[ethane-1,2-diylbis(oxy)]diacetic acid",OC(=O)COCCOCC(=O)O,OC(=O)COCCOCC(=O)O,"InChI=1/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)",C6H10O6,,,,,,CQWXKASOCUAEOW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.367,245-520-0,23248-23-9,Lithium 2-hydroxyethoxide,lithium 2-hydroxyethanolate,[Li]OCCO,[Li]OCCO,"InChI=1/C2H5O2.Li/c3-1-2-4;/h3H,1-2H2;/q-1;+1/rC2H5LiO2/c3-5-2-1-4/h4H,1-2H2",C2H6O2.Li,,,,,,MWGIVMAOEMYJOR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.372,245-525-8,23252-62-2,Ethylenebis(trimethylammonium) dichloride,"N,N,N,N',N',N'-hexamethylethane-1,2-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(C)CC[N+](C)(C)C,[Cl-].[Cl-].C[N+](C)(C)CC[N+](C)(C)C,"InChI=1/C8H22N2.2ClH/c1-9(2,3)7-8-10(4,5)6;;/h7-8H2,1-6H3;2*1H/q+2;;/p-2",C8H22N2.2Cl,,,,,,CVJXNAGSDFWQFN-UHFFFAOYSA-L,,,,,,,,,,,
100.041.373,245-526-3,23255-41-6,S-[2-(acetylamino)ethyl] 3-oxobutanethioate,S-(2-acetamidoethyl) 3-oxobutanethioate,CC(=O)CC(=O)SCCNC(=O)C,CC(=O)CC(=O)SCCNC(=O)C,"InChI=1/C8H13NO3S/c1-6(10)5-8(12)13-4-3-9-7(2)11/h3-5H2,1-2H3,(H,9,11)",C8H13NO3S,,,,,,JFTGQZKJAXFLDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.006,247-323-5,25899-50-7,(Z)-pent-2-enenitrile,pent-2-enenitrile,CC\\C=C/C#N,CC\C=C/C#N,"InChI=1/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3",C5H7N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11707,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.006,ISBHMJZRKAFTGE-ARJAWSKDSA-N,,,,,,,,,,,
100.043.010,247-327-7,25905-14-0,2-isopropenyl-5-methylhex-4-enyl acetate,2-isopropenyl-5-methylhex-4-en-1-yl acetate,CC(=CCC(COC(=O)C)C(=C)C)C,CC(=CCC(COC(=O)C)C(=C)C)C,"InChI=1/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3",C12H20O2,,,,,,HYNGAVZPWWXQIU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.011,247-328-2,25905-16-2,"3,6,7-trimethyloct-6-en-1-ol","3,6,7-trimethyloct-6-en-1-ol",CC(CCO)CCC(=C(C)C)C,CC(CCO)CCC(=C(C)C)C,"InChI=1/C11H22O/c1-9(2)11(4)6-5-10(3)7-8-12/h10,12H,5-8H2,1-4H3",C11H22O,,,,,,GRAHDMHJZMMOHO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.014,247-331-9,25907-77-1,"N,N'-(4,8-dibromo-9,10-dihydro-9,10-dioxo-1,5-anthracene-diyl)bisacetamide","N,N'-(4,8-dibromo-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diacetamide",CC(=O)Nc1ccc(Br)c2C(=O)c3c(NC(=O)C)ccc(Br)c3C(=O)c12,CC(=O)Nc1ccc(Br)c2C(=O)c3c(NC(=O)C)ccc(Br)c3C(=O)c12,"InChI=1/C18H12Br2N2O4/c1-7(23)21-11-5-3-9(19)13-15(11)17(25)14-10(20)4-6-12(22-8(2)24)16(14)18(13)26/h3-6H,1-2H3,(H,21,23)(H,22,24)",C18H12Br2N2O4,,,,,,DORCRAXPUWOWPM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.015,247-332-4,25909-39-1,Platinum trichloride,-,[Cl-].[Cl-].[Cl-].[Pt+2],[Cl-].[Cl-].[Cl-].[Pt+2],InChI=1/3ClH.Pt/h3*1H;/q;;;+2/p-3,Cl3Pt,,,,,,UGPIIBDOUTZDQE-UHFFFAOYSA-K,,,,,,,,,,,
100.043.016,247-334-5,25910-37-6,2-nitrobenzenediazonium,2-nitrobenzenediazonium,[O-][N+](=O)c1ccccc1[N+]#N,[O-][N+](=O)c1ccccc1[N+]#N,InChI=1/C6H4N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4H/q+1,C6H4N3O2,,,,,,AYTSDBGAHOKDHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.219,250-857-1,31888-96-7,"3'-[[1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl]carbamoyl]-2-(m-pentadecylphenoxy)butyranilide","N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]-3-{[2-(3-pentadecylphenoxy)butanoyl]amino}benzamide",CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(C)cc(C)cc4Cl)c1,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(C)cc(C)cc4Cl)c1,"InChI=1/C43H57ClN4O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-33-22-19-25-36(28-33)52-38(6-2)43(51)45-35-24-20-23-34(29-35)42(50)46-39-30-40(49)48(47-39)41-32(4)26-31(3)27-37(41)44/h19-20,22-29,38H,5-18,21,30H2,1-4H3,(H,45,51)(H,46,47,50)",C43H57ClN4O4,,,,,,DMPZBVIJBIVBSE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.222,250-860-8,31900-04-6,"Disodium 4,4'-bis[[6-anilino-4-(methylamino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-{[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate)",[Na+].[Na+].CNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].CNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C34H32N12O6S2.2Na/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46);;/q;2*+1/p-2",C34H32N12O6S2.2Na,,,,,,KQIXHGNMGGYJAC-QDBORUFSSA-L,,,,,,,,,,,
100.046.227,250-866-0,31915-75-0,cis-2-ethylcyclopropanemethanol,(2-ethylcyclopropyl)methanol,CCC1CC1CO,CCC1CC1CO,"InChI=1/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3",C6H12O,,,,,,BGKKZLRPGJYFIP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.230,250-869-7,31945-18-3,"3,7-dimethylocta-3,7-dienenitrile","3,7-dimethylocta-3,7-dienenitrile",C=C(C)CCC=C(C)CC#N,C=C(C)CCC=C(C)CC#N,"InChI=1/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h6H,1,4-5,7H2,2-3H3",C10H15N,,,,,,HXWCEYZTTHUVCC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.413,244-470-7,21601-78-5,Phenyl hydrogen phenylmalonate,3-oxo-3-phenoxy-2-phenylpropanoic acid,OC(=O)C(C(=O)Oc1ccccc1)c2ccccc2,OC(=O)C(C(=O)Oc1ccccc1)c2ccccc2,"InChI=1/C15H12O4/c16-14(17)13(11-7-3-1-4-8-11)15(18)19-12-9-5-2-6-10-12/h1-10,13H,(H,16,17)",C15H12O4,,,,,,IDJNJFYWPMDFNB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.415,244-472-8,21609-90-5,Leptophos,"O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate",COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c2ccccc2,COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c2ccccc2,"InChI=1/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3",C13H10BrCl2O2PS,,,,,,CVRALZAYCYJELZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.419,244-477-5,21615-34-9,2-methoxybenzoyl chloride,2-methoxybenzoyl chloride,COc1ccccc1C(=O)Cl,COc1ccccc1C(=O)Cl,"InChI=1/C8H7ClO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3",C8H7ClO2,,,,,,RZNHSEZOLFEFGB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.426,244-484-3,21626-89-1,Diftalone,"phthalazino[2,3-b]phthalazine-5,12(7H,14H)-dione",O=C1N2Cc3ccccc3C(=O)N2Cc4ccccc14,O=C1N2Cc3ccccc3C(=O)N2Cc4ccccc14,"InChI=1/C16H12N2O2/c19-15-13-7-3-1-5-11(13)9-17-16(20)14-8-4-2-6-12(14)10-18(15)17/h1-8H,9-10H2",C16H12N2O2,,,,,,CXSJGNHRBWJXEA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.427,244-485-9,21631-87-8,"4,5-dihydro-2-pentadecyl-1H-imidazole-1-ethanol","2-(2-pentadecyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCCCCCCCCCC1=NCCN1CCO,CCCCCCCCCCCCCCCC1=NCCN1CCO,"InChI=1/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23/h23H,2-19H2,1H3",C20H40N2O,,,,,,YHBKGPLIVWDELL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.428,244-486-4,21635-69-8,2-[(4-amino-5-methoxy-o-tolyl)sulphonyl]ethyl hydrogen sulphate,2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]ethyl hydrogen sulfate,COc1cc(c(C)cc1N)S(=O)(=O)CCOS(=O)(=O)O,COc1cc(c(C)cc1N)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C10H15NO7S2/c1-7-5-8(11)9(17-2)6-10(7)19(12,13)4-3-18-20(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)",C10H15NO7S2,,,,,,MRILAYPKVVWTRG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.429,244-488-5,21637-25-2,"2-(3,4-dihydroxyphenyl)-3-(ß-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside",OC[C@@H](O)[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O,OC[C@@H](O)[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O,"InChI=1/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2",C21H20O12,,,,,,OPJZLUXFQFQYAI-GNPVFZCLSA-N,,,,,,,,,,,
100.040.447,244-508-2,21656-02-0,Rhodium trihydroxide,-,[OH-].[OH-].[OH-].[Rh+2],[OH-].[OH-].[OH-].[Rh+2],InChI=1/3H2O.Rh/h3*1H2;/q;;;+2/p-3,H3O3Rh,,,,,,KJCFYKJIXDKYHF-UHFFFAOYSA-K,,,,,,,,,,,
100.040.450,244-511-9,21658-95-7,Diisopropyl (cyanomethyl)phosphonate,diisopropyl (cyanomethyl)phosphonate,CC(C)OP(=O)(CC#N)OC(C)C,CC(C)OP(=O)(CC#N)OC(C)C,"InChI=1/C8H16NO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,6H2,1-4H3",C8H16NO3P,,,,,,MQDIIJHQSUNBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.457,244-519-2,21666-86-4,Hydroquinidine gluconate,"6'-methoxy-10,11-dihydrocinchonan-9-ol - D-gluconic acid (1:1)",CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C20H26N2O2.C6H12O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;2-5,7-11H,1H2,(H,12,13)",C20H26N2O2.C6H12O7,,,,,,LFDHHWHDYXAPIG-LCYSNFERSA-N,,,,,,,,,,,
100.044.054,248-475-5,27469-53-0,Almitrine,"N,N'-diallyl-6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1,3,5-triazine-2,4-diamine",Fc1ccc(cc1)C(N2CCN(CC2)c3nc(NCC=C)nc(NCC=C)n3)c4ccc(F)cc4,Fc1ccc(cc1)C(N2CCN(CC2)c3nc(NCC=C)nc(NCC=C)n3)c4ccc(F)cc4,"InChI=1/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)",C26H29F2N7,,,,,,OBDOVFRMEYHSQB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.057,248-478-1,27471-60-9,"2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-[2-(diethylamino)ethyl]acetamide monohydrochloride","2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-[2-(diethylamino)ethyl]acetamide hydrochloride",Cl.CCCCOc1ccc(OCC(=O)N(CCN(CC)CC)c2cc(OCC)ccc2OCC)cc1,Cl.CCCCOc1ccc(OCC(=O)N(CCN(CC)CC)c2cc(OCC)ccc2OCC)cc1,"InChI=1/C28H42N2O5.ClH/c1-6-11-20-34-23-12-14-24(15-13-23)35-22-28(31)30(19-18-29(7-2)8-3)26-21-25(32-9-4)16-17-27(26)33-10-5;/h12-17,21H,6-11,18-20,22H2,1-5H3;1H",C28H42N2O5.ClH,,,,,,UFFFQSODDRXNMI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.071,248-493-3,27490-70-6,Chloroisobutyldimethylsilane,chloro(isobutyl)dimethylsilane,CC(C)C[Si](C)(C)Cl,CC(C)C[Si](C)(C)Cl,"InChI=1/C6H15ClSi/c1-6(2)5-8(3,4)7/h6H,5H2,1-4H3",C6H15ClSi,,,,,,SFSURLOVKBVPAD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.076,248-499-6,27500-82-9,4-(chloromethyl)-3-methoxy-9H-xanthen-9-one,4-(chloromethyl)-3-methoxy-9H-xanthen-9-one,COc1ccc2C(=O)c3ccccc3Oc2c1CCl,COc1ccc2C(=O)c3ccccc3Oc2c1CCl,"InChI=1/C15H11ClO3/c1-18-12-7-6-10-14(17)9-4-2-3-5-13(9)19-15(10)11(12)8-16/h2-7H,8H2,1H3",C15H11ClO3,,,,,,HIPJVGGQFBOFQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.884,248-288-9,27175-91-3,Sodium tetradecane-1-sulphonate,sodium tetradecane-1-sulphonate,[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-],"InChI=1/4C10H22O3S.4Na/c4*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;/h4*2-10H2,1H3,(H,11,12,13);;;;/q;;;;4*+1/p-4",C14H30O3S.Na,,,,,,GOCZFPJIFWYFHL-UHFFFAOYSA-J,,,,,,,,,,,
100.043.886,248-291-5,27176-93-8,2-[2-(nonylphenoxy)ethoxy]ethanol,2-[2-(2-nonylphenoxy)ethoxy]ethanol,CCCCCCCCCc1ccccc1OCCOCCO,CCCCCCCCCc1ccccc1OCCOCCO,"InChI=1/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3",C19H32O3,,,,,,RRLGETDMEIMLQU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.889,248-294-1,27177-08-8,"29-(nonylphenoxy)-3,6,9,12,15,18,21,24,27-nonaoxanonacosanol","29-(2-nonylphenoxy)-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol",CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C35H64O11/c1-2-3-4-5-6-7-8-11-34-12-9-10-13-35(34)46-33-32-45-31-30-44-29-28-43-27-26-42-25-24-41-23-22-40-21-20-39-19-18-38-17-16-37-15-14-36/h9-10,12-13,36H,2-8,11,14-33H2,1H3",C35H64O11,,,,,,HYZLLJKTXYYLDT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.892,248-297-8,27177-78-2,Sodium dinonylbenzenesulphonate,"sodium 2,3-dinonylbenzenesulfonate",[Na+].CCCCCCCCCc1cccc(c1CCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCc1cccc(c1CCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C24H42O3S.Na/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(28(25,26)27)23(22)20-16-14-12-10-8-6-4-2;/h17,19,21H,3-16,18,20H2,1-2H3,(H,25,26,27);/q;+1/p-1",C24H42O3S.Na,,,,,,FIPGLBXQFKCVDI-UHFFFAOYSA-M,,,,,,,,,,,
100.045.066,249-588-2,29369-63-9,N-methyltetradecylamine,N-methyltetradecan-1-amine,CCCCCCCCCCCCCCNC,CCCCCCCCCCCCCCNC,"InChI=1/C15H33N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2/h16H,3-15H2,1-2H3",C15H33N,,,,,,QWERMLCFPMTLTG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.067,249-589-8,29377-89-7,4-anilino-2-methoxybenzenediazonium sulphate (2:1),bis(4-anilino-2-methoxybenzenediazonium) sulfate,COc1cc(Nc2ccccc2)ccc1[N+]#N.COc3cc(Nc4ccccc4)ccc3[N+]#N.[O-]S(=O)(=O)[O-],COc1cc(Nc2ccccc2)ccc1[N+]#N.COc3cc(Nc4ccccc4)ccc3[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/2C13H12N3O.H2O4S/c2*1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-5(2,3)4/h2*2-9,15H,1H3;(H2,1,2,3,4)/q2*+1;/p-2",C13H12N3O.1/2O4S,,,,,,GURASQVBMXLPMC-UHFFFAOYSA-L,,,,,,,,,,,
100.045.075,249-598-7,29387-86-8,Butoxypropan-1-ol,1-butoxypropan-1-ol,CCCCOC(O)CC,CCCCOC(O)CC,"InChI=1/C7H16O2/c1-3-5-6-9-7(8)4-2/h7-8H,3-6H2,1-2H3",C7H16O2,,,,,,IDQBJILTOGBZCR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.076,249-599-2,29388-59-8,"[R-(R*,R*)]-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol","2,3-bis(4-hydroxy-3-methoxybenzyl)butane-1,4-diol",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,"InChI=1/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",C20H26O6,,,,,,PUETUDUXMCLALY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.077,249-600-6,29389-51-3,2-[(ethoxycarbonyl)methylamino]-4-(ethylthio)-5-methoxybenzenediazonium hydrogen sulphate,2-[(2-ethoxy-2-oxoethyl)amino]-4-(ethylsulfanyl)-5-methoxybenzenediazonium hydrogen sulfate,CCOC(=O)CNc1cc(SCC)c(OC)cc1[N+]#N.[O-]S(=O)(=O)[O-],CCOC(=O)CNc1cc(SCC)c(OC)cc1[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/C13H18N3O3S.H2O4S/c1-4-19-13(17)8-15-9-7-12(20-5-2)11(18-3)6-10(9)16-14;1-5(2,3)4/h6-7,15H,4-5,8H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2",C13H18N3O3S.HO4S,,,,,,DLIAXBMFKXMGPL-UHFFFAOYSA-L,,,,,,,,,,,
100.045.078,249-601-1,29391-40-0,"[1R-(1a,2ß,4ß,5ß,6a)]-5,7,7-trimethyl-oxatricyclo[4.1.1.02,4]octane","5,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane",CC1C2OC2C3CC1C3(C)C,CC1C2OC2C3CC1C3(C)C,"InChI=1/C10H16O/c1-5-6-4-7(10(6,2)3)9-8(5)11-9/h5-9H,4H2,1-3H3",C10H16O,,,,,,GTLIZHGJEKYQFS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.079,249-602-7,29391-80-8,"[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl morpholine-4-acetate",2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl morpholin-4-ylacetate,OC(C(COC(=O)CN1CCOCC1)NC(=O)C(Cl)Cl)c2ccc(cc2)N(=O)=O,OC(C(COC(=O)CN1CCOCC1)NC(=O)C(Cl)Cl)c2ccc(cc2)N(=O)=O,"InChI=1/C17H21Cl2N3O7/c18-16(19)17(25)20-13(10-29-14(23)9-21-5-7-28-8-6-21)15(24)11-1-3-12(4-2-11)22(26)27/h1-4,13,15-16,24H,5-10H2,(H,20,25)",C17H21Cl2N3O7,,,,,,GTKMFTZKVBNTSR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.083,249-606-9,29398-98-9,Bis(2-ethylhexyl) 2-hydroxyethyl phosphate,bis(2-ethylhexyl) 2-hydroxyethyl phosphate,CCCCC(CC)COP(=O)(OCCO)OCC(CC)CCCC,CCCCC(CC)COP(=O)(OCCO)OCC(CC)CCCC,"InChI=1/C18H39O5P/c1-5-9-11-17(7-3)15-22-24(20,21-14-13-19)23-16-18(8-4)12-10-6-2/h17-19H,5-16H2,1-4H3",C18H39O5P,,,,,,GFQMBVPKXZQUHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.456,244-518-7,21663-61-6,"2,5-dichlorobenzonitrile","2,5-dichlorobenzonitrile",Clc1ccc(Cl)c(c1)C#N,Clc1ccc(Cl)c(c1)C#N,InChI=1/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,C7H3Cl2N,,,,,,LNGWRTKJZCBXGT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.040,248-459-8,27441-59-4,Calcium bis(6-aminohexanoate),calcium bis(6-aminohexanoate),[Ca+2].NCCCCCC(=O)[O-].NCCCCCC(=O)[O-],[Ca+2].NCCCCCC(=O)[O-].NCCCCCC(=O)[O-],"InChI=1/2C6H13NO2.Ca/c2*7-5-3-1-2-4-6(8)9;/h2*1-5,7H2,(H,8,9);/q;;+2/p-2",C6H13NO2.1/2Ca,,,,,,GALBSQAGDSITIK-UHFFFAOYSA-L,,,,,,,,,,,
100.044.045,248-465-0,27450-47-1,"6-[3-(dimethylamino)propyl]-6,12-dihydro-benzofuro[3,2-c][1]benzoxepin-6-ol","6-[3-(dimethylamino)propyl]-6,12-dihydro[1]benzofuro[3,2-c][1]benzoxepin-6-ol",CN(C)CCCC1(O)c2oc3ccccc3c2COc4ccccc14,CN(C)CCCC1(O)c2oc3ccccc3c2COc4ccccc14,"InChI=1/C21H23NO3/c1-22(2)13-7-12-21(23)17-9-4-6-11-19(17)24-14-16-15-8-3-5-10-18(15)25-20(16)21/h3-6,8-11,23H,7,12-14H2,1-2H3",C21H23NO3,,,,,,APUUXJMNFYPFOE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.046,248-466-6,27452-68-2,m-[[4-[[4-[(2-cyanoethyl)ethylamino]-o-tolyl]azo]-1-naphthyl]azo]benzenesulphonic acid,3-{[4-({4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonic acid,OS(=O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2ccc(cc2C)N(CC)CCC#N)c3ccccc34,OS(=O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2ccc(cc2C)N(CC)CCC#N)c3ccccc34,"InChI=1/C28H26N6O3S/c1-3-34(17-7-16-29)22-12-13-26(20(2)18-22)31-33-28-15-14-27(24-10-4-5-11-25(24)28)32-30-21-8-6-9-23(19-21)38(35,36)37/h4-6,8-15,18-19H,3,7,17H2,1-2H3,(H,35,36,37)",C28H26N6O3S,,,,,,UFXBCNONMFYXGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.050,248-470-8,27458-93-1,Isooctadecan-1-ol,16-methylheptadecan-1-ol,CC(C)CCCCCCCCCCCCCCCO,CC(C)CCCCCCCCCCCCCCCO,"InChI=1/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3",C18H38O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5497,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.050,WNWHHMBRJJOGFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.051,248-471-3,27458-94-2,Isononyl alcohol,7-methyloctan-1-ol,CC(C)CCCCCCO,CC(C)CCCCCCO,"InChI=1/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3",C9H20O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13404,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.051,QDTDKYHPHANITQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.055,248-476-0,27469-60-9,1-[bis(4-fluorophenyl)methyl]piperazine,1-[bis(4-fluorophenyl)methyl]piperazine,Fc1ccc(cc1)C(N2CCNCC2)c3ccc(F)cc3,Fc1ccc(cc1)C(N2CCNCC2)c3ccc(F)cc3,"InChI=1/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2",C17H18F2N2,,,,,,TTXIFFYPVGWLSE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.056,248-477-6,27470-51-5,Suxibuzone,"4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid",CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,"InChI=1/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)",C24H26N2O6,,,,,,ONWXNHPOAGOMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.058,248-479-7,27472-21-5,"(3,4-diethoxyphenyl)acetonitrile","(3,4-diethoxyphenyl)acetonitrile",CCOc1ccc(CC#N)cc1OCC,CCOc1ccc(CC#N)cc1OCC,"InChI=1/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3",C12H15NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11696,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.058,OBDKFHFLERWBBI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.060,248-481-8,27476-48-8,"Trimethylhexane-1,6-diol","5,6-dimethylheptane-1,6-diol",CC(CCCCO)C(C)(C)O,CC(CCCCO)C(C)(C)O,"InChI=1/C9H20O2/c1-8(9(2,3)11)6-4-5-7-10/h8,10-11H,4-7H2,1-3H3",C9H20O2,,,,,,BGQNNKZAJXZSPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.061,248-482-3,27476-93-3,"2-(heptadecenyl)-2,3-dihydro-1H-imidazole-1-ethylamine","2-(2-heptadec-5-en-1-yl-2,3-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCCCCCC=CCCCCC1NC=CN1CCN,CCCCCCCCCCCC=CCCCCC1NC=CN1CCN,"InChI=1/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h12-13,19,21-22,24H,2-11,14-18,20,23H2,1H3",C22H43N3,,,,,,HZWMDAFUECSDJU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.065,248-487-0,27479-29-4,(ethylbenzyl)dimethyltetradecylammonium chloride,"N-(2-ethylbenzyl)-N,N-dimethyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1CC,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1CC,"InChI=1/C25H46N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-19-22-26(3,4)23-25-21-18-17-20-24(25)6-2;/h17-18,20-21H,5-16,19,22-23H2,1-4H3;1H/q+1;/p-1",C25H46N.Cl,,,,,,OZOKZLKMPJQQJZ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.067,248-489-1,27479-45-4,Magnesium dodecylbenzenesulphonate,magnesium bis(2-dodecylbenzenesulfonate),[Mg+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Mg+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C18H30O3S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2",C18H30O3S.1/2Mg,,,,,,OQXSVLMHUIVNRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.044.068,248-490-7,27487-83-8,"5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile","5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile",COc1ccc(cc1OC)C(CCCCl)(C#N)C(C)C,COc1ccc(cc1OC)C(CCCCl)(C#N)C(C)C,"InChI=1/C16H22ClNO2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9H2,1-4H3",C16H22ClNO2,,,,,,VDQLTWSIHIWIFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.231,250-870-2,31949-21-0,Bromomethyl 2-methoxyphenyl ketone,2-bromo-1-(2-methoxyphenyl)ethanone,COc1ccccc1C(=O)CBr,COc1ccccc1C(=O)CBr,"InChI=1/C9H9BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5H,6H2,1H3",C9H9BrO2,,,,,,GKNCPTLOPRDYMH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.233,250-872-3,31953-18-1,"cis-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride","5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride",Cl.COc1ccc(cc1)[C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)C,Cl.COc1ccc(cc1)[C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)C,"InChI=1/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H",C22H26N2O4S.ClH,,,,,,HDRXZJPWHTXQRI-JUDYQFGCSA-N,,,,,,,,,,,
100.046.235,250-874-4,31962-94-4,"Card-20(22)-enolide, 3-[(O-2,6-dideoxy-3-O-methyl-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3ß,5ß,12ß)-","3-{[2,6-dideoxy-4-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,"InChI=1/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3",C42H66O14,,,,,,IYJMSDVSVHDVGT-PEQKVOOWSA-N,,,,,,,,,,,
100.046.239,250-879-1,31978-07-1,Allyldodecyldimethylammonium chloride,"N-allyl-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)CC=C,[Cl-].CCCCCCCCCCCC[N+](C)(C)CC=C,"InChI=1/C17H36N.ClH/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h6H,2,5,7-17H2,1,3-4H3;1H/q+1;/p-1",C17H36N.Cl,,,,,,ICYLLRVIJXEBBI-UHFFFAOYSA-M,,,,,,,,,,,
100.046.241,250-881-2,31980-90-2,3-benzoyl-2-methoxyhydratropic acid,2-(3-benzoyl-2-methoxyphenyl)propanoic acid,COc1c(cccc1C(=O)c2ccccc2)C(C)C(=O)O,COc1c(cccc1C(=O)c2ccccc2)C(C)C(=O)O,"InChI=1/C17H16O4/c1-11(17(19)20)13-9-6-10-14(16(13)21-2)15(18)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,19,20)",C17H16O4,,,,,,AULBUIGZOUKLJI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.242,250-882-8,31981-44-9,"17-hydroxy-19-norpregn-4-ene-3,20-dione 17-acetate",17-acetyl-3-oxoestr-4-en-17-yl acetate,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C22H30O4/c1-13(23)22(26-14(2)24)11-9-20-19-6-4-15-12-16(25)5-7-17(15)18(19)8-10-21(20,22)3/h12,17-20H,4-11H2,1-3H3",C22H30O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1914,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.242,MTSLFKWJINJVBO-ZCPXKWAGSA-N,,,,,,,,,,,
100.046.246,250-887-5,31994-60-2,Ethyl 2-(m-tert-butyl-p-hydroxyphenoxy)tetradecanoate,ethyl 2-(3-tert-butyl-4-hydroxyphenoxy)tetradecanoate,CCCCCCCCCCCCC(Oc1ccc(O)c(c1)C(C)(C)C)C(=O)OCC,CCCCCCCCCCCCC(Oc1ccc(O)c(c1)C(C)(C)C)C(=O)OCC,"InChI=1/C26H44O4/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(28)29-7-2)30-21-18-19-23(27)22(20-21)26(3,4)5/h18-20,24,27H,6-17H2,1-5H3",C26H44O4,,,,,,USQBFMHVASTQGU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.248,250-889-6,32001-55-1,Pyridinium fluoride,pyridinium fluoride,[F-].c1cc[nH+]cc1,[F-].c1cc[nH+]cc1,InChI=1/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H,C5H5N.FH,,,,,,GRJJQCWNZGRKAU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.249,250-890-1,32002-24-7,"Ethyl 3,3-diethoxyacrylate","ethyl 3,3-diethoxyacrylate",CCOC(=O)C=C(OCC)OCC,CCOC(=O)C=C(OCC)OCC,"InChI=1/C9H16O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h7H,4-6H2,1-3H3",C9H16O4,,,,,,POJGRKZMYVJCST-UHFFFAOYSA-N,,,,,,,,,,,
100.040.127,244-157-5,21028-49-9,"Phosphoric acid, barium titanium salt",-,[Ba+2].[Ti+2].[O-]P(=O)([O-])[O-],[Ba+2].[Ti+2].[O-]P(=O)([O-])[O-],"InChI=1/Ba.H3O4P.Ti/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+2;;+2/p-3",Ba.xH3O4P.xTi,,,,,,FDLZPULWDLRLFV-UHFFFAOYSA-K,,,,,,,,,,,
100.040.129,244-159-6,21035-44-9,N-ethyl-1-methylpropylamine,N-ethylbutan-2-amine,CCNC(C)CC,CCNC(C)CC,"InChI=1/C6H15N/c1-4-6(3)7-5-2/h6-7H,4-5H2,1-3H3",C6H15N,,,,,,KFYKZKISJBGVMR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.133,244-163-8,21037-26-3,"1-deoxy-1-(6-phenylazo-3,4-xylidino)-D-ribitol","1-deoxy-1-{[4,5-dimethyl-2-(phenyldiazenyl)phenyl]amino}pentitol",Cc1cc(NCC(O)C(O)C(O)CO)c(cc1C)N=Nc2ccccc2,Cc1cc(NCC(O)C(O)C(O)CO)c(cc1C)N=Nc2ccccc2,"InChI=1/C19H25N3O4/c1-12-8-15(20-10-17(24)19(26)18(25)11-23)16(9-13(12)2)22-21-14-6-4-3-5-7-14/h3-9,17-20,23-26H,10-11H2,1-2H3",C19H25N3O4,,,,,,NARUXRZZSJCXFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.134,244-164-3,21037-88-7,"1,1'-ethylenebis[4,5-dihydro-2-heptadecyl-1H-imidazole]","1,1'-ethane-1,2-diylbis(2-heptadecyl-4,5-dihydro-1H-imidazole)",CCCCCCCCCCCCCCCCCC1=NCCN1CCN2CCN=C2CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC1=NCCN1CCN2CCN=C2CCCCCCCCCCCCCCCCC,"InChI=1/C42H82N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-43-35-37-45(41)39-40-46-38-36-44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",C42H82N4,,,,,,RWHVJWKRVJWWAM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.084,248-508-3,27523-40-6,Isoconazole,"1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole",Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1,Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1,"InChI=1/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2",C18H14Cl4N2O,,,,,,MPIPASJGOJYODL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.615,250-192-7,30427-16-8,2-dimethylamino-p-cresol,2-(dimethylamino)-4-methylphenol,CN(C)c1cc(C)ccc1O,CN(C)c1cc(C)ccc1O,"InChI=1/C9H13NO/c1-7-4-5-9(11)8(6-7)10(2)3/h4-6,11H,1-3H3",C9H13NO,,,,,,GAMCKBORIMJJBE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.616,250-193-2,30429-79-9,"Bis[N-(2-mercaptophenyl)benzamidato-N,S]zinc",zinc bis(2'-carbamoylbiphenyl-2-thiolate),NC(=O)c1ccccc1c2ccccc2S[Zn]Sc3ccccc3c4ccccc4C(=O)N,NC(=O)c1ccccc1c2ccccc2S[Zn]Sc3ccccc3c4ccccc4C(=O)N,"InChI=1/2C13H11NOS.Zn/c2*14-13(15)11-7-2-1-5-9(11)10-6-3-4-8-12(10)16;/h2*1-8,16H,(H2,14,15);/q;;+2/p-2/rC26H20N2O2S2Zn/c27-25(29)21-13-3-1-9-17(21)19-11-5-7-15-23(19)31-33-32-24-16-8-6-12-20(24)18-10-2-4-14-22(18)26(28)30/h1-16H,(H2,27,29)(H2,28,30)",C26H20N2O2S2Zn,,,,,,QJBCYBMEIACBOY-UHFFFAOYSA-L,,,,,,,,,,,
100.045.619,250-196-9,30433-91-1,Thiophene-2-ethylamine,2-(2-thienyl)ethanamine,NCCc1cccs1,NCCc1cccs1,"InChI=1/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2",C6H9NS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12301,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.619,HVLUYXIJZLDNIS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.623,250-201-4,30442-12-7,"Phosphinetriyltris[N,N-dimethylaniline]","2,2',2''-phosphinetriyltris(N,N-dimethylaniline)",CN(C)c1ccccc1P(c2ccccc2N(C)C)c3ccccc3N(C)C,CN(C)c1ccccc1P(c2ccccc2N(C)C)c3ccccc3N(C)C,"InChI=1/C24H30N3P/c1-25(2)19-13-7-10-16-22(19)28(23-17-11-8-14-20(23)26(3)4)24-18-12-9-15-21(24)27(5)6/h7-18H,1-6H3",C24H30N3P,,,,,,QSVXMOKGHFNTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.624,250-203-5,30443-47-1,Zinc tert-butylbenzoate,zinc bis(2-tert-butylbenzoate),[Zn+2].CC(C)(C)c1ccccc1C(=O)[O-].CC(C)(C)c2ccccc2C(=O)[O-],[Zn+2].CC(C)(C)c1ccccc1C(=O)[O-].CC(C)(C)c2ccccc2C(=O)[O-],"InChI=1/2C11H14O2.Zn/c2*1-11(2,3)9-7-5-4-6-8(9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",C11H14O2.1/2Zn,,,,,,JDWKHPKWCUBDHC-UHFFFAOYSA-L,,,,,,,,,,,
100.040.750,244-841-3,22205-30-7,Bis(dodecylthio)dioctylstannane,bis(dodecylsulfanyl)(dioctyl)stannane,CCCCCCCCCCCCS[Sn](CCCCCCCC)(CCCCCCCC)SCCCCCCCCCCCC,CCCCCCCCCCCCS[Sn](CCCCCCCC)(CCCCCCCC)SCCCCCCCCCCCC,"InChI=1/2C12H26S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-5-7-8-6-4-2;/h2*13H,2-12H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC40H84S2Sn/c1-5-9-13-17-21-23-25-27-29-33-37-41-43(39-35-31-19-15-11-7-3,40-36-32-20-16-12-8-4)42-38-34-30-28-26-24-22-18-14-10-6-2/h5-40H2,1-4H3",C40H84S2Sn,,,,,,ZLQKLRJBHMDQPD-UHFFFAOYSA-L,,,,,,,,,,,
100.040.757,244-849-7,22227-26-5,"3,5-bis(trifluoromethyl)benzamide","3,5-bis(trifluoromethyl)benzamide",NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)",C9H5F6NO,,,,,,YNOPIKHMZIOWHS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.758,244-850-2,22228-82-6,Ammonium isobutyrate,ammonium 2-methylpropanoate,[NH4+].CC(C)C(=O)[O-],[NH4+].CC(C)C(=O)[O-],"InChI=1/C4H8O2.H3N/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);1H3",C4H8O2.H3N,,,,,,MDUBPQGQPBQGGN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.772,244-865-4,22248-79-9,Tetrachlorvinphos,"2-chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate",Clc1cc(C(=CCl)OP(=O)(OC)OC)c(Cl)cc1Cl,Clc1cc(C(=CCl)OP(=O)(OC)OC)c(Cl)cc1Cl,"InChI=1/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3",C10H9Cl4O4P,,,,,,UBCKGWBNUIFUST-UHFFFAOYSA-N,,,,,,,,,,,
100.040.774,244-868-0,22251-85-0,"Riboflavin 5'-(dihydrogen phosphate), sodium salt","sodium 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-(hydroxyphosphinato)pentitol",Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)O[Na])c2cc1C,Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)O[Na])c2cc1C,"InChI=1/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/rC17H20N4NaO9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(26)20-17(27)19-15)5-11(23)14(25)12(24)6-30-32(28,29)31-22/h3-4,11-12,14,23-25H,5-6H2,1-2H3,(H,28,29)(H,20,26,27)",C17H21N4O9P.xNa,,,,,,OHSHFZJLPYLRIP-UHFFFAOYSA-M,,,,,,,,,,,
100.042.744,247-034-4,25495-92-5,Iodohexane,1-iodohexane,CCCCCCI,CCCCCCI,"InChI=1/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3",C6H13I,,,,,,ANOOTOPTCJRUPK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.748,247-039-1,25496-75-7,"Propane-1,2-diol, monopropionate",2-hydroxypropyl propionate,CCC(=O)OCC(C)O,CCC(=O)OCC(C)O,"InChI=1/C6H12O3/c1-3-6(8)9-4-5(2)7/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,AAMWEWAFFUFOJV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.749,247-040-7,25496-77-9,2-hydroxy-1-phenylethyl acetate,2-hydroxy-1-phenylethyl acetate,CC(=O)OC(CO)c1ccccc1,CC(=O)OC(CO)c1ccccc1,"InChI=1/C10H12O3/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3",C10H12O3,,,,,,LOLNQOPVHRAGHR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.375,248-828-3,28086-13-7,Phenylmercury salicylate,phenylmercury(1+) salicylate,Oc1ccccc1C(=O)[O-].[Hg+]c2ccccc2,Oc1ccccc1C(=O)[O-].[Hg+]c2ccccc2,"InChI=1/C7H6O3.C6H5.Hg/c8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;/h1-4,8H,(H,9,10);1-5H;/q;;+1/p-1/rC7H6O3.C6H5Hg/c8-6-4-2-1-3-5(6)7(9)10;7-6-4-2-1-3-5-6/h1-4,8H,(H,9,10);1-5H/q;+1/p-1",C13H10HgO3,,,,,,YQRBOMYQIMHOLM-UHFFFAOYSA-M,,,,,,,,,,,
100.045.091,249-615-8,29419-39-4,Disodium (sulphonatothio)acetate,disodium (sulfonatosulfanyl)acetate,[Na+].[Na+].[O-]C(=O)CSS(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)CSS(=O)(=O)[O-],"InChI=1/C2H4O5S2.2Na/c3-2(4)1-8-9(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);;/q;2*+1/p-2",C2H4O5S2.2Na,,,,,,FGCFIXCNYBJDNT-UHFFFAOYSA-L,,,,,,,,,,,
100.045.098,249-623-1,29430-22-6,17ß-hydroxyandrost-4-en-3-one octanoate,3-oxoandrost-4-en-17-yl octanoate,CCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H42O3/c1-4-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-18-20(28)14-16-26(19,2)23(21)15-17-27(22,24)3/h18,21-24H,4-17H2,1-3H3",C27H42O3,,,,,,KCQOWSKVHVGCCF-ZLQWOROUSA-N,,,,,,,,,,,
100.042.559,246-830-9,25319-73-7,"3',6'-dimercaptospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-disulfanyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Sc1ccc2c(Oc3cc(S)ccc3C24OC(=O)c5ccccc45)c1,Sc1ccc2c(Oc3cc(S)ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C20H12O3S2/c21-19-13-3-1-2-4-14(13)20(23-19)15-7-5-11(24)9-17(15)22-18-10-12(25)6-8-16(18)20/h1-10,24-25H",C20H12O3S2,,,,,,QOMSORNLFVSVPW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.562,246-834-0,25320-79-0,2-naphthyl a-D-glucopyranoside,2-naphthyl alpha-D-glucopyranoside,OC[C@H]1O[C@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2",C16H18O6,,,,,,MWHKPYATGMFFPI-LJIZCISZSA-N,,,,,,,,,,,
100.042.563,246-835-6,25321-09-9,Diisopropylbenzene,"1,2-diisopropylbenzene",CC(C)c1ccccc1C(C)C,CC(C)c1ccccc1C(C)C,"InChI=1/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3",C12H18,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13543,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.563,OKIRBHVFJGXOIS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.567,246-839-8,25321-41-9,Xylenesulphonic acid,"2,3-dimethylbenzenesulfonic acid",Cc1cccc(c1C)S(=O)(=O)O,Cc1cccc(c1C)S(=O)(=O)O,"InChI=1/C8H10O3S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)",C8H10O3S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14326,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.567,ZZXDRXVIRVJQBT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.577,246-850-8,25327-89-3,"1,1'-isopropylidenebis[4-(allyloxy)-3,5-dibromobenzene]","1,1'-propane-2,2-diylbis[4-(allyloxy)-3,5-dibromobenzene]",CC(C)(c1cc(Br)c(OCC=C)c(Br)c1)c2cc(Br)c(OCC=C)c(Br)c2,CC(C)(c1cc(Br)c(OCC=C)c(Br)c1)c2cc(Br)c(OCC=C)c(Br)c2,"InChI=1/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3",C21H20Br4O2,,,,,,PWXTUWQHMIFLKL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.581,246-855-5,25332-39-2,"2-[3-[4-(3-chlorophenyl)piperazin-1-y]propyl]-1,2,4-triazolo[4,3-a]pyridine-3(2H)-one hydrochloride","2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one",Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2,Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2,"InChI=1/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2",C19H22ClN5O.ClH,,,,,,PHLBKPHSAVXXEF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.582,246-856-0,25333-25-9,(2-methoxybenzylidene)phenylacetic acid,3-(2-methoxyphenyl)-2-phenylacrylic acid,COc2ccccc2C=C(c1ccccc1)C(O)=O,COc2ccccc2C=C(c1ccccc1)C(O)=O,"InChI=1/C16H14O3/c1-19-15-10-6-5-9-13(15)11-14(16(17)18)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)",C16H14O3,,,,,,SJSYJHLLBBSLIH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.583,246-857-6,25333-42-0,(R)-quinuclidin-3-ol,quinuclidin-3-ol,O[C@H]1CN2CCC1CC2,O[C@H]1CN2CCC1CC2,"InChI=1/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2",C7H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18818,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.583,IVLICPVPXWEGCA-ZETCQYMHSA-N,,,,,,,,,,,
100.042.584,246-858-1,25333-49-7,Endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 2-propylvalerate,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 2-propylpentanoate,CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2C,"InChI=1/C16H29NO2/c1-4-6-12(7-5-2)16(18)19-15-10-13-8-9-14(11-15)17(13)3/h12-15H,4-11H2,1-3H3",C16H29NO2,,,,,,VLSNGHXZFCXIFJ-FICVDOATSA-N,,,,,,,,,,,
100.042.587,246-861-8,25333-83-9,1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]propan-1-one maleate,1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one but-2-enedioate,CCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1.OC(=O)\\C=C/C(=O)O,CCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1.OC(=O)\C=C/C(=O)O,"InChI=1/C20H24N2OS.C4H4O4/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;5-3(6)1-2-4(7)8/h5-6,8-11,14H,4,7,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C20H24N2OS.C4H4O4,,,,,,BBYDPETWONYPJS-BTJKTKAUSA-N,,,,,,,,,,,
100.042.589,246-863-9,25338-51-6,tert-butylstyrene,1-tert-butyl-2-vinylbenzene,CC(C)(C)c1ccccc1C=C,CC(C)(C)c1ccccc1C=C,"InChI=1/C12H16/c1-5-10-8-6-7-9-11(10)12(2,3)4/h5-9H,1H2,2-4H3",C12H16,,,,,,LUECERFWADIZPD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.596,246-871-2,25339-56-4,Heptene,hept-1-ene,C=CCCCCC,C=CCCCCC,"InChI=1/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3",C7H14,,,,,,ZGEGCLOFRBLKSE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.271,244-314-8,21286-54-4,D-2-oxobornane-10-sulphonyl chloride,"(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonyl chloride",CC1(C)C2CCC1(CS(=O)(=O)Cl)C(=O)C2,CC1(C)C2CCC1(CS(=O)(=O)Cl)C(=O)C2,"InChI=1/C10H15ClO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3",C10H15ClO3S,,,,,,BGABKEVTHIJBIW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.078,248-502-0,27503-81-7,2-phenyl-1H-benzimidazole-5-sulphonic acid,2-phenyl-1H-benzimidazole-5-sulfonic acid,OS(=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3,OS(=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3,"InChI=1/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)",C13H10N2O3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5464,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.078,UVCJGUGAGLDPAA-UHFFFAOYSA-N,Positive/Negative,SM823802;SM878701;TUE00581|TUE00582|TUE00583,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD35;NA10.0V|NA20.0V|NA40.0V,275.0484:194.0839:195.0917;275.0484:194.0839:195.0917;275.0487:194.0835|275.0486:194.0837:195.0917|194.0838:193.076:195.0919,CASMI_2016;CASMI_2016;Env_Anal_Chem_U_Tuebingen,SM823851;SM878751;TUE00585|TUE00586|TUE00587;UF417251|UF417252|UF417253|UF417254,[M-H]-;[M-H]-;[M-H]-;[M-H]-,HCD35;HCD35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55,273.034:193.0771:209.0721;273.0341:193.0772:209.0716;273.0338:193.077|193.077:273.0337:209.0719|193.077:79.9571:208.0639;273.0339|273.0338:193.0769|193.0772|193.0771,CASMI_2016;CASMI_2016;Env_Anal_Chem_U_Tuebingen;UFZ
100.045.613,250-190-6,30418-89-4,(E)-non-2-enyl acetate,non-2-en-1-yl acetate,CCCCCC\\C=C\\COC(=O)C,CCCCCC\C=C\COC(=O)C,"InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-7,10H2,1-2H3",C11H20O2,,,,,,WFCCNPHGLLPSDJ-CMDGGOBGSA-N,,,,,,,,,,,
100.045.614,250-191-1,30425-47-9,1-(4-methoxyphenyl)pyrrolidin-2-one,1-(4-methoxyphenyl)pyrrolidin-2-one,COc1ccc(cc1)N2CCCC2=O,COc1ccc(cc1)N2CCCC2=O,"InChI=1/C11H13NO2/c1-14-10-6-4-9(5-7-10)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3",C11H13NO2,,,,,,IDJCCRRYIMWLSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.617,250-194-8,30431-53-9,"Pentyl 3,5,6-trichlorosalicylate","pentyl 2,3,5-trichloro-6-hydroxybenzoate",CCCCCOC(=O)c1c(O)c(Cl)cc(Cl)c1Cl,CCCCCOC(=O)c1c(O)c(Cl)cc(Cl)c1Cl,"InChI=1/C12H13Cl3O3/c1-2-3-4-5-18-12(17)9-10(15)7(13)6-8(14)11(9)16/h6,16H,2-5H2,1H3",C12H13Cl3O3,,,,,,LSJXFRHMMURWFI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.755,244-847-6,22223-49-0,Methyl 3-methylanthranilate,methyl 2-amino-3-methylbenzoate,COC(=O)c1cccc(C)c1N,COC(=O)c1cccc(C)c1N,"InChI=1/C9H11NO2/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5H,10H2,1-2H3",C9H11NO2,,,,,,VSFYTPXXMLJNAU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.756,244-848-1,22224-92-6,Fenamiphos,ethyl 3-methyl-4-(methylsulfanyl)phenyl isopropylamidophosphate,CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1,CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1,"InChI=1/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)",C13H22NO3PS,,,,,,ZCJPOPBZHLUFHF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.762,244-854-4,22232-54-8,Carbimazole,"ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate",CCOC(=O)N1C=CN(C)C1=S,CCOC(=O)N1C=CN(C)C1=S,"InChI=1/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3",C7H10N2O2S,,,,,,CFOYWRHIYXMDOT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.763,244-856-5,22232-57-1,Racefemine,N-(1-methyl-2-phenylethyl)-1-phenoxypropan-2-amine,CC(COc1ccccc1)NC(C)Cc2ccccc2,CC(COc1ccccc1)NC(C)Cc2ccccc2,"InChI=1/C18H23NO/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3",C18H23NO,,,,,,URCIJDUOBBSMII-UHFFFAOYSA-N,,,,,,,,,,,
100.040.768,244-861-2,22236-45-9,"S,S-dimethyl-N-(p-tolylsulphonyl)sulphoximide",N-[dimethyl(oxido)-lambda~4~-sulfanylidene]-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)N=S(=O)(C)C,Cc1ccc(cc1)S(=O)(=O)N=S(=O)(C)C,"InChI=1/C9H13NO3S2/c1-8-4-6-9(7-5-8)15(12,13)10-14(2,3)11/h4-7H,1-3H3",C9H13NO3S2,,,,,,IRNAWARRPQUZDU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.770,244-863-3,22239-54-9,"4'-(1-methylethyl)[1,1'-biphenyl]-4-ol",4'-isopropylbiphenyl-4-ol,CC(C)c1ccc(cc1)c2ccc(O)cc2,CC(C)c1ccc(cc1)c2ccc(O)cc2,"InChI=1/C15H16O/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14/h3-11,16H,1-2H3",C15H16O,,,,,,YHZQOKUDQQISEW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.778,244-872-2,22253-11-8,2-phenylindan,2-phenylindane,C1C(Cc2ccccc12)c3ccccc3,C1C(Cc2ccccc12)c3ccccc3,"InChI=1/C15H14/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h1-9,15H,10-11H2",C15H14,,,,,,PZZIWXQGJNDBRF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.779,244-873-8,22254-24-6,Ipratropium bromide,3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide,[Br-].CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,[Br-].CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,"InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1",C20H30NO3.Br,,,,,,LHLMOSXCXGLMMN-WDTICOSOSA-M,,,,,,,,,,,
100.040.781,244-875-9,22255-40-9,"[1S-(1a,4aa,6a,7a,7aa)]-1-(ß-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid","1-(hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid",CC1C(O)CC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O,CC1C(O)CC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O,"InChI=1/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)",C16H24O10,,,,,,JNNGEAWILNVFFD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.782,244-876-4,22256-71-9,"Oleic acid, compound with dicyclohexylamine (1:1)",octadec-9-enoic acid - N-cyclohexylcyclohexanamine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.C1CCC(CC1)NC2CCCCC2,CCCCCCCC\C=C/CCCCCCCC(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C18H34O2.C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9-10H,2-8,11-17H2,1H3,(H,19,20);11-13H,1-10H2",C18H34O2.C12H23N,,,,,,AYTIAPQIRMHXML-KVVVOXFISA-N,,,,,,,,,,,
100.040.783,244-878-5,22256-74-2,"(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with morpholine (1:1)",N-methyl-N-oleoylglycine - morpholine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(=O)O.C1COCCN1,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.C1COCCN1,"InChI=1/C21H39NO3.C4H9NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;1-3-6-4-2-5-1/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);5H,1-4H2",C21H39NO3.C4H9NO,,,,,,BBKJVGHKJVJVEY-GMFCBQQYSA-N,,,,,,,,,,,
100.045.725,250-313-3,30727-29-8,2-(dimethylamino)cyclohexan-1-ol,2-(dimethylamino)cyclohexanol,CN(C)C1CCCCC1O,CN(C)C1CCCCC1O,"InChI=1/C8H17NO/c1-9(2)7-5-3-4-6-8(7)10/h7-8,10H,3-6H2,1-2H3",C8H17NO,,,,,,UFUVLAQFZSUWHR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.732,250-321-7,30744-85-5,"N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]valeramide","2-(4-{[4-(benzyloxy)phenyl]sulfonyl}phenoxy)-N-[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(cc3)S(=O)(=O)c4ccc(OCc5ccccc5)cc4)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(cc3)S(=O)(=O)c4ccc(OCc5ccccc5)cc4)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,"InChI=1/C52H61ClN2O8S/c1-10-51(6,7)36-19-30-45(42(32-36)52(8,9)11-2)61-31-15-18-46(56)54-37-20-29-43(53)44(33-37)55-49(58)47(48(57)50(3,4)5)63-39-23-27-41(28-24-39)64(59,60)40-25-21-38(22-26-40)62-34-35-16-13-12-14-17-35/h12-14,16-17,19-30,32-33,47H,10-11,15,18,31,34H2,1-9H3,(H,54,56)(H,55,58)",C52H61ClN2O8S,,,,,,AHFGXYNQFIKDFT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.739,250-329-0,30756-60-6,Decahydronaphthol,decahydronaphthalen-1-ol,OC1CCCC2CCCCC12,OC1CCCC2CCCCC12,"InChI=1/C10H18O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-11H,1-7H2",C10H18O,,,,,,NDZOISQLWLWLEW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.741,250-331-1,30772-69-1,"Octahydro-4,7-methano-1H-indenemethyl acetate","octahydro-1H-4,7-methanoinden-1-ylmethyl acetate",CC(=O)OCC1CCC2C3CCC(C3)C12,CC(=O)OCC1CCC2C3CCC(C3)C12,"InChI=1/C13H20O2/c1-8(14)15-7-11-4-5-12-9-2-3-10(6-9)13(11)12/h9-13H,2-7H2,1H3",C13H20O2,,,,,,TXFBASMXWNIAGS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.748,250-339-5,30784-30-6,"p-(1,1-dimethylheptyl)phenol","4-(1,1-dimethylheptyl)phenol",CCCCCCC(C)(C)c1ccc(O)cc1,CCCCCCC(C)(C)c1ccc(O)cc1,"InChI=1/C15H24O/c1-4-5-6-7-12-15(2,3)13-8-10-14(16)11-9-13/h8-11,16H,4-7,12H2,1-3H3",C15H24O,,,,,,IJWXCYSPVNCDMA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.750,243-742-2,20336-95-2,Lithium decanoate,lithium decanoate,[Li+].CCCCCCCCCC(=O)[O-],[Li+].CCCCCCCCCC(=O)[O-],"InChI=1/C10H20O2.Li/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1",C10H20O2.Li,,,,,,POYDCAKGHSRECA-UHFFFAOYSA-M,,,,,,,,,,,
100.039.751,243-743-8,20336-96-3,Lithium myristate,lithium myristate,[Li+].CCCCCCCCCCCCCC(=O)[O-],[Li+].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/C14H28O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1",C14H28O2.Li,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/17124,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.751,KJSPVJJOPONRTK-UHFFFAOYSA-M,,,,,,,,,,,
100.039.758,243-751-1,20348-09-8,"2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one","2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one",O=C1COc2cccnc2N1,O=C1COc2cccnc2N1,"InChI=1/C7H6N2O2/c10-6-4-11-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,10)",C7H6N2O2,,,,,,ANHQLUBMNSSPBV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.760,243-753-2,20348-21-4,"2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one","2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one",CC1(C)Oc2cccnc2NC1=O,CC1(C)Oc2cccnc2NC1=O,"InChI=1/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12)",C9H10N2O2,,,,,,DMLNXUUGRSBBBR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.723,245-911-6,23850-78-4,Isobutyloxirane,2-isobutyloxirane,CC(C)CC1CO1,CC(C)CC1CO1,"InChI=1/C6H12O/c1-5(2)3-6-4-7-6/h5-6H,3-4H2,1-2H3",C6H12O,,,,,,YXIOECOAAMLHPG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.725,245-913-7,23851-28-7,N-glycylglycine hydrochloride,glycylglycine hydrochloride,Cl.NCC(=O)NCC(=O)O,Cl.NCC(=O)NCC(=O)O,"InChI=1/C4H8N2O3.ClH/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H",C4H8N2O3.xClH,,,,,,YHBAZQDEMYQPJL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.728,245-916-3,23857-51-4,"9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium perchlorate","9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium perchlorate",CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.[O-]Cl(=O)(=O)=O,CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.[O-]Cl(=O)(=O)=O,"InChI=1/C28H30N2O3.ClHO4/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;2-1(3,4)5/h9-18H,5-8H2,1-4H3;(H,2,3,4,5)",C28H31N2O3.ClO4,,,,,,JYOBKLDILFTWJN-UHFFFAOYSA-M,,,,,,,,,,,
100.041.739,245-928-9,23887-46-9,Cinepazide,"1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazine",O=C(CN1CCN(CC1)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)N3CCCC3,O=C(CN1CCN(CC1)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)N3CCCC3,"InChI=1/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3",C22H31N3O5,,,,,,RCUDFXMNPQNBDU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.740,245-929-4,23887-47-0,Cinpropazide,"N-isopropyl-2-{4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazin-1-yl}acetamide",O=C(CN1CCN(CC1)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)NC(C)C,O=C(CN1CCN(CC1)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)NC(C)C,"InChI=1/C21H31N3O5/c1-15(2)22-19(25)14-23-8-10-24(11-9-23)20(26)7-6-16-12-17(27-3)21(29-5)18(13-16)28-4/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,22,25)",C21H31N3O5,,,,,,SGDDXBVRZYARLT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.377,248-830-4,28088-73-5,Hexanitrobiphenyldiamine,"3,3',4,4',5,5'-hexanitrobiphenyl-2,2'-diamine",Nc1c(cc(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c2cc(c(c(c2N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Nc1c(cc(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c2cc(c(c(c2N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H6N8O12/c13-7-3(1-5(15(21)22)9(17(25)26)11(7)19(29)30)4-2-6(16(23)24)10(18(27)28)12(8(4)14)20(31)32/h1-2H,13-14H2",C12H6N8O12,,,,,,UKFLKXPAZWYTJP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.381,248-835-1,28092-54-8,"(3aS-cis)-1,3-dibenzyltetrahydro-4-(3-methoxypropylidene)-1H-thieno[3,4-d]imidazol-2(3H)-one","1,3-dibenzyl-4-(3-methoxypropylidene)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one",COCC\\C=C/1\\SC[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,COCC\C=C/1\SC[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,"InChI=1/C23H26N2O2S/c1-27-14-8-13-21-22-20(17-28-21)24(15-18-9-4-2-5-10-18)23(26)25(22)16-19-11-6-3-7-12-19/h2-7,9-13,20,22H,8,14-17H2,1H3",C23H26N2O2S,,,,,,OTOVKAPQUJOUHD-ZQOFNOHESA-N,,,,,,,,,,,
100.044.388,248-843-5,28100-39-2,(2-hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate,"2-hydroxy-N,N-dimethylethanaminium 2-(4-chlorophenoxy)-2-methylpropanoate",C[NH+](C)CCO.CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],C[NH+](C)CCO.CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],"InChI=1/C10H11ClO3.C4H11NO/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;1-5(2)3-4-6/h3-6H,1-2H3,(H,12,13);6H,3-4H2,1-2H3",C10H11ClO3.C4H11NO,,,,,,HVZZHPNMKVVHID-UHFFFAOYSA-N,,,,,,,,,,,
100.044.389,248-844-0,28104-02-1,"2-methoxy-4-methyl-1,3-dioxolane","2-methoxy-4-methyl-1,3-dioxolane",COC1OCC(C)O1,COC1OCC(C)O1,"InChI=1/C5H10O3/c1-4-3-7-5(6-2)8-4/h4-5H,3H2,1-2H3",C5H10O3,,,,,,QKJZGZIHQKQLOE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.390,248-845-6,28106-10-7,Bromoethoxybenzene,(1-bromoethoxy)benzene,CC(Br)Oc1ccccc1,CC(Br)Oc1ccccc1,"InChI=1/C8H9BrO/c1-7(9)10-8-5-3-2-4-6-8/h2-7H,1H3",C8H9BrO,,,,,,WFPDYYHUULCORF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.397,248-852-4,28118-15-2,3-ethyl-2-[2-[(3-ethyl-5-phenyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-phenylbenzoxazolium bromide,"3-ethyl-2-{2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-phenyl-1,3-benzoxazol-3-ium bromide",[Br-].CC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CC)c3ccccc3)c6ccccc6,[Br-].CC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CC)c3ccccc3)c6ccccc6,"InChI=1/C35H33N2O2.BrH/c1-4-25(21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-13-9-7-10-14-26)22-35-37(6-3)31-24-29(18-20-33(31)39-35)27-15-11-8-12-16-27;/h7-24H,4-6H2,1-3H3;1H/q+1;/p-1",C35H33N2O2.Br,,,,,,BUTFUHVAKJPHHB-UHFFFAOYSA-M,,,,,,,,,,,
100.044.400,248-856-6,28129-21-7,"2,2'-iminobisethanol hydrobromide","2,2'-iminodiethanol hydrobromide",Br.OCCNCCO,Br.OCCNCCO,"InChI=1/C4H11NO2.BrH/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H",C4H11NO2.BrH,,,,,,HZOPTYGSWRGRBS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.404,248-860-8,28138-78-5,Trisodium nitrilotrimethanesulphonate,trisodium nitrilotrimethanesulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)CN(CS(=O)(=O)[O-])CS(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)(=O)CN(CS(=O)(=O)[O-])CS(=O)(=O)[O-],"InChI=1/C3H9NO9S3.3Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H,5,6,7)(H,8,9,10)(H,11,12,13);;;/q;3*+1/p-3",C3H9NO9S3.3Na,,,,,,ZMHARKSPNAFQAE-UHFFFAOYSA-K,,,,,,,,,,,
100.044.410,248-867-6,28143-91-1,"[S(R*,R*)]-2-amino-1-phenylpropane-1,3-diol","2-amino-1-phenylpropane-1,3-diol",NC(CO)C(O)c1ccccc1,NC(CO)C(O)c1ccccc1,"InChI=1/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2",C9H13NO2,,,,,,JUCGVCVPNPBJIG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.411,248-868-1,28150-15-4,"3,5-diaminobenzyl alcohol dihydrochloride","(3,5-diaminophenyl)methanol dihydrochloride",Cl.Cl.Nc1cc(N)cc(CO)c1,Cl.Cl.Nc1cc(N)cc(CO)c1,"InChI=1/C7H10N2O.2ClH/c8-6-1-5(4-10)2-7(9)3-6;;/h1-3,10H,4,8-9H2;2*1H",C7H10N2O.2ClH,,,,,,JPEQTVYJBMDSFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.469,244-532-3,21691-50-9,tert-butyl L-alaninate,tert-butyl L-alaninate,C[C@H](N)C(=O)OC(C)(C)C,C[C@H](N)C(=O)OC(C)(C)C,"InChI=1/C7H15NO2/c1-5(8)6(9)10-7(2,3)4/h5H,8H2,1-4H3",C7H15NO2,,,,,,TZHVYFBSLOMRCU-YFKPBYRVSA-N,,,,,,,,,,,
100.040.480,244-544-9,21725-46-2,Cyanazine,"2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile",CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,"InChI=1/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)",C9H13ClN6,,,,,,MZZBPDKVEFVLFF-UHFFFAOYSA-N,Positive,EA275901|EA275902|EA275903|EA275904|EA275905|EA275906|EA275907|EA275908|EA275909|EA275910|EA275911|EA275912|EA275913|EA275914,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,214.0857:205.1197:174.0541|241.0965:214.0851:71.0602|241.0967:214.0856:205.1197|214.0855:241.0966:174.054|214.0853:104.0011:132.0323|104.0011:68.0244:96.0557|104.001:68.0244:71.0604|241.0964:214.0854|241.0964:214.0855:205.1196|214.0855:241.0962:174.0541|214.0854:104.001:132.0323|104.001:68.0244:96.0556|104.001:68.0243:71.0604|214.0855:205.1197:174.0541,Eawag,,,,,
100.040.483,244-548-0,21729-98-6,Methyl cyanocarbamate,methyl cyanocarbamate,COC(=O)NC#N,COC(=O)NC#N,"InChI=1/C3H4N2O2/c1-7-3(6)5-2-4/h1H3,(H,5,6)",C3H4N2O2,,,,,,ZSYJMXLJNPEAGP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.486,244-551-7,21732-17-2,1H-tetrazol-1-acetic acid,1H-tetrazol-1-ylacetic acid,OC(=O)Cn1cnnn1,OC(=O)Cn1cnnn1,"InChI=1/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)",C3H4N4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17014,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.486,GRWAIJBHBCCLGS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.487,244-552-2,21734-43-0,"3,5-dihydroxy-N-(2-hydroxyethyl)benzamide","3,5-dihydroxy-N-(2-hydroxyethyl)benzamide",OCCNC(=O)c1cc(O)cc(O)c1,OCCNC(=O)c1cc(O)cc(O)c1,"InChI=1/C9H11NO4/c11-2-1-10-9(14)6-3-7(12)5-8(13)4-6/h3-5,11-13H,1-2H2,(H,10,14)",C9H11NO4,,,,,,HBICMRZCQLNXRU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.280,244-324-2,21301-10-0,N-(carboxymethyl)-DL-cysteine,N-(carboxymethyl)-L-cysteine,OC(=O)CN[C@@H](CS)C(=O)O,OC(=O)CN[C@@H](CS)C(=O)O,"InChI=1/C5H9NO4S/c7-4(8)1-6-3(2-11)5(9)10/h3,6,11H,1-2H2,(H,7,8)(H,9,10)",C5H9NO4S,,,,,,VUCDIRJQEQYQRN-VKHMYHEASA-N,,,,,,,,,,,
100.040.287,244-332-6,21320-90-1,5-nitrotoluene-2-sulphonyl chloride,2-methyl-4-nitrobenzenesulfonyl chloride,Cc1cc(ccc1S(=O)(=O)Cl)[N+](=O)[O-],Cc1cc(ccc1S(=O)(=O)Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO4S/c1-5-4-6(9(10)11)2-3-7(5)14(8,12)13/h2-4H,1H3",C7H6ClNO4S,,,,,,WREICNIHNBOUJV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.290,244-335-2,21331-80-6,[2-(dimethylamino)ethyl]triphenylphosphonium bromide,[2-(dimethylamino)ethyl](triphenyl)phosphonium bromide,[Br-].CN(C)CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CN(C)CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H25NP.BrH/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,18-19H2,1-2H3;1H/q+1;/p-1",C22H25NP.Br,,,,,,YIIHEMGEQQWSMA-UHFFFAOYSA-M,,,,,,,,,,,
100.040.292,244-337-3,21342-85-8,2-chloro-3-(m-chloro-o-tolyl)propionitrile,2-chloro-3-(3-chloro-2-methylphenyl)propanenitrile,Cc1c(Cl)cccc1CC(Cl)C#N,Cc1c(Cl)cccc1CC(Cl)C#N,"InChI=1/C10H9Cl2N/c1-7-8(5-9(11)6-13)3-2-4-10(7)12/h2-4,9H,5H2,1H3",C10H9Cl2N,,,,,,YYJUXSGXHHPBTK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.294,244-339-4,21348-16-3,Calcium trichloroacetate,calcium bis(trichloroacetate),[Ca+2].[O-]C(=O)C(Cl)(Cl)Cl.[O-]C(=O)C(Cl)(Cl)Cl,[Ca+2].[O-]C(=O)C(Cl)(Cl)Cl.[O-]C(=O)C(Cl)(Cl)Cl,"InChI=1/2C2HCl3O2.Ca/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2",C2HCl3O2.1/2Ca,,,,,,PAFYVDNYOJAWDX-UHFFFAOYSA-L,,,,,,,,,,,
100.040.295,244-341-5,21348-59-4,"Oxalic acid, niobium salt",niobium(2+) oxalate,[Nb+2].[O-]C(=O)C(=O)[O-],[Nb+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Nb/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.xNb,,,,,,NAIRZPRKOQHYBO-UHFFFAOYSA-L,,,,,,,,,,,
100.040.302,244-348-3,21364-46-5,Isoquinolinium chloride,isoquinolinium chloride,[Cl-].c1ccc2c[nH+]ccc2c1,[Cl-].c1ccc2c[nH+]ccc2c1,InChI=1/C9H7N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-7H;1H,C9H7N.ClH,,,,,,IYRMNDOLPONSCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.303,244-349-9,21368-26-3,"Ethyl 2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-(2H)-pyrimidin-5-ylidene)-2,3-dihydro-3,4-dimethylthiazole-5-carboxylate","ethyl 2-(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate",CCOC(=O)C1=C(C)N(C)C(=C2C(=O)N(CC)C(=S)N(CC)C2=O)S1,CCOC(=O)C1=C(C)N(C)C(=C2C(=O)N(CC)C(=S)N(CC)C2=O)S1,"InChI=1/C16H21N3O4S2/c1-6-18-12(20)10(13(21)19(7-2)16(18)24)14-17(5)9(4)11(25-14)15(22)23-8-3/h6-8H2,1-5H3",C16H21N3O4S2,,,,,,YTTIJYIEPFKITG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.305,244-352-5,21370-71-8,trans-bicyclo(4.4.0)decan-1-one,octahydronaphthalen-1(2H)-one,O=C1CCCC2CCCCC12,O=C1CCCC2CCCCC12,"InChI=1/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-9H,1-7H2",C10H16O,,,,,,AFEFRXAPJRCTOW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.306,244-353-0,21378-21-2,3-methylcyclohex-2-en-1-ol,3-methylcyclohex-2-en-1-ol,CC1=CC(O)CCC1,CC1=CC(O)CCC1,"InChI=1/C7H12O/c1-6-3-2-4-7(8)5-6/h5,7-8H,2-4H2,1H3",C7H12O,,,,,,XNDZQQSKSQTQQD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.308,244-355-1,21391-98-0,4-isopropylcyclohexenecarbaldehyde,4-isopropylcyclohex-1-ene-1-carbaldehyde,CC(C)C1CCC(=CC1)C=O,CC(C)C1CCC(=CC1)C=O,"InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3",C10H16O,,,,,,AEVLWICMAHGAMS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.310,244-357-2,21394-42-3,N-(1-oxooctadecyl)-DL-methionine,N-stearoyl-L-methionine,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C23H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h21H,3-20H2,1-2H3,(H,24,25)(H,26,27)",C23H45NO3S,,,,,,RYUVEEZMMFRGGS-NRFANRHFSA-N,,,,,,,,,,,
100.040.311,244-358-8,21394-44-5,N-(1-oxododecyl)-DL-methionine,N-dodecanoyl-L-methionine,CCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,CCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C17H33NO3S/c1-3-4-5-6-7-8-9-10-11-12-16(19)18-15(17(20)21)13-14-22-2/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21)",C17H33NO3S,,,,,,PFSGUIFKRGNSHV-HNNXBMFYSA-N,,,,,,,,,,,
100.040.314,244-361-4,21394-52-5,N-(1-oxohexyl)-DL-methionine,N-hexanoyl-L-methionine,CCCCCC(=O)N[C@@H](CCSC)C(=O)O,CCCCCC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C11H21NO3S/c1-3-4-5-6-10(13)12-9(11(14)15)7-8-16-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)",C11H21NO3S,,,,,,WUVVOUFAPBDGTP-VIFPVBQESA-N,,,,,,,,,,,
100.043.898,248-303-9,27182-51-0,N-amidinodecan-1-amide,N-carbamimidoyldecanamide,CCCCCCCCCC(=O)NC(=N)N,CCCCCCCCCC(=O)NC(=N)N,"InChI=1/C11H23N3O/c1-2-3-4-5-6-7-8-9-10(15)14-11(12)13/h2-9H2,1H3,(H4,12,13,14,15)",C11H23N3O,,,,,,LIEUIAOUJMFOJB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.900,248-306-5,27184-78-7,Barium bis(thioborate),barium bis(thioborate),[Ba+2].[Ba+2].[Ba+2].[O-]B([O-])[S-].[O-]B([O-])[S-],[Ba+2].[Ba+2].[Ba+2].[O-]B([O-])[S-].[O-]B([O-])[S-],InChI=1/2BO2S.3Ba/c2*2-1(3)4;;;/q2*-3;3*+2,BHS2.1/2Ba,,,,,,FNTJTMJDSHRAOD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.906,248-312-8,27193-86-8,Dodecylphenol,2-dodecylphenol,CCCCCCCCCCCCc1ccccc1O,CCCCCCCCCCCCc1ccccc1O,"InChI=1/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3",C18H30O,,,,,,CYEJMVLDXAUOPN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.379,248-833-0,28092-52-6,"(3aS-cis)-1,3-dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2,4-dione","1,3-dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2,4-dione",O=C1SC[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,O=C1SC[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,"InChI=1/C19H18N2O2S/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2",C19H18N2O2S,,,,,,XJZIDYQGGLZUIO-IRXDYDNUSA-N,,,,,,,,,,,
100.044.382,248-836-7,28092-62-8,"(3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione","1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione",O=C1OC[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,O=C1OC[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,"InChI=1/C19H18N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2",C19H18N2O3,,,,,,FGFSEMWCZBVRHG-IRXDYDNUSA-N,,,,,,,,,,,
100.044.384,248-838-8,28098-03-5,"Octanoic acid, compound with 2-aminoethanol (1:1)",octanoic acid - 2-aminoethanol (1:1),CCCCCCCC(=O)O.NCCO,CCCCCCCC(=O)O.NCCO,"InChI=1/C8H16O2.C2H7NO/c1-2-3-4-5-6-7-8(9)10;3-1-2-4/h2-7H2,1H3,(H,9,10);4H,1-3H2",C8H16O2.C2H7NO,,,,,,ZGIPIEWHOQEVJN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.385,248-839-3,28098-67-1,"[S-(R*,S*)]-2-methyl-2-(4-methylcyclohex-3-enyl)oxirane",2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane,CC1=CCC(CC1)C2(C)CO2,CC1=CCC(CC1)C2(C)CO2,"InChI=1/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3",C10H16O,,,,,,PJGRMBOWSWHGDV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.391,248-846-1,28106-30-1,Ethylstyrene,1-ethyl-2-vinylbenzene,CCc1ccccc1C=C,CCc1ccccc1C=C,"InChI=1/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3",C10H12,,,,,,VTPNYMSKBPZSTF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.396,248-851-9,28118-10-7,"5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-3-(3-sulphonatobutyl)-1H-benzimidazolium","4-{5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-3-ethyl-2,3-dihydro-1H-benzimidazol-3-ium-1-yl}butane-2-sulfonate",Clc3cc4N(CC)/C(=C\\C=CC2[NH+](CC)c1cc(Cl)c(Cl)cc1N2CCC(C)S([O-])(=O)=O)N(CC)c4cc3Cl,Clc3cc4N(CC)/C(=C\C=CC2[NH+](CC)c1cc(Cl)c(Cl)cc1N2CCC(C)S([O-])(=O)=O)N(CC)c4cc3Cl,"InChI=1/C27H32Cl4N4O3S/c1-5-32-22-13-18(28)19(29)14-23(22)33(6-2)26(32)9-8-10-27-34(7-3)24-15-20(30)21(31)16-25(24)35(27)12-11-17(4)39(36,37)38/h8-10,13-17,27H,5-7,11-12H2,1-4H3,(H,36,37,38)",C27H30Cl4N4O3S,,,,,,GCXJCRWEIOFYJT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.409,248-866-0,28141-42-6,Sodium o-toluidinomethanesulphonate,sodium [(2-methylphenyl)amino]methanesulfonate,[Na+].Cc1ccccc1NCS(=O)(=O)[O-],[Na+].Cc1ccccc1NCS(=O)(=O)[O-],"InChI=1/C8H11NO3S.Na/c1-7-4-2-3-5-8(7)9-6-13(10,11)12;/h2-5,9H,6H2,1H3,(H,10,11,12);/q;+1/p-1",C8H11NO3S.Na,,,,,,HVNSRKJRNXKPEA-UHFFFAOYSA-M,,,,,,,,,,,
100.040.458,244-520-8,21668-81-5,3-[(aminoiminomethyl)thio]propanesulphonic acid,3-(carbamimidoylsulfanyl)propane-1-sulfonic acid,NC(=N)SCCCS(=O)(=O)O,NC(=N)SCCCS(=O)(=O)O,"InChI=1/C4H10N2O3S2/c5-4(6)10-2-1-3-11(7,8)9/h1-3H2,(H3,5,6)(H,7,8,9)",C4H10N2O3S2,,,,,,MQLJIOAPXLAGAP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.461,244-523-4,21678-64-8,N-[3-[bis(2-cyanoethyl)amino]phenyl]acetamide,N-{3-[bis(2-cyanoethyl)amino]phenyl}acetamide,CC(=O)Nc1cccc(c1)N(CCC#N)CCC#N,CC(=O)Nc1cccc(c1)N(CCC#N)CCC#N,"InChI=1/C14H16N4O/c1-12(19)17-13-5-2-6-14(11-13)18(9-3-7-15)10-4-8-16/h2,5-6,11H,3-4,9-10H2,1H3,(H,17,19)",C14H16N4O,,,,,,WDZNAWTYQUZIPL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.470,244-533-9,21700-74-3,(4-chlorophenyl)triethoxysilane,(4-chlorophenyl)(triethoxy)silane,CCO[Si](OCC)(OCC)c1ccc(Cl)cc1,CCO[Si](OCC)(OCC)c1ccc(Cl)cc1,"InChI=1/C12H19ClO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-11(13)8-10-12/h7-10H,4-6H2,1-3H3",C12H19ClO3Si,,,,,,AFILDYMJSTXBAR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.473,244-537-0,21705-13-5,Methyl D-alaninate,methyl D-alaninate,COC(=O)[C@@H](C)N,COC(=O)[C@@H](C)N,"InChI=1/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3",C4H9NO2,,,,,,DWKPPFQULDPWHX-GSVOUGTGSA-N,,,,,,,,,,,
100.040.476,244-540-7,21717-29-3,6-ethylpyridin-2-amine,6-ethylpyridin-2-amine,CCc1cccc(N)n1,CCc1cccc(N)n1,"InChI=1/C7H10N2/c1-2-6-4-3-5-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)",C7H10N2,,,,,,JXKAUUVMXZIJNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.479,244-543-3,21722-83-8,2-cyclohexylethyl acetate,2-cyclohexylethyl acetate,CC(=O)OCCC1CCCCC1,CC(=O)OCCC1CCCCC1,"InChI=1/C10H18O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3",C10H18O2,,,,,,NOTFZGFABLVTIG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.488,244-553-8,21736-60-7,1-[(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo]anthraquinone,"1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-9,10-anthraquinone",O=C4c3cccc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c3C(=O)c5ccccc45,O=C4c3cccc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c3C(=O)c5ccccc45,"InChI=1/C24H16N4O3/c1-14-21(24(31)28(27-14)15-8-3-2-4-9-15)26-25-19-13-7-12-18-20(19)23(30)17-11-6-5-10-16(17)22(18)29/h2-13,21H,1H3",C24H16N4O3,,,,,,UKHANRPQRABKCI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.490,244-555-9,21737-55-3,"10,11-dihydro-N,5-dimethyl-5H-dibenz[b,f]azepin-10-amine hydrochloride","N,5-dimethyl-10,11-dihydro-5H-dibenzo[b,f]azepin-10-amine hydrochloride",Cl.CNC1Cc2ccccc2N(C)c3ccccc13,Cl.CNC1Cc2ccccc2N(C)c3ccccc13,"InChI=1/C16H18N2.ClH/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16;/h3-10,14,17H,11H2,1-2H3;1H",C16H18N2.xClH,,,,,,BCPGMBBFDXZUKD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.741,245-931-5,23893-84-7,"4,5-dibromohexahydrophthalic anhydride","5,6-dibromohexahydro-2-benzofuran-1,3-dione",BrC1CC2C(CC1Br)C(=O)OC2=O,BrC1CC2C(CC1Br)C(=O)OC2=O,"InChI=1/C8H8Br2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h3-6H,1-2H2",C8H8Br2O3,,,,,,MTFOVFKEUAKPNY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.744,245-934-1,23903-49-3,Ethyl 5-acetamido-4-cyano-3-methylthenoate,ethyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate,CCOC(=O)c1sc(NC(=O)C)c(C#N)c1C,CCOC(=O)c1sc(NC(=O)C)c(C#N)c1C,"InChI=1/C11H12N2O3S/c1-4-16-11(15)9-6(2)8(5-12)10(17-9)13-7(3)14/h4H2,1-3H3,(H,13,14)",C11H12N2O3S,,,,,,HOXMUFDZGGNNEA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.375,247-729-2,26479-97-0,Bis[2-[ethyl(3-methylphenyl)amino]ethyl] adipate,bis{2-[ethyl(3-methylphenyl)amino]ethyl} adipate,CCN(CCOC(=O)CCCCC(=O)OCCN(CC)c1cccc(C)c1)c2cccc(C)c2,CCN(CCOC(=O)CCCCC(=O)OCCN(CC)c1cccc(C)c1)c2cccc(C)c2,"InChI=1/C28H40N2O4/c1-5-29(25-13-9-11-23(3)21-25)17-19-33-27(31)15-7-8-16-28(32)34-20-18-30(6-2)26-14-10-12-24(4)22-26/h9-14,21-22H,5-8,15-20H2,1-4H3",C28H40N2O4,,,,,,GSGOXDRESSXNBM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.389,247-744-4,26495-91-0,N-[(triethoxysilyl)methyl]cyclohexylamine,N-[(triethoxysilyl)methyl]cyclohexanamine,CCO[Si](CNC1CCCCC1)(OCC)OCC,CCO[Si](CNC1CCCCC1)(OCC)OCC,"InChI=1/C13H29NO3Si/c1-4-15-18(16-5-2,17-6-3)12-14-13-10-8-7-9-11-13/h13-14H,4-12H2,1-3H3",C13H29NO3Si,,,,,,WUFHQGLVNNOXMP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.391,247-747-0,26496-20-8,Tetradecan-4-one,tetradecan-4-one,CCCCCCCCCCC(=O)CCC,CCCCCCCCCCC(=O)CCC,"InChI=1/C14H28O/c1-3-5-6-7-8-9-10-11-13-14(15)12-4-2/h3-13H2,1-2H3",C14H28O,,,,,,OWIOJZLDFONFSU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.394,247-750-7,26505-12-4,2-[(4-hydrazinophenyl)sulphonyl]ethanol,2-[(4-hydrazinophenyl)sulfonyl]ethanol,NNc1ccc(cc1)S(=O)(=O)CCO,NNc1ccc(cc1)S(=O)(=O)CCO,"InChI=1/C8H12N2O3S/c9-10-7-1-3-8(4-2-7)14(12,13)6-5-11/h1-4,10-11H,5-6,9H2",C8H12N2O3S,,,,,,IQIBZZZBPKFTAE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.023,247-341-3,25913-22-8,1-[2-[3-(allyloxy)-2-hydroxypropoxy]ethyl]imidazolidin-2-one,1-{2-[3-(allyloxy)-2-hydroxypropoxy]ethyl}imidazolidin-2-one,OC(COCCN1CCNC1=O)COCC=C,OC(COCCN1CCNC1=O)COCC=C,"InChI=1/C11H20N2O4/c1-2-6-16-8-10(14)9-17-7-5-13-4-3-12-11(13)15/h2,10,14H,1,3-9H2,(H,12,15)",C11H20N2O4,,,,,,JAYLUQCYXGIURG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.026,247-345-5,25915-57-5,Sucrose dilaurate,3-O-dodecanoyl-beta-D-fructofuranosyl 2-O-dodecanoyl-alpha-D-glucopyranoside,CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCC,"InChI=1/C36H66O13/c1-3-5-7-9-11-13-15-17-19-21-28(40)46-33-32(44)30(42)26(23-37)45-35(33)49-36(25-39)34(31(43)27(24-38)48-36)47-29(41)22-20-18-16-14-12-10-8-6-4-2/h26-27,30-35,37-39,42-44H,3-25H2,1-2H3",C36H66O13,,,,,,CZGRHGQESNWIQU-SDBGFSJOSA-N,,,,,,,,,,,
100.043.030,247-349-7,25926-16-3,"5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(1-sulpho-2-naphthyl)azo]naphthalene-2,7-disulphonic acid","5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(1-sulfo-2-naphthyl)diazenyl]naphthalene-2,7-disulfonic acid",Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n5,Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n5,"InChI=1/C23H14Cl2N6O10S3/c24-21-27-22(25)29-23(28-21)26-15-9-12(42(33,34)35)7-11-8-16(43(36,37)38)18(19(32)17(11)15)31-30-14-6-5-10-3-1-2-4-13(10)20(14)44(39,40)41/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29)",C23H14Cl2N6O10S3,,,,,,OOLXNSHBCINPEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.033,247-352-3,25933-55-5,Neptunium tetranitrate,-,[Np+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Np+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/4NO3.Np/c4*2-1(3)4;/q4*-1;+3,HNO3.1/4Np,,,,,,ASYFFWVKUYSWNI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.036,247-356-5,25942-40-9,"Sodium o-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]benzenesulphonate","sodium 2-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]benzenesulfonate",[Na+].Oc1c(Cl)cc(Cl)cc1C(c2cc(Cl)cc(Cl)c2O)c3ccccc3S(=O)(=O)[O-],[Na+].Oc1c(Cl)cc(Cl)cc1C(c2cc(Cl)cc(Cl)c2O)c3ccccc3S(=O)(=O)[O-],"InChI=1/C19H12Cl4O5S.Na/c20-9-5-12(18(24)14(22)7-9)17(13-6-10(21)8-15(23)19(13)25)11-3-1-2-4-16(11)29(26,27)28;/h1-8,17,24-25H,(H,26,27,28);/q;+1/p-1",C19H12Cl4O5S.Na,,,,,,HNTNBFWCACDSSS-UHFFFAOYSA-M,,,,,,,,,,,
100.043.037,247-357-0,25948-11-2,5-nitro-2-n-propylaminopyridine,5-nitro-N-propylpyridin-2-amine,CCCNc1ccc(cn1)[N+](=O)[O-],CCCNc1ccc(cn1)[N+](=O)[O-],"InChI=1/C8H11N3O2/c1-2-5-9-8-4-3-7(6-10-8)11(12)13/h3-4,6H,2,5H2,1H3,(H,9,10)",C8H11N3O2,,,,,,KZWODZHPEMBNTR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.041,247-361-2,25952-53-8,"N'-(ethylcarbonimidoyl)-N,N-dimethylpropane-1,3-diamine monohydrochloride",N-[3-(dimethylamino)propyl]-N'-ethylcarbodiimide hydrochloride,Cl.CCN=C=NCCCN(C)C,Cl.CCN=C=NCCCN(C)C,"InChI=1/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H",C8H17N3.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17871,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.041,FPQQSJJWHUJYPU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.495,244-561-1,21742-26-7,(2-chlorophenyl)(hydroxyimino)acetonitrile,(2-chlorophenyl)(hydroxyimino)acetonitrile,Clc1ccccc1C(=NO)C#N,Clc1ccccc1C(=NO)C#N,"InChI=1/C8H5ClN2O/c9-7-4-2-1-3-6(7)8(5-10)11-12/h1-4,12H",C8H5ClN2O,,,,,,IUROYCYHNOGWHM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.497,244-563-2,21743-75-9,1H-tetrazol-5-acetic acid,1H-tetrazol-5-ylacetic acid,OC(=O)Cc1nnn[nH]1,OC(=O)Cc1nnn[nH]1,"InChI=1/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)",C3H4N4O2,,,,,,JUNAPQMUUHSYOV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.126,246-355-7,24613-65-8,"1,9-diiodononane","1,9-diiodononane",ICCCCCCCCCI,ICCCCCCCCCI,InChI=1/C9H18I2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2,C9H18I2,,,,,,QVXLFUVDXDMDFE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.088,248-513-0,27538-09-6,5-ethyl-4-hydroxy-2-methylfuran-3(2H)-one,5-ethyl-4-hydroxy-2-methylfuran-3(2H)-one,CCC1=C(O)C(=O)C(C)O1,CCC1=C(O)C(=O)C(C)O1,"InChI=1/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h4,9H,3H2,1-2H3",C7H10O3,,,,,,QJYOEDXNPLUUAR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.093,248-518-8,27550-52-3,Dioctylbis(oleoyloxy)stannane,dioctyl[bis(oleoyloxy)]stannane,CCCCCCCC\\C=C/CCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/2C18H34O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-8-6-4-2;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC52H100O4Sn/c1-5-9-13-17-21-23-25-27-29-31-33-35-37-39-43-47-51(53)55-57(49-45-41-19-15-11-7-3,50-46-42-20-16-12-8-4)56-52(54)48-44-40-38-36-34-32-30-28-26-24-22-18-14-10-6-2/h27-30H,5-26,31-50H2,1-4H3",C52H100O4Sn,,,,,,SNZAWIWMBQMVSB-BGSQTJHASA-L,,,,,,,,,,,
100.044.100,248-526-1,27560-48-1,"2,2'-[(dimethylsilylene)bis(oxy)]bisethanol","2,2'-[(dimethylsilanediyl)bis(oxy)]diethanol",C[Si](C)(OCCO)OCCO,C[Si](C)(OCCO)OCCO,"InChI=1/C6H16O4Si/c1-11(2,9-5-3-7)10-6-4-8/h7-8H,3-6H2,1-2H3",C6H16O4Si,,,,,,VEXAWNUFZZYOCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.117,248-545-5,27580-35-4,5-chloro-2-methylbenzenediazonium,5-chloro-2-methylbenzenediazonium,Cc1ccc(Cl)cc1[N+]#N,Cc1ccc(Cl)cc1[N+]#N,"InChI=1/C7H6ClN2/c1-5-2-3-6(8)4-7(5)10-9/h2-4H,1H3/q+1",C7H6ClN2,,,,,,RRSHLAWSHRGHTL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.118,248-546-0,27581-00-6,"1-[(5,8-dihydro-1-naphthyl)oxy]-3-(isopropylamino)propan-2-ol","1-(5,8-dihydronaphthalen-1-yloxy)-3-(isopropylamino)propan-2-ol",CC(C)NCC(O)COc1cccc2CC=CCc12,CC(C)NCC(O)COc1cccc2CC=CCc12,"InChI=1/C16H23NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-5,7,9,12,14,17-18H,6,8,10-11H2,1-2H3",C16H23NO2,,,,,,MMODIROKOSLUHP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.000,249-515-4,29213-78-3,"2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium","3-(2-{2-[(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CC,"InChI=1/C26H29ClN2O3S3/c1-5-19(14-25-28(6-2)22-16-20(27)8-9-23(22)33-25)15-26-29(10-7-11-35(30,31)32)21-12-17(3)18(4)13-24(21)34-26/h8-9,12-16H,5-7,10-11H2,1-4H3",C26H29ClN2O3S3,,,,,,YJQBFLHCXFMMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.003,249-519-6,29214-62-8,Ethyl 3-acetoxy-2-butenoate,ethyl 3-acetoxybut-2-enoate,CCOC(=O)C=C(C)OC(C)=O,CCOC(=O)C=C(C)OC(C)=O,"InChI=1/C8H12O4/c1-4-11-8(10)5-6(2)12-7(3)9/h5H,4H2,1-3H3",C8H12O4,,,,,,VSCUAMOPAHJJTA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.005,249-521-7,29216-28-2,Mequitazine,10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-10H-phenothiazine,C(C1CN2CCC1CC2)N3c4ccccc4Sc5ccccc35,C(C1CN2CCC1CC2)N3c4ccccc4Sc5ccccc35,"InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2",C20H22N2S,,,,,,HOKDBMAJZXIPGC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.788,244-883-2,22266-25-7,[2-(3-ethoxy-3-oxopropyl)cyclohexyl]dimethylammonium hydrogen maleate,"2-(3-ethoxy-3-oxopropyl)-N,N-dimethylcyclohexanaminium hydrogen but-2-enedioate",CCOC(=O)CCC1CCCCC1[NH+](C)C.[O-]C(=O)\\C=C/C(=O)[O-],CCOC(=O)CCC1CCCCC1[NH+](C)C.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C13H25NO2.C4H4O4/c1-4-16-13(15)10-9-11-7-5-6-8-12(11)14(2)3;5-3(6)1-2-4(7)8/h11-12H,4-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-1",C13H25NO2.C4H4O4,,,,,,KJDGINDHADLMKF-BTJKTKAUSA-M,,,,,,,,,,,
100.040.793,244-889-5,22280-56-4,2-chloro-3-methyl-5-nitropyridine,2-chloro-3-methyl-5-nitropyridine,Cc1cc(cnc1Cl)[N+](=O)[O-],Cc1cc(cnc1Cl)[N+](=O)[O-],"InChI=1/C6H5ClN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3",C6H5ClN2O2,,,,,,OSIOIGXJUZTWRI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.795,244-891-6,22283-43-8,1-[p-(dimethylamino)phenyl]thiourea,1-[4-(dimethylamino)phenyl]thiourea,CN(C)c1ccc(NC(=S)N)cc1,CN(C)c1ccc(NC(=S)N)cc1,"InChI=1/C9H13N3S/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13)",C9H13N3S,,,,,,IETJMRDFWVXWMR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.796,244-892-1,22286-82-4,Ethyl methylenephenylacetate,ethyl atropate,CCOC(=O)C(=C)c1ccccc1,CCOC(=O)C(=C)c1ccccc1,"InChI=1/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3",C11H12O2,,,,,,BOIWYTYYWPXGAT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.910,248-317-5,27195-16-0,Sucrose distearate,3-O-stearoyl-beta-D-fructofuranosyl 2-O-stearoyl-alpha-D-glucopyranoside,CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C48H90O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(52)58-45-44(56)42(54)38(35-49)57-47(45)61-48(37-51)46(43(55)39(36-50)60-48)59-41(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-47,49-51,54-56H,3-37H2,1-2H3",C48H90O13,,,,,,PWKKXYHVSOXBNB-CJKAUBRRSA-N,,,,,,,,,,,
100.043.917,248-324-3,27206-35-5,"Disodium 3,3'-dithiobis[propanesulphonate]","disodium 3,3'-disulfanediyldipropane-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)CCCSSCCCS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)CCCSSCCCS(=O)(=O)[O-],"InChI=1/C6H14O6S4.2Na/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2",C6H14O6S4.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17626,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.917,WIYCQLLGDNXIBA-UHFFFAOYSA-L,,,,,,,,,,,
100.043.925,248-333-2,27214-90-0,Diisooctyl sebacate,bis(6-methylheptyl) sebacate,CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C,"InChI=1/C26H50O4/c1-23(2)17-11-9-15-21-29-25(27)19-13-7-5-6-8-14-20-26(28)30-22-16-10-12-18-24(3)4/h23-24H,5-22H2,1-4H3",C26H50O4,,,,,,ZWYAVGUHWPLBGT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.931,248-340-0,27216-47-3,Sucrose myristate,3-O-tetradecanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside,CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C26H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(30)36-24-21(32)18(15-28)37-26(24,16-29)38-25-23(34)22(33)20(31)17(14-27)35-25/h17-18,20-25,27-29,31-34H,2-16H2,1H3",C26H48O12,,,,,,FQGFFHBYLGJSAU-ZHBLIPIOSA-N,,,,,,,,,,,
100.045.103,249-628-9,29443-23-0,Allyltriethylammonium bromide,"N,N,N-triethylprop-2-en-1-aminium bromide",[Br-].CC[N+](CC)(CC)CC=C,[Br-].CC[N+](CC)(CC)CC=C,"InChI=1/C9H20N.BrH/c1-5-9-10(6-2,7-3)8-4;/h5H,1,6-9H2,2-4H3;1H/q+1;/p-1",C9H20N.Br,,,,,,BDRVEARQBLPFIP-UHFFFAOYSA-M,,,,,,,,,,,
100.045.105,249-631-5,29444-46-0,2-methyl-6-propylpyrazine,2-methyl-6-propylpyrazine,CCCc1cncc(C)n1,CCCc1cncc(C)n1,"InChI=1/C8H12N2/c1-3-4-8-6-9-5-7(2)10-8/h5-6H,3-4H2,1-2H3",C8H12N2,,,,,,RMVVGACFOGJRMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.109,249-635-7,29450-09-7,2-(2-pyridyloxy)ethyl(dimethyl)amine,"N,N-dimethyl-2-(pyridin-2-yloxy)ethanamine",CN(C)CCOc1ccccn1,CN(C)CCOc1ccccn1,"InChI=1/C9H14N2O/c1-11(2)7-8-12-9-5-3-4-6-10-9/h3-6H,7-8H2,1-2H3",C9H14N2O,,,,,,YULRZMYHLLQZEI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.110,249-636-2,29450-45-1,2-ethylhexyl (4-chloro-2-methylphenoxy)acetate,2-ethylhexyl (4-chloro-2-methylphenoxy)acetate,CCCCC(CC)COC(=O)COc1ccc(Cl)cc1C,CCCCC(CC)COC(=O)COc1ccc(Cl)cc1C,"InChI=1/C17H25ClO3/c1-4-6-7-14(5-2)11-21-17(19)12-20-16-9-8-15(18)10-13(16)3/h8-10,14H,4-7,11-12H2,1-3H3",C17H25ClO3,,,,,,IDGRPSMONFWWEK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.116,249-643-0,29457-48-5,Tributyl(undec-10-enoyloxy)stannane,tributyl(undec-10-enoyloxy)stannane,CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCC=C,CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCC=C,"InChI=1/C11H20O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11(12)13;3*1-3-4-2;/h2H,1,3-10H2,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC23H46O2Sn/c1-5-9-13-14-15-16-17-18-19-23(24)25-26(20-10-6-2,21-11-7-3)22-12-8-4/h5H,1,6-22H2,2-4H3",C23H46O2Sn,,,,,,XEMFLPGDKXELSO-UHFFFAOYSA-M,,,,,,,,,,,
100.045.120,249-647-2,29460-92-2,Isobutylpyrazine,2-isobutylpyrazine,CC(C)Cc1cnccn1,CC(C)Cc1cnccn1,"InChI=1/C8H12N2/c1-7(2)5-8-6-9-3-4-10-8/h3-4,6-7H,5H2,1-2H3",C8H12N2,,,,,,YAIMUUJMEBJXAA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.625,244-703-2,21995-33-5,Ammonium praseodymium(3+) disulphate,ammonium praseodymium(3+) disulphate,[NH4+].[Pr+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Pr+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S.Pr/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);/q;;;+3/p-3",H3N.2H2O4S.Pr,,,,,,HYZRYPNPDNJBGI-UHFFFAOYSA-K,,,,,,,,,,,
100.040.626,244-704-8,21995-34-6,Ammonium neodymium(3+) disulphate,ammonium neodymium(3+) disulphate,[NH4+].[Nd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Nd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.Nd.2H2O4S/c;;2*1-5(2,3)4/h1H3;;2*(H2,1,2,3,4)/q;+3;;/p-3",H3N.2H2O4S.Nd,,,,,,AADFAKZJDLLLCK-UHFFFAOYSA-K,,,,,,,,,,,
100.040.627,244-705-3,22002-45-5,2-bromo-4-methylanisole,2-bromo-1-methoxy-4-methylbenzene,COc1ccc(C)cc1Br,COc1ccc(C)cc1Br,"InChI=1/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3",C8H9BrO,,,,,,DHPUIKWBNXTXOB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.628,244-706-9,22002-84-2,2-hydroxy-3-(phosphonooxy)propyl myristate,2-hydroxy-3-(phosphonooxy)propyl myristate,CCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O,CCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O,"InChI=1/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)",C17H35O7P,,,,,,FAZBDRGXCKPVJU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.491,244-556-4,21738-42-1,Oxamniquine,"{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol",CC(C)NCC1CCc2cc(CO)c(cc2N1)[N+](=O)[O-],CC(C)NCC1CCc2cc(CO)c(cc2N1)[N+](=O)[O-],"InChI=1/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3",C14H21N3O3,,,,,,XCGYUJZMCCFSRP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.492,244-558-5,21739-92-4,5-bromo-2-chlorobenzoic acid,5-bromo-2-chlorobenzoic acid,OC(=O)c1cc(Br)ccc1Cl,OC(=O)c1cc(Br)ccc1Cl,"InChI=1/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)",C7H4BrClO2,,,,,,FGERXQWKKIVFQG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.125,246-354-1,24613-61-4,9-octadecenyl dihydrogen phosphate,octadec-9-en-1-yl dihydrogen phosphate,OP(=O)(O)OCCCCCCCCC=CCCCCCCCC,OP(=O)(O)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)",C18H37O4P,,,,,,MEESPVWIOBCLJW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.130,246-359-9,24615-84-7,2-carboxyethyl acrylate,3-(acryloyloxy)propanoic acid,OC(=O)CCOC(=O)C=C,OC(=O)CCOC(=O)C=C,"InChI=1/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)",C6H8O4,,,,,,CYUZOYPRAQASLN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.089,248-514-6,27538-10-9,2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one,2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one,CCC1OC(=C(O)C1=O)C,CCC1OC(=C(O)C1=O)C,"InChI=1/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3",C7H10O3,,,,,,GWCRPYGYVRXVLI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.095,248-520-9,27550-73-8,Chloromethyl methacrylate,chloromethyl methacrylate,CC(=C)C(=O)OCCl,CC(=C)C(=O)OCCl,"InChI=1/C5H7ClO2/c1-4(2)5(7)8-3-6/h1,3H2,2H3",C5H7ClO2,,,,,,JNNKWUPPLJTSSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.113,248-540-8,27578-60-5,N-(2-aminoethyl)piperidine,2-piperidin-1-ylethanamine,NCCN1CCCCC1,NCCN1CCCCC1,InChI=1/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2,C7H16N2,,,,,,CJNRGSHEMCMUOE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.121,248-549-7,27589-33-9,Azosemide,2-chloro-5-(1H-tetrazol-5-yl)-4-[(2-thienylmethyl)amino]benzenesulfonamide,NS(=O)(=O)c1cc(c(NCc2cccs2)cc1Cl)c3nnn[nH]3,NS(=O)(=O)c1cc(c(NCc2cccs2)cc1Cl)c3nnn[nH]3,"InChI=1/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)",C12H11ClN6O2S2,,,,,,HMEDEBAJARCKCT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.123,248-551-8,27593-14-2,(carboxylatomethyl)di(methyl)octylammonium,[dimethyl(octyl)ammonio]acetate,CCCCCCCC[N+](C)(C)CC(=O)[O-],CCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1/C12H25NO2/c1-4-5-6-7-8-9-10-13(2,3)11-12(14)15/h4-11H2,1-3H3",C12H25NO2,,,,,,YPUUGRMTUUCONZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.124,248-552-3,27593-23-3,6-pentyl-2H-pyran-2-one,6-pentyl-2H-pyran-2-one,CCCCCC1=CC=CC(=O)O1,CCCCCC1=CC=CC(=O)O1,"InChI=1/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3",C10H14O2,,,,,,MAUFTTLGOUBZNA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.004,249-520-1,29214-81-1,"1,3-(diisobutyl)thiourea","1,3-diisobutylthiourea",CC(C)CNC(=S)NCC(C)C,CC(C)CNC(=S)NCC(C)C,"InChI=1/C9H20N2S/c1-7(2)5-10-9(12)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H2,10,11,12)",C9H20N2S,,,,,,YFIXICPADGNMGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.812,244-910-8,22323-82-6,"(S)-2,2-dimethyl-1,3-dioxolane-4-methanol","(2,2-dimethyl-1,3-dioxolan-4-yl)methanol",CC1(C)OC[C@H](CO)O1,CC1(C)OC[C@H](CO)O1,"InChI=1/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,RNVYQYLELCKWAN-YFKPBYRVSA-N,,,,,,,,,,,
100.040.813,244-911-3,22325-27-5,"4,6-dimethylpyrimidine-2-thione","4,6-dimethylpyrimidine-2(1H)-thione",CC=1\\C=C(\\C)NC(=S)N=1,CC=1\C=C(\C)NC(=S)N=1,"InChI=1/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)",C6H8N2S,,,,,,RAFAYWADRVMWFA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.816,244-915-5,22330-42-3,"6,7-dimethoxy-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione","6,7-dimethoxy-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione",COc1ccc2C(=O)N(C)C(=O)c3ccc(OC)c1c23,COc1ccc2C(=O)N(C)C(=O)c3ccc(OC)c1c23,"InChI=1/C15H13NO4/c1-16-14(17)8-4-6-10(19-2)13-11(20-3)7-5-9(12(8)13)15(16)18/h4-7H,1-3H3",C15H13NO4,,,,,,GWQIRICPSOISHC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.817,244-916-0,22330-48-9,"6,7-diethoxy-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione","6,7-diethoxy-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione",CCOc1ccc2C(=O)N(C)C(=O)c3ccc(OCC)c1c23,CCOc1ccc2C(=O)N(C)C(=O)c3ccc(OCC)c1c23,"InChI=1/C17H17NO4/c1-4-21-12-8-6-10-14-11(17(20)18(3)16(10)19)7-9-13(15(12)14)22-5-2/h6-9H,4-5H2,1-3H3",C17H17NO4,,,,,,RTCBXWGDLADPJL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.822,244-921-8,22340-01-8,Dodecylbis(2-hydroxyethyl)methylammonium chloride,"N,N-bis(2-hydroxyethyl)-N-methyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(CCO)CCO,[Cl-].CCCCCCCCCCCC[N+](C)(CCO)CCO,"InChI=1/C17H38NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20;/h19-20H,3-17H2,1-2H3;1H/q+1;/p-1",C17H38NO2.Cl,,,,,,YBRQEOLOGGLDGM-UHFFFAOYSA-M,,,,,,,,,,,
100.040.826,244-926-5,22346-75-4,4-pyridylmethanol N-oxide,(1-oxidopyridin-4-yl)methanol,OCc1ccn(=O)cc1,OCc1ccn(=O)cc1,"InChI=1/C6H7NO2/c8-5-6-1-3-7(9)4-2-6/h1-4,8H,5H2",C6H7NO2,,,,,,ZJGXPKKVSNSGRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.044,247-364-9,25954-44-3,O-ß-D-glucopyranosyl-(1<U+2192>6)-ß-D-fructofuranosyl-a-D-glucopyranoside,hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranoside,OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2",C18H32O16,,,,,,MUPFEKGTMRGPLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.045,247-365-4,25955-03-7,"Bufa-4,20,22-trienolide, 3-[(6-deoxy-a-l-mannopyranosyl)oxy]-14-hydroxy-19-oxo-, (3ß)-","3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-19-oxobufa-4,20,22-trienolide",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C30H40O9/c1-16-24(33)25(34)26(35)27(38-16)39-19-7-11-29(15-31)18(13-19)4-5-22-21(29)8-10-28(2)20(9-12-30(22,28)36)17-3-6-23(32)37-14-17/h3,6,13-16,19-22,24-27,33-36H,4-5,7-12H2,1-2H3",C30H40O9,,,,,,KRRRXGPOQIUVMH-QEOBHVBUSA-N,,,,,,,,,,,
100.043.048,247-369-6,25956-35-8,"1-amino-4-[(3-amino-2-methyl-5-sulphophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(3-amino-2-methyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1c(N)cc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)S(=O)(=O)O,Cc1c(N)cc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C21H17N3O8S2/c1-9-13(22)6-10(33(27,28)29)7-14(9)24-15-8-16(34(30,31)32)19(23)18-17(15)20(25)11-4-2-3-5-12(11)21(18)26/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32)",C21H17N3O8S2,,,,,,QESOMBMPKAMMLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.049,247-370-1,25959-70-0,"N-(2-hydroxyethyl)-2,3-xylenesulphonamide","N-(2-hydroxyethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide",Cc1cc(cc(c1C)S(=O)(=O)NCCO)N(=O)=O,Cc1cc(cc(c1C)S(=O)(=O)NCCO)N(=O)=O,"InChI=1/C10H14N2O5S/c1-7-5-9(12(14)15)6-10(8(7)2)18(16,17)11-3-4-13/h5-6,11,13H,3-4H2,1-2H3",C10H14N2O5S,,,,,,MIBWEBONCRNTAY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.050,247-371-7,25961-11-9,"5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine","5-acetyl-3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine",CC(=O)N1c2ccccc2CCc3ccc(Cl)cc13,CC(=O)N1c2ccccc2CCc3ccc(Cl)cc13,"InChI=1/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3",C16H14ClNO,,,,,,NMZOSOMVILZBJL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.056,247-378-5,25963-47-7,4-[(4-aminophenyl)sulphonyl]phenol,4-[(4-aminophenyl)sulfonyl]phenol,Nc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,Nc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,"InChI=1/C12H11NO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H,13H2",C12H11NO3S,,,,,,PSHPCZGANRRQDN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.058,247-380-6,25966-39-6,Alpha-bromo-<U+03B3>-valerolactone,3-bromo-5-methyldihydrofuran-2(3H)-one,CC1CC(Br)C(=O)O1,CC1CC(Br)C(=O)O1,"InChI=1/C5H7BrO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3",C5H7BrO2,,,,,,FLOKBGAYTGLYGR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.138,244-169-0,21049-70-7,"2-(methylamino)ethanol, compound with sulphur dioxide",2-(methylamino)ethanol - oxosulfane oxide (1:1),CNCCO.O=S=O,CNCCO.O=S=O,"InChI=1/C3H9NO.O2S/c1-4-2-3-5;1-3-2/h4-5H,2-3H2,1H3;",C3H9NO.xO2S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11612,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.138,VWJYMLGDDUTABU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.140,244-171-1,21050-95-3,1-chloro-1H-benzotriazole,1-chloro-1H-benzotriazole,Cln1nnc2ccccc12,Cln1nnc2ccccc12,InChI=1/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,C6H4ClN3,,,,,,INOGLHRUEYDAHX-UHFFFAOYSA-N,Positive/Negative,AU405501|AU405502|AU405503|AU405504;EQ369401|EQ369402|EQ369403|EQ369404|EQ369405|EQ369406|EQ369407|EQ369408|EQ369409,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,154.0169:156.0138:155.0191|154.0168:156.0135:126.01|154.0166:156.0146:126.0099|154.0175:119.0463;154.0166:126.0105:90.0338|154.0166:126.0105:90.0338|154.0166:98.9996:90.0339|154.0166:98.9996:90.0339|98.9996:154.0166:90.0339|98.9996:90.0339:154.0167|72.9839:98.9996:63.0229|72.9839:63.0229:98.9996|72.9839:63.0229:62.0151,Athens_Univ;Eawag,AU405551|AU405552|AU405553;EQ369451|EQ369452|EQ369453|EQ369454|EQ369455|EQ369456|EQ369457|EQ369458|EQ369459,[M-H]-;[M-H]-,CID10|CID20|CID30;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,152:153.9968:153.0037|152.0003:153.9981:153.0042|151.9994;152.0021:88.0192:116.0255|152.002:88.0192:116.0256|152.0021:88.0193:116.0255|152.0021:88.0192:116.0255|152.0021:88.0192:116.0255|88.0193:152.0022:116.0255|88.0193:152.0021:116.0255|88.0192:50.0035:61.0084|50.0036:61.0084:88.0192,Athens_Univ;Eawag
100.040.150,244-182-1,21056-98-4,Calcium hydrogen phosphonate,calcium phosphonate,[Ca+2].[O-]P(=O)[O-],[Ca+2].[O-]P(=O)[O-],"InChI=1/Ca.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3)/q+2;/p-2",Ca.H3O3P,,,,,,OMAAXMJMHFXYFY-UHFFFAOYSA-L,,,,,,,,,,,
100.040.155,244-187-9,21063-40-1,Methyl 2-oxogluconate,methyl D-fructosonate,COC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO,COC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-5,8-11H,2H2,1H3",C7H12O7,,,,,,KPHIBLNUVRGOGU-WDCZJNDASA-N,,,,,,,,,,,
100.040.156,244-188-4,21063-71-8,Methyl (Z)-oct-4-enoate,methyl oct-4-enoate,CCC\\C=C/CCC(=O)OC,CCC\C=C/CCC(=O)OC,"InChI=1/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,SSPBQLGVUAXSMH-WAYWQWQTSA-N,,,,,,,,,,,
100.040.157,244-190-5,21064-19-7,"1,5,9-trimethylcyclododeca-1,5,9-triene","1,5,9-trimethylcyclododeca-1,5,9-triene",C\\C\\1=C/CCC(=CCC\\C(=C\\CC1)\\C)C,C\C\1=C/CCC(=CCC\C(=C\CC1)\C)C,"InChI=1/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3",C15H24,,,,,,XOTMHDVYZZBKEJ-ONARCJLQSA-N,,,,,,,,,,,
100.040.171,244-205-5,21086-65-7,"4,5-dimethoxy-o-benzoquinone","4,5-dimethoxy-1,2-benzoquinone",COC1=CC(=O)C(=O)C=C1OC,COC1=CC(=O)C(=O)C=C1OC,"InChI=1/C8H8O4/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3",C8H8O4,,,,,,DCNHYWSNHGOKHN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.174,244-208-1,21087-03-6,"DL-aspartic acid, compound with L-lysine (1:1)",L-aspartic acid - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C6H14N2O2.C4H7NO4/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)",C6H14N2O2.xC4H7NO4,,,,,,CPYVQXAASIFAMD-KNIFDHDWSA-N,,,,,,,,,,,
100.040.798,244-894-2,22288-43-3,"1,1,3,3-tetramethylbutyl 2-ethylperoxyhexanoate","1,1,3,3-tetramethylbutyl 2-(ethylperoxy)hexanoate",CCCCC(OOCC)C(=O)OC(C)(C)CC(C)(C)C,CCCCC(OOCC)C(=O)OC(C)(C)CC(C)(C)C,"InChI=1/C16H32O4/c1-8-10-11-13(20-18-9-2)14(17)19-16(6,7)12-15(3,4)5/h13H,8-12H2,1-7H3",C16H32O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12517,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.798,JALYZZAHPLEJFO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.800,244-896-3,22297-70-7,"Sodium 9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate","sodium 1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Oc1cc(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],[Na+].Oc1cc(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H8O7S.Na/c15-8-5-9(22(19,20)21)14(18)11-10(8)12(16)6-3-1-2-4-7(6)13(11)17;/h1-5,15,18H,(H,19,20,21);/q;+1/p-1",C14H8O7S.Na,,,,,,UCUKLRSMQAODEF-UHFFFAOYSA-M,,,,,,,,,,,
100.040.801,244-897-9,22298-29-9,Betamethasone 17-benzoate,"9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5ccccc5)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5ccccc5)C(=O)CO,"InChI=1/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3",C29H33FO6,,,,,,SOQJPQZCPBDOMF-YCUXZELOSA-N,,,,,,,,,,,
100.040.806,244-904-5,22306-37-2,Bismuth triacetate,bismuth(3+) triacetate,[BiH3+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[BiH3+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Bi.3H/c3*1-2(3)4;;;;/h3*1H3,(H,3,4);;;;/q;;;+3;;;/p-3/r3C2H4O2.BiH3/c3*1-2(3)4;/h3*1H3,(H,3,4);1H3/q;;;+3/p-3",C2H4O2.1/3Bi,,,,,,QZBZIDHBPJUOPQ-UHFFFAOYSA-K,,,,,,,,,,,
100.040.808,244-906-6,22313-62-8,tert-butyl 2-methylperbenzoate,tert-butyl 2-methylbenzenecarboperoxoate,Cc1ccccc1C(=O)OOC(C)(C)C,Cc1ccccc1C(=O)OOC(C)(C)C,"InChI=1/C12H16O3/c1-9-7-5-6-8-10(9)11(13)14-15-12(2,3)4/h5-8H,1-4H3",C12H16O3,,,,,,GBQWKOINWFTDGY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.815,244-913-4,22330-18-3,Potassium triiodomercurate(1-),potassium triiodomercurate(1-),[K+].I[Hg-](I)I,[K+].I[Hg-](I)I,InChI=1/Hg.3HI.K/h;3*1H;/q+2;;;;+1/p-3/rHgI3.K/c2-1(3)4;/q-1;+1,HgI3.K,,,,,,VFWHGZWRMXRJRV-UHFFFAOYSA-K,,,,,,,,,,,
100.040.819,244-918-1,22332-20-3,(4-chlorohydroxyphenyl)ammonium hydrogen sulphate,4-chloro-2-hydroxyanilinium hydrogen sulfate,[NH3+]c1ccc(Cl)cc1O.[O-]S(=O)(=O)[O-],[NH3+]c1ccc(Cl)cc1O.[O-]S(=O)(=O)[O-],"InChI=1/C6H6ClNO.H2O4S/c7-4-1-2-5(8)6(9)3-4;1-5(2,3)4/h1-3,9H,8H2;(H2,1,2,3,4)/p-1",C6H6ClNO4S,,,,,,AGNCRLGBUWDKSJ-UHFFFAOYSA-M,,,,,,,,,,,
100.040.824,244-923-9,22346-07-2,a-(2-methylpropylidene)pyridine-2-acetonitrile,4-methyl-2-pyridin-2-ylpent-2-enenitrile,CC(C)C=C(C#N)c1ccccn1,CC(C)C=C(C#N)c1ccccn1,"InChI=1/C11H12N2/c1-9(2)7-10(8-12)11-5-3-4-6-13-11/h3-7,9H,1-2H3",C11H12N2,,,,,,CACVYMFWMKRDPI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.829,244-929-1,22348-97-6,Methyl 3-oxotetradecanoate,methyl 3-oxotetradecanoate,CCCCCCCCCCCC(=O)CC(=O)OC,CCCCCCCCCCCC(=O)CC(=O)OC,"InChI=1/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h3-13H2,1-2H3",C15H28O3,,,,,,DTBSXIIDKUOHEN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.833,244-933-3,22356-80-5,2-hydroxy-4-methylbenzenesulphonic acid,2-hydroxy-4-methylbenzenesulfonic acid,Cc1ccc(c(O)c1)S(=O)(=O)O,Cc1ccc(c(O)c1)S(=O)(=O)O,"InChI=1/C7H8O4S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)",C7H8O4S,,,,,,GCFPFWRHYINTRX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.413,248-870-2,28152-73-0,"(3a,14ß,16a)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylic acid","14-hydroxy-14,15-dihydroeburnamenine-14-carboxylic acid",CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@](O)(C2)C(=O)O,CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@](O)(C2)C(=O)O,"InChI=1/C20H24N2O3/c1-2-19-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(16(14)17(19)21)20(25,12-19)18(23)24/h3-4,6-7,17,25H,2,5,8-12H2,1H3,(H,23,24)",C20H24N2O3,,,,,,UXMCFEBDJVHVNH-HOJAQTOUSA-N,,,,,,,,,,,
100.044.416,248-873-9,28161-39-9,"Sodium [1R-(1a,4aß,10aa)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate","sodium abieta-8,11,13-trien-18-oate",CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C(=O)O[Na])c1,CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C(=O)O[Na])c1,"InChI=1/C20H28O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22);/q;+1/p-1",C20H28O2.Na,,,,,,ZCSNFGCDVJGPDD-UHFFFAOYSA-M,,,,,,,,,,,
100.044.417,248-874-4,28163-36-2,1-tert-butylamino-3-(o-cyclopentylphenoxy)propan-2-ol hydrochloride,1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol hydrochloride,Cl.CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,Cl.CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,"InChI=1/C18H29NO2.ClH/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;1H",C18H29NO2.ClH,,,,,,ITZWQFLTSRCDPC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.420,248-878-6,28166-06-5,4-azido-1-fluoro-2-nitrobenzene,4-azido-1-fluoro-2-nitrobenzene,[O-][N+](=O)c1cc(ccc1F)N=[N+]=[N-],[O-][N+](=O)c1cc(ccc1F)N=[N+]=[N-],InChI=1/C6H3FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H,C6H3FN4O2,,,,,,VCTBSHQJICJJFV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.632,244-711-6,22002-88-6,"2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate","2-hydroxy-3-(phosphonooxy)propyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O,"InChI=1/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)",C21H39O7P,,,,,,ZQTAMPRZFOOEEP-HZJYTTRNSA-N,,,,,,,,,,,
100.040.634,244-713-7,22005-33-0,"Piperazine-1,4-dicarbonitrile","piperazine-1,4-dicarbonitrile",N#CN1CCN(CC1)C#N,N#CN1CCN(CC1)C#N,InChI=1/C6H8N4/c7-5-9-1-2-10(6-8)4-3-9/h1-4H2,C6H8N4,,,,,,LYNGZIQNNXHQLV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.637,244-716-3,22007-58-5,2-methylpropylene diacetate,"2-methylpropane-1,2-diyl diacetate",CC(=O)OCC(C)(C)OC(=O)C,CC(=O)OCC(C)(C)OC(=O)C,"InChI=1/C8H14O4/c1-6(9)11-5-8(3,4)12-7(2)10/h5H2,1-4H3",C8H14O4,,,,,,YXNVQGOUNCUZKH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.638,244-717-9,22009-37-6,"3,4-dihydro-7-methylnaphthalen-1(2H)-one","7-methyl-3,4-dihydronaphthalen-1(2H)-one",Cc1ccc2CCCC(=O)c2c1,Cc1ccc2CCCC(=O)c2c1,"InChI=1/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7H,2-4H2,1H3",C11H12O,,,,,,GGMYZZBVIWUXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.640,244-720-5,22014-48-8,Ethyl 4-(methylthio)butyrate,ethyl 4-(methylsulfanyl)butanoate,CCOC(=O)CCCSC,CCOC(=O)CCCSC,"InChI=1/C7H14O2S/c1-3-9-7(8)5-4-6-10-2/h3-6H2,1-2H3",C7H14O2S,,,,,,QNLREUZIHJHXRK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.646,244-726-8,22023-23-0,"N-[3-(tridecyloxy)propyl]propane-1,3-diamine","N-[3-(tridecyloxy)propyl]propane-1,3-diamine",CCCCCCCCCCCCCOCCCNCCCN,CCCCCCCCCCCCCOCCCNCCCN,"InChI=1/C19H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-22-19-14-17-21-16-13-15-20/h21H,2-20H2,1H3",C19H42N2O,,,,,,GKZAXVVXQZKVLY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.598,246-873-3,25339-99-5,Sucrose laurate,3-O-dodecanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside,CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C24H44O12/c1-2-3-4-5-6-7-8-9-10-11-17(28)34-22-19(30)16(13-26)35-24(22,14-27)36-23-21(32)20(31)18(29)15(12-25)33-23/h15-16,18-23,25-27,29-32H,2-14H2,1H3",C24H44O12,,,,,,LWWGGBKZJAKEMX-VQXBOQCVSA-N,,,,,,,,,,,
100.042.601,246-877-5,25343-91-3,"4-methylthiomorpholine 1,1-dioxide","4-methylthiomorpholine 1,1-dioxide",CN1CCS(=O)(=O)CC1,CN1CCS(=O)(=O)CC1,"InChI=1/C5H11NO2S/c1-6-2-4-9(7,8)5-3-6/h2-5H2,1H3",C5H11NO2S,,,,,,ULZCOWMSBOJCLT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.602,246-878-0,25346-31-0,3-bromo-3-methylpentane,3-bromo-3-methylpentane,CCC(C)(Br)CC,CCC(C)(Br)CC,"InChI=1/C6H13Br/c1-4-6(3,7)5-2/h4-5H2,1-3H3",C6H13Br,,,,,,ZRPQYKLJSOLRPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.609,246-885-9,25354-97-6,2-hexyldecanoic acid,2-hexyldecanoic acid,CCCCCCCCC(CCCCCC)C(=O)O,CCCCCCCCC(CCCCCC)C(=O)O,"InChI=1/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)",C16H32O2,,,,,,JMOLZNNXZPAGBH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.614,246-891-1,25358-54-7,Sodium benzylnaphthalene-1-sulphonate,sodium 2-benzylnaphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c1c(Cc2ccccc2)ccc3ccccc13,[Na+].[O-]S(=O)(=O)c1c(Cc2ccccc2)ccc3ccccc13,"InChI=1/C17H14O3S.Na/c18-21(19,20)17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17;/h1-11H,12H2,(H,18,19,20);/q;+1/p-1",C17H14O3S.Na,,,,,,CMEJNMBQFJCFIM-UHFFFAOYSA-M,,,,,,,,,,,
100.042.624,246-903-5,25369-78-2,"5-chloro-1,3-dihydro-2H-benzimidazole-2-thione","5-chloro-1,3-dihydro-2H-benzimidazole-2-thione",Clc1ccc2NC(=S)Nc2c1,Clc1ccc2NC(=S)Nc2c1,"InChI=1/C7H5ClN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)",C7H5ClN2S,,,,,,ZZIHEYOZBRPWMB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.250,248-692-5,27848-80-2,Lithium (S)-lactate,lithium 2-hydroxypropanoate,[Li+].C[C@H](O)C(=O)[O-],[Li+].C[C@H](O)C(=O)[O-],"InChI=1/C3H6O3.Li/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",C3H6O3.Li,,,,,,GKQWYZBANWAFMQ-DKWTVANSSA-M,,,,,,,,,,,
100.044.251,248-693-0,27848-81-3,Lithium D-(-)-lactate,lithium 2-hydroxypropanoate,[Li+].CC(O)C(=O)[O-],[Li+].CC(O)C(=O)[O-],"InChI=1/C3H6O3.Li/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",C3H6O3.Li,,,,,,GKQWYZBANWAFMQ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.254,248-696-7,27858-07-7,Tetrabromo(tetrabromophenyl)benzene,"2,2',3,3',4,4',5,5'-octabromobiphenyl",Brc1cc(c(Br)c(Br)c1Br)c2cc(Br)c(Br)c(Br)c2Br,Brc1cc(c(Br)c(Br)c1Br)c2cc(Br)c(Br)c(Br)c2Br,InChI=1/C12H2Br8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H,C12H2Br8,,,,,,HHYHNDNRLUQCEG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.256,248-698-8,27859-58-1,(tetrapropenyl)succinic acid,2-decylsuccinic acid,OC(=O)C(CCCCCCCCCC)CC(O)=O,OC(=O)C(CCCCCCCCCC)CC(O)=O,"InChI=1/C14H26O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)",C16H28O4,,,,,,WSFYPFLCEFLXOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.262,248-704-9,27871-49-4,Methyl (S)-(-)-lactate,methyl 2-hydroxypropanoate,COC(=O)[C@H](C)O,COC(=O)[C@H](C)O,"InChI=1/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3",C4H8O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5576,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.262,LPEKGGXMPWTOCB-VKHMYHEASA-N,,,,,,,,,,,
100.044.269,248-712-2,27886-13-1,1-chloro-3-(octadecyloxy)propan-2-ol,1-chloro-3-(octadecyloxy)propan-2-ol,CCCCCCCCCCCCCCCCCCOCC(O)CCl,CCCCCCCCCCCCCCCCCCOCC(O)CCl,"InChI=1/C21H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21,23H,2-20H2,1H3",C21H43ClO2,,,,,,QHHAXEWGDRYRCY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.415,248-872-3,28159-98-0,"N'-tert-butyl-N-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine","N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CSc1nc(NC2CC2)nc(NC(C)(C)C)n1,CSc1nc(NC2CC2)nc(NC(C)(C)C)n1,"InChI=1/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)",C11H19N5S,,,,,,HDHLIWCXDDZUFH-UHFFFAOYSA-N,Positive,AU400801|AU400802|AU400803|AU400804|AU400805;SM879801;EA030201|EA030202|EA030203|EA030204|EA030205|EA030206|EA030207|EA030208|EA030209|EA030210|EA030211|EA030212|EA030213|EA030214;UF403401|UF403402|UF403403|UF403404,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,254.1437:255.1457:198.0802|198.0807:254.1437:199.826|198.0807:199.0807:156.058|198.0807:156.0581:150.0763|156.0582:150.0759:198.0807;198.0809:254.1435:91.0325;198.0809:74.0056:183.057|254.1435:198.083|254.1432:198.0807|198.0808:254.144:91.0324|198.0808:91.0324:108.0556|198.0804:108.0555:91.0324|108.0556:83.0604:74.0059|254.1433:198.0805|254.1434:198.0808|198.0807:254.1433:91.0324|198.0807:91.0324:83.0603|198.0806:91.0324:108.0556|108.0556:83.0603:68.0243|198.0808;198.0807:91.0324:108.0556|108.0555:83.0603:91.0323|198.0805|198.0806,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.044.419,248-877-0,28164-92-3,Triethylammonium fumarate (2:1),"bis(N,N-diethylethanaminium) but-2-enedioate",CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]C(=O)\\C=C\\C(=O)[O-],CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/2C6H15N.C4H4O4/c2*1-4-7(5-2)6-3;5-3(6)1-2-4(7)8/h2*4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C6H15N.1/2C4H4O4,,,,,,PNFDNSSZPUGEPI-WXXKFALUSA-N,,,,,,,,,,,
100.044.428,248-887-5,28179-44-4,Ioxitalamic acid,"3-acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid",CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I,CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I,"InChI=1/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)",C12H11I3N2O5,,,,,,OLAOYPRJVHUHCF-UHFFFAOYSA-N,Positive,EA034201|EA034202|EA034203|EA034204|EA034205|EA034206|EA034207|EA034208|EA034209|EA034210|EA034211|EA034212|EA034213|EA034214,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,583.7347:516.8755:498.8642|583.7363:455.8222:428.8371|301.9312:272.9282:455.8229|301.9311:273.9362:455.8227|301.9312:273.9363:257.9411|273.936:301.9307:257.9413|105.0209:273.9369:131.0368|583.7353:455.8225:428.8352|301.9311:272.9282:455.8228|301.931:273.936:455.8218|301.9311:273.9361:257.9413|301.9311:273.936:231.9255|105.021:273.9364:257.941|583.7346:516.875:498.8647,Eawag,,,,,
100.044.429,248-888-0,28181-92-2,"1,3-dihydro-1,3-dioxoisobenzofuran-4-sulphonic acid","1,3-dioxo-1,3-dihydro-2-benzofuran-4-sulfonic acid",OS(=O)(=O)c1cccc2C(=O)OC(=O)c12,OS(=O)(=O)c1cccc2C(=O)OC(=O)c12,"InChI=1/C8H4O6S/c9-7-4-2-1-3-5(15(11,12)13)6(4)8(10)14-7/h1-3H,(H,11,12,13)",C8H4O6S,,,,,,IAZFBDCXIGRJLS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.437,248-896-4,28202-30-4,"a,a,ß,ß-tetrafluoro-2-methyl-4-nitrophenetole","2-methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene",Cc1cc(ccc1OC(F)(F)C(F)F)[N+](=O)[O-],Cc1cc(ccc1OC(F)(F)C(F)F)[N+](=O)[O-],"InChI=1/C9H7F4NO3/c1-5-4-6(14(15)16)2-3-7(5)17-9(12,13)8(10)11/h2-4,8H,1H3",C9H7F4NO3,,,,,,JHPMFMSCHNLTQM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.438,248-898-5,28202-31-5,"a,a,ß,ß-tetrafluoro-o-nitrophenetole","1-nitro-2-(1,1,2,2-tetrafluoroethoxy)benzene",[O-][N+](=O)c1ccccc1OC(F)(F)C(F)F,[O-][N+](=O)c1ccccc1OC(F)(F)C(F)F,"InChI=1/C8H5F4NO3/c9-7(10)8(11,12)16-6-4-2-1-3-5(6)13(14)15/h1-4,7H",C8H5F4NO3,,,,,,NZPNQVWBJNSDMV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.439,248-899-0,28202-32-6,"a,a,ß,ß-tetrafluoro-p-nitrophenetole","1-nitro-4-(1,1,2,2-tetrafluoroethoxy)benzene",[O-][N+](=O)c1ccc(OC(F)(F)C(F)F)cc1,[O-][N+](=O)c1ccc(OC(F)(F)C(F)F)cc1,"InChI=1/C8H5F4NO3/c9-7(10)8(11,12)16-6-3-1-5(2-4-6)13(14)15/h1-4,7H",C8H5F4NO3,,,,,,VNSOCOWFQDIYTN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.440,248-900-4,28202-34-8,"o-sec-butyl-a,a,ß,ß-tetrafluorophenetole","1-sec-butyl-2-(1,1,2,2-tetrafluoroethoxy)benzene",CCC(C)c1ccccc1OC(F)(F)C(F)F,CCC(C)c1ccccc1OC(F)(F)C(F)F,"InChI=1/C12H14F4O/c1-3-8(2)9-6-4-5-7-10(9)17-12(15,16)11(13)14/h4-8,11H,3H2,1-2H3",C12H14F4O,,,,,,SMCZQFGFHZYFQG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.441,248-902-5,28213-81-2,"Methylenebis[N,N-dimethylaniline]","2,2'-methylenebis(N,N-dimethylaniline)",CN(C)c1ccccc1Cc2ccccc2N(C)C,CN(C)c1ccccc1Cc2ccccc2N(C)C,"InChI=1/C17H22N2/c1-18(2)16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)19(3)4/h5-12H,13H2,1-4H3",C17H22N2,,,,,,DTNQFFYVOVIRFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.445,248-906-7,28218-68-0,"1,4:3,6-dianhydromannitol","1,4:3,6-dianhydro-D-mannitol",O[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12,O[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12,"InChI=1/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2",C6H10O4,,,,,,KLDXJTOLSGUMSJ-KVTDHHQDSA-N,,,,,,,,,,,
100.044.450,248-911-4,28221-20-7,"[1R-(1a,2ß,5a)]-2-isopropenyl-5-methylcyclohexyl isovalerate",2-isopropyl-5-methylcyclohexyl 3-methylbutanoate,CC(C)CC(=O)OC1CC(C)CCC1C(C)C,CC(C)CC(=O)OC1CC(C)CCC1C(C)C,"InChI=1/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3",C15H28O2,,,,,,VYQSSWZYPCCBRN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.456,248-918-2,28231-58-5,L-lysine carbonate,L-lysine - carbonic acid (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)O,NCCCC[C@H](N)C(=O)O.OC(=O)O,"InChI=1/C6H14N2O2.CH2O3/c7-4-2-1-3-5(8)6(9)10;2-1(3)4/h5H,1-4,7-8H2,(H,9,10);(H2,2,3,4)",C6H14N2O2.xCH2O3,,,,,,OCHFNTLZOZPXFE-JEDNCBNOSA-N,,,,,,,,,,,
100.044.458,248-920-3,28235-14-5,Tripotassium hexabromoiridate,-,[K+].[K+].[K+].Br[Ir-2](Br)(Br)(Br)(Br)Br,[K+].[K+].[K+].Br[Ir-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.Ir.3K/h6*1H;;;;/q;;;;;;+4;3*+1/p-6/rBr6Ir.3K/c1-7(2,3,4,5)6;;;/q-2;3*+1",Br6Ir.3K,,,,,,NJFCGDKUZKZCFD-UHFFFAOYSA-H,,,,,,,,,,,
100.042.131,246-360-4,24619-05-4,"5,5'-dithiodisalicylic acid","3,3'-disulfanediylbis(6-hydroxybenzoic acid)",OC(=O)c1cc(SSc2ccc(O)c(c2)C(=O)O)ccc1O,OC(=O)c1cc(SSc2ccc(O)c(c2)C(=O)O)ccc1O,"InChI=1/C14H10O6S2/c15-11-3-1-7(5-9(11)13(17)18)21-22-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)",C14H10O6S2,,,,,,IPIOEZKHDKHTNT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.136,246-366-7,24623-24-3,6-nitroindan-1-one,6-nitroindan-1-one,[O-][N+](=O)c1ccc2CCC(=O)c2c1,[O-][N+](=O)c1ccc2CCC(=O)c2c1,"InChI=1/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2",C9H7NO3,,,,,,MLRACZPAMDFORH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.175,244-209-7,21087-64-9,Metribuzin,"4-amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one",CSC1=NN=C(C(=O)N1N)C(C)(C)C,CSC1=NN=C(C(=O)N1N)C(C)(C)C,"InChI=1/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3",C8H14N4OS,,,,,,FOXFZRUHNHCZPX-UHFFFAOYSA-N,Positive,AU313001|AU313002|AU313003|AU313004|AU313005;SM838801;EA009001|EA009002|EA009003|EA009004|EA009005|EA009006|EA009007|EA009008|EA009009|EA009010|EA009011|EA009012|EA009013|EA009014,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,215.0956:216.0983:217.0919|215.0956:187.1006:216.0983|187.1:215.095:131.0376|156.0581:131.0378:184.0531|156.0577:141.0357:140.039;215.0961:187.1011:84.0807;187.1012:186.0822:131.0274|215.0963|215.0963:187.1012:186.0819|215.0964:187.1014:186.0823|187.1012:215.0954:131.0386|187.1011:74.0059:131.0386|74.0059:59.9902:58.0399|215.0962:186.0829:187.1006|215.0962:187.1012:186.0821|215.0962:187.1013:186.0822|187.1012:215.0963:131.0386|187.1013:74.006:131.0387|74.0059:59.9902:58.0399|187.1012:186.0822:131.0274,Athens_Univ;CASMI_2016;Eawag,,,,,
100.039.770,243-764-2,20363-82-0,Methoxymethyl methacrylate,methoxymethyl methacrylate,COCOC(=O)C(=C)C,COCOC(=O)C(=C)C,"InChI=1/C6H10O3/c1-5(2)6(7)9-4-8-3/h1,4H2,2-3H3",C6H10O3,,,,,,LVQPBIMCRZQQBC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.773,243-767-9,20367-33-3,N-(2-nitro-4-propoxyphenyl)acetamide,N-(2-nitro-4-propoxyphenyl)acetamide,CCCOc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],CCCOc1ccc(NC(=O)C)c(c1)[N+](=O)[O-],"InChI=1/C11H14N2O4/c1-3-6-17-9-4-5-10(12-8(2)14)11(7-9)13(15)16/h4-5,7H,3,6H2,1-2H3,(H,12,14)",C11H14N2O4,,,,,,SCCDPJHRMIEZGA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.776,243-771-0,20371-10-2,3-[[4-[(2-bromo-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]propiononitrile,3-[{4-[(2-bromo-4-nitrophenyl)diazenyl]phenyl}(2-hydroxyethyl)amino]propanenitrile,Brc2cc(ccc2N=Nc1ccc(cc1)N(CCC#N)CCO)[N+]([O-])=O,Brc2cc(ccc2N=Nc1ccc(cc1)N(CCC#N)CCO)[N+]([O-])=O,"InChI=1/C17H16BrN5O3/c18-16-12-15(23(25)26)6-7-17(16)21-20-13-2-4-14(5-3-13)22(10-11-24)9-1-8-19/h2-7,12,24H,1,9-11H2",C17H16BrN5O3,,,,,,MJSFZNFCRPQTTB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.785,243-781-5,20389-38-2,Silver(1+) 1-phenyl-1H-tetrazole-5-thiolate,silver(1+) 1-phenyl-1H-tetrazole-5-thiolate,[Ag+].[S-]c1nnnn1c2ccccc2,[Ag+].[S-]c1nnnn1c2ccccc2,"InChI=1/C7H6N4S.Ag/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);/q;+1/p-1",C7H6N4S.Ag,,,,,,HEQSQUXNDDZIPN-UHFFFAOYSA-M,,,,,,,,,,,
100.039.787,243-783-6,20393-06-0,Bis[p-(dimethylamino)phenyl]methyl p-toluenesulphinate,bis[4-(dimethylamino)phenyl]methyl 4-methylbenzenesulfinate,CN(C)c1ccc(cc1)C(OS(=O)c2ccc(C)cc2)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)C(OS(=O)c2ccc(C)cc2)c3ccc(cc3)N(C)C,"InChI=1/C24H28N2O2S/c1-18-6-16-23(17-7-18)29(27)28-24(19-8-12-21(13-9-19)25(2)3)20-10-14-22(15-11-20)26(4)5/h6-17,24H,1-5H3",C24H28N2O2S,,,,,,PFRXVBQHUSKFSS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.788,243-784-1,20395-28-2,5-chloro-1-pentyl acetate,5-chloropentyl acetate,CC(=O)OCCCCCCl,CC(=O)OCCCCCCl,"InChI=1/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3",C7H13ClO2,,,,,,ZCYVIAZIVJNAMO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.793,243-789-9,20403-42-3,"Decanoic acid, lead salt",-,[Pb].OC(=O)CCCCCCCCC,[Pb].OC(=O)CCCCCCCCC,"InChI=1/C10H20O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10(11)12;;;/h2-9H2,1H3,(H,11,12);;;/q;+4;;/rC10H20O2.H2Pb/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);1H2/q;+4",C10H20O2.xPb,,,,,,KNHTZPJKVPEFGY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.795,243-792-5,20405-19-0,Bis(2-hydroxyethyl)ammonium 4-chloro-o-tolyloxyacetate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium (4-chloro-2-methylphenoxy)acetate,Cc1cc(Cl)ccc1OCC(=O)[O-].OCC[NH2+]CCO,Cc1cc(Cl)ccc1OCC(=O)[O-].OCC[NH2+]CCO,"InChI=1/C9H9ClO3.C4H11NO2/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;6-3-1-5-2-4-7/h2-4H,5H2,1H3,(H,11,12);5-7H,1-4H2",C9H9ClO3.C4H11NO2,,,,,,XQAVWNJMMDWIKG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.796,243-793-0,20405-30-5,"Tris(2,2,2-trichloroethyl) phosphate","tris(2,2,2-trichloroethyl) phosphate",ClC(Cl)(Cl)COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl,ClC(Cl)(Cl)COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl,"InChI=1/C6H6Cl9O4P/c7-4(8,9)1-17-20(16,18-2-5(10,11)12)19-3-6(13,14)15/h1-3H2",C6H6Cl9O4P,,,,,,ODPLNIWRFSCKKO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.797,243-794-6,20405-60-1,p-menth-8-en-2-yl acetate,5-isopropenyl-2-methylcyclohexyl acetate,CC1CCC(CC1OC(=O)C)C(=C)C,CC1CCC(CC1OC(=O)C)C(=C)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3",C12H20O2,,,,,,TUSIZTVSUSBSQI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.800,243-797-2,20407-84-5,(E)-dodec-2-en-1-al,dodec-2-enal,CCCCCCCCC\\C=C\\C=O,CCCCCCCCC\C=C\C=O,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3",C12H22O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17065,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.800,SSNZFFBDIMUILS-ZHACJKMWSA-N,,,,,,,,,,,
100.039.809,243-807-5,20421-10-7,"3,4,7a,9,10,10a-hexahydro-9-hydroxy-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione","9-hydroxy-5-methoxy-3,4,7a,9,10,10a-hexahydro-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione",COc1cc2OC3OC(O)CC3c2c4OC(=O)C5=C(CCOC5=O)c14,COc1cc2OC3OC(O)CC3c2c4OC(=O)C5=C(CCOC5=O)c14,"InChI=1/C17H14O8/c1-21-8-5-9-12(7-4-10(18)24-17(7)23-9)14-11(8)6-2-3-22-15(19)13(6)16(20)25-14/h5,7,10,17-18H,2-4H2,1H3",C17H14O8,,,,,,PHYKMMVEUJESOM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.397,247-753-3,26509-72-8,"(Z)-3,7-dimethylocta-3,6-dienenitrile","3,7-dimethylocta-3,6-dienenitrile",CC(=CC\\C=C(\\C)/CC#N)C,CC(=CC\C=C(\C)/CC#N)C,"InChI=1/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5-6H,4,7H2,1-3H3",C10H15N,,,,,,LNWFHUTYUOYNBG-POHAHGRESA-N,,,,,,,,,,,
100.043.405,247-762-2,26533-34-6,2-methyloctan-3-ol,2-methyloctan-3-ol,CCCCCC(O)C(C)C,CCCCCC(O)C(C)C,"InChI=1/C9H20O/c1-4-5-6-7-9(10)8(2)3/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,DIVBBSLQUDHECU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.417,247-775-3,26544-20-7,Isooctyl (4-chloro-2-methylphenoxy)acetate,6-methylheptyl (4-chloro-2-methylphenoxy)acetate,CC(C)CCCCCOC(=O)COc1ccc(Cl)cc1C,CC(C)CCCCCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C17H25ClO3/c1-13(2)7-5-4-6-10-20-17(19)12-21-16-9-8-15(18)11-14(16)3/h8-9,11,13H,4-7,10,12H2,1-3H3",C17H25ClO3,,,,,,PDIYKJRLQHHRAG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.424,248-882-8,28173-59-3,"2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]ethyl phenyl carbonate","2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl phenyl carbonate",Nc1c(OCCOC(=O)Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(OCCOC(=O)Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C23H17NO7/c24-20-17(29-10-11-30-23(28)31-13-6-2-1-3-7-13)12-16(25)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h1-9,12,25H,10-11,24H2",C23H17NO7,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11449,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.424,GLLYQJVICPAIGW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.433,248-892-2,28195-00-8,2-isopropylamino-4-methylbenzonitrile,2-(isopropylamino)-4-methylbenzonitrile,CC(C)Nc1cc(C)ccc1C#N,CC(C)Nc1cc(C)ccc1C#N,"InChI=1/C11H14N2/c1-8(2)13-11-6-9(3)4-5-10(11)7-12/h4-6,8,13H,1-3H3",C11H14N2,,,,,,HVKRBGJBJXDAGA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.435,248-894-3,28198-04-1,"1,4-bis(2-bromo-4-butyl-o-toluidino)anthraquinone","1,4-bis[(6-bromo-4-butyl-6-methylcyclohexa-2,4-dien-1-yl)amino]-9,10-anthraquinone",CCCCC1=CC(C)(Br)C(Nc2ccc(NC3C=CC(=CC3(C)Br)CCCC)c4C(=O)c5ccccc5C(=O)c24)C=C1,CCCCC1=CC(C)(Br)C(Nc2ccc(NC3C=CC(=CC3(C)Br)CCCC)c4C(=O)c5ccccc5C(=O)c24)C=C1,"InChI=1/C36H40Br2N2O2/c1-5-7-11-23-15-19-29(35(3,37)21-23)39-27-17-18-28(40-30-20-16-24(12-8-6-2)22-36(30,4)38)32-31(27)33(41)25-13-9-10-14-26(25)34(32)42/h9-10,13-22,29-30,39-40H,5-8,11-12H2,1-4H3",C36H36Br2N2O2,,,,,,WBGASSOXDOMEPT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.442,248-903-0,28214-91-7,Lithium dinonylnaphthalenesulphonate,"lithium 2,3-dinonylnaphthalene-1-sulfonate",[Li+].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-],[Li+].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C28H44O3S.Li/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;+1/p-1",C28H44O3S.Li,,,,,,WTHCDEDKJUFXJG-UHFFFAOYSA-M,,,,,,,,,,,
100.044.443,248-904-6,28217-22-3,N2-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-arginine,N~2~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-arginine,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)",C18H25N5O4S,,,,,,HRBPBWKDJGGGCX-AWEZNQCLSA-N,,,,,,,,,,,
100.044.446,248-907-2,28219-60-5,"2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol","2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol",CC(CO)=CCC1C\\C=C(\\C)C1(C)C,CC(CO)=CCC1C\C=C(\C)C1(C)C,"InChI=1/C13H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,12,14H,7-9H2,1-4H3",C13H22O,,,,,,MTVBNJVZZAQKRV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.448,248-909-3,28219-62-7,"5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-ol","5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol",CC(O)C=CCC1C\\C=C(\\C)C1(C)C,CC(O)C=CCC1C\C=C(\C)C1(C)C,"InChI=1/C13H22O/c1-10-8-9-12(13(10,3)4)7-5-6-11(2)14/h5-6,8,11-12,14H,7,9H2,1-4H3",C13H22O,,,,,,URNLHHLCLTVYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.453,248-915-6,28228-73-1,Indolin-6-ylamine hydrochloride,indolin-6-amine hydrochloride,Cl.Nc1ccc2CCNc2c1,Cl.Nc1ccc2CCNc2c1,"InChI=1/C8H10N2.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-2,5,10H,3-4,9H2;1H",C8H10N2.2ClH,,,,,,AEQHIERKWLPMQK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.457,248-919-8,28232-53-3,3-(4-nitrophenoxy)pyridine,3-(4-nitrophenoxy)pyridine,[O-][N+](=O)c1ccc(Oc2cccnc2)cc1,[O-][N+](=O)c1ccc(Oc2cccnc2)cc1,InChI=1/C11H8N2O3/c14-13(15)9-3-5-10(6-4-9)16-11-2-1-7-12-8-11/h1-8H,C11H8N2O3,,,,,,BXRQEJKKEDDSBF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.135,246-365-1,24622-52-4,1-[2-(3-methylbutoxy)phenethyl]pyrrolidinium chloride,1-{2-[2-(3-methylbutoxy)phenyl]ethyl}pyrrolidinium chloride,[Cl-].CC(C)CCOc1ccccc1CC[NH+]2CCCC2,[Cl-].CC(C)CCOc1ccccc1CC[NH+]2CCCC2,"InChI=1/C17H27NO.ClH/c1-15(2)10-14-19-17-8-4-3-7-16(17)9-13-18-11-5-6-12-18;/h3-4,7-8,15H,5-6,9-14H2,1-2H3;1H",C17H27NO.ClH,,,,,,ORXAFIGJFPOTFS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.137,246-367-2,24623-25-4,4-nitroindan-1-one,4-nitroindan-1-one,[O-][N+](=O)c1cccc2C(=O)CCc12,[O-][N+](=O)c1cccc2C(=O)CCc12,"InChI=1/C9H7NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3H,4-5H2",C9H7NO3,,,,,,QIIWEVWPOBNGLP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.141,246-371-4,24629-25-2,2-amino-3-methylpentan-1-ol,2-amino-3-methylpentan-1-ol,CCC(C)C(N)CO,CCC(C)C(N)CO,"InChI=1/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3",C6H15NO,,,,,,VTQHAQXFSHDMHT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.143,246-374-0,24631-29-6,4-ammoniophenyl(dimethyl)ammonium oxalate,"N,N-dimethylbenzene-1,4-diaminium oxalate",C[NH+](C)c1ccc([NH3+])cc1.[O-]C(=O)C(=O)[O-],C[NH+](C)c1ccc([NH3+])cc1.[O-]C(=O)C(=O)[O-],"InChI=1/C8H12N2.C2H2O4/c1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h3-6H,9H2,1-2H3;(H,3,4)(H,5,6)",C8H12N2.C2H2O4,,,,,,KBIWNQVZKHSHTI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.147,246-378-2,24640-21-9,Ammonium nickel trichloride,ammonium nickel trichloride,[NH4+].[Cl-].[Cl-].[Cl-].[Ni+2],[NH4+].[Cl-].[Cl-].[Cl-].[Ni+2],InChI=1/3ClH.H3N.Ni/h3*1H;1H3;/q;;;;+2/p-2,Cl3Ni.H4N,,,,,,KWJHNBKJKFGGQG-UHFFFAOYSA-L,,,,,,,,,,,
100.042.148,246-379-8,24645-20-3,Hexaprofen,2-(4-cyclohexylphenyl)propanoic acid,CC(C(=O)O)c1ccc(cc1)C2CCCCC2,CC(C(=O)O)c1ccc(cc1)C2CCCCC2,"InChI=1/C15H20O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,16,17)",C15H20O2,,,,,,YTUMWOBUZOYYJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.325,244-374-5,21406-61-1,Pentyltriphenylphosphonium bromide,pentyl(triphenyl)phosphonium bromide,[Br-].CCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C23H26P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19H,2-3,13,20H2,1H3;1H/q+1;/p-1",C23H26P.Br,,,,,,VAUKWMSXUKODHR-UHFFFAOYSA-M,,,,,,,,,,,
100.040.326,244-375-0,21409-32-5,Potassium naphthalene-2-sulphonate,potassium naphthalene-2-sulfonate,[K+].[O-]S(=O)(=O)c1ccc2ccccc2c1,[K+].[O-]S(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H8O3S.K/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1",C10H8O3S.K,,,,,,NPTRNYVKKIKPFL-UHFFFAOYSA-M,,,,,,,,,,,
100.040.332,244-381-3,21423-81-4,3-chloro-p-toluonitrile,3-chloro-4-methylbenzonitrile,Cc1ccc(cc1Cl)C#N,Cc1ccc(cc1Cl)C#N,"InChI=1/C8H6ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3",C8H6ClN,,,,,,INEMHABDFCKBID-UHFFFAOYSA-N,,,,,,,,,,,
100.040.333,244-382-9,21429-42-5,"2-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate","2-[{5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}(2-hydroxyethyl)amino]ethyl acetate",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCO)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCO)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H23ClN6O9/c1-12(30)23-16-10-18(26(4-6-29)5-7-37-13(2)31)20(36-3)11-17(16)24-25-21-15(22)8-14(27(32)33)9-19(21)28(34)35/h8-11,29H,4-7H2,1-3H3,(H,23,30)",C21H23ClN6O9,,,,,,PTFFWQCVPCXSOG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.341,244-391-8,21443-96-9,1H-indazol-7-amine,2H-indazol-7-amine,Nc1cccc2c[nH]nc12,Nc1cccc2c[nH]nc12,"InChI=1/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)",C7H7N3,,,,,,OTFFCAGPSWJBDK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.352,244-403-1,21476-57-3,2-(dimethylamino)-1-[(dimethylamino)methyl]ethyl methacrylate,2-(dimethylamino)-1-[(dimethylamino)methyl]ethyl methacrylate,CN(C)CC(CN(C)C)OC(=O)C(=C)C,CN(C)CC(CN(C)C)OC(=O)C(=C)C,"InChI=1/C11H22N2O2/c1-9(2)11(14)15-10(7-12(3)4)8-13(5)6/h10H,1,7-8H2,2-6H3",C11H22N2O2,,,,,,AUBDFVCIDMEAKS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.947,248-357-3,27236-84-6,"(triphenylbuta-1,3-dienyl)benzene","1,1',1'',1'''-buta-1,3-diene-1,1,2,3-tetrayltetrabenzene",C=C(C(=C(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4,C=C(C(=C(c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C28H22/c1-22(23-14-6-2-7-15-23)27(24-16-8-3-9-17-24)28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,1H2",C28H22,,,,,,KLZOQPDGMFKODC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.950,248-361-5,27243-08-9,"2,4,8-trimethylnon-7-en-3-ol","2,4,8-trimethylnon-7-en-3-ol",CC(C)C(O)C(C)CCC=C(C)C,CC(C)C(O)C(C)CCC=C(C)C,"InChI=1/C12H24O/c1-9(2)7-6-8-11(5)12(13)10(3)4/h7,10-13H,6,8H2,1-5H3",C12H24O,,,,,,QVHCKTZIQCDTFT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.951,248-362-0,27246-81-7,3-bromophenylhydrazine hydrochloride,(3-bromophenyl)hydrazine hydrochloride,Cl.NNc1cccc(Br)c1,Cl.NNc1cccc(Br)c1,"InChI=1/C6H7BrN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H",C6H7BrN2.ClH,,,,,,RPYIPFXHIKXRKS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.953,248-364-1,27251-68-9,Pentadecene,pentadec-1-ene,CCCCCCCCCCCCCC=C,CCCCCCCCCCCCCC=C,"InChI=1/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3",C15H30,,,,,,PJLHTVIBELQURV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.963,248-375-1,27253-33-4,Calcium neodecanoate,"calcium bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)O[Ca]OC(=O)CC(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)CC(=O)O[Ca]OC(=O)CC(C)(C)CC(C)(C)C,"InChI=1/2C10H20O2.Ca/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Ca,,,,,,IKLYNVXNIGRYQC-UHFFFAOYSA-L,,,,,,,,,,,
100.043.968,248-380-9,27268-31-1,"Potassium 4-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","potassium 4-{4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[K+].CN(C)c1ccc(cc1)C=C3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,[K+].CN(C)c1ccc(cc1)C=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,"InChI=1/C19H19N3O4S.K/c1-13-18(12-14-4-6-15(7-5-14)21(2)3)19(23)22(20-13)16-8-10-17(11-9-16)27(24,25)26;/h4-12H,1-3H3,(H,24,25,26);/q;+1/p-1",C19H19N3O4S.K,,,,,,GSFOLXRTBCOVNG-UHFFFAOYSA-M,,,,,,,,,,,
100.043.970,248-383-5,27277-00-5,"2-amino-6-methyl-4-propyl-1,2,4-triazolo[1,5-a]pyrimidin-5(4H)-one","2-amino-6-methyl-4-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one",CCCN1C(=O)C(=Cn2nc(N)nc12)C,CCCN1C(=O)C(=Cn2nc(N)nc12)C,"InChI=1/C9H13N5O/c1-3-4-13-7(15)6(2)5-14-9(13)11-8(10)12-14/h5H,3-4H2,1-2H3,(H2,10,12)",C9H13N5O,,,,,,UQDVRVNMIJAGRK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.974,248-387-7,27287-73-6,"2-amino-6-methyl-1,2,4-triazolo[1,5-a]pyrimidin-5(1H)-one","2-amino-6-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one",CC1=CN2NC(=NC2=NC1=O)N,CC1=CN2NC(=NC2=NC1=O)N,"InChI=1/C6H7N5O/c1-3-2-11-6(8-4(3)12)9-5(7)10-11/h2H,1H3,(H3,7,8,9,10,12)",C6H7N5O,,,,,,PXJTYSVQFWJIMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.139,246-369-3,24625-03-4,Hexadecyl(2-hydroxyethyl)dimethylammonium chloride,"N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCO,[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCO,"InChI=1/C20H44NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20-22;/h22H,4-20H2,1-3H3;1H/q+1;/p-1",C20H44NO.Cl,,,,,,CGFLXNWWUXLUIX-UHFFFAOYSA-M,,,,,,,,,,,
100.042.140,246-370-9,24625-16-9,"Adipic acid, compound with 2-aminoethanol (1:2)",hexanedioic acid - 2-aminoethanol (1:2),NCCO.NCCO.OC(=O)CCCCC(=O)O,NCCO.NCCO.OC(=O)CCCCC(=O)O,"InChI=1/C6H10O4.2C2H7NO/c7-5(8)3-1-2-4-6(9)10;2*3-1-2-4/h1-4H2,(H,7,8)(H,9,10);2*4H,1-3H2",C6H10O4.2C2H7NO,,,,,,PHNYVRDRHAKZGK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.142,246-373-5,24629-78-5,"(1R-exo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride","1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride",Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N)C2,Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](N)C2,"InChI=1/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H",C10H19N.ClH,,,,,,XVVITZVHMWAHIG-NDYRHZEOSA-N,,,,,,,,,,,
100.042.144,246-375-6,24632-44-8,4-methylpiperazine-1-acetohydrazide,2-(4-methylpiperazin-1-yl)acetohydrazide,CN1CCN(CC(=O)NN)CC1,CN1CCN(CC(=O)NN)CC1,"InChI=1/C7H16N4O/c1-10-2-4-11(5-3-10)6-7(12)9-8/h2-6,8H2,1H3,(H,9,12)",C7H16N4O,,,,,,FNXGWGAOSHYTSX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.149,246-380-3,24645-45-2,"Bis(O,O-dibutyl dithiophosphato-S,S')zinc","zinc bis(O,O-dibutyl dithiophosphate)",CCCCOP(=S)(OCCCC)S[Zn]SP(=S)(OCCCC)OCCCC,CCCCOP(=S)(OCCCC)S[Zn]SP(=S)(OCCCC)OCCCC,"InChI=1/2C8H19O2PS2.Zn/c2*1-3-5-7-9-11(12,13)10-8-6-4-2;/h2*3-8H2,1-2H3,(H,12,13);/q;;+2/p-2/rC16H36O4P2S4Zn/c1-5-9-13-17-21(23,18-14-10-6-2)25-27-26-22(24,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3",C16H36O4P2S4Zn,,,,,,MECFLMNXIXDIOF-UHFFFAOYSA-L,,,,,,,,,,,
100.042.152,246-384-5,24649-84-1,"5-oxo-N-1H-1,2,4-triazol-3-ylpyrrolidine-2-carboxamide","5-oxo-N-4H-1,2,4-triazol-3-ylprolinamide",O=C(Nc1nnc[nH]1)C2CCC(=O)N2,O=C(Nc1nnc[nH]1)C2CCC(=O)N2,"InChI=1/C7H9N5O2/c13-5-2-1-4(10-5)6(14)11-7-8-3-9-12-7/h3-4H,1-2H2,(H,10,13)(H2,8,9,11,12,14)",C7H9N5O2,,,,,,GVDYNDLRRUIVSV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.160,246-392-9,24670-27-7,"Sulphuric acid, cerium salt",-,[Ce+3].[O-]S(=O)(=O)[O-],[Ce+3].[O-]S(=O)(=O)[O-],"InChI=1/Ce.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+3;/p-2",Ce.xH2O4S,,,,,,DWTHKOYLSJONBI-UHFFFAOYSA-L,,,,,,,,,,,
100.042.168,246-401-6,24682-74-4,"Stearic acid, compound with ethane-1,2-diamine","octadecanoic acid - ethane-1,2-diamine (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.NCCN,CCCCCCCCCCCCCCCCCC(=O)O.NCCN,"InChI=1/C18H36O2.C2H8N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2-17H2,1H3,(H,19,20);1-4H2",C18H36O2.xC2H8N2,,,,,,AGZWCTVHYPLFHY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.175,246-408-4,24687-31-8,3-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)-2-methylprop-1-enyl]benzoselenazolium bromide,"3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzoselenazol-3-ium bromide",[Br-].CC[n+]3c4ccccc4[se]c3C=C(C)C=C2[Se]c1ccccc1N2CC,[Br-].CC[n+]3c4ccccc4[se]c3C=C(C)C=C2[Se]c1ccccc1N2CC,-,C22H23N2Se2.Br,,,,,,PVWAVYOMICTLJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.176,246-410-5,24687-33-0,"2-[2-[(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-butenyl]-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium","3-(2-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]4c5c6ccccc6ccc5sc4C=C(CC)C=C3Sc2ccc1ccccc1c2N3C,[O-]S(=O)(=O)CCC[n+]4c5c6ccccc6ccc5sc4C=C(CC)C=C3Sc2ccc1ccccc1c2N3C,"InChI=1/C31H28N2O3S3/c1-3-21(19-28-32(2)30-24-11-6-4-9-22(24)13-15-26(30)37-28)20-29-33(17-8-18-39(34,35)36)31-25-12-7-5-10-23(25)14-16-27(31)38-29/h4-7,9-16,19-20H,3,8,17-18H2,1-2H3",C31H28N2O3S3,,,,,,DGXYFVIOIQPORQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.484,245-648-7,23418-38-4,4-methylnonan-4-ol,4-methylnonan-4-ol,CCCCCC(C)(O)CCC,CCCCCC(C)(O)CCC,"InChI=1/C10H22O/c1-4-6-7-9-10(3,11)8-5-2/h11H,4-9H2,1-3H3",C10H22O,,,,,,GDCOAKPWVJCNGI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.492,245-657-6,23426-63-3,Methyl 2-bromo-2-methylpropionate,methyl 2-bromo-2-methylpropanoate,COC(=O)C(C)(C)Br,COC(=O)C(C)(C)Br,"InChI=1/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3",C5H9BrO2,,,,,,PQUSVJVVRXWKDG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.494,245-659-7,23432-62-4,Methyl [3-(trimethoxysilyl)propyl]carbamate,methyl [3-(trimethoxysilyl)propyl]carbamate,COC(=O)NCCC[Si](OC)(OC)OC,COC(=O)NCCC[Si](OC)(OC)OC,"InChI=1/C8H19NO5Si/c1-11-8(10)9-6-5-7-15(12-2,13-3)14-4/h5-7H2,1-4H3,(H,9,10)",C8H19NO5Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18026,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.494,MVCSJYRFFFDKCX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.128,247-457-4,26095-59-0,Otilonium bromide,"N,N-diethyl-N-methyl-2-[(4-{[2-(octyloxy)benzoyl]amino}benzoyl)oxy]ethanaminium bromide",[Br-].CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC,[Br-].CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC,"InChI=1/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H",C29H43N2O4.Br,,,,,,VWZPIJGXYWHBOW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.130,247-460-0,26105-49-7,Rhodium(3+) acetate,rhodium(3+) triacetate,[Rh+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Rh+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Rh/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Rh,,,,,,SVOOVMQUISJERI-UHFFFAOYSA-K,,,,,,,,,,,
100.043.418,247-776-9,26544-22-9,Diisooctyl phenyl phosphite,bis(6-methylheptyl) phenyl phosphite,CC(C)CCCCCOP(OCCCCCC(C)C)Oc1ccccc1,CC(C)CCCCCOP(OCCCCCC(C)C)Oc1ccccc1,"InChI=1/C22H39O3P/c1-20(2)14-8-6-12-18-23-26(25-22-16-10-5-11-17-22)24-19-13-7-9-15-21(3)4/h5,10-11,16-17,20-21H,6-9,12-15,18-19H2,1-4H3",C22H39O3P,,,,,,GPKQLHLOONCFDY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.419,247-777-4,26544-23-0,Isodecyl diphenyl phosphite,8-methylnonyl diphenyl phosphite,CC(C)CCCCCCCOP(Oc1ccccc1)Oc2ccccc2,CC(C)CCCCCCCOP(Oc1ccccc1)Oc2ccccc2,"InChI=1/C22H31O3P/c1-20(2)14-8-4-3-5-13-19-23-26(24-21-15-9-6-10-16-21)25-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3",C22H31O3P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13763,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.419,ADRNSOYXKABLGT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.421,247-780-0,26544-34-3,7-[(2-O-D-apio-ß-D-furanosyl-ß-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,"5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 4-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1OC5OC[C@](O)(CO)[C@H]5O,OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1OC5OC[C@](O)(CO)[C@H]5O,"InChI=1/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2",C26H28O14,,,,,,FDRBRRBUPLHXEM-PUVROTEMSA-N,,,,,,,,,,,
100.043.433,247-793-1,26547-47-7,"2,2'-[ethylenebis(oxy)]bis[2-methylpropane]","2,2'-[ethane-1,2-diylbis(oxy)]bis(2-methylpropane)",CC(C)(C)OCCOC(C)(C)C,CC(C)(C)OCCOC(C)(C)C,"InChI=1/C10H22O2/c1-9(2,3)11-7-8-12-10(4,5)6/h7-8H2,1-6H3",C10H22O2,,,,,,KWGJJEBPCVMBIG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.438,247-798-9,26553-46-8,Ethyl (E)hex-3-enoate,ethyl hex-3-enoate,CCOC(=O)CC=CCC,CCOC(=O)CC=CCC,"InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3",C8H14O2,,,,,,VTSFIPHRNAESED-UHFFFAOYSA-N,,,,,,,,,,,
100.043.443,247-803-4,26560-94-1,(2-hydroxyethyl) hydrogen maleate,4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid,OCCOC(=O)\\C=C/C(=O)O,OCCOC(=O)\C=C/C(=O)O,"InChI=1/C6H8O5/c7-3-4-11-6(10)2-1-5(8)9/h1-2,7H,3-4H2,(H,8,9)",C6H8O5,,,,,,MAIIXYUYRNFKPL-UPHRSURJSA-N,,,,,,,,,,,
100.043.064,247-386-9,25979-07-1,tert-butyldichlorophosphine,tert-butylphosphonous dichloride,CC(C)(C)P(Cl)Cl,CC(C)(C)P(Cl)Cl,"InChI=1/C4H9Cl2P/c1-4(2,3)7(5)6/h1-3H3",C4H9Cl2P,,,,,,NMJASRUOIRRDSX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.066,247-389-5,25984-48-9,"N-(2-hydroxybenzoyl)glycine, compound with 2,2'-iminobis(ethanol) (1:1)","N-(2-hydroxybenzoyl)glycine - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)CNC(=O)c1ccccc1O,OCCNCCO.OC(=O)CNC(=O)c1ccccc1O,"InChI=1/C9H9NO4.C4H11NO2/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13;6-3-1-5-2-4-7/h1-4,11H,5H2,(H,10,14)(H,12,13);5-7H,1-4H2",C9H9NO4.C4H11NO2,,,,,,ROZLNCQRZMXRPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.067,247-390-0,25985-53-9,"5-[4,5-dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulphonic acid","5-[5-oxo-3-(stearoylamino)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid",CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c2ccc(Oc3ccccc3)c(c2)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c2ccc(Oc3ccccc3)c(c2)S(=O)(=O)O,"InChI=1/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41)",C33H47N3O6S,,,,,,UYEZDWWGFYJUOF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.068,247-391-6,25985-57-3,2-(2-sulphonatoethyl)isothiouronium,2-{[amino(iminio)methyl]sulfanyl}ethanesulfonate,NC(=[NH2+])SCCS(=O)(=O)[O-],NC(=[NH2+])SCCS(=O)(=O)[O-],"InChI=1/C3H8N2O3S2/c4-3(5)9-1-2-10(6,7)8/h1-2H2,(H3,4,5)(H,6,7,8)",C3H8N2O3S2,,,,,,LTHWZZOUNJCHES-UHFFFAOYSA-N,,,,,,,,,,,
100.043.075,247-398-4,25997-59-5,6-bromo-2-naphthyl-a-D-galactopyranoside,"6-[(bromooxy)methyl]-4,5-dihydroxy-3-(1-naphthyloxy)tetrahydro-2H-pyran-2-olate (non-preferred name)",O[C@H]1[C@@H](COBr)O[C@H]([O-])[C@H](Oc2cccc3ccccc23)[C@H]1O,O[C@H]1[C@@H](COBr)O[C@H]([O-])[C@H](Oc2cccc3ccccc23)[C@H]1O,"InChI=1/C16H16BrO6/c17-21-8-12-13(18)14(19)15(16(20)23-12)22-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,18-19H,8H2/q-1",C16H17BrO6,,,,,,JLFIEPGNBAAIBK-CWVYHPPDSA-N,,,,,,,,,,,
100.043.082,247-407-1,26011-83-6,"Magnesium 3-(2,4-dimethoxyphenyl)-2-butenoate","magnesium bis[3-(2,4-dimethoxyphenyl)but-2-enoate]",[Mg+2].COc1cc(ccc1C(C)=CC([O-])=O)OC.[O-]C(=O)C=C(C)c1ccc(OC)cc1OC,[Mg+2].COc1cc(ccc1C(C)=CC([O-])=O)OC.[O-]C(=O)C=C(C)c1ccc(OC)cc1OC,"InChI=1/2C12H14O4.Mg/c2*1-8(6-12(13)14)10-5-4-9(15-2)7-11(10)16-3;/h2*4-7H,1-3H3,(H,13,14);/q;;+2/p-2",C12H14O4.1/2Mg,,,,,,NRMWCJKNPLZLMY-UHFFFAOYSA-L,,,,,,,,,,,
100.043.087,247-412-9,26021-20-5,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC#N)CCO)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC#N)CCO)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H20BrN7O7/c1-12(30)23-15-10-17(26(6-7-29)5-3-4-22)19(35-2)11-16(15)24-25-20-14(21)8-13(27(31)32)9-18(20)28(33)34/h8-11,29H,3,5-7H2,1-2H3,(H,23,30)",C20H20BrN7O7,,,,,,MJEWVKATPDZNHU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.154,246-386-6,24650-42-8,"2,2-dimethoxy-1,2-diphenylethan-1-one","2,2-dimethoxy-1,2-diphenylethanone",COC(OC)(C(=O)c1ccccc1)c2ccccc2,COC(OC)(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3",C16H16O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5410,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.154,KWVGIHKZDCUPEU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.162,246-395-5,24676-13-9,"5,6-dihydro-4-oxo-4H-1,3-thiazin-2-amine monohydrochloride","2-amino-5,6-dihydro-4H-1,3-thiazin-4-one hydrochloride",Cl.NC1=NC(=O)CCS1,Cl.NC1=NC(=O)CCS1,"InChI=1/C4H6N2OS.ClH/c5-4-6-3(7)1-2-8-4;/h1-2H2,(H2,5,6,7);1H",C4H6N2OS.ClH,,,,,,DNWMZNZCWLSUGV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.164,246-397-6,24676-69-5,"Potassium 2,6-di-tert-butylphenolate","potassium 2,6-di-tert-butylphenolate",[K+].CC(C)(C)c1cccc(c1[O-])C(C)(C)C,[K+].CC(C)(C)c1cccc(c1[O-])C(C)(C)C,"InChI=1/C14H22O.K/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;/h7-9,15H,1-6H3;/q;+1/p-1",C14H22O.K,,,,,,KSMZVPIOUNBGJI-UHFFFAOYSA-M,,,,,,,,,,,
100.042.165,246-398-1,24677-78-9,"2,3-dihydroxybenzaldehyde","2,3-dihydroxybenzaldehyde",Oc1cccc(C=O)c1O,Oc1cccc(C=O)c1O,"InChI=1/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H",C7H6O3,,,,,,IXWOUPGDGMCKGT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.166,246-399-7,24678-13-5,Lenperone,4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one,Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)C(=O)c3ccc(F)cc3,Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)C(=O)c3ccc(F)cc3,"InChI=1/C22H23F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18H,1-2,11-15H2",C22H23F2NO2,,,,,,WCIBOXFOUGQLFC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.170,246-403-7,24683-26-9,"Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide","ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide",CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C,CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C,"InChI=1/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3",C12H13NO5S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6294,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.170,QWTNANUGXZEPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.171,246-404-2,24683-32-7,"Dihydro(2-methylbuta-1,3-dienyl)aluminium","(2-methylbuta-1,3-dien-1-yl)aluminum(2+)",CC(=C[Al])C=C,CC(=C[Al])C=C,"InChI=1/C5H7.Al/c1-4-5(2)3;/h2,4H,1H2,3H3;/q;+2/rC5H7Al/c1-3-5(2)4-6/h3-4H,1H2,2H3/q+2",C5H9Al,,,,,,KAQCRZGWMBEAEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.172,246-405-8,24684-03-5,2H-imidazole-2-thione,2H-imidazole-2-thione,S=C1N=CC=N1,S=C1N=CC=N1,InChI=1/C3H2N2S/c6-3-4-1-2-5-3/h1-2H,C3H2N2S,,,,,,NBGMRMDAEWWFIR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.481,245-645-0,23413-80-1,Hydroxyaluminium bis(O-acetylsalicylate),hydroxyaluminum(2+) bis(2-acetoxybenzoate),O=C(C)Oc1ccccc1C([O-])=O.[Al+2]O.[O-]C(=O)c1ccccc1OC(C)=O,O=C(C)Oc1ccccc1C([O-])=O.[Al+2]O.[O-]C(=O)c1ccccc1OC(C)=O,"InChI=1/2C9H8O4.Al.H2O/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;;/h2*2-5H,1H3,(H,11,12);;1H2/q;;+3;/p-3/r2C9H8O4.AlHO/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-2/h2*2-5H,1H3,(H,11,12);2H/q;;+2/p-2",C18H15AlO9,,,,,,MANKSFVECICGLK-UHFFFAOYSA-K,,,,,,,,,,,
100.041.487,245-651-3,23422-12-0,"Trisodium 1-amino-4-[3-[[4-chloro-6-(3-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-{[3-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3",C29H20ClN7O11S3.3Na,,,,,,ROHGQIQUQCTSOK-UHFFFAOYSA-K,,,,,,,,,,,
100.041.489,245-653-4,23422-33-5,"Methyl 7-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-3-oxo-2,4,10-trioxa-7-azaundecan-11-oate","({5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}imino)diethane-2,1-diyl dimethyl biscarbonate",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC(=O)OC)CCOC(=O)OC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC(=O)OC)CCOC(=O)OC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C23H25BrN6O12/c1-13(31)25-16-11-18(28(5-7-41-22(32)39-3)6-8-42-23(33)40-4)20(38-2)12-17(16)26-27-21-15(24)9-14(29(34)35)10-19(21)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)",C23H25BrN6O12,,,,,,CVESYTJURSOGNA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.131,247-461-6,26106-63-8,"Tetrahydrofuran-2,3,4,5-tetracarboxylic acid, mixed isomers","2,5-anhydro-3,4-dicarboxy-3,4-dideoxyhexaric acid",OC(=O)C1OC(C(C1C(=O)O)C(=O)O)C(=O)O,OC(=O)C1OC(C(C1C(=O)O)C(=O)O)C(=O)O,"InChI=1/C8H8O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)",C8H8O9,,,,,,UFOIOXZLTXNHQH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.132,247-462-1,26107-82-4,"3,5-bis(trifluoromethyl)benzohydrazide","3,5-bis(trifluoromethyl)benzohydrazide",NNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,NNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C9H6F6N2O/c10-8(11,12)5-1-4(7(18)17-16)2-6(3-5)9(13,14)15/h1-3H,16H2,(H,17,18)",C9H6F6N2O,,,,,,GBBRFBSFWKFTMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.976,248-389-8,27293-82-9,"2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butyric acid","2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butanoic acid",CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,"InChI=1/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)",C15H18I3NO3,,,,,,YMOXVLQZFAUUKI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.978,248-391-9,27299-12-3,"1,4-anhydro-D-glucitol","1,4-anhydro-D-glucitol",OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,"InChI=1/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2",C6H12O5,,,,,,JNYAEWCLZODPBN-JGWLITMVSA-N,,,,,,,,,,,
100.043.982,248-396-6,27312-18-1,"4,8-diamino-2-bromo-1,5-dihydroxyanthraquinone","4,8-diamino-2-bromo-1,5-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)cc(Br)c(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(N)cc(Br)c(O)c3C(=O)c12,"InChI=1/C14H9BrN2O4/c15-4-3-6(17)9-11(12(4)19)14(21)8-5(16)1-2-7(18)10(8)13(9)20/h1-3,18-19H,16-17H2",C14H9BrN2O4,,,,,,AIARLPIXVMHZLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.990,248-404-8,27322-34-5,Triisopropylbenzene,"1,2,3-triisopropylbenzene",CC(C)c1cccc(C(C)C)c1C(C)C,CC(C)c1cccc(C(C)C)c1C(C)C,"InChI=1/C15H24/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6/h7-12H,1-6H3",C15H24,,,,,,LGXAANYJEHLUEM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.654,244-735-7,22029-76-1,"4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol","4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol",CC1(C)CCCC(\\C)=C1\\C=CC(C)O,CC1(C)CCCC(\C)=C1\C=CC(C)O,"InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3",C13H22O,,,,,,CNOPDZWOYFOHGN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.658,244-739-9,22031-31-8,"Thiocyanic acid, compound with dodecylamine (1:1)",dodecan-1-amine thiocyanate,CCCCCCCCCCCCN.SC#N,CCCCCCCCCCCCN.SC#N,"InChI=1/C12H27N.CHNS/c1-2-3-4-5-6-7-8-9-10-11-12-13;2-1-3/h2-13H2,1H3;3H",C12H27N.CHNS,,,,,,GMZBWZSULGNNPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.662,244-744-6,22037-28-1,3-bromofuran,3-bromofuran,Brc1cocc1,Brc1cocc1,InChI=1/C4H3BrO/c5-4-1-2-6-3-4/h1-3H,C4H3BrO,,,,,,LXWLEQZDXOQZGW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.666,244-748-8,22041-24-3,Methyl pyrrolidine-1-butyrate,methyl 4-pyrrolidin-1-ylbutanoate,COC(=O)CCCN1CCCC1,COC(=O)CCCN1CCCC1,"InChI=1/C9H17NO2/c1-12-9(11)5-4-8-10-6-2-3-7-10/h2-8H2,1H3",C9H17NO2,,,,,,YUWSENDKBFKEMK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.668,244-750-9,22042-79-1,"3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde","3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde",Cc1nn(c(C)c1C=O)c2ccccc2,Cc1nn(c(C)c1C=O)c2ccccc2,"InChI=1/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3",C12H12N2O,,,,,,VOMRTQQGXWPTJK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.672,244-755-6,22049-75-8,1-(1-L-alanyl-L-prolyl)-L-proline,L-alanyl-L-prolyl-L-proline,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O,"InChI=1/C13H21N3O4/c1-8(14)11(17)15-6-2-4-9(15)12(18)16-7-3-5-10(16)13(19)20/h8-10H,2-7,14H2,1H3,(H,19,20)",C13H21N3O4,,,,,,OLVCTPPSXNRGKV-GUBZILKMSA-N,,,,,,,,,,,
100.040.678,244-761-9,22071-24-5,3-(bromomethyl)benzophenone,[3-(bromomethyl)phenyl](phenyl)methanone,BrCc1cccc(c1)C(=O)c2ccccc2,BrCc1cccc(c1)C(=O)c2ccccc2,"InChI=1/C14H11BrO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,10H2",C14H11BrO,,,,,,SZJQXQICJDHRJE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.681,244-765-0,22071-34-7,3-(bromomethyl)-2-methoxybenzophenone,[3-(bromomethyl)-2-methoxyphenyl](phenyl)methanone,COc1c(CBr)cccc1C(=O)c2ccccc2,COc1c(CBr)cccc1C(=O)c2ccccc2,"InChI=1/C15H13BrO2/c1-18-15-12(10-16)8-5-9-13(15)14(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3",C15H13BrO2,,,,,,WAXNWQKNFZDHOM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.684,244-768-7,22078-96-2,Methyl 2-[(2-oxo-2-phenylethyl)amino]benzoate,methyl 2-[(2-oxo-2-phenylethyl)amino]benzoate,COC(=O)c1ccccc1NCC(=O)c2ccccc2,COC(=O)c1ccccc1NCC(=O)c2ccccc2,"InChI=1/C16H15NO3/c1-20-16(19)13-9-5-6-10-14(13)17-11-15(18)12-7-3-2-4-8-12/h2-10,17H,11H2,1H3",C16H15NO3,,,,,,AYEXMRATZYYIQV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.693,244-778-1,22095-34-7,2-furfuryl-a-methylamine,1-(2-furyl)ethanamine,CC(N)c1occc1,CC(N)c1occc1,"InChI=1/C6H9NO/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3",C6H9NO,,,,,,JYXGCMLOKDKUAX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.271,248-714-3,27893-41-0,p-(heptyloxy)benzaldehyde,4-(heptyloxy)benzaldehyde,CCCCCCCOc1ccc(C=O)cc1,CCCCCCCOc1ccc(C=O)cc1,"InChI=1/C14H20O2/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,12H,2-6,11H2,1H3",C14H20O2,,,,,,YBCKMIZXHKVONZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.272,248-715-9,27894-50-4,Methyl N6-benzyloxycarbonyl-L-lysinate hydrochloride,methyl N~6~-[(benzyloxy)carbonyl]-L-lysinate hydrochloride,Cl.COC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1,Cl.COC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1,"InChI=1/C15H22N2O4.ClH/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19);1H",C15H22N2O4.ClH,,,,,,QPNJISLOYQGQTI-ZOWNYOTGSA-N,,,,,,,,,,,
100.044.278,248-722-7,27905-45-9,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C13H7F17O2/c1-2-5(31)32-4-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2",C13H7F17O2,,,,,,QUKRIOLKOHUUBM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.139,247-470-5,26117-28-2,N-acetyl-D-cysteine,N-acetyl-D-cysteine,CC(=O)N[C@H](CS)C(=O)O,CC(=O)N[C@H](CS)C(=O)O,"InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)",C5H9NO3S,,,,,,PWKSKIMOESPYIA-SCSAIBSYSA-N,,,,,,,,,,,
100.043.140,247-471-0,26118-61-6,Decamethylene diacetate,"decane-1,10-diyl diacetate",CC(=O)OCCCCCCCCCCOC(=O)C,CC(=O)OCCCCCCCCCCOC(=O)C,"InChI=1/C14H26O4/c1-13(15)17-11-9-7-5-3-4-6-8-10-12-18-14(2)16/h3-12H2,1-2H3",C14H26O4,,,,,,NMOLZWLFORPIME-UHFFFAOYSA-N,,,,,,,,,,,
100.043.146,247-477-3,26140-60-3,Terphenyl,"1,1':4',1''-terphenyl",c1ccc(cc1)c2ccc(cc2)c3ccccc3,c1ccc(cc1)c2ccc(cc2)c3ccccc3,InChI=1/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H,C18H14,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10393,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.146,XJKSTNDFUHDPQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.147,247-478-9,26149-52-0,"1,4:3,6-dianhydro-D-glucitol distearate","1,4:3,6-dianhydro-2,5-di-O-stearoyl-D-glucitol",CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H78O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)47-37-35-45-42-38(36-46-41(37)42)48-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3",C42H78O6,,,,,,DBYUDQKISNUIGB-FOGKZQIUSA-N,,,,,,,,,,,
100.043.148,247-479-4,26153-38-8,"3,5-dihydroxybenzaldehyde","3,5-dihydroxybenzaldehyde",Oc1cc(O)cc(C=O)c1,Oc1cc(O)cc(C=O)c1,"InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H",C7H6O3,,,,,,HAQLHRYUDBKTJG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.152,247-484-1,26158-81-6,2-[(1-oxohexadecyl)oxy]ethyl stearate,2-(palmitoyloxy)ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC,"InChI=1/C36H70O4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(38)40-34-33-39-35(37)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",C36H70O4,,,,,,ZAFVQJIDGCGDJK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.153,247-485-7,26159-31-9,(±)-2-(6-methoxy-2-naphthyl)propionic acid,2-(6-methoxy-2-naphthyl)propanoic acid,COc1ccc2cc(ccc2c1)C(C)C(=O)O,COc1ccc2cc(ccc2c1)C(C)C(=O)O,"InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)",C14H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5518,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.153,CMWTZPSULFXXJA-UHFFFAOYSA-N,Positive/Negative,SM854403;EA020201|EA020202|EA020203|EA020204|EA020205|EA020206|EA020207|EA020208|EA020209|EA020210|EA020211|EA020212|EA020213|EA020214;UF406601|UF406602|UF406603|UF406604,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,185.096:170.0725:231.1016;185.096|231.1016:185.0961|185.096:231.101|185.096:170.0725:158.0729|185.096:170.0725:154.078|170.0724:185.0961:153.0699|170.0727:154.0775:153.0699|231.1015:185.096|185.096:231.1014|185.096:158.0726:170.0725|185.0959:170.0724:153.0698|170.0724:185.0961:154.0775|170.0725:153.0698:141.0699|185.096;185.0963:170.0728:158.0728|170.0728:154.0779:153.0701|185.0963:189.1024:201.1018|185.0962:189.1024:201.1018,CASMI_2016;Eawag;UFZ,EA020251|EA020264,[M-H]-,CID35|CID35,185.0974|185.0963,Eawag
100.044.928,249-437-0,29103-59-1,N-[3-[(phenylmethyl)amino]phenyl]acetamide,N-[3-(benzylamino)phenyl]acetamide,CC(=O)Nc1cccc(NCc2ccccc2)c1,CC(=O)Nc1cccc(NCc2ccccc2)c1,"InChI=1/C15H16N2O/c1-12(18)17-15-9-5-8-14(10-15)16-11-13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,17,18)",C15H16N2O,,,,,,ZTGDAOSRFXNWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.931,249-440-7,29106-32-9,13-(cyclopent-2-enyl)tridecanoic acid,13-cyclopent-2-en-1-yltridecanoic acid,OC(=O)CCCCCCCCCCCCC1CCC=C1,OC(=O)CCCCCCCCCCCCC1CCC=C1,"InChI=1/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)",C18H32O2,,,,,,XMVQWNRDPAAMJB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.933,249-442-8,29110-47-2,Guanfacine,"N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide",NC(=N)NC(=O)Cc1c(Cl)cccc1Cl,NC(=N)NC(=O)Cc1c(Cl)cccc1Cl,"InChI=1/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)",C9H9Cl2N3O,,,,,,INJOMKTZOLKMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.937,249-447-5,29113-41-5,5-butyl-6-methyl-2-thiouracil,"5-butyl-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",CCCCC1=C(C)NC(=S)NC1=O,CCCCC1=C(C)NC(=S)NC1=O,"InChI=1/C9H14N2OS/c1-3-4-5-7-6(2)10-9(13)11-8(7)12/h3-5H2,1-2H3,(H2,10,11,12,13)",C9H14N2OS,,,,,,CTHUKFGHEPDDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.942,249-452-2,29122-69-8,"2-[4-(2,3-epoxypropoxy)phenyl]acetamide",2-[4-(oxiran-2-ylmethoxy)phenyl]acetamide,NC(=O)Cc1ccc(OCC2CO2)cc1,NC(=O)Cc1ccc(OCC2CO2)cc1,"InChI=1/C11H13NO3/c12-11(13)5-8-1-3-9(4-2-8)14-6-10-7-15-10/h1-4,10H,5-7H2,(H2,12,13)",C11H13NO3,,,,,,SOGKXLVYZZXFTN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.947,249-458-5,29127-83-1,Non-2-enenitrile,non-2-enenitrile,CCCCCCC=CC#N,CCCCCCC=CC#N,"InChI=1/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3",C9H15N,,,,,,WOVJAWMZNOWDII-UHFFFAOYSA-N,,,,,,,,,,,
100.044.957,249-469-5,29138-84-9,1-methyl-3-octylindan,1-methyl-3-octylindane,CCCCCCCCC1CC(C)c2ccccc12,CCCCCCCCC1CC(C)c2ccccc12,"InChI=1/C18H28/c1-3-4-5-6-7-8-11-16-14-15(2)17-12-9-10-13-18(16)17/h9-10,12-13,15-16H,3-8,11,14H2,1-2H3",C18H28,,,,,,TZOILYATZQCBGS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.958,249-470-0,29138-85-0,1-methyl-3-nonylindan,1-methyl-3-nonylindane,CCCCCCCCCC1CC(C)c2ccccc12,CCCCCCCCCC1CC(C)c2ccccc12,"InChI=1/C19H30/c1-3-4-5-6-7-8-9-12-17-15-16(2)18-13-10-11-14-19(17)18/h10-11,13-14,16-17H,3-9,12,15H2,1-2H3",C19H30,,,,,,OJRWTMMDPUZADW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.959,249-471-6,29144-31-8,"(S)-3,4,5,6,7,8-hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde","1-(4-methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1H)-carbaldehyde",COc1ccc(CC2N(CCC3=C2CCCC3)C=O)cc1,COc1ccc(CC2N(CCC3=C2CCCC3)C=O)cc1,"InChI=1/C18H23NO2/c1-21-16-8-6-14(7-9-16)12-18-17-5-3-2-4-15(17)10-11-19(18)13-20/h6-9,13,18H,2-5,10-12H2,1H3",C18H23NO2,,,,,,XSOPBBOEINVWML-UHFFFAOYSA-N,,,,,,,,,,,
100.043.092,247-418-1,26028-46-6,"1,3,5-triacetylhexahydro-1,3,5-triazine","1,3,5-triacetyl-1,3,5-triazinane",CC(=O)N1CN(CN(C1)C(=O)C)C(=O)C,CC(=O)N1CN(CN(C1)C(=O)C)C(=O)C,"InChI=1/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3",C9H15N3O3,,,,,,OAQRIDXOGCNRLX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.102,247-429-1,26042-64-8,Silver hexafluoroantimonate(1-),silver(1+) hexafluoroantimonate(1-),[Ag+].F[Sb-](F)(F)(F)(F)F,[Ag+].F[Sb-](F)(F)(F)(F)F,"InChI=1/Ag.6FH.Sb/h;6*1H;/q+1;;;;;;;+5/p-6/rAg.F6Sb/c;1-7(2,3,4,5)6/q+1;-1",Ag.F6Sb,,,,,,GSXFODUDOAXUBF-UHFFFAOYSA-H,,,,,,,,,,,
100.040.185,244-220-7,21120-36-5,2-fluoropropiophenone,1-(2-fluorophenyl)propan-1-one,CCC(=O)c1ccccc1F,CCC(=O)c1ccccc1F,"InChI=1/C9H9FO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3",C9H9FO,,,,,,NSNSIFGTEGKZFK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.196,244-232-2,21132-59-2,Pazoxide,"6,7-dichloro-3-cyclopent-3-en-1-yl-4H-1,2,4-benzothiadiazine 1,1-dioxide",Clc1cc2NC(=NS(=O)(=O)c2cc1Cl)C3CC=CC3,Clc1cc2NC(=NS(=O)(=O)c2cc1Cl)C3CC=CC3,"InChI=1/C12H10Cl2N2O2S/c13-8-5-10-11(6-9(8)14)19(17,18)16-12(15-10)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,15,16)",C12H10Cl2N2O2S,,,,,,NXRJFNBTRPERHV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.209,244-246-9,21151-56-4,"a,4-dichloroanisole",1-chloro-4-(chloromethoxy)benzene,ClCOc1ccc(Cl)cc1,ClCOc1ccc(Cl)cc1,"InChI=1/C7H6Cl2O/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2",C7H6Cl2O,,,,,,PJLGIZXAYTZSIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.212,244-250-0,21156-05-8,"2,2',2''-propane-1,2,3-triyltrioxytriethanol","2,2',2''-[propane-1,2,3-triyltris(oxy)]triethanol",OCCOCC(COCCO)OCCO,OCCOCC(COCCO)OCCO,"InChI=1/C9H20O6/c10-1-4-13-7-9(15-6-3-12)8-14-5-2-11/h9-12H,1-8H2",C9H20O6,,,,,,UCYLROVJSUACAD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.215,244-253-7,21161-11-5,2-nitroisophthalic acid,2-nitroisophthalic acid,OC(=O)c1cccc(C(=O)O)c1[N+](=O)[O-],OC(=O)c1cccc(C(=O)O)c1[N+](=O)[O-],"InChI=1/C8H5NO6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)",C8H5NO6,,,,,,CAHWDGJDQYAFHM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.216,244-254-2,21165-77-5,Methyl N-[4-[2-(5-chloro-2-methoxybenzamido)ethyl]benzenesulphonyl]carbamate,methyl [(4-{2-[(5-chloro-2-methoxybenzoyl)amino]ethyl}phenyl)sulfonyl]carbamate,COC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1,COC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1,"InChI=1/C18H19ClN2O6S/c1-26-16-8-5-13(19)11-15(16)17(22)20-10-9-12-3-6-14(7-4-12)28(24,25)21-18(23)27-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)",C18H19ClN2O6S,,,,,,FHUMMCKSSXULQH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.218,244-256-3,21178-63-2,Chromium trioleate,-,[Cr+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Cr+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O2.Cr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+2/p-3",C18H34O2.1/3Cr,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8168,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.218,WMSMJGZVVXAVQO-GNOQXXQHSA-K,,,,,,,,,,,
100.040.221,244-260-5,21187-98-4,Gliclazide,N-(hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl)-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,"InChI=1/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)",C15H21N3O3S,,,,,,BOVGTQGAOIONJV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.223,244-262-6,21188-60-3,Methyl 3-acetoxyhexanoate,methyl 3-acetoxyhexanoate,CCCC(CC(=O)OC)OC(=O)C,CCCC(CC(=O)OC)OC(=O)C,"InChI=1/C9H16O4/c1-4-5-8(13-7(2)10)6-9(11)12-3/h8H,4-6H2,1-3H3",C9H16O4,,,,,,ODICPWSNEYHYSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.816,243-814-3,20427-58-1,Zinc hydroxide,zinc dihydroxide,[OH-].[OH-].[Zn+2],[OH-].[OH-].[Zn+2],InChI=1/2H2O.Zn/h2*1H2;/q;;+2/p-2,H2O2Zn,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10329,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.816,UGZADUVQMDAIAO-UHFFFAOYSA-L,,,,,,,,,,,
100.039.819,243-818-5,20429-33-8,(Z)-N-[2-(2-hydroxyethoxy)ethyl]-9-octadecenamide,N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCOCCO,CCCCCCCC\C=C/CCCCCCCC(=O)NCCOCCO,"InChI=1/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)",C22H43NO3,,,,,,ULHGTPIJYDGNHZ-KTKRTIGZSA-N,,,,,,,,,,,
100.039.824,243-823-2,20441-70-7,2-butoxyethyl palmitate,2-butoxyethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCOCCCC,CCCCCCCCCCCCCCCC(=O)OCCOCCCC,"InChI=1/C22H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22(23)25-21-20-24-19-6-4-2/h3-21H2,1-2H3",C22H44O3,,,,,,QSSAKBZMXVUORV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.834,243-834-2,20455-68-9,Dibenzylamine hydrochloride,N-benzyl-1-phenylmethanamine hydrochloride,Cl.C(NCc1ccccc1)c2ccccc2,Cl.C(NCc1ccccc1)c2ccccc2,"InChI=1/C14H15N.ClH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H",C14H15N.ClH,,,,,,QEUMNQFVAMSSNS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.141,247-472-6,26118-67-2,Isopropylsulphamoyl chloride,isopropylsulfamoyl chloride,CC(C)NS(=O)(=O)Cl,CC(C)NS(=O)(=O)Cl,"InChI=1/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3",C3H8ClNO2S,,,,,,AGRDPCWQGGNEQL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.142,247-473-1,26123-91-1,"2,5-diethoxy-4-(morpholin-4-yl)benzenediazonium trichlorozincate","2,5-diethoxy-4-morpholin-4-ylbenzenediazonium trichlorozincate(1-)",CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.Cl[Zn-](Cl)Cl,CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C14H20N3O3.3ClH.Zn/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;;;;/h9-10H,3-8H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC14H20N3O3.Cl3Zn/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;1-4(2)3/h9-10H,3-8H2,1-2H3;/q+1;-1",C14H20N3O3.Cl3Zn,,,,,,MXKHMEOGXMKWQP-UHFFFAOYSA-K,,,,,,,,,,,
100.043.143,247-474-7,26127-98-0,"(E)-2,5,5-trimethylhepta-3,6-dien-2-ol","2,5,5-trimethylhepta-3,6-dien-2-ol",CC(C)(O)\\C=C\\C(C)(C)C=C,CC(C)(O)\C=C\C(C)(C)C=C,"InChI=1/C10H18O/c1-6-9(2,3)7-8-10(4,5)11/h6-8,11H,1H2,2-5H3",C10H18O,,,,,,CSMMFGCGBLZIJE-BQYQJAHWSA-N,,,,,,,,,,,
100.044.927,249-436-5,29103-58-0,N-[3-[ethyl(phenylmethyl)amino]phenyl]acetamide,N-{3-[benzyl(ethyl)amino]phenyl}acetamide,CCN(Cc1ccccc1)c2cccc(NC(=O)C)c2,CCN(Cc1ccccc1)c2cccc(NC(=O)C)c2,"InChI=1/C17H20N2O/c1-3-19(13-15-8-5-4-6-9-15)17-11-7-10-16(12-17)18-14(2)20/h4-12H,3,13H2,1-2H3,(H,18,20)",C17H20N2O,,,,,,WHILCEOUZRONTD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.930,249-439-1,29104-30-1,Benzoximate,"(3-chloro-2,6-dimethoxyphenyl)(ethoxyimino)methyl benzoate",COc1c(c(ccc1Cl)OC)C(=NOCC)OC(=O)c2ccccc2,COc1c(c(ccc1Cl)OC)C(=NOCC)OC(=O)c2ccccc2,"InChI=1/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3",C18H18ClNO5,,,,,,BZMIHNKNQJJVRO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.934,249-443-3,29110-48-3,"N-(aminoiminomethyl)-2,6-dichlorophenylacetamide monohydrochloride","N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide hydrochloride",Cl.NC(=N)NC(=O)Cc1c(Cl)cccc1Cl,Cl.NC(=N)NC(=O)Cc1c(Cl)cccc1Cl,"InChI=1/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H",C9H9Cl2N3O.ClH,,,,,,DGFYECXYGUIODH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.938,249-448-0,29116-98-1,"Sorbitan, di-9-octadecenoate, (Z,Z)-","2,5-anhydro-1,6-di-O-oleoylhexitol",CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(COC(=O)CCCCCCCC=CCCCCCCCC)C(O)C1O,CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(COC(=O)CCCCCCCC=CCCCCCCCC)C(O)C1O,"InChI=1/C42H76O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)47-35-37-41(45)42(46)38(49-37)36-48-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-42,45-46H,3-16,21-36H2,1-2H3",C42H76O7,,,,,,VVQOXAYHITXZHP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.946,249-456-4,29126-12-3,Diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,diphenylmethyl 3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,CC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3ccccc3)C2=O)C(=O)OC(c4ccccc4)c5ccccc5,CC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3ccccc3)C2=O)C(=O)OC(c4ccccc4)c5ccccc5,"InChI=1/C29H26N2O4S/c1-19-18-36-28-24(30-23(32)17-20-11-5-2-6-12-20)27(33)31(28)25(19)29(34)35-26(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)",C29H26N2O4S,,,,,,KRSQRWDTNJRUNK-CUBQBAPOSA-N,,,,,,,,,,,
100.044.948,249-459-0,29128-55-0,2-[(2-hydroxy-1-naphthyl)azo]naphthalenesulphonic acid,2-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,OS(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C20H14N2O4S/c23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26/h1-12,23H,(H,24,25,26)",C20H14N2O4S,,,,,,SRPCPRSDICCCRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.955,249-466-9,29135-85-1,"Diethyl [2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phosphonate","diethyl [2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phosphonate",CCOP(=O)(CCc1nc(N)nc(N)n1)OCC,CCOP(=O)(CCc1nc(N)nc(N)n1)OCC,"InChI=1/C9H18N5O3P/c1-3-16-18(15,17-4-2)6-5-7-12-8(10)14-9(11)13-7/h3-6H2,1-2H3,(H4,10,11,12,13,14)",C9H18N5O3P,,,,,,XNCQJPXXTGPKTK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.066,250-689-9,31543-75-6,"2,4-dibromotoluene","2,4-dibromo-1-methylbenzene",Cc1ccc(Br)cc1Br,Cc1ccc(Br)cc1Br,"InChI=1/C7H6Br2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3",C7H6Br2,,,,,,GHWYNNFPUGEYEM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.068,250-692-5,31548-27-3,Sodium neodecanoate,"sodium 3,3,5,5-tetramethylhexanoate",CC(C)(C)CC(C)(C)CC(=O)O[Na],CC(C)(C)CC(C)(C)CC(=O)O[Na],"InChI=1/C10H20O2.Na/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);/q;+1/p-1",C10H20O2.Na,,,,,,XTERQYPCWDLMBP-UHFFFAOYSA-M,,,,,,,,,,,
100.046.072,250-696-7,31556-45-3,Tridecyl stearate,tridecyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC,"InChI=1/C31H62O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h3-30H2,1-2H3",C31H62O2,,,,,,GKAVWWCJCPVMNR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.073,250-697-2,31557-34-3,"2,3,5-trichloro-6-methoxypyridine","2,3,5-trichloro-6-methoxypyridine",COc1nc(Cl)c(Cl)cc1Cl,COc1nc(Cl)c(Cl)cc1Cl,"InChI=1/C6H4Cl3NO/c1-11-6-4(8)2-3(7)5(9)10-6/h2H,1H3",C6H4Cl3NO,,,,,,RLIVUWLXZBDMBL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.281,248-725-3,27912-14-7,"(-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalene-1(2H)-one hydrochloride","5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one hydrochloride",Cl.CC(C)(C)NCC(O)COc1cccc2C(=O)CCCc12,Cl.CC(C)(C)NCC(O)COc1cccc2C(=O)CCCc12,"InChI=1/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H",C17H25NO3.ClH,,,,,,DNTDOBSIBZKFCP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.284,248-729-5,27920-25-8,(2-biphenylyloxy)methanol,(biphenyl-2-yloxy)methanol,OCOc1ccccc1c2ccccc2,OCOc1ccccc1c2ccccc2,"InChI=1/C13H12O2/c14-10-15-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14H,10H2",C13H12O2,,,,,,PRDSJPMVXYYZQU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.286,248-731-6,27923-63-3,Sucrose tristearate,"3-O-stearoyl-beta-D-fructofuranosyl 2,3-di-O-stearoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C66H124O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(70)76-62-60(73)55(52-67)75-65(63(62)77-58(71)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)80-66(54-69)64(61(74)56(53-68)79-66)78-59(72)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55-56,60-65,67-69,73-74H,4-54H2,1-3H3",C66H124O14,,,,,,OORGICIOKXRQBI-MCQPFKOBSA-N,,,,,,,,,,,
100.044.289,248-734-2,27931-06-2,Sodium 7-aminonaphthalene-1-sulphonate,sodium 7-aminonaphthalene-1-sulfonate,[Na+].Nc1ccc2cccc(c2c1)S(=O)(=O)[O-],[Na+].Nc1ccc2cccc(c2c1)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,KKELBCJRSSENSN-UHFFFAOYSA-M,,,,,,,,,,,
100.044.290,248-735-8,27931-91-5,Dimethyl (hydroxymethylene)malonate,dimethyl (hydroxymethylene)malonate,COC(=O)C(=CO)C(=O)OC,COC(=O)C(=CO)C(=O)OC,"InChI=1/C6H8O5/c1-10-5(8)4(3-7)6(9)11-2/h3,7H,1-2H3",C6H8O5,,,,,,JMHZOSZGGDSKNP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.295,248-741-0,27938-31-4,o-isononylphenol,2-(7-methyloctyl)phenol,CC(C)CCCCCCc1ccccc1O,CC(C)CCCCCCc1ccccc1O,"InChI=1/C15H24O/c1-13(2)9-5-3-4-6-10-14-11-7-8-12-15(14)16/h7-8,11-13,16H,3-6,9-10H2,1-2H3",C15H24O,,,,,,UZVAZDQMPUOHKP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.300,248-746-8,27954-37-6,"1,1-dimethyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]urea","1,1-dimethyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]urea",CN(C)C(=O)Nc1cccc(OC(F)(F)C(F)F)c1,CN(C)C(=O)Nc1cccc(OC(F)(F)C(F)F)c1,"InChI=1/C11H12F4N2O2/c1-17(2)10(18)16-7-4-3-5-8(6-7)19-11(14,15)9(12)13/h3-6,9H,1-2H3,(H,16,18)",C11H12F4N2O2,,,,,,FCAKZZMVXCLLHM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.304,248-751-5,27969-53-5,"5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-methylethylidene]-1,3-bis(2-methoxyethyl)barbituric acid","5-[2-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-1-methylethylidene]-1,3-bis(2-methoxyethyl)pyrimidine-2,4,6(1H,3H,5H)-trione",O=C\\1N(CCOC)C(=O)N(CCOC)C(=O)C/1=C(/C)C=C4Sc3ccc2ccccc2c3N4CC,O=C\1N(CCOC)C(=O)N(CCOC)C(=O)C/1=C(/C)C=C4Sc3ccc2ccccc2c3N4CC,"InChI=1/C26H29N3O5S/c1-5-27-21(35-20-11-10-18-8-6-7-9-19(18)23(20)27)16-17(2)22-24(30)28(12-14-33-3)26(32)29(25(22)31)13-15-34-4/h6-11,16H,5,12-15H2,1-4H3",C26H29N3O5S,,,,,,HLWYHLPFIFQUDD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.308,248-755-7,27981-70-0,"p-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]but-2-enylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(5-hydroxy-3-methyl-4-{1-methyl-3-[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-1H-pyrazol-1-yl)benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)n2nc(C)c(c2O)C(C)=CC=C4C(\\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O,OS(=O)(=O)c1ccc(cc1)n2nc(C)c(c2O)C(C)=CC=C4C(\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O,"InChI=1/C24H22N4O8S2/c1-14(22-16(3)26-28(24(22)30)18-7-11-20(12-8-18)38(34,35)36)4-13-21-15(2)25-27(23(21)29)17-5-9-19(10-6-17)37(31,32)33/h4-13,30H,1-3H3,(H,31,32,33)(H,34,35,36)",C24H22N4O8S2,,,,,,VARNOVZXVVZGJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.310,248-757-8,27982-34-9,"3-[m-[[2-(2,4-di-tert-pentylphenoxy)butyryl]amino]phenyl]-N-(o-methoxyphenyl)-3-oxopropionamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3-{3-[(2-methoxyphenyl)amino]-3-oxopropanoyl}phenyl)butanamide",CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cccc(c2)C(=O)CC(=O)Nc3ccccc3OC,CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cccc(c2)C(=O)CC(=O)Nc3ccccc3OC,"InChI=1/C36H46N2O5/c1-9-30(43-31-20-19-25(35(4,5)10-2)22-27(31)36(6,7)11-3)34(41)37-26-16-14-15-24(21-26)29(39)23-33(40)38-28-17-12-13-18-32(28)42-8/h12-22,30H,9-11,23H2,1-8H3,(H,37,41)(H,38,40)",C36H46N2O5,,,,,,MYERYINJLCIOKL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.363,244-415-7,21514-87-4,"Sodium ethyl 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate","sodium 2,4,5,7-tetrabromo-9-[2-(ethoxycarbonyl)phenyl]-3-oxo-3H-xanthen-6-olate",CCOC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O[Na])c(Br)cc24)Br,CCOC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O[Na])c(Br)cc24)Br,"InChI=1/C22H12Br4O5.Na/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26;/h3-8,27H,2H2,1H3;/q;+1/p-1",C22H12Br4O5.Na,,,,,,HYPSDNMOKVQICX-UHFFFAOYSA-M,,,,,,,,,,,
100.044.960,249-472-1,29147-50-0,"D-gluconic acid, compound with N,N''-bis[[(4-chlorophenyl)amino]iminomethyl]piperazin-1,4-dicarboxamidine (2:1)","N~1~,N~4~-bis[(4-chlorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide - D-gluconic acid (1:2)",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc3ccc(Cl)cc3)cc1,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc3ccc(Cl)cc3)cc1,"InChI=1/C20H24Cl2N10.2C6H12O7/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30);2*2-5,7-11H,1H2,(H,12,13)",C20H24Cl2N10.2C6H12O7,,,,,,LUGSEJXOEVFBRP-UUPCJSQJSA-N,,,,,,,,,,,
100.044.961,249-473-7,29152-54-3,Barium bis[didodecylbenzenesulphonate],"barium bis(2,3-didodecylbenzenesulfonate)",[Ba+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-],[Ba+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/2C30H54O3S.Ba/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+2/p-2",C30H54O3S.1/2Ba,,,,,,XKPXIMKPDMUIDN-UHFFFAOYSA-L,,,,,,,,,,,
100.044.970,249-483-1,29171-21-9,"3,7-dimethyloct-6-en-1-yn-3-yl acetate","1-ethynyl-1,5-dimethylhex-4-en-1-yl acetate",CC(=CCCC(C)(OC(=O)C)C#C)C,CC(=CCCC(C)(OC(=O)C)C#C)C,"InChI=1/C12H18O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h1,8H,7,9H2,2-5H3",C12H18O2,,,,,,JNVHVDDAOGRVDT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.069,250-693-0,31551-27-6,(Z)-2-methylpent-2-enenitrile,2-methylpent-2-enenitrile,CC\\C=C(\\C)/C#N,CC\C=C(\C)/C#N,"InChI=1/C6H9N/c1-3-4-6(2)5-7/h4H,3H2,1-2H3",C6H9N,,,,,,MLPZAALXVQOBFB-XQRVVYSFSA-N,,,,,,,,,,,
100.046.074,250-698-8,31558-40-4,"4-bromo-3,5-dimethoxybenzaldehyde","4-bromo-3,5-dimethoxybenzaldehyde",COc1cc(C=O)cc(OC)c1Br,COc1cc(C=O)cc(OC)c1Br,"InChI=1/C9H9BrO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3",C9H9BrO3,,,,,,UGBJRYUNSXFPOX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.075,250-699-3,31558-46-0,p-methoxybenzyl phenyl carbonate,4-methoxybenzyl phenyl carbonate,COc1ccc(COC(=O)Oc2ccccc2)cc1,COc1ccc(COC(=O)Oc2ccccc2)cc1,"InChI=1/C15H14O4/c1-17-13-9-7-12(8-10-13)11-18-15(16)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3",C15H14O4,,,,,,RMDRWXNFPZIFDS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.082,250-707-5,31567-29-0,"Terephthalic acid, monoester with propane-1,2-diol",4-[(2-hydroxypropoxy)carbonyl]benzoic acid,CC(O)COC(=O)c1ccc(cc1)C(=O)O,CC(O)COC(=O)c1ccc(cc1)C(=O)O,"InChI=1/C11H12O5/c1-7(12)6-16-11(15)9-4-2-8(3-5-9)10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)",C11H12O5,,,,,,OAJXYMDMOKNADM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.088,250-713-8,31576-00-8,(R)-1-[o-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,1-[2-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,CC(C)NC[C@@H](O)COc1ccccc1OCC=C,CC(C)NC[C@@H](O)COc1ccccc1OCC=C,"InChI=1/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",C15H23NO3,,,,,,CEMAWMOMDPGJMB-CYBMUJFWSA-N,,,,,,,,,,,
100.046.092,250-718-5,31582-45-3,"2,2,6,6-tetramethyl-4-piperidyl methacrylate","2,2,6,6-tetramethylpiperidin-4-yl methacrylate",CC(=C)C(=O)OC1CC(C)(C)NC(C)(C)C1,CC(=C)C(=O)OC1CC(C)(C)NC(C)(C)C1,"InChI=1/C13H23NO2/c1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10/h10,14H,1,7-8H2,2-6H3",C13H23NO2,,,,,,UFLXKQBCEYNCDU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.095,250-721-1,31599-32-3,5-carbamoyl-2-methoxybenzenediazonium,5-carbamoyl-2-methoxybenzenediazonium,COc1ccc(cc1[N+]#N)C(=O)N,COc1ccc(cc1[N+]#N)C(=O)N,"InChI=1/C8H7N3O2/c1-13-7-3-2-5(8(9)12)4-6(7)11-10/h2-4H,1H3,(H-,9,12)/p+1",C8H8N3O2,,,,,,YCZWPGJJYNAACC-UHFFFAOYSA-O,,,,,,,,,,,
100.046.096,250-722-7,31600-56-3,[(2-methoxyethoxy)methyl]benzene,[(2-methoxyethoxy)methyl]benzene,COCCOCc1ccccc1,COCCOCc1ccccc1,"InChI=1/C10H14O2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3",C10H14O2,,,,,,XBSQOKFFZZKPFM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.106,250-733-7,31616-66-7,"[2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium","2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium",C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,"InChI=1/C22H29N6S/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18/h7-13,16H,6,14-15H2,1-5H3/q+1",C22H29N6S,,,,,,OBOPQJVCYIBVIV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.107,250-734-2,31620-80-1,Bromoethylbenzene,(1-bromoethyl)benzene,CC(Br)c1ccccc1,CC(Br)c1ccccc1,"InChI=1/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3",C8H9Br,,,,,,CRRUGYDDEMGVDY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.818,246-015-8,24089-00-7,3-methyloct-1-en-3-ol,3-methyloct-1-en-3-ol,CCCCCC(C)(O)C=C,CCCCCC(C)(O)C=C,"InChI=1/C9H18O/c1-4-6-7-8-9(3,10)5-2/h5,10H,2,4,6-8H2,1,3H3",C9H18O,,,,,,DRKRLMZMGTWUSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.825,246-023-1,24124-03-6,Diethyl isopropylbenzyloxymalonate,diethyl (benzyloxy)(isopropyl)malonate,CCOC(=O)C(OCc1ccccc1)(C(C)C)C(=O)OCC,CCOC(=O)C(OCc1ccccc1)(C(C)C)C(=O)OCC,"InChI=1/C17H24O5/c1-5-20-15(18)17(13(3)4,16(19)21-6-2)22-12-14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3",C17H24O5,,,,,,LRMLTYOJCFBKLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.842,243-843-1,20469-61-8,"2,3,5-trimethylanisole","1-methoxy-2,3,5-trimethylbenzene",COc1cc(C)cc(C)c1C,COc1cc(C)cc(C)c1C,"InChI=1/C10H14O/c1-7-5-8(2)9(3)10(6-7)11-4/h5-6H,1-4H3",C10H14O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17973,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.842,AWONIZVBKXHWJP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.843,243-844-7,20469-71-0,"Dithiocarbazic acid, compound with hydrazine (1:1)",hydrazinecarbodithioic acid - hydrazine (1:1),NN.NNC(=S)S,NN.NNC(=S)S,"InChI=1/CH4N2S2.H4N2/c2-3-1(4)5;1-2/h2H2,(H2,3,4,5);1-2H2",CH4N2S2.H4N2,,,,,,KFHUWANHHNTMEK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.844,243-845-2,20474-93-5,Allyl 2-butenoate,allyl but-2-enoate,CC=CC(=O)OCC=C,CC=CC(=O)OCC=C,"InChI=1/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3",C7H10O2,,,,,,WNJBUWVXSNLWEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.845,243-846-8,20475-12-1,Tris(2-hydroxyethyl)ammonium lactate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 2-hydroxypropanoate",CC(O)C(=O)[O-].OCC[NH+](CCO)CCO,CC(O)C(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C6H15NO3.C3H6O3/c8-4-1-7(2-5-9)3-6-10;1-2(4)3(5)6/h8-10H,1-6H2;2,4H,1H3,(H,5,6)",C6H15NO3.C3H6O3,,,,,,RJQQOKKINHMXIM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.849,243-851-5,20491-92-3,"2,4,6-trimethoxyphenol","2,4,6-trimethoxyphenol",COc1cc(OC)c(O)c(OC)c1,COc1cc(OC)c(O)c(OC)c1,"InChI=1/C9H12O4/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5,10H,1-3H3",C9H12O4,,,,,,HSJYYLNJWGKZMD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.445,247-806-0,26562-79-8,"Ethyl 4-[[4-[[2-(acetoxy)ethoxy]carbonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate","ethyl 4-({4-[(2-acetoxyethoxy)carbonyl]phenyl}diazenyl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",CC(=O)OCCOC(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccccc2)C3=O)C(=O)OCC,CC(=O)OCCOC(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccccc2)C3=O)C(=O)OCC,"InChI=1/C23H22N4O7/c1-3-32-23(31)20-19(21(29)27(26-20)18-7-5-4-6-8-18)25-24-17-11-9-16(10-12-17)22(30)34-14-13-33-15(2)28/h4-12,19H,3,13-14H2,1-2H3",C23H22N4O7,,,,,,XRPODAJBSZLQLY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.446,247-807-6,26563-74-6,"cis-4-methyl-2-pentyl-1,3-dioxolane","4-methyl-2-pentyl-1,3-dioxolane",CCCCC[C@H]1OC[C@@H](C)O1,CCCCC[C@H]1OC[C@@H](C)O1,"InChI=1/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3",C9H18O2,,,,,,GWMSIWCZZKMUQM-BDAKNGLRSA-N,,,,,,,,,,,
100.043.447,247-808-1,26563-75-7,"trans-4-methyl-2-pentyl-1,3-dioxolane","4-methyl-2-pentyl-1,3-dioxolane",CCCCC[C@H]1OC[C@H](C)O1,CCCCC[C@H]1OC[C@H](C)O1,"InChI=1/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3",C9H18O2,,,,,,GWMSIWCZZKMUQM-IUCAKERBSA-N,,,,,,,,,,,
100.043.463,247-825-4,26586-02-7,(E)-3-formylbut-2-enyl acetate,3-methyl-4-oxobut-2-en-1-yl acetate,CC(=O)OC\\C=C(/C)\\C=O,CC(=O)OC\C=C(/C)\C=O,"InChI=1/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3",C7H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17377,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.463,LPDDKAJRWGPGSI-ZZXKWVIFSA-N,,,,,,,,,,,
100.043.469,247-832-2,26591-72-0,3-methyl-1-vinyl-1H-imidazolium methyl sulphate,"3-methyl-1-vinyl-2,3-dihydro-1H-imidazol-1-ium methyl sulfate",COS(=O)(=O)[O-].CN1C[NH+](C=C)C=C1,COS(=O)(=O)[O-].CN1C[NH+](C=C)C=C1,"InChI=1/C6H10N2.CH4O4S/c1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h3-5H,1,6H2,2H3;1H3,(H,2,3,4)",C6H9N2.CH3O4S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11722,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.469,RJFMWUISYZMHPA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.476,247-840-6,26603-40-7,"(2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-m-phenylene) isocyanate","1,3,5-tris(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione",Cc1ccc(cc1N=C=O)N2C(=O)N(C(=O)N(C2=O)c3ccc(C)c(c3)N=C=O)c4ccc(C)c(c4)N=C=O,Cc1ccc(cc1N=C=O)N2C(=O)N(C(=O)N(C2=O)c3ccc(C)c(c3)N=C=O)c4ccc(C)c(c4)N=C=O,"InChI=1/C27H18N6O6/c1-16-4-7-19(10-22(16)28-13-34)31-25(37)32(20-8-5-17(2)23(11-20)29-14-35)27(39)33(26(31)38)21-9-6-18(3)24(12-21)30-15-36/h4-12H,1-3H3",C27H18N6O6,,,,,,NEQZCEZVSYQHDT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.485,247-850-0,26616-35-3,Trimethyl(vinylbenzyl)ammonium chloride,"N,N,N-trimethyl(2-vinylphenyl)methanaminium chloride",[Cl-].C[N+](C)(C)Cc1ccccc1C=C,[Cl-].C[N+](C)(C)Cc1ccccc1C=C,"InChI=1/C12H18N.ClH/c1-5-11-8-6-7-9-12(11)10-13(2,3)4;/h5-9H,1,10H2,2-4H3;1H/q+1;/p-1",C12H18N.Cl,,,,,,WFOVBWKCHOTRAU-UHFFFAOYSA-M,,,,,,,,,,,
100.043.487,247-852-1,26628-22-8,Sodium azide,sodium azide,[Na+].[N-]=[N+]=[N-],[Na+].[N-]=[N+]=[N-],InChI=1/N3.Na/c1-3-2;/q-1;+1,N3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14174,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.487,PXIPVTKHYLBLMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.106,247-433-3,26050-64-6,"Methyl 4-bromo-3,5-dimethoxybenzoate","methyl 4-bromo-3,5-dimethoxybenzoate",COC(=O)c1cc(OC)c(Br)c(OC)c1,COC(=O)c1cc(OC)c(Br)c(OC)c1,"InChI=1/C10H11BrO4/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5H,1-3H3",C10H11BrO4,,,,,,DBPNSECLVZPWET-UHFFFAOYSA-N,,,,,,,,,,,
100.043.115,247-443-8,26077-31-6,Silver 2-ethylhexanoate,silver(1+) 2-ethylhexanoate,[Ag+].CCCCC(CC)C(=O)[O-],[Ag+].CCCCC(CC)C(=O)[O-],"InChI=1/C8H16O2.Ag/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",C8H16O2.Ag,,,,,,WXENESFPQCWDHY-UHFFFAOYSA-M,,,,,,,,,,,
100.043.116,247-444-3,26078-23-9,7-(dimethylamino)-4-methyl-2-quinolone,7-(dimethylamino)-4-methylquinolin-2(1H)-one,CN(C)c1ccc2C(=CC(=O)Nc2c1)C,CN(C)c1ccc2C(=CC(=O)Nc2c1)C,"InChI=1/C12H14N2O/c1-8-6-12(15)13-11-7-9(14(2)3)4-5-10(8)11/h4-7H,1-3H3,(H,13,15)",C12H14N2O,,,,,,LHWKOWLGYNIFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.077,250-701-2,31565-19-2,Isooctyl acetate,6-methylheptyl acetate,CC(C)CCCCCOC(=O)C,CC(C)CCCCCOC(=O)C,"InChI=1/C10H20O2/c1-9(2)7-5-4-6-8-12-10(3)11/h9H,4-8H2,1-3H3",C10H20O2,,,,,,DICUPLXUNISGAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.081,250-705-4,31566-31-1,"Stearic acid, monoester with glycerol",2-hydroxy-1-(hydroxymethyl)ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,"InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3",C21H42O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2133,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.081,YQEMORVAKMFKLG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.084,250-709-6,31570-04-4,"Tris(2,4-ditert-butylphenyl) phosphite","tris(2,4-di-tert-butylphenyl) phosphite",CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)Oc3ccc(cc3C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C,CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)Oc3ccc(cc3C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C,"InChI=1/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3",C42H63O3P,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15253,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.084,JKIJEFPNVSHHEI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.091,250-716-4,31581-32-5,"Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate","ethyl 2,4-dihydroxy-3,6-dimethylbenzoate",CCOC(=O)c1c(C)cc(O)c(C)c1O,CCOC(=O)c1c(C)cc(O)c(C)c1O,"InChI=1/C11H14O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h5,12-13H,4H2,1-3H3",C11H14O4,,,,,,VJLLNFDLMWPNBN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.097,250-723-2,31600-99-4,"4-(tert-butyl)phenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","4-tert-butylphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",CC(C)(C)c1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1,CC(C)(C)c1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1,"InChI=1/C20H18N2O4S/c1-20(2,3)13-7-9-14(10-8-13)26-27(24,25)18-6-4-5-16-15(18)11-12-17(22-21)19(16)23/h4-12H,1-3H3",C20H18N2O4S,,,,,,XPOZBIYYMBIUAO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.100,250-726-9,31605-03-5,4-diethylamino-2-ethoxybenzenediazonium zinc chloride,-,[Cl-].[Zn+2].CCOc1cc(ccc1[N+]#N)N(CC)CC,[Cl-].[Zn+2].CCOc1cc(ccc1[N+]#N)N(CC)CC,"InChI=1/C12H18N3O.ClH.Zn/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;;/h7-9H,4-6H2,1-3H3;1H;/q+1;;+2/p-1",C12H18N3O.xCl2Zn.Cl,,,,,,VXZOQWHDJGFQKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.102,250-729-5,31611-42-4,N-cyclohexyl-N-methyl-2-nitrobenzylamine monohydrochloride,N-methyl-N-(2-nitrobenzyl)cyclohexanamine hydrochloride,Cl.CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2,Cl.CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2,"InChI=1/C14H20N2O2.ClH/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16(17)18;/h5-7,10,13H,2-4,8-9,11H2,1H3;1H",C14H20N2O2.ClH,,,,,,PQFZZEBNJWAUOG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.110,250-737-9,31633-70-2,"Dimethyl 4-oxopiperidine-1,3-dicarboxylate","dimethyl 4-oxopiperidine-1,3-dicarboxylate",COC(=O)C1CN(CCC1=O)C(=O)OC,COC(=O)C1CN(CCC1=O)C(=O)OC,"InChI=1/C9H13NO5/c1-14-8(12)6-5-10(9(13)15-2)4-3-7(6)11/h6H,3-5H2,1-2H3",C9H13NO5,,,,,,GBZKFFZVVUNDFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.821,246-018-4,24108-89-2,"2,9-bis(4-ethoxyphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(4-ethoxyphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",CCOc1ccc(cc1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(OCC)cc9,CCOc1ccc(cc1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(OCC)cc9,"InChI=1/C40H26N2O6/c1-3-47-23-9-5-21(6-10-23)41-37(43)29-17-13-25-27-15-19-31-36-32(40(46)42(39(31)45)22-7-11-24(12-8-22)48-4-2)20-16-28(34(27)36)26-14-18-30(38(41)44)35(29)33(25)26/h5-20H,3-4H2,1-2H3",C40H26N2O6,,,,,,SUAFEKASGNVLFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.823,246-021-0,24112-29-6,3-[N-(2-hydroxyethyl)-p-[(6-nitrobenzothiazol-2-yl)azo]anilino]propiononitrile,"3-[(2-hydroxyethyl){4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]propanenitrile",OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+](=O)[O-],OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+](=O)[O-],"InChI=1/C18H16N6O3S/c19-8-1-9-23(10-11-25)14-4-2-13(3-5-14)21-22-18-20-16-7-6-15(24(26)27)12-17(16)28-18/h2-7,12,25H,1,9-11H2",C18H16N6O3S,,,,,,LVDNXHCLMAIUDS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.824,246-022-6,24112-48-9,"N-[5-(diethylamino)-2-[(2,4-dinitrophenyl)azo]phenyl]acetamide","N-{5-(diethylamino)-2-[(2,4-dinitrophenyl)diazenyl]phenyl}acetamide",[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)c(c2)[N+]([O-])=O,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)c(c2)[N+]([O-])=O,"InChI=1/C18H20N6O5/c1-4-22(5-2)13-6-8-15(17(10-13)19-12(3)25)20-21-16-9-7-14(23(26)27)11-18(16)24(28)29/h6-11H,4-5H2,1-3H3,(H,19,25)",C18H20N6O5,,,,,,WCUXAQAVBINHFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.836,246-035-7,24147-49-7,2-(diphenylamino)thiazol-4(5H)-one,"2-(diphenylamino)-1,3-thiazol-4(5H)-one",O=C1CSC(=N1)N(c2ccccc2)c3ccccc3,O=C1CSC(=N1)N(c2ccccc2)c3ccccc3,"InChI=1/C15H12N2OS/c18-14-11-19-15(16-14)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2",C15H12N2OS,,,,,,YIQJSUMQWQJBBG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.841,246-040-4,24155-32-6,1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one,1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethanone,Clc1ccc(cc1)C(=O)Cn2ccnc2,Clc1ccc(cc1)C(=O)Cn2ccnc2,"InChI=1/C11H9ClN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2",C11H9ClN2O,,,,,,PWFVNVYRKXDPGV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.365,244-417-8,21521-73-3,"S-[5-[(ethoxycarbonyl)amino]-1,3,4-thiadiazol-2-yl] O-ethyl thiocarbonate","S-{5-[(ethoxycarbonyl)amino]-1,3,4-thiadiazol-2-yl} O-ethyl thiocarbonate",CCOC(=O)Nc1nnc(SC(=O)OCC)s1,CCOC(=O)Nc1nnc(SC(=O)OCC)s1,"InChI=1/C8H11N3O4S2/c1-3-14-6(12)9-5-10-11-7(16-5)17-8(13)15-4-2/h3-4H2,1-2H3,(H,9,10,12)",C8H11N3O4S2,,,,,,VHIGDMHBSGYTSE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.367,244-419-9,21528-11-0,N-(2-aminoethyl)-3-hydroxynaphthalene-2-carboxamide hydrochloride,N-(2-aminoethyl)-3-hydroxy-2-naphthamide hydrochloride,Cl.NCCNC(=O)c1cc2ccccc2cc1O,Cl.NCCNC(=O)c1cc2ccccc2cc1O,"InChI=1/C13H14N2O2.ClH/c14-5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16;/h1-4,7-8,16H,5-6,14H2,(H,15,17);1H",C13H14N2O2.xClH,,,,,,WDFFQRAFNDJCBR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.373,244-426-7,21535-47-7,Mianserin hydrochloride,"2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine hydrochloride",Cl.CN1CCN2C(C1)c3ccccc3Cc4ccccc24,Cl.CN1CCN2C(C1)c3ccccc3Cc4ccccc24,"InChI=1/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H",C18H20N2.ClH,,,,,,YNPFMWCWRVTGKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.002,246-219-7,24393-54-2,Ethyl (E)-o-methoxycinnamate,ethyl 3-(2-methoxyphenyl)acrylate,CCOC(=O)\\C=C\\c1ccccc1OC,CCOC(=O)\C=C\c1ccccc1OC,"InChI=1/C12H14O3/c1-3-15-12(13)9-8-10-6-4-5-7-11(10)14-2/h4-9H,3H2,1-2H3",C12H14O3,,,,,,ATAFSLBAINHGTN-CMDGGOBGSA-N,,,,,,,,,,,
100.042.004,246-221-8,24394-09-0,"2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutyrate","10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutanoate",C\\C\\1=C\\CC\\C(=C/C2OC(=O)C(=C)C2C(C1)OC(=O)C(=C)C(O)CO)\\CO,C\C\1=C\CC\C(=C/C2OC(=O)C(=C)C2C(C1)OC(=O)C(=C)C(O)CO)\CO,"InChI=1/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3",C20H26O7,,,,,,ZTDFZLVUIVPZDU-ZCVSKNPDSA-N,,,,,,,,,,,
100.042.005,246-222-3,24398-49-0,N-methyl-N-(phenylthio)benzenesulphenamide,"N,N-bis(phenylsulfanyl)methanamine",CN(Sc1ccccc1)Sc2ccccc2,CN(Sc1ccccc1)Sc2ccccc2,"InChI=1/C13H13NS2/c1-14(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3",C13H13NS2,,,,,,KMCFEXNDAKVDBN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.010,246-228-6,24402-80-0,Hydrogen 3-(2-carboxylatoethyl)-2-[3-[3-(2-carboxylatoethyl)-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]benzothiazolium,"hydrogen 3-[2-{3-[3-(2-carboxylatoethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-en-1-ylidene}-1,3-benzothiazol-3(2H)-yl]propanoate",[H+].[O-]C(=O)CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCC([O-])=O,[H+].[O-]C(=O)CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCC([O-])=O,"InChI=1/C24H22N2O4S2.H2/c1-16(14-21-25(12-10-23(27)28)17-6-2-4-8-19(17)31-21)15-22-26(13-11-24(29)30)18-7-3-5-9-20(18)32-22;/h2-9,14-15H,10-13H2,1H3,(H-,27,28,29,30);1H/q;+1/p-1",C24H22N2O4S2,,,,,,AGZABEYUDPBTMR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.028,246-248-5,24437-41-0,N-methylpyrrol-2-ylacetonitrile,(1-methyl-1H-pyrrol-2-yl)acetonitrile,Cn1cccc1CC#N,Cn1cccc1CC#N,"InChI=1/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H3",C7H8N2,,,,,,ROSYAUHHRKAPHX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.032,246-252-7,24447-72-1,"(1-methylethylidene)bis[4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)] bismethacrylate","propane-2,2-diylbis(4,1-phenyleneoxypropane-1,2-diyl) bis(2-methylacrylate)",CC(COc1ccc(cc1)C(C)(C)c2ccc(OCC(C)OC(=O)C(=C)C)cc2)OC(=O)C(=C)C,CC(COc1ccc(cc1)C(C)(C)c2ccc(OCC(C)OC(=O)C(=C)C)cc2)OC(=O)C(=C)C,"InChI=1/C29H36O6/c1-19(2)27(30)34-21(5)17-32-25-13-9-23(10-14-25)29(7,8)24-11-15-26(16-12-24)33-18-22(6)35-28(31)20(3)4/h9-16,21-22H,1,3,17-18H2,2,4-8H3",C29H36O6,,,,,,PPQQLTZAHODMPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.751,250-342-1,30798-32-4,(2-hydroxypropyl)ammonium citrate,tris(2-hydroxypropan-1-aminium) citrate,CC(O)C[NH3+].CC(O)C[NH3+].CC(O)C[NH3+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC(O)C[NH3+].CC(O)C[NH3+].CC(O)C[NH3+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3C3H9NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-3(5)2-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*3,5H,2,4H2,1H3",C6H8O7.xC3H9NO,,,,,,SDFDXISIQPWHEE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.755,250-346-3,30817-14-2,"Sodium 1,4-bis[2-[2-(dodecyloxy)ethoxy]ethyl] sulphonatosuccinate","sodium 20,23-dioxo-13,16,19,24,27,30-hexaoxadotetracontane-21-sulfonate",[Na+].CCCCCCCCCCCCOCCOCCOC(=O)CC(C(=O)OCCOCCOCCCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOCCOCCOC(=O)CC(C(=O)OCCOCCOCCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C36H70O11S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-42-25-27-44-29-31-46-35(37)33-34(48(39,40)41)36(38)47-32-30-45-28-26-43-24-22-20-18-16-14-12-10-8-6-4-2;/h34H,3-33H2,1-2H3,(H,39,40,41);/q;+1/p-1",C36H70O11S.Na,,,,,,SXYBWIUHQUXVNA-UHFFFAOYSA-M,,,,,,,,,,,
100.045.758,250-350-5,30828-87-6,4-[[4-[(4-hydroxy-3-methylphenyl)azo]phenyl]azo]-m-cresol,4-({4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl}diazenyl)-2-methylphenol,Cc3cc(N=Nc2ccc(N=Nc1ccc(O)cc1C)cc2)ccc3O,Cc3cc(N=Nc2ccc(N=Nc1ccc(O)cc1C)cc2)ccc3O,"InChI=1/C20H18N4O2/c1-13-12-18(25)8-9-19(13)24-22-16-5-3-15(4-6-16)21-23-17-7-10-20(26)14(2)11-17/h3-12,25-26H,1-2H3",C20H18N4O2,,,,,,JCQDQWMRANMFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.760,250-352-6,30833-53-5,Isobutyl hydrogen phthalate,2-(isobutoxycarbonyl)benzoic acid,CC(C)COC(=O)c1ccccc1C(=O)O,CC(C)COC(=O)c1ccccc1C(=O)O,"InChI=1/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)",C12H14O4,,,,,,RZJSUWQGFCHNFS-UHFFFAOYSA-N,Positive/Negative,SM823305,[M+H]+,HCD35,149.0234:57.0701:121.0285,CASMI_2016,SM823351,[M-H]-,HCD35,134.0372:221.0819:177.092,CASMI_2016
100.041.827,246-025-2,24124-40-1,"1-amino-4-(3-amino-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1c(N)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)S(=O)(=O)O,Cc1c(N)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C23H21N3O8S2/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34)",C23H21N3O8S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11239,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.827,LQWXDEOZWGMSAR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.829,246-027-3,24138-27-0,"Methyl (2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","methyl 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",COC(=O)[C@@H]1N2[C@H](SC1(C)C)C(Br)(Br)C2=O,COC(=O)[C@@H]1N2[C@H](SC1(C)C)C(Br)(Br)C2=O,"InChI=1/C9H11Br2NO3S/c1-8(2)4(5(13)15-3)12-6(14)9(10,11)7(12)16-8/h4,7H,1-3H3",C9H11Br2NO3S,,,,,,WCUKSITUCKMDKL-MHTLYPKNSA-N,,,,,,,,,,,
100.041.830,246-028-9,24138-28-1,"[2S-(2a,5a,6a)]-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)SC2C(Br)C(=O)N2C1C(=O)O,CC1(C)SC2C(Br)C(=O)N2C1C(=O)O,"InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)",C8H10BrNO3S,,,,,,DAVPSCAAXXVSFU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.832,246-031-5,24142-77-6,(1-methyl-1-propoxyethyl)benzene,(1-methyl-1-propoxyethyl)benzene,CCCOC(C)(C)c1ccccc1,CCCOC(C)(C)c1ccccc1,"InChI=1/C12H18O/c1-4-10-13-12(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3",C12H18O,,,,,,PLWOFDYJSDGEAT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.844,246-044-6,24157-79-7,"1,4-bis(isopropyl)naphthalene","1,4-diisopropylnaphthalene",CC(C)c1ccc(C(C)C)c2ccccc12,CC(C)c1ccc(C(C)C)c2ccccc12,"InChI=1/C16H20/c1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16/h5-12H,1-4H3",C16H20,,,,,,BDJUQNIAPKYGNU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.850,246-050-9,24168-70-5,3-sec-butyl-2-methoxypyrazine,2-sec-butyl-3-methoxypyrazine,CCC(C)c1nccnc1OC,CCC(C)c1nccnc1OC,"InChI=1/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3",C9H14N2O,,,,,,QMQDJVIJVPEQHE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.853,246-054-0,24169-32-2,"2-(bromomethyl)-2-(2,3,4-trichlorophenyl)-1,3-dioxolane","2-(bromomethyl)-2-(2,3,4-trichlorophenyl)-1,3-dioxolane",Clc1ccc(c(Cl)c1Cl)C2(CBr)OCCO2,Clc1ccc(c(Cl)c1Cl)C2(CBr)OCCO2,"InChI=1/C10H8BrCl3O2/c11-5-10(15-3-4-16-10)6-1-2-7(12)9(14)8(6)13/h1-2H,3-5H2",C10H8BrCl3O2,,,,,,PFSSVZKNVAXVRA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.858,246-059-8,24171-89-9,Tris(2-thienyl)phosphine,tri-2-thienylphosphine,c1csc(c1)P(c2cccs2)c3cccs3,c1csc(c1)P(c2cccs2)c3cccs3,InChI=1/C12H9PS3/c1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12/h1-9H,C12H9PS3,,,,,,KUCPTMZJPDVWJL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.859,246-060-3,24173-36-2,p-azidobenzaldehyde,4-azidobenzaldehyde,[N-]=[N+]=Nc1ccc(C=O)cc1,[N-]=[N+]=Nc1ccc(C=O)cc1,InChI=1/C7H5N3O/c8-10-9-7-3-1-6(5-11)2-4-7/h1-5H,C7H5N3O,,,,,,SDJOUGYEUFYPLL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.861,246-062-4,24175-05-1,Aluminium tris[2-[[3-(trifluoromethyl)phenyl]amino]nicotinate],aluminum tris(2-{[3-(trifluoromethyl)phenyl]amino}nicotinate),[Al+3].[O-]C(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F.[O-]C(=O)c3cccnc3Nc4cccc(c4)C(F)(F)F.[O-]C(=O)c5cccnc5Nc6cccc(c6)C(F)(F)F,[Al+3].[O-]C(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F.[O-]C(=O)c3cccnc3Nc4cccc(c4)C(F)(F)F.[O-]C(=O)c5cccnc5Nc6cccc(c6)C(F)(F)F,"InChI=1/3C13H9F3N2O2.Al/c3*14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;/h3*1-7H,(H,17,18)(H,19,20);/q;;;+3/p-3",C13H9F3N2O2.1/3Al,,,,,,STHLDTVJWHYDBL-UHFFFAOYSA-K,,,,,,,,,,,
100.041.862,246-064-5,24180-58-3,"Strychnidine-10,11-dione, 11-oxime, monohydrochloride","strychnidine-10,11-dione 11-oxime hydrochloride",Cl.ON=C2C(=O)N3c1ccccc1[C@@]46CCN5C\\C7=C\\CO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@H]56,Cl.ON=C2C(=O)N3c1ccccc1[C@@]46CCN5C\C7=C\CO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@H]56,"InChI=1/C21H21N3O3.ClH/c25-20-17(22-26)18-16-12-9-15-21(6-7-23(15)10-11(12)5-8-27-18)13-3-1-2-4-14(13)24(20)19(16)21;/h1-5,12,15-16,18-19,26H,6-10H2;1H",C21H21N3O3.ClH,,,,,,KNQCFZQEDQZUJM-XOFUHLMYSA-N,,,,,,,,,,,
100.041.864,246-066-6,24184-37-0,Ethyl L-asparaginate monohydrochloride,ethyl L-asparaginate hydrochloride,Cl.CCOC(=O)[C@@H](N)CC(=O)N,Cl.CCOC(=O)[C@@H](N)CC(=O)N,"InChI=1/C6H12N2O3.ClH/c1-2-11-6(10)4(7)3-5(8)9;/h4H,2-3,7H2,1H3,(H2,8,9);1H",C6H12N2O3.ClH,,,,,,RIGBOVZPZYVXER-WCCKRBBISA-N,,,,,,,,,,,
100.041.865,246-067-1,24184-43-8,Methyl D-serinate,methyl D-serinate,COC(=O)[C@H](N)CO,COC(=O)[C@H](N)CO,"InChI=1/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3",C4H9NO3,,,,,,ANSUDRATXSJBLY-GSVOUGTGSA-N,,,,,,,,,,,
100.041.867,246-069-2,24190-29-2,"[R-(E)]-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",CC(=O)C=CC1C(=CCCC1(C)C)C,CC(=O)C=CC1C(=CCCC1(C)C)C,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3",C13H20O,,,,,,UZFLPKAIBPNNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.751,249-242-0,28804-90-2,Methyl naphthoate,methyl 1-naphthoate,COC(=O)c1cccc2ccccc12,COC(=O)c1cccc2ccccc12,"InChI=1/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3",C12H10O2,,,,,,HMRROBKAACRWBP-UHFFFAOYSA-N,Positive,SM803101,[M+H]+,HCD35,187.0753:144.0569:159.0804,CASMI_2016,,,,,
100.044.752,249-243-6,28805-35-8,"1-(1,2,3,5,6,7-hexahydrotetramethyl-s-indacenyl)ethanone","1-(1,2,2,3-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-yl)ethanone",CC1c2cc3CCCc3cc2C(C)(C(=O)C)C1(C)C,CC1c2cc3CCCc3cc2C(C)(C(=O)C)C1(C)C,"InChI=1/C18H24O/c1-11-15-9-13-7-6-8-14(13)10-16(15)18(5,12(2)19)17(11,3)4/h9-11H,6-8H2,1-5H3",C18H24O,,,,,,BKTMTSLLVROZJR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.755,249-246-2,28805-86-9,Butylphenol,2-butylphenol,CCCCc1ccccc1O,CCCCc1ccccc1O,"InChI=1/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8,11H,2-3,6H2,1H3",C10H14O,,,,,,GJYCVCVHRSWLNY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.759,249-250-4,28813-39-0,1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol monohydrochloride,1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol hydrochloride,Cl.CC(C)NCC(O)COc1cccc2[nH]ccc12,Cl.CC(C)NCC(O)COc1cccc2[nH]ccc12,"InChI=1/C14H20N2O2.ClH/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;/h3-7,10-11,15-17H,8-9H2,1-2H3;1H",C14H20N2O2.ClH,,,,,,MAUPDHMFNIUWSK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.771,249-264-0,28832-64-6,1H-perimidin-2-amine,1H-perimidin-2-amine,NC1=Nc2cccc3cccc(N1)c23,NC1=Nc2cccc3cccc(N1)c23,"InChI=1/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)",C11H9N3,,,,,,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.772,249-265-6,28836-03-5,Ammonium 8-anilinonaphthalene-1-sulphonate,ammonium 8-anilinonaphthalene-1-sulfonate,[NH4+].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12,[NH4+].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12,"InChI=1/C16H13NO3S.H3N/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);1H3",C16H13NO3S.H3N,,,,,,IPBNQYLKHUNLQE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.232,244-272-0,21211-28-9,"Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate 1,1-dioxide","methyl 3-hydroxy-1-benzothiophene-2-carboxylate 1,1-dioxide",COC(=O)C1=C(O)c2ccccc2S1(=O)=O,COC(=O)C1=C(O)c2ccccc2S1(=O)=O,"InChI=1/C10H8O5S/c1-15-10(12)9-8(11)6-4-2-3-5-7(6)16(9,13)14/h2-5,11H,1H3",C10H8O5S,,,,,,HJCMWOVPTCMTMC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.234,244-274-1,21213-89-8,1-(4-hydroxyphenyl)-2-(methylamino)ethan-1-one,1-(4-hydroxyphenyl)-2-(methylamino)ethanone,CNCC(=O)c1ccc(O)cc1,CNCC(=O)c1ccc(O)cc1,"InChI=1/C9H11NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,10-11H,6H2,1H3",C9H11NO2,,,,,,MTQOKMDKQJVMSO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.235,244-275-7,21214-39-1,Tris(3-tert-butyl-4-hydroxyphenyl) phosphate,tris(3-tert-butyl-4-hydroxyphenyl) phosphate,CC(C)(C)c1cc(OP(=O)(Oc2ccc(O)c(c2)C(C)(C)C)Oc3ccc(O)c(c3)C(C)(C)C)ccc1O,CC(C)(C)c1cc(OP(=O)(Oc2ccc(O)c(c2)C(C)(C)C)Oc3ccc(O)c(c3)C(C)(C)C)ccc1O,"InChI=1/C30H39O7P/c1-28(2,3)22-16-19(10-13-25(22)31)35-38(34,36-20-11-14-26(32)23(17-20)29(4,5)6)37-21-12-15-27(33)24(18-21)30(7,8)9/h10-18,31-33H,1-9H3",C30H39O7P,,,,,,KNZZERRHIZAXIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.237,244-277-8,21216-49-9,Tetrahydroxydi-µ-oxo(L-tyrosinato-O)trialuminium,-,NC(Cc1ccc(O)cc1)C(=O)O[Al](O[Al](O)O)O[Al](O)O,NC(Cc1ccc(O)cc1)C(=O)O[Al](O[Al](O)O)O[Al](O)O,"InChI=1/C9H11NO3.3Al.4H2O.2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;;;;;;;/h1-4,8,11H,5,10H2,(H,12,13);;;;4*1H2;;/q;+1;2*+2;;;;;;/p-5/rC9H14Al3NO9/c13-8(5-6-1-3-7(14)4-2-6)9(15)20-12(21-10(16)17)22-11(18)19/h1-4,8,14,16-19H,5,13H2",C9H14Al3NO9,,,,,,YEDCYXVWWGKLOJ-UHFFFAOYSA-I,,,,,,,,,,,
100.040.238,244-278-3,21216-80-8,N-hexadecylacrylamide,N-hexadecylacrylamide,CCCCCCCCCCCCCCCCNC(=O)C=C,CCCCCCCCCCCCCCCCNC(=O)C=C,"InChI=1/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)4-2/h4H,2-3,5-18H2,1H3,(H,20,21)",C19H37NO,,,,,,BKWMQCLROIZNLX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.239,244-279-9,21217-75-4,2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl methacrylate,2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl methacrylate,CC(=C)C(=O)OCCOCCOCCOCCO,CC(=C)C(=O)OCCOCCOCCOCCO,"InChI=1/C12H22O6/c1-11(2)12(14)18-10-9-17-8-7-16-6-5-15-4-3-13/h13H,1,3-10H2,2H3",C12H22O6,,,,,,MCWMYICYUGCRDY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.241,244-282-5,21221-93-2,"3,5-bis(trifluoromethyl)benzophenone","[3,5-bis(trifluoromethyl)phenyl](phenyl)methanone",FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)c2ccccc2,FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)c2ccccc2,"InChI=1/C15H8F6O/c16-14(17,18)11-6-10(7-12(8-11)15(19,20)21)13(22)9-4-2-1-3-5-9/h1-8H",C15H8F6O,,,,,,QETSMUIBVUASOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.884,246-088-6,24219-97-4,Mianserin,"2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine",CN1CCN2C(C1)c3ccccc3Cc4ccccc24,CN1CCN2C(C1)c3ccccc3Cc4ccccc24,"InChI=1/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3",C18H20N2,,,,,,UEQUQVLFIPOEMF-UHFFFAOYSA-N,Positive,EQ327401|EQ327402|EQ327403|EQ327404|EQ327405|EQ327406|EQ327407|EQ327408|EQ327409,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,265.1697:208.1121:58.0649|265.1697:208.1121:58.0651|58.0651:208.112:265.1698|58.0651:208.1121:118.0651|58.0651:91.0542:118.0651|58.0651:91.0542:193.0886|91.0542:58.0651:115.0542|91.0542:65.0386:115.0542|65.0386:89.0385:91.0542,Eawag,,,,,
100.041.897,246-103-6,24237-55-6,"Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride","ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride",Cl.CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12,Cl.CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12,"InChI=1/C17H20N2O2S.ClH/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11,18H2,1H3;1H",C17H20N2O2S.xClH,,,,,,LMAQHEGFQZGATE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.843,246-043-0,24155-45-1,a-(4-chlorophenyl)-1H-imidazole-1-ethanol,1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethanol,OC(Cn1ccnc1)c2ccc(Cl)cc2,OC(Cn1ccnc1)c2ccc(Cl)cc2,"InChI=1/C11H11ClN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7H2",C11H11ClN2O,,,,,,HMMMTSXSWRPUOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.855,246-056-1,24170-14-7,(carboxymethyl)bis(2-hydroxyethyl)octadecylammonium hydroxide,"N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)octadecan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC(=O)O,[OH-].CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC(=O)O,"InChI=1/C24H49NO4.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-21-26,20-22-27)23-24(28)29;/h26-27H,2-23H2,1H3;1H2",C24H49NO4,,,,,,UOHHZDFKFLSZNE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.857,246-058-2,24170-60-3,"N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide","N-{2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide",[O-][N+](=O)c2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,[O-][N+](=O)c2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,"InChI=1/C19H19N7O5/c1-4-24(5-2)14-6-7-16(17(9-14)21-12(3)27)22-23-19-13(11-20)8-15(25(28)29)10-18(19)26(30)31/h6-10H,4-5H2,1-3H3,(H,21,27)",C19H19N7O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17176,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.857,NHBNDXGKNAEBAI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.860,246-061-9,24173-47-5,"3,7-dimethylnon-6-en-1-yn-3-ol","3,7-dimethylnon-6-en-1-yn-3-ol",CC(O)(CCC=C(C)CC)C#C,CC(O)(CCC=C(C)CC)C#C,"InChI=1/C11H18O/c1-5-10(3)8-7-9-11(4,12)6-2/h2,8,12H,5,7,9H2,1,3-4H3",C11H18O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18155,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.860,OJXKWJPEGDDDHH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.868,246-070-8,24192-58-3,"1,8-diisopropylnaphthalene","1,8-diisopropylnaphthalene",CC(C)c1cccc2cccc(C(C)C)c12,CC(C)c1cccc2cccc(C(C)C)c12,"InChI=1/C16H20/c1-11(2)14-9-5-7-13-8-6-10-15(12(3)4)16(13)14/h5-12H,1-4H3",C16H20,,,,,,MXPFNCSRRZDGMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.504,247-871-5,26644-00-8,"P,P'-dimethyl dihydrogen diphosphate",dimethyl dihydrogen diphosphate,COP(=O)(O)OP(=O)(O)OC,COP(=O)(O)OP(=O)(O)OC,"InChI=1/C2H8O7P2/c1-7-10(3,4)9-11(5,6)8-2/h1-2H3,(H,3,4)(H,5,6)",C2H8O7P2,,,,,,BPNLLIHZSAFABG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.505,247-872-0,26644-46-2,Triforine,"N,N'-[piperazine-1,4-diylbis(2,2,2-trichloroethane-1,1-diyl)]diformamide",ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl,ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl,"InChI=1/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)",C10H14Cl6N4O2,,,,,,RROQIUMZODEXOR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.526,247-895-6,26672-22-0,2-[(4-amino-3-methoxyphenyl)sulphonyl]ethyl hydrogen sulphate,2-[(4-amino-3-methoxyphenyl)sulfonyl]ethyl hydrogen sulfate,COc1cc(ccc1N)S(=O)(=O)CCOS(=O)(=O)O,COc1cc(ccc1N)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C9H13NO7S2/c1-16-9-6-7(2-3-8(9)10)18(11,12)5-4-17-19(13,14)15/h2-3,6H,4-5,10H2,1H3,(H,13,14,15)",C9H13NO7S2,,,,,,LXPCKCQPLWEYSW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.974,249-487-3,29173-31-7,Mecarphon,S-{2-[(methoxycarbonyl)(methyl)amino]-2-oxoethyl} O-methyl methylphosphonodithioate,COC(=O)N(C)C(=O)CSP(=S)(C)OC,COC(=O)N(C)C(=O)CSP(=S)(C)OC,"InChI=1/C7H14NO4PS2/c1-8(7(10)11-2)6(9)5-15-13(4,14)12-3/h5H2,1-4H3",C7H14NO4PS2,,,,,,PUTUPQVEMBRCAG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.975,249-488-9,29176-29-2,Lofendazam,"8-chloro-1-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",Clc1ccc2NCCC(=O)N(c3ccccc3)c2c1,Clc1ccc2NCCC(=O)N(c3ccccc3)c2c1,"InChI=1/C15H13ClN2O/c16-11-6-7-13-14(10-11)18(15(19)8-9-17-13)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2",C15H13ClN2O,,,,,,IUJQOUHDFKALCY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.979,249-493-6,29184-39-2,Bis(2-chlorophenethyl) disulphide,"1,1'-(disulfanediyldiethane-2,1-diyl)bis(2-chlorobenzene)",Clc1ccccc1CCSSCCc2ccccc2Cl,Clc1ccccc1CCSSCCc2ccccc2Cl,"InChI=1/C16H16Cl2S2/c17-15-7-3-1-5-13(15)9-11-19-20-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2",C16H16Cl2S2,,,,,,DYOVFYOQAMIWLF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.981,249-495-7,29190-28-1,"2,4-bis(xylylazo)resorcinol","2,4-bis[(2,4-dimethylphenyl)diazenyl]benzene-1,3-diol",Cc1ccc(N=Nc2ccc(O)c(N=Nc3ccc(C)cc3C)c2O)c(C)c1,Cc1ccc(N=Nc2ccc(O)c(N=Nc3ccc(C)cc3C)c2O)c(C)c1,"InChI=1/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,27-28H,1-4H3",C22H22N4O2,,,,,,WMIICSQDNIXFKP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.984,249-498-3,29194-44-3,5-chloro-2-hydroxy-3-[[3-methyl-5-oxo-1-(m-sulphophenyl)-2-pyrazolin-4-yl]azo]benzenesulphonic acid,"5-chloro-2-hydroxy-3-{[3-methyl-5-oxo-1-(3-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonic acid",OS(=O)(=O)c3cc(Cl)cc(N=NC2C(\\C)=N/N(c1cc(ccc1)S(O)(=O)=O)C2=O)c3O,OS(=O)(=O)c3cc(Cl)cc(N=NC2C(\C)=N/N(c1cc(ccc1)S(O)(=O)=O)C2=O)c3O,"InChI=1/C16H13ClN4O8S2/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26/h2-7,14,22H,1H3,(H,24,25,26)(H,27,28,29)",C16H13ClN4O8S2,,,,,,IMQZAMUWKUCBBR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.985,249-499-9,29194-47-6,"Adipic acid, compound with 2-aminoethanol",hexanedioic acid - 2-aminoethanol (1:1),NCCO.OC(=O)CCCCC(=O)O,NCCO.OC(=O)CCCCC(=O)O,"InChI=1/C6H10O4.C2H7NO/c7-5(8)3-1-2-4-6(9)10;3-1-2-4/h1-4H2,(H,7,8)(H,9,10);4H,1-3H2",C6H10O4.xC2H7NO,,,,,,NZYPTWFKRQMGMS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.988,249-502-3,29202-49-1,"Maleic acid, barium salt",barium but-2-enedioate,[Ba+2].[O-]C(=O)\\C=C/C(=O)[O-],[Ba+2].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.Ba/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2",C4H4O4.xBa,,,,,,YXUUWXPIZZLNIO-ODZAUARKSA-L,,,,,,,,,,,
100.045.764,250-356-8,30848-25-0,Barium zinc orthosilicate(1:2:1),-,[Zn].[Zn].[Ba].[O-][Si]([O-])([O-])[O-],[Zn].[Zn].[Ba].[O-][Si]([O-])([O-])[O-],"InChI=1/Ba.O4Si.2Zn/c;1-5(2,3)4;;/q+2;-4;2*+2",Ba.H6O7Si2.2Zn,,,,,,CYYUKLGDDFMPGT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.770,250-363-6,30862-33-0,Potassium octyl sulphate,potassium octyl sulfate,[K+].CCCCCCCCOS(=O)(=O)[O-],[K+].CCCCCCCCOS(=O)(=O)[O-],"InChI=1/C8H18O4S.K/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1",C8H18O4S.K,,,,,,FTCOOXFANFQPEC-UHFFFAOYSA-M,,,,,,,,,,,
100.045.771,250-364-1,30862-34-1,Tris(2-hydroxyethyl)ammonium octyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium octyl sulfate",CCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C8H18O4S.C6H15NO3/c1-2-3-4-5-6-7-8-12-13(9,10)11;8-4-1-7(2-5-9)3-6-10/h2-8H2,1H3,(H,9,10,11);8-10H,1-6H2",C8H18O4S.C6H15NO3,,,,,,JKLVJVFMOYDRNL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.774,250-367-8,30866-95-6,"Butane-2,3-dione dioxime, sodium salt",-,[Na+].CC(=NO)C(C)=NO,[Na+].CC(=NO)C(C)=NO,"InChI=1/C4H8N2O2.Na/c1-3(5-7)4(2)6-8;/h7-8H,1-2H3;/q;+1",C4H8N2O2.xNa,,,,,,MJWQZLZIQCOQPE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.776,250-369-9,30868-51-0,Calcium hexafluorozirconate(2-),calcium hexafluorozirconate(2-),[Ca+2].F[Zr-2](F)(F)(F)(F)F,[Ca+2].F[Zr-2](F)(F)(F)(F)F,"InChI=1/Ca.6FH.Zr/h;6*1H;/q+2;;;;;;;+4/p-6/rCa.F6Zr/c;1-7(2,3,4,5)6/q+2;-2",Ca.F6Zr,,,,,,VJZHISAAGNUUDT-UHFFFAOYSA-H,,,,,,,,,,,
100.045.784,250-378-8,30899-19-5,Pentanol,pentan-1-ol,CCCCCO,CCCCCO,"InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",C5H12O,,,,,,AMQJEAYHLZJPGS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.786,250-380-9,30901-64-5,Phenylpyridine-2-acetonitrile,(3-phenylpyridin-2-yl)acetonitrile,N#CCc1ncccc1c2ccccc2,N#CCc1ncccc1c2ccccc2,"InChI=1/C13H10N2/c14-9-8-13-12(7-4-10-15-13)11-5-2-1-3-6-11/h1-7,10H,8H2",C13H10N2,,,,,,CRGVWXVIMVMUDM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.788,250-383-5,30905-63-6,Calcium N-carbamoyl-DL-aspartate,calcium 2-(carbamoylamino)succinate,[Ca+2].NC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],[Ca+2].NC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C5H8N2O5.Ca/c6-5(12)7-2(4(10)11)1-3(8)9;/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;+2/p-2",C5H8N2O5.Ca,,,,,,KGWAITXYALRFDQ-DKWTVANSSA-L,,,,,,,,,,,
100.040.702,244-788-6,22117-79-9,4-methoxy-3-nitrobenzenesulphonyl chloride,4-methoxy-3-nitrobenzenesulfonyl chloride,COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Cl,COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Cl,"InChI=1/C7H6ClNO5S/c1-14-7-3-2-5(15(8,12)13)4-6(7)9(10)11/h2-4H,1H3",C7H6ClNO5S,,,,,,PWYNJONRUFAOFG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.706,244-792-8,22122-18-5,2-hydroxyethyl myristate,2-hydroxyethyl myristate,CCCCCCCCCCCCCC(=O)OCCO,CCCCCCCCCCCCCC(=O)OCCO,"InChI=1/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h17H,2-15H2,1H3",C16H32O3,,,,,,ABFWOTZXBYVPIF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.709,244-795-4,22131-79-9,Alclofenac,[4-(allyloxy)-3-chlorophenyl]acetic acid,OC(=O)Cc1ccc(OCC=C)c(Cl)c1,OC(=O)Cc1ccc(OCC=C)c(Cl)c1,"InChI=1/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)",C11H11ClO3,,,,,,ARHWPKZXBHOEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.710,244-797-5,22132-71-4,Diammonium phosphonate,diammonium phosphonate,[NH4+].[NH4+].[O-]P(=O)[O-],[NH4+].[NH4+].[O-]P(=O)[O-],"InChI=1/2H3N.H3O3P/c;;1-4(2)3/h2*1H3;4H,(H2,1,2,3)",H3N.1/2H3O3P,,,,,,YXHXDEBLSQQHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.714,244-802-0,22136-09-0,7-amino-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2-sulphonic acid,7-amino-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c3ccccc3N=Nc2c(cc1cc(N)ccc1c2O)S(O)(=O)=O,OS(=O)(=O)c3ccccc3N=Nc2c(cc1cc(N)ccc1c2O)S(O)(=O)=O,"InChI=1/C16H13N3O7S2/c17-10-5-6-11-9(7-10)8-14(28(24,25)26)15(16(11)20)19-18-12-3-1-2-4-13(12)27(21,22)23/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26)",C16H13N3O7S2,,,,,,WJBNEMQYSHMDPS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.717,244-805-7,22148-77-2,(±)-1-methyl-3-phenylpropylamine,2-phenylbutan-2-amine,CCC(C)(N)c1ccccc1,CCC(C)(N)c1ccccc1,"InChI=1/C10H15N/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8H,3,11H2,1-2H3",C10H15N,,,,,,XTTQGFJZEYVZAP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.719,244-807-8,22150-76-1,"[S-(R*,S*)]-2-amino-6-(1,2-dihydroxypropyl)-1H-pteridin-4-one","2-amino-6-(1,2-dihydroxypropyl)pteridin-4(3H)-one",CC(O)C(O)c1cnc2N=C(N)NC(=O)c2n1,CC(O)C(O)c1cnc2N=C(N)NC(=O)c2n1,"InChI=1/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)",C9H11N5O3,,,,,,LHQIJBMDNUYRAM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.721,244-809-9,22155-91-5,(S)-N-2-naphthyl-5-oxopyrrolidine-2-carboxamide,N-2-naphthyl-5-oxoprolinamide,O=C(Nc1ccc2ccccc2c1)C3CCC(=O)N3,O=C(Nc1ccc2ccccc2c1)C3CCC(=O)N3,"InChI=1/C15H14N2O2/c18-14-8-7-13(17-14)15(19)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,19)(H,17,18)",C15H14N2O2,,,,,,BZEPQNMASTUAMY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.722,244-810-4,22156-48-5,"4,4-diphenylbutyronitrile","4,4-diphenylbutanenitrile",N#CCCC(c1ccccc1)c2ccccc2,N#CCCC(c1ccccc1)c2ccccc2,"InChI=1/C16H15N/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12H2",C16H15N,,,,,,JYHNHWMZIXPAEL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.503,247-869-4,26643-91-4,4-methyl-2-phenyl-2-pentenal,4-methyl-2-phenylpent-2-enal,CC(C)C=C(C=O)c1ccccc1,CC(C)C=C(C=O)c1ccccc1,"InChI=1/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3",C12H14O,,,,,,ULRYRAHIBWLZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.506,247-873-6,26650-05-5,Disodium 4-[2-[(1-oxoundec-10-enyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-oxo-2-sulfonato-4-[2-(undec-10-enoylamino)ethoxy]butanoate,[Na+].[Na+].[O-]C(=O)C(CC(=O)OCCNC(=O)CCCCCCCCC=C)S(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)C(CC(=O)OCCNC(=O)CCCCCCCCC=C)S(=O)(=O)[O-],"InChI=1/C17H29NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-15(19)18-11-12-26-16(20)13-14(17(21)22)27(23,24)25;;/h2,14H,1,3-13H2,(H,18,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2",C17H29NO8S.2Na,,,,,,UJANBUQPBCDVSB-UHFFFAOYSA-L,,,,,,,,,,,
100.043.507,247-874-1,26650-11-3,"N,N'-bis(3-aminopropyl)hexane-1,6-diamine","N,N'-bis(3-aminopropyl)hexane-1,6-diamine",NCCCNCCCCCCNCCCN,NCCCNCCCCCCNCCCN,"InChI=1/C12H30N4/c13-7-5-11-15-9-3-1-2-4-10-16-12-6-8-14/h15-16H,1-14H2",C12H30N4,,,,,,WOVJRSMTQMZAJS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.508,247-875-7,26650-75-9,"2,4-dichloro-6-propoxy-1,3,5-triazine","2,4-dichloro-6-propoxy-1,3,5-triazine",CCCOc1nc(Cl)nc(Cl)n1,CCCOc1nc(Cl)nc(Cl)n1,"InChI=1/C6H7Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3",C6H7Cl2N3O,,,,,,SVHHRUHQFRFOIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.510,247-877-8,26651-25-2,5-[(butylamino)sulphonyl]-2-methoxybenzenediazonium,5-(butylsulfamoyl)-2-methoxybenzenediazonium,CCCCNS(=O)(=O)c1ccc(OC)c(c1)[N+]#N,CCCCNS(=O)(=O)c1ccc(OC)c(c1)[N+]#N,"InChI=1/C11H16N3O3S/c1-3-4-7-13-18(15,16)9-5-6-11(17-2)10(8-9)14-12/h5-6,8,13H,3-4,7H2,1-2H3/q+1",C11H16N3O3S,,,,,,PDUXJTPGYZCGRI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.511,247-878-3,26651-96-7,"7,11-dimethyldodeca-4,6,10-trien-3-one","7,11-dimethyldodeca-4,6,10-trien-3-one",C/C(C)=C\\CCC(C)=CC=CC(=O)CC,C/C(C)=C\CCC(C)=CC=CC(=O)CC,"InChI=1/C14H22O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h7-8,10-11H,5-6,9H2,1-4H3",C14H22O,,,,,,SPHLZZZXIWUZNM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.514,247-882-5,26655-40-3,"Diisooctyl 3,3'-thiobispropionate","bis(6-methylheptyl) 3,3'-sulfanediyldipropanoate",CC(C)CCCCCOC(=O)CCSCCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCSCCC(=O)OCCCCCC(C)C,"InChI=1/C22H42O4S/c1-19(2)11-7-5-9-15-25-21(23)13-17-27-18-14-22(24)26-16-10-6-8-12-20(3)4/h19-20H,5-18H2,1-4H3",C22H42O4S,,,,,,VDZNRBPIVGKYDI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.976,249-489-4,29177-84-2,Ethyl loflazepate,"ethyl 7-chloro-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate",CCOC(=O)C1N=C(c2ccccc2F)c3cc(Cl)ccc3NC1=O,CCOC(=O)C1N=C(c2ccccc2F)c3cc(Cl)ccc3NC1=O,"InChI=1/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)",C18H14ClFN2O3,,,,,,CUCHJCMWNFEYOM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.987,249-501-8,29199-09-5,"3',6'-bis(diethylamino)-2-(4-nitrophenyl)spiro[1H-isoindole-1,9'-[9H]xanthene]-3(2H)-one","3',6'-bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthen]-3(2H)-one",CCN(CC)c1ccc2c(Oc3cc(ccc3C24N(C(=O)c5ccccc45)c6ccc(cc6)[N+](=O)[O-])N(CC)CC)c1,CCN(CC)c1ccc2c(Oc3cc(ccc3C24N(C(=O)c5ccccc45)c6ccc(cc6)[N+](=O)[O-])N(CC)CC)c1,"InChI=1/C34H34N4O4/c1-5-35(6-2)25-17-19-29-31(21-25)42-32-22-26(36(7-3)8-4)18-20-30(32)34(29)28-12-10-9-11-27(28)33(39)37(34)23-13-15-24(16-14-23)38(40)41/h9-22H,5-8H2,1-4H3",C34H34N4O4,,,,,,XZXFZILEZWXEND-UHFFFAOYSA-N,,,,,,,,,,,
100.044.997,249-512-8,29212-95-1,"4-[3-(4-carboxy-2-hydroxy-1-phenyl-1H-pyrrol-3-yl)allylidene]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid","4-[3-(4-carboxy-2-hydroxy-1-phenyl-1H-pyrrol-3-yl)prop-2-en-1-ylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1=CC=Cc2c(O)n(cc2C(=O)O)c3ccccc3)c4ccccc4,OC(=O)C1=NN(C(=O)C1=CC=Cc2c(O)n(cc2C(=O)O)c3ccccc3)c4ccccc4,"InChI=1/C24H17N3O6/c28-21-17(19(23(30)31)14-26(21)15-8-3-1-4-9-15)12-7-13-18-20(24(32)33)25-27(22(18)29)16-10-5-2-6-11-16/h1-14,28H,(H,30,31)(H,32,33)",C23H16N4O6,,,,,,RGRNZLCJXLJVCN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.998,249-513-3,29213-05-6,"4-allyl-5-(2,6-dihydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione","4-allyl-5-(2,6-dihydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione",Oc1cccc(O)c1C2=NNC(=S)N2CC=C,Oc1cccc(O)c1C2=NNC(=S)N2CC=C,"InChI=1/C11H11N3O2S/c1-2-6-14-10(12-13-11(14)17)9-7(15)4-3-5-8(9)16/h2-5,15-16H,1,6H2,(H,13,17)",C11H11N3O2S,,,,,,PRSZKBOCXPFMMP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.252,244-294-0,21249-59-2,Methyl 3-bromobutyrate,methyl 3-bromobutanoate,COC(=O)CC(C)Br,COC(=O)CC(C)Br,"InChI=1/C5H9BrO2/c1-4(6)3-5(7)8-2/h4H,3H2,1-2H3",C5H9BrO2,,,,,,WJYBMWHJTZBYSO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.254,244-296-1,21256-18-8,Oxaprozin,"3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid",OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3,OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3,"InChI=1/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)",C18H15NO3,,,,,,OFPXSFXSNFPTHF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.257,244-299-8,21260-46-8,Bismuth tris(dimethyldithiocarbamate),"3-[(dimethylcarbamothioyl)sulfanyl]-N,N,6-trimethyl-1,5-dithioxo-2,4-dithia-6-aza-3-bismaheptan-1-amine",CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,"InChI=1/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3/rC9H18BiN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3",C9H18BiN3S6,,,,,,USBHFGNOYVOTON-UHFFFAOYSA-K,,,,,,,,,,,
100.041.898,246-104-1,24238-82-2,"6,10-dimethylundeca-1,5,9-triene","6,10-dimethylundeca-1,5,9-triene",C=CCCC=C(C)CC\\C=C(/C)C,C=CCCC=C(C)CC\C=C(/C)C,"InChI=1/C13H22/c1-5-6-7-10-13(4)11-8-9-12(2)3/h5,9-10H,1,6-8,11H2,2-4H3",C13H22,,,,,,VHIVJUNIYOCPSI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.899,246-105-7,24238-95-7,"Decahydro-5,5,8a-trimethyl-2-naphthyl acetate","5,5,8-trimethyldecahydronaphthalen-2-yl acetate",CC(=O)OC1CCC2C(C1)[C@@H](C)CCC2(C)C,CC(=O)OC1CCC2C(C1)[C@@H](C)CCC2(C)C,"InChI=1/C15H26O2/c1-10-7-8-15(3,4)14-6-5-12(9-13(10)14)17-11(2)16/h10,12-14H,5-9H2,1-4H3",C15H26O2,,,,,,TZLJYASPCSHXJT-ZPQSCOJMSA-N,,,,,,,,,,,
100.039.864,243-867-2,20543-06-0,"Oxalic acid, nickel salt",nickel(2+) oxalate,[Ni+2].[O-]C(=O)C(=O)[O-],[Ni+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Ni/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.xNi,,,,,,DOLZKNFSRCEOFV-UHFFFAOYSA-L,,,,,,,,,,,
100.039.871,243-875-6,20556-89-2,Dibutylbis[(p-tert-butylbenzoyl)oxy]stannane,dibutyl{bis[(4-tert-butylbenzoyl)oxy]}stannane,CCCC[Sn](CCCC)(OC(=O)c1ccc(cc1)C(C)(C)C)OC(=O)c2ccc(cc2)C(C)(C)C,CCCC[Sn](CCCC)(OC(=O)c1ccc(cc1)C(C)(C)C)OC(=O)c2ccc(cc2)C(C)(C)C,"InChI=1/2C11H14O2.2C4H9.Sn/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;2*1-3-4-2;/h2*4-7H,1-3H3,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC30H44O4Sn/c1-9-11-21-35(22-12-10-2,33-27(31)23-13-17-25(18-14-23)29(3,4)5)34-28(32)24-15-19-26(20-16-24)30(6,7)8/h13-20H,9-12,21-22H2,1-8H3",C30H44O4Sn,,,,,,YNCQGWVMWXCNKY-UHFFFAOYSA-L,,,,,,,,,,,
100.041.505,245-671-2,23455-89-2,"Sodium 3-[[[(1,5-dihydro-3-heptadecyl-5-thioxo-4H-1,2,4-triazol-4-yl)amino]carbonyl]amino]benzenesulphonate","sodium 3-{[(3-heptadecyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)carbamoyl]amino}benzenesulfonate",[Na+].CCCCCCCCCCCCCCCCCC1=NNC(=S)N1NC(=O)Nc2cccc(c2)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC1=NNC(=S)N1NC(=O)Nc2cccc(c2)S(=O)(=O)[O-],"InChI=1/C26H43N5O4S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-28-29-26(36)31(24)30-25(32)27-22-18-17-19-23(21-22)37(33,34)35;/h17-19,21H,2-16,20H2,1H3,(H,29,36)(H2,27,30,32)(H,33,34,35);/q;+1/p-1",C26H43N5O4S2.Na,,,,,,CPOQUTNRVYYLIM-UHFFFAOYSA-M,,,,,,,,,,,
100.041.508,245-674-9,23460-76-6,"21-hydroxypregna-4,9(11),16-triene-3,20-dione 21-acetate","3,20-dioxopregna-4,9(11),16-trien-21-yl acetate",CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,"InChI=1/C23H28O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7,9,12,17-18H,4-6,8,10-11,13H2,1-3H3",C23H28O4,,,,,,ZBULDJKFUGQBQC-PTRHGPIFSA-N,,,,,,,,,,,
100.041.509,245-675-4,23464-76-8,Choline stearate,"2-hydroxy-N,N,N-trimethylethanaminium stearate",CCCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)CCO,CCCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)CCO,"InChI=1/C18H36O2.C5H14NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6(2,3)4-5-7/h2-17H2,1H3,(H,19,20);7H,4-5H2,1-3H3/q;+1/p-1",C23H48NO2,,,,,,DVSFNBCMFMEXSU-UHFFFAOYSA-M,,,,,,,,,,,
100.041.511,245-678-0,23468-31-7,6-chloropiperonyl chloride,"5-chloro-6-(chloromethyl)-1,3-benzodioxole",ClCc1cc2OCOc2cc1Cl,ClCc1cc2OCOc2cc1Cl,"InChI=1/C8H6Cl2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2",C8H6Cl2O2,,,,,,APJKOQPCHGXQBI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.525,245-693-2,23495-28-5,"DL-1-(5-chloro-2-(methylamino)phenyl)-1,2,3,4-tetrahydroisoquinoline","4-chloro-N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)aniline",CNc1ccc(Cl)cc1C2NCCc3ccccc23,CNc1ccc(Cl)cc1C2NCCc3ccccc23,"InChI=1/C16H17ClN2/c1-18-15-7-6-12(17)10-14(15)16-13-5-3-2-4-11(13)8-9-19-16/h2-7,10,16,18-19H,8-9H2,1H3",C16H17ClN2,,,,,,XRUIERQCHYNNEP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.526,245-694-8,23499-75-4,N6-oleoyl-L-lysine,N~6~-oleoyl-L-lysine,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,"InChI=1/C24H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29/h9-10,22H,2-8,11-21,25H2,1H3,(H,26,27)(H,28,29)",C24H46N2O3,,,,,,QYANHRRURYBYLY-DYYZXQNHSA-N,,,,,,,,,,,
100.041.527,245-695-3,23500-10-9,N-chloroacetyl-L-proline,1-(chloroacetyl)-L-proline,OC(=O)[C@@H]1CCCN1C(=O)CCl,OC(=O)[C@@H]1CCCN1C(=O)CCl,"InChI=1/C7H10ClNO3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H,11,12)",C7H10ClNO3,,,,,,LXDUOIDIFSKLNB-YFKPBYRVSA-N,,,,,,,,,,,
100.041.532,245-701-4,23503-68-6,2-(methylsulphonyl)-10H-phenothiazine,2-(methylsulfonyl)-10H-phenothiazine,CS(=O)(=O)c1ccc2Sc3ccccc3Nc2c1,CS(=O)(=O)c1ccc2Sc3ccccc3Nc2c1,"InChI=1/C13H11NO2S2/c1-18(15,16)9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)17-13/h2-8,14H,1H3",C13H11NO2S2,,,,,,XMSALNTWEPZQLO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.534,245-704-0,23505-41-1,Pirimiphos-ethyl,"O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-diethyl thiophosphate",CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC,CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC,"InChI=1/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3",C13H24N3O3PS,,,,,,TZBPRYIIJAJUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.489,247-854-2,26629-86-7,4-(isopropyl)-2-[3-(trifluoromethyl)phenyl]morpholine hydrochloride,4-isopropyl-2-[3-(trifluoromethyl)phenyl]morpholine hydrochloride,Cl.CC(C)N1CCOC(C1)c2cccc(c2)C(F)(F)F,Cl.CC(C)N1CCOC(C1)c2cccc(c2)C(F)(F)F,"InChI=1/C14H18F3NO.ClH/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17;/h3-5,8,10,13H,6-7,9H2,1-2H3;1H",C14H18F3NO.ClH,,,,,,XYYSVSLSSDHEGA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.261,244-303-8,21267-14-1,"Tetraethyl 1,4-phenylenebisphosphonate","tetraethyl 1,4-phenylenebis(phosphonate)",CCOP(=O)(OCC)c1ccc(cc1)P(=O)(OCC)OCC,CCOP(=O)(OCC)c1ccc(cc1)P(=O)(OCC)OCC,"InChI=1/C14H24O6P2/c1-5-17-21(15,18-6-2)13-9-11-14(12-10-13)22(16,19-7-3)20-8-4/h9-12H,5-8H2,1-4H3",C14H24O6P2,,,,,,KNUANRUJDWJWGY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.262,244-304-3,21267-72-1,Prynachlor,2-chloro-N-(1-methylprop-2-yn-1-yl)-N-phenylacetamide,CC(C#C)N(C(=O)CCl)c1ccccc1,CC(C#C)N(C(=O)CCl)c1ccccc1,"InChI=1/C12H12ClNO/c1-3-10(2)14(12(15)9-13)11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3",C12H12ClNO,,,,,,DGPBHERUGBOSFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.113,250-741-0,31635-99-1,Disodium dihydroxymalonate,disodium dihydroxymalonate,[Na+].[Na+].OC(O)(C(=O)[O-])C(=O)[O-],[Na+].[Na+].OC(O)(C(=O)[O-])C(=O)[O-],"InChI=1/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2",C3H4O6.2Na,,,,,,HMBGDJCPFGQLIO-UHFFFAOYSA-L,,,,,,,,,,,
100.046.115,250-743-1,31637-97-5,Etofibrate,2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2cccnc2,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2cccnc2,"InChI=1/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3",C18H18ClNO5,,,,,,XXRVYAFBUDSLJX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.123,250-752-0,31654-38-3,N-(DL-2-bromopropionyl)-DL-alanine,N-(2-bromopropanoyl)-L-alanine,C[C@H](NC(=O)C(Br)C)C(O)=O,C[C@H](NC(=O)C(Br)C)C(O)=O,"InChI=1/C6H10BrNO3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)",C6H10BrNO3,,,,,,ADQOGAQFIJCUCU-BKLSDQPFSA-N,,,,,,,,,,,
100.039.878,243-882-4,20565-75-7,"(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine","2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCCC=CCCCCCCCC1=NCCN1CCN,CCCCCCCCC=CCCCCCCCC1=NCCN1CCN,"InChI=1/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h9-10H,2-8,11-21,23H2,1H3",C22H43N3,,,,,,DLIZJCBWTRNYKF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.883,243-888-7,20571-42-0,7-(diethylamino)-2-benzopyrone,7-(diethylamino)-2H-chromen-2-one,CCN(CC)c1ccc2C=CC(=O)Oc2c1,CCN(CC)c1ccc2C=CC(=O)Oc2c1,"InChI=1/C13H15NO2/c1-3-14(4-2)11-7-5-10-6-8-13(15)16-12(10)9-11/h5-9H,3-4H2,1-2H3",C13H15NO2,,,,,,QXAMGWKESXGGNV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.885,243-890-8,20574-50-9,Morantel,"1-methyl-2-[2-(3-methyl-2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine",Cc2ccsc2C=C\\C1=N\\CCCN1C,Cc2ccsc2C=C\C1=N\CCCN1C,"InChI=1/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3",C12H16N2S,,,,,,NVEPPWDVLBMNMB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.886,243-891-3,20577-61-1,Methyl acetopyruvate,"methyl 2,4-dioxopentanoate",COC(=O)C(=O)CC(=O)C,COC(=O)C(=O)CC(=O)C,"InChI=1/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3H2,1-2H3",C6H8O4,,,,,,OMHOEQINEXASKE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.889,243-895-5,20587-61-5,2-(2-hydroxyethoxy)ethyl benzoate,2-(2-hydroxyethoxy)ethyl benzoate,OCCOCCOC(=O)c1ccccc1,OCCOCCOC(=O)c1ccccc1,"InChI=1/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2",C11H14O4,,,,,,DNUPYEDSAQDUSO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.898,243-904-2,20596-91-2,"Acetic acid, uranium(4+) zinc salt",-,[Zn+2].[U+4].CC(=O)[O-],[Zn+2].[U+4].CC(=O)[O-],"InChI=1/C2H4O2.U.Zn/c1-2(3)4;;/h1H3,(H,3,4);;/q;+4;+2/p-1",C2H4O2.xU.xZn,,,,,,HLHGCTOHMMPRDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.039.904,243-911-0,20602-77-1,3-(dimethylamino)propyl methacrylate,3-(dimethylamino)propyl methacrylate,CN(C)CCCOC(=O)C(=C)C,CN(C)CCCOC(=O)C(=C)C,"InChI=1/C9H17NO2/c1-8(2)9(11)12-7-5-6-10(3)4/h1,5-7H2,2-4H3",C9H17NO2,,,,,,WWJCRUKUIQRCGP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.906,243-913-1,20602-83-9,N-(aminocarbonyl)methacrylamide,N-carbamoyl-2-methylacrylamide,CC(=C)C(=O)NC(=O)N,CC(=C)C(=O)NC(=O)N,"InChI=1/C5H8N2O2/c1-3(2)4(8)7-5(6)9/h1H2,2H3,(H3,6,7,8,9)",C5H8N2O2,,,,,,CZGXZAVXMRSVLV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.907,243-914-7,20602-86-2,Dipentyl oxalate,dipentyl oxalate,CCCCCOC(=O)C(=O)OCCCCC,CCCCCOC(=O)C(=O)OCCCCC,"InChI=1/C12H22O4/c1-3-5-7-9-15-11(13)12(14)16-10-8-6-4-2/h3-10H2,1-2H3",C12H22O4,,,,,,XAHVPYNDLCTDTE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.537,243-506-9,20082-71-7,Chlorodimethylpentafluorophenylsilane,chloro(dimethyl)(pentafluorophenyl)silane,C[Si](C)(Cl)c1c(F)c(F)c(F)c(F)c1F,C[Si](C)(Cl)c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3",C8H6ClF5Si,,,,,,PQRFRTCWNCVQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.545,243-515-8,20103-33-7,"2-henicosyl-(5H)-oxazole-4,4-dimethanol","(2-henicosyl-4,5-dihydro-1,3-oxazole-4,4-diyl)dimethanol",CCCCCCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1,CCCCCCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1,"InChI=1/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-27-26(22-28,23-29)24-30-25/h28-29H,2-24H2,1H3",C26H51NO3,,,,,,VZYJMLILGOPULB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.549,243-520-5,20112-79-2,"4,5-dihydro-2-(methylthio)-1H-imidazole","2-(methylsulfanyl)-4,5-dihydro-1H-imidazole",CSC1=NCCN1,CSC1=NCCN1,"InChI=1/C4H8N2S/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)",C4H8N2S,,,,,,MTIMDGQILFWMJI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.737,244-827-7,22185-75-7,N-[3-(diethylamino)phenyl]propionamide,N-[3-(diethylamino)phenyl]propanamide,CCN(CC)c1cccc(NC(=O)CC)c1,CCN(CC)c1cccc(NC(=O)CC)c1,"InChI=1/C13H20N2O/c1-4-13(16)14-11-8-7-9-12(10-11)15(5-2)6-3/h7-10H,4-6H2,1-3H3,(H,14,16)",C13H20N2O,,,,,,WEAJAFRCXNDNBY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.740,244-830-3,22194-13-4,"(R*,S*)-cinnamyl(ß-hydroxy-a-methylphenethyl)methylammonium chloride",N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-3-phenylprop-2-en-1-aminium chloride,[Cl-].CC(C(O)c1ccccc1)[NH+](C)C\\C=C\\c2ccccc2,[Cl-].CC(C(O)c1ccccc1)[NH+](C)C\C=C\c2ccccc2,"InChI=1/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H",C19H23NO.ClH,,,,,,RSBLYYMNHJDITE-NBYYMMLRSA-N,,,,,,,,,,,
100.040.741,244-831-9,22198-42-1,"1,4-bis(4-chlorobenzoyl)benzene","1,4-phenylenebis[(4-chlorophenyl)methanone]",Clc1ccc(cc1)C(=O)c2ccc(cc2)C(=O)c3ccc(Cl)cc3,Clc1ccc(cc1)C(=O)c2ccc(cc2)C(=O)c3ccc(Cl)cc3,InChI=1/C20H12Cl2O2/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12H,C20H12Cl2O2,,,,,,UJOJIBQOYNBSPY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.317,248-765-1,27987-25-3,Bis(methylcyclohexyl) phthalate,bis(1-methylcyclohexyl) phthalate,CC1(CCCCC1)OC(=O)c2ccccc2C(=O)OC3(C)CCCCC3,CC1(CCCCC1)OC(=O)c2ccccc2C(=O)OC3(C)CCCCC3,"InChI=1/C22H30O4/c1-21(13-7-3-8-14-21)25-19(23)17-11-5-6-12-18(17)20(24)26-22(2)15-9-4-10-16-22/h5-6,11-12H,3-4,7-10,13-16H2,1-2H3",C22H30O4,,,,,,LBKFHGHXATXEBY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.320,248-768-8,27998-60-3,[(2-chloroethyl)sulphinyl]benzene,[(2-chloroethyl)sulfinyl]benzene,ClCCS(=O)c1ccccc1,ClCCS(=O)c1ccccc1,"InChI=1/C8H9ClOS/c9-6-7-11(10)8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9ClOS,,,,,,XNUCQTSEDXYZCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.328,248-777-7,28015-99-8,Magnesium bis(dinonylnaphthalenesulphonate),"magnesium bis(2,3-dinonylnaphthalene-1-sulfonate)",[Mg+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-],[Mg+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-],"InChI=1/2C28H44O3S.Mg/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2",C28H44O3S.1/2Mg,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18041,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.328,QGEKBXUETMOETP-UHFFFAOYSA-L,,,,,,,,,,,
100.044.339,248-789-2,28029-54-1,Manganese dinicotinate,manganese(2+) dinicotinate,[Mn+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2,[Mn+2].[O-]C(=O)c1cccnc1.[O-]C(=O)c2cccnc2,"InChI=1/2C6H5NO2.Mn/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2",C6H5NO2.1/2Mn,,,,,,DGCVKTDQGSVWLG-UHFFFAOYSA-L,,,,,,,,,,,
100.044.344,248-795-5,28044-44-2,"1-[(pyrrolidin-1-ylcarbonyl)methyl]-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate","1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazine but-2-enedioate",COc1cc(\\C=C\\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.OC(=O)\\C=C/C(=O)O,COc1cc(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.OC(=O)\C=C/C(=O)O,"InChI=1/C22H31N3O5.C4H4O4/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;5-3(6)1-2-4(7)8/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C22H31N3O5.xC4H4O4,,,,,,XSTJTOKYCAJVMJ-GVTSEVKNSA-N,,,,,,,,,,,
100.044.345,248-796-0,28045-77-4,6-ethylcoumarin,6-ethyl-2H-chromen-2-one,CCc1ccc2OC(=O)C=Cc2c1,CCc1ccc2OC(=O)C=Cc2c1,"InChI=1/C11H10O2/c1-2-8-3-5-10-9(7-8)4-6-11(12)13-10/h3-7H,2H2,1H3",C11H10O2,,,,,,SBZIILXFKTXDCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.349,248-800-0,28052-84-8,DL-5-methoxytryptophan,5-methoxy-L-tryptophan,COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1,COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1,"InChI=1/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)",C12H14N2O3,,,,,,KVNPSKDDJARYKK-JTQLQIEISA-N,,,,,,,,,,,
100.044.355,248-806-3,28059-64-5,2-benzylaniline,2-benzylaniline,Nc1ccccc1Cc2ccccc2,Nc1ccccc1Cc2ccccc2,"InChI=1/C13H13N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10,14H2",C13H13N,,,,,,DWOBGCPUQNFAFB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.356,248-807-9,28060-90-4,"Oleic acid, ester with hydroxypropanediyl diacetate","2,3-diacetoxypropyl octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C,CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C,"InChI=1/C25H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h11-12,24H,4-10,13-21H2,1-3H3",C25H44O6,,,,,,KXLSJQTXSAYFDL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.358,248-810-5,28061-21-4,(chloromethyl)dodecylbenzene,[1-(chloromethyl)dodecyl]benzene,CCCCCCCCCCCC(CCl)c1ccccc1,CCCCCCCCCCCC(CCl)c1ccccc1,"InChI=1/C19H31Cl/c1-2-3-4-5-6-7-8-9-11-16-19(17-20)18-14-12-10-13-15-18/h10,12-15,19H,2-9,11,16-17H2,1H3",C19H31Cl,,,,,,MNSDXLJNALWHCG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.359,248-811-0,28061-69-0,"N,N-dimethyloctadecenylamine","N,N-dimethyloctadec-1-en-1-amine",CN(C)C=CCCCCCCCCCCCCCCCC,CN(C)C=CCCCCCCCCCCCCCCCC,"InChI=1/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h19-20H,4-18H2,1-3H3",C20H41N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18714,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.359,HPKDERDMYRXMGT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.112,250-740-5,31633-72-4,Methyl 3-methyl-4-oxopiperidine-1-carboxylate,methyl 3-methyl-4-oxopiperidine-1-carboxylate,COC(=O)N1CCC(=O)C(C)C1,COC(=O)N1CCC(=O)C(C)C1,"InChI=1/C8H13NO3/c1-6-5-9(8(11)12-2)4-3-7(6)10/h6H,3-5H2,1-2H3",C8H13NO3,,,,,,JWXGBLNGCIGLBH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.114,250-742-6,31636-06-3,Chromium(3+) tris(diethyl) tris(phosphate),chromium(3+) tris(diethyl phosphate),CCOP(=O)(OCC)O[Cr](OP(=O)(OCC)OCC)OP(=O)(OCC)OCC,CCOP(=O)(OCC)O[Cr](OP(=O)(OCC)OCC)OP(=O)(OCC)OCC,"InChI=1/3C4H11O4P.Cr/c3*1-3-7-9(5,6)8-4-2;/h3*3-4H2,1-2H3,(H,5,6);/q;;;+3/p-3/rC12H30CrO12P3/c1-7-17-26(14,18-8-2)23-13(24-27(15,19-9-3)20-10-4)25-28(16,21-11-5)22-12-6/h7-12H2,1-6H3",C4H11O4P.1/3Cr,,,,,,PNEDZBLXYVGGRU-UHFFFAOYSA-K,,,,,,,,,,,
100.046.117,250-745-2,31638-89-8,Tris(3-nitrophenyl)phosphine oxide,tris(3-nitrophenyl)phosphine oxide,[O-][N+](=O)c1cccc(c1)P(=O)(c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-],[O-][N+](=O)c1cccc(c1)P(=O)(c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-],"InChI=1/C18H12N3O7P/c22-19(23)13-4-1-7-16(10-13)29(28,17-8-2-5-14(11-17)20(24)25)18-9-3-6-15(12-18)21(26)27/h1-12H",C18H12N3O7P,,,,,,FWOBSCMZCLNISM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.119,250-747-3,31643-14-8,a-(trichloromethyl)benzyl propionate,"2,2,2-trichloro-1-phenylethyl propionate",CCC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,CCC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,"InChI=1/C11H11Cl3O2/c1-2-9(15)16-10(11(12,13)14)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3",C11H11Cl3O2,,,,,,UCXKKRMHRMTKQF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.121,250-749-4,31645-12-2,"Dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, monosodium salt",-,[Na+].O=C1CC(=O)NC(=S)N1,[Na+].O=C1CC(=O)NC(=S)N1,"InChI=1/C4H4N2O2S.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);/q;+1",C4H4N2O2S.Na,,,,,,UZVLHDNOORSKMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.879,243-884-5,20565-76-8,"(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine","N-[2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCC\\C=C/CCCCCCCC1=NCCN1CCNCCN,CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCNCCN,"InChI=1/C24H48N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h9-10,26H,2-8,11-23,25H2,1H3",C24H48N4,,,,,,SYNVBUPZJKYKQJ-KTKRTIGZSA-N,,,,,,,,,,,
100.039.881,243-886-6,20568-80-3,"5'-chloro-3-hydroxy-2',4'-dimethoxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]azo]naphthalene-2-carboxanilide","N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide",COc1cc(OC)c(NC(=O)c2cc3ccccc3c(N=Nc4cc(ccc4OC)C(=O)Nc5ccccc5)c2O)cc1Cl,COc1cc(OC)c(NC(=O)c2cc3ccccc3c(N=Nc4cc(ccc4OC)C(=O)Nc5ccccc5)c2O)cc1Cl,"InChI=1/C33H27ClN4O6/c1-42-27-14-13-20(32(40)35-21-10-5-4-6-11-21)16-26(27)37-38-30-22-12-8-7-9-19(22)15-23(31(30)39)33(41)36-25-17-24(34)28(43-2)18-29(25)44-3/h4-18,39H,1-3H3,(H,35,40)(H,36,41)",C33H27ClN4O6,,,,,,GFUUQWOLOCOGLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.884,243-889-2,20572-37-6,"1,1'-[6-(pyren-2-yl)-1,3,5-triazine-2,4-diyl]bis(2-naphthol)","1,1'-(6-pyren-2-yl-1,3,5-triazine-2,4-diyl)di(2-naphthol)",Oc1ccc2ccccc2c1c3nc(nc(n3)c4c(O)ccc5ccccc45)c6cc7ccc8cccc9ccc(c6)c7c89,Oc1ccc2ccccc2c1c3nc(nc(n3)c4c(O)ccc5ccccc45)c6cc7ccc8cccc9ccc(c6)c7c89,"InChI=1/C39H23N3O2/c43-31-18-16-22-6-1-3-10-29(22)35(31)38-40-37(41-39(42-38)36-30-11-4-2-7-23(30)17-19-32(36)44)28-20-26-14-12-24-8-5-9-25-13-15-27(21-28)34(26)33(24)25/h1-21,43-44H",C39H23N3O2,,,,,,JZVCGHFXWNOTKM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.887,243-892-9,20579-01-5,"Disodium 4,4'-bis[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].Nc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(N)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].Nc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(N)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C32H28N12O6S2.2Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);;/q;2*+1/p-2",C32H28N12O6S2.2Na,,,,,,XTYKHCPNKDNILW-YHPRVSEPSA-L,,,,,,,,,,,
100.039.891,243-897-6,20591-23-5,1-ethyl-2-[3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl]quinolinium iodide,1-ethyl-2-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide,[I-].CC[n+]3c4ccccc4ccc3C=CC=C2/C=C\\N(CC)c1ccccc12,[I-].CC[n+]3c4ccccc4ccc3C=CC=C2/C=C\N(CC)c1ccccc12,"InChI=1/C25H25N2.HI/c1-3-26-19-18-20(23-13-6-8-15-25(23)26)11-9-12-22-17-16-21-10-5-7-14-24(21)27(22)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",C25H25N2.I,,,,,,AIUPVZRNWAATQJ-UHFFFAOYSA-M,,,,,,,,,,,
100.039.893,243-899-7,20592-42-1,"Estra-1,3,5(10),16-tetraene-3,17-diol diacetate","estra-1,3,5(10),16-tetraene-3,17-diyl diacetate",CC(=O)OC1=CC[C@H]2[C@@H]3CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]12C,CC(=O)OC1=CC[C@H]2[C@@H]3CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]12C,"InChI=1/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,9,12,18-20H,4,6,8,10-11H2,1-3H3",C22H26O4,,,,,,KPJNGUPMJAHAND-JBPLPALLSA-N,,,,,,,,,,,
100.039.896,243-902-1,20595-30-6,(E)-m-fluorocinnamic acid,3-(3-fluorophenyl)acrylic acid,OC(=O)\\C=C\\c1cccc(F)c1,OC(=O)\C=C\c1cccc(F)c1,"InChI=1/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)",C9H7FO2,,,,,,RTSIUKMGSDOSTI-SNAWJCMRSA-N,,,,,,,,,,,
100.043.490,247-855-8,26629-87-8,Oxaflozane,4-isopropyl-2-[3-(trifluoromethyl)phenyl]morpholine,CC(C)N1CCOC(C1)c2cccc(c2)C(F)(F)F,CC(C)N1CCOC(C1)c2cccc(c2)C(F)(F)F,"InChI=1/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3",C14H18F3NO,,,,,,FVYUQFQCEOZYHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.497,247-863-1,26637-68-3,Decafluorobis(trifluoromethyl)cyclohexane,"1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-bis(trifluoromethyl)cyclohexane",FC(F)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,FC(F)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1/C8F16/c9-2(10)1(7(19,20)21,8(22,23)24)3(11,12)5(15,16)6(17,18)4(2,13)14",C8F16,,,,,,HWJPHQNEWARZLH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.498,247-864-7,26638-28-8,Methyl pentachlorooctadecanoate,"methyl 2,2,3,3,4-pentachlorooctadecanoate",CCCCCCCCCCCCCCC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(=O)OC,CCCCCCCCCCCCCCC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(=O)OC,"InChI=1/C19H33Cl5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20)18(21,22)19(23,24)17(25)26-2/h16H,3-15H2,1-2H3",C19H33Cl5O2,,,,,,KUTUTRAPYFSPRB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.261,249-804-5,29713-25-5,"Dimethyl 2,2,4-trimethyladipate","dimethyl 2,2,4-trimethylhexanedioate",COC(=O)CC(C)CC(C)(C)C(=O)OC,COC(=O)CC(C)CC(C)(C)C(=O)OC,"InChI=1/C11H20O4/c1-8(6-9(12)14-4)7-11(2,3)10(13)15-5/h8H,6-7H2,1-5H3",C11H20O4,,,,,,UJDNTFQWEQKSCL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.272,249-816-0,29730-06-1,1-[(1-hydroperoxymethylcyclohexyl)dioxy]methylcyclohexan-1-ol,1-({[1-(hydroperoxymethyl)cyclohexyl]peroxy}methyl)cyclohexanol,OOCC1(CCCCC1)OOCC2(O)CCCCC2,OOCC1(CCCCC1)OOCC2(O)CCCCC2,"InChI=1/C14H26O5/c15-13(7-3-1-4-8-13)11-18-19-14(12-17-16)9-5-2-6-10-14/h15-16H,1-12H2",C14H26O5,,,,,,PVLRGQZYXRZWFY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.274,249-818-1,29733-18-4,Diisodecyl glutarate,bis(8-methylnonyl) glutarate,CC(C)CCCCCCCOC(=O)CCCC(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)CCCC(=O)OCCCCCCCC(C)C,"InChI=1/C25H48O4/c1-22(2)16-11-7-5-9-13-20-28-24(26)18-15-19-25(27)29-21-14-10-6-8-12-17-23(3)4/h22-23H,5-21H2,1-4H3",C25H48O4,,,,,,NKTBVFBHWIMHRL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.279,249-823-9,29752-80-5,"N,N-bis(2-hydroxyethyl)hexanamide","N,N-bis(2-hydroxyethyl)hexanamide",CCCCCC(=O)N(CCO)CCO,CCCCCC(=O)N(CCO)CCO,"InChI=1/C10H21NO3/c1-2-3-4-5-10(14)11(6-8-12)7-9-13/h12-13H,2-9H2,1H3",C10H21NO3,,,,,,JTLQQZSDVWPHLD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.282,249-827-0,29759-19-1,2-ethylhexyl epoxyoctadecanoate,2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C26H50O3/c1-4-7-9-10-12-15-19-24-25(29-24)20-16-13-11-14-17-21-26(27)28-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3",C26H50O3,,,,,,PUYRISKXBBQECH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.783,249-277-1,28874-51-3,Sodium 5-oxo-L-prolinate,sodium 5-oxopyrrolidine-2-carboxylate,[Na+].[O-]C(=O)[C@@H]1CCC(=O)N1,[Na+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11670,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.783,CRPCXAMJWCDHFM-DFWYDOINSA-M,,,,,,,,,,,
100.044.789,249-283-4,28880-25-3,Diisooctyl glutarate,bis(6-methylheptyl) glutarate,CC(C)CCCCCOC(=O)CCCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCCC(=O)OCCCCCC(C)C,"InChI=1/C21H40O4/c1-18(2)12-7-5-9-16-24-20(22)14-11-15-21(23)25-17-10-6-8-13-19(3)4/h18-19H,5-17H2,1-4H3",C21H40O4,,,,,,SFNLXSGWZBPIIX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.790,249-285-5,28880-79-7,"Bis[(Z)-docos-13-enoic] acid, diester with glycerol","3-hydroxypropane-1,2-diyl bisdocos-13-enoate",CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC=CCCCCCCCC,"InChI=1/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3",C47H88O5,,,,,,FZERQYTVWAKJPN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.792,249-287-6,28888-24-6,"Bis(2,3-dibromopropyl) chlorophosphate","bis(2,3-dibromopropyl) chlorophosphate",ClP(=O)(OCC(Br)CBr)OCC(Br)CBr,ClP(=O)(OCC(Br)CBr)OCC(Br)CBr,"InChI=1/C6H10Br4ClO3P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2",C6H10Br4ClO3P,,,,,,DVASKQOEUNSJHT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.796,249-291-8,28893-44-9,"1a,2a-epoxycholesta-4,6-dien-3-one","1,2-epoxycholesta-4,6-dien-3-one",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H40O2/c1-16(2)7-6-8-17(3)20-11-12-21-19-10-9-18-15-23(28)24-25(29-24)27(18,5)22(19)13-14-26(20,21)4/h9-10,15-17,19-22,24-25H,6-8,11-14H2,1-5H3",C27H40O2,,,,,,HOSZMOQCLZCHTD-MOXRGVOBSA-N,,,,,,,,,,,
100.044.798,249-293-9,28897-20-3,"6,10-dimethylundeca-1,5,9-trien-4-ol","6,10-dimethylundeca-1,5,9-trien-4-ol",C\\C(C)=C\\CCC(C)=CC(O)CC=C,C\C(C)=C\CCC(C)=CC(O)CC=C,"InChI=1/C13H22O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,8,10,13-14H,1,6-7,9H2,2-4H3",C13H22O,,,,,,BGAGVDYLLDRYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.811,249-307-3,28911-01-5,Triazolam,"8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12,Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12,"InChI=1/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",C17H12Cl2N4,,,,,,JOFWLTCLBGQGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.560,243-532-0,20125-81-9,(E)-oct-2-en-4-ol,oct-2-en-4-ol,CCCCC(O)\\C=C\\C,CCCCC(O)\C=C\C,"InChI=1/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3",C8H16O,,,,,,WGDUEFYADBRNKG-GQCTYLIASA-N,,,,,,,,,,,
100.039.563,243-535-7,20127-07-5,6-oxaspiro[4.5]decan-7-one,6-oxaspiro[4.5]decan-7-one,O=C1CCCC2(CCCC2)O1,O=C1CCCC2(CCCC2)O1,InChI=1/C9H14O2/c10-8-4-3-7-9(11-8)5-1-2-6-9/h1-7H2,C9H14O2,,,,,,CRCMTYCCDWGMDD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.566,243-538-3,20133-93-1,1-chloro-3-(1-naphthyloxy)propan-2-ol,1-chloro-3-(1-naphthyloxy)propan-2-ol,OC(CCl)COc1cccc2ccccc12,OC(CCl)COc1cccc2ccccc12,"InChI=1/C13H13ClO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9H2",C13H13ClO2,,,,,,ZVVJOJMCXYDDEW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.572,243-545-1,20144-45-0,2-(isopropyl)-5-methylcyclohexen-1-yl acetate,2-isopropyl-5-methylcyclohex-1-en-1-yl acetate,CC(C)C1=C(CC(C)CC1)OC(=O)C,CC(C)C1=C(CC(C)CC1)OC(=O)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9H,5-7H2,1-4H3",C12H20O2,,,,,,ACRDFOPYQAGNPS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.573,243-546-7,20153-49-5,Fluorotripentylstannane,fluoro(tripentyl)stannane,CCCCC[Sn](F)(CCCCC)CCCCC,CCCCC[Sn](F)(CCCCC)CCCCC,"InChI=1/3C5H11.FH.Sn/c3*1-3-5-4-2;;/h3*1,3-5H2,2H3;1H;/q;;;;+1/p-1/rC15H33FSn/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3",C15H33FSn,,,,,,KNDYEMGWGHDSDW-UHFFFAOYSA-M,,,,,,,,,,,
100.039.574,243-547-2,20153-50-8,Fluorotrihexylstannane,fluoro(trihexyl)stannane,CCCCCC[Sn](F)(CCCCCC)CCCCCC,CCCCCC[Sn](F)(CCCCCC)CCCCCC,"InChI=1/3C6H13.FH.Sn/c3*1-3-5-6-4-2;;/h3*1,3-6H2,2H3;1H;/q;;;;+1/p-1/rC18H39FSn/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",C18H39FSn,,,,,,VIQZOBIMPYFTNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.039.579,243-553-5,20166-73-8,"3-(dimethylamino)-2,2-dimethylpropyl acrylate","3-(dimethylamino)-2,2-dimethylpropyl acrylate",CN(C)CC(C)(C)COC(=O)C=C,CN(C)CC(C)(C)COC(=O)C=C,"InChI=1/C10H19NO2/c1-6-9(12)13-8-10(2,3)7-11(4)5/h6H,1,7-8H2,2-5H3",C10H19NO2,,,,,,SZWMBBRKRKJARM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.582,243-556-1,20170-32-5,"3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid","3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid",CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C,"InChI=1/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)",C17H26O3,,,,,,WPMYUUITDBHVQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.533,247-902-2,26686-74-8,Cobalt silicate,cobalt(2+) oxosilanediolate,[Co+2].[O-][Si](=O)[O-],[Co+2].[O-][Si](=O)[O-],InChI=1/Co.O3Si/c;1-4(2)3/q+2;-2,Co.xH4O4Si,,,,,,DLZCSDJWWIABKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.534,247-903-8,26692-07-9,Diethyl (4-decyloxy-3-ethoxyanilino)methylenemalonate,diethyl ({[4-(decyloxy)-3-ethoxyphenyl]amino}methylene)malonate,CCCCCCCCCCOc1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1OCC,CCCCCCCCCCOc1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1OCC,"InChI=1/C26H41NO6/c1-5-9-10-11-12-13-14-15-18-33-23-17-16-21(19-24(23)30-6-2)27-20-22(25(28)31-7-3)26(29)32-8-4/h16-17,19-20,27H,5-15,18H2,1-4H3",C26H41NO6,,,,,,IYBVBQKQALCQIP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.536,247-905-9,26692-47-7,"2,2'-[[3-chloro-4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]imino]diethyl diacetate","[(3-chloro-4-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}phenyl)imino]diethane-2,1-diyl diacetate",Clc2cc(ccc2N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,Clc2cc(ccc2N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,"InChI=1/C21H23ClN4O8S/c1-14(27)33-10-8-25(9-11-34-15(2)28)16-4-6-19(18(22)12-16)23-24-20-7-5-17(26(29)30)13-21(20)35(3,31)32/h4-7,12-13H,8-11H2,1-3H3",C21H23ClN4O8S,,,,,,ZWZLLAMBXRZLQM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.548,247-919-5,26718-90-1,Isopropyl icosanoate,isopropyl icosanoate,CCCCCCCCCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22(2)3/h22H,4-21H2,1-3H3",C23H46O2,,,,,,WLMTYYBAGSMBPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.549,247-920-0,26718-91-2,Butyl icosanoate,butyl icosanoate,CCCCCCCCCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h3-23H2,1-2H3",C24H48O2,,,,,,WZRBMKGXBAVSQL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.551,247-922-1,26718-95-6,Isopropyl docosanoate,isopropyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24(2)3/h24H,4-23H2,1-3H3",C25H50O2,,,,,,IZQHTCYPZWOMFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.556,247-927-9,26719-40-4,Ditridecyl azelate,ditridecyl azelaate,CCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCC,"InChI=1/C35H68O4/c1-3-5-7-9-11-13-15-17-19-24-28-32-38-34(36)30-26-22-21-23-27-31-35(37)39-33-29-25-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3",C35H68O4,,,,,,ZOCXJFXOLXCHIM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.044,246-265-8,24448-94-0,"5,5-dimethylbarbituric acid","5,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione",CC1(C)C(=O)NC(=O)NC1=O,CC1(C)C(=O)NC(=O)NC1=O,"InChI=1/C6H8N2O3/c1-6(2)3(9)7-5(11)8-4(6)10/h1-2H3,(H2,7,8,9,10,11)",C6H8N2O3,,,,,,LAOZSCRCYVBSJA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.048,246-270-5,24460-06-8,"2'-amino-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-amino-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(N)cc3C24OC(=O)c5ccccc45)c1,CCN(CC)c1ccc2c(Oc3ccc(N)cc3C24OC(=O)c5ccccc45)c1,"InChI=1/C24H22N2O3/c1-3-26(4-2)16-10-11-19-22(14-16)28-21-12-9-15(25)13-20(21)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,3-4,25H2,1-2H3",C24H22N2O3,,,,,,MBOWATUGNDUMSN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.054,246-276-8,24465-45-0,Ethyl 4-phenylpiperidine-4-carboxylate hydrochloride,ethyl 4-phenylpiperidine-4-carboxylate hydrochloride,Cl.CCOC(=O)C1(CCNCC1)c2ccccc2,Cl.CCOC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C14H19NO2.ClH/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H",C14H19NO2.ClH,,,,,,BBWMASBANDIFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.055,246-277-3,24466-84-0,Heptyl stearate,heptyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC,"InChI=1/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)27-24-22-20-8-6-4-2/h3-24H2,1-2H3",C25H50O2,,,,,,HIKYVKDNGAULJV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.058,246-281-5,24470-78-8,Isopropyltriphenylphosphonium iodide,isopropyl(triphenyl)phosphonium iodide,[I-].CC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[I-].CC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H22P.HI/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1",C21H22P.I,,,,,,HHBXWXJLQYJJBW-UHFFFAOYSA-M,,,,,,,,,,,
100.042.059,246-282-0,24475-56-7,2-(hexylthio)ethanol,2-(hexylsulfanyl)ethanol,CCCCCCSCCO,CCCCCCSCCO,"InChI=1/C8H18OS/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3",C8H18OS,,,,,,ZMGLDPZVDZFNLE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.062,246-285-7,24488-95-7,N-[1-[4-(aminosulphonyl)phenyl]ethyl]-5-methylisoxazole-3-carboxamide,5-methyl-N-[1-(4-sulfamoylphenyl)ethyl]isoxazole-3-carboxamide,CC(NC(=O)c1cc(C)on1)c2ccc(cc2)S(=O)(=O)N,CC(NC(=O)c1cc(C)on1)c2ccc(cc2)S(=O)(=O)N,"InChI=1/C13H15N3O4S/c1-8-7-12(16-20-8)13(17)15-9(2)10-3-5-11(6-4-10)21(14,18)19/h3-7,9H,1-2H3,(H,15,17)(H2,14,18,19)",C13H15N3O4S,,,,,,HIPMCUXNGJSHNU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.067,246-290-4,24508-01-8,"Estra-1,3,5(10),7-tetraene-3,17ß-diol 3-acetate","17-hydroxyestra-1,3,5(10),7-tetraen-3-yl acetate",CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4C3=CCc2c1,CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4C3=CCc2c1,"InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4-6,11,16,18-19,22H,3,7-10H2,1-2H3",C20H24O3,,,,,,RVWUTTUZKJOUDV-GTAWCEEGSA-N,,,,,,,,,,,
100.042.068,246-292-5,24516-39-0,Cholest-5-en-3ß-yl (Z)-13-docosenoate,cholest-5-en-3-yl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3",C49H86O2,,,,,,SQHUGNAFKZZXOT-QXAJUEOOSA-N,,,,,,,,,,,
100.045.792,250-387-7,30914-08-0,Diethylgallium chloride,diethylgallium(1+) chloride,[Cl-].CC[Ga+]CC,[Cl-].CC[Ga+]CC,"InChI=1/2C2H5.ClH.Ga/c2*1-2;;/h2*1H2,2H3;1H;/q;;;+1/p-1/rC4H10Ga.ClH/c1-3-5-4-2;/h3-4H2,1-2H3;1H/q+1;/p-1",C4H10ClGa,,,,,,NVPKNAWBPMTMLA-UHFFFAOYSA-M,,,,,,,,,,,
100.045.799,250-395-0,30930-49-5,Bis(2-thienylcarbonyl) peroxide,di-2-thienylperoxyanhydride,O=C(OOC(=O)c1cccs1)c2cccs2,O=C(OOC(=O)c1cccs1)c2cccs2,InChI=1/C10H6O4S2/c11-9(7-3-1-5-15-7)13-14-10(12)8-4-2-6-16-8/h1-6H,C10H6O4S2,,,,,,UGAYSOYUISAMLO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.810,250-406-9,30968-43-5,"2-(heptadecenyl)-4,5-dihydro-1H-imidazole","2-heptadec-1-en-1-yl-4,5-dihydro-1H-imidazole",CCCCCCCCCCCCCCCC=CC=1NCCN=1,CCCCCCCCCCCCCCCC=CC=1NCCN=1,"InChI=1/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h16-17H,2-15,18-19H2,1H3,(H,21,22)",C20H38N2,,,,,,WTWXRUVQOJGXHP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.811,250-407-4,30977-64-1,Calcium bis(nonylphenolate),calcium bis(2-nonylphenolate),[Ca+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],[Ca+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],"InChI=1/2C15H24O.Ca/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2",C15H24O.1/2Ca,,,,,,MNLGVQYZYLJHCW-UHFFFAOYSA-L,,,,,,,,,,,
100.045.812,250-409-5,30979-39-6,"4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetic acid","(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetic acid",CC1=NN(CC(=O)O)C(=O)C1,CC1=NN(CC(=O)O)C(=O)C1,"InChI=1/C6H8N2O3/c1-4-2-5(9)8(7-4)3-6(10)11/h2-3H2,1H3,(H,10,11)",C6H8N2O3,,,,,,ZWFRIMXKUMZUJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.813,250-410-0,30979-48-7,N-isobutyl-2-oxoimidazolidine-1-carboxamide,N-isobutyl-2-oxoimidazolidine-1-carboxamide,CC(C)CNC(=O)N1CCNC1=O,CC(C)CNC(=O)N1CCNC1=O,"InChI=1/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)",C8H15N3O2,,,,,,SBYAVOHNDJTVPA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.897,243-903-7,20596-34-3,Dihydrogen hexabromoplatinate,hexabromoplatinate(2-),Br[Pt-2](Br)(Br)(Br)(Br)Br,Br[Pt-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.Pt/h6*1H;/q;;;;;;+4/p-6/rBr6Pt/c1-7(2,3,4,5)6/q-2",Br6Pt.2H,,,,,,VOEHEFXBCNCSCK-UHFFFAOYSA-H,,,,,,,,,,,
100.039.902,243-908-4,20601-38-1,"[1,1'-bicyclohexyl]-4,4'-diol","1,1'-bi(cyclohexyl)-4,4'-diol",OC1CCC(CC1)C2CCC(O)CC2,OC1CCC(CC1)C2CCC(O)CC2,"InChI=1/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2",C12H22O2,,,,,,MZXNOAWIRQFYDB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.909,243-916-8,20605-01-0,Diethyl bis(hydroxymethyl)malonate,diethyl bis(hydroxymethyl)malonate,CCOC(=O)C(CO)(CO)C(=O)OCC,CCOC(=O)C(CO)(CO)C(=O)OCC,"InChI=1/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3",C9H16O6,,,,,,WIOHBOKEUIHYIC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.538,243-507-4,20082-91-1,"4,4-diethoxybutan-2-one","4,4-diethoxybutan-2-one",CCOC(CC(=O)C)OCC,CCOC(CC(=O)C)OCC,"InChI=1/C8H16O3/c1-4-10-8(11-5-2)6-7(3)9/h8H,4-6H2,1-3H3",C8H16O3,,,,,,MLNXBDIOCRSFNI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.539,243-509-5,20096-03-1,"3,3-diethyl-5-(hydroxymethyl)pyridine-2,4(1H,3H-dione","3,3-diethyl-5-(hydroxymethyl)pyridine-2,4(1H,3H)-dione",CCC1(CC)C(=O)NC=C(CO)C1=O,CCC1(CC)C(=O)NC=C(CO)C1=O,"InChI=1/C10H15NO3/c1-3-10(4-2)8(13)7(6-12)5-11-9(10)14/h5,12H,3-4,6H2,1-2H3,(H,11,14)",C10H15NO3,,,,,,LRBLMOZKEZGJGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.540,243-510-0,20098-38-8,"1,2,4,5-tetrachloro-3,6-dinitrobenzene","1,2,4,5-tetrachloro-3,6-dinitrobenzene",[O-][N+](=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)[N+](=O)[O-],[O-][N+](=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)[N+](=O)[O-],InChI=1/C6Cl4N2O4/c7-1-2(8)6(12(15)16)4(10)3(9)5(1)11(13)14,C6Cl4N2O4,,,,,,BILGRKOXNIFEIW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.541,243-511-6,20098-48-0,"1,2,3-trichloro-5-nitrobenzene","1,2,3-trichloro-5-nitrobenzene",[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1,[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1,InChI=1/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,C6H2Cl3NO2,,,,,,HHLCSFGOTLUREE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.544,243-514-2,20103-21-3,Sodium 4-hydroxy-6-(methylamino)naphthalene-2-sulphonate,sodium 4-hydroxy-6-(methylamino)naphthalene-2-sulfonate,[Na+].CNc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-],[Na+].CNc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-],"InChI=1/C11H11NO4S.Na/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8;/h2-6,12-13H,1H3,(H,14,15,16);/q;+1/p-1",C11H11NO4S.Na,,,,,,YTSZFECAZXHQIE-UHFFFAOYSA-M,,,,,,,,,,,
100.039.546,243-516-3,20103-35-9,"[2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl]methyl stearate","[2-heptadecyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)COC(=N1)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)COC(=N1)CCCCCCCCCCCCCCCCC,"InChI=1/C40H77NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-41-40(35-42,36-44-38)37-45-39(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-37H2,1-2H3",C40H77NO4,,,,,,DWWUGXOZBYVGJN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.552,243-523-1,20119-28-2,"2-(3,3-dimethyltriazen-1-yl)benzoic acid","2-(3,3-dimethyltriaz-1-en-1-yl)benzoic acid",OC(=O)c1ccccc1N=NN(C)C,OC(=O)c1ccccc1N=NN(C)C,"InChI=1/C9H11N3O2/c1-12(2)11-10-8-6-4-3-5-7(8)9(13)14/h3-6H,1-2H3,(H,13,14)",C9H11N3O2,,,,,,IUQFGMCLWBGIIA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.556,243-527-3,20120-26-7,Methyl a-methyl-4-morpholinepropionate,methyl 2-methyl-3-morpholin-4-ylpropanoate,COC(=O)C(C)CN1CCOCC1,COC(=O)C(C)CN1CCOCC1,"InChI=1/C9H17NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h8H,3-7H2,1-2H3",C9H17NO3,,,,,,KGDDIHUWJWGQDG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.567,243-539-9,20139-54-2,N-(3-chloro-o-tolyl)-3-oxobutyramide,N-(3-chloro-2-methylphenyl)-3-oxobutanamide,CC(=O)CC(=O)Nc1cccc(Cl)c1C,CC(=O)CC(=O)Nc1cccc(Cl)c1C,"InChI=1/C11H12ClNO2/c1-7(14)6-11(15)13-10-5-3-4-9(12)8(10)2/h3-5H,6H2,1-2H3,(H,13,15)",C11H12ClNO2,,,,,,NBLAONBKZUTBFR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.568,243-540-4,20139-55-3,4'-chloro-2'-methylacetoacetanilide,N-(4-chloro-2-methylphenyl)-3-oxobutanamide,Clc1cc(C)c(NC(=O)CC(C)=O)cc1,Clc1cc(C)c(NC(=O)CC(C)=O)cc1,"InChI=1/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)",C11H12ClNO2,,,,,,ODFRAIZRJMUPCP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.571,243-544-6,20142-88-5,(4-nitrophenoxy)acetyl chloride,(4-nitrophenoxy)acetyl chloride,[O-][N+](=O)c1ccc(OCC(=O)Cl)cc1,[O-][N+](=O)c1ccc(OCC(=O)Cl)cc1,"InChI=1/C8H6ClNO4/c9-8(11)5-14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2",C8H6ClNO4,,,,,,FLUYDOVOMDZUEV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.576,243-549-3,20155-05-9,"17ß,19-dihydroxyandrost-4-en-3-one 17-benzoate",19-hydroxy-3-oxoandrost-4-en-17-yl benzoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5,"InChI=1/C26H32O4/c1-25-13-12-22-20(8-7-18-15-19(28)11-14-26(18,22)16-27)21(25)9-10-23(25)30-24(29)17-5-3-2-4-6-17/h2-6,15,20-23,27H,7-14,16H2,1H3",C26H32O4,,,,,,OSPYUOYEOOYDPK-NVRZZMOUSA-N,,,,,,,,,,,
100.039.577,243-550-9,20165-81-5,Diethyl dichloromalonate,diethyl dichloromalonate,CCOC(=O)C(Cl)(Cl)C(=O)OCC,CCOC(=O)C(Cl)(Cl)C(=O)OCC,"InChI=1/C7H10Cl2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3",C7H10Cl2O4,,,,,,QVRUXRSUYSWFJN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.813,249-309-4,28916-38-3,Hex-5-en-3-yn-1-ol,hex-5-en-3-yn-1-ol,OCCC#CC=C,OCCC#CC=C,"InChI=1/C6H8O/c1-2-3-4-5-6-7/h2,7H,1,5-6H2",C6H8O,,,,,,WNMUESKTGKNUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.814,249-311-5,28917-43-3,"3,5-bis(phenylmethoxy)benzoic acid","3,5-bis(benzyloxy)benzoic acid",OC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,OC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,"InChI=1/C21H18O4/c22-21(23)18-11-19(24-14-16-7-3-1-4-8-16)13-20(12-18)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23)",C21H18O4,,,,,,DHQIBPUGSWVDOH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.818,249-315-7,28924-21-2,"3,5-bis(benzyloxy)acetophenone","1-[3,5-bis(benzyloxy)phenyl]ethanone",CC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,CC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,"InChI=1/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3",C22H20O3,,,,,,KOJXGMJOTRYLBD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.820,249-317-8,28928-97-4,"Dihydro-3-(nonenyl)furan-2,5-dione","3-non-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCC,"InChI=1/C13H20O3/c1-2-3-4-5-6-7-8-9-11-10-12(14)16-13(11)15/h8-9,11H,2-7,10H2,1H3",C13H20O3,,,,,,FGQUIQAGZLBOGL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.902,246-108-3,24248-21-3,"Ethyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate","ethyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate",CCOC(=O)c1c(C)onc1c2c(Cl)cccc2Cl,CCOC(=O)c1c(C)onc1c2c(Cl)cccc2Cl,"InChI=1/C13H11Cl2NO3/c1-3-18-13(17)10-7(2)19-16-12(10)11-8(14)5-4-6-9(11)15/h4-6H,3H2,1-2H3",C13H11Cl2NO3,,,,,,FKLYNWKQFIKJCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.908,246-115-1,24271-12-3,Octadecyl docosanoate,octadecyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3",C40H80O2,,,,,,GAQPWOABOQGPKA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.917,246-125-6,24291-45-0,"5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadec-8-ene","5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadec-8-ene",CCCC[Sn](CCCC)(OC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)CCCC)CCCC,CCCC[Sn](CCCC)(OC(=O)C=CC(=O)O[Sn](CCCC)(CCCC)CCCC)CCCC,"InChI=1/C4H4O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC28H56O4Sn2/c1-7-13-21-33(22-14-8-2,23-15-9-3)31-27(29)19-20-28(30)32-34(24-16-10-4,25-17-11-5)26-18-12-6/h19-20H,7-18,21-26H2,1-6H3",C28H56O4Sn2,,,,,,YABTYYUIWFCMDW-UHFFFAOYSA-L,,,,,,,,,,,
100.041.918,246-126-1,24291-51-8,[isopropylidenebis(p-phenyleneoxy)]bis[tributylstannane],"[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(tributylstannane)",CCCC[Sn](CCCC)(CCCC)Oc1ccc(cc1)C(C)(C)c2ccc(O[Sn](CCCC)(CCCC)CCCC)cc2,CCCC[Sn](CCCC)(CCCC)Oc1ccc(cc1)C(C)(C)c2ccc(O[Sn](CCCC)(CCCC)CCCC)cc2,"InChI=1/C15H16O2.6C4H9.2Sn/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;6*1-3-4-2;;/h3-10,16-17H,1-2H3;6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC39H68O2Sn2/c1-9-15-29-42(30-16-10-2,31-17-11-3)40-37-25-21-35(22-26-37)39(7,8)36-23-27-38(28-24-36)41-43(32-18-12-4,33-19-13-5)34-20-14-6/h21-28H,9-20,29-34H2,1-8H3",C39H68O2Sn2,,,,,,TUEGQGMTVUFBHZ-UHFFFAOYSA-L,,,,,,,,,,,
100.041.919,246-127-7,24292-47-5,"[R-(R*,R*)]-2-[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxoethyl stearate",2-{2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy}-2-oxoethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C31H48Cl2N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(36)43-23-28(37)42-22-26(34-31(39)30(32)33)29(38)24-18-20-25(21-19-24)35(40)41/h18-21,26,29-30,38H,2-17,22-23H2,1H3,(H,34,39)",C31H48Cl2N2O8,,,,,,QEFDFGVDVZTFAK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.920,246-128-2,24292-52-2,1-[4-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one,3-hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)acryloyl]-5-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside,COc1ccc(cc1O)C=CC(=O)c2c(O)cc(cc2OC)O[C@@H]4O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O,COc1ccc(cc1O)C=CC(=O)c2c(O)cc(cc2OC)O[C@@H]4O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O,"InChI=1/C29H36O15/c1-12-22(33)24(35)26(37)28(42-12)41-11-20-23(34)25(36)27(38)29(44-20)43-14-9-17(32)21(19(10-14)40-3)15(30)6-4-13-5-7-18(39-2)16(31)8-13/h4-10,12,20,22-29,31-38H,11H2,1-3H3",C29H36O15,,,,,,FDHNLHLOJLLXDH-YQKWYTHGSA-N,,,,,,,,,,,
100.041.923,246-131-9,24293-43-4,"Bis(2-ethylhexyl) 2,2'-thiobisacetate","bis(2-ethylhexyl) 2,2'-sulfanediyldiacetate",CCCCC(CC)COC(=O)CSCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CSCC(=O)OCC(CC)CCCC,"InChI=1/C20H38O4S/c1-5-9-11-17(7-3)13-23-19(21)15-25-16-20(22)24-14-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3",C20H38O4S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10825,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.923,KYWZILPIDASSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.926,246-135-0,24295-35-0,"1,2-diphenylethyl acetate","1,2-diphenylethyl acetate",CC(=O)OC(Cc1ccccc1)c2ccccc2,CC(=O)OC(Cc1ccccc1)c2ccccc2,"InChI=1/C16H16O2/c1-13(17)18-16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3",C16H16O2,,,,,,CYCSDIVVYJWIKD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.557,247-928-4,26719-41-5,Ditetradecyl azelate,ditetradecyl azelaate,CCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/C37H72O4/c1-3-5-7-9-11-13-15-17-19-21-26-30-34-40-36(38)32-28-24-23-25-29-33-37(39)41-35-31-27-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",C37H72O4,,,,,,NUOFABKIKBXCRE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.564,247-936-8,26720-14-9,Ditetradecyl glutarate,ditetradecyl glutarate,CCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/C33H64O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-36-32(34)28-27-29-33(35)37-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",C33H64O4,,,,,,IJAKILMUHVCHPT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.567,247-939-4,26720-20-7,Dipentadecyl adipate,dipentadecyl adipate,CCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCC,"InChI=1/C36H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-39-35(37)31-27-28-32-36(38)40-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",C36H70O4,,,,,,OHRKDLWUOVWNLM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.572,247-945-7,26724-10-7,"1,3-dihydro-1-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde","1-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carbaldehyde",COc1cc(C)c2C(=O)Oc3c(C)cc4C(=O)OC(O)c4c3Oc2c1C=O,COc1cc(C)c2C(=O)Oc3c(C)cc4C(=O)OC(O)c4c3Oc2c1C=O,"InChI=1/C19H14O8/c1-7-5-11(24-3)10(6-20)15-12(7)18(22)26-14-8(2)4-9-13(16(14)25-15)19(23)27-17(9)21/h4-6,19,23H,1-3H3",C19H14O8,,,,,,QCXJLIINTHHTBS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.573,247-946-2,26728-45-0,"Isopropyl 3,7-dimethyloct-6-enoate","isopropyl 3,7-dimethyloct-6-enoate",CC(C)OC(=O)CC(C)CCC=C(C)C,CC(C)OC(=O)CC(C)CCC=C(C)C,"InChI=1/C13H24O2/c1-10(2)7-6-8-12(5)9-13(14)15-11(3)4/h7,11-12H,6,8-9H2,1-5H3",C13H24O2,,,,,,ACFVGWNYKXYWHV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.155,247-487-8,26160-82-7,"2,9,16,23-tetraphenyl-29H,31H-phthalocyanine","2,9,16,23-tetraphenylphthalocyanine",c1ccc(cc1)c2ccc3C4=NC5=NC(=NC6=NC(=NC7=NC(=NC(=N4)c3c2)c8ccc(cc78)c9ccccc9)c%10ccc(cc6%10)c%11ccccc%11)c%12ccc(cc5%12)c%13ccccc%13,c1ccc(cc1)c2ccc3C4=NC5=NC(=NC6=NC(=NC7=NC(=NC(=N4)c3c2)c8ccc(cc78)c9ccccc9)c%10ccc(cc6%10)c%11ccccc%11)c%12ccc(cc5%12)c%13ccccc%13,InChI=1/C56H32N8/c1-5-13-33(14-6-1)37-21-25-41-45(29-37)53-57-49(41)62-54-47-31-39(35-17-9-3-10-18-35)23-27-43(47)51(59-54)64-56-48-32-40(36-19-11-4-12-20-36)24-28-44(48)52(60-56)63-55-46-30-38(34-15-7-2-8-16-34)22-26-42(46)50(58-55)61-53/h1-32H,C56H34N8,,,,,,XCHAVSMOLBKPBW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.164,247-497-2,26171-23-3,Tolmetin,[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid,Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C,Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C,"InChI=1/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",C15H15NO3,,,,,,UPSPUYADGBWSHF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.166,247-499-3,26172-54-3,2-methyl-2H-isothiazol-3-one hydrochloride,2-methylisothiazol-3(2H)-one hydrochloride,Cl.CN1SC=CC1=O,Cl.CN1SC=CC1=O,"InChI=1/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H",C4H5NOS.ClH,,,,,,SJXPQSRCFCPWQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.168,247-501-2,26175-68-8,"4-amino-2,5-dichloro-N,N-dimethylbenzenesulphonamide","4-amino-2,5-dichloro-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1cc(Cl)c(N)cc1Cl,CN(C)S(=O)(=O)c1cc(Cl)c(N)cc1Cl,"InChI=1/C8H10Cl2N2O2S/c1-12(2)15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4H,11H2,1-2H3",C8H10Cl2N2O2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7596,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.168,RVDTXDMZBHZDCD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.169,247-502-8,26177-43-5,3-nitrobenzylammonium hydrochloride,-,Cl.[NH3+]Cc1cccc(c1)[N+](=O)[O-],Cl.[NH3+]Cc1cccc(c1)[N+](=O)[O-],"InChI=1/C7H8N2O2.ClH/c8-5-6-2-1-3-7(4-6)9(10)11;/h1-4H,5,8H2;1H/p+1",C7H8N2O2.ClH,,,,,,DLZXLCHQWOZGSE-UHFFFAOYSA-O,,,,,,,,,,,
100.043.174,247-508-0,26183-13-1,"Menthane, diamino derivative","4-isopropyl-1-methylcyclohexane-1,2-diamine",CC(C)C1CCC(C)(N)C(N)C1,CC(C)C1CCC(C)(N)C(N)C1,"InChI=1/C10H22N2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9H,4-6,11-12H2,1-3H3",C10H22N2,,,,,,XGOKOSVLIDVVSC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.175,247-509-6,26184-88-3,"[2S-[2a,5ß(R*)]]-tetrahydro-a,a,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol",2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl]propan-2-ol,CC1=CCC(CC1)C2(C)CCC(O2)C(C)(C)O,CC1=CCC(CC1)C2(C)CCC(O2)C(C)(C)O,"InChI=1/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3",C15H26O2,,,,,,RKBAYVATPNYHLW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.190,247-525-3,26225-79-6,Ethofumesate,"2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate",CCOC1Oc2ccc(OS(=O)(=O)C)cc2C1(C)C,CCOC1Oc2ccc(OS(=O)(=O)C)cc2C1(C)C,"InChI=1/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3",C13H18O5S,,,,,,IRCMYGHHKLLGHV-UHFFFAOYSA-N,Positive,SM840003;EA011701|EA011702|EA011703|EA011704|EA011705|EA011706|EA011707|EA011708|EA011709|EA011710|EA011711|EA011712|EA011713|EA011714;UF401601|UF401602|UF401603|UF401604,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,121.0648:161.0597:122.0682;259.0638:241.0531:121.0649|259.0636:287.0948:121.0649|121.065:259.0637:161.0599|121.0649:161.0598:162.0676|121.0648:161.0597:133.0648|121.0649:105.07:133.065|105.0699:103.0543:91.0543|259.0636:287.0947:121.0649|121.0649:259.0636:161.0599|121.0649:161.0598:162.0676|121.0649:161.0598:133.0649|121.0649:105.0699:133.0648|105.0699:103.0543:91.0543|259.0636:241.053:121.0649;121.0647:161.0597:133.0648|105.0698:121.0647:103.0542|259.0636:241.053:121.0648|259.0636:121.0648:241.0531,CASMI_2016;Eawag;UFZ,,,,,
100.043.191,247-526-9,26227-54-3,Cyclohexylammonium bromide,cyclohexanaminium bromide,[Br-].[NH3+]C1CCCCC1,[Br-].[NH3+]C1CCCCC1,"InChI=1/C6H13N.BrH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H",C6H13N.BrH,,,,,,QOHWJRRXQPGIQW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.193,247-529-5,26236-17-9,"2,2,4,6-tetrachloro-2,2-dihydro-1,3,5,2-triazaphosphorine","2,2,4,6-tetrachloro-1,2-dihydro-1,3,5,2lambda~5~-triazaphosphinine",ClC1=NC(=NP(Cl)(Cl)N1)Cl,ClC1=NC(=NP(Cl)(Cl)N1)Cl,"InChI=1/C2H2Cl4N3P/c3-1-7-2(4)9-10(5,6)8-1/h10H,(H,7,8,9)",C2Cl4N3P,,,,,,VAQAOFHJZRLVEI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.814,250-411-6,30982-03-7,Isobutyl nonan-1-oate,isobutyl nonanoate,CCCCCCCCC(=O)OCC(C)C,CCCCCCCCC(=O)OCC(C)C,"InChI=1/C13H26O2/c1-4-5-6-7-8-9-10-13(14)15-11-12(2)3/h12H,4-11H2,1-3H3",C13H26O2,,,,,,NVVLMTNIHQHZPR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.818,250-415-8,30984-28-2,"1,1,1-trifluoro-5-methylhexane-2,4-dione","1,1,1-trifluoro-5-methylhexane-2,4-dione",CC(C)C(=O)CC(=O)C(F)(F)F,CC(C)C(=O)CC(=O)C(F)(F)F,"InChI=1/C7H9F3O2/c1-4(2)5(11)3-6(12)7(8,9)10/h4H,3H2,1-2H3",C7H9F3O2,,,,,,LOTZGJDCTDDVCS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.833,250-432-0,31010-60-3,"2-amino-1,4-dihydro-4-oxopteridine-7-carboxylic acid","2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid",NC1=NC(=O)c2ncc(nc2N1)C(=O)O,NC1=NC(=O)c2ncc(nc2N1)C(=O)O,"InChI=1/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)",C7H5N5O3,,,,,,NZLJLZVXWBEGCE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.742,244-832-4,22198-72-7,"4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one monohydrochloride","4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one hydrochloride",Cl.CN1N(C(=O)C(=C1C)N)c2ccccc2,Cl.CN1N(C(=O)C(=C1C)N)c2ccccc2,"InChI=1/C11H13N3O.ClH/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;/h3-7H,12H2,1-2H3;1H",C11H13N3O.ClH,,,,,,UZSCVCWALGRUTR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.745,244-836-6,22202-68-2,Sodium hydrogen 2-oxoglutarate,hydrogen sodium 2-oxopentanedioate,[Na+].[O-]C(=O)CCC(=O)C(=O)[O-],[Na+].[O-]C(=O)CCC(=O)C(=O)[O-],"InChI=1/C5H6O5.Na/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+1/p-2",C5H6O5.Na,,,,,,MOTOGHHLNTXPTI-UHFFFAOYSA-L,,,,,,,,,,,
100.040.748,244-839-2,22204-91-7,Lifibrate,1-methylpiperidin-4-yl bis(4-chlorophenoxy)acetate,CN1CCC(CC1)OC(=O)C(Oc2ccc(Cl)cc2)Oc3ccc(Cl)cc3,CN1CCC(CC1)OC(=O)C(Oc2ccc(Cl)cc2)Oc3ccc(Cl)cc3,"InChI=1/C20H21Cl2NO4/c1-23-12-10-18(11-13-23)25-19(24)20(26-16-6-2-14(21)3-7-16)27-17-8-4-15(22)5-9-17/h2-9,18,20H,10-13H2,1H3",C20H21Cl2NO4,,,,,,QDGIAPPCJRFVEK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.376,246-630-1,25114-81-2,Hexahydro-1H-azepine-1-carbaldehyde,azepane-1-carbaldehyde,O=CN1CCCCCC1,O=CN1CCCCCC1,"InChI=1/C7H13NO/c9-7-8-5-3-1-2-4-6-8/h7H,1-6H2",C7H13NO,,,,,,AIPVTTKYSPOWFO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.380,246-634-3,25122-46-7,"21-chloro-9-fluoro-11ß,17-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-propionate","21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate",CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl,CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl,"InChI=1/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3",C25H32ClFO5,,,,,,CBGUOGMQLZIXBE-XGQKBEPLSA-N,,,,,,,,,,,
100.042.384,246-639-0,25126-32-3,Sincalide,L-alpha-aspartyl-O-sulfo-L-tyrosylmethionylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide,CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N,CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N,"InChI=1/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)",C49H62N10O16S3,,,,,,IZTQOLKUZKXIRV-YRVFCXMDSA-N,,,,,,,,,,,
100.042.386,246-641-1,25131-27-5,Potassium vinyloxybenzenesulphonate,potassium 2-(vinyloxy)benzenesulfonate,[K+].[O-]S(=O)(=O)c1ccccc1OC=C,[K+].[O-]S(=O)(=O)c1ccccc1OC=C,"InChI=1/C8H8O4S.K/c1-2-12-7-5-3-4-6-8(7)13(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1",C8H8O4S.K,,,,,,RWTNDBYQABFGKZ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.392,246-647-4,25137-58-0,"3,7-diaminophenothiazin-5-ium perchlorate","3,7-diaminophenothiazin-5-ium perchlorate",Nc1ccc2nc3ccc(N)cc3[s+]c2c1.[O-]Cl(=O)(=O)=O,Nc1ccc2nc3ccc(N)cc3[s+]c2c1.[O-]Cl(=O)(=O)=O,"InChI=1/C12H10N3S.ClHO4/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;2-1(3,4)5/h1-6H,13-14H2;(H,2,3,4,5)/q+1;/p-1",C12H10N3S.ClO4,,,,,,ZXCLWPMKLDYDDF-UHFFFAOYSA-M,,,,,,,,,,,
100.042.397,246-653-7,25144-78-9,"(2a,6a,11R*)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2,CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2,"InChI=1/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3",C14H19NO,,,,,,DXESFJJJWBHLJX-AVHHSYQXSA-N,,,,,,,,,,,
100.042.400,246-656-3,25149-46-6,"2-[(1,1-dimethylethyl)azo]-2-methylpropiononitrile",2-(tert-butyldiazenyl)-2-methylpropanenitrile,N#CC(C)(C)N=NC(C)(C)C,N#CC(C)(C)N=NC(C)(C)C,"InChI=1/C8H15N3/c1-7(2,3)10-11-8(4,5)6-9/h1-5H3",C8H15N3,,,,,,PYKCEDJHRUUDRK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.537,247-906-4,26694-69-9,"9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphate","9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium ethyl sulfate",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCOS(=O)(=O)[O-],CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCOS(=O)(=O)[O-],"InChI=1/C28H31N2O3.C2H6O4S/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;1-2-6-7(3,4)5/h9-16,29-30H,6-8H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C28H31N2O3.C2H5O4S,,,,,,JQMYOJYEBJFAHA-UHFFFAOYSA-M,,,,,,,,,,,
100.043.543,247-913-2,26717-54-4,4-(p-chlorophenyl)dihydrofuran-2(3H)-one,4-(4-chlorophenyl)dihydrofuran-2(3H)-one,Clc1ccc(cc1)C2COC(=O)C2,Clc1ccc(cc1)C2COC(=O)C2,"InChI=1/C10H9ClO2/c11-9-3-1-7(2-4-9)8-5-10(12)13-6-8/h1-4,8H,5-6H2",C10H9ClO2,,,,,,FJIIHITUMSUKIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.552,247-923-7,26718-96-7,Butyl docosanoate,butyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h3-25H2,1-2H3",C26H52O2,,,,,,SLUTZBDOCDXRSH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.554,247-925-8,26719-07-3,Mercury(2+) chloroacetate,mercury bis(chloroacetate),[Hg+2].[O-]C(=O)CCl.[O-]C(=O)CCl,[Hg+2].[O-]C(=O)CCl.[O-]C(=O)CCl,"InChI=1/2C2H3ClO2.Hg/c2*3-1-2(4)5;/h2*1H2,(H,4,5);/q;;+2/p-2",C2H3ClO2.1/2Hg,,,,,,CJCJEYBMYFRTNX-UHFFFAOYSA-L,,,,,,,,,,,
100.043.559,247-931-0,26719-91-5,Didodecyl glutarate,didodecyl glutarate,CCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCC,"InChI=1/C29H56O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",C29H56O4,,,,,,CSWBDZQGMLFXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.565,247-937-3,26720-15-0,Dipentadecyl glutarate,dipentadecyl glutarate,CCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCC,"InChI=1/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-38-34(36)30-29-31-35(37)39-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3",C35H68O4,,,,,,NPEZJEDWVLVWIP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.568,247-941-5,26720-21-8,Dihexadecyl adipate,dihexadecyl adipate,CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-41-37(39)33-29-30-34-38(40)42-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C38H74O4,,,,,,RQIKFACUZHNEDV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.575,247-948-3,26734-09-8,"3-amino-2,2-dimethylpropan-1-ol","3-amino-2,2-dimethylpropan-1-ol",CC(C)(CN)CO,CC(C)(CN)CO,"InChI=1/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3",C5H13NO,,,,,,FNVOFDGAASRDQY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.577,247-950-4,26739-53-7,"Stearic acid, compound with guanidine (1:1)",octadecanoic acid - guanidine (1:1),CCCCCCCCCCCCCCCCCC(=O)O.NC(=N)N,CCCCCCCCCCCCCCCCCC(=O)O.NC(=N)N,"InChI=1/C18H36O2.CH5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h2-17H2,1H3,(H,19,20);(H5,2,3,4)",C18H36O2.CH5N3,,,,,,NDRMWPVNHDJUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.159,247-492-5,26164-26-1,(S)-(-)-alpha-methoxyphenylacetic acid,methoxy(phenyl)acetic acid,CO[C@H](C(=O)O)c1ccccc1,CO[C@H](C(=O)O)c1ccccc1,"InChI=1/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)",C9H10O3,,,,,,DIWVBIXQCNRCFE-QMMMGPOBSA-N,,,,,,,,,,,
100.043.161,247-494-6,26171-04-0,1-ethyl-2-(nitromethylene)pyrrolidine,1-ethyl-2-(nitromethylene)pyrrolidine,CCN1CCCC1=C[N+]([O-])=O,CCN1CCCC1=C[N+]([O-])=O,"InChI=1/C7H12N2O2/c1-2-8-5-3-4-7(8)6-9(10)11/h6H,2-5H2,1H3",C7H12N2O2,,,,,,MSXAUUYIGJZVTR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.162,247-495-1,26171-05-1,1-methyl-2-(nitromethylene)pyrrolidine,1-methyl-2-(nitromethylene)pyrrolidine,O=[N+]([O-])C=C1CCCN1C,O=[N+]([O-])C=C1CCCN1C,"InChI=1/C6H10N2O2/c1-7-4-2-3-6(7)5-8(9)10/h5H,2-4H2,1H3",C6H10N2O2,,,,,,BJFPEODODUCJLP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.165,247-498-8,26171-78-8,"[1R-(1a,2ß,5a)]-p-menthyl phenylacetate",2-isopropyl-5-methylcyclohexyl phenylacetate,CC(C)C1CCC(C)CC1OC(=O)Cc2ccccc2,CC(C)C1CCC(C)CC1OC(=O)Cc2ccccc2,"InChI=1/C18H26O2/c1-13(2)16-10-9-14(3)11-17(16)20-18(19)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3",C18H26O2,,,,,,GIFKSWTZIAVRIG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.167,247-500-7,26172-55-4,5-chloro-2-methyl-2H-isothiazol-3-one,5-chloro-2-methylisothiazol-3(2H)-one,CN1SC(=CC1=O)Cl,CN1SC(=CC1=O)Cl,"InChI=1/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3",C4H4ClNOS,,,,,,DHNRXBZYEKSXIM-UHFFFAOYSA-N,Positive,AU214101|AU214102|AU214103|AU214104|AU214105;SM881901;EA028001|EA028002|EA028003|EA028004|EA028005|EA028006|EA028007|EA028008|EA028009|EA028010|EA028011|EA028012|EA028013|EA028014,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,149.9784:151.9754:150.9809|149.9782:151.9752:134.9542|149.9779:134.9544:151.975|134.9548:136.9507:149.9781|134.955;149.9775:115.0087:118.9353;120.9511:149.977:106.9717|149.9775|149.9777|149.9777:115.0088:118.9355|149.9776:115.0088:118.9355|149.9776:115.0087:134.9541|149.9776:134.9541:115.0088|149.9775:134.9537|149.9777|149.9777:115.0088:118.9354|149.9777:115.0088:118.9354|149.9776:115.0087:134.9541|149.9776:134.9541:115.0087|120.951:132.9508:106.9717,Athens_Univ;CASMI_2016;Eawag,,,,,
100.043.170,247-503-3,26177-44-6,4-bromobenzylamine hydrochloride,1-(4-bromophenyl)methanamine hydrochloride,Cl.NCc1ccc(Br)cc1,Cl.NCc1ccc(Br)cc1,"InChI=1/C7H8BrN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H",C7H8BrN.ClH,,,,,,BVYUYDBWQMSOKM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.929,246-138-7,24302-35-0,p-piperidinophenol,4-piperidin-1-ylphenol,Oc1ccc(cc1)N2CCCCC2,Oc1ccc(cc1)N2CCCCC2,"InChI=1/C11H15NO/c13-11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4-7,13H,1-3,8-9H2",C11H15NO,,,,,,FJTDDUIPUAXKSP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.937,246-147-6,24307-26-4,"1,1-dimethylpiperidinium chloride","1,1-dimethylpiperidinium chloride",[Cl-].C[N+]1(C)CCCCC1,[Cl-].C[N+]1(C)CCCCC1,"InChI=1/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1",C7H16N.Cl,,,,,,VHOVSQVSAAQANU-UHFFFAOYSA-M,,,,,,,,,,,
100.041.939,246-149-7,24309-97-5,N-(2-hydroxyethyl)acetoacetamide,N-(2-hydroxyethyl)-3-oxobutanamide,CC(=O)CC(=O)NCCO,CC(=O)CC(=O)NCCO,"InChI=1/C6H11NO3/c1-5(9)4-6(10)7-2-3-8/h8H,2-4H2,1H3,(H,7,10)",C6H11NO3,,,,,,CYLHYHWFVOHKMK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.940,246-150-2,24310-22-3,"[(1,1-dimethylethyl)thio]acetic acid",(tert-butylsulfanyl)acetic acid,CC(C)(C)SCC(=O)O,CC(C)(C)SCC(=O)O,"InChI=1/C6H12O2S/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H,7,8)",C6H12O2S,,,,,,JXOAXKCHGMRTGL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.943,246-153-9,24311-37-3,m-(propionamido)anilinodiethyl diacetate,"{[3-(propionylamino)phenyl]imino}diethane-2,1-diyl diacetate",CCC(=O)Nc1cccc(c1)N(CCOC(=O)C)CCOC(=O)C,CCC(=O)Nc1cccc(c1)N(CCOC(=O)C)CCOC(=O)C,"InChI=1/C17H24N2O5/c1-4-17(22)18-15-6-5-7-16(12-15)19(8-10-23-13(2)20)9-11-24-14(3)21/h5-7,12H,4,8-11H2,1-3H3,(H,18,22)",C17H24N2O5,,,,,,VFMLUXFDWFQZNA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.535,245-705-6,23511-70-8,2-phenoxyethyl butyrate,2-phenoxyethyl butyrate,CCCC(=O)OCCOc1ccccc1,CCCC(=O)OCCOc1ccccc1,"InChI=1/C12H16O3/c1-2-6-12(13)15-10-9-14-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",C12H16O3,,,,,,OOZDRLVUFHSKIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.542,245-712-4,23521-49-5,cis-2-bromovinyl ethyl ether,1-bromo-2-ethoxyethene,CCO\\C=C\\Br,CCO\C=C\Br,"InChI=1/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3",C4H7BrO,,,,,,BCFCTTHZFYZOHT-ONEGZZNKSA-N,,,,,,,,,,,
100.041.548,245-719-2,23532-29-8,"Trisodium 7-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc2cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Nc4cccc(c4)S([O-])(=O)=O)n5,[Na+].[Na+].[Na+].Clc5nc(Nc2cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Nc4cccc(c4)S([O-])(=O)=O)n5,"InChI=1/C25H18ClN7O10S3.3Na/c26-23-29-24(27-14-4-3-5-16(12-14)44(35,36)37)31-25(30-23)28-15-8-9-17-13(10-15)11-20(46(41,42)43)21(22(17)34)33-32-18-6-1-2-7-19(18)45(38,39)40;;;/h1-12,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H2,27,28,29,30,31);;;/q;3*+1/p-3",C25H18ClN7O10S3.3Na,,,,,,OLUKDHJHJDYLGN-UHFFFAOYSA-K,,,,,,,,,,,
100.041.550,245-721-3,23541-09-5,"L-arginine, compound with (R)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-ß-alanine (1:1)","N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine - L-arginine (1:1)",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C9H17NO5.C6H14N4O2/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;7-4(5(11)12)2-1-3-10-6(8)9/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C9H17NO5.C6H14N4O2,,,,,,GRDKQKZEPLXLTJ-JXJGXUGVSA-N,,,,,,,,,,,
100.041.557,245-729-7,23552-75-2,"3-[(9,10-dihydro-4-hydroxy-9,10-dioxoanthryl)amino]-2-methylpropiononitrile","3-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-2-methylpropanenitrile",CC(CNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12)C#N,CC(CNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12)C#N,"InChI=1/C18H14N2O3/c1-10(8-19)9-20-13-6-7-14(21)16-15(13)17(22)11-4-2-3-5-12(11)18(16)23/h2-7,10,20-21H,9H2,1H3",C18H14N2O3,,,,,,QTQLGVMGVQNRMC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.559,245-731-8,23554-16-7,"4-amino-6-[(6-amino-2-hydroxy-4-sulpho-1-naphthyl)azo]-5-hydroxynaphthalene-1,3-disulphonic acid","4-amino-6-[(6-amino-2-hydroxy-4-sulfo-1-naphthyl)diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid",OS(=O)(=O)c4cc(c(N)c3c4ccc(N=Nc1c2ccc(N)cc2c(cc1O)S(O)(=O)=O)c3O)S(O)(=O)=O,OS(=O)(=O)c4cc(c(N)c3c4ccc(N=Nc1c2ccc(N)cc2c(cc1O)S(O)(=O)=O)c3O)S(O)(=O)=O,"InChI=1/C20H16N4O11S3/c21-8-1-2-9-11(5-8)14(36(27,28)29)6-13(25)19(9)24-23-12-4-3-10-15(37(30,31)32)7-16(38(33,34)35)18(22)17(10)20(12)26/h1-7,25-26H,21-22H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)",C20H16N4O11S3,,,,,,DTCBDSOJBSDRPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.568,245-741-2,23564-06-9,Thiophanate,"diethyl (1,2-phenylenedicarbamothioyl)biscarbamate",CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC,CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC,"InChI=1/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)",C14H18N4O4S2,,,,,,YFNCATAIYKQPOO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.571,245-744-9,23567-25-1,L-talose,L-talose,OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O,OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-OMMKOOBNSA-N,,,,,,,,,,,
100.041.578,245-752-2,23580-54-3,5-ethyl-2-propylpyridine,5-ethyl-2-propylpyridine,CCCc1ccc(CC)cn1,CCCc1ccc(CC)cn1,"InChI=1/C10H15N/c1-3-5-10-7-6-9(4-2)8-11-10/h6-8H,3-5H2,1-2H3",C10H15N,,,,,,RGVRNZNGFUAVOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.199,247-535-8,26245-56-7,N-chloroisopropylamine,N-chloropropan-2-amine,CC(C)NCl,CC(C)NCl,"InChI=1/C3H8ClN/c1-3(2)5-4/h3,5H,1-2H3",C3H8ClN,,,,,,IVXCVROGNYFLEO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.920,243-928-3,20633-11-8,Hexyl nitrate,hexyl nitrate,CCCCCCO[N+](=O)[O-],CCCCCCO[N+](=O)[O-],"InChI=1/C6H13NO3/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3",C6H13NO3,,,,,,AGDYNDJUZRMYRG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.943,243-954-5,20664-46-4,(Z)-oct-2-enal,oct-2-enal,CCCCC\\C=C/C=O,CCCCC\C=C/C=O,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3",C8H14O,,,,,,LVBXEMGDVWVTGY-SREVYHEPSA-N,,,,,,,,,,,
100.039.955,243-967-6,20684-06-4,Bamifylline hydrochloride,"8-benzyl-7-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CCN(CCO)CCn1c(Cc2ccccc2)nc3N(C)C(=O)N(C)C(=O)c13,Cl.CCN(CCO)CCn1c(Cc2ccccc2)nc3N(C)C(=O)N(C)C(=O)c13,"InChI=1/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H",C20H27N5O3.ClH,,,,,,PDBXHPORMXSXKO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.959,243-971-8,20686-65-1,"2-methylnaphth[2,1-d]oxazole","2-methylnaphtho[2,1-d][1,3]oxazole",Cc1oc2c(ccc3ccccc23)n1,Cc1oc2c(ccc3ccccc23)n1,"InChI=1/C12H9NO/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7H,1H3",C12H9NO,,,,,,JKYSRHYQAVELLH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.589,243-564-5,20174-73-6,Iron(3+) heptadecanoate,iron(3+) triheptadecanoate,[Fe+3].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],[Fe+3].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C17H34O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h3*2-16H2,1H3,(H,18,19);/q;;;+3/p-3",C17H34O2.1/3Fe,,,,,,MPQXUCJJBFCGHK-UHFFFAOYSA-K,,,,,,,,,,,
100.039.598,243-573-4,20193-20-8,N-ethylpropylamine,N-ethylpropan-1-amine,CCCNCC,CCCNCC,"InChI=1/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3",C5H13N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5403,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.598,XCVNDBIXFPGMIW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.600,243-576-0,20193-94-6,Bis[(p-tolyl)methyl] disulphide,"1,1'-[disulfanediylbis(methylene)]bis(4-methylbenzene)",Cc1ccc(CSSCc2ccc(C)cc2)cc1,Cc1ccc(CSSCc2ccc(C)cc2)cc1,"InChI=1/C16H18S2/c1-13-3-7-15(8-4-13)11-17-18-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3",C16H18S2,,,,,,SNMMLKYSGIFPNG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.601,243-577-6,20194-70-1,1-(tetrahydro-4-methyl-2H-pyran-2-yl)acetone,1-(4-methyltetrahydro-2H-pyran-2-yl)acetone,CC1CCOC(CC(=O)C)C1,CC1CCOC(CC(=O)C)C1,"InChI=1/C9H16O2/c1-7-3-4-11-9(5-7)6-8(2)10/h7,9H,3-6H2,1-2H3",C9H16O2,,,,,,LBOQZBRHNXPXIY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.603,243-579-7,20195-23-7,"Octanoic acid, chromium salt",-,[Cr+2].CCCCCCCC(=O)[O-],[Cr+2].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Cr/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+2/p-1",C8H16O2.xCr,,,,,,WSNOKTOCCSBUGY-UHFFFAOYSA-M,,,,,,,,,,,
100.039.605,243-581-8,20196-21-8,Thiomorpholin-3-one,thiomorpholin-3-one,O=C1CSCCN1,O=C1CSCCN1,"InChI=1/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)",C4H7NOS,,,,,,HBDDRESWUAFAHY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.608,243-584-4,20198-87-2,N-octadecylbenzylamine,N-benzyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNCc1ccccc1,CCCCCCCCCCCCCCCCCCNCc1ccccc1,"InChI=1/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-24-25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3",C25H45N,,,,,,OALZJIBCZVVPBY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.609,243-586-5,20200-22-0,N-methyl-2-nitro-4-(trifluoromethyl)aniline,N-methyl-2-nitro-4-(trifluoromethyl)aniline,CNc1ccc(cc1[N+](=O)[O-])C(F)(F)F,CNc1ccc(cc1[N+](=O)[O-])C(F)(F)F,"InChI=1/C8H7F3N2O2/c1-12-6-3-2-5(8(9,10)11)4-7(6)13(14)15/h2-4,12H,1H3",C8H7F3N2O2,,,,,,WNTLWKOCTHOISL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.614,243-591-2,20203-03-6,Zinc hydroxymethanesulphonate (1:2),zinc bis(hydroxymethanesulfonate),[Zn].OCS(=O)(=O)[O-].OCS(=O)(=O)[O-],[Zn].OCS(=O)(=O)[O-].OCS(=O)(=O)[O-],"InChI=1/2CH4O4S.Zn/c2*2-1-6(3,4)5;/h2*2H,1H2,(H,3,4,5);/q;;+2/p-2",CH4O4S.1/2Zn,,,,,,DUTVQTQNRCCYKA-UHFFFAOYSA-L,,,,,,,,,,,
100.039.618,243-595-4,20207-13-0,4-[(2-aminoethoxy)ethyl]morpholine,2-(1-morpholin-4-ylethoxy)ethanamine,CC(OCCN)N1CCOCC1,CC(OCCN)N1CCOCC1,"InChI=1/C8H18N2O2/c1-8(12-5-2-9)10-3-6-11-7-4-10/h8H,2-7,9H2,1H3",C8H18N2O2,,,,,,XSCLYZJFXYQDAB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.621,243-599-6,20208-73-5,N-(1-oxobutyl)glycine,N-butyrylglycine,CCCC(=O)NCC(=O)O,CCCC(=O)NCC(=O)O,"InChI=1/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)",C6H11NO3,,,,,,WPSSBBPLVMTKRN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.623,243-602-0,20210-73-5,1-amino-4-hydroxy-2-[4-[[(4-methylphenyl)sulphonyl]oxy]phenoxy]anthraquinone,"4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]phenyl 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)Oc2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2,Cc1ccc(cc1)S(=O)(=O)Oc2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2,"InChI=1/C27H19NO7S/c1-15-6-12-18(13-7-15)36(32,33)35-17-10-8-16(9-11-17)34-22-14-21(29)23-24(25(22)28)27(31)20-5-3-2-4-19(20)26(23)30/h2-14,29H,28H2,1H3",C27H19NO7S,,,,,,GFRYADAXOQKIEP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.408,246-665-2,25151-96-6,"2,2-bis(hydroxymethyl)-1,3-propanediyl dioleate","2,2-bis(hydroxymethyl)propane-1,3-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3",C41H76O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11700,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.408,BJXXCOMGRRCAGN-CLFAGFIQSA-N,,,,,,,,,,,
100.042.411,246-668-9,25152-84-5,"trans,trans-2,4-decadien-1-al","deca-2,4-dienal",CCCCC\\C=C\\C=C\\C=O,CCCCC\C=C\C=C\C=O,"InChI=1/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3",C10H16O,,,,,,JZQKTMZYLHNFPL-BLHCBFLLSA-N,,,,,,,,,,,
100.042.412,246-669-4,25152-85-6,(Z)-hex-3-enyl benzoate,hex-3-en-1-yl benzoate,CC\\C=C/CCOC(=O)c1ccccc1,CC\C=C/CCOC(=O)c1ccccc1,"InChI=1/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3",C13H16O2,,,,,,BCOXBEHFBZOJJZ-ARJAWSKDSA-N,,,,,,,,,,,
100.044.366,248-818-9,28069-85-4,"Ethylene bis[[R-[R*,R*]]-12-hydroxyoleate]","ethane-1,2-diyl bis(12-hydroxyoctadec-9-enoate)",CCCCCCC(O)CC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCC(O)CCCCCC,CCCCCCC(O)CC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCC(O)CCCCCC,"InChI=1/C38H70O6/c1-3-5-7-21-27-35(39)29-23-17-13-9-11-15-19-25-31-37(41)43-33-34-44-38(42)32-26-20-16-12-10-14-18-24-30-36(40)28-22-8-6-4-2/h17-18,23-24,35-36,39-40H,3-16,19-22,25-34H2,1-2H3",C38H70O6,,,,,,KLYDMCOWBZVWPA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.367,248-819-4,28070-58-8,"2,2-bis(hydroxymethyl)-1,3-propanediyl bis[(R)-12-hydroxyoleate]","2,2-bis(hydroxymethyl)propane-1,3-diyl bis(12-hydroxyoctadec-9-enoate)",CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C41H76O8/c1-3-5-7-21-27-37(44)29-23-17-13-9-11-15-19-25-31-39(46)48-35-41(33-42,34-43)36-49-40(47)32-26-20-16-12-10-14-18-24-30-38(45)28-22-8-6-4-2/h17-18,23-24,37-38,42-45H,3-16,19-22,25-36H2,1-2H3",C41H76O8,,,,,,QSKPHLWYYSTCMY-HWDNKUKLSA-N,,,,,,,,,,,
100.044.368,248-821-5,28075-29-8,"N-methyl-3,3-diphenylpropylamine","N-methyl-3,3-diphenylpropan-1-amine",CNCCC(c1ccccc1)c2ccccc2,CNCCC(c1ccccc1)c2ccccc2,"InChI=1/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3",C16H19N,,,,,,AKEGHAUFMKCWGX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.371,248-824-1,28080-90-2,"3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]propiononitrile","3-[{4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-3-methylphenyl}(ethyl)amino]propanenitrile",CCN(CCC#N)c3ccc(N=Nc1nc2cc(Cl)c(Cl)cc2s1)c(C)c3,CCN(CCC#N)c3ccc(N=Nc1nc2cc(Cl)c(Cl)cc2s1)c(C)c3,"InChI=1/C19H17Cl2N5S/c1-3-26(8-4-7-22)13-5-6-16(12(2)9-13)24-25-19-23-17-10-14(20)15(21)11-18(17)27-19/h5-6,9-11H,3-4,8H2,1-2H3",C19H17Cl2N5S,,,,,,QPFHNWRKKQLCMG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.372,248-825-7,28084-19-7,Nonyl stearate,nonyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC,"InChI=1/C27H54O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27(28)29-26-24-22-20-10-8-6-4-2/h3-26H2,1-2H3",C27H54O2,,,,,,YPVZSWAJJTUWSN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.373,248-826-2,28084-37-9,"1,3-divinyltetrahydro-1H-pyrimidin-2-one","1,3-divinyltetrahydropyrimidin-2(1H)-one",C=CN1CCCN(C=C)C1=O,C=CN1CCCN(C=C)C1=O,"InChI=1/C8H12N2O/c1-3-9-6-5-7-10(4-2)8(9)11/h3-4H,1-2,5-7H2",C8H12N2O,,,,,,JVGOEGSMSPAINF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.876,250-479-7,31135-57-6,Disodium 2-heptadecyl-1-[(sulphonatophenyl)methyl]-1H-benzimidazolesulphonate,"disodium 5-[(2-heptadecyl-1H-benzimidazol-1-yl)methyl]benzene-1,3-disulfonate",CCCCCCCCCCCCCCCCCc1nc2ccccc2n1Cc3cc(cc(c3)S(=O)(=O)O[Na])S(=O)(=O)O[Na],CCCCCCCCCCCCCCCCCc1nc2ccccc2n1Cc3cc(cc(c3)S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C31H46N2O6S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-32-29-19-17-18-20-30(29)33(31)25-26-22-27(40(34,35)36)24-28(23-26)41(37,38)39;;/h17-20,22-24H,2-16,21,25H2,1H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/rC31H44N2Na2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-32-29-19-17-18-20-30(29)33(31)25-26-22-27(42(36,37)40-34)24-28(23-26)43(38,39)41-35/h17-20,22-24H,2-16,21,25H2,1H3",C31H46N2O6S2.2Na,,,,,,XHUVXHCGXQEGLG-UHFFFAOYSA-L,,,,,,,,,,,
100.045.882,250-486-5,31147-36-1,"(2E,6E)-1,1'-oxybis[3,7-dimethylocta-2,6-diene]","1,1'-oxybis(3,7-dimethylocta-2,6-diene)",CC(=CCC\\C(=C\\COC\\C=C(/C)\\CCC=C(C)C)\\C)C,CC(=CCC\C(=C\COC\C=C(/C)\CCC=C(C)C)\C)C,"InChI=1/C20H34O/c1-17(2)9-7-11-19(5)13-15-21-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3",C20H34O,,,,,,XWRJRXQNOHXIOX-IWGRKNQJSA-N,,,,,,,,,,,
100.045.884,250-488-6,31148-95-5,"[1R-(a,4aß,10aa)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carbonitrile","abieta-8,11,13-triene-18-nitrile",CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C#N)c1,CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C#N)c1,"InChI=1/C20H27N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11H2,1-4H3",C20H27N,,,,,,KSODEYYYINEFHT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.890,250-494-9,31162-45-5,"4-(3-hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol","4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol",CC(O)C#CC1=C(C)CC(O)CC1(C)C,CC(O)C#CC1=C(C)CC(O)CC1(C)C,"InChI=1/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h10-11,14-15H,7-8H2,1-4H3",C13H20O2,,,,,,PJYBCOAMCYWPHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.172,247-505-4,26177-86-6,"D-Fructose, 6-(dihydrogen phosphate), disodium salt",disodium 1-O-phosphonatohex-2-ulose,OCC(O)C(O)C(O)C(=O)COP(=O)(O[Na])O[Na],OCC(O)C(O)C(O)C(=O)COP(=O)(O[Na])O[Na],"InChI=1/C6H13O9P.2Na/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h3,5-8,10-11H,1-2H2,(H2,12,13,14);;/q;2*+1/p-2/rC6H11Na2O9P/c7-16-18(14,17-8)15-2-4(11)6(13)5(12)3(10)1-9/h3,5-6,9-10,12-13H,1-2H2",C6H13O9P.2Na,,,,,,ZWRAEINUXILZBD-UHFFFAOYSA-L,,,,,,,,,,,
100.043.177,247-511-7,26186-02-7,Tridec-1-yne,tridec-1-yne,CCCCCCCCCCCC#C,CCCCCCCCCCCC#C,"InChI=1/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3",C13H24,,,,,,GZEDKDBFUBPZNG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.181,247-515-9,26196-45-2,"2,5-diamino-4-chloronitrobenzene","2-chloro-5-nitrobenzene-1,4-diamine",Nc1cc(c(N)cc1Cl)[N+](=O)[O-],Nc1cc(c(N)cc1Cl)[N+](=O)[O-],"InChI=1/C6H6ClN3O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,8-9H2",C6H6ClN3O2,,,,,,VUNAQOGRLGNALG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.182,247-516-4,26204-60-4,Manganese dipalmitate,manganese(2+) dihexadecanoate,[Mn+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Mn+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Mn,,,,,,ISCCCEPTSPEASH-UHFFFAOYSA-L,,,,,,,,,,,
100.043.184,247-519-0,26215-90-7,Tridecan-4-one,tridecan-4-one,CCCCCCCCCC(=O)CCC,CCCCCCCCCC(=O)CCC,"InChI=1/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3",C13H26O,,,,,,JWSRUPAFLPWLNO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.186,247-521-1,26216-91-1,2-phenylindoline,2-phenylindoline,C1C(Nc2ccccc12)c3ccccc3,C1C(Nc2ccccc12)c3ccccc3,"InChI=1/C14H13N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-9,14-15H,10H2",C14H13N,,,,,,XZPFOJPRFUSEIH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.189,247-524-8,26225-59-2,Mecinarone,"1-{6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-3-(4-methoxyphenyl)prop-2-en-1-one",COc1ccc(cc1)C=CC(=O)c2c(OC)c3ccoc3c(OC)c2OCCN(C)C,COc1ccc(cc1)C=CC(=O)c2c(OC)c3ccoc3c(OC)c2OCCN(C)C,"InChI=1/C24H27NO6/c1-25(2)13-15-31-23-20(19(26)11-8-16-6-9-17(27-3)10-7-16)21(28-4)18-12-14-30-22(18)24(23)29-5/h6-12,14H,13,15H2,1-5H3",C24H27NO6,,,,,,WKEFCGWXBSXUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.196,247-532-1,26244-01-9,"1,2,3,3',3a,4,4',6,7,7a-decahydrospiro[4,7-methano-5H-indene-5,2'-[2H]pyran]","1,2,3,3',3a,4,4',6,7,7a-decahydrospiro[4,7-methanoindene-5,2'-pyran]",C1CC2C3CC(C2C1)C4(CCC=CO4)C3,C1CC2C3CC(C2C1)C4(CCC=CO4)C3,"InChI=1/C14H20O/c1-2-7-15-14(6-1)9-10-8-13(14)12-5-3-4-11(10)12/h2,7,10-13H,1,3-6,8-9H2",C14H20O,,,,,,ARDSHAQGJRDFIU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.197,247-533-7,26244-71-3,N-(2-chloroethyl)-3-oxobutyramide,N-(2-chloroethyl)-3-oxobutanamide,CC(=O)CC(=O)NCCCl,CC(=O)CC(=O)NCCCl,"InChI=1/C6H10ClNO2/c1-5(9)4-6(10)8-3-2-7/h2-4H2,1H3,(H,8,10)",C6H10ClNO2,,,,,,TXICEFBDNMLWRL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.913,243-921-5,20611-81-8,Disodium cyanamide,disodium cyanamide,[Na+].[Na+].NC#N,[Na+].[Na+].NC#N,InChI=1/CH2N2.2Na/c2-1-3;;/h2H2;;/q;2*+1,CH2N2.2Na,,,,,,RMPWNCZXUIYTJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.918,243-926-2,20626-40-8,"Diethyl (E,E)-3,3'-thiobisacrylate","diethyl 3,3'-sulfanediylbisacrylate",CCOC(=O)\\C=C\\S\\C=C\\C(=O)OCC,CCOC(=O)\C=C\S\C=C\C(=O)OCC,"InChI=1/C10H14O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h5-8H,3-4H2,1-2H3",C10H14O4S,,,,,,WXIVZEGISIHXKT-KQQUZDAGSA-N,,,,,,,,,,,
100.039.925,243-934-6,20642-05-1,Potassium formate(1:2),potassium formate(1:2),[KH].[O-]C=O.[O-]C=O,[KH].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.K.H/c2*2-1-3;;/h2*1H,(H,2,3);;/q;;+1;/p-2/r2CH2O2.HK/c2*2-1-3;/h2*1H,(H,2,3);1H/q;;+1/p-2",CH2O2.1/2K,,,,,,OGYUSSNLNGQCRI-UHFFFAOYSA-L,,,,,,,,,,,
100.039.927,243-936-7,20644-06-8,Magnesium strontium diphosphate,magnesium strontium diphosphate,[Mg+2].[Sr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Mg+2].[Sr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Mg.2H3O4P.Sr/c;2*1-5(2,3)4;/h;2*(H3,1,2,3,4);/q+2;;;+2/p-6",H4O7P2.Mg.Sr,,,,,,JSJOSAHXBWLTIZ-UHFFFAOYSA-H,,,,,,,,,,,
100.039.938,243-948-2,20662-32-2,S-(2-aminoethyl)-L-cysteine hydrochloride,N-(2-aminoethyl)-L-cysteine hydrochloride,Cl.NCCN[C@@H](CS)C(=O)O,Cl.NCCN[C@@H](CS)C(=O)O,"InChI=1/C5H12N2O2S.ClH/c6-1-2-7-4(3-10)5(8)9;/h4,7,10H,1-3,6H2,(H,8,9);1H",C5H12N2O2S.xClH,,,,,,PGHAYIZOVBQTIH-WCCKRBBISA-N,,,,,,,,,,,
100.039.940,243-950-3,20662-53-7,4-(2'-oxobenzimidazolin-1'-yl)piperidine,"1-piperidin-4-yl-1,3-dihydro-2H-benzimidazol-2-one",O=C1Nc2ccccc2N1C3CCNCC3,O=C1Nc2ccccc2N1C3CCNCC3,"InChI=1/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)",C12H15N3O,,,,,,BYNBAMHAURJNTR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.942,243-952-4,20662-84-4,"2,4,5-trimethyloxazole","2,4,5-trimethyl-1,3-oxazole",Cc1oc(C)c(C)n1,Cc1oc(C)c(C)n1,InChI=1/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3,C6H9NO,,,,,,ZRLDBDZSLLGDOX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.951,243-962-9,20679-58-7,"2-butene-1,4-diyl bis(bromoacetate)","but-2-ene-1,4-diyl bis(bromoacetate)",BrCC(=O)OCC=CCOC(=O)CBr,BrCC(=O)OCC=CCOC(=O)CBr,"InChI=1/C8H10Br2O4/c9-5-7(11)13-3-1-2-4-14-8(12)6-10/h1-2H,3-6H2",C8H10Br2O4,,,,,,SIHKVAXULDBIIY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.288,249-833-3,29769-70-8,"N-(3,3-diphenylpropyl)pyridin-4-amine monohydrochloride","N-(3,3-diphenylpropyl)pyridin-4-amine hydrochloride",Cl.C(CC(c1ccccc1)c2ccccc2)Nc3ccncc3,Cl.C(CC(c1ccccc1)c2ccccc2)Nc3ccncc3,"InChI=1/C20H20N2.ClH/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19;/h1-12,14-15,20H,13,16H2,(H,21,22);1H",C20H20N2.ClH,,,,,,WQIROGKYJDPOFW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.298,249-844-3,29779-17-7,"Trisodium 7-[[4-chloro-6-[N-(sulphonatomethyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(o-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-({4-chloro-6-[phenyl(sulfonatomethyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Oc1c(N=Nc2ccccc2S(=O)(=O)[O-])c(cc3cc(Nc4nc(Cl)nc(n4)N(CS(=O)(=O)[O-])c5ccccc5)ccc13)S(=O)(=O)[O-],[Na+].[Na+].[Na+].Oc1c(N=Nc2ccccc2S(=O)(=O)[O-])c(cc3cc(Nc4nc(Cl)nc(n4)N(CS(=O)(=O)[O-])c5ccccc5)ccc13)S(=O)(=O)[O-],"InChI=1/C26H20ClN7O10S3.3Na/c27-24-29-25(31-26(30-24)34(14-45(36,37)38)17-6-2-1-3-7-17)28-16-10-11-18-15(12-16)13-21(47(42,43)44)22(23(18)35)33-32-19-8-4-5-9-20(19)46(39,40)41;;;/h1-13,35H,14H2,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3",C26H20ClN7O10S3.3Na,,,,,,URISCLHIRMNPMI-UHFFFAOYSA-K,,,,,,,,,,,
100.045.299,249-845-9,29780-99-2,"2,3,4,5-tetrastearoyl-D-glucitol","2,3,4,5-tetra-O-stearoyl-D-glucitol",CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C78H150O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(81)85-71(69-79)77(87-75(83)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)78(88-76(84)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72(70-80)86-74(82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h71-72,77-80H,5-70H2,1-4H3",C78H150O10,,,,,,CRAKAGLZBUZDON-XJKNBGGJSA-N,,,,,,,,,,,
100.045.307,249-854-8,29797-40-8,Dichloromethylbenzene,(dichloromethyl)benzene,ClC(Cl)c1ccccc1,ClC(Cl)c1ccccc1,"InChI=1/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H",C7H6Cl2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15963,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.307,CAHQGWAXKLQREW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.310,249-857-4,29801-94-3,Potassium phthalate (2:1),dipotassium phthalate,[KH].[KH].[O-]C(=O)c1ccccc1C(=O)[O-],[KH].[KH].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.2K.2H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);;;;/q;2*+1;;/p-2/rC8H6O4.2HK/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H/q;2*+1/p-2",C8H6O4.xK,,,,,,FXRACFKZOZCJSD-UHFFFAOYSA-L,,,,,,,,,,,
100.045.316,249-864-2,29809-14-1,"1,2,3,4-tetrahydro-5-nitronaphthalene","5-nitro-1,2,3,4-tetrahydronaphthalene",[O-][N+](=O)c1cccc2CCCCc12,[O-][N+](=O)c1cccc2CCCCc12,"InChI=1/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2",C10H11NO2,,,,,,VXZHOWCMXKLZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.317,249-865-8,29809-34-5,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20-hentetracontafluoro-20-iodoicosane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20-hentetracontafluoro-20-iodoicosane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C20F41I/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62",C20F41I,,,,,,AQDHOJSLSYFQND-UHFFFAOYSA-N,,,,,,,,,,,
100.045.319,249-867-9,29809-36-7,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22-pentatetracontafluoro-22-iododocosane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22-pentatetracontafluoro-22-iododocosane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C22F45I/c23-1(24,3(27,28)5(31,32)7(35,36)9(39,40)11(43,44)13(47,48)15(51,52)17(55,56)19(59,60)21(63,64)65)2(25,26)4(29,30)6(33,34)8(37,38)10(41,42)12(45,46)14(49,50)16(53,54)18(57,58)20(61,62)22(66,67)68",C22F45I,,,,,,XEPZXQWMUFPPFO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.320,249-868-4,29809-42-5,Thallium hydrogen carbonate,thallium(1+) hydrogen carbonate,[Tl+].[O-]C(=O)[O-],[Tl+].[O-]C(=O)[O-],"InChI=1/CH2O3.Tl/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-2",CH2O3.xTl,,,,,,WEPAFRZQNHIYDM-UHFFFAOYSA-L,,,,,,,,,,,
100.045.326,249-875-2,29816-01-1,N-glycylsarcosine,glycyl-N-methylglycine,CN(CC(=O)O)C(=O)CN,CN(CC(=O)O)C(=O)CN,"InChI=1/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)",C5H10N2O3,,,,,,VYAMLSCELQQRAE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.328,249-877-3,29818-16-4,1-methyl-2-[(1-oxoallyl)oxy]ethyl acetoacetate,2-(acryloyloxy)-1-methylethyl 3-oxobutanoate,CC(COC(=O)C=C)OC(=O)CC(=O)C,CC(COC(=O)C=C)OC(=O)CC(=O)C,"InChI=1/C10H14O5/c1-4-9(12)14-6-8(3)15-10(13)5-7(2)11/h4,8H,1,5-6H2,2-3H3",C10H14O5,,,,,,NGZDFOYYIXAAPC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.581,247-955-1,26748-41-4,tert-butyl peroxyneodecanoate,"tert-butyl 2-ethyl-2,5-dimethylhexaneperoxoate",CCC(C)(CCC(C)C)C(=O)OOC(C)(C)C,CCC(C)(CCC(C)C)C(=O)OOC(C)(C)C,"InChI=1/C14H28O3/c1-8-14(7,10-9-11(2)3)12(15)16-17-13(4,5)6/h11H,8-10H2,1-7H3",C14H28O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13656,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.581,UJPBHKAGZFOZKS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.582,247-956-7,26748-47-0,1-methyl-1-phenylethyl peroxyneodecanoate,"1-methyl-1-phenylethyl 2-ethyl-2,5-dimethylhexaneperoxoate",CCC(C)(CCC(C)C)C(=O)OOC(C)(C)c1ccccc1,CCC(C)(CCC(C)C)C(=O)OOC(C)(C)c1ccccc1,"InChI=1/C19H30O3/c1-7-19(6,14-13-15(2)3)17(20)21-22-18(4,5)16-11-9-8-10-12-16/h8-12,15H,7,13-14H2,1-6H3",C19H30O3,,,,,,UTFZIZRBHWOWMD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.585,247-959-3,26750-66-3,Dipotassium thiocarbonate,dipotassium thiocarbonate,[K+].[K+].[O-]C(=O)[S-],[K+].[K+].[O-]C(=O)[S-],"InChI=1/CH2O2S.2K/c2-1(3)4;;/h4H,(H,2,3);;/q;2*+1/p-2",CH2O2S.2K,,,,,,JOKZZQQDSRIMNE-UHFFFAOYSA-L,,,,,,,,,,,
100.043.587,247-961-4,26754-48-3,"Tetrahydro-2,2-dimethyl-5-oxo-3-furylacetic acid","(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)acetic acid",CC1(C)OC(=O)CC1CC(=O)O,CC1(C)OC(=O)CC1CC(=O)O,"InChI=1/C8H12O4/c1-8(2)5(3-6(9)10)4-7(11)12-8/h5H,3-4H2,1-2H3,(H,9,10)",C8H12O4,,,,,,NQWMPKJASNNZMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.595,247-970-3,26759-50-2,2-[(carboxymethyl)thio]-5-nitrobenzoic acid,2-[(carboxymethyl)sulfanyl]-5-nitrobenzoic acid,OC(=O)CSc1ccc(cc1C(=O)O)[N+](=O)[O-],OC(=O)CSc1ccc(cc1C(=O)O)[N+](=O)[O-],"InChI=1/C9H7NO6S/c11-8(12)4-17-7-2-1-5(10(15)16)3-6(7)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)",C9H7NO6S,,,,,,OHUNNGBOLPPURJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.596,247-971-9,26759-51-3,Methyl 2-[(2-methoxy-2-oxoethyl)thio]-5-nitrobenzoate,methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-nitrobenzoate,COC(=O)CSc1ccc(cc1C(=O)OC)[N+](=O)[O-],COC(=O)CSc1ccc(cc1C(=O)OC)[N+](=O)[O-],"InChI=1/C11H11NO6S/c1-17-10(13)6-19-9-4-3-7(12(15)16)5-8(9)11(14)18-2/h3-5H,6H2,1-2H3",C11H11NO6S,,,,,,PJPCSHBTNKBEBS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.599,247-975-0,26760-64-5,2-methylbutene,2-methylbut-1-ene,CCC(=C)C,CCC(=C)C,"InChI=1/C5H10/c1-4-5(2)3/h2,4H2,1,3H3",C5H10,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12623,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.599,MHNNAWXXUZQSNM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.606,247-982-9,26761-78-4,Butylnaphthalenesulphonic acid,2-butylnaphthalene-1-sulfonic acid,CCCCc1ccc2ccccc2c1S(=O)(=O)O,CCCCc1ccc2ccccc2c1S(=O)(=O)O,"InChI=1/C14H16O3S/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17)",C14H16O3S,,,,,,BMRVLXHIZWDOOK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.608,247-985-5,26762-90-3,Octylphenyl dihydrogen phosphate,2-octylphenyl dihydrogen phosphate,OP(O)(=O)Oc1ccccc1CCCCCCCC,OP(O)(=O)Oc1ccccc1CCCCCCCC,"InChI=1/C14H23O4P/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17)",C14H23O4P,,,,,,RJYDMIMSSMCNIG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.611,247-988-1,26762-93-6,Diisopropylbenzene hydroperoxide,"hydrogen peroxide - 1,2-diisopropylbenzene (1:1)",CC(C)c1ccccc1C(C)C.OO,CC(C)c1ccccc1C(C)C.OO,"InChI=1/C12H18.H2O2/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2/h5-10H,1-4H3;1-2H",C12H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5535,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.611,SPTHWAJJMLCAQF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.612,247-989-7,26763-69-9,Aminoviolanthrone,"2-aminoanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",Nc1ccc2C(=O)c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(c2c1)c3c49)c5c68,Nc1ccc2C(=O)c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(c2c1)c3c49)c5c68,"InChI=1/C34H17NO2/c35-16-5-6-25-28(15-16)23-10-9-20-19-8-7-18-17-3-1-2-4-24(17)33(36)26-13-11-21(29(19)31(18)26)22-12-14-27(34(25)37)32(23)30(20)22/h1-15H,35H2",C34H17NO2,,,,,,VZMULMSIWMLZLC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.617,247-994-4,26771-06-2,"(1S-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid",CC(=CC1[C@H](C(=O)O)C1(C)C)C,CC(=CC1[C@H](C(=O)O)C1(C)C)C,"InChI=1/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)",C10H16O2,,,,,,XLOPRKKSAJMMEW-BRFYHDHCSA-N,,,,,,,,,,,
100.043.618,247-996-5,26771-11-9,"(1R-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid",CC(=CC1[C@@H](C(=O)O)C1(C)C)C,CC(=CC1[C@@H](C(=O)O)C1(C)C)C,"InChI=1/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)",C10H16O2,,,,,,XLOPRKKSAJMMEW-MQWKRIRWSA-N,,,,,,,,,,,
100.043.620,247-998-6,26774-80-1,1-(naphthylsulphonyl)-5-oxo-L-proline,1-(1-naphthylsulfonyl)-5-oxo-L-proline,OC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c2cccc3ccccc23,OC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c2cccc3ccccc23,"InChI=1/C15H13NO5S/c17-14-9-8-12(15(18)19)16(14)22(20,21)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,18,19)",C15H13NO5S,,,,,,CJHLTELXCRYESZ-LBPRGKRZSA-N,,,,,,,,,,,
100.043.622,248-000-1,26774-89-0,"Sodium (R)-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate","sodium cyclohexa-1,4-dien-1-yl[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate",[Na+].COC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\\C=C/CC=1,[Na+].COC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\C=C/CC=1,"InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1",C13H17NO4.Na,,,,,,XWVDGMIXJIIFTO-UTONKHPSSA-M,,,,,,,,,,,
100.045.894,250-499-6,31167-92-7,Dihydro-3-iodofuran-2(3H)-one,3-iododihydrofuran-2(3H)-one,IC1CCOC1=O,IC1CCOC1=O,"InChI=1/C4H5IO2/c5-3-1-2-7-4(3)6/h3H,1-2H2",C4H5IO2,,,,,,CXFBCWNSRKBIJU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.895,250-501-5,31169-63-8,Pentadecane-1-sulphonic acid,pentadecane-1-sulfonic acid,CCCCCCCCCCCCCCCS(=O)(=O)O,CCCCCCCCCCCCCCCS(=O)(=O)O,"InChI=1/C15H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18/h2-15H2,1H3,(H,16,17,18)",C15H32O3S,,,,,,TWBKZBJAVASNII-UHFFFAOYSA-N,,,,,,,,,,,
100.045.900,250-506-2,31186-93-3,Magnesium bis[D-galacturonate],"magnesium bis(2,3,4,5-tetrahydroxy-6-oxohexanoate) (non-preferred name)",[Mg+2].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],[Mg+2].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],"InChI=1/2C6H10O7.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2",C6H10O7.1/2Mg,,,,,,IGOLIOYHVTUECC-PDCYBDDKSA-L,,,,,,,,,,,
100.045.901,250-507-8,31188-91-7,"3-(2-(2,4-di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide","3-({[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl}amino)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide",CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c(c1)C(C)(C)CC,"InChI=1/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)",C34H37Cl3N4O4,,,,,,QDIMMGOJTIUSOA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.084,246-309-6,24549-06-2,6-ethyl-2-toluidine,2-ethyl-6-methylaniline,CCc1cccc(C)c1N,CCc1cccc(C)c1N,"InChI=1/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3",C9H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12644,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.084,JJVKJJNCIILLRP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.085,246-310-1,24556-64-7,"4,5-dibromosalicylanilide","4,5-dibromo-2-hydroxy-N-phenylbenzamide",Oc1cc(Br)c(Br)cc1C(=O)Nc2ccccc2,Oc1cc(Br)c(Br)cc1C(=O)Nc2ccccc2,"InChI=1/C13H9Br2NO2/c14-10-6-9(12(17)7-11(10)15)13(18)16-8-4-2-1-3-5-8/h1-7,17H,(H,16,18)",C13H9Br2NO2,,,,,,NLQGPXRZRKLYEC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.087,246-312-2,24557-04-8,Barium divalerate,barium dipentanoate,[Ba+2].CCCCC(=O)[O-].CCCCC(=O)[O-],[Ba+2].CCCCC(=O)[O-].CCCCC(=O)[O-],"InChI=1/2C5H10O2.Ba/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Ba,,,,,,OZOJSEUUJMZMCQ-UHFFFAOYSA-L,,,,,,,,,,,
100.042.092,246-318-5,24564-52-1,4-(dimethylamino)benzenediazonium tetrafluoroborate,4-(dimethylamino)benzenediazonium tetrafluoroborate,CN(C)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,CN(C)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,"InChI=1/C8H10N3.BF4/c1-11(2)8-5-3-7(10-9)4-6-8;2-1(3,4)5/h3-6H,1-2H3;/q+1;-1",C8H10N3.BF4,,,,,,KLSVPEXDCDPIFD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.099,246-325-3,24577-34-2,Bis[(2-ethyl-1-oxohexyl)oxy]dioctylstannane,bis[(2-ethylhexanoyl)oxy](dioctyl)stannane,CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1/2C8H16O2.2C8H17.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-5-7-8-6-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC32H64O4Sn/c1-7-13-17-19-21-23-27-37(28-24-22-20-18-14-8-2,35-31(33)29(11-5)25-15-9-3)36-32(34)30(12-6)26-16-10-4/h29-30H,7-28H2,1-6H3",C32H64O4Sn,,,,,,QHZLCTYHMCNIMS-UHFFFAOYSA-L,,,,,,,,,,,
100.042.102,246-329-5,24583-23-1,N-carbamoyl-L-cysteine,N-carbamoyl-L-cysteine,NC(=O)N[C@@H](CS)C(=O)O,NC(=O)N[C@@H](CS)C(=O)O,"InChI=1/C4H8N2O3S/c5-4(9)6-2(1-10)3(7)8/h2,10H,1H2,(H,7,8)(H3,5,6,9)",C4H8N2O3S,,,,,,APFSAMXTZRYBKF-REOHCLBHSA-N,,,,,,,,,,,
100.042.115,246-343-1,24599-58-4,"2,5-dimethoxytoluene","1,4-dimethoxy-2-methylbenzene",COc1ccc(OC)c(C)c1,COc1ccc(OC)c(C)c1,"InChI=1/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3",C9H12O2,,,,,,IQISOVKPFBLQIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.116,246-344-7,24600-36-0,N-[3-chloro-2-[[methyl[2-morpholino-2-oxoethyl]amino]methyl]phenyl]benzamide monohydrochloride,N-(3-chloro-2-{[methyl(2-morpholin-4-yl-2-oxoethyl)amino]methyl}phenyl)benzamide hydrochloride,Cl.CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3,Cl.CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3,"InChI=1/C21H24ClN3O3.ClH/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16;/h2-9H,10-15H2,1H3,(H,23,27);1H",C21H24ClN3O3.ClH,,,,,,ZAOHKACVOFGZOI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.120,246-348-9,24605-04-7,Calcium DL-glutamate (1:1),calcium 2-aminopentanedioate,[CaH2].N[C@@H](CCC(=O)[O-])C(=O)[O-],[CaH2].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.Ca.2H/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;;/q;+2;;/p-2/rC5H9NO4.CaH2/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2/q;+2/p-2",C5H9NO4.Ca,,,,,,OYNKLTOWCOSXOC-LHWPGRLPSA-L,,,,,,,,,,,
100.042.121,246-349-4,24605-36-5,"Sodium hydrogen 2-aminobenzene-1,4-disulphonate","sodium hydrogen 2-aminobenzene-1,4-disulfonate",[Na+].Nc1cc(ccc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc(ccc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H7NO6S2.Na/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);/q;+1/p-2",C6H7NO6S2.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11849,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.121,SYFQTIIOWUIZGU-UHFFFAOYSA-L,,,,,,,,,,,
100.039.586,243-560-3,20172-42-3,N-benzylidenedodecylamine,N-benzylidenedodecan-1-amine,CCCCCCCCCCCCN=Cc1ccccc1,CCCCCCCCCCCCN=Cc1ccccc1,"InChI=1/C19H31N/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-19-15-12-11-13-16-19/h11-13,15-16,18H,2-10,14,17H2,1H3",C19H31N,,,,,,RRDJYGJOZRFVNY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.591,243-566-6,20179-35-5,"Disodium 4,4'-bis[[4-[(2-hydroxypropyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxypropyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].COc1nc(NCC(C)O)nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(NCC(C)O)nc(OC)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,[Na+].[Na+].COc1nc(NCC(C)O)nc(Nc2ccc(\C=C\c3ccc(Nc4nc(NCC(C)O)nc(OC)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,"InChI=1/C28H34N10O10S2.2Na/c1-15(39)13-29-23-33-25(37-27(35-23)47-3)31-19-9-7-17(21(11-19)49(41,42)43)5-6-18-8-10-20(12-22(18)50(44,45)46)32-26-34-24(30-14-16(2)40)36-28(38-26)48-4;;/h5-12,15-16,39-40H,13-14H2,1-4H3,(H,41,42,43)(H,44,45,46)(H2,29,31,33,35,37)(H2,30,32,34,36,38);;/q;2*+1/p-2",C28H34N10O10S2.2Na,,,,,,NOGCIQNTOKXBKB-TXOOBNKBSA-L,,,,,,,,,,,
100.039.595,243-570-8,20190-00-5,Dipentaerythritol pentastearate,"3-{3-hydroxy-2,2-bis[(stearoyloxy)methyl]propoxy}-2,2-bis[(stearoyloxy)methyl]propyl stearate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C100H192O12/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81-94(102)108-89-99(86-101,90-109-95(103)82-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)87-107-88-100(91-110-96(104)83-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3,92-111-97(105)84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)93-112-98(106)85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5/h101H,6-93H2,1-5H3",C100H192O12,,,,,,RBZMSAAQBUBBDH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.612,243-589-1,20201-72-3,"2-methoxy-5-(5,6,6-trimethyl-2-norbornyl)phenol","2-methoxy-5-(5,6,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1ccc(cc1O)C2CC3CC2C(C)(C)C3C,COc1ccc(cc1O)C2CC3CC2C(C)(C)C3C,"InChI=1/C17H24O2/c1-10-12-7-13(14(8-12)17(10,2)3)11-5-6-16(19-4)15(18)9-11/h5-6,9-10,12-14,18H,7-8H2,1-4H3",C17H24O2,,,,,,QCAGVVHJLMZTNW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.250,245-392-6,23038-36-0,1-bromo-4-(phenylsulphonyl)benzene,1-bromo-4-(phenylsulfonyl)benzene,Brc1ccc(cc1)S(=O)(=O)c2ccccc2,Brc1ccc(cc1)S(=O)(=O)c2ccccc2,"InChI=1/C12H9BrO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H",C12H9BrO2S,,,,,,WUQDRRXKNVIWIR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.584,247-958-8,26750-50-5,Bis(vinylsulphonylmethyl) ether,"1,1'-[oxybis(methylenesulfonyl)]diethene",C=CS(=O)(=O)COCS(=O)(=O)C=C,C=CS(=O)(=O)COCS(=O)(=O)C=C,"InChI=1/C6H10O5S2/c1-3-12(7,8)5-11-6-13(9,10)4-2/h3-4H,1-2,5-6H2",C6H10O5S2,,,,,,KAMCBFNNGGVPPW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.590,247-965-6,26759-41-1,Methyl 2-[(2-methoxy-2-oxoethyl)sulphonyl]benzoate,methyl 2-[(2-methoxy-2-oxoethyl)sulfonyl]benzoate,COC(=O)CS(=O)(=O)c1ccccc1C(=O)OC,COC(=O)CS(=O)(=O)c1ccccc1C(=O)OC,"InChI=1/C11H12O6S/c1-16-10(12)7-18(14,15)9-6-4-3-5-8(9)11(13)17-2/h3-6H,7H2,1-2H3",C11H12O6S,,,,,,KIAJKXINPPGSJO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.591,247-966-1,26759-42-2,"Methyl 3-methoxybenzo[b]thiophene-3-carboxylate 1,1-dioxide","methyl 3-methoxy-2,3-dihydro-1-benzothiophene-3-carboxylate 1,1-dioxide",COC(=O)C1(CS(=O)(=O)c2ccccc12)OC,COC(=O)C1(CS(=O)(=O)c2ccccc12)OC,"InChI=1/C11H12O5S/c1-15-10(12)11(16-2)7-17(13,14)9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3",C11H10O5S,,,,,,NJUDCBSZRLESKD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.592,247-967-7,26759-46-6,"Methyl 4,5-dimethoxyanthranilate","methyl 2-amino-4,5-dimethoxybenzoate",COC(=O)c1cc(OC)c(OC)cc1N,COC(=O)c1cc(OC)c(OC)cc1N,"InChI=1/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3",C10H13NO4,,,,,,QQFHCCQSCQBKBG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.593,247-968-2,26759-48-8,"Methyl 3-hydroxy-5,6-dimethoxybenzo[b]thiophene-3-carboxylate","methyl 3-hydroxy-5,6-dimethoxy-2,3-dihydro-1-benzothiophene-3-carboxylate",COC(=O)C1(O)CSc2cc(OC)c(OC)cc12,COC(=O)C1(O)CSc2cc(OC)c(OC)cc12,"InChI=1/C12H14O5S/c1-15-8-4-7-10(5-9(8)16-2)18-6-12(7,14)11(13)17-3/h4-5,14H,6H2,1-3H3",C12H12O5S,,,,,,BJJCMORSPADXBG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.597,247-972-4,26759-52-4,Methyl 3-hydroxy-5-nitrobenzo[b]thiophene-3-carboxylate,"methyl 3-hydroxy-5-nitro-2,3-dihydro-1-benzothiophene-3-carboxylate",COC(=O)C1(O)CSc2ccc(cc12)[N+](=O)[O-],COC(=O)C1(O)CSc2ccc(cc12)[N+](=O)[O-],"InChI=1/C10H9NO5S/c1-16-9(12)10(13)5-17-8-3-2-6(11(14)15)4-7(8)10/h2-4,13H,5H2,1H3",C10H7NO5S,,,,,,MZCCUBUNRNTJCU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.603,247-979-2,26761-45-5,"2,3-epoxypropyl neodecanoate","oxiran-2-ylmethyl 2-ethyl-2,5-dimethylhexanoate",CCC(C)(CCC(C)C)C(=O)OCC1CO1,CCC(C)(CCC(C)C)C(=O)OCC1CO1,"InChI=1/C13H24O3/c1-5-13(4,7-6-10(2)3)12(14)16-9-11-8-15-11/h10-11H,5-9H2,1-4H3",C13H24O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1888,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.603,DHEHEJGXTUCSQF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.609,247-986-0,26762-91-4,(allyloxy)tribromobenzene,"1-(allyloxy)-2,3,4-tribromobenzene",Brc1ccc(OCC=C)c(Br)c1Br,Brc1ccc(OCC=C)c(Br)c1Br,"InChI=1/C9H7Br3O/c1-2-5-13-7-4-3-6(10)8(11)9(7)12/h2-4H,1,5H2",C9H7Br3O,,,,,,FJNNYLPBIOZVIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.330,249-879-4,29819-80-5,"1,1,2,2-tetrafluoro-3-(vinyloxy)propane","1,1,2,2-tetrafluoro-3-(vinyloxy)propane",FC(F)C(F)(F)COC=C,FC(F)C(F)(F)COC=C,"InChI=1/C5H6F4O/c1-2-10-3-5(8,9)4(6)7/h2,4H,1,3H2",C5H6F4O,,,,,,ULEAHVRSLJRGPK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.825,249-323-0,28950-61-0,"Tetrasodium 4,4'-bis[[4-morpholino-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N7CCOCC7)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])nc(n2)N8CCOCC8)cc1,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N7CCOCC7)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])nc(n2)N8CCOCC8)cc1,"InChI=1/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4",C40H40N12O14S4.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12043,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.825,UOLRZRKZXIOJRT-MBCFVHIPSA-J,,,,,,,,,,,
100.044.831,249-329-3,28957-72-4,8-benzyl-8-azabicyclo[3.2.1]octan-3-one,8-benzyl-8-azabicyclo[3.2.1]octan-3-one,O=C1CC2CCC(C1)N2Cc3ccccc3,O=C1CC2CCC(C1)N2Cc3ccccc3,"InChI=1/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2",C14H17NO,,,,,,RSUHKGOVXMXCND-UHFFFAOYSA-N,,,,,,,,,,,
100.044.835,249-334-0,28958-28-3,Dysprosium tribromate,dysprosium tribromate,[Dy+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Dy+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Dy/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Dy,,,,,,NZSCDDGIJMDTRN-UHFFFAOYSA-K,,,,,,,,,,,
100.044.837,249-336-1,28958-30-7,Erbium tribromate,erbium tribromate,[Er+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Er+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Er/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Er,,,,,,ZKJZRMMRCZMFBU-UHFFFAOYSA-K,,,,,,,,,,,
100.044.838,249-337-7,28958-31-8,Lutetium tribromate,lutetium tribromate,[Lu+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Lu+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Lu/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Lu,,,,,,YTSGICVGSTUGRM-UHFFFAOYSA-K,,,,,,,,,,,
100.044.844,249-344-5,28972-23-8,Ytterbium tribromate,-,[Yb+2].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Yb+2].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Yb.2H/c3*2-1(3)4;;;/h3*(H,2,3,4);;;/q;;;+2;;/p-3/r3BrHO3.H2Yb/c3*2-1(3)4;/h3*(H,2,3,4);1H2/q;;;+2/p-3",BrHO3.1/3Yb,,,,,,VDDHCRUBEMSBSW-UHFFFAOYSA-K,,,,,,,,,,,
100.044.845,249-345-0,28973-48-0,"(9a,13a,14a)-3-methoxymorphinan-17-carbaldehyde",3-methoxymorphinan-17-carbaldehyde,COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C=O)c2c1,COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C=O)c2c1,"InChI=1/C18H23NO2/c1-21-14-6-5-13-10-17-15-4-2-3-7-18(15,16(13)11-14)8-9-19(17)12-20/h5-6,11-12,15,17H,2-4,7-10H2,1H3",C18H23NO2,,,,,,FZNYYMPPLIJMRC-KBAYOESNSA-N,,,,,,,,,,,
100.044.849,249-349-2,28981-97-7,Alprazolam,"8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12,Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12,"InChI=1/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",C17H13ClN4,,,,,,VREFGVBLTWBCJP-UHFFFAOYSA-N,Positive,AU157006,[M+H]+,CIDRAMP 21.8-32.7,309.091:281.0721:311.0886,Athens_Univ,,,,,
100.044.852,249-352-9,28983-56-4,"Disodium [[4-[bis[4-[(sulphonatophenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonate",-,[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1Nc2ccc(cc2)C(=C3C=CC(=Nc4ccccc4S(=O)(=O)[O-])C=C3)c5ccc(Nc6ccccc6S(=O)(=O)[O-])cc5,[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1Nc2ccc(cc2)C(=C3C=CC(=Nc4ccccc4S(=O)(=O)[O-])C=C3)c5ccc(Nc6ccccc6S(=O)(=O)[O-])cc5,"InChI=1/C37H29N3O9S3.2Na/c41-50(42,43)34-10-4-1-7-31(34)38-28-19-13-25(14-20-28)37(26-15-21-29(22-16-26)39-32-8-2-5-11-35(32)51(44,45)46)27-17-23-30(24-18-27)40-33-9-3-6-12-36(33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-3",C37H29N3O9S3.2Na,,,,,,TUHAIJABPUJAEY-UHFFFAOYSA-K,,,,,,,,,,,
100.044.855,249-356-0,28984-80-7,Trichloroheptafluorobutane,"1,1,1-trichloro-2,2,3,3,4,4,4-heptafluorobutane",FC(F)(F)C(F)(F)C(F)(F)C(Cl)(Cl)Cl,FC(F)(F)C(F)(F)C(F)(F)C(Cl)(Cl)Cl,"InChI=1/C4Cl3F7/c5-3(6,7)1(8,9)2(10,11)4(12,13)14",C4Cl3F7,,,,,,HCRLMIMQLZJAEG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.858,249-359-7,28987-17-9,Barium bis(nonylphenolate),barium bis(2-nonylphenolate),[Ba+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],[Ba+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],"InChI=1/2C15H24O.Ba/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2",C15H24O.1/2Ba,,,,,,SBMJKCDBJMFHGS-UHFFFAOYSA-L,,,,,,,,,,,
100.044.863,249-364-4,29003-73-4,Butyl dichloroacetate,butyl dichloroacetate,CCCCOC(=O)C(Cl)Cl,CCCCOC(=O)C(Cl)Cl,"InChI=1/C6H10Cl2O2/c1-2-3-4-10-6(9)5(7)8/h5H,2-4H2,1H3",C6H10Cl2O2,,,,,,MASXONVJEAXEIV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.868,249-370-7,29018-19-7,2-(dimethylamino)ethyl propionate,2-(dimethylamino)ethyl propionate,CCC(=O)OCCN(C)C,CCC(=O)OCCN(C)C,"InChI=1/C7H15NO2/c1-4-7(9)10-6-5-8(2)3/h4-6H2,1-3H3",C7H15NO2,,,,,,UVSPBAFXKQMDBG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.623,248-001-7,26774-90-3,Epicillin,"6-{[amino(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(=O)O,"InChI=1/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)",C16H21N3O4S,,,,,,RPBAFSBGYDKNRG-NJBDSQKTSA-N,,,,,,,,,,,
100.043.218,247-556-2,26264-05-1,"Dodecylbenzenesulphonic acid, compound with isopropylamine (1:1)",2-dodecylbenzenesulfonic acid - propan-2-amine (1:1),CCCCCCCCCCCCc1ccccc1S(=O)(=O)O.CC(C)N,CCCCCCCCCCCCc1ccccc1S(=O)(=O)O.CC(C)N,"InChI=1/C18H30O3S.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-3(2)4/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);3H,4H2,1-2H3",C18H30O3S.C3H9N,,,,,,UYLNXHPPEWDOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.221,247-559-9,26264-35-7,D-glucitol tristearate,"1,2,3-tri-O-stearoyl-D-glucitol",CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CO,"InChI=1/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-53-55(68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(59(66)54(62)52-61)69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-62,66H,4-53H2,1-3H3",C60H116O9,,,,,,BDQRVGGFQXINNW-LLPUSWRMSA-N,,,,,,,,,,,
100.043.232,247-571-4,26266-68-2,2-ethylhexenal,2-ethylhex-2-enal,CCC(=CCCC)C=O,CCC(=CCCC)C=O,"InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3",C8H14O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6680,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.232,PYLMCYQHBRSDND-UHFFFAOYSA-N,,,,,,,,,,,
100.043.233,247-573-5,26266-76-2,"1-ethyl-2-(heptadecyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate","1-ethyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],"InChI=1/C24H49N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27;1-2-6-7(3,4)5/h27H,3-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C24H47N2O.C2H5O4S,,,,,,KPDCZDUZLORUDD-UHFFFAOYSA-M,,,,,,,,,,,
100.043.234,247-574-0,26266-77-3,"[1R-(1a,4aß,4ba,10aa)]-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol",abiet-8(14)-en-18-ol,CC(C)C1CCC2C(=C1)CCC3C(C)(CO)CCCC23C,CC(C)C1CCC2C(=C1)CCC3C(C)(CO)CCCC23C,"InChI=1/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3",C20H34O,,,,,,FLMIYUXOBAUKJM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.237,247-577-7,26272-76-4,"N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]stearamide","N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]octadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCCCC,"InChI=1/C40H79N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3,(H,42,44)",C40H79N3O,,,,,,GPCJRELNZBJORK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.238,247-578-2,26272-90-2,Hexadecyl chloroformate,hexadecyl chlorocarbonate,CCCCCCCCCCCCCCCCOC(=O)Cl,CCCCCCCCCCCCCCCCOC(=O)Cl,"InChI=1/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3",C17H33ClO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11984,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.238,HOQUWXSARQBQCW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.241,247-581-9,26279-64-1,"2,6-diamino-5H-pyrimidin-4-one","2,6-diaminopyrimidin-4(5H)-one",NC1=NC(=NC(=O)C1)N,NC1=NC(=NC(=O)C1)N,"InChI=1/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H2,(H4,5,6,7,8,9)",C4H6N4O,,,,,,CHSXGZHOMKSJNB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.243,247-584-5,26288-34-6,"Sulphamic acid, sodium salt",sodium sulfamate,[Na+].NS(=O)(=O)[O-],[Na+].NS(=O)(=O)[O-],"InChI=1/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+1/p-1",H3NO3S.xNa,,,,,,QDWYPRSFEZRKDK-UHFFFAOYSA-M,,,,,,,,,,,
100.039.963,243-976-5,20691-53-6,4-tert-butylcyclohexylmethanol,(4-tert-butylcyclohexyl)methanol,CC(C)(C)C1CCC(CO)CC1,CC(C)(C)C1CCC(CO)CC1,"InChI=1/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3",C11H22O,,,,,,GGWBQKOXLMPNMS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.967,243-980-7,20707-94-2,"Dimethyl 3,3'-trithiobispropionate","dimethyl 3,3'-trisulfane-1,3-diyldipropanoate",COC(=O)CCSSSCCC(=O)OC,COC(=O)CCSSSCCC(=O)OC,"InChI=1/C8H14O4S3/c1-11-7(9)3-5-13-15-14-6-4-8(10)12-2/h3-6H2,1-2H3",C8H14O4S3,,,,,,PMGSPGRHLCPBHN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.976,243-990-1,20726-63-0,Diethylammonium acetate,N-ethylethanaminium acetate,CC[NH2+]CC.CC(=O)[O-],CC[NH2+]CC.CC(=O)[O-],"InChI=1/C4H11N.C2H4O2/c1-3-5-4-2;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4)",C4H11N.C2H4O2,,,,,,UEHUZQKLOWYOMO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.979,243-993-8,20728-73-8,"(2R-trans)-2-[3,4-bis(phenylmethoxy)phenyl]-3,4-dihydro-5,7-bis(phenylmethoxy)-2H-1-benzopyran-3-ol","5,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]chroman-3-ol",O[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5,O[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5,"InChI=1/C43H38O6/c44-38-26-37-40(47-29-33-17-9-3-10-18-33)24-36(45-27-31-13-5-1-6-14-31)25-41(37)49-43(38)35-21-22-39(46-28-32-15-7-2-8-16-32)42(23-35)48-30-34-19-11-4-12-20-34/h1-25,38,43-44H,26-30H2",C43H38O6,,,,,,NRJRMFXLQSNZGY-PWPASLGISA-N,,,,,,,,,,,
100.042.123,246-352-0,24610-00-2,2-[[4-[(2-cyanoethyl)(2-phenylethyl)amino]phenyl]azo]-5-nitrobenzonitrile,2-({4-[(2-cyanoethyl)(2-phenylethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile,N#CCCN(CCc1ccccc1)c3ccc(N=Nc2ccc(cc2C#N)[N+]([O-])=O)cc3,N#CCCN(CCc1ccccc1)c3ccc(N=Nc2ccc(cc2C#N)[N+]([O-])=O)cc3,"InChI=1/C24H20N6O2/c25-14-4-15-29(16-13-19-5-2-1-3-6-19)22-9-7-21(8-10-22)27-28-24-12-11-23(30(31)32)17-20(24)18-26/h1-3,5-12,17H,4,13,15-16H2",C24H20N6O2,,,,,,CWNHPGPSJLVQCK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.844,250-444-6,31045-09-7,Ethyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate,ethyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate,CCOC(=O)C1(C)OC12CCCCC2,CCOC(=O)C1(C)OC12CCCCC2,"InChI=1/C11H18O3/c1-3-13-9(12)10(2)11(14-10)7-5-4-6-8-11/h3-8H2,1-2H3",C11H18O3,,,,,,DTSQPPVGQIJERI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.846,250-446-7,31051-75-9,Trimethylsulphinatoammonium,trimethylammoniumsulfinate,C[N+](C)(C)S(=O)[O-],C[N+](C)(C)S(=O)[O-],"InChI=1/C3H9NO2S/c1-4(2,3)7(5)6/h1-3H3",C3H9NO2S,,,,,,FNUGODQUVBJWTP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.853,250-454-0,31078-10-1,"[1S-(1a,6a,7ß,7aa)]-6-acetoxy-6,7a-dihydro-4-[(isovaleryloxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl isovalerate","{6-acetoxy-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl}methyl 3-methylbutanoate",CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)C)C23CO3,CC(C)CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)C)C23CO3,"InChI=1/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",C22H30O8,,,,,,XLACUABANMZLCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.860,250-461-9,31091-50-6,Dimethylnaphthalenesulphonic acid,"2,3-dimethylnaphthalene-1-sulfonic acid",Cc1cc2ccccc2c(c1C)S(=O)(=O)O,Cc1cc2ccccc2c(c1C)S(=O)(=O)O,"InChI=1/C12H12O3S/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15/h3-7H,1-2H3,(H,13,14,15)",C12H12O3S,,,,,,SDRWSOSZWGTKEF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.867,250-469-2,31107-06-9,"1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]","3-[(4-nitrophenyl)hydrazono]-1,3-dihydro-2H-indol-2-one",[O-][N+](=O)c1ccc(cc1)NN=C2c3ccccc3NC2=O,[O-][N+](=O)c1ccc(cc1)NN=C2c3ccccc3NC2=O,"InChI=1/C14H10N4O3/c19-14-13(11-3-1-2-4-12(11)15-14)17-16-9-5-7-10(8-6-9)18(20)21/h1-8,16H,(H,15,17,19)",C14H10N4O3,,,,,,NUCUIOZKXRGHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.868,250-470-8,31107-36-5,"4-[[p-(p-isocyanatobenzyl)phenyl]imino]-2-oxo-1,3-diazetidine-1,3-diylbis(p-phenylenemethylene-p-phenylene) diisocyanate","1,3-bis[4-(4-isocyanatobenzyl)phenyl]-4-{[4-(4-isocyanatobenzyl)phenyl]imino}-1,3-diazetidin-2-one",O=C=Nc1ccc(Cc2ccc(cc2)N=C3N(C(=O)N3c4ccc(Cc5ccc(cc5)N=C=O)cc4)c6ccc(Cc7ccc(cc7)N=C=O)cc6)cc1,O=C=Nc1ccc(Cc2ccc(cc2)N=C3N(C(=O)N3c4ccc(Cc5ccc(cc5)N=C=O)cc4)c6ccc(Cc7ccc(cc7)N=C=O)cc6)cc1,"InChI=1/C44H30N6O4/c51-28-45-37-13-1-31(2-14-37)25-34-7-19-40(20-8-34)48-43-49(41-21-9-35(10-22-41)26-32-3-15-38(16-4-32)46-29-52)44(54)50(43)42-23-11-36(12-24-42)27-33-5-17-39(18-6-33)47-30-53/h1-24H,25-27H2",C44H30N6O4,,,,,,NFAVIZJKOVSCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.869,250-471-3,31107-39-8,"10-methoxy-13-methyl-7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinolinium chloride","10-methoxy-13-methyl-7-oxo-7,13-dihydro[3,1]benzimidazo[2,1-a]benzo[de]isoquinolin-8-ium chloride",[Cl-].COc1ccc2c(c1)[n+]3C(=O)c4cccc5cccc(c3n2C)c45,[Cl-].COc1ccc2c(c1)[n+]3C(=O)c4cccc5cccc(c3n2C)c45,"InChI=1/C20H15N2O2.ClH/c1-21-16-10-9-13(24-2)11-17(16)22-19(21)14-7-3-5-12-6-4-8-15(18(12)14)20(22)23;/h3-11H,1-2H3;1H/q+1;/p-1",C20H15N2O2.Cl,,,,,,KHZZVJQGGQKUIZ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.871,250-473-4,31111-21-4,Potassium tetraoxoruthenate,dipotassium tetraoxoruthenate(2-),[K+].[K+].O=[Ru-2](=O)(=O)=O,[K+].[K+].O=[Ru-2](=O)(=O)=O,"InChI=1/2K.4O.Ru/q2*+1;;;;;/r2K.O4Ru/c;;1-5(2,3)4/q2*+1;",K.1/2O4Ru,,,,,,OSTYFQFAUOIOLD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.872,250-475-5,31112-62-6,Metrizamide,"2-({3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-D-glucopyranose",CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I,CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I,"InChI=1/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)",C18H22I3N3O8,,,,,,BAQCROVBDNBEEB-UBYUBLNFSA-N,,,,,,,,,,,
100.045.874,250-477-6,31121-93-4,Sodium 2-(4-isobutylphenyl)propionate,sodium 2-(4-isobutylphenyl)propanoate,[Na+].CC(C)Cc1ccc(cc1)C(C)C(=O)[O-],[Na+].CC(C)Cc1ccc(cc1)C(C)C(=O)[O-],"InChI=1/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1",C13H18O2.Na,,,,,,PTTPUWGBPLLBKW-UHFFFAOYSA-M,,,,,,,,,,,
100.040.502,244-569-5,21752-34-1,(S)-4-oxo-4-[(1-phenylethyl)amino]butyric acid,4-oxo-4-[(1-phenylethyl)amino]butanoic acid,C[C@H](NC(=O)CCC(=O)O)c1ccccc1,C[C@H](NC(=O)CCC(=O)O)c1ccccc1,"InChI=1/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(15)16/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16)",C12H15NO3,,,,,,WUEKFTPKHWMMIP-VIFPVBQESA-N,,,,,,,,,,,
100.040.506,244-573-7,21757-82-4,"3,4-dichloro-a-(trichloromethyl)benzyl acetate","2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl acetate",CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl,CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl,"InChI=1/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3",C10H7Cl5O2,,,,,,FSGNOVKGEXRRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.615,247-992-3,26765-68-4,"5,6-dihydrofluoranthene-6a(4H)-methanol","5,6-dihydrofluoranthen-6a(4H)-ylmethanol",OCC12CCCc3cccc(c4ccccc14)c23,OCC12CCCc3cccc(c4ccccc14)c23,"InChI=1/C17H16O/c18-11-17-10-4-6-12-5-3-8-14(16(12)17)13-7-1-2-9-15(13)17/h1-3,5,7-9,18H,4,6,10-11H2",C17H16O,,,,,,REEDTDAAIXYAOV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.621,247-999-1,26774-88-9,"(R)-a-aminocyclohexa-1,4-diene-1-acetic acid","amino(cyclohexa-1,4-dien-1-yl)acetic acid",N[C@@H](C(=O)O)C1=CCC=CC1,N[C@@H](C(=O)O)C1=CCC=CC1,"InChI=1/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)",C8H11NO2,,,,,,JBJJTCGQCRGNOL-SSDOTTSWSA-N,,,,,,,,,,,
100.046.126,250-755-7,31661-27-5,"Propane-1,2,3-triyl trioctacosanoate","propane-1,2,3-triyl trioctacosanoate",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C87H170O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-79-85(88)91-82-84(93-87(90)81-78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h84H,4-83H2,1-3H3",C87H170O6,,,,,,CWJVVYLURLZFDN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.127,250-756-2,31663-89-5,Potassium 3-(methylthiocarbamoyl)dithiocarbazate,potassium 2-(methylcarbamothioyl)hydrazinecarbodithioate,[K+].CNC(=S)NNC(=S)[S-],[K+].CNC(=S)NNC(=S)[S-],"InChI=1/C3H7N3S3.K/c1-4-2(7)5-6-3(8)9;/h1H3,(H2,4,5,7)(H2,6,8,9);/q;+1/p-1",C3H7N3S3.K,,,,,,KFNVJFHCAMTERP-UHFFFAOYSA-M,,,,,,,,,,,
100.043.206,247-543-1,26248-99-7,"Tetrachlorotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,3a,4-tetrachlorotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",ClN1C2NC(=O)N(Cl)C2(Cl)N(Cl)C1=O,ClN1C2NC(=O)N(Cl)C2(Cl)N(Cl)C1=O,"InChI=1/C4H2Cl4N4O2/c5-4-1(9-2(13)11(4)7)10(6)3(14)12(4)8/h1H,(H,9,13)",C4H2Cl4N4O2,,,,,,HEPNIUYTFMREAU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.207,247-544-7,26249-12-7,Dibromobenzene,"1,2-dibromobenzene",Brc1ccccc1Br,Brc1ccccc1Br,InChI=1/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4Br2,,,,,,WQONPSCCEXUXTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.209,247-546-8,26252-11-9,4-(isopropyl)-1-methylcyclohexyl acetate,4-isopropyl-1-methylcyclohexyl acetate,CC(C)C1CCC(C)(CC1)OC(=O)C,CC(C)C1CCC(C)(CC1)OC(=O)C,"InChI=1/C12H22O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h9,11H,5-8H2,1-4H3",C12H22O2,,,,,,PXLKJWMSFPYVNB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.210,247-547-3,26253-52-1,"2,4,6-trichlorophenyl laurate","2,4,6-trichlorophenyl laurate",CCCCCCCCCCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl,CCCCCCCCCCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C18H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-17(22)23-18-15(20)12-14(19)13-16(18)21/h12-13H,2-11H2,1H3",C18H25Cl3O2,,,,,,KHCOZGXKVONPAB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.219,247-557-8,26264-06-2,Calcium dodecylbenzenesulphonate,calcium bis(2-dodecylbenzenesulfonate),[Ca+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Ca+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C18H30O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2",C18H30O3S.1/2Ca,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17919,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.219,OOCMUZJPDXYRFD-UHFFFAOYSA-L,,,,,,,,,,,
100.043.225,247-564-6,26264-58-4,Sodium methylnaphthalenesulphonate,sodium 2-methylnaphthalene-1-sulfonate,[Na+].Cc1ccc2ccccc2c1S(=O)(=O)[O-],[Na+].Cc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C11H10O3S.Na/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1",C11H10O3S.Na,,,,,,GCNLRNBDDUYJMP-UHFFFAOYSA-M,,,,,,,,,,,
100.043.235,247-575-6,26270-59-7,"2-[4,7-dimethoxy-5-(4-methoxycinnamoyl)benzofuran-6-yloxy]ethyldimethylammonium hydrogen maleate","2-({4,7-dimethoxy-5-[3-(4-methoxyphenyl)acryloyl]-1-benzofuran-6-yl}oxy)-N,N-dimethylethanaminium hydrogen but-2-enedioate",COc1ccc(\\C=C\\C(=O)c2c(OC)c3ccoc3c(OC)c2OCC[NH+](C)C)cc1.[O-]C(=O)\\C=C/C(=O)[O-],COc1ccc(\C=C\C(=O)c2c(OC)c3ccoc3c(OC)c2OCC[NH+](C)C)cc1.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C24H27NO6.C4H4O4/c1-25(2)13-15-31-23-20(19(26)11-8-16-6-9-17(27-3)10-7-16)21(28-4)18-12-14-30-22(18)24(23)29-5;5-3(6)1-2-4(7)8/h6-12,14H,13,15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/p-1",C24H27NO6.C4H4O4,,,,,,ONRGIIUCHWIUMG-CNEOMQSYSA-M,,,,,,,,,,,
100.043.236,247-576-1,26271-97-6,Benzylbis(2-hydroxyethyl)octadecylammonium chloride,"N-benzyl-N,N-bis(2-hydroxyethyl)octadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1,"InChI=1/C29H54NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-26-31,25-27-32)28-29-21-18-17-19-22-29;/h17-19,21-22,31-32H,2-16,20,23-28H2,1H3;1H/q+1;/p-1",C29H54NO2.Cl,,,,,,AYRXBFHUMVFQCM-UHFFFAOYSA-M,,,,,,,,,,,
100.043.242,247-582-4,26281-43-6,"3,5-dichloro-2-hydroxybenzenesulphonic acid","3,5-dichloro-2-hydroxybenzenesulfonic acid",Oc1c(Cl)cc(Cl)cc1S(=O)(=O)O,Oc1c(Cl)cc(Cl)cc1S(=O)(=O)O,"InChI=1/C6H4Cl2O4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,(H,10,11,12)",C6H4Cl2O4S,,,,,,LWKJNIMGNUTZOO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.244,247-585-0,26290-70-0,Dipotassium butyl phosphate,dipotassium butyl phosphate,[K+].[K+].CCCCOP(=O)([O-])[O-],[K+].[K+].CCCCOP(=O)([O-])[O-],"InChI=1/C4H11O4P.2K/c1-2-3-4-8-9(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);;/q;2*+1/p-2",C4H11O4P.2K,,,,,,ASQKVSNYBNCYBV-UHFFFAOYSA-L,,,,,,,,,,,
100.041.947,246-158-6,24317-95-1,Ethyl 2-acetyldecanoate,ethyl 2-acetyldecanoate,CCCCCCCCC(C(=O)C)C(=O)OCC,CCCCCCCCC(C(=O)C)C(=O)OCC,"InChI=1/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3",C14H26O3,,,,,,APTZVOCKCUIHMY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.951,246-162-8,24323-21-5,2-methylnonan-1-oic acid,2-methylnonanoic acid,CCCCCCCC(C)C(=O)O,CCCCCCCC(C)C(=O)O,"InChI=1/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",C10H20O2,,,,,,KUSYIGBGHPOWEL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.963,246-175-9,24332-20-5,"1,1,2-trimethoxyethane","1,1,2-trimethoxyethane",COCC(OC)OC,COCC(OC)OC,"InChI=1/C5H12O3/c1-6-4-5(7-2)8-3/h5H,4H2,1-3H3",C5H12O3,,,,,,DYOZNCVZPFIXLU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.964,246-176-4,24340-76-9,3-methylisothiazol-5-amine,3-methylisothiazol-5-amine,Cc1cc(N)sn1,Cc1cc(N)sn1,"InChI=1/C4H6N2S/c1-3-2-4(5)7-6-3/h2H,5H2,1H3",C4H6N2S,,,,,,CQMHIXRPQGPCNT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.965,246-178-5,24342-04-9,Methyl pent-2-yn-1-oate,methyl pent-2-ynoate,CCC#CC(=O)OC,CCC#CC(=O)OC,"InChI=1/C6H8O2/c1-3-4-5-6(7)8-2/h3H2,1-2H3",C6H8O2,,,,,,PUMCQAGLTAGULO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.967,246-180-6,24344-21-6,"2,6-bis(1-cyclohexen-1-yl)cyclohexan-1-one","1,1':3',1''-ter(cyclohexane)-1,1''-dien-2'-one",O=C1C(CCCC1C2=CCCCC2)C3=CCCCC3,O=C1C(CCCC1C2=CCCCC2)C3=CCCCC3,"InChI=1/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h8,10,16-17H,1-7,9,11-13H2",C18H26O,,,,,,UXCKNEGQGAKQLT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.972,246-185-3,24347-54-4,"(S)-4-methylpentane-1,2-diol","4-methylpentane-1,2-diol",CC(C)C[C@H](O)CO,CC(C)C[C@H](O)CO,"InChI=1/C6H14O2/c1-5(2)3-6(8)4-7/h5-8H,3-4H2,1-2H3",C6H14O2,,,,,,AMOCOBXCNIBDMC-LURJTMIESA-N,,,,,,,,,,,
100.041.977,246-191-6,24353-00-2,p-[5-amino-4-[[2-methoxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonic acid,4-{5-amino-4-[(2-methoxy-5-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-1H-pyrazol-1-yl}benzenesulfonic acid,OS(=O)(=O)OCCS(=O)(=O)c3cc(N=Nc2c(C)nn(c1ccc(cc1)S(O)(=O)=O)c2N)c(OC)cc3,OS(=O)(=O)OCCS(=O)(=O)c3cc(N=Nc2c(C)nn(c1ccc(cc1)S(O)(=O)=O)c2N)c(OC)cc3,"InChI=1/C19H21N5O10S3/c1-12-18(19(20)24(23-12)13-3-5-14(6-4-13)36(27,28)29)22-21-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32/h3-8,11H,9-10,20H2,1-2H3,(H,27,28,29)(H,30,31,32)",C19H21N5O10S3,,,,,,BPJPCVRJAVFDHM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.984,246-198-4,24358-29-0,"2-chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoic acid","2-chloro-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoic acid",CC1CC(C)CN(C1)S(=O)(=O)c2ccc(Cl)c(c2)C(=O)O,CC1CC(C)CN(C1)S(=O)(=O)c2ccc(Cl)c(c2)C(=O)O,"InChI=1/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)",C14H18ClNO4S,,,,,,IFXSWTIWFGIXQO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.991,246-207-1,24360-97-2,10-[(1-methyl-3-piperidyl)methyl]-10H-phenothiazine monoacetate,10-[(1-methylpiperidin-3-yl)methyl]-10H-phenothiazine acetate,CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1.CC(=O)O,CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1.CC(=O)O,"InChI=1/C19H22N2S.C2H4O2/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;1-2(3)4/h2-5,8-11,15H,6-7,12-14H2,1H3;1H3,(H,3,4)",C19H22N2S.C2H4O2,,,,,,COBIOCPXKOZHSU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.580,245-754-3,23582-03-8,Tris[2-(diphenylphosphino)ethyl]phosphine,"(phosphinetriyltriethane-2,1-diyl)tris(diphenylphosphine)",C(CP(c1ccccc1)c2ccccc2)P(CCP(c3ccccc3)c4ccccc4)CCP(c5ccccc5)c6ccccc6,C(CP(c1ccccc1)c2ccccc2)P(CCP(c3ccccc3)c4ccccc4)CCP(c5ccccc5)c6ccccc6,"InChI=1/C42H42P4/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2",C42H42P4,,,,,,TVLNGWSWPKIYAO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.583,245-758-5,23582-06-1,[2-(diphenylarsino)ethyl]diphenylphosphine,[2-(diphenylarsino)ethyl](diphenyl)phosphine,C(C[As](c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,C(C[As](c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4,"InChI=1/C26H24AsP/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2",C26H24AsP,,,,,,NIPPJMSKAOITEK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.589,245-764-8,23593-75-1,Clotrimazole,1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole,Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4,Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4,"InChI=1/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",C22H17ClN2,,,,,,VNFPBHJOKIVQEB-UHFFFAOYSA-N,Positive,mzcloud:2958,[M+H]+,HCD_Averaged,277.0779:241.1012:239.0855:199.0309:165.06988:242.10900:163.0542:164.0621:226.0777:215.0855:139.05424:115.0542:125.0153,HighChem,,,,,
100.041.599,245-775-8,23601-40-3,"2,5,8,11,14,17-hexaoxanonadecan-19-ol","2,5,8,11,14,17-hexaoxanonadecan-19-ol",COCCOCCOCCOCCOCCOCCO,COCCOCCOCCOCCOCCOCCO,"InChI=1/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3",C13H28O7,,,,,,FHHGCKHKTAJLOM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.600,245-776-3,23602-10-0,"N-(1,1-dimethylpropyl)formamide","N-(1,1-dimethylpropyl)formamide",CCC(C)(C)NC=O,CCC(C)(C)NC=O,"InChI=1/C6H13NO/c1-4-6(2,3)7-5-8/h5H,4H2,1-3H3,(H,7,8)",C6H13NO,,,,,,NQHJHACNRXGUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.980,243-994-3,20728-75-0,"(2R-trans)-2-[3,4-bis(phenylmethoxy)phenyl]-3,4-dihydro-3-methoxy-5,7-bis(phenylmethoxy)-2H-1-benzopyran","5,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-3-methoxychromane",CO[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5,CO[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5,"InChI=1/C44H40O6/c1-45-43-27-38-40(48-30-34-18-10-4-11-19-34)25-37(46-28-32-14-6-2-7-15-32)26-41(38)50-44(43)36-22-23-39(47-29-33-16-8-3-9-17-33)42(24-36)49-31-35-20-12-5-13-21-35/h2-26,43-44H,27-31H2,1H3",C44H40O6,,,,,,ZVJPSRKBMYBYOV-JCGOJSMZSA-N,,,,,,,,,,,
100.039.981,243-995-9,20731-55-9,"Sodium 9,10-dihydroxystearate","sodium 9,10-dihydroxyoctadecanoate",[Na+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],[Na+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],"InChI=1/C18H36O4.Na/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h16-17,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1",C18H36O4.Na,,,,,,HQCPAOZSBHJRKS-UHFFFAOYSA-M,,,,,,,,,,,
100.039.982,243-996-4,20731-62-8,Dithulium trisulphate,dithulium trisulphate,[Tm+3].[Tm+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Tm+3].[Tm+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Tm/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",H2O4S.2/3Tm,,,,,,NEEAOWXTIOQDFM-UHFFFAOYSA-H,,,,,,,,,,,
100.039.983,243-998-5,20731-63-9,"4-chloro-3,5-dinitrobenzamide","4-chloro-3,5-dinitrobenzamide",NC(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],NC(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4ClN3O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H,(H2,9,12)",C7H4ClN3O5,,,,,,XIYABENEBOSULF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.987,244-002-1,20738-25-4,7-bromoquinoline-8-thiol,7-bromoquinoline-8-thiol,Sc1c(Br)ccc2cccnc12,Sc1c(Br)ccc2cccnc12,"InChI=1/C9H6BrNS/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H",C9H6BrNS,,,,,,ZIPUIRKPZYIHLV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.990,244-005-8,20748-72-5,(2-hydroxyethyl)ammonium nitrate,2-hydroxyethanaminium nitrate,[NH3+]CCO.[O-][N+](=O)[O-],[NH3+]CCO.[O-][N+](=O)[O-],"InChI=1/C2H7NO.NO3/c3-1-2-4;2-1(3)4/h4H,1-3H2;/q;-1/p+1",C2H7NO.HNO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12152,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.990,LZJIBRSVPKKOSI-UHFFFAOYSA-O,,,,,,,,,,,
100.039.997,244-013-1,20762-60-1,Potassium azide,potassium azide,[K+].[N-]=[N+]=[N-],[K+].[N-]=[N+]=[N-],InChI=1/K.N3/c;1-3-2/q+1;-1,KN3,,,,,,TZLVRPLSVNESQC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.629,245-808-6,23654-92-4,"3,5-dimethyl-1,2,4-trithiolane","3,5-dimethyl-1,2,4-trithiolane",CC1SSC(C)S1,CC1SSC(C)S1,"InChI=1/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3",C4H8S3,,,,,,HFRUNLRFNNTTPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.630,245-809-1,23655-69-8,"4,4-[(3,20-dioxopregn-4-ene-14,17-diyl)dioxy]butyric acid","3-(1-acetyl-10a,12a-dimethyl-8-oxo-1,4b,5,6,8,9,10,10a,10b,11,12,12a-dodecahydro-2H-1,4a-ethanophenanthro[1,2-c][1,2]dioxin-2-yl)propanoic acid",CC(=O)[C@]12CC[C@@]3(OOC1CCC(=O)O)[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,CC(=O)[C@]12CC[C@@]3(OOC1CCC(=O)O)[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,"InChI=1/C25H34O6/c1-15(26)24-12-13-25(31-30-20(24)6-7-21(28)29)19-5-4-16-14-17(27)8-10-22(16,2)18(19)9-11-23(24,25)3/h14,18-20H,4-13H2,1-3H3,(H,28,29)",C25H34O6,,,,,,VZLXYXZEJOLKSG-PQIHNAKHSA-N,,,,,,,,,,,
100.041.258,245-400-8,23054-60-6,N-(2-hydroxypropyl)octanamide,N-(2-hydroxypropyl)octanamide,CCCCCCCC(=O)NCC(C)O,CCCCCCCC(=O)NCC(C)O,"InChI=1/C11H23NO2/c1-3-4-5-6-7-8-11(14)12-9-10(2)13/h10,13H,3-9H2,1-2H3,(H,12,14)",C11H23NO2,,,,,,HYALHALGUKZZPY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.259,245-401-3,23054-61-7,N-(2-hydroxypropyl)decan-1-amide,N-(2-hydroxypropyl)decanamide,CCCCCCCCCC(=O)NCC(C)O,CCCCCCCCCC(=O)NCC(C)O,"InChI=1/C13H27NO2/c1-3-4-5-6-7-8-9-10-13(16)14-11-12(2)15/h12,15H,3-11H2,1-2H3,(H,14,16)",C13H27NO2,,,,,,YQSBEIIQKPQGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.266,245-409-7,23068-87-3,"4,4-dimethoxybutan-1-ol","4,4-dimethoxybutan-1-ol",COC(CCCO)OC,COC(CCCO)OC,"InChI=1/C6H14O3/c1-8-6(9-2)4-3-5-7/h6-7H,3-5H2,1-2H3",C6H14O3,,,,,,DDPMQWOBGOWNKA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.272,245-416-5,23074-99-9,"11ß,17-dihydroxypregna-1,4-diene-3,20-dione 11-nitrate 17-propionate","11-(nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propionate",CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)O[N+](=O)[O-])C(=O)C,CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)O[N+](=O)[O-])C(=O)C,"InChI=1/C24H31NO7/c1-5-20(28)31-24(14(2)26)11-9-18-17-7-6-15-12-16(27)8-10-22(15,3)21(17)19(32-25(29)30)13-23(18,24)4/h8,10,12,17-19,21H,5-7,9,11,13H2,1-4H3",C24H31NO7,,,,,,AKRDEILXKSRTAT-GNSLJVCWSA-N,,,,,,,,,,,
100.041.279,245-423-3,23089-26-1,Levomenol,6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol,CC(=CCC[C@](C)(O)[C@H]1CCC(=CC1)C)C,CC(=CCC[C@](C)(O)[C@H]1CCC(=CC1)C)C,"InChI=1/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3",C15H26O,,,,,,RGZSQWQPBWRIAQ-CABCVRRESA-N,,,,,,,,,,,
100.041.280,245-424-9,23089-32-9,"(±)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane","6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane",CC1(C)C2CCC(=C)C1C2,CC1(C)C2CCC(=C)C1C2,"InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,,,,,,WTARULDDTDQWMU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.417,246-675-7,25155-18-4,Methylbenzethonium chloride,"N-benzyl-N,N-dimethyl-2-{2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanaminium chloride",[Cl-].Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C,[Cl-].Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C,"InChI=1/C28H44NO2.ClH/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1",C28H44NO2.Cl,,,,,,QWZLBLDNRUUYQI-UHFFFAOYSA-M,,,,,,,,,,,
100.042.420,246-678-3,25155-25-3,"[1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide","1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene",CC(C)(C)OOC(C)(C)c1ccc(cc1)C(C)(C)OOC(C)(C)C,CC(C)(C)OOC(C)(C)c1ccc(cc1)C(C)(C)OOC(C)(C)C,"InChI=1/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3",C20H34O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15785,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.420,GWQOYRSARAWVTC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.421,246-679-9,25155-29-7,Bis(hydroxymethyl)urea,"1,1-bis(hydroxymethyl)urea",NC(=O)N(CO)CO,NC(=O)N(CO)CO,"InChI=1/C3H8N2O3/c4-3(8)5(1-6)2-7/h6-7H,1-2H2,(H2,4,8)",C3H8N2O3,,,,,,QAGFPFWZCJWYRP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.425,246-684-6,25159-40-4,N-[3-(dimethylamino)propyl]-9-octadecenamide N-oxide,"N,N-dimethyl-3-[oleoyl(oxido)amino]propan-1-amine",CN(C)CCC[NH+]([O-])C(=O)CCCCCCCC=CCCCCCCCC,CN(C)CCC[NH+]([O-])C(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C23H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25(27)22-19-21-24(2)3/h11-12,25H,4-10,13-22H2,1-3H3",C23H46N2O2,,,,,,RUZSAMVMPXCERC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.429,246-688-8,25167-32-2,"Disodium 2,2'(or 3,3')-oxybis[5(or 2)-dodecylbenzenesulphonate]","disodium 3,3'-oxybis(5-dodecylbenzenesulfonate)",CCCCCCCCCCCCc1cc(Oc2cc(CCCCCCCCCCCC)cc(c2)S(=O)(=O)O[Na])cc(c1)S(=O)(=O)O[Na],CCCCCCCCCCCCc1cc(Oc2cc(CCCCCCCCCCCC)cc(c2)S(=O)(=O)O[Na])cc(c1)S(=O)(=O)O[Na],"InChI=1/C36H58O7S2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-33(29-35(27-31)44(37,38)39)43-34-26-32(28-36(30-34)45(40,41)42)24-22-20-18-16-14-12-10-8-6-4-2;;/h25-30H,3-24H2,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/rC36H56Na2O7S2/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-33(29-35(27-31)46(39,40)44-37)43-34-26-32(28-36(30-34)47(41,42)45-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3",C36H58O7S2.2Na,,,,,,OIRUSFZUWGSDMR-UHFFFAOYSA-L,,,,,,,,,,,
100.042.433,246-693-5,25167-81-1,Dichlorophenol,"2,3-dichlorophenol",Oc1cccc(Cl)c1Cl,Oc1cccc(Cl)c1Cl,"InChI=1/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H",C6H4Cl2O,,,,,,UMPSXRYVXUPCOS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.435,246-695-6,25167-93-5,Chloronitrobenzene,1-chloro-2-nitrobenzene,[O-][N+](=O)c1ccccc1Cl,[O-][N+](=O)c1ccccc1Cl,InChI=1/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,C6H4ClNO2,,,,,,BFCFYVKQTRLZHA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.436,246-696-1,25167-94-6,Diphenylpropane,"1,1'-propane-1,1-diyldibenzene",CCC(c1ccccc1)c2ccccc2,CCC(c1ccccc1)c2ccccc2,"InChI=1/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3",C15H16,,,,,,BUZMJVBOGDBMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.438,246-698-2,25168-05-2,Chlorotoluene,(chloromethyl)benzene,ClCc1ccccc1,ClCc1ccccc1,"InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7H7Cl,,,,,,KCXMKQUNVWSEMD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.443,246-703-8,25168-24-5,"Diisooctyl 2,2'-[(dibutylstannylene)bis(thio)]diacetate","6-methylheptyl 4,4-dibutyl-14-methyl-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate",CCCC[Sn](CCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,CCCC[Sn](CCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,"InChI=1/2C10H20O2S.2C4H9.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4S2Sn/c1-7-9-21-35(22-10-8-2,33-23-27(29)31-19-15-11-13-17-25(3)4)34-24-28(30)32-20-16-12-14-18-26(5)6/h25-26H,7-24H2,1-6H3",C28H56O4S2Sn,,,,,,VNPRJHMMOKDEDZ-UHFFFAOYSA-L,,,,,,,,,,,
100.042.444,246-704-3,25168-26-7,"Isooctyl (2,4-dichlorophenoxy)acetate","2-ethylhexyl (2,4-dichlorophenoxy)acetate",CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3",C16H22Cl2O3,,,,,,QZSFJRIWRPJUOH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.449,246-710-6,25176-89-0,"3-[[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]ethylamino]propiononitrile","3-[{4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}(ethyl)amino]propanenitrile",CCN(CCC#N)c1ccc(cc1)N=Nc2nc3cc(Cl)c(Cl)cc3s2,CCN(CCC#N)c1ccc(cc1)N=Nc2nc3cc(Cl)c(Cl)cc3s2,"InChI=1/C18H15Cl2N5S/c1-2-25(9-3-8-21)13-6-4-12(5-7-13)23-24-18-22-16-10-14(19)15(20)11-17(16)26-18/h4-7,10-11H,2-3,9H2,1H3",C18H15Cl2N5S,,,,,,RYYROXKGNRYZSD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.459,246-721-6,25186-43-0,N-isopropyl-4-nitroaniline,N-isopropyl-4-nitroaniline,CC(C)Nc1ccc(cc1)[N+](=O)[O-],CC(C)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H12N2O2/c1-7(2)10-8-3-5-9(6-4-8)11(12)13/h3-7,10H,1-2H3",C9H12N2O2,,,,,,VTSUWHFLMJLYKN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.460,246-722-1,25186-47-4,"3,5-dichlorotoluene","1,3-dichloro-5-methylbenzene",Cc1cc(Cl)cc(Cl)c1,Cc1cc(Cl)cc(Cl)c1,"InChI=1/C7H6Cl2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3",C7H6Cl2,,,,,,RYMMNSVHOKXTNN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.245,247-586-6,26291-85-0,Titanium(4+) tetrakis[(Z)-9-octadecen-1-olate],titanium(4+) tetraoctadec-9-en-1-olate,[Ti+4].CCCCCCCC\\C=C/CCCCCCCC[O-].CCCCCCCC\\C=C/CCCCCCCC[O-].CCCCCCCC\\C=C/CCCCCCCC[O-].CCCCCCCC\\C=C/CCCCCCCC[O-],[Ti+4].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-],"InChI=1/4C18H35O.Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h4*9-10H,2-8,11-18H2,1H3;/q4*-1;+4",C72H140O4Ti,,,,,,SJZOMFBRJGBJJU-UJUIXPSJSA-N,,,,,,,,,,,
100.039.961,243-973-9,20690-61-3,Undecyl acrylate,undecyl acrylate,CCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCOC(=O)C=C,"InChI=1/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h4H,2-3,5-13H2,1H3",C14H26O2,,,,,,RRLMGCBZYFFRED-UHFFFAOYSA-N,,,,,,,,,,,
100.039.962,243-974-4,20691-52-5,4-tert-butylcyclohexanecarbaldehyde,4-tert-butylcyclohexanecarbaldehyde,CC(C)(C)C1CCC(CC1)C=O,CC(C)(C)C1CCC(CC1)C=O,"InChI=1/C11H20O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h8-10H,4-7H2,1-3H3",C11H20O,,,,,,MXGRYXNVQNESIN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.966,243-979-1,20707-70-4,"(Z,)-cinnamaldehyde oxime",3-phenylacrylaldehyde oxime,ON=CC=Cc1ccccc1,ON=CC=Cc1ccccc1,"InChI=1/C9H9NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-8,11H",C9H9NO,,,,,,RUQDOYIAKHIMAN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.969,243-982-8,20711-10-8,(Z)-tetradec-11-enyl acetate,tetradec-11-en-1-yl acetate,CC\\C=C/CCCCCCCCCCOC(=O)C,CC\C=C/CCCCCCCCCCOC(=O)C,"InChI=1/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3",C16H30O2,,,,,,YJINQJFQLQIYHX-PLNGDYQASA-N,,,,,,,,,,,
100.039.973,243-987-5,20721-50-0,"2,2'-[[4-[(4-aminophenyl)azo]phenyl]imino]bisethanol","2,2'-({4-[(4-aminophenyl)diazenyl]phenyl}imino)diethanol",OCCN(CCO)c2ccc(N=Nc1ccc(N)cc1)cc2,OCCN(CCO)c2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2",C16H20N4O2,,,,,,NZKTVPCPQIEVQT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.974,243-988-0,20723-81-3,Diethyl[2-[3-(2-furyl)-2-(2-naphthylmethyl)propionyloxy]ethyl]ammonium hydrogen oxalate,"N,N-diethyl-2-{[3-(2-furyl)-2-(2-naphthylmethyl)propanoyl]oxy}ethanaminium hydrogen oxalate",CC[NH+](CC)CCOC(=O)C(Cc1occc1)Cc2ccc3ccccc3c2.[O-]C(=O)C(=O)[O-],CC[NH+](CC)CCOC(=O)C(Cc1occc1)Cc2ccc3ccccc3c2.[O-]C(=O)C(=O)[O-],"InChI=1/C24H29NO3.C2H2O4/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19;3-1(4)2(5)6/h5-12,14,16,22H,3-4,13,15,17-18H2,1-2H3;(H,3,4)(H,5,6)/p-1",C24H33NO3.C2H2O4,,,,,,MYKHJWCUMJASMK-UHFFFAOYSA-M,,,,,,,,,,,
100.039.977,243-991-7,20727-33-7,"Sodium 1,4-bis(1-methylheptyl) 2-sulphonatosuccinate","sodium 1,4-bis[(1-methylheptyl)oxy]-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCC(C)OC(=O)CC(C(=O)OC(C)CCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCC(C)OC(=O)CC(C(=O)OC(C)CCCCCC)S(=O)(=O)[O-],"InChI=1/C20H38O7S.Na/c1-5-7-9-11-13-16(3)26-19(21)15-18(28(23,24)25)20(22)27-17(4)14-12-10-8-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1",C20H38O7S.Na,,,,,,HLLFAOOLQATURQ-UHFFFAOYSA-M,,,,,,,,,,,
100.039.984,243-999-0,20732-22-3,3-(dipropylamino)propiononitrile,3-(dipropylamino)propanenitrile,CCCN(CCC)CCC#N,CCCN(CCC)CCC#N,"InChI=1/C9H18N2/c1-3-7-11(8-4-2)9-5-6-10/h3-5,7-9H2,1-2H3",C9H18N2,,,,,,TXKWRPYUNDNNMI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.986,244-001-6,20734-58-1,"N,N,N',N'-tetramethylnaphthalene-1,8-diamine","N,N,N',N'-tetramethylnaphthalene-1,8-diamine",CN(C)c1cccc2cccc(N(C)C)c12,CN(C)c1cccc2cccc(N(C)C)c12,"InChI=1/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3",C14H18N2,,,,,,GJFNRSDCSTVPCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.989,244-004-2,20740-45-8,Dihydrogen hexaiodoplatinate,hexaiodoplatinate(2-),I[Pt-2](I)(I)(I)(I)I,I[Pt-2](I)(I)(I)(I)I,"InChI=1/6HI.Pt/h6*1H;/q;;;;;;+4/p-6/rI6Pt/c1-7(2,3,4,5)6/q-2",H.1/2I6Pt,,,,,,VQVVOLBVQFOANH-UHFFFAOYSA-H,,,,,,,,,,,
100.039.996,244-012-6,20760-45-6,Dioctyl oxalate,dioctyl oxalate,CCCCCCCCOC(=O)C(=O)OCCCCCCCC,CCCCCCCCOC(=O)C(=O)OCCCCCCCC,"InChI=1/C18H34O4/c1-3-5-7-9-11-13-15-21-17(19)18(20)22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C18H34O4,,,,,,PEJVLWCOQVHCAF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.998,244-014-7,20763-30-8,"2-amino-2-(cyclohexadien-1,4-yl)acetic acid","amino(cyclohexa-1,4-dien-1-yl)acetic acid",NC(C(=O)O)C1=CCC=CC1,NC(C(=O)O)C1=CCC=CC1,"InChI=1/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)",C8H11NO2,,,,,,JBJJTCGQCRGNOL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.999,244-015-2,20765-15-5,Neodymium(3+) benzoate,neodymium tribenzoate,[Nd+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,[Nd+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,"InChI=1/3C7H6O2.Nd/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3",C7H6O2.1/3Nd,,,,,,HPCGPGSYNUPEKZ-UHFFFAOYSA-K,,,,,,,,,,,
100.041.626,245-804-4,23647-78-1,Disalicylohydrazide,2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide,Oc1ccccc1C(=O)NNC(=O)c2ccccc2O,Oc1ccccc1C(=O)NNC(=O)c2ccccc2O,"InChI=1/C14H12N2O4/c17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)",C14H12N2O4,,,,,,UORSDGBOJHYJLV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.627,245-806-5,23651-62-9,Ethyl N-ethyl-ß-alaninate,ethyl N-ethyl-beta-alaninate,CCNCCC(=O)OCC,CCNCCC(=O)OCC,"InChI=1/C7H15NO2/c1-3-8-6-5-7(9)10-4-2/h8H,3-6H2,1-2H3",C7H15NO2,,,,,,CNRWEHBBGLCEHG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.616,245-794-1,23627-49-8,"2,2-dichloro-3',3'-dimethylspiro[cyclopropane-1,2'-norbornane], stereoisomer","2',2'-dichloro-3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]",CC1(C)C2CCC(C2)C13CC3(Cl)Cl,CC1(C)C2CCC(C2)C13CC3(Cl)Cl,"InChI=1/C11H16Cl2/c1-9(2)7-3-4-8(5-7)10(9)6-11(10,12)13/h7-8H,3-6H2,1-2H3",C11H16Cl2,,,,,,CGWZJKHGFXYCCI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.619,245-797-8,23640-03-1,"4-(1H-imidazol-4-ylmethyl)oxazolidine-2,5-dione","4-(1H-imidazol-5-ylmethyl)-1,3-oxazolidine-2,5-dione",O=C1NC(Cc2cnc[nH]2)C(=O)O1,O=C1NC(Cc2cnc[nH]2)C(=O)O1,"InChI=1/C7H7N3O3/c11-6-5(10-7(12)13-6)1-4-2-8-3-9-4/h2-3,5H,1H2,(H,8,9)(H,10,12)",C7H7N3O3,,,,,,RSKUUOKOVOJYNG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.620,245-798-3,23640-96-2,"6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate","6,9-difluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl butyrate",CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C25H32F2O6/c1-4-5-21(32)33-24(20(31)13-28)9-7-15-16-11-18(26)17-10-14(29)6-8-22(17,2)25(16,27)19(30)12-23(15,24)3/h6,8,10,15-16,18-19,28,30H,4-5,7,9,11-13H2,1-3H3",C25H32F2O6,,,,,,BQEJAAIPKDQEPV-MXHGPKCJSA-N,,,,,,,,,,,
100.045.332,249-882-0,29820-22-2,3-methylindan-4-ol,3-methylindan-4-ol,CC1CCc2cccc(O)c12,CC1CCc2cccc(O)c12,"InChI=1/C10H12O/c1-7-5-6-8-3-2-4-9(11)10(7)8/h2-4,7,11H,5-6H2,1H3",C10H12O,,,,,,HZJPNSZTILZSPN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.344,249-895-1,29863-19-2,"2,2'-(phenylene)bis[5-phenyloxazole]","2,2'-(1,2-phenylene)bis(5-phenyl-1,3-oxazole)",o1c(cnc1c2ccccc2c3oc(cn3)c4ccccc4)c5ccccc5,o1c(cnc1c2ccccc2c3oc(cn3)c4ccccc4)c5ccccc5,InChI=1/C24H16N2O2/c1-3-9-17(10-4-1)21-15-25-23(27-21)19-13-7-8-14-20(19)24-26-16-22(28-24)18-11-5-2-6-12-18/h1-16H,C24H16N2O2,,,,,,GGBOVJMCGIHGCG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.351,249-902-8,29867-73-0,"Adipic acid, compound with 2,2',2''-nitrilotriethanol","hexanedioic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)CCCCC(=O)O,OCCN(CCO)CCO.OC(=O)CCCCC(=O)O,"InChI=1/C6H15NO3.C6H10O4/c8-4-1-7(2-5-9)3-6-10;7-5(8)3-1-2-4-6(9)10/h8-10H,1-6H2;1-4H2,(H,7,8)(H,9,10)",C6H15NO3.xC6H10O4,,,,,,VGNUTRRATQMMHI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.352,249-903-3,29868-01-7,"Malic acid, compound with 2-aminoethanol",2-hydroxysuccinic acid - 2-aminoethanol (1:1),NCCO.OC(CC(=O)O)C(=O)O,NCCO.OC(CC(=O)O)C(=O)O,"InChI=1/C4H6O5.C2H7NO/c5-2(4(8)9)1-3(6)7;3-1-2-4/h2,5H,1H2,(H,6,7)(H,8,9);4H,1-3H2",C4H6O5.xC2H7NO,,,,,,VBDYEDRMGZAREE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.359,249-911-7,29870-23-3,"2,2',2''-nitrilotriethyl tartrate","4,4'-[({2-[(3-carboxy-2,3-dihydroxypropanoyl)oxy]ethyl}imino)bis(ethane-2,1-diyloxy)]bis(2,3-dihydroxy-4-oxobutanoate)",OC(C(O)C(=O)OCCN(CCOC(=O)C(O)C(O)C(=O)[O-])CCOC(=O)C(O)C(O)C(=O)[O-])C(=O)O,OC(C(O)C(=O)OCCN(CCOC(=O)C(O)C(O)C(=O)[O-])CCOC(=O)C(O)C(O)C(=O)[O-])C(=O)O,"InChI=1/C18H27NO18/c20-7(13(26)27)10(23)16(32)35-4-1-19(2-5-36-17(33)11(24)8(21)14(28)29)3-6-37-18(34)12(25)9(22)15(30)31/h7-12,20-25H,1-6H2,(H,26,27)(H,28,29)(H,30,31)/p-2",C6H15NO3.xC4H6O6,,,,,,KHRVCEARAZLLKT-UHFFFAOYSA-L,,,,,,,,,,,
100.045.363,249-915-9,29870-99-3,Strontium dilactate,strontium bis(2-hydroxypropanoate),[Sr+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Sr+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Sr/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C3H6O3.1/2Sr,,,,,,CCUZKVDGQHXAFK-UHFFFAOYSA-L,,,,,,,,,,,
100.045.365,249-918-5,29871-24-7,1-(2-phenylethyl)pyridinium chloride,1-(2-phenylethyl)pyridinium chloride,[Cl-].C(C[n+]1ccccc1)c2ccccc2,[Cl-].C(C[n+]1ccccc1)c2ccccc2,"InChI=1/C13H14N.ClH/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;/h1-8,10-11H,9,12H2;1H/q+1;/p-1",C13H14N.Cl,,,,,,SMWVIUFPHBFCKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.369,249-922-7,29878-91-9,"1,1'-binaphthyl-8,8'-dicarboxylic acid","1,1'-binaphthalene-8,8'-dicarboxylic acid",OC(=O)c1cccc2cccc(c3cccc4cccc(C(=O)O)c34)c12,OC(=O)c1cccc2cccc(c3cccc4cccc(C(=O)O)c34)c12,"InChI=1/C22H14O4/c23-21(24)17-11-3-7-13-5-1-9-15(19(13)17)16-10-2-6-14-8-4-12-18(20(14)16)22(25)26/h1-12H,(H,23,24)(H,25,26)",C22H14O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11993,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.369,XGDAODQNSVFBGM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.001,244-017-3,20769-85-1,2-bromo-2-methylpropionyl bromide,2-bromo-2-methylpropanoyl bromide,CC(C)(Br)C(=O)Br,CC(C)(Br)C(=O)Br,"InChI=1/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3",C4H6Br2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13206,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.001,YOCIJWAHRAJQFT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.872,249-374-9,29023-48-1,"1-(tert-butylamino)-3-[[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol","1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol",CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,"InChI=1/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3",C13H24N4O3S,,,,,,BLJRIMJGRPQVNF-UHFFFAOYSA-N,Positive,EQ321001|EQ321002|EQ321003|EQ321004|EQ321005|EQ321006|EQ321007|EQ321008|EQ321009,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,317.1642:261.1017:74.0598|261.1015:74.06:317.1643|74.06:244.0751:188.0488|74.06:188.0489:56.0495|74.06:56.0495:144.0226|74.06:56.0495:113.0709|56.0495:69.0447:74.0059|56.0495:69.0447:74.0059|56.0495:69.0447:59.9903,Eawag,,,,,
100.044.873,249-375-4,29025-14-7,Butropium bromide,8-(4-butoxybenzyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane bromide,[Br-].CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2C[C@H](C3)OC(=O)[C@H](CO)c4ccccc4)cc1,[Br-].CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2C[C@H](C3)OC(=O)[C@H](CO)c4ccccc4)cc1,"InChI=1/C28H38NO4.BrH/c1-3-4-16-32-25-14-10-21(11-15-25)19-29(2)23-12-13-24(29)18-26(17-23)33-28(31)27(20-30)22-8-6-5-7-9-22;/h5-11,14-15,23-24,26-27,30H,3-4,12-13,16-20H2,1-2H3;1H/q+1;/p-1",C28H38NO4.Br,,,,,,JABDOYKGZCPHPX-XSCYYCMVSA-M,,,,,,,,,,,
100.041.281,245-425-4,23092-17-3,Halazepam,"7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one",FC(F)(F)CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,FC(F)(F)CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2",C17H12ClF3N2O,,,,,,WYCLKVQLVUQKNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.286,245-431-7,23104-75-8,N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulphonyl]phenyl]azo]-1-naphthyl]acetamide,N-(7-hydroxy-8-{[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl}-1-naphthyl)acetamide,Oc3ccc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)S(=O)(=O)NC,Oc3ccc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)S(=O)(=O)NC,"InChI=1/C19H18N4O5S/c1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2/h3-10,20,25-26H,1-2H3,(H,21,24)",C19H18N4O5S,,,,,,IUSNKBQUMJMAPR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.294,245-440-6,23127-85-7,"Ethyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate","ethyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydrofuran-2-carboxylate",CCOC(=O)C1(CC(=O)C)OC(=O)C(=C1C(=O)C)O,CCOC(=O)C1(CC(=O)C)OC(=O)C(=C1C(=O)C)O,"InChI=1/C12H14O7/c1-4-18-11(17)12(5-6(2)13)8(7(3)14)9(15)10(16)19-12/h15H,4-5H2,1-3H3",C12H14O7,,,,,,ZWNGEJXPRFXVOE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.297,245-443-2,23132-52-7,1-tert-butyl-3-nitrobenzene,1-tert-butyl-3-nitrobenzene,CC(C)(C)c1cccc(c1)[N+](=O)[O-],CC(C)(C)c1cccc(c1)[N+](=O)[O-],"InChI=1/C10H13NO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7H,1-3H3",C10H13NO2,,,,,,ZKRDQLBHUZNPGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.299,245-445-3,23135-22-0,"N',N'-dimethylcarbamoyl(methylthio)methylenamine N-methylcarbamate",methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-oxoethanimidothioate,CNC(=O)O\\N=C(/SC)\\C(=O)N(C)C,CNC(=O)O\N=C(/SC)\C(=O)N(C)C,"InChI=1/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)",C7H13N3O3S,,,,,,KZAUOCCYDRDERY-UITAMQMPSA-N,,,,,,,,,,,
100.046.130,250-759-9,31677-93-7,(±)-2-(tert-butylamino)-3'-chloropropiophenone hydrochloride,2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,"InChI=1/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3",C13H18ClNO.ClH,,,,,,SNPPWIUOZRMYNY-UHFFFAOYSA-N,Positive,SM859601;EA280301|EA280302|EA280303|EA280304|EA280305|EA280306|EA280307|EA280308|EA280309|EA280310|EA280311|EA280312|EA280313|EA280314,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,184.0524:166.0418:131.0729;184.0528:166.042:167.0258|240.1153:184.0524:166.0419|184.0525:166.0419:240.1141|166.042:184.0524:167.0258|131.0731:166.042:139.0311|131.073:139.031:166.0418|131.0731:130.0653:103.0544|240.1152:184.0525:166.0419|184.0525:166.042:240.1149|166.042:184.0524:167.0259|131.073:166.0419:139.031|131.0731:139.031:103.0543|131.073:130.0653:103.0543|184.0526:166.0418:167.0258,CASMI_2016;Eawag,,,,,
100.046.136,250-766-7,31697-11-7,Ethyl 3-hydrazino-5-methyl-1H-pyrazole-4-carboxylate,ethyl 5-hydrazino-3-methyl-1H-pyrazole-4-carboxylate,CCOC(=O)c1c(C)n[nH]c1NN,CCOC(=O)c1c(C)n[nH]c1NN,"InChI=1/C7H12N4O2/c1-3-13-7(12)5-4(2)10-11-6(5)9-8/h3,8H2,1-2H3,(H2,9,10,11)",C7H12N4O2,,,,,,VLINEBUOHOGPIP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.146,250-777-7,31715-57-8,"6,15-dimethoxybenzo[b]naphth[1',2',3':1,8]isoquino[5,4-hi]thebenidine-9,18-dione","6,15-dimethoxydibenzo[c,lmn]naphtho[1',2',3':1,8]isoquino[5,4-ij]phenanthridine-9,18-dione",COc1nc2c3ccccc3C(=O)c4ccc5c6c(OC)nc7c8ccccc8C(=O)c9ccc(c1c5c24)c6c79,COc1nc2c3ccccc3C(=O)c4ccc5c6c(OC)nc7c8ccccc8C(=O)c9ccc(c1c5c24)c6c79,"InChI=1/C34H18N2O4/c1-39-33-27-19-11-13-22-26-24(19)28(34(40-2)36-30(26)16-8-4-6-10-18(16)32(22)38)20-12-14-21-25(23(20)27)29(35-33)15-7-3-5-9-17(15)31(21)37/h3-14H,1-2H3",C34H18N2O4,,,,,,UHJWYXAVYJJMGL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.147,250-778-2,31717-87-0,Dodemorph acetate,"4-cyclododecyl-2,6-dimethylmorpholine acetate",CC1CN(CC(C)O1)C2CCCCCCCCCCC2.CC(=O)O,CC1CN(CC(C)O1)C2CCCCCCCCCCC2.CC(=O)O,"InChI=1/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)",C18H35NO.C2H4O2,,,,,,YLJLLELGHSWIDU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.149,250-780-3,31721-17-2,Quinupramine,"5-(1-azabicyclo[2.2.2]oct-3-yl)-10,11-dihydro-5H-dibenzo[b,f]azepine",C1CN2CCC1C(C2)N3c4ccccc4CCc5ccccc35,C1CN2CCC1C(C2)N3c4ccccc4CCc5ccccc35,"InChI=1/C21H24N2/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)23(19)21-15-22-13-11-18(21)12-14-22/h1-8,18,21H,9-15H2",C21H24N2,,,,,,JCBQCKFFSPGEDY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.150,250-781-9,31729-66-5,1-phenylcyclopropanemethanol,(1-phenylcyclopropyl)methanol,OCC1(CC1)c2ccccc2,OCC1(CC1)c2ccccc2,"InChI=1/C10H12O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2",C10H12O,,,,,,APALRPYIDIBHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.158,250-790-8,31749-12-9,"(3,4-dihydroxyphenyl) 2-pyridyl ketone hydrobromide","(3,4-dihydroxyphenyl)(pyridin-2-yl)methanone hydrobromide",Br.Oc1ccc(cc1O)C(=O)c2ccccn2,Br.Oc1ccc(cc1O)C(=O)c2ccccn2,"InChI=1/C12H9NO3.BrH/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9;/h1-7,14-15H;1H",C12H9NO3.BrH,,,,,,KTDLKYUKPICNPE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.161,250-793-4,31768-46-4,"Ethyl 4-[[3-(aminocarbonyl)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl]azo]benzoate","ethyl 4-[(3-carbamoyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate",CCOC(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccccc2)C3=O)C(N)=O,CCOC(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccccc2)C3=O)C(N)=O,"InChI=1/C19H17N5O4/c1-2-28-19(27)12-8-10-13(11-9-12)21-22-16-15(17(20)25)23-24(18(16)26)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3,(H2,20,25)",C19H17N5O4,,,,,,XCZDCNNCRLGUAL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.162,250-795-5,31770-95-3,5-mesyl-6-nitrobenzoxazol-2(3H)-one,"5-(methylsulfonyl)-6-nitro-1,3-benzoxazol-2(3H)-one",CS(=O)(=O)c1cc2NC(=O)Oc2cc1[N+](=O)[O-],CS(=O)(=O)c1cc2NC(=O)Oc2cc1[N+](=O)[O-],"InChI=1/C8H6N2O6S/c1-17(14,15)7-2-4-6(16-8(11)9-4)3-5(7)10(12)13/h2-3H,1H3,(H,9,11)",C8H6N2O6S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16909,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.162,MVPPGNRJNZBDAK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.913,250-520-9,31229-74-0,"Palmitic acid, diester with 5-hydroxy-6-methylpyridine-3,4-dimethanol","(5-hydroxy-6-methylpyridine-3,4-diyl)bis(methylene) dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCc1cnc(C)c(O)c1COC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCc1cnc(C)c(O)c1COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C40H71NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(42)45-33-36-32-41-35(3)40(44)37(36)34-46-39(43)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32,44H,4-31,33-34H2,1-3H3",C40H71NO5,,,,,,RCYWWJBNPIWJMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.916,250-524-0,31236-94-9,2-bromocyclododecanone,2-bromocyclododecanone,BrC1CCCCCCCCCCC1=O,BrC1CCCCCCCCCCC1=O,"InChI=1/C12H21BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11H,1-10H2",C12H21BrO,,,,,,YGXQOFXPYXFZFY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.919,250-527-7,31238-20-7,2-chloroethyltriphenylphosphonium bromide,(2-chloroethyl)(triphenyl)phosphonium bromide,[Br-].ClCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].ClCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H19ClP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1",C20H19ClP.Br,,,,,,HETXOZDAMZALJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.930,250-539-2,31257-96-2,Vinylphenol,2-vinylphenol,Oc1ccccc1C=C,Oc1ccccc1C=C,"InChI=1/C8H8O/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H2",C8H8O,,,,,,JESXATFQYMPTNL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.932,250-541-3,31268-79-8,4-tert-butyl-3-methylanisole,1-tert-butyl-4-methoxy-2-methylbenzene,COc1ccc(c(C)c1)C(C)(C)C,COc1ccc(c(C)c1)C(C)(C)C,"InChI=1/C12H18O/c1-9-8-10(13-5)6-7-11(9)12(2,3)4/h6-8H,1-5H3",C12H18O,,,,,,ZNQXIHJPCUGNJF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.933,250-542-9,31274-42-7,2-(tribromomesyl)benzothiazole,"2-[(tribromomethyl)sulfonyl]-1,3-benzothiazole",BrC(Br)(Br)S(=O)(=O)c1nc2ccccc2s1,BrC(Br)(Br)S(=O)(=O)c1nc2ccccc2s1,"InChI=1/C8H4Br3NO2S2/c9-8(10,11)16(13,14)7-12-5-3-1-2-4-6(5)15-7/h1-4H",C8H4Br3NO2S2,,,,,,NREKJIIPVVKRNO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.934,250-543-4,31281-86-4,"8-bromoadenosine 2',3',5'-triacetate","2',3',5'-tri-O-acetyl-8-bromoadenosine",CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n2c(Br)nc3c(N)ncnc23,CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n2c(Br)nc3c(N)ncnc23,"InChI=1/C16H18BrN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-14-10(21-16(22)17)13(18)19-5-20-14/h5,9,11-12,15H,4H2,1-3H3,(H2,18,19,20)",C16H18BrN5O7,,,,,,HRCLVNMFELGYPE-SDBHATRESA-N,,,,,,,,,,,
100.045.940,250-550-2,31291-60-8,Di-sec-butylphenol,"2,3-di-sec-butylphenol",CCC(C)c1cccc(O)c1C(C)CC,CCC(C)c1cccc(O)c1C(C)CC,"InChI=1/C14H22O/c1-5-10(3)12-8-7-9-13(15)14(12)11(4)6-2/h7-11,15H,5-6H2,1-4H3",C14H22O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11944,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.940,ROOPEIGRBDVOKP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.945,250-556-5,31295-49-5,N-(2-aminoethyl)-N'-[2-(1-piperazinyl)ethyl]ethylenediamine,"N-(2-aminoethyl)-N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine",NCCNCCNCCN1CCNCC1,NCCNCCNCCN1CCNCC1,"InChI=1/C10H25N5/c11-1-2-12-3-4-13-5-8-15-9-6-14-7-10-15/h12-14H,1-11H2",C10H25N5,,,,,,LPOUQGUYVMSQOH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.763,248-155-5,26982-03-6,Sodium chlorophenolate,sodium 2-chlorophenolate,[Na+].[O-]c1ccccc1Cl,[Na+].[O-]c1ccccc1Cl,"InChI=1/C6H5ClO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1",C6H5ClO.Na,,,,,,GQFIWFPBDXSASA-UHFFFAOYSA-M,,,,,,,,,,,
100.043.768,248-160-2,26999-06-4,"Butyric acid, monoester with propane-1,2,3-triol","2,3-dihydroxypropyl butyrate",CCCC(=O)OCC(O)CO,CCCC(=O)OCC(O)CO,"InChI=1/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3",C7H14O4,,,,,,RIEABXYBQSLTFR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.769,248-161-8,26999-29-1,"O,O-diisooctyl hydrogen dithiophosphate","O,O-bis(6-methylheptyl) hydrogen dithiophosphate",CC(C)CCCCCOP(=S)(S)OCCCCCC(C)C,CC(C)CCCCCOP(=S)(S)OCCCCCC(C)C,"InChI=1/C16H35O2PS2/c1-15(2)11-7-5-9-13-17-19(20,21)18-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,20,21)",C16H35O2PS2,,,,,,DXECDJILNIXBML-UHFFFAOYSA-N,,,,,,,,,,,
100.043.780,248-173-3,27030-97-3,"1-[4-(1H-benzimidazol-2-yl)phenyl]-1H-pyrrole-2,5-dione","1-[4-(1H-benzimidazol-2-yl)phenyl]-1H-pyrrole-2,5-dione",O=C1C=CC(=O)N1c2ccc(cc2)c3nc4ccccc4[nH]3,O=C1C=CC(=O)N1c2ccc(cc2)c3nc4ccccc4[nH]3,"InChI=1/C17H11N3O2/c21-15-9-10-16(22)20(15)12-7-5-11(6-8-12)17-18-13-3-1-2-4-14(13)19-17/h1-10H,(H,18,19)",C17H11N3O2,,,,,,NZDOXVCRXDAVII-UHFFFAOYSA-N,,,,,,,,,,,
100.043.782,248-175-4,27031-08-9,Sulfaguanole,"4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)carbamimidoyl]benzenesulfonamide",Cc1oc(NC(=N)NS(=O)(=O)c2ccc(N)cc2)nc1C,Cc1oc(NC(=N)NS(=O)(=O)c2ccc(N)cc2)nc1C,"InChI=1/C12H15N5O3S/c1-7-8(2)20-12(15-7)16-11(14)17-21(18,19)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3,(H3,14,15,16,17)",C12H15N5O3S,,,,,,IJZUQDQOAFUFJY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.511,244-578-4,21784-78-1,Nickel(2+) silicate,nickel(2+) oxosilanediolate,[Ni+2].[O-][Si](=O)[O-],[Ni+2].[O-][Si](=O)[O-],InChI=1/Ni.O3Si/c;1-4(2)3/q+2;-2,H2O3Si.Ni,,,,,,FMQXRRZIHURSLR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.628,245-807-0,23654-14-0,Tributylthiocyanatostannane,tributyl(cyanosulfanyl)stannane,CCCC[Sn](CCCC)(CCCC)SC#N,CCCC[Sn](CCCC)(CCCC)SC#N,"InChI=1/3C4H9.CHNS.Sn/c3*1-3-4-2;2-1-3;/h3*1,3-4H2,2H3;3H;/q;;;;+1/p-1/rC13H27NSSn/c1-4-7-10-16(15-13-14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C13H27NSSn,,,,,,UNZLNUJIVSVHRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.041.267,245-410-2,23068-96-4,"Ethyl 2,6,6-trimethyl-4-oxocyclohex-2-ene-1-carboxylate","ethyl 2,6,6-trimethyl-4-oxocyclohex-2-ene-1-carboxylate",CCOC(=O)C1C(=CC(=O)CC1(C)C)C,CCOC(=O)C1C(=CC(=O)CC1(C)C)C,"InChI=1/C12H18O3/c1-5-15-11(14)10-8(2)6-9(13)7-12(10,3)4/h6,10H,5,7H2,1-4H3",C12H18O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18718,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.267,ZJFLUTUHAQHFCA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.268,245-411-8,23074-10-4,5-ethyl-2-furaldehyde,5-ethyl-2-furaldehyde,CCc1oc(C=O)cc1,CCc1oc(C=O)cc1,"InChI=1/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3",C7H8O2,,,,,,XADGZBXFWQHBDB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.269,245-412-3,23074-36-4,2-bromobut-1-ene,2-bromobut-1-ene,CCC(=C)Br,CCC(=C)Br,"InChI=1/C4H7Br/c1-3-4(2)5/h2-3H2,1H3",C4H7Br,,,,,,HQMXRIGBXOFKIU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.271,245-414-4,23074-59-1,3-isobutoxycyclohex-2-en-1-one,3-isobutoxycyclohex-2-en-1-one,CC(C)COC1=CC(=O)CCC1,CC(C)COC1=CC(=O)CCC1,"InChI=1/C10H16O2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h6,8H,3-5,7H2,1-2H3",C10H16O2,,,,,,FKJAZODXPHIGOL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.273,245-417-0,23076-35-9,"5,6-dihydro-2-(2,6-xylidino)-4H-1,3-thiazine monohydrochloride","N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine hydrochloride",Cl.Cc1cccc(C)c1NC2=NCCCS2,Cl.Cc1cccc(C)c1NC2=NCCCS2,"InChI=1/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H",C12H16N2S.ClH,,,,,,QYEFBJRXKKSABU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.274,245-418-6,23077-32-9,2-hydroxy-9H-carbazole-1-carboxylic acid,2-hydroxy-9H-carbazole-1-carboxylic acid,OC(=O)c1c(O)ccc2c3ccccc3[nH]c12,OC(=O)c1c(O)ccc2c3ccccc3[nH]c12,"InChI=1/C13H9NO3/c15-10-6-5-8-7-3-1-2-4-9(7)14-12(8)11(10)13(16)17/h1-6,14-15H,(H,16,17)",C13H9NO3,,,,,,HQOBDLCAOWRBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.278,245-422-8,23087-46-9,"Acetic acid, ammonium copper salt",-,[Cu].N.CC(O)=O,[Cu].N.CC(O)=O,"InChI=1/C2H4O2.Cu.H3N/c1-2(3)4;;/h1H3,(H,3,4);;1H3/q;+1;",C2H4O2.xCu.xH3N,,,,,,STBBNCFDTGWWIT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.295,245-441-1,23128-51-0,"2,2'-[[5-acetamido-2-methoxyphenyl]imino]diethyl diacetate","[(5-acetamido-2-methoxyphenyl)imino]diethane-2,1-diyl diacetate",COc1ccc(NC(=O)C)cc1N(CCOC(=O)C)CCOC(=O)C,COc1ccc(NC(=O)C)cc1N(CCOC(=O)C)CCOC(=O)C,"InChI=1/C17H24N2O6/c1-12(20)18-15-5-6-17(23-4)16(11-15)19(7-9-24-13(2)21)8-10-25-14(3)22/h5-6,11H,7-10H2,1-4H3,(H,18,20)",C17H24N2O6,,,,,,AEQXCNSBJJHGGE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.296,245-442-7,23128-74-7,"N,N'-hexane-1,6-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenylpropionamide]","N,N'-hexane-1,6-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]",CC(C)(C)c1cc(CCC(=O)NCCCCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CCC(=O)NCCCCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)",C40H64N2O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13768,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.296,OKOBUGCCXMIKDM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.298,245-444-8,23133-37-1,1-propyl-4-piperidone,1-propylpiperidin-4-one,CCCN1CCC(=O)CC1,CCCN1CCC(=O)CC1,"InChI=1/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3",C8H15NO,,,,,,YGDZKYYCJUNORF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.128,250-757-8,31675-93-1,"3-[[4-[[8-(benzoylamino)-1-hydroxy-3,6-disulpho-2-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-4-hydroxy-5-[[4-(methylsulphonyl)benzoyl]amino]naphthalene-2,7-disulphonic acid","5-(benzoylamino)-4-hydroxy-3-({4-[(1-hydroxy-8-{[4-(methylsulfonyl)benzoyl]amino}-3,6-disulfo-2-naphthyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)naphthalene-2,7-disulfonic acid",COc7cc(N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c(cc7N=Nc6c(cc5cc(cc(NC(=O)c4ccc(cc4)S(C)(=O)=O)c5c6O)S(O)(=O)=O)S(O)(=O)=O)OC,COc7cc(N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c(cc7N=Nc6c(cc5cc(cc(NC(=O)c4ccc(cc4)S(C)(=O)=O)c5c6O)S(O)(=O)=O)S(O)(=O)=O)OC,"InChI=1/C43H34N6O20S5/c1-68-32-20-29(47-49-39-35(74(65,66)67)16-24-14-27(72(59,60)61)18-31(37(24)41(39)51)45-43(53)22-9-11-25(12-10-22)70(3,54)55)33(69-2)19-28(32)46-48-38-34(73(62,63)64)15-23-13-26(71(56,57)58)17-30(36(23)40(38)50)44-42(52)21-7-5-4-6-8-21/h4-20,50-51H,1-3H3,(H,44,52)(H,45,53)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)",C43H34N6O20S5,,,,,,OTAVFSUYDCNWOO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.134,250-764-6,31687-58-8,"N,1-bis(tert-butoxycarbonyl)-L-histidine, compound with dicyclohexylamine (1:1)","N,1-bis(tert-butoxycarbonyl)-L-histidine - N-cyclohexylcyclohexanamine (1:1)",CC(C)(C)OC(=O)N[C@@H](Cc1cn(cn1)C(=O)OC(C)(C)C)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC(=O)N[C@@H](Cc1cn(cn1)C(=O)OC(C)(C)C)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C16H25N3O6.C12H23N/c1-15(2,3)24-13(22)18-11(12(20)21)7-10-8-19(9-17-10)14(23)25-16(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9,11H,7H2,1-6H3,(H,18,22)(H,20,21);11-13H,1-10H2",C16H25N3O6.C12H23N,,,,,,WBGMQHNUPJENDC-MERQFXBCSA-N,,,,,,,,,,,
100.039.626,243-605-7,20215-36-5,Sodium 8-hydroxynaphthalene-1-sulphonate,sodium 8-hydroxynaphthalene-1-sulfonate,[Na+].Oc1cccc2cccc(c12)S(=O)(=O)[O-],[Na+].Oc1cccc2cccc(c12)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,PEYXCGCCIWJCTM-UHFFFAOYSA-M,,,,,,,,,,,
100.039.630,243-609-9,20226-63-5,"Sodium 2,3,5-trichlorophenolate","sodium 2,3,5-trichlorophenolate",[Na+].[O-]c1cc(Cl)cc(Cl)c1Cl,[Na+].[O-]c1cc(Cl)cc(Cl)c1Cl,"InChI=1/C6H3Cl3O.Na/c7-3-1-4(8)6(9)5(10)2-3;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.Na,,,,,,CZAHHQCARWJIIX-UHFFFAOYSA-M,,,,,,,,,,,
100.039.631,243-610-4,20227-53-6,2-(tert-butyl)-4-[1-[3-(tert-butyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) phosphite,2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)-1-methylethyl]phenyl bis(4-nonylphenyl) phosphite,CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc3ccc(cc3C(C)(C)C)C(C)(C)c4ccc(O)c(c4)C(C)(C)C)cc1,CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc3ccc(cc3C(C)(C)C)C(C)(C)c4ccc(O)c(c4)C(C)(C)C)cc1,"InChI=1/C53H77O4P/c1-11-13-15-17-19-21-23-25-41-27-33-45(34-28-41)55-58(56-46-35-29-42(30-36-46)26-24-22-20-18-16-14-12-2)57-50-38-32-44(40-48(50)52(6,7)8)53(9,10)43-31-37-49(54)47(39-43)51(3,4)5/h27-40,54H,11-26H2,1-10H3",C53H77O4P,,,,,,GVCIJKWSBDKBJP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.636,243-616-7,20231-81-6,"(3ß,5a)-3-[(6-O-ß-D-glucopyranosyl-ß-D\-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide",3-[(6-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide,CC12CCC(CC1CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O,CC12CCC(CC1CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O,"InChI=1/C35H54O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h11,17-23,25-32,36,38-44H,3-10,12-15H2,1-2H3",C35H54O14,,,,,,COIUWGNHAYDCDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.638,243-618-8,20232-79-5,4-pyridylammonium 4-pyridyldithiocarbamate,pyridin-4-aminium pyridin-4-yldithiocarbamate,[NH3+]c1ccncc1.[S-]C(=S)Nc2ccncc2,[NH3+]c1ccncc1.[S-]C(=S)Nc2ccncc2,"InChI=1/C6H6N2S2.C5H6N2/c9-6(10)8-5-1-3-7-4-2-5;6-5-1-3-7-4-2-5/h1-4H,(H2,7,8,9,10);1-4H,(H2,6,7)",C6H6N2S2.C5H6N2,,,,,,MHHBYQRHDMNSPP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.640,243-620-9,20236-55-9,"Barium bis(2,4,6-trinitroresorcinolate)","barium bis(2,4,6-trinitroresorcinolate)",[Ba+2].[Ba+2].[O-]c1c(cc(c([O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(c([O-])c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Ba+2].[Ba+2].[O-]c1c(cc(c([O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(c([O-])c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/2C6H3N3O8.2Ba/c2*10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;;/h2*1,10-11H;;/q;;2*+2/p-4",C6H3N3O8.1/2Ba,,,,,,IYSKAJPMIYQNRE-UHFFFAOYSA-J,,,,,,,,,,,
100.039.647,243-628-2,20241-55-8,"Disodium 4-(benzoylamino)-5-hydroxynaphthalene-1,7-disulphonate","disodium 4-(benzoylamino)-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].Oc1cc(cc2c(ccc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2c(ccc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C17H13NO8S2.2Na/c19-14-9-11(27(21,22)23)8-12-15(28(24,25)26)7-6-13(16(12)14)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C17H13NO8S2.2Na,,,,,,NIANCZCABFGLTR-UHFFFAOYSA-L,,,,,,,,,,,
100.039.648,243-629-8,20241-68-3,4-amino-N-[3-[(2-hydroxyethyl)sulphonyl]phenyl]benzamide,4-amino-N-{3-[(2-hydroxyethyl)sulfonyl]phenyl}benzamide,Nc1ccc(cc1)C(=O)Nc2cccc(c2)S(=O)(=O)CCO,Nc1ccc(cc1)C(=O)Nc2cccc(c2)S(=O)(=O)CCO,"InChI=1/C15H16N2O4S/c16-12-6-4-11(5-7-12)15(19)17-13-2-1-3-14(10-13)22(20,21)9-8-18/h1-7,10,18H,8-9,16H2,(H,17,19)",C15H16N2O4S,,,,,,ZXRPDBDIBLUWFT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.649,243-630-3,20241-74-1,"1,4-bis[(2,6-diethylphenyl)amino]anthraquinone","1,4-bis[(2,6-diethylphenyl)amino]-9,10-anthraquinone",CCc1cccc(CC)c1Nc2ccc(Nc3c(CC)cccc3CC)c4C(=O)c5ccccc5C(=O)c24,CCc1cccc(CC)c1Nc2ccc(Nc3c(CC)cccc3CC)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C34H34N2O2/c1-5-21-13-11-14-22(6-2)31(21)35-27-19-20-28(36-32-23(7-3)15-12-16-24(32)8-4)30-29(27)33(37)25-17-9-10-18-26(25)34(30)38/h9-20,35-36H,5-8H2,1-4H3",C34H34N2O2,,,,,,YDWOAJFKMUQBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.650,243-631-9,20241-75-2,"1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]anthraquinone","1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2ccc(O)c3C(=O)c4c(Nc5ccc(C)cc5)ccc(O)c4C(=O)c23)cc1,Cc1ccc(Nc2ccc(O)c3C(=O)c4c(Nc5ccc(C)cc5)ccc(O)c4C(=O)c23)cc1,"InChI=1/C28H22N2O4/c1-15-3-7-17(8-4-15)29-19-11-13-21(31)25-23(19)27(33)26-22(32)14-12-20(24(26)28(25)34)30-18-9-5-16(2)6-10-18/h3-14,29-32H,1-2H3",C28H22N2O4,,,,,,USXUIUWGIGFKRR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.651,243-632-4,20241-76-3,"1,8-dihydroxy-4-nitro-5-(phenylamino)anthraquinone","1-anilino-4,5-dihydroxy-8-nitro-9,10-anthraquinone",Oc1ccc(Nc2ccccc2)c3C(=O)c4c(C(=O)c13)c(O)ccc4[N+](=O)[O-],Oc1ccc(Nc2ccccc2)c3C(=O)c4c(C(=O)c13)c(O)ccc4[N+](=O)[O-],"InChI=1/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25/h1-9,21,23-24H",C20H12N2O6,,,,,,DYALWCKAJBVSBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.654,243-636-6,20243-64-5,Manganese(2+) myristate,manganese(2+) ditetradecanoate,[Mn+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],[Mn+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C14H28O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2",C14H28O2.1/2Mn,,,,,,MZMFPNGJGSGPQU-UHFFFAOYSA-L,,,,,,,,,,,
100.046.163,250-796-0,31774-90-0,Ethyltris(2-hydroxyethyl)ammonium ethyl sulphate,"N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium ethyl sulfate",CCOS(=O)(=O)[O-].CC[N+](CCO)(CCO)CCO,CCOS(=O)(=O)[O-].CC[N+](CCO)(CCO)CCO,"InChI=1/C8H20NO3.C2H6O4S/c1-2-9(3-6-10,4-7-11)5-8-12;1-2-6-7(3,4)5/h10-12H,2-8H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C8H20NO3.C2H5O4S,,,,,,PNFMXLLFVHQXKA-UHFFFAOYSA-M,,,,,,,,,,,
100.045.625,250-204-0,30448-43-2,Di-tert-butyl phthalate,di-tert-butyl phthalate,CC(C)(C)OC(=O)c1ccccc1C(=O)OC(C)(C)C,CC(C)(C)OC(=O)c1ccccc1C(=O)OC(C)(C)C,"InChI=1/C16H22O4/c1-15(2,3)19-13(17)11-9-7-8-10-12(11)14(18)20-16(4,5)6/h7-10H,1-6H3",C16H22O4,,,,,,RYCNBIYTZSGSPI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.634,250-214-5,30472-11-8,Ethylmagnesium(1+) tetraethylaluminate(1-),ethylmagnesium(1+) tetraethylaluminate(1-),CC[Mg+].CC[Al-](CC)(CC)CC,CC[Mg+].CC[Al-](CC)(CC)CC,"InChI=1/5C2H5.Al.Mg/c5*1-2;;/h5*1H2,2H3;;/q;;;;;-1;+1/rC8H20Al.C2H5Mg/c1-5-9(6-2,7-3)8-4;1-2-3/h5-8H2,1-4H3;2H2,1H3/q-1;+1",C8H20Al.C2H5Mg,,,,,,FRBGEGYWXCSQRM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.636,250-216-6,30484-77-6,(E)-1-[bis(4-fluorophenyl)methyl]-4-cinnamylpiperazine dihydrochloride,1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine dihydrochloride,Cl.Cl.Fc1ccc(cc1)C(N2CCN(C\\C=C\\c3ccccc3)CC2)c4ccc(F)cc4,Cl.Cl.Fc1ccc(cc1)C(N2CCN(C\C=C\c3ccccc3)CC2)c4ccc(F)cc4,"InChI=1/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H",C26H26F2N2.2ClH,,,,,,RXKMOPXNWTYEHI-RDRKJGRWSA-N,,,,,,,,,,,
100.045.640,250-220-8,30498-86-3,Bis(2-phenylvinyl)phenol,"2,3-bis(2-phenylvinyl)phenol",Oc1cccc(\\C=C\\c2ccccc2)c1\\C=C\\c3ccccc3,Oc1cccc(\C=C\c2ccccc2)c1\C=C\c3ccccc3,"InChI=1/C22H18O/c23-22-13-7-12-20(16-14-18-8-3-1-4-9-18)21(22)17-15-19-10-5-2-6-11-19/h1-17,23H",C22H18O,,,,,,QFJLGRCDVFOSJG-YXLFCKQPSA-N,,,,,,,,,,,
100.045.645,250-226-0,30517-87-4,"(±)-(1a,2a,5a)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one","2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",CC1C2CC(CC1=O)C2(C)C,CC1C2CC(CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,MQPHVIPKLRXGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.649,250-230-2,30540-34-2,Diazidomethylphenylsilane,(diazidomethyl)(phenyl)silane,[N-]=[N+]=NC([SiH2]c1ccccc1)N=[N+]=[N-],[N-]=[N+]=NC([SiH2]c1ccccc1)N=[N+]=[N-],"InChI=1/C7H8N6Si/c8-12-10-7(11-13-9)14-6-4-2-1-3-5-6/h1-5,7H,14H2",C7H8N6Si,,,,,,LMLYMGCUQYVGSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.650,250-231-8,30544-47-9,Etofenamate,2-(2-hydroxyethoxy)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate,OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,"InChI=1/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2",C18H18F3NO4,,,,,,XILVEPYQJIOVNB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.653,250-234-4,30551-66-7,Vinylbenzoic acid,2-vinylbenzoic acid,OC(=O)c1ccccc1C=C,OC(=O)c1ccccc1C=C,"InChI=1/C9H8O2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H2,(H,10,11)",C9H8O2,,,,,,XUDBVJCTLZTSDC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.656,250-238-6,30554-73-5,Tribromotrichlorocyclohexane,"1,1,2-tribromo-2,3,3-trichlorocyclohexane",ClC1(Cl)CCCC(Br)(Br)C1(Cl)Br,ClC1(Cl)CCCC(Br)(Br)C1(Cl)Br,"InChI=1/C6H6Br3Cl3/c7-4(8)2-1-3-5(10,11)6(4,9)12/h1-3H2",C6H6Br3Cl3,,,,,,XEWVENACMFDEBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.657,250-239-1,30558-43-1,Methyl 2-(dimethylamino)-N-hydroxy-2-oxothioimidoacetate,methyl 2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate,CN(C)C(=O)C(=NO)SC,CN(C)C(=O)C(=NO)SC,"InChI=1/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3",C5H10N2O2S,,,,,,KIDWGGCIROEJJW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.659,250-241-2,30560-19-1,Acephate,"O,S-dimethyl acetylamidothiophosphate",COP(=O)(NC(=O)C)SC,COP(=O)(NC(=O)C)SC,"InChI=1/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)",C4H10NO3PS,,,,,,YASYVMFAVPKPKE-UHFFFAOYSA-N,Positive/Negative,AU311101|AU311102|AU311103|AU311104|AU311105,[M+H]+,CID10|CID20|CID30|CID40|CID50,142.9929:144.9887:143.995|142.9928:124.982:142.0083|142.9927:124.9824:142.0092|124.9822:142.9921:110.9665|124.9817:142.9908,Athens_Univ,AU311151,[M-H]-,CID10,182.0027:140.9759,Athens_Univ
100.045.660,250-242-8,30562-09-5,"(Z,E)-tetradeca-9,11-dienyl acetate","tetradeca-9,11-dien-1-yl acetate",CC(=O)OCCCCCCCCC=CC=CCC,CC(=O)OCCCCCCCCC=CC=CCC,"InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3",C16H28O2,,,,,,RFEQLTBBKNKGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.664,250-247-5,30574-97-1,(E)-2-methyl-2-butenenitrile,2-methylbut-2-enenitrile,C\\C=C(/C)\\C#N,C\C=C(/C)\C#N,"InChI=1/C5H7N/c1-3-5(2)4-6/h3H,1-2H3",C5H7N,,,,,,IHXNSHZBFXGOJM-HWKANZROSA-N,,,,,,,,,,,
100.045.668,250-251-7,30583-08-5,Piperazine 2-oxobornane-10-sulphonate,"(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid - piperazine (1:1)",CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.C3CNCCN3,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.C3CNCCN3,"InChI=1/C10H16O4S.C4H10N2/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-2-6-4-3-5-1/h7H,3-6H2,1-2H3,(H,12,13,14);5-6H,1-4H2",C10H16O4S.xC4H10N2,,,,,,JSAZTUYNZHDFNH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.514,244-582-6,21794-01-4,"[4R*,5S*(R*),10S*[S*(S*)]]-(+)-10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone","4-hydroxy-5-(1-hydroxyheptyl)-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-5,9,10,11-tetrahydro-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone",CCCCCCC(O)C1C(O)C2=C(CC(CC3=C1C(=O)OC3=O)C(O)C4CC=CC(=O)O4)C(=O)OC2=O,CCCCCCC(O)C1C(O)C2=C(CC(CC3=C1C(=O)OC3=O)C(O)C4CC=CC(=O)O4)C(=O)OC2=O,"InChI=1/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3",C26H30O11,,,,,,ZJTBTDVZNGBSNG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.515,244-583-1,21797-50-2,Phenyl a-D-mannopyranoside,phenyl alpha-D-mannopyranoside,OC[C@H]1O[C@H](Oc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](Oc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2",C12H16O6,,,,,,NEZJDVYDSZTRFS-GCHJQGSQSA-N,,,,,,,,,,,
100.040.520,244-588-9,21810-39-9,Diethylmethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium methyl sulphate,N-[2-(acryloyloxy)ethyl]pentan-3-aminium methyl sulfate,CCC(CC)[NH2+]CCOC(=O)C=C.COS(=O)(=O)[O-],CCC(CC)[NH2+]CCOC(=O)C=C.COS(=O)(=O)[O-],"InChI=1/C10H19NO2.CH4O4S/c1-4-9(5-2)11-7-8-13-10(12)6-3;1-5-6(2,3)4/h6,9,11H,3-5,7-8H2,1-2H3;1H3,(H,2,3,4)",C10H20NO2.CH3O4S,,,,,,SOMTYRDEJGYXHU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.522,244-591-5,21811-94-9,2-[[2-hydroxy-5-[(methylamino)sulphonyl]phenyl]azo]-3-oxo-N-phenylbutyramide,2-{[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl}-3-oxo-N-phenylbutanamide,Oc2ccc(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)S(=O)(=O)NC,Oc2ccc(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)S(=O)(=O)NC,"InChI=1/C17H18N4O5S/c1-11(22)16(17(24)19-12-6-4-3-5-7-12)21-20-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,16,18,23H,1-2H3,(H,19,24)",C17H18N4O5S,,,,,,JDADFXDXAQJCDH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.526,244-595-7,21825-03-6,"4,4'-methylenebis[2,6-dibromophenol]","4,4'-methylenebis(2,6-dibromophenol)",Oc1c(Br)cc(Cc2cc(Br)c(O)c(Br)c2)cc1Br,Oc1c(Br)cc(Cc2cc(Br)c(O)c(Br)c2)cc1Br,"InChI=1/C13H8Br4O2/c14-8-2-6(3-9(15)12(8)18)1-7-4-10(16)13(19)11(17)5-7/h2-5,18-19H,1H2",C13H8Br4O2,,,,,,WPZJSWWEEJJSIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.528,244-597-8,21828-44-4,Aluminium methacrylate,aluminum tris(2-methylacrylate),[Al+3].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Al+3].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/3C4H6O2.Al/c3*1-3(2)4(5)6;/h3*1H2,2H3,(H,5,6);/q;;;+3/p-3",C4H6O2.1/3Al,,,,,,MFPROKIABJECGK-UHFFFAOYSA-K,,,,,,,,,,,
100.040.533,244-602-3,21834-92-4,5-methyl-2-phenylhex-2-enal,5-methyl-2-phenylhex-2-enal,CC(C)CC=C(C=O)c1ccccc1,CC(C)CC=C(C=O)c1ccccc1,"InChI=1/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3",C13H16O,,,,,,YURDCJXYOLERLO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.534,244-603-9,21834-98-0,"2-hydroxy-3,5-dimethylcyclopent-2-en-1-one","2-hydroxy-3,5-dimethylcyclopent-2-en-1-one",CC1CC(=C(O)C1=O)C,CC1CC(=C(O)C1=O)C,"InChI=1/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4,9H,3H2,1-2H3",C7H10O2,,,,,,RLEJFFGSMZQXJX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.541,244-611-2,21840-04-0,"N-octadecyl-1,3,5-triazine-2,4,6-triamine","N~2~-octadecyl-1,3,5-triazine-2,4,6-triamine",CCCCCCCCCCCCCCCCCCNc1nc(N)nc(N)n1,CCCCCCCCCCCCCCCCCCNc1nc(N)nc(N)n1,"InChI=1/C21H42N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21-26-19(22)25-20(23)27-21/h2-18H2,1H3,(H5,22,23,24,25,26,27)",C21H42N6,,,,,,YVQGTGVCLMMSTL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.543,244-613-3,21843-46-9,Bis(acryloyloxy)dibutylstannane,bis(acryloyloxy)(dibutyl)stannane,CCCC[Sn](CCCC)(OC(=O)C=C)OC(=O)C=C,CCCC[Sn](CCCC)(OC(=O)C=C)OC(=O)C=C,"InChI=1/2C4H9.2C3H4O2.Sn/c2*1-3-4-2;2*1-2-3(4)5;/h2*1,3-4H2,2H3;2*2H,1H2,(H,4,5);/q;;;;+2/p-2/rC14H24O4Sn/c1-5-9-11-19(12-10-6-2,17-13(15)7-3)18-14(16)8-4/h7-8H,3-6,9-12H2,1-2H3",C14H24O4Sn,,,,,,PTXVMRHAGBKZAC-UHFFFAOYSA-L,,,,,,,,,,,
100.040.551,244-622-2,21856-89-3,6-hydroxyhexan-2-one,6-hydroxyhexan-2-one,CC(=O)CCCCO,CC(=O)CCCCO,"InChI=1/C6H12O2/c1-6(8)4-2-3-5-7/h7H,2-5H2,1H3",C6H12O2,,,,,,UALYCKSVHDYQRP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.552,244-623-8,21870-06-4,(±)-1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol,1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1cccc2[nH]ccc12,CC(C)NCC(O)COc1cccc2[nH]ccc12,"InChI=1/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3",C14H20N2O2,,,,,,JZQKKSLKJUAGIC-UHFFFAOYSA-N,Positive,UF409801|UF409802|UF409803|UF409804,[M+H]+,HCD55|HCD80|CID35|CID55,116.107:172.0758:146.0601|134.0601:144.0808:74.06|116.107:172.0759:249.1599|116.107:172.0758:146.06,UFZ,,,,,
100.042.463,246-725-8,25188-23-2,"7,7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)naphthalene-2-sulphonic] acid",4-hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfo-2-naphthyl]carbamoyl}amino)-3-(phenyldiazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5)c6O)S(O)(=O)=O,OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5)c6O)S(O)(=O)=O,"InChI=1/C33H24N6O9S2/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)",C33H24N6O9S2,,,,,,XKNUVBQTZXGYHL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.467,246-730-5,25198-22-5,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium chloride,"2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium chloride",[Cl-].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O,[Cl-].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O,"InChI=1/C19H25ClN5O2.ClH/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;/h6-11,14H,5,12-13H2,1-4H3;1H/q+1;/p-1",C19H25ClN5O2.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17725,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.467,ZFRUNHQZTYGGDY-UHFFFAOYSA-M,,,,,,,,,,,
100.046.135,250-765-1,31697-10-6,Ethyl 3-hydrazino-5-methyl-1H-pyrazole-4-carboxylate monohydrochloride,ethyl 5-hydrazino-3-methyl-1H-pyrazole-4-carboxylate hydrochloride,Cl.CCOC(=O)c1c(C)n[nH]c1NN,Cl.CCOC(=O)c1c(C)n[nH]c1NN,"InChI=1/C7H12N4O2.ClH/c1-3-13-7(12)5-4(2)10-11-6(5)9-8;/h3,8H2,1-2H3,(H2,9,10,11);1H",C7H12N4O2.ClH,,,,,,MIVXLCHQGQNODO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.148,250-779-8,31718-58-8,[1-methyl-2-[(1-oxoallyl)oxy]ethyl] hydrogen maleate,4-[2-(acryloyloxy)-1-methylethoxy]-4-oxobut-2-enoic acid,CC(COC(=O)C=C)OC(=O)\\C=C/C(=O)O,CC(COC(=O)C=C)OC(=O)\C=C/C(=O)O,"InChI=1/C10H12O6/c1-3-9(13)15-6-7(2)16-10(14)5-4-8(11)12/h3-5,7H,1,6H2,2H3,(H,11,12)",C10H12O6,,,,,,QHNMXBRCQQYQST-PLNGDYQASA-N,,,,,,,,,,,
100.046.151,250-782-4,31732-71-5,"(R*,S*)-8,9-dibromo-5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadecane","8,9-dibromo-5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadecane",CCCC[Sn](CCCC)(CCCC)OC(=O)C(Br)C(Br)C(=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OC(=O)C(Br)C(Br)C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C4H4Br2O4.6C4H9.2Sn/c5-1(3(7)8)2(6)4(9)10;6*1-3-4-2;;/h1-2H,(H,7,8)(H,9,10);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC28H56Br2O4Sn2/c1-7-13-19-35(20-14-8-2,21-15-9-3)33-27(31)25(29)26(30)28(32)34-36(22-16-10-4,23-17-11-5)24-18-12-6/h25-26H,7-24H2,1-6H3",C28H56Br2O4Sn2,,,,,,JOMPHQTZQORMCX-UHFFFAOYSA-L,,,,,,,,,,,
100.046.155,250-787-1,31745-32-1,"Phosphoric acid, ammonium sodium salt",ammonium sodium hydrogen phosphate,[NH4+].[Na+].OP(=O)([O-])[O-],[NH4+].[Na+].OP(=O)([O-])[O-],"InChI=1/H3N.Na.H3O4P/c;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q;+1;/p-1",H3N.xH3O4P.xNa,,,,,,CUXQLKLUPGTTKL-UHFFFAOYSA-M,,,,,,,,,,,
100.045.626,250-205-6,30449-81-1,"p-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridyl)azo]-N-(2-ethylhexyl)benzamide","4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-N-(2-ethylhexyl)benzamide",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1ccc(cc1)C(=O)NCC(CC)CCCC)=C(\\O)N2C,O=C2C(/C#N)=C(/C)\C(\N=Nc1ccc(cc1)C(=O)NCC(CC)CCCC)=C(\O)N2C,"InChI=1/C23H29N5O3/c1-5-7-8-16(6-2)14-25-21(29)17-9-11-18(12-10-17)26-27-20-15(3)19(13-24)22(30)28(4)23(20)31/h9-12,16,31H,5-8,14H2,1-4H3,(H,25,29)",C23H29N5O3,,,,,,OLNYUSPPYWNQEV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.628,250-207-7,30453-20-4,"4,4'-dithiobisbutan-1-ol","4,4'-disulfanediyldibutan-1-ol",OCCCCSSCCCCO,OCCCCSSCCCCO,"InChI=1/C8H18O2S2/c9-5-1-3-7-11-12-8-4-2-6-10/h9-10H,1-8H2",C8H18O2S2,,,,,,RUCLWVAQWOEEPY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.637,250-217-1,30492-56-9,Diethyl (ethoxyacetyl)phosphonate,diethyl (ethoxyacetyl)phosphonate,CCOCC(=O)P(=O)(OCC)OCC,CCOCC(=O)P(=O)(OCC)OCC,"InChI=1/C8H17O5P/c1-4-11-7-8(9)14(10,12-5-2)13-6-3/h4-7H2,1-3H3",C8H17O5P,,,,,,CNRJHNUKTBRUGP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.639,250-219-2,30496-93-6,Benzenedisulphonic acid,"benzene-1,2-disulfonic acid",OS(=O)(=O)c1ccccc1S(=O)(=O)O,OS(=O)(=O)c1ccccc1S(=O)(=O)O,"InChI=1/C6H6O6S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)",C6H6O6S2,,,,,,MIAUJDCQDVWHEV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.641,250-221-3,30500-51-7,Isononyl stearate,7-methyloctyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC(C)C,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC(C)C,"InChI=1/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(28)29-25-22-19-18-20-23-26(2)3/h26H,4-25H2,1-3H3",C27H54O2,,,,,,XUVVLJKRLAXOKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.644,250-225-5,30515-28-7,7-bromoheptanoic acid,7-bromoheptanoic acid,OC(=O)CCCCCCBr,OC(=O)CCCCCCBr,"InChI=1/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)",C7H13BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18695,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.644,JLPQXFFMVVPIRW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.652,250-233-9,30551-17-8,Nonadienal,"nona-2,4-dienal",CCCCC=CC=CC=O,CCCCC=CC=CC=O,"InChI=1/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3",C9H14O,,,,,,ZHHYXNZJDGDGPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.658,250-240-7,30558-50-0,2-(dimethylamino)-N-hydroxy-2-oxoacetimidoyl chloride,2-(dimethylamino)-N-hydroxy-2-oxoethanimidoyl chloride,CN(C)C(=O)C(Cl)=NO,CN(C)C(=O)C(Cl)=NO,"InChI=1/C4H7ClN2O2/c1-7(2)4(8)3(5)6-9/h9H,1-2H3",C4H7ClN2O2,,,,,,XREBYUVOZCUOES-UHFFFAOYSA-N,,,,,,,,,,,
100.045.670,250-253-8,30586-13-1,Sodium [[4-[(4-amino-m-tolyl)(p-anilinophenyl)hydroxymethyl]phenyl]amino]benzenesulphonate,sodium 2-({4-[(4-amino-3-methylphenyl)(4-anilinophenyl)hydroxymethyl]phenyl}amino)benzenesulfonate,[Na+].Cc1cc(ccc1N)C(O)(c2ccc(Nc3ccccc3)cc2)c4ccc(Nc5ccccc5S(=O)(=O)[O-])cc4,[Na+].Cc1cc(ccc1N)C(O)(c2ccc(Nc3ccccc3)cc2)c4ccc(Nc5ccccc5S(=O)(=O)[O-])cc4,"InChI=1/C32H29N3O4S.Na/c1-22-21-25(15-20-29(22)33)32(36,23-11-16-27(17-12-23)34-26-7-3-2-4-8-26)24-13-18-28(19-14-24)35-30-9-5-6-10-31(30)40(37,38)39;/h2-21,34-36H,33H2,1H3,(H,37,38,39);/q;+1/p-1",C32H29N3O4S.Na,,,,,,SGEBIVXBQPYFGF-UHFFFAOYSA-M,,,,,,,,,,,
100.041.637,245-817-5,23676-08-6,Methyl 4-ethoxybenzoate,methyl 4-ethoxybenzoate,CCOc1ccc(cc1)C(=O)OC,CCOc1ccc(cc1)C(=O)OC,"InChI=1/C10H12O3/c1-3-13-9-6-4-8(5-7-9)10(11)12-2/h4-7H,3H2,1-2H3",C10H12O3,,,,,,RNHXTCZZACTEMK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.644,245-824-3,23691-27-2,"(1,3,3,3-tetrachloropropyl)benzene","(1,3,3,3-tetrachloropropyl)benzene",ClC(CC(Cl)(Cl)Cl)c1ccccc1,ClC(CC(Cl)(Cl)Cl)c1ccccc1,"InChI=1/C9H8Cl4/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h1-5,8H,6H2",C9H8Cl4,,,,,,JJRCOEWDFJHOFK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.662,243-645-5,20259-31-8,Iron tridocosanoate,iron(3+) tridocosanoate,[Fe+3].CCCCCCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCCCCCC([O-])=O,[Fe+3].CCCCCCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCCCCCC([O-])=O,"InChI=1/3C22H44O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h3*2-21H2,1H3,(H,23,24);/q;;;+3/p-3",C22H44O2.1/3Fe,,,,,,BJQGLJQMEZUCGL-UHFFFAOYSA-K,,,,,,,,,,,
100.039.666,243-649-7,20261-05-6,Ammonium malate,diammonium malate,[NH4+].[NH4+].OC(CC(=O)[O-])C(=O)[O-],[NH4+].[NH4+].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.2H3N/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);2*1H3",C4H6O5.xH3N,,,,,,KGECWXXIGSTYSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.626,248-004-3,26787-84-8,Sodium (R)-(4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]acetate,sodium (4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate,[Na+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OC)C([O-])=O,[Na+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OC)C([O-])=O,"InChI=1/C13H15NO5.Na/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1",C13H15NO5.Na,,,,,,GOKJACUSSDJUBD-UTONKHPSSA-M,,,,,,,,,,,
100.043.632,248-011-1,26805-39-0,Ethyl 3-(acetoxy)isocrotonate,ethyl 3-acetoxybut-2-enoate,CCOC(=O)\\C=C(/C)\\OC(=O)C,CCOC(=O)\C=C(/C)\OC(=O)C,"InChI=1/C8H12O4/c1-4-11-8(10)5-6(2)12-7(3)9/h5H,4H2,1-3H3",C8H12O4,,,,,,VSCUAMOPAHJJTA-AATRIKPKSA-N,,,,,,,,,,,
100.043.639,248-019-5,26830-95-5,2-nitro-4-toluonitrile,4-methyl-2-nitrobenzonitrile,Cc1ccc(C#N)c(c1)N(=O)=O,Cc1ccc(C#N)c(c1)N(=O)=O,"InChI=1/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3",C8H6N2O2,,,,,,QGBSLPHQCUIZKK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.643,248-023-7,26834-32-2,"2-methoxy(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol","2-methoxy-3-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1c(O)cccc1C2CC3CCC2(C)C3(C)C,COc1c(O)cccc1C2CC3CCC2(C)C3(C)C,"InChI=1/C17H24O2/c1-16(2)11-8-9-17(16,3)13(10-11)12-6-5-7-14(18)15(12)19-4/h5-7,11,13,18H,8-10H2,1-4H3",C17H24O2,,,,,,HCLWUTYGHSRLCR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.645,248-025-8,26836-28-2,Bis(2-ethylhexyl) dihydrogen diphosphate,bis(2-ethylhexyl) dihydrogen diphosphate,CCCCC(CC)COP(=O)(O)OP(=O)(O)OCC(CC)CCCC,CCCCC(CC)COP(=O)(O)OP(=O)(O)OCC(CC)CCCC,"InChI=1/C16H36O7P2/c1-5-9-11-15(7-3)13-21-24(17,18)23-25(19,20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)(H,19,20)",C16H36O7P2,,,,,,LMPDTDULXWWGSC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.647,248-027-9,26836-47-5,D-glucitol monostearate,1-O-stearoyl-D-glucitol,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h20-21,23-27,29-30H,2-19H2,1H3",C24H48O7,,,,,,KEFRSFBGIAUBNZ-CBJLPSGESA-N,,,,,,,,,,,
100.043.651,248-032-6,26839-75-8,"(S)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol","1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol",CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2,CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2,"InChI=1/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3",C13H24N4O3S,,,,,,BLJRIMJGRPQVNF-JTQLQIEISA-N,,,,,,,,,,,
100.043.654,248-035-2,26839-80-5,5-chloro-3-ethylpent-1-en-4-yn-3-ol,5-chloro-3-ethylpent-1-en-4-yn-3-ol,CCC(O)(C=C)C#CCl,CCC(O)(C=C)C#CCl,"InChI=1/C7H9ClO/c1-3-7(9,4-2)5-6-8/h3,9H,1,4H2,2H3",C7H9ClO,,,,,,FBIVTBYHXAWRQD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.656,248-037-3,26841-50-9,"4-[[3,3'-dichloro-4'-[[4,5-dihydro-3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-4-yl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(3,3'-dichloro-4'-{[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-4-yl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2Cl)c5ccc(N=NC4C(\\C)=N/N(c3ccccc3)C4=O)c(Cl)c5)C6=O,Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2Cl)c5ccc(N=NC4C(\C)=N/N(c3ccccc3)C4=O)c(Cl)c5)C6=O,"InChI=1/C33H26Cl2N8O2/c1-19-9-13-25(14-10-19)43-33(45)31(21(3)41-43)39-37-29-16-12-23(18-27(29)35)22-11-15-28(26(34)17-22)36-38-30-20(2)40-42(32(30)44)24-7-5-4-6-8-24/h4-18,30-31H,1-3H3",C33H26Cl2N8O2,,,,,,LNVYIWCCZZMTNX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.658,248-039-4,26842-43-3,"2-amino-2,4-dimethylvaleronitrile","2-amino-2,4-dimethylpentanenitrile",CC(C)CC(C)(N)C#N,CC(C)CC(C)(N)C#N,"InChI=1/C7H14N2/c1-6(2)4-7(3,9)5-8/h6H,4,9H2,1-3H3",C7H14N2,,,,,,PRTTZMKZMXANFG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.662,248-044-1,26846-51-5,"8-amino-2,6-dibromo-5-hydroxy-4-iminonaphthalen-1(4H)-one","8-amino-2,6-dibromo-5-hydroxy-4-iminonaphthalen-1(4H)-one",Nc1cc(Br)c(O)c2C(=N)C=C(Br)C(=O)c12,Nc1cc(Br)c(O)c2C(=N)C=C(Br)C(=O)c12,"InChI=1/C10H6Br2N2O2/c11-3-1-5(13)7-8(9(3)15)6(14)2-4(12)10(7)16/h1-2,13,16H,14H2",C10H6Br2N2O2,,,,,,VSUFHHMQOAFXIU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.636,245-815-4,23674-86-4,Difluprednate,"21-acetoxy-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl butyrate",CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(=O)C,CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COC(=O)C,"InChI=1/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3",C27H34F2O7,,,,,,WYQPLTPSGFELIB-JTQPXKBDSA-N,,,,,,,,,,,
100.041.638,245-818-0,23676-09-7,Ethyl 4-ethoxybenzoate,ethyl 4-ethoxybenzoate,CCOC(=O)c1ccc(OCC)cc1,CCOC(=O)c1ccc(OCC)cc1,"InChI=1/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3",C11H14O3,,,,,,HRAQMGWTPNOILP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.640,245-820-1,23680-31-1,"N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-serine",O-benzyl-N-(tert-butoxycarbonyl)-L-serine,CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O,"InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)",C15H21NO5,,,,,,DMBKPDOAQVGTST-LBPRGKRZSA-N,,,,,,,,,,,
100.041.641,245-821-7,23680-84-4,"2-chloro-6,7-dimethoxyquinazolin-4-amine","2-chloro-6,7-dimethoxyquinazolin-4-amine",COc1cc2nc(Cl)nc(N)c2cc1OC,COc1cc2nc(Cl)nc(N)c2cc1OC,"InChI=1/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14)",C10H10ClN3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17542,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.641,HWIIAAVGRHKSOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.645,245-825-9,23693-38-1,"7-methoxybenzo-1,3-dioxole-5-ethylamine","2-(7-methoxy-1,3-benzodioxol-5-yl)ethanamine",COc1cc(CCN)cc2OCOc12,COc1cc(CCN)cc2OCOc12,"InChI=1/C10H13NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4-5H,2-3,6,11H2,1H3",C10H13NO3,,,,,,ORXQUAPZHKCCAX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.647,245-828-5,23694-15-7,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylthio)-2-methoxybenzamide phosphate,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfanyl)-2-methoxybenzamide phosphate,CCSc1ccc(OC)c(c1)C(=O)NCC2CCCN2CC.OP(=O)(O)O,CCSc1ccc(OC)c(c1)C(=O)NCC2CCCN2CC.OP(=O)(O)O,"InChI=1/C17H26N2O2S.H3O4P/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(22-5-2)8-9-16(15)21-3;1-5(2,3)4/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);(H3,1,2,3,4)",C17H26N2O2S.xH3O4P,,,,,,TVUDHJIMDCAZEW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.650,245-831-1,23694-81-7,Mepindolol,1-(isopropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol,CC(C)NCC(O)COc1cccc2[nH]c(C)cc12,CC(C)NCC(O)COc1cccc2[nH]c(C)cc12,"InChI=1/C15H22N2O2/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14/h4-7,10,12,16-18H,8-9H2,1-3H3",C15H22N2O2,,,,,,NXWGWUVGUSFQJC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.655,245-836-9,23706-07-2,"1-(hydroxymethyl)-4,5-dimethoxyimidazolidin-2-one","1-(hydroxymethyl)-4,5-dimethoxyimidazolidin-2-one",COC1NC(=O)N(CO)C1OC,COC1NC(=O)N(CO)C1OC,"InChI=1/C6H12N2O4/c1-11-4-5(12-2)8(3-9)6(10)7-4/h4-5,9H,3H2,1-2H3,(H,7,10)",C6H12N2O4,,,,,,RLCNRJIGKFHYRP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.664,245-846-3,23727-15-3,"(S)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde","(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde",CC1=CC[C@@H](CC=O)C1(C)C,CC1=CC[C@@H](CC=O)C1(C)C,"InChI=1/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12719,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.664,OGCGGWYLHSJRFY-VIFPVBQESA-N,,,,,,,,,,,
100.041.671,245-854-7,23735-96-8,N6-(1-oxooctyl)-L-lysine,N~6~-octanoyl-L-lysine,CCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,CCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,"InChI=1/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-11-8-7-9-12(15)14(18)19/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)",C14H28N2O3,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6640,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.671,DUZODDYGMSCYMJ-LBPRGKRZSA-N,,,,,,,,,,,
100.041.672,245-855-2,23736-58-5,"4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2a,5a,6ß)]-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)","6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",Cc1onc(c2ccccc2Cl)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O,Cc1onc(c2ccccc2Cl)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O,"InChI=1/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)",C19H18ClN3O5S.1/2C16H20N2,,,,,,LQOLIRLGBULYKD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.304,245-451-6,23144-52-7,8-chlorooctan-1-ol,8-chlorooctan-1-ol,OCCCCCCCCCl,OCCCCCCCCCl,"InChI=1/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2",C8H17ClO,,,,,,YDFAJMDFCCJZSI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.315,245-463-1,23155-02-4,Fosfomycin,(3-methyloxiran-2-yl)phosphonic acid,C[C@@H]1O[C@@H]1P(=O)(O)O,C[C@@H]1O[C@@H]1P(=O)(O)O,"InChI=1/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)",C3H7O4P,,,,,,YMDXZJFXQJVXBF-STHAYSLISA-N,,,,,,,,,,,
100.041.320,245-468-9,23163-84-0,o-ethoxyphenyl isothiocyanate,1-ethoxy-2-isothiocyanatobenzene,CCOc1ccccc1N=C=S,CCOc1ccccc1N=C=S,"InChI=1/C9H9NOS/c1-2-11-9-6-4-3-5-8(9)10-7-12/h3-6H,2H2,1H3",C9H9NOS,,,,,,MAHMRCJOZYLGOW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.321,245-469-4,23165-19-7,"4,4-dimethylmorpholinium chloride","4,4-dimethylmorpholin-4-ium chloride",[Cl-].C[N+]1(C)CCOCC1,[Cl-].C[N+]1(C)CCOCC1,"InChI=1/C6H14NO.ClH/c1-7(2)3-5-8-6-4-7;/h3-6H2,1-2H3;1H/q+1;/p-1",C6H14NO.Cl,,,,,,RBIPMCDRANHGQI-UHFFFAOYSA-M,,,,,,,,,,,
100.042.468,246-731-0,25201-40-5,"4-methylhepta-1,6-dien-4-ol","4-methylhepta-1,6-dien-4-ol",CC(O)(CC=C)CC=C,CC(O)(CC=C)CC=C,"InChI=1/C8H14O/c1-4-6-8(3,9)7-5-2/h4-5,9H,1-2,6-7H2,3H3",C8H14O,,,,,,WAXJJHZQRWWQIR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.471,246-734-7,25209-66-9,N-N-bis(2-hydroxyethyl)formamide,"N,N-bis(2-hydroxyethyl)formamide",OCCN(CCO)C=O,OCCN(CCO)C=O,"InChI=1/C5H11NO3/c7-3-1-6(5-9)2-4-8/h5,7-8H,1-4H2",C5H11NO3,,,,,,AGQSGSYOSSBGLI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.474,246-737-3,25225-10-9,"a,3,3-trimethylcyclohexylmethyl acetate","1-(3,3-dimethylcyclohexyl)ethyl acetate",CC(OC(=O)C)C1CCCC(C)(C)C1,CC(OC(=O)C)C1CCCC(C)(C)C1,"InChI=1/C12H22O2/c1-9(14-10(2)13)11-6-5-7-12(3,4)8-11/h9,11H,5-8H2,1-4H3",C12H22O2,,,,,,YWVSYRJWCROMKO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.476,246-739-4,25229-42-9,Cicrotoic acid,3-cyclohexylbut-2-enoic acid,CC(=CC(O)=O)C1CCCCC1,CC(=CC(O)=O)C1CCCCC1,"InChI=1/C10H16O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)",C10H16O2,,,,,,WVRIPRILKKOIQL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.477,246-741-5,25229-97-4,2-cyano-3-morpholinoacrylamide,2-cyano-3-morpholin-4-ylacrylamide,NC(=O)\\C(=C/N1CCOCC1)\\C#N,NC(=O)\C(=C/N1CCOCC1)\C#N,"InChI=1/C8H11N3O2/c9-5-7(8(10)12)6-11-1-3-13-4-2-11/h6H,1-4H2,(H2,10,12)",C8H11N3O2,,,,,,LLKCXVWITGBXLG-SREVYHEPSA-N,,,,,,,,,,,
100.042.480,246-744-1,25234-57-5,Trimethyl[2-(stearoyloxy)ethyl]ammonium chloride,"N,N,N-trimethyl-2-(stearoyloxy)ethanaminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1/C23H48NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4;/h5-22H2,1-4H3;1H/q+1;/p-1",C23H48NO2.Cl,,,,,,HHADJUZGKVNYLU-UHFFFAOYSA-M,,,,,,,,,,,
100.042.481,246-745-7,25234-60-0,2-lauroyloxyethyltrimethylammonium chloride,"2-(dodecanoyloxy)-N,N,N-trimethylethanaminium chloride",[Cl-].CCCCCCCCCCCC(=O)OCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1",C17H36NO2.Cl,,,,,,BBJUKVPDIPYNBS-UHFFFAOYSA-M,,,,,,,,,,,
100.042.482,246-746-2,25234-79-1,"3,4-dimethylhexane-2,5-dione","3,4-dimethylhexane-2,5-dione",CC(C(C)C(=O)C)C(=O)C,CC(C(C)C(=O)C)C(=O)C,"InChI=1/C8H14O2/c1-5(7(3)9)6(2)8(4)10/h5-6H,1-4H3",C8H14O2,,,,,,GECZPGNLQXZLFU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.483,246-747-8,25235-85-2,4-chloroindole,4-chloro-1H-indole,Clc1cccc2[nH]ccc12,Clc1cccc2[nH]ccc12,"InChI=1/C8H6ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H",C8H6ClN,,,,,,SVLZRCRXNHITBY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.486,246-750-4,25238-99-7,Potassium butyl hydrogen phosphate,potassium butyl hydrogen phosphate,[K+].[O-]P(=O)(O)OCCCC,[K+].[O-]P(=O)(O)OCCCC,"InChI=1/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-1",C4H11O4P.K,,,,,,XAACWXXRFIOVSG-UHFFFAOYSA-M,,,,,,,,,,,
100.042.488,246-753-0,25243-59-8,"1-[2-(acetoxy)ethyl]-2-[3-[3-[2-(acetoxy)ethyl]-5,6-dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propenyl]-5,6-dichloro-3-ethyl-1H-benzimidazolium bromide","1-(2-acetoxyethyl)-2-{3-[1-(2-acetoxyethyl)-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-en-1-yl}-5,6-dichloro-3-ethyl-2,3-dihydro-1H-benzimidazol-1-ium bromide",[Br-].CC(=O)OCC[NH+]4c1cc(Cl)c(Cl)cc1N(CC)C4C=CC=C3N(CC)c2cc(Cl)c(Cl)cc2N3CCOC(C)=O,[Br-].CC(=O)OCC[NH+]4c1cc(Cl)c(Cl)cc1N(CC)C4C=CC=C3N(CC)c2cc(Cl)c(Cl)cc2N3CCOC(C)=O,"InChI=1/C29H32Cl4N4O4.BrH/c1-5-34-24-14-20(30)22(32)16-26(24)36(10-12-40-18(3)38)28(34)8-7-9-29-35(6-2)25-15-21(31)23(33)17-27(25)37(29)11-13-41-19(4)39;/h7-9,14-17,28H,5-6,10-13H2,1-4H3;1H",C29H31Cl4N4O4.Br,,,,,,FVPLFPCYYHLOOS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.490,246-755-1,25244-91-1,1-(10H-phenothiazin-2-yl)butan-1-one,1-(10H-phenothiazin-2-yl)butan-1-one,CCCC(=O)c1ccc2Sc3ccccc3Nc2c1,CCCC(=O)c1ccc2Sc3ccccc3Nc2c1,"InChI=1/C16H15NOS/c1-2-5-14(18)11-8-9-16-13(10-11)17-12-6-3-4-7-15(12)19-16/h3-4,6-10,17H,2,5H2,1H3",C16H15NOS,,,,,,NUWCYIDJOKYQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.493,246-758-8,25251-42-7,4-hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid,4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid,Oc1cc(cc2ccc(Nc3cccc(c3)S(=O)(=O)O)cc12)S(=O)(=O)O,Oc1cc(cc2ccc(Nc3cccc(c3)S(=O)(=O)O)cc12)S(=O)(=O)O,"InChI=1/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)",C16H13NO7S2,,,,,,LSDXXYNYKPLONE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.132,248-561-2,27606-09-3,"2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d]-1,3-dioxin","2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine",CC1OC(C)C2Cc3ccccc3C2O1,CC1OC(C)C2Cc3ccccc3C2O1,"InChI=1/C13H16O2/c1-8-12-7-10-5-3-4-6-11(10)13(12)15-9(2)14-8/h3-6,8-9,12-13H,7H2,1-2H3",C13H16O2,,,,,,SHWFPOIJJLMZKA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.957,250-569-6,31321-62-7,Benzyl L-histidinate dihydrochloride,benzyl D-histidinate dihydrochloride,Cl.Cl.N[C@@H](Cc1c[nH]cn1)C(=O)OCc2ccccc2,Cl.Cl.N[C@@H](Cc1c[nH]cn1)C(=O)OCc2ccccc2,"InChI=1/C13H15N3O2.2ClH/c14-12(6-11-7-15-9-16-11)13(17)18-8-10-4-2-1-3-5-10;;/h1-5,7,9,12H,6,8,14H2,(H,15,16);2*1H",C13H15N3O2.2ClH,,,,,,LVHZJHMSLQLNRA-LTCKWSDVSA-N,,,,,,,,,,,
100.041.649,245-830-6,23694-46-4,1-(o-chlorobenzyl)-1H-pyrrole,1-(2-chlorobenzyl)-1H-pyrrole,Clc1ccccc1Cn2cccc2,Clc1ccccc1Cn2cccc2,"InChI=1/C11H10ClN/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-8H,9H2",C11H10ClN,,,,,,HEQHSFOPJKRGFK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.654,245-835-3,23705-99-9,Diammonium maleate,diammonium but-2-enedioate,[NH4+].[NH4+].[O-]C(=O)\\C=C/C(=O)[O-],[NH4+].[NH4+].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);2*1H3",C4H4O4.2H3N,,,,,,CKKXWJDFFQPBQL-UAIGNFCESA-N,,,,,,,,,,,
100.041.656,245-837-4,23708-56-7,Undecan-6-ol,undecan-6-ol,CCCCCC(O)CCCCC,CCCCCC(O)CCCCC,"InChI=1/C11H24O/c1-3-5-7-9-11(12)10-8-6-4-2/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,YBIXBBGRHOUVBB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.658,245-840-0,23714-13-8,Disodium iminodimethanesulphinate,disodium iminodimethanesulfinate,[Na+].[Na+].[O-]S(=O)CNCS(=O)[O-],[Na+].[Na+].[O-]S(=O)CNCS(=O)[O-],"InChI=1/C2H7NO4S2.2Na/c4-8(5)1-3-2-9(6)7;;/h3H,1-2H2,(H,4,5)(H,6,7);;/q;2*+1/p-2",C2H7NO4S2.2Na,,,,,,DSXIVVZABZMVKP-UHFFFAOYSA-L,,,,,,,,,,,
100.041.662,245-844-2,23726-93-4,"(E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one","1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one",C\\C=C\\C(=O)C1=C(C)C=CCC1(C)C,C\C=C\C(=O)C1=C(C)C=CCC1(C)C,"InChI=1/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",C13H18O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16801,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.662,POIARNZEYGURDG-FNORWQNLSA-N,,,,,,,,,,,
100.041.663,245-845-8,23726-94-5,"(Z)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one","1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one",C\\C=C/C(=O)C1C(=CCCC1(C)C)C,C\C=C/C(=O)C1C(=CCCC1(C)C)C,"InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3",C13H20O,,,,,,CRIGTVCBMUKRSL-ALCCZGGFSA-N,,,,,,,,,,,
100.041.665,245-847-9,23729-34-2,"Disodium 4,4'-bis[[4,6-bis(p-chloroanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4,6-bis[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccc(Cl)cc3)nc(Nc4ccc(Cl)cc4)n2)ccc1\\C=C\\c5ccc(Nc6nc(Nc7ccc(Cl)cc7)nc(Nc8ccc(Cl)cc8)n6)cc5S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccc(Cl)cc3)nc(Nc4ccc(Cl)cc4)n2)ccc1\C=C\c5ccc(Nc6nc(Nc7ccc(Cl)cc7)nc(Nc8ccc(Cl)cc8)n6)cc5S(=O)(=O)[O-],"InChI=1/C44H32Cl4N12O6S2.2Na/c45-27-5-15-31(16-6-27)49-39-55-40(50-32-17-7-28(46)8-18-32)58-43(57-39)53-35-13-3-25(37(23-35)67(61,62)63)1-2-26-4-14-36(24-38(26)68(64,65)66)54-44-59-41(51-33-19-9-29(47)10-20-33)56-42(60-44)52-34-21-11-30(48)12-22-34;;/h1-24H,(H,61,62,63)(H,64,65,66)(H3,49,50,53,55,57,58)(H3,51,52,54,56,59,60);;/q;2*+1/p-2",C44H32Cl4N12O6S2.2Na,,,,,,CSXOJWAXPIZZPA-SEPHDYHBSA-L,,,,,,,,,,,
100.041.667,245-850-5,23733-65-5,(R)-3-(isopropyl)-6-methylcyclohex-2-en-1-one,3-isopropyl-6-methylcyclohex-2-en-1-one,CC(C)C1=CC(=O)[C@H](C)CC1,CC(C)C1=CC(=O)[C@H](C)CC1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,RLYSXAZAJUMULG-MRVPVSSYSA-N,,,,,,,,,,,
100.041.668,245-851-0,23733-66-6,(1R-cis)-3-(isopropyl)-6-methylcyclohex-2-en-1-ol,3-isopropyl-6-methylcyclohex-2-en-1-ol,CC(C)C1=C[C@H](O)[C@H](C)CC1,CC(C)C1=C[C@H](O)[C@H](C)CC1,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8,10-11H,4-5H2,1-3H3",C10H18O,,,,,,WEJSIMPWEOUMJB-SCZZXKLOSA-N,,,,,,,,,,,
100.041.669,245-852-6,23733-68-8,(±)-3-(isopropyl)-6-methylcyclohex-2-en-1-one,3-isopropyl-6-methylcyclohex-2-en-1-one,CC(C)C1=CC(=O)C(C)CC1,CC(C)C1=CC(=O)C(C)CC1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,RLYSXAZAJUMULG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.670,245-853-1,23733-88-2,"Methyl (±)-1,4-dimethylcyclohexene-1-carboxylate","methyl 1,4-dimethylcyclohex-3-ene-1-carboxylate",COC(=O)C1(C)CCC(=CC1)C,COC(=O)C1(C)CCC(=CC1)C,"InChI=1/C10H16O2/c1-8-4-6-10(2,7-5-8)9(11)12-3/h4H,5-7H2,1-3H3",C10H16O2,,,,,,PAXHLOIQWUFMQI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.673,245-856-8,23739-66-4,2-[(4-chloro-2-nitrophenyl)azo]-N-(4-methoxyphenyl)-3-oxobutyramide,2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(4-methoxyphenyl)-3-oxobutanamide,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)cc2)[N+]([O-])=O,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)cc2)[N+]([O-])=O,"InChI=1/C17H15ClN4O5/c1-10(23)16(17(24)19-12-4-6-13(27-2)7-5-12)21-20-14-8-3-11(18)9-15(14)22(25)26/h3-9,16H,1-2H3,(H,19,24)",C17H15ClN4O5,,,,,,OFVGYSFBEXROII-UHFFFAOYSA-N,,,,,,,,,,,
100.041.310,245-457-9,23147-57-1,"2,3,5,6-tetramethyl-1,4-dioxane-2,5-diol","2,3,5,6-tetramethyl-1,4-dioxane-2,5-diol",CC1OC(C)(O)C(C)OC1(C)O,CC1OC(C)(O)C(C)OC1(C)O,"InChI=1/C8H16O4/c1-5-7(3,9)12-6(2)8(4,10)11-5/h5-6,9-10H,1-4H3",C8H16O4,,,,,,DFMGATPNJMFDCR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.663,248-045-7,26846-58-2,"2,2-bis(hydroxymethyl)-1,3-propanediyl bismethacrylate","2,2-bis(hydroxymethyl)propane-1,3-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCC(CO)(CO)COC(=O)C(=C)C,CC(=C)C(=O)OCC(CO)(CO)COC(=O)C(=C)C,"InChI=1/C13H20O6/c1-9(2)11(16)18-7-13(5-14,6-15)8-19-12(17)10(3)4/h14-15H,1,3,5-8H2,2,4H3",C13H20O6,,,,,,GQPVFBDWIUVLHG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.254,247-596-0,26301-79-1,"D-mannono-1,4-lactone","5-(1,2-dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one (non-preferred name)",OCC(O)C1OC(=O)C(O)C1O,OCC(O)C1OC(=O)C(O)C1O,"InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2",C6H10O6,,,,,,SXZYCXMUPBBULW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.257,247-599-7,26303-90-2,4-decenoic acid,dec-4-enoic acid,OC(=O)CCC=CCCCCC,OC(=O)CCC=CCCCCC,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)",C10H18O2,,,,,,XKZKQTCECFWKBN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.263,247-605-8,26311-09-1,N-[5-amino-2-[(p-nitrophenyl)azo]phenyl]acetamide,N-{5-amino-2-[(4-nitrophenyl)diazenyl]phenyl}acetamide,[O-][N+](=O)c2ccc(N=Nc1ccc(N)cc1NC(C)=O)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(N)cc1NC(C)=O)cc2,"InChI=1/C14H13N5O3/c1-9(20)16-14-8-10(15)2-7-13(14)18-17-11-3-5-12(6-4-11)19(21)22/h2-8H,15H2,1H3,(H,16,20)",C14H13N5O3,,,,,,XXYYNENTYVDRBE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.264,247-606-3,26311-44-4,Methyl p-pentylbenzoate,methyl 4-pentylbenzoate,CCCCCc1ccc(cc1)C(=O)OC,CCCCCc1ccc(cc1)C(=O)OC,"InChI=1/C13H18O2/c1-3-4-5-6-11-7-9-12(10-8-11)13(14)15-2/h7-10H,3-6H2,1-2H3",C13H18O2,,,,,,STDGBCHZHMQCAE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.265,247-607-9,26311-45-5,4-pentylbenzoic acid,4-pentylbenzoic acid,CCCCCc1ccc(cc1)C(=O)O,CCCCCc1ccc(cc1)C(=O)O,"InChI=1/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)",C12H16O2,,,,,,CWYNKKGQJYAHQG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.270,247-613-1,26328-04-1,"1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazine monomaleate","1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazine but-2-enedioate",COc1cc(\\C=C\\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.OC(=O)\\C=C/C(=O)O,COc1cc(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.OC(=O)\C=C/C(=O)O,"InChI=1/C22H31N3O5.C4H4O4/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;5-3(6)1-2-4(7)8/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C22H31N3O5.C4H4O4,,,,,,XSTJTOKYCAJVMJ-GVTSEVKNSA-N,,,,,,,,,,,
100.043.271,247-614-7,26330-63-2,"6-ethyl-3-methyloctane-1,6-diol","6-ethyl-3-methyloctane-1,6-diol",CCC(O)(CC)CCC(C)CCO,CCC(O)(CC)CCC(C)CCO,"InChI=1/C11H24O2/c1-4-11(13,5-2)8-6-10(3)7-9-12/h10,12-13H,4-9H2,1-3H3",C11H24O2,,,,,,CVEQHDJQWCRLHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.277,247-621-5,26340-00-1,"trans-1,3-dibenzyl-dihydro-1H-furo[3,4-d]imidazole-2,4,6(3H)-trione","1,3-dibenzyldihydro-1H-furo[3,4-d]imidazole-2,4,6(3H)-trione",O=C1OC(=O)[C@@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,O=C1OC(=O)[C@@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,"InChI=1/C19H16N2O4/c22-17-15-16(18(23)25-17)21(12-14-9-5-2-6-10-14)19(24)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2",C19H16N2O4,,,,,,WIVKAHXCBJSNDF-HOTGVXAUSA-N,,,,,,,,,,,
100.043.278,247-622-0,26340-89-6,Methyl L-argininate dihydrochloride,methyl L-argininate dihydrochloride,Cl.Cl.COC(=O)[C@@H](N)CCCNC(=N)N,Cl.Cl.COC(=O)[C@@H](N)CCCNC(=N)N,"InChI=1/C7H16N4O2.2ClH/c1-13-6(12)5(8)3-2-4-11-7(9)10;;/h5H,2-4,8H2,1H3,(H4,9,10,11);2*1H",C7H16N4O2.2ClH,,,,,,XQYZOBNLCUAXLF-XRIGFGBMSA-N,,,,,,,,,,,
100.043.284,247-628-3,26351-32-6,(Z)-3-(9-octadecenylamino)propiononitrile,3-(octadec-9-en-1-ylamino)propanenitrile,CCCCCCCC\\C=C/CCCCCCCCNCCC#N,CCCCCCCC\C=C/CCCCCCCCNCCC#N,"InChI=1/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-18,20-21H2,1H3",C21H40N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1960,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.284,WFWQUQYVEYXMPO-KTKRTIGZSA-N,,,,,,,,,,,
100.040.016,244-034-6,20780-49-8,"3,7-dimethyl-1-octyl acetate","3,7-dimethyloctyl acetate",CC(C)CCCC(C)CCOC(=O)C,CC(C)CCCC(C)CCOC(=O)C,"InChI=1/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3",C12H24O2,,,,,,XFPXWDJICXBWRU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.018,244-036-7,20781-21-9,"2,4-dimethoxybenzylamine hydrochloride","1-(2,4-dimethoxyphenyl)methanamine hydrochloride",Cl.COc1ccc(CN)c(OC)c1,Cl.COc1ccc(CN)c(OC)c1,"InChI=1/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H",C9H13NO2.ClH,,,,,,KJOWSAVFSCSBMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.027,244-046-1,20799-27-3,"(±)-13-ethyl-17a-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate","13-ethyl-17-ethynyl-3-(hydroxyimino)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate (non-preferred name)",CCC12CCC3C(CCC4=CC(=NO)CCC34)C1CCC2(OC(=O)C)C#C,CCC12CCC3C(CCC4=CC(=NO)CCC34)C1CCC2(OC(=O)C)C#C,"InChI=1/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3",C23H31NO3,,,,,,KIQQMECNKUGGKA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.032,244-051-9,20810-06-4,N-isobutylbutylamine,N-isobutylbutan-1-amine,CCCCNCC(C)C,CCCCNCC(C)C,"InChI=1/C8H19N/c1-4-5-6-9-7-8(2)3/h8-9H,4-7H2,1-3H3",C8H19N,,,,,,CCRUHKGZAQXBKC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.325,245-474-1,23178-67-8,"2-[7-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)hepta-1,3,5-trienyl]-1,1,3-trimethyl-1H-benz[e]indolium perchlorate","1,1,3-trimethyl-2-[7-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl]-1H-benzo[e]indolium perchlorate",[O-]Cl(=O)(=O)=O.C[N+]=6c2ccc1ccccc1c2C(C)(C)C=6C=CC=CC=CC=C5N(C)c4ccc3ccccc3c4C5(C)C,[O-]Cl(=O)(=O)=O.C[N+]=6c2ccc1ccccc1c2C(C)(C)C=6C=CC=CC=CC=C5N(C)c4ccc3ccccc3c4C5(C)C,"InChI=1/C37H37N2.ClHO4/c1-36(2)32(38(5)30-24-22-26-16-12-14-18-28(26)34(30)36)20-10-8-7-9-11-21-33-37(3,4)35-29-19-15-13-17-27(29)23-25-31(35)39(33)6;2-1(3,4)5/h7-25H,1-6H3;(H,2,3,4,5)/q+1;/p-1",C37H37N2.ClO4,,,,,,QVHVXEVQPNDOFD-UHFFFAOYSA-M,,,,,,,,,,,
100.041.326,245-475-7,23179-69-3,Sodium (6R-trans)-3-(acetoxymethyl)-7-[[[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 3-(acetoxymethyl)-7-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)c3c(C)onc3c4ccccc4Cl)C2=O)C(=O)[O-],[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)c3c(C)onc3c4ccccc4Cl)C2=O)C(=O)[O-],"InChI=1/C21H18ClN3O7S.Na/c1-9-14(15(24-32-9)12-5-3-4-6-13(12)22)18(27)23-16-19(28)25-17(21(29)30)11(7-31-10(2)26)8-33-20(16)25;/h3-6,16,20H,7-8H2,1-2H3,(H,23,27)(H,29,30);/q;+1/p-1",C21H18ClN3O7S.Na,,,,,,IYZQROLGTPZBMS-XXRBRTKDSA-M,,,,,,,,,,,
100.041.329,245-478-3,23184-71-6,"Phenol, compound with 2,2',2''-nitrilotris[ethanol] (1:1)","2,2',2''-nitrilotriethanol - phenol (1:1)",OCCN(CCO)CCO.Oc1ccccc1,OCCN(CCO)CCO.Oc1ccccc1,"InChI=1/C6H15NO3.C6H6O/c8-4-1-7(2-5-9)3-6-10;7-6-4-2-1-3-5-6/h8-10H,1-6H2;1-5,7H",C6H15NO3.C6H6O,,,,,,JIHPTYQPPOKVDR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.333,245-483-0,23197-61-7,"3-methylbutyl (2,4,5-trichlorophenoxy)acetate","3-methylbutyl (2,4,5-trichlorophenoxy)acetate",CC(C)CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,CC(C)CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C13H15Cl3O3/c1-8(2)3-4-18-13(17)7-19-12-6-10(15)9(14)5-11(12)16/h5-6,8H,3-4,7H2,1-2H3",C13H15Cl3O3,,,,,,NFRJTLQGBCZKIU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.346,245-497-7,23216-52-6,"5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-3-methylsalicylic acid","5-{(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)[4-(dimethylamino)phenyl]methyl}-2-hydroxy-3-methylbenzoic acid",CN(C)c1ccc(cc1)C(c2cc(C)c(O)c(c2)C(O)=O)=C/3/C=C(/C)C(=O)\\C(=C\\3)C(O)=O,CN(C)c1ccc(cc1)C(c2cc(C)c(O)c(c2)C(O)=O)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O,"InChI=1/C25H23NO6/c1-13-9-16(11-19(22(13)27)24(29)30)21(15-5-7-18(8-6-15)26(3)4)17-10-14(2)23(28)20(12-17)25(31)32/h5-12,27H,1-4H3,(H,29,30)(H,31,32)",C25H23NO6,,,,,,DVJAVMLTYYPMJM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.171,250-804-2,31791-37-4,Tantalum(5+) oxalate,tantalum(5+) oxalate,[Ta+5].[Ta+5].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Ta+5].[Ta+5].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/5C2H2O4.2Ta/c5*3-1(4)2(5)6;;/h5*(H,3,4)(H,5,6);;/q;;;;;2*+5/p-10",C2H2O4.2/5Ta,,,,,,OSYUGTCJVMTNTO-UHFFFAOYSA-D,,,,,,,,,,,
100.046.173,250-806-3,31794-92-0,Strontium pentafluoroaluminate,strontium pentafluoroaluminate(2-),[Sr+2].F[Al-2](F)(F)(F)F,[Sr+2].F[Al-2](F)(F)(F)F,"InChI=1/Al.5FH.Sr/h;5*1H;/q+3;;;;;;+2/p-5/rAlF5.Sr/c2-1(3,4,5)6;/q-2;+2",AlF5.Sr,,,,,,WYPNUACBGMNCPD-UHFFFAOYSA-I,,,,,,,,,,,
100.046.175,250-808-4,31795-37-6,1-hexylallyl acetate,1-vinylheptyl acetate,CCCCCCC(OC(=O)C)C=C,CCCCCCC(OC(=O)C)C=C,"InChI=1/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h5,11H,2,4,6-9H2,1,3H3",C11H20O2,,,,,,PUWRLDPHAKKTKR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.186,250-821-5,31822-29-4,"1,2,3,6-tetrahydro-1-(2-hydroxyethyl)-2,6-dioxopyrimidine-4-carboxylic acid","1-(2-hydroxyethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid",OCCN1C(=O)NC(=CC1=O)C(=O)O,OCCN1C(=O)NC(=CC1=O)C(=O)O,"InChI=1/C7H8N2O5/c10-2-1-9-5(11)3-4(6(12)13)8-7(9)14/h3,10H,1-2H2,(H,8,14)(H,12,13)",C7H8N2O5,,,,,,JUYJMQNDFCMXIL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.188,250-823-6,31827-09-5,"Trisodium 1,1',1''-nitrilotris(ethanesulphonate)","trisodium 1,1',1''-nitrilotriethanesulfonate",[Na+].[Na+].[Na+].CC(N(C(C)S(=O)(=O)[O-])C(C)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].CC(N(C(C)S(=O)(=O)[O-])C(C)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H15NO9S3.3Na/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16;;;/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16);;;/q;3*+1/p-3",C6H15NO9S3.3Na,,,,,,GSQNJUWDOVTHAJ-UHFFFAOYSA-K,,,,,,,,,,,
100.046.190,250-825-7,31828-71-4,Mexiletine,"1-(2,6-dimethylphenoxy)propan-2-amine",CC(N)COc1c(C)cccc1C,CC(N)COc1c(C)cccc1C,"InChI=1/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3",C11H17NO,,,,,,VLPIATFUUWWMKC-UHFFFAOYSA-N,Positive,EQ301001|EQ301002|EQ301003|EQ301004|EQ301005|EQ301006;ET090001|ET090002|ET090003|ET090004|ET090005,[M+H]+;[M+H]+,"HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90|HCD15, 30, 45, 60, 70 or 90",58.0652:180.1382:163.1117|58.0652:180.1382:163.1117|58.0652:105.0699:121.0648|58.0652:105.0699:121.0648|58.0652:105.0699:121.0648|58.0652:105.0699:79.0542;58.0654:180.1381:163.1116|58.0654:180.1381:163.1116|58.0654:105.0698:121.0647|58.0655:105.0698:121.0647|58.0655:105.0698:79.0543,Eawag;Eawag_Additional_Specs,,,,,
100.046.197,250-833-0,31842-01-0,Indoprofen,"2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid",CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,"InChI=1/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)",C17H15NO3,,,,,,RJMIEHBSYVWVIN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.199,250-835-1,31844-92-5,2-chloroacetoacetanilide,4-chloro-3-oxo-N-phenylbutanamide,ClCC(=O)CC(=O)Nc1ccccc1,ClCC(=O)CC(=O)Nc1ccccc1,"InChI=1/C10H10ClNO2/c11-7-9(13)6-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)",C10H10ClNO2,,,,,,CJLSDBRIXZFCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.964,250-576-4,31344-57-7,Ethyldinitrobenzene,"1-ethyl-2,3-dinitrobenzene",CCc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],CCc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-2-6-4-3-5-7(9(11)12)8(6)10(13)14/h3-5H,2H2,1H3",C8H8N2O4,,,,,,WQXMSGBLGDVBJM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.983,250-597-9,31373-65-6,N-[N-(N-benzoylglycyl)-L-histidyl]-L-leucine,N-benzoylglycyl-L-histidyl-L-leucine,CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c2ccccc2)C(=O)O,CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c2ccccc2)C(=O)O,"InChI=1/C21H27N5O5/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31)",C21H27N5O5,,,,,,AAXWBCKQYLBQKY-IRXDYDNUSA-N,,,,,,,,,,,
100.045.985,250-600-3,31375-17-4,1-(p-menth-1-en-6-yl)propan-1-one,1-(5-isopropyl-2-methylcyclohex-2-en-1-yl)propan-1-one,CCC(=O)C1CC(CC=C1C)C(C)C,CCC(=O)C1CC(CC=C1C)C(C)C,"InChI=1/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3",C13H22O,,,,,,DZSVIVLGBJKQAP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.989,250-605-0,31378-03-7,2-[(4-methylphenyl)sulphonyl]-1-phenylethan-1-one,2-[(4-methylphenyl)sulfonyl]-1-phenylethanone,Cc1ccc(cc1)S(=O)(=O)CC(=O)c2ccccc2,Cc1ccc(cc1)S(=O)(=O)CC(=O)c2ccccc2,"InChI=1/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3",C15H14O3S,,,,,,RFQXSRPFYWMUDV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.992,250-608-7,31387-97-0,Butyl D-glucoside,butyl hexopyranoside,CCCCOC1OC(CO)C(O)C(O)C1O,CCCCOC1OC(CO)C(O)C(O)C1O,"InChI=1/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3",C10H20O6,,,,,,BZANQLIRVMZFOS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.996,250-612-9,31398-92-2,"5,6-dihydrofluoranthen-6a(4H)-ol","5,6-dihydrofluoranthen-6a(4H)-ol",OC12CCCc3cccc(c4ccccc14)c23,OC12CCCc3cccc(c4ccccc14)c23,"InChI=1/C16H14O/c17-16-10-4-6-11-5-3-8-13(15(11)16)12-7-1-2-9-14(12)16/h1-3,5,7-9,17H,4,6,10H2",C16H14O,,,,,,OVSQBVKUKPDWKD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.998,250-615-5,31399-84-5,"3-(4-amino-2-chlorophenyl)-5-(1,1-dimethylethyl-1,3,4-oxadiazol-2(3H)-one","3-(4-amino-2-chlorophenyl)-5-tert-butyl-1,3,4-oxadiazol-2(3H)-one",CC(C)(C)C1=NN(C(=O)O1)c2ccc(N)cc2Cl,CC(C)(C)C1=NN(C(=O)O1)c2ccc(N)cc2Cl,"InChI=1/C12H14ClN3O2/c1-12(2,3)10-15-16(11(17)18-10)9-5-4-7(14)6-8(9)13/h4-6H,14H2,1-3H3",C12H14ClN3O2,,,,,,VDVSMECTBFVDFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.875,244-979-4,22418-65-1,2-methylenedecan-1-al,2-methylenedecanal,CCCCCCCCC(=C)C=O,CCCCCCCCC(=C)C=O,"InChI=1/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12/h10H,2-9H2,1H3",C11H20O,,,,,,JXBPQQPESPAUPO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.802,248-197-4,27059-74-1,[10-[2-(dimethylammonio)propyl]-10H-phenothiazinium] maleate,10-[2-(dimethylammonio)propyl]-10H-phenothiazin-10-ium but-2-enedioate,CC(C[NH+]1c2ccccc2Sc3ccccc13)[NH+](C)C.[O-]C(=O)\\C=C/C(=O)[O-],CC(C[NH+]1c2ccccc2Sc3ccccc13)[NH+](C)C.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C17H20N2S.C4H4O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;5-3(6)1-2-4(7)8/h4-11,13H,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C17H20N2S.C4H4O4,,,,,,JSYGKADGBBTFIQ-BTJKTKAUSA-N,,,,,,,,,,,
100.043.806,248-203-5,27064-95-5,1-[bis(4-fluorophenyl)methyl]-4-cinnamylpiperazine dihydrochloride,1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine dihydrochloride,Cl.Cl.Fc1ccc(cc1)C(N2CCN(C\\C=C\\c3ccccc3)CC2)c4ccc(F)cc4,Cl.Cl.Fc1ccc(cc1)C(N2CCN(C\C=C\c3ccccc3)CC2)c4ccc(F)cc4,"InChI=1/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H",C26H26F2N2.2ClH,,,,,,RXKMOPXNWTYEHI-RDRKJGRWSA-N,,,,,,,,,,,
100.043.808,248-205-6,27070-58-2,Octadecene,octadec-1-ene,CCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCC=C,"InChI=1/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3",C18H36,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13253,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.808,CCCMONHAUSKTEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.811,248-208-2,27073-01-4,Diisotridecyl hydrogen phosphate,bis(11-methyldodecyl) hydrogen phosphate,CC(C)CCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC(C)C,"InChI=1/C26H55O4P/c1-25(2)21-17-13-9-5-7-11-15-19-23-29-31(27,28)30-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3,(H,27,28)",C26H55O4P,,,,,,GMPXNGPHBIHLON-UHFFFAOYSA-N,,,,,,,,,,,
100.043.817,248-215-0,27082-31-1,Glycerol dihydrogen phosphate,2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate,OP(=O)(O)OC(CO)CO,OP(=O)(O)OC(CO)CO,"InChI=1/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)",C3H9O6P,,,,,,DHCLVCXQIBBOPH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.819,248-217-1,27086-19-7,Dipropylcarbamoyl chloride,dipropylcarbamic chloride,CCCN(CCC)C(=O)Cl,CCCN(CCC)C(=O)Cl,"InChI=1/C7H14ClNO/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3",C7H14ClNO,,,,,,OWRABTHGOKNUDV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.311,245-458-4,23149-52-2,Disilver thiosulphate,disilver(1+) thiosulfate,[Ag+].[Ag+].[O-]S(=O)(=O)[S-],[Ag+].[Ag+].[O-]S(=O)(=O)[S-],"InChI=1/2Ag.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",Ag.1/2H2O3S2,,,,,,BLZGNFOLSIAOSQ-UHFFFAOYSA-L,,,,,,,,,,,
100.041.334,245-484-6,23199-56-6,"2,2,2-trifluoroethyl trichloromethanesulphonate","2,2,2-trifluoroethyl trichloromethanesulfonate",FC(F)(F)COS(=O)(=O)C(Cl)(Cl)Cl,FC(F)(F)COS(=O)(=O)C(Cl)(Cl)Cl,"InChI=1/C3H2Cl3F3O3S/c4-3(5,6)13(10,11)12-1-2(7,8)9/h1H2",C3H2Cl3F3O3S,,,,,,GOIWZZQXWJVDOG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.335,245-485-1,23202-81-5,"Methyl 5-deoxy-2,3-O-isopropylidene-ß-D-ribofuranoside","methyl 5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranoside",CO[C@@H]1O[C@H](C)[C@H]2OC(C)(C)O[C@@H]12,CO[C@@H]1O[C@H](C)[C@H]2OC(C)(C)O[C@@H]12,"InChI=1/C9H16O4/c1-5-6-7(8(10-4)11-5)13-9(2,3)12-6/h5-8H,1-4H3",C9H16O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5572,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.335,RNHBZJGMAYMLBE-WCTZXXKLSA-N,,,,,,,,,,,
100.041.336,245-486-7,23204-41-3,"5-hydroxy-1H-benz[de]isoquinoline-1,3(2H)-dione","5-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",Oc1cc2C(=O)NC(=O)c3cccc(c1)c23,Oc1cc2C(=O)NC(=O)c3cccc(c1)c23,"InChI=1/C12H7NO3/c14-7-4-6-2-1-3-8-10(6)9(5-7)12(16)13-11(8)15/h1-5,14H,(H,13,15,16)",C12H7NO3,,,,,,BJDNLARFUVNOND-UHFFFAOYSA-N,,,,,,,,,,,
100.041.337,245-487-2,23205-04-1,Iosulamide,"3,3'-{sulfonylbis[(1-oxopropane-3,1-diyl)imino]}bis{5-[acetyl(ethyl)amino]-2,4,6-triiodobenzoic acid}",CCN(C(=O)C)c1c(I)c(NC(=O)CCS(=O)(=O)CCC(=O)Nc2c(I)c(N(CC)C(=O)C)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I,CCN(C(=O)C)c1c(I)c(NC(=O)CCS(=O)(=O)CCC(=O)Nc2c(I)c(N(CC)C(=O)C)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I,"InChI=1/C28H28I6N4O10S/c1-5-37(11(3)39)25-19(31)15(27(43)44)17(29)23(21(25)33)35-13(41)7-9-49(47,48)10-8-14(42)36-24-18(30)16(28(45)46)20(32)26(22(24)34)38(6-2)12(4)40/h5-10H2,1-4H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46)",C28H28I6N4O10S,,,,,,OZKKEKFKXIOSIV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.338,245-488-8,23205-42-7,4-hydroxy-1-ß-D-ribofuranosyl-2(1H)-pyridone,4-hydroxy-1-beta-D-ribofuranosylpyridin-2(1H)-one,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=CC2=O)O,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=CC2=O)O,"InChI=1/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-3,6,8-10,12-13,15-16H,4H2",C10H13NO6,,,,,,CBOKZNLSFMZJJA-PEBGCTIMSA-N,,,,,,,,,,,
100.041.345,245-496-1,23215-04-5,"Sodium p-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate","sodium 4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-],[Na+].CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C10H10N2O4S.Na/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1",C10H10N2O4S.Na,,,,,,QQAJQWDRISHRNO-UHFFFAOYSA-M,,,,,,,,,,,
100.046.170,250-803-7,31788-79-1,2-phenyl-2-pyrrolidin-1-ylacetamide,2-phenyl-2-pyrrolidin-1-ylacetamide,NC(=O)C(N1CCCC1)c2ccccc2,NC(=O)C(N1CCCC1)c2ccccc2,"InChI=1/C12H16N2O/c13-12(15)11(14-8-4-5-9-14)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,13,15)",C12H16N2O,,,,,,KOOCKGZDBDXXAK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.172,250-805-8,31793-07-4,Pirprofen,"2-[3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]propanoic acid",CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1,CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1,"InChI=1/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)",C13H14ClNO2,,,,,,PIDSZXPFGCURGN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.182,250-816-8,31807-55-3,Isododecane,2-methylundecane,CCCCCCCCCC(C)C,CCCCCCCCCC(C)C,"InChI=1/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3",C12H26,,,,,,GTJOHISYCKPIMT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.183,250-817-3,31810-89-6,"1,5-diaminobromo-4,8-dihydroxyanthraquinone","1,5-diamino-2-bromo-4,8-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12,"InChI=1/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2",C14H9BrN2O4,,,,,,HZUBBVGKQQJUME-UHFFFAOYSA-N,,,,,,,,,,,
100.046.184,250-818-9,31814-59-2,"5,8-diethyl-7-hydroxydodecan-6-one","5,8-diethyl-7-hydroxydodecan-6-one",CCCCC(CC)C(O)C(=O)C(CC)CCCC,CCCCC(CC)C(O)C(=O)C(CC)CCCC,"InChI=1/C16H32O2/c1-5-9-11-13(7-3)15(17)16(18)14(8-4)12-10-6-2/h13-15,17H,5-12H2,1-4H3",C16H32O2,,,,,,RCEAKQYSPGVKEX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.191,250-826-2,31831-37-5,Xylene-a-ol,(4-methylphenyl)methanol,Cc1ccc(CO)cc1,Cc1ccc(CO)cc1,"InChI=1/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3",C8H10O,,,,,,KMTDMTZBNYGUNX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.192,250-827-8,31835-02-6,"Sucrose (Z,Z)-9,12-octadecadienoate","3-O-octadeca-9,12-dienoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C30H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)40-28-25(36)22(19-32)41-30(28,20-33)42-29-27(38)26(37)24(35)21(18-31)39-29/h6-7,9-10,21-22,24-29,31-33,35-38H,2-5,8,11-20H2,1H3",C30H52O12,,,,,,HESWZSXUQZPJLH-MVIOKFNFSA-N,,,,,,,,,,,
100.046.204,250-840-9,31848-11-0,Morpholinomethyl dimethyldithiocarbamate,morpholin-4-ylmethyl dimethyldithiocarbamate,CN(C)C(=S)SCN1CCOCC1,CN(C)C(=S)SCN1CCOCC1,"InChI=1/C8H16N2OS2/c1-9(2)8(12)13-7-10-3-5-11-6-4-10/h3-7H2,1-2H3",C8H16N2OS2,,,,,,MPKTWNYCNKUVKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.037,244-057-1,20815-29-6,4-ethyl-3-methylpyridine,4-ethyl-3-methylpyridine,CCc1ccncc1C,CCc1ccncc1C,"InChI=1/C8H11N/c1-3-8-4-5-9-6-7(8)2/h4-6H,3H2,1-2H3",C8H11N,,,,,,NJQZTGGQYUUYKS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.044,244-065-5,20826-04-4,5-bromonicotinic acid,5-bromonicotinic acid,OC(=O)c1cncc(Br)c1,OC(=O)c1cncc(Br)c1,"InChI=1/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)",C6H4BrNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8844,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.044,FQIUCPGDKPXSLL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.050,244-071-8,20834-06-4,Hexadecyl laurate,hexadecyl laurate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,"InChI=1/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30-28(29)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2H3",C28H56O2,,,,,,VWOKINHIVGKNRX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.051,244-072-3,20834-59-7,"a,a,4-trimethylphenethyl alcohol",2-methyl-1-(4-methylphenyl)propan-2-ol,Cc1ccc(CC(C)(C)O)cc1,Cc1ccc(CC(C)(C)O)cc1,"InChI=1/C11H16O/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7,12H,8H2,1-3H3",C11H16O,,,,,,LABNAHQUILHURR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.673,243-657-0,20265-97-8,p-anisidinium chloride,4-methoxyanilinium chloride,[Cl-].COc1ccc([NH3+])cc1,[Cl-].COc1ccc([NH3+])cc1,"InChI=1/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H",C7H9NO.ClH,,,,,,VQYJLACQFYZHCO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.682,243-667-5,20273-27-2,"[1,1'-bicyclohexyl]-4-ylbenzene","4-phenyl-1,1'-bi(cyclohexyl)",C1CCC(CC1)C2CCC(CC2)c3ccccc3,C1CCC(CC1)C2CCC(CC2)c3ccccc3,"InChI=1/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3-4,7-8,16-18H,2,5-6,9-14H2",C18H26,,,,,,MRGBGAHKAGKZID-UHFFFAOYSA-N,,,,,,,,,,,
100.039.686,243-671-7,20279-16-7,Dibenzofuran-3-ol,"dibenzo[b,d]furan-3-ol",Oc1ccc2c(oc3ccccc23)c1,Oc1ccc2c(oc3ccccc23)c1,"InChI=1/C12H8O2/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,13H",C12H8O2,,,,,,GOQIZPVZGYUGIA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.689,243-674-3,20279-47-4,Phenethyl pyruvate,2-phenylethyl 2-oxopropanoate,CC(=O)C(=O)OCCc1ccccc1,CC(=O)C(=O)OCCc1ccccc1,"InChI=1/C11H12O3/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",C11H12O3,,,,,,WSPONQFEXIMYFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.692,243-678-5,20280-10-8,"N,N,N',N'-tetrabutylmethylenediamine","N,N,N',N'-tetrabutylmethanediamine",CCCCN(CCCC)CN(CCCC)CCCC,CCCCN(CCCC)CN(CCCC)CCCC,"InChI=1/C17H38N2/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4/h5-17H2,1-4H3",C17H38N2,,,,,,XHQHCZJKIMGMBY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.698,243-684-8,20285-07-8,"(2,5-dioxoimidazolidin-4-yl)urea, compound with 2-aminoethanol (1:1)","1-(2,5-dioxoimidazolidin-4-yl)urea - 2-aminoethanol (1:1)",NCCO.NC(=O)NC1NC(=O)NC1=O,NCCO.NC(=O)NC1NC(=O)NC1=O,"InChI=1/C4H6N4O3.C2H7NO/c5-3(10)6-1-2(9)8-4(11)7-1;3-1-2-4/h1H,(H3,5,6,10)(H2,7,8,9,11);4H,1-3H2",C4H6N4O3.C2H7NO,,,,,,HZGTYGNBFWHMHB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.705,243-692-1,20290-84-0,Hexyl oleate,hexyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCC,"InChI=1/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h13-14H,3-12,15-23H2,1-2H3",C24H46O2,,,,,,FIENEGBWDWHXGG-YPKPFQOOSA-N,,,,,,,,,,,
100.039.706,243-693-7,20291-40-1,"Methyl hydrogen heptane-1,7-dioate",7-methoxy-7-oxoheptanoic acid,COC(=O)CCCCCC(=O)O,COC(=O)CCCCCC(=O)O,"InChI=1/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10)",C8H14O4,,,,,,YOLQOHRXBGFZED-UHFFFAOYSA-N,,,,,,,,,,,
100.039.709,243-696-3,20292-01-7,Hexyl mercaptoacetate,hexyl sulfanylacetate,CCCCCCOC(=O)CS,CCCCCCOC(=O)CS,"InChI=1/C8H16O2S/c1-2-3-4-5-6-10-8(9)7-11/h11H,2-7H2,1H3",C8H16O2S,,,,,,HTTYRACTMYJREK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.715,243-704-5,20294-31-9,5-methylindan-4-ol,5-methylindan-4-ol,Cc1ccc2CCCc2c1O,Cc1ccc2CCCc2c1O,"InChI=1/C10H12O/c1-7-5-6-8-3-2-4-9(8)10(7)11/h5-6,11H,2-4H2,1H3",C10H12O,,,,,,UGAKSUDKRHFNQW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.668,248-050-4,26850-12-4,2-[N-(2-acetoxyethyl)-4-chloro-2-nitro-5-[2-(propionamido)anilino]anilino]ethyl acetate,"({4-[(2-chloro-4-nitrophenyl)diazenyl]-3-(propionylamino)phenyl}imino)diethane-2,1-diyl diacetate",CCC(=O)Nc1cc(ccc1N=Nc2ccc(cc2Cl)N(=O)=O)N(CCOC(=O)C)CCOC(=O)C,CCC(=O)Nc1cc(ccc1N=Nc2ccc(cc2Cl)N(=O)=O)N(CCOC(=O)C)CCOC(=O)C,"InChI=1/C23H26ClN5O7/c1-4-23(32)25-22-14-17(28(9-11-35-15(2)30)10-12-36-16(3)31)5-8-21(22)27-26-20-7-6-18(29(33)34)13-19(20)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,32)",C23H26ClN5O7,,,,,,ZDORFLXCSSFUIE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.671,248-054-6,26850-69-1,Zinc diisovalerate,zinc bis(3-methylbutanoate),[Zn+2].CC(C)CC(=O)[O-].CC(C)CC(=O)[O-],[Zn+2].CC(C)CC(=O)[O-].CC(C)CC(=O)[O-],"InChI=1/2C5H10O2.Zn/c2*1-4(2)3-5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Zn,,,,,,CHETUOSYZGKTOC-UHFFFAOYSA-L,,,,,,,,,,,
100.046.201,250-837-2,31846-06-7,3-tert-butylcyclohexyl acetate,3-tert-butylcyclohexyl acetate,CC(=O)OC1CCCC(C1)C(C)(C)C,CC(=O)OC1CCCC(C1)C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,,,,,,NHUNEDUXIBOQML-UHFFFAOYSA-N,,,,,,,,,,,
100.046.205,250-841-4,31852-09-2,Didodecyl thiodipropionate,"didodecyl 2,2'-sulfanediyldipropanoate",CCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCCCCCCCCCCCC,"InChI=1/C30H58O4S/c1-5-7-9-11-13-15-17-19-21-23-25-33-29(31)27(3)35-28(4)30(32)34-26-24-22-20-18-16-14-12-10-8-6-2/h27-28H,5-26H2,1-4H3",C30H58O4S,,,,,,XJQUFWCXNMUBGK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.210,250-847-7,31857-89-3,Tetradecan-5-one,tetradecan-5-one,CCCCCCCCCC(=O)CCCC,CCCCCCCCCC(=O)CCCC,"InChI=1/C14H28O/c1-3-5-7-8-9-10-11-13-14(15)12-6-4-2/h3-13H2,1-2H3",C14H28O,,,,,,HLZRTHFXZSWIBW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.211,250-848-2,31872-98-7,5-methyl-L-norleucine,5-methyl-L-norleucine,CC(C)CC[C@H](N)C(=O)O,CC(C)CC[C@H](N)C(=O)O,"InChI=1/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)",C7H15NO2,,,,,,FMUMEWVNYMUECA-LURJTMIESA-N,,,,,,,,,,,
100.046.212,250-849-8,31877-20-0,"3-(2-methylaziridin-1-yl)propane-1,2-diol","3-(2-methylaziridin-1-yl)propane-1,2-diol",CC1CN1CC(O)CO,CC1CN1CC(O)CO,"InChI=1/C6H13NO2/c1-5-2-7(5)3-6(9)4-8/h5-6,8-9H,2-4H2,1H3",C6H13NO2,,,,,,BRKPFEVAJBEGAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.213,250-850-3,31879-05-7,Fenoprofen,2-(3-phenoxyphenyl)propanoic acid,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,"InChI=1/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)",C15H14O3,,,,,,RDJGLLICXDHJDY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.216,250-854-5,31883-05-3,Moracizine,ethyl [10-(3-morpholin-4-ylpropanoyl)-10H-phenothiazin-2-yl]carbamate,CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1,CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1,"InChI=1/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)",C22H25N3O4S,,,,,,FUBVWMNBEHXPSU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.677,250-261-1,30614-73-4,"3,4-furan-3,4-diyldimethyl diacetate","furan-3,4-diylbis(methylene) diacetate",CC(=O)OCc1cocc1COC(=O)C,CC(=O)OCc1cocc1COC(=O)C,"InChI=1/C10H12O5/c1-7(11)14-5-9-3-13-4-10(9)6-15-8(2)12/h3-4H,5-6H2,1-2H3",C10H12O5,,,,,,BNXMUMXYSWMXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.679,250-263-2,30616-73-0,2-isopropenylthiophene,2-isopropenylthiophene,CC(=C)c1cccs1,CC(=C)c1cccs1,"InChI=1/C7H8S/c1-6(2)7-4-3-5-8-7/h3-5H,1H2,2H3",C7H8S,,,,,,FTMGWGRYZSQTMF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.686,250-271-6,30650-47-6,Sodium (4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]acetate,sodium (4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate,[Na+].Oc1ccc(cc1)C(NC(C)=CC(=O)OC)C([O-])=O,[Na+].Oc1ccc(cc1)C(NC(C)=CC(=O)OC)C([O-])=O,"InChI=1/C13H15NO5.Na/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1",C13H15NO5.Na,,,,,,GOKJACUSSDJUBD-UHFFFAOYSA-M,,,,,,,,,,,
100.045.694,250-280-5,30673-36-0,Butyl decanoate,butyl decanoate,CCCCCCCCCC(=O)OCCCC,CCCCCCCCCC(=O)OCCCC,"InChI=1/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3",C14H28O2,,,,,,ZRNCNTSXSYXHOW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.701,250-287-3,30680-84-3,Methyl 1-methyl-2-oxocyclopentanecarboxylate,methyl 1-methyl-2-oxocyclopentanecarboxylate,COC(=O)C1(C)CCCC1=O,COC(=O)C1(C)CCCC1=O,"InChI=1/C8H12O3/c1-8(7(10)11-2)5-3-4-6(8)9/h3-5H2,1-2H3",C8H12O3,,,,,,TZHZMYGNHVTEFA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.704,250-291-5,30683-76-2,3-hydroxynonadecanenitrile,3-hydroxynonadecanenitrile,CCCCCCCCCCCCCCCCC(O)CC#N,CCCCCCCCCCCCCCCCC(O)CC#N,"InChI=1/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20/h19,21H,2-17H2,1H3",C19H37NO,,,,,,OAKBFDJZWOPGMA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.712,250-299-9,30693-53-9,Sodium 2-amino-5-nitrobenzenesulphonate,sodium 2-amino-5-nitrobenzenesulfonate,[Na+].Nc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-],[Na+].Nc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C6H6N2O5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1",C6H6N2O5S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12836,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.712,VTMRGLXTSDVXAE-UHFFFAOYSA-M,,,,,,,,,,,
100.041.677,245-861-5,23747-34-4,1-(3-methyl-2-furyl)propan-1-one,1-(3-methyl-2-furyl)propan-1-one,CCC(=O)c1occc1C,CCC(=O)c1occc1C,"InChI=1/C8H10O2/c1-3-7(9)8-6(2)4-5-10-8/h4-5H,3H2,1-2H3",C8H10O2,,,,,,VMZSEQYQURLQCV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.678,245-862-0,23747-43-5,Ethyl 2-(methyldithio)propionate,ethyl 2-(methyldisulfanyl)propanoate,CCOC(=O)C(C)SSC,CCOC(=O)C(C)SSC,"InChI=1/C6H12O2S2/c1-4-8-6(7)5(2)10-9-3/h5H,4H2,1-3H3",C6H12O2S2,,,,,,DZOQRCWJNNRVPT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.679,245-863-6,23747-45-7,S-methyl 3-methylbutanethioate,S-methyl 3-methylbutanethioate,CSC(=O)CC(C)C,CSC(=O)CC(C)C,"InChI=1/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3",C6H12OS,,,,,,MPLWTJZAFOVXKP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.680,245-864-1,23747-48-0,"6,7-dihydro-5-methyl-5H-cyclopentapyrazine","5-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine",CC1CCc2nccnc12,CC1CCc2nccnc12,"InChI=1/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3",C8H10N2,,,,,,YZEFQPIMXZVPKP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.828,248-227-6,27107-89-7,"2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCCCCC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCCCCC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/3C10H20O2S.C8H17.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-5-7-8-6-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC38H74O6S3Sn/c1-8-15-19-20-21-22-26-48(45-30-36(39)42-27-33(12-5)23-16-9-2,46-31-37(40)43-28-34(13-6)24-17-10-3)47-32-38(41)44-29-35(14-7)25-18-11-4/h33-35H,8-32H2,1-7H3",C38H74O6S3Sn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14357,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.828,VHKGIWUCVBAITR-UHFFFAOYSA-K,,,,,,,,,,,
100.043.829,248-228-1,27113-22-0,1-(4-hydroxy-3-methoxyphenyl)decan-5-one,1-(4-hydroxy-3-methoxyphenyl)decan-5-one,CCCCCC(=O)CCCCc1ccc(O)c(OC)c1,CCCCCC(=O)CCCCc1ccc(O)c(OC)c1,"InChI=1/C17H26O3/c1-3-4-5-9-15(18)10-7-6-8-14-11-12-16(19)17(13-14)20-2/h11-13,19H,3-10H2,1-2H3",C17H26O3,,,,,,IKCUWBHTOKPRNS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.832,248-231-8,27115-50-0,N-(p-toluoyl)glycine,N-(4-methylbenzoyl)glycine,Cc1ccc(cc1)C(=O)NCC(=O)O,Cc1ccc(cc1)C(=O)NCC(=O)O,"InChI=1/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)",C10H11NO3,,,,,,NRSCPTLHWVWLLH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.833,248-232-3,27115-74-8,"5-isopropyl-1,3,4-thiadiazol-2-amine","5-isopropyl-1,3,4-thiadiazol-2-amine",CC(C)c1nnc(N)s1,CC(C)c1nnc(N)s1,"InChI=1/C5H9N3S/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3,(H2,6,8)",C5H9N3S,,,,,,IGBPZWZBEPBBTR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.835,248-234-4,27116-62-7,"7-(diethylamino)-1-phenylspiro[[1]benzopyrano[2,3-c]pyrazole-4(1H),1'(3'H)-isobenzofuran]-3'-one","7'-(diethylamino)-1'-phenyl-1'H,3H-spiro[2-benzofuran-1,4'-chromeno[2,3-c]pyrazol]-3-one",CCN(CC)c1ccc2c(Oc3c(cnn3c4ccccc4)C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3c(cnn3c4ccccc4)C25OC(=O)c6ccccc56)c1,"InChI=1/C27H23N3O3/c1-3-29(4-2)19-14-15-22-24(16-19)32-25-23(17-28-30(25)18-10-6-5-7-11-18)27(22)21-13-9-8-12-20(21)26(31)33-27/h5-17H,3-4H2,1-2H3",C28H25N3O3,,,,,,VQAMMCDORCXCDR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.565,244-637-4,21889-89-4,6-methyl-7-oxabicyclo[4.1.0]heptan-2-one,6-methyl-7-oxabicyclo[4.1.0]heptan-2-one,CC12CCCC(=O)C1O2,CC12CCCC(=O)C1O2,"InChI=1/C7H10O2/c1-7-4-2-3-5(8)6(7)9-7/h6H,2-4H2,1H3",C7H10O2,,,,,,QDIYYQQYVPMKJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.577,244-651-0,21905-92-0,"N,N,N',N'-tetraphenylmethylenediamine","N,N,N',N'-tetraphenylmethanediamine",C(N(c1ccccc1)c2ccccc2)N(c3ccccc3)c4ccccc4,C(N(c1ccccc1)c2ccccc2)N(c3ccccc3)c4ccccc4,"InChI=1/C25H22N2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2",C25H22N2,,,,,,YKYJSUGMSFMGHC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.586,244-661-5,21915-53-7,(3-phenyloxiranyl)methanol,(3-phenyloxiran-2-yl)methanol,OCC1OC1c2ccccc2,OCC1OC1c2ccccc2,"InChI=1/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2",C9H10O2,,,,,,PVALSANGMFRTQM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.587,244-662-0,21922-58-7,"1,5-dimethylbicyclo[3.2.1]octan-8-one","1,5-dimethylbicyclo[3.2.1]octan-8-one",CC12CCCC(C)(CC1)C2=O,CC12CCCC(C)(CC1)C2=O,"InChI=1/C10H16O/c1-9-4-3-5-10(2,7-6-9)8(9)11/h3-7H2,1-2H3",C10H16O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6847,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.587,MFKQEGZHSFZHAH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.591,244-666-2,21932-17-2,"DL-glutamic acid, sodium salt",sodium 2-amino-4-carboxybutanoate,[Na+].N[C@@H](CCC(=O)O)C(=O)[O-],[Na+].N[C@@H](CCC(=O)O)C(=O)[O-],"InChI=1/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1",C5H9NO4.xNa,,,,,,LPUQAYUQRXPFSQ-DFWYDOINSA-M,,,,,,,,,,,
100.040.592,244-667-8,21934-68-9,"6'-(diethylamino)-1',3'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-1',3'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3cc(C)cc(C)c3C24OC(=O)c5ccccc45)c1,CCN(CC)c1ccc2c(Oc3cc(C)cc(C)c3C24OC(=O)c5ccccc45)c1,"InChI=1/C26H25NO3/c1-5-27(6-2)18-11-12-21-22(15-18)29-23-14-16(3)13-17(4)24(23)26(21)20-10-8-7-9-19(20)25(28)30-26/h7-15H,5-6H2,1-4H3",C26H25NO3,,,,,,XUFBVJQHCCCPNM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.600,244-676-7,21951-32-6,2-aminobenzothiazole-6-sulphonic acid,"2-amino-1,3-benzothiazole-6-sulfonic acid",Nc1nc2ccc(cc2s1)S(=O)(=O)O,Nc1nc2ccc(cc2s1)S(=O)(=O)O,"InChI=1/C7H6N2O3S2/c8-7-9-5-2-1-4(14(10,11)12)3-6(5)13-7/h1-3H,(H2,8,9)(H,10,11,12)",C7H6N2O3S2,,,,,,CKAGMVXJHAZUBL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.601,244-677-2,21951-33-7,5-hydroxy-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid,5-hydroxy-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid,OC(=O)c1cc(O)n(n1)c2ccc(cc2)S(=O)(=O)O,OC(=O)c1cc(O)n(n1)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C10H8N2O6S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18/h1-5,13H,(H,14,15)(H,16,17,18)",C10H8N2O6S,,,,,,FWCFCFWLTZFWFS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.135,248-564-9,27607-61-0,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononanesulphonyl chloride","3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,"InChI=1/C9H4ClF15O2S/c10-28(26,27)2-1-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1-2H2",C9H4ClF15O2S,,,,,,CBCLHIUXUOXITK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.140,248-570-1,27610-92-0,2-butyloctanoic acid,2-butyloctanoic acid,CCCCCCC(CCCC)C(=O)O,CCCCCCC(CCCC)C(=O)O,"InChI=1/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)",C12H24O2,,,,,,OARDBPIZDHVTCK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.206,250-843-5,31852-10-5,Dioctadecyl thiodipropionate,"dioctadecyl 2,2'-sulfanediyldipropanoate",CCCCCCCCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C42H82O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-41(43)39(3)47-40(4)42(44)46-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3",C42H82O4S,,,,,,JKBYAWVSVVSRIX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.207,250-844-0,31856-45-8,"5-ethyl hydrogen 2-[3-(carboxylatomethyl)-4-oxo-2-thioxothiazolidin-5-ylidene]-3,4-dimethyl-2,3-dihydrothiazol-5-acrylate","{5-[5-(3-ethoxy-3-oxoprop-1-en-1-yl)-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",CCOC(=O)C=CC1=C(C)N(C)C(=C2SC(=S)N(CC(=O)O)C2=O)S1,CCOC(=O)C=CC1=C(C)N(C)C(=C2SC(=S)N(CC(=O)O)C2=O)S1,"InChI=1/C15H16N2O5S3/c1-4-22-11(20)6-5-9-8(2)16(3)14(24-9)12-13(21)17(7-10(18)19)15(23)25-12/h5-6H,4,7H2,1-3H3,(H,18,19)",C15H16N2O5S3,,,,,,JEPKYSYURZYPCD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.208,250-845-6,31857-17-7,7-(diethylamino)-3-(ethylamino)-2-methylphenoxazin-5-ium chloride,7-(diethylamino)-3-(ethylamino)-2-methylphenoxazin-5-ium chloride,[Cl-].CCNc1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CC,[Cl-].CCNc1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CC,"InChI=1/C19H24N3O.ClH/c1-5-20-16-12-19-17(10-13(16)4)21-15-9-8-14(11-18(15)23-19)22(6-2)7-3;/h8-12,20H,5-7H2,1-4H3;1H/q+1;/p-1",C19H24N3O.Cl,,,,,,XRIINGZTMXJEBA-UHFFFAOYSA-M,,,,,,,,,,,
100.046.209,250-846-1,31857-31-5,"N-cyano-N',N''-dimethylguanidine","1-cyano-2,3-dimethylguanidine",CN\\C(=N\\C)\\NC#N,CN\C(=N\C)\NC#N,"InChI=1/C4H8N4/c1-6-4(7-2)8-3-5/h1-2H3,(H2,6,7,8)",C4H8N4,,,,,,KPUBXONXNWPZIN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.214,250-851-9,31881-96-6,Isopentyl (4-chloro-2-methylphenoxy)acetate,3-methylbutyl (4-chloro-2-methylphenoxy)acetate,CC(C)CCOC(=O)COc1ccc(Cl)cc1C,CC(C)CCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C14H19ClO3/c1-10(2)6-7-17-14(16)9-18-13-5-4-12(15)8-11(13)3/h4-5,8,10H,6-7,9H2,1-3H3",C14H19ClO3,,,,,,WAVHTBLKCQNMBC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.672,250-255-9,30587-99-6,"Disodium (2,3-dihydro-2-oxo-1H-imidazole-4,5-diyl)bis(benzenesulphonate)","disodium 2,2'-(2-oxo-2,3-dihydro-1H-imidazole-4,5-diyl)dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1C2=C(NC(=O)N2)c3ccccc3S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1C2=C(NC(=O)N2)c3ccccc3S(=O)(=O)[O-],"InChI=1/C15H12N2O7S2.2Na/c18-15-16-13(9-5-1-3-7-11(9)25(19,20)21)14(17-15)10-6-2-4-8-12(10)26(22,23)24;;/h1-8H,(H2,16,17,18)(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C15H12N2O7S2.2Na,,,,,,LCUWJGNLLCMGON-UHFFFAOYSA-L,,,,,,,,,,,
100.045.675,250-259-0,30606-27-0,"(9Z,12Z)-octadeca-9,12-dienoic acid, diester with glycerol","3-hydroxypropane-1,2-diyl bisoctadeca-9,12-dienoate",CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCCCCC,CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCCCCC,"InChI=1/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3",C39H68O5,,,,,,MQGBAQLIFKSMEM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.680,250-264-8,30618-84-9,"Mercaptoacetic acid, monoester with propane-1,2,3-triol",2-hydroxy-1-(hydroxymethyl)ethyl sulfanylacetate,OCC(CO)OC(=O)CS,OCC(CO)OC(=O)CS,"InChI=1/C5H10O4S/c6-1-4(2-7)9-5(8)3-10/h4,6-7,10H,1-3H2",C5H10O4S,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6374,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.680,OZPCOYXNWPZBFW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.690,250-275-8,30657-38-6,"L-lysine, compound with 5-oxo-L-proline (1:1)",5-oxo-L-proline - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C6H14N2O2.C5H7NO3,,,,,,GSTSUZHIVMCRLR-RVZXSAGBSA-N,,,,,,,,,,,
100.045.691,250-276-3,30672-30-1,"2,3-dimethyl-1-(4-nitrophenyl)-3-pyrazolin-5-one","1,5-dimethyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one",CN1N(C(=O)C=C1C)c2ccc(cc2)[N+](=O)[O-],CN1N(C(=O)C=C1C)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C11H11N3O3/c1-8-7-11(15)13(12(8)2)9-3-5-10(6-4-9)14(16)17/h3-7H,1-2H3",C11H11N3O3,,,,,,AENIZEZXKCBOIO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.709,250-296-2,30689-38-4,"Diethyl trans-cyclopentane-1,2-dicarboxylate","diethyl cyclopentane-1,2-dicarboxylate",CCOC(=O)[C@H]1CCC[C@@H]1C(=O)OCC,CCOC(=O)[C@H]1CCC[C@@H]1C(=O)OCC,"InChI=1/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3",C11H18O4,,,,,,YLRALQSVMCXBSD-IUCAKERBSA-N,,,,,,,,,,,
100.045.717,250-304-4,30707-77-8,"2-(4-aminophenyl)-2,4-dihydro-5-(1-pyrrolidinyl)-3H-pyrazol-3-one","2-(4-aminophenyl)-5-pyrrolidin-1-yl-2,4-dihydro-3H-pyrazol-3-one",Nc1ccc(cc1)N2N=C(CC2=O)N3CCCC3,Nc1ccc(cc1)N2N=C(CC2=O)N3CCCC3,"InChI=1/C13H16N4O/c14-10-3-5-11(6-4-10)17-13(18)9-12(15-17)16-7-1-2-8-16/h3-6H,1-2,7-9,14H2",C13H16N4O,,,,,,JRZNCVVXDWABEX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.718,250-306-5,30707-87-0,Oxotriphenoxyvanadium,oxo[tris(phenolato)]vanadium,O=[V](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,O=[V](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,"InChI=1/3C6H6O.O.V/c3*7-6-4-2-1-3-5-6;;/h3*1-5,7H;;/q;;;;+3/p-3/rC18H15O4V/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H",C18H15O4V,,,,,,XFUAVPBECVXNRA-UHFFFAOYSA-K,,,,,,,,,,,
100.043.674,248-057-2,26854-07-9,"3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, bis(2-hydroxyethyl) ether","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside - 2,2'-oxydiethanol (1:1)",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.OCCOCCO,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.OCCOCCO,"InChI=1/C27H30O16.C4H10O3/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;5-1-3-7-4-2-6/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;5-6H,1-4H2",C31H38O18,,,,,,CDJORBCNKJGRTC-ZAAWVBGYSA-N,,,,,,,,,,,
100.043.680,248-064-0,26856-96-2,Sodium isononyl sulphate,sodium 7-methyloctyl sulfate,CC(C)CCCCCCOS(=O)(=O)O[Na],CC(C)CCCCCCOS(=O)(=O)O[Na],"InChI=1/C9H20O4S.Na/c1-9(2)7-5-3-4-6-8-13-14(10,11)12;/h9H,3-8H2,1-2H3,(H,10,11,12);/q;+1/p-1/rC9H19NaO4S/c1-9(2)7-5-3-4-6-8-13-15(11,12)14-10/h9H,3-8H2,1-2H3",C9H20O4S.Na,,,,,,SJOXWRQIJWVQNT-UHFFFAOYSA-M,,,,,,,,,,,
100.043.686,248-070-3,26864-37-9,"2-ethylhexyl 4-butyl-10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 4-butyl-10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCC(CC)COC(=O)CS[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CS[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/3C10H20O2S.C4H9.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC34H66O6S3Sn/c1-8-15-19-29(12-5)23-38-32(35)26-41-44(22-18-11-4,42-27-33(36)39-24-30(13-6)20-16-9-2)43-28-34(37)40-25-31(14-7)21-17-10-3/h29-31H,8-28H2,1-7H3",C34H66O6S3Sn,,,,,,HHDNFMPQAVDNGA-UHFFFAOYSA-K,,,,,,,,,,,
100.043.693,248-078-7,26869-99-8,"4,8-diamino-9,10-dihydro-1,5-dihydroxy-7-(4-hydroxyphenyl)-9,10-dioxoanthracene-2-sulphonic acid","4,8-diamino-1,5-dihydroxy-7-(4-hydroxyphenyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1cc(c(O)c2C(=O)c3c(N)c(cc(O)c3C(=O)c12)c4ccc(O)cc4)S(=O)(=O)O,Nc1cc(c(O)c2C(=O)c3c(N)c(cc(O)c3C(=O)c12)c4ccc(O)cc4)S(=O)(=O)O,"InChI=1/C20H14N2O8S/c21-10-6-12(31(28,29)30)18(25)16-13(10)19(26)14-11(24)5-9(17(22)15(14)20(16)27)7-1-3-8(23)4-2-7/h1-6,23-25H,21-22H2,(H,28,29,30)",C20H14N2O8S,,,,,,YFKFBKUGGPWWFB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.696,248-081-3,26878-30-8,5-amino-2-anilinopyridine monohydrochloride,"N~2~-phenylpyridine-2,5-diamine hydrochloride",Cl.Nc1ccc(Nc2ccccc2)nc1,Cl.Nc1ccc(Nc2ccccc2)nc1,"InChI=1/C11H11N3.ClH/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10;/h1-8H,12H2,(H,13,14);1H",C11H11N3.ClH,,,,,,MNGBLMSZAYCLBI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.697,248-082-9,26878-31-9,"N2,N2-dimethylpyridine-2,5-diamine dihydrochloride","N~2~,N~2~-dimethylpyridine-2,5-diamine dihydrochloride",Cl.Cl.CN(C)c1ccc(N)cn1,Cl.Cl.CN(C)c1ccc(N)cn1,"InChI=1/C7H11N3.2ClH/c1-10(2)7-4-3-6(8)5-9-7;;/h3-5H,8H2,1-2H3;2*1H",C7H11N3.2ClH,,,,,,HIOPYIJWLYLCAV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.698,248-083-4,26878-35-3,"Pyridine-2,5-diamine dihydrochloride","pyridine-2,5-diamine dihydrochloride",Cl.Cl.Nc1ccc(N)nc1,Cl.Cl.Nc1ccc(N)nc1,"InChI=1/C5H7N3.2ClH/c6-4-1-2-5(7)8-3-4;;/h1-3H,6H2,(H2,7,8);2*1H",C5H7N3.2ClH,,,,,,RWHNUWWUPZKDQP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.700,248-086-0,26886-05-5,"3,5-diisopropylphenol","3,5-diisopropylphenol",CC(C)c1cc(O)cc(c1)C(C)C,CC(C)c1cc(O)cc(c1)C(C)C,"InChI=1/C12H18O/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9,13H,1-4H3",C12H18O,,,,,,YYOQJBLGFMMRLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.705,248-091-8,26894-50-8,Glycerol propionate,2-hydroxy-1-(hydroxymethyl)ethyl propionate,CCC(=O)OC(CO)CO,CCC(=O)OC(CO)CO,"InChI=1/C6H12O4/c1-2-6(9)10-5(3-7)4-8/h5,7-8H,2-4H2,1H3",C6H12O4,,,,,,LWPXNRRTVSAZCU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.305,247-651-9,26394-31-0,"2,4-dichloro-2-butenal","2,4-dichlorobut-2-enal",ClCC=C(Cl)C=O,ClCC=C(Cl)C=O,"InChI=1/C4H4Cl2O/c5-2-1-4(6)3-7/h1,3H,2H2",C4H4Cl2O,,,,,,FSPXZKAEHGXEHN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.306,247-652-4,26395-26-6,3-methoxy-2-methylpyridine,3-methoxy-2-methylpyridine,COc1cccnc1C,COc1cccnc1C,"InChI=1/C7H9NO/c1-6-7(9-2)4-3-5-8-6/h3-5H,1-2H3",C7H9NO,,,,,,QRCUQLANPHYVEH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.307,247-654-5,26395-99-3,7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC1=C(N2C(SC1)C(N)C2=O)C(=O)O,CC1=C(N2C(SC1)C(N)C2=O)C(=O)O,"InChI=1/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)",C8H10N2O3S,,,,,,NVIAYEIXYQCDAN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.308,247-655-0,26399-02-0,2-ethylhexyl oleate,2-ethylhexyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C26H50O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h14-15,25H,4-13,16-24H2,1-3H3",C26H50O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15935,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.308,FOKDITTZHHDEHD-PFONDFGASA-N,,,,,,,,,,,
100.043.309,247-656-6,26399-36-0,Profluralin,"N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline",CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3",C14H16F3N3O4,,,,,,ITVQAKZNYJEWKS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.681,245-865-7,23749-58-8,"7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one",O=C1c2cccc3cccc(c4nc5ccccc5n14)c23,O=C1c2cccc3cccc(c4nc5ccccc5n14)c23,InChI=1/C18H10N2O/c21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18/h1-10H,C18H10N2O,,,,,,NZBSAAMEZYOGBA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.689,245-874-6,23778-52-1,"3,6,9,12,15-pentaoxahexadecanol","2,5,8,11,14-pentaoxahexadecan-16-ol",COCCOCCOCCOCCOCCO,COCCOCCOCCOCCOCCO,"InChI=1/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3",C11H24O6,,,,,,SLNYBUIEAMRFSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.690,245-875-1,23778-59-8,"Sodium o-[bis(3,5-dibromo-4-hydroxy-o-tolyl)hydroxymethyl]benzenesulphonate","sodium 2-[bis(3,5-dibromo-4-hydroxy-2-methylphenyl)(hydroxy)methyl]benzenesulfonate",[Na+].Cc1c(Br)c(O)c(Br)cc1C(O)(c2cc(Br)c(O)c(Br)c2C)c3ccccc3S(=O)(=O)[O-],[Na+].Cc1c(Br)c(O)c(Br)cc1C(O)(c2cc(Br)c(O)c(Br)c2C)c3ccccc3S(=O)(=O)[O-],"InChI=1/C21H16Br4O6S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(28,11-5-3-4-6-16(11)32(29,30)31)13-8-15(23)20(27)18(25)10(13)2;/h3-8,26-28H,1-2H3,(H,29,30,31);/q;+1/p-1",C21H16Br4O6S.Na,,,,,,JZPSZYZAQKDLMK-UHFFFAOYSA-M,,,,,,,,,,,
100.041.692,245-877-2,23779-33-1,[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]urea,1-(2-{[3-(trimethoxysilyl)propyl]amino}ethyl)urea,CO[Si](CCCNCCNC(=O)N)(OC)OC,CO[Si](CCCNCCNC(=O)N)(OC)OC,"InChI=1/C9H23N3O4Si/c1-14-17(15-2,16-3)8-4-5-11-6-7-12-9(10)13/h11H,4-8H2,1-3H3,(H3,10,12,13)",C9H23N3O4Si,,,,,,QJPPPLJETZSLMG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.697,245-883-5,23783-42-8,"3,6,9,12-tetraoxotridecanol","2,5,8,11-tetraoxatridecan-13-ol",COCCOCCOCCOCCO,COCCOCCOCCOCCO,"InChI=1/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3",C9H20O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5185,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.697,ZNYRFEPBTVGZDN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.699,245-885-6,23786-13-2,Methyl p-tolylacetate,methyl (4-methylphenyl)acetate,COC(=O)Cc1ccc(C)cc1,COC(=O)Cc1ccc(C)cc1,"InChI=1/C10H12O2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h3-6H,7H2,1-2H3",C10H12O2,,,,,,LSAGWGNECLEVPE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.703,245-889-8,23787-80-6,1-(3-methylpyrazinyl)ethan-1-one,1-(3-methylpyrazin-2-yl)ethanone,CC(=O)c1nccnc1C,CC(=O)c1nccnc1C,"InChI=1/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3",C7H8N2O,,,,,,QUNOTZOHYZZWKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.704,245-890-3,23787-90-8,"1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one","1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one",CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C,CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C,"InChI=1/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3",C15H24O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18407,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.704,VCOCESNMLNDPLX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.709,245-896-6,23808-42-6,4-(aminomethyl)-1-phenethylpiperidin-4-ol,4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol,NCC1(O)CCN(CCc2ccccc2)CC1,NCC1(O)CCN(CCc2ccccc2)CC1,"InChI=1/C14H22N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-12,15H2",C14H22N2O,,,,,,OZWUDZJANOCZLG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.712,245-899-2,23828-92-4,"trans-4-[[(2-amino-3,5-dibromophenyl)methyl]amino]cyclohexan-1-ol hydrochloride","4-[(2-amino-3,5-dibromobenzyl)amino]cyclohexanol hydrochloride",Cl.Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2,Cl.Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2,"InChI=1/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H",C13H18Br2N2O.ClH,,,,,,QNVKOSLOVOTXKF-PFWPSKEQSA-N,,,,,,,,,,,
100.041.716,245-903-2,23838-75-7,2-(4-isopentylphenoxy)aniline,2-[4-(3-methylbutyl)phenoxy]aniline,CC(C)CCc1ccc(Oc2ccccc2N)cc1,CC(C)CCc1ccc(Oc2ccccc2N)cc1,"InChI=1/C17H21NO/c1-13(2)7-8-14-9-11-15(12-10-14)19-17-6-4-3-5-16(17)18/h3-6,9-13H,7-8,18H2,1-2H3",C17H21NO,,,,,,HHKMQCXXNDCKGE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.717,245-904-8,23843-64-3,[3-(trimethoxysilyl)propyl]urea,1-[3-(trimethoxysilyl)propyl]urea,CO[Si](CCCNC(=O)N)(OC)OC,CO[Si](CCCNC(=O)N)(OC)OC,"InChI=1/C7H18N2O4Si/c1-11-14(12-2,13-3)6-4-5-9-7(8)10/h4-6H2,1-3H3,(H3,8,9,10)",C7H18N2O4Si,,,,,,LVACOMKKELLCHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.722,245-910-0,23847-08-7,"1,1'-dithiobis[hexahydro-2H-azepin-2-one]","1,1'-disulfanediyldiazepan-2-one",O=C1CCCCCN1SSN2CCCCCC2=O,O=C1CCCCCN1SSN2CCCCCC2=O,InChI=1/C12H20N2O2S2/c15-11-7-3-1-5-9-13(11)17-18-14-10-6-2-4-8-12(14)16/h1-10H2,C12H20N2O2S2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11759,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.722,LGBYJXBCVZKJBL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.348,245-499-8,23218-62-4,"2,4,5-trichlorophenyl p-methoxybenzyl carbonate","4-methoxybenzyl 2,4,5-trichlorophenyl carbonate",COc1ccc(COC(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1,COc1ccc(COC(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1,"InChI=1/C15H11Cl3O4/c1-20-10-4-2-9(3-5-10)8-21-15(19)22-14-7-12(17)11(16)6-13(14)18/h2-7H,8H2,1H3",C15H11Cl3O4,,,,,,UDCSECKCIHHFRO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.352,245-503-8,23222-97-1,"2-nitro-p-xylene-a,a'-diol","(2-nitro-1,4-phenylene)dimethanol",OCc1ccc(CO)c(c1)[N+](=O)[O-],OCc1ccc(CO)c(c1)[N+](=O)[O-],"InChI=1/C8H9NO4/c10-4-6-1-2-7(5-11)8(3-6)9(12)13/h1-3,10-11H,4-5H2",C8H9NO4,,,,,,KWVHOBYJXDKIPL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.141,248-571-7,27611-01-4,2-decyltetradecyl laurate,2-decyltetradecyl laurate,CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)CCCCCCCCCCC,"InChI=1/C36H72O2/c1-4-7-10-13-16-19-21-23-26-29-32-35(31-28-25-22-18-15-12-9-6-3)34-38-36(37)33-30-27-24-20-17-14-11-8-5-2/h35H,4-34H2,1-3H3",C36H72O2,,,,,,PRAQHFXSEMSCMI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.145,248-575-9,27619-88-1,"3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulphonyl chloride","3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,"InChI=1/C6H4ClF9O2S/c7-19(17,18)2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2",C6H4ClF9O2S,,,,,,VKUQIBIIJYOHSC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.155,248-586-9,27638-00-2,"Lauric acid, diester with glycerol","3-hydroxypropane-1,2-diyl didodecanoate",CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC,"InChI=1/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3",C27H52O5,,,,,,OQQOAWVKVDAJOI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.163,248-595-8,27668-52-6,Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride,"N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]octadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC,"InChI=1/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1",C26H58NO3Si.Cl,,,,,,WSFMFXQNYPNYGG-UHFFFAOYSA-M,,,,,,,,,,,
100.044.165,248-597-9,27676-62-6,"1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione",CC(C)(C)c1cc(CN2C(=O)N(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)C(=O)N(Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C2=O)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CN2C(=O)N(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)C(=O)N(Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C2=O)cc(c1O)C(C)(C)C,"InChI=1/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3",C48H69N3O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14358,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.165,VNQNXQYZMPJLQX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.173,248-607-1,27689-12-9,"(1-methylethylidene)bis(4,1-phenyleneoxy-3,1-propanediyl) bismethacrylate","propane-2,2-diylbis(4,1-phenyleneoxypropane-3,1-diyl) bis(2-methylacrylate)",CC(=C)C(=O)OCCCOc1ccc(cc1)C(C)(C)c2ccc(OCCCOC(=O)C(=C)C)cc2,CC(=C)C(=O)OCCCOc1ccc(cc1)C(C)(C)c2ccc(OCCCOC(=O)C(=C)C)cc2,"InChI=1/C29H36O6/c1-21(2)27(30)34-19-7-17-32-25-13-9-23(10-14-25)29(5,6)24-11-15-26(16-12-24)33-18-8-20-35-28(31)22(3)4/h9-16H,1,3,7-8,17-20H2,2,4-6H3",C29H36O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16429,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.173,OPZLDVPRAIERSE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.877,244-982-0,22418-69-5,"2,3,7-trimethyloct-6-en-1-ol","2,3,7-trimethyloct-6-en-1-ol",CC(CO)C(C)CCC=C(C)C,CC(CO)C(C)CCC=C(C)C,"InChI=1/C11H22O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,10-12H,5,7-8H2,1-4H3",C11H22O,,,,,,FDEBVYXMAXZAIP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.883,244-988-3,22424-58-4,5-(benzyloxy)-2-nitrotoluene,4-(benzyloxy)-2-methyl-1-nitrobenzene,Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-],Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-],"InChI=1/C14H13NO3/c1-11-9-13(7-8-14(11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3",C14H13NO3,,,,,,PBAXHOUGHZKSRP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.885,244-990-4,22428-48-4,[(cyclohexen-1-ylidenemethoxy)methyl]benzene,[(cyclohex-2-en-1-ylidenemethoxy)methyl]benzene,C(OC=C1/C=C\\CCC1)c2ccccc2,C(OC=C1/C=C\CCC1)c2ccccc2,"InChI=1/C14H16O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1,3-5,7-9,12H,2,6,10-11H2",C14H16O,,,,,,KZFHRFDUCGTTLC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.895,245-001-9,22445-42-7,"3,5-dimethylbenzonitrile","3,5-dimethylbenzonitrile",Cc1cc(C)cc(c1)C#N,Cc1cc(C)cc(c1)C#N,"InChI=1/C9H9N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,1-2H3",C9H9N,,,,,,YFKRLZLGVDDKAL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.903,245-010-8,22457-23-4,5-methylheptan-3-one oxime,5-methylheptan-3-one oxime,CCC(C)CC(CC)=NO,CCC(C)CC(CC)=NO,"InChI=1/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3",C8H17NO,,,,,,CBVWMGCJNPPAAR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.905,245-012-9,22457-55-2,Glyceric acid 3-(barium phosphate),"{2-hydroxy-3-[(phosphono-kappa~2~O,O')oxy]propanoato(2-)}barium",OC(COP1(=O)O[Ba]O1)C(=O)O,OC(COP1(=O)O[Ba]O1)C(=O)O,"InChI=1/C3H7O7P.Ba/c4-2(3(5)6)1-10-11(7,8)9;/h2,4H,1H2,(H,5,6)(H2,7,8,9);/q;+2/p-2/rC3H5BaO7P/c5-2(3(6)7)1-9-12(8)10-4-11-12/h2,5H,1H2,(H,6,7)",C3H7O7P.Ba,,,,,,IAFYHPGYCIOBCG-UHFFFAOYSA-L,,,,,,,,,,,
100.040.908,245-016-0,22462-79-9,"1,5-dimethylhex-4-enylamine",6-methylhept-5-en-2-amine,CC(N)CCC=C(C)C,CC(N)CCC=C(C)C,"InChI=1/C8H17N/c1-7(2)5-4-6-8(3)9/h5,8H,4,6,9H2,1-3H3",C8H17N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12240,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.908,LINQVIAARQIDQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.914,245-022-3,22473-78-5,Tetraammonium ethylenediaminetetraacetate,"tetraammonium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[NH4+].[NH4+].[NH4+].[NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[NH4+].[NH4+].[NH4+].[NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.4H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4*1H3",C10H16N2O8.4H3N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12731,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.914,LESFYQKBUCDEQP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.683,245-867-8,23757-24-6,"4,6-bis(isopropyl)-3,3-dimethylindan-5-ol","4,6-diisopropyl-3,3-dimethylindan-5-ol",CC(C)c1cc2CCC(C)(C)c2c(C(C)C)c1O,CC(C)c1cc2CCC(C)(C)c2c(C(C)C)c1O,"InChI=1/C17H26O/c1-10(2)13-9-12-7-8-17(5,6)15(12)14(11(3)4)16(13)18/h9-11,18H,7-8H2,1-6H3",C17H26O,,,,,,UYWDZENSLVNYKE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.685,245-869-9,23764-31-0,"N-propylpropane-1,3-diamine","N-propylpropane-1,3-diamine",CCCNCCCN,CCCNCCCN,"InChI=1/C6H16N2/c1-2-5-8-6-3-4-7/h8H,2-7H2,1H3",C6H16N2,,,,,,OWKYZAGJTTTXOK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.688,245-873-0,23772-87-4,Dicyclopropylacetaldehyde,dicyclopropylacetaldehyde,O=CC(C1CC1)C2CC2,O=CC(C1CC1)C2CC2,"InChI=1/C8H12O/c9-5-8(6-1-2-6)7-3-4-7/h5-8H,1-4H2",C8H12O,,,,,,VJDWLGLJZNWMFB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.691,245-876-7,23779-32-0,[3-(triethoxysilyl)propyl]urea,1-[3-(triethoxysilyl)propyl]urea,CCO[Si](CCCNC(=O)N)(OCC)OCC,CCO[Si](CCCNC(=O)N)(OCC)OCC,"InChI=1/C10H24N2O4Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13/h4-9H2,1-3H3,(H3,11,12,13)",C10H24N2O4Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11257,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.691,LVNLBBGBASVLLI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.693,245-878-8,23779-95-5,4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid,4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid,OC(=O)c1cnc2c(cccc2c1O)C(F)(F)F,OC(=O)c1cnc2c(cccc2c1O)C(F)(F)F,"InChI=1/C11H6F3NO3/c12-11(13,14)7-3-1-2-5-8(7)15-4-6(9(5)16)10(17)18/h1-4H,(H,15,16)(H,17,18)",C11H6F3NO3,,,,,,GQZVPBYGGIQINZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.705,245-891-9,23804-59-3,4-hydroxy-1-phenethylpiperidine-4-carbonitrile,4-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile,OC1(CCN(CCc2ccccc2)CC1)C#N,OC1(CCN(CCc2ccccc2)CC1)C#N,"InChI=1/C14H18N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-11H2",C14H18N2O,,,,,,XIUVZQCJSZGEJF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.706,245-892-4,23804-64-0,4-(aminomethyl)-1-phenethylpiperidin-4-ol dihydrochloride,4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol dihydrochloride,Cl.Cl.NCC1(O)CCN(CCc2ccccc2)CC1,Cl.Cl.NCC1(O)CCN(CCc2ccccc2)CC1,"InChI=1/C14H22N2O.2ClH/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13;;/h1-5,17H,6-12,15H2;2*1H",C14H22N2O.2ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16458,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.706,YBACPPIWOHWVPG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.707,245-894-5,23806-24-8,3-methyl-2-thenoic acid,3-methylthiophene-2-carboxylic acid,Cc1ccsc1C(=O)O,Cc1ccsc1C(=O)O,"InChI=1/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)",C6H6O2S,,,,,,IFLKEBSJTZGCJG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.710,245-897-1,23819-11-6,"Diethylammonium (2,4,5-trichlorophenoxy)acetate","N-ethylethanaminium (2,4,5-trichlorophenoxy)acetate",CC[NH2+]CC.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,CC[NH2+]CC.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3.C4H11N/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;1-3-5-4-2/h1-2H,3H2,(H,12,13);5H,3-4H2,1-2H3",C8H5Cl3O3.C4H11N,,,,,,CFIABBBIDUBPQY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.715,245-902-7,23838-74-6,"5,12-diethyl-5,12-dihydroquinoxalino[2,3-b]phenazine","5,12-diethyl-5,12-dihydroquinoxalino[2,3-b]phenazine",CCN1C2=CC3=Nc4ccccc4N(CC)C3=CC2=Nc5ccccc15,CCN1C2=CC3=Nc4ccccc4N(CC)C3=CC2=Nc5ccccc15,"InChI=1/C22H20N4/c1-3-25-19-11-7-5-9-15(19)23-17-14-22-18(13-21(17)25)24-16-10-6-8-12-20(16)26(22)4-2/h5-14H,3-4H2,1-2H3",C22H20N4,,,,,,DMZLKMCVHCHAHT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.718,245-905-3,23843-86-9,Methyl hydrogen 4-[(3-aminophenyl)hydroxymethyl]phthalate,5-[(3-aminophenyl)(hydroxy)methyl]-2-(methoxycarbonyl)benzoic acid,COC(=O)c1ccc(cc1C(=O)O)C(O)c2cccc(N)c2,COC(=O)c1ccc(cc1C(=O)O)C(O)c2cccc(N)c2,"InChI=1/C16H15NO5/c1-22-16(21)12-6-5-10(8-13(12)15(19)20)14(18)9-3-2-4-11(17)7-9/h2-8,14,18H,17H2,1H3,(H,19,20)",C16H15NO5,,,,,,SZMFFXCNDCWPND-UHFFFAOYSA-N,,,,,,,,,,,
100.041.720,245-907-4,23844-57-7,"Methyl (±)-2-(2,4-dichlorophenoxy)propionate","methyl 2-(2,4-dichlorophenoxy)propanoate",COC(=O)C(C)Oc1ccc(Cl)cc1Cl,COC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C10H10Cl2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3",C10H10Cl2O3,,,,,,SCHCPDWDIOTCMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.351,245-502-2,23222-13-1,6-hydroxy-5-[(2-nitrophenyl)azo]naphthalene-2-sulphonic acid,6-hydroxy-5-[(2-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid,[O-][N+](=O)c3ccccc3N=Nc1c2ccc(cc2ccc1O)S(O)(=O)=O,[O-][N+](=O)c3ccccc3N=Nc1c2ccc(cc2ccc1O)S(O)(=O)=O,"InChI=1/C16H11N3O6S/c20-15-8-5-10-9-11(26(23,24)25)6-7-12(10)16(15)18-17-13-3-1-2-4-14(13)19(21)22/h1-9,20H,(H,23,24,25)",C16H11N3O6S,,,,,,GQRPVYIEDDNGDC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.357,245-509-0,23235-61-2,"2,2'-[oxybis(methylene)]bis[2-ethylpropane-1,3-diol]","2,2'-[oxybis(methylene)]bis(2-ethylpropane-1,3-diol)",CCC(CO)(CO)COCC(CC)(CO)CO,CCC(CO)(CO)COCC(CC)(CO)CO,"InChI=1/C12H26O5/c1-3-11(5-13,6-14)9-17-10-12(4-2,7-15)8-16/h13-16H,3-10H2,1-2H3",C12H26O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1913,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.357,WMYINDVYGQKYMI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.365,245-517-4,23244-84-0,5-amino-4-(aminocarbonyl)-1H-pyrazole-3-acetic acid,(3-amino-4-carbamoyl-1H-pyrazol-5-yl)acetic acid,NC(=O)c1c(N)n[nH]c1CC(=O)O,NC(=O)c1c(N)n[nH]c1CC(=O)O,"InChI=1/C6H8N4O3/c7-5-4(6(8)13)2(9-10-5)1-3(11)12/h1H2,(H2,8,13)(H,11,12)(H3,7,9,10)",C6H8N4O3,,,,,,YMCCESRRJOSHKR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.320,247-668-1,26402-26-6,"Octanoic acid, monoester with glycerol","2,3-dihydroxypropyl octanoate",CCCCCCCC(=O)OCC(O)CO,CCCCCCCC(=O)OCC(O)CO,"InChI=1/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3",C11H22O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17696,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.320,GHBFNMLVSPCDGN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.327,247-676-5,26408-28-6,N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]acetamide,N-{3-[(2-cyanoethyl)amino]-4-methoxyphenyl}acetamide,COc1ccc(NC(=O)C)cc1NCCC#N,COc1ccc(NC(=O)C)cc1NCCC#N,"InChI=1/C12H15N3O2/c1-9(16)15-10-4-5-12(17-2)11(8-10)14-7-3-6-13/h4-5,8,14H,3,7H2,1-2H3,(H,15,16)",C12H15N3O2,,,,,,OVTCINJDJPHUBX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.329,247-678-6,26410-42-4,Butylmercaptooxostannane,butyl(oxo)sulfanylstannane,CCCC[Sn](=O)S,CCCC[Sn](=O)S,"InChI=1/C4H9.O.H2S.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;;1H2;/q;;;+1/p-1/rC4H10OSSn/c1-2-3-4-7(5)6/h6H,2-4H2,1H3",C4H10OSSn,,,,,,PXOXRZMEQDUGIL-UHFFFAOYSA-M,,,,,,,,,,,
100.043.331,247-680-7,26411-30-3,"2,2'-thiobis[4,6-di-tert-butyl-m-cresol]","2,2'-sulfanediylbis(4,6-di-tert-butyl-3-methylphenol)",Cc1c(Sc2c(C)c(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(cc1C(C)(C)C)C(C)(C)C,Cc1c(Sc2c(C)c(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(cc1C(C)(C)C)C(C)(C)C,"InChI=1/C30H46O2S/c1-17-19(27(3,4)5)15-21(29(9,10)11)23(31)25(17)33-26-18(2)20(28(6,7)8)16-22(24(26)32)30(12,13)14/h15-16,31-32H,1-14H3",C30H46O2S,,,,,,CIYZCKSPWRANFK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.335,247-684-9,26413-18-3,"1,3-dithiane 1,1,3,3-tetraoxide","1,3-dithiane 1,1,3,3-tetraoxide",O=S1(=O)CCCS(=O)(=O)C1,O=S1(=O)CCCS(=O)(=O)C1,"InChI=1/C4H8O4S2/c5-9(6)2-1-3-10(7,8)4-9/h1-4H2",C4H8O4S2,,,,,,YIMCEGNLWJUWNH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.336,247-685-4,26416-07-9,Chromium(3+) methacrylate,chromium(3+) tris(2-methylacrylate),[Cr+3].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Cr+3].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/3C4H6O2.Cr/c3*1-3(2)4(5)6;/h3*1H2,2H3,(H,5,6);/q;;;+3/p-3",C4H6O2.1/3Cr,,,,,,FYDNFZPPZJDFRY-UHFFFAOYSA-K,,,,,,,,,,,
100.043.338,247-688-0,26424-32-8,"3-hydroxy-2,2-dimethylpropyl acrylate","3-hydroxy-2,2-dimethylpropyl acrylate",CC(C)(CO)COC(=O)C=C,CC(C)(CO)COC(=O)C=C,"InChI=1/C8H14O3/c1-4-7(10)11-6-8(2,3)5-9/h4,9H,1,5-6H2,2-3H3",C8H14O3,,,,,,MRIKSZXJKCQQFT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.339,247-689-6,26438-26-6,1-nonylnaphthalene,1-nonylnaphthalene,CCCCCCCCCc1cccc2ccccc12,CCCCCCCCCc1cccc2ccccc12,"InChI=1/C19H26/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18/h9-11,13-16H,2-8,12H2,1H3",C19H26,,,,,,AZLNHMGSTZDDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.055,244-077-0,20845-01-6,Hydroxylammonium phosphate (3:1),tris(hydroxyammonium) phosphate,[NH3+]O.[NH3+]O.[NH3+]O.[O-]P(=O)([O-])[O-],[NH3+]O.[NH3+]O.[NH3+]O.[O-]P(=O)([O-])[O-],"InChI=1/3H4NO.H3O4P/c3*1-2;1-5(2,3)4/h3*2H,1H3;(H3,1,2,3,4)/q3*+1;/p-3",H3NO.1/3H3O4P,,,,,,ZOYOYNHYKLRFRQ-UHFFFAOYSA-K,,,,,,,,,,,
100.040.059,244-081-2,20850-43-5,"5-chloro-1,3-benzodioxole","5-chloro-1,3-benzodioxole",Clc1ccc2OCOc2c1,Clc1ccc2OCOc2c1,"InChI=1/C7H5ClO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2",C8H7ClO2,,,,,,ODQPZHOXLYATLC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.060,244-082-8,20850-49-1,"2-(3,4-dimethoxyphenyl)-3-methylbutyronitrile","2-(3,4-dimethoxyphenyl)-3-methylbutanenitrile",COc1ccc(cc1OC)C(C#N)C(C)C,COc1ccc(cc1OC)C(C#N)C(C)C,"InChI=1/C13H17NO2/c1-9(2)11(8-14)10-5-6-12(15-3)13(7-10)16-4/h5-7,9,11H,1-4H3",C13H17NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8257,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.060,NFXAXMOAVPLEBH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.067,244-090-1,20867-15-6,"3ß,17-dihydroxypregn-5-en-20-one 3-formate",17-hydroxy-20-oxopregn-5-en-3-yl formate,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC=O,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC=O,"InChI=1/C22H32O4/c1-14(24)22(25)11-8-19-17-5-4-15-12-16(26-13-23)6-9-20(15,2)18(17)7-10-21(19,22)3/h4,13,16-19,25H,5-12H2,1-3H3",C22H32O4,,,,,,LIQRRNOQIKMVTQ-YRCTWBNTSA-N,,,,,,,,,,,
100.040.073,244-096-4,20882-04-6,[2-[(2-methyl-1-oxoallyl)oxy]ethyl] hydrogen succinate,4-[2-(methacryloyloxy)ethoxy]-4-oxobutanoic acid,CC(=C)C(=O)OCCOC(=O)CCC(=O)O,CC(=C)C(=O)OCCOC(=O)CCC(=O)O,"InChI=1/C10H14O6/c1-7(2)10(14)16-6-5-15-9(13)4-3-8(11)12/h1,3-6H2,2H3,(H,11,12)",C10H14O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18563,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.073,ZEWLHMQYEZXSBH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.077,244-102-5,20892-46-0,"N,N-dimethyl-1H-indole-1-propylamine","3-(1H-indol-1-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCn1ccc2ccccc12,CN(C)CCCn1ccc2ccccc12,"InChI=1/C13H18N2/c1-14(2)9-5-10-15-11-8-12-6-3-4-7-13(12)15/h3-4,6-8,11H,5,9-10H2,1-2H3",C13H18N2,,,,,,VZQZKEYQPBNATK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.078,244-103-0,20893-01-0,[[[(4-methylphenyl)sulphonyl]oxy]imino]malononitrile,({[(4-methylphenyl)sulfonyl]oxy}imino)malononitrile,Cc1ccc(cc1)S(=O)(=O)ON=C(C#N)C#N,Cc1ccc(cc1)S(=O)(=O)ON=C(C#N)C#N,"InChI=1/C10H7N3O3S/c1-8-2-4-10(5-3-8)17(14,15)16-13-9(6-11)7-12/h2-5H,1H3",C10H7N3O3S,,,,,,XNCHCTURBIVYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.079,244-104-6,20893-30-5,2-thienylacetonitrile,2-thienylacetonitrile,N#CCc1cccs1,N#CCc1cccs1,"InChI=1/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2",C6H5NS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12193,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.079,CLSHQIDDCJTHAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.081,244-106-7,20901-53-5,"Methyl 2,3-dihydro-2-oxo-1H-imidazole-4-carboxylate","methyl 2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate",COC(=O)C1=CNC(=O)N1,COC(=O)C1=CNC(=O)N1,"InChI=1/C5H6N2O3/c1-10-4(8)3-2-6-5(9)7-3/h2H,1H3,(H2,6,7,9)",C5H6N2O3,,,,,,LMOLZFSPLCXIHV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.355,245-506-4,23234-43-7,Ethyl D-tyrosinate hydrochloride,ethyl D-tyrosinate hydrochloride,Cl.CCOC(=O)[C@H](N)Cc1ccc(O)cc1,Cl.CCOC(=O)[C@H](N)Cc1ccc(O)cc1,"InChI=1/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H",C11H15NO3.ClH,,,,,,BQULAXAVRFIAHN-HNCPQSOCSA-N,,,,,,,,,,,
100.041.356,245-508-5,23234-97-1,Pentachlorophenyl N-[[(4-methoxyphenyl)methoxy]carbonyl]-L-serinate,pentachlorophenyl N-{[(4-methoxybenzyl)oxy]carbonyl}-L-serinate,COc1ccc(COC(=O)N[C@@H](CO)C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1,COc1ccc(COC(=O)N[C@@H](CO)C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1,"InChI=1/C18H14Cl5NO6/c1-28-9-4-2-8(3-5-9)7-29-18(27)24-10(6-25)17(26)30-16-14(22)12(20)11(19)13(21)15(16)23/h2-5,10,25H,6-7H2,1H3,(H,24,27)",C18H14Cl5NO6,,,,,,UCEIZKVAZFNYMB-JTQLQIEISA-N,,,,,,,,,,,
100.041.361,245-513-2,23239-41-0,Sodium (6R-trans)-3-(acetoxymethyl)-7-(cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 3-(acetoxymethyl)-7-[(cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)CC#N)C2=O)C(=O)[O-],[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)CC#N)C2=O)C(=O)[O-],"InChI=1/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1",C13H13N3O6S.Na,,,,,,GXCRUTWHNMMJEK-CSDGMEMJSA-M,,,,,,,,,,,
100.041.366,245-519-5,23244-88-4,1H-indazol-6-ol,2H-indazol-6-ol,Oc1ccc2c[nH]nc2c1,Oc1ccc2c[nH]nc2c1,"InChI=1/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)",C7H6N2O,,,,,,NUYZVDBIVNOTSC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.369,245-522-1,23250-44-4,Potassium abietate,"potassium abieta-7,13-dien-18-oate",[K+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1,[K+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1,"InChI=1/C20H30O2.K/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1",C20H30O2.K,,,,,,NVJCKICOBXMJIJ-XTICBAGASA-M,,,,,,,,,,,
100.041.374,245-527-9,23255-93-8,N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulphonate,1-{[2-(diethylamino)ethyl]amino}-4-methoxy-9H-xanthen-9-one methanesulfonate,CCN(CC)CCNc1ccc(OC)c2Oc3ccccc3C(=O)c12.CS(=O)(=O)O,CCN(CC)CCNc1ccc(OC)c2Oc3ccccc3C(=O)c12.CS(=O)(=O)O,"InChI=1/C20H24N2O3.CH4O3S/c1-4-22(5-2)13-12-21-15-10-11-17(24-3)20-18(15)19(23)14-8-6-7-9-16(14)25-20;1-5(2,3)4/h6-11,21H,4-5,12-13H2,1-3H3;1H3,(H,2,3,4)",C20H24N2O2S.CH4O3S,,,,,,VOQROIZQEJAAAV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.013,247-330-3,25906-66-5,"2,5-dimercaptoterephthalic acid","2,5-disulfanylterephthalic acid",OC(=O)c1cc(S)c(cc1S)C(=O)O,OC(=O)c1cc(S)c(cc1S)C(=O)O,"InChI=1/C8H6O4S2/c9-7(10)3-1-5(13)4(8(11)12)2-6(3)14/h1-2,13-14H,(H,9,10)(H,11,12)",C8H6O4S2,,,,,,YYGZWQNDFRCZIF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.017,247-335-0,25910-57-0,"4-[(4-nitrophenyl)azo]benzene-1,3-diamine","4-[(4-nitrophenyl)diazenyl]benzene-1,3-diamine",[O-][N+](=O)c2ccc(N=Nc1ccc(N)cc1N)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(N)cc1N)cc2,"InChI=1/C12H11N5O2/c13-8-1-6-12(11(14)7-8)16-15-9-2-4-10(5-3-9)17(18)19/h1-7H,13-14H2",C12H11N5O2,,,,,,RBTJRVXVFMHGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.218,250-856-6,31886-41-6,"Citric acid, ammonium bismuth salt",-,[NH4+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Bi.H3N.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3;;;/q;+3;;;;/p-2/rC6H8O7.BiH3.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3/q;+3;/p-2",C6H8O7.xBi.xH3N,,,,,,ADBUZPCDOKGNTG-UHFFFAOYSA-L,,,,,,,,,,,
100.046.220,250-858-7,31894-64-1,3-benzoyl-2-hydroxyhydratropic acid,2-(3-benzoyl-2-hydroxyphenyl)propanoic acid,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1O,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1O,"InChI=1/C16H14O4/c1-10(16(19)20)12-8-5-9-13(15(12)18)14(17)11-6-3-2-4-7-11/h2-10,18H,1H3,(H,19,20)",C16H14O4,,,,,,PNYKSCBMMRTDJD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.221,250-859-2,31895-22-4,"Bis(1,2,3-trithiacyclohexyldimethylammonium) oxalate","bis(N,N-dimethyl-1,2,3-trithian-4-aminium) oxalate",C[NH+](C)C1CCSSS1.C[NH+](C)C2CCSSS2.[O-]C(=O)C(=O)[O-],C[NH+](C)C1CCSSS1.C[NH+](C)C2CCSSS2.[O-]C(=O)C(=O)[O-],"InChI=1/2C5H11NS3.C2H2O4/c2*1-6(2)5-3-4-7-9-8-5;3-1(4)2(5)6/h2*5H,3-4H2,1-2H3;(H,3,4)(H,5,6)",C5H11NS3.C2H2O4,,,,,,CPXWETSKLYMLAY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.228,250-867-6,31938-07-5,(3-bromophenyl)acetonitrile,(3-bromophenyl)acetonitrile,Brc1cccc(CC#N)c1,Brc1cccc(CC#N)c1,"InChI=1/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2",C8H6BrN,,,,,,UUZYFBXKWIQKTF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.232,250-871-8,31949-65-2,"1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-({4-methoxy-3-[(2-oxoazepan-1-yl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1CN5CCCCCC5=O,COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1CN5CCCCCC5=O,"InChI=1/C28H27N3O7S/c1-38-21-11-10-17(13-16(21)15-31-12-6-2-3-9-23(31)32)30-20-14-22(39(35,36)37)26(29)25-24(20)27(33)18-7-4-5-8-19(18)28(25)34/h4-5,7-8,10-11,13-14,30H,2-3,6,9,12,15,29H2,1H3,(H,35,36,37)",C28H27N3O7S,,,,,,CUNBYQPKMZMTFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.915,245-023-9,22479-95-4,Dimethyl 4-hydroxyphthalate,dimethyl 4-hydroxyphthalate,COC(=O)c1ccc(O)cc1C(=O)OC,COC(=O)c1ccc(O)cc1C(=O)OC,"InChI=1/C10H10O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5,11H,1-2H3",C10H10O5,,,,,,JJXVDRYFBGDXOU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.917,245-026-5,22483-09-6,"2,2-dimethoxyethylamine","2,2-dimethoxyethanamine",COC(CN)OC,COC(CN)OC,"InChI=1/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3",C4H11NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16709,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.917,QKWWDTYDYOFRJL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.922,245-031-2,22485-08-1,"1,3,4,14b-tetrahydro-2,7-dimethyl-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine","2,7-dimethyl-1,3,4,14b-tetrahydro-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine",CN1CCN2C(C1)c3ccccc3Oc4ccc(C)cc24,CN1CCN2C(C1)c3ccccc3Oc4ccc(C)cc24,"InChI=1/C18H20N2O/c1-13-7-8-18-15(11-13)20-10-9-19(2)12-16(20)14-5-3-4-6-17(14)21-18/h3-8,11,16H,9-10,12H2,1-2H3",C18H20N2O,,,,,,AQCUOHAOVDYWGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.853,248-254-3,27137-85-5,Trichloro(dichlorophenyl)silane,"trichloro(2,3-dichlorophenyl)silane",Clc1cccc(c1Cl)[Si](Cl)(Cl)Cl,Clc1cccc(c1Cl)[Si](Cl)(Cl)Cl,"InChI=1/C6H3Cl5Si/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H",C6H3Cl5Si,,,,,,BIBZKNXZTAKPDB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.857,248-259-0,27140-08-5,Phenylhydrazine hydrochloride,phenylhydrazine hydrochloride,Cl.NNc1ccccc1,Cl.NNc1ccccc1,"InChI=1/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H",C6H8N2.xClH,,,,,,JOVOSQBPPZZESK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.859,248-261-1,27147-10-0,Cyclohexyldimethylammonium acetate,"N,N-dimethylcyclohexanaminium acetate",C[NH+](C)C1CCCCC1.CC(=O)[O-],C[NH+](C)C1CCCCC1.CC(=O)[O-],"InChI=1/C8H17N.C2H4O2/c1-9(2)8-6-4-3-5-7-8;1-2(3)4/h8H,3-7H2,1-2H3;1H3,(H,3,4)",C8H17N.C2H4O2,,,,,,LDQFAGZKMFMHFS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.860,248-262-7,27147-71-3,2-methylpalmitic acid,2-methylhexadecanoic acid,CCCCCCCCCCCCCCC(C)C(=O)O,CCCCCCCCCCCCCCC(C)C(=O)O,"InChI=1/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",C17H34O2,,,,,,AXPAUZGVNGEWJD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.864,248-266-9,27152-57-4,Tricalcium diarsenite,tricalcium diarsenite,[Ca+2].[Ca+2].[Ca+2].[O-][As]([O-])[O-].[O-][As]([O-])[O-],[Ca+2].[Ca+2].[Ca+2].[O-][As]([O-])[O-].[O-][As]([O-])[O-],InChI=1/2AsO3.3Ca/c2*2-1(3)4;;;/q2*-3;3*+2,AsH3O3.3/2Ca,,,,,,MHUYNKTVRSCHBE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.865,248-267-4,27152-80-3,Sodium [4-[(4-nitrophenyl)azo]anilino]methanesulphonate,sodium ({4-[(4-nitrophenyl)diazenyl]phenyl}amino)methanesulfonate,[Na+].[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)NCS([O-])(=O)=O)cc2,[Na+].[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)NCS([O-])(=O)=O)cc2,"InChI=1/C13H12N4O5S.Na/c18-17(19)13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14-9-23(20,21)22;/h1-8,14H,9H2,(H,20,21,22);/q;+1/p-1",C13H12N4O5S.Na,,,,,,YYPBPJHNSVTSLD-UHFFFAOYSA-M,,,,,,,,,,,
100.043.867,248-270-0,27153-54-4,4-(1-ethoxy-1-methylethyl)-1-methylcyclohexene,4-(1-ethoxy-1-methylethyl)-1-methylcyclohexene,CCOC(C)(C)C1CCC(=CC1)C,CCOC(C)(C)C1CCC(=CC1)C,"InChI=1/C12H22O/c1-5-13-12(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3",C12H22O,,,,,,LWKGCNDRHJSSMK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.868,248-271-6,27157-66-0,Decylphenol,2-decylphenol,CCCCCCCCCCc1ccccc1O,CCCCCCCCCCc1ccccc1O,"InChI=1/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3",C16H26O,,,,,,FDIPWBUDOCPIMH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.869,248-272-1,27157-73-9,Toluenedisulphonic acid,"3-methylbenzene-1,2-disulfonic acid",Cc1cccc(c1S(=O)(=O)O)S(=O)(=O)O,Cc1cccc(c1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C7H8O6S2/c1-5-3-2-4-6(14(8,9)10)7(5)15(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)",C7H8O6S2,,,,,,LOIHNWJKFVJSJT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.874,248-277-9,27164-45-0,Sodium (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 3-(acetoxymethyl)-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cn3cnnn3)C2=O)C(=O)[O-],[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cn3cnnn3)C2=O)C(=O)[O-],"InChI=1/C13H14N6O6S.Na/c1-6(20)25-3-7-4-26-12-9(11(22)19(12)10(7)13(23)24)15-8(21)2-18-5-14-16-17-18;/h5,9,12H,2-4H2,1H3,(H,15,21)(H,23,24);/q;+1/p-1",C13H14N6O6S.Na,,,,,,AEUAWKRFSWQUSM-CSDGMEMJSA-M,,,,,,,,,,,
100.045.376,249-930-0,29886-98-4,Cyclohexyl[2-(2-methylmorpholino)ethyl]carbodiimide monotoluene-p-sulphonate,N-cyclohexyl-N'-[2-(2-methylmorpholin-4-yl)ethyl]carbodiimide 4-methylbenzenesulfonate,CC1CN(CCN=C=NC2CCCCC2)CCO1.Cc3ccc(cc3)S(=O)(=O)O,CC1CN(CCN=C=NC2CCCCC2)CCO1.Cc3ccc(cc3)S(=O)(=O)O,"InChI=1/C14H25N3O.C7H8O3S/c1-13-11-17(9-10-18-13)8-7-15-12-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h13-14H,2-11H2,1H3;2-5H,1H3,(H,8,9,10)",C14H25N3O.C7H8O3S,,,,,,AVFDIFVXGWEJME-UHFFFAOYSA-N,,,,,,,,,,,
100.045.383,249-937-9,29898-25-7,1-phenylhexan-3-one,1-phenylhexan-3-one,CCCC(=O)CCc1ccccc1,CCCC(=O)CCc1ccccc1,"InChI=1/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",C12H16O,,,,,,CWWWHACKSNBBMU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.386,249-941-0,29900-93-4,"[1R-(2-endo,3-exo)]-3-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","3-amino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)C2CCC1(C)C(O)C2N,CC1(C)C2CCC1(C)C(O)C2N,"InChI=1/C10H19NO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,12H,4-5,11H2,1-3H3",C10H19NO,,,,,,MDENRACGWNSYCU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.370,245-523-7,23250-73-9,Manganese dioleate,manganese(2+) dioctadec-9-enoate,[Mn+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Mn+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Mn,,,,,,XYXLRVFDLJOZJC-CVBJKYQLSA-L,,,,,,,,,,,
100.043.008,247-325-6,25904-59-0,"Trisodium 3-[[4-[[4-chloro-6-[phenyl(sulphonatomethyl)amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate","trisodium 3-{[4-({4-chloro-6-[phenyl(sulfonatomethyl)amino]-1,3,5-triazin-2-yl}amino)-5-methoxy-2-methylphenyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)nc(n4)N(CS([O-])(=O)=O)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)nc(n4)N(CS([O-])(=O)=O)c5ccccc5,"InChI=1/C28H24ClN7O10S3.3Na/c1-16-11-22(30-27-31-26(29)32-28(33-27)36(15-47(37,38)39)18-7-4-3-5-8-18)23(46-2)14-21(16)35-34-17-12-20-19(25(13-17)49(43,44)45)9-6-10-24(20)48(40,41)42;;;/h3-14H,15H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33);;;/q;3*+1/p-3",C28H24ClN7O10S3.3Na,,,,,,HHEHNPKXBAGJBB-UHFFFAOYSA-K,,,,,,,,,,,
100.046.223,250-861-3,31904-18-4,"a,a,a,ar,ar-pentachlorotoluene","1,2-dichloro-4-(trichloromethyl)benzene",Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,"InChI=1/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H",C7H3Cl5,,,,,,ATYLRBXENHNROH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.225,250-863-4,31906-04-4,4-(4-hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde,4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,CC(C)(O)CCCC1=CCC(CC1)C=O,CC(C)(O)CCCC1=CCC(CC1)C=O,"InChI=1/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3",C13H22O2,,,,,,ORMHZBNNECIKOH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.229,250-868-1,31938-11-1,O-(triphenylmethyl)hydroxylamine,O-tritylhydroxylamine,NOC(c1ccccc1)(c2ccccc2)c3ccccc3,NOC(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C19H17NO/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2",C19H17NO,,,,,,NZFHJBSDSXDUAO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.237,250-877-0,31977-94-3,"N-[1,1-bis(hydroxymethyl)propyl]stearamide","N-[1,1-bis(hydroxymethyl)propyl]octadecanamide",CCCCCCCCCCCCCCCCCC(=O)NC(CC)(CO)CO,CCCCCCCCCCCCCCCCCC(=O)NC(CC)(CO)CO,"InChI=1/C23H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)24-23(4-2,20-25)21-26/h25-26H,3-21H2,1-2H3,(H,24,27)",C23H47NO3,,,,,,CJKRJNJNOZRVKU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.240,250-880-7,31980-29-7,Nicofibrate,pyridin-3-ylmethyl 2-(4-chlorophenoxy)-2-methylpropanoate,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccnc2,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccnc2,"InChI=1/C16H16ClNO3/c1-16(2,21-14-7-5-13(17)6-8-14)15(19)20-11-12-4-3-9-18-10-12/h3-10H,11H2,1-2H3",C16H16ClNO3,,,,,,RARQHAFNGNPQCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.243,250-883-3,31983-27-4,"(Z)-3,7-dimethylocta-2,6-dienenitrile","3,7-dimethylocta-2,6-dienenitrile",CC(=CCC\\C(=C/C#N)\\C)C,CC(=CCC\C(=C/C#N)\C)C,"InChI=1/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3",C10H15N,,,,,,HLCSDJLATUNSSI-YFHOEESVSA-N,,,,,,,,,,,
100.040.126,244-155-4,21028-48-8,"Phosphoric acid, magnesium strontium salt",-,[Mg+2].[Sr+2].[O-]P(=O)([O-])[O-],[Mg+2].[Sr+2].[O-]P(=O)([O-])[O-],"InChI=1/Mg.H3O4P.Sr/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+2;;+2/p-3",H3O4P.xMg.xSr,,,,,,BTEPQKGGXUMBRS-UHFFFAOYSA-K,,,,,,,,,,,
100.040.130,244-160-1,21035-59-6,Methyl(2-pyridylmethyl)amine,N-methyl-1-pyridin-2-ylmethanamine,CNCc1ccccn1,CNCc1ccccn1,"InChI=1/C7H10N2/c1-8-6-7-4-2-3-5-9-7/h2-5,8H,6H2,1H3",C7H10N2,,,,,,OOTKJPZEEVPWCR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.131,244-161-7,21035-85-8,"1,3-dibenzyldecahydro-2-oxothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium bromide","1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium bromide",[Br-].O=C1N(Cc2ccccc2)C3C[S+]4CCCC4C3N1Cc5ccccc5,[Br-].O=C1N(Cc2ccccc2)C3C[S+]4CCCC4C3N1Cc5ccccc5,"InChI=1/C22H25N2OS.BrH/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;/h1-6,8-11,19-21H,7,12-16H2;1H/q+1;/p-1",C22H25N2OS.Br,,,,,,RLXRHLGEJDJGKC-UHFFFAOYSA-M,,,,,,,,,,,
100.040.132,244-162-2,21037-25-2,"1-deoxy-1-[2-(phenylazo)-3,4-xylidino]-D-ribitol","1-deoxy-1-{[3,4-dimethyl-2-(phenyldiazenyl)phenyl]amino}pentitol",Cc1ccc(NCC(O)C(O)C(O)CO)c(N=Nc2ccccc2)c1C,Cc1ccc(NCC(O)C(O)C(O)CO)c(N=Nc2ccccc2)c1C,"InChI=1/C19H25N3O4/c1-12-8-9-15(20-10-16(24)19(26)17(25)11-23)18(13(12)2)22-21-14-6-4-3-5-7-14/h3-9,16-17,19-20,23-26H,10-11H2,1-2H3",C19H25N3O4,,,,,,BVMBLTCSAVCYFW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.136,244-166-4,21041-93-0,Cobalt dihydroxide,cobalt(2+) dihydroxide,[OH-].[OH-].[Co+2],[OH-].[OH-].[Co+2],InChI=1/Co.2H2O/h;2*1H2/q+2;;/p-2,CoH2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16113,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.136,ASKVAEGIVYSGNY-UHFFFAOYSA-L,,,,,,,,,,,
100.040.137,244-168-5,21041-95-2,Cadmium hydroxide,cadmium dihydroxide,[OH-].[OH-].[Cd+2],[OH-].[OH-].[Cd+2],InChI=1/Cd.2H2O/h;2*1H2/q+2;;/p-2,CdH2O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2107,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.137,PLLZRTNVEXYBNA-UHFFFAOYSA-L,,,,,,,,,,,
100.045.720,250-308-6,30723-78-5,3-(tert-butyldioxy)-3-(4-chlorophenyl)phthalide,3-(tert-butylperoxy)-3-(4-chlorophenyl)-2-benzofuran-1(3H)-one,CC(C)(C)OOC1(OC(=O)c2ccccc12)c3ccc(Cl)cc3,CC(C)(C)OOC1(OC(=O)c2ccccc12)c3ccc(Cl)cc3,"InChI=1/C18H17ClO4/c1-17(2,3)22-23-18(12-8-10-13(19)11-9-12)15-7-5-4-6-14(15)16(20)21-18/h4-11H,1-3H3",C18H17ClO4,,,,,,HUIRLOSIYSITTB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.082,244-107-2,20902-45-8,"3,3'-dithiodi-D-valine","3,3'-disulfanediylbis(2-amino-3-methylbutanoic acid) (non-preferred name)",CC(C)(SSC(C)(C)C(N)C(=O)O)C(N)C(=O)O,CC(C)(SSC(C)(C)C(N)C(=O)O)C(N)C(=O)O,"InChI=1/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)",C10H20N2O4S2,,,,,,POYPKGFSZHXASD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.084,244-109-3,20905-35-5,"2,2'-[propane-1,3-diylbis(oxy)]bis-1,3,2-dioxaborinane","2,2'-[propane-1,3-diylbis(oxy)]bis(1,3,2-dioxaborinane)",C(COB1OCCCO1)COB2OCCCO2,C(COB1OCCCO1)COB2OCCCO2,InChI=1/C9H18B2O6/c1-4-12-10(13-5-1)16-8-3-9-17-11-14-6-2-7-15-11/h1-9H2,C9H18B2O6,,,,,,FZNHHPNJQSIEPT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.095,244-121-9,20941-65-5,"Tetrakis(diethyldithiocarbamato-S,S')tellurium","3,3-bis[(diethylcarbamothioyl)sulfanyl]-N,N,6-triethyl-1,5-dithioxo-2,4-dithia-3lambda~4~-tellura-6-azaoctan-1-amine",CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,"InChI=1/C20H40N4S8Te/c1-9-21(10-2)17(25)29-33(30-18(26)22(11-3)12-4,31-19(27)23(13-5)14-6)32-20(28)24(15-7)16-8/h9-16H2,1-8H3",C20H40N4S8Te,,,,,,DADTZHAWDPZVFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.720,243-709-2,20294-39-7,6-methylindan-5-ol,6-methylindan-5-ol,Cc1cc2CCCc2cc1O,Cc1cc2CCCc2cc1O,"InChI=1/C10H12O/c1-7-5-8-3-2-4-9(8)6-10(7)11/h5-6,11H,2-4H2,1H3",C10H12O,,,,,,CDNDNUZDPWTWQK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.723,243-712-9,20295-64-1,Chloride 2-chloropyridinium 1-oxide,2-chloropyridine 1-oxide,Clc1ccccn1=O,Clc1ccccn1=O,InChI=1/C5H4ClNO/c6-5-3-1-2-4-7(5)8/h1-4H,C5H4ClNO.ClH,,,,,,WYSRTEVFLQJJDN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.725,243-715-5,20296-94-0,Calcium bis(sulphanilate),calcium bis(4-aminobenzenesulfonate),[Ca+2].Nc1ccc(cc1)S(=O)(=O)[O-].Nc2ccc(cc2)S(=O)(=O)[O-],[Ca+2].Nc1ccc(cc1)S(=O)(=O)[O-].Nc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C6H7NO3S.Ca/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4H,7H2,(H,8,9,10);/q;;+2/p-2",C6H7NO3S.1/2Ca,,,,,,IPECHYKVIUSSEW-UHFFFAOYSA-L,,,,,,,,,,,
100.039.727,243-717-6,20298-05-9,"Trisodium 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonate","trisodium 2-{[3-methyl-5-oxo-1-(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)C4=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)C4=O,"InChI=1/C22H20N4O13S4.3Na/c1-13-20(22(27)26(25-13)14-5-7-15(8-6-14)40(28,29)12-11-39-43(36,37)38)24-23-18-10-9-16-17(21(18)42(33,34)35)3-2-4-19(16)41(30,31)32;;;/h2-10,20H,11-12H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",C22H20N4O13S4.3Na,,,,,,LREIRMMFYVWEAF-UHFFFAOYSA-K,,,,,,,,,,,
100.039.731,243-721-8,20298-72-0,cis-3-tert-butylcyclohexyl acetate,3-tert-butylcyclohexyl acetate,CC(=O)O[C@H]1CCC[C@H](C1)C(C)(C)C,CC(=O)O[C@H]1CCC[C@H](C1)C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,,,,,,NHUNEDUXIBOQML-MNOVXSKESA-N,,,,,,,,,,,
100.039.732,243-722-3,20305-50-4,Aniline sulphate,aniline sulfate,Nc1ccccc1.OS(=O)(=O)O,Nc1ccccc1.OS(=O)(=O)O,"InChI=1/C6H7N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H2,1,2,3,4)",C6H7N.xH2O4S,,,,,,NTOLGSSKLPLTDW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.733,243-723-9,20306-75-6,N-methyl-3-oxobutyramide,N-methyl-3-oxobutanamide,CNC(=O)CC(=O)C,CNC(=O)CC(=O)C,"InChI=1/C5H9NO2/c1-4(7)3-5(8)6-2/h3H2,1-2H3,(H,6,8)",C5H9NO2,,,,,,ATWLCPHWYPSRBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.742,243-733-3,20324-32-7,1-(2-methoxy-1-methylethoxy)propan-2-ol,1-(2-methoxy-1-methylethoxy)propan-2-ol,COCC(C)OCC(C)O,COCC(C)OCC(C)O,"InChI=1/C7H16O3/c1-6(8)4-10-7(2)5-9-3/h6-8H,4-5H2,1-3H3",C7H16O3,,,,,,WGYZMNBUZFHYRX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.745,243-737-5,20325-40-0,"3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride","3,3'-dimethoxybiphenyl-4,4'-diamine dihydrochloride",Cl.Cl.COc1cc(ccc1N)c2ccc(N)c(OC)c2,Cl.Cl.COc1cc(ccc1N)c2ccc(N)c(OC)c2,"InChI=1/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H",C14H16N2O2.2ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16226,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.745,UXTIAFYTYOEQHV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.378,245-532-6,23256-40-8,"3-[(2,6-dichlorophenyl)methylene]-N-hydroxycarbazamidine monohydrochloride","2-(2,6-dichlorobenzylidene)-N-hydroxyhydrazinecarboximidamide hydrochloride",Cl.Clc1cccc(Cl)c1C=NNC(=N)NO,Cl.Clc1cccc(Cl)c1C=NNC(=N)NO,"InChI=1/C8H8Cl2N4O.ClH/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15;/h1-4,15H,(H3,11,13,14);1H",C8H8Cl2N4O.ClH,,,,,,PQPZROSFRCBPIM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.379,245-533-1,23256-42-0,"Lactic acid, compound with 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine (1:1)","2-hydroxypropanoic acid - 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine (1:1)",COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.CC(O)C(=O)O,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.CC(O)C(=O)O,"InChI=1/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)",C14H18N4O3.C3H6O3,,,,,,IIZVTUWSIKTFKO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.236,250-876-5,31970-90-8,"Sebacic acid, compound with 1,3,5-triazine-2,4,6-triamine","decanedioic acid - 1,3,5-triazine-2,4,6-triamine (1:1)",Nc1nc(N)nc(N)n1.OC(=O)CCCCCCCCC(=O)O,Nc1nc(N)nc(N)n1.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C3H6N6/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;4-1-7-2(5)9-3(6)8-1/h1-8H2,(H,11,12)(H,13,14);(H6,4,5,6,7,8,9)",C10H18O4.xC3H6N6,,,,,,YRNURYHCEJJLHP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.128,244-158-0,21034-17-3,"3,4-dimethyl-2-[2-(phenylamino)vinyl]oxazolium iodide","2-(2-anilinovinyl)-3,4-dimethyl-1,3-oxazol-3-ium iodide",[I-].Cc1coc(\\C=C\\Nc2ccccc2)[n+]1C,[I-].Cc1coc(\C=C\Nc2ccccc2)[n+]1C,"InChI=1/C13H14N2O.HI/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12;/h3-10H,1-2H3;1H",C13H15N2O.I,,,,,,MAQWKZSXWNXMPC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.722,250-310-7,30727-14-1,1-ethylpyrrolidin-3-ol,1-ethylpyrrolidin-3-ol,CCN1CCC(O)C1,CCN1CCC(O)C1,"InChI=1/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3",C6H13NO,,,,,,IDBNECMSCRAUNU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.723,250-311-2,30727-18-5,Ethyl 1-methylpiperidine-2-carboxylate,ethyl 1-methylpiperidine-2-carboxylate,CCOC(=O)C1CCCCN1C,CCOC(=O)C1CCCCN1C,"InChI=1/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3",C9H17NO2,,,,,,ZICBNHLULHJETL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.724,250-312-8,30727-24-3,(±)-1-methylpyrrolidine-2-methanol,(1-methylpyrrolidin-2-yl)methanol,CN1CCCC1CO,CN1CCCC1CO,"InChI=1/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3",C6H13NO,,,,,,VCOJPHPOVDIRJK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.726,250-314-9,30729-50-1,"Trichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione","1,2,3-trichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione",Clc1cc2c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(C(=O)c2c(Cl)c1Cl)c3c49)c5c68,Clc1cc2c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(C(=O)c2c(Cl)c1Cl)c3c49)c5c68,InChI=1/C34H13Cl3O2/c35-25-13-24-20-8-7-17-18-9-11-22-28-15(14-3-1-2-4-21(14)33(22)38)5-6-16(26(18)28)19-10-12-23(29(20)27(17)19)34(39)30(24)32(37)31(25)36/h1-13H,C34H13Cl3O2,,,,,,WEPYJUUAUKHISC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.727,250-315-4,30734-81-7,"N,N-dimethylpropanediamine","N,N-dimethylpropane-1,1-diamine",CCC(N)N(C)C,CCC(N)N(C)C,"InChI=1/C5H14N2/c1-4-5(6)7(2)3/h5H,4,6H2,1-3H3",C5H14N2,,,,,,OOFAEFCMEHZNGP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.730,250-319-6,30741-06-1,3-ethylbenzoxazol-2(3H)-one,"3-ethyl-1,3-benzoxazol-2(3H)-one",CCN1C(=O)Oc2ccccc12,CCN1C(=O)Oc2ccccc12,"InChI=1/C9H9NO2/c1-2-10-7-5-3-4-6-8(7)12-9(10)11/h3-6H,2H2,1H3",C9H9NO2,,,,,,CQEWMIYTLWJAAY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.733,250-322-2,30745-55-2,Hydroxyaluminium bis(2-ethylhexanoate),hydroxyaluminum(2+) bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].O[Al+2],CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].O[Al+2],"InChI=1/2C8H16O2.Al.H2O/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;1H2/q;;+3;/p-3/r2C8H16O2.AlHO/c2*1-3-5-6-7(4-2)8(9)10;1-2/h2*7H,3-6H2,1-2H3,(H,9,10);2H/q;;+2/p-2",C16H31AlO5,,,,,,ITXFWNWNWXSDBB-UHFFFAOYSA-K,,,,,,,,,,,
100.045.738,250-328-5,30755-77-2,Carbonylbis[benzoic] acid,"2,2'-carbonyldibenzoic acid",OC(=O)c1ccccc1C(=O)c2ccccc2C(=O)O,OC(=O)c1ccccc1C(=O)c2ccccc2C(=O)O,"InChI=1/C15H10O5/c16-13(9-5-1-3-7-11(9)14(17)18)10-6-2-4-8-12(10)15(19)20/h1-8H,(H,17,18)(H,19,20)",C15H10O5,,,,,,OTLMQCNHFVYECA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.743,250-333-2,30772-79-3,"Octahydro-4,7-methano-1H-indenecarbaldehyde","octahydro-1H-4,7-methanoindene-1-carbaldehyde",O=CC1CCC2C3CCC(C3)C12,O=CC1CCC2C3CCC(C3)C12,"InChI=1/C11H16O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h6-11H,1-5H2",C11H16O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17510,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.743,USPJNXWHVJTDJW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.747,250-337-4,30781-73-8,Dimethylammonium nitrate,N-methylmethanaminium nitrate,C[NH2+]C.[O-][N+](=O)[O-],C[NH2+]C.[O-][N+](=O)[O-],"InChI=1/C2H7N.NO3/c1-3-2;2-1(3)4/h3H,1-2H3;/q;-1/p+1",C2H7N.HNO3,,,,,,PNPNMXIOVGWFOM-UHFFFAOYSA-O,,,,,,,,,,,
100.045.749,250-340-0,30787-41-8,"1,5-diamino-2,6-dibromo-4,8-dihydroxyanthraquinone","1,5-diamino-2,6-dibromo-4,8-dihydroxy-9,10-anthraquinone",Nc1c(Br)cc(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12,Nc1c(Br)cc(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12,"InChI=1/C14H8Br2N2O4/c15-3-1-5(19)7-9(11(3)17)14(22)8-6(20)2-4(16)12(18)10(8)13(7)21/h1-2,19-20H,17-18H2",C14H8Br2N2O4,,,,,,GKAYGVLBCJAHOE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.752,243-744-3,20338-08-3,Tetrahydroxytitanium,titanium(4+) tetrahydroxide,O[Ti](O)(O)O,O[Ti](O)(O)O,"InChI=1/4H2O.Ti/h4*1H2;/q;;;;+4/p-4/rH4O4Ti/c1-5(2,3)4/h1-4H",H4O4Ti,,,,,,LLZRNZOLAXHGLL-UHFFFAOYSA-J,,,,,,,,,,,
100.039.753,243-745-9,20339-55-3,2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl benzoate,2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(2-cyanoethyl)amino]ethyl benzoate,Cc1cc(ccc1N=Nc2ccc(cc2Cl)[N+](=O)[O-])N(CCOC(=O)c3ccccc3)CCC#N,Cc1cc(ccc1N=Nc2ccc(cc2Cl)[N+](=O)[O-])N(CCOC(=O)c3ccccc3)CCC#N,"InChI=1/C25H22ClN5O4/c1-18-16-20(8-10-23(18)28-29-24-11-9-21(31(33)34)17-22(24)26)30(13-5-12-27)14-15-35-25(32)19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,13-15H2,1H3",C25H22ClN5O4,,,,,,WHPIKYRFNMHMKN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.387,249-942-6,29901-62-0,Potassium sulphanilate,potassium 4-aminobenzenesulfonate,[K+].Nc1ccc(cc1)S(=O)(=O)[O-],[K+].Nc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H7NO3S.K/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1",C6H7NO3S.K,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1733,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.387,LDZHTQSBXDDUFB-UHFFFAOYSA-M,,,,,,,,,,,
100.045.388,249-943-1,29901-85-7,Hept-3-enoic acid,hept-3-enoic acid,CCCC=CCC(O)=O,CCCC=CCC(O)=O,"InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)",C7H12O2,,,,,,BCYXFRMDZWKZSF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.391,249-946-8,29908-03-0,(3S)-5'-[(3-amino-3-carboxylatopropyl)methylsulphonio]-5'-deoxyadenosine,"2-amino-4-[{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)",C[S+](CCC(N)C(=O)[O-])C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23,C[S+](CCC(N)C(=O)[O-])C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23,"InChI=1/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)",C15H22N6O5S,,,,,,MEFKEPWMEQBLKI-YDBXVIPQSA-N,,,,,,,,,,,
100.040.602,244-678-8,21951-34-8,"2,4-dihydro-2-[4-[(2-hydroxyethyl)sulphonyl]phenyl]-5-methyl-3H-pyrazol-3-one","2-{4-[(2-hydroxyethyl)sulfonyl]phenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)CCO,CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)CCO,"InChI=1/C12H14N2O4S/c1-9-8-12(16)14(13-9)10-2-4-11(5-3-10)19(17,18)7-6-15/h2-5,15H,6-8H2,1H3",C12H14N2O4S,,,,,,HYQYPARBQHUKAB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.603,244-679-3,21951-40-6,"3,3',5,5'-tetrabromo[1,1'-biphenyl]-2,2'-diol","3,3',5,5'-tetrabromobiphenyl-2,2'-diol",Oc1c(Br)cc(Br)cc1c2cc(Br)cc(Br)c2O,Oc1c(Br)cc(Br)cc1c2cc(Br)cc(Br)c2O,"InChI=1/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H",C12H6Cl4O2,,,,,,TXODBIOSWNNKJM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.605,244-681-4,21958-34-9,"Ethyl 2-[[2-hydroxy-3,5-bis(1-methylethyl)benzoyl]amino]benzoate","ethyl 2-[(2-hydroxy-3,5-diisopropylbenzoyl)amino]benzoate",CCOC(=O)c1ccccc1NC(=O)c2cc(cc(C(C)C)c2O)C(C)C,CCOC(=O)c1ccccc1NC(=O)c2cc(cc(C(C)C)c2O)C(C)C,"InChI=1/C22H27NO4/c1-6-27-22(26)16-9-7-8-10-19(16)23-21(25)18-12-15(13(2)3)11-17(14(4)5)20(18)24/h7-14,24H,6H2,1-5H3,(H,23,25)",C22H27NO4,,,,,,YFKMEHAVSBMMIY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.607,244-684-0,21962-84-5,"1,4-dioxocane-5,8-dione","1,4-dioxocane-5,8-dione",O=C1CCC(=O)OCCO1,O=C1CCC(=O)OCCO1,InChI=1/C6H8O4/c7-5-1-2-6(8)10-4-3-9-5/h1-4H2,C6H8O4,,,,,,LOWXIIGCOBSYKX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.609,244-686-1,21964-44-3,Non-1-en-3-ol,non-1-en-3-ol,CCCCCCC(O)C=C,CCCCCCC(O)C=C,"InChI=1/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3",C9H18O,,,,,,DWUPJMHAPOQKGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.612,244-689-8,21973-56-8,1-thio-ß-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate],1-S-{[5-(methylsulfanyl)pentanoyl](sulfooxy)amino}-1-thiohexopyranose,CSCCCCC(=O)N(OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O,CSCCCCC(=O)N(OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O,"InChI=1/C12H23NO10S3/c1-24-5-3-2-4-8(15)13(23-26(19,20)21)25-12-11(18)10(17)9(16)7(6-14)22-12/h7,9-12,14,16-18H,2-6H2,1H3,(H,19,20,21)",C12H23NO9S3,,,,,,ZTJLWSFUAGPRCE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.613,244-690-3,21974-48-1,"2,4,6-trimethylpiperidine","2,4,6-trimethylpiperidine",CC1CC(C)NC(C)C1,CC1CC(C)NC(C)C1,"InChI=1/C8H17N/c1-6-4-7(2)9-8(3)5-6/h6-9H,4-5H2,1-3H3",C8H17N,,,,,,GELXVDNNZSIRQA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.614,244-691-9,21981-33-9,"1,1,1,3,3-pentachlorobutane","1,1,1,3,3-pentachlorobutane",CC(Cl)(Cl)CC(Cl)(Cl)Cl,CC(Cl)(Cl)CC(Cl)(Cl)Cl,"InChI=1/C4H5Cl5/c1-3(5,6)2-4(7,8)9/h2H2,1H3",C4H5Cl5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10191,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.614,FFBFEBDZFWMXBE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.615,244-692-4,21982-43-4,2-ethoxyethyl 2-cyanoacrylate,2-ethoxyethyl 2-cyanoacrylate,CCOCCOC(=O)C(=C)C#N,CCOCCOC(=O)C(=C)C#N,"InChI=1/C8H11NO3/c1-3-11-4-5-12-8(10)7(2)6-9/h2-5H2,1H3",C8H11NO3,,,,,,IQDPHMACOQAPBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.616,244-694-5,21982-51-4,"1,5-bis(o-nitroanilino)anthraquinone","1,5-bis[(2-nitrophenyl)amino]-9,10-anthraquinone",[O-][N+](=O)c1ccccc1Nc2cccc3C(=O)c4c(Nc5ccccc5[N+](=O)[O-])cccc4C(=O)c23,[O-][N+](=O)c1ccccc1Nc2cccc3C(=O)c4c(Nc5ccccc5[N+](=O)[O-])cccc4C(=O)c23,"InChI=1/C26H16N4O6/c31-25-16-8-6-12-20(28-18-10-2-4-14-22(18)30(35)36)24(16)26(32)15-7-5-11-19(23(15)25)27-17-9-1-3-13-21(17)29(33)34/h1-14,27-28H",C26H16N4O6,,,,,,WOXKBZOCKBHPDR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.618,244-696-6,21986-78-7,Dibutyl[[3-[[dibutyl[[2-[(octyloxy)carbonyl]ethyl]thio]stannyl]thio]propionyl]oxy](octyloxy)stannane,"octyl 5,5,11,11-tetrabutyl-9-oxo-10,12-dioxa-4,6-dithia-5,11-distannaicosan-1-oate",CCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)O[Sn](CCCC)(CCCC)OCCCCCCCC,CCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)O[Sn](CCCC)(CCCC)OCCCCCCCC,"InChI=1/C11H22O2S.C8H17O.4C4H9.C3H6O2S.2Sn/c1-2-3-4-5-6-7-9-13-11(12)8-10-14;1-2-3-4-5-6-7-8-9;4*1-3-4-2;4-3(5)1-2-6;;/h14H,2-10H2,1H3;2-8H2,1H3;4*1,3-4H2,2H3;6H,1-2H2,(H,4,5);;/q;-1;;;;;;2*+2/p-3/rC38H78O5S2Sn2/c1-7-13-19-21-23-25-29-41-37(39)27-31-44-47(35-17-11-5,36-18-12-6)45-32-28-38(40)43-46(33-15-9-3,34-16-10-4)42-30-26-24-22-20-14-8-2/h7-36H2,1-6H3",C38H78O5S2Sn2,,,,,,UWIFBTKOEZYCIV-UHFFFAOYSA-K,,,,,,,,,,,
100.045.728,250-317-5,30737-19-0,Dichromium trioxalate,dichromium trioxalate,[Cr+2].[Cr+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Cr+2].[Cr+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Cr/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+2/p-6",C2H2O4.2/3Cr,,,,,,NWGPIPSYTBWFBQ-UHFFFAOYSA-H,,,,,,,,,,,
100.045.731,250-320-1,30744-82-2,Manganese(2+) tetrafluoroborate(1-),manganese(2+) ditetrafluoroborate,[Mn+2].F[B-](F)(F)F.F[B-](F)(F)F,[Mn+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Mn/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Mn,,,,,,ZUNZZRLEBNCEHI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.740,250-330-6,30769-76-7,"2,2'-[(2-methylpropyl)imino]bisethanol","2,2'-(isobutylimino)diethanol",CC(C)CN(CCO)CCO,CC(C)CN(CCO)CCO,"InChI=1/C8H19NO2/c1-8(2)7-9(3-5-10)4-6-11/h8,10-11H,3-7H2,1-2H3",C8H19NO2,,,,,,MVVQNBYRSDXHRF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.744,250-334-8,30776-59-1,Tetradecylbenzenesulphonic acid,2-tetradecylbenzenesulfonic acid,CCCCCCCCCCCCCCc1ccccc1S(=O)(=O)O,CCCCCCCCCCCCCCc1ccccc1S(=O)(=O)O,"InChI=1/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)24(21,22)23/h14-15,17-18H,2-13,16H2,1H3,(H,21,22,23)",C20H34O3S,,,,,,UNYKBGSYYHWZCB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.755,243-748-5,20345-62-4,Ethyl 2-(diethoxyphosphinyl)but-2-enoate,ethyl 2-(diethoxyphosphoryl)but-2-enoate,O=P(OCC)(OCC)C(=CC)C(=O)OCC,O=P(OCC)(OCC)C(=CC)C(=O)OCC,"InChI=1/C10H19O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h5H,6-8H2,1-4H3",C10H19O5P,,,,,,LKGVVQTVNFFWAT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.757,243-750-6,20347-65-3,"(1R,2S,4R)-bornyl acetate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate",CC(=O)OC1CC2CCC1(C)C2(C)C,CC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",C12H20O2,,,,,,KGEKLUUHTZCSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.759,243-752-7,20348-16-7,2-amino-6-methylpyridin-3-ol,2-amino-6-methylpyridin-3-ol,Cc1ccc(O)c(N)n1,Cc1ccc(O)c(N)n1,"InChI=1/C6H8N2O/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3,(H2,7,8)",C6H8N2O,,,,,,WJRVHFJZHFWCMS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.762,243-755-3,20349-42-2,2-(2-tert-butyl-5-methylphenoxy)aniline,2-(2-tert-butyl-5-methylphenoxy)aniline,Cc1ccc(c(Oc2ccccc2N)c1)C(C)(C)C,Cc1ccc(c(Oc2ccccc2N)c1)C(C)(C)C,"InChI=1/C17H21NO/c1-12-9-10-13(17(2,3)4)16(11-12)19-15-8-6-5-7-14(15)18/h5-11H,18H2,1-4H3",C17H21NO,,,,,,XOQCIBMHBHDBQP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.765,243-759-5,20350-44-1,"2-amino-5,6,7,8-tetrahydro-1H-pteridin-4-one sulphate","2-amino-5,6,7,8-tetrahydropteridin-4(1H)-one sulfate",NC1=NC(=O)C2=C(NCCN2)N1.OS(=O)(=O)O,NC1=NC(=O)C2=C(NCCN2)N1.OS(=O)(=O)O,"InChI=1/C6H9N5O.H2O4S/c7-6-10-4-3(5(12)11-6)8-1-2-9-4;1-5(2,3)4/h8H,1-2H2,(H4,7,9,10,11,12);(H2,1,2,3,4)",C6H9N5O.xH2O4S,,,,,,CPBWQWQPPDBUKA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.766,243-760-0,20352-84-5,2-amino-3-chloro-5-nitrobenzonitrile,2-amino-3-chloro-5-nitrobenzonitrile,Nc1c(Cl)cc(cc1C#N)[N+](=O)[O-],Nc1c(Cl)cc(cc1C#N)[N+](=O)[O-],"InChI=1/C7H4ClN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2",C7H4ClN3O2,,,,,,XVYNBLCPQVDRCH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.731,245-920-5,23873-27-0,"4,4'-(ethylenediimino)bis[4-oxobutyric] acid","4,4'-(ethane-1,2-diyldiimino)bis(4-oxobutanoic acid)",OC(=O)CCC(=O)NCCNC(=O)CCC(=O)O,OC(=O)CCC(=O)NCCNC(=O)CCC(=O)O,"InChI=1/C10H16N2O6/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)",C10H16N2O6,,,,,,LMGPYVMSTVLFIS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.737,245-926-8,23887-31-2,"7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid","7-chloro-2,2-dihydroxy-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid",OC(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1(O)O,OC(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1(O)O,"InChI=1/C16H13ClN2O4/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-14(15(20)21)16(22,23)19-12/h1-8,14,19,22-23H,(H,20,21)",C16H11ClN2O3,,,,,,DMKBGLSCDYFSGG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.743,245-933-6,23894-12-4,6-aminonaphthol,6-amino-1-naphthol,Nc1ccc2c(O)cccc2c1,Nc1ccc2c(O)cccc2c1,"InChI=1/C10H9NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,12H,11H2",C10H9NO,,,,,,QYFYIOWLBSPSDM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.747,245-937-8,23909-52-6,"1-benzyl-1,2,5,6-tetrahydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridine","1-benzyl-6-(4-methoxybenzyl)-4,5-dimethyl-1,2,3,6-tetrahydropyridine",COc1ccc(CC2N(Cc3ccccc3)CCC(=C2C)C)cc1,COc1ccc(CC2N(Cc3ccccc3)CCC(=C2C)C)cc1,"InChI=1/C22H27NO/c1-17-13-14-23(16-20-7-5-4-6-8-20)22(18(17)2)15-19-9-11-21(24-3)12-10-19/h4-12,22H,13-16H2,1-3H3",C22H27NO,,,,,,FGVXHUJLIAKCEK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.379,247-733-4,26487-67-2,N-(2-chloroethyl)perhydroazepine hydrochloride,1-(2-chloroethyl)azepane hydrochloride,Cl.ClCCN1CCCCCC1,Cl.ClCCN1CCCCCC1,InChI=1/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H,C8H16ClN.ClH,,,,,,ZQDSOUPBYJIPNM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.381,247-736-0,26488-93-7,N-(5-chloro-2-hydroxyphenyl)acetamide,N-(5-chloro-2-hydroxyphenyl)acetamide,CC(=O)Nc1cc(Cl)ccc1O,CC(=O)Nc1cc(Cl)ccc1O,"InChI=1/C8H8ClNO2/c1-5(11)10-7-4-6(9)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)",C8H8ClNO2,,,,,,HGDAFIJKXCFHPG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.381,245-535-2,23257-44-5,"6a-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-valerate","6-fluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C26H35FO6/c1-4-5-6-22(32)33-26(21(31)14-28)10-8-17-16-12-19(27)18-11-15(29)7-9-24(18,2)23(16)20(30)13-25(17,26)3/h7,9,11,16-17,19-20,23,28,30H,4-6,8,10,12-14H2,1-3H3",C26H35FO6,,,,,,JXWVQHSDWAODPY-HHJIKABBSA-N,,,,,,,,,,,
100.041.382,245-536-8,23257-56-9,"(R*,R*)-(-)-2-(a-acetoxybenzyl)piperidinium chloride",2-[acetoxy(phenyl)methyl]piperidinium chloride,[Cl-].CC(=O)OC(C1CCCC[NH2+]1)c2ccccc2,[Cl-].CC(=O)OC(C1CCCC[NH2+]1)c2ccccc2,"InChI=1/C14H19NO2.ClH/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13;/h2-4,7-8,13-15H,5-6,9-10H2,1H3;1H",C14H19NO2.ClH,,,,,,LDPSCUMJCVDWCB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.387,245-542-0,23267-57-4,"4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one","4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)but-3-en-2-one",CC(=O)C=CC12OC2(C)CCCC1(C)C,CC(=O)C=CC12OC2(C)CCCC1(C)C,"InChI=1/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3",C13H20O2,,,,,,ZTJZJYUGOJYHCU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.707,248-093-9,26896-20-8,Neodecanoic acid,"2-ethyl-2,5-dimethylhexanoic acid",CCC(C)(CCC(C)C)C(=O)O,CCC(C)(CCC(C)C)C(=O)O,"InChI=1/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)",C10H20O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15692,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.707,PKJSRUTWBDIWAR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.711,248-098-6,26901-59-7,4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-6-[(3-sulphophenyl)amino]naphthalene-2-sulphonic acid,4-hydroxy-3-[(2-methoxy-5-methyl-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid,COc4cc(c(C)cc4N=Nc3c(cc2ccc(Nc1cccc(c1)S(O)(=O)=O)cc2c3O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,COc4cc(c(C)cc4N=Nc3c(cc2ccc(Nc1cccc(c1)S(O)(=O)=O)cc2c3O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,"InChI=1/C26H25N3O14S4/c1-15-10-21(22(42-2)14-23(15)44(31,32)9-8-43-47(39,40)41)28-29-25-24(46(36,37)38)11-16-6-7-18(13-20(16)26(25)30)27-17-4-3-5-19(12-17)45(33,34)35/h3-7,10-14,27,30H,8-9H2,1-2H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)",C26H25N3O14S4,,,,,,BDBQDSFOTKBSMB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.712,248-099-1,26903-94-6,"N,N-diethyl-4-(1H-1,2,4-triazol-3-ylazo)aniline","N,N-diethyl-4-(4H-1,2,4-triazol-3-yldiazenyl)aniline",CCN(CC)c1ccc(cc1)N=Nc2ncnn2,CCN(CC)c1ccc(cc1)N=Nc2ncnn2,"InChI=1/C12H16N6/c1-3-18(4-2)11-7-5-10(6-8-11)15-17-12-13-9-14-16-12/h5-9H,3-4H2,1-2H3,(H,13,14,16)",C12H16N6,,,,,,KTKFBJWQVDOLMK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.713,248-100-5,26908-91-8,3-(diethylamino)propyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate hydrochloride,3-(diethylamino)propyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate hydrochloride,Cl.CCN(CC)CCCOC(=O)C1(CC2CCC1C2)c3ccccc3,Cl.CCN(CC)CCCOC(=O)C1(CC2CCC1C2)c3ccccc3,"InChI=1/C21H31NO2.ClH/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17;/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3;1H",C21H31NO2.ClH,,,,,,ODVPRPWQGNOPAY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.717,248-104-7,26914-43-2,Vinylbenzenesulphonic acid,2-vinylbenzenesulfonic acid,OS(=O)(=O)c1ccccc1C=C,OS(=O)(=O)c1ccccc1C=C,"InChI=1/C8H8O3S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H,1H2,(H,9,10,11)",C8H8O3S,,,,,,VMSBGXAJJLPWKV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.718,248-105-2,26915-12-8,Toluidine,p-toluidine,Cc1ccc(N)cc1,Cc1ccc(N)cc1,"InChI=1/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3",C7H9N,,,,,,RZXMPPFPUUCRFN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.726,248-114-1,26931-39-5,"1,4-bis[4-(4-chlorophenoxy)anilino]anthraquinone","1,4-bis{[4-(4-chlorophenoxy)phenyl]amino}-9,10-anthraquinone",Clc1ccc(Oc2ccc(Nc3ccc(Nc4ccc(Oc5ccc(Cl)cc5)cc4)c6C(=O)c7ccccc7C(=O)c36)cc2)cc1,Clc1ccc(Oc2ccc(Nc3ccc(Nc4ccc(Oc5ccc(Cl)cc5)cc4)c6C(=O)c7ccccc7C(=O)c36)cc2)cc1,"InChI=1/C38H24Cl2N2O4/c39-23-5-13-27(14-6-23)45-29-17-9-25(10-18-29)41-33-21-22-34(36-35(33)37(43)31-3-1-2-4-32(31)38(36)44)42-26-11-19-30(20-12-26)46-28-15-7-24(40)8-16-28/h1-22,41-42H",C38H24Cl2N2O4,,,,,,VBYVRBWNRUQDMH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.738,248-127-2,26946-66-7,1-methoxy-4-(1-methoxy-1-methylethyl)-1-methylcyclohexane,1-methoxy-4-(1-methoxy-1-methylethyl)-1-methylcyclohexane,COC(C)(C)C1CCC(C)(CC1)OC,COC(C)(C)C1CCC(C)(CC1)OC,"InChI=1/C12H24O2/c1-11(2,13-4)10-6-8-12(3,14-5)9-7-10/h10H,6-9H2,1-5H3",C12H24O2,,,,,,GGRDCTPZRBUOJU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.742,248-131-4,26952-14-7,Hexadecene,hexadec-1-ene,CCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCC=C,"InChI=1/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3",C16H32,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14268,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.742,GQEZCXVZFLOKMC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.743,248-133-5,26952-21-6,Isooctan-1-ol,6-methylheptan-1-ol,CC(C)CCCCCO,CC(C)CCCCCO,"InChI=1/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",C8H18O,,,,,,BWDBEAQIHAEVLV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.745,248-135-6,26952-29-4,Tetrakis(methylphenyl) orthosilicate,tetrakis(2-methylphenyl) orthosilicate,Cc1ccccc1O[Si](Oc2ccccc2C)(Oc3ccccc3C)Oc4ccccc4C,Cc1ccccc1O[Si](Oc2ccccc2C)(Oc3ccccc3C)Oc4ccccc4C,"InChI=1/C28H28O4Si/c1-21-13-5-9-17-25(21)29-33(30-26-18-10-6-14-22(26)2,31-27-19-11-7-15-23(27)3)32-28-20-12-8-16-24(28)4/h5-20H,1-4H3",C28H28O4Si,,,,,,TWMWZRUDJDOLDG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.761,243-754-8,20349-39-7,"Disodium 4-hydroxynaphthalene-2,7-disulphonate","disodium 4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc1cc(cc2cc(ccc12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cc(ccc12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2Na,,,,,,RJMDNLVCFLKDBY-UHFFFAOYSA-L,,,,,,,,,,,
100.039.764,243-757-4,20349-48-8,"Disodium 1-amino-4-(4-amino-2-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(4-amino-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C20H15N3O8S2.2Na/c21-9-5-6-12(14(7-9)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C20H15N3O8S2.2Na,,,,,,WCAVPXPSGHGFCU-UHFFFAOYSA-L,,,,,,,,,,,
100.041.724,245-912-1,23850-94-4,Butyltris[(2-ethyl-1-oxohexyl)oxy]stannane,butyl{tris[(2-ethylhexanoyl)oxy]}stannane,CCCCC(CC)C(=O)O[Sn](CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,CCCCC(CC)C(=O)O[Sn](CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3/rC28H54O6Sn/c1-8-15-19-23(12-5)26(29)32-35(22-18-11-4,33-27(30)24(13-6)20-16-9-2)34-28(31)25(14-7)21-17-10-3/h23-25H,8-22H2,1-7H3",C28H54O6Sn,,,,,,GVKORIDPEBYOFR-UHFFFAOYSA-K,,,,,,,,,,,
100.041.726,245-914-2,23851-84-5,Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate,ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate,CCOC(=O)c1cnc2c(cccc2c1O)C(F)(F)F,CCOC(=O)c1cnc2c(cccc2c1O)C(F)(F)F,"InChI=1/C13H10F3NO3/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)13(14,15)16/h3-6H,2H2,1H3,(H,17,18)",C13H10F3NO3,,,,,,XSNJFNKOHAUNPO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.730,245-918-4,23869-84-3,N-[[2-[[3-(trifluoromethyl)phenyl]amino]pyridin-3-yl]carbonyl]glycine,N-[(2-{[3-(trifluoromethyl)phenyl]amino}pyridin-3-yl)carbonyl]glycine,OC(=O)CNC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,OC(=O)CNC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,"InChI=1/C15H12F3N3O3/c16-15(17,18)9-3-1-4-10(7-9)21-13-11(5-2-6-19-13)14(24)20-8-12(22)23/h1-7H,8H2,(H,19,21)(H,20,24)(H,22,23)",C15H12F3N3O3,,,,,,VSQYJUFDGJFASD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.732,245-921-0,23873-81-6,Diphenylethanedione dioxime,"1,2-diphenylethane-1,2-dione dioxime",ON=C(C(=NO)c1ccccc1)c2ccccc2,ON=C(C(=NO)c1ccccc1)c2ccccc2,"InChI=1/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H",C14H12N2O2,,,,,,JJZONEUCDUQVGR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.736,245-925-2,23878-88-8,"5,6-dihydro-4,4,6-trimethyl-2-vinyl-4H-1,3-oxazine","4,4,6-trimethyl-2-vinyl-5,6-dihydro-4H-1,3-oxazine",CC1CC(C)(C)N=C(O1)C=C,CC1CC(C)(C)N=C(O1)C=C,"InChI=1/C9H15NO/c1-5-8-10-9(3,4)6-7(2)11-8/h5,7H,1,6H2,2-4H3",C9H15NO,,,,,,JMQHTHXKRALUHF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.376,247-730-8,26483-35-2,"N,N-dimethyldocosylamine N-oxide",docosyl(dimethyl)amine oxide,CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1/C24H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)26/h4-24H2,1-3H3",C24H51NO,,,,,,GORUZQZCUPHPAX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.377,247-731-3,26486-14-6,"S-(4,5-dihydro-2-methyl-3-furyl) ethanethioate","S-(2-methyl-4,5-dihydrofuran-3-yl) ethanethioate",CC(=O)SC1=C(C)OCC1,CC(=O)SC1=C(C)OCC1,"InChI=1/C7H10O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H2,1-2H3",C7H10O2S,,,,,,YDYAMYYOQBGPRX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.380,247-735-5,26488-60-8,2-ethylhexyl (6-isocyanatohexyl)-carbamate,2-ethylhexyl (6-isocyanatohexyl)carbamate,CCCCC(CC)COC(=O)NCCCCCCN=C=O,CCCCC(CC)COC(=O)NCCCCCCN=C=O,"InChI=1/C16H30N2O3/c1-3-5-10-15(4-2)13-21-16(20)18-12-9-7-6-8-11-17-14-19/h15H,3-13H2,1-2H3,(H,18,20)",C16H30N2O3,,,,,,BKSYWSWWJYBIRP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.384,247-739-7,26490-31-3,Nandrolone laurate,3-oxoestr-4-en-17-yl laurate,CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3",C30H48O3,,,,,,OXXNTXVXBWLYQE-PVHICTMWSA-N,,,,,,,,,,,
100.043.392,247-748-6,26496-99-1,"Bis(2,4-dichlorophenyl) carbonate","bis(2,4-dichlorophenyl) carbonate",Clc1ccc(OC(=O)Oc2ccc(Cl)cc2Cl)c(Cl)c1,Clc1ccc(OC(=O)Oc2ccc(Cl)cc2Cl)c(Cl)c1,InChI=1/C13H6Cl4O3/c14-7-1-3-11(9(16)5-7)19-13(18)20-12-4-2-8(15)6-10(12)17/h1-6H,C13H6Cl4O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11933,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.392,HBLSZXRYFSCREB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.393,247-749-1,26501-54-2,Tetrabutylammonium nitrite,"N,N,N-tributylbutan-1-aminium nitrite",CCCC[N+](CCCC)(CCCC)CCCC.[O-]N=O,CCCC[N+](CCCC)(CCCC)CCCC.[O-]N=O,"InChI=1/C16H36N.HNO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;(H,2,3)/q+1;/p-1",C16H36N.NO2,,,,,,SHRKDVQQQPFSIY-UHFFFAOYSA-M,,,,,,,,,,,
100.043.020,247-338-7,25912-16-7,m-(1-pyrrolidinyl)phenol,3-pyrrolidin-1-ylphenol,Oc1cccc(c1)N2CCCC2,Oc1cccc(c1)N2CCCC2,"InChI=1/C10H13NO/c12-10-5-3-4-9(8-10)11-6-1-2-7-11/h3-5,8,12H,1-2,6-7H2",C10H13NO,,,,,,BMTDPXOFINIBGC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.623,244-701-1,21995-31-3,Ammonium gadolinium(3+) disulphate,ammonium gadolinium(3+) disulphate,[NH4+].[Gd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Gd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Gd.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",Gd.H3N.2H2O4S,,,,,,JSHBZQPCMWGDOZ-UHFFFAOYSA-K,,,,,,,,,,,
100.040.624,244-702-7,21995-32-4,Ammonium lanthanum(3+) disulphate,ammonium lanthanum(3+) disulphate,[NH4+].[La+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[La+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/La.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",H3N.2H2O4S.La,,,,,,ZTSZHNPFZDMIFW-UHFFFAOYSA-K,,,,,,,,,,,
100.042.253,246-494-3,24850-33-7,Allyltributylstannane,allyl(tributyl)stannane,CCCC[Sn](CCCC)(CCCC)CC=C,CCCC[Sn](CCCC)(CCCC)CC=C,"InChI=1/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;/rC15H32Sn/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8H,4-7,9-15H2,1-3H3",C15H32Sn,,,,,,YLGRTLMDMVAFNI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.254,246-495-9,24851-98-7,Methyl 3-oxo-2-pentylcyclopentaneacetate,methyl (3-oxo-2-pentylcyclopentyl)acetate,CCCCCC1C(CC(=O)OC)CCC1=O,CCCCCC1C(CC(=O)OC)CCC1=O,"InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3",C13H22O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14840,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.254,KVWWIYGFBYDJQC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.257,246-499-0,24855-58-1,4-hydroxy-3-nitrobenzenesulphonamide,4-hydroxy-3-nitrobenzenesulfonamide,NS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],NS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C6H6N2O5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,(H2,7,12,13)",C6H6N2O5S,,,,,,SXSOYEBKXCZKDH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.265,246-508-8,24869-41-8,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-pivalate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl pivalate",CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C26H38O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3",C26H38O6,,,,,,AQJJGJDBTXHKCP-XDANTLIUSA-N,,,,,,,,,,,
100.042.269,246-513-5,24886-03-1,N-methyl-L-histidine,N-methyl-L-histidine,CN[C@@H](Cc1c[nH]cn1)C(=O)O,CN[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)",C7H11N3O2,,,,,,CYZKJBZEIFWZSR-LURJTMIESA-N,,,,,,,,,,,
100.042.270,246-514-0,24886-39-3,"2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-5-methyl-3H-pyrazol-3-one","2-(3-chlorophenyl)-4-{[2-hydroxy-5-(methylsulfonyl)phenyl]diazenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)cc3,CS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)cc3,"InChI=1/C17H15ClN4O4S/c1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23/h3-9,16,23H,1-2H3",C17H15ClN4O4S,,,,,,DFFCGGPSQUCANU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.179,248-613-4,27693-62-5,"Bis[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]isopropylammonium] sulphate","bis{N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]propan-2-aminium} sulfate",CC(C)[NH2+]CC(=O)c1ccc(O)c(O)c1.CC(C)[NH2+]CC(=O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-],CC(C)[NH2+]CC(=O)c1ccc(O)c(O)c1.CC(C)[NH2+]CC(=O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C11H15NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h2*3-5,7,12-14H,6H2,1-2H3;(H2,1,2,3,4)",C11H15NO3.1/2H2O4S,,,,,,BHSSANLYCSQQAM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.196,248-632-8,27739-28-2,Isobutyl p-anisate,isobutyl 4-methoxybenzoate,COc1ccc(cc1)C(=O)OCC(C)C,COc1ccc(cc1)C(=O)OCC(C)C,"InChI=1/C12H16O3/c1-9(2)8-15-12(13)10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3",C12H16O3,,,,,,HQYSDZUOGBUYJA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.197,248-633-3,27739-29-3,Isopentyl p-anisate,3-methylbutyl 4-methoxybenzoate,COc1ccc(cc1)C(=O)OCCC(C)C,COc1ccc(cc1)C(=O)OCCC(C)C,"InChI=1/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3",C13H18O3,,,,,,FVMBSMBXEVMMGH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.200,248-637-5,27753-52-2,"Nonabromo-1,1'-biphenyl","2,2',3,3',4,4',5,5',6-nonabromobiphenyl",Brc1c(c(Br)c(Br)c(Br)c1Br)c2cc(Br)c(Br)c(Br)c2Br,Brc1c(c(Br)c(Br)c(Br)c1Br)c2cc(Br)c(Br)c(Br)c2Br,InChI=1/C12HBr9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H,C12HBr9,,,,,,QLERKXRXNDBTDM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.211,248-649-0,27767-98-2,Methyl N-(2-cyanoethyl)-N-[4-[(2-cyano-4-nitrophenyl)azo]phenyl]-ß-alaninate,methyl N-(2-cyanoethyl)-N-{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}-beta-alaninate,COC(=O)CCN(CCC#N)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,COC(=O)CCN(CCC#N)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C20H18N6O4/c1-30-20(27)9-12-25(11-2-10-21)17-5-3-16(4-6-17)23-24-19-8-7-18(26(28)29)13-15(19)14-22/h3-8,13H,2,9,11-12H2,1H3",C20H18N6O4,,,,,,CUPYBRUIBNYSDK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.216,248-654-8,27776-01-8,Benzyltoluene,1-benzyl-2-methylbenzene,Cc1ccccc1Cc2ccccc2,Cc1ccccc1Cc2ccccc2,"InChI=1/C14H14/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3",C14H14,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2131,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.216,PQTAUFTUHHRKSS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.220,248-659-5,27790-37-0,Dipotassium tin bis(sulphate),dipotassium tin bis(sulphate),[K+].[K+].[Sn+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[K+].[K+].[Sn+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2K.2H2O4S.Sn/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);/q2*+1;;;+4/p-4",H2O4S.K.1/2Sn,,,,,,PZYNVKPIQNJJBP-UHFFFAOYSA-J,,,,,,,,,,,
100.043.385,247-740-2,26490-63-1,Cobalt(2+) tetrafluoroborate(1-),cobalt(2+) ditetrafluoroborate,[Co+2].F[B-](F)(F)F.F[B-](F)(F)F,[Co+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Co/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Co,,,,,,SSIMDEJNGHHZCA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.386,247-741-8,26492-09-1,7-chloro-7-methyl-3-methyleneoct-1-ene,7-chloro-7-methyl-3-methyleneoct-1-ene,CC(C)(Cl)CCCC(=C)C=C,CC(C)(Cl)CCCC(=C)C=C,"InChI=1/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5H,1-2,6-8H2,3-4H3",C10H17Cl,,,,,,NITSLSVRNZVJHN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.387,247-742-3,26494-10-0,"4-hydroxy-2,5-dimethylthiophen-3(2H)-one","4-hydroxy-2,5-dimethylthiophen-3(2H)-one",CC1SC(=C(O)C1=O)C,CC1SC(=C(O)C1=O)C,"InChI=1/C6H8O2S/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3",C6H8O2S,,,,,,LMGFTFOLCQQHHC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.388,247-743-9,26494-77-9,"3-methylthiomorpholin-4-amine 1,1-dioxide","3-methylthiomorpholin-4-amine 1,1-dioxide",CC1CS(=O)(=O)CCN1N,CC1CS(=O)(=O)CCN1N,"InChI=1/C5H12N2O2S/c1-5-4-10(8,9)3-2-7(5)6/h5H,2-4,6H2,1H3",C5H12N2O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17895,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.388,PKUNWUDZEDWLDY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.018,247-336-6,25910-85-4,6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolinium methyl sulphate,6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)vinyl]quinolinium methyl sulfate,CCOc1ccc2c(ccc(\\C=C\\c3cccc(c3)[N+](=O)[O-])[n+]2C)c1.COS(=O)(=O)[O-],CCOc1ccc2c(ccc(\C=C\c3cccc(c3)[N+](=O)[O-])[n+]2C)c1.COS(=O)(=O)[O-],"InChI=1/C20H19N2O3.CH4O4S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-5-6(2,3)4/h4-14H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C20H19N2O3.CH3O4S,,,,,,ZXQHSPWBYMLHLB-BXTVWIJMSA-M,,,,,,,,,,,
100.043.021,247-339-2,25912-94-1,"1-amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid","1-amino-4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,"InChI=1/C21H16N2O5S/c1-11-6-8-12(9-7-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)",C21H16N2O5S,,,,,,BSXYUOSITLGJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.024,247-342-9,25913-34-2,"Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate monohydrochloride","ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride",Cl.CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12,Cl.CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12,"InChI=1/C17H20N2O2S.ClH/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11,18H2,1H3;1H",C17H20N2O2S.ClH,,,,,,LMAQHEGFQZGATE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.025,247-343-4,25915-53-1,"1-(2,6,6-trimethyl-3-cyclohexen-1-yl)ethan-1-one","1-(2,6,6-trimethylcyclohex-3-en-1-yl)ethanone",CC1C=CCC(C)(C)C1C(=O)C,CC1C=CCC(C)(C)C1C(=O)C,"InChI=1/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h5-6,8,10H,7H2,1-4H3",C11H18O,,,,,,WLTIDHLMFJRJHE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.027,247-346-0,25917-35-5,Hexanol,hexan-1-ol,CCCCCCO,CCCCCCO,"InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",C6H14O,,,,,,ZSIAUFGUXNUGDI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.028,247-347-6,25920-18-7,"2,4-bis(benzyl)pyridine","2,4-dibenzylpyridine",C(c1ccccc1)c2ccnc(Cc3ccccc3)c2,C(c1ccccc1)c2ccnc(Cc3ccccc3)c2,"InChI=1/C19H17N/c1-3-7-16(8-4-1)13-18-11-12-20-19(15-18)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2",C19H17N,,,,,,FXGBAEGZOCVPCU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.029,247-348-1,25923-90-4,2-[(2-methoxyphenoxy)carbonyl]phenyl nicotinate,2-[(2-methoxyphenoxy)carbonyl]phenyl nicotinate,COc1ccccc1OC(=O)c2ccccc2OC(=O)c3cccnc3,COc1ccccc1OC(=O)c2ccccc2OC(=O)c3cccnc3,"InChI=1/C20H15NO5/c1-24-17-10-4-5-11-18(17)26-20(23)15-8-2-3-9-16(15)25-19(22)14-7-6-12-21-13-14/h2-13H,1H3",C20H15NO5,,,,,,AGOSKLDLMXRQQO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.035,247-354-4,25941-41-7,"2-[(dimethylamino)methyl]-2-ethylpropane-1,3-diol","2-[(dimethylamino)methyl]-2-ethylpropane-1,3-diol",CCC(CO)(CO)CN(C)C,CCC(CO)(CO)CN(C)C,"InChI=1/C8H19NO2/c1-4-8(6-10,7-11)5-9(2)3/h10-11H,4-7H2,1-3H3",C8H19NO2,,,,,,PBIHVCKVWPFHMN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.046,247-367-5,25955-19-5,Dibutylbis(nonanoyloxy)stannane,dibutyl[bis(nonanoyloxy)]stannane,CCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCC,CCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCC,"InChI=1/2C9H18O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9(10)11;2*1-3-4-2;/h2*2-8H2,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H52O4Sn/c1-5-9-13-15-17-19-21-25(27)29-31(23-11-7-3,24-12-8-4)30-26(28)22-20-18-16-14-10-6-2/h5-24H2,1-4H3",C26H52O4Sn,,,,,,BUOWPYZXTGPJFS-UHFFFAOYSA-L,,,,,,,,,,,
100.043.047,247-368-0,25956-17-6,Disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate,disodium 6-hydroxy-5-[(2-methoxy-3-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c3ccc(N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)c(OC)c3C,[Na+].[Na+].[O-]S(=O)(=O)c3ccc(N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)c(OC)c3C,"InChI=1/C18H16N2O8S2.2Na/c1-10-16(30(25,26)27)8-6-14(18(10)28-2)19-20-17-13-5-4-12(29(22,23)24)9-11(13)3-7-15(17)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H16N2O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12184,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.047,MBAWXPAFTOVQHZ-UHFFFAOYSA-L,,,,,,,,,,,
100.044.875,249-378-0,29030-80-6,Ethyl pentacosanoate,ethyl pentacosanoate,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC,"InChI=1/C27H54O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-4-2/h3-26H2,1-2H3",C27H54O2,,,,,,HZLJOMXKSSFKNU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.878,249-381-7,29036-21-3,(1-propanyl-3-ylidene)triphenol,"2,2',2''-propane-1,1,3-triyltriphenol",Oc1ccccc1CCC(c2ccccc2O)c3ccccc3O,Oc1ccccc1CCC(c2ccccc2O)c3ccccc3O,"InChI=1/C21H20O3/c22-19-10-4-1-7-15(19)13-14-16(17-8-2-5-11-20(17)23)18-9-3-6-12-21(18)24/h1-12,16,22-24H,13-14H2",C21H20O3,,,,,,CQOZJDNCADWEKH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.349,247-700-4,26446-32-2,"5-hydroxydodecanoic acid, monoester with glycerol","2,3-dihydroxypropyl 5-hydroxydodecanoate",CCCCCCCC(O)CCCC(=O)OCC(O)CO,CCCCCCCC(O)CCCC(=O)OCC(O)CO,"InChI=1/C15H30O5/c1-2-3-4-5-6-8-13(17)9-7-10-15(19)20-12-14(18)11-16/h13-14,16-18H,2-12H2,1H3",C15H30O5,,,,,,KCEQGTJBAICOKH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.362,247-715-6,26447-49-4,Hexabromododecane,"1,1,1,2,2,3-hexabromododecane",CCCCCCCCCC(Br)C(Br)(Br)C(Br)(Br)Br,CCCCCCCCCC(Br)C(Br)(Br)C(Br)(Br)Br,"InChI=1/C12H20Br6/c1-2-3-4-5-6-7-8-9-10(13)11(14,15)12(16,17)18/h10H,2-9H2,1H3",C12H20Br6,,,,,,HPYKUSUQLFQWGK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.363,247-716-1,26450-58-8,"1,1-dimethoxypentane","1,1-dimethoxypentane",CCCCC(OC)OC,CCCCC(OC)OC,"InChI=1/C7H16O2/c1-4-5-6-7(8-2)9-3/h7H,4-6H2,1-3H3",C7H16O2,,,,,,VMOZJXZMOQSSMH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.365,247-718-2,26452-97-1,Indan-1-carbonitrile,indane-1-carbonitrile,N#CC1CCc2ccccc12,N#CC1CCc2ccccc12,"InChI=1/C10H9N/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-6H2",C10H9N,,,,,,CAFXXESJSIBJBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.366,247-719-8,26464-05-1,2-bromo-3-methylbutyryl bromide,2-bromo-3-methylbutanoyl bromide,CC(C)C(Br)C(=O)Br,CC(C)C(Br)C(=O)Br,"InChI=1/C5H8Br2O/c1-3(2)4(6)5(7)8/h3-4H,1-2H3",C5H8Br2O,,,,,,HFAUMPWMNPYULN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.368,247-721-9,26469-34-1,Butyl 2-hydroxyethyl maleate,butyl 2-hydroxyethyl but-2-enedioate,CCCCOC(=O)\\C=C/C(=O)OCCO,CCCCOC(=O)\C=C/C(=O)OCCO,"InChI=1/C10H16O5/c1-2-3-7-14-9(12)4-5-10(13)15-8-6-11/h4-5,11H,2-3,6-8H2,1H3",C10H16O5,,,,,,PUDIPIBJWKQFNR-PLNGDYQASA-N,,,,,,,,,,,
100.046.002,250-619-7,31411-12-8,N-(3-nitro-2-pyridyl)ethylenediamine,"N-(3-nitropyridin-2-yl)ethane-1,2-diamine",NCCNc1ncccc1[N+](=O)[O-],NCCNc1ncccc1[N+](=O)[O-],"InChI=1/C7H10N4O2/c8-3-5-10-7-6(11(12)13)2-1-4-9-7/h1-2,4H,3,5,8H2,(H,9,10)",C7H10N4O2,,,,,,VEEUCCPATNOHPT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.003,250-620-2,31411-98-0,Pentachlorodisilane,"1,1,1,2,2-pentachlorodisilane",Cl[SiH](Cl)[Si](Cl)(Cl)Cl,Cl[SiH](Cl)[Si](Cl)(Cl)Cl,"InChI=1/Cl5HSi2/c1-6(2)7(3,4)5/h6H",Cl5HSi2,,,,,,RNQFIQRKAYTMLC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.004,250-621-8,31416-33-8,Barium dibutyrate,barium dibutanoate,[Ba+2].CCCC(=O)[O-].CCCC(=O)[O-],[Ba+2].CCCC(=O)[O-].CCCC(=O)[O-],"InChI=1/2C4H8O2.Ba/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2",C4H8O2.1/2Ba,,,,,,AESMDVCWMVZFRQ-UHFFFAOYSA-L,,,,,,,,,,,
100.046.013,250-631-2,31431-19-3,4-amino-3-nitrobenzophenone,(4-amino-3-nitrophenyl)(phenyl)methanone,Nc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2,Nc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2,"InChI=1/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2",C13H10N2O3,,,,,,NGOOFAMQPUEDJM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.018,250-637-5,31431-43-3,Ciclobendazole,methyl [5-(cyclopropylcarbonyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)C3CC3,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)C3CC3,"InChI=1/C13H13N3O3/c1-19-13(18)16-12-14-9-5-4-8(6-10(9)15-12)11(17)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15,16,18)",C13H13N3O3,,,,,,OXLKOMYHDYVIDM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.109,244-137-6,20981-49-1,Ytterbium(3+) acetate,ytterbium(3+) triacetate,[Yb+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Yb+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Yb.2H/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;;/q;;;+3;;/p-3/r3C2H4O2.H2Yb/c3*1-2(3)4;/h3*1H3,(H,3,4);1H2/q;;;+3/p-3",C2H4O2.1/3Yb,,,,,,OSCVBYCJUSOYPN-UHFFFAOYSA-K,,,,,,,,,,,
100.040.112,244-140-2,20993-76-4,(±)-cis-2-methylcyclohexanecarboxylic acid,2-methylcyclohexanecarboxylic acid,CC1CCCCC1C(=O)O,CC1CCCCC1C(=O)O,"InChI=1/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)",C8H14O2,,,,,,VSKXJRZPVDLHFY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.119,244-148-6,21016-37-5,"4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulphonic acid","4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonic acid",CCN(CC)c1ccc(cc1)C(c2ccc(cc2)N(CC)CC)c3ccc(cc3S(=O)(=O)O)S(=O)(=O)O,CCN(CC)c1ccc(cc1)C(c2ccc(cc2)N(CC)CC)c3ccc(cc3S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C27H34N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35/h9-19,27H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35)",C27H34N2O6S2,,,,,,RJKKOTYXWNWZTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.122,244-151-2,21020-24-6,3-chlorobut-1-yne,3-chlorobut-1-yne,CC(Cl)C#C,CC(Cl)C#C,"InChI=1/C4H5Cl/c1-3-4(2)5/h1,4H,2H3",C4H5Cl,,,,,,PZFBULOUMNPBFA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.031,247-350-2,25926-45-8,2-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonic acid,2-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]-5-nitrobenzenesulfonic acid,Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O)S(O)(=O)=O,Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O)S(O)(=O)=O,"InChI=1/C16H11N3O7S/c20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26/h1-8,20-21H,(H,24,25,26)",C16H11N3O7S,,,,,,DGHYCCNYKZSGDB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.034,247-353-9,25935-14-2,"1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium iodide","1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium iodide",[I-].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[n+]1ccccc1,[I-].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[n+]1ccccc1,"InChI=1/C15H9F17N.HI/c16-8(17,4-7-33-5-2-1-3-6-33)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;/h1-3,5-6H,4,7H2;1H/q+1;/p-1",C15H9F17N.I,,,,,,ZRODNZIFNOYXDA-UHFFFAOYSA-M,,,,,,,,,,,
100.043.040,247-360-7,25952-35-6,"Tetrahydro-3,5-dimethyl-4H-1,3,5-oxadiazine-4-thione","3,5-dimethyl-1,3,5-oxadiazinane-4-thione",CN1COCN(C)C1=S,CN1COCN(C)C1=S,"InChI=1/C5H10N2OS/c1-6-3-8-4-7(2)5(6)9/h3-4H2,1-2H3",C5H10N2OS,,,,,,SDWKXMBJXPQCJU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.052,247-373-8,25962-03-2,5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{5-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",OC(=O)CN1C(=O)C(SC1=S)=CC=C3Sc2ccccc2N3CC,OC(=O)CN1C(=O)C(SC1=S)=CC=C3Sc2ccccc2N3CC,"InChI=1/C16H14N2O3S3/c1-2-17-10-5-3-4-6-11(10)23-13(17)8-7-12-15(21)18(9-14(19)20)16(22)24-12/h3-8H,2,9H2,1H3,(H,19,20)",C16H14N2O3S3,,,,,,NVXMOCINNAPHSD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.055,247-376-4,25962-16-7,5-(3-ethyl-(3H)-benzoxazol-2-ylidene)-3-phenyl-2-thioxothiazolidin-4-one,"5-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one",CCN1C(=C2SC(=S)N(C2=O)c3ccccc3)Oc4ccccc14,CCN1C(=C2SC(=S)N(C2=O)c3ccccc3)Oc4ccccc14,"InChI=1/C18H14N2O2S2/c1-2-19-13-10-6-7-11-14(13)22-17(19)15-16(21)20(18(23)24-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3",C18H14N2O2S2,,,,,,NZXOOVIFUOKSNY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.146,244-177-4,21053-66-7,5-propylidenefuran-2(5H)-one,5-propylidenefuran-2(5H)-one,CCC=C1/C=C\\C(=O)O1,CCC=C1/C=C\C(=O)O1,"InChI=1/C7H8O2/c1-2-3-6-4-5-7(8)9-6/h3-5H,2H2,1H3",C7H8O2,,,,,,KPXZIOCGUHUFDR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.148,244-180-0,21055-30-1,"4,4'-diamidinodiphenylamine dihydrochloride","4,4'-iminodibenzenecarboximidamide",NC(=N)c1ccc(Nc2ccc(cc2)C(=N)N)cc1,NC(=N)c1ccc(Nc2ccc(cc2)C(=N)N)cc1,"InChI=1/C14H15N5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8,19H,(H3,15,16)(H3,17,18)",C14H15N5.2ClH,,,,,,OOSANNOCGQRXSP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.152,244-184-2,21059-42-7,"Methyl 3a-[(ethoxycarbonyl)oxy]-7,12-dioxo-5ß-cholan-24-oate","methyl 3-[(ethoxycarbonyl)oxy]-7,12-dioxocholan-24-oate",CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)C(=O)C[C@H]23,CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)C(=O)C[C@H]23,"InChI=1/C28H42O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-21,25H,6-15H2,1-5H3",C28H42O7,,,,,,ZVEMQMLASDHXDY-WCRLLZLGSA-N,,,,,,,,,,,
100.040.153,244-185-8,21059-46-1,Calcium L-aspartate,calcium 2-aminosuccinate,[Ca+2].N[C@@H](CC(=O)[O-])C(=O)[O-],[Ca+2].N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2",C4H7NO4.xCa,,,,,,OPSXJNAGCGVGOG-DKWTVANSSA-L,,,,,,,,,,,
100.040.154,244-186-3,21062-20-4,Oxydiacetyl dichloride,"2,2'-oxydiacetyl chloride",ClC(=O)COCC(=O)Cl,ClC(=O)COCC(=O)Cl,InChI=1/C4H4Cl2O3/c5-3(7)1-9-2-4(6)8/h1-2H2,C4H4Cl2O3,,,,,,GTZXSBQCNBNWPK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.162,244-195-2,21078-72-8,3-methylnonan-3-ol,3-methylnonan-3-ol,CCCCCCC(C)(O)CC,CCCCCCC(C)(O)CC,"InChI=1/C10H22O/c1-4-6-7-8-9-10(3,11)5-2/h11H,4-9H2,1-3H3",C10H22O,,,,,,VZBFPIMCUSPDLS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.182,244-217-0,21112-68-5,2-hydroxy-4-(2-phenoxyethoxy)benzophenone,[2-hydroxy-4-(2-phenoxyethoxy)phenyl](phenyl)methanone,Oc1cc(OCCOc2ccccc2)ccc1C(=O)c3ccccc3,Oc1cc(OCCOc2ccccc2)ccc1C(=O)c3ccccc3,"InChI=1/C21H18O4/c22-20-15-18(25-14-13-24-17-9-5-2-6-10-17)11-12-19(20)21(23)16-7-3-1-4-8-16/h1-12,15,22H,13-14H2",C21H18O4,,,,,,KRAXDLMUOHFJBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.768,243-762-1,20357-25-9,6-nitroveratraldehyde,"4,5-dimethoxy-2-nitrobenzaldehyde",COc1cc(C=O)c(cc1OC)[N+](=O)[O-],COc1cc(C=O)c(cc1OC)[N+](=O)[O-],"InChI=1/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3",C9H9NO5,,,,,,YWSPWKXREVSQCA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.774,243-768-4,20367-34-4,2-nitro-4-propoxyaniline,2-nitro-4-propoxyaniline,CCCOc1ccc(N)c(c1)[N+](=O)[O-],CCCOc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C9H12N2O3/c1-2-5-14-7-3-4-8(10)9(6-7)11(12)13/h3-4,6H,2,5,10H2,1H3",C9H12N2O3,,,,,,VUMCVANUWQZNGD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.777,243-772-6,20375-65-9,3-chloro-6-phenylpyridazine,3-chloro-6-phenylpyridazine,Clc1ccc(nn1)c2ccccc2,Clc1ccc(nn1)c2ccccc2,InChI=1/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,C10H7ClN2,,,,,,BUBRFWDEAVIFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.931,245-041-7,22501-82-2,"2-methyl-4H-pyrazolo[1,5-a]benzimidazole","2-methyl-4H-pyrazolo[1,5-a]benzimidazole",Cc1cc2[nH]c3ccccc3n2n1,Cc1cc2[nH]c3ccccc3n2n1,"InChI=1/C10H9N3/c1-7-6-10-11-8-4-2-3-5-9(8)13(10)12-7/h2-6,11H,1H3",C10H9N3,,,,,,ZOTKUMAGJQDASQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.937,245-048-5,22509-74-6,"Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-carboxylate","ethyl 1,3-dioxo-1,3-dihydro-2H-isoindole-2-carboxylate",CCOC(=O)N1C(=O)c2ccccc2C1=O,CCOC(=O)N1C(=O)c2ccccc2C1=O,"InChI=1/C11H9NO4/c1-2-16-11(15)12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3",C11H9NO4,,,,,,VRHAQNTWKSVEEC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.938,245-049-0,22514-23-4,Fopirtoline,4-{2-[(6-chloropyridin-2-yl)sulfanyl]ethyl}morpholine,Clc1cccc(SCCN2CCOCC2)n1,Clc1cccc(SCCN2CCOCC2)n1,"InChI=1/C11H15ClN2OS/c12-10-2-1-3-11(13-10)16-9-6-14-4-7-15-8-5-14/h1-3H,4-9H2",C11H15ClN2OS,,,,,,IEZSLVKNOOIGQP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.947,245-059-5,22532-68-9,"1,2,4-trichloro-5-(4-nitrophenoxy)benzene","1,2,4-trichloro-5-(4-nitrophenoxy)benzene",[O-][N+](=O)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1,[O-][N+](=O)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1,InChI=1/C12H6Cl3NO3/c13-9-5-11(15)12(6-10(9)14)19-8-3-1-7(2-4-8)16(17)18/h1-6H,C12H6Cl3NO3,,,,,,AKQJUFWAKHZMIY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.952,245-064-2,22535-90-6,"6,6'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyldiethylene)bis(1,3,5-triazine--2,4-diamine)","6,6'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyldiethane-2,1-diyl)bis(1,3,5-triazine-2,4-diamine)",Nc1nc(N)nc(CCC2OCC3(COC(CCc4nc(N)nc(N)n4)OC3)CO2)n1,Nc1nc(N)nc(CCC2OCC3(COC(CCc4nc(N)nc(N)n4)OC3)CO2)n1,"InChI=1/C17H26N10O4/c18-13-22-9(23-14(19)26-13)1-3-11-28-5-17(6-29-11)7-30-12(31-8-17)4-2-10-24-15(20)27-16(21)25-10/h11-12H,1-8H2,(H4,18,19,22,23,26)(H4,20,21,24,25,27)",C17H26N10O4,,,,,,DUZLHGMYNVZMCO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.955,245-067-9,22539-80-6,Diethyl (3-methylbut-2-enyl)malonate,diethyl (3-methylbut-2-en-1-yl)malonate,CCOC(=O)C(CC=C(C)C)C(=O)OCC,CCOC(=O)C(CC=C(C)C)C(=O)OCC,"InChI=1/C12H20O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h7,10H,5-6,8H2,1-4H3",C12H20O4,,,,,,UXBLYMUHQJDAFO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.966,245-079-4,22560-84-5,"Methyl 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)acrylate","methyl 2-cyano-3-(2-methyl-2,3-dihydro-1H-indol-1-yl)acrylate",COC(=O)\\C(=C/N1C(C)Cc2ccccc12)\\C#N,COC(=O)\C(=C/N1C(C)Cc2ccccc12)\C#N,"InChI=1/C14H14N2O2/c1-10-7-11-5-3-4-6-13(11)16(10)9-12(8-15)14(17)18-2/h3-6,9-10H,7H2,1-2H3",C14H14N2O2,,,,,,IELMCEIHXZGQBI-XFXZXTDPSA-N,,,,,,,,,,,
100.040.969,245-083-6,22564-99-4,"(±)-3,7-dimethyl-1,6-octadien-3-ol","3,7-dimethylocta-1,6-dien-3-ol",CC(=CCCC(C)(O)C=C)C,CC(=CCCC(C)(O)C=C)C,"InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C10H18O,,,,,,CDOSHBSSFJOMGT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.972,245-086-2,22567-36-8,"[3S-[3a,6a(R*)]-tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3-ol","2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)tetrahydro-2H-pyran-3-ol",CC1=CCC(CC1)C2(C)CCC(O)C(C)(C)O2,CC1=CCC(CC1)C2(C)CCC(O)C(C)(C)O2,"InChI=1/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3",C15H26O2,,,,,,WJHRAVIQWFQMKF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.400,249-956-2,29921-57-1,Isopropyl bromoacetate,isopropyl bromoacetate,CC(C)OC(=O)CBr,CC(C)OC(=O)CBr,"InChI=1/C5H9BrO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3",C5H9BrO2,,,,,,JCWLEWKPXYZHGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.405,249-962-5,29932-58-9,"1-[1,1'-biphenyl]ylethan-1-one",1-biphenyl-2-ylethanone,CC(=O)c1ccccc1c2ccccc2,CC(=O)c1ccccc1c2ccccc2,"InChI=1/C14H12O/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-10H,1H3",C14H12O,,,,,,XZWYAMYRMMMHKM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.408,249-965-1,29939-35-3,"4,6-dimethoxy-5-nitro-2-phenylpyrimidine","4,6-dimethoxy-5-nitro-2-phenylpyrimidine",COc1nc(nc(OC)c1[N+](=O)[O-])c2ccccc2,COc1nc(nc(OC)c1[N+](=O)[O-])c2ccccc2,"InChI=1/C12H11N3O4/c1-18-11-9(15(16)17)12(19-2)14-10(13-11)8-6-4-3-5-7-8/h3-7H,1-2H3",C12H11N3O4,,,,,,FWIMKFKYOGWCNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.409,249-966-7,29941-82-0,2-ethoxycyclohex-2-en-1-one,2-ethoxycyclohex-2-en-1-one,CCOC1=CCCCC1=O,CCOC1=CCCCC1=O,"InChI=1/C8H12O2/c1-2-10-8-6-4-3-5-7(8)9/h6H,2-5H2,1H3",C8H12O2,,,,,,PJLUWPNLDKJSCF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.411,249-968-8,29946-28-9,2-mercaptoethyl myristate,2-sulfanylethyl myristate,CCCCCCCCCCCCCC(=O)OCCS,CCCCCCCCCCCCCC(=O)OCCS,"InChI=1/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15-19/h19H,2-15H2,1H3",C16H32O2S,,,,,,BNZMFBWZRAWMQT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.415,249-973-5,29953-09-1,"1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-mercaptopropan-2-ol]","1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(3-sulfanylpropan-2-ol)",CC(C)(c1ccc(OCC(O)CS)cc1)c2ccc(OCC(O)CS)cc2,CC(C)(c1ccc(OCC(O)CS)cc1)c2ccc(OCC(O)CS)cc2,"InChI=1/C21H28O4S2/c1-21(2,15-3-7-19(8-4-15)24-11-17(22)13-26)16-5-9-20(10-6-16)25-12-18(23)14-27/h3-10,17-18,22-23,26-27H,11-14H2,1-2H3",C21H28O4S2,,,,,,OLPTYESEXWLOCS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.051,247-372-2,25961-89-1,2-[2-[2-(hexyloxy)ethoxy]ethoxy]ethanol,2-{2-[2-(hexyloxy)ethoxy]ethoxy}ethanol,CCCCCCOCCOCCOCCO,CCCCCCOCCOCCOCCO,"InChI=1/C12H26O4/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h13H,2-12H2,1H3",C12H26O4,,,,,,RGICCULPCWNRAB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.057,247-379-0,25965-91-7,"1-amino-4-[[3-[[4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(3-{[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino}-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c(c(C)c1Nc5nc(Cl)nc(Oc6ccc(cc6)S(=O)(=O)O)n5)S(=O)(=O)O,Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c(c(C)c1Nc5nc(Cl)nc(Oc6ccc(cc6)S(=O)(=O)O)n5)S(=O)(=O)O,"InChI=1/C32H25ClN6O12S3/c1-13-25(35-20-12-21(53(45,46)47)24(34)23-22(20)27(40)18-6-4-5-7-19(18)28(23)41)14(2)29(54(48,49)50)15(3)26(13)36-31-37-30(33)38-32(39-31)51-16-8-10-17(11-9-16)52(42,43)44/h4-12,35H,34H2,1-3H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,36,37,38,39)",C32H25ClN6O12S3,,,,,,QECGUTSSKABWFV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.059,247-381-1,25966-79-4,"[1aS-(1aa,2a,4aß,8aR*)]-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalen-3(1H)-one","2,4a,8,8-tetramethyloctahydrocyclopropa[d]naphthalen-3(1H)-one",CC1C2CC23C(C)(C)CCCC3(C)CC1=O,CC1C2CC23C(C)(C)CCCC3(C)CC1=O,"InChI=1/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3",C15H24O,,,,,,LFWRAJWJODKLTN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.163,244-196-8,21078-83-1,Tetradecan-5-ol,tetradecan-5-ol,CCCCCCCCCC(O)CCCC,CCCCCCCCCC(O)CCCC,"InChI=1/C14H30O/c1-3-5-7-8-9-10-11-13-14(15)12-6-4-2/h14-15H,3-13H2,1-2H3",C14H30O,,,,,,UCEOYIRETCABER-UHFFFAOYSA-N,,,,,,,,,,,
100.040.164,244-197-3,21078-87-5,Hexadecan-5-ol,hexadecan-5-ol,CCCCCCCCCCCC(O)CCCC,CCCCCCCCCCCC(O)CCCC,"InChI=1/C16H34O/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h16-17H,3-15H2,1-2H3",C16H34O,,,,,,HNDLTSNUZCYNRL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.165,244-198-9,21080-92-2,Thiophene-3-malonic acid,3-thienylmalonic acid,OC(=O)C(C(=O)O)c1ccsc1,OC(=O)C(C(=O)O)c1ccsc1,"InChI=1/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)",C7H6O4S,,,,,,GCOOGCQWQFRJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.168,244-201-3,21083-47-6,"5,5-diphenyl-2-thioxoimidazolidin-4-one","5,5-diphenyl-2-thioxoimidazolidin-4-one",O=C1NC(=S)NC1(c2ccccc2)c3ccccc3,O=C1NC(=S)NC1(c2ccccc2)c3ccccc3,"InChI=1/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",C15H12N2OS,,,,,,AMDPNECWKZZEBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.169,244-202-9,21085-60-9,Calcium oxomalonate,calcium oxomalonate,[Ca+2].[O-]C(=O)C(=O)C(=O)[O-],[Ca+2].[O-]C(=O)C(=O)C(=O)[O-],"InChI=1/C3H2O5.Ca/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);/q;+2/p-2",C3H2O5.Ca,,,,,,YYJSBERANQTJJH-UHFFFAOYSA-L,,,,,,,,,,,
100.040.170,244-203-4,21085-72-3,Methyl tri-O-acetyl-1-bromo-1-deoxy-a-D-glucopyranuronate,"methyl 2,3,4-tri-O-acetylhexopyranosyluronate bromide",COC(=O)C1OC(Br)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,COC(=O)C1OC(Br)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,"InChI=1/C13H17BrO9/c1-5(15)20-8-9(21-6(2)16)11(13(18)19-4)23-12(14)10(8)22-7(3)17/h8-12H,1-4H3",C13H17BrO9,,,,,,GWTNLHGTLIBHHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.172,244-206-0,21086-87-3,(4-methylphenyl)methyl p-toluate,4-methylbenzyl 4-methylbenzoate,Cc1ccc(COC(=O)c2ccc(C)cc2)cc1,Cc1ccc(COC(=O)c2ccc(C)cc2)cc1,"InChI=1/C16H16O2/c1-12-3-7-14(8-4-12)11-18-16(17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3",C16H16O2,,,,,,JSMHXVURHYHQGT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.176,244-210-2,21089-06-5,Dipotassium dihydrogen (1-hydroxyethylidene)bisphosphonate,"dipotassium dihydrogen (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[K+].[K+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[K+].[K+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.2K/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-4",C2H8O7P2.2K,,,,,,YGZBDWZUQFVAHU-UHFFFAOYSA-J,,,,,,,,,,,
100.040.181,244-216-5,21112-37-8,"2-tert-butyl-1,4-dimethoxybenzene","2-tert-butyl-1,4-dimethoxybenzene",COc1ccc(OC)c(c1)C(C)(C)C,COc1ccc(OC)c(c1)C(C)(C)C,"InChI=1/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3",C12H18O2,,,,,,ALVJDUNBMKMTDC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.183,244-218-6,21115-77-5,"1,5,10-trimethylcyclododeca-1,5,9-triene","1,5,10-trimethylcyclododeca-1,5,9-triene",C\\C\\1=C/CC\\C=C(/C)\\CCC(=CCC1)C,C\C\1=C/CC\C=C(/C)\CCC(=CCC1)C,"InChI=1/C15H24/c1-13-7-4-5-8-14(2)11-12-15(3)10-6-9-13/h7-8,10H,4-6,9,11-12H2,1-3H3",C15H24,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6099,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.183,DRDYICOUDVAVGE-HGDJKWDJSA-N,,,,,,,,,,,
100.039.769,243-763-7,20357-37-3,1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetyl chloride,[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl chloride,COc1ccc2c(c1)c(CC(=O)Cl)c(C)n2C(=O)c3ccc(Cl)cc3,COc1ccc2c(c1)c(CC(=O)Cl)c(C)n2C(=O)c3ccc(Cl)cc3,"InChI=1/C19H15Cl2NO3/c1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3",C19H15Cl2NO3,,,,,,VCVWWGAKIXAYTN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.755,245-946-7,23942-99-6,"[S-(R*,S*)]-3,4-dimethoxy-a1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-o-xylene-a,a'-diol","[2-(hydroxymethyl)-3,4-dimethoxyphenyl](4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol",COc1ccc(C(O)C2N(C)CCc3cc4OCOc4c(OC)c23)c(CO)c1OC,COc1ccc(C(O)C2N(C)CCc3cc4OCOc4c(OC)c23)c(CO)c1OC,"InChI=1/C22H27NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24/h5-6,9,18-19,24-25H,7-8,10-11H2,1-4H3",C22H27NO7,,,,,,BHLLOBXLOWXZDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.756,245-947-2,23945-44-0,"2,4-dihydroxypyrimidine-5-carboxylic acid","2,4-dihydroxypyrimidine-5-carboxylic acid",OC(=O)c1cnc(O)nc1O,OC(=O)c1cnc(O)nc1O,"InChI=1/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",C5H4N2O4,,,,,,ZXYAAVBXHKCJJB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.763,245-955-6,23961-22-0,"2-chloro-6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","2-chloro-6,9-difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)Cl,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)Cl,"InChI=1/C24H29ClF2O6/c1-11-5-13-14-6-17(26)15-7-18(29)16(25)8-21(15,3)23(14,27)19(30)9-22(13,4)24(11,32)20(31)10-33-12(2)28/h7-8,11,13-14,17,19,30,32H,5-6,9-10H2,1-4H3",C24H29ClF2O6,,,,,,RHQJBSYFEXTDNK-JKGZCGFNSA-N,,,,,,,,,,,
100.041.390,245-545-7,23271-74-1,Fedrilate,1-methyl-3-morpholin-4-ylpropyl 4-phenyltetrahydro-2H-pyran-4-carboxylate,CC(CCN1CCOCC1)OC(=O)C2(CCOCC2)c3ccccc3,CC(CCN1CCOCC1)OC(=O)C2(CCOCC2)c3ccccc3,"InChI=1/C20H29NO4/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18/h2-6,17H,7-16H2,1H3",C20H29NO4,,,,,,RDEOYUSTRWNWLX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.393,245-548-3,23277-00-1,(1-naphthylmethyl)triphenylphosphonium chloride,(1-naphthylmethyl)(triphenyl)phosphonium chloride,[Cl-].C(c1cccc2ccccc12)[P+](c3ccccc3)(c4ccccc4)c5ccccc5,[Cl-].C(c1cccc2ccccc12)[P+](c3ccccc3)(c4ccccc4)c5ccccc5,"InChI=1/C29H24P.ClH/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;/h1-22H,23H2;1H/q+1;/p-1",C29H24P.Cl,,,,,,MOYSMPXSEXYEJV-UHFFFAOYSA-M,,,,,,,,,,,
100.041.398,245-554-6,23283-97-8,"(1S-(1a,2ß,5beta))-5-methyl-(1-isopropyl)cyclohexan-2-ol",2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.404,245-560-9,23288-49-5,Probucol,"4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol)",CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3",C31H48O2S2,,,,,,FYPMFJGVHOHGLL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.407,245-564-0,23295-00-3,"Phenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","phenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccccc3)C1=O,[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccccc3)C1=O,"InChI=1/C16H10N2O4S/c17-18-14-10-9-12-13(16(14)19)7-4-8-15(12)23(20,21)22-11-5-2-1-3-6-11/h1-10H",C16H10N2O4S,,,,,,JNHDJPUXRUTTMT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.415,245-572-4,23307-95-1,"Ethyl 2,3-epoxy-3,7,11-trimethyldodec-10-enoate","ethyl 3-(4,8-dimethylnon-7-en-1-yl)-3-methyloxirane-2-carboxylate",CCOC(=O)C1OC1(C)CCCC(C)CCC=C(C)C,CCOC(=O)C1OC1(C)CCCC(C)CCC=C(C)C,"InChI=1/C17H30O3/c1-6-19-16(18)15-17(5,20-15)12-8-11-14(4)10-7-9-13(2)3/h9,14-15H,6-8,10-12H2,1-5H3",C17H30O3,,,,,,LSVGQYICTZOJNO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.419,245-577-1,23311-84-4,"Adipic acid, sodium salt",sodium 5-carboxypentanoate,[Na+].OC(=O)CCCCC(=O)[O-],[Na+].OC(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.Na/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-1",C6H10O4.xNa,,,,,,GOGGIOPQLKEIGC-UHFFFAOYSA-M,,,,,,,,,,,
100.041.420,245-578-7,23312-56-3,Spectinomycin sulphate,"4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one sulfate (salt)",CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O.OS(=O)(=O)O,CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O.OS(=O)(=O)O,"InChI=1/C14H24N2O7.H2O4S/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4)",C14H24N2O7.H2O4S,,,,,,XGBFWQUQYQIFLB-MTTMTQIXSA-N,,,,,,,,,,,
100.041.426,245-585-5,23327-57-3,"3,4,5,6-tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride","5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride",Cl.CN1CCOC(c2ccccc2)c3ccccc3C1,Cl.CN1CCOC(c2ccccc2)c3ccccc3C1,"InChI=1/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H",C17H19NO.ClH,,,,,,CNNVSINJDJNHQK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.429,245-588-1,23328-69-0,4-chloromorpholine,4-chloromorpholine,ClN1CCOCC1,ClN1CCOCC1,InChI=1/C4H8ClNO/c5-6-1-3-7-4-2-6/h1-4H2,C4H8ClNO,,,,,,ILNGCUVXLQVDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.779,243-774-7,20380-58-9,Tilidine,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2,"InChI=1/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3",C17H23NO2,,,,,,WDEFBBTXULIOBB-WBVHZDCISA-N,,,,,,,,,,,
100.039.780,243-775-2,20380-60-3,Ethyl cis-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride,Cl.CCOC(=O)[C@]1(CCC=C[C@H]1N(C)C)c2ccccc2,Cl.CCOC(=O)[C@]1(CCC=C[C@H]1N(C)C)c2ccccc2,"InChI=1/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H",C17H23NO2.ClH,,,,,,MUWDJVKYGSDUSH-SSPJITILSA-N,,,,,,,,,,,
100.039.781,243-776-8,20382-77-8,"(5a,6a)-7,8-didehydro-4,5-epoxy-17-(2-propynyl)morphinan-3,6-diol","17-prop-2-yn-1-yl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol",O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC#C)c45,O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC#C)c45,"InChI=1/C19H19NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h1,3-6,12-13,15,18,21-22H,7-10H2",C19H19NO3,,,,,,NGOKGGHABHVRMX-SSTWWWIQSA-N,,,,,,,,,,,
100.039.784,243-779-4,20389-01-9,"2,6-diiodo-p-benzoquinone","2,6-diiodo-1,4-benzoquinone",IC1=CC(=O)C=C(I)C1=O,IC1=CC(=O)C=C(I)C1=O,InChI=1/C6H2I2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,C6H2I2O2,,,,,,KANJSWOVFIVFDI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.792,243-788-3,20403-41-2,"Myristic acid, lead salt",-,[Pb].OC(=O)CCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCC,"InChI=1/C14H28O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2-13H2,1H3,(H,15,16);;;/q;+4;;/rC14H28O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);1H2/q;+4",C14H28O2.xPb,,,,,,XGKFXFYGFVPPFC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.801,243-798-8,20408-97-3,5-thio-D-glucose,5-thio-D-glucose,OC[C@@H](S)[C@@H](O)[C@H](O)[C@@H](O)C=O,OC[C@@H](S)[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H12O5S/c7-1-3(9)5(10)6(11)4(12)2-8/h1,3-6,8-12H,2H2",C6H12O5S,,,,,,IJJLRUSZMLMXCN-SLPGGIOYSA-N,,,,,,,,,,,
100.039.802,243-799-3,20411-47-6,1-methylheptyl chloroacetate,1-methylheptyl chloroacetate,CCCCCCC(C)OC(=O)CCl,CCCCCCC(C)OC(=O)CCl,"InChI=1/C10H19ClO2/c1-3-4-5-6-7-9(2)13-10(12)8-11/h9H,3-8H2,1-2H3",C10H19ClO2,,,,,,IJDHTIMWHATBKH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.803,243-800-7,20413-40-5,2-(dodecylsulphinyl)ethanol,2-(dodecylsulfinyl)ethanol,CCCCCCCCCCCCS(=O)CCO,CCCCCCCCCCCCS(=O)CCO,"InChI=1/C14H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-17(16)14-12-15/h15H,2-14H2,1H3",C14H30O2S,,,,,,MFWFLYVQFMEYJO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.808,243-805-4,20417-61-2,Ethyl 2-formyl-1-cyclopropanecarboxylate,ethyl 2-formylcyclopropanecarboxylate,CCOC(=O)C1CC1C=O,CCOC(=O)C1CC1C=O,"InChI=1/C7H10O3/c1-2-10-7(9)6-3-5(6)4-8/h4-6H,2-3H2,1H3",C7H10O3,,,,,,MDWXTLNIZCHBJE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.811,243-809-6,20423-99-8,Deprodone,"11,17-dihydroxypregna-1,4-diene-3,20-dione",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h6,8,10,15-18,24-25H,4-5,7,9,11H2,1-3H3",C21H28O4,,,,,,KQZSMOGWYFPKCH-UJPCIWJBSA-N,,,,,,,,,,,
100.039.812,243-810-1,20424-00-4,"11ß,17-dihydroxypregna-1,4-diene-3,20-dione 17-propionate","11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl propionate",CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)C,CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)C,"InChI=1/C24H32O5/c1-5-20(28)29-24(14(2)25)11-9-18-17-7-6-15-12-16(26)8-10-22(15,3)21(17)19(27)13-23(18,24)4/h8,10,12,17-19,21,27H,5-7,9,11,13H2,1-4H3",C24H32O5,,,,,,DRSFVGQMPYTGJY-GNSLJVCWSA-N,,,,,,,,,,,
100.039.813,243-811-7,20424-31-1,"Hexadecyl (9Z,12Z)-octadeca-9,12-dienoate","hexadecyl octadeca-9,12-dienoate",CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C34H64O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-33H2,1-2H3",C34H64O2,,,,,,MJCPRFASSBVGQD-OHNCOSGTSA-N,,,,,,,,,,,
100.043.400,247-757-5,26519-91-5,"Methylcyclopenta-1,3-diene","1-methylcyclopenta-1,3-diene",CC1=CC=CC1,CC1=CC=CC1,"InChI=1/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3",C6H8,,,,,,NFWSQSCIDYBUOU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.407,247-764-3,26535-68-2,2-[(1-methylheptyl)amino]ethanol,2-[(1-methylheptyl)amino]ethanol,CCCCCCC(C)NCCO,CCCCCCC(C)NCCO,"InChI=1/C10H23NO/c1-3-4-5-6-7-10(2)11-8-9-12/h10-12H,3-9H2,1-2H3",C10H23NO,,,,,,FTBVOJZWVWWLFB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.422,247-781-6,26544-38-7,"Dihydro-3-(tetrapropenyl)furan-2,5-dione","3-dodec-2-en-1-yldihydrofuran-2,5-dione",CCCCCCCCC\\C=C\\CC1CC(=O)OC1=O,CCCCCCCCC\C=C\CC1CC(=O)OC1=O,"InChI=1/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3",C16H26O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14775,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.422,UYCICMIUKYEYEU-ZHACJKMWSA-N,,,,,,,,,,,
100.043.063,247-385-3,25978-54-5,Spherophysine,1-(4-aminobutyl)-1-(3-methylbut-2-en-1-yl)guanidine,CC(=CCN(CCCCN)C(=N)N)C,CC(=CCN(CCCCN)C(=N)N)C,"InChI=1/C10H22N4/c1-9(2)5-8-14(10(12)13)7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13)",C10H22N4,,,,,,BNYZYAWCGAEIKT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.416,249-974-0,29956-99-8,"Bis(1,1,3,3-tetramethylbutyl) disulphide","2,2,4-trimethyl-4-[(1,1,3,3-tetramethylbutyl)disulfanyl]pentane",CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C,"InChI=1/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3",C16H34S2,,,,,,ZIMCZOLRXKPXLN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.420,249-978-2,29964-84-9,Isodecyl methacrylate,8-methylnonyl methacrylate,CC(C)CCCCCCCOC(=O)C(=C)C,CC(C)CCCCCCCOC(=O)C(=C)C,"InChI=1/C14H26O2/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4/h12H,3,5-11H2,1-2,4H3",C14H26O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14316,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.420,COCLLEMEIJQBAG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.425,249-984-5,29976-53-2,Ethyl 4-oxopiperidine-1-carboxylate,ethyl 4-oxopiperidine-1-carboxylate,CCOC(=O)N1CCC(=O)CC1,CCOC(=O)N1CCC(=O)CC1,"InChI=1/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3",C8H13NO3,,,,,,LUBGFMZTGFXIIN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.282,246-527-1,24910-84-7,"2,3-dichloropropyl acrylate","2,3-dichloropropyl acrylate",ClCC(Cl)COC(=O)C=C,ClCC(Cl)COC(=O)C=C,"InChI=1/C6H8Cl2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2",C6H8Cl2O2,,,,,,VNBVMEJAPNHJSI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.284,246-529-2,24916-90-3,"9ß,11ß-epoxy-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione","17,21-dihydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3",C22H28O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8221,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.284,GBDXNHBVYAMODG-QDBZYVRYSA-N,,,,,,,,,,,
100.042.291,246-537-6,24929-02-0,"1-amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(O)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(O)cc1S(=O)(=O)O,"InChI=1/C14H9NO6S/c15-12-9(22(19,20)21)5-8(16)10-11(12)14(18)7-4-2-1-3-6(7)13(10)17/h1-5,16H,15H2,(H,19,20,21)",C14H9NO6S,,,,,,ZGDOXWZYKDETSP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.299,246-546-5,24954-60-7,N-(4-nitrophenethyl)methanesulphonamide,N-[2-(4-nitrophenyl)ethyl]methanesulfonamide,CS(=O)(=O)NCCc1ccc(cc1)[N+](=O)[O-],CS(=O)(=O)NCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H12N2O4S/c1-16(14,15)10-7-6-8-2-4-9(5-3-8)11(12)13/h2-5,10H,6-7H2,1H3",C9H12N2O4S,,,,,,NJCUPWWIUJMALZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.302,246-549-1,24964-64-5,m-formylbenzonitrile,3-formylbenzonitrile,O=Cc1cccc(c1)C#N,O=Cc1cccc(c1)C#N,"InChI=1/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H",C8H5NO,,,,,,HGZJJKZPPMFIBU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.309,246-557-5,24998-17-2,6-[2-(5-nitro-2-furyl)vinyl]pyridazin-3-amine hydrochloride,6-[2-(5-nitro-2-furyl)vinyl]pyridazin-3-amine hydrochloride,Cl.Nc1ccc(\\C=C\\c2oc(cc2)[N+](=O)[O-])nn1,Cl.Nc1ccc(\C=C\c2oc(cc2)[N+](=O)[O-])nn1,"InChI=1/C10H8N4O3.ClH/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16;/h1-6H,(H2,11,13);1H",C10H8N4O3.xClH,,,,,,STWUHYFUAQKRBO-KSMVGCCESA-N,,,,,,,,,,,
100.042.317,246-565-9,25016-79-9,2-formylbut-2-enyl acetate,2-formylbut-2-en-1-yl acetate,CC(=O)OCC(C=O)=CC,CC(=O)OCC(C=O)=CC,"InChI=1/C7H10O3/c1-3-7(4-8)5-10-6(2)9/h3-4H,5H2,1-2H3",C7H10O3,,,,,,SPMALVQSPLOCPK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.224,248-663-7,27799-91-3,5-methoxy-1H-benzotriazole,6-methoxy-1H-benzotriazole,COc1ccc2nn[nH]c2c1,COc1ccc2nn[nH]c2c1,"InChI=1/C7H7N3O/c1-11-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",C7H7N3O,,,,,,SUPSFAUIWDRKKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.226,248-665-8,27807-84-7,4-chloro-3-oxobutyric acid,4-chloro-3-oxobutanoic acid,OC(=O)CC(=O)CCl,OC(=O)CC(=O)CCl,"InChI=1/C4H5ClO3/c5-2-3(6)1-4(7)8/h1-2H2,(H,7,8)",C4H5ClO3,,,,,,UCTNTYHJFWMUBD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.227,248-666-3,27813-02-1,"Methacrylic acid, monoester with propane-1,2-diol",2-hydroxypropyl methacrylate,CC(O)COC(=O)C(=C)C,CC(O)COC(=O)C(=C)C,"InChI=1/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3",C7H12O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14978,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.227,VHSHLMUCYSAUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.228,248-667-9,27813-21-4,"cis-4-cyclohexene-1,2-dicarboximide","4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione",O=C1NC(=O)C2=C1CCCC2,O=C1NC(=O)C2=C1CCCC2,"InChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)",C8H9NO2,,,,,,AFJWMGOTLUUGHF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.233,248-673-1,27817-67-0,3-(propylthio)propene,3-(propylsulfanyl)prop-1-ene,CCCSCC=C,CCCSCC=C,"InChI=1/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3",C6H12S,,,,,,JMLIYQJQKZYHDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.246,248-687-8,27841-04-9,"2,2-dimethylpropane-1,3-diyl bisheptanoate","2,2-dimethylpropane-1,3-diyl diheptanoate",CCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCC,CCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCC,"InChI=1/C19H36O4/c1-5-7-9-11-13-17(20)22-15-19(3,4)16-23-18(21)14-12-10-8-6-2/h5-16H2,1-4H3",C19H36O4,,,,,,NRTKYSGFUISGRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.249,248-690-4,27847-83-2,2-hydroxy-4-methoxy-2'-methylbenzophenone,(2-hydroxy-4-methoxyphenyl)(2-methylphenyl)methanone,COc1ccc(C(=O)c2ccccc2C)c(O)c1,COc1ccc(C(=O)c2ccccc2C)c(O)c1,"InChI=1/C15H14O3/c1-10-5-3-4-6-12(10)15(17)13-8-7-11(18-2)9-14(13)16/h3-9,16H,1-2H3",C15H14O3,,,,,,TVTDRMGBCRLHSY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.771,243-765-8,20364-09-4,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide",CCC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c(c1)C(C)(C)CC,"InChI=1/C25H33Cl2NO3/c1-8-24(4,5)16-10-11-20(17(12-16)25(6,7)9-2)31-14-21(29)28-19-13-18(26)15(3)22(27)23(19)30/h10-13,30H,8-9,14H2,1-7H3,(H,28,29)",C25H33Cl2NO3,,,,,,RGIVHZWXUHEZIP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.772,243-766-3,20367-32-2,N-(4-propoxyphenyl)acetamide,N-(4-propoxyphenyl)acetamide,CCCOc1ccc(NC(=O)C)cc1,CCCOc1ccc(NC(=O)C)cc1,"InChI=1/C11H15NO2/c1-3-8-14-11-6-4-10(5-7-11)12-9(2)13/h4-7H,3,8H2,1-2H3,(H,12,13)",C11H15NO2,,,,,,WDRXFPOGKSGHFM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.789,243-785-7,20395-57-7,Chlorotri[2H3]methylsilane,chloro(trimethyl)silane,C[Si](C)(C)Cl,C[Si](C)(C)Cl,"InChI=1/C3H9ClSi/c1-5(2,3)4/h1-3H3",C3ClD9Si,,,,,,IJOOHPMOJXWVHK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.807,243-804-9,20416-14-2,Ethyl 5-benzyl-3-furoate,ethyl 5-benzyl-3-furoate,CCOC(=O)c1coc(Cc2ccccc2)c1,CCOC(=O)c1coc(Cc2ccccc2)c1,"InChI=1/C14H14O3/c1-2-16-14(15)12-9-13(17-10-12)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3",C14H14O3,,,,,,XEMLEMIOCGLVMR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.814,243-812-2,20425-54-1,"(R)-3,7-dimethyloct-6-enyl acetate","3,7-dimethyloct-6-en-1-yl acetate",C[C@@H](CCOC(=O)C)CCC=C(C)C,C[C@@H](CCOC(=O)C)CCC=C(C)C,"InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",C12H22O2,,,,,,JOZKFWLRHCDGJA-LLVKDONJSA-N,,,,,,,,,,,
100.043.399,247-755-4,26513-18-8,"4,6-bis(2,3-epoxypropoxy)-2-ethoxy-1,3,5-triazine","2-ethoxy-4,6-bis(oxiran-2-ylmethoxy)-1,3,5-triazine",CCOc1nc(OCC2CO2)nc(OCC3CO3)n1,CCOc1nc(OCC2CO2)nc(OCC3CO3)n1,"InChI=1/C11H15N3O5/c1-2-15-9-12-10(18-5-7-3-16-7)14-11(13-9)19-6-8-4-17-8/h7-8H,2-6H2,1H3",C11H15N3O5,,,,,,MABUNFPSJVOXHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.404,247-761-7,26530-20-1,2-octyl-2H-isothiazol-3-one,2-octylisothiazol-3(2H)-one,CCCCCCCCN1SC=CC1=O,CCCCCCCCN1SC=CC1=O,"InChI=1/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3",C11H19NOS,,,,,,JPMIIZHYYWMHDT-UHFFFAOYSA-N,Positive,SM821001;EA030001|EA030002|EA030003|EA030004|EA030005|EA030006|EA030007|EA030008|EA030009|EA030010|EA030011|EA030012|EA030013|EA030014,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,102.0009:214.1261:71.0856;102.0008:71.0855|214.126:102.0009:71.0853|214.1261:102.0008:71.0855|102.0007:71.0855:57.0698|102.0008:57.0698:71.0855|102.0008:57.0698:71.0854|102.0008:57.0698:83.9904|214.1261:102.0008:71.0854|214.1261:102.0008:71.0855|102.0008:214.1259:71.0855|102.0008:57.0698:71.0855|102.0008:57.0698:71.0855|102.0008:57.0698:83.9903|102.0008:71.0855,CASMI_2016;Eawag,,,,,
100.043.406,247-763-8,26533-36-8,Nonadecan-2-ol,nonadecan-2-ol,CCCCCCCCCCCCCCCCCC(C)O,CCCCCCCCCCCCCCCCCC(C)O,"InChI=1/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h19-20H,3-18H2,1-2H3",C19H40O,,,,,,QXYWIOWTBOREMG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.408,247-765-9,26536-12-9,"Propane-1,2,3-triyl tridecanoate","propane-1,2,3-triyl tridecanoate",CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC,"InChI=1/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3",C42H80O6,,,,,,LADGBHLMCUINGV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.411,247-769-0,26538-44-3,Zeranol,"7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one",C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,"InChI=1/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3",C18H26O5,,,,,,DWTTZBARDOXEAM-GXTWGEPZSA-N,,,,,,,,,,,
100.043.416,247-774-8,26544-17-2,Diisooctyl azelate,bis(6-methylheptyl) azelaate,CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C,"InChI=1/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3",C25H48O4,,,,,,CYNJQGPDCDNZBL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.423,247-782-1,26545-48-2,"2-methylpentane-2,4-diol, ester with orthoboric acid (3:2)","2,2'-[(2-methylpentane-2,4-diyl)bis(oxy)]bis(4,4,6-trimethyl-1,3,2-dioxaborinane)",CC(CC(C)(C)OB1OC(C)CC(C)(C)O1)OB2OC(C)CC(C)(C)O2,CC(CC(C)(C)OB1OC(C)CC(C)(C)O1)OB2OC(C)CC(C)(C)O2,"InChI=1/C18H36B2O6/c1-13-10-16(4,5)24-19(21-13)22-14(2)11-17(6,7)25-20-23-15(3)12-18(8,9)26-20/h13-15H,10-12H2,1-9H3",C18H40B2O8,,,,,,QXMQBCRKITYLGR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.426,247-785-8,26545-58-4,Disodium methylenebisnaphthalenesulphonate,"disodium 2,2'-methylenedinaphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14,[Na+].[Na+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14,"InChI=1/C21H16O6S2.2Na/c22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27;;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C21H16O6S2.2Na,,,,,,DWHOIYXAMUMQTI-UHFFFAOYSA-L,,,,,,,,,,,
100.043.429,247-788-4,26545-74-4,"(9Z,12Z)-octadeca-9,12-dienoic acid, monoester with glycerol","2,3-dihydroxypropyl octadeca-9,12-dienoate",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO,CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3",C21H38O4,,,,,,WECGLUPZRHILCT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.432,247-792-6,26547-09-1,"Undecane-1,6,11-triamine","undecane-1,6,11-triamine",NCCCCCC(N)CCCCCN,NCCCCCC(N)CCCCCN,"InChI=1/C11H27N3/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h11H,1-10,12-14H2",C11H27N3,,,,,,DQWFTGPZPKZMAB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.430,245-589-7,23328-87-2,2-heptadecyl-1H-imidazole,2-heptadecyl-1H-imidazole,CCCCCCCCCCCCCCCCCc1ncc[nH]1,CCCCCCCCCCCCCCCCCc1ncc[nH]1,"InChI=1/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h18-19H,2-17H2,1H3,(H,21,22)",C20H38N2,,,,,,YTWBFUCJVWKCCK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.432,245-591-8,23335-74-2,Iron oleate,iron(2+) dioctadec-9-enoate,[Fe].OC(=O)CCCCCCC/C=C\\CCCCCCCC,[Fe].OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1/C18H34O2.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+2",C18H34O2.xFe,,,,,,DEVYBOZJYUYBMC-KVVVOXFISA-N,,,,,,,,,,,
100.044.890,249-394-8,29059-07-2,"3,4-dihydronaphthalen-1-one","3,4-dihydronaphthalen-1(2H)-one",O=C1CCCc2ccccc12,O=C1CCCc2ccccc12,"InChI=1/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2",C10H10O,,,,,,XHLHPRDBBAGVEG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.897,249-403-5,29062-27-9,Lithium dodecylbenzenesulphonate,lithium 2-dodecylbenzenesulfonate,[Li+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[Li+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C18H30O3S.Li/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1",C18H30O3S.Li,,,,,,IRDCEJVOXCGYAV-UHFFFAOYSA-M,,,,,,,,,,,
100.044.900,249-406-1,29063-58-9,Sucrose pentapalmitate,"3,4-di-O-palmitoyl-beta-D-fructofuranosyl 2,3,4-tri-O-palmitoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C92H172O16/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-81(96)102-86-79(76-93)101-91(89(105-84(99)74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)88(86)104-83(98)73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)108-92(78-95)90(106-85(100)75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)87(80(77-94)107-92)103-82(97)72-67-62-57-52-47-42-37-32-27-22-17-12-7-2/h79-80,86-91,93-95H,6-78H2,1-5H3",C92H172O16,,,,,,PYHKLWBGVNGBLC-WXKSACGSSA-N,,,,,,,,,,,
100.044.902,249-408-2,29063-61-4,Sucrose trimyristate,"3-O-tetradecanoyl-beta-D-fructofuranosyl 2,3-di-O-tetradecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,"InChI=1/C54H100O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-45(58)64-50-48(61)43(40-55)63-53(51(50)65-46(59)38-35-32-29-26-23-20-17-14-11-8-5-2)68-54(42-57)52(49(62)44(41-56)67-54)66-47(60)39-36-33-30-27-24-21-18-15-12-9-6-3/h43-44,48-53,55-57,61-62H,4-42H2,1-3H3",C54H100O14,,,,,,YMKZDBVJBMTUID-BGIWEYCFSA-N,,,,,,,,,,,
100.044.909,249-416-6,29084-76-2,"2,4-dichloroanilinium chloride","2,4-dichloroanilinium chloride",[Cl-].[NH3+]c1ccc(Cl)cc1Cl,[Cl-].[NH3+]c1ccc(Cl)cc1Cl,"InChI=1/C6H5Cl2N.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H",C6H5Cl2N.ClH,,,,,,IAWHNGSIQZYZQB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.914,249-421-3,29091-21-2,"2,4-dinitro-N',N'-dipropyl-6-(trifluoromethyl)benzene-1,3-diamine","2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine",CCCN(CCC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCCN(CCC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3",C13H17F3N4O4,,,,,,RSVPPPHXAASNOL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.916,249-423-4,29092-34-0,3-amino-4-chlorobenzenesulphonamide,3-amino-4-chlorobenzenesulfonamide,Nc1cc(ccc1Cl)S(=O)(=O)N,Nc1cc(ccc1Cl)S(=O)(=O)N,"InChI=1/C6H7ClN2O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,8H2,(H2,9,10,11)",C6H7ClN2O2S,,,,,,OIWCPLBCWJUCMR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.918,249-426-0,29094-03-9,Bismuth acetate,bismuth(3+) triacetate,[BiH3+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[BiH3+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Bi.3H/c3*1-2(3)4;;;;/h3*1H3,(H,3,4);;;;/q;;;+3;;;/p-3/r3C2H4O2.BiH3/c3*1-2(3)4;/h3*1H3,(H,3,4);1H3/q;;;+3/p-3",C2H4O2.xBi,,,,,,QZBZIDHBPJUOPQ-UHFFFAOYSA-K,,,,,,,,,,,
100.044.923,249-431-8,29096-93-3,"2,5-dibromo-3-isopropyl-6-methylbenzoquinone","2,5-dibromo-3-isopropyl-6-methyl-1,4-benzoquinone",CC(C)C1=C(Br)C(=O)C(=C(Br)C1=O)C,CC(C)C1=C(Br)C(=O)C(=C(Br)C1=O)C,"InChI=1/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3",C10H10Br2O2,,,,,,GHHZELQYJPWSMG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.021,250-640-1,31454-48-5,Tetrabromocyclooctane,"1,1,2,2-tetrabromocyclooctane",BrC1(Br)CCCCCCC1(Br)Br,BrC1(Br)CCCCCCC1(Br)Br,"InChI=1/C8H12Br4/c9-7(10)5-3-1-2-4-6-8(7,11)12/h1-6H2",C8H12Br4,,,,,,QNXYKDOPJCQMGV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.022,250-641-7,31462-59-6,Pyrimidine-4-carboxylic acid,pyrimidine-4-carboxylic acid,OC(=O)c1ccncn1,OC(=O)c1ccncn1,"InChI=1/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)",C5H4N2O2,,,,,,YPOXGDJGKBXRFP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.025,250-644-3,31465-36-8,4-(4-methoxyphenoxy)aniline,4-(4-methoxyphenoxy)aniline,COc1ccc(Oc2ccc(N)cc2)cc1,COc1ccc(Oc2ccc(N)cc2)cc1,"InChI=1/C13H13NO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,14H2,1H3",C13H13NO2,,,,,,VTYZDTAGEMAJMM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.065,247-387-4,25981-83-3,"5-chloro-2,3,3-trimethyl-3H-indole","5-chloro-2,3,3-trimethyl-3H-indole",CC1=Nc2ccc(Cl)cc2C1(C)C,CC1=Nc2ccc(Cl)cc2C1(C)C,"InChI=1/C11H12ClN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3",C11H12ClN,,,,,,GSKATGIMEUGNJN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.073,247-396-3,25990-94-7,"2,5,8,11,14,17,20,23,26-nonaoxaheptacosane","2,5,8,11,14,17,20,23,26-nonaoxaheptacosane",COCCOCCOCCOCCOCCOCCOCCOCCOC,COCCOCCOCCOCCOCCOCCOCCOCCOC,"InChI=1/C18H38O9/c1-19-3-5-21-7-9-23-11-13-25-15-17-27-18-16-26-14-12-24-10-8-22-6-4-20-2/h3-18H2,1-2H3",C18H38O9,,,,,,HKKZPBCWTDFVFB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.074,247-397-9,25991-27-9,Methyl 2-oxo-2H-pyran-3-carboxylate,methyl 2-oxo-2H-pyran-3-carboxylate,COC(=O)C1=CC=COC1=O,COC(=O)C1=CC=COC1=O,"InChI=1/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3",C7H6O4,,,,,,GJVZWOMUTYNUCE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.076,247-400-3,25999-20-6,"Benzoic acid, 6-[7-[5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methyl-, monosodium salt, [2R-[2a[2S*(3R*,4S*,5S*,7R*),3S*,5S*],5a,6ß]]-","sodium 1,4:5,9-dianhydro-1-[7-(2-carboxylato-3-hydroxy-4-methylphenyl)-1-ethyl-4-hydroxy-3,5-dimethyl-2-oxoheptyl]-2,3,6,7-tetradeoxy-4-ethyl-8-C-ethyl-2,9-dimethylnonitol",CCC(C1OC(CC)(CC1C)C2CCC(O)(CC)C(C)O2)C(=O)C(C)C(O)C(C)CCc3ccc(C)c(O)c3C(=O)O[Na],CCC(C1OC(CC)(CC1C)C2CCC(O)(CC)C(C)O2)C(=O)C(C)C(O)C(C)CCc3ccc(C)c(O)c3C(=O)O[Na],"InChI=1/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1",C34H54O8.Na,,,,,,RDHDUYAKDYQPEW-UHFFFAOYSA-M,,,,,,,,,,,
100.043.080,247-405-0,26005-41-4,"trans-1-ethynyl-2,2,6-trimethylcyclohexan-1-ol","1-ethynyl-2,2,6-trimethylcyclohexanol",C[C@@H]1CCCC(C)(C)[C@]1(O)C#C,C[C@@H]1CCCC(C)(C)[C@]1(O)C#C,"InChI=1/C11H18O/c1-5-11(12)9(2)7-6-8-10(11,3)4/h1,9,12H,6-8H2,2-4H3",C11H18O,,,,,,PQQOQXUYGRGYEK-KOLCDFICSA-N,,,,,,,,,,,
100.043.083,247-408-7,26016-98-8,Calcium hydrogen (2R-cis)-(3-methyloxiranyl)phosphonate,"[(3-methyloxiran-2-yl)phosphonato(2-)-kappa~2~O,O']calcium",CC1OC1P2(=O)O[Ca]O2,CC1OC1P2(=O)O[Ca]O2,"InChI=1/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/rC3H5CaO4P/c1-2-3(6-2)9(5)7-4-8-9/h2-3H,1H3",C3H7O4P.Ca,,,,,,YMZJBJPWTXJQMR-UHFFFAOYSA-L,,,,,,,,,,,
100.040.184,244-219-1,21116-11-0,Sodium 2-[p-[[4-[(p-hydroxyphenyl)azo]-o-tolyl]azo]phenoxy]ethyl sulphate,sodium 2-[4-({4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl}diazenyl)phenoxy]ethyl sulfate,[Na+].Oc1ccc(cc1)N=Nc3ccc(N=Nc2ccc(OCCOS([O-])(=O)=O)cc2)c(C)c3,[Na+].Oc1ccc(cc1)N=Nc3ccc(N=Nc2ccc(OCCOS([O-])(=O)=O)cc2)c(C)c3,"InChI=1/C21H20N4O6S.Na/c1-15-14-18(24-22-16-2-7-19(26)8-3-16)6-11-21(15)25-23-17-4-9-20(10-5-17)30-12-13-31-32(27,28)29;/h2-11,14,26H,12-13H2,1H3,(H,27,28,29);/q;+1/p-1",C21H20N4O6S.Na,,,,,,PNNSBILZHIFIEK-UHFFFAOYSA-M,,,,,,,,,,,
100.040.188,244-223-3,21124-13-0,1-methyl-3-p-tolyltriazene,1-methyl-3-(4-methylphenyl)triaz-1-ene,Cc1ccc(NN=NC)cc1,Cc1ccc(NN=NC)cc1,"InChI=1/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)",C8H11N3,,,,,,DNGJVDGPCGXBFF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.193,244-229-6,21129-18-0,Manganese dipropionate,manganese(2+) dipropanoate,[Mn+2].CCC(=O)[O-].CCC(=O)[O-],[Mn+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Mn/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.1/2Mn,,,,,,ZGIHUCQOMWIMKH-UHFFFAOYSA-L,,,,,,,,,,,
100.040.195,244-231-7,21132-30-9,"1,3-bis(pentafluorophenyl)urea","1,3-bis(pentafluorophenyl)urea",Fc1c(F)c(F)c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F,Fc1c(F)c(F)c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F,"InChI=1/C13H2F10N2O/c14-1-3(16)7(20)11(8(21)4(1)17)24-13(26)25-12-9(22)5(18)2(15)6(19)10(12)23/h(H2,24,25,26)",C13H2F10N2O,,,,,,JXOIMJFRROBTTE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.198,244-234-3,21133-53-9,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-1-(ß-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone,"3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl beta-D-glucopyranoside",C[C@@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)c5c(O)cc(C)cc5C(=O)c4c2)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)c5c(O)cc(C)cc5C(=O)c4c2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C27H30O14/c1-8-3-11-16(13(29)4-8)21(33)17-12(19(11)31)5-10(39-26-24(36)22(34)18(30)9(2)38-26)6-14(17)40-27-25(37)23(35)20(32)15(7-28)41-27/h3-6,9,15,18,20,22-30,32,34-37H,7H2,1-2H3",C27H30O14,,,,,,GPSQZOFVCVOOIE-QWVHOXPHSA-N,,,,,,,,,,,
100.040.206,244-243-2,21150-12-9,3-methoxyphenylglycolic acid,hydroxy(3-methoxyphenyl)acetic acid,COc1cccc(c1)C(O)C(=O)O,COc1cccc(c1)C(O)C(=O)O,"InChI=1/C9H10O4/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)",C9H10O4,,,,,,YTRUJRPALUALSN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.211,244-249-5,21155-53-3,"2,6-di-sec-butyl-aniline","2,6-di-sec-butylaniline",CCC(C)c1cccc(C(C)CC)c1N,CCC(C)c1cccc(C(C)CC)c1N,"InChI=1/C14H23N/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11H,5-6,15H2,1-4H3",C14H23N,,,,,,GCTRPALYLKYZIR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.500,250-066-1,30132-47-9,"1-butyl-5-[3-(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxonicotinonitrile","1-butyl-5-[3-(1-butyl-5-cyano-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)prop-1-en-1-yl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CCCCN1C(=C(C=CC=C2C(=C(C#N)C(=O)N(CCCC)C2=O)C)C(=C(C#N)C1=O)C)O,CCCCN1C(=C(C=CC=C2C(=C(C#N)C(=O)N(CCCC)C2=O)C)C(=C(C#N)C1=O)C)O,"InChI=1/C25H28N4O4/c1-5-7-12-28-22(30)18(16(3)20(14-26)24(28)32)10-9-11-19-17(4)21(15-27)25(33)29(23(19)31)13-8-6-2/h9-11,30H,5-8,12-13H2,1-4H3",C25H28N4O4,,,,,,BTXMQQSMQACNGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.505,250-071-9,30145-40-5,Potassium p-hydroxybenzenesulphonate,potassium 4-hydroxybenzenesulfonate,[K+].Oc1ccc(cc1)S(=O)(=O)[O-],[K+].Oc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H6O4S.K/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1",C6H6O4S.K,,,,,,VMNZSPZHEZLXCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.509,250-076-6,30165-79-8,"Methyl N-[4-(2,2-dicyanovinyl)-m-tolyl]-N-phenethyl-ß-alaninate","methyl N-[4-(2,2-dicyanovinyl)-3-methylphenyl]-N-(2-phenylethyl)-beta-alaninate",COC(=O)CCN(CCc1ccccc1)c2ccc(C=C(C#N)C#N)c(C)c2,COC(=O)CCN(CCc1ccccc1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C23H23N3O2/c1-18-14-22(9-8-21(18)15-20(16-24)17-25)26(13-11-23(27)28-2)12-10-19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3",C23H23N3O2,,,,,,CKVFZBMKRBUULD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.514,250-081-3,30174-58-4,tert-decanethiol,decane-1-thiol,CCCCCCCCCCS,CCCCCCCCCCS,"InChI=1/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",C10H22S,,,,,,VTXVGVNLYGSIAR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.516,250-083-4,30179-51-2,Ethylnitrobenzene,1-ethyl-2-nitrobenzene,CCc1ccccc1[N+](=O)[O-],CCc1ccccc1[N+](=O)[O-],"InChI=1/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3",C8H9NO2,,,,,,PXWYZLWEKCMTEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.517,250-085-5,30185-68-3,Threo-(±)-3-amino-2-phenylbutan-2-ol,3-amino-2-phenylbutan-2-ol,CC(N)C(C)(O)c1ccccc1,CC(N)C(C)(O)c1ccccc1,"InChI=1/C10H15NO/c1-8(11)10(2,12)9-6-4-3-5-7-9/h3-8,12H,11H2,1-2H3",C10H15NO,,,,,,XWXGOKGZVMEGGA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.980,245-095-1,22572-40-3,[3-[(ethylimidocarbonyl)amino]propyl]trimethylammonium iodide,"3-{[(ethylimino)methylene]amino}-N,N,N-trimethylpropan-1-aminium",CCN=C=NCCC[N+](C)(C)C,CCN=C=NCCC[N+](C)(C)C,"InChI=1/C9H20N3/c1-5-10-9-11-7-6-8-12(2,3)4/h5-8H2,1-4H3/q+1",C9H20N3.I,,,,,,JHMDMCSGQQLHNA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.983,245-098-8,22578-86-5,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(ethyl)amino]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC#N)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC#N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H20BrN7O6/c1-4-26(7-5-6-22)17-10-15(23-12(2)29)16(11-19(17)34-3)24-25-20-14(21)8-13(27(30)31)9-18(20)28(32)33/h8-11H,4-5,7H2,1-3H3,(H,23,29)",C20H20BrN7O6,,,,,,CFCALFPBVJLIHA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.984,245-099-3,22578-94-5,"N,N'-(1,4-phenylenedicarbonyl)diglycine","2,2'-[1,4-phenylenebis(carbonylimino)]diacetic acid (non-preferred name)",OC(=O)CNC(=O)c1ccc(cc1)C(=O)NCC(=O)O,OC(=O)CNC(=O)c1ccc(cc1)C(=O)NCC(=O)O,"InChI=1/C12H12N2O6/c15-9(16)5-13-11(19)7-1-2-8(4-3-7)12(20)14-6-10(17)18/h1-4H,5-6H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)",C12H12N2O6,,,,,,SNKLTOILIHVGIH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.985,245-100-7,22580-55-8,"Hydrogen tribromide, compound with pyrrolidin-2-one (1:3)","hydrogen tribromide, compound with pyrrolidin-2-one (1:3)",[Br-].[Br-].[Br-].O=C1CCCN1.O=C2CCCN2.O=C3CCCN3,[Br-].[Br-].[Br-].O=C1CCCN1.O=C2CCCN2.O=C3CCCN3,"InChI=1/3C4H7NO.3BrH/c3*6-4-2-1-3-5-4;;;/h3*1-3H2,(H,5,6);3*1H/p-3",C4H7NO.1/3Br3H,,,,,,MXPLLXSTGMAGMX-UHFFFAOYSA-K,,,,,,,,,,,
100.040.991,245-107-5,22583-75-1,(2H10)benzophenone,benzophenone,O=C(c1ccccc1)c2ccccc2,O=C(c1ccccc1)c2ccccc2,InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C13D10O,,,,,,RWCCWEUUXYIKHB-UHFFFAOYSA-N,Positive,UA001501|UA001503,[M+H]+,CID35|CID35,105.0334:183.0805:77.0386|105.0335:183.0806:77.0386,UFZ_Additional_Specs,,,,,
100.040.993,245-109-6,22584-31-2,3-[(2-aminoethyl)amino]propiononitrile,3-[(2-aminoethyl)amino]propanenitrile,NCCNCCC#N,NCCNCCC#N,"InChI=1/C5H11N3/c6-2-1-4-8-5-3-7/h8H,1,3-5,7H2",C5H11N3,,,,,,NSQSYCXRUVZPKI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.625,246-904-0,25371-54-4,Dimethyl octadecylphosphonate,dimethyl octadecylphosphonate,CCCCCCCCCCCCCCCCCCP(=O)(OC)OC,CCCCCCCCCCCCCCCCCCP(=O)(OC)OC,"InChI=1/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3",C20H43O3P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10087,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.625,FPYLHOQPWCQAIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.628,246-907-7,25374-10-1,"1-chloro-N,N,N',N'-tetramethyl-1-phenylsilanediamine","1-chloro-N,N,N',N'-tetramethyl-1-phenylsilanediamine",CN(C)[Si](Cl)(N(C)C)c1ccccc1,CN(C)[Si](Cl)(N(C)C)c1ccccc1,"InChI=1/C10H17ClN2Si/c1-12(2)14(11,13(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3",C10H17ClN2Si,,,,,,JNVKCQAGHOQPFY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.636,246-916-6,25377-72-4,Pentene,pent-1-ene,CCCC=C,CCCC=C,"InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3",C5H10,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1812,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.636,YWAKXRMUMFPDSH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.437,247-797-3,26553-34-4,"(R)-phenyl[[(2,2,2-trichloroethoxy)carbonyl]amino]acetic acid","phenyl{[(2,2,2-trichloroethoxy)carbonyl]amino}acetic acid",OC(=O)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1,OC(=O)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1,"InChI=1/C11H10Cl3NO4/c12-11(13,14)6-19-10(18)15-8(9(16)17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)",C11H10Cl3NO4,,,,,,LROKCBKQEZCUKI-MRVPVSSYSA-N,,,,,,,,,,,
100.043.071,247-394-2,25986-44-1,N-[2-[[2-bromo-6-(methylsulphonyl)-4-nitrophenyl]azo]-5-(diethylamino)phenyl]acetamide,N-[2-{[2-bromo-6-(methylsulfonyl)-4-nitrophenyl]diazenyl}-5-(diethylamino)phenyl]acetamide,Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)S(C)(=O)=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)S(C)(=O)=O)[N+]([O-])=O,"InChI=1/C19H22BrN5O5S/c1-5-24(6-2)13-7-8-16(17(10-13)21-12(3)26)22-23-19-15(20)9-14(25(27)28)11-18(19)31(4,29)30/h7-11H,5-6H2,1-4H3,(H,21,26)",C19H22BrN5O5S,,,,,,GHZNIHNOUZAYQX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.078,247-402-4,26001-38-7,"7,8-dihydro-8-thioxoguanosine",8-thioxoguanosine,NC1=NC2=C(NC(=S)N2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1,NC1=NC2=C(NC(=S)N2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1,"InChI=1/C10H13N5O5S/c11-9-13-6-3(7(19)14-9)12-10(21)15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H,12,21)(H3,11,13,14,19)",C10H13N5O5S,,,,,,KZELNMSPWPFAEB-UMMCILCDSA-N,,,,,,,,,,,
100.043.081,247-406-6,26011-65-4,"8,9,10,11-tetrabromo-12H-phthaloperin-12-one","8,9,10,11-tetrabromo-12H-isoindolo[2,1-a]perimidin-12-one",Brc1c(Br)c(Br)c2C3=Nc4cccc5cccc(N3C(=O)c2c1Br)c45,Brc1c(Br)c(Br)c2C3=Nc4cccc5cccc(N3C(=O)c2c1Br)c45,InChI=1/C18H6Br4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H,C18H6Br4N2O,,,,,,OHTFRFYHAZBZIK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.085,247-410-8,26019-17-0,"N,N-dimethyl(2-thienylmethyl)amine","N,N-dimethyl-1-(2-thienyl)methanamine",CN(C)Cc1cccs1,CN(C)Cc1cccs1,"InChI=1/C7H11NS/c1-8(2)6-7-4-3-5-9-7/h3-5H,6H2,1-2H3",C7H11NS,,,,,,DJQUVKALZASWTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.090,247-416-0,26021-89-6,2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulphate,"2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.N#CCCN(CCCC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]S(=O)(=O)OC.N#CCCN(CCCC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C22H26N5OS.CH4O4S/c1-4-5-14-27(15-6-13-23)18-9-7-17(8-10-18)24-25-22-26(2)20-12-11-19(28-3)16-21(20)29-22;1-5-6(2,3)4/h7-12,16H,4-6,14-15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C22H26N5OS.CH3O4S,,,,,,BZNHGBSVURHYCR-UHFFFAOYSA-M,,,,,,,,,,,
100.043.098,247-424-4,26039-74-7,Diethyl (3-chloro-4-nitrophenyl)methylmalonate,diethyl (3-chloro-4-nitrophenyl)(methyl)malonate,CCOC(=O)C(C)(C(=O)OCC)c1ccc(c(Cl)c1)[N+](=O)[O-],CCOC(=O)C(C)(C(=O)OCC)c1ccc(c(Cl)c1)[N+](=O)[O-],"InChI=1/C14H16ClNO6/c1-4-21-12(17)14(3,13(18)22-5-2)9-6-7-11(16(19)20)10(15)8-9/h6-8H,4-5H2,1-3H3",C14H16ClNO6,,,,,,UCPDPMHNVNYSTI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.189,244-224-9,21124-33-4,Ammonium diethyldithiocarbamate,ammonium diethyldithiocarbamate,[NH4+].CCN(CC)C(=S)[S-],[NH4+].CCN(CC)C(=S)[S-],"InChI=1/C5H11NS2.H3N/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);1H3",C5H11NS2.H3N,,,,,,JSYCNFYVINPILE-UHFFFAOYSA-N,,,,,,,,,,,
100.040.190,244-225-4,21124-40-3,a-(2-thienyl)glycine,amino(2-thienyl)acetic acid,NC(C(=O)O)c1cccs1,NC(C(=O)O)c1cccs1,"InChI=1/C6H7NO2S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)",C6H7NO2S,,,,,,XLMSKXASROPJNG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.197,244-233-8,21132-81-0,"2,6-bis(o-isocyanatobenzyl)phenyl isocyanate","2-isocyanato-1,3-bis(2-isocyanatobenzyl)benzene",O=C=N/c3ccccc3Cc2cccc(Cc1ccccc1/N=C=O)c2\\N=C=O,O=C=N/c3ccccc3Cc2cccc(Cc1ccccc1/N=C=O)c2\N=C=O,"InChI=1/C23H15N3O3/c27-14-24-21-10-3-1-6-17(21)12-19-8-5-9-20(23(19)26-16-29)13-18-7-2-4-11-22(18)25-15-28/h1-11H,12-13H2",C23H15N3O3,,,,,,BNOSAGKHYAMZGF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.201,244-238-5,21142-28-9,(2-hydroxypropyl)ammonium decyl sulphate,2-hydroxypropan-1-aminium decyl sulfate,CCCCCCCCCCOS(=O)(=O)[O-].CC(O)C[NH3+],CCCCCCCCCCOS(=O)(=O)[O-].CC(O)C[NH3+],"InChI=1/C10H22O4S.C3H9NO/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-3(5)2-4/h2-10H2,1H3,(H,11,12,13);3,5H,2,4H2,1H3",C12H26O4S.C3H9NO,,,,,,GDYMYAPCYPQZHA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.202,244-239-0,21142-29-0,3-(triethoxysilyl)propyl methacrylate,3-(triethoxysilyl)propyl methacrylate,CCO[Si](CCCOC(=O)C(=C)C)(OCC)OCC,CCO[Si](CCCOC(=O)C(=C)C)(OCC)OCC,"InChI=1/C13H26O5Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(14)12(4)5/h4,6-11H2,1-3,5H3",C13H26O5Si,,,,,,URDOJQUSEUXVRP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.027,250-646-4,31472-83-0,Tetrachloro(tetrachlorophenyl)benzene,"2,2',3,3',4,4',5,5'-octachlorobiphenyl",Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl,Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl,InChI=1/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H,C12H2Cl8,,,,,,DTMRKGRREZAYAP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.040,250-661-6,31501-11-8,(Z)-hex-3-enyl hexanoate,hex-3-en-1-yl hexanoate,CCCCCC(=O)OCC\\C=C/CC,CCCCCC(=O)OCC\C=C/CC,"InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3",C12H22O2,,,,,,RGACQXBDYBCJCY-ALCCZGGFSA-N,,,,,,,,,,,
100.046.047,250-668-4,31511-11-2,"(Z)-prop-1-ene-1,2,3-tricarboxylic cyclic anhydride","(2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid",OC(=O)CC1=CC(=O)OC1=O,OC(=O)CC1=CC(=O)OC1=O,"InChI=1/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h2H,1H2,(H,7,8)",C6H4O5,,,,,,GVJRTUUUJYMTNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.049,250-671-0,31511-31-6,"3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tetrakis(2-hydroxyethyl) ether","5,7-bis(2-hydroxyethoxy)-2-methyl-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside",CC1OC(OCC2OC(OC3=C(C)Oc4cc(OCCO)cc(OCCO)c4C3=O)C(O)C(O)C2O)C(O)C(O)C1O,CC1OC(OCC2OC(OC3=C(C)Oc4cc(OCCO)cc(OCCO)c4C3=O)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C26H36O16/c1-10-17(29)20(32)22(34)25(40-10)38-9-15-18(30)21(33)23(35)26(41-15)42-24-11(2)39-14-8-12(36-5-3-27)7-13(37-6-4-28)16(14)19(24)31/h7-8,10,15,17-18,20-23,25-30,32-35H,3-6,9H2,1-2H3",C35H46O20,,,,,,ONGZURZRNLPNQE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.774,245-967-1,23981-47-7,6-methoxynaphthalene-2-acetic acid,(6-methoxy-2-naphthyl)acetic acid,COc1ccc2cc(CC(=O)O)ccc2c1,COc1ccc2cc(CC(=O)O)ccc2c1,"InChI=1/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)",C13H12O3,,,,,,PHJFLPMVEFKEPL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.783,245-977-6,23999-02-2,Ethyl 2-[2-(diethylamino)ethyl]acetoacetate,ethyl 2-[2-(diethylamino)ethyl]-3-oxobutanoate,CCOC(=O)C(CCN(CC)CC)C(=O)C,CCOC(=O)C(CCN(CC)CC)C(=O)C,"InChI=1/C12H23NO3/c1-5-13(6-2)9-8-11(10(4)14)12(15)16-7-3/h11H,5-9H2,1-4H3",C12H23NO3,,,,,,ZQQHBSPNJHQAKU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.785,245-979-7,24012-01-9,"Barbituric acid, sodium salt","sodium 2,4,6-trioxotetrahydro-2H-pyrimidin-1-ide",[Na]N1C(=O)CC(=O)NC1=O,[Na]N1C(=O)CC(=O)NC1=O,"InChI=1/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);/q;+1/p-1/rC4H3N2NaO3/c7-6-3(9)1-2(8)5-4(6)10/h1H2,(H,5,8,10)",C4H4N2O3.xNa,,,,,,MHQHHBYRYFICDV-UHFFFAOYSA-M,,,,,,,,,,,
100.041.796,245-991-2,24027-10-9,3-pentyloxypyridine,3-(pentyloxy)pyridine,CCCCCOc1cccnc1,CCCCCOc1cccnc1,"InChI=1/C10H15NO/c1-2-3-4-8-12-10-6-5-7-11-9-10/h5-7,9H,2-4,8H2,1H3",C10H15NO,,,,,,GKACYEDEVWNLBG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.799,245-994-9,24032-35-7,(S)-4-amino-5-[(4-nitrophenyl)amino]-5-oxovaleric acid,N-(4-nitrophenyl)-D-alpha-glutamine,N[C@@H](CCC(=O)O)C(=O)Nc1ccc(cc1)[N+](=O)[O-],N[C@@H](CCC(=O)O)C(=O)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H13N3O5/c12-9(5-6-10(15)16)11(17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,17)(H,15,16)",C11H13N3O5,,,,,,JXQXNQKTUGNZLD-VIFPVBQESA-N,,,,,,,,,,,
100.041.800,245-995-4,24032-65-3,"N-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl]acetamide","N-[2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethyl]acetamide",CC(=O)NCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,CC(=O)NCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C19H20ClN3O3S/c1-14(24)21-11-13-27(25,26)18-8-6-17(7-9-18)23-12-10-19(22-23)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,21,24)",C19H20ClN3O3S,,,,,,OLAWASSCAKHGDM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.804,246-000-6,24048-14-4,"2,6,10-trimethylundeca-5,9-dienol","2,6,10-trimethylundeca-5,9-dien-1-ol",C/C(C)=C\\CCC(C)=CCCC(C)CO,C/C(C)=C\CCC(C)=CCCC(C)CO,"InChI=1/C14H26O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,14-15H,5-6,8,10-11H2,1-4H3",C14H26O,,,,,,SVHDKVPXRARVAO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.813,246-010-0,24079-95-6,Ethyl 6-(isopropyl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate,ethyl 6-isopropyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate,CCOC(=O)C1C(CC(=O)C=C1C)C(C)C,CCOC(=O)C1C(CC(=O)C=C1C)C(C)C,"InChI=1/C13H20O3/c1-5-16-13(15)12-9(4)6-10(14)7-11(12)8(2)3/h6,8,11-12H,5,7H2,1-4H3",C13H20O3,,,,,,QBMOPULUXAKJTR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.436,245-596-5,23346-57-8,"N,N'-dipropylbutane-1,4-diamine","N,N'-dipropylbutane-1,4-diamine",CCCNCCCCNCCC,CCCNCCCCNCCC,"InChI=1/C10H24N2/c1-3-7-11-9-5-6-10-12-8-4-2/h11-12H,3-10H2,1-2H3",C10H24N2,,,,,,OHTVZIMDFZDLPB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.439,245-599-1,23350-56-3,3-ethyl-5-[(1-ethyl-(1H)-quinolin-2-ylidene)ethylidene]-2-thioxothiazolidin-4-one,"3-ethyl-5-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",CCN1C(=S)SC(=CC=C2C=Cc3ccccc3N2CC)C1=O,CCN1C(=S)SC(=CC=C2C=Cc3ccccc3N2CC)C1=O,"InChI=1/C18H18N2OS2/c1-3-19-14(10-9-13-7-5-6-8-15(13)19)11-12-16-17(21)20(4-2)18(22)23-16/h5-12H,3-4H2,1-2H3",C18H18N2OS2,,,,,,VXTRKKVTLJDOET-UHFFFAOYSA-N,,,,,,,,,,,
100.040.222,244-261-0,21188-58-9,Methyl 3-hydroxyhexanoate,methyl 3-hydroxyhexanoate,CCCC(O)CC(=O)OC,CCCC(O)CC(=O)OC,"InChI=1/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3",C7H14O3,,,,,,ACCRBMDJCPPJDX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.228,244-267-3,21203-88-3,"Diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(C)NC(=C(C1c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)OCC)C,CCOC(=O)C1=C(C)NC(=C(C1c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)OCC)C,"InChI=1/C21H26N2O8/c1-7-30-20(24)17-11(3)22-12(4)18(21(25)31-8-2)19(17)13-9-15(28-5)16(29-6)10-14(13)23(26)27/h9-10,19,22H,7-8H2,1-6H3",C21H26N2O8,,,,,,DEVHMZKJIJMPBI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.230,244-269-4,21209-30-3,"Oxydi-2,1-ethanediyl dioleate","oxydiethane-2,1-diyl bisoctadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)44-37-35-43-36-38-45-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3",C40H74O5,,,,,,HJRDNARELSKHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.817,243-815-9,20427-59-2,Copper dihydroxide,copper(2+) dihydroxide,[Cu+2].[OH-].[OH-],[Cu+2].[OH-].[OH-],InChI=1/Cu.2H2O/h;2*1H2/q+2;;/p-2,CuH2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14119,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.817,JJLJMEJHUUYSSY-UHFFFAOYSA-L,,,,,,,,,,,
100.039.831,243-831-6,20451-53-0,Phenyl vinyl sulphoxide,(vinylsulfinyl)benzene,C=CS(=O)c1ccccc1,C=CS(=O)c1ccccc1,"InChI=1/C8H8OS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H,1H2",C8H8OS,,,,,,MZMJHXFYLRTLQX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.832,243-832-1,20451-90-5,Triphenyl(pivaloyloxy)stannane,"[(2,2-dimethylpropanoyl)oxy](triphenyl)stannane",CC(C)(C)C(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,CC(C)(C)C(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/3C6H5.C5H10O2.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4(6)7;/h3*1-5H;1-3H3,(H,6,7);/q;;;;+1/p-1/rC23H24O2Sn/c1-23(2,3)22(24)25-26(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3",C23H24O2Sn,,,,,,RQAQGOWWZZZDOG-UHFFFAOYSA-M,,,,,,,,,,,
100.039.837,243-837-9,20461-99-8,"Ethyl 1,3-dithiolane-2-carboxylate","ethyl 1,3-dithiolane-2-carboxylate",CCOC(=O)C1SCCS1,CCOC(=O)C1SCCS1,"InChI=1/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h6H,2-4H2,1H3",C6H10O2S2,,,,,,OMCSHTHLIQOHDD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.839,243-840-5,20464-36-2,"3,3'-[isopropylidenebis(p-phenyleneoxy)]dipropanol","3,3'-[propane-2,2-diylbis(4,1-phenyleneoxy)]dipropan-1-ol",CC(C)(c1ccc(OCCCO)cc1)c2ccc(OCCCO)cc2,CC(C)(c1ccc(OCCCO)cc1)c2ccc(OCCCO)cc2,"InChI=1/C21H28O4/c1-21(2,17-5-9-19(10-6-17)24-15-3-13-22)18-7-11-20(12-8-18)25-16-4-14-23/h5-12,22-23H,3-4,13-16H2,1-2H3",C21H28O4,,,,,,CPHURRLSZSRQFS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.841,243-842-6,20466-33-5,Lithium palmitate,lithium palmitate,[Li+].CCCCCCCCCCCCCCCC(=O)[O-],[Li+].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C16H32O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1",C16H32O2.Li,,,,,,BZMIKKVSCNHEFL-UHFFFAOYSA-M,,,,,,,,,,,
100.039.846,243-847-3,20483-36-7,"4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)butan-2-one","4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one",CC(=O)CCC1=C(C)C=CCC1(C)C,CC(=O)CCC1=C(C)C=CCC1(C)C,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3",C13H20O,,,,,,SQFRYZPEWOZAKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.847,243-848-9,20485-39-6,Ethyl 4-methyloxazole-5-carboxylate,"ethyl 4-methyl-1,3-oxazole-5-carboxylate",CCOC(=O)c1ocnc1C,CCOC(=O)c1ocnc1C,"InChI=1/C7H9NO3/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3",C7H9NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1568,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.847,XNMORZSEENWFLI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.848,243-849-4,20487-10-9,"4-methyl-1,3-benzodioxole","4-methyl-1,3-benzodioxole",Cc1cccc2OCOc12,Cc1cccc2OCOc12,"InChI=1/C8H8O2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-4H,5H2,1H3",C8H8O2,,,,,,INHYNOZJAVXMJL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.858,243-860-4,20526-58-3,"Sulphosuccinic acid, sodium salt","sodium 1,2-dicarboxyethanesulfonate",OC(=O)CC(C(=O)O)S(=O)(=O)O[Na],OC(=O)CC(C(=O)O)S(=O)(=O)O[Na],"InChI=1/C4H6O7S.Na/c5-3(6)1-2(4(7)8)12(9,10)11;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);/q;+1/p-1/rC4H5NaO7S/c5-12-13(10,11)2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)",C4H6O7S.xNa,,,,,,WQQPDTLGLVLNOH-UHFFFAOYSA-M,,,,,,,,,,,
100.039.859,243-862-5,20526-97-0,3-[(4-chlorophenyl)methylene]phthalide,3-(4-chlorobenzylidene)-2-benzofuran-1(3H)-one,Clc1ccc(cc1)C=C3OC(=O)c2ccccc23,Clc1ccc(cc1)C=C3OC(=O)c2ccccc23,InChI=1/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H,C15H9ClO2,,,,,,OHRFHJYUEWVXBD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.458,247-820-7,26576-46-5,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide","3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",CC(=O)CC(=O)Nc1ccc2NC(=O)Nc2c1,CC(=O)CC(=O)Nc1ccc2NC(=O)Nc2c1,"InChI=1/C11H11N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)(H2,13,14,17)",C11H11N3O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1884,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.458,VEMDQCGHZNXORX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.462,247-824-9,26585-74-0,"(R)-2,2,3-trimethylcyclopent-3-ene-1-acetonitrile","(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile",CC1=CC[C@H](CC#N)C1(C)C,CC1=CC[C@H](CC#N)C1(C)C,"InChI=1/C10H15N/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9H,5-6H2,1-3H3",C10H15N,,,,,,YYJOTFQPYNOYAB-SECBINFHSA-N,,,,,,,,,,,
100.042.637,246-917-1,25377-73-5,Dodecenylsuccinic anhydride,"3-dodec-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCC,"InChI=1/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h11-12,14H,2-10,13H2,1H3",C16H26O3,,,,,,WVRNUXJQQFPNMN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.641,246-921-3,25377-92-8,Dibutylnaphthalenesulphonic acid,"2,3-dibutylnaphthalene-1-sulfonic acid",CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)O,CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)O,"InChI=1/C18H24O3S/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21)",C18H24O3S,,,,,,QZEDXQFZACVDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.452,250-013-2,30044-61-2,"N-[(1,1-dimethylethoxy)carbonyl]-3-[(1,1-dimethylethyl)dithio]-L-alanine",N-(tert-butoxycarbonyl)-3-(tert-butyldisulfanyl)-L-alanine,CC(C)(C)OC(=O)N[C@@H](CSSC(C)(C)C)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CSSC(C)(C)C)C(=O)O,"InChI=1/C12H23NO4S2/c1-11(2,3)17-10(16)13-8(9(14)15)7-18-19-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)",C12H23NO4S2,,,,,,PPQRALRLGBAWHD-QMMMGPOBSA-N,,,,,,,,,,,
100.045.458,250-020-0,30064-28-9,"3,4,5-trichlorobenzene-1,2-diamine","3,4,5-trichlorobenzene-1,2-diamine",Nc1cc(Cl)c(Cl)c(Cl)c1N,Nc1cc(Cl)c(Cl)c(Cl)c1N,"InChI=1/C6H5Cl3N2/c7-2-1-3(10)6(11)5(9)4(2)8/h1H,10-11H2",C6H5Cl3N2,,,,,,ZFDILXLUXPRASO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.459,250-021-6,30069-73-9,7-nitro-3-phenyl-1-naphthyl 4-nitrophenylacetate,7-nitro-3-phenyl-1-naphthyl (4-nitrophenyl)acetate,[O-][N+](=O)c1ccc(CC(=O)Oc2cc(cc3ccc(cc23)[N+](=O)[O-])c4ccccc4)cc1,[O-][N+](=O)c1ccc(CC(=O)Oc2cc(cc3ccc(cc23)[N+](=O)[O-])c4ccccc4)cc1,"InChI=1/C24H16N2O6/c27-24(12-16-6-9-20(10-7-16)25(28)29)32-23-14-19(17-4-2-1-3-5-17)13-18-8-11-21(26(30)31)15-22(18)23/h1-11,13-15H,12H2",C24H16N2O6,,,,,,IGPNRRLOXTVJSE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.462,250-024-2,30073-50-8,"3,4-dihydro-2H-1-benzothiopyran-8-ol",thiochroman-8-ol,Oc1cccc2CCCSc12,Oc1cccc2CCCSc12,"InChI=1/C9H10OS/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,10H,2,4,6H2",C9H10OS,,,,,,RGGVNXXEMZOMQS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.464,250-026-3,30075-29-7,[8-[(4-amino-2-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium,"8-[(4-amino-2-nitrophenyl)diazenyl]-7-hydroxy-N,N,N-trimethylnaphthalen-2-aminium",[O-][N+](=O)c3cc(N)ccc3N=Nc1c2cc(ccc2ccc1O)[N+](C)(C)C,[O-][N+](=O)c3cc(N)ccc3N=Nc1c2cc(ccc2ccc1O)[N+](C)(C)C,"InChI=1/C19H19N5O3/c1-24(2,3)14-7-4-12-5-9-18(25)19(15(12)11-14)22-21-16-8-6-13(20)10-17(16)23(26)27/h4-11H,1-3H3,(H2-,20,21,22,25)/p+1",C19H20N5O3,,,,,,ACJZSAIXKMKOEZ-UHFFFAOYSA-O,,,,,,,,,,,
100.045.466,250-028-4,30077-75-9,3-anilino-2-veratrylacrylonitrile,"3-anilino-2-(3,4-dimethoxybenzyl)acrylonitrile",COc1ccc(C\\C(=C/Nc2ccccc2)\\C#N)cc1OC,COc1ccc(C\C(=C/Nc2ccccc2)\C#N)cc1OC,"InChI=1/C18H18N2O2/c1-21-17-9-8-14(11-18(17)22-2)10-15(12-19)13-20-16-6-4-3-5-7-16/h3-9,11,13,20H,10H2,1-2H3",C18H18N2O2,,,,,,WRWFNXNJEVRTQT-FYWRMAATSA-N,,,,,,,,,,,
100.045.473,250-036-8,30084-91-4,Indan-5-carbaldehyde,indane-5-carbaldehyde,O=Cc1ccc2CCCc2c1,O=Cc1ccc2CCCc2c1,"InChI=1/C10H10O/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-7H,1-3H2",C10H10O,,,,,,YNGGRNROMJXLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.474,250-037-3,30085-34-8,1-(4-chlorophenyl)-3-hydroxyurea,1-(4-chlorophenyl)-3-hydroxyurea,ONC(=O)Nc1ccc(Cl)cc1,ONC(=O)Nc1ccc(Cl)cc1,"InChI=1/C7H7ClN2O2/c8-5-1-3-6(4-2-5)9-7(11)10-12/h1-4,12H,(H2,9,10,11)",C7H7ClN2O2,,,,,,BVMOJUSYEYRSRG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.482,250-046-2,30095-63-7,2-ethyl-2-methyloxirane,2-ethyl-2-methyloxirane,CCC1(C)CO1,CCC1(C)CO1,"InChI=1/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3",C5H10O,,,,,,QZXUQPKFNQQQAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.483,250-047-8,30095-79-5,Ethyl 6-nitro-4-oxo-4H-1-benzopyran-2-carboxylate,ethyl 6-nitro-4-oxo-4H-chromene-2-carboxylate,CCOC(=O)C1=CC(=O)c2cc(ccc2O1)[N+](=O)[O-],CCOC(=O)C1=CC(=O)c2cc(ccc2O1)[N+](=O)[O-],"InChI=1/C12H9NO6/c1-2-18-12(15)11-6-9(14)8-5-7(13(16)17)3-4-10(8)19-11/h3-6H,2H2,1H3",C12H9NO6,,,,,,RWGUGNHDBXRLSD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.322,246-571-1,25026-34-0,4-chlorophenylacetyl chloride,(4-chlorophenyl)acetyl chloride,ClC(=O)Cc1ccc(Cl)cc1,ClC(=O)Cc1ccc(Cl)cc1,"InChI=1/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2",C8H6Cl2O,,,,,,UMQUIRYNOVNYPA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.324,246-573-2,25027-52-5,Methyl a-methylpiperidine-1-propionate hydrochloride,methyl 2-methyl-3-piperidin-1-ylpropanoate hydrochloride,Cl.COC(=O)C(C)CN1CCCCC1,Cl.COC(=O)C(C)CN1CCCCC1,"InChI=1/C10H19NO2.ClH/c1-9(10(12)13-2)8-11-6-4-3-5-7-11;/h9H,3-8H2,1-2H3;1H",C10H19NO2.ClH,,,,,,BRLMJFOVAVVDEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.326,246-575-3,25027-58-1,Methyl hexahydro-a-methyl-1H-azepine-1-propionate hydrochloride,methyl 3-azepan-1-yl-2-methylpropanoate hydrochloride,Cl.COC(=O)C(C)CN1CCCCCC1,Cl.COC(=O)C(C)CN1CCCCCC1,"InChI=1/C11H21NO2.ClH/c1-10(11(13)14-2)9-12-7-5-3-4-6-8-12;/h10H,3-9H2,1-2H3;1H",C11H21NO2.ClH,,,,,,QLLSLSKMQZYDFV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.213,244-251-6,21160-82-7,"4-nitrophenyl N2,N6-bis[(phenylmethoxy)carbonyl]-L-lysinate","4-nitrophenyl N~2~,N~6~-bis[(benzyloxy)carbonyl]-L-lysinate",[O-][N+](=O)c1ccc(OC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3)cc1,[O-][N+](=O)c1ccc(OC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3)cc1,"InChI=1/C28H29N3O8/c32-26(39-24-16-14-23(15-17-24)31(35)36)25(30-28(34)38-20-22-11-5-2-6-12-22)13-7-8-18-29-27(33)37-19-21-9-3-1-4-10-21/h1-6,9-12,14-17,25H,7-8,13,18-20H2,(H,29,33)(H,30,34)",C28H29N3O8,,,,,,DQKARZJTYUBTMX-VWLOTQADSA-N,,,,,,,,,,,
100.040.217,244-255-8,21170-10-5,"cis-tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione","3a,6a-dimethyltetrahydropentalene-2,5(1H,3H)-dione",C[C@@]12CC(=O)C[C@]1(C)CC(=O)C2,C[C@@]12CC(=O)C[C@]1(C)CC(=O)C2,"InChI=1/C10H14O2/c1-9-3-7(11)5-10(9,2)6-8(12)4-9/h3-6H2,1-2H3",C10H14O2,,,,,,KGZWVKASYOPUET-AOOOYVTPSA-N,,,,,,,,,,,
100.040.220,244-258-4,21182-65-0,2-hexadecyl-5-methylhydroquinone,"2-hexadecyl-5-methylbenzene-1,4-diol",CCCCCCCCCCCCCCCCc1cc(O)c(C)cc1O,CCCCCCCCCCCCCCCCc1cc(O)c(C)cc1O,"InChI=1/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19-22(24)20(2)18-23(21)25/h18-19,24-25H,3-17H2,1-2H3",C23H40O2,,,,,,HINXRUYNUJLKSX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.224,244-263-1,21188-61-4,Ethyl 3-acetoxyhexanoate,ethyl 3-acetoxyhexanoate,CCCC(CC(=O)OCC)OC(=O)C,CCCC(CC(=O)OCC)OC(=O)C,"InChI=1/C10H18O4/c1-4-6-9(14-8(3)11)7-10(12)13-5-2/h9H,4-7H2,1-3H3",C10H18O4,,,,,,UYBMIHNGXIOMAW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.825,243-824-8,20442-06-2,2-butoxyethyl butyrate,2-butoxyethyl butyrate,CCCCOCCOC(=O)CCC,CCCCOCCOC(=O)CCC,"InChI=1/C10H20O3/c1-3-5-7-12-8-9-13-10(11)6-4-2/h3-9H2,1-2H3",C10H20O3,,,,,,JWIUNFHJMLAEPS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.826,243-825-3,20442-11-9,2-butoxyethyl nonan-1-oate,2-butoxyethyl nonanoate,CCCCCCCCC(=O)OCCOCCCC,CCCCCCCCC(=O)OCCOCCCC,"InChI=1/C15H30O3/c1-3-5-7-8-9-10-11-15(16)18-14-13-17-12-6-4-2/h3-14H2,1-2H3",C15H30O3,,,,,,XHYOMWNQYADXSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.829,243-829-5,20445-31-2,(+)-a-methoxy-a-(trifluoromethyl)phenylacetic acid,"3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",COC(C(=O)O)(c1ccccc1)C(F)(F)F,COC(C(=O)O)(c1ccccc1)C(F)(F)F,"InChI=1/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)",C10H9F3O3,,,,,,JJYKJUXBWFATTE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.830,243-830-0,20450-76-4,"Phthalic acid, ammonium salt",ammonium 2-carboxybenzoate,[NH4+].OC(=O)c1ccccc1C(=O)[O-],[NH4+].OC(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H3",C8H6O4.xH3N,,,,,,OSKNUZYLXFBIHL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.833,243-833-7,20452-51-1,"Diethyl (2,5-dimethoxybenzyl)malonate","diethyl (2,5-dimethoxybenzyl)malonate",CCOC(=O)C(Cc1cc(OC)ccc1OC)C(=O)OCC,CCOC(=O)C(Cc1cc(OC)ccc1OC)C(=O)OCC,"InChI=1/C16H22O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-9,13H,5-6,10H2,1-4H3",C16H22O6,,,,,,HJUFGOPKAMIEDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.835,243-835-8,20457-75-4,[R-(Z)]-N-[3-(dimethylamino)propyl]-12-hydroxy-9-octadecenamide,N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide,CCCCCCC(O)CC=CCCCCCCCC(=O)NCCCN(C)C,CCCCCCC(O)CC=CCCCCCCCC(=O)NCCCN(C)C,"InChI=1/C23H46N2O2/c1-4-5-6-13-17-22(26)18-14-11-9-7-8-10-12-15-19-23(27)24-20-16-21-25(2)3/h11,14,22,26H,4-10,12-13,15-21H2,1-3H3,(H,24,27)",C23H46N2O2,,,,,,DWIUBTKCNCCGOO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.836,243-836-3,20461-95-4,Ethyl bis(ethylthio)acetate,ethyl bis(ethylsulfanyl)acetate,CCOC(=O)C(SCC)SCC,CCOC(=O)C(SCC)SCC,"InChI=1/C8H16O2S2/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3",C8H16O2S2,,,,,,DGQHHBMWVOYSHU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.838,243-838-4,20462-00-4,"Ethyl 1,3-dithiane-2-carboxylate","ethyl 1,3-dithiane-2-carboxylate",CCOC(=O)C1SCCCS1,CCOC(=O)C1SCCCS1,"InChI=1/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3",C7H12O2S2,,,,,,ANEDZEVDORCLPM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.840,243-841-0,20465-98-9,10-[(6-aminohexyl)amino]-10-oxodecanoic acid,10-[(6-aminohexyl)amino]-10-oxodecanoic acid,NCCCCCCNC(=O)CCCCCCCCC(=O)O,NCCCCCCNC(=O)CCCCCCCCC(=O)O,"InChI=1/C16H32N2O3/c17-13-9-5-6-10-14-18-15(19)11-7-3-1-2-4-8-12-16(20)21/h1-14,17H2,(H,18,19)(H,20,21)",C16H32N2O3,,,,,,ZTBICKKYGNWYJO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.860,243-863-0,20537-22-8,N-[1-phenyl-3-piperidinopropyl]benzamide,N-(1-phenyl-3-piperidin-1-ylpropyl)benzamide,O=C(NC(CCN1CCCCC1)c2ccccc2)c3ccccc3,O=C(NC(CCN1CCCCC1)c2ccccc2)c3ccccc3,"InChI=1/C21H26N2O/c24-21(19-12-6-2-7-13-19)22-20(18-10-4-1-5-11-18)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)",C21H26N2O,,,,,,LFWBLDXRNPQFIF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.861,243-864-6,20541-49-5,Bis(p-chlorophenyl) diselenide,bis(4-chlorophenyl)diselane,Clc1ccc([Se][Se]c2ccc(Cl)cc2)cc1,Clc1ccc([Se][Se]c2ccc(Cl)cc2)cc1,InChI=1/C12H8Cl2Se2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,C12H8Cl2Se2,,,,,,DVGQWQMPCZYJLR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.444,247-805-5,26562-68-5,"Tetrahydro-2,7a-dimethyl-7aH-oxazolo[2,3-b]oxazole","2,7a-dimethyltetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole",CC1CN2CCOC2(C)O1,CC1CN2CCOC2(C)O1,"InChI=1/C7H13NO2/c1-6-5-8-3-4-9-7(8,2)10-6/h6H,3-5H2,1-2H3",C7H13NO2,,,,,,AFRVEOQRRBJDRI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.441,245-601-0,23351-51-1,(2<U+03BE>)-D-gluco-heptonic acid,heptonic acid,OCC(O)C(O)C(O)C(O)C(O)C(=O)O,OCC(O)C(O)C(O)C(O)C(O)C(=O)O,"InChI=1/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)",C7H14O8,,,,,,KWMLJOLKUYYJFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.448,245-608-9,23359-08-2,p-formylcinnamic acid,3-(4-formylphenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(C=O)cc1,OC(=O)\C=C\c1ccc(C=O)cc1,"InChI=1/C10H8O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-7H,(H,12,13)",C10H8O3,,,,,,LBOUHDMYVURTMA-AATRIKPKSA-N,,,,,,,,,,,
100.041.455,245-616-2,23368-58-3,Hydrogen 5-phenyl-2-[2-[[5-phenyl-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(4-sulphonatobutyl)benzoxazolium,"hydrogen 4-[5-phenyl-2-(2-{[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylene}butylidene)-1,3-benzoxazol-3(2H)-yl]butane-1-sulfonate",[H+].[O-]S(=O)(=O)CCCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCCCS([O-])(=O)=O)c3ccccc3)c6ccccc6,[H+].[O-]S(=O)(=O)CCCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCCCS([O-])(=O)=O)c3ccccc3)c6ccccc6,"InChI=1/C39H40N2O8S2.H2/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;/h3-8,13-20,25-28H,2,9-12,21-24H2,1H3,(H-,42,43,44,45,46,47);1H/q;+1/p-1",C39H40N2O8S2,,,,,,PNBPXAZPFGEQNX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.457,245-618-3,23374-15-4,"1,3-bis[3-(3-phenoxyphenoxy)phenoxy]benzene","1,1'-[1,3-phenylenebis(oxy-3,1-phenyleneoxy)]bis(3-phenoxybenzene)",O(c1ccccc1)c2cccc(Oc3cccc(Oc4cccc(Oc5cccc(Oc6cccc(Oc7ccccc7)c6)c5)c4)c3)c2,O(c1ccccc1)c2cccc(Oc3cccc(Oc4cccc(Oc5cccc(Oc6cccc(Oc7ccccc7)c6)c5)c4)c3)c2,InChI=1/C42H30O6/c1-3-12-31(13-4-1)43-33-16-7-18-35(26-33)45-37-20-9-22-39(28-37)47-41-24-11-25-42(30-41)48-40-23-10-21-38(29-40)46-36-19-8-17-34(27-36)44-32-14-5-2-6-15-32/h1-30H,C42H30O6,,,,,,YOHIVSZDAABZDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.458,245-619-9,23378-88-3,"3,5-dichloro-2-hydroxybenzenesulphonyl chloride","3,5-dichloro-2-hydroxybenzenesulfonyl chloride",Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Cl,Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Cl,"InChI=1/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H",C6H3Cl3O3S,,,,,,KXFQRJNVGBIDHA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.469,245-631-4,23394-07-2,"3ß-[(2,6-dideoxy-3,4-O-isopropylidene-ß-D-ribo-hexopyranosyl)oxy]-14,16ß-dihydroxy-5ß-card-20(22)-enolide 16-formate","3-[(2,6-dideoxy-3,4-O-isopropylidenehexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide",CC1OC(CC2OC(C)(C)OC12)OC3CCC4(C)C(CCC5C4CCC6(C)C(C(CC56O)OC=O)C7=CC(=O)OC7)C3,CC1OC(CC2OC(C)(C)OC12)OC3CCC4(C)C(CCC5C4CCC6(C)C(C(CC56O)OC=O)C7=CC(=O)OC7)C3,"InChI=1/C33H48O9/c1-18-29-24(41-30(2,3)42-29)14-27(39-18)40-21-8-10-31(4)20(13-21)6-7-23-22(31)9-11-32(5)28(19-12-26(35)37-16-19)25(38-17-34)15-33(23,32)36/h12,17-18,20-25,27-29,36H,6-11,13-16H2,1-5H3",C33H48O9,,,,,,RHUWHHKCSPTUNK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.474,245-637-7,23406-33-9,"Bis[2-[2-[4-[(2-ethoxyethyl)ethylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium] tetrachlorozincate","bis[2-(2-{4-[(2-ethoxyethyl)(ethyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium] tetrachlorozincate(2-)",CCOCCN(CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CCOCCN(CC)c4ccc(\\C=C\\C5=[N+](C)c6ccccc6C5(C)C)cc4.Cl[Zn-2](Cl)(Cl)Cl,CCOCCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CCOCCN(CC)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C25H33N2O.4ClH.Zn/c2*1-6-27(18-19-28-7-2)21-15-12-20(13-16-21)14-17-24-25(3,4)22-10-8-9-11-23(22)26(24)5;;;;;/h2*8-17H,6-7,18-19H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4/r2C25H33N2O.Cl4Zn/c2*1-6-27(18-19-28-7-2)21-15-12-20(13-16-21)14-17-24-25(3,4)22-10-8-9-11-23(22)26(24)5;1-5(2,3)4/h2*8-17H,6-7,18-19H2,1-5H3;/q2*+1;-2",C25H33N2O.1/2Cl4Zn,,,,,,BNTOLCPHWGFGRP-UHFFFAOYSA-J,,,,,,,,,,,
100.041.478,245-641-9,23410-25-5,Barium dipalmitate,barium dihexadecanoate,[Ba+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Ba,,,,,,RAVAZXZOSFZIRB-UHFFFAOYSA-L,,,,,,,,,,,
100.041.480,245-644-5,23412-21-7,1-methylpropyl isobutyrate,sec-butyl 2-methylpropanoate,CCC(C)OC(=O)C(C)C,CCC(C)OC(=O)C(C)C,"InChI=1/C8H16O2/c1-5-7(4)10-8(9)6(2)3/h6-7H,5H2,1-4H3",C8H16O2,,,,,,HLIYSUDZNWPHKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.471,237-934-5,14088-71-2,Proclonol,bis(4-chlorophenyl)(cyclopropyl)methanol,OC(C1CC1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,OC(C1CC1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,"InChI=1/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2",C16H14Cl2O,,,,,,BKAYSPSVVJBHHK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.479,237-942-9,14093-97-1,"2-(2-furyl)-5-phenyl-1,3,4-oxadiazole","2-(2-furyl)-5-phenyl-1,3,4-oxadiazole",o1cccc1c2oc(nn2)c3ccccc3,o1cccc1c2oc(nn2)c3ccccc3,InChI=1/C12H8N2O2/c1-2-5-9(6-3-1)11-13-14-12(16-11)10-7-4-8-15-10/h1-8H,C12H8N2O2,,,,,,RUMMFSKZAJIGOV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.496,237-961-2,14107-37-0,Alfadolone,"3,21-dihydroxypregnane-11,20-dione",CC12CCC(O)CC1CCC3C4CCC(C(=O)CO)C4(C)CC(=O)C23,CC12CCC(O)CC1CCC3C4CCC(C(=O)CO)C4(C)CC(=O)C23,"InChI=1/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3",C21H32O4,,,,,,XWYBFXIUISNTQG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.498,237-963-3,14109-13-8,"2,6-dicyclooctylphenol","2,6-dicyclooctylphenol",Oc1c(cccc1C2CCCCCCC2)C3CCCCCCC3,Oc1c(cccc1C2CCCCCCC2)C3CCCCCCC3,"InChI=1/C22H34O/c23-22-20(18-12-7-3-1-4-8-13-18)16-11-17-21(22)19-14-9-5-2-6-10-15-19/h11,16-19,23H,1-10,12-15H2",C22H34O,,,,,,IAFDAEJVICEKQL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.464,247-827-5,26586-55-0,1-[4-(4-methylpiperazin-1-yl)phenyl]ethan-1-one,1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone,CN1CCN(CC1)c2ccc(cc2)C(=O)C,CN1CCN(CC1)c2ccc(cc2)C(=O)C,"InChI=1/C13H18N2O/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3",C13H18N2O,,,,,,IRIZGAMYKHTLKS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.465,247-828-0,26588-32-9,Vinylnaphthalene,1-vinylnaphthalene,C=Cc1cccc2ccccc12,C=Cc1cccc2ccccc12,"InChI=1/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2",C12H10,,,,,,IGGDKDTUCAWDAN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.471,247-834-3,26592-28-9,"2-amino-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzenesulphonic acid","2-amino-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzenesulfonic acid",Nc1cc(Nc2nc(F)nc(F)c2Cl)ccc1S(=O)(=O)O,Nc1cc(Nc2nc(F)nc(F)c2Cl)ccc1S(=O)(=O)O,"InChI=1/C10H7ClF2N4O3S/c11-7-8(12)16-10(13)17-9(7)15-4-1-2-6(5(14)3-4)21(18,19)20/h1-3H,14H2,(H,15,16,17)(H,18,19,20)",C10H7ClF2N4O3S,,,,,,QALUXLMZFUOZTH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.479,247-843-2,26604-51-3,Tris(dichloropropyl) phosphate,"tris(1,1-dichloropropyl) phosphate",CCC(Cl)(Cl)OP(=O)(OC(Cl)(Cl)CC)OC(Cl)(Cl)CC,CCC(Cl)(Cl)OP(=O)(OC(Cl)(Cl)CC)OC(Cl)(Cl)CC,"InChI=1/C9H15Cl6O4P/c1-4-7(10,11)17-20(16,18-8(12,13)5-2)19-9(14,15)6-3/h4-6H2,1-3H3",C9H15Cl6O4P,,,,,,CYVHHNPJNLNIEP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.481,247-845-3,26605-69-6,Carindacillin sodium,"sodium 6-{[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4CCCc4c3)c5ccccc5)C(=O)N2[C@H]1C(=O)[O-],[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4CCCc4c3)c5ccccc5)C(=O)N2[C@H]1C(=O)[O-],"InChI=1/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1",C26H26N2O6S.Na,,,,,,QFWPXOXWAUAYAB-XZVIDJSISA-M,,,,,,,,,,,
100.043.482,247-846-9,26607-48-7,"1-benzyl hydrogen (S)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)",1-[(benzyloxy)carbonyl]-L-proline - N-cyclohexylcyclohexanamine (1:1),OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2.C3CCC(CC3)NC4CCCCC4,OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2.C3CCC(CC3)NC4CCCCC4,"InChI=1/C13H15NO4.C12H23N/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-3,5-6,11H,4,7-9H2,(H,15,16);11-13H,1-10H2",C13H15NO4.C12H23N,,,,,,PWMKQBQSSFVIFC-MERQFXBCSA-N,,,,,,,,,,,
100.043.104,247-431-2,26046-85-5,"m-phenoxybenzyl (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,CC(=CC1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,"InChI=1/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3",C23H26O3,,,,,,SBNFWQZLDJGRLK-LBAQZLPGSA-N,,,,,,,,,,,
100.043.112,247-440-1,26073-88-1,1-mercaptotetradecan-2-ol,1-sulfanyltetradecan-2-ol,CCCCCCCCCCCCC(O)CS,CCCCCCCCCCCCC(O)CS,"InChI=1/C14H30OS/c1-2-3-4-5-6-7-8-9-10-11-12-14(15)13-16/h14-16H,2-13H2,1H3",C14H30OS,,,,,,ZTHFHHQRUMLRIM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.119,247-448-5,26079-12-9,"4-hydroxy-3-[[4-[(2-hydroxy-7-sulpho-1-naphthyl)azo]-2,5-dimethoxyphenyl]azo]-8-[(4-sulphobenzoyl)amino]naphthalene-2-sulphonic acid","4-hydroxy-3-({4-[(2-hydroxy-7-sulfo-1-naphthyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)-8-[(4-sulfobenzoyl)amino]naphthalene-2-sulfonic acid",COc6cc(N=Nc1c2cc(ccc2ccc1O)S(O)(=O)=O)c(cc6N=Nc5c(cc4c(NC(=O)c3ccc(cc3)S(O)(=O)=O)cccc4c5O)S(O)(=O)=O)OC,COc6cc(N=Nc1c2cc(ccc2ccc1O)S(O)(=O)=O)c(cc6N=Nc5c(cc4c(NC(=O)c3ccc(cc3)S(O)(=O)=O)cccc4c5O)S(O)(=O)=O)OC,"InChI=1/C35H27N5O14S3/c1-53-29-17-27(30(54-2)16-26(29)37-39-32-23-14-21(56(47,48)49)12-6-18(23)9-13-28(32)41)38-40-33-31(57(50,51)52)15-24-22(34(33)42)4-3-5-25(24)36-35(43)19-7-10-20(11-8-19)55(44,45)46/h3-17,41-42H,1-2H3,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)",C35H27N5O14S3,,,,,,VTUPBQLBSPFWSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.120,247-449-0,26087-47-8,S-benzyl diisopropyl phosphorothioate,"S-benzyl O,O-diisopropyl thiophosphate",CC(C)OP(=O)(OC(C)C)SCc1ccccc1,CC(C)OP(=O)(OC(C)C)SCc1ccccc1,"InChI=1/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3",C13H21O3PS,,,,,,FCOAHACKGGIURQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.121,247-450-6,26087-98-9,"Bis(4-methyl-4-aza-1,1-hexamethylene)thiuram disulphide","1,1'-[(1,2-dithioxoethane-1,2-diyl)disulfanediyl]bis(4-methyl-1,4-diazepane)",CN1CCCN(CC1)SC(=S)C(=S)SN2CCCN(C)CC2,CN1CCCN(CC1)SC(=S)C(=S)SN2CCCN(C)CC2,"InChI=1/C14H26N4S4/c1-15-5-3-7-17(11-9-15)21-13(19)14(20)22-18-8-4-6-16(2)10-12-18/h3-12H2,1-2H3",C14H26N4S4,,,,,,ZBOQJSZLISTDCA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.122,247-451-1,26091-11-2,(E)-5-(but-2-enyl)-2-methylpyridine,5-but-2-en-1-yl-2-methylpyridine,C\\C=C\\Cc1ccc(C)nc1,C\C=C\Cc1ccc(C)nc1,"InChI=1/C10H13N/c1-3-4-5-10-7-6-9(2)11-8-10/h3-4,6-8H,5H2,1-2H3",C10H13N,,,,,,BLUFNCNDYMJKFL-ONEGZZNKSA-N,,,,,,,,,,,
100.042.331,246-581-6,25047-90-9,3-[[2-(benzoyloxy)ethyl]phenylamino]propiononitrile,2-[(2-cyanoethyl)(phenyl)amino]ethyl benzoate,O=C(OCCN(CCC#N)c1ccccc1)c2ccccc2,O=C(OCCN(CCC#N)c1ccccc1)c2ccccc2,"InChI=1/C18H18N2O2/c19-12-7-13-20(17-10-5-2-6-11-17)14-15-22-18(21)16-8-3-1-4-9-16/h1-6,8-11H,7,13-15H2",C18H18N2O2,,,,,,UJTRMFNKHYGXDI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.333,246-583-7,25054-74-4,(carboxylatomethyl)didodecylmethylammonium,3-ammonio-3-dodecylpentadecanoate,CCCCCCCCCCCCC([NH3+])(CCCCCCCCCCCC)CC(=O)[O-],CCCCCCCCCCCCC([NH3+])(CCCCCCCCCCCC)CC(=O)[O-],"InChI=1/C27H55NO2/c1-3-5-7-9-11-13-15-17-19-21-23-27(28,25-26(29)30)24-22-20-18-16-14-12-10-8-6-4-2/h3-25,28H2,1-2H3,(H,29,30)",C27H55NO2,,,,,,STPHMMYCKHXCAF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.335,246-585-8,25057-89-0,Bentazone,"3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide",CC(C)N1C(=O)c2ccccc2NS1(=O)=O,CC(C)N1C(=O)c2ccccc2NS1(=O)=O,"InChI=1/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3",C10H12N2O3S,,,,,,ZOMSMJKLGFBRBS-UHFFFAOYSA-N,Positive/Negative,EA025301|EA025302|EA025303|EA025304|EA025305|EA025306|EA025307|EA025308|EA025309|EA025310|EA025311|EA025312|EA025313|EA025314,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,199.0173|199.0172|199.0171:135.0549:120.0448|199.0172:135.0554:120.0444|107.0604:135.0554:120.0444|107.0603:120.0441:92.0492|107.0603:80.0495:120.044|199.0171|199.0171:120.0443|199.0171:135.0554:107.0603|107.0603:120.0443:135.0551|107.0604:120.0444:80.0495|107.0603:80.0494:120.0442|199.0171,Eawag,AU325851|AU325852|AU325853|AU325854;SM838051;EA025351|EA025352|EA025353|EA025354|EA025355|EA025356|EA025357|EA025358|EA025359|EA025360|EA025361|EA025362|EA025363|EA025364,[M-H]-;[M-H]-;[M-H]-,CID10|CID20|CID30|CID40;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,239.0502:240.0525:241.0471|239.0503:175.0874:132.033|132.0324:133.0392:197.0044|132.0321:133.041;239.0495:132.0327:197.0026;197.0029:175.088:132.033|239.0497|239.0497:175.0878:197.0033|239.0496:175.0878:197.0027|132.0329:133.0407:197.0027|132.0329:133.0407:197.0029|132.0329:133.0406:117.046|239.0496|239.0498:175.0877:197.0023|239.0496:175.0877:197.0026|132.0329:197.0027:133.0407|132.0329:133.0407:197.0026|132.0328:133.0405:117.0455|197.0029:175.088:132.033,Athens_Univ;CASMI_2016;Eawag
100.042.342,246-593-1,25062-49-1,"Ethane-1,2-diylbis(oxyethane-1,2-diyl) distearate","ethane-1,2-diylbis(oxyethane-2,1-diyl) dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H82O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(43)47-39-37-45-35-36-46-38-40-48-42(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",C42H82O6,,,,,,YBRJTUFWBLSLHY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.346,246-597-3,25065-63-8,N-[2-[(2-hydroxyethyl)amino]ethyl]hexadecan-1-amide,N-{2-[(2-hydroxyethyl)amino]ethyl}hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCNCCO,CCCCCCCCCCCCCCCC(=O)NCCNCCO,"InChI=1/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-16-21-18-19-23/h21,23H,2-19H2,1H3,(H,22,24)",C20H42N2O2,,,,,,YAGLIFQYQDBQLD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.347,246-598-9,25066-20-0,N-[3-(dimethylamino)propyl]stearamide N-oxide,"N,N-dimethyl-3-[oxido(stearoyl)amino]propan-1-amine",CCCCCCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C,CCCCCCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C,"InChI=1/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25(27)22-19-21-24(2)3/h25H,4-22H2,1-3H3",C23H48N2O2,,,,,,FIUKDCVJUOWNFR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.353,246-605-5,25080-14-2,N-[3-[bis(phenylmethyl)amino]-4-methoxyphenyl]acetamide,N-[3-(dibenzylamino)-4-methoxyphenyl]acetamide,COc1ccc(NC(=O)C)cc1N(Cc2ccccc2)Cc3ccccc3,COc1ccc(NC(=O)C)cc1N(Cc2ccccc2)Cc3ccccc3,"InChI=1/C23H24N2O2/c1-18(26)24-21-13-14-23(27-2)22(15-21)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,24,26)",C23H24N2O2,,,,,,AFABFCARSKKBAV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.354,246-606-0,25080-15-3,"N-[5-[bis(phenylmethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(dibenzylamino)-4-methoxyphenyl}acetamide",Brc4cc(cc(c4N=Nc1cc(OC)c(cc1NC(C)=O)N(Cc2ccccc2)Cc3ccccc3)[N+]([O-])=O)[N+]([O-])=O,Brc4cc(cc(c4N=Nc1cc(OC)c(cc1NC(C)=O)N(Cc2ccccc2)Cc3ccccc3)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C29H25BrN6O6/c1-19(37)31-24-15-26(34(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21)28(42-2)16-25(24)32-33-29-23(30)13-22(35(38)39)14-27(29)36(40)41/h3-16H,17-18H2,1-2H3,(H,31,37)",C29H25BrN6O6,,,,,,JYAAXCNACZCCRH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.362,246-614-4,25103-12-2,Triisooctyl phosphite,tris(6-methylheptyl) phosphite,CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C,CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C,"InChI=1/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3",C24H51O3P,,,,,,DECPGQLXYYCNEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.520,250-088-1,30191-02-7,4'-acetamido-2-[(5-carbamoyl-2-chlorophenyl)azo]acetoacetanilide,"3-({4-[(4-acetamidophenyl)amino]-2,4-dioxobutyl}diazenyl)-4-chlorobenzamide",Clc2ccc(cc2N=NCC(=O)CC(=O)Nc1ccc(NC(C)=O)cc1)C(N)=O,Clc2ccc(cc2N=NCC(=O)CC(=O)Nc1ccc(NC(C)=O)cc1)C(N)=O,"InChI=1/C19H18ClN5O4/c1-11(26)23-13-3-5-14(6-4-13)24-18(28)9-15(27)10-22-25-17-8-12(19(21)29)2-7-16(17)20/h2-8H,9-10H2,1H3,(H2,21,29)(H,23,26)(H,24,28)",C19H18ClN5O4,,,,,,OCLOXVCMJUKGJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.526,250-094-4,30222-10-7,"2,2,5,5-tetramethyl-4-(hydroxyimino)tetrahydrofuran-3-one hydrazone","4-hydrazono-2,2,5,5-tetramethyldihydrofuran-3(2H)-one oxime",CC1(C)OC(C)(C)C(=NO)C1=NN,CC1(C)OC(C)(C)C(=NO)C1=NN,"InChI=1/C8H15N3O2/c1-7(2)5(10-9)6(11-12)8(3,4)13-7/h12H,9H2,1-4H3",C8H15N3O2,,,,,,VRDJHWPWOGKRMU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.539,250-108-9,30273-11-1,4-sec-butylaniline,4-sec-butylaniline,CCC(C)c1ccc(N)cc1,CCC(C)c1ccc(N)cc1,"InChI=1/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3",C10H15N,,,,,,NVVVQTNTLIAISI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.541,250-111-5,30279-49-3,Suclofenide,"3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide",NS(=O)(=O)c1ccc(N2C(=O)CC(C2=O)c3ccccc3)c(Cl)c1,NS(=O)(=O)c1ccc(N2C(=O)CC(C2=O)c3ccccc3)c(Cl)c1,"InChI=1/C16H13ClN2O4S/c17-13-8-11(24(18,22)23)6-7-14(13)19-15(20)9-12(16(19)21)10-4-2-1-3-5-10/h1-8,12H,9H2,(H2,18,22,23)",C16H13ClN2O4S,,,,,,JUIHCCIFJCSFON-UHFFFAOYSA-N,,,,,,,,,,,
100.045.545,250-115-7,30297-14-4,"4,4a,5,6,7,8-hexahydro-3-methylnaphthalene-2(3H)-one","3-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",CC1CC2CCCCC2=CC1=O,CC1CC2CCCCC2=CC1=O,"InChI=1/C11H16O/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h7-9H,2-6H2,1H3",C11H16O,,,,,,XOJADZURPUVMRO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.449,247-810-2,26566-95-0,Zinc bis[O-(2-ethylhexyl)] bis[O-(isobutyl)] bis(dithiophosphate),zinc bis[O-(2-ethylhexyl) O-isobutyl dithiophosphate],[Zn+2].CCCCC(CC)COP(=S)([S-])OCC(C)C.CCCCC(CC)COP(=S)([S-])OCC(C)C,[Zn+2].CCCCC(CC)COP(=S)([S-])OCC(C)C.CCCCC(CC)COP(=S)([S-])OCC(C)C,"InChI=1/2C12H27O2PS2.Zn/c2*1-5-7-8-12(6-2)10-14-15(16,17)13-9-11(3)4;/h2*11-12H,5-10H2,1-4H3,(H,16,17);/q;;+2/p-2",C12H27O2PS2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11937,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.449,FHIAIHDDIOVFSY-UHFFFAOYSA-L,,,,,,,,,,,
100.043.450,247-811-8,26569-08-4,Bis(nonylphenyl) phosphonate,bis(2-nonylphenyl) phosphonate,CCCCCCCCCc1ccccc1OP(=O)Oc2ccccc2CCCCCCCCC,CCCCCCCCCc1ccccc1OP(=O)Oc2ccccc2CCCCCCCCC,"InChI=1/C30H47O3P/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)32-34(31)33-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2/h17-20,23-26,34H,3-16,21-22H2,1-2H3",C30H47O3P,,,,,,OZCYNULLIUZMAR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.452,247-813-9,26570-85-4,Cyclohexylphenol,2-cyclohexylphenol,Oc1ccccc1C2CCCCC2,Oc1ccccc1C2CCCCC2,"InChI=1/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2",C12H16O,,,,,,MVRPPTGLVPEMPI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.455,247-817-0,26571-79-9,Trichloro(chlorophenyl)silane,trichloro(2-chlorophenyl)silane,Clc1ccccc1[Si](Cl)(Cl)Cl,Clc1ccccc1[Si](Cl)(Cl)Cl,"InChI=1/C6H4Cl4Si/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H",C6H4Cl4Si,,,,,,NYQDBZQWFXNBRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.457,247-819-1,26574-59-4,"p-chlorophenyl 2-chloro-1,1,2-trifluoroethyl sulphone","1-chloro-4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]benzene",FC(Cl)C(F)(F)S(=O)(=O)c1ccc(Cl)cc1,FC(Cl)C(F)(F)S(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C8H5Cl2F3O2S/c9-5-1-3-6(4-2-5)16(14,15)8(12,13)7(10)11/h1-4,7H",C8H5Cl2F3O2S,,,,,,FLVTUGVCOUUNCK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.475,247-839-0,26603-23-6,Bis(octylphenyl)amine,2-octyl-N-(2-octylphenyl)aniline,CCCCCCCCc1ccccc1Nc2ccccc2CCCCCCCC,CCCCCCCCc1ccccc1Nc2ccccc2CCCCCCCC,"InChI=1/C28H43N/c1-3-5-7-9-11-13-19-25-21-15-17-23-27(25)29-28-24-18-16-22-26(28)20-14-12-10-8-6-4-2/h15-18,21-24,29H,3-14,19-20H2,1-2H3",C28H43N,,,,,,FOUNRKRNEDRUPL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.478,247-842-7,26604-41-1,"N,N''-(methyl-m-phenylene)bis[N',N'-dimethylurea]","N',N'''-(2-methyl-1,3-phenylene)bis(1,1-dimethylurea)",CN(C)C(=O)Nc1cccc(NC(=O)N(C)C)c1C,CN(C)C(=O)Nc1cccc(NC(=O)N(C)C)c1C,"InChI=1/C13H20N4O2/c1-9-10(14-12(18)16(2)3)7-6-8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)",C13H20N4O2,,,,,,NEVYNAFJLYYHPR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.480,247-844-8,26604-52-4,Tris(dichloropropyl) phosphite,"tris(1,1-dichloropropyl) phosphite",CCC(Cl)(Cl)OP(OC(Cl)(Cl)CC)OC(Cl)(Cl)CC,CCC(Cl)(Cl)OP(OC(Cl)(Cl)CC)OC(Cl)(Cl)CC,"InChI=1/C9H15Cl6O3P/c1-4-7(10,11)16-19(17-8(12,13)5-2)18-9(14,15)6-3/h4-6H2,1-3H3",C9H15Cl6O3P,,,,,,PFQSDXLYGCHPFF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.108,247-435-4,26051-50-3,Sodium 3-(4-nonylphenoxy)propanesulphonate,sodium 3-(4-nonylphenoxy)propane-1-sulfonate,[Na+].CCCCCCCCCc1ccc(OCCCS(=O)(=O)[O-])cc1,[Na+].CCCCCCCCCc1ccc(OCCCS(=O)(=O)[O-])cc1,"InChI=1/C18H30O4S.Na/c1-2-3-4-5-6-7-8-10-17-11-13-18(14-12-17)22-15-9-16-23(19,20)21;/h11-14H,2-10,15-16H2,1H3,(H,19,20,21);/q;+1/p-1",C18H30O4S.Na,,,,,,YBXJDEBEAFBTER-UHFFFAOYSA-M,,,,,,,,,,,
100.043.123,247-452-7,26091-12-3,(Z)-5-(but-2-enyl)-2-methylpyridine,5-but-2-en-1-yl-2-methylpyridine,C\\C=C/Cc1ccc(C)nc1,C\C=C/Cc1ccc(C)nc1,"InChI=1/C10H13N/c1-3-4-5-10-7-6-9(2)11-8-10/h3-4,6-8H,5H2,1-2H3",C10H13N,,,,,,BLUFNCNDYMJKFL-ARJAWSKDSA-N,,,,,,,,,,,
100.044.753,249-244-1,28805-58-5,Octenylsuccinic acid,2-oct-1-en-1-ylsuccinic acid,OC(=O)C(C=CCCCCCC)CC(O)=O,OC(=O)C(C=CCCCCCC)CC(O)=O,"InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)",C12H20O4,,,,,,KCYQMQGPYWZZNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.766,249-258-8,28821-35-4,"3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontane-1,44-diol","3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontane-1,44-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C30H62O16/c31-1-3-33-5-7-35-9-11-37-13-15-39-17-19-41-21-23-43-25-27-45-29-30-46-28-26-44-24-22-42-20-18-40-16-14-38-12-10-36-8-6-34-4-2-32/h31-32H,1-30H2",C30H62O16,,,,,,OWTQQPNDSWCHOV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.774,249-267-7,28843-34-7,"N,N'-diallyltartramide","N,N'-diallyl-2,3-dihydroxysuccinamide",OC(C(O)C(=O)NCC=C)C(=O)NCC=C,OC(C(O)C(=O)NCC=C)C(=O)NCC=C,"InChI=1/C10H16N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h3-4,7-8,13-14H,1-2,5-6H2,(H,11,15)(H,12,16)",C10H16N2O4,,,,,,ZRKLEAHGBNDKHM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.242,244-283-0,21224-03-3,"1,6-hexanediyl dioleate","hexane-1,6-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C42H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41(43)45-39-35-31-32-36-40-46-42(44)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-40H2,1-2H3",C42H78O4,,,,,,ZNRNSKNVPBUUNI-CLFAGFIQSA-N,,,,,,,,,,,
100.040.245,244-286-7,21239-29-2,"Ethyl 3,5-dimethylbenzoate","ethyl 3,5-dimethylbenzoate",CCOC(=O)c1cc(C)cc(C)c1,CCOC(=O)c1cc(C)cc(C)c1,"InChI=1/C11H14O2/c1-4-13-11(12)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3",C11H14O2,,,,,,IHAAVLXHNOZMBC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.001,239-618-2,15570-18-0,Phenyl 2-mercaptobenzoate,phenyl 2-sulfanylbenzoate,Sc1ccccc1C(=O)Oc2ccccc2,Sc1ccccc1C(=O)Oc2ccccc2,"InChI=1/C13H10O2S/c14-13(11-8-4-5-9-12(11)16)15-10-6-2-1-3-7-10/h1-9,16H",C13H10O2S,,,,,,VPYKTMHVSTXCMB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.002,239-619-8,15570-45-3,"1,2,3,4-tetraphenylcyclopenta-1,3-diene","1,1',1'',1'''-cyclopenta-1,3-diene-1,2,3,4-tetrayltetrabenzene",C1C(=C(C(=C1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5,C1C(=C(C(=C1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5,"InChI=1/C29H22/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24/h1-20H,21H2",C29H22,,,,,,JCXLYAWYOTYWKM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.006,239-624-5,15571-59-2,"Isobutyl (Z,Z)-2-methyl-10,10-dioctyl-5,8,12-trioxo-4,9,11-trioxa-10-stannapentadeca-6,13-dien-15-oate","isobutyl 2-methyl-10,10-dioctyl-5,8,12-trioxo-4,9,11-trioxa-10-stannapentadeca-6,13-dien-15-oate",CCCCCCCC[Sn](CCCCCCCC)(OC(=O)\\C=C/C(=O)OCC(C)C)OC(=O)\\C=C/C(=O)OCC(C)C,CCCCCCCC[Sn](CCCCCCCC)(OC(=O)\C=C/C(=O)OCC(C)C)OC(=O)\C=C/C(=O)OCC(C)C,"InChI=1/2C8H12O4.2C8H17.Sn/c2*1-6(2)5-12-8(11)4-3-7(9)10;2*1-3-5-7-8-6-4-2;/h2*3-4,6H,5H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC32H56O8Sn/c1-7-9-11-13-15-17-23-41(24-18-16-14-12-10-8-2,39-31(35)21-19-29(33)37-25-27(3)4)40-32(36)22-20-30(34)38-26-28(5)6/h19-22,27-28H,7-18,23-26H2,1-6H3",C32H56O8Sn,,,,,,LHLONJLCNOUWLO-VGKOASNMSA-L,,,,,,,,,,,
100.036.013,239-631-3,15574-09-1,"Succinic acid, ammonium salt",ammonium 3-carboxypropanoate,[NH4+].OC(=O)CCC(=O)[O-],[NH4+].OC(=O)CCC(=O)[O-],"InChI=1/C4H6O4.H3N/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H3",C4H6O4.xH3N,,,,,,ZBALFGIGLVIXBV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.110,241-937-7,18026-71-6,"1,1-dichloro-N,N,1-trimethylsilylamine","1,1-dichloro-N,N,1-trimethylsilanamine",CN(C)[Si](C)(Cl)Cl,CN(C)[Si](C)(Cl)Cl,"InChI=1/C3H9Cl2NSi/c1-6(2)7(3,4)5/h1-3H3",C3H9Cl2NSi,,,,,,LDRRQFQYUUDDLH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.111,241-938-2,18026-87-4,"1,1,1-trichloro-2,2,2-trimethyldisilane","1,1,1-trichloro-2,2,2-trimethyldisilane",C[Si](C)(C)[Si](Cl)(Cl)Cl,C[Si](C)(C)[Si](Cl)(Cl)Cl,"InChI=1/C3H9Cl3Si2/c1-7(2,3)8(4,5)6/h1-3H3",C3H9Cl3Si2,,,,,,TXEDGTTUEVJNPE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.118,241-946-6,18037-63-3,Sodium m-[[4-[(4-hydroxy-m-tolyl)azo]-3-methoxyphenyl]azo]benzenesulphonate,sodium 3-({4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methoxyphenyl}diazenyl)benzenesulfonate,[Na+].COc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,[Na+].COc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,"InChI=1/C20H18N4O5S.Na/c1-13-10-15(7-9-19(13)25)23-24-18-8-6-16(12-20(18)29-2)22-21-14-4-3-5-17(11-14)30(26,27)28;/h3-12,25H,1-2H3,(H,26,27,28);/q;+1/p-1",C20H18N4O5S.Na,,,,,,QCSGCRNTKFFEPD-UHFFFAOYSA-M,,,,,,,,,,,
100.033.003,236-318-3,13296-94-1,2-bromo-4-nitroaniline,2-bromo-4-nitroaniline,Nc1ccc(cc1Br)[N+](=O)[O-],Nc1ccc(cc1Br)[N+](=O)[O-],"InChI=1/C6H5BrN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2",C6H5BrN2O2,,,,,,CGPPWNTVTNCHDO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.015,236-331-4,13307-05-6,"1-chloro-N,N,N',N',N'',N''-hexamethylsilanetriamine","1-chloro-N,N,N',N',N'',N''-hexamethylsilanetriamine",CN(C)[Si](Cl)(N(C)C)N(C)C,CN(C)[Si](Cl)(N(C)C)N(C)C,"InChI=1/C6H18ClN3Si/c1-8(2)11(7,9(3)4)10(5)6/h1-6H3",C6H18ClN3Si,,,,,,YLZCZVGQEADVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.016,236-333-5,13307-34-1,a-methylbicyclo[2.2.1]hept-5-ene-2-methanol,1-bicyclo[2.2.1]hept-5-en-2-ylethanol,CC(O)C1CC2CC1C=C2,CC(O)C1CC2CC1C=C2,"InChI=1/C9H14O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,6-10H,4-5H2,1H3",C9H14O,,,,,,OVEARCWULHSQDS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.025,236-342-4,13313-45-6,3-(methylthio)-N-phenylaniline,3-(methylsulfanyl)-N-phenylaniline,CSc1cccc(Nc2ccccc2)c1,CSc1cccc(Nc2ccccc2)c1,"InChI=1/C13H13NS/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3",C13H13NS,,,,,,NGTRZJDYCCOXBA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.027,236-345-0,13314-85-7,2-methyl-1H-indol-5-ol,2-methyl-1H-indol-5-ol,Cc1cc2cc(O)ccc2[nH]1,Cc1cc2cc(O)ccc2[nH]1,"InChI=1/C9H9NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,10-11H,1H3",C9H9NO,,,,,,MDWJZBVEVLTXDE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.030,236-348-7,13317-11-8,"1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid","7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid",Cc1ccc2C(=O)C(=CNc2n1)C(=O)O,Cc1ccc2C(=O)C(=CNc2n1)C(=O)O,"InChI=1/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)",C10H8N2O3,,,,,,WHJTTWIMQIGVJK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.646,239-227-7,15177-62-5,trans-2-methylcyclohexanecarboxylic acid,2-methylcyclohexanecarboxylic acid,C[C@H]1CCCC[C@@H]1C(=O)O,C[C@H]1CCCC[C@@H]1C(=O)O,"InChI=1/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)",C8H14O2,,,,,,VSKXJRZPVDLHFY-BQBZGAKWSA-N,,,,,,,,,,,
100.044.765,249-257-2,28821-18-3,7-(ethylamino)-4-methyl-2-benzopyrone,7-(ethylamino)-4-methyl-2H-chromen-2-one,CCNc1ccc2C(=CC(=O)Oc2c1)C,CCNc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C12H13NO2/c1-3-13-9-4-5-10-8(2)6-12(14)15-11(10)7-9/h4-7,13H,3H2,1-2H3",C12H13NO2,,,,,,OTNIKUTWXUODJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.767,249-259-3,28822-58-4,"3,7-dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione","3-isobutyl-1-methyl-3,9-dihydro-1H-purine-2,6-dione",CC(C)CN1C(=O)N(C)C(=O)c2nc[nH]c12,CC(C)CN1C(=O)N(C)C(=O)c2nc[nH]c12,"InChI=1/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)",C10H14N4O2,,,,,,APIXJSLKIYYUKG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.769,249-261-4,28824-94-4,5-methyl-2-phenyl-1H-imidazole-4-carboxylic acid,4-methyl-2-phenyl-1H-imidazole-5-carboxylic acid,Cc1nc([nH]c1C(=O)O)c2ccccc2,Cc1nc([nH]c1C(=O)O)c2ccccc2,"InChI=1/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)",C11H10N2O2,,,,,,NEDPOZZCAYIDNP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.770,249-263-5,28832-11-3,"2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate","2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium acetate",CCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-],CCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-],"InChI=1/C22H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h25H,2-21H2,1H3;1H3,(H,3,4)",C22H44N2O.C2H4O2,,,,,,KFLYRIQQUDKDNM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.773,249-266-1,28839-13-6,"ß,4-dimethylcyclohex-3-ene-1-ethyl acetate",2-(4-methylcyclohex-3-en-1-yl)propyl acetate,CC(COC(=O)C)C1CCC(=CC1)C,CC(COC(=O)C)C1CCC(=CC1)C,"InChI=1/C12H20O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3",C12H20O2,,,,,,QUHIXSUMNSRNNP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.240,244-280-4,21218-11-1,"(1a,3ß,5ß,7a)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane","3,8,8-trimethyl-4-oxatricyclo[5.1.0.0~3,5~]octane",CC1(C)C2CC3OC3(C)CC12,CC1(C)C2CC3OC3(C)CC12,"InChI=1/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,AGHSZSJVJPSERC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.243,244-284-6,21236-74-8,"a2-piperidino-2,4-xylenol",4-methyl-2-(piperidin-1-ylmethyl)phenol,Cc1ccc(O)c(CN2CCCCC2)c1,Cc1ccc(O)c(CN2CCCCC2)c1,"InChI=1/C13H19NO/c1-11-5-6-13(15)12(9-11)10-14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8,10H2,1H3",C13H19NO,,,,,,SMZFAZCVXCKGAC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.247,244-288-8,21245-01-2,Padimate,3-methylbutyl 4-(dimethylamino)benzoate,CC(C)CCOC(=O)c1ccc(cc1)N(C)C,CC(C)CCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C14H21NO2/c1-11(2)9-10-17-14(16)12-5-7-13(8-6-12)15(3)4/h5-8,11H,9-10H2,1-4H3",C14H21NO2,,,,,,OFSAUHSCHWRZKM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.882,246-086-5,24219-23-6,"1-[2-[N-ethyl-p-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl]pyridinium chloride","1-[2-(ethyl{4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)ethyl]pyridinium chloride",[Cl-].CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3nc(ns3)c4ccccc4,[Cl-].CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3nc(ns3)c4ccccc4,"InChI=1/C23H23N6S.ClH/c1-2-29(18-17-28-15-7-4-8-16-28)21-13-11-20(12-14-21)25-26-23-24-22(27-30-23)19-9-5-3-6-10-19;/h3-16H,2,17-18H2,1H3;1H/q+1;/p-1",C23H23N6S.Cl,,,,,,RAJUOBWEWIXUMN-UHFFFAOYSA-M,,,,,,,,,,,
100.041.883,246-087-0,24219-37-2,Dioctylmagnesium,dioctylmagnesium,CCCCCCCC[Mg]CCCCCCCC,CCCCCCCC[Mg]CCCCCCCC,"InChI=1/2C8H17.Mg/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;/rC16H34Mg/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34Mg,,,,,,QYDCSHQWDCFHOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.885,246-089-1,24221-19-0,"Sodium hydrogen 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulphonatophenyl]sulphonyl]salicylate","sodium hydrogen 5-[(2-{4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-sulfonatophenyl)sulfonyl]-2-hydroxybenzoate",[H+].[Na+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2N4/N=C(/C)C(=Cc3ccc(cc3)N(C)C)C4=O)S([O-])(=O)=O,[H+].[Na+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2N4/N=C(/C)C(=Cc3ccc(cc3)N(C)C)C4=O)S([O-])(=O)=O,"InChI=1/C26H23N3O9S2.Na.H2/c1-15-20(12-16-4-6-17(7-5-16)28(2)3)25(31)29(27-15)22-14-19(40(36,37)38)9-11-24(22)39(34,35)18-8-10-23(30)21(13-18)26(32)33;;/h4-14,30H,1-3H3,(H,32,33)(H,36,37,38);;1H/q;2*+1/p-2",C26H23N3O9S2.Na,,,,,,JGYGXICGUODKQB-UHFFFAOYSA-M,,,,,,,,,,,
100.041.892,246-097-5,24231-46-7,"4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid}",OS(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\\C=C\\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)O,OS(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)O,"InChI=1/C40H40N12O8S2/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50)",C40H40N12O8S2,,,,,,YGUMVDWOQQJBGA-VAWYXSNFSA-N,,,,,,,,,,,
100.041.896,246-102-0,24237-54-5,Tinoridine,"ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate",CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12,CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12,"InChI=1/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3",C17H20N2O2S,,,,,,PFENFDGYVLAFBR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.549,250-119-9,30304-41-7,Bis(dodecylphenyl) hydrogen dithiophosphate,"O,O-bis(4-dodecylphenyl) hydrogen dithiophosphate",CCCCCCCCCCCCc1ccc(OP(=S)(S)Oc2ccc(CCCCCCCCCCCC)cc2)cc1,CCCCCCCCCCCCc1ccc(OP(=S)(S)Oc2ccc(CCCCCCCCCCCC)cc2)cc1,"InChI=1/C36H59O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-33-25-29-35(30-26-33)37-39(40,41)38-36-31-27-34(28-32-36)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3,(H,40,41)",C36H59O2PS2,,,,,,KIHVMOUITFPOEI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.551,250-122-5,30306-93-5,"Ethyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",2-(2-ethoxy-2-oxoethyl)-2-hydroxysuccinic acid,CCOC(=O)CC(O)(CC(=O)O)C(=O)O,CCOC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C8H12O7/c1-2-15-6(11)4-8(14,7(12)13)3-5(9)10/h14H,2-4H2,1H3,(H,9,10)(H,12,13)",C8H12O7,,,,,,OMPIYDSYGYKWSG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.552,250-123-0,30310-22-6,2-bromo-4-methylpentane,2-bromo-4-methylpentane,CC(C)CC(C)Br,CC(C)CC(C)Br,"InChI=1/C6H13Br/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3",C6H13Br,,,,,,IUXIOXCOPJFKMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.553,250-124-6,30310-41-9,Tetrahydro-2-methyl-4-methylene-6-phenyl-2H-pyran,2-methyl-4-methylene-6-phenyltetrahydro-2H-pyran,CC1CC(=C)CC(O1)c2ccccc2,CC1CC(=C)CC(O1)c2ccccc2,"InChI=1/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3",C13H16O,,,,,,GXXCNAPXUOUUFX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.556,250-127-2,30315-49-2,"3-(1,1-dimethylethyl)-2-phenyloxazolidine-5-methanol","(3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl)methanol",CC(C)(C)N1CC(CO)OC1c2ccccc2,CC(C)(C)N1CC(CO)OC1c2ccccc2,"InChI=1/C14H21NO2/c1-14(2,3)15-9-12(10-16)17-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3",C14H21NO2,,,,,,JERBWURCWWHQBK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.557,250-128-8,30319-05-2,3-bromo-2-methylthiophene,3-bromo-2-methylthiophene,Cc1sccc1Br,Cc1sccc1Br,"InChI=1/C5H5BrS/c1-4-5(6)2-3-7-4/h2-3H,1H3",C5H5BrS,,,,,,DFTNCGRDYHINDS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.559,250-130-9,30320-27-5,"1,1,1,2,4,5,5,5-octafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pent-2-ene","1,1,1,2,4,5,5,5-octafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pent-2-ene",FC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,FC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C9F18/c10-2(5(13,14)15)1(3(11,6(16,17)18)7(19,20)21)4(12,8(22,23)24)9(25,26)27",C9F18,,,,,,YUWXSBNSEVVXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.564,250-136-1,30342-63-3,"Octyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","octyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,CCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C8H19O4P.C6H15NO3/c1-2-3-4-5-6-7-8-12-13(9,10)11;8-4-1-7(2-5-9)3-6-10/h2-8H2,1H3,(H2,9,10,11);8-10H,1-6H2",C8H19O4P.C6H15NO3,,,,,,QEWABYCCMMQIHS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.566,250-138-2,30345-28-9,"2-amino-3,9-dihydro-3-hydroxy-9-methyl-6H-purin-6-one","2-amino-3-hydroxy-9-methyl-3,9-dihydro-6H-purin-6-one",Cn1cnc2C(=O)N=C(N)N(O)c12,Cn1cnc2C(=O)N=C(N)N(O)c12,"InChI=1/C6H7N5O2/c1-10-2-8-3-4(12)9-6(7)11(13)5(3)10/h2,13H,1H3,(H2,7,9,12)",C6H7N5O2,,,,,,YMTGEOSREYBIRL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.658,246-940-7,25395-22-6,2-carbamoylphenoxyacetic acid,(2-carbamoylphenoxy)acetic acid,NC(=O)c1ccccc1OCC(=O)O,NC(=O)c1ccccc1OCC(=O)O,"InChI=1/C9H9NO4/c10-9(13)6-3-1-2-4-7(6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)",C9H9NO4,,,,,,RLISWLLILOTWGG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.663,246-945-4,25399-74-0,"Succinic acid, compound with L-lysine (1:1)",L-lysine succinate,NCCCC[C@H](N)C(=O)O.OC(=O)CCC(=O)O,NCCCC[C@H](N)C(=O)O.OC(=O)CCC(=O)O,"InChI=1/C6H14N2O2.C4H6O4/c7-4-2-1-3-5(8)6(9)10;5-3(6)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);1-2H2,(H,5,6)(H,7,8)",C6H14N2O2.C4H6O4,,,,,,BOFNEFKSMURYOG-JEDNCBNOSA-N,,,,,,,,,,,
100.042.664,246-947-5,25401-86-9,o-hexadecylphenol,2-hexadecylphenol,CCCCCCCCCCCCCCCCc1ccccc1O,CCCCCCCCCCCCCCCCc1ccccc1O,"InChI=1/C22H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)23/h16-17,19-20,23H,2-15,18H2,1H3",C22H38O,,,,,,HMWIHOZPGQRZLR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.666,246-949-6,25408-95-1,Ethyl ß-hydroxyfuran-2-propionate,ethyl 3-(2-furyl)-3-hydroxypropanoate,CCOC(=O)CC(O)c1occc1,CCOC(=O)CC(O)c1occc1,"InChI=1/C9H12O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5,7,10H,2,6H2,1H3",C9H12O4,,,,,,RGJQSVMOPGCGFV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.667,246-950-1,25409-08-9,2-ethylidenehexanal,2-ethylidenehexanal,CC=C(CCCC)C=O,CC=C(CCCC)C=O,"InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3",C8H14O,,,,,,RAPHJZMCZKGDSB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.671,246-954-3,25415-62-7,Pentyl isovalerate,pentyl 3-methylbutanoate,CCCCCOC(=O)CC(C)C,CCCCCOC(=O)CC(C)C,"InChI=1/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3",C10H20O2,,,,,,QURFFFCYNQXLCU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.674,246-958-5,25415-77-4,Isopentyl 2-butenoate,3-methylbutyl but-2-enoate,CC(C)CCOC(=O)C=CC,CC(C)CCOC(=O)C=CC,"InChI=1/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h4-5,8H,6-7H2,1-3H3",C9H16O2,,,,,,JAVOYFHBJFLMRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.249,244-290-9,21245-08-9,Methylenebis(dioctylphosphine) oxide,[(dioctylphosphino)methyl](dioctyl)phosphine oxide,CCCCCCCCP(CCCCCCCC)CP(=O)(CCCCCCCC)CCCCCCCC,CCCCCCCCP(CCCCCCCC)CP(=O)(CCCCCCCC)CCCCCCCC,"InChI=1/C33H70OP2/c1-5-9-13-17-21-25-29-35(30-26-22-18-14-10-6-2)33-36(34,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-33H2,1-4H3",C33H70O2P2,,,,,,LUZWNCFGBPVDHU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.875,246-078-1,24209-38-9,(6R-trans)-7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,Cn1nnnc1SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O,Cn1nnnc1SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O,"InChI=1/C10H12N6O3S2/c1-15-10(12-13-14-15)21-3-4-2-20-8-5(11)7(17)16(8)6(4)9(18)19/h5,8H,2-3,11H2,1H3,(H,18,19)",C10H12N6O3S2,,,,,,XUTQHTOXGKVJPN-XNCJUZBTSA-N,,,,,,,,,,,
100.041.876,246-079-7,24209-43-6,"(6R-trans)-7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nncs3,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nncs3,"InChI=1/C10H10N4O3S3/c11-5-7(15)14-6(9(16)17)4(1-18-8(5)14)2-19-10-13-12-3-20-10/h3,5,8H,1-2,11H2,(H,16,17)",C10H10N4O3S3,,,,,,OBZPELDGSNYFTD-XNCJUZBTSA-N,,,,,,,,,,,
100.041.877,246-080-2,24211-30-1,"(S)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone","5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one",Cc1c(O)c(C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3,Cc1c(O)c(C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3,"InChI=1/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3",C17H16O5,,,,,,DYHOLQACRGJEHX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.887,246-091-2,24222-12-6,Ethyl cis-3-methyl-3-isobutyloxirane-2-carboxylate,ethyl 3-isobutyl-3-methyloxirane-2-carboxylate,CCOC(=O)[C@H]1O[C@@]1(C)CC(C)C,CCOC(=O)[C@H]1O[C@@]1(C)CC(C)C,"InChI=1/C10H18O3/c1-5-12-9(11)8-10(4,13-8)6-7(2)3/h7-8H,5-6H2,1-4H3",C10H18O3,,,,,,PUIUZWMTQGBAIE-SCZZXKLOSA-N,,,,,,,,,,,
100.041.889,246-093-3,24225-08-9,Methanesulphonyl cyanide,methanesulfonyl cyanide,CS(=O)(=O)C#N,CS(=O)(=O)C#N,"InChI=1/C2H3NO2S/c1-6(4,5)2-3/h1H3",C2H3NO2S,,,,,,QEIOAAJCOKZGDV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.891,246-095-4,24229-53-6,"N2-(2-aminoethyl)-N1,N1-dimethylethylenediamine","N'-(2-aminoethyl)-N,N-dimethylethane-1,2-diamine",CN(C)CCNCCN,CN(C)CCNCCN,"InChI=1/C6H17N3/c1-9(2)6-5-8-4-3-7/h8H,3-7H2,1-2H3",C6H17N3,,,,,,HLTMVWQXGLNLCU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.893,246-098-0,24237-00-1,"6-butyl-3,6-dihydro-2,4-dimethyl-2H-pyran","6-butyl-2,4-dimethyl-3,6-dihydro-2H-pyran",CCCCC1OC(C)CC(=C1)C,CCCCC1OC(C)CC(=C1)C,"InChI=1/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h8,10-11H,4-7H2,1-3H3",C11H20O,,,,,,OSMLMQQJZVENMX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.895,246-101-5,24237-02-3,2-butyltetrahydro-6-methyl-4-methylene-2H-pyran,2-butyl-6-methyl-4-methylenetetrahydro-2H-pyran,CCCCC1CC(=C)CC(C)O1,CCCCC1CC(=C)CC(C)O1,"InChI=1/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h10-11H,2,4-8H2,1,3H3",C11H20O,,,,,,XPOKALKENSYQGX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.510,245-677-5,23466-27-5,Ethyl 1-methylpyrrole-2-carboxylate,ethyl 1-methyl-1H-pyrrole-2-carboxylate,CCOC(=O)c1cccn1C,CCOC(=O)c1cccn1C,"InChI=1/C8H11NO2/c1-3-11-8(10)7-5-4-6-9(7)2/h4-6H,3H2,1-2H3",C8H11NO2,,,,,,IIKHONWHFIKUQV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.517,245-684-3,23482-33-9,Ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate,ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate,CCOC(=O)N1CCC(O)(CC1)c2ccc(Cl)cc2,CCOC(=O)N1CCC(O)(CC1)c2ccc(Cl)cc2,"InChI=1/C14H18ClNO3/c1-2-19-13(17)16-9-7-14(18,8-10-16)11-3-5-12(15)6-4-11/h3-6,18H,2,7-10H2,1H3",C14H18ClNO3,,,,,,CURANEYLIZSJBL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.523,245-691-1,23491-52-3,"2'-(4'-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bis-1H-benzimidazole trihydrochloride trihydrate","2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazole",CCOc1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6,CCOc1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6,"InChI=1/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)",C27H28N6O,,,,,,PRDFBSVERLRRMY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.528,245-696-9,23500-13-2,1-(1-oxobutyl)-L-proline,1-butyryl-L-proline,CCCC(=O)N1CCC[C@H]1C(=O)O,CCCC(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C9H15NO3/c1-2-4-8(11)10-6-3-5-7(10)9(12)13/h7H,2-6H2,1H3,(H,12,13)",C9H15NO3,,,,,,PNRXXKVCHJXHPZ-ZETCQYMHSA-N,,,,,,,,,,,
100.041.529,245-697-4,23500-79-0,"6-tert-butyl-3-(chloromethyl)-2,4-xylenol","6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol",Cc1cc(c(O)c(C)c1CCl)C(C)(C)C,Cc1cc(c(O)c(C)c1CCl)C(C)(C)C,"InChI=1/C13H19ClO/c1-8-6-11(13(3,4)5)12(15)9(2)10(8)7-14/h6,15H,7H2,1-5H3",C13H19ClO,,,,,,WODZSHMAILHEGD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.648,239-229-8,15180-03-7,Alcuronium chloride,"1,12-diallyl-23,26-bis(2-hydroxyethylidene)-1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-19aH,20bH-1,21:10,12-diethanodipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole-1,12-diium dichloride",[Cl-].[Cl-].C=CC[N@+]65CC[C@@]48c1ccccc1N7/C=C9/[C@H]2C[C@@H]%11[N@@+](CC2=CCO)(CC=C)CC[C@@]%11%10c3ccccc3N(/C=C(/[C@@H](C[C@@H]45)C(=CCO)C6)[C@H]78)[C@@H]9%10,[Cl-].[Cl-].C=CC[N@+]65CC[C@@]48c1ccccc1N7/C=C9/[C@H]2C[C@@H]%11[N@@+](CC2=CCO)(CC=C)CC[C@@]%11%10c3ccccc3N(/C=C(/[C@@H](C[C@@H]45)C(=CCO)C6)[C@H]78)[C@@H]9%10,"InChI=1/C44H50N4O2.2ClH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2",C44H50N4O2.2Cl,,,,,,CPYGBGOXCJJJGC-OZKUIDDVSA-L,,,,,,,,,,,
100.035.650,239-231-9,15182-67-9,"1,2-dihydro-1-(o-methoxyphenyl)-5H-tetrazole-5-thione","1-(2-methoxyphenyl)-1,2-dihydro-5H-tetrazole-5-thione",COc1ccccc1N2NN=NC2=S,COc1ccccc1N2NN=NC2=S,"InChI=1/C8H8N4OS/c1-13-7-5-3-2-4-6(7)12-8(14)9-10-11-12/h2-5H,1H3,(H,9,11,14)",C8H8N4OS,,,,,,JCCAUOFIVYLQMS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.656,239-238-7,15188-09-7,Tris(tert-butyldioxy)vinylsilane,[tris(tert-butylperoxy)vinyl]silane,CC(C)(C)OOC(=C(OOC(C)(C)C)OOC(C)(C)C)[SiH3],CC(C)(C)OOC(=C(OOC(C)(C)C)OOC(C)(C)C)[SiH3],"InChI=1/C14H30O6Si/c1-12(2,3)18-15-10(16-19-13(4,5)6)11(21)17-20-14(7,8)9/h1-9,21H3",C14H30O6Si,,,,,,NGHUVDUUMVXKTA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.658,239-240-8,15188-91-7,"Tris(heptane-3,5-dionato-O,O')cobalt",cobalt(3+) tris(5-oxohept-3-en-3-olate),CCC(=O)C=C(CC)O[Co](OC(=CC(=O)CC)CC)OC(=CC(=O)CC)CC,CCC(=O)C=C(CC)O[Co](OC(=CC(=O)CC)CC)OC(=CC(=O)CC)CC,"InChI=1/3C7H12O2.Co/c3*1-3-6(8)5-7(9)4-2;/h3*5,8H,3-4H2,1-2H3;/q;;;+3/p-3",C21H33CoO6,,,,,,FBBFPHLYGHXIFI-UHFFFAOYSA-K,,,,,,,,,,,
100.035.667,239-250-2,15191-80-7,Dicopper pyrophosphate,-,[Cu+].[Cu+].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Cu+].[Cu+].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/2Cu.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-4",Cu.1/2H4O7P2,,,,,,PDIXBMZMDAIPCN-UHFFFAOYSA-J,,,,,,,,,,,
100.035.671,239-254-4,15198-52-4,"1'-benzylspiro[isoquinoline-1(2H),4'-piperidine]-3(4H)-one hydrochloride","1'-benzyl-2H-spiro[isoquinoline-1,4'-piperidin]-3(4H)-one hydrochloride",Cl.O=C1Cc2ccccc2C3(CCN(Cc4ccccc4)CC3)N1,Cl.O=C1Cc2ccccc2C3(CCN(Cc4ccccc4)CC3)N1,"InChI=1/C20H22N2O.ClH/c23-19-14-17-8-4-5-9-18(17)20(21-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16;/h1-9H,10-15H2,(H,21,23);1H",C20H22N2O.ClH,,,,,,PKMDLIJWPLFOHG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.673,239-257-0,15199-43-6,Di[(2H3)methyl] sulphate,dimethyl sulfate,COS(=O)(=O)OC,COS(=O)(=O)OC,"InChI=1/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3",C2D6O4S,,,,,,VAYGXNSJCAHWJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.675,239-259-1,15205-15-9,2-chloro-6-fluorobenzylamine,1-(2-chloro-6-fluorophenyl)methanamine,NCc1c(F)cccc1Cl,NCc1c(F)cccc1Cl,"InChI=1/C7H7ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2",C7H7ClFN,,,,,,GVULSXIBCHPJEH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.679,239-263-3,15206-55-0,Methyl benzoylformate,methyl oxo(phenyl)acetate,COC(=O)C(=O)c1ccccc1,COC(=O)C(=O)c1ccccc1,"InChI=1/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3",C9H8O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16435,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.679,YLHXLHGIAMFFBU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.682,239-267-5,15210-87-4,N-hexylacetoacetamide,N-hexyl-3-oxobutanamide,CCCCCCNC(=O)CC(=O)C,CCCCCCNC(=O)CC(=O)C,"InChI=1/C10H19NO2/c1-3-4-5-6-7-11-10(13)8-9(2)12/h3-8H2,1-2H3,(H,11,13)",C10H19NO2,,,,,,WKUJTXURFXTQIY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.497,242-362-4,18479-58-8,"2,6-dimethyloct-7-en-2-ol","2,6-dimethyloct-7-en-2-ol",CC(CCCC(C)(C)O)C=C,CC(CCCC(C)(C)O)C=C,"InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3",C10H20O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15832,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.497,XSNQECSCDATQEL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.498,242-364-5,18479-59-9,2-methyl-6-methyleneoctan-2-ol,2-methyl-6-methyleneoctan-2-ol,CCC(=C)CCCC(C)(C)O,CCC(=C)CCCC(C)(C)O,"InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h11H,2,5-8H2,1,3-4H3",C10H20O,,,,,,VOATZOQREKBJMT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.642,235-922-4,13048-34-5,"1,10-decanediyl diacrylate","decane-1,10-diyl bisacrylate",C=CC(=O)OCCCCCCCCCCOC(=O)C=C,C=CC(=O)OCCCCCCCCCCOC(=O)C=C,"InChI=1/C16H26O4/c1-3-15(17)19-13-11-9-7-5-6-8-10-12-14-20-16(18)4-2/h3-4H,1-2,5-14H2",C16H26O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16327,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.642,RHNJVKIVSXGYBD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.644,235-925-0,13049-01-9,Propyl aminoacetate hydrochloride,propyl glycinate hydrochloride,Cl.CCCOC(=O)CN,Cl.CCCOC(=O)CN,"InChI=1/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H",C5H11NO2.ClH,,,,,,YDBMNSABUROTEK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.650,235-931-3,13051-60-0,"cis-2,3-divinyloxirane","2,3-divinyloxirane",C=C[C@H]1O[C@H]1C=C,C=C[C@H]1O[C@H]1C=C,"InChI=1/C6H8O/c1-3-5-6(4-2)7-5/h3-6H,1-2H2",C6H8O,,,,,,WVLXAFYCRVAZSM-OLQVQODUSA-N,,,,,,,,,,,
100.032.656,235-938-1,13052-19-2,N-(hydroxymethyl)formamide,N-(hydroxymethyl)formamide,OCNC=O,OCNC=O,"InChI=1/C2H5NO2/c4-1-3-2-5/h1,5H,2H2,(H,3,4)",C2H5NO2,,,,,,MNQOPPDTVHYCEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.021,239-640-2,15578-50-4,Trithorium tetrakis(phosphate),trithorium tetrakis(phosphate),[Th+2].[Th+2].[Th+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Th+2].[Th+2].[Th+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/4H3O4P.3Th/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+2/p-12",H3O4P.3/4Th,,,,,,XVLNQEYWQCJFRI-UHFFFAOYSA-B,,,,,,,,,,,
100.039.865,243-868-8,20543-09-3,1-(2-chloroethoxy)-4-nonylbenzene,1-(2-chloroethoxy)-4-nonylbenzene,CCCCCCCCCc1ccc(OCCCl)cc1,CCCCCCCCCc1ccc(OCCCl)cc1,"InChI=1/C17H27ClO/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13H,2-9,14-15H2,1H3",C17H27ClO,,,,,,OBCNFGRCVPJZEP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.868,243-871-4,20546-03-6,"6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonic acid","6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonic acid",OS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,OS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,"InChI=1/C10H6N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5H,(H,14,15,16)",C10H6N2O4S,,,,,,BNWKXMCELVEAPW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.870,243-874-0,20555-91-3,"1,2-dichloro-4-iodobenzene","1,2-dichloro-4-iodobenzene",Clc1ccc(I)cc1Cl,Clc1ccc(I)cc1Cl,InChI=1/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H,C6H3Cl2I,,,,,,NADPFZNWCQIJJW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.872,243-876-1,20559-05-1,Retinyl pivalate,"O~15~-(2,2-dimethylpropanoyl)retinoic acid",C\\C(=C/C=C/C(=C/C(=O)OC(=O)C(C)(C)C)/C)\\C=C\\C1=C(C)CCCC1(C)C,C\C(=C/C=C/C(=C/C(=O)OC(=O)C(C)(C)C)/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C25H36O3/c1-18(14-15-21-20(3)13-10-16-25(21,7)8)11-9-12-19(2)17-22(26)28-23(27)24(4,5)6/h9,11-12,14-15,17H,10,13,16H2,1-8H3",C25H38O2,,,,,,JDDHKPUXAFLVMW-JPYACPPYSA-N,,,,,,,,,,,
100.039.873,243-877-7,20559-55-1,Oxibendazole,methyl (5-propoxy-1H-benzimidazol-2-yl)carbamate,CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1,CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1,"InChI=1/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",C12H15N3O3,,,,,,RAOCRURYZCVHMG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.500,245-666-5,23451-62-9,Dimethylprop-2-ynylsulphonium bromide,dimethyl(prop-2-yn-1-yl)sulfonium bromide,[Br-].C[S+](C)CC#C,[Br-].C[S+](C)CC#C,"InChI=1/C5H9S.BrH/c1-4-5-6(2)3;/h1H,5H2,2-3H3;1H/q+1;/p-1",C5H9S.Br,,,,,,WUHKVBHEWPBWAS-UHFFFAOYSA-M,,,,,,,,,,,
100.041.501,245-667-0,23451-66-3,1-chloro-3-(methylthio)propan-2-ol,1-chloro-3-(methylsulfanyl)propan-2-ol,CSCC(O)CCl,CSCC(O)CCl,"InChI=1/C4H9ClOS/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3",C4H9ClOS,,,,,,IIFURGVYJWZDRN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.504,245-670-7,23455-88-1,"m-[[[(3-heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino]carbonyl]amino]benzenesulphonyl fluoride","3-{[(3-heptadecyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)carbamoyl]amino}benzenesulfonyl fluoride",CCCCCCCCCCCCCCCCCC1=NNC(=S)N1NC(=O)Nc2cccc(c2)S(=O)(=O)F,CCCCCCCCCCCCCCCCCC1=NNC(=S)N1NC(=O)Nc2cccc(c2)S(=O)(=O)F,"InChI=1/C26H42FN5O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-29-30-26(36)32(24)31-25(33)28-22-18-17-19-23(21-22)37(27,34)35/h17-19,21H,2-16,20H2,1H3,(H,30,36)(H2,28,31,33)",C26H42FN5O3S2,,,,,,PTXRDRHMHUOBAH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.513,245-680-1,23476-71-3,"2-morpholinoethyl 2-(a,a,a-trifluoro-m-toluidino)nicotinate monohydrochloride",2-morpholin-4-ylethyl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate hydrochloride,Cl.FC(F)(F)c1cccc(Nc2ncccc2C(=O)OCCN3CCOCC3)c1,Cl.FC(F)(F)c1cccc(Nc2ncccc2C(=O)OCCN3CCOCC3)c1,"InChI=1/C19H20F3N3O3.ClH/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25;/h1-6,13H,7-12H2,(H,23,24);1H",C19H20F3N3O3.ClH,,,,,,FYBLYUCJZSTSKR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.518,245-685-9,23482-34-0,Ethyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate,ethyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate,CCOC(=O)N1CCC(O)(CC1)c2cccc(c2)C(F)(F)F,CCOC(=O)N1CCC(O)(CC1)c2cccc(c2)C(F)(F)F,"InChI=1/C15H18F3NO3/c1-2-22-13(20)19-8-6-14(21,7-9-19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,21H,2,6-9H2,1H3",C15H18F3NO3,,,,,,GKXBDEHOLDJPBP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.520,245-688-5,23488-38-2,"2,3,5,6-tetrabromo-p-xylene","1,2,4,5-tetrabromo-3,6-dimethylbenzene",Cc1c(Br)c(Br)c(C)c(Br)c1Br,Cc1c(Br)c(Br)c(C)c(Br)c1Br,InChI=1/C8H6Br4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3,C8H6Br4,,,,,,RXKOKVQKECXYOT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.521,245-689-0,23491-44-3,p-(5-(5-(4-methylpiperazin-1-yl)benzimidazol-2-yl)benzimidazol-2-yl)phenol,"4-[5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazol-2'-yl]phenol",CN1CCN(CC1)C2=CC3=NC(=C4C=CC5=NC(=NC5=C4)c6ccc(O)cc6)N=C3C=C2,CN1CCN(CC1)C2=CC3=NC(=C4C=CC5=NC(=NC5=C4)c6ccc(O)cc6)N=C3C=C2,"InChI=1/C25H22N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3",C25H24N6O,,,,,,DUMVHMQPWKUTSG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.522,245-690-6,23491-45-4,"p-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]phenol trihydrochloride","4-[5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazol-2'-yl]phenol trihydrochloride",Cl.Cl.Cl.CN1CCN(CC1)C2=CC3=NC(=C4C=CC5=NC(=NC5=C4)c6ccc(O)cc6)N=C3C=C2,Cl.Cl.Cl.CN1CCN(CC1)C2=CC3=NC(=C4C=CC5=NC(=NC5=C4)c6ccc(O)cc6)N=C3C=C2,"InChI=1/C25H22N6O.3ClH/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16;;;/h2-9,14-15,32H,10-13H2,1H3;3*1H",C25H24N6O.3ClH,,,,,,XWCFXEWIPVRWFD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.531,245-700-9,23501-93-1,m-(dimethylamino)benzyl alcohol,[3-(dimethylamino)phenyl]methanol,CN(C)c1cccc(CO)c1,CN(C)c1cccc(CO)c1,"InChI=1/C9H13NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-6,11H,7H2,1-2H3",C9H13NO,,,,,,YTUXZVSDDHCTBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.675,246-959-0,25415-84-3,2-ethylhexyl butyrate,2-ethylhexyl butyrate,CCCCC(CC)COC(=O)CCC,CCCCC(CC)COC(=O)CCC,"InChI=1/C12H24O2/c1-4-7-9-11(6-3)10-14-12(13)8-5-2/h11H,4-10H2,1-3H3",C12H24O2,,,,,,LFEQNZNCKDNGRM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.676,246-960-6,25417-20-3,Sodium dibutylnaphthalenesulphonate,"sodium 2,3-dibutylnaphthalene-1-sulfonate",[Na+].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-],[Na+].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-],"InChI=1/C18H24O3S.Na/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;+1/p-1",C18H24O3S.Na,,,,,,KZOJQMWTKJDSQJ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.678,246-962-7,25418-93-3,Lanthanum(3+) sebacate,lanthanum(3+) sebacate,[La+3].[La+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],[La+3].[La+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/3C10H18O4.2La/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6",C10H18O4.2/3La,,,,,,ODWHIBGTQAEGDN-UHFFFAOYSA-H,,,,,,,,,,,
100.042.683,246-967-4,25422-83-7,"3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one","3,4-dihydroxy-2-(2-methylbutanoyl)-5-(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one",CCC(C)C(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C,CCC(C)C(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C,"InChI=1/C21H30O5/c1-7-14(6)18(23)17-19(24)15(10-8-12(2)3)21(26,20(17)25)16(22)11-9-13(4)5/h8-9,14-15,25-26H,7,10-11H2,1-6H3",C21H30O5,,,,,,QHRQNLXYMFCGPB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.687,246-972-1,25425-73-4,Sodium 2-ethylhexyl phthalate,sodium 2-{[(2-ethylhexyl)oxy]carbonyl}benzoate,[Na+].CCCCC(CC)COC(=O)c1ccccc1C(=O)[O-],[Na+].CCCCC(CC)COC(=O)c1ccccc1C(=O)[O-],"InChI=1/C16H22O4.Na/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18;/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18);/q;+1/p-1",C16H22O4.Na,,,,,,DPMIZJBYANAORK-UHFFFAOYSA-M,,,,,,,,,,,
100.042.688,246-973-7,25428-43-7,"(R*,R*)-(±)-a,4-dimethyl-a-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol",6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol,CC(=CCCC(C)(O)C1CCC(=CC1)C)C,CC(=CCCC(C)(O)C1CCC(=CC1)C)C,"InChI=1/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3",C15H26O,,,,,,RGZSQWQPBWRIAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.689,246-974-2,25429-29-2,"Pentachloro[1,1'-biphenyl]","2,2',3,3',4-pentachlorobiphenyl",Clc1ccc(c(Cl)c1Cl)c2cccc(Cl)c2Cl,Clc1ccc(c(Cl)c1Cl)c2cccc(Cl)c2Cl,InChI=1/C12H5Cl5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5H,C12H5Cl5,,,,,,AUGNBQPSMWGAJE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.694,246-980-5,25436-07-1,Trimethylsilyl trichloroacetate,trimethylsilyl trichloroacetate,C[Si](C)(C)OC(=O)C(Cl)(Cl)Cl,C[Si](C)(C)OC(=O)C(Cl)(Cl)Cl,"InChI=1/C5H9Cl3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3",C5H9Cl3O2Si,,,,,,HAIZQIKYAKUOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.491,250-056-7,30113-45-2,3-(isodecyloxy)propylamine,3-[(8-methylnonyl)oxy]propan-1-amine,CC(C)CCCCCCCOCCCN,CC(C)CCCCCCCOCCCN,"InChI=1/C13H29NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3",C13H29NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11968,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.491,DHIBIUNZWFPELU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.497,250-063-5,30125-47-4,"3,4,5,6-tetrachloro-N-[2-(4,5,6,7-tetrachloro-2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-8-quinolyl]phthalimide","4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-8-yl]-1H-isoindole-1,3(2H)-dione",Clc1c(Cl)c(Cl)c2C(=O)C(C(=O)c2c1Cl)c3ccc4cccc(N5C(=O)c6c(Cl)c(Cl)c(Cl)c(Cl)c6C5=O)c4n3,Clc1c(Cl)c(Cl)c2C(=O)C(C(=O)c2c1Cl)c3ccc4cccc(N5C(=O)c6c(Cl)c(Cl)c(Cl)c(Cl)c6C5=O)c4n3,"InChI=1/C26H6Cl8N2O4/c27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29/h1-5,9H",C26H6Cl8N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12783,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.497,ZEHOVWPIGREOPO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.376,244-429-3,21539-58-2,Sodium N-methyl-N-(1-oxododecyl)-ß-alaninate,sodium 3-[dodecanoyl(methyl)amino]propanoate,[Na+].CCCCCCCCCCCC(=O)N(C)CCC(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N(C)CCC(=O)[O-],"InChI=1/C16H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-15(18)17(2)14-13-16(19)20;/h3-14H2,1-2H3,(H,19,20);/q;+1/p-1",C16H31NO3.Na,,,,,,LOBXNKKFDKXXQW-UHFFFAOYSA-M,,,,,,,,,,,
100.040.378,244-431-4,21540-35-2,"1,1-dimethyl-3-m-tolylthiourea","1,1-dimethyl-3-(3-methylphenyl)thiourea",CN(C)C(=S)Nc1cccc(C)c1,CN(C)C(=S)Nc1cccc(C)c1,"InChI=1/C10H14N2S/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)",C10H14N2S,,,,,,MMCJEAKINANSOL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.379,244-433-5,21542-96-1,"N,N-dimethyldocosylamine","N,N-dimethyldocosan-1-amine",CCCCCCCCCCCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCCCCCCCCCN(C)C,"InChI=1/C24H51N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3/h4-24H2,1-3H3",C24H51N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14147,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.379,ICZKASVWFUJTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.385,244-439-8,21550-30-1,[6-(hydroxymethyl)-2-pyridyl]methyl 2-(4-chlorophenoxy)-2-methylpropionate hydrochloride,[6-(hydroxymethyl)pyridin-2-yl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate hydrochloride,Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccc(CO)n2,Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccc(CO)n2,"InChI=1/C17H18ClNO4.ClH/c1-17(2,23-15-8-6-12(18)7-9-15)16(21)22-11-14-5-3-4-13(10-20)19-14;/h3-9,20H,10-11H2,1-2H3;1H",C17H18ClNO4.ClH,,,,,,XVHPKZBGSLSNOT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.530,245-699-5,23501-81-7,"2,4-dioxo-1,3-diazetidine-1,3-bis(hexamethylene) diisocyanate","1,3-bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione",O=C=NCCCCCCN1C(=O)N(CCCCCCN=C=O)C1=O,O=C=NCCCCCCN1C(=O)N(CCCCCCN=C=O)C1=O,InChI=1/C16H24N4O4/c21-13-17-9-5-1-3-7-11-19-15(23)20(16(19)24)12-8-4-2-6-10-18-14-22/h1-12H2,C16H24N4O4,,,,,,ZIZJPRKHEXCVLL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.533,245-703-5,23504-03-2,4-isopropylresorcinol,"4-isopropylbenzene-1,3-diol",CC(C)c1ccc(O)cc1O,CC(C)c1ccc(O)cc1O,"InChI=1/C9H12O2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,10-11H,1-2H3",C9H12O2,,,,,,LNFVQIGQENWZQN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.495,247-861-0,26635-64-3,Isooctane,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,CC(C)CC(C)(C)C,"InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",C8H18,,,,,,NHTMVDHEPJAVLT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.499,247-865-2,26638-53-9,"3-chloro-6-methyl-dibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide","3-chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide",CN1c2ccccc2C(=O)c3ccc(Cl)cc3S1(=O)=O,CN1c2ccccc2C(=O)c3ccc(Cl)cc3S1(=O)=O,"InChI=1/C14H10ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8H,1H3",C14H10ClNO3S,,,,,,RGOFXWXKWORKIP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.250,249-791-6,29707-60-6,"(1a,2ß,4ß)-2-chloro-1-(isopropyl)-4-methylcyclohexane",2-chloro-1-isopropyl-4-methylcyclohexane,CC(C)[C@H]1CC[C@H](C)C[C@@H]1Cl,CC(C)[C@H]1CC[C@H](C)C[C@@H]1Cl,"InChI=1/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3",C10H19Cl,,,,,,OMLOJNNKKPNVKN-AEJSXWLSSA-N,,,,,,,,,,,
100.045.258,249-800-3,29711-79-3,"4-isothiocyanato-N,N-dimethylnaphthalen-1-amine","4-isothiocyanato-N,N-dimethylnaphthalen-1-amine",CN(C)c1ccc(N=C=S)c2ccccc12,CN(C)c1ccc(N=C=S)c2ccccc12,"InChI=1/C13H12N2S/c1-15(2)13-8-7-12(14-9-16)10-5-3-4-6-11(10)13/h3-8H,1-2H3",C13H12N2S,,,,,,SMZHGTXTWIAKGS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.260,249-802-4,29712-30-9,[(dimethylamino)methylene]bisphosphonic acid,[(dimethylamino)methylene]bis(phosphonic acid),CN(C)C(P(=O)(O)O)P(=O)(O)O,CN(C)C(P(=O)(O)O)P(=O)(O)O,"InChI=1/C3H11NO6P2/c1-4(2)3(11(5,6)7)12(8,9)10/h3H,1-2H3,(H2,5,6,7)(H2,8,9,10)",C3H11NO6P2,,,,,,BFDMEODWJJUORJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.276,249-820-2,29736-75-2,"2,5,7,10,11,14-hexaoxa-1,6-distibabicyclo[4.4.4]tetradecane","2,5,7,10,11,14-hexaoxa-1,6-distibabicyclo[4.4.4]tetradecane",C1CO[Sb]2OCCO[Sb](OCCO2)O1,C1CO[Sb]2OCCO[Sb](OCCO2)O1,InChI=1/3C2H4O2.2Sb/c3*3-1-2-4;;/h3*1-2H2;;/q3*-2;2*+3/rC6H12O6Sb2/c1-2-8-14-11-5-3-9-13(7-1)10-4-6-12-14/h1-6H2,C6H12O6Sb2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13268,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.276,JEPVJCOLPSALKN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.277,249-821-8,29743-08-6,4-butyl-N-[(4-ethoxybenzylidene]aniline,4-butyl-N-(4-ethoxybenzylidene)aniline,CCCCc1ccc(cc1)N=Cc2ccc(OCC)cc2,CCCCc1ccc(cc1)N=Cc2ccc(OCC)cc2,"InChI=1/C19H23NO/c1-3-5-6-16-7-11-18(12-8-16)20-15-17-9-13-19(14-10-17)21-4-2/h7-15H,3-6H2,1-2H3",C19H23NO,,,,,,DBOAVDSSZWDGTH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.278,249-822-3,29750-34-3,Ammonium hydrogen glutarate,ammonium hydrogen glutarate,[NH4+].[O-]C(=O)CCCC(=O)[O-],[NH4+].[O-]C(=O)CCCC(=O)[O-],"InChI=1/C5H8O4.H3N/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);1H3/p-1",C5H8O4.xH3N,,,,,,GKGYMXPRDRXIIL-UHFFFAOYSA-M,,,,,,,,,,,
100.045.280,249-824-4,29753-26-2,"1-(4-aminophenyl)-1H-pyrrole-2,5-dione","1-(4-aminophenyl)-1H-pyrrole-2,5-dione",Nc1ccc(cc1)N2C(=O)C=CC2=O,Nc1ccc(cc1)N2C(=O)C=CC2=O,"InChI=1/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2",C10H8N2O2,,,,,,XOPCHXSYQHXLHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.286,249-831-2,29767-20-2,Teniposide,"9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(2-thienylmethylene)-beta-D-glucopyranoside",COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5COC(O[C@H]5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27,COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5COC(O[C@H]5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27,"InChI=1/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3",C32H32O13S,,,,,,NRUKOCRGYNPUPR-NFIYYIGVSA-N,,,,,,,,,,,
100.044.777,249-270-3,28856-24-8,"1,2-diphenyl-1H-indole-3-ethylamine","2-(1,2-diphenyl-1H-indol-3-yl)ethanamine",NCCc1c(c2ccccc2)n(c3ccccc3)c4ccccc14,NCCc1c(c2ccccc2)n(c3ccccc3)c4ccccc14,"InChI=1/C22H20N2/c23-16-15-20-19-13-7-8-14-21(19)24(18-11-5-2-6-12-18)22(20)17-9-3-1-4-10-17/h1-14H,15-16,23H2",C22H20N2,,,,,,RUAJRKRPPGDWBK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.785,249-279-2,28875-47-0,"N,N-dibutyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine hydrochloride","N,N-dibutyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine hydrochloride",Cl.CCCCN(CCCC)CCNc1onc(n1)c2ccccc2,Cl.CCCCN(CCCC)CCNc1onc(n1)c2ccccc2,"InChI=1/C18H28N4O.ClH/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16;/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21);1H",C18H28N4O.xClH,,,,,,ZCEDBAQIHPGWNW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.791,249-286-0,28886-07-9,"4,4'-benzylidenebis(6-methyl-m-phenylene) tetraisocyanate","1,1'-(phenylmethylene)bis(2,4-diisocyanato-5-methylbenzene)",Cc1cc(C(c2ccccc2)c3cc(C)c(cc3N=C=O)N=C=O)c(cc1N=C=O)N=C=O,Cc1cc(C(c2ccccc2)c3cc(C)c(cc3N=C=O)N=C=O)c(cc1N=C=O)N=C=O,"InChI=1/C25H16N4O4/c1-16-8-19(23(28-14-32)10-21(16)26-12-30)25(18-6-4-3-5-7-18)20-9-17(2)22(27-13-31)11-24(20)29-15-33/h3-11,25H,1-2H3",C25H16N4O4,,,,,,OWQUXTJOSOUAFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.023,239-642-3,15582-80-6,Tris[2-mercaptoethyl] orthoborate,tris(2-sulfanylethyl) borate,SCCOB(OCCS)OCCS,SCCOB(OCCS)OCCS,"InChI=1/C6H15BO3S3/c11-4-1-8-7(9-2-5-12)10-3-6-13/h11-13H,1-6H2",C6H15BO3S3,,,,,,WWOWUKPIQFKJRO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.035,239-655-4,15590-60-0,Ammonium 2-ethylhexanoate,ammonium 2-ethylhexanoate,[NH4+].CCCCC(CC)C(=O)[O-],[NH4+].CCCCC(CC)C(=O)[O-],"InChI=1/C8H16O2.H3N/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);1H3",C8H16O2.H3N,,,,,,JQQFHYGWOCWHFI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.037,239-658-0,15591-70-5,Methyl 4-(indol-3-yl)butyrate,methyl 4-(1H-indol-3-yl)butanoate,COC(=O)CCCc1c[nH]c2ccccc12,COC(=O)CCCc1c[nH]c2ccccc12,"InChI=1/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3",C13H15NO2,,,,,,ZEJUFCOACOWDPP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.040,239-661-7,15592-33-3,"ß-d-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)ethanimidate], monopotassium salt",1-S-[N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose,CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O,CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O,"InChI=1/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)",C8H15NO9S2.K,,,,,,UBTOEGCOMHAXGV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.051,239-673-2,15594-90-8,Henicosanol,henicosan-1-ol,CCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C21H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h22H,2-21H2,1H3",C21H44O,,,,,,FIPPFBHCBUDBRR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.054,239-676-9,15596-27-7,D-mannitol hexanicotinate,"1,2,3,4,5,6-hexakis-O-(pyridin-3-ylcarbonyl)-D-mannitol",O=C(OC[C@@H](OC(=O)c1cccnc1)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c3cccnc3)[C@@H](COC(=O)c4cccnc4)OC(=O)c5cccnc5)c6cccnc6,O=C(OC[C@@H](OC(=O)c1cccnc1)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c3cccnc3)[C@@H](COC(=O)c4cccnc4)OC(=O)c5cccnc5)c6cccnc6,"InChI=1/C42H32N6O12/c49-37(27-7-1-13-43-19-27)55-25-33(57-39(51)29-9-3-15-45-21-29)35(59-41(53)31-11-5-17-47-23-31)36(60-42(54)32-12-6-18-48-24-32)34(58-40(52)30-10-4-16-46-22-30)26-56-38(50)28-8-2-14-44-20-28/h1-24,33-36H,25-26H2",C42H32N6O12,,,,,,IMRLNFKFNFLWQF-MGXDLYCJSA-N,,,,,,,,,,,
100.036.059,239-682-1,15600-08-5,5-a-cholestan-3-one,cholestan-3-one,CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,"InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3",C27H46O,,,,,,PESKGJQREUXSRR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.033,236-351-3,13318-19-9,"Hexahydro-1,3,5-tris[3-(oxiranylmethoxy)-1-oxopropyl]-1,3,5-triazine","1,3,5-tris[3-(oxiran-2-ylmethoxy)propanoyl]-1,3,5-triazinane",O=C(CCOCC1CO1)N2CN(CN(C2)C(=O)CCOCC3CO3)C(=O)CCOCC4CO4,O=C(CCOCC1CO1)N2CN(CN(C2)C(=O)CCOCC3CO3)C(=O)CCOCC4CO4,"InChI=1/C21H33N3O9/c25-19(1-4-28-7-16-10-31-16)22-13-23(20(26)2-5-29-8-17-11-32-17)15-24(14-22)21(27)3-6-30-9-18-12-33-18/h16-18H,1-15H2",C21H33N3O9,,,,,,HIILPLVHMVHXHX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.035,236-353-4,13320-31-5,(isopropylidene)bis(p-phenyleneoxyethylene) bis(ß-methylaziridine-1-propionate),"propane-2,2-diylbis(4,1-phenyleneoxyethane-2,1-diyl) bis(3-aziridin-1-ylbutanoate)",CC(CC(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)CC(C)N3CC3)cc2)N4CC4,CC(CC(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)CC(C)N3CC3)cc2)N4CC4,"InChI=1/C31H42N2O6/c1-23(32-13-14-32)21-29(34)38-19-17-36-27-9-5-25(6-10-27)31(3,4)26-7-11-28(12-8-26)37-18-20-39-30(35)22-24(2)33-15-16-33/h5-12,23-24H,13-22H2,1-4H3",C31H42N2O6,,,,,,JEBTVWVLWHTMOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.048,236-368-6,13327-32-7,Beryllium hydroxide,beryllium dihydroxide,[Be+2].[OH-].[OH-],[Be+2].[OH-].[OH-],InChI=1/Be.2H2O/h;2*1H2/q+2;;/p-2,BeH2O2,,,,,,WPJWIROQQFWMMK-UHFFFAOYSA-L,,,,,,,,,,,
100.033.050,236-370-7,13327-56-5,Ethyl 3-(methylthio)propionate,ethyl 3-(methylsulfanyl)propanoate,CCOC(=O)CCSC,CCOC(=O)CCSC,"InChI=1/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3",C6H12O2S,,,,,,YSNWHRKJEKWJNY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.052,236-372-8,13329-40-3,1-(4-iodophenyl)ethan-1-one,1-(4-iodophenyl)ethanone,CC(=O)c1ccc(I)cc1,CC(=O)c1ccc(I)cc1,"InChI=1/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",C8H7IO,,,,,,JZJWCDQGIPQBAO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.055,236-375-4,13329-69-6,"[[6-[(hydroxymethyl)amino]-1,3,5-triazine-2,4-diyl]dinitrilo]tetrakismethanol","({6-[(hydroxymethyl)amino]-1,3,5-triazine-2,4-diyl}dinitrilo)tetramethanol",OCNc1nc(nc(n1)N(CO)CO)N(CO)CO,OCNc1nc(nc(n1)N(CO)CO)N(CO)CO,"InChI=1/C8H16N6O5/c15-1-9-6-10-7(13(2-16)3-17)12-8(11-6)14(4-18)5-19/h15-19H,1-5H2,(H,9,10,11,12)",C8H16N6O5,,,,,,SYDYRFPJJJPJFE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.058,236-379-6,13329-78-7,"Decane-2,4-dione","decane-2,4-dione",CCCCCCC(=O)CC(=O)C,CCCCCCC(=O)CC(=O)C,"InChI=1/C10H18O2/c1-3-4-5-6-7-10(12)8-9(2)11/h3-8H2,1-2H3",C10H18O2,,,,,,WTVNFKVGGUWHQC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.060,236-381-7,13331-52-7,(acryloyloxy)tributylstannane,(acryloyloxy)(tributyl)stannane,CCCC[Sn](CCCC)(CCCC)OC(=O)C=C,CCCC[Sn](CCCC)(CCCC)OC(=O)C=C,"InChI=1/3C4H9.C3H4O2.Sn/c3*1-3-4-2;1-2-3(4)5;/h3*1,3-4H2,2H3;2H,1H2,(H,4,5);/q;;;;+1/p-1/rC15H30O2Sn/c1-5-9-12-18(13-10-6-2,14-11-7-3)17-15(16)8-4/h8H,4-7,9-14H2,1-3H3",C15H30O2Sn,,,,,,YSUXTNDMKYYZPR-UHFFFAOYSA-M,,,,,,,,,,,
100.043.491,247-856-3,26631-90-3,Brobactam,"6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O,"InChI=1/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)",C8H10BrNO3S,,,,,,DAVPSCAAXXVSFU-ALEPSDHESA-N,,,,,,,,,,,
100.043.496,247-862-6,26636-01-1,"Diisooctyl 2,2'-[(dimethylstannylene)bis(thio)]diacetate","6-methylheptyl 4,4,14-trimethyl-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate",CC(C)CCCCCOC(=O)CS[Sn](C)(C)SCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CS[Sn](C)(C)SCC(=O)OCCCCCC(C)C,"InChI=1/2C10H20O2S.2CH3.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2/rC22H44O4S2Sn/c1-19(2)13-9-7-11-15-25-21(23)17-27-29(5,6)28-18-22(24)26-16-12-8-10-14-20(3)4/h19-20H,7-18H2,1-6H3",C22H44O4S2Sn,,,,,,IRFPIPNMASANJY-UHFFFAOYSA-L,,,,,,,,,,,
100.045.252,249-793-7,29710-25-6,2-ethylhexyl 12-hydroxyoctadecanoate,2-ethylhexyl 12-hydroxyoctadecanoate,CCCCCCC(O)CCCCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCC(O)CCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C26H52O3/c1-4-7-9-16-20-25(27)21-17-14-12-10-11-13-15-18-22-26(28)29-23-24(6-3)19-8-5-2/h24-25,27H,4-23H2,1-3H3",C26H52O3,,,,,,GLCFQKXOQDQJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.254,249-795-8,29710-33-6,Tetradecyl heptanoate,tetradecyl heptanoate,CCCCCCCCCCCCCCOC(=O)CCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCC,"InChI=1/C21H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-23-21(22)19-17-8-6-4-2/h3-20H2,1-2H3",C21H42O2,,,,,,IRYILAALKRHYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.255,249-796-3,29710-34-7,Hexadecyl decanoate,hexadecyl decanoate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC,"InChI=1/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-28-26(27)24-22-20-18-10-8-6-4-2/h3-25H2,1-2H3",C26H52O2,,,,,,QICHMCRJUKQZRE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.257,249-798-4,29711-19-1,Methyl 2-isopentyl-3-oxocyclopentaneacetate,methyl [2-(3-methylbutyl)-3-oxocyclopentyl]acetate,COC(=O)CC1CCC(=O)C1CCC(C)C,COC(=O)CC1CCC(=O)C1CCC(C)C,"InChI=1/C13H22O3/c1-9(2)4-6-11-10(5-7-12(11)14)8-13(15)16-3/h9-11H,4-8H2,1-3H3",C13H22O3,,,,,,DGSQNDBKBFKKOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.263,249-806-6,29716-44-7,Tris(chloroethyl) phosphate,tris(1-chloroethyl) phosphate,CC(Cl)OP(=O)(OC(C)Cl)OC(C)Cl,CC(Cl)OP(=O)(OC(C)Cl)OC(C)Cl,"InChI=1/C6H12Cl3O4P/c1-4(7)11-14(10,12-5(2)8)13-6(3)9/h4-6H,1-3H3",C6H12Cl3O4P,,,,,,DMUDPMBKQJNINF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.268,249-811-3,29726-01-0,"Sodium 2,6-dichlorophenolate","sodium 2,6-dichlorophenolate",[Na+].[O-]c1c(Cl)cccc1Cl,[Na+].[O-]c1c(Cl)cccc1Cl,"InChI=1/C6H4Cl2O.Na/c7-4-2-1-3-5(8)6(4)9;/h1-3,9H;/q;+1/p-1",C6H4Cl2O.Na,,,,,,DFTXUFCGJGLWFN-UHFFFAOYSA-M,,,,,,,,,,,
100.045.270,249-813-4,29728-27-6,Ammonium glycinate,ammonium aminoacetate,[NH4+].NCC(=O)[O-],[NH4+].NCC(=O)[O-],"InChI=1/C2H5NO2.H3N/c3-1-2(4)5;/h1,3H2,(H,4,5);1H3",C2H5NO2.H3N,,,,,,FDIWRLNJDKKDHB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.776,249-269-8,28855-27-8,(dodecylmethylbenzyl)trimethylammonium chloride,"N,N,N-trimethyl(2-tridecylphenyl)methanaminium chloride",[Cl-].CCCCCCCCCCCCCc1ccccc1C[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCc1ccccc1C[N+](C)(C)C,"InChI=1/C23H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24(2,3)4;/h16-17,19-20H,5-15,18,21H2,1-4H3;1H/q+1;/p-1",C23H42N.Cl,,,,,,CAONSVXWYFOHDJ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.779,249-272-4,28865-36-3,1-[bis(2-hydroxyethyl)amino]hexadecan-2-ol N-oxide,1-[bis(2-hydroxyethyl)nitroryl]hexadecan-2-ol,CCCCCCCCCCCCCCC(O)CN(=O)(CCO)CCO,CCCCCCCCCCCCCCC(O)CN(=O)(CCO)CCO,"InChI=1/C20H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-21(25,15-17-22)16-18-23/h20,22-24H,2-19H2,1H3",C20H43NO4,,,,,,OQFIKFNCZGUAHE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.781,249-275-0,28868-76-0,Dimethyl chloromalonate,dimethyl chloromalonate,COC(=O)C(Cl)C(=O)OC,COC(=O)C(Cl)C(=O)OC,"InChI=1/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3",C5H7ClO4,,,,,,LNBQBURECUEBKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.784,249-278-7,28874-52-4,(R)-1-[(phosphonooxy)methyl]ethylene dimyristate,"3-(phosphonooxy)propane-1,2-diyl ditetradecanoate",CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC,"InChI=1/C31H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)",C31H61O8P,,,,,,OZSITQMWYBNPMW-GDLZYMKVSA-N,,,,,,,,,,,
100.044.786,249-280-8,28878-99-1,Diphenyl isononyl phosphinate,diphenyl (7-methyloctyl)phosphonate,CC(C)CCCCCCP(=O)(Oc1ccccc1)Oc2ccccc2,CC(C)CCCCCCP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C21H29O3P/c1-19(2)13-7-3-4-12-18-25(22,23-20-14-8-5-9-15-20)24-21-16-10-6-11-17-21/h5-6,8-11,14-17,19H,3-4,7,12-13,18H2,1-2H3",C21H29O3P,,,,,,TUGVGUUUPWVRJR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.793,249-288-1,28888-44-0,"6,7-dimethoxyquinazoline-2,4(1H,3H)-dione","6,7-dimethoxyquinazoline-2,4(1H,3H)-dione",COc1cc2NC(=O)NC(=O)c2cc1OC,COc1cc2NC(=O)NC(=O)c2cc1OC,"InChI=1/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)",C10H10N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18671,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.793,KWNQIIMVPSMYEM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.386,244-440-3,21552-84-1,"8-amino-9,10-dihydro-9,10-dioxoanthracenesulphonic acid","8-amino-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid",Nc1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)O,Nc1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)O,"InChI=1/C14H9NO5S/c15-9-5-1-3-7-11(9)14(17)12-8(13(7)16)4-2-6-10(12)21(18,19)20/h1-6H,15H2,(H,18,19,20)",C14H9NO5S,,,,,,UEZJOQCWOFDUOR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.391,244-446-6,21564-91-0,"1,2,3,4-tetrahydro-1,5-dimethylnaphthalene","1,5-dimethyl-1,2,3,4-tetrahydronaphthalene",CC1CCCc2c(C)cccc12,CC1CCCc2c(C)cccc12,"InChI=1/C12H16/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3,5,8,10H,4,6-7H2,1-2H3",C12H16,,,,,,BMADLDGHUBLVMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.392,244-447-1,21565-22-0,"N-(2,4-dinitrophenyl)-2,4,6-trinitroaniline","N-(2,4-dinitrophenyl)-2,4,6-trinitroaniline",[O-][N+](=O)c1ccc(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C12H6N6O10/c19-14(20)6-1-2-8(9(3-6)16(23)24)13-12-10(17(25)26)4-7(15(21)22)5-11(12)18(27)28/h1-5,13H",C12H6N6O10,,,,,,VSGCEWSTFLCCNI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.398,244-453-4,21579-78-2,"2-(4-methylpiperazin-1-yl)-1,1-diphenylethanol","2-(4-methylpiperazin-1-yl)-1,1-diphenylethanol",CN1CCN(CC(O)(c2ccccc2)c3ccccc3)CC1,CN1CCN(CC(O)(c2ccccc2)c3ccccc3)CC1,"InChI=1/C19H24N2O/c1-20-12-14-21(15-13-20)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,22H,12-16H2,1H3",C19H24N2O,,,,,,BNYKNAMROLCQRS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.373,246-627-5,25111-96-0,"4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[4-(dimethylamino)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CN(C)c1ccc(cc1)C=C3C(\\C)=N/N(c2ccccc2)C3=O,CN(C)c1ccc(cc1)C=C3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3",C19H19N3O,,,,,,YJCRUYAVDCDVCD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.009,248-425-2,27354-18-3,1-[(1-methylethyl)amino]anthraquinone,"1-(isopropylamino)-9,10-anthraquinone",CC(C)Nc1cccc2C(=O)c3ccccc3C(=O)c12,CC(C)Nc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H15NO2/c1-10(2)18-14-9-5-8-13-15(14)17(20)12-7-4-3-6-11(12)16(13)19/h3-10,18H,1-2H3",C17H15NO2,,,,,,ATIYVSUEHXWMKF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.012,248-428-9,27361-16-6,Butyl 2-pyridyl ether,2-butoxypyridine,CCCCOc1ccccn1,CCCCOc1ccccn1,"InChI=1/C9H13NO/c1-2-3-8-11-9-6-4-5-7-10-9/h4-7H,2-3,8H2,1H3",C9H13NO,,,,,,OFLSKXBALZCMCX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.015,248-432-0,27373-57-5,N-octyl-ß-alanine,N-octyl-beta-alanine,CCCCCCCCNCCC(=O)O,CCCCCCCCNCCC(=O)O,"InChI=1/C11H23NO2/c1-2-3-4-5-6-7-9-12-10-8-11(13)14/h12H,2-10H2,1H3,(H,13,14)",C11H23NO2,,,,,,CZOIUKWGJCDTGF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.021,248-438-3,27387-87-7,"3-(3,5-dichlorophenyl)imidazolidine-2,4-dione","3-(3,5-dichlorophenyl)imidazolidine-2,4-dione",Clc1cc(Cl)cc(c1)N2C(=O)CNC2=O,Clc1cc(Cl)cc(c1)N2C(=O)CNC2=O,"InChI=1/C9H6Cl2N2O2/c10-5-1-6(11)3-7(2-5)13-8(14)4-12-9(13)15/h1-3H,4H2,(H,12,15)",C9H6Cl2N2O2,,,,,,OGCORJSEYZKHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.037,248-456-1,27431-62-5,"N,N-diethylbutane-1,4-diamine","N,N-diethylbutane-1,4-diamine",CCN(CC)CCCCN,CCN(CC)CCCCN,"InChI=1/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3",C8H20N2,,,,,,JILXUIANNUALRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.573,250-146-6,30360-19-1,"N,N'-diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine","N~2~,N~4~-diethyl-N~6~-isopropyl-1,3,5-triazine-2,4,6-triamine",CCNc1nc(NCC)nc(NC(C)C)n1,CCNc1nc(NCC)nc(NC(C)C)n1,"InChI=1/C10H20N6/c1-5-11-8-14-9(12-6-2)16-10(15-8)13-7(3)4/h7H,5-6H2,1-4H3,(H3,11,12,13,14,15,16)",C10H20N6,,,,,,ANCXQLFAWHZRLK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.579,250-152-9,30367-05-6,1-hydroxy-N-[3-(morpholino)propyl]naphthalene-2-carboxamide,1-hydroxy-N-(3-morpholin-4-ylpropyl)-2-naphthamide,Oc1c(ccc2ccccc12)C(=O)NCCCN3CCOCC3,Oc1c(ccc2ccccc12)C(=O)NCCCN3CCOCC3,"InChI=1/C18H22N2O3/c21-17-15-5-2-1-4-14(15)6-7-16(17)18(22)19-8-3-9-20-10-12-23-13-11-20/h1-2,4-7,21H,3,8-13H2,(H,19,22)",C18H22N2O3,,,,,,JJEAHXPPYZKVHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.586,250-160-2,30377-62-9,N-ethyl-2-nitro-4-(trifluoromethyl)aniline,N-ethyl-2-nitro-4-(trifluoromethyl)aniline,CCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F,CCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F,"InChI=1/C9H9F3N2O2/c1-2-13-7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5,13H,2H2,1H3",C9H9F3N2O2,,,,,,XGYBRXYMSSZKPY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.589,250-163-9,30377-70-9,"Hydrogen 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-3-ethyl-1-(sulphonatopropyl)-6-(trifluoromethyl)-1h-benzimidazolium","hydrogen 1-[5-chloro-2-{3-[5-chloro-3-ethyl-1-(3-sulfonatopropyl)-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-en-1-yl}-3-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-1-ium-1-yl]propane-1-sulfonate",[H+].[O-]S(=O)(=O)C(CC)[NH+]4c1cc(c(Cl)cc1N(CC)C4C=CC=C3N(CC)c2cc(Cl)c(cc2N3CCCS([O-])(=O)=O)C(F)(F)F)C(F)(F)F,[H+].[O-]S(=O)(=O)C(CC)[NH+]4c1cc(c(Cl)cc1N(CC)C4C=CC=C3N(CC)c2cc(Cl)c(cc2N3CCCS([O-])(=O)=O)C(F)(F)F)C(F)(F)F,"InChI=1/C29H32Cl2F6N4O6S2.H2/c1-4-27(49(45,46)47)41-24-14-18(29(35,36)37)20(31)16-23(24)39(6-3)26(41)10-7-9-25-38(5-2)22-15-19(30)17(28(32,33)34)13-21(22)40(25)11-8-12-48(42,43)44;/h7,9-10,13-16,26-27H,4-6,8,11-12H2,1-3H3,(H,42,43,44)(H,45,46,47);1H/q;+1/p-1",C29H30Cl2F6N4O6S2,,,,,,ZJPRHJYYBNGUEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.799,249-294-4,28897-58-7,2-methylhex-2-enoic acid,2-methylhex-2-enoic acid,CC(=CCCC)C(O)=O,CC(=CCCC)C(O)=O,"InChI=1/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)",C7H12O2,,,,,,AKOVMBAFZSPEQU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.800,249-296-5,28899-75-4,7-chloro-1H-indole-2-carboxylic acid,7-chloro-1H-indole-2-carboxylic acid,OC(=O)c1cc2cccc(Cl)c2[nH]1,OC(=O)c1cc2cccc(Cl)c2[nH]1,"InChI=1/C9H6ClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)",C9H6ClNO2,,,,,,NVKAHBFPKVINGE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.803,249-299-1,28901-77-1,Dibutyl dihydrogen diphosphate,dibutyl dihydrogen diphosphate,CCCCOP(=O)(O)OP(=O)(O)OCCCC,CCCCOP(=O)(O)OP(=O)(O)OCCCC,"InChI=1/C8H20O7P2/c1-3-5-7-13-16(9,10)15-17(11,12)14-8-6-4-2/h3-8H2,1-2H3,(H,9,10)(H,11,12)",C8H20O7P2,,,,,,IIVCGGJCVPWXHR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.805,249-301-0,28904-29-2,"Butyl dihydrogen benzene-1,2,4-tricarboxylate",4-(butoxycarbonyl)isophthalic acid,CCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O,CCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O,"InChI=1/C13H14O6/c1-2-3-6-19-13(18)9-5-4-8(11(14)15)7-10(9)12(16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H,16,17)",C13H14O6,,,,,,GCDUOFOLOZOBSV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.806,249-302-6,28905-44-4,"Sorbitan, didodecanoate","3,6-anhydro-1,2-di-O-dodecanoylhexitol",CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)C1OCC(O)C1O,CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)C1OCC(O)C1O,"InChI=1/C30H56O7/c1-3-5-7-9-11-13-15-17-19-21-27(32)35-24-26(30-29(34)25(31)23-36-30)37-28(33)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-31,34H,3-24H2,1-2H3",C30H56O7,,,,,,DMCPZDAVVMKAJS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.809,249-305-2,28907-86-0,Sodium 7-(4-aminoanilino)-4-hydroxynaphthalene-2-sulphonate,sodium 7-[(4-aminophenyl)amino]-4-hydroxynaphthalene-2-sulfonate,[Na+].Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1,[Na+].Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1,"InChI=1/C16H14N2O4S.Na/c17-11-1-3-12(4-2-11)18-13-5-6-15-10(7-13)8-14(9-16(15)19)23(20,21)22;/h1-9,18-19H,17H2,(H,20,21,22);/q;+1/p-1",C16H14N2O4S.Na,,,,,,SZUCWICPXQIRGV-UHFFFAOYSA-M,,,,,,,,,,,
100.044.812,249-308-9,28912-93-8,Naphthalene-1-diazonium tetrafluoroborate,naphthalene-1-diazonium tetrafluoroborate,F[B-](F)(F)F.N#[N+]c1cccc2ccccc12,F[B-](F)(F)F.N#[N+]c1cccc2ccccc12,"InChI=1/C10H7N2.BF4/c11-12-10-7-3-5-8-4-1-2-6-9(8)10;2-1(3,4)5/h1-7H;/q+1;-1",C10H7N2.BF4,,,,,,OBKNNDFYPUVJOP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.819,249-316-2,28925-00-0,1-cyclododecylethan-1-one,1-cyclododecylethanone,CC(=O)C1CCCCCCCCCCC1,CC(=O)C1CCCCCCCCCCC1,"InChI=1/C14H26O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3",C14H26O,,,,,,FTPUBZGARRXJIM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.822,249-319-9,28932-22-1,"Dihydro-1,4,5,8-tetrahydroxyanthraquinone","1,4,5,8-tetrahydroxy-4a,9a-dihydroanthracene-9,10-dione",OC1=CC=C(O)C2C1C(=O)c3c(O)ccc(O)c3C2=O,OC1=CC=C(O)C2C1C(=O)c3c(O)ccc(O)c3C2=O,"InChI=1/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,9-10,15-18H",C14H10O6,,,,,,GXPRZZBMSUFMFM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.900,246-106-2,24239-35-8,"Tetrasodium 4,4'-bis[4-(p-sulphonatophenyl)-2H-1,2,3-triazol-2-yl]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis{5-[4-(4-sulfonatophenyl)-2H-1,2,3-triazol-2-yl]benzenesulfonate}",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2cnn(n2)c3ccc(\\C=C\\c4ccc(cc4S(=O)(=O)[O-])n5ncc(n5)c6ccc(cc6)S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2cnn(n2)c3ccc(\C=C\c4ccc(cc4S(=O)(=O)[O-])n5ncc(n5)c6ccc(cc6)S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-],"InChI=1/C30H22N6O12S4.4Na/c37-49(38,39)25-11-5-19(6-12-25)27-17-31-35(33-27)23-9-3-21(29(15-23)51(43,44)45)1-2-22-4-10-24(16-30(22)52(46,47)48)36-32-18-28(34-36)20-7-13-26(14-8-20)50(40,41)42;;;;/h1-18H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4",C30H22N6O12S4.4Na,,,,,,BUZGSYSEJPGACH-MBCFVHIPSA-J,,,,,,,,,,,
100.041.901,246-107-8,24245-27-0,"N,N'-diphenylguanidine monohydrochloride","1,3-diphenylguanidine hydrochloride",Cl.N=C(Nc1ccccc1)Nc2ccccc2,Cl.N=C(Nc1ccccc1)Nc2ccccc2,"InChI=1/C13H13N3.ClH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H",C13H13N3.ClH,,,,,,IEDHGYYAGIASNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.903,246-109-9,24256-56-2,Monosodium triaqua[[hydrogen -3-hydroxy-4-[[5-hydroxy-3-methyl-1-(m-sulphophenyl)pyrazol-4-yl]azo]naphthalene-1-sulphonato](3-)]chromium,"mu-(4-{[2-(hydroxy-2kappaO)-4-(sulfo-2kappaO)-1-naphthyl]diazenyl}-3-methyl-5-oxo-1-[3-(sulfo-2kappaO)phenyl]-4,5-dihydro-1H-pyrazol-4-yl-1kappaC~4~)sodiumchromium",CC1=NN2C(=O)C1([Na])N=Nc3c4O[Cr](OS(=O)(=O)c5cccc2c5)OS(=O)(=O)c(c4)c6ccccc36,CC1=NN2C(=O)C1([Na])N=Nc3c4O[Cr](OS(=O)(=O)c5cccc2c5)OS(=O)(=O)c(c4)c6ccccc36,"InChI=1/C20H15N4O8S2.Cr.Na/c1-11-18(20(26)24(23-11)12-5-4-6-13(9-12)33(27,28)29)21-22-19-15-8-3-2-7-14(15)17(10-16(19)25)34(30,31)32;;/h2-10,25H,1H3,(H,27,28,29)(H,30,31,32);;/q;+3;/p-3/rC20H12CrN4NaO8S2/c1-11-20(26)19(27)25(23-11)12-5-4-6-13(9-12)35(28,29)33-21-32-16-10-17(36(30,31)34-21)14-7-2-3-8-15(14)18(16)22-24-20/h2-10H,1H3",C20H18CrN4O11S2.Na,,,,,,RYXLALMZSDKMNH-UHFFFAOYSA-K,,,,,,,,,,,
100.033.062,236-383-8,13332-20-2,cis-4-methylcyclohexyl acetate,4-methylcyclohexyl acetate,C[C@@H]1CC[C@@H](CC1)OC(=O)C,C[C@@H]1CC[C@@H](CC1)OC(=O)C,"InChI=1/C9H16O2/c1-7-3-5-9(6-4-7)11-8(2)10/h7,9H,3-6H2,1-2H3",C9H16O2,,,,,,VJBFCCCTSQEGMH-OTSSQURYSA-N,,,,,,,,,,,
100.033.065,236-386-4,13335-73-4,"3,4-xylyloxyacetic acid","(3,4-dimethylphenoxy)acetic acid",Cc1ccc(OCC(=O)O)cc1C,Cc1ccc(OCC(=O)O)cc1C,"InChI=1/C10H12O3/c1-7-3-4-9(5-8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",C10H12O3,,,,,,GIEQJKZWTIFEJM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.068,236-390-6,13341-72-5,"5,6,7,7a-tetrahydro-3,6-dimethyl-(4H)-benzofuran-2-one","3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one",CC1CCC2=C(C)C(=O)OC2C1,CC1CCC2=C(C)C(=O)OC2C1,"InChI=1/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3",C10H14O2,,,,,,VUVQBYIJRDUVHT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.072,236-394-8,13347-41-6,2-[(diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate,2-(diisopropylamino)ethyl 9H-xanthene-9-carboxylate,CC(C)N(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,CC(C)N(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,"InChI=1/C22H27NO3/c1-15(2)23(16(3)4)13-14-25-22(24)21-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)21/h5-12,15-16,21H,13-14H2,1-4H3",C22H27NO3,,,,,,SKMKGLSIZVBHQB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.077,236-400-9,13351-61-6,"2,2-dimethyl-3-phenylpropanol","2,2-dimethyl-3-phenylpropan-1-ol",CC(C)(CO)Cc1ccccc1,CC(C)(CO)Cc1ccccc1,"InChI=1/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3",C11H16O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17098,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.077,VNGAHMPMLRTSLF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.078,236-401-4,13351-73-0,1-methyl-1H-benzotriazole,1-methyl-1H-benzotriazole,Cn1nnc2ccccc12,Cn1nnc2ccccc12,"InChI=1/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3",C7H7N3,,,,,,HXQHRUJXQJEGER-UHFFFAOYSA-N,Positive,AU224001|AU224002|AU224003|AU224004|AU224005;EQ279801|EQ279802|EQ279803|EQ279804|EQ279805|EQ279806|EQ279807|EQ279808|EQ279809;ETS00115,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCDscaled 80 (m/z=200) to 110 (m/z=120),134.0716:135.0745|134.0716:135.0746:133.0633|134.0714:133.0632:135.0744|134.0714:133.063:117.0447|133.063:134.071;134.0714:72.0444:56.0495|134.0712:72.0444:56.0495|72.0444:134.0714:56.0495|72.0444:134.0716:56.0495|72.0445:79.0542:56.0496|79.0543:72.0444:56.0495|95.0492:79.0543:105.0448|51.023:95.0491:105.0449|51.023:95.0492:105.0447;134.0706:91.0409:77.0378,Athens_Univ;Eawag;Eawag_Additional_Specs2,,,,,
100.033.080,236-404-0,13354-35-3,1-(phenylthio)anthraquinone,"1-(phenylsulfanyl)-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Sc4ccccc4)cccc13,O=C1c2ccccc2C(=O)c3c(Sc4ccccc4)cccc13,InChI=1/C20H12O2S/c21-19-14-9-4-5-10-15(14)20(22)18-16(19)11-6-12-17(18)23-13-7-2-1-3-8-13/h1-12H,C20H12O2S,,,,,,FPRGJFFNVANESG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.689,239-274-3,15224-25-6,3-benzoylindole,1H-indol-3-yl(phenyl)methanone,O=C(c1ccccc1)c2c[nH]c3ccccc23,O=C(c1ccccc1)c2c[nH]c3ccccc23,"InChI=1/C15H11NO/c17-15(11-6-2-1-3-7-11)13-10-16-14-9-5-4-8-12(13)14/h1-10,16H",C15H11NO,,,,,,ADHQLIGSIQGNBW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.690,239-275-9,15225-85-1,Copper bis(piperidine-1-carbodithioate),copper(2+) dipiperidine-1-carbodithioate,[Cu+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1,[Cu+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1,"InChI=1/2C6H11NS2.Cu/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2",C12H20CuN2S4,,,,,,DZOKXBOZNWVYRN-UHFFFAOYSA-L,,,,,,,,,,,
100.035.702,239-289-5,15245-12-2,"Nitric acid, ammonium calcium salt",-,[NH4+].[Ca+2].[O-][N+](=O)[O-],[NH4+].[Ca+2].[O-][N+](=O)[O-],InChI=1/Ca.NO3.H3N/c;2-1(3)4;/h;;1H3/q+2;-1;/p+1,Ca.xH3N.xHNO3,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15075,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.702,ODWUWCGCBFIGKX-UHFFFAOYSA-O,,,,,,,,,,,
100.035.706,239-293-7,15251-48-6,"2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt, [4S-(4a,4aa,5a,5aa,6ß,12aa)]-","4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4C3(C)O,CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4C3(C)O,"InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)",C22H24N2O9.xCa,,,,,,IWVCMVBTMGNXQD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.709,239-296-3,15257-81-5,1-(4-fluorobenzoyl)aziridine,1-(4-fluorobenzoyl)aziridine,Fc1ccc(cc1)C(=O)N2CC2,Fc1ccc(cc1)C(=O)N2CC2,"InChI=1/C9H8FNO/c10-8-3-1-7(2-4-8)9(12)11-5-6-11/h1-4H,5-6H2",C9H8FNO,,,,,,WJMOWGFGRONZPA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.710,239-297-9,15258-01-2,N-(2-chloroethyl)-p-fluorobenzamide,N-(2-chloroethyl)-4-fluorobenzamide,Fc1ccc(cc1)C(=O)NCCCl,Fc1ccc(cc1)C(=O)NCCCl,"InChI=1/C9H9ClFNO/c10-5-6-12-9(13)7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)",C9H9ClFNO,,,,,,GVQSSTGJCFQQCH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.715,239-304-5,15260-10-3,O-benzyl-N-tert-butoxycarbonyl-L-threonine,O-benzyl-N-(tert-butoxycarbonyl)-L-threonine,CC(OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O,CC(OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)",C16H23NO5,,,,,,CTXPLTPDOISPTE-YUZLPWPTSA-N,,,,,,,,,,,
100.035.718,239-307-1,15262-86-9,17ß-hydroxyandrost-4-ene-3-one 4-methylvalerate,3-oxoandrost-4-en-17-yl 4-methylpentanoate,CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3",C25H38O3,,,,,,PPYHLSBUTAPNGT-BKWLFHPQSA-N,,,,,,,,,,,
100.035.723,239-312-9,15268-40-3,"N-docosylpropane-1,3-diamine","N-docosylpropane-1,3-diamine",CCCCCCCCCCCCCCCCCCCCCCNCCCN,CCCCCCCCCCCCCCCCCCCCCCNCCCN,"InChI=1/C25H54N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25-22-23-26/h27H,2-26H2,1H3",C25H54N2,,,,,,BIWCZXIHIQDFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.794,249-289-7,28888-79-1,"Triphenyl [(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6-methyl-3,1-phenylene)]tricarbamate","triphenyl [(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tris(6-methyl-3,1-phenylene)]triscarbamate",Cc1ccc(cc1NC(=O)Oc2ccccc2)N3C(=O)N(C(=O)N(C3=O)c4ccc(C)c(NC(=O)Oc5ccccc5)c4)c6ccc(C)c(NC(=O)Oc7ccccc7)c6,Cc1ccc(cc1NC(=O)Oc2ccccc2)N3C(=O)N(C(=O)N(C3=O)c4ccc(C)c(NC(=O)Oc5ccccc5)c4)c6ccc(C)c(NC(=O)Oc7ccccc7)c6,"InChI=1/C45H36N6O9/c1-28-19-22-31(25-37(28)46-40(52)58-34-13-7-4-8-14-34)49-43(55)50(32-23-20-29(2)38(26-32)47-41(53)59-35-15-9-5-10-16-35)45(57)51(44(49)56)33-24-21-30(3)39(27-33)48-42(54)60-36-17-11-6-12-18-36/h4-27H,1-3H3,(H,46,52)(H,47,53)(H,48,54)",C45H36N6O9,,,,,,HIVSYBQYXIMMGH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.795,249-290-2,28888-81-5,"1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecachloro-29H,31H-phthalocyanine",hexadecachlorophthalocyanine,Clc1c(Cl)c(Cl)c2C3=NC4=NC(=NC5=NC(=NC6=NC(=NC(=N3)c2c1Cl)c7c(Cl)c(Cl)c(Cl)c(Cl)c67)c8c(Cl)c(Cl)c(Cl)c(Cl)c58)c9c(Cl)c(Cl)c(Cl)c(Cl)c49,Clc1c(Cl)c(Cl)c2C3=NC4=NC(=NC5=NC(=NC6=NC(=NC(=N3)c2c1Cl)c7c(Cl)c(Cl)c(Cl)c(Cl)c67)c8c(Cl)c(Cl)c(Cl)c(Cl)c58)c9c(Cl)c(Cl)c(Cl)c(Cl)c49,InChI=1/C32Cl16N8/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38,C32H2Cl16N8,,,,,,TZQMPWKLVAYIFR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.801,249-297-0,28900-95-0,"3-(octadecylamino)propane-1,2-diol","3-(octadecylamino)propane-1,2-diol",CCCCCCCCCCCCCCCCCCNCC(O)CO,CCCCCCCCCCCCCCCCCCNCC(O)CO,"InChI=1/C21H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21(24)20-23/h21-24H,2-20H2,1H3",C21H45NO2,,,,,,ULIKETKXKSFNTL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.807,249-303-1,28906-38-9,Bromochlorobenzene,1-bromo-2-chlorobenzene,Clc1ccccc1Br,Clc1ccccc1Br,InChI=1/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H,C6H4BrCl,,,,,,QBELEDRHMPMKHP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.808,249-304-7,28907-84-8,Sodium 5-aminonaphthalene-2-sulphonate,sodium 5-aminonaphthalene-2-sulfonate,[Na+].Nc1cccc2cc(ccc12)S(=O)(=O)[O-],[Na+].Nc1cccc2cc(ccc12)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,LPRBJVUYRGPVTE-UHFFFAOYSA-M,,,,,,,,,,,
100.044.810,249-306-8,28908-00-1,2-[(chloromethyl)thio]benzothiazole,"2-[(chloromethyl)sulfanyl]-1,3-benzothiazole",ClCSc1nc2ccccc2s1,ClCSc1nc2ccccc2s1,"InChI=1/C8H6ClNS2/c9-5-11-8-10-6-3-1-2-4-7(6)12-8/h1-4H,5H2",C8H6ClNS2,,,,,,HBFOPLIDEZBACO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.816,249-313-6,28920-43-6,9H-fluoren-9-ylmethyl chloroformate,9H-fluoren-9-ylmethyl chlorocarbonate,ClC(=O)OCC1c2ccccc2c3ccccc13,ClC(=O)OCC1c2ccccc2c3ccccc13,"InChI=1/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2",C15H11ClO2,,,,,,IRXSLJNXXZKURP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.817,249-314-1,28924-18-7,"1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethan-1-one","1-[3,5-bis(benzyloxy)phenyl]-2-bromoethanone",BrCC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,BrCC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,"InChI=1/C22H19BrO3/c23-14-22(24)19-11-20(25-15-17-7-3-1-4-8-17)13-21(12-19)26-16-18-9-5-2-6-10-18/h1-13H,14-16H2",C22H19BrO3,,,,,,JIQMOQSQAVBFLO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.821,249-318-3,28930-20-3,Ethylpyrocatechol,"3-ethylbenzene-1,2-diol",CCc1cccc(O)c1O,CCc1cccc(O)c1O,"InChI=1/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3",C8H10O2,,,,,,UUCQGNWZASKXNN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.904,246-110-4,24259-59-4,L-ribose,L-ribose,OC[C@H](O)[C@H](O)[C@H](O)C=O,OC[C@H](O)[C@H](O)[C@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-MROZADKFSA-N,,,,,,,,,,,
100.041.907,246-114-6,24262-38-2,3-bromo-2-oxobornane-10-sulphonic acid,"(3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid",CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2Br,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2Br,"InChI=1/C10H15BrO4S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6-7H,3-5H2,1-2H3,(H,13,14,15)",C10H15BrO4S,,,,,,XUJHKPSBHDQIOD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.914,246-121-4,24286-28-0,6-deoxy-L-galactonolactone,"3,4-dihydroxy-5-(1-hydroxyethyl)dihydrofuran-2(3H)-one (non-preferred name)",CC(O)C1OC(=O)C(O)C1O,CC(O)C1OC(=O)C(O)C1O,"InChI=1/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3",C6H10O5,,,,,,VASLEPDZAKCNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.915,246-123-5,24287-35-2,Dimethyltetradecylammonium acetate,"N,N-dimethyltetradecan-1-aminium acetate",CCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],CCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],"InChI=1/C16H35N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-2(3)4/h4-16H2,1-3H3;1H3,(H,3,4)",C16H35N.C2H4O2,,,,,,WOJPVXQAVGCDIA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.916,246-124-0,24290-36-6,"Pent-2-enedial, monosodium salt",-,[Na+].O=CCC=CC=O,[Na+].O=CCC=CC=O,"InChI=1/C5H6O2.Na/c6-4-2-1-3-5-7;/h1-2,4-5H,3H2;/q;+1",C5H5O2.Na,,,,,,UPJSKDPKUALLIL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.927,246-136-6,24298-17-7,Trioctylpropylammonium bromide,"N,N-dioctyl-N-propyloctan-1-aminium bromide",[Br-].CCCCCCCC[N+](CCC)(CCCCCCCC)CCCCCCCC,[Br-].CCCCCCCC[N+](CCC)(CCCCCCCC)CCCCCCCC,"InChI=1/C27H58N.BrH/c1-5-9-12-15-18-21-25-28(24-8-4,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3;/h5-27H2,1-4H3;1H/q+1;/p-1",C27H58N.Br,,,,,,PIVZYJMLIVYZJA-UHFFFAOYSA-M,,,,,,,,,,,
100.045.594,250-169-1,30387-70-3,"2-butoxyethyl 3-(2,4,5-trichlorophenoxy)propionate","2-butoxyethyl 3-(2,4,5-trichlorophenoxy)propanoate",CCCCOCCOC(=O)CCOc1cc(Cl)c(Cl)cc1Cl,CCCCOCCOC(=O)CCOc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C15H19Cl3O4/c1-2-3-5-20-7-8-22-15(19)4-6-21-14-10-12(17)11(16)9-13(14)18/h9-10H,2-8H2,1H3",C15H19Cl3O4,,,,,,WERRVXJNLSIJED-UHFFFAOYSA-N,,,,,,,,,,,
100.045.595,250-170-7,30388-01-3,2-hydroxypropyl methanethiosulphonate,S-(2-hydroxypropyl) methanesulfonothioate,CC(O)CSS(=O)(=O)C,CC(O)CSS(=O)(=O)C,"InChI=1/C4H10O3S2/c1-4(5)3-8-9(2,6)7/h4-5H,3H2,1-2H3",C4H10O3S2,,,,,,CYRYBYQBGSMZMK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.596,250-171-2,30388-44-4,4-mesyl- N-methyl-2-nitroaniline,N-methyl-4-(methylsulfonyl)-2-nitroaniline,CNc1ccc(cc1N(=O)=O)S(=O)(=O)C,CNc1ccc(cc1N(=O)=O)S(=O)(=O)C,"InChI=1/C8H10N2O4S/c1-9-7-4-3-6(15(2,13)14)5-8(7)10(11)12/h3-5,9H,1-2H3",C8H10N2O4S,,,,,,SGWXKSCZDKMSLI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.598,250-173-3,30389-25-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecene","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-ene",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C12H3F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H,1H2",C12H3F21,,,,,,UCHSAVGOZUCXHC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.599,250-174-9,30390-51-3,Dodec-4-en-1-al,dodec-4-enal,CCCCCCCC=CCCC=O,CCCCCCCC=CCCC=O,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3",C12H22O,,,,,,MMCDSVCBSAMNPL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.600,250-175-4,30391-89-0,2-amino-N-(isopropyl)benzamide,2-amino-N-isopropylbenzamide,CC(C)NC(=O)c1ccccc1N,CC(C)NC(=O)c1ccccc1N,"InChI=1/C10H14N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3,(H,12,13)",C10H14N2O,,,,,,FWQYJOPJMIEKHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.601,250-177-5,30392-41-7,"(tert-butyl)[ß-hydroxy-3,4-bis(p-toluoyloxy)phenethyl]ammonium methanesulphonate","N-(2-{3,4-bis[(4-methylbenzoyl)oxy]phenyl}-2-hydroxyethyl)-2-methylpropan-2-aminium methanesulfonate",Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC(=O)c3ccc(C)cc3)C(O)C[NH2+]C(C)(C)C.CS(=O)(=O)[O-],Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC(=O)c3ccc(C)cc3)C(O)C[NH2+]C(C)(C)C.CS(=O)(=O)[O-],"InChI=1/C28H31NO5.CH4O3S/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;1-5(2,3)4/h6-16,23,29-30H,17H2,1-5H3;1H3,(H,2,3,4)",C28H31NO5.CH4O3S,,,,,,HODFCFXCOMKRCG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.606,250-182-2,30411-66-6,4-(butylamino)-2-(4-methoxyphenyl)-1-benzopyrylium tetrafluoroborate,4-(butylamino)-2-(4-methoxyphenyl)chromenium tetrafluoroborate,CCCCNc1cc([o+]c2ccccc12)c3ccc(OC)cc3.F[B-](F)(F)F,CCCCNc1cc([o+]c2ccccc12)c3ccc(OC)cc3.F[B-](F)(F)F,"InChI=1/C20H22NO2.BF4/c1-3-4-13-21-18-14-20(15-9-11-16(22-2)12-10-15)23-19-8-6-5-7-17(18)19;2-1(3,4)5/h5-12,14,21H,3-4,13H2,1-2H3;/q+1;-1",C20H22NO2.BF4,,,,,,ZNKAEIIAZYIKCY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.707,246-994-1,25447-83-0,"3-(decenyl)dihydrofuran-2,5-dione","3-dec-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCC,"InChI=1/C14H22O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h9-10,12H,2-8,11H2,1H3",C14H22O3,,,,,,UWERUIGPWOVNGG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.708,246-995-7,25448-04-8,Tetrahydroquinoline,"5,6,7,8-tetrahydroquinoline",C1CCc2ncccc2C1,C1CCc2ncccc2C1,"InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2",C9H11N,,,,,,YQDGQEKUTLYWJU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.710,246-997-8,25448-24-2,Isotridecanoic acid,11-methyldodecanoic acid,CC(C)CCCCCCCCCC(=O)O,CC(C)CCCCCCCCCC(=O)O,"InChI=1/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)",C13H26O2,,,,,,SIOLDWZBFABPJU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.721,247-009-8,25462-17-3,2-(hydroxymethyl)-2-methylpentyl isopropyl-carbamate,2-(hydroxymethyl)-2-methylpentyl isopropylcarbamate,CCCC(C)(CO)COC(=O)NC(C)C,CCCC(C)(CO)COC(=O)NC(C)C,"InChI=1/C11H23NO3/c1-5-6-11(4,7-13)8-15-10(14)12-9(2)3/h9,13H,5-8H2,1-4H3,(H,12,14)",C11H23NO3,,,,,,CYKYMRWEPMUFSS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.733,247-022-9,25486-55-9,"(2,3-epoxyphytyl)menaquinone","1a-methyl-7a-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione",CC(C)CCCC(C)CCCC(C)CCCC(=CCC12OC1(C)C(=O)c3ccccc3C2=O)C,CC(C)CCCC(C)CCCC(C)CCCC(=CCC12OC1(C)C(=O)c3ccccc3C2=O)C,"InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3",C31H46O3,,,,,,KUTXFBIHPWIDJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.734,247-023-4,25489-00-3,1-methoxybicyclo[2.2.2]oct-5-en-2-yl methyl ketone,1-(1-methoxybicyclo[2.2.2]oct-5-en-2-yl)ethanone,COC12CCC(CC1C(=O)C)C=C2,COC12CCC(CC1C(=O)C)C=C2,"InChI=1/C11H16O2/c1-8(12)10-7-9-3-5-11(10,13-2)6-4-9/h3,5,9-10H,4,6-7H2,1-2H3",C11H16O2,,,,,,KJZQUTGGCFVTCY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.911,246-118-8,24280-45-3,Ethyl piperazine-1-carboxylate monohydrochloride,ethyl piperazine-1-carboxylate hydrochloride,Cl.CCOC(=O)N1CCNCC1,Cl.CCOC(=O)N1CCNCC1,"InChI=1/C7H14N2O2.ClH/c1-2-11-7(10)9-5-3-8-4-6-9;/h8H,2-6H2,1H3;1H",C7H14N2O2.ClH,,,,,,SLKWSZYSOUHYME-UHFFFAOYSA-N,,,,,,,,,,,
100.041.913,246-120-9,24285-39-0,2-methylisourea sulphate,methyl imidocarbamate sulfate,COC(=N)N.OS(=O)(=O)O,COC(=N)N.OS(=O)(=O)O,"InChI=1/C2H6N2O.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)",C2H6N2O.xH2O4S,,,,,,MDFRYRPNRLLJHT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.924,246-132-4,24293-73-0,(p-aminophenacyl)trimethylammonium chloride,"2-(4-aminophenyl)-N,N,N-trimethyl-2-oxoethanaminium chloride",[Cl-].C[N+](C)(C)CC(=O)c1ccc(N)cc1,[Cl-].C[N+](C)(C)CC(=O)c1ccc(N)cc1,"InChI=1/C11H16N2O.ClH/c1-13(2,3)8-11(14)9-4-6-10(12)7-5-9;/h4-7H,8H2,1-3H3,(H-,12,14);1H",C11H17N2O.Cl,,,,,,LKQIDHUPDMDKAM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.928,246-137-1,24298-26-8,3-(2-hydroxyethoxy)propiononitrile,3-(2-hydroxyethoxy)propanenitrile,OCCOCCC#N,OCCOCCC#N,"InChI=1/C5H9NO2/c6-2-1-4-8-5-3-7/h7H,1,3-5H2",C5H9NO2,,,,,,QNCFKOUSIIQMMI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.932,246-141-3,24304-50-5,"N,N'-(2,5-dimethyl-1,4-phenylene)bis[3-oxobutyramide]","N,N'-(2,5-dimethyl-1,4-phenylene)bis(3-oxobutanamide)",CC(=O)CC(=O)Nc1cc(C)c(NC(=O)CC(=O)C)cc1C,CC(=O)CC(=O)Nc1cc(C)c(NC(=O)CC(=O)C)cc1C,"InChI=1/C16H20N2O4/c1-9-5-14(18-16(22)8-12(4)20)10(2)6-13(9)17-15(21)7-11(3)19/h5-6H,7-8H2,1-4H3,(H,17,21)(H,18,22)",C16H20N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12837,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.932,NPISXGVUUHHCHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.941,246-151-8,24310-40-5,"3-(hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one","3-(hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one",OCN1N=Nc2ccccc2C1=O,OCN1N=Nc2ccccc2C1=O,"InChI=1/C8H7N3O2/c12-5-11-8(13)6-3-1-2-4-7(6)9-10-11/h1-4,12H,5H2",C8H7N3O2,,,,,,UAFIMNGKLCAYCN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.539,245-709-8,23516-79-2,"1-(4-aminophenyl)-2,2,2-trifluoroethan-1-one","1-(4-aminophenyl)-2,2,2-trifluoroethanone",Nc1ccc(cc1)C(=O)C(F)(F)F,Nc1ccc(cc1)C(=O)C(F)(F)F,"InChI=1/C8H6F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4H,12H2",C8H6F3NO,,,,,,GHGLSQSKVJUUNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.540,245-710-3,23519-20-2,(-)-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-benzotriazole-5-carboxamide dihydrochloride,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-1H-benzotriazole-6-carboxamide dihydrochloride,Cl.Cl.CCN1CCCC1CNC(=O)c2cc3[nH]nnc3cc2OC,Cl.Cl.CCN1CCCC1CNC(=O)c2cc3[nH]nnc3cc2OC,"InChI=1/C15H21N5O2.2ClH/c1-3-20-6-4-5-10(20)9-16-15(21)11-7-12-13(18-19-17-12)8-14(11)22-2;;/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)(H,17,18,19);2*1H",C15H21N5O2.2ClH,,,,,,AEPQMVYWWGIIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.547,245-718-7,23532-28-7,"5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate","5-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",CN2/C=N\\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.[O-]S(=O)(=O)OC,CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.[O-]S(=O)(=O)OC,"InChI=1/C14H22N6.CH4O4S/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-5-6(2,3)4/h7-11,14H,5-6H2,1-4H3;1H3,(H,2,3,4)",C14H21N6.CH3O4S,,,,,,MIQCPUZBYVPWIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.549,245-720-8,23532-74-3,9-butyl-9-borabicyclo[3.3.1]nonane,9-butyl-9-borabicyclo[3.3.1]nonane,CCCCB1C2CCCC1CCC2,CCCCB1C2CCCC1CCC2,"InChI=1/C12H23B/c1-2-3-10-13-11-6-4-7-12(13)9-5-8-11/h11-12H,2-10H2,1H3",C12H23B,,,,,,KTZPWRVDIHPOGI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.558,245-730-2,23552-76-3,1-hydroxy-4-[(4-methoxyphenyl)amino]anthraquinone,"1-hydroxy-4-[(4-methoxyphenyl)amino]-9,10-anthraquinone",COc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,COc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C21H15NO4/c1-26-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3",C21H15NO4,,,,,,RUUQNDPKAFJWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.561,245-733-9,23556-90-3,Acetaldehyde dibenzylacetal,"1,1'-[ethane-1,1-diylbis(oxymethylene)]dibenzene",CC(OCc1ccccc1)OCc2ccccc2,CC(OCc1ccccc1)OCc2ccccc2,"InChI=1/C16H18O2/c1-14(17-12-15-8-4-2-5-9-15)18-13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3",C16H18O2,,,,,,RFRXYOZZAPXFFD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.562,245-734-4,23558-08-9,"D-Fructose, 1,6-bis(dihydrogen phosphate), sodium salt",sodium 6-O-(hydroxyphosphinato)-1-O-phosphonohex-2-ulofuranose,OC1C(O)C(O)(COP(=O)(O)O)OC1COP(=O)(O)O[Na],OC1C(O)C(O)(COP(=O)(O)O)OC1COP(=O)(O)O[Na],"InChI=1/C6H14O12P2.Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);/q;+1/p-1/rC6H13NaO12P2/c7-19-21(14,15)16-1-3-4(8)5(9)6(10,18-3)2-17-20(11,12)13/h3-5,8-10H,1-2H2,(H,14,15)(H2,11,12,13)",C6H14O12P2.xNa,,,,,,LIDHWAYSXPENIT-UHFFFAOYSA-M,,,,,,,,,,,
100.041.569,245-742-8,23565-36-8,"Salicylic acid, compound with 2-(diethylamino)ethyl salicylate (1:1)",2-hydroxybenzoic acid - 2-(diethylamino)ethyl 2-hydroxybenzoate (1:1),CCN(CC)CCOC(=O)c1ccccc1O.OC(=O)c2ccccc2O,CCN(CC)CCOC(=O)c1ccccc1O.OC(=O)c2ccccc2O,"InChI=1/C13H19NO3.C7H6O3/c1-3-14(4-2)9-10-17-13(16)11-7-5-6-8-12(11)15;8-6-4-2-1-3-5(6)7(9)10/h5-8,15H,3-4,9-10H2,1-2H3;1-4,8H,(H,9,10)",C13H19NO3.C7H6O3,,,,,,YYNGLQIOTDSHAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.729,239-319-7,15278-86-1,Dirubidium tetrabromoplatinate,dirubidium tetrabromoplatinate(2-),[Rb+].[Rb+].Br[Pt-2](Br)(Br)Br,[Rb+].[Rb+].Br[Pt-2](Br)(Br)Br,InChI=1/4BrH.Pt.2Rb/h4*1H;;;/q;;;;+4;2*+1/p-4,Br4Pt.2Rb,,,,,,QOPPFYGKCUNPPE-UHFFFAOYSA-J,,,,,,,,,,,
100.032.669,235-952-8,13059-67-1,Dichlorotrimethylantimony,dichloro(trimethyl)stiborane,C[Sb](C)(C)(Cl)Cl,C[Sb](C)(C)(Cl)Cl,"InChI=1/3CH3.2ClH.Sb/h3*1H3;2*1H;/q;;;;;+2/p-2/rC3H9Cl2Sb/c1-6(2,3,4)5/h1-3H3",C3H9Cl2Sb,,,,,,IEOZXTYTNPKDKQ-UHFFFAOYSA-L,,,,,,,,,,,
100.032.672,235-955-4,13063-43-9,Dichloromalononitrile,dichloromalononitrile,ClC(Cl)(C#N)C#N,ClC(Cl)(C#N)C#N,"InChI=1/C3Cl2N2/c4-3(5,1-6)2-7",C3Cl2N2,,,,,,NCWGPYPDPWOJKC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.674,235-958-0,13064-50-1,Sodium 2-chloro-1-hydroxyethanesulphonate,sodium 2-chloro-1-hydroxyethanesulfonate,[Na+].OC(CCl)S(=O)(=O)[O-],[Na+].OC(CCl)S(=O)(=O)[O-],"InChI=1/C2H5ClO4S.Na/c3-1-2(4)8(5,6)7;/h2,4H,1H2,(H,5,6,7);/q;+1/p-1",C2H5ClO4S.Na,,,,,,FOSIEWVVVRVFJH-UHFFFAOYSA-M,,,,,,,,,,,
100.032.679,235-963-8,13071-79-9,"S-tert-butylthiomethyl O,O-diethylphosphorodithioate","S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate",CCOP(=S)(OCC)SCSC(C)(C)C,CCOP(=S)(OCC)SCSC(C)(C)C,"InChI=1/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3",C9H21O2PS3,,,,,,XLNZEKHULJKQBA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.681,235-965-9,13072-69-0,"N-tricyclo(3.3.1.1'3,7)dec-1-ylurea",1-adamantan-1-ylurea,NC(=O)NC12CC3CC(CC(C3)C1)C2,NC(=O)NC12CC3CC(CC(C3)C1)C2,"InChI=1/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)",C11H18N2O,,,,,,QYYHPAUOLCHORH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.684,235-969-0,13074-63-0,3-methyl-2-pentylcyclopentan-1-one,3-methyl-2-pentylcyclopentanone,CCCCCC1C(C)CCC1=O,CCCCCC1C(C)CCC1=O,"InChI=1/C11H20O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h9-10H,3-8H2,1-2H3",C11H20O,,,,,,ZISGOYMWXFOWAM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.690,235-975-3,13078-14-3,1-(p-tolyl)piperazine dihydrochloride,1-(4-methylphenyl)piperazine dihydrochloride,Cl.Cl.Cc1ccc(cc1)N2CCNCC2,Cl.Cl.Cc1ccc(cc1)N2CCNCC2,"InChI=1/C11H16N2.2ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H",C11H16N2.2ClH,,,,,,PMGFOTNCJZITIM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.691,235-976-9,13078-15-4,1-(3-chlorophenyl)piperazinium chloride,1-(3-chlorophenyl)piperazin-1-ium chloride,[Cl-].Clc1cccc(c1)[NH+]2CCNCC2,[Cl-].Clc1cccc(c1)[NH+]2CCNCC2,"InChI=1/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H",C10H13ClN2.ClH,,,,,,MHXPYWFZULXYHT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.703,235-990-5,13081-44-2,N-[2-(dimethylamino)ethyl]methacrylamide,N-[2-(dimethylamino)ethyl]-2-methylacrylamide,CN(C)CCNC(=O)C(=C)C,CN(C)CCNC(=O)C(=C)C,"InChI=1/C8H16N2O/c1-7(2)8(11)9-5-6-10(3)4/h1,5-6H2,2-4H3,(H,9,11)",C8H16N2O,,,,,,DCBBWYIVFRLKCD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.706,235-993-1,13083-09-5,"Pentasodium 4-[[4-[(3,6-disulphonato-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo]-3-hydroxynaphthalene-2,7-disulphonate","pentasodium 4-({4-[(3,6-disulfonato-1-naphthyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-3-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cc(cc6N=Nc5ccc(N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cc(cc6N=Nc5ccc(N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C30H20N4O16S5.5Na/c35-30-28(55(48,49)50)12-16-10-18(52(39,40)41)2-5-22(16)29(30)34-32-25-7-8-26(24-13-19(53(42,43)44)3-6-23(24)25)31-33-27-14-20(54(45,46)47)11-15-9-17(51(36,37)38)1-4-21(15)27;;;;;/h1-14,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;/q;5*+1/p-5",C30H20N4O16S5.5Na,,,,,,BRDKDUIVKAWUDZ-UHFFFAOYSA-I,,,,,,,,,,,
100.036.070,239-694-7,15618-65-2,Bis(2-ethylhexyl) diperoxycarbonate,"3,3'-[carbonylbis(dioxymethylene)]diheptane",CCCCC(CC)COOC(=O)OOCC(CC)CCCC,CCCCC(CC)COOC(=O)OOCC(CC)CCCC,"InChI=1/C17H34O5/c1-5-9-11-15(7-3)13-19-21-17(18)22-20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",C17H34O5,,,,,,MONDOAXQDOCXQW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.075,239-699-4,15623-66-2,"5-(benzoylamino)-3-[[4-[[4-chloro-6-[(4-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-(benzoylamino)-3-{[4-({4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonic acid",Clc6nc(Nc1ccc(cc1)S(O)(=O)=O)nc(Nc5ccc(N=Nc4c(cc3cc(cc(NC(=O)c2ccccc2)c3c4O)S(O)(=O)=O)S(O)(=O)=O)c(c5)S(O)(=O)=O)n6,Clc6nc(Nc1ccc(cc1)S(O)(=O)=O)nc(Nc5ccc(N=Nc4c(cc3cc(cc(NC(=O)c2ccccc2)c3c4O)S(O)(=O)=O)S(O)(=O)=O)c(c5)S(O)(=O)=O)n6,"InChI=1/C32H23ClN8O14S4/c33-30-37-31(34-18-6-9-20(10-7-18)56(44,45)46)39-32(38-30)35-19-8-11-22(24(14-19)58(50,51)52)40-41-27-25(59(53,54)55)13-17-12-21(57(47,48)49)15-23(26(17)28(27)42)36-29(43)16-4-2-1-3-5-16/h1-15,42H,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,34,35,37,38,39)",C32H23ClN8O14S4,,,,,,PVHAXFGGALNEOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.930,246-139-2,24302-67-8,Cinchonine hydrochloride,cinchonan-9-ol hydrochloride,Cl.O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34,Cl.O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34,"InChI=1/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H",C19H22N2O.xClH,,,,,,IMUHWLVEEVGMBC-BKUXTCEESA-N,,,,,,,,,,,
100.041.934,246-143-4,24305-27-9,Protirelin,5-oxo-L-prolyl-L-histidyl-L-prolinamide,NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)Cc3cncn3,NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)Cc3cncn3,"InChI=1/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)",C16H22N6O4,,,,,,XNSAINXGIQZQOO-SRVKXCTJSA-N,,,,,,,,,,,
100.041.936,246-146-0,24305-97-3,Sodium bis[N-[7-hydroxy-8-[[2-hydroxy-5-sulphamoylphenyl]azo]-1-naphthyl]acetamidato(2-)]chromate(1-),sodium {N-[7-(hydroxy-kappaO)-8-{[2-(hydroxy-kappaO)-5-sulfamoylphenyl]diazenyl}-1-naphthyl]acetamidato(2-)}[N-{7-(hydroxy-kappaO)-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-1-naphthyl}acetamidato(2-)]chromate(1-),CC(=O)Nc1cccc2ccc(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6cccc(NC(=O)C)c56)S(=O)(=O)N)c(N=Nc7cc(ccc7O[Na])S(=O)(=O)N)c12,CC(=O)Nc1cccc2ccc(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6cccc(NC(=O)C)c56)S(=O)(=O)N)c(N=Nc7cc(ccc7O[Na])S(=O)(=O)N)c12,"InChI=1/2C18H16N4O5S.Cr.Na/c2*1-10(23)20-13-4-2-3-11-5-7-16(25)18(17(11)13)22-21-14-9-12(28(19,26)27)6-8-15(14)24;;/h2*2-9,24-25H,1H3,(H,20,23)(H2,19,26,27);;/q;;+3;+1/p-4/rC36H29CrN8O10S2.Na/c1-19(46)40-25-7-3-5-21-9-14-31(35(33(21)25)44-42-27-17-23(56(38,49)50)11-13-29(27)48)54-37-53-30-16-12-24(57(39,51)52)18-28(30)43-45-36-32(55-37)15-10-22-6-4-8-26(34(22)36)41-20(2)47;/h3-18,48H,1-2H3,(H,40,46)(H,41,47)(H2,38,49,50)(H2,39,51,52);/q;+1/p-1",C36H28CrN8O10S2.Na,,,,,,ZGWUGEDQBYJVNR-UHFFFAOYSA-J,,,,,,,,,,,
100.041.938,246-148-1,24308-84-7,Zinc bis(benzenesulphinate),zinc bisbenzenesulfinate,[Zn+2].[O-]S(=O)c1ccccc1.[O-]S(=O)c2ccccc2,[Zn+2].[O-]S(=O)c1ccccc1.[O-]S(=O)c2ccccc2,"InChI=1/2C6H6O2S.Zn/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8);/q;;+2/p-2",C6H6O2S.1/2Zn,,,,,,UMGLWJIVIBWZCW-UHFFFAOYSA-L,,,,,,,,,,,
100.041.536,245-706-1,23513-72-6,"5-oxo-L-proline, compound with 2-(dimethylamino)ethanol (1:1)",5-oxo-L-proline - 2-(dimethylamino)ethanol (1:1),CN(C)CCO.OC(=O)[C@@H]1CCC(=O)N1,CN(C)CCO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C4H11NO/c7-4-2-1-3(6-4)5(8)9;1-5(2)3-4-6/h3H,1-2H2,(H,6,7)(H,8,9);6H,3-4H2,1-2H3",C5H7NO3.C4H11NO,,,,,,DAEHWWVKPWBXGD-DFWYDOINSA-N,,,,,,,,,,,
100.041.545,245-716-6,23525-22-6,Diphenylarsinecarbonitrile,diphenylarsinous cyanide,N#C[As](c1ccccc1)c2ccccc2,N#C[As](c1ccccc1)c2ccccc2,InChI=1/C13H10AsN/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,C13H10AsN,,,,,,BDHNJKLLVSRGDK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.551,245-722-9,23541-42-6,Barium N-formimidoyl-L-glutamate (1:2),barium N-formimidoyl-L-glutamate (1:2),[Ba].[O-]C(=O)CC[C@H](NC=N)C(=O)[O-].[O-]C(=O)CC[C@H](NC=N)C(=O)[O-],[Ba].[O-]C(=O)CC[C@H](NC=N)C(=O)[O-].[O-]C(=O)CC[C@H](NC=N)C(=O)[O-],"InChI=1/2C6H10N2O4.Ba/c2*7-3-8-4(6(11)12)1-2-5(9)10;/h2*3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12);/q;;+2/p-4",C6H10N2O4.1/2Ba,,,,,,RHMPAHWRPPVTNF-SCGRZTRASA-J,,,,,,,,,,,
100.041.552,245-723-4,23541-50-6,Daunorubicin hydrochloride,"3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride",Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C,Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C,"InChI=1/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H",C27H29NO10.ClH,,,,,,GUGHGUXZJWAIAS-QQYBVWGSSA-N,,,,,,,,,,,
100.041.556,245-728-1,23552-74-1,"3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[N-cyclohexyl-2,4,6-trimethylbenzenesulphonamide]","3,3'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]bis(N-cyclohexyl-2,4,6-trimethylbenzenesulfonamide)",Cc1cc(C)c(c(C)c1Nc2ccc(Nc3c(C)cc(C)c(c3C)S(=O)(=O)NC4CCCCC4)c5C(=O)c6ccccc6C(=O)c25)S(=O)(=O)NC7CCCCC7,Cc1cc(C)c(c(C)c1Nc2ccc(Nc3c(C)cc(C)c(c3C)S(=O)(=O)NC4CCCCC4)c5C(=O)c6ccccc6C(=O)c25)S(=O)(=O)NC7CCCCC7,"InChI=1/C44H52N4O6S2/c1-25-23-27(3)43(55(51,52)47-31-15-9-7-10-16-31)29(5)39(25)45-35-21-22-36(38-37(35)41(49)33-19-13-14-20-34(33)42(38)50)46-40-26(2)24-28(4)44(30(40)6)56(53,54)48-32-17-11-8-12-18-32/h13-14,19-24,31-32,45-48H,7-12,15-18H2,1-6H3",C44H52N4O6S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18069,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.556,AYYCRXDSCYPSRP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.563,245-736-5,23559-40-2,"Exo-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-p-cresol","4-methyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",Cc1ccc(O)c(c1)C2CC3CCC2(C)C3(C)C,Cc1ccc(O)c(c1)C2CC3CCC2(C)C3(C)C,"InChI=1/C17H24O/c1-11-5-6-15(18)13(9-11)14-10-12-7-8-17(14,4)16(12,2)3/h5-6,9,12,14,18H,7-8,10H2,1-4H3",C17H24O,,,,,,ZRCLPBCDJUWMRD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.564,245-737-0,23560-59-0,Heptenophos,"7-chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl phosphate",COP(=O)(OC)OC1=C(Cl)C2C=CCC12,COP(=O)(OC)OC1=C(Cl)C2C=CCC12,"InChI=1/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3",C9H12ClO4P,,,,,,GBAWQJNHVWMTLU-UHFFFAOYSA-N,Positive/Negative,EQ311401|EQ311402|EQ311403|EQ311404|EQ311405|EQ311406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,127.0154:125.0153:251.0236|127.0154:125.0153:89.0386|127.0155:125.0154:89.0386|127.0154:125.0153:89.0386|127.0154:89.0386:125.0153|127.0155:89.0386:98.9996,Eawag,EQ311451|EQ311452|EQ311453|EQ311454|EQ311455|EQ311456,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,221.0259:203.0154:175.0204|175.0204:221.0259:131.0137|131.0137:175.0204:93.0345|131.0136:93.0347:175.0204|131.0136:93.0346:78.9591|131.0137:93.0346:78.959,Eawag
100.042.736,247-026-0,25489-36-5,"Disodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Cl)n4,[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Cl)n4,"InChI=1/C20H14Cl2N6O8S2.2Na/c1-36-11-3-5-13(14(8-11)37(30,31)32)27-28-16-15(38(33,34)35)7-9-6-10(2-4-12(9)17(16)29)23-20-25-18(21)24-19(22)26-20;;/h2-8,29H,1H3,(H,30,31,32)(H,33,34,35)(H,23,24,25,26);;/q;2*+1/p-2",C20H14Cl2N6O8S2.2Na,,,,,,POLOSNXTRBMLNO-UHFFFAOYSA-L,,,,,,,,,,,
100.040.414,244-471-2,21608-06-0,Methyl N-ethyl-N-phenyl-ß-alaninate,methyl N-ethyl-N-phenyl-beta-alaninate,CCN(CCC(=O)OC)c1ccccc1,CCN(CCC(=O)OC)c1ccccc1,"InChI=1/C12H17NO2/c1-3-13(10-9-12(14)15-2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3",C12H17NO2,,,,,,AGKYCLGMYBHGSV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.418,244-475-4,21615-32-7,"[[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]imino]diethylene dibutyrate","butanoic acid - N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(divinylamino)-4-ethoxyphenyl}acetamide (2:1)",Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(C=C)C=C)[N+]([O-])=O)[N+]([O-])=O.CCCC(O)=O.CCCC(O)=O,Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(C=C)C=C)[N+]([O-])=O)[N+]([O-])=O.CCCC(O)=O.CCCC(O)=O,"InChI=1/C20H19BrN6O6.2C4H8O2/c1-5-25(6-2)17-10-15(22-12(4)28)16(11-19(17)33-7-3)23-24-20-14(21)8-13(26(29)30)9-18(20)27(31)32;2*1-2-3-4(5)6/h5-6,8-11H,1-2,7H2,3-4H3,(H,22,28);2*2-3H2,1H3,(H,5,6)",C28H35BrN6O10,,,,,,FQQJSWWSKXXZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.420,244-478-0,21615-36-1,"2,2'-[(3-methylphenyl)imino]bisethyl diacetate","[(3-methylphenyl)imino]diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(=O)C)c1cccc(C)c1,CC(=O)OCCN(CCOC(=O)C)c1cccc(C)c1,"InChI=1/C15H21NO4/c1-12-5-4-6-15(11-12)16(7-9-19-13(2)17)8-10-20-14(3)18/h4-6,11H,7-10H2,1-3H3",C15H21NO4,,,,,,AHLUBQCOAONRMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.421,244-479-6,21615-47-4,Ammonium undecafluorohexanoate,ammonium undecafluorohexanoate,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6HF11O2.H3N/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17;/h(H,18,19);1H3",C6HF11O2.H3N,,,,,,OWCNWICUDXNCTI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.422,244-480-1,21617-12-9,"4,8-dichloroquinoline","4,8-dichloroquinoline",Clc1ccnc2c(Cl)cccc12,Clc1ccnc2c(Cl)cccc12,InChI=1/C9H5Cl2N/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H,C9H5Cl2N,,,,,,SDPCOMBBZFETLG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.425,244-483-8,21626-69-7,N-[4-(4-morpholinylsulphonyl)phenyl]acetamide,N-[4-(morpholin-4-ylsulfonyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCOCC2,CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCOCC2,"InChI=1/C12H16N2O4S/c1-10(15)13-11-2-4-12(5-3-11)19(16,17)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)",C12H16N2O4S,,,,,,WSVGZFWJCRPWAG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.430,244-489-0,21643-32-3,Magnesium di(hexanolate),magnesium dihexan-1-olate,[Mg+2].CCCCCC[O-].CCCCCC[O-],[Mg+2].CCCCCC[O-].CCCCCC[O-],"InChI=1/2C6H13O.Mg/c2*1-2-3-4-5-6-7;/h2*2-6H2,1H3;/q2*-1;+2",C6H14O.1/2Mg,,,,,,GOMJHGKTFLDIRI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.431,244-490-6,21643-38-9,4-hexylbenzoic acid,4-hexylbenzoic acid,CCCCCCc1ccc(cc1)C(=O)O,CCCCCCc1ccc(cc1)C(=O)O,"InChI=1/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15)",C13H18O2,,,,,,CPEPWESLFZVUEP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.435,244-494-8,21646-99-1,Tetraethyl pyrophosphite,tetraethyl diphosphite,CCOP(OCC)OP(OCC)OCC,CCOP(OCC)OP(OCC)OCC,"InChI=1/C8H20O5P2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5-8H2,1-4H3",C8H20O5P2,,,,,,RDXABLXNTVBVML-UHFFFAOYSA-N,,,,,,,,,,,
100.040.438,244-497-4,21650-83-9,"3ß-hydroxy-5a-pregna-9(11),16-dien-20-one 3-acetate","20-oxopregna-9(11),16-dien-3-yl acetate",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(=O)C)[C@@]4(C)CC=C23)C1,CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(=O)C)[C@@]4(C)CC=C23)C1,"InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,10,16-18,20H,5-6,8-9,11-13H2,1-4H3",C23H32O3,,,,,,GBSGMSKNTLPLQF-FJLDFKITSA-N,,,,,,,,,,,
100.040.440,244-500-9,21651-22-9,"(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with cyclohexylamine (1:1)",N-methyl-N-oleoylglycine - cyclohexanamine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(=O)O.NC1CCCCC1,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.NC1CCCCC1,"InChI=1/C21H39NO3.C6H13N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;7-6-4-2-1-3-5-6/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);6H,1-5,7H2",C21H39NO3.C6H13N,,,,,,HLWVIAJDQFRVMK-GMFCBQQYSA-N,,,,,,,,,,,
100.040.441,244-501-4,21652-27-7,"(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol","2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCC\\C=C/CCCCCCCC1=NCCN1CCO,CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCO,"InChI=1/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3",C22H42N2O,,,,,,WGTDLPBPQKAPMN-KTKRTIGZSA-N,,,,,,,,,,,
100.040.443,244-504-0,21653-20-3,"[1S-(1a,3a,4a,5a)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-ol",1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol,CC(C)C12CC(O)C(C)C1C2,CC(C)C12CC(O)C(C)C1C2,"InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,DZVXRFMREAADPP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.570,245-743-3,23566-23-6,Bis(p-chlorobenzyl) sulphide,"1,1'-[sulfanediylbis(methylene)]bis(4-chlorobenzene)",Clc1ccc(CSCc2ccc(Cl)cc2)cc1,Clc1ccc(CSCc2ccc(Cl)cc2)cc1,"InChI=1/C14H12Cl2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2",C14H12Cl2S,,,,,,ITVKOVQVBCQQGY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.575,245-749-6,23578-35-0,"2,5-dimethylhexane-2,5-diamine","2,5-dimethylhexane-2,5-diamine",CC(C)(N)CCC(C)(C)N,CC(C)(N)CCC(C)(C)N,"InChI=1/C8H20N2/c1-7(2,9)5-6-8(3,4)10/h5-6,9-10H2,1-4H3",C8H20N2,,,,,,JWTVQZQPKHXGFM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.290,249-835-4,29770-19-2,2-[N-[p-(dimethylamino)phenyl]formimidoyl]-3-ethylbenzothiazolium ethyl sulphate,"2-({[4-(dimethylamino)phenyl]imino}methyl)-3-ethyl-1,3-benzothiazol-3-ium ethyl sulfate",[O-]S(=O)(=O)OCC.CN(C)c1ccc(cc1)N=Cc3sc2ccccc2[n+]3CC,[O-]S(=O)(=O)OCC.CN(C)c1ccc(cc1)N=Cc3sc2ccccc2[n+]3CC,"InChI=1/C18H20N3S.C2H6O4S/c1-4-21-16-7-5-6-8-17(16)22-18(21)13-19-14-9-11-15(12-10-14)20(2)3;1-2-6-7(3,4)5/h5-13H,4H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C18H20N3S.C2H5O4S,,,,,,XJITZQQGJPTYCJ-UHFFFAOYSA-M,,,,,,,,,,,
100.045.300,249-846-4,29781-81-5,Decyl a-D-glucopyranoside,decyl alpha-D-glucopyranoside,CCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3",C16H32O6,,,,,,JDRSMPFHFNXQRB-LJIZCISZSA-N,,,,,,,,,,,
100.045.306,249-853-2,29797-09-9,Cyclohexadiene,"cyclohexa-1,3-diene",C1CC=CC=C1,C1CC=CC=C1,"InChI=1/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2",C6H8,,,,,,MGNZXYYWBUKAII-UHFFFAOYSA-N,,,,,,,,,,,
100.045.309,249-856-9,29800-89-3,Methyl 4-pyridylacetate,methyl pyridin-4-ylacetate,COC(=O)Cc1ccncc1,COC(=O)Cc1ccncc1,"InChI=1/C8H9NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h2-5H,6H2,1H3",C8H9NO2,,,,,,ZOKQLMMQYVXILS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.311,249-859-5,29803-81-4,trans-4-(isopropyl)-1-methylcyclohex-2-en-1-ol,4-isopropyl-1-methylcyclohex-2-en-1-ol,CC(C)[C@H]1CC[C@](C)(O)C=C1,CC(C)[C@H]1CC[C@](C)(O)C=C1,"InChI=1/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3",C10H18O,,,,,,IZXYHAXVIZHGJV-NXEZZACHSA-N,,,,,,,,,,,
100.045.312,249-860-0,29803-82-5,cis-4-(isopropyl)-1-methylcyclohex-2-en-1-ol,4-isopropyl-1-methylcyclohex-2-en-1-ol,CC(C)[C@@H]1CC[C@](C)(O)C=C1,CC(C)[C@@H]1CC[C@](C)(O)C=C1,"InChI=1/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3",C10H18O,,,,,,IZXYHAXVIZHGJV-VHSXEESVSA-N,,,,,,,,,,,
100.045.313,249-861-6,29804-22-6,"cis-7,8-epoxy-2-methyloctadecane",2-decyl-3-(5-methylhexyl)oxirane,CC(C)CCCC[C@H]1O[C@H]1CCCCCCCCCC,CC(C)CCCC[C@H]1O[C@H]1CCCCCCCCCC,"InChI=1/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3",C19H38O,,,,,,HFOFYNMWYRXIBP-RBUKOAKNSA-N,,,,,,,,,,,
100.045.318,249-866-3,29809-35-6,Heptatriacontafluoro-18-iodooctadecane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-heptatriacontafluoro-18-iodooctadecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C18F37I/c19-1(20,3(23,24)5(27,28)7(31,32)9(35,36)11(39,40)13(43,44)15(47,48)17(51,52)53)2(21,22)4(25,26)6(29,30)8(33,34)10(37,38)12(41,42)14(45,46)16(49,50)18(54,55)56",C18F37I,,,,,,PDUYKNDSQRUXSC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.322,249-871-0,29811-19-6,"Sodium 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) 2-sulphonatobenzoate","sodium 2-{[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]carbonyl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,[Na+].[O-]S(=O)(=O)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C14H8F12O5S.Na/c15-9(16)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)5-31-8(27)6-3-1-2-4-7(6)32(28,29)30;/h1-4,9H,5H2,(H,28,29,30);/q;+1/p-1",C14H8F12O5S.Na,,,,,,MQLGEVBWKKFBQN-UHFFFAOYSA-M,,,,,,,,,,,
100.045.325,249-874-7,29815-94-9,Bis(p-chlorophenoxy)acetic acid,bis(4-chlorophenoxy)acetic acid,OC(=O)C(Oc1ccc(Cl)cc1)Oc2ccc(Cl)cc2,OC(=O)C(Oc1ccc(Cl)cc1)Oc2ccc(Cl)cc2,"InChI=1/C14H10Cl2O4/c15-9-1-5-11(6-2-9)19-14(13(17)18)20-12-7-3-10(16)4-8-12/h1-8,14H,(H,17,18)",C14H10Cl2O4,,,,,,ZKNSZZXBPSICFK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.823,249-320-4,28940-11-6,"7-methyl-2H-benzo-1,5-dioxepin-3(4H)-one","7-methyl-2H-1,5-benzodioxepin-3(4H)-one",Cc1ccc2OCC(=O)COc2c1,Cc1ccc2OCC(=O)COc2c1,"InChI=1/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3",C10H10O3,,,,,,SWUIQEBPZIHZQS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.824,249-322-5,28950-57-4,"N,N,N',N'-tetramethyldodecane-1,12-diamine","N,N,N',N'-tetramethyldodecane-1,12-diamine",CN(C)CCCCCCCCCCCCN(C)C,CN(C)CCCCCCCCCCCCN(C)C,"InChI=1/C16H36N2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(3)4/h5-16H2,1-4H3",C16H36N2,,,,,,STZDFHAKFMWLAD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.832,249-330-9,28958-23-8,Lanthanum tribromate,lanthanum tribromate,[La+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[La+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.La/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3La,,,,,,QNPFDIMIWRIIHK-UHFFFAOYSA-K,,,,,,,,,,,
100.044.833,249-331-4,28958-26-1,Samarium tribromate,-,[Sm+2].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Sm+2].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Sm/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+2/p-3",BrHO3.1/3Sm,,,,,,HUWAPVDWWAQOTP-UHFFFAOYSA-K,,,,,,,,,,,
100.036.078,239-702-9,15626-30-9,4-methyl-1-(3-sulphonatopropyl)pyridinium,3-(4-methylpyridinium-1-yl)propane-1-sulfonate,Cc1cc[n+](CCCS(=O)(=O)[O-])cc1,Cc1cc[n+](CCCS(=O)(=O)[O-])cc1,"InChI=1/C9H13NO3S/c1-9-3-6-10(7-4-9)5-2-8-14(11,12)13/h3-4,6-7H,2,5,8H2,1H3",C9H13NO3S,,,,,,MZRTWEBOYWBGCI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.089,239-714-4,15646-96-5,"2,4,4-trimethylhexa-1,6-diyl diisocyanate","1,6-diisocyanato-2,4,4-trimethylhexane",CC(CN=C=O)CC(C)(C)CCN=C=O,CC(CN=C=O)CC(C)(C)CCN=C=O,"InChI=1/C11H18N2O2/c1-10(7-13-9-15)6-11(2,3)4-5-12-8-14/h10H,4-7H2,1-3H3",C11H18N2O2,,,,,,QGLRLXLDMZCFBP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.090,239-716-5,15647-08-2,2-ethylhexyl diphenyl phosphite,2-ethylhexyl diphenyl phosphite,CCCCC(CC)COP(Oc1ccccc1)Oc2ccccc2,CCCCC(CC)COP(Oc1ccccc1)Oc2ccccc2,"InChI=1/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3",C20H27O3P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11862,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.090,XKZGIJICHCVXFV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.096,239-722-8,15654-53-2,Dirubidium tetrabromopalladate(2-),dirubidium tetrabromopalladate(2-),[Rb+].[Rb+].Br[Pd-2](Br)(Br)Br,[Rb+].[Rb+].Br[Pd-2](Br)(Br)Br,"InChI=1/4BrH.Pd.2Rb/h4*1H;;;/q;;;;+4;2*+1/p-4/rBr4Pd.2Rb/c1-5(2,3)4;;/q;2*+1",Br4Pd.2Rb,,,,,,FWSCFPLSNUSJJB-UHFFFAOYSA-J,,,,,,,,,,,
100.036.099,239-725-4,15655-33-1,(2-heptadecyl(5H)-oxazol-4-ylidene)bis(methylene) distearate,"(2-heptadecyl-4,5-dihydro-1,3-oxazole-4,4-diyl)bis(methylene) dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCCCCCCCCCCCC)COC(=N1)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCCCCCCCCCCCC)COC(=N1)CCCCCCCCCCCCCCCCC,"InChI=1/C58H111NO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55-59-58(52-62-55,53-63-56(60)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-64-57(61)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3",C58H111NO5,,,,,,BPUYDDKNZNJELI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.100,239-727-5,15656-03-8,"Bis(diethyldithiocarbamato-S,S')iron",iron(2+) bis(diethyldithiocarbamate),CCN(CC)C(=S)S[Fe]SC(=S)N(CC)CC,CCN(CC)C(=S)S[Fe]SC(=S)N(CC)CC,"InChI=1/2C5H11NS2.Fe/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2/rC10H20FeN2S4/c1-5-12(6-2)9(14)16-11-17-10(15)13(7-3)8-4/h5-8H2,1-4H3",C10H20FeN2S4,,,,,,WTAJDDHWXARSLK-UHFFFAOYSA-L,,,,,,,,,,,
100.036.102,239-729-6,15658-35-2,"6,6'-dithiodinicotinic acid","6,6'-disulfanediyldinicotinic acid",OC(=O)c1ccc(SSc2ccc(cn2)C(=O)O)nc1,OC(=O)c1ccc(SSc2ccc(cn2)C(=O)O)nc1,"InChI=1/C12H8N2O4S2/c15-11(16)7-1-3-9(13-5-7)19-20-10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)",C12H8N2O4S2,,,,,,GSASOFRDSIKDSN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.106,239-733-8,15663-27-1,cisplatin,platinum(4+) dichloride diazanide,N[Pt](N)(Cl)Cl,N[Pt](N)(Cl)Cl,"InChI=1/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2/rCl2H4N2Pt/c1-5(2,3)4/h3-4H2",Cl2H6N2Pt,,,,,,DQLATGHUWYMOKM-UHFFFAOYSA-L,,,,,,,,,,,
100.032.319,235-564-9,12297-66-4,"Cobalt, compound with lanthanum (5:1)",cobalt - lanthanum (5:1),[Co].[Co].[Co].[Co].[Co].[La],[Co].[Co].[Co].[Co].[Co].[La],InChI=1/5Co.La/q5*+2;+3,Co.La,,,,,,SPALNVXVJWUHHA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.327,235-573-8,12305-84-9,"Cobalt, compound with samarium (7:2)",cobalt - samarium (7:2),[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Sm].[Sm],[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Sm].[Sm],InChI=1/7Co.2Sm/q9*+2,Co.Sm,,,,,,XOMMEFOCIKLJGT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.328,235-574-3,12305-97-4,"Iron, compound with praseodymium (2:1)",iron - praseodymium (2:1),[Fe].[Fe].[Pr],[Fe].[Fe].[Pr],InChI=1/2Fe.Pr/q2*+2;+3,Fe.Pr,,,,,,HIWFBMXRAQKVCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.335,235-582-7,12316-49-3,Tetra[10B]boron carbide,"2,3,4,5-tetraboratetracyclo[2.1.0.0~1,3~.0~2,5~]pentane",B12B3B4B1C234,B12B3B4B1C234,InChI=1/CB4/c2-1-3(2)5(1)4(1)2,CB4,,,,,,INAHAJYZKVIDIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.353,235-602-4,12345-15-2,"Antimony, compound with barium (2:3)",-,[Ba].[Ba].[Ba].[Sb].[Sb],[Ba].[Ba].[Ba].[Sb].[Sb],InChI=1/3Ba.2Sb/q3*+2;2*+3,Ba.Sb,,,,,,CZZJTGVZUBQXHR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.742,239-333-3,15299-99-7,Napropamide,"N,N-diethyl-2-(1-naphthyloxy)propanamide",CCN(CC)C(=O)C(C)Oc1cccc2ccccc12,CCN(CC)C(=O)C(C)Oc1cccc2ccccc12,"InChI=1/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3",C17H21NO2,,,,,,WXZVAROIGSFCFJ-UHFFFAOYSA-N,Positive,AU357301|AU357302|AU357303|AU357304|AU357305;EA012001|EA012002|EA012003|EA012004|EA012005|EA012006|EA012007|EA012008|EA012009|EA012010|EA012011|EA012012|EA012013|EA012014,[M+H]+;[M+H]+,CID10|CID20|CID40|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,272.1643:199.0746:273.1675|171.0797:129.114:199.0746|171.0796:129.1139:143.0844|171.0797:143.0847:153.0686|128.0611:153.0681:127.0533;199.0756:171.0806:128.107|272.1646:199.0755:74.0964|129.1149:171.0805:199.0753|171.0806:129.1149:58.0651|171.0805:58.0651:72.0808|58.0651:72.0808:171.0804|58.0651:128.062:72.0807|272.1645:199.0753:74.0964|129.1148:171.0805:199.0755|171.0805:129.1148:58.0651|171.0805:58.0651:72.0808|58.0651:72.0808:171.0804|58.0651:128.0621:72.0808|199.0754:171.0805:128.107,Athens_Univ;Eawag,,,,,
100.035.747,239-339-6,15302-16-6,Fenozolone,"2-(ethylamino)-5-phenyl-1,3-oxazol-4(5H)-one",CCNC1=NC(=O)C(O1)c2ccccc2,CCNC1=NC(=O)C(O1)c2ccccc2,"InChI=1/C11H12N2O2/c1-2-12-11-13-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14)",C11H12N2O2,,,,,,RXOIEVSUURELPG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.509,241-276-4,17243-14-0,"Didodecyl 3,3'-sulphinylbispropionate","didodecyl 3,3'-sulfinyldipropanoate",CCCCCCCCCCCCOC(=O)CCS(=O)CCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCS(=O)CCC(=O)OCCCCCCCCCCCC,"InChI=1/C30H58O5S/c1-3-5-7-9-11-13-15-17-19-21-25-34-29(31)23-27-36(33)28-24-30(32)35-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C30H58O5S,,,,,,XQQARSOXXGMYHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.511,241-279-0,17243-57-1,Mefenorex,3-chloro-N-(1-methyl-2-phenylethyl)propan-1-amine,CC(Cc1ccccc1)NCCCCl,CC(Cc1ccccc1)NCCCCl,"InChI=1/C12H18ClN/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3",C12H18ClN,,,,,,XXVROGAVTTXONC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.565,245-738-6,23560-69-2,"2-chlorodibenz[b,e]oxepin-11(6H)-one","2-chlorodibenzo[b,e]oxepin-11(6H)-one",Clc1ccc2OCc3ccccc3C(=O)c2c1,Clc1ccc2OCc3ccccc3C(=O)c2c1,"InChI=1/C14H9ClO2/c15-10-5-6-13-12(7-10)14(16)11-4-2-1-3-9(11)8-17-13/h1-7H,8H2",C14H9ClO2,,,,,,KIEQOHOJVVIDNO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.567,245-740-7,23564-05-8,Thiophanate-methyl,"dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate",COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,"InChI=1/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)",C12H14N4O4S2,,,,,,QGHREAKMXXNCOA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.572,245-745-4,23567-67-1,"p-(1,2,3,4-thiatriazol-5-ylamino)phenol","4-(1,2,3,4-thiatriazol-5-ylamino)phenol",Oc1ccc(Nc2nnns2)cc1,Oc1ccc(Nc2nnns2)cc1,"InChI=1/C7H6N4OS/c12-6-3-1-5(2-4-6)8-7-9-10-11-13-7/h1-4,12H,(H,8,9,11)",C7H6N4OS,,,,,,HSMPDEMRJJNQME-UHFFFAOYSA-N,,,,,,,,,,,
100.041.576,245-750-1,23579-12-6,(carboxymethyl)trimethylammonium a-ethyl-1-hydroxycyclohexaneacetate,"carboxy-N,N,N-trimethylmethanaminium 2-(1-hydroxycyclohexyl)butanoate",CCC(C(=O)[O-])C1(O)CCCCC1.C[N+](C)(C)CC(=O)O,CCC(C(=O)[O-])C1(O)CCCCC1.C[N+](C)(C)CC(=O)O,"InChI=1/C10H18O3.C5H11NO2/c1-2-8(9(11)12)10(13)6-4-3-5-7-10;1-6(2,3)4-5(7)8/h8,13H,2-7H2,1H3,(H,11,12);4H2,1-3H3",C10H17O3.C5H12NO2,,,,,,IZDWFXDNLQBVBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.579,245-753-8,23582-02-7,Bis[2-(diphenylphosphino)ethyl]phenylphosphine,"[(phenylphosphinediyl)diethane-2,1-diyl]bis(diphenylphosphine)",C(CP(c1ccccc1)c2ccccc2)P(CCP(c3ccccc3)c4ccccc4)c5ccccc5,C(CP(c1ccccc1)c2ccccc2)P(CCP(c3ccccc3)c4ccccc4)c5ccccc5,"InChI=1/C34H33P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2",C34H33P3,,,,,,AXVOAMVQOCBPQT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.287,249-832-8,29767-87-1,2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride,"2-{[4-(dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chloride",[Cl-].CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[Cl-].CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C17H19N4OS.ClH/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;/h5-11H,1-4H3;1H/q+1;/p-1",C17H19N4OS.Cl,,,,,,YVYBKHKPPKMNDB-UHFFFAOYSA-M,,,,,,,,,,,
100.045.289,249-834-9,29770-14-7,"2,3-dimethyl-6-nitrobenzothiazolium p-toluenesulphonate","2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].Cc2sc3cc(ccc3[n+]2C)[N+](=O)[O-],Cc1ccc(cc1)S(=O)(=O)[O-].Cc2sc3cc(ccc3[n+]2C)[N+](=O)[O-],"InChI=1/C9H9N2O2S.C7H8O3S/c1-6-10(2)8-4-3-7(11(12)13)5-9(8)14-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C9H9N2O2S.C7H7O3S,,,,,,QHVZYSIEYHLOJN-UHFFFAOYSA-M,,,,,,,,,,,
100.045.294,249-840-1,29777-36-4,"2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetrakis(3-methoxyphenyl)-1,1'-bi-1H-imidazole","2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetrakis(3-methoxyphenyl)-1,1'-biimidazole",COc1cccc(c1)c2nc(c3ccccc3Cl)n(c2c4cccc(OC)c4)n5c(nc(c6cccc(OC)c6)c5c7cccc(OC)c7)c8ccccc8Cl,COc1cccc(c1)c2nc(c3ccccc3Cl)n(c2c4cccc(OC)c4)n5c(nc(c6cccc(OC)c6)c5c7cccc(OC)c7)c8ccccc8Cl,"InChI=1/C46H36Cl2N4O4/c1-53-33-17-9-13-29(25-33)41-43(31-15-11-19-35(27-31)55-3)51(45(49-41)37-21-5-7-23-39(37)47)52-44(32-16-12-20-36(28-32)56-4)42(30-14-10-18-34(26-30)54-2)50-46(52)38-22-6-8-24-40(38)48/h5-28H,1-4H3",C46H36Cl2N4O4,,,,,,BMHQBXUGLBYQIN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.295,249-841-7,29777-42-2,1-[(1-hydroxy-2-naphthyl)carbonyl]piperidine,2-(piperidin-1-ylcarbonyl)-1-naphthol,Oc1c(ccc2ccccc12)C(=O)N3CCCCC3,Oc1c(ccc2ccccc12)C(=O)N3CCCCC3,"InChI=1/C16H17NO2/c18-15-13-7-3-2-6-12(13)8-9-14(15)16(19)17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-11H2",C16H17NO2,,,,,,FQCIVXJPSZVUCI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.297,249-843-8,29779-15-5,"Tetrasodium 2-[[4-[[4-[[4-chloro-6-[N-(sulphonatomethyl)anilino]-1,3,5-triazin-2-yl]amino]-7-sulphonato-1-naphthyl]azo]-5-methoxy-o-tolyl]azo]benzene-1,4-disulphonate","tetrasodium 2-[(4-{[4-({4-chloro-6-[phenyl(sulfonatomethyl)amino]-1,3,5-triazin-2-yl}amino)-7-sulfonato-1-naphthyl]diazenyl}-5-methoxy-2-methylphenyl)diazenyl]benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].COc1cc(N=Nc2cc(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)cc1N=Nc3ccc(Nc4nc(Cl)nc(n4)N(CS(=O)(=O)[O-])c5ccccc5)c6ccc(cc36)S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].COc1cc(N=Nc2cc(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)cc1N=Nc3ccc(Nc4nc(Cl)nc(n4)N(CS(=O)(=O)[O-])c5ccccc5)c6ccc(cc36)S(=O)(=O)[O-],"InChI=1/C34H28ClN9O13S4.4Na/c1-19-14-28(30(57-2)17-27(19)41-43-29-16-22(60(51,52)53)9-13-31(29)61(54,55)56)42-40-26-12-11-25(23-10-8-21(15-24(23)26)59(48,49)50)36-33-37-32(35)38-34(39-33)44(18-58(45,46)47)20-6-4-3-5-7-20;;;;/h3-17H,18H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,36,37,38,39);;;;/q;4*+1/p-4",C34H28ClN9O13S4.4Na,,,,,,GYJVNJFBOLPDEO-UHFFFAOYSA-J,,,,,,,,,,,
100.045.301,249-848-5,29782-68-1,Silidianin,"7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)-2,3,3a,7a-tetrahydro-3,6-methano-1-benzofuran-7(6H)-one",COc1cc(ccc1O)C2C3COC4(O)C3C(=CC2C4=O)C5Oc6cc(O)cc(O)c6C(=O)C5O,COc1cc(ccc1O)C2C3COC4(O)C3C(=CC2C4=O)C5Oc6cc(O)cc(O)c6C(=O)C5O,"InChI=1/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3",C25H22O10,,,,,,CYGIJEJDYJOUAN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.444,244-505-6,21653-40-7,(S)-5-(amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride,N~2~-benzoyl-N-(4-nitrophenyl)-L-argininamide hydrochloride,Cl.NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],Cl.NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C19H22N6O4.ClH/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29;/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22);1H",C19H22N6O4.ClH,,,,,,DEOKFPFLXFNAON-NTISSMGPSA-N,,,,,,,,,,,
100.040.446,244-507-7,21655-84-5,"1-methyl-9H-pyrido[3,4-b]indole hydrochloride",1-methyl-9H-beta-carboline hydrochloride,Cl.Cc1nccc2c3ccccc3[nH]c12,Cl.Cc1nccc2c3ccccc3[nH]c12,"InChI=1/C12H10N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-7,14H,1H3;1H",C12H10N2.ClH,,,,,,COVNOIRYDKHLJD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.448,244-509-8,21656-26-8,"3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid","3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid",CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)O)c1I,CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C12H11I3N2O4/c1-4(18)17(3)10-8(14)5(11(19)16-2)7(13)6(9(10)15)12(20)21/h1-3H3,(H,16,19)(H,20,21)",C12H11I3N2O4,,,,,,RSYPDFSNPVTGBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.453,244-515-0,21662-13-5,"(2E,6Z)-dodeca-2,6-dienal","dodeca-2,6-dienal",CCCCC\\C=C/CC\\C=C\\C=O,CCCCC\C=C/CC\C=C\C=O,"InChI=1/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3",C12H20O,,,,,,VPEGROOEBNSCCL-JFEAUALZSA-N,,,,,,,,,,,
100.044.038,248-457-7,27432-39-9,1-(2-methoxyphenyl)butan-2-one,1-(2-methoxyphenyl)butan-2-one,CCC(=O)Cc1ccccc1OC,CCC(=O)Cc1ccccc1OC,"InChI=1/C11H14O2/c1-3-10(12)8-9-6-4-5-7-11(9)13-2/h4-7H,3,8H2,1-2H3",C11H14O2,,,,,,XGXSLZMKKZHYTA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.041,248-460-3,27441-70-9,"Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanesulphonate","sodium 2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethanesulfonate",[Na+].[O-]S(=O)(=O)CCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,[Na+].[O-]S(=O)(=O)CCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C17H17ClN2O5S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)26(21,22)11-12-27(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1",C17H17ClN2O5S2.Na,,,,,,CUKVLWAEAKAWHX-UHFFFAOYSA-M,,,,,,,,,,,
100.044.044,248-464-5,27447-36-5,"N,N-diethyl-p-vinylphenethylamine","N,N-diethyl-2-(4-vinylphenyl)ethanamine",CCN(CC)CCc1ccc(C=C)cc1,CCN(CC)CCc1ccc(C=C)cc1,"InChI=1/C14H21N/c1-4-13-7-9-14(10-8-13)11-12-15(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3",C14H21N,,,,,,BIOCRZSYHQYVSG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.048,248-468-7,27458-90-8,Di-tert-dodecyl disulphide,"2,2'-disulfanediylbis(2-methylundecane)",CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC,CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC,"InChI=1/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3",C24H50S2,,,,,,LEDIWWJKWAMGLD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.063,248-484-4,27478-34-8,Dinitronaphthalene,"1,2-dinitronaphthalene",[O-][N+](=O)c1ccc2ccccc2c1[N+](=O)[O-],[O-][N+](=O)c1ccc2ccccc2c1[N+](=O)[O-],InChI=1/C10H6N2O4/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16/h1-6H,C10H6N2O4,,,,,,XNKFCDGEFCOQOM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.064,248-486-5,27479-28-3,Dodecyl(ethylbenzyl)dimethylammonium chloride,"N-(2-ethylbenzyl)-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1CC,[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1CC,"InChI=1/C23H42N.ClH/c1-5-7-8-9-10-11-12-13-14-17-20-24(3,4)21-23-19-16-15-18-22(23)6-2;/h15-16,18-19H,5-14,17,20-21H2,1-4H3;1H/q+1;/p-1",C23H42N.Cl,,,,,,ZMWIUPYOXHEWCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.066,248-488-6,27479-35-2,Bis(methylcyclohexyl) adipate,bis(1-methylcyclohexyl) adipate,CC1(CCCCC1)OC(=O)CCCCC(=O)OC2(C)CCCCC2,CC1(CCCCC1)OC(=O)CCCCC(=O)OC2(C)CCCCC2,"InChI=1/C20H34O4/c1-19(13-7-3-8-14-19)23-17(21)11-5-6-12-18(22)24-20(2)15-9-4-10-16-20/h3-16H2,1-2H3",C20H34O4,,,,,,QNQFYZMDBGPUMK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.072,248-494-9,27492-84-8,Methyl 4-amino-o-anisate,methyl 4-amino-2-methoxybenzoate,COC(=O)c1ccc(N)cc1OC,COC(=O)c1ccc(N)cc1OC,"InChI=1/C9H11NO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,10H2,1-2H3",C9H11NO3,,,,,,YUPQMVSYNJQULF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.074,248-497-5,27496-82-8,Methylenedisalicylic acid,"2,2'-[methylenebis(oxy)]dibenzoic acid",OC(=O)c2ccccc2OCOc1ccccc1C(O)=O,OC(=O)c2ccccc2OCOc1ccccc1C(O)=O,"InChI=1/C15H12O6/c16-14(17)10-5-1-3-7-12(10)20-9-21-13-8-4-2-6-11(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)",C15H12O6,,,,,,SWHSXWLSBBYLGM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.080,248-504-1,27515-66-8,Diisobutylphenol,"2,3-diisobutylphenol",CC(C)Cc1cccc(O)c1CC(C)C,CC(C)Cc1cccc(O)c1CC(C)C,"InChI=1/C14H22O/c1-10(2)8-12-6-5-7-14(15)13(12)9-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3",C14H22O,,,,,,STMRWVUTGPZZER-UHFFFAOYSA-N,,,,,,,,,,,
100.044.846,249-346-6,28977-58-4,"(E)-2,6-dimethylocta-1,5,7-trien-3-ol","2,6-dimethylocta-1,5,7-trien-3-ol",CC(=C)C(O)C\\C=C(/C)\\C=C,CC(=C)C(O)C\C=C(/C)\C=C,"InChI=1/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3",C10H16O,,,,,,TYDDWHVJHGIJCW-RMKNXTFCSA-N,,,,,,,,,,,
100.044.856,249-357-6,28984-89-6,"Phenoxy-1,1'-biphenyl",2-phenoxybiphenyl,O(c1ccccc1)c2ccccc2c3ccccc3,O(c1ccccc1)c2ccccc2c3ccccc3,InChI=1/C18H14O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16/h1-14H,C18H14O,,,,,,UHJWZORSTYATLW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.870,249-372-8,29021-37-2,2-pinen-10-yl isobutyrate,"(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2-methylpropanoate",CC(C)C(=O)OCC1=CCC2CC1C2(C)C,CC(C)C(=O)OCC1=CCC2CC1C2(C)C,"InChI=1/C14H22O2/c1-9(2)13(15)16-8-10-5-6-11-7-12(10)14(11,3)4/h5,9,11-12H,6-8H2,1-4H3",C14H22O2,,,,,,HPAQTXNDJUZELN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.948,246-159-1,24318-43-2,p-methoxybenzyl p-anisate,4-methoxybenzyl 4-methoxybenzoate,COc1ccc(COC(=O)c2ccc(OC)cc2)cc1,COc1ccc(COC(=O)c2ccc(OC)cc2)cc1,"InChI=1/C16H16O4/c1-18-14-7-3-12(4-8-14)11-20-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3",C16H16O4,,,,,,PUXJRQHDLYGOCY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.949,246-160-7,24320-15-8,"9-bromo-11ß,17-dihydroxypregn-4-ene-3,20-dione 17-acetate","9-bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]12C)C(=O)C,"InChI=1/C23H31BrO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3",C23H31BrO5,,,,,,BSBKWSKMSCDDNJ-FQJIPJFPSA-N,,,,,,,,,,,
100.041.955,246-167-5,24324-17-2,(fluoren-9-yl)methanol,9H-fluoren-9-ylmethanol,OCC1c2ccccc2c3ccccc13,OCC1c2ccccc2c3ccccc13,"InChI=1/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2",C14H12O,,,,,,XXSCONYSQQLHTH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.959,246-171-7,24327-08-0,"Endo-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride","3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione",O=C1OC(=O)[C@H]3[C@@H]1[C@H]2/C=C\\[C@@H]3CC2,O=C1OC(=O)[C@H]3[C@@H]1[C@H]2/C=C\[C@@H]3CC2,"InChI=1/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2",C10H10O3,,,,,,YIHKILSPWGDWPR-KVFPUHGPSA-N,,,,,,,,,,,
100.041.960,246-172-2,24330-52-7,"Butane-1,3-dithiol","butane-1,3-dithiol",CC(S)CCS,CC(S)CCS,"InChI=1/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",C4H10S2,,,,,,XMEPRJBZFCWFKN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.966,246-179-0,24342-97-0,"2,3,5,6-tetrachloro-p-xylene-a,a'-diamine","(2,3,5,6-tetrachloro-1,4-phenylene)dimethanamine",NCc1c(Cl)c(Cl)c(CN)c(Cl)c1Cl,NCc1c(Cl)c(Cl)c(CN)c(Cl)c1Cl,"InChI=1/C8H8Cl4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2,13-14H2",C8H8Cl4N2,,,,,,SEDAWQAAXOJIPH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.975,246-189-5,24351-11-9,"5,6-dichloro-1-ethyl-2-methyl-3-(3-sulphonatopropyl)-1H-benzimidazolium","3-(5,6-dichloro-3-ethyl-2-methyl-2,3-dihydro-1H-3,1-benzimidazol-3-ium-1-yl)propane-1-sulfonate",CC[NH+]1C(C)N(CCCS(=O)(=O)[O-])c2cc(Cl)c(Cl)cc12,CC[NH+]1C(C)N(CCCS(=O)(=O)[O-])c2cc(Cl)c(Cl)cc12,"InChI=1/C13H18Cl2N2O3S/c1-3-16-9(2)17(5-4-6-21(18,19)20)13-8-11(15)10(14)7-12(13)16/h7-9H,3-6H2,1-2H3,(H,18,19,20)",C13H16Cl2N2O3S,,,,,,QOCUQJWYFQOIQC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.976,246-190-0,24351-12-0,"5,6-dichloro-1,3-diethyl-2-methyl-1H-benzimidazolium iodide","5,6-dichloro-1,3-diethyl-2-methyl-2,3-dihydro-1H-benzimidazol-1-ium iodide",[I-].CCN1C(C)[NH+](CC)c2cc(Cl)c(Cl)cc12,[I-].CCN1C(C)[NH+](CC)c2cc(Cl)c(Cl)cc12,"InChI=1/C12H16Cl2N2.HI/c1-4-15-8(3)16(5-2)12-7-10(14)9(13)6-11(12)15;/h6-8H,4-5H2,1-3H3;1H",C12H15Cl2N2.I,,,,,,BWKCTRNUADVCOH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.980,246-194-2,24356-60-3,Sodium (6R-trans)-3-(acetoxymethyl)-8-oxo-7-[(4-pyridylthio)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 3-(acetoxymethyl)-8-oxo-7-{[(pyridin-4-ylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].O=C2[C@H](NC(=O)CSc1ccncc1)[C@@H]3SC\\C(COC(C)=O)=C(/N23)C([O-])=O,[Na+].O=C2[C@H](NC(=O)CSc1ccncc1)[C@@H]3SC\C(COC(C)=O)=C(/N23)C([O-])=O,"InChI=1/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1",C17H17N3O6S2.Na,,,,,,VGEOUKPOQQEQSX-LINSIKMZSA-M,,,,,,,,,,,
100.041.985,246-200-3,24358-62-1,p-bromo-a-methylbenzylamine,1-(4-bromophenyl)ethanamine,CC(N)c1ccc(Br)cc1,CC(N)c1ccc(Br)cc1,"InChI=1/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3",C8H10BrN,,,,,,SOZMSEPDYJGBEK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.584,245-759-0,23583-21-3,Ethyl N-benzyl-ß-alaninate,ethyl N-benzyl-beta-alaninate,CCOC(=O)CCNCc1ccccc1,CCOC(=O)CCNCc1ccccc1,"InChI=1/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3",C12H17NO2,,,,,,HCTJHQFFNDLDPF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.593,245-769-5,23597-90-2,Sodium 2-hydroxy-4-(methylthio)butyrate,sodium 2-hydroxy-4-(methylsulfanyl)butanoate,[Na+].CSCCC(O)C(=O)[O-],[Na+].CSCCC(O)C(=O)[O-],"InChI=1/C5H10O3S.Na/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1",C5H10O3S.Na,,,,,,JNATWEVVLQFGLU-UHFFFAOYSA-M,,,,,,,,,,,
100.037.523,241-292-1,17257-71-5,(-)-a-methoxy-a-(trifluoromethyl)phenylacetic acid,"3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",COC(C(=O)O)(c1ccccc1)C(F)(F)F,COC(C(=O)O)(c1ccccc1)C(F)(F)F,"InChI=1/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)",C10H9F3O3,,,,,,JJYKJUXBWFATTE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.524,241-293-7,17261-28-8,2-diphenylphosphinobenzoic acid,2-(diphenylphosphino)benzoic acid,OC(=O)c1ccccc1P(c2ccccc2)c3ccccc3,OC(=O)c1ccccc1P(c2ccccc2)c3ccccc3,"InChI=1/C19H15O2P/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)",C19H15O2P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11059,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.524,UYRPRYSDOVYCOU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.526,241-295-8,17264-02-7,a-ethylcyclohexane-1-methanol,1-cyclohexylpropan-1-ol,CCC(O)C1CCCCC1,CCC(O)C1CCCCC1,"InChI=1/C9H18O/c1-2-9(10)8-6-4-3-5-7-8/h8-10H,2-7H2,1H3",C9H18O,,,,,,JVTXOMXEPFDMHB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.527,241-296-3,17264-53-8,Sodium p-tert-butylbenzoate,sodium 4-tert-butylbenzoate,[Na+].CC(C)(C)c1ccc(cc1)C(=O)[O-],[Na+].CC(C)(C)c1ccc(cc1)C(=O)[O-],"InChI=1/C11H14O2.Na/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+1/p-1",C11H14O2.Na,,,,,,KTTMJIJHZNYOFB-UHFFFAOYSA-M,,,,,,,,,,,
100.037.529,241-298-4,17265-13-3,Disodium azelate,disodium azelaate,[Na+].[Na+].[O-]C(=O)CCCCCCCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CCCCCCCC(=O)[O-],"InChI=1/C9H16O4.2Na/c10-8(11)6-4-2-1-3-5-7-9(12)13;;/h1-7H2,(H,10,11)(H,12,13);;/q;2*+1/p-2",C9H16O4.2Na,,,,,,QFYNUCAKHMSPCY-UHFFFAOYSA-L,,,,,,,,,,,
100.037.531,241-301-9,17265-30-4,Sodium undecanoate,sodium undecanoate,[Na+].CCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCCC(=O)[O-],"InChI=1/C11H22O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2-10H2,1H3,(H,12,13);/q;+1/p-1",C11H22O2.Na,,,,,,ZOOPHYLANWVUDY-UHFFFAOYSA-M,,,,,,,,,,,
100.037.536,241-307-1,17275-59-1,Dilithium hexafluorozirconate(2-),dilithium hexafluorozirconate(2-),[Li+].[Li+].F[Zr-2](F)(F)(F)(F)F,[Li+].[Li+].F[Zr-2](F)(F)(F)(F)F,"InChI=1/6FH.2Li.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rF6Zr.2Li/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Zr.2Li,,,,,,WZTMZLBJVVIBSA-UHFFFAOYSA-H,,,,,,,,,,,
100.032.708,235-995-2,13085-50-2,2'-deoxycytidine 5'-(disodium phosphate),disodium 4-amino-1-(2-deoxy-5-O-phosphonatopentofuranosyl)pyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O[Na])O[Na])O2,NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O[Na])O[Na])O2,"InChI=1/C9H14N3O7P.2Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17;;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17);;/q;2*+1/p-2/rC9H12N3Na2O7P/c10-7-1-2-12(9(16)11-7)8-3-5(15)6(19-8)4-18-22(17,20-13)21-14/h1-2,5-6,8,15H,3-4H2,(H2,10,11,16)",C9H14N3O7P.2Na,,,,,,IJFRULGDDRUYQN-UHFFFAOYSA-L,,,,,,,,,,,
100.032.709,235-996-8,13086-84-5,"Bis(1,1-dimethylethyl) phosphonate",di-tert-butyl phosphonate,CC(C)(C)OP(=O)OC(C)(C)C,CC(C)(C)OP(=O)OC(C)(C)C,"InChI=1/C8H19O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h12H,1-6H3",C8H19O3P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16557,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.709,HLMXUWAUCZMWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.712,235-999-4,13088-64-7,Hexahydro-1-(hydroxymethyl)-2H-azepin-2-one,1-(hydroxymethyl)azepan-2-one,OCN1CCCCCC1=O,OCN1CCCCCC1=O,"InChI=1/C7H13NO2/c9-6-8-5-3-1-2-4-7(8)10/h9H,1-6H2",C7H13NO2,,,,,,QBUDWHWPQWURCC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.714,236-002-5,13090-86-3,"Benzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","2,2',2''-nitrilotriethanol benzoate (salt)",OCCN(CCO)CCO.OC(=O)c1ccccc1,OCCN(CCO)CCO.OC(=O)c1ccccc1,"InChI=1/C7H6O2.C6H15NO3/c8-7(9)6-4-2-1-3-5-6;8-4-1-7(2-5-9)3-6-10/h1-5H,(H,8,9);8-10H,1-6H2",C7H6O2.C6H15NO3,,,,,,LBCOWMYTAXJNER-UHFFFAOYSA-N,,,,,,,,,,,
100.032.717,236-005-1,13093-04-4,"N,N'-dimethylhexane-1,6-diamine","N,N'-dimethylhexane-1,6-diamine",CNCCCCCCNC,CNCCCCCCNC,"InChI=1/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3",C8H20N2,,,,,,MDKQJOKKKZNQDG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.723,236-011-4,13095-41-5,2-naphthyl dihydrogen phosphate,2-naphthyl dihydrogen phosphate,OP(=O)(O)Oc1ccc2ccccc2c1,OP(=O)(O)Oc1ccc2ccccc2c1,"InChI=1/C10H9O4P/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)",C10H9O4P,,,,,,CQTZJAKSNDFPOB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.733,236-022-4,13102-34-6,"2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(2,5-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2cc(Cl)ccc2Cl,CC1=NN(C(=O)C1)c2cc(Cl)ccc2Cl,"InChI=1/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3",C10H8Cl2N2O,,,,,,FCWUFSJRTXLBTH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.120,239-749-5,15673-00-4,"3,3-dimethylbutylamine","3,3-dimethylbutan-1-amine",CC(C)(C)CCN,CC(C)(C)CCN,"InChI=1/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3",C6H15N,,,,,,GPWHFPWZAPOYNO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.627,241-407-5,17371-45-8,"ß-methyl-a,a-diphenylpiperidine-1-butyronitrile","3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile",CC(CN1CCCCC1)C(C#N)(c2ccccc2)c3ccccc3,CC(CN1CCCCC1)C(C#N)(c2ccccc2)c3ccccc3,"InChI=1/C22H26N2/c1-19(17-24-15-9-4-10-16-24)22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3",C22H26N2,,,,,,HGKFSYSKZCQWHP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.303,249-850-6,29789-01-3,"trans-(±)-a,a,4-trimethylcyclohexanemethanol",2-(4-methylcyclohexyl)propan-2-ol,CC1CCC(CC1)C(C)(C)O,CC1CCC(CC1)C(C)(C)O,"InChI=1/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,UODXCYZDMHPIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.314,249-862-1,29806-73-3,2-ethylhexyl palmitate,2-ethylhexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3",C24H48O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15089,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.314,SFAAOBGYWOUHLU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.324,249-873-1,29813-38-5,Calcium nonan-1-oate,calcium dinonanoate,[Ca+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-],"InChI=1/2C9H18O2.Ca/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Ca,,,,,,QSSGIYRIEKPVTG-UHFFFAOYSA-L,,,,,,,,,,,
100.045.327,249-876-8,29817-35-4,N'-methylacetohydrazide,N'-methylacetohydrazide,CNNC(=O)C,CNNC(=O)C,"InChI=1/C3H8N2O/c1-3(6)5-4-2/h4H,1-2H3,(H,5,6)",C3H8N2O,,,,,,OMMMMWZZJZZMLV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.826,249-324-6,28950-63-2,"Hexasodium 4,4'-bis[[4,6-bis(m-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","hexasodium 2,2'-ethene-1,2-diylbis[5-({4,6-bis[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)[O-])nc(Nc4ccc(\\C=C\\c5ccc(Nc6nc(Nc7cccc(c7)S(=O)(=O)[O-])nc(Nc8cccc(c8)S(=O)(=O)[O-])n6)cc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])n2)c1,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)[O-])nc(Nc4ccc(\C=C\c5ccc(Nc6nc(Nc7cccc(c7)S(=O)(=O)[O-])nc(Nc8cccc(c8)S(=O)(=O)[O-])n6)cc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])n2)c1,"InChI=1/C44H36N12O18S6.6Na/c57-75(58,59)33-9-1-5-27(19-33)45-39-51-40(46-28-6-2-10-34(20-28)76(60,61)62)54-43(53-39)49-31-17-15-25(37(23-31)79(69,70)71)13-14-26-16-18-32(24-38(26)80(72,73)74)50-44-55-41(47-29-7-3-11-35(21-29)77(63,64)65)52-42(56-44)48-30-8-4-12-36(22-30)78(66,67)68;;;;;;/h1-24H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;;;;;/q;6*+1/p-6",C44H36N12O18S6.6Na,,,,,,MLTSEYBWAHDHGZ-SSXBCGQJSA-H,,,,,,,,,,,
100.044.830,249-328-8,28956-89-0,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate","11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl benzoate",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](OC(=O)c5ccccc5)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](OC(=O)c5ccccc5)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3",C28H34O6,,,,,,LPEYMYDYPGRLBU-YGZHYJPASA-N,,,,,,,,,,,
100.044.843,249-342-4,28972-21-6,"Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, hydrochloride, (5a,12ß,19a)-","methyl 2,3,6,7-tetradehydroaspidospermidine-3-carboxylate hydrochloride",Cl.CC[C@@]12CC(=C3Nc4ccccc4[C@]35CCN(CC=C1)[C@@H]25)C(=O)OC,Cl.CC[C@@]12CC(=C3Nc4ccccc4[C@]35CCN(CC=C1)[C@@H]25)C(=O)OC,"InChI=1/C21H24N2O2.ClH/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2;/h4-9,19,22H,3,10-13H2,1-2H3;1H",C21H24N2O2.xClH,,,,,,BBASQSWPQOKOQI-OBEKMTESSA-N,,,,,,,,,,,
100.044.847,249-347-1,28980-47-4,Antimony arsenate,antimony(3+) arsenate,[SbH3+3].[O-][As](=O)([O-])[O-],[SbH3+3].[O-][As](=O)([O-])[O-],"InChI=1/AsH3O4.Sb.3H/c2-1(3,4)5;;;;/h(H3,2,3,4,5);;;;/q;+3;;;/p-3/rAsH3O4.H3Sb/c2-1(3,4)5;/h(H3,2,3,4,5);1H3/q;+3/p-3",AsO4Sb,,,,,,OXNIMFDWZBJONY-UHFFFAOYSA-K,,,,,,,,,,,
100.044.859,249-360-2,28990-85-4,Perchlorophenyl 5-oxo-L-prolinate,pentachlorophenyl 5-oxoprolinate,Clc1c(Cl)c(Cl)c(OC(=O)C2CCC(=O)N2)c(Cl)c1Cl,Clc1c(Cl)c(Cl)c(OC(=O)C2CCC(=O)N2)c(Cl)c1Cl,"InChI=1/C11H6Cl5NO3/c12-5-6(13)8(15)10(9(16)7(5)14)20-11(19)3-1-2-4(18)17-3/h3H,1-2H2,(H,17,18)",C11H6Cl5NO3,,,,,,ZKGMBAZWQLUSMW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.866,249-368-6,29011-65-2,Trimethyladipic anhydride,"6,6'-oxybis(4,5,5-trimethyl-6-oxohexanoic acid)",CC(CCC(=O)O)C(C)(C)C(=O)OC(=O)C(C)(C)C(C)CCC(=O)O,CC(CCC(=O)O)C(C)(C)C(=O)OC(=O)C(C)(C)C(C)CCC(=O)O,"InChI=1/C18H30O7/c1-11(7-9-13(19)20)17(3,4)15(23)25-16(24)18(5,6)12(2)8-10-14(21)22/h11-12H,7-10H2,1-6H3,(H,19,20)(H,21,22)",C9H14O3,,,,,,GPTAHQHEAYOHBF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.867,249-369-1,29013-28-3,"Palmitic acid, monoester with propane-1,2-diol",2-hydroxypropyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(C)O,CCCCCCCCCCCCCCCC(=O)OCC(C)O,"InChI=1/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-17-18(2)20/h18,20H,3-17H2,1-2H3",C19H38O3,,,,,,FAQKRSYDADCZGK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.871,249-373-3,29022-11-5,N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine,OC(=O)CNC(=O)OCC1c2ccccc2c3ccccc13,OC(=O)CNC(=O)OCC1c2ccccc2c3ccccc13,"InChI=1/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)",C17H15NO4,,,,,,NDKDFTQNXLHCGO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.950,246-161-2,24320-24-9,"9-chloro-6a,11ß-difluoro-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-valerate","9-chloro-6,11-difluoro-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate",CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](F)C[C@]12C,CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](F)C[C@]12C,"InChI=1/C27H35ClF2O4/c1-5-6-7-23(33)34-14-21(32)24-15(2)10-17-18-12-20(29)19-11-16(31)8-9-26(19,4)27(18,28)22(30)13-25(17,24)3/h8-9,11,15,17-18,20,22,24H,5-7,10,12-14H2,1-4H3",C27H35ClF2O4,,,,,,ZQNXBAZRKNDZQZ-YTFFSALGSA-N,,,,,,,,,,,
100.044.086,248-510-4,27530-63-8,"[1S-(1a,3aß,4a,8aß)]-2-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)ethyl acetate","2-(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-ylidene)ethyl acetate",CC(=O)OCC=C1C2CCC3C2C(C)(C)CCCC13C,CC(=O)OCC=C1C2CCC3C2C(C)(C)CCCC13C,"InChI=1/C18H28O2/c1-12(19)20-11-8-14-13-6-7-15-16(13)17(2,3)9-5-10-18(14,15)4/h8,13,15-16H,5-7,9-11H2,1-4H3",C18H28O2,,,,,,GKYMEBBVOZBYSE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.618,250-195-3,30431-54-0,"Bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate","bis{3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl} oxalate",CCCCCOC(=O)c1c(Cl)c(Cl)cc(Cl)c1OC(=O)C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2C(=O)OCCCCC,CCCCCOC(=O)c1c(Cl)c(Cl)cc(Cl)c1OC(=O)C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2C(=O)OCCCCC,"InChI=1/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3",C26H24Cl6O8,,,,,,TZZLVFUOAYMTHA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.753,244-845-5,22212-55-1,"Ethyl N-benzoyl-N-(3,4-dichlorophenyl)-DL-alaninate","ethyl N-benzoyl-N-(3,4-dichlorophenyl)alaninate",CCOC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(Cl)c(Cl)c2,CCOC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(Cl)c(Cl)c2,"InChI=1/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3",C18H17Cl2NO3,,,,,,SLCGUGMPSUYJAY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.760,244-852-3,22232-01-5,"Bis(2-aminoethanol), diester with boric acid",bis(2-aminoethyl) hydrogen borate,NCCOB(O)OCCN,NCCOB(O)OCCN,"InChI=1/C4H13BN2O3/c6-1-3-9-5(8)10-4-2-7/h8H,1-4,6-7H2",C4H13BN2O3,,,,,,UKSJHEHERZWQRA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.761,244-853-9,22232-25-3,"Disodium 2,2'-methylenebis(4-chlorophenolate)","disodium 2,2'-methylenebis(4-chlorophenolate)",[Na+].[Na+].[O-]c1ccc(Cl)cc1Cc2cc(Cl)ccc2[O-],[Na+].[Na+].[O-]c1ccc(Cl)cc1Cc2cc(Cl)ccc2[O-],"InChI=1/C13H10Cl2O2.2Na/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;;/h1-4,6-7,16-17H,5H2;;/q;2*+1/p-2",C13H10Cl2O2.2Na,,,,,,IDPAELWVMULBFJ-UHFFFAOYSA-L,,,,,,,,,,,
100.040.764,244-857-0,22232-71-9,Mazindol,"5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol",OC1(N2CCN=C2c3ccccc13)c4ccc(Cl)cc4,OC1(N2CCN=C2c3ccccc13)c4ccc(Cl)cc4,"InChI=1/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2",C16H13ClN2O,,,,,,ZPXSCAKFGYXMGA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.773,244-867-5,22251-63-4,"5-ethyl-2-phenyl-1,3-dioxane-5-methanol","(5-ethyl-2-phenyl-1,3-dioxan-5-yl)methanol",CCC1(CO)COC(OC1)c2ccccc2,CCC1(CO)COC(OC1)c2ccccc2,"InChI=1/C13H18O3/c1-2-13(8-14)9-15-12(16-10-13)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3",C13H18O3,,,,,,GMXSKCYQYXMJFU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.775,244-869-6,22252-38-6,"11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)","11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate",CC1CC2C3CCC(O)(C(=O)COP(=O)(O)O)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14,CC1CC2C3CCC(O)(C(=O)COP(=O)(O)O)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14,"InChI=1/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)",C22H31O8P,,,,,,PWTIEVRZANUUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.776,244-870-1,22252-43-3,(6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)O,CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)O,"InChI=1/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)",C8H10N2O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11250,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.776,NVIAYEIXYQCDAN-FFWSUHOLSA-N,,,,,,,,,,,
100.040.784,244-879-0,22259-30-9,Formetanate,3-{[(dimethylamino)methylene]amino}phenyl methylcarbamate,O=C(Oc1cccc(c1)N=CN(C)C)NC,O=C(Oc1cccc(c1)N=CN(C)C)NC,"InChI=1/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)",C11H15N3O2,,,,,,RMFNNCGOSPBBAD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.745,247-036-5,25496-01-9,Tridecylbenzenesulphonic acid,4-tridecylbenzenesulfonic acid,CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,"InChI=1/C19H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22/h14-17H,2-13H2,1H3,(H,20,21,22)",C19H32O3S,,,,,,ANZWOARUBDXLMN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.746,247-037-0,25496-16-6,1-(butylphenyl)ethan-1-one,1-(2-butylphenyl)ethanone,CCCCc1ccccc1C(=O)C,CCCCc1ccccc1C(=O)C,"InChI=1/C12H16O/c1-3-4-7-11-8-5-6-9-12(11)10(2)13/h5-6,8-9H,3-4,7H2,1-2H3",C12H16O,,,,,,PLPLNIPMXUXDTF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.747,247-038-6,25496-72-4,"Oleic acid, monoester with glycerol",2-hydroxy-1-(hydroxymethyl)ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(CO)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO,"InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3",C21H40O4,,,,,,UPWGQKDVAURUGE-KTKRTIGZSA-N,,,,,,,,,,,
100.044.378,248-832-5,28088-75-7,Cyclohexyl(cyclohexylphenyl)benzene,"2,2'-dicyclohexylbiphenyl",C1CCC(CC1)c2ccccc2c3ccccc3C4CCCCC4,C1CCC(CC1)c2ccccc2c3ccccc3C4CCCCC4,"InChI=1/C24H30/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h7-10,15-20H,1-6,11-14H2",C24H30,,,,,,NGOVHLJGWXFORJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.387,248-841-4,28100-38-1,Diisopropylammonium 2-(p-chlorophenoxy)-2-methylpropionate,N-isopropylpropan-2-aminium 2-(4-chlorophenoxy)-2-methylpropanoate,CC(C)[NH2+]C(C)C.CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],CC(C)[NH2+]C(C)C.CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],"InChI=1/C10H11ClO3.C6H15N/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;1-5(2)7-6(3)4/h3-6H,1-2H3,(H,12,13);5-7H,1-4H3",C10H11ClO3.C6H15N,,,,,,MRWZVKCAGYCHFS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.598,245-774-2,23601-39-0,"3,6,9,12,15,18-hexaoxaicosane","3,6,9,12,15,18-hexaoxaicosane",CCOCCOCCOCCOCCOCCOCC,CCOCCOCCOCCOCCOCCOCC,"InChI=1/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3",C14H30O6,,,,,,IXFAFGFZFQHRLB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.601,245-777-9,23602-78-0,Benfluorex,2-({1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl}amino)ethyl benzoate,CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2,CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2,"InChI=1/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3",C19H20F3NO2,,,,,,CJAVTWRYCDNHSM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.612,245-789-4,23622-25-5,"N,N-diethyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine monohydrochloride","N,N-diethyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine hydrochloride",Cl.CCN(CC)CCNc1onc(n1)c2ccccc2,Cl.CCN(CC)CCNc1onc(n1)c2ccccc2,"InChI=1/C14H20N4O.ClH/c1-3-18(4-2)11-10-15-14-16-13(17-19-14)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3,(H,15,16,17);1H",C14H20N4O.ClH,,,,,,IICLQAJULMEIPY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.615,245-793-6,23627-24-9,"N-(2,4,5-trichlorophenyl)acetamide","N-(2,4,5-trichlorophenyl)acetamide",CC(=O)Nc1cc(Cl)c(Cl)cc1Cl,CC(=O)Nc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H6Cl3NO/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H,12,13)",C8H6Cl3NO,,,,,,VUSLTUGEJURGLB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.623,245-801-8,23642-66-2,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl benzoate hydrochloride,2-({1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl}amino)ethyl benzoate hydrochloride,Cl.CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2,Cl.CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2,"InChI=1/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H",C19H20F3NO2.ClH,,,,,,NLOALSPYZIIXEO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.624,245-802-3,23646-68-6,p-nitrophenyl 2-acetamido-2-deoxy-a-D-galactopyranoside,4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-],CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)",C14H18N2O8,,,,,,OMRLTNCLYHKQCK-RGDJUOJXSA-N,,,,,,,,,,,
100.045.335,249-885-7,29830-11-3,Nonenoic acid,non-2-enoic acid,OC(=O)C=CCCCCCC,OC(=O)C=CCCCCCC,"InChI=1/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)",C9H16O2,,,,,,ADLXTJMPCFOTOO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.336,249-886-2,29830-84-0,Disodium hexanitroplatinate,-,[Na+].[Na+].[O-][N+](=O)[Pt-2]([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],[Na+].[Na+].[O-][N+](=O)[Pt-2]([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],"InChI=1/6NO2.2Na.Pt/c6*2-1-3;;;/q;;;;;;2*+1;-2/rN6O12Pt.2Na/c7-1(8)19(2(9)10,3(11)12,4(13)14,5(15)16)6(17)18;;/q-2;2*+1",N6O12Pt.2Na,,,,,,IBLSDSOGEQQQSV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.350,249-901-2,29867-71-8,"Adipic acid, compound with 2,2'-iminodiethanol","hexanedioic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)CCCCC(=O)O,OCCNCCO.OC(=O)CCCCC(=O)O,"InChI=1/C6H10O4.C4H11NO2/c7-5(8)3-1-2-4-6(9)10;6-3-1-5-2-4-7/h1-4H2,(H,7,8)(H,9,10);5-7H,1-4H2",C6H10O4.xC4H11NO2,,,,,,MEFJMBSAHDEPGF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.353,249-904-9,29868-02-8,"Malic acid, compound with 2,2',2''-nitrilotriethanol","2-hydroxysuccinic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(CC(=O)O)C(=O)O,OCCN(CCO)CCO.OC(CC(=O)O)C(=O)O,"InChI=1/C6H15NO3.C4H6O5/c8-4-1-7(2-5-9)3-6-10;5-2(4(8)9)1-3(6)7/h8-10H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9)",C6H15NO3.xC4H6O5,,,,,,LMBHNEOQVHRDGK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.355,249-907-5,29868-97-1,"5,11-dihydro-11-[(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one dihydrochloride","11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one dihydrochloride",Cl.Cl.CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1,Cl.Cl.CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1,"InChI=1/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H",C19H21N5O2.2ClH,,,,,,FFNMBRCFFADNAO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.356,249-908-0,29869-78-1,"N,1-dimethyl-3,3-diphenylpropylamine","N-methyl-4,4-diphenylbutan-2-amine",CNC(C)CC(c1ccccc1)c2ccccc2,CNC(C)CC(c1ccccc1)c2ccccc2,"InChI=1/C17H21N/c1-14(18-2)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3",C17H21N,,,,,,BYWYKUFIAOQZIV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.360,249-912-2,29870-25-5,Bis(2-hydroxyethyl)ammonium hydrogen oxalate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium hydrogen oxalate,OCC[NH2+]CCO.[O-]C(=O)C(=O)[O-],OCC[NH2+]CCO.[O-]C(=O)C(=O)[O-],"InChI=1/C4H11NO2.C2H2O4/c6-3-1-5-2-4-7;3-1(4)2(5)6/h5-7H,1-4H2;(H,3,4)(H,5,6)/p-1",C4H11NO2.xC2H2O4,,,,,,JVOLNKQUOGJWAY-UHFFFAOYSA-M,,,,,,,,,,,
100.045.361,249-913-8,29870-32-4,Bis(2-hydroxyethyl)ammonium dihydrogen phosphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium dihydrogen phosphate,OCC[NH2+]CCO.[O-]P(=O)([O-])[O-],OCC[NH2+]CCO.[O-]P(=O)([O-])[O-],"InChI=1/C4H11NO2.H3O4P/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4)/p-2",C4H11NO2.xH3O4P,,,,,,YXJUEYDETJCBKA-UHFFFAOYSA-L,,,,,,,,,,,
100.037.634,241-414-3,17375-37-0,"Carbonic acid, manganese salt",manganese(2+) carbonate,[Mn].OC(O)=O,[Mn].OC(O)=O,"InChI=1/CH2O3.Mn/c2-1(3)4;/h(H2,2,3,4);/q;+2",CH2O3.xMn,,,,,,SDPBZSAJSUJVAT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.638,241-419-0,17392-22-2,"5,8,10,13-tetraoxaheptadecane","5,8,10,13-tetraoxaheptadecane",CCCCOCCOCOCCOCCCC,CCCCOCCOCOCCOCCCC,"InChI=1/C13H28O4/c1-3-5-7-14-9-11-16-13-17-12-10-15-8-6-4-2/h3-13H2,1-2H3",C13H28O4,,,,,,MHKHVNAGXJGYIT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.640,241-421-1,17394-77-3,"Diethyl [[3,4-(methylenedioxy)anilino]methylene]malonate","diethyl [(1,3-benzodioxol-5-ylamino)methylene]malonate",CCOC(=O)C(=CNc1ccc2OCOc2c1)C(=O)OCC,CCOC(=O)C(=CNc1ccc2OCOc2c1)C(=O)OCC,"InChI=1/C15H17NO6/c1-3-19-14(17)11(15(18)20-4-2)8-16-10-5-6-12-13(7-10)22-9-21-12/h5-8,16H,3-4,9H2,1-2H3",C15H17NO6,,,,,,XQBHPGINZRUJMP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.643,241-424-8,17397-89-6,"[2R-[2a,3a(4E,7E)]]-3-(1-oxonona-4,7-dienyl)oxirane-2-carboxamide","3-nona-4,7-dienoyloxirane-2-carboxamide",CC=CCC=CCCC(=O)C1OC1C(=O)N,CC=CCC=CCCC(=O)C1OC1C(=O)N,"InChI=1/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)",C12H17NO3,,,,,,GVEZIHKRYBHEFX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.644,241-425-3,17403-09-7,3-(4-piperidyl)-1H-indole,3-piperidin-4-yl-1H-indole,C1CC(CCN1)c2c[nH]c3ccccc23,C1CC(CCN1)c2c[nH]c3ccccc23,"InChI=1/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2",C13H16N2,,,,,,KAIRZPVWWIMPFT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.649,241-431-6,17407-08-8,"(diphenylsilylene)bis(oxy-2,1-ethanediyl) bismethacrylate","10-methyl-9-oxo-4,4-diphenyl-3,5,8-trioxa-4-silaundec-10-en-1-yl methacrylate (non-preferred name)",CC(=C)C(=O)OCCO[Si](OCCOC(=O)C(=C)C)(c1ccccc1)c2ccccc2,CC(=C)C(=O)OCCO[Si](OCCOC(=O)C(=C)C)(c1ccccc1)c2ccccc2,"InChI=1/C24H28O6Si/c1-19(2)23(25)27-15-17-29-31(21-11-7-5-8-12-21,22-13-9-6-10-14-22)30-18-16-28-24(26)20(3)4/h5-14H,1,3,15-18H2,2,4H3",C24H28O6Si,,,,,,WANDANCIWZILMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.650,241-432-1,17407-09-9,2-[(trimethylsilyl)oxy]ethyl methacrylate,2-[(trimethylsilyl)oxy]ethyl methacrylate,CC(=C)C(=O)OCCO[Si](C)(C)C,CC(=C)C(=O)OCCO[Si](C)(C)C,"InChI=1/C9H18O3Si/c1-8(2)9(10)11-6-7-12-13(3,4)5/h1,6-7H2,2-5H3",C9H18O3Si,,,,,,WUGOQZFPNUYUOO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.652,241-434-2,17408-14-9,2'-(trifluoromethyl)acetophenone,1-[2-(trifluoromethyl)phenyl]ethanone,CC(=O)c1ccccc1C(F)(F)F,CC(=O)c1ccccc1C(F)(F)F,"InChI=1/C9H7F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-5H,1H3",C9H7F3O,,,,,,FYDUUODXZQITBF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.653,241-435-8,17408-16-1,3'-nitropropiophenone,1-(3-nitrophenyl)propan-1-one,CCC(=O)c1cccc(c1)[N+](=O)[O-],CCC(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C9H9NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3",C9H9NO3,,,,,,VSPOTMOYDHRALZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.875,237-279-5,13718-58-6,Barium periodate,barium diperiodate,[Ba+2].[O-]I(=O)(=O)=O.[O-]I(=O)(=O)=O,[Ba+2].[O-]I(=O)(=O)=O.[O-]I(=O)(=O)=O,"InChI=1/Ba.2HIO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2",Ba.2HIO4,,,,,,SSTZWBSEDRHYPU-UHFFFAOYSA-L,,,,,,,,,,,
100.033.876,237-280-0,13718-59-7,Barium selenite,barium selenite,[Ba+2].[O-][Se](=O)[O-],[Ba+2].[O-][Se](=O)[O-],"InChI=1/Ba.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",Ba.H2O3Se,,,,,,VQKDPABSEYUERS-UHFFFAOYSA-L,,,,,,,,,,,
100.033.887,237-292-6,13725-45-6,Potassium 3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]propanesulphonate,potassium 3-[(2-oxo-2H-chromen-7-yl)oxy]propane-1-sulfonate,[K+].[O-]S(=O)(=O)CCCOc1ccc2C=CC(=O)Oc2c1,[K+].[O-]S(=O)(=O)CCCOc1ccc2C=CC(=O)Oc2c1,"InChI=1/C12H12O6S.K/c13-12-5-3-9-2-4-10(8-11(9)18-12)17-6-1-7-19(14,15)16;/h2-5,8H,1,6-7H2,(H,14,15,16);/q;+1/p-1",C12H12O6S.K,,,,,,QLNVCQPHVBAEAG-UHFFFAOYSA-M,,,,,,,,,,,
100.033.894,237-299-4,13730-98-8,Sodium (4-chlorophenoxy)acetate,sodium (4-chlorophenoxy)acetate,[Na+].[O-]C(=O)COc1ccc(Cl)cc1,[Na+].[O-]C(=O)COc1ccc(Cl)cc1,"InChI=1/C8H7ClO3.Na/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1",C8H7ClO3.Na,,,,,,CETFXLWWGIUWAI-UHFFFAOYSA-M,,,,,,,,,,,
100.033.900,237-306-0,13734-36-6,"N-[(1,1-dimethylethoxy)carbonyl]sarcosine",N-(tert-butoxycarbonyl)-N-methylglycine,CN(CC(=O)O)C(=O)OC(C)(C)C,CN(CC(=O)O)C(=O)OC(C)(C)C,"InChI=1/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)",C8H15NO4,,,,,,YRXIMPFOTQVOHG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.903,237-309-7,13736-22-6,Sodium p-formylbenzenesulphonate,sodium 4-formylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(C=O)cc1,[Na+].[O-]S(=O)(=O)c1ccc(C=O)cc1,"InChI=1/C7H6O4S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1",C7H6O4S.Na,,,,,,FZPPRCKGVCCJSG-UHFFFAOYSA-M,,,,,,,,,,,
100.041.952,246-163-3,24323-23-7,2-methyldecanoic acid,2-methyldecanoic acid,CCCCCCCCC(C)C(=O)O,CCCCCCCCC(C)C(=O)O,"InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)",C11H22O2,,,,,,SAOSCTYRONNFTC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.956,246-168-0,24325-21-1,L-lysine hydrobromide,L-lysine hydrobromide,Br.NCCCC[C@H](N)C(=O)O,Br.NCCCC[C@H](N)C(=O)O,"InChI=1/C6H14N2O2.BrH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H",C6H14N2O2.xBrH,,,,,,MEXAGTSTSPYCEP-JEDNCBNOSA-N,,,,,,,,,,,
100.041.961,246-173-8,24331-27-9,Calcium dimethyl dicarbonate,-,[Ca+2].COC(=O)OC(=O)OC,[Ca+2].COC(=O)OC(=O)OC,InChI=1/C4H6O5.Ca/c1-7-3(5)9-4(6)8-2;/h1-2H3;/q;+2,C2H4O3.1/2Ca,,,,,,AVXMONSBLJKECJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.968,246-181-1,24345-02-6,Zinc bis[p-toluenesulphinate],zinc bis(4-methylbenzenesulfinate),[Zn+2].Cc1ccc(cc1)S(=O)[O-].Cc2ccc(cc2)S(=O)[O-],[Zn+2].Cc1ccc(cc1)S(=O)[O-].Cc2ccc(cc2)S(=O)[O-],"InChI=1/2C7H8O2S.Zn/c2*1-6-2-4-7(5-3-6)10(8)9;/h2*2-5H,1H3,(H,8,9);/q;;+2/p-2",C7H8O2S.1/2Zn,,,,,,KHYUFILZGMOXBR-UHFFFAOYSA-L,,,,,,,,,,,
100.041.971,246-184-8,24346-00-7,(3S)-5'-[(3-amino-3-carboxypropyl)methylsulphonio]-5'-deoxyadenosine chloride,"(3-amino-3-carboxypropyl){[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylsulfonium chloride (non-preferred name)",[Cl-].C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23,[Cl-].C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23,"InChI=1/C15H22N6O5S.ClH/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H",C15H23N6O5S.Cl,,,,,,DYFPQIYEZQULMZ-YZWDQNTRSA-N,,,,,,,,,,,
100.041.973,246-186-9,24347-58-8,"(R,R)-(-)-butane-2,3-diol","butane-2,3-diol",C[C@@H](O)[C@@H](C)O,C[C@@H](O)[C@@H](C)O,"InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3",C4H10O2,,,,,,OWBTYPJTUOEWEK-QWWZWVQMSA-N,,,,,,,,,,,
100.041.978,246-192-1,24353-61-5,Isopropyl 2-[(aminomethoxyphosphinothioyl)oxy]benzoate,isopropyl 2-{[amino(methoxy)phosphorothioyl]oxy}benzoate,COP(=S)(N)Oc1ccccc1C(=O)OC(C)C,COP(=S)(N)Oc1ccccc1C(=O)OC(C)C,"InChI=1/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)",C11H16NO4PS,,,,,,YFVOXLJXJBQDEF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.987,246-202-4,24358-76-7,Nivacortol,"1-ethynyl-7-(4-fluorophenyl)-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol",C[C@]12Cc3cnn(c3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C)c6ccc(F)cc6,C[C@]12Cc3cnn(c3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C)c6ccc(F)cc6,"InChI=1/C28H31FN2O/c1-4-28(32)14-12-24-22-10-5-19-15-25-18(16-26(19,2)23(22)11-13-27(24,28)3)17-30-31(25)21-8-6-20(29)7-9-21/h1,6-9,15,17,22-24,32H,5,10-14,16H2,2-3H3",C28H31FN2O,,,,,,ZQLOAGFNRKBEAJ-BDPSOKNUSA-N,,,,,,,,,,,
100.041.988,246-204-5,24359-22-6,"4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidinium hydrogen maleate","4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidinium hydrogen but-2-enedioate",C[NH+]1CCC(=C2c3ccccc3CCc4sccc24)CC1.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+]1CCC(=C2c3ccccc3CCc4sccc24)CC1.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C19H21NS.C4H4O4/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-3(6)1-2-4(7)8/h2-5,10,13H,6-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/p-1",C19H21NS.C4H4O4,,,,,,GGYSHFFKUHGBIK-BTJKTKAUSA-M,,,,,,,,,,,
100.041.990,246-206-6,24360-05-2,Methenamine hydrochloride,methanimine hydrochloride,Cl.C=N,Cl.C=N,"InChI=1/CH3N.ClH/c1-2;/h2H,1H2;1H",C6H12N4.ClH,,,,,,QGXVVZXXVJDOEM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.992,246-208-7,24362-98-9,"4,4'-hexylidenebisphenol","4,4'-hexane-1,1-diyldiphenol",CCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,CCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C18H22O2/c1-2-3-4-5-18(14-6-10-16(19)11-7-14)15-8-12-17(20)13-9-15/h6-13,18-20H,2-5H2,1H3",C18H22O2,,,,,,WKGVDZYQWLBSQC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.581,245-755-9,23582-04-9,"1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane","1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane",C(CP(CCP(c1ccccc1)c2ccccc2)c3ccccc3)P(CCP(c4ccccc4)c5ccccc5)c6ccccc6,C(CP(CCP(c1ccccc1)c2ccccc2)c3ccccc3)P(CCP(c4ccccc4)c5ccccc5)c6ccccc6,"InChI=1/C42H42P4/c1-7-19-37(20-8-1)43(33-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)31-32-44(38-21-9-2-10-22-38)34-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2",C42H42P4,,,,,,TXFNTLLEAYZBGV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.582,245-756-4,23582-05-0,Bis[(2-diphenylarsinoethyl)phenyl]phosphine,bis{2-[2-(diphenylarsino)ethyl]phenyl}phosphine,C(Cc1ccccc1Pc2ccccc2CC[As](c3ccccc3)c4ccccc4)[As](c5ccccc5)c6ccccc6,C(Cc1ccccc1Pc2ccccc2CC[As](c3ccccc3)c4ccccc4)[As](c5ccccc5)c6ccccc6,"InChI=1/C40H37As2P/c1-5-19-35(20-6-1)41(36-21-7-2-8-22-36)31-29-33-17-13-15-27-39(33)43-40-28-16-14-18-34(40)30-32-42(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-28,43H,29-32H2",C34H33As2P,,,,,,PIIYLMAKWDEVKK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.392,248-847-7,28107-59-7,Tetrachlorohexafluorobutane,"1,1,1,2-tetrachloro-2,3,3,4,4,4-hexafluorobutane",FC(F)(F)C(F)(F)C(F)(Cl)C(Cl)(Cl)Cl,FC(F)(F)C(F)(F)C(F)(Cl)C(Cl)(Cl)Cl,"InChI=1/C4Cl4F6/c5-1(9,3(6,7)8)2(10,11)4(12,13)14",C4Cl4F6,,,,,,KHFGPBNEILANTD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.394,248-849-8,28109-00-4,Bis(isopropylphenyl) phenyl phosphate,bis(2-isopropylphenyl) phenyl phosphate,CC(C)c1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3C(C)C,CC(C)c1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3C(C)C,"InChI=1/C24H27O4P/c1-18(2)21-14-8-10-16-23(21)27-29(25,26-20-12-6-5-7-13-20)28-24-17-11-9-15-22(24)19(3)4/h5-19H,1-4H3",C24H27O4P,,,,,,RMNODSGCFHVNDC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.399,248-855-0,28128-19-0,"1,3-dihydro-2H-purine-2-thione","1,3-dihydro-2H-purine-2-thione",S=C1NC=C2N=CN=C2N1,S=C1NC=C2N=CN=C2N1,"InChI=1/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)",C5H4N4S,,,,,,HDBQZGJWHMCXIL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.401,248-857-1,28132-01-6,"Octahydro-4,7-methano-1H-indene-2,5-dimethanol","octahydro-1H-4,7-methanoindene-2,5-diyldimethanol",OCC1CC2C3CC(CO)C(C3)C2C1,OCC1CC2C3CC(CO)C(C3)C2C1,"InChI=1/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2",C12H20O2,,,,,,ZFZDWMXUMXACHS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.402,248-858-7,28132-50-5,Disodium zirconium bis(phosphate),disodium zirconium bis(phosphate),[Na+].[Na+].[Zr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Zr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2Na.2H3O4P.Zr/c;;2*1-5(2,3)4;/h;;2*(H3,1,2,3,4);/q2*+1;;;+2/p-6",H3O4P.Na.1/2Zr,,,,,,MKTAAQSDDSEVOY-UHFFFAOYSA-H,,,,,,,,,,,
100.044.405,248-861-3,28139-90-4,Disodium iminodimethanesulphonate,disodium iminodimethanesulfonate,[Na+].[Na+].[O-]S(=O)(=O)CNCS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)CNCS(=O)(=O)[O-],"InChI=1/C2H7NO6S2.2Na/c4-10(5,6)1-3-2-11(7,8)9;;/h3H,1-2H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2",C2H7NO6S2.2Na,,,,,,XPHAQQHTRIJDJJ-UHFFFAOYSA-L,,,,,,,,,,,
100.044.408,248-865-5,28141-13-1,"1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CCN1C(=CC(=C(C#N)C1=O)C)O,CCN1C(=CC(=C(C#N)C1=O)C)O,"InChI=1/C9H10N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h4,12H,3H2,1-2H3",C9H10N2O2,,,,,,ZSUMNJYQUKCOBV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.459,244-521-3,21674-38-4,"2,4,6-tris(pentadecafluoroheptyl)-1,3,5-triazine","2,4,6-tris(pentadecafluoroheptyl)-1,3,5-triazine",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C24F45N3/c25-4(26,7(31,32)10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)63)1-70-2(5(27,28)8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(64,65)66)72-3(71-1)6(29,30)9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(67,68)69",C24F45N3,,,,,,BFAUAMWYFFXWLX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.460,244-522-9,21676-01-7,(Z)-1-chlorohex-3-ene,1-chlorohex-3-ene,CC\\C=C/CCCl,CC\C=C/CCCl,"InChI=1/C6H11Cl/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3",C6H11Cl,,,,,,ODDBBUZTMLEZBW-ARJAWSKDSA-N,,,,,,,,,,,
100.040.463,244-526-0,21679-31-2,Chromium(III) 4-oxopent-2-ene-2-olate,"chromium(3+) tris(2,4-dioxopentan-1-olate)",CC(=O)CC(=O)CO[Cr](OCC(=O)CC(=O)C)OCC(=O)CC(=O)C,CC(=O)CC(=O)CO[Cr](OCC(=O)CC(=O)C)OCC(=O)CC(=O)C,"InChI=1/3C5H7O3.Cr/c3*1-4(7)2-5(8)3-6;/h3*2-3H2,1H3;/q3*-1;+3/rC15H21CrO9/c1-10(17)4-13(20)7-23-16(24-8-14(21)5-11(2)18)25-9-15(22)6-12(3)19/h4-9H2,1-3H3",C15H21CrO6,,,,,,SHQRRTUJPZFVPP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.464,244-527-6,21679-46-9,"Tris(pentane-2,4-dionato-O,O')cobalt",tris(1-acetyl-2-oxopropyl)cobalt,CC(=O)C([Co](C(C(=O)C)C(=O)C)C(C(=O)C)C(=O)C)C(=O)C,CC(=O)C([Co](C(C(=O)C)C(=O)C)C(C(=O)C)C(=O)C)C(=O)C,"InChI=1/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/rC15H21CoO6/c1-7(17)13(8(2)18)16(14(9(3)19)10(4)20)15(11(5)21)12(6)22/h13-15H,1-6H3",C15H21CoO6,,,,,,CSDAQTNLKZUCBK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.465,244-528-1,21681-47-0,"1,2,3,4,4a,5,8,8a-octahydro-2-methyl-1,4:5,8-dimethanonaphthalene","2-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene",CC1CC2CC1C3C4CC(C=C4)C23,CC1CC2CC1C3C4CC(C=C4)C23,"InChI=1/C13H18/c1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13/h2-3,7-13H,4-6H2,1H3",C13H18,,,,,,FMZITCJWMYHQFG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.466,244-529-7,21683-58-9,Ethyl 3-(2-methyl-5-pyridyl)-3-oxopropionate,ethyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate,CCOC(=O)CC(=O)c1ccc(C)nc1,CCOC(=O)CC(=O)c1ccc(C)nc1,"InChI=1/C11H13NO3/c1-3-15-11(14)6-10(13)9-5-4-8(2)12-7-9/h4-5,7H,3,6H2,1-2H3",C11H13NO3,,,,,,CSTIAWJADKPHBF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.467,244-530-2,21690-43-7,4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile,4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbonitrile,CC(=CCCC1=CCC(CC1)C#N)C,CC(=CCCC1=CCC(CC1)C#N)C,"InChI=1/C13H19N/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,13H,3,5,7-9H2,1-2H3",C13H19N,,,,,,YLVMNUKZYAGOOK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.471,244-534-4,21702-27-2,N-(o-tolyl)ethylenediamine,"N-(2-methylphenyl)ethane-1,2-diamine",Cc1ccccc1NCCN,Cc1ccccc1NCCN,"InChI=1/C9H14N2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,11H,6-7,10H2,1H3",C9H14N2,,,,,,MZBASJHBBLIDBH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.370,249-923-2,29881-72-9,"(Z)-octadec-9-enyl (all-Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9,21-trienoate","octadec-9-en-1-yl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9,21-trien-1-oate",CCCCCCCC\\C=C/CCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/2C22H38O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-4-2;/h2*9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC52H92O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-57-49(53)41-43-51(55)59-61(47-11-7-3,48-12-8-4)60-52(56)44-42-50(54)58-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h23-26,41-44H,5-22,27-40,45-48H2,1-4H3",C52H92O8Sn,,,,,,KJGMUHKHEHLLST-QTHVYSOASA-L,,,,,,,,,,,
100.045.373,249-926-9,29884-24-0,Ethyl 2-(4-acetylphenoxy)-2-methylpropionate,ethyl 2-(4-acetylphenoxy)-2-methylpropanoate,CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)C,CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)C,"InChI=1/C14H18O4/c1-5-17-13(16)14(3,4)18-12-8-6-11(7-9-12)10(2)15/h6-9H,5H2,1-4H3",C14H18O4,,,,,,IWZIHRDNGZLBRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.629,243-608-3,20225-24-5,2-ethylvaleric acid,2-ethylpentanoic acid,CCCC(CC)C(=O)O,CCCC(CC)C(=O)O,"InChI=1/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",C7H14O2,,,,,,BAZMYXGARXYAEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.634,243-614-6,20229-56-5,"2-[4-(ß-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one","2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2ccc(cc2O)C3=C(O)C(=O)c4c(O)cc(O)cc4O3)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc(cc2O)C3=C(O)C(=O)c4c(O)cc(O)cc4O3)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2",C21H20O12,,,,,,OIUBYZLTFSLSBY-HMGRVEAOSA-N,,,,,,,,,,,
100.039.639,243-619-3,20235-19-2,DL-arabinose,L-arabinose,OC[C@H](O)[C@H](O)[C@@H](O)C=O,OC[C@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-VAYJURFESA-N,,,,,,,,,,,
100.039.642,243-623-5,20236-82-2,"(5a)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl acetate hydrochloride","3-methoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan-6-yl acetate hydrochloride",Cl.COc1ccc2C[C@@H]3[C@@H]4CC=C(OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C,Cl.COc1ccc2C[C@@H]3[C@@H]4CC=C(OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C20H23NO4.ClH/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2;/h4,6-7,13-14,19H,5,8-10H2,1-3H3;1H",C20H23NO4.ClH,,,,,,OTQDEDKVELDPIY-ZKVYEUBZSA-N,,,,,,,,,,,
100.039.653,243-635-0,20241-99-0,"2,2-bis(allyloxymethyl)butyl methacrylate","2,2-bis[(allyloxy)methyl]butyl methacrylate",CCC(COCC=C)(COCC=C)COC(=O)C(=C)C,CCC(COCC=C)(COCC=C)COC(=O)C(=C)C,"InChI=1/C16H26O4/c1-6-9-18-11-16(8-3,12-19-10-7-2)13-20-15(17)14(4)5/h6-7H,1-2,4,8-13H2,3,5H3",C16H26O4,,,,,,DDZCXKJJOQTKQP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.655,243-637-1,20244-21-7,Sodium pyrocatecholate,"disodium benzene-1,2-diolate",[Na+].[Na+].[O-]c1ccccc1[O-],[Na+].[Na+].[O-]c1ccccc1[O-],"InChI=1/C6H6O2.2Na/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;;/q;2*+1/p-2",C6H6O2.xNa,,,,,,LUWLVFVKEACFEB-UHFFFAOYSA-L,,,,,,,,,,,
100.039.663,243-646-0,20259-32-9,Iron tripalmitate,iron(3+) trihexadecanoate,[Fe+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Fe+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C16H32O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3",C16H32O2.1/3Fe,,,,,,GIFIIAHOGINLJV-UHFFFAOYSA-K,,,,,,,,,,,
100.039.664,243-647-6,20259-91-0,Sodium decyl phthalate,sodium 2-[(decyloxy)carbonyl]benzoate,[Na+].CCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-],[Na+].CCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-],"InChI=1/C18H26O4.Na/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20;/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20);/q;+1/p-1",C18H26O4.Na,,,,,,QQDCMCNVEUMCME-UHFFFAOYSA-M,,,,,,,,,,,
100.039.667,243-650-2,20261-59-0,Bis(2-hydroxyethylammonium) sulphate,bis(2-hydroxyethanaminium) sulfate,[NH3+]CCO.[NH3+]CCO.[O-]S(=O)(=O)[O-],[NH3+]CCO.[NH3+]CCO.[O-]S(=O)(=O)[O-],"InChI=1/2C2H7NO.H2O4S/c2*3-1-2-4;1-5(2,3)4/h2*4H,1-3H2;(H2,1,2,3,4)",C2H7NO.1/2H2O4S,,,,,,SREBXDQNNJPDCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.999,246-216-0,24387-68-6,"Pyrazin-2(1H)-one, sodium salt",-,[Na+].O=C1NC=CN=C1,[Na+].O=C1NC=CN=C1,"InChI=1/C4H4N2O.Na/c7-4-3-5-1-2-6-4;/h1-3H,(H,6,7);/q;+1",C4H4N2O.Na,,,,,,PXEGUCRXJYLKLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.631,248-010-6,26791-97-9,Methyl 3-methoxy-5-nitrobenzo[b]thiophene-3-carboxylate,"methyl 3-methoxy-5-nitro-2,3-dihydro-1-benzothiophene-3-carboxylate",COC(=O)C1(CSc2ccc(cc12)[N+](=O)[O-])OC,COC(=O)C1(CSc2ccc(cc12)[N+](=O)[O-])OC,"InChI=1/C11H11NO5S/c1-16-10(13)11(17-2)6-18-9-4-3-7(12(14)15)5-8(9)11/h3-5H,6H2,1-2H3",C11H9NO5S,,,,,,TYGUVZHEZCIFNE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.911,237-318-6,13746-56-0,"(exo)-2-methoxy-4-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol","2-methoxy-4-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1cc(ccc1O)C2CC3CCC2(C)C3(C)C,COc1cc(ccc1O)C2CC3CCC2(C)C3(C)C,"InChI=1/C17H24O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-14(18)15(9-11)19-4/h5-6,9,12-13,18H,7-8,10H2,1-4H3",C17H24O2,,,,,,FDPFKODSGDDVCR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.541,241-312-9,17281-59-3,1-(cyanomethyl)pyridinium chloride,1-(cyanomethyl)pyridinium chloride,[Cl-].N#CC[n+]1ccccc1,[Cl-].N#CC[n+]1ccccc1,"InChI=1/C7H7N2.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,7H2;1H/q+1;/p-1",C7H7N2.Cl,,,,,,HEJOROWXIWLCMS-UHFFFAOYSA-M,,,,,,,,,,,
100.037.542,241-313-4,17281-74-2,"1-phenyloctadecane-1,3-dione","1-phenyloctadecane-1,3-dione",CCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1,CCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1,"InChI=1/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3",C24H38O2,,,,,,BKUAQOCVPRDREL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.549,241-321-8,17292-57-8,O-benzoyl-N-(1-methyl-2-oxo-2-phenylethylidene)hydroxylamine,"1-phenylpropane-1,2-dione 2-(O-benzoyloxime)",O=C(ON=C(C)C(=O)c1ccccc1)c2ccccc2,O=C(ON=C(C)C(=O)c1ccccc1)c2ccccc2,"InChI=1/C16H13NO3/c1-12(15(18)13-8-4-2-5-9-13)17-20-16(19)14-10-6-3-7-11-14/h2-11H,1H3",C16H13NO3,,,,,,ZNZDJSGUWLGTLA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.551,241-323-9,17293-03-7,"1,3,5-trichloro-2-(chloromethyl)benzene","1,3,5-trichloro-2-(chloromethyl)benzene",ClCc1c(Cl)cc(Cl)cc1Cl,ClCc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C7H4Cl4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2",C7H4Cl4,,,,,,NJQRKFOZZUIMGW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.554,241-327-0,17301-53-0,Docosyltrimethylammonium chloride,"N,N,N-trimethyldocosan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C25H54N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;/h5-25H2,1-4H3;1H/q+1;/p-1",C25H54N.Cl,,,,,,YSJGOMATDFSEED-UHFFFAOYSA-M,,,,,,,,,,,
100.037.558,241-331-2,17302-82-8,"Ethyl 3,5-dichloro-4-hydroxybenzoate","ethyl 3,5-dichloro-4-hydroxybenzoate",CCOC(=O)c1cc(Cl)c(O)c(Cl)c1,CCOC(=O)c1cc(Cl)c(O)c(Cl)c1,"InChI=1/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3",C9H8Cl2O3,,,,,,WMKNGSJJEMFQOT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.575,241-350-6,17329-61-2,Bis(2-hydroxyethyl)[2-(stearoyloxy)ethyl]ammonium acetate,2-hydroxy-N-(2-hydroxyethyl)-N-[2-(stearoyloxy)ethyl]ethanaminium acetate,CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCO.CC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCO.CC(=O)[O-],"InChI=1/C24H49NO4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27;1-2(3)4/h26-27H,2-23H2,1H3;1H3,(H,3,4)",C24H49NO4.C2H4O2,,,,,,SKADIAAODVDROI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.576,241-351-1,17329-79-2,2-[ethyl[(nonafluorobutyl)sulphonyl]amino]ethyl acrylate,2-{ethyl[(nonafluorobutyl)sulfonyl]amino}ethyl acrylate,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H12F9NO4S/c1-3-7(22)25-6-5-21(4-2)26(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h3H,1,4-6H2,2H3",C11H12F9NO4S,,,,,,DULAHVOOPMNHFB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.579,241-354-8,17332-39-7,"1-(3,4-diethoxybenzyl)-6,7-diethoxyisoquinolinium sulphamate","1-(3,4-diethoxybenzyl)-6,7-diethoxyisoquinolinium sulfamate",CCOc1ccc(Cc2[nH+]ccc3cc(OCC)c(OCC)cc23)cc1OCC.NS(=O)(=O)[O-],CCOc1ccc(Cc2[nH+]ccc3cc(OCC)c(OCC)cc23)cc1OCC.NS(=O)(=O)[O-],"InChI=1/C24H29NO4.H3NO3S/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;1-5(2,3)4/h9-12,14-16H,5-8,13H2,1-4H3;(H3,1,2,3,4)",C24H29NO4.H3NO3S,,,,,,ZKTOHCHQLAMMQD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.580,241-355-3,17333-83-4,2-chlorobenzenediazonium,2-chlorobenzenediazonium,Clc1ccccc1[N+]#N,Clc1ccccc1[N+]#N,InChI=1/C6H4ClN2/c7-5-3-1-2-4-6(5)9-8/h1-4H/q+1,C6H4ClN2,,,,,,HGOUHLGJFUPVGS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.583,241-359-5,17334-55-3,"[1aR-(1aa,7a,7aa,7ba)]-1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-1H-cyclopropa[a]naphthalene",aristol-1(10)-ene,CC1CCC=C2CCC3C(C3(C)C)C12C,CC1CCC=C2CCC3C(C3(C)C)C12C,"InChI=1/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3",C15H24,,,,,,MBIPADCEHSKJDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.260,237-701-8,13931-75-4,Phenmetrazine teoclate,3-methyl-2-phenylmorpholine,CC1NCCOC1c2ccccc2,CC1NCCOC1c2ccccc2,"InChI=1/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",C11H15NO.C7H7ClN4O2,,,,,,OOBHFESNSZDWIU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.267,237-709-1,13934-61-7,"3ß,17a-dihydroxypregn-5-ene-21-carboxylic acid <U+03B3>-lactone","3-hydroxy-10,13-dimethyl-1,2,3,3',4,4',7,8,9,10,11,12,13,14,15,16-hexadecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one",CC12CCC(O)CC1=CCC3C2CCC4(C)C3CCC45CCC(=O)O5,CC12CCC(O)CC1=CCC3C2CCC4(C)C3CCC45CCC(=O)O5,"InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3",C22H32O3,,,,,,XBSQQVJXPODPRW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.585,245-760-6,23583-48-4,"8-bromoadenosine cyclic 3',5'-(hydrogen phosphate)","6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide",Nc1ncnc2c1nc(Br)n2C3OC4COP(=O)(O)OC4C3O,Nc1ncnc2c1nc(Br)n2C3OC4COP(=O)(O)OC4C3O,"InChI=1/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)",C10H11BrN5O6P,,,,,,DVKQVRZMKBDMDH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.587,245-762-7,23588-87-6,Barium cinnamate,barium bis(3-phenylacrylate),[Ba+2].[O-]C(=O)\\C=C\\c1ccccc1.[O-]C(=O)\\C=C\\c2ccccc2,[Ba+2].[O-]C(=O)\C=C\c1ccccc1.[O-]C(=O)\C=C\c2ccccc2,"InChI=1/2C9H8O2.Ba/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/q;;+2/p-2",C9H8O2.1/2Ba,,,,,,KCBWDPZQPRKSRE-RWUXNGIBSA-L,,,,,,,,,,,
100.041.591,245-766-9,23594-83-4,Lithium hydroperoxide,-,[Li+].OO,[Li+].OO,InChI=1/Li.H2O2/c;1-2/h;1-2H/q+1;,HLiO2,,,,,,AHCNXVCAVUYIOU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.594,245-770-0,23598-72-3,3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylic acid,3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylic acid,Cc1onc(c2ccccc2Cl)c1C(=O)O,Cc1onc(c2ccccc2Cl)c1C(=O)O,"InChI=1/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)",C11H8ClNO3,,,,,,UVEPOHNXGXVOJE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.595,245-771-6,23600-76-2,o-bromophenyl propionate,2-bromophenyl propionate,CCC(=O)Oc1ccccc1Br,CCC(=O)Oc1ccccc1Br,"InChI=1/C9H9BrO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3",C9H9BrO2,,,,,,CQOJLROYGSGCQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.607,245-784-7,23609-65-6,"4-amino-6-(2-amino-1,6-dimethyl-4-pyrimidinioamino)-1,2-dimethylquinolinium dichloride","4-amino-6-[(2-imino-1,6-dimethyl-1,2-dihydropyrimidin-4-yl)amino]-1,2-dimethylquinolinium",CN1C(=CC(=NC1=N)Nc2ccc3c(c2)c(N)cc(C)[n+]3C)C,CN1C(=CC(=NC1=N)Nc2ccc3c(c2)c(N)cc(C)[n+]3C)C,"InChI=1/C17H20N6/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16/h5-9,18H,1-4H3,(H2,19,20,21)/p+1",C17H21N6.ClH.Cl,,,,,,KMJWBVJQFGRCEB-UHFFFAOYSA-O,,,,,,,,,,,
100.041.609,245-786-8,23616-14-0,"4,7-dichloro-1,2,3-benzothiadiazole","4,7-dichloro-1,2,3-benzothiadiazole",Clc1ccc(Cl)c2snnc12,Clc1ccc(Cl)c2snnc12,InChI=1/C6H2Cl2N2S/c7-3-1-2-4(8)6-5(3)9-10-11-6/h1-2H,C6H2Cl2N2S,,,,,,DIVMDGZJKZFXPO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.610,245-787-3,23616-79-7,Benzyltributylammonium chloride,"N-benzyl-N,N-dibutylbutan-1-aminium chloride",[Cl-].CCCC[N+](CCCC)(CCCC)Cc1ccccc1,[Cl-].CCCC[N+](CCCC)(CCCC)Cc1ccccc1,"InChI=1/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1",C19H34N.Cl,,,,,,VJGNLOIQCWLBJR-UHFFFAOYSA-M,,,,,,,,,,,
100.041.617,245-795-7,23631-95-0,"N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-alanine, compound with dicyclohexylamine (1:1)",N-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]alanine - N-cyclohexylcyclohexanamine (1:1),C[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O.C3CCC(CC3)NC4CCCCC4,C[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O.C3CCC(CC3)NC4CCCCC4,"InChI=1/C19H21NO4.C12H23N/c1-13(17(21)22)20-18(23)24-19(2,3)16-11-9-15(10-12-16)14-7-5-4-6-8-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-13H,1-3H3,(H,20,23)(H,21,22);11-13H,1-10H2",C19H21NO4.C12H23N,,,,,,DJMNUGJBYYILNA-ZOWNYOTGSA-N,,,,,,,,,,,
100.041.621,245-799-9,23641-05-6,"6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(=O)C,"InChI=1/C25H30F2O7/c1-13(28)33-12-21(32)24(34-14(2)29)8-6-16-17-10-19(26)18-9-15(30)5-7-22(18,3)25(17,27)20(31)11-23(16,24)4/h5,7,9,16-17,19-20,31H,6,8,10-12H2,1-4H3",C25H30F2O7,,,,,,RWKMFNKALGKSFN-QWYWQECLSA-N,,,,,,,,,,,
100.045.333,249-883-6,29823-18-5,Ethyl 7-bromoheptanoate,ethyl 7-bromoheptanoate,CCOC(=O)CCCCCCBr,CCOC(=O)CCCCCCBr,"InChI=1/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3",C9H17BrO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16536,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.333,OOBFNDGMAGSNKA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.340,249-890-4,29850-38-2,"3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris(benzenesulphonic) acid","3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzenesulfonic acid",OS(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)O)nc(Nc4cccc(c4)S(=O)(=O)O)n2)c1,OS(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)O)nc(Nc4cccc(c4)S(=O)(=O)O)n2)c1,"InChI=1/C21H18N6O9S3/c28-37(29,30)16-7-1-4-13(10-16)22-19-25-20(23-14-5-2-8-17(11-14)38(31,32)33)27-21(26-19)24-15-6-3-9-18(12-15)39(34,35)36/h1-12H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H3,22,23,24,25,26,27)",C21H18N6O9S3,,,,,,DWRLZGBQVFEEKS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.345,249-896-7,29864-18-4,"2-(2-ethoxyphenyl)-1-[2-(2-ethoxyphenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole","2,2'-bis(2-ethoxyphenyl)-4,4',5,5'-tetraphenyl-2'H-1,2'-biimidazole",CCOc1ccccc1c2nc(c3ccccc3)c(c4ccccc4)n2C5(N=C(C(=N5)c6ccccc6)c7ccccc7)c8ccccc8OCC,CCOc1ccccc1c2nc(c3ccccc3)c(c4ccccc4)n2C5(N=C(C(=N5)c6ccccc6)c7ccccc7)c8ccccc8OCC,"InChI=1/C46H38N4O2/c1-3-51-39-31-19-17-29-37(39)45-47-43(35-25-13-7-14-26-35)44(36-27-15-8-16-28-36)50(45)46(38-30-18-20-32-40(38)52-4-2)48-41(33-21-9-5-10-22-33)42(49-46)34-23-11-6-12-24-34/h5-32H,3-4H2,1-2H3",C46H38N4O2,,,,,,YROIEOIEMOCPOS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.475,244-539-1,21716-65-4,5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-1H-indole-2-carboxamide hydrochloride,5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide hydrochloride,Cl.CCN1CCCC1CNC(=O)c2[nH]c3ccc(Cl)cc3c2OC,Cl.CCN1CCCC1CNC(=O)c2[nH]c3ccc(Cl)cc3c2OC,"InChI=1/C17H22ClN3O2.ClH/c1-3-21-8-4-5-12(21)10-19-17(22)15-16(23-2)13-9-11(18)6-7-14(13)20-15;/h6-7,9,12,20H,3-5,8,10H2,1-2H3,(H,19,22);1H",C17H22ClN3O2.xClH,,,,,,MCQYZEDWEOECSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.481,244-545-4,21725-68-8,"2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropiononitrile","2-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile",CCNc1nc(NC(C)(C)C#N)nc(OC)n1,CCNc1nc(NC(C)(C)C#N)nc(OC)n1,"InChI=1/C10H16N6O/c1-5-12-7-13-8(15-9(14-7)17-4)16-10(2,3)6-11/h5H2,1-4H3,(H2,12,13,14,15,16)",C10H16N6O,,,,,,SHANRXMTBMPTMY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.482,244-547-5,21728-37-0,"Sodium dihydrogen 4,5-dihydro-4-[[4-[[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","dihydrogen sodium 4-({4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)carbamoyl]phenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[H+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c4cc(NC(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(OC)cc4,[H+].[H+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c4cc(NC(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(OC)cc4,"InChI=1/C26H23N5O14S3.Na.2H2/c1-44-21-11-10-19(46(36,37)13-12-45-48(41,42)43)14-20(21)27-24(32)15-2-4-16(5-3-15)28-29-22-23(26(34)35)30-31(25(22)33)17-6-8-18(9-7-17)47(38,39)40;;;/h2-11,14,22H,12-13H2,1H3,(H,27,32)(H,34,35)(H,38,39,40)(H,41,42,43);;2*1H/q;3*+1/p-3",C26H23N5O14S3.Na,,,,,,VINYUCUCTOZVSO-UHFFFAOYSA-M,,,,,,,,,,,
100.040.485,244-550-1,21731-56-6,4-mesyl-2-nitroaniline,4-(methylsulfonyl)-2-nitroaniline,CS(=O)(=O)c1ccc(N)c(c1)[N+](=O)[O-],CS(=O)(=O)c1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C7H8N2O4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3",C7H8N2O4S,,,,,,NDZFWKZHVAUUTN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.494,244-560-6,21742-00-7,1-(chloromethyl)-2-(trifluoromethyl)benzene,1-(chloromethyl)-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1CCl,FC(F)(F)c1ccccc1CCl,"InChI=1/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2",C8H6ClF3,,,,,,BBXDMCQDLOCXRA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.496,244-562-7,21743-64-6,2H-tetrazol-2-acetic acid,2H-tetrazol-2-ylacetic acid,OC(=O)Cn1ncnn1,OC(=O)Cn1ncnn1,"InChI=1/C3H4N4O2/c8-3(9)1-7-5-2-4-6-7/h2H,1H2,(H,8,9)",C3H4N4O2,,,,,,ZYHXBGMQUWRUBE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.129,246-358-3,24614-51-5,Disodium 4-octadecyl 2-sulphonatosuccinate,disodium 4-(octadecyloxy)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2",C22H42O7S.2Na,,,,,,GIBLJHXLTNHSEO-UHFFFAOYSA-L,,,,,,,,,,,
100.044.087,248-512-5,27530-80-9,DL-threonine dihydrogen phosphate,2-amino-3-hydroxybutanoyl dihydrogen phosphate,NC(C(=O)OP(O)(O)=O)C(C)O,NC(C(=O)OP(O)(O)=O)C(C)O,"InChI=1/C4H10NO6P/c1-2(6)3(5)4(7)11-12(8,9)10/h2-3,6H,5H2,1H3,(H2,8,9,10)",C4H10NO6P,,,,,,UQZANBVFJHEGCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.090,248-515-1,27538-35-8,Ethyl 3-(1H-imidazol-4-yl)acrylate,ethyl 3-(1H-imidazol-4-yl)acrylate,CCOC(=O)\\C=C\\c1c[nH]cn1,CCOC(=O)\C=C\c1c[nH]cn1,"InChI=1/C8H10N2O2/c1-2-12-8(11)4-3-7-5-9-6-10-7/h3-6H,2H2,1H3,(H,9,10)",C8H10N2O2,,,,,,HPMLGOFBKNGJAM-ONEGZZNKSA-N,,,,,,,,,,,
100.044.094,248-519-3,27550-64-7,"N-[3-[[(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]acetamide","N-(3-{[1-(2,5-dioxopyrrolidin-1-yl)ethyl](ethyl)amino}phenyl)acetamide",CCN(C(C)N1C(=O)CCC1=O)c2cccc(NC(=O)C)c2,CCN(C(C)N1C(=O)CCC1=O)c2cccc(NC(=O)C)c2,"InChI=1/C16H21N3O3/c1-4-18(12(3)19-15(21)8-9-16(19)22)14-7-5-6-13(10-14)17-11(2)20/h5-7,10,12H,4,8-9H2,1-3H3,(H,17,20)",C16H21N3O3,,,,,,HABYXPZDYUOXMD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.097,248-523-5,27554-26-3,Diisooctyl phthalate,bis(6-methylheptyl) phthalate,CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,"InChI=1/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3",C24H38O4,,,,,,IJFPVINAQGWBRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.633,248-012-7,26807-65-8,Indapamide,"4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide",CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N,CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N,"InChI=1/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)",C16H16ClN3O3S,,,,,,NDDAHWYSQHTHNT-UHFFFAOYSA-N,Positive/Negative,AU111101|AU111102|AU111103|AU111104|AU111105;EQ368601|EQ368602|EQ368603|EQ368604|EQ368605|EQ368606|EQ368607|EQ368608|EQ368609,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,132.0803:366.0668:368.0651|133.0803:117.0533:234.9879|117.0568:133.0846:118.0639|132.0804:117.0565:118.0625|132.0803:117.0564:118.0632;132.0807:366.0675:234.9939|132.0808:117.0573:91.0542|132.0808:91.0542:117.0573|91.0542:132.0808:117.0573|91.0542:117.0573:132.0808|91.0542:117.0573:65.0386|65.0386:91.0542:117.0573|65.0386:89.0386:91.0542|89.0386:65.0386:63.023,Athens_Univ;Eawag,EQ368651|EQ368652|EQ368653|EQ368654|EQ368655|EQ368656|EQ368657|EQ368658|EQ368659,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,364.0526:188.9645:232.9792|364.0528:188.9657:132.0329|188.9657:132.0329:214.9689|188.9658:77.9655:78.9733|77.9655:78.9734:188.9657|77.9655:78.9733:61.9706|77.9655:78.9733:63.9625|63.9624:77.9655:61.9706|63.9624:61.9706:77.9655,Eawag
100.043.635,248-014-8,26818-08-6,1-bromooctan-2-one,1-bromooctan-2-one,CCCCCCC(=O)CBr,CCCCCCC(=O)CBr,"InChI=1/C8H15BrO/c1-2-3-4-5-6-8(10)7-9/h2-7H2,1H3",C8H15BrO,,,,,,YVQBIERXAUCGHI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.640,248-020-0,26830-96-6,2-amino-4-methylbenzonitrile,2-amino-4-methylbenzonitrile,Cc1ccc(C#N)c(N)c1,Cc1ccc(C#N)c(N)c1,"InChI=1/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H3",C8H8N2,,,,,,LGNVAEIITHYWCG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.641,248-021-6,26831-90-3,N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-p-toluenesulphonamide,N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-4-methylbenzenesulfonamide,CC(O)CN(CCO)S(=O)(=O)c1ccc(C)cc1,CC(O)CN(CCO)S(=O)(=O)c1ccc(C)cc1,"InChI=1/C12H19NO4S/c1-10-3-5-12(6-4-10)18(16,17)13(7-8-14)9-11(2)15/h3-6,11,14-15H,7-9H2,1-2H3",C12H19NO4S,,,,,,WWOVSKZHPUOOJS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.648,248-028-4,26837-33-2,"Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium hydroxide",-,[OH-].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,[OH-].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C18H34N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;;/h21H,2-16H2,1H3;;1H2/q;+1;",C18H35N2O3.HO.Na,,,,,,GOJYXPWOUJYXJC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.653,248-034-7,26839-77-0,"(+)-3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole maleate","1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol but-2-enedioate (salt)",CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2.OC(=O)\\C=C/C(=O)O,CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2.OC(=O)\C=C/C(=O)O,"InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C13H24N4O3S.C4H4O4,,,,,,WLRMANUAADYWEA-BTJKTKAUSA-N,,,,,,,,,,,
100.043.659,248-041-5,26844-12-2,Indoramin,N-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}benzamide,O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c4ccccc4,O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c4ccccc4,"InChI=1/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)",C22H25N3O,,,,,,JXZZEXZZKAWDSP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.260,247-602-1,26306-02-5,[(10-bromodecyl)oxy]trimethylsilane,[(10-bromodecyl)oxy](trimethyl)silane,C[Si](C)(C)OCCCCCCCCCCBr,C[Si](C)(C)OCCCCCCCCCCBr,"InChI=1/C13H29BrOSi/c1-16(2,3)15-13-11-9-7-5-4-6-8-10-12-14/h4-13H2,1-3H3",C13H29BrOSi,,,,,,MARQGBSFGKRDJP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.269,247-612-6,26326-05-6,"3-butene-1,2,3-tricarboxylic acid","but-3-ene-1,2,3-tricarboxylic acid",OC(=O)CC(C(=O)O)C(=C)C(=O)O,OC(=O)CC(C(=O)O)C(=C)C(=O)O,"InChI=1/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h4H,1-2H2,(H,8,9)(H,10,11)(H,12,13)",C7H8O6,,,,,,WOZHZOLFFPSEAM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.283,247-627-8,26350-96-9,2-ethoxyethyl hydrogen maleate,4-(2-ethoxyethoxy)-4-oxobut-2-enoic acid,CCOCCOC(=O)\\C=C/C(=O)O,CCOCCOC(=O)\C=C/C(=O)O,"InChI=1/C8H12O5/c1-2-12-5-6-13-8(11)4-3-7(9)10/h3-4H,2,5-6H2,1H3,(H,9,10)",C8H12O5,,,,,,PAUIKJKTXNZJEV-ARJAWSKDSA-N,,,,,,,,,,,
100.043.290,247-635-1,26377-17-3,Ethyl 3-(4-pyridyl)-3-oxopropionate,ethyl 3-oxo-3-pyridin-4-ylpropanoate,CCOC(=O)CC(=O)c1ccncc1,CCOC(=O)CC(=O)c1ccncc1,"InChI=1/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3",C10H11NO3,,,,,,PCJNYGPKMQQCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.292,247-637-2,26377-33-3,"N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H25BrN6O8/c1-13(29)23-16-11-18(26(5-7-34-2)6-8-35-3)20(36-4)12-17(16)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h9-12H,5-8H2,1-4H3,(H,23,29)",C21H25BrN6O8,,,,,,YTGJTRYIRSPFPM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.008,244-025-7,20776-50-5,2-amino-4-bromobenzoic acid,2-amino-4-bromobenzoic acid,Nc1cc(Br)ccc1C(=O)O,Nc1cc(Br)ccc1C(=O)O,"InChI=1/C7H6BrNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)",C7H6BrNO2,,,,,,BNNICQAVXPXQAH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.009,244-026-2,20777-39-3,(R)-2-isopropenyl-5-methylhex-4-enyl acetate,2-isopropenyl-5-methylhex-4-en-1-yl acetate,CC(=CC[C@@H](COC(=O)C)C(=C)C)C,CC(=CC[C@@H](COC(=O)C)C(=C)C)C,"InChI=1/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3",C12H20O2,,,,,,HYNGAVZPWWXQIU-LBPRGKRZSA-N,,,,,,,,,,,
100.040.010,244-027-8,20777-43-9,"(1a,2a,5a)-5-(isopropyl)-2-methylcyclohexyl acetate",5-isopropyl-2-methylcyclohexyl acetate,CC(C)[C@H]1CC[C@@H](C)[C@H](C1)OC(=O)C,CC(C)[C@H]1CC[C@@H](C)[C@H](C1)OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,JAKFDYGDDRCJLY-USWWRNFRSA-N,,,,,,,,,,,
100.034.280,237-723-8,13945-57-8,Ethyl [(4-methyl-3-nitrophenyl)sulphonyl]carbamate,ethyl [(4-methyl-3-nitrophenyl)sulfonyl]carbamate,CCOC(=O)NS(=O)(=O)c1ccc(C)c(c1)[N+](=O)[O-],CCOC(=O)NS(=O)(=O)c1ccc(C)c(c1)[N+](=O)[O-],"InChI=1/C10H12N2O6S/c1-3-18-10(13)11-19(16,17)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)",C10H12N2O6S,,,,,,OLVPQVSSWREGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.287,237-731-1,13951-70-7,"11ß,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione","11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,"InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3",C21H28O6,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7244,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.287,SEKYBDYVXDAYPY-ILNISADRSA-N,,,,,,,,,,,
100.034.289,237-733-2,13954-62-6,"4,4'-(vinylene)bis[3-sulphobenzenediazonium] dichloride","4,4'-ethene-1,2-diylbis(3-sulfobenzenediazonium)",OS(=O)(=O)c1cc(ccc1C=Cc2ccc(cc2S(=O)(=O)O)[N+]#N)[N+]#N,OS(=O)(=O)c1cc(ccc1C=Cc2ccc(cc2S(=O)(=O)O)[N+]#N)[N+]#N,"InChI=1/C14H8N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8H/p+2",C14H10N4O6S2.2Cl,,,,,,LENCUDCCCFORSC-UHFFFAOYSA-P,,,,,,,,,,,
100.034.294,237-739-5,13959-32-5,"2,4-divinylpyridine","2,4-divinylpyridine",C=Cc1ccnc(C=C)c1,C=Cc1ccnc(C=C)c1,"InChI=1/C9H9N/c1-3-8-5-6-10-9(4-2)7-8/h3-7H,1-2H2",C9H9N,,,,,,DZPSSIZUIOHRNG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.295,237-740-0,13961-86-9,"Oleic acid, compound with 2,2'-iminodiethanol (1:1)","octadec-9-enoic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.OCCNCCO,CCCCCCCC\C=C/CCCCCCCC(=O)O.OCCNCCO,"InChI=1/C18H34O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-7H,1-4H2",C18H34O2.C4H11NO2,,,,,,KQHZEKNQJJSVDN-KVVVOXFISA-N,,,,,,,,,,,
100.034.296,237-741-6,13963-57-0,"Aluminium tris(2,4-pentanedionato-O,O')",aluminum tris(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Al](OC(=CC(=O)C)C)OC(=CC(=O)C)C,CC(=O)C=C(C)O[Al](OC(=CC(=O)C)C)OC(=CC(=O)C)C,"InChI=1/3C5H8O2.Al/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3",C15H21AlO6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12718,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.296,KILURZWTCGSYRE-UHFFFAOYSA-K,,,,,,,,,,,
100.037.664,241-447-3,17421-79-3,Sodium trihydrogen ethylenediaminetetraacetate,"sodium trihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[Na+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Na+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+1/p-4",C10H16N2O8.Na,,,,,,HLWRUJAIJJEZDL-UHFFFAOYSA-J,,,,,,,,,,,
100.037.670,241-454-1,17427-97-3,N-cyclohexyldocosanamide,N-cyclohexyldocosanamide,CCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCCCC1,CCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCCCC1,"InChI=1/C28H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(30)29-27-24-21-20-22-25-27/h27H,2-26H2,1H3,(H,29,30)",C28H55NO,,,,,,YGGHZTWWVJKFIT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.682,241-467-2,17450-30-5,"1-octadecyl-1H-pyrrole-2,5-dione","1-octadecyl-1H-pyrrole-2,5-dione",CCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O,CCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O,"InChI=1/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(23)25/h18-19H,2-17,20H2,1H3",C22H39NO2,,,,,,HOLZCMFSCBLOLX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.684,241-469-3,17453-73-5,"2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chlorophenyl)-3-oxobutyramide]","2,2'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(4-chlorophenyl)-3-oxobutanamide]",Clc4ccc(NC(=O)C(N=Nc1ccc(cc1OC)c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(Cl)cc2)c(OC)c3)C(C)=O)cc4,Clc4ccc(NC(=O)C(N=Nc1ccc(cc1OC)c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(Cl)cc2)c(OC)c3)C(C)=O)cc4,"InChI=1/C34H30Cl2N6O6/c1-19(43)31(33(45)37-25-11-7-23(35)8-12-25)41-39-27-15-5-21(17-29(27)47-3)22-6-16-28(30(18-22)48-4)40-42-32(20(2)44)34(46)38-26-13-9-24(36)10-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)",C34H30Cl2N6O6,,,,,,BOXWYFMLXRETMW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.694,241-480-3,17464-88-9,"Tetrahydro-1,3,4,6-tetrakis(methoxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,4,6-tetrakis(methoxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",COCN1C2C(N(COC)C(=O)N2COC)N(COC)C1=O,COCN1C2C(N(COC)C(=O)N2COC)N(COC)C1=O,"InChI=1/C12H22N4O6/c1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h9-10H,5-8H2,1-4H3",C12H22N4O6,,,,,,XGQJGMGAMHFMAO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.695,241-481-9,17464-91-4,"2,2'-[[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]-3-chlorophenyl]imino]bisethanol","2,2'-({4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-3-chlorophenyl}imino)diethanol",Brc2cc(cc(Cl)c2N=Nc1ccc(cc1Cl)N(CCO)CCO)[N+]([O-])=O,Brc2cc(cc(Cl)c2N=Nc1ccc(cc1Cl)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C16H15BrCl2N4O4/c17-12-7-11(23(26)27)9-14(19)16(12)21-20-15-2-1-10(8-13(15)18)22(3-5-24)4-6-25/h1-2,7-9,24-25H,3-6H2",C16H15BrCl2N4O4,,,,,,WZYPIHOBHDXNJL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.700,241-487-1,17471-82-8,"(1,4-benzodioxan-6-ylmethyl)guanidinium sulphate (2:1)","bis[amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)iminomethanaminium] sulfate",NC(=N)[NH2+]Cc1ccc2OCCOc2c1.NC(=N)[NH2+]Cc3ccc4OCCOc4c3.[O-]S(=O)(=O)[O-],NC(=N)[NH2+]Cc1ccc2OCCOc2c1.NC(=N)[NH2+]Cc3ccc4OCCOc4c3.[O-]S(=O)(=O)[O-],"InChI=1/2C10H13N3O2.H2O4S/c2*11-10(12)13-6-7-1-2-8-9(5-7)15-4-3-14-8;1-5(2,3)4/h2*1-2,5H,3-4,6H2,(H4,11,12,13);(H2,1,2,3,4)",C10H13N3O2.1/2H2O4S,,,,,,LSNRHCLNQZVRQD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.346,249-897-2,29864-31-1,"2-(2-chlorophenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole","2-(2-chlorophenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole",COc1cccc(c1)c2nc([nH]c2c3cccc(OC)c3)c4ccccc4Cl,COc1cccc(c1)c2nc([nH]c2c3cccc(OC)c3)c4ccccc4Cl,"InChI=1/C23H19ClN2O2/c1-27-17-9-5-7-15(13-17)21-22(16-8-6-10-18(14-16)28-2)26-23(25-21)19-11-3-4-12-20(19)24/h3-14H,1-2H3,(H,25,26)",C23H19ClN2O2,,,,,,RXAYEPUDXSKVHS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.347,249-898-8,29864-54-8,7-deoxy-D-altro-2-heptulose,7-deoxyhept-2-ulose,CC(O)C(O)C(O)C(O)C(=O)CO,CC(O)C(O)C(O)C(O)C(=O)CO,"InChI=1/C7H14O6/c1-3(9)5(11)7(13)6(12)4(10)2-8/h3,5-9,11-13H,2H2,1H3",C7H14O6,,,,,,NJSUAAJHYPEVBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.349,249-900-7,29866-18-0,6-benzyl-1H-purine,6-benzyl-1H-purine,C(c1ccccc1)c2[nH]cnc3ncnc23,C(c1ccccc1)c2[nH]cnc3ncnc23,"InChI=1/C12H10N4/c1-2-4-9(5-3-1)6-10-11-12(15-7-13-10)16-8-14-11/h1-5,7-8H,6H2,(H,13,14,15,16)",C12H10N4,,,,,,PVRBGBGMDLPYKG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.357,249-909-6,29869-90-7,"N,N,1-trimethyl-3,3-diphenylallylamine","N,N-dimethyl-4,4-diphenylbut-3-en-2-amine",CC(C=C(c1ccccc1)c2ccccc2)N(C)C,CC(C=C(c1ccccc1)c2ccccc2)N(C)C,"InChI=1/C18H21N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3",C18H21N,,,,,,QZWMYBWMOFESDA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.364,249-916-4,29871-13-4,"Arsenic acid, copper(2+) salt",copper(2+) hydrogen arsenate,[Cu+2].O[As](=O)([O-])[O-],[Cu+2].O[As](=O)([O-])[O-],"InChI=1/AsH3O4.Cu/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+2/p-2",AsH3O4.xCu,,,,,,CTDKRNQLXGHPOA-UHFFFAOYSA-L,,,,,,,,,,,
100.045.366,249-919-0,29873-33-4,3-(dodecylthio)propylamine,3-(dodecylsulfanyl)propan-1-amine,CCCCCCCCCCCCSCCCN,CCCCCCCCCCCCSCCCN,"InChI=1/C15H33NS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-16H2,1H3",C15H33NS,,,,,,AJJBNKUPXKYSKX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.368,249-921-1,29878-31-7,4-methyl-1H-benzotriazole,4-methyl-1H-benzotriazole,Cc1cccc2[nH]nnc12,Cc1cccc2[nH]nnc12,"InChI=1/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",C7H7N3,,,,,,CMGDVUCDZOBDNL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.372,249-925-3,29883-15-6,Amygdalin,[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2",C20H27NO11,,,,,,XUCIJNAGGSZNQT-JHSLDZJXSA-N,,,,,,,,,,,
100.045.374,249-927-4,29885-95-8,N-methylanilinium trifluoroacetate,N-methylanilinium trifluoroacetate,C[NH2+]c1ccccc1.[O-]C(=O)C(F)(F)F,C[NH2+]c1ccccc1.[O-]C(=O)C(F)(F)F,"InChI=1/C7H9N.C2HF3O2/c1-8-7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6,8H,1H3;(H,6,7)",C7H9N.C2HF3O2,,,,,,TXXJGCVOHDSYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.003,244-019-4,20770-40-5,Citronellyl 3-methylcrotonate,"3,7-dimethyloct-6-en-1-yl 3-methylbut-2-enoate",CC(CCOC(=O)C=C(C)C)CCC=C(C)C,CC(CCOC(=O)C=C(C)C)CCC=C(C)C,"InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,11,14H,6,8-10H2,1-5H3",C15H26O2,,,,,,DCEUMOZSMAUPSP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.874,249-377-5,29026-74-2,2-isopropoxyaniline,2-isopropoxyaniline,CC(C)Oc1ccccc1N,CC(C)Oc1ccccc1N,"InChI=1/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3",C9H13NO,,,,,,PZOZYLSYQJYXBI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.628,243-607-8,20221-27-6,"Methyl (9Z,12E)-octadeca-9,12-dienoate","methyl octadeca-9,12-dienoate",CCCCC\\C=C\\C\\C=C/CCCCCCCC(=O)OC,CCCCC\C=C\C\C=C/CCCCCCCC(=O)OC,"InChI=1/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3",C19H34O2,,,,,,WTTJVINHCBCLGX-LFOHPMNASA-N,,,,,,,,,,,
100.039.632,243-612-5,20227-92-3,Cyclohexylammonium carbonate,dicyclohexanaminium carbonate,[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.[O-]C(=O)[O-],[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.[O-]C(=O)[O-],"InChI=1/2C6H13N.CH2O3/c2*7-6-4-2-1-3-5-6;2-1(3)4/h2*6H,1-5,7H2;(H2,2,3,4)",C6H13N.xCH2O3,,,,,,MYDIEYHHUXTWFX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.635,243-615-1,20230-89-1,Trimethylammonium iodide,"N,N-dimethylmethanaminium iodide",[I-].C[NH+](C)C,[I-].C[NH+](C)C,InChI=1/C3H9N.HI/c1-4(2)3;/h1-3H3;1H,C3H9N.HI,,,,,,CURCMGVZNYCRNY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.637,243-617-2,20232-11-5,6-methyl-1H-indene,6-methyl-1H-indene,Cc1ccc2C=CCc2c1,Cc1ccc2C=CCc2c1,"InChI=1/C10H10/c1-8-5-6-9-3-2-4-10(9)7-8/h2-3,5-7H,4H2,1H3",C10H10,,,,,,RIGBUHPGSPCSLT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.643,243-624-0,20237-46-1,(Z)-non-3-ene,non-3-ene,CCCCC\\C=C/CC,CCCCC\C=C/CC,"InChI=1/C9H18/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3",C9H18,,,,,,YCBSHDKATAPNIA-ALCCZGGFSA-N,,,,,,,,,,,
100.039.646,243-627-7,20240-06-6,Copper(1+) oleate,copper(1+) octadec-9-enoate,[Cu+].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Cu+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H34O2.Cu,,,,,,NFRRPHPZDNJENC-KVVVOXFISA-M,,,,,,,,,,,
100.039.656,243-638-7,20244-61-5,"2,4,4,6-tetrabromocyclohexa-2,5-dienone","2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one",BrC1=CC(Br)(Br)C=C(Br)C1=O,BrC1=CC(Br)(Br)C=C(Br)C1=O,"InChI=1/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H",C6H2Br4O,,,,,,NJQJGRGGIUNVAB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.099,248-525-6,27560-30-1,Dimethyloctadecyl[2-(octadecyloxy)-2-oxoethyl]ammonium chloride,"N,N-dimethyl-N-[2-(octadecyloxy)-2-oxoethyl]octadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC,"InChI=1/C40H82NO2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(3,4)39-40(42)43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-39H2,1-4H3;1H/q+1;/p-1",C40H82NO2.Cl,,,,,,ZNPSVTJRCXWFHZ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.102,248-528-2,27564-01-8,2-mercaptoethyl stearate,2-sulfanylethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCS,CCCCCCCCCCCCCCCCCC(=O)OCCS,"InChI=1/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23/h23H,2-19H2,1H3",C20H40O2S,,,,,,FPRWILGFWFTOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.103,248-529-8,27564-02-9,"5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","5-chloro-2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1,[Cl-].CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1,"InChI=1/C23H25ClN3.ClH/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;/h6-13,16H,5,15H2,1-4H3;1H/q+1;/p-1",C23H25ClN3.Cl,,,,,,RJGCNXIGYJWDRB-UHFFFAOYSA-M,,,,,,,,,,,
100.044.105,248-531-9,27565-41-9,"(R*,R*)-(±)-1,4-dimercaptobutane-2,3-diol","1,4-disulfanylbutane-2,3-diol",OC(CS)C(O)CS,OC(CS)C(O)CS,"InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2",C4H10O2S2,,,,,,VHJLVAABSRFDPM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.107,248-534-5,27569-10-4,4-pyrrolidinyl-m-toluenediazonium tetrachlorozincate (2:1),bis(3-methyl-2-pyrrolidin-3-ylbenzenediazonium) tetrachlorozincate(2-),Cc1cccc([N+]#N)c1C2CCNC2.Cc3cccc([N+]#N)c3C4CCNC4.Cl[Zn-2](Cl)(Cl)Cl,Cc1cccc([N+]#N)c1C2CCNC2.Cc3cccc([N+]#N)c3C4CCNC4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C11H14N3.4ClH.Zn/c2*1-8-3-2-4-10(14-12)11(8)9-5-6-13-7-9;;;;;/h2*2-4,9,13H,5-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H14N3.Cl4Zn/c2*1-8-3-2-4-10(14-12)11(8)9-5-6-13-7-9;1-5(2,3)4/h2*2-4,9,13H,5-7H2,1H3;/q2*+1;-2",C11H14N3.1/2Cl4Zn,,,,,,SKBSTHRKFWHHRJ-UHFFFAOYSA-J,,,,,,,,,,,
100.044.108,248-535-0,27574-25-0,"3-dibenzo[b,e]thiepin-11(6H)-ylidene-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride","3-dibenzo[b,e]thiepin-11(6H)-ylidene-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride",Cl.CN1C2CCC1CC(=C3c4ccccc4CSc5ccccc35)C2,Cl.CN1C2CCC1CC(=C3c4ccccc4CSc5ccccc35)C2,"InChI=1/C22H23NS.ClH/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22;/h2-9,17-18H,10-14H2,1H3;1H",C22H23NS.ClH,,,,,,LVASURLUIYTDHW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.111,248-538-7,27575-47-9,Mercury fluoride,mercury difluoride,.[F-].[Hg+],.[F-].[Hg+],-,FHg,,,,,,SCTINZGZNJKWBN-UHFFFAOYSA-M,,,,,,,,,,,
100.044.112,248-539-2,27576-86-9,(1-methyl-1-phenylethyl)phenol,3-(1-methyl-1-phenylethyl)phenol,CC(C)(c1ccccc1)c2cccc(O)c2,CC(C)(c1ccccc1)c2cccc(O)c2,"InChI=1/C15H16O/c1-15(2,12-7-4-3-5-8-12)13-9-6-10-14(16)11-13/h3-11,16H,1-2H3",C15H16O,,,,,,PARGHORKDQHVPM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.115,248-542-9,27580-13-8,3-(phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide,3-[(2-methylphenyl)carbamoyl]-2-naphthyl dihydrogen phosphate,Cc1ccccc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,Cc1ccccc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,"InChI=1/C18H16NO5P/c1-12-6-2-5-9-16(12)19-18(20)15-10-13-7-3-4-8-14(13)11-17(15)24-25(21,22)23/h2-11H,1H3,(H,19,20)(H2,21,22,23)",C18H16NO5P,,,,,,NQMNDWPDYBPJNO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.119,248-547-6,27583-41-1,"p-[4-[(3-ethyl-3H-benzoxazol-2-ylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC=C3Oc2ccccc2N3CC)C4=O,OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC=C3Oc2ccccc2N3CC)C4=O,"InChI=1/C21H19N3O5S/c1-3-23-18-6-4-5-7-19(18)29-20(23)13-12-17-14(2)22-24(21(17)25)15-8-10-16(11-9-15)30(26,27)28/h4-13H,3H2,1-2H3,(H,26,27,28)",C21H19N3O5S,,,,,,ZHDYUNFDUDYQNL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.120,248-548-1,27588-43-8,4-(2-methoxyphenethyl)-a-phenylpiperazine-1-propanol dihydrochloride,3-{4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl}-1-phenylpropan-1-ol dihydrochloride,Cl.Cl.COc1ccccc1CCN2CCN(CCC(O)c3ccccc3)CC2,Cl.Cl.COc1ccccc1CCN2CCN(CCC(O)c3ccccc3)CC2,"InChI=1/C22H30N2O2.2ClH/c1-26-22-10-6-5-9-20(22)11-13-23-15-17-24(18-16-23)14-12-21(25)19-7-3-2-4-8-19;;/h2-10,21,25H,11-18H2,1H3;2*1H",C22H30N2O2.2ClH,,,,,,WJNYGRXVSVSSQX-UHFFFAOYSA-N,,,,,,,,,,,
100.045.007,249-523-8,29222-39-7,"[1,1'-biphenyl]triol","biphenyl-2,2',3-triol",Oc1cccc(c1O)c2ccccc2O,Oc1cccc(c1O)c2ccccc2O,"InChI=1/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H",C12H10O3,,,,,,USBNIYMZDQVDSO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.012,244-029-9,20777-49-5,"(1a,2ß,5a)-2-methyl-5-(1-methylvinyl)cyclohexyl acetate",5-isopropenyl-2-methylcyclohexyl acetate,C[C@H]1CC[C@@H](C[C@@H]1OC(=O)C)C(=C)C,C[C@H]1CC[C@@H](C[C@@H]1OC(=O)C)C(=C)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3",C12H20O2,,,,,,TUSIZTVSUSBSQI-DLOVCJGASA-N,,,,,,,,,,,
100.040.014,244-032-5,20779-74-2,1-dodecylpyridinium sulphate (2:1),bis(1-dodecylpyridinium) sulfate,CCCCCCCCCCCC[n+]1ccccc1.CCCCCCCCCCCC[n+]2ccccc2.[O-]S(=O)(=O)[O-],CCCCCCCCCCCC[n+]1ccccc1.CCCCCCCCCCCC[n+]2ccccc2.[O-]S(=O)(=O)[O-],"InChI=1/2C17H30N.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-5(2,3)4/h2*11,13-14,16-17H,2-10,12,15H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2",C17H30N.1/2O4S,,,,,,LFYSWCFSJAZQJJ-UHFFFAOYSA-L,,,,,,,,,,,
100.040.017,244-035-1,20780-76-1,"5-iodo-1H-indole-2,3-dione","5-iodo-1H-indole-2,3-dione",Ic1ccc2NC(=O)C(=O)c2c1,Ic1ccc2NC(=O)C(=O)c2c1,"InChI=1/C8H4INO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)",C8H4INO2,,,,,,OEUGDMOJQQLVAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.021,244-039-3,20786-75-8,"Tetrakis(2-fluoro-2,2-dinitroethyl) orthocarbonate","2,2',2'',2'''-[methanetetrayltetrakis(oxy)]tetrakis(1-fluoro-1,1-dinitroethane)",FC(COC(OCC(F)(N(=O)=O)N(=O)=O)(OCC(F)(N(=O)=O)N(=O)=O)OCC(F)(N(=O)=O)N(=O)=O)(N(=O)=O)N(=O)=O,FC(COC(OCC(F)(N(=O)=O)N(=O)=O)(OCC(F)(N(=O)=O)N(=O)=O)OCC(F)(N(=O)=O)N(=O)=O)(N(=O)=O)N(=O)=O,"InChI=1/C9H8F4N8O20/c10-5(14(22)23,15(24)25)1-38-9(39-2-6(11,16(26)27)17(28)29,40-3-7(12,18(30)31)19(32)33)41-4-8(13,20(34)35)21(36)37/h1-4H2",C9H8F4N8O20,,,,,,OXTSVLSXTUKQMY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.028,244-047-7,20802-57-7,"3-methoxypregna-3,5-diene-21,17a-carbolactone","3-methoxy-10,13-dimethyl-1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one",COC1=CC2=CCC3C(CCC4(C)C3CCC45CCC(=O)O5)C2(C)CC1,COC1=CC2=CCC3C(CCC4(C)C3CCC45CCC(=O)O5)C2(C)CC1,"InChI=1/C23H32O3/c1-21-10-6-16(25-3)14-15(21)4-5-17-18(21)7-11-22(2)19(17)8-12-23(22)13-9-20(24)26-23/h4,14,17-19H,5-13H2,1-3H3",C23H32O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18825,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.028,OKMHWOWJDRPCCT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.029,244-048-2,20804-76-6,3-hydroxy-4-(1-naphthyloxy)butyronitrile,3-hydroxy-4-(1-naphthyloxy)butanenitrile,OC(COc1cccc2ccccc12)CC#N,OC(COc1cccc2ccccc12)CC#N,"InChI=1/C14H13NO2/c15-9-8-12(16)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,16H,8,10H2",C14H13NO2,,,,,,ASZJWZSLVVSBAH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.033,244-052-4,20810-22-4,"1,1-diethoxyhept-2-ene","1,1-diethoxyhept-2-ene",CCOC(C=CCCCC)OCC,CCOC(C=CCCCC)OCC,"InChI=1/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h9-11H,4-8H2,1-3H3",C11H22O2,,,,,,KRGSSSXWOINHKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.039,244-059-2,20818-81-9,2-hydroxy-2-methylpropionaldehyde,2-hydroxy-2-methylpropanal,CC(C)(O)C=O,CC(C)(O)C=O,"InChI=1/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3",C4H8O2,,,,,,HNVAGBIANFAIIL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.040,244-060-8,20820-44-4,"2-nitro-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate",2-nitro-3-(nitrooxy)-2-[(nitrooxy)methyl]propyl nitrate (non-preferred name),[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C4H6N4O11/c9-5(10)4(1-17-6(11)12,2-18-7(13)14)3-19-8(15)16/h1-3H2",C4H6N4O11,,,,,,LQVCBLBPWSZOPA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.042,244-062-9,20821-91-4,N-(2-benzoyl-4-nitrophenyl)-2-chloroacetamide,N-(2-benzoyl-4-nitrophenyl)-2-chloroacetamide,[O-][N+](=O)c1ccc(NC(=O)CCl)c(c1)C(=O)c2ccccc2,[O-][N+](=O)c1ccc(NC(=O)CCl)c(c1)C(=O)c2ccccc2,"InChI=1/C15H11ClN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)",C15H11ClN2O4,,,,,,ZHJLHAOWFYEIOC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.046,244-067-6,20828-80-2,"Calcium 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (1:2)","calcium bis{3-acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoate}",[CaH2].CC(=O)CNc1c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c1I.CC(=O)CNc2c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c2I,[CaH2].CC(=O)CNc1c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c1I.CC(=O)CNc2c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c2I,"InChI=1/2C12H11I3N2O4.Ca.2H/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;;;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);;;/q;;+2;;/p-2/r2C12H11I3N2O4.CaH2/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);1H2/q;;+2/p-2",C12H11I3N2O4.1/2Ca,,,,,,QXGGSFDVECWECW-UHFFFAOYSA-L,,,,,,,,,,,
100.040.048,244-069-7,20830-81-3,Daunorubicin,"3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside",COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C,"InChI=1/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3",C27H29NO10,,,,,,STQGQHZAVUOBTE-VGBVRHCVSA-N,,,,,,,,,,,
100.039.668,243-651-8,20261-60-3,Bis[bis(2-hydroxyethyl)ammonium] sulphate,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] sulfate,OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]S(=O)(=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]S(=O)(=O)[O-],"InChI=1/2C4H11NO2.H2O4S/c2*6-3-1-5-2-4-7;1-5(2,3)4/h2*5-7H,1-4H2;(H2,1,2,3,4)",C4H11NO2.1/2H2O4S,,,,,,KIXITUQQGMENCA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.672,243-656-5,20265-96-7,4-chloroanilinium chloride,4-chloroanilinium chloride,[Cl-].[NH3+]c1ccc(Cl)cc1,[Cl-].[NH3+]c1ccc(Cl)cc1,"InChI=1/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H",C6H6ClN.ClH,,,,,,ISJBQSJDQZLCSF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.702,241-489-2,17474-44-1,"4,4'-methylenebis[2-nitroaniline]","4,4'-methylenebis(2-nitroaniline)",Nc1ccc(Cc2ccc(N)c(c2)[N+](=O)[O-])cc1[N+](=O)[O-],Nc1ccc(Cc2ccc(N)c(c2)[N+](=O)[O-])cc1[N+](=O)[O-],"InChI=1/C13H12N4O4/c14-10-3-1-8(6-12(10)16(18)19)5-9-2-4-11(15)13(7-9)17(20)21/h1-4,6-7H,5,14-15H2",C13H12N4O4,,,,,,WJLPZRZKWVPCMN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.915,237-322-8,13746-62-8,"2-methoxy-6-(5,5,6-trimethyl-2-norbornyl)phenol","2-methoxy-6-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1cccc(C2CC3CC2C(C)C3(C)C)c1O,COc1cccc(C2CC3CC2C(C)C3(C)C)c1O,"InChI=1/C17H24O2/c1-10-13-8-11(17(10,2)3)9-14(13)12-6-5-7-15(19-4)16(12)18/h5-7,10-11,13-14,18H,8-9H2,1-4H3",C17H24O2,,,,,,SLHRWDADMOLIBN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.934,237-343-2,13756-48-4,Ethyl (cyanomethyl)carbamate,ethyl (cyanomethyl)carbamate,CCOC(=O)NCC#N,CCOC(=O)NCC#N,"InChI=1/C5H8N2O2/c1-2-9-5(8)7-4-3-6/h2,4H2,1H3,(H,7,8)",C5H8N2O2,,,,,,AHGQESFVDCNOGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.937,237-346-9,13759-80-3,Ytterbium phosphate,ytterbium phosphate,[Yb+2].[Yb+2].[Yb+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Yb+2].[Yb+2].[Yb+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2H3O4P.3Yb.6H/c2*1-5(2,3)4;;;;;;;;;/h2*(H3,1,2,3,4);;;;;;;;;/q;;3*+2;;;;;;/p-6/r2H3O4P.3H2Yb/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);3*1H2/q;;3*+2/p-6",H3O4P.Yb,,,,,,PXCFFOYHAWVVRC-UHFFFAOYSA-H,,,,,,,,,,,
100.033.939,237-349-5,13759-88-1,Europium tribromide,-,[Br-].[Br-].[Br-].[Eu+2],[Br-].[Br-].[Br-].[Eu+2],InChI=1/3BrH.Eu/h3*1H;/q;;;+2/p-3,Br3Eu,,,,,,GJTREPCQBHSSHK-UHFFFAOYSA-K,,,,,,,,,,,
100.033.943,237-353-7,13760-79-7,Thulium trifluoride,thulium trifluoride,[F-].[F-].[F-].[Tm+3],[F-].[F-].[F-].[Tm+3],InChI=1/3FH.Tm/h3*1H;/q;;;+3/p-3,F3Tm,,,,,,AATUHDXSJTXIHB-UHFFFAOYSA-K,,,,,,,,,,,
100.033.953,237-364-7,13764-49-3,"[5a,7a(R)]-4,5-epoxy-3-hydroxy-6-methoxy-a,17-dimethyl-a-propyl-6,14-ethenomorphinan-7-methanol hydrochloride","18-(1-hydroxy-1-methylbutyl)-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride",Cl.CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]4Oc5c(O)ccc6C[C@H]2N(C)CC[C@@]34c56,Cl.CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]4Oc5c(O)ccc6C[C@H]2N(C)CC[C@@]34c56,"InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H",C25H33NO4.ClH,,,,,,JNHPUZURWFYYHW-DTUSRQQPSA-N,,,,,,,,,,,
100.037.587,241-363-7,17341-93-4,"2,2,2-trichloroethyl chloroformate","2,2,2-trichloroethyl chlorocarbonate",ClC(=O)OCC(Cl)(Cl)Cl,ClC(=O)OCC(Cl)(Cl)Cl,"InChI=1/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2",C3H2Cl4O2,,,,,,LJCZNYWLQZZIOS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.591,241-367-9,17345-61-8,"3,4-dihydroxybenzonitrile","3,4-dihydroxybenzonitrile",Oc1ccc(cc1O)C#N,Oc1ccc(cc1O)C#N,"InChI=1/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H",C7H5NO2,,,,,,NUWHYWYSMAPBHK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.592,241-368-4,17345-68-5,"2-chloro-1-(2,3,4-trihydroxyphenyl)ethan-1-one","2-chloro-1-(2,3,4-trihydroxyphenyl)ethanone",Oc1ccc(C(=O)CCl)c(O)c1O,Oc1ccc(C(=O)CCl)c(O)c1O,"InChI=1/C8H7ClO4/c9-3-6(11)4-1-2-5(10)8(13)7(4)12/h1-2,10,12-13H,3H2",C8H7ClO4,,,,,,UTPCCKXIPAMQDD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.597,241-374-7,17350-17-3,3-phenyl-N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-alanine,1-[(benzyloxy)carbonyl]-L-prolylphenylalanine,OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3,OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3,"InChI=1/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)",C22H24N2O5,,,,,,GMUYSWQSSRROPG-OALUTQOASA-N,,,,,,,,,,,
100.037.601,241-378-9,17353-70-7,"Carbonic acid, potassium salt",potassium hydrogen carbonate,[K+].OC(=O)[O-],[K+].OC(=O)[O-],"InChI=1/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",CH2O3.xK,,,,,,TYJJADVDDVDEDZ-UHFFFAOYSA-M,,,,,,,,,,,
100.037.602,241-379-4,17354-14-2,"1,4-bis(butylamino)anthraquinone","1,4-bis(butylamino)-9,10-anthraquinone",CCCCNc1ccc(NCCCC)c2C(=O)c3ccccc3C(=O)c12,CCCCNc1ccc(NCCCC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3",C22H26N2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17940,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.602,OCQDPIXQTSYZJL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.604,241-382-0,17354-79-9,"3,3'-[(4-formylphenyl)imino]bispropiononitrile","3,3'-[(4-formylphenyl)imino]dipropanenitrile",O=Cc1ccc(cc1)N(CCC#N)CCC#N,O=Cc1ccc(cc1)N(CCC#N)CCC#N,"InChI=1/C13H13N3O/c14-7-1-9-16(10-2-8-15)13-5-3-12(11-17)4-6-13/h3-6,11H,1-2,9-10H2",C13H13N3O,,,,,,VWILPRABHZNINB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.606,241-384-1,17356-09-1,p-iodocumene,1-iodo-4-isopropylbenzene,CC(C)c1ccc(I)cc1,CC(C)c1ccc(I)cc1,"InChI=1/C9H11I/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3",C9H11I,,,,,,PQJOSEVTIKYWLH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.607,241-385-7,17356-19-3,1-ethynylcyclopentanol,1-ethynylcyclopentanol,OC1(CCCC1)C#C,OC1(CCCC1)C#C,"InChI=1/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2",C7H10O,,,,,,LQMDOONLLAJAPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.659,243-641-3,20249-05-2,"2,2'-[(5-acetamido-2-ethoxyphenyl)imino]diethyl diacetate","[(5-acetamido-2-ethoxyphenyl)imino]diethane-2,1-diyl diacetate",CCOc1ccc(NC(=O)C)cc1N(CCOC(=O)C)CCOC(=O)C,CCOc1ccc(NC(=O)C)cc1N(CCOC(=O)C)CCOC(=O)C,"InChI=1/C18H26N2O6/c1-5-24-18-7-6-16(19-13(2)21)12-17(18)20(8-10-25-14(3)22)9-11-26-15(4)23/h6-7,12H,5,8-11H2,1-4H3,(H,19,21)",C18H26N2O6,,,,,,PJCAOXWCMOVGQL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.993,246-209-2,24370-25-0,Benzimidazol-2-ylurea,1-(1H-benzimidazol-2-yl)urea,NC(=O)Nc1nc2ccccc2[nH]1,NC(=O)Nc1nc2ccccc2[nH]1,"InChI=1/C8H8N4O/c9-7(13)12-8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H4,9,10,11,12,13)",C8H8N4O,,,,,,LNYZEFQMIURYEI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.996,246-212-9,24379-26-8,Triphenyl(salicyloyloxy)stannane,2-{[(triphenylstannyl)oxy]carbonyl}phenol,Oc1ccccc1C(=O)O[Sn](c2ccccc2)(c3ccccc3)c4ccccc4,Oc1ccccc1C(=O)O[Sn](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C7H6O3.3C6H5.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-2-4-6-5-3-1;/h1-4,8H,(H,9,10);3*1-5H;/q;;;;+1/p-1/rC25H20O3Sn/c26-24-19-11-10-18-23(24)25(27)28-29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,26H",C25H20O3Sn,,,,,,KBUBQYVZGBKROA-UHFFFAOYSA-M,,,,,,,,,,,
100.043.627,248-005-9,26789-26-4,"4-[[2-chloro-5-[[(2,4,5-trichlorophenyl)amino]carbonyl]phenyl]azo]-3-hydroxy-N-1-naphthylnaphthalene-2-carboxamide","4-({2-chloro-5-[(2,4,5-trichlorophenyl)carbamoyl]phenyl}diazenyl)-3-hydroxy-N-1-naphthyl-2-naphthamide",Oc1c(cc2ccccc2c1N=Nc3cc(ccc3Cl)C(=O)Nc4cc(Cl)c(Cl)cc4Cl)C(=O)Nc5cccc6ccccc56,Oc1c(cc2ccccc2c1N=Nc3cc(ccc3Cl)C(=O)Nc4cc(Cl)c(Cl)cc4Cl)C(=O)Nc5cccc6ccccc56,"InChI=1/C34H20Cl4N4O3/c35-24-13-12-20(33(44)40-29-17-26(37)25(36)16-27(29)38)15-30(24)41-42-31-22-10-4-2-7-19(22)14-23(32(31)43)34(45)39-28-11-5-8-18-6-1-3-9-21(18)28/h1-17,43H,(H,39,45)(H,40,44)",C34H20Cl4N4O3,,,,,,JMKYXIXWWSRPBF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.629,248-008-5,26791-93-5,"Methyl 4,5-dimethoxy-2-nitrobenzoate","methyl 4,5-dimethoxy-2-nitrobenzoate",COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-],COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-],"InChI=1/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H3",C10H11NO6,,,,,,SYYKLKHBZGFKOC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.634,248-013-2,26810-97-9,Cycloheptatrienylium hexachloroantimonate(1-),"cyclohepta-1,3,5-trienylium hexachloroantimonate(1-)",Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.C1C=CC=CC=[C+]1,Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.C1C=CC=CC=[C+]1,"InChI=1/C7H8.6ClH.Sb/c1-2-4-6-7-5-3-1;;;;;;;/h1-6H,7H2;6*1H;/q+1;;;;;;;+5/p-6/rC7H8.Cl6Sb/c1-2-4-6-7-5-3-1;1-7(2,3,4,5)6/h1-6H,7H2;/q+1;-1",C7H7.Cl6Sb,,,,,,OKEPGJWIIBYKLG-UHFFFAOYSA-H,,,,,,,,,,,
100.043.637,248-016-9,26826-30-2,2-[2-[2-(tetradecyloxy)ethoxy]ethoxy]ethanol,2-{2-[2-(tetradecyloxy)ethoxy]ethoxy}ethanol,CCCCCCCCCCCCCCOCCOCCOCCO,CCCCCCCCCCCCCCOCCOCCOCCO,"InChI=1/C20H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-17-19-24-20-18-23-16-14-21/h21H,2-20H2,1H3",C20H42O4,,,,,,NBPXCCCUFZBDQE-UHFFFAOYSA-N,Positive,LIT00013,,,90:133:151,Literature_Specs,,,,,
100.043.642,248-022-1,26834-28-6,Sodium dinonylnaphthalenesulphonate,"sodium 2,3-dinonylnaphthalene-1-sulfonate",[Na+].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C28H44O3S.Na/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;+1/p-1",C28H44O3S.Na,,,,,,DHQIJSYTNIUZRY-UHFFFAOYSA-M,,,,,,,,,,,
100.043.646,248-026-3,26836-42-0,Sucrose tripalmitate,"3-O-palmitoyl-beta-D-fructofuranosyl 2,3-di-O-palmitoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C60H112O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(64)70-56-54(67)49(46-61)69-59(57(56)71-52(65)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)74-60(48-63)58(55(68)50(47-62)73-60)72-53(66)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h49-50,54-59,61-63,67-68H,4-48H2,1-3H3",C60H112O14,,,,,,QCRVNFXOVCADOQ-UWVXNQQFSA-N,,,,,,,,,,,
100.043.661,248-043-6,26846-41-3,"Dibenzo[a,h]phenazine-1,8-diol","dibenzo[a,h]phenazine-1,8-diol",Oc1cccc2ccc3nc4c(ccc5cccc(O)c45)nc3c12,Oc1cccc2ccc3nc4c(ccc5cccc(O)c45)nc3c12,"InChI=1/C20H12N2O2/c23-15-5-1-3-11-7-9-13-19(17(11)15)21-14-10-8-12-4-2-6-16(24)18(12)20(14)22-13/h1-10,23-24H",C20H12N2O2,,,,,,MHKAOXNMFIOVAW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.252,247-593-4,26294-98-4,(E)-pent-2-enenitrile,pent-2-enenitrile,CC\\C=C\\C#N,CC\C=C\C#N,"InChI=1/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3",C5H7N,,,,,,ISBHMJZRKAFTGE-ONEGZZNKSA-N,,,,,,,,,,,
100.043.258,247-600-0,26305-03-3,Pepstatin,N-(3-methylbutanoyl)-L-valyl-N-{4-[(2-{[1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl]amino}-1-methyl-2-oxoethyl)amino]-2-hydroxy-1-isobutyl-4-oxobutyl}-L-valinamide,CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O,CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O,"InChI=1/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)",C34H63N5O9,,,,,,FAXGPCHRFPCXOO-LXTPJMTPSA-N,,,,,,,,,,,
100.040.786,244-881-1,22260-51-1,"2-bromo-12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate","2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate (salt)",CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.CS(=O)(=O)O,CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.CS(=O)(=O)O,"InChI=1/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)",C32H40BrN5O5.CH4O3S,,,,,,NOJMTMIRQRDZMT-GSPXQYRGSA-N,,,,,,,,,,,
100.040.787,244-882-7,22261-94-5,1-methyl-N-phenylpiperidin-4-amine,1-methyl-N-phenylpiperidin-4-amine,CN1CCC(CC1)Nc2ccccc2,CN1CCC(CC1)Nc2ccccc2,"InChI=1/C12H18N2/c1-14-9-7-12(8-10-14)13-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3",C12H18N2,,,,,,GXJSWUKLJQHQFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.790,244-885-3,22275-34-9,5-phenylbarbituric acid,"5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",O=C1NC(=O)C(C(=O)N1)c2ccccc2,O=C1NC(=O)C(C(=O)N1)c2ccccc2,"InChI=1/C10H8N2O3/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5,7H,(H2,11,12,13,14,15)",C10H8N2O3,,,,,,HTEHILLCBQWTLP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.792,244-887-4,22276-63-7,3-chloro-4-(diethylamino)benzenediazonium tetrafluoroborate,3-chloro-4-(diethylamino)benzenediazonium tetrafluoroborate,CCN(CC)c1ccc(cc1Cl)[N+]#N.F[B-](F)(F)F,CCN(CC)c1ccc(cc1Cl)[N+]#N.F[B-](F)(F)F,"InChI=1/C10H13ClN3.BF4/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;2-1(3,4)5/h5-7H,3-4H2,1-2H3;/q+1;-1",C10H13ClN3.BF4,,,,,,NVTSOJQNSRPOKR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.794,244-890-0,22281-18-1,"Naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione","naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione",O=C1N2C(=Nc3ccccc13)C=C4c5ccccc5C(=O)c6cccc2c46,O=C1N2C(=Nc3ccccc13)C=C4c5ccccc5C(=O)c6cccc2c46,InChI=1/C23H12N2O2/c26-22-14-7-2-1-6-13(14)17-12-20-24-18-10-4-3-8-15(18)23(27)25(20)19-11-5-9-16(22)21(17)19/h1-12H,C23H12N2O2,,,,,,ZQCQJALTXDGORV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.797,244-893-7,22287-00-9,(Z)-oct-2-en-4-ol,oct-2-en-4-ol,CCCCC(O)\\C=C/C,CCCCC(O)\C=C/C,"InChI=1/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3",C8H16O,,,,,,WGDUEFYADBRNKG-XQRVVYSFSA-N,,,,,,,,,,,
100.040.802,244-898-4,22302-09-6,Aluminium tri(naphthalene-1-sulphonate),aluminum trinaphthalene-1-sulfonate,[Al+3].[O-]S(=O)(=O)c1cccc2ccccc12.[O-]S(=O)(=O)c3cccc4ccccc34.[O-]S(=O)(=O)c5cccc6ccccc56,[Al+3].[O-]S(=O)(=O)c1cccc2ccccc12.[O-]S(=O)(=O)c3cccc4ccccc34.[O-]S(=O)(=O)c5cccc6ccccc56,"InChI=1/3C10H8O3S.Al/c3*11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h3*1-7H,(H,11,12,13);/q;;;+3/p-3",C10H8O3S.1/3Al,,,,,,ZGGTXWJUABLXKA-UHFFFAOYSA-K,,,,,,,,,,,
100.040.803,244-900-3,22302-43-8,Calcium diicosanoate,calcium diicosanoate,[Ca+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C20H40O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2",C20H40O2.1/2Ca,,,,,,BMQVRJOWNGSIEG-UHFFFAOYSA-L,,,,,,,,,,,
100.040.804,244-901-9,22302-65-4,N-(5-hydroxy-1-naphthyl)acetamide,N-(5-hydroxy-1-naphthyl)acetamide,CC(=O)Nc1cccc2c(O)cccc12,CC(=O)Nc1cccc2c(O)cccc12,"InChI=1/C12H11NO2/c1-8(14)13-11-6-2-5-10-9(11)4-3-7-12(10)15/h2-7,15H,1H3,(H,13,14)",C12H11NO2,,,,,,BVGSTJDGMQHVGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.805,244-902-4,22304-57-0,"2,3,3,3-tetrafluoro-2-(pentafluorophenoxy)propionyl fluoride","2,3,3,3-tetrafluoro-2-(pentafluorophenoxy)propanoyl fluoride",FC(=O)C(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F,FC(=O)C(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F,"InChI=1/C9F10O2/c10-1-2(11)4(13)6(5(14)3(1)12)21-8(16,7(15)20)9(17,18)19",C9F10O2,,,,,,YZGGYKGDCXXVHY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.810,244-908-7,22316-47-8,Clobazam,"7-chloro-1-methyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione",CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13,CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3",C16H13ClN2O2,,,,,,CXOXHMZGEKVPMT-UHFFFAOYSA-N,Positive,AU159806;EQ359301|EQ359302|EQ359303|EQ359304|EQ359305|EQ359306|EQ359307|EQ359308|EQ359309,[M+H]+;[M+H]+,CIDRAMP 21.6-32.4;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,259.0637:261.0609:260.0667;301.0735:259.0631|259.063:301.0736:233.0839|259.063:224.0943:105.0334|259.0631:224.0943:105.0334|224.0943:153.0213:105.0334|153.0213:223.0865:224.0943|215.037:118.0525:95.0491|179.0603:90.0338:118.0525|63.0229:179.0603:50.0151,Athens_Univ;Eawag,,,,,
100.040.811,244-909-2,22316-55-8,"8-chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione","8-chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione",Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)c2c1,Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)c2c1,"InChI=1/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)",C15H11ClN2O2,,,,,,RRTVVRIFVKKTJK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.814,244-912-9,22326-31-4,5-sulphoisophthalic acid,5-sulfoisophthalic acid,OC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)O,OC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)O,"InChI=1/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)",C8H6O7S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12573,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.814,CARJPEPCULYFFP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.818,244-917-6,22331-70-0,"p-methoxy-N,a-dimethylphenethylamine",1-(4-methoxyphenyl)-N-methylpropan-2-amine,CNC(C)Cc1ccc(OC)cc1,CNC(C)Cc1ccc(OC)cc1,"InChI=1/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3",C11H17NO,,,,,,UGFMBZYKVQSQFX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.825,244-924-4,22346-43-6,4-hydroxy-7-(methylamino)naphthalene-2-sulphonic acid,4-hydroxy-7-(methylamino)naphthalene-2-sulfonic acid,CNc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,CNc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,"InChI=1/C11H11NO4S/c1-12-8-2-3-10-7(4-8)5-9(6-11(10)13)17(14,15)16/h2-6,12-13H,1H3,(H,14,15,16)",C11H11NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18196,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.825,ZCNCWYFISJTFHB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.830,244-930-7,22349-03-7,Nonadecylcyclohexane,nonadecylcyclohexane,CCCCCCCCCCCCCCCCCCCC1CCCCC1,CCCCCCCCCCCCCCCCCCCC1CCCCC1,"InChI=1/C25H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h25H,2-24H2,1H3",C25H50,,,,,,YVTPTBVYGTYTKP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.679,243-663-3,20270-50-2,"Bis(3,5,5-trimethylhexyl) adipate","bis(3,5,5-trimethylhexyl) adipate",CC(CCOC(=O)CCCCC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOC(=O)CCCCC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C24H46O4/c1-19(17-23(3,4)5)13-15-27-21(25)11-9-10-12-22(26)28-16-14-20(2)18-24(6,7)8/h19-20H,9-18H2,1-8H3",C24H46O4,,,,,,ISQGOXKDLGVOKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.684,243-669-6,20277-69-4,Sodium methanesulphinate,sodium methanesulfinate,[Na+].CS(=O)[O-],[Na+].CS(=O)[O-],"InChI=1/CH4O2S.Na/c1-4(2)3;/h1H3,(H,2,3);/q;+1/p-1",CH4O2S.Na,,,,,,LYPGDCWPTHTUDO-UHFFFAOYSA-M,,,,,,,,,,,
100.039.688,243-673-8,20279-25-8,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate",CCC(=O)OC1CC2CCC1(C)C2(C)C,CCC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3",C13H22O2,,,,,,FAFMZORPAAGQFV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.694,243-680-6,20282-30-8,"3-(1-methylethyl)-1,1'-biphenyl",3-isopropylbiphenyl,CC(C)c1cccc(c1)c2ccccc2,CC(C)c1cccc(c1)c2ccccc2,"InChI=1/C15H16/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13/h3-12H,1-2H3",C15H16,,,,,,LIWRTHVZRZXVFX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.699,243-685-3,20285-16-9,Sodium p-cymene-5-hydroxy-2-sulphonate,sodium 4-hydroxy-5-isopropyl-2-methylbenzenesulfonate,CC(C)c1cc(c(C)cc1O)S(=O)(=O)O[Na],CC(C)c1cc(c(C)cc1O)S(=O)(=O)O[Na],"InChI=1/C10H14O4S.Na/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;/h4-6,11H,1-3H3,(H,12,13,14);/q;+1/p-1/rC10H13NaO4S/c1-6(2)8-5-10(16(13,14)15-11)7(3)4-9(8)12/h4-6,12H,1-3H3",C10H14O4S.Na,,,,,,LYEYFCJGNCQFAY-UHFFFAOYSA-M,,,,,,,,,,,
100.039.701,243-687-4,20286-45-7,1-ethylhexyl butyrate,1-ethylhexyl butyrate,CCCCCC(CC)OC(=O)CCC,CCCCCC(CC)OC(=O)CCC,"InChI=1/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3",C12H24O2,,,,,,USSKZVIXWTWCGK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.703,243-690-0,20289-26-3,4-(phenylmethoxy)-1H-indole,4-(benzyloxy)-1H-indole,C(Oc1cccc2[nH]ccc12)c3ccccc3,C(Oc1cccc2[nH]ccc12)c3ccccc3,"InChI=1/C15H13NO/c1-2-5-12(6-3-1)11-17-15-8-4-7-14-13(15)9-10-16-14/h1-10,16H,11H2",C15H13NO,,,,,,LJFVSIDBFJPKLD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.707,243-694-2,20291-75-2,"1,2,8-trimethylphenanthrene","1,2,8-trimethylphenanthrene",Cc1ccc2c(ccc3c(C)cccc23)c1C,Cc1ccc2c(ccc3c(C)cccc23)c1C,"InChI=1/C17H16/c1-11-7-8-17-15(13(11)3)10-9-14-12(2)5-4-6-16(14)17/h4-10H,1-3H3",C17H16,,,,,,WWSRSGUHNCVWLP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.708,243-695-8,20291-98-9,"4-(methylamino)-2,6-dinitrophenol","4-(methylamino)-2,6-dinitrophenol",CNc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],CNc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H7N3O5/c1-8-4-2-5(9(12)13)7(11)6(3-4)10(14)15/h2-3,8,11H,1H3",C7H7N3O5,,,,,,RHHQGGGEFAQZLY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.714,243-702-4,20294-30-8,2-methylindan-4-ol,2-methylindan-4-ol,CC1Cc2cccc(O)c2C1,CC1Cc2cccc(O)c2C1,"InChI=1/C10H12O/c1-7-5-8-3-2-4-10(11)9(8)6-7/h2-4,7,11H,5-6H2,1H3",C10H12O,,,,,,AJZJWTXGQXUPNB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.716,243-705-0,20294-32-0,6-methylindan-4-ol,6-methylindan-4-ol,Cc1cc(O)c2CCCc2c1,Cc1cc(O)c2CCCc2c1,"InChI=1/C10H12O/c1-7-5-8-3-2-4-9(8)10(11)6-7/h5-6,11H,2-4H2,1H3",C10H12O,,,,,,ZYSDYEFSMQZMQA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.670,248-053-0,26850-47-5,2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride,"2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chloride",[Cl-].CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[Cl-].CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C19H23N4O2S.ClH/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;/h5-10,13,24H,4,11-12H2,1-3H3;1H/q+1;/p-1",C19H23N4O2S.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18589,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.670,XZLJSWJFZGBAQT-UHFFFAOYSA-M,,,,,,,,,,,
100.043.676,248-059-3,26854-48-8,Phenyloctadecanoic acid,2-phenyloctadecanoic acid,CCCCCCCCCCCCCCCCC(C(=O)O)c1ccccc1,CCCCCCCCCCCCCCCCC(C(=O)O)c1ccccc1,"InChI=1/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24(25)26)22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3,(H,25,26)",C24H40O2,,,,,,MKJHXLKVZNDNDB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.685,248-069-8,26864-36-8,"2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stibatetradecanoate","2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-stibatetradecan-1-oate",CCCCC(CC)COC(=O)CS[Sb](SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CS[Sb](SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/3C10H20O2S.Sb/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;/h3*9,13H,3-8H2,1-2H3;/q;;;+3/p-3/rC30H57O6S3Sb/c1-7-13-16-25(10-4)19-34-28(31)22-37-40(38-23-29(32)35-20-26(11-5)17-14-8-2)39-24-30(33)36-21-27(12-6)18-15-9-3/h25-27H,7-24H2,1-6H3",C30H57O6S3Sb,,,,,,DDMNAZJLNYNMMN-UHFFFAOYSA-K,,,,,,,,,,,
100.037.610,241-388-3,17360-35-9,Bis[1-[4-(pyrrolidin-1-yl)but-2-ynyl]pyrrolidin-2-one] trifumarate,1-(4-pyrrolidin-1-ylbut-2-yn-1-yl)pyrrolidin-2-one but-2-enedioate (2:3),OC(=O)\\C=C\\C(=O)O.OC(=O)\\C=C\\C(=O)O.OC(=O)\\C=C\\C(=O)O.O=C1CCCN1CC#CCN2CCCC2.O=C3CCCN3CC#CCN4CCCC4,OC(=O)\C=C\C(=O)O.OC(=O)\C=C\C(=O)O.OC(=O)\C=C\C(=O)O.O=C1CCCN1CC#CCN2CCCC2.O=C3CCCN3CC#CCN4CCCC4,"InChI=1/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)",C12H18N2O.3/2C4H4O4,,,,,,WLYYOFJEBGHKEC-VQYXCCSOSA-N,,,,,,,,,,,
100.037.620,241-399-3,17368-12-6,2-chloropyridin-4-ol,2-chloropyridin-4-ol,Oc1ccnc(Cl)c1,Oc1ccnc(Cl)c1,"InChI=1/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)",C5H4ClNO,,,,,,VBEHFOMFHUQAOW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.622,241-401-2,17369-57-2,m-methylbenzyl acetate,3-methylbenzyl acetate,CC(=O)OCc1cccc(C)c1,CC(=O)OCc1cccc(C)c1,"InChI=1/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3",C10H12O2,,,,,,QPTQLFCBVFKFLY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.623,241-402-8,17369-59-4,3-propylidenephthalide,3-propylidene-2-benzofuran-1(3H)-one,O=C1OC(=CCC)c2ccccc12,O=C1OC(=CCC)c2ccccc12,"InChI=1/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3",C11H10O2,,,,,,NGSZDVVHIGAMOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.624,241-403-3,17369-60-7,"5-ethyl-2,3,4,5-tetramethylcyclohexen-1-one","5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one",CCC1(C)CC(=O)C(=C(C)C1C)C,CCC1(C)CC(=O)C(=C(C)C1C)C,"InChI=1/C12H20O/c1-6-12(5)7-11(13)9(3)8(2)10(12)4/h10H,6-7H2,1-5H3",C12H20O,,,,,,WVMYETLAAOQTLM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.316,237-763-6,13979-81-2,"3,5-dibromo-p-cresol","3,5-dibromo-4-methylphenol",Cc1c(Br)cc(O)cc1Br,Cc1c(Br)cc(O)cc1Br,"InChI=1/C7H6Br2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3",C7H6Br2O,,,,,,AXCQKKVGMZCWPC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.318,237-765-7,13980-00-2,"1-acetyloctahydro-3,5,7-trinitro-1,3,5,7-tetrazocine","1-acetyl-3,5,7-trinitro-1,3,5,7-tetrazocane",CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H11N7O7/c1-6(14)7-2-8(11(15)16)4-10(13(19)20)5-9(3-7)12(17)18/h2-5H2,1H3",C6H11N7O7,,,,,,CJYDNDLQIIGSTH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.329,237-777-2,13985-56-3,"2-ethyl-1,3-dinitrobenzene","2-ethyl-1,3-dinitrobenzene",CCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],CCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-2-6-7(9(11)12)4-3-5-8(6)10(13)14/h3-5H,2H2,1H3",C8H8N2O4,,,,,,SWASTJCUMFALOW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.330,237-778-8,13985-60-9,"2-ethyl-1,3,5-trinitrobenzene","2-ethyl-1,3,5-trinitrobenzene",CCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H7N3O6/c1-2-6-7(10(14)15)3-5(9(12)13)4-8(6)11(16)17/h3-4H,2H2,1H3",C8H7N3O6,,,,,,VDKWJWFQFPWXFC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.333,237-781-4,13987-61-6,N-methylene-tert-butylamine,2-methyl-N-methylenepropan-2-amine,CC(C)(C)N=C,CC(C)(C)N=C,"InChI=1/C5H11N/c1-5(2,3)6-4/h4H2,1-3H3",C5H11N,,,,,,RSUCYDXEFFBUSN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.334,237-783-5,13987-76-3,"3,5,7-trimethyltricyclo[3.3.1.13,7]decan-1-ol","3,5,7-trimethyladamantan-1-ol",CC12CC3(C)CC(C)(C1)CC(O)(C3)C2,CC12CC3(C)CC(C)(C1)CC(O)(C3)C2,"InChI=1/C13H22O/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h14H,4-9H2,1-3H3",C13H22O,,,,,,DVKFVAJDHKVYLK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.336,237-785-6,13988-28-8,"6-(2-diethylaminoethylamino)-2,4,9-(trimethyl)thiochromeno[2,3-b]pyridin-5-one","6-{[2-(diethylamino)ethyl]amino}-2,4,9-trimethyl-5H-thiochromeno[2,3-b]pyridin-5-one",CCN(CC)CCNc1ccc(C)c2Sc3nc(C)cc(C)c3C(=O)c12,CCN(CC)CCNc1ccc(C)c2Sc3nc(C)cc(C)c3C(=O)c12,"InChI=1/C21H27N3OS/c1-6-24(7-2)11-10-22-16-9-8-13(3)20-18(16)19(25)17-14(4)12-15(5)23-21(17)26-20/h8-9,12,22H,6-7,10-11H2,1-5H3",C21H27N3OS,,,,,,CYJKCTSECWDKKL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.337,237-786-1,13988-32-4,"1-(p-ethoxyphenyl)-N,N-diethyl-3-phenylbutylamine","1-(4-ethoxyphenyl)-N,N-diethyl-3-phenylbutan-1-amine",CCOc1ccc(cc1)C(CC(C)c2ccccc2)N(CC)CC,CCOc1ccc(cc1)C(CC(C)c2ccccc2)N(CC)CC,"InChI=1/C22H31NO/c1-5-23(6-2)22(17-18(4)19-11-9-8-10-12-19)20-13-15-21(16-14-20)24-7-3/h8-16,18,22H,5-7,17H2,1-4H3",C22H31NO,,,,,,FCLYRXWNSYOOPG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.338,237-787-7,13989-32-7,Diethylethoxyammonium chloride,ethoxy(diethyl)ammonium chloride,[Cl-].CCO[NH+](CC)CC,[Cl-].CCO[NH+](CC)CC,"InChI=1/C6H15NO.ClH/c1-4-7(5-2)8-6-3;/h4-6H2,1-3H3;1H",C6H15NO.ClH,,,,,,FWPPKSCKERLEGX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.339,237-788-2,13989-82-7,4-(dimethylamino)butyronitrile,4-(dimethylamino)butanenitrile,CN(C)CCCC#N,CN(C)CCCC#N,"InChI=1/C6H12N2/c1-8(2)6-4-3-5-7/h3-4,6H2,1-2H3",C6H12N2,,,,,,HCLFLZTVKYHLCF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.347,237-797-1,13997-73-4,2-allyl-4-chlorophenol,2-allyl-4-chlorophenol,Oc1ccc(Cl)cc1CC=C,Oc1ccc(Cl)cc1CC=C,"InChI=1/C9H9ClO/c1-2-3-7-6-8(10)4-5-9(7)11/h2,4-6,11H,1,3H2",C9H9ClO,,,,,,NQZKLVHWFYHXGH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.354,237-804-8,14002-51-8,p-phenylbenzoyl chloride,biphenyl-4-carbonyl chloride,ClC(=O)c1ccc(cc1)c2ccccc2,ClC(=O)c1ccc(cc1)c2ccccc2,InChI=1/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,C13H9ClO,,,,,,JPVUWCPKMYXOKW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.272,247-615-2,26330-64-3,6-ethyl-3-methyloct-5-en-1-ol,6-ethyl-3-methyloct-5-en-1-ol,CCC(=CCC(C)CCO)CC,CCC(=CCC(C)CCO)CC,"InChI=1/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h7,10,12H,4-6,8-9H2,1-3H3",C11H22O,,,,,,XSFCJNDQFKISFC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.275,247-618-9,26339-42-4,"(cis)-1,3-dibenzyldihydro-1H-furo[3,4-d]imidazole-2,4,6(3H)-trione","1,3-dibenzyldihydro-1H-furo[3,4-d]imidazole-2,4,6(3H)-trione",O=C1OC(=O)[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,O=C1OC(=O)[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,"InChI=1/C19H16N2O4/c22-17-15-16(18(23)25-17)21(12-14-9-5-2-6-10-14)19(24)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2",C19H16N2O4,,,,,,WIVKAHXCBJSNDF-IYBDPMFKSA-N,,,,,,,,,,,
100.043.282,247-626-2,26350-26-5,Chloro(chloromethyl)methylphosphine oxide,(chloromethyl)methylphosphinic chloride,CP(=O)(Cl)CCl,CP(=O)(Cl)CCl,"InChI=1/C2H5Cl2OP/c1-6(4,5)2-3/h2H2,1H3",C2H5Cl2OP,,,,,,ZDXUZZVQABKQKW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.286,247-630-4,26358-75-8,"Cholest-5-ene-1a,3ß-diol","cholest-5-ene-1,3-diol",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h9,17-18,20-25,28-29H,6-8,10-16H2,1-5H3",C27H46O2,,,,,,UXFVRWPSABSGRQ-AFWJMSMISA-N,,,,,,,,,,,
100.043.291,247-636-7,26377-29-7,"Sodium O,O-dimethyl dithiophosphate","sodium O,O-dimethyl dithiophosphate",[Na+].COP(=S)([S-])OC,[Na+].COP(=S)([S-])OC,"InChI=1/C2H7O2PS2.Na/c1-3-5(6,7)4-2;/h1-2H3,(H,6,7);/q;+1/p-1",C2H7O2PS2.Na,,,,,,NDBRRRXCHZEEMS-UHFFFAOYSA-M,,,,,,,,,,,
100.043.293,247-638-8,26377-76-4,"2-1H-indol-3-ylisothiourea, monohydroiodide",1H-indol-3-yl imidothiocarbamate hydroiodide,I.NC(=N)Sc1c[nH]c2ccccc12,I.NC(=N)Sc1c[nH]c2ccccc12,"InChI=1/C9H9N3S.HI/c10-9(11)13-8-5-12-7-4-2-1-3-6(7)8;/h1-5,12H,(H3,10,11);1H",C9H9N3S.HI,,,,,,LQKOQCZXEQTTIW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.013,244-030-4,20779-11-7,Hexahydro-1H-azepine-2-pentylamine,5-azepan-2-ylpentan-1-amine,NCCCCCC1CCCCCN1,NCCCCCC1CCCCCN1,"InChI=1/C11H24N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h11,13H,1-10,12H2",C11H24N2,,,,,,MPSFGRAGPXQWOM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.019,244-037-2,20781-23-1,"Bis(2,4-dimethoxybenzyl)amine","N-(2,4-dimethoxybenzyl)-1-(2,4-dimethoxyphenyl)methanamine",COc1ccc(CNCc2ccc(OC)cc2OC)c(OC)c1,COc1ccc(CNCc2ccc(OC)cc2OC)c(OC)c1,"InChI=1/C18H23NO4/c1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3",C18H23NO4,,,,,,IZWMZVDEYOKQCG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.025,244-044-0,20792-41-0,Tripotassium hexacyanoiridate,-,[K+].[K+].[K+].N#C[Ir-2](C#N)(C#N)(C#N)(C#N)C#N,[K+].[K+].[K+].N#C[Ir-2](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Ir.3K/c6*1-2;;;;/q;;;;;;-2;3*+1/rC6IrN6.3K/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;/q-2;3*+1",C6IrN6.3K,,,,,,PCYXGYJNFSTPTB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.034,244-054-5,20812-18-4,"Tris(2,4-bis(1-phenylethyl)phenyl) phosphate","tris[2,4-bis(1-phenylethyl)phenyl] phosphate",CC(c1ccccc1)c2ccc(OP(=O)(Oc3ccc(cc3C(C)c4ccccc4)C(C)c5ccccc5)Oc6ccc(cc6C(C)c7ccccc7)C(C)c8ccccc8)c(c2)C(C)c9ccccc9,CC(c1ccccc1)c2ccc(OP(=O)(Oc3ccc(cc3C(C)c4ccccc4)C(C)c5ccccc5)Oc6ccc(cc6C(C)c7ccccc7)C(C)c8ccccc8)c(c2)C(C)c9ccccc9,"InChI=1/C66H63O4P/c1-46(52-25-13-7-14-26-52)58-37-40-64(61(43-58)49(4)55-31-19-10-20-32-55)68-71(67,69-65-41-38-59(47(2)53-27-15-8-16-28-53)44-62(65)50(5)56-33-21-11-22-34-56)70-66-42-39-60(48(3)54-29-17-9-18-30-54)45-63(66)51(6)57-35-23-12-24-36-57/h7-51H,1-6H3",C66H63O4P,,,,,,USZKGISFVCMAAL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.041,244-061-3,20820-82-0,"2,3,4,6-tetramethylpyridine","2,3,4,6-tetramethylpyridine",Cc1cc(C)c(C)c(C)n1,Cc1cc(C)c(C)c(C)n1,"InChI=1/C9H13N/c1-6-5-7(2)10-9(4)8(6)3/h5H,1-4H3",C9H13N,,,,,,QBSVEFGWBSANTE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.674,243-658-6,20266-00-6,1-(chloroacetyl)pyrrolidine,1-(chloroacetyl)pyrrolidine,ClCC(=O)N1CCCC1,ClCC(=O)N1CCCC1,InChI=1/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2,C6H10ClNO,,,,,,AAOSLLBWWRKJIR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.677,243-661-2,20267-56-5,"O,O-dipotassium dithiooxalate","O,O-dipotassium dithiooxalate",[K]OC(=O)C(=S)O[K],[K]OC(=O)C(=S)O[K],"InChI=1/C2H2O3S.2K/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",C2H2O2S2.2K,,,,,,FPERSNROHUNBFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.039.681,243-665-4,20272-84-8,"3ß-hydroxypregna-1,4-dien-20-one","3-hydroxypregna-1,4-dien-20-one",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,15-19,23H,4-7,9,11H2,1-3H3",C21H30O2,,,,,,SEQJJASTRQIGNI-QGVNFLHTSA-N,,,,,,,,,,,
100.039.691,243-676-4,20279-51-0,Hexyl lactate,hexyl 2-hydroxypropanoate,CCCCCCOC(=O)C(C)O,CCCCCCOC(=O)C(C)O,"InChI=1/C9H18O3/c1-3-4-5-6-7-12-9(11)8(2)10/h8,10H,3-7H2,1-2H3",C9H18O3,,,,,,KDPXOGYCOOUWOS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.831,244-931-2,22354-35-4,2-cyclopentylcyclopent-2-en-1-one,"1,1'-bi(cyclopentan)-5-en-2-one",O=C1CCC=C1C2CCCC2,O=C1CCC=C1C2CCCC2,"InChI=1/C10H14O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h6,8H,1-5,7H2",C10H14O,,,,,,IAHUXRDIKWJXQM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.832,244-932-8,22355-34-6,"Benzoic acid, compound with dicyclohexylamine (1:1)",N-cyclohexylcyclohexanamine benzoate,OC(=O)c1ccccc1.C2CCC(CC2)NC3CCCCC3,OC(=O)c1ccccc1.C2CCC(CC2)NC3CCCCC3,"InChI=1/C12H23N.C7H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h11-13H,1-10H2;1-5H,(H,8,9)",C12H23N.C7H6O2,,,,,,QNNPHOLOYSXYNU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.414,248-871-8,28155-72-8,Chromium(3+) lithium(1+) silicate(1:1:2),chromium(3+) lithium(1+) silicate(1:1:2),[Li+].[Cr+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Li+].[Cr+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/Cr.Li.2O3Si/c;;2*1-4(2)3/q+3;+1;2*-2,Cr.2H2O3Si.Li,,,,,,NAOFCMXYIBWGNE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.421,248-879-1,28166-41-8,2-cyano-3-(4-hydroxyphenyl)acrylic acid,2-cyano-3-(4-hydroxyphenyl)acrylic acid,OC(=O)\\C(=C/c1ccc(O)cc1)\\C#N,OC(=O)\C(=C/c1ccc(O)cc1)\C#N,"InChI=1/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)",C10H7NO3,,,,,,AFVLVVWMAFSXCK-YVMONPNESA-N,,,,,,,,,,,
100.044.427,248-885-4,28178-42-9,"2,6-diisopropylphenyl isocyanate","2-isocyanato-1,3-diisopropylbenzene",CC(C)c1cccc(C(C)C)c1N=C=O,CC(C)c1cccc(C(C)C)c1N=C=O,"InChI=1/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3",C13H17NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5630,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.427,FEUFNKALUGDEMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.430,248-889-6,28188-24-1,"2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]propane-1,3-diyl distearate","3-hydroxy-2,2-bis[(stearoyloxy)methyl]propyl stearate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C59H114O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)64-53-59(52-60,54-65-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-66-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h60H,4-55H2,1-3H3",C59H114O7,,,,,,FWCDLNRNBHJDQB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.431,248-890-1,28188-41-2,a-bromo-m-toluonitrile,3-(bromomethyl)benzonitrile,BrCc1cccc(c1)C#N,BrCc1cccc(c1)C#N,"InChI=1/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2",C8H6BrN,,,,,,CVKOOKPNCVYHNY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.432,248-891-7,28191-41-5,(2-ethylhexyl)guanidine monohydrochloride,1-(2-ethylhexyl)guanidine hydrochloride,Cl.CCCCC(CC)CNC(=N)N,Cl.CCCCC(CC)CNC(=N)N,"InChI=1/C9H21N3.ClH/c1-3-5-6-8(4-2)7-12-9(10)11;/h8H,3-7H2,1-2H3,(H4,10,11,12);1H",C9H21N3.ClH,,,,,,ZCSNOAXWZIPUHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.434,248-893-8,28197-66-2,N-[3-acetyl-4-(oxiranylmethoxy)phenyl]butyramide,N-[3-acetyl-4-(oxiran-2-ylmethoxy)phenyl]butanamide,CCCC(=O)Nc1ccc(OCC2CO2)c(c1)C(=O)C,CCCC(=O)Nc1ccc(OCC2CO2)c(c1)C(=O)C,"InChI=1/C15H19NO4/c1-3-4-15(18)16-11-5-6-14(13(7-11)10(2)17)20-9-12-8-19-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)",C15H19NO4,,,,,,MFGKLROXINRXIU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.444,248-905-1,28217-92-7,(cyclohexylmethyl)pyrazine,2-(cyclohexylmethyl)pyrazine,C(C1CCCCC1)c2cnccn2,C(C1CCCCC1)c2cnccn2,"InChI=1/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2",C11H16N2,,,,,,DGJZDAIWCSVZBI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.447,248-908-8,28219-61-6,"2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol","2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol",CCC(CO)=CCC1C\\C=C(\\C)C1(C)C,CCC(CO)=CCC1C\C=C(\C)C1(C)C,"InChI=1/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3",C14H24O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2205,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.447,KHQDWCKZXLWDNM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.455,248-917-7,28231-03-0,"Octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulen-5-ol",cedr-8(15)-en-9-ol,CC1CCC2C(C)(C)C3CC12CC(O)C3=C,CC1CCC2C(C)(C)C3CC12CC(O)C3=C,"InChI=1/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3",C15H24O,,,,,,DJYWGTBEZVORGE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.133,246-363-0,24621-61-2,"(S)-(+)-butane-1,3-diol","butane-1,3-diol",C[C@H](O)CCO,C[C@H](O)CCO,"InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",C4H10O2,,,,,,PUPZLCDOIYMWBV-BYPYZUCNSA-N,,,,,,,,,,,
100.042.146,246-377-7,24636-31-5,3-(chlorodimethylsilyl)propyl methacrylate,3-[chloro(dimethyl)silyl]propyl methacrylate,CC(=C)C(=O)OCCC[Si](C)(C)Cl,CC(=C)C(=O)OCCC[Si](C)(C)Cl,"InChI=1/C9H17ClO2Si/c1-8(2)9(11)12-6-5-7-13(3,4)10/h1,5-7H2,2-4H3",C9H17ClO2Si,,,,,,OKQXCDUCLYWRHA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.153,246-385-0,24650-10-0,2-[(4-aminocyclohexyl)methyl]cyclohexylamine,2-[(4-aminocyclohexyl)methyl]cyclohexanamine,NC1CCC(CC2CCCCC2N)CC1,NC1CCC(CC2CCCCC2N)CC1,"InChI=1/C13H26N2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h10-13H,1-9,14-15H2",C13H26N2,,,,,,NVNXODWZSQEWSM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.689,248-074-5,26864-56-2,Penfluridol,"1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol",OC1(CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1)c4ccc(Cl)c(c4)C(F)(F)F,OC1(CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1)c4ccc(Cl)c(c4)C(F)(F)F,"InChI=1/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2",C28H27ClF5NO,,,,,,MDLAAYDRRZXJIF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.692,248-077-1,26868-32-6,"N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)-4-methylbenzenesulphonamide","N-(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23,Cc1ccc(cc1)S(=O)(=O)Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C21H15BrN2O4S/c1-11-6-8-12(9-7-11)29(27,28)24-16-10-15(22)19(23)18-17(16)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,24H,23H2,1H3",C21H15BrN2O4S,,,,,,BDJMCMGZOMQUMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.295,247-640-9,26381-41-9,[8-[(p-aminophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride,"8-[(4-aminophenyl)diazenyl]-7-hydroxy-N,N,N-trimethylnaphthalen-2-aminium chloride",[Cl-].C[N+](C)(C)c2ccc3ccc(O)c(N=Nc1ccc(N)cc1)c3c2,[Cl-].C[N+](C)(C)c2ccc3ccc(O)c(N=Nc1ccc(N)cc1)c3c2,"InChI=1/C19H20N4O.ClH/c1-23(2,3)16-10-4-13-5-11-18(24)19(17(13)12-16)22-21-15-8-6-14(20)7-9-15;/h4-12H,1-3H3,(H2-,20,21,22,24);1H",C19H21N4O.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17386,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.295,UXEAWNJALIUYRH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.297,247-643-5,26386-42-5,Benzyl butyl terephthalate,benzyl butyl terephthalate,CCCCOC(=O)c1ccc(cc1)C(=O)OCc2ccccc2,CCCCOC(=O)c1ccc(cc1)C(=O)OCc2ccccc2,"InChI=1/C19H20O4/c1-2-3-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3",C19H20O4,,,,,,IEICWPCBTOBBDK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.298,247-644-0,26386-88-9,Diphenyl azidophosphate,diphenyl azidophosphate,[N-]=[N+]=N\\P(=O)(Oc1ccccc1)Oc2ccccc2,[N-]=[N+]=N\P(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C12H10N3O3P/c13-14-15-19(16,17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10H",C12H10N3O3P,,,,,,SORGEQQSQGNZFI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.301,247-647-7,26391-16-2,"1,2-dibromopropene","1,2-dibromoprop-1-ene",BrC(C)=CBr,BrC(C)=CBr,"InChI=1/C3H4Br2/c1-3(5)2-4/h2H,1H3",C3H4Br2,,,,,,JVNZUEVMRPWHLF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.314,247-661-3,26401-38-7,"Diisooctyl 2,2'-tetrathiodiacetate","bis(2,2,4-trimethylpentyl) 2,2'-tetrasulfane-1,4-diyldiacetate",CC(C)CC(C)(C)COC(=O)CSSSSCC(=O)OCC(C)(C)CC(C)C,CC(C)CC(C)(C)COC(=O)CSSSSCC(=O)OCC(C)(C)CC(C)C,"InChI=1/C20H38O4S4/c1-15(2)9-19(5,6)13-23-17(21)11-25-27-28-26-12-18(22)24-14-20(7,8)10-16(3)4/h15-16H,9-14H2,1-8H3",C20H38O4S4,,,,,,MDZAMXBGPDAEIF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.318,247-666-0,26401-97-8,"Diisooctyl 2,2'-[(dioctylstannylene)bis(thio)]diacetate","6-methylheptyl 14-methyl-4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate",CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,"InChI=1/2C10H20O2S.2C8H17.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC36H72O4S2Sn/c1-7-9-11-13-15-23-29-43(30-24-16-14-12-10-8-2,41-31-35(37)39-27-21-17-19-25-33(3)4)42-32-36(38)40-28-22-18-20-26-34(5)6/h33-34H,7-32H2,1-6H3",C36H72O4S2Sn,,,,,,HLRRSFOQAFMOTJ-UHFFFAOYSA-L,,,,,,,,,,,
100.043.325,247-673-9,26403-17-8,Isodecanoic acid,8-methylnonanoic acid,CC(C)CCCCCCC(=O)O,CC(C)CCCCCCC(=O)O,"InChI=1/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",C10H20O2,,,,,,OAOABCKPVCUNKO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.333,247-682-8,26412-79-3,"1,3-bis(3-aminopropyl)-5,5-dimethylimidazolidine-2,4-dione","1,3-bis(3-aminopropyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(CCCN)C(=O)N(CCCN)C1=O,CC1(C)N(CCCN)C(=O)N(CCCN)C1=O,"InChI=1/C11H22N4O2/c1-11(2)9(16)14(7-3-5-12)10(17)15(11)8-4-6-13/h3-8,12-13H2,1-2H3",C11H22N4O2,,,,,,SXRZZKRPPUYMMG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.343,247-693-8,26444-49-5,Diphenyl tolyl phosphate,4-methylphenyl diphenyl phosphate,Cc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,Cc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,"InChI=1/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3",C19H17O4P,,,,,,OJUZRFGUKHQNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.056,244-078-6,20845-34-5,1-methyl-2-piperidinemethanol,(1-methylpiperidin-2-yl)methanol,CN1CCCCC1CO,CN1CCCCC1CO,"InChI=1/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3",C7H15NO,,,,,,HXXJMMLIEYAFOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.057,244-079-1,20845-92-5,Rhodium tris(2-ethylhexanoate),-,[Rh+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Rh+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Rh/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+2/p-3",C8H16O2.1/3Rh,,,,,,YHUFCUUVCIPFPH-UHFFFAOYSA-K,,,,,,,,,,,
100.040.058,244-080-7,20849-78-9,4-(2-chloroethyl)benzoic acid,4-(2-chloroethyl)benzoic acid,OC(=O)c1ccc(CCCl)cc1,OC(=O)c1ccc(CCCl)cc1,"InChI=1/C9H9ClO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)",C9H9ClO2,,,,,,OOAPBGPLZAFZSO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.062,244-084-9,20856-57-9,Chloraniformethan,"N-{2,2,2-trichloro-1-[(3,4-dichlorophenyl)amino]ethyl}formamide",Clc1ccc(NC(NC=O)C(Cl)(Cl)Cl)cc1Cl,Clc1ccc(NC(NC=O)C(Cl)(Cl)Cl)cc1Cl,"InChI=1/C9H7Cl5N2O/c10-6-2-1-5(3-7(6)11)16-8(15-4-17)9(12,13)14/h1-4,8,16H,(H,15,17)",C9H7Cl5N2O,,,,,,REEFSLKDEDEWAO-UHFFFAOYSA-N,,,,,,,,,,,
100.040.065,244-088-0,20859-73-8,Aluminium phosphide,phosphinidynealuminum,[Al]#P,[Al]#P,InChI=1/Al.P/rAlP/c1-2,AlP,,,,,,PPNXXZIBFHTHDM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.355,237-805-3,14002-80-3,Methyl 3-hydroxypivalate,"methyl 3-hydroxy-2,2-dimethylpropanoate",COC(=O)C(C)(C)CO,COC(=O)C(C)(C)CO,"InChI=1/C6H12O3/c1-6(2,4-7)5(8)9-3/h7H,4H2,1-3H3",C6H12O3,,,,,,KJRFTNVYOAGTHK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.723,241-512-6,17508-17-7,"O-(2,4-dinitrophenyl)hydroxylamine","O-(2,4-dinitrophenyl)hydroxylamine",NOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H5N3O5/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,7H2",C6H5N3O5,,,,,,YLACRFYIUQZNIV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.733,241-523-6,17526-94-2,"N,N''-(4-methyl-m-phenylene)bis[N',N'-dimethylurea]","N',N'''-(4-methyl-1,3-phenylene)bis(1,1-dimethylurea)",CN(C)C(=O)Nc1ccc(C)c(NC(=O)N(C)C)c1,CN(C)C(=O)Nc1ccc(C)c(NC(=O)N(C)C)c1,"InChI=1/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)",C13H20N4O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12195,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.733,KDQTUCKOAOGTLT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.734,241-524-1,17527-07-0,2-(butylamino)ethanesulphonic acid,2-(butylamino)ethanesulfonic acid,CCCCNCCS(=O)(=O)O,CCCCNCCS(=O)(=O)O,"InChI=1/C6H15NO3S/c1-2-3-4-7-5-6-11(8,9)10/h7H,2-6H2,1H3,(H,8,9,10)",C6H15NO3S,,,,,,IPRSYPLQDZLFFB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.736,241-526-2,17527-28-5,"4,4'-(vinylene-1,2-diyl)biscyclohexene","4,4'-ethene-1,2-diyldicyclohexene",C1CC(CC=C1)C=CC2CCC=CC2,C1CC(CC=C1)C=CC2CCC=CC2,"InChI=1/C14H20/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-3,5,11-14H,4,6-10H2",C14H20,,,,,,JLAKTYIHPZLLKX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.737,241-527-8,17527-29-6,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C11H7F13O2/c1-2-5(25)26-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2",C11H7F13O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15839,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.737,VPKQPPJQTZJZDB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.741,241-532-5,17537-64-3,"1,3-diacetyl-1H-indole",1-(1-acetyl-1H-indol-3-yl)ethanone,CC(=O)c1cn(C(=O)C)c2ccccc12,CC(=O)c1cn(C(=O)C)c2ccccc12,"InChI=1/C12H11NO2/c1-8(14)11-7-13(9(2)15)12-6-4-3-5-10(11)12/h3-7H,1-2H3",C12H11NO2,,,,,,STUZJORZRZCLRI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.742,241-533-0,17540-75-9,"4-sec-butyl-2,6-di-tert-butylphenol","4-sec-butyl-2,6-di-tert-butylphenol",CCC(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCC(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3",C18H30O,,,,,,BFZOTKYPSZSDEV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.745,241-536-7,17557-23-2,"1,3-bis(2,3-epoxypropoxy)-2,2-dimethylpropane","2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(oxymethylene)]dioxirane",CC(C)(COCC1CO1)COCC2CO2,CC(C)(COCC1CO1)COCC2CO2,"InChI=1/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3",C11H20O4,,,,,,KUAUJXBLDYVELT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.978,237-391-4,13770-18-8,Copper diperchlorate,copper(2+) diperchlorate,[Cu+2].O=Cl(=O)(=O)[O-].[O-]Cl(=O)(=O)=O,[Cu+2].O=Cl(=O)(=O)[O-].[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Cu/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Cu,,,,,,YRNNKGFMTBWUGL-UHFFFAOYSA-L,,,,,,,,,,,
100.033.980,237-394-0,13770-86-0,Barium disulphamate,barium disulfamate,[Ba+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Ba+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Ba.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",Ba.2H3NO3S,,,,,,UPBWPRFVGWGSOM-UHFFFAOYSA-L,,,,,,,,,,,
100.033.985,237-399-8,13770-92-8,Calcium disulphamate,calcium disulfamate,[Ca+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Ca+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Ca.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",Ca.2H3NO3S,,,,,,RSIPQRDGPVEGLE-UHFFFAOYSA-L,,,,,,,,,,,
100.033.990,237-404-3,13775-06-9,Uranium trifluoride,-,[F-].[F-].[F-].[U+2],[F-].[F-].[F-].[U+2],InChI=1/3FH.U/h3*1H;/q;;;+2/p-3,F3U,,,,,,WZBTVLQFMSEBGW-UHFFFAOYSA-K,,,,,,,,,,,
100.035.506,239-073-0,14986-84-6,Hexasodium tetraphosphate,hexasodium tetraphosphate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/6Na.4H3O4P/c;;;;;;4*1-5(2,3)4/h;;;;;;4*(H3,1,2,3,4)/q6*+1;;;;/p-12",H6O13P4.6Na,,,,,,DKTKMCBVEOWDLJ-UHFFFAOYSA-B,,,,,,,,,,,
100.035.510,239-077-2,14987-70-3,Strontium didocosanoate,strontium didocosanoate,[Sr+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C22H44O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2",C22H44O2.1/2Sr,,,,,,AMDWOFASIZJYBK-UHFFFAOYSA-L,,,,,,,,,,,
100.035.511,239-078-8,14992-58-6,"2,6-di-tert-butylnaphthalene-1-sulphonic acid","2,6-di-tert-butylnaphthalene-1-sulfonic acid",CC(C)(C)c1ccc2c(c(ccc2c1)C(C)(C)C)S(=O)(=O)O,CC(C)(C)c1ccc2c(c(ccc2c1)C(C)(C)C)S(=O)(=O)O,"InChI=1/C18H24O3S/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21/h7-11H,1-6H3,(H,19,20,21)",C18H24O3S,,,,,,WBEBQCINXJDZCX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.700,243-686-9,20285-77-2,3-[[(1-hydroxy-2-naphthyl)carbonyl]amino]-4-(methyloctadecylamino)benzoic acid,3-[(1-hydroxy-2-naphthoyl)amino]-4-[methyl(octadecyl)amino]benzoic acid,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1NC(=O)c2ccc3ccccc3c2O)C(=O)O,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1NC(=O)c2ccc3ccccc3c2O)C(=O)O,"InChI=1/C37H52N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-39(2)34-26-24-30(37(42)43)28-33(34)38-36(41)32-25-23-29-21-18-19-22-31(29)35(32)40/h18-19,21-26,28,40H,3-17,20,27H2,1-2H3,(H,38,41)(H,42,43)",C37H52N2O4,,,,,,NZRIXKUVUIVTFM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.712,243-700-3,20292-68-6,Trimethyl[2-(1-oxobutoxy)ethyl]ammonium perchlorate,"2-(butyryloxy)-N,N,N-trimethylethanaminium perchlorate",CCCC(=O)OCC[N+](C)(C)C.[O-]Cl(=O)(=O)=O,CCCC(=O)OCC[N+](C)(C)C.[O-]Cl(=O)(=O)=O,"InChI=1/C9H20NO2.ClHO4/c1-5-6-9(11)12-8-7-10(2,3)4;2-1(3,4)5/h5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C9H20NO2.ClO4,,,,,,AOEDGUHNSUONPM-UHFFFAOYSA-M,,,,,,,,,,,
100.039.717,243-706-6,20294-36-4,1-methylindan-5-ol,1-methylindan-5-ol,CC1CCc2cc(O)ccc12,CC1CCc2cc(O)ccc12,"InChI=1/C10H12O/c1-7-2-3-8-6-9(11)4-5-10(7)8/h4-7,11H,2-3H2,1H3",C10H12O,,,,,,QQXFYUUHGOSPMF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.666,248-048-3,26848-40-8,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide","3-hydroxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",Oc1cc2ccccc2cc1C(=O)Nc3ccc4NC(=O)Nc4c3,Oc1cc2ccccc2cc1C(=O)Nc3ccc4NC(=O)Nc4c3,"InChI=1/C18H13N3O3/c22-16-8-11-4-2-1-3-10(11)7-13(16)17(23)19-12-5-6-14-15(9-12)21-18(24)20-14/h1-9,22H,(H,19,23)(H2,20,21,24)",C18H13N3O3,,,,,,QSDHDEWDUFYUCO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.672,248-055-1,26851-79-6,"4,5-dihydro-2-isobutylthiazole","2-isobutyl-4,5-dihydro-1,3-thiazole",CC(C)CC1=NCCS1,CC(C)CC1=NCCS1,"InChI=1/C7H13NS/c1-6(2)5-7-8-3-4-9-7/h6H,3-5H2,1-2H3",C7H13NS,,,,,,SMSJMGHWVFDVCU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.677,248-060-9,26855-41-4,Glycerol monolactate,2-hydroxy-1-(hydroxymethyl)ethyl 2-hydroxypropanoate,CC(O)C(=O)OC(CO)CO,CC(O)C(=O)OC(CO)CO,"InChI=1/C6H12O5/c1-4(9)6(10)11-5(2-7)3-8/h4-5,7-9H,2-3H2,1H3",C6H12O5,,,,,,FKDAUXUGSFYAOD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.678,248-061-4,26856-59-7,Trisodium naphthalenetrisulphonate,"trisodium naphthalene-1,2,3-trisulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2ccccc2c(c1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2ccccc2c(c1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O9S3.3Na/c11-20(12,13)8-5-6-3-1-2-4-7(6)9(21(14,15)16)10(8)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3",C10H8O9S3.3Na,,,,,,RHZZVWTVJHZKAH-UHFFFAOYSA-K,,,,,,,,,,,
100.043.679,248-063-5,26856-72-4,Decyl octyl trimethyladipate,"1-decyl 6-octyl 2,2,3-trimethylhexanedioate",CCCCCCCCCCOC(=O)C(C)(C)C(C)CCC(=O)OCCCCCCCC,CCCCCCCCCCOC(=O)C(C)(C)C(C)CCC(=O)OCCCCCCCC,"InChI=1/C27H52O4/c1-6-8-10-12-14-15-17-19-23-31-26(29)27(4,5)24(3)20-21-25(28)30-22-18-16-13-11-9-7-2/h24H,6-23H2,1-5H3",C27H52O4,,,,,,WXBVNDKOGLYVOB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.681,248-065-6,26857-99-8,(1-phenylethyl)phenol,2-(1-phenylethyl)phenol,CC(c1ccccc1)c2ccccc2O,CC(c1ccccc1)c2ccccc2O,"InChI=1/C14H14O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-11,15H,1H3",C14H14O,,,,,,WYZIVNCBUWDCOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.684,248-068-2,26863-15-0,"1-(2,4-dinitrophenyl)-4-phenylpyridinium chloride","1-(2,4-dinitrophenyl)-4-phenylpyridinium chloride",[Cl-].[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])[n+]2ccc(cc2)c3ccccc3,[Cl-].[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])[n+]2ccc(cc2)c3ccccc3,InChI=1/C17H12N3O4.ClH/c21-19(22)15-6-7-16(17(12-15)20(23)24)18-10-8-14(9-11-18)13-4-2-1-3-5-13;/h1-12H;1H/q+1;/p-1,C17H12N3O4.Cl,,,,,,RSXRFUAHTDVCQT-UHFFFAOYSA-M,,,,,,,,,,,
100.043.691,248-076-6,26868-19-9,"N,N-bis[(triethoxysilyl)methyl]allylamine","N,N-bis[(triethoxysilyl)methyl]prop-2-en-1-amine",CCO[Si](CN(CC=C)C[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CN(CC=C)C[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C17H39NO6Si2/c1-8-15-18(16-25(19-9-2,20-10-3)21-11-4)17-26(22-12-5,23-13-6)24-14-7/h8H,1,9-17H2,2-7H3",C17H39NO6Si2,,,,,,JKIXQFFUDBSKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.694,248-079-2,26872-84-4,3-cyclohexylaminopropionic acid,N-cyclohexyl-beta-alanine,OC(=O)CCNC1CCCCC1,OC(=O)CCNC1CCCCC1,"InChI=1/C9H17NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h8,10H,1-7H2,(H,11,12)",C9H17NO2,,,,,,ATFRXUJCSMOJPH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.704,248-090-2,26889-86-1,N-(2-aminoethyl)-3-hydroxynaphthalene-2-carboxamide,N-(2-aminoethyl)-3-hydroxy-2-naphthamide,NCCNC(=O)c1cc2ccccc2cc1O,NCCNC(=O)c1cc2ccccc2cc1O,"InChI=1/C13H14N2O2/c14-5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16/h1-4,7-8,16H,5-6,14H2,(H,15,17)",C13H14N2O2,,,,,,LKDKFADINSRVMX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.299,247-645-6,26388-45-4,"N-oleoylsarcosine, compound with 2,2'-(butylimino)diethanol (1:1)","N-methyl-N-oleoylglycine - 2,2'-(butylimino)diethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(=O)O.CCCCN(CCO)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.CCCCN(CCO)CCO,"InChI=1/C21H39NO3.C8H19NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;1-2-3-4-9(5-7-10)6-8-11/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);10-11H,2-8H2,1H3",C21H39NO3.C8H19NO2,,,,,,NFMSIGMHKZTQNC-GMFCBQQYSA-N,,,,,,,,,,,
100.043.300,247-646-1,26389-60-6,N-propylcyclopropanemethylamine,N-(cyclopropylmethyl)propan-1-amine,CCCNCC1CC1,CCCNCC1CC1,"InChI=1/C7H15N/c1-2-5-8-6-7-3-4-7/h7-8H,2-6H2,1H3",C7H15N,,,,,,MAVLRJDQJZJTQP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.155,246-387-1,24654-26-0,3-(2-thienyl)acrylamide,3-(2-thienyl)acrylamide,NC(=O)\\C=C\\c1cccs1,NC(=O)\C=C\c1cccs1,"InChI=1/C7H7NOS/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)",C7H7NOS,,,,,,AEKLLKXWNJVXKT-ONEGZZNKSA-N,,,,,,,,,,,
100.042.156,246-388-7,24660-23-9,"Decyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate","decyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dien-1-oate",CCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCC,"InChI=1/2C14H24O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;2*1-3-4-2;/h2*10-11H,2-9,12H2,1H3,(H,15,16);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC36H64O8Sn/c1-5-9-13-15-17-19-21-23-29-41-33(37)25-27-35(39)43-45(31-11-7-3,32-12-8-4)44-36(40)28-26-34(38)42-30-24-22-20-18-16-14-10-6-2/h25-28H,5-24,29-32H2,1-4H3",C36H64O8Sn,,,,,,WPMZBGWYNQCTRW-YFQJWWFYSA-L,,,,,,,,,,,
100.042.161,246-393-4,24674-75-7,2-sulphofumaric acid,2-sulfobut-2-enedioic acid,OC(=O)\\C=C(\\C(=O)O)/S(=O)(=O)O,OC(=O)\C=C(\C(=O)O)/S(=O)(=O)O,"InChI=1/C4H4O7S/c5-3(6)1-2(4(7)8)12(9,10)11/h1H,(H,5,6)(H,7,8)(H,9,10,11)",C4H4O7S,,,,,,YCELPWGPXSJYMB-UPHRSURJSA-N,,,,,,,,,,,
100.042.169,246-402-1,24683-00-9,2-isobutyl-3-methoxypyrazine,2-isobutyl-3-methoxypyrazine,COc1nccnc1CC(C)C,COc1nccnc1CC(C)C,"InChI=1/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3",C9H14N2O,,,,,,UXFSPRAGHGMRSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.173,246-406-3,24685-89-0,Tetrakis[2-(2-methoxyethoxy)ethyl] orthosilicate,tetrakis[2-(2-methoxyethoxy)ethyl] orthosilicate,COCCOCCO[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC,COCCOCCO[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC,"InChI=1/C20H44O12Si/c1-21-5-9-25-13-17-29-33(30-18-14-26-10-6-22-2,31-19-15-27-11-7-23-3)32-20-16-28-12-8-24-4/h5-20H2,1-4H3",C20H44O12Si,,,,,,AJWLYSOPXUSOQB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.483,245-647-1,23416-06-0,Trimethylsilyl 4-(triethoxysilyl)butyrate,trimethylsilyl 4-(triethoxysilyl)butanoate,CCO[Si](CCCC(=O)O[Si](C)(C)C)(OCC)OCC,CCO[Si](CCCC(=O)O[Si](C)(C)C)(OCC)OCC,"InChI=1/C13H30O5Si2/c1-7-15-20(16-8-2,17-9-3)12-10-11-13(14)18-19(4,5)6/h7-12H2,1-6H3",C13H30O5Si2,,,,,,MQVJMBRYTYHBNW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.488,245-652-9,23422-31-3,"Methyl 7-(5-acetamido-2-methoxyphenyl)-3-oxo-2,4,10-trioxa-7-azaundecan-11-oate","[(5-acetamido-2-methoxyphenyl)imino]diethane-2,1-diyl dimethyl biscarbonate",COC(=O)OCCN(CCOC(=O)OC)c1cc(NC(=O)C)ccc1OC,COC(=O)OCCN(CCOC(=O)OC)c1cc(NC(=O)C)ccc1OC,"InChI=1/C17H24N2O8/c1-12(20)18-13-5-6-15(23-2)14(11-13)19(7-9-26-16(21)24-3)8-10-27-17(22)25-4/h5-6,11H,7-10H2,1-4H3,(H,18,20)",C17H24N2O8,,,,,,FFJABVUGEBUVTI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.490,245-655-5,23422-38-0,"3,3'',5,5''-tetra-tert-butyl-5'-(3,5-di-tert-butyl-4-hydroxyphenyl]-2',4',6'-trimethyl[1,1':3',1''-terphenyl]-4,4'-diol","4,4'-[5-(3,5-di-tert-butylphenyl)-6-hydroxy-2,4,6-trimethylcyclohexa-1,4-diene-1,3-diyl]bis(2,6-di-tert-butylphenol)",CC1=C(c2cc(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(O)C(=C(C)C1c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C,CC1=C(c2cc(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(O)C(=C(C)C1c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C,"InChI=1/C51H74O3/c1-29-40(31-24-36(47(9,10)11)43(52)37(25-31)48(12,13)14)30(2)42(33-26-38(49(15,16)17)44(53)39(27-33)50(18,19)20)51(21,54)41(29)32-22-34(45(3,4)5)28-35(23-32)46(6,7)8/h22-28,40,52-54H,1-21H3",C51H72O3,,,,,,MRNDHKDDXFOYMT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.493,245-658-1,23427-51-2,"1,3-diallyl-2-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium iodide","1,3-diallyl-2-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium iodide",[I-].Cc1nn(c(C)c1\\C=C\\C2N(CC=C)c3nc4ccccc4nc3[NH+]2CC=C)c5ccccc5,[I-].Cc1nn(c(C)c1\C=C\C2N(CC=C)c3nc4ccccc4nc3[NH+]2CC=C)c5ccccc5,"InChI=1/C28H28N6.HI/c1-5-18-32-26(17-16-23-20(3)31-34(21(23)4)22-12-8-7-9-13-22)33(19-6-2)28-27(32)29-24-14-10-11-15-25(24)30-28;/h5-17,26H,1-2,18-19H2,3-4H3;1H",C28H27N6.I,,,,,,LLKSCIDUAHNQFJ-CMBBICFISA-N,,,,,,,,,,,
100.041.495,245-660-2,23433-07-0,"Nonane-1,3-diol","nonane-1,3-diol",CCCCCCC(O)CCO,CCCCCCC(O)CCO,"InChI=1/C9H20O2/c1-2-3-4-5-6-9(11)7-8-10/h9-11H,2-8H2,1H3",C9H20O2,,,,,,CGNJFUJNEYIYRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.496,245-661-8,23434-96-0,Methyl 4-chloro-3-phenylalaninate,methyl 4-chlorophenylalaninate,COC(=O)C(N)Cc1ccc(Cl)cc1,COC(=O)C(N)Cc1ccc(Cl)cc1,"InChI=1/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3",C10H12ClNO2,,,,,,FBHPVOLRIXZZMD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.125,247-454-8,26093-31-2,7-amino-4-methylcoumarin,7-amino-4-methyl-2H-chromen-2-one,CC1=CC(=O)Oc2cc(N)ccc12,CC1=CC(=O)Oc2cc(N)ccc12,"InChI=1/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3",C10H9NO2,,,,,,GLNDAGDHSLMOKX-UHFFFAOYSA-N,Positive,SM884001,[M+H]+,HCD35,176.0706:120.0808:117.0573,CASMI_2016,,,,,
100.043.127,247-456-9,26094-13-3,Butylammonium oleate,butan-1-aminium octadec-9-enoate,CCCC[NH3+].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],CCCC[NH3+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3",C18H34O2.C4H11N,,,,,,VSRHJGWIUVFJCJ-KVVVOXFISA-N,,,,,,,,,,,
100.040.068,244-091-7,20867-46-3,"6-methyl-20-oxopregna-5,16-dien-3-ß-yl acetate","6-methyl-20-oxopregna-5,16-dien-3-yl acetate",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC(=C2C1)C,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC(=C2C1)C,"InChI=1/C24H34O3/c1-14-12-18-20-7-6-19(15(2)25)23(20,4)11-9-21(18)24(5)10-8-17(13-22(14)24)27-16(3)26/h6,17-18,20-21H,7-13H2,1-5H3",C24H34O3,,,,,,FIFCOJHNNZMPQU-BQGSHDAWSA-N,,,,,,,,,,,
100.040.089,244-115-6,20927-98-4,2-(p-tolyloxy)aniline,2-(4-methylphenoxy)aniline,Cc1ccc(Oc2ccccc2N)cc1,Cc1ccc(Oc2ccccc2N)cc1,"InChI=1/C13H13NO/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9H,14H2,1H3",C13H13NO,,,,,,CBFBLDXMJDSGJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.090,244-116-1,20928-63-6,3-methoxy-2-pyridone,3-methoxypyridin-2(1H)-one,COC1=CC=CNC1=O,COC1=CC=CNC1=O,"InChI=1/C6H7NO2/c1-9-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)",C6H7NO2,,,,,,LKIMDXQLHFCXQF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.091,244-117-7,20936-31-6,"Salicylic acid, copper salt",copper(1+) salicylate,[Cu+].Oc1ccccc1C(=O)[O-],[Cu+].Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.Cu/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",C7H6O3.xCu,,,,,,JSKFTVJBDVPATO-UHFFFAOYSA-M,,,,,,,,,,,
100.040.092,244-118-2,20936-32-7,"Lead 2,4-dihydroxybenzoate","lead(4+) tetrakis(2,4-dihydroxybenzoate)",[Pb].O=C(O)C=1\\C=CC(\\O)=C/C=1O,[Pb].O=C(O)C=1\C=CC(\O)=C/C=1O,"InChI=1/C7H6O4.Pb.2H/c8-4-1-2-5(7(10)11)6(9)3-4;;;/h1-3,8-9H,(H,10,11);;;/q;+4;;/rC7H6O4.H2Pb/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,8-9H,(H,10,11);1H2/q;+4",C7H6O4.xPb,,,,,,WRRRQQWRLLOZGM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.099,244-126-6,20960-77-4,Dialuminium triselenite,dialuminium triselenite,[Al+3].[Al+3].[O-][Se](=O)[O-].[O-][Se](=O)[O-].[O-][Se](=O)[O-],[Al+3].[Al+3].[O-][Se](=O)[O-].[O-][Se](=O)[O-].[O-][Se](=O)[O-],"InChI=1/2Al.3H2O3Se/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6",Al.3/2H2O3Se,,,,,,YPORSSIFOTVJLV-UHFFFAOYSA-H,,,,,,,,,,,
100.039.729,243-719-7,20298-70-8,trans-2-tert-butylcyclohexyl acetate,2-tert-butylcyclohexyl acetate,CC(=O)O[C@H]1CCCC[C@@H]1C(C)(C)C,CC(=O)O[C@H]1CCCC[C@@H]1C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,,,,,,FINOAUDUYKVGDS-QWRGUYRKSA-N,,,,,,,,,,,
100.039.738,243-729-1,20318-28-9,(±)-2-amino-2-phenylbutyric acid,2-amino-2-phenylbutanoic acid,CCC(N)(C(=O)O)c1ccccc1,CCC(N)(C(=O)O)c1ccccc1,"InChI=1/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)",C10H13NO2,,,,,,UBXUDSPYIGPGGP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.743,243-734-9,20324-33-8,1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]propan-2-ol,1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]propan-2-ol,COCC(C)OCC(C)OCC(C)O,COCC(C)OCC(C)OCC(C)O,"InChI=1/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3",C10H22O4,,,,,,HPFDGTFXAVIVTH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.749,243-741-7,20334-43-4,Dimethyl ditelluride,dimethylditellane,C[Te][Te]C,C[Te][Te]C,InChI=1/C2H6Te2/c1-3-4-2/h1-2H3,C2H6Te2,,,,,,LCMDQKIQBKULEI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.377,245-531-0,23256-30-6,Nifurtimox,"3-methyl-N-[(5-nitro-2-furyl)methylene]thiomorpholin-4-amine 1,1-dioxide",O=S2(=O)CC(C)N(N=Cc1ccc(o1)[N+]([O-])=O)CC2,O=S2(=O)CC(C)N(N=Cc1ccc(o1)[N+]([O-])=O)CC2,"InChI=1/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3",C10H13N3O5S,,,,,,ARFHIAQFJWUCFH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.383,245-537-3,23258-43-7,1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride,1-{2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium chloride,[Cl-].[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3,[Cl-].[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3,"InChI=1/C22H21N6O2.ClH/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;/h3-13,16H,2,14-15H2,1H3;1H/q+1;/p-1",C22H21N6O2.Cl,,,,,,MFBCTBZUVCLGMM-UHFFFAOYSA-M,,,,,,,,,,,
100.041.385,245-539-4,23263-25-4,Cyclooctyl formate,cyclooctyl formate,O=COC1CCCCCCC1,O=COC1CCCCCCC1,"InChI=1/C9H16O2/c10-8-11-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2",C9H16O2,,,,,,LTFZBGBFPXQEAL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.716,248-103-1,26914-40-9,Ethanedithiol,"ethane-1,1-dithiol",CC(S)S,CC(S)S,"InChI=1/C2H6S2/c1-2(3)4/h2-4H,1H3",C2H6S2,,,,,,DHBXNPKRAUYBTH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.719,248-106-8,26918-40-1,"(2a,6a,11R*)-3-benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol hydrobromide","3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol hydrobromide",Br.CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc4ccccc4,Br.CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc4ccccc4,"InChI=1/C21H25NO.BrH/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16;/h3-9,13,15,20,23H,10-12,14H2,1-2H3;1H",C21H25NO.BrH,,,,,,IBYAEHGQHLPWIA-HZJSZROSSA-N,,,,,,,,,,,
100.035.512,239-079-3,14992-59-7,Sodium dibunate,"sodium 2,6-di-tert-butylnaphthalene-1-sulfonate",[Na+].CC(C)(C)c1ccc2c(c(ccc2c1)C(C)(C)C)S(=O)(=O)[O-],[Na+].CC(C)(C)c1ccc2c(c(ccc2c1)C(C)(C)C)S(=O)(=O)[O-],"InChI=1/C18H24O3S.Na/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1",C18H24O3S.Na,,,,,,XYEXKDCAGSHWSD-UHFFFAOYSA-M,,,,,,,,,,,
100.035.513,239-080-9,14995-38-1,Sodium p-ethylbenzenesulphonate,sodium 4-ethylbenzenesulfonate,[Na+].CCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C8H10O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h3-6H,2H2,1H3,(H,9,10,11);/q;+1/p-1",C8H10O3S.Na,,,,,,LLELGQVCQVOGMA-UHFFFAOYSA-M,,,,,,,,,,,
100.035.518,239-086-1,14998-37-9,Nickel acetate,nickel(2+) diacetate,[Ni+2].CC(=O)[O-].CC(=O)[O-],[Ni+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Ni/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.xNi,,,,,,AIYYMMQIMJOTBM-UHFFFAOYSA-L,,,,,,,,,,,
100.032.508,235-773-5,12688-64-1,"Bismuth, compound with nickel (1:1)",-,[Ni].[Bi],[Ni].[Bi],InChI=1/Bi.Ni/q+3;+2,Bi.Ni,,,,,,LGRDPUAPARTXMG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.514,235-779-8,12707-67-4,"4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-a-l-mannopyranosyl)-ß-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, phosphate, sodium salt",-,[Na+].COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4OP(=O)([O-])[O-])cc3O2,[Na+].COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4OP(=O)([O-])[O-])cc3O2,"InChI=1/C28H35O18P.Na/c1-10-21(32)23(34)25(36)27(42-10)41-9-19-22(33)24(35)26(46-47(37,38)39)28(45-19)43-12-6-14(30)20-15(31)8-17(44-18(20)7-12)11-3-4-16(40-2)13(29)5-11;/h3-7,10,17,19,21-30,32-36H,8-9H2,1-2H3,(H2,37,38,39);/q;+1/p-2",-,,,,,,UWRJZXLOYHSKGV-FRVHDUOWSA-L,,,,,,,,,,,
100.032.522,235-788-7,12737-02-9,Triacetoxystibine oxide,triacetyl antimonate,CC(=O)O[Sb](=O)(OC(=O)C)OC(=O)C,CC(=O)O[Sb](=O)(OC(=O)C)OC(=O)C,"InChI=1/3C2H4O2.O.Sb/c3*1-2(3)4;;/h3*1H3,(H,3,4);;/q;;;;+3/p-3/rC6H9O7Sb/c1-4(7)11-14(10,12-5(2)8)13-6(3)9/h1-3H3",C6H9O7Sb,,,,,,BZFJBDDWMPLHOA-UHFFFAOYSA-K,,,,,,,,,,,
100.032.544,235-814-7,12771-68-5,a-cyclopropyl-a-(4-methoxyphenyl)-5-pyrimidylmethanol,cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol,COc1ccc(cc1)C(O)(C2CC2)c3cncnc3,COc1ccc(cc1)C(O)(C2CC2)c3cncnc3,"InChI=1/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3",C15H16N2O2,,,,,,HUTDUHSNJYTCAR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.546,235-816-8,12772-47-3,"9-Octadecenoic acid (Z)-, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol","3-hydroxy-2,2-bis(hydroxymethyl)propyl octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C23H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h9-10,24-26H,2-8,11-21H2,1H3",-,,,,,,QQVGEJLUEOSDBB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.357,237-807-4,14003-34-0,3-methylquinoxalin-2-ol,3-methylquinoxalin-2-ol,Cc1nc2ccccc2nc1O,Cc1nc2ccccc2nc1O,"InChI=1/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)",C9H8N2O,,,,,,BMIMNRPAEPIYDN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.365,237-816-3,14007-53-5,"a,a-diphenylpiperidine-1-butyramide monohydrochloride","2,2-diphenyl-4-piperidin-1-ylbutanamide hydrochloride",Cl.NC(=O)C(CCN1CCCCC1)(c2ccccc2)c3ccccc3,Cl.NC(=O)C(CCN1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C21H26N2O.ClH/c22-20(24)21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13H,3,8-9,14-17H2,(H2,22,24);1H",C21H26N2O.ClH,,,,,,GNQVMBPLQIGMHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.368,237-820-5,14008-48-1,"2,2-bis(4-acetoxyphenyl)-2H-1,4-benzoxazin-3(4H)-one","(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2,2-diyl)di-4,1-phenylene diacetate",CC(=O)Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(OC(=O)C)cc4,CC(=O)Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(OC(=O)C)cc4,"InChI=1/C24H19NO6/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)23(28)25-21-5-3-4-6-22(21)31-24/h3-14H,1-2H3,(H,25,28)",C24H19NO6,,,,,,ZCBJDQBSLZREAA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.879,239-484-5,15467-20-6,Disodium hydrogen nitrilotriacetate,"hydrogen disodium 2,2',2''-nitrilotriacetate",[Na+].[Na+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[O-]C(=O)CN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C6H9NO6.2Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-3",C6H9NO6.2Na,,,,,,RHPXYIKALIRNFA-UHFFFAOYSA-K,,,,,,,,,,,
100.035.880,239-485-0,15467-21-7,"Malonic acid, ammonium salt",ammonium carboxyacetate,[NH4+].OC(=O)CC(=O)[O-],[NH4+].OC(=O)CC(=O)[O-],"InChI=1/C3H4O4.H3N/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);1H3",C3H4O4.xH3N,,,,,,HEYGYQDRKHISNT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.881,239-486-6,15467-25-1,2-methoxybutan-1-ol,2-methoxybutan-1-ol,CCC(CO)OC,CCC(CO)OC,"InChI=1/C5H12O2/c1-3-5(4-6)7-2/h5-6H,3-4H2,1-2H3",C5H12O2,,,,,,IPUDBCXGMBSQGH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.885,239-490-8,15470-55-0,"2,5-dichlorobenzenediazonium","2,5-dichlorobenzenediazonium",Clc1ccc(Cl)c(c1)[N+]#N,Clc1ccc(Cl)c(c1)[N+]#N,InChI=1/C6H3Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3H/q+1,C6H3Cl2N2,,,,,,MPHSORCNUGSJAA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.888,239-493-4,15474-63-2,Dysprosium triiodide,dysprosium triiodide,[I-].[I-].[I-].[Dy+3],[I-].[I-].[I-].[Dy+3],InChI=1/Dy.3HI/h;3*1H/q+3;;;/p-3,DyI3,,,,,,RZQFCZYXPRKMTP-UHFFFAOYSA-K,,,,,,,,,,,
100.043.303,247-649-8,26392-63-2,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]nonan-1-amide,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)nonanamide,CCCCCCCCC(=O)NCCNCCNCCNCCN,CCCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1/C17H39N5O/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18/h19-21H,2-16,18H2,1H3,(H,22,23)",C17H39N5O,,,,,,VKWZDXGYNMWHQU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.304,247-650-3,26394-04-7,"4-[(1,1-dimethylethyl)dioxy]-4-methylpentan-2-one",4-(tert-butylperoxy)-4-methylpentan-2-one,CC(=O)CC(C)(C)OOC(C)(C)C,CC(=O)CC(C)(C)OOC(C)(C)C,"InChI=1/C10H20O3/c1-8(11)7-10(5,6)13-12-9(2,3)4/h7H2,1-6H3",C10H20O3,,,,,,ODEURDFKGFSFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.311,247-658-7,26401-27-4,Isooctyl diphenyl phosphite,6-methylheptyl diphenyl phosphite,CC(C)CCCCCOP(Oc1ccccc1)Oc2ccccc2,CC(C)CCCCCOP(Oc1ccccc1)Oc2ccccc2,"InChI=1/C20H27O3P/c1-18(2)12-6-5-11-17-21-24(22-19-13-7-3-8-14-19)23-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3",C20H27O3P,,,,,,YEQHNTCMAVPEKP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.317,247-665-5,26401-86-5,"Triisooctyl 2,2',2''-[(octylstannylidyne)tris(thio)]triacetate","6-methylheptyl 14-methyl-4-({2-[(6-methylheptyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate",CCCCCCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,CCCCCCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,"InChI=1/3C10H20O2S.C8H17.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;1-3-5-7-8-6-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC38H74O6S3Sn/c1-8-9-10-11-12-22-29-48(45-30-36(39)42-26-19-13-16-23-33(2)3,46-31-37(40)43-27-20-14-17-24-34(4)5)47-32-38(41)44-28-21-15-18-25-35(6)7/h33-35H,8-32H2,1-7H3",C38H74O6S3Sn,,,,,,GNJDFZSTSXEBCH-UHFFFAOYSA-K,,,,,,,,,,,
100.043.319,247-667-6,26402-22-2,"Decanoic acid, monoester with glycerol","2,3-dihydroxypropyl decanoate",CCCCCCCCCC(=O)OCC(O)CO,CCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3",C13H26O4,,,,,,LKUNXBRZDFMZOK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.321,247-669-7,26402-31-3,"(R)-12-hydroxyoleic acid, monoester with propane-1,2-diol",2-hydroxypropyl 12-hydroxyoctadec-9-enoate,CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(C)O,CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(C)O,"InChI=1/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3",C21H40O4,,,,,,JZSMZIOJUHECHW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.323,247-671-8,26403-12-3,Isooctyl dihydrogen phosphate,6-methylheptyl dihydrogen phosphate,CC(C)CCCCCOP(=O)(O)O,CC(C)CCCCCOP(=O)(O)O,"InChI=1/C8H19O4P/c1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)",C8H19O4P,,,,,,RQINQJTUMGQYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.330,247-679-1,26410-85-5,7-methyl-3-methyleneoct-6-ene,2-methyl-6-methyleneoct-2-ene,CCC(=C)CCC=C(C)C,CCC(=C)CCC=C(C)C,"InChI=1/C10H18/c1-5-10(4)8-6-7-9(2)3/h7H,4-6,8H2,1-3H3",C10H15N,,,,,,URHLAZIFTACBJA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.334,247-683-3,26412-87-3,Sulphur trioxide--pyridine (1:1),oxosulfane dioxide - pyridine (1:1),O=S(=O)=O.c1ccncc1,O=S(=O)=O.c1ccncc1,InChI=1/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;,C5H5N.O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11865,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.334,UDYFLDICVHJSOY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.337,247-687-5,26424-27-1,"2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine","2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine",CCOCCOc1nc(Cl)nc(Cl)n1,CCOCCOc1nc(Cl)nc(Cl)n1,"InChI=1/C7H9Cl2N3O2/c1-2-13-3-4-14-7-11-5(8)10-6(9)12-7/h2-4H2,1H3",C7H9Cl2N3O2,,,,,,QCIAWGOXCYGJNS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.340,247-690-1,26443-03-8,"Estra-1,3,5(10)-triene-3,17ß-diol 17-(benzenepropionate)","3-hydroxyestra-1,3,5(10)-trien-17-yl 3-phenylpropanoate",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5,"InChI=1/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3",C27H32O3,,,,,,LQWSQQKTZLDGME-RYIFMDQWSA-N,,,,,,,,,,,
100.043.341,247-691-7,26444-19-9,1-(methylphenyl)ethan-1-one,1-(2-methylphenyl)ethanone,CC(=O)c1ccccc1C,CC(=O)c1ccccc1C,"InChI=1/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3",C9H10O,,,,,,YXWWHNCQZBVZPV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.053,244-074-4,20838-44-2,3-nitrophenyl ß-D-glucopyranoside,3-nitrophenyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2cccc(c2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cccc(c2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,VCCMGHVCRFMITI-RMPHRYRLSA-N,,,,,,,,,,,
100.040.063,244-085-4,20858-12-2,"2,2'-(azodiisopropylidene)bis[4,5-dihydro-1H-imidazole]","2,2'-(diazene-1,2-diyldipropane-2,2-diyl)bis(4,5-dihydro-1H-imidazole)",CC(C)(N=NC(C)(C)C=1NCCN=1)C=2NCCN=2,CC(C)(N=NC(C)(C)C=1NCCN=1)C=2NCCN=2,"InChI=1/C12H22N6/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h5-8H2,1-4H3,(H,13,14)(H,15,16)",C12H22N6,,,,,,LWMFAFLIWMPZSX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.066,244-089-6,20861-69-2,"Sulphuric acid, ammonium magnesium salt",-,[NH4+].[Mg+2].[O-]S(=O)(=O)[O-],[NH4+].[Mg+2].[O-]S(=O)(=O)[O-],"InChI=1/Mg.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4)/q+2;;/p-1",H3N.xH2O4S.xMg,,,,,,PWSPYJYNHXXPRD-UHFFFAOYSA-M,,,,,,,,,,,
100.043.129,247-459-5,26097-80-3,Cambendazole,"isopropyl [2-(1,3-thiazol-4-yl)-1H-benzimidazol-5-yl]carbamate",CC(C)OC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3,CC(C)OC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3,"InChI=1/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)",C14H14N4O2S,,,,,,QZWHWHNCPFEXLL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.133,247-463-7,26110-32-7,"N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxovaleramide","N-[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,"InChI=1/C33H47ClN2O4/c1-10-32(6,7)22-14-17-27(24(19-22)33(8,9)11-2)40-18-12-13-29(38)35-23-15-16-25(34)26(20-23)36-30(39)21-28(37)31(3,4)5/h14-17,19-20H,10-13,18,21H2,1-9H3,(H,35,38)(H,36,39)",C33H47ClN2O4,,,,,,ITHPSMPRJDBHIR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.135,247-465-8,26115-70-8,"1,3,5-tris[3-(trimethoxysilyl)propyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione",CO[Si](CCCN1C(=O)N(CCC[Si](OC)(OC)OC)C(=O)N(CCC[Si](OC)(OC)OC)C1=O)(OC)OC,CO[Si](CCCN1C(=O)N(CCC[Si](OC)(OC)OC)C(=O)N(CCC[Si](OC)(OC)OC)C1=O)(OC)OC,"InChI=1/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3",C21H45N3O12Si3,,,,,,QWOVEJBDMKHZQK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.136,247-466-3,26116-12-1,1-ethylpyrrolidin-2-ylmethylamine,1-pyrrolidin-2-ylpropan-1-amine,CCC(N)C1CCCN1,CCC(N)C1CCCN1,"InChI=1/C7H16N2/c1-2-6(8)7-4-3-5-9-7/h6-7,9H,2-5,8H2,1H3",C7H16N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5638,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.136,MQWGOZLHMBMYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.137,247-467-9,26116-13-2,1-(allyl)pyrrolidine-2-methylamine,1-(1-allylpyrrolidin-2-yl)methanamine,NCC1CCCN1CC=C,NCC1CCCN1CC=C,"InChI=1/C8H16N2/c1-2-5-10-6-3-4-8(10)7-9/h2,8H,1,3-7,9H2",C8H16N2,,,,,,HTGKTSVPJJNEMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.150,247-482-0,26156-84-3,1-(triphenylmethyl)pyridinium tetrafluoroborate,1-tritylpyridinium tetrafluoroborate,F[B-](F)(F)F.c1ccc(cc1)C(c2ccccc2)(c3ccccc3)[n+]4ccccc4,F[B-](F)(F)F.c1ccc(cc1)C(c2ccccc2)(c3ccccc3)[n+]4ccccc4,"InChI=1/C24H20N.BF4/c1-5-13-21(14-6-1)24(22-15-7-2-8-16-22,23-17-9-3-10-18-23)25-19-11-4-12-20-25;2-1(3,4)5/h1-20H;/q+1;-1",C24H20N.BF4,,,,,,PBUNNYDYPYZWML-UHFFFAOYSA-N,,,,,,,,,,,
100.044.932,249-441-2,29108-09-6,"Ethyl 2-amino-4,5-dihydro-3-furoate","ethyl 2-amino-4,5-dihydrofuran-3-carboxylate",CCOC(=O)C1=C(N)OCC1,CCOC(=O)C1=C(N)OCC1,"InChI=1/C7H11NO3/c1-2-10-7(9)5-3-4-11-6(5)8/h2-4,8H2,1H3",C7H11NO3,,,,,,IYBPUSLYOQNNEI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.935,249-444-9,29110-74-5,3-chloro-1H-indazole,3-chloro-2H-indazole,Clc1[nH]nc2ccccc12,Clc1[nH]nc2ccccc12,"InChI=1/C7H5ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)",C7H5ClN2,,,,,,QPHAGNNWDZSKJH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.940,249-450-1,29120-27-2,"3-[[p-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride","3-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium chloride",[Cl-].CCN(CC)c1ccc(cc1)N=N\\C2=N\\[NH+](C)CN2C,[Cl-].CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C,"InChI=1/C14H22N6.ClH/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;/h7-10H,5-6,11H2,1-4H3;1H",C14H21N6.Cl,,,,,,XCPWYKLPGAOCRR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.941,249-451-7,29122-68-7,Atenolol,2-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide,CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,"InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)",C14H22N2O3,,,,,,METKIMKYRPQLGS-UHFFFAOYSA-N,Positive,AU110601|AU110602|AU110603|AU110604|AU110605;EA016901|EA016902|EA016903|EA016904|EA016905|EA016906|EA016907|EA016908|EA016909|EA016910|EA016911|EA016912|EA016913|EA016914;TUE00081|TUE00082|TUE00083;UF407601|UF407602|UF407603|UF407604,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID20.4-30.6|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55,267.1709:74.0597:190.0866|267.1703:190.0857:225.123|145.0637:190.0853:178.0853|145.0638:146.067:134.0593|145.0636:117.0685:134.0599;225.1234:190.0863:208.0968|267.1704|267.1705:225.1229:190.086|267.1703:190.0862:145.0648|145.0647:74.06:190.086|145.0647:133.0648:74.06|145.0647:133.0648:107.0491|267.1703|267.1706:225.1234:190.0862|267.1704:190.0862:145.0648|145.0648:74.06:190.0862|145.0647:133.0647:74.06|145.0647:133.0647:107.0491|225.1234:190.0863:208.0968;267.1709:190.0864:225.1237|267.1709:74.0603:190.0865|56.0495:145.0648:74.0603;145.0649:190.0865:74.06|145.0649:133.0649:74.0601|190.0866:225.1238:208.0972|190.0865:225.1237:208.0972,Athens_Univ;Eawag;Env_Anal_Chem_U_Tuebingen;UFZ,,,,,
100.044.945,249-455-9,29125-25-5,(R)-azidophenylacetic acid,azido(phenyl)acetic acid,OC(=O)[C@H](N=[N+]=[N-])c1ccccc1,OC(=O)[C@H](N=[N+]=[N-])c1ccccc1,"InChI=1/C8H7N3O2/c9-11-10-7(8(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)",C8H7N3O2,,,,,,XUICXMXDTICQOZ-SSDOTTSWSA-N,,,,,,,,,,,
100.044.951,249-462-7,29130-29-8,Sucrose hexapalmitate,"1,3,4-tri-O-palmitoyl-beta-D-fructofuranosyl 2,3,4-tri-O-palmitoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C108H202O17/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-96(111)117-93-108(106(123-101(116)90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)103(95(92-110)124-108)120-98(113)87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)125-107-105(122-100(115)89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)104(121-99(114)88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)102(94(91-109)118-107)119-97(112)86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h94-95,102-107,109-110H,7-93H2,1-6H3",C108H202O17,,,,,,PKBVABNLYDODIU-XSSHIOHGSA-N,,,,,,,,,,,
100.044.952,249-463-2,29134-29-0,Pyrrolidine-1-acetonitrile,pyrrolidin-1-ylacetonitrile,N#CCN1CCCC1,N#CCN1CCCC1,"InChI=1/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-6H2",C6H10N2,,,,,,NPRYXVXVLCYBNS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.721,248-108-9,26920-62-7,(carboxylatomethyl)docosyldimethylammonium,[docosyl(dimethyl)ammonio]acetate,CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1/C26H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(2,3)25-26(28)29/h4-25H2,1-3H3",C26H53NO2,,,,,,SQXSZTQNKBBYPM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.725,248-113-6,26929-65-7,2'-azido-2'-deoxyuridine,2'-azido-2'-deoxyuridine,OC[C@H]1O[C@H](C(N=[N+]=[N-])[C@@H]1O)N2C=CC(=O)NC2=O,OC[C@H]1O[C@H](C(N=[N+]=[N-])[C@@H]1O)N2C=CC(=O)NC2=O,"InChI=1/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)",C9H11N5O5,,,,,,MRUKYOQQKHNMFI-RNMRRNDGSA-N,,,,,,,,,,,
100.043.730,248-118-3,26939-21-9,"5,6-dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine","4,4,6-trimethyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine",CC1CC(C)(C)N=C(O1)c2ccccc2,CC1CC(C)(C)N=C(O1)c2ccccc2,"InChI=1/C13H17NO/c1-10-9-13(2,3)14-12(15-10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3",C13H17NO,,,,,,SWWPMSJGZDRNAG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.736,248-125-1,26946-33-8,"4,4'-methylenebis(3-nitroaniline)","4,4'-methylenebis(3-nitroaniline)",Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-],Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C13H12N4O4/c14-10-3-1-8(12(6-10)16(18)19)5-9-2-4-11(15)7-13(9)17(20)21/h1-4,6-7H,5,14-15H2",C13H12N4O4,,,,,,KENYTAOVAUETRB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.739,248-128-8,26946-68-9,1-methoxy-1-methyl-4-(1-methylvinyl)cyclohexane,4-isopropenyl-1-methoxy-1-methylcyclohexane,COC1(C)CCC(CC1)C(=C)C,COC1(C)CCC(CC1)C(=C)C,"InChI=1/C11H20O/c1-9(2)10-5-7-11(3,12-4)8-6-10/h10H,1,5-8H2,2-4H3",C11H20O,,,,,,OLQOOKYEEAQGPU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.744,248-134-0,26952-23-8,Dichloropropene,"1,1-dichloroprop-1-ene",CC=C(Cl)Cl,CC=C(Cl)Cl,"InChI=1/C3H4Cl2/c1-2-3(4)5/h2H,1H3",C3H4Cl2,,,,,,ZAIDIVBQUMFXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.748,248-138-2,26954-25-6,(4-pyridylmethyl)lithium,(pyridin-4-ylmethyl)lithium,[Li]Cc1ccncc1,[Li]Cc1ccncc1,"InChI=1/C6H6N.Li/c1-6-2-4-7-5-3-6;/h2-5H,1H2;/rC6H6LiN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2",C6H6LiN,,,,,,FBQCBKPWGWEMLW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.749,248-139-8,26955-79-3,3-(2-phenylhydrazino)propiononitrile,3-(2-phenylhydrazino)propanenitrile,N#CCCNNc1ccccc1,N#CCCNNc1ccccc1,"InChI=1/C9H11N3/c10-7-4-8-11-12-9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,8H2",C9H11N3,,,,,,OVNYWIYYPXSYKH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.877,249-380-1,29036-02-0,Quaterphenyl,"1,1':3',1'':3'',1'''-quaterphenyl",c1ccc(cc1)c2cccc(c2)c3cccc(c3)c4ccccc4,c1ccc(cc1)c2cccc(c2)c3cccc(c3)c4ccccc4,InChI=1/C24H18/c1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18H,C24H18,,,,,,OWPJBAYCIXEHFA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.347,247-698-5,26446-27-5,Decenoic acid,dec-2-enoic acid,OC(=O)C=CCCCCCCC,OC(=O)C=CCCCCCCC,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)",C10H18O2,,,,,,WXBXVVIUZANZAU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.348,247-699-0,26446-31-1,"5-hydroxydecanoic acid, monoester with glycerol","2,3-dihydroxypropyl 5-hydroxydecanoate",CCCCCC(O)CCCC(=O)OCC(O)CO,CCCCCC(O)CCCC(=O)OCC(O)CO,"InChI=1/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3",C13H26O5,,,,,,ILJDYMFZBMWGGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.356,247-708-8,26446-73-1,Bis(methylphenyl) phenyl phosphate,bis(2-methylphenyl) phenyl phosphate,Cc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3C,Cc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3C,"InChI=1/C20H19O4P/c1-16-10-6-8-14-19(16)23-25(21,22-18-12-4-3-5-13-18)24-20-15-9-7-11-17(20)2/h3-15H,1-2H3",C20H19O4P,,,,,,XSRQYQRFQNGZKR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.364,247-717-7,26452-80-2,"2,4-dichloropyridine","2,4-dichloropyridine",Clc1ccnc(Cl)c1,Clc1ccnc(Cl)c1,InChI=1/C5H3Cl2N/c6-4-1-2-8-5(7)3-4/h1-3H,C5H3Cl2N,,,,,,TYPVHTOETJVYIV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.367,247-720-3,26464-06-2,2-ethylbutyryl bromide,2-ethylbutanoyl bromide,CCC(CC)C(=O)Br,CCC(CC)C(=O)Br,"InChI=1/C6H11BrO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3",C6H11BrO,,,,,,WQSCTLOEMUQLLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.371,247-725-0,26472-41-3,"(6R)-3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone","3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one",CC(C)CC(=O)C1=C(O)C(=C(O)[C@](O)(CC=C(C)C)C1=O)CC=C(C)C,CC(C)CC(=O)C1=C(O)C(=C(O)[C@](O)(CC=C(C)C)C1=O)CC=C(C)C,"InChI=1/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3",C21H30O5,,,,,,VMSLCPKYRPDHLN-OAQYLSRUSA-N,,,,,,,,,,,
100.043.373,247-727-1,26475-39-8,"2-methyl-1,4-oxathiane 4,4-dioxide","2-methyl-1,4-oxathiane 4,4-dioxide",CC1CS(=O)(=O)CCO1,CC1CS(=O)(=O)CCO1,"InChI=1/C5H10O3S/c1-5-4-9(6,7)3-2-8-5/h5H,2-4H2,1H3",C5H10O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17862,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.373,GCJJEHUKJYBORE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.374,247-728-7,26479-35-6,Potassium carbamoylcarbamate,potassium carbamoylcarbamate,[K+].NC(=O)NC(=O)[O-],[K+].NC(=O)NC(=O)[O-],"InChI=1/C2H4N2O3.K/c3-1(5)4-2(6)7;/h(H,6,7)(H3,3,4,5);/q;+1/p-1",C2H4N2O3.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11732,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.374,CLFBVDCVUBZWEH-UHFFFAOYSA-M,,,,,,,,,,,
100.046.006,250-623-9,31426-72-9,(chloromethyl)phenoxybenzene,1-(chloromethyl)-2-phenoxybenzene,ClCc1ccccc1Oc2ccccc2,ClCc1ccccc1Oc2ccccc2,"InChI=1/C13H11ClO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10H2",C13H11ClO,,,,,,VIGILLBRWRDXDA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.897,239-503-7,15481-48-8,Bis(benzoylthio)dibutylstannane,bis(benzoylsulfanyl)(dibutyl)stannane,CCCC[Sn](CCCC)(SC(=O)c1ccccc1)SC(=O)c2ccccc2,CCCC[Sn](CCCC)(SC(=O)c1ccccc1)SC(=O)c2ccccc2,"InChI=1/2C7H6OS.2C4H9.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H28O2S2Sn/c1-3-5-17-27(18-6-4-2,25-21(23)19-13-9-7-10-14-19)26-22(24)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3",C22H28O2S2Sn,,,,,,BRIMXLZSNXEUEL-UHFFFAOYSA-L,,,,,,,,,,,
100.035.898,239-504-2,15481-68-2,"Toluene-2,6-diamine monohydrochloride","2-methylbenzene-1,3-diamine hydrochloride",Cl.Cc1c(N)cccc1N,Cl.Cc1c(N)cccc1N,"InChI=1/C7H10N2.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,8-9H2,1H3;1H",C7H10N2.ClH,,,,,,NHLSZDPFKPSBEW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.887,236-191-4,13221-27-7,Tribuzone,"4-(4,4-dimethyl-3-oxopentyl)-1,2-diphenylpyrazolidine-3,5-dione",CC(C)(C)C(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,CC(C)(C)C(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,"InChI=1/C22H24N2O3/c1-22(2,3)19(25)15-14-18-20(26)23(16-10-6-4-7-11-16)24(21(18)27)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3",C22H24N2O3,,,,,,OFVFGKQCUDMLLP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.896,236-201-7,13230-04-1,"1,2-dimethyl-4-nitro-1H-imidazole","1,2-dimethyl-4-nitro-1H-imidazole",Cc1nc(cn1C)[N+](=O)[O-],Cc1nc(cn1C)[N+](=O)[O-],"InChI=1/C5H7N3O2/c1-4-6-5(8(9)10)3-7(4)2/h3H,1-2H3",C5H7N3O2,,,,,,YJJBSMOKINSQQF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.901,236-206-4,13234-79-2,"[1,1'-biphenyl]-2-carboxamide",biphenyl-2-carboxamide,NC(=O)c1ccccc1c2ccccc2,NC(=O)c1ccccc1c2ccccc2,"InChI=1/C13H11NO/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H2,14,15)",C13H11NO,,,,,,GTKIGDZXPDCIKR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.905,236-211-1,13236-02-7,"1,2,3-tris(2,3-epoxypropoxy)propane","2,2',2''-[propane-1,2,3-triyltris(oxymethylene)]trioxirane",C(OCC1CO1)C(COCC2CO2)OCC3CO3,C(OCC1CO1)C(COCC2CO2)OCC3CO3,"InChI=1/C12H20O6/c1(13-3-10-5-16-10)9(15-7-12-8-18-12)2-14-4-11-6-17-11/h9-12H,1-8H2",C12H20O6,,,,,,SYEWHONLFGZGLK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.911,236-217-4,13241-36-6,"1,4:3,6-dianhydro-D-threo-hexo-2,5-diulose","1,4:3,6-dianhydro-D-threo-hexo-2,5-diulose",O=C1CO[C@H]2[C@@H]1OCC2=O,O=C1CO[C@H]2[C@@H]1OCC2=O,"InChI=1/C6H6O4/c7-3-1-9-6-4(8)2-10-5(3)6/h5-6H,1-2H2",C6H6O4,,,,,,WDUVHBUZEIBPBR-PHDIDXHHSA-N,,,,,,,,,,,
100.032.927,236-235-2,13250-97-0,"4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid","4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid",Cc1ccc2c(O)c(cnc2n1)C(=O)O,Cc1ccc2c(O)c(cnc2n1)C(=O)O,"InChI=1/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)",C10H8N2O3,,,,,,WHJTTWIMQIGVJK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.529,239-098-7,15012-28-9,"5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-3-methylsalicylic acid","5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid",OC(=O)c1cc(cc(C)c1O)C(c2c(Cl)cccc2Cl)=C/3/C=C(/C)C(=O)\\C(=C\\3)C(O)=O,OC(=O)c1cc(cc(C)c1O)C(c2c(Cl)cccc2Cl)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O,"InChI=1/C23H16Cl2O6/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31/h3-9,26H,1-2H3,(H,28,29)(H,30,31)",C23H16Cl2O6,,,,,,IRQJHUBPRAPSRP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.532,239-101-1,15015-84-6,"1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol","bis[3-hydroxy-2,2-bis(hydroxymethyl)propyl] phthalate",OCC(CO)(CO)COC(=O)c1ccccc1C(=O)OCC(CO)(CO)CO,OCC(CO)(CO)COC(=O)c1ccccc1C(=O)OCC(CO)(CO)CO,"InChI=1/C18H26O10/c19-5-17(6-20,7-21)11-27-15(25)13-3-1-2-4-14(13)16(26)28-12-18(8-22,9-23)10-24/h1-4,19-24H,5-12H2",-,,,,,,MQRVKGYHPHKTKS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.537,239-106-9,15022-08-9,Diallyl carbonate,diallyl carbonate,C=CCOC(=O)OCC=C,C=CCOC(=O)OCC=C,"InChI=1/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2",C7H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12613,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.537,JKJWYKGYGWOAHT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.538,239-107-4,15028-16-7,2-aminoindan-1-ol,2-aminoindan-1-ol,NC1Cc2ccccc2C1O,NC1Cc2ccccc2C1O,"InChI=1/C9H11NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5,10H2",C9H11NO,,,,,,HRWCWYGWEVVDLT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.549,239-120-5,15049-85-1,(1-aminoethylidene)bisphosphonic acid,"(1-aminoethane-1,1-diyl)bis(phosphonic acid)",CC(N)(P(=O)(O)O)P(=O)(O)O,CC(N)(P(=O)(O)O)P(=O)(O)O,"InChI=1/C2H9NO6P2/c1-2(3,10(4,5)6)11(7,8)9/h3H2,1H3,(H2,4,5,6)(H2,7,8,9)",C2H9NO6P2,,,,,,GPCTYPSWRBUGFH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.551,239-122-6,15054-86-1,"[1,1,2,2-2H4]ethane-1,2-[2H2]diol",ethylene glycol,OCCO,OCCO,"InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2",C2D6O2,,,,,,LYCAIKOWRPUZTN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.556,239-127-3,15066-38-3,"1,3,5-triazine-2,4,6-triamine nitrate","1,3,5-triazine-2,4,6-triamine nitrate",Nc1nc(N)nc(N)n1.O[N+](=O)[O-],Nc1nc(N)nc(N)n1.O[N+](=O)[O-],"InChI=1/C3H6N6.HNO3/c4-1-7-2(5)9-3(6)8-1;2-1(3)4/h(H6,4,5,6,7,8,9);(H,2,3,4)",C3H6N6.xHNO3,,,,,,CSGNMMLYYZTWBB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.069,244-092-2,20868-98-8,"N,N'-diphenylformamidine monohydrochloride","N,N'-diphenylimidoformamide hydrochloride",Cl.N(=CNc1ccccc1)c2ccccc2,Cl.N(=CNc1ccccc1)c2ccccc2,"InChI=1/C13H12N2.ClH/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;/h1-11H,(H,14,15);1H",C13H12N2.ClH,,,,,,FIZCETDDYBLZFL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.071,244-094-3,20877-02-5,"o-mercapto-N,N-dimethylbenzamide","N,N-dimethyl-2-sulfanylbenzamide",CN(C)C(=O)c1ccccc1S,CN(C)C(=O)c1ccccc1S,"InChI=1/C9H11NOS/c1-10(2)9(11)7-5-3-4-6-8(7)12/h3-6,12H,1-2H3",C9H11NOS,,,,,,FXRWSGAWEVMMJW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.072,244-095-9,20880-64-2,2-O-ß-D-glucopyranosyl-a-D-glucose,2-O-beta-D-glucopyranosyl-alpha-D-glucopyranose,OC[C@H]1O[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2",C12H22O11,,,,,,HIWPGCMGAMJNRG-NCFXGAEVSA-N,,,,,,,,,,,
100.040.087,244-113-5,20913-25-1,Ethyl 2-methylcyclopropanecarboxylate,ethyl 2-methylcyclopropanecarboxylate,CCOC(=O)C1CC1C,CCOC(=O)C1CC1C,"InChI=1/C7H12O2/c1-3-9-7(8)6-4-5(6)2/h5-6H,3-4H2,1-2H3",C7H12O2,,,,,,JWYSLVLBKXDZCW-UHFFFAOYSA-N,,,,,,,,,,,
100.040.088,244-114-0,20925-27-3,4-amino-2-chlorobenzonitrile,4-amino-2-chlorobenzonitrile,Nc1ccc(C#N)c(Cl)c1,Nc1ccc(C#N)c(Cl)c1,"InChI=1/C7H5ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2",C7H5ClN2,,,,,,ZFBKYGFPUCUYIF-UHFFFAOYSA-N,,,,,,,,,,,
100.040.094,244-120-3,20940-37-8,"Diethylammonium (o,p-dichlorophenoxy)acetate","N-ethylethanaminium (2,4-dichlorophenoxy)acetate",CC[NH2+]CC.[O-]C(=O)COc1ccc(Cl)cc1Cl,CC[NH2+]CC.[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.C4H11N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-5-4-2/h1-3H,4H2,(H,11,12);5H,3-4H2,1-2H3",C8H6Cl2O3.C4H11N,,,,,,VQRSXYVRBBWVSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.096,244-122-4,20942-99-8,1-O-a-D-glucopyranosyl-D-mannitol,1-O-alpha-D-glucopyranosyl-D-mannitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2",C12H24O11,,,,,,SERLAGPUMNYUCK-DCUALPFSSA-N,,,,,,,,,,,
100.040.097,244-124-5,20955-11-7,Trisodium hexafluoroferrate(3-),trisodium hexafluoroferrate(3-),[Na+].[Na+].[Na+].F[Fe-3](F)(F)(F)(F)F,[Na+].[Na+].[Na+].F[Fe-3](F)(F)(F)(F)F,"InChI=1/6FH.Fe.3Na/h6*1H;;;;/q;;;;;;+6;3*+1/p-6/rF6Fe.3Na/c1-7(2,3,4,5)6;;;/q;3*+1",F6Fe.3Na,,,,,,NXXJJPQQCLIRPD-UHFFFAOYSA-H,,,,,,,,,,,
100.040.098,244-125-0,20958-86-5,a-methyl-2-(1-methylethyl)oxazolidine-3-ethyl acetate,"2-(2-isopropyl-1,3-oxazolidin-3-yl)-1-methylethyl acetate",CC(C)C1OCCN1CC(C)OC(=O)C,CC(C)C1OCCN1CC(C)OC(=O)C,"InChI=1/C11H21NO3/c1-8(2)11-12(5-6-14-11)7-9(3)15-10(4)13/h8-9,11H,5-7H2,1-4H3",C11H21NO3,,,,,,DUHSPQJOOYPANP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.100,244-127-1,20963-87-5,Disilver tartrate,disilver(1+) tartarate,[Ag+].[Ag+].OC(C(O)C(=O)[O-])C(=O)[O-],[Ag+].[Ag+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.2Ag/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C4H6O6.2Ag,,,,,,ZUVOYUDQAUHLLG-UHFFFAOYSA-L,,,,,,,,,,,
100.039.718,243-707-1,20294-37-5,3-methylindan-5-ol,3-methylindan-5-ol,CC1CCc2ccc(O)cc12,CC1CCc2ccc(O)cc12,"InChI=1/C10H12O/c1-7-2-3-8-4-5-9(11)6-10(7)8/h4-7,11H,2-3H2,1H3",C10H12O,,,,,,DGABSSAOKQLLFS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.721,243-710-8,20294-40-0,7-methylindan-5-ol,7-methylindan-5-ol,Cc1cc(O)cc2CCCc12,Cc1cc(O)cc2CCCc12,"InChI=1/C10H12O/c1-7-5-9(11)6-8-3-2-4-10(7)8/h5-6,11H,2-4H2,1H3",C10H12O,,,,,,IAQJQARSMHTBDV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.722,243-711-3,20294-76-2,"Octadecane-1,2-diol","octadecane-1,2-diol",CCCCCCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCCCCCC(O)CO,"InChI=1/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h18-20H,2-17H2,1H3",C18H38O2,,,,,,XWAMHGPDZOVVND-UHFFFAOYSA-N,,,,,,,,,,,
100.039.730,243-720-2,20298-71-9,trans-3-tert-butylcyclohexyl acetate,3-tert-butylcyclohexyl acetate,CC(=O)O[C@H]1CCC[C@@H](C1)C(C)(C)C,CC(=O)O[C@H]1CCC[C@@H](C1)C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,,,,,,NHUNEDUXIBOQML-QWRGUYRKSA-N,,,,,,,,,,,
100.039.734,243-724-4,20309-48-2,Dipentyl tartrate,dipentyl tartarate,CCCCCOC(=O)C(O)C(O)C(=O)OCCCCC,CCCCCOC(=O)C(O)C(O)C(=O)OCCCCC,"InChI=1/C14H26O6/c1-3-5-7-9-19-13(17)11(15)12(16)14(18)20-10-8-6-4-2/h11-12,15-16H,3-10H2,1-2H3",C14H26O6,,,,,,CHNUEARJLWZWOD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.735,243-726-5,20312-36-1,L-(-)-3-phenyllactic acid,2-hydroxy-3-phenylpropanoic acid,OC(Cc1ccccc1)C(=O)O,OC(Cc1ccccc1)C(=O)O,"InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",C9H10O3,,,,,,VOXXWSYKYCBWHO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.736,243-727-0,20313-52-4,"Carbonic acid, barium calcium salt",-,[Ca+2].[Ba+2].[O-]C(=O)[O-],[Ca+2].[Ba+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Ba.Ca/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+2/p-2",CH2O3.xBa.xCa,,,,,,CGZKVIWAJYSQHR-UHFFFAOYSA-L,,,,,,,,,,,
100.044.954,249-465-3,29134-69-8,Dodecylhydroxyoxostannane,dodecyl(oxo)stannanol,CCCCCCCCCCCC[Sn](=O)O,CCCCCCCCCCCC[Sn](=O)O,"InChI=1/C12H25.H2O.O.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;;;/h1,3-12H2,2H3;1H2;;/q;;;+1/p-1/rC12H26O2Sn/c1-2-3-4-5-6-7-8-9-10-11-12-15(13)14/h13H,2-12H2,1H3",C12H26O2Sn,,,,,,QXPASJXPZNHYCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.044.962,249-474-2,29152-71-4,Magnesium bis[didodecylbenzenesulphonate],"magnesium bis(2,3-didodecylbenzenesulfonate)",[Mg+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-],[Mg+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/2C30H54O3S.Mg/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+2/p-2",C30H54O3S.1/2Mg,,,,,,DLHVIJYCRRWGCN-UHFFFAOYSA-L,,,,,,,,,,,
100.044.963,249-475-8,29158-33-6,"Chloro-N,N-dimethylpropylamine hydrochloride","1-chloro-N,N-dimethylpropan-1-amine hydrochloride",Cl.CCC(Cl)N(C)C,Cl.CCC(Cl)N(C)C,"InChI=1/C5H12ClN.ClH/c1-4-5(6)7(2)3;/h5H,4H2,1-3H3;1H",C5H12ClN.ClH,,,,,,FCMCDVRJVMDKAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.965,249-477-9,29169-63-9,(R)-(formyloxy)phenylacetic acid,(formyloxy)(phenyl)acetic acid,OC(=O)[C@H](OC=O)c1ccccc1,OC(=O)[C@H](OC=O)c1ccccc1,"InChI=1/C9H8O4/c10-6-13-8(9(11)12)7-4-2-1-3-5-7/h1-6,8H,(H,11,12)",C9H8O4,,,,,,YFRDJVJDAXMXSQ-MRVPVSSYSA-N,,,,,,,,,,,
100.044.967,249-480-5,29170-08-9,"4-iodo-4'-nitro-1,1'-biphenyl",4-iodo-4'-nitrobiphenyl,[O-][N+](=O)c1ccc(cc1)c2ccc(I)cc2,[O-][N+](=O)c1ccc(cc1)c2ccc(I)cc2,InChI=1/C12H8INO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H,C12H8INO2,,,,,,YEDVRRNLTGKJSW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.968,249-481-0,29171-01-5,1-[2-(2-methoxyethoxy)ethoxy]propan-2-ol,1-[2-(2-methoxyethoxy)ethoxy]propan-2-ol,COCCOCCOCC(C)O,COCCOCCOCC(C)O,"InChI=1/C8H18O4/c1-8(9)7-12-6-5-11-4-3-10-2/h8-9H,3-7H2,1-2H3",C8H18O4,,,,,,MCBRLKGIOZXDOU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.971,249-484-7,29171-23-1,"3,7,11,15-tetramethylhexadec-1-yn-3-ol","3,7,11,15-tetramethylhexadec-1-yn-3-ol",CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C#C,CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C#C,"InChI=1/C20H38O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,17-19,21H,8-16H2,2-6H3",C20H38O,,,,,,MULUCORRSAVKOA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.065,250-688-3,31540-62-2,"4'-fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyrophenone hydrochloride","1-(4-fluorophenyl)-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one hydrochloride",Cl.Fc1ccc(cc1)C(=O)CCCN2CCc3[nH]c4ccc(F)cc4c3C2,Cl.Fc1ccc(cc1)C(=O)CCCN2CCc3[nH]c4ccc(F)cc4c3C2,"InChI=1/C21H20F2N2O.ClH/c22-15-5-3-14(4-6-15)21(26)2-1-10-25-11-9-20-18(13-25)17-12-16(23)7-8-19(17)24-20;/h3-8,12,24H,1-2,9-11,13H2;1H",C21H20F2N2O.ClH,,,,,,LGNFRLBPCVLGOB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.067,250-690-4,31545-26-3,4-chloro-3-nitrophenyl cyclopropyl ketone,(4-chloro-3-nitrophenyl)(cyclopropyl)methanone,[O-][N+](=O)c1cc(ccc1Cl)C(=O)C2CC2,[O-][N+](=O)c1cc(ccc1Cl)C(=O)C2CC2,"InChI=1/C10H8ClNO3/c11-8-4-3-7(5-9(8)12(14)15)10(13)6-1-2-6/h3-6H,1-2H2",C10H8ClNO3,,,,,,UISHBVQQPVMSCS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.076,250-700-7,31559-43-0,"5,12-dihydro-5,12-bis(phenylethynyl)naphthacene-5,12-diol","5,12-bis(phenylethynyl)-5,12-dihydrotetracene-5,12-diol",OC1(C#Cc2ccccc2)c3ccccc3C(O)(C#Cc4ccccc4)c5cc6ccccc6cc15,OC1(C#Cc2ccccc2)c3ccccc3C(O)(C#Cc4ccccc4)c5cc6ccccc6cc15,"InChI=1/C34H22O2/c35-33(21-19-25-11-3-1-4-12-25)29-17-9-10-18-30(29)34(36,22-20-26-13-5-2-6-14-26)32-24-28-16-8-7-15-27(28)23-31(32)33/h1-18,23-24,35-36H",C34H22O2,,,,,,YMKQDNKFEZLLTK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.078,250-702-8,31565-23-8,Di(tert-dodecyl) pentasulphide,"bis(1,1,2,3,3,4,4-heptamethylpentyl)pentasulfane",CC(C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C,CC(C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C,"InChI=1/C24H50S5/c1-17(21(9,10)19(3,4)5)23(13,14)25-27-29-28-26-24(15,16)18(2)22(11,12)20(6,7)8/h17-18H,1-16H3",C24H50S5,,,,,,DUSWAJDANSZRTP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.080,250-704-9,31565-38-5,Isodecyl stearate,8-methylnonyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C28H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h27H,4-26H2,1-3H3",C28H56O2,,,,,,BCNMHJYHRSTPJY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.083,250-708-0,31568-84-0,"8-hydroxyquinoline-5,7-disulphonic acid","8-hydroxyquinoline-5,7-disulfonic acid",Oc1c(cc(c2cccnc12)S(=O)(=O)O)S(=O)(=O)O,Oc1c(cc(c2cccnc12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C9H7NO7S2/c11-9-7(19(15,16)17)4-6(18(12,13)14)5-2-1-3-10-8(5)9/h1-4,11H,(H,12,13,14)(H,15,16,17)",C9H7NO7S2,,,,,,XSULSEYNDUGHLM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.086,250-711-7,31573-45-2,"14-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene","14-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene",Cc1cc2CCCCCCCCCCc(c1)n2,Cc1cc2CCCCCCCCCCc(c1)n2,"InChI=1/C16H25N/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(13-14)17-15/h12-13H,2-11H2,1H3",C16H25N,,,,,,OUKMHRRHBQEKDE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.009,250-627-0,31430-86-1,[(tetrachlorophthaloyl)bis(oxy)]bis(tributylstannane),"[(3,4,5,6-tetrachloro-1,2-phenylene)bis(carbonyloxy)]bis(tributylstannane)",CCCC[Sn](CCCC)(CCCC)OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C8H2Cl4O4.6C4H9.2Sn/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;6*1-3-4-2;;/h(H,13,14)(H,15,16);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC32H54Cl4O4Sn2/c1-7-13-19-41(20-14-8-2,21-15-9-3)39-31(37)25-26(28(34)30(36)29(35)27(25)33)32(38)40-42(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3",C32H54Cl4O4Sn2,,,,,,BQHRYDKHQXDUBU-UHFFFAOYSA-L,,,,,,,,,,,
100.046.010,250-628-6,31431-13-7,Cyclobutyl 4-fluorophenyl ketone,cyclobutyl(4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)C2CCC2,Fc1ccc(cc1)C(=O)C2CCC2,"InChI=1/C11H11FO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8H,1-3H2",C11H11FO,,,,,,KMWTUCKAZFNWNG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.012,250-630-7,31431-18-2,4-chloro-3-nitrophenyl 2-thienyl ketone,(4-chloro-3-nitrophenyl)(2-thienyl)methanone,[O-][N+](=O)c1cc(ccc1Cl)C(=O)c2cccs2,[O-][N+](=O)c1cc(ccc1Cl)C(=O)c2cccs2,InChI=1/C11H6ClNO3S/c12-8-4-3-7(6-9(8)13(15)16)11(14)10-2-1-5-17-10/h1-6H,C11H6ClNO3S,,,,,,OELFHUHQZUESIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.105,244-132-9,20971-06-6,1-deoxy-1-nitro-D-galactitol,1-deoxy-1-nitro-D-galactitol,OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C[N+](=O)[O-],OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C[N+](=O)[O-],"InChI=1/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2",C6H13NO7,,,,,,HOFCJTOUEGMYBT-KCDKBNATSA-N,,,,,,,,,,,
100.040.110,244-138-1,20985-13-1,Bis(4-hydroxybutyl) adipate,bis(4-hydroxybutyl) adipate,OCCCCOC(=O)CCCCC(=O)OCCCCO,OCCCCOC(=O)CCCCC(=O)OCCCCO,"InChI=1/C14H26O6/c15-9-3-5-11-19-13(17)7-1-2-8-14(18)20-12-6-4-10-16/h15-16H,1-12H2",C14H26O6,,,,,,MIPAMDMBINCYQD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.115,244-143-9,20996-62-7,1-(ethylthio)acetone,1-(ethylsulfanyl)acetone,CCSCC(=O)C,CCSCC(=O)C,"InChI=1/C5H10OS/c1-3-7-4-5(2)6/h3-4H2,1-2H3",C5H10OS,,,,,,ZKDXKBIOEVBFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.040.120,244-149-1,21017-50-5,1H-indole-1-propionamide,3-(1H-indol-1-yl)propanamide,NC(=O)CCn1ccc2ccccc12,NC(=O)CCn1ccc2ccccc12,"InChI=1/C11H12N2O/c12-11(14)6-8-13-7-5-9-3-1-2-4-10(9)13/h1-5,7H,6,8H2,(H2,12,14)",C11H12N2O,,,,,,VITGGSSBWKUFGR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.121,244-150-7,21018-38-2,1-methyl-3-(2-methylprop-2-enyl)-2-thiourea,1-methyl-3-(2-methylprop-2-en-1-yl)thiourea,CNC(=S)NCC(=C)C,CNC(=S)NCC(=C)C,"InChI=1/C6H12N2S/c1-5(2)4-8-6(9)7-3/h1,4H2,2-3H3,(H2,7,8,9)",C6H12N2S,,,,,,UUXUIXBWRPPCIS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.123,244-152-8,21025-18-3,3-ethyl-5-[1-methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]rhodanine,"3-ethyl-5-[1-methyl-2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",CC(C=C1SCCN1C)=C2SC(=S)N(CC)C2=O,CC(C=C1SCCN1C)=C2SC(=S)N(CC)C2=O,"InChI=1/C12H16N2OS3/c1-4-14-11(15)10(18-12(14)16)8(2)7-9-13(3)5-6-17-9/h7H,4-6H2,1-3H3",C12H16N2OS3,,,,,,LOQHVCVQRNEXDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.752,245-943-0,23940-36-5,"Pentasodium 2-(2-oxido-3,5-disulphonatophenoxy)-1,3,2-benzodioxastibole-4,6-disulphonate","pentasodium 2-(2-hydroxy-6-oxido-3,5-disulfonatophenoxy)-1,3,2-benzodioxastibole-4,6-disulfonate",Oc1c(O[Sb]2Oc3cc(cc(c3O2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(O[Na])c(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na],Oc1c(O[Sb]2Oc3cc(cc(c3O2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(O[Na])c(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C6H6O9S2.C6H6O8S2.5Na.Sb/c7-4-2(16(10,11)12)1-3(17(13,14)15)5(8)6(4)9;7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;;;;/h1,7-9H,(H,10,11,12)(H,13,14,15);1-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;;/q;;5*+1;+3/p-8/rC6H4Na2O9S2.C6H4Na2O8S2.Na.Sb/c7-16-18(12,13)2-1-3(19(14,15)17-8)5(10)6(11)4(2)9;7-15-17(11,12)3-1-4(9)6(10)5(2-3)18(13,14)16-8;;/h1,9-11H;1-2,9-10H;;/q;;+1;+3/p-4",C12H4O16S4Sb.5Na,,,,,,OHTHQYRXGHLVTE-UHFFFAOYSA-F,,,,,,,,,,,
100.041.758,245-949-3,23947-60-6,Ethirimol,5-butyl-2-(ethylamino)-6-methylpyrimidin-4-ol,CCCCc1c(C)nc(NCC)nc1O,CCCCc1c(C)nc(NCC)nc1O,"InChI=1/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)",C11H19N3O,,,,,,BBXXLROWFHWFQY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.759,245-950-9,23949-66-8,N-(2-ethoxyphenyl)-N'-(2-ethylphenyl)oxamide,N-(2-ethoxyphenyl)-N'-(2-ethylphenyl)ethanediamide,CCOc1ccccc1NC(=O)C(=O)Nc2ccccc2CC,CCOc1ccccc1NC(=O)C(=O)Nc2ccccc2CC,"InChI=1/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)",C18H20N2O3,Full,Joint,10+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12117,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.759,YIMHRDBSVCPJOV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.762,245-954-0,23959-95-7,"Dibutyl 2,2'-dithiodiacetate","dibutyl 2,2'-disulfanediyldiacetate",CCCCOC(=O)CSSCC(=O)OCCCC,CCCCOC(=O)CSSCC(=O)OCCCC,"InChI=1/C12H22O4S2/c1-3-5-7-15-11(13)9-17-18-10-12(14)16-8-6-4-2/h3-10H2,1-2H3",C12H22O4S2,,,,,,RUKRYLBUAIGWQI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.558,239-129-4,15074-54-1,o-chlorophenyl dichlorophosphate,2-chlorophenyl dichlorophosphate,Clc1ccccc1OP(=O)(Cl)Cl,Clc1ccccc1OP(=O)(Cl)Cl,"InChI=1/C6H4Cl3O2P/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H",C6H4Cl3O2P,,,,,,VLDPXPPHXDGHEW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.563,239-135-7,15082-28-7,"2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole","2-biphenyl-4-yl-5-(4-tert-butylphenyl)-1,3,4-oxadiazole",CC(C)(C)c1ccc(cc1)c2oc(nn2)c3ccc(cc3)c4ccccc4,CC(C)(C)c1ccc(cc1)c2oc(nn2)c3ccc(cc3)c4ccccc4,"InChI=1/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3",C24H22N2O,,,,,,XZCJVWCMJYNSQO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.564,239-136-2,15086-20-1,3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium p-toluenesulphonate,"3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,"InChI=1/C22H23N2S2.C7H8O3S/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C22H23N2S2.C7H7O3S,,,,,,PVRZIWDHDSZPFF-UHFFFAOYSA-M,,,,,,,,,,,
100.035.565,239-137-8,15086-27-8,Aluminium triphenolate,aluminum trisphenolate,[Al+3].[O-]c1ccccc1.[O-]c2ccccc2.[O-]c3ccccc3,[Al+3].[O-]c1ccccc1.[O-]c2ccccc2.[O-]c3ccccc3,"InChI=1/3C6H6O.Al/c3*7-6-4-2-1-3-5-6;/h3*1-5,7H;/q;;;+3/p-3",C6H6O.1/3Al,,,,,,OPSWAWSNPREEFQ-UHFFFAOYSA-K,,,,,,,,,,,
100.032.556,235-827-8,12789-46-7,"Phosphoric acid, pentyl ester",pentyl dihydrogen phosphate,CCCCCOP(=O)(O)O,CCCCCOP(=O)(O)O,"InChI=1/C5H13O4P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)",-,,,,,,NVTPMUHPCAUGCB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.562,235-834-6,13001-38-2,2-[2-[4-[2-(4-cyanophenyl)vinyl]phenyl]vinyl]benzonitrile,2-(2-{4-[2-(4-cyanophenyl)vinyl]phenyl}vinyl)benzonitrile,N#Cc1ccc(\\C=C\\c2ccc(\\C=C\\c3ccccc3C#N)cc2)cc1,N#Cc1ccc(\C=C\c2ccc(\C=C\c3ccccc3C#N)cc2)cc1,InChI=1/C24H16N2/c25-17-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-16-23-3-1-2-4-24(23)18-26/h1-16H,C24H16N2,,,,,,OQVQNTRMZCGXIB-ICYHVJMASA-N,,,,,,,,,,,
100.032.565,235-837-2,13001-46-2,Potassium O-isobutyl dithiocarbonate,potassium O-isobutyl dithiocarbonate,[K+].CC(C)COC(=S)[S-],[K+].CC(C)COC(=S)[S-],"InChI=1/C5H10OS2.K/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1",C5H10OS2.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12015,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.565,CRAXZMAICBMTCW-UHFFFAOYSA-M,,,,,,,,,,,
100.032.569,235-841-4,13003-12-8,"Butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P',P'-tetratridecylbis(phosphine)",4-[2-(4-{[bis(tridecyloxy)phosphino]oxy}-5-tert-butyl-2-methylphenyl)pentyl]-2-isopropyl-5-methylphenyl ditridecyl phosphite,CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)Oc1cc(C)c(CC(CCC)c2cc(c(OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC)cc2C)C(C)(C)C)cc1C(C)C,CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)Oc1cc(C)c(CC(CCC)c2cc(c(OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC)cc2C)C(C)(C)C)cc1C(C)C,"InChI=1/C78H144O6P2/c1-13-18-22-26-30-34-38-42-46-50-54-59-79-85(80-60-55-51-47-43-39-35-31-27-23-19-14-2)83-76-63-69(8)72(66-73(76)68(6)7)65-71(58-17-5)74-67-75(78(10,11)12)77(64-70(74)9)84-86(81-61-56-52-48-44-40-36-32-28-24-20-15-3)82-62-57-53-49-45-41-37-33-29-25-21-16-4/h63-64,66-68,71H,13-62,65H2,1-12H3",C78H144O6P2,,,,,,XVIOUABUVFGWBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.570,235-843-5,13004-06-3,trans-4-tert-butylcyclohexylmethanol,(4-tert-butylcyclohexyl)methanol,CC(C)(C)C1CCC(CO)CC1,CC(C)(C)C1CCC(CO)CC1,"InChI=1/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3",C11H22O,,,,,,GGWBQKOXLMPNMS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.574,235-847-7,13006-05-8,"Octadecyl hydrogen sulphate, magnesium salt",-,[Mg+2].CCCCCCCCCCCCCCCCCCOS(=O)(=O)O,[Mg+2].CCCCCCCCCCCCCCCCCCOS(=O)(=O)O,"InChI=1/C18H38O4S.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+2",C18H38O4S.1/2Mg,,,,,,MEAPBDMAMNGERY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.582,235-856-6,13010-07-6,N'-nitro-N-nitroso-N-propylguanidine,3-nitro-1-nitroso-1-propylguanidine,CCCN(N=O)C(=N)N[N+](=O)[O-],CCCN(N=O)C(=N)N[N+](=O)[O-],"InChI=1/C4H9N5O3/c1-2-3-8(7-10)4(5)6-9(11)12/h2-3H2,1H3,(H2,5,6)",C4H9N5O3,,,,,,PVVCHFOAZOVDRK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.583,235-857-1,13010-08-7,3-butyl-1-nitro-3-nitrosoguanidine,1-butyl-3-nitro-1-nitrosoguanidine,CCCCN(N=O)C(=N)N[N+](=O)[O-],CCCCN(N=O)C(=N)N[N+](=O)[O-],"InChI=1/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)",C5H11N5O3,,,,,,FJNCPBNCTRDXFB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.594,235-869-7,13014-24-9,"1,2-dichloro-4-(trichloromethyl)benzene","1,2-dichloro-4-(trichloromethyl)benzene",Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,"InChI=1/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H",C7H3Cl5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6170,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.594,ATYLRBXENHNROH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.595,235-870-2,13014-44-3,Zinc dilinoleate,"zinc dioctadeca-9,12-dienoate",[Zn+2].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Zn+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.1/2Zn,,,,,,ODNJVAVDJKOYFK-GRVYQHKQSA-L,,,,,,,,,,,
100.039.740,243-731-2,20322-78-5,"7,14-diethyl-7,14-dihydro-5-methylquinoxalino[2,3-b]phenazinium methyl sulphate","7,14-diethyl-5-methyl-7,14-dihydroquinoxalino[2,3-b]phenazin-5-ium methyl sulfate",CCN1C2=CC3=[N+](C)c4ccccc4N(CC)C3=CC2=Nc5ccccc15.COS(=O)(=O)[O-],CCN1C2=CC3=[N+](C)c4ccccc4N(CC)C3=CC2=Nc5ccccc15.COS(=O)(=O)[O-],"InChI=1/C23H23N4.CH4O4S/c1-4-26-18-11-7-6-10-16(18)24-17-14-23-22(15-21(17)26)25(3)19-12-8-9-13-20(19)27(23)5-2;1-5-6(2,3)4/h6-15H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C23H23N4.CH3O4S,,,,,,WHDHHXVWIDCOFP-UHFFFAOYSA-M,,,,,,,,,,,
100.039.741,243-732-8,20323-74-4,"Ethyl 4,5-dimethoxyanthranilate","ethyl 2-amino-4,5-dimethoxybenzoate",CCOC(=O)c1cc(OC)c(OC)cc1N,CCOC(=O)c1cc(OC)c(OC)cc1N,"InChI=1/C11H15NO4/c1-4-16-11(13)7-5-9(14-2)10(15-3)6-8(7)12/h5-6H,4,12H2,1-3H3",C11H15NO4,,,,,,SMICMEHDDWELMR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.744,243-735-4,20324-87-2,"Disodium 7,7'-(carbonyldiimino)bis(4-hydroxynaphthalene-2-sulphonate)",disodium 4-hydroxy-7-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}naphthalene-2-sulfonate,[Na+].[Na+].Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-],"InChI=1/C21H16N2O9S2.2Na/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32;;/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C21H16N2O9S2.2Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18197,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.744,MOUNHKKCIGVIDI-UHFFFAOYSA-L,,,,,,,,,,,
100.039.747,243-739-6,20332-10-9,Diphenylthioxostannane,diphenyl(thioxo)stannane,S=[Sn](c1ccccc1)c2ccccc2,S=[Sn](c1ccccc1)c2ccccc2,InChI=1/2C6H5.S.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H;;/rC12H10SSn/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,C12H10SSn,,,,,,CYXRBVIJBDYNQU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.376,245-530-5,23256-23-7,Sulfatroxazole,"4-amino-N-(4,5-dimethylisoxazol-3-yl)benzenesulfonamide",Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1C,Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1C,"InChI=1/C11H13N3O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",C11H13N3O3S,,,,,,DAUFGBIKKGOPJA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.389,245-544-1,23270-61-3,"N,N'-(iminodiethylene)diurea","N,N''-(iminodiethane-2,1-diyl)diurea",NC(=O)NCCNCCNC(=O)N,NC(=O)NCCNCCNC(=O)N,"InChI=1/C6H15N5O2/c7-5(12)10-3-1-9-2-4-11-6(8)13/h9H,1-4H2,(H3,7,10,12)(H3,8,11,13)",C6H15N5O2,,,,,,QZFZMOICRGKJNU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.710,248-097-0,26898-17-9,Dibenzyltoluene,"1,2-dibenzyl-3-methylbenzene",Cc1cccc(Cc2ccccc2)c1Cc3ccccc3,Cc1cccc(Cc2ccccc2)c1Cc3ccccc3,"InChI=1/C21H20/c1-17-9-8-14-20(15-18-10-4-2-5-11-18)21(17)16-19-12-6-3-7-13-19/h2-14H,15-16H2,1H3",C21H20,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2137,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.710,PKQYSCBUFZOAPE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.714,248-101-0,26910-17-8,Methyl-N-acetyl-N-L-alanyl-N-L-alanyl alaninate,methyl N-acetylalanylalanylalaninate,COC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C,COC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C,"InChI=1/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)",C12H21N3O5,,,,,,FKSWBCPVKXRWMC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.715,248-102-6,26914-17-0,Methyl-9H-fluorene,1-methyl-9H-fluorene,Cc1cccc2c1Cc3ccccc23,Cc1cccc2c1Cc3ccccc23,"InChI=1/C14H12/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-14(10)13/h2-8H,9H2,1H3",C14H12,,,,,,GKEUODMJRFDLJY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.723,248-111-5,26921-17-5,"(S)-3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole monomaleate","1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol but-2-enedioate (salt)",CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2.OC(=O)\\C=C/C(=O)O,CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2.OC(=O)\C=C/C(=O)O,"InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C13H24N4O3S.C4H4O4,,,,,,WLRMANUAADYWEA-NWASOUNVSA-N,,,,,,,,,,,
100.043.727,248-115-7,26931-40-8,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl}acetamide",Brc3cc(cc(c3N=Nc2cc(OC)c(NCC(O)COc1ccccc1)cc2NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc3cc(cc(c3N=Nc2cc(OC)c(NCC(O)COc1ccccc1)cc2NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C24H23BrN6O8/c1-14(32)27-19-10-21(26-12-16(33)13-39-17-6-4-3-5-7-17)23(38-2)11-20(19)28-29-24-18(25)8-15(30(34)35)9-22(24)31(36)37/h3-11,16,26,33H,12-13H2,1-2H3,(H,27,32)",C24H23BrN6O8,,,,,,QBLLNOJDLUTSGF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.731,248-119-9,26939-22-0,"2-benzyl-5,6-dihydro-4,4,6-trimethyl-4H-1,3-oxazine","2-benzyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine",CC1CC(C)(C)N=C(Cc2ccccc2)O1,CC1CC(C)(C)N=C(Cc2ccccc2)O1,"InChI=1/C14H19NO/c1-11-10-14(2,3)15-13(16-11)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3",C14H19NO,,,,,,KDQDSZHGNOYQGK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.737,248-126-7,26946-37-2,Barium phosphonate,barium phosphonate,[Ba+2].[O-]P(=O)[O-],[Ba+2].[O-]P(=O)[O-],"InChI=1/Ba.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3)/q+2;/p-2",Ba.H3O3P,,,,,,NLAYIUHDCPKDHX-UHFFFAOYSA-L,,,,,,,,,,,
100.046.090,250-715-9,31581-02-9,Cinoxolone,2-phenylvinyl 3-acetoxy-11-oxoolean-12-en-30-oate,CC(=O)O[C@H]3CC[C@]2(C)[C@H]4C(=O)/C=C1/[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]1(C)[C@]4(C)CC[C@H]2[C@]3(C)C)C(=O)OC=Cc6ccccc6,CC(=O)O[C@H]3CC[C@]2(C)[C@H]4C(=O)/C=C1/[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]1(C)[C@]4(C)CC[C@H]2[C@]3(C)C)C(=O)OC=Cc6ccccc6,"InChI=1/C40H54O5/c1-26(41)45-32-15-17-38(6)31(35(32,2)3)14-18-40(8)33(38)30(42)24-28-29-25-37(5,20-19-36(29,4)21-22-39(28,40)7)34(43)44-23-16-27-12-10-9-11-13-27/h9-13,16,23-24,29,31-33H,14-15,17-22,25H2,1-8H3",C41H56O5,,,,,,ALROYVOZZIJQCP-GRMBIOLSSA-N,,,,,,,,,,,
100.046.094,250-720-6,31598-52-4,"3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide","3-({2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide",CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl,CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl,"InChI=1/C36H41Cl3N4O4/c1-8-28(47-29-15-14-22(35(4,5)9-2)17-25(29)36(6,7)10-3)34(46)40-24-13-11-12-21(16-24)33(45)41-30-20-31(44)43(42-30)32-26(38)18-23(37)19-27(32)39/h11-19,28H,8-10,20H2,1-7H3,(H,40,46)(H,41,42,45)",C36H41Cl3N4O4,,,,,,YRDPBPLUAPBDQV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.098,250-724-8,31601-41-9,N-(4-methoxy-2-methylphenyl)acetamide,N-(4-methoxy-2-methylphenyl)acetamide,COc1ccc(NC(=O)C)c(C)c1,COc1ccc(NC(=O)C)c(C)c1,"InChI=1/C10H13NO2/c1-7-6-9(13-3)4-5-10(7)11-8(2)12/h4-6H,1-3H3,(H,11,12)",C10H13NO2,,,,,,AYRUKGQCGNNMLA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.101,250-727-4,31611-18-4,"2,2'-[[3-(dodecyloxy)propyl]imino]bisethanol","2,2'-{[3-(dodecyloxy)propyl]imino}diethanol",CCCCCCCCCCCCOCCCN(CCO)CCO,CCCCCCCCCCCCOCCCN(CCO)CCO,"InChI=1/C19H41NO3/c1-2-3-4-5-6-7-8-9-10-11-18-23-19-12-13-20(14-16-21)15-17-22/h21-22H,2-19H2,1H3",C19H41NO3,,,,,,RUDHWNPRHPXUGX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.105,250-732-1,31616-64-5,"Anthra[1,2-c]benzimidazo[2,1-i]benzo[lmn][2,8]phenanthroline-5,9,20(6H)-trione","anthra[1,2-c]benzimidazo[2,1-i]benzo[lmn][2,8]phenanthroline-5,9,20(6H)-trione",O=C1c2ccccc2C(=O)c3c4Nc5ccc6C(=O)n7c(nc8ccccc78)c9ccc(c4ccc13)c5c69,O=C1c2ccccc2C(=O)c3c4Nc5ccc6C(=O)n7c(nc8ccccc78)c9ccc(c4ccc13)c5c69,"InChI=1/C32H15N3O3/c36-29-17-5-1-2-6-18(17)30(37)27-19(29)11-10-16-15-9-12-20-25-21(13-14-23(26(15)25)33-28(16)27)32(38)35-24-8-4-3-7-22(24)34-31(20)35/h1-14,33H",C32H15N3O3,,,,,,NEFHTDXKDJVQPK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.108,250-735-8,31626-19-4,"1,5-diaminodibromo-4,8-dihydroxyanthraquinone","1,5-diamino-2,7-dibromo-4,8-dihydroxy-9,10-anthraquinone",Nc1cc(Br)c(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12,Nc1cc(Br)c(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12,"InChI=1/C14H8Br2N2O4/c15-3-2-6(19)8-9(11(3)18)14(22)10-7(13(8)21)5(17)1-4(16)12(10)20/h1-2,19-20H,17-18H2",C14H8Br2N2O4,,,,,,HGUBNCBSHOOOLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.826,246-024-7,24124-25-2,"(Z,Z)-tributyl(octadeca-9,12-dienoyloxy)stannane","tributyl(octadeca-9,12-dienoyloxy)stannane",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C18H32O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC30H58O2Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(31)32-33(27-10-6-2,28-11-7-3)29-12-8-4/h15-16,18-19H,5-14,17,20-29H2,1-4H3",C30H58O2Sn,,,,,,SFDCESVOFOYWTJ-YLLHCXABSA-M,,,,,,,,,,,
100.041.828,246-026-8,24133-73-1,4-(1-methyl-1-phenylethyl)phenyl acetate,4-(1-methyl-1-phenylethyl)phenyl acetate,CC(=O)Oc1ccc(cc1)C(C)(C)c2ccccc2,CC(=O)Oc1ccc(cc1)C(C)(C)c2ccccc2,"InChI=1/C17H18O2/c1-13(18)19-16-11-9-15(10-12-16)17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3",C17H18O2,,,,,,AWLNMOJGJLOVGR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.834,246-033-6,24143-52-0,"6a-tert-butyl-3,4,4aß,5,6,7,8,8aß-octahydronaphthalen-2(1H)-one",6-tert-butyloctahydronaphthalen-2(1H)-one,CC(C)(C)C1CCC2CC(=O)CCC2C1,CC(C)(C)C1CCC2CC(=O)CCC2C1,"InChI=1/C14H24O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h10-12H,4-9H2,1-3H3",C14H24O,,,,,,QQKVQRVPUCGGKW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.840,246-039-9,24155-29-1,"1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-imidazole mononitrate","1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone nitrate",O[N+](=O)[O-].Clc1ccc(C(=O)Cn2ccnc2)c(Cl)c1,O[N+](=O)[O-].Clc1ccc(C(=O)Cn2ccnc2)c(Cl)c1,"InChI=1/C11H8Cl2N2O.HNO3/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15;2-1(3)4/h1-5,7H,6H2;(H,2,3,4)",C11H8Cl2N2O.HNO3,,,,,,HRDAQQLDAVZFAS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.845,246-045-1,24157-81-1,"2,6-diisopropylnaphthalene","2,6-diisopropylnaphthalene",CC(C)c1ccc2cc(ccc2c1)C(C)C,CC(C)c1ccc2cc(ccc2c1)C(C)C,"InChI=1/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3",C16H20,,,,,,GWLLTEXUIOFAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.846,246-046-7,24158-88-1,"(2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@H]2N([C@H]1C(=O)O)C(=O)C2(Br)Br,CC1(C)S[C@H]2N([C@H]1C(=O)O)C(=O)C2(Br)Br,"InChI=1/C8H9Br2NO3S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7/h3,6H,1-2H3,(H,12,13)",C8H9Br2NO3S,,,,,,YLGIIVBDSLVWDR-BBIVZNJYSA-N,,,,,,,,,,,
100.041.847,246-047-2,24160-53-0,"2',4',5'-trimethoxycinnamic acid","3-(2,4,5-trimethoxyphenyl)acrylic acid",COc1cc(OC)c(C=CC(=O)O)cc1OC,COc1cc(OC)c(C=CC(=O)O)cc1OC,"InChI=1/C12H14O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3,(H,13,14)",C12H14O5,,,,,,XCEGAEUDHJEYRY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.766,245-958-2,23969-24-6,"3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-5-nitrobenzenesulphonic acid","3-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-hydroxy-5-nitrobenzenesulfonic acid",OS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)c(c3)[N+]([O-])=O,OS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)c(c3)[N+]([O-])=O,"InChI=1/C16H12ClN5O7S/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(30(27,28)29)7-13(15(12)23)22(25)26/h2-7,14,23H,1H3,(H,27,28,29)",C16H12ClN5O7S,,,,,,LKEVQWMUALHPNS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.399,245-555-1,23284-18-6,"3-[(6-O-a-L-arabinopyranosyl-ß-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside",O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,"InChI=1/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2",C26H28O16,,,,,,YNMFDPCLPIMRFD-KSPKLRDJSA-N,,,,,,,,,,,
100.041.405,245-561-4,23289-80-7,Potassium 2-(methylamino)ethanesulphonate,potassium 2-(methylamino)ethanesulfonate,[K+].CNCCS(=O)(=O)[O-],[K+].CNCCS(=O)(=O)[O-],"InChI=1/C3H9NO3S.K/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);/q;+1/p-1",C3H9NO3S.K,,,,,,GUAZCMSGQCEOKY-UHFFFAOYSA-M,,,,,,,,,,,
100.041.408,245-565-6,23297-50-9,Tetraisopentylammonium thiocyanate,"3-methyl-N,N,N-tris(3-methylbutyl)butan-1-aminium thiocyanate",CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C.[S-]C#N,CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C.[S-]C#N,"InChI=1/C20H44N.CHNS/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;2-1-3/h17-20H,9-16H2,1-8H3;3H/q+1;/p-1",C20H44N.CNS,,,,,,DWCVOTSGWLRENH-UHFFFAOYSA-M,,,,,,,,,,,
100.041.433,245-592-3,23336-75-6,"trans-4,5-dihydro-2,4,5-trimethyloxazole","2,4,5-trimethyl-4,5-dihydro-1,3-oxazole",C[C@@H]1OC(=N[C@H]1C)C,C[C@@H]1OC(=N[C@H]1C)C,"InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h4-5H,1-3H3",C6H11NO,,,,,,AOCHNXXMYIQWEH-WHFBIAKZSA-N,,,,,,,,,,,
100.041.434,245-593-9,23340-47-8,Holmium triiodate,holmium triiodate,[Ho+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Ho+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Ho.3HIO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+3;;;/p-3",HIO3.1/3Ho,,,,,,RZAVVMZWGQFLIE-UHFFFAOYSA-K,,,,,,,,,,,
100.044.879,249-382-2,29036-25-7,Methyl-1H-indene,1-methyl-1H-indene,CC1C=Cc2ccccc12,CC1C=Cc2ccccc12,"InChI=1/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-8H,1H3",C10H10,,,,,,LRTOHSLOFCWHRF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.881,249-384-3,29041-35-8,"[3S-(3a,3aa,4a,9a,9aa,9bß)]-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]-3H-furan-4-yl acetate","9-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl acetate",CC1C2C(CC(=C3C=CC(C)(O)C3C2OC1=O)C)OC(=O)C,CC1C2C(CC(=C3C=CC(C)(O)C3C2OC1=O)C)OC(=O)C,"InChI=1/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3",C17H22O5,,,,,,SYTRJRUSWMMZLV-UHFFFAOYSA-N,,,,,,,,,,,
100.044.882,249-385-9,29043-70-7,Dimethylbis(octadecyloxy)silane,dimethyl[bis(octadecyloxy)]silane,CCCCCCCCCCCCCCCCCCO[Si](C)(C)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCO[Si](C)(C)OCCCCCCCCCCCCCCCCCC,"InChI=1/C38H80O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41(3,4)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3",C38H80O2Si,,,,,,DWJGOISYMPVHNX-UHFFFAOYSA-N,,,,,,,,,,,
100.044.886,249-390-6,29053-94-9,(2-hydroxy-p-tolyl)urea,1-(2-hydroxy-4-methylphenyl)urea,Cc1ccc(NC(=O)N)c(O)c1,Cc1ccc(NC(=O)N)c(O)c1,"InChI=1/C8H10N2O2/c1-5-2-3-6(7(11)4-5)10-8(9)12/h2-4,11H,1H3,(H3,9,10,12)",C8H10N2O2,,,,,,RDWSVHLVSMKYOC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.887,249-391-1,29055-11-6,"3,3,11,11-tetramethoxy-2,12-dioxa-7-thia-3,11-disilatridecane","3,3,11,11-tetramethoxy-2,12-dioxa-7-thia-3,11-disilatridecane",CO[Si](CCCSCCC[Si](OC)(OC)OC)(OC)OC,CO[Si](CCCSCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C12H30O6SSi2/c1-13-20(14-2,15-3)11-7-9-19-10-8-12-21(16-4,17-5)18-6/h7-12H2,1-6H3",C12H30O6SSi2,,,,,,VEOWZIOSKBEQFI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.888,249-392-7,29056-06-2,Methyl 4-butoxyphenylacetate,methyl (4-butoxyphenyl)acetate,CCCCOc1ccc(CC(=O)OC)cc1,CCCCOc1ccc(CC(=O)OC)cc1,"InChI=1/C13H18O3/c1-3-4-9-16-12-7-5-11(6-8-12)10-13(14)15-2/h5-8H,3-4,9-10H2,1-2H3",C13H18O3,,,,,,IEPLOMKGNGXJAW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.889,249-393-2,29059-00-5,"Dinonanoic acid, diester with oxydi(propanol)","oxydipropane-3,1-diyl dinonanoate",CCCCCCCCC(=O)OCCCOCCCOC(=O)CCCCCCCC,CCCCCCCCC(=O)OCCCOCCCOC(=O)CCCCCCCC,"InChI=1/C24H46O5/c1-3-5-7-9-11-13-17-23(25)28-21-15-19-27-20-16-22-29-24(26)18-14-12-10-8-6-4-2/h3-22H2,1-2H3",C24H46O5,,,,,,QNQFILNCKAALEB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.891,249-395-3,29059-24-3,"Myristic acid, monoester with propane-1,2-diol",2-hydroxypropyl myristate,CCCCCCCCCCCCCC(=O)OCC(C)O,CCCCCCCCCCCCCC(=O)OCC(C)O,"InChI=1/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)20-15-16(2)18/h16,18H,3-15H2,1-2H3",C17H34O3,,,,,,VCNPGCHIKPSUSP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.598,235-873-9,13018-41-2,"Butane-1,4-diyl diacetoacetate","butane-1,4-diyl bis(3-oxobutanoate)",CC(=O)CC(=O)OCCCCOC(=O)CC(=O)C,CC(=O)CC(=O)OCCCCOC(=O)CC(=O)C,"InChI=1/C12H18O6/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h3-8H2,1-2H3",C12H18O6,,,,,,IHSFHIUGYHMYNR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.599,235-874-4,13018-79-6,"3,7-bis(dimethylamino)phenothiazin-5-ium perchlorate","3,7-bis(dimethylamino)phenothiazin-5-ium perchlorate",CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.[O-]Cl(=O)(=O)=O,CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.[O-]Cl(=O)(=O)=O,"InChI=1/C16H18N3S.ClHO4/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2-1(3,4)5/h5-10H,1-4H3;(H,2,3,4,5)/q+1;/p-1",C16H18N3S.ClO4,,,,,,SCRKMJIWOKYIGJ-UHFFFAOYSA-M,,,,,,,,,,,
100.035.915,239-523-6,15496-91-0,"Tetrahydro-4-hydroxy-5,5-dimethyl-1H-pyrimidin-2-one","4-hydroxy-5,5-dimethyltetrahydropyrimidin-2(1H)-one",CC1(C)CNC(=O)NC1O,CC1(C)CNC(=O)NC1O,"InChI=1/C6H12N2O2/c1-6(2)3-7-5(10)8-4(6)9/h4,9H,3H2,1-2H3,(H2,7,8,10)",C6H12N2O2,,,,,,GTNIOVHJFHUJMS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.919,239-527-8,15498-31-4,"1,4-dioxecane-5,10-dione","1,4-dioxecane-5,10-dione",O=C1CCCCC(=O)OCCO1,O=C1CCCCC(=O)OCCO1,InChI=1/C8H12O4/c9-7-3-1-2-4-8(10)12-6-5-11-7/h1-6H2,C8H12O4,,,,,,PAALZGOZEUHCET-UHFFFAOYSA-N,,,,,,,,,,,
100.035.935,239-545-6,15513-84-5,Vanadium diiodide,vanadium(2+) diiodide,[I-].[I-].[V+2],[I-].[I-].[V+2],InChI=1/2HI.V/h2*1H;/q;;+2/p-2,I2V,,,,,,OJFNQCZRUJTCOZ-UHFFFAOYSA-L,,,,,,,,,,,
100.035.936,239-546-1,15513-87-8,Lutetium triiodate,lutetium triiodate,[Lu+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Lu+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.Lu/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",HIO3.1/3Lu,,,,,,AWQUKXBZSLEACN-UHFFFAOYSA-K,,,,,,,,,,,
100.035.941,239-551-9,15518-84-0,Mobecarb,2-oxo-2-phenylethyl morpholin-4-ylacetate,O=C(CN1CCOCC1)OCC(=O)c2ccccc2,O=C(CN1CCOCC1)OCC(=O)c2ccccc2,"InChI=1/C14H17NO4/c16-13(12-4-2-1-3-5-12)11-19-14(17)10-15-6-8-18-9-7-15/h1-5H,6-11H2",C14H17NO4,,,,,,WIELTBTVQBNULW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.946,239-557-1,15520-11-3,Bis(4-tert-butylcyclohexyl) peroxydicarbonate,1-tert-butyl-4-{[({[(4-tert-butylcyclohexyl)oxy]carbonyl}peroxy)carbonyl]oxy}cyclohexane,CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC2CCC(CC2)C(C)(C)C,CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC2CCC(CC2)C(C)(C)C,"InChI=1/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3",C22H38O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13939,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.946,NOBYOEQUFMGXBP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.935,236-244-1,13254-34-7,"2,6-dimethylheptan-2-ol","2,6-dimethylheptan-2-ol",CC(C)CCCC(C)(C)O,CC(C)CCCC(C)(C)O,"InChI=1/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3",C9H20O,,,,,,HGDVHRITTGWMJK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.936,236-245-7,13255-26-0,Barium metasilicate,barium oxosilanediolate,[Ba+2].[O-][Si](=O)[O-],[Ba+2].[O-][Si](=O)[O-],InChI=1/Ba.O3Si/c;1-4(2)3/q+2;-2,Ba.H2O3Si,,,,,,HMOQPOVBDRFNIU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.949,236-259-3,13265-84-4,"1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol","1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol",OC[C@H]1OC=C[C@@H](O)[C@@H]1O,OC[C@H]1OC=C[C@@H](O)[C@@H]1O,"InChI=1/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2",C6H10O4,,,,,,YVECGMZCTULTIS-PBXRRBTRSA-N,,,,,,,,,,,
100.032.956,236-267-7,13269-86-8,"1,1'-oxybis[1,2,2-trifluoroethylene]","1',2-oxybis(trifluoroethene)",FC(=C(F)OC(=C(F)F)F)F,FC(=C(F)OC(=C(F)F)F)F,InChI=1/C4F6O/c5-1(6)3(9)11-4(10)2(7)8,C4F6O,,,,,,RRZIJNVZMJUGTK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.957,236-268-2,13270-28-5,Lithium acrylate,lithium acrylate,[Li+].[O-]C(=O)C=C,[Li+].[O-]C(=O)C=C,"InChI=1/C3H4O2.Li/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1",C3H4O2.Li,,,,,,XSAOIFHNXYIRGG-UHFFFAOYSA-M,,,,,,,,,,,
100.032.961,236-272-4,13274-42-5,"N-(3-aminopropyl)-N'-[3-[(3-aminopropyl)amino]propyl]propane-1,3-diamine","N-(3-aminopropyl)-N'-{3-[(3-aminopropyl)amino]propyl}propane-1,3-diamine",NCCCNCCCNCCCNCCCN,NCCCNCCCNCCCNCCCN,"InChI=1/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2",C12H31N5,,,,,,BELZJFWUNQWBES-UHFFFAOYSA-N,,,,,,,,,,,
100.032.965,236-277-1,13278-55-2,"3-methyl-1-(2,4-xylyl)thiourea","1-(2,4-dimethylphenyl)-3-methylthiourea",CNC(=S)Nc1ccc(C)cc1C,CNC(=S)Nc1ccc(C)cc1C,"InChI=1/C10H14N2S/c1-7-4-5-9(8(2)6-7)12-10(13)11-3/h4-6H,1-3H3,(H2,11,12,13)",C10H14N2S,,,,,,HZAOAIZJMMTSFN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.969,236-281-3,13279-87-3,"1,1,3-trichlorobutane","1,1,3-trichlorobutane",CC(Cl)CC(Cl)Cl,CC(Cl)CC(Cl)Cl,"InChI=1/C4H7Cl3/c1-3(5)2-4(6)7/h3-4H,2H2,1H3",C4H7Cl3,,,,,,GSBUVYHAANRCNO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.970,236-282-9,13280-00-7,3-chloropentan-2-one,3-chloropentan-2-one,CCC(Cl)C(=O)C,CCC(Cl)C(=O)C,"InChI=1/C5H9ClO/c1-3-5(6)4(2)7/h5H,3H2,1-2H3",C5H9ClO,,,,,,CKSIBFLEDRJUTN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.973,236-286-0,13280-76-7,"Arabinono-1,4-lactone","4-(1,2-dihydroxyethyl)-3-hydroxyoxetan-2-one (non-preferred name)",OCC(O)C1OC(=O)C1O,OCC(O)C1OC(=O)C1O,"InChI=1/C5H8O5/c6-1-2(7)4-3(8)5(9)10-4/h2-4,6-8H,1H2",C5H8O5,,,,,,GRYOZULSNCMRHE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.741,248-130-9,26952-13-6,Tetradecene,tetradec-1-ene,CCCCCCCCCCCCC=C,CCCCCCCCCCCCC=C,"InChI=1/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3",C14H28,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2036,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.741,HFDVRLIODXPAHB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.346,247-696-4,26446-12-8,Octadecenol,octadec-1-en-1-ol,CCCCCCCCCCCCCCCCC=CO,CCCCCCCCCCCCCCCCC=CO,"InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h17-19H,2-16H2,1H3",C18H36O,,,,,,JEGNXMUWVCVSSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.354,247-706-7,26446-38-8,Sucrose palmitate,3-O-palmitoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside,CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(32)38-26-23(34)20(17-30)39-28(26,18-31)40-27-25(36)24(35)22(33)19(16-29)37-27/h19-20,22-27,29-31,33-36H,2-18H2,1H3",C28H52O12,,,,,,ODCGMAWJSFNWJQ-ZRVLSRDKSA-N,,,,,,,,,,,
100.043.355,247-707-2,26446-39-9,"1,4-anhydro-D-glucitol distearate","1,4-anhydro-2,3-di-O-stearoyl-D-glucitol",CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@H]([C@H](O)CO)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@H]([C@H](O)CO)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)48-38-36-47-41(37(44)35-43)42(38)49-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44H,3-36H2,1-2H3",C42H80O7,,,,,,RISFDIQRSIKVAS-FOGKZQIUSA-N,,,,,,,,,,,
100.043.357,247-709-3,26447-09-6,Ammonium toluenesulphonate,ammonium 2-methylbenzenesulfonate,[NH4+].Cc1ccccc1S(=O)(=O)[O-],[NH4+].Cc1ccccc1S(=O)(=O)[O-],"InChI=1/C7H8O3S.H3N/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H3",C7H8O3S.H3N,,,,,,IHRIVUSMZMVANI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.359,247-711-4,26447-14-3,[(tolyloxy)methyl]oxirane,2-[(4-methylphenoxy)methyl]oxirane,Cc1ccc(OCC2CO2)cc1,Cc1ccc(OCC2CO2)cc1,"InChI=1/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3",C10H12O2,,,,,,CUFXMPWHOWYNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.369,247-722-4,26471-62-5,m-tolylidene diisocyanate,"2,4-diisocyanato-1-methylbenzene",Cc1ccc(cc1N=C=O)N=C=O,Cc1ccc(cc1N=C=O)N=C=O,"InChI=1/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3",C9H6N2O2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15073,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.369,DVKJHBMWWAPEIU-UHFFFAOYSA-N,Positive,SM832302,[M+H]+,HCD35,175.0504:147.0554:132.0445,CASMI_2016,,,,,
100.043.370,247-724-5,26472-00-4,Methylcyclopentadiene,"3a,4,7,7a-tetrahydro-1H-4,7-methanoindene",C=2CC3C1\\C=C/C(C1)C3C=2,C=2CC3C1\C=C/C(C1)C3C=2,"InChI=1/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2",C12H16,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1619,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.370,HECLRDQVFMWTQS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.372,247-726-6,26473-47-2,3-mercaptoisobutyric acid,2-methyl-3-sulfanylpropanoic acid,CC(CS)C(=O)O,CC(CS)C(=O)O,"InChI=1/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)",C4H8O2S,,,,,,MHRDCHHESNJQIS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.007,250-624-4,31430-15-6,Flubendazole,methyl [5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3,"InChI=1/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)",C16H12FN3O3,,,,,,CPEUVMUXAHMANV-UHFFFAOYSA-N,Positive/Negative,AU106301|AU106302|AU106303|AU106304|AU106305;EQ365901|EQ365902|EQ365903|EQ365904|EQ365905|EQ365906|EQ365907|EQ365908|EQ365909,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,314.0937:315.0969:316.0987|282.0669:314.0935:283.0696|282.0669:283.0699:123.0236|282.068:123.0239:283.0712|123.0237:282.0672:159.0425;314.0935:282.0671|282.0674:314.0935|282.0674:123.0241:314.0935|282.0674:123.0241:123.0351|123.0242:123.0351:282.0675|123.0352:123.0242:113.0398|123.0353:75.0229:113.0398|75.0229:123.0354:74.0151|75.0229:74.0151:77.026,Athens_Univ;Eawag,EQ365951|EQ365952|EQ365953|EQ365954|EQ365955|EQ365956|EQ365957|EQ365958|EQ365959,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,312.0796:280.0532:157.0278|280.0531:312.0795|280.0531|280.0531:157.0283:129.0334|280.0533:157.0284:133.0283|157.0284:133.0283:129.0335|129.0334:157.0283:115.0303|115.0304:129.0335:64.0194|64.0194:115.0303:88.0193,Eawag
100.046.011,250-629-1,31431-16-0,4-chloro-4'-fluoro-3-nitrobenzophenone,(4-chloro-3-nitrophenyl)(4-fluorophenyl)methanone,[O-][N+](=O)c1cc(ccc1Cl)C(=O)c2ccc(F)cc2,[O-][N+](=O)c1cc(ccc1Cl)C(=O)c2ccc(F)cc2,InChI=1/C13H7ClFNO3/c14-11-6-3-9(7-12(11)16(18)19)13(17)8-1-4-10(15)5-2-8/h1-7H,C13H7ClFNO3,,,,,,ZUMMQWOIAMKUOT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.014,250-632-8,31431-23-9,(4-amino-3-nitrophenyl) cyclopropyl ketone,(4-amino-3-nitrophenyl)(cyclopropyl)methanone,Nc1ccc(cc1[N+](=O)[O-])C(=O)C2CC2,Nc1ccc(cc1[N+](=O)[O-])C(=O)C2CC2,"InChI=1/C10H10N2O3/c11-8-4-3-7(5-9(8)12(14)15)10(13)6-1-2-6/h3-6H,1-2,11H2",C10H10N2O3,,,,,,CWGGORUVLAOGPD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.015,250-633-3,31431-26-2,4-amino-4'-fluoro-3-nitrobenzophenone,(4-amino-3-nitrophenyl)(4-fluorophenyl)methanone,Nc1ccc(cc1[N+](=O)[O-])C(=O)c2ccc(F)cc2,Nc1ccc(cc1[N+](=O)[O-])C(=O)c2ccc(F)cc2,"InChI=1/C13H9FN2O3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(7-9)16(18)19/h1-7H,15H2",C13H9FN2O3,,,,,,WGHPYSRSLNIWOT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.019,250-638-0,31434-97-6,"N-(2,3,4-trimethoxybenzylidene)aniline","N-(2,3,4-trimethoxybenzylidene)aniline",COc1c(OC)c(ccc1OC)C=Nc2ccccc2,COc1c(OC)c(ccc1OC)C=Nc2ccccc2,"InChI=1/C16H17NO3/c1-18-14-10-9-12(15(19-2)16(14)20-3)11-17-13-7-5-4-6-8-13/h4-11H,1-3H3",C16H17NO3,,,,,,OVYLXHZACDAJSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.020,250-639-6,31437-47-5,Cyclohexyl 5-oxoprolinate,cyclohexyl 5-oxoprolinate,O=C(OC1CCCCC1)C2CCC(=O)N2,O=C(OC1CCCCC1)C2CCC(=O)N2,"InChI=1/C11H17NO3/c13-10-7-6-9(12-10)11(14)15-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)",C11H17NO3,,,,,,RFWITBCYXRUGIY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.107,244-135-5,20980-22-7,2-(piperazin-1-yl)pyrimidine,2-piperazin-1-ylpyrimidine,C1CN(CCN1)c2ncccn2,C1CN(CCN1)c2ncccn2,"InChI=1/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2",C8H12N4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18266,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.107,MRBFGEHILMYPTF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.848,246-048-8,24162-63-8,"2,4-dibromostyrene","2,4-dibromo-1-vinylbenzene",Brc1ccc(C=C)c(Br)c1,Brc1ccc(C=C)c(Br)c1,"InChI=1/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2",C8H6Br2,,,,,,NTHFKMZKTASAMH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.866,246-068-7,24184-58-5,Ethyl L-asparaginate,ethyl L-asparaginate,CCOC(=O)[C@@H](N)CC(=O)N,CCOC(=O)[C@@H](N)CC(=O)N,"InChI=1/C6H12N2O3/c1-2-11-6(10)4(7)3-5(8)9/h4H,2-3,7H2,1H3,(H2,8,9)",C6H12N2O3,,,,,,ZTCCUHKCQDSJPK-BYPYZUCNSA-N,,,,,,,,,,,
100.041.869,246-071-3,24192-82-3,"Benzimidazo[1,2-c]quinazoline-6(5H)-thione","benzimidazo[1,2-c]quinazoline-6(5H)-thione",S=C1Nc2ccccc2c3nc4ccccc4n13,S=C1Nc2ccccc2c3nc4ccccc4n13,"InChI=1/C14H9N3S/c18-14-16-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)17(13)14/h1-8H,(H,16,18)",C14H9N3S,,,,,,VHPHESYILJQPFV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.870,246-072-9,24198-95-6,"Methyl (2E,6E)-(±)-9-(3,3-dimethyloxiranyl)-3,7-dimethylnona-2,6-dienoate","methyl 9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate",COC(=O)C=C(C)CCC=C(C)CCC1OC1(C)C,COC(=O)C=C(C)CCC=C(C)CCC1OC1(C)C,"InChI=1/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3",C16H26O3,,,,,,QVJMXSGZTCGLHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.871,246-073-4,24199-46-0,6-methyloct-5-en-2-one,6-methyloct-5-en-2-one,CC(=O)CCC=C(C)CC,CC(=O)CCC=C(C)CC,"InChI=1/C9H16O/c1-4-8(2)6-5-7-9(3)10/h6H,4-5,7H2,1-3H3",C9H16O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8003,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.871,SAXWRVSDVXCTEL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.509,247-876-2,26650-76-0,"2-(allyloxy)-4,6-dichloro-1,3,5-triazine","2-(allyloxy)-4,6-dichloro-1,3,5-triazine",Clc1nc(Cl)nc(OCC=C)n1,Clc1nc(Cl)nc(OCC=C)n1,"InChI=1/C6H5Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2H,1,3H2",C6H5Cl2N3O,,,,,,OSVAWQJNBLOEMP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.519,247-887-2,26657-96-5,Glycerol palmitate,2-hydroxy-1-(hydroxymethyl)ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OC(CO)CO,CCCCCCCCCCCCCCCC(=O)OC(CO)CO,"InChI=1/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3",C19H38O4,,,,,,BBNYCLAREVXOSG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.528,247-897-7,26675-46-7,Isoflurane,"1-chloro-2,2,2-trifluoroethyl difluoromethyl ether",FC(F)OC(Cl)C(F)(F)F,FC(F)OC(Cl)C(F)(F)F,"InChI=1/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H",C3H2ClF5O,,,,,,PIWKPBJCKXDKJR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.529,247-898-2,26677-12-3,"(2S-trans)-18-carboxy-20-(carboxymethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionic acid","3-(2-carboxyethyl)-5-(carboxymethyl)-12-ethyl-13-formyl-2,8,18-trimethyl-17-vinyl-2H,3H-porphine-7-carboxylic acid",CCC1=C(C=O)C2=NC1=CC3=NC(=C(CC(=O)O)C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)O)C(=C3C)C(=O)O,CCC1=C(C=O)C2=NC1=CC3=NC(=C(CC(=O)O)C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)O)C(=C3C)C(=O)O,"InChI=1/C34H32N4O7/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23/h6,11-14,16,20H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)",C34H34N4O7,,,,,,IMKYWGANIQREQB-JXFKEZNVSA-N,,,,,,,,,,,
100.044.973,249-486-8,29171-27-5,"7-(3,3,5,5-tetramethyl-1-vinylhexyl)quinolin-8-ol","7-(3,3,5,5-tetramethyl-1-vinylhexyl)quinolin-8-ol",CC(C)(C)CC(C)(C)CC(C=C)c1ccc2cccnc2c1O,CC(C)(C)CC(C)(C)CC(C=C)c1ccc2cccnc2c1O,"InChI=1/C21H29NO/c1-7-15(13-21(5,6)14-20(2,3)4)17-11-10-16-9-8-12-22-18(16)19(17)23/h7-12,15,23H,1,13-14H2,2-6H3",C21H29NO,,,,,,VOHHCUUIBNXCNP-UHFFFAOYSA-N,,,,,,,,,,,
100.044.978,249-492-0,29181-50-8,"Pyridine-2,4-dicarbonitrile","pyridine-2,4-dicarbonitrile",N#Cc1ccnc(c1)C#N,N#Cc1ccnc(c1)C#N,InChI=1/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H,C7H3N3,,,,,,HLAGQMFURMNTLW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.991,249-506-5,29205-96-7,"1-[(4-ethoxyphenyl)amino]-4-[(3,3,5-trimethylcyclohexyl)amino]anthraquinone","1-[(4-ethoxyphenyl)amino]-4-[(3,3,5-trimethylcyclohexyl)amino]-9,10-anthraquinone",CCOc1ccc(Nc2ccc(NC3CC(C)CC(C)(C)C3)c4C(=O)c5ccccc5C(=O)c24)cc1,CCOc1ccc(Nc2ccc(NC3CC(C)CC(C)(C)C3)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C31H34N2O3/c1-5-36-22-12-10-20(11-13-22)32-25-14-15-26(33-21-16-19(2)17-31(3,4)18-21)28-27(25)29(34)23-8-6-7-9-24(23)30(28)35/h6-15,19,21,32-33H,5,16-18H2,1-4H3",C31H34N2O3,,,,,,MJBSYEWZIOCLRR-UHFFFAOYSA-N,,,,,,,,,,,
100.044.992,249-507-0,29208-41-1,(R)-[3-[2-(allyloxy)phenoxy]-2-hydroxypropyl]isopropylammonium chloride,3-[2-(allyloxy)phenoxy]-2-hydroxy-N-isopropylpropan-1-aminium chloride,[Cl-].CC(C)[NH2+]C[C@@H](O)COc1ccccc1OCC=C,[Cl-].CC(C)[NH2+]C[C@@H](O)COc1ccccc1OCC=C,"InChI=1/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H",C15H23NO3.ClH,,,,,,COAJXCLTPGGDAJ-BTQNPOSSSA-N,,,,,,,,,,,
100.044.995,249-510-7,29210-76-2,"2,6-dimethyloct-7-yne-2,6-diol","2,6-dimethyloct-7-yne-2,6-diol",CC(C)(O)CCCC(C)(O)C#C,CC(C)(O)CCCC(C)(O)C#C,"InChI=1/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h1,11-12H,6-8H2,2-4H3",C10H18O2,,,,,,JJRIKWAHJMMDSF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.996,249-511-2,29210-77-3,"2,6-dimethyloct-7-ene-2,6-diol","2,6-dimethyloct-7-ene-2,6-diol",CC(C)(O)CCCC(C)(O)C=C,CC(C)(O)CCCC(C)(O)C=C,"InChI=1/C10H20O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5,11-12H,1,6-8H2,2-4H3",C10H20O2,,,,,,SRPFYGUVQUDURC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.893,249-397-4,29061-52-7,Bis[p-(dimethylamino)phenyl]methyl toluenesulphinate,bis[4-(dimethylamino)phenyl]methyl 2-methylbenzenesulfinate,CN(C)c1ccc(cc1)C(OS(=O)c2ccccc2C)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)C(OS(=O)c2ccccc2C)c3ccc(cc3)N(C)C,"InChI=1/C24H28N2O2S/c1-18-8-6-7-9-23(18)29(27)28-24(19-10-14-21(15-11-19)25(2)3)20-12-16-22(17-13-20)26(4)5/h6-17,24H,1-5H3",C24H28N2O2S,,,,,,KDHYJULAYMXQIW-UHFFFAOYSA-N,,,,,,,,,,,
100.044.898,249-404-0,29062-95-1,Dimethyldibenzofuran,"1,2-dimethyldibenzo[b,d]furan",Cc1ccc2oc3ccccc3c2c1C,Cc1ccc2oc3ccccc3c2c1C,"InChI=1/C14H12O/c1-9-7-8-13-14(10(9)2)11-5-3-4-6-12(11)15-13/h3-8H,1-2H3",C14H12O,,,,,,KZQLMLVBFLOKDS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.906,249-412-4,29075-98-7,"Diphosphoric acid, aluminium salt",aluminum hydrogen diphosphate,[Al+3].OP(=O)([O-])OP(=O)([O-])[O-],[Al+3].OP(=O)([O-])OP(=O)([O-])[O-],"InChI=1/Al.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+3;/p-3",Al.xH4O7P2,,,,,,ATEWGYWGKZTCRR-UHFFFAOYSA-K,,,,,,,,,,,
100.044.920,249-428-1,29095-38-3,"Antimony, compound with thallium (1:1)",-,[Tl].[Sb],[Tl].[Sb],InChI=1/Sb.Tl/q+3;+1,Sb.Tl,,,,,,YJLNSAVOCPBJTN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.922,249-430-2,29096-75-1,"5,6-dimethylbenzimidazol-2-ylamine","5,6-dimethyl-1H-benzimidazol-2-amine",Cc1cc2nc(N)[nH]c2cc1C,Cc1cc2nc(N)[nH]c2cc1C,"InChI=1/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)",C9H11N3,,,,,,YPFQISHSXCFZMU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.023,250-642-2,31464-38-7,3-[methyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile,3-(methyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(C)CCC#N)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(C)CCC#N)cc2,"InChI=1/C16H15N5O2/c1-20(12-2-11-17)15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21(22)23/h3-10H,2,12H2,1H3",C16H15N5O2,,,,,,GYBDRUAPPXYFAN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.026,250-645-9,31468-33-4,"Dihydro-3-methyl-2H-pyran-2,6(3H)-dione","3-methyldihydro-2H-pyran-2,6(3H)-dione",CC1CCC(=O)OC1=O,CC1CCC(=O)OC1=O,"InChI=1/C6H8O3/c1-4-2-3-5(7)9-6(4)8/h4H,2-3H2,1H3",C6H8O3,,,,,,YQLVIOYSGHEJDA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.029,250-649-0,31474-57-4,Isodecyl isooctyl adipate,6-methylheptyl 8-methylnonyl adipate,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,"InChI=1/C24H46O4/c1-21(2)15-9-6-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-10-16-22(3)4/h21-22H,5-20H2,1-4H3",C24H46O4,,,,,,IHXYISPZQCLSIX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.031,250-651-1,31478-84-9,Isopropyl 16-methylheptadecanoate,isopropyl 16-methylheptadecanoate,CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C,CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3",C21H42O2,,,,,,NEOZOXKVMDBOSG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.034,250-654-8,31482-56-1,3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile,3-(ethyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCC#N)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCC#N)cc2,"InChI=1/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3",C17H17N5O2,,,,,,ZSPPPAFDNHYXNW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.037,250-657-4,31499-72-6,"4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one","4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one",CC(=O)CCC1C(=CCCC1(C)C)C,CC(=O)CCC1C(=CCCC1(C)C)C,"InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3",C13H22O,,,,,,JHJCHCSUEGPIGE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.038,250-659-5,31499-97-5,"2-ethyl-N,N-dimethylbutyramide","2-ethyl-N,N-dimethylbutanamide",CCC(CC)C(=O)N(C)C,CCC(CC)C(=O)N(C)C,"InChI=1/C8H17NO/c1-5-7(6-2)8(10)9(3)4/h7H,5-6H2,1-4H3",C8H17NO,,,,,,GBSXCHLYXIBMCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.043,250-664-2,31505-26-7,6-O-methyl-a-D-galactopyranose,6-O-methyl-alpha-D-galactopyranose,COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3",C7H14O6,,,,,,QWJKEQVWXSYDJA-PZRMXXKTSA-N,,,,,,,,,,,
100.046.048,250-670-5,31511-30-5,"3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tris(2-hydroxyethyl) ether","5,7-bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside",CC1OC(OCC2OC(OC3=C(Oc4cc(OCCO)cc(OCCO)c4C3=O)c5ccc(OCCO)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O,CC1OC(OCC2OC(OC3=C(Oc4cc(OCCO)cc(OCCO)c4C3=O)c5ccc(OCCO)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-19(47-9-6-36)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(17(37)10-15)46-8-5-35/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3",C33H42O19,,,,,,OEKBFEWOXPXFSB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.051,250-673-1,31516-52-6,Amidinourea nitrate,1-carbamimidoylurea nitrate,NC(=N)NC(=O)N.O[N+](=O)[O-],NC(=N)NC(=O)N.O[N+](=O)[O-],"InChI=1/C2H6N4O.HNO3/c3-1(4)6-2(5)7;2-1(3)4/h(H6,3,4,5,6,7);(H,2,3,4)",C2H6N4O.xHNO3,,,,,,IZZMCZQTOXJJLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.055,250-677-3,31522-07-3,4-chloro-6-tetradecyl-m-cresol,4-chloro-5-methyl-2-tetradecylphenol,CCCCCCCCCCCCCCc1cc(Cl)c(C)cc1O,CCCCCCCCCCCCCCc1cc(Cl)c(C)cc1O,"InChI=1/C21H35ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-17-20(22)18(2)16-21(19)23/h16-17,23H,3-15H2,1-2H3",C21H35ClO,,,,,,CUNQNPBLNXQQNP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.974,236-287-6,13281-06-6,"N-(2-ethylhexyl)propane-1,3-diamine","N-(2-ethylhexyl)propane-1,3-diamine",CCCCC(CC)CNCCCN,CCCCC(CC)CNCCCN,"InChI=1/C11H26N2/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11,13H,3-10,12H2,1-2H3",C11H26N2,,,,,,XKXKBRKXBRLPNS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.975,236-288-1,13281-14-6,1-(m-phenoxyphenoxy)-3-(p-phenoxyphenoxy)benzene,1-phenoxy-3-[3-(4-phenoxyphenoxy)phenoxy]benzene,O(c1ccccc1)c2ccc(Oc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)cc2,O(c1ccccc1)c2ccc(Oc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)cc2,InChI=1/C30H22O4/c1-3-9-23(10-4-1)31-25-17-19-26(20-18-25)33-28-14-8-16-30(22-28)34-29-15-7-13-27(21-29)32-24-11-5-2-6-12-24/h1-22H,C30H22O4,,,,,,SVFHRCOHIYYWMR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.976,236-289-7,13282-14-9,"N,N'''-ethylenebisguanidine dihydrochloride","N,N'''-ethane-1,2-diyldiguanidine dihydrochloride",Cl.Cl.NC(=N)NCCNC(=N)N,Cl.Cl.NC(=N)NCCNC(=N)N,"InChI=1/C4H12N6.2ClH/c5-3(6)9-1-2-10-4(7)8;;/h1-2H2,(H4,5,6,9)(H4,7,8,10);2*1H",C4H12N6.2ClH,,,,,,MXMXYRFYLKFSCR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.977,236-290-2,13282-37-6,Zinc dibutyrate,zinc dibutanoate,[Zn+2].CCCC(=O)[O-].CCCC(=O)[O-],[Zn+2].CCCC(=O)[O-].CCCC(=O)[O-],"InChI=1/2C4H8O2.Zn/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2",C4H8O2.1/2Zn,,,,,,WDHVIZKSFZNHJB-UHFFFAOYSA-L,,,,,,,,,,,
100.035.573,239-146-7,15096-02-3,Ethyl 4-hydroxy-1-phenyl-5-(phenylazo)-1H-pyrazole-3-carboxylate,ethyl 4-hydroxy-1-phenyl-5-(phenyldiazenyl)-1H-pyrazole-3-carboxylate,CCOC(=O)c3nn(c1ccccc1)c(N=Nc2ccccc2)c3O,CCOC(=O)c3nn(c1ccccc1)c(N=Nc2ccccc2)c3O,"InChI=1/C18H16N4O3/c1-2-25-18(24)15-16(23)17(20-19-13-9-5-3-6-10-13)22(21-15)14-11-7-4-8-12-14/h3-12,23H,2H2,1H3",C18H16N4O3,,,,,,OWYTYDUDULWGQR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.582,239-156-1,15103-33-0,"4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ylmethyl acetate","(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)methyl acetate",CC(=O)OCC1CC2C(C=C1C)C2(C)C,CC(=O)OCC1CC2C(C=C1C)C2(C)C,"InChI=1/C13H20O2/c1-8-5-11-12(13(11,3)4)6-10(8)7-15-9(2)14/h5,10-12H,6-7H2,1-4H3",C13H20O2,,,,,,JKPMQDRFEWGKLS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.585,239-159-8,15110-74-4,"2,5-dinitrofluorene","2,5-dinitro-9H-fluorene",[O-][N+](=O)c1ccc2c(Cc3cccc(c23)[N+](=O)[O-])c1,[O-][N+](=O)c1ccc2c(Cc3cccc(c23)[N+](=O)[O-])c1,"InChI=1/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2",C13H8N2O4,,,,,,XHAHNUAISBGLEX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.588,239-162-4,15111-96-3,4-(1-methylvinyl)cyclohex-1-ene-1-methyl acetate,(4-isopropenylcyclohex-1-en-1-yl)methyl acetate,CC(=O)OCC1=CCC(CC1)C(=C)C,CC(=O)OCC1=CCC(CC1)C(=C)C,"InChI=1/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3",C12H18O2,,,,,,WTXBCFKGCNWPLS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.591,239-166-6,15113-00-5,2-methoxy-4-methylquinoline,2-methoxy-4-methylquinoline,COc1cc(C)c2ccccc2n1,COc1cc(C)c2ccccc2n1,"InChI=1/C11H11NO/c1-8-7-11(13-2)12-10-6-4-3-5-9(8)10/h3-7H,1-2H3",C11H11NO,,,,,,QILUVAHCFWCERZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.592,239-167-1,15114-15-5,"4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxyanthraquinone","4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy-9,10-anthraquinone",CCOc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,CCOc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,"InChI=1/C22H18N2O5/c1-2-29-11-5-3-10(4-6-11)12-9-14(24)17-19(20(12)26)22(28)16-13(23)7-8-15(25)18(16)21(17)27/h3-9,25-26H,2,23-24H2,1H3",C22H18N2O5,,,,,,YYBSEGBOVVQCAU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.593,239-168-7,15114-35-9,"1-bromo-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1-bromo-1,3,5-triazinane-2,4,6-trione",BrN1C(=O)NC(=O)NC1=O,BrN1C(=O)NC(=O)NC1=O,"InChI=1/C3H2BrN3O3/c4-7-2(9)5-1(8)6-3(7)10/h(H2,5,6,8,9,10)",C3H2BrN3O3,,,,,,MWSLLEWOGABAFW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.595,239-170-8,15119-66-1,"3,3-diethylpentane-2,4-dione","3,3-diethylpentane-2,4-dione",CCC(CC)(C(=O)C)C(=O)C,CCC(CC)(C(=O)C)C(=O)C,"InChI=1/C9H16O2/c1-5-9(6-2,7(3)10)8(4)11/h5-6H2,1-4H3",C9H16O2,,,,,,AVNABQMXUUJVKY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.598,239-173-4,15120-50-0,Pentamethylantimony,pentamethylstiborane,C[Sb](C)(C)(C)C,C[Sb](C)(C)(C)C,"InChI=1/5CH3.Sb/h5*1H3;/rC5H15Sb/c1-6(2,3,4)5/h1-5H3",C5H15Sb,,,,,,BBEVMUOEYNOTTE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.599,239-175-5,15121-11-6,"4-(chloromethyl)-1,3,2-dioxathiolane 2-oxide","4-(chloromethyl)-1,3,2-dioxathiolane 2-oxide",ClCC1COS(=O)O1,ClCC1COS(=O)O1,"InChI=1/C3H5ClO3S/c4-1-3-2-6-8(5)7-3/h3H,1-2H2",C3H5ClO3S,,,,,,RGDJXHLNJJZNGO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.601,239-177-6,15121-78-5,"2,3-dihydroxy-2-phenylpropiophenone","2,3-dihydroxy-1,2-diphenylpropan-1-one",OCC(O)(C(=O)c1ccccc1)c2ccccc2,OCC(O)(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C15H14O3/c16-11-15(18,13-9-5-2-6-10-13)14(17)12-7-3-1-4-8-12/h1-10,16,18H,11H2",C15H14O3,,,,,,AOGNACZDZNOTSN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.602,239-178-1,15121-84-3,2-nitrophenethyl alcohol,2-(2-nitrophenyl)ethanol,OCCc1ccccc1[N+](=O)[O-],OCCc1ccccc1[N+](=O)[O-],"InChI=1/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2",C8H9NO3,,,,,,SLRIOXRBAPBGEI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.605,239-181-8,15123-69-0,Copper selenate,copper(2+) selenate,[Cu+2].[O-][Se]([O-])(=O)=O,[Cu+2].[O-][Se]([O-])(=O)=O,"InChI=1/Cu.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Cu.H2O4Se,,,,,,RGZGHMSJVAQDQO-UHFFFAOYSA-L,,,,,,,,,,,
100.040.108,244-136-0,20981-12-8,N-[4-(benzoylamino)phenyl]-3-hydroxy-4-[[2-methoxy-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]azo]naphthalene-2-carboxamide,N-[4-(benzoylamino)phenyl]-3-hydroxy-4-[(2-methoxy-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)diazenyl]-2-naphthamide,COc5ccc(cc5N=Nc3c4ccccc4cc(C(=O)Nc2ccc(NC(=O)c1ccccc1)cc2)c3O)C(=O)Nc6cc(ccc6)C(F)(F)F,COc5ccc(cc5N=Nc3c4ccccc4cc(C(=O)Nc2ccc(NC(=O)c1ccccc1)cc2)c3O)C(=O)Nc6cc(ccc6)C(F)(F)F,"InChI=1/C39H28F3N5O5/c1-52-33-19-14-25(37(50)45-29-12-7-11-26(22-29)39(40,41)42)21-32(33)46-47-34-30-13-6-5-10-24(30)20-31(35(34)48)38(51)44-28-17-15-27(16-18-28)43-36(49)23-8-3-2-4-9-23/h2-22,48H,1H3,(H,43,49)(H,44,51)(H,45,50)",C39H28F3N5O5,,,,,,JUYFCILENJXBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.113,244-141-8,20994-26-7,"2,2'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bisethanol","2,2'-[biphenyl-4,4'-diylbis(oxy)]diethanol",OCCOc1ccc(cc1)c2ccc(OCCO)cc2,OCCOc1ccc(cc1)c2ccc(OCCO)cc2,"InChI=1/C16H18O4/c17-9-11-19-15-5-1-13(2-6-15)14-3-7-16(8-4-14)20-12-10-18/h1-8,17-18H,9-12H2",C16H18O4,,,,,,XUWHBHOYULRMIA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.751,245-942-5,23930-37-2,"3a,21-dihydroxy-5a-pregnane-11,20-dione 21-acetate","3-hydroxy-11,20-dioxopregnan-21-yl acetate",CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C23H34O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h14-18,21,25H,4-12H2,1-3H3",C23H34O5,,,,,,QRJOQYLXZPQQMX-FWROMSNXSA-N,,,,,,,,,,,
100.041.754,245-945-1,23941-53-9,6-mercapto-1H-pyridine-2-thione,6-sulfanylpyridine-2(1H)-thione,SC1=CC=CC(=S)N1,SC1=CC=CC(=S)N1,"InChI=1/C5H5NS2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)",C5H5NS2,,,,,,QVEUMXILHQDFLT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.760,245-951-4,23950-58-5,"3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide","3,5-dichloro-N-(1,1-dimethylprop-2-yn-1-yl)benzamide",CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C,CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C,"InChI=1/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)",C12H11Cl2NO,,,,,,PHNUZKMIPFFYSO-UHFFFAOYSA-N,Positive/Negative,SM846703;EQ317501|EQ317502|EQ317503|EQ317504|EQ317505|EQ317506,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,189.982:172.9556:256.029;189.9822:256.0292:172.9556|189.9821:172.9556:256.0292|172.9557:189.9822:67.0543|172.9558:172.9663:189.9822|172.9666:172.956:67.0543|172.9668:172.956:108.984,CASMI_2016;Eawag,EQ317551|EQ317552|EQ317553|EQ317554|EQ317555|EQ317556,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,227.9988:254.0145:144.9616|227.9989:144.9617:254.0146|144.9617:227.9989:186.9723|144.9617:145.9894:146.9858|145.9894:146.9858:144.9616|145.9894:146.9858:171.9859,Eawag
100.041.761,245-953-5,23950-98-3,2-methoxy-4-propylcyclohexan-1-ol,2-methoxy-4-propylcyclohexanol,CCCC1CCC(O)C(C1)OC,CCCC1CCC(O)C(C1)OC,"InChI=1/C10H20O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h8-11H,3-7H2,1-2H3",C10H20O2,,,,,,FLNSLKJOWVMPEE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.768,245-960-3,23973-67-3,"6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulphonic acid","6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulfonic acid",Cc1cccc(C)c1Nc2ccc3cc(cc(O)c3c2)S(=O)(=O)O,Cc1cccc(C)c1Nc2ccc3cc(cc(O)c3c2)S(=O)(=O)O,"InChI=1/C18H17NO4S/c1-11-4-3-5-12(2)18(11)19-14-7-6-13-8-15(24(21,22)23)10-17(20)16(13)9-14/h3-10,19-20H,1-2H3,(H,21,22,23)",C18H17NO4S,,,,,,GYBJEFAGISHFTI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.391,245-546-2,23275-26-5,Aluminium tri(hexanolate),aluminum trihexan-1-olate,[Al+3].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-],[Al+3].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-],"InChI=1/3C6H13O.Al/c3*1-2-3-4-5-6-7;/h3*2-6H2,1H3;/q3*-1;+3",C6H14O.1/3Al,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1770,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.391,QFCVQKSWGFVMTB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.392,245-547-8,23276-77-9,(1-ethylhexyl) hydrogen phthalate,2-{[(1-ethylhexyl)oxy]carbonyl}benzoic acid,CCCCCC(CC)OC(=O)c1ccccc1C(=O)O,CCCCCC(CC)OC(=O)c1ccccc1C(=O)O,"InChI=1/C16H22O4/c1-3-5-6-9-12(4-2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)",C16H22O4,,,,,,SVRGUNPFMROZBU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.394,245-549-9,23277-43-2,"(5a,6a)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride","17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride",Cl.O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45,Cl.O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45,"InChI=1/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H",C21H27NO4.ClH,,,,,,YZLZPSJXMWGIFH-BCXQGASESA-N,,,,,,,,,,,
100.041.396,245-552-5,23279-22-3,3-amino-L-tyrosine dihydrochloride monohydrate,3-aminotyrosine dihydrochloride hydrate,O.Cl.Cl.N[C@@H](Cc1ccc(O)c(N)c1)C(=O)O,O.Cl.Cl.N[C@@H](Cc1ccc(O)c(N)c1)C(=O)O,"InChI=1/C9H12N2O3.2ClH.H2O/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;;;/h1-3,7,12H,4,10-11H2,(H,13,14);2*1H;1H2",C9H12N2O3.2ClH,,,,,,ITQBVYBSXFBTJX-QTPLPEIMSA-N,,,,,,,,,,,
100.041.397,245-553-0,23282-55-5,Sodium N-(6-chloropyridazin-3-yl)sulphanilamidate,sodium [(4-aminophenyl)sulfonyl](6-chloropyridazin-3-yl)azanide,Nc1ccc(cc1)S(=O)(=O)N([Na])c2ccc(Cl)nn2,Nc1ccc(cc1)S(=O)(=O)N([Na])c2ccc(Cl)nn2,"InChI=1/C10H8ClN4O2S.Na/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8;/h1-6H,12H2;/q-1;+1/rC10H8ClN4NaO2S/c11-9-5-6-10(14-13-9)15(16)19(17,18)8-3-1-7(12)2-4-8/h1-6H,12H2",C10H9ClN4O2S.Na,,,,,,ODWMXYHUKDMPTR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.402,245-558-8,23288-02-0,"4,5-dimethyl-1H-indene","4,5-dimethyl-1H-indene",Cc1ccc2CC=Cc2c1C,Cc1ccc2CC=Cc2c1C,"InChI=1/C11H12/c1-8-6-7-10-4-3-5-11(10)9(8)2/h3,5-7H,4H2,1-2H3",C11H12,,,,,,DXOOGVCYLLEFOY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.412,245-569-8,23306-69-6,Ammonium 2-butenoate,ammonium but-2-enoate,[NH4+].[O-]C(=O)C=CC,[NH4+].[O-]C(=O)C=CC,"InChI=1/C4H6O2.H3N/c1-2-3-4(5)6;/h2-3H,1H3,(H,5,6);1H3",C4H6O2.H3N,,,,,,HMQGJGGUWFSPDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.999,249-514-9,29213-16-9,"1-(2,6-xylyl)biguanide","N-(2,6-dimethylphenyl)imidodicarbonimidic diamide",Cc1cccc(C)c1NC(=N)NC(=N)N,Cc1cccc(C)c1NC(=N)NC(=N)N,"InChI=1/C10H15N5/c1-6-4-3-5-7(2)8(6)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)",C10H15N5,,,,,,HPDCRAOWFOIELP-UHFFFAOYSA-N,,,,,,,,,,,
100.040.251,244-293-5,21249-13-8,Dimethylammonium sulphate,bis(N-methylmethanaminium) sulfate,C[NH2+]C.C[NH2+]C.[O-]S(=O)(=O)[O-],C[NH2+]C.C[NH2+]C.[O-]S(=O)(=O)[O-],"InChI=1/2C2H7N.H2O4S/c2*1-3-2;1-5(2,3)4/h2*3H,1-2H3;(H2,1,2,3,4)",C2H7N.xH2O4S,,,,,,CWLIWRWKTAVPMN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.260,244-302-2,21265-50-9,"Ammonium [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']ferrate(1-)","ammonium iron(3+) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[NH4+].[Fe+3].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[NH4+].[Fe+3].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.Fe.H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;1H3/q;+3;/p-3",C10H12FeN2O8.H4N,,,,,,XNSQZBOCSSMHSZ-UHFFFAOYSA-K,,,,,,,,,,,
100.040.268,244-311-1,21282-97-3,2-[(2-methyl-1-oxoallyl)oxy]ethyl acetoacetate,2-(methacryloyloxy)ethyl 3-oxobutanoate,CC(=O)CC(=O)OCCOC(=O)C(=C)C,CC(=O)CC(=O)OCCOC(=O)C(=C)C,"InChI=1/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3",C10H14O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12402,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.268,IBDVWXAVKPRHCU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.118,250-746-8,31638-96-7,"3,4,5-trimethoxy-N-3-pyridylbenzamide","3,4,5-trimethoxy-N-pyridin-3-ylbenzamide",COc1cc(cc(OC)c1OC)C(=O)Nc2cccnc2,COc1cc(cc(OC)c1OC)C(=O)Nc2cccnc2,"InChI=1/C15H16N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h4-9H,1-3H3,(H,17,18)",C15H16N2O4,,,,,,PGTYKYABUDWSST-UHFFFAOYSA-N,,,,,,,,,,,
100.046.122,250-751-5,31651-04-4,"2,8-diamino-1,5-dihydroxyanthraquinone","2,8-diamino-1,5-dihydroxy-9,10-anthraquinone",Nc1ccc2C(=O)c3c(O)ccc(N)c3C(=O)c2c1O,Nc1ccc2C(=O)c3c(O)ccc(N)c3C(=O)c2c1O,"InChI=1/C14H10N2O4/c15-6-3-4-8(17)11-10(6)14(20)9-5(12(11)18)1-2-7(16)13(9)19/h1-4,17,19H,15-16H2",C14H10N2O4,,,,,,LKQHERLUEBGWGF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.875,243-879-8,20562-02-1,Solanine,solanid-5-en-3-yl 6-deoxy-beta-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranoside,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6CC(CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6CC(CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1,"InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3",C45H73NO15,,,,,,ZGVSETXHNHBTRK-WWELWOLRSA-N,,,,,,,,,,,
100.039.876,243-880-3,20563-00-2,Copper(1+) stearate,copper(1+) stearate,[Cu+].CCCCCCCCCCCCCCCCCC(=O)[O-],[Cu+].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",C18H36O2.Cu,,,,,,FPHREELHOCEQEA-UHFFFAOYSA-M,,,,,,,,,,,
100.039.882,243-887-1,20570-96-1,Benzylhydrazine dihydrochloride,benzylhydrazine dihydrochloride,Cl.Cl.NNCc1ccccc1,Cl.Cl.NNCc1ccccc1,"InChI=1/C7H10N2.2ClH/c8-9-6-7-4-2-1-3-5-7;;/h1-5,9H,6,8H2;2*1H",C7H10N2.2ClH,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11667,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.882,MSJHOJKVMMEMNX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.890,243-896-0,20589-85-9,"1,2,3,3-tetrachloropropene","1,2,3,3-tetrachloroprop-1-ene",ClC=C(Cl)C(Cl)Cl,ClC=C(Cl)C(Cl)Cl,"InChI=1/C3H2Cl4/c4-1-2(5)3(6)7/h1,3H",C3H2Cl4,,,,,,JUGQRTGGLWOBPG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.894,243-900-0,20592-85-2,"[nitrilotris(methylene)]trisphosphonic acid, sodium salt",sodium hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate,[Na+].OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)[O-],[Na+].OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)[O-],"InChI=1/C3H12NO9P3.Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);/q;+1/p-1",C3H12NO9P3.xNa,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14507,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.894,RCUMDGGJOOTRBS-UHFFFAOYSA-M,,,,,,,,,,,
100.039.908,243-915-2,20603-00-3,Hexahydro-1H-azepine-1-ethanol,2-azepan-1-ylethanol,OCCN1CCCCCC1,OCCN1CCCCCC1,"InChI=1/C8H17NO/c10-8-7-9-5-3-1-2-4-6-9/h10H,1-8H2",C8H17NO,,,,,,VMRYMOMQCYSPHS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.548,243-518-4,20109-59-5,Sodium perfluoroheptanoate,sodium tridecafluoroheptanoate,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O[Na],FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O[Na],"InChI=1/C7HF13O2.Na/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);/q;+1/p-1",C7HF13O2.Na,,,,,,LKGSCUOIQGNNEK-UHFFFAOYSA-M,,,,,,,,,,,
100.039.551,243-522-6,20116-65-8,Dimethyl 4-methylphthalate,dimethyl 4-methylphthalate,COC(=O)c1ccc(C)cc1C(=O)OC,COC(=O)c1ccc(C)cc1C(=O)OC,"InChI=1/C11H12O4/c1-7-4-5-8(10(12)14-2)9(6-7)11(13)15-3/h4-6H,1-3H3",C11H12O4,,,,,,GICLKLDOSTVQQA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.555,243-526-8,20120-24-5,Ethyl 4-morpholinepropionate,ethyl 3-morpholin-4-ylpropanoate,CCOC(=O)CCN1CCOCC1,CCOC(=O)CCN1CCOCC1,"InChI=1/C9H17NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h2-8H2,1H3",C9H17NO3,,,,,,WRBIQTVRBWJCQT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.057,250-679-4,31522-23-3,"N-[3-[3-[(4-chloro-2,5-dimethoxyphenyl)amino]-1,3-dioxopropyl]phenyl]-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine","N-(3-{3-[(4-chloro-2,5-dimethoxyphenyl)amino]-3-oxopropanoyl}phenyl)-N~2~-isobutyryl-N~2~-octadecyl-L-asparagine",CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(OC)c(Cl)cc2OC)C(=O)O)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(OC)c(Cl)cc2OC)C(=O)O)C(=O)C(C)C,"InChI=1/C43H64ClN3O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-47(42(51)31(2)3)36(43(52)53)29-40(49)45-33-24-22-23-32(26-33)37(48)30-41(50)46-35-28-38(54-4)34(44)27-39(35)55-5/h22-24,26-28,31,36H,6-21,25,29-30H2,1-5H3,(H,45,49)(H,46,50)(H,52,53)",C43H64ClN3O8,,,,,,KILNESORACOZGN-BHVANESWSA-N,,,,,,,,,,,
100.046.060,250-683-6,31529-46-1,"2,3-dihydro-2-methyl-1H-indol-1-amine",2-methylindolin-1-amine,CC1Cc2ccccc2N1N,CC1Cc2ccccc2N1N,"InChI=1/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6,10H2,1H3",C9H12N2,,,,,,YELHZVMLYJGTFN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.771,245-964-5,23978-10-1,"1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane","1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane",C1COCCOCCNCCOCCOCCOCCN1,C1COCCOCCNCCOCCOCCOCCN1,"InChI=1/C14H30N2O5/c1-5-17-9-10-18-6-2-16-4-8-20-12-14-21-13-11-19-7-3-15-1/h15-16H,1-14H2",C14H30N2O5,,,,,,ALSQUFVBKLVFCC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.776,245-969-2,23981-80-8,2-(6-methoxy-2-naphthyl)propionic acid,2-(6-methoxy-2-naphthyl)propanoic acid,COc1ccc2cc(ccc2c1)C(C)C(=O)O,COc1ccc2cc(ccc2c1)C(C)C(=O)O,"InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)",C14H14O3,,,,,,CMWTZPSULFXXJA-UHFFFAOYSA-N,Positive/Negative,SM854403;EA020201|EA020202|EA020203|EA020204|EA020205|EA020206|EA020207|EA020208|EA020209|EA020210|EA020211|EA020212|EA020213|EA020214;UF406601|UF406602|UF406603|UF406604,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,185.096:170.0725:231.1016;185.096|231.1016:185.0961|185.096:231.101|185.096:170.0725:158.0729|185.096:170.0725:154.078|170.0724:185.0961:153.0699|170.0727:154.0775:153.0699|231.1015:185.096|185.096:231.1014|185.096:158.0726:170.0725|185.0959:170.0724:153.0698|170.0724:185.0961:154.0775|170.0725:153.0698:141.0699|185.096;185.0963:170.0728:158.0728|170.0728:154.0779:153.0701|185.0963:189.1024:201.1018|185.0962:189.1024:201.1018,CASMI_2016;Eawag;UFZ,EA020251|EA020264,[M-H]-,CID35|CID35,185.0974|185.0963,Eawag
100.041.778,245-971-3,23985-25-3,"2,6-dimethylocta-5,7-dien-4-one","2,6-dimethylocta-5,7-dien-4-one",CC(C)CC(=O)C=C(C)C=C,CC(C)CC(=O)C=C(C)C=C,"InChI=1/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3",C10H16O,,,,,,RJXKHBTYHGBOKV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.779,245-972-9,23996-12-5,2-phenyl-1H-imidazole-1-propiononitrile,3-(2-phenyl-1H-imidazol-1-yl)propanenitrile,N#CCCn1ccnc1c2ccccc2,N#CCCn1ccnc1c2ccccc2,"InChI=1/C12H11N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,9H2",C12H11N3,,,,,,BVYPJEBKDLFIDL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.786,245-980-2,24012-08-6,"Carbonic acid, ammonium zinc salt",-,[NH4+].[Zn+2].[O-]C(=O)[O-],[NH4+].[Zn+2].[O-]C(=O)[O-],"InChI=1/CH2O3.H3N.Zn/c2-1(3)4;;/h(H2,2,3,4);1H3;/q;;+2/p-1",CH2O3.xH3N.xZn,,,,,,CUHLTWOGTOCQBK-UHFFFAOYSA-M,,,,,,,,,,,
100.041.789,245-983-9,24016-03-3,3-benzyloxy-2-pyridylamine,3-(benzyloxy)pyridin-2-amine,Nc1ncccc1OCc2ccccc2,Nc1ncccc1OCc2ccccc2,"InChI=1/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)",C12H12N2O,,,,,,NMCBWICNRJLKKM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.794,245-989-1,24020-66-4,1-(2-sulphonatoethyl)pyridinium,2-pyridinium-1-ylethanesulfonate,[O-]S(=O)(=O)CC[n+]1ccccc1,[O-]S(=O)(=O)CC[n+]1ccccc1,"InChI=1/C7H9NO3S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C7H9NO3S,,,,,,WXNLLEDALLWEDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.801,245-997-5,24041-30-3,"3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulphonic acid","4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonic acid",OS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)c(c3)[N+]([O-])=O,OS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)c(c3)[N+]([O-])=O,"InChI=1/C16H13N5O7S/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25/h2-8,14,22H,1H3,(H,26,27,28)",C16H13N5O7S,,,,,,QUANISJMUGIEPC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.802,245-998-0,24041-60-9,"[1S-(1a,2ß,3a,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.805,246-001-1,24056-48-2,Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate,ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate,CCOC(=O)C1=CC(=O)C(=C(C)O1)O,CCOC(=O)C1=CC(=O)C(=C(C)O1)O,"InChI=1/C9H10O5/c1-3-13-9(12)7-4-6(10)8(11)5(2)14-7/h4,11H,3H2,1-2H3",C9H10O5,,,,,,LXHGALLQKKIMAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.809,246-005-3,24070-52-8,4-bromobutyrophenone,4-bromo-1-phenylbutan-1-one,O=C(CCCBr)c1ccccc1,O=C(CCCBr)c1ccccc1,"InChI=1/C10H11BrO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C10H11BrO,,,,,,AUWYVCBOBIRRGR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.812,246-009-5,24075-61-4,"[[5-(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio]acetic acid","{[5-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}acetic acid",O=C1C(SC(=S)N1CC)=C2SC(/SCC(O)=O)=N\\N2C,O=C1C(SC(=S)N1CC)=C2SC(/SCC(O)=O)=N\N2C,"InChI=1/C10H11N3O3S4/c1-3-13-7(16)6(19-10(13)17)8-12(2)11-9(20-8)18-4-5(14)15/h3-4H2,1-2H3,(H,14,15)",C10H11N3O3S4,,,,,,DZTXQVVJWODIAX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.440,245-600-5,23351-09-9,p-(1H-pyrrol-1-yl)phenol,4-(1H-pyrrol-1-yl)phenol,Oc1ccc(cc1)n2cccc2,Oc1ccc(cc1)n2cccc2,"InChI=1/C10H9NO/c12-10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8,12H",C10H9NO,,,,,,SSRBBYUGRMSIBT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.611,239-188-6,15123-98-5,Scandium phosphate,scandium phosphate,[Sc+3].[O-]P(=O)([O-])[O-],[Sc+3].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Sc/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",H3O4P.Sc,,,,,,DYRWWVFQQONJJK-UHFFFAOYSA-K,,,,,,,,,,,
100.035.614,239-191-2,15128-82-2,2-nitropyridin-3-ol,2-nitropyridin-3-ol,Oc1cccnc1[N+](=O)[O-],Oc1cccnc1[N+](=O)[O-],"InChI=1/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H",C5H4N2O3,,,,,,QBPDSKPWYWIHGA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.615,239-192-8,15128-90-2,6-methyl-2-nitropyridin-3-ol,6-methyl-2-nitropyridin-3-ol,Cc1ccc(O)c(n1)[N+](=O)[O-],Cc1ccc(O)c(n1)[N+](=O)[O-],"InChI=1/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3",C6H6N2O3,,,,,,WZMGQHIBXUAYGS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.602,235-878-6,13019-22-2,Dec-9-en-1-ol,dec-9-en-1-ol,OCCCCCCCCC=C,OCCCCCCCCC=C,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3-10H2",C10H20O,,,,,,QGFSQVPRCWJZQK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.606,235-882-8,13021-71-1,"4-Picoline, 2-(benzylamino)-",N-benzyl-4-methylpyridin-2-amine,Cc1ccnc(NCc2ccccc2)c1,Cc1ccnc(NCc2ccccc2)c1,"InChI=1/C13H14N2/c1-11-7-8-14-13(9-11)15-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,14,15)",C13H14N2,,,,,,QHDJYTUZWBABGW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.607,235-883-3,13022-83-8,Sodium 2-oxopentanoate,sodium 2-oxopentanoate,[Na+].CCCC(=O)C(=O)[O-],[Na+].CCCC(=O)C(=O)[O-],"InChI=1/C5H8O3.Na/c1-2-3-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1",C5H8O3.Na,,,,,,PPAYYZDRYXSSMC-UHFFFAOYSA-M,,,,,,,,,,,
100.032.620,235-898-5,13035-61-5,"1,2,3,5-tetraacetyl-beta-D-ribofuranose","1,2,3,5-tetra-O-acetyl-beta-D-ribofuranose",CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3",C13H18O9,,,,,,IHNHAHWGVLXCCI-FDYHWXHSSA-N,,,,,,,,,,,
100.032.621,235-899-0,13036-02-7,Dimethyl 5-hydroxyisophthalate,dimethyl 5-hydroxyisophthalate,COC(=O)c1cc(O)cc(c1)C(=O)OC,COC(=O)c1cc(O)cc(c1)C(=O)OC,"InChI=1/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3",C10H10O5,,,,,,DOSDTCPDBPRFHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.125,237-552-9,13838-08-9,Azidamfenicol,2-azido-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide,OC[C@@H](NC(=O)CN=[N+]=[N-])[C@H](O)c1ccc(cc1)[N+](=O)[O-],OC[C@@H](NC(=O)CN=[N+]=[N-])[C@H](O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)",C11H13N5O5,,,,,,SGRUZFCHLOFYHZ-MWLCHTKSSA-N,,,,,,,,,,,
100.034.129,237-557-6,13840-04-5,"Sulphuric acid, ammonium cerium salt",-,[NH4+].[Ce+3].[O-]S(=O)(=O)[O-],[NH4+].[Ce+3].[O-]S(=O)(=O)[O-],"InChI=1/Ce.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4)/q+3;;/p-1",Ce.xH3N.xH2O4S,,,,,,MQWZBJAKGDQFKD-UHFFFAOYSA-M,,,,,,,,,,,
100.034.130,237-558-1,13840-33-0,Lithium hypochlorite,lithium hypochlorite,[Li+].[O-]Cl,[Li+].[O-]Cl,InChI=1/ClO.Li/c1-2;/q-1;+1,ClHO.Li,,,,,,LWXVCCOAQYNXNX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.140,237-569-1,13845-07-3,Tripotassium hexachlororhodate,tripotassium hexachlororhodate,[K+].[K+].[K+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].[K+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/18ClH.3K.3Rh/h18*1H;;;;;;/q;;;;;;;;;;;;;;;;;;3*+1;3*+6/p-18/r3Cl6Rh.3K/c3*1-7(2,3,4,5)6;;;/q;;;3*+1",Cl6Rh.3K,,,,,,OTTFMKVYRNCSPT-UHFFFAOYSA-A,,,,,,,,,,,
100.035.961,239-573-9,15530-87-7,Dipotassium tetrachloroferrate(2-),dipotassium tetrachloroferrate(2-),[K+].[K+].Cl[Fe-2](Cl)(Cl)Cl,[K+].[K+].Cl[Fe-2](Cl)(Cl)Cl,"InChI=1/4ClH.Fe.2K/h4*1H;;;/q;;;;+4;2*+1/p-4/rCl4Fe.2K/c1-5(2,3)4;;/q;2*+1",Cl4Fe.2K,,,,,,TUPOFKMTBGIRJY-UHFFFAOYSA-J,,,,,,,,,,,
100.035.968,239-581-2,15535-79-2,"2,2-dioctyl-1,3,2-oxathiastannolan-5-one","2,2-dioctyl-1,3,2-oxathiastannolan-5-one",CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CS1,CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CS1,"InChI=1/2C8H17.C2H4O2S.Sn/c2*1-3-5-7-8-6-4-2;3-2(4)1-5;/h2*1,3-8H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2/rC18H36O2SSn/c1-3-5-7-9-11-13-15-22(20-18(19)17-21-22)16-14-12-10-8-6-4-2/h3-17H2,1-2H3",C18H36O2SSn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10334,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.968,KEUUHXDTZRYITO-UHFFFAOYSA-L,,,,,,,,,,,
100.035.975,239-589-6,15538-93-9,"Trichloro[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]silane","trichloro{3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl}silane",FC(F)(F)C(F)(OCCC[Si](Cl)(Cl)Cl)C(F)(F)F,FC(F)(F)C(F)(OCCC[Si](Cl)(Cl)Cl)C(F)(F)F,"InChI=1/C6H6Cl3F7OSi/c7-18(8,9)3-1-2-17-4(10,5(11,12)13)6(14,15)16/h1-3H2",C6H6Cl3F7OSi,,,,,,GATGUNJRFUIHOM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.977,239-591-7,15542-96-8,"1,3-dimethylpyrrolidine-2,5-dione","1,3-dimethylpyrrolidine-2,5-dione",CC1CC(=O)N(C)C1=O,CC1CC(=O)N(C)C1=O,"InChI=1/C6H9NO2/c1-4-3-5(8)7(2)6(4)9/h4H,3H2,1-2H3",C6H9NO2,,,,,,NIXKACOKLPRDMY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.984,239-599-0,15546-43-7,"N,N,N',N'-tetraphenyl[1,1'-biphenyl]-4,4'-diamine","N,N,N',N'-tetraphenylbiphenyl-4,4'-diamine",c1ccc(cc1)N(c2ccccc2)c3ccc(cc3)c4ccc(cc4)N(c5ccccc5)c6ccccc6,c1ccc(cc1)N(c2ccccc2)c3ccc(cc3)c4ccc(cc4)N(c5ccccc5)c6ccccc6,InChI=1/C36H28N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H,C36H28N2,,,,,,DCZNSJVFOQPSRV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.422,245-580-8,23313-92-0,"2-[3-[1,3-diethyl-1,3-dihydro-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1,3-diethyl-5-(trifluoromethyl)-1H-benzimidazolium","2-{3-[1,3-diethyl-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-en-1-yl}-1,3-diethyl-5-(trifluoromethyl)-2,3-dihydro-1H-3,1-benzimidazol-1-ium",FC(F)(F)c1cc4c(cc1)[NH+](CC)C(C=CC=C3N(CC)c2ccc(cc2N3CC)C(F)(F)F)N4CC,FC(F)(F)c1cc4c(cc1)[NH+](CC)C(C=CC=C3N(CC)c2ccc(cc2N3CC)C(F)(F)F)N4CC,"InChI=1/C27H30F6N4/c1-5-34-20-14-12-18(26(28,29)30)16-22(20)36(7-3)24(34)10-9-11-25-35(6-2)21-15-13-19(27(31,32)33)17-23(21)37(25)8-4/h9-17,24H,5-8H2,1-4H3/p+1",C27H29F6N4,,,,,,DHQWBSMIFSPLNM-UHFFFAOYSA-O,,,,,,,,,,,
100.041.427,245-586-0,23328-60-1,2-[2-(2-hydroxyethoxy)ethoxy]ethyl laurate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl laurate,CCCCCCCCCCCC(=O)OCCOCCOCCO,CCCCCCCCCCCC(=O)OCCOCCOCCO,"InChI=1/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-16-22-15-14-21-13-12-19/h19H,2-17H2,1H3",C18H36O5,,,,,,JPFNYQCURDHMDY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.431,245-590-2,23333-91-7,"Octahydro-4,8a-dimethyl-4a(2H)-naphthol","4,8a-dimethyloctahydronaphthalen-4a(2H)-ol",CC1CCCC2(C)CCCCC12O,CC1CCCC2(C)CCCCC12O,"InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3",C12H22O,,,,,,JLPUXFOGCDVKGO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.435,245-594-4,23341-13-1,5-cyanoisophthalic acid,5-cyanoisophthalic acid,OC(=O)c1cc(cc(c1)C(=O)O)C#N,OC(=O)c1cc(cc(c1)C(=O)O)C#N,"InChI=1/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)",C9H5NO4,,,,,,YKADUTAIRWMMFI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.883,249-386-4,29051-44-3,6-phenylnicotinic acid,6-phenylnicotinic acid,OC(=O)c1ccc(nc1)c2ccccc2,OC(=O)c1ccc(nc1)c2ccccc2,"InChI=1/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)",C12H9NO2,,,,,,DLFLQXUYRFIFOK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.884,249-388-5,29052-06-0,4-bromophenyl butyrate,4-bromophenyl butyrate,CCCC(=O)Oc1ccc(Br)cc1,CCCC(=O)Oc1ccc(Br)cc1,"InChI=1/C10H11BrO2/c1-2-3-10(12)13-9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3",C10H11BrO2,,,,,,PGUDBLNEUOQDEB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.885,249-389-0,29052-10-6,"Butyric acid, ester with p-hydroxybenzonitrile",4-cyanophenyl butyrate,CCCC(=O)Oc1ccc(cc1)C#N,CCCC(=O)Oc1ccc(cc1)C#N,"InChI=1/C11H11NO2/c1-2-3-11(13)14-10-6-4-9(8-12)5-7-10/h4-7H,2-3H2,1H3",C11H11NO2,,,,,,UQWSXHNINZRCTC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.899,249-405-6,29063-28-3,Octanol,octan-1-ol,CCCCCCCCO,CCCCCCCCO,"InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",C8H18O,,,,,,KBPLFHHGFOOTCA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.901,249-407-7,29063-59-0,Sucrose tetrapalmitate,"3,4-di-O-palmitoyl-beta-D-fructofuranosyl 2,3-di-O-palmitoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-66(80)86-71-65(62-78)90-76(63-79,74(71)89-69(83)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)91-75-73(88-68(82)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72(70(84)64(61-77)85-75)87-67(81)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h64-65,70-75,77-79,84H,5-63H2,1-4H3",C76H142O15,,,,,,KBXJHBZLRVRBLG-JVGFCKKKSA-N,,,,,,,,,,,
100.044.903,249-409-8,29066-34-0,(±)-menthyl acetate,2-isopropyl-5-methylcyclohexyl acetate,CC(C)C1CCC(C)CC1OC(=O)C,CC(C)C1CCC(C)CC1OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,XHXUANMFYXWVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.044.907,249-414-5,29077-87-0,"(1a,3a,8a)-9-oxabicyclo[6.1.0]nonan-3-ol",9-oxabicyclo[6.1.0]nonan-3-ol,O[C@@H]1CCCC[C@H]2O[C@H]2C1,O[C@@H]1CCCC[C@H]2O[C@H]2C1,"InChI=1/C8H14O2/c9-6-3-1-2-4-7-8(5-6)10-7/h6-9H,1-5H2",C8H14O2,,,,,,FHRVMGIEUUPKQO-PRJMDXOYSA-N,,,,,,,,,,,
100.044.912,249-419-2,29091-05-2,Dinitramine,"N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)benzene-1,3-diamine",CCN(CC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCN(CC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3",C11H13F3N4O4,,,,,,OFDYMSKSGFSLLM-UHFFFAOYSA-N,,,,,,,,,,,
100.044.913,249-420-8,29091-09-6,"2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene","2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene",[O-][N+](=O)c1cc(c(Cl)c(c1Cl)[N+](=O)[O-])C(F)(F)F,[O-][N+](=O)c1cc(c(Cl)c(c1Cl)[N+](=O)[O-])C(F)(F)F,"InChI=1/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H",C7HCl2F3N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12251,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.913,DPQYRXNRGNLPFC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.915,249-422-9,29092-13-5,Ethyl hydrogen tetrabromoterephthalate,"2,3,5,6-tetrabromo-4-(ethoxycarbonyl)benzoic acid",CCOC(=O)c1c(Br)c(Br)c(C(=O)O)c(Br)c1Br,CCOC(=O)c1c(Br)c(Br)c(C(=O)O)c(Br)c1Br,"InChI=1/C10H6Br4O4/c1-2-18-10(17)4-7(13)5(11)3(9(15)16)6(12)8(4)14/h2H2,1H3,(H,15,16)",C10H6Br4O4,,,,,,OMUHVEKJVPWWEH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.557,243-528-9,20120-33-6,Dimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate,dimethyl {3-[(hydroxymethyl)amino]-3-oxopropyl}phosphonate,COP(=O)(CCC(=O)NCO)OC,COP(=O)(CCC(=O)NCO)OC,"InChI=1/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)",C6H14NO5P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5303,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.557,MCONGYNHPPCHSD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.558,243-529-4,20120-48-3,"Disodium 6,6'-iminobis[4-hydroxynaphthalene-2-sulphonate]","disodium 6,6'-iminobis(4-hydroxynaphthalene-2-sulfonate)",[Na+].[Na+].Oc1cc(cc2ccc(Nc3ccc4cc(cc(O)c4c3)S(=O)(=O)[O-])cc12)S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2ccc(Nc3ccc4cc(cc(O)c4c3)S(=O)(=O)[O-])cc12)S(=O)(=O)[O-],"InChI=1/C20H15NO8S2.2Na/c22-19-9-15(30(24,25)26)5-11-1-3-13(7-17(11)19)21-14-4-2-12-6-16(31(27,28)29)10-20(23)18(12)8-14;;/h1-10,21-23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H15NO8S2.2Na,,,,,,JZPHVWXAYIALON-UHFFFAOYSA-L,,,,,,,,,,,
100.039.564,243-536-2,20132-74-5,"2,2-dichloro-N-methyl-3-oxobutyramide","2,2-dichloro-N-methyl-3-oxobutanamide",CNC(=O)C(Cl)(Cl)C(=O)C,CNC(=O)C(Cl)(Cl)C(=O)C,"InChI=1/C5H7Cl2NO2/c1-3(9)5(6,7)4(10)8-2/h1-2H3,(H,8,10)",C5H7Cl2NO2,,,,,,FUSJRPBAYJMLEA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.569,243-542-5,20139-62-2,"2,2'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxobutyramide]","2,2'-[(2,2'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(4-methoxyphenyl)-3-oxobutanamide]",Clc3cc(ccc3c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)cc2Cl)N=NC(C(C)=O)C(=O)Nc4ccc(OC)cc4,Clc3cc(ccc3c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)cc2Cl)N=NC(C(C)=O)C(=O)Nc4ccc(OC)cc4,"InChI=1/C34H30Cl2N6O6/c1-19(43)31(33(45)37-21-5-11-25(47-3)12-6-21)41-39-23-9-15-27(29(35)17-23)28-16-10-24(18-30(28)36)40-42-32(20(2)44)34(46)38-22-7-13-26(48-4)14-8-22/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)",C34H30Cl2N6O6,,,,,,JFXMNXSPYGVWSS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.578,243-551-4,20166-49-8,2-acetoxyethyl methacrylate,2-acetoxyethyl methacrylate,CC(=C)C(=O)OCCOC(=O)C,CC(=C)C(=O)OCCOC(=O)C,"InChI=1/C8H12O4/c1-6(2)8(10)12-5-4-11-7(3)9/h1,4-5H2,2-3H3",C8H12O4,,,,,,ZTJNPDLOIVDEEL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.580,243-554-0,20166-75-0,"N-[3-(dimethylamino)-2,2-dimethylpropyl]acrylamide","N-[3-(dimethylamino)-2,2-dimethylpropyl]acrylamide",CN(C)CC(C)(C)CNC(=O)C=C,CN(C)CC(C)(C)CNC(=O)C=C,"InChI=1/C10H20N2O/c1-6-9(13)11-7-10(2,3)8-12(4)5/h6H,1,7-8H2,2-5H3,(H,11,13)",C10H20N2O,,,,,,ZZSGYARVLIMPBM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.583,243-557-7,20170-34-7,Diethyl isopropenylphosphonate,diethyl isopropenylphosphonate,CCOP(=O)(OCC)C(=C)C,CCOP(=O)(OCC)C(=C)C,"InChI=1/C7H15O3P/c1-5-9-11(8,7(3)4)10-6-2/h3,5-6H2,1-2,4H3",C7H15O3P,,,,,,ZUUVSPXGBMKSJV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.584,243-558-2,20170-36-9,Trichloro(4-methylpentyl)silane,trichloro(4-methylpentyl)silane,CC(C)CCC[Si](Cl)(Cl)Cl,CC(C)CCC[Si](Cl)(Cl)Cl,"InChI=1/C6H13Cl3Si/c1-6(2)4-3-5-10(7,8)9/h6H,3-5H2,1-2H3",C6H13Cl3Si,,,,,,CNRLEJMPYFRWTK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.538,247-908-5,26694-70-2,"3,6-bis(ethylamino)-9-[o-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium hydrogen carbonate","3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthenium hydrogen carbonate",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OC)c2cc1C.[O-]C(=O)[O-],CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OC)c2cc1C.[O-]C(=O)[O-],"InChI=1/C27H29N2O3.CH2O3/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;2-1(3)4/h8-15,28-29H,6-7H2,1-5H3;(H2,2,3,4)/q+1;/p-2",C27H29N2O3.CHO3,,,,,,RJMBBFAGHQHEFM-UHFFFAOYSA-L,,,,,,,,,,,
100.043.540,247-910-6,26699-00-3,"N-[(benzyloxy)carbonyl]-L-isoleucine, compound with dicyclohexylamine (1:1)",N-[(benzyloxy)carbonyl]-L-isoleucine - N-cyclohexylcyclohexanamine (1:1),CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C14H19NO4.C12H23N/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2",C14H19NO4.C12H23N,,,,,,QWMHUFMEYKIYPC-RLVDVTLISA-N,,,,,,,,,,,
100.043.547,247-917-4,26718-88-7,Isobutyl icosanoate,isobutyl icosanoate,CCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C,CCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C,"InChI=1/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(25)26-22-23(2)3/h23H,4-22H2,1-3H3",C24H48O2,,,,,,WKVHKJPNBFWXHD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.550,247-921-6,26718-94-5,Propyl docosanoate,propyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC,"InChI=1/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24-4-2/h3-24H2,1-2H3",C25H50O2,,,,,,OKYLPPWXDVPDBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.553,247-924-2,26719-01-7,Isobutyl docosanoate,isobutyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C,"InChI=1/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h25H,4-24H2,1-3H3",C26H52O2,,,,,,MLOOWFAQLIBHEP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.555,247-926-3,26719-27-7,Diheptadecyl adipate,diheptadecyl adipate,CCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCC,"InChI=1/C40H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-43-39(41)35-31-32-36-40(42)44-38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",C40H78O4,,,,,,YKRHAKBRUIVEOW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.444,245-604-7,23355-64-8,"2,2'-[[3-chloro-4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({3-chloro-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}imino)diethanol",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1Cl)N(CCO)CCO)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1Cl)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C16H15Cl3N4O4/c17-12-7-10(22(3-5-24)4-6-25)1-2-15(12)20-21-16-13(18)8-11(23(26)27)9-14(16)19/h1-2,7-9,24-25H,3-6H2",C16H15Cl3N4O4,,,,,,HXXLWTPFYWMBSC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.447,245-607-3,23358-96-5,Dodecyltriethylammonium chloride,"N,N,N-triethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](CC)(CC)CC,[Cl-].CCCCCCCCCCCC[N+](CC)(CC)CC,"InChI=1/C18H40N.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;/h5-18H2,1-4H3;1H/q+1;/p-1",C18H40N.Cl,,,,,,YXQMBBJITUIBDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.041.450,245-611-5,23361-88-8,"1-(2,5,5-trimethylcycloheptyl)ethan-1-one","1-(2,5,5-trimethylcycloheptyl)ethanone",CC1CCC(C)(C)CCC1C(=O)C,CC1CCC(C)(C)CCC1C(=O)C,"InChI=1/C12H22O/c1-9-5-7-12(3,4)8-6-11(9)10(2)13/h9,11H,5-8H2,1-4H3",C12H22O,,,,,,JWSPCHBTDQQQMM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.451,245-612-0,23363-14-6,Yttrium(3+) acetate,yttrium triacetate,[Y+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Y+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Y/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Y,,,,,,JUWHRRAPBUAYTA-UHFFFAOYSA-K,,,,,,,,,,,
100.041.459,245-620-4,23380-54-3,2-amino-5-(aminosulphonyl)-4-chloro-N-(o-tolyl)benzamide,2-amino-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide,Cc1ccccc1NC(=O)c2cc(c(Cl)cc2N)S(=O)(=O)N,Cc1ccccc1NC(=O)c2cc(c(Cl)cc2N)S(=O)(=O)N,"InChI=1/C14H14ClN3O3S/c1-8-4-2-3-5-12(8)18-14(19)9-6-13(22(17,20)21)10(15)7-11(9)16/h2-7H,16H2,1H3,(H,18,19)(H2,17,20,21)",C14H14ClN3O3S,,,,,,YWXVGSRRJLYMHX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.460,245-622-5,23381-53-5,Didodecyldimethylammonium hydroxide,"N-dodecyl-N,N-dimethyldodecan-1-aminium hydroxide",[OH-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,[OH-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,"InChI=1/C26H56N.H2O/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H2/q+1;/p-1",C26H56N.HO,,,,,,KZOIWQKIVZDOGH-UHFFFAOYSA-M,,,,,,,,,,,
100.041.465,245-627-2,23384-72-7,"3',4'-difluoropropiophenone","1-(3,4-difluorophenyl)propan-1-one",CCC(=O)c1ccc(F)c(F)c1,CCC(=O)c1ccc(F)c(F)c1,"InChI=1/C9H8F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3",C9H8F2O,,,,,,FSZOBSMJJFHVCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.466,245-628-8,23385-72-0,"(2-oxo-1,3-dioxolan-4-yl)methyl chloroformate","(2-oxo-1,3-dioxolan-4-yl)methyl chlorocarbonate",ClC(=O)OCC1COC(=O)O1,ClC(=O)OCC1COC(=O)O1,"InChI=1/C5H5ClO5/c6-4(7)9-1-3-2-10-5(8)11-3/h3H,1-2H2",C5H5ClO5,,,,,,OBTAECLHONHFSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.467,245-629-3,23386-52-9,"Sodium 1,4-dicyclohexyl sulphonatosuccinate","sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC2CCCCC2,[Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC2CCCCC2,"InChI=1/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1/p-1",C16H26O7S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5607,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.467,UELAIMNOXLAYRW-UHFFFAOYSA-M,,,,,,,,,,,
100.041.470,245-633-5,23394-16-3,Bis[cholest-5-en-3ß-yl] sebacate,dicholest-5-en-3-yl sebacate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCCC(=O)O[C@H]5CC[C@]6(C)[C@H]7CC[C@]8(C)[C@H](CC[C@H]8[C@@H]7CC=C6C5)[C@H](C)CCCC(C)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCCC(=O)O[C@H]5CC[C@]6(C)[C@H]7CC[C@]8(C)[C@H](CC[C@H]8[C@@H]7CC=C6C5)[C@H](C)CCCC(C)C,"InChI=1/C64H106O4/c1-43(2)19-17-21-45(5)53-29-31-55-51-27-25-47-41-49(33-37-61(47,7)57(51)35-39-63(53,55)9)67-59(65)23-15-13-11-12-14-16-24-60(66)68-50-34-38-62(8)48(42-50)26-28-52-56-32-30-54(46(6)22-18-20-44(3)4)64(56,10)40-36-58(52)62/h25-26,43-46,49-58H,11-24,27-42H2,1-10H3",C64H106O4,,,,,,WUHFQANUEHARLW-VXOVUZAMSA-N,,,,,,,,,,,
100.034.474,237-937-1,14090-87-0,"Octane-2,4-dione","octane-2,4-dione",CCCCC(=O)CC(=O)C,CCCCC(=O)CC(=O)C,"InChI=1/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3-6H2,1-2H3",C8H14O2,,,,,,GJYXGIIWJFZCLN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.482,237-946-0,14097-03-1,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium,"2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O,"InChI=1/C19H25ClN5O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20/h6-11,14H,5,12-13H2,1-4H3/q+1",C19H25ClN5O2,,,,,,TZXATTMVGZDPHM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.485,237-949-7,14099-12-8,Mercury dipotassium tetrathiocyanate,mercury dipotassium tetrathiocyanate,[K+].[K+].[Hg+2].[S-]C#N.[S-]C#N.[S-]C#N.[S-]C#N,[K+].[K+].[Hg+2].[S-]C#N.[S-]C#N.[S-]C#N.[S-]C#N,InChI=1/4CHNS.Hg.2K/c4*2-1-3;;;/h4*3H;;;/q;;;;+2;2*+1/p-4,C4HgN4S4.2K,,,,,,HWXOCCNUUYRBKP-UHFFFAOYSA-J,,,,,,,,,,,
100.035.987,239-603-0,15548-60-4,5-bromo-4-chloroindol-3-yl-ß-D-glucopyranoside,"3-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-olate (non-preferred name)",OC[C@H]1O[C@@H]([O-])[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H]([O-])[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H]1O,"InChI=1/C14H14BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-13-12(20)11(19)8(4-18)23-14(13)21/h1-3,8,11-14,17-20H,4H2/q-1",C14H15BrClNO6,,,,,,VFKCDXJDSDJFQU-LNNRFACYSA-N,,,,,,,,,,,
100.035.989,239-605-1,15552-06-4,Diammonium yttrium pentanitrate,diammonium yttrium pentanitrate,[NH4+].[NH4+].[Y+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Y+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/5NO3.2H3N.Y/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2,H3N.5/2HNO3.1/2Y,,,,,,DLSSAQRDVLQQMZ-UHFFFAOYSA-P,,,,,,,,,,,
100.035.998,239-615-6,15567-28-9,(2-ethylhexyl)ammonium ditridecyl phosphate,2-ethylhexan-1-aminium ditridecyl phosphate,CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC.CCCCC(CC)C[NH3+],CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC.CCCCC(CC)C[NH3+],"InChI=1/C26H55O4P.C8H19N/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-6-8(4-2)7-9/h3-26H2,1-2H3,(H,27,28);8H,3-7,9H2,1-2H3",C26H55O4P.C8H19N,,,,,,ABNVXNXVSXFNOI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.986,236-300-5,13287-79-1,Triethylhexadecylammonium chloride,"N,N,N-triethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](CC)(CC)CC,[Cl-].CCCCCCCCCCCCCCCC[N+](CC)(CC)CC,"InChI=1/C22H48N.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1",C22H48N.Cl,,,,,,WPPGURUIRLDHAB-UHFFFAOYSA-M,,,,,,,,,,,
100.034.501,237-967-5,14112-98-2,7-oxooctanoic acid,7-oxooctanoic acid,CC(=O)CCCCCC(=O)O,CC(=O)CCCCCC(=O)O,"InChI=1/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3,(H,10,11)",C8H14O3,,,,,,OSAHCBHKCKPJGI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.515,237-982-7,14130-06-4,Docosylamine,docosan-1-amine,CCCCCCCCCCCCCCCCCCCCCCN,CCCCCCCCCCCCCCCCCCCCCCN,"InChI=1/C22H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-23H2,1H3",C22H47N,,,,,,VPNOHCYAOXWMAR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.522,237-990-0,14143-25-0,4-(dimethylamino)-m-cresol,4-(dimethylamino)-3-methylphenol,CN(C)c1ccc(O)cc1C,CN(C)c1ccc(O)cc1C,"InChI=1/C9H13NO/c1-7-6-8(11)4-5-9(7)10(2)3/h4-6,11H,1-3H3",C9H13NO,,,,,,SZBIKNXBDIVHKY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.523,237-991-6,14143-32-9,4-chloro-3-ethylphenol,4-chloro-3-ethylphenol,CCc1cc(O)ccc1Cl,CCc1cc(O)ccc1Cl,"InChI=1/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3",C8H9ClO,,,,,,DVKVZPIRWWREJC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.524,237-992-1,14143-60-3,"4-amino-3,5,6-trichloropyridine-2-carbonitrile","4-amino-3,5,6-trichloropyridine-2-carbonitrile",Nc1c(Cl)c(Cl)nc(C#N)c1Cl,Nc1c(Cl)c(Cl)nc(C#N)c1Cl,"InChI=1/C6H2Cl3N3/c7-3-2(1-10)12-6(9)4(8)5(3)11/h(H2,11,12)",C6H2Cl3N3,,,,,,AZYYQVGBVUCIEO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.616,239-193-3,15130-76-4,"1-methoxy-3,7,11-trimethyldodeca-2,6,10-triene","1-methoxy-3,7,11-trimethyldodeca-2,6,10-triene",COCC=C(C)CCC=C(C)CC\\C=C(/C)C,COCC=C(C)CCC=C(C)CC\C=C(/C)C,"InChI=1/C16H28O/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-5/h8,10,12H,6-7,9,11,13H2,1-5H3",C16H28O,,,,,,HZDZRGKULMGCJE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.618,239-195-4,15131-55-2,Bis(cyclopent-2-enyl) ether,"3,3'-oxydicyclopentene",C1CC(OC2CCC=C2)C=C1,C1CC(OC2CCC=C2)C=C1,"InChI=1/C10H14O/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1,3,5,7,9-10H,2,4,6,8H2",C10H14O,,,,,,JHXDCKWLPYBHJY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.621,239-199-6,15138-76-8,Lithium tetrafluoroaluminate,lithium tetrafluoroaluminate(1-),[Li+].F[Al-](F)(F)F,[Li+].F[Al-](F)(F)F,"InChI=1/Al.4FH.Li/h;4*1H;/q+3;;;;;+1/p-4/rAlF4.Li/c2-1(3,4)5;/q-1;+1",AlF4.Li,,,,,,LPSHDNODGBKBOW-UHFFFAOYSA-J,,,,,,,,,,,
100.035.624,239-203-6,15141-18-1,2-[N-ethyl-4-[(5-nitrothiazol-2-yl)azo]-m-toluidino]ethyl acetate,"2-(ethyl{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)ethyl acetate",CC(=O)OCCN(CC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,CC(=O)OCCN(CC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,"InChI=1/C16H19N5O4S/c1-4-20(7-8-25-12(3)22)13-5-6-14(11(2)9-13)18-19-16-17-10-15(26-16)21(23)24/h5-6,9-10H,4,7-8H2,1-3H3",C16H19N5O4S,,,,,,HMAJVAFLGGPIPN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.250,242-091-1,18202-73-8,Pivalamidine hydrochloride,"2,2-dimethylpropanimidamide hydrochloride",Cl.CC(C)(C)C(=N)N,Cl.CC(C)(C)C(=N)N,"InChI=1/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H",C5H12N2.ClH,,,,,,ARDGQYVTLGUJII-UHFFFAOYSA-N,,,,,,,,,,,
100.038.252,242-093-2,18204-93-8,Dichlorodihexylsilane,dichloro(dihexyl)silane,CCCCCC[Si](Cl)(Cl)CCCCCC,CCCCCC[Si](Cl)(Cl)CCCCCC,"InChI=1/C12H26Cl2Si/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3",C12H26Cl2Si,,,,,,NRAYZPGATNMOSB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.256,242-097-4,18212-29-8,"5-phenyl-1,2,3-thiadiazole","5-phenyl-1,2,3-thiadiazole",c1ccc(cc1)c2cnns2,c1ccc(cc1)c2cnns2,InChI=1/C8H6N2S/c1-2-4-7(5-3-1)8-6-9-10-11-8/h1-6H,C8H6N2S,,,,,,MXTVVTVVBOYKCU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.917,249-425-5,29092-63-5,"4-[[4-[(2-hydroxyethyl)sulphonyl]-2,5-dimethoxyphenyl]azo]-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid, hydrogen sulphate (ester)","4-[(2,5-dimethoxy-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",COc1cc(c(OC)cc1N=NC2C(=O)N(N=C2C(=O)O)c3ccc(cc3)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O,COc1cc(c(OC)cc1N=NC2C(=O)N(N=C2C(=O)O)c3ccc(cc3)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C20H20N4O14S3/c1-36-14-10-16(39(28,29)8-7-38-41(33,34)35)15(37-2)9-13(14)21-22-17-18(20(26)27)23-24(19(17)25)11-3-5-12(6-4-11)40(30,31)32/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35)",C20H20N4O14S3,,,,,,ZALKFJRRNQAOGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.919,249-427-6,29094-61-9,Glipizide,N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-5-methylpyrazine-2-carboxamide,Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3,Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3,"InChI=1/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)",C21H27N5O4S,,,,,,ZJJXGWJIGJFDTL-UHFFFAOYSA-N,,,,,,,,,,,
100.044.924,249-432-3,29096-99-9,Methyl 2-cyano-3-ethoxyacrylate,methyl 2-cyano-3-ethoxyacrylate,CCO\\C=C(\\C#N)/C(=O)OC,CCO\C=C(\C#N)/C(=O)OC,"InChI=1/C7H9NO3/c1-3-11-5-6(4-8)7(9)10-2/h5H,3H2,1-2H3",C7H9NO3,,,,,,FYXVHJJZGRTONS-WAYWQWQTSA-N,,,,,,,,,,,
100.044.925,249-433-9,29097-12-9,"1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinamide","1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide",CCN1C(=CC(=C(C(=O)N)C1=O)C)O,CCN1C(=CC(=C(C(=O)N)C1=O)C)O,"InChI=1/C9H12N2O3/c1-3-11-6(12)4-5(2)7(8(10)13)9(11)14/h4,12H,3H2,1-2H3,(H2,10,13)",C9H12N2O3,,,,,,IVEOCYLKEXGIPE-UHFFFAOYSA-N,,,,,,,,,,,
100.044.926,249-434-4,29098-15-5,Terofenamate,"ethoxymethyl 2-[(2,6-dichloro-3-methylphenyl)amino]benzoate",CCOCOC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl,CCOCOC(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl,"InChI=1/C17H17Cl2NO3/c1-3-22-10-23-17(21)12-6-4-5-7-14(12)20-16-13(18)9-8-11(2)15(16)19/h4-9,20H,3,10H2,1-2H3",C17H17Cl2NO3,,,,,,FRQSLQPWXFAJFO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.024,250-643-8,31465-25-5,Sodium 4-hydroxybutane-1-sulphonate,sodium 4-hydroxybutane-1-sulfonate,[Na+].OCCCCS(=O)(=O)[O-],[Na+].OCCCCS(=O)(=O)[O-],"InChI=1/C4H10O4S.Na/c5-3-1-2-4-9(6,7)8;/h5H,1-4H2,(H,6,7,8);/q;+1/p-1",C4H10O4S.Na,,,,,,GEDBQJUJNQVBHE-UHFFFAOYSA-M,,,,,,,,,,,
100.046.030,250-650-6,31478-45-2,Bamnidazole,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl carbamate,Cc1ncc([N+](=O)[O-])n1CCOC(=O)N,Cc1ncc([N+](=O)[O-])n1CCOC(=O)N,"InChI=1/C7H10N4O4/c1-5-9-4-6(11(13)14)10(5)2-3-15-7(8)12/h4H,2-3H2,1H3,(H2,8,12)",C7H10N4O4,,,,,,JOVXEDBYAWFQQX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.032,250-652-7,31480-93-0,p-hydroxyphenyl methacrylate,4-hydroxyphenyl methacrylate,CC(=C)C(=O)Oc1ccc(O)cc1,CC(=C)C(=O)Oc1ccc(O)cc1,"InChI=1/C10H10O3/c1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-6,11H,1H2,2H3",C10H10O3,,,,,,PJMXUSNWBKGQEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.033,250-653-2,31482-07-2,"2,2',2'',2'''-[(6-chloro-1,3,5-triazine-2,4-diyl)dinitrilo]tetrakisethanol","2,2',2'',2'''-[(6-chloro-1,3,5-triazine-2,4-diyl)dinitrilo]tetraethanol",OCCN(CCO)c1nc(Cl)nc(n1)N(CCO)CCO,OCCN(CCO)c1nc(Cl)nc(n1)N(CCO)CCO,"InChI=1/C11H20ClN5O4/c12-9-13-10(16(1-5-18)2-6-19)15-11(14-9)17(3-7-20)4-8-21/h18-21H,1-8H2",C11H20ClN5O4,,,,,,CCOODJAWWFUZLD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.041,250-662-1,31502-14-4,(E)-non-2-en-1-ol,non-2-en-1-ol,CCCCCC\\C=C\\CO,CCCCCC\C=C\CO,"InChI=1/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3",C9H18O,,,,,,NSSALFVIQPAIQK-BQYQJAHWSA-N,,,,,,,,,,,
100.046.044,250-665-8,31506-32-8,Heptadecafluoro-N-methyloctanesulphonamide,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide",CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3",C9H4F17NO2S,,,,,,SRMWNTGHXHOWBT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.045,250-666-3,31506-87-3,"2,4-dinitrobenzenediazonium sulphate (2:1)","bis(2,4-dinitrobenzenediazonium) sulfate",[O-][N+](=O)c1ccc([N+]#N)c(c1)[N+](=O)[O-].[O-][N+](=O)c2ccc([N+]#N)c(c2)[N+](=O)[O-].[O-]S(=O)(=O)[O-],[O-][N+](=O)c1ccc([N+]#N)c(c1)[N+](=O)[O-].[O-][N+](=O)c2ccc([N+]#N)c(c2)[N+](=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2C6H3N4O4.H2O4S/c2*7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;1-5(2,3)4/h2*1-3H;(H2,1,2,3,4)/q2*+1;/p-2",C6H3N4O4.1/2O4S,,,,,,LQTWAYRVPSCETI-UHFFFAOYSA-L,,,,,,,,,,,
100.046.052,250-674-7,31519-22-9,"1,4-dihydroxy-2-naphthoic acid","1,4-dihydroxy-2-naphthoic acid",OC(=O)c1cc(O)c2ccccc2c1O,OC(=O)c1cc(O)c2ccccc2c1O,"InChI=1/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)",C11H8O4,,,,,,VOJUXHHACRXLTD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.053,250-675-2,31521-55-8,"1,3-diallyl-2-[2-(1-methyl-5-nitro-2-phenylindol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate","1,3-diallyl-2-[2-(1-methyl-5-nitro-2-phenyl-1H-indol-3-yl)vinyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].Cn2c(c(\\C=C\\C3N(CC=C)c4nc5ccccc5nc4[NH+]3CC=C)c6cc(ccc26)[N+](=O)[O-])c7ccccc7,Cc1ccc(cc1)S(=O)(=O)[O-].Cn2c(c(\C=C\C3N(CC=C)c4nc5ccccc5nc4[NH+]3CC=C)c6cc(ccc26)[N+](=O)[O-])c7ccccc7,"InChI=1/C32H28N6O2.C7H8O3S/c1-4-19-36-29(37(20-5-2)32-31(36)33-26-13-9-10-14-27(26)34-32)18-16-24-25-21-23(38(39)40)15-17-28(25)35(3)30(24)22-11-7-6-8-12-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-18,21,29H,1-2,19-20H2,3H3;2-5H,1H3,(H,8,9,10)",C32H27N6O2.C7H7O3S,,,,,,CBQNIZHQMHRCGW-HYNBPGMHSA-N,,,,,,,,,,,
100.043.558,247-930-5,26719-47-1,Ditetradecyl sebacate,ditetradecyl sebacate,CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/C38H74O4/c1-3-5-7-9-11-13-15-17-19-23-27-31-35-41-37(39)33-29-25-21-22-26-30-34-38(40)42-36-32-28-24-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C38H74O4,,,,,,DVXXGJIEZNWCNE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.560,247-932-6,26719-99-3,Didodecyl azelate,didodecyl azelaate,CCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCC,"InChI=1/C33H64O4/c1-3-5-7-9-11-13-15-17-22-26-30-36-32(34)28-24-20-19-21-25-29-33(35)37-31-27-23-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",C33H64O4,,,,,,JTJNOHFRNUDPDF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.561,247-933-1,26720-09-2,Ditetradecyl succinate,ditetradecyl succinate,CCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCC,"InChI=1/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",C32H62O4,,,,,,QZTCMCYWQLXVRK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.566,247-938-9,26720-19-4,Ditetradecyl adipate,ditetradecyl adipate,CCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-37-33(35)29-25-26-30-34(36)38-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C34H66O4,,,,,,QZQPCVVMCYMSFX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.569,247-942-0,26720-37-6,Hexyl docosanoate,hexyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC,"InChI=1/C28H56O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28(29)30-27-25-8-6-4-2/h3-27H2,1-2H3",C28H56O2,,,,,,SZHHTCPIUIMTIX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.571,247-944-1,26723-60-4,"3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide","3-chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-ol 5,5-dioxide",CN1c2ccccc2C(O)c3ccc(Cl)cc3S1(=O)=O,CN1c2ccccc2C(O)c3ccc(Cl)cc3S1(=O)=O,"InChI=1/C14H12ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8,14,17H,1H3",C14H12ClNO3S,,,,,,KBRSJPHSCOAFDR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.578,247-952-5,26741-53-7,"3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane","3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CC(C)(C)c1ccc(OP2OCC3(COP(Oc4ccc(cc4C(C)(C)C)C(C)(C)C)OC3)CO2)c(c1)C(C)(C)C,CC(C)(C)c1ccc(OP2OCC3(COP(Oc4ccc(cc4C(C)(C)C)C(C)(C)C)OC3)CO2)c(c1)C(C)(C)C,"InChI=1/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3",C33H50O6P2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5263,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.578,AIBRSVLEQRWAEG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.156,247-488-3,26160-83-8,"Octahydro-4,7-methano-1H-indenedimethanol","octahydro-1H-4,7-methanoindene-1,5-diyldimethanol",OCC1CCC2C3CC(CC3CO)C12,OCC1CCC2C3CC(CC3CO)C12,"InChI=1/C12H20O2/c13-5-7-1-2-10-11-4-8(12(7)10)3-9(11)6-14/h7-14H,1-6H2",C12H20O2,,,,,,OTLDLKLSNZMTTA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.158,247-490-4,26164-08-9,"3,4-dihydro-4-methyl-1H-2-benzopyran","4-methyl-3,4-dihydro-1H-isochromene",CC1COCc2ccccc12,CC1COCc2ccccc12,"InChI=1/C10H12O/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3",C10H12O,,,,,,KFOXDILMEHCWMS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.163,247-496-7,26171-06-2,1-methylpyrrolidine-2-methylamine,1-(1-methylpyrrolidin-2-yl)methanamine,CN1CCCC1CN,CN1CCCC1CN,"InChI=1/C6H14N2/c1-8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3",C6H14N2,,,,,,JUFKJRCMBLLXNH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.171,247-504-9,26177-85-5,"Fructose 1,6-bis(sodium hydrogen phosphate)","disodium 1,6-bis-O-(hydroxyphosphinato)hex-2-ulofuranose",OC1C(O)C(O)(COP(=O)(O)O[Na])OC1COP(=O)(O)O[Na],OC1C(O)C(O)(COP(=O)(O)O[Na])OC1COP(=O)(O)O[Na],"InChI=1/C6H14O12P2.2Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2/rC6H12Na2O12P2/c7-19-21(12,13)16-1-3-4(9)5(10)6(11,18-3)2-17-22(14,15)20-8/h3-5,9-11H,1-2H2,(H,12,13)(H,14,15)",C6H14O12P2.2Na,,,,,,RDPZKRDHOFHWOK-UHFFFAOYSA-L,,,,,,,,,,,
100.043.173,247-507-5,26179-35-1,"N,N'-bis(4-aminophenyl)adipamide","N,N'-bis(4-aminophenyl)hexanediamide",Nc1ccc(NC(=O)CCCCC(=O)Nc2ccc(N)cc2)cc1,Nc1ccc(NC(=O)CCCCC(=O)Nc2ccc(N)cc2)cc1,"InChI=1/C18H22N4O2/c19-13-5-9-15(10-6-13)21-17(23)3-1-2-4-18(24)22-16-11-7-14(20)8-12-16/h5-12H,1-4,19-20H2,(H,21,23)(H,22,24)",C18H22N4O2,,,,,,HVCRWARLEIATFU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.176,247-510-1,26184-96-3,6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucose,6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucose,C[C@@H]1O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C12H22O10/c1-4-7(16)10(19)11(20)12(22-4)21-3-6(15)9(18)8(17)5(14)2-13/h2,4-12,14-20H,3H2,1H3",C12H22O10,,,,,,CPYCUQCIDSHOHI-IFLAJBTPSA-N,,,,,,,,,,,
100.043.178,247-512-2,26189-88-8,"2,2'-[(3-aminophenyl)imino]bisethyl diacetate","[(3-aminophenyl)imino]diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(=O)C)c1cccc(N)c1,CC(=O)OCCN(CCOC(=O)C)c1cccc(N)c1,"InChI=1/C14H20N2O4/c1-11(17)19-8-6-16(7-9-20-12(2)18)14-5-3-4-13(15)10-14/h3-5,10H,6-9,15H2,1-2H3",C14H20N2O4,,,,,,LQMOHCBAOVGFMO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.489,237-953-9,14101-04-3,"3-(D-apio-ß-D-furanosyloxy)-1,8-dihydroxy-6-methylanthraquinone","4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl pentofuranoside",Cc1cc(O)c2C(=O)c3c(O)cc(OC4OC(CO)C(O)C4O)cc3C(=O)c2c1,Cc1cc(O)c2C(=O)c3c(O)cc(OC4OC(CO)C(O)C4O)cc3C(=O)c2c1,"InChI=1/C20H18O9/c1-7-2-9-14(11(22)3-7)18(26)15-10(16(9)24)4-8(5-12(15)23)28-20-19(27)17(25)13(6-21)29-20/h2-5,13,17,19-23,25,27H,6H2,1H3",C20H18O9,,,,,,AMLHPEKHAAPTGM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.008,239-626-6,15571-91-2,Dipotassium tetraoxotellurate,dipotassium tetraoxotellurate,[K+].[K+].O=[Te-2](=O)(=O)=O,[K+].[K+].O=[Te-2](=O)(=O)=O,"InChI=1/2K.O4Te/c;;1-5(2,3)4/q2*+1;-2",H2O4Te.2K,,,,,,ZDTBWAFICHQDHH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.012,239-630-8,15572-79-9,L-galactose,L-galactose,OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O,OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O,"InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2",C6H12O6,,,,,,GZCGUPFRVQAUEE-DPYQTVNSSA-N,,,,,,,,,,,
100.038.112,241-939-8,18027-10-6,Sodium trimethylsilanolate,sodium trimethylsilanolate,[Na+].C[Si](C)(C)[O-],[Na+].C[Si](C)(C)[O-],"InChI=1/C3H9OSi.Na/c1-5(2,3)4;/h1-3H3;/q-1;+1",C3H10OSi.Na,,,,,,HSNUIYJWTSJUMS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.113,241-940-3,18027-45-7,"3-[(dimethylsilyl)oxy]-1,1,5,5-tetramethyl-3-phenyltrisiloxane","3-[(dimethylsilyl)oxy]-1,1,5,5-tetramethyl-3-phenyltrisiloxane",C[SiH](C)O[Si](O[SiH](C)C)(O[SiH](C)C)c1ccccc1,C[SiH](C)O[Si](O[SiH](C)C)(O[SiH](C)C)c1ccccc1,"InChI=1/C12H26O3Si4/c1-16(2)13-19(14-17(3)4,15-18(5)6)12-10-8-7-9-11-12/h7-11,16-18H,1-6H3",C12H26O3Si4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17519,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.113,CQZDNELEZXTFEH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.114,241-941-9,18028-57-4,"6-methoxy-1,4-dimethyl-9H-carbazole","6-methoxy-1,4-dimethyl-9H-carbazole",COc1ccc2[nH]c3c(C)ccc(C)c3c2c1,COc1ccc2[nH]c3c(C)ccc(C)c3c2c1,"InChI=1/C15H15NO/c1-9-4-5-10(2)15-14(9)12-8-11(17-3)6-7-13(12)16-15/h4-8,16H,1-3H3",C15H15NO,,,,,,JYCYJKQLGQKTRX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.116,241-944-5,18029-54-4,"5-[3-(dimethylamino)propyl]-5H-dibenzo[a,d]cyclohepten-5-ol","5-[3-(dimethylamino)propyl]-5H-dibenzo[a,d][7]annulen-5-ol",CN(C)CCCC1(O)c2ccccc2C=Cc3ccccc13,CN(C)CCCC1(O)c2ccccc2C=Cc3ccccc13,"InChI=1/C20H23NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13,22H,7,14-15H2,1-2H3",C20H23NO,,,,,,VMLRQKQUOMJJAN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.117,241-945-0,18037-10-0,N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]pyrimidin-4-amine,N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]pyrimidin-4-amine,C[Si](C)(C)Nc1ccnc(O[Si](C)(C)C)n1,C[Si](C)(C)Nc1ccnc(O[Si](C)(C)C)n1,"InChI=1/C10H21N3OSi2/c1-15(2,3)13-9-7-8-11-10(12-9)14-16(4,5)6/h7-8H,1-6H3,(H,11,12,13)",C10H21N3OSi2,,,,,,IWEHUWMQLZFGLL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.120,241-948-7,18038-99-8,"1,4-bis[(2-bromo-4,6-dimethylphenyl)amino]anthraquinone","1,4-bis[(2-bromo-4,6-dimethylphenyl)amino]-9,10-anthraquinone",Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3Br)c4C(=O)c5ccccc5C(=O)c24)c(Br)c1,Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3Br)c4C(=O)c5ccccc5C(=O)c24)c(Br)c1,"InChI=1/C30H24Br2N2O2/c1-15-11-17(3)27(21(31)13-15)33-23-9-10-24(34-28-18(4)12-16(2)14-22(28)32)26-25(23)29(35)19-7-5-6-8-20(19)30(26)36/h5-14,33-34H,1-4H3",C30H24Br2N2O2,,,,,,FKLIVBYKZWBUHT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.122,241-950-8,18039-42-4,5-phenyl-1H-tetrazole,5-phenyl-1H-tetrazole,c1ccc(cc1)c2nnn[nH]2,c1ccc(cc1)c2nnn[nH]2,"InChI=1/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)",C7H6N4,,,,,,MARUHZGHZWCEQU-UHFFFAOYSA-N,Positive,SM836801,[M+H]+,HCD35,104.0494:147.0664:119.0603,CASMI_2016,,,,,
100.033.000,236-315-7,13294-23-0,Bis[(trimethylsilyl)methyl]mercury,bis[(trimethylsilyl)methyl]mercury,C[Si](C)(C)C[Hg]C[Si](C)(C)C,C[Si](C)(C)C[Hg]C[Si](C)(C)C,"InChI=1/2C4H11Si.Hg/c2*1-5(2,3)4;/h2*1H2,2-4H3;/rC8H22HgSi2/c1-10(2,3)7-9-8-11(4,5)6/h7-8H2,1-6H3",C8H22HgSi2,,,,,,UQOFJLBRRNSQKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.002,236-317-8,13296-76-9,"Octadeca-9-cis, 11-trans, 13-trans-trienoic acid","octadeca-9,11,13-trienoic acid",CCCCC=CC=CC=CCCCCCCCC(=O)O,CCCCC=CC=CC=CCCCCCCCC(=O)O,"InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)",C18H30O2,,,,,,CUXYLFPMQMFGPL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.004,236-319-9,13297-07-9,"2-(2-chloroethyl)-1,3-dioxane","2-(2-chloroethyl)-1,3-dioxane",ClCCC1OCCCO1,ClCCC1OCCCO1,"InChI=1/C6H11ClO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2",C6H11ClO2,,,,,,IOEDYYKJRCADRS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.011,236-327-2,13302-67-5,"Naphthalene-1,2,4-triol","naphthalene-1,2,4-triol",Oc1cc(O)c2ccccc2c1O,Oc1cc(O)c2ccccc2c1O,"InChI=1/C10H8O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11-13H",C10H8O3,,,,,,ZRJPJJSLXARURS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.013,236-329-3,13305-29-8,a-methylbicyclo[2.2.1]heptane-2-methanol,1-bicyclo[2.2.1]hept-2-ylethanol,CC(O)C1CC2CCC1C2,CC(O)C1CC2CCC1C2,"InChI=1/C9H16O/c1-6(10)9-5-7-2-3-8(9)4-7/h6-10H,2-5H2,1H3",C9H16O,,,,,,BTAZDKRYLLXTRA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.259,242-101-4,18220-90-1,4-ethylbenzophenone,(4-ethylphenyl)(phenyl)methanone,CCc1ccc(cc1)C(=O)c2ccccc2,CCc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3",C15H14O,,,,,,IJUPTKULISHEID-UHFFFAOYSA-N,,,,,,,,,,,
100.038.263,242-106-1,18228-17-6,N-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide,3-[(4-chlorophenyl)carbamoyl]-2-naphthyl dihydrogen phosphate,OP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3,OP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3,"InChI=1/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)",C17H13ClNO5P,,,,,,RQAQWBFHPMSXKR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.272,242-116-6,18240-51-2,"N,N-dibutyl-2-ethylhexylamine","N,N-dibutyl-2-ethylhexan-1-amine",CCCCC(CC)CN(CCCC)CCCC,CCCCC(CC)CN(CCCC)CCCC,"InChI=1/C16H35N/c1-5-9-12-16(8-4)15-17(13-10-6-2)14-11-7-3/h16H,5-15H2,1-4H3",C16H35N,,,,,,HVKQOPBXSVRTFF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.278,242-122-9,18245-94-8,Bicyclo[2.2.1]hept-5-en-2-yldichloromethylsilane,[bicyclo[2.2.1]hept-5-en-2-yl(dichloro)methyl]silane,[SiH3]C(Cl)(Cl)C1CC2CC1C=C2,[SiH3]C(Cl)(Cl)C1CC2CC1C=C2,"InChI=1/C8H12Cl2Si/c9-8(10,11)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,11H3",C8H12Cl2Si,,,,,,VWSLJNLILIVJEA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.280,242-125-5,18248-94-7,1-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide,"1-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium iodide",[I-].CC[n+]3c4ccccc4ccc3C=CC=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=CC=C2Sc1ccccc1N2CC,"InChI=1/C23H23N2S.HI/c1-3-24-19(17-16-18-10-5-6-12-20(18)24)11-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2S.I,,,,,,BVQXBEQHQTXMEV-UHFFFAOYSA-M,,,,,,,,,,,
100.038.281,242-126-0,18249-12-2,"Hydrogen [4-[[4-(dimethylamino)phenyl](3,6-disulphonato-1-naphthyl)methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium","4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3cc(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3cc(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C27H26N2O6S2/c1-28(2)21-9-5-18(6-10-21)27(19-7-11-22(12-8-19)29(3)4)26-17-24(37(33,34)35)16-20-15-23(36(30,31)32)13-14-25(20)26/h5-17H,1-4H3,(H-,30,31,32,33,34,35)/p-1",C27H26N2O6S2,,,,,,QTAWOJMFARURQW-UHFFFAOYSA-M,,,,,,,,,,,
100.038.282,242-127-6,18250-63-0,(Z)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate,3-(dimethylamino)-1-methyl-3-oxoprop-1-en-1-yl dimethyl phosphate,COP(=O)(OC)O\\C(=C/C(=O)N(C)C)\\C,COP(=O)(OC)O\C(=C/C(=O)N(C)C)\C,"InChI=1/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3",C8H16NO5P,,,,,,VEENJGZXVHKXNB-SREVYHEPSA-N,,,,,,,,,,,
100.038.285,242-130-2,18259-42-2,2-amino-4'-hydroxypropiophenone,2-amino-1-(4-hydroxyphenyl)propan-1-one,CC(N)C(=O)c1ccc(O)cc1,CC(N)C(=O)c1ccc(O)cc1,"InChI=1/C9H11NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,11H,10H2,1H3",C9H11NO2,,,,,,GWCBLDBOWRUFCD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.286,242-131-8,18261-27-3,"2,2,2-trichloro-1-ethoxyethyl ethyl carbonate","ethyl 2,2,2-trichloro-1-ethoxyethyl carbonate",CCOC(OC(=O)OCC)C(Cl)(Cl)Cl,CCOC(OC(=O)OCC)C(Cl)(Cl)Cl,"InChI=1/C7H11Cl3O4/c1-3-12-5(7(8,9)10)14-6(11)13-4-2/h5H,3-4H2,1-2H3",C7H11Cl3O4,,,,,,PDKPYZSLHWQFNU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.154,237-584-3,13851-06-4,"2,5,7-trimethyl-2-decene-6,8-dione","4,6,9-trimethyldec-8-ene-3,5-dione",CCC(=O)C(C)C(=O)C(C)CC=C(C)C,CCC(=O)C(C)C(=O)C(C)CC=C(C)C,"InChI=1/C13H22O2/c1-6-12(14)11(5)13(15)10(4)8-7-9(2)3/h7,10-11H,6,8H2,1-5H3",C13H22O2,,,,,,IJGCQHHZHDMDOD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.155,237-585-9,13851-07-5,"2,5,7,9-tetramethyl-2-decene-6,8-dione","2,4,6,9-tetramethyldec-8-ene-3,5-dione",CC(C)C(=O)C(C)C(=O)C(C)CC=C(C)C,CC(C)C(=O)C(C)C(=O)C(C)CC=C(C)C,"InChI=1/C14H24O2/c1-9(2)7-8-11(5)14(16)12(6)13(15)10(3)4/h7,10-12H,8H2,1-6H3",C14H24O2,,,,,,VNEFXHWAHYWLHU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.157,237-588-5,13851-11-1,"3,3-dimethyl-8,9-dinorbornan-2-yl acetate","1,3,3-trimethylbicyclo[2.2.1]hept-2-yl acetate",CC(=O)OC1C(C)(C)C2CCC1(C)C2,CC(=O)OC1C(C)(C)C2CCC1(C)C2,"InChI=1/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3",C12H20O2,,,,,,JUWUWIGZUVEFQB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.159,237-590-6,13852-81-8,4-chloro-2-nitrobenzenesulphonamide,4-chloro-2-nitrobenzenesulfonamide,NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-],NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C6H5ClN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13)",C6H5ClN2O4S,,,,,,QOQQUXGKXVOXTH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.160,237-591-1,13856-85-4,4-chloro-a-ethylbenzyl alcohol,1-(4-chlorophenyl)propan-1-ol,CCC(O)c1ccc(Cl)cc1,CCC(O)c1ccc(Cl)cc1,"InChI=1/C9H11ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3",C9H11ClO,,,,,,TXAWBKBMGZKBNN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.165,237-596-9,13859-62-6,Ammonium pentafluorozirconate(1-),ammonium pentafluorozirconate(1-),[NH4+].F[Zr-](F)(F)(F)F,[NH4+].F[Zr-](F)(F)(F)F,"InChI=1/5FH.H3N.Zr/h5*1H;1H3;/q;;;;;;+4/p-4/rF5Zr.H3N/c1-6(2,3,4)5;/h;1H3/q-1;/p+1",F5Zr.H4N,,,,,,KVBSMFZSUQTUOE-UHFFFAOYSA-J,,,,,,,,,,,
100.046.054,250-676-8,31522-06-2,"5-amino-2,4-dihydro-4-methyl-2-[4-(methylsulphonyl)phenyl]-3H-pyrazol-3-one","5-amino-4-methyl-2-[4-(methylsulfonyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one",CC1C(=NN(C1=O)c2ccc(cc2)S(=O)(=O)C)N,CC1C(=NN(C1=O)c2ccc(cc2)S(=O)(=O)C)N,"InChI=1/C11H13N3O3S/c1-7-10(12)13-14(11(7)15)8-3-5-9(6-4-8)18(2,16)17/h3-7H,1-2H3,(H2,12,13)",C11H13N3O3S,,,,,,GAWHRVNMHWCETC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.058,250-681-5,31522-24-4,"3-(m-aminophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxopropionamide","3-(3-aminophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxopropanamide",COc1cc(NC(=O)CC(=O)c2cccc(N)c2)c(OC)cc1Cl,COc1cc(NC(=O)CC(=O)c2cccc(N)c2)c(OC)cc1Cl,"InChI=1/C17H17ClN2O4/c1-23-15-8-13(16(24-2)7-12(15)18)20-17(22)9-14(21)10-4-3-5-11(19)6-10/h3-8H,9,19H2,1-2H3,(H,20,22)",C17H17ClN2O4,,,,,,ZBCHZFVYNMECCF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.061,250-684-1,31529-83-6,"1,5-diamino-4,8-dihydroxy(4-hydroxyphenyl)anthraquinone","1,5-diamino-4,8-dihydroxy-2-(4-hydroxyphenyl)-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)c(cc(O)c3C(=O)c12)c4ccc(O)cc4,Nc1ccc(O)c2C(=O)c3c(N)c(cc(O)c3C(=O)c12)c4ccc(O)cc4,"InChI=1/C20H14N2O5/c21-11-5-6-12(24)15-14(11)19(26)16-13(25)7-10(18(22)17(16)20(15)27)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2",C20H14N2O5,,,,,,OXLITIGRBOEDEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.769,245-961-9,23976-66-1,"2-(2,4,6-tribromophenoxy)ethanol","2-(2,4,6-tribromophenoxy)ethanol",OCCOc1c(Br)cc(Br)cc1Br,OCCOc1c(Br)cc(Br)cc1Br,"InChI=1/C8H7Br3O2/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,12H,1-2H2",C8H7Br3O2,,,,,,GXNDUUQGAZRKDB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.770,245-962-4,23978-09-8,"4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane","4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane",C1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1,C1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1,InChI=1/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2,C18H36N2O6,,,,,,AUFVJZSDSXXFOI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.775,245-968-7,23981-48-8,Methyl 6-methoxynaphthalene-2-acetate,methyl (6-methoxy-2-naphthyl)acetate,COC(=O)Cc1ccc2cc(OC)ccc2c1,COC(=O)Cc1ccc2cc(OC)ccc2c1,"InChI=1/C14H14O3/c1-16-13-6-5-11-7-10(8-14(15)17-2)3-4-12(11)9-13/h3-7,9H,8H2,1-2H3",C14H14O3,,,,,,NWIMPGMAVYLECN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.777,245-970-8,23983-43-9,3ß-hydroxyandrost-5-en-17-one heptanoate,17-oxoandrost-5-en-3-yl heptanoate,CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1,CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1,"InChI=1/C26H40O3/c1-4-5-6-7-8-24(28)29-19-13-15-25(2)18(17-19)9-10-20-21-11-12-23(27)26(21,3)16-14-22(20)25/h9,19-22H,4-8,10-17H2,1-3H3",C26H40O3,,,,,,HHENOUDBWKNPAB-BNCSLUSBSA-N,,,,,,,,,,,
100.041.782,245-976-0,23996-55-6,2-methyl-1H-imidazole-1-propiononitrile,3-(2-methyl-1H-imidazol-1-yl)propanenitrile,Cc1nccn1CCC#N,Cc1nccn1CCC#N,"InChI=1/C7H9N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2,5H2,1H3",C7H9N3,,,,,,SESYNEDUKZDRJL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.787,245-981-8,24014-78-6,"3-[(1-butyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolyl)azo]-5-chloro-2-hydroxybenzenesulphonic acid","3-[(1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid",OS(=O)(=O)c3cc(Cl)cc(N=N\\C2=C(/O)c1ccccc1N(CCCC)C2=O)c3O,OS(=O)(=O)c3cc(Cl)cc(N=N\C2=C(/O)c1ccccc1N(CCCC)C2=O)c3O,"InChI=1/C19H18ClN3O6S/c1-2-3-8-23-14-7-5-4-6-12(14)17(24)16(19(23)26)22-21-13-9-11(20)10-15(18(13)25)30(27,28)29/h4-7,9-10,24-25H,2-3,8H2,1H3,(H,27,28,29)",C19H18ClN3O6S,,,,,,CDBCJUOSCZAERS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.788,245-982-3,24015-80-3,4-benzyl-3-methylpyridine,4-benzyl-3-methylpyridine,Cc1cnccc1Cc2ccccc2,Cc1cnccc1Cc2ccccc2,"InChI=1/C13H13N/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3",C13H13N,,,,,,AKEWMBWKZQYRNX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.790,245-984-4,24016-11-3,N-benzyl-3-benzyloxy-2-pyridone,1-benzyl-3-(benzyloxy)pyridin-2(1H)-one,O=C1N(Cc2ccccc2)C=CC=C1OCc3ccccc3,O=C1N(Cc2ccccc2)C=CC=C1OCc3ccccc3,"InChI=1/C19H17NO2/c21-19-18(22-15-17-10-5-2-6-11-17)12-7-13-20(19)14-16-8-3-1-4-9-16/h1-13H,14-15H2",C19H17NO2,,,,,,HMLBFYRJCGMNTI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.792,245-987-0,24019-46-3,Sodium bis(2-hydroxyethyl) 5-sulphonatoisophthalate,"sodium 3,5-bis[(2-hydroxyethoxy)carbonyl]benzenesulfonate",[Na+].OCCOC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)OCCO,[Na+].OCCOC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)OCCO,"InChI=1/C12H14O9S.Na/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1",C12H14O9S.Na,,,,,,YZLGIRGCZODDCE-UHFFFAOYSA-M,,,,,,,,,,,
100.043.179,247-513-8,26192-76-7,"4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid","4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid",OC(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,OC(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C16H13ClN2O2/c17-13-5-1-11(2-6-13)15-9-10-19(18-15)14-7-3-12(4-8-14)16(20)21/h1-8H,9-10H2,(H,20,21)",C16H13ClN2O2,,,,,,NNPXVOKLLUQZCH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.180,247-514-3,26196-04-3,"3-methoxy-2,2-dimethyloxirane","3-methoxy-2,2-dimethyloxirane",COC1OC1(C)C,COC1OC1(C)C,"InChI=1/C5H10O2/c1-5(2)4(6-3)7-5/h4H,1-3H3",C5H10O2,,,,,,FPKWGRVMLLIFSY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.183,247-518-5,26206-78-0,"3'-chloro-6'-(cyclohexylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3'-chloro-6'-(cyclohexylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Clc1ccc2c(Oc3cc(NC4CCCCC4)ccc3C25OC(=O)c6ccccc56)c1,Clc1ccc2c(Oc3cc(NC4CCCCC4)ccc3C25OC(=O)c6ccccc56)c1,"InChI=1/C26H22ClNO3/c27-16-10-12-21-23(14-16)30-24-15-18(28-17-6-2-1-3-7-17)11-13-22(24)26(21)20-9-5-4-8-19(20)25(29)31-26/h4-5,8-15,17,28H,1-3,6-7H2",C26H22ClNO3,,,,,,RDQSNMHMCMDRHU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.185,247-520-6,26215-92-9,Tridecan-4-ol,tridecan-4-ol,CCCCCCCCCC(O)CCC,CCCCCCCCCC(O)CCC,"InChI=1/C13H28O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13-14H,3-12H2,1-2H3",C13H28O,,,,,,VHNLHPIEIIHMHH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.188,247-523-2,26219-05-6,1-amino-4-hydroxy-2-[2-(4-methylphenoxy)ethoxy]anthraquinone,"1-amino-4-hydroxy-2-[2-(4-methylphenoxy)ethoxy]-9,10-anthraquinone",Cc1ccc(OCCOc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,Cc1ccc(OCCOc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C23H19NO5/c1-13-6-8-14(9-7-13)28-10-11-29-18-12-17(25)19-20(21(18)24)23(27)16-5-3-2-4-15(16)22(19)26/h2-9,12,25H,10-11,24H2,1H3",C23H19NO5,,,,,,SMEDYRMOLZVXSL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.200,247-536-3,26248-24-8,Sodium tridecylbenzenesulphonate,sodium 4-tridecylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(CCCCCCCCCCCCC)cc1,[Na+].[O-]S(=O)(=O)c1ccc(CCCCCCCCCCCCC)cc1,"InChI=1/C19H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22;/h14-17H,2-13H2,1H3,(H,20,21,22);/q;+1/p-1",C19H32O3S.Na,,,,,,DUXXGJTXFHUORE-UHFFFAOYSA-M,,,,,,,,,,,
100.039.911,243-918-9,20611-11-4,1-mercaptododecan-2-ol,1-sulfanyldodecan-2-ol,CCCCCCCCCCC(O)CS,CCCCCCCCCCC(O)CS,"InChI=1/C12H26OS/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12-14H,2-11H2,1H3",C12H26OS,,,,,,GGMUJCCSBRQVTP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.917,243-925-7,20626-39-5,"Diethyl (Z,Z)-3,3'-thiobisacrylate","diethyl 3,3'-sulfanediylbisacrylate",CCOC(=O)\\C=C/S\\C=C/C(=O)OCC,CCOC(=O)\C=C/S\C=C/C(=O)OCC,"InChI=1/C10H14O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h5-8H,3-4H2,1-2H3",C10H14O4S,,,,,,WXIVZEGISIHXKT-SFECMWDFSA-N,,,,,,,,,,,
100.039.919,243-927-8,20628-36-8,"Tetrahydro-4,6,6-trimethyl-2H-pyran-2-one","4,6,6-trimethyltetrahydro-2H-pyran-2-one",CC1CC(=O)OC(C)(C)C1,CC1CC(=O)OC(C)(C)C1,"InChI=1/C8H14O2/c1-6-4-7(9)10-8(2,3)5-6/h6H,4-5H2,1-3H3",C8H14O2,,,,,,LEEUQHSCWHVZQP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.922,243-930-4,20634-52-0,Octadecyl 3-amino-2-butenoate,octadecyl 3-aminobut-2-enoate,CC(N)=CC(=O)OCCCCCCCCCCCCCCCCCC,CC(N)=CC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C22H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(24)20-21(2)23/h20H,3-19,23H2,1-2H3",C22H43NO2,,,,,,IKUBTICTFSSHQW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.923,243-932-5,20636-41-3,"Pyrimidine-2,4,5-triol","pyrimidine-2,4,5-triol",Oc1ncc(O)c(O)n1,Oc1ncc(O)c(O)n1,"InChI=1/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)",C4H4N2O3,,,,,,OFJNVANOCZHTMW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.929,243-938-8,20648-91-3,Dipotassium tetrachlorocadmate(2-),dipotassium tetrachlorocadmate(2-),[K+].[K+].Cl[Cd-2](Cl)(Cl)Cl,[K+].[K+].Cl[Cd-2](Cl)(Cl)Cl,"InChI=1/Cd.4ClH.2K/h;4*1H;;/q+2;;;;;2*+1/p-4/rCdCl4.2K/c2-1(3,4)5;;/q-2;2*+1",CdCl4.2K,,,,,,PFHUGWGQVBBSMN-UHFFFAOYSA-J,,,,,,,,,,,
100.039.931,243-940-9,20651-71-2,4-butylbenzoic acid,4-butylbenzoic acid,CCCCc1ccc(cc1)C(=O)O,CCCCc1ccc(cc1)C(=O)O,"InChI=1/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)",C11H14O2,,,,,,JFKUBRAOUZEZSL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.932,243-941-4,20651-75-6,1-butyl-4-nitrobenzene,1-butyl-4-nitrobenzene,CCCCc1ccc(cc1)[N+](=O)[O-],CCCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H13NO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3",C10H13NO2,,,,,,JZRBCNLSIDKBMG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.933,243-943-5,20651-76-7,1-butyl-3-nitrobenzene,1-butyl-3-nitrobenzene,CCCCc1cccc(c1)[N+](=O)[O-],CCCCc1cccc(c1)[N+](=O)[O-],"InChI=1/C10H13NO2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h4,6-8H,2-3,5H2,1H3",C10H13NO2,,,,,,INMYTBBXRJWIOA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.937,243-947-7,20661-21-6,Indium trihydroxide,indium trihydroxide,[OH-].[OH-].[OH-].[In+3],[OH-].[OH-].[OH-].[In+3],InChI=1/In.3H2O/h;3*1H2/q+3;;;/p-3,H3InO3,,,,,,IGUXCTSQIGAGSV-UHFFFAOYSA-K,,,,,,,,,,,
100.039.939,243-949-8,20662-52-6,"4,4-bis(4-fluorophenyl)butyric acid","4,4-bis(4-fluorophenyl)butanoic acid",OC(=O)CCC(c1ccc(F)cc1)c2ccc(F)cc2,OC(=O)CCC(c1ccc(F)cc1)c2ccc(F)cc2,"InChI=1/C16H14F2O2/c17-13-5-1-11(2-6-13)15(9-10-16(19)20)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2,(H,19,20)",C16H14F2O2,,,,,,CZNWJIAAVVXYFS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.014,236-330-9,13305-94-7,"Trisodium 3-[4-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-1,5-disulphonate","trisodium 3-[4-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Nc1nc(nc(Cl)n1)Nc5cc(N=NC4C(\\C)=N/N(c2cc(c3cccc(c3c2)S([O-])(=O)=O)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].Nc1nc(nc(Cl)n1)Nc5cc(N=NC4C(\C)=N/N(c2cc(c3cccc(c3c2)S([O-])(=O)=O)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,"InChI=1/C23H18ClN9O10S3.3Na/c1-10-19(31-30-15-7-11(5-6-17(15)45(38,39)40)26-23-28-21(24)27-22(25)29-23)20(34)33(32-10)12-8-14-13(18(9-12)46(41,42)43)3-2-4-16(14)44(35,36)37;;;/h2-9,19H,1H3,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H3,25,26,27,28,29);;;/q;3*+1/p-3",C23H18ClN9O10S3.3Na,,,,,,AAMYCVULITZDFH-UHFFFAOYSA-K,,,,,,,,,,,
100.033.017,236-334-0,13307-61-4,Isobutylthiobenzene,(isobutylsulfanyl)benzene,CC(C)CSc1ccccc1,CC(C)CSc1ccccc1,"InChI=1/C10H14S/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C10H14S,,,,,,UQRLAGGSKUVKMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.018,236-335-6,13307-67-0,Ethyl 1H-indole-1-carboxylate,ethyl 1H-indole-1-carboxylate,CCOC(=O)n1ccc2ccccc12,CCOC(=O)n1ccc2ccccc12,"InChI=1/C11H11NO2/c1-2-14-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3",C11H11NO2,,,,,,OEXNQFWEJRSZBW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.021,236-338-2,13310-75-3,2-propylvaleronitrile,2-propylpentanenitrile,CCCC(CCC)C#N,CCCC(CCC)C#N,"InChI=1/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3",C8H15N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17047,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.021,YCBOPMITSGZJDX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.023,236-340-3,13311-72-3,"4-bromo-2,3,6-trichlorophenol","4-bromo-2,3,6-trichlorophenol",Oc1c(Cl)cc(Br)c(Cl)c1Cl,Oc1c(Cl)cc(Br)c(Cl)c1Cl,"InChI=1/C6H2BrCl3O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H",C6H2BrCl3O,,,,,,QXTYKQOYAPZQOA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.026,236-344-5,13314-52-8,Dichlorodiethylgermane,dichloro(diethyl)germane,CC[Ge](Cl)(Cl)CC,CC[Ge](Cl)(Cl)CC,"InChI=1/C4H10Cl2Ge/c1-3-7(5,6)4-2/h3-4H2,1-2H3",C4H10Cl2Ge,,,,,,BWUPRNSPZFPYEK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.645,239-226-1,15176-29-1,Edoxudine,2'-deoxy-5-ethyluridine,CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)",C11H16N2O5,,,,,,XACKNLSZYYIACO-DJLDLDEBSA-N,,,,,,,,,,,
100.035.649,239-230-3,15181-11-0,"3,5-bis(tert-butyl)toluene","1,3-di-tert-butyl-5-methylbenzene",Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C,Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C15H24/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h8-10H,1-7H3",C15H24,,,,,,WIXDSJRJFDWTNY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.655,239-237-1,15185-43-0,"3-ethyl-2-[7-(3-ethyl-3H-benzoxazol-2-ylidene)hepta-1,3,5-trienyl]benzoxazolium iodide","3-ethyl-2-[7-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4ccccc4oc3C=CC=CC=CC=C2Oc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4oc3C=CC=CC=CC=C2Oc1ccccc1N2CC,"InChI=1/C25H25N2O2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",C25H25N2O2.I,,,,,,UZLDSPSTABQEQP-UHFFFAOYSA-M,,,,,,,,,,,
100.035.659,239-241-3,15189-51-2,Sodium tetrachloroaurate,sodium tetrachloroaurate(1-),[Na+].Cl[Au-](Cl)(Cl)Cl,[Na+].Cl[Au-](Cl)(Cl)Cl,"InChI=1/Au.4ClH.Na/h;4*1H;/q+3;;;;;+1/p-4/rAuCl4.Na/c2-1(3,4)5;/q-1;+1",AuCl4.Na,,,,,,IXPWAPCEBHEFOV-UHFFFAOYSA-J,,,,,,,,,,,
100.035.660,239-242-9,15190-10-0,Morpholino(phenyl)acetonitrile,morpholin-4-yl(phenyl)acetonitrile,N#CC(N1CCOCC1)c2ccccc2,N#CC(N1CCOCC1)c2ccccc2,"InChI=1/C12H14N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-9H2",C12H14N2O,,,,,,MWZPYQLYZXTCLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.669,239-252-3,15196-52-8,"2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]propane-1,3-diyl distearate","2,2-bis[(stearoyloxy)methyl]butyl stearate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C60H116O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-56H2,1-4H3",C60H116O6,,,,,,PDDAEITXZXSQGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.670,239-253-9,15198-07-9,2-hydroxy-3-methylbenzoyl chloride,2-hydroxy-3-methylbenzoyl chloride,Cc1cccc(C(=O)Cl)c1O,Cc1cccc(C(=O)Cl)c1O,"InChI=1/C8H7ClO2/c1-5-3-2-4-6(7(5)10)8(9)11/h2-4,10H,1H3",C8H7ClO2,,,,,,QCAVJPCWLHJDBR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.676,239-260-7,15205-65-9,"Sodium 4-hydroxy-3,5-dimethylbenzenesulphonate","sodium 4-hydroxy-3,5-dimethylbenzenesulfonate",[Na+].Cc1cc(cc(C)c1O)S(=O)(=O)[O-],[Na+].Cc1cc(cc(C)c1O)S(=O)(=O)[O-],"InChI=1/C8H10O4S.Na/c1-5-3-7(13(10,11)12)4-6(2)8(5)9;/h3-4,9H,1-2H3,(H,10,11,12);/q;+1/p-1",C8H10O4S.Na,,,,,,SOTZTDVEALQINY-UHFFFAOYSA-M,,,,,,,,,,,
100.035.677,239-261-2,15205-66-0,2-(methylsulphonyl)ethanol,2-(methylsulfonyl)ethanol,CS(=O)(=O)CCO,CS(=O)(=O)CCO,"InChI=1/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3",C3H8O3S,,,,,,KFTYFTKODBWKOU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.683,239-268-0,15214-89-8,2-acrylamido-2-methylpropanesulphonic acid,2-(acryloylamino)-2-methylpropane-1-sulfonic acid,CC(C)(CS(=O)(=O)O)NC(=O)C=C,CC(C)(CS(=O)(=O)O)NC(=O)C=C,"InChI=1/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)",C7H13NO4S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15200,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.683,XHZPRMZZQOIPDS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.492,242-357-7,18472-93-0,Tin diphosphate,-,[Sn+4].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Sn+4].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2H3O4P.Sn/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+4/p-6",H4O7P2.Sn,,,,,,LRGKLCMGBJZMTB-UHFFFAOYSA-H,,,,,,,,,,,
100.034.170,237-603-5,13863-45-1,Ammonium sodium sulphate,ammonium sodium sulfate,[NH4+].[Na+].[O-]S(=O)(=O)[O-],[NH4+].[Na+].[O-]S(=O)(=O)[O-],"InChI=1/H3N.Na.H2O4S/c;;1-5(2,3)4/h1H3;;(H2,1,2,3,4)/q;+1;/p-1",H3N.H2O4S.Na,,,,,,PPISOKQRPRDLMC-UHFFFAOYSA-M,,,,,,,,,,,
100.034.178,237-611-9,13865-19-5,Methyl 4-oxobutyrate,methyl 4-oxobutanoate,COC(=O)CCC=O,COC(=O)CCC=O,"InChI=1/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3",C5H8O3,,,,,,DLZVZNAPRCRXEG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.182,237-616-6,13868-70-7,Trisodium hydrogen [(methylimino)dimethylene]diphosphonate,trisodium hydrogen [(methylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H11NO6P2.3Na/c1-4(2-11(5,6)7)3-12(8,9)10;;;/h2-3H2,1H3,(H2,5,6,7)(H2,8,9,10);;;/q;3*+1/p-4",C3H11NO6P2.3Na,,,,,,MIEXMTGLZIWATN-UHFFFAOYSA-J,,,,,,,,,,,
100.034.183,237-617-1,13869-30-2,"[N-(carboxymethyl)glycinato-N,O,ON]cobalt","[2,2'-(imino-kappaN)diacetato(2-)]cobalt",OC(=O)CN1CC(=O)O[Co]1,OC(=O)CN1CC(=O)O[Co]1,"InChI=1/C4H6NO4.Co/c6-3(7)1-5-2-4(8)9;/h1-2H2,(H,6,7)(H,8,9);/q-1;+2/p-1/rC4H5CoNO4/c7-3(8)1-6-2-4(9)10-5-6/h1-2H2,(H,7,8)",C4H5CoNO4,,,,,,WCHCVVDGTSGGQL-UHFFFAOYSA-M,,,,,,,,,,,
100.034.189,237-623-4,13870-28-5,Disodium disilicate,disodium disilicate,[Na+].[Na+].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Na+].[Na+].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Na.2O3Si/c;;2*1-4(2)3/q2*+1;2*-2,H2O5Si2.2Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12375,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.189,LRHVWHCAHSWFMH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.128,240-858-5,16834-13-2,"5,10,15,20-tetra(4-pyridyl)-21H,23H-porphine","5,10,15,20-tetrapyridin-4-ylporphine",C1=CC2=NC1=C(C3=NC(=C(C4=NC(=C(C5=NC(=C2c6ccncc6)C=C5)c7ccncc7)C=C4)c8ccncc8)C=C3)c9ccncc9,C1=CC2=NC1=C(C3=NC(=C(C4=NC(=C(C5=NC(=C2c6ccncc6)C=C5)c7ccncc7)C=C4)c8ccncc8)C=C3)c9ccncc9,InChI=1/C40H24N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24H,C40H26N8,,,,,,BWSWKIKSPYAKAP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.132,240-862-7,16839-48-8,2-(2-allyloxy)ethyl methacrylate,2-(allyloxy)ethyl methacrylate,CC(=C)C(=O)OCCOCC=C,CC(=C)C(=O)OCCOCC=C,"InChI=1/C9H14O3/c1-4-5-11-6-7-12-9(10)8(2)3/h4H,1-2,5-7H2,3H3",C9H14O3,,,,,,ZCYIYBNDJKVCBR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.133,240-863-2,16839-97-7,2-methoxythiophene,2-methoxythiophene,COc1cccs1,COc1cccs1,"InChI=1/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3",C5H6OS,,,,,,OKEHURCMYKPVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.134,240-864-8,16840-84-9,Nonadecan-10-ol,nonadecan-10-ol,CCCCCCCCCC(O)CCCCCCCCC,CCCCCCCCCC(O)CCCCCCCCC,"InChI=1/C19H40O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3",C19H40O,,,,,,ACMBVSPXQQUNOF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.135,240-865-3,16841-14-8,Benzyldocosyldimethylammonium chloride,"N-benzyl-N,N-dimethyldocosan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C31H58N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32(2,3)30-31-27-24-23-25-28-31;/h23-25,27-28H,4-22,26,29-30H2,1-3H3;1H/q+1;/p-1",C31H58N.Cl,,,,,,BWNMWDJZWBEKKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.037.147,240-878-4,16854-32-3,"[S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol","2-amino-1-[4-(methylsulfanyl)phenyl]propane-1,3-diol",CSc1ccc(cc1)C(O)C(N)CO,CSc1ccc(cc1)C(O)C(N)CO,"InChI=1/C10H15NO2S/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3",C10H15NO2S,,,,,,IULJJGJXIGQINK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.150,240-882-6,16856-18-1,L-arginine 2-oxoglutarate,2-oxopentanedioic acid - L-arginine (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)CCC(=O)C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)CCC(=O)C(=O)O,"InChI=1/C6H14N4O2.C5H6O5/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H2,(H,7,8)(H,9,10)",C6H14N4O2.C5H6O5,,,,,,PGRNZHOQVAPMFX-WCCKRBBISA-N,,,,,,,,,,,
100.037.154,240-886-8,16867-03-1,2-aminopyridin-3-ol,2-aminopyridin-3-ol,Nc1ncccc1O,Nc1ncccc1O,"InChI=1/C5H6N2O/c6-5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,7)",C5H6N2O,,,,,,BMTSZVZQNMNPCT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.159,240-892-0,16868-55-6,5-[hexadecyl[(1-hydroxy-2-naphthyl)carbonyl]amino]isophthalic acid,5-[hexadecyl(1-hydroxy-2-naphthoyl)amino]isophthalic acid,CCCCCCCCCCCCCCCCN(C(=O)c1ccc2ccccc2c1O)c3cc(cc(c3)C(=O)O)C(=O)O,CCCCCCCCCCCCCCCCN(C(=O)c1ccc2ccccc2c1O)c3cc(cc(c3)C(=O)O)C(=O)O,"InChI=1/C35H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-36(29-24-27(34(39)40)23-28(25-29)35(41)42)33(38)31-21-20-26-18-15-16-19-30(26)32(31)37/h15-16,18-21,23-25,37H,2-14,17,22H2,1H3,(H,39,40)(H,41,42)",C35H45NO6,,,,,,BDMSVJPUZFZQNO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.175,240-909-1,16879-02-0,6-chloropyridin-2-ol,6-chloropyridin-2-ol,Oc1cccc(Cl)n1,Oc1cccc(Cl)n1,"InChI=1/C5H4ClNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)",C5H4ClNO,,,,,,CLNNBQDAAGDAHI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.531,238-001-5,14159-48-9,Propane-2-sulphonic acid,propane-2-sulfonic acid,CC(C)S(=O)(=O)O,CC(C)S(=O)(=O)O,"InChI=1/C3H8O3S/c1-3(2)7(4,5)6/h3H,1-2H3,(H,4,5,6)",C3H8O3S,,,,,,HNDXKIMMSFCCFW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.793,245-988-6,24019-80-5,"Disodium 4,4'-bis[(4-morpholino-6-o-toluidino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-methylphenyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].Cc1ccccc1Nc2nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6C)nc(n5)N7CCOCC7)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])nc(n2)N8CCOCC8,[Na+].[Na+].Cc1ccccc1Nc2nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6C)nc(n5)N7CCOCC7)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])nc(n2)N8CCOCC8,"InChI=1/C42H44N12O8S2.2Na/c1-27-7-3-5-9-33(27)45-39-47-37(49-41(51-39)53-17-21-61-22-18-53)43-31-15-13-29(35(25-31)63(55,56)57)11-12-30-14-16-32(26-36(30)64(58,59)60)44-38-48-40(46-34-10-6-4-8-28(34)2)52-42(50-38)54-19-23-62-24-20-54;;/h3-16,25-26H,17-24H2,1-2H3,(H,55,56,57)(H,58,59,60)(H2,43,45,47,49,51)(H2,44,46,48,50,52);;/q;2*+1/p-2",C42H44N12O8S2.2Na,,,,,,NPCQBBQZOWVQDB-YHPRVSEPSA-L,,,,,,,,,,,
100.041.797,245-992-8,24028-46-4,N-[2-(1-piperazinyl)ethyl]ethylenediamine,"N-(2-piperazin-1-ylethyl)ethane-1,2-diamine",NCCNCCN1CCNCC1,NCCNCCN1CCNCC1,"InChI=1/C8H20N4/c9-1-2-10-3-6-12-7-4-11-5-8-12/h10-11H,1-9H2",C8H20N4,,,,,,WBIWIXJUBVWKLS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.798,245-993-3,24030-00-0,4-methylthiophen-3-amine hydrochloride,4-methylthiophen-3-amine hydrochloride,Cl.Cc1cscc1N,Cl.Cc1cscc1N,"InChI=1/C5H7NS.ClH/c1-4-2-7-3-5(4)6;/h2-3H,6H2,1H3;1H",C5H7NS.ClH,,,,,,QQRODCVDMUHZCX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.806,246-002-7,24057-28-1,Pyridinium toluene-4-sulphonate,pyridinium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].c2cc[nH+]cc2,Cc1ccc(cc1)S(=O)(=O)[O-].c2cc[nH+]cc2,"InChI=1/C7H8O3S.C5H5N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,8,9,10);1-5H",C7H8O3S.C5H5N,,,,,,ZDYVRSLAEXCVBX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.807,246-003-2,24066-77-1,"Sodium (2,3-dihydroxypropyl) phthalate","sodium 2-[(2,3-dihydroxypropoxy)carbonyl]benzoate",[Na+].OCC(O)COC(=O)c1ccccc1C(=O)[O-],[Na+].OCC(O)COC(=O)c1ccccc1C(=O)[O-],"InChI=1/C11H12O6.Na/c12-5-7(13)6-17-11(16)9-4-2-1-3-8(9)10(14)15;/h1-4,7,12-13H,5-6H2,(H,14,15);/q;+1/p-1",C11H12O6.Na,,,,,,NUAKIGIJWXBIBL-UHFFFAOYSA-M,,,,,,,,,,,
100.041.810,246-006-9,24072-75-1,"5,6-dichlorobenzothiazol-2-amine","5,6-dichloro-1,3-benzothiazol-2-amine",Nc1nc2cc(Cl)c(Cl)cc2s1,Nc1nc2cc(Cl)c(Cl)cc2s1,"InChI=1/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)",C7H4Cl2N2S,,,,,,GHKHTBMTSUEBJD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.438,245-598-6,23349-86-2,3-chloro-2-methylpropyl(dimethyl)amine,"3-chloro-N,N,2-trimethylpropan-1-amine",CC(CCl)CN(C)C,CC(CCl)CN(C)C,"InChI=1/C6H14ClN/c1-6(4-7)5-8(2)3/h6H,4-5H2,1-3H3",C6H14ClN,,,,,,UGXACBBAXFABGT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.449,245-609-4,23359-62-8,2-butoxyethyl 2-(4-chloro-2-methylphenoxy)propionate,2-butoxyethyl 2-(4-chloro-2-methylphenoxy)propanoate,CCCCOCCOC(=O)C(C)Oc1ccc(Cl)cc1C,CCCCOCCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C16H23ClO4/c1-4-5-8-19-9-10-20-16(18)13(3)21-15-7-6-14(17)11-12(15)2/h6-7,11,13H,4-5,8-10H2,1-3H3",C16H23ClO4,,,,,,GWFGUAFFJVHZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.452,245-613-6,23363-88-4,N-(4-hydroxycyclohexyl)acetamide,N-(4-hydroxycyclohexyl)acetamide,CC(=O)NC1CCC(O)CC1,CC(=O)NC1CCC(O)CC1,"InChI=1/C8H15NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7-8,11H,2-5H2,1H3,(H,9,10)",C8H15NO2,,,,,,HWAFCRWGGRVEQL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.453,245-614-1,23364-04-7,Cyclohexen-3-ylglycine,N-cyclohex-2-en-1-ylglycine,OC(=O)CNC1CCCC=C1,OC(=O)CNC1CCCC=C1,"InChI=1/C8H13NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h2,4,7,9H,1,3,5-6H2,(H,10,11)",C8H13NO2,,,,,,PITWGLUDZGLTDB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.454,245-615-7,23368-55-0,Hydrogen 5-methyl-2-[2-[[5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium,"hydrogen 3-[5-methyl-2-(2-{[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene}butylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate",[H+].[O-]S(=O)(=O)CCC[n+]3c4cc(C)ccc4sc3C=C(CC)C=C2Sc1ccc(C)cc1N2CCCS([O-])(=O)=O,[H+].[O-]S(=O)(=O)CCC[n+]3c4cc(C)ccc4sc3C=C(CC)C=C2Sc1ccc(C)cc1N2CCCS([O-])(=O)=O,"InChI=1/C27H32N2O6S4.H2/c1-4-21(17-26-28(11-5-13-38(30,31)32)22-15-19(2)7-9-24(22)36-26)18-27-29(12-6-14-39(33,34)35)23-16-20(3)8-10-25(23)37-27;/h7-10,15-18H,4-6,11-14H2,1-3H3,(H-,30,31,32,33,34,35);1H/q;+1/p-1",C27H32N2O6S4,,,,,,OCKFAYCPGGIZTF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.456,245-617-8,23370-68-5,"2,4-dioxo-1,3-diazetidine-1,3-diylbis[methylene(1,5,5-trimethylcyclohexane-1,3-diyl)] diisocyanate","1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione",CC1(C)CC(CC(C)(CN2C(=O)N(CC3(C)CC(CC(C)(C)C3)N=C=O)C2=O)C1)N=C=O,CC1(C)CC(CC(C)(CN2C(=O)N(CC3(C)CC(CC(C)(C)C3)N=C=O)C2=O)C1)N=C=O,"InChI=1/C24H36N4O4/c1-21(2)7-17(25-15-29)9-23(5,11-21)13-27-19(31)28(20(27)32)14-24(6)10-18(26-16-30)8-22(3,4)12-24/h17-18H,7-14H2,1-6H3",C24H36N4O4,,,,,,RVJCLQNZJHNSIT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.461,245-623-0,23382-00-5,Potassium hydrogen dipropionate,potassium hydrogen dipropanoate,[K+].CCC(=O)[O-].CCC(=O)[O-],[K+].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.K/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+1/p-2",C3H6O2.1/2K,,,,,,UNTOVVPYDPRUQE-UHFFFAOYSA-L,,,,,,,,,,,
100.041.462,245-624-6,23382-12-9,2-aminoethanol hydrobromide,2-aminoethanol hydrobromide,Br.NCCO,Br.NCCO,"InChI=1/C2H7NO.BrH/c3-1-2-4;/h4H,1-3H2;1H",C2H7NO.BrH,,,,,,IKJAVHKRVPYFOD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.468,245-630-9,23389-75-5,a-methylpyridine-4-methanol,1-pyridin-4-ylethanol,CC(O)c1ccncc1,CC(O)c1ccncc1,"InChI=1/C7H9NO/c1-6(9)7-2-4-8-5-3-7/h2-6,9H,1H3",C7H9NO,,,,,,HVOAMIOKNARIMR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.471,245-634-0,23399-88-4,"2,4,6-trichlorophenetole","1,3,5-trichloro-2-ethoxybenzene",CCOc1c(Cl)cc(Cl)cc1Cl,CCOc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C8H7Cl3O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3",C8H7Cl3O,,,,,,GYDFVBYBCDOBFE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.941,243-951-9,20662-57-1,"4,5-dihydroxy-1-(hydroxymethyl)imidazolidin-2-one","4,5-dihydroxy-1-(hydroxymethyl)imidazolidin-2-one",OCN1C(O)C(O)NC1=O,OCN1C(O)C(O)NC1=O,"InChI=1/C4H8N2O4/c7-1-6-3(9)2(8)5-4(6)10/h2-3,7-9H,1H2,(H,5,10)",C4H8N2O4,,,,,,SYPNXFTUXUIACQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.945,243-956-6,20665-85-4,4-formyl-2-methoxyphenyl isobutyrate,4-formyl-2-methoxyphenyl 2-methylpropanoate,COc1cc(C=O)ccc1OC(=O)C(C)C,COc1cc(C=O)ccc1OC(=O)C(C)C,"InChI=1/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3",C12H14O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18694,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.945,BGKAKRUFBSTALK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.948,243-959-2,20676-64-6,Dimethyl-p-tolylphosphine,dimethyl(4-methylphenyl)phosphine,CP(C)c1ccc(C)cc1,CP(C)c1ccc(C)cc1,"InChI=1/C9H13P/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3",C9H13P,,,,,,SBKKNXWJUVBJKE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.949,243-960-8,20677-73-0,"(2,2-diethoxyethyl)methylamine","2,2-diethoxy-N-methylethanamine",CCOC(CNC)OCC,CCOC(CNC)OCC,"InChI=1/C7H17NO2/c1-4-9-7(6-8-3)10-5-2/h7-8H,4-6H2,1-3H3",C7H17NO2,,,,,,GHTDAXTYNRRXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.952,243-963-4,20680-10-8,1-(1-ethoxyethoxy)propane,1-(1-ethoxyethoxy)propane,CCCOC(C)OCC,CCCOC(C)OCC,"InChI=1/C7H16O2/c1-4-6-9-7(3)8-5-2/h7H,4-6H2,1-3H3",C7H16O2,,,,,,XKPTXCDASJWOLK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.953,243-965-5,20680-48-2,"3-diazo-3,4-dihydro-4-oxonaphthalene-1-sulphonic acid","3-diazo-4-oxo-3,4-dihydronaphthalene-1-sulfonic acid",OS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc12,OS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc12,"InChI=1/C10H6N2O4S/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13/h1-5H,(H,14,15,16)",C10H6N2O4S,,,,,,WUCDFJQVKORCRA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.585,243-559-8,20171-06-6,"1-amino-N-butyl-9,10-dihydro-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide","1-amino-N-butyl-4-(methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide",CCCCNC(=O)c1cc(NC)c2C(=O)c3ccccc3C(=O)c2c1N,CCCCNC(=O)c1cc(NC)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C20H21N3O3/c1-3-4-9-23-20(26)13-10-14(22-2)15-16(17(13)21)19(25)12-8-6-5-7-11(12)18(15)24/h5-8,10,22H,3-4,9,21H2,1-2H3,(H,23,26)",C20H21N3O3,,,,,,UNEWTZKBSHBFEM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.588,243-562-4,20174-68-9,4-methylbenzothiazol-2(3H)-one hydrazone,"2-hydrazono-4-methyl-2,3-dihydro-1,3-benzothiazole",Cc1cccc2SC(Nc12)=NN,Cc1cccc2SC(Nc12)=NN,"InChI=1/C8H9N3S/c1-5-3-2-4-6-7(5)10-8(11-9)12-6/h2-4H,9H2,1H3,(H,10,11)",C8H9N3S,,,,,,DYWNRVWOUASMDT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.590,243-565-0,20179-08-2,"p-[[1-amino-4-hydroxy-9,10-dioxo-9,10-dihydro-2-anthryl]oxy]phenyl acetate","4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]phenyl acetate",CC(=O)Oc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,CC(=O)Oc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C22H15NO6/c1-11(24)28-12-6-8-13(9-7-12)29-17-10-16(25)18-19(20(17)23)22(27)15-5-3-2-4-14(15)21(18)26/h2-10,25H,23H2,1H3",C22H15NO6,,,,,,FQNOCNXTYADZSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.592,243-567-1,20182-55-2,"Disodium 4,4'-bis[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].Nc1nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(N)nc(n4)N(CCO)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(CCO)CCO,[Na+].[Na+].Nc1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(N)nc(n4)N(CCO)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(CCO)CCO,"InChI=1/C28H36N12O10S2.2Na/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44;;/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H3,29,31,33,35,37)(H3,30,32,34,36,38);;/q;2*+1/p-2",C28H36N12O10S2.2Na,,,,,,PDHPQRWCNQYKMJ-SEPHDYHBSA-L,,,,,,,,,,,
100.039.593,243-568-7,20185-96-0,2-pyrrolidin-1-ylethyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate hydrochloride,2-pyrrolidin-1-ylethyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate hydrochloride,Cl.O=C(OCCN1CCCC1)C2(CC3CCC2C3)c4ccccc4,Cl.O=C(OCCN1CCCC1)C2(CC3CCC2C3)c4ccccc4,"InChI=1/C20H27NO2.ClH/c22-19(23-13-12-21-10-4-5-11-21)20(17-6-2-1-3-7-17)15-16-8-9-18(20)14-16;/h1-3,6-7,16,18H,4-5,8-15H2;1H",C20H27NO2.ClH,,,,,,YFEDLOXYMYYJLF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.596,243-571-3,20190-03-8,Cyclohexylammonium cyclohexylcarbamate,cyclohexanaminium cyclohexylcarbamate,[NH3+]C1CCCCC1.[O-]C(=O)NC2CCCCC2,[NH3+]C1CCCCC1.[O-]C(=O)NC2CCCCC2,"InChI=1/C7H13NO2.C6H13N/c9-7(10)8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,9,10);6H,1-5,7H2",C7H13NO2.C6H13N,,,,,,KQIFRYIYNPGWEK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.599,243-575-5,20193-21-9,N-propylbutylamine,N-propylbutan-1-amine,CCCCNCCC,CCCCNCCC,"InChI=1/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3",C7H17N,,,,,,CWYZDPHNAGSFQB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.607,243-583-9,20198-64-5,Bis(3-phenylpropyl) phthalate,bis(3-phenylpropyl) phthalate,O=C(OCCCc1ccccc1)c2ccccc2C(=O)OCCCc3ccccc3,O=C(OCCCc1ccccc1)c2ccccc2C(=O)OCCCc3ccccc3,"InChI=1/C26H26O4/c27-25(29-19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)26(28)30-20-10-16-22-13-5-2-6-14-22/h1-8,11-14,17-18H,9-10,15-16,19-20H2",C26H26O4,,,,,,YCPGFFUNLDSSRX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.496,242-361-9,18479-57-7,"2,6-dimethyloctan-2-ol","2,6-dimethyloctan-2-ol",CCC(C)CCCC(C)(C)O,CCC(C)CCCC(C)(C)O,"InChI=1/C10H22O/c1-5-9(2)7-6-8-10(3,4)11/h9,11H,5-8H2,1-4H3",C10H22O,,,,,,WRFXXJKURVTLSY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.630,235-909-3,13040-17-0,Zinc decanoate,zinc didecanoate,[Zn+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/2C10H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Zn,,,,,,NVKSAUAQUPYOPO-UHFFFAOYSA-L,,,,,,,,,,,
100.032.635,235-915-6,13042-18-7,Fendiline,"3,3-diphenyl-N-(1-phenylethyl)propan-1-amine",CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3,CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3",C23H25N,,,,,,NMKSAYKQLCHXDK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.657,235-939-7,13053-81-1,N-2-thienylacetamide,N-2-thienylacetamide,CC(=O)Nc1cccs1,CC(=O)Nc1cccs1,"InChI=1/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)",C6H7NOS,,,,,,FSATURPVOMZWBY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.025,239-644-4,15585-86-1,Cyprodenate,2-(dimethylamino)ethyl 3-cyclohexylpropanoate,CN(C)CCOC(=O)CCC1CCCCC1,CN(C)CCOC(=O)CCC1CCCCC1,"InChI=1/C13H25NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3",C13H25NO2,,,,,,MPOYJPINNSIHAK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.046,239-668-5,15593-52-9,Dilithium selenate,dilithium selenate,[Li+].[Li+].[O-][Se](=O)(=O)[O-],[Li+].[Li+].[O-][Se](=O)(=O)[O-],"InChI=1/2Li.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O4Se.2Li,,,,,,JXTNYTBZEWFKNR-UHFFFAOYSA-L,,,,,,,,,,,
100.036.050,239-672-7,15593-88-1,2-(4-methyl-3-cyclohexen-1-yl)propenyl acetate,2-(4-methylcyclohex-3-en-1-yl)prop-1-en-1-yl acetate,CC(=O)OC=C(C)C1C\\C=C(\\C)CC1,CC(=O)OC=C(C)C1C\C=C(\C)CC1,"InChI=1/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,8,12H,5-7H2,1-3H3",C12H18O2,,,,,,CKITWLJZALNJDV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.064,239-687-9,15608-29-4,Rhodium tribromide,-,[Br-].[Br-].[Br-].[Rh+2],[Br-].[Br-].[Br-].[Rh+2],InChI=1/3BrH.Rh/h3*1H;/q;;;+2/p-3,Br3Rh,,,,,,OOUZMDKWDNNQRU-UHFFFAOYSA-K,,,,,,,,,,,
100.033.036,236-355-5,13320-32-6,[(isopropylidene)bis(p-phenyleneoxy)]diethylene bis(a-methylaziridine-1-acetate),[(isopropylidene)bis(p-phenyleneoxy)]diethylene bis(alpha-methylaziridine-1-acetate),CC(N1CC1)C(=O)[O-].CC(N2CC2)C(=O)[O-].CC(C)(c3ccc(OC=C)cc3)c4ccc(OC=C)cc4,CC(N1CC1)C(=O)[O-].CC(N2CC2)C(=O)[O-].CC(C)(c3ccc(OC=C)cc3)c4ccc(OC=C)cc4,"InChI=1/C19H20O2.2C5H9NO2/c1-5-20-17-11-7-15(8-12-17)19(3,4)16-9-13-18(14-10-16)21-6-2;2*1-4(5(7)8)6-2-3-6/h5-14H,1-2H2,3-4H3;2*4H,2-3H2,1H3,(H,7,8)/p-2",C29H38N2O6,,,,,,YOMQHZDPKXPRAV-UHFFFAOYSA-L,,,,,,,,,,,
100.033.037,236-356-0,13320-34-8,(isopropylidene)bis(p-phenyleneoxyethylene) bis(a-ethylaziridine-1-acetate),"propane-2,2-diylbis(4,1-phenyleneoxyethane-2,1-diyl) bis(2-aziridin-1-ylbutanoate)",CCC(N1CC1)C(=O)OCCOc2ccc(cc2)C(C)(C)c3ccc(OCCOC(=O)C(CC)N4CC4)cc3,CCC(N1CC1)C(=O)OCCOc2ccc(cc2)C(C)(C)c3ccc(OCCOC(=O)C(CC)N4CC4)cc3,"InChI=1/C31H42N2O6/c1-5-27(32-15-16-32)29(34)38-21-19-36-25-11-7-23(8-12-25)31(3,4)24-9-13-26(14-10-24)37-20-22-39-30(35)28(6-2)33-17-18-33/h7-14,27-28H,5-6,15-22H2,1-4H3",C31H42N2O6,,,,,,ZFUFVBRQJLAZNT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.041,236-360-2,13323-63-2,Dibutylbis(palmitoyloxy)stannane,dibutyl[bis(palmitoyloxy)]stannane,CCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/2C16H32O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-3-4-2;/h2*2-15H2,1H3,(H,17,18);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC40H80O4Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-39(41)43-45(37-11-7-3,38-12-8-4)44-40(42)36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-38H2,1-4H3",C40H80O4Sn,,,,,,HRIMTTNYSCTIDV-UHFFFAOYSA-L,,,,,,,,,,,
100.033.042,236-361-8,13323-81-4,(±)-a-methylbenzyl alcohol,1-phenylethanol,CC(O)c1ccccc1,CC(O)c1ccccc1,"InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3",C8H10O,,,,,,WAPNOHKVXSQRPX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.045,236-364-4,13325-10-5,4-amino-1-butanol,4-aminobutan-1-ol,NCCCCO,NCCCCO,"InChI=1/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2",C4H11NO,,,,,,BLFRQYKZFKYQLO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.053,236-373-3,13329-66-3,Aluminium(3+) 12-hydroxyoctadecanoate,aluminum tris(12-hydroxyoctadecanoate),[Al+3].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O3.Al/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*17,19H,2-16H2,1H3,(H,20,21);/q;;;+3/p-3",C18H36O3.1/3Al,,,,,,ROADCTMRUVIXLV-UHFFFAOYSA-K,,,,,,,,,,,
100.033.056,236-377-5,13329-70-9,Tris(hydroxymethyl)urea,"1,1,3-tris(hydroxymethyl)urea",OCNC(=O)N(CO)CO,OCNC(=O)N(CO)CO,"InChI=1/C4H10N2O4/c7-1-5-4(10)6(2-8)3-9/h7-9H,1-3H2,(H,5,10)",C4H10N2O4,,,,,,XJBNELXWSXDUFP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.061,236-382-2,13331-93-6,"4-nitroso-2,6-xylenol","2,6-dimethyl-4-nitrosophenol",Cc1cc(cc(C)c1O)N=O,Cc1cc(cc(C)c1O)N=O,"InChI=1/C8H9NO2/c1-5-3-7(9-11)4-6(2)8(5)10/h3-4,10H,1-2H3",C8H9NO2,,,,,,JLGGFXVVFUIJBA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.532,238-002-0,14159-55-8,2-(1-cyclohexen-1-yl)pyridine,2-cyclohex-1-en-1-ylpyridine,C1CCC(=CC1)c2ccccn2,C1CCC(=CC1)c2ccccn2,"InChI=1/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h4-6,8-9H,1-3,7H2",C11H13N,,,,,,RMSSVEWIIHKOQK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.533,238-003-6,14159-61-6,3-isobutylpyridine,3-isobutylpyridine,CC(C)Cc1cccnc1,CC(C)Cc1cccnc1,"InChI=1/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3",C9H13N,,,,,,DEGXTCKEZCCZOP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.538,238-008-3,14166-03-1,"[3S-(3a,5a,8a)]-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl phenylacetate","1-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)-1-methylethyl phenylacetate",CC1CCC(CC2=C1CCC2C)C(C)(C)OC(=O)Cc3ccccc3,CC1CCC(CC2=C1CCC2C)C(C)(C)OC(=O)Cc3ccccc3,"InChI=1/C23H32O2/c1-16-10-12-19(15-21-17(2)11-13-20(16)21)23(3,4)25-22(24)14-18-8-6-5-7-9-18/h5-9,16-17,19H,10-15H2,1-4H3",C23H32O2,,,,,,UTINEQJTEXCBGS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.542,238-013-0,14167-59-0,Tetratriacontane,tetratriacontane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C34H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",C34H70,,,,,,GWVDBZWVFGFBCN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.551,238-023-5,14173-39-8,4-chloro-3-phenyl-L-alanine,4-chlorophenylalanine,NC(Cc1ccc(Cl)cc1)C(=O)O,NC(Cc1ccc(Cl)cc1)C(=O)O,"InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10ClNO2,,,,,,NIGWMJHCCYYCSF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.554,238-026-1,14173-62-7,[(nitroimino)bis[methylene(nitroimino)]]dimethyl diacetate,"2,4,6-trinitro-9-oxo-8-oxa-2,4,6-triazadec-1-yl acetate (non-preferred name)",CC(=O)OCN(CN(CN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CC(=O)OCN(CN(CN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H14N6O10/c1-7(15)23-5-10(13(19)20)3-9(12(17)18)4-11(14(21)22)6-24-8(2)16/h3-6H2,1-2H3",C8H14N6O10,,,,,,CHBKPOAEXQUKHL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.558,238-030-3,14176-47-7,"trans-tetrahydrothiophene-3,4-diol 1,1-dioxide","tetrahydrothiophene-3,4-diol 1,1-dioxide",O[C@@H]1CS(=O)(=O)C[C@H]1O,O[C@@H]1CS(=O)(=O)C[C@H]1O,"InChI=1/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2",C4H8O4S,,,,,,LDVDYVUZEKIBDP-QWWZWVQMSA-N,,,,,,,,,,,
100.034.562,238-035-0,14178-15-5,2-phenoxynicotinonitrile,2-phenoxynicotinonitrile,N#Cc1cccnc1Oc2ccccc2,N#Cc1cccnc1Oc2ccccc2,InChI=1/C12H8N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h1-8H,C12H8N2O,,,,,,KMQFYNLYTMIJPI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.564,238-037-1,14184-98-6,"2,2',4,4',6,6'-hexanitro[1,1'-biphenyl]-3,3'-diol","2,2',4,4',6,6'-hexanitrobiphenyl-3,3'-diol",Oc1c(cc(c(c2c(cc(c(O)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Oc1c(cc(c(c2c(cc(c(O)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H4N6O14/c19-11-5(15(25)26)1-3(13(21)22)7(9(11)17(29)30)8-4(14(23)24)2-6(16(27)28)12(20)10(8)18(31)32/h1-2,19-20H",C12H4N6O14,,,,,,ZGEXBICQPGHLKE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.566,238-039-2,14186-60-8,Dimethyl 2-methylterephthalate,dimethyl 2-methylterephthalate,COC(=O)c1ccc(C(=O)OC)c(C)c1,COC(=O)c1ccc(C(=O)OC)c(C)c1,"InChI=1/C11H12O4/c1-7-6-8(10(12)14-2)4-5-9(7)11(13)15-3/h4-6H,1-3H3",C11H12O4,,,,,,DXIRJLBDSXBZCS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.574,238-048-1,14194-07-1,Titanium oxalate (2:3),titanium oxalate (2:3),[Ti].[Ti].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Ti].[Ti].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Ti/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+2/p-6",C2H2O4.2/3Ti,,,,,,WKJCCVRCADWFGH-UHFFFAOYSA-H,,,,,,,,,,,
100.038.296,242-142-8,18266-33-6,"Bis(2,3-epoxypropyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","bis(oxiran-2-ylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",O=C(OCC1CO1)C2C3CC(C=C3)C2C(=O)OCC4CO4,O=C(OCC1CO1)C2C3CC(C=C3)C2C(=O)OCC4CO4,"InChI=1/C15H18O6/c16-14(20-6-10-4-18-10)12-8-1-2-9(3-8)13(12)15(17)21-7-11-5-19-11/h1-2,8-13H,3-7H2",C15H18O6,,,,,,LSELIYBTFJVUSX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.307,242-154-3,18277-27-5,2-sec-butylthiazole,"2-sec-butyl-1,3-thiazole",CCC(C)c1nccs1,CCC(C)c1nccs1,"InChI=1/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3",C7H11NS,,,,,,MHJSWOZJMPIGJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.315,242-163-2,18290-60-3,Trichloro[2-(3-cyclohexen-1-yl)ethyl]silane,trichloro(2-cyclohex-3-en-1-ylethyl)silane,Cl[Si](Cl)(Cl)CCC1CCC=CC1,Cl[Si](Cl)(Cl)CCC1CCC=CC1,"InChI=1/C8H13Cl3Si/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2",C8H13Cl3Si,,,,,,BACYXSNZANMSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.326,242-175-8,18296-45-2,Didrovaltrate,"6-acetoxy-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate",CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(=O)C)[C@]23CO3,CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(=O)C)[C@]23CO3,"InChI=1/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3",C22H32O8,,,,,,PHHROXLDZHUIGO-PNBTUHDLSA-N,,,,,,,,,,,
100.041.477,245-640-3,23409-02-1,"Bis(butyldithiocarbamato-S,S')zinc",zinc bis(butyldithiocarbamate),CCCCNC(=S)S[Zn]SC(=S)NCCCC,CCCCNC(=S)S[Zn]SC(=S)NCCCC,"InChI=1/2C5H11NS2.Zn/c2*1-2-3-4-6-5(7)8;/h2*2-4H2,1H3,(H2,6,7,8);/q;;+2/p-2/rC10H20N2S4Zn/c1-3-5-7-11-9(13)15-17-16-10(14)12-8-6-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)",C10H20N2S4Zn,,,,,,UYPNGYWOKLGXGM-UHFFFAOYSA-L,,,,,,,,,,,
100.041.479,245-642-4,23410-40-4,N-[3-(dimethoxymethylsilyl)-2-methylpropyl]ethylenediamine,"N-{3-[dimethoxy(methyl)silyl]-2-methylpropyl}ethane-1,2-diamine",CO[Si](C)(CC(C)CNCCN)OC,CO[Si](C)(CC(C)CNCCN)OC,"InChI=1/C9H24N2O2Si/c1-9(7-11-6-5-10)8-14(4,12-2)13-3/h9,11H,5-8,10H2,1-4H3",C9H24N2O2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10373,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.479,HXDMXWXYZHDHLS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.473,237-936-6,14090-83-6,Methyl (phenylsulphinyl)acetate,methyl (phenylsulfinyl)acetate,COC(=O)CS(=O)c1ccccc1,COC(=O)CS(=O)c1ccccc1,"InChI=1/C9H10O3S/c1-12-9(10)7-13(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3",C9H10O3S,,,,,,JPPXZUDQIXZLIL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.475,237-938-7,14090-88-1,"Nonane-4,6-dione","nonane-4,6-dione",CCCC(=O)CC(=O)CCC,CCCC(=O)CC(=O)CCC,"InChI=1/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3",C9H16O2,,,,,,ZDYWPVCQPUPOJV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.477,237-940-8,14091-12-4,3-chloro-3-phenyl-DL-alanine,beta-chloro-L-phenylalanine,N[C@@H](C(Cl)c1ccccc1)C(=O)O,N[C@@H](C(Cl)c1ccccc1)C(=O)O,"InChI=1/C9H10ClNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)",C9H10ClNO2,,,,,,OJVPYIWDIVFKHJ-MQWKRIRWSA-N,,,,,,,,,,,
100.034.483,237-947-6,14098-44-3,"2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin","2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine",C1COCCOc2ccccc2OCCOCCO1,C1COCCOc2ccccc2OCCOCCO1,"InChI=1/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2",C14H20O5,,,,,,FNEPSTUXZLEUCK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.490,237-954-4,14103-61-8,"Bis(3,5,5-trimethylhexyl) phthalate","bis(3,5,5-trimethylhexyl) phthalate",CC(CCOC(=O)c1ccccc1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOC(=O)c1ccccc1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3",C26H42O4,,,,,,GDJOUZYAIHWDCA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.000,239-617-7,15570-12-4,3-methoxybenzenethiol,3-methoxybenzenethiol,COc1cccc(S)c1,COc1cccc(S)c1,"InChI=1/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3",C7H8OS,,,,,,QMVAZEHZOPDGHA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.003,239-620-3,15571-48-9,Magnesium dipropan-2-olate,magnesium dipropan-2-olate,[Mg+2].CC(C)[O-].CC(C)[O-],[Mg+2].CC(C)[O-].CC(C)[O-],"InChI=1/2C3H7O.Mg/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2",C3H8O.1/2Mg,,,,,,ORPJQHHQRCLVIC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.005,239-622-4,15571-58-1,"2-ethylhexyl 10-ethyl-4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 10-ethyl-4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/2C10H20O2S.2C8H17.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC36H72O4S2Sn/c1-7-13-17-19-21-23-27-43(28-24-22-20-18-14-8-2,41-31-35(37)39-29-33(11-5)25-15-9-3)42-32-36(38)40-30-34(12-6)26-16-10-4/h33-34H,7-32H2,1-6H3",C36H72O4S2Sn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14171,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.005,VXGIVDFKZKMKQO-UHFFFAOYSA-L,,,,,,,,,,,
100.036.015,239-633-4,15577-26-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl acrylate",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C14H7F19O2/c1-2-5(34)35-4-3-6(15,16)8(18,19)10(22,23)12(26,27)11(24,25)9(20,21)7(17,13(28,29)30)14(31,32)33/h2H,1,3-4H2",C14H7F19O2,,,,,,QGIJZPXLSMRDCW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.001,236-316-2,13294-71-8,2-bromobut-2-ene,2-bromobut-2-ene,BrC(C)=CC,BrC(C)=CC,"InChI=1/C4H7Br/c1-3-4(2)5/h3H,1-2H3",C4H7Br,,,,,,UILZQFGKPHAAOU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.005,236-320-4,13299-97-3,3-benzoyl-2-methyllactic acid,2-hydroxy-2-methyl-4-oxo-4-phenylbutanoic acid,CC(O)(CC(=O)c1ccccc1)C(=O)O,CC(O)(CC(=O)c1ccccc1)C(=O)O,"InChI=1/C11H12O4/c1-11(15,10(13)14)7-9(12)8-5-3-2-4-6-8/h2-6,15H,7H2,1H3,(H,13,14)",C11H12O4,,,,,,KLQDKKWLFNZONJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.007,236-323-0,13301-33-2,"5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonic acid","5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Oc3ccc(cc3N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)[N+]([O-])=O,Oc3ccc(cc3N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)[N+]([O-])=O,"InChI=1/C16H12N4O10S2/c17-10-6-9(31(25,26)27)3-7-4-13(32(28,29)30)15(16(22)14(7)10)19-18-11-5-8(20(23)24)1-2-12(11)21/h1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30)",C16H12N4O10S2,,,,,,ZZDLYKYIGJOAOW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.611,243-588-6,20201-60-9,"2-methoxy-4-(5,6,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol","2-methoxy-4-(5,6,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1cc(ccc1O)C2CC3CC2C(C)(C)C3C,COc1cc(ccc1O)C2CC3CC2C(C)(C)C3C,"InChI=1/C17H24O2/c1-10-12-7-13(14(8-12)17(10,2)3)11-5-6-15(18)16(9-11)19-4/h5-6,9-10,12-14,18H,7-8H2,1-4H3",C17H24O2,,,,,,ZDDMXFRCSRMVFF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.613,243-590-7,20201-75-6,"2-methoxy-6-(5,6,6-trimethyl-2-norbornyl)phenol","2-methoxy-6-(5,6,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1cccc(C2CC3CC2C(C)(C)C3C)c1O,COc1cccc(C2CC3CC2C(C)(C)C3C)c1O,"InChI=1/C17H24O2/c1-10-11-8-13(14(9-11)17(10,2)3)12-6-5-7-15(19-4)16(12)18/h5-7,10-11,13-14,18H,8-9H2,1-4H3",C17H24O2,,,,,,IIONSYMKCJTBCD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.622,243-601-5,20208-95-1,"1,3,5-triazine-2,4,6-triamine monophosphate","1,3,5-triazine-2,4,6-triamine phosphate",Nc1nc(N)nc(N)n1.OP(O)(=O)O,Nc1nc(N)nc(N)n1.OP(O)(=O)O,"InChI=1/C3H6N6.H3O4P/c4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h(H6,4,5,6,7,8,9);(H3,1,2,3,4)",C3H6N6.H3O4P,,,,,,XFZRQAZGUOTJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.252,245-394-7,23042-75-3,"N-(2,4-dimethoxyphenyl)acetamide","N-(2,4-dimethoxyphenyl)acetamide",COc1ccc(NC(=O)C)c(OC)c1,COc1ccc(NC(=O)C)c(OC)c1,"InChI=1/C10H13NO3/c1-7(12)11-9-5-4-8(13-2)6-10(9)14-3/h4-6H,1-3H3,(H,11,12)",C10H13NO3,,,,,,PUOPSKXVSJHFJF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.255,245-397-3,23050-90-0,4-(diethylamino)salicylic acid,4-(diethylamino)-2-hydroxybenzoic acid,CCN(CC)c1ccc(C(=O)O)c(O)c1,CCN(CC)c1ccc(C(=O)O)c(O)c1,"InChI=1/C11H15NO3/c1-3-12(4-2)8-5-6-9(11(14)15)10(13)7-8/h5-7,13H,3-4H2,1-2H3,(H,14,15)",C11H15NO3,,,,,,IZYRYLLQDKRMKK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.580,247-954-6,26748-38-9,tert-butyl peroxyneoheptanoate,"tert-butyl 4,4-dimethylpentaneperoxoate",CC(C)(C)CCC(=O)OOC(C)(C)C,CC(C)(C)CCC(=O)OOC(C)(C)C,"InChI=1/C11H22O3/c1-10(2,3)8-7-9(12)13-14-11(4,5)6/h7-8H2,1-6H3",C11H22O3,,,,,,VNJISVYSDHJQFR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.583,247-957-2,26749-90-6,4-cyclodecen-1-one,cyclodec-4-en-1-one,O=C1CCCCC\\C=C/CC1,O=C1CCCCC\C=C/CC1,"InChI=1/C10H16O/c11-10-8-6-4-2-1-3-5-7-9-10/h2,4H,1,3,5-9H2",C10H16O,,,,,,CTKZAJHVNKRDOI-RQOWECAXSA-N,,,,,,,,,,,
100.043.589,247-964-0,26759-40-0,Tris[[(1-ethylpyrrolidin-2-yl)methyl][(3-methoxybenzo[b]thien-2-yl)carbonyl]ammonium] phosphate,tris{N-[(1-ethylpyrrolidin-2-yl)methyl](3-methoxy-1-benzothiophen-2-yl)oxomethanaminium} phosphate,CCN1CCCC1C[NH2+]C(=O)c2sc3ccccc3c2OC.CCN4CCCC4C[NH2+]C(=O)c5sc6ccccc6c5OC.CCN7CCCC7C[NH2+]C(=O)c8sc9ccccc9c8OC.[O-]P(=O)([O-])[O-],CCN1CCCC1C[NH2+]C(=O)c2sc3ccccc3c2OC.CCN4CCCC4C[NH2+]C(=O)c5sc6ccccc6c5OC.CCN7CCCC7C[NH2+]C(=O)c8sc9ccccc9c8OC.[O-]P(=O)([O-])[O-],"InChI=1/3C17H22N2O2S.H3O4P/c3*1-3-19-10-6-7-12(19)11-18-17(20)16-15(21-2)13-8-4-5-9-14(13)22-16;1-5(2,3)4/h3*4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,20);(H3,1,2,3,4)",C17H22N2O2S.H3O4P,,,,,,MMQUUBQGBKPDKU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.594,247-969-8,26759-49-9,"Methyl 3,5,6-trimethoxybenzo[b]thiophene-2-carboxylate","methyl 3,5,6-trimethoxy-1-benzothiophene-2-carboxylate",COC(=O)c1sc2cc(OC)c(OC)cc2c1OC,COC(=O)c1sc2cc(OC)c(OC)cc2c1OC,"InChI=1/C13H14O5S/c1-15-8-5-7-10(6-9(8)16-2)19-12(11(7)17-3)13(14)18-4/h5-6H,1-4H3",C13H14O5S,,,,,,ODZIMFDGNPPJMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.598,247-974-5,26759-54-6,3-methoxy-5-nitrobenzo[b]thiophene-3-carboxylic acid,"3-methoxy-5-nitro-2,3-dihydro-1-benzothiophene-3-carboxylic acid",COC1(CSc2ccc(cc12)[N+](=O)[O-])C(=O)O,COC1(CSc2ccc(cc12)[N+](=O)[O-])C(=O)O,"InChI=1/C10H9NO5S/c1-16-10(9(12)13)5-17-8-3-2-6(11(14)15)4-7(8)10/h2-4H,5H2,1H3,(H,12,13)",C10H7NO5S,,,,,,NFMXSYDULAKEKH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.601,247-977-1,26761-40-0,Di-''isodecyl'' phthalate,"bis(7,7-dimethyloctyl) phthalate",CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C,CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C,"InChI=1/C28H46O4/c1-27(2,3)19-13-7-9-15-21-31-25(29)23-17-11-12-18-24(23)26(30)32-22-16-10-8-14-20-28(4,5)6/h11-12,17-18H,7-10,13-16,19-22H2,1-6H3",C28H46O4,,,,,,ZDPLUSVKGBFPIW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.607,247-983-4,26761-79-5,Propylnaphthalenesulphonic acid,2-propylnaphthalene-1-sulfonic acid,CCCc1ccc2ccccc2c1S(=O)(=O)O,CCCc1ccc2ccccc2c1S(=O)(=O)O,"InChI=1/C13H14O3S/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)17(14,15)16/h3-4,6-9H,2,5H2,1H3,(H,14,15,16)",C13H14O3S,,,,,,FWMKPJYJDJSEHR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.616,247-993-9,26770-95-6,"(1S-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl chloride","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbonyl chloride",CC(=CC1[C@H](C(=O)Cl)C1(C)C)C,CC(=CC1[C@H](C(=O)Cl)C1(C)C)C,"InChI=1/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3",C10H15ClO,,,,,,VNTCVNLNEOVBEE-BRFYHDHCSA-N,,,,,,,,,,,
100.043.208,247-545-2,26249-20-7,Epoxybutane,2-ethyloxirane,CCC1CO1,CCC1CO1,"InChI=1/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3",C4H8O,,,,,,RBACIKXCRWGCBB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.063,236-384-3,13333-91-0,"3,6-dimethyl-9H-xanthene","3,6-dimethyl-9H-xanthene",Cc1ccc2Cc3ccc(C)cc3Oc2c1,Cc1ccc2Cc3ccc(C)cc3Oc2c1,"InChI=1/C15H14O/c1-10-3-5-12-9-13-6-4-11(2)8-15(13)16-14(12)7-10/h3-8H,9H2,1-2H3",C15H14O,,,,,,ZMMDXPSNHBJVFL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.069,236-391-1,13343-95-8,1-(2-furyl)-3-(2-thienyl)-2-propen-1-one,1-(2-furyl)-3-(2-thienyl)prop-2-en-1-one,O=C(C=Cc1cccs1)c2ccco2,O=C(C=Cc1cccs1)c2ccco2,InChI=1/C11H8O2S/c12-10(11-4-1-7-13-11)6-5-9-3-2-8-14-9/h1-8H,C11H8O2S,,,,,,HIBLXINPOYYHFI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.071,236-393-2,13345-09-0,6-phenyluracil,"6-phenylpyrimidine-2,4(1H,3H)-dione",O=C1NC(=O)C=C(N1)c2ccccc2,O=C1NC(=O)C=C(N1)c2ccccc2,"InChI=1/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)",C10H8N2O2,,,,,,NCSMAVULYUCSMB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.074,236-396-9,13348-19-1,"Tetrahydro-5-hydroxy-1,3-bis(hydroxymethyl)-1H-pyrimidin-2-one","5-hydroxy-1,3-bis(hydroxymethyl)tetrahydropyrimidin-2(1H)-one",OCN1CC(O)CN(CO)C1=O,OCN1CC(O)CN(CO)C1=O,"InChI=1/C6H12N2O4/c9-3-7-1-5(11)2-8(4-10)6(7)12/h5,9-11H,1-4H2",C6H12N2O4,,,,,,OEGBLDIRTKJJAM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.075,236-397-4,13348-41-9,"N,N'-dicyclohexylhexane-1,6-diamine","N,N'-dicyclohexylhexane-1,6-diamine",C(CCCNC1CCCCC1)CCNC2CCCCC2,C(CCCNC1CCCCC1)CCNC2CCCCC2,"InChI=1/C18H36N2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h17-20H,1-16H2",C18H36N2,,,,,,HWMMYAWUTCKNKH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.699,239-285-3,15241-42-6,"D-glucuronic acid, compound with L-arginine (1:1)",L-arginine - D-glucuronic acid (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O,"InChI=1/C6H14N4O2.C6H10O7/c7-4(5(11)12)2-1-3-10-6(8)9;7-1-2(8)3(9)4(10)5(11)6(12)13/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-5,8-11H,(H,12,13)",C6H14N4O2.C6H10O7,,,,,,UKDDJHWIVHJRLI-CDHKGTMRSA-N,,,,,,,,,,,
100.035.705,239-292-1,15248-76-7,"Oxalic acid, sodium salt","oxalic acid, sodium salt",[Na+].OC(=O)C(=O)[O-],[Na+].OC(=O)C(=O)[O-],"InChI=1/C2H2O4.Na/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1",C2H2O4.xNa,,,,,,UJRAXLUXHBUNDO-UHFFFAOYSA-M,,,,,,,,,,,
100.035.712,239-300-3,15258-73-8,"2,6-dichlorobenzyl alcohol","(2,6-dichlorophenyl)methanol",OCc1c(Cl)cccc1Cl,OCc1c(Cl)cccc1Cl,"InChI=1/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2",C7H6Cl2O,,,,,,WKKHCCZLKYKUDN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.716,239-305-0,15260-83-0,"5,5-dimethylthiazolidine-4-carboxylic acid","5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",CC1(C)SCNC1C(=O)O,CC1(C)SCNC1C(=O)O,"InChI=1/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)",C6H11NO2S,,,,,,PMQQFSDIECYOQV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.720,239-309-2,15263-52-2,Cartap hydrochloride,"S,S'-[2-(dimethylamino)propane-1,3-diyl] bis(thiocarbamate) hydrochloride",Cl.CN(C)C(CSC(=O)N)CSC(=O)N,Cl.CN(C)C(CSC(=O)N)CSC(=O)N,"InChI=1/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H",C7H15N3O2S2.ClH,,,,,,MSHXTAQSSIEBQS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.725,239-315-5,15274-99-4,Sodium tetrafluoroferrate(1-),sodium tetrafluoroferrate(1-),[Na+].F[Fe-](F)(F)F,[Na+].F[Fe-](F)(F)F,"InChI=1/4FH.Fe.Na/h4*1H;;/q;;;;+4;+1/p-4/rF4Fe.Na/c1-5(2,3)4;/q;+1",F4Fe.Na,,,,,,HPIKNTMXCPAWTA-UHFFFAOYSA-J,,,,,,,,,,,
100.035.730,239-320-2,15280-09-8,Sodium dicyanoaurate,sodium bis(cyano-kappaC)aurate(1-),[Na+].N#C[Au-]C#N,[Na+].N#C[Au-]C#N,InChI=1/2CN.Au.Na/c2*1-2;;/q;;2*+1/rC2AuN2.Na/c4-1-3-2-5;/q2*+1,C2AuN2.Na,,,,,,LGYSFIGTWNEYKS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.661,235-943-9,13057-08-4,"1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl acrylate","1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl acrylate",FC(F)(F)C(F)(OC(=O)C=C)C(F)(F)F,FC(F)(F)C(F)(OC(=O)C=C)C(F)(F)F,"InChI=1/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2",C6H3F7O2,,,,,,JTCVKNUSIGHJRG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.664,235-947-0,13057-81-3,Ethyl (hydroxymethyl)(methoxymethyl)carbamate,ethyl (hydroxymethyl)(methoxymethyl)carbamate,CCOC(=O)N(CO)COC,CCOC(=O)N(CO)COC,"InChI=1/C6H13NO4/c1-3-11-6(9)7(4-8)5-10-2/h8H,3-5H2,1-2H3",C6H13NO4,,,,,,YXPVEMOMGTYXHU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.666,235-949-1,13058-16-7,N-benzyloxycarbonyl-DL-tryptophan,N-[(benzyloxy)carbonyl]-D-tryptophan,OC(=O)[C@@H](NC(=O)OCc1ccccc1)Cc3cnc2ccccc23,OC(=O)[C@@H](NC(=O)OCc1ccccc1)Cc3cnc2ccccc23,"InChI=1/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)",C19H18N2O4,,,,,,AHYFYYVVAXRMKB-KRWDZBQOSA-N,,,,,,,,,,,
100.032.668,235-951-2,13059-60-4,N-glycylglycine monohydrochloride,glycylglycine hydrochloride,Cl.NCC(=O)NCC(=O)O,Cl.NCC(=O)NCC(=O)O,"InChI=1/C4H8N2O3.ClH/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H",C4H8N2O3.ClH,,,,,,YHBAZQDEMYQPJL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.329,242-178-4,18297-98-8,Dihexylphenylphosphine,dihexyl(phenyl)phosphine,CCCCCCP(CCCCCC)c1ccccc1,CCCCCCP(CCCCCC)c1ccccc1,"InChI=1/C18H31P/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3",C18H31P,,,,,,MRCWFLVFFDEGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.330,242-180-5,18298-00-5,Hexyldiphenylphosphine,hexyl(diphenyl)phosphine,CCCCCCP(c1ccccc1)c2ccccc2,CCCCCCP(c1ccccc1)c2ccccc2,"InChI=1/C18H23P/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3",C18H23P,,,,,,WHNGQRQJGDUZPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.333,242-183-1,18300-04-4,"1,2-dibromo-4,5,6,7,8,8-hexachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene","1,2-dibromo-4,5,6,7,8,8-hexachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",ClC1=C(Cl)C2(Cl)C3C(Br)C(Br)CC3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C(Br)C(Br)CC3C1(Cl)C2(Cl)Cl,"InChI=1/C10H6Br2Cl6/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2",C10H6Br2Cl6,,,,,,RVVRZNVGDRBUJH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.334,242-184-7,18300-91-9,Pentadecanenitrile,pentadecanenitrile,CCCCCCCCCCCCCCC#N,CCCCCCCCCCCCCCC#N,"InChI=1/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3",C15H29N,,,,,,KRKQHNVYOWTEQO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.335,242-185-2,18301-56-9,3-(dichloromethylsilyl)propyl methacrylate,3-[dichloro(methyl)silyl]propyl methacrylate,CC(=C)C(=O)OCCC[Si](C)(Cl)Cl,CC(=C)C(=O)OCCC[Si](C)(Cl)Cl,"InChI=1/C8H14Cl2O2Si/c1-7(2)8(11)12-5-4-6-13(3,9)10/h1,4-6H2,2-3H3",C8H14Cl2O2Si,,,,,,QXKMQBOTKLTKOE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.204,237-640-7,13877-83-3,Dodec-2-enylsuccinic acid,2-dodec-2-en-1-ylsuccinic acid,OC(=O)C(CC=CCCCCCCCCC)CC(O)=O,OC(=O)C(CC=CCCCCCCCCC)CC(O)=O,"InChI=1/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20)",C16H28O4,,,,,,VAHSVKWHLFZJMH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.205,237-641-2,13877-91-3,"3,7-dimethylocta-1,3,6-triene","3,7-dimethylocta-1,3,6-triene",C=CC(C)=CC\\C=C(\\C)C,C=CC(C)=CC\C=C(\C)C,"InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3",C10H16,,,,,,IHPKGUQCSIINRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.208,237-644-9,13879-32-8,"1,1'-[methylenebis(oxyethane-1,2-diyloxy)]bisbenzene","1,1'-[methylenebis(oxyethane-2,1-diyloxy)]dibenzene",C(COc1ccccc1)OCOCCOc2ccccc2,C(COc1ccccc1)OCOCCOc2ccccc2,"InChI=1/C17H20O4/c1-3-7-16(8-4-1)20-13-11-18-15-19-12-14-21-17-9-5-2-6-10-17/h1-10H,11-15H2",C17H20O4,,,,,,GKJNKWKTBXIQDE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.215,237-652-2,13887-00-8,9-icosyl-9-phosphabicyclo[3.3.1]nonane,9-icosyl-9-phosphabicyclo[3.3.1]nonane,CCCCCCCCCCCCCCCCCCCCP1C2CCCC1CCC2,CCCCCCCCCCCCCCCCCCCCP1C2CCCC1CCC2,"InChI=1/C28H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-29-27-22-20-23-28(29)25-21-24-27/h27-28H,2-26H2,1H3",C28H55P,,,,,,QBUBJAXSVUKLBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.216,237-653-8,13887-02-0,9-phosphabicyclo[3.3.1]nonane,9-phosphabicyclo[3.3.1]nonane,C1CC2CCCC(C1)P2,C1CC2CCCC(C1)P2,"InChI=1/C8H15P/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2",C8H15P,,,,,,QJCMAJXWIAFFED-UHFFFAOYSA-N,,,,,,,,,,,
100.034.223,237-661-1,13893-97-5,"5-methyl-1-phenylhexane-1,3-dione","5-methyl-1-phenylhexane-1,3-dione",CC(C)CC(=O)CC(=O)c1ccccc1,CC(C)CC(=O)CC(=O)c1ccccc1,"InChI=1/C13H16O2/c1-10(2)8-12(14)9-13(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C13H16O2,,,,,,XVTWRQCEQFDSBK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.225,237-663-2,13894-63-8,Methyl (E)-hex-2-enoate,methyl hex-2-enoate,CCC\\C=C\\C(=O)OC,CCC\C=C\C(=O)OC,"InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3",C7H12O2,,,,,,GFUGBRNILVVWIE-AATRIKPKSA-N,,,,,,,,,,,
100.034.229,237-667-4,13897-56-8,"2-methylcyclohexane-1,3-diamine","2-methylcyclohexane-1,3-diamine",CC1C(N)CCCC1N,CC1C(N)CCCC1N,"InChI=1/C7H16N2/c1-5-6(8)3-2-4-7(5)9/h5-7H,2-4,8-9H2,1H3",C7H16N2,,,,,,KHBBRIBQJGWUOW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.234,237-673-7,13900-61-3,"3-ß,17-a-dihydroxy-16-ß-methylpregn-5-en-20-one","3,17-dihydroxy-16-methylpregn-5-en-20-one",C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C,C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C,"InChI=1/C22H34O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h5,13,16-19,24-25H,6-12H2,1-4H3",C22H34O3,,,,,,MDCCMZGGNCMFPQ-RGEWOSBMSA-N,,,,,,,,,,,
100.034.236,237-675-8,13905-48-1,1-bromo-3-methylcyclohexane,1-bromo-3-methylcyclohexane,CC1CCCC(Br)C1,CC1CCCC(Br)C1,"InChI=1/C7H13Br/c1-6-3-2-4-7(8)5-6/h6-7H,2-5H2,1H3",C7H13Br,,,,,,CAKVGNXMAZLDPV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.244,237-684-7,13912-80-6,Nicoboxil,2-butoxyethyl nicotinate,CCCCOCCOC(=O)c1cccnc1,CCCCOCCOC(=O)c1cccnc1,"InChI=1/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3",C12H17NO3,,,,,,IZJRISIINLJVBU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.178,240-912-8,16881-42-8,N2-benzyl tert-butyl N2-carboxy-L-(2-aminoglutaramate,tert-butyl N~2~-[(benzyloxy)carbonyl]glutaminate,CC(C)(C)OC(=O)C(CCC(=O)N)NC(=O)OCc1ccccc1,CC(C)(C)OC(=O)C(CCC(=O)N)NC(=O)OCc1ccccc1,"InChI=1/C17H24N2O5/c1-17(2,3)24-15(21)13(9-10-14(18)20)19-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,18,20)(H,19,22)",C17H24N2O5,,,,,,UCFPQVRNAZMYMC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.019,236-336-1,13308-40-2,"Oleic acid, chromium salt",-,[Cr+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Cr+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O2.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+2/p-1",C18H34O2.xCr,,,,,,GWQZTVRHVPUAQM-KVVVOXFISA-M,,,,,,,,,,,
100.033.022,236-339-8,13311-52-9,4(or 2)-(2-pyridylazo)-3(or 5)-(sodiooxy)phenol,sodium 5-hydroxy-2-(pyridin-2-yldiazenyl)phenolate,Oc1ccc(N=Nc2ccccn2)c(O[Na])c1,Oc1ccc(N=Nc2ccccn2)c(O[Na])c1,"InChI=1/C11H9N3O2.Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+1/p-1",C11H9N3O2.Na,,,,,,KZRPHCQLJZXMJV-UHFFFAOYSA-M,,,,,,,,,,,
100.033.028,236-346-6,13315-23-6,4-methyl-2-pyrazolin-5-one,"4-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1C=NNC1=O,CC1C=NNC1=O,"InChI=1/C4H6N2O/c1-3-2-5-6-4(3)7/h2-3H,1H3,(H,6,7)",C4H6N2O,,,,,,GWYFIIHULJCWMO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.029,236-347-1,13316-70-6,Triethylhexadecylammonium bromide,"N,N,N-triethylhexadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCC[N+](CC)(CC)CC,[Br-].CCCCCCCCCCCCCCCC[N+](CC)(CC)CC,"InChI=1/C22H48N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1",C22H48N.Br,,,,,,HNJXPTMEWIVQQM-UHFFFAOYSA-M,,,,,,,,,,,
100.033.031,236-349-2,13318-07-5,"Bis(2-ethylhexyl) [R(R*,R*)]-tartrate",bis(2-ethylhexyl) tartarate,CCCCC(CC)COC(=O)C(O)C(O)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)C(O)C(O)C(=O)OCC(CC)CCCC,"InChI=1/C20H38O6/c1-5-9-11-15(7-3)13-25-19(23)17(21)18(22)20(24)26-14-16(8-4)12-10-6-2/h15-18,21-22H,5-14H2,1-4H3",C20H38O6,,,,,,UQKDJFLNVHKDRR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.651,239-232-4,15182-83-9,"7-chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one","7-chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one",Cc1cc(Cl)cc2SCC(=O)Nc12,Cc1cc(Cl)cc2SCC(=O)Nc12,"InChI=1/C9H8ClNOS/c1-5-2-6(10)3-7-9(5)11-8(12)4-13-7/h2-3H,4H2,1H3,(H,11,12)",C9H8ClNOS,,,,,,CKRMHETZULBGOC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.654,239-236-6,15185-40-7,3-ethyl-2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]benzoxazolium iodide,"3-ethyl-2-[(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4ccccc4oc3C=C2Oc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4oc3C=C2Oc1ccccc1N2CC,"InChI=1/C19H19N2O2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1",C19H19N2O2.I,,,,,,MUBIWUSJYHALAS-UHFFFAOYSA-M,,,,,,,,,,,
100.035.661,239-243-4,15190-12-2,2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile,(4-methoxyphenyl)(pyrrolidin-1-yl)acetonitrile,COc1ccc(cc1)C(C#N)N2CCCC2,COc1ccc(cc1)C(C#N)N2CCCC2,"InChI=1/C13H16N2O/c1-16-12-6-4-11(5-7-12)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-9H2,1H3",C13H16N2O,,,,,,CSZHKEHWBYJMGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.663,239-246-0,15190-14-4,2-(4-methoxyphenyl)-2-piperidinoacetonitrile,(4-methoxyphenyl)(piperidin-1-yl)acetonitrile,COc1ccc(cc1)C(C#N)N2CCCCC2,COc1ccc(cc1)C(C#N)N2CCCCC2,"InChI=1/C14H18N2O/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-10H2,1H3",C14H18N2O,,,,,,CYRKWIBBOQIQTG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.665,239-248-1,15191-21-6,N-formyl-L-histidine,N-formyl-D-histidine,OC(=O)[C@H](Cc1c[nH]cn1)NC=O,OC(=O)[C@H](Cc1c[nH]cn1)NC=O,"InChI=1/C7H9N3O3/c11-4-10-6(7(12)13)1-5-2-8-3-9-5/h2-4,6H,1H2,(H,8,9)(H,10,11)(H,12,13)",C7H9N3O3,,,,,,WFQVSLVQIFFQQN-LURJTMIESA-N,,,,,,,,,,,
100.035.666,239-249-7,15191-25-0,4-isothiocyanatoaniline,4-isothiocyanatoaniline,Nc1ccc(cc1)N=C=S,Nc1ccc(cc1)N=C=S,"InChI=1/C7H6N2S/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,8H2",C7H6N2S,,,,,,SBABYCHYIKHAAW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.672,239-256-5,15199-41-4,"Cyclododecane-1,2-diol","cyclododecane-1,2-diol",OC1CCCCCCCCCCC1O,OC1CCCCCCCCCCC1O,"InChI=1/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2",C12H24O2,,,,,,HAMFVYJFVXTJCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.678,239-262-8,15205-68-2,2-(ethylthio)ethyl acrylate,2-(ethylsulfanyl)ethyl acrylate,CCSCCOC(=O)C=C,CCSCCOC(=O)C=C,"InChI=1/C7H12O2S/c1-3-7(8)9-5-6-10-4-2/h3H,1,4-6H2,2H3",C7H12O2S,,,,,,AJJCQYIECZAJBB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.681,239-265-4,15210-30-7,"2',2'-dichloro-3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]","2',2'-dichloro-3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]",CC1(C)C2CCC(C2)C13CC3(Cl)Cl,CC1(C)C2CCC(C2)C13CC3(Cl)Cl,"InChI=1/C11H16Cl2/c1-9(2)7-3-4-8(5-7)10(9)6-11(10,12)13/h7-8H,3-6H2,1-2H3",C11H16Cl2,,,,,,CGWZJKHGFXYCCI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.685,239-270-1,15217-53-5,"1-ethyl-1,2-dihydro-5H-tetrazole-5-thione","1-ethyl-1,2-dihydro-5H-tetrazole-5-thione",CCN1NN=NC1=S,CCN1NN=NC1=S,"InChI=1/C3H6N4S/c1-2-7-3(8)4-5-6-7/h2H2,1H3,(H,4,6,8)",C3H6N4S,,,,,,JLQLTELAOKOFBV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.686,239-271-7,15219-34-8,Oxalyl bromide,ethanedioyl dibromide,BrC(=O)C(=O)Br,BrC(=O)C(=O)Br,InChI=1/C2Br2O2/c3-1(5)2(4)6,C2Br2O2,,,,,,JAZLVNXWYDFQFE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.493,242-358-2,18479-49-7,"3,7-dimethyloct-1-en-3-ol","3,7-dimethyloct-1-en-3-ol",CC(C)CCCC(C)(O)C=C,CC(C)CCCC(C)(O)C=C,"InChI=1/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3",C10H20O,,,,,,IUDWWFNDSJRYRV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.230,247-569-3,26266-58-0,Anhydro-D-glucitol trioleate,"1,4-anhydro-2,3,6-tri-O-oleoyl-L-iditol",CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@H](O)[C@H]1OC[C@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@H]1OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)[C@H]1OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H]1OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3",C60H108O8,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15041,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.230,ZBNRGEMZNWHCGA-SZOQPXBYSA-N,,,,,,,,,,,
100.043.231,247-570-9,26266-63-7,Tetrahydrophthalic anhydride,"3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",O=C1OC(=O)C2CC=CCC12,O=C1OC(=O)C2CC=CCC12,"InChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2",C8H8O3,,,,,,KMOUUZVZFBCRAM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.246,247-587-1,26292-20-6,Disodium hexadec-2-enylsuccinate,disodium 2-hexadec-2-en-1-ylsuccinate,[Na+].[Na+].[O-]C(=O)CC(CC=CCCCCCCCCCCCCC)C([O-])=O,[Na+].[Na+].[O-]C(=O)CC(CC=CCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C20H36O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;;/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2",C20H36O4.2Na,,,,,,DEETVFJENALINC-UHFFFAOYSA-L,,,,,,,,,,,
100.039.964,243-977-0,20696-57-5,(S)-a-amino-1H-indole-3-propionamide,L-tryptophanamide,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N,"InChI=1/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)",C11H13N3O,,,,,,JLSKPBDKNIXMBS-VIFPVBQESA-N,,,,,,,,,,,
100.039.972,243-985-4,20720-12-1,2-methylallyl propionate,2-methylprop-2-en-1-yl propionate,CCC(=O)OCC(=C)C,CCC(=O)OCC(=C)C,"InChI=1/C7H12O2/c1-4-7(8)9-5-6(2)3/h2,4-5H2,1,3H3",C7H12O2,,,,,,XCOWGEAIBVSRDR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.992,244-007-9,20749-68-2,"8,9,10,11-tetrachloro-12H-phthaloperin-12-one","8,9,10,11-tetrachloro-12H-isoindolo[2,1-a]perimidin-12-one",Clc1c(Cl)c(Cl)c2C3=Nc4cccc5cccc(N3C(=O)c2c1Cl)c45,Clc1c(Cl)c(Cl)c2C3=Nc4cccc5cccc(N3C(=O)c2c1Cl)c45,InChI=1/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H,C18H6Cl4N2O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5385,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.992,UBZVRROHBDDCQY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.993,244-008-4,20752-56-1,Magnesium tartrate,magnesium tartarate,[Mg+2].OC(C(O)C(=O)[O-])C(=O)[O-],[Mg+2].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Mg/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2",C4H6O6.xMg,,,,,,MUZDLCBWNVUYIR-UHFFFAOYSA-L,,,,,,,,,,,
100.041.625,245-803-9,23647-14-5,"Trisodium 4,5-dihydroxy-3-(4-sulphonatophenylazo)naphthalene-2,7-disulphonate","trisodium 4,5-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(cc(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(cc(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H12N2O11S3.3Na/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3",C16H12N2O11S3.3Na,,,,,,AEHGQXKBQBMQEK-UHFFFAOYSA-K,,,,,,,,,,,
100.041.262,245-405-5,23060-42-6,1-amino-4-[(4-methoxyphenyl)amino]anthraquinone,"1-amino-4-[(4-methoxyphenyl)amino]-9,10-anthraquinone",COc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,COc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C21H16N2O3/c1-26-13-8-6-12(7-9-13)23-17-11-10-16(22)18-19(17)21(25)15-5-3-2-4-14(15)20(18)24/h2-11,23H,22H2,1H3",C21H16N2O3,,,,,,MMFCPKYGMSQKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.275,245-419-1,23077-61-4,4'-chloro-2-hydroxycarbazole-1-carboxanilide,N-(4-chlorophenyl)-2-hydroxy-9H-carbazole-1-carboxamide,Oc1ccc2c3ccccc3[nH]c2c1C(=O)Nc4ccc(Cl)cc4,Oc1ccc2c3ccccc3[nH]c2c1C(=O)Nc4ccc(Cl)cc4,"InChI=1/C19H13ClN2O2/c20-11-5-7-12(8-6-11)21-19(24)17-16(23)10-9-14-13-3-1-2-4-15(13)22-18(14)17/h1-10,22-23H,(H,21,24)",C19H13ClN2O2,,,,,,AIYBQVVTHZHPDG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.276,245-420-7,23081-86-9,1-butyl-4-piperidone,1-butylpiperidin-4-one,CCCCN1CCC(=O)CC1,CCCCN1CCC(=O)CC1,"InChI=1/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3",C9H17NO,,,,,,OCNWYKFGWLGNHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.277,245-421-2,23082-50-0,1-(2-chloro-5-nitrophenyl)ethan-1-one,1-(2-chloro-5-nitrophenyl)ethanone,CC(=O)c1cc(ccc1Cl)[N+](=O)[O-],CC(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C8H6ClNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3",C8H6ClNO3,,,,,,PNXVQYABDFYOFY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.282,245-427-5,23093-74-5,2-(3-tert-butylamino-2-hydroxypropoxy)benzonitrile hydrochloride,2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile hydrochloride,Cl.CC(C)(C)NCC(O)COc1ccccc1C#N,Cl.CC(C)(C)NCC(O)COc1ccccc1C#N,"InChI=1/C14H20N2O2.ClH/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15;/h4-7,12,16-17H,9-10H2,1-3H3;1H",C14H20N2O2.ClH,,,,,,RJPWESHPIMRNNM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.283,245-428-0,23099-21-0,Piperidine-3-methylamine,1-piperidin-3-ylmethanamine,NCC1CCCNC1,NCC1CCCNC1,"InChI=1/C6H14N2/c7-4-6-2-1-3-8-5-6/h6,8H,1-5,7H2",C6H14N2,,,,,,IPOVLZSJBYKHHU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.284,245-429-6,23099-64-1,"2,2'-[(6-anilino-1,3,5-triazine-2,4-diyl)diimino]bisethanol","2,2'-[(6-anilino-1,3,5-triazine-2,4-diyl)diimino]diethanol",OCCNc1nc(NCCO)nc(Nc2ccccc2)n1,OCCNc1nc(NCCO)nc(Nc2ccccc2)n1,"InChI=1/C13H18N6O2/c20-8-6-14-11-17-12(15-7-9-21)19-13(18-11)16-10-4-2-1-3-5-10/h1-5,20-21H,6-9H2,(H3,14,15,16,17,18,19)",C13H18N6O2,,,,,,JRPIMCOKQWCEAO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.675,235-959-6,13064-83-0,trans-4-methylcyclohexanecarboxylic acid,4-methylcyclohexanecarboxylic acid,C[C@@H]1CC[C@H](CC1)C(=O)O,C[C@@H]1CC[C@H](CC1)C(=O)O,"InChI=1/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)",C8H14O2,,,,,,QTDXSEZXAPHVBI-LJGSYFOKSA-N,,,,,,,,,,,
100.032.682,235-966-4,13073-35-3,S-ethyl-L-homocysteine,S-ethyl-L-homocysteine,CCSCC[C@H](N)C(=O)O,CCSCC[C@H](N)C(=O)O,"InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",C6H13NO2S,,,,,,GGLZPLKKBSSKCX-YFKPBYRVSA-N,,,,,,,,,,,
100.032.697,235-983-7,13079-20-4,(±)-2-amino-4-methylvaleramide,leucinamide,CC(C)CC(N)C(=O)N,CC(C)CC(N)C(=O)N,"InChI=1/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)",C6H14N2O,,,,,,FORGMRSGVSYZQR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.704,235-991-0,13081-97-5,"2,2-bis(hydroxymethyl)propane-1,3-diyl distearate","2,2-bis(hydroxymethyl)propane-1,3-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-38H2,1-2H3",C41H80O6,,,,,,FSEJJKIPRNUIFL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.705,235-992-6,13082-47-8,"9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydroxide","9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium hydroxide",[OH-].CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,[OH-].CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,"InChI=1/C28H30N2O3.H2O/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H2",C28H31N2O3.HO,,,,,,HKDWCPWFGXASQO-UHFFFAOYSA-M,,,,,,,,,,,
100.036.072,239-696-8,15622-04-5,4-[1-hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]pyrocatechol dihydrochloride,"4-{1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzene-1,2-diol dihydrochloride",Cl.Cl.COc1ccccc1N2CCN(CC(O)c3ccc(O)c(O)c3)CC2,Cl.Cl.COc1ccccc1N2CCN(CC(O)c3ccc(O)c(O)c3)CC2,"InChI=1/C19H24N2O4.2ClH/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14;;/h2-7,12,18,22-24H,8-11,13H2,1H3;2*1H",C19H24N2O4.2ClH,,,,,,PZQYPHRFNJMIQO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.083,239-708-1,15631-71-7,4-[(2-hydroxyethyl)methylamino]benzenediazonium trichlorozincate,4-[(2-hydroxyethyl)(methyl)amino]benzenediazonium trichlorozincate(1-),CN(CCO)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl,CN(CCO)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C9H12N3O.3ClH.Zn/c1-12(6-7-13)9-4-2-8(11-10)3-5-9;;;;/h2-5,13H,6-7H2,1H3;3*1H;/q+1;;;;+2/p-3/rC9H12N3O.Cl3Zn/c1-12(6-7-13)9-4-2-8(11-10)3-5-9;1-4(2)3/h2-5,13H,6-7H2,1H3;/q+1;-1",C9H12N3O.Cl3Zn,,,,,,PEWISOHEOXKHCY-UHFFFAOYSA-K,,,,,,,,,,,
100.036.087,239-712-3,15636-56-3,2-nitrobenzenediazonium tetrachlorozincate (2:1),bis(2-nitrobenzenediazonium) tetrachlorozincate(2-),[O-][N+](=O)c1ccccc1[N+]#N.[O-][N+](=O)c2ccccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,[O-][N+](=O)c1ccccc1[N+]#N.[O-][N+](=O)c2ccccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C6H4N3O2.4ClH.Zn/c2*7-8-5-3-1-2-4-6(5)9(10)11;;;;;/h2*1-4H;4*1H;/q2*+1;;;;;+2/p-4/r2C6H4N3O2.Cl4Zn/c2*7-8-5-3-1-2-4-6(5)9(10)11;1-5(2,3)4/h2*1-4H;/q2*+1;-2",C6H4N3O2.1/2Cl4Zn,,,,,,JWZASEJUHNDVSQ-UHFFFAOYSA-J,,,,,,,,,,,
100.036.107,239-734-3,15663-61-3,2-chloro-5-(4-chlorophenoxy)-4-dimethylaminobenzenediazonium tetrachlorozincate (2:1),bis[2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium] tetrachlorozincate(2-),CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.CN(C)c3cc(Cl)c(cc3Oc4ccc(Cl)cc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.CN(C)c3cc(Cl)c(cc3Oc4ccc(Cl)cc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H12Cl2N3O.4ClH.Zn/c2*1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;;;;;/h2*3-8H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H12Cl2N3O.Cl4Zn/c2*1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;1-5(2,3)4/h2*3-8H,1-2H3;/q2*+1;-2",C14H12Cl2N3O.1/2Cl4Zn,,,,,,KGPCZBNRSRAQBQ-UHFFFAOYSA-J,,,,,,,,,,,
100.036.113,239-741-1,15667-10-4,Cyclohexylidenebis[tert-amyl] peroxide,"1,1-bis[(1,1-dimethylpropyl)peroxy]cyclohexane",CCC(C)(C)OOC1(CCCCC1)OOC(C)(C)CC,CCC(C)(C)OOC1(CCCCC1)OOC(C)(C)CC,"InChI=1/C16H32O4/c1-7-14(3,4)17-19-16(12-10-9-11-13-16)20-18-15(5,6)8-2/h7-13H2,1-6H3",C16H32O4,,,,,,IMYCVFRTNVMHAD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.740,239-331-2,15292-27-0,Sodium zirconium silicate(4:2:3),sodium zirconium silicate(4:2:3),[NaH].[NaH].[NaH].[NaH].[Zr].[Zr].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[NaH].[NaH].[NaH].[NaH].[Zr].[Zr].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/4Na.3O3Si.2Zr.4H/c;;;;3*1-4(2)3;;;;;;/q4*+1;3*-2;2*+2;;;;/r4HNa.3O3Si.2Zr/c;;;;3*1-4(2)3;;/h4*1H;;;;;/q4*+1;3*-2;2*+2,H4O4Si.4/3Na.2/3Zr,,,,,,WLPMZYIOVOPKCU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.745,239-337-5,15301-69-6,Flavoxate,2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate,CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,"InChI=1/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3",C24H25NO4,,,,,,SPIUTQOUKAMGCX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.500,241-267-5,17228-70-5,"3,5-dichloro-4-pyridone","3,5-dichloropyridin-4(1H)-one",ClC1=CNC=C(Cl)C1=O,ClC1=CNC=C(Cl)C1=O,"InChI=1/C5H3Cl2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)",C5H3Cl2NO,,,,,,YKCQWIYRLMNGMO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.179,240-913-3,16881-60-0,"Phenyl 3,5-diisopropylsalicylate","phenyl 2-hydroxy-3,5-diisopropylbenzoate",CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)Oc2ccccc2,CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)Oc2ccccc2,"InChI=1/C19H22O3/c1-12(2)14-10-16(13(3)4)18(20)17(11-14)19(21)22-15-8-6-5-7-9-15/h5-13,20H,1-4H3",C19H22O3,,,,,,YYEAGXUACASJES-UHFFFAOYSA-N,,,,,,,,,,,
100.037.191,240-926-4,16891-37-5,Magnesium diethyl dicarbonate,-,[Mg+2].CCOC(=O)OC(=O)OCC,[Mg+2].CCOC(=O)OC(=O)OCC,"InChI=1/C6H10O5.Mg/c1-3-9-5(7)11-6(8)10-4-2;/h3-4H2,1-2H3;/q;+2",C3H6O3.1/2Mg,,,,,,MLSHDFKPYQNTED-UHFFFAOYSA-N,,,,,,,,,,,
100.037.196,240-932-7,16893-48-4,"4-[[4-chloro-6-[(4-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid","2,5-dichloro-4-(4-{[5-({4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O)c(cc5)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O)c(cc5)S(O)(=O)=O,"InChI=1/C25H18Cl3N9O10S3/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(4-7-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-2-5-14(6-3-12)48(39,40)41/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33)",C25H18Cl3N9O10S3,,,,,,SDNMRBNQFIJFSV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.198,240-934-8,16893-85-9,Disodium hexafluorosilicate,disodium hexafluorosilicate,[Na+].[Na+].F[Si-2](F)(F)(F)(F)F,[Na+].[Na+].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Si.2Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14298,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.198,TWGUZEUZLCYTCG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.199,240-935-3,16893-93-9,Dipotassium hexafluorostannate(2-),dipotassium hexafluorostannate(2-),[K+].[K+].F[Sn-2](F)(F)(F)(F)F,[K+].[K+].F[Sn-2](F)(F)(F)(F)F,"InChI=1/6FH.2K.Sn/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rF6Sn.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Sn.2K,,,,,,GLZWPQHSSWGQOA-UHFFFAOYSA-H,,,,,,,,,,,
100.037.216,240-954-7,16905-14-9,Dipotassium hexaiodoplatinate,dipotassium hexaiodoplatinate(2-),[K+].[K+].I[Pt-2](I)(I)(I)(I)I,[K+].[K+].I[Pt-2](I)(I)(I)(I)I,"InChI=1/6HI.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rI6Pt.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",I6Pt.2K,,,,,,BNJBUDJCJPWKRQ-UHFFFAOYSA-H,,,,,,,,,,,
100.037.218,240-956-8,16909-11-8,"3',5'-dimethoxycinnamic acid","3-(3,5-dimethoxyphenyl)acrylic acid",COc1cc(OC)cc(C=CC(=O)O)c1,COc1cc(OC)cc(C=CC(=O)O)c1,"InChI=1/C11H12O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3,(H,12,13)",C11H12O4,,,,,,VLSRUFWCGBMYDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.219,240-957-3,16909-22-1,Tetraethylammonium benzoate,"N,N,N-triethylethanaminium benzoate",CC[N+](CC)(CC)CC.[O-]C(=O)c1ccccc1,CC[N+](CC)(CC)CC.[O-]C(=O)c1ccccc1,"InChI=1/C8H20N.C7H6O2/c1-5-9(6-2,7-3)8-4;8-7(9)6-4-2-1-3-5-6/h5-8H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1",C8H20N.C7H5O2,,,,,,CIFIGXMZHITUAZ-UHFFFAOYSA-M,,,,,,,,,,,
100.034.575,238-049-7,14198-24-4,"trans-2,5-dimethoxy-4'-nitrostilbene","1,4-dimethoxy-2-[2-(4-nitrophenyl)vinyl]benzene",COc1ccc(OC)c(\\C=C\\c2ccc(cc2)[N+](=O)[O-])c1,COc1ccc(OC)c(\C=C\c2ccc(cc2)[N+](=O)[O-])c1,"InChI=1/C16H15NO4/c1-20-15-9-10-16(21-2)13(11-15)6-3-12-4-7-14(8-5-12)17(18)19/h3-11H,1-2H3",C16H15NO4,,,,,,HVSBSYHEGIPGAW-ZZXKWVIFSA-N,,,,,,,,,,,
100.034.576,238-050-2,14199-15-6,Methyl 4-hydroxyphenylacetate,methyl (4-hydroxyphenyl)acetate,COC(=O)Cc1ccc(O)cc1,COC(=O)Cc1ccc(O)cc1,"InChI=1/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3",C9H10O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18649,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.576,XGDZEDRBLVIUMX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.579,238-053-9,14201-58-2,4-(3-acetyl-4-methoxyphenyl)furan-2(5H)-one,4-(3-acetyl-4-methoxyphenyl)furan-2(5H)-one,COc1ccc(cc1C(=O)C)C2=CC(=O)OC2,COc1ccc(cc1C(=O)C)C2=CC(=O)OC2,"InChI=1/C13H12O4/c1-8(14)11-5-9(3-4-12(11)16-2)10-6-13(15)17-7-10/h3-6H,7H2,1-2H3",C13H12O4,,,,,,PTNTZAYEADFZLE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.582,238-057-0,14205-40-4,"1,2-ethanediyl bis(3-aminobut-2-enoate)","ethane-1,2-diyl bis(3-aminobut-2-enoate)",O=C(OCCOC(=O)C=C(C)N)C=C(C)N,O=C(OCCOC(=O)C=C(C)N)C=C(C)N,"InChI=1/C10H16N2O4/c1-7(11)5-9(13)15-3-4-16-10(14)6-8(2)12/h5-6H,3-4,11-12H2,1-2H3",C10H16N2O4,,,,,,XKZRFLCEABGXJI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.583,238-058-6,14205-42-6,Ethyl 3-(dimethylamino)-2-butenoate,ethyl 3-(dimethylamino)but-2-enoate,CN(C)C(C)=CC(=O)OCC,CN(C)C(C)=CC(=O)OCC,"InChI=1/C8H15NO2/c1-5-11-8(10)6-7(2)9(3)4/h6H,5H2,1-4H3",C8H15NO2,,,,,,CTKXXMXGFDQHTI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.584,238-059-1,14205-47-1,Butanediyl bis(3-aminobut-2-enoate),"butane-1,1-diyl bis(3-aminobut-2-enoate)",O=C(OC(OC(=O)C=C(C)N)CCC)C=C(C)N,O=C(OC(OC(=O)C=C(C)N)CCC)C=C(C)N,"InChI=1/C12H20N2O4/c1-4-5-12(17-10(15)6-8(2)13)18-11(16)7-9(3)14/h6-7,12H,4-5,13-14H2,1-3H3",C12H20N2O4,,,,,,CVVASZHNBUWHRU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.594,238-070-1,14214-89-2,"Potassium (2,4-dichlorophenoxy)acetate","potassium (2,4-dichlorophenoxy)acetate",[K+].[O-]C(=O)COc1ccc(Cl)cc1Cl,[K+].[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.K/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1",C8H6Cl2O3.K,,,,,,XKTWNXNNDKRPHR-UHFFFAOYSA-M,,,,,,,,,,,
100.038.494,242-359-8,18479-51-1,"3,7-dimethyloct-6-en-3-ol","3,7-dimethyloct-6-en-3-ol",CCC(C)(O)CCC=C(C)C,CCC(C)(O)CCC=C(C)C,"InChI=1/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3",C10H20O,,,,,,JRTBBCBDKSRRCY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.625,235-904-6,13036-81-2,"Hexahydro-1,3,5-tripropyl-1,3,5-triazine","1,3,5-tripropyl-1,3,5-triazinane",CCCN1CN(CCC)CN(CCC)C1,CCCN1CN(CCC)CN(CCC)C1,"InChI=1/C12H27N3/c1-4-7-13-10-14(8-5-2)12-15(11-13)9-6-3/h4-12H2,1-3H3",C12H27N3,,,,,,DPHBVWJGMBYPMK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.632,235-911-4,13040-19-2,Zinc diricinoleate,zinc bis(12-hydroxyoctadec-9-enoate),[Zn+2].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Zn+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O3.Zn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H34O3.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11303,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.632,GAWWVVGZMLGEIW-GNNYBVKZSA-L,,,,,,,,,,,
100.032.633,235-913-5,13040-98-7,"2-Naphthacenecarboxamide, N-[[4-[[(aminoiminomethyl)amino]iminomethyl]-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, dihydrochloride, [4S-(4a,4aa,5aa,6ß,12aa)]-","N-{[4-(carbamimidoylcarbamimidoyl)piperazin-1-yl]methyl}-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CC4)C(=N)NC(=N)N)C(=O)c5c(O)cccc5C3(C)O,CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CC4)C(=N)NC(=N)N)C(=O)c5c(O)cccc5C3(C)O,"InChI=1/C29H38N8O8/c1-28(44)13-5-4-6-16(38)17(13)21(39)18-14(28)11-15-20(35(2)3)22(40)19(24(42)29(15,45)23(18)41)25(43)33-12-36-7-9-37(10-8-36)27(32)34-26(30)31/h4-6,14-15,20,38,40-41,44-45H,7-12H2,1-3H3,(H,33,43)(H5,30,31,32,34)",C29H38N8O8.2ClH,,,,,,DIRJDIBCAHCCFL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.636,235-916-1,13042-38-1,"1,4:3,6-dianhydro-D-glucitol diacetate","2,5-di-O-acetyl-1,4:3,6-dianhydro-D-glucitol",CC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)C,CC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)C,"InChI=1/C10H14O6/c1-5(11)15-7-3-13-10-8(16-6(2)12)4-14-9(7)10/h7-10H,3-4H2,1-2H3",C10H14O6,,,,,,NEZQWZBCEHOWJS-UTINFBMNSA-N,,,,,,,,,,,
100.032.639,235-919-8,13043-66-8,"(Z)-1,1-diethoxytridec-2-ene","1,1-diethoxytridec-2-ene",CCCCCCCCCC\\C=C/C(OCC)OCC,CCCCCCCCCC\C=C/C(OCC)OCC,"InChI=1/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h15-17H,4-14H2,1-3H3",C17H34O2,,,,,,DYLMMQAVDJNRKJ-NXVVXOECSA-N,,,,,,,,,,,
100.032.643,235-924-5,13048-99-2,Butyl aminoacetate hydrochloride,butyl glycinate hydrochloride,Cl.CCCCOC(=O)CN,Cl.CCCCOC(=O)CN,"InChI=1/C6H13NO2.ClH/c1-2-3-4-9-6(8)5-7;/h2-5,7H2,1H3;1H",C6H13NO2.ClH,,,,,,ZPWHHLDCVYWJJO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.645,235-926-6,13050-47-0,m-toluohydrazide,3-methylbenzohydrazide,Cc1cccc(c1)C(=O)NN,Cc1cccc(c1)C(=O)NN,"InChI=1/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",C8H10N2O,,,,,,XFNNAMBYJSQXKF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.647,235-928-7,13051-32-6,"Dimethyl 2,2-dimethylglutarate","dimethyl 2,2-dimethylpentanedioate",COC(=O)CCC(C)(C)C(=O)OC,COC(=O)CCC(C)(C)C(=O)OC,"InChI=1/C9H16O4/c1-9(2,8(11)13-4)6-5-7(10)12-3/h5-6H2,1-4H3",C9H16O4,,,,,,FNUCRTXRRVUFJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.648,235-929-2,13051-48-4,Isobutyl pyruvate,isobutyl 2-oxopropanoate,CC(C)COC(=O)C(=O)C,CC(C)COC(=O)C(=O)C,"InChI=1/C7H12O3/c1-5(2)4-10-7(9)6(3)8/h5H,4H2,1-3H3",C7H12O3,,,,,,WFERWTFFEKELDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.652,235-933-4,13052-07-8,"1,1,4,4-tetramethyltetramethylene peroxynonanoate","2,5-dimethylhexane-2,5-diyl dinonaneperoxoate",CCCCCCCCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)CCCCCCCC,CCCCCCCCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)CCCCCCCC,"InChI=1/C26H50O6/c1-7-9-11-13-15-17-19-23(27)29-31-25(3,4)21-22-26(5,6)32-30-24(28)20-18-16-14-12-10-8-2/h7-22H2,1-6H3",C26H50O6,,,,,,QJRGOYGWWVYKGX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.659,235-941-8,13055-06-6,"N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)glycine","2,2'-[(2,4,6-trioxohexahydropyrimidin-5-yl)imino]diacetic acid",OC(=O)CN(CC(=O)O)C1C(=O)NC(=O)NC1=O,OC(=O)CN(CC(=O)O)C1C(=O)NC(=O)NC1=O,"InChI=1/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)",C8H9N3O7,,,,,,QDHGQJQZPJPKJK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.022,239-641-8,15578-51-5,Trititanium tetrakis(phosphate),trititanium tetrakis(phosphate),[Ti+2].[Ti+2].[Ti+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Ti+2].[Ti+2].[Ti+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/4H3O4P.3Ti/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+2/p-12",H3O4P.3/4Ti,,,,,,QWUXJJUTOXZCLB-UHFFFAOYSA-B,,,,,,,,,,,
100.036.029,239-649-1,15587-72-1,Rubidium hydrogen sulphate,rubidium hydrogen sulfate,[Rb+].[O-]S(=O)(=O)[O-],[Rb+].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.Rb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+1/p-2",H2O4S.Rb,,,,,,SCWZRXZHBXDDBE-UHFFFAOYSA-L,,,,,,,,,,,
100.036.030,239-650-7,15588-62-2,Hydroxylammonium perchlorate,hydroxyammonium perchlorate,[NH3+]O.[O-]Cl(=O)(=O)=O,[NH3+]O.[O-]Cl(=O)(=O)=O,"InChI=1/ClHO4.H4NO/c2-1(3,4)5;1-2/h(H,2,3,4,5);2H,1H3/q;+1/p-1",ClHO4.H3NO,,,,,,RPRUGAJYFRREQE-UHFFFAOYSA-M,,,,,,,,,,,
100.041.290,245-435-9,23117-71-7,2-(bromomethyl)-9H-thioxanthen-9-one,2-(bromomethyl)-9H-thioxanthen-9-one,BrCc1ccc2Sc3ccccc3C(=O)c2c1,BrCc1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C14H9BrOS/c15-8-9-5-6-13-11(7-9)14(16)10-3-1-2-4-12(10)17-13/h1-7H,8H2",C14H9BrOS,,,,,,UHMPEFGBZXKWTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.292,245-438-5,23119-35-9,"4,8-diamino-2-[p-(2-ethoxyethoxy)phenyl]-1,5-dihydroxyanthraquinone","4,8-diamino-2-[4-(2-ethoxyethoxy)phenyl]-1,5-dihydroxy-9,10-anthraquinone",CCOCCOc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,CCOCCOc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,"InChI=1/C24H22N2O6/c1-2-31-9-10-32-13-5-3-12(4-6-13)14-11-16(26)19-21(22(14)28)24(30)18-15(25)7-8-17(27)20(18)23(19)29/h3-8,11,27-28H,2,9-10,25-26H2,1H3",C24H22N2O6,,,,,,VNWSDQPCIMGECC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.293,245-439-0,23127-83-5,"Methyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate","methyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydrofuran-2-carboxylate",COC(=O)C1(CC(=O)C)OC(=O)C(=C1C(=O)C)O,COC(=O)C1(CC(=O)C)OC(=O)C(=C1C(=O)C)O,"InChI=1/C11H12O7/c1-5(12)4-11(10(16)17-3)7(6(2)13)8(14)9(15)18-11/h14H,4H2,1-3H3",C11H12O7,,,,,,TWGZLLBNCWEGDE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.302,245-449-5,23142-01-0,"Diethyl[2-[2-[(1-phenylcyclopentyl)formyloxy]ethoxy]ethyl]ammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate","N,N-diethyl-2-(2-{[(1-phenylcyclopentyl)carbonyl]oxy}ethoxy)ethanaminium dihydrogen citrate",CC[NH+](CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC[NH+](CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C20H31NO3.C6H8O7,,,,,,AKJDEXBCRLOVTH-UHFFFAOYSA-L,,,,,,,,,,,
100.046.137,250-767-2,31698-46-1,"Adipic acid, compound with 1-methyldodecylamine (1:1)",hexanedioic acid - tridecan-2-amine (1:1),CCCCCCCCCCCC(C)N.OC(=O)CCCCC(=O)O,CCCCCCCCCCCC(C)N.OC(=O)CCCCC(=O)O,"InChI=1/C13H29N.C6H10O4/c1-3-4-5-6-7-8-9-10-11-12-13(2)14;7-5(8)3-1-2-4-6(9)10/h13H,3-12,14H2,1-2H3;1-4H2,(H,7,8)(H,9,10)",C13H29N.C6H10O4,,,,,,KSSLXPBOOBFKAE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.144,250-775-6,31715-42-1,1-amino-5-hydroxy-4-[(1-methylpropyl)amino]-8-nitroanthraquinone,"1-amino-4-(sec-butylamino)-5-hydroxy-8-nitro-9,10-anthraquinone",CCC(C)Nc1ccc(N)c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-],CCC(C)Nc1ccc(N)c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-],"InChI=1/C18H17N3O5/c1-3-8(2)20-10-5-4-9(19)13-14(10)18(24)16-12(22)7-6-11(21(25)26)15(16)17(13)23/h4-8,20,22H,3,19H2,1-2H3",C18H17N3O5,,,,,,WQNHLAKNRJAPAL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.153,250-785-0,31738-06-4,"N,N'-ethylenebis(3,4,5,6-tetrachlorophthalimide)","2,2'-ethane-1,2-diylbis(4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione)",Clc1c(Cl)c(Cl)c2C(=O)N(CCN3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)C(=O)c2c1Cl,Clc1c(Cl)c(Cl)c2C(=O)N(CCN3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)C(=O)c2c1Cl,InChI=1/C18H4Cl8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2,C18H4Cl8N2O4,,,,,,UXBPFRRDCKDGFX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.154,250-786-6,31742-65-1,Methyl dibromopropionate,"methyl 2,2-dibromopropanoate",COC(=O)C(C)(Br)Br,COC(=O)C(C)(Br)Br,"InChI=1/C4H6Br2O2/c1-4(5,6)3(7)8-2/h1-2H3",C4H6Br2O2,,,,,,OGRACAVRFYYZQA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.156,250-788-7,31748-25-1,Nickel silicate(3:4),nickel silicate(3:4),[Ni].[Ni].[Ni].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Ni].[Ni].[Ni].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/3Ni.4O3Si/c;;;4*1-4(2)3/q3*+2;4*-2,H2O3Si.3/4Ni,,,,,,ZPBAAFOUUUQSDV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.165,250-798-1,31775-17-4,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-ethoxyphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-ethoxyphenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1OCC)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3OCC)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1OCC)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3OCC)c(Cl)c4,"InChI=1/C36H34Cl2N6O6/c1-5-49-31-13-9-7-11-29(31)39-35(47)33(21(3)45)43-41-27-17-15-23(19-25(27)37)24-16-18-28(26(38)20-24)42-44-34(22(4)46)36(48)40-30-12-8-10-14-32(30)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48)",C36H34Cl2N6O6,,,,,,LJUPKWWNSAQNRV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.166,250-799-7,31775-20-9,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-ethoxyphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(4-ethoxyphenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(OCC)cc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OCC)cc3)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(OCC)cc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OCC)cc3)c(Cl)c4,"InChI=1/C36H34Cl2N6O6/c1-5-49-27-13-9-25(10-14-27)39-35(47)33(21(3)45)43-41-31-17-7-23(19-29(31)37)24-8-18-32(30(38)20-24)42-44-34(22(4)46)36(48)40-26-11-15-28(16-12-26)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48)",C36H34Cl2N6O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11673,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.166,LNBRYDZEIVHGHO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.168,250-801-6,31778-15-1,Octadecyl 3-mercaptopropionate,octadecyl 3-sulfanylpropanoate,CCCCCCCCCCCCCCCCCCOC(=O)CCS,CCCCCCCCCCCCCCCCCCOC(=O)CCS,"InChI=1/C21H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(22)18-20-24/h24H,2-20H2,1H3",C21H42O2S,,,,,,UCUPUEARJPTGKU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.504,241-271-7,17233-65-7,"(E)-2,2'-vinylenebis[5-methylbenzoxazole]","2,2'-ethene-1,2-diylbis(5-methyl-1,3-benzoxazole)",Cc1ccc2oc(C=Cc3oc4ccc(C)cc4n3)nc2c1,Cc1ccc2oc(C=Cc3oc4ccc(C)cc4n3)nc2c1,"InChI=1/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3",C18H14N2O2,,,,,,VKRZNAWSCAUDRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.520,241-289-5,17256-39-2,2-chloro-1-methylethyl(dimethyl)amine hydrochloride,"1-chloro-N,N-dimethylpropan-2-amine hydrochloride",Cl.CC(CCl)N(C)C,Cl.CC(CCl)N(C)C,"InChI=1/C5H12ClN.ClH/c1-5(4-6)7(2)3;/h5H,4H2,1-3H3;1H",C5H12ClN.ClH,,,,,,XVJVDXVBVSCWOF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.522,241-291-6,17256-78-9,Hydroxylammonium fluoride,hydroxyammonium fluoride,[F-].[NH3+]O,[F-].[NH3+]O,"InChI=1/FH.H4NO/c;1-2/h1H;2H,1H3/q;+1/p-1",FH.H3NO,,,,,,UGBLTLNLJFLEPB-UHFFFAOYSA-M,,,,,,,,,,,
100.037.528,241-297-9,17264-74-3,Sodium 2-chlorobenzoate,sodium 2-chlorobenzoate,[Na+].[O-]C(=O)c1ccccc1Cl,[Na+].[O-]C(=O)c1ccccc1Cl,"InChI=1/C7H5ClO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1",C7H5ClO2.Na,,,,,,OJLSABVGUWNJKD-UHFFFAOYSA-M,,,,,,,,,,,
100.032.710,235-997-3,13086-86-7,"Bis(1,3-dimethylbutyl) phosphonate","bis(1,3-dimethylbutyl) phosphonate",CC(C)CC(C)OP(=O)OC(C)CC(C)C,CC(C)CC(C)OP(=O)OC(C)CC(C)C,"InChI=1/C12H27O3P/c1-9(2)7-11(5)14-16(13)15-12(6)8-10(3)4/h9-12,16H,7-8H2,1-6H3",C12H27O3P,,,,,,OEHWTIDRTXIMSA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.718,236-006-7,13093-05-5,"N,N'-diethylhexamethylenediamine","N,N'-diethylhexane-1,6-diamine",CCNCCCCCCNCC,CCNCCCCCCNCC,"InChI=1/C10H24N2/c1-3-11-9-7-5-6-8-10-12-4-2/h11-12H,3-10H2,1-2H3",C10H24N2,,,,,,LDQWVRMGQLAWMN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.729,236-018-2,13100-46-4,"ß-D-glucose 1,2,3,4-tetraacetate","1,2,3,4-tetra-O-acetylhexopyranose",CC(=O)OC1OC(CO)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,CC(=O)OC1OC(CO)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,"InChI=1/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3",C14H20O10,,,,,,FEQXFAYSNRWXDW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.730,236-019-8,13101-26-3,N-cyano-N'-(hydroxymethyl)guanidine,1-cyano-3-(hydroxymethyl)guanidine,OCNC(=N)NC#N,OCNC(=N)NC#N,"InChI=1/C3H6N4O/c4-1-6-3(5)7-2-8/h8H,2H2,(H3,5,6,7)",C3H6N4O,,,,,,XFIZJENETBUYNB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.734,236-024-5,13103-34-9,Boldenone undec-10-enoate,"3-oxoandrosta-1,4-dien-17-yl undec-10-enoate",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,"InChI=1/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3",C30H44O3,,,,,,AHMMSNQYOPMLSX-CNQKSJKFSA-N,,,,,,,,,,,
100.032.739,236-029-2,13106-44-0,[2-(acryloyloxy)ethyl]trimethylammonium methyl sulphate,"2-(acryloyloxy)-N,N,N-trimethylethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CCOC(=O)C=C,COS(=O)(=O)[O-].C[N+](C)(C)CCOC(=O)C=C,"InChI=1/C8H16NO2.CH4O4S/c1-5-8(10)11-7-6-9(2,3)4;1-5-6(2,3)4/h5H,1,6-7H2,2-4H3;1H3,(H,2,3,4)/q+1;/p-1",C8H16NO2.CH3O4S,,,,,,UZLGVMYVDYNSCS-UHFFFAOYSA-M,,,,,,,,,,,
100.032.742,236-032-9,13107-00-1,Diallyldiethylammonium chloride,"N-allyl-N,N-diethylprop-2-en-1-aminium chloride",[Cl-].CC[N+](CC)(CC=C)CC=C,[Cl-].CC[N+](CC)(CC=C)CC=C,"InChI=1/C10H20N.ClH/c1-5-9-11(7-3,8-4)10-6-2;/h5-6H,1-2,7-10H2,3-4H3;1H/q+1;/p-1",C10H20N.Cl,,,,,,IOMDIVZAGXCCAC-UHFFFAOYSA-M,,,,,,,,,,,
100.032.744,236-035-5,13108-52-6,"2,3,5,6-tetrachloro-4-(methylsulphonyl)pyridine","2,3,5,6-tetrachloro-4-(methylsulfonyl)pyridine",CS(=O)(=O)c1c(Cl)c(Cl)nc(Cl)c1Cl,CS(=O)(=O)c1c(Cl)c(Cl)nc(Cl)c1Cl,"InChI=1/C6H3Cl4NO2S/c1-14(12,13)4-2(7)5(9)11-6(10)3(4)8/h1H3",C6H3Cl4NO2S,,,,,,NMCCNOZOBBWFMN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.745,236-036-0,13109-70-1,Endo-bornyl butyrate,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl butyrate",CCCC(=O)OC1CC2CCC1(C)C2(C)C,CCCC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3",C14H24O2,,,,,,VIPNQHBVIDJXJE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.749,236-040-2,13114-87-9,[3-(trifluoromethyl)phenyl]urea,1-[3-(trifluoromethyl)phenyl]urea,NC(=O)Nc1cccc(c1)C(F)(F)F,NC(=O)Nc1cccc(c1)C(F)(F)F,"InChI=1/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)",C8H7F3N2O,,,,,,FQEIBEOBXKJAMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.250,237-691-5,13925-00-3,Ethylpyrazine,2-ethylpyrazine,CCc1cnccn1,CCc1cnccn1,"InChI=1/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3",C6H8N2,,,,,,KVFIJIWMDBAGDP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.251,237-692-0,13925-03-6,2-ethyl-6-methylpyrazine,2-ethyl-6-methylpyrazine,CCc1cncc(C)n1,CCc1cncc(C)n1,"InChI=1/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3",C7H10N2,,,,,,RAFHQTNQEZECFL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.252,237-693-6,13925-06-9,2-methyl-3-(2-methylpropyl)pyrazine,2-isobutyl-3-methylpyrazine,CC(C)Cc1nccnc1C,CC(C)Cc1nccnc1C,"InChI=1/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3",C9H14N2,,,,,,ZHMIODDNZRIENW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.253,237-694-1,13925-07-0,"2-ethyl-3,5-dimethylpyrazine","2-ethyl-3,5-dimethylpyrazine",CCc1ncc(C)nc1C,CCc1ncc(C)nc1C,"InChI=1/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3",C8H12N2,,,,,,JZBCTZLGKSYRSF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.613,238-091-6,14221-48-8,Triammonium hexacyanoferrate,-,[NH4+].[NH4+].[NH4+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N,[NH4+].[NH4+].[NH4+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Fe.3H3N/c6*1-2;;;;/h;;;;;;;3*1H3/p+3/rC6FeN6.3H3N/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;/h;3*1H3/p+3",C6FeN6.3H4N,,,,,,RHGQHPKUDOFZPE-UHFFFAOYSA-Q,,,,,,,,,,,
100.034.616,238-094-2,14224-22-7,4-methylphenyl cyclohexanecarboxylate,4-methylphenyl cyclohexanecarboxylate,Cc1ccc(OC(=O)C2CCCCC2)cc1,Cc1ccc(OC(=O)C2CCCCC2)cc1,"InChI=1/C14H18O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3",C14H18O2,,,,,,ROILWCFQYYHWEB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.620,238-098-4,14228-73-0,"1,4-bis[(2,3-epoxypropoxy)methyl]cyclohexane","2,2'-[cyclohexane-1,4-diylbis(methyleneoxymethylene)]dioxirane",C(OCC1CO1)C2CCC(COCC3CO3)CC2,C(OCC1CO1)C2CCC(COCC3CO3)CC2,"InChI=1/C14H24O4/c1-2-12(6-16-8-14-10-18-14)4-3-11(1)5-15-7-13-9-17-13/h11-14H,1-10H2",C14H24O4,,,,,,VQMQXWYQIIUJIT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.341,242-192-0,18306-29-1,Bis(trimethylsilyl) sulphate,bis(trimethylsilyl) sulfate,C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C,C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C,"InChI=1/C6H18O4SSi2/c1-12(2,3)9-11(7,8)10-13(4,5)6/h1-6H3",C6H18O4SSi2,,,,,,KRUQDZRWZXUUAD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.346,242-197-8,18312-04-4,"Octanoic acid, zirconium salt",-,[Zr+2].CCCCCCCC(=O)[O-],[Zr+2].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Zr/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+2/p-1",C8H16O2.xZr,,,,,,IUCLDOXFZQCECQ-UHFFFAOYSA-M,,,,,,,,,,,
100.038.349,242-200-2,18312-31-7,Octadecyl octanoate,octadecyl octanoate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC,"InChI=1/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h3-25H2,1-2H3",C26H52O2,,,,,,VNLRTFSQCPNNIM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.355,242-207-0,18319-92-1,4-methyl-2-oxo-2H-1-benzopyran-7-yl heptanoate,4-methyl-2-oxo-2H-chromen-7-yl heptanoate,CCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C17H20O4/c1-3-4-5-6-7-16(18)20-13-8-9-14-12(2)10-17(19)21-15(14)11-13/h8-11H,3-7H2,1-2H3",C17H20O4,,,,,,FFNBFZWIBOIPIV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.358,242-210-7,18323-58-5,4-methyl-2-oxo-2H-1-benzopyran-7-yl oleate,4-methyl-2-oxo-2H-chromen-7-yl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCCCCCCC\C=C/CCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C28H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(29)31-24-19-20-25-23(2)21-28(30)32-26(25)22-24/h10-11,19-22H,3-9,12-18H2,1-2H3",C28H40O4,,,,,,NKQFKJYKCVDLPT-KHPPLWFESA-N,,,,,,,,,,,
100.038.372,242-225-9,18349-11-6,4-chloro-2-fluoro-5-nitrotoluene,1-chloro-5-fluoro-4-methyl-2-nitrobenzene,Cc1cc(c(Cl)cc1F)[N+](=O)[O-],Cc1cc(c(Cl)cc1F)[N+](=O)[O-],"InChI=1/C7H5ClFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3",C7H5ClFNO2,,,,,,SJDPAVRCQNFVDM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.373,242-226-4,18357-78-3,S-(4-methoxybenzyl) diethylthiocarbamate,S-(4-methoxybenzyl) diethylthiocarbamate,CCN(CC)C(=O)SCc1ccc(OC)cc1,CCN(CC)C(=O)SCc1ccc(OC)cc1,"InChI=1/C13H19NO2S/c1-4-14(5-2)13(15)17-10-11-6-8-12(16-3)9-7-11/h6-9H,4-5,10H2,1-3H3",C13H19NO2S,,,,,,BUHNESFUCHPWED-UHFFFAOYSA-N,,,,,,,,,,,
100.035.751,239-343-8,15306-17-9,"Tris(ethyl acetoacetato-O1',O3)aluminium",tris[1-(ethoxycarbonyl)-2-oxopropyl]aluminum,CCOC(=O)C([Al](C(C(=O)C)C(=O)OCC)C(C(=O)C)C(=O)OCC)C(=O)C,CCOC(=O)C([Al](C(C(=O)C)C(=O)OCC)C(C(=O)C)C(=O)OCC)C(=O)C,"InChI=1/3C6H9O3.Al/c3*1-3-9-6(8)4-5(2)7;/h3*4H,3H2,1-2H3;/rC18H27AlO9/c1-7-26-16(23)13(10(4)20)19(14(11(5)21)17(24)27-8-2)15(12(6)22)18(25)28-9-3/h13-15H,7-9H2,1-6H3",C18H27AlO9,,,,,,KBONOSHTNPESIN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.752,239-344-3,15306-30-6,"Lauric acid, lead salt",-,[Pb].OC(=O)CCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCC,"InChI=1/C12H24O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-11H2,1H3,(H,13,14);;;/q;+4;;/rC12H24O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);1H2/q;+4",C12H24O2.xPb,,,,,,XGHRXRCHWSKLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.754,239-346-4,15307-79-6,"Sodium [2-[(2,6-dichlorophenyl)amino]phenyl]acetate","sodium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate",[Na+].[O-]C(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,[Na+].[O-]C(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,"InChI=1/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1",C14H11Cl2NO2.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13423,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.754,KPHWPUGNDIVLNH-UHFFFAOYSA-M,,,,,,,,,,,
100.035.762,239-355-3,15318-45-3,Thiamphenicol,"2,2-dichloro-N-{2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide",CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl,CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl,"InChI=1/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)",C12H15Cl2NO5S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19068,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.762,OTVAEFIXJLOWRX-NXEZZACHSA-N,,,,,,,,,,,
100.035.768,239-362-1,15332-99-7,Tris(isopropenyloxy)vinylsilane,[tris(isopropenyloxy)vinyl]silane,CC(=C)OC(=C(OC(=C)C)OC(=C)C)[SiH3],CC(=C)OC(=C(OC(=C)C)OC(=C)C)[SiH3],"InChI=1/C11H18O3Si/c1-7(2)12-10(13-8(3)4)11(15)14-9(5)6/h1,3,5H2,2,4,6,15H3",C11H18O3Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17732,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.768,KYKOLLMOZYNYLX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.032,239-652-8,15589-64-7,2-(3-sulphopropyl)isoquinolinium hydroxide,2-(3-sulfopropyl)isoquinolinium hydroxide,[OH-].OS(=O)(=O)CCC[n+]1ccc2ccccc2c1,[OH-].OS(=O)(=O)CCC[n+]1ccc2ccccc2c1,"InChI=1/C12H13NO3S.H2O/c14-17(15,16)9-3-7-13-8-6-11-4-1-2-5-12(11)10-13;/h1-2,4-6,8,10H,3,7,9H2;1H2",C12H13NO3S,,,,,,ZMEIEJHEHPRCGT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.034,239-654-9,15590-11-1,"2-ethyl-2-[[(1-oxohexadecyl)oxy]methyl]propane-1,3-diyl bispalmitate","2,2-bis[(palmitoyloxy)methyl]butyl palmitate (non-preferred name)",CCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C54H104O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-51(55)58-48-54(8-4,49-59-52(56)46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)50-60-53(57)47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-50H2,1-4H3",C54H104O6,,,,,,SNVRYGMDRIKHED-UHFFFAOYSA-N,,,,,,,,,,,
100.036.038,239-659-6,15591-90-9,"(3'a,4'a,7'a,7'aa)-octahydrospiro[1,3-dioxolane-2,5'-[4,7]methano[5H]indene]","octahydrospiro[1,3-dioxolane-2,5'-[4,7]methanoindene]",C1C[C@H]2[C@@H]3CC(C2C1)C4(C3)OCCO4,C1C[C@H]2[C@@H]3CC(C2C1)C4(C3)OCCO4,"InChI=1/C12H18O2/c1-2-9-8-6-11(10(9)3-1)12(7-8)13-4-5-14-12/h8-11H,1-7H2",C12H18O2,,,,,,HIDQGLHUSVXEQZ-MFQSTILNSA-N,,,,,,,,,,,
100.036.039,239-660-1,15592-29-7,"2,2-dimethylpropyl isocyanate","1-isocyanato-2,2-dimethylpropane",CC(C)(C)CN=C=O,CC(C)(C)CN=C=O,"InChI=1/C6H11NO/c1-6(2,3)4-7-5-8/h4H2,1-3H3",C6H11NO,,,,,,USXSCBCCYNVIPN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.049,239-671-1,15593-82-5,Hexasodium diorthosilicate,hexasodium diorthosilicate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-],"InChI=1/6Na.2O4Si/c;;;;;;2*1-5(2,3)4/q6*+1;2*-4",H6O7Si2.6Na,,,,,,JDISHKHEGWYBES-UHFFFAOYSA-N,,,,,,,,,,,
100.036.055,239-677-4,15596-83-5,Thallium(3+) perchlorate,thallium(3+) triperchlorate,[Tl+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Tl+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Tl/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Tl,,,,,,ICUPVABCPRSYKW-UHFFFAOYSA-K,,,,,,,,,,,
100.036.057,239-680-0,15599-52-7,Broquinaldol,"5,7-dibromo-2-methylquinolin-8-ol",Cc1ccc2c(Br)cc(Br)c(O)c2n1,Cc1ccc2c(Br)cc(Br)c(O)c2n1,"InChI=1/C10H7Br2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",C10H7Br2NO,,,,,,BNACJQWJZKPAPV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.061,239-684-2,15600-71-2,Iron(3+) antimonate,iron(3+) antimonate,[Fe+3].[O-][Sb](=O)([O-])[O-],[Fe+3].[O-][Sb](=O)([O-])[O-],"InChI=1/Fe.4O.Sb/q+3;;3*-1;/rFe.O4Sb/c;1-5(2,3)4/q+3;-3",FeO4Sb,,,,,,CJYHBJFWBKCALD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.062,239-685-8,15602-15-0,Magnesium 2-ethylhexanoate,magnesium bis(2-ethylhexanoate),[Mg+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Mg+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Mg/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Mg,,,,,,CGSNFLLWLBPMLH-UHFFFAOYSA-L,,,,,,,,,,,
100.033.034,236-352-9,13319-69-2,"2,3-dimethylbenzophenone","(2,3-dimethylphenyl)(phenyl)methanone",Cc1cccc(C(=O)c2ccccc2)c1C,Cc1cccc(C(=O)c2ccccc2)c1C,"InChI=1/C15H14O/c1-11-7-6-10-14(12(11)2)15(16)13-8-4-3-5-9-13/h3-10H,1-2H3",C15H14O,,,,,,ZSQCNVWYBBKUHS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.043,236-362-3,13324-11-3,Methyl 2-chloro-4-nitrobenzoate,methyl 2-chloro-4-nitrobenzoate,COC(=O)c1ccc(cc1Cl)[N+](=O)[O-],COC(=O)c1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C8H6ClNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3",C8H6ClNO4,,,,,,PICNSXCJRMYANX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.044,236-363-9,13324-20-4,"1-amino-4-(2'-(4',6'-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-2,4'-disulphonic acid","1-amino-4-({3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Cl)n5)c4)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Cl)n5)c4)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)",C23H14Cl2N6O8S2,,,,,,RTLULCVBFCRQKI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.051,236-371-2,13329-14-1,2-phenyl-1-benzopyrylium chloride,2-phenylchromenium chloride,[Cl-].c1ccc(cc1)c2ccc3ccccc3[o+]2,[Cl-].c1ccc(cc1)c2ccc3ccccc3[o+]2,InChI=1/C15H11O.ClH/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-11H;1H/q+1;/p-1,C15H11O.Cl,,,,,,GSGBDETVUFKCRJ-UHFFFAOYSA-M,,,,,,,,,,,
100.033.057,236-378-0,13329-71-0,N-isopropyloctadecylamine,N-isopropyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNC(C)C,CCCCCCCCCCCCCCCCCCNC(C)C,"InChI=1/C21H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h21-22H,4-20H2,1-3H3",C21H45N,,,,,,WHFZOMWNDCWQRF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.627,250-206-1,30452-69-8,"L-cystine S,S-dioxide",2-amino-3-{[(2-amino-2-carboxyethyl)sulfanyl]sulfonyl}propanoic acid (non-preferred name),NC(CSS(=O)(=O)CC(N)C(=O)O)C(=O)O,NC(CSS(=O)(=O)CC(N)C(=O)O)C(=O)O,"InChI=1/C6H12N2O6S2/c7-3(5(9)10)1-15-16(13,14)2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",C6H12N2O6S2,,,,,,RXQXJZDPDXVIEN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.631,250-210-3,30459-17-7,1-[4-(trifluoromethyl)phenyl]piperazine,1-[4-(trifluoromethyl)phenyl]piperazine,FC(F)(F)c1ccc(cc1)N2CCNCC2,FC(F)(F)c1ccc(cc1)N2CCNCC2,"InChI=1/C11H13F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-4,15H,5-8H2",C11H13F3N2,,,,,,IBQMAPSJLHRQPE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.632,250-211-9,30460-92-5,(±)-2(10)-pinen-3-one,"6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one",CC1(C)C2CC1C(=C)C(=O)C2,CC1(C)C2CC1C(=C)C(=O)C2,"InChI=1/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3",C10H14O,,,,,,TZDMGBLPGZXHJI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.635,250-215-0,30473-39-3,"Disodium 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium hydroxide",-,[OH-].[Na+].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,[OH-].[Na+].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C24H46N2O3.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23,20-21-27)22-24(28)29;;;/h27H,2-22H2,1H3;;;1H2/q;2*+1;",C24H47N2O3.HO.2Na,,,,,,NEQKVTLHBFRMKO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.638,250-218-7,30496-78-7,"Octahydrodimethyl-4,7-methano-1H-indene","1,1-dimethyloctahydro-1H-4,7-methanoindene",CC1(C)CCC2C3CCC(C3)C12,CC1(C)CCC2C3CCC(C3)C12,"InChI=1/C12H20/c1-12(2)6-5-10-8-3-4-9(7-8)11(10)12/h8-11H,3-7H2,1-2H3",C12H20,,,,,,CDDYFYBRZJSGNG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.647,250-228-1,30526-22-8,Potassium toluenesulphonate,potassium 2-methylbenzenesulfonate,[K+].Cc1ccccc1S(=O)(=O)[O-],[K+].Cc1ccccc1S(=O)(=O)[O-],"InChI=1/C7H8O3S.K/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",C7H8O3S.K,,,,,,IHNDQUQOHMIOHB-UHFFFAOYSA-M,,,,,,,,,,,
100.045.648,250-229-7,30529-70-5,2-chloro-6-methylnicotinic acid,2-chloro-6-methylnicotinic acid,Cc1ccc(C(=O)O)c(Cl)n1,Cc1ccc(C(=O)O)c(Cl)n1,"InChI=1/C7H6ClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11)",C7H6ClNO2,,,,,,ACQXHCHKMFYDPM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.666,250-249-6,30580-75-7,tert-butyl isopropylphenyl peroxide,tert-butyl 2-isopropylphenyl peroxide,CC(C)c1ccccc1OOC(C)(C)C,CC(C)c1ccccc1OOC(C)(C)C,"InChI=1/C13H20O2/c1-10(2)11-8-6-7-9-12(11)14-15-13(3,4)5/h6-10H,1-5H3",C13H20O2,,,,,,WVGXBYVKFQJQGN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.633,245-812-8,23659-80-5,2-ethoxy-4'-methoxy-2-(p-methoxyphenyl)acetophenone,"2-ethoxy-1,2-bis(4-methoxyphenyl)ethanone",CCOC(C(=O)c1ccc(OC)cc1)c2ccc(OC)cc2,CCOC(C(=O)c1ccc(OC)cc1)c2ccc(OC)cc2,"InChI=1/C18H20O4/c1-4-22-18(14-7-11-16(21-3)12-8-14)17(19)13-5-9-15(20-2)10-6-13/h5-12,18H,4H2,1-3H3",C18H20O4,,,,,,XGDJUIWMIKCXJN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.642,245-822-2,23681-60-9,"4,4',4''-trianilinotrityl alcohol",tris(4-anilinophenyl)methanol,OC(c1ccc(Nc2ccccc2)cc1)(c3ccc(Nc4ccccc4)cc3)c5ccc(Nc6ccccc6)cc5,OC(c1ccc(Nc2ccccc2)cc1)(c3ccc(Nc4ccccc4)cc3)c5ccc(Nc6ccccc6)cc5,"InChI=1/C37H31N3O/c41-37(28-16-22-34(23-17-28)38-31-10-4-1-5-11-31,29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-41H",C37H31N3O,,,,,,QIVYWOAVUUJDEC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.646,245-826-4,23694-14-6,5-(aminosulphonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide monohydrochloride,N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide hydrochloride,Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,"InChI=1/C15H23N3O4S.ClH/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2;/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21);1H",C15H23N3O4S.ClH,,,,,,PFHZICSPLHQCDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.657,245-839-5,23714-12-7,Trisodium nitrilotrimethanesulphinate,trisodium nitrilotrimethanesulfinate,[Na+].[Na+].[Na+].[O-]S(=O)CN(CS(=O)[O-])CS(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)CN(CS(=O)[O-])CS(=O)[O-],"InChI=1/C3H9NO6S3.3Na/c5-11(6)1-4(2-12(7)8)3-13(9)10;;;/h1-3H2,(H,5,6)(H,7,8)(H,9,10);;;/q;3*+1/p-3",C3H9NO6S3.3Na,,,,,,OHFNPZKURJNQGA-UHFFFAOYSA-K,,,,,,,,,,,
100.041.659,245-841-6,23725-15-7,"Hexasodium naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexyl hexasulphate","hexasodium dinaphtho[2,3-a:2',3'-i]naphtho[2',3':6,7]indolo[2,3-c]carbazole-5,7,12,14,19,24-hexayl hexasulfate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OC1=Cc2c(OS(=O)(=O)[O-])c3ccccc3c(OS(=O)(=O)[O-])c2C4=NC5=C6C(=C7C=CC=CC7=C(OS(=O)(=O)[O-])C6=C8N=C9C(=C8C5=C14)C=Cc%10cc%11cc(OS(=O)(=O)[O-])ccc%11cc9%10)OS(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OC1=Cc2c(OS(=O)(=O)[O-])c3ccccc3c(OS(=O)(=O)[O-])c2C4=NC5=C6C(=C7C=CC=CC7=C(OS(=O)(=O)[O-])C6=C8N=C9C(=C8C5=C14)C=Cc%10cc%11cc(OS(=O)(=O)[O-])ccc%11cc9%10)OS(=O)(=O)[O-],"InChI=1/C42H22N2O24S6.6Na/c45-69(46,47)63-20-11-9-17-15-26-18(13-19(17)14-20)10-12-25-29-32-31-28(64-70(48,49)50)16-27-30(40(66-72(54,55)56)22-6-2-1-5-21(22)39(27)65-71(51,52)53)37(31)44-38(32)34-33(36(29)43-35(25)26)41(67-73(57,58)59)23-7-3-4-8-24(23)42(34)68-74(60,61)62;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6",C42H22N2O24S6.6Na,,,,,,XABCJASGDSNUFB-UHFFFAOYSA-H,,,,,,,,,,,
100.041.666,245-848-4,23731-38-6,Methyl (2H)formate,methyl formate,COC=O,COC=O,"InChI=1/C2H4O2/c1-4-2-3/h2H,1H3",C2H3DO2,,,,,,TZIHFWKZFHZASV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.122,239-751-6,15674-67-6,"N,N-diethyl-ß-alanine hydrochloride","N,N-diethyl-beta-alanine hydrochloride",Cl.CCN(CC)CCC(=O)O,Cl.CCN(CC)CCC(=O)O,"InChI=1/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H",C7H15NO2.ClH,,,,,,QQVHFNAGPZTCBE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.630,241-410-1,17373-29-4,"N,N-dimethyltridecylamine","N,N-dimethyltridecan-1-amine",CCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCN(C)C,"InChI=1/C15H33N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h4-15H2,1-3H3",C15H33N,,,,,,ADXNPXDFKKWVGE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.635,241-415-9,17378-35-7,Potassium pentadecanoate,potassium pentadecanoate,[K+].[K+].[K+].[K+].[K+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[K+].[K+].[K+].[K+].[K+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/5C10H20O2.5K/c5*1-2-3-4-5-6-7-8-9-10(11)12;;;;;/h5*2-9H2,1H3,(H,11,12);;;;;/q;;;;;5*+1/p-5",C15H30O2.K,,,,,,OLIBYIKUCQKQNX-UHFFFAOYSA-I,,,,,,,,,,,
100.037.636,241-416-4,17378-36-8,Potassium heptadecanoate,potassium heptadecanoate,[K+].[K+].[K+].[K+].[K+].[K+].[K+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/7C10H20O2.7K/c7*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;/h7*2-9H2,1H3,(H,11,12);;;;;;;/q;;;;;;;7*+1/p-7",C17H34O2.K,,,,,,CRIUUNKPCBPXOJ-UHFFFAOYSA-G,,,,,,,,,,,
100.037.641,241-422-7,17395-31-2,7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-oxopropyl]quinazolin-4(3H)-one monohydrobromide,7-bromo-6-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4(3H)-one hydrobromide,Br.OC1CCCNC1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O,Br.OC1CCCNC1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O,"InChI=1/C16H17BrClN3O3.BrH/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;/h5-6,8,14-15,19,23H,1-4,7H2;1H",C16H17BrClN3O3.BrH,,,,,,SJUWEPZBTXEUMU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.642,241-423-2,17397-37-4,"2-bromo-2,2-diphenylacetyl chloride",bromo(diphenyl)acetyl chloride,ClC(=O)C(Br)(c1ccccc1)c2ccccc2,ClC(=O)C(Br)(c1ccccc1)c2ccccc2,"InChI=1/C14H10BrClO/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C14H10Br2O,,,,,,CNCOICZZXRIVOT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.646,241-427-4,17404-66-9,p-(1-methyloctyl)phenol,4-(1-methyloctyl)phenol,CCCCCCCC(C)c1ccc(O)cc1,CCCCCCCC(C)c1ccc(O)cc1,"InChI=1/C15H24O/c1-3-4-5-6-7-8-13(2)14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3",C15H24O,,,,,,VFONHVBSRNKIAY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.657,241-440-5,17413-10-4,"2,3-dihydro-1,4-benzodioxin-6-methylamine","1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine",NCc1ccc2OCCOc2c1,NCc1ccc2OCCOc2c1,"InChI=1/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2",C9H11NO2,,,,,,FUDYRLUSXBRPIA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.659,241-442-6,17418-58-5,1-amino-4-hydroxy-2-phenoxyanthraquinone,"1-amino-4-hydroxy-2-phenoxy-9,10-anthraquinone",Nc1c(Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2",C20H13NO4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16393,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.659,MHXFWEJMQVIWDH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.661,241-444-7,17418-72-3,"4,5-diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid","1,8-diamino-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid",Nc1cc(c(O)c2C(=O)c3c(O)cc(c(N)c3C(=O)c12)S(=O)(=O)O)S(=O)(=O)O,Nc1cc(c(O)c2C(=O)c3c(O)cc(c(N)c3C(=O)c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C14H10N2O10S2/c15-3-1-6(28(24,25)26)12(18)10-7(3)13(19)9-8(14(10)20)4(17)2-5(11(9)16)27(21,22)23/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26)",C14H10N2O10S2,,,,,,QJADYGBGARWWAH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.662,241-445-2,17418-80-3,"4-amino-3,5-dichloro-N,N-dimethylbenzenesulphonamide","4-amino-3,5-dichloro-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1,CN(C)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C8H10Cl2N2O2S/c1-12(2)15(13,14)5-3-6(9)8(11)7(10)4-5/h3-4H,11H2,1-2H3",C8H10Cl2N2O2S,,,,,,YTXJRMFOPUQURY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.878,237-282-1,13718-94-0,6-O-a-D-glucopyranosyl-D-fructose,6-O-alpha-D-glucopyranosyl-D-fructose,OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2",C12H22O11,,,,,,RJPPRBMGVWEZRR-WTZPKTTFSA-N,,,,,,,,,,,
100.033.880,237-284-2,13720-13-3,"a,2,2-trimethyl-6-methylenecyclohexanepropanol","4-(2,2-dimethyl-6-methylenecyclohexyl)butan-2-ol",CC(O)CCC1C(=C)CCCC1(C)C,CC(O)CCC1C(=C)CCCC1(C)C,"InChI=1/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3",C13H24O,,,,,,XYSOCYCFJHMQON-UHFFFAOYSA-N,,,,,,,,,,,
100.033.883,237-287-9,13721-39-6,Trisodium tetraoxovanadate,trisodium tetraoxovanadate(3-),[Na+].[Na+].[Na+].O=[V-3](=O)(=O)=O,[Na+].[Na+].[Na+].O=[V-3](=O)(=O)=O,"InChI=1/3Na.4O.V/q3*+1;;;;;-3/r3Na.O4V/c;;;1-5(2,3)4/q3*+1;-3",Na.1/3O4V,,,,,,AQPCRJBQIZBIFK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.771,239-365-8,15336-81-9,"5,5-dimethyl-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione","5,5-dimethyl-1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione",CC1(C)N(CC2CO2)C(=O)N(CC3CO3)C1=O,CC1(C)N(CC2CO2)C(=O)N(CC3CO3)C1=O,"InChI=1/C11H16N2O4/c1-11(2)9(14)12(3-7-5-16-7)10(15)13(11)4-8-6-17-8/h7-8H,3-6H2,1-2H3",C11H16N2O4,,,,,,RZJKZTPKSRPUFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.777,239-372-6,15337-64-1,4-hydroxybutyl stearate,4-hydroxybutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCO,CCCCCCCCCCCCCCCCCC(=O)OCCCCO,"InChI=1/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h23H,2-21H2,1H3",C22H44O3,,,,,,IKDHIMYPOLRLJB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.786,239-382-0,15350-99-9,Amoxydramine camsilate,"(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid - [2-(diphenylmethoxy)ethyl]dimethylamine oxide (1:1)",CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.C[N+](C)([O-])CCOC(c3ccccc3)c4ccccc4,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.C[N+](C)([O-])CCOC(c3ccccc3)c4ccccc4,"InChI=1/C17H21NO2.C10H16O4S/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h3-12,17H,13-14H2,1-2H3;7H,3-6H2,1-2H3,(H,12,13,14)",C17H21NO2.C10H16O4S,,,,,,RYJTVDSLFJIKMP-STOWLHSFSA-N,,,,,,,,,,,
100.035.790,239-386-2,15352-74-6,"Oxyacanthan-12'-ol, 6,6',7-trimethoxy-2,2'-dimethyl-, hydrochloride","6,6',7-trimethoxy-2,2'-dimethyloxyacanthan-12'-ol hydrochloride",Cl.COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4,Cl.COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4,"InChI=1/C37H40N2O6.ClH/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33;/h6-11,18-21,28-29,40H,12-17H2,1-5H3;1H",C37H40N2O6.xClH,,,,,,HXXKIWDUUFTDIG-XZVFQGBBSA-N,,,,,,,,,,,
100.035.792,239-388-3,15356-70-4,D-menthol,2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1O,CC(C)C1CCC(C)CC1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,,,,,,NOOLISFMXDJSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.793,239-389-9,15356-72-6,"Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate","methyl 3-(2,6,6-trimethylcyclohex-1-en-1-yl)acrylate",COC(=O)\\C=C\\C1=C(C)CCCC1(C)C,COC(=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C13H20O2/c1-10-6-5-9-13(2,3)11(10)7-8-12(14)15-4/h7-8H,5-6,9H2,1-4H3",C13H20O2,,,,,,RJLVIISLNKAFCY-BQYQJAHWSA-N,,,,,,,,,,,
100.037.228,240-967-8,16919-14-5,Potassium hexafluoroniobate(1-),potassium hexafluoroniobate(1-),[K+].F[Nb-](F)(F)(F)(F)F,[K+].F[Nb-](F)(F)(F)(F)F,"InChI=1/6FH.K.Nb/h6*1H;;/q;;;;;;+1;+5/p-6/rF6Nb.K/c1-7(2,3,4,5)6;/q-1;+1",F6Nb.K,,,,,,DQFPJJZQEOYRHO-UHFFFAOYSA-H,,,,,,,,,,,
100.037.230,240-969-9,16919-27-0,Dipotassium hexafluorotitanate,dipotassium hexafluorotitanate(2-),[K+].[K+].F[Ti-2](F)(F)(F)(F)F,[K+].[K+].F[Ti-2](F)(F)(F)(F)F,"InChI=1/6FH.2K.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rF6Ti.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Ti.2K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14922,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.230,RXCBCUJUGULOGC-UHFFFAOYSA-H,,,,,,,,,,,
100.037.233,240-973-0,16919-58-7,Diammonium hexachloroplatinate,diammonium hexachloroplatinate(2-),[NH4+].[NH4+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2H3N.Pt/h6*1H;2*1H3;/q;;;;;;;;+4/p-4/rCl6Pt.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",Cl6Pt.2H4N,,,,,,PCCGQTHFYHJATL-UHFFFAOYSA-J,,,,,,,,,,,
100.037.239,240-979-3,16921-30-5,Dipotassium hexachloroplatinate,dipotassium hexachloroplatinate(2-),[K+].[K+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rCl6Pt.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",Cl6Pt.2K,,,,,,DPAIVKJGTXERIM-UHFFFAOYSA-H,,,,,,,,,,,
100.037.249,240-990-3,16925-26-1,Disodium hexafluorozirconate(2-),disodium hexafluorozirconate(2-),[Na+].[Na+].F[Zr-2](F)(F)(F)(F)F,[Na+].[Na+].F[Zr-2](F)(F)(F)(F)F,"InChI=1/6FH.2Na.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rF6Zr.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Zr.2Na,,,,,,KSYURTCLCUKLSF-UHFFFAOYSA-H,,,,,,,,,,,
100.032.758,236-050-7,13122-18-4,"tert-butyl 3,5,5-trimethylperoxyhexanoate","tert-butyl 3,5,5-tris(methylperoxy)hexanoate",COOC(CC(=O)OC(C)(C)C)CC(C)(OOC)OOC,COOC(CC(=O)OC(C)(C)C)CC(C)(OOC)OOC,"InChI=1/C13H26O8/c1-12(2,3)18-11(14)8-10(19-15-5)9-13(4,20-16-6)21-17-7/h10H,8-9H2,1-7H3",C13H26O3,Full,Joint,100+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14600,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.758,LJUOLPRHZQMEIB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.759,236-051-2,13122-91-3,3-phenyl-N-[3-phenyl-N-[(phenylmethoxy)carbonyl]-L-alanyl]-L-alanine,N-[(benzyloxy)carbonyl]-L-phenylalanylphenylalanine,OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3,OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3,"InChI=1/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)",C26H26N2O5,,,,,,JNRHNGGTJOBXHL-GOTSBHOMSA-N,,,,,,,,,,,
100.032.768,236-061-7,13126-70-0,Silver formate,silver(1+) formate,[Ag+].[O-]C=O,[Ag+].[O-]C=O,"InChI=1/CH2O2.Ag/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",CH2O2.Ag,,,,,,FTNNQMMAOFBTNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.128,239-757-9,15679-12-6,2-ethyl-4-methylthiazole,"2-ethyl-4-methyl-1,3-thiazole",CCc1nc(C)cs1,CCc1nc(C)cs1,"InChI=1/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3",C6H9NS,,,,,,VGRVKVGGUPOCMT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.059,236-380-1,13330-96-6,4-(dimethylamino)butan-1-ol,4-(dimethylamino)butan-1-ol,CN(C)CCCCO,CN(C)CCCCO,"InChI=1/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3",C6H15NO,,,,,,QCTOLMMTYSGTDA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.064,236-385-9,13334-49-1,"2,4-xylyloxyacetic acid","(2,4-dimethylphenoxy)acetic acid",Cc1ccc(OCC(=O)O)c(C)c1,Cc1ccc(OCC(=O)O)c(C)c1,"InChI=1/C10H12O3/c1-7-3-4-9(8(2)5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",C10H12O3,,,,,,XRTZHWXWLUGOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.066,236-388-5,13338-63-1,"3,4,5-trimethoxyphenylacetonitrile","(3,4,5-trimethoxyphenyl)acetonitrile",COc1cc(CC#N)cc(OC)c1OC,COc1cc(CC#N)cc(OC)c1OC,"InChI=1/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3",C11H13NO3,,,,,,ACFJNTXCEQCDBX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.073,236-395-3,13347-42-7,4-chloro-2-cyclopentylphenol,4-chloro-2-cyclopentylphenol,Oc1ccc(Cl)cc1C2CCCC2,Oc1ccc(Cl)cc1C2CCCC2,"InChI=1/C11H13ClO/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,13H,1-4H2",C11H13ClO,,,,,,LZUKCYHMVDGDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.079,236-403-5,13352-70-0,2-[[1-(4-chlorophenyl)cyclohexyl]oxy]ethyl(diethyl)ammonium chloride,"2-{[1-(4-chlorophenyl)cyclohexyl]oxy}-N,N-diethylethanaminium chloride",[Cl-].CC[NH+](CC)CCOC1(CCCCC1)c2ccc(Cl)cc2,[Cl-].CC[NH+](CC)CCOC1(CCCCC1)c2ccc(Cl)cc2,"InChI=1/C18H28ClNO.ClH/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15H2,1-2H3;1H",C18H28ClNO.ClH,,,,,,GHTNEJJXVUMOPX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.688,239-273-8,15222-64-7,Norborn-5-en-2-ylacrylic acid,2-bicyclo[2.2.1]hept-5-en-2-ylacrylic acid,OC(=O)C(=C)C1CC2CC1C=C2,OC(=O)C(=C)C1CC2CC1C=C2,"InChI=1/C10H12O2/c1-6(10(11)12)9-5-7-2-3-8(9)4-7/h2-3,7-9H,1,4-5H2,(H,11,12)",C10H12O2,,,,,,CLLPFPUXZSRSMI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.693,239-279-0,15231-91-1,6-bromo-2-naphthol,6-bromo-2-naphthol,Oc1ccc2cc(Br)ccc2c1,Oc1ccc2cc(Br)ccc2c1,"InChI=1/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H",C10H7BrO,,,,,,YLDFTMJPQJXGSS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.695,239-281-1,15233-47-3,N-1-methylheptyl-N'-phenyl-p-phenylenediamine,"N-(1-methylheptyl)-N'-phenylbenzene-1,4-diamine",CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1,CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3",C20H28N2,,,,,,JQTYAZKTBXWQOM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.696,239-282-7,15233-65-5,"2,6-dimethoxyhydroquinone","2,6-dimethoxybenzene-1,4-diol",COc1cc(O)cc(OC)c1O,COc1cc(O)cc(OC)c1O,"InChI=1/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3",C8H10O4,,,,,,GXAVBFNRWXCOPY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.707,239-294-2,15254-27-0,2-(3-chloro-4-toluoyl)benzoic acid,2-(3-chloro-4-methylbenzoyl)benzoic acid,Cc1ccc(cc1Cl)C(=O)c2ccccc2C(=O)O,Cc1ccc(cc1Cl)C(=O)c2ccccc2C(=O)O,"InChI=1/C15H11ClO3/c1-9-6-7-10(8-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)",C15H11ClO3,,,,,,UIABSHHBLMGEQI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.711,239-298-4,15258-55-6,"2,3,4-trimethoxybenzaldehyde oxime","2,3,4-trimethoxybenzaldehyde oxime",COc1ccc(\\C=N\\O)c(OC)c1OC,COc1ccc(\C=N\O)c(OC)c1OC,"InChI=1/C10H13NO4/c1-13-8-5-4-7(6-11-12)9(14-2)10(8)15-3/h4-6,12H,1-3H3",C10H13NO4,,,,,,ZWGRTKBQWHZYFL-IZZDOVSWSA-N,,,,,,,,,,,
100.035.717,239-306-6,15262-77-8,Delmadinone,"6-chloro-17-hydroxypregna-1,4,6-triene-3,20-dione",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H25ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h4,7,10-11,14-16,25H,5-6,8-9H2,1-3H3",C21H25ClO3,,,,,,ZSAMZEYLGUEVJW-TTYLFXKOSA-N,,,,,,,,,,,
100.035.719,239-308-7,15263-20-4,"tert-butyl N-(1,3-dihydro-1,3-dioxoisoindolyl) carbonate","2-[(tert-butoxycarbonyl)oxy]-1H-isoindole-1,3(2H)-dione",CC(C)(C)OC(=O)ON1C(=O)c2ccccc2C1=O,CC(C)(C)OC(=O)ON1C(=O)c2ccccc2C1=O,"InChI=1/C13H13NO5/c1-13(2,3)18-12(17)19-14-10(15)8-6-4-5-7-9(8)11(14)16/h4-7H,1-3H3",C13H13NO5,,,,,,MCWXBNWFVFOQAS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.722,239-311-3,15267-95-5,(chloromethyl)triethoxysilane,(chloromethyl)(triethoxy)silane,CCO[Si](CCl)(OCC)OCC,CCO[Si](CCl)(OCC)OCC,"InChI=1/C7H17ClO3Si/c1-4-9-12(7-8,10-5-2)11-6-3/h4-7H2,1-3H3",C7H17ClO3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10722,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.722,ZDOBWJOCPDIBRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.731,239-321-8,15280-31-6,4-(benzyl(ethyl)amino)benzenediazonium zinc chloride,-,[Cl-].[Zn+2].CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N,[Cl-].[Zn+2].CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N,"InChI=1/C15H16N3.ClH.Zn/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;;/h3-11H,2,12H2,1H3;1H;/q+1;;+2/p-1",C15H16N3.1/2Cl4Zn,,,,,,SJLCOFLNCVKVOC-UHFFFAOYSA-M,,,,,,,,,,,
100.032.662,235-944-4,13057-42-6,Titanium(4+) acetate,titanium(4+) tetraacetate,[Ti+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Ti+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/4C2H4O2.Ti/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4",C2H4O2.1/4Ti,,,,,,GPMKKHIGAJLBMZ-UHFFFAOYSA-J,,,,,,,,,,,
100.041.675,245-858-9,23743-30-8,"Dimethyl 2,2'-(naphthalene-1,4-diyl)bis(benzoxazole-5-carboxylate)","dimethyl 2,2'-naphthalene-1,4-diylbis(1,3-benzoxazole-5-carboxylate)",COC(=O)c1ccc2oc(nc2c1)c3ccc(c4oc5ccc(cc5n4)C(=O)OC)c6ccccc36,COC(=O)c1ccc2oc(nc2c1)c3ccc(c4oc5ccc(cc5n4)C(=O)OC)c6ccccc36,"InChI=1/C28H18N2O6/c1-33-27(31)15-7-11-23-21(13-15)29-25(35-23)19-9-10-20(18-6-4-3-5-17(18)19)26-30-22-14-16(28(32)34-2)8-12-24(22)36-26/h3-14H,1-2H3",C28H18N2O6,,,,,,GHSQUTFRTKIVBU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.303,245-450-0,23142-53-2,"6-(dimethylamino)-4,4-diphenylheptan-3-one hydrobromide","6-(dimethylamino)-4,4-diphenylheptan-3-one hydrobromide",Br.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,Br.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,"InChI=1/C21H27NO.BrH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H",C21H27NO.BrH,,,,,,FSICAXDYXLRLRG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.306,245-453-7,23146-04-5,"3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione","7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCCO)c2C1=O,CN1C(=O)N(C)c2ncn(CCCO)c2C1=O,"InChI=1/C10H14N4O3/c1-12-8-7(9(16)13(2)10(12)17)14(6-11-8)4-3-5-15/h6,15H,3-5H2,1-2H3",C10H14N4O3,,,,,,QCGRMMZPZDAITA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.307,245-454-2,23146-05-6,"7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","7-(2-bromoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCBr)c2C1=O,CN1C(=O)N(C)c2ncn(CCBr)c2C1=O,"InChI=1/C9H11BrN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3",C9H11BrN4O2,,,,,,ZZWGXGHWFOTKNP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.308,245-455-8,23146-06-7,"7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","7-(3-bromopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCCBr)c2C1=O,CN1C(=O)N(C)c2ncn(CCCBr)c2C1=O,"InChI=1/C10H13BrN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3",C10H13BrN4O2,,,,,,IXYPCFPAFIVIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.309,245-456-3,23147-44-6,"N,N'-(iminodiethylene)bis[4-hydroxybutyramide]","N,N'-(iminodiethane-2,1-diyl)bis(4-hydroxybutanamide)",OCCCC(=O)NCCNCCNC(=O)CCCO,OCCCC(=O)NCCNCCNC(=O)CCCO,"InChI=1/C12H25N3O4/c16-9-1-3-11(18)14-7-5-13-6-8-15-12(19)4-2-10-17/h13,16-17H,1-10H2,(H,14,18)(H,15,19)",C12H25N3O4,,,,,,VXSQUWDOJDCHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.312,245-460-5,23150-35-8,"[R(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol","2-amino-1-[4-(methylsulfanyl)phenyl]propane-1,3-diol",CSc1ccc(cc1)C(O)C(N)CO,CSc1ccc(cc1)C(O)C(N)CO,"InChI=1/C10H15NO2S/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3",C10H15NO2S,,,,,,IULJJGJXIGQINK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.313,245-461-0,23150-65-4,Dimethyl L-2-aminoglutarate hydrochloride,dimethyl glutamate hydrochloride,Cl.COC(=O)CCC(N)C(=O)OC,Cl.COC(=O)CCC(N)C(=O)OC,"InChI=1/C7H13NO4.ClH/c1-11-6(9)4-3-5(8)7(10)12-2;/h5H,3-4,8H2,1-2H3;1H",C7H13NO4.ClH,,,,,,MFUPLHQOVIUESQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.317,245-465-2,23159-07-1,Pyrrolidine-1-propylamine,3-pyrrolidin-1-ylpropan-1-amine,NCCCN1CCCC1,NCCCN1CCCC1,InChI=1/C7H16N2/c8-4-3-7-9-5-1-2-6-9/h1-8H2,C7H16N2,,,,,,VPBWZBGZWHDNKL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.319,245-467-3,23162-15-4,Tri(tetradecyl) borate,tritetradecyl borate,CCCCCCCCCCCCCCOB(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOB(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC,"InChI=1/C42H87BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-44-43(45-41-38-35-32-29-26-23-20-17-14-11-8-5-2)46-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3",C42H87BO3,,,,,,WTBVYJWHTHPPKB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.327,245-476-2,23180-57-6,"ß-d-Glucopyranoside, 5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl, [1aR-(1aa,2ß,3aa,5a,5aa,5ba)]-","[1a-(hexopyranosyloxy)-5-hydroxy-2-methylhexahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-1-yl]methyl benzoate",CC12CC3(O)OC(O1)C4C3C(COC(=O)c5ccccc5)C24OC6OC(CO)C(O)C(O)C6O,CC12CC3(O)OC(O1)C4C3C(COC(=O)c5ccccc5)C24OC6OC(CO)C(O)C(O)C6O,"InChI=1/C23H28O11/c1-21-9-22(29)13-11(8-30-18(28)10-5-3-2-4-6-10)23(21,14(13)19(32-21)33-22)34-20-17(27)16(26)15(25)12(7-24)31-20/h2-6,11-17,19-20,24-27,29H,7-9H2,1H3",C23H28O11,,,,,,DNODDECDJSYUMN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.328,245-477-8,23184-66-9,"N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide","N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide",CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,"InChI=1/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3",C17H26ClNO2,,,,,,HKPHPIREJKHECO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.330,245-479-9,23187-14-6,4-methyl-1H-imidazolium chloride,4-methyl-1H-imidazol-1-ium chloride,[Cl-].CC1=C[NH+]C=N1,[Cl-].CC1=C[NH+]C=N1,"InChI=1/C4H6N2.ClH/c1-4-2-5-3-6-4;/h2-3H,1H3,(H,5,6);1H",C4H6N2.ClH,,,,,,RYKANBBWRLXVDN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.331,245-480-4,23192-42-9,(Z)-hexadec-7-enyl acetate,hexadec-7-en-1-yl acetate,CCCCCCCC\\C=C/CCCCCCOC(=O)C,CCCCCCCC\C=C/CCCCCCOC(=O)C,"InChI=1/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h10-11H,3-9,12-17H2,1-2H3",C18H34O2,,,,,,QVXFGVVYTKZLJN-KHPPLWFESA-N,,,,,,,,,,,
100.033.889,237-294-7,13726-67-5,N-(tert-butoxycarbonyl)-L-aspartic acid,N-(tert-butoxycarbonyl)-L-aspartic acid,CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)",C9H15NO6,,,,,,KAJBMCZQVSQJDE-YFKPBYRVSA-N,,,,,,,,,,,
100.033.892,237-297-3,13730-09-1,"2,5-dimethylbenzonitrile","2,5-dimethylbenzonitrile",Cc1ccc(C)c(c1)C#N,Cc1ccc(C)c(c1)C#N,"InChI=1/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H3",C9H9N,,,,,,OZOQTENKIVKILK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.897,237-302-9,13733-33-0,"N,N'-1,3-phenylenebis[3-oxobutyramide]","N,N'-1,3-phenylenebis(3-oxobutanamide)",CC(=O)CC(=O)Nc1cccc(NC(=O)CC(=O)C)c1,CC(=O)CC(=O)Nc1cccc(NC(=O)CC(=O)C)c1,"InChI=1/C14H16N2O4/c1-9(17)6-13(19)15-11-4-3-5-12(8-11)16-14(20)7-10(2)18/h3-5,8H,6-7H2,1-2H3,(H,15,19)(H,16,20)",C14H16N2O4,,,,,,MSAABPAPRGCKNY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.898,237-303-4,13734-28-6,"N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine",N~2~-(tert-butoxycarbonyl)-L-lysine,CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)O,"InChI=1/C11H22N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)",C11H22N2O4,,,,,,DQUHYEDEGRNAFO-QMMMGPOBSA-N,,,,,,,,,,,
100.033.902,237-308-1,13735-81-4,Trimethyl[(1-phenylvinyl)oxy]silane,trimethyl[(1-phenylvinyl)oxy]silane,C[Si](C)(C)OC(=C)c1ccccc1,C[Si](C)(C)OC(=C)c1ccccc1,"InChI=1/C11H16OSi/c1-10(12-13(2,3)4)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3",C11H16OSi,,,,,,AFFPCIMDERUIST-UHFFFAOYSA-N,,,,,,,,,,,
100.033.906,237-312-3,13741-18-9,Xibornol,"4,5-dimethyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",Cc1cc(O)c(cc1C)C2CC3CCC2(C)C3(C)C,Cc1cc(O)c(cc1C)C2CC3CCC2(C)C3(C)C,"InChI=1/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3",C18H26O,,,,,,RNRHMQWZFJXKLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.908,237-314-4,13744-68-8,N-(indazol-6-yl)-4-aminobenzenesulphonamide,4-amino-N-2H-indazol-6-ylbenzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)Nc2ccc3c[nH]nc3c2,Nc1ccc(cc1)S(=O)(=O)Nc2ccc3c[nH]nc3c2,"InChI=1/C13H12N4O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,14H2,(H,15,16)",C13H12N4O2S,,,,,,RLNLIVBLEZDLMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.909,237-316-5,13745-20-5,"2',4,4'-trihydroxychalcone","1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one",Oc1ccc(\\C=C\\C(=O)c2ccc(O)cc2O)cc1,Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1,"InChI=1/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H",C15H12O4,,,,,,DXDRHHKMWQZJHT-FPYGCLRLSA-N,,,,,,,,,,,
100.033.910,237-317-0,13746-54-8,"2-methoxy-4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol","2-methoxy-4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1cc(ccc1O)C2CC3CC2C(C)C3(C)C,COc1cc(ccc1O)C2CC3CC2C(C)C3(C)C,"InChI=1/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-15(18)16(7-11)19-4/h5-7,10,12-14,18H,8-9H2,1-4H3",C17H24O2,,,,,,NUEKYQUPPRJHFP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.537,241-308-7,17275-82-0,"Ethyl 3,5-dimethoxybenzoate","ethyl 3,5-dimethoxybenzoate",CCOC(=O)c1cc(OC)cc(OC)c1,CCOC(=O)c1cc(OC)cc(OC)c1,"InChI=1/C11H14O4/c1-4-15-11(12)8-5-9(13-2)7-10(6-8)14-3/h5-7H,4H2,1-3H3",C11H14O4,,,,,,OKZIFGAAWSUMHS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.538,241-309-2,17278-80-7,16-hydroxyhexadec-9-enoic acid,16-hydroxyhexadec-9-enoic acid,OC(=O)CCCCCCCC=CCCCCCCO,OC(=O)CCCCCCCC=CCCCCCCO,"InChI=1/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3,17H,2,4-15H2,(H,18,19)",C16H30O3,,,,,,RPQJFAIEPUKQHK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.540,241-311-3,17279-39-9,Dimetamfetamine,"N,N-dimethyl-1-phenylpropan-2-amine",C[C@@H](Cc1ccccc1)N(C)C,C[C@@H](Cc1ccccc1)N(C)C,"InChI=1/C11H17N/c1-10(12(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3",C11H17N,,,,,,OBDSVYOSYSKVMX-JTQLQIEISA-N,,,,,,,,,,,
100.037.543,241-315-5,17281-95-7,"1,1'-(oxydiethylene)dipyridinium dichloride","1,1'-(oxydiethane-2,1-diyl)dipyridinium dichloride",[Cl-].[Cl-].C(C[n+]1ccccc1)OCC[n+]2ccccc2,[Cl-].[Cl-].C(C[n+]1ccccc1)OCC[n+]2ccccc2,"InChI=1/C14H18N2O.2ClH/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;;/h1-10H,11-14H2;2*1H/q+2;;/p-2",C14H18N2O.2Cl,,,,,,CIRMUZNBIDDPAH-UHFFFAOYSA-L,,,,,,,,,,,
100.037.546,241-318-1,17283-81-7,"4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one","4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one",CC(=O)CCC1=C(C)CCCC1(C)C,CC(=O)CCC1=C(C)CCCC1(C)C,"InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3",C13H22O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19009,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.546,QJJDNZGPQDGNDX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.553,241-326-5,17297-82-4,"4-[3-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazine-1-ethanol dihydrochloride","2-{4-[3-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl}ethanol dihydrochloride",Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc4cccnc24)CC1,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc4cccnc24)CC1,"InChI=1/C20H26N4OS.2ClH/c25-16-15-23-13-11-22(12-14-23)9-4-10-24-17-5-1-2-6-18(17)26-19-7-3-8-21-20(19)24;;/h1-3,5-8,25H,4,9-16H2;2*1H",C20H26N4OS.2ClH,,,,,,KALFCGDVOYGROY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.130,239-760-5,15679-19-3,2-ethoxythiazole,"2-ethoxy-1,3-thiazole",CCOc1nccs1,CCOc1nccs1,"InChI=1/C5H7NOS/c1-2-7-5-6-3-4-8-5/h3-4H,2H2,1H3",C5H7NOS,,,,,,NDUWJHRKDYXRAD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.131,239-761-0,15679-23-9,"2,5-dihydro-2,2,4-trimethylthiazole","2,2,4-trimethyl-2,5-dihydro-1,3-thiazole",CC1=NC(C)(C)SC1,CC1=NC(C)(C)SC1,"InChI=1/C6H11NS/c1-5-4-8-6(2,3)7-5/h4H2,1-3H3",C6H11NS,,,,,,MWCRBRYMIOQZAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.139,239-769-4,15685-17-3,"Bis(diethyldithiocarbamato-S,S')manganese",manganese(2+) bis(diethyldithiocarbamate),CCN(CC)C(=S)S[Mn]SC(=S)N(CC)CC,CCN(CC)C(=S)S[Mn]SC(=S)N(CC)CC,"InChI=1/2C5H11NS2.Mn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2/rC10H20MnN2S4/c1-5-12(6-2)9(14)16-11-17-10(15)13(7-3)8-4/h5-8H2,1-4H3",C10H20MnN2S4,,,,,,SCDJWNPJRZRMGZ-UHFFFAOYSA-L,,,,,,,,,,,
100.036.144,239-775-7,15686-91-6,Propiram,N-(1-methyl-2-piperidin-1-ylethyl)-N-pyridin-2-ylpropanamide,CCC(=O)N(C(C)CN1CCCCC1)c2ccccn2,CCC(=O)N(C(C)CN1CCCCC1)c2ccccn2,"InChI=1/C16H25N3O/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3",C16H25N3O,,,,,,ZBAFFZBKCMWUHM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.146,239-777-8,15687-08-8,Dextrofemine,N-(1-methyl-2-phenylethyl)-1-phenoxypropan-2-amine,CC(COc1ccccc1)NC(C)Cc2ccccc2,CC(COc1ccccc1)NC(C)Cc2ccccc2,"InChI=1/C18H23NO/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3",C18H23NO,,,,,,URCIJDUOBBSMII-UHFFFAOYSA-N,,,,,,,,,,,
100.036.165,239-798-2,15706-73-7,Butyl 2-methylbutyrate,butyl 2-methylbutanoate,CCCCOC(=O)C(C)CC,CCCCOC(=O)C(C)CC,"InChI=1/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3",C9H18O2,,,,,,OTKQNSSMCDLVQV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.169,239-802-2,15708-41-5,Sodium feredetate,"iron(3+) sodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[Na+].[Fe+3].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Na+].[Fe+3].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+3;+1/p-4",C10H12FeN2O8.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14148,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.169,MKWYFZFMAMBPQK-UHFFFAOYSA-J,,,,,,,,,,,
100.036.171,239-804-3,15715-19-2,"4,11-dichloro-5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione","4,11-dichloro-5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione",Clc1cccc2C(=O)C3=C(CC4=C(C3)Nc5c(Cl)cccc5C4=O)Nc12,Clc1cccc2C(=O)C3=C(CC4=C(C3)Nc5c(Cl)cccc5C4=O)Nc12,"InChI=1/C20H12Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-6H,7-8H2,(H,23,25)(H,24,26)",C20H12Cl2N2O2,,,,,,DDVFOLVGRBHZJB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.394,235-648-5,12409-39-1,"Bismuth, compound with thorium (2:1)",-,[Bi].[Bi].[Th],[Bi].[Bi].[Th],InChI=1/2Bi.Th/q2*+3;+2,Bi.Th,,,,,,MNATUKBYPIPPCS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.399,235-653-2,12421-82-8,"Bismuth, compound with yttrium (1:1)",-,[Y].[Bi],[Y].[Bi],InChI=1/Bi.Y/q2*+3,Bi.Y,,,,,,FKJLQFQNWHLUSS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.415,235-671-0,12441-09-7,Sorbitan,"1,6-anhydrohexitol",OC1COCC(O)C(O)C1O,OC1COCC(O)C(O)C1O,"InChI=1/C6H12O5/c7-3-1-11-2-4(8)6(10)5(3)9/h3-10H,1-2H2",C6H12O5,,,,,,LCIHASAGSYKLPC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.430,235-687-8,12516-52-8,"Cobalt, compound with praseodymium (7:2)",cobalt - praseodymium (7:2),[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Pr].[Pr],[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Pr].[Pr],InChI=1/7Co.2Pr/q7*+2;2*+3,Co.Pr,,,,,,WTZSLOBFGUJSOI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.432,235-689-9,12525-03-0,Calcium bis[dithioxolanthanate(1-)],calcium bis[dithioxolanthanate(1-)],[Ca+2].S=[La-]=S.S=[La-]=S,[Ca+2].S=[La-]=S.S=[La-]=S,InChI=1/Ca.2La.4S/q+2;2*-1;;;;/rCa.2LaS2/c;2*2-1-3/q+2;2*-1,Ca.2LaS2,,,,,,NKBFUEVSVGPRNB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.805,239-402-8,15364-56-4,1-(dimethylamino)acetone,1-(dimethylamino)acetone,CN(C)CC(=O)C,CN(C)CC(=O)C,"InChI=1/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3",C5H11NO,,,,,,VFPKIWATTACVJR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.822,239-421-1,15404-00-9,Triethylammonium p-toluenesulphonate,"N,N-diethylethanaminium 4-methylbenzenesulfonate",CC[NH+](CC)CC.Cc1ccc(cc1)S(=O)(=O)[O-],CC[NH+](CC)CC.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.C6H15N/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h2-5H,1H3,(H,8,9,10);4-6H2,1-3H3",C7H8O3S.C6H15N,,,,,,MMVUZMIOJNPDME-UHFFFAOYSA-N,,,,,,,,,,,
100.035.824,239-423-2,15411-19-5,Dichloromethyl[2-(trichlorosilyl)ethyl]silane,trichloro{2-[(dichloromethyl)silyl]ethyl}silane,ClC(Cl)[SiH2]CC[Si](Cl)(Cl)Cl,ClC(Cl)[SiH2]CC[Si](Cl)(Cl)Cl,"InChI=1/C3H7Cl5Si2/c4-3(5)9-1-2-10(6,7)8/h3H,1-2,9H2",C3H7Cl5Si2,,,,,,XEQNIVPGXFSPLT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.828,239-427-4,15417-46-6,Bis(acetato-O)hydroxychromium,chromium(3+) hydroxide diacetate,CC(=O)O[Cr](O)OC(=O)C,CC(=O)O[Cr](O)OC(=O)C,"InChI=1/2C2H4O2.Cr.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3/rC4H7CrO5/c1-3(6)9-5(8)10-4(2)7/h8H,1-2H3",C4H7CrO5,,,,,,VQURXAGHTBOKHL-UHFFFAOYSA-K,,,,,,,,,,,
100.032.663,235-946-5,13057-50-6,Pentaerythritol tetralaurate,"3-(dodecanoyloxy)-2,2-bis[(dodecanoyloxy)methyl]propyl laurate (non-preferred name)",CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,"InChI=1/C53H100O8/c1-5-9-13-17-21-25-29-33-37-41-49(54)58-45-53(46-59-50(55)42-38-34-30-26-22-18-14-10-6-2,47-60-51(56)43-39-35-31-27-23-19-15-11-7-3)48-61-52(57)44-40-36-32-28-24-20-16-12-8-4/h5-48H2,1-4H3",C53H100O8,,,,,,YUGHSWSVZKPPEG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.665,235-948-6,13058-12-3,"Ethyl 3,7-dimethylocta-2,6-dienoate","ethyl 3,7-dimethylocta-2,6-dienoate",CCOC(=O)C=C(C)CC\\C=C(/C)C,CCOC(=O)C=C(C)CC\C=C(/C)C,"InChI=1/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3",C12H20O2,,,,,,ZPKNTCZTABQJPS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.671,235-954-9,13061-28-4,"1-(2,4,5-trichlorophenyl)ethan-1-one","1-(2,4,5-trichlorophenyl)ethanone",CC(=O)c1cc(Cl)c(Cl)cc1Cl,CC(=O)c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3",C8H5Cl3O,,,,,,OPPQOJRXXODMKR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.673,235-957-5,13063-60-0,4-octylmorpholine,4-octylmorpholine,CCCCCCCCN1CCOCC1,CCCCCCCCN1CCOCC1,"InChI=1/C12H25NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h2-12H2,1H3",C12H25NO,,,,,,NMLNNXGEQCSYGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.677,235-961-7,13071-11-9,(R)-[2-hydroxy-3-(naphthyloxy)propyl]isopropylammonium chloride,2-hydroxy-N-isopropyl-3-(1-naphthyloxy)propan-1-aminium chloride,[Cl-].CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12,[Cl-].CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12,"InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H",C16H21NO2.ClH,,,,,,ZMRUPTIKESYGQW-PFEQFJNWSA-N,,,,,,,,,,,
100.032.678,235-962-2,13071-60-8,"(±)-2,3-bis(hexadecyloxy)propan-1-ol","2,3-bis(hexadecyloxy)propan-1-ol",CCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCC,"InChI=1/C35H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3",C35H72O3,,,,,,YQDJMFFVPVZWNK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.688,235-973-2,13075-38-2,N-[1-[N-[N-[1-[N-[(phenylmethoxy)carbonyl]glycyl]-L-prolyl]glycyl]glycyl]-L-prolyl]-L-alanine,N-[(benzyloxy)carbonyl]glycyl-L-prolylglycylglycyl-L-prolyl-L-alanine,O=C(N[C@@H](C)C(O)=O)[C@@H]3CCCN3C(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCc1ccccc1,O=C(N[C@@H](C)C(O)=O)[C@@H]3CCCN3C(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCc1ccccc1,"InChI=1/C27H36N6O9/c1-17(26(39)40)31-25(38)20-10-6-12-33(20)22(35)14-28-21(34)13-29-24(37)19-9-5-11-32(19)23(36)15-30-27(41)42-16-18-7-3-2-4-8-18/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3,(H,28,34)(H,29,37)(H,30,41)(H,31,38)(H,39,40)",C27H36N6O9,,,,,,YMMPZCZOLKBHAP-IHPCNDPISA-N,,,,,,,,,,,
100.032.689,235-974-8,13078-13-2,1-(m-tolyl)piperazine dihydrochloride,1-(3-methylphenyl)piperazine dihydrochloride,Cl.Cl.Cc1cccc(c1)N2CCNCC2,Cl.Cl.Cc1cccc(c1)N2CCNCC2,"InChI=1/C11H16N2.2ClH/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;;/h2-4,9,12H,5-8H2,1H3;2*1H",C11H16N2.2ClH,,,,,,QJNWTYUDISMTMR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.694,235-980-0,13078-45-0,"1,1'-(ethylenedioxy)bis(3-chloropropan-2-ol)",1-chloro-3-[2-(3-chloro-2-hydroxypropoxy)ethoxy]propan-2-ol (non-preferred name),OC(CCl)COCCOCC(O)CCl,OC(CCl)COCCOCC(O)CCl,"InChI=1/C8H16Cl2O4/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-8,11-12H,1-6H2",C8H16Cl2O4,,,,,,MEBAOCKWPXDTDB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.695,235-981-6,13078-76-7,"3,4-dimethoxy-N-methylphenethylamine hydrochloride","2-(3,4-dimethoxyphenyl)-N-methylethanamine hydrochloride",Cl.CNCCc1ccc(OC)c(OC)c1,Cl.CNCCc1ccc(OC)c(OC)c1,"InChI=1/C11H17NO2.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;/h4-5,8,12H,6-7H2,1-3H3;1H",C11H17NO2.ClH,,,,,,BGEONUMCBIQUTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.696,235-982-1,13078-80-3,o-chlorophenethylamine,2-(2-chlorophenyl)ethanamine,NCCc1ccccc1Cl,NCCc1ccccc1Cl,"InChI=1/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2",C8H10ClN,,,,,,RZBOMSOHMOVUES-UHFFFAOYSA-N,,,,,,,,,,,
100.032.701,235-987-9,13080-90-5,Bicyclo[2.2.1]hept-5-en-2-ol,bicyclo[2.2.1]hept-5-en-2-ol,OC1CC2CC1C=C2,OC1CC2CC1C=C2,"InChI=1/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2",C7H10O,,,,,,MKOSBHNWXFSHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.702,235-988-4,13081-17-9,4-chloro-2-cyclohexylphenol,4-chloro-2-cyclohexylphenol,Oc1ccc(Cl)cc1C2CCCCC2,Oc1ccc(Cl)cc1C2CCCCC2,"InChI=1/C12H15ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2",C12H15ClO,,,,,,XRUHXAQEOJDPEG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.707,235-994-7,13083-94-8,"1,6-hexanediylbis[trichlorosilane]","hexane-1,6-diylbis(trichlorosilane)",Cl[Si](Cl)(Cl)CCCCCC[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)CCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C6H12Cl6Si2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2",C6H12Cl6Si2,,,,,,ICJGKYTXBRDUMV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.071,239-695-2,15619-48-4,1-(benzyl)quinolinium chloride,1-benzylquinolinium chloride,[Cl-].C(c1ccccc1)[n+]2cccc3ccccc23,[Cl-].C(c1ccccc1)[n+]2cccc3ccccc23,"InChI=1/C16H14N.ClH/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;/h1-12H,13H2;1H/q+1;/p-1",C16H14N.Cl,,,,,,GFEJZIULYONCQB-UHFFFAOYSA-M,,,,,,,,,,,
100.036.077,239-701-3,15625-89-5,"2-ethyl-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate","2,2-bis[(acryloyloxy)methyl]butyl acrylate (non-preferred name)",CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3",C15H20O6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15232,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.077,DAKWPKUUDNSNPN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.341,245-491-4,23210-56-2,Ifenprodil,4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol,CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2,CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2,"InChI=1/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3",C21H27NO2,,,,,,UYNVMODNBIQBMV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.343,245-494-0,23211-47-4,"Trisodium 5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccccc4)n5,[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccccc4)n5,"InChI=1/C25H18ClN7O10S3.3Na/c26-23-29-24(27-14-6-2-1-3-7-14)31-25(30-23)28-17-12-15(44(35,36)37)10-13-11-19(46(41,42)43)21(22(34)20(13)17)33-32-16-8-4-5-9-18(16)45(38,39)40;;;/h1-12,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H2,27,28,29,30,31);;;/q;3*+1/p-3",C25H18ClN7O10S3.3Na,,,,,,WDWBPYFNRWQKNZ-UHFFFAOYSA-K,,,,,,,,,,,
100.041.344,245-495-6,23214-92-8,Doxorubicin,"3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside",COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO,"InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3",C27H29NO11,,,,,,AOJJSUZBOXZQNB-TZSSRYMLSA-N,Positive,mzcloud:708,[M+H]+,HCD_Averaged,397.0917:379.0813:361.0707:346.0472:321.07573:113.0597:130.08626:86.06004:72.04440,HighChem,,,,,
100.046.176,250-810-5,31795-44-5,Sodium 5-formylfuran-2-sulphonate,sodium 5-formylfuran-2-sulfonate,[Na+].[O-]S(=O)(=O)c1oc(C=O)cc1,[Na+].[O-]S(=O)(=O)c1oc(C=O)cc1,"InChI=1/C5H4O5S.Na/c6-3-4-1-2-5(10-4)11(7,8)9;/h1-3H,(H,7,8,9);/q;+1/p-1",C5H4O5S.Na,,,,,,ZTJAVDOZUQPVAV-UHFFFAOYSA-M,,,,,,,,,,,
100.046.177,250-811-0,31796-55-1,(S)-2-amino-N-(4-nitrophenyl)propionamide hydrochloride,N-(4-nitrophenyl)-L-alaninamide hydrochloride,Cl.C[C@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-],Cl.C[C@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H11N3O3.ClH/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15;/h2-6H,10H2,1H3,(H,11,13);1H",C9H11N3O3.ClH,,,,,,YEXRLSXNWLNHQR-RGMNGODLSA-N,,,,,,,,,,,
100.046.178,250-812-6,31798-12-6,"(-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",C\\C1=C\\CCC(C)(C)C1C=CC(C)=O,C\C1=C\CCC(C)(C)C1C=CC(C)=O,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3",C13H20O,,,,,,UZFLPKAIBPNNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.180,250-814-7,31805-83-1,"1,3-bis(methylthio)propan-2-ol","1,3-bis(methylsulfanyl)propan-2-ol",CSCC(O)CSC,CSCC(O)CSC,"InChI=1/C5H12OS2/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3",C5H12OS2,,,,,,BTQNSLFPJKRBQK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.181,250-815-2,31805-84-2,"2-methoxy-1,3-bis(methylthio)propane","2-methoxy-1,3-bis(methylsulfanyl)propane",COC(CSC)CSC,COC(CSC)CSC,"InChI=1/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3",C6H14OS2,,,,,,MOISORXUYSHXRU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.187,250-822-0,31825-07-7,"5-[(4-chlorobenzoyl)amino]-4-hydroxy-3-[[4-[(2-hydroxy-7-sulpho-1-naphthyl)azo]-2,5-dimethoxyphenyl]azo]naphthalene-2,7-disulphonic acid","5-[(4-chlorobenzoyl)amino]-4-hydroxy-3-({4-[(2-hydroxy-7-sulfo-1-naphthyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)naphthalene-2,7-disulfonic acid",O=C(Nc5cc(cc4cc(c(N=Nc3cc(OC)c(N=Nc1c2cc(ccc2ccc1O)S(O)(=O)=O)cc3OC)c(O)c45)S(O)(=O)=O)S(O)(=O)=O)c6ccc(Cl)cc6,O=C(Nc5cc(cc4cc(c(N=Nc3cc(OC)c(N=Nc1c2cc(ccc2ccc1O)S(O)(=O)=O)cc3OC)c(O)c45)S(O)(=O)=O)S(O)(=O)=O)c6ccc(Cl)cc6,"InChI=1/C35H26ClN5O14S3/c1-54-28-16-25(29(55-2)15-24(28)38-40-32-23-13-21(56(45,46)47)9-5-17(23)6-10-27(32)42)39-41-33-30(58(51,52)53)12-19-11-22(57(48,49)50)14-26(31(19)34(33)43)37-35(44)18-3-7-20(36)8-4-18/h3-16,42-43H,1-2H3,(H,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)",C35H26ClN5O14S3,,,,,,GARBTDPEKZIGBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.193,250-828-3,31835-06-0,Sucrose decanoate,3-O-decanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside,CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C22H40O12/c1-2-3-4-5-6-7-8-9-15(26)32-20-17(28)14(11-24)33-22(20,12-25)34-21-19(30)18(29)16(27)13(10-23)31-21/h13-14,16-21,23-25,27-30H,2-12H2,1H3",C22H40O12,,,,,,OXTQCKINYRBPJS-LUQRLMJOSA-N,,,,,,,,,,,
100.046.195,250-830-4,31837-42-0,"2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid","2-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)benzoic acid",OC(=O)c3ccccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,OC(=O)c3ccccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,"InChI=1/C18H15N5O5/c1-9(24)15(23-22-12-5-3-2-4-11(12)17(26)27)16(25)19-10-6-7-13-14(8-10)21-18(28)20-13/h2-8,15H,1H3,(H,19,25)(H,26,27)(H2,20,21,28)",C18H15N5O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14770,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.195,YMFWVWDPPIWORA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.555,241-328-6,17301-81-4,Brucine N-oxide hydrate,"2,3-dimethoxy-6,7,7a,8,8a,11,12a,12b,12c,13-decahydro-5H,14H-7,9-methano-12-oxa-7,14a-diazacyclohepta[1,2,3-cd]cyclopenta[g]fluoranthen-14-one 7-oxide",COc1cc2N3C4C5C(CC3=O)OCC=C6CN7(=O)CCC4(C7CC56)c2cc1OC,COc1cc2N3C4C5C(CC3=O)OCC=C6CN7(=O)CCC4(C7CC56)c2cc1OC,"InChI=1/C23H26N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3",C23H26N2O5,,,,,,HHHQMKWPZAYIAE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.556,241-329-1,17301-94-9,4-methylnonane,4-methylnonane,CCCCCC(C)CCC,CCCCCC(C)CCC,"InChI=1/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3",C10H22,,,,,,IALRSQMWHFKJJA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.557,241-330-7,17302-46-4,Methyl 5-nitrosalicylate,methyl 2-hydroxy-5-nitrobenzoate,COC(=O)c1cc(ccc1O)[N+](=O)[O-],COC(=O)c1cc(ccc1O)[N+](=O)[O-],"InChI=1/C8H7NO5/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,10H,1H3",C8H7NO5,,,,,,UUBFELFUKFJSRD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.560,241-333-3,17306-05-7,Chloromethylphenylvinylsilane,(chloromethyl)(phenyl)vinylsilane,ClC[SiH](C=C)c1ccccc1,ClC[SiH](C=C)c1ccccc1,"InChI=1/C9H11ClSi/c1-2-11(8-10)9-6-4-3-5-7-9/h2-7,11H,1,8H2",C9H11ClSi,,,,,,KPXQEFBKZKQXCD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.564,241-338-0,17308-90-6,Allyl undecanoate,allyl undecanoate,CCCCCCCCCCC(=O)OCC=C,CCCCCCCCCCC(=O)OCC=C,"InChI=1/C14H26O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h4H,2-3,5-13H2,1H3",C14H26O2,,,,,,PSGSIXPTLRADTD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.566,241-340-1,17313-85-8,Oxo[(tributylstannyl)oxy]borane,tributyl[(oxoboryl)oxy]stannane,CCCC[Sn](CCCC)(CCCC)OB=O,CCCC[Sn](CCCC)(CCCC)OB=O,"InChI=1/3C4H9.BO2.Sn/c3*1-3-4-2;2-1-3;/h3*1,3-4H2,2H3;;/q;;;-1;+1/rC12H27BO2Sn/c1-4-7-10-16(15-13-14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27BO2Sn,,,,,,JXCWEMJGZBYJBL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.569,241-343-8,17321-48-1,"O,O-diethyl thiophosphoramidate","O,O-diethyl amidothiophosphate",CCOP(=S)(N)OCC,CCOP(=S)(N)OCC,"InChI=1/C4H12NO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H2,5,9)",C4H12NO2PS,,,,,,LAGRCNJEUAJJQC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.572,241-346-4,17324-04-8,3-methyl-2-naphthol,3-methyl-2-naphthol,Cc1cc2ccccc2cc1O,Cc1cc2ccccc2cc1O,"InChI=1/C11H10O/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7,12H,1H3",C11H10O,,,,,,MYRXDLASSYFCAC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.574,241-349-0,17329-19-0,"N,N'-difurfurylidenehexane-1,6-diamine","N,N'-bis(2-furylmethylene)hexane-1,6-diamine",C(CN=Cc1ccco1)CCCCN=Cc2ccco2,C(CN=Cc1ccco1)CCCCN=Cc2ccco2,"InChI=1/C16H20N2O2/c1(3-9-17-13-15-7-5-11-19-15)2-4-10-18-14-16-8-6-12-20-16/h5-8,11-14H,1-4,9-10H2",C16H20N2O2,,,,,,LMXJMWBWWSFMLA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.577,241-352-7,17331-53-2,Thymidine 3'-benzoate,3'-O-benzoylthymidine,CC1=CN([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)C(=O)NC1=O,CC1=CN([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)",C17H18N2O6,,,,,,CZRPYTUJUAJMJJ-BFHYXJOUSA-N,,,,,,,,,,,
100.037.581,241-356-9,17333-84-5,3-chlorobenzenediazonium,3-chlorobenzenediazonium,Clc1cccc(c1)[N+]#N,Clc1cccc(c1)[N+]#N,InChI=1/C6H4ClN2/c7-5-2-1-3-6(4-5)9-8/h1-4H/q+1,C6H4ClN2,,,,,,BXXPSNZVGJRRDF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.582,241-357-4,17334-50-8,"cis-(±)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol",OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3,OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3,"InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",C15H14O6,,,,,,PFTAWBLQPZVEMU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.268,237-710-7,13935-00-7,Sodium 4-hydroxynaphthalene-2-sulphonate,sodium 4-hydroxynaphthalene-2-sulfonate,[Na+].Oc1cc(cc2ccccc12)S(=O)(=O)[O-],[Na+].Oc1cc(cc2ccccc12)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.Na,,,,,,IINOGGDSBSTVTO-UHFFFAOYSA-M,,,,,,,,,,,
100.034.272,237-714-9,13939-25-8,Aluminium dihydrogen triphosphate,-,[Al+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Al+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Al.3H3O4P/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-9",Al.H5O10P3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14476,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.272,RGPUVZXXZFNFBF-UHFFFAOYSA-E,,,,,,,,,,,
100.034.278,237-721-7,13940-94-8,4-chloro-1-(dichloromethyl)benzene,1-chloro-4-(dichloromethyl)benzene,ClC(Cl)c1ccc(Cl)cc1,ClC(Cl)c1ccc(Cl)cc1,"InChI=1/C7H5Cl3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H",C7H5Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/9988,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.278,VWHNJDGWDOQJRM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.282,237-725-9,13945-76-1,Dodecyl laurate,dodecyl laurate,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,"InChI=1/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3",C24H48O2,,,,,,CYUUZGXOQDCCGH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.286,237-730-6,13949-49-0,"2-amino-2',5-dichlorobenzophenone oxime","(2-aminophenyl)(2,5-dichlorophenyl)methanone oxime",Nc1ccccc1C(=NO)c2cc(Cl)ccc2Cl,Nc1ccccc1C(=NO)c2cc(Cl)ccc2Cl,"InChI=1/C13H10Cl2N2O/c14-8-5-6-11(15)10(7-8)13(17-18)9-3-1-2-4-12(9)16/h1-7,18H,16H2",C13H10Cl2N2O,,,,,,AQAJGYDOHHVGRB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.840,239-441-0,15430-62-3,"2-bromo-2-cyano-N,N-dimethylacetamide","2-bromo-2-cyano-N,N-dimethylacetamide",CN(C)C(=O)C(Br)C#N,CN(C)C(=O)C(Br)C#N,"InChI=1/C5H7BrN2O/c1-8(2)5(9)4(6)3-7/h4H,1-2H3",C5H7BrN2O,,,,,,HLAJXHYCSPHGGI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.841,239-442-6,15431-40-0,Magnesium di-L-ascorbate,"magnesium bis[2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate] (non-preferred name)",OCC(O)C1OC(=O)C(=C1O[Mg]OC2=C(O)C(=O)OC2C(O)CO)O,OCC(O)C1OC(=O)C(=C1O[Mg]OC2=C(O)C(=O)OC2C(O)CO)O,"InChI=1/2C6H8O6.Mg/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2",C6H8O6.1/2Mg,,,,,,AIOKQVJVNPDJKA-UHFFFAOYSA-L,,,,,,,,,,,
100.035.842,239-443-1,15432-57-2,Copper divalerate,copper(2+) dipentanoate,[Cu+2].O=C([O-])CCCC.[O-]C(=O)CCCC,[Cu+2].O=C([O-])CCCC.[O-]C(=O)CCCC,"InChI=1/2C5H10O2.Cu/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Cu,,,,,,NBPFTDFXKORRKN-UHFFFAOYSA-L,,,,,,,,,,,
100.035.843,239-444-7,15432-85-6,Sodium antimonate,trisodium antimonate,[Na+].[Na+].[Na+].[O-][Sb](=O)([O-])[O-],[Na+].[Na+].[Na+].[O-][Sb](=O)([O-])[O-],"InChI=1/3Na.4O.Sb/q3*+1;;3*-1;/r3Na.O4Sb/c;;;1-5(2,3)4/q3*+1;-3",Na.O3Sb,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5429,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.843,NSBGJRFJIJFMGW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.846,239-447-3,15435-60-6,"Tetramethyl 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-21H,23H-porphine-2,7,12,18-tetrapropionate","tetramethyl 3,3',3'',3'''-[3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)porphine-2,7,12,18-tetrayl]tetrapropanoate",COC(=O)CCC1=C(CC(=O)OC)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC(=O)OC)CCC(=O)OC)C(=C4CC(=O)OC)CCC(=O)OC)C(=C3CC(=O)OC)CCC(=O)OC,COC(=O)CCC1=C(CC(=O)OC)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC(=O)OC)CCC(=O)OC)C(=C4CC(=O)OC)CCC(=O)OC)C(=C3CC(=O)OC)CCC(=O)OC,"InChI=1/C48H52N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-35-27(11-15-43(55)63-3)30(18-46(58)66-6)38(51-35)23-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)24-39-31(19-47(59)67-7)26(10-14-42(54)62-2)34(50-39)21-33(25)49-37/h21-24H,9-20H2,1-8H3",C48H54N4O16,,,,,,TUMXQZLUOQKFJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.780,236-074-8,13139-16-7,N-(tert-butoxycarbonyl)-L-isoleucine,N-(tert-butoxycarbonyl)-L-isoleucine,CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O,CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)",C11H21NO4,,,,,,QJCNLJWUIOIMMF-MQWKRIRWSA-N,,,,,,,,,,,
100.032.783,236-077-4,13141-42-9,2-(2-phenylethynyl)pyridine,2-(phenylethynyl)pyridine,c1ccc(cc1)C#Cc2ccccn2,c1ccc(cc1)C#Cc2ccccn2,"InChI=1/C13H9N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-8,11H",C13H9N,,,,,,RODTWUBQTXSTLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.789,236-084-2,13147-57-4,(phosphonooxy)acetic acid,(phosphonooxy)acetic acid,OC(=O)COP(=O)(O)O,OC(=O)COP(=O)(O)O,"InChI=1/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",C2H5O6P,,,,,,ASCFNMCAHFUBCO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.793,236-088-4,13149-69-4,6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid,6-O-[bis(diisopropylamino)acetyl]hexonic acid,CC(C)N(C(C)C)C(N(C(C)C)C(C)C)C(=O)OCC(O)C(O)C(O)C(O)C(=O)O,CC(C)N(C(C)C)C(N(C(C)C)C(C)C)C(=O)OCC(O)C(O)C(O)C(O)C(=O)O,"InChI=1/C20H40N2O8/c1-10(2)21(11(3)4)18(22(12(5)6)13(7)8)20(29)30-9-14(23)15(24)16(25)17(26)19(27)28/h10-18,23-26H,9H2,1-8H3,(H,27,28)",C20H40N2O8,,,,,,RVSTWRHIGKXTLG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.798,236-094-7,13155-57-2,"2,2,6-trimethylcyclohexanecarbaldehyde","2,2,6-trimethylcyclohexanecarbaldehyde",CC1CCCC(C)(C)C1C=O,CC1CCCC(C)(C)C1C=O,"InChI=1/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,MPLGIGIOVUTMJA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.802,236-098-9,13159-80-3,N-[(4-chlorophenyl)methyl]pyridin-4-amine,N-(4-chlorobenzyl)pyridin-4-amine,Clc1ccc(CNc2ccncc2)cc1,Clc1ccc(CNc2ccncc2)cc1,"InChI=1/C12H11ClN2/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1-8H,9H2,(H,14,15)",C12H11ClN2,,,,,,HIALJOTZJYQLCG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.804,236-100-8,13161-30-3,2-hydroxypyridine 1-oxide,pyridin-2-ol 1-oxide,Oc1cccc[n+]1[O-],Oc1cccc[n+]1[O-],"InChI=1/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H",C5H5NO2,,,,,,JVHZMYAXZUIZKS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.811,236-108-1,13167-25-4,"1-(2,4,6-trichlorophenyl)-1H-pyrrole-2,5-dione","1-(2,4,6-trichlorophenyl)-1H-pyrrole-2,5-dione",Clc1cc(Cl)c(N2C(=O)C=CC2=O)c(Cl)c1,Clc1cc(Cl)c(N2C(=O)C=CC2=O)c(Cl)c1,InChI=1/C10H4Cl3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H,C10H4Cl3NO2,,,,,,VHZJMAJCUAWIHV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.812,236-109-7,13170-05-3,Bis[4-(tert-butyl)benzoato-O]hydroxyaluminium,aluminum hydroxide bis(4-tert-butylbenzoate),CC(C)(C)c1ccc(cc1)C(=O)O[Al](O)OC(=O)c2ccc(cc2)C(C)(C)C,CC(C)(C)c1ccc(cc1)C(=O)O[Al](O)OC(=O)c2ccc(cc2)C(C)(C)C,"InChI=1/2C11H14O2.Al.H2O/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h2*4-7H,1-3H3,(H,12,13);;1H2/q;;+3;/p-3/rC22H27AlO5/c1-21(2,3)17-11-7-15(8-12-17)19(24)27-23(26)28-20(25)16-9-13-18(14-10-16)22(4,5)6/h7-14,26H,1-6H3",C22H27AlO5,,,,,,OYFUVZBROQZLCL-UHFFFAOYSA-K,,,,,,,,,,,
100.032.815,236-112-3,13170-23-5,Diacetoxydi-tert-butoxysilane,diacetyl di-tert-butyl orthosilicate,CC(=O)O[Si](OC(=O)C)(OC(C)(C)C)OC(C)(C)C,CC(=O)O[Si](OC(=O)C)(OC(C)(C)C)OC(C)(C)C,"InChI=1/C12H24O6Si/c1-9(13)15-19(16-10(2)14,17-11(3,4)5)18-12(6,7)8/h1-8H3",C12H24O6Si,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6913,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.815,OPARTXXEFXPWJL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.081,239-706-0,15630-64-5,Ferrichrome,[glycyl-N~5~-acetyl-N~5~-(hydroxy-kappaO)ornithyl-N~5~-acetyl-N~5~-(hydroxy-kappaO)ornithyl-N~5~-acetyl-N~5~-(hydroxy-kappaO)ornithylglycylglycyl]iron,CC(=O)N1CCCC2NC(=O)CNC(=O)CNC(=O)CNC(=O)C3CCCN(O[Fe](O1)ON(CCCC(NC2=O)C(=O)N3)C(=O)C)C(=O)C,CC(=O)N1CCCC2NC(=O)CNC(=O)CNC(=O)CNC(=O)C3CCCN(O[Fe](O1)ON(CCCC(NC2=O)C(=O)N3)C(=O)C)C(=O)C,"InChI=1/C27H42N9O12.Fe/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h19-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-3;+3/rC27H42FeN9O12/c1-16(38)35-10-4-7-19-25(44)31-14-23(42)29-13-22(41)30-15-24(43)32-20-8-5-11-36(17(2)39)48-28(47-35)49-37(18(3)40)12-6-9-21(27(46)33-19)34-26(20)45/h19-21H,4-15H2,1-3H3,(H,29,42)(H,30,41)(H,31,44)(H,32,43)(H,33,46)(H,34,45)",C27H42FeN9O12,,,,,,GGUNGDGGXMHBMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.082,239-707-6,15630-89-4,"Disodium carbonate, compound with hydrogen peroxide (2:3)",-,[Na+].[Na+].[Na+].[Na+].OO.OO.OO.[O-]C(=O)[O-].[O-]C(=O)[O-],[Na+].[Na+].[Na+].[Na+].OO.OO.OO.[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/2CH2O3.4Na.3H2O2/c2*2-1(3)4;;;;;3*1-2/h2*(H2,2,3,4);;;;;3*1-2H/q;;4*+1;;;/p-4",CH2O3.3/2H2O2.2Na,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15960,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.082,MSLRPWGRFCKNIZ-UHFFFAOYSA-J,,,,,,,,,,,
100.036.088,239-713-9,15646-46-5,4-ethoxymethylene-2-phenyl-2-oxazoline-5-one,"4-(ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one",O=C1O\\C(=N/C1=COCC)c2ccccc2,O=C1O\C(=N/C1=COCC)c2ccccc2,"InChI=1/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3",C12H11NO3,,,,,,SJHPCNCNNSSLPL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.101,239-728-0,15656-86-7,Barium phthalate,barium phthalate,[Ba+2].[O-]C(=O)c1ccccc1C(=O)[O-],[Ba+2].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.Ba/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2",C8H6O4.Ba,,,,,,MTZOKGSUOABQEO-UHFFFAOYSA-L,,,,,,,,,,,
100.036.104,239-731-7,15661-00-4,Diammonium tetrabromopalladate(2-),diammonium tetrabromopalladate(2-),[NH4+].[NH4+].Br[Pd-2](Br)(Br)Br,[NH4+].[NH4+].Br[Pd-2](Br)(Br)Br,"InChI=1/4BrH.2H3N.Pd/h4*1H;2*1H3;/q;;;;;;+4/p-2/rBr4Pd.2H3N/c1-5(2,3)4;;/h;2*1H3/p+2",Br4Pd.2H4N,,,,,,UQZGCQZNXUAIGZ-UHFFFAOYSA-L,,,,,,,,,,,
100.036.109,239-736-4,15664-19-4,"5-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one","5-[2-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one",O=C5N(CCCCCCC)C(=S)N(c1ccccc1)C5=CC=C4Sc3ccc2ccccc2c3N4CC,O=C5N(CCCCCCC)C(=S)N(c1ccccc1)C5=CC=C4Sc3ccc2ccccc2c3N4CC,"InChI=1/C31H33N3OS2/c1-3-5-6-7-13-22-33-30(35)26(34(31(33)36)24-15-9-8-10-16-24)19-21-28-32(4-2)29-25-17-12-11-14-23(25)18-20-27(29)37-28/h8-12,14-21H,3-7,13,22H2,1-2H3",C31H33N3OS2,,,,,,GYTYGDPOBZAIAI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.111,239-739-0,15666-28-1,Butyltris(dodecylthio)stannane,butyl[tris(dodecylsulfanyl)]stannane,CCCCCCCCCCCCS[Sn](CCCC)(SCCCCCCCCCCCC)SCCCCCCCCCCCC,CCCCCCCCCCCCS[Sn](CCCC)(SCCCCCCCCCCCC)SCCCCCCCCCCCC,"InChI=1/3C12H26S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-4-2;/h3*13H,2-12H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC40H84S3Sn/c1-5-9-13-16-19-22-25-28-31-34-37-41-44(40-12-8-4,42-38-35-32-29-26-23-20-17-14-10-6-2)43-39-36-33-30-27-24-21-18-15-11-7-3/h5-40H2,1-4H3",C40H84S3Sn,,,,,,BXTPXLVVVVHPKJ-UHFFFAOYSA-K,,,,,,,,,,,
100.036.114,239-742-7,15667-24-0,1-(hydroxymethyl)-imidazolidin-2-one,1-(hydroxymethyl)imidazolidin-2-one,OCN1CCNC1=O,OCN1CCNC1=O,"InChI=1/C4H8N2O2/c7-3-6-2-1-5-4(6)8/h7H,1-3H2,(H,5,8)",C4H8N2O2,,,,,,XQCHHZHVJHXGCM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.321,235-567-5,12298-68-9,Potassium triiodide,potassium triiodide,[K+].[K+].[K+].[I-].[I-].[I-],[K+].[K+].[K+].[I-].[I-].[I-],InChI=1/3HI.3K/h3*1H;;;/q;;;3*+1/p-3,I3K,,,,,,SXCNIMWWAMBODV-UHFFFAOYSA-K,,,,,,,,,,,
100.032.326,235-572-2,12301-77-8,"Cerium, compound with magnesium (1:3)",cerium - magnesium (1:3),[MgH2].[MgH2].[MgH2].[Ce],[MgH2].[MgH2].[MgH2].[Ce],InChI=1/Ce.3Mg.6H/q+3;3*+2;;;;;;/rCe.3H2Mg/h;3*1H2/q+3;3*+2,Ce.Mg,,,,,,NOSTVPUPJJNQTN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.347,235-595-8,12336-95-7,Chromium hydroxide sulphate,-,[OH-].[Cr+2].[O-]S(=O)(=O)[O-],[OH-].[Cr+2].[O-]S(=O)(=O)[O-],"InChI=1/Cr.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-3",CrHO5S,,,,,,BFKDGPYHRYMCEV-UHFFFAOYSA-K,,,,,,,,,,,
100.032.362,235-612-9,12365-92-3,"4,7-dichloroquinolinium tribromide","4,7-dichloroquinolinium tribromide",[Br-].[Br-].[Br-].Clc1ccc2c(Cl)cc[nH+]c2c1.Clc3ccc4c(Cl)cc[nH+]c4c3.Clc5ccc6c(Cl)cc[nH+]c6c5,[Br-].[Br-].[Br-].Clc1ccc2c(Cl)cc[nH+]c2c1.Clc3ccc4c(Cl)cc[nH+]c4c3.Clc5ccc6c(Cl)cc[nH+]c6c5,InChI=1/3C9H5Cl2N.3BrH/c3*10-6-1-2-7-8(11)3-4-12-9(7)5-6;;;/h3*1-5H;3*1H,C9H5Cl2N.Br3H,,,,,,FXNZLNJFTGEDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.737,239-328-6,15284-51-2,Calcium myristate,calcium ditetradecanoate,[Ca+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C14H28O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2",C14H28O2.1/2Ca,,,,,,LSFBQOPXRBJSSI-UHFFFAOYSA-L,,,,,,,,,,,
100.046.196,250-832-5,31841-41-5,"(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)bis(2-hydroxyethyl)methylammonium iodide","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N,N-bis(2-hydroxyethyl)-N-methyldecan-1-aminium iodide",[I-].C[N+](CCO)(CCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](CCO)(CCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H17F17NO2.HI/c1-33(4-6-34,5-7-35)3-2-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;/h34-35H,2-7H2,1H3;1H/q+1;/p-1",C15H17F17NO2.I,,,,,,JRKJESUMGCTNMA-UHFFFAOYSA-M,,,,,,,,,,,
100.046.200,250-836-7,31844-98-1,1-bromobut-1-ene,1-bromobut-1-ene,BrC=CCC,BrC=CCC,"InChI=1/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3",C4H7Br,,,,,,IUXHPSPHPKXTPA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.202,250-838-8,31848-01-8,Morclofone,"(4-chlorophenyl)[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone",COc1cc(cc(OC)c1OCCN2CCOCC2)C(=O)c3ccc(Cl)cc3,COc1cc(cc(OC)c1OCCN2CCOCC2)C(=O)c3ccc(Cl)cc3,"InChI=1/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3",C21H24ClNO5,,,,,,KVCJCEKJKGLBOK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.203,250-839-3,31848-02-9,"4'-chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)benzophenone hydrochloride","(4-chlorophenyl)[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone hydrochloride",Cl.COc1cc(cc(OC)c1OCCN2CCOCC2)C(=O)c3ccc(Cl)cc3,Cl.COc1cc(cc(OC)c1OCCN2CCOCC2)C(=O)c3ccc(Cl)cc3,"InChI=1/C21H24ClNO5.ClH/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23;/h3-6,13-14H,7-12H2,1-2H3;1H",C21H24ClNO5.ClH,,,,,,VTAVBRPGDUSILL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.673,250-256-4,30598-34-6,1-(3-phenylpropylamino)guanidine hydrochloride,2-(3-phenylpropyl)hydrazinecarboximidamide hydrochloride,Cl.NC(=N)NNCCCc1ccccc1,Cl.NC(=N)NNCCCc1ccccc1,"InChI=1/C10H16N4.ClH/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6,13H,4,7-8H2,(H4,11,12,14);1H",C10H16N4.ClH,,,,,,UFSCCUHWJJVNLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.684,250-269-5,30640-46-1,Methylcyclohexadiene,"1-methylcyclohexa-1,3-diene",CC1=CC=CCC1,CC1=CC=CCC1,"InChI=1/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",C7H10,,,,,,QMFJIJFIHIDENY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.688,250-273-7,30653-71-5,Dibutyl phosphonite,dibutyl phosphonite,CCCCOPOCCCC,CCCCOPOCCCC,"InChI=1/C8H19O2P/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-8H2,1-2H3",C8H19O2P,,,,,,YQVYPOYAWKCVIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.689,250-274-2,30653-83-9,Parsalmide,5-amino-N-butyl-2-(prop-2-yn-1-yloxy)benzamide,CCCCNC(=O)c1cc(N)ccc1OCC#C,CCCCNC(=O)c1cc(N)ccc1OCC#C,"InChI=1/C14H18N2O2/c1-3-5-8-16-14(17)12-10-11(15)6-7-13(12)18-9-4-2/h2,6-7,10H,3,5,8-9,15H2,1H3,(H,16,17)",C14H18N2O2,,,,,,DXHYQIJBUNRPJT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.695,250-281-0,30673-38-2,Isobutyl decanoate,isobutyl decanoate,CCCCCCCCCC(=O)OCC(C)C,CCCCCCCCCC(=O)OCC(C)C,"InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3",C14H28O2,,,,,,AXTPGRJJIGEOOY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.696,250-282-6,30673-56-4,"Ammonium 1,4-bis(2-ethylhexyl) sulphonatosuccinate","ammonium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate",[NH4+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],[NH4+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],"InChI=1/C20H38O7S.H3N/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);1H3",C20H38O7S.H3N,,,,,,BWSNWGNFRMLBCY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.699,250-285-2,30676-91-6,Isooctyl 2-ethylhexanoate,6-methylheptyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCCCCCC(C)C,CCCCC(CC)C(=O)OCCCCCC(C)C,"InChI=1/C16H32O2/c1-5-7-12-15(6-2)16(17)18-13-10-8-9-11-14(3)4/h14-15H,5-13H2,1-4H3",C16H32O2,,,,,,ARKBMHLACAUIQS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.700,250-286-8,30677-14-6,2-nitrophenyl ß-D-galactoside,2-nitrophenyl hexopyranoside,OCC1OC(Oc2ccccc2N(=O)=O)C(O)C(O)C1O,OCC1OC(Oc2ccccc2N(=O)=O)C(O)C(O)C1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,KUWPCJHYPSUOFW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.707,250-294-1,30687-08-2,"N-(2-hydroxy-1,1-dimethylethyl)cinnamamide","N-(2-hydroxy-1,1-dimethylethyl)-3-phenylacrylamide",CC(C)(CO)NC(=O)\\C=C\\c1ccccc1,CC(C)(CO)NC(=O)\C=C\c1ccccc1,"InChI=1/C13H17NO2/c1-13(2,10-15)14-12(16)9-8-11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3,(H,14,16)",C13H17NO2,,,,,,HLNXBLMILSOABY-CMDGGOBGSA-N,,,,,,,,,,,
100.045.708,250-295-7,30687-17-3,"N,N-bis(2-hydroxyethyl)cinnamamide","N,N-bis(2-hydroxyethyl)-3-phenylacrylamide",OCCN(CCO)C(=O)\\C=C\\c1ccccc1,OCCN(CCO)C(=O)\C=C\c1ccccc1,"InChI=1/C13H17NO3/c15-10-8-14(9-11-16)13(17)7-6-12-4-2-1-3-5-12/h1-7,15-16H,8-11H2",C13H17NO3,,,,,,SELFEGODBFAHGT-VOTSOKGWSA-N,,,,,,,,,,,
100.045.710,250-297-8,30689-77-1,Methyl (Z)-14-methylhexadec-8-enoate,methyl 14-methylhexadec-8-enoate,CCC(C)CCCC\\C=C/CCCCCCC(=O)OC,CCC(C)CCCC\C=C/CCCCCCC(=O)OC,"InChI=1/C18H34O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h5,7,17H,4,6,8-16H2,1-3H3",C18H34O2,,,,,,KXKSZSXMFYJWFU-ALCCZGGFSA-N,,,,,,,,,,,
100.045.711,250-298-3,30692-16-1,Tridecan-5-one,tridecan-5-one,CCCCCCCCC(=O)CCCC,CCCCCCCCC(=O)CCCC,"InChI=1/C13H26O/c1-3-5-7-8-9-10-12-13(14)11-6-4-2/h3-12H2,1-2H3",C13H26O,,,,,,VCTJSLKBPLOIOT-UHFFFAOYSA-N,,,,,,,,,,,
100.034.301,237-746-3,13966-94-4,Indium iodide,indium triiodide,[In+3].[I-].[I-].[I-],[In+3].[I-].[I-].[I-],InChI=1/3HI.In/h3*1H;/q;;;+3/p-3,IIn,,,,,,RMUKCGUDVKEQPL-UHFFFAOYSA-K,,,,,,,,,,,
100.034.303,237-748-4,13967-50-5,Potassium dicyanoaurate,potassium bis(cyano-kappaC)aurate(1-),[K+].N#C[Au-]C#N,[K+].N#C[Au-]C#N,InChI=1/2CN.Au.K/c2*1-2;;/q;;2*+1/rC2AuN2.K/c4-1-3-2-5;/q2*+1,C2AuN2.K,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17924,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.303,OQHPFUBKFKRHKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.304,237-750-5,13967-90-3,Barium bromate,barium dibromate,[Ba+2].[O-]Br(=O)=O.[O-]Br(=O)=O,[Ba+2].[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/Ba.2BrHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",Ba.2BrHO3,,,,,,VEASZGAADGZARC-UHFFFAOYSA-L,,,,,,,,,,,
100.037.673,241-457-8,17433-19-1,"1,4-dinicotinoylpiperazine","1,4-bis(pyridin-3-ylcarbonyl)piperazine",O=C(N1CCN(CC1)C(=O)c2cccnc2)c3cccnc3,O=C(N1CCN(CC1)C(=O)c2cccnc2)c3cccnc3,"InChI=1/C16H16N4O2/c21-15(13-3-1-5-17-11-13)19-7-9-20(10-8-19)16(22)14-4-2-6-18-12-14/h1-6,11-12H,7-10H2",C16H16N4O2,,,,,,DZUBOXRMAQRSPL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.683,241-468-8,17451-67-1,"Ethyl (S)-1,3-dihydro-a-[(4-nitrophenyl)methyl]-1,3-dioxo-2H-isoindole-2-acetate","ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(4-nitrophenyl)propanoate",CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N2C(=O)c3ccccc3C2=O,CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N2C(=O)c3ccccc3C2=O,"InChI=1/C19H16N2O6/c1-2-27-19(24)16(11-12-7-9-13(10-8-12)21(25)26)20-17(22)14-5-3-4-6-15(14)18(20)23/h3-10,16H,2,11H2,1H3",C19H16N2O6,,,,,,RVEIAMZETABDBE-INIZCTEOSA-N,,,,,,,,,,,
100.037.687,241-473-5,17455-13-9,"1,4,7,10,13,16-hexaoxacyclooctadecane","1,4,7,10,13,16-hexaoxacyclooctadecane",C1COCCOCCOCCOCCOCCO1,C1COCCOCCOCCOCCOCCO1,InChI=1/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2,C12H24O6,,,,,,XEZNGIUYQVAUSS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.688,241-474-0,17455-23-1,"Tetracosahydrodibenz[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin","tetracosahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine",C1CCC2OCCOCCOCCOC3CCCCC3OCCOCCOCCOC2C1,C1CCC2OCCOCCOCCOC3CCCCC3OCCOCCOCCOC2C1,"InChI=1/C24H44O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h21-24H,1-20H2",C24H44O8,,,,,,QMLGNDFKJAFKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.913,237-320-7,13746-58-2,5-isobornyl-2-methoxyphenol,"2-methoxy-5-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1ccc(cc1O)C2CC3CCC2(C)C3(C)C,COc1ccc(cc1O)C2CC3CCC2(C)C3(C)C,"InChI=1/C17H24O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-15(19-4)14(18)9-11/h5-6,9,12-13,18H,7-8,10H2,1-4H3",C17H24O2,,,,,,GCUHVRDKQDPZGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.916,237-323-3,13746-66-2,Tripotassium hexacyanoferrate,-,[K+].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N,[K+].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Fe.3K/c6*1-2;;;;/q;;;;;;;3*+1/rC6FeN6.3K/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;/q;3*+1",C6FeN6.3K,,,,,,MIMJFNVDBPUTPB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.918,237-325-4,13746-98-0,Thallium trinitrate,thallium trinitrate,[Tl+].[Tl+].[Tl+].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Tl+].[Tl+].[Tl+].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.3Tl/c3*2-1(3)4;;;/q3*-1;3*+1,HNO3.1/3Tl,,,,,,HAEDCPYCTGHOJA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.921,237-329-6,13748-90-8,L-2-hydroxy-4-methylvaleric acid,2-hydroxy-4-methylpentanoic acid,CC(C)CC(O)C(=O)O,CC(C)CC(O)C(=O)O,"InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",C6H12O3,,,,,,LVRFTAZAXQPQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.922,237-330-1,13749-38-7,"1,2-dibromo-1,1,2-trichloroethane","1,2-dibromo-1,1,2-trichloroethane",ClC(Br)C(Cl)(Cl)Br,ClC(Br)C(Cl)(Cl)Br,"InChI=1/C2HBr2Cl3/c3-1(5)2(4,6)7/h1H",C2HBr2Cl3,,,,,,VXKOVUFOVCJHBA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.927,237-335-9,13752-51-7,4-[(morpholinothio)thioxomethyl]morpholine,4-[(morpholin-4-ylcarbonothioyl)sulfanyl]morpholine,S=C(SN1CCOCC1)N2CCOCC2,S=C(SN1CCOCC1)N2CCOCC2,InChI=1/C9H16N2O2S2/c14-9(10-1-5-12-6-2-10)15-11-3-7-13-8-4-11/h1-8H2,C9H16N2O2S2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12622,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.927,HOEFWOBLOGZQIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.928,237-336-4,13753-71-4,(dodecylthio)acetic acid,(dodecylsulfanyl)acetic acid,CCCCCCCCCCCCSCC(=O)O,CCCCCCCCCCCCSCC(=O)O,"InChI=1/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H,15,16)",C14H28O2S,,,,,,LZQSKUQISWIZQS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.930,237-339-0,13754-19-3,"4,5-diaminopyrimidine","pyrimidine-4,5-diamine",Nc1cncnc1N,Nc1cncnc1N,"InChI=1/C4H6N4/c5-3-1-7-2-8-4(3)6/h1-2H,5H2,(H2,6,7,8)",C4H6N4,,,,,,PPAULTVPKLVLII-UHFFFAOYSA-N,,,,,,,,,,,
100.033.938,237-347-4,13759-87-0,Samarium tribromide,-,[Br-].[Br-].[Br-].[Sm+2],[Br-].[Br-].[Br-].[Sm+2],InChI=1/3BrH.Sm/h3*1H;/q;;;+2/p-3,Br3Sm,,,,,,AZZVMJLVQSFNBS-UHFFFAOYSA-K,,,,,,,,,,,
100.033.945,237-355-8,13760-81-1,Lutetium trifluoride,lutetium trifluoride,[F-].[F-].[F-].[Lu+3],[F-].[F-].[F-].[Lu+3],InChI=1/3FH.Lu/h3*1H;/q;;;+3/p-3,F3Lu,,,,,,VIHLFTMKXFWYAS-UHFFFAOYSA-K,,,,,,,,,,,
100.033.956,237-367-3,13765-24-7,Samarium trifluoride,-,[F-].[F-].[F-].[Sm+2],[F-].[F-].[F-].[Sm+2],InChI=1/3FH.Sm/h3*1H;/q;;;+2/p-3,F3Sm,,,,,,KFDKHUNVPYVECC-UHFFFAOYSA-K,,,,,,,,,,,
100.032.818,236-116-5,13171-21-6,Phosphamidon,2-chloro-3-(diethylamino)-1-methyl-3-oxoprop-1-en-1-yl dimethyl phosphate,O=P(OC)(OC(C)=C(Cl)C(=O)N(CC)CC)OC,O=P(OC)(OC(C)=C(Cl)C(=O)N(CC)CC)OC,"InChI=1/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3",C10H19ClNO5P,,,,,,RGCLLPNLLBQHPF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.819,236-117-0,13171-25-0,Trimetazidine dihydrochloride,"1-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride",Cl.Cl.COc1ccc(CN2CCNCC2)c(OC)c1OC,Cl.Cl.COc1ccc(CN2CCNCC2)c(OC)c1OC,"InChI=1/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H",C14H22N2O3.2ClH,,,,,,VYFLPFGUVGMBEP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.820,236-118-6,13171-64-7,"Dimethyl [S(R*,R*)]-tartrate",dimethyl tartarate,COC(=O)C(O)C(O)C(=O)OC,COC(=O)C(O)C(O)C(=O)OC,"InChI=1/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3",C6H10O6,,,,,,PVRATXCXJDHJJN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.175,239-809-0,15717-40-5,"N,N'-diphenylpropane-1,2-diamine","N,N'-diphenylpropane-1,2-diamine",CC(CNc1ccccc1)Nc2ccccc2,CC(CNc1ccccc1)Nc2ccccc2,"InChI=1/C15H18N2/c1-13(17-15-10-6-3-7-11-15)12-16-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3",C15H18N2,,,,,,BBRHQNMMUUMVDE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.180,239-814-8,15720-98-6,Octadecafluoro-9-(trifluoromethyl)decanoyl fluoride,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-octadecafluoro-9-(trifluoromethyl)decanoyl fluoride",FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C11F22O/c12-1(34)2(13,14)4(16,17)6(20,21)8(24,25)9(26,27)7(22,23)5(18,19)3(15,10(28,29)30)11(31,32)33",C11F22O,,,,,,YEONIHINJPEQCM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.183,239-817-4,15723-90-7,4-nitrobenzamidine hydrochloride,4-nitrobenzenecarboximidamide hydrochloride,Cl.NC(=N)c1ccc(cc1)[N+](=O)[O-],Cl.NC(=N)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H7N3O2.ClH/c8-7(9)5-1-3-6(4-2-5)10(11)12;/h1-4H,(H3,8,9);1H",C7H7N3O2.ClH,,,,,,CJXJAUKCHHAJQN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.195,239-831-0,15739-80-7,"Sulphuric acid, lead salt",-,[Pb].OS(O)(=O)=O,[Pb].OS(O)(=O)=O,"InChI=1/H2O4S.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/rH2O4S.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4",H2O4S.xPb,,,,,,SMBGWMJTOOLQHN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.196,239-832-6,15741-79-4,N-benzyl-1H-indole-3-ethylamine,N-benzyl-2-(1H-indol-3-yl)ethanamine,C(Cc1c[nH]c2ccccc12)NCc3ccccc3,C(Cc1c[nH]c2ccccc12)NCc3ccccc3,"InChI=1/C17H18N2/c1-2-6-14(7-3-1)12-18-11-10-15-13-19-17-9-5-4-8-16(15)17/h1-9,13,18-19H,10-12H2",C17H18N2,,,,,,PRRZWJAGZHENJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.198,239-834-7,15742-62-8,"2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)octyl fluoride","1,1,1,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-2-(trifluoromethyl)octane",FCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,FCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C9H2F18/c10-1-2(11,12)4(14,15)6(18,19)7(20,21)5(16,17)3(13,8(22,23)24)9(25,26)27/h1H2",C9F18O,,,,,,ZVGZTNIMVYXKLD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.199,239-835-2,15743-19-8,Cadmium acrylate,cadmium diacrylate,[Cd+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Cd+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Cd/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Cd,,,,,,RZAYBKJDFFZDSQ-UHFFFAOYSA-L,,,,,,,,,,,
100.036.208,239-845-7,15760-18-6,"<U+03B3>,4-dimethylcyclohex-3-ene-1-propan-1-ol",3-(4-methylcyclohex-3-en-1-yl)butan-1-ol,CC(CCO)C1CCC(=CC1)C,CC(CCO)C1CCC(=CC1)C,"InChI=1/C11H20O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,10-12H,4-8H2,1-2H3",C11H20O,,,,,,JTVKFAPEIBMMHX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.211,239-848-3,15761-39-4,"1-(tert-butyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate",1-(tert-butoxycarbonyl)-L-proline,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)",C10H17NO4,,,,,,ZQEBQGAAWMOMAI-ZETCQYMHSA-N,,,,,,,,,,,
100.036.212,239-849-9,15761-96-3,"2-benzyl-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide","2-benzyl-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide",CC1(C)COP(=O)(Cc2ccccc2)OC1,CC1(C)COP(=O)(Cc2ccccc2)OC1,"InChI=1/C12H17O3P/c1-12(2)9-14-16(13,15-10-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3",C12H17O3P,,,,,,QULASSAQFUJMIP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.213,239-850-4,15762-53-5,Dimethyl [[3-[(2-methyl-1-oxoallyl)amino]phenyl]sulphonyl]phosphoramidate,dimethyl {[3-(methacryloylamino)phenyl]sulfonyl}amidophosphate,COP(=O)(NS(=O)(=O)c1cccc(NC(=O)C(=C)C)c1)OC,COP(=O)(NS(=O)(=O)c1cccc(NC(=O)C(=C)C)c1)OC,"InChI=1/C12H17N2O6PS/c1-9(2)12(15)13-10-6-5-7-11(8-10)22(17,18)14-21(16,19-3)20-4/h5-8H,1H2,2-4H3,(H,13,15)(H,14,16)",C12H17N2O6PS,,,,,,VGQJNYUIUBRKHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.215,239-853-0,15763-57-2,"Dipotassium 2,5-dihydroxybenzene-1,4-disulphonate","dipotassium 2,5-dihydroxybenzene-1,4-disulfonate",[K+].[K+].Oc1cc(c(O)cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].[K+].Oc1cc(c(O)cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H6O8S2.2K/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",C6H6O8S2.2K,,,,,,AVXGDRLJYMNJNK-UHFFFAOYSA-L,,,,,,,,,,,
100.035.743,239-334-9,15301-40-3,Actinoquinol,8-ethoxyquinoline-5-sulfonic acid,CCOc1ccc(c2cccnc12)S(=O)(=O)O,CCOc1ccc(c2cccnc12)S(=O)(=O)O,"InChI=1/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)",C11H11NO4S,,,,,,YAMVZYRZAMBCED-UHFFFAOYSA-N,,,,,,,,,,,
100.035.744,239-335-4,15301-48-1,Bezitramide,"4-[4-(2-oxo-3-propionyl-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]-2,2-diphenylbutanenitrile",CCC(=O)N1C(=O)N(C2CCN(CCC(C#N)(c3ccccc3)c4ccccc4)CC2)c5ccccc15,CCC(=O)N1C(=O)N(C2CCN(CCC(C#N)(c3ccccc3)c4ccccc4)CC2)c5ccccc15,"InChI=1/C31H32N4O2/c1-2-29(36)35-28-16-10-9-15-27(28)34(30(35)37)26-17-20-33(21-18-26)22-19-31(23-32,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26H,2,17-22H2,1H3",C31H32N4O2,,,,,,FLKWNFFCSSJANB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.746,239-338-0,15301-93-6,Tofenacin,N-methyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine,CNCCOC(c1ccccc1)c2ccccc2C,CNCCOC(c1ccccc1)c2ccccc2C,"InChI=1/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3",C17H21NO,,,,,,PNYKGCPSFKLFKA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.501,241-268-0,17228-71-6,"3,5-dichloropyridin-4-ol","3,5-dichloropyridin-4-ol",Oc1c(Cl)cncc1Cl,Oc1c(Cl)cncc1Cl,"InChI=1/C5H3Cl2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)",C5H3Cl2NO,,,,,,YKCQWIYRLMNGMO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.503,241-270-1,17230-88-5,Danazol,"1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol",C[C@]12Cc3cnoc3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C,C[C@]12Cc3cnoc3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C,"InChI=1/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3",C22H27NO2,,,,,,POZRVZJJTULAOH-LHZXLZLDSA-N,,,,,,,,,,,
100.037.505,241-272-2,17238-56-1,Bis(pyrrolidine-1-carboxamidine) sulphate,pyrrolidine-1-carboximidamide sulfate (2:1),NC(=N)N1CCCC1.NC(=N)N2CCCC2.OS(=O)(=O)O,NC(=N)N1CCCC1.NC(=N)N2CCCC2.OS(=O)(=O)O,"InChI=1/2C5H11N3.H2O4S/c2*6-5(7)8-3-1-2-4-8;1-5(2,3)4/h2*1-4H2,(H3,6,7);(H2,1,2,3,4)",C5H11N3.1/2H2O4S,,,,,,PUQSNYCOFYBHRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.510,241-278-5,17243-38-8,Azidocillin,"6-{[azido(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=[N+]=[N-])c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=[N+]=[N-])c3ccccc3)C(=O)N2[C@H]1C(=O)O,"InChI=1/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)",C16H17N5O4S,,,,,,ODFHGIPNGIAMDK-NJBDSQKTSA-N,,,,,,,,,,,
100.037.517,241-285-3,17252-77-6,(2H18)octane,octane,CCCCCCCC,CCCCCCCC,"InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3",C8D18,,,,,,TVMXDCGIABBOFY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.518,241-286-9,17253-11-1,"1,4-benzodioxan-6-ylacetic acid","2,3-dihydro-1,4-benzodioxin-6-ylacetic acid",OC(=O)Cc1ccc2OCCOc2c1,OC(=O)Cc1ccc2OCCOc2c1,"InChI=1/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)",C10H10O4,,,,,,BVRNERFWPQRVJB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.519,241-287-4,17253-36-0,"3-methoxyestra-1,3,5(10),6-tetraen-17-one","3-methoxyestra-1,3,5(10),6-tetraen-17-one",COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C=Cc2c1,COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C=Cc2c1,"InChI=1/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,15-17H,7-10H2,1-2H3",C19H22O2,,,,,,SIXKLAYWNMHDIQ-VXNCWWDNSA-N,,,,,,,,,,,
100.037.530,241-300-3,17265-14-4,Disodium sebacate,disodium sebacate,[Na+].[Na+].[O-]C(=O)CCCCCCCCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/C10H18O4.2Na/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;2*+1/p-2",C10H18O4.2Na,,,,,,NCXUIEDQTCQZRK-UHFFFAOYSA-L,,,,,,,,,,,
100.037.533,241-304-5,17268-47-2,"3-(dimethylamino)-N,N-dimethylpropionamide","N,N,N~3~,N~3~-tetramethyl-beta-alaninamide",CN(C)CCC(=O)N(C)C,CN(C)CCC(=O)N(C)C,"InChI=1/C7H16N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H2,1-4H3",C7H16N2O,,,,,,ZCJKJJQMCWSWGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.534,241-305-0,17269-94-2,p-tert-butylphenetole,1-tert-butyl-4-ethoxybenzene,CCOc1ccc(cc1)C(C)(C)C,CCOc1ccc(cc1)C(C)(C)C,"InChI=1/C12H18O/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h6-9H,5H2,1-4H3",C12H18O,,,,,,RMSGBIDKBWPHMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.711,235-998-9,13087-53-1,"1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate","3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1)",CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3",C11H9I3N2O4.C7H17NO5,,,,,,VLHUSFYMPUDOEL-WZTVWXICSA-N,,,,,,,,,,,
100.032.724,236-013-5,13095-73-3,4-mercaptobutyric acid,4-sulfanylbutanoic acid,OC(=O)CCCS,OC(=O)CCCS,"InChI=1/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)",C4H8O2S,,,,,,DTRIDVOOPAQEEL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.714,250-301-8,30697-40-6,2-acryloyloxyethyl hydrogen phthalate,2-{[2-(acryloyloxy)ethoxy]carbonyl}benzoic acid,OC(=O)c1ccccc1C(=O)OCCOC(=O)C=C,OC(=O)c1ccccc1C(=O)OCCOC(=O)C=C,"InChI=1/C13H12O6/c1-2-11(14)18-7-8-19-13(17)10-6-4-3-5-9(10)12(15)16/h2-6H,1,7-8H2,(H,15,16)",C13H12O6,,,,,,RKYJPYDJNQXILT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.716,250-303-9,30707-68-7,"5-[(2-chloro-5-nitrophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one","5-[(2-chloro-5-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,[O-][N+](=O)c1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,"InChI=1/C15H8Cl4N4O3/c16-7-3-10(18)15(11(19)4-7)22-14(24)6-13(21-22)20-12-5-8(23(25)26)1-2-9(12)17/h1-5H,6H2,(H,20,21)",C15H8Cl4N4O3,,,,,,KONNKNHQEUEYPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.682,245-866-2,23754-87-2,"Sodium O,O-dimethyl thiophosphate","sodium O,O-dimethyl thiophosphate",[Na+].COP(=O)([S-])OC,[Na+].COP(=O)([S-])OC,"InChI=1/C2H7O3PS.Na/c1-4-6(3,7)5-2;/h1-2H3,(H,3,7);/q;+1/p-1",C2H7O3PS.Na,,,,,,LWRYJFJUTLBKPU-UHFFFAOYSA-M,,,,,,,,,,,
100.041.686,245-870-4,23769-39-3,"(2a,4a,6a)-2,4,6-trimethyl-1,3,5-trithiane","2,4,6-trimethyl-1,3,5-trithiane",C[C@@H]1S[C@H](C)S[C@H](C)S1,C[C@@H]1S[C@H](C)S[C@H](C)S1,"InChI=1/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",C6H12S3,,,,,,XQVYLDFSPBXACS-FPFOFBBKSA-N,,,,,,,,,,,
100.041.694,245-879-3,23779-96-6,8-(trifluoromethyl)quinolin-4-ol,8-(trifluoromethyl)quinolin-4-ol,Oc1ccnc2c(cccc12)C(F)(F)F,Oc1ccnc2c(cccc12)C(F)(F)F,"InChI=1/C10H6F3NO/c11-10(12,13)7-3-1-2-6-8(15)4-5-14-9(6)7/h1-5H,(H,14,15)",C10H6F3NO,,,,,,UDRWADJLLWWJOE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.708,245-895-0,23807-28-5,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC#N)CCO)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC#N)CCO)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H20ClN7O7/c1-12(30)23-15-10-17(26(6-7-29)5-3-4-22)19(35-2)11-16(15)24-25-20-14(21)8-13(27(31)32)9-18(20)28(33)34/h8-11,29H,3,5-7H2,1-2H3,(H,23,30)",C20H20ClN7O7,,,,,,WECQKZZOBBSHPK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.719,245-906-9,23843-88-1,"4-(4-aminophenoxy)benzene-1,3-diamine","4-(4-aminophenoxy)benzene-1,3-diamine",Nc1ccc(Oc2ccc(N)cc2N)cc1,Nc1ccc(Oc2ccc(N)cc2N)cc1,"InChI=1/C12H13N3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,13-15H2",C12H13N3O,,,,,,MCFXXLUSGLPRSU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.721,245-909-5,23844-98-6,"1,1a,2,5,6,6a,7,7a-octahydro-1,1,6,6a-tetramethyl-4H-cyclopropa[b]naphthalen-4-one","1,1,6,6a-tetramethyl-1,1a,2,5,6,6a,7,7a-octahydro-4H-cyclopropa[b]naphthalen-4-one",CC1CC(=O)C=C2CC3C(CC12C)C3(C)C,CC1CC(=O)C=C2CC3C(CC12C)C3(C)C,"InChI=1/C15H22O/c1-9-5-11(16)6-10-7-12-13(14(12,2)3)8-15(9,10)4/h6,9,12-13H,5,7-8H2,1-4H3",C15H22O,,,,,,LVQVBJGXSHXFKV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.349,245-500-1,23220-52-2,Erythro-3-aminoaspartic acid,3-aminoaspartic acid,NC(C(N)C(=O)O)C(=O)O,NC(C(N)C(=O)O)C(=O)O,"InChI=1/C4H8N2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,5-6H2,(H,7,8)(H,9,10)",C4H8N2O4,,,,,,PGNYNCTUBKSHHL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.350,245-501-7,23221-95-6,4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazine-1-ethanol hydrochloride,2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol hydrochloride,Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C21H26ClN3OS.ClH/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;/h1-2,4-7,16,26H,3,8-15H2;1H",C21H26ClN3OS.xClH,,,,,,ONDBZOZCVLIFKD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.354,245-505-9,23233-88-7,Brotianide,2-bromo-6-[(4-bromophenyl)carbamothioyl]-4-chlorophenyl acetate,CC(=O)Oc1c(Br)cc(Cl)cc1C(=S)Nc2ccc(Br)cc2,CC(=O)Oc1c(Br)cc(Cl)cc1C(=S)Nc2ccc(Br)cc2,"InChI=1/C15H10Br2ClNO2S/c1-8(20)21-14-12(6-10(18)7-13(14)17)15(22)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,22)",C15H10Br2ClNO2S,,,,,,NRFGEDASJHBPPN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.358,245-510-6,23236-18-2,5-[(3-ethylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{5-[2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",O=C(O)CN3C(=O)C(=CC=C1Oc2ccccc2N1CC)SC3=S,O=C(O)CN3C(=O)C(=CC=C1Oc2ccccc2N1CC)SC3=S,"InChI=1/C16H14N2O4S2/c1-2-17-10-5-3-4-6-11(10)22-13(17)8-7-12-15(21)18(9-14(19)20)16(23)24-12/h3-8H,2,9H2,1H3,(H,19,20)",C16H14N2O4S2,,,,,,QWFJNAHLMKUKHA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.360,245-512-7,23238-40-6,2-(decyloxy)ethanol,2-(decyloxy)ethanol,CCCCCCCCCCOCCO,CCCCCCCCCCOCCO,"InChI=1/C12H26O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h13H,2-12H2,1H3",C12H26O2,,,,,,CBVDPTYIDMQDEO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.363,245-515-3,23239-68-1,Calcium dibenzyl diphthalate,calcium bis{2-[(benzyloxy)carbonyl]benzoate},O=C(OCc1ccccc1)c2ccccc2C(=O)O[Ca]OC(=O)c3ccccc3C(=O)OCc4ccccc4,O=C(OCc1ccccc1)c2ccccc2C(=O)O[Ca]OC(=O)c3ccccc3C(=O)OCc4ccccc4,"InChI=1/2C15H12O4.Ca/c2*16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;/h2*1-9H,10H2,(H,16,17);/q;;+2/p-2",C15H12O4.1/2Ca,,,,,,IJQRJDMNTRRHKB-UHFFFAOYSA-L,,,,,,,,,,,
100.037.588,241-364-2,17342-21-1,1-dodecylpyridinium hydrogen sulphate,1-dodecylpyridinium hydrogen sulfate,CCCCCCCCCCCC[n+]1ccccc1.[O-]S(=O)(=O)[O-],CCCCCCCCCCCC[n+]1ccccc1.[O-]S(=O)(=O)[O-],"InChI=1/C17H30N.H2O4S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-5(2,3)4/h11,13-14,16-17H,2-10,12,15H2,1H3;(H2,1,2,3,4)/q+1;/p-2",C17H30N.HO4S,,,,,,IQDVXXOBJULTFE-UHFFFAOYSA-L,,,,,,,,,,,
100.037.590,241-366-3,17344-01-3,4-(1-cycloocten-1-yl)morpholine,4-cyclooct-1-en-1-ylmorpholine,C1CCCC(=CCC1)N2CCOCC2,C1CCCC(=CCC1)N2CCOCC2,"InChI=1/C12H21NO/c1-2-4-6-12(7-5-3-1)13-8-10-14-11-9-13/h6H,1-5,7-11H2",C12H21NO,,,,,,GIOZEASIFJZSBE-WUXMJOGZSA-N,,,,,,,,,,,
100.037.593,241-370-5,17345-77-6,4-bromopyrocatechol,"4-bromobenzene-1,2-diol",Oc1ccc(Br)cc1O,Oc1ccc(Br)cc1O,"InChI=1/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H",C6H5BrO2,,,,,,AQVKHRQMAUJBBP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.600,241-377-3,17353-03-6,"7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one","3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside",CC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc(O)c4C(=O)C(=C(Oc4c3)c5ccc(O)cc5)O)C(O)C(O)C1O,CC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc(O)c4C(=O)C(=C(Oc4c3)c5ccc(O)cc5)O)C(O)C(O)C1O,"InChI=1/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3",C27H30O15,,,,,,ZEJXENDZTYVXDP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.605,241-383-6,17355-23-6,N-acetyl-L-tyrosyl acetate,acetyl N-acetyltyrosinate,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(=O)C,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(=O)C,"InChI=1/C13H15NO5/c1-8(15)14-12(13(18)19-9(2)16)7-10-3-5-11(17)6-4-10/h3-6,12,17H,7H2,1-2H3,(H,14,15)",C13H15NO5,,,,,,QFNMSDIRMFONHR-LBPRGKRZSA-N,,,,,,,,,,,
100.037.609,241-387-8,17357-14-1,5-bromo-1H-indol-3-yl acetate,5-bromo-1H-indol-3-yl acetate,CC(=O)Oc1c[nH]c2ccc(Br)cc12,CC(=O)Oc1c[nH]c2ccc(Br)cc12,"InChI=1/C10H8BrNO2/c1-6(13)14-10-5-12-9-3-2-7(11)4-8(9)10/h2-5,12H,1H3",C10H8BrNO2,,,,,,KFTGECHXNQBTNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.613,241-392-5,17362-05-9,1-amino-4-(cyclohexylamino)-2-[(2-hydroxyethyl)thio]anthraquinone,"1-amino-4-(cyclohexylamino)-2-[(2-hydroxyethyl)sulfanyl]-9,10-anthraquinone",Nc1c(SCCO)cc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13,Nc1c(SCCO)cc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H24N2O3S/c23-20-17(28-11-10-25)12-16(24-13-6-2-1-3-7-13)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h4-5,8-9,12-13,24-25H,1-3,6-7,10-11,23H2",C22H24N2O3S,,,,,,CBPYVXPFDNCXPY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.619,241-398-8,17364-44-2,Monosodium N2-[(benzyloxy)carbonyl]-L-argininate,sodium 2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanoate,[Na+].NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-],[Na+].NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-],"InChI=1/C14H20N4O4.Na/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17);/q;+1/p-1",C14H20N4O4.Na,,,,,,DHDSGWPJSDPUKI-MERQFXBCSA-M,,,,,,,,,,,
100.034.315,237-762-0,13978-85-3,"Bis(quinolin-8-olato-N1,O8)zinc",zinc diquinolin-8-olate,O([Zn]Oc1cccc2cccnc12)c3cccc4cccnc34,O([Zn]Oc1cccc2cccnc12)c3cccc4cccnc34,"InChI=1/2C9H7NO.Zn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2",C18H12N2O2Zn,,,,,,HTPBWAPZAJWXKY-UHFFFAOYSA-L,,,,,,,,,,,
100.034.317,237-764-1,13979-94-7,"2,4,6,8-tetranitro-2,4,6,8-tetraazanonane-1,9-diyl dinitrate","2,4,6,8-tetranitro-2,4,6,8-tetraazanonane-1,9-diyl dinitrate",[O-][N+](=O)OCN(CN(CN(CN(CO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)OCN(CN(CN(CN(CO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1/C5H10N10O14/c16-10(17)6(2-8(12(20)21)4-28-14(24)25)1-7(11(18)19)3-9(13(22)23)5-29-15(26)27/h1-5H2,C5H10N10O14,,,,,,JIFNBGMOBAYSNR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.321,237-768-3,13980-33-1,"(R*,S*)-10-acetoxy-9-hydroxyoctadecanoic acid",10-acetoxy-9-hydroxyoctadecanoic acid,CCCCCCCCC(OC(=O)C)C(O)CCCCCCCC(=O)O,CCCCCCCCC(OC(=O)C)C(O)CCCCCCCC(=O)O,"InChI=1/C20H38O5/c1-3-4-5-6-9-12-15-19(25-17(2)21)18(22)14-11-8-7-10-13-16-20(23)24/h18-19,22H,3-16H2,1-2H3,(H,23,24)",C20H38O5,,,,,,HLAIKHVEJBSLQS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.327,237-775-1,13984-50-4,Methyl 5-oxohexanoate,methyl 5-oxohexanoate,COC(=O)CCCC(=O)C,COC(=O)CCCC(=O)C,"InChI=1/C7H12O3/c1-6(8)4-3-5-7(9)10-2/h3-5H2,1-2H3",C7H12O3,,,,,,AVVPOKSKJSJVIX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.342,237-791-9,13991-37-2,(E)-pent-2-en-1-oic acid,pent-2-enoic acid,CC\\C=C\\C(=O)O,CC\C=C\C(=O)O,"InChI=1/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)",C5H8O2,,,,,,YIYBQIKDCADOSF-ONEGZZNKSA-N,,,,,,,,,,,
100.034.343,237-792-4,13991-90-7,Copper acrylate,copper(1+) acrylate,[Cu].C=CC(O)=O,[Cu].C=CC(O)=O,"InChI=1/C3H4O2.Cu/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1",C3H4O2.xCu,,,,,,KOBKUSXTVUSJEU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.346,237-796-6,13997-19-8,Nequinate,"methyl 7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate",CCCCc1cc2C(=O)C(=CNc2cc1OCc3ccccc3)C(=O)OC,CCCCc1cc2C(=O)C(=CNc2cc1OCc3ccccc3)C(=O)OC,"InChI=1/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)",C22H23NO4,,,,,,NNOPDLNHPOLRRE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.216,239-854-6,15763-76-5,Sodium p-cumenesulphonate,sodium 4-isopropylbenzenesulfonate,[Na+].CC(C)c1ccc(cc1)S(=O)(=O)[O-],[Na+].CC(C)c1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1",C9H12O3S.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16108,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.216,QEKATQBVVAZOAY-UHFFFAOYSA-M,,,,,,,,,,,
100.036.217,239-855-1,15764-04-2,"(4R-cis)-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)naphthalen-2(3H)-one","6-isopropylidene-4,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",C[C@@H]1CC(=O)C=C2CCC(=C(C)C)C[C@@]12C,C[C@@H]1CC(=O)C=C2CCC(=C(C)C)C[C@@]12C,"InChI=1/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3",C15H22O,,,,,,NIIPDXITZPFFTE-ABAIWWIYSA-N,,,,,,,,,,,
100.036.219,239-857-2,15766-66-2,4-methyl-<U+03B3>-methylenecyclohex-3-ene-1-propan-1-ol,3-(4-methylcyclohex-3-en-1-yl)but-3-en-1-ol,CC1=CCC(CC1)C(=C)CCO,CC1=CCC(CC1)C(=C)CCO,"InChI=1/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,11-12H,2,4-8H2,1H3",C11H18O,,,,,,KGQKYMFFMFUSOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.441,235-699-3,12550-17-3,Sodium [D-gluconato(4-)]antimonate(1-),"sodium 2,3-dihydroxy-3-(2,6,7-trioxa-1-stibabicyclo[2.2.1]hept-3-yl)propanoate",OC(C(O)C(=O)O[Na])C1O[Sb]2OCC1O2,OC(C(O)C(=O)O[Na])C1O[Sb]2OCC1O2,"InChI=1/C6H9O7.Na.Sb/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,10-11H,1H2,(H,12,13);;/q-3;+1;+3/p-1/rC6H9O7Sb.Na/c7-3(4(8)6(9)10)5-2-1-11-14(12-2)13-5;/h2-5,7-8H,1H2,(H,9,10);/q;+1/p-1",C6H8O7Sb.Na,,,,,,XKBBLUJJWNGYIB-UHFFFAOYSA-M,,,,,,,,,,,
100.035.847,239-448-9,15435-71-9,"Pentane-2,4-dione, monosodium salt",-,[Na+].CC(=O)CC(=O)C,[Na+].CC(=O)CC(=O)C,"InChI=1/C5H8O2.Na/c1-4(6)3-5(2)7;/h3H2,1-2H3;/q;+1",C5H7O2.Na,,,,,,HJPYUCNTBLYDBP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.851,239-453-6,15441-87-9,"3-(2,5-dichlorophenyl)-1,1-dimethylurea","3-(2,5-dichlorophenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1cc(Cl)ccc1Cl,CN(C)C(=O)Nc1cc(Cl)ccc1Cl,"InChI=1/C9H10Cl2N2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14)",C9H10Cl2N2O,,,,,,DOVGZPJULHERQI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.855,239-457-8,15443-52-4,N-isobutylcyclohexylamine,N-isobutylcyclohexanamine,CC(C)CNC1CCCCC1,CC(C)CNC1CCCCC1,"InChI=1/C10H21N/c1-9(2)8-11-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",C10H21N,,,,,,ARHUUPGCYHESJV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.861,239-464-6,15446-39-6,"N,N'-(azodi-4,1-phenylene)bisacetamide","N,N'-(diazene-1,2-diyldi-4,1-phenylene)diacetamide",CC(=O)Nc1ccc(cc1)N=Nc2ccc(NC(=O)C)cc2,CC(=O)Nc1ccc(cc1)N=Nc2ccc(NC(=O)C)cc2,"InChI=1/C16H16N4O2/c1-11(21)17-13-3-7-15(8-4-13)19-20-16-9-5-14(6-10-16)18-12(2)22/h3-10H,1-2H3,(H,17,21)(H,18,22)",C16H16N4O2,,,,,,JLFZFBSUNFGETA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.866,239-469-3,15453-08-4,"4,5-epoxy-1,1,2,3,3,4,5,5-octafluoropent-1-ene","2,2,3-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-en-1-yl)oxirane",FC(=C(F)C(F)(F)C1(F)OC1(F)F)F,FC(=C(F)C(F)(F)C1(F)OC1(F)F)F,"InChI=1/C5F8O/c6-1(2(7)8)3(9,10)4(11)5(12,13)14-4",C5F8O,,,,,,ZHOFEJCLMUIOIW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.867,239-470-9,15453-10-8,"Trifluoro(1,1,2,2,3,4,4-heptafluorobut-3-enyl)oxirane","2,2,3-trifluoro-3-(1,1,2,2,3,4,4-heptafluorobut-3-en-1-yl)oxirane",FC(=C(F)C(F)(F)C(F)(F)C1(F)OC1(F)F)F,FC(=C(F)C(F)(F)C(F)(F)C1(F)OC1(F)F)F,"InChI=1/C6F10O/c7-1(2(8)9)3(10,11)4(12,13)5(14)6(15,16)17-5",C6F10O,,,,,,NYAGRQZHLFYEOA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.378,242-232-7,18360-63-9,Ethylidene 2-butenoate,"ethane-1,2-diyl bisbut-2-enoate",CC=CC(=O)OCCOC(=O)C=CC,CC=CC(=O)OCCOC(=O)C=CC,"InChI=1/C10H14O4/c1-3-5-9(11)13-7-8-14-10(12)6-4-2/h3-6H,7-8H2,1-2H3",C10H14O4,,,,,,APJRQJNSYFWQJD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.380,242-234-8,18362-64-6,"2,6-dimethylheptane-3,5-dione","2,6-dimethylheptane-3,5-dione",CC(C)C(=O)CC(=O)C(C)C,CC(C)C(=O)CC(=O)C(C)C,"InChI=1/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3",C9H16O2,,,,,,CEGGECULKVTYMM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.383,242-237-4,18365-42-9,a-chlorocinnamaldehyde,2-chloro-3-phenylacrylaldehyde,Cl\\C(=C/c1ccccc1)\\C=O,Cl\C(=C/c1ccccc1)\C=O,InChI=1/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H,C9H7ClO,,,,,,SARRRAKOHPKFBW-TWGQIWQCSA-N,,,,,,,,,,,
100.038.385,242-240-0,18367-70-9,"[1S-(1a,3aß,4a,8aß,9S*)]-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methyl acetate","(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl)methyl acetate",CC(=O)OCC1C2CCC3C2C(C)(C)CCCC13C,CC(=O)OCC1C2CCC3C2C(C)(C)CCCC13C,"InChI=1/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3",C17H28O2,,,,,,FWCPQBUXTSVEIC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.390,242-245-8,18370-59-7,"Bis(4-fluoro-4,4-dinitrobutyryl) peroxide","bis(3-fluoro-3,3-dinitropropyl)peroxyanhydride",[O-][N+](=O)C(F)(CCC(=O)OOC(=O)CCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C(F)(CCC(=O)OOC(=O)CCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8F2N4O12/c9-7(11(17)18,12(19)20)3-1-5(15)25-26-6(16)2-4-8(10,13(21)22)14(23)24/h1-4H2",C8H8F2N4O12,,,,,,GPQSXSSHVILAPU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.725,236-014-0,13096-46-3,"1,1'-bis(phenylmethyl)-4,4'-bipyridinium","1,1'-dibenzyl-4,4'-bipyridinium",C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3,C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3,"InChI=1/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2",C24H22N2,,,,,,LUAZZOXZPVVGSO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.728,236-017-7,13099-35-9,17-bromoheptadecanoic acid,17-bromoheptadecanoic acid,OC(=O)CCCCCCCCCCCCCCCCBr,OC(=O)CCCCCCCCCCCCCCCCBr,"InChI=1/C17H33BrO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)",C17H33BrO2,,,,,,GABSTWMSOFZKEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.732,236-021-9,13102-32-4,"1,1,4,4-tetramethyltetramethylene peroxypivalate","2,5-dimethylhexane-2,5-diyl bis(2,2-dimethylpropaneperoxoate)",CC(C)(C)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(C)(C)C,CC(C)(C)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(C)(C)C,"InChI=1/C18H34O6/c1-15(2,3)13(19)21-23-17(7,8)11-12-18(9,10)24-22-14(20)16(4,5)6/h11-12H2,1-10H3",C18H34O6,,,,,,AUZOWNCZAHHZQB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.737,236-027-1,13103-80-5,3'-hydroxypropiophenone,1-(3-hydroxyphenyl)propan-1-one,CCC(=O)c1cccc(O)c1,CCC(=O)c1cccc(O)c1,"InChI=1/C9H10O2/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3",C9H10O2,,,,,,YXOGDBMOFMQLEU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.747,236-038-1,13114-62-0,2-naphthylurea,1-(2-naphthyl)urea,NC(=O)Nc1ccc2ccccc2c1,NC(=O)Nc1ccc2ccccc2c1,"InChI=1/C11H10N2O/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14)",C11H10N2O,,,,,,MRSYBIDUQWAWBO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.748,236-039-7,13114-72-2,"3-methyl-1,1-diphenylurea","3-methyl-1,1-diphenylurea",CNC(=O)N(c1ccccc1)c2ccccc2,CNC(=O)N(c1ccccc1)c2ccccc2,"InChI=1/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)",C14H14N2O,,,,,,IMFYAZJNDOZIFV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.255,237-696-2,13927-77-0,Nickel bis(dibutyldithiocarbamate),nickel(2+) bis(dibutyldithiocarbamate),[Ni+2].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-],[Ni+2].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-],"InChI=1/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2",C18H36N2NiS4,,,,,,HPOWMHUJHHIQGP-UHFFFAOYSA-L,,,,,,,,,,,
100.036.115,239-743-2,15667-63-7,1-cyanoallyl acetate,1-cyanoprop-2-en-1-yl acetate,CC(=O)OC(C=C)C#N,CC(=O)OC(C=C)C#N,"InChI=1/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3,6H,1H2,2H3",C6H7NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10310,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.115,MEHLEOUIWVWVBF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.123,239-752-1,15675-97-5,Sodium bis[(3-chloro-2-hydroxy-5-nonylphenyl)methanolato(2-)]borate(1-),"sodium 2-chloro-6-{[(8-chloro-6-nonyl-4H-1,3,2-benzodioxaborinin-2-yl)oxy]methyl}-4-nonylphenolate",CCCCCCCCCc1cc(Cl)c(O[Na])c(COB2OCc3cc(CCCCCCCCC)cc(Cl)c3O2)c1,CCCCCCCCCc1cc(Cl)c(O[Na])c(COB2OCc3cc(CCCCCCCCC)cc(Cl)c3O2)c1,"InChI=1/C32H47BCl2O4.Na/c1-3-5-7-9-11-13-15-17-25-19-27(31(36)29(34)21-25)23-37-33-38-24-28-20-26(22-30(35)32(28)39-33)18-16-14-12-10-8-6-4-2;/h19-22,36H,3-18,23-24H2,1-2H3;/q;+1/p-1",C32H46BCl2O4.Na,,,,,,AZPZEZCXRXNQMG-UHFFFAOYSA-M,,,,,,,,,,,
100.037.625,241-404-9,17369-61-8,"5-ethyl-3,4,5,6-tetramethylcyclohexen-2-one","4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one",CCC1(C)C(C)C(C)C(=O)C=C1C,CCC1(C)C(C)C(C)C(=O)C=C1C,"InChI=1/C12H20O/c1-6-12(5)8(2)7-11(13)9(3)10(12)4/h7,9-10H,6H2,1-5H3",C12H20O,,,,,,PZGAZDYGGFIIGE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.626,241-405-4,17369-89-0,"Tris(2-hydroxyethyl)ammonium 2-(2,4,5-trichlorophenoxy)propionate","2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 2-(2,4,5-trichlorophenoxy)propanoate",CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-].OCC[NH+](CCO)CCO,CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C9H7Cl3O3.C6H15NO3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;8-4-1-7(2-5-9)3-6-10/h2-4H,1H3,(H,13,14);8-10H,1-6H2",C9H7Cl3O3.C6H15NO3,,,,,,IANQCWWLVIJHNX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.632,241-412-2,17373-93-2,o-methylbenzyl acetate,2-methylbenzyl acetate,CC(=O)OCc1ccccc1C,CC(=O)OCc1ccccc1C,"InChI=1/C10H12O2/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-6H,7H2,1-2H3",C10H12O2,,,,,,BKKDUUVBVHYZFA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.633,241-413-8,17375-29-0,Manganese benzoate,manganese(2+) dibenzoate,[Mn].OC(=O)C\\1=C\\C=C/C=C/1,[Mn].OC(=O)C\1=C\C=C/C=C/1,"InChI=1/C7H6O2.Mn/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+2",C7H6O2.xMn,,,,,,KOTXAPRLKRSDAF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.637,241-418-5,17389-14-9,3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]benzothiazolium bromide,"3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium bromide",[Br-].CC[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2CC,[Br-].CC[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2CC,"InChI=1/C21H21N2S2.BrH/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C21H21N2S2.Br,,,,,,XMMSIZBVTLPHSO-UHFFFAOYSA-M,,,,,,,,,,,
100.037.639,241-420-6,17392-83-5,Methyl (R)-lactate,methyl 2-hydroxypropanoate,COC(=O)[C@@H](C)O,COC(=O)[C@@H](C)O,"InChI=1/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3",C4H8O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5610,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.639,LPEKGGXMPWTOCB-GSVOUGTGSA-N,,,,,,,,,,,
100.037.645,241-426-9,17404-44-3,o-(1-ethylhexyl)phenol,2-(1-ethylhexyl)phenol,CCCCCC(CC)c1ccccc1O,CCCCCC(CC)c1ccccc1O,"InChI=1/C14H22O/c1-3-5-6-9-12(4-2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3",C14H22O,,,,,,WBQRXJLVMAWCMN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.368,245-521-6,23250-03-5,(2-hydroxyethyl)triphenylphosphonium chloride,(2-hydroxyethyl)(triphenyl)phosphonium chloride,[Cl-].OCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].OCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H20OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1",C20H20OP.Cl,,,,,,NOEABYSOSUWXKG-UHFFFAOYSA-M,,,,,,,,,,,
100.041.371,245-524-2,23251-72-1,Bis(2-hydroxyethyl)ammonium acetate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium acetate,CC(=O)[O-].OCC[NH2+]CCO,CC(=O)[O-].OCC[NH2+]CCO,"InChI=1/C4H11NO2.C2H4O2/c6-3-1-5-2-4-7;1-2(3)4/h5-7H,1-4H2;1H3,(H,3,4)",C4H11NO2.C2H4O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11810,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.371,IDOGARCPIAAWMC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.003,247-319-3,25896-97-3,"Octahydro-4,7-methano-1H-indenedicarbaldehyde","octahydro-1H-4,7-methanoindene-1,1-dicarbaldehyde",O=CC1(CCC2C3CCC(C3)C12)C=O,O=CC1(CCC2C3CCC(C3)C12)C=O,"InChI=1/C12H16O2/c13-6-12(7-14)4-3-10-8-1-2-9(5-8)11(10)12/h6-11H,1-5H2",C12H16O2,,,,,,WSRVTLYNXTWYRE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.004,247-320-9,25897-00-1,"N-(phenyloctadecyl)propane-1,3-diamine","N-(1-phenyloctadecyl)propane-1,3-diamine",CCCCCCCCCCCCCCCCCC(NCCCN)c1ccccc1,CCCCCCCCCCCCCCCCCC(NCCCN)c1ccccc1,"InChI=1/C27H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-27(29-25-20-24-28)26-21-17-16-18-22-26/h16-18,21-22,27,29H,2-15,19-20,23-25,28H2,1H3",C27H50N2,,,,,,FUCZREUQYRGXIY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.012,247-329-8,25905-77-5,Minaprine,4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine,Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3,Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3,"InChI=1/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)",C17H22N4O,,,,,,LDMWSLGGVTVJPG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.226,250-865-5,31915-71-6,(+)-N-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]acetamide,N-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]acetamide,COc1cc(CC(C)(NC(=O)C)C#N)ccc1O,COc1cc(CC(C)(NC(=O)C)C#N)ccc1O,"InChI=1/C13H16N2O3/c1-9(16)15-13(2,8-14)7-10-4-5-11(17)12(6-10)18-3/h4-6,17H,7H2,1-3H3,(H,15,16)",C13H16N2O3,,,,,,LWNXUHPNXYVCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.234,250-873-9,31962-32-0,"[(4,6-diamino-1,3,5-triazin-2-yl)imino]bismethanol","[(4,6-diamino-1,3,5-triazin-2-yl)imino]dimethanol",Nc1nc(N)nc(n1)N(CO)CO,Nc1nc(N)nc(n1)N(CO)CO,"InChI=1/C5H10N6O2/c6-3-8-4(7)10-5(9-3)11(1-12)2-13/h12-13H,1-2H2,(H4,6,7,8,9,10)",C5H10N6O2,,,,,,LTHDXRBQYLHLTE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.238,250-878-6,31977-95-4,2-amino-2-(hydroxymethyl)butyl stearate,2-amino-2-(hydroxymethyl)butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(N)(CC)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(N)(CC)CO,"InChI=1/C23H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)27-21-23(24,4-2)20-25/h25H,3-21,24H2,1-2H3",C23H47NO3,,,,,,KHYKTXHJBKSIRI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.244,250-884-9,31983-42-3,Diheptyl maleate,diheptyl but-2-enedioate,CCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCC,CCCCCCCOC(=O)\C=C/C(=O)OCCCCCCC,"InChI=1/C18H32O4/c1-3-5-7-9-11-15-21-17(19)13-14-18(20)22-16-12-10-8-6-4-2/h13-14H,3-12,15-16H2,1-2H3",C18H32O4,,,,,,KUUZQLFCCOGXKQ-YPKPFQOOSA-N,,,,,,,,,,,
100.046.245,250-885-4,31994-53-3,"4-[4-[2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1-methylethylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N2/N=C(/C)C(C2=O)=C(C)C=C4Sc3ccccc3N4CC,OS(=O)(=O)c1ccc(cc1)N2/N=C(/C)C(C2=O)=C(C)C=C4Sc3ccccc3N4CC,"InChI=1/C22H21N3O4S2/c1-4-24-18-7-5-6-8-19(18)30-20(24)13-14(2)21-15(3)23-25(22(21)26)16-9-11-17(12-10-16)31(27,28)29/h5-13H,4H2,1-3H3,(H,27,28,29)",C22H21N3O4S2,,,,,,BGUFNHOQYFNSKN-UHFFFAOYSA-N,,,,,,,,,,,
100.040.135,244-165-9,21040-59-5,"(S)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methylisoquinolin-7-ol","1-(3,4-dimethoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol",COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1OC,COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1OC,"InChI=1/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3",C20H25NO4,,,,,,OKORHWXYDBSYNO-INIZCTEOSA-N,,,,,,,,,,,
100.045.721,250-309-1,30727-09-4,"Tetrahydrofurfuryl-N,N-dimethylamine","N,N-dimethyl-1-(tetrahydrofuran-2-yl)methanamine",CN(C)CC1CCCO1,CN(C)CC1CCCO1,"InChI=1/C7H15NO/c1-8(2)6-7-4-3-5-9-7/h7H,3-6H2,1-2H3",C7H15NO,,,,,,JKAJLDZOBJSTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.729,250-318-0,30738-49-9,Bis(4-bromophenyl)glycolic acid,bis(4-bromophenyl)(hydroxy)acetic acid,OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2,OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2,"InChI=1/C14H10Br2O3/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H,17,18)",C14H10Br2O3,,,,,,LHCOZCRYTQNSBL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.734,250-323-8,30746-54-4,2-methyl-5-nitro-1H-imidazole-1-ethyl methanesulphonate,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl methanesulfonate,Cc1ncc(N(=O)=O)n1CCOS(=O)(=O)C,Cc1ncc(N(=O)=O)n1CCOS(=O)(=O)C,"InChI=1/C7H11N3O5S/c1-6-8-5-7(10(11)12)9(6)3-4-15-16(2,13)14/h5H,3-4H2,1-2H3",C7H11N3O5S,,,,,,MBLJZGSJLSUHRO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.349,237-799-2,13998-73-7,"N,N'-(iminodipropane-1,3-diyl)distearamide","N,N'-(iminodipropane-3,1-diyl)dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H85N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41(46)44-39-33-37-43-38-34-40-45-42(47)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-40H2,1-2H3,(H,44,46)(H,45,47)",C42H85N3O2,,,,,,VVCMLFGVBUXGEC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.352,237-802-7,13999-39-8,"4,5-dimethylisoxazol-3-amine","4,5-dimethylisoxazol-3-amine",Cc1onc(N)c1C,Cc1onc(N)c1C,"InChI=1/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)",C5H8N2O,,,,,,VPANVNSDJSUFEF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.713,241-501-6,17488-65-2,4-phenyl-3-buten-2-ol,4-phenylbut-3-en-2-ol,CC(O)C=Cc1ccccc1,CC(O)C=Cc1ccccc1,"InChI=1/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3",C10H12O,,,,,,ZIJWGEHOVHJHKB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.715,241-503-7,17496-08-1,Ammonium propionate,ammonium propionate,[NH4+].CCC(=O)[O-],[NH4+].CCC(=O)[O-],"InChI=1/C3H6O2.H3N/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H3",C3H6O2.H3N,,,,,,XJMWHXZUIGHOBA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.717,241-505-8,17498-50-9,L-valine hydrochloride,L-valine hydrochloride,Cl.CC(C)[C@H](N)C(=O)O,Cl.CC(C)[C@H](N)C(=O)O,"InChI=1/C5H11NO2.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H,7,8);1H",C5H11NO2.ClH,,,,,,JETBVOLWZWPMKR-WCCKRBBISA-N,,,,,,,,,,,
100.037.727,241-516-8,17517-01-0,"N,N-dimethyl-3-(octadecyloxy)propylamine","N,N-dimethyl-3-(octadecyloxy)propan-1-amine",CCCCCCCCCCCCCCCCCCOCCCN(C)C,CCCCCCCCCCCCCCCCCCOCCCN(C)C,"InChI=1/C23H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24(2)3/h4-23H2,1-3H3",C23H49NO,,,,,,BHQZSXXOSYWJSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.879,236-183-0,13213-88-2,"1,4-dihydro-2H-3,1-benzoxazin-2-one","1,4-dihydro-2H-3,1-benzoxazin-2-one",O=C1Nc2ccccc2CO1,O=C1Nc2ccccc2CO1,"InChI=1/C8H7NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H,9,10)",C8H7NO2,,,,,,SYZIUAAQNFJPJY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.880,236-184-6,13214-29-4,"1,1-dimethoxy-3-(methylthio)propane","1,1-dimethoxy-3-(methylsulfanyl)propane",COC(CCSC)OC,COC(CCSC)OC,"InChI=1/C6H14O2S/c1-7-6(8-2)4-5-9-3/h6H,4-5H2,1-3H3",C6H14O2S,,,,,,BNYOSIKNPOOYIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.973,237-386-7,13769-20-5,Europium dichloride,europium(2+) dichloride,[Cl-].[Cl-].[Eu+2],[Cl-].[Cl-].[Eu+2],InChI=1/2ClH.Eu/h2*1H;/q;;+2/p-2,Cl2Eu,,,,,,BMANZYKPCBPZFG-UHFFFAOYSA-L,,,,,,,,,,,
100.033.979,237-393-5,13770-61-1,Indium trinitrate,indium trinitrate,[In+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[In+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/In.3NO3/c;3*2-1(3)4/q+3;3*-1,HNO3.1/3In,,,,,,LKRFCKCBYVZXTC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.983,237-397-7,13770-90-6,Zinc disulphamate,zinc disulfamate,[Zn+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Zn+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/2H3NO3S.Zn/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2",H3NO3S.1/2Zn,,,,,,YDJJYISOOCYHQU-UHFFFAOYSA-L,,,,,,,,,,,
100.033.984,237-398-2,13770-91-7,Magnesium disulphamate,magnesium disulfamate,[Mg+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Mg+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Mg.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",H3NO3S.1/2Mg,,,,,,YZVJHCGMTYDKFR-UHFFFAOYSA-L,,,,,,,,,,,
100.033.986,237-400-1,13770-96-2,Sodium tetrahydridoaluminate,sodium tetrahydridoaluminate(1-),[Na+].[AlH4-],[Na+].[AlH4-],InChI=1/Al.Na.4H/q+3;+1;;;;/rAlH4.Na/h1H4;/q+3;+1,AlH4.Na,,,,,,MNYCIYRTKITUKR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.989,237-403-8,13774-25-9,Magnesium dihydrogen disulphite,magnesium dihydrogen disulfite,[Mg+2].[O-]S(=O)[O-].[O-]S(=O)[O-],[Mg+2].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/Mg.2H2O3S/c;2*1-4(2)3/h;2*(H2,1,2,3)/q+2;;/p-4",H2O3S.1/2Mg,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11926,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.989,LPHFLPKXBKBHRW-UHFFFAOYSA-J,,,,,,,,,,,
100.035.503,239-069-9,14985-19-4,Thulium trinitrate,thulium trinitrate,[Tm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Tm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Tm/c3*2-1(3)4;/q3*-1;+3,HNO3.1/3Tm,,,,,,LLZBVBSJCNUKLL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.508,239-075-1,14986-91-5,Magnesium selenate,magnesium selenate,[Mg+2].[O-][Se](=O)(=O)[O-],[Mg+2].[O-][Se](=O)(=O)[O-],"InChI=1/Mg.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",H2O4Se.Mg,,,,,,VWCLCSQRZVBEJD-UHFFFAOYSA-L,,,,,,,,,,,
100.035.514,239-081-4,14995-40-5,Disodium 2-sulphonatobenzoate,disodium 2-sulfonatobenzoate,[Na+].[Na+].[O-]C(=O)c1ccccc1S(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)c1ccccc1S(=O)(=O)[O-],"InChI=1/C7H6O5S.2Na/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;;/h1-4H,(H,8,9)(H,10,11,12);;/q;2*+1/p-2",C7H6O5S.2Na,,,,,,VOEPTFQRRFBSMP-UHFFFAOYSA-L,,,,,,,,,,,
100.038.392,242-247-9,18371-33-0,"3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-3H-benzothiazol-2-ylidene]penta-1,3-dienyl]benzothiazolium bromide","3-(2-hydroxyethyl)-2-{5-[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]penta-1,3-dien-1-yl}-1,3-benzothiazol-3-ium bromide",[Br-].OCC[n+]3c4ccccc4sc3C=CC=CC=C2Sc1ccccc1N2CCO,[Br-].OCC[n+]3c4ccccc4sc3C=CC=CC=C2Sc1ccccc1N2CCO,"InChI=1/C23H23N2O2S2.BrH/c26-16-14-24-18-8-4-6-10-20(18)28-22(24)12-2-1-3-13-23-25(15-17-27)19-9-5-7-11-21(19)29-23;/h1-13,26-27H,14-17H2;1H/q+1;/p-1",C23H23N2O2S2.Br,,,,,,FSILXDXZXIDNAO-UHFFFAOYSA-M,,,,,,,,,,,
100.032.822,236-120-7,13173-04-1,"Ethyl (Z,Z)-9,9-dibutyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate","ethyl 9,9-dibutyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",CCCC[Sn](CCCC)(OC(=O)\\C=C/C(=O)OCC)OC(=O)\\C=C/C(=O)OCC,CCCC[Sn](CCCC)(OC(=O)\C=C/C(=O)OCC)OC(=O)\C=C/C(=O)OCC,"InChI=1/2C6H8O4.2C4H9.Sn/c2*1-2-10-6(9)4-3-5(7)8;2*1-3-4-2;/h2*3-4H,2H2,1H3,(H,7,8);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC20H32O8Sn/c1-5-9-15-29(16-10-6-2,27-19(23)13-11-17(21)25-7-3)28-20(24)14-12-18(22)26-8-4/h11-14H,5-10,15-16H2,1-4H3",C20H32O8Sn,,,,,,OSGZEAQLLRZGHT-VGKOASNMSA-L,,,,,,,,,,,
100.032.830,236-129-6,13181-17-4,Bromofenoxim,"3,5-dibromo-4-hydroxybenzaldehyde O-(2,4-dinitrophenyl)oxime",Brc1cc(cc(Br)c1O)C=NOc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O,Brc1cc(cc(Br)c1O)C=NOc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H",C13H7Br2N3O6,,,,,,XTFNPKDYCLFGPV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.834,236-133-8,13183-81-8,Sodium 3-[(hexadecylamino)carbonyl]-4-hydroxynaphthalene-1-sulphonate,sodium 3-(hexadecylcarbamoyl)-4-hydroxynaphthalene-1-sulfonate,[Na+].CCCCCCCCCCCCCCCCNC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCNC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)[O-],"InChI=1/C27H41NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-27(30)24-21-25(34(31,32)33)22-18-15-16-19-23(22)26(24)29;/h15-16,18-19,21,29H,2-14,17,20H2,1H3,(H,28,30)(H,31,32,33);/q;+1/p-1",C27H41NO5S.Na,,,,,,SMFCODVQSWXCGR-UHFFFAOYSA-M,,,,,,,,,,,
100.032.842,236-142-7,13187-99-0,2-bromododecane,2-bromododecane,CCCCCCCCCCC(C)Br,CCCCCCCCCCC(C)Br,"InChI=1/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3",C12H25Br,,,,,,GIUUCQVKMWBSRT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.849,236-150-0,13192-13-7,Disodium 4-tetradecyl 2-sulphonatosuccinate,disodium 4-oxo-2-sulfonato-4-(tetradecyloxy)butanoate,[Na+].[Na+].CCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H34O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-17(19)15-16(18(20)21)26(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2",C18H34O7S.2Na,,,,,,GYECOSHSEIRZLG-UHFFFAOYSA-L,,,,,,,,,,,
100.032.856,236-157-9,13195-66-9,Ethyl 3-oxodecanoate,ethyl 3-oxodecanoate,CCCCCCCC(=O)CC(=O)OCC,CCCCCCCC(=O)CC(=O)OCC,"InChI=1/C12H22O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3-10H2,1-2H3",C12H22O3,,,,,,YZKPCVHTRBTTAX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.858,236-160-5,13195-76-1,Triisobutyl borate,triisobutyl borate,CC(C)COB(OCC(C)C)OCC(C)C,CC(C)COB(OCC(C)C)OCC(C)C,"InChI=1/C12H27BO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3",C12H27BO3,,,,,,LHJSLDBKUGXPMI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.863,236-165-2,13200-83-4,1-formyl-L-proline,1-formyl-L-proline,OC(=O)[C@@H]1CCCN1C=O,OC(=O)[C@@H]1CCCN1C=O,"InChI=1/C6H9NO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5H,1-3H2,(H,9,10)",C6H9NO3,,,,,,DHDRGOURKDLAOT-YFKPBYRVSA-N,,,,,,,,,,,
100.032.864,236-166-8,13200-85-6,N-formyl-3-phenyl-L-alanine,N-formylphenylalanine,OC(=O)[C@H](Cc1ccccc1)NC=O,OC(=O)[C@H](Cc1ccccc1)NC=O,"InChI=1/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)",C10H11NO3,,,,,,NSTPXGARCQOSAU-VIFPVBQESA-N,,,,,,,,,,,
100.032.866,236-168-9,13204-98-3,5-hydroxy-DL-lysine hydrochloride,"2,6-diammonio-5-hydroxyhexanoate chloride (non-preferred name)",[Cl-].[NH3+]CC(O)CCC([NH3+])C(=O)[O-],[Cl-].[NH3+]CC(O)CCC([NH3+])C(=O)[O-],"InChI=1/C6H14N2O3.ClH/c7-3-4(9)1-2-5(8)6(10)11;/h4-5,9H,1-3,7-8H2,(H,10,11);1H",C6H14N2O3.ClH,,,,,,MJXVOTKVFFAZQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.868,236-171-5,13205-48-6,4-(methylthio)benzoic acid,4-(methylsulfanyl)benzoic acid,CSc1ccc(cc1)C(=O)O,CSc1ccc(cc1)C(=O)O,"InChI=1/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O2S,,,,,,KWHCPERWLHBLOT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.869,236-172-0,13205-49-7,4-(ethylthio)benzoic acid,4-(ethylsulfanyl)benzoic acid,CCSc1ccc(cc1)C(=O)O,CCSc1ccc(cc1)C(=O)O,"InChI=1/C9H10O2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)",C9H10O2S,,,,,,LDYCQBKCUOVGDA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.225,239-864-0,15772-26-6,[2-[N-(2-hydroxyethyl)anilino]ethyl] hydrogen maleate,4-{2-[(2-hydroxyethyl)(phenyl)amino]ethoxy}-4-oxobut-2-enoic acid,OCCN(CCOC(=O)\\C=C/C(=O)O)c1ccccc1,OCCN(CCOC(=O)\C=C/C(=O)O)c1ccccc1,"InChI=1/C14H17NO5/c16-10-8-15(12-4-2-1-3-5-12)9-11-20-14(19)7-6-13(17)18/h1-7,16H,8-11H2,(H,17,18)",C14H17NO5,,,,,,PTTYCKUPSLRLBP-SREVYHEPSA-N,,,,,,,,,,,
100.036.230,239-869-8,15773-55-4,Lead dilaurate,-,[Pb+2].[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC,[Pb+2].[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2*2-11H2,1H3,(H,13,14);;;/q;;+4;;/p-2/r2C12H24O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);1H2/q;;+4/p-2",C12H24O2.1/2Pb,,,,,,YDKNIVGNQVFYPR-UHFFFAOYSA-L,,,,,,,,,,,
100.037.654,241-436-3,17408-59-2,4-(1-methylnonyl)phenol,4-(1-methylnonyl)phenol,CCCCCCCCC(C)c1ccc(O)cc1,CCCCCCCCC(C)c1ccc(O)cc1,"InChI=1/C16H26O/c1-3-4-5-6-7-8-9-14(2)15-10-12-16(17)13-11-15/h10-14,17H,3-9H2,1-2H3",C16H26O,,,,,,CIIDOZQHEPMZIR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.655,241-437-9,17409-52-8,"p-morpholinobenzenediazonium chloride, compound with zinc chloride","p-morpholinobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].N#[N+]c1ccc(cc1)N2CCOCC2,[Cl-].[Cl-].[Cl-].[Zn+2].N#[N+]c1ccc(cc1)N2CCOCC2,"InChI=1/C10H12N3O.3ClH.Zn/c11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;;;;/h1-4H,5-8H2;3*1H;/q+1;;;;+2/p-3",C10H12N3O.xCl2Zn.Cl,,,,,,MVZAGZKHDFJNHJ-UHFFFAOYSA-K,,,,,,,,,,,
100.037.660,241-443-1,17418-59-6,1-amino-4-hydroxy-2-(2-phenoxyethoxy)anthraquinone,"1-amino-4-hydroxy-2-(2-phenoxyethoxy)-9,10-anthraquinone",Nc1c(OCCOc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(OCCOc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H17NO5/c23-20-17(28-11-10-27-13-6-2-1-3-7-13)12-16(24)18-19(20)22(26)15-9-5-4-8-14(15)21(18)25/h1-9,12,24H,10-11,23H2",C22H17NO5,,,,,,QIQBPLFYOLFHTB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.879,237-283-7,13720-12-2,"4-(2,2-dimethyl-6-methylenecyclohexyl)butan-2-one","4-(2,2-dimethyl-6-methylenecyclohexyl)butan-2-one",CC(=O)CCC1C(=C)CCCC1(C)C,CC(=O)CCC1C(=C)CCCC1(C)C,"InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h12H,1,5-9H2,2-4H3",C13H22O,,,,,,ZLPHULOLXDKCND-UHFFFAOYSA-N,,,,,,,,,,,
100.033.881,237-285-8,13720-37-1,"a,2,6,6-tetramethylcyclohex-2-ene-1-propan-1-ol","4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol",CC(O)CCC1C(=CCCC1(C)C)C,CC(O)CCC1C(=CCCC1(C)C)C,"InChI=1/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,11-12,14H,5,7-9H2,1-4H3",C13H24O,,,,,,OTXZMHLBFXFVPP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.891,237-296-8,13726-85-7,N2-[(tert-butoxy)carbonyl]-L-glutamine,N~2~-(tert-butoxycarbonyl)-L-glutamine,CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O,"InChI=1/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)",C10H18N2O5,,,,,,VVNYDCGZZSTUBC-LURJTMIESA-N,,,,,,,,,,,
100.033.901,237-307-6,13734-41-3,N-[(tert-butoxy)carbonyl]-L-valine,N-(tert-butoxycarbonyl)-L-valine,CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O,CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)",C10H19NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11807,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.901,SZXBQTSZISFIAO-ZETCQYMHSA-N,,,,,,,,,,,
100.033.904,237-310-2,13739-02-1,Diacerein,"4,5-diacetoxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(=O)C)c3C(=O)c12)C(=O)O,CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(=O)C)c3C(=O)c12)C(=O)O,"InChI=1/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)",C19H12O8,,,,,,TYNLGDBUJLVSMA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.912,237-319-1,13746-57-1,"(exo,exo)-2-methoxy-5-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol","2-methoxy-5-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1ccc(cc1O)C2CC3CC2C(C)C3(C)C,COc1ccc(cc1O)C2CC3CC2C(C)C3(C)C,"InChI=1/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-16(19-4)15(18)7-11/h5-7,10,12-14,18H,8-9H2,1-4H3",C17H24O2,,,,,,HOWLDRFFEKSVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.539,241-310-8,17279-31-1,"(S)-N,N,a-trimethylbenzylamine","N,N-dimethyl-1-phenylethanamine",C[C@H](N(C)C)c1ccccc1,C[C@H](N(C)C)c1ccccc1,"InChI=1/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3",C10H15N,,,,,,BVURNMLGDQYNAF-VIFPVBQESA-N,,,,,,,,,,,
100.037.544,241-316-0,17282-41-6,1-(2-oxopropyl)pyridinium bromide,1-(2-oxopropyl)pyridinium bromide,[Br-].CC(=O)C[n+]1ccccc1,[Br-].CC(=O)C[n+]1ccccc1,"InChI=1/C8H10NO.BrH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1",C8H10NO.Br,,,,,,RBFIDROZWYVUGX-UHFFFAOYSA-M,,,,,,,,,,,
100.037.547,241-319-7,17286-26-9,5-hydroxynaphthalene-1-sulphonamide,5-hydroxynaphthalene-1-sulfonamide,NS(=O)(=O)c1cccc2c(O)cccc12,NS(=O)(=O)c1cccc2c(O)cccc12,"InChI=1/C10H9NO3S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6,12H,(H2,11,13,14)",C10H9NO3S,,,,,,NFVBVKHGDDDCEA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.550,241-322-3,17292-62-5,Sodium cyanamidate,sodium cyanoazanide,[Na]NC#N,[Na]NC#N,InChI=1/CHN2.Na/c2-1-3;/h2H;/q-1;+1/rCHN2Na/c2-1-3-4/h3H,CH2N2.Na,,,,,,MBEGFNBBAVRKLK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.552,241-324-4,17293-59-3,"(1-methylhexane-1,3,5-triyl)trisbenzene","1,1',1''-heptane-2,4,6-triyltribenzene",CC(CC(CC(C)c1ccccc1)c2ccccc2)c3ccccc3,CC(CC(CC(C)c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C25H28/c1-20(22-12-6-3-7-13-22)18-25(24-16-10-5-11-17-24)19-21(2)23-14-8-4-9-15-23/h3-17,20-21,25H,18-19H2,1-2H3",C24H26,,,,,,UGXZATJBUAYFHA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.562,241-335-4,17306-46-6,7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside,CC1OC(OC2C(Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)cc5)OC(CO)C(O)C2O)C(O)C(O)C1O,CC1OC(OC2C(Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)cc5)OC(CO)C(O)C2O)C(O)C(O)C1O,"InChI=1/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3",C27H30O14,,,,,,RPMNUQRUHXIGHK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.735,250-324-3,30748-29-9,Feprazone,"4-(3-methylbut-2-en-1-yl)-1,2-diphenylpyrazolidine-3,5-dione",CC(=CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)C,CC(=CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)C,"InChI=1/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3",C20H20N2O2,,,,,,RBBWCVQDXDFISW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.736,250-325-9,30748-85-7,"2,4,6-tris(1-methyl-1-phenylethyl)phenol","2,4,6-tris(1-methyl-1-phenylethyl)phenol",CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)C(C)(C)c4ccccc4,CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)C(C)(C)c4ccccc4,"InChI=1/C33H36O/c1-31(2,24-16-10-7-11-17-24)27-22-28(32(3,4)25-18-12-8-13-19-25)30(34)29(23-27)33(5,6)26-20-14-9-15-21-26/h7-23,34H,1-6H3",C33H36O,,,,,,CEHYZIXIKLSACQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.742,250-332-7,30772-72-6,"Octahydro-4,7-methano-1H-indenecarboxylic acid","octahydro-1H-4,7-methanoindene-1-carboxylic acid",OC(=O)C1CCC2C3CCC(C3)C12,OC(=O)C1CCC2C3CCC(C3)C12,"InChI=1/C11H16O2/c12-11(13)9-4-3-8-6-1-2-7(5-6)10(8)9/h6-10H,1-5H2,(H,12,13)",C11H16O2,,,,,,ONBQOCZVFSXWQW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.763,243-756-9,20349-44-4,Sodium 6-(acetylamino)-4-hydroxynaphthalene-2-sulphonate,sodium 6-acetamido-4-hydroxynaphthalene-2-sulfonate,[Na+].CC(=O)Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-],[Na+].CC(=O)Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-],"InChI=1/C12H11NO5S.Na/c1-7(14)13-9-3-2-8-4-10(19(16,17)18)6-12(15)11(8)5-9;/h2-6,15H,1H3,(H,13,14)(H,16,17,18);/q;+1/p-1",C12H11NO5S.Na,,,,,,VYDFNELGRXQZSB-UHFFFAOYSA-M,,,,,,,,,,,
100.039.767,243-761-6,20354-26-1,"2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidinedione","2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione",CN1C(=O)ON(C1=O)c2ccc(Cl)c(Cl)c2,CN1C(=O)ON(C1=O)c2ccc(Cl)c(Cl)c2,"InChI=1/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3",C9H6Cl2N2O3,,,,,,LRUUNMYPIBZBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.729,245-917-9,23869-24-1,Monoxerutin,"2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3",C29H34O17,,,,,,MBHXKZDTQCSVPM-BDAFLREQSA-N,,,,,,,,,,,
100.041.733,245-922-6,23873-85-0,Proligestone,"1-acetyl-3-ethyl-12a-methyl-1,5,6,9,10,10a,10b,11,12,12a-decahydro-1,4a-ethanophenanthro[1,2-d][1,3]dioxin-8(4bH)-one",CCC1O[C@@]23CC[C@](O1)(C(=O)C)[C@@]2(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@@H]34,CCC1O[C@@]23CC[C@](O1)(C(=O)C)[C@@]2(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@@H]34,"InChI=1/C23H32O4/c1-4-20-26-22(14(2)24)11-12-23(27-20)19-8-5-15-13-16(25)6-7-17(15)18(19)9-10-21(22,23)3/h13,17-20H,4-12H2,1-3H3",C24H34O4,,,,,,YDVNWTDVKVVFKN-HHRDFERRSA-N,,,,,,,,,,,
100.041.734,245-923-1,23876-13-3,2-methyl-3-nitrobenzyl alcohol,(2-methyl-3-nitrophenyl)methanol,Cc1c(CO)cccc1[N+](=O)[O-],Cc1c(CO)cccc1[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3",C8H9NO3,,,,,,QJANIQCEDPJNLO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.735,245-924-7,23877-12-5,tert-butyl 2-bromo-2-methylpropionate,tert-butyl 2-bromo-2-methylpropanoate,CC(C)(C)OC(=O)C(C)(C)Br,CC(C)(C)OC(=O)C(C)(C)Br,"InChI=1/C8H15BrO2/c1-7(2,3)11-6(10)8(4,5)9/h1-5H3",C8H15BrO2,,,,,,IGVNJALYNQVQIT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.738,245-927-3,23887-41-4,Cinepazet,"ethyl {4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazin-1-yl}acetate",O=C(CN1CCN(CC1)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)OCC,O=C(CN1CCN(CC1)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)OCC,"InChI=1/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3",C20H28N2O6,,,,,,XDUOTWNXVDBCDY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.742,245-932-0,23893-98-3,"6-hydroxyhexyl 1-amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracene-2-carboxylate","6-hydroxyhexyl 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate",Nc1c(cc(O)c2C(=O)c3ccccc3C(=O)c12)C(=O)OCCCCCCO,Nc1c(cc(O)c2C(=O)c3ccccc3C(=O)c12)C(=O)OCCCCCCO,"InChI=1/C21H21NO6/c22-18-14(21(27)28-10-6-2-1-5-9-23)11-15(24)16-17(18)20(26)13-8-4-3-7-12(13)19(16)25/h3-4,7-8,11,23-24H,1-2,5-6,9-10,22H2",C21H21NO6,,,,,,LYPUAMVCOPJRES-UHFFFAOYSA-N,,,,,,,,,,,
100.041.745,245-935-7,23906-97-0,Tetraoctylphosphonium bromide,tetraoctylphosphonium bromide,[Br-].CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,[Br-].CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,"InChI=1/C32H68P.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1",C32H68P.Br,,,,,,QVBRLOSUBRKEJW-UHFFFAOYSA-M,,,,,,,,,,,
100.041.746,245-936-2,23907-51-9,"Nitric acid, lanthanum magnesium salt",-,[Mg+2].[La+3].[O-][N+](=O)[O-],[Mg+2].[La+3].[O-][N+](=O)[O-],InChI=1/La.Mg.NO3/c;;2-1(3)4/q+3;+2;-1,HNO3.xLa.xMg,,,,,,MKNCDLSIRCFZTH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.748,245-938-3,23915-07-3,"1-(bromomethyl)-2,4-difluorobenzene","1-(bromomethyl)-2,4-difluorobenzene",Fc1ccc(CBr)c(F)c1,Fc1ccc(CBr)c(F)c1,"InChI=1/C7H5BrF2/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2",C7H5BrF2,,,,,,IBLMYGXJKQIGSN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.516,239-084-0,14997-58-1,N-benzyloxycarbonyl-L-histidine,N-[(benzyloxy)carbonyl]-L-histidine,OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc2ccccc2,OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc2ccccc2,"InChI=1/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)",C14H15N3O4,,,,,,WCOJOHPAKJFUDF-LBPRGKRZSA-N,,,,,,,,,,,
100.035.517,239-085-6,14998-36-8,"[R-(R*,R*)]-tartaric acid, manganese salt",-,[Mn].O=C(O)C(O)C(O)C(O)=O,[Mn].O=C(O)C(O)C(O)C(O)=O,"InChI=1/C4H6O6.Mn/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2",C4H6O6.xMn,,,,,,SJDKZSWVEBHMFY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.515,235-780-3,12712-28-6,"1,3-Propanediol, 2,2-bis(chloromethyl)-, sulfate",3-chloro-2-(chloromethyl)-2-(hydroxymethyl)propyl sulfate,OCC(CCl)(CCl)COS(=O)(=O)[O-],OCC(CCl)(CCl)COS(=O)(=O)[O-],"InChI=1/C5H10Cl2O5S/c6-1-5(2-7,3-8)4-12-13(9,10)11/h8H,1-4H2,(H,9,10,11)/p-1",-,,,,,,ACTYNLFGAPSZQH-UHFFFAOYSA-M,,,,,,,,,,,
100.034.359,237-810-0,14007-02-4,Butyl mandelate,butyl hydroxy(phenyl)acetate,CCCCOC(=O)C(O)c1ccccc1,CCCCOC(=O)C(O)c1ccccc1,"InChI=1/C12H16O3/c1-2-3-9-15-12(14)11(13)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3",C12H16O3,,,,,,QLVXFMSPNHAPMO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.362,237-813-7,14007-39-7,Trichloro(2-methylbutyl)silane,trichloro(2-methylbutyl)silane,CCC(C)C[Si](Cl)(Cl)Cl,CCC(C)C[Si](Cl)(Cl)Cl,"InChI=1/C5H11Cl3Si/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3",C5H11Cl3Si,,,,,,OQZSESFOMSCPPR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.363,237-814-2,14007-45-5,"L-aspartic acid, potassium salt",potassium 2-amino-3-carboxypropanoate,[K+].N[C@@H](CC(=O)O)C(=O)[O-],[K+].N[C@@H](CC(=O)O)C(=O)[O-],"InChI=1/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1",C4H7NO4.xK,,,,,,TXXVQZSTAVIHFD-DKWTVANSSA-M,,,,,,,,,,,
100.034.364,237-815-8,14007-50-2,"21-hydroxypregn-4-ene-3,20-dione 21-(3-phenylpropionate)","3,20-dioxopregn-4-en-21-yl 3-phenylpropanoate",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCc5ccccc5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCc5ccccc5,"InChI=1/C30H38O4/c1-29-16-14-22(31)18-21(29)9-10-23-24-11-12-26(30(24,2)17-15-25(23)29)27(32)19-34-28(33)13-8-20-6-4-3-5-7-20/h3-7,18,23-26H,8-17,19H2,1-2H3",C30H38O4,,,,,,WPQKMAWYKDSBAX-XLQNIAEWSA-N,,,,,,,,,,,
100.034.367,237-818-4,14008-44-7,Metopimazine,1-{3-[2-(methylsulfonyl)-10H-phenothiazin-10-yl]propyl}piperidine-4-carboxamide,CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CC4)C(=O)N)c2c1,CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CC4)C(=O)N)c2c1,"InChI=1/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)",C22H27N3O3S2,,,,,,BQDBKDMTIJBJLA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.370,237-822-6,14010-23-2,Ethyl heptadecanoate,ethyl heptadecanoate,CCCCCCCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCCCCCCC(=O)OCC,"InChI=1/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3",C19H38O2,,,,,,KNXMUFRWYNVISA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.876,239-480-3,15464-47-8,Tetraphenylphosphonium phenolate,tetraphenylphosphonium phenolate,[O-]c1ccccc1.c2ccc(cc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5,[O-]c1ccccc1.c2ccc(cc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5,"InChI=1/C24H20P.C6H6O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;7-6-4-2-1-3-5-6/h1-20H;1-5,7H/q+1;/p-1",C24H20P.C6H5O,,,,,,ZLLNYWQSSYUXJM-UHFFFAOYSA-M,,,,,,,,,,,
100.035.878,239-482-4,15467-15-9,Ethylenediamine hydrochloride,"ethane-1,2-diamine hydrochloride",Cl.NCCN,Cl.NCCN,InChI=1/C2H8N2.ClH/c3-1-2-4;/h1-4H2;1H,C2H8N2.xClH,,,,,,HCFPRFJJTHMING-UHFFFAOYSA-N,,,,,,,,,,,
100.035.883,239-488-7,15468-86-7,"N,N'-diallyl-6-chloro-1,3,5-triazine-2,4-diamine","N,N'-diallyl-6-chloro-1,3,5-triazine-2,4-diamine",Clc1nc(NCC=C)nc(NCC=C)n1,Clc1nc(NCC=C)nc(NCC=C)n1,"InChI=1/C9H12ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",C9H12ClN5,,,,,,JVNONOVWALQTEB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.886,239-491-3,15471-17-7,1-(3-sulphonatopropyl)pyridinium,3-pyridinium-1-ylpropane-1-sulfonate,[O-]S(=O)(=O)CCC[n+]1ccccc1,[O-]S(=O)(=O)CCC[n+]1ccccc1,"InChI=1/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C8H11NO3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10188,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.886,REEBJQTUIJTGAL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.890,239-496-0,15475-84-0,"3-[(4-aminophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid","3-[(4-aminophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c1cc(O)c3c(c1)cc(c(N=Nc2ccc(N)cc2)c3O)S(O)(=O)=O,OS(=O)(=O)c1cc(O)c3c(c1)cc(c(N=Nc2ccc(N)cc2)c3O)S(O)(=O)=O,"InChI=1/C16H13N3O8S2/c17-9-1-3-10(4-2-9)18-19-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(20)14(8)16(15)21/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27)",C16H13N3O8S2,,,,,,IWOSIGNANKUKIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.891,239-497-6,15475-92-0,"Diethyl[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammonium chloride","N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride",[Cl-].CC[N+](=C1C=CC(=C(c2ccccc2)c3ccc(cc3)N(C)C)C=C1)CC,[Cl-].CC[N+](=C1C=CC(=C(c2ccccc2)c3ccc(cc3)N(C)C)C=C1)CC,"InChI=1/C25H29N2.ClH/c1-5-27(6-2)24-18-14-22(15-19-24)25(20-10-8-7-9-11-20)21-12-16-23(17-13-21)26(3)4;/h7-19H,5-6H2,1-4H3;1H/q+1;/p-1",C25H29N2.Cl,,,,,,QPMPOXXSMJFBNK-UHFFFAOYSA-M,,,,,,,,,,,
100.036.234,239-874-5,15780-02-6,Tetrapropylammonium perchlorate,"N,N,N-tripropylpropan-1-aminium perchlorate",CCC[N+](CCC)(CCC)CCC.[O-]Cl(=O)(=O)=O,CCC[N+](CCC)(CCC)CCC.[O-]Cl(=O)(=O)=O,"InChI=1/C12H28N.ClHO4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C12H28N.ClO4,,,,,,LJDKWXHIGFOFDB-UHFFFAOYSA-M,,,,,,,,,,,
100.036.239,239-879-2,15782-05-5,Strontium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1),strontium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[SrH2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,[SrH2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Sr.2H/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;;/q;+2;;/p-2/rC18H13ClN2O6S.H2Sr/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);1H2/q;+2/p-2",C18H13ClN2O6S.Sr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14694,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.239,BQQLRVZTHREESX-UHFFFAOYSA-L,,,,,,,,,,,
100.036.242,239-882-9,15785-49-6,"O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine, labeled with (125I)iodine","O-(4-hydroxy-3-iodophenyl)-3,5-diiodotyrosine",NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,"InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)",C15H12I3NO4,,,,,,AUYYCJSJGJYCDS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.249,239-890-2,15791-08-9,"4,6-dichloro-1,3,5-triazin-2(1H)-one","4,6-dichloro-1,3,5-triazin-2(1H)-one",ClC1=NC(=NC(=O)N1)Cl,ClC1=NC(=NC(=O)N1)Cl,"InChI=1/C3HCl2N3O/c4-1-6-2(5)8-3(9)7-1/h(H,6,7,8,9)",C3HCl2N3O,,,,,,YKUDHBLDJYZZQS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.002,241-819-5,17869-07-7,1-amino-4-hydroxy-2-(2-hydroxyethoxy)anthraquinone,"1-amino-4-hydroxy-2-(2-hydroxyethoxy)-9,10-anthraquinone",Nc1c(OCCO)cc(O)c2C(=O)c3ccccc3C(=O)c12,Nc1c(OCCO)cc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H13NO5/c17-14-11(22-6-5-18)7-10(19)12-13(14)16(21)9-4-2-1-3-8(9)15(12)20/h1-4,7,18-19H,5-6,17H2",C16H13NO5,,,,,,YNSMMVQJQULRFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.003,241-820-0,17869-10-2,1-amino-4-hydroxy-2-(2-methoxyethoxy)anthraquinone,"1-amino-4-hydroxy-2-(2-methoxyethoxy)-9,10-anthraquinone",COCCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,COCCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C17H15NO5/c1-22-6-7-23-12-8-11(19)13-14(15(12)18)17(21)10-5-3-2-4-9(10)16(13)20/h2-5,8,19H,6-7,18H2,1H3",C17H15NO5,,,,,,DVCMHLZPRDGHKK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.007,241-824-2,17872-55-8,"Methyl 2,2-bis(hydroxymethyl)propionate",methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate,COC(=O)C(C)(CO)CO,COC(=O)C(C)(CO)CO,"InChI=1/C6H12O4/c1-6(3-7,4-8)5(9)10-2/h7-8H,3-4H2,1-2H3",C6H12O4,,,,,,RQEPEDPOJQCJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.011,241-828-4,17875-55-7,"1,1,5,5-tetramethyl-3,3-diphenyltrisiloxane","1,1,5,5-tetramethyl-3,3-diphenyltrisiloxane",C[SiH](C)O[Si](O[SiH](C)C)(c1ccccc1)c2ccccc2,C[SiH](C)O[Si](O[SiH](C)C)(c1ccccc1)c2ccccc2,"InChI=1/C16H24O2Si3/c1-19(2)17-21(18-20(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,19-20H,1-4H3",C16H24O2Si3,,,,,,SBURHUAIGVFSSI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.003,237-419-5,13778-59-1,Lanthanum phosphate,lanthanum phosphate,[La+3].[O-]P(=O)([O-])[O-],[La+3].[O-]P(=O)([O-])[O-],"InChI=1/La.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",H3O4P.La,,,,,,LQFNMFDUAPEJRY-UHFFFAOYSA-K,,,,,,,,,,,
100.034.014,237-431-0,13780-57-9,Sulphur chloride pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[SH4+2].[Cl-],[F-].[F-].[F-].[F-].[F-].[SH4+2].[Cl-],InChI=1/ClH.5FH.H4S/h6*1H;1H4/q;;;;;;+2/p-6,ClF5S,,,,,,BIDWHXVUFKTQQF-UHFFFAOYSA-H,,,,,,,,,,,
100.034.016,237-433-1,13781-53-8,3-thienylacetonitrile,3-thienylacetonitrile,N#CCc1ccsc1,N#CCc1ccsc1,"InChI=1/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2",C6H5NS,,,,,,GWZCLMWEJWPFFA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.017,237-434-7,13781-67-4,Thiophene-3-ethanol,2-(3-thienyl)ethanol,OCCc1ccsc1,OCCc1ccsc1,"InChI=1/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2",C6H8OS,,,,,,YYPNNBPPDFTQFX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.019,237-436-8,13782-18-8,Potassium pentafluorozirconate(1-),potassium pentafluorozirconate(1-),[K+].F[Zr-](F)(F)(F)F,[K+].F[Zr-](F)(F)(F)F,"InChI=1/5FH.K.Zr/h5*1H;;/q;;;;;+1;+4/p-5/rF5Zr.K/c1-6(2,3,4)5;/q-1;+1",F5Zr.K,,,,,,MTJAWOKUELYSDX-UHFFFAOYSA-I,,,,,,,,,,,
100.034.021,237-438-9,13784-51-5,"3,5-dimethyl-1,2-dioxolane-3,5-diol","3,5-dimethyl-1,2-dioxolane-3,5-diol",CC1(O)CC(C)(O)OO1,CC1(O)CC(C)(O)OO1,"InChI=1/C5H10O4/c1-4(6)3-5(2,7)9-8-4/h6-7H,3H2,1-2H3",C5H10O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13101,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.021,ODQWDBNAMVRLSR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.026,237-444-1,13786-80-6,"2,6,10-trimethylcyclododecanone","2,6,10-trimethylcyclododecanone",CC1CCCC(C)CCC(=O)C(C)CCC1,CC1CCCC(C)CCC(=O)C(C)CCC1,"InChI=1/C15H28O/c1-12-6-4-7-13(2)10-11-15(16)14(3)9-5-8-12/h12-14H,4-11H2,1-3H3",C15H28O,,,,,,HSQWMKJHYFHGPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.030,237-448-3,13790-14-2,"2,4-dichloro-3-nitrotoluene","1,3-dichloro-4-methyl-2-nitrobenzene",Cc1ccc(Cl)c(c1Cl)[N+](=O)[O-],Cc1ccc(Cl)c(c1Cl)[N+](=O)[O-],"InChI=1/C7H5Cl2NO2/c1-4-2-3-5(8)7(6(4)9)10(11)12/h2-3H,1H3",C7H5Cl2NO2,,,,,,JPGMJOAPBGZPKD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.563,241-337-5,17308-02-0,"3,20-dioxopregn-4-en-17-ß-yl acetate","3,20-dioxopregn-4-en-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3",C23H32O4,,,,,,VTHUYJIXSMGYOQ-KOORYGTMSA-N,,,,,,,,,,,
100.037.565,241-339-6,17309-53-4,"Nitric acid, cerium salt",-,[Ce+3].[O-][N+](=O)[O-],[Ce+3].[O-][N+](=O)[O-],InChI=1/Ce.NO3/c;2-1(3)4/q+3;-1,Ce.xHNO3,,,,,,SLIZCEVNFNMZEP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.567,241-341-7,17316-67-5,Butafosfan,[1-(butylamino)-1-methylethyl]phosphinic acid,CCCCNC(C)(C)P(=O)O,CCCCNC(C)(C)P(=O)O,"InChI=1/C7H18NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8,11H,4-6H2,1-3H3,(H,9,10)",C7H18NO2P,,,,,,WCXWARPXYQCRPP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.568,241-342-2,17321-47-0,"O,O-dimethyl thiophosphoramidate","O,O-dimethyl amidothiophosphate",COP(=S)(N)OC,COP(=S)(N)OC,"InChI=1/C2H8NO2PS/c1-4-6(3,7)5-2/h1-2H3,(H2,3,7)",C2H8NO2PS,,,,,,NKYPKIVMIGIWOB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.570,241-344-3,17321-77-6,Clomipramine hydrochloride,"3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride",Cl.CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13,Cl.CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13,"InChI=1/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H",C19H23ClN2.ClH,,,,,,WIMWMKZEIBHDTH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.571,241-345-9,17323-81-8,Disodium methyl phosphate,disodium methyl phosphate,[Na+].[Na+].COP(=O)([O-])[O-],[Na+].[Na+].COP(=O)([O-])[O-],"InChI=1/CH5O4P.2Na/c1-5-6(2,3)4;;/h1H3,(H2,2,3,4);;/q;2*+1/p-2",CH5O4P.2Na,,,,,,MBTOOKBKBYXTCE-UHFFFAOYSA-L,,,,,,,,,,,
100.037.573,241-348-5,17327-22-9,"3,6-dihydro-4-methoxy-2H-pyran","4-methoxy-3,6-dihydro-2H-pyran",COC1=CCOCC1,COC1=CCOCC1,"InChI=1/C6H10O2/c1-7-6-2-4-8-5-3-6/h2H,3-5H2,1H3",C6H10O2,,,,,,FSMHNRHLQAABPS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.578,241-353-2,17331-61-2,"3,5-bis(trimethylsilyloxy)-1,2,4-triazine","3,5-bis[(trimethylsilyl)oxy]-1,2,4-triazine",C[Si](C)(C)Oc1cnnc(O[Si](C)(C)C)n1,C[Si](C)(C)Oc1cnnc(O[Si](C)(C)C)n1,"InChI=1/C9H19N3O2Si2/c1-15(2,3)13-8-7-10-12-9(11-8)14-16(4,5)6/h7H,1-6H3",C9H19N3O2Si2,,,,,,MNMOUFWORYTNCL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.258,237-699-9,13930-34-2,Clormecaine,2-(dimethylamino)ethyl 3-amino-4-chlorobenzoate,CN(C)CCOC(=O)c1ccc(Cl)c(N)c1,CN(C)CCOC(=O)c1ccc(Cl)c(N)c1,"InChI=1/C11H15ClN2O2/c1-14(2)5-6-16-11(15)8-3-4-9(12)10(13)7-8/h3-4,7H,5-6,13H2,1-2H3",C11H15ClN2O2,,,,,,BMDZNGISRKXXIF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.262,237-703-9,13932-17-7,Dipotassium zinc bis(sulphate),dipotassium zinc bis(sulphate),[K+].[K+].[Zn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[K+].[K+].[Zn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2K.2H2O4S.Zn/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);/q2*+1;;;+2/p-4",H2O4S.K.1/2Zn,,,,,,GCUPVSQZXRYEHO-UHFFFAOYSA-J,,,,,,,,,,,
100.034.263,237-704-4,13933-23-8,Iron diperchlorate,iron(2+) diperchlorate,[Fe+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Fe+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Fe/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Fe,,,,,,CKFMJXZQTNRXGX-UHFFFAOYSA-L,,,,,,,,,,,
100.034.273,237-715-4,13939-33-8,Iron(3+) sodium disulphate,iron(3+) sodium disulphate,[Na+].[Fe+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Na+].[Fe+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Fe.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",Fe.2H2O4S.Na,,,,,,JLUIYMONJKWFGN-UHFFFAOYSA-J,,,,,,,,,,,
100.034.276,237-719-6,13939-70-3,"8,13-diethyl-3,7,12,17,20-pentamethyl-21H,23H-porphine-2-propionic acid","3-(8,13-diethyl-3,7,12,17,20-pentamethylporphin-2-yl)propanoic acid",CCC1=C(C)C2=NC1=CC3=NC(=C(C)C4=NC(=CC5=NC(=C2)C(=C5C)CC)C(=C4CCC(=O)O)C)C=C3C,CCC1=C(C)C2=NC1=CC3=NC(=C(C)C4=NC(=CC5=NC(=C2)C(=C5C)CC)C(=C4CCC(=O)O)C)C=C3C,"InChI=1/C32H34N4O2/c1-8-21-18(5)27-15-30-22(9-2)17(4)26(34-30)14-28-19(6)23(10-11-31(37)38)32(36-28)20(7)25-12-16(3)24(33-25)13-29(21)35-27/h12-15H,8-11H2,1-7H3,(H,37,38)",C32H36N4O2,,,,,,GGVDNRWMLFWIKM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.281,237-724-3,13945-59-0,Ethyl [[4-(acetylamino)phenyl]sulphonyl]carbamate,ethyl [(4-acetamidophenyl)sulfonyl]carbamate,CCOC(=O)NS(=O)(=O)c1ccc(NC(=O)C)cc1,CCOC(=O)NS(=O)(=O)c1ccc(NC(=O)C)cc1,"InChI=1/C11H14N2O5S/c1-3-18-11(15)13-19(16,17)10-6-4-9(5-7-10)12-8(2)14/h4-7H,3H2,1-2H3,(H,12,14)(H,13,15)",C11H14N2O5S,,,,,,ONOVYVJUYZYMCH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.283,237-726-4,13946-02-6,Iproheptine,N-isopropyl-6-methylheptan-2-amine,CC(C)CCCC(C)NC(C)C,CC(C)CCCC(C)NC(C)C,"InChI=1/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3",C11H25N,,,,,,NKGYBXHAQAKSSG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.288,237-732-7,13952-84-6,sec-butylamine,butan-2-amine,CCC(C)N,CCC(C)N,"InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3",C4H11N,,,,,,BHRZNVHARXXAHW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.291,237-735-3,13957-31-8,4-thiouridine,"1-pentofuranosyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one",OCC1OC(C(O)C1O)N2C=CC(=S)NC2=O,OCC1OC(C(O)C1O)N2C=CC(=S)NC2=O,"InChI=1/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)",C9H12N2O5S,,,,,,ZLOIGESWDJYCTF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.378,247-732-9,26486-93-1,"2,3-dihydro-3-hydroxy-1H-isoindol-1-one",3-hydroxyisoindolin-1-one,OC1NC(=O)c2ccccc12,OC1NC(=O)c2ccccc12,"InChI=1/C8H7NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4,7,10H,(H,9,11)",C8H7NO2,,,,,,KAUMDYDNLPQESC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.022,247-340-8,25913-05-7,4-fluoro-4'-hydroxybenzophenone,(4-fluorophenyl)(4-hydroxyphenyl)methanone,Oc1ccc(cc1)C(=O)c2ccc(F)cc2,Oc1ccc(cc1)C(=O)c2ccc(F)cc2,"InChI=1/C13H9FO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H",C13H9FO2,,,,,,HLRVUOFDBXRZBI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.032,247-351-8,25933-53-3,Americium trinitrate,americium(3+) trinitrate,[Am+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Am+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Am.3NO3/c;3*2-1(3)4/q+3;3*-1,Am.3HNO3,,,,,,GMIZSJXFNCBKPE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.038,247-358-6,25948-12-3,2-[(5-nitro-2-pyridyl)amino]ethanol,2-[(5-nitropyridin-2-yl)amino]ethanol,OCCNc1ccc(cn1)[N+](=O)[O-],OCCNc1ccc(cn1)[N+](=O)[O-],"InChI=1/C7H9N3O3/c11-4-3-8-7-2-1-6(5-9-7)10(12)13/h1-2,5,11H,3-4H2,(H,8,9)",C7H9N3O3,,,,,,STGZMDMCSWZWHU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.039,247-359-1,25948-15-6,2-[N-methyl-N-(5-nitro-2-pyridyl)amino]ethanol,2-[methyl(5-nitropyridin-2-yl)amino]ethanol,CN(CCO)c1ccc(cn1)[N+](=O)[O-],CN(CCO)c1ccc(cn1)[N+](=O)[O-],"InChI=1/C8H11N3O3/c1-10(4-5-12)8-3-2-7(6-9-8)11(13)14/h2-3,6,12H,4-5H2,1H3",C8H11N3O3,,,,,,JMCDFZGHBZLEAP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.042,247-362-8,25953-19-9,Cefazolin,"3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1,Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1,"InChI=1/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)",C14H14N8O4S3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6991,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.042,MLYYVTUWGNIJIB-BXKDBHETSA-N,,,,,,,,,,,
100.043.043,247-363-3,25954-13-6,Ammonium ethyl carbamoylphosphonate,ammonium ethyl carbamoylphosphonate,[NH4+].CCOP(=O)([O-])C(=O)N,[NH4+].CCOP(=O)([O-])C(=O)N,"InChI=1/C3H8NO4P.H3N/c1-2-8-9(6,7)3(4)5;/h2H2,1H3,(H2,4,5)(H,6,7);1H3",C3H8NO4P.H3N,,,,,,OTSAMNSACVKIOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.053,247-374-3,25962-05-4,3-ethyl-5-[(3-ethyl-(3H)-benzoxazol-2-ylidene)ethylidene]-2-thioxothiazolidin-4-one,"3-ethyl-5-[2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",CCN1C(=S)SC(=CC=C2Oc3ccccc3N2CC)C1=O,CCN1C(=S)SC(=CC=C2Oc3ccccc3N2CC)C1=O,"InChI=1/C16H16N2O2S2/c1-3-17-11-7-5-6-8-12(11)20-14(17)10-9-13-15(19)18(4-2)16(21)22-13/h5-10H,3-4H2,1-2H3",C16H16N2O2S2,,,,,,YAORVROFPFPJJU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.054,247-375-9,25962-08-7,3-ethyl-5-(1-ethyl-(1H)-pyridin-4-ylidene)-2-thioxothiazolidin-4-one,"3-ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one",CCN1C=CC(=C2SC(=S)N(CC)C2=O)C=C1,CCN1C=CC(=C2SC(=S)N(CC)C2=O)C=C1,"InChI=1/C12H14N2OS2/c1-3-13-7-5-9(6-8-13)10-11(15)14(4-2)12(16)17-10/h5-8H,3-4H2,1-2H3",C12H14N2OS2,,,,,,URVNGLXEYBEJIN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.060,247-382-7,25968-91-6,"(5a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one hydrochloride","3-methoxy-17-methyl-4,5-epoxymorphinan-6-one hydrochloride",Cl.COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C,Cl.COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H21NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1H",C18H21NO3.ClH,,,,,,GCJAEXSZUXBMFS-RNWHKREASA-N,,,,,,,,,,,
100.040.147,244-179-5,21054-72-8,3-benzyl-1-dodecyl-2-methyl-1H-imidazolium chloride,"3-benzyl-1-dodecyl-2-methyl-2,3-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCCCCCCCCC[NH+]1C=CN(Cc2ccccc2)C1C,[Cl-].CCCCCCCCCCCC[NH+]1C=CN(Cc2ccccc2)C1C,"InChI=1/C23H38N2.ClH/c1-3-4-5-6-7-8-9-10-11-15-18-24-19-20-25(22(24)2)21-23-16-13-12-14-17-23;/h12-14,16-17,19-20,22H,3-11,15,18,21H2,1-2H3;1H",C23H37N2.Cl,,,,,,QGDOHWWGCVCWLK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.149,244-181-6,21055-88-9,"Bis[2-[ethyl[(heptadecafluorooctyl)sulphonyl]amino]ethyl] (4-methyl-1,3-phenylene)biscarbamate","bis(2-{ethyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl) (4-methyl-1,3-phenylene)biscarbamate",CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C33H26F34N4O8S2/c1-4-70(80(74,75)32(64,65)28(54,55)24(46,47)20(38,39)18(34,35)22(42,43)26(50,51)30(58,59)60)8-10-78-16(72)68-14-7-6-13(3)15(12-14)69-17(73)79-11-9-71(5-2)81(76,77)33(66,67)29(56,57)25(48,49)21(40,41)19(36,37)23(44,45)27(52,53)31(61,62)63/h6-7,12H,4-5,8-11H2,1-3H3,(H,68,72)(H,69,73)",C33H26F34N4O8S2,,,,,,UTFFCBMSUHQFKN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.899,239-505-8,15481-70-6,"2-methylbenzene-1,3-diamine dihydrochloride","2-methylbenzene-1,3-diamine dihydrochloride",Cl.Cl.Cc1c(N)cccc1N,Cl.Cl.Cc1c(N)cccc1N,"InChI=1/C7H10N2.2ClH/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H",C7H10N2.2ClH,,,,,,LXIJUYQULXUMDO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.901,239-507-9,15484-34-1,4-amino-a-(4-aminocyclohexyl)cyclohexylmethyl carbamate,bis(4-aminocyclohexyl)methyl carbamate,NC1CCC(CC1)C(OC(=O)N)C2CCC(N)CC2,NC1CCC(CC1)C(OC(=O)N)C2CCC(N)CC2,"InChI=1/C14H27N3O2/c15-11-5-1-9(2-6-11)13(19-14(17)18)10-3-7-12(16)8-4-10/h9-13H,1-8,15-16H2,(H2,17,18)",C14H27N3O2,,,,,,WTRTWNXSQAXYMT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.906,239-513-1,15486-33-6,"3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone","3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one",COc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(OC)cc3O2,COc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(OC)cc3O2,"InChI=1/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3",C17H14O6,,,,,,KZBAXKKOXPLOBX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.885,236-189-3,13220-33-2,1-methylpyrrolidin-3-ol,1-methylpyrrolidin-3-ol,CN1CCC(O)C1,CN1CCC(O)C1,"InChI=1/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3",C5H11NO,,,,,,FLVFPAIGVBQGET-UHFFFAOYSA-N,,,,,,,,,,,
100.032.892,236-197-7,13224-94-7,3-O-methyl-a-D-glucopyranose,3-O-methyl-alpha-D-glucopyranose,CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O,CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O,"InChI=1/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3",C7H14O6,,,,,,SCBBSJMAPKXHAH-OVHBTUCOSA-N,,,,,,,,,,,
100.032.893,236-198-2,13224-99-2,"4,6-O-ethylidene-a-D-glucose","4,6-O-ethylidene-alpha-D-glucopyranose",O[C@H]2O[C@@H]1COC(C)O[C@H]1[C@H](O)[C@H]2O,O[C@H]2O[C@@H]1COC(C)O[C@H]1[C@H](O)[C@H]2O,"InChI=1/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3",C8H14O6,,,,,,VZPBLPQAMPVTFO-NKWOADHPSA-N,,,,,,,,,,,
100.032.898,236-203-8,13231-00-0,"7,9-dihydro-1H-purine-6,8-dione","7,9-dihydro-1H-purine-6,8-dione",O=C1NC2=C(N1)C(=O)NC=N2,O=C1NC2=C(N1)C(=O)NC=N2,"InChI=1/C5H4N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)",C5H4N4O2,,,,,,BYUOBSUZYQAFJM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.899,236-204-3,13232-83-2,N-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]acetamide,N-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]acetamide,COc1cc(CC(C)(NC(=O)C)C#N)ccc1O,COc1cc(CC(C)(NC(=O)C)C#N)ccc1O,"InChI=1/C13H16N2O3/c1-9(16)15-13(2,8-14)7-10-4-5-11(17)12(6-10)18-3/h4-6,17H,7H2,1-3H3,(H,15,16)",C13H16N2O3,,,,,,LWNXUHPNXYVCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.902,236-208-5,13235-12-6,4-bromo-2-methylquinolin-3-ol,4-bromo-2-methylquinolin-3-ol,Cc1nc2ccccc2c(Br)c1O,Cc1nc2ccccc2c(Br)c1O,"InChI=1/C10H8BrNO/c1-6-10(13)9(11)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3",C10H8BrNO,,,,,,KJLMRQHMWOMEST-UHFFFAOYSA-N,,,,,,,,,,,
100.032.914,236-221-6,13242-44-9,2-(dimethylamino)ethanethiol hydrochloride,2-(dimethylamino)ethanethiol hydrochloride,Cl.CN(C)CCS,Cl.CN(C)CCS,"InChI=1/C4H11NS.ClH/c1-5(2)3-4-6;/h6H,3-4H2,1-2H3;1H",C4H11NS.ClH,,,,,,NRVFDGZJTPCULU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.918,236-225-8,13244-35-4,2-chloro-4-mesylaniline,2-chloro-4-(methylsulfonyl)aniline,CS(=O)(=O)c1ccc(N)c(Cl)c1,CS(=O)(=O)c1ccc(N)c(Cl)c1,"InChI=1/C7H8ClNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3",C7H8ClNO2S,,,,,,VLMRGLCBIFWPGL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.920,236-227-9,13246-32-7,o-phenylenebis(dimethylarsine),"1,2-phenylenebis(dimethylarsine)",C[As](C)c1ccccc1[As](C)C,C[As](C)c1ccccc1[As](C)C,"InChI=1/C10H16As2/c1-11(2)9-7-5-6-8-10(9)12(3)4/h5-8H,1-4H3",C10H16As2,,,,,,HUBWRAMPQVYBRS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.921,236-228-4,13246-52-1,"Ethyl 2,4-dioxohexanoate","ethyl 2,4-dioxohexanoate",CCOC(=O)C(=O)CC(=O)CC,CCOC(=O)C(=O)CC(=O)CC,"InChI=1/C8H12O4/c1-3-6(9)5-7(10)8(11)12-4-2/h3-5H2,1-2H3",C8H12O4,,,,,,JGFBKJBAYISHAG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.922,236-230-5,13248-54-9,Cyclohexyl chloroformate,cyclohexyl chlorocarbonate,ClC(=O)OC1CCCCC1,ClC(=O)OC1CCCCC1,"InChI=1/C7H11ClO2/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2",C7H11ClO2,,,,,,IWVJLGPDBXCTDA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.923,236-231-0,13248-55-0,5-amino-N-(2-hydroxyethyl)-2-methylbenzenesulphonamide,5-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide,Cc1ccc(N)cc1S(=O)(=O)NCCO,Cc1ccc(N)cc1S(=O)(=O)NCCO,"InChI=1/C9H14N2O3S/c1-7-2-3-8(10)6-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3",C9H14N2O3S,,,,,,WWHPEPVZSCLPRC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.925,236-233-1,13250-95-8,Diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate,diethyl {[(6-methylpyridin-2-yl)amino]methylene}malonate,CCOC(=O)C(=CNc1cccc(C)n1)C(=O)OCC,CCOC(=O)C(=CNc1cccc(C)n1)C(=O)OCC,"InChI=1/C14H18N2O4/c1-4-19-13(17)11(14(18)20-5-2)9-15-12-8-6-7-10(3)16-12/h6-9H,4-5H2,1-3H3,(H,15,16)",C14H18N2O4,,,,,,IAXFBMUDERBERN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.031,237-449-9,13794-14-4,2-phenoxybutyric acid,2-phenoxybutanoic acid,CCC(Oc1ccccc1)C(=O)O,CCC(Oc1ccccc1)C(=O)O,"InChI=1/C10H12O3/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)",C10H12O3,,,,,,TVSPPYGAFOVROT-UHFFFAOYSA-N,,,,,,,,,,,
100.034.036,237-455-1,13806-04-7,"4-amino-N,N-dimethylaniline hydrochloride","N,N-dimethylbenzene-1,4-diamine hydrochloride",Cl.CN(C)c1ccc(N)cc1,Cl.CN(C)c1ccc(N)cc1,"InChI=1/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H",C8H12N2.xClH,,,,,,KTWNIUBGGFBRKH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.038,237-457-2,13811-50-2,"1,3-divinylimidazolidin-2-one","1,3-divinylimidazolidin-2-one",C=CN1CCN(C=C)C1=O,C=CN1CCN(C=C)C1=O,"InChI=1/C7H10N2O/c1-3-8-5-6-9(4-2)7(8)10/h3-4H,1-2,5-6H2",C7H10N2O,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/16731,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.038,HMYBDZFSXBJDGL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.039,237-458-8,13811-71-7,"Diethyl [S-(R*,R*)]-tartrate",diethyl tartarate,CCOC(=O)C(O)C(O)C(=O)OCC,CCOC(=O)C(O)C(O)C(=O)OCC,"InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3",C8H14O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17261,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.039,YSAVZVORKRDODB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.399,242-255-2,18375-62-7,N-decyl-D-gluconamide,"N-decyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C16H33NO6/c1-2-3-4-5-6-7-8-9-10-17-16(23)15(22)14(21)13(20)12(19)11-18/h12-15,18-22H,2-11H2,1H3,(H,17,23)",C16H33NO6,,,,,,REISOHCMNXKYLD-APIJFGDWSA-N,,,,,,,,,,,
100.038.402,242-258-9,18375-65-0,N-hexadecyl-D-gluconamide,"N-hexadecyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C22H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-22(29)21(28)20(27)19(26)18(25)17-24/h18-21,24-28H,2-17H2,1H3,(H,23,29)",C22H45NO6,,,,,,BAQZGMGRUAWPCJ-MXEMCNAFSA-N,,,,,,,,,,,
100.038.403,242-259-4,18375-66-1,N-octadecyl-D-gluconamide,"2,3,4,5,6-pentahydroxy-N-octadecylhexanamide (non-preferred name)",CCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-24(31)23(30)22(29)21(28)20(27)19-26/h20-23,26-30H,2-19H2,1H3,(H,25,31)",C24H49NO6,,,,,,NXLFPCFLIXFFRH-BXXSPATCSA-N,,,,,,,,,,,
100.038.410,242-267-8,18388-99-3,"1-butyl-3,3-diethyl-1-(trimethylsilyl)urea","1-butyl-3,3-diethyl-1-(trimethylsilyl)urea",CCCCN(C(=O)N(CC)CC)[Si](C)(C)C,CCCCN(C(=O)N(CC)CC)[Si](C)(C)C,"InChI=1/C12H28N2OSi/c1-7-10-11-14(16(4,5)6)12(15)13(8-2)9-3/h7-11H2,1-6H3",C12H28N2OSi,,,,,,UJPXKMUARILIQY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.411,242-268-3,18389-46-3,DL-3-(2-thienyl)-ß-alanine,3-amino-3-(2-thienyl)propanoic acid,NC(CC(=O)O)c1cccs1,NC(CC(=O)O)c1cccs1,"InChI=1/C7H9NO2S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)",C7H9NO2S,,,,,,GYAYLYLPTPXESE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.412,242-269-9,18390-48-2,Potassium 2-hydroxy-1-naphthoate,potassium 2-hydroxy-1-naphthoate,[K+].Oc1ccc2ccccc2c1C(=O)[O-],[K+].Oc1ccc2ccccc2c1C(=O)[O-],"InChI=1/C11H8O3.K/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14;/h1-6,12H,(H,13,14);/q;+1/p-1",C11H8O3.K,,,,,,VOYOUEKVKQKBNT-UHFFFAOYSA-M,,,,,,,,,,,
100.038.421,242-279-3,18403-56-0,"3,4-dihydro-4,7-diisopropyl-2,2-dimethyl-2H-1-benzopyran-4-ol","4,7-diisopropyl-2,2-dimethylchroman-4-ol",CC(C)c1ccc2c(OC(C)(C)CC2(O)C(C)C)c1,CC(C)c1ccc2c(OC(C)(C)CC2(O)C(C)C)c1,"InChI=1/C17H26O2/c1-11(2)13-7-8-14-15(9-13)19-16(5,6)10-17(14,18)12(3)4/h7-9,11-12,18H,10H2,1-6H3",C17H26O2,,,,,,CBBXPPAYCJSBPI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.428,242-287-7,18407-94-8,Tetrakis(2-ethoxyethyl) orthosilicate,tetrakis(2-ethoxyethyl) orthosilicate,CCOCCO[Si](OCCOCC)(OCCOCC)OCCOCC,CCOCCO[Si](OCCOCC)(OCCOCC)OCCOCC,"InChI=1/C16H36O8Si/c1-5-17-9-13-21-25(22-14-10-18-6-2,23-15-11-19-7-3)24-16-12-20-8-4/h5-16H2,1-4H3",C16H36O8Si,,,,,,OTTUQUOINFJTBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.429,242-288-2,18409-17-1,(E)-oct-2-en-1-ol,oct-2-en-1-ol,CCCCC\\C=C\\CO,CCCCC\C=C\CO,"InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3",C8H16O,,,,,,AYQPVPFZWIQERS-VOTSOKGWSA-N,,,,,,,,,,,
100.038.432,242-291-9,18409-21-7,"(2E,4E)-2,4-decadien-1-ol","deca-2,4-dien-1-ol",CCCCC\\C=C\\C=C\\CO,CCCCC\C=C\C=C\CO,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3",C10H18O,,,,,,NUBWFSDCZULDCI-BLHCBFLLSA-N,,,,,,,,,,,
100.038.436,242-296-6,18418-79-6,"N,N-dimethyl-4-(triethoxysilyl)aniline","N,N-dimethyl-4-(triethoxysilyl)aniline",CCO[Si](OCC)(OCC)c1ccc(cc1)N(C)C,CCO[Si](OCC)(OCC)c1ccc(cc1)N(C)C,"InChI=1/C14H25NO3Si/c1-6-16-19(17-7-2,18-8-3)14-11-9-13(10-12-14)15(4)5/h9-12H,6-8H2,1-5H3",C14H25NO3Si,,,,,,ZDAMOIHILBVHMU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.437,242-297-1,18419-53-9,Chlorodiphenylvinylsilane,chloro(diphenyl)vinylsilane,Cl[Si](C=C)(c1ccccc1)c2ccccc2,Cl[Si](C=C)(c1ccccc1)c2ccccc2,"InChI=1/C14H13ClSi/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12H,1H2",C14H13ClSi,,,,,,PLMTWHZZBPGADP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.298,237-743-7,13963-59-2,"Tris(diethyldithiocarbamato-S,S')iron",iron(3+) tris(diethyldithiocarbamate),CCN(CC)C(=S)S[Fe](SC(=S)N(CC)CC)SC(=S)N(CC)CC,CCN(CC)C(=S)S[Fe](SC(=S)N(CC)CC)SC(=S)N(CC)CC,"InChI=1/3C5H11NS2.Fe/c3*1-3-6(4-2)5(7)8;/h3*3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3/rC15H30FeN3S6/c1-7-17(8-2)13(20)23-16(24-14(21)18(9-3)10-4)25-15(22)19(11-5)12-6/h7-12H2,1-6H3",C15H30FeN3S6,,,,,,WGPCJVLKOFIRMS-UHFFFAOYSA-K,,,,,,,,,,,
100.034.305,237-751-0,13972-49-1,"(ethylimino)di-2,1-ethanediyl bismethacrylate","(ethylimino)diethane-2,1-diyl bis(2-methylacrylate)",CCN(CCOC(=O)C(=C)C)CCOC(=O)C(=C)C,CCN(CCOC(=O)C(=C)C)CCOC(=O)C(=C)C,"InChI=1/C14H23NO4/c1-6-15(7-9-18-13(16)11(2)3)8-10-19-14(17)12(4)5/h2,4,6-10H2,1,3,5H3",C14H23NO4,,,,,,BHICZSRCJVGOGG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.665,241-448-9,17422-32-1,5-chloroindole,5-chloro-1H-indole,Clc1ccc2[nH]ccc2c1,Clc1ccc2[nH]ccc2c1,"InChI=1/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H",C8H6ClN,,,,,,MYTGFBZJLDLWQG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.668,241-452-0,17423-52-8,Tris(2-ethylhexyl)phosphine,tris(2-ethylhexyl)phosphine,CCCCC(CC)CP(CC(CC)CCCC)CC(CC)CCCC,CCCCC(CC)CP(CC(CC)CCCC)CC(CC)CCCC,"InChI=1/C24H51P/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",C24H51P,,,,,,UTAXICGCDMYKKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.672,241-456-2,17430-82-9,"Oleic acid, compound with dodecylamine (1:1)",octadec-9-enoic acid - dodecan-1-amine (1:1),CCCCCCCCCCCCN.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C18H34O2.C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-13H2,1H3",C18H34O2.C12H27N,,,,,,YGNMKCIQDOADAV-KVVVOXFISA-N,,,,,,,,,,,
100.037.678,241-463-0,17448-96-3,Diethyl furfurylidenemalonate,diethyl (2-furylmethylene)malonate,CCOC(=O)C(=Cc1occc1)C(=O)OCC,CCOC(=O)C(=Cc1occc1)C(=O)OCC,"InChI=1/C12H14O5/c1-3-15-11(13)10(12(14)16-4-2)8-9-6-5-7-17-9/h5-8H,3-4H2,1-2H3",C12H14O5,,,,,,IRUZVWQOYLRAQX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.679,241-464-6,17449-76-2,Methyl 4-hydroxycyclohexanecarboxylate,methyl 4-hydroxycyclohexanecarboxylate,COC(=O)C1CCC(O)CC1,COC(=O)C1CCC(O)CC1,"InChI=1/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3",C8H14O3,,,,,,HYDYVXROZHFTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.689,241-475-6,17462-58-7,sec-butyl chloroformate,sec-butyl chlorocarbonate,CCC(C)OC(=O)Cl,CCC(C)OC(=O)Cl,"InChI=1/C5H9ClO2/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3",C5H9ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5672,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.689,YSMHTFWPDRJCMN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.692,241-478-2,17463-43-3,"3,3,3-trifluoro-DL-alanine","3,3,3-trifluoro-L-alanine",N[C@H](C(=O)O)C(F)(F)F,N[C@H](C(=O)O)C(F)(F)F,"InChI=1/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)",C3H4F3NO2,,,,,,HMJQKIDUCWWIBW-PVQJCKRUSA-N,,,,,,,,,,,
100.037.693,241-479-8,17463-61-5,L-arginine L-ascorbate,arginine,NC(CCCNC(=N)N)C(=O)O,NC(CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C6H14N4O2.C6H8O6,,,,,,ODKSFYDXXFIFQN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.698,241-485-0,17467-15-1,"3-phenyl-1,2,4-thiadiazol-5-ylamine","3-phenyl-1,2,4-thiadiazol-5-amine",Nc1nc(ns1)c2ccccc2,Nc1nc(ns1)c2ccccc2,"InChI=1/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)",C8H7N3S,,,,,,OYAHSBDYBOBAAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.699,241-486-6,17471-45-3,"7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid hydrochloride","3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphine-2,18-diyl]dipropanoic acid hydrochloride",Cl.CC(O)C1=C(C)C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)C(C)O)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O,Cl.CC(O)C1=C(C)C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)C(C)O)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O,"InChI=1/C34H36N4O6.ClH/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);1H",C34H38N4O6.xClH,,,,,,AZPIQIYLZOHCJE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.705,241-492-9,17477-29-1,Chlorodimethylpropylsilane,chloro(dimethyl)propylsilane,CCC[Si](C)(C)Cl,CCC[Si](C)(C)Cl,"InChI=1/C5H13ClSi/c1-4-5-7(2,3)6/h4-5H2,1-3H3",C5H13ClSi,,,,,,HXVPUKPVLPTVCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.709,241-497-6,17481-27-5,3-amino-4-methoxybenzamide,3-amino-4-methoxybenzamide,COc1ccc(cc1N)C(=O)N,COc1ccc(cc1N)C(=O)N,"InChI=1/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)",C8H10N2O2,,,,,,INCJNDAQNPWMPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.914,237-321-2,13746-60-6,"Exo-2-methoxy-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol","2-methoxy-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1cccc(C2CC3CCC2(C)C3(C)C)c1O,COc1cccc(C2CC3CCC2(C)C3(C)C)c1O,"InChI=1/C17H24O2/c1-16(2)11-8-9-17(16,3)13(10-11)12-6-5-7-14(19-4)15(12)18/h5-7,11,13,18H,8-10H2,1-4H3",C17H24O2,,,,,,YPUMYHHWYPOEPH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.151,244-183-7,21059-40-5,Methyl 3a-[(ethoxycarbonyl)oxy]-12a-hydroxy-7-oxo-5ß-cholan-24-oate,methyl 3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxocholan-24-oate,CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)[C@@H](O)C[C@H]23,CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)[C@@H](O)C[C@H]23,"InChI=1/C28H44O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-21,23,25,30H,6-15H2,1-5H3",C28H44O7,,,,,,JSTLLHLKEQTGOF-MKJFDHOESA-N,,,,,,,,,,,
100.040.158,244-191-0,21071-28-3,"1,3-(dihexyl)thiourea","1,3-dihexylthiourea",CCCCCCNC(=S)NCCCCCC,CCCCCCNC(=S)NCCCCCC,"InChI=1/C13H28N2S/c1-3-5-7-9-11-14-13(16)15-12-10-8-6-4-2/h3-12H2,1-2H3,(H2,14,15,16)",C13H28N2S,,,,,,CYYJFWJNIQDCLT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.159,244-192-6,21071-31-8,Tris(2-hydroxyethyl)ammonium dihydrogen phosphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium dihydrogen phosphate",OCC[NH+](CCO)CCO.[O-]P(=O)([O-])[O-],OCC[NH+](CCO)CCO.[O-]P(=O)([O-])[O-],"InChI=1/C6H15NO3.H3O4P/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4/h8-10H,1-6H2;(H3,1,2,3,4)/p-2",C6H15NO3.H3O4P,,,,,,NHFDKKSSQWCEES-UHFFFAOYSA-L,,,,,,,,,,,
100.040.161,244-194-7,21073-99-4,"Stearic acid, compound with ethane-1,2-diamine (2:1)","octadecanoic acid - ethane-1,2-diamine (2:1)",CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.NCCN,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.NCCN,"InChI=1/2C18H36O2.C2H8N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2*2-17H2,1H3,(H,19,20);1-4H2",C18H36O2.1/2C2H8N2,,,,,,KCWGHIAGIBAKFB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.166,244-199-4,21080-93-3,Benzyl hydrogen 3-thienylmalonate,3-(benzyloxy)-3-oxo-2-(3-thienyl)propanoic acid,OC(=O)C(C(=O)OCc1ccccc1)c2ccsc2,OC(=O)C(C(=O)OCc1ccccc1)c2ccsc2,"InChI=1/C14H12O4S/c15-13(16)12(11-6-7-19-9-11)14(17)18-8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,15,16)",C14H12O4S,,,,,,BCYTTWDACSKYHU-UHFFFAOYSA-N,,,,,,,,,,,
100.040.167,244-200-8,21081-74-3,1-chloro-2-(methylsulphonyl)-4-nitrobenzene,1-chloro-2-(methylsulfonyl)-4-nitrobenzene,CS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-],CS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3",C7H6ClNO4S,,,,,,XYJJSLMPHYYITA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.778,243-773-1,20380-56-7,Ethyl cis-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,CCOC(=O)[C@]1(CCC=C[C@H]1N(C)C)c2ccccc2,CCOC(=O)[C@]1(CCC=C[C@H]1N(C)C)c2ccccc2,"InChI=1/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3",C17H23NO2,,,,,,WDEFBBTXULIOBB-NVXWUHKLSA-N,,,,,,,,,,,
100.039.783,243-778-9,20387-39-7,"1,1'-(hexamethylenedioxy)bis(3-chloropropan-2-ol)",1-chloro-3-{[6-(3-chloro-2-hydroxypropoxy)hexyl]oxy}propan-2-ol (non-preferred name),OC(CCl)COCCCCCCOCC(O)CCl,OC(CCl)COCCCCCCOCC(O)CCl,"InChI=1/C12H24Cl2O4/c13-7-11(15)9-17-5-3-1-2-4-6-18-10-12(16)8-14/h11-12,15-16H,1-10H2",C12H24Cl2O4,,,,,,LBJXEKNHZKWYDM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.791,243-787-8,20403-06-9,Samarium trihydroxide,-,[OH-].[OH-].[OH-].[Sm+2],[OH-].[OH-].[OH-].[Sm+2],InChI=1/3H2O.Sm/h3*1H2;/q;;;+2/p-3,H3O3Sm,,,,,,FKTZWYOWLWZTEI-UHFFFAOYSA-K,,,,,,,,,,,
100.039.798,243-795-1,20405-61-2,"D-gluconic acid, compound with 2-aminoethanol (1:1)",2-aminoethanol - D-gluconic acid (1:1),NCCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,NCCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C6H12O7.C2H7NO/c7-1-2(8)3(9)4(10)5(11)6(12)13;3-1-2-4/h2-5,7-11H,1H2,(H,12,13);4H,1-3H2",C6H12O7.C2H7NO,,,,,,HBOFLISMNXEFQN-JJKGCWMISA-N,,,,,,,,,,,
100.039.804,243-801-2,20416-08-4,Methyl 5-benzyl-3-furoate,methyl 5-benzyl-3-furoate,COC(=O)c1coc(Cc2ccccc2)c1,COC(=O)c1coc(Cc2ccccc2)c1,"InChI=1/C13H12O3/c1-15-13(14)11-8-12(16-9-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3",C13H12O3,,,,,,DGEHQARARXBTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.805,243-802-8,20416-09-5,5-benzyl-3-furylmethanol,(5-benzyl-3-furyl)methanol,OCc1coc(Cc2ccccc2)c1,OCc1coc(Cc2ccccc2)c1,"InChI=1/C12H12O2/c13-8-11-7-12(14-9-11)6-10-4-2-1-3-5-10/h1-5,7,9,13H,6,8H2",C12H12O2,,,,,,AFEOKIGLYCQHAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.806,243-803-3,20416-12-0,"Ethyl 2-benzyl-1,3-dioxolane-2-propionate","ethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate",CCOC(=O)CCC1(Cc2ccccc2)OCCO1,CCOC(=O)CCC1(Cc2ccccc2)OCCO1,"InChI=1/C15H20O4/c1-2-17-14(16)8-9-15(18-10-11-19-15)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3",C15H20O4,,,,,,XHEBDDMCCQGYRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.810,243-808-0,20423-87-4,Meladrazine (+)-tartrate,"N,N,N',N'-tetraethyl-6-hydrazino-1,3,5-triazine-2,4-diamine 2,3-dihydroxysuccinate (salt)",CCN(CC)c1nc(NN)nc(n1)N(CC)CC.OC(C(O)C(=O)O)C(=O)O,CCN(CC)c1nc(NN)nc(n1)N(CC)CC.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C11H23N7.C4H6O6/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4;5-1(3(7)8)2(6)4(9)10/h5-8,12H2,1-4H3,(H,13,14,15,16);1-2,5-6H,(H,7,8)(H,9,10)",C11H23N7.C4H6O6,,,,,,VYNYHQSBWOQQSB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.396,247-752-8,26509-71-7,"(E)-3,7-dimethylocta-3,6-dienenitrile","3,7-dimethylocta-3,6-dienenitrile",CC(=CC\\C=C(/C)\\CC#N)C,CC(=CC\C=C(/C)\CC#N)C,"InChI=1/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5-6H,4,7H2,1-3H3",C10H15N,,,,,,LNWFHUTYUOYNBG-UXBLZVDNSA-N,,,,,,,,,,,
100.043.398,247-754-9,26511-61-5,"Butyl 3,3-bis[(tert-butyl)dioxy]butyrate","butyl 3,3-bis(tert-butylperoxy)butanoate",CCCCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C,CCCCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1/C16H32O6/c1-9-10-11-18-13(17)12-16(8,21-19-14(2,3)4)22-20-15(5,6)7/h9-12H2,1-8H3",C16H32O6,,,,,,FGTGLSICSXCNJM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.926,236-234-7,13250-96-9,"Ethyl 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylate","ethyl 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylate",CCOC(=O)c1cnc2nc(C)ccc2c1O,CCOC(=O)c1cnc2nc(C)ccc2c1O,"InChI=1/C12H12N2O3/c1-3-17-12(16)9-6-13-11-8(10(9)15)5-4-7(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,15)",C12H12N2O3,,,,,,KPXWNJGVBKCXKB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.519,239-087-7,14998-38-0,"Formic acid, manganese salt",-,[Mn].OC=O,[Mn].OC=O,"InChI=1/CH2O2.Mn/c2-1-3;/h1H,(H,2,3);/q;+2",CH2O2.xMn,,,,,,HYFPVPNWNRFTMP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.523,239-091-9,14999-74-7,Diethylammonium perchlorate,N-ethylethanaminium perchlorate,CC[NH2+]CC.[O-]Cl(=O)(=O)=O,CC[NH2+]CC.[O-]Cl(=O)(=O)=O,"InChI=1/C4H11N.ClHO4/c1-3-5-4-2;2-1(3,4)5/h5H,3-4H2,1-2H3;(H,2,3,4,5)",C4H11N.ClHO4,,,,,,SULORKHFCYQSPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.531,239-100-6,15015-81-3,Sodium hexadecane-1-sulphonate,sodium hexadecane-1-sulphonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-],"InChI=1/6C10H22O3S.6Na/c6*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;;;/h6*2-10H2,1H3,(H,11,12,13);;;;;;/q;;;;;;6*+1/p-6",C16H34O3S.Na,,,,,,WDAUHVCKBXGWBW-UHFFFAOYSA-H,,,,,,,,,,,
100.035.533,239-102-7,15017-02-4,"N,N'-bis(2-methylphenyl)benzene-1,4-diamine","N,N'-bis(2-methylphenyl)benzene-1,4-diamine",Cc1ccccc1Nc2ccc(Nc3ccccc3C)cc2,Cc1ccccc1Nc2ccc(Nc3ccccc3C)cc2,"InChI=1/C20H20N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14,21-22H,1-2H3",C20H20N2,,,,,,MDZBMZIJIUEQJS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.541,239-111-6,15029-30-8,1-(cyanoacetyl)piperidine,3-oxo-3-piperidin-1-ylpropanenitrile,O=C(CC#N)N1CCCCC1,O=C(CC#N)N1CCCCC1,"InChI=1/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2",C8H12N2O,,,,,,ANLQHFYDQPMDJY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.546,239-116-3,15042-77-0,tert-butyl monoperphthalate,2-[(tert-butylperoxy)carbonyl]benzoic acid,CC(C)(C)OOC(=O)c1ccccc1C(=O)O,CC(C)(C)OOC(=O)c1ccccc1C(=O)O,"InChI=1/C12H14O5/c1-12(2,3)17-16-11(15)9-7-5-4-6-8(9)10(13)14/h4-7H,1-3H3,(H,13,14)",C12H14O5,,,,,,UQSXEMVUGMPGLS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.552,239-123-1,15057-98-4,2-methoxyphenyl nicotinate,2-methoxyphenyl nicotinate,COc1ccccc1OC(=O)c2cccnc2,COc1ccccc1OC(=O)c2cccnc2,"InChI=1/C13H11NO3/c1-16-11-6-2-3-7-12(11)17-13(15)10-5-4-8-14-9-10/h2-9H,1H3",C13H11NO3,,,,,,KVPUDAXRVGUATI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.554,239-125-2,15060-62-5,Nickel selenate,nickel(2+) selenate,[Ni+2].[O-][Se](=O)(=O)[O-],[Ni+2].[O-][Se](=O)(=O)[O-],"InChI=1/Ni.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",H2O4Se.Ni,,,,,,WCSBABHZOSWARI-UHFFFAOYSA-L,,,,,,,,,,,
100.035.559,239-131-5,15075-50-0,2-[2-(allyloxy)ethoxy]ethanol,2-[2-(allyloxy)ethoxy]ethanol,OCCOCCOCC=C,OCCOCCOCC=C,"InChI=1/C7H14O3/c1-2-4-9-6-7-10-5-3-8/h2,8H,1,3-7H2",C7H14O3,,,,,,DIOZVWSHACHNRT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.560,239-132-0,15075-85-1,Sodium (Z)-octadec-9-ene-1-sulphonate,sodium octadec-9-ene-1-sulfonate,[Na+].CCCCCCCC\\C=C/CCCCCCCCS(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCCS(=O)(=O)[O-],"InChI=1/C18H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1",C18H36O3S.Na,,,,,,HDRLZNWDSGYGBZ-KVVVOXFISA-M,,,,,,,,,,,
100.035.566,239-138-3,15086-94-9,"2-(3,6-dihydroxy-2,4,5,7-tetrabromoxanthen-9-yl)-benzoic acid","2-(2,4,5,7-tetrabromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid",OC(=O)c1ccccc1C2c3cc(Br)c(O)c(Br)c3Oc4c(Br)c(O)c(Br)cc24,OC(=O)c1ccccc1C2c3cc(Br)c(O)c(Br)c3Oc4c(Br)c(O)c(Br)cc24,"InChI=1/C20H10Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,13,25-26H,(H,27,28)",C20H8Br4O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5975,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.566,XAWMDMJHGFRFOV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.555,235-826-2,12788-93-1,"Phosphoric acid, butyl ester",butyl dihydrogen phosphate,CCCCOP(=O)(O)O,CCCCOP(=O)(O)O,"InChI=1/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10566,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.555,BNMJSBUIDQYHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.561,235-833-0,13001-28-0,1-chloro-4-(2-chloroethoxy)benzene,1-chloro-4-(2-chloroethoxy)benzene,ClCCOc1ccc(Cl)cc1,ClCCOc1ccc(Cl)cc1,"InChI=1/C8H8Cl2O/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2",C8H8Cl2O,,,,,,DFJCCNZMGVNBKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.564,235-836-7,13001-40-6,"4,4'-(p-phenylenediethene-2,1-diyl)bisbenzonitrile","4,4'-(1,4-phenylenediethene-2,1-diyl)dibenzonitrile",N#Cc1ccc(cc1)C=Cc3ccc(C=Cc2ccc(C#N)cc2)cc3,N#Cc1ccc(cc1)C=Cc3ccc(C=Cc2ccc(C#N)cc2)cc3,InChI=1/C24H16N2/c25-17-23-13-9-21(10-14-23)7-5-19-1-2-20(4-3-19)6-8-22-11-15-24(18-26)16-12-22/h1-16H,C24H16N2,,,,,,KIAAMJMIIHTGBH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.566,235-838-8,13002-08-9,"1,1'-[ethylidenebis(oxy)]bispentane","1,1'-[ethane-1,1-diylbis(oxy)]dipentane",CCCCCOC(C)OCCCCC,CCCCCOC(C)OCCCCC,"InChI=1/C12H26O2/c1-4-6-8-10-13-12(3)14-11-9-7-5-2/h12H,4-11H2,1-3H3",C12H26O2,,,,,,MIAGHUUTGZIIJW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.568,235-840-9,13002-13-6,"1,1'-[propylidenebis(oxy)]bis(3-methylbutane)","1,1'-[propane-1,1-diylbis(oxy)]bis(3-methylbutane)",CCC(OCCC(C)C)OCCC(C)C,CCC(OCCC(C)C)OCCC(C)C,"InChI=1/C13H28O2/c1-6-13(14-9-7-11(2)3)15-10-8-12(4)5/h11-13H,6-10H2,1-5H3",C13H28O2,,,,,,MQOHVHXEZYLDJW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.438,242-298-7,18420-09-2,"1,3-diethoxy-1,1,3,3-tetramethyldisiloxane","1,3-diethoxy-1,1,3,3-tetramethyldisiloxane",CCO[Si](C)(C)O[Si](C)(C)OCC,CCO[Si](C)(C)O[Si](C)(C)OCC,"InChI=1/C8H22O3Si2/c1-7-9-12(3,4)11-13(5,6)10-8-2/h7-8H2,1-6H3",C8H22O3Si2,,,,,,NPOYZXWZANURMM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.440,242-300-6,18423-69-3,"Tetrahydro-3,4-dipiperonylfuran-2-ol","3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol",OC1OCC(Cc2ccc3OCOc3c2)C1Cc4ccc5OCOc5c4,OC1OCC(Cc2ccc3OCOc3c2)C1Cc4ccc5OCOc5c4,"InChI=1/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2",C20H20O6,,,,,,DIYWRNLYKJKHAM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.873,236-176-2,13209-15-9,"a,a,a',a'-tetrabromo-o-xylene","1,2-bis(dibromomethyl)benzene",BrC(Br)c1ccccc1C(Br)Br,BrC(Br)c1ccccc1C(Br)Br,"InChI=1/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H",C8H6Br4,,,,,,LNAOKZKISWEZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.377,237-829-4,14014-88-1,Ruthenium tribromide,-,[Br-].[Br-].[Br-].[Ru+2],[Br-].[Br-].[Br-].[Ru+2],InChI=1/3BrH.Ru/h3*1H;/q;;;+2/p-3,Br3Ru,,,,,,WAFITEVSKCKRLU-UHFFFAOYSA-K,,,,,,,,,,,
100.034.380,237-833-6,14017-39-1,Iron(2+) disulphamate,iron(2+) disulfamate,[Fe+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Fe+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Fe.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",Fe.2H3NO3S,,,,,,SQZYOZWYVFYNFV-UHFFFAOYSA-L,,,,,,,,,,,
100.034.383,237-836-2,14017-47-1,Cerium(3+) perchlorate,cerium(3+) triperchlorate,[Ce+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Ce+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/Ce.3ClHO4/c;3*2-1(3,4)5/h;3*(H,2,3,4,5)/q+3;;;/p-3",Ce.3ClHO4,,,,,,LJBTWTBUIINKRU-UHFFFAOYSA-K,,,,,,,,,,,
100.034.384,237-837-8,14017-52-8,Gadolinium(3+) perchlorate,gadolinium triperchlorate,[Gd+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Gd+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Gd/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Gd,,,,,,HYBHAIGYQVICOT-UHFFFAOYSA-K,,,,,,,,,,,
100.038.020,241-838-9,17895-40-8,"p-[(4,6-diamino-m-tolyl)azo]benzenesulphonic acid","4-[(2,4-diamino-5-methylphenyl)diazenyl]benzenesulfonic acid",OS(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1N)cc2,OS(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1N)cc2,"InChI=1/C13H14N4O3S/c1-8-6-13(12(15)7-11(8)14)17-16-9-2-4-10(5-3-9)21(18,19)20/h2-7H,14-15H2,1H3,(H,18,19,20)",C13H14N4O3S,,,,,,HKOIFYLIHVRRCI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.021,241-839-4,17895-45-3,"4,4',4''-[(2,4-diaminobenzene-1,3,5-triyl)tris(azo)]tris(benzenesulphonic) acid","4,4',4''-[(2,4-diaminobenzene-1,3,5-triyl)tridiazene-2,1-diyl]tribenzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N=Nc4cc(N=Nc2ccc(cc2)S(O)(=O)=O)c(N)c(N=Nc3ccc(cc3)S(O)(=O)=O)c4N,OS(=O)(=O)c1ccc(cc1)N=Nc4cc(N=Nc2ccc(cc2)S(O)(=O)=O)c(N)c(N=Nc3ccc(cc3)S(O)(=O)=O)c4N,"InChI=1/C24H20N8O9S3/c25-22-20(30-27-14-1-7-17(8-2-14)42(33,34)35)13-21(31-28-15-3-9-18(10-4-15)43(36,37)38)23(26)24(22)32-29-16-5-11-19(12-6-16)44(39,40)41/h1-13H,25-26H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)",C24H20N8O9S3,,,,,,REBCXGWJUSDORQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.025,241-844-1,17900-68-4,"2,4-dihydro-4,5-dimethyl-2-phenyl-3H-pyrazol-3-one","4,5-dimethyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CC1C(=NN(C1=O)c2ccccc2)C,CC1C(=NN(C1=O)c2ccccc2)C,"InChI=1/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-8H,1-2H3",C11H12N2O,,,,,,BQCMHLUBBYCYFL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.026,241-845-7,17901-09-6,Antimony hydroxyacetate,antimony(3+) tris(hydroxyacetate),[SbH3+3].OCC(=O)[O-].OCC(=O)[O-].OCC(=O)[O-],[SbH3+3].OCC(=O)[O-].OCC(=O)[O-].OCC(=O)[O-],"InChI=1/3C2H4O3.Sb.3H/c3*3-1-2(4)5;;;;/h3*3H,1H2,(H,4,5);;;;/q;;;+3;;;/p-3/r3C2H4O3.H3Sb/c3*3-1-2(4)5;/h3*3H,1H2,(H,4,5);1H3/q;;;+3/p-3",C2H4O3.xSb,,,,,,CNVXRAURRQMFAR-UHFFFAOYSA-K,,,,,,,,,,,
100.038.032,241-852-5,17907-81-2,"6,6-bis(2-methoxyethoxy)oxiran-11-yl-2,5,10-trioxa-6-silaundecane","6-(2-methoxyethoxy)-6-[3-(oxiran-2-ylmethoxy)propyl]-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](CCCOCC1CO1)(OCCOC)OCCOC,COCCO[Si](CCCOCC1CO1)(OCCOC)OCCOC,"InChI=1/C15H32O8Si/c1-16-6-9-21-24(22-10-7-17-2,23-11-8-18-3)12-4-5-19-13-15-14-20-15/h15H,4-14H2,1-3H3",C15H32O8Si,,,,,,CESKYMDZTHKIPO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.034,241-854-6,17909-77-2,"(E,E,E)-2,6,10-trimethyldodeca-2,6,9,11-tetraen-1-al","2,6,10-trimethyldodeca-2,6,9,11-tetraenal",C\\C(=C/C\\C=C(/C)\\C=C)\\CC\\C=C(/C)\\C=O,C\C(=C/C\C=C(/C)\C=C)\CC\C=C(/C)\C=O,"InChI=1/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3",C15H22O,,,,,,PFSTYGCNVAVZBK-JQGMZEBDSA-N,,,,,,,,,,,
100.038.035,241-855-1,17911-61-4,Cyclohexylammonium sulphate (2:1),dicyclohexanaminium sulfate,[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.[O-]S(=O)(=O)[O-],[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H13N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*6H,1-5,7H2;(H2,1,2,3,4)",C6H13N.1/2H2O4S,,,,,,WZBMSCFCEJIJSE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.036,241-856-7,17912-87-7,"3-[(6-deoxy-a-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one","5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxyhexopyranoside",CC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C1O,CC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C1O,"InChI=1/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3",C21H20O12,,,,,,DCYOADKBABEMIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.923,237-331-7,13749-61-6,N-isopropylmethacrylamide,N-isopropyl-2-methylacrylamide,CC(C)NC(=O)C(=C)C,CC(C)NC(=O)C(=C)C,"InChI=1/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)",C7H13NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5438,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.923,YQIGLEFUZMIVHU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.924,237-332-2,13749-94-5,Methyl N-hydroxythioimidoacetate,methyl N-hydroxyethanimidothioate,C/C(=N\\O)SC,C/C(=N\O)SC,"InChI=1/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3",C3H7NOS,,,,,,TYEVWCPZVQACAE-ONEGZZNKSA-N,,,,,,,,,,,
100.033.931,237-340-6,13755-29-8,Sodium tetrafluoroborate,sodium tetrafluoroborate,[Na+].F[B-](F)(F)F,[Na+].F[B-](F)(F)F,"InChI=1/BF4.Na/c2-1(3,4)5;/q-1;+1",BF4.Na,,,,,,KGJZTOFHXCFQIV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.940,237-350-0,13759-89-2,Ytterbium tribromide,-,[Br-].[Br-].[Br-].[Yb+2],[Br-].[Br-].[Br-].[Yb+2],InChI=1/3BrH.Yb.2H/h3*1H;;;/q;;;+2;;/p-3/r3BrH.H2Yb/h3*1H;1H2/q;;;+2/p-3,Br3Yb,,,,,,IEIDRBCDSZSCAP-UHFFFAOYSA-K,,,,,,,,,,,
100.033.941,237-351-6,13759-90-5,Europium triiodide,-,[I-].[I-].[I-].[Eu+2],[I-].[I-].[I-].[Eu+2],InChI=1/Eu.3HI/h;3*1H/q+2;;;/p-3,EuI3,,,,,,NIMSYOOAANPECK-UHFFFAOYSA-K,,,,,,,,,,,
100.033.942,237-352-1,13760-78-6,Holmium trifluoride,holmium trifluoride,[F-].[F-].[F-].[Ho+3],[F-].[F-].[F-].[Ho+3],InChI=1/3FH.Ho/h3*1H;/q;;;+3/p-3,F3Ho,,,,,,FDIFPFNHNADKFC-UHFFFAOYSA-K,,,,,,,,,,,
100.033.944,237-354-2,13760-80-0,Ytterbium trifluoride,-,[F-].[F-].[F-].[Yb+2],[F-].[F-].[F-].[Yb+2],InChI=1/3FH.Yb.2H/h3*1H;;;/q;;;+2;;/p-3/r3FH.H2Yb/h3*1H;1H2/q;;;+2/p-3,F3Yb,,,,,,FWEFQNVLERQZMV-UHFFFAOYSA-K,,,,,,,,,,,
100.033.946,237-356-3,13760-83-3,Erbium trifluoride,erbium trifluoride,[F-].[F-].[F-].[Er+3],[F-].[F-].[F-].[Er+3],InChI=1/Er.3FH/h;3*1H/q+3;;;/p-3,ErF3,,,,,,QGJSAGBHFTXOTM-UHFFFAOYSA-K,,,,,,,,,,,
100.033.954,237-365-2,13765-03-2,Lithium iodate,lithium iodate,[Li+].[O-]I(=O)=O,[Li+].[O-]I(=O)=O,"InChI=1/HIO3.Li/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",HIO3.Li,,,,,,FZAXZVHFYFGNBX-UHFFFAOYSA-M,,,,,,,,,,,
100.033.959,237-371-5,13765-35-0,Tetraammonium pyrophosphate,tetraammonium diphosphate,[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])OP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/4H3N.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h4*1H3;(H2,1,2,3)(H2,4,5,6)",H4O7P2.4H3N,,,,,,VKFFEYLSKIYTSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.960,237-372-0,13765-36-1,Ammonium sulphamate,ammonium sulfamate,[NH4+].NS(=O)(=O)[O-],[NH4+].NS(=O)(=O)[O-],"InChI=1/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3",H3NO3S.xH3N,,,,,,GEHMBYLTCISYNY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.594,241-371-0,17347-61-4,"Dihydro-3,3-dimethylfuran-2,5-dione","3,3-dimethyldihydrofuran-2,5-dione",CC1(C)CC(=O)OC1=O,CC1(C)CC(=O)OC1=O,"InChI=1/C6H8O3/c1-6(2)3-4(7)9-5(6)8/h3H2,1-2H3",C6H8O3,,,,,,ACJPFLIEHGFXGP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.595,241-372-6,17347-95-4,Lithium hexafluorosilicate,dilithium hexafluorosilicate,[Li+].[Li+].F[Si-2](F)(F)(F)(F)F,[Li+].[Li+].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.2Li/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Si.2Li,,,,,,QSDQCOGGZWIADS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.603,241-381-5,17354-63-1,p-(2-nitropropenyl)anisole,1-methoxy-4-(2-nitroprop-1-en-1-yl)benzene,COc1ccc(C=C(C)[N+]([O-])=O)cc1,COc1ccc(C=C(C)[N+]([O-])=O)cc1,"InChI=1/C10H11NO3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3",C10H11NO3,,,,,,XQGFRDLMKKKSAH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.608,241-386-2,17356-30-8,Sodium hydrogen azelate,hydrogen sodium azelaate,[Na+].[O-]C(=O)CCCCCCCC(=O)[O-],[Na+].[O-]C(=O)CCCCCCCC(=O)[O-],"InChI=1/C9H16O4.Na/c10-8(11)6-4-2-1-3-5-7-9(12)13;/h1-7H2,(H,10,11)(H,12,13);/q;+1/p-2",C9H16O4.Na,,,,,,KITSBOHZGUHIOU-UHFFFAOYSA-L,,,,,,,,,,,
100.037.615,241-394-6,17363-02-9,Ammonium hexabromoplatinate,diammonium hexabromoplatinate(2-),[NH4+].[NH4+].Br[Pt-2](Br)(Br)(Br)(Br)Br,[NH4+].[NH4+].Br[Pt-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.2H3N.Pt/h6*1H;2*1H3;/q;;;;;;;;+4/p-4/rBr6Pt.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",Br6Pt.2H4N,,,,,,YLDMEZNZYLWNNL-UHFFFAOYSA-J,,,,,,,,,,,
100.037.621,241-400-7,17369-09-4,N-octadecyl-p-toluenesulphonamide,4-methyl-N-octadecylbenzenesulfonamide,CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1,CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1,"InChI=1/C25H45NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29(27,28)25-21-19-24(2)20-22-25/h19-22,26H,3-18,23H2,1-2H3",C25H45NO2S,,,,,,WCUBBMIUIPEPOH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.502,235-766-7,12673-39-1,"Silicic acid, iron salt",iron(2+) oxosilanediolate,[Fe+2].[O-][Si](=O)[O-],[Fe+2].[O-][Si](=O)[O-],InChI=1/Fe.O3Si/c;1-4(2)3/q+2;-2,-,,,,,,FODLPBMIZWWYLG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.309,237-755-2,13973-51-8,Trisodium hydrogen [(dodecylimino)bis(methylene)]bisphosphonate,trisodium hydrogen [(dodecylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;;/q;3*+1/p-4",C14H33NO6P2.3Na,,,,,,ZFCUMUWHVLBQBF-UHFFFAOYSA-J,,,,,,,,,,,
100.043.402,247-759-6,26523-78-4,Tris(nonylphenyl) phosphite,tris(2-nonylphenyl) phosphite,CCCCCCCCCc3ccccc3OP(Oc1ccccc1CCCCCCCCC)Oc2ccccc2CCCCCCCCC,CCCCCCCCCc3ccccc3OP(Oc1ccccc1CCCCCCCCC)Oc2ccccc2CCCCCCCCC,"InChI=1/C45H69O3P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)46-49(47-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)48-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3/h25-30,34-39H,4-24,31-33H2,1-3H3",C45H69O3P,,,,,,WGKLOLBTFWFKOD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.403,247-760-1,26530-03-0,5-chloro-2-methyl-2H-isothiazol-3-one hydrochloride,5-chloro-2-methylisothiazol-3(2H)-one hydrochloride,Cl.CN1SC(=CC1=O)Cl,Cl.CN1SC(=CC1=O)Cl,"InChI=1/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H",C4H4ClNOS.ClH,,,,,,RGVYUPIYFIVQDS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.409,247-766-4,26536-86-7,2-(diethylamino)ethyl acrylate hydrochloride,2-(diethylamino)ethyl acrylate hydrochloride,Cl.CCN(CC)CCOC(=O)C=C,Cl.CCN(CC)CCOC(=O)C=C,"InChI=1/C9H17NO2.ClH/c1-4-9(11)12-8-7-10(5-2)6-3;/h4H,1,5-8H2,2-3H3;1H",C9H17NO2.ClH,,,,,,JIFFDTCEOLTGAU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.410,247-768-5,26537-19-9,Methyl 4-tert-butylbenzoate,methyl 4-tert-butylbenzoate,COC(=O)c1ccc(cc1)C(C)(C)C,COC(=O)c1ccc(cc1)C(C)(C)C,"InChI=1/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3",C12H16O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7438,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.410,UPIJOAFHOIWPLT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.420,247-779-5,26544-27-4,"3,9-bis(isodecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane","3,9-bis[(1-methylnonyl)oxy]-1,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CCCCCCCCC(C)OP1COC2(CO1)COP(OC(C)CCCCCCCC)OC2,CCCCCCCCC(C)OP1COC2(CO1)COP(OC(C)CCCCCCCC)OC2,"InChI=1/C25H50O6P2/c1-5-7-9-11-13-15-17-23(3)30-32-22-26-25(19-27-32)20-28-33(29-21-25)31-24(4)18-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3",C25H50O6P2,,,,,,DZINNFAPCUPFRA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.428,247-787-9,26545-73-3,Dichloropropanol,"1,1-dichloropropan-1-ol",CCC(O)(Cl)Cl,CCC(O)(Cl)Cl,"InChI=1/C3H6Cl2O/c1-2-3(4,5)6/h6H,2H2,1H3",C3H6Cl2O,,,,,,XEPXTKKIWBPAEG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.430,247-790-5,26545-77-7,"1,4:3,6-dianhydro-D-glucitol monostearate","1,4:3,6-dianhydro-2-O-stearoyl-D-glucitol",CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,"InChI=1/C24H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)29-21-19-28-23-20(25)18-27-24(21)23/h20-21,23-25H,2-19H2,1H3",C24H44O5,,,,,,MNABXJPXVCQXEO-CBJLPSGESA-N,,,,,,,,,,,
100.043.431,247-791-0,26545-90-4,"Estra-1,3,5(10)-triene-3,17ß-diol mono(3-oxohexanoate)","17-hydroxyestra-1,3,5(10)-trien-3-yl 3-oxohexanoate",CCCC(=O)CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1,CCCC(=O)CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1,"InChI=1/C24H32O4/c1-3-4-16(25)14-23(27)28-17-6-8-18-15(13-17)5-7-20-19(18)11-12-24(2)21(20)9-10-22(24)26/h6,8,13,19-22,26H,3-5,7,9-12,14H2,1-2H3",C24H32O4,,,,,,VWKPKVRVHJSMKW-NTYLBUJVSA-N,,,,,,,,,,,
100.043.439,247-799-4,26553-47-9,Ethyl (E)-oct-3-enoate,ethyl oct-3-enoate,CCCC\\C=C\\CC(=O)OCC,CCCC\C=C\CC(=O)OCC,"InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h7-8H,3-6,9H2,1-2H3",C10H18O2,,,,,,BCMYNNIPTQUKAC-BQYQJAHWSA-N,,,,,,,,,,,
100.043.440,247-800-8,26555-35-1,"Thiocarbonic acid, anhydrosulphide with ethyl thiohypochlorite",{[(chlorosulfanyl)carbonyl]oxy}ethane,CCOC(=O)SCl,CCOC(=O)SCl,"InChI=1/C3H5ClO2S/c1-2-6-3(5)7-4/h2H2,1H3",C3H5ClO2S,,,,,,MDDRQVPVBIQMQV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.442,247-802-9,26555-92-0,Dimethylaminosulphinyl chloride,dimethylamidosulfurous chloride,CN(C)S(=O)Cl,CN(C)S(=O)Cl,InChI=1/C2H6ClNOS/c1-4(2)6(3)5/h1-2H3,C2H6ClNOS,,,,,,AFVJGYRAILXFPC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.062,247-384-8,25973-55-1,"2-(2H-benzotriazol-2-yl)-4,6-ditertpentylphenol","2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol",CCC(C)(C)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2,CCC(C)(C)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2,"InChI=1/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,1-6H3",C22H29N3O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5280,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.062,ZMWRRFHBXARRRT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.077,247-401-9,25999-31-9,"[2R-[2a[2S*(3R*,4S*,5S*,7R*)3S*,5S*],5a,6ß]]-6-[7-[5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-3-methylsalicylic acid","1,4:5,9-dianhydro-1-[7-(2-carboxy-3-hydroxy-4-methylphenyl)-1-ethyl-4-hydroxy-3,5-dimethyl-2-oxoheptyl]-2,3,6,7-tetradeoxy-4-ethyl-8-C-ethyl-2,9-dimethylnonitol",CCC(C1OC(CC)(CC1C)C2CCC(O)(CC)C(C)O2)C(=O)C(C)C(O)C(C)CCc3ccc(C)c(O)c3C(=O)O,CCC(C1OC(CC)(CC1C)C2CCC(O)(CC)C(C)O2)C(=O)C(C)C(O)C(C)CCc3ccc(C)c(O)c3C(=O)O,"InChI=1/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)",C34H54O8,,,,,,BBMULGJBVDDDNI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.084,247-409-2,26016-99-9,"Disodium (1R,2S)-(1,2-epoxypropyl)phosphonate",disodium (3-methyloxiran-2-yl)phosphonate,CC1OC1P(=O)(O[Na])O[Na],CC1OC1P(=O)(O[Na])O[Na],"InChI=1/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2/rC3H5Na2O4P/c1-2-3(7-2)10(6,8-4)9-5/h2-3H,1H3",C3H7O4P.2Na,,,,,,QZIQJIKUVJMTDG-UHFFFAOYSA-L,,,,,,,,,,,
100.032.584,235-858-7,13010-10-1,N'-nitro-N-pentyl-N-nitrosoguanidine,3-nitro-1-nitroso-1-pentylguanidine,CCCCCN(N=O)C(=N)N[N+](=O)[O-],CCCCCN(N=O)C(=N)N[N+](=O)[O-],"InChI=1/C6H13N5O3/c1-2-3-4-5-10(9-12)6(7)8-11(13)14/h2-5H2,1H3,(H2,7,8)",C6H13N5O3,,,,,,OKMNBMCHWAWZBL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.591,235-866-0,13013-02-0,Methyl 4-nitrobutyrate,methyl 4-nitrobutanoate,COC(=O)CCC[N+](=O)[O-],COC(=O)CCC[N+](=O)[O-],"InChI=1/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3",C5H9NO4,,,,,,UBSPKGKFFQKZJB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.596,235-871-8,13014-84-1,3-(diethylmethylsilyl)propylamine,3-[diethyl(methyl)silyl]propan-1-amine,CC[Si](C)(CC)CCCN,CC[Si](C)(CC)CCCN,"InChI=1/C8H21NSi/c1-4-10(3,5-2)8-6-7-9/h4-9H2,1-3H3",C8H21NSi,,,,,,LSSHHSHIJANGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.907,239-514-7,15486-34-7,"5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4-benzopyrone","5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one",COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)cc3,COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)cc3,"InChI=1/C18H16O6/c1-21-11-6-4-10(5-7-11)17-18(23-3)16(20)15-13(19)8-12(22-2)9-14(15)24-17/h4-9,19H,1-3H3",C18H16O6,,,,,,WSQWAMGRHJQANC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.916,239-524-1,15497-45-7,"N,N-dibutyl-1H-benzotriazole-1-methylamine",N-(1H-benzotriazol-1-ylmethyl)-N-butylbutan-1-amine,CCCCN(CCCC)Cn1nnc2ccccc12,CCCCN(CCCC)Cn1nnc2ccccc12,"InChI=1/C15H24N4/c1-3-5-11-18(12-6-4-2)13-19-15-10-8-7-9-14(15)16-17-19/h7-10H,3-6,11-13H2,1-2H3",C15H24N4,,,,,,CODGFEFCDWSFSV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.922,239-530-4,15500-60-4,"N,N-bis(trimethylsilyl)formamide","N,N-bis(trimethylsilyl)formamide",C[Si](C)(C)N(C=O)[Si](C)(C)C,C[Si](C)(C)N(C=O)[Si](C)(C)C,"InChI=1/C7H19NOSi2/c1-10(2,3)8(7-9)11(4,5)6/h7H,1-6H3",C7H19NOSi2,,,,,,FRCLVJBDJNNNGI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.925,239-534-6,15505-05-2,Hexasodium [nitrilotris(methylene)]trisphosphonate,hexasodium [nitrilotris(methylene)]tris(phosphonate),[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.6Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6",C3H12NO9P3.6Na,,,,,,NRNLPGTZUDJACV-UHFFFAOYSA-H,,,,,,,,,,,
100.035.927,239-536-7,15509-05-4,Hafnium tetranitrate,hafnium tetranitrate,[Hf+4].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Hf+4].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Hf.4NO3/c;4*2-1(3)4/q+4;4*-1,HNO3.1/4Hf,,,,,,TZNXTUDMYCRCAP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.928,239-537-2,15509-33-8,"5-hydroxytoluene-2,4-disulphonic acid","4-hydroxy-6-methylbenzene-1,3-disulfonic acid",Cc1cc(O)c(cc1S(=O)(=O)O)S(=O)(=O)O,Cc1cc(O)c(cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C7H8O7S2/c1-4-2-5(8)7(16(12,13)14)3-6(4)15(9,10)11/h2-3,8H,1H3,(H,9,10,11)(H,12,13,14)",C7H8O7S2,,,,,,VXBOGQDATFKUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.932,239-541-4,15513-16-3,N-cyclohexylpyridin-2-amine,N-cyclohexylpyridin-2-amine,C1CCC(CC1)Nc2ccccn2,C1CCC(CC1)Nc2ccccn2,"InChI=1/C11H16N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h4-5,8-10H,1-3,6-7H2,(H,12,13)",C11H16N2,,,,,,UUMQKWWKCDCMJS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.942,239-552-4,15518-87-3,Myralact,2-hydroxypropanoic acid - 2-(tetradecylamino)ethanol (1:1),CCCCCCCCCCCCCCNCCO.CC(O)C(=O)O,CCCCCCCCCCCCCCNCCO.CC(O)C(=O)O,"InChI=1/C16H35NO.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18;1-2(4)3(5)6/h17-18H,2-16H2,1H3;2,4H,1H3,(H,5,6)",C16H35NO.C3H6O3,,,,,,HLFJBIVEMZFFOG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.947,239-558-7,15521-18-3,2-(dimethylamino)propan-1-ol,2-(dimethylamino)propan-1-ol,CC(CO)N(C)C,CC(CO)N(C)C,"InChI=1/C5H13NO/c1-5(4-7)6(2)3/h5,7H,4H2,1-3H3",C5H13NO,,,,,,PBKGYWLWIJLDGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.950,239-561-3,15521-77-4,Sodium pyridine-3-sulphonate,sodium pyridine-3-sulfonate,[Na+].[O-]S(=O)(=O)c1cccnc1,[Na+].[O-]S(=O)(=O)c1cccnc1,"InChI=1/C5H5NO3S.Na/c7-10(8,9)5-2-1-3-6-4-5;/h1-4H,(H,7,8,9);/q;+1/p-1",C5H5NO3S.Na,,,,,,CQSNULMCHIOCCX-UHFFFAOYSA-M,,,,,,,,,,,
100.035.951,239-562-9,15522-59-5,Tetrabutylammonium tetraphenylborate,"N,N,N-tributylbutan-1-aminium tetraphenylborate(1-)",CCCC[N+](CCCC)(CCCC)CCCC.c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4,CCCC[N+](CCCC)(CCCC)CCCC.c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20B.C16H36N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-20H;5-16H2,1-4H3/q-1;+1",C24H20B.C16H36N,,,,,,ZHCCBGAUZWZGQV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.955,239-567-6,15525-45-8,Dilithium tetrachloropalladate(2-),dilithium tetrachloropalladate(2-),[Li+].[Li+].Cl[Pd-2](Cl)(Cl)Cl,[Li+].[Li+].Cl[Pd-2](Cl)(Cl)Cl,"InChI=1/4ClH.2Li.Pd/h4*1H;;;/q;;;;2*+1;+4/p-4/rCl4Pd.2Li/c1-5(2,3)4;;/q;2*+1",Cl4Pd.2Li,,,,,,CVYYJWVQORMAOY-UHFFFAOYSA-J,,,,,,,,,,,
100.032.930,236-238-9,13253-44-6,"5-[2-(methylthio)ethyl]imidazolidine-2,4-dione","5-[2-(methylsulfanyl)ethyl]imidazolidine-2,4-dione",CSCCC1NC(=O)NC1=O,CSCCC1NC(=O)NC1=O,"InChI=1/C6H10N2O2S/c1-11-3-2-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)",C6H10N2O2S,,,,,,SBKRXUMXMKBCLD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.037,241-857-2,17913-10-9,4-phenylpentan-2-one,4-phenylpentan-2-one,CC(CC(=O)C)c1ccccc1,CC(CC(=O)C)c1ccccc1,"InChI=1/C11H14O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3",C11H14O,,,,,,SYOVWIRLZABVDO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.046,241-867-7,17928-28-8,"1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane","1,1,1,3,5,5,5-heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane",C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C10H30O3Si4/c1-14(2,3)11-17(10,12-15(4,5)6)13-16(7,8)9/h1-10H3",C10H30O3Si4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11184,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.046,RGMZNZABJYWAEC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.051,241-872-4,17945-05-0,Ethyl 3-(triethoxysilyl)propylcarbamate,ethyl [3-(triethoxysilyl)propyl]carbamate,CCOC(=O)NCCC[Si](OCC)(OCC)OCC,CCOC(=O)NCCC[Si](OCC)(OCC)OCC,"InChI=1/C12H27NO5Si/c1-5-15-12(14)13-10-9-11-19(16-6-2,17-7-3)18-8-4/h5-11H2,1-4H3,(H,13,14)",C12H27NO5Si,,,,,,MVUXVDIFQSGECB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.052,241-874-5,17947-32-9,N-(p-anisyl)-3-hydroxy-4-(phenylazo)naphthalene-2-carboxamide,3-hydroxy-N-(4-methoxyphenyl)-4-(phenyldiazenyl)-2-naphthamide,COc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccccc3)c4O,COc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccccc3)c4O,"InChI=1/C24H19N3O3/c1-30-19-13-11-17(12-14-19)25-24(29)21-15-16-7-5-6-10-20(16)22(23(21)28)27-26-18-8-3-2-4-9-18/h2-15,28H,1H3,(H,25,29)",C24H19N3O3,,,,,,QJRPFHLNEGGALO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.060,241-882-9,17956-40-0,"Disodium pyridine-2,6-dicarboxylate","disodium pyridine-2,6-dicarboxylate",[Na+].[Na+].[O-]C(=O)c1cccc(n1)C(=O)[O-],[Na+].[Na+].[O-]C(=O)c1cccc(n1)C(=O)[O-],"InChI=1/C7H5NO4.2Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-3H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C7H5NO4.2Na,,,,,,UXIGLKSQMPZUGZ-UHFFFAOYSA-L,,,,,,,,,,,
100.034.042,237-461-4,13812-81-2,Distrontium diphosphate,distrontium diphosphate,[Sr+2].[Sr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Sr+2].[Sr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2H3O4P.2Sr/c2*1-5(2,3)4;;/h2*(H3,1,2,3,4);;/q;;2*+2/p-6",H4O7P2.2Sr,,,,,,SHIVTKANCUIFNY-UHFFFAOYSA-H,,,,,,,,,,,
100.034.048,237-468-2,13813-25-7,Samarium triiodide,-,[I-].[I-].[I-].[Sm+2],[I-].[I-].[I-].[Sm+2],InChI=1/3HI.Sm/h3*1H;/q;;;+2/p-3,I3Sm,,,,,,COIFNRRQLFYCBW-UHFFFAOYSA-K,,,,,,,,,,,
100.034.049,237-469-8,13813-40-6,Terbium triiodide,terbium(3+) triiodide,[I-].[I-].[I-].[Tb+3],[I-].[I-].[I-].[Tb+3],InChI=1/3HI.Tb/h3*1H;/q;;;+3/p-3,I3Tb,,,,,,OJXRJPFRTRETRN-UHFFFAOYSA-K,,,,,,,,,,,
100.034.051,237-471-9,13813-42-8,Erbium triiodide,erbium triiodide,[I-].[I-].[I-].[Er+3],[I-].[I-].[I-].[Er+3],InChI=1/Er.3HI/h;3*1H/q+3;;;/p-3,ErI3,,,,,,OKVQKDALNLHZLB-UHFFFAOYSA-K,,,,,,,,,,,
100.034.053,237-474-5,13813-44-0,Ytterbium triiodide,-,[I-].[I-].[I-].[Yb+2],[I-].[I-].[I-].[Yb+2],InChI=1/3HI.Yb.2H/h3*1H;;;/q;;;+2;;/p-3/r3HI.H2Yb/h3*1H;1H2/q;;;+2/p-3,I3Yb,,,,,,ZKLNOIZBGSUYNX-UHFFFAOYSA-K,,,,,,,,,,,
100.034.062,237-483-4,13814-87-4,Diammonium zinc disulphate,diammonium zinc disulphate,[NH4+].[NH4+].[Zn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[Zn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2H3N.2H2O4S.Zn/c;;2*1-5(2,3)4;/h2*1H3;2*(H2,1,2,3,4);/q;;;;+2/p-2",H3N.H2O4S.1/2Zn,,,,,,CHORECZHRAUKSW-UHFFFAOYSA-L,,,,,,,,,,,
100.034.070,237-492-3,13816-33-6,4-isopropylbenzonitrile,4-isopropylbenzonitrile,CC(C)c1ccc(cc1)C#N,CC(C)c1ccc(cc1)C#N,"InChI=1/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3",C10H11N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17211,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.070,YFDJCWXBKWRDPW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.072,237-494-4,13818-75-2,Gadolinium tribromide,gadolinium tribromide,[Br-].[Br-].[Br-].[Gd+3],[Br-].[Br-].[Br-].[Gd+3],InChI=1/3BrH.Gd/h3*1H;/q;;;+3/p-3,Br3Gd,,,,,,KGOKDPWKDBWITQ-UHFFFAOYSA-K,,,,,,,,,,,
100.034.079,237-502-6,13820-53-6,Disodium tetrachloropalladate,disodium tetrachloropalladate,[Na+].[Na+].Cl[Pd-](Cl)(Cl)Cl.Cl[Pd-](Cl)(Cl)Cl,[Na+].[Na+].Cl[Pd-](Cl)(Cl)Cl.Cl[Pd-](Cl)(Cl)Cl,"InChI=1/8ClH.2Na.2Pd/h8*1H;;;;/q;;;;;;;;2*+1;2*+4/p-8/r2Cl4Pd.2Na/c2*1-5(2,3)4;;/q;;2*+1",Cl4Pd.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18593,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.079,OGLLHCHHUHQQON-UHFFFAOYSA-F,,,,,,,,,,,
100.034.090,237-514-1,13823-29-5,Thorium tetranitrate,thorium tetranitrate,[Th+2].[Th+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Th+2].[Th+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/4NO3.2Th/c4*2-1(3)4;;/q4*-1;2*+2,HNO3.1/4Th,,,,,,QEHQSJAHFCGBSB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.445,242-305-3,18428-88-1,Chlorohydroxyoxozirconium,chloro(hydroxy)oxozirconium,O[Zr](=O)Cl,O[Zr](=O)Cl,InChI=1/ClH.H2O.O.Zr/h1H;1H2;;/q;;;+2/p-2/rClHO2Zr/c1-4(2)3/h2H,ClHO2Zr,,,,,,YOQYDNRCOCRHGK-UHFFFAOYSA-L,,,,,,,,,,,
100.038.449,242-310-0,18434-08-7,"4,4'''-bis[(2-butyloctyl)oxy]-1,1':4',1'':4'',1'''-quaterphenyl","4,4'''-bis[(2-butyloctyl)oxy]-1,1':4',1'':4'',1'''-quaterphenyl",CCCCCCC(CCCC)COc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(OCC(CCCC)CCCCCC)cc4,CCCCCCC(CCCC)COc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(OCC(CCCC)CCCCCC)cc4,"InChI=1/C48H66O2/c1-5-9-13-15-19-39(17-11-7-3)37-49-47-33-29-45(30-34-47)43-25-21-41(22-26-43)42-23-27-44(28-24-42)46-31-35-48(36-32-46)50-38-40(18-12-8-4)20-16-14-10-6-2/h21-36,39-40H,5-20,37-38H2,1-4H3",C48H66O2,,,,,,JMLYWQXLJYRYHL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.319,237-766-2,13980-04-6,"Hexahydro-1,3,5-trinitroso-1,3,5-triazine","1,3,5-trinitroso-1,3,5-triazinane",O=NN1CN(CN(C1)N=O)N=O,O=NN1CN(CN(C1)N=O)N=O,InChI=1/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2,C3H6N6O3,,,,,,HFWOSHMLDRSIDN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.320,237-767-8,13980-32-0,"(R*,R*)-10-acetoxy-9-hydroxyoctadecanoic acid",10-acetoxy-9-hydroxyoctadecanoic acid,CCCCCCCCC(OC(=O)C)C(O)CCCCCCCC(=O)O,CCCCCCCCC(OC(=O)C)C(O)CCCCCCCC(=O)O,"InChI=1/C20H38O5/c1-3-4-5-6-9-12-15-19(25-17(2)21)18(22)14-11-8-7-10-13-16-20(23)24/h18-19,22H,3-16H2,1-2H3,(H,23,24)",C20H38O5,,,,,,HLAIKHVEJBSLQS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.324,237-772-5,13983-17-0,Wollastonite (Ca(SiO3)),calcium oxosilanediolate,[Ca+2].[O-][Si](=O)[O-],[Ca+2].[O-][Si](=O)[O-],InChI=1/Ca.O3Si/c;1-4(2)3/q+2;-2,Ca.H2O3Si,,,,,,OYACROKNLOSFPA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.328,237-776-7,13984-57-1,Ethyl 4-acetylbutyrate,ethyl 5-oxohexanoate,CCOC(=O)CCCC(=O)C,CCOC(=O)CCCC(=O)C,"InChI=1/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3",C8H14O3,,,,,,MGPSIDGTLFKDEY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.335,237-784-0,13988-26-6,"3,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione","3,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione",O=C1OCCOCCOC(=O)c2ccccc12,O=C1OCCOCCOC(=O)c2ccccc12,"InChI=1/C12H12O5/c13-11-9-3-1-2-4-10(9)12(14)17-8-6-15-5-7-16-11/h1-4H,5-8H2",C12H12O5,,,,,,LZEGUDFMCKJMPX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.341,237-790-3,13990-54-0,Yttrium phosphate,yttrium phosphate,[Y+3].[O-]P(=O)([O-])[O-],[Y+3].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Y/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",H3O4P.Y,,,,,,UXBZSSBXGPYSIL-UHFFFAOYSA-K,,,,,,,,,,,
100.034.350,237-800-6,13998-76-0,"(methylimino)diethane-1,2-diyl distearate","(methylimino)diethane-2,1-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCCN(C)CCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCN(C)CCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C41H81NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-38-36-42(3)37-39-46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3",C41H81NO4,,,,,,TZMDJYBJDWYXPR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.351,237-801-1,13999-34-3,3-(tert-butylamino)-5-methylisoxazole,N-tert-butyl-5-methylisoxazol-3-amine,Cc1onc(NC(C)(C)C)c1,Cc1onc(NC(C)(C)C)c1,"InChI=1/C8H14N2O/c1-6-5-7(10-11-6)9-8(2,3)4/h5H,1-4H3,(H,9,10)",C8H14N2O,,,,,,HNVLZJHZDQYSQR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.711,241-499-7,17484-28-5,5-tert-butyl-m-toluic acid,3-tert-butyl-5-methylbenzoic acid,Cc1cc(cc(c1)C(C)(C)C)C(=O)O,Cc1cc(cc(c1)C(C)(C)C)C(=O)O,"InChI=1/C12H16O2/c1-8-5-9(11(13)14)7-10(6-8)12(2,3)4/h5-7H,1-4H3,(H,13,14)",C12H16O2,,,,,,KFTYUKLBWUVVPI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.725,241-514-7,17511-60-3,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl propionate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl propionate",CCC(=O)OC1CC2CC1C3CC=CC23,CCC(=O)OC1CC2CC1C3CC=CC23,"InChI=1/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3",C13H18O2,,,,,,BLBJUGKATXCWET-UHFFFAOYSA-N,,,,,,,,,,,
100.037.726,241-515-2,17511-61-4,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl butyrate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl butyrate",CCCC(=O)OC1CC2CC1C3CC=CC23,CCCC(=O)OC1CC2CC1C3CC=CC23,"InChI=1/C14H20O2/c1-2-4-14(15)16-13-8-9-7-12(13)11-6-3-5-10(9)11/h3,5,9-13H,2,4,6-8H2,1H3",C14H20O2,,,,,,HVEOFLOFUBUHEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.728,241-517-3,17518-43-3,(2-benzoyloxyethyl)trimethylammonium iodide,"2-(benzoyloxy)-N,N,N-trimethylethanaminium iodide",[I-].C[N+](C)(C)CCOC(=O)c1ccccc1,[I-].C[N+](C)(C)CCOC(=O)c1ccccc1,"InChI=1/C12H18NO2.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1",C12H18NO2.I,,,,,,XILQCEGWGBSDSH-UHFFFAOYSA-M,,,,,,,,,,,
100.037.729,241-518-9,17521-00-5,5-nitronaphthalene-1-sulphonic acid,5-nitronaphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc2c(cccc12)[N+](=O)[O-],OS(=O)(=O)c1cccc2c(cccc12)[N+](=O)[O-],"InChI=1/C10H7NO5S/c12-11(13)9-5-1-4-8-7(9)3-2-6-10(8)17(14,15)16/h1-6H,(H,14,15,16)",C10H7NO5S,,,,,,FTNWWQOFRQZWSC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.739,241-529-9,17528-28-8,2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl]ethyl heptanoate,2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl heptanoate,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C28H38ClN3O2S/c1-2-3-4-5-11-28(33)34-21-20-31-18-16-30(17-19-31)14-8-15-32-24-9-6-7-10-26(24)35-27-13-12-23(29)22-25(27)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3",C28H38ClN3O2S,,,,,,PWEGQJCIAMJJHC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.740,241-530-4,17534-15-5,"Benzene-1,2-dithiol","benzene-1,2-dithiol",Sc1ccccc1S,Sc1ccccc1S,"InChI=1/C6H6S2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",C6H6S2,,,,,,JRNVQLOKVMWBFR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.746,241-537-2,17557-67-4,6-methylsulphonylbenzothiazol-2-ylamine,"6-(methylsulfonyl)-1,3-benzothiazol-2-amine",CS(=O)(=O)c1ccc2nc(N)sc2c1,CS(=O)(=O)c1ccc2nc(N)sc2c1,"InChI=1/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)",C8H8N2O2S2,,,,,,ZYHNHJAMVNINSY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.086,247-411-3,26020-55-3,Oxetorone,"3-[1]benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethylpropan-1-amine",CN(C)CCC=C2c4oc1ccccc1c4COc3ccccc23,CN(C)CCC=C2c4oc1ccccc1c4COc3ccccc23,"InChI=1/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3",C21H21NO2,,,,,,VZVRZTZPHOHSCK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.088,247-413-4,26021-56-7,"Benzoic acid, compound with morpholine (1:1)",morpholine benzoate,OC(=O)c1ccccc1.C2COCCN2,OC(=O)c1ccccc1.C2COCCN2,"InChI=1/C7H6O2.C4H9NO/c8-7(9)6-4-2-1-3-5-6;1-3-6-4-2-5-1/h1-5H,(H,8,9);5H,1-4H2",C7H6O2.C4H9NO,,,,,,VEHVJXQNSCCNSB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.089,247-415-5,26021-57-8,"3,4-dihydro-2H-1,4-benzoxazin-6-ol","3,4-dihydro-2H-1,4-benzoxazin-6-ol",Oc1ccc2OCCNc2c1,Oc1ccc2OCCNc2c1,"InChI=1/C8H9NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-2,5,9-10H,3-4H2",C8H9NO2,,,,,,HWWIVWKTKZAORO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.091,247-417-6,26021-90-9,Sodium anilinomethanesulphonate,sodium anilinomethanesulfonate,[Na+].[O-]S(=O)(=O)CNc1ccccc1,[Na+].[O-]S(=O)(=O)CNc1ccccc1,"InChI=1/C7H9NO3S.Na/c9-12(10,11)6-8-7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,9,10,11);/q;+1/p-1",C7H9NO3S.Na,,,,,,AJSINQAAKNYUDA-UHFFFAOYSA-M,,,,,,,,,,,
100.043.099,247-426-5,26040-51-7,Bis(2-ethylhexyl) tetrabromophthalate,"bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate",CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC,"InChI=1/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",C24H34Br4O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10235,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.099,UUEDINPOVKWVAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.100,247-427-0,26040-98-2,Pentacosyl alcohol,pentacosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3",C25H52O,,,,,,IACKKVBKKNJZGN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.103,247-430-7,26043-11-8,Nickel hexafluorosilicate,nickel(2+) hexafluorosilicate,[Ni+2].F[Si-2](F)(F)(F)(F)F,[Ni+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.Ni/c1-7(2,3,4,5)6;/q-2;+2",F6Si.Ni,,,,,,DTEGYNSFDBDJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.187,244-222-8,21121-62-0,"2'-chloro-6'-(dimethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-chloro-6'-(dimethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CN(C)c1ccc2c(Oc3cc(C)c(Cl)cc3C24OC(=O)c5ccccc45)c1,CN(C)c1ccc2c(Oc3cc(C)c(Cl)cc3C24OC(=O)c5ccccc45)c1,"InChI=1/C23H18ClNO3/c1-13-10-20-18(12-19(13)24)23(16-7-5-4-6-15(16)22(26)28-23)17-9-8-14(25(2)3)11-21(17)27-20/h4-12H,1-3H3",C25H22ClNO3,,,,,,HJHGXGDBGOPUTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.192,244-228-0,21129-09-9,"Tetradecane-1,2-diol","tetradecane-1,2-diol",CCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCC(O)CO,"InChI=1/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3",C14H30O2,,,,,,DWANEFRJKWXRSG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.194,244-230-1,21129-27-1,1-methyl-4-(isopropyl)cyclohexan-1-ol,4-isopropyl-1-methylcyclohexanol,CC(C)C1CCC(C)(O)CC1,CC(C)C1CCC(C)(O)CC1,"InChI=1/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,CMLYGGFIXXLYQT-UHFFFAOYSA-N,,,,,,,,,,,
100.040.199,244-235-9,21133-98-2,Ethyl 3-(p-chlorophenyl)-3-hydroxybutyrate,ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate,CCOC(=O)CC(C)(O)c1ccc(Cl)cc1,CCOC(=O)CC(C)(O)c1ccc(Cl)cc1,"InChI=1/C12H15ClO3/c1-3-16-11(14)8-12(2,15)9-4-6-10(13)7-5-9/h4-7,15H,3,8H2,1-2H3",C12H15ClO3,,,,,,AKTWBLNPMXANJD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.204,244-241-1,21146-90-7,"Hexa-2,4-dienoic palmitic anhydride","hexadecanoic hexa-2,4-dienoic anhydride",CCCCCCCCCCCCCCCC(=O)OC(=O)C=CC=CC,CCCCCCCCCCCCCCCC(=O)OC(=O)C=CC=CC,"InChI=1/C22H38O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-22(24)25-21(23)19-17-6-4-2/h4,6,17,19H,3,5,7-16,18,20H2,1-2H3",C22H38O3,,,,,,OOTYTVGIZQBKNB-UHFFFAOYSA-N,,,,,,,,,,,
100.040.205,244-242-7,21149-38-2,Trimethylsilyl N-trimethylsilyltrifluoroacetimidate,"trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethanimidoate",C[Si](C)(C)OC(=N[Si](C)(C)C)C(F)(F)F,C[Si](C)(C)OC(=N[Si](C)(C)C)C(F)(F)F,"InChI=1/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3",C8H18F3NOSi2,,,,,,XCOBLONWWXQEBS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.208,244-245-3,21150-89-0,Bis(p-tert-butylphenyl) hydrogen phosphate,bis(4-tert-butylphenyl) hydrogen phosphate,CC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(cc2)C(C)(C)C)cc1,CC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(cc2)C(C)(C)C)cc1,"InChI=1/C20H27O4P/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3,(H,21,22)",C20H27O4P,,,,,,NMZURFAPYNEBQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.210,244-247-4,21155-21-5,5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",CCN2CCSC2=CC=C1SC(=S)N(CC(O)=O)C1=O,CCN2CCSC2=CC=C1SC(=S)N(CC(O)=O)C1=O,"InChI=1/C12H14N2O3S3/c1-2-13-5-6-19-9(13)4-3-8-11(17)14(7-10(15)16)12(18)20-8/h3-4H,2,5-7H2,1H3,(H,15,16)",C12H14N2O3S3,,,,,,QGVPJCPOTBNOCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.933,236-242-0,13254-07-4,3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-L-alanine,N-[(benzyloxy)carbonyl]-D-isoleucyl-L-phenylalanine,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,"InChI=1/C23H28N2O5/c1-3-16(2)20(25-23(29)30-15-18-12-8-5-9-13-18)21(26)24-19(22(27)28)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)",C23H28N2O5,,,,,,ARWIWKBRNYMFJM-RFFXKOPCSA-N,,,,,,,,,,,
100.032.934,236-243-6,13254-33-6,Carpronium chloride,"4-methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium chloride",[Cl-].COC(=O)CCC[N+](C)(C)C,[Cl-].COC(=O)CCC[N+](C)(C)C,"InChI=1/C8H18NO2.ClH/c1-9(2,3)7-5-6-8(10)11-4;/h5-7H2,1-4H3;1H/q+1;/p-1",C8H18NO2.Cl,,,,,,RZMKWKZIJJNSLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.032.937,236-246-2,13255-27-1,"Magnesium 2,4,6-trinitroresorcinolate","magnesium 2,4,6-trinitrobenzene-1,3-diolate",[Mg+2].[O-]c1c(cc(c([O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Mg+2].[O-]c1c(cc(c([O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O8.Mg/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/q;+2/p-2",C6H3N3O8.Mg,,,,,,NVYSURDBVCQFBV-UHFFFAOYSA-L,,,,,,,,,,,
100.032.941,236-250-4,13257-51-7,Mercury bis(trifluoroacetate),mercury bis(trifluoroacetate),[Hg+2].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F,[Hg+2].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F,"InChI=1/2C2HF3O2.Hg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2",C2HF3O2.1/2Hg,,,,,,WMHOESUUCMEQMS-UHFFFAOYSA-L,,,,,,,,,,,
100.032.942,236-252-5,13257-81-3,4-[(trimethylsilyl)oxy]pent-3-en-2-one,4-[(trimethylsilyl)oxy]pent-3-en-2-one,C[Si](C)(C)OC(C)=CC(C)=O,C[Si](C)(C)OC(C)=CC(C)=O,"InChI=1/C8H16O2Si/c1-7(9)6-8(2)10-11(3,4)5/h6H,1-5H3",C8H16O2Si,,,,,,FBADCSUQBLLAHW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.950,236-260-9,13269-19-7,2-nitropyridin-3-amine,2-nitropyridin-3-amine,Nc1cccnc1[N+](=O)[O-],Nc1cccnc1[N+](=O)[O-],"InChI=1/C5H5N3O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H,6H2",C5H5N3O2,,,,,,GZBKVUGZEAJYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.952,236-263-5,13269-61-9,Butyl perbenzoate,butyl benzenecarboperoxoate,CCCCOOC(=O)c1ccccc1,CCCCOOC(=O)c1ccccc1,"InChI=1/C11H14O3/c1-2-3-9-13-14-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C11H14O3,,,,,,UPIWXMRIPODGLE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.966,236-278-7,13279-06-6,N-[4-(dimethylamino)phenyl]stearamide,N-[4-(dimethylamino)phenyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)N(C)C,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)N(C)C,"InChI=1/C26H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(23-21-24)28(2)3/h20-23H,4-19H2,1-3H3,(H,27,29)",C26H46N2O,,,,,,OOJMUMUFHMMPJC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.967,236-279-2,13279-58-8,"4-acetamido-2,5-dimethoxybenzenesulphonyl chloride","4-acetamido-2,5-dimethoxybenzenesulfonyl chloride",COc1cc(c(OC)cc1NC(=O)C)S(=O)(=O)Cl,COc1cc(c(OC)cc1NC(=O)C)S(=O)(=O)Cl,"InChI=1/C10H12ClNO5S/c1-6(13)12-7-4-9(17-3)10(18(11,14)15)5-8(7)16-2/h4-5H,1-3H3,(H,12,13)",C10H12ClNO5S,,,,,,QMJIZLZFBGRSAS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.968,236-280-8,13279-85-1,"1,1,1-trichlorobutane","1,1,1-trichlorobutane",CCCC(Cl)(Cl)Cl,CCCC(Cl)(Cl)Cl,"InChI=1/C4H7Cl3/c1-2-3-4(5,6)7/h2-3H2,1H3",C4H7Cl3,,,,,,ABSHBZODGOHLFR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.567,239-139-9,15087-24-8,"1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one","3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC3(C)C2CCC3(C)C(=O)C2=Cc1ccccc1,CC3(C)C2CCC3(C)C(=O)C2=Cc1ccccc1,"InChI=1/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3",C17H20O,,,,,,OIQXFRANQVWXJF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.570,239-143-0,15089-84-6,3-acetamido-5-aminobenzoic acid,3-acetamido-5-aminobenzoic acid,CC(=O)Nc1cc(N)cc(c1)C(=O)O,CC(=O)Nc1cc(N)cc(c1)C(=O)O,"InChI=1/C9H10N2O3/c1-5(12)11-8-3-6(9(13)14)2-7(10)4-8/h2-4H,10H2,1H3,(H,11,12)(H,13,14)",C9H10N2O3,,,,,,SETVYNZSWPLKAO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.571,239-144-6,15090-23-0,3-(hydroxymethylphosphinoyl)propionic acid,3-[hydroxy(methyl)phosphoryl]propanoic acid,CP(=O)(O)CCC(=O)O,CP(=O)(O)CCC(=O)O,"InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)",C4H9O4P,,,,,,QXFUBAAEKCHBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.572,239-145-1,15091-94-8,Ammonium scandium(3+) disulphate,ammonium scandium(3+) disulphate,[NH4+].[Sc+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Sc+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S.Sc/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);/q;;;+3/p-3",H3N.2H2O4S.Sc,,,,,,YGBWYNDBICAHIY-UHFFFAOYSA-K,,,,,,,,,,,
100.035.580,239-154-0,15103-31-8,"3,7-dimethyloct-6-en-2-yl acetate","1,2,6-trimethylhept-5-en-1-yl acetate",CC(CCC=C(C)C)C(C)OC(=O)C,CC(CCC=C(C)C)C(C)OC(=O)C,"InChI=1/C12H22O2/c1-9(2)7-6-8-10(3)11(4)14-12(5)13/h7,10-11H,6,8H2,1-5H3",C12H22O2,,,,,,ZUFHJEXSOHWOKU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.584,239-158-2,15108-51-7,Bis(pentabromophenyl) fumarate,bis(pentabromophenyl) but-2-enedioate,Brc1c(Br)c(Br)c(OC(=O)\\C=C\\C(=O)Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(OC(=O)\C=C\C(=O)Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,InChI=1/C16H2Br10O4/c17-5-7(19)11(23)15(12(24)8(5)20)29-3(27)1-2-4(28)30-16-13(25)9(21)6(18)10(22)14(16)26/h1-2H,C16H2Br10O4,,,,,,DXPKDGZNZOIMJZ-OWOJBTEDSA-N,,,,,,,,,,,
100.038.454,242-315-8,18435-55-7,Dotriacontan-1-ene,dotriacont-1-ene,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C32H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-32H2,2H3",C32H64,,,,,,WMRDPJYQERQCEP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.456,242-317-9,18439-24-2,"Coenzyme A, trilithium salt",-,[Li]OP(=O)(O)OC1C(O)C(OC1COP(=O)(O[Li])OP(=O)(O[Li])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS)n2cnc3c(N)ncnc23,[Li]OP(=O)(O)OC1C(O)C(OC1COP(=O)(O[Li])OP(=O)(O[Li])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS)n2cnc3c(N)ncnc23,"InChI=1/C21H36N7O16P3S.3Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/q;3*+1/p-3/rC21H33Li3N7O16P3S/c1-21(2,16(34)19(35)27-4-3-12(32)26-5-6-51)8-41-50(39,46-24)47-49(38,45-23)40-7-11-15(43-48(36,37)44-22)14(33)20(42-11)31-10-30-13-17(25)28-9-29-18(13)31/h9-11,14-16,20,33-34,51H,3-8H2,1-2H3,(H,26,32)(H,27,35)(H,36,37)(H2,25,28,29)",C21H36N7O16P3S.3Li,,,,,,QSCBPHBAFBVXRK-UHFFFAOYSA-K,,,,,,,,,,,
100.038.460,242-322-6,18441-61-7,"2,4,8-trimethylquinoline","2,4,8-trimethylquinoline",Cc1cc(C)c2cccc(C)c2n1,Cc1cc(C)c2cccc(C)c2n1,"InChI=1/C12H13N/c1-8-5-4-6-11-9(2)7-10(3)13-12(8)11/h4-7H,1-3H3",C12H13N,,,,,,UAPYNUQREMCVSV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.464,242-326-8,18444-89-8,"Methyl [3S-(3a,3aa,6a,8aa)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate","methyl 7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylate",COC(=O)C1CCC2C(=C)C(C)(C)C3CCC12C3,COC(=O)C1CCC2C(=C)C(C)(C)C3CCC12C3,"InChI=1/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3",C16H24O2,,,,,,DZVKVIGAEDEAIN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.466,242-328-9,18446-93-0,"cis-a,4-dimethylcyclohexanemethanol",1-(4-methylcyclohexyl)ethanol,CC(O)[C@@H]1CC[C@H](C)CC1,CC(O)[C@@H]1CC[C@H](C)CC1,"InChI=1/C9H18O/c1-7-3-5-9(6-4-7)8(2)10/h7-10H,3-6H2,1-2H3",C9H18O,,,,,,KAUADGCMTGZSPE-FZUZSOMASA-N,,,,,,,,,,,
100.038.471,242-334-1,18449-60-0,"D,L-sec-butyl D,L-lactate",sec-butyl 2-hydroxypropanoate,CCC(C)OC(=O)C(C)O,CCC(C)OC(=O)C(C)O,"InChI=1/C7H14O3/c1-4-5(2)10-7(9)6(3)8/h5-6,8H,4H2,1-3H3",C7H14O3,,,,,,DGHQMSLDUXOQEO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.473,242-336-2,18450-74-3,"(2S,4R)-(-)-2,4-dimethylheptan-1-ol","2,4-dimethylheptan-1-ol",CCC[C@@H](C)C[C@H](C)CO,CCC[C@@H](C)C[C@H](C)CO,"InChI=1/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,HVRFWRROUIDGQO-BDAKNGLRSA-N,,,,,,,,,,,
100.038.486,242-350-9,18470-76-3,"3-decyldihydrofuran-2,5-dione","3-decyldihydrofuran-2,5-dione",CCCCCCCCCCC1CC(=O)OC1=O,CCCCCCCCCCC1CC(=O)OC1=O,"InChI=1/C14H24O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12H,2-11H2,1H3",C14H24O3,,,,,,YOWKKGPNCDIFFB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.426,237-883-9,14047-53-1,3-hydroxypyridine-2-methanol,2-(hydroxymethyl)pyridin-3-ol,OCc1ncccc1O,OCc1ncccc1O,"InChI=1/C6H7NO2/c8-4-5-6(9)2-1-3-7-5/h1-3,8-9H,4H2",C6H7NO2,,,,,,ZJRBRKUGRKKZOO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.427,237-884-4,14047-56-4,"Succinic acid, sodium salt",sodium 3-carboxypropanoate,[Na+].OC(=O)CCC(=O)[O-],[Na+].OC(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Na/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-1",C4H6O4.xNa,,,,,,KZQSXALQTHVPDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.034.428,237-886-5,14047-57-5,Sodium hydrogen sebacate,sodium hydrogen sebacate,[Na+].[O-]C(=O)CCCCCCCCC(=O)[O-],[Na+].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/C10H18O4.Na/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H,11,12)(H,13,14);/q;+1/p-2",C10H18O4.xNa,,,,,,GAQDIDQMKWSQAH-UHFFFAOYSA-L,,,,,,,,,,,
100.034.429,237-887-0,14047-60-0,Sodium nonan-1-oate,sodium nonanoate,[Na+].CCCCCCCCC(=O)[O-],[Na+].CCCCCCCCC(=O)[O-],"InChI=1/C9H18O2.Na/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1",C9H18O2.Na,,,,,,LTOCMXUTASYUOC-UHFFFAOYSA-M,,,,,,,,,,,
100.034.430,237-888-6,14048-30-7,"Methyl 2,3-di-O-methyl-a-D-glucopyranoside","methyl 2,3-di-O-methyl-alpha-D-glucopyranoside",CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1OC,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1OC,"InChI=1/C9H18O6/c1-12-7-6(11)5(4-10)15-9(14-3)8(7)13-2/h5-11H,4H2,1-3H3",C9H18O6,,,,,,NTTFSNRBMIOKLX-ZEBDFXRSSA-N,,,,,,,,,,,
100.034.431,237-889-1,14049-11-7,"Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol","2,2,6-trimethyl-6-vinyltetrahydro-2H-pyran-3-ol",CC1(C)OC(C)(CCC1O)C=C,CC1(C)OC(C)(CCC1O)C=C,"InChI=1/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3",C10H18O2,,,,,,BCTBAGTXFYWYMW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.462,237-924-0,14070-48-5,"N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]acetamide","N-[3-(5-thioxo-2,5-dihydro-1H-tetrazol-1-yl)phenyl]acetamide",CC(=O)Nc1cccc(c1)N2NN=NC2=S,CC(=O)Nc1cccc(c1)N2NN=NC2=S,"InChI=1/C9H9N5OS/c1-6(15)10-7-3-2-4-8(5-7)14-9(16)11-12-13-14/h2-5H,1H3,(H,10,15)(H,11,13,16)",C9H9N5OS,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17145,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.462,SCWKACOBHZIKDI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.468,237-930-3,14077-58-8,Ethoxyacetyl chloride,ethoxyacetyl chloride,CCOCC(=O)Cl,CCOCC(=O)Cl,"InChI=1/C4H7ClO2/c1-2-7-3-4(5)6/h2-3H2,1H3",C4H7ClO2,,,,,,ZPMWWAIBJJFPPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.748,241-539-3,17560-51-9,Metolazone,"7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide",CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N,CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N,"InChI=1/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)",C16H16ClN3O3S,,,,,,AQCHWTWZEMGIFD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.749,241-540-9,17560-54-2,2-(acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid,2-acetamido-4-chloro-5-sulfamoylbenzoic acid,CC(=O)Nc1cc(Cl)c(cc1C(=O)O)S(=O)(=O)N,CC(=O)Nc1cc(Cl)c(cc1C(=O)O)S(=O)(=O)N,"InChI=1/C9H9ClN2O5S/c1-4(13)12-7-3-6(10)8(18(11,16)17)2-5(7)9(14)15/h2-3H,1H3,(H,12,13)(H,14,15)(H2,11,16,17)",C9H9ClN2O5S,,,,,,YUHXSVUWDBFINU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.875,236-178-3,13211-01-3,4'-phenylbutyrophenone,1-biphenyl-4-ylbutan-1-one,CCCC(=O)c1ccc(cc1)c2ccccc2,CCCC(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C16H16O/c1-2-6-16(17)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3",C16H16O,,,,,,WOFNMZNJGZJHJO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.876,236-179-9,13211-15-9,"3,3-dimethylbicyclo[2.2.1]heptan-2-one","3,3-dimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC(C2)C1=O,CC1(C)C2CCC(C2)C1=O,"InChI=1/C9H14O/c1-9(2)7-4-3-6(5-7)8(9)10/h6-7H,3-5H2,1-2H3",C9H14O,,,,,,ZYPYEBYNXWUCEA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.877,236-180-4,13211-31-9,tert-butyl L-valinate,tert-butyl L-valinate,CC(C)[C@H](N)C(=O)OC(C)(C)C,CC(C)[C@H](N)C(=O)OC(C)(C)C,"InChI=1/C9H19NO2/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7H,10H2,1-5H3",C9H19NO2,,,,,,RJBVJBGFJIHJSZ-ZETCQYMHSA-N,,,,,,,,,,,
100.032.878,236-182-5,13213-38-2,Ethylmethylphosphinic chloride,ethyl(methyl)phosphinic chloride,CCP(=O)(C)Cl,CCP(=O)(C)Cl,"InChI=1/C3H8ClOP/c1-3-6(2,4)5/h3H2,1-2H3",C3H8ClOP,,,,,,KJKWGCTWYJCDHP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.881,236-185-1,13214-53-4,2-oxoimidazolidine-1-carbonyl chloride,2-oxoimidazolidine-1-carbonyl chloride,ClC(=O)N1CCNC1=O,ClC(=O)N1CCNC1=O,"InChI=1/C4H5ClN2O2/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H,6,9)",C4H5ClN2O2,,,,,,NXJZQSRAFBHNLI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.882,236-186-7,13214-66-9,4-phenylbutylamine,4-phenylbutan-1-amine,NCCCCc1ccccc1,NCCCCc1ccccc1,"InChI=1/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2",C10H15N,,,,,,AGNFWIZBEATIAK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.883,236-187-2,13215-88-8,"4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one","4-but-2-en-1-ylidene-3,5,5-trimethylcyclohex-2-en-1-one",CC1(C)CC(=O)\\C=C(\\C)C1=CC=CC,CC1(C)CC(=O)\C=C(\C)C1=CC=CC,"InChI=1/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3",C13H18O,,,,,,CBQXHTWJSZXYSK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.969,237-382-5,13768-38-2,Osmium hexafluoride,osmium hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[Os+2].[Os+2].[Os+2],[F-].[F-].[F-].[F-].[F-].[F-].[Os+2].[Os+2].[Os+2],InChI=1/6FH.3Os/h6*1H;;;/q;;;;;;3*+2/p-6,F6Os,,,,,,PQTAKLMEYBGUJX-UHFFFAOYSA-H,,,,,,,,,,,
100.033.970,237-383-0,13768-60-0,Boron fluoride,boron trifluoride,[F-].[F-].[F-].[BH6+3],[F-].[F-].[F-].[BH6+3],InChI=1/BH3.3FH/h1H3;3*1H/q+3;;;/p-3,BF,,,,,,YADBIKIATJGHLZ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.972,237-385-1,13768-86-0,Selenium trioxide,oxoselane dioxide,O=[SeH2](=O)=O,O=[SeH2](=O)=O,InChI=1/H2O3Se/c1-4(2)3/h4H2,O3Se,,,,,,ZXVDGIXDYNEFLW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.977,237-390-9,13770-16-6,Manganese diperchlorate,manganese(2+) diperchlorate,[Mn+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Mn+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Mn/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Mn,,,,,,QVRFMRZEAVHYMX-UHFFFAOYSA-L,,,,,,,,,,,
100.033.982,237-396-1,13770-89-3,Nickel bis(sulphamidate),nickel(2+) disulfamate,[Ni+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Ni+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/2H3NO3S.Ni/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2",H3NO3S.1/2Ni,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14782,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.982,KERTUBUCQCSNJU-UHFFFAOYSA-L,,,,,,,,,,,
100.033.992,237-406-4,13775-18-3,Uranium triiodide,-,[I-].[I-].[I-].[U+2],[I-].[I-].[I-].[U+2],InChI=1/3HI.U/h3*1H;/q;;;+2/p-3,I3U,,,,,,SXCQYTBGSYAKNF-UHFFFAOYSA-K,,,,,,,,,,,
100.033.996,237-411-1,13775-54-7,Dinickel orthosilicate,dinickel(2+) orthosilicate,[Ni+2].[Ni+2].[O-][Si]([O-])([O-])[O-],[Ni+2].[Ni+2].[O-][Si]([O-])([O-])[O-],"InChI=1/2Ni.O4Si/c;;1-5(2,3)4/q2*+2;-4",H4O4Si.2Ni,,,,,,AQQHXPJLFFJBCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.997,237-412-7,13775-80-9,Hydrazinium bromide,diazanium bromide,[Br-].N[NH3+],[Br-].N[NH3+],InChI=1/BrH.H4N2/c;1-2/h1H;1-2H2,BrH.H4N2,,,,,,DVHXJLRODLTJOD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.998,237-413-2,13776-74-4,Magnesium silicate,magnesium oxosilanediolate,[Mg+2].[O-][Si](=O)[O-],[Mg+2].[O-][Si](=O)[O-],InChI=1/Mg.O3Si/c;1-4(2)3/q+2;-2,H2O3Si.Mg,,,,,,FKHIFSZMMVMEQY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.502,239-068-3,14984-71-5,Copper nitrite,copper(1+) nitrite,[Cu+].[O-]N=O,[Cu+].[O-]N=O,"InChI=1/Cu.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",Cu.2HNO2,,,,,,MLZZMQAJXLZTDM-UHFFFAOYSA-M,,,,,,,,,,,
100.040.225,244-264-7,21193-75-9,"1,5-anhydro-2-deoxy-D-lyxo-hex-1-enitol","2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol",OC[C@H]1OC=C[C@@H](O)[C@H]1O,OC[C@H]1OC=C[C@@H](O)[C@H]1O,"InChI=1/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2",C6H10O4,,,,,,YVECGMZCTULTIS-HSUXUTPPSA-N,,,,,,,,,,,
100.040.226,244-265-2,21197-51-3,6-tert-butyloctahydrocoumarin,6-tert-butyloctahydro-2H-chromen-2-one,CC(C)(C)C1CCC2OC(=O)CCC2C1,CC(C)(C)C1CCC2OC(=O)CCC2C1,"InChI=1/C13H22O2/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(14)15-11/h9-11H,4-8H2,1-3H3",C13H22O2,,,,,,IPKVISRDFCIXEA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.229,244-268-9,21205-24-3,2-nitro-1-phenylethan-1-one oxime,2-nitro-1-phenylethanone oxime,ON=C(C[N+]([O-])=O)c1ccccc1,ON=C(C[N+]([O-])=O)c1ccccc1,"InChI=1/C8H8N2O3/c11-9-8(6-10(12)13)7-4-2-1-3-5-7/h1-5,11H,6H2",C8H8N2O3,,,,,,VZXWHAIIKCIOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.822,243-821-1,20438-93-1,"Dihydrogen [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)",[N-(2-{bis[(carboxy-kappaO)methyl]amino}ethyl)-N-(2-{(carboxymethyl)[(carboxy-kappaO)methyl]amino}ethyl)glycinato(3-)]iron,OC(=O)CN1CCN(CC(=O)O)CC(=O)O[Fe]2OC(=O)CN(CC1)CC(=O)O2,OC(=O)CN1CCN(CC(=O)O)CC(=O)O[Fe]2OC(=O)CN(CC1)CC(=O)O2,"InChI=1/C14H23N3O10.Fe/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3",C14H18FeN3O10.2H,,,,,,KIYRMHGKVHQJDB-UHFFFAOYSA-K,,,,,,,,,,,
100.039.823,243-822-7,20440-95-3,N-phenyl-N-(p-tolyl)-p-toluidine,4-methyl-N-(4-methylphenyl)-N-phenylaniline,Cc1ccc(cc1)N(c2ccccc2)c3ccc(C)cc3,Cc1ccc(cc1)N(c2ccccc2)c3ccc(C)cc3,"InChI=1/C20H19N/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3",C20H19N,,,,,,YWKKLBATUCJUHI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.827,243-826-9,20442-79-9,"3-iodo-1,1'-biphenyl",3-iodobiphenyl,Ic1cccc(c1)c2ccccc2,Ic1cccc(c1)c2ccccc2,InChI=1/C12H9I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,C12H9I,,,,,,KAQUBIATNWQNRE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.828,243-827-4,20443-98-5,"Alpha-bromo-2,6-dichlorotoluene","2-(bromomethyl)-1,3-dichlorobenzene",Clc1cccc(Cl)c1CBr,Clc1cccc(Cl)c1CBr,"InChI=1/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2",C7H5BrCl2,,,,,,PDFGFQUSSYSWNI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.852,243-854-1,20498-67-3,p-methoxy-a-phenylphenethyl alcohol,2-(4-methoxyphenyl)-1-phenylethanol,COc1ccc(CC(O)c2ccccc2)cc1,COc1ccc(CC(O)c2ccccc2)cc1,"InChI=1/C15H16O2/c1-17-14-9-7-12(8-10-14)11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3",C15H16O2,,,,,,PKTDIXNDEIHHHO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.854,243-856-2,20513-79-5,"4,5-dihydro-2-heptyl-1H-imidazole-1-ethylamine","2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCC1=NCCN1CCN,CCCCCCCC1=NCCN1CCN,"InChI=1/C12H25N3/c1-2-3-4-5-6-7-12-14-9-11-15(12)10-8-13/h2-11,13H2,1H3",C12H25N3,,,,,,LIOIKZJJHQUNKR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.855,243-857-8,20513-80-8,"4,5-dihydro-2-pentadecyl-1H-imidazole-1-ethylamine","2-(2-pentadecyl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCCCCCCCCCC1=NCCN1CCN,CCCCCCCCCCCCCCCC1=NCCN1CCN,"InChI=1/C20H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-22-17-19-23(20)18-16-21/h2-19,21H2,1H3",C20H41N3,,,,,,GYUKZDZTBTXSHL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.857,243-859-9,20521-42-0,2-vinyl-2-butenal,2-vinylbut-2-enal,C=CC(=CC)C=O,C=CC(=CC)C=O,"InChI=1/C6H8O/c1-3-6(4-2)5-7/h3-5H,1H2,2H3",C6H8O,,,,,,XOBGIOGZLQNHMM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.451,247-812-3,26569-53-9,Tris(nonylphenyl) phosphate,tris(2-nonylphenyl) phosphate,CCCCCCCCCc1ccccc1OP(=O)(Oc2ccccc2CCCCCCCCC)Oc3ccccc3CCCCCCCCC,CCCCCCCCCc1ccccc1OP(=O)(Oc2ccccc2CCCCCCCCC)Oc3ccccc3CCCCCCCCC,"InChI=1/C45H69O4P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)47-50(46,48-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)49-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3/h25-30,34-39H,4-24,31-33H2,1-3H3",C45H69O4P,,,,,,OOZBTDPWFHJVEK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.459,247-821-2,26576-47-6,"Methyl 4-chloro-2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoate","methyl 4-chloro-2-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)benzoate",COC(=O)c3ccc(Cl)cc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,COC(=O)c3ccc(Cl)cc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,"InChI=1/C19H16ClN5O5/c1-9(26)16(25-24-14-7-10(20)3-5-12(14)18(28)30-2)17(27)21-11-4-6-13-15(8-11)23-19(29)22-13/h3-8,16H,1-2H3,(H,21,27)(H2,22,23,29)",C19H16ClN5O5,,,,,,DASUKABWGNNUEB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.461,247-823-3,26585-57-9,"4-methylaniline-2,5-disulphonic acid","2-amino-5-methylbenzene-1,4-disulfonic acid",Cc1cc(c(N)cc1S(=O)(=O)O)S(=O)(=O)O,Cc1cc(c(N)cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C7H9NO6S2/c1-4-2-7(16(12,13)14)5(8)3-6(4)15(9,10)11/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14)",C7H9NO6S2,,,,,,YYRVBCBZQPTVEO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.467,247-830-1,26590-20-5,"1,2,3,6-tetrahydromethylphthalic anhydride","3a-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC12CC=CCC1C(=O)OC2=O,CC12CC=CCC1C(=O)OC2=O,"InChI=1/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h2-3,6H,4-5H2,1H3",C9H10O3,,,,,,SOOZEQGBHHIHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.587,239-161-9,15111-56-5,Ethyl cyclohex-3-ene-1-carboxylate,ethyl cyclohex-3-ene-1-carboxylate,CCOC(=O)C1CCC=CC1,CCOC(=O)C1CCC=CC1,"InChI=1/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-4,8H,2,5-7H2,1H3",C9H14O2,,,,,,BYNLHLLOIZDKIC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.589,239-164-5,15111-97-4,4-methyl-ß-methylenecyclohex-3-ene-1-ethyl acetate,2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl acetate,CC(=O)OCC(=C)C1CCC(=CC1)C,CC(=O)OCC(=C)C1CCC(=CC1)C,"InChI=1/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3",C12H18O2,,,,,,BCTDJPZNMXPMIA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.600,239-176-0,15121-77-4,3-chlorodihydro-3-methyl-5-phenylfuran-2(3H)-one,3-chloro-3-methyl-5-phenyldihydrofuran-2(3H)-one,CC1(Cl)CC(OC1=O)c2ccccc2,CC1(Cl)CC(OC1=O)c2ccccc2,"InChI=1/C11H11ClO2/c1-11(12)7-9(14-10(11)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",C11H11ClO2,,,,,,IVPWPXOKZYCQNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.610,239-187-0,15123-97-4,Dirubidium selenite,dirubidium selenite,[Rb+].[Rb+].[O-][Se](=O)[O-],[Rb+].[Rb+].[O-][Se](=O)[O-],"InChI=1/H2O3Se.2Rb/c1-4(2)3;;/h(H2,1,2,3);;/q;2*+1/p-2",H2O3Se.2Rb,,,,,,LGBHDVWVULCARN-UHFFFAOYSA-L,,,,,,,,,,,
100.032.601,235-877-0,13019-20-0,2-methylheptan-3-one,2-methylheptan-3-one,CCCCC(=O)C(C)C,CCCCC(=O)C(C)C,"InChI=1/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3",C8H16O,,,,,,XYYMFUCZDNNGFS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.604,235-880-7,13020-83-2,Trimethyl(purin-6-yl)ammonium chloride,"N,N,N-trimethyl-9H-purin-6-aminium chloride",[Cl-].C[N+](C)(C)c1ncnc2[nH]cnc12,[Cl-].C[N+](C)(C)c1ncnc2[nH]cnc12,"InChI=1/C8H12N5.ClH/c1-13(2,3)8-6-7(10-4-9-6)11-5-12-8;/h4-5H,1-3H3,(H,9,10,11,12);1H/q+1;/p-1",C8H12N5.Cl,,,,,,JSVIFNMHKUROQN-UHFFFAOYSA-M,,,,,,,,,,,
100.032.609,235-885-4,13025-07-5,4-[(1-oxoallyl)oxy]butyl acetoacetate,4-(acryloyloxy)butyl 3-oxobutanoate,CC(=O)CC(=O)OCCCCOC(=O)C=C,CC(=O)CC(=O)OCCCCOC(=O)C=C,"InChI=1/C11H16O5/c1-3-10(13)15-6-4-5-7-16-11(14)8-9(2)12/h3H,1,4-8H2,2H3",C11H16O5,,,,,,PICTWXAWDCLLKO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.611,235-888-0,13026-23-8,p-phenylcinnamic acid,3-biphenyl-4-ylacrylic acid,OC(=O)\\C=C\\c1ccc(cc1)c2ccccc2,OC(=O)\C=C\c1ccc(cc1)c2ccccc2,"InChI=1/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)",C15H12O2,,,,,,DMJDEZUEYXVYNO-DHZHZOJOSA-N,,,,,,,,,,,
100.032.612,235-889-6,13027-28-6,"4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)phthalide","4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one",Oc1ccc(cc1)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)cc4,Oc1ccc(cc1)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)cc4,"InChI=1/C20H10Br4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H",C20H10Br4O4,,,,,,GNJLVMKERYSIAI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.613,235-890-1,13027-88-8,2-hydroxy-2-methylpropionamide,2-hydroxy-2-methylpropanamide,CC(C)(O)C(=O)N,CC(C)(O)C(=O)N,"InChI=1/C4H9NO2/c1-4(2,7)3(5)6/h7H,1-2H3,(H2,5,6)",C4H9NO2,,,,,,DRYMMXUBDRJPDS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.614,235-891-7,13031-04-4,"Dihydro-4,4-dimethylfuran-2,3-dione","4,4-dimethyldihydrofuran-2,3-dione",CC1(C)COC(=O)C1=O,CC1(C)COC(=O)C1=O,"InChI=1/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3",C6H8O3,,,,,,HRTOQFBQOFIFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.619,235-896-4,13033-91-5,3-ethyl-5-[(3-ethylbenzoxazol-2(3H)-ylidene)ethylidene]-1-phenyl-2-thioxoimidazolidin-4-one,"3-ethyl-5-[2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-1-phenyl-2-thioxoimidazolidin-4-one",O=C4N(CC)C(=S)N(c1ccccc1)C4=CC=C3Oc2ccccc2N3CC,O=C4N(CC)C(=S)N(c1ccccc1)C4=CC=C3Oc2ccccc2N3CC,"InChI=1/C22H21N3O2S/c1-3-23-17-12-8-9-13-19(17)27-20(23)15-14-18-21(26)24(4-2)22(28)25(18)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3",C22H21N3O2S,,,,,,JAFSZVFUWRLSPS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.623,235-902-5,13036-41-4,N-(ethoxymethyl)acrylamide,N-(ethoxymethyl)acrylamide,CCOCNC(=O)C=C,CCOCNC(=O)C=C,"InChI=1/C6H11NO2/c1-3-6(8)7-5-9-4-2/h3H,1,4-5H2,2H3,(H,7,8)",C6H11NO2,,,,,,LSWADWIFYOAQRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.126,237-553-4,13838-16-9,Enflurane,"2-chloro-1,1,2-trifluoroethyl difluoromethyl ether",FC(F)OC(F)(F)C(F)Cl,FC(F)OC(F)(F)C(F)Cl,"InChI=1/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H",C3H2ClF5O,,,,,,JPGQOUSTVILISH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.127,237-555-5,13838-32-9,"2-butoxy-4,6-dichloro-1,3,5-triazine","2-butoxy-4,6-dichloro-1,3,5-triazine",CCCCOc1nc(Cl)nc(Cl)n1,CCCCOc1nc(Cl)nc(Cl)n1,"InChI=1/C7H9Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3",C7H9Cl2N3O,,,,,,ZTNVNAIEXWYGML-UHFFFAOYSA-N,,,,,,,,,,,
100.034.133,237-561-8,13841-66-2,Butyl isonicotinate,butyl isonicotinate,CCCCOC(=O)c1ccncc1,CCCCOC(=O)c1ccncc1,"InChI=1/C10H13NO2/c1-2-3-8-13-10(12)9-4-6-11-7-5-9/h4-7H,2-3,8H2,1H3",C10H13NO2,,,,,,UMQFMEMKBWWILL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.135,237-563-9,13842-46-1,Nickel dipotassium bis(sulphate),nickel dipotassium bis(sulphate),[K+].[K+].[Ni+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[K+].[K+].[Ni+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2K.Ni.2H2O4S/c;;;2*1-5(2,3)4/h;;;2*(H2,1,2,3,4)/q2*+1;+2;;/p-4",H2O4S.K.1/2Ni,,,,,,PBOHWEFYZPOHIB-UHFFFAOYSA-J,,,,,,,,,,,
100.038.065,241-888-1,17962-89-9,9-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9H-purine,9-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9H-purine,C[Si](C)(C)Oc1ncnc2c1ncn2[Si](C)(C)C,C[Si](C)(C)Oc1ncnc2c1ncn2[Si](C)(C)C,"InChI=1/C11H20N4OSi2/c1-17(2,3)15-8-14-9-10(15)12-7-13-11(9)16-18(4,5)6/h7-8H,1-6H3",C11H20N4OSi2,,,,,,GQQMYRBRLIEVPC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.067,241-890-2,17966-25-5,"1-[(phosphonooxy)methyl]ethane-1,2-diyl distearate","3-(phosphonooxy)propane-1,2-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)",C39H77O8P,,,,,,YFWHNAWEOZTIPI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.069,241-892-3,17973-82-9,"1,3-dichloro-1,1,3,3-tetraethyldistannoxane","1,3-dichloro-1,1,3,3-tetraethyldistannoxane",CC[Sn](Cl)(CC)O[Sn](Cl)(CC)CC,CC[Sn](Cl)(CC)O[Sn](Cl)(CC)CC,"InChI=1/4C2H5.2ClH.O.2Sn/c4*1-2;;;;;/h4*1H2,2H3;2*1H;;;/q;;;;;;;2*+1/p-2/rC8H20Cl2OSn2/c1-5-12(9,6-2)11-13(10,7-3)8-4/h5-8H2,1-4H3",C8H20Cl2OSn2,,,,,,WQGIIPWHQUMECN-UHFFFAOYSA-L,,,,,,,,,,,
100.038.076,241-900-5,17977-66-1,"Dioctadecyl [R(R*,R*)]-tartrate",dioctadecyl tartarate,CCCCCCCCCCCCCCCCCCOC(=O)C(O)C(O)C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)C(O)C(O)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C40H78O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45-39(43)37(41)38(42)40(44)46-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3",C40H78O6,,,,,,RYGCHSSZXHQCEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.081,241-905-2,17980-39-1,"1,1,3,3,5,5-hexamethyl-1,5-divinyltrisiloxane","1,1,3,3,5,5-hexamethyl-1,5-divinyltrisiloxane",C[Si](C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C,C[Si](C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C,"InChI=1/C10H24O2Si3/c1-9-13(3,4)11-15(7,8)12-14(5,6)10-2/h9-10H,1-2H2,3-8H3",C10H24O2Si3,,,,,,MFWYAJVOUCTAQI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.083,241-907-3,17984-98-4,Triacetoxybutylsilane,butylsilanetriyl triacetate,CCCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C,CCCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1/C10H18O6Si/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13/h5-7H2,1-4H3",C10H18O6Si,,,,,,LSDYFQXXPCPBQV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.088,241-913-6,18000-24-3,7-chloro-4-hydroxyquinoline-2-carboxylic acid,7-chloro-4-hydroxyquinoline-2-carboxylic acid,OC(=O)c1cc(O)c2ccc(Cl)cc2n1,OC(=O)c1cc(O)c2ccc(Cl)cc2n1,"InChI=1/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)",C10H6ClNO3,,,,,,UAWVRVFHMOSAPU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.097,241-923-0,18016-19-8,"Maleic acid, sodium salt",sodium 3-carboxyacrylate,[Na+].OC(=O)\\C=C/C(=O)[O-],[Na+].OC(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1",C4H4O4.xNa,,,,,,VRVKOZSIJXBAJG-ODZAUARKSA-M,,,,,,,,,,,
100.038.100,241-926-7,18017-31-7,Decafluoro-5-(trifluoromethyl)hexanoyl fluoride,"2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoyl fluoride",FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C7F14O/c8-1(22)2(9,10)4(12,13)5(14,15)3(11,6(16,17)18)7(19,20)21",C7F14O,,,,,,JQXGQDNUXYODIT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.101,241-927-2,18018-09-2,"1,3-dichloro-2-methylanthraquinone","1,3-dichloro-2-methyl-9,10-anthraquinone",Cc1c(Cl)cc2C(=O)c3ccccc3C(=O)c2c1Cl,Cc1c(Cl)cc2C(=O)c3ccccc3C(=O)c2c1Cl,"InChI=1/C15H8Cl2O2/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6H,1H3",C15H8Cl2O2,,,,,,QZKRKMRVWWGTRU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.093,237-517-8,13824-04-9,"N,N',1,3-tetraphenyl-1,3,2,4-diazadiphosphetidine-2,4-diamine 2,4-dioxide","N,N',1,3-tetraphenyl-1,3,2,4-diazadiphosphetidine-2,4-diamine 2,4-dioxide",O=P1(Nc2ccccc2)N(c3ccccc3)P(=O)(Nc4ccccc4)N1c5ccccc5,O=P1(Nc2ccccc2)N(c3ccccc3)P(=O)(Nc4ccccc4)N1c5ccccc5,"InChI=1/C24H22N4O2P2/c29-31(25-21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)32(30,26-22-15-7-2-8-16-22)28(31)24-19-11-4-12-20-24/h1-20H,(H,25,29)(H,26,30)",C24H22N4O2P2,,,,,,OKYVWDASQAVFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.096,237-520-4,13824-96-9,Sodium hypobromite,sodium hypobromite,[Na+].[O-]Br,[Na+].[O-]Br,InChI=1/BrO.Na/c1-2;/q-1;+1,BrHO.Na,,,,,,CRWJEUDFKNYSBX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.100,237-525-1,13826-35-2,3-phenoxybenzylic alcohol,(3-phenoxyphenyl)methanol,OCc1cccc(Oc2ccccc2)c1,OCc1cccc(Oc2ccccc2)c1,"InChI=1/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2",C13H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17461,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.100,KGANAERDZBAECK-UHFFFAOYSA-N,Positive,EA032501|EA032502|EA032503|EA032504|EA032506|EA032508|EA032509|EA032510|EA032511|EA032514,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD75|HCD15|HCD30|HCD45|HCD60|CID35,183.0801:171.0802|183.0805:171.0804|183.0798:171.0804|183.0803:153.0694:171.0811|65.0387|183.0803:171.0803|171.0803:183.0803|183.0802:171.0802|153.0696:65.0386:183.0803|183.0801:171.08,Eawag,,,,,
100.034.106,237-531-4,13826-83-0,Ammonium tetrafluoroborate,ammonium tetrafluoroborate,[NH4+].F[B-](F)(F)F,[NH4+].F[B-](F)(F)F,"InChI=1/BF4.H3N/c2-1(3,4)5;/h;1H3/q-1;/p+1",BF4.H4N,,,,,,PDTKOBRZPAIMRD-UHFFFAOYSA-O,,,,,,,,,,,
100.034.107,237-533-5,13826-86-3,Nitronium tetrafluoroborate,nitronium tetrafluoroborate,[O-][NH+]=[CH+].F[B-](F)(F)F,[O-][NH+]=[CH+].F[B-](F)(F)F,"InChI=1/CH3NO.BF4/c1-2-3;2-1(3,4)5/h2H,1H2;/q+1;-1",BF4.NO2,,,,,,NIJWKIBDIRGMAF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.507,239-074-6,14986-89-1,Dilutetium(3+) trisulphate,dilutetium(3+) trisulphate,[Lu+3].[Lu+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Lu+3].[Lu+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Lu.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",H2O4S.2/3Lu,,,,,,GJENVQFRSQOLAE-UHFFFAOYSA-H,,,,,,,,,,,
100.035.515,239-083-5,14996-78-2,2-phenylcycloheptan-1-one,2-phenylcycloheptanone,O=C1CCCCCC1c2ccccc2,O=C1CCCCCC1c2ccccc2,"InChI=1/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2",C13H16O,,,,,,PVHNKILPLXXDDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.509,235-774-0,12688-94-7,[4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoato(2-)]manganese,[4-{[5-chloro-4-methyl-2-(sulfo-kappaO)phenyl]diazenyl}-3-hydroxy-2-naphthoato(2-)-kappaO]manganese,Cc1cc2c(cc1Cl)N=Nc3c(O)c(cc4ccccc34)C(=O)O[Mn]OS2(=O)=O,Cc1cc2c(cc1Cl)N=Nc3c(O)c(cc4ccccc34)C(=O)O[Mn]OS2(=O)=O,"InChI=1/C18H13ClN2O6S.Mn/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/rC18H11ClMnN2O6S/c1-9-6-15-14(8-13(9)19)21-22-16-11-5-3-2-4-10(11)7-12(17(16)23)18(24)27-20-28-29(15,25)26/h2-8,23H,1H3",C18H11ClMnN2O6S,,,,,,FXKOYCHIRMCIOR-UHFFFAOYSA-L,,,,,,,,,,,
100.032.516,235-781-9,12712-75-3,"2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate","2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutanoate",CCN(CC)C(=O)CCC(=O)OCCn1cnc2N(C)C(=O)N(C)C(=O)c12,CCN(CC)C(=O)CCC(=O)OCCn1cnc2N(C)C(=O)N(C)C(=O)c12,"InChI=1/C17H25N5O5/c1-5-21(6-2)12(23)7-8-13(24)27-10-9-22-11-18-15-14(22)16(25)20(4)17(26)19(15)3/h11H,5-10H2,1-4H3",C17H25N5O5,,,,,,KCFIDDRVZLDJEY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.358,237-809-5,14003-66-8,4-methyl-5-nitro-1H-imidazole,4-methyl-5-nitro-1H-imidazole,Cc1nc[nH]c1[N+](=O)[O-],Cc1nc[nH]c1[N+](=O)[O-],"InChI=1/C4H5N3O2/c1-3-4(7(8)9)6-2-5-3/h2H,1H3,(H,5,6)",C4H5N3O2,,,,,,WSYOWIMKNNMEMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.366,237-817-9,14007-64-8,Butetamate,2-(diethylamino)ethyl 2-phenylbutanoate,CCC(C(=O)OCCN(CC)CC)c1ccccc1,CCC(C(=O)OCCN(CC)CC)c1ccccc1,"InChI=1/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3",C16H25NO2,,,,,,CKWHSYRZDLWQFV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.374,237-826-8,14014-09-6,Terbium(3+) perchlorate,terbium(3+) triperchlorate,[Tb+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Tb+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Tb/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Tb,,,,,,CPANODKLKVNZBE-UHFFFAOYSA-K,,,,,,,,,,,
100.035.877,239-481-9,15467-06-8,Lithium ricinoleate,lithium 12-hydroxyoctadec-9-enoate,[Li+].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Li+].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1",C18H34O3.Li,,,,,,UWZUWNMEIDBHOF-DPMBMXLASA-M,,,,,,,,,,,
100.035.884,239-489-2,15469-77-9,3-decenoic acid,dec-3-enoic acid,OC(=O)CC=CCCCCCC,OC(=O)CC=CCCCCCC,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)",C10H18O2,,,,,,CPVUNKGURQKKKX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.892,239-498-1,15476-85-4,"2-[(1,1-dimethylethyl)dioxy]ethanol",2-(tert-butylperoxy)ethanol,CC(C)(C)OOCCO,CC(C)(C)OOCCO,"InChI=1/C6H14O3/c1-6(2,3)9-8-5-4-7/h7H,4-5H2,1-3H3",C6H14O3,,,,,,FJAUCWNKOXKMHB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.895,239-501-6,15480-00-9,2-(2-chlorophenoxy)ethanol,2-(2-chlorophenoxy)ethanol,OCCOc1ccccc1Cl,OCCOc1ccccc1Cl,"InChI=1/C8H9ClO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2",C8H9ClO2,,,,,,FDQGMCQSIVZGHW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.903,239-510-5,15484-80-7,"Vinyl 4-(1,1-dimethylethyl)benzoate",vinyl 4-tert-butylbenzoate,CC(C)(C)c1ccc(cc1)C(=O)OC=C,CC(C)(C)c1ccc(cc1)C(=O)OC=C,"InChI=1/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3",C13H16O2,,,,,,ZLHVSEPPILCZHH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.886,236-190-9,13220-80-9,Tris(2-hydroxyethyl)ammonium mercaptoacetate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium sulfanylacetate",OCC[NH+](CCO)CCO.[O-]C(=O)CS,OCC[NH+](CCO)CCO.[O-]C(=O)CS,"InChI=1/C6H15NO3.C2H4O2S/c8-4-1-7(2-5-9)3-6-10;3-2(4)1-5/h8-10H,1-6H2;5H,1H2,(H,3,4)",C6H15NO3.C2H4O2S,,,,,,ZSRUSYMBCCXANQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.888,236-193-5,13222-16-7,"N,N'-hexane-1,6-diylbis[2-ethylhexanamide]","N,N'-hexane-1,6-diylbis(2-ethylhexanamide)",CCCCC(CC)C(=O)NCCCCCCNC(=O)C(CC)CCCC,CCCCC(CC)C(=O)NCCCCCCNC(=O)C(CC)CCCC,"InChI=1/C22H44N2O2/c1-5-9-15-19(7-3)21(25)23-17-13-11-12-14-18-24-22(26)20(8-4)16-10-6-2/h19-20H,5-18H2,1-4H3,(H,23,25)(H,24,26)",C22H44N2O2,,,,,,XZVMGPSLFYINSC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.894,236-199-8,13228-39-2,1-ethyl-2-phenyl-1H-indole,1-ethyl-2-phenyl-1H-indole,CCn1c(cc2ccccc12)c3ccccc3,CCn1c(cc2ccccc12)c3ccccc3,"InChI=1/C16H15N/c1-2-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3",C16H15N,,,,,,RAKSXVONTIQCGY-UHFFFAOYSA-N,,,,,,,,,,,
100.043.472,247-835-9,26593-77-1,Cyclohexylammonium fluoride,cyclohexanaminium fluoride,[F-].[NH3+]C1CCCCC1,[F-].[NH3+]C1CCCCC1,"InChI=1/C6H13N.FH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H",C6H13N.FH,,,,,,FVPCNTIZTYPTAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.477,247-841-1,26603-62-3,Barium magnesium orthosilicate(1:2:1),-,[MgH2].[MgH2].[Ba].[O-][Si]([O-])([O-])[O-],[MgH2].[MgH2].[Ba].[O-][Si]([O-])([O-])[O-],"InChI=1/Ba.2Mg.O4Si.4H/c;;;1-5(2,3)4;;;;/q3*+2;-4;;;;/rBa.2H2Mg.O4Si/c;;;1-5(2,3)4/h;2*1H2;/q3*+2;-4",Ba.H6O7Si2.2Mg,,,,,,LPUDORWICDQPRD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.483,247-847-4,26616-30-8,Diaminotrinitrobenzene,"3,4,5-trinitrobenzene-1,2-diamine",Nc1cc(c(c(c1N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Nc1cc(c(c(c1N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H5N5O6/c7-2-1-3(9(12)13)5(10(14)15)6(4(2)8)11(16)17/h1H,7-8H2",C6H5N5O6,,,,,,DWSHPNQTKZNJFW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.484,247-849-5,26616-34-2,"Octahydro-2,5-methano-2H-indeno[1,2-b]oxirenol","octahydro-2H-2,5-methanoindeno[1,2-b]oxiren-2-ol",OC12CCC(C1)C3CC4OC4C23,OC12CCC(C1)C3CC4OC4C23,"InChI=1/C10H14O2/c11-10-2-1-5(4-10)6-3-7-9(12-7)8(6)10/h5-9,11H,1-4H2",C10H14O2,,,,,,HUXLEEUBQNQIPG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.486,247-851-6,26619-69-2,"[1aR-(1aa,4aa,7a,8aS*)]-octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth[1,8a-b]oxirene","4,4,8,8-tetramethyloctahydro-4a,7-methanonaphtho[1,8a-b]oxirene",CC1(C)CCC2OC23C(C)(C)C4CCC13C4,CC1(C)CCC2OC23C(C)(C)C4CCC13C4,"InChI=1/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3",C15H24O,,,,,,VQHLGZRKOZIABH-UHFFFAOYSA-N,,,,,,,,,,,
100.043.488,247-853-7,26628-47-7,"9-(diethylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one","9'-(diethylamino)-3H-spiro[2-benzofuran-1,12'-benzo[a]xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc4ccccc4c3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3ccc4ccccc4c3C25OC(=O)c6ccccc56)c1,"InChI=1/C28H23NO3/c1-3-29(4-2)19-14-15-23-25(17-19)31-24-16-13-18-9-5-6-10-20(18)26(24)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3",C28H23NO3,,,,,,HMNGPLGXLQFPFN-UHFFFAOYSA-N,,,,,,,,,,,
100.043.105,247-432-8,26049-94-5,(S)-benzyl [1-benzyl-3-chloro-2-oxopropyl]carbamate,benzyl (1-benzyl-3-chloro-2-oxopropyl)carbamate,ClCC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2,ClCC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)",C18H18ClNO3,,,,,,OYHLRJGDELITAF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.107,247-434-9,26050-81-7,"Bis(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methanone","di-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethanone",O=C(c1cc2CCCN3CCCc(c1)c23)c4cc5CCCN6CCCc(c4)c56,O=C(c1cc2CCCN3CCCc(c1)c23)c4cc5CCCN6CCCc(c4)c56,"InChI=1/C25H28N2O/c28-25(21-13-17-5-1-9-26-10-2-6-18(14-21)23(17)26)22-15-19-7-3-11-27-12-4-8-20(16-22)24(19)27/h13-16H,1-12H2",C25H28N2O,,,,,,UHTVJEXRPQDUCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.043.111,247-439-6,26073-09-6,Ethyl 4-methyl-2-oxovalerate,ethyl 4-methyl-2-oxopentanoate,CCOC(=O)C(=O)CC(C)C,CCOC(=O)C(=O)CC(C)C,"InChI=1/C8H14O3/c1-4-11-8(10)7(9)5-6(2)3/h6H,4-5H2,1-3H3",C8H14O3,,,,,,MGSWAHQQBHNCEI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.114,247-442-2,26074-53-3,2-bromo-2-ethylbutyryl bromide,2-bromo-2-ethylbutanoyl bromide,CCC(Br)(CC)C(=O)Br,CCC(Br)(CC)C(=O)Br,"InChI=1/C6H10Br2O/c1-3-6(8,4-2)5(7)9/h3-4H2,1-2H3",C6H10Br2O,,,,,,LUTZMJZHVATZQM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.117,247-445-9,26078-24-0,"4,6-dimethyl-7-(methylamino)-2-benzopyrone","4,6-dimethyl-7-(methylamino)-2H-chromen-2-one",CNc1cc2OC(=O)C=C(C)c2cc1C,CNc1cc2OC(=O)C=C(C)c2cc1C,"InChI=1/C12H13NO2/c1-7-5-12(14)15-11-6-10(13-3)8(2)4-9(7)11/h4-6,13H,1-3H3",C12H13NO2,,,,,,RIZOSFDXIXBLIP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.118,247-446-4,26078-25-1,"7-(ethylamino)-4,6-dimethyl-2-benzopyrone","7-(ethylamino)-4,6-dimethyl-2H-chromen-2-one",CCNc1cc2OC(=O)C=C(C)c2cc1C,CCNc1cc2OC(=O)C=C(C)c2cc1C,"InChI=1/C13H15NO2/c1-4-14-11-7-12-10(5-9(11)3)8(2)6-13(15)16-12/h5-7,14H,4H2,1-3H3",C13H15NO2,,,,,,QZXAEJGHNXJTSE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.124,247-453-2,26092-49-9,"4,4'-dihydrazinostilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis(5-hydrazinobenzenesulfonic acid)",NNc1ccc(\\C=C\\c2ccc(NN)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,NNc1ccc(\C=C\c2ccc(NN)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C14H16N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8,17-18H,15-16H2,(H,19,20,21)(H,22,23,24)",C14H16N4O6S2,,,,,,UFBOIWPLCDSNEG-OWOJBTEDSA-N,,,,,,,,,,,
100.044.750,249-241-5,28804-88-8,Dimethylnaphthalene,"1,2-dimethylnaphthalene",Cc1ccc2ccccc2c1C,Cc1ccc2ccccc2c1C,"InChI=1/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",C12H12,,,,,,QNLZIZAQLLYXTC-UHFFFAOYSA-N,,,,,,,,,,,
100.044.757,249-248-3,28807-97-8,Bromotoluene,1-bromo-2-methylbenzene,Cc1ccccc1Br,Cc1ccccc1Br,"InChI=1/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",C7H7Br,,,,,,QSSXJPIWXQTSIX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.136,237-564-4,13843-41-9,Tetralithium diphosphate,tetralithium diphosphate,[Li+].[Li+].[Li+].[Li+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Li+].[Li+].[Li+].[Li+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/4Li.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q4*+1;;/p-6",H4O7P2.4Li,,,,,,SPIIEQLILZZXJV-UHFFFAOYSA-H,,,,,,,,,,,
100.034.146,237-575-4,13845-92-6,"1,1'-[(difluoromethylene)bis(oxy)]bis[1,2,2-trifluoroethylene]","1',2-[(difluoromethylene)bis(oxy)]bis(trifluoroethene)",FC(=C(F)OC(F)(F)OC(=C(F)F)F)F,FC(=C(F)OC(F)(F)OC(=C(F)F)F)F,"InChI=1/C5F8O2/c6-1(7)3(10)14-5(12,13)15-4(11)2(8)9",C5F8O2,,,,,,GLHFHOMOSBNTAR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.148,237-578-0,13846-13-4,Sodium o-aminobenzenesulphonate,sodium 2-aminobenzenesulfonate,[Na+].Nc1ccccc1S(=O)(=O)[O-],[Na+].Nc1ccccc1S(=O)(=O)[O-],"InChI=1/C6H7NO3S.Na/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1",C6H7NO3S.Na,,,,,,KYXOYPPMBYKBFL-UHFFFAOYSA-M,,,,,,,,,,,
100.035.958,239-570-2,15529-67-6,Sodium zirconium lactate,-,[Na+].[Zr+2].CC(O)C(=O)[O-],[Na+].[Zr+2].CC(O)C(=O)[O-],"InChI=1/C3H6O3.Na.Zr/c1-2(4)3(5)6;;/h2,4H,1H3,(H,5,6);;/q;+1;+2/p-1",C3H6O3.xNa.xZr,,,,,,RSMWMIWOUGTEFM-UHFFFAOYSA-M,,,,,,,,,,,
100.035.980,239-594-3,15546-11-9,"Methyl (Z,Z)-8,8-dibutyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate","methyl 8,8-dibutyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate",CCCC[Sn](CCCC)(OC(=O)\\C=C/C(=O)OC)OC(=O)\\C=C/C(=O)OC,CCCC[Sn](CCCC)(OC(=O)\C=C/C(=O)OC)OC(=O)\C=C/C(=O)OC,"InChI=1/2C5H6O4.2C4H9.Sn/c2*1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2*2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC18H28O8Sn/c1-5-7-13-27(14-8-6-2,25-17(21)11-9-15(19)23-3)26-18(22)12-10-16(20)24-4/h9-12H,5-8,13-14H2,1-4H3",C18H28O8Sn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13117,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.980,WNDWDJLPMLWBHW-UDVCPWNYSA-L,,,,,,,,,,,
100.035.981,239-595-9,15546-12-0,"2-ethylhexyl 6,6-dibutyl-14-ethyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate","2-ethylhexyl 6,6-dibutyl-14-ethyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dien-1-oate",O=C(O[Sn](CCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)CCCC)C=CC(=O)OCC(CC)CCCC,O=C(O[Sn](CCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)CCCC)C=CC(=O)OCC(CC)CCCC,"InChI=1/2C12H20O4.2C4H9.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H56O8Sn/c1-7-13-17-27(11-5)25-37-29(33)19-21-31(35)39-41(23-15-9-3,24-16-10-4)40-32(36)22-20-30(34)38-26-28(12-6)18-14-8-2/h19-22,27-28H,7-18,23-26H2,1-6H3",C32H56O8Sn,,,,,,NBZNVCBJBGDRJI-UHFFFAOYSA-L,,,,,,,,,,,
100.035.982,239-596-4,15546-16-4,"Butyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate","butyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dien-1-oate",CCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCC,CCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCC,"InChI=1/2C8H12O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H40O8Sn/c1-5-9-17-29-21(25)13-15-23(27)31-33(19-11-7-3,20-12-8-4)32-24(28)16-14-22(26)30-18-10-6-2/h13-16H,5-12,17-20H2,1-4H3",C24H40O8Sn,,,,,,OZDOQMMXEACZAA-NRFIWDAESA-L,,,,,,,,,,,
100.035.988,239-604-6,15548-61-5,6-bromo-2-naphthyl ß-D-glucopyranoside,6-bromo-2-naphthyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2",C16H17BrO6,,,,,,NLRXQZJJCPRATR-IBEHDNSVSA-N,,,,,,,,,,,
100.037.125,240-854-3,16832-59-0,m-bis(epoxyethyl)benzene,"2,2'-(1,2-phenylene)dioxirane",C1OC1c2ccccc2C3CO3,C1OC1c2ccccc2C3CO3,"InChI=1/C10H10O2/c1-2-4-8(10-6-12-10)7(3-1)9-5-11-9/h1-4,9-10H,5-6H2",C10H10O2,,,,,,PNKXHASQRASSBI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.983,236-297-0,13284-42-9,Pent-2-enenitrile,pent-2-enenitrile,CCC=CC#N,CCC=CC#N,"InChI=1/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3",C5H7N,,,,,,ISBHMJZRKAFTGE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.988,236-302-6,13288-86-3,Ethyl 3-(cyanomethyl)-benzoate,ethyl 3-(cyanomethyl)benzoate,CCOC(=O)c1cccc(CC#N)c1,CCOC(=O)c1cccc(CC#N)c1,"InChI=1/C11H11NO2/c1-2-14-11(13)10-5-3-4-9(8-10)6-7-12/h3-5,8H,2,6H2,1H3",C11H11NO2,,,,,,QGWJUDWWDUECLY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.990,236-304-7,13289-20-8,"(3ß,5ß)-3-[(2,6-dideoxy-4--O-ß-D-glucopyranosyl-ß-D\-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide","3-[(2,6-dideoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide",CC1OC(CC(O)C1OC2OC(CO)C(O)C(O)C2O)OC3CCC4(C=O)C5CCC6(C)C(CCC6(O)C5CCC4(O)C3)C7=CC(=O)OC7,CC1OC(CC(O)C1OC2OC(CO)C(O)C(O)C2O)OC3CCC4(C=O)C5CCC6(C)C(CCC6(O)C5CCC4(O)C3)C7=CC(=O)OC7,"InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3",C35H52O14,,,,,,KQBVSIZPUWODNU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.992,236-306-8,13290-74-9,2-chloro-5-nitrotoluene,1-chloro-2-methyl-4-nitrobenzene,Cc1cc(ccc1Cl)[N+](=O)[O-],Cc1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3",C7H6ClNO2,,,,,,BGDCQZFFNFXYQC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.108,237-534-0,13826-88-5,Zinc bis(tetrafluoroborate),zinc ditetrafluoroborate,[Zn+2].F[B-](F)(F)F.F[B-](F)(F)F,[Zn+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Zn/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Zn,,,,,,BUMIVIYHDVNOQE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.115,237-541-9,13831-30-6,Acetoxyacetic acid,acetoxyacetic acid,CC(=O)OCC(=O)O,CC(=O)OCC(=O)O,"InChI=1/C4H6O4/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)",C4H6O4,,,,,,MLXDUYUQINCFFV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.116,237-542-4,13831-31-7,2-chloro-2-oxoethyl acetate,2-chloro-2-oxoethyl acetate,CC(=O)OCC(=O)Cl,CC(=O)OCC(=O)Cl,"InChI=1/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3",C4H5ClO3,,,,,,HZDNNJABYXNPPV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.121,237-548-7,13835-75-1,p-menth-1-ene-9-ol,2-(4-methylcyclohex-3-en-1-yl)propan-1-ol,CC(CO)C1CCC(=CC1)C,CC(CO)C1CCC(=CC1)C,"InChI=1/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3",C10H18O,,,,,,ZTYHGIAOVUPAAH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.629,239-208-3,15148-80-8,3-(tert-butylamino)-1-[(6-chloro-m-tolyl)oxy]propan-2-ol hydrochloride,1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol hydrochloride,Cl.Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1,Cl.Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1,"InChI=1/C14H22ClNO2.ClH/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4;/h5-7,11,16-17H,8-9H2,1-4H3;1H",C14H22ClNO2.ClH,,,,,,WJUUZHQWGKSLIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.639,239-219-3,15163-46-9,Sodium o-dodecylbenzenesulphonate,sodium 2-dodecylbenzenesulfonate,[Na+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1",C18H30O3S.Na,,,,,,HFQQZARZPUDIFP-UHFFFAOYSA-M,,,,,,,,,,,
100.035.640,239-220-9,15165-79-4,Potassium naphthalene-1-acetate,potassium 1-naphthylacetate,[K+].[O-]C(=O)Cc1cccc2ccccc12,[K+].[O-]C(=O)Cc1cccc2ccccc12,"InChI=1/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1",C12H10O2.K,,,,,,HPQBUYIHTJNBOM-UHFFFAOYSA-M,,,,,,,,,,,
100.030.769,233-859-7,10397-58-7,3-nitro-p-anisamide,4-methoxy-3-nitrobenzamide,COc1ccc(cc1[N+](=O)[O-])C(=O)N,COc1ccc(cc1[N+](=O)[O-])C(=O)N,"InChI=1/C8H8N2O4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3,(H2,9,11)",C8H8N2O4,,,,,,PCQFJXUTKOUTRW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.773,233-863-9,10400-19-8,Nicotinoyl chloride,nicotinoyl chloride,ClC(=O)c1cccnc1,ClC(=O)c1cccnc1,InChI=1/C6H4ClNO/c7-6(9)5-2-1-3-8-4-5/h1-4H,C6H4ClNO,,,,,,ATBIAJXSKNPHEI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.774,233-864-4,10401-55-5,Hexadecyl (R)-12-hydroxyoleate,hexadecyl 12-hydroxyoctadec-9-enoate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C34H66O3/c1-3-5-7-9-10-11-12-13-14-15-18-21-24-28-32-37-34(36)31-27-23-20-17-16-19-22-26-30-33(35)29-25-8-6-4-2/h22,26,33,35H,3-21,23-25,27-32H2,1-2H3",C34H66O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17565,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.774,XAMHKORMKJIEFW-AYTKPMRMSA-N,,,,,,,,,,,
100.030.782,233-873-3,10402-90-1,Eprazinone,3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one,CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c3ccccc3,CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c3ccccc3,"InChI=1/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3",C24H32N2O2,,,,,,BSHWLCACYCVCJE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.785,233-877-5,10406-25-4,4-(aminomethyl)benzonitrile,4-(aminomethyl)benzonitrile,NCc1ccc(cc1)C#N,NCc1ccc(cc1)C#N,"InChI=1/C8H8N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5,9H2",C8H8N2,,,,,,LFIWXXXFJFOECP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.786,233-878-0,10408-29-4,(2-methoxyphenyl)glycolic acid,hydroxy(2-methoxyphenyl)acetic acid,COc1ccccc1C(O)C(=O)O,COc1ccccc1C(O)C(=O)O,"InChI=1/C9H10O4/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)",C9H10O4,,,,,,HNYBRPOTLDAYRG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.787,233-879-6,10409-54-8,Phenyl 2-bromo-2-propyl ketone,2-bromo-2-methyl-1-phenylpropan-1-one,CC(C)(Br)C(=O)c1ccccc1,CC(C)(Br)C(=O)c1ccccc1,"InChI=1/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3",C10H11BrO,,,,,,QMOSZSHTSOWPRX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.788,233-880-1,10410-20-5,"2-(1-hydroxy-1-methyl-2-oxopropyl)-2,5-dimethylfuran-3(2H)-one","5-C-acetyl-1,4-anhydro-2,6-dideoxy-1,4-dimethylhex-1-en-3-ulose",CC(=O)C(C)(O)C1(C)OC(=CC1=O)C,CC(=O)C(C)(O)C1(C)OC(=CC1=O)C,"InChI=1/C10H14O4/c1-6-5-8(12)10(4,14-6)9(3,13)7(2)11/h5,13H,1-4H3",C10H14O4,,,,,,CAIJWAJUXIPUNS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.790,233-882-2,10411-93-5,cis-4-tert-butylcyclohexyl propionate,4-tert-butylcyclohexyl propionate,CCC(=O)O[C@@H]1CC[C@@H](CC1)C(C)(C)C,CCC(=O)O[C@@H]1CC[C@@H](CC1)C(C)(C)C,"InChI=1/C13H24O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,QYJZYJNCDKAFJR-PHIMTYICSA-N,,,,,,,,,,,
100.030.791,233-883-8,10411-95-7,trans-4-tert-butylcyclohexyl propionate,4-tert-butylcyclohexyl propionate,CCC(=O)O[C@@H]1CC[C@H](CC1)C(C)(C)C,CCC(=O)O[C@@H]1CC[C@H](CC1)C(C)(C)C,"InChI=1/C13H24O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,QYJZYJNCDKAFJR-XYPYZODXSA-N,,,,,,,,,,,
100.032.897,236-202-2,13230-43-8,1-allyl-2-methyl-5-nitro-1H-imidazole,1-allyl-2-methyl-5-nitro-1H-imidazole,Cc1ncc([N+](=O)[O-])n1CC=C,Cc1ncc([N+](=O)[O-])n1CC=C,"InChI=1/C7H9N3O2/c1-3-4-9-6(2)8-5-7(9)10(11)12/h3,5H,1,4H2,2H3",C7H9N3O2,,,,,,FRPCZQWGVIAXPC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.903,236-209-0,13235-60-4,4-methoxyisophthaloyl dichloride,4-methoxyisophthaloyl dichloride,COc1ccc(cc1C(=O)Cl)C(=O)Cl,COc1ccc(cc1C(=O)Cl)C(=O)Cl,"InChI=1/C9H6Cl2O3/c1-14-7-3-2-5(8(10)12)4-6(7)9(11)13/h2-4H,1H3",C9H6Cl2O3,,,,,,FKPCRVTXBLUQBV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.907,236-213-2,13237-74-6,Sodium (3-cyclohexen-1-ylhydroxymethyl)phosphinate,sodium [cyclohex-3-en-1-yl(hydroxy)methyl]phosphinate,[Na+].OC(C1CCC=CC1)P(=O)[O-],[Na+].OC(C1CCC=CC1)P(=O)[O-],"InChI=1/C7H13O3P.Na/c8-7(11(9)10)6-4-2-1-3-5-6;/h1-2,6-8,11H,3-5H2,(H,9,10);/q;+1/p-1",C7H13O3P.Na,,,,,,QCIAAZNFLVIGQR-UHFFFAOYSA-M,,,,,,,,,,,
100.032.908,236-214-8,13239-97-9,2-thiocytidine,4-amino-1-pentofuranosylpyrimidine-2(1H)-thione,NC1=NC(=S)N(C=C1)C2OC(CO)C(O)C2O,NC1=NC(=S)N(C=C1)C2OC(CO)C(O)C2O,"InChI=1/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)",C9H13N3O4S,,,,,,RHFUOMFWUGWKKO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.909,236-215-3,13241-32-2,"(S)-7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside",CC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)c(O)c5)C(O)C(O)C1O,CC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)c(O)c5)C(O)C(O)C1O,"InChI=1/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3",C27H32O15,,,,,,OBKKEZLIABHSGY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.913,236-220-0,13242-21-2,Zirconium tetraphenolate,zirconium tetraphenolate,[Zr+2].[Zr+2].[O-]c1ccccc1.[O-]c2ccccc2.[O-]c3ccccc3.[O-]c4ccccc4,[Zr+2].[Zr+2].[O-]c1ccccc1.[O-]c2ccccc2.[O-]c3ccccc3.[O-]c4ccccc4,"InChI=1/4C6H6O.2Zr/c4*7-6-4-2-1-3-5-6;;/h4*1-5,7H;;/q;;;;2*+2/p-4",C6H6O.1/4Zr,,,,,,SCUBWBNOQZFNHY-UHFFFAOYSA-J,,,,,,,,,,,
100.032.915,236-222-1,13242-55-2,"1,6-anhydro-ß-D-glucose triacetate","6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate (non-preferred name)",CC(=O)O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@@H]2CO1,CC(=O)O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@@H]2CO1,"InChI=1/C12H16O8/c1-5(13)17-9-8-4-16-12(20-8)11(19-7(3)15)10(9)18-6(2)14/h8-12H,4H2,1-3H3",C12H16O8,,,,,,BAKQMOSGYGQJOJ-RMPHRYRLSA-N,,,,,,,,,,,
100.032.924,236-232-6,13250-12-9,(R)-sec-butylamine,butan-2-amine,CC[C@@H](C)N,CC[C@@H](C)N,"InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3",C4H11N,,,,,,BHRZNVHARXXAHW-SCSAIBSYSA-N,,,,,,,,,,,
100.035.520,239-088-2,14999-43-0,Bis(2-ammonio-2-deoxy-D-glucose) sulphate,bis(2-ammonio-2-deoxy-D-glucose) sulfate,[NH3+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.[NH3+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]S(=O)(=O)[O-],[NH3+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.[NH3+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]S(=O)(=O)[O-],"InChI=1/2C6H13NO5.H2O4S/c2*7-3(1-8)5(11)6(12)4(10)2-9;1-5(2,3)4/h2*1,3-6,9-12H,2,7H2;(H2,1,2,3,4)",C6H13NO5.1/2H2O4S,,,,,,WLNBMPZUVDTASE-HXIISURNSA-N,,,,,,,,,,,
100.035.521,239-089-8,14999-44-1,2-amino-2-deoxy-D-glucose hydroiodide,2-amino-2-deoxy-D-glucose hydroiodide,I.N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,I.N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C6H13NO5.HI/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H",C6H13NO5.HI,,,,,,CAOFVLJHCHGTGE-BTVCFUMJSA-N,,,,,,,,,,,
100.035.524,239-092-4,14999-97-4,"6,8,25,27-tetrahydrobisnaphtho[2',3':6,7]indolo[2,3-c:2',3'-c']dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:5,4-a']dicarbazole-5,7,9,14,19,24,26,28,33,38-decaone",-,O=C1CC2=C3C(=NC2=C4C=C5C(=O)C=CC=C5C=C14)C6=CC7=C8N=C9C%10=C(CC(=O)C9=C8C%11=C%12CC(=O)C%13=CC%14=CC=CC(=O)C%14=CC%13=C%12N=C%11C7=CC6=C%15N=C%16C%17=C(CC(=O)C%16=C3%15)C(=O)c%18ccccc%18C%17=O)C(=O)c%19ccccc%19C%10=O,O=C1CC2=C3C(=NC2=C4C=C5C(=O)C=CC=C5C=C14)C6=CC7=C8N=C9C%10=C(CC(=O)C9=C8C%11=C%12CC(=O)C%13=CC%14=CC=CC(=O)C%14=CC%13=C%12N=C%11C7=CC6=C%15N=C%16C%17=C(CC(=O)C%16=C3%15)C(=O)c%18ccccc%18C%17=O)C(=O)c%19ccccc%19C%10=O,"InChI=1/C70H28N4O10/c75-45-13-5-7-25-15-33-35(17-31(25)45)59-41(21-47(33)77)51-57-55-49(79)23-43-53(69(83)29-11-3-1-9-27(29)67(43)81)65(55)73-63(57)39-19-38-40(20-37(39)61(51)71-59)64-58(56-50(80)24-44-54(66(56)74-64)70(84)30-12-4-2-10-28(30)68(44)82)52-42-22-48(78)34-16-26-8-6-14-46(76)32(26)18-36(34)60(42)72-62(38)52/h1-20H,21-24H2",C70H28N4O10,,,,,,PDBRTZGDLFWTSP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.530,239-099-2,15014-25-2,Dibenzyl malonate,dibenzyl malonate,O=C(CC(=O)OCc1ccccc1)OCc2ccccc2,O=C(CC(=O)OCc1ccccc1)OCc2ccccc2,"InChI=1/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2",C17H16O4,,,,,,RYFCSKVXWRJEOB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.539,239-109-5,15028-44-1,Methyl 3-phenyl-DL-alaninate,methyl L-phenylalaninate,COC(=O)[C@@H](N)Cc1ccccc1,COC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3",C10H13NO2,,,,,,VSDUZFOSJDMAFZ-VIFPVBQESA-N,,,,,,,,,,,
100.035.540,239-110-0,15028-56-5,"4-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolane","4-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolane",CC1(C)OCC(COCc2ccccc2)O1,CC1(C)OCC(COCc2ccccc2)O1,"InChI=1/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3",C13H18O3,,,,,,DBFDSKSLTCMIPB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.758,249-249-9,28809-04-3,S-[2-(4-pyridyl)ethyl]-L-cysteine,S-(2-pyridin-4-ylethyl)-L-cysteine,OC(=O)[C@@H](N)CSCCc1ccncc1,OC(=O)[C@@H](N)CSCCc1ccncc1,"InChI=1/C10H14N2O2S/c11-9(10(13)14)7-15-6-3-8-1-4-12-5-2-8/h1-2,4-5,9H,3,6-7,11H2,(H,13,14)",C10H14N2O2S,,,,,,OBAZTSDKFIRVPD-VIFPVBQESA-N,,,,,,,,,,,
100.044.762,249-254-6,28818-24-8,"Isopropyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoate","isopropyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate",CC(C)OC(=O)c1ccccc1C(=C2C=C(Br)C(=O)C(=C2)Br)c3cc(Br)c(O)c(Br)c3,CC(C)OC(=O)c1ccccc1C(=C2C=C(Br)C(=O)C(=C2)Br)c3cc(Br)c(O)c(Br)c3,"InChI=1/C23H16Br4O4/c1-11(2)31-23(30)15-6-4-3-5-14(15)20(12-7-16(24)21(28)17(25)8-12)13-9-18(26)22(29)19(27)10-13/h3-11,28H,1-2H3",C23H16Br4O4,,,,,,LLJOTVJDOVGQAD-UHFFFAOYSA-N,,,,,,,,,,,
100.044.763,249-255-1,28818-70-4,"(20S)-pregnane-3a,20-diol","pregnane-3,20-diol",C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3",C21H36O2,,,,,,YWYQTGBBEZQBGO-TUSLFBNQSA-N,,,,,,,,,,,
100.044.764,249-256-7,28819-89-8,"2,2'-[(3-nitrophenyl)imino]bisethyl diacetate","[(3-nitrophenyl)imino]diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(=O)C)c1cccc(c1)[N+](=O)[O-],CC(=O)OCCN(CCOC(=O)C)c1cccc(c1)[N+](=O)[O-],"InChI=1/C14H18N2O6/c1-11(17)21-8-6-15(7-9-22-12(2)18)13-4-3-5-14(10-13)16(19)20/h3-5,10H,6-9H2,1-2H3",C14H18N2O6,,,,,,PMKZSNHGWMGRPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.768,249-260-9,28822-73-3,"(±)-4-(1,2-dihydroxyethyl)pyrocatechol","4-(1,2-dihydroxyethyl)benzene-1,2-diol",OCC(O)c1ccc(O)c(O)c1,OCC(O)c1ccc(O)c(O)c1,"InChI=1/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2",C8H10O4,,,,,,MTVWFVDWRVYDOR-UHFFFAOYSA-N,,,,,,,,,,,
100.040.231,244-271-5,21211-23-4,"Methyl 3-chlorobenzo[b]thiophene-2-carboxylate 1,1-dioxide","methyl 3-chloro-1-benzothiophene-2-carboxylate 1,1-dioxide",COC(=O)C1=C(Cl)c2ccccc2S1(=O)=O,COC(=O)C1=C(Cl)c2ccccc2S1(=O)=O,"InChI=1/C10H7ClO4S/c1-15-10(12)9-8(11)6-4-2-3-5-7(6)16(9,13)14/h2-5H,1H3",C10H7ClO4S,,,,,,XZEOEVIFVQYNGI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.233,244-273-6,21213-68-3,"5-((5-(3,3-dimethyloxiranyl)-3-methylallyl)oxy)benzo-1,3-dioxole","5-{[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl]oxy}-1,3-benzodioxole",CC(=CCOc1ccc2OCOc2c1)CCC3OC3(C)C,CC(=CCOc1ccc2OCOc2c1)CCC3OC3(C)C,"InChI=1/C17H22O4/c1-12(4-7-16-17(2,3)21-16)8-9-18-13-5-6-14-15(10-13)20-11-19-14/h5-6,8,10,16H,4,7,9,11H2,1-3H3",C17H22O4,,,,,,LTERBDAWQYNNFX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.244,244-285-1,21238-33-5,"(3ß)-9,19-cyclolanost-24-en-3-yl 4-hydroxy-3-methoxycinnamate","9,19-cyclolanost-24-en-3-yl 3-(4-hydroxy-3-methoxyphenyl)acrylate",COc1cc(\\C=C\\C(=O)O[C@H]2CC[C@]34C[C@@]35CC[C@]6(C)[C@H](CC[C@@]6(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](C)CCC=C(C)C)ccc1O,COc1cc(\C=C\C(=O)O[C@H]2CC[C@]34C[C@@]35CC[C@]6(C)[C@H](CC[C@@]6(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](C)CCC=C(C)C)ccc1O,"InChI=1/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3",C40H58O4,,,,,,FODTZLFLDFKIQH-URAFZKBNSA-N,,,,,,,,,,,
100.040.246,244-287-2,21240-34-6,"4,5-diphenyl-1,3-dioxol-2-one","4,5-diphenyl-1,3-dioxol-2-one",O=C1OC(=C(O1)c2ccccc2)c3ccccc3,O=C1OC(=C(O1)c2ccccc2)c3ccccc3,InChI=1/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,C15H10O3,,,,,,SROHGOJDCAODGI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.248,244-289-3,21245-02-3,2-ethylhexyl 4-(dimethylamino)benzoate,2-ethylhexyl 4-(dimethylamino)benzoate,CCCCC(CC)COC(=O)c1ccc(cc1)N(C)C,CCCCC(CC)COC(=O)c1ccc(cc1)N(C)C,"InChI=1/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3",C17H27NO2,,,,,,WYWZRNAHINYAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.880,246-083-9,24216-05-5,"3,4-bis[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-oxooctyl)amino]benzenesulphonyl chloride","3,4-bis[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]benzenesulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)Cl,"InChI=1/C22H5ClF30N2O4S/c23-60(58,59)4-1-2-5(54-7(56)9(24,25)11(28,29)13(32,33)15(36,37)17(40,41)19(44,45)21(48,49)50)6(3-4)55-8(57)10(26,27)12(30,31)14(34,35)16(38,39)18(42,43)20(46,47)22(51,52)53/h1-3H,(H,54,56)(H,55,57)",C22H5ClF30N2O4S,,,,,,PEVCFUGKAIGEMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.881,246-084-4,24216-72-6,Cerium triiodate,cerium(3+) triiodate,[Ce+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Ce+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Ce.3HIO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+3;;;/p-3",Ce.3HIO3,,,,,,PQHURNLQKOJVNY-UHFFFAOYSA-K,,,,,,,,,,,
100.041.886,246-090-7,24221-86-1,2-methylamino-1-phenylpropan-2-ol hydrochloride,2-(methylamino)-1-phenylpropan-2-ol hydrochloride,Cl.CNC(C)(O)Cc1ccccc1,Cl.CNC(C)(O)Cc1ccccc1,"InChI=1/C10H15NO.ClH/c1-10(12,11-2)8-9-6-4-3-5-7-9;/h3-7,11-12H,8H2,1-2H3;1H",C10H15NO.ClH,,,,,,HKSOLZAVVMMXLP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.993,236-307-3,13290-96-5,Dimethyl 5-nitroisophthalate,dimethyl 5-nitroisophthalate,COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC,COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC,"InChI=1/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3",C10H9NO6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5448,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.993,GGTSJKFPGKFLCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.997,236-312-0,13292-46-1,Rifampicin,"5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-{[(4-methylpiperazin-1-yl)imino]methyl}-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate",CN1CCN(CC1)N=Cc2c(O)c3c5C(=O)[C@@]4(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\\C=C\\C=C(\\C)C(=O)Nc2c(O)c3c(O)c(C)c5O4,CN1CCN(CC1)N=Cc2c(O)c3c5C(=O)[C@@]4(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(\C)C(=O)Nc2c(O)c3c(O)c(C)c5O4,"InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)",C43H58N4O12,,,,,,JQXXHWHPUNPDRT-ZNQWNCHJSA-N,,,,,,,,,,,
100.032.999,236-314-1,13293-59-9,3-methylcyclohexanecarboxylic acid,3-methylcyclohexanecarboxylic acid,CC1CCCC(C1)C(=O)O,CC1CCCC(C1)C(=O)O,"InChI=1/C8H14O2/c1-6-3-2-4-7(5-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)",C8H14O2,,,,,,CIFSKZDQGRCLBN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.503,237-969-6,14113-02-1,Ethyl 7-chloro-7-formylheptanoate,ethyl 7-chloro-8-oxooctanoate,CCOC(=O)CCCCCC(Cl)C=O,CCOC(=O)CCCCCC(Cl)C=O,"InChI=1/C10H17ClO3/c1-2-14-10(13)7-5-3-4-6-9(11)8-12/h8-9H,2-7H2,1H3",C10H17ClO3,,,,,,FMANXNQTSIOTCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.504,237-970-1,14114-05-7,Cyclopropyltriphenylphosphonium bromide,cyclopropyl(triphenyl)phosphonium bromide,[Br-].C1CC1[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].C1CC1[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1",C21H20P.Br,,,,,,XMPWFKHMCNRJCL-UHFFFAOYSA-M,,,,,,,,,,,
100.034.519,237-986-9,14133-73-4,"(R*,R*)-9-acetoxy-10-hydroxyoctadecanoic acid",9-acetoxy-10-hydroxyoctadecanoic acid,CCCCCCCCC(O)C(CCCCCCCC(=O)O)OC(=O)C,CCCCCCCCC(O)C(CCCCCCCC(=O)O)OC(=O)C,"InChI=1/C20H38O5/c1-3-4-5-6-8-11-14-18(22)19(25-17(2)21)15-12-9-7-10-13-16-20(23)24/h18-19,22H,3-16H2,1-2H3,(H,23,24)",C20H38O5,,,,,,PEHFQVGCCUZNMA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.622,239-201-5,15139-76-1,"Disodium 3-ethyl 4,5-dihydro-5-oxo-4-[(4-sulphonato-1-naphthyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","disodium 4-{[3-(ethoxycarbonyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=NC2\\C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)C(=O)OCC)c3ccccc34,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=NC2\C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)C(=O)OCC)c3ccccc34,"InChI=1/C22H18N4O9S2.2Na/c1-2-35-22(28)20-19(21(27)26(25-20)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17;;/h3-12,19H,2H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H18N4O9S2.2Na,,,,,,BLQVZCMYWIKAGV-UHFFFAOYSA-L,,,,,,,,,,,
100.038.251,242-092-7,18204-80-3,2-(trichlorosilyl)ethyl acetate,2-(trichlorosilyl)ethyl acetate,CC(=O)OCC[Si](Cl)(Cl)Cl,CC(=O)OCC[Si](Cl)(Cl)Cl,"InChI=1/C4H7Cl3O2Si/c1-4(8)9-2-3-10(5,6)7/h2-3H2,1H3",C4H7Cl3O2Si,,,,,,DPFKBFAYVWIVRK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.257,242-099-5,18217-00-0,4-(2-chloroethyl)phenyl methyl ether,1-(2-chloroethyl)-4-methoxybenzene,COc1ccc(CCCl)cc1,COc1ccc(CCCl)cc1,"InChI=1/C9H11ClO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3",C9H11ClO,,,,,,PMIAMRAWHYEPNH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.258,242-100-9,18218-04-7,Tetraethylammonium cyanate,"N,N,N-triethylethanaminium cyanate",CC[N+](CC)(CC)CC.[O-]C#N,CC[N+](CC)(CC)CC.[O-]C#N,"InChI=1/C8H20N.CHNO/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;3H/q+1;/p-1",C8H20N.CNO,,,,,,YVMHKCAQRHAEMF-UHFFFAOYSA-M,,,,,,,,,,,
100.038.267,242-110-3,18229-78-2,"1,1-diethoxyhex-2-yne","1,1-diethoxyhex-2-yne",CCCC#CC(OCC)OCC,CCCC#CC(OCC)OCC,"InChI=1/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-7H2,1-3H3",C10H18O2,,,,,,VUNHOKCOJYJVBT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.273,242-117-1,18244-20-7,(3-chloro-2-methylpropyl)dimethoxymethylsilane,"(4-chloro-1,1-dimethoxy-3-methylbutyl)silane",COC([SiH3])(CC(C)CCl)OC,COC([SiH3])(CC(C)CCl)OC,"InChI=1/C7H17ClO2Si/c1-6(5-8)4-7(11,9-2)10-3/h6H,4-5H2,1-3,11H3",C7H17ClO2Si,,,,,,IHXMXIBDDHNNRD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.279,242-123-4,18246-71-4,Butoxyethoxydimethylsilane,butoxy(ethoxy)dimethylsilane,CCCCO[Si](C)(C)OCC,CCCCO[Si](C)(C)OCC,"InChI=1/C8H20O2Si/c1-5-7-8-10-11(3,4)9-6-2/h5-8H2,1-4H3",C8H20O2Si,,,,,,LYXUVLCTCDPUQO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.284,242-129-7,18257-21-1,4-chloro-3-methylpyrocatechol,"4-chloro-3-methylbenzene-1,2-diol",Cc1c(O)c(O)ccc1Cl,Cc1c(O)c(O)ccc1Cl,"InChI=1/C7H7ClO2/c1-4-5(8)2-3-6(9)7(4)10/h2-3,9-10H,1H3",C7H7ClO2,,,,,,IRYAHOGVOVVMOG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.287,242-132-3,18261-92-2,Octadecan-3-one,octadecan-3-one,CCCCCCCCCCCCCCCC(=O)CC,CCCCCCCCCCCCCCCC(=O)CC,"InChI=1/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2/h3-17H2,1-2H3",C18H36O,,,,,,LMCGARAPKXJPNG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.795,233-888-5,10415-86-8,4-methylphenyl valerate,4-methylphenyl valerate,CCCCC(=O)Oc1ccc(C)cc1,CCCCC(=O)Oc1ccc(C)cc1,"InChI=1/C12H16O2/c1-3-4-5-12(13)14-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3",C12H16O2,,,,,,XDIFYXKFWPNGRV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.796,233-889-0,10415-87-9,3-methyl-1-phenylpentan-3-ol,3-methyl-1-phenylpentan-3-ol,CCC(C)(O)CCc1ccccc1,CCC(C)(O)CCc1ccccc1,"InChI=1/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3",C12H18O,,,,,,AEJRTNBCFUOSEM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.798,233-891-1,10416-58-7,"N,N-bis(trimethylsilyl)acetamide","N,N-bis(trimethylsilyl)acetamide",CC(=O)N([Si](C)(C)C)[Si](C)(C)C,CC(=O)N([Si](C)(C)C)[Si](C)(C)C,"InChI=1/C8H21NOSi2/c1-8(10)9(11(2,3)4)12(5,6)7/h1-7H3",C8H21NOSi2,,,,,,VTACLVUOTMPORB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.801,233-894-8,10418-03-8,Stanozolol,"1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol",C[C@]5(O)CC[C@@H]2[C@]5(C)CC[C@@H]1[C@@]3(C)Cc4cnnc4C[C@@H]3CC[C@H]12,C[C@]5(O)CC[C@@H]2[C@]5(C)CC[C@@H]1[C@@]3(C)Cc4cnnc4C[C@@H]3CC[C@H]12,"InChI=1/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)",C21H32N2O,,,,,,LKAJKIOFIWVMDJ-IYRCEVNGSA-N,,,,,,,,,,,
100.030.802,233-895-3,10419-77-9,Diethyl (iodomethyl)phosphonate,diethyl (iodomethyl)phosphonate,CCOP(=O)(CI)OCC,CCOP(=O)(CI)OCC,"InChI=1/C5H12IO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3",C5H12IO3P,,,,,,PNFHTBDRPOJJTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.807,233-901-4,10422-66-9,Bis(3-hydroxy-p-tolylammonium) sulphate,bis(3-hydroxy-4-methylanilinium) sulfate,Cc1ccc([NH3+])cc1O.Cc2ccc([NH3+])cc2O.[O-]S(=O)(=O)[O-],Cc1ccc([NH3+])cc1O.Cc2ccc([NH3+])cc2O.[O-]S(=O)(=O)[O-],"InChI=1/2C7H9NO.H2O4S/c2*1-5-2-3-6(8)4-7(5)9;1-5(2,3)4/h2*2-4,9H,8H2,1H3;(H2,1,2,3,4)",C7H9NO.1/2H2O4S,,,,,,DFXDIGLMOMCJFC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.808,233-903-5,10423-86-6,2-[ethyl[4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]ethyl phenoxyacetate,2-[ethyl(4-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}phenyl)amino]ethyl phenoxyacetate,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC)CCOC(=O)COc2ccccc2)c(c3)S(C)(=O)=O,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC)CCOC(=O)COc2ccccc2)c(c3)S(C)(=O)=O,"InChI=1/C25H26N4O7S/c1-3-28(15-16-35-25(30)18-36-22-7-5-4-6-8-22)20-11-9-19(10-12-20)26-27-23-14-13-21(29(31)32)17-24(23)37(2,33)34/h4-14,17H,3,15-16,18H2,1-2H3",C25H26N4O7S,,,,,,JKUPLXDGBBCICA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.809,233-904-0,10428-19-0,"1,1,3,3-tetrabutyl-1,3-dichlorodistannoxane","1,1,3,3-tetrabutyl-1,3-dichlorodistannoxane",CCCC[Sn](Cl)(CCCC)O[Sn](Cl)(CCCC)CCCC,CCCC[Sn](Cl)(CCCC)O[Sn](Cl)(CCCC)CCCC,"InChI=1/4C4H9.2ClH.O.2Sn/c4*1-3-4-2;;;;;/h4*1,3-4H2,2H3;2*1H;;;/q;;;;;;;2*+1/p-2/rC16H36Cl2OSn2/c1-5-9-13-20(17,14-10-6-2)19-21(18,15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C16H36Cl2OSn2,,,,,,MWFOVBOCPFXQMF-UHFFFAOYSA-L,,,,,,,,,,,
100.030.814,233-909-8,10431-47-7,Potassium selenite,dipotassium selenite,[K+].[K+].[O-][Se](=O)[O-],[K+].[K+].[O-][Se](=O)[O-],"InChI=1/2K.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",H2O3Se.2K,,,,,,RNGFNLJMTFPHBS-UHFFFAOYSA-L,,,,,,,,,,,
100.030.818,233-914-5,10433-06-4,Antimony triethoxide,triethyl antimonite,CCO[Sb](OCC)OCC,CCO[Sb](OCC)OCC,"InChI=1/3C2H5O.Sb/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3/rC6H15O3Sb/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3",C2H6O.1/3Sb,,,,,,JGOJQVLHSPGMOC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.819,233-915-0,10433-41-7,Potassium dimethyl 5-sulphonatoisophthalate,"potassium 3,5-bis(methoxycarbonyl)benzenesulfonate",[K+].COC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)OC,[K+].COC(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)OC,"InChI=1/C10H10O7S.K/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1",C10H10O7S.K,,,,,,FJIZBDJKYXYPAE-UHFFFAOYSA-M,,,,,,,,,,,
100.037.972,241-786-7,17829-66-2,Cobalt glycinate,cobalt(2+) bis(aminoacetate),[Co+2].NCC(=O)[O-].NCC(=O)[O-],[Co+2].NCC(=O)[O-].NCC(=O)[O-],"InChI=1/2C2H5NO2.Co/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",C2H5NO2.xCo,,,,,,XCTITUGPTCDTON-UHFFFAOYSA-L,,,,,,,,,,,
100.037.975,241-789-3,17831-71-9,"Oxybis(2,1-ethanediyloxy-2,1-ethanediyl)diacrylate","13-oxo-3,6,9,12-tetraoxapentadec-14-en-1-yl acrylate (non-preferred name)",C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,"InChI=1/C14H22O7/c1-3-13(15)20-11-9-18-7-5-17-6-8-19-10-12-21-14(16)4-2/h3-4H,1-2,5-12H2",C14H22O7,,,,,,HCLJOFJIQIJXHS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.977,241-791-4,17832-16-5,"Triallyl benzene-1,3,5-tricarboxylate","triallyl benzene-1,3,5-tricarboxylate",C=CCOC(=O)c1cc(cc(c1)C(=O)OCC=C)C(=O)OCC=C,C=CCOC(=O)c1cc(cc(c1)C(=O)OCC=C)C(=O)OCC=C,"InChI=1/C18H18O6/c1-4-7-22-16(19)13-10-14(17(20)23-8-5-2)12-15(11-13)18(21)24-9-6-3/h4-6,10-12H,1-3,7-9H2",C18H18O6,,,,,,VOSUIKFOFHZNED-UHFFFAOYSA-N,,,,,,,,,,,
100.037.978,241-793-5,17832-28-9,4-(vinyloxy)butan-1-ol,4-(vinyloxy)butan-1-ol,OCCCCOC=C,OCCCCOC=C,"InChI=1/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2",C6H12O2,Full,Joint,10+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11952,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.978,HMBNQNDUEFFFNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.982,241-797-7,17841-46-2,Methoxytripropylsilane,methoxy(tripropyl)silane,CCC[Si](CCC)(CCC)OC,CCC[Si](CCC)(CCC)OC,"InChI=1/C10H24OSi/c1-5-8-12(11-4,9-6-2)10-7-3/h5-10H2,1-4H3",C10H24OSi,,,,,,FUMSHFZKHQOOIX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.542,239-112-1,15029-32-0,4-(cyanoacetyl)morpholine,3-morpholin-4-yl-3-oxopropanenitrile,O=C(CC#N)N1CCOCC1,O=C(CC#N)N1CCOCC1,"InChI=1/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2",C7H10N2O2,,,,,,AUZPMUJGZZSMCP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.543,239-113-7,15038-67-2,"O,o'-sulphonylbisphenol","2,2'-sulfonyldiphenol",Oc1ccccc1S(=O)(=O)c2ccccc2O,Oc1ccccc1S(=O)(=O)c2ccccc2O,"InChI=1/C12H10O4S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8,13-14H",C12H10O4S,,,,,,QUWAJPZDCZDTJS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.547,239-117-9,15045-43-9,"Tetrahydro-2,2,5,5-tetramethylfuran","2,2,5,5-tetramethyltetrahydrofuran",CC1(C)CCC(C)(C)O1,CC1(C)CCC(C)(C)O1,"InChI=1/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3",C8H16O,,,,,,BBLDTXFLAHKYFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.550,239-121-0,15052-19-4,Sodium 1-phenyl-1H-tetrazole-5-thiolate,sodium 1-phenyl-1H-tetrazole-5-thiolate,[Na+].[S-]c1nnnn1c2ccccc2,[Na+].[S-]c1nnnn1c2ccccc2,"InChI=1/C7H6N4S.Na/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);/q;+1/p-1",C7H6N4S.Na,,,,,,RSZMKAPXKXEWBY-UHFFFAOYSA-M,,,,,,,,,,,
100.035.555,239-126-8,15060-64-7,Zinc phosphinate,zinc bis(phosphinate),[Zn+2].[O-]P=O.[O-]P=O,[Zn+2].[O-]P=O.[O-]P=O,"InChI=1/2HO2P.Zn/c2*1-3-2;/h2*(H,1,2);/q;;+2/p-2",H3O2P.1/2Zn,,,,,,LNURNUMMNGNGAO-UHFFFAOYSA-L,,,,,,,,,,,
100.032.573,235-846-1,13005-52-2,Ethyl N-methyl-N-(1-oxododecyl)aminoacetate,ethyl N-dodecanoyl-N-methylglycinate,CCCCCCCCCCCC(=O)N(C)CC(=O)OCC,CCCCCCCCCCCC(=O)N(C)CC(=O)OCC,"InChI=1/C17H33NO3/c1-4-6-7-8-9-10-11-12-13-14-16(19)18(3)15-17(20)21-5-2/h4-15H2,1-3H3",C17H33NO3,,,,,,SYMLPHXUMNTFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.575,235-848-2,13006-29-6,"Undecane-1,2-diol","undecane-1,2-diol",CCCCCCCCCC(O)CO,CCCCCCCCCC(O)CO,"InChI=1/C11H24O2/c1-2-3-4-5-6-7-8-9-11(13)10-12/h11-13H,2-10H2,1H3",C11H24O2,,,,,,BUMVVNKGNPPUME-UHFFFAOYSA-N,,,,,,,,,,,
100.032.576,235-849-8,13007-85-7,Sodium D-glycero-D-gulo-heptonate,"sodium 2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name)",[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-],[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1",C7H14O8.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12268,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.576,FMYOMWCQJXWGEN-WYRLRVFGSA-M,,,,,,,,,,,
100.032.580,235-854-5,13009-91-1,"2,4,6-tris(2-methylaziridin-1-yl)-1,3,5-triazine","2,4,6-tris(2-methylaziridin-1-yl)-1,3,5-triazine",CC1CN1c2nc(nc(n2)N3CC3C)N4CC4C,CC1CN1c2nc(nc(n2)N3CC3C)N4CC4C,"InChI=1/C12H18N6/c1-7-4-16(7)10-13-11(17-5-8(17)2)15-12(14-10)18-6-9(18)3/h7-9H,4-6H2,1-3H3",C12H18N6,,,,,,IRIIKYVSZMJVNX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.581,235-855-0,13009-99-9,a-aminotoluene-4-sulphonamide monoacetate,4-(aminomethyl)benzenesulfonamide acetate,CC(=O)O.NCc1ccc(cc1)S(=O)(=O)N,CC(=O)O.NCc1ccc(cc1)S(=O)(=O)N,"InChI=1/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4)",C7H10N2O2S.C2H4O2,,,,,,UILOTUUZKGTYFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.585,235-859-2,13010-47-4,Lomustine,1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea,ClCCN(N=O)C(=O)NC1CCCCC1,ClCCN(N=O)C(=O)NC1CCCCC1,"InChI=1/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)",C9H16ClN3O2,,,,,,GQYIWUVLTXOXAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.592,235-867-6,13013-17-7,(±)-1-(isopropylamino)-3-(naphthyloxy)propan-2-ol,1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol,CC(C)NCC(O)COc1cccc2ccccc12,CC(C)NCC(O)COc1cccc2ccccc12,"InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",C16H21NO2,,,,,,AQHHHDLHHXJYJD-UHFFFAOYSA-N,Positive,AU110801;SM855601;EA017101|EA017102|EA017103|EA017104|EA017105|EA017106|EA017107|EA017108|EA017109|EA017110|EA017111|EA017112|EA017113|EA017114,[M+H]+;[M+H]+;[M+H]+,CID20.2-30.2;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,260.1659:74.0597:72.0803;260.1645:116.107:183.0805;183.0805:116.107:157.0647|260.1646:116.1068|260.1647:116.1069:183.0803|116.1069:183.0803:260.1645|155.0855:116.1069:74.0601|155.0855:74.06:129.0698|155.0603:129.0698:74.0601|260.1646:116.1068|260.1647:116.107:183.0804|116.1069:183.0803:260.1639|155.0854:74.06:116.1069|155.0854:74.06:129.0697|129.0698:155.0602:56.0494|183.0804:116.107:157.0648,Athens_Univ;CASMI_2016;Eawag,,,,,
100.032.593,235-868-1,13014-18-1,"2,4-dichloro-1-(trichloromethyl)benzene","2,4-dichloro-1-(trichloromethyl)benzene",Clc1ccc(c(Cl)c1)C(Cl)(Cl)Cl,Clc1ccc(c(Cl)c1)C(Cl)(Cl)Cl,"InChI=1/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H",C7H3Cl5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5716,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.593,KZSNBJMYJWDVTK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.917,239-525-7,15497-94-6,Lithium p-ethylbenzenesulphonate,lithium 4-ethylbenzenesulfonate,[Li+].CCc1ccc(cc1)S(=O)(=O)[O-],[Li+].CCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C8H10O3S.Li/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h3-6H,2H2,1H3,(H,9,10,11);/q;+1/p-1",C8H10O3S.Li,,,,,,SFYFPKNICQXSFE-UHFFFAOYSA-M,,,,,,,,,,,
100.035.918,239-526-2,15498-10-9,"9,10-epoxyoctadecanamide",8-(3-octyloxiran-2-yl)octanamide,CCCCCCCCC1OC1CCCCCCCC(=O)N,CCCCCCCCC1OC1CCCCCCCC(=O)N,"InChI=1/C18H35NO2/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H2,19,20)",C18H35NO2,,,,,,PIBPDMARGRAGIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.920,239-528-3,15498-42-7,Ethylene dimaleate,ethylene dimaleate,[O-]C(=O)\\C=C/C(=O)[O-].[O-]C(=O)\\C=C/C(=O)[O-].C=C,[O-]C(=O)\C=C/C(=O)[O-].[O-]C(=O)\C=C/C(=O)[O-].C=C,"InChI=1/2C4H4O4.C2H4/c2*5-3(6)1-2-4(7)8;1-2/h2*1-2H,(H,5,6)(H,7,8);1-2H2/p-4",C10H10O8,,,,,,KMHIKLILBBUFCA-PAMPIZDHSA-J,,,,,,,,,,,
100.035.937,239-547-7,15513-94-7,Vanadium triiodide,-,[I-].[I-].[I-].[V+2],[I-].[I-].[I-].[V+2],InChI=1/3HI.V/h3*1H;/q;;;+2/p-3,I3V,,,,,,MPJLYLMOHKYJCF-UHFFFAOYSA-K,,,,,,,,,,,
100.041.888,246-092-8,24222-13-7,Ethyl trans-3-methyl-3-isobutyloxirane-2-carboxylate,ethyl 3-isobutyl-3-methyloxirane-2-carboxylate,CCOC(=O)[C@H]1O[C@]1(C)CC(C)C,CCOC(=O)[C@H]1O[C@]1(C)CC(C)C,"InChI=1/C10H18O3/c1-5-12-9(11)8-10(4,13-8)6-7(2)3/h7-8H,5-6H2,1-4H3",C10H18O3,,,,,,PUIUZWMTQGBAIE-PSASIEDQSA-N,,,,,,,,,,,
100.041.890,246-094-9,24228-40-8,Ethyl 1-benzylpiperidine-4-carboxylate,ethyl 1-benzylpiperidine-4-carboxylate,CCOC(=O)C1CCN(Cc2ccccc2)CC1,CCOC(=O)C1CCN(Cc2ccccc2)CC1,"InChI=1/C15H21NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3",C15H21NO2,,,,,,ASQCOPJFYLJCGD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.894,246-099-6,24237-01-2,"2-butyl-3,6-dihydro-4,6-dimethyl-2H-pyran","2-butyl-4,6-dimethyl-3,6-dihydro-2H-pyran",CCCCC1CC(=CC(C)O1)C,CCCCC1CC(=CC(C)O1)C,"InChI=1/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h7,10-11H,4-6,8H2,1-3H3",C11H20O,,,,,,KBFFVAYZFNJXAW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.863,243-866-7,20543-04-8,"Octanoic acid, copper salt",copper(1+) octanoate,[Cu+].CCCCCCCC(=O)[O-],[Cu+].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Cu/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",C8H16O2.xCu,,,,,,XVAMKCAOENGCIW-UHFFFAOYSA-M,,,,,,,,,,,
100.039.866,243-869-3,20544-37-0,"3,9-dibenzyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide","3,9-dibenzyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide",O=P1(Cc2ccccc2)OCC3(COP(=O)(Cc4ccccc4)OC3)CO1,O=P1(Cc2ccccc2)OCC3(COP(=O)(Cc4ccccc4)OC3)CO1,"InChI=1/C19H22O6P2/c20-26(11-17-7-3-1-4-8-17)22-13-19(14-23-26)15-24-27(21,25-16-19)12-18-9-5-2-6-10-18/h1-10H,11-16H2",C19H22O6P2,,,,,,XRBKIMPIQSGVAO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.867,243-870-9,20545-92-0,N-(2-hydroxyethyl)undec-10-enamide,N-(2-hydroxyethyl)undec-10-enamide,OCCNC(=O)CCCCCCCCC=C,OCCNC(=O)CCCCCCCCC=C,"InChI=1/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-13(16)14-11-12-15/h2,15H,1,3-12H2,(H,14,16)",C13H25NO2,,,,,,ISTASGAHDLTQRU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.874,243-878-2,20561-09-5,"Diethyl cyclopropane-1,2-dicarboxylate","diethyl cyclopropane-1,2-dicarboxylate",CCOC(=O)C1CC1C(=O)OCC,CCOC(=O)C1CC1C(=O)OCC,"InChI=1/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3",C9H14O4,,,,,,SXLDHZFJMXLFJU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.503,245-669-1,23454-33-3,"Cyclohexylmethyl 17-ß-hydroxyestra-4,9,11-trien-3-one carbonate","cyclohexylmethyl 3-oxoestra-4,9,11-trien-17-yl carbonate",C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)OCC5CCCCC5,C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)OCC5CCCCC5,"InChI=1/C26H34O4/c1-26-14-13-21-20-10-8-19(27)15-18(20)7-9-22(21)23(26)11-12-24(26)30-25(28)29-16-17-5-3-2-4-6-17/h13-15,17,22-24H,2-12,16H2,1H3",C26H34O4,,,,,,GQJSFWYQKNQCIK-APFRJGHOSA-N,,,,,,,,,,,
100.041.506,245-672-8,23459-13-4,"4,4-dimethyl-3-oxovaleraldehyde","4,4-dimethyl-3-oxopentanal",CC(C)(C)C(=O)CC=O,CC(C)(C)C(=O)CC=O,"InChI=1/C7H12O2/c1-7(2,3)6(9)4-5-8/h5H,4H2,1-3H3",C7H12O2,,,,,,VLJKEQYDVMCGHW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.507,245-673-3,23459-78-1,"(±)-5-[2-(methylthio)ethyl]imidazolidine-2,4-dione","5-[2-(methylsulfanyl)ethyl]imidazolidine-2,4-dione",CSCCC1NC(=O)NC1=O,CSCCC1NC(=O)NC1=O,"InChI=1/C6H10N2O2S/c1-11-3-2-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)",C6H10N2O2S,,,,,,SBKRXUMXMKBCLD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.512,245-679-6,23474-91-1,tert-butyl 2-buteneperoxoate,tert-butyl but-2-eneperoxoate,CC=CC(=O)OOC(C)(C)C,CC=CC(=O)OOC(C)(C)C,"InChI=1/C8H14O3/c1-5-6-7(9)10-11-8(2,3)4/h5-6H,1-4H3",C8H14O3,,,,,,CXOHVCKJGLFRKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.514,245-681-7,23478-16-2,m-(isopropylamino)phenol,3-(isopropylamino)phenol,CC(C)Nc1cccc(O)c1,CC(C)Nc1cccc(O)c1,"InChI=1/C9H13NO/c1-7(2)10-8-4-3-5-9(11)6-8/h3-7,10-11H,1-2H3",C9H13NO,,,,,,VDJZDFBTZXYTNX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.515,245-682-2,23481-28-9,4-[(4-hydroxy-1-naphthyl)azo]naphthalenesulphonic acid,4-[(4-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)c4ccc(N=Nc1ccc(O)c2ccccc12)c3ccccc34,OS(=O)(=O)c4ccc(N=Nc1ccc(O)c2ccccc12)c3ccccc34,"InChI=1/C20H14N2O4S/c23-19-11-9-17(13-5-1-3-7-15(13)19)21-22-18-10-12-20(27(24,25)26)16-8-4-2-6-14(16)18/h1-12,23H,(H,24,25,26)",C20H14N2O4S,,,,,,GOLZWFYDAGUDPO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.516,245-683-8,23481-50-7,"3,7-bis(dimethylamino)-1,9-dimethylphenothiazin-5-ium chloride","3,7-bis(dimethylamino)-1,9-dimethylphenothiazin-5-ium chloride",[Cl-].CN(C)c1cc(C)c2nc3c(C)cc(cc3[s+]c2c1)N(C)C,[Cl-].CN(C)c1cc(C)c2nc3c(C)cc(cc3[s+]c2c1)N(C)C,"InChI=1/C18H22N3S.ClH/c1-11-7-13(20(3)4)9-15-17(11)19-18-12(2)8-14(21(5)6)10-16(18)22-15;/h7-10H,1-6H3;1H/q+1;/p-1",C18H22N3S.Cl,,,,,,JRMSLDWZFJZLAS-UHFFFAOYSA-M,,,,,,,,,,,
100.041.519,245-686-4,23482-39-5,Diethyl[2-[(4-phenylpiperidin-4-yl)oxy]]ethylamine,"N,N-diethyl-2-[(4-phenylpiperidin-4-yl)oxy]ethanamine",CCN(CC)CCOC1(CCNCC1)c2ccccc2,CCN(CC)CCOC1(CCNCC1)c2ccccc2,"InChI=1/C17H28N2O/c1-3-19(4-2)14-15-20-17(10-12-18-13-11-17)16-8-6-5-7-9-16/h5-9,18H,3-4,10-15H2,1-2H3",C17H28N2O,,,,,,AJWDNBGJSDKTMC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.524,245-692-7,23495-12-7,2-phenoxyethyl propionate,2-phenoxyethyl propionate,CCC(=O)OCCOc1ccccc1,CCC(=O)OCCOc1ccccc1,"InChI=1/C11H14O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C11H14O3,,,,,,FKTSMIXZGPUSJB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.156,237-586-4,13851-08-6,"3,5,7,10-tetramethylundec-9-ene-4,6-dione","3,5,7,10-tetramethylundec-9-ene-4,6-dione",CCC(C)C(=O)C(C)C(=O)C(C)CC=C(C)C,CCC(C)C(=O)C(C)C(=O)C(C)CC=C(C)C,"InChI=1/C15H26O2/c1-7-11(4)14(16)13(6)15(17)12(5)9-8-10(2)3/h8,11-13H,7,9H2,1-6H3",C15H26O2,,,,,,BZBFBQMTXDLSPW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.158,237-589-0,13852-51-2,6-chloro-4-nitro-o-toluidine,2-chloro-6-methyl-4-nitroaniline,Cc1cc(cc(Cl)c1N)[N+](=O)[O-],Cc1cc(cc(Cl)c1N)[N+](=O)[O-],"InChI=1/C7H7ClN2O2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,9H2,1H3",C7H7ClN2O2,,,,,,HVPVUAIKGOKEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.164,237-595-3,13859-60-4,Dipotassium tetrafluoronickelate(2-),dipotassium tetrafluoronickelate(2-),[K+].[K+].F[Ni-2](F)(F)F,[K+].[K+].F[Ni-2](F)(F)F,"InChI=1/4FH.2K.Ni/h4*1H;;;/q;;;;2*+1;+2/p-4/rF4Ni.2K/c1-5(2,3)4;;/q-2;2*+1",F4Ni.2K,,,,,,UIRGKRRTSXFSTG-UHFFFAOYSA-J,,,,,,,,,,,
100.034.172,237-605-6,13863-49-5,Dysprosium phosphate,dysprosium phosphate,[Dy+3].[O-]P(=O)([O-])[O-],[Dy+3].[O-]P(=O)([O-])[O-],"InChI=1/Dy.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",Dy.H3O4P,,,,,,UIUJMPLGCICBOO-UHFFFAOYSA-K,,,,,,,,,,,
100.034.173,237-606-1,13863-88-2,Silver azide,silver(1+) azide,[Ag+].[N-]=[N+]=[N-],[Ag+].[N-]=[N+]=[N-],InChI=1/Ag.N3/c;1-3-2/q+1;-1,AgN3,,,,,,QBFXQJXHEPIJKW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.181,237-615-0,13868-69-4,Trisodium hydrogen [(tetradecylimino)bis(methylene)]diphosphonate,trisodium hydrogen [(tetradecylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;;/q;3*+1/p-4",C16H37NO6P2.3Na,,,,,,DBKYVFFVXJMOFC-UHFFFAOYSA-J,,,,,,,,,,,
100.034.190,237-625-5,13870-29-6,Disodium disulphate,disodium disulphate,[Na+].[Na+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+1;;/p-4",H2O7S2.2Na,,,,,,ZQOMKIOQTCAGCM-UHFFFAOYSA-J,,,,,,,,,,,
100.034.194,237-629-7,13871-10-8,Sodium pentafluorozirconate(1-),sodium pentafluorozirconate(1-),[Na+].F[Zr-](F)(F)(F)F,[Na+].F[Zr-](F)(F)(F)F,"InChI=1/5FH.Na.Zr/h5*1H;;/q;;;;;+1;+4/p-5/rF5Zr.Na/c1-6(2,3,4)5;/q-1;+1",F5Zr.Na,,,,,,ITOBMYZPBFLSBP-UHFFFAOYSA-I,,,,,,,,,,,
100.034.197,237-632-3,13874-77-6,Ytterbium dichloride,ytterbium(2+) dichloride,[Cl-].[Cl-].[Yb+2],[Cl-].[Cl-].[Yb+2],InChI=1/2ClH.Yb.2H/h2*1H;;;/q;;+2;;/p-2/r2ClH.H2Yb/h2*1H;1H2/q;;+2/p-2,Cl2Yb,,,,,,LINIOGPXIKIICR-UHFFFAOYSA-L,,,,,,,,,,,
100.037.129,240-859-0,16836-95-6,Silver p-toluenesulphonate,silver(1+) 4-methylbenzenesulfonate,[Ag+].Cc1ccc(cc1)S(=O)(=O)[O-],[Ag+].Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.Ag/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",C7H8O3S.Ag,,,,,,JUDUFOKGIZUSFP-UHFFFAOYSA-M,,,,,,,,,,,
100.037.141,240-872-1,16849-69-7,"2,6-dimethoxyterephthalic acid","2,6-dimethoxyterephthalic acid",COc1cc(cc(OC)c1C(=O)O)C(=O)O,COc1cc(cc(OC)c1C(=O)O)C(=O)O,"InChI=1/C10H10O6/c1-15-6-3-5(9(11)12)4-7(16-2)8(6)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)",C10H10O6,,,,,,XZZNMOQLQQVIFN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.142,240-873-7,16849-88-0,[(dimethylamino)methylene]malononitrile,[(dimethylamino)methylene]malononitrile,CN(C)C=C(C#N)C#N,CN(C)C=C(C#N)C#N,"InChI=1/C6H7N3/c1-9(2)5-6(3-7)4-8/h5H,1-2H3",C6H7N3,,,,,,LBUDLOYYNHQKQI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.143,240-874-2,16849-98-2,Cyclohexyl mercaptoacetate,cyclohexyl sulfanylacetate,SCC(=O)OC1CCCCC1,SCC(=O)OC1CCCCC1,"InChI=1/C8H14O2S/c9-8(6-11)10-7-4-2-1-3-5-7/h7,11H,1-6H2",C8H14O2S,,,,,,DHQYDHVETSVMKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.151,240-883-1,16859-20-4,"2-ethyl-7-hydroxy-1,2-benzisoxazole tetrafluoroborate",-,CCN1Cc2cccc(O)c2O1.F[B-](F)(F)F,CCN1Cc2cccc(O)c2O1.F[B-](F)(F)F,"InChI=1/C9H11NO2.BF4/c1-2-10-6-7-4-3-5-8(11)9(7)12-10;2-1(3,4)5/h3-5,11H,2,6H2,1H3;/q;-1",C9H10NO2.BF4,,,,,,FHJRMVJDOIXNCS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.156,240-888-9,16868-11-4,"Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate",CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)C=C,CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)C=C,"InChI=1/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3",C13H20O2,,,,,,PSGCQDPCAWOCSH-OPQQBVKSSA-N,,,,,,,,,,,
100.037.157,240-889-4,16868-13-6,Cyclopentyl acrylate,cyclopentyl acrylate,C=CC(=O)OC1CCCC1,C=CC(=O)OC1CCCC1,"InChI=1/C8H12O2/c1-2-8(9)10-7-5-3-4-6-7/h2,7H,1,3-6H2",C8H12O2,,,,,,BTQLDZMOTPTCGG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.161,240-894-1,16871-71-9,Zinc hexafluorosilicate,zinc hexafluorosilicate,[Zn+2].F[Si-2](F)(F)(F)(F)F,[Zn+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.Zn/c1-7(2,3,4,5)6;/q-2;+2",F6Si.Zn,,,,,,IRPUQLOSQCXHEW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.163,240-896-2,16871-90-2,Dipotassium hexafluorosilicate,dipotassium hexafluorosilicate,[K+].[K+].F[Si-2](F)(F)(F)(F)F,[K+].[K+].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Si.2K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14447,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.163,UUHPPUWEDCVPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.984,241-799-8,17843-02-6,Dianilinium hydrogen phosphate,bisanilinium hydrogen phosphate,[NH3+]c1ccccc1.[NH3+]c2ccccc2.[O-]P(=O)([O-])[O-],[NH3+]c1ccccc1.[NH3+]c2ccccc2.[O-]P(=O)([O-])[O-],"InChI=1/2C6H7N.H3O4P/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,7H2;(H3,1,2,3,4)/p-1",C6H7N.1/2H3O4P,,,,,,WOJRIVUQVXCTJU-UHFFFAOYSA-M,,,,,,,,,,,
100.037.986,241-801-7,17849-38-6,2-chlorobenzyl alcohol,(2-chlorophenyl)methanol,OCc1ccccc1Cl,OCc1ccccc1Cl,"InChI=1/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2",C7H7ClO,,,,,,MBYQPPXEXWRMQC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.989,241-804-3,17852-28-7,2-amino-5-methylbenzophenone,(2-amino-5-methylphenyl)(phenyl)methanone,Cc1ccc(N)c(c1)C(=O)c2ccccc2,Cc1ccc(N)c(c1)C(=O)c2ccccc2,"InChI=1/C14H13NO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3",C14H13NO,,,,,,MZPDVYDLHYUTQS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.992,241-808-5,17852-99-2,Calcium 4-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,calcium 4-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ca+2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,[Ca+2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ca/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ca,,,,,,WGYYVXRIDZRFPW-UHFFFAOYSA-L,,,,,,,,,,,
100.032.251,235-489-1,12252-30-1,"Aluminium, compound with iron (2:1)",aluminum - iron (2:1),[AlH3].[AlH3].[Fe],[AlH3].[AlH3].[Fe],InChI=1/2Al.Fe.6H/q2*+3;+2;;;;;;/r2AlH3.Fe/h2*1H3;/q2*+3;+2,Al.Fe,,,,,,KDDCLUYTDWOOLC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.268,235-508-3,12255-50-4,Tribarium diarsenide,tribarium diarsenide,[Ba+2].[Ba+2].[Ba+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],[Ba+2].[Ba+2].[Ba+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],"InChI=1/6As2H3.3Ba/c6*1-2;;;/h6*1H,2H2;;;/q6*-1;3*+2",As2Ba3,,,,,,IFAQXEFUZNVUKS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.811,240-509-7,16461-71-5,2-azido-2-phenylacetyl chloride,azido(phenyl)acetyl chloride,ClC(=O)C(N=[N+]=[N-])c1ccccc1,ClC(=O)C(N=[N+]=[N-])c1ccccc1,"InChI=1/C8H6ClN3O/c9-8(13)7(11-12-10)6-4-2-1-3-5-6/h1-5,7H",C8H6ClN3O,,,,,,NRSMVAFUFMOXFI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.812,240-510-2,16463-74-4,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-acetate","11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C23H32O6/c1-13(25)29-23(19(28)12-24)9-7-17-16-5-4-14-10-15(26)6-8-21(14,2)20(16)18(27)11-22(17,23)3/h10,16-18,20,24,27H,4-9,11-12H2,1-3H3",C23H32O6,,,,,,HDEDWNHZBWFQCB-JZYPGELDSA-N,,,,,,,,,,,
100.036.824,240-523-3,16470-42-1,"2-[2-(phenylamino)vinyl]-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium","3-[2-(2-anilinovinyl)naphtho[1,2-d][1,3]thiazol-1-ium-1-yl]propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]1c(\\C=C\\Nc2ccccc2)sc3ccc4ccccc4c13,[O-]S(=O)(=O)CCC[n+]1c(\C=C\Nc2ccccc2)sc3ccc4ccccc4c13,"InChI=1/C22H20N2O3S2/c25-29(26,27)16-6-15-24-21(13-14-23-18-8-2-1-3-9-18)28-20-12-11-17-7-4-5-10-19(17)22(20)24/h1-5,7-14H,6,15-16H2,(H,25,26,27)",C22H20N2O3S2,,,,,,UMIOJVMUXCGWLB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.827,240-527-5,16472-09-6,"Methyl 3-[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-m-tolyl]propionate","methyl 3-{4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-3-methylphenyl}propanoate",COC(=O)CCc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)c(C)c1,COC(=O)CCc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)c(C)c1,"InChI=1/C25H21NO6/c1-13-11-14(8-10-20(28)31-2)7-9-18(13)32-19-12-17(27)21-22(23(19)26)25(30)16-6-4-3-5-15(16)24(21)29/h3-7,9,11-12,27H,8,10,26H2,1-2H3",C25H21NO6,,,,,,DFCPUQBIQUKULF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.828,240-528-0,16472-23-4,"1,8-bis[[4-(2-hydroxyethoxy)phenyl]amino]anthraquinone","1,8-bis{[4-(2-hydroxyethoxy)phenyl]amino}-9,10-anthraquinone",OCCOc1ccc(Nc2cccc3C(=O)c4cccc(Nc5ccc(OCCO)cc5)c4C(=O)c23)cc1,OCCOc1ccc(Nc2cccc3C(=O)c4cccc(Nc5ccc(OCCO)cc5)c4C(=O)c23)cc1,"InChI=1/C30H26N2O6/c33-15-17-37-21-11-7-19(8-12-21)31-25-5-1-3-23-27(25)30(36)28-24(29(23)35)4-2-6-26(28)32-20-9-13-22(14-10-20)38-18-16-34/h1-14,31-34H,15-18H2",C30H26N2O6,,,,,,YBMYFNLKIQTRKS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.829,240-529-6,16472-24-5,"1,4-bis[[4-(2-hydroxyethoxy)phenyl]amino]anthraquinone","1,4-bis{[4-(2-hydroxyethoxy)phenyl]amino}-9,10-anthraquinone",OCCOc1ccc(Nc2ccc(Nc3ccc(OCCO)cc3)c4C(=O)c5ccccc5C(=O)c24)cc1,OCCOc1ccc(Nc2ccc(Nc3ccc(OCCO)cc3)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C30H26N2O6/c33-15-17-37-21-9-5-19(6-10-21)31-25-13-14-26(32-20-7-11-22(12-8-20)38-18-16-34)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-14,31-34H,15-18H2",C30H26N2O6,,,,,,DHDAEMGLNSEYEH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.831,240-531-7,16473-76-0,N2-acetyl-DL-asparagine,N~2~-acetyl-L-asparagine,CC(=O)N[C@@H](CC(=O)N)C(=O)O,CC(=O)N[C@@H](CC(=O)N)C(=O)O,"InChI=1/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)",C6H10N2O4,,,,,,HXFOXFJUNFFYMO-BYPYZUCNSA-N,,,,,,,,,,,
100.036.832,240-532-2,16475-90-4,Methyl 5-acetylsalicylate,methyl 5-acetyl-2-hydroxybenzoate,COC(=O)c1cc(ccc1O)C(=O)C,COC(=O)c1cc(ccc1O)C(=O)C,"InChI=1/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3",C10H10O4,,,,,,XLSMGNNWSRNTIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.938,239-548-2,15516-76-4,Mercury bis(4-chlorobenzoate),mercury bis(4-chlorobenzoate),[Hg+2].[O-]C(=O)c1ccc(Cl)cc1.[O-]C(=O)c2ccc(Cl)cc2,[Hg+2].[O-]C(=O)c1ccc(Cl)cc1.[O-]C(=O)c2ccc(Cl)cc2,"InChI=1/2C7H5ClO2.Hg/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,(H,9,10);/q;;+2/p-2",C7H5ClO2.1/2Hg,,,,,,WQPHTPYIKIWESZ-UHFFFAOYSA-L,,,,,,,,,,,
100.035.940,239-550-3,15518-82-8,Metescufylline,"[(7-hydroxy-4-methyl-2-oxo-2H-chromen-6-yl)oxy]acetic acid - 7-[2-(diethylamino)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1)",CCN(CC)CCn1cnc2N(C)C(=O)N(C)C(=O)c12.CC3=CC(=O)Oc4cc(O)c(OCC(=O)O)cc34,CCN(CC)CCn1cnc2N(C)C(=O)N(C)C(=O)c12.CC3=CC(=O)Oc4cc(O)c(OCC(=O)O)cc34,"InChI=1/C13H21N5O2.C12H10O6/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h9H,5-8H2,1-4H3;2-4,13H,5H2,1H3,(H,14,15)",C13H21N5O2.C12H10O6,,,,,,UEIODQNTKDNZDV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.949,239-560-8,15521-65-0,Nickel bis(dimethyldithiocarbamate),nickel(2+) bis(dimethyldithiocarbamate),[Ni+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-],[Ni+2].CN(C)C(=S)[S-].CN(C)C(=S)[S-],"InChI=1/2C3H7NS2.Ni/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2",C6H12N2NiS4,,,,,,BLCKKNLGFULNRC-UHFFFAOYSA-L,,,,,,,,,,,
100.032.940,236-249-9,13257-44-8,"1,1-dimethoxynon-2-yne","1,1-dimethoxynon-2-yne",CCCCCCC#CC(OC)OC,CCCCCCC#CC(OC)OC,"InChI=1/C11H20O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-8H2,1-3H3",C11H20O2,,,,,,RPJGIPAAHSGBEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.944,236-254-6,13259-29-5,Sodium 2-methylpropanolate,sodium 2-methylpropan-1-olate,[Na+].CC(C)C[O-],[Na+].CC(C)C[O-],"InChI=1/C4H9O.Na/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1",C4H10O.Na,,,,,,JYCDILBEUUCCQD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.945,236-255-1,13259-75-1,"2-methyl-1,1-dipropoxypropane","2-methyl-1,1-dipropoxypropane",CCCOC(OCCC)C(C)C,CCCOC(OCCC)C(C)C,"InChI=1/C10H22O2/c1-5-7-11-10(9(3)4)12-8-6-2/h9-10H,5-8H2,1-4H3",C10H22O2,,,,,,WMVDSJNSXSIYPK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.946,236-256-7,13260-75-8,"5,5-dimethyl-2-vinyl-1,3-dioxane","5,5-dimethyl-2-vinyl-1,3-dioxane",CC1(C)COC(OC1)C=C,CC1(C)COC(OC1)C=C,"InChI=1/C8H14O2/c1-4-7-9-5-8(2,3)6-10-7/h4,7H,1,5-6H2,2-3H3",C8H14O2,,,,,,QTKAQSUDWKTUTM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.947,236-257-2,13262-48-1,Biphenyl-4-ylurea,1-biphenyl-4-ylurea,NC(=O)Nc1ccc(cc1)c2ccccc2,NC(=O)Nc1ccc(cc1)c2ccccc2,"InChI=1/C13H12N2O/c14-13(16)15-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H3,14,15,16)",C13H12N2O,,,,,,FAVOSJNIJZMFAB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.953,236-264-0,13269-66-4,Tetrakis(2-hydroxyethyl)ammonium chloride,"2-hydroxy-N,N,N-tris(2-hydroxyethyl)ethanaminium chloride",[Cl-].OCC[N+](CCO)(CCO)CCO,[Cl-].OCC[N+](CCO)(CCO)CCO,"InChI=1/C8H20NO4.ClH/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H/q+1;/p-1",C8H20NO4.Cl,,,,,,CDOAWSMDRRABET-UHFFFAOYSA-M,,,,,,,,,,,
100.032.954,236-265-6,13269-73-3,"p-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamide","4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide",CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)N,CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)N,"InChI=1/C10H11N3O3S/c1-7-6-10(14)13(12-7)8-2-4-9(5-3-8)17(11,15)16/h2-5H,6H2,1H3,(H2,11,15,16)",C10H11N3O3S,,,,,,GLOOJKUWIGSFGC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.958,236-269-8,13273-84-2,"2,5,5-trimethyl-2-pentyl-1,3-dioxane","2,5,5-trimethyl-2-pentyl-1,3-dioxane",CCCCCC1(C)OCC(C)(C)CO1,CCCCCC1(C)OCC(C)(C)CO1,"InChI=1/C12H24O2/c1-5-6-7-8-12(4)13-9-11(2,3)10-14-12/h5-10H2,1-4H3",C12H24O2,,,,,,KZEIODCBVDXZSW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.962,236-274-5,13275-19-9,"1,1,1,3-tetrachlorobutane","1,1,1,3-tetrachlorobutane",CC(Cl)CC(Cl)(Cl)Cl,CC(Cl)CC(Cl)(Cl)Cl,"InChI=1/C4H6Cl4/c1-3(5)2-4(6,7)8/h3H,2H2,1H3",C4H6Cl4,,,,,,VNCIRZZEHCGAQP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.964,236-276-6,13276-08-9,N-octadecylstearamide,N-octadecyloctadecanamide,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C36H73NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3,(H,37,38)",C36H73NO,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15710,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.964,DJWFNQUDPJTSAD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.972,236-285-5,13280-61-0,"1,4-bis(4-methyl-alpha-styryl)benzene","1,1'-(1,4-phenylenediethene-2,1-diyl)bis(2-methylbenzene)",Cc1ccccc1C=Cc2ccc(C=Cc3ccccc3C)cc2,Cc1ccccc1C=Cc2ccc(C=Cc3ccccc3C)cc2,"InChI=1/C24H22/c1-19-7-3-5-9-23(19)17-15-21-11-13-22(14-12-21)16-18-24-10-6-4-8-20(24)2/h3-18H,1-2H3",C24H22,,,,,,QKLPIYTUUFFRLV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.978,236-291-8,13282-70-7,N-[3-(dimethylamino)propyl]stearamide monoacetate,N-[3-(dimethylamino)propyl]octadecanamide acetate,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O,"InChI=1/C23H48N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2(3)4/h4-22H2,1-3H3,(H,24,26);1H3,(H,3,4)",C23H48N2O.C2H4O2,,,,,,PKRDZHPWYDJXPO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.979,236-292-3,13282-82-1,3-butoxy-2-hydroxypropyl acrylate,3-butoxy-2-hydroxypropyl acrylate,CCCCOCC(O)COC(=O)C=C,CCCCOCC(O)COC(=O)C=C,"InChI=1/C10H18O4/c1-3-5-6-13-7-9(11)8-14-10(12)4-2/h4,9,11H,2-3,5-8H2,1H3",C10H18O4,,,,,,AZNUOOZUBQUQJV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.251,249-792-1,29707-62-8,"4-nitrobenzyl [2S-(2a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide","4-nitrobenzyl 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide",CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OCc4ccc(cc4)N(=O)=O,CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OCc4ccc(cc4)N(=O)=O,"InChI=1/C23H23N3O8S/c1-23(2)19(22(29)34-12-14-8-10-15(11-9-14)26(30)31)25-20(28)18(21(25)35(23)32)24-17(27)13-33-16-6-4-3-5-7-16/h3-11,18-19,21H,12-13H2,1-2H3,(H,24,27)",C23H23N3O8S,,,,,,WNMFNGGUHIIQJE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.253,249-794-2,29710-31-4,Hexadecyl octanoate,hexadecyl octanoate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC,"InChI=1/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h3-23H2,1-2H3",C24H48O2,,,,,,DWMMZQMXUWUJME-UHFFFAOYSA-N,,,,,,,,,,,
100.045.256,249-797-9,29711-16-8,2-isopentylcyclopent-2-en-1-one,2-(3-methylbutyl)cyclopent-2-en-1-one,CC(C)CCC1=CCCC1=O,CC(C)CCC1=CCCC1=O,"InChI=1/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h4,8H,3,5-7H2,1-2H3",C10H16O,,,,,,BVUSMSOTLWGFKV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.259,249-801-9,29712-28-5,(aminomethylene)bisphosphonic acid,(aminomethylene)bis(phosphonic acid),NC(P(=O)(O)O)P(=O)(O)O,NC(P(=O)(O)O)P(=O)(O)O,"InChI=1/CH7NO6P2/c2-1(9(3,4)5)10(6,7)8/h1H,2H2,(H2,3,4,5)(H2,6,7,8)",CH7NO6P2,,,,,,FRCICXIVPRNPLM-UHFFFAOYSA-N,,,,,,,,,,,
100.045.265,249-808-7,29721-79-7,Hydroxybutyl methacrylate,1-hydroxybutyl methacrylate,CCCC(O)OC(=O)C(=C)C,CCCC(O)OC(=O)C(=C)C,"InChI=1/C8H14O3/c1-4-5-7(9)11-8(10)6(2)3/h7,9H,2,4-5H2,1,3H3",C8H14O3,,,,,,QNMHRRCVEGQTPS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.269,249-812-9,29726-21-4,"(toluene-3,4-dithiolato)zinc","[4-methylbenzene-1,2-dithiolato(2-)-kappa~2~S~1~,S~2~]zinc",Cc1ccc2S[Zn]Sc2c1,Cc1ccc2S[Zn]Sc2c1,"InChI=1/C7H8S2.Zn/c1-5-2-3-6(8)7(9)4-5;/h2-4,8-9H,1H3;/q;+2/p-2/rC7H6S2Zn/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3",C7H6S2Zn,,,,,,WSPDPEGUBOEWME-UHFFFAOYSA-L,,,,,,,,,,,
100.045.275,249-819-7,29733-86-6,"Butene-1,4-diol","but-1-ene-1,4-diol",OCCC=CO,OCCC=CO,"InChI=1/C4H8O2/c5-3-1-2-4-6/h1,3,5-6H,2,4H2",C4H8O2,,,,,,OZCRKDNRAAKDAN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.281,249-826-5,29756-98-7,Aluminium dodecylbenzenesulphonate,aluminum tris(2-dodecylbenzenesulfonate),[Al+3].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-].CCCCCCCCCCCCc3ccccc3S(=O)(=O)[O-],[Al+3].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-].CCCCCCCCCCCCc3ccccc3S(=O)(=O)[O-],"InChI=1/3C18H30O3S.Al/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;;+3/p-3",C18H30O3S.1/3Al,,,,,,FMVLJTLETHJGJE-UHFFFAOYSA-K,,,,,,,,,,,
100.045.283,249-828-6,29761-21-5,Isodecyl diphenyl phosphate,8-methylnonyl diphenyl phosphate,CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3",C22H31O4P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2104,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.283,RYUJRXVZSJCHDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.044.782,249-276-6,28872-01-7,"(Z)-N-(3-aminopropyl)-N'-9-octadecenylpropane-1,3-diamine","N-(3-aminopropyl)-N'-octadec-9-en-1-ylpropane-1,3-diamine",CCCCCCCCC=CCCCCCCCCNCCCNCCCN,CCCCCCCCC=CCCCCCCCCNCCCNCCCN,"InChI=1/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h9-10,26-27H,2-8,11-25H2,1H3",C24H51N3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18704,https://echa.europa.eu/substance-information/-/substanceinfo/100.044.782,ZXUXEWRICDHNKF-UHFFFAOYSA-N,,,,,,,,,,,
100.044.788,249-282-9,28880-24-2,Diisooctyl succinate,bis(6-methylheptyl) succinate,CC(C)CCCCCOC(=O)CCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCC(=O)OCCCCCC(C)C,"InChI=1/C20H38O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3",C20H38O4,,,,,,MQKXWEJVDDRQKK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.797,249-292-3,28894-60-2,"[6R-[6a,7ß(R*)]]-3-(acetoxymethyl)-7-[amino(4-hydroxyphenyl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",3-(acetoxymethyl)-7-{[amino(4-hydroxyphenyl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O,"InChI=1/C18H19N3O7S/c1-8(22)28-6-10-7-29-17-13(16(25)21(17)14(10)18(26)27)20-15(24)12(19)9-2-4-11(23)5-3-9/h2-5,12-13,17,23H,6-7,19H2,1H3,(H,20,24)(H,26,27)",C18H19N3O7S,,,,,,FALSWZNHFGSOHY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.802,249-298-6,28901-00-0,4-[[3-chloro-4-[(p-hydroxyphenyl)azo]phenyl]azo]-m-cresol,4-({3-chloro-4-[(4-hydroxyphenyl)diazenyl]phenyl}diazenyl)-3-methylphenol,Clc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3ccc(O)cc3C,Clc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3ccc(O)cc3C,"InChI=1/C19H15ClN4O2/c1-12-10-16(26)7-9-18(12)23-22-14-4-8-19(17(20)11-14)24-21-13-2-5-15(25)6-3-13/h2-11,25-26H,1H3",C19H15ClN4O2,,,,,,SDEJJISBNQTXST-UHFFFAOYSA-N,,,,,,,,,,,
100.037.167,240-900-2,16874-06-9,Bis(tert-butyl) L-glutamate,di-tert-butyl L-glutamate,CC(C)(C)OC(=O)CC[C@H](N)C(=O)OC(C)(C)C,CC(C)(C)OC(=O)CC[C@H](N)C(=O)OC(C)(C)C,"InChI=1/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3",C13H25NO4,,,,,,NTUGPDFKMVHCCJ-VIFPVBQESA-N,,,,,,,,,,,
100.037.170,240-903-9,16874-68-3,"[3-(2,5-dioxo-4-oxazolidinyl)propyl]guanidine","1-[3-(2,5-dioxo-1,3-oxazolidin-4-yl)propyl]guanidine",NC(=N)NCCCC1NC(=O)OC1=O,NC(=N)NCCCC1NC(=O)OC1=O,"InChI=1/C7H12N4O3/c8-6(9)10-3-1-2-4-5(12)14-7(13)11-4/h4H,1-3H2,(H,11,13)(H4,8,9,10)",C7H12N4O3,,,,,,JDPWDIITDFLPBX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.174,240-908-6,16875-31-3,"2,5-dioxooxazolidine-4-acetamide","2-(2,5-dioxo-1,3-oxazolidin-4-yl)acetamide",NC(=O)CC1NC(=O)OC1=O,NC(=O)CC1NC(=O)OC1=O,"InChI=1/C5H6N2O4/c6-3(8)1-2-4(9)11-5(10)7-2/h2H,1H2,(H2,6,8)(H,7,10)",C5H6N2O4,,,,,,CCYVHMOBPVGICA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.176,240-910-7,16879-90-6,"N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-tyrosine, compound with dicyclohexylamine (1:1)",N-[(benzyloxy)carbonyl]-O-tert-butyl-L-tyrosine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1.C3CCC(CC3)NC4CCCCC4,CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1.C3CCC(CC3)NC4CCCCC4,"InChI=1/C21H25NO5.C12H23N/c1-21(2,3)27-17-11-9-15(10-12-17)13-18(19(23)24)22-20(25)26-14-16-7-5-4-6-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2",C21H25NO5.C12H23N,,,,,,FDNJRKLIHBJXIR-FERBBOLQSA-N,,,,,,,,,,,
100.037.177,240-911-2,16881-39-3,"1-benzyl 2-(tert-butyl) (S)-pyrrolidine-1,2-dicarboxylate","1-benzyl 2-tert-butyl pyrrolidine-1,2-dicarboxylate",CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2,CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2,"InChI=1/C17H23NO4/c1-17(2,3)22-15(19)14-10-7-11-18(14)16(20)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3",C17H23NO4,,,,,,OULMZZGGALAOLR-AWEZNQCLSA-N,,,,,,,,,,,
100.034.545,238-016-7,14171-36-9,Magnesium dimethyl dicarbonate,-,[Mg+2].COC(=O)OC(=O)OC,[Mg+2].COC(=O)OC(=O)OC,InChI=1/C4H6O5.Mg/c1-7-3(5)9-4(6)8-2;/h1-2H3;/q;+2,C2H4O3.1/2Mg,,,,,,TUVYZCZBDGHPMX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.546,238-017-2,14171-89-2,6-phenylhexan-2-one,6-phenylhexan-2-one,CC(=O)CCCCc1ccccc1,CC(=O)CCCCc1ccccc1,"InChI=1/C12H16O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3",C12H16O,,,,,,RVHCOKLJDUVNOR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.549,238-020-9,14173-25-2,Methyl phenyl disulphide,(methyldisulfanyl)benzene,CSSc1ccccc1,CSSc1ccccc1,"InChI=1/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3",C7H8S2,,,,,,LMSQHVXHZCNJEP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.550,238-021-4,14173-30-9,3-hydroxy-2-(hydroxymethyl)pyridine hydrochloride,2-(hydroxymethyl)pyridin-3-ol hydrochloride,Cl.OCc1ncccc1O,Cl.OCc1ncccc1O,"InChI=1/C6H7NO2.ClH/c8-4-5-6(9)2-1-3-7-5;/h1-3,8-9H,4H2;1H",C6H7NO2.ClH,,,,,,SKVRYQUMKJQZFN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.555,238-027-7,14174-09-5,"6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenz[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin","6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine",C1COCCOc2ccccc2OCCOCCOCCOc3ccccc3OCCO1,C1COCCOc2ccccc2OCCOCCOCCOc3ccccc3OCCO1,"InChI=1/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2",C24H32O8,,,,,,UNTITLLXXOKDTB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.559,238-031-9,14176-49-9,Tiletamine,2-(ethylamino)-2-(2-thienyl)cyclohexanone,CCNC1(CCCCC1=O)c2cccs2,CCNC1(CCCCC1=O)c2cccs2,"InChI=1/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3",C12H17NOS,,,,,,QAXBVGVYDCAVLV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.567,238-040-8,14187-31-6,"1-ethyl-2-[5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl]quinolinium iodide","1-ethyl-2-[5-(1-ethylquinolin-2(1H)-ylidene)penta-1,3-dien-1-yl]quinolinium iodide",[I-].CC[n+]3c4ccccc4ccc3C=CC=CC=C2\\C=C/c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=CC=CC=C2\C=C/c1ccccc1N2CC,"InChI=1/C27H27N2.HI/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1",C27H27N2.I,,,,,,ZFYDGPJXMYCXNV-UHFFFAOYSA-M,,,,,,,,,,,
100.038.288,242-133-9,18262-03-8,2-(dimethylamino)-1-methylethyl methacrylate,2-(dimethylamino)-1-methylethyl methacrylate,CC(CN(C)C)OC(=O)C(=C)C,CC(CN(C)C)OC(=O)C(=C)C,"InChI=1/C9H17NO2/c1-7(2)9(11)12-8(3)6-10(4)5/h8H,1,6H2,2-5H3",C9H17NO2,,,,,,UOISBTHHJANVEM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.290,242-136-5,18262-08-3,"1,4-bis(2-ethylhexyl) 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:1)","1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.OCCN(CCO)CCO,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.OCCN(CCO)CCO,"InChI=1/C20H38O7S.C6H15NO3/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;8-4-1-7(2-5-9)3-6-10/h16-18H,5-15H2,1-4H3,(H,23,24,25);8-10H,1-6H2",C20H38O7S.C6H15NO3,,,,,,NJUCVJBYISMNIH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.836,240-536-4,16482-55-6,Dihydroxyaluminium sodium carbonate,dihydroxyaluminum(1+) sodium carbonate,[Na+].O[Al+]O.[O-]C(=O)[O-],[Na+].O[Al+]O.[O-]C(=O)[O-],"InChI=1/CH2O3.Al.Na.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;+3;+1;;/p-4/rCH2O3.AlH2O2.Na/c2-1(3)4;2-1-3;/h(H2,2,3,4);2-3H;/q;2*+1/p-2",CH2AlO5.Na,,,,,,SEIGJEJVIMIXIU-UHFFFAOYSA-J,,,,,,,,,,,
100.036.838,240-539-0,16484-77-8,(R)-2-(4-chloro-2-methylphenoxy)propionic acid,2-(4-chloro-2-methylphenoxy)propanoic acid,C[C@@H](Oc1ccc(Cl)cc1C)C(=O)O,C[C@@H](Oc1ccc(Cl)cc1C)C(=O)O,"InChI=1/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",C10H11ClO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16233,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.838,WNTGYJSOUMFZEP-SSDOTTSWSA-N,,,,,,,,,,,
100.036.839,240-540-6,16485-10-2,"Panthenol , DL-form","2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide",CC(C)(CO)C(O)C(=O)NCCCO,CC(C)(CO)C(O)C(=O)NCCCO,"InChI=1/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)",C9H19NO4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12624,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.839,SNPLKNRPJHDVJA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.719,237-106-3,13623-06-8,Dodecyltrimethylammonium methyl sulphate,"N,N,N-trimethyldodecan-1-aminium methyl sulfate",CCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C15H34N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-5-6(2,3)4/h5-15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C15H34N.CH3O4S,,,,,,ODGXMRVMAFAHQH-UHFFFAOYSA-M,,,,,,,,,,,
100.033.727,237-115-2,13628-54-1,Digadolinium(3+) trisulphate,digadolinium(3+) trisulphate,[Gd+3].[Gd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Gd+3].[Gd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Gd.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Gd.3/2H2O4S,,,,,,QLAFITOLRQQGTE-UHFFFAOYSA-H,,,,,,,,,,,
100.033.730,237-118-9,13632-07-0,5-acetamido-2-methylbenzenesulphonyl chloride,5-acetamido-2-methylbenzenesulfonyl chloride,CC(=O)Nc1ccc(C)c(c1)S(=O)(=O)Cl,CC(=O)Nc1ccc(C)c(c1)S(=O)(=O)Cl,"InChI=1/C9H10ClNO3S/c1-6-3-4-8(11-7(2)12)5-9(6)15(10,13)14/h3-5H,1-2H3,(H,11,12)",C9H10ClNO3S,,,,,,BCGUUSFEJVCVLK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.732,237-121-5,13636-18-5,"(3,3-diphenylpropyl)(1-phenylethyl)ammonium chloride","3,3-diphenyl-N-(1-phenylethyl)propan-1-aminium chloride",[Cl-].CC([NH2+]CCC(c1ccccc1)c2ccccc2)c3ccccc3,[Cl-].CC([NH2+]CCC(c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C23H25N.ClH/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,19,23-24H,17-18H2,1H3;1H",C23H25N.ClH,,,,,,NJXWZWXCHBNOOG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.736,237-125-7,13637-76-8,Lead diperchlorate,-,[Pb+2].O=Cl(=O)(=O)[O-].[O-]Cl(=O)(=O)=O,[Pb+2].O=Cl(=O)(=O)[O-].[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Pb.2H/c2*2-1(3,4)5;;;/h2*(H,2,3,4,5);;;/q;;+4;;/p-2/r2ClHO4.H2Pb/c2*2-1(3,4)5;/h2*(H,2,3,4,5);1H2/q;;+4/p-2",ClHO4.1/2Pb,,,,,,XOYUVEPYBYHIFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.033.740,237-129-9,13640-28-3,"[3R-[3a(R*),4a]]-3-(a-hydroxybenzyl)-4-[(1-methylimidazol-5-yl)methyl]dihydrofuran-2(3H)-one",3-[hydroxy(phenyl)methyl]-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one,Cn1cncc1CC2COC(=O)C2C(O)c3ccccc3,Cn1cncc1CC2COC(=O)C2C(O)c3ccccc3,"InChI=1/C16H18N2O3/c1-18-10-17-8-13(18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3",C16H18N2O3,,,,,,DZOVBAVEJYPSLL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.743,237-133-0,13647-35-3,Trilostane,"3,17-dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile",C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=C(C[C@]35C)C#N)O)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=C(C[C@]35C)C#N)O)[C@@H]1CC[C@@H]2O,"InChI=1/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3",C20H27NO3,,,,,,KVJXBPDAXMEYOA-CXANFOAXSA-N,,,,,,,,,,,
100.035.263,238-806-1,14741-67-4,Lanthanum(3+) stearate,lanthanum trioctadecanoate,[La+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[La+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H36O2.1/3La,,,,,,RWXOJQGSZWUIEJ-UHFFFAOYSA-K,,,,,,,,,,,
100.035.265,238-808-2,14745-75-6,"Stearic acid, compound with N,N-dimethyloctadecylamine (1:1)","octadecanoic acid - N,N-dimethyloctadecan-1-amine (1:1)",CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C20H43N.C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-20H2,1-3H3;2-17H2,1H3,(H,19,20)",C20H43N.C18H36O2,,,,,,ZXALKJAAQSZAQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.266,238-809-8,14748-94-8,"1,4-dihydroxy-3-methyl-2-naphthyl 4-aminobenzoate","1,4-dihydroxy-3-methyl-2-naphthyl 4-aminobenzoate",Cc1c(O)c2ccccc2c(O)c1OC(=O)c3ccc(N)cc3,Cc1c(O)c2ccccc2c(O)c1OC(=O)c3ccc(N)cc3,"InChI=1/C18H15NO4/c1-10-15(20)13-4-2-3-5-14(13)16(21)17(10)23-18(22)11-6-8-12(19)9-7-11/h2-9,20-21H,19H2,1H3",C18H15NO4,,,,,,YLMPBJUYFTWHKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.268,238-811-9,14752-66-0,Sodium p-chlorobenzenesulphinate,sodium 4-chlorobenzenesulfinate,[Na+].[O-]S(=O)c1ccc(Cl)cc1,[Na+].[O-]S(=O)c1ccc(Cl)cc1,"InChI=1/C6H5ClO2S.Na/c7-5-1-3-6(4-2-5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1",C6H5ClO2S.Na,,,,,,JFXAUUFCZJYLJF-UHFFFAOYSA-M,,,,,,,,,,,
100.035.577,239-150-9,15098-69-8,"N2,N6-bis(tert-butoxycarbonyl)-L-lysine, compound with dicyclohexylamine (1:1)","N~2~,N~6~-bis(tert-butoxycarbonyl)-L-lysine - N-cyclohexylcyclohexanamine (1:1)",CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C16H30N2O6.C12H23N/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2",C16H30N2O6.C12H23N,,,,,,HRLHJTYAMCGERD-MERQFXBCSA-N,,,,,,,,,,,
100.035.579,239-153-5,15102-42-8,"2,3-dibromopropionamide","2,3-dibromopropanamide",NC(=O)C(Br)CBr,NC(=O)C(Br)CBr,"InChI=1/C3H5Br2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7)",C3H5Br2NO,,,,,,DZQCMQRQFZXQKN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.586,239-160-3,15110-84-6,"2,2'-[(3,3'-dichloro-4,4'-biphenylylene)bis(azo)]bis[2',5'-dimethoxyacetoacetanilide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2,5-dimethoxyphenyl)-3-oxobutanamide]",COc1ccc(OC)c(NC(=O)C(N=Nc2ccc(cc2Cl)c3ccc(N=NC(C(=O)C)C(=O)Nc4cc(OC)ccc4OC)c(Cl)c3)C(=O)C)c1,COc1ccc(OC)c(NC(=O)C(N=Nc2ccc(cc2Cl)c3ccc(N=NC(C(=O)C)C(=O)Nc4cc(OC)ccc4OC)c(Cl)c3)C(=O)C)c1,"InChI=1/C36H34Cl2N6O8/c1-19(45)33(35(47)39-29-17-23(49-3)9-13-31(29)51-5)43-41-27-11-7-21(15-25(27)37)22-8-12-28(26(38)16-22)42-44-34(20(2)46)36(48)40-30-18-24(50-4)10-14-32(30)52-6/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)",C36H34Cl2N6O8,,,,,,JCCCQHUBURSMDX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.604,239-180-2,15122-63-1,Aluminium bromide dihydroxide,aluminum bromide dihydroxide,[OH-].[OH-].[Al+3].[Br-],[OH-].[OH-].[Al+3].[Br-],InChI=1/Al.BrH.2H2O/h;1H;2*1H2/q+3;;;/p-3,AlBrH2O2,,,,,,ILUFHHVMENUZLB-UHFFFAOYSA-K,,,,,,,,,,,
100.035.609,239-186-5,15123-90-7,Strontium thiosulphate,strontium thiosulfate,[Sr+2].[O-]S(=O)(=O)[S-],[Sr+2].[O-]S(=O)(=O)[S-],"InChI=1/H2O3S2.Sr/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",H2O3S2.Sr,,,,,,KGQWMJMXLOXFSX-UHFFFAOYSA-L,,,,,,,,,,,
100.032.603,235-879-1,13020-57-0,3-hydroxybenzophenone,(3-hydroxyphenyl)(phenyl)methanone,Oc1cccc(c1)C(=O)c2ccccc2,Oc1cccc(c1)C(=O)c2ccccc2,"InChI=1/C13H10O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,14H",C13H10O2,,,,,,SHULEACXTONYPS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.610,235-887-5,13026-12-5,3-(1-naphthyl)acrylic acid,3-(1-naphthyl)acrylic acid,OC(=O)\\C=C\\c1cccc2ccccc12,OC(=O)\C=C\c1cccc2ccccc12,"InChI=1/C13H10O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,14,15)",C13H10O2,,,,,,WPXMLUUYWNHQOR-CMDGGOBGSA-N,,,,,,,,,,,
100.032.616,235-893-8,13031-41-9,4-cyanophenyl acetate,4-cyanophenyl acetate,CC(=O)Oc1ccc(cc1)C#N,CC(=O)Oc1ccc(cc1)C#N,"InChI=1/C9H7NO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3",C9H7NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1934,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.616,CJGXWABHYYJNJH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.618,235-895-9,13031-62-4,4-aminobutyramide monohydrochloride,4-aminobutanamide hydrochloride,Cl.NCCCC(=O)N,Cl.NCCCC(=O)N,"InChI=1/C4H10N2O.ClH/c5-3-1-2-4(6)7;/h1-3,5H2,(H2,6,7);1H",C4H10N2O.ClH,,,,,,MVEPJLNIXKEKMI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.137,237-566-5,13843-59-9,Ammonium bromate,ammonium bromate,[NH4+].[O-]Br(=O)=O,[NH4+].[O-]Br(=O)=O,"InChI=1/BrHO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3",BrHO3.H3N,,,,,,BEOODBYKENEKIC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.143,237-572-8,13845-18-6,Sodium sulphamidate,sodium sulfamate,[Na+].NS(=O)(=O)[O-],[Na+].NS(=O)(=O)[O-],"InChI=1/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+1/p-1",H3NO3S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13448,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.143,QDWYPRSFEZRKDK-UHFFFAOYSA-M,,,,,,,,,,,
100.035.962,239-574-4,15532-75-9,"N-(a,a,a-trifluoro-3-tolyl)piperazine",1-[3-(trifluoromethyl)phenyl]piperazine,FC(F)(F)c1cccc(c1)N2CCNCC2,FC(F)(F)c1cccc(c1)N2CCNCC2,"InChI=1/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2",C11H13F3N2,,,,,,KKIMDKMETPPURN-UHFFFAOYSA-N,Positive,EA281901|EA281902|EA281903|EA281904|EA281905|EA281906|EA281907|EA281908|EA281909|EA281910|EA281911|EA281912|EA281913|EA281914,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,188.0684:211.1043:200.0684|231.1106:188.0693|231.1106:188.0681:229.094|231.1104:188.0682:229.0946|188.0683:231.1103:229.0949|188.0682:119.073:168.0619|188.0683:119.073:118.0652|231.1106:188.0693|231.1106:188.0682:229.0944|231.1107:188.0683:229.0949|188.0684:231.1108:229.0949|188.0684:119.073:168.062|188.0683:119.073:118.0652|188.0683:211.1042:200.0682,Eawag,,,,,
100.035.963,239-576-5,15532-98-6,"1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one","1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone",COc1ccccc1N2CCN(CC(=O)c3ccc(O)c(O)c3)CC2,COc1ccccc1N2CCN(CC(=O)c3ccc(O)c(O)c3)CC2,"InChI=1/C19H22N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,22-23H,8-11,13H2,1H3",C19H22N2O4,,,,,,MPHPDMUOEKCXGX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.964,239-577-0,15533-77-4,2-(diethylamino)ethyl 2-phenylbutyrate hydrochloride,2-(diethylamino)ethyl 2-phenylbutanoate hydrochloride,Cl.CCC(C(=O)OCCN(CC)CC)c1ccccc1,Cl.CCC(C(=O)OCCN(CC)CC)c1ccccc1,"InChI=1/C16H25NO2.ClH/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;/h7-11,15H,4-6,12-13H2,1-3H3;1H",C16H25NO2.ClH,,,,,,SRIJBBUJJSYXHB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.966,239-579-1,15534-95-9,"1,3-bis(hydroxymethyl)imidazolidine-2-thione","1,3-bis(hydroxymethyl)imidazolidine-2-thione",OCN1CCN(CO)C1=S,OCN1CCN(CO)C1=S,"InChI=1/C5H10N2O2S/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2",C5H10N2O2S,,,,,,QXYJLKUVMPXXKA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.970,239-583-3,15536-15-9,"Heptane-1,7-diamine dihydrochloride","heptane-1,7-diamine dihydrochloride",Cl.Cl.NCCCCCCCN,Cl.Cl.NCCCCCCCN,InChI=1/C7H18N2.2ClH/c8-6-4-2-1-3-5-7-9;;/h1-9H2;2*1H,C7H18N2.2ClH,,,,,,AONICXOBQWKSJL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.905,246-112-5,24261-19-6,Butyl hydrogen tetrachlorophthalate,"2-(butoxycarbonyl)-3,4,5,6-tetrachlorobenzoic acid",CCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,CCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,"InChI=1/C12H10Cl4O4/c1-2-3-4-20-12(19)6-5(11(17)18)7(13)9(15)10(16)8(6)14/h2-4H2,1H3,(H,17,18)",C12H10Cl4O4,,,,,,WKYMTJULVAGWJM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.910,246-117-2,24278-58-8,"[1S-(1a,4ß,6a)]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",CC1CC2C(CC1=O)C2(C)C,CC1CC2C(CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,ABSCYWMYRVUUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.912,246-119-3,24280-93-1,Mycophenolic acid,"6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid",OC(=O)CCC(C)=CCc2c(O)c1C(=O)OCc1c(C)c2OC,OC(=O)CCC(C)=CCc2c(O)c1C(=O)OCc1c(C)c2OC,"InChI=1/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)",C17H20O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/15977,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.912,HPNSFSBZBAHARI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.922,246-130-3,24293-41-2,"(1-methylethylidene)di-4,1-cyclohexanediyl bis(mercaptoacetate)","propane-2,2-diyldicyclohexane-4,1-diyl bis(sulfanylacetate)",CC(C)(C1CCC(CC1)OC(=O)CS)C2CCC(CC2)OC(=O)CS,CC(C)(C1CCC(CC1)OC(=O)CS)C2CCC(CC2)OC(=O)CS,"InChI=1/C19H32O4S2/c1-19(2,13-3-7-15(8-4-13)22-17(20)11-24)14-5-9-16(10-6-14)23-18(21)12-25/h13-16,24-25H,3-12H2,1-2H3",C19H32O4S2,,,,,,ZTFAPZCGOKGJRX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.925,246-134-5,24295-03-2,1-(thiazol-2-yl)ethan-1-one,"1-(1,3-thiazol-2-yl)ethanone",CC(=O)c1nccs1,CC(=O)c1nccs1,"InChI=1/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3",C5H5NOS,,,,,,MOMFXATYAINJML-UHFFFAOYSA-N,,,,,,,,,,,
100.041.933,246-142-9,24304-84-5,2-[(2-aminoethyl)thio]ethanol,2-[(2-aminoethyl)sulfanyl]ethanol,NCCSCCO,NCCSCCO,"InChI=1/C4H11NOS/c5-1-3-7-4-2-6/h6H,1-5H2",C4H11NOS,,,,,,ZRZOERYTFAWUQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.935,246-145-5,24305-56-4,4-dodecylresorcinol,"4-dodecylbenzene-1,3-diol",CCCCCCCCCCCCc1ccc(O)cc1O,CCCCCCCCCCCCc1ccc(O)cc1O,"InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3",C18H30O2,,,,,,JJWVPHWHEGQZOE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.942,246-152-3,24310-41-6,"3-(chloromethyl)-1,2,3-benzotriazin-4(3H)-one","3-(chloromethyl)-1,2,3-benzotriazin-4(3H)-one",ClCN1N=Nc2ccccc2C1=O,ClCN1N=Nc2ccccc2C1=O,"InChI=1/C8H6ClN3O/c9-5-12-8(13)6-3-1-2-4-7(6)10-11-12/h1-4H,5H2",C8H6ClN3O,,,,,,DIBUQPIFKGWZDT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.944,246-154-4,24313-88-0,"3,4,5-trimethoxyaniline","3,4,5-trimethoxyaniline",COc1cc(N)cc(OC)c1OC,COc1cc(N)cc(OC)c1OC,"InChI=1/C9H13NO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,10H2,1-3H3",C9H13NO3,,,,,,XEFRNCLPPFDWAC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.537,245-707-7,23515-59-5,"3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride","5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride",Cl.COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C,Cl.COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C,"InChI=1/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H",C22H26N2O4S.ClH,,,,,,HDRXZJPWHTXQRI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.541,245-711-9,23519-77-9,Zirconium tetrapropanolate,zirconium tetrapropanolate,[Zr+2].[Zr+2].CCC[O-].CCC[O-].CCC[O-].CCC[O-],[Zr+2].[Zr+2].CCC[O-].CCC[O-].CCC[O-].CCC[O-],"InChI=1/4C3H7O.2Zr/c4*1-2-3-4;;/h4*2-3H2,1H3;;/q4*-1;2*+2",C3H8O.1/4Zr,,,,,,HMRFPILINDGTGF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.543,245-714-5,23524-64-3,"Sodium 1,4-didecyl sulphonatosuccinate","sodium 1,4-bis(decyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C24H46O7S.Na/c1-3-5-7-9-11-13-15-17-19-30-23(25)21-22(32(27,28)29)24(26)31-20-18-16-14-12-10-8-6-4-2;/h22H,3-21H2,1-2H3,(H,27,28,29);/q;+1/p-1",C24H46O7S.Na,,,,,,VGLKJXXKLNRSOD-UHFFFAOYSA-M,,,,,,,,,,,
100.041.546,245-717-1,23531-54-6,"Sodium 2-hydroxy-3-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]propane-1-sulphonate","sodium 2-hydroxy-3-(3-{1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl}propoxy)propane-1-sulfonate",[Na+].C[Si](C)(C)O[Si](C)(CCCOCC(O)CS(=O)(=O)[O-])O[Si](C)(C)C,[Na+].C[Si](C)(C)O[Si](C)(CCCOCC(O)CS(=O)(=O)[O-])O[Si](C)(C)C,"InChI=1/C13H34O7SSi3.Na/c1-22(2,3)19-24(7,20-23(4,5)6)10-8-9-18-11-13(14)12-21(15,16)17;/h13-14H,8-12H2,1-7H3,(H,15,16,17);/q;+1/p-1",C13H34O7SSi3.Na,,,,,,MRGYRDHLFUIMCN-UHFFFAOYSA-M,,,,,,,,,,,
100.041.553,245-725-5,23545-77-9,N-[3-m-tolylamino]-2-propenylidene]-m-toluidine,"N,N'-prop-1-en-1-yl-3-ylidenebis(3-methylaniline)",Cc1cccc(NC=CC=Nc2cccc(C)c2)c1,Cc1cccc(NC=CC=Nc2cccc(C)c2)c1,"InChI=1/C17H18N2/c1-14-6-3-8-16(12-14)18-10-5-11-19-17-9-4-7-15(2)13-17/h3-13,18H,1-2H3",C17H18N2,,,,,,YLFXCOHVYROVSG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.302,242-149-6,18268-70-7,"3,6,9-trioxaundecamethylene bis(2-ethylhexanoate)","14-ethyl-13-oxo-3,6,9,12-tetraoxaoctadec-1-yl 2-ethylhexanoate (non-preferred name)",CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC,"InChI=1/C24H46O7/c1-5-9-11-21(7-3)23(25)30-19-17-28-15-13-27-14-16-29-18-20-31-24(26)22(8-4)12-10-6-2/h21-22H,5-20H2,1-4H3",C24H46O7,,,,,,GYHPTPQZVBYHLC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.306,242-153-8,18276-53-4,1-(trimethylsilyl)-1H-pyrrole,1-(trimethylsilyl)-1H-pyrrole,C[Si](C)(C)n1cccc1,C[Si](C)(C)n1cccc1,"InChI=1/C7H13NSi/c1-9(2,3)8-6-4-5-7-8/h4-7H,1-3H3",C7H13NSi,,,,,,WNHFEQWRHXLCMK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.309,242-156-4,18279-67-9,2-chloroethyltriethoxysilane,(2-chloroethyl)(triethoxy)silane,CCO[Si](CCCl)(OCC)OCC,CCO[Si](CCCl)(OCC)OCC,"InChI=1/C8H19ClO3Si/c1-4-10-13(8-7-9,11-5-2)12-6-3/h4-8H2,1-3H3",C8H19ClO3Si,,,,,,IKBFHCBHLOZDKH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.310,242-158-5,18280-58-5,6-amino-2-benzylpyrimidin-4-ol,6-amino-2-benzylpyrimidin-4-ol,Nc1cc(O)nc(Cc2ccccc2)n1,Nc1cc(O)nc(Cc2ccccc2)n1,"InChI=1/C11H11N3O/c12-9-7-11(15)14-10(13-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,13,14,15)",C11H11N3O,,,,,,ZEMLOQIZGNSWCX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.314,242-162-7,18289-85-5,(Z)-N-methyl-N-(1-oxo-9-octadecyl)-ß-alanine,N-methyl-N-oleoyl-beta-alanine,CCCCCCCCC=CCCCCCCCC(=O)N(C)CCC(=O)O,CCCCCCCCC=CCCCCCCCC(=O)N(C)CCC(=O)O,"InChI=1/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23(2)20-19-22(25)26/h10-11H,3-9,12-20H2,1-2H3,(H,25,26)",C22H41NO3,,,,,,ZRNBEAAEJJLWTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.321,242-170-0,18293-54-4,"1-trimethylsilyl-1,2,4-triazole","1-(trimethylsilyl)-1H-1,2,4-triazole",C[Si](C)(C)n1cncn1,C[Si](C)(C)n1cncn1,"InChI=1/C5H11N3Si/c1-9(2,3)8-5-6-4-7-8/h4-5H,1-3H3",C5H11N3Si,,,,,,WPSPBNRWECRRPK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.322,242-171-6,18293-82-8,Isobutyldimethoxymethylsilane,"(1,1-dimethoxy-3-methylbutyl)silane",COC([SiH3])(CC(C)C)OC,COC([SiH3])(CC(C)C)OC,"InChI=1/C7H18O2Si/c1-6(2)5-7(10,8-3)9-4/h6H,5H2,1-4,10H3",C7H18O2Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17114,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.322,KHVIVCSHZLFDDT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.324,242-173-7,18295-59-5,2-propylvaleraldehyde,2-propylpentanal,CCCC(CCC)C=O,CCCC(CCC)C=O,"InChI=1/C8H16O/c1-3-5-8(7-9)6-4-2/h7-8H,3-6H2,1-2H3",C8H16O,,,,,,BAUHZKXBGXCLBO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.328,242-177-9,18297-63-7,"1,3-bis(trimethylsilyl)urea","1,3-bis(trimethylsilyl)urea",C[Si](C)(C)NC(=O)N[Si](C)(C)C,C[Si](C)(C)NC(=O)N[Si](C)(C)C,"InChI=1/C7H20N2OSi2/c1-11(2,3)8-7(10)9-12(4,5)6/h1-6H3,(H2,8,9,10)",C7H20N2OSi2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7883,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.328,MASDFXZJIDNRTR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.336,242-186-8,18301-58-1,Bicyclo[2.2.1]hept-2-yldichloromethylsilane,[bicyclo[2.2.1]hept-2-yl(dichloro)methyl]silane,[SiH3]C(Cl)(Cl)C1CC2CCC1C2,[SiH3]C(Cl)(Cl)C1CC2CCC1C2,"InChI=1/C8H14Cl2Si/c9-8(10,11)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,11H3",C8H14Cl2Si,,,,,,WNFRNVJSWYVJTM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.219,237-656-4,13889-92-4,S-propyl chlorothioformate,S-propyl chlorothiocarbonate,CCCSC(=O)Cl,CCCSC(=O)Cl,"InChI=1/C4H7ClOS/c1-2-3-7-4(5)6/h2-3H2,1H3",C4H7ClOS,,,,,,FYOPSYJKEHWOBR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.222,237-660-6,13893-34-0,Sodium octadecane-1-sulphonate,sodium octadecane-1-sulfonate,[Na+].O=S([O-])(=O)CCCCCCCCCCCCCCCCCC,[Na+].O=S([O-])(=O)CCCCCCCCCCCCCCCCCC,"InChI=1/C18H38O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1",C18H38O3S.Na,,,,,,KBAFDSIZQYCDPK-UHFFFAOYSA-M,,,,,,,,,,,
100.034.224,237-662-7,13894-61-6,Methyl (E)-hex-3-enoate,methyl hex-3-enoate,CC\\C=C\\CC(=O)OC,CC\C=C\CC(=O)OC,"InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3",C7H12O2,,,,,,XEAIHUDTEINXFG-SNAWJCMRSA-N,,,,,,,,,,,
100.034.232,237-671-6,13900-12-4,Diethyl[2-(2-phenylbutyroyloxy)ethyl]ammonium dihydrogen citrate,"N,N-diethyl-2-[(2-phenylbutanoyl)oxy]ethanaminium dihydrogen citrate",CCC(C(=O)OCC[NH+](CC)CC)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CCC(C(=O)OCC[NH+](CC)CC)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C16H25NO2.xC6H8O7,,,,,,VVNURWKSPYZZCI-UHFFFAOYSA-L,,,,,,,,,,,
100.034.239,237-678-4,13909-73-4,"2',3',4'-trimethoxyacetophenone","1-(2,3,4-trimethoxyphenyl)ethanone",COc1ccc(C(=O)C)c(OC)c1OC,COc1ccc(C(=O)C)c(OC)c1OC,"InChI=1/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3",C11H14O4,,,,,,PKNAATJMQOUREZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.241,237-681-0,13911-02-9,"a,2,3,4-tetrachlorotoluene","1,2,3-trichloro-4-(chloromethyl)benzene",ClCc1ccc(Cl)c(Cl)c1Cl,ClCc1ccc(Cl)c(Cl)c1Cl,"InChI=1/C7H4Cl4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3H2",C7H4Cl4,,,,,,ZZGCZMFHUSKZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.242,237-682-6,13911-20-1,"(3,4-dichlorophenyl)methoxyacetic acid","[(3,4-dichlorobenzyl)oxy]acetic acid",OC(=O)COCc1ccc(Cl)c(Cl)c1,OC(=O)COCc1ccc(Cl)c(Cl)c1,"InChI=1/C9H8Cl2O3/c10-7-2-1-6(3-8(7)11)4-14-5-9(12)13/h1-3H,4-5H2,(H,12,13)",C9H8Cl2O3,,,,,,MWZJIYRBTKZIPI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.271,238-815-0,14753-26-5,3-chloropropylamine,3-chloropropan-1-amine,NCCCCl,NCCCCl,"InChI=1/C3H8ClN/c4-2-1-3-5/h1-3,5H2",C3H8ClN,,,,,,BZFKSWOGZQMOMO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.275,238-819-2,14760-11-3,"2,2,5,5-tetramethyl-1,3-dioxa-2-silacyclohexane","2,2,5,5-tetramethyl-1,3,2-dioxasilinane",CC1(C)CO[Si](C)(C)OC1,CC1(C)CO[Si](C)(C)OC1,"InChI=1/C7H16O2Si/c1-7(2)5-8-10(3,4)9-6-7/h5-6H2,1-4H3",C7H16O2Si,,,,,,WVXPCWBDKBJFEY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.279,238-823-4,14763-20-3,(3-chlorophenyl)hydrazine,(3-chlorophenyl)hydrazine,NNc1cccc(Cl)c1,NNc1cccc(Cl)c1,"InChI=1/C6H7ClN2/c7-5-2-1-3-6(4-5)9-8/h1-4,9H,8H2",C6H7ClN2,,,,,,GFPJLZASIVURDY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.286,238-831-8,14767-09-0,Thallium iodate,thallium(1+) iodate,[Tl+].[O-]I(=O)=O,[Tl+].[O-]I(=O)=O,"InChI=1/HIO3.Tl/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",HIO3.Tl,,,,,,CAYDDMLOPABSRH-UHFFFAOYSA-M,,,,,,,,,,,
100.035.290,238-836-5,14769-73-4,Levamisole,"6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole",C1CN2C[C@@H](N=C2S1)c3ccccc3,C1CN2C[C@@H](N=C2S1)c3ccccc3,"InChI=1/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2",C11H12N2S,,,,,,HLFSDGLLUJUHTE-SNVBAGLBSA-N,Positive,AU117201|AU117202|AU117203|AU117204|AU117205;EA285701|EA285702|EA285703|EA285704|EA285705|EA285706|EA285707|EA285708|EA285709|EA285710|EA285711|EA285712|EA285713|EA285714,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,205.0766:206.0804:207.0722|205.0762:178.0588:206.0792|178.0585:205.0758:123.0209|178.0585:123.0208:130.0575|130.0575:128.0539:117.0492;178.0688:205.0798:145.0762|205.0796|205.0797:178.0689:91.0539|205.0796:178.0685:146.0964|205.0796:178.0687:146.0966|178.0686:205.0794:123.0263|178.0686:91.0543:123.0264|205.0795|205.0795:178.0693|205.0795:178.0685:146.0965|205.0796:178.0687:146.0965|178.0686:205.0796:123.0264|178.0686:91.0543:123.0263|178.0686:205.0795:145.0761,Athens_Univ;Eawag,,,,,
100.035.295,238-841-2,14774-36-8,Tetrahydro-2H-pyran-3-methanol,tetrahydro-2H-pyran-3-ylmethanol,OCC1CCCOC1,OCC1CCCOC1,"InChI=1/C6H12O2/c7-4-6-2-1-3-8-5-6/h6-7H,1-5H2",C6H12O2,,,,,,VFTQJKSRDCKVQA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.306,238-853-8,14785-95-6,"N-(6-amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)formamide","N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamide",CN1C(=O)NC(=O)C(=C1N)NC=O,CN1C(=O)NC(=O)C(=C1N)NC=O,"InChI=1/C6H8N4O3/c1-10-4(7)3(8-2-11)5(12)9-6(10)13/h2H,7H2,1H3,(H,8,11)(H,9,12,13)",C6H8N4O3,,,,,,WIORCHCZQJVXLD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.307,238-854-3,14786-27-7,Benzyl 4-nitrobenzoate,benzyl 4-nitrobenzoate,[O-][N+](=O)c1ccc(cc1)C(=O)OCc2ccccc2,[O-][N+](=O)c1ccc(cc1)C(=O)OCc2ccccc2,"InChI=1/C14H11NO4/c16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9H,10H2",C14H11NO4,,,,,,XCQFGJYVKKCUFX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.310,238-858-5,14796-93-1,Strontium dilaurate,strontium didodecanoate,[Sr+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Sr,,,,,,OYNZODZYCSVISG-UHFFFAOYSA-L,,,,,,,,,,,
100.035.312,238-860-6,14796-95-3,Strontium dipalmitate,strontium dihexadecanoate,[Sr+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Sr,,,,,,FFWPRAMVYXHCAT-UHFFFAOYSA-L,,,,,,,,,,,
100.032.269,235-509-9,12255-53-7,Tricalcium diarsenide,tricalcium diarsenide,[Ca+2].[Ca+2].[Ca+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],[Ca+2].[Ca+2].[Ca+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],"InChI=1/6As2H3.3Ca/c6*1-2;;;/h6*1H,2H2;;;/q6*-1;3*+2",As2Ca3,,,,,,KPPQZZQBSBIOEC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.287,235-529-8,12262-91-8,"Cerium, compound with magnesium (1:1)",cerium - magnesium (1:1),[MgH2].[Ce],[MgH2].[Ce],InChI=1/Ce.Mg.2H/q+3;+2;;/rCe.H2Mg/h;1H2/q+3;+2,Ce.Mg,,,,,,WZVKOPWAFSEFRX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.297,235-540-8,12267-60-6,"Aluminium, compound with lutetium (2:1)",aluminum - lutetium (2:1),[AlH3].[AlH3].[Lu],[AlH3].[AlH3].[Lu],InChI=1/2Al.Lu.6H/q3*+3;;;;;;/r2AlH3.Lu/h2*1H3;/q3*+3,Al.Lu,,,,,,FNFXYMXNMGLLGO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.299,235-542-9,12268-07-4,"Cobalt, compound with lanthanum (7:2)",cobalt - lanthanum (7:2),[Co].[Co].[Co].[Co].[Co].[Co].[Co].[La].[La],[Co].[Co].[Co].[Co].[Co].[Co].[Co].[La].[La],InChI=1/7Co.2La/q7*+2;2*+3,Co.La,,,,,,WSUMWSYPKHNGLA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.846,240-547-4,16490-68-9,2-chloroacrylamide,2-chloroacrylamide,NC(=O)C(=C)Cl,NC(=O)C(=C)Cl,"InChI=1/C3H4ClNO/c1-2(4)3(5)6/h1H2,(H2,5,6)",C3H4ClNO,,,,,,YBXYCBGDIALKAK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.856,240-558-4,16493-35-9,Undecyl methacrylate,undecyl methacrylate,CCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3/h2,4-13H2,1,3H3",C15H28O2,,,,,,KRLHYNPADOCLAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.858,240-561-0,16494-24-9,4-ethoxyphenyl 4-[(butoxycarbonyl)oxy]benzoate,4-ethoxyphenyl 4-[(butoxycarbonyl)oxy]benzoate,CCCCOC(=O)Oc1ccc(cc1)C(=O)Oc2ccc(OCC)cc2,CCCCOC(=O)Oc1ccc(cc1)C(=O)Oc2ccc(OCC)cc2,"InChI=1/C20H22O6/c1-3-5-14-24-20(22)26-18-8-6-15(7-9-18)19(21)25-17-12-10-16(11-13-17)23-4-2/h6-13H,3-5,14H2,1-2H3",C20H22O6,,,,,,GIJIKFKGLZGENN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.971,239-584-9,15537-55-0,"(1a,2ß,5a)-2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol",5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol,CC(C)[C@@]12CC[C@](C)(O)[C@@H]1C2,CC(C)[C@@]12CC[C@](C)(O)[C@@H]1C2,"InChI=1/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,KXSDPILWMGFJMM-GUBZILKMSA-N,,,,,,,,,,,
100.035.973,239-587-5,15537-73-2,Buformin hydrochloride,N-butylimidodicarbonimidic diamide hydrochloride,Cl.CCCCNC(=N)NC(=N)N,Cl.CCCCNC(=N)NC(=N)N,"InChI=1/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H",C6H15N5.xClH,,,,,,KKLWSPPIRBIEOV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.974,239-588-0,15538-90-6,"(2,7-dinitro-9H-fluoren-9-ylidene)malononitrile","(2,7-dinitro-9H-fluoren-9-ylidene)malononitrile",[O-][N+](=O)c1ccc2c3ccc(cc3C(=C(C#N)C#N)c2c1)[N+](=O)[O-],[O-][N+](=O)c1ccc2c3ccc(cc3C(=C(C#N)C#N)c2c1)[N+](=O)[O-],InChI=1/C16H6N4O4/c17-7-9(8-18)16-14-5-10(19(21)22)1-3-12(14)13-4-2-11(20(23)24)6-15(13)16/h1-6H,C16H6N4O4,,,,,,DBOFUBZQRADHSA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.976,239-590-1,15541-60-3,"Diphosphoric acid, compound with 1,3,5-triazine-2,4,6-triamine","diphosphoric acid - 1,3,5-triazine-2,4,6-triamine (1:1)",Nc1nc(N)nc(N)n1.OP(=O)(O)OP(=O)(O)O,Nc1nc(N)nc(N)n1.OP(=O)(O)OP(=O)(O)O,"InChI=1/C3H6N6.H4O7P2/c4-1-7-2(5)9-3(6)8-1;1-8(2,3)7-9(4,5)6/h(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)",C3H6N6.xH4O7P2,,,,,,XZTOTRSSGPPNTB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.979,239-593-8,15545-97-8,"2,2'-azobis[4-methoxy-2,4-dimethylvaleronitrile]","2,2'-diazene-1,2-diylbis(4-methoxy-2,4-dimethylpentanenitrile)",CC(C)(CC(C)(N=NC(C)(CC(C)(C)OC)C#N)C#N)OC,CC(C)(CC(C)(N=NC(C)(CC(C)(C)OC)C#N)C#N)OC,"InChI=1/C16H28N4O2/c1-13(2,21-7)9-15(5,11-17)19-20-16(6,12-18)10-14(3,4)22-8/h9-10H2,1-8H3",C16H28N4O2,,,,,,PFHOSZAOXCYAGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.985,239-600-4,15547-17-8,"6-ethyl-1,2,3,4-tetrahydroanthraquinone","6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione",CCc1ccc2C(=O)C3=C(CCCC3)C(=O)c2c1,CCc1ccc2C(=O)C3=C(CCCC3)C(=O)c2c1,"InChI=1/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9H,2-6H2,1H3",C16H16O2,,,,,,PXLXSNXYTNRKFR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.995,239-611-4,15558-50-6,3-(2-methylaminoethyl)indol-5-ol oxalate,3-[2-(methylamino)ethyl]-1H-indol-5-ol ethanedioate (salt),CNCCc1c[nH]c2ccc(O)cc12.OC(=O)C(=O)O,CNCCc1c[nH]c2ccc(O)cc12.OC(=O)C(=O)O,"InChI=1/C11H14N2O.C2H2O4/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;3-1(4)2(5)6/h2-3,6-7,12-14H,4-5H2,1H3;(H,3,4)(H,5,6)",C11H14N2O.xC2H2O4,,,,,,DYOZWAJOUTVNAF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.126,240-855-9,16832-93-2,1H-indene-2-carboxamide,1H-indene-2-carboxamide,NC(=O)C1=Cc2ccccc2C1,NC(=O)C1=Cc2ccccc2C1,"InChI=1/C10H9NO/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2,(H2,11,12)",C10H9NO,,,,,,OAQQLPVORBNWBV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.985,236-299-1,13287-49-5,p-nitrobenzyl thiocyanate,4-nitrobenzyl thiocyanate,[O-][N+](=O)c1ccc(CSC#N)cc1,[O-][N+](=O)c1ccc(CSC#N)cc1,"InChI=1/C8H6N2O2S/c9-6-13-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2",C8H6N2O2S,,,,,,NUMYTLIHYKESKM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.987,236-301-0,13288-50-1,N-(1-methylundecyl)acrylamide,N-(1-methylundecyl)acrylamide,CCCCCCCCCCC(C)NC(=O)C=C,CCCCCCCCCCC(C)NC(=O)C=C,"InChI=1/C15H29NO/c1-4-6-7-8-9-10-11-12-13-14(3)16-15(17)5-2/h5,14H,2,4,6-13H2,1,3H3,(H,16,17)",C15H29NO,,,,,,ACALHKQKISMQQT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.989,236-303-1,13289-18-4,Hellebrin,"3-[(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O,"InChI=1/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3",C36H52O15,,,,,,DCSLTSSPIJWEJN-YRFFWODSSA-N,,,,,,,,,,,
100.032.995,236-309-4,13291-96-8,Sodium (R)-[(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate,sodium [(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate,[Na+].COC(=O)C=C(C)N[C@@H](C([O-])=O)c1ccccc1,[Na+].COC(=O)C=C(C)N[C@@H](C([O-])=O)c1ccccc1,"InChI=1/C13H15NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-8,12,14H,1-2H3,(H,16,17);/q;+1/p-1",C13H15NO4.Na,,,,,,VWAWMPXOFHGGMY-UTONKHPSSA-M,,,,,,,,,,,
100.034.500,237-965-4,14110-71-5,"Octahydro-6,7a-dihydroxy-4-methyl-7-[4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl]-3-(phenylmethyl)-1H-isoindol-1-one","3-benzyl-6,7a-dihydroxy-4-methyl-7-[4-methyl-7-(5-oxotetrahydrofuran-2-yl)hept-1-en-1-yl]octahydro-1H-isoindol-1-one",OC43C(=O)NC(Cc1ccccc1)C4C(C)CC(O)C3C=CCC(C)CCCC2CCC(=O)O2,OC43C(=O)NC(Cc1ccccc1)C4C(C)CC(O)C3C=CCC(C)CCCC2CCC(=O)O2,"InChI=1/C28H39NO5/c1-18(8-6-12-21-14-15-25(31)34-21)9-7-13-22-24(30)16-19(2)26-23(29-27(32)28(22,26)33)17-20-10-4-3-5-11-20/h3-5,7,10-11,13,18-19,21-24,26,30,33H,6,8-9,12,14-17H2,1-2H3,(H,29,32)",C29H39NO5,,,,,,ZPWQQPUJVCZMSY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.502,237-968-0,14113-01-0,Ethyl hydrogen suberate,8-ethoxy-8-oxooctanoic acid,CCOC(=O)CCCCCCC(=O)O,CCOC(=O)CCCCCCC(=O)O,"InChI=1/C10H18O4/c1-2-14-10(13)8-6-4-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)",C10H18O4,,,,,,KCFVQEAPUOVXTH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.554,245-726-0,23549-24-8,"(20E)-3ß-hydroxypregna-5,16-dien-20-one 20-oxime 3-acetate","20-(hydroxyimino)pregna-5,16-dien-3-yl acetate",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4\\C(=N\\O)\\C)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4\C(=N\O)\C)[C@@H]3CC=C2C1,"InChI=1/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3",C23H33NO3,,,,,,OVKSHCIVDWZSJD-PYABZAOMSA-N,,,,,,,,,,,
100.041.555,245-727-6,23550-40-5,4-methyl-4-(methylthio)pentan-2-one,4-methyl-4-(methylsulfanyl)pentan-2-one,CSC(C)(C)CC(=O)C,CSC(C)(C)CC(=O)C,"InChI=1/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3",C7H14OS,,,,,,DHANVOSHQILVNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.560,245-732-3,23554-70-3,Sodium 5-allyl-5-isobutylbarbiturate,"sodium 5-allyl-5-isobutyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CC(C)CC1(CC=C)C(=O)NC(=NC1=O)[O-],[Na+].CC(C)CC1(CC=C)C(=O)NC(=NC1=O)[O-],"InChI=1/C11H16N2O3.Na/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15;/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16);/q;+1/p-1",C11H16N2O3.Na,,,,,,LIZXGILRVOONMO-UHFFFAOYSA-M,,,,,,,,,,,
100.041.566,245-739-1,23563-26-0,N-(4-butoxyphenyl)acetamide,N-(4-butoxyphenyl)acetamide,CCCCOc1ccc(NC(=O)C)cc1,CCCCOc1ccc(NC(=O)C)cc1,"InChI=1/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)",C12H17NO2,,,,,,JYMFGHFNWSMPBP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.573,245-747-5,23570-56-1,Carbonic acid potassium zirconium salt,-,[K+].[Zr+2].[O-]C(=O)[O-],[K+].[Zr+2].[O-]C(=O)[O-],"InChI=1/CH2O3.K.Zr/c2-1(3)4;;/h(H2,2,3,4);;/q;+1;+2/p-2",CH2O3.xK.xZr,,,,,,GOOHCTGYRAKABZ-UHFFFAOYSA-L,,,,,,,,,,,
100.041.574,245-748-0,23573-99-1,"Methyl a,2,6-trimethyl-4-morpholinepropionate","methyl 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanoate",COC(=O)C(C)CN1CC(C)OC(C)C1,COC(=O)C(C)CN1CC(C)OC(C)C1,"InChI=1/C11H21NO3/c1-8(11(13)14-4)5-12-6-9(2)15-10(3)7-12/h8-10H,5-7H2,1-4H3",C11H21NO3,,,,,,DAIWMSPNLHFQOF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.577,245-751-7,23580-51-0,3-methyloct-1-yn-3-ol,3-methyloct-1-yn-3-ol,CCCCCC(C)(O)C#C,CCCCCC(C)(O)C#C,"InChI=1/C9H16O/c1-4-6-7-8-9(3,10)5-2/h2,10H,4,6-8H2,1,3H3",C9H16O,,,,,,ZBDMJPAJZFSKPR-UHFFFAOYSA-N,,,,,,,,,,,
100.045.291,249-837-5,29770-73-8,2-ethyl-3-methylvaleronitrile,2-ethyl-3-methylpentanenitrile,CCC(C)C(CC)C#N,CCC(C)C(CC)C#N,"InChI=1/C8H15N/c1-4-7(3)8(5-2)6-9/h7-8H,4-5H2,1-3H3",C8H15N,,,,,,JFGCXMPQNHUOAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.292,249-838-0,29772-02-9,1-chloro-4-[[(3-iodo-2-propynyl)oxy]methoxy]benzene,1-chloro-4-{[(3-iodoprop-2-yn-1-yl)oxy]methoxy}benzene,Clc1ccc(OCOCC#CI)cc1,Clc1ccc(OCOCC#CI)cc1,"InChI=1/C10H8ClIO2/c11-9-2-4-10(5-3-9)14-8-13-7-1-6-12/h2-5H,7-8H2",C10H8ClIO2,,,,,,KQLBUIOMHNFZMD-UHFFFAOYSA-N,,,,,,,,,,,
100.045.296,249-842-2,29779-09-7,Calcium 3-hydroxy-4-[[1-(sulphonatomethyl)-2-naphthyl]azo]-2-naphthoate,calcium 3-hydroxy-4-{[1-(sulfonatomethyl)-2-naphthyl]diazenyl}-2-naphthoate,[Ca+2].[O-]S(=O)(=O)Cc3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Ca+2].[O-]S(=O)(=O)Cc3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C22H16N2O6S.Ca/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30;/h1-11,25H,12H2,(H,26,27)(H,28,29,30);/q;+2/p-2",C22H16N2O6S.Ca,,,,,,XSEWRWVTXCZMMB-UHFFFAOYSA-L,,,,,,,,,,,
100.045.304,249-851-1,29790-29-2,"(E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one","2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one",CC(=O)\\C=C\\C1=C(C)C(=O)CCC1(C)C,CC(=O)\C=C\C1=C(C)C(=O)CCC1(C)C,"InChI=1/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3",C13H18O2,,,,,,OBHGOXFSRVNKBS-AATRIKPKSA-N,,,,,,,,,,,
100.045.305,249-852-7,29790-52-1,Nicotine salicylate,2-hydroxybenzoic acid - 3-(1-methylpyrrolidin-2-yl)pyridine (1:1),CN1CCC[C@H]1c2cccnc2.OC(=O)c3ccccc3O,CN1CCC[C@H]1c2cccnc2.OC(=O)c3ccccc3O,"InChI=1/C10H14N2.C7H6O3/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;8-6-4-2-1-3-5(6)7(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-4,8H,(H,9,10)",C10H14N2.C7H6O3,,,,,,AIBWPBUAKCMKNS-PPHPATTJSA-N,,,,,,,,,,,
100.045.308,249-855-3,29798-55-8,Tetra-O-allylglucitol,"1,2,3,4-tetra-O-allyl-D-glucitol",OC[C@@H](O)[C@@H](OCC=C)[C@H](OCC=C)[C@H](COCC=C)OCC=C,OC[C@@H](O)[C@@H](OCC=C)[C@H](OCC=C)[C@H](COCC=C)OCC=C,"InChI=1/C18H30O6/c1-5-9-21-14-16(22-10-6-2)18(24-12-8-4)17(15(20)13-19)23-11-7-3/h5-8,15-20H,1-4,9-14H2",C18H30O6,,,,,,AGKVGPNFLGDWCT-XMTFNYHQSA-N,,,,,,,,,,,
100.045.315,249-863-7,29806-75-5,2-ethylhexyl myristate,2-ethylhexyl myristate,CCCCCCCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C22H44O2/c1-4-7-9-10-11-12-13-14-15-16-17-19-22(23)24-20-21(6-3)18-8-5-2/h21H,4-20H2,1-3H3",C22H44O2,,,,,,GRXOKLJPWSYWIA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.321,249-870-5,29811-04-9,"1,2,3,6-tetrahydro-4-(4-methylpent-3-enyl)phthalic anhydride","5-(4-methylpent-3-en-1-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC(=CCCC1=CCC2C(C1)C(=O)OC2=O)C,CC(=CCCC1=CCC2C(C1)C(=O)OC2=O)C,"InChI=1/C14H18O3/c1-9(2)4-3-5-10-6-7-11-12(8-10)14(16)17-13(11)15/h4,6,11-12H,3,5,7-8H2,1-2H3",C14H18O3,,,,,,USHLVOCVVSTOQO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.323,249-872-6,29811-50-5,Octyl 2-methylbutyrate,octyl 2-methylbutanoate,CCCCCCCCOC(=O)C(C)CC,CCCCCCCCOC(=O)C(C)CC,"InChI=1/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3",C13H26O2,,,,,,BCOJVEMHTBSAOE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.249,237-689-4,13921-03-4,2-amino-4-(ethylsulphonyl)phenol hydrochloride,2-amino-4-(ethylsulfonyl)phenol hydrochloride,Cl.CCS(=O)(=O)c1ccc(O)c(N)c1,Cl.CCS(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C8H11NO3S.ClH/c1-2-13(11,12)6-3-4-8(10)7(9)5-6;/h3-5,10H,2,9H2,1H3;1H",C8H11NO3S.ClH,,,,,,LHVYMKQYEXNDLW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.180,240-914-9,16881-77-9,Dimethoxymethylsilane,(dimethoxymethyl)silane,COC([SiH3])OC,COC([SiH3])OC,"InChI=1/C3H10O2Si/c1-4-3(6)5-2/h3H,1-2,6H3",C3H10O2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10318,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.180,XYYQWMDBQFSCPB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.184,240-919-6,16883-69-5,1-(2-oxo-2-phenylethyl)pyridinium bromide,1-(2-oxo-2-phenylethyl)pyridinium bromide,[Br-].O=C(C[n+]1ccccc1)c2ccccc2,[Br-].O=C(C[n+]1ccccc1)c2ccccc2,"InChI=1/C13H12NO.BrH/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H/q+1;/p-1",C13H12NO.Br,,,,,,PXSUMUYPXZEXDT-UHFFFAOYSA-M,,,,,,,,,,,
100.037.186,240-921-7,16886-08-1,1-(allyl)-1H-indole,1-allyl-1H-indole,C=CCn1ccc2ccccc12,C=CCn1ccc2ccccc12,"InChI=1/C11H11N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h2-7,9H,1,8H2",C11H11N,,,,,,HVTZRDOAWZPREA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.188,240-923-8,16889-10-4,2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitrobenzonitrile,2-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile,CCN(CCC#N)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,CCN(CCC#N)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C18H16N6O2/c1-2-23(11-3-10-19)16-6-4-15(5-7-16)21-22-18-9-8-17(24(25)26)12-14(18)13-20/h4-9,12H,2-3,11H2,1H3",C18H16N6O2,,,,,,QEORVDCGZONWCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.189,240-924-3,16889-14-8,N-[2-(diethylamino)ethyl]stearamide,N-[2-(diethylamino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC,"InChI=1/C24H50N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h4-23H2,1-3H3,(H,25,27)",C24H50N2O,,,,,,KKBOOQDFOWZSDC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.192,240-928-5,16891-80-8,"a-benzyl-5,6-dihydro-2H-pyran-3-methanol","1-(5,6-dihydro-2H-pyran-3-yl)-2-phenylethanol",OC(Cc1ccccc1)C2=CCCOC2,OC(Cc1ccccc1)C2=CCCOC2,"InChI=1/C13H16O2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-3,5-7,13-14H,4,8-10H2",C13H16O2,,,,,,RQCMEGSOOZSUIE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.205,240-942-1,16898-88-7,"3,7-dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-enoate","3,7-dimethylocta-2,6-dien-1-yl 5,9,13-trimethyltetradeca-4,8,12-trienoate",CC(=CCCC(=CCCC(=CCCC(=O)OCC=C(C)CCC=C(C)C)C)C)C,CC(=CCCC(=CCCC(=CCCC(=O)OCC=C(C)CCC=C(C)C)C)C)C,"InChI=1/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3",C27H44O2,,,,,,ZPACYDRSPFRDHO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.206,240-943-7,16899-81-3,"1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino] hydrochloride","1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanone",CC(C)NCC(=O)c1ccc(O)c(O)c1,CC(C)NCC(=O)c1ccc(O)c(O)c1,"InChI=1/C11H15NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,12-14H,6H2,1-2H3",C11H15NO3.ClH,,,,,,BIQMIYWSZZTXEX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.212,240-950-5,16903-52-9,Hydrogen trifluorohydroxyborate(1-),trifluoro(hydroxy)borate(1-),O[B-](F)(F)F,O[B-](F)(F)F,"InChI=1/BF3HO/c2-1(3,4)5/h5H/q-1",BF3HO.H,,,,,,UFNLUVSTNNSLEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.223,240-962-0,16913-63-6,4-nitrophenyl dimethyldithiocarbamate,4-nitrophenyl dimethyldithiocarbamate,CN(C)C(=S)Sc1ccc(cc1)[N+](=O)[O-],CN(C)C(=S)Sc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H10N2O2S2/c1-10(2)9(14)15-8-5-3-7(4-6-8)11(12)13/h3-6H,1-2H3",C9H10N2O2S2,,,,,,BSPPFEBCCBLHGW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.586,238-061-2,14206-01-0,Triacontyl hexacosanoate,triacontyl hexacosanoate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C56H112O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-53-55-58-56(57)54-52-50-48-46-44-42-40-38-36-34-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-55H2,1-2H3",C56H112O2,,,,,,OHXVNPLQCLJGEX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.590,238-065-4,14210-25-4,5-chloro-1-phenyl-1H-tetrazole,5-chloro-1-phenyl-1H-tetrazole,Clc1nnnn1c2ccccc2,Clc1nnnn1c2ccccc2,InChI=1/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,C7H5ClN4,,,,,,DHELIGKVOGTMGF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.591,238-067-5,14214-24-5,Dibutylbis[(2-hydroxybenzoyl)oxy]stannane,"2,2'-[(dibutylstannanediyl)bis(oxycarbonyl)]diphenol",CCCC[Sn](CCCC)(OC(=O)c1ccccc1O)OC(=O)c2ccccc2O,CCCC[Sn](CCCC)(OC(=O)c1ccccc1O)OC(=O)c2ccccc2O,"InChI=1/2C7H6O3.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-4-2;/h2*1-4,8H,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H28O6Sn/c1-3-5-15-29(16-6-4-2,27-21(25)17-11-7-9-13-19(17)23)28-22(26)18-12-8-10-14-20(18)24/h7-14,23-24H,3-6,15-16H2,1-2H3",C22H28O6Sn,,,,,,SEWORRWYWLQQNW-UHFFFAOYSA-L,,,,,,,,,,,
100.034.599,238-075-9,14216-74-1,"Nitric acid, cobalt salt",-,[Co+2].[O-][N+](=O)[O-],[Co+2].[O-][N+](=O)[O-],InChI=1/Co.NO3/c;2-1(3)4/q+2;-1,Co.xHNO3,,,,,,JOTWKNHNNKQWAO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.177,249-710-4,29593-56-4,"9-fluoro-11ß,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione mono(hydrogen succinate)","4-[(9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid",CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)COC(=O)CCC(=O)O,CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)COC(=O)CCC(=O)O,"InChI=1/C25H31FO9/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32)",C25H31FO9,,,,,,LANLTRZXAVUOPI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.183,249-717-2,29597-36-2,"Octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno[5,6-b]oxirene","8,9-epoxycedrane",CC1CCC2C(C)(C)C3CC12CC4OC34C,CC1CCC2C(C)(C)C3CC12CC4OC34C,"InChI=1/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3",C15H24O,,,,,,HZRFVTRTTXBHSE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.184,249-718-8,29597-83-9,"2,3-dihydroxy-N-(2-hydroxyethyl)benzamide","2,3-dihydroxy-N-(2-hydroxyethyl)benzamide",OCCNC(=O)c1cccc(O)c1O,OCCNC(=O)c1cccc(O)c1O,"InChI=1/C9H11NO4/c11-5-4-10-9(14)6-2-1-3-7(12)8(6)13/h1-3,11-13H,4-5H2,(H,10,14)",C9H11NO4,,,,,,NPGHQBAAQRJMAI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.185,249-719-3,29597-84-0,Lead didocosanoate,-,[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC,[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/2C22H44O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;;;/h2*2-21H2,1H3,(H,23,24);;;/q;;+4;;/p-2/r2C22H44O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);1H2/q;;+4/p-2",C22H44O2.1/2Pb,,,,,,KJEHHZFAMCTZJD-UHFFFAOYSA-L,,,,,,,,,,,
100.045.190,249-725-6,29606-79-9,trans-5-methyl-2-(1-methylvinyl)cyclohexan-1-one,2-isopropenyl-5-methylcyclohexanone,C[C@@H]1CC[C@@H](C(=C)C)C(=O)C1,C[C@@H]1CC[C@@H](C(=C)C)C(=O)C1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3",C10H16O,,,,,,RMIANEGNSBUGDJ-BDAKNGLRSA-N,,,,,,,,,,,
100.045.191,249-726-1,29608-49-9,"N,N'-diallyl-6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,3,5-triazine-2,4-diamine dimethanesulphonate","N,N'-diallyl-6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1,3,5-triazine-2,4-diamine dimethanesulfonate",CS(=O)(=O)O.CS(=O)(=O)O.Fc1ccc(cc1)C(N2CCN(CC2)c3nc(NCC=C)nc(NCC=C)n3)c4ccc(F)cc4,CS(=O)(=O)O.CS(=O)(=O)O.Fc1ccc(cc1)C(N2CCN(CC2)c3nc(NCC=C)nc(NCC=C)n3)c4ccc(F)cc4,"InChI=1/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)",C26H29F2N7.2CH4O3S,,,,,,MRDBGMJEPGXQHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.198,249-734-5,29633-64-5,N-[3-(cyclohexylamino)-4-methoxyphenyl]acetamide,N-[3-(cyclohexylamino)-4-methoxyphenyl]acetamide,COc1ccc(NC(=O)C)cc1NC2CCCCC2,COc1ccc(NC(=O)C)cc1NC2CCCCC2,"InChI=1/C15H22N2O2/c1-11(18)16-13-8-9-15(19-2)14(10-13)17-12-6-4-3-5-7-12/h8-10,12,17H,3-7H2,1-2H3,(H,16,18)",C15H22N2O2,,,,,,RDJIABSQIXFOFL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.205,249-741-3,29637-13-6,1-ethyl-2-[[3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]quinolinium,"4-{2-[(1-ethylquinolinium-2-yl)methylene]-1,3-benzothiazol-3(2H)-yl}butane-2-sulfonate",[O-]S(=O)(=O)C(C)CCN3c4ccccc4SC3=Cc1ccc2ccccc2[n+]1CC,[O-]S(=O)(=O)C(C)CCN3c4ccccc4SC3=Cc1ccc2ccccc2[n+]1CC,"InChI=1/C23H24N2O3S2/c1-3-24-19(13-12-18-8-4-5-9-20(18)24)16-23-25(15-14-17(2)30(26,27)28)21-10-6-7-11-22(21)29-23/h4-13,16-17H,3,14-15H2,1-2H3",C23H24N2O3S2,,,,,,PLTCHVJRCUWJNU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.214,249-751-8,29654-55-5,5-(hydroxymethyl)resorcinol,"5-(hydroxymethyl)benzene-1,3-diol",OCc1cc(O)cc(O)c1,OCc1cc(O)cc(O)c1,"InChI=1/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2",C7H8O3,,,,,,NGYYFWGABVVEPL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.318,238-866-9,14802-41-6,"trans-2,4'-vinylenedipyridine",2-(2-pyridin-4-ylvinyl)pyridine,C(=Cc1ccccn1)c2ccncc2,C(=Cc1ccccn1)c2ccncc2,InChI=1/C12H10N2/c1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11/h1-10H,C12H10N2,,,,,,RETWYDZOYDJBIX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.323,238-872-1,14805-54-0,"N,N'-bis(2,4-dinitrophenyl)oxamide","N,N'-bis(2,4-dinitrophenyl)ethanediamide",[O-][N+](=O)c1ccc(NC(=O)C(=O)Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(NC(=O)C(=O)Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C14H8N6O10/c21-13(15-9-3-1-7(17(23)24)5-11(9)19(27)28)14(22)16-10-4-2-8(18(25)26)6-12(10)20(29)30/h1-6H,(H,15,21)(H,16,22)",C14H8N6O10,,,,,,NRBLVWUJTCZMHI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.332,238-882-6,14814-02-9,Titanium lactate,titanium(2+) bis(2-hydroxypropanoate),[Ti+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Ti+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Ti/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C3H6O3.xTi,,,,,,SRLPPRVVQNACSW-UHFFFAOYSA-L,,,,,,,,,,,
100.035.335,238-885-2,14815-86-2,4-(trichloromethyl)benzoyl chloride,4-(trichloromethyl)benzoyl chloride,ClC(=O)c1ccc(cc1)C(Cl)(Cl)Cl,ClC(=O)c1ccc(cc1)C(Cl)(Cl)Cl,"InChI=1/C8H4Cl4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H",C8H4Cl4O,,,,,,LNIAVCRNJMPGGT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.341,238-892-0,14818-98-5,(-)-N-(1-cyano-1-vanillylethyl)acetamide,N-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]acetamide,COc1cc(CC(C)(NC(=O)C)C#N)ccc1O,COc1cc(CC(C)(NC(=O)C)C#N)ccc1O,"InChI=1/C13H16N2O3/c1-9(16)15-13(2,8-14)7-10-4-5-11(17)12(6-10)18-3/h4-6,17H,7H2,1-3H3,(H,15,16)",C13H16N2O3,,,,,,LWNXUHPNXYVCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.506,237-972-2,14118-83-3,Diiodooxozirconium,diiodo(oxo)zirconium,I[Zr](=O)I,I[Zr](=O)I,InChI=1/2HI.O.Zr/h2*1H;;/q;;;+2/p-2/rI2OZr/c1-4(2)3,I2OZr,,,,,,OWGWRLVESPGBSI-UHFFFAOYSA-L,,,,,,,,,,,
100.034.507,237-973-8,14121-36-9,"2,3,4,6-tetrachloropyridine","2,3,4,6-tetrachloropyridine",Clc1cc(Cl)c(Cl)c(Cl)n1,Clc1cc(Cl)c(Cl)c(Cl)n1,InChI=1/C5HCl4N/c6-2-1-3(7)10-5(9)4(2)8/h1H,C5HCl4N,,,,,,FZFNDUTVMQOPCT-UHFFFAOYSA-N,,,,,,,,,,,
100.034.509,237-975-9,14121-55-2,"1,2,3,4-tetrahydro-2,3-dioxoquinoxaline-6-carboxylic acid","2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid",OC(=O)c1ccc2NC(=O)C(=O)Nc2c1,OC(=O)c1ccc2NC(=O)C(=O)Nc2c1,"InChI=1/C9H6N2O4/c12-7-8(13)11-6-3-4(9(14)15)1-2-5(6)10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15)",C9H6N2O4,,,,,,YGJDUUUPLPMKSN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.516,237-983-2,14130-41-7,"Phenyl 1,4-diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","phenyl 1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Oc4ccccc4,Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)Oc4ccccc4,"InChI=1/C20H14N2O5S/c21-14-10-15(28(25,26)27-11-6-2-1-3-7-11)18(22)17-16(14)19(23)12-8-4-5-9-13(12)20(17)24/h1-10H,21-22H2",C20H14N2O5S,,,,,,DQTIHYAULLHSID-UHFFFAOYSA-N,,,,,,,,,,,
100.034.517,237-984-8,14132-84-4,"5-anilino-4-phenyl-4H-1,2,4-triazole-3-thiol","5-anilino-4-phenyl-4H-1,2,4-triazole-3-thiol",Sc1nnc(Nc2ccccc2)n1c3ccccc3,Sc1nnc(Nc2ccccc2)n1c3ccccc3,"InChI=1/C14H12N4S/c19-14-17-16-13(15-11-7-3-1-4-8-11)18(14)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,19)",C14H12N4S,,,,,,ADVANMXLTWBUFC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.520,237-987-4,14134-79-3,3-methyl-2-[3-(3-methyl-3H-benzoxazol-2-ylidene)prop-1-enyl]benzoxazolium iodide,"3-methyl-2-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide",[I-].C[n+]3c4ccccc4oc3C=CC=C2Oc1ccccc1N2C,[I-].C[n+]3c4ccccc4oc3C=CC=C2Oc1ccccc1N2C,"InChI=1/C19H17N2O2.HI/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;/h3-13H,1-2H3;1H/q+1;/p-1",C19H17N2O2.I,,,,,,PXGXZGVGEDLSMW-UHFFFAOYSA-M,,,,,,,,,,,
100.034.521,237-989-5,14140-15-9,4-(2-bromoethyl)phenol,4-(2-bromoethyl)phenol,Oc1ccc(CCBr)cc1,Oc1ccc(CCBr)cc1,"InChI=1/C8H9BrO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2",C8H9BrO,,,,,,DYYVTFCYVZEQDG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.527,237-995-8,14150-64-2,Hydrazinoacetic acid,hydrazinoacetic acid,NNCC(=O)O,NNCC(=O)O,"InChI=1/C2H6N2O2/c3-4-1-2(5)6/h4H,1,3H2,(H,5,6)",C2H6N2O2,,,,,,RRBZUCWNYQUCTR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.254,242-095-3,18209-60-4,"1-chloro-N,N,1,1-tetramethylsilylamine","1-chloro-N,N,1,1-tetramethylsilanamine",CN(C)[Si](C)(C)Cl,CN(C)[Si](C)(C)Cl,"InChI=1/C4H12ClNSi/c1-6(2)7(3,4)5/h1-4H3",C4H12ClNSi,,,,,,CFZHOUYDAHXRLY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.255,242-096-9,18211-85-3,Trimercury biscitrate,trimercury biscitrate,[Hg+2].[Hg+2].[Hg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Hg+2].[Hg+2].[Hg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Hg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3/2Hg,,,,,,HDCBDFYSGPMGMJ-UHFFFAOYSA-H,,,,,,,,,,,
100.038.264,242-107-7,18228-43-8,4-chloro-a-cyclopropylbenzyl alcohol,(4-chlorophenyl)(cyclopropyl)methanol,OC(C1CC1)c2ccc(Cl)cc2,OC(C1CC1)c2ccc(Cl)cc2,"InChI=1/C10H11ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2",C10H11ClO,,,,,,CLKPSDBTSRWVOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.266,242-109-8,18229-17-9,8-hydroxytetradecan-7-one,8-hydroxytetradecan-7-one,CCCCCCC(O)C(=O)CCCCCC,CCCCCCC(O)C(=O)CCCCCC,"InChI=1/C14H28O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13,15H,3-12H2,1-2H3",C14H28O2,,,,,,PQESRTWBQJRGON-UHFFFAOYSA-N,,,,,,,,,,,
100.038.268,242-111-9,18229-85-1,"1,1-diethoxyhex-3-yne","1,1-diethoxyhex-3-yne",CCOC(CC#CCC)OCC,CCOC(CC#CCC)OCC,"InChI=1/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-6,9H2,1-3H3",C10H18O2,,,,,,ABFCOHSGVBONIO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.274,242-118-7,18244-73-0,"Tetradecyl 3,4,5-trihydroxybenzoate","tetradecyl 3,4,5-trihydroxybenzoate",CCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,CCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C21H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-21(25)17-15-18(22)20(24)19(23)16-17/h15-16,22-24H,2-14H2,1H3",C21H34O5,,,,,,BQWQGCZOPQEUIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.276,242-120-8,18244-95-6,Methyltrivinylsilane,methyl(trivinyl)silane,C[Si](C=C)(C=C)C=C,C[Si](C=C)(C=C)C=C,"InChI=1/C7H12Si/c1-5-8(4,6-2)7-3/h5-7H,1-3H2,4H3",C7H12Si,,,,,,PKRKCDBTXBGLKV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.277,242-121-3,18245-29-9,Bicyclo[2.2.1]hept-2-yltrichlorosilane,bicyclo[2.2.1]hept-2-yl(trichloro)silane,Cl[Si](Cl)(Cl)C1CC2CCC1C2,Cl[Si](Cl)(Cl)C1CC2CCC1C2,"InChI=1/C7H11Cl3Si/c8-11(9,10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2",C7H11Cl3Si,,,,,,FMUGJGVGEWHETE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.331,249-881-5,29820-13-1,Calcium sulphidoacetate,calcium bis(sulfanylacetate),SCC(=O)O[Ca]OC(=O)CS,SCC(=O)O[Ca]OC(=O)CS,"InChI=1/2C2H4O2S.Ca/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2",C2H4O2S.Ca,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5341,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.331,CNYFJCCVJNARLE-UHFFFAOYSA-L,,,,,,,,,,,
100.044.827,249-325-1,28950-66-5,"Disodium 4,4'-bis[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Cl)nc(n2)N3CCOCC3)ccc1\\C=C\\c4ccc(Nc5nc(Cl)nc(n5)N6CCOCC6)cc4S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Cl)nc(n2)N3CCOCC3)ccc1\C=C\c4ccc(Nc5nc(Cl)nc(n5)N6CCOCC6)cc4S(=O)(=O)[O-],"InChI=1/C28H28Cl2N10O8S2.2Na/c29-23-33-25(37-27(35-23)39-7-11-47-12-8-39)31-19-5-3-17(21(15-19)49(41,42)43)1-2-18-4-6-20(16-22(18)50(44,45)46)32-26-34-24(30)36-28(38-26)40-9-13-48-14-10-40;;/h1-6,15-16H,7-14H2,(H,41,42,43)(H,44,45,46)(H,31,33,35,37)(H,32,34,36,38);;/q;2*+1/p-2",C28H28Cl2N10O8S2.2Na,,,,,,AOJDMXXNCHEOEF-SEPHDYHBSA-L,,,,,,,,,,,
100.044.828,249-326-7,28953-96-0,1-chloro-2-isopropyl-5-methylcyclohexane,2-chloro-1-isopropyl-4-methylcyclohexane,CC(C)C1CCC(C)CC1Cl,CC(C)C1CCC(C)CC1Cl,"InChI=1/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3",C10H19Cl,,,,,,OMLOJNNKKPNVKN-UHFFFAOYSA-N,,,,,,,,,,,
100.044.829,249-327-2,28954-12-3,Allo-L-threonine,threonine,C[C@H](O)[C@H](N)C(O)=O,C[C@H](O)[C@H](N)C(O)=O,"InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)",C4H9NO3,,,,,,AYFVYJQAPQTCCC-HRFVKAFMSA-N,,,,,,,,,,,
100.044.834,249-333-5,28958-27-2,Gadolinium tribromate,gadolinium tribromate,[Gd+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Gd+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Gd/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Gd,,,,,,SLYHXDGFVZPQQE-UHFFFAOYSA-K,,,,,,,,,,,
100.044.836,249-335-6,28958-29-4,Holmium tribromate,holmium tribromate,[Ho+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Ho+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Ho/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Ho,,,,,,IJTJMQRFHUZJHG-UHFFFAOYSA-K,,,,,,,,,,,
100.044.839,249-338-2,28958-85-2,ß-pilocarpine hydrochloride,3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one hydrochloride,Cl.CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O,Cl.CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O,"InChI=1/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H",C11H16N2O2.ClH,,,,,,RNAICSBVACLLGM-KXNXZCPBSA-N,,,,,,,,,,,
100.044.841,249-340-3,28965-79-9,[[(naphthylmethylene)amino]sulphonyl]acetic acid,[(1-naphthylmethylene)sulfamoyl]acetic acid,OC(=O)CS(=O)(=O)N=Cc2cccc1ccccc12,OC(=O)CS(=O)(=O)N=Cc2cccc1ccccc12,"InChI=1/C13H11NO4S/c15-13(16)9-19(17,18)14-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H,15,16)",C13H11NO4S,,,,,,JZKYSWRJGPWVDK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.842,249-341-9,28965-88-0,[(isononyloxy)methyl]oxirane,2-{[(7-methyloctyl)oxy]methyl}oxirane,CC(C)CCCCCCOCC1CO1,CC(C)CCCCCCOCC1CO1,"InChI=1/C12H24O2/c1-11(2)7-5-3-4-6-8-13-9-12-10-14-12/h11-12H,3-10H2,1-2H3",C12H24O2,,,,,,JSZKLRMSOMDYEI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.848,249-348-7,28980-49-6,"Antimony, compound with tin (1:1)",-,[Sn].[Sb],[Sn].[Sb],InChI=1/Sb.Sn.2H/q+3;+4;;/rSb.H2Sn/h;1H2/q+3;+4,Sb.Sn,,,,,,GVFOJDIFWSDNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.044.850,249-350-8,28983-26-8,2-isononyl-p-cresol,4-methyl-2-(7-methyloctyl)phenol,CC(C)CCCCCCc1cc(C)ccc1O,CC(C)CCCCCCc1cc(C)ccc1O,"InChI=1/C16H26O/c1-13(2)8-6-4-5-7-9-15-12-14(3)10-11-16(15)17/h10-13,17H,4-9H2,1-3H3",C16H26O,,,,,,ODLQBYYWVWMCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.044.851,249-351-3,28983-37-1,tert-tetradecanethiol,2-methyltridecane-2-thiol,CCCCCCCCCCCC(C)(C)S,CCCCCCCCCCCC(C)(C)S,"InChI=1/C14H30S/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h15H,4-13H2,1-3H3",C14H30S,,,,,,LMDDHLWHSDZGIH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.854,249-355-5,28984-69-2,"2-(heptadecenyl)-2-oxazoline-4,4-dimethanol","(2-heptadec-1-en-1-yl-4,5-dihydro-1,3-oxazole-4,4-diyl)dimethanol",OCC1(CO)/N=C(/C=CCCCCCCCCCCCCCCC)OC1,OCC1(CO)/N=C(/C=CCCCCCCCCCCCCCCC)OC1,"InChI=1/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h16-17,24-25H,2-15,18-20H2,1H3",C22H41NO3,,,,,,XOIFQOFMUVENJH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.857,249-358-1,28986-55-2,Bis(dodecylphenyl) disulphide,"1,1'-disulfanediylbis(2-dodecylbenzene)",CCCCCCCCCCCCc1ccccc1SSc2ccccc2CCCCCCCCCCCC,CCCCCCCCCCCCc1ccccc1SSc2ccccc2CCCCCCCCCCCC,"InChI=1/C36H58S2/c1-3-5-7-9-11-13-15-17-19-21-27-33-29-23-25-31-35(33)37-38-36-32-26-24-30-34(36)28-22-20-18-16-14-12-10-8-6-4-2/h23-26,29-32H,3-22,27-28H2,1-2H3",C36H58S2,,,,,,AMXRGFIIUOZHFO-UHFFFAOYSA-N,,,,,,,,,,,
100.044.860,249-361-8,28994-41-4,2-benzylphenol,2-benzylphenol,Oc1ccccc1Cc2ccccc2,Oc1ccccc1Cc2ccccc2,"InChI=1/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2",C13H12O,,,,,,CDMGNVWZXRKJNS-UHFFFAOYSA-N,,,,,,,,,,,
100.044.861,249-362-3,28997-31-1,N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]phthalimide,"2-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione",Cc1ncc([N+](=O)[O-])n1CCN2C(=O)c3ccccc3C2=O,Cc1ncc([N+](=O)[O-])n1CCN2C(=O)c3ccccc3C2=O,"InChI=1/C14H12N4O4/c1-9-15-8-12(18(21)22)16(9)6-7-17-13(19)10-4-2-3-5-11(10)14(17)20/h2-5,8H,6-7H2,1H3",C14H12N4O4,,,,,,JIYZWSLKPBBNTE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.605,238-082-7,14220-17-8,Dipotassium tetracyanoniccolate,dipotassium tetracyanoniccolate,[K+].[K+].N#C[Ni-](C#N)(C#N)C#N.N#C[Ni-](C#N)(C#N)C#N,[K+].[K+].N#C[Ni-](C#N)(C#N)C#N.N#C[Ni-](C#N)(C#N)C#N,"InChI=1/8CN.2K.2Ni/c8*1-2;;;;/q;;;;;;;;2*+1;2*-1/r2C4N4Ni.2K/c2*5-1-9(2-6,3-7)4-8;;/q2*-1;2*+1",C4N4Ni.2K,,,,,,UCKSEVFIXAUJNR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.617,238-095-8,14227-17-9,"2,4,6-trimethoxyaniline","2,4,6-trimethoxyaniline",COc1cc(OC)c(N)c(OC)c1,COc1cc(OC)c(N)c(OC)c1,"InChI=1/C9H13NO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,10H2,1-3H3",C9H13NO3,,,,,,FNSAKXLEFPFZOM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.618,238-096-3,14227-95-3,1-(cyanoacetyl)pyrrolidine,3-oxo-3-pyrrolidin-1-ylpropanenitrile,O=C(CC#N)N1CCCC1,O=C(CC#N)N1CCCC1,"InChI=1/C7H10N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-3,5-6H2",C7H10N2O,,,,,,VEUDVNNBYYRZBV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.621,238-100-3,14230-52-5,2-(3-pentadecylphenoxy)butyric acid,2-(3-pentadecylphenoxy)butanoic acid,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)O)c1,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)O)c1,"InChI=1/C25H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-24(4-2)25(26)27/h17,19-21,24H,3-16,18H2,1-2H3,(H,26,27)",C25H42O3,,,,,,MTBHDSNPUORPTN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.622,238-101-9,14233-37-5,"1,4-bis(isopropylamino)anthraquinone","1,4-bis(isopropylamino)-9,10-anthraquinone",CC(C)Nc1ccc(NC(C)C)c2C(=O)c3ccccc3C(=O)c12,CC(C)Nc1ccc(NC(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H22N2O2/c1-11(2)21-15-9-10-16(22-12(3)4)18-17(15)19(23)13-7-5-6-8-14(13)20(18)24/h5-12,21-22H,1-4H3",C20H22N2O2,,,,,,BLFZMXOCPASACY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.344,242-195-7,18309-32-5,"(1R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one",CC1=CC(=O)[C@@H]2CC1C2(C)C,CC1=CC(=O)[C@@H]2CC1C2(C)C,"InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3",C10H14O,,,,,,DCSCXTJOXBUFGB-MQWKRIRWSA-N,,,,,,,,,,,
100.038.350,242-201-8,18312-32-8,Docosyl (Z)-docos-13-enoate,docosyl docos-13-enoate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C44H86O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-43H2,1-2H3",C44H86O2,,,,,,MQSDOCWFPKXZGN-ZZEZOPTASA-N,,,,,,,,,,,
100.038.352,242-203-9,18312-78-2,Tetrapotassium [(dodecylimino)dimethylene]diphosphonate,tetrapotassium [(dodecylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.4K/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;;;/q;4*+1/p-4",C14H33NO6P2.4K,,,,,,ZYROWPXONRSBKZ-UHFFFAOYSA-J,,,,,,,,,,,
100.038.354,242-206-5,18319-88-5,"Sodium N,N-dimethylglycinate",sodium (dimethylamino)acetate,[Na+].CN(C)CC(=O)[O-],[Na+].CN(C)CC(=O)[O-],"InChI=1/C4H9NO2.Na/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);/q;+1/p-1",C4H9NO2.Na,,,,,,QGPBIYNLYDWLQE-UHFFFAOYSA-M,,,,,,,,,,,
100.038.364,242-217-5,18328-90-0,N-ethylmethacrylamine,N-ethyl-2-methylprop-2-en-1-amine,CCNCC(=C)C,CCNCC(=C)C,"InChI=1/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3",C6H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11358,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.364,AXTLFVLHXSDZOW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.367,242-220-1,18339-16-7,5a-androst-16-en-3-one,androst-16-en-3-one,C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2,C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2,"InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3",C19H28O,,,,,,HFVMLYAGWXSTQI-QYXZOKGRSA-N,,,,,,,,,,,
100.038.369,242-222-2,18342-39-7,"1,2-dihydro-4-(isopropylamino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one monohydrochloride","4-(isopropylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one hydrochloride",Cl.CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2,Cl.CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C14H19N3O.ClH/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12;/h5-10,15H,1-4H3;1H",C14H19N3O.ClH,,,,,,WJPVTNJDDFIBKU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.377,235-629-1,12393-01-0,(Z)-(octadec-9-enoato-O)oxoaluminium,(octadec-9-enoato-kappaO)(oxo)aluminum,CCCCCCCCC=CCCCCCCCC(=O)O[Al]=O,CCCCCCCCC=CCCCCCCCC(=O)O[Al]=O,"InChI=1/C18H34O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;+1;/p-1/rC18H33AlO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)22-19-21/h9-10H,2-8,11-17H2,1H3",C18H33AlO3,,,,,,AUXUFGOTIZTYEM-UHFFFAOYSA-M,,,,,,,,,,,
100.035.756,239-349-0,15307-93-4,"2,6-dichloro-N-phenylaniline","2,6-dichloro-N-phenylaniline",Clc1cccc(Cl)c1Nc2ccccc2,Clc1cccc(Cl)c1Nc2ccccc2,"InChI=1/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H",C12H9Cl2N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13891,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.756,HDUUZPLYVVQTKN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.758,239-351-1,15308-34-6,DL-aminomethyl-3-hydroxybenzyl alcohol hydrochloride,2-(aminomethyl)-3-(hydroxymethyl)phenol hydrochloride,Cl.NCc1c(O)cccc1CO,Cl.NCc1c(O)cccc1CO,"InChI=1/C8H11NO2.ClH/c9-4-7-6(5-10)2-1-3-8(7)11;/h1-3,10-11H,4-5,9H2;1H",C8H11NO2.ClH,,,,,,JQTDKGBWWIZHCG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.767,239-361-6,15329-69-8,4-(benzylamino)-4-oxoisocrotonic acid,4-(benzylamino)-4-oxobut-2-enoic acid,OC(=O)\\C=C/C(=O)NCc1ccccc1,OC(=O)\C=C/C(=O)NCc1ccccc1,"InChI=1/C11H11NO3/c13-10(6-7-11(14)15)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)",C11H11NO3,,,,,,BHWGQIYJCMMSNM-SREVYHEPSA-N,,,,,,,,,,,
100.035.348,238-899-9,14835-74-6,"Trisodium 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracenedisulphonate","trisodium 5-amino-8-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-1,2-disulfonate",[Na+].[Na+].[Na+].Nc1ccc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)[O-])c4C(=O)c5c(ccc(c5S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)c14,[Na+].[Na+].[Na+].Nc1ccc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)[O-])c4C(=O)c5c(ccc(c5S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)c14,"InChI=1/C23H14Cl2N6O11S3.3Na/c24-21-29-22(25)31-23(30-21)28-11-4-1-8(7-14(11)44(37,38)39)27-12-5-3-10(26)16-17(12)19(33)15-9(18(16)32)2-6-13(43(34,35)36)20(15)45(40,41)42;;;/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31);;;/q;3*+1/p-3",C23H14Cl2N6O11S3.3Na,,,,,,VLGCZPPVSMOINE-UHFFFAOYSA-K,,,,,,,,,,,
100.035.354,238-906-5,14846-08-3,Sodium 2-(p-aminoanilino)-5-nitrobenzenesulphonate,sodium 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonate,[Na+].Nc1ccc(Nc2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])cc1,[Na+].Nc1ccc(Nc2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])cc1,"InChI=1/C12H11N3O5S.Na/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20;/h1-7,14H,13H2,(H,18,19,20);/q;+1/p-1",C12H11N3O5S.Na,,,,,,XSXRGWHJJRBOGQ-UHFFFAOYSA-M,,,,,,,,,,,
100.030.821,233-917-1,10433-59-7,"Sodium 4-(2,4-dichlorophenoxy)butyrate","sodium 4-(2,4-dichlorophenoxy)butanoate",[Na+].[O-]C(=O)CCCOc1ccc(Cl)cc1Cl,[Na+].[O-]C(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C10H10Cl2O3.Na/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14;/h3-4,6H,1-2,5H2,(H,13,14);/q;+1/p-1",C10H10Cl2O3.Na,,,,,,PPKIJAQKBAYNNL-UHFFFAOYSA-M,,,,,,,,,,,
100.030.822,233-918-7,10435-44-6,Dibutylammonium bromide,N-butylbutan-1-aminium bromide,[Br-].CCCC[NH2+]CCCC,[Br-].CCCC[NH2+]CCCC,"InChI=1/C8H19N.BrH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H",C8H19N.BrH,,,,,,YCGYSDWVARRPFG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.827,233-923-4,10441-41-5,1-(6-hydroxy-2-naphthyl)ethan-1-one,1-(6-hydroxy-2-naphthyl)ethanone,CC(=O)c1ccc2cc(O)ccc2c1,CC(=O)c1ccc2cc(O)ccc2c1,"InChI=1/C12H10O2/c1-8(13)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-7,14H,1H3",C12H10O2,,,,,,IWRHUCBSLVVLJD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.833,233-930-2,10444-89-0,"2-amino-5-trifluoromethyl-1,3,4-thiadiazole","5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine",Nc1nnc(s1)C(F)(F)F,Nc1nnc(s1)C(F)(F)F,"InChI=1/C3H2F3N3S/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)",C3H2F3N3S,,,,,,LTEUXHSAYOSFGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.834,233-931-8,10448-09-6,Heptamethylphenylcyclotetrasiloxane,"2,2,4,4,6,6,8-heptamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)O1)c2ccccc2,C[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)O1)c2ccccc2,"InChI=1/C13H26O4Si4/c1-18(2)14-19(3,4)16-21(7,17-20(5,6)15-18)13-11-9-8-10-12-13/h8-12H,1-7H3",C13H26O4Si4,,,,,,NSLNFHKUIKHPGY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.849,233-948-0,10463-20-4,4-hydroxy-3-nitrophenylacetic acid,(4-hydroxy-3-nitrophenyl)acetic acid,OC(=O)Cc1ccc(O)c(c1)[N+](=O)[O-],OC(=O)Cc1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)",C8H7NO5,,,,,,QBHBHOSRLDPIHG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.856,233-955-9,10468-90-3,O-(4-hydroxyphenyl)-3-iodo-L-tyrosine,O-(4-hydroxyphenyl)-3-iodotyrosine,N[C@@H](Cc1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)O,N[C@@H](Cc1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)O,"InChI=1/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)",C15H14INO4,,,,,,SXQVOFSDWXYIRP-ZDUSSCGKSA-N,,,,,,,,,,,
100.030.858,233-958-5,10469-27-9,4-hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile,4-hydroxy-2-(2-hydroxyethyl)-2-phenylbutanenitrile,OCCC(CCO)(C#N)c1ccccc1,OCCC(CCO)(C#N)c1ccccc1,"InChI=1/C12H15NO2/c13-10-12(6-8-14,7-9-15)11-4-2-1-3-5-11/h1-5,14-15H,6-9H2",C12H15NO2,,,,,,UOZFONUAKNTHHC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.859,233-959-0,10471-14-4,1-ethoxy-1-methoxyethane,1-ethoxy-1-methoxyethane,CCOC(C)OC,CCOC(C)OC,"InChI=1/C5H12O2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3",C5H12O2,,,,,,MYCXIDKAJBXPCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.860,233-960-6,10471-28-0,Diethyl dodecanedioate,diethyl dodecanedioate,CCOC(=O)CCCCCCCCCCC(=O)OCC,CCOC(=O)CCCCCCCCCCC(=O)OCC,"InChI=1/C16H30O4/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2/h3-14H2,1-2H3",C16H30O4,,,,,,AFYNPRWLOKYLDU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.862,233-962-7,10472-24-9,Methyl 2-oxocyclopentanecarboxylate,methyl 2-oxocyclopentanecarboxylate,COC(=O)C1CCCC1=O,COC(=O)C1CCCC1=O,"InChI=1/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3",C7H10O3,,,,,,PZBBESSUKAHBHD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.869,233-970-0,10476-82-1,Strychnine arsenate,arsenic acid - strychnidin-10-one (1:1),O[As](=O)(O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,O[As](=O)(O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2.AsH3O4/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;2-1(3,4)5/h1-5,13,16-17,19-20H,6-11H2;(H3,2,3,4,5)",C21H22N2O2.AsH3O4,,,,,,OBRYEEFDCPWNGQ-ZEYGOCRCSA-N,,,,,,,,,,,
100.031.894,235-097-0,12068-38-1,Aluminium potassium disilicate,aluminium potassium disilicate,[Al+3].[K+].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Al+3].[K+].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/Al.K.2O3Si/c;;2*1-4(2)3/q+3;+1;2*-2,Al.2H2O3Si.K,,,,,,SXQXMCWCWVCFPC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.283,242-128-1,18254-13-2,"2,4,6-tris(1-phenylethyl)phenol","2,4,6-tris(1-phenylethyl)phenol",CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(O)c(c2)C(C)c4ccccc4,CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(O)c(c2)C(C)c4ccccc4,"InChI=1/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3",C30H30O,,,,,,BYLSIPUARIZAHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.153,237-583-8,13847-22-8,"Phosphoric acid, zinc salt",zinc hydrogen phosphate,[Zn+2].OP(=O)([O-])[O-],[Zn+2].OP(=O)([O-])[O-],"InChI=1/H3O4P.Zn/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+2/p-2",H3O4P.xZn,,,,,,LKCUKVWRIAZXDU-UHFFFAOYSA-L,,,,,,,,,,,
100.034.161,237-592-7,13856-86-5,4-chloro-a-propylbenzyl alcohol,1-(4-chlorophenyl)butan-1-ol,CCCC(O)c1ccc(Cl)cc1,CCCC(O)c1ccc(Cl)cc1,"InChI=1/C10H13ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3",C10H13ClO,,,,,,HAELFEDVTLKJMU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.167,237-599-5,13861-22-8,Prop-2-ynyl methacrylate,prop-2-yn-1-yl methacrylate,CC(=C)C(=O)OCC#C,CC(=C)C(=O)OCC#C,"InChI=1/C7H8O2/c1-4-5-9-7(8)6(2)3/h1H,2,5H2,3H3",C7H8O2,,,,,,PZAWASVJOPLHCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.169,237-601-4,13863-41-7,Bromine chloride,-,ClBr,ClBr,InChI=1/BrCl/c1-2,BrCl,,,,,,CODNYICXDISAEA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.171,237-604-0,13863-48-4,Terbium phosphate,terbium(3+) phosphate,[Tb+3].[O-]P(=O)([O-])[O-],[Tb+3].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Tb/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",H3O4P.Tb,,,,,,QQCIBICIISNSAY-UHFFFAOYSA-K,,,,,,,,,,,
100.034.186,237-620-8,13870-02-5,Neodymium(3+) silicate(3:4),neodymium(3+) silicate(3:4),[Nd+3].[Nd+3].[Nd+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Nd+3].[Nd+3].[Nd+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/3Nd.4O3Si/c;;;4*1-4(2)3/q3*+3;4*-2,H4O4Si.4/3Nd,,,,,,MNIDXNYJMALGRD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.187,237-621-3,13870-19-4,Lanthanum triiodate,lanthanum triiodate,[La+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[La+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.La/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",HIO3.1/3La,,,,,,BULVJAIIOVREOT-UHFFFAOYSA-K,,,,,,,,,,,
100.034.196,237-631-8,13874-75-4,Samarium dichloride,samarium(2+) dichloride,[Cl-].[Cl-].[Sm+2],[Cl-].[Cl-].[Sm+2],InChI=1/2ClH.Sm/h2*1H;/q;;+2/p-2,Cl2Sm,,,,,,VPRJMFJPKMESHB-UHFFFAOYSA-L,,,,,,,,,,,
100.034.200,237-636-5,13876-97-6,Sodium trifluorohydroxyborate(1-),sodium trifluoro(hydroxy)borate(1-),[Na+].O[B-](F)(F)F,[Na+].O[B-](F)(F)F,"InChI=1/BF3HO.Na/c2-1(3,4)5;/h5H;/q-1;+1",BF3HO.Na,,,,,,DIJCMCVUMBUDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.130,240-860-6,16837-38-0,Nicotinic anhydride,nicotinic anhydride,O=C(OC(=O)c1cccnc1)c2cccnc2,O=C(OC(=O)c1cccnc1)c2cccnc2,InChI=1/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H,C12H8N2O3,,,,,,VPODXHOUBDCEHN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.131,240-861-1,16837-39-1,Pyridine-2-carboxylic anhydride,pyridine-2-carboxylic anhydride,O=C(OC(=O)c1ccccn1)c2ccccn2,O=C(OC(=O)c1ccccn1)c2ccccn2,InChI=1/C12H8N2O3/c15-11(9-5-1-3-7-13-9)17-12(16)10-6-2-4-8-14-10/h1-8H,C12H8N2O3,,,,,,QAZOKVGARKDTKF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.139,240-870-0,16846-10-9,"Methyl 2,6-dihydroxy-p-toluate","methyl 2,6-dihydroxy-4-methylbenzoate",COC(=O)c1c(O)cc(C)cc1O,COC(=O)c1c(O)cc(C)cc1O,"InChI=1/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H3",C9H10O4,,,,,,RIJMQNGJNNAAQK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.152,240-884-7,16862-11-6,Quinolin-8-ol hydrochloride,quinolin-8-ol hydrochloride,Cl.Oc1cccc2cccnc12,Cl.Oc1cccc2cccnc12,"InChI=1/C9H7NO.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;1H",C9H7NO.ClH,,,,,,GXBJNMSTHMBPPE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.153,240-885-2,16863-61-9,"2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene","2-hexa-2,4-diyn-1-ylidene-1,6-dioxaspiro[4.4]non-3-ene",CC#CC#CC=C1\\C=C/C2(O1)CCCO2,CC#CC#CC=C1\C=C/C2(O1)CCCO2,"InChI=1/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3",C13H12O2,,,,,,WTRXKCNFPMTAJV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.158,240-891-5,16868-14-7,Cyclopentyl methacrylate,cyclopentyl methacrylate,CC(=C)C(=O)OC1CCCC1,CC(=C)C(=O)OC1CCCC1,"InChI=1/C9H14O2/c1-7(2)9(10)11-8-5-3-4-6-8/h8H,1,3-6H2,2H3",C9H14O2,,,,,,WRAABIJFUKKEJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.160,240-893-6,16871-60-6,Dipotassium hexachloroosmate,dipotassium hexachloroosmate(2-),[K+].[K+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2K.Os/h6*1H;;;/q;;;;;;2*+1;+6/p-6/rCl6Os.2K/c1-7(2,3,4,5)6;;/q;2*+1",Cl6Os.2K,,,,,,VGKQJCSDERXWRV-UHFFFAOYSA-H,,,,,,,,,,,
100.037.172,240-906-5,16874-72-9,"4-(hydroxymethyl)oxazolidine-2,5-dione","4-(hydroxymethyl)-1,3-oxazolidine-2,5-dione",OCC1NC(=O)OC1=O,OCC1NC(=O)OC1=O,"InChI=1/C4H5NO4/c6-1-2-3(7)9-4(8)5-2/h2,6H,1H2,(H,5,8)",C4H5NO4,,,,,,KVUIJQRUDVLWAI-UHFFFAOYSA-N,,,,,,,,,,,
100.044.862,249-363-9,28997-77-5,Methyldioctadecylsulphonium methyl sulphate,methyl(dioctadecyl)sulfonium methyl sulfate,CCCCCCCCCCCCCCCCCC[S+](C)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[S+](C)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C37H77S.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C37H77S.CH3O4S,,,,,,YATGAWSIOSIDAB-UHFFFAOYSA-M,,,,,,,,,,,
100.044.864,249-366-5,29006-02-8,4-methoxybutyric acid,4-methoxybutanoic acid,COCCCC(=O)O,COCCCC(=O)O,"InChI=1/C5H10O3/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)",C5H10O3,,,,,,VRRCYIFZBSJBAT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.865,249-367-0,29011-62-9,Dimethylvinylpyridine,2-(1-methylprop-1-en-1-yl)pyridine,C\\C=C(/C)\\c1ccccn1,C\C=C(/C)\c1ccccn1,"InChI=1/C9H11N/c1-3-8(2)9-6-4-5-7-10-9/h3-7H,1-2H3",C9H11N,,,,,,DZSTWBUQYOAZRZ-FPYGCLRLSA-N,,,,,,,,,,,
100.044.869,249-371-2,29021-36-1,"(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl acetate","(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl acetate",CC(=O)OCC1CCC2CC1C2(C)C,CC(=O)OCC1CCC2CC1C2(C)C,"InChI=1/C12H20O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h9-11H,4-7H2,1-3H3",C12H20O2,,,,,,UWHRPSXEBAXLDR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.946,246-157-0,24317-94-0,Ethyl 2-acetylheptanoate,ethyl 2-acetylheptanoate,CCCCCC(C(=O)C)C(=O)OCC,CCCCCC(C(=O)C)C(=O)OCC,"InChI=1/C11H20O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3",C11H20O3,,,,,,XIGZBCUFFUBWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.953,246-164-9,24323-25-9,2-methylundecanoic acid,2-methylundecanoic acid,CCCCCCCCCC(C)C(=O)O,CCCCCCCCCC(C)C(=O)O,"InChI=1/C12H24O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)",C12H24O2,,,,,,PFFITEZSYJIHHR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.954,246-165-4,24323-31-7,2-methyltridecanoic acid,2-methyltridecanoic acid,CCCCCCCCCCCC(C)C(=O)O,CCCCCCCCCCCC(C)C(=O)O,"InChI=1/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13(2)14(15)16/h13H,3-12H2,1-2H3,(H,15,16)",C14H28O2,,,,,,FZUUHEZQCQGYNX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.958,246-170-1,24325-95-9,(E)-2-bromo-2-butenenitrile,2-bromobut-2-enenitrile,C\\C=C(\\Br)/C#N,C\C=C(\Br)/C#N,"InChI=1/C4H4BrN/c1-2-4(5)3-6/h2H,1H3",C4H4BrN,,,,,,WOUZQGAYHWFJNF-DUXPYHPUSA-N,,,,,,,,,,,
100.041.962,246-174-3,24331-94-0,"1,4-dihydro-2H-isoquinolin-3-one","1,4-dihydroisoquinolin-3(2H)-one",O=C1Cc2ccccc2CN1,O=C1Cc2ccccc2CN1,"InChI=1/C9H9NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-4H,5-6H2,(H,10,11)",C9H9NO,,,,,,MGZGPQCRWVOGFE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.970,246-183-2,24345-60-6,Cadmium methacrylate,cadmium bis(2-methylacrylate),[Cd+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Cd+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Cd/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Cd,,,,,,ZQHSKJWQHAFJFT-UHFFFAOYSA-L,,,,,,,,,,,
100.041.974,246-187-4,24348-06-9,"[1R-(1a,4ß,6a)]-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",CC1(C)C2CC(=O)C(C)(O)CC12,CC1(C)C2CC(=O)C(C)(O)CC12,"InChI=1/C10H16O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-7,12H,4-5H2,1-3H3",C10H16O2,,,,,,ZPUQSQULULBFIN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.979,246-193-7,24355-93-9,"1,1'-(3,5-xylylimino)dipropan-2-ol","1,1'-[(3,5-dimethylphenyl)imino]dipropan-2-ol",CC(O)CN(CC(C)O)c1cc(C)cc(C)c1,CC(O)CN(CC(C)O)c1cc(C)cc(C)c1,"InChI=1/C14H23NO2/c1-10-5-11(2)7-14(6-10)15(8-12(3)16)9-13(4)17/h5-7,12-13,16-17H,8-9H2,1-4H3",C14H23NO2,,,,,,PARPOEDUBHSEJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.981,246-195-8,24356-94-3,"(R)-16a,17-[(1-phenylethylidene)dioxy]pregn-4-ene-3,20-dione","6b-acetyl-4a,6a,8-trimethyl-8-phenyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",CC(=O)[C@@]12O[C@@](C)(O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)c6ccccc6,CC(=O)[C@@]12O[C@@](C)(O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)c6ccccc6,"InChI=1/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3",C29H36O4,,,,,,AHBKIEXBQNRDNL-FVCOMRFXSA-N,,,,,,,,,,,
100.041.982,246-196-3,24357-97-9,Ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride,Cl.CCOC(=O)C1(CCC=CC1N(C)C)c2ccccc2,Cl.CCOC(=O)C1(CCC=CC1N(C)C)c2ccccc2,"InChI=1/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H",C17H23NO2.ClH,,,,,,MUWDJVKYGSDUSH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.983,246-197-9,24358-20-1,Endo-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide,3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide,[Br-].CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,[Br-].CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,"InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1",C20H30NO3.Br,,,,,,LHLMOSXCXGLMMN-WDTICOSOSA-M,,,,,,,,,,,
100.035.769,239-363-7,15333-24-1,Disodium tetracyanozincate,disodium tetrakis(cyano-kappaC)zincate(2-),[Na+].[Na+].N#C[Zn-2](C#N)(C#N)C#N,[Na+].[Na+].N#C[Zn-2](C#N)(C#N)C#N,"InChI=1/4CN.2Na.Zn/c4*1-2;;;/q;;;;2*+1;-2/rC4N4Zn.2Na/c5-1-9(2-6,3-7)4-8;;/q-2;2*+1",C4N4Zn.2Na,,,,,,WCYJKEKOMSGDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.770,239-364-2,15336-18-2,Triammonium hexachlororhodate,triammonium hexachlororhodate,[NH4+].[NH4+].[NH4+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].[NH4+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/18ClH.3H3N.3Rh/h18*1H;3*1H3;;;/q;;;;;;;;;;;;;;;;;;;;;3*+6/p-15/r3Cl6Rh.3H3N/c3*1-7(2,3,4,5)6;;;/h;;;3*1H3/p+3",Cl6Rh.3H4N,,,,,,BVANUZCBLKOYQI-UHFFFAOYSA-A,,,,,,,,,,,
100.035.772,239-366-3,15336-82-0,"5-ethyl-5-methyl-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione","5-ethyl-5-methyl-1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione",CCC1(C)N(CC2CO2)C(=O)N(CC3CO3)C1=O,CCC1(C)N(CC2CO2)C(=O)N(CC3CO3)C1=O,"InChI=1/C12H18N2O4/c1-3-12(2)10(15)13(4-8-6-17-8)11(16)14(12)5-9-7-18-9/h8-9H,3-7H2,1-2H3",C12H18N2O4,,,,,,JBBURRWEMSTGIX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.780,239-375-2,15340-96-2,"3,7-dimethyloctan-2-ol","3,7-dimethyloctan-2-ol",CC(C)CCCC(C)C(C)O,CC(C)CCCC(C)C(C)O,"InChI=1/C10H22O/c1-8(2)6-5-7-9(3)10(4)11/h8-11H,5-7H2,1-4H3",C10H22O,,,,,,XCWMPEYBKUYTLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.782,239-377-3,15347-52-1,"5-[(2,4-dinitrophenyl)amino]-2-anilinobenzenesulphonic acid","2-anilino-5-[(2,4-dinitrophenyl)amino]benzenesulfonic acid",OS(=O)(=O)c1cc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])ccc1Nc3ccccc3,OS(=O)(=O)c1cc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])ccc1Nc3ccccc3,"InChI=1/C18H14N4O7S/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12/h1-11,19-20H,(H,27,28,29)",C18H14N4O7S,,,,,,OMOSYYVYEGXVHK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.784,239-379-4,15347-57-6,Lead acetate,lead(4+) tetraacetate,[Pb].CC(O)=O,[Pb].CC(O)=O,"InChI=1/C2H4O2.Pb.2H/c1-2(3)4;;;/h1H3,(H,3,4);;;/q;+4;;/rC2H4O2.H2Pb/c1-2(3)4;/h1H3,(H,3,4);1H2/q;+4",C2H4O2.xPb,,,,,,PNZVFASWDSMJER-UHFFFAOYSA-N,,,,,,,,,,,
100.035.789,239-385-7,15351-13-0,Nicofuranose,"1,3,4,6-tetrakis-O-(pyridin-3-ylcarbonyl)-beta-D-fructofuranose",O[C@]1(COC(=O)c2cccnc2)O[C@H](COC(=O)c3cccnc3)[C@@H](OC(=O)c4cccnc4)[C@@H]1OC(=O)c5cccnc5,O[C@]1(COC(=O)c2cccnc2)O[C@H](COC(=O)c3cccnc3)[C@@H](OC(=O)c4cccnc4)[C@@H]1OC(=O)c5cccnc5,"InChI=1/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2",C30H24N4O10,,,,,,FUWFSXZKBMCSKF-ZASNTINBSA-N,,,,,,,,,,,
100.035.794,239-390-4,15356-74-8,"5,6,7,7a-tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one","4,4,7a-trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one",CC1(C)CCCC2(C)OC(=O)C=C12,CC1(C)CCCC2(C)OC(=O)C=C12,"InChI=1/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3",C11H16O2,,,,,,IMKHDCBNRDRUEB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.797,239-394-6,15358-88-0,"(1a,2ß,5a)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one","2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",C[C@@H]1[C@@H]2C[C@H](CC1=O)C2(C)C,C[C@@H]1[C@@H]2C[C@H](CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,MQPHVIPKLRXGDJ-PRJMDXOYSA-N,,,,,,,,,,,
100.035.798,239-395-1,15358-91-5,"(1a,2a,5a)-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol","(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methanol",CC1(C)[C@H]2CC[C@@H](CO)[C@@H]1C2,CC1(C)[C@H]2CC[C@@H](CO)[C@@H]1C2,"InChI=1/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,LDWAIHWGMRVEFR-CIUDSAMLSA-N,,,,,,,,,,,
100.035.799,239-396-7,15358-92-6,"(1a,2ß,5a)-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol","(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methanol",CC1(C)[C@H]2CC[C@H](CO)[C@@H]1C2,CC1(C)[C@H]2CC[C@H](CO)[C@@H]1C2,"InChI=1/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,LDWAIHWGMRVEFR-VGMNWLOBSA-N,,,,,,,,,,,
100.037.224,240-963-6,16915-70-1,Nifursol,"2-hydroxy-3,5-dinitro-N'-[(5-nitro-2-furyl)methylene]benzohydrazide",O=[N+]([O-])c2ccc(C=NNC(=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O)o2,O=[N+]([O-])c2ccc(C=NNC(=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O)o2,"InChI=1/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)",C12H7N5O9,,,,,,XXUXXCZCUGIGPP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.225,240-964-1,16915-71-2,Cingestol,17-ethynylestr-5-en-17-ol,C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,8,15-18,21H,4-7,9-13H2,2H3",C20H28O,,,,,,HSYWFJBHXIUUCZ-XGXHKTLJSA-N,,,,,,,,,,,
100.037.235,240-975-1,16920-45-9,"Carbonic acid, silver salt",silver(1+) hydrogen carbonate,[Ag+].OC(=O)[O-],[Ag+].OC(=O)[O-],"InChI=1/CH2O3.Ag/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",CH2O3.xAg,,,,,,XHXKMTAWMZESFU-UHFFFAOYSA-M,,,,,,,,,,,
100.031.895,235-098-6,12068-40-5,Aluminium lithium silicate,-,[Li+].[Al+3].[O-][Si](=O)[O-],[Li+].[Al+3].[O-][Si](=O)[O-],InChI=1/Al.Li.O3Si/c;;1-4(2)3/q+3;+1;-2,Al.2H2O3Si.Li,,,,,,VZXZMDAYEZGCOG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.918,235-123-0,12070-12-1,Tungsten carbide,methylidynetungsten,[W]#[C],[W]#[C],InChI=1/C.W/rCW/c1-2,CW,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15382,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.918,MEOSMFUUJVIIKB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.218,249-756-5,29657-33-8,(tert-dodecylthio)acetic acid,"[(1,1,2,3,3,4,4-heptamethylpentyl)sulfanyl]acetic acid",CC(C(C)(C)SCC(=O)O)C(C)(C)C(C)(C)C,CC(C(C)(C)SCC(=O)O)C(C)(C)C(C)(C)C,"InChI=1/C14H28O2S/c1-10(13(5,6)12(2,3)4)14(7,8)17-9-11(15)16/h10H,9H2,1-8H3,(H,15,16)",C14H28O2S,,,,,,LNRGMECDIPGOEV-UHFFFAOYSA-N,,,,,,,,,,,
100.045.227,249-765-4,29671-92-9,Chloroformamidinium chloride,carbamimidic chloride,NC(=N)Cl,NC(=N)Cl,"InChI=1/CH3ClN2/c2-1(3)4/h(H3,3,4)",CH3ClN2.ClH,,,,,,RYTLGWCJESCDMY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.231,249-770-1,29679-58-1,2-(3-phenoxyphenyl)propionic acid,2-(3-phenoxyphenyl)propanoic acid,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,"InChI=1/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)",C15H14O3,,,,,,RDJGLLICXDHJDY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.232,249-771-7,29680-41-9,"1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, sodium salt",-,[Na+].ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,[Na+].ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,InChI=1/C3Cl3N3O3.Na/c4-7-1(10)8(5)3(12)9(6)2(7)11;/q;+1,C3Cl3N3O3.xNa,,,,,,XSXSKSKONCDOMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.240,249-780-6,29684-42-2,5-chloro-2-methoxybenzenediazonium,5-chloro-2-methoxybenzenediazonium,COc1ccc(Cl)cc1[N+]#N,COc1ccc(Cl)cc1[N+]#N,"InChI=1/C7H6ClN2O/c1-11-7-3-2-5(8)4-6(7)10-9/h2-4H,1H3/q+1",C7H6ClN2O,,,,,,VPBQZZUDIGHCEB-UHFFFAOYSA-N,,,,,,,,,,,
100.045.248,249-789-5,29706-46-5,"2,5-diamino-1,8-dihydroxyanthraquinone","2,5-diamino-1,8-dihydroxy-9,10-anthraquinone",Nc1ccc2C(=O)c3c(N)ccc(O)c3C(=O)c2c1O,Nc1ccc2C(=O)c3c(N)ccc(O)c3C(=O)c2c1O,"InChI=1/C14H10N2O4/c15-6-3-4-8(17)11-10(6)12(18)5-1-2-7(16)13(19)9(5)14(11)20/h1-4,17,19H,15-16H2",C14H10N2O4,,,,,,KKIZIJGDUTUFQL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.003,245-120-6,22609-73-0,Niludipine,"bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CCCOCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N(=O)=O)C(=O)OCCOCCC)C,CCCOCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N(=O)=O)C(=O)OCCOCCC)C,"InChI=1/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3",C25H34N2O8,,,,,,VZWXXKDFACOXNT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.012,245-130-0,22618-50-4,m-cyclohexen-1-yltoluene,1-cyclohex-1-en-1-yl-3-methylbenzene,Cc1cccc(c1)C2=CCCCC2,Cc1cccc(c1)C2=CCCCC2,"InChI=1/C13H16/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h5-7,9-10H,2-4,8H2,1H3",C13H16,,,,,,WDIJGRJAKSMZRV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.013,245-131-6,22618-51-5,Cyclohexen-1-yltoluene,1-cyclohex-1-en-1-yl-2-methylbenzene,Cc1ccccc1C2=CCCCC2,Cc1ccccc1C2=CCCCC2,"InChI=1/C13H16/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h5-8,10H,2-4,9H2,1H3",C13H16,,,,,,CVNBWDMYHUGFDG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.370,238-923-8,14857-97-7,3-(methoxydimethylsilyl)propanethiol,3-[methoxy(dimethyl)silyl]propane-1-thiol,CO[Si](C)(C)CCCS,CO[Si](C)(C)CCCS,"InChI=1/C6H16OSSi/c1-7-9(2,3)6-4-5-8/h8H,4-6H2,1-3H3",C6H16OSSi,,,,,,DQMRXALBJIVORP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.371,238-924-3,14858-55-0,Sodium 2-(2-hexadecyloxyethoxy)ethyl sulphate,sodium 2-[2-(hexadecyloxy)ethoxy]ethyl sulfate,[Na+].CCCCCCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C20H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-18-25-19-20-26-27(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1",C20H42O6S.Na,,,,,,PVFDZFXVVPTVAO-UHFFFAOYSA-M,,,,,,,,,,,
100.037.002,240-718-3,16672-87-0,2-chloroethylphosphonic acid,(2-chloroethyl)phosphonic acid,OP(=O)(O)CCCl,OP(=O)(O)CCCl,"InChI=1/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)",C2H6ClO3P,,,,,,UDPGUMQDCGORJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.011,240-728-8,16680-48-1,"Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt",-,[Na+].C[C@]12CCc3c(ccc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O,[Na+].C[C@]12CCc3c(ccc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O,"InChI=1/C18H18O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h2-5,10,16H,6-9H2,1H3,(H,20,21,22);/q;+1",C18H18O5S.Na,,,,,,QMLVWIVCALQEEX-AKXYIILFSA-N,,,,,,,,,,,
100.037.012,240-729-3,16682-12-5,"D-(-)-2,5-diaminopentanoic acid",ornithine,NCCCC(N)C(=O)O,NCCCC(N)C(=O)O,"InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",C5H12N2O2.ClH,,,,,,AHLPHDHHMVZTML-UHFFFAOYSA-N,,,,,,,,,,,
100.037.173,240-907-0,16874-73-0,"(R*,S*)-4-(1-hydroxyethyl)oxazolidine-2,5-dione","4-(1-hydroxyethyl)-1,3-oxazolidine-2,5-dione",CC(O)C1NC(=O)OC1=O,CC(O)C1NC(=O)OC1=O,"InChI=1/C5H7NO4/c1-2(7)3-4(8)10-5(9)6-3/h2-3,7H,1H3,(H,6,9)",C5H7NO4,,,,,,HUKWNEDRRBXWKG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.528,237-996-3,14153-04-9,Tetrahydro-5-hydroxyfuran-2-methanol,5-(hydroxymethyl)tetrahydrofuran-2-ol,OCC1CCC(O)O1,OCC1CCC(O)O1,"InChI=1/C5H10O3/c6-3-4-1-2-5(7)8-4/h4-7H,1-3H2",C5H10O3,,,,,,DBSOIXXDPKIKML-UHFFFAOYSA-N,,,,,,,,,,,
100.034.534,238-004-1,14160-71-5,5-ethoxysalicylic acid,5-ethoxy-2-hydroxybenzoic acid,CCOc1ccc(O)c(c1)C(=O)O,CCOc1ccc(O)c(c1)C(=O)O,"InChI=1/C9H10O4/c1-2-13-6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)",C9H10O4,,,,,,ZZKFPIOJAOEMQL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.539,238-009-9,14166-21-3,"trans-cyclohexane-1,2-dicarboxylic anhydride","2,2'-(oxydicarbonyl)dicyclohexanecarboxylic acid",OC(=O)[C@@H]1CCCC[C@H]1C(=O)OC(=O)[C@H]2CCCC[C@@H]2C(=O)O,OC(=O)[C@@H]1CCCC[C@H]1C(=O)OC(=O)[C@H]2CCCC[C@@H]2C(=O)O,"InChI=1/C16H22O7/c17-13(18)9-5-1-3-7-11(9)15(21)23-16(22)12-8-4-2-6-10(12)14(19)20/h9-12H,1-8H2,(H,17,18)(H,19,20)",C8H10O3,,,,,,BHUJRLVPGNPDNJ-BKUVIOGVSA-N,,,,,,,,,,,
100.034.563,238-036-6,14180-18-8,"N,N-dibutylphenethylamine hydrochloride",N-butyl-N-(2-phenylethyl)butan-1-amine hydrochloride,Cl.CCCCN(CCCC)CCc1ccccc1,Cl.CCCCN(CCCC)CCc1ccccc1,"InChI=1/C16H27N.ClH/c1-3-5-13-17(14-6-4-2)15-12-16-10-8-7-9-11-16;/h7-11H,3-6,12-15H2,1-2H3;1H",C16H27N.ClH,,,,,,OAUFZDJROJSXGE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.569,238-042-9,14189-85-6,2-methoxy-3-methylcyclopent-2-en-1-one,2-methoxy-3-methylcyclopent-2-en-1-one,COC1=C(C)CCC1=O,COC1=C(C)CCC1=O,"InChI=1/C7H10O2/c1-5-3-4-6(8)7(5)9-2/h3-4H2,1-2H3",C7H10O2,,,,,,GTEGQQAMGYNDKS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.571,238-045-5,14191-92-5,17-ßhydroxyandrost-4-en-3-one hexahydrobenzoate,3-oxoandrost-4-en-17-yl cyclohexanecarboxylate,CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)C5CCCCC5,CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)C5CCCCC5,"InChI=1/C26H38O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h16-17,20-23H,3-15H2,1-2H3",C26H38O3,,,,,,YKNXICSCSYLTHK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.573,238-047-6,14193-38-5,"trans-1,2-dithiane-4,5-diol","1,2-dithiane-4,5-diol",O[C@H]1CSSC[C@@H]1O,O[C@H]1CSSC[C@@H]1O,"InChI=1/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2",C4H8O2S2,,,,,,YPGMOWHXEQDBBV-IMJSIDKUSA-N,,,,,,,,,,,
100.038.289,242-134-4,18262-04-9,2-(diethylamino)-1-methylethyl methacrylate,2-(diethylamino)-1-methylethyl methacrylate,CCN(CC)CC(C)OC(=O)C(=C)C,CCN(CC)CC(C)OC(=O)C(=C)C,"InChI=1/C11H21NO2/c1-6-12(7-2)8-10(5)14-11(13)9(3)4/h10H,3,6-8H2,1-2,4-5H3",C11H21NO2,,,,,,SBLANOOCNKHOSM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.293,242-139-1,18264-75-0,N-nitrocarbazamidine,N-nitrohydrazinecarboximidamide,NNC(=N)N[N+](=O)[O-],NNC(=N)N[N+](=O)[O-],"InChI=1/CH5N5O2/c2-1(4-3)5-6(7)8/h3H2,(H3,2,4,5)",CH5N5O2,,,,,,LWPLPMSGDZDOLW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.300,242-147-5,18267-36-2,Ethyl 3-hydroxy-3-methylbutyrate,ethyl 3-hydroxy-3-methylbutanoate,CCOC(=O)CC(C)(C)O,CCOC(=O)CC(C)(C)O,"InChI=1/C7H14O3/c1-4-10-6(8)5-7(2,3)9/h9H,4-5H2,1-3H3",C7H14O3,,,,,,HKEDUIGHSRRIKD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.301,242-148-0,18268-54-7,4-[(2-hydroxy-1-naphthyl)azo]naphthalenesulphonic acid,4-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)c4ccc(N=Nc1c2ccccc2ccc1O)c3ccccc34,OS(=O)(=O)c4ccc(N=Nc1c2ccccc2ccc1O)c3ccccc34,"InChI=1/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)",C20H14N2O4S,,,,,,JSAKRLDIZOGQTN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.303,242-150-1,18269-81-3,Diacetoxydiethylsilane,diethylsilanediyl diacetate,CC[Si](CC)(OC(=O)C)OC(=O)C,CC[Si](CC)(OC(=O)C)OC(=O)C,"InChI=1/C8H16O4Si/c1-5-13(6-2,11-7(3)9)12-8(4)10/h5-6H2,1-4H3",C8H16O4Si,,,,,,JQNJIBYLKBOSCM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.304,242-151-7,18271-22-2,N-2-naphthylbenzamide,N-2-naphthylbenzamide,O=C(Nc1ccc2ccccc2c1)c3ccccc3,O=C(Nc1ccc2ccccc2c1)c3ccccc3,"InChI=1/C17H13NO/c19-17(14-7-2-1-3-8-14)18-16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,(H,18,19)",C17H13NO,,,,,,PBVHCWSPPOGLNA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.305,242-152-2,18271-82-4,"2,2,2-trichloro-1-methoxyethanol","2,2,2-trichloro-1-methoxyethanol",COC(O)C(Cl)(Cl)Cl,COC(O)C(Cl)(Cl)Cl,"InChI=1/C3H5Cl3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3",C3H5Cl3O2,,,,,,LVMUSFXOLZJHFU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.316,242-164-8,18291-67-3,"Dichloro(1,4,5,6,7,7-hexachloro-5-norbornen-2-yl)methylsilane","[dichloro(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl]silane",[SiH3]C(Cl)(Cl)C1CC2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,[SiH3]C(Cl)(Cl)C1CC2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1/C8H6Cl8Si/c9-3-4(10)6(12)2(7(13,14)17)1-5(3,11)8(6,15)16/h2H,1H2,17H3",C8H6Cl8Si,,,,,,PAWOGDFYAGUFBL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.317,242-165-3,18291-80-0,Trimethylsilyl bromoacetate,trimethylsilyl bromoacetate,C[Si](C)(C)OC(=O)CBr,C[Si](C)(C)OC(=O)CBr,"InChI=1/C5H11BrO2Si/c1-9(2,3)8-5(7)4-6/h4H2,1-3H3",C5H11BrO2Si,,,,,,ZCHHFMWUDHXPFN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.986,246-201-9,24358-65-4,"(3,3-diphenylpropyl)diisopropylammonium chloride","N,N-diisopropyl-3,3-diphenylpropan-1-aminium chloride",[Cl-].CC(C)[NH+](CCC(c1ccccc1)c2ccccc2)C(C)C,[Cl-].CC(C)[NH+](CCC(c1ccccc1)c2ccccc2)C(C)C,"InChI=1/C21H29N.ClH/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,17-18,21H,15-16H2,1-4H3;1H",C21H29N.ClH,,,,,,ZYMHFUWAJIWDKD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.588,245-763-2,23593-08-0,"2-[(4-chloro-1-naphthyl)methyl]-4,5-dihydroimidazolium chloride","2-[(4-chloro-1-naphthyl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].Clc1ccc(CC2=NCC[NH2+]2)c3ccccc13,[Cl-].Clc1ccc(CC2=NCC[NH2+]2)c3ccccc13,"InChI=1/C14H13ClN2.ClH/c15-13-6-5-10(9-14-16-7-8-17-14)11-3-1-2-4-12(11)13;/h1-6H,7-9H2,(H,16,17);1H",C14H13ClN2.ClH,,,,,,JOJMOKBPTKPWER-UHFFFAOYSA-N,,,,,,,,,,,
100.041.592,245-767-4,23597-82-2,Hexyl nicotinate,hexyl nicotinate,CCCCCCOC(=O)c1cccnc1,CCCCCCOC(=O)c1cccnc1,"InChI=1/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3",C12H17NO2,,,,,,RVYGVBZGSFLJKH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.596,245-772-1,23600-77-3,p-bromophenyl propionate,4-bromophenyl propionate,CCC(=O)Oc1ccc(Br)cc1,CCC(=O)Oc1ccc(Br)cc1,"InChI=1/C9H9BrO2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3",C9H9BrO2,,,,,,JPUYGYIPZTYGTI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.603,245-780-5,23604-21-9,Octadecylguanidine monohydrochloride,1-octadecylguanidine hydrochloride,Cl.CCCCCCCCCCCCCCCCCCNC(=N)N,Cl.CCCCCCCCCCCCCCCCCCNC(=N)N,"InChI=1/C19H41N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H4,20,21,22);1H",C19H41N3.ClH,,,,,,WPUFMGPAQNCUGT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.604,245-781-0,23605-74-5,"[hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonic acid","{hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonic acid)",OP(=O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)",C10H28N2O12P4,,,,,,KIDJHPQACZGFTI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.608,245-785-2,23613-02-7,"4-(diethylamino)-6-(ethylamino)-1,3,5-triazine-2(1H)-thione","4-(diethylamino)-6-(ethylamino)-1,3,5-triazine-2(1H)-thione",CCNC1=NC(=NC(=S)N1)N(CC)CC,CCNC1=NC(=NC(=S)N1)N(CC)CC,"InChI=1/C9H17N5S/c1-4-10-7-11-8(13-9(15)12-7)14(5-2)6-3/h4-6H2,1-3H3,(H2,10,11,12,13,15)",C9H17N5S,,,,,,GOUKSYJATNOEID-UHFFFAOYSA-N,,,,,,,,,,,
100.041.613,245-791-5,23622-54-0,"5-(acetylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid","5-acetamido-4-hydroxy-3-[(4-methoxy-3-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonic acid",COc1ccc(cc1S(=O)(=O)CCOS(O)(=O)=O)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S(O)(=O)=O)S(O)(=O)=O,COc1ccc(cc1S(=O)(=O)CCOS(O)(=O)=O)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C21H21N3O15S4/c1-11(25)22-15-10-14(41(29,30)31)7-12-8-18(42(32,33)34)20(21(26)19(12)15)24-23-13-3-4-16(38-2)17(9-13)40(27,28)6-5-39-43(35,36)37/h3-4,7-10,26H,5-6H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37)",C21H21N3O15S4,,,,,,VZLZQCMLVISMIY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.614,245-792-0,23622-57-3,Ethyl 5-oxo-1-phenyl-4-[[p-(phenylcarbamoyl)phenyl]azo]-2-pyrazoline-3-carboxylate,"ethyl 5-oxo-1-phenyl-4-{[4-(phenylcarbamoyl)phenyl]diazenyl}-4,5-dihydro-1H-pyrazole-3-carboxylate",CCOC(=O)C/4=N/N(c1ccccc1)C(=O)C\\4N=Nc2ccc(cc2)C(=O)Nc3ccccc3,CCOC(=O)C/4=N/N(c1ccccc1)C(=O)C\4N=Nc2ccc(cc2)C(=O)Nc3ccccc3,"InChI=1/C25H21N5O4/c1-2-34-25(33)22-21(24(32)30(29-22)20-11-7-4-8-12-20)28-27-19-15-13-17(14-16-19)23(31)26-18-9-5-3-6-10-18/h3-16,21H,2H2,1H3,(H,26,31)",C25H21N5O4,,,,,,BOEYUOOSUXSRCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.618,245-796-2,23632-70-4,"4-tert-butyl hydrogen N-[(benzyloxy)carbonyl]-L-aspartate, compound with dicyclohexylamine (1:1)",2-{[(benzyloxy)carbonyl]amino}-4-tert-butoxy-4-oxobutanoic acid - N-cyclohexylcyclohexanamine (1:1) (non-preferred name),CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C16H21NO6.C12H23N/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);11-13H,1-10H2",C16H21NO6.C12H23N,,,,,,JEGXFHMMFLKBBW-YDALLXLXSA-N,,,,,,,,,,,
100.045.334,249-884-1,29826-51-5,"Isononanoic acid, manganese salt",magnesium bis(7-methyloctanoate),CC(C)CCCCCC(=O)O[Mg]OC(=O)CCCCCC(C)C,CC(C)CCCCCC(=O)O[Mg]OC(=O)CCCCCC(C)C,"InChI=1/2C9H18O2.Mg/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2",C9H18O2.xMn,,,,,,LEFLTZRLTYIARD-UHFFFAOYSA-L,,,,,,,,,,,
100.045.337,249-887-8,29836-26-8,1-O-octyl-ß-D-glucopyranoside,octyl hexopyranoside,CCCCCCCCOC1OC(CO)C(O)C(O)C1O,CCCCCCCCOC1OC(CO)C(O)C(O)C1O,"InChI=1/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3",C14H28O6,,,,,,HEGSGKPQLMEBJL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.338,249-888-3,29837-19-2,"(Z,E,Z)-undeca-1,3,5,8-tetraene","undeca-1,3,5,8-tetraene",C=CC=CC=CCC=CCC,C=CC=CC=CCC=CCC,"InChI=1/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5-9,11H,1,4,10H2,2H3",C11H16,,,,,,JXRWPVZILDJGFO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.236,240-976-7,16920-56-2,Dipotassium hexachloroiridate,dipotassium hexachloroiridate(2-),[K+].[K+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Ir.2K/h6*1H;;;/q;;;;;;+4;2*+1/p-6/rCl6Ir.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",Cl6Ir.2K,,,,,,WEKZJZDULNNSCD-UHFFFAOYSA-H,,,,,,,,,,,
100.032.753,236-044-4,13117-94-7,2-tert-butyl-6-methylaniline,2-tert-butyl-6-methylaniline,Cc1cccc(c1N)C(C)(C)C,Cc1cccc(c1N)C(C)(C)C,"InChI=1/C11H17N/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7H,12H2,1-4H3",C11H17N,,,,,,GWIUAENVORNODL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.761,236-053-3,13123-00-7,N-[N-[(benzoyloxy)carbonyl]-L-phenylalanyl]-L-valine,N-[(benzoyloxy)carbonyl]phenylalanylvaline,CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(=O)c2ccccc2)C(=O)O,CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(=O)c2ccccc2)C(=O)O,"InChI=1/C22H24N2O6/c1-14(2)18(20(26)27)24-19(25)17(13-15-9-5-3-6-10-15)23-22(29)30-21(28)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3,(H,23,29)(H,24,25)(H,26,27)",C22H26N2O5,,,,,,RELVXGWHKKBFJQ-ROUUACIJSA-N,,,,,,,,,,,
100.032.766,236-059-6,13125-51-4,Diisothiocyanatodimethylsilane,diisothiocyanato(dimethyl)silane,C[Si](C)(N=C=S)N=C=S,C[Si](C)(N=C=S)N=C=S,"InChI=1/C4H6N2S2Si/c1-9(2,5-3-7)6-4-8/h1-2H3",C4H6N2S2Si,,,,,,WCCKEPKWCKHBLU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.770,236-063-8,13127-88-3,(2H6)phenol,phenol,Oc1ccccc1,Oc1ccccc1,"InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",C6D6O,,,,,,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.772,236-065-9,13133-29-4,"4,8,12-trioxatridecan-1-ol",3-[3-(3-methoxypropoxy)propoxy]propan-1-ol,COCCCOCCCOCCCO,COCCCOCCCOCCCO,"InChI=1/C10H22O4/c1-12-6-3-8-14-10-4-9-13-7-2-5-11/h11H,2-10H2,1H3",C10H22O4,,,,,,GRTBNOKQBKPUGM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.127,239-756-3,15679-10-4,2-isopropylthiazole,"2-isopropyl-1,3-thiazole",CC(C)c1nccs1,CC(C)c1nccs1,"InChI=1/C6H9NS/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3",C6H9NS,,,,,,BZFIPFGRXRRZSP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.141,239-772-0,15686-61-0,Fenproporex,3-[(1-methyl-2-phenylethyl)amino]propanenitrile,CC(Cc1ccccc1)NCCC#N,CC(Cc1ccccc1)NCCC#N,"InChI=1/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3",C12H16N2,,,,,,IQUFSXIQAFPIMR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.145,239-776-2,15687-05-5,Cloracetadol,"N-[4-(2,2,2-trichloro-1-hydroxyethoxy)phenyl]acetamide",CC(=O)Nc1ccc(OC(O)C(Cl)(Cl)Cl)cc1,CC(=O)Nc1ccc(OC(O)C(Cl)(Cl)Cl)cc1,"InChI=1/C10H10Cl3NO3/c1-6(15)14-7-2-4-8(5-3-7)17-9(16)10(11,12)13/h2-5,9,16H,1H3,(H,14,15)",C10H10Cl3NO3,,,,,,NFZJQAPVHJPJMD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.147,239-778-3,15687-09-9,Difebarbamate,"(5-ethyl-2,4,6-trioxo-5-phenyldihydropyrimidine-1,3(2H,4H)-diyl)bis-3-butoxypropane-1,2-diyl dicarbamate",CCCCOCC(CN1C(=O)N(CC(COCCCC)OC(=O)N)C(=O)C(CC)(C1=O)c2ccccc2)OC(=O)N,CCCCOCC(CN1C(=O)N(CC(COCCCC)OC(=O)N)C(=O)C(CC)(C1=O)c2ccccc2)OC(=O)N,"InChI=1/C28H42N4O9/c1-4-7-14-38-18-21(40-25(29)35)16-31-23(33)28(6-3,20-12-10-9-11-13-20)24(34)32(27(31)37)17-22(41-26(30)36)19-39-15-8-5-2/h9-13,21-22H,4-8,14-19H2,1-3H3,(H2,29,35)(H2,30,36)",C28H42N4O9,,,,,,GJJRIOLBUILIGK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.148,239-779-9,15687-13-5,Dodeclonium bromide,"N-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccc(Cl)cc1,[Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccc(Cl)cc1,"InChI=1/C22H39ClNO.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-24(2,3)19-20-25-22-16-14-21(23)15-17-22;/h14-17H,4-13,18-20H2,1-3H3;1H/q+1;/p-1",C22H39ClNO.Br,,,,,,CKGHXNXUAQJNMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.149,239-780-4,15687-14-6,Embutramide,N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide,CCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1,CCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1,"InChI=1/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)",C17H27NO3,,,,,,LMBMDLOSPKIWAP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.150,239-782-5,15687-18-0,Fenpentadiol,"2-(4-chlorophenyl)-4-methylpentane-2,4-diol",CC(C)(O)CC(C)(O)c1ccc(Cl)cc1,CC(C)(O)CC(C)(O)c1ccc(Cl)cc1,"InChI=1/C12H17ClO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3",C12H17ClO2,,,,,,SNJDSTGQYRTZJT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.153,239-785-1,15687-37-3,Naftazone,"naphthalene-1,2-dione 2-semicarbazone",NC(=O)NN=C2\\C=C/c1ccccc1C2=O,NC(=O)NN=C2\C=C/c1ccccc1C2=O,"InChI=1/C11H9N3O2/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6H,(H3,12,14,16)",C11H9N3O2,,,,,,TZGBBMBARSFJBG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.161,239-794-0,15701-48-1,"(pentane-2,4-dionato-O,O')tris(propan-2-olato)titanium",(1-acetyl-2-oxopropyl)[tris(propan-2-olato)]titanium,CC(C)O[Ti](OC(C)C)(OC(C)C)C(C(=O)C)C(=O)C,CC(C)O[Ti](OC(C)C)(OC(C)C)C(C(=O)C)C(=O)C,"InChI=1/C5H7O2.3C3H7O.Ti/c1-4(6)3-5(2)7;3*1-3(2)4;/h3H,1-2H3;3*3H,1-2H3;/q;3*-1;+3/rC14H28O5Ti/c1-9(2)17-20(18-10(3)4,19-11(5)6)14(12(7)15)13(8)16/h9-11,14H,1-8H3",C14H28O5Ti,,,,,,JZVIFMJRHCEQHT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.015,240-733-5,16690-92-9,Disodium L-glutamate,disodium 2-aminopentanedioate,[Na+].[Na+].N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C5H9NO4.2Na,,,,,,PXEDJBXQKAGXNJ-QTNFYWBSSA-L,,,,,,,,,,,
100.037.016,240-734-0,16690-93-0,Sodium ß-alaninate,sodium 3-aminopropanoate,[Na+].NCCC(=O)[O-],[Na+].NCCC(=O)[O-],"InChI=1/C3H7NO2.Na/c4-2-1-3(5)6;/h1-2,4H2,(H,5,6);/q;+1/p-1",C3H7NO2.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1296,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.016,QKJPFZCCZMBRFB-UHFFFAOYSA-M,,,,,,,,,,,
100.037.018,240-736-1,16693-53-1,"N-methyl-N-(1-oxododecyl)glycine, compound with 2,2',2''-nitrilotri(ethanol) (1:1)","N-dodecanoyl-N-methylglycine - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCC(=O)N(C)CC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCC(=O)N(C)CC(=O)O.OCCN(CCO)CCO,"InChI=1/C15H29NO3.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;8-4-1-7(2-5-9)3-6-10/h3-13H2,1-2H3,(H,18,19);8-10H,1-6H2",C15H29NO3.C6H15NO3,,,,,,HJDITXMCJQRQLU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.025,240-744-5,16695-57-1,"2,2-dichloro-N,N-diethyl-3-oxobutyramide","2,2-dichloro-N,N-diethyl-3-oxobutanamide",CCN(CC)C(=O)C(Cl)(Cl)C(=O)C,CCN(CC)C(=O)C(Cl)(Cl)C(=O)C,"InChI=1/C8H13Cl2NO2/c1-4-11(5-2)7(13)8(9,10)6(3)12/h4-5H2,1-3H3",C8H13Cl2NO2,,,,,,FDPMTHLEABSCPU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.026,240-745-0,16696-65-4,"1,11-dibromoundecane","1,11-dibromoundecane",BrCCCCCCCCCCCBr,BrCCCCCCCCCCCBr,InChI=1/C11H22Br2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2,C11H22Br2,,,,,,SIBVHGAPHVRHMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.000,234-113-3,10538-33-7,"3,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine","3,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine",CC(C)(C)CC(C)(C)c1ccc2Nc3ccc(cc3Sc2c1)C(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)c1ccc2Nc3ccc(cc3Sc2c1)C(C)(C)CC(C)(C)C,"InChI=1/C28H41NS/c1-25(2,3)17-27(7,8)19-11-13-21-23(15-19)30-24-16-20(12-14-22(24)29-21)28(9,10)18-26(4,5)6/h11-16,29H,17-18H2,1-10H3",C28H41NS,,,,,,VZXJHQBFMJESBV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.005,234-119-6,10541-29-4,N-methyl-o-toluidine hydrochloride,"N,2-dimethylaniline hydrochloride",Cl.CNc1ccccc1C,Cl.CNc1ccccc1C,"InChI=1/C8H11N.ClH/c1-7-5-3-4-6-8(7)9-2;/h3-6,9H,1-2H3;1H",C8H11N.ClH,,,,,,UNLGXHLMMSXFBP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.006,234-120-1,10541-71-6,"1,4-dichloro-2-(trichloromethyl)benzene","1,4-dichloro-2-(trichloromethyl)benzene",Clc1ccc(Cl)c(c1)C(Cl)(Cl)Cl,Clc1ccc(Cl)c(c1)C(Cl)(Cl)Cl,"InChI=1/C7H3Cl5/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H",C7H3Cl5,,,,,,GSRCWOBJTVTICJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.007,234-121-7,10541-83-0,4-methylaminobenzoic acid,4-(methylamino)benzoic acid,CNc1ccc(cc1)C(=O)O,CNc1ccc(cc1)C(=O)O,"InChI=1/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)",C8H9NO2,,,,,,ZVIDMSBTYRSMAR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.008,234-122-2,10543-12-1,4-acetoxy-3-methoxybenzoic acid,4-acetoxy-3-methoxybenzoic acid,COc1cc(ccc1OC(=O)C)C(=O)O,COc1cc(ccc1OC(=O)C)C(=O)O,"InChI=1/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)",C10H10O5,,,,,,WTPDKEAYVAXNRO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.012,234-126-4,10544-72-6,Dinitrogen tetraoxide,-,O=N(=O)N(=O)=O,O=N(=O)N(=O)=O,InChI=1/N2O4/c3-1(4)2(5)6,N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13913,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.012,WFPZPJSADLPSON-UHFFFAOYSA-N,,,,,,,,,,,
100.031.013,234-128-5,10544-73-7,Dinitrogen trioxide,-,O=NN(=O)=O,O=NN(=O)=O,InChI=1/N2O3/c3-1-2(4)5,N2O3,,,,,,LZDSILRDTDCIQT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.015,234-130-6,10547-40-7,"N,N'-bis(7-chloro-4-quinolyl)-a,a'-dimethylpiperazine-1,4-diethylamine","N,N'-(piperazine-1,4-diyldipropane-2,2-diyl)bis(7-chloroquinolin-4-amine)",CC(C)(Nc1ccnc2cc(Cl)ccc12)N3CCN(CC3)C(C)(C)Nc4ccnc5cc(Cl)ccc45,CC(C)(Nc1ccnc2cc(Cl)ccc12)N3CCN(CC3)C(C)(C)Nc4ccnc5cc(Cl)ccc45,"InChI=1/C28H32Cl2N6/c1-27(2,33-23-9-11-31-25-17-19(29)5-7-21(23)25)35-13-15-36(16-14-35)28(3,4)34-24-10-12-32-26-18-20(30)6-8-22(24)26/h5-12,17-18H,13-16H2,1-4H3,(H,31,33)(H,32,34)",C28H32Cl2N6,,,,,,UBZRQVAGRBEYDI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.019,234-134-8,10551-21-0,2-methyl-1-(2-phenylethyl)pyridinium bromide,2-methyl-1-(2-phenylethyl)pyridinium bromide,[Br-].Cc1cccc[n+]1CCc2ccccc2,[Br-].Cc1cccc[n+]1CCc2ccccc2,"InChI=1/C14H16N.BrH/c1-13-7-5-6-11-15(13)12-10-14-8-3-2-4-9-14;/h2-9,11H,10,12H2,1H3;1H/q+1;/p-1",C14H16N.Br,,,,,,AYHBRSKXFVQPPX-UHFFFAOYSA-M,,,,,,,,,,,
100.031.021,234-136-9,10551-36-7,"2,5-dioctylhydroquinone","2,5-dioctylbenzene-1,4-diol",CCCCCCCCc1cc(O)c(CCCCCCCC)cc1O,CCCCCCCCc1cc(O)c(CCCCCCCC)cc1O,"InChI=1/C22H38O2/c1-3-5-7-9-11-13-15-19-17-22(24)20(18-21(19)23)16-14-12-10-8-6-4-2/h17-18,23-24H,3-16H2,1-2H3",C22H38O2,,,,,,QVLXDGDLLZYJAM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.028,234-144-2,10560-13-1,Diethyl 5-nitroisophthalate,diethyl 5-nitroisophthalate,CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCC,CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCC,"InChI=1/C12H13NO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7H,3-4H2,1-2H3",C12H13NO6,,,,,,PYBFOSCCWZPUSC-UHFFFAOYSA-N,,,,,,,,,,,
100.031.029,234-145-8,10560-39-1,"1,3,5-tri-tert-butylhexahydro-1,3,5-triazine","1,3,5-tri-tert-butyl-1,3,5-triazinane",CC(C)(C)N1CN(CN(C1)C(C)(C)C)C(C)(C)C,CC(C)(C)N1CN(CN(C1)C(C)(C)C)C(C)(C)C,"InChI=1/C15H33N3/c1-13(2,3)16-10-17(14(4,5)6)12-18(11-16)15(7,8)9/h10-12H2,1-9H3",C15H33N3,,,,,,XNJJKNFDJBAYSE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.318,242-166-9,18293-49-7,4-(dihydroxymethylsilyl)butyronitrile,4-[dihydroxy(methyl)silyl]butanenitrile,C[Si](O)(O)CCCC#N,C[Si](O)(O)CCCC#N,"InChI=1/C5H11NO2Si/c1-9(7,8)5-3-2-4-6/h7-8H,2-3,5H2,1H3",C5H11NO2Si,,,,,,MCTCHUWFSZSXCH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.319,242-167-4,18293-51-1,(trimethylsilyl)methyl thiocyanate,(trimethylsilyl)methyl thiocyanate,C[Si](C)(C)CSC#N,C[Si](C)(C)CSC#N,"InChI=1/C5H11NSSi/c1-8(2,3)5-7-4-6/h5H2,1-3H3",C5H11NSSi,,,,,,JZSMVMFDFSEZQI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.323,242-172-1,18294-87-6,Cyclohex-1-enylacetic acid,cyclohex-1-en-1-ylacetic acid,OC(=O)CC1=CCCCC1,OC(=O)CC1=CCCCC1,"InChI=1/C8H12O2/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,9,10)",C8H12O2,,,,,,KDFBPHXESBPHTK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.325,242-174-2,18296-44-1,Valtrate,"4-(acetoxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-1,6-diyl bis(3-methylbutanoate)",CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]12,CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]12,"InChI=1/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3",C22H30O8,,,,,,BDIAUFOIMFAIPU-KVJIRVJXSA-N,,,,,,,,,,,
100.038.327,242-176-3,18296-82-7,Potassium 3-(4-benzoyl-3-hydroxyphenoxy)propanesulphonate,potassium 3-(4-benzoyl-3-hydroxyphenoxy)propane-1-sulfonate,[K+].Oc1cc(OCCCS(=O)(=O)[O-])ccc1C(=O)c2ccccc2,[K+].Oc1cc(OCCCS(=O)(=O)[O-])ccc1C(=O)c2ccccc2,"InChI=1/C16H16O6S.K/c17-15-11-13(22-9-4-10-23(19,20)21)7-8-14(15)16(18)12-5-2-1-3-6-12;/h1-3,5-8,11,17H,4,9-10H2,(H,19,20,21);/q;+1/p-1",C16H16O6S.K,,,,,,WPCVHNDQJMGGOE-UHFFFAOYSA-M,,,,,,,,,,,
100.034.203,237-639-1,13877-25-3,Potassium trichlorocuprate(1-),potassium trichlorocuprate(1-),[K+].Cl[Cu-](Cl)Cl,[K+].Cl[Cu-](Cl)Cl,InChI=1/3ClH.Cu.K/h3*1H;;/q;;;+2;+1/p-3/rCl3Cu.K/c1-4(2)3;/q-1;+1,Cl3Cu.K,,,,,,SZNHAWRQQIZIBK-UHFFFAOYSA-K,,,,,,,,,,,
100.034.206,237-642-8,13877-94-6,"4,5-epoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecane","4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0~4,6~]dodecane",CC1(C)CC2C1CCC3(C)OC3CCC2=C,CC1(C)CC2C1CCC3(C)OC3CCC2=C,"InChI=1/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3",C15H24O,,,,,,NVEQFIOZRFFVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.211,237-648-0,13881-54-4,Prop-1-enesulphonyl isocyanate,prop-1-ene-1-sulfonyl isocyanate,CC=CS(=O)(=O)\\N=C=O,CC=CS(=O)(=O)\N=C=O,"InChI=1/C4H5NO3S/c1-2-3-9(7,8)5-4-6/h2-3H,1H3",C4H5NO3S,,,,,,DAONPBQTUWQEQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.213,237-650-1,13883-39-1,3-bromopropyltrichlorosilane,(3-bromopropyl)(trichloro)silane,Cl[Si](Cl)(Cl)CCCBr,Cl[Si](Cl)(Cl)CCCBr,"InChI=1/C3H6BrCl3Si/c4-2-1-3-8(5,6)7/h1-3H2",C3H6BrCl3Si,,,,,,UUNGBOQAZQUJMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.217,237-654-3,13887-79-1,2-methylundecanonitrile,2-methylundecanenitrile,CCCCCCCCCC(C)C#N,CCCCCCCCCC(C)C#N,"InChI=1/C12H23N/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12H,3-10H2,1-2H3",C12H23N,,,,,,AOBQKRPEXFNDAP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.218,237-655-9,13887-98-4,"2,2'-[oxybis(2,1-ethanediyloxy)]bisacetic acid","2,2'-[oxybis(ethane-2,1-diyloxy)]diacetic acid",OC(=O)COCCOCCOCC(=O)O,OC(=O)COCCOCCOCC(=O)O,"InChI=1/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",C8H14O7,,,,,,HJZZQNLKBWJYPD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.221,237-659-0,13889-98-0,1-acetylpiperazine,1-acetylpiperazine,CC(=O)N1CCNCC1,CC(=O)N1CCNCC1,"InChI=1/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3",C6H12N2O,,,,,,PKDPUENCROCRCH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.226,237-664-8,13896-65-6,Ruthenium triiodide,-,[Ru+2].[I-].[I-].[I-],[Ru+2].[I-].[I-].[I-],InChI=1/3HI.Ru/h3*1H;/q;;;+2/p-3,I3Ru,,,,,,CZSDWTRJFNXXNX-UHFFFAOYSA-K,,,,,,,,,,,
100.034.227,237-665-3,13897-37-5,"1,3,2-dioxathiolane-4-methanol 2-oxide","(2-oxido-1,3,2-dioxathiolan-4-yl)methanol",OCC1COS(=O)O1,OCC1COS(=O)O1,"InChI=1/C3H6O4S/c4-1-3-2-6-8(5)7-3/h3-4H,1-2H2",C3H6O4S,,,,,,WIPAUXGFNHDOOK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.237,237-676-3,13906-09-7,"2,3-dihydro-2-thioxoquinazolin-4(1H)-one","2-thioxo-2,3-dihydroquinazolin-4(1H)-one",O=C1NC(=S)Nc2ccccc12,O=C1NC(=S)Nc2ccccc12,"InChI=1/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)",C8H6N2OS,,,,,,PUPFOFVEHDNUJU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.243,237-683-1,13912-56-6,"1,3-diisocyanato-2-methylcyclohexane","1,3-diisocyanato-2-methylcyclohexane",CC1C(CCCC1N=C=O)N=C=O,CC1C(CCCC1N=C=O)N=C=O,"InChI=1/C9H12N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h7-9H,2-4H2,1H3",C9H12N2O2,,,,,,OHTRJOZKRSVAOX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.248,237-688-9,13920-98-4,5-mesylbenzoxazol-2(3H)-one,"5-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one",CS(=O)(=O)c1ccc2OC(=O)Nc2c1,CS(=O)(=O)c1ccc2OC(=O)Nc2c1,"InChI=1/C8H7NO4S/c1-14(11,12)5-2-3-7-6(4-5)9-8(10)13-7/h2-4H,1H3,(H,9,10)",C8H7NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16930,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.248,QUKRTJQSGPLQKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.341,249-892-5,29850-62-2,Germanium(2+) phosphonate(1:1),germanium(2+) phosphonate,[Ge+2].[O-]P(=O)[O-],[Ge+2].[O-]P(=O)[O-],"InChI=1/Ge.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3)/q+4;/p-2",Ge.H3O3P,,,,,,CDQJSSPQWXZRIO-UHFFFAOYSA-L,,,,,,,,,,,
100.045.343,249-894-6,29857-13-4,"Sodium 1,4-diisodecyl sulphonatosuccinate","sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate",CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)O[Na],CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)O[Na],"InChI=1/C24H46O7S.Na/c1-20(2)15-11-7-5-9-13-17-30-23(25)19-22(32(27,28)29)24(26)31-18-14-10-6-8-12-16-21(3)4;/h20-22H,5-19H2,1-4H3,(H,27,28,29);/q;+1/p-1/rC24H45NaO7S/c1-20(2)15-11-7-5-9-13-17-30-23(26)19-22(33(28,29)32-25)24(27)31-18-14-10-6-8-12-16-21(3)4/h20-22H,5-19H2,1-4H3",C24H46O7S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5790,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.343,XXIOSJPZBMCGGL-UHFFFAOYSA-M,,,,,,,,,,,
100.045.358,249-910-1,29870-20-0,Bis(2-hydroxyethyl)ammonium hydrogen tartrate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium hydrogen tartarate,OCC[NH2+]CCO.OC(C(O)C(=O)[O-])C(=O)[O-],OCC[NH2+]CCO.OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H11NO2.C4H6O6/c6-3-1-5-2-4-7;5-1(3(7)8)2(6)4(9)10/h5-7H,1-4H2;1-2,5-6H,(H,7,8)(H,9,10)/p-1",C4H11NO2.xC4H6O6,,,,,,XXTDQBHEIICRMK-UHFFFAOYSA-M,,,,,,,,,,,
100.045.371,249-924-8,29882-07-3,"4-chloro-1,1-dimethoxybutane","4-chloro-1,1-dimethoxybutane",COC(CCCCl)OC,COC(CCCCl)OC,"InChI=1/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3",C6H13ClO2,,,,,,LTLKJYMNUSSFAH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.625,243-604-1,20210-97-3,Ethylene disalicylate,"ethane-1,2-diyl bis(2-hydroxybenzoate)",Oc1ccccc1C(=O)OCCOC(=O)c2ccccc2O,Oc1ccccc1C(=O)OCCOC(=O)c2ccccc2O,"InChI=1/C16H14O6/c17-13-7-3-1-5-11(13)15(19)21-9-10-22-16(20)12-6-2-4-8-14(12)18/h1-8,17-18H,9-10H2",C16H14O6,,,,,,FDXIVRQIMPXJGE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.627,243-606-2,20217-01-0,"[(2,4-dibromophenoxy)methyl]oxirane","2-[(2,4-dibromophenoxy)methyl]oxirane",Brc1ccc(OCC2CO2)c(Br)c1,Brc1ccc(OCC2CO2)c(Br)c1,"InChI=1/C9H8Br2O2/c10-6-1-2-9(8(11)3-6)13-5-7-4-12-7/h1-3,7H,4-5H2",C9H8Br2O2,,,,,,NFWLWLQSZIJYFR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.641,243-621-4,20236-81-1,Tridecyl orthoborate,tris(decyl) borate,CCCCCCCCCCOB(OCCCCCCCCCC)OCCCCCCCCCC,CCCCCCCCCCOB(OCCCCCCCCCC)OCCCCCCCCCC,"InChI=1/C30H63BO3/c1-4-7-10-13-16-19-22-25-28-32-31(33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3",C30H63BO3,,,,,,WAXLMVCEFHKADZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.644,243-625-6,20237-98-3,"2,6-bis(4-azidobenzylidene)cyclohexan-1-one","2,6-bis(4-azidobenzylidene)cyclohexanone",[N-]=[N+]=N/c1ccc(cc1)C=C3CCCC(=Cc2ccc(/N=[N+]=[N-])cc2)C3=O,[N-]=[N+]=N/c1ccc(cc1)C=C3CCCC(=Cc2ccc(/N=[N+]=[N-])cc2)C3=O,"InChI=1/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2",C20H16N6O,,,,,,UZNOMHUYXSAUPB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.652,243-634-5,20241-77-4,"1-amino-4,5-dihydroxy-8-(phenylamino)anthraquinone","1-amino-8-anilino-4,5-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(O)ccc(Nc4ccccc4)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(O)ccc(Nc4ccccc4)c3C(=O)c12,"InChI=1/C20H14N2O4/c21-11-6-8-13(23)17-15(11)19(25)16-12(22-10-4-2-1-3-5-10)7-9-14(24)18(16)20(17)26/h1-9,22-24H,21H2",C20H14N2O4,,,,,,PPGISMVFVBBTGY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.657,243-639-2,20246-15-5,"1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diundec-10-enoate","1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) diundec-10-enoate",Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34.[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34.[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,"InChI=1/C30H38N4.2C11H20O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2-3-4-5-6-7-8-9-10-11(12)13/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*2H,1,3-10H2,(H,12,13)",C30H40N4.2C11H19O2,,,,,,ADVZBZHXUINOFY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.658,243-640-8,20248-85-5,2-(2-ethyl-2-methyl-3-oxazolidinyl)ethyl methacrylate,"2-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethyl methacrylate",CCC1(C)OCCN1CCOC(=O)C(=C)C,CCC1(C)OCCN1CCOC(=O)C(=C)C,"InChI=1/C12H21NO3/c1-5-12(4)13(7-9-16-12)6-8-15-11(14)10(2)3/h2,5-9H2,1,3-4H3",C12H21NO3,,,,,,HNIDDMPZRCDQSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.660,243-642-9,20253-60-5,"1,4-dihydroxy-2-[(3-methoxypropyl)amino]anthraquinone","1,4-dihydroxy-2-[(3-methoxypropyl)amino]-9,10-anthraquinone",COCCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,COCCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C18H17NO5/c1-24-8-4-7-19-12-9-13(20)14-15(18(12)23)17(22)11-6-3-2-5-10(11)16(14)21/h2-3,5-6,9,19-20,23H,4,7-8H2,1H3",C18H17NO5,,,,,,DCFOEKQHOISDOS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.661,243-643-4,20255-94-1,1-(hydroxymethyl)ethylene dimyristate,"3-hydroxypropane-1,2-diyl ditetradecanoate",CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC,"InChI=1/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3",C31H60O5,,,,,,JFBCSFJKETUREV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.665,243-648-1,20260-53-1,Nicotinoyl chloride hydrochloride,nicotinoyl chloride hydrochloride,Cl.ClC(=O)c1cccnc1,Cl.ClC(=O)c1cccnc1,InChI=1/C6H4ClNO.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H;1H,C6H4ClNO.ClH,,,,,,MSYBLBLAMDYKKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.390,235-643-8,12408-10-5,Tetrachlorobenzene,"1,2,3,4-tetrachlorobenzene",Clc1ccc(Cl)c(Cl)c1Cl,Clc1ccc(Cl)c(Cl)c1Cl,InChI=1/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,C6H2Cl4,,,,,,GBDZXPJXOMHESU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.402,235-656-9,12428-64-7,Tetraaluminium decahydroxide sulphate,tetraaluminium decahydroxide sulphate,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S(=O)(=O)[O-],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S(=O)(=O)[O-],"InChI=1/4Al.H2O4S.10H2O/c;;;;1-5(2,3)4;;;;;;;;;;/h;;;;(H2,1,2,3,4);10*1H2/q4*+3;;;;;;;;;;;/p-12",Al4H10O14S,,,,,,PHWYDKYLWYCEOI-UHFFFAOYSA-B,,,,,,,,,,,
100.032.409,235-664-2,12433-90-8,"Copper, compound with samarium (5:1)",copper - samarium (5:1),[Cu].[Cu].[Cu].[Cu].[Cu].[Sm],[Cu].[Cu].[Cu].[Cu].[Cu].[Sm],InChI=1/5Cu.Sm/q5*+1;+2,Cu.Sm,,,,,,RCIPAAPRWHGZKD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.423,235-679-4,12505-45-2,"Aluminium, compound with holmium (2:1)",aluminum - holmium (2:1),[AlH3].[AlH3].[Ho],[AlH3].[AlH3].[Ho],InChI=1/2Al.Ho.6H/q3*+3;;;;;;/r2AlH3.Ho/h2*1H3;/q3*+3,Al.Ho,,,,,,HQENSWAZJLRCRG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.425,235-682-0,12511-31-8,Aluminium magnesium silicate(2:1:2),aluminium magnesium silicate(2:1:2),[MgH2].[AlH3].[AlH3].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[MgH2].[AlH3].[AlH3].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Al.Mg.2O3Si.8H/c;;;2*1-4(2)3;;;;;;;;/q2*+3;+2;2*-2;;;;;;;;/r2AlH3.H2Mg.2O3Si/c;;;2*1-4(2)3/h2*1H3;1H2;;/q2*+3;+2;2*-2,Al.H4O4Si.1/2Mg,,,,,,NHQNJVYOQHEKRT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.426,235-683-6,12515-29-6,"Cerium, compound with cobalt (2:7)",cerium - cobalt (2:7),[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Ce].[Ce],[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Ce].[Ce],InChI=1/2Ce.7Co/q2*+3;7*+2,Ce.Co,,,,,,AWQVEFCCBGWACT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.800,239-397-2,15360-00-6,p-tert-butoxyanisole,1-tert-butoxy-4-methoxybenzene,COc1ccc(OC(C)(C)C)cc1,COc1ccc(OC(C)(C)C)cc1,"InChI=1/C11H16O2/c1-11(2,3)13-10-7-5-9(12-4)6-8-10/h5-8H,1-4H3",C11H16O2,,,,,,SOEWHLJEXIKEPN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.806,239-403-3,15366-08-2,sec-butylmagnesium chloride,sec-butylmagnesium(1+) chloride,[Cl-].CCC(C)[Mg+],[Cl-].CCC(C)[Mg+],"InChI=1/C4H9.ClH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q;;+1/p-1/rC4H9Mg.ClH/c1-3-4(2)5;/h4H,3H2,1-2H3;1H/q+1;/p-1",C4H9ClMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11010,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.806,MJHZUYZQMNONPK-UHFFFAOYSA-M,,,,,,,,,,,
100.035.811,239-409-6,15385-57-6,Dimercury diiodide,diiododimercury(Hg-Hg),I[Hg][Hg]I,I[Hg][Hg]I,InChI=1/2Hg.2HI/h;;2*1H/q2*+1;;/p-2/rHg2I2/c3-1-2-4,Hg2I2,,,,,,NDKKKEPYKOOXLG-UHFFFAOYSA-L,,,,,,,,,,,
100.035.813,239-411-7,15387-98-1,"Difluoro(3-oxo-N-phenylbutyramidato-O,O')boron",3-anilino-1-methyl-3-oxoprop-1-en-1-yl difluoroborate,CC(=CC(=O)Nc1ccccc1)OB(F)F,CC(=CC(=O)Nc1ccccc1)OB(F)F,"InChI=1/C10H10BF2NO2/c1-8(16-11(12)13)7-10(15)14-9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)",C10H10BF2NO2,,,,,,JRASYOPKEUTBOX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.816,239-414-3,15394-93-1,4-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one,"4-[(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c3cc(Cl)cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c3O,[O-][N+](=O)c3cc(Cl)cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c3O,"InChI=1/C16H12ClN5O4/c1-9-14(16(24)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)23)22(25)26/h2-8,14,23H,1H3",C16H12ClN5O4,,,,,,OJTGJINHHPXTJI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.817,239-415-9,15396-00-6,3-(trimethoxysilyl)propyl isocyanate,(3-isocyanatopropyl)(trimethoxy)silane,CO[Si](CCCN=C=O)(OC)OC,CO[Si](CCCN=C=O)(OC)OC,"InChI=1/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3",C7H15NO4Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14416,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.817,FMGBDYLOANULLW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.819,239-418-5,15400-53-0,"Ethyl 2-amino-1,4-dihydro-4-oxopyrimidine-5-carboxylate","ethyl 2-amino-4-oxo-1,4-dihydropyrimidine-5-carboxylate",CCOC(=O)C1=CNC(=NC1=O)N,CCOC(=O)C1=CNC(=NC1=O)N,"InChI=1/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)",C7H9N3O3,,,,,,HRRHGLKNOJHIGY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.821,239-420-6,15403-56-2,1-(methylamino)-4-[(1-methylethyl)amino]anthraquinone,"1-(isopropylamino)-4-(methylamino)-9,10-anthraquinone",CNc1ccc(NC(C)C)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(NC(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H18N2O2/c1-10(2)20-14-9-8-13(19-3)15-16(14)18(22)12-7-5-4-6-11(12)17(15)21/h4-10,19-20H,1-3H3",C18H18N2O2,,,,,,VPUMFVBIIVCLPO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.823,239-422-7,15409-60-6,2-[(dimethylamino)methyl]cyclohexan-1-one,2-[(dimethylamino)methyl]cyclohexanone,CN(C)CC1CCCCC1=O,CN(C)CC1CCCCC1=O,"InChI=1/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8H,3-7H2,1-2H3",C9H17NO,,,,,,QDHLEFBSGUGHCL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.826,239-425-3,15414-77-4,"Salicylic acid, bismuth(3+) salt",-,[BiH3+3].Oc1ccccc1C(=O)[O-],[BiH3+3].Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.Bi.3H/c8-6-4-2-1-3-5(6)7(9)10;;;;/h1-4,8H,(H,9,10);;;;/q;+3;;;/p-1/rC7H6O3.BiH3/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3/q;+3/p-1",C7H6O3.xBi,,,,,,HMCCEPFNULSJDL-UHFFFAOYSA-M,,,,,,,,,,,
100.035.839,239-440-5,15430-52-1,Prop-2-ynylamine hydrochloride,prop-2-yn-1-amine hydrochloride,Cl.NCC#C,Cl.NCC#C,"InChI=1/C3H5N.ClH/c1-2-3-4;/h1H,3-4H2;1H",C3H5N.ClH,,,,,,IKXNIQJDNKPPCH-UHFFFAOYSA-N,,,,,,,,,,,
100.031.030,234-146-3,10563-23-2,"N-ethylpropane-1,3-diamine","N-ethylpropane-1,3-diamine",CCNCCCN,CCNCCCN,"InChI=1/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3",C5H14N2,,,,,,ODGYWRBCQWKSSH-UHFFFAOYSA-N,,,,,,,,,,,
100.031.034,234-151-0,10566-47-9,"Sodium 4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-{4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O,"InChI=1/C16H13ClN4O4S.Na/c1-10-15(19-18-14-5-3-2-4-13(14)17)16(22)21(20-10)11-6-8-12(9-7-11)26(23,24)25;/h2-9,15H,1H3,(H,23,24,25);/q;+1/p-1",C16H13ClN4O4S.Na,,,,,,RTWXHJDIGCQZPU-UHFFFAOYSA-M,,,,,,,,,,,
100.031.957,235-166-5,12108-13-3,Tricarbonyl(methylcyclopentadienyl)manganese,-,[Mn].[O+]#[C-].CC/1/C=C\\C=C\\1.[O+]#[C-].[O+]#[C-],[Mn].[O+]#[C-].CC/1/C=C\C=C\1.[O+]#[C-].[O+]#[C-],"InChI=1/C6H8.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-6H,1H3;;;;/q;;;;+2",C9H7MnO3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2182,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.957,JCTFMUZEBAUILE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.959,235-168-6,12110-39-3,Chlorodiphenylmethylium hexachloroantimonate,chloro(diphenyl)methylium hexachloroantimonate(1-),Cl[C+](c1ccccc1)c2ccccc2.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,Cl[C+](c1ccccc1)c2ccccc2.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/C13H11Cl.6ClH.Sb/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;;;;;/h1-10,13H;6*1H;/q+1;;;;;;;+5/p-6/rC13H11Cl.Cl6Sb/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7(2,3,4,5)6/h1-10,13H;/q+1;-1",C13H10Cl.Cl6Sb,,,,,,SSEYTZLBRQOFQQ-UHFFFAOYSA-H,,,,,,,,,,,
100.031.976,235-186-4,12125-02-9,Ammonium chloride,ammonium chloride,[NH4+].[Cl-],[NH4+].[Cl-],InChI=1/ClH.H3N/h1H;1H3,ClH4N,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15492,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.976,NLXLAEXVIDQMFP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.978,235-189-0,12125-09-6,Phosphonium iodide,phosphonium iodide,[PH4+].[I-],[PH4+].[I-],InChI=1/HI.H3P/h1H;1H3,H4IP,,,,,,LSMAIBOZUPTNBR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.016,245-134-2,22619-37-0,3-[3-(4-chlorophenyl)-1-(5-chloro-2-thienyl)-3-oxopropyl]-4-hydroxy-2-benzopyrone,3-[3-(4-chlorophenyl)-1-(5-chloro-2-thienyl)-3-oxopropyl]-4-hydroxy-2H-chromen-2-one,OC1=C(C(CC(=O)c2ccc(Cl)cc2)c3ccc(Cl)s3)C(=O)Oc4ccccc14,OC1=C(C(CC(=O)c2ccc(Cl)cc2)c3ccc(Cl)s3)C(=O)Oc4ccccc14,"InChI=1/C22H14Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15,26H,11H2",C22H14Cl2O4S,,,,,,NXXFFWWNTNSJQP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.018,245-136-3,22621-40-5,Methyl O-acetyl-5-iodosalicylate,methyl 2-acetoxy-5-iodobenzoate,O=C(C)Oc1ccc(I)cc1C(=O)OC,O=C(C)Oc1ccc(I)cc1C(=O)OC,"InChI=1/C10H9IO4/c1-6(12)15-9-4-3-7(11)5-8(9)10(13)14-2/h3-5H,1-2H3",C10H9IO4,,,,,,XZPUGLSFEQHHEM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.027,245-146-8,22651-87-2,Cyclohexanecarboxylic anhydride,cyclohexanecarboxylic anhydride,O=C(OC(=O)C1CCCCC1)C2CCCCC2,O=C(OC(=O)C1CCCCC1)C2CCCCC2,"InChI=1/C14H22O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h11-12H,1-10H2",C14H22O3,,,,,,JOHUAELJNSBTGS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.029,245-148-9,22662-39-1,Rafoxanide,"N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodobenzamide",Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2,Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2,"InChI=1/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)",C19H11Cl2I2NO3,,,,,,NEMNPWINWMHUMR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.030,245-149-4,22663-37-2,N-(aminocarbonyl)-4-chlorobenzenesulphonamide,N-carbamoyl-4-chlorobenzenesulfonamide,NC(=O)NS(=O)(=O)c1ccc(Cl)cc1,NC(=O)NS(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C7H7ClN2O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,(H3,9,10,11)",C7H7ClN2O3S,,,,,,AZEPYUPSYWCRBG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.034,245-154-1,22679-54-5,4-tert-butylbenzophenone,(4-tert-butylphenyl)(phenyl)methanone,CC(C)(C)c1ccc(cc1)C(=O)c2ccccc2,CC(C)(C)c1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C17H18O/c1-17(2,3)15-11-9-14(10-12-15)16(18)13-7-5-4-6-8-13/h4-12H,1-3H3",C17H18O,,,,,,DFYJCXSOGSYMAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.041,245-162-5,22705-32-4,"N,N,1,1-tetramethylsilylamine","N,N,1,1-tetramethylsilanamine",CN(C)[SiH](C)C,CN(C)[SiH](C)C,"InChI=1/C4H13NSi/c1-5(2)6(3)4/h6H,1-4H3",C4H13NSi,,,,,,KNLUHXUFCCNNIB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.044,245-165-1,22707-35-3,Decyl hexyl adipate,decyl hexyl adipate,CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC,CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC,"InChI=1/C22H42O4/c1-3-5-7-9-10-11-12-16-20-26-22(24)18-14-13-17-21(23)25-19-15-8-6-4-2/h3-20H2,1-2H3",C22H42O4,,,,,,QKZWHBZWJOJJHF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.051,245-173-5,22717-57-3,Methyl 6-hydroxy-m-toluate,methyl 2-hydroxy-5-methylbenzoate,COC(=O)c1cc(C)ccc1O,COC(=O)c1cc(C)ccc1O,"InChI=1/C9H10O3/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5,10H,1-2H3",C9H10O3,,,,,,JQYUQKRFSSSGJM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.053,245-175-6,22719-81-9,Ethyl p-tolyl carbonate,ethyl 4-methylphenyl carbonate,CCOC(=O)Oc1ccc(C)cc1,CCOC(=O)Oc1ccc(C)cc1,"InChI=1/C10H12O3/c1-3-12-10(11)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",C10H12O3,,,,,,SMZZUTOGLVAUKB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.181,240-915-4,16883-16-2,5-methyl-3-phenylisoxazole-4-carbonyl chloride,5-methyl-3-phenylisoxazole-4-carbonyl chloride,Cc1onc(c2ccccc2)c1C(=O)Cl,Cc1onc(c2ccccc2)c1C(=O)Cl,"InChI=1/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3",C11H8ClNO2,,,,,,HXEVQMXCHCDPSO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.185,240-920-1,16883-83-3,"Benzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropyl phthalate","benzyl 3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl phthalate",CC(C)C(OC(=O)c1ccccc1C(=O)OCc2ccccc2)C(C)(C)COC(=O)C(C)C,CC(C)C(OC(=O)c1ccccc1C(=O)OCc2ccccc2)C(C)(C)COC(=O)C(C)C,"InChI=1/C27H34O6/c1-18(2)23(27(5,6)17-32-24(28)19(3)4)33-26(30)22-15-11-10-14-21(22)25(29)31-16-20-12-8-7-9-13-20/h7-15,18-19,23H,16-17H2,1-6H3",C27H34O6,,,,,,HPZSSCRWFLKGOG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.187,240-922-2,16888-75-8,"N,N'-diisopropylideneethylenediamine","N,N'-diisopropylideneethane-1,2-diamine",CC(=NCCN=C(C)C)C,CC(=NCCN=C(C)C)C,"InChI=1/C8H16N2/c1-7(2)9-5-6-10-8(3)4/h5-6H2,1-4H3",C8H16N2,,,,,,KWAQMTIQRQEKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.197,240-933-2,16893-49-5,"5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Nc4nc(Nc3cc(cc2cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n4,Nc4nc(Nc3cc(cc2cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n4,"InChI=1/C19H14ClN7O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H3,21,22,23,24,25)",C19H14ClN7O10S3,,,,,,NURBNRFNNUIGIY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.217,240-955-2,16909-09-4,"(E)-2',4'-dimethoxycinnamic acid","3-(2,4-dimethoxyphenyl)acrylic acid",COc1ccc(C=CC(=O)O)c(OC)c1,COc1ccc(C=CC(=O)O)c(OC)c1,"InChI=1/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)",C11H12O4,,,,,,YIKHDPHTFYWYJV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.220,240-958-9,16909-78-7,2-hydroxy-4-(2-hydroxyethoxy)benzophenone,[2-hydroxy-4-(2-hydroxyethoxy)phenyl](phenyl)methanone,OCCOc1ccc(C(=O)c2ccccc2)c(O)c1,OCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C15H14O4/c16-8-9-19-12-6-7-13(14(17)10-12)15(18)11-4-2-1-3-5-11/h1-7,10,16-17H,8-9H2",C15H14O4,,,,,,SCMSRHIBVBIECI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.577,238-051-8,14199-83-8,1-deoxy-1-nitro-D-mannitol,1-deoxy-1-nitro-D-mannitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[N+](=O)[O-],OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[N+](=O)[O-],"InChI=1/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2",C6H13NO7,,,,,,HOFCJTOUEGMYBT-KVTDHHQDSA-N,,,,,,,,,,,
100.034.580,238-054-4,14202-13-2,"3-methyltricyclo[3.3.1.13,7]decan-1-ylacetic acid",(3-methyladamantan-1-yl)acetic acid,CC12CC3CC(C1)CC(CC(=O)O)(C3)C2,CC12CC3CC(C1)CC(CC(=O)O)(C3)C2,"InChI=1/C13H20O2/c1-12-3-9-2-10(4-12)6-13(5-9,8-12)7-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)",C13H20O2,,,,,,OIASGIUDXARLDU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.585,238-060-7,14205-65-3,"Ethyl 8-hydroxy-1,3-dioxolo[4,5-g]quinoline-7-carboxylate","ethyl 8-hydroxy[1,3]dioxolo[4,5-g]quinoline-7-carboxylate",CCOC(=O)c1cnc2cc3OCOc3cc2c1O,CCOC(=O)c1cnc2cc3OCOc3cc2c1O,"InChI=1/C13H11NO5/c1-2-17-13(16)8-5-14-9-4-11-10(18-6-19-11)3-7(9)12(8)15/h3-5H,2,6H2,1H3,(H,14,15)",C13H11NO5,,,,,,VZKWWMFVWHSLHK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.589,238-064-9,14209-41-7,1H-indene-3-carboxylic acid,1H-indene-3-carboxylic acid,OC(=O)C1=CCc2ccccc12,OC(=O)C1=CCc2ccccc12,"InChI=1/C10H8O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,6H,5H2,(H,11,12)",C10H8O2,,,,,,NZSCUDBGUBVDLO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.592,238-068-0,14214-32-5,Difenoxuron,"3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea",COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1,COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1,"InChI=1/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)",C16H18N2O3,,,,,,AMVYOVYGIJXTQB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.600,238-076-4,14216-75-2,"Nitric acid, nickel salt",-,[Ni+2].[O-][N+](=O)[O-],[Ni+2].[O-][N+](=O)[O-],InChI=1/NO3.Ni/c2-1(3)4;/q-1;+2,HNO3.xNi,,,,,,FQEBCESGOMYPJF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.623,238-102-4,14234-82-3,Diisobutyl maleate,diisobutyl but-2-enedioate,CC(C)COC(=O)\\C=C/C(=O)OCC(C)C,CC(C)COC(=O)\C=C/C(=O)OCC(C)C,"InChI=1/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3",C12H20O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7351,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.623,RSRICHZMFPHXLE-WAYWQWQTSA-N,,,,,,,,,,,
100.038.338,242-188-9,18304-79-5,"1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane, stereoisomer","1,3,6,8-tetraazatricyclo[6.2.1.1~3,6~]dodecane",C1CN2CN1CN3CCN(C3)C2,C1CN2CN1CN3CCN(C3)C2,InChI=1/C8H16N4/c1-2-10-5-9(1)7-11-3-4-12(6-11)8-10/h1-8H2,C8H16N4,,,,,,ZBFHXDNNFOOFLY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.342,242-193-6,18306-73-5,[[(chloromethyl)dimethylsilyl]methyl]trimethylsilane,(chloromethyl)(dimethyl)[(trimethylsilyl)methyl]silane,C[Si](C)(C)C[Si](C)(C)CCl,C[Si](C)(C)C[Si](C)(C)CCl,"InChI=1/C7H19ClSi2/c1-9(2,3)7-10(4,5)6-8/h6-7H2,1-5H3",C7H19ClSi2,,,,,,WBZTYASEAQTKBK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.347,242-198-3,18312-21-5,"(E)-4-methoxy-6-(propen-1-yl)-1,3-benzodioxole","4-methoxy-6-prop-1-en-1-yl-1,3-benzodioxole",COc1cc(\\C=C\\C)cc2OCOc12,COc1cc(\C=C\C)cc2OCOc12,"InChI=1/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3",C11H12O3,,,,,,DHUZAAUGHUHIDS-ONEGZZNKSA-N,,,,,,,,,,,
100.041.994,246-210-8,24374-38-7,1-hydroxy-4-methylimidazole 3-oxide,4-methyl-1H-imidazol-1-ol 3-oxide,Cc1cn(O)c[n+]1[O-],Cc1cn(O)c[n+]1[O-],"InChI=1/C4H6N2O2/c1-4-2-5(7)3-6(4)8/h2-3,7H,1H3",C4H6N2O2,,,,,,VYNJQZZELSAPLR-UHFFFAOYSA-N,,,,,,,,,,,
100.041.995,246-211-3,24376-01-0,"N,N-diethylglycine hydrochloride","N,N-diethylglycine hydrochloride",Cl.CCN(CC)CC(=O)O,Cl.CCN(CC)CC(=O)O,"InChI=1/C6H13NO2.ClH/c1-3-7(4-2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H",C6H13NO2.ClH,,,,,,BGWSMDYVVVJGBB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.997,246-213-4,24381-49-5,"Choline 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","2-hydroxy-N,N,N-trimethylethanaminium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",C[N+](C)(C)CCO.[O-]C(=O)C1=CC(=O)NC(=O)N1,C[N+](C)(C)CCO.[O-]C(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C5H4N2O4.C5H14NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-6(2,3)4-5-7/h1H,(H,9,10)(H2,6,7,8,11);7H,4-5H2,1-3H3/q;+1/p-1",C5H14NO.C5H3N2O4,,,,,,IMAGLCGCHKGGLR-UHFFFAOYSA-M,,,,,,,,,,,
100.041.998,246-215-5,24387-36-8,"2,5-diphenyl-3-(p-styrylphenyl)-2H-tetrazolium chloride","2,5-diphenyl-3-[4-(2-phenylvinyl)phenyl]-2H-tetrazol-3-ium",C(=Cc1ccc(cc1)[n+]2nc(nn2c3ccccc3)c4ccccc4)c5ccccc5,C(=Cc1ccc(cc1)[n+]2nc(nn2c3ccccc3)c4ccccc4)c5ccccc5,InChI=1/C27H21N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)31-29-27(24-12-6-2-7-13-24)28-30(31)25-14-8-3-9-15-25/h1-21H/q+1,C27H21N4.Cl,,,,,,ZLKDAUOJQKIWLC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.630,248-009-0,26791-94-6,"2-[(carboxymethyl)thio]-4,5-dimethoxybenzoic acid","2-[(carboxymethyl)sulfanyl]-4,5-dimethoxybenzoic acid",COc1cc(SCC(=O)O)c(cc1OC)C(=O)O,COc1cc(SCC(=O)O)c(cc1OC)C(=O)O,"InChI=1/C11H12O6S/c1-16-7-3-6(11(14)15)9(4-8(7)17-2)18-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)",C11H12O6S,,,,,,PYMSTJLTQHAJIG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.636,248-015-3,26821-65-8,2-ethylhexyl [(butylthioxostannyl)thio]acetate,2-ethylhexyl {[butyl(thioxo)stannyl]sulfanyl}acetate,CCCCC(CC)COC(=O)CS[Sn](=S)CCCC,CCCCC(CC)COC(=O)CS[Sn](=S)CCCC,"InChI=1/C10H20O2S.C4H9.S.Sn/c1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-4-2;;/h9,13H,3-8H2,1-2H3;1,3-4H2,2H3;;/q;;;+1/p-1/rC14H28O2S2Sn/c1-4-7-9-13(6-3)11-16-14(15)12-18-19(17)10-8-5-2/h13H,4-12H2,1-3H3",C14H28O2S2Sn,,,,,,QXSAGDVASKPEQM-UHFFFAOYSA-M,,,,,,,,,,,
100.043.638,248-017-4,26827-38-3,Benzyl trichloroacetate,benzyl trichloroacetate,ClC(Cl)(Cl)C(=O)OCc1ccccc1,ClC(Cl)(Cl)C(=O)OCc1ccccc1,"InChI=1/C9H7Cl3O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5H,6H2",C9H7Cl3O2,,,,,,ATMAFOGHBMIGMV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.649,248-030-5,26838-05-1,Disodium C-dodecyl sulphonatosuccinate,disodium 4-(dodecyloxy)-4-oxo-2-sulfonatobutanoate,CCCCCCCCCCCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na],CCCCCCCCCCCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C16H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-15(17)13-14(16(18)19)24(20,21)22;;/h14H,2-13H2,1H3,(H,18,19)(H,20,21,22);;/q;2*+1/p-2/rC16H29NaO7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-15(18)13-14(16(19)20)25(21,22)24-17;/h14H,2-13H2,1H3,(H,19,20);/q;+1/p-1",C16H30O7S.2Na,,,,,,YGAXLGGEEQLLKV-UHFFFAOYSA-L,,,,,,,,,,,
100.043.652,248-033-1,26839-76-9,"(+)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol","1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol",CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,"InChI=1/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3",C13H24N4O3S,,,,,,BLJRIMJGRPQVNF-UHFFFAOYSA-N,Positive,EQ321001|EQ321002|EQ321003|EQ321004|EQ321005|EQ321006|EQ321007|EQ321008|EQ321009,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,317.1642:261.1017:74.0598|261.1015:74.06:317.1643|74.06:244.0751:188.0488|74.06:188.0489:56.0495|74.06:56.0495:144.0226|74.06:56.0495:113.0709|56.0495:69.0447:74.0059|56.0495:69.0447:74.0059|56.0495:69.0447:59.9903,Eawag,,,,,
100.043.655,248-036-8,26841-42-9,3-chloro-N-[3-(diethylamino)phenyl]propionamide,3-chloro-N-[3-(diethylamino)phenyl]propanamide,CCN(CC)c1cccc(NC(=O)CCCl)c1,CCN(CC)c1cccc(NC(=O)CCCl)c1,"InChI=1/C13H19ClN2O/c1-3-16(4-2)12-7-5-6-11(10-12)15-13(17)8-9-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)",C13H19ClN2O,,,,,,HSROMTVYEHQKJT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.660,248-042-0,26845-91-0,Sodium 3-[[4-[(4-hydroxyphenyl)azo]-5-methoxy-o-tolyl]azo]-4-methoxybenzenesulphonate,sodium 3-({4-[(4-hydroxyphenyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)-4-methoxybenzenesulfonate,[Na+].COc3cc(N=Nc1cc(ccc1OC)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(O)cc2,[Na+].COc3cc(N=Nc1cc(ccc1OC)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(O)cc2,"InChI=1/C21H20N4O6S.Na/c1-13-10-18(24-22-14-4-6-15(26)7-5-14)21(31-3)12-17(13)23-25-19-11-16(32(27,28)29)8-9-20(19)30-2;/h4-12,26H,1-3H3,(H,27,28,29);/q;+1/p-1",C21H20N4O6S.Na,,,,,,FAFWAUHJVYRPSU-UHFFFAOYSA-M,,,,,,,,,,,
100.043.256,247-598-1,26303-54-8,Aluminium tri(decanolate),aluminum tridecan-1-olate,[Al+3].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],[Al+3].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],"InChI=1/3C10H21O.Al/c3*1-2-3-4-5-6-7-8-9-10-11;/h3*2-10H2,1H3;/q3*-1;+3",C10H22O.1/3Al,,,,,,CFSOVYRQRBXGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.259,247-601-6,26305-13-5,"5,6-dimethyluracil","5,6-dimethylpyrimidine-2,4(1H,3H)-dione",CC1=C(C)C(=O)NC(=O)N1,CC1=C(C)C(=O)NC(=O)N1,"InChI=1/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)",C6H8N2O2,,,,,,PZVLJGKJIMBYNP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.261,247-603-7,26306-64-9,"2-(2,4-dichlorophenoxy)aniline","2-(2,4-dichlorophenoxy)aniline",Nc1ccccc1Oc2ccc(Cl)cc2Cl,Nc1ccccc1Oc2ccc(Cl)cc2Cl,"InChI=1/C12H9Cl2NO/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7H,15H2",C12H9Cl2NO,,,,,,NXXSJWHUACPWNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.845,239-446-8,15435-29-7,"2,2'-methylenebis(6-bromo-4-chlorophenol)","2,2'-methylenebis(6-bromo-4-chlorophenol)",Oc1c(Br)cc(Cl)cc1Cc2cc(Cl)cc(Br)c2O,Oc1c(Br)cc(Cl)cc1Cc2cc(Cl)cc(Br)c2O,"InChI=1/C13H8Br2Cl2O2/c14-10-4-8(16)2-6(12(10)18)1-7-3-9(17)5-11(15)13(7)19/h2-5,18-19H,1H2",C13H8Br2Cl2O2,,,,,,TYBHZVUFOINFDV-UHFFFAOYSA-N,Negative,,,,,,SM864952;EQ329851|EQ329852|EQ329853|EQ329854|EQ329855|EQ329856,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,204.9061:422.8197:342.8932;422.8196:204.9059:78.9189|204.9061:78.9189:422.8195|204.9061:78.9189:342.8929|78.9189:204.906:124.9799|78.9189:204.906:124.9799|78.9189:204.9061:124.9799,CASMI_2016;Eawag
100.032.787,236-082-1,13145-41-0,Dipotassium cyanodithiocarbamate,dipotassium cyanodithiocarbamate,[K+].[K+].[S-]C(=S)NC#N.[S-]C(=S)NC#N,[K+].[K+].[S-]C(=S)NC#N.[S-]C(=S)NC#N,"InChI=1/2C2H2N2S2.2K/c2*3-1-4-2(5)6;;/h2*(H2,4,5,6);;/q;;2*+1/p-2",C2H2N2S2.2K,,,,,,SINZWRBPIVHGQM-UHFFFAOYSA-L,,,,,,,,,,,
100.032.791,236-086-3,13149-00-3,"cis-cyclohexane-1,2-dicarboxylic anhydride","2,2'-(oxydicarbonyl)dicyclohexanecarboxylic acid",OC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC(=O)[C@@H]2CCCC[C@@H]2C(=O)O,OC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC(=O)[C@@H]2CCCC[C@@H]2C(=O)O,"InChI=1/C16H22O7/c17-13(18)9-5-1-3-7-11(9)15(21)23-16(22)12-8-4-2-6-10(12)14(19)20/h9-12H,1-8H2,(H,17,18)(H,19,20)",C8H10O3,,,,,,BHUJRLVPGNPDNJ-IWDIQUIJSA-N,,,,,,,,,,,
100.032.799,236-095-2,13157-47-6,N-(hydroxymethyl)dodecanamide,N-(hydroxymethyl)dodecanamide,CCCCCCCCCCCC(=O)NCO,CCCCCCCCCCCC(=O)NCO,"InChI=1/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-13(16)14-12-15/h15H,2-12H2,1H3,(H,14,16)",C13H27NO2,,,,,,JLVVHLOSZJGCKM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.801,236-097-3,13159-52-9,3-chloro-2-hydroxypropyl methacrylate,3-chloro-2-hydroxypropyl methacrylate,CC(=C)C(=O)OCC(O)CCl,CC(=C)C(=O)OCC(O)CCl,"InChI=1/C7H11ClO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3",C7H11ClO3,,,,,,DDKMFQGAZVMXQV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.805,236-101-3,13161-99-4,"(Z)-4,4'-(1,3-phenylenediimino)bis[4-oxoisocrotonic] acid","4,4'-(1,3-phenylenediimino)bis(4-oxobut-2-enoic acid)",OC(=O)\\C=C/C(=O)Nc1cccc(NC(=O)\\C=C/C(=O)O)c1,OC(=O)\C=C/C(=O)Nc1cccc(NC(=O)\C=C/C(=O)O)c1,"InChI=1/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)",C14H12N2O6,,,,,,SKDIMRRKRVTENP-PEPZGXQESA-N,,,,,,,,,,,
100.032.807,236-103-4,13162-41-9,"Hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin","2,4,4,7-tetramethylhexahydro-4H-1,3-benzodioxine",CC1CCC2C(C1)OC(C)OC2(C)C,CC1CCC2C(C1)OC(C)OC2(C)C,"InChI=1/C12H22O2/c1-8-5-6-10-11(7-8)13-9(2)14-12(10,3)4/h8-11H,5-7H2,1-4H3",C12H22O2,,,,,,IUAVIWFKLFEYLT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.817,236-114-4,13171-00-1,"6-tert-butyl-1,1-dimethylindan-4-yl methyl ketone","1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone",CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,"InChI=1/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3",C17H24O,,,,,,IKTHMQYJOWTSJO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.176,239-810-6,15717-45-0,"8-bromoguanosine 2',3',5'-triacetate","2',3',5'-tri-O-acetyl-8-bromoguanosine",CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n2c(Br)nc3C(=O)NC(=Nc23)N,CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n2c(Br)nc3C(=O)NC(=Nc23)N,"InChI=1/C16H18BrN5O8/c1-5(23)27-4-8-10(28-6(2)24)11(29-7(3)25)14(30-8)22-12-9(19-15(22)17)13(26)21-16(18)20-12/h8,10-11,14H,4H2,1-3H3,(H3,18,20,21,26)",C16H18BrN5O8,,,,,,JLZCAXCVNVVXJL-IDTAVKCVSA-N,,,,,,,,,,,
100.036.181,239-815-3,15721-02-5,"2,2',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diamine","2,2',5,5'-tetrachlorobiphenyl-4,4'-diamine",Nc1cc(Cl)c(cc1Cl)c2cc(Cl)c(N)cc2Cl,Nc1cc(Cl)c(cc1Cl)c2cc(Cl)c(N)cc2Cl,"InChI=1/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2",C12H8Cl4N2,,,,,,UXOXUHMFQZEAFR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.182,239-816-9,15721-78-5,"Bis(4-(1,1,3,3-tetramethylbutyl)phenyl)amine","4-(1,1,3,3-tetramethylbutyl)-N-[4-(1,1,3,3-tetramethylbutyl)phenyl]aniline",CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1,CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1,"InChI=1/C28H43N/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18,29H,19-20H2,1-10H3",C28H43N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12279,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.182,GQBHYWDCHSZDQU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.189,239-824-2,15731-88-1,"Formic acid, cobalt salt",-,[Co+2].[O-]C=O,[Co+2].[O-]C=O,"InChI=1/CH2O2.Co/c2-1-3;/h1H,(H,2,3);/q;+2/p-1",CH2O2.xCo,,,,,,NUTBMRITFLSVJC-UHFFFAOYSA-M,,,,,,,,,,,
100.036.200,239-836-8,15743-20-1,Aluminium acrylate,aluminum triacrylate,[Al+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Al+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/3C3H4O2.Al/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3",C3H4O2.1/3Al,,,,,,LIQDVINWFSWENU-UHFFFAOYSA-K,,,,,,,,,,,
100.036.206,239-843-6,15753-50-1,"cis-1,2-cyclohexanedimethanol","cyclohexane-1,2-diyldimethanol",OC[C@@H]1CCCC[C@@H]1CO,OC[C@@H]1CCCC[C@@H]1CO,"InChI=1/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2",C8H16O2,,,,,,XDODWINGEHBYRT-OCAPTIKFSA-N,,,,,,,,,,,
100.041.061,245-184-5,22735-07-5,Diethyl L-cystinate dihydrochloride,diethyl L-cystinate dihydrochloride,Cl.Cl.CCOC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OCC,Cl.Cl.CCOC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OCC,"InChI=1/C10H20N2O4S2.2ClH/c1-3-15-9(13)7(11)5-17-18-6-8(12)10(14)16-4-2;;/h7-8H,3-6,11-12H2,1-2H3;2*1H",C10H20N2O4S2.2ClH,,,,,,BDJZWSLXDLQPNZ-FOMWZSOGSA-N,,,,,,,,,,,
100.041.062,245-185-0,22735-96-2,Ethylene bis(cyclohexanecarboxylate),"ethane-1,2-diyl dicyclohexanecarboxylate",O=C(OCCOC(=O)C1CCCCC1)C2CCCCC2,O=C(OCCOC(=O)C1CCCCC1)C2CCCCC2,"InChI=1/C16H26O4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h13-14H,1-12H2",C16H26O4,,,,,,WMSCACAHJOJUQN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.063,245-186-6,22735-97-3,2-(2-hydroxyethoxy)ethyl cyclohexanecarboxylate,2-(2-hydroxyethoxy)ethyl cyclohexanecarboxylate,OCCOCCOC(=O)C1CCCCC1,OCCOCCOC(=O)C1CCCCC1,"InChI=1/C11H20O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h10,12H,1-9H2",C11H20O4,,,,,,IBDLWKKCNXTUCC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.035,240-755-5,16703-52-9,Ethyl (dimethylamino)oxoacetate,ethyl (dimethylamino)(oxo)acetate,CCOC(=O)C(=O)N(C)C,CCOC(=O)C(=O)N(C)C,"InChI=1/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3",C6H11NO3,,,,,,HMALWDVRMHVUAW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.038,240-758-1,16709-86-7,(chloromethyl)dimethylvinylsilane,(chloromethyl)(dimethyl)vinylsilane,C[Si](C)(CCl)C=C,C[Si](C)(CCl)C=C,"InChI=1/C5H11ClSi/c1-4-7(2,3)5-6/h4H,1,5H2,2-3H3",C5H11ClSi,,,,,,SZZZMXFBEKWPBU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.039,240-759-7,16712-64-4,6-hydroxy-2-naphthoic acid,6-hydroxy-2-naphthoic acid,OC(=O)c1ccc2cc(O)ccc2c1,OC(=O)c1ccc2cc(O)ccc2c1,"InChI=1/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)",C11H8O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10731,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.039,KAUQJMHLAFIZDU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.042,240-762-3,16714-40-2,Tetrakis(2-methylphenyl) orthosilicate,tetrakis(2-methylphenyl) orthosilicate,Cc1ccccc1O[Si](Oc2ccccc2C)(Oc3ccccc3C)Oc4ccccc4C,Cc1ccccc1O[Si](Oc2ccccc2C)(Oc3ccccc3C)Oc4ccccc4C,"InChI=1/C28H28O4Si/c1-21-13-5-9-17-25(21)29-33(30-26-18-10-6-14-22(26)2,31-27-19-11-7-15-23(27)3)32-28-20-12-8-16-24(28)4/h5-20H,1-4H3",C28H28O4Si,,,,,,TWMWZRUDJDOLDG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.046,240-767-0,16714-77-5,"1,3-dichlorobutan-2-one","1,3-dichlorobutan-2-one",CC(Cl)C(=O)CCl,CC(Cl)C(=O)CCl,"InChI=1/C4H6Cl2O/c1-3(6)4(7)2-5/h3H,2H2,1H3",C4H6Cl2O,,,,,,HAOIWZWGAUKVBO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.047,240-768-6,16714-78-6,"1,4-dichlorobutan-2-one","1,4-dichlorobutan-2-one",ClCCC(=O)CCl,ClCCC(=O)CCl,InChI=1/C4H6Cl2O/c5-2-1-4(7)3-6/h1-3H2,C4H6Cl2O,,,,,,UDNZDMGFDFBONM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.053,240-774-9,16716-13-5,m-quinquephenyl,"1,1':3',1'':3'',1''':3''',1''''-quinquephenyl",c1ccc(cc1)c2cccc(c2)c3cccc(c3)c4cccc(c4)c5ccccc5,c1ccc(cc1)c2cccc(c2)c3cccc(c3)c4cccc(c4)c5ccccc5,InChI=1/C30H22/c1-3-10-23(11-4-1)25-14-7-16-27(20-25)29-18-9-19-30(22-29)28-17-8-15-26(21-28)24-12-5-2-6-13-24/h1-22H,C30H22,,,,,,XQCZQOSQCGDDPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.055,240-777-5,16721-39-4,trans-6-(isopropyl)-3-methylcyclohex-2-en-1-ol,6-isopropyl-3-methylcyclohex-2-en-1-ol,CC(C)[C@@H]1CCC(=C[C@H]1O)C,CC(C)[C@@H]1CCC(=C[C@H]1O)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3",C10H18O,,,,,,HPOHAUWWDDPHRS-VHSXEESVSA-N,,,,,,,,,,,
100.037.059,240-781-7,16725-98-7,"4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",CC1CC2C(CC1O)C2(C)C,CC1CC2C(CC1O)C2(C)C,"InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,WHXOMZVLSNHION-UHFFFAOYSA-N,,,,,,,,,,,
100.037.065,240-788-5,16728-01-1,1-(4-methoxyphenyl)cyclopropane-1-carboxylic acid,1-(4-methoxyphenyl)cyclopropanecarboxylic acid,COc1ccc(cc1)C2(CC2)C(=O)O,COc1ccc(cc1)C2(CC2)C(=O)O,"InChI=1/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)",C11H12O3,,,,,,WCPFQQHADRJANG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.067,240-790-6,16728-51-1,3-(decyloxy)propiononitrile,3-(decyloxy)propanenitrile,CCCCCCCCCCOCCC#N,CCCCCCCCCCOCCC#N,"InChI=1/C13H25NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h2-10,12-13H2,1H3",C13H25NO,,,,,,VBBZORLTUCTLEO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.070,240-793-2,16728-61-3,3-(hexyloxy)propylamine,3-(hexyloxy)propan-1-amine,CCCCCCOCCCN,CCCCCCOCCCN,"InChI=1/C9H21NO/c1-2-3-4-5-8-11-9-6-7-10/h2-10H2,1H3",C9H21NO,,,,,,NWGJTXNNXLHFSE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.072,240-795-3,16731-55-8,Dipotassium disulphite,dipotassium disulphite,[K+].[K+].[O-]S(=O)[O-].[O-]S(=O)[O-],[K+].[K+].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/2K.2H2O3S/c;;2*1-4(2)3/h;;2*(H2,1,2,3)/q2*+1;;/p-4",H2O5S2.2K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5221,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.072,SWOZBKIVGJJSDH-UHFFFAOYSA-J,,,,,,,,,,,
100.037.073,240-796-9,16731-68-3,2-undecyl-1H-imidazole,2-undecyl-1H-imidazole,CCCCCCCCCCCc1ncc[nH]1,CCCCCCCCCCCc1ncc[nH]1,"InChI=1/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)",C14H26N2,,,,,,LLEASVZEQBICSN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.081,240-806-1,16747-25-4,"2,2,3-trimethylhexane","2,2,3-trimethylhexane",CCCC(C)C(C)(C)C,CCCC(C)C(C)(C)C,"InChI=1/C9H20/c1-6-7-8(2)9(3,4)5/h8H,6-7H2,1-5H3",C9H20,,,,,,CBVFSZDQEHBJEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.353,242-204-4,18318-83-7,"(E)-1,1-dimethoxyhex-2-ene","1,1-dimethoxyhex-2-ene",CCC\\C=C\\C(OC)OC,CCC\C=C\C(OC)OC,"InChI=1/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3",C8H16O2,,,,,,OSVRJMZINDGZFB-VOTSOKGWSA-N,,,,,,,,,,,
100.038.368,242-221-7,18339-94-1,"2,2-dimethyl-1,3,6,9-tetraoxa-2-silacycloundecane","2,2-dimethyl-1,3,6,9-tetraoxa-2-silacycloundecane",C[Si]1(C)OCCOCCOCCO1,C[Si]1(C)OCCOCCOCCO1,"InChI=1/C8H18O4Si/c1-13(2)11-7-5-9-3-4-10-6-8-12-13/h3-8H2,1-2H3",C8H18O4Si,,,,,,UXWKDYXFUUBISW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.374,242-228-5,18358-53-7,"2,6,6-trimethylbicyclo[3.1.1]heptan-3-one","2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",CC1C2CC(CC1=O)C2(C)C,CC1C2CC(CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,MQPHVIPKLRXGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.375,235-627-0,12389-75-2,"Sodium hydrogen [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)",iron(3+) sodium [{2-[{2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino]acetate,[Fe+3].[Na+].OC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC([O-])=O,[Fe+3].[Na+].OC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC([O-])=O,"InChI=1/C14H23N3O10.Fe.Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;/q;+3;+1/p-4",C14H18FeN3O10.H.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12457,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.375,UEHRTZASQAWUOJ-UHFFFAOYSA-J,,,,,,,,,,,
100.035.757,239-350-6,15308-01-7,"2-chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide","2-chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide",ClCC(=O)N(c1ccccc1)c2c(Cl)cccc2Cl,ClCC(=O)N(c1ccccc1)c2c(Cl)cccc2Cl,"InChI=1/C14H10Cl3NO/c15-9-13(19)18(10-5-2-1-3-6-10)14-11(16)7-4-8-12(14)17/h1-8H,9H2",C14H10Cl3NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1920,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.757,BPEUHDIEZQWRGC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.760,239-353-2,15311-09-8,"2,5-bis(4-pyridyl)-1,3,4-thiadiazole","4,4'-(1,3,4-thiadiazole-2,5-diyl)dipyridine",c1cc(ccn1)c2nnc(s2)c3ccncc3,c1cc(ccn1)c2nnc(s2)c3ccncc3,InChI=1/C12H8N4S/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10/h1-8H,C12H8N4S,,,,,,UQDBUNOBHAOPPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.766,239-360-0,15323-35-0,"1,1,2,3,3,6-hexamethylindan-5-yl methyl ketone","1-(1,1,2,3,3,6-hexamethyl-2,3-dihydro-1H-inden-5-yl)ethanone",CC1C(C)(C)c2cc(C)c(cc2C1(C)C)C(=O)C,CC1C(C)(C)c2cc(C)c(cc2C1(C)C)C(=O)C,"InChI=1/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3",C17H24O,,,,,,VDBHOHJWUDKDRW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.773,239-367-9,15336-84-2,"1,3-bis(oxiranylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione","1,3-bis(oxiran-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione",O=C1N(CC2CO2)C(=O)C3(CCCCC3)N1CC4CO4,O=C1N(CC2CO2)C(=O)C3(CCCCC3)N1CC4CO4,"InChI=1/C14H20N2O4/c17-12-14(4-2-1-3-5-14)16(7-11-9-20-11)13(18)15(12)6-10-8-19-10/h10-11H,1-9H2",C14H20N2O4,,,,,,MHVHSPJEOYGUMB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.774,239-368-4,15336-98-8,Diallyldibutylstannane,diallyl(dibutyl)stannane,CCCC[Sn](CCCC)(CC=C)CC=C,CCCC[Sn](CCCC)(CC=C)CC=C,"InChI=1/2C4H9.2C3H5.Sn/c2*1-3-4-2;2*1-3-2;/h2*1,3-4H2,2H3;2*3H,1-2H2;/rC14H28Sn/c1-5-9-13-15(11-7-3,12-8-4)14-10-6-2/h7-8H,3-6,9-14H2,1-2H3",C14H28Sn,,,,,,LCGVYMRFNOWPGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.775,239-370-5,15337-18-5,Zinc bis(dipentyldithiocarbamate),zinc bis(dipentyldithiocarbamate),[Zn+2].CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-],[Zn+2].CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-],"InChI=1/2C11H23NS2.Zn/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,13,14);/q;;+2/p-2",C22H44N2S4Zn,,,,,,JGSUMMPGKPITGK-UHFFFAOYSA-L,,,,,,,,,,,
100.035.781,239-376-8,15341-08-9,6-nitropiperonyl alcohol,"(6-nitro-1,3-benzodioxol-5-yl)methanol",OCc1cc2OCOc2cc1[N+](=O)[O-],OCc1cc2OCOc2cc1[N+](=O)[O-],"InChI=1/C8H7NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-2,10H,3-4H2",C8H7NO5,,,,,,XSKQKDTZQNFCCB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.783,239-378-9,15347-55-4,Lead oleate,lead(4+) tetraoctadec-9-enoate,[Pb].OC(=O)CCCCCCC/C=C\\CCCCCCCC,[Pb].OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1/C18H34O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;;/q;+4;;/rC18H34O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H2/q;+4",C18H34O2.xPb,,,,,,PKOHMCZODHTQEB-KVVVOXFISA-N,,,,,,,,,,,
100.035.788,239-384-1,15351-09-4,Metamfepramone,2-(dimethylamino)-1-phenylpropan-1-one,CC(N(C)C)C(=O)c1ccccc1,CC(N(C)C)C(=O)c1ccccc1,"InChI=1/C11H15NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3",C11H15NO,,,,,,KBHMHROOFHVLBA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.791,239-387-8,15356-60-2,(+)-menthol,2-isopropyl-5-methylcyclohexanol,CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O,CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O,"InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",C10H20O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12128,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.791,NOOLISFMXDJSKH-UTLUCORTSA-N,,,,,,,,,,,
100.037.226,240-965-7,16915-78-9,Bolenol,17-ethylestr-5-en-17-ol,C[C@]43CC[C@H]2[C@@H](C\\C=C1\\CCCC[C@@H]12)[C@@H]4CC[C@]3(O)CC,C[C@]43CC[C@H]2[C@@H](C\C=C1\CCCC[C@@H]12)[C@@H]4CC[C@]3(O)CC,"InChI=1/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h8,15-18,21H,3-7,9-13H2,1-2H3",C20H32O,,,,,,VGXLQFPZGUQVQW-JBKQDOAHSA-N,,,,,,,,,,,
100.043.268,247-611-0,26322-14-5,Dihexadecyl peroxodicarbonate,"1,1'-[dioxybis(carbonyloxy)]dihexadecane",CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C34H66O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12051,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.268,QWVBGCWRHHXMRM-UHFFFAOYSA-N,,,,,,,,,,,
100.043.273,247-616-8,26330-65-4,6-ethyl-3-methyloct-6-en-1-ol,6-ethyl-3-methyloct-6-en-1-ol,CC=C(CCC(C)CCO)CC,CC=C(CCC(C)CCO)CC,"InChI=1/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h4,10,12H,5-9H2,1-3H3",C11H22O,,,,,,GTLKSTALFRGBQG-UHFFFAOYSA-N,,,,,,,,,,,
100.043.274,247-617-3,26332-10-5,5-methyl-5-piperonylhydantoin,"5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione",CC1(Cc2ccc3OCOc3c2)NC(=O)NC1=O,CC1(Cc2ccc3OCOc3c2)NC(=O)NC1=O,"InChI=1/C12H12N2O4/c1-12(10(15)13-11(16)14-12)5-7-2-3-8-9(4-7)18-6-17-8/h2-4H,5-6H2,1H3,(H2,13,14,15,16)",C12H12N2O4,,,,,,GLRYEKZAKBJMNV-UHFFFAOYSA-N,,,,,,,,,,,
100.043.280,247-624-1,26348-61-8,Ethyl L-serinate hydrochloride,ethyl L-serinate hydrochloride,Cl.CCOC(=O)[C@@H](N)CO,Cl.CCOC(=O)[C@@H](N)CO,"InChI=1/C5H11NO3.ClH/c1-2-9-5(8)4(6)3-7;/h4,7H,2-3,6H2,1H3;1H",C5H11NO3.ClH,,,,,,JZJQCLZQSHLSFB-WCCKRBBISA-N,,,,,,,,,,,
100.043.281,247-625-7,26348-70-9,Methyl L-lysinate dihydrochloride,methyl L-lysinate dihydrochloride,Cl.Cl.COC(=O)[C@@H](N)CCCCN,Cl.Cl.COC(=O)[C@@H](N)CCCCN,"InChI=1/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H",C7H16N2O2.2ClH,,,,,,SXZCBVCQHOJXDR-ILKKLZGPSA-N,,,,,,,,,,,
100.043.287,247-632-5,26370-28-5,"Nona-2,6-dienal","nona-2,6-dienal",CCC=CCCC=CC=O,CCC=CCCC=CC=O,"InChI=1/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3",C9H14O,,,,,,HZYHMHHBBBSGHB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.288,247-633-0,26371-07-3,Piperidine-1-propionic acid,3-piperidin-1-ylpropanoic acid,OC(=O)CCN1CCCCC1,OC(=O)CCN1CCCCC1,"InChI=1/C8H15NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h1-7H2,(H,10,11)",C8H15NO2,,,,,,LPDGWMLCUHULJF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.294,247-639-3,26378-73-4,"2,4,6-trichlororesorcinol","2,4,6-trichlorobenzene-1,3-diol",Oc1c(Cl)cc(Cl)c(O)c1Cl,Oc1c(Cl)cc(Cl)c(O)c1Cl,"InChI=1/C6H3Cl3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H",C6H3Cl3O2,,,,,,NHOATJNESSAPCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.005,244-022-0,20772-50-3,Bis[O-isopropyl-DL-methionine] fumarate,isopropyl L-methioninate but-2-enedioate (2:1),CSCC[C@H](N)C(=O)OC(C)C.CSCC[C@H](N)C(=O)OC(C)C.OC(=O)\\C=C\\C(=O)O,CSCC[C@H](N)C(=O)OC(C)C.CSCC[C@H](N)C(=O)OC(C)C.OC(=O)\C=C\C(=O)O,"InChI=1/2C8H17NO2S.C4H4O4/c2*1-6(2)11-8(10)7(9)4-5-12-3;5-3(6)1-2-4(7)8/h2*6-7H,4-5,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C8H17NO2S.1/2C4H4O4,,,,,,HJPAWJBAADASMW-NSSXTIIFSA-N,,,,,,,,,,,
100.040.011,244-028-3,20777-47-3,cis-1-methyl-4-(1-methylvinyl)cyclohexyl acetate,4-isopropenyl-1-methylcyclohexyl acetate,CC(=O)O[C@@]1(C)CC[C@H](CC1)C(=C)C,CC(=O)O[C@@]1(C)CC[C@H](CC1)C(=C)C,"InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3",C12H20O2,,,,,,URVNHQCLMBMWIW-TXEJJXNPSA-N,,,,,,,,,,,
100.040.015,244-033-0,20780-48-7,"3,7-dimethyloctan-3-yl acetate","1-ethyl-1,5-dimethylhexyl acetate",CCC(C)(CCCC(C)C)OC(=O)C,CCC(C)(CCCC(C)C)OC(=O)C,"InChI=1/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3",C12H24O2,,,,,,RBKRCARRXLFUGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.040.022,244-040-9,20788-07-2,Resorantel,"N-(4-bromophenyl)-2,6-dihydroxybenzamide",Oc1cccc(O)c1C(=O)Nc2ccc(Br)cc2,Oc1cccc(O)c1C(=O)Nc2ccc(Br)cc2,"InChI=1/C13H10BrNO3/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h1-7,16-17H,(H,15,18)",C13H10BrNO3,,,,,,IHYNKGRWCDKNEG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.026,244-045-6,20795-51-1,1-phenylpentan-3-one,1-phenylpentan-3-one,CCC(=O)CCc1ccccc1,CCC(=O)CCc1ccccc1,"InChI=1/C11H14O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C11H14O,,,,,,GLVAUXMKXKUEEA-UHFFFAOYSA-N,,,,,,,,,,,
100.040.030,244-049-8,20806-43-3,N-(benzyloxycarbonyl)-O-benzyl-L-serine,O-benzyl-N-[(benzyloxy)carbonyl]serine,OC(=O)[C@H](COCc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)[C@H](COCc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C18H19NO5/c20-17(21)16(13-23-11-14-7-3-1-4-8-14)19-18(22)24-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)",C18H19NO5,,,,,,CYYRLHUAMWRBHC-INIZCTEOSA-N,,,,,,,,,,,
100.040.031,244-050-3,20807-11-8,N-[[(phenylmethoxy)carbonyl]glycyl]-L-isoleucine,N-[(benzyloxy)carbonyl]glycyl-L-isoleucine,CCC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O,CCC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C16H22N2O5/c1-3-11(2)14(15(20)21)18-13(19)9-17-16(22)23-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)",C16H22N2O5,,,,,,YPXHSERXWVIZGK-IAXJKZSUSA-N,,,,,,,,,,,
100.036.210,239-847-8,15761-38-3,"N-[(1,1-dimethylethoxy)carbonyl]-L-alanine",N-(tert-butoxycarbonyl)-L-alanine,C[C@H](NC(=O)OC(C)(C)C)C(=O)O,C[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)",C8H15NO4,,,,,,QVHJQCGUWFKTSE-YFKPBYRVSA-N,,,,,,,,,,,
100.036.214,239-852-5,15763-48-1,3-heptyl-2-[(3-heptyl-4-methyl-3H-thiazol-2-ylidene)methyl]-4-methylthiazolium iodide,"3-heptyl-2-[(3-heptyl-4-methyl-1,3-thiazol-2(3H)-ylidene)methyl]-4-methyl-1,3-thiazol-3-ium iodide",[I-].CCCCCCC[n+]1c(scc1C)C=C2S\\C=C(\\C)N2CCCCCCC,[I-].CCCCCCC[n+]1c(scc1C)C=C2S\C=C(\C)N2CCCCCCC,"InChI=1/C23H39N2S2.HI/c1-5-7-9-11-13-15-24-20(3)18-26-22(24)17-23-25(21(4)19-27-23)16-14-12-10-8-6-2;/h17-19H,5-16H2,1-4H3;1H/q+1;/p-1",C23H39N2S2.I,,,,,,DQYSALLXMHVJAV-UHFFFAOYSA-M,,,,,,,,,,,
100.032.469,235-730-0,12627-14-4,"Silicic acid, lithium salt",lithium hydroxy(oxo)silanolate,[Li+].O[Si](=O)[O-],[Li+].O[Si](=O)[O-],InChI=1/Li.HO3Si/c;1-4(2)3/h;1H/q+1;-1,-,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11397,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.469,ABWXHLYIKXNYDW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.481,235-743-1,12645-53-3,"Phosphoric acid, isooctyl ester",6-methylheptyl dihydrogen phosphate,CC(C)CCCCCOP(=O)(O)O,CC(C)CCCCCOP(=O)(O)O,"InChI=1/C8H19O4P/c1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)",-,,,,,,RQINQJTUMGQYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.860,239-463-0,15445-34-8,Methyl L-lysinate hydrochloride,methyl L-lysinate hydrochloride,Cl.COC(=O)[C@@H](N)CCCCN,Cl.COC(=O)[C@@H](N)CCCCN,"InChI=1/C7H16N2O2.ClH/c1-11-7(10)6(9)4-2-3-5-8;/h6H,2-5,8-9H2,1H3;1H",C7H16N2O2.xClH,,,,,,FORVAIDSGSLRPX-RGMNGODLSA-N,,,,,,,,,,,
100.035.862,239-465-1,15448-58-5,"2,3-epoxy-2,3-dihydro-1,4-naphthoquinone","1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione",O=C1C2OC2C(=O)c3ccccc13,O=C1C2OC2C(=O)c3ccccc13,"InChI=1/C10H6O3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-10/h1-4,9-10H",C10H6O3,,,,,,TVVRFUOKLKGUKT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.865,239-468-8,15451-14-6,"3-(dimethylamino)-2,2-dimethylpropionaldehyde","3-(dimethylamino)-2,2-dimethylpropanal",CN(C)CC(C)(C)C=O,CN(C)CC(C)(C)C=O,"InChI=1/C7H15NO/c1-7(2,6-9)5-8(3)4/h6H,5H2,1-4H3",C7H15NO,,,,,,NYUOVICEZDPRBR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.869,239-473-5,15454-75-8,"Bis(5-oxo-L-prolinato-N1,O2)zinc",5-oxoproline,OC(=O)C1CCC(=O)N1,OC(=O)C1CCC(=O)N1,"InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)",C10H12N2O6Zn,,,,,,ODHCTXKNWHHXJC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.871,239-475-6,15457-18-8,"2,4'-dimethyl-2,2'-azodivaleronitrile",2-[(1-cyano-3-methylbutyl)diazenyl]-2-methylpentanenitrile,CC(C)CC(N=NC(C)(CCC)C#N)C#N,CC(C)CC(N=NC(C)(CCC)C#N)C#N,"InChI=1/C12H20N4/c1-5-6-12(4,9-14)16-15-11(8-13)7-10(2)3/h10-11H,5-7H2,1-4H3",C12H20N4,,,,,,CVLPHLARBKIAPB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.872,239-476-1,15457-97-3,Disodium silicate,disodium oxosilanediolate,[Na+].[Na+].[O-][Si](=O)[O-],[Na+].[Na+].[O-][Si](=O)[O-],InChI=1/2Na.O3Si/c;;1-4(2)3/q2*+1;-2,H4O4Si.2Na,,,,,,NTHWMYGWWRZVTN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.379,242-233-2,18362-51-1,"1,3-bis(4-methoxyphenyl)propane-1,3-dione","1,3-bis(4-methoxyphenyl)propane-1,3-dione",COc1ccc(cc1)C(=O)CC(=O)c2ccc(OC)cc2,COc1ccc(cc1)C(=O)CC(=O)c2ccc(OC)cc2,"InChI=1/C17H16O4/c1-20-14-7-3-12(4-8-14)16(18)11-17(19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3",C17H16O4,,,,,,GNMDORSUZRRMFS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.381,242-235-3,18362-97-5,Isopropyl valerate,isopropyl valerate,CCCCC(=O)OC(C)C,CCCCC(=O)OC(C)C,"InChI=1/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3",C8H16O2,,,,,,OCAIYHCKLADPEG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.382,242-236-9,18365-32-7,"1,1,1-trimethyldisilane","1,1,1-trimethyldisilane",C[Si](C)(C)[SiH3],C[Si](C)(C)[SiH3],"InChI=1/C3H12Si2/c1-5(2,3)4/h1-4H3",C3H12Si2,,,,,,ZVGUNGATIFIZOL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.384,242-239-5,18366-27-3,(Z)-1-[(octadec-9-enyloxy)methyl]propyl hydrogen sulphate,1-[(octadec-9-en-1-yloxy)methyl]propyl hydrogen sulfate,CCCCCCCC\\C=C/CCCCCCCCOCC(CC)OS(=O)(=O)O,CCCCCCCC\C=C/CCCCCCCCOCC(CC)OS(=O)(=O)O,"InChI=1/C22H44O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-22(4-2)27-28(23,24)25/h11-12,22H,3-10,13-21H2,1-2H3,(H,23,24,25)",C22H44O5S,,,,,,CXECSFAECLYBNS-QXMHVHEDSA-N,,,,,,,,,,,
100.038.387,242-242-1,18368-76-8,2-chloro-3-methylpyridine,2-chloro-3-methylpyridine,Cc1cccnc1Cl,Cc1cccnc1Cl,"InChI=1/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3",C6H6ClN,,,,,,RKVUCIFREKHYTL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.389,242-244-2,18369-83-0,S-methyl chlorothioformate,S-methyl chlorothiocarbonate,CSC(=O)Cl,CSC(=O)Cl,InChI=1/C2H3ClOS/c1-5-2(3)4/h1H3,C2H3ClOS,,,,,,YPSUCTSXOROPBS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.391,242-246-3,18371-13-6,2-ethyl-2-methylbutan-1-ol,2-ethyl-2-methylbutan-1-ol,CCC(C)(CC)CO,CCC(C)(CC)CO,"InChI=1/C7H16O/c1-4-7(3,5-2)6-8/h8H,4-6H2,1-3H3",C7H16O,,,,,,KMWHQWJVSALJAW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.821,236-119-1,13172-31-1,Disulphur dibromide,disulphur dibromide,[SH4+2].[SH4+2].[Br-].[Br-],[SH4+2].[SH4+2].[Br-].[Br-],InChI=1/2BrH.2H4S/h2*1H;2*1H4/q;;2*+2/p-2,Br2S2,,,,,,UANIZAYPWRQUPX-UHFFFAOYSA-L,,,,,,,,,,,
100.032.824,236-122-8,13175-44-5,Oct-7-en-1-ol,oct-7-en-1-ol,OCCCCCCC=C,OCCCCCCC=C,"InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h2,9H,1,3-8H2",C8H16O,,,,,,WXPWPYISTQCNDP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.082,240-807-7,16747-26-5,"2,2,4-trimethylhexane","2,2,4-trimethylhexane",CCC(C)CC(C)(C)C,CCC(C)CC(C)(C)C,"InChI=1/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3",C9H20,,,,,,AFTPEBDOGXRMNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.046,234-164-1,10575-26-5,5-(diethylamino)pent-3-yn-2-ol,5-(diethylamino)pent-3-yn-2-ol,CCN(CC)CC#CC(C)O,CCN(CC)CC#CC(C)O,"InChI=1/C9H17NO/c1-4-10(5-2)8-6-7-9(3)11/h9,11H,4-5,8H2,1-3H3",C9H17NO,,,,,,ZBCYIXSZVFKXMB-UHFFFAOYSA-N,,,,,,,,,,,
100.031.053,234-172-5,10579-83-6,"Sulphurous acid, sodium salt",sodium hydrogen sulfite,[Na+].OS(=O)[O-],[Na+].OS(=O)[O-],"InChI=1/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",H2O3S.xNa,,,,,,DWAQJAXMDSEUJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.031.059,234-178-8,10580-80-0,"Bis(2,4,6-trinitrophenyl) sulphone","1,1'-sulfonylbis(2,4,6-trinitrobenzene)",[O-][N+](=O)c1cc(c(c(c1)[N+](=O)[O-])S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(c(c1)[N+](=O)[O-])S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H4N6O14S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)33(31,32)12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H",C12H4N6O14S,,,,,,LBSKWFDEDNVDAU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.063,234-183-5,10581-37-0,"(±)-a,a,4-trimethylcyclohex-3-ene-1-methyl acetate",1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate,CC(=O)OC(C)(C)C1CCC(=CC1)C,CC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,,,,,,IGODOXYLBBXFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.031.065,234-185-6,10583-73-0,"5,6-diacetoxy-L-ascorbic acid","1-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)ethane-1,2-diyl diacetate (non-preferred name)",CC(=O)OCC(OC(=O)C)C1OC(=O)C(=C1O)O,CC(=O)OCC(OC(=O)C)C1OC(=O)C(=C1O)O,"InChI=1/C10H12O8/c1-4(11)16-3-6(17-5(2)12)9-7(13)8(14)10(15)18-9/h6,9,13-14H,3H2,1-2H3",C10H12O8,,,,,,ZKNBGGQFSSARJS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.072,234-192-4,10588-15-5,Isopulegyl formate,2-isopropenyl-5-methylcyclohexyl formate,CC1CCC(C(C1)OC=O)C(=C)C,CC1CCC(C(C1)OC=O)C(=C)C,"InChI=1/C11H18O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7,9-11H,1,4-6H2,2-3H3",C11H18O2,,,,,,PPCFFEDGKDEJFV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.073,234-194-5,10589-79-4,"(5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diyl dipropionate","17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dipropanoate",CCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)CC)c5O[C@@H]1[C@]2(CCN3C)c45,CCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)CC)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C23H27NO5/c1-4-18(25)27-16-8-6-13-12-15-14-7-9-17(28-19(26)5-2)22-23(14,10-11-24(15)3)20(13)21(16)29-22/h6-9,14-15,17,22H,4-5,10-12H2,1-3H3",C23H27NO5,,,,,,MTPLCRHXXMCRGG-KARMISDFSA-N,,,,,,,,,,,
100.031.075,234-196-6,10591-84-1,"N,N'-dimethyldiphenylthiuram disulphide",[methyl({[methyl(phenyl)carbamothioyl]disulfanyl}carbonothioyl)amino]benzene,CN(C(=S)SSC(=S)N(C)c1ccccc1)c2ccccc2,CN(C(=S)SSC(=S)N(C)c1ccccc1)c2ccccc2,"InChI=1/C16H16N2S4/c1-17(13-9-5-3-6-10-13)15(19)21-22-16(20)18(2)14-11-7-4-8-12-14/h3-12H,1-2H3",C16H16N2S4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5813,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.075,RDQQCSOIXMZZQR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.078,234-199-2,10592-65-1,Quingestanol,"3-(cyclopentyloxy)-17-ethynylestra-3,5-dien-17-ol",C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@H]34)OC5CCCC5)[C@@H]1CC[C@@]2(O)C#C,C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@H]34)OC5CCCC5)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C25H34O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,8,16,18,20-23,26H,4-7,9-15H2,2H3",C25H34O2,,,,,,PCJFRMOEZQQSAX-AIOSZGMZSA-N,,,,,,,,,,,
100.031.080,234-201-1,10595-06-9,2-phenoxyethyl methacrylate,2-phenoxyethyl methacrylate,CC(=C)C(=O)OCCOc1ccccc1,CC(=C)C(=O)OCCOc1ccccc1,"InChI=1/C12H14O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3",C12H14O3,,,,,,CEXQWAAGPPNOQF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.081,234-202-7,10595-09-2,"3,3'-thiodipropan-1-ol","3,3'-sulfanediyldipropan-1-ol",OCCCSCCCO,OCCCSCCCO,"InChI=1/C6H14O2S/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2",C6H14O2S,,,,,,QRQVZZMTKYXEKC-UHFFFAOYSA-N,,,,,,,,,,,
100.031.084,234-205-3,10595-60-5,"N,N'-bis(1,3-dimethylbutylidene)-2,2'-iminobis(ethylamine)","N-(1,3-dimethylbutylidene)-N'-{2-[(1,3-dimethylbutylidene)amino]ethyl}ethane-1,2-diamine",CC(C)C\\C(=N\\CCNCC\\N=C(/C)\\CC(C)C)\\C,CC(C)C\C(=N\CCNCC\N=C(/C)\CC(C)C)\C,"InChI=1/C16H33N3/c1-13(2)11-15(5)18-9-7-17-8-10-19-16(6)12-14(3)4/h13-14,17H,7-12H2,1-6H3",C16H33N3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5862,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.084,CJAGRJAFLCPABV-GTLAIDDRSA-N,,,,,,,,,,,
100.033.521,236-889-9,13533-18-1,Oleyl acrylate,octadec-9-en-1-yl acrylate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)C=C,CCCCCCCC\C=C/CCCCCCCCOC(=O)C=C,"InChI=1/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4,11-12H,2-3,5-10,13-20H2,1H3",C21H38O2,,,,,,ASAPXSLRMDUMFX-QXMHVHEDSA-N,,,,,,,,,,,
100.033.532,236-901-2,13537-10-5,Europium phosphate,europium phosphate,[Eu+2].[Eu+2].[Eu+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Eu+2].[Eu+2].[Eu+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3Eu.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",Eu.H3O4P,,,,,,FEHWILWCIYBTEH-UHFFFAOYSA-H,,,,,,,,,,,
100.037.227,240-966-2,16917-05-8,"1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, calcium salt",-,[Ca+2].ClN1C(=O)NC(=O)N(Cl)C1=O,[Ca+2].ClN1C(=O)NC(=O)N(Cl)C1=O,"InChI=1/C3HCl2N3O3.Ca/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+2",C3HCl2N3O3.1/2Ca,,,,,,CUGNEDNHVUZFTH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.231,240-970-4,16919-31-6,Ammonium hexafluorozirconate,diammonium hexafluorozirconate(2-),[NH4+].[NH4+].F[Zr-2](F)(F)(F)(F)F,[NH4+].[NH4+].F[Zr-2](F)(F)(F)(F)F,"InChI=1/6FH.2H3N.Zr/h6*1H;2*1H3;/q;;;;;;;;+4/p-4/rF6Zr.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",F6Zr.2H4N,,,,,,LPFRXGDQGULMEN-UHFFFAOYSA-J,,,,,,,,,,,
100.037.234,240-974-6,16919-73-6,Dipotassium hexachloropalladate,dipotassium hexachloropalladate(2-),[K+].[K+].Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rCl6Pd.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",Cl6Pd.2K,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18917,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.234,OEDRXJBJMMJUSV-UHFFFAOYSA-H,,,,,,,,,,,
100.037.242,240-983-5,16923-58-3,Disodium hexachloroplatinate,disodium hexachloroplatinate(2-),[Na+].[Na+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,[Na+].[Na+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rCl6Pt.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",Cl6Pt.2Na,,,,,,QGFSULIVEYGQQY-UHFFFAOYSA-H,,,,,,,,,,,
100.037.247,240-988-2,16924-51-9,Disodium hexafluorostannate(2-),disodium hexafluorostannate(2-),[Na+].[Na+].F[Sn-2](F)(F)(F)(F)F,[Na+].[Na+].F[Sn-2](F)(F)(F)(F)F,"InChI=1/6FH.2Na.Sn/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rF6Sn.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Sn.2Na,,,,,,UMGSFZGNYYDQSL-UHFFFAOYSA-H,,,,,,,,,,,
100.037.248,240-989-8,16925-25-0,Sodium hexafluoroantimonate,sodium hexafluoroantimonate(1-),[Na+].F[Sb-](F)(F)(F)(F)F,[Na+].F[Sb-](F)(F)(F)(F)F,"InChI=1/6FH.Na.Sb/h6*1H;;/q;;;;;;+1;+5/p-6/rF6Sb.Na/c1-7(2,3,4,5)6;/q-1;+1",F6Sb.Na,,,,,,HKLMYZVMEYYVBS-UHFFFAOYSA-H,,,,,,,,,,,
100.032.750,236-041-8,13115-40-7,"10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulphonamide monomethanesulphonate","10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulfonamide methanesulfonate",CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C.CS(=O)(=O)O,CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C.CS(=O)(=O)O,"InChI=1/C19H25N3O2S2.CH4O3S/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;1-5(2,3)4/h6-12,14H,13H2,1-5H3;1H3,(H,2,3,4)",C19H25N3O2S2.CH4O3S,,,,,,JGKVKXPDDVRUKC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.751,236-042-3,13116-21-7,N-(N-glycyl-3-phenyl-L-alanyl)-3-phenyl-L-alanine,glycylphenylalanyl-L-phenylalanine,NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,"InChI=1/C20H23N3O4/c21-13-18(24)22-16(11-14-7-3-1-4-8-14)19(25)23-17(20(26)27)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,22,24)(H,23,25)(H,26,27)",C20H23N3O4,,,,,,FEUPVVCGQLNXNP-IRXDYDNUSA-N,,,,,,,,,,,
100.032.755,236-047-0,13118-11-1,1-methylpyrrolidin-3-yl cyclopentylphenylglycolate,1-methylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate,CN1CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3,CN1CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3,"InChI=1/C18H25NO3/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3",C18H25NO3,,,,,,OVGMKPGXRHJNKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.756,236-048-6,13120-77-9,Methyl 5-nitro-o-tolyl ether,2-methoxy-1-methyl-4-nitrobenzene,COc1cc(ccc1C)[N+](=O)[O-],COc1cc(ccc1C)[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3",C8H9NO3,,,,,,WVQGZNRUEVFXKR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.757,236-049-1,13121-70-5,Cyhexatin,tricyclohexylstannanol,O[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3,O[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3,"InChI=1/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1/rC18H34OSn/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-19H,1-15H2",C18H34OSn,,,,,,WCMMILVIRZAPLE-UHFFFAOYSA-M,,,,,,,,,,,
100.032.760,236-052-8,13122-99-1,N-[N-[(phenylmethoxy)carbonyl]-L-phenylalanyl]glycine,N-[(benzyloxy)carbonyl]-L-phenylalanylglycine,OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C19H20N2O5/c22-17(23)12-20-18(24)16(11-14-7-3-1-4-8-14)21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23)",C19H20N2O5,,,,,,OEIUAJRTESSOCC-INIZCTEOSA-N,,,,,,,,,,,
100.032.762,236-054-9,13123-01-8,N-[N-[(phenylmethoxy)carbonyl]-L-phenylalanyl]-L-isoleucine,N-[(benzyloxy)carbonyl]-L-phenylalanyl-L-isoleucine,CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)O,CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)O,"InChI=1/C23H28N2O5/c1-3-16(2)20(22(27)28)25-21(26)19(14-17-10-6-4-7-11-17)24-23(29)30-15-18-12-8-5-9-13-18/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)",C23H28N2O5,,,,,,LFHIOOBWQJBUPB-RFFXKOPCSA-N,,,,,,,,,,,
100.032.763,236-055-4,13124-17-9,"2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2ccc(Cl)c(Cl)c2,CC1=NN(C(=O)C1)c2ccc(Cl)c(Cl)c2,"InChI=1/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)7-2-3-8(11)9(12)5-7/h2-3,5H,4H2,1H3",C10H8Cl2N2O,,,,,,NPLZMVKJNPOHRL-UHFFFAOYSA-N,,,,,,,,,,,
100.040.035,244-055-0,20812-19-5,"Tris[2,4,6-tris(1-phenylethyl)phenyl] phosphate","tris[2,4,6-tris(1-phenylethyl)phenyl] phosphate",CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(OP(=O)(Oc4c(cc(cc4C(C)c5ccccc5)C(C)c6ccccc6)C(C)c7ccccc7)Oc8c(cc(cc8C(C)c9ccccc9)C(C)c%10ccccc%10)C(C)c%11ccccc%11)c(c2)C(C)c%12ccccc%12,CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(OP(=O)(Oc4c(cc(cc4C(C)c5ccccc5)C(C)c6ccccc6)C(C)c7ccccc7)Oc8c(cc(cc8C(C)c9ccccc9)C(C)c%10ccccc%10)C(C)c%11ccccc%11)c(c2)C(C)c%12ccccc%12,"InChI=1/C90H87O4P/c1-61(70-37-19-10-20-38-70)79-55-82(64(4)73-43-25-13-26-44-73)88(83(56-79)65(5)74-45-27-14-28-46-74)92-95(91,93-89-84(66(6)75-47-29-15-30-48-75)57-80(62(2)71-39-21-11-22-40-71)58-85(89)67(7)76-49-31-16-32-50-76)94-90-86(68(8)77-51-33-17-34-52-77)59-81(63(3)72-41-23-12-24-42-72)60-87(90)69(9)78-53-35-18-36-54-78/h10-69H,1-9H3",C90H87O4P,,,,,,CHWPDGUIAXMYEK-UHFFFAOYSA-N,,,,,,,,,,,
100.040.036,244-056-6,20815-27-4,2-heptylpyridine,2-heptylpyridine,CCCCCCCc1ccccn1,CCCCCCCc1ccccn1,"InChI=1/C12H19N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h7-8,10-11H,2-6,9H2,1H3",C12H19N,,,,,,DYCPESWJKDONHC-UHFFFAOYSA-N,,,,,,,,,,,
100.040.043,244-063-4,20824-56-0,Diammonium dihydrogen ethylenediaminetetraacetate,"diammonium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[NH4+].[NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[NH4+].[NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H3/p-2",C10H16N2O8.2H3N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2141,https://echa.europa.eu/substance-information/-/substanceinfo/100.040.043,KYQODXQIAJFKPH-UHFFFAOYSA-L,,,,,,,,,,,
100.040.045,244-066-0,20827-47-8,"(5a,6a)-3,6-bis(acetoxy)-7,8-didehydro-4,5-epoxymorphinan-17-carbonitrile","17-cyano-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate",CC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)C)c5O[C@@H]1[C@]2(CCN3C#N)c45,CC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)C)c5O[C@@H]1[C@]2(CCN3C#N)c45,"InChI=1/C21H20N2O5/c1-11(24)26-16-5-3-13-9-15-14-4-6-17(27-12(2)25)20-21(14,7-8-23(15)10-22)18(13)19(16)28-20/h3-6,14-15,17,20H,7-9H2,1-2H3",C21H20N2O5,,,,,,WGKXVAROYWUSEW-PVHGPHFFSA-N,,,,,,,,,,,
100.040.047,244-068-1,20830-75-5,Digoxin,"3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C,"InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3",C41H64O14,,,,,,LTMHDMANZUZIPE-PUGKRICDSA-N,,,,,,,,,,,
100.040.049,244-070-2,20831-76-9,"(5R-trans)-6-(ß-D-glucopyranosyloxy)-5,6-dihydro-5-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one","1-oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl beta-D-glucopyranoside",C=C[C@H]/2C(O\\C=C1/C\\2=C\\COC1=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O,C=C[C@H]/2C(O\C=C1/C\2=C\COC1=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O,"InChI=1/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2",C16H20O9,,,,,,DUAGQYUORDTXOR-OZLUGHNBSA-N,,,,,,,,,,,
100.039.670,243-653-9,20262-58-2,Disodium 6-acetamido-4-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate,disodium 6-acetamido-4-hydroxy-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc3c(cc2ccc(cc2c3O)NC(C)=O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc3c(cc2ccc(cc2c3O)NC(C)=O)S([O-])(=O)=O,"InChI=1/C20H19N3O11S3.2Na/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H19N3O11S3.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10445,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.670,DHHGSXPASZBLGC-UHFFFAOYSA-L,,,,,,,,,,,
100.039.675,243-659-1,20267-15-6,Dinonyl phenyl phosphite,dinonyl phenyl phosphite,CCCCCCCCCOP(OCCCCCCCCC)Oc1ccccc1,CCCCCCCCCOP(OCCCCCCCCC)Oc1ccccc1,"InChI=1/C24H43O3P/c1-3-5-7-9-11-13-18-22-25-28(27-24-20-16-15-17-21-24)26-23-19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3",C24H43O3P,,,,,,IMUKAHJVORJFEM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.676,243-660-7,20267-20-3,Ethylene dipivalate,"ethane-1,2-diyl bis(2,2-dimethylpropanoate)",CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C,CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C,"InChI=1/C12H22O4/c1-11(2,3)9(13)15-7-8-16-10(14)12(4,5)6/h7-8H2,1-6H3",C12H22O4,,,,,,CECHHHFZXNTPMP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.683,243-668-0,20275-70-1,Sodium 2-hydroxydecanesulphonate,sodium 2-hydroxydecane-1-sulfonate,[Na+].CCCCCCCCC(O)CS(=O)(=O)[O-],[Na+].CCCCCCCCC(O)CS(=O)(=O)[O-],"InChI=1/C10H22O4S.Na/c1-2-3-4-5-6-7-8-10(11)9-15(12,13)14;/h10-11H,2-9H2,1H3,(H,12,13,14);/q;+1/p-1",C10H22O4S.Na,,,,,,QLWTYLFOABKZDR-UHFFFAOYSA-M,,,,,,,,,,,
100.039.687,243-672-2,20279-21-4,"1,2,3,10b-tetrahydrofluoranthene","1,2,3,10b-tetrahydrofluoranthene",C1CC2c3ccccc3c4cccc(C1)c24,C1CC2c3ccccc3c4cccc(C1)c24,"InChI=1/C16H14/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-3,5,7-9,15H,4,6,10H2",C16H14,,,,,,VMBZUGDYWLFLEU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.690,243-675-9,20279-49-6,Pentyl 4-oxovalerate,pentyl 4-oxopentanoate,CCCCCOC(=O)CCC(=O)C,CCCCCOC(=O)CCC(=O)C,"InChI=1/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3",C10H18O3,,,,,,NLDFWNCRMVSDMC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.702,243-689-5,20287-37-0,Fenquizone,"7-chloro-4-oxo-2-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide",NS(=O)(=O)c1cc2C(=O)NC(Nc2cc1Cl)c3ccccc3,NS(=O)(=O)c1cc2C(=O)NC(Nc2cc1Cl)c3ccccc3,"InChI=1/C14H12ClN3O3S/c15-10-7-11-9(6-12(10)22(16,20)21)14(19)18-13(17-11)8-4-2-1-3-5-8/h1-7,13,17H,(H,18,19)(H2,16,20,21)",C14H12ClN3O3S,,,,,,DBDTUXMDTSTPQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.829,236-128-0,13177-52-1,Ammonium decyl sulphate,ammonium decyl sulfate,[NH4+].CCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C10H22O4S.H3N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);1H3",C10H22O4S.H3N,,,,,,VPDKMELSVLIAOG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.835,236-134-3,13184-27-5,N-carbamoylaspartic acid,N-carbamoylaspartic acid,NC(=O)NC(CC(=O)O)C(=O)O,NC(=O)NC(CC(=O)O)C(=O)O,"InChI=1/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)",C5H8N2O5,,,,,,HLKXYZVTANABHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.837,236-136-4,13184-86-6,4-(ethoxymethyl)-2-methoxyphenol,4-(ethoxymethyl)-2-methoxyphenol,CCOCc1ccc(O)c(OC)c1,CCOCc1ccc(O)c(OC)c1,"InChI=1/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3",C10H14O3,,,,,,KOCVACNWDMSLBM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.845,236-145-3,13190-34-6,5-vinyloxazolidine-2-thione,"5-vinyl-1,3-oxazolidine-2-thione",C=CC1CNC(=S)O1,C=CC1CNC(=S)O1,"InChI=1/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)",C5H7NOS,,,,,,UZQVYLOFLQICCT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.846,236-146-9,13190-50-6,[p-(dimethylamino)phenyl]lithium,[4-(dimethylamino)phenyl]lithium,[Li]c1ccc(cc1)N(C)C,[Li]c1ccc(cc1)N(C)C,"InChI=1/C8H10N.Li/c1-9(2)8-6-4-3-5-7-8;/h4-7H,1-2H3;/rC8H10LiN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3",C8H10LiN,,,,,,CGXZZFXDSYNSBH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.848,236-149-5,13192-12-6,Disodium 4-dodecyl 2-sulphonatosuccinate,disodium 4-(dodecyloxy)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-15(17)13-14(16(18)19)24(20,21)22;;/h14H,2-13H2,1H3,(H,18,19)(H,20,21,22);;/q;2*+1/p-2",C16H30O7S.2Na,,,,,,YGAXLGGEEQLLKV-UHFFFAOYSA-L,,,,,,,,,,,
100.032.850,236-151-6,13192-40-0,"Zinc bis(O,O-di-sec-butyl) bis(dithiophosphate)","zinc bis(O,O-di-sec-butyl dithiophosphate)",CCC(C)OP(=S)(OC(C)CC)S[Zn]SP(=S)(OC(C)CC)OC(C)CC,CCC(C)OP(=S)(OC(C)CC)S[Zn]SP(=S)(OC(C)CC)OC(C)CC,"InChI=1/2C8H19O2PS2.Zn/c2*1-5-7(3)9-11(12,13)10-8(4)6-2;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2/rC16H36O4P2S4Zn/c1-9-13(5)17-21(23,18-14(6)10-2)25-27-26-22(24,19-15(7)11-3)20-16(8)12-4/h13-16H,9-12H2,1-8H3",C8H19O2PS2.1/2Zn,,,,,,YCZRDSHWVTZTBC-UHFFFAOYSA-L,,,,,,,,,,,
100.032.853,236-154-2,13194-68-8,4-iodo-o-toluidine,4-iodo-2-methylaniline,Cc1cc(I)ccc1N,Cc1cc(I)ccc1N,"InChI=1/C7H8IN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3",C7H8IN,,,,,,BGKLFAQCHHCZRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.855,236-156-3,13195-64-7,Diisopropyl malonate,diisopropyl malonate,CC(C)OC(=O)CC(=O)OC(C)C,CC(C)OC(=O)CC(=O)OC(C)C,"InChI=1/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3",C9H16O4,,,,,,QRVSDVDFJFKYKA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.857,236-158-4,13195-73-8,"3-octylpentane-2,4-dione","3-octylpentane-2,4-dione",CCCCCCCCC(C(=O)C)C(=O)C,CCCCCCCCC(C(=O)C)C(=O)C,"InChI=1/C13H24O2/c1-4-5-6-7-8-9-10-13(11(2)14)12(3)15/h13H,4-10H2,1-3H3",C13H24O2,,,,,,KOMWCCYRQJBJDF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.865,236-167-3,13201-46-2,2-methyl-2-butenoic acid,2-methylbut-2-enoic acid,CC(=CC)C(O)=O,CC(=CC)C(O)=O,"InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)",C5H8O2,,,,,,UIERETOOQGIECD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.867,236-169-4,13205-46-4,4-isopropoxybenzoic acid,4-isopropoxybenzoic acid,CC(C)Oc1ccc(cc1)C(=O)O,CC(C)Oc1ccc(cc1)C(=O)O,"InChI=1/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)",C10H12O3,,,,,,ZVERWTXKKWSSHH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.227,239-866-1,15773-36-1,4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]phenyl]azo]-3-hydroxy-2-naphthoic acid,4-{[4-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)phenyl]diazenyl}-3-hydroxy-2-naphthoic acid,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4ccccc4cc(C(O)=O)c3O,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4ccccc4cc(C(O)=O)c3O,"InChI=1/C27H25N5O5/c33-15-13-32(14-16-34)22-11-9-21(10-12-22)29-28-19-5-7-20(8-6-19)30-31-25-23-4-2-1-3-18(23)17-24(26(25)35)27(36)37/h1-12,17,33-35H,13-16H2,(H,36,37)",C27H25N5O5,,,,,,MGGBSIKFUGTNBB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.233,239-872-4,15776-59-7,3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride,3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-chromen-2-one hydrochloride,Cl.CCN(CC)CCC1=C(C)c2ccc(O)cc2OC1=O,Cl.CCN(CC)CCC1=C(C)c2ccc(O)cc2OC1=O,"InChI=1/C16H21NO3.ClH/c1-4-17(5-2)9-8-14-11(3)13-7-6-12(18)10-15(13)20-16(14)19;/h6-7,10,18H,4-5,8-9H2,1-3H3;1H",C16H21NO3.ClH,,,,,,RLJNKMCFVQMDFR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.241,239-881-3,15785-09-8,Cerium trihydroxide,cerium(3+) trihydroxide,[OH-].[OH-].[OH-].[Ce+3],[OH-].[OH-].[OH-].[Ce+3],InChI=1/Ce.3H2O/h;3*1H2/q+3;;;/p-3,CeH3O3,,,,,,UNJPQTDTZAKTFK-UHFFFAOYSA-K,,,,,,,,,,,
100.036.243,239-883-4,15785-59-8,Dicyclohexyl tartrate,dicyclohexyl tartarate,OC(C(O)C(=O)OC1CCCCC1)C(=O)OC2CCCCC2,OC(C(O)C(=O)OC1CCCCC1)C(=O)OC2CCCCC2,"InChI=1/C16H26O6/c17-13(15(19)21-11-7-3-1-4-8-11)14(18)16(20)22-12-9-5-2-6-10-12/h11-14,17-18H,1-10H2",C16H26O6,,,,,,UXHUJQMSTNOTRT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.538,236-908-0,13537-24-1,Iron triperchlorate,iron(3+) triperchlorate,[Fe+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Fe+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Fe/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Fe,,,,,,LHOWRPZTCLUDOI-UHFFFAOYSA-K,,,,,,,,,,,
100.033.542,236-912-2,13539-13-4,"2,5-bis(octyldithio)-1,3,4-thiadiazole","2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole",CCCCCCCCSSc1nnc(SSCCCCCCCC)s1,CCCCCCCCSSc1nnc(SSCCCCCCCC)s1,"InChI=1/C18H34N2S5/c1-3-5-7-9-11-13-15-21-24-17-19-20-18(23-17)25-22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C18H34N2S5,,,,,,ZFOMEJJNWNWWIB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.544,236-914-3,13544-07-5,Methyl (2-nitro-4-trifluorobenzyl)acetate,methyl [2-nitro-4-(trifluoromethyl)phenyl]acetate,COC(=O)Cc1ccc(cc1N(=O)=O)C(F)(F)F,COC(=O)Cc1ccc(cc1N(=O)=O)C(F)(F)F,"InChI=1/C10H8F3NO4/c1-18-9(15)4-6-2-3-7(10(11,12)13)5-8(6)14(16)17/h2-3,5H,4H2,1H3",C10H8F3NO4,,,,,,WFQOIJIXNFOYCM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.071,245-195-5,22748-58-9,"3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-one","3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-2-(3-methylbutanoyl)-5-(3-methylbutyl)cyclopent-2-en-1-one",CC(C)CCC(O)C1(O)C(CCC(C)C)C(=O)C(=C1O)C(=O)CC(C)C,CC(C)CCC(O)C1(O)C(CCC(C)C)C(=O)C(=C1O)C(=O)CC(C)C,"InChI=1/C21H36O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h12-15,17,23,25-26H,7-11H2,1-6H3",C21H36O5,,,,,,FUTYYOXQMQKWGM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.073,245-197-6,22752-98-3,1-(4-pyridyl)pyridinium chloride,1-pyridin-4-ylpyridinium chloride,[Cl-].c1cc[n+](cc1)c2ccncc2,[Cl-].c1cc[n+](cc1)c2ccncc2,InChI=1/C10H9N2.ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;/h1-9H;1H/q+1;/p-1,C10H9N2.Cl,,,,,,GEIZYPUHEGXPEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.041.079,245-203-7,22760-18-5,Proquazone,1-isopropyl-7-methyl-4-phenylquinazolin-2(1H)-one,CC(C)N1C(=O)N=C(c2ccccc2)c3ccc(C)cc13,CC(C)N1C(=O)N=C(c2ccccc2)c3ccc(C)cc13,"InChI=1/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3",C18H18N2O,,,,,,JTIGKVIOEQASGT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.081,245-205-8,22766-83-2,2-octyldodecyl myristate,2-octyldodecyl myristate,CCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,"InChI=1/C34H68O2/c1-4-7-10-13-16-18-19-20-22-25-28-31-34(35)36-32-33(29-26-23-15-12-9-6-3)30-27-24-21-17-14-11-8-5-2/h33H,4-32H2,1-3H3",C34H68O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15809,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.081,BGRXBNZMPMGLQI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.083,245-207-9,22766-85-4,2-octyldodecyl decanoate,2-octyldodecyl decanoate,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCC,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCC,"InChI=1/C30H60O2/c1-4-7-10-13-16-18-20-23-26-29(25-22-19-15-12-9-6-3)28-32-30(31)27-24-21-17-14-11-8-5-2/h29H,4-28H2,1-3H3",C30H60O2,,,,,,FABRFZGGMAHNCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.086,245-211-0,22767-90-4,"1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione","1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione",CC(C)(C)C(=O)CC(=O)C(F)(F)F,CC(C)(C)C(=O)CC(=O)C(F)(F)F,"InChI=1/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3",C8H11F3O2,,,,,,BVPKYBMUQDZTJH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.087,245-212-6,22775-12-8,"4-hydroxy-3,5-dimethoxy-a-[(methylamino)methyl]benzyl alcohol hydrochloride","4-[1-hydroxy-2-(methylamino)ethyl]-2,6-dimethoxyphenol hydrochloride",Cl.CNCC(O)c1cc(OC)c(O)c(OC)c1,Cl.CNCC(O)c1cc(OC)c(O)c(OC)c1,"InChI=1/C11H17NO4.ClH/c1-12-6-8(13)7-4-9(15-2)11(14)10(5-7)16-3;/h4-5,8,12-14H,6H2,1-3H3;1H",C11H17NO4.ClH,,,,,,JERDKEKGVRFMRD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.088,245-213-1,22775-37-7,"3,5-dichloro-o-anisic acid","3,5-dichloro-2-methoxybenzoic acid",COc1c(Cl)cc(Cl)cc1C(=O)O,COc1c(Cl)cc(Cl)cc1C(=O)O,"InChI=1/C8H6Cl2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12)",C8H6Cl2O3,,,,,,AUVSCSCAPKFMEK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.093,245-218-9,22788-49-4,2-methoxybenzhydryl alcohol,(2-methoxyphenyl)(phenyl)methanol,COc1ccccc1C(O)c2ccccc2,COc1ccccc1C(O)c2ccccc2,"InChI=1/C14H14O2/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10,14-15H,1H3",C14H14O2,,,,,,FYFYNXNAKOEXDV-UHFFFAOYSA-N,,,,,,,,,,,
100.041.098,245-224-1,22794-26-9,Dodecyl 5-oxo-L-prolinate,dodecyl 5-oxo-L-prolinate,CCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-17(20)15-12-13-16(19)18-15/h15H,2-14H2,1H3,(H,18,19)",C17H31NO3,,,,,,HJXPPCPJEYUQFQ-HNNXBMFYSA-N,,,,,,,,,,,
100.037.089,240-815-0,16752-77-5,Methomyl,methyl N-[(methylcarbamoyl)oxy]ethanimidothioate,CC(=NOC(=O)NC)SC,CC(=NOC(=O)NC)SC,"InChI=1/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)",C5H10N2O2S,,,,,,UHXUZOCRWCRNSJ-UHFFFAOYSA-N,Positive,EA294201|EA294202|EA294203|EA294204|EA294205|EA294206|EA294207|EA294208|EA294209|EA294210|EA294211|EA294212|EA294213|EA294214,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,122.0271:88.0216:65.0056|88.0216:106.0321:65.0055|88.0215:106.0322:65.0056|88.0216:106.0322:58.0288|88.0216:106.0321:72.9981|88.0216:72.9981:106.0321|72.9981:88.0216:106.0321|88.0216:106.0322:65.0056|88.0215:106.0321:65.0056|88.0215:106.0321:58.0287|88.0215:106.0322:72.9981|88.0215:106.0321:72.9981|72.998:88.0215:58.0287|122.027:88.0215:65.0055,Eawag,,,,,
100.037.099,240-826-0,16773-42-5,Ornidazole,1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,"InChI=1/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3",C7H10ClN3O3,,,,,,IPWKIXLWTCNBKN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.764,236-057-5,13124-18-0,"(3,4-dichlorophenyl)hydrazine","(3,4-dichlorophenyl)hydrazine",NNc1ccc(Cl)c(Cl)c1,NNc1ccc(Cl)c(Cl)c1,"InChI=1/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2",C6H6Cl2N2,,,,,,YMJSQPNVQRHZDW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.765,236-058-0,13124-69-1,"4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",CC1CC2C(CC1=O)C2(C)C,CC1CC2C(CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,ABSCYWMYRVUUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.769,236-062-2,13127-82-7,"(Z)-2,2'-(octadec-9-enylimino)bisethanol","2,2'-(octadec-9-en-1-ylimino)diethanol",CCCCCCCC\\C=C/CCCCCCCCN(CCO)CCO,CCCCCCCC\C=C/CCCCCCCCN(CCO)CCO,"InChI=1/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3",C22H45NO2,,,,,,BITAPBDLHJQAID-KTKRTIGZSA-N,,,,,,,,,,,
100.032.771,236-064-3,13129-35-6,Furan-2-thiol,furan-2-thiol,Sc1occc1,Sc1occc1,"InChI=1/C4H4OS/c6-4-2-1-3-5-4/h1-3,6H",C4H4OS,,,,,,CMDKYFGIJALPLS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.125,239-754-2,15677-90-4,Dibutyl dodecanedioate,dibutyl dodecanedioate,CCCCOC(=O)CCCCCCCCCCC(=O)OCCCC,CCCCOC(=O)CCCCCCCCCCC(=O)OCCCC,"InChI=1/C20H38O4/c1-3-5-17-23-19(21)15-13-11-9-7-8-10-12-14-16-20(22)24-18-6-4-2/h3-18H2,1-2H3",C20H38O4,,,,,,PYWJUJAIGZXCMW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.126,239-755-8,15679-09-1,2-ethylthiazole,"2-ethyl-1,3-thiazole",CCc1nccs1,CCc1nccs1,"InChI=1/C5H7NS/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3",C5H7NS,,,,,,CGZDWVZMOMDGBN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.143,239-774-1,15686-83-6,Pyrantel,"1-methyl-2-[2-(2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine",CN2CCC\\N=C2\\C=Cc1cccs1,CN2CCC\N=C2\C=Cc1cccs1,"InChI=1/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3",C11H14N2S,,,,,,YSAUAVHXTIETRK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.151,239-783-0,15687-22-6,Folescutol,"6,7-dihydroxy-4-(morpholin-4-ylmethyl)-2H-chromen-2-one",Oc1cc2OC(=O)C=C(CN3CCOCC3)c2cc1O,Oc1cc2OC(=O)C=C(CN3CCOCC3)c2cc1O,"InChI=1/C14H15NO5/c16-11-6-10-9(8-15-1-3-19-4-2-15)5-14(18)20-13(10)7-12(11)17/h5-7,16-17H,1-4,8H2",C14H15NO5,,,,,,FZRNEERXGKQYPH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.158,239-790-9,15696-43-2,"Octanoic acid, lead salt",-,[Pb].OC(=O)CCCCCCC,[Pb].OC(=O)CCCCCCC,"InChI=1/C8H16O2.Pb.2H/c1-2-3-4-5-6-7-8(9)10;;;/h2-7H2,1H3,(H,9,10);;;/q;+4;;/rC8H16O2.H2Pb/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);1H2/q;+4",C8H16O2.xPb,,,,,,VQPKAMAVKYTPLB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.160,239-793-5,15699-18-0,Diammonium nickel bis(sulphate),diammonium nickel bis(sulphate),[NH4+].[NH4+].[Ni+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[Ni+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2H3N.Ni.2H2O4S/c;;;2*1-5(2,3)4/h2*1H3;;2*(H2,1,2,3,4)/q;;+2;;/p-2",H3N.H2O4S.1/2Ni,,,,,,DAPUDVOJPZKTSI-UHFFFAOYSA-L,,,,,,,,,,,
100.036.162,239-795-6,15702-05-3,Trisodium hexachloroiridate,-,[Na+].[Na+].[Na+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,[Na+].[Na+].[Na+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Ir.3Na/h6*1H;;;;/q;;;;;;+4;3*+1/p-6/rCl6Ir.3Na/c1-7(2,3,4,5)6;;;/q-2;3*+1",Cl6Ir.3Na,,,,,,UURSLLAHFGNGAX-UHFFFAOYSA-H,,,,,,,,,,,
100.036.167,239-800-1,15707-24-1,"2,3-diethylpyrazine","2,3-diethylpyrazine",CCc1nccnc1CC,CCc1nccnc1CC,"InChI=1/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3",C8H12N2,,,,,,GZXXANJCCWGCSV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.172,239-805-9,15715-41-0,"O,O-diethyl methylphosphonite",diethyl methylphosphonite,CCOP(C)OCC,CCOP(C)OCC,"InChI=1/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3",C5H13O2P,,,,,,NSSMTQDEWVTEKN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.173,239-806-4,15717-25-6,Sodium 3-sulphonatopropyl acrylate,sodium 3-(acryloyloxy)propane-1-sulfonate,[Na+].[O-]S(=O)(=O)CCCOC(=O)C=C,[Na+].[O-]S(=O)(=O)CCCOC(=O)C=C,"InChI=1/C6H10O5S.Na/c1-2-6(7)11-4-3-5-12(8,9)10;/h2H,1,3-5H2,(H,8,9,10);/q;+1/p-1",C6H10O5S.Na,,,,,,LDYPJGUPKKJBIB-UHFFFAOYSA-M,,,,,,,,,,,
100.036.174,239-808-5,15717-29-0,Tetracyclohexyl orthosilicate,tetracyclohexyl orthosilicate,C1CCC(CC1)O[Si](OC2CCCCC2)(OC3CCCCC3)OC4CCCCC4,C1CCC(CC1)O[Si](OC2CCCCC2)(OC3CCCCC3)OC4CCCCC4,"InChI=1/C24H44O4Si/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h21-24H,1-20H2",C24H44O4Si,,,,,,KKZOJPJHWKWAID-UHFFFAOYSA-N,,,,,,,,,,,
100.032.406,235-661-6,12432-30-3,"Cerium, compound with iron (1:5)",cerium - iron (1:5),[Fe].[Fe].[Fe].[Fe].[Fe].[Ce],[Fe].[Fe].[Fe].[Fe].[Fe].[Ce],InChI=1/Ce.5Fe/q+3;5*+2,Ce.Fe,,,,,,AXDFCDBCSJACRS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.412,235-667-9,12436-94-1,Triammonium nitrate sulphate,triammonium nitrate sulphate,[NH4+].[NH4+].[NH4+].[O-][N+](=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[NH4+].[O-][N+](=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/NO3.3H3N.H2O4S/c2-1(3)4;;;;1-5(2,3)4/h;3*1H3;(H2,1,2,3,4)/q-1;;;;/p+1",H12N4O7S,,,,,,KKEOZWYTZSNYLJ-UHFFFAOYSA-O,,,,,,,,,,,
100.039.710,243-697-9,20292-08-4,2-ethylhexyl laurate,2-ethylhexyl laurate,CCCCCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C20H40O2/c1-4-7-9-10-11-12-13-14-15-17-20(21)22-18-19(6-3)16-8-5-2/h19H,4-18H2,1-3H3",C20H40O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15908,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.710,LWLRMRFJCCMNML-UHFFFAOYSA-N,,,,,,,,,,,
100.039.711,243-698-4,20292-09-5,Dodecyl octanoate,dodecyl octanoate,CCCCCCCCCCCCOC(=O)CCCCCCC,CCCCCCCCCCCCOC(=O)CCCCCCC,"InChI=1/C20H40O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h3-19H2,1-2H3",C20H40O2,,,,,,OYQTUTLMOLEYNR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.713,243-701-9,20294-29-5,1-methylindan-4-ol,1-methylindan-4-ol,CC1CCc2c(O)cccc12,CC1CCc2c(O)cccc12,"InChI=1/C10H12O/c1-7-5-6-9-8(7)3-2-4-10(9)11/h2-4,7,11H,5-6H2,1H3",C10H12O,,,,,,VQCXOLDXRRLVAF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.664,248-046-2,26847-01-8,2-chloro-4-methylthiazole,"2-chloro-4-methyl-1,3-thiazole",Cc1csc(Cl)n1,Cc1csc(Cl)n1,"InChI=1/C4H4ClNS/c1-3-2-7-4(5)6-3/h2H,1H3",C4H4ClNS,,,,,,SYDUUJIIXIOTQT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.665,248-047-8,26847-34-7,"3-(p-chlorophenyl)-2-ethyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-3-ol","3-(4-chlorophenyl)-2-ethyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-3-ol",CCC1SC2=NCCN2C1(O)c3ccc(Cl)cc3,CCC1SC2=NCCN2C1(O)c3ccc(Cl)cc3,"InChI=1/C13H15ClN2OS/c1-2-11-13(17,9-3-5-10(14)6-4-9)16-8-7-15-12(16)18-11/h3-6,11,17H,2,7-8H2,1H3",C13H15ClN2OS,,,,,,GHIYMSVUXQLJSA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.669,248-052-5,26850-24-8,"1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione","1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(CCO)C(=O)N(CCO)C1=O,CC1(C)N(CCO)C(=O)N(CCO)C1=O,"InChI=1/C9H16N2O4/c1-9(2)7(14)10(3-5-12)8(15)11(9)4-6-13/h12-13H,3-6H2,1-2H3",C9H16N2O4,,,,,,ATIAIEWDRRJGSL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.682,248-066-1,26858-65-1,"Disodium 4,4'-bis[(4,6-diamino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].Nc1nc(N)nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(N)nc(N)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,[Na+].[Na+].Nc1nc(N)nc(Nc2ccc(\C=C\c3ccc(Nc4nc(N)nc(N)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,"InChI=1/C20H20N12O6S2.2Na/c21-15-27-16(22)30-19(29-15)25-11-5-3-9(13(7-11)39(33,34)35)1-2-10-4-6-12(8-14(10)40(36,37)38)26-20-31-17(23)28-18(24)32-20;;/h1-8H,(H,33,34,35)(H,36,37,38)(H5,21,22,25,27,29,30)(H5,23,24,26,28,31,32);;/q;2*+1/p-2",C20H20N12O6S2.2Na,,,,,,YQJJAPXXIRNMRI-SEPHDYHBSA-L,,,,,,,,,,,
100.043.683,248-067-7,26861-87-0,"1,3,4-thiadiazol-2-amine monohydrochloride","1,3,4-thiadiazol-2-amine hydrochloride",Cl.Nc1nncs1,Cl.Nc1nncs1,"InChI=1/C2H3N3S.ClH/c3-2-5-4-1-6-2;/h1H,(H2,3,5);1H",C2H3N3S.ClH,,,,,,UYXCIXMHIMUJHI-UHFFFAOYSA-N,,,,,,,,,,,
100.043.687,248-071-9,26864-39-1,2-ethylhexyl [(tributylstannyl)thio]acetate,2-ethylhexyl [(tributylstannyl)sulfanyl]acetate,CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)CCCC,CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)CCCC,"InChI=1/C10H20O2S.3C4H9.Sn/c1-3-5-6-9(4-2)7-12-10(11)8-13;3*1-3-4-2;/h9,13H,3-8H2,1-2H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC22H46O2SSn/c1-6-11-15-21(10-5)19-24-22(23)20-25-26(16-12-7-2,17-13-8-3)18-14-9-4/h21H,6-20H2,1-5H3",C22H46O2SSn,,,,,,IUUATANFBYYKTE-UHFFFAOYSA-M,,,,,,,,,,,
100.043.690,248-075-0,26867-92-5,"N,N',N''-tris(dodecyl)-1,3,5-triazine-2,4,6-triamine","N,N',N''-tridodecyl-1,3,5-triazine-2,4,6-triamine",CCCCCCCCCCCCNc1nc(NCCCCCCCCCCCC)nc(NCCCCCCCCCCCC)n1,CCCCCCCCCCCCNc1nc(NCCCCCCCCCCCC)nc(NCCCCCCCCCCCC)n1,"InChI=1/C39H78N6/c1-4-7-10-13-16-19-22-25-28-31-34-40-37-43-38(41-35-32-29-26-23-20-17-14-11-8-5-2)45-39(44-37)42-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3,(H3,40,41,42,43,44,45)",C39H78N6,,,,,,JVJAEQNZSBELCT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.695,248-080-8,26878-12-6,Ethyl fluorene-9-carboxylate,ethyl 9H-fluorene-9-carboxylate,CCOC(=O)C1c2ccccc2c3ccccc13,CCOC(=O)C1c2ccccc2c3ccccc13,"InChI=1/C16H14O2/c1-2-18-16(17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,2H2,1H3",C16H14O2,,,,,,DAOQKFHSVVIUKC-UHFFFAOYSA-N,,,,,,,,,,,
100.043.699,248-085-5,26878-37-5,2-[(5-amino-2-pyridyl)amino]ethanol dihydrochloride,2-[(5-aminopyridin-2-yl)amino]ethanol dihydrochloride,Cl.Cl.Nc1ccc(NCCO)nc1,Cl.Cl.Nc1ccc(NCCO)nc1,"InChI=1/C7H11N3O.2ClH/c8-6-1-2-7(10-5-6)9-3-4-11;;/h1-2,5,11H,3-4,8H2,(H,9,10);2*1H",C7H11N3O.2ClH,,,,,,GPBKWRNFPIUFRW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.702,248-088-1,26887-03-6,10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine sulphate,10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine sulfate,CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1.OS(=O)(=O)O,CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1.OS(=O)(=O)O,"InChI=1/C21H24F3N3S.H2O4S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;(H2,1,2,3,4)",C21H24F3N3S.xH2O4S,,,,,,TWSQOCXOYJMUOT-UHFFFAOYSA-N,,,,,,,,,,,
100.043.706,248-092-3,26896-18-4,Isononanoic acid,7-methyloctanoic acid,CC(C)CCCCCC(=O)O,CC(C)CCCCCC(=O)O,"InChI=1/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",C9H18O2,,,,,,XZOYHFBNQHPJRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.244,239-885-5,15786-37-5,"(4E,8Z)-dodeca-4,8-dienedial","dodeca-4,8-dienedial",O=CCC\\C=C/CC\\C=C\\CCC=O,O=CCC\C=C/CC\C=C\CCC=O,"InChI=1/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h3-6,11-12H,1-2,7-10H2",C12H18O2,,,,,,CIGZZLYQLQLUQO-CIIODKQPSA-N,,,,,,,,,,,
100.036.248,239-889-7,15790-15-5,"Methyl 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate","methyl 4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate",COC(=O)c1ccc(cc1)N=NC3C(\\C)=N/N(c2ccccc2)C3=O,COC(=O)c1ccc(cc1)N=NC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C18H16N4O3/c1-12-16(17(23)22(21-12)15-6-4-3-5-7-15)20-19-14-10-8-13(9-11-14)18(24)25-2/h3-11,16H,1-2H3",C18H16N4O3,,,,,,QJGOOFISESXSNF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.005,241-822-1,17869-31-7,"Dichloromethyl(2,4,4-trimethylpentyl)silane","(dichloromethyl)(2,4,4-trimethylpentyl)silane",CC(C[SiH2]C(Cl)Cl)CC(C)(C)C,CC(C[SiH2]C(Cl)Cl)CC(C)(C)C,"InChI=1/C9H20Cl2Si/c1-7(5-9(2,3)4)6-12-8(10)11/h7-8H,5-6,12H2,1-4H3",C9H20Cl2Si,,,,,,LZTFHCKWEADDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.006,241-823-7,17869-77-1,"[(1,1-dimethyl-2-propynyl)oxy]trimethylsilane","[(1,1-dimethylprop-2-yn-1-yl)oxy](trimethyl)silane",CC(C)(O[Si](C)(C)C)C#C,CC(C)(O[Si](C)(C)C)C#C,"InChI=1/C8H16OSi/c1-7-8(2,3)9-10(4,5)6/h1H,2-6H3",C8H16OSi,,,,,,JNRUXZIXAXHXTN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.008,241-825-8,17872-56-9,3-hydroxy-2-(hydroxymethyl)-2-methyl-2'-phenylpropionohydrazide,3-hydroxy-2-(hydroxymethyl)-2-methyl-N'-phenylpropanehydrazide,CC(CO)(CO)C(=O)NNc1ccccc1,CC(CO)(CO)C(=O)NNc1ccccc1,"InChI=1/C11H16N2O3/c1-11(7-14,8-15)10(16)13-12-9-5-3-2-4-6-9/h2-6,12,14-15H,7-8H2,1H3,(H,13,16)",C11H16N2O3,,,,,,QXVQVTBWOPOSTG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.012,241-830-5,17878-39-6,Methylphenylvinylsilane,methyl(phenyl)vinylsilane,C[SiH](C=C)c1ccccc1,C[SiH](C=C)c1ccccc1,"InChI=1/C9H12Si/c1-3-10(2)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3",C9H12Si,,,,,,JNRFDZNGKYQSKV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.491,235-754-1,12654-97-6,Triazine,"4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine",Clc1ccccc1Nc2nc(Cl)nc(Cl)n2,Clc1ccccc1Nc2nc(Cl)nc(Cl)n2,"InChI=1/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)",C3H3N3,,,,,,IMHBYKMAHXWHRP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.497,235-760-4,12671-25-9,"Cerium, compound with magnesium (1:2)",cerium - magnesium (1:2),[MgH2].[MgH2].[Ce],[MgH2].[MgH2].[Ce],InChI=1/Ce.2Mg.4H/q+3;2*+2;;;;/rCe.2H2Mg/h;2*1H2/q+3;2*+2,Ce.Mg,,,,,,OLULSUFKCDQJSE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.002,237-417-4,13777-25-8,Zirconium tetrabromide,zirconium tetrabromide,[Br-].[Br-].[Br-].[Br-].[Zr+2].[Zr+2],[Br-].[Br-].[Br-].[Br-].[Zr+2].[Zr+2],InChI=1/4BrH.2Zr/h4*1H;;/q;;;;2*+2/p-4,Br4Zr,,,,,,ZWYYMIIWCOPFMZ-UHFFFAOYSA-J,,,,,,,,,,,
100.034.029,237-447-8,13789-27-0,"1,2,4-triazole-3-sulphonic acid","4H-1,2,4-triazole-3-sulfonic acid",OS(=O)(=O)c1nnc[nH]1,OS(=O)(=O)c1nnc[nH]1,"InChI=1/C2H3N3O3S/c6-9(7,8)2-3-1-4-5-2/h1H,(H,3,4,5)(H,6,7,8)",C2H3N3O3S,,,,,,OWYWZFDZZRRXCR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.035,237-454-6,13799-90-1,"2,5-dichloroterephthalic acid","2,5-dichloroterephthalic acid",OC(=O)c1cc(Cl)c(cc1Cl)C(=O)O,OC(=O)c1cc(Cl)c(cc1Cl)C(=O)O,"InChI=1/C8H4Cl2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)",C8H4Cl2O4,,,,,,LMOSYFZLPBHEOW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.394,242-250-5,18373-31-4,"Glycerol 1,3-dipropionate","2-hydroxypropane-1,3-diyl dipropanoate",CCC(=O)OCC(O)COC(=O)CC,CCC(=O)OCC(O)COC(=O)CC,"InChI=1/C9H16O5/c1-3-8(11)13-5-7(10)6-14-9(12)4-2/h7,10H,3-6H2,1-2H3",C9H16O5,,,,,,BQNHSMJWMBBIEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.397,242-253-1,18375-59-2,N-hexyl-D-gluconamide,"N-hexyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C12H25NO6/c1-2-3-4-5-6-13-12(19)11(18)10(17)9(16)8(15)7-14/h8-11,14-18H,2-7H2,1H3,(H,13,19)",C12H25NO6,,,,,,WMZPVFOBKVXTGO-CHWFTXMASA-N,,,,,,,,,,,
100.038.401,242-257-3,18375-64-9,N-tetradecyl-D-gluconamide,"2,3,4,5,6-pentahydroxy-N-tetradecylhexanamide (non-preferred name)",CCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C20H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-20(27)19(26)18(25)17(24)16(23)15-22/h16-19,22-26H,2-15H2,1H3,(H,21,27)",C20H41NO6,,,,,,UJDMIHIBQDGSFG-AKHDSKFASA-N,,,,,,,,,,,
100.038.404,242-261-5,18378-20-6,7-nitro-N-(benzyl)benzofurazan-4-amine,"N-benzyl-7-nitro-2,1,3-benzoxadiazol-4-amine",O=N(=O)c1ccc(NCc2ccccc2)c3nonc13,O=N(=O)c1ccc(NCc2ccccc2)c3nonc13,"InChI=1/C13H10N4O3/c18-17(19)11-7-6-10(12-13(11)16-20-15-12)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2",C13H10N4O3,,,,,,GZFKJMWBKTUNJS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.406,242-263-6,18381-45-8,"4,4-diethoxybutanenitrile","4,4-diethoxybutanenitrile",CCOC(CCC#N)OCC,CCOC(CCC#N)OCC,"InChI=1/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-6H2,1-2H3",C8H15NO2,,,,,,DRZCPHGVEATLFR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.107,240-834-4,16803-97-7,4-amino-N-(4-aminophenyl)benzenesulphonamide,4-amino-N-(4-aminophenyl)benzenesulfonamide,Nc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1,Nc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1,"InChI=1/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2",C12H13N3O2S,,,,,,LWOAIKNLRVQTFT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.110,240-838-6,16808-63-2,"1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2,CC1C2Cc3ccc(O)cc3C1(C)CCN2,"InChI=1/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3",C14H19NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18486,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.110,DXESFJJJWBHLJX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.115,240-843-3,16822-06-3,cis-hexahydro-3-methylenebenzofuran-2(3H)-one,3-methylenehexahydro-1-benzofuran-2(3H)-one,C=C1[C@H]2CCCC[C@H]2OC1=O,C=C1[C@H]2CCCC[C@H]2OC1=O,"InChI=1/C9H12O2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h7-8H,1-5H2",C9H12O2,,,,,,JZULHXPIDKRFAY-HTQZYQBOSA-N,,,,,,,,,,,
100.037.116,240-844-9,16823-51-1,"1-amino-4-[[3-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-{[3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)O)n5)c4)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)O)n5)c4)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)",C29H20ClN7O11S3,,,,,,NSDSIQGBHACTLY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.118,240-847-5,16824-14-9,"3-methylbuta-1,3-dien-2-yl acetate",2-methyl-1-methyleneprop-2-en-1-yl acetate,CC(=C)C(=C)OC(=O)C,CC(=C)C(=C)OC(=O)C,"InChI=1/C7H10O2/c1-5(2)6(3)9-7(4)8/h1,3H2,2,4H3",C7H10O2,,,,,,IPFWQVCMDDZCMA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.119,240-848-0,16824-81-0,Zinc dipicrate,"zinc bis(2,4,6-trinitrophenolate)",[Zn+2].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Zn+2].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/2C6H3N3O7.Zn/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+2/p-2",C6H3N3O7.1/2Zn,,,,,,CJDKMIIOFVCHNV-UHFFFAOYSA-L,,,,,,,,,,,
100.037.123,240-852-2,16830-40-3,"Lauric acid, compound with 2-aminoethanol (1:1)",dodecanoic acid - 2-aminoethanol (1:1),CCCCCCCCCCCC(=O)O.NCCO,CCCCCCCCCCCC(=O)O.NCCO,"InChI=1/C12H24O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3-1-2-4/h2-11H2,1H3,(H,13,14);4H,1-3H2",C12H24O2.C2H7NO,,,,,,XVJSTCOYGMBYPE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.097,234-220-5,10601-19-1,5-methoxyindole-3-carbaldehyde,5-methoxy-1H-indole-3-carbaldehyde,COc1ccc2[nH]cc(C=O)c2c1,COc1ccc2[nH]cc(C=O)c2c1,"InChI=1/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3",C10H9NO2,,,,,,TUWARWGEOHQXCO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.100,234-223-1,10601-80-6,"Ethyl 3,3-diethoxypropionate","ethyl 3,3-diethoxypropanoate",CCOC(CC(=O)OCC)OCC,CCOC(CC(=O)OCC)OCC,"InChI=1/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3",C9H18O4,,,,,,SIALOQYKFQEKOG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.104,234-227-3,10603-92-6,Trimethyl(vinyl)ammonium bromide,"N,N,N-trimethylethenaminium bromide",[Br-].C[N+](C)(C)C=C,[Br-].C[N+](C)(C)C=C,"InChI=1/C5H12N.BrH/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1",C5H12N.Br,,,,,,IDVSELVVGYIOEX-UHFFFAOYSA-M,,,,,,,,,,,
100.031.109,234-233-6,10605-24-0,"2-methyl-2-propylpropane-1,3-diyl dinitrate",2-methyl-2-[(nitrooxy)methyl]pentyl nitrate (non-preferred name),CCCC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-],CCCC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-],"InChI=1/C7H14N2O6/c1-3-4-7(2,5-14-8(10)11)6-15-9(12)13/h3-6H2,1-2H3",C7H14N2O6,,,,,,BLJBDLGFKNXUCB-UHFFFAOYSA-N,,,,,,,,,,,
100.031.250,234-389-5,11138-45-7,"Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol","3-hydroxy-2,2-bis(hydroxymethyl)propyl heptanoate",CCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C12H24O5/c1-2-3-4-5-6-11(16)17-10-12(7-13,8-14)9-15/h13-15H,2-10H2,1H3",-,,,,,,PBHMHFVAFKKQIA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.253,234-392-1,11138-60-6,"Decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate","2,2-bis[(octanoyloxy)methyl]butyl decanoate",CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,"InChI=1/C32H60O6/c1-5-9-12-15-16-19-22-25-31(35)38-28-32(8-4,26-36-29(33)23-20-17-13-10-6-2)27-37-30(34)24-21-18-14-11-7-3/h5-28H2,1-4H3",-,,,,,,SRVFLHGEWWJTBH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.546,236-916-4,13545-67-0,Ethyl orange,4-{[4-(diethylamino)phenyl]diazenyl}benzenesulfonic acid,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,"InChI=1/C16H19N3O3S/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22/h5-12H,3-4H2,1-2H3,(H,20,21,22)",C16H19N3O3S.K,,,,,,OORQUAGUOJMPCS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.429,235-686-2,12516-51-7,"Cobalt, compound with neodymium (7:2)",cobalt - neodymium (7:2),[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Nd].[Nd],[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Nd].[Nd],InChI=1/7Co.2Nd/q7*+2;2*+3,Co.Nd,,,,,,PQBZOACINOLXFB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.801,239-398-8,15361-86-1,"3-ethyl-1,1-dimethylthiourea","3-ethyl-1,1-dimethylthiourea",CCNC(=S)N(C)C,CCNC(=S)N(C)C,"InChI=1/C5H12N2S/c1-4-6-5(8)7(2)3/h4H2,1-3H3,(H,6,8)",C5H12N2S,,,,,,VKFXRBZSVGYYSA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.802,239-399-3,15362-40-0,"1-(2,6-dichlorophenyl)-1,3-dihydro-2H-indol-2-one","1-(2,6-dichlorophenyl)-1,3-dihydro-2H-indol-2-one",Clc1cccc(Cl)c1N2C(=O)Cc3ccccc23,Clc1cccc(Cl)c1N2C(=O)Cc3ccccc23,"InChI=1/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2",C14H9Cl2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18390,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.802,JCICIFOYVSPMHG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.807,239-404-9,15371-06-9,3-acetamidophthalic acid,3-acetamidophthalic acid,CC(=O)Nc1cccc(C(=O)O)c1C(=O)O,CC(=O)Nc1cccc(C(=O)O)c1C(=O)O,"InChI=1/C10H9NO5/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)",C10H9NO5,,,,,,ONSCGVISIRLDJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.808,239-405-4,15373-31-6,"2,2,3-trimethylcyclopent-3-enylacetonitrile","(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile",CC1=CCC(CC#N)C1(C)C,CC1=CCC(CC#N)C1(C)C,"InChI=1/C10H15N/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9H,5-6H2,1-3H3",C10H15N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17229,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.808,YYJOTFQPYNOYAB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.810,239-408-0,15384-63-1,"Methyl 4,6-O-benzylidene-a-D-galactopyranoside, bis(toluene-p-sulphonate)","methyl 4,6-O-benzylidene-2,3-bis-O-[(4-methylphenyl)sulfonyl]hexopyranoside",COC1OC2COC(OC2C(OS(=O)(=O)c3ccc(C)cc3)C1OS(=O)(=O)c4ccc(C)cc4)c5ccccc5,COC1OC2COC(OC2C(OS(=O)(=O)c3ccc(C)cc3)C1OS(=O)(=O)c4ccc(C)cc4)c5ccccc5,"InChI=1/C28H30O10S2/c1-18-9-13-21(14-10-18)39(29,30)37-25-24-23(17-34-27(36-24)20-7-5-4-6-8-20)35-28(33-3)26(25)38-40(31,32)22-15-11-19(2)12-16-22/h4-16,23-28H,17H2,1-3H3",C28H30O10S2,,,,,,MPNMHFPNHIKNOA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.812,239-410-1,15386-80-8,"2-cyano-N-(3,4-dichlorophenyl)acetamide","2-cyano-N-(3,4-dichlorophenyl)acetamide",Clc1ccc(NC(=O)CC#N)cc1Cl,Clc1ccc(NC(=O)CC#N)cc1Cl,"InChI=1/C9H6Cl2N2O/c10-7-2-1-6(5-8(7)11)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)",C9H6Cl2N2O,,,,,,HXXDPDIVNQZPCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.831,239-431-6,15420-81-2,Hexyl hydrogen maleate,4-(hexyloxy)-4-oxobut-2-enoic acid,CCCCCCOC(=O)\\C=C/C(=O)O,CCCCCCOC(=O)\C=C/C(=O)O,"InChI=1/C10H16O4/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h6-7H,2-5,8H2,1H3,(H,11,12)",C10H16O4,,,,,,RNERBJNDXXEXTK-SREVYHEPSA-N,,,,,,,,,,,
100.035.835,239-435-8,15421-88-2,2-diethylaminoethyl a-cyclopentyl-a-2-thienylglycollate,2-(diethylamino)ethyl cyclopentyl(hydroxy)2-thienylacetate,CCN(CC)CCOC(=O)C(O)(C1CCCC1)c2cccs2,CCN(CC)CCOC(=O)C(O)(C1CCCC1)c2cccs2,"InChI=1/C17H27NO3S/c1-3-18(4-2)11-12-21-16(19)17(20,14-8-5-6-9-14)15-10-7-13-22-15/h7,10,13-14,20H,3-6,8-9,11-12H2,1-2H3",C17H27NO3S,,,,,,ASXBIKGZCPZCAN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.777,236-071-1,13139-12-3,tert-butyl succinimido carbonate,"1-[(tert-butoxycarbonyl)oxy]pyrrolidine-2,5-dione",CC(C)(C)OC(=O)ON1C(=O)CCC1=O,CC(C)(C)OC(=O)ON1C(=O)CCC1=O,"InChI=1/C9H13NO5/c1-9(2,3)14-8(13)15-10-6(11)4-5-7(10)12/h4-5H2,1-3H3",C9H13NO5,,,,,,VTGFSVGZCYYHLO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.779,236-073-2,13139-15-6,"N-[(1,1-dimethylethoxy)carbonyl]-L-leucine",N-(tert-butoxycarbonyl)-L-leucine,CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O,CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)",C11H21NO4,,,,,,MDXGYYOJGPFFJL-QMMMGPOBSA-N,,,,,,,,,,,
100.032.781,236-075-3,13139-17-8,Benzyl succinimido carbonate,"1-{[(benzyloxy)carbonyl]oxy}pyrrolidine-2,5-dione",O=C(OCc1ccccc1)ON2C(=O)CCC2=O,O=C(OCc1ccccc1)ON2C(=O)CCC2=O,"InChI=1/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2",C12H11NO5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19071,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.781,MJSHDCCLFGOEIK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.782,236-076-9,13141-04-3,"2,2-dimethylhexyl acrylate","2,2-dimethylhexyl acrylate",CCCCC(C)(C)COC(=O)C=C,CCCCC(C)(C)COC(=O)C=C,"InChI=1/C11H20O2/c1-5-7-8-11(3,4)9-13-10(12)6-2/h6H,2,5,7-9H2,1,3-4H3",C11H20O2,,,,,,ZDEMXHSNWUJBIV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.786,236-081-6,13145-01-2,"N,N'-[(phenylmethylene)di-4,1-phenylene]bis(acetamide)","N,N'-[(phenylmethylene)di-4,1-phenylene]diacetamide",CC(=O)Nc1ccc(cc1)C(c2ccccc2)c3ccc(NC(=O)C)cc3,CC(=O)Nc1ccc(cc1)C(c2ccccc2)c3ccc(NC(=O)C)cc3,"InChI=1/C23H22N2O2/c1-16(26)24-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)25-17(2)27/h3-15,23H,1-2H3,(H,24,26)(H,25,27)",C23H22N2O2,,,,,,OPJRKWVQWFDDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.788,236-083-7,13146-36-6,"2,2-dimethylvaleramide","2,2-dimethylpentanamide",CCCC(C)(C)C(=O)N,CCCC(C)(C)C(=O)N,"InChI=1/C7H15NO/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H2,8,9)",C7H15NO,,,,,,CDMRYARHYKNFLS-UHFFFAOYSA-N,,,,,,,,,,,
100.043.296,247-641-4,26385-07-9,N-(2-chloroethyl)benzamide,N-(2-chloroethyl)benzamide,ClCCNC(=O)c1ccccc1,ClCCNC(=O)c1ccccc1,"InChI=1/C9H10ClNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)",C9H10ClNO,,,,,,FYQJUYCGPLFWQR-UHFFFAOYSA-N,,,,,,,,,,,
100.043.302,247-648-2,26392-49-4,(2-ethylhexyl)ammonium chloride,2-ethylhexan-1-aminium chloride,[Cl-].CCCCC(CC)C[NH3+],[Cl-].CCCCC(CC)C[NH3+],"InChI=1/C8H19N.ClH/c1-3-5-6-8(4-2)7-9;/h8H,3-7,9H2,1-2H3;1H",C8H19N.ClH,,,,,,JNWRGTDFPPYRAD-UHFFFAOYSA-N,,,,,,,,,,,
100.043.313,247-660-8,26401-35-4,Diisotridecyl adipate,bis(11-methyldodecyl) adipate,CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C,"InChI=1/C32H62O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-35-31(33)25-19-20-26-32(34)36-28-22-16-12-8-6-10-14-18-24-30(3)4/h29-30H,5-28H2,1-4H3",C32H62O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16101,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.313,WPUKZOKYKHYASK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.326,247-674-4,26406-62-2,"N'-(3,4-dihydro-1-isoquinolyl)-N,N-diethylethylenediamine dihydrochloride","N'-(3,4-dihydroisoquinolin-1-yl)-N,N-diethylethane-1,2-diamine dihydrochloride",Cl.Cl.CCN(CC)CCNC1=NCCc2ccccc12,Cl.Cl.CCN(CC)CCNC1=NCCc2ccccc12,"InChI=1/C15H23N3.2ClH/c1-3-18(4-2)12-11-17-15-14-8-6-5-7-13(14)9-10-16-15;;/h5-8H,3-4,9-12H2,1-2H3,(H,16,17);2*1H",C15H23N3.2ClH,,,,,,JUQFJBBPPOFHIP-UHFFFAOYSA-N,,,,,,,,,,,
100.043.328,247-677-0,26408-93-5,m-aminophenyl benzenesulphonate,3-aminophenyl benzenesulfonate,Nc1cccc(OS(=O)(=O)c2ccccc2)c1,Nc1cccc(OS(=O)(=O)c2ccccc2)c1,"InChI=1/C12H11NO3S/c13-10-5-4-6-11(9-10)16-17(14,15)12-7-2-1-3-8-12/h1-9H,13H2",C12H11NO3S,,,,,,DGMUOPTYPWAHII-UHFFFAOYSA-N,,,,,,,,,,,
100.043.332,247-681-2,26411-40-5,1-[[methyl(1-oxooctadecyl)amino]methyl]pyridinium chloride,1-{[methyl(stearoyl)amino]methyl}pyridinium chloride,[Cl-].CCCCCCCCCCCCCCCCCC(=O)N(C)C[n+]1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC(=O)N(C)C[n+]1ccccc1,"InChI=1/C25H45N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(28)26(2)24-27-22-19-17-20-23-27;/h17,19-20,22-23H,3-16,18,21,24H2,1-2H3;1H/q+1;/p-1",C25H45N2O.Cl,,,,,,GGFXCFPLICJYBT-UHFFFAOYSA-M,,,,,,,,,,,
100.040.061,244-083-3,20854-76-6,"2-nitroso-1H-indene-1,3(2H)-dione","2-nitroso-1H-indene-1,3(2H)-dione",O=NC1C(=O)c2ccccc2C1=O,O=NC1C(=O)c2ccccc2C1=O,"InChI=1/C9H5NO3/c11-8-5-3-1-2-4-6(5)9(12)7(8)10-13/h1-4,7H",C9H5NO3,,,,,,ZQQVLLUALVAKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.040.070,244-093-8,20869-95-8,"5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-benzopyrone","5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one",COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(OC)cc3,COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(OC)cc3,"InChI=1/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3",C17H14O6,,,,,,RJCJVIFSIXKSAH-UHFFFAOYSA-N,,,,,,,,,,,
100.040.074,244-098-5,20883-16-3,3-phenyl-2-butenyl acetate,3-phenylbut-2-en-1-yl acetate,CC(=O)OCC=C(C)c1ccccc1,CC(=O)OCC=C(C)c1ccccc1,"InChI=1/C12H14O2/c1-10(8-9-14-11(2)13)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3",C12H14O2,,,,,,NVIVTRAAPVVZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.040.076,244-100-4,20890-93-1,N-[[(4-methoxyphenyl)methoxy]carbonyl]-L-serine,N-{[(4-methoxybenzyl)oxy]carbonyl}-L-serine,COc1ccc(COC(=O)N[C@@H](CO)C(=O)O)cc1,COc1ccc(COC(=O)N[C@@H](CO)C(=O)O)cc1,"InChI=1/C12H15NO6/c1-18-9-4-2-8(3-5-9)7-19-12(17)13-10(6-14)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,13,17)(H,15,16)",C12H15NO6,,,,,,RMBWJEJTGNHCMK-JTQLQIEISA-N,,,,,,,,,,,
100.040.080,244-105-1,20898-44-6,1-benzyl-N-(tert-butoxycarbonyl)-L-histidine,1-benzyl-N-(tert-butoxycarbonyl)-L-histidine,CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O,"InChI=1/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)",C18H23N3O4,,,,,,OUHPNBGKEMHUCQ-HNNXBMFYSA-N,,,,,,,,,,,
100.040.083,244-108-8,20904-74-9,Hydrogen 5-chloro-2-[2-[[5-chloro-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium,"hydrogen 4-[5-chloro-2-(2-{[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]methylene}butylidene)-1,3-benzothiazol-3(2H)-yl]butane-1-sulfonate",[H+].[O-]S(=O)(=O)CCCC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCCCS([O-])(=O)=O,[H+].[O-]S(=O)(=O)CCCC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCCCS([O-])(=O)=O,"InChI=1/C27H30Cl2N2O6S4.H2/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27;/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37);1H/q;+1/p-1",C27H30Cl2N2O6S4,,,,,,MBCYYQMJNFIFQX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.093,244-119-8,20936-33-8,"Copper 2,4-dihydroxybenzoate","copper(1+) 2,4-dihydroxybenzoate",[Cu+].Oc1ccc(C(=O)[O-])c(O)c1,[Cu+].Oc1ccc(C(=O)[O-])c(O)c1,"InChI=1/C7H6O4.Cu/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,8-9H,(H,10,11);/q;+1/p-1",C7H6O4.xCu,,,,,,VBGBWYHBSSVBMM-UHFFFAOYSA-M,,,,,,,,,,,
100.040.101,244-128-7,20965-27-9,7-bromoheptanenitrile,7-bromoheptanenitrile,BrCCCCCCC#N,BrCCCCCCC#N,InChI=1/C7H12BrN/c8-6-4-2-1-3-5-7-9/h1-6H2,C7H12BrN,,,,,,HVVQSKCGHAPHMV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.719,243-708-7,20294-38-6,4-methylindan-5-ol,4-methylindan-5-ol,Cc1c(O)ccc2CCCc12,Cc1c(O)ccc2CCCc12,"InChI=1/C10H12O/c1-7-9-4-2-3-8(9)5-6-10(7)11/h5-6,11H,2-4H2,1H3",C10H12O,,,,,,BVKUYBCYSJOQLD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.408,242-265-7,18388-16-4,Trichloro(cyclohexylmethyl)silane,trichloro(cyclohexylmethyl)silane,Cl[Si](Cl)(Cl)CC1CCCCC1,Cl[Si](Cl)(Cl)CC1CCCCC1,"InChI=1/C7H13Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h7H,1-6H2",C7H13Cl3Si,,,,,,NAHQHOCDGCGAJH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.414,242-272-5,18395-30-7,Trimethoxy(2-methylpropyl)silane,isobutyl(trimethoxy)silane,CO[Si](CC(C)C)(OC)OC,CO[Si](CC(C)C)(OC)OC,"InChI=1/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3",C7H18O3Si,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13728,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.414,XYJRNCYWTVGEEG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.417,242-275-1,18397-07-4,Pereirine,curan-17-ol,CC[C@@H]1CN2CC[C@@]34[C@@H](Nc5ccccc35)[C@H](CO)[C@H]1C[C@H]24,CC[C@@H]1CN2CC[C@@]34[C@@H](Nc5ccccc35)[C@H](CO)[C@H]1C[C@H]24,"InChI=1/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3",C19H26N2O,,,,,,FAQGZHFLASTWAV-IHLKXGHLSA-N,,,,,,,,,,,
100.038.431,242-290-3,18409-20-6,"(2E,4E)-octa-2,4-dienol","octa-2,4-dien-1-ol",CCC\\C=C\\C=C\\CO,CCC\C=C\C=C\CO,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3",C8H14O,,,,,,LMBAOEUOOJDUBP-YTXTXJHMSA-N,,,,,,,,,,,
100.038.433,242-292-4,18410-18-9,5-(4-chlorophenyl)tetrahydrofuran-2(3H)-one,5-(4-chlorophenyl)dihydrofuran-2(3H)-one,Clc1ccc(cc1)C2CCC(=O)O2,Clc1ccc(cc1)C2CCC(=O)O2,"InChI=1/C10H9ClO2/c11-8-3-1-7(2-4-8)9-5-6-10(12)13-9/h1-4,9H,5-6H2",C10H9ClO2,,,,,,MDOWPKVKTIICSH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.435,242-295-0,18417-00-0,(S)-12-hydroxyoctadecanoic acid,12-hydroxyoctadecanoic acid,CCCCCC[C@H](O)CCCCCCCCCCC(=O)O,CCCCCC[C@H](O)CCCCCCCCCCC(=O)O,"InChI=1/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",C18H36O3,,,,,,ULQISTXYYBZJSJ-KRWDZBQOSA-N,,,,,,,,,,,
100.032.871,236-174-1,13206-31-0,"2-isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid","2-isopropyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",CC(C)C1NC(C(=O)O)C(C)(C)S1,CC(C)C1NC(C(=O)O)C(C)(C)S1,"InChI=1/C9H17NO2S/c1-5(2)7-10-6(8(11)12)9(3,4)13-7/h5-7,10H,1-4H3,(H,11,12)",C9H17NO2S,,,,,,JLLDUMMFTKVTLS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.874,236-177-8,13209-41-1,"17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione","17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3",C22H28O4,,,,,,ZYTXTXAMMDTYDQ-DGEXFFLYSA-N,,,,,,,,,,,
100.034.385,237-838-3,14017-53-9,Dysprosium(3+) perchlorate,dysprosium triperchlorate,[Dy+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Dy+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Dy/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Dy,,,,,,QNDHOIIJUAAORW-UHFFFAOYSA-K,,,,,,,,,,,
100.034.386,237-839-9,14017-54-0,Holmium(3+) perchlorate,holmium triperchlorate,[Ho+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Ho+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Ho/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Ho,,,,,,HRWMCDDQLSZQPE-UHFFFAOYSA-K,,,,,,,,,,,
100.034.398,237-853-5,14024-18-1,"Tris(pentane-2,4-dionato)iron(II)",iron(3+) tris(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Fe](OC(=CC(=O)C)C)OC(=CC(=O)C)C,CC(=O)C=C(C)O[Fe](OC(=CC(=O)C)C)OC(=CC(=O)C)C,"InChI=1/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3",C15H21FeO6,,,,,,AQBLLJNPHDIAPN-UHFFFAOYSA-K,,,,,,,,,,,
100.034.410,237-866-6,14027-78-2,Dipentyl adipate,dipentyl adipate,CCCCCOC(=O)CCCCC(=O)OCCCCC,CCCCCOC(=O)CCCCC(=O)OCCCCC,"InChI=1/C16H30O4/c1-3-5-9-13-19-15(17)11-7-8-12-16(18)20-14-10-6-4-2/h3-14H2,1-2H3",C16H30O4,,,,,,UPPJFVSCGFPFHM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.018,241-836-8,17887-60-4,Acetoxydimethylphenylsilane,dimethyl(phenyl)silyl acetate,CC(=O)O[Si](C)(C)c1ccccc1,CC(=O)O[Si](C)(C)c1ccccc1,"InChI=1/C10H14O2Si/c1-9(11)12-13(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3",C10H14O2Si,,,,,,KEVICWGPAZOCGD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.022,241-841-5,17896-21-8,(±)-N-(tetrahydro-2-oxothien-3-yl)acetamide,N-(2-oxotetrahydrothiophen-3-yl)acetamide,CC(=O)NC1CCSC1=O,CC(=O)NC1CCSC1=O,"InChI=1/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)",C6H9NO2S,,,,,,NRFJZTXWLKPZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.024,241-843-6,17899-33-1,2-imino-a-phenylthiazolidin-3-ethanol monohydrochloride,"2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol hydrochloride",Cl.OC(CN1CCSC1=N)c2ccccc2,Cl.OC(CN1CCSC1=N)c2ccccc2,"InChI=1/C11H14N2OS.ClH/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;/h1-5,10,12,14H,6-8H2;1H",C11H14N2OS.ClH,,,,,,HXCSOQNQZVYAJC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.030,241-849-9,17906-22-8,Tributoxypropylsilane,tributoxy(propyl)silane,CCCCO[Si](CCC)(OCCCC)OCCCC,CCCCO[Si](CCC)(OCCCC)OCCCC,"InChI=1/C15H34O3Si/c1-5-9-12-16-19(15-8-4,17-13-10-6-2)18-14-11-7-3/h5-15H2,1-4H3",C15H34O3Si,,,,,,WAAWAIHPWOJHJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.042,241-863-5,17918-14-8,"2,5-dimethoxybenzoyl chloride","2,5-dimethoxybenzoyl chloride",COc1ccc(OC)c(c1)C(=O)Cl,COc1ccc(OC)c(c1)C(=O)Cl,"InChI=1/C9H9ClO3/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3",C9H9ClO3,,,,,,YARKPRSRXZGKNI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.548,236-919-0,13547-30-3,"4-hydroxy-3,5-diiodobenzonitrile, compound with 2,2',2''-nitrilotris[ethanol] (1:1)","4-hydroxy-3,5-diiodobenzonitrile - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.Oc1c(I)cc(cc1I)C#N,OCCN(CCO)CCO.Oc1c(I)cc(cc1I)C#N,"InChI=1/C7H3I2NO.C6H15NO3/c8-5-1-4(3-10)2-6(9)7(5)11;8-4-1-7(2-5-9)3-6-10/h1-2,11H;8-10H,1-6H2",C7H3I2NO.C6H15NO3,,,,,,TVKRDARJCZXIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.571,236-944-7,13558-31-1,"3,6-diamino-9-(2-carboxyphenyl)xanthylium chloride","3,6-diamino-9-(2-carboxyphenyl)xanthenium chloride",[Cl-].Nc1ccc2c(c3ccccc3C(=O)O)c4ccc(N)cc4[o+]c2c1,[Cl-].Nc1ccc2c(c3ccccc3C(=O)O)c4ccc(N)cc4[o+]c2c1,"InChI=1/C20H14N2O3.ClH/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-10H,21-22H2;1H",C20H15N2O3.Cl,,,,,,VDOWACIWFRCYML-UHFFFAOYSA-M,,,,,,,,,,,
100.033.583,236-957-8,13566-03-5,Palladium sulphate,palladium(2+) sulfate,[Pd+2].[O-]S(=O)(=O)[O-],[Pd+2].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.Pd/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",H2O4S.Pd,,,,,,RFLFDJSIZCCYIP-UHFFFAOYSA-L,,,,,,,,,,,
100.041.113,245-240-9,22811-55-8,[[(phosphonomethyl)imino]bis[ethylene[(phosphonomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonic acid,"[2-{2-[bis(phosphonomethyl)amino]ethyl}-13,13-dihydroxy-13-oxido-5,8,11-tris(phosphonomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonic acid (non-preferred name)",OP(=O)(O)CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C15H44N5O21P7/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41)",C15H44N5O21P7,,,,,,YIAZZEXSBOBNAA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.117,245-245-6,22816-56-4,Sodium 4-formyl-5-hydroxy-6-methyl-3-pyridylmethyl hydrogen phosphate,sodium (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen phosphate,[Na+].Oc1c(C=O)c(cnc1C)COP([O-])(=O)O,[Na+].Oc1c(C=O)c(cnc1C)COP([O-])(=O)O,"InChI=1/C8H10NO6P.Na/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);/q;+1/p-1",C8H10NO6P.Na,,,,,,LWRNKHPBGKDNFK-UHFFFAOYSA-M,,,,,,,,,,,
100.041.118,245-246-1,22816-64-4,8-hydroxy-5-methylquinolinium decyl sulphate,8-hydroxy-5-methylquinolinium decyl sulfate,CCCCCCCCCCOS(=O)(=O)[O-].Cc1ccc(O)c2[nH+]cccc12,CCCCCCCCCCOS(=O)(=O)[O-].Cc1ccc(O)c2[nH+]cccc12,"InChI=1/C10H9NO.C10H22O4S/c1-7-4-5-9(12)10-8(7)3-2-6-11-10;1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-6,12H,1H3;2-10H2,1H3,(H,11,12,13)",C12H26O4S.C10H9NO,,,,,,KEDREHVCYINJAM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.120,245-248-2,22819-70-1,"(1a,3ß,5ß,7a)-8,8-dichloro-1,4,4-trimethyltricyclo[5.1.0.03,5]octane","8,8-dichloro-1,4,4-trimethyltricyclo[5.1.0.0~3,5~]octane",CC1(C)C2CC3C(C)(CC12)C3(Cl)Cl,CC1(C)C2CC3C(C)(CC12)C3(Cl)Cl,"InChI=1/C11H16Cl2/c1-9(2)6-4-8-10(3,5-7(6)9)11(8,12)13/h6-8H,4-5H2,1-3H3",C11H16Cl2,,,,,,HTKBDJGWQFLSFU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.122,245-250-3,22821-89-2,"1,3-dichloro-5-(methylsulphonyl)benzene","1,3-dichloro-5-(methylsulfonyl)benzene",CS(=O)(=O)c1cc(Cl)cc(Cl)c1,CS(=O)(=O)c1cc(Cl)cc(Cl)c1,"InChI=1/C7H6Cl2O2S/c1-12(10,11)7-3-5(8)2-6(9)4-7/h2-4H,1H3",C7H6Cl2O2S,,,,,,QIYHQTUAQZMJGS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.124,245-252-4,22830-18-8,"Citric acid, zirconium salt",zirconium(2+) 2-(carboxymethyl)-2-hydroxysuccinate,[Zr+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],[Zr+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Zr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2",C6H8O7.xZr,,,,,,YTSSMGJWHQAYNQ-UHFFFAOYSA-L,,,,,,,,,,,
100.042.750,247-041-2,25496-92-8,Sucrose oleate,3-O-oleoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside,CCCCCCCC\\C=C/CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1/C30H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)40-28-25(36)22(19-32)41-30(28,20-33)42-29-27(38)26(37)24(35)21(18-31)39-29/h9-10,21-22,24-29,31-33,35-38H,2-8,11-20H2,1H3",C30H54O12,,,,,,RXPVKDYJCZHCRI-JSJITEFISA-N,,,,,,,,,,,
100.042.756,247-048-0,25502-52-7,"N,N'-(ethylene)bis[1,2,3,,6-tetrahydro-3,6-methanophthalimide]","2,2'-ethane-1,2-diylbis(3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione)",O=C1C2C3CC(C=C3)C2C(=O)N1CCN4C(=O)C5C6CC(C=C6)C5C4=O,O=C1C2C3CC(C=C3)C2C(=O)N1CCN4C(=O)C5C6CC(C=C6)C5C4=O,"InChI=1/C20H20N2O4/c23-17-13-9-1-2-10(7-9)14(13)18(24)21(17)5-6-22-19(25)15-11-3-4-12(8-11)16(15)20(22)26/h1-4,9-16H,5-8H2",C20H20N2O4,,,,,,UEULCXCLKPGFQR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.767,247-060-6,25512-39-4,(chloropropyl)trimethoxysilane,(1-chloropropyl)(trimethoxy)silane,CCC(Cl)[Si](OC)(OC)OC,CCC(Cl)[Si](OC)(OC)OC,"InChI=1/C6H15ClO3Si/c1-5-6(7)11(8-2,9-3)10-4/h6H,5H2,1-4H3",C6H15ClO3Si,,,,,,HIYKRAYZGHOHIV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.773,247-066-9,25519-09-9,Holmium(3+) acetate,holmium triacetate,[Ho+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Ho+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Ho/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Ho,,,,,,HWQRVFRWLQGBFV-UHFFFAOYSA-K,,,,,,,,,,,
100.042.774,247-067-4,25519-10-2,Erbium(3+) acetate,erbium triacetate,[Er+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Er+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Er/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Er,,,,,,DBUHPIKTDUMWTR-UHFFFAOYSA-K,,,,,,,,,,,
100.032.790,236-085-8,13147-86-9,3-(benzylamino)hexahydro-2H-azepin-2-one,3-(benzylamino)azepan-2-one,O=C1NCCCCC1NCc2ccccc2,O=C1NCCCCC1NCc2ccccc2,"InChI=1/C13H18N2O/c16-13-12(8-4-5-9-14-13)15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,14,16)",C13H18N2O,,,,,,JRGFAORRKSDLLX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.795,236-091-0,13150-00-0,Sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl sulphate,sodium 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethyl sulfate,[Na+].CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C18H38O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1",C18H38O7S.Na,,,,,,SXHLENDCVBIJFO-UHFFFAOYSA-M,,,,,,,,,,,
100.032.806,236-102-9,13162-05-5,N-vinylformamide,N-vinylformamide,C=CNC=O,C=CNC=O,"InChI=1/C3H5NO/c1-2-4-3-5/h2-3H,1H2,(H,4,5)",C3H5NO,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/15886,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.806,ZQXSMRAEXCEDJD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.814,236-111-8,13170-22-4,Triacetoxy-tert-butoxysilane,"2-methyl-2-(silyloxy)propane-1,1,1-triyl triacetate",CC(=O)OC(OC(=O)C)(OC(=O)C)C(C)(C)O[SiH3],CC(=O)OC(OC(=O)C)(OC(=O)C)C(C)(C)O[SiH3],"InChI=1/C10H18O7Si/c1-6(11)14-10(15-7(2)12,16-8(3)13)9(4,5)17-18/h1-5,18H3",C10H18O7Si,,,,,,PLAFPYLYSOUCKG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.816,236-113-9,13170-76-8,Mercury bis(2-ethylhexanoate),mercury bis(2-ethylhexanoate),[Hg+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Hg+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Hg/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Hg,,,,,,YIGIDAFGRCVREO-UHFFFAOYSA-L,,,,,,,,,,,
100.036.184,239-819-5,15724-70-6,"N,N'-acridine-3,6-diyldi(acetamide)","N,N'-acridine-3,6-diyldiacetamide",CC(=O)Nc1ccc2cc3ccc(NC(=O)C)cc3nc2c1,CC(=O)Nc1ccc2cc3ccc(NC(=O)C)cc3nc2c1,"InChI=1/C17H15N3O2/c1-10(21)18-14-5-3-12-7-13-4-6-15(19-11(2)22)9-17(13)20-16(12)8-14/h3-9H,1-2H3,(H,18,21)(H,19,22)",C17H15N3O2,,,,,,IPBVFYCAVIISQF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.185,239-820-0,15726-15-5,3-methylheptan-4-one,3-methylheptan-4-one,CCCC(=O)C(C)CC,CCCC(=O)C(C)CC,"InChI=1/C8H16O/c1-4-6-8(9)7(3)5-2/h7H,4-6H2,1-3H3",C8H16O,,,,,,NHIMSNHOEAVUKE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.192,239-827-9,15733-89-8,"1,2-dihydro-2-oxoquinoline-4-carboxylic acid","2-oxo-1,2-dihydroquinoline-4-carboxylic acid",OC(=O)C1=CC(=O)Nc2ccccc12,OC(=O)C1=CC(=O)Nc2ccccc12,"InChI=1/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)",C10H7NO3,,,,,,MFSHNFBQNVGXJX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.201,239-837-3,15743-44-9,Potassium glycinate,potassium aminoacetate,[K+].NCC(=O)[O-],[K+].NCC(=O)[O-],"InChI=1/C2H5NO2.K/c3-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1",C2H5NO2.K,,,,,,GZWNUORNEQHOAW-UHFFFAOYSA-M,,,,,,,,,,,
100.036.203,239-839-4,15748-73-9,Lead disalicylate,-,[Pb+2].O=C([O-])c1ccccc1O.[O-]C(=O)c1ccccc1O,[Pb+2].O=C([O-])c1ccccc1O.[O-]C(=O)c1ccccc1O,"InChI=1/2C7H6O3.Pb.2H/c2*8-6-4-2-1-3-5(6)7(9)10;;;/h2*1-4,8H,(H,9,10);;;/q;;+4;;/p-2/r2C7H6O3.H2Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);1H2/q;;+4/p-2",C14H10O6Pb,,,,,,CNVULGHYDPMIHD-UHFFFAOYSA-L,,,,,,,,,,,
100.036.205,239-842-0,15752-05-3,Triammonium hexachloroiridate,-,[NH4+].[NH4+].[NH4+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].[NH4+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Ir.3H3N/h6*1H;;3*1H3/q;;;;;;+4;;;/p-3/rCl6Ir.3H3N/c1-7(2,3,4,5)6;;;/h;3*1H3/q-2;;;/p+3",Cl6Ir.3H4N,,,,,,BLGHAGQUSCPTSF-UHFFFAOYSA-K,,,,,,,,,,,
100.036.209,239-846-2,15760-26-6,1-cyano-2-methylisothiourea,methyl N-cyanoimidothiocarbamate,CSC(=N)NC#N,CSC(=N)NC#N,"InChI=1/C3H5N3S/c1-7-3(5)6-2-4/h1H3,(H2,5,6)",C3H5N3S,,,,,,XTLAGIJVEHOCLK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.218,239-856-7,15764-16-6,"2,4-dimethylbenzaldehyde","2,4-dimethylbenzaldehyde",Cc1ccc(C=O)c(C)c1,Cc1ccc(C=O)c(C)c1,"InChI=1/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3",C9H10O,,,,,,GISVICWQYMUPJF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.444,235-702-8,12578-12-0,Dioxobis(stearato)trilead,-,CCCCCCCCCCCCCCCCCC(=O)O[Pb]O[Pb]O[Pb]OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[Pb]O[Pb]O[Pb]OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/2C18H36O2.2O.3Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;/h2*2-17H2,1H3,(H,19,20);;;;;/q;;;;+2;2*+3/p-2/rC36H70O6Pb3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-43-41-45-42-44-40-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3/q+6",C36H70O6Pb3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15993,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.444,VQWAMPSGOQJXCE-UHFFFAOYSA-L,,,,,,,,,,,
100.032.477,235-738-4,12640-89-0,Selenium oxide,Selenium oxide,O=[SeH2],O=[SeH2],InChI=1/OSe/c1-2,-,,,,,,RNFVWMHYNZBWNK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.479,235-741-0,12645-31-7,"Phosphoric acid, 2-ethylhexyl ester",2-ethylhexyl dihydrogen phosphate,CCCCC(CC)COP(=O)(O)O,CCCCC(CC)COP(=O)(O)O,"InChI=1/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13106,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.479,LJKDOMVGKKPJBH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.483,235-745-2,12648-47-4,Platinum chloride,platinum(2+) dichloride,[Cl-].[Cl-].[Pt+2],[Cl-].[Cl-].[Pt+2],InChI=1/2ClH.Pt/h2*1H;/q;;+2/p-2,-,,,,,,CLSUSRZJUQMOHH-UHFFFAOYSA-L,,,,,,,,,,,
100.035.849,239-451-5,15438-71-8,1-(hydroxymethyl)pyrrolidin-2-one,1-(hydroxymethyl)pyrrolidin-2-one,OCN1CCCC1=O,OCN1CCCC1=O,"InChI=1/C5H9NO2/c7-4-6-3-1-2-5(6)8/h7H,1-4H2",C5H9NO2,,,,,,PJEXUIKBGBSHBS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.726,243-716-0,20297-05-6,"Bis[3,6,9,12-tetraoxatetracosyl] hydrogen phosphate","bis(3,6,9,12-tetraoxatetracos-1-yl) hydrogen phosphate",CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCCCCCCCCCCC,CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCCCCCCCCCCC,"InChI=1/C40H83O12P/c1-3-5-7-9-11-13-15-17-19-21-23-43-25-27-45-29-31-47-33-35-49-37-39-51-53(41,42)52-40-38-50-36-34-48-32-30-46-28-26-44-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,41,42)",C40H83O12P,,,,,,NRPWCKZJQUDHFY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.728,243-718-1,20298-69-5,cis-2-tert-butylcyclohexyl acetate,2-tert-butylcyclohexyl acetate,CC(=O)O[C@H]1CCCC[C@H]1C(C)(C)C,CC(=O)O[C@H]1CCCC[C@H]1C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15008,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.728,FINOAUDUYKVGDS-MNOVXSKESA-N,,,,,,,,,,,
100.039.739,243-730-7,20318-58-5,"N2-acetyl-N2-(4-dodecylphenyl)-N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-L-asparagine","N~2~-acetyl-N~2~-(4-dodecylphenyl)-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-L-asparagine",CCCCCCCCCCCCc1ccc(cc1)N([C@@H](CC(=O)NC2=NN(C(=O)C2)c3ccccc3)C(=O)O)C(=O)C,CCCCCCCCCCCCc1ccc(cc1)N([C@@H](CC(=O)NC2=NN(C(=O)C2)c3ccccc3)C(=O)O)C(=O)C,"InChI=1/C33H44N4O5/c1-3-4-5-6-7-8-9-10-11-13-16-26-19-21-27(22-20-26)36(25(2)38)29(33(41)42)23-31(39)34-30-24-32(40)37(35-30)28-17-14-12-15-18-28/h12,14-15,17-22,29H,3-11,13,16,23-24H2,1-2H3,(H,41,42)(H,34,35,39)",C33H44N4O5,,,,,,DLNZZJTWMYDVBS-LJAQVGFWSA-N,,,,,,,,,,,
100.041.375,245-528-4,23255-99-4,Sodium [[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetate,sodium [(1-benzyl-1H-indazol-3-yl)oxy]acetate,[Na+].[O-]C(=O)COc1nn(Cc2ccccc2)c3ccccc13,[Na+].[O-]C(=O)COc1nn(Cc2ccccc2)c3ccccc13,"InChI=1/C16H14N2O3.Na/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;/h1-9H,10-11H2,(H,19,20);/q;+1/p-1",C16H14N2O3.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12642,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.375,GHFGHIKJGVMEFT-UHFFFAOYSA-M,,,,,,,,,,,
100.041.380,245-534-7,23256-50-0,"3-[(2,6-dichlorophenyl)methylene]carbazamidine monoacetate","2-(2,6-dichlorobenzylidene)hydrazinecarboximidamide acetate",Clc1cccc(Cl)c1C=NNC(N)=N.CC(O)=O,Clc1cccc(Cl)c1C=NNC(N)=N.CC(O)=O,"InChI=1/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)",C8H8Cl2N4.C2H4O2,,,,,,MCSPBPXATWBACD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.384,245-538-9,23261-58-7,Quinoline-5-sulphonic acid,quinoline-5-sulfonic acid,OS(=O)(=O)c1cccc2ncccc12,OS(=O)(=O)c1cccc2ncccc12,"InChI=1/C9H7NO3S/c11-14(12,13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H,(H,11,12,13)",C9H7NO3S,,,,,,KVGSJGNWRDPVKA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.388,245-543-6,23268-00-0,Hydrazine dihydrobromide,hydrazine dihydrobromide,Br.Br.NN,Br.Br.NN,InChI=1/2BrH.H4N2/c;;1-2/h2*1H;1-2H2,BrH.1/2H4N2,,,,,,MEBDASBFCISMGU-UHFFFAOYSA-N,,,,,,,,,,,
100.043.724,248-112-0,26927-89-9,Isobornyl benzoate,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl benzoate",CC1(C)C2CCC1(C)C(C2)OC(=O)c3ccccc3,CC1(C)C2CCC1(C)C(C2)OC(=O)c3ccccc3,"InChI=1/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3",C17H22O2,,,,,,FLOISDYCXINJOB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.728,248-116-2,26934-29-2,"4,5-dihydro-2,3-dimethylthiazolium iodide","2,3-dimethyl-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].CC1=[N+](C)CCS1,[I-].CC1=[N+](C)CCS1,"InChI=1/C5H10NS.HI/c1-5-6(2)3-4-7-5;/h3-4H2,1-2H3;1H/q+1;/p-1",C5H10NS.I,,,,,,APCZGLLBEWTYMV-UHFFFAOYSA-M,,,,,,,,,,,
100.043.729,248-117-8,26939-18-4,"5,6-dihydro-2,4,4,6-tetramethyl4H-1,3-oxazine","2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine",CC1CC(C)(C)N=C(C)O1,CC1CC(C)(C)N=C(C)O1,"InChI=1/C8H15NO/c1-6-5-8(3,4)9-7(2)10-6/h6H,5H2,1-4H3",C8H15NO,,,,,,LZSGJOXDYPFFQB-UHFFFAOYSA-N,,,,,,,,,,,
100.043.732,248-120-4,26941-42-4,"4,8-diamino-9,10-dihydro-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxoanthracene-2-sulphonic acid","4,8-diamino-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",COc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)cc(c(O)c4C(=O)c3c2N)S(=O)(=O)O,COc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)cc(c(O)c4C(=O)c3c2N)S(=O)(=O)O,"InChI=1/C21H16N2O8S/c1-31-9-4-2-8(3-5-9)10-6-12(24)15-16(18(10)23)21(27)17-14(20(15)26)11(22)7-13(19(17)25)32(28,29)30/h2-7,24-25H,22-23H2,1H3,(H,28,29,30)",C21H16N2O8S,,,,,,BOGQWONBGYJLTF-UHFFFAOYSA-N,,,,,,,,,,,
100.043.735,248-124-6,26944-48-9,Glibornuride,"N-[(3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]2[C@H](O)[C@]3(C)CC[C@H]2C3(C)C,Cc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]2[C@H](O)[C@]3(C)CC[C@H]2C3(C)C,"InChI=1/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)",C18H26N2O4S,,,,,,RMTYNAPTNBJHQI-LLDVTBCESA-N,,,,,,,,,,,
100.043.740,248-129-3,26948-96-9,"4,4'-sulphinyldiresorcinol","4,4'-sulfinyldibenzene-1,3-diol",Oc1ccc(c(O)c1)S(=O)c2ccc(O)cc2O,Oc1ccc(c(O)c1)S(=O)c2ccc(O)cc2O,"InChI=1/C12H10O5S/c13-7-1-3-11(9(15)5-7)18(17)12-4-2-8(14)6-10(12)16/h1-6,13-16H",C12H10O5S,,,,,,YNHHSHCJKICJLU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.047,241-868-2,17931-55-4,Bicyclo[3.3.1]nonan-9-one,bicyclo[3.3.1]nonan-9-one,O=C1C2CCCC1CCC2,O=C1C2CCCC1CCC2,"InChI=1/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2",C9H14O,,,,,,SKTMMSQPXGWCAP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.053,241-875-0,17947-85-2,Acetoxytri-tert-butoxysilane,acetyl tri-tert-butyl orthosilicate,CC(=O)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C,CC(=O)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C,"InChI=1/C14H30O5Si/c1-11(15)16-20(17-12(2,3)4,18-13(5,6)7)19-14(8,9)10/h1-10H3",C14H30O5Si,,,,,,STCHVBTVDSDGFF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.054,241-876-6,17950-40-2,Triethyloxonium hexafluorophosphate(1-),triethyloxonium hexafluorophosphate,CC[O+](CC)CC.F[P-](F)(F)(F)(F)F,CC[O+](CC)CC.F[P-](F)(F)(F)(F)F,"InChI=1/C6H15O.F6P/c1-4-7(5-2)6-3;1-7(2,3,4,5)6/h4-6H2,1-3H3;/q+1;-1",C6H15O.F6P,,,,,,JRHIFBONIQGZFC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.056,241-878-7,17952-82-8,"2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one","2,3,4,9-tetrahydro-1H-beta-carbolin-1-one",O=C1NCCc2c1[nH]c3ccccc23,O=C1NCCc2c1[nH]c3ccccc23,"InChI=1/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)",C11H10N2O,,,,,,FZHZQHNKCPJTNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.062,241-885-5,17961-12-5,Octyl hydrogen adipate,6-(octyloxy)-6-oxohexanoic acid,CCCCCCCCOC(=O)CCCCC(=O)O,CCCCCCCCOC(=O)CCCCC(=O)O,"InChI=1/C14H26O4/c1-2-3-4-5-6-9-12-18-14(17)11-8-7-10-13(15)16/h2-12H2,1H3,(H,15,16)",C14H26O4,,,,,,IHLDEDLAZNFOJB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.063,241-886-0,17962-34-4,"1,1,3,5,5-pentamethyl-3-phenyltrisiloxane","1,1,3,5,5-pentamethyl-3-phenyltrisiloxane",C[SiH](C)O[Si](C)(O[SiH](C)C)c1ccccc1,C[SiH](C)O[Si](C)(O[SiH](C)C)c1ccccc1,"InChI=1/C11H22O2Si3/c1-14(2)12-16(5,13-15(3)4)11-9-7-6-8-10-11/h6-10,14-15H,1-5H3",C11H22O2Si3,,,,,,YTIKDTOMMNVHBW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.045,237-465-6,13813-22-4,Lanthanum triiodide,lanthanum triiodide,[I-].[I-].[I-].[La+3],[I-].[I-].[I-].[La+3],InChI=1/3HI.La/h3*1H;/q;;;+3/p-3,I3La,,,,,,KYKBXWMMXCGRBA-UHFFFAOYSA-K,,,,,,,,,,,
100.034.058,237-479-2,13813-81-5,Triammonium hydrogen diphosphate,triammonium hydrogen diphosphate,[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3H3N.2H3O4P/c;;;2*1-5(2,3)4/h3*1H3;2*(H3,1,2,3,4)/p-3",H4O7P2.3H3N,,,,,,ANHSGCWTORACPM-UHFFFAOYSA-K,,,,,,,,,,,
100.034.059,237-480-8,13814-59-0,Cadmium selenite,cadmium selenite,[Cd+2].[O-][Se](=O)[O-],[Cd+2].[O-][Se](=O)[O-],"InChI=1/Cd.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",Cd.H2O3Se,,,,,,KBJQPSPKRGXBTH-UHFFFAOYSA-L,,,,,,,,,,,
100.034.080,237-503-1,13820-56-9,Dirubidium tetrachloroplatinate,dirubidium tetrachloroplatinate(2-),[Rb+].[Rb+].Cl[Pt-2](Cl)(Cl)Cl,[Rb+].[Rb+].Cl[Pt-2](Cl)(Cl)Cl,InChI=1/4ClH.Pt.2Rb/h4*1H;;;/q;;;;+4;2*+1/p-4,Cl4Pt.2Rb,,,,,,LRXXQFAXAKNZLK-UHFFFAOYSA-J,,,,,,,,,,,
100.034.084,237-507-3,13821-06-2,Dibarium hexacyanoferrate,dibarium hexacyanoferrate,[Ba+2].[Ba+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,[Ba+2].[Ba+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.2Ba.Fe/c6*1-2;;;/q;;;;;;2*+2;/rC6FeN6.2Ba/c8-1-7(2-9,3-10,4-11,5-12)6-13;;/q;2*+2",C6FeN6.2Ba,,,,,,GYOUXDUJZZOPGA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.086,237-509-4,13821-20-0,Trilithium hexafluoroaluminate,trilithium hexafluoroaluminate(3-),[Li+].[Li+].[Li+].F[Al-3](F)(F)(F)(F)F,[Li+].[Li+].[Li+].F[Al-3](F)(F)(F)(F)F,"InChI=1/Al.6FH.3Li/h;6*1H;;;/q+3;;;;;;;3*+1/p-6/rAlF6.3Li/c2-1(3,4,5,6)7;;;/q-3;3*+1",AlF6.3Li,,,,,,VRSRNLHMYUACMN-UHFFFAOYSA-H,,,,,,,,,,,
100.038.451,242-312-1,18434-76-9,"(carboxymethyl)trimethylammonium 3,7,12-trioxocholan-24-oate","carboxy-N,N,N-trimethylmethanaminium 3,7,12-trioxocholan-24-oate",C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)CC4CC3=O.C[N+](C)(C)CC(=O)O,C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)CC4CC3=O.C[N+](C)(C)CC(=O)O,"InChI=1/C24H34O5.C5H11NO2/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-6(2,3)4-5(7)8/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);4H2,1-3H3",C24H33O5.C5H12NO2,,,,,,YNVSAIFCSHZUCV-PCUWZHPXSA-N,,,,,,,,,,,
100.038.457,242-318-4,18441-43-5,5-methylbenzofuran,5-methyl-1-benzofuran,Cc1ccc2occc2c1,Cc1ccc2occc2c1,"InChI=1/C9H8O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3",C9H8O,,,,,,KCZQNAOFWQGLCN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.468,242-331-5,18448-47-0,Methyl cyclohex-1-ene-1-carboxylate,methyl cyclohex-1-ene-1-carboxylate,COC(=O)C1=CCCCC1,COC(=O)C1=CCCCC1,"InChI=1/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3",C8H12O2,,,,,,KXPWRCPEMHIZGU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.474,242-337-8,18451-96-2,Pentyl undec-10-enoate,pentyl undec-10-enoate,CCCCCOC(=O)CCCCCCCCC=C,CCCCCOC(=O)CCCCCCCCC=C,"InChI=1/C16H30O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3H,1,4-15H2,2H3",C16H30O2,,,,,,UODPTRHAWGAWQL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.484,242-348-8,18467-77-1,Diprogulic acid,"2,2,5,5-tetramethyltetrahydro-8aH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxine-8a-carboxylic acid (non-preferred name)",CC1(C)OC[C@@H]2O[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)O,CC1(C)OC[C@@H]2O[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)O,"InChI=1/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)",C12H18O7,,,,,,FWCBATIDXGJRMF-FLNNQWSLSA-N,,,,,,,,,,,
100.042.778,247-072-1,25522-96-7,"3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one","3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one",CC(C)CC(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C,CC(C)CC(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C,"InChI=1/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3",C21H30O5,,,,,,QARXXMMQVDCYGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.174,235-404-8,12218-95-0,Hydrogen bis[N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulphonyl]phenyl]azo]-1-naphthyl]acetamidato(2-)]chromate(1-),{N-[7-(hydroxy-kappaO)-8-{[2-(hydroxy-kappaO)-5-(methylsulfamoyl)phenyl]diazenyl}-1-naphthyl]acetamidato(2-)}{N-[7-(hydroxy-kappaO)-8-{[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl}-1-naphthyl]acetamidato}chromium,CNS(=O)(=O)c1ccc(O)c(c1)N=Nc2c(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6cccc(NC(=O)C)c56)S(=O)(=O)NC)ccc7cccc(NC(=O)C)c27,CNS(=O)(=O)c1ccc(O)c(c1)N=Nc2c(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6cccc(NC(=O)C)c56)S(=O)(=O)NC)ccc7cccc(NC(=O)C)c27,"InChI=1/2C19H18N4O5S.Cr/c2*1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2;/h2*3-10,20,25-26H,1-2H3,(H,21,24);/q;;+3/p-3/rC38H33CrN8O10S2/c1-21(48)42-27-9-5-7-23-11-16-33(37(35(23)27)46-44-29-19-25(13-15-31(29)50)58(51,52)40-3)56-39-55-32-18-14-26(59(53,54)41-4)20-30(32)45-47-38-34(57-39)17-12-24-8-6-10-28(36(24)38)43-22(2)49/h5-20,40-41,50H,1-4H3,(H,42,48)(H,43,49)",C38H32CrN8O10S2.H,,,,,,XPUNXSYBPVFQCG-UHFFFAOYSA-K,,,,,,,,,,,
100.031.270,234-411-3,12002-22-1,"Sucrose, monoallyl ether",6-O-allylhex-2-ulofuranosyl hexopyranoside,OCC1OC(OC2(CO)OC(COCC=C)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2(CO)OC(COCC=C)C(O)C2O)C(O)C(O)C1O,"InChI=1/C15H26O11/c1-2-3-23-5-8-10(19)13(22)15(6-17,25-8)26-14-12(21)11(20)9(18)7(4-16)24-14/h2,7-14,16-22H,1,3-6H2",C15H26O11,,,,,,JZMPJKMXRXJWDP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.274,234-416-0,12002-53-8,"1,1-dimethylethyl 4(or 5)-chloro-2-methylcyclohexanecarboxylate",tert-butyl 4-chloro-2-methylcyclohexanecarboxylate,CC1CC(Cl)CCC1C(=O)OC(C)(C)C,CC1CC(Cl)CCC1C(=O)OC(C)(C)C,"InChI=1/C12H21ClO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h8-10H,5-7H2,1-4H3",C12H21ClO2,,,,,,APMORJJNVZMVQK-UHFFFAOYSA-N,,,,,,,,,,,
100.031.284,234-427-0,12003-42-8,"Aluminium, compound with iron (1:3)",aluminum - iron (1:3),[AlH3].[Fe].[Fe].[Fe],[AlH3].[Fe].[Fe].[Fe],InChI=1/Al.3Fe.3H/q+3;3*+2;;;/rAlH3.3Fe/h1H3;;;/q+3;3*+2,Al.Fe,,,,,,NBEDFKCDKVKIJL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.286,234-429-1,12003-49-5,Aluminium potassium silicate(1:1:1),-,[AlH3].[KH].[O-][Si](=O)[O-],[AlH3].[KH].[O-][Si](=O)[O-],InChI=1/Al.K.O3Si.4H/c;;1-4(2)3;;;;/q+3;+1;-2;;;;/rAlH3.HK.O3Si/c;;1-4(2)3/h1H3;1H;/q+3;+1;-2,Al.H4O4Si.K,,,,,,LJNDAYPYTHSEHY-UHFFFAOYSA-N,,,,,,,,,,,
100.031.287,234-430-7,12003-51-9,Sodium aluminium silicate(1:1:1),-,[NaH].[AlH3].[O-][Si](=O)[O-],[NaH].[AlH3].[O-][Si](=O)[O-],InChI=1/Al.Na.O3Si.4H/c;;1-4(2)3;;;;/q+3;+1;-2;;;;/rAlH3.HNa.O3Si/c;;1-4(2)3/h1H3;1H;/q+3;+1;-2,Al.H4O4Si.Na,,,,,,YZBQXLFSTZWASV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.305,234-450-6,12004-19-2,"Aluminium, compound with dysprosium (2:1)",aluminum - dysprosium (2:1),[AlH3].[AlH3].[Dy],[AlH3].[AlH3].[Dy],InChI=1/2Al.Dy.6H/q3*+3;;;;;;/r2AlH3.Dy/h2*1H3;/q3*+3,Al.Dy,,,,,,ULPFABSAUUQDPK-UHFFFAOYSA-N,,,,,,,,,,,
100.031.312,234-457-4,12004-62-5,"Aluminium, compound with iron (3:1)",aluminum - iron (3:1),[AlH3].[AlH3].[AlH3].[Fe],[AlH3].[AlH3].[AlH3].[Fe],InChI=1/3Al.Fe.9H/q3*+3;+2;;;;;;;;;/r3AlH3.Fe/h3*1H3;/q3*+3;+2,Al.Fe,,,,,,GLFQGKMDHDHIGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.607,236-984-5,13569-49-8,Rhenium tribromide,-,[Br-].[Br-].[Br-].[Re+2],[Br-].[Br-].[Br-].[Re+2],InChI=1/3BrH.Re/h3*1H;/q;;;+2/p-3,Br3Re,,,,,,FVDZXOXFBYPOAD-UHFFFAOYSA-K,,,,,,,,,,,
100.033.620,236-998-1,13573-08-5,Germanium diiodide,germanium diiodide,[I-].[I-].[Ge+].[Ge+],[I-].[I-].[Ge+].[Ge+],InChI=1/2Ge.2HI/h;;2*1H/q2*+4;;/p-2,GeI2,,,,,,HEDMPACCDNGWEM-UHFFFAOYSA-L,,,,,,,,,,,
100.033.624,237-002-8,13573-15-4,Calcium magnesium silicate(1:2:1),-,[MgH2].[MgH2].[CaH2].[O-][Si](=O)[O-],[MgH2].[MgH2].[CaH2].[O-][Si](=O)[O-],InChI=1/Ca.2Mg.O3Si.6H/c;;;1-4(2)3;;;;;;/q3*+2;-2;;;;;;/rCaH2.2H2Mg.O3Si/c;;;1-4(2)3/h3*1H2;/q3*+2;-2,Ca.1/2H6O7Si2.1/2Mg,,,,,,MTHGIPCZWLJNAA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.126,238-655-1,14618-10-1,"5-nitro-3H-1,2-benzoxathiole 2,2-dioxide","5-nitro-3H-1,2-benzoxathiole 2,2-dioxide",[O-][N+](=O)c1ccc2OS(=O)(=O)Cc2c1,[O-][N+](=O)c1ccc2OS(=O)(=O)Cc2c1,"InChI=1/C7H5NO5S/c9-8(10)6-1-2-7-5(3-6)4-14(11,12)13-7/h1-3H,4H2",C7H5NO5S,,,,,,NKGKZWZGRMZCMO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.127,238-656-7,14618-61-2,"Diethyl (R*,R*)-(±)-2,2'-oxybispropionate","diethyl 2,2'-oxydipropanoate",CCOC(=O)C(C)OC(C)C(=O)OCC,CCOC(=O)C(C)OC(C)C(=O)OCC,"InChI=1/C10H18O5/c1-5-13-9(11)7(3)15-8(4)10(12)14-6-2/h7-8H,5-6H2,1-4H3",C10H18O5,,,,,,RPDMOJMOEXTZSV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.136,238-666-1,14624-13-6,Aluminium tri(octanolate),aluminum trioctan-1-olate,[Al+3].CCCCCCCC[O-].CCCCCCCC[O-].CCCCCCCC[O-],[Al+3].CCCCCCCC[O-].CCCCCCCC[O-].CCCCCCCC[O-],"InChI=1/3C8H17O.Al/c3*1-2-3-4-5-6-7-8-9;/h3*2-8H2,1H3;/q3*-1;+3",C8H18O.1/3Al,,,,,,ZFYVMCFENKKDFG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.388,242-243-7,18368-91-7,"2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol","2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol",CCC1(O)C(C)(C)C2CCC1(C)C2,CCC1(O)C(C)(C)C2CCC1(C)C2,"InChI=1/C12H22O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h9,13H,5-8H2,1-4H3",C12H22O,,,,,,KIPCKEJKGCXRGA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.825,236-123-3,13176-69-7,"1,1,3,3,5,5,7,7,7-nonamethyltetrasiloxanol","1,1,3,3,5,5,7,7,7-nonamethyltetrasiloxan-1-ol",C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O,"InChI=1/C9H28O4Si4/c1-14(2,3)11-16(6,7)13-17(8,9)12-15(4,5)10/h10H,1-9H3",C9H28O4Si4,,,,,,CZSXTFUJNVGZFO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.828,236-127-5,13177-50-9,Sodium docosyl sulphate,sodium docosyl sulfate,[Na+].CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C22H46O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H,23,24,25);/q;+1/p-1",C22H46O4S.Na,,,,,,CVPADSYHPKIYAH-UHFFFAOYSA-M,,,,,,,,,,,
100.032.836,236-135-9,13184-80-0,"2,2'-[oxybis(methylene)]bis[2-[(nitrooxy)methyl]propane-1,3-diyl] tetranitrate","3-(nitrooxy)-2-({3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propoxy}methyl)-2-[(nitrooxy)methyl]propyl nitrate (non-preferred name)",[O-][N+](=O)OCC(COCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],[O-][N+](=O)OCC(COCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],"InChI=1/C10H16N6O19/c17-11(18)30-3-9(4-31-12(19)20,5-32-13(21)22)1-29-2-10(6-33-14(23)24,7-34-15(25)26)8-35-16(27)28/h1-8H2",C10H16N6O19,,,,,,BGXZDPSXQZVBGX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.841,236-141-1,13187-06-9,1-methyl-4-(9H-thioxanthen-9-ylidene)piperidinium hydrogen maleate,1-methyl-4-(9H-thioxanthen-9-ylidene)piperidinium hydrogen but-2-enedioate,C[NH+]1CCC(=C2c3ccccc3Sc4ccccc24)CC1.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+]1CCC(=C2c3ccccc3Sc4ccccc24)CC1.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C19H19NS.C4H4O4/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/p-1",C19H19NS.C4H4O4,,,,,,IPANUAHQWFDVAG-BTJKTKAUSA-M,,,,,,,,,,,
100.032.844,236-144-8,13189-00-9,Zinc methacrylate,zinc bis(2-methylacrylate),[Zn+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Zn+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Zn/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5555,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.844,PIMBTRGLTHJJRV-UHFFFAOYSA-L,,,,,,,,,,,
100.032.847,236-147-4,13191-36-1,"2,5-dibromo-3-methylthiophene","2,5-dibromo-3-methylthiophene",Cc1cc(Br)sc1Br,Cc1cc(Br)sc1Br,"InChI=1/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3",C5H4Br2S,,,,,,IHFXZROPBCBLLG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.851,236-152-1,13194-48-4,Ethoprophos,"O-ethyl S,S-dipropyl dithiophosphate",CCCSP(=O)(OCC)SCCC,CCCSP(=O)(OCC)SCCC,"InChI=1/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3",C8H19O2PS2,,,,,,VJYFKVYYMZPMAB-UHFFFAOYSA-N,Positive,EQ365101|EQ365102|EQ365103|EQ365104|EQ365105|EQ365106|EQ365107|EQ365108|EQ365109,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,215.0326:243.064:172.9856|172.9856:130.9386:114.9614|130.9386:114.9614:172.9857|130.9386:114.9614:96.9509|114.9614:96.9509:130.9386|114.9614:96.9509:130.9386|114.9614:96.9509:64.9787|64.9788:114.9614:94.9175|64.9788:94.9174:114.9614,Eawag,,,,,
100.032.859,236-161-0,13195-79-4,"2,2-dibromo-1-(4-bromophenyl)ethan-1-one","2,2-dibromo-1-(4-bromophenyl)ethanone",BrC(Br)C(=O)c1ccc(Br)cc1,BrC(Br)C(=O)c1ccc(Br)cc1,"InChI=1/C8H5Br3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H",C8H5Br3O,,,,,,KFTUNOVZJWIKFX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.870,236-173-6,13205-56-6,1-methyldecylamine,undecan-2-amine,CCCCCCCCCC(C)N,CCCCCCCCCC(C)N,"InChI=1/C11H25N/c1-3-4-5-6-7-8-9-10-11(2)12/h11H,3-10,12H2,1-2H3",C11H25N,,,,,,NHBKWZCTSMCKDS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.222,239-860-9,15769-56-9,Guluronic acid,D-guluronic acid,O[C@@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O,O[C@@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O,"InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)",C6H10O7,,,,,,IAJILQKETJEXLJ-KLVWXMOXSA-N,,,,,,,,,,,
100.036.223,239-861-4,15769-72-9,Ethoxydiisobutylaluminium,(ethanolato)(diisobutyl)aluminum,CCO[Al](CC(C)C)CC(C)C,CCO[Al](CC(C)C)CC(C)C,"InChI=1/2C4H9.C2H5O.Al/c2*1-4(2)3;1-2-3;/h2*4H,1H2,2-3H3;2H2,1H3;/q;;-1;+1/rC10H23AlO/c1-6-12-11(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3",C10H23AlO,,,,,,XGAIERUWZADBAO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.240,239-880-8,15782-06-6,"Barium 2-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]benzoate (3:2)","barium 2-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]benzoate (3:2)",[Ba].[Ba].[Ba].[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O.[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,[Ba].[Ba].[Ba].[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O.[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/2C17H12N2O9S2.3Ba/c2*20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h2*1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;;3*+2/p-6",C17H12N2O9S2.3/2Ba,,,,,,HOPADBIWZQWJPG-UHFFFAOYSA-H,,,,,,,,,,,
100.038.000,241-816-9,17865-07-5,Propyltriacetoxysilane,propylsilanetriyl triacetate,CCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C,CCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3",C9H16O6Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12723,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.000,DKGZKEKMWBGTIB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.004,241-821-6,17869-11-3,1-amino-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]anthraquinone,"1-amino-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-9,10-anthraquinone",COCCOCCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,COCCOCCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C19H19NO6/c1-24-6-7-25-8-9-26-14-10-13(21)15-16(17(14)20)19(23)12-5-3-2-4-11(12)18(15)22/h2-5,10,21H,6-9,20H2,1H3",C19H19NO6,,,,,,CRMKCODPIHHCGA-UHFFFAOYSA-N,,,,,,,,,,,
100.043.746,248-136-1,26952-37-4,p-(3-oxobutyl)phenyl acetate,4-(3-oxobutyl)phenyl acetate,CC(=O)CCc1ccc(OC(=O)C)cc1,CC(=O)CCc1ccc(OC(=O)C)cc1,"InChI=1/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3",C12H14O3,,,,,,UMIKWXDGXDJQJK-UHFFFAOYSA-N,,,,,,,,,,,
100.043.747,248-137-7,26952-42-1,Trinitroaniline,"2,3,4-trinitroaniline",Nc1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Nc1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N4O6/c7-3-1-2-4(8(11)12)6(10(15)16)5(3)9(13)14/h1-2H,7H2",C6H4N4O6,,,,,,IVOMCIOXYNVSEW-UHFFFAOYSA-N,,,,,,,,,,,
100.043.345,247-695-9,26444-72-4,Tris[(dimethylamino)methyl]phenol,"2,3,4-tris[(dimethylamino)methyl]phenol",CN(C)Cc1ccc(O)c(CN(C)C)c1CN(C)C,CN(C)Cc1ccc(O)c(CN(C)C)c1CN(C)C,"InChI=1/C15H27N3O/c1-16(2)9-12-7-8-15(19)14(11-18(5)6)13(12)10-17(3)4/h7-8,19H,9-11H2,1-6H3",C15H27N3O,,,,,,CIPOCPJRYUFXLL-UHFFFAOYSA-N,,,,,,,,,,,
100.043.352,247-704-6,26446-35-5,Glycerol acetate,"2,3-dihydroxypropyl acetate",CC(=O)OCC(O)CO,CC(=O)OCC(O)CO,"InChI=1/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3",C5H10O4,,,,,,KMZHZAAOEWVPSE-UHFFFAOYSA-N,,,,,,,,,,,
100.043.353,247-705-1,26446-37-7,Disodium C-octadecyl sulphonatosuccinate,disodium 4-(octadecyloxy)-4-oxo-2-sulfonatobutanoate,CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na],CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2/rC22H41NaO7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(24)19-20(22(25)26)31(27,28)30-23;/h20H,2-19H2,1H3,(H,25,26);/q;+1/p-1",C22H42O7S.2Na,,,,,,GIBLJHXLTNHSEO-UHFFFAOYSA-L,,,,,,,,,,,
100.043.358,247-710-9,26447-10-9,Ammonium xylenesulphonate,"ammonium 2,3-dimethylbenzenesulfonate",[NH4+].Cc1cccc(c1C)S(=O)(=O)[O-],[NH4+].Cc1cccc(c1C)S(=O)(=O)[O-],"InChI=1/C8H10O3S.H3N/c1-6-4-3-5-8(7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3",C8H10O3S.H3N,,,,,,MPYVAOBZGSNBFX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.361,247-714-0,26447-40-5,Methylenediphenyl diisocyanate,"1,1'-methylenebis(2-isocyanatobenzene)",O=C=N\\c2ccccc2Cc1ccccc1/N=C=O,O=C=N\c2ccccc2Cc1ccccc1/N=C=O,"InChI=1/C15H10N2O2/c18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17-11-19/h1-8H,9H2",C15H10N2O2,,,,,,JIABEENURMZTTI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.001,250-618-1,31410-01-2,1-allyl-1H-imidazole,1-allyl-1H-imidazole,C=CCn1ccnc1,C=CCn1ccnc1,"InChI=1/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2",C6H8N2,,,,,,XLXCHZCQTCBUOX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.005,250-622-3,31423-92-4,"1,4-dichlorobutene","1,4-dichlorobut-1-ene",ClCCC=CCl,ClCCC=CCl,"InChI=1/C4H6Cl2/c5-3-1-2-4-6/h1,3H,2,4H2",C4H6Cl2,,,,,,SWSOIFQIPTXLOI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.008,250-626-5,31430-18-9,Nocodazole,methyl [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3,"InChI=1/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)",C14H11N3O3S,,,,,,KYRVNWMVYQXFEU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.016,250-634-9,31431-30-8,2-(4-amino-3-nitrobenzoyl)thiophene,(4-amino-3-nitrophenyl)(2-thienyl)methanone,Nc1ccc(cc1[N+](=O)[O-])C(=O)c2cccs2,Nc1ccc(cc1[N+](=O)[O-])C(=O)c2cccs2,"InChI=1/C11H8N2O3S/c12-8-4-3-7(6-9(8)13(15)16)11(14)10-2-1-5-17-10/h1-6H,12H2",C11H8N2O3S,,,,,,JYEFXNUTHWKKGY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.017,250-635-4,31431-39-7,Mebendazole,methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3,"InChI=1/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)",C16H13N3O3,,,,,,OPXLLQIJSORQAM-UHFFFAOYSA-N,Positive/Negative,AU106401|AU106402|AU106403|AU106404|AU106405;SM853401;EQ366801|EQ366802|EQ366803|EQ366804|EQ366805|EQ366806|EQ366807|EQ366808|EQ366809,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,296.103:297.1063:264.0768|264.0767:296.1031:265.0806|264.0765:265.0798:296.1045|264.0775:265.0804:186.0295|264.0777:159.0424:160.0496;264.0768:296.103:105.0335;296.1031:264.0767|264.0769:296.1031:105.0331|264.0769:105.0336:296.1033|264.0769:105.0336:95.0492|105.0336:264.077:95.0492|105.0336:95.0492:105.0448|95.0492:105.0448:77.0386|105.0448:95.0492:77.0386|51.023:50.0152:77.026,Athens_Univ;CASMI_2016;Eawag,SM853455;EQ366851|EQ366852|EQ366853|EQ366854|EQ366855|EQ366856|EQ366857|EQ366858|EQ366859,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,262.0623:294.0886:157.0281;262.0626:294.089|262.0625:294.0889|262.0625:157.0275|262.0626:157.0283:133.0284|262.0627:157.0284:133.0283|157.0284:133.0284:129.0335|129.0335:157.0284:115.0304|115.0304:129.0335:64.0194|64.0194:115.0304:88.0194,CASMI_2016;Eawag
100.040.102,244-129-2,20965-36-0,Tetrahydro-2-(phenylthio)-2H-pyran,2-(phenylsulfanyl)tetrahydro-2H-pyran,C1CCC(OC1)Sc2ccccc2,C1CCC(OC1)Sc2ccccc2,"InChI=1/C11H14OS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2",C11H14OS,,,,,,LWSNXIJOBNOGDX-UHFFFAOYSA-N,,,,,,,,,,,
100.040.103,244-130-8,20968-37-0,"Magnesium 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (1:2)","magnesium bis{3-acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoate}",[MgH2].CC(=O)CNc1c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c1I.CC(=O)CNc2c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c2I,[MgH2].CC(=O)CNc1c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c1I.CC(=O)CNc2c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c2I,"InChI=1/2C12H11I3N2O4.Mg.2H/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;;;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);;;/q;;+2;;/p-2/r2C12H11I3N2O4.H2Mg/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);1H2/q;;+2/p-2",C12H11I3N2O4.1/2Mg,,,,,,AHTNUOKBKIIABW-UHFFFAOYSA-L,,,,,,,,,,,
100.040.104,244-131-3,20970-75-6,3-methylpyridine-2-carbonitrile,3-methylpyridine-2-carbonitrile,Cc1cccnc1C#N,Cc1cccnc1C#N,"InChI=1/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H3",C7H6N2,,,,,,WBXZCDIZXWDPBL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.422,237-879-7,14039-23-7,Trisodium hexacyanocobaltate,trisodium hexakis(cyano-kappaC)cobaltate(3-),[Na+].[Na+].[Na+].N#C[Co-3](C#N)(C#N)(C#N)(C#N)C#N,[Na+].[Na+].[Na+].N#C[Co-3](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Co.3Na/c6*1-2;;;;/q;;;;;;-3;3*+1/rC6CoN6.3Na/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;/q-3;3*+1",C6CoN6.3Na,,,,,,KCPQUJCKQNOSIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.425,237-882-3,14046-39-0,"2-methyl-1,3-benzodioxole","2-methyl-1,3-benzodioxole",CC1Oc2ccccc2O1,CC1Oc2ccccc2O1,"InChI=1/C8H8O2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-6H,1H3",C8H8O2,,,,,,AYEXQFUNWFFKAP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.437,237-895-4,14056-67-8,"2-[2-(piperidin-1-yl)ethoxy]ethyl 10H-pyrido[3,2-b][1,4]benzothiazine-10-carboxylate hydrochloride","2-(2-piperidin-1-ylethoxy)ethyl 10H-pyrido[3,2-b][1,4]benzothiazine-10-carboxylate hydrochloride",Cl.O=C(OCCOCCN1CCCCC1)N2c3ccccc3Sc4cccnc24,Cl.O=C(OCCOCCN1CCCCC1)N2c3ccccc3Sc4cccnc24,"InChI=1/C21H25N3O3S.ClH/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24;/h2-3,6-10H,1,4-5,11-16H2;1H",C21H25N3O3S.xClH,,,,,,FEUBUXUFKHXRKO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.443,237-903-6,14062-18-1,Ethyl 4-methoxyphenylacetate,ethyl (4-methoxyphenyl)acetate,CCOC(=O)Cc1ccc(OC)cc1,CCOC(=O)Cc1ccc(OC)cc1,"InChI=1/C11H14O3/c1-3-14-11(12)8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3",C11H14O3,,,,,,DOCCDOCIYYDLGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.449,237-909-9,14062-80-7,"4-chloro-N,N-dimethylbenzamide","4-chloro-N,N-dimethylbenzamide",CN(C)C(=O)c1ccc(Cl)cc1,CN(C)C(=O)c1ccc(Cl)cc1,"InChI=1/C9H10ClNO/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3",C9H10ClNO,,,,,,FARSXMMESQDZMY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.451,237-912-5,14064-03-0,Magnesium bis(2-ethoxyethanolate),magnesium bis(2-ethoxyethanolate),[Mg+2].CCOCC[O-].CCOCC[O-],[Mg+2].CCOCC[O-].CCOCC[O-],"InChI=1/2C4H9O2.Mg/c2*1-2-6-4-3-5;/h2*2-4H2,1H3;/q2*-1;+2",C4H10O2.1/2Mg,,,,,,CVPGMAAATOZCID-UHFFFAOYSA-N,,,,,,,,,,,
100.034.453,237-914-6,14066-05-8,Scandium(3+) perchlorate,scandium triperchlorate,[Sc+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Sc+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Sc/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Sc,,,,,,UBVKRMCXDCYZQK-UHFFFAOYSA-K,,,,,,,,,,,
100.034.466,237-928-2,14075-53-7,Potassium tetrafluoroborate,potassium tetrafluoroborate,[K+].F[B-](F)(F)F,[K+].F[B-](F)(F)F,"InChI=1/BF4.K/c2-1(3,4)5;/q-1;+1",BF4.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16164,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.466,AKEBROIVCDHVSD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.469,237-931-9,14087-07-1,"3,7-dimethyloct-6-en-2-ol","3,7-dimethyloct-6-en-2-ol",CC(O)C(C)CCC=C(C)C,CC(O)C(C)CCC=C(C)C,"InChI=1/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h6,9-11H,5,7H2,1-4H3",C10H20O,,,,,,UWTUMIHLGMOBPC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.070,241-893-9,17976-32-8,"3-methoxyestra-2,5(10)-dien-17-one","3-methoxyestra-2,5(10)-dien-17-one",COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)C1,COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)C1,"InChI=1/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,15-17H,3,5-11H2,1-2H3",C19H26O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16698,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.070,NSUVCVKCWGOYPV-VXNCWWDNSA-N,,,,,,,,,,,
100.038.074,241-898-6,17977-11-6,2-nitrobutyl methacrylate,2-nitrobutyl methacrylate,CCC(COC(=O)C(=C)C)[N+](=O)[O-],CCC(COC(=O)C(=C)C)[N+](=O)[O-],"InChI=1/C8H13NO4/c1-4-7(9(11)12)5-13-8(10)6(2)3/h7H,2,4-5H2,1,3H3",C8H13NO4,,,,,,DOEOZIKIOFMZJE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.082,241-906-8,17980-64-2,"6-(2-methoxyethoxy)-6-methyl-2,5,7,10-tetraoxa-6-silaundecane","6-(2-methoxyethoxy)-6-methyl-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](C)(OCCOC)OCCOC,COCCO[Si](C)(OCCOC)OCCOC,"InChI=1/C10H24O6Si/c1-11-5-8-14-17(4,15-9-6-12-2)16-10-7-13-3/h5-10H2,1-4H3",C10H24O6Si,,,,,,OLTVTFUBQOLTND-UHFFFAOYSA-N,,,,,,,,,,,
100.038.090,241-915-7,18001-60-0,"1,1,3,3-tetraethoxy-1,3-dimethyldisiloxane","1,1,3,3-tetraethoxy-1,3-dimethyldisiloxane",CCO[Si](C)(OCC)O[Si](C)(OCC)OCC,CCO[Si](C)(OCC)O[Si](C)(OCC)OCC,"InChI=1/C10H26O5Si2/c1-7-11-16(5,12-8-2)15-17(6,13-9-3)14-10-4/h7-10H2,1-6H3",C10H26O5Si2,,,,,,OPHLEQJKSDAYRR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.105,241-931-4,18023-33-1,Tri(isopropoxy)vinylsilane,(triisopropoxyvinyl)silane,CC(C)OC(=C(OC(C)C)OC(C)C)[SiH3],CC(C)OC(=C(OC(C)C)OC(C)C)[SiH3],"InChI=1/C11H24O3Si/c1-7(2)12-10(13-8(3)4)11(15)14-9(5)6/h7-9H,1-6,15H3",C11H24O3Si,,,,,,YLCPDHCWCUMYBI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.106,241-933-5,18023-54-6,2-chloroethyltriisopropoxysilane,(2-chloroethyl)(triisopropoxy)silane,CC(C)O[Si](CCCl)(OC(C)C)OC(C)C,CC(C)O[Si](CCCl)(OC(C)C)OC(C)C,"InChI=1/C11H25ClO3Si/c1-9(2)13-16(8-7-12,14-10(3)4)15-11(5)6/h9-11H,7-8H2,1-6H3",C11H25ClO3Si,,,,,,DDLMFVOFOCTELA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.107,241-934-0,18023-86-4,"3-dodecylthiopropane-1,2-diol","3-(dodecylsulfanyl)propane-1,2-diol",CCCCCCCCCCCCSCC(O)CO,CCCCCCCCCCCCSCC(O)CO,"InChI=1/C15H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15-17H,2-14H2,1H3",C15H32O2S,,,,,,QIPYUDGFTOQZHX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.138,238-668-2,14628-35-4,Maleohydrazide,but-2-enedihydrazide,NNC(=O)\\C=C/C(=O)NN,NNC(=O)\C=C/C(=O)NN,"InChI=1/C4H8N4O2/c5-7-3(9)1-2-4(10)8-6/h1-2H,5-6H2,(H,7,9)(H,8,10)",C4H8N4O2,,,,,,SNVRDQORMVVQBI-UPHRSURJSA-N,,,,,,,,,,,
100.035.141,238-671-9,14630-40-1,Bis(trimethylsilyl)acetylene,"ethyne-1,2-diylbis(trimethylsilane)",C[Si](C)(C)C#C[Si](C)(C)C,C[Si](C)(C)C#C[Si](C)(C)C,"InChI=1/C8H18Si2/c1-9(2,3)7-8-10(4,5)6/h1-6H3",C8H18Si2,,,,,,ZDWYFWIBTZJGOR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.142,238-672-4,14631-08-4,"2-chloropyrimidine-4,5-diamine","2-chloropyrimidine-4,5-diamine",Nc1cnc(Cl)nc1N,Nc1cnc(Cl)nc1N,"InChI=1/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)",C4H5ClN4,,,,,,QDUJVEOOSNUDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.792,247-087-3,25544-81-4,tert-pentylhydrazine monohydrochloride,"(1,1-dimethylpropyl)hydrazine hydrochloride",Cl.CCC(C)(C)NN,Cl.CCC(C)(C)NN,"InChI=1/C5H14N2.ClH/c1-4-5(2,3)7-6;/h7H,4,6H2,1-3H3;1H",C5H14N2.ClH,,,,,,GEBXCFHSFLKPFR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.794,247-089-4,25546-09-2,"3-(4-chloro-2-hydroxyphenyl)-1,1-dimethylurea","3-(4-chloro-2-hydroxyphenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1ccc(Cl)cc1O,CN(C)C(=O)Nc1ccc(Cl)cc1O,"InChI=1/C9H11ClN2O2/c1-12(2)9(14)11-7-4-3-6(10)5-8(7)13/h3-5,13H,1-2H3,(H,11,14)",C9H11ClN2O2,,,,,,DNSFPBQZUFGMGC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.809,247-106-5,25566-16-9,"3,4-dihydroxyhexane-2,5-dione","1,6-dideoxyhexo-2,5-diulose",CC(=O)C(O)C(O)C(=O)C,CC(=O)C(O)C(O)C(=O)C,"InChI=1/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h5-6,9-10H,1-2H3",C6H10O4,,,,,,RQDWELNLPMBYMA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.810,247-107-0,25567-10-6,Toluic acid,4-methylbenzoic acid,Cc1ccc(cc1)C(=O)O,Cc1ccc(cc1)C(=O)O,"InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)",C8H8O2,,,,,,LPNBBFKOUUSUDB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.812,247-109-1,25567-67-3,Chlorodinitrobenzene,"1-chloro-2,3-dinitrobenzene",[O-][N+](=O)c1cccc(Cl)c1[N+](=O)[O-],[O-][N+](=O)c1cccc(Cl)c1[N+](=O)[O-],InChI=1/C6H3ClN2O4/c7-4-2-1-3-5(8(10)11)6(4)9(12)13/h1-3H,C6H3ClN2O4,,,,,,KYDXWCHDUCDNGR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.817,247-114-9,25575-89-7,N-(5-oxo-L-prolyl)-L-histidinohydrazide,N-[2-hydrazino-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide (non-preferred name),NNC(=O)C(Cc1c[nH]cn1)NC(=O)C2CCC(=O)N2,NNC(=O)C(Cc1c[nH]cn1)NC(=O)C2CCC(=O)N2,"InChI=1/C11H16N6O3/c12-17-11(20)8(3-6-4-13-5-14-6)16-10(19)7-1-2-9(18)15-7/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,19)(H,17,20)",C11H16N6O3,,,,,,ZNCVCDONTDKDNY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.821,247-119-6,25586-42-9,Tris(methylphenyl) phosphite,tris(2-methylphenyl) phosphite,Cc1ccccc1OP(Oc2ccccc2C)Oc3ccccc3C,Cc1ccccc1OP(Oc2ccccc2C)Oc3ccccc3C,"InChI=1/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3",C21H21O3P,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5163,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.821,BKHZQJRTFNFCTG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.825,247-123-8,25600-21-9,"3,3-dibromodihydrofuran-2(3H)-one","3,3-dibromodihydrofuran-2(3H)-one",BrC1(Br)CCOC1=O,BrC1(Br)CCOC1=O,InChI=1/C4H4Br2O2/c5-4(6)1-2-8-3(4)7/h1-2H2,C4H4Br2O2,,,,,,KGDUHXZTEOESSN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.180,235-411-6,12221-38-4,3-(3-amino-3-oxopropyl)-2-[[4-(diethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride,"3-(3-amino-3-oxopropyl)-2-{[4-(diethylamino)phenyl]diazenyl}-6-ethoxy-1,3-benzothiazol-3-ium chloride",[Cl-].CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OCC,[Cl-].CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OCC,"InChI=1/C22H27N5O2S.ClH/c1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22;/h7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28);1H",C22H28N5O2S.Cl,,,,,,POELEEGOWIJNBI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.186,235-417-9,12223-30-2,3-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-3-methylphenyl]ethylamino]propiononitrile,3-[(4-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}-3-methylphenyl)(ethyl)amino]propanenitrile,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CCC#N)S(C)(=O)=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CCC#N)S(C)(=O)=O,"InChI=1/C19H21ClN4O2S/c1-4-24(11-5-10-21)15-6-8-18(14(2)12-15)22-23-19-9-7-16(13-17(19)20)27(3,25)26/h6-9,12-13H,4-5,11H2,1-3H3",C19H21ClN4O2S,,,,,,CALNYWCMOCMHSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.188,235-420-5,12223-84-6,4-anilino-3-nitrobenzenesulphonamide,4-anilino-3-nitrobenzenesulfonamide,NS(=O)(=O)c1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-],NS(=O)(=O)c1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-],"InChI=1/C12H11N3O4S/c13-20(18,19)10-6-7-11(12(8-10)15(16)17)14-9-4-2-1-3-5-9/h1-8,14H,(H2,13,18,19)",C12H11N3O4S,,,,,,JNMYHXDAWVTDMS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.193,235-425-2,12225-06-8,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide","3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",O=C(Nc1ccccc1)c6cc(N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3)c(OC)cc6,O=C(Nc1ccccc1)c6cc(N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3)c(OC)cc6,"InChI=1/C32H24N6O5/c1-43-27-14-11-19(30(40)33-20-8-3-2-4-9-20)16-26(27)37-38-28-22-10-6-5-7-18(22)15-23(29(28)39)31(41)34-21-12-13-24-25(17-21)36-32(42)35-24/h2-17,39H,1H3,(H,33,40)(H,34,41)(H2,35,36,42)",C32H24N6O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13914,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.193,LOGJDHWBDGLMNO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.015,241-833-1,17882-06-3,Trimethylsilyl benzenesulphonate,trimethylsilyl benzenesulfonate,C[Si](C)(C)OS(=O)(=O)c1ccccc1,C[Si](C)(C)OS(=O)(=O)c1ccccc1,"InChI=1/C9H14O3SSi/c1-14(2,3)12-13(10,11)9-7-5-4-6-8-9/h4-8H,1-3H3",C9H14O3SSi,,,,,,JCUPGHJJFSUZRF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.016,241-834-7,17885-08-4,DL-serine dihydrogen phosphate,2-amino-3-hydroxypropanoyl dihydrogen phosphate,NC(CO)C(=O)OP(O)(O)=O,NC(CO)C(=O)OP(O)(O)=O,"InChI=1/C3H8NO6P/c4-2(1-5)3(6)10-11(7,8)9/h2,5H,1,4H2,(H2,7,8,9)",C3H8NO6P,,,,,,HEJHDENWXHUVBO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.492,235-755-7,12655-04-8,Antimony barium tartrate,-,[SbH3+3].[Ba+2].OC(C(O)C(=O)[O-])C(=O)[O-],[SbH3+3].[Ba+2].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Ba.Sb.3H/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;/q;+2;+3;;;/p-2/rC4H6O6.Ba.H3Sb/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3/q;+2;+3/p-2",C8H4O12Sb2.Ba,,,,,,CEGNIOKZWKSQBA-UHFFFAOYSA-L,,,,,,,,,,,
100.034.006,237-422-1,13779-92-5,Niobium pentaiodide,-,[I-].[I-].[I-].[I-].[I-].[Nb+2],[I-].[I-].[I-].[I-].[I-].[Nb+2],InChI=1/5HI.Nb/h5*1H;/q;;;;;+2/p-5,I5Nb,,,,,,KUBYLWLCQIJVKB-UHFFFAOYSA-I,,,,,,,,,,,
100.034.008,237-424-2,13780-06-8,Calcium nitrite,calcium dinitrite,[Ca+2].[O-]N=O.[O-]N=O,[Ca+2].[O-]N=O.[O-]N=O,"InChI=1/Ca.2HNO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2",Ca.2HNO2,,,,,,AONJRPXZCVADKF-UHFFFAOYSA-L,,,,,,,,,,,
100.034.009,237-425-8,13780-11-5,Ammonium calcium trinitrate,ammonium calcium trinitrate,[NH4+].[Ca+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[Ca+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ca.3NO3.H3N/c;3*2-1(3)4;/h;;;;1H3/q+2;3*-1;/p+1,Ca.H3N.3HNO3,,,,,,LNGOZSVPSLGOBP-UHFFFAOYSA-O,,,,,,,,,,,
100.034.010,237-426-3,13780-17-1,Calcium sodium phosphate,calcium sodium phosphate,[Na+].[Ca+2].[O-]P(=O)([O-])[O-],[Na+].[Ca+2].[O-]P(=O)([O-])[O-],"InChI=1/Ca.Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+2;+1;/p-3",Ca.H3O4P.Na,,,,,,QXJJQWWVWRCVQT-UHFFFAOYSA-K,,,,,,,,,,,
100.034.024,237-442-0,13784-89-9,Di-sec-butyl oxalate,di-sec-butyl oxalate,CCC(C)OC(=O)C(=O)OC(C)CC,CCC(C)OC(=O)C(=O)OC(C)CC,"InChI=1/C10H18O4/c1-5-7(3)13-9(11)10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3",C10H18O4,,,,,,MTLJANFMXKYOAV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.032,237-450-4,13794-73-5,"[3R-(3a,3aß,6a,7ß,8aa)]-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5(4H)-one",cedran-9-one,CC1CCC2C(C)(C)C3CC12CC(=O)C3C,CC1CCC2C(C)(C)C3CC12CC(=O)C3C,"InChI=1/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3",C15H24O,,,,,,CHPQWDBBFXQHQC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.034,237-453-0,13799-03-6,Protizinic acid,2-(7-methoxy-10-methyl-10H-phenothiazin-2-yl)propanoic acid,COc1ccc2N(C)c3cc(ccc3Sc2c1)C(C)C(=O)O,COc1ccc2N(C)c3cc(ccc3Sc2c1)C(C)C(=O)O,"InChI=1/C17H17NO3S/c1-10(17(19)20)11-4-7-15-14(8-11)18(2)13-6-5-12(21-3)9-16(13)22-15/h4-10H,1-3H3,(H,19,20)",C17H17NO3S,,,,,,VSQMKHNDXWGCDB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.393,242-248-4,18371-74-9,1-chloro-3-(2-hydroxyethoxy)propan-2-ol,1-chloro-3-(2-hydroxyethoxy)propan-2-ol,OCCOCC(O)CCl,OCCOCC(O)CCl,"InChI=1/C5H11ClO3/c6-3-5(8)4-9-2-1-7/h5,7-8H,1-4H2",C5H11ClO3,,,,,,DIBFLXZFUXWPNS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.396,242-252-6,18375-57-0,N-butyl-D-gluconamide,"N-butyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C10H21NO6/c1-2-3-4-11-10(17)9(16)8(15)7(14)6(13)5-12/h6-9,12-16H,2-5H2,1H3,(H,11,17)",C10H21NO6,,,,,,CRYAIAMXDBHCTJ-LURQLKTLSA-N,,,,,,,,,,,
100.038.398,242-254-7,18375-61-6,N-octyl-D-gluconamide,"2,3,4,5,6-pentahydroxy-N-octylhexanamide (non-preferred name)",CCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C14H29NO6/c1-2-3-4-5-6-7-8-15-14(21)13(20)12(19)11(18)10(17)9-16/h10-13,16-20H,2-9H2,1H3,(H,15,21)",C14H29NO6,,,,,,KTMBZDQOFPBYBL-FVCCEPFGSA-N,,,,,,,,,,,
100.038.407,242-264-1,18387-98-9,3-(chlorodimethylsilyl)propyl acetate,3-[chloro(dimethyl)silyl]propyl acetate,CC(=O)OCCC[Si](C)(C)Cl,CC(=O)OCCC[Si](C)(C)Cl,"InChI=1/C7H15ClO2Si/c1-7(9)10-5-4-6-11(2,3)8/h4-6H2,1-3H3",C7H15ClO2Si,,,,,,IWCCPRNJFJRJEG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.409,242-266-2,18388-45-9,Allyldiethoxymethylsilane,"(1,1-diethoxybut-3-en-1-yl)silane",CCOC([SiH3])(CC=C)OCC,CCOC([SiH3])(CC=C)OCC,"InChI=1/C8H18O2Si/c1-4-7-8(11,9-5-2)10-6-3/h4H,1,5-7H2,2-3,11H3",C8H18O2Si,,,,,,UDOOZTSVBGYOAC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.416,242-274-6,18395-93-2,Dichloroheptylmethylsilane,dichloro(heptyl)methylsilane,CCCCCCC[Si](C)(Cl)Cl,CCCCCCC[Si](C)(Cl)Cl,"InChI=1/C8H18Cl2Si/c1-3-4-5-6-7-8-11(2,9)10/h3-8H2,1-2H3",C8H18Cl2Si,,,,,,LFHKZPRSRNZHDM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.111,244-139-7,20991-71-3,"Card-20(22)-enolide, 12-(acetyloxy)-3-[(O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3ß,5ß,12ß)-","12-acetoxy-3-{[2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide",CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(OC(=O)C)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C,CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(OC(=O)C)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C,"InChI=1/C43H66O15/c1-20-38(49)30(45)16-36(52-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)53-35(17-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(55-23(4)44)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3",C43H66O15,,,,,,RNBLZKNCMWHSIG-UHFFFAOYSA-N,,,,,,,,,,,
100.040.117,244-146-5,21016-00-2,"4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-[(2-methoxy-5-methyl-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O,OS(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O,"InChI=1/C20H20N4O13S3/c1-11-9-14(15(36-2)10-16(11)38(28,29)8-7-37-40(33,34)35)21-22-17-18(20(26)27)23-24(19(17)25)12-3-5-13(6-4-12)39(30,31)32/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35)",C20H20N4O13S3,,,,,,XWBRDSPQNJLYFS-UHFFFAOYSA-N,,,,,,,,,,,
100.040.118,244-147-0,21016-19-3,"8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)penta-2,4-dienylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-1-benzopyrylium perchlorate","6-methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)penta-2,4-dien-1-ylidene]-2,4-diphenyl-5,6,7,8-tetrahydrochromenium perchlorate",[O-]Cl(=O)(=O)=O.CC2Cc1c(cc([o+]c1C(C2)=CC=CC=CC=6CC(C)CC=3C=6O/C(=C\\C=3c4ccccc4)c5ccccc5)c7ccccc7)c8ccccc8,[O-]Cl(=O)(=O)=O.CC2Cc1c(cc([o+]c1C(C2)=CC=CC=CC=6CC(C)CC=3C=6O/C(=C\C=3c4ccccc4)c5ccccc5)c7ccccc7)c8ccccc8,"InChI=1/C49H43O2.ClHO4/c1-34-28-40(48-44(30-34)42(36-18-8-3-9-19-36)32-46(50-48)38-22-12-5-13-23-38)26-16-7-17-27-41-29-35(2)31-45-43(37-20-10-4-11-21-37)33-47(51-49(41)45)39-24-14-6-15-25-39;2-1(3,4)5/h3-27,32-35H,28-31H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",C49H43O2.ClO4,,,,,,XOVPRRKXGIHBEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.041.750,245-940-4,23918-07-2,Methyl [4-(allyloxy)-3-chlorophenyl]acetate,methyl [4-(allyloxy)-3-chlorophenyl]acetate,COC(=O)Cc1ccc(OCC=C)c(Cl)c1,COC(=O)Cc1ccc(OCC=C)c(Cl)c1,"InChI=1/C12H13ClO3/c1-3-6-16-11-5-4-9(7-10(11)13)8-12(14)15-2/h3-5,7H,1,6,8H2,2H3",C12H13ClO3,,,,,,ZBTFQAXTOBDXRA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.753,245-944-6,23941-48-2,"1,4-dihydroxy-5,8-bis[(4-methylphenyl)amino]anthraquinone","1,4-dihydroxy-5,8-bis[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c4C(=O)c5c(O)ccc(O)c5C(=O)c24)cc1,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c4C(=O)c5c(O)ccc(O)c5C(=O)c24)cc1,"InChI=1/C28H22N2O4/c1-15-3-7-17(8-4-15)29-19-11-12-20(30-18-9-5-16(2)6-10-18)24-23(19)27(33)25-21(31)13-14-22(32)26(25)28(24)34/h3-14,29-32H,1-2H3",C28H22N2O4,,,,,,OZQQAZPMNWJRDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.757,245-948-8,23945-50-8,"1,2,3,4-tetrahydro-4-oxo-2-thioxopyrimidine-5-carboxylic acid","4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid",OC(=O)C1=CNC(=S)NC1=O,OC(=O)C1=CNC(=S)NC1=O,"InChI=1/C5H4N2O3S/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",C5H4N2O3S,,,,,,XKHWTDCFQVKNHW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.764,245-956-1,23961-95-7,"9ß,11ß-epoxy-6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione","6-fluoro-17,21-dihydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H27FO5/c1-11-6-13-14-8-16(23)15-7-12(25)4-5-19(15,2)22(14)18(28-22)9-20(13,3)21(11,27)17(26)10-24/h4-5,7,11,13-14,16,18,24,27H,6,8-10H2,1-3H3",C22H27FO5,,,,,,NMNNKCZINHXRCS-LWQOSQCCSA-N,,,,,,,,,,,
100.041.401,245-557-2,23287-26-5,Methyl 3-methylsalicylate,methyl 2-hydroxy-3-methylbenzoate,COC(=O)c1cccc(C)c1O,COC(=O)c1cccc(C)c1O,"InChI=1/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3",C9H10O3,,,,,,SUHLUMKZPUMAFP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.403,245-559-3,23288-07-5,"6,7-dimethyl-1H-indene","6,7-dimethyl-1H-indene",Cc1ccc2C=CCc2c1C,Cc1ccc2C=CCc2c1C,"InChI=1/C11H12/c1-8-6-7-10-4-3-5-11(10)9(8)2/h3-4,6-7H,5H2,1-2H3",C11H12,,,,,,OOOBGDSHHYTWFG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.406,245-563-5,23292-93-5,Zinc p-toluate,zinc bis(4-methylbenzoate),[Zn+2].Cc1ccc(cc1)C(=O)[O-].Cc2ccc(cc2)C(=O)[O-],[Zn+2].Cc1ccc(cc1)C(=O)[O-].Cc2ccc(cc2)C(=O)[O-],"InChI=1/2C8H8O2.Zn/c2*1-6-2-4-7(5-3-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Zn,,,,,,RYOLIMKPFQALMC-UHFFFAOYSA-L,,,,,,,,,,,
100.041.409,245-566-1,23305-68-2,"1-(4,5-dimethylthiazol-2-yl)-3,5-diphenylformazan","4,5-dimethyl-2-{2-[phenyl(phenyldiazenyl)methylene]hydrazino}-1,3-thiazole",Cc1nc(N\\N=C(\\N=Nc2ccccc2)/c3ccccc3)sc1C,Cc1nc(N\N=C(\N=Nc2ccccc2)/c3ccccc3)sc1C,"InChI=1/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12H,1-2H3,(H,19,23)",C18H17N5S,,,,,,YTQNSFTVNHYUBQ-LKVHXRRRSA-N,,,,,,,,,,,
100.038.109,241-936-1,18024-09-4,Hexacosafluoro-13-(trifluoromethyl)tetradecanoic acid,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-(trifluoromethyl)tetradecanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C15HF29O2/c16-2(17,1(45)46)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)13(37,38)11(33,34)9(29,30)7(25,26)5(21,22)3(18,14(39,40)41)15(42,43)44/h(H,45,46)",C15HF29O2,,,,,,FQAXLPZGSQABMD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.092,237-516-2,13824-00-5,N-(p-anisyl)-3-hydroxy-N-4-[(4-methylphenyl)azo]naphthalene-2-carboxamide,3-hydroxy-N-(4-methoxyphenyl)-4-[(4-methylphenyl)diazenyl]-2-naphthamide,COc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4ccc(C)cc4)c2O)cc1,COc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4ccc(C)cc4)c2O)cc1,"InChI=1/C25H21N3O3/c1-16-7-9-19(10-8-16)27-28-23-21-6-4-3-5-17(21)15-22(24(23)29)25(30)26-18-11-13-20(31-2)14-12-18/h3-15,29H,1-2H3,(H,26,30)",C25H21N3O3,,,,,,UWMSGQGNEWJUMM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.101,237-526-7,13826-42-1,Dilanthanum trimagnesium dodecanitrate,dilanthanum trimagnesium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[La+3].[La+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[La+3].[La+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2La.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1,HNO3.1/6La.1/4Mg,,,,,,UQNPQKKXQOPCHF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.109,237-535-6,13826-93-2,Dipotassium tetrabromopalladate(2-),dipotassium tetrabromopalladate(2-),[K+].[K+].Br[Pd-2](Br)(Br)Br,[K+].[K+].Br[Pd-2](Br)(Br)Br,"InChI=1/4BrH.2K.Pd/h4*1H;;;/q;;;;2*+1;+4/p-4/rBr4Pd.2K/c1-5(2,3)4;;/q;2*+1",Br4Pd.2K,,,,,,RIURRBMISBBRGH-UHFFFAOYSA-J,,,,,,,,,,,
100.034.110,237-536-1,13826-94-3,Dipotassium tetrabromoplatinate,dipotassium tetrabromoplatinate(2-),[K+].[K+].Br[Pt-2](Br)(Br)Br,[K+].[K+].Br[Pt-2](Br)(Br)Br,InChI=1/4BrH.2K.Pt/h4*1H;;;/q;;;;2*+1;+4/p-4,Br4Pt.2K,,,,,,AXZAYXJCENRGIM-UHFFFAOYSA-J,,,,,,,,,,,
100.034.111,237-537-7,13827-02-6,Potassium trifluorozincate,potassium trifluorozincate(1-),[K+].F[Zn-](F)F,[K+].F[Zn-](F)F,InChI=1/3FH.K.Zn/h3*1H;;/q;;;+1;+2/p-3/rF3Zn.K/c1-4(2)3;/q-1;+1,F3Zn.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10508,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.111,DPYIKVADDNJMDC-UHFFFAOYSA-K,,,,,,,,,,,
100.034.113,237-539-8,13828-37-0,cis-4-(isopropyl)cyclohexanemethanol,(4-isopropylcyclohexyl)methanol,CC(C)[C@@H]1CC[C@H](CO)CC1,CC(C)[C@@H]1CC[C@H](CO)CC1,"InChI=1/C10H20O/c1-8(2)10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3",C10H20O,,,,,,KHWTYGFHPHRQMP-AOOOYVTPSA-N,,,,,,,,,,,
100.035.626,239-205-7,15142-98-0,"Phosphoric acid, tin(4+) salt",-,[Sn+4].[O-]P(=O)([O-])[O-],[Sn+4].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Sn/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+4/p-3",H3O4P.xSn,,,,,,AGUITFDKURIPEN-UHFFFAOYSA-K,,,,,,,,,,,
100.035.627,239-206-2,15145-69-4,1-chloro-3-(dichloromethyl)benzene,1-chloro-3-(dichloromethyl)benzene,ClC(Cl)c1cccc(Cl)c1,ClC(Cl)c1cccc(Cl)c1,"InChI=1/C7H5Cl3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H",C7H5Cl3,,,,,,ACNQJGLSENYFQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.632,239-212-5,15151-51-6,3-aminobenzoic acid hydrochloride,3-aminobenzoic acid hydrochloride,Cl.Nc1cccc(c1)C(=O)O,Cl.Nc1cccc(c1)C(=O)O,"InChI=1/C7H7NO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H,9,10);1H",C7H7NO2.ClH,,,,,,PTTMMENRLMBXGK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.633,239-213-0,15159-40-7,Morpholine-4-carbonyl chloride,morpholine-4-carbonyl chloride,ClC(=O)N1CCOCC1,ClC(=O)N1CCOCC1,InChI=1/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2,C5H8ClNO2,,,,,,XMWFMEYDRNJSOO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.634,239-214-6,15160-31-3,4-nitrophenyl N-[(tert-butoxy)carbonyl]-L-tryptophanate,4-nitrophenyl N-(tert-butoxycarbonyl)-L-tryptophanate,CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc3ccc(cc3)[N+](=O)[O-],CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc3ccc(cc3)[N+](=O)[O-],"InChI=1/C22H23N3O6/c1-22(2,3)31-21(27)24-19(12-14-13-23-18-7-5-4-6-17(14)18)20(26)30-16-10-8-15(9-11-16)25(28)29/h4-11,13,19,23H,12H2,1-3H3,(H,24,27)",C22H23N3O6,,,,,,LQGKMKBNHAFRBV-IBGZPJMESA-N,,,,,,,,,,,
100.030.770,233-860-2,10397-68-9,"2-chloro-N,N-dimethylpropionamide","2-chloro-N,N-dimethylpropanamide",CC(Cl)C(=O)N(C)C,CC(Cl)C(=O)N(C)C,"InChI=1/C5H10ClNO/c1-4(6)5(8)7(2)3/h4H,1-3H3",C5H10ClNO,,,,,,WDOAUKIEENWZNC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.776,233-867-0,10402-24-1,"Phosphoric acid, iron salt",iron(2+) hydrogen phosphate,[Fe].OP(O)(O)=O,[Fe].OP(O)(O)=O,"InChI=1/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;",Fe.xH3O4P,,,,,,RFGNMWINQUUNKG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.777,233-868-6,10402-33-2,4-allyl-2-methoxyphenyl phenylacetate,4-allyl-2-methoxyphenyl phenylacetate,COc1cc(CC=C)ccc1OC(=O)Cc2ccccc2,COc1cc(CC=C)ccc1OC(=O)Cc2ccccc2,"InChI=1/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3",C18H18O3,,,,,,JEEUACXJJPNYOL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.778,233-869-1,10402-47-8,Geranyl valerate,"3,7-dimethylocta-2,6-dien-1-yl valerate",CCCCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCCCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3",C15H26O2,,,,,,CVSWGLSBJFKWMW-SDNWHVSQSA-N,,,,,,,,,,,
100.032.195,235-427-3,12225-18-2,"N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide","N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide",COc3cc(NC(=O)C(N=Nc1cc(OC)c(cc1OC)S(=O)(=O)Nc2ccccc2)C(C)=O)c(cc3Cl)OC,COc3cc(NC(=O)C(N=Nc1cc(OC)c(cc1OC)S(=O)(=O)Nc2ccccc2)C(C)=O)c(cc3Cl)OC,"InChI=1/C26H27ClN4O8S/c1-15(32)25(26(33)28-18-12-20(36-2)17(27)11-21(18)37-3)30-29-19-13-23(39-5)24(14-22(19)38-4)40(34,35)31-16-9-7-6-8-10-16/h6-14,25,31H,1-5H3,(H,28,33)",C26H27ClN4O8S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11078,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.195,WNWZKKBGFYKSGA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.198,235-431-5,12225-83-1,Disodium 6-acetamido-4-hydroxy-3-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate,disodium 6-acetamido-4-hydroxy-3-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)N=Nc3c(cc2ccc(cc2c3O)NC(C)=O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)N=Nc3c(cc2ccc(cc2c3O)NC(C)=O)S([O-])(=O)=O,"InChI=1/C20H19N3O11S3.2Na/c1-12(24)21-14-6-5-13-9-18(36(28,29)30)19(20(25)17(13)11-14)23-22-15-3-2-4-16(10-15)35(26,27)8-7-34-37(31,32)33;;/h2-6,9-11,25H,7-8H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H19N3O11S3.2Na,,,,,,CLTZJLLPARNKJU-UHFFFAOYSA-L,,,,,,,,,,,
100.032.203,235-436-2,12227-50-8,"4',4'''-azobis[N-(9,10-dihydro-9,10-dioxo-1-anthryl)[1,1'-biphenyl]-4-carboxamide]","4',4''-diazene-1,2-diylbis[N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)biphenyl-4-carboxamide]",O=C9c8cccc(NC(=O)c1ccc(cc1)c2ccc(cc2)N=Nc3ccc(cc3)c4ccc(cc4)C(=O)Nc7cccc6C(=O)c5ccccc5C(=O)c67)c8C(=O)c%10ccccc9%10,O=C9c8cccc(NC(=O)c1ccc(cc1)c2ccc(cc2)N=Nc3ccc(cc3)c4ccc(cc4)C(=O)Nc7cccc6C(=O)c5ccccc5C(=O)c67)c8C(=O)c%10ccccc9%10,"InChI=1/C54H32N4O6/c59-49-39-7-1-3-9-41(39)51(61)47-43(49)11-5-13-45(47)55-53(63)35-19-15-31(16-20-35)33-23-27-37(28-24-33)57-58-38-29-25-34(26-30-38)32-17-21-36(22-18-32)54(64)56-46-14-6-12-44-48(46)52(62)42-10-4-2-8-40(42)50(44)60/h1-30H,(H,55,63)(H,56,64)",C54H32N4O6,,,,,,AJDUTMFFZHIJEM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.361,234-511-7,12007-56-6,Calcium tetraborate,calcium tetraborate,[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/4BO3.6Ca/c4*2-1(3)4;;;;;;/q4*-3;6*+2,B4CaO7,,,,,,KKKYJLNWARAYSD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.146,238-677-1,14634-93-6,Zinc bis(N-ethyl-N-phenyldithiocarbamate),zinc bis[ethyl(phenyl)dithiocarbamate],[Zn+2].CCN(C(=S)[S-])c1ccccc1.CCN(C(=S)[S-])c2ccccc2,[Zn+2].CCN(C(=S)[S-])c1ccccc1.CCN(C(=S)[S-])c2ccccc2,"InChI=1/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;;+2/p-2",C18H20N2S4Zn,,,,,,KMNUDJAXRXUZQS-UHFFFAOYSA-L,,,,,,,,,,,
100.035.147,238-678-7,14635-18-8,Ammonium iron tartrate,-,[Fe].N.O=C(O)C(O)C(O)C(O)=O,[Fe].N.O=C(O)C(O)C(O)C(O)=O,"InChI=1/C4H6O6.Fe.H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3/q;+2;",C4H6O6.xFe.xH3N,,,,,,IBUXHMNZFJYVBT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.150,238-681-3,14637-08-2,2-[2-[(3-ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium,"3-(2-{2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-methoxy-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(OC)ccc4sc3C=C(CC)C=C2Sc1ccc(cc1N2CC)OC,[O-]S(=O)(=O)CCC[n+]3c4cc(OC)ccc4sc3C=C(CC)C=C2Sc1ccc(cc1N2CC)OC,"InChI=1/C26H30N2O5S3/c1-5-18(14-25-27(6-2)21-16-19(32-3)8-10-23(21)34-25)15-26-28(12-7-13-36(29,30)31)22-17-20(33-4)9-11-24(22)35-26/h8-11,14-17H,5-7,12-13H2,1-4H3",C26H30N2O5S3,,,,,,BPVXRCNZOAFWOB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.164,238-697-0,14646-29-8,Lutetium(3+) perchlorate,lutetium triperchlorate,[Lu+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Lu+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Lu/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Lu,,,,,,ZPKRKRVQNBTMND-UHFFFAOYSA-K,,,,,,,,,,,
100.035.171,238-704-7,14656-80-5,"Uridine 5'-(trihydrogen diphosphate), mono-a-d-glucopyranosyl ester, sodium salt",-,OCC1OC(OP(=O)(O[Na])OP(=O)(O)OCC2OCC(O)C2O)C(O)C(O)C1O,OCC1OC(OP(=O)(O[Na])OP(=O)(O)OCC2OCC(O)C2O)C(O)C(O)C1O,"InChI=1/C11H22O15P2.Na/c12-1-5-8(15)9(16)10(17)11(24-5)25-28(20,21)26-27(18,19)23-3-6-7(14)4(13)2-22-6;/h4-17H,1-3H2,(H,18,19)(H,20,21);/q;+1/p-1/rC11H21NaO15P2/c12-26-29(21,25-11-10(18)9(17)8(16)5(1-13)24-11)27-28(19,20)23-3-6-7(15)4(14)2-22-6/h4-11,13-18H,1-3H2,(H,19,20)",C15H24N2O17P2.xNa,,,,,,WHQXOYHAMXGYBS-UHFFFAOYSA-M,,,,,,,,,,,
100.035.178,238-712-0,14667-55-1,"2,3,5-trimethylpyrazine","2,3,5-trimethylpyrazine",Cc1cnc(C)c(C)n1,Cc1cnc(C)c(C)n1,"InChI=1/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3",C7H10N2,,,,,,IAEGWXHKWJGQAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.179,238-713-6,14667-59-5,Sodium 2-chloro-5-nitrobenzoate,sodium 2-chloro-5-nitrobenzoate,[Na+].[O-]C(=O)c1cc(ccc1Cl)[N+](=O)[O-],[Na+].[O-]C(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C7H4ClNO4.Na/c8-6-2-1-4(9(12)13)3-5(6)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1",C7H4ClNO4.Na,,,,,,ICIAGWRJFCQQLZ-UHFFFAOYSA-M,,,,,,,,,,,
100.038.422,242-280-9,18403-59-3,"2,2,4-trimethyl-7-(1,1,3,3-tetramethylbutyl)chroman-6-ol","2,2,4-trimethyl-7-(1,1,3,3-tetramethylbutyl)chroman-6-ol",CC1CC(C)(C)Oc2cc(c(O)cc12)C(C)(C)CC(C)(C)C,CC1CC(C)(C)Oc2cc(c(O)cc12)C(C)(C)CC(C)(C)C,"InChI=1/C20H32O2/c1-13-11-20(7,8)22-17-10-15(16(21)9-14(13)17)19(5,6)12-18(2,3)4/h9-10,13,21H,11-12H2,1-8H3",C20H32O2,,,,,,WPFCIJSORUPKTC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.423,242-281-4,18403-67-3,"Bis(2-ethylhexyl) 4,4,11,11-tetrabutyl-6,9-dioxo-5,10-dioxa-3,12-dithia-4,11-distannatetradec-7-enedioate","bis(2-ethylhexyl) 4,4,11,11-tetrabutyl-6,9-dioxo-5,10-dioxa-3,12-dithia-4,11-distannatetradec-7-ene-1,14-dioate",O=C(O[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)CCCC)C=CC(=O)O[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC,O=C(O[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)CCCC)C=CC(=O)O[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/2C10H20O2S.C4H4O4.4C4H9.2Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;5-3(6)1-2-4(7)8;4*1-3-4-2;;/h2*9,13H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);4*1,3-4H2,2H3;;/q;;;;;;;2*+2/p-4/rC40H76O8S2Sn2/c1-9-17-23-35(15-7)31-45-39(43)33-49-51(27-19-11-3,28-20-12-4)47-37(41)25-26-38(42)48-52(29-21-13-5,30-22-14-6)50-34-40(44)46-32-36(16-8)24-18-10-2/h25-26,35-36H,9-24,27-34H2,1-8H3",C40H76O8S2Sn2,,,,,,CAZQGLFLXPFQNS-UHFFFAOYSA-J,,,,,,,,,,,
100.038.425,242-284-0,18404-43-8,"(5ß)-3ß-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide","3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2,"InChI=1/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3",C29H44O7,,,,,,NQOMDNMTNVQXRR-WQLPVBBFSA-N,,,,,,,,,,,
100.038.430,242-289-8,18409-18-2,(E)-2-decenol,dec-2-en-1-ol,CCCCCCC\\C=C\\CO,CCCCCCC\C=C\CO,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-7,10H2,1H3",C10H20O,,,,,,QOPYYRPCXHTOQZ-CMDGGOBGSA-N,,,,,,,,,,,
100.038.441,242-301-1,18426-54-5,Disodium N-(carboxylatomethyl)-N-(1-oxododecyl)glycinate,"disodium 2,2'-(dodecanoylimino)diacetate",[Na+].[Na+].CCCCCCCCCCCC(=O)N(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)N(CC(=O)[O-])CC(=O)[O-],"InChI=1/C16H29NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22;;/h2-13H2,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2",C16H29NO5.2Na,,,,,,CLSCIQBNALVBRX-UHFFFAOYSA-L,,,,,,,,,,,
100.034.382,237-835-7,14017-46-0,Lanthanum(3+) perchlorate,lanthanum triperchlorate,[La+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[La+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.La/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3La,,,,,,MYGVQOYLIMJKKU-UHFFFAOYSA-K,,,,,,,,,,,
100.034.388,237-842-5,14017-56-2,Yttrium(3+) perchlorate,yttrium triperchlorate,[Y+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Y+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Y/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Y,,,,,,IVPOFHHOVYEBFC-UHFFFAOYSA-K,,,,,,,,,,,
100.034.390,237-844-6,14019-91-1,Calcium selenate,calcium selenate,[Ca+2].[O-][Se](=O)(=O)[O-],[Ca+2].[O-][Se](=O)(=O)[O-],"InChI=1/Ca.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Ca.H2O4Se,,,,,,VNTFOCYJYSPBMJ-UHFFFAOYSA-L,,,,,,,,,,,
100.034.401,237-856-1,14024-50-1,"Bis(pentane-2,4-dionato-O,O')chromium",chromium(2+) bis(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Cr]OC(=CC(=O)C)C,CC(=O)C=C(C)O[Cr]OC(=CC(=O)C)C,"InChI=1/2C5H8O2.Cr/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2",C10H14CrO4,,,,,,SBTJABCOFJUGCX-UHFFFAOYSA-L,,,,,,,,,,,
100.034.405,237-860-3,14024-63-6,"Bis(pentane-2,4-dionato-O,O')zinc",zinc bis(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Zn]OC(=CC(=O)C)C,CC(=O)C=C(C)O[Zn]OC(=CC(=O)C)C,"InChI=1/2C5H8O2.Zn/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2",C10H14O4Zn,,,,,,CYDXJXDAFPJUQE-UHFFFAOYSA-L,,,,,,,,,,,
100.034.411,237-867-1,14028-44-5,Amoxapine,"2-chloro-11-piperazin-1-yldibenzo[b,f][1,4]oxazepine",Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1,Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1,"InChI=1/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2",C17H16ClN3O,,,,,,QWGDMFLQWFTERH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.412,237-868-7,14030-00-3,N-benzyloxycarbonyl-L-prolyl-L-alanine,1-[(benzyloxy)carbonyl]-L-prolyl-L-alanine,C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2)C(=O)O,C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2)C(=O)O,"InChI=1/C16H20N2O5/c1-11(15(20)21)17-14(19)13-8-5-9-18(13)16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,19)(H,20,21)",C16H20N2O5,,,,,,XMVYSQUPGXSTJR-AAEUAGOBSA-N,,,,,,,,,,,
100.034.414,237-870-8,14034-57-2,Anilinium p-tolylsulphonate,anilinium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]c2ccccc2,Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]c2ccccc2,"InChI=1/C7H8O3S.C6H7N/c1-6-2-4-7(5-3-6)11(8,9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9,10);1-5H,7H2",C7H8O3S.C6H7N,,,,,,HFWCMJLOMOWFJL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.780,233-871-2,10402-52-5,2-phenylpropyl acetate,2-phenylpropyl acetate,CC(COC(=O)C)c1ccccc1,CC(COC(=O)C)c1ccccc1,"InChI=1/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3",C11H14O2,,,,,,RVPTTWAAIKMYAH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.781,233-872-8,10402-53-6,3-[4-(ß-ethoxyphenethyl)-1-piperazinyl]-2-methylpropiophenone dihydrochloride,3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride,Cl.Cl.CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c3ccccc3,Cl.Cl.CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c3ccccc3,"InChI=1/C24H32N2O2.2ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;;/h4-13,20,23H,3,14-19H2,1-2H3;2*1H",C24H32N2O2.2ClH,,,,,,BPMQVOKMMQFZGV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.783,233-874-9,10403-47-1,2-bromo-5-nitroaniline,2-bromo-5-nitroaniline,Nc1cc(ccc1Br)[N+](=O)[O-],Nc1cc(ccc1Br)[N+](=O)[O-],"InChI=1/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2",C6H5BrN2O2,,,,,,BAAUCXCLMDAZEL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.784,233-875-4,10405-02-4,Trospium chloride,trospium chloride,OC(C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5,OC(C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5,"InChI=1/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1",C25H30NO3.Cl,,,,,,OYYDSUSKLWTMMQ-JKHIJQBDSA-N,,,,,,,,,,,
100.030.789,233-881-7,10411-92-4,cis-4-tert-butylcyclohexyl acetate,4-tert-butylcyclohexyl acetate,CC(=O)O[C@@H]1CC[C@@H](CC1)C(C)(C)C,CC(=O)O[C@@H]1CC[C@@H](CC1)C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11539,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.789,MBZRJSQZCBXRGK-PHIMTYICSA-N,,,,,,,,,,,
100.030.793,233-885-9,10414-75-2,4-[(4-aminophenyl)methyl]-2-chloroaniline,4-(4-aminobenzyl)-2-chloroaniline,Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1,Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1,"InChI=1/C13H13ClN2/c14-12-8-10(3-6-13(12)16)7-9-1-4-11(15)5-2-9/h1-6,8H,7,15-16H2",C13H13ClN2,,,,,,FABSKOVJDIDCHX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.797,233-890-6,10415-88-0,4-phenylbut-2-yl acetate,1-methyl-3-phenylpropyl acetate,CC(CCc1ccccc1)OC(=O)C,CC(CCc1ccccc1)OC(=O)C,"InChI=1/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3",C12H16O2,,,,,,IVEWTAOGAGBQGG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.804,233-897-4,10420-33-4,Dimethyl acetylsuccinate,dimethyl 2-acetylsuccinate,COC(=O)CC(C(=O)C)C(=O)OC,COC(=O)CC(C(=O)C)C(=O)OC,"InChI=1/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3",C8H12O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11159,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.804,XREKLQOUFWBSFH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.810,233-905-6,10428-63-4,Decylthioacetic acid,(decylsulfanyl)acetic acid,CCCCCCCCCCSCC(=O)O,CCCCCCCCCCSCC(=O)O,"InChI=1/C12H24O2S/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h2-11H2,1H3,(H,13,14)",C12H24O2S,,,,,,XFSOHZKOJGKIDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.813,233-908-2,10430-85-0,4-methoxyphenyl methacrylate,4-methoxyphenyl methacrylate,COc1ccc(OC(=O)C(=C)C)cc1,COc1ccc(OC(=O)C(=C)C)cc1,"InChI=1/C11H12O3/c1-8(2)11(12)14-10-6-4-9(13-3)5-7-10/h4-7H,1H2,2-3H3",C11H12O3,,,,,,WIZMCLXMWBKNKH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.816,233-911-9,10431-73-9,Zinc bis[diphenylphosphinate],zinc bis(diphenylphosphinate),[Zn+2].[O-]P(=O)(c1ccccc1)c2ccccc2.[O-]P(=O)(c3ccccc3)c4ccccc4,[Zn+2].[O-]P(=O)(c1ccccc1)c2ccccc2.[O-]P(=O)(c3ccccc3)c4ccccc4,"InChI=1/2C12H11O2P.Zn/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h2*1-10H,(H,13,14);/q;;+2/p-2",C12H11O2P.1/2Zn,,,,,,PJEUXMXPJGWZOZ-UHFFFAOYSA-L,,,,,,,,,,,
100.030.817,233-912-4,10431-98-8,2-ethyl-2-oxazoline,"2-ethyl-4,5-dihydro-1,3-oxazole",CCC1=NCCO1,CCC1=NCCO1,"InChI=1/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3",C5H9NO,,,,,,NYEZZYQZRQDLEH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.970,241-784-6,17824-83-8,"3,4,5,6-tetrachloropyridine-2-carbonitrile","3,4,5,6-tetrachloropyridine-2-carbonitrile",Clc1nc(C#N)c(Cl)c(Cl)c1Cl,Clc1nc(C#N)c(Cl)c(Cl)c1Cl,InChI=1/C6Cl4N2/c7-3-2(1-11)12-6(10)5(9)4(3)8,C6Cl4N2,,,,,,KFPBGJYBKSQIAI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.971,241-785-1,17827-53-1,(1-methylbutyl)triphenylphosphonium bromide,(1-methylbutyl)(triphenyl)phosphonium bromide,[Br-].CCCC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C23H26P.BrH/c1-3-13-20(2)24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-20H,3,13H2,1-2H3;1H/q+1;/p-1",C23H26P.Br,,,,,,RLLNCDBVZIWVDD-UHFFFAOYSA-M,,,,,,,,,,,
100.037.976,241-790-9,17831-88-8,4-chloro-2H-1-benzopyran-2-one,4-chloro-2H-chromen-2-one,ClC1=CC(=O)Oc2ccccc12,ClC1=CC(=O)Oc2ccccc12,InChI=1/C9H5ClO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,C9H5ClO2,,,,,,RKEYJFRSDLEQIE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.983,241-798-2,17841-51-9,Hexapropyldisiloxane,hexapropyldisiloxane,CCC[Si](CCC)(CCC)O[Si](CCC)(CCC)CCC,CCC[Si](CCC)(CCC)O[Si](CCC)(CCC)CCC,"InChI=1/C18H42OSi2/c1-7-13-20(14-8-2,15-9-3)19-21(16-10-4,17-11-5)18-12-6/h7-18H2,1-6H3",C18H42OSi2,,,,,,KHQZLUVCZCAMFU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.415,237-871-3,14034-66-3,Piperidinium toluene-4-sulphonate,piperidinium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].C2CC[NH2+]CC2,Cc1ccc(cc1)S(=O)(=O)[O-].C2CC[NH2+]CC2,"InChI=1/C7H8O3S.C5H11N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,8,9,10);6H,1-5H2",C7H8O3S.C5H11N,,,,,,ZHBMGKRWRNEMOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.419,237-876-0,14038-75-6,Tetrasilver hexacyanoferrate,tetrasilver hexacyanoferrate,[Ag+].[Ag+].[Ag+].[Ag+].N#C[Fe-2](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-2](C#N)(C#N)(C#N)(C#N)C#N,[Ag+].[Ag+].[Ag+].[Ag+].N#C[Fe-2](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-2](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/12CN.4Ag.2Fe/c12*1-2;;;;;;/q;;;;;;;;;;;;4*+1;;/r2C6FeN6.4Ag/c2*8-1-7(2-9,3-10,4-11,5-12)6-13;;;;/q;;4*+1",C6FeN6.4Ag,,,,,,OZRXHDZHTBIVJT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.027,241-846-2,17902-23-7,5-fluoro-1-(tetrahydro-2-furyl)uracil,"5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione",FC1=CN(C2CCCO2)C(=O)NC1=O,FC1=CN(C2CCCO2)C(=O)NC1=O,"InChI=1/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)",C8H9FN2O3,,,,,,WFWLQNSHRPWKFK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.029,241-848-3,17903-05-8,"6-(2-methoxyethoxy)-6-phenyl-2,5,7,10-tetraoxa-6-silaundecane","6-(2-methoxyethoxy)-6-phenyl-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](OCCOC)(OCCOC)c1ccccc1,COCCO[Si](OCCOC)(OCCOC)c1ccccc1,"InChI=1/C15H26O6Si/c1-16-9-12-19-22(20-13-10-17-2,21-14-11-18-3)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3",C15H26O6Si,,,,,,DBXDLSPMDNQBBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.038,241-858-8,17913-18-7,1-chloro-4-methoxybutane,1-chloro-4-methoxybutane,COCCCCCl,COCCCCCl,"InChI=1/C5H11ClO/c1-7-5-3-2-4-6/h2-5H2,1H3",C5H11ClO,,,,,,DFLRARJQZRCCKN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.048,241-869-8,17932-62-6,2-(triethoxysilyl)propiononitrile,2-(triethoxysilyl)propanenitrile,CCO[Si](OCC)(OCC)C(C)C#N,CCO[Si](OCC)(OCC)C(C)C#N,"InChI=1/C9H19NO3Si/c1-5-11-14(12-6-2,13-7-3)9(4)8-10/h9H,5-7H2,1-4H3",C9H19NO3Si,,,,,,DXYXZPDAEJYSJL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.049,241-870-3,17933-85-6,(ethoxy)diphenylvinylsilane,ethoxy(diphenyl)vinylsilane,CCO[Si](C=C)(c1ccccc1)c2ccccc2,CCO[Si](C=C)(c1ccccc1)c2ccccc2,"InChI=1/C16H18OSi/c1-3-17-18(4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h4-14H,2-3H2,1H3",C16H18OSi,,,,,,GGJQEMXRDJPGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.055,241-877-1,17952-11-3,Ethyl pentyl ether,1-ethoxypentane,CCCCCOCC,CCCCCOCC,"InChI=1/C7H16O/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3",C7H16O,,,,,,VDMXPMYSWFDBJB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.059,241-881-3,17955-88-3,"1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane","1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane",CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C15H38O2Si3/c1-9-10-11-12-13-14-15-20(8,16-18(2,3)4)17-19(5,6)7/h9-15H2,1-8H3",C15H38O2Si3,,,,,,SCRSFLUHMDMRFP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.046,237-466-1,13813-23-5,Praseodymium triiodide,praseodymium triiodide,[I-].[I-].[I-].[Pr+3],[I-].[I-].[I-].[Pr+3],InChI=1/3HI.Pr/h3*1H;/q;;;+3/p-3,I3Pr,,,,,,PVEVRIVGNKNWML-UHFFFAOYSA-K,,,,,,,,,,,
100.034.047,237-467-7,13813-24-6,Neodymium triiodide,neodymium triiodide,[I-].[I-].[I-].[Nd+3],[I-].[I-].[I-].[Nd+3],InChI=1/3HI.Nd/h3*1H;/q;;;+3/p-3,I3Nd,,,,,,DKSXWSAKLYQPQE-UHFFFAOYSA-K,,,,,,,,,,,
100.034.050,237-470-3,13813-41-7,Holmium triiodide,holmium triiodide,[I-].[I-].[I-].[Ho+3],[I-].[I-].[I-].[Ho+3],InChI=1/Ho.3HI/h;3*1H/q+3;;;/p-3,HoI3,,,,,,KXCRAPCRWWGWIW-UHFFFAOYSA-K,,,,,,,,,,,
100.034.054,237-475-0,13813-45-1,Lutetium triiodide,lutetium triiodide,[I-].[I-].[I-].[Lu+3],[I-].[I-].[I-].[Lu+3],InChI=1/3HI.Lu/h3*1H;/q;;;+3/p-3,I3Lu,,,,,,NZOCXFRGADJTKP-UHFFFAOYSA-K,,,,,,,,,,,
100.034.056,237-477-1,13813-64-4,Calcium magnesium silicate(1:1:1),-,[MgH2].[CaH2].[O-][Si](=O)[O-],[MgH2].[CaH2].[O-][Si](=O)[O-],InChI=1/Ca.Mg.O3Si.4H/c;;1-4(2)3;;;;/q2*+2;-2;;;;/rCaH2.H2Mg.O3Si/c;;1-4(2)3/h2*1H2;/q2*+2;-2,Ca.H4O4Si.Mg,,,,,,NKXGMEHUUTUQQY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.066,237-488-1,13814-98-7,Strontium tetrafluoroborate(1-),strontium ditetrafluoroborate,[Sr+2].F[B-](F)(F)F.F[B-](F)(F)F,[Sr+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Sr/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Sr,,,,,,PVSFXPZNCSBZDI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.068,237-490-2,13815-30-0,Tripotassium hexafluoroferrate(3-),tripotassium hexafluoroferrate(3-),[K+].[K+].[K+].F[Fe-3](F)(F)(F)(F)F,[K+].[K+].[K+].F[Fe-3](F)(F)(F)(F)F,"InChI=1/6FH.Fe.3K/h6*1H;;;;/q;;;;;;+6;3*+1/p-6/rF6Fe.3K/c1-7(2,3,4,5)6;;;/q;3*+1",F6Fe.3K,,,,,,YJOPEYBIOYYXHY-UHFFFAOYSA-H,,,,,,,,,,,
100.034.073,237-496-5,13820-09-2,"1,1,1-trimethoxypentane","1,1,1-trimethoxypentane",CCCCC(OC)(OC)OC,CCCCC(OC)(OC)OC,"InChI=1/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3",C8H18O3,,,,,,XUXVVQKJULMMKX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.075,237-498-6,13820-40-1,Diammonium tetrachloropalladate,diammonium tetrachloropalladate,[NH4+].[NH4+].Cl[Pd-](Cl)(Cl)Cl.Cl[Pd-](Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Pd-](Cl)(Cl)Cl.Cl[Pd-](Cl)(Cl)Cl,"InChI=1/8ClH.2H3N.2Pd/h8*1H;2*1H3;;/q;;;;;;;;;;2*+4/p-6/r2Cl4Pd.2H3N/c2*1-5(2,3)4;;/h;;2*1H3/p+2",Cl4Pd.2H4N,,,,,,XRGJESICGNTXCM-UHFFFAOYSA-H,,,,,,,,,,,
100.041.410,245-567-7,23305-71-7,"1,1'-(3,3'-dimethoxy-4,4'-biphenylylene)bis[3,5-diphenylformazane]","1,1'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3,5-diphenyl-2,3-dihydro-1H-tetrazole)",COc1cc(ccc1N2NN(N=C2c3ccccc3)c4ccccc4)c5ccc(N6NN(N=C6c7ccccc7)c8ccccc8)c(OC)c5,COc1cc(ccc1N2NN(N=C2c3ccccc3)c4ccccc4)c5ccc(N6NN(N=C6c7ccccc7)c8ccccc8)c(OC)c5,"InChI=1/C40H34N8O2/c1-49-37-27-31(23-25-35(37)45-39(29-15-7-3-8-16-29)41-47(43-45)33-19-11-5-12-20-33)32-24-26-36(38(28-32)50-2)46-40(30-17-9-4-10-18-30)42-48(44-46)34-21-13-6-14-22-34/h3-28,43-44H,1-2H3",C40H34N8O2,,,,,,HPQZHRVFWDLPEY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.411,245-568-2,23306-60-7,4-(ethylsulphonyl)-2-nitroaniline,4-(ethylsulfonyl)-2-nitroaniline,CCS(=O)(=O)c1ccc(N)c(c1)[N+](=O)[O-],CCS(=O)(=O)c1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C8H10N2O4S/c1-2-15(13,14)6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3",C8H10N2O4S,,,,,,NAELBNIEPRXPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.413,245-570-3,23307-05-3,Dimethylamine sulphate,N-methylmethanamine sulfate,CNC.OS(=O)(=O)O,CNC.OS(=O)(=O)O,"InChI=1/C2H7N.H2O4S/c1-3-2;1-5(2,3)4/h3H,1-2H3;(H2,1,2,3,4)",C2H7N.H2O4S,,,,,,NCIDKUDOSHBPMB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.416,245-574-5,23308-53-4,"4,4'-(diphenylmethylene)bis[N,N-diethylaniline","4,4'-(diphenylmethylene)bis(N,N-diethylaniline)",CCN(CC)c1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccc(cc4)N(CC)CC,CCN(CC)c1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccc(cc4)N(CC)CC,"InChI=1/C33H38N2/c1-5-34(6-2)31-23-19-29(20-24-31)33(27-15-11-9-12-16-27,28-17-13-10-14-18-28)30-21-25-32(26-22-30)35(7-3)8-4/h9-26H,5-8H2,1-4H3",C33H38N2,,,,,,WKXQCUSZXNBUPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.417,245-575-0,23308-82-9,3-methoxy-a-methylbenzyl alcohol,1-(3-methoxyphenyl)ethanol,COc1cccc(c1)C(C)O,COc1cccc(c1)C(C)O,"InChI=1/C9H12O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7,10H,1-2H3",C9H12O2,,,,,,ZUBPFBWAXNCEOG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.418,245-576-6,23311-75-3,"N-[4-diazo-2-[[(2-ethylphenyl)amino]sulphonyl]cyclohexa-2,5-dien-1-ylidene]-p-toluenesulphonamide","N-{4-diazo-2-[(2-ethylphenyl)sulfamoyl]cyclohexa-2,5-dien-1-ylidene}-4-methylbenzenesulfonamide",[N-]=[N+]=C/2\\C=C/C(=NS(=O)(=O)c1ccc(C)cc1)\\C(=C\\2)S(=O)(=O)Nc3ccccc3CC,[N-]=[N+]=C/2\C=C/C(=NS(=O)(=O)c1ccc(C)cc1)\C(=C\2)S(=O)(=O)Nc3ccccc3CC,"InChI=1/C21H20N4O4S2/c1-3-16-6-4-5-7-19(16)24-31(28,29)21-14-17(23-22)10-13-20(21)25-30(26,27)18-11-8-15(2)9-12-18/h4-14,24H,3H2,1-2H3",C21H20N4O4S2,,,,,,ORKGLYPHVVPLHD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.424,245-582-9,23323-37-7,1-deoxy-1-(octylamino)-D-glucitol,1-deoxy-1-(octylamino)-D-glucitol,CCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C14H31NO5/c1-2-3-4-5-6-7-8-15-9-11(17)13(19)14(20)12(18)10-16/h11-20H,2-10H2,1H3",C14H31NO5,,,,,,ZRRNJJURLBXWLL-REWJHTLYSA-N,,,,,,,,,,,
100.041.428,245-587-6,23328-62-3,(methylthio)acetaldehyde,(methylsulfanyl)acetaldehyde,CSCC=O,CSCC=O,"InChI=1/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3",C3H6OS,,,,,,NCNSBFDGXBKAKB-UHFFFAOYSA-N,,,,,,,,,,,
100.044.904,249-410-3,29069-24-7,Prednimustine,"11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCc5ccc(cc5)N(CCCl)CCCl,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCc5ccc(cc5)N(CCCl)CCCl,"InChI=1/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3",C35H45Cl2NO6,,,,,,HFVNWDWLWUCIHC-GUPDPFMOSA-N,,,,,,,,,,,
100.044.905,249-411-9,29071-93-0,"3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione","3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C)NC(=O)N(CCO)C1=O,CC1(C)NC(=O)N(CCO)C1=O,"InChI=1/C7H12N2O3/c1-7(2)5(11)9(3-4-10)6(12)8-7/h10H,3-4H2,1-2H3,(H,8,12)",C7H12N2O3,,,,,,PYVLZVPALRXDIK-UHFFFAOYSA-N,,,,,,,,,,,
100.044.908,249-415-0,29081-56-9,Ammonium heptadecafluorooctanesulphonate,"ammonium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate",[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF17O3S.H3N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);1H3",C8HF17O3S.H3N,,,,,,UAWBWGUIUMQJIT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.910,249-417-1,29089-67-6,"1,1,4,4-tetramethylbutane-1,4-diyl bis(isononaneperoxoate)","2,5-dimethylhexane-2,5-diyl bis(7-methyloctaneperoxoate)",CC(C)CCCCCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)CCCCCC(C)C,CC(C)CCCCCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)CCCCCC(C)C,"InChI=1/C26H50O6/c1-21(2)15-11-9-13-17-23(27)29-31-25(5,6)19-20-26(7,8)32-30-24(28)18-14-10-12-16-22(3)4/h21-22H,9-20H2,1-8H3",C26H50O6,,,,,,YFCKFSHPDAWAAH-UHFFFAOYSA-N,,,,,,,,,,,
100.044.911,249-418-7,29089-68-7,"(Z)-9-octadecenyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",2-hydroxy-2-[2-(octadec-9-en-1-yloxy)-2-oxoethyl]succinic acid,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,CCCCCCCC\C=C/CCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h9-10,30H,2-8,11-20H2,1H3,(H,25,26)(H,28,29)",C24H42O7,,,,,,QPXDCWRAUMXWMG-KTKRTIGZSA-N,,,,,,,,,,,
100.044.921,249-429-7,29095-44-1,"N,N-dimethyl-a-oxo-1H-indole-3-acetamide","2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide",CN(C)C(=O)C(=O)c1c[nH]c2ccccc12,CN(C)C(=O)C(=O)c1c[nH]c2ccccc12,"InChI=1/C12H12N2O2/c1-14(2)12(16)11(15)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,1-2H3",C12H12N2O2,,,,,,FIUGYEVWNQNDDO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.988,241-803-8,17851-68-2,3-hydroxy-N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)azo]naphthalene-2-carboxamide,3-hydroxy-N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-2-naphthamide,COc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(OC)cc3)c4O,COc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(OC)cc3)c4O,"InChI=1/C25H21N3O4/c1-31-19-11-7-17(8-12-19)26-25(30)22-15-16-5-3-4-6-21(16)23(24(22)29)28-27-18-9-13-20(32-2)14-10-18/h3-15,29H,1-2H3,(H,26,30)",C25H21N3O4,,,,,,OOMQDSVFACGNNL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.997,241-813-2,17861-06-2,6-ethoxy-1H-purine,6-ethoxy-1H-purine,CCOc1[nH]cnc2ncnc12,CCOc1[nH]cnc2ncnc12,"InChI=1/C7H8N4O/c1-2-12-7-5-6(9-3-8-5)10-4-11-7/h3-4H,2H2,1H3,(H,8,9,10,11)",C7H8N4O,,,,,,BMLKPGJBYUTIHT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.998,241-814-8,17863-38-6,(2-hydroxyethyl)ammonium dihydrogen citrate,2-hydroxyethanaminium dihydrogen citrate,[NH3+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH3+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.C2H7NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1-2-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H,1-3H2/p-2",C6H8O7.xC2H7NO,,,,,,WSAWCZQGMIRDJL-UHFFFAOYSA-L,,,,,,,,,,,
100.032.250,235-488-6,12252-25-4,"Aluminium, compound with europium (2:1)",aluminum - europium (2:1),[AlH3].[AlH3].[Eu],[AlH3].[AlH3].[Eu],InChI=1/2Al.Eu.6H/q2*+3;+2;;;;;;/r2AlH3.Eu/h2*1H3;/q2*+3;+2,Al.Eu,,,,,,DOTCVHNVTPWDGG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.256,235-494-9,12253-45-1,"Aluminium, compound with manganese (4:1)",aluminum - manganese (4:1),[AlH3].[AlH3].[AlH3].[AlH3].[Mn],[AlH3].[AlH3].[AlH3].[AlH3].[Mn],InChI=1/4Al.Mn.12H/q4*+3;+2;;;;;;;;;;;;/r4AlH3.Mn/h4*1H3;/q4*+3;+2,Al.Mn,,,,,,CWKPUWCCGJMCNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.801,240-498-9,16449-54-0,"Tris[2-[[3-(trifluoromethyl)phenyl]amino]benzoato-N,O]aluminium",aluminum tris(2-{[3-(trifluoromethyl)phenyl]amino}benzoate),FC(F)(F)c1cccc(Nc2ccccc2C(=O)O[Al](OC(=O)c3ccccc3Nc4cccc(c4)C(F)(F)F)OC(=O)c5ccccc5Nc6cccc(c6)C(F)(F)F)c1,FC(F)(F)c1cccc(Nc2ccccc2C(=O)O[Al](OC(=O)c3ccccc3Nc4cccc(c4)C(F)(F)F)OC(=O)c5ccccc5Nc6cccc(c6)C(F)(F)F)c1,"InChI=1/3C14H10F3NO2.Al/c3*15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;/h3*1-8,18H,(H,19,20);/q;;;+3/p-3",C42H27AlF9N3O6,,,,,,OSQHGAXCVAYZPZ-UHFFFAOYSA-K,,,,,,,,,,,
100.036.814,240-512-3,16466-61-8,Di-tert-butyl bicarbamate,"di-tert-butyl hydrazine-1,2-dicarboxylate",CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C,CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C,"InChI=1/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)",C10H20N2O4,,,,,,TYSZETYVESRFNT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.815,240-513-9,16469-16-2,Praseodymium trihydroxide,praseodymium trihydroxide,[OH-].[OH-].[OH-].[Pr+3],[OH-].[OH-].[OH-].[Pr+3],InChI=1/3H2O.Pr/h3*1H2;/q;;;+3/p-3,H3O3Pr,,,,,,ZLGIGTLMMBTXIY-UHFFFAOYSA-K,,,,,,,,,,,
100.036.816,240-514-4,16469-17-3,Neodymium trihydroxide,neodymium trihydroxide,[OH-].[OH-].[OH-].[Nd+3],[OH-].[OH-].[OH-].[Nd+3],InChI=1/Nd.3H2O/h;3*1H2/q+3;;;/p-3,H3NdO3,,,,,,ZBAQHMBLDSQPHC-UHFFFAOYSA-K,,,,,,,,,,,
100.036.817,240-516-5,16469-18-4,Gadolinium trihydroxide,gadolinium trihydroxide,[OH-].[OH-].[OH-].[Gd+3],[OH-].[OH-].[OH-].[Gd+3],InChI=1/Gd.3H2O/h;3*1H2/q+3;;;/p-3,GdH3O3,,,,,,ILCLBMDYDXDUJO-UHFFFAOYSA-K,,,,,,,,,,,
100.036.818,240-517-0,16469-19-5,Europium trihydroxide,-,[OH-].[OH-].[OH-].[Eu+2],[OH-].[OH-].[OH-].[Eu+2],InChI=1/Eu.3H2O/h;3*1H2/q+2;;;/p-3,EuH3O3,,,,,,HCIBCWOTCSPUCK-UHFFFAOYSA-K,,,,,,,,,,,
100.036.819,240-518-6,16469-20-8,Ytterbium trihydroxide,-,[OH-].[OH-].[OH-].[Yb+2],[OH-].[OH-].[OH-].[Yb+2],InChI=1/3H2O.Yb.2H/h3*1H2;;;/q;;;+2;;/p-3/r3H2O.H2Yb/h4*1H2/q;;;+2/p-3,H3O3Yb,,,,,,IOZGNJVPCFXXMK-UHFFFAOYSA-K,,,,,,,,,,,
100.036.822,240-521-2,16470-24-9,"Tetrasodium 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate]","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CCO)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CCO)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C40H44N12O16S4.4Na/c53-19-15-51(16-20-54)39-47-35(41-27-7-11-31(12-8-27)69(57,58)59)45-37(49-39)43-29-5-3-25(33(23-29)71(63,64)65)1-2-26-4-6-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(17-21-55)18-22-56)42-28-9-13-32(14-10-28)70(60,61)62;;;;/h1-14,23-24,53-56H,15-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4",C40H44N12O16S4.4Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16029,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.822,CPZFDTYTCMAAQX-MBCFVHIPSA-J,,,,,,,,,,,
100.036.823,240-522-8,16470-41-0,"2-(2-ethoxy-1-butenyl)-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium","3-[2-(2-ethoxybut-1-en-1-yl)naphtho[1,2-d][1,3]thiazol-1-ium-1-yl]propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c2c(ccc1ccccc12)sc3C=C(CC)OCC,[O-]S(=O)(=O)CCC[n+]3c2c(ccc1ccccc12)sc3C=C(CC)OCC,"InChI=1/C20H23NO4S2/c1-3-16(25-4-2)14-19-21(12-7-13-27(22,23)24)20-17-9-6-5-8-15(17)10-11-18(20)26-19/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3",C20H23NO4S2,,,,,,ZYECOWRNUCPBQN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.830,240-530-1,16473-66-8,"1,1'-methylenebis(5-L-oxoproline)","1,1'-methylenebis(5-oxopyrrolidine-2-carboxylic acid) (non-preferred name)",OC(=O)C1CCC(=O)N1CN2C(CCC2=O)C(=O)O,OC(=O)C1CCC(=O)N1CN2C(CCC2=O)C(=O)O,"InChI=1/C11H14N2O6/c14-8-3-1-6(10(16)17)12(8)5-13-7(11(18)19)2-4-9(13)15/h6-7H,1-5H2,(H,16,17)(H,18,19)",C11H14N2O6,,,,,,XAYYGTJLXVXLMB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.180,238-714-1,14670-04-3,Ethyl 3-chloro-p-anisate,ethyl 3-chloro-4-methoxybenzoate,CCOC(=O)c1ccc(OC)c(Cl)c1,CCOC(=O)c1ccc(OC)c(Cl)c1,"InChI=1/C10H11ClO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3H2,1-2H3",C10H11ClO3,,,,,,HEKNQCPDISZPCL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.181,238-715-7,14674-83-0,"Disodium hydrogen 2-[[7-[(2-arsonophenyl)azo]-1,8-dihydroxy-3,6-disulphonato-2-naphthyl]azo]benzoate","disodium hydrogen 2-({7-[(2-arsonophenyl)diazenyl]-1,8-dihydroxy-3,6-disulfonato-2-naphthyl}diazenyl)benzoate",[H+].[Na+].[Na+].O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2C([O-])=O)c3O)S([O-])(=O)=O,[H+].[Na+].[Na+].O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2C([O-])=O)c3O)S([O-])(=O)=O,"InChI=1/C23H17AsN4O13S2.2Na.H2/c29-21-18-11(9-16(42(36,37)38)19(21)27-25-14-7-3-1-5-12(14)23(31)32)10-17(43(39,40)41)20(22(18)30)28-26-15-8-4-2-6-13(15)24(33,34)35;;;/h1-10,29-30H,(H,31,32)(H2,33,34,35)(H,36,37,38)(H,39,40,41);;;1H/q;3*+1/p-3",C23H17AsN4O13S2.2Na,,,,,,CSAPCZMCZFCISN-UHFFFAOYSA-L,,,,,,,,,,,
100.035.182,238-716-2,14675-77-5,"3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(methyl)ammonium p-toluenesulphonate","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-aminium 4-methylbenzenesulfonate",C[NH2+]CCC=C1c2ccccc2CCc3ccccc13.Cc4ccc(cc4)S(=O)(=O)[O-],C[NH2+]CCC=C1c2ccccc2CCc3ccccc13.Cc4ccc(cc4)S(=O)(=O)[O-],"InChI=1/C19H21N.C7H8O3S/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7-11,20H,6,12-14H2,1H3;2-5H,1H3,(H,8,9,10)",C19H21N.C7H8O3S,,,,,,YVGGYSKPXAALKV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.188,238-723-0,14680-77-4,Potassium tetrakis(p-chlorophenyl)borate(1-),potassium tetrakis(4-chlorophenyl)borate(1-),[K+].Clc1ccc(cc1)[B-](c2ccc(Cl)cc2)(c3ccc(Cl)cc3)c4ccc(Cl)cc4,[K+].Clc1ccc(cc1)[B-](c2ccc(Cl)cc2)(c3ccc(Cl)cc3)c4ccc(Cl)cc4,"InChI=1/C24H16BCl4.K/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1",C24H16BCl4.K,,,,,,SAGICZRAKJSWLD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.192,238-727-2,14686-13-6,trans-hept-2-ene,hept-2-ene,CCCC\\C=C\\C,CCCC\C=C\C,"InChI=1/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3",C7H14,,,,,,OTTZHAVKAVGASB-HWKANZROSA-N,,,,,,,,,,,
100.042.833,247-132-7,25619-56-1,Barium bis(dinonylnaphthalenesulphonate),"barium bis(2,3-dinonylnaphthalene-1-sulfonate)",[Ba+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-],[Ba+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-],"InChI=1/2C28H44O3S.Ba/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2",C28H44O3S.1/2Ba,,,,,,YSIQDTZQRDDQNF-UHFFFAOYSA-L,,,,,,,,,,,
100.042.835,247-134-8,25620-58-0,"Trimethylhexane-1,6-diamine","5,6-dimethylheptane-1,6-diamine",CC(CCCCN)C(C)(C)N,CC(CCCCN)C(C)(C)N,"InChI=1/C9H22N2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7,10-11H2,1-3H3",C9H22N2,,,,,,HUXPKQXHDPXCMM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.840,247-140-0,25632-28-4,"1,5-dihydroxy-4,8-bis(phenylamino)anthraquinone","1,5-dianilino-4,8-dihydroxy-9,10-anthraquinone",Oc1ccc(Nc2ccccc2)c3C(=O)c4c(O)ccc(Nc5ccccc5)c4C(=O)c13,Oc1ccc(Nc2ccccc2)c3C(=O)c4c(O)ccc(Nc5ccccc5)c4C(=O)c13,"InChI=1/C26H18N2O4/c29-19-13-11-17(27-15-7-3-1-4-8-15)21-23(19)26(32)22-18(28-16-9-5-2-6-10-16)12-14-20(30)24(22)25(21)31/h1-14,27-30H",C26H18N2O4,,,,,,RLIBFQOMSWBRGU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.841,247-141-6,25635-12-5,Allyl nicotinate,allyl nicotinate,C=CCOC(=O)c1cccnc1,C=CCOC(=O)c1cccnc1,"InChI=1/C9H9NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h2-5,7H,1,6H2",C9H9NO2,,,,,,SJUZMXLTUGZSSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.844,247-144-2,25637-84-7,"Dioleic acid, diester with glycerol","2-hydroxypropane-1,3-diyl bisoctadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3",C39H72O5,,,,,,DRAWQKGUORNASA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.848,247-148-4,25637-99-4,Hexabromocyclododecane,"1,3,5,7,9,11-hexabromocyclododecane",BrC1CC(Br)CC(Br)CC(Br)CC(Br)CC(Br)C1,BrC1CC(Br)CC(Br)CC(Br)CC(Br)CC(Br)C1,"InChI=1/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2",C12H18Br6,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15003,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.848,LEOCKULGXOQRTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.850,247-151-0,25638-88-4,Beryllium zinc silicate,-,[Be+2].[Zn+2].[O-][Si](=O)[O-],[Be+2].[Zn+2].[O-][Si](=O)[O-],InChI=1/Be.O3Si.Zn/c;1-4(2)3;/q+2;-2;+2,Be.xH4O4Si.xZn,,,,,,IHJMESVDLGRVOB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.854,247-155-2,25640-71-5,Tris(1-phenylethyl)phenol,"2,3,4-tris(1-phenylethyl)phenol",CC(c1ccccc1)c2ccc(O)c(C(C)c3ccccc3)c2C(C)c4ccccc4,CC(c1ccccc1)c2ccc(O)c(C(C)c3ccccc3)c2C(C)c4ccccc4,"InChI=1/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-20-28(31)30(23(3)26-17-11-6-12-18-26)29(27)22(2)25-15-9-5-10-16-25/h4-23,31H,1-3H3",C30H30O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16569,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.854,SFJOBYZKUSLNIG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.085,237-508-9,13821-08-4,Dicalcium hexacyanoferrate,dicalcium hexacyanoferrate,[Ca+2].[Ca+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,[Ca+2].[Ca+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.2Ca.Fe/c6*1-2;;;/q;;;;;;2*+2;/rC6FeN6.2Ca/c8-1-7(2-9,3-10,4-11,5-12)6-13;;/q;2*+2",C6FeN6.2Ca,,,,,,IRSNWHRUYREHAY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.088,237-512-0,13822-63-4,"[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methanol","[{4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl}(methoxymethyl)amino]methanol",COCN(CO)c1nc(nc(n1)N(COC)COC)N(COC)COC,COCN(CO)c1nc(nc(n1)N(COC)COC)N(COC)COC,"InChI=1/C14H28N6O6/c1-22-7-18(6-21)12-15-13(19(8-23-2)9-24-3)17-14(16-12)20(10-25-4)11-26-5/h21H,6-11H2,1-5H3",C14H28N6O6,,,,,,JQALNNOQTGZTJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.091,237-515-7,13823-50-2,Potassium sulphamate,potassium sulfamate,[K+].NS(=O)(=O)[O-],[K+].NS(=O)(=O)[O-],"InChI=1/K.H3NO3S/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",H3NO3S.K,,,,,,BTAAXEFROUUDIL-UHFFFAOYSA-M,,,,,,,,,,,
100.038.448,242-309-5,18433-93-7,"2-isobutyl-4-methyl-1,3-dioxolane","2-isobutyl-4-methyl-1,3-dioxolane",CC(C)CC1OCC(C)O1,CC(C)CC1OCC(C)O1,"InChI=1/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3",C8H16O2,,,,,,PDVLTWPJDBXATJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.450,242-311-6,18434-12-3,"1,2-diphenyl-1H-indole","1,2-diphenyl-1H-indole",c1ccc(cc1)c2cc3ccccc3n2c4ccccc4,c1ccc(cc1)c2cc3ccccc3n2c4ccccc4,InChI=1/C20H15N/c1-3-9-16(10-4-1)20-15-17-11-7-8-14-19(17)21(20)18-12-5-2-6-13-18/h1-15H,C20H15N,,,,,,BRIKLJCDBBFRAE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.452,242-313-7,18435-45-5,Nonadec-1-ene,nonadec-1-ene,CCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCC=C,"InChI=1/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3",C19H38,,,,,,NHLUYCJZUXOUBX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.453,242-314-2,18435-53-5,Triacont-1-ene,triacont-1-ene,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-30H2,2H3",C30H60,,,,,,WMZHDICSCDKPFS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.455,242-316-3,18436-37-8,3-hexyldihydrofuran-2(3H)-one,3-hexyldihydrofuran-2(3H)-one,CCCCCCC1CCOC1=O,CCCCCCC1CCOC1=O,"InChI=1/C10H18O2/c1-2-3-4-5-6-9-7-8-12-10(9)11/h9H,2-8H2,1H3",C10H18O2,,,,,,IBVDLVUXSDSVQF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.459,242-321-0,18441-60-6,"2,3,4,5-tetramethylpyridine","2,3,4,5-tetramethylpyridine",Cc1cnc(C)c(C)c1C,Cc1cnc(C)c(C)c1C,"InChI=1/C9H13N/c1-6-5-10-9(4)8(3)7(6)2/h5H,1-4H3",C9H13N,,,,,,BKCIQPUIDHPJSI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.461,242-323-1,18441-77-5,"1-(2-aminoethyl)-2-methoxy-2,4-dimethyl-1-aza-2-silacyclopentane","2-(2-methoxy-2,4-dimethyl-1,2-azasilolidin-1-yl)ethanamine",CO[Si]1(C)CC(C)CN1CCN,CO[Si]1(C)CC(C)CN1CCN,"InChI=1/C8H20N2OSi/c1-8-6-10(5-4-9)12(3,7-8)11-2/h8H,4-7,9H2,1-3H3",C8H20N2OSi,,,,,,LQYCLWLZOFYFOY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.463,242-325-2,18444-66-1,"2,16a,20,25-tetrahydroxy-9ß-methyl-10a,-19-norlanosta-1,5,23(E)-triene-3,11,22-trione 25-acetate","2,16,20-trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate",CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C,CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C,"InChI=1/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3",C32H44O8,,,,,,NDYMQXYDSVBNLL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.465,242-327-3,18445-22-2,"cis2-hexyl-1,3-dioxan-5-ol","2-hexyl-1,3-dioxan-5-ol",CCCCCCC1OCC(O)CO1,CCCCCCC1OCC(O)CO1,"InChI=1/C10H20O3/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h9-11H,2-8H2,1H3",C10H20O3,,,,,,ZIWLHBBLQRQFSA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.467,242-329-4,18446-94-1,"trans-a,4-dimethylcyclohexane-1-methanol",1-(4-methylcyclohexyl)ethanol,CC(O)[C@@H]1CC[C@@H](C)CC1,CC(O)[C@@H]1CC[C@@H](C)CC1,"InChI=1/C9H18O/c1-7-3-5-9(6-4-7)8(2)10/h7-10H,3-6H2,1-2H3",C9H18O,,,,,,KAUADGCMTGZSPE-AGALZMSESA-N,,,,,,,,,,,
100.038.470,242-333-6,18448-68-5,1-(dodecyloxy)-3-[(2-hydroxyethyl)amino]propan-2-ol,1-(dodecyloxy)-3-[(2-hydroxyethyl)amino]propan-2-ol,CCCCCCCCCCCCOCC(O)CNCCO,CCCCCCCCCCCCOCC(O)CNCCO,"InChI=1/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-16-17(20)15-18-12-13-19/h17-20H,2-16H2,1H3",C17H37NO3,,,,,,FUVVCZPEOKAHJS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.472,242-335-7,18450-73-2,"(R,R)-(+)-2,4-dimethylheptan-1-ol","2,4-dimethylheptan-1-ol",CCC[C@@H](C)C[C@@H](C)CO,CCC[C@@H](C)C[C@@H](C)CO,"InChI=1/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,HVRFWRROUIDGQO-RKDXNWHRSA-N,,,,,,,,,,,
100.038.475,242-338-3,18453-32-2,(4-bromophenyl)-2-pyridyl ketone,bis[3-(4-bromophenyl)pyridin-2-yl]methanone,Brc1ccc(cc1)c2cccnc2C(=O)c3ncccc3c4ccc(Br)cc4,Brc1ccc(cc1)c2cccnc2C(=O)c3ncccc3c4ccc(Br)cc4,InChI=1/C23H14Br2N2O/c24-17-9-5-15(6-10-17)19-3-1-13-26-21(19)23(28)22-20(4-2-14-27-22)16-7-11-18(25)12-8-16/h1-14H,C12H8BrNO,,,,,,MGVLSTVMENBYCB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.028,250-648-5,31473-75-3,"Perylo[1,12-bcd]thiophene","perylo[1,12-bcd]thiophene",c1cc2ccc3sc4ccc5cccc6c(c1)c2c3c4c56,c1cc2ccc3sc4ccc5cccc6c(c1)c2c3c4c56,InChI=1/C20H10S/c1-3-11-7-9-15-19-17(11)13(5-1)14-6-2-4-12-8-10-16(21-15)20(19)18(12)14/h1-10H,C20H10S,,,,,,BBANANIMTSEOOP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.036,250-656-9,31494-35-6,Iron trilaurate,iron(3+) tridodecanoate,[Fe+3].[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC,[Fe+3].[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC,"InChI=1/3C12H24O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);/q;;;+3/p-3",C12H24O2.1/3Fe,,,,,,FLJAJLOHHVNRHU-UHFFFAOYSA-K,,,,,,,,,,,
100.046.042,250-663-7,31502-19-9,(E)-non-6-en-1-ol,non-6-en-1-ol,CC\\C=C\\CCCCCO,CC\C=C\CCCCCO,"InChI=1/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3",C9H18O,,,,,,XJHRZBIBSSVCEL-ONEGZZNKSA-N,,,,,,,,,,,
100.046.046,250-667-9,31508-44-8,Methyl 2-phenylpropionate,methyl hydratropate,COC(=O)C(C)c1ccccc1,COC(=O)C(C)c1ccccc1,"InChI=1/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3",C10H12O2,,,,,,DZIQUZJSNSZOCH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.050,250-672-6,31515-43-2,1-nitro-2-(phenylsulphonyl)benzene,1-nitro-2-(phenylsulfonyl)benzene,[O-][N+](=O)c1ccccc1S(=O)(=O)c2ccccc2,[O-][N+](=O)c1ccccc1S(=O)(=O)c2ccccc2,"InChI=1/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H",C12H9NO4S,,,,,,GKNMUCPEXSCGKC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.056,250-678-9,31522-10-8,"2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl [4,5-dihydro-4-methyl-1-[4-(methylsulphonyl)phenyl]-5-oxo-1H-pyrazol-3-yl]carbamate","2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl {4-methyl-1-[4-(methylsulfonyl)phenyl]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}carbamate",CCCCCCCCCCCCCCc1cc(Cl)c(C)cc1OCCOC(=O)NC2=NN(C(=O)C2C)c3ccc(cc3)S(=O)(=O)C,CCCCCCCCCCCCCCc1cc(Cl)c(C)cc1OCCOC(=O)NC2=NN(C(=O)C2C)c3ccc(cc3)S(=O)(=O)C,"InChI=1/C35H50ClN3O6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-28-25-31(36)26(2)24-32(28)44-22-23-45-35(41)37-33-27(3)34(40)39(38-33)29-18-20-30(21-19-29)46(4,42)43/h18-21,24-25,27H,5-17,22-23H2,1-4H3,(H,37,38,41)",C35H50ClN3O6S,,,,,,AQLADWRJWIVBQK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.059,250-682-0,31529-29-0,4-(2-carboxyindol-3-yl)butyric acid,3-(3-carboxypropyl)-1H-indole-2-carboxylic acid,OC(=O)CCCc1c([nH]c2ccccc12)C(=O)O,OC(=O)CCCc1c([nH]c2ccccc12)C(=O)O,"InChI=1/C13H13NO4/c15-11(16)7-3-5-9-8-4-1-2-6-10(8)14-12(9)13(17)18/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,17,18)",C13H13NO4,,,,,,IAFOXRHFSQERNU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.063,250-686-2,31537-71-0,"2-acetyl-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline","2-acetyl-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline",COc1ccc(CC2N(CCc3cc(OC)c(OC)cc23)C(=O)C)cc1OC,COc1ccc(CC2N(CCc3cc(OC)c(OC)cc23)C(=O)C)cc1OC,"InChI=1/C22H27NO5/c1-14(24)23-9-8-16-12-21(27-4)22(28-5)13-17(16)18(23)10-15-6-7-19(25-2)20(11-15)26-3/h6-7,11-13,18H,8-10H2,1-5H3",C22H27NO5,,,,,,JIDKUPJJVWNDTF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.772,245-965-0,23978-55-4,"1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","1,4,10,13-tetraoxa-7,16-diazacyclooctadecane",C1COCCOCCNCCOCCOCCN1,C1COCCOCCNCCOCCOCCN1,"InChI=1/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2",C12H26N2O4,,,,,,NLMDJJTUQPXZFG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.773,245-966-6,23979-41-1,(R)-6-methoxy-a-methylnaphthalene-1-acetic acid,2-(6-methoxy-1-naphthyl)propanoic acid,COc1ccc2c(cccc2c1)[C@@H](C)C(=O)O,COc1ccc2c(cccc2c1)[C@@H](C)C(=O)O,"InChI=1/C14H14O3/c1-9(14(15)16)12-5-3-4-10-8-11(17-2)6-7-13(10)12/h3-9H,1-2H3,(H,15,16)",C14H14O3,,,,,,XQMPFCWHEKIBNV-SECBINFHSA-N,,,,,,,,,,,
100.041.780,245-973-4,23996-16-9,2-undecyl-1H-imidazole-1-propiononitrile,3-(2-undecyl-1H-imidazol-1-yl)propanenitrile,CCCCCCCCCCCc1nccn1CCC#N,CCCCCCCCCCCc1nccn1CCC#N,"InChI=1/C17H29N3/c1-2-3-4-5-6-7-8-9-10-12-17-19-14-16-20(17)15-11-13-18/h14,16H,2-12,15H2,1H3",C17H29N3,,,,,,SZUPZARBRLCVCB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.781,245-975-5,23996-25-0,2-ethyl-4-methyl-1H-imidazole-1-propiononitrile,3-(2-ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile,CCc1nc(C)cn1CCC#N,CCc1nc(C)cn1CCC#N,"InChI=1/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3",C9H13N3,,,,,,UIDDPPKZYZTEGS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.784,245-978-1,23999-64-6,6-methoxy-2-methylbenzoxazole,"6-methoxy-2-methyl-1,3-benzoxazole",COc1ccc2nc(C)oc2c1,COc1ccc2nc(C)oc2c1,"InChI=1/C9H9NO2/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3",C9H9NO2,,,,,,IMRVVUQHPUZLSC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.791,245-986-5,24017-47-8,Triazophos,"O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) thiophosphate",CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2,CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2,"InChI=1/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",C12H16N3O3PS,,,,,,AMFGTOFWMRQMEM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.795,245-990-7,24026-94-6,"a-(methylamino)furan-2-acetonitrile, monohydrochloride",2-furyl(methylamino)acetonitrile hydrochloride,Cl.CNC(C#N)c1occc1,Cl.CNC(C#N)c1occc1,"InChI=1/C7H8N2O.ClH/c1-9-6(5-8)7-3-2-4-10-7;/h2-4,6,9H,1H3;1H",C7H8N2O.ClH,,,,,,NLSCKUSPZVATEV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.833,240-533-8,16479-50-8,"3ß-[[2,6-dideoxy-4-O-(2,6-dideoxy-ß-D-ribo-hexopyranosyl)-ß-D\-ribo-hexopyranosyl]oxy]-14-hydroxy-5ß-card-20(22)-enolide","3-{[2,6-dideoxy-4-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide",CC1OC(CC(O)C1O)OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC6(C)C(CCC56O)C7=CC(=O)OC7)C3)OC2C,CC1OC(CC(O)C1O)OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC6(C)C(CCC56O)C7=CC(=O)OC7)C3)OC2C,"InChI=1/C35H54O10/c1-18-31(39)26(36)15-30(42-18)45-32-19(2)43-29(16-27(32)37)44-22-7-10-33(3)21(14-22)5-6-25-24(33)8-11-34(4)23(9-12-35(25,34)40)20-13-28(38)41-17-20/h13,18-19,21-27,29-32,36-37,39-40H,5-12,14-17H2,1-4H3",C35H54O10,,,,,,CERUVRSAHAFOLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.841,240-542-7,16485-99-7,Diethyl (3-chloroallyl)phosphonate,diethyl (3-chloroprop-2-en-1-yl)phosphonate,CCOP(=O)(C\\C=C\\Cl)OCC,CCOP(=O)(C\C=C\Cl)OCC,"InChI=1/C7H14ClO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h5-6H,3-4,7H2,1-2H3",C7H14ClO3P,,,,,,XENNXUCIWBEUFL-AATRIKPKSA-N,,,,,,,,,,,
100.033.714,237-101-6,13616-83-6,"Di(2,4-xylyl) disulphide","1,1'-disulfanediylbis(2,4-dimethylbenzene)",Cc1ccc(SSc2ccc(C)cc2C)c(C)c1,Cc1ccc(SSc2ccc(C)cc2C)c(C)c1,"InChI=1/C16H18S2/c1-11-5-7-15(13(3)9-11)17-18-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3",C16H18S2,,,,,,RPYHJOQRKNEXCU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.715,237-102-1,13617-28-2,Dichloromethyl(2-phenylpropyl)silane,(dichloromethyl)(2-phenylpropyl)silane,CC(C[SiH2]C(Cl)Cl)c1ccccc1,CC(C[SiH2]C(Cl)Cl)c1ccccc1,"InChI=1/C10H14Cl2Si/c1-8(7-13-10(11)12)9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3",C10H14Cl2Si,,,,,,UPCJXABIQVVFFF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.728,237-116-8,13629-22-6,Fluoren-9-one hydrazone,9H-fluoren-9-ylidenehydrazine,NN=C1c2ccccc2c3ccccc13,NN=C1c2ccccc2c3ccccc13,"InChI=1/C13H10N2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,14H2",C13H10N2,,,,,,YCNUILAKOMIBAL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.737,237-126-2,13637-84-8,Chlorosulphonyl fluoride,sulfuryl chloride fluoride,FS(=O)(=O)Cl,FS(=O)(=O)Cl,"InChI=1/ClFO2S/c1-5(2,3)4",ClFO2S,,,,,,IXPAAHZTOUOJJM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.744,237-134-6,13652-74-9,m-phenylenediamine hydrochloride,"benzene-1,3-diamine hydrochloride",Cl.Nc1cccc(N)c1,Cl.Nc1cccc(N)c1,"InChI=1/C6H8N2.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;1H",C6H8N2.xClH,,,,,,VEGZHURRCWERMK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.745,237-135-1,13653-23-1,"(Z)-N,N-diethyl-9-octadecenamide","N,N-diethyloctadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)N(CC)CC,CCCCCCCC\C=C/CCCCCCCC(=O)N(CC)CC,"InChI=1/C22H43NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h13-14H,4-12,15-21H2,1-3H3",C22H43NO,,,,,,ANBZTKMYPDMODS-YPKPFQOOSA-N,,,,,,,,,,,
100.033.749,237-139-3,13654-74-5,Aluminium tetrabromophthalate (3:2),aluminium tetrabromophthalate (3:2),[AlH3].[AlH3].[AlH3].[O-]C(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-].[O-]C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)[O-],[AlH3].[AlH3].[AlH3].[O-]C(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-].[O-]C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)[O-],"InChI=1/2C8H2Br4O4.3Al.9H/c2*9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;;;;;;;;;;;/h2*(H,13,14)(H,15,16);;;;;;;;;;;;/q;;3*+3;;;;;;;;;/p-4/r2C8H2Br4O4.3AlH3/c2*9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;;/h2*(H,13,14)(H,15,16);3*1H3/q;;3*+3/p-4",C8H2Br4O4.2/3Al,,,,,,GXSSJPSDGQDCLF-UHFFFAOYSA-J,,,,,,,,,,,
100.035.254,238-795-3,14732-58-2,Cobalt(2+) dibromate,cobalt(2+) dibromate,[Co+2].[O-]Br(=O)=O.[O-]Br(=O)=O,[Co+2].[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/2BrHO3.Co/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",BrHO3.1/2Co,,,,,,ICSYMFUQPFZUQZ-UHFFFAOYSA-L,,,,,,,,,,,
100.035.255,238-796-9,14735-72-9,Methyl N-(p-methoxybenzylidene)anthranilate,methyl 2-[(4-methoxybenzylidene)amino]benzoate,COc2ccc(C=Nc1ccccc1C(=O)OC)cc2,COc2ccc(C=Nc1ccccc1C(=O)OC)cc2,"InChI=1/C16H15NO3/c1-19-13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16(18)20-2/h3-11H,1-2H3",C16H15NO3,,,,,,VYSXJKIBCGUXTM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.256,238-797-4,14736-31-3,Ethyl 4-oxo-4H-1-benzopyran-2-carboxylate,ethyl 4-oxo-4H-chromene-2-carboxylate,CCOC(=O)C1=CC(=O)c2ccccc2O1,CCOC(=O)C1=CC(=O)c2ccccc2O1,"InChI=1/C12H10O4/c1-2-15-12(14)11-7-9(13)8-5-3-4-6-10(8)16-11/h3-7H,2H2,1H3",C12H10O4,,,,,,CJVFJZNWXDFXHF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.257,238-799-5,14737-80-5,"3,4,5,6-tetrachloro-N-methylphthalimide","4,5,6,7-tetrachloro-2-methyl-1H-isoindole-1,3(2H)-dione",CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,InChI=1/C9H3Cl4NO2/c1-14-8(15)2-3(9(14)16)5(11)7(13)6(12)4(2)10/h1H3,C9H3Cl4NO2,,,,,,OHCSZUQRNNNMRG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.258,238-800-9,14737-86-1,"3,4,5,6-tetrachloro-N-hexylphthalimide","2-(3,4,5,6-tetrachlorohexyl)-1H-isoindole-1,3(2H)-dione",ClCC(Cl)C(Cl)C(Cl)CCN1C(=O)c2ccccc2C1=O,ClCC(Cl)C(Cl)C(Cl)CCN1C(=O)c2ccccc2C1=O,"InChI=1/C14H13Cl4NO2/c15-7-11(17)12(18)10(16)5-6-19-13(20)8-3-1-2-4-9(8)14(19)21/h1-4,10-12H,5-7H2",C14H13Cl4NO2,,,,,,IWADQIGATRXGIS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.273,238-817-1,14756-03-7,3-(2-thienyl)acrylaldehyde,3-(2-thienyl)acrylaldehyde,O=C\\C=C\\c1cccs1,O=C\C=C\c1cccs1,InChI=1/C7H6OS/c8-5-1-3-7-4-2-6-9-7/h1-6H,C7H6OS,,,,,,IEAUKTACQUVNLS-HNQUOIGGSA-N,,,,,,,,,,,
100.042.859,247-161-5,25646-71-3,N-(2-(4-amino-N-ethyl-m-toluidino)ethyl)methanesulphonamide sesquisulphate,N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide sulfate (2:3),CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1.CCN(CCNS(=O)(=O)C)c2ccc(N)c(C)c2.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1.CCN(CCNS(=O)(=O)C)c2ccc(N)c(C)c2.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1/2C12H21N3O2S.3H2O4S/c2*1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;3*1-5(2,3)4/h2*5-6,9,14H,4,7-8,13H2,1-3H3;3*(H2,1,2,3,4)",C12H21N3O2S.3/2H2O4S,,,,,,NPDFXFLCEDDWEG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.866,247-168-3,25659-31-8,Lead diiodate,-,[Pb+2].[O-]I(=O)=O.[O-]I(=O)=O,[Pb+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/2HIO3.Pb.2H/c2*2-1(3)4;;;/h2*(H,2,3,4);;;/q;;+4;;/p-2/r2HIO3.H2Pb/c2*2-1(3)4;/h2*(H,2,3,4);1H2/q;;+4/p-2",HIO3.1/2Pb,,,,,,DRHWBADNSVQEGH-UHFFFAOYSA-L,,,,,,,,,,,
100.038.502,242-368-7,18480-23-4,Allyltriphenylphosphonium chloride,allyl(triphenyl)phosphonium chloride,[Cl-].C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H20P.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1",C21H20P.Cl,,,,,,FKMJROWWQOJRJX-UHFFFAOYSA-M,,,,,,,,,,,
100.038.503,242-369-2,18480-27-8,(2-ethoxy-1-methyl-2-oxoethyl)triphenylphosphonium chloride,(2-ethoxy-1-methyl-2-oxoethyl)(triphenyl)phosphonium chloride,[Cl-].CCOC(=O)C(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].CCOC(=O)C(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C23H24O2P.ClH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1",C23H24O2P.Cl,,,,,,LISODHVYQSLGJD-UHFFFAOYSA-M,,,,,,,,,,,
100.032.219,235-454-0,12232-94-9,"Bismuth, compound with lanthanum (1:1)",-,[La].[Bi],[La].[Bi],InChI=1/Bi.La/q2*+3,Bi.La,,,,,,RZEADQZDBXGRSM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.225,235-460-3,12236-25-8,2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile,2-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)-5-nitrobenzonitrile,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)c(C#N)c2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)c(C#N)c2,"InChI=1/C18H19N5O4/c1-13-10-15(22(6-8-24)7-9-25)2-4-17(13)20-21-18-5-3-16(23(26)27)11-14(18)12-19/h2-5,10-11,24-25H,6-9H2,1H3",C18H19N5O4,,,,,,SAEOXNIKTXFZNK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.228,235-464-5,12236-64-5,N-[4-(acetylamino)phenyl]-4-[[5-(aminocarbonyl)-2-chlorophenyl]azo]-3-hydroxynaphthalene-2-carboxamide,N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide,Clc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(NC(C)=O)cc1)c2O)C(N)=O,Clc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(NC(C)=O)cc1)c2O)C(N)=O,"InChI=1/C26H20ClN5O4/c1-14(33)29-17-7-9-18(10-8-17)30-26(36)20-12-15-4-2-3-5-19(15)23(24(20)34)32-31-22-13-16(25(28)35)6-11-21(22)27/h2-13,34H,1H3,(H2,28,35)(H,29,33)(H,30,36)",C26H20ClN5O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10624,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.228,UHZVOVCIPHZPEI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.236,235-472-9,12239-00-8,5-[[4-(aminosulphonyl)-2-nitrophenyl]amino]-2-[[4-[[4-(aminosulphonyl)-2-nitrophenyl]amino]phenyl]amino]benzenesulphonic acid,5-[(2-nitro-4-sulfamoylphenyl)amino]-2-({4-[(2-nitro-4-sulfamoylphenyl)amino]phenyl}amino)benzenesulfonic acid,NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccc(Nc4ccc(cc4[N+](=O)[O-])S(=O)(=O)N)cc3S(=O)(=O)O)cc2)c(c1)[N+](=O)[O-],NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccc(Nc4ccc(cc4[N+](=O)[O-])S(=O)(=O)N)cc3S(=O)(=O)O)cc2)c(c1)[N+](=O)[O-],"InChI=1/C24H21N7O11S3/c25-43(36,37)17-6-9-19(22(12-17)30(32)33)27-14-1-3-15(4-2-14)28-21-8-5-16(11-24(21)45(40,41)42)29-20-10-7-18(44(26,38)39)13-23(20)31(34)35/h1-13,27-29H,(H2,25,36,37)(H2,26,38,39)(H,40,41,42)",C24H21N7O11S3,,,,,,MLOVXTFKTATMKP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.238,235-475-5,12239-34-8,"2,2'-[[5-acetamide-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]imino]diethyl diacetate","({2-acetamido-3-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-ethoxyphenyl}imino)diethane-2,1-diyl diacetate",CCOc1cc(N=Nc2c(Br)cc(cc2N(=O)=O)N(=O)=O)c(NC(=O)C)c(c1)N(CCOC(=O)C)CCOC(=O)C,CCOc1cc(N=Nc2c(Br)cc(cc2N(=O)=O)N(=O)=O)c(NC(=O)C)c(c1)N(CCOC(=O)C)CCOC(=O)C,"InChI=1/C24H27BrN6O10/c1-5-39-18-12-20(27-28-23-19(25)10-17(30(35)36)11-22(23)31(37)38)24(26-14(2)32)21(13-18)29(6-8-40-15(3)33)7-9-41-16(4)34/h10-13H,5-9H2,1-4H3,(H,26,32)",C24H27BrN6O10,,,,,,CXGBNTZHEOCOEN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.249,235-487-0,12251-53-5,Aluminium sodium tetrahydroxide,aluminium sodium tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Na+].[Al+3],[OH-].[OH-].[OH-].[OH-].[Na+].[Al+3],InChI=1/Al.Na.4H2O/h;;4*1H2/q+3;+1;;;;/p-4,AlH4O4.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15081,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.249,SVEIXENKLWYGIZ-UHFFFAOYSA-J,,,,,,,,,,,
100.033.750,237-140-9,13655-52-2,Alprenolol,1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1ccccc1CC=C,CC(C)NCC(O)COc1ccccc1CC=C,"InChI=1/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3",C15H23NO2,,,,,,PAZJSJFMUHDSTF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.752,237-143-5,13657-24-4,"1-(3,3-diphenylpropyl)hexahydro-1H-azepinium chloride","1-(3,3-diphenylpropyl)azepanium chloride",[Cl-].C(C[NH+]1CCCCCC1)C(c2ccccc2)c3ccccc3,[Cl-].C(C[NH+]1CCCCCC1)C(c2ccccc2)c3ccccc3,"InChI=1/C21H27N.ClH/c1-2-10-17-22(16-9-1)18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;/h3-8,11-14,21H,1-2,9-10,15-18H2;1H",C21H27N.ClH,,,,,,FQPKTVQUKHWXFF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.501,234-665-5,12021-67-9,Cobalt hexafluorosilicate(2-),cobalt(2+) hexafluorosilicate,[Co+2].F[Si-2](F)(F)(F)(F)F,[Co+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/Co.F6Si/c;1-7(2,3,4,5)6/q+2;-2",Co.F6Si,,,,,,UGQWWKUOLIOJAF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.478,242-342-5,18457-04-0,Bis(trimethylsilyl) malonate,bis(trimethylsilyl) malonate,C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C,C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C,"InChI=1/C9H20O4Si2/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6/h7H2,1-6H3",C9H20O4Si2,,,,,,ATCKJLDGNXGLAO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.481,242-345-1,18464-39-6,Caroxazone,"2-(2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetamide",NC(=O)CN1Cc2ccccc2OC1=O,NC(=O)CN1Cc2ccccc2OC1=O,"InChI=1/C10H10N2O3/c11-9(13)6-12-5-7-3-1-2-4-8(7)15-10(12)14/h1-4H,5-6H2,(H2,11,13)",C10H10N2O3,,,,,,KYCBWEZLKCTALM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.483,242-347-2,18465-99-1,"2,3-dihydroxypropyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate","2,3-dihydroxypropyl octadeca-9,12,15-trienoate",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)OCC(O)CO,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3",C21H36O4,,,,,,GGJRAQULURVTAJ-PDBXOOCHSA-N,,,,,,,,,,,
100.038.487,242-351-4,18470-94-5,17ß-hydroxyestr-4-en-3-one 17-(cyclohexanecarboxylate),3-oxoestr-4-en-17-yl cyclohexanecarboxylate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)C5CCCCC5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)C5CCCCC5,"InChI=1/C25H36O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h15-16,19-23H,2-14H2,1H3",C25H36O3,,,,,,AQMOXBCKEKPDRF-YNFNDHOQSA-N,,,,,,,,,,,
100.038.488,242-353-5,18471-20-0,Ditazole,"2,2'-[(4,5-diphenyl-1,3-oxazol-2-yl)imino]diethanol",OCCN(CCO)c1oc(c2ccccc2)c(n1)c3ccccc3,OCCN(CCO)c1oc(c2ccccc2)c(n1)c3ccccc3,"InChI=1/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2",C19H20N2O3,,,,,,UUCMDZWCRNZCOY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.432,237-890-7,14049-51-5,Hydroxybis(octanoato-O)aluminium,aluminum hydroxide dioctanoate,CCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCC,CCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCC,"InChI=1/2C8H16O2.Al.H2O/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);;1H2/q;;+3;/p-3/rC16H31AlO5/c1-3-5-7-9-11-13-15(18)21-17(20)22-16(19)14-12-10-8-6-4-2/h20H,3-14H2,1-2H3",C16H31AlO5,,,,,,LWCFEKAQZIMOIH-UHFFFAOYSA-K,,,,,,,,,,,
100.034.433,237-891-2,14054-17-2,"(5a,6a)-7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17,17-dimethylmorphinanium iodide","17,17-dimethyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-3,6-diol iodide",[I-].C[N+]1(C)CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,[I-].C[N+]1(C)CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,"InChI=1/C18H21NO3.HI/c1-19(2)8-7-18-11-4-6-14(21)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19;/h3-6,11-12,14,17,21H,7-9H2,1-2H3;1H",C18H22NO3.I,,,,,,AJQDRZKRPDONTA-SCLAZZCHSA-N,,,,,,,,,,,
100.034.441,237-901-5,14059-45-1,Bismuth tri(perchlorate),bismuth(3+) triperchlorate,[BiH3+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[BiH3+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/Bi.3ClHO4.3H/c;3*2-1(3,4)5;;;/h;3*(H,2,3,4,5);;;/q+3;;;;;;/p-3/rBiH3.3ClHO4/c;3*2-1(3,4)5/h1H3;3*(H,2,3,4,5)/q+3;;;/p-3",Bi.3ClHO4,,,,,,PBMWHYUNOQMYBV-UHFFFAOYSA-K,,,,,,,,,,,
100.034.444,237-904-1,14062-19-2,Ethyl p-tolylacetate,ethyl (4-methylphenyl)acetate,CCOC(=O)Cc1ccc(C)cc1,CCOC(=O)Cc1ccc(C)cc1,"InChI=1/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3",C11H14O2,,,,,,BTRGZBIXPLFVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.445,237-905-7,14062-21-6,Ethyl 4-isopropylphenylacetate,ethyl (4-isopropylphenyl)acetate,CCOC(=O)Cc1ccc(cc1)C(C)C,CCOC(=O)Cc1ccc(cc1)C(C)C,"InChI=1/C13H18O2/c1-4-15-13(14)9-11-5-7-12(8-6-11)10(2)3/h5-8,10H,4,9H2,1-3H3",C13H18O2,,,,,,LFMYKNVKLMQSJV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.446,237-906-2,14062-24-9,Ethyl (4-chlorophenyl)acetate,ethyl (4-chlorophenyl)acetate,CCOC(=O)Cc1ccc(Cl)cc1,CCOC(=O)Cc1ccc(Cl)cc1,"InChI=1/C10H11ClO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3",C10H11ClO2,,,,,,UTWBWFXECVFDPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.447,237-907-8,14062-34-1,m-aminobenzohydrazide,3-aminobenzohydrazide,NNC(=O)c1cccc(N)c1,NNC(=O)c1cccc(N)c1,"InChI=1/C7H9N3O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)",C7H9N3O,,,,,,JSIVTKBYJLGBPY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.450,237-910-4,14063-83-3,4-chloro-2H-1-benzothiopyran-3-carboxaldehyde,4-chloro-2H-thiochromene-3-carbaldehyde,ClC1=C(CSc2ccccc12)C=O,ClC1=C(CSc2ccccc12)C=O,"InChI=1/C10H7ClOS/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-5H,6H2",C10H7ClOS,,,,,,DADSQEKJVIEJHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.458,237-919-3,14066-79-6,Chloroprednisone 21-acetate,"6-chloro-17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4C[C@H](Cl)\\C1=C\\C(=O)/C=C\\[C@]1(C)[C@H]4C(=O)C[C@@]23C,CC(=O)OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4C[C@H](Cl)\C1=C\C(=O)/C=C\[C@]1(C)[C@H]4C(=O)C[C@@]23C,"InChI=1/C23H27ClO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h4,6,8,14-15,17,20,29H,5,7,9-11H2,1-3H3",C23H27ClO6,,,,,,RACDDTQBAFEERP-PLTZVPCUSA-N,,,,,,,,,,,
100.034.459,237-920-9,14067-62-0,Cadmium hydrogen phosphate,cadmium hydrogen phosphate,[Cd+2].[O-]P(=O)([O-])[O-],[Cd+2].[O-]P(=O)([O-])[O-],"InChI=1/Cd.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-3",Cd.H3O4P,,,,,,VFVYXBGFJDRSDR-UHFFFAOYSA-K,,,,,,,,,,,
100.041.808,246-004-8,24069-55-4,"1-amino-4,5-dihydroxy-8-nitroanthraquinone","1-amino-4,5-dihydroxy-8-nitro-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(O)ccc(c3C(=O)c12)[N+](=O)[O-],Nc1ccc(O)c2C(=O)c3c(O)ccc(c3C(=O)c12)[N+](=O)[O-],"InChI=1/C14H8N2O6/c15-5-1-3-7(17)11-9(5)13(19)10-6(16(21)22)2-4-8(18)12(10)14(11)20/h1-4,17-18H,15H2",C14H8N2O6,,,,,,XHTBQEDDFNUDSX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.811,246-007-4,24075-57-8,"3-[[5-[3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene]-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio]propionic acid","3-{[5-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}propanoic acid",C=CCN1C(=O)C(SC1=S)=C2SC(/SCCC(O)=O)=N\\N2C,C=CCN1C(=O)C(SC1=S)=C2SC(/SCCC(O)=O)=N\N2C,"InChI=1/C12H13N3O3S4/c1-3-5-15-9(18)8(21-12(15)19)10-14(2)13-11(22-10)20-6-4-7(16)17/h3H,1,4-6H2,2H3,(H,16,17)",C12H13N3O3S4,,,,,,BWPACKUSUFELQM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.814,246-011-6,24083-03-2,1-(2-butoxypropoxy)propan-2-ol,1-(2-butoxypropoxy)propan-2-ol,CCCCOC(C)COCC(C)O,CCCCOC(C)COCC(C)O,"InChI=1/C10H22O3/c1-4-5-6-13-10(3)8-12-7-9(2)11/h9-11H,4-8H2,1-3H3",C10H22O3,,,,,,RUYKSFADZRVSQT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.437,245-597-0,23349-61-3,Bis[2-hydroxyethyl]ammonium dihydrogen citrate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium dihydrogen citrate,OCC[NH2+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],OCC[NH2+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.C4H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;6-3-1-5-2-4-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5-7H,1-4H2/p-2",C6H8O7.xC4H11NO2,,,,,,SCOUYYCCBDRYLF-UHFFFAOYSA-L,,,,,,,,,,,
100.041.442,245-602-6,23351-91-9,5-bromoisophthalic acid,5-bromoisophthalic acid,OC(=O)c1cc(Br)cc(c1)C(=O)O,OC(=O)c1cc(Br)cc(c1)C(=O)O,"InChI=1/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5BrO4,,,,,,JATKASGNRMGFSW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.443,245-603-1,23354-52-1,"Tetrasodium 5-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","tetrasodium 5-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4cccc(c4)S(=O)(=O)CCOS([O-])(=O)=O)n5,[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4cccc(c4)S(=O)(=O)CCOS([O-])(=O)=O)n5,"InChI=1/C27H22ClN7O16S5.4Na/c28-25-31-26(29-15-4-3-5-16(12-15)52(37,38)9-8-51-56(48,49)50)33-27(32-25)30-19-13-17(53(39,40)41)10-14-11-21(55(45,46)47)23(24(36)22(14)19)35-34-18-6-1-2-7-20(18)54(42,43)44;;;;/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;;/q;4*+1/p-4",C27H22ClN7O16S5.4Na,,,,,,VEJNUEOLNOYTLZ-UHFFFAOYSA-J,,,,,,,,,,,
100.041.445,245-605-2,23356-96-9,L-(pyrrolidin-1-yl)methanol,pyrrolidin-1-ylmethanol,OCN1CCCC1,OCN1CCCC1,"InChI=1/C5H11NO/c7-5-6-3-1-2-4-6/h7H,1-5H2",C5H11NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18329,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.445,GUFUWKKDHIABBW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.446,245-606-8,23358-42-1,Ethyl DL-valinate hydrochloride,ethyl L-valinate hydrochloride,Cl.CCOC(=O)[C@@H](N)C(C)C,Cl.CCOC(=O)[C@@H](N)C(C)C,"InChI=1/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H",C7H15NO2.ClH,,,,,,PQGVTLQEKCJXKF-RGMNGODLSA-N,,,,,,,,,,,
100.041.463,245-625-1,23383-11-1,"Citric acid, iron(2+) salt",iron(2+) 2-(carboxymethyl)-2-hydroxysuccinate,[Fe+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],[Fe+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2",C6H8O7.xFe,,,,,,APVZWAOKZPNDNR-UHFFFAOYSA-L,,,,,,,,,,,
100.041.464,245-626-7,23383-59-7,"a,a-dimethylbenzyl peroxypivalate","1-methyl-1-phenylethyl 2,2-dimethylpropaneperoxoate",CC(C)(C)C(=O)OOC(C)(C)c1ccccc1,CC(C)(C)C(=O)OOC(C)(C)c1ccccc1,"InChI=1/C14H20O3/c1-13(2,3)12(15)16-17-14(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3",C14H20O3,,,,,,MHJFWPOZAIOCQL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.472,245-635-6,23405-31-4,"Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylate","ethyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate",CCOC(=O)c1ccc2C(=O)OCc2c1,CCOC(=O)c1ccc2C(=O)OCc2c1,"InChI=1/C11H10O4/c1-2-14-10(12)7-3-4-9-8(5-7)6-15-11(9)13/h3-5H,2,6H2,1H3",C11H10O4,,,,,,RAQLQVDNIKWBRL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.473,245-636-1,23405-68-7,3-ethyl-5-[(1-ethylpyrrolidin-2-ylidene)ethylidene]-2-thioxothiazolidin-4-one,"3-ethyl-5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",O=C2C(=CC=C1CCCN1CC)SC(=S)N2CC,O=C2C(=CC=C1CCCN1CC)SC(=S)N2CC,"InChI=1/C13H18N2OS2/c1-3-14-9-5-6-10(14)7-8-11-12(16)15(4-2)13(17)18-11/h7-8H,3-6,9H2,1-2H3",C13H18N2OS2,,,,,,KKACEFKPAJPBRW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.277,238-821-3,14762-38-0,N-(2-nitro-1-phenylpropyl)ethylenediamine,"N-(2-nitro-1-phenylpropyl)ethane-1,2-diamine",CC(C(NCCN)c1ccccc1)[N+](=O)[O-],CC(C(NCCN)c1ccccc1)[N+](=O)[O-],"InChI=1/C11H17N3O2/c1-9(14(15)16)11(13-8-7-12)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8,12H2,1H3",C11H17N3O2,,,,,,KHUHJMXIOOBDQH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.282,238-827-6,14764-02-4,"1,1'-(piperazine-1,4-diyldimethylene)diimidazolidine-2-thione","1,1'-[piperazine-1,4-diylbis(methylene)]diimidazolidine-2-thione",S=C1NCCN1CN2CCN(CN3CCNC3=S)CC2,S=C1NCCN1CN2CCN(CN3CCNC3=S)CC2,"InChI=1/C12H22N6S2/c19-11-13-1-3-17(11)9-15-5-7-16(8-6-15)10-18-4-2-14-12(18)20/h1-10H2,(H,13,19)(H,14,20)",C12H22N6S2,,,,,,TZPIFQGYUOKWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.289,238-834-4,14768-15-1,"Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium","gadolinium tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)",CC(C)(C)C(=O)C=C(O[Gd](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C,CC(C)(C)C(=O)C=C(O[Gd](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C,"InChI=1/3C11H20O2.Gd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3",C33H57GdO6,,,,,,DPHFYRREQBVMBY-UHFFFAOYSA-K,,,,,,,,,,,
100.035.292,238-838-6,14770-86-6,N-(5-phenyl-2-thienyl)acetamide,N-(5-phenyl-2-thienyl)acetamide,CC(=O)Nc1ccc(s1)c2ccccc2,CC(=O)Nc1ccc(s1)c2ccccc2,"InChI=1/C12H11NOS/c1-9(14)13-12-8-7-11(15-12)10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)",C12H11NOS,,,,,,OSKPBKKQLNRUFG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.297,238-843-3,14777-27-6,Methyl acetimidate hydrochloride,methyl ethanimidoate hydrochloride,Cl.COC(=N)C,Cl.COC(=N)C,"InChI=1/C3H7NO.ClH/c1-3(4)5-2;/h4H,1-2H3;1H",C3H7NO.ClH,,,,,,WHYJXXISOUGFLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.308,238-855-9,14794-31-1,Ethyl 3-(chloroformyl)propionate,ethyl 4-chloro-4-oxobutanoate,CCOC(=O)CCC(=O)Cl,CCOC(=O)CCC(=O)Cl,"InChI=1/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3",C6H9ClO3,,,,,,IXZFDJXHLQQSGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.313,238-861-1,14796-97-5,Strontium diicosanoate,strontium diicosanoate,[Sr+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C20H40O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2",C20H40O2.1/2Sr,,,,,,ZTSSNRGVRVQJLC-UHFFFAOYSA-L,,,,,,,,,,,
100.032.273,235-514-6,12262-03-2,Isopentyl undecenoate,3-methylbutyl undec-2-enoate,CC(C)CCOC(=O)C=CCCCCCCCC,CC(C)CCOC(=O)C=CCCCCCCCC,"InChI=1/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h11-12,15H,4-10,13-14H2,1-3H3",C16H30O2,,,,,,ZERSJCQRRUAYJS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.291,235-534-5,12264-18-5,Calcium dihydrogen ethylenediaminetetraacetate,"calcium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.Ca/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-4",C10H12CaN2O8.2H,,,,,,NVTRPRFAWJGJAJ-UHFFFAOYSA-J,,,,,,,,,,,
100.032.300,235-543-4,12268-84-7,Lead hydroxide nitrate,-,[Pb+2].[OH-].[O-][N+]([O-])=O,[Pb+2].[OH-].[O-][N+]([O-])=O,InChI=1/NO3.H2O.Pb.2H/c2-1(3)4;;;;/h;1H2;;;/q-1;;+4;;/p-1/rNO3.H2O.H2Pb/c2-1(3)4;;/h;2*1H2/q-1;;+4/p-1,HNO4Pb,,,,,,UITIGCZPKSMPAB-UHFFFAOYSA-M,,,,,,,,,,,
100.036.842,240-543-2,16486-74-1,N-tert-butylbutylamine,N-tert-butylbutan-1-amine,CCCCNC(C)(C)C,CCCCNC(C)(C)C,"InChI=1/C8H19N/c1-5-6-7-9-8(2,3)4/h9H,5-7H2,1-4H3",C8H19N,,,,,,VACPZDQXUAOTFR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.843,240-544-8,16486-94-5,Octadecafluoro-9-(trifluoromethyl)decanoic acid,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-octadecafluoro-9-(trifluoromethyl)decanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C11HF21O2/c12-2(13,1(33)34)4(15,16)6(19,20)8(23,24)9(25,26)7(21,22)5(17,18)3(14,10(27,28)29)11(30,31)32/h(H,33,34)",C11HF21O2,,,,,,FTUYMACVNWCLNM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.844,240-545-3,16486-96-7,Docosafluoro-11-(trifluoromethyl)dodecanoic acid,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C13HF25O2/c14-2(15,1(39)40)4(17,18)6(21,22)8(25,26)10(29,30)11(31,32)9(27,28)7(23,24)5(19,20)3(16,12(33,34)35)13(36,37)38/h(H,39,40)",C13HF25O2,,,,,,CQXLVCXAWBBSDD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.848,240-550-0,16491-15-9,"1,5-dimethylcyclopentene","1,5-dimethylcyclopentene",CC1CCC=C1C,CC1CCC=C1C,"InChI=1/C7H12/c1-6-4-3-5-7(6)2/h4,7H,3,5H2,1-2H3",C7H12,,,,,,RIICRLQIUAAOOE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.853,240-555-8,16491-54-6,1-pentylallyl butyrate,1-vinylhexyl butyrate,CCCCCC(OC(=O)CCC)C=C,CCCCCC(OC(=O)CCC)C=C,"InChI=1/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3",C12H22O2,,,,,,LZWFXVJBIZIHCH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.857,240-560-5,16493-80-4,4-ethyloctanoic acid,4-ethyloctanoic acid,CCCCC(CC)CCC(=O)O,CCCCC(CC)CCC(=O)O,"InChI=1/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",C10H20O2,,,,,,PWKJMPFEQOHBAC-UHFFFAOYSA-N,,,,,,,,,,,
100.031.509,234-673-9,12023-04-0,"Iron, compound with titanium (1:1)",iron - titanium (1:1),[Fe].[Ti],[Fe].[Ti],InChI=1/Fe.Ti/q2*+2,Fe.Ti,,,,,,IXQWNVPHFNLUGD-UHFFFAOYSA-N,,,,,,,,,,,
100.031.511,234-676-5,12023-22-2,"Iron, compound with niobium (2:1)",iron - niobium (2:1),[Fe].[Fe].[Nb],[Fe].[Fe].[Nb],InChI=1/2Fe.Nb/q3*+2,Fe.Nb,,,,,,ZFGFKQDDQUAJQP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.525,234-691-7,12024-21-4,Digallium trioxide,-,O=[Ga]O[Ga]=O,O=[Ga]O[Ga]=O,InChI=1/2Ga.3O/rGa2O3/c3-1-5-2-4,Ga2O3,,,,,,QZQVBEXLDFYHSR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.531,234-698-5,12024-80-5,"Antimony, compound with gadolinium (1:1)",-,[Sb].[Gd],[Sb].[Gd],InChI=1/Gd.Sb/q2*+3,Gd.Sb,,,,,,IYUFCXCHSDHHAR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.548,234-717-7,12027-06-4,Ammonium iodide,ammonium iodide,[NH4+].[I-],[NH4+].[I-],InChI=1/HI.H3N/h1H;1H3,H4IN,,,,,,UKFWSNCTAHXBQN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.196,238-731-4,14690-01-8,"1,3-bis(hexadecyloxy)propan-2-ol","1,3-bis(hexadecyloxy)propan-2-ol",CCCCCCCCCCCCCCCCOCC(O)COCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOCC(O)COCCCCCCCCCCCCCCCC,"InChI=1/C35H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33-35(36)34-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3",C35H72O3,,,,,,CSTYETQXRJUWCP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.206,238-742-4,14693-81-3,Tantalum pentaiodide,-,[I-].[I-].[I-].[I-].[I-].[Ta+2],[I-].[I-].[I-].[I-].[I-].[Ta+2],InChI=1/5HI.Ta/h5*1H;/q;;;;;+2/p-5,I5Ta,,,,,,YHCGWDVQUDFYBB-UHFFFAOYSA-I,,,,,,,,,,,
100.035.214,238-751-3,14706-41-3,N-(phenylsulphonyl)-p-toluenesulphonamide,4-methyl-N-(phenylsulfonyl)benzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c2ccccc2,Cc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c2ccccc2,"InChI=1/C13H13NO4S2/c1-11-7-9-13(10-8-11)20(17,18)14-19(15,16)12-5-3-2-4-6-12/h2-10,14H,1H3",C13H13NO4S2,,,,,,MBPSWVGSUGQOSI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.224,238-762-3,14720-53-7,Lead metaborate,lead metaborate,[Pb+2].[O-]B=O.[O-]B=O,[Pb+2].[O-]B=O.[O-]B=O,InChI=1/2BO2.Pb.2H/c2*2-1-3;;;/q2*-1;+4;;/r2BO2.H2Pb/c2*2-1-3;/h;;1H2/q2*-1;+4,BHO2.1/2Pb,,,,,,ZPPSOOVFTBGHBI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.229,238-768-6,14722-38-4,4-methylcinnoline,4-methylcinnoline,Cc1cnnc2ccccc12,Cc1cnnc2ccccc12,"InChI=1/C9H8N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-6H,1H3",C9H8N2,,,,,,KREYIEXCOLYLAV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.232,238-771-2,14723-98-9,Ytterbium triiodate,-,[Yb+2].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Yb+2].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.Yb.2H/c3*2-1(3)4;;;/h3*(H,2,3,4);;;/q;;;+2;;/p-3/r3HIO3.H2Yb/c3*2-1(3)4;/h3*(H,2,3,4);1H2/q;;;+2/p-3",HIO3.1/3Yb,,,,,,IKOWMLKFOJYLAX-UHFFFAOYSA-K,,,,,,,,,,,
100.035.235,238-774-9,14725-35-0,"2-(methylthio)-4,5-diphenyloxazole","2-(methylsulfanyl)-4,5-diphenyl-1,3-oxazole",CSc1oc(c2ccccc2)c(n1)c3ccccc3,CSc1oc(c2ccccc2)c(n1)c3ccccc3,"InChI=1/C16H13NOS/c1-19-16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h2-11H,1H3",C16H13NOS,,,,,,PFUQBWRZKDFUHL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.239,238-779-6,14726-58-0,"2,5-dibutoxy-4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1)","bis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium) tetrachlorozincate(2-)",CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc3cc(N4CCOCC4)c(OCCCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc3cc(N4CCOCC4)c(OCCCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C18H28N3O3.4ClH.Zn/c2*1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;;;;;/h2*13-14H,3-12H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H28N3O3.Cl4Zn/c2*1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;1-5(2,3)4/h2*13-14H,3-12H2,1-2H3;/q2*+1;-2",C18H28N3O3.1/2Cl4Zn,,,,,,GRTBPMSUKXZPFP-UHFFFAOYSA-J,,,,,,,,,,,
100.038.508,242-375-5,18491-15-1,"3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate","3-hydroxy-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate",CC(C)C(OC(=O)C(C)C)C(C)(C)CO,CC(C)C(OC(=O)C(C)C)C(C)(C)CO,"InChI=1/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3",C12H24O3,,,,,,OMIPYZUJVKWOLI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.513,242-380-2,18495-77-7,"1-bromo-1,2,2-triphenylethane","1,1',1''-(2-bromoethane-1,1,2-triyl)tribenzene",BrC(C(c1ccccc1)c2ccccc2)c3ccccc3,BrC(C(c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C20H17Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H",C20H17Br,,,,,,PXVGWCYECQPJFN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.514,242-381-8,18495-82-4,4-(3-phenylpropyl)piperidine,4-(3-phenylpropyl)piperidine,C(CC1CCNCC1)Cc2ccccc2,C(CC1CCNCC1)Cc2ccccc2,"InChI=1/C14H21N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,14-15H,4,7-12H2",C14H21N,,,,,,HASRFXGIJALRRB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.520,242-388-6,18504-81-9,"1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one","1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one",O=C1CSc2ncccc2N1,O=C1CSc2ncccc2N1,"InChI=1/C7H6N2OS/c10-6-4-11-7-5(9-6)2-1-3-8-7/h1-3H,4H2,(H,9,10)",C7H6N2OS,,,,,,BOASKSPVGGTZKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.460,237-921-4,14068-53-2,"2-amino-5-ethyl-1,3,4-thiadiazole","5-ethyl-1,3,4-thiadiazol-2-amine",CCc1nnc(N)s1,CCc1nnc(N)s1,"InChI=1/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)",C4H7N3S,,,,,,QXTRPGAMVIONMK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.461,237-923-5,14068-64-5,"Tetrahydro-4-hydroxy-6-isopropyl-5,5-dimethyl-1H-pyrimidin-2-one","4-hydroxy-6-isopropyl-5,5-dimethyltetrahydropyrimidin-2(1H)-one",CC(C)C1NC(=O)NC(O)C1(C)C,CC(C)C1NC(=O)NC(O)C1(C)C,"InChI=1/C9H18N2O2/c1-5(2)6-9(3,4)7(12)11-8(13)10-6/h5-7,12H,1-4H3,(H2,10,11,13)",C9H18N2O2,,,,,,ZRAXXNFGAHLING-UHFFFAOYSA-N,,,,,,,,,,,
100.038.071,241-894-4,17976-43-1,Cyclo-di-µ-oxo(µ-phthalato)trilead,-,O=C1O[Pb]O[Pb]O[Pb]OC(=O)c2ccccc12,O=C1O[Pb]O[Pb]O[Pb]OC(=O)c2ccccc12,"InChI=1/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;;;+2;2*+3/p-2/rC8H4O6Pb3/c9-7-5-3-1-2-4-6(5)8(10)12-16-14-17-13-15-11-7/h1-4H/q+6",C8H4O6Pb3,,,,,,NKQZGKXBBHMXPR-UHFFFAOYSA-L,,,,,,,,,,,
100.038.072,241-896-5,17976-80-6,7-hydroxyheptane-1-nitrile,7-hydroxyheptanenitrile,OCCCCCCC#N,OCCCCCCC#N,"InChI=1/C7H13NO/c8-6-4-2-1-3-5-7-9/h9H,1-5,7H2",C7H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10011,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.072,XAZAHJGDOHGFBV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.073,241-897-0,17977-09-2,"2,2-dinitropropyl acrylate","2,2-dinitropropyl acrylate",CC(COC(=O)C=C)([N+](=O)[O-])[N+](=O)[O-],CC(COC(=O)C=C)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H8N2O6/c1-3-5(9)14-4-6(2,7(10)11)8(12)13/h3H,1,4H2,2H3",C6H8N2O6,,,,,,BGPPMVLBKMPVQR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.080,241-904-7,17980-28-8,2-methyl-3-(triethoxysilyl)propanethiol,2-methyl-3-(triethoxysilyl)propane-1-thiol,CCO[Si](CC(C)CS)(OCC)OCC,CCO[Si](CC(C)CS)(OCC)OCC,"InChI=1/C10H24O3SSi/c1-5-11-15(12-6-2,13-7-3)9-10(4)8-14/h10,14H,5-9H2,1-4H3",C10H24O3SSi,,,,,,IPJLELCCCCILNT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.085,241-909-4,17994-15-9,"2,3,4,13-tetrahydro-1H-benz[g]indole[2,3-a]quinolizin-6-ium nitrate",-,ON(O)O.C1CCc2c[n+]3ccc4c5ccccc5[nH]c4c3cc2C1,ON(O)O.C1CCc2c[n+]3ccc4c5ccccc5[nH]c4c3cc2C1,"InChI=1/C19H16N2.H3NO3/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1;2-1(3)4/h3-4,7-12H,1-2,5-6H2;2-4H/p+1",C19H17N2.NO3,,,,,,LBDSOKSTUHJUPV-UHFFFAOYSA-O,,,,,,,,,,,
100.038.087,241-912-0,17998-91-3,Diacetoxymethylphenylsilane,(phenylsilyl)methylene diacetate,CC(=O)OC(OC(=O)C)[SiH2]c1ccccc1,CC(=O)OC(OC(=O)C)[SiH2]c1ccccc1,"InChI=1/C11H14O4Si/c1-8(12)14-11(15-9(2)13)16-10-6-4-3-5-7-10/h3-7,11H,16H2,1-2H3",C11H14O4Si,,,,,,ZJLDUKQGIPJTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.089,241-914-1,18000-76-5,3ß-(methoxymethoxy)androst-5-en-17-one,3-(methoxymethoxy)androst-5-en-17-one,COCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1,COCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1,"InChI=1/C21H32O3/c1-20-10-8-15(24-13-23-3)12-14(20)4-5-16-17-6-7-19(22)21(17,2)11-9-18(16)20/h4,15-18H,5-13H2,1-3H3",C21H32O3,,,,,,JQWNLAOFJMUGBT-ZKHIMWLXSA-N,,,,,,,,,,,
100.038.094,241-919-9,18014-00-1,"Dimethyl 2,5-dibromoterephthalate","dimethyl 2,5-dibromoterephthalate",COC(=O)c1cc(Br)c(cc1Br)C(=O)OC,COC(=O)c1cc(Br)c(cc1Br)C(=O)OC,"InChI=1/C10H8Br2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3",C10H8Br2O4,,,,,,QXAFZEQRMJNPLY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.095,241-920-4,18014-08-9,"5-methoxy-2-(3-methoxypropyl)-11-nitro-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione","5-methoxy-2-(3-methoxypropyl)-11-nitro-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione",COCCCN1C(=O)c2cc(OC)c3Sc4ccccc4c5c(cc(C1=O)c2c35)[N+](=O)[O-],COCCCN1C(=O)c2cc(OC)c3Sc4ccccc4c5c(cc(C1=O)c2c35)[N+](=O)[O-],"InChI=1/C23H18N2O6S/c1-30-9-5-8-24-22(26)13-10-15(25(28)29)19-12-6-3-4-7-17(12)32-21-16(31-2)11-14(23(24)27)18(13)20(19)21/h3-4,6-7,10-11H,5,8-9H2,1-2H3",C23H18N2O6S,,,,,,YSDPVJADGZAOBX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.096,241-922-5,18015-76-4,"Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, ethanedioate","bis[N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium] oxalate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccccc6.[O-]C(=O)C(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccccc6.[O-]C(=O)C(=O)[O-],"InChI=1/2C23H25N2.C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3-1(4)2(5)6/h2*5-17H,1-4H3;(H,3,4)(H,5,6)/q2*+1;/p-2",-,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16995,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.096,UJBITOVVNAWLNY-UHFFFAOYSA-L,,,,,,,,,,,
100.038.099,241-925-1,18016-80-3,Lisuride,"1,1-diethyl-3-(6-methyl-9,10-didehydroergolin-8-yl)urea",CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,"InChI=1/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)",C20H26N4O,,,,,,BKRGVLQUQGGVSM-KBXCAEBGSA-N,,,,,,,,,,,
100.041.475,245-638-2,23408-72-2,2-[[4-(dimethylamino)phenyl]azo]-3-ethyl-6-methoxybenzothiazolium trichlorozincate,"2-{[4-(dimethylamino)phenyl]diazenyl}-3-ethyl-6-methoxy-1,3-benzothiazol-3-ium trichlorozincate(1-)",Cl[Zn-](Cl)Cl.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CC)OC,Cl[Zn-](Cl)Cl.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CC)OC,"InChI=1/C18H21N4OS.3ClH.Zn/c1-5-22-16-11-10-15(23-4)12-17(16)24-18(22)20-19-13-6-8-14(9-7-13)21(2)3;;;;/h6-12H,5H2,1-4H3;3*1H;/q+1;;;;+2/p-3/rC18H21N4OS.Cl3Zn/c1-5-22-16-11-10-15(23-4)12-17(16)24-18(22)20-19-13-6-8-14(9-7-13)21(2)3;1-4(2)3/h6-12H,5H2,1-4H3;/q+1;-1",C18H21N4OS.Cl3Zn,,,,,,WXFOZZFNFPNBAQ-UHFFFAOYSA-K,,,,,,,,,,,
100.041.476,245-639-8,23408-95-9,"Bis(dibutyldithiocarbamato-S,S')iron",iron(2+) bis(dibutyldithiocarbamate),CCCCN(CCCC)C(=S)S[Fe]SC(=S)N(CCCC)CCCC,CCCCN(CCCC)C(=S)S[Fe]SC(=S)N(CCCC)CCCC,"InChI=1/2C9H19NS2.Fe/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2/rC18H36FeN2S4/c1-5-9-13-20(14-10-6-2)17(22)24-19-25-18(23)21(15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C18H36FeN2S4,,,,,,QVMOWRWQZWIPNY-UHFFFAOYSA-L,,,,,,,,,,,
100.034.470,237-932-4,14087-09-3,"2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl acetate","2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl acetate",CC(=O)OCCC1CCC2CC1C2(C)C,CC(=O)OCCC1CCC2CC1C2(C)C,"InChI=1/C13H22O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h10-12H,4-8H2,1-3H3",C13H22O2,,,,,,UZGHWQCIIVCZLR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.472,237-935-0,14088-98-3,1-(3-chlorophenyl)imidazolidin-2-one,1-(3-chlorophenyl)imidazolidin-2-one,Clc1cccc(c1)N2CCNC2=O,Clc1cccc(c1)N2CCNC2=O,"InChI=1/C9H9ClN2O/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-3,6H,4-5H2,(H,11,13)",C9H9ClN2O,,,,,,XQRTVHGPSVYJAS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.476,237-939-2,14091-11-3,2-chloro-3-phenyl-DL-alanine,2-chlorophenylalanine,Clc1ccccc1CC(N)C(O)=O,Clc1ccccc1CC(N)C(O)=O,"InChI=1/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10ClNO2,,,,,,CVZZNRXMDCOHBG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.478,237-941-3,14091-15-7,p-bromo-DL-phenylalanine,4-bromophenylalanine,N[C@@H](Cc1ccc(Br)cc1)C(=O)O,N[C@@H](Cc1ccc(Br)cc1)C(=O)O,"InChI=1/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",C9H10BrNO2,,,,,,PEMUHKUIQHFMTH-QMMMGPOBSA-N,,,,,,,,,,,
100.034.497,237-962-8,14107-97-2,"2,4,6-trimethoxytoluene","1,3,5-trimethoxy-2-methylbenzene",COc1cc(OC)c(C)c(OC)c1,COc1cc(OC)c(C)c(OC)c1,"InChI=1/C10H14O3/c1-7-9(12-3)5-8(11-2)6-10(7)13-4/h5-6H,1-4H3",C10H14O3,,,,,,TZPKFPYZCMHDHL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.499,237-964-9,14110-64-6,"7(S)-hydroxy-16(R)-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13(E),21(E)-triene-1,20,23-trione","16-benzyl-13-hydroxy-9,15-dimethyl-14-methylene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione",CC1CCCC(=O)C=CC(=O)OC23C(C=CC1)C(O)C(=C)C(C)C2C(Cc4ccccc4)NC3=O,CC1CCCC(=O)C=CC(=O)OC23C(C=CC1)C(O)C(=C)C(C)C2C(Cc4ccccc4)NC3=O,"InChI=1/C29H35NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)",C29H35NO5,,,,,,ZMAODHOXRBLOQO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.004,239-621-9,15571-51-4,Calcium propan-2-olate,calcium dipropan-2-olate,[Ca+2].CC(C)[O-].CC(C)[O-],[Ca+2].CC(C)[O-].CC(C)[O-],"InChI=1/2C3H7O.Ca/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2",C3H8O.1/2Ca,,,,,,MMLSWLZTJDJYJH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.010,239-628-7,15572-30-2,6-bromo-2-naphthyl ß-D-galactopyranoside,6-bromo-2-naphthyl beta-D-galactopyranoside,OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2",C16H17BrO6,,,,,,NLRXQZJJCPRATR-LYYZXLFJSA-N,,,,,,,,,,,
100.036.011,239-629-2,15572-56-2,Isopropylammonium chloride,propan-2-aminium chloride,[Cl-].CC(C)[NH3+],[Cl-].CC(C)[NH3+],"InChI=1/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H",C3H9N.ClH,,,,,,ISYORFGKSZLPNW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.014,239-632-9,15574-96-6,Pizotifen,"4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine",CN1CCC(=C2c3ccccc3CCc4sccc24)CC1,CN1CCC(=C2c3ccccc3CCc4sccc24)CC1,"InChI=1/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3",C19H21NS,,,,,,FIADGNVRKBPQEU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.016,239-635-5,15578-26-4,Ditin pyrophosphate,ditin pyrophosphate,[Sn+4].[Sn+4].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Sn+4].[Sn+4].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/2H4O7P2.2Sn/c2*1-8(2,3)7-9(4,5)6;;/h2*(H2,1,2,3)(H2,4,5,6);;/q;;2*+4/p-8",H4O7P2.2Sn,,,,,,HKSAPQKODWTHPX-UHFFFAOYSA-F,,,,,,,,,,,
100.038.115,241-942-4,18028-96-1,Dichloroisobutylmethylsilane,dichloro(isobutyl)methylsilane,CC(C)C[Si](C)(Cl)Cl,CC(C)C[Si](C)(Cl)Cl,"InChI=1/C5H12Cl2Si/c1-5(2)4-8(3,6)7/h5H,4H2,1-3H3",C5H12Cl2Si,,,,,,LYAOQSKLBKFKFA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.119,241-947-1,18038-98-7,"6,7-dichloro-1,4-bis(2,4,6-trimethylanilino)anthraquinone","6,7-dichloro-1,4-bis(mesitylamino)-9,10-anthraquinone",Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c4C(=O)c5cc(Cl)c(Cl)cc5C(=O)c24)c(C)c1,Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c4C(=O)c5cc(Cl)c(Cl)cc5C(=O)c24)c(C)c1,"InChI=1/C32H28Cl2N2O2/c1-15-9-17(3)29(18(4)10-15)35-25-7-8-26(36-30-19(5)11-16(2)12-20(30)6)28-27(25)31(37)21-13-23(33)24(34)14-22(21)32(28)38/h7-14,35-36H,1-6H3",C32H28Cl2N2O2,,,,,,CJKCVIQDKUVJTL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.860,240-563-1,16496-38-1,"Dimethyl tetrahydro-5-oxofuran-2,3-dicarboxylate","dimethyl 5-oxotetrahydrofuran-2,3-dicarboxylate (non-preferred name)",COC(=O)C1CC(=O)OC1C(=O)OC,COC(=O)C1CC(=O)OC1C(=O)OC,"InChI=1/C8H10O6/c1-12-7(10)4-3-5(9)14-6(4)8(11)13-2/h4,6H,3H2,1-2H3",C8H10O6,,,,,,ZTQAVXKHIVFJHN-UHFFFAOYSA-N,,,,,,,,,,,
100.031.890,235-092-3,12068-16-5,Zinc dodecylbenzenesulphonate,zinc bis(2-dodecylbenzenesulfonate),[Zn+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Zn+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C18H30O3S.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2",C18H30O3S.1/2Zn,,,,,,NMOHFBPSMIYLGY-UHFFFAOYSA-L,,,,,,,,,,,
100.045.178,249-712-5,29593-61-1,"Stearic acid, monoester with glycerol monopalmitate",3-hydroxy-2-(palmitoyloxy)propyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3",C37H72O5,,,,,,VYQDALBEQRZDPL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.182,249-716-7,29595-61-7,Trichloronitrobenzene,"1,2,3-trichloro-4-nitrobenzene",[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,InChI=1/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,C6H2Cl3NO2,,,,,,BGKIECJVXXHLDP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.201,249-737-1,29636-27-9,2-amino-5-(methylsulphamoyl)benzoic acid,2-amino-5-(methylsulfamoyl)benzoic acid,CNS(=O)(=O)c1ccc(N)c(c1)C(=O)O,CNS(=O)(=O)c1ccc(N)c(c1)C(=O)O,"InChI=1/C8H10N2O4S/c1-10-15(13,14)5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,9H2,1H3,(H,11,12)",C8H10N2O4S,,,,,,QXUKFVKOZBAWHO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.202,249-738-7,29636-46-2,"[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium nitrate","N-(4-{(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium nitrate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl.[O-][N+](=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl.[O-][N+](=O)[O-],"InChI=1/C23H24ClN2.NO3/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;2-1(3)4/h5-16H,1-4H3;/q+1;-1",C23H24ClN2.NO3,,,,,,JCVMPRWRSFAMIT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.206,249-742-9,29637-14-7,2-[(1-ethyl-2(1H)-quinolylidene)methyl]-1-(4-sulphonatobutyl)quinolinium,4-{2-[(1-ethylquinolin-2(1H)-ylidene)methyl]quinolinium-1-yl}butane-1-sulfonate,[O-]S(=O)(=O)CCCC[n+]3c4ccccc4ccc3C=C2\\C=C/c1ccccc1N2CC,[O-]S(=O)(=O)CCCC[n+]3c4ccccc4ccc3C=C2\C=C/c1ccccc1N2CC,"InChI=1/C25H26N2O3S/c1-2-26-22(15-13-20-9-3-5-11-24(20)26)19-23-16-14-21-10-4-6-12-25(21)27(23)17-7-8-18-31(28,29)30/h3-6,9-16,19H,2,7-8,17-18H2,1H3",C25H26N2O3S,,,,,,KJPXJAFAOHLARG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.209,249-746-0,29637-29-4,"4-[4-[4-(3-ethyl-benzoxazol-2(3H)-ylidene)buten-2-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)-1-methylprop-2-en-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N2/N=C(/C)C(C2=O)=C(C)/C=C=C4/Oc3ccccc3N4CC,OS(=O)(=O)c1ccc(cc1)N2/N=C(/C)C(C2=O)=C(C)/C=C=C4/Oc3ccccc3N4CC,"InChI=1/C23H21N3O5S/c1-4-25-19-7-5-6-8-20(19)31-21(25)14-9-15(2)22-16(3)24-26(23(22)27)17-10-12-18(13-11-17)32(28,29)30/h5-13H,4H2,1-3H3,(H,28,29,30)",C23H21N3O5S,,,,,,DFFBFRYOVXHQLN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.210,249-747-6,29637-52-3,"Tetrasodium 4,4'-bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred name)",[Na+].[Na+].[Na+].[Na+].NC(=O)CCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CCO)CCC(=O)N)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].NC(=O)CCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CCO)CCC(=O)N)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C42H46N14O16S4.4Na/c43-35(59)15-17-55(19-21-57)41-51-37(45-27-7-11-31(12-8-27)73(61,62)63)49-39(53-41)47-29-5-3-25(33(23-29)75(67,68)69)1-2-26-4-6-30(24-34(26)76(70,71)72)48-40-50-38(46-28-9-13-32(14-10-28)74(64,65)66)52-42(54-40)56(20-22-58)18-16-36(44)60;;;;/h1-14,23-24,57-58H,15-22H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4",C42H46N14O16S4.4Na,,,,,,BHMCWKHQTHVFST-MBCFVHIPSA-J,,,,,,,,,,,
100.035.320,238-869-5,14804-01-4,"3,3'-dithiobis(1H-1,2,4-triazole)","3,3'-disulfanediylbis(1H-1,2,4-triazole)",S(Sc1nc[nH]n1)c2nc[nH]n2,S(Sc1nc[nH]n1)c2nc[nH]n2,"InChI=1/C4H4N6S2/c1-5-3(9-7-1)11-12-4-6-2-8-10-4/h1-2H,(H,5,7,9)(H,6,8,10)",C4H4N6S2,,,,,,QDQRBNVXOJWPIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.324,238-873-7,14806-50-9,"3-ethyl-2-[5-(3-ethyl-3H-benzoxazol-2-ylidene)penta-1,3-dienyl]benzoxazolium iodide","3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4ccccc4oc3C=CC=CC=C2Oc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4oc3C=CC=CC=C2Oc1ccccc1N2CC,"InChI=1/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2O2.I,,,,,,CLDZYSUDOQXJOU-UHFFFAOYSA-M,,,,,,,,,,,
100.038.521,242-389-1,18507-89-6,Ethyl 6-decyloxy-7-ethoxy-4-hydroxy-3-quinolinate,ethyl 6-(decyloxy)-7-ethoxy-4-hydroxyquinoline-3-carboxylate,CCCCCCCCCCOc1cc2c(O)c(cnc2cc1OCC)C(=O)OCC,CCCCCCCCCCOc1cc2c(O)c(cnc2cc1OCC)C(=O)OCC,"InChI=1/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)",C24H35NO5,,,,,,JHAYEQICABJSTP-UHFFFAOYSA-N,Positive,AU108701|AU108702|AU108703|AU108704|AU108705,[M+H]+,CID10|CID20|CID30|CID40|CID50,418.2593:419.2634:420.2673|418.2594:390.228:419.2623|390.228:372.2172:391.2312|390.2284:250.0711:372.2176|222.0393:204.0287:250.0708,Athens_Univ,,,,,
100.038.528,242-397-5,18524-46-4,4-[(2-hydroxy-1-naphthyl)azo]-m-toluenesulphonic acid,2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonic acid,OS(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O,OS(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C17H14N2O4S/c1-11-6-8-14(16(10-11)24(21,22)23)18-19-17-13-5-3-2-4-12(13)7-9-15(17)20/h2-10,20H,1H3,(H,21,22,23)",C17H14N2O4S,,,,,,XAWKEKKJKHHMHE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.531,242-401-5,18525-99-0,"4,4'-thiobis[2,6-xylenol]","4,4'-sulfanediylbis(2,6-dimethylphenol)",Cc1cc(Sc2cc(C)c(O)c(C)c2)cc(C)c1O,Cc1cc(Sc2cc(C)c(O)c(C)c2)cc(C)c1O,"InChI=1/C16H18O2S/c1-9-5-13(6-10(2)15(9)17)19-14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3",C16H18O2S,,,,,,JPSMTGONABILTP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.534,242-404-1,18530-30-8,Bismuth tris(2-oxobornane-3-carboxylate),"bismuth(3+) tris(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate)",[BiH3+3].CC1(C)C2CCC1(C)C(=O)C2C(=O)[O-].CC3(C)C4CCC3(C)C(=O)C4C(=O)[O-].CC5(C)C6CCC5(C)C(=O)C6C(=O)[O-],[BiH3+3].CC1(C)C2CCC1(C)C(=O)C2C(=O)[O-].CC3(C)C4CCC3(C)C(=O)C4C(=O)[O-].CC5(C)C6CCC5(C)C(=O)C6C(=O)[O-],"InChI=1/3C11H16O3.Bi.3H/c3*1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14;;;;/h3*6-7H,4-5H2,1-3H3,(H,13,14);;;;/q;;;+3;;;/p-3/r3C11H16O3.BiH3/c3*1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14;/h3*6-7H,4-5H2,1-3H3,(H,13,14);1H3/q;;;+3/p-3",C11H16O3,,,,,,JCOYMGIXANDIIB-UHFFFAOYSA-K,,,,,,,,,,,
100.038.536,242-406-2,18530-56-8,"(3aa,4a,5a,7a,7aa)-1,1-dimethyl-3-(octahydro-4,7-methano-1H-inden-5-yl)urea","1,1-dimethyl-3-(octahydro-1H-4,7-methanoinden-5-yl)urea",CN(C)C(=O)NC1CC2CC1C3CCCC23,CN(C)C(=O)NC1CC2CC1C3CCCC23,"InChI=1/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)",C13H22N2O,,,,,,YGLMVCVJLXREAK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.540,242-410-4,18537-69-4,2-chloro-2-methylpropionaldehyde oxime,2-chloro-2-methylpropanal oxime,CC(C)(Cl)\\C=N\\O,CC(C)(Cl)\C=N\O,"InChI=1/C4H8ClNO/c1-4(2,5)3-6-7/h3,7H,1-2H3",C4H8ClNO,,,,,,SZGTXZBWWMKXMH-ZZXKWVIFSA-N,,,,,,,,,,,
100.038.544,242-415-1,18545-02-3,Triisobutoxyvinylsilane,(triisobutoxyvinyl)silane,CC(C)COC(=C(OCC(C)C)OCC(C)C)[SiH3],CC(C)COC(=C(OCC(C)C)OCC(C)C)[SiH3],"InChI=1/C14H30O3Si/c1-10(2)7-15-13(16-8-11(3)4)14(18)17-9-12(5)6/h10-12H,7-9H2,1-6,18H3",C14H30O3Si,,,,,,ZGUMNGXUEWXJHT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.545,242-416-7,18545-28-3,3-oxopropyl acetate,3-oxopropyl acetate,CC(=O)OCCC=O,CC(=O)OCCC=O,"InChI=1/C5H8O3/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3",C5H8O3,,,,,,PRSPLAWXBFRHKV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.550,242-421-4,18550-94-2,"trans-2-hexyl-1,3-dioxan-5-ol","2-hexyl-1,3-dioxan-5-ol",CCCCCC[C@@H]1OC[C@@H](O)CO1,CCCCCC[C@@H]1OC[C@@H](O)CO1,"InChI=1/C10H20O3/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h9-11H,2-8H2,1H3",C10H20O3,,,,,,ZIWLHBBLQRQFSA-MGCOHNPYSA-N,,,,,,,,,,,
100.038.551,242-423-5,18559-59-6,"(S)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride","6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium chloride",[Cl-].COc1cc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc23)cc(OC)c1OC,[Cl-].COc1cc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc23)cc(OC)c1OC,"InChI=1/C19H23NO5.ClH/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;/h7-10,14,20-22H,4-6H2,1-3H3;1H",C19H23NO5.ClH,,,,,,UHSXRTHJCJGEKG-UQKRIMTDSA-N,,,,,,,,,,,
100.038.552,242-424-0,18559-94-9,Salbutamol,4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,"InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",C13H21NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7027,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.552,NDAUXUAQIAJITI-UHFFFAOYSA-N,Positive/Negative,AU110001|AU110002;EA285101|EA285102|EA285103|EA285104|EA285105|EA285106|EA285107|EA285108|EA285109|EA285110|EA285111|EA285112|EA285113|EA285114,[M+H]+;[M+H]+,CID10|CID19.4-29.2;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,222.1487:240.1592:166.0856|148.0763:166.0876:149.0794;222.1493:166.0865:148.0757|240.1596:222.149:148.0756|148.0759:222.1491:166.0864|148.0758:166.0864:222.1494|148.0758:121.0649:130.0652|148.0757:121.0648:130.0651|121.0649:91.0543:130.0652|240.1597:222.1491:148.0757|148.0758:222.149:166.0864|148.0758:166.0863:222.149|148.0758:121.0648:130.0652|148.0758:121.0649:130.0652|121.0648:91.0542:148.0757|222.149:166.0863:148.0757,Athens_Univ;Eawag,EA285151|EA285152|EA285153|EA285154|EA285155|EA285156|EA285158|EA285159|EA285160|EA285161|EA285162|EA285164,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,220.1346:218.119|238.1452:220.1334|220.1346:238.1451:218.1188|218.1186:220.1343:190.1232|190.1237:218.1193:163.0639|190.1239|238.145:220.1351|220.1343:238.1446|218.1189:220.1346:190.1234|190.1234:218.1191:163.0637|190.1236|220.1345:218.1189,Eawag
100.033.754,237-145-6,13665-88-8,Mopidamol,"2,2',2'',2'''-[(4-piperidin-1-ylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetraethanol",OCCN(CCO)c1ncc2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO,OCCN(CCO)c1ncc2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO,"InChI=1/C19H31N7O4/c27-10-6-25(7-11-28)18-20-14-15-16(22-18)17(24-4-2-1-3-5-24)23-19(21-15)26(8-12-29)9-13-30/h14,27-30H,1-13H2",C19H31N7O4,,,,,,FOYWNSCCNCUEPU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.755,237-146-1,13668-61-6,Cyclopent-2-enylacetic acid,cyclopent-2-en-1-ylacetic acid,OC(=O)CC1CCC=C1,OC(=O)CC1CCC=C1,"InChI=1/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)",C7H10O2,,,,,,NNRZTJAACCRFRV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.762,237-154-5,13672-07-6,"2-bromo-3,4-dihydronaphthalen-1(2H)-one","2-bromo-3,4-dihydronaphthalen-1(2H)-one",BrC1CCc2ccccc2C1=O,BrC1CCc2ccccc2C1=O,"InChI=1/C10H9BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9H,5-6H2",C10H9BrO,,,,,,AYNCWMIFKFADCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.772,237-165-5,13676-82-9,"4,4'-isopropylidenebis[2,6-di-tert-butylphenol]","4,4'-propane-2,2-diylbis(2,6-di-tert-butylphenol)",CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C,CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C,"InChI=1/C31H48O2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)31(13,14)20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3",C31H48O2,,,,,,QHPKIUDQDCWRKO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.103,241-929-3,18018-33-2,1-ethyl-2-methyl-6-nitro-5-(trifluoromethyl)-benzimidazole,1-ethyl-2-methyl-6-nitro-5-(trifluoromethyl)-1H-benzimidazole,CCn1c(C)nc2cc(c(cc12)[N+](=O)[O-])C(F)(F)F,CCn1c(C)nc2cc(c(cc12)[N+](=O)[O-])C(F)(F)F,"InChI=1/C11H10F3N3O2/c1-3-16-6(2)15-8-4-7(11(12,13)14)9(17(18)19)5-10(8)16/h4-5H,3H2,1-2H3",C11H10F3N3O2,,,,,,LAODWIJWEKBHTP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.094,237-518-3,13824-30-1,Bis(2-hydroxypropyl) methylenesuccinate,bis(2-hydroxypropyl) 2-methylenesuccinate,CC(O)COC(=O)CC(=C)C(=O)OCC(C)O,CC(O)COC(=O)CC(=C)C(=O)OCC(C)O,"InChI=1/C11H18O6/c1-7(11(15)17-6-9(3)13)4-10(14)16-5-8(2)12/h8-9,12-13H,1,4-6H2,2-3H3",C11H18O6,,,,,,QOLRMRIVONNWSS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.099,237-524-6,13825-76-8,Holmium tribromide,holmium tribromide,[Br-].[Br-].[Br-].[Ho+3],[Br-].[Br-].[Br-].[Ho+3],InChI=1/3BrH.Ho/h3*1H;/q;;;+3/p-3,Br3Ho,,,,,,MZNSYJWLQLXLHE-UHFFFAOYSA-K,,,,,,,,,,,
100.034.103,237-528-8,13826-65-8,Lead nitrite,lead(4+) tetranitrite,[Pb+2].[O-]N=O.[O-]N=O,[Pb+2].[O-]N=O.[O-]N=O,"InChI=1/2HNO2.Pb.2H/c2*2-1-3;;;/h2*(H,2,3);;;/q;;+4;;/p-2/r2HNO2.H2Pb/c2*2-1-3;/h2*(H,2,3);1H2/q;;+4/p-2",HNO2.1/2Pb,,,,,,VVOUQFXJSCDIAO-UHFFFAOYSA-L,,,,,,,,,,,
100.034.112,237-538-2,13827-38-8,"2,4,6,7,8-pentaoxa-3,5-diphospha-1-silatricyclo[3.1.1.11,3]octane 3,5-dioxide","2,4,6,7-tetraoxa-1,3-diphospha-5-silabicyclo[3.1.1]heptan-3-ol 1,3-dioxide",OP1(=O)O[Si]2OP(=O)(O2)O1,OP1(=O)O[Si]2OP(=O)(O2)O1,"InChI=1/HO7P2Si/c1-8(2)4-9(3)6-10(5-8)7-9/h(H,1,2)",O7P2Si,,,,,,ZNMTYQXRISWSMB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.117,237-544-5,13832-25-2,Cadmium diricinoleate,cadmium bis(12-hydroxyoctadec-9-enoate),[Cd+2].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Cd+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O3.Cd/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H34O3.1/2Cd,,,,,,GBLYTSBKAKSXHI-GNNYBVKZSA-L,,,,,,,,,,,
100.034.119,237-546-6,13833-42-6,"O,O-dipentyl hydrogen dithiophosphate, compound with 2-aminoethanol (1:1)","O,O-dipentyl hydrogen dithiophosphate - 2-aminoethanol (1:1)",CCCCCOP(=S)(S)OCCCCC.NCCO,CCCCCOP(=S)(S)OCCCCC.NCCO,"InChI=1/C10H23O2PS2.C2H7NO/c1-3-5-7-9-11-13(14,15)12-10-8-6-4-2;3-1-2-4/h3-10H2,1-2H3,(H,14,15);4H,1-3H2",C10H23O2PS2.C2H7NO,,,,,,RFCQVBHYQAVNCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.124,237-551-3,13837-60-0,"2-ethynyltetrahydro-2,6,6-trimethyl-2H-pyran","2-ethynyl-2,6,6-trimethyltetrahydro-2H-pyran",CC1(C)CCCC(C)(O1)C#C,CC1(C)CCCC(C)(O1)C#C,"InChI=1/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h1H,6-8H2,2-4H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16285,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.124,XSDYMDMXNRPZHU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.625,239-204-1,15142-96-8,"Hexasodium dihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","hexasodium dihydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.6Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;6*+1/p-8",C6H20N2O12P4.6Na,,,,,,OEKKAQBZZLRNMB-UHFFFAOYSA-F,,,,,,,,,,,
100.035.635,239-215-1,15162-92-2,Neodymium tribromate,neodymium tribromate,[Nd+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Nd+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Nd/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Nd,,,,,,MKGCFYHXHGVEHF-UHFFFAOYSA-K,,,,,,,,,,,
100.030.799,233-892-7,10416-59-8,Trimethylsilyl N-trimethylsilylacetamidate,trimethylsilyl N-(trimethylsilyl)ethanimidoate,CC(=N[Si](C)(C)C)O[Si](C)(C)C,CC(=N[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C8H21NOSi2/c1-8(9-11(2,3)4)10-12(5,6)7/h1-7H3",C8H21NOSi2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7341,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.799,SIOVKLKJSOKLIF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.800,233-893-2,10416-67-8,N-(trimethylsilyl)phthalimide,"2-(trimethylsilyl)-1H-isoindole-1,3(2H)-dione",C[Si](C)(C)N1C(=O)c2ccccc2C1=O,C[Si](C)(C)N1C(=O)c2ccccc2C1=O,"InChI=1/C11H13NO2Si/c1-15(2,3)12-10(13)8-6-4-5-7-9(8)11(12)14/h4-7H,1-3H3",C11H13NO2Si,,,,,,ZRAPHEBMDYQXKR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.803,233-896-9,10419-85-9,Diphenyl (chloromethyl)phosphonate,diphenyl (chloromethyl)phosphonate,ClCP(=O)(Oc1ccccc1)Oc2ccccc2,ClCP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C13H12ClO3P/c14-11-18(15,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,11H2",C13H12ClO3P,,,,,,WGCJUPJNMGWDAU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.811,233-906-1,10430-46-3,9-(acetamido)-5-aminobenzo[a]phenoxazin-7-ium chloride,9-acetamido-5-aminobenzo[a]phenoxazin-7-ium chloride,[Cl-].CC(=O)Nc1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1,[Cl-].CC(=O)Nc1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1,"InChI=1/C18H13N3O2.ClH/c1-10(22)20-11-6-7-15-16(8-11)23-17-9-14(19)12-4-2-3-5-13(12)18(17)21-15;/h2-9H,19H2,1H3;1H",C18H14N3O2.Cl,,,,,,CFSRZEGIXAIFBC-UHFFFAOYSA-M,,,,,,,,,,,
100.038.121,241-949-2,18039-18-4,Methyl 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]vinyl]benzoate,"methyl 4-{2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]vinyl}benzoate",COC(=O)c1ccc(\\C=C\\c2ccc(cc2)c3oc4ccc(C)cc4n3)cc1,COC(=O)c1ccc(\C=C\c2ccc(cc2)c3oc4ccc(C)cc4n3)cc1,"InChI=1/C24H19NO3/c1-16-3-14-22-21(15-16)25-23(28-22)19-10-6-17(7-11-19)4-5-18-8-12-20(13-9-18)24(26)27-2/h3-15H,1-2H3",C24H19NO3,,,,,,QQKFUTGTZXPBGA-SNAWJCMRSA-N,,,,,,,,,,,
100.038.124,241-952-9,18042-54-1,Triacetoxyphenylsilane,phenylsilanetriyl triacetate,CC(=O)O[Si](OC(=O)C)(OC(=O)C)c1ccccc1,CC(=O)O[Si](OC(=O)C)(OC(=O)C)c1ccccc1,"InChI=1/C12H14O6Si/c1-9(13)16-19(17-10(2)14,18-11(3)15)12-7-5-4-6-8-12/h4-8H,1-3H3",C12H14O6Si,,,,,,VLFKGWCMFMCFRM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.006,236-322-5,13300-09-9,4-methyl-6-phenylpyridazin-3(2H)-one,4-methyl-6-phenylpyridazin-3(2H)-one,CC1=CC(=NNC1=O)c2ccccc2,CC1=CC(=NNC1=O)c2ccccc2,"InChI=1/C11H10N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)",C11H10N2O,,,,,,HNZITGUYCFHIMD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.008,236-324-6,13301-60-5,N-[2-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-5-(diethylamino)phenyl]acetamide,N-[2-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}-5-(diethylamino)phenyl]acetamide,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)S(C)(=O)=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)S(C)(=O)=O,"InChI=1/C19H23ClN4O3S/c1-5-24(6-2)14-7-9-18(19(11-14)21-13(3)25)23-22-17-10-8-15(12-16(17)20)28(4,26)27/h7-12H,5-6H2,1-4H3,(H,21,25)",C19H23ClN4O3S,,,,,,NOSYDKSCDZTOKC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.009,236-325-1,13301-61-6,"3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile","3-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O,"InChI=1/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3",C17H15Cl2N5O2,,,,,,KHZRTXVUEZJYNE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.012,236-328-8,13303-10-1,tert-butyl p-nitrophenyl carbonate,tert-butyl 4-nitrophenyl carbonate,CC(C)(C)OC(=O)Oc1ccc(cc1)[N+](=O)[O-],CC(C)(C)OC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H13NO5/c1-11(2,3)17-10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3",C11H13NO5,,,,,,XNPGBDJTEBCMHA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.032,236-350-8,13318-18-8,"Octahydro-4,7-methano-1H-indene-1,2,5-triol","octahydro-1H-4,7-methanoindene-1,2,5-triol",OC1CC2C3CC(CC3O)C2C1O,OC1CC2C3CC(CC3O)C2C1O,"InChI=1/C10H16O3/c11-7-2-4-1-5(7)6-3-8(12)10(13)9(4)6/h4-13H,1-3H2",C10H16O3,,,,,,RWQFKYRYAQYIQR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.641,239-221-4,15166-00-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C15H9F19O2/c1-5(2)6(35)36-4-3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h1,3-4H2,2H3",C15H9F19O2,,,,,,KTPONRIHDUNNPD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.644,239-225-6,15171-48-9,"2-methyl-1,2-oxaphospholan-5-one 2-oxide","2-methyl-1,2-oxaphospholan-5-one 2-oxide",CP1(=O)CCC(=O)O1,CP1(=O)CCC(=O)O1,"InChI=1/C4H7O3P/c1-8(6)3-2-4(5)7-8/h2-3H2,1H3",C4H7O3P,,,,,,LFMAOMQWCSTELR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.647,239-228-2,15180-00-4,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-valerate","11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3",C26H36O6,,,,,,BOFKYYWJAOZDPB-FZNHGJLXSA-N,,,,,,,,,,,
100.035.652,239-234-5,15182-92-0,p-[2-(dimethylamino)ethoxy]benzaldehyde,4-[2-(dimethylamino)ethoxy]benzaldehyde,CN(C)CCOc1ccc(C=O)cc1,CN(C)CCOc1ccc(C=O)cc1,"InChI=1/C11H15NO2/c1-12(2)7-8-14-11-5-3-10(9-13)4-6-11/h3-6,9H,7-8H2,1-2H3",C11H15NO2,,,,,,CBOKAZFQZOQTOC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.653,239-235-0,15184-27-7,"(3,3-diethoxypropyl)triethoxysilane","(3,3-diethoxypropyl)(triethoxy)silane",CCOC(CC[Si](OCC)(OCC)OCC)OCC,CCOC(CC[Si](OCC)(OCC)OCC)OCC,"InChI=1/C13H30O5Si/c1-6-14-13(15-7-2)11-12-19(16-8-3,17-9-4)18-10-5/h13H,6-12H2,1-5H3",C13H30O5Si,,,,,,FNVLANCFUDHVBO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.662,239-245-5,15190-13-3,a-(4-methoxyphenyl)morpholine-4-acetonitrile,(4-methoxyphenyl)(morpholin-4-yl)acetonitrile,COc1ccc(cc1)C(C#N)N2CCOCC2,COc1ccc(cc1)C(C#N)N2CCOCC2,"InChI=1/C13H16N2O2/c1-16-12-4-2-11(3-5-12)13(10-14)15-6-8-17-9-7-15/h2-5,13H,6-9H2,1H3",C13H16N2O2,,,,,,FFBHHRZLHWDGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.668,239-251-8,15191-85-2,Beryllium orthosilicate,diberyllium orthosilicate,[Be+2].[Be+2].[O-][Si]([O-])([O-])[O-],[Be+2].[Be+2].[O-][Si]([O-])([O-])[O-],"InChI=1/2Be.O4Si/c;;1-5(2,3)4/q2*+2;-4",Be.1/2H4O4Si,,,,,,QZVSYHUREAVHQG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.333,238-883-1,14814-09-6,3-(triethoxysilyl)propanethiol,3-(triethoxysilyl)propane-1-thiol,CCO[Si](CCCS)(OCC)OCC,CCO[Si](CCCS)(OCC)OCC,"InChI=1/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3",C9H22O3SSi,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5391,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.333,DCQBZYNUSLHVJC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.338,238-888-9,14816-20-7,Chlorphoxim,chlorphoxim,Clc1ccccc1C(=NOP(=S)(OCC)OCC)C#N,Clc1ccccc1C(=NOP(=S)(OCC)OCC)C#N,"InChI=1/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3",C12H14ClN2O3PS,,,,,,GQKRUMZWUHSLJF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.355,238-907-0,14847-35-9,"1H-naphth[2,1-b][1,4]oxazin-2(3H)-one","1H-naphtho[2,1-b][1,4]oxazin-2(3H)-one",O=C1COc2ccc3ccccc3c2N1,O=C1COc2ccc3ccccc3c2N1,"InChI=1/C12H9NO2/c14-11-7-15-10-6-5-8-3-1-2-4-9(8)12(10)13-11/h1-6H,7H2,(H,13,14)",C12H9NO2,,,,,,PWEJJSREWZMHGC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.356,238-908-6,14847-54-2,1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphthol,1-[(2-hydroxy-5-nitrophenyl)diazenyl]-2-naphthol,Oc3ccc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O,Oc3ccc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O,"InChI=1/C16H11N3O4/c20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H",C16H11N3O4,,,,,,JCELUWDKTLANOY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.360,238-912-8,14850-22-7,(Z)-oct-3-ene,oct-3-ene,CCCC\\C=C/CC,CCCC\C=C/CC,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3",C8H16,,,,,,YCTDZYMMFQCTEO-ALCCZGGFSA-N,,,,,,,,,,,
100.030.826,233-922-9,10440-91-2,[(1-nitro-2-naphthyl)oxy]acetic acid,[(1-nitro-2-naphthyl)oxy]acetic acid,OC(=O)COc1ccc2ccccc2c1[N+](=O)[O-],OC(=O)COc1ccc2ccccc2c1[N+](=O)[O-],"InChI=1/C12H9NO5/c14-11(15)7-18-10-6-5-8-3-1-2-4-9(8)12(10)13(16)17/h1-6H,7H2,(H,14,15)",C12H9NO5,,,,,,SFCJJDUXVOQJMA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.837,233-934-4,10449-71-5,Trihexacosylaluminium,trihexacosylaluminum,CCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/3C26H53.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-26H2,2H3;/rC78H159Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-79(77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-78H2,1-3H3",C78H159Al,,,,,,GMKBFBZIBLGMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.839,233-937-0,10450-60-9,Orthoperiodic acid,pentahydroxy-lambda~5~-iodane oxide,OI(=O)(O)(O)(O)O,OI(=O)(O)(O)(O)O,"InChI=1/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)",H5IO6,,,,,,TWLXDPFBEPBAQB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.842,233-940-7,10453-86-8,Resmethrin,"(5-benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C,CC(=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C,"InChI=1/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3",C22H26O3,,,,,,VEMKTZHHVJILDY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.845,233-943-3,10457-90-6,Bromperidol,4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3,"InChI=1/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",C21H23BrFNO2,,,,,,RKLNONIVDFXQRX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.847,233-945-4,10460-00-1,(Z)-octadec-9-enylammonium acetate,octadec-9-en-1-aminium acetate,CCCCCCCC\\C=C/CCCCCCCC[NH3+].CC(=O)[O-],CCCCCCCC\C=C/CCCCCCCC[NH3+].CC(=O)[O-],"InChI=1/C18H37N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h9-10H,2-8,11-19H2,1H3;1H3,(H,3,4)",C18H37N.C2H4O2,,,,,,NLGOTHQMVKZTBP-KVVVOXFISA-N,,,,,,,,,,,
100.030.850,233-949-6,10464-96-7,"15,15'-didehydro-8'-apo-ß,<U+03C8>-carotenal","2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,10,12,14,16-heptaen-8-ynal",CC(=CC=CC(=CC#CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C)C=O,CC(=CC=CC(=CC#CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C)C=O,"InChI=1/C30H38O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h10-11,13-18,20-21,23H,12,19,22H2,1-7H3",C30H38O,,,,,,JVRGDLGGLNQQDB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.852,233-951-7,10465-78-8,"3-(N,N-dimethylcarbamoylimido)-1,1-dimethylurea","N,N,N',N'-tetramethyldiazene-1,2-dicarboxamide",CN(C)C(=O)N=NC(=O)N(C)C,CN(C)C(=O)N=NC(=O)N(C)C,InChI=1/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,C6H12N4O2,,,,,,VLSDXINSOMDCBK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.853,233-952-2,10466-61-2,(S)-2-amino-4-methylvaleramide monohydrochloride,L-leucinamide hydrochloride,Cl.CC(C)C[C@H](N)C(=O)N,Cl.CC(C)C[C@H](N)C(=O)N,"InChI=1/C6H14N2O.ClH/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H",C6H14N2O.ClH,,,,,,VSPSRRBIXFUMOU-JEDNCBNOSA-N,,,,,,,,,,,
100.033.779,237-172-3,13678-67-6,"2,2'-[thiobis(methylene)]bisfuran","2,2'-[sulfanediylbis(methylene)]difuran",C(SCc1occc1)c2occc2,C(SCc1occc1)c2occc2,"InChI=1/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2",C10H10O2S,,,,,,UYLKDZXJEKFFHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.780,237-173-9,13678-68-7,S-furfuryl ethanethioate,S-(2-furylmethyl) ethanethioate,CC(=O)SCc1occc1,CC(=O)SCc1occc1,"InChI=1/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3",C7H8O2S,,,,,,LQOUTUIIYXYBQW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.781,237-174-4,13678-69-8,"1-(2-thienyl)propane-1,2-dione","1-(2-thienyl)propane-1,2-dione",CC(=O)C(=O)c1cccs1,CC(=O)C(=O)c1cccs1,"InChI=1/C7H6O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3",C7H6O2S,,,,,,FDYDDUUWFJQMQC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.782,237-176-5,13679-46-4,2-(methoxymethyl)furan,2-(methoxymethyl)furan,COCc1occc1,COCc1occc1,"InChI=1/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3",C6H8O2,,,,,,GANSPRKOWQQXPE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.783,237-177-0,13679-61-3,Methyl thio-2-furoate,S-methyl furan-2-carbothioate,CSC(=O)c1occc1,CSC(=O)c1occc1,"InChI=1/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3",C6H6O2S,,,,,,ISKUAGFDTRLBHG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.790,237-184-9,13679-86-2,Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran,5-isopropenyl-2-methyl-2-vinyltetrahydrofuran,CC(=C)C1CCC(C)(O1)C=C,CC(=C)C1CCC(C)(O1)C=C,"InChI=1/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3",C10H16O,,,,,,XIGFNCYVSHOLIF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.800,237-195-9,13683-41-5,(1-bromovinyl)trimethylsilane,(1-bromovinyl)(trimethyl)silane,C[Si](C)(C)C(=C)Br,C[Si](C)(C)C(=C)Br,"InChI=1/C5H11BrSi/c1-5(6)7(2,3)4/h1H2,2-4H3",C5H11BrSi,,,,,,VVDJVCJVVHHCIB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.802,237-198-5,13684-56-5,Desmedipham,3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate (non-preferred name),CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1,CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1,"InChI=1/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)",C16H16N2O4,,,,,,WZJZMXBKUWKXTQ-UHFFFAOYSA-N,Positive,AU373801|AU373802|AU373803|AU373804|AU373805;EA014401|EA014402|EA014403|EA014404|EA014405|EA014406|EA014407|EA014408|EA014409|EA014410|EA014411|EA014412|EA014413|EA014414,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,182.0802:136.0383:183.083|136.0385:154.0491:182.0799|136.0383:154.0486:182.0797|136.0384:154.0487:137.0411|136.0383:137.0422:154.0486;182.0813:136.0393:154.0497|182.0811:136.0393:154.0499|136.0392:154.0498:182.081|136.0393:154.0499:108.0444|136.0393:108.0443:154.0499|136.0393:108.0444:121.0395|108.0443:65.0385:121.0395|182.0812:136.0393:154.0499|136.0392:154.0498:182.0811|136.0392:154.0498:108.0443|136.0392:108.0443:154.0498|136.0393:108.0443:121.0395|108.0443:121.0396:65.0385|182.0812:136.0392:154.0497,Athens_Univ;Eawag,,,,,
100.031.554,234-724-5,12027-70-2,Disodium tin hexahydroxide,disodium tin hexahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Na+].[Na+].[Sn+4],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Na+].[Na+].[Sn+4],InChI=1/2Na.6H2O.Sn/h;;6*1H2;/q2*+1;;;;;;;+4/p-6,H6O6Sn.2Na,,,,,,PMPBLIIMRRPPEO-UHFFFAOYSA-H,,,,,,,,,,,
100.031.567,234-738-1,12029-86-6,"Antimony, compound with holmium (1:1)",-,[Sb].[Ho],[Sb].[Ho],InChI=1/Ho.Sb/q2*+3,Ho.Sb,,,,,,YKTSXCSFAGWXCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.876,240-580-4,16515-58-5,7-(5-butoxy-6-methyl-2H-benzotriazol-2-yl)-3-phenyl-2-benzopyrone,7-(5-butoxy-6-methyl-1H-benzotriazol-1-yl)-3-phenyl-2H-chromen-2-one,CCCCOc1cc2nnn(c3ccc4C=C(C(=O)Oc4c3)c5ccccc5)c2cc1C,CCCCOc1cc2nnn(c3ccc4C=C(C(=O)Oc4c3)c5ccccc5)c2cc1C,"InChI=1/C26H23N3O3/c1-3-4-12-31-24-16-22-23(13-17(24)2)29(28-27-22)20-11-10-19-14-21(18-8-6-5-7-9-18)26(30)32-25(19)15-20/h5-11,13-16H,3-4,12H2,1-2H3",C26H23N3O3,,,,,,NZWVDAODQMTJDN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.882,240-587-2,16518-26-6,Potassium p-tert-butylbenzoate,potassium 4-tert-butylbenzoate,[K+].CC(C)(C)c1ccc(cc1)C(=O)[O-],[K+].CC(C)(C)c1ccc(cc1)C(=O)[O-],"InChI=1/C11H14O2.K/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+1/p-1",C11H14O2.K,,,,,,GAJCVIMKCAZHEO-UHFFFAOYSA-M,,,,,,,,,,,
100.036.891,240-597-7,16529-65-0,Zinc didocosanoate,zinc didocosanoate,[Zn+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C22H44O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2",C22H44O2.1/2Zn,,,,,,IJQXGKBNDNQWAT-UHFFFAOYSA-L,,,,,,,,,,,
100.036.897,240-603-8,16533-71-4,"3,5-dinitro-p-toluic acid","4-methyl-3,5-dinitrobenzoic acid",Cc1c(cc(cc1[N+](=O)[O-])C(=O)O)[N+](=O)[O-],Cc1c(cc(cc1[N+](=O)[O-])C(=O)O)[N+](=O)[O-],"InChI=1/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)",C8H6N2O6,,,,,,LZWWZQXBKVZKIP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.900,240-606-4,16534-12-6,"4-bromo-3,5-dihydroxybenzoic acid","4-bromo-3,5-dihydroxybenzoic acid",OC(=O)c1cc(O)c(Br)c(O)c1,OC(=O)c1cc(O)c(Br)c(O)c1,"InChI=1/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)",C7H5BrO4,,,,,,NUTRHYYFCDEALP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.905,240-612-7,16545-53-2,"Octadecyl [[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]acetate","octadecyl [(4-hydroxy-3,5-dimethylbenzyl)sulfanyl]acetate",CCCCCCCCCCCCCCCCCCOC(=O)CSCc1cc(C)c(O)c(C)c1,CCCCCCCCCCCCCCCCCCOC(=O)CSCc1cc(C)c(O)c(C)c1,"InChI=1/C29H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32-28(30)24-33-23-27-21-25(2)29(31)26(3)22-27/h21-22,31H,4-20,23-24H2,1-3H3",C29H50O3S,,,,,,IXVLEAZXSJJKFR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.907,240-614-8,16545-85-0,(1-carboxylatopentadecyl)trimethylammonium,2-(trimethylammonio)hexadecanoate,CCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C,CCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C,"InChI=1/C19H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(21)22)20(2,3)4/h18H,5-17H2,1-4H3",C19H39NO2,,,,,,NAQCLDVZUBWFFK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.812,233-907-7,10430-57-6,Sodium 4-[4-[(3-chlorophenyl)azo]-3-methyl-5-oxo-2-pyrazolin-1-yl]benzenesulphonate,"sodium 4-{4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cccc(Cl)c2)C3=O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cccc(Cl)c2)C3=O,"InChI=1/C16H13ClN4O4S.Na/c1-10-15(19-18-12-4-2-3-11(17)9-12)16(22)21(20-10)13-5-7-14(8-6-13)26(23,24)25;/h2-9,15H,1H3,(H,23,24,25);/q;+1/p-1",C16H13ClN4O4S.Na,,,,,,GJSBEPNMBOZQQO-UHFFFAOYSA-M,,,,,,,,,,,
100.030.815,233-910-3,10431-61-5,p-(epoxyethyl)styrene,2-(4-vinylphenyl)oxirane,C=Cc1ccc(cc1)C2CO2,C=Cc1ccc(cc1)C2CO2,"InChI=1/C10H10O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2-6,10H,1,7H2",C10H10O,,,,,,DENMIBABNWPFEG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.979,241-794-0,17833-43-1,7-(a-D-glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl alpha-D-glucopyranoside,CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,"InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3",C16H18O8,,,,,,YUDPTGPSBJVHCN-JZYAIQKZSA-N,,,,,,,,,,,
100.037.990,241-805-9,17852-69-6,1-ethyl-6-methoxy-2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium,"3-{2-[(1-ethyl-6-methoxyquinolinium-2-yl)methylene]-5-methoxy-1,3-benzoselenazol-3(2H)-yl}propane-1-sulfonate",[O-]S(=O)(=O)CCCN3c4cc(ccc4[Se]C3=Cc1ccc2cc(OC)ccc2[n+]1CC)OC,[O-]S(=O)(=O)CCCN3c4cc(ccc4[Se]C3=Cc1ccc2cc(OC)ccc2[n+]1CC)OC,"InChI=1/C24H26N2O5SSe/c1-4-25-18(7-6-17-14-19(30-2)8-10-21(17)25)15-24-26(12-5-13-32(27,28)29)22-16-20(31-3)9-11-23(22)33-24/h6-11,14-16H,4-5,12-13H2,1-3H3",C24H26N2O5SSe,,,,,,TULGBBGFVMDUFF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.991,241-806-4,17852-98-1,Barium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate,barium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate,[Ba+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Ba+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C18H14N2O6S.Ba/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2",C18H14N2O6S.Ba,,,,,,GSEGKBMSKPDICA-UHFFFAOYSA-L,,,,,,,,,,,
100.037.995,241-811-1,17855-14-0,"Sulphuric acid, magnesium potassium salt",-,[Mg+2].[K+].[O-]S(=O)(=O)[O-],[Mg+2].[K+].[O-]S(=O)(=O)[O-],"InChI=1/K.Mg.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q+1;+2;/p-2",H2O4S.xK.xMg,,,,,,OJXVUEMVNWMNCR-UHFFFAOYSA-L,,,,,,,,,,,
100.032.255,235-493-3,12253-23-5,"Aluminium, compound with barium (4:1)",aluminum - barium (4:1),[AlH3].[AlH3].[AlH3].[AlH3].[Ba],[AlH3].[AlH3].[AlH3].[AlH3].[Ba],InChI=1/4Al.Ba.12H/q4*+3;+2;;;;;;;;;;;;/r4AlH3.Ba/h4*1H3;/q4*+3;+2,Al.Ba,,,,,,OFLGFBRYHYPEGF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.799,240-496-8,16445-01-5,"N,N'-(iminodiethylene)dioleamide","N,N'-(iminodiethane-2,1-diyl)bisoctadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNCCNC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCCNC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C40H77N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41H,3-16,21-38H2,1-2H3,(H,42,44)(H,43,45)",C40H77N3O2,,,,,,GPLIMPUKYAQOSM-CLFAGFIQSA-N,,,,,,,,,,,
100.036.804,240-501-3,16452-02-1,4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonic acid,4-hydroxy-3-[(2-methoxy-5-methyl-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-1-sulfonic acid,COc3cc(c(C)cc3N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,COc3cc(c(C)cc3N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,"InChI=1/C20H20N2O11S3/c1-12-9-15(17(32-2)11-18(12)34(24,25)8-7-33-36(29,30)31)21-22-16-10-19(35(26,27)28)13-5-3-4-6-14(13)20(16)23/h3-6,9-11,23H,7-8H2,1-2H3,(H,26,27,28)(H,29,30,31)",C20H20N2O11S3,,,,,,HQWQFTNOKTZRTH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.806,240-503-4,16452-32-7,"(4a,4aa,8aa)-octahydro-4,8a-dimethyl-4a(2H)-naphthol","4,8a-dimethyloctahydronaphthalen-4a(2H)-ol",C[C@H]1CCC[C@]2(C)CCCC[C@]12O,C[C@H]1CCC[C@]2(C)CCCC[C@]12O,"InChI=1/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3",C12H22O,,,,,,JLPUXFOGCDVKGO-SRVKXCTJSA-N,,,,,,,,,,,
100.036.809,240-507-6,16456-36-3,Tetradecyl octanoate,tetradecyl octanoate,CCCCCCCCCCCCCCOC(=O)CCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCCC,"InChI=1/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-21-24-22(23)20-18-16-8-6-4-2/h3-21H2,1-2H3",C22H44O2,,,,,,HJUSCZXBOMVODD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.810,240-508-1,16456-56-7,Butyl hydrogen phosphonate,butyl hydrogen phosphonate,CCCCOP(=O)O,CCCCOP(=O)O,"InChI=1/C4H11O3P/c1-2-3-4-7-8(5)6/h8H,2-4H2,1H3,(H,5,6)",C4H11O3P,,,,,,WCJLOEFXANROAO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.813,240-511-8,16466-44-7,N-ethylbenzanilide,N-ethyl-N-phenylbenzamide,CCN(C(=O)c1ccccc1)c2ccccc2,CCN(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C15H15NO/c1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,2H2,1H3",C15H15NO,,,,,,VSURRQZMKWVYIC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.820,240-519-1,16469-21-9,Lutetium trihydroxide,lutetium trihydroxide,[OH-].[OH-].[OH-].[Lu+3],[OH-].[OH-].[OH-].[Lu+3],InChI=1/Lu.3H2O/h;3*1H2/q+3;;;/p-3,H3LuO3,,,,,,QVVDHJQBGNVGEB-UHFFFAOYSA-K,,,,,,,,,,,
100.036.821,240-520-7,16469-22-0,Yttrium trihydroxide,yttrium trihydroxide,[OH-].[OH-].[OH-].[Y+3],[OH-].[OH-].[OH-].[Y+3],InChI=1/3H2O.Y/h3*1H2;/q;;;+3/p-3,H3O3Y,,,,,,DEXZEPDUSNRVTN-UHFFFAOYSA-K,,,,,,,,,,,
100.035.684,239-269-6,15217-42-2,Sodium 1H-benzotriazolide,sodium benzotriazol-1-ide,[Na+].c1ccc2[n-]nnc2c1,[Na+].c1ccc2[n-]nnc2c1,InChI=1/C6H4N3.Na/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1,C6H5N3.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10204,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.684,POCQWBKETUXWSC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.489,242-354-0,18472-51-0,"D-gluconic acid, compound with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediamidine (2:1)","N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] - D-gluconic acid (1:2)",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,"InChI=1/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)",C22H30Cl2N10.2C6H12O7,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5618,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.489,YZIYKJHYYHPJIB-UUPCJSQJSA-N,,,,,,,,,,,
100.038.490,242-355-6,18472-87-2,"3,4,5,6-tetrachloro-2-(1,4,5,8-tetrabromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid","2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Brc5cc4c(Oc1c(cc(Br)c(O)c1Br)C43OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c(Br)c5O,Brc5cc4c(Oc1c(cc(Br)c(O)c1Br)C43OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c(Br)c5O,"InChI=1/C20H4Br4Cl4O5/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26/h1-2,29-30H",C20H4Br4Cl4O5.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17402,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.490,ZYIBVBKZZZDFOY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.491,242-356-1,18472-89-4,5-amino-9-(dimethylamino)-10-methylbenzo[a]phenoxazin-7-ium chloride,5-amino-9-(dimethylamino)-10-methylbenzo[a]phenoxazin-7-ium chloride,[Cl-].CN(C)c1cc2[o+]c3cc(N)c4ccccc4c3nc2cc1C,[Cl-].CN(C)c1cc2[o+]c3cc(N)c4ccccc4c3nc2cc1C,"InChI=1/C19H18N3O.ClH/c1-11-8-15-17(10-16(11)22(2)3)23-18-9-14(20)12-6-4-5-7-13(12)19(18)21-15;/h4-10H,20H2,1-3H3;1H/q+1;/p-1",C19H18N3O.Cl,,,,,,ABASSERKNXVFAX-UHFFFAOYSA-M,,,,,,,,,,,
100.038.495,242-360-3,18479-54-4,"3,7-dimethyl-4,6-octadien-3-ol","3,7-dimethylocta-4,6-dien-3-ol",CCC(C)(O)C=C\\C=C(\\C)C,CCC(C)(O)C=C\C=C(\C)C,"InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h6-8,11H,5H2,1-4H3",C10H18O,,,,,,QLRNLHNEZFMRSR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.499,242-365-0,18479-65-7,"a,a,4-trimethylcyclohexene-1-methanol",2-(4-methylcyclohex-1-en-1-yl)propan-2-ol,CC1CCC(=CC1)C(C)(C)O,CC1CCC(=CC1)C(C)(C)O,"InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h6,8,11H,4-5,7H2,1-3H3",C10H18O,,,,,,HMXMWOXFKFLOGK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.626,235-905-1,13036-83-4,"1,3,5-tributylhexahydro-1,3,5-triazine","1,3,5-tributyl-1,3,5-triazinane",CCCCN1CN(CCCC)CN(CCCC)C1,CCCCN1CN(CCCC)CN(CCCC)C1,"InChI=1/C15H33N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-15H2,1-3H3",C15H33N3,,,,,,OIQDTXAPPNRLAS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.627,235-906-7,13039-27-5,"Sodium 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium hydroxide",-,[OH-].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,[OH-].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C24H46N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23,20-21-27)22-24(28)29;;/h27H,2-22H2,1H3;;1H2/q;+1;",C24H47N2O3.HO.Na,,,,,,DEPFQLUZPKASPT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.629,235-908-8,13040-03-4,"[1R-(1a,2ß,5a)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=CC(O)C2CC1C2(C)C,CC1=CC(O)C2CC1C2(C)C,"InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3",C10H16O,,,,,,WONIGEXYPVIKFS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.631,235-910-9,13040-18-1,Potassium decanoate,potassium decanoate,[K+].CCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCC(=O)[O-],"InChI=1/C10H20O2.K/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1",C10H20O2.K,,,,,,QDIGBJJRWUZARS-UHFFFAOYSA-M,,,,,,,,,,,
100.032.634,235-914-0,13042-02-9,Hex-2-enedinitrile,hex-2-enedinitrile,N#CCCC=CC#N,N#CCCC=CC#N,"InChI=1/C6H6N2/c7-5-3-1-2-4-6-8/h1,3H,2,4H2",C6H6N2,,,,,,ZQOHAQBXINVHHC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.637,235-917-7,13042-39-2,"1,4:3,6-dianhydro-D-glucitol 2-acetate","2-O-acetyl-1,4:3,6-dianhydro-D-glucitol",CC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,CC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,"InChI=1/C8H12O5/c1-4(9)13-6-3-12-7-5(10)2-11-8(6)7/h5-8,10H,2-3H2,1H3",C8H12O5,,,,,,ASUQMWUAFHPXOG-ULAWRXDQSA-N,,,,,,,,,,,
100.032.638,235-918-2,13043-10-2,"3,3'-bis(hydroxymethyl)-1,1'-ethylenediurea","N',N'''-ethane-1,2-diylbis[1-(hydroxymethyl)urea]",OCNC(=O)NCCNC(=O)NCO,OCNC(=O)NCCNC(=O)NCO,"InChI=1/C6H14N4O4/c11-3-9-5(13)7-1-2-8-6(14)10-4-12/h11-12H,1-4H2,(H2,7,9,13)(H2,8,10,14)",C6H14N4O4,,,,,,YPSAQVJMWGDIOA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.640,235-920-3,13047-13-7,4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one,4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one,CC1(CO)CN(NC1=O)c2ccccc2,CC1(CO)CN(NC1=O)c2ccccc2,"InChI=1/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)",C11H14N2O2,,,,,,DSVIHYOAKPVFEH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.855,233-954-3,10468-30-1,Cadmium dioleate,cadmium dioctadec-9-enoate,[Cd+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Cd+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Cd,,,,,,ZTSAVNXIUHXYOY-CVBJKYQLSA-L,,,,,,,,,,,
100.030.863,233-963-2,10473-13-9,"2,3-dimethyl-3-buten-2-ol","2,3-dimethylbut-3-en-2-ol",CC(=C)C(C)(C)O,CC(=C)C(C)(C)O,"InChI=1/C6H12O/c1-5(2)6(3,4)7/h7H,1H2,2-4H3",C6H12O,,,,,,AWDLBZUXUNIODN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.871,233-972-1,10476-86-5,Strontium iodide,strontium diiodide,[Sr+2].[I-].[I-],[Sr+2].[I-].[I-],InChI=1/2HI.Sr/h2*1H;/q;;+2/p-2,I2Sr,,,,,,KRIJWFBRWPCESA-UHFFFAOYSA-L,,,,,,,,,,,
100.031.922,235-127-2,12070-78-9,Ethylammonium tetrafluoroborate(1-),ethanaminium tetrafluoroborate,CC[NH3+].F[B-](F)(F)F,CC[NH3+].F[B-](F)(F)F,"InChI=1/C2H7N.BF4/c1-2-3;2-1(3,4)5/h2-3H2,1H3;/q;-1/p+1",C2H7N.BF4.H,,,,,,YAGCIVXJAKJBMA-UHFFFAOYSA-O,,,,,,,,,,,
100.031.943,235-150-8,12083-48-6,"Dichlorobis(<U+03B7>5-cyclopenta-2,4-dien-1-yl)vanadium","dichloro(dicyclopenta-2,4-dien-1-yl)vanadium",Cl[V](Cl)(C1C=CC=C1)C2C=CC=C2,Cl[V](Cl)(C1C=CC=C1)C2C=CC=C2,"InChI=1/2C5H5.2ClH.V/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2/rC10H10Cl2V/c11-13(12,9-5-1-2-6-9)10-7-3-4-8-10/h1-10H",C10H10Cl2V,,,,,,MDWJZZZKWHLMQP-UHFFFAOYSA-L,,,,,,,,,,,
100.045.219,249-757-0,29658-97-7,Dodecenylsuccinic acid,2-dodec-1-en-1-ylsuccinic acid,OC(=O)C(C=CCCCCCCCCCC)CC(O)=O,OC(=O)C(C=CCCCCCCCCCC)CC(O)=O,"InChI=1/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20)",C16H28O4,,,,,,QDCPNGVVOWVKJG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.228,249-767-5,29672-00-2,Butyl bis(chloromethyl)carbamate,butyl bis(chloromethyl)carbamate,CCCCOC(=O)N(CCl)CCl,CCCCOC(=O)N(CCl)CCl,"InChI=1/C7H13Cl2NO2/c1-2-3-4-12-7(11)10(5-8)6-9/h2-6H2,1H3",C7H13Cl2NO2,,,,,,SGGDXVVDVKMMSO-UHFFFAOYSA-N,,,,,,,,,,,
100.045.235,249-774-3,29682-41-5,"1,4-dichloro-2-iodobenzene","1,4-dichloro-2-iodobenzene",Clc1ccc(Cl)c(I)c1,Clc1ccc(Cl)c(I)c1,InChI=1/C6H3Cl2I/c7-4-1-2-5(8)6(9)3-4/h1-3H,C6H3Cl2I,,,,,,SBHVNORGKIPGCL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.237,249-776-4,29682-46-0,"2,6-dichloro-3-nitrotoluene","1,3-dichloro-2-methyl-4-nitrobenzene",Cc1c(Cl)ccc(c1Cl)[N+](=O)[O-],Cc1c(Cl)ccc(c1Cl)[N+](=O)[O-],"InChI=1/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3",C7H5Cl2NO2,,,,,,WBNZUUIFTPNYRN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.242,249-782-7,29699-21-6,"1,4-diisooctyl sulphosuccinate","1,4-bis[(6-methylheptyl)oxy]-1,4-dioxobutane-2-sulfonic acid",CC(C)CCCCCOC(=O)CC(C(=O)OCCCCCC(C)C)S(=O)(=O)O,CC(C)CCCCCOC(=O)CC(C(=O)OCCCCCC(C)C)S(=O)(=O)O,"InChI=1/C20H38O7S/c1-16(2)11-7-5-9-13-26-19(21)15-18(28(23,24)25)20(22)27-14-10-6-8-12-17(3)4/h16-18H,5-15H2,1-4H3,(H,23,24,25)",C20H38O7S,,,,,,VJWGHGJYLCJIEK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.246,249-786-9,29704-46-9,Sodium hydrogen (R)-12-(sulphonatooxy)oleate,sodium hydrogen 12-(sulfonatooxy)octadec-9-enoate,[Na+].CCCCCC[C@H](C\\C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)[O-],[Na+].CCCCCC[C@H](C\C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)[O-],"InChI=1/C18H34O6S.Na/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20;/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-2",C18H34O6S.Na,,,,,,LXVQWMLOHFDJAM-DPMBMXLASA-L,,,,,,,,,,,
100.041.005,245-122-7,22613-51-0,2-acetoxyethyl stearate,2-acetoxyethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)C,CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)C,"InChI=1/C22H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)26-20-19-25-21(2)23/h3-20H2,1-2H3",C22H42O4,,,,,,JSUVMLHNHUCJTE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.010,245-127-4,22618-22-0,"2,3-xylyl acetate","2,3-dimethylphenyl acetate",CC(=O)Oc1cccc(C)c1C,CC(=O)Oc1cccc(C)c1C,"InChI=1/C10H12O2/c1-7-5-4-6-10(8(7)2)12-9(3)11/h4-6H,1-3H3",C10H12O2,,,,,,BDRDXXDADCHOEU-UHFFFAOYSA-N,,,,,,,,,,,
100.041.011,245-129-5,22618-23-1,"3,4-xylyl acetate","3,4-dimethylphenyl acetate",CC(=O)Oc1ccc(C)c(C)c1,CC(=O)Oc1ccc(C)c(C)c1,"InChI=1/C10H12O2/c1-7-4-5-10(6-8(7)2)12-9(3)11/h4-6H,1-3H3",C10H12O2,,,,,,ZFIOOTIKKICLOR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.364,238-917-5,14852-31-4,Hexadecan-2-ol,hexadecan-2-ol,CCCCCCCCCCCCCCC(C)O,CCCCCCCCCCCCCCC(C)O,"InChI=1/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3",C16H34O,,,,,,FVDRFBGMOWJEOR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.372,238-925-9,14858-73-2,Bis(2-ethylhexyl) carbonate,bis(2-ethylhexyl) carbonate,CCCCC(CC)COC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)OCC(CC)CCCC,"InChI=1/C17H34O3/c1-5-9-11-15(7-3)13-19-17(18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",C17H34O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11038,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.372,PXTQQOLKZBLYDY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.003,240-719-9,16673-01-1,1-hydroxy-4-[(4-methoxyphenyl)thio]anthraquinone,"1-hydroxy-4-[(4-methoxyphenyl)sulfanyl]-9,10-anthraquinone",COc1ccc(Sc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,COc1ccc(Sc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C21H14O4S/c1-25-12-6-8-13(9-7-12)26-17-11-10-16(22)18-19(17)21(24)15-5-3-2-4-14(15)20(18)23/h2-11,22H,1H3",C21H14O4S,,,,,,GPKKHRIXFZCDJC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.909,240-616-9,16547-58-3,Iron(2+) sulphate,iron(2+) sulfate,[Fe+2].[O-]S(=O)(=O)[O-],[Fe+2].[O-]S(=O)(=O)[O-],"InChI=1/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Fe.xH2O4S,,,,,,BAUYGSIQEAFULO-UHFFFAOYSA-L,,,,,,,,,,,
100.036.910,240-617-4,16554-45-3,6-nitro-o-anisidine,2-methoxy-6-nitroaniline,COc1cccc(c1N)[N+](=O)[O-],COc1cccc(c1N)[N+](=O)[O-],"InChI=1/C7H8N2O3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,8H2,1H3",C7H8N2O3,,,,,,NDKWDGCTUOOAPF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.553,242-425-6,18583-41-0,(4-methoxybenzyl)triphenylphosphonium chloride,(4-methoxybenzyl)(triphenyl)phosphonium chloride,[Cl-].COc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1,[Cl-].COc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1,"InChI=1/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1",C26H24OP,,,,,,YQXBNCFNXOFWLR-UHFFFAOYSA-M,,,,,,,,,,,
100.038.555,242-427-7,18586-39-5,Diphenyl[2-(triethoxysilyl)ethyl]phosphine,diphenyl[2-(triethoxysilyl)ethyl]phosphine,CCO[Si](CCP(c1ccccc1)c2ccccc2)(OCC)OCC,CCO[Si](CCP(c1ccccc1)c2ccccc2)(OCC)OCC,"InChI=1/C20H29O3PSi/c1-4-21-25(22-5-2,23-6-3)18-17-24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3",C20H29O3PSi,,,,,,HLXCYTXLQJWQFG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.560,242-432-4,18594-05-3,1-(4-cyclohexylphenyl)ethan-1-one,1-(4-cyclohexylphenyl)ethanone,CC(=O)c1ccc(cc1)C2CCCCC2,CC(=O)c1ccc(cc1)C2CCCCC2,"InChI=1/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3",C14H18O,,,,,,MSDQNIRGPBARGC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.565,242-438-7,18599-20-7,"1,4-dibromo-1,1,2,2-tetrafluorobutane","1,4-dibromo-1,1,2,2-tetrafluorobutane",FC(F)(Br)C(F)(F)CCBr,FC(F)(Br)C(F)(F)CCBr,"InChI=1/C4H4Br2F4/c5-2-1-3(7,8)4(6,9)10/h1-2H2",C4H4Br2F4,,,,,,ASHCDEYFCNWSTR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.572,242-446-0,18607-98-2,N-[(4-aminophenyl)sulphonyl]-N-(5-methylisoxazol-3-yl)acetamide,N-[(4-aminophenyl)sulfonyl]-N-(5-methylisoxazol-3-yl)acetamide,CC(=O)N(c1cc(C)on1)S(=O)(=O)c2ccc(N)cc2,CC(=O)N(c1cc(C)on1)S(=O)(=O)c2ccc(N)cc2,"InChI=1/C12H13N3O4S/c1-8-7-12(14-19-8)15(9(2)16)20(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3",C12H13N3O4S,,,,,,WOTJLXVSBKKTTH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.577,242-451-8,18622-23-6,"[1,1'-biphenyl]-4-carbohydrazide",biphenyl-4-carbohydrazide,NNC(=O)c1ccc(cc1)c2ccccc2,NNC(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C13H12N2O/c14-15-13(16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)",C13H12N2O,,,,,,QEUAQXSDDNDOTG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.582,242-457-0,18625-22-4,N-(N-D-leucylglycyl)glycine,D-leucylglycylglycine,CC(C)C[C@@H](N)C(=O)NCC(=O)NCC(=O)O,CC(C)C[C@@H](N)C(=O)NCC(=O)NCC(=O)O,"InChI=1/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)",C10H19N3O4,,,,,,VWHGTYCRDRBSFI-SSDOTTSWSA-N,,,,,,,,,,,
100.038.583,242-458-6,18625-33-7,2'-[17-[(1-oxoheptyl)oxy]androst-4-en-3-ylidene]-2-phenylglycolohydrazide,3-{[hydroxy(diphenyl)acetyl]hydrazono}androst-4-en-17-yl heptanoate,CCCCCCC(=O)OC1CCC2C3CCC4=CC(=NNC(=O)C(O)(c5ccccc5)c6ccccc6)CCC4(C)C3CCC12C,CCCCCCC(=O)OC1CCC2C3CCC4=CC(=NNC(=O)C(O)(c5ccccc5)c6ccccc6)CCC4(C)C3CCC12C,"InChI=1/C40H52N2O4/c1-4-5-6-13-18-36(43)46-35-22-21-33-32-20-19-30-27-31(23-25-38(30,2)34(32)24-26-39(33,35)3)41-42-37(44)40(45,28-14-9-7-10-15-28)29-16-11-8-12-17-29/h7-12,14-17,27,32-35,45H,4-6,13,18-26H2,1-3H3,(H,42,44)",C40H52N2O4,,,,,,PTVXYACXDYZNID-UHFFFAOYSA-N,,,,,,,,,,,
100.038.589,242-464-9,18635-05-7,"N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-methionine, compound with dicyclohexylamine (1:1)",N-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]-L-methionine - N-cyclohexylcyclohexanamine (1:1),CSCC[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O.C3CCC(CC3)NC4CCCCC4,CSCC[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O.C3CCC(CC3)NC4CCCCC4,"InChI=1/C21H25NO4S.C12H23N/c1-21(2,26-20(25)22-18(19(23)24)13-14-27-3)17-11-9-16(10-12-17)15-7-5-4-6-8-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2",C21H25NO4S.C12H23N,,,,,,ISELHPFGNSKCLX-FERBBOLQSA-N,,,,,,,,,,,
100.038.591,242-467-5,18635-45-5,"2,3-diaminopropionic acid hydrobromide",3-aminoalanine hydrobromide,Br.NCC(N)C(=O)O,Br.NCC(N)C(=O)O,"InChI=1/C3H8N2O2.BrH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H",C3H8N2O2.BrH,,,,,,IZNPALADKWAZMW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.804,237-200-4,13685-00-2,(2-bromo-1-methoxyethyl)benzene,(2-bromo-1-methoxyethyl)benzene,COC(CBr)c1ccccc1,COC(CBr)c1ccccc1,"InChI=1/C9H11BrO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",C9H11BrO,,,,,,XLUICHSZBNGJHF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.807,237-204-6,13689-20-8,Cyclohexyldiphenylphosphine oxide,cyclohexyl(diphenyl)phosphine oxide,O=P(C1CCCCC1)(c2ccccc2)c3ccccc3,O=P(C1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C18H21OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2",C18H21OP,,,,,,ICVUZKQDJNUMKC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.809,237-206-7,13692-14-3,"a-(chloromethyl)-2,4-dichlorobenzyl alcohol","2-chloro-1-(2,4-dichlorophenyl)ethanol",OC(CCl)c1ccc(Cl)cc1Cl,OC(CCl)c1ccc(Cl)cc1Cl,"InChI=1/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2",C8H7Cl3O,,,,,,XHEPANNURIQWRM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.717,237-104-2,13621-25-5,"3,4-dihydro-5,7-dimethylnaphthalen-1(2H)-one","5,7-dimethyl-3,4-dihydronaphthalen-1(2H)-one",Cc1cc(C)c2CCCC(=O)c2c1,Cc1cc(C)c2CCCC(=O)c2c1,"InChI=1/C12H14O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7H,3-5H2,1-2H3",C12H14O,,,,,,UYJCNOMEGPDXMV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.720,237-107-9,13623-11-5,"2,4,5-trimethylthiazole","2,4,5-trimethyl-1,3-thiazole",Cc1nc(C)c(C)s1,Cc1nc(C)c(C)s1,InChI=1/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3,C6H9NS,,,,,,BAMPVSWRQZNDQC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.721,237-108-4,13623-94-4,"1,1-bis(methylthio)-2-nitroethylene","1,1-bis(methylsulfanyl)-2-nitroethene",CSC(=C[N+](=O)[O-])SC,CSC(=C[N+](=O)[O-])SC,"InChI=1/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3",C4H7NO2S2,,,,,,NXGHEDHQXXXTTP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.724,237-112-6,13628-51-8,Gadolinium phosphate,gadolinium phosphate,[Gd+3].[O-]P(=O)([O-])[O-],[Gd+3].[O-]P(=O)([O-])[O-],"InChI=1/Gd.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",Gd.H3O4P,,,,,,JAOZQVJVXQKQAD-UHFFFAOYSA-K,,,,,,,,,,,
100.033.731,237-119-4,13636-10-7,"2,2-diphenylethyldimethylammonium chloride","N,N-dimethyl-2,2-diphenylethanaminium chloride",[Cl-].C[NH+](C)CC(c1ccccc1)c2ccccc2,[Cl-].C[NH+](C)CC(c1ccccc1)c2ccccc2,"InChI=1/C16H19N.ClH/c1-17(2)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H",C16H19N.ClH,,,,,,JJPWYLDSVSRHBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.733,237-122-0,13637-61-1,Zinc perchlorate,zinc diperchlorate,[Zn+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Zn+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Zn/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Zn,,,,,,RXBXBWBHKPGHIB-UHFFFAOYSA-L,,,,,,,,,,,
100.033.735,237-124-1,13637-71-3,Nickel diperchlorate,nickel(2+) diperchlorate,[Ni+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Ni+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Ni/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Ni,,,,,,ZLQBNKOPBDZKDP-UHFFFAOYSA-L,,,,,,,,,,,
100.033.739,237-128-3,13639-50-4,1-thio-ß-D-glucose pentaacetate,"2,3,4,6-tetra-O-acetyl-1-S-acetyl-1-thio-beta-D-glucopyranose",O=C(C)S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,O=C(C)S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,"InChI=1/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(26-12)27-11(5)21/h12-16H,6H2,1-5H3",C16H22O10S,,,,,,CFAJEDWNNGFOQV-LJIZCISZSA-N,,,,,,,,,,,
100.033.742,237-132-5,13643-42-0,N-[2-(2-oxoimidazolidin-1-yl)ethyl]crotonamide,N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide,C\\C=C\\C(=O)NCCN1CCNC1=O,C\C=C\C(=O)NCCN1CCNC1=O,"InChI=1/C9H15N3O2/c1-2-3-8(13)10-4-6-12-7-5-11-9(12)14/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)",C9H15N3O2,,,,,,VCBCPCANDXGMPG-NSCUHMNNSA-N,,,,,,,,,,,
100.033.746,237-136-7,13653-62-8,(1-methylpropylidene)bis[tert-butyl] peroxide,"2,2'-(butane-2,2-diyldidioxy)bis(2-methylbutane)",CCC(C)(C)OOC(C)(CC)OOC(C)(C)CC,CCC(C)(C)OOC(C)(CC)OOC(C)(C)CC,"InChI=1/C14H30O4/c1-9-12(4,5)15-17-14(8,11-3)18-16-13(6,7)10-2/h9-11H2,1-8H3",C14H30O4,,,,,,IVOIHMSMNONJSR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.747,237-137-2,13654-09-6,"Decabromo-1,1'-biphenyl",decabromobiphenyl,Brc1c(Br)c(Br)c(c(Br)c1Br)c2c(Br)c(Br)c(Br)c(Br)c2Br,Brc1c(Br)c(Br)c(c(Br)c1Br)c2c(Br)c(Br)c(Br)c(Br)c2Br,InChI=1/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16,C12Br10,,,,,,AQPHBYQUCKHJLT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.250,238-791-1,14732-18-4,Europium triiodate,-,[Eu+2].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Eu+2].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Eu.3HIO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+2;;;/p-3",Eu.3HIO3,,,,,,IEMOXCHUMPUBSJ-UHFFFAOYSA-K,,,,,,,,,,,
100.035.251,238-792-7,14732-19-5,Gadolinium triiodate,gadolinium triiodate,[Gd+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Gd+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Gd.3HIO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+3;;;/p-3",Gd.3HIO3,,,,,,FQBFRXMMVFCZEX-UHFFFAOYSA-K,,,,,,,,,,,
100.035.253,238-794-8,14732-21-9,Dysprosium triiodate,dysprosium triiodate,[Dy+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Dy+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Dy.3HIO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+3;;;/p-3",Dy.3HIO3,,,,,,ASAMDJHOONJZTG-UHFFFAOYSA-K,,,,,,,,,,,
100.035.259,238-801-4,14737-89-4,"(E)-3',4'-dimethoxycinnamic acid","3-(3,4-dimethoxyphenyl)acrylic acid",COc1ccc(C=CC(=O)O)cc1OC,COc1ccc(C=CC(=O)O)cc1OC,"InChI=1/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",C11H12O4,,,,,,HJBWJAPEBGSQPR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.264,238-807-7,14745-58-5,Ethyl 4-[(1-oxoallyl)amino]benzoate,ethyl 4-(acryloylamino)benzoate,CCOC(=O)c1ccc(NC(=O)C=C)cc1,CCOC(=O)c1ccc(NC(=O)C=C)cc1,"InChI=1/C12H13NO3/c1-3-11(14)13-10-7-5-9(6-8-10)12(15)16-4-2/h3,5-8H,1,4H2,2H3,(H,13,14)",C12H13NO3,,,,,,WPLURKJQMNROKG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.641,235-921-9,13048-33-4,Hexamethylene diacrylate,"hexane-1,6-diyl bisacrylate",C=CC(=O)OCCCCCCOC(=O)C=C,C=CC(=O)OCCCCCCOC(=O)C=C,"InChI=1/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2",C12H18O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14690,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.641,FIHBHSQYSYVZQE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.646,235-927-1,13051-01-9,Carbazochrome salicylate,"sodium 2-hydroxybenzoate 3-hydroxy-1-methylindoline-5,6-dione 5-semicarbazone (1:1)",[Na+].[O-]C(=O)c1ccccc1O.NC(=O)NN=C1\\C=C2/C(=C\\C1=O)N(C)CC2O,[Na+].[O-]C(=O)c1ccccc1O.NC(=O)NN=C1\C=C2/C(=C\C1=O)N(C)CC2O,"InChI=1/C10H12N4O3.C7H6O3.Na/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14;8-6-4-2-1-3-5(6)7(9)10;/h2-3,9,16H,4H2,1H3,(H3,11,13,17);1-4,8H,(H,9,10);/q;;+1/p-1",C10H12N4O3.C7H6O3.Na,,,,,,CELKBRMLNUNCIP-UHFFFAOYSA-M,,,,,,,,,,,
100.032.649,235-930-8,13051-49-5,2-chloro-3-oxopentyl acetate,2-chloro-3-oxopentyl acetate,CCC(=O)C(Cl)COC(=O)C,CCC(=O)C(Cl)COC(=O)C,"InChI=1/C7H11ClO3/c1-3-7(10)6(8)4-11-5(2)9/h6H,3-4H2,1-2H3",C7H11ClO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1592,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.649,NEERBGKJWHFFGT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.651,235-932-9,13051-61-1,"trans-2,3-divinyloxirane","2,3-divinyloxirane",C=C[C@H]1O[C@@H]1C=C,C=C[C@H]1O[C@@H]1C=C,"InChI=1/C6H8O/c1-3-5-6(4-2)7-5/h3-6H,1-2H2",C6H8O,,,,,,WVLXAFYCRVAZSM-PHDIDXHHSA-N,,,,,,,,,,,
100.032.653,235-935-5,13052-09-0,"1,1,4,4-tetramethylbutane-1,4-diyl bis(2-ethylperoxyhexanoate)","2,5-dimethylhexane-2,5-diyl bis[2-(ethylperoxy)hexanoate]",CCCCC(OOCC)C(=O)OC(C)(C)CCC(C)(C)OC(=O)C(CCCC)OOCC,CCCCC(OOCC)C(=O)OC(C)(C)CCC(C)(C)OC(=O)C(CCCC)OOCC,"InChI=1/C24H46O8/c1-9-13-15-19(31-27-11-3)21(25)29-23(5,6)17-18-24(7,8)30-22(26)20(16-14-10-2)32-28-12-4/h19-20H,9-18H2,1-8H3",C24H46O6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11958,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.653,MKHAXODHPYLOKS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.654,235-936-0,13052-11-4,[2-hydroxy-3-[(2-methyl-1-oxoallyl)oxy]propyl]trimethylammonium chloride,"2-hydroxy-3-(methacryloyloxy)-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CC(=C)C(=O)OCC(O)C[N+](C)(C)C,[Cl-].CC(=C)C(=O)OCC(O)C[N+](C)(C)C,"InChI=1/C10H20NO3.ClH/c1-8(2)10(13)14-7-9(12)6-11(3,4)5;/h9,12H,1,6-7H2,2-5H3;1H/q+1;/p-1",C10H20NO3.Cl,,,,,,LOPVAWVHGAWUPS-UHFFFAOYSA-M,,,,,,,,,,,
100.032.655,235-937-6,13052-13-6,[2-hydroxy-3-[(1-oxoallyl)oxy]propyl]trimethylammonium chloride,"3-(acryloyloxy)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)CC(O)COC(=O)C=C,[Cl-].C[N+](C)(C)CC(O)COC(=O)C=C,"InChI=1/C9H18NO3.ClH/c1-5-9(12)13-7-8(11)6-10(2,3)4;/h5,8,11H,1,6-7H2,2-4H3;1H/q+1;/p-1",C9H18NO3.Cl,,,,,,NIBPGNKODUOZIW-UHFFFAOYSA-M,,,,,,,,,,,
100.032.660,235-942-3,13055-82-8,"7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride","7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CN1C(=O)N(C)c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2C1=O,Cl.CN1C(=O)N(C)c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2C1=O,"InChI=1/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H",C18H23N5O5.ClH,,,,,,XSFWDHONRBZVEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.024,239-643-9,15585-70-3,Bibenzonium bromide,"2-(1,2-diphenylethoxy)-N,N,N-trimethylethanaminium bromide",[Br-].C[N+](C)(C)CCOC(Cc1ccccc1)c2ccccc2,[Br-].C[N+](C)(C)CCOC(Cc1ccccc1)c2ccccc2,"InChI=1/C19H26NO.BrH/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17;/h4-13,19H,14-16H2,1-3H3;1H/q+1;/p-1",C19H26NO.Br,,,,,,APVMLVNTOWQOHL-UHFFFAOYSA-M,,,,,,,,,,,
100.036.031,239-651-2,15589-31-8,"3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2,3,3-tetramethylcyclopropanecarboxylate","3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2,3,3-tetramethylcyclopropanecarboxylate",CC1=C(CC=C)C(=O)CC1OC(=O)C2C(C)(C)C2(C)C,CC1=C(CC=C)C(=O)CC1OC(=O)C2C(C)(C)C2(C)C,"InChI=1/C17H24O3/c1-7-8-11-10(2)13(9-12(11)18)20-15(19)14-16(3,4)17(14,5)6/h7,13-14H,1,8-9H2,2-6H3",C17H24O3,,,,,,MIZYPRIEDMSCAC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.033,239-653-3,15590-00-8,Etamocycline,"N,N'-{ethane-1,2-diylbis[(methylimino)methylene]}bis[4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide]",CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN(C)CCN(C)CNC(=O)C4=C(O)[C@H]([C@@H]5C[C@H]6C(=C(O)[C@]5(O)C4=O)C(=O)c7c(O)cccc7[C@@]6(C)O)N(C)C)C(=O)c8c(O)cccc8[C@@]3(C)O,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN(C)CCN(C)CNC(=O)C4=C(O)[C@H]([C@@H]5C[C@H]6C(=C(O)[C@]5(O)C4=O)C(=O)c7c(O)cccc7[C@@]6(C)O)N(C)C)C(=O)c8c(O)cccc8[C@@]3(C)O,"InChI=1/C50H60N6O16/c1-47(69)21-11-9-13-27(57)29(21)37(59)31-23(47)17-25-35(53(3)4)39(61)33(43(65)49(25,71)41(31)63)45(67)51-19-55(7)15-16-56(8)20-52-46(68)34-40(62)36(54(5)6)26-18-24-32(42(64)50(26,72)44(34)66)38(60)30-22(48(24,2)70)12-10-14-28(30)58/h9-14,23-26,35-36,57-58,61-64,69-72H,15-20H2,1-8H3,(H,51,67)(H,52,68)",C50H60N6O16,,,,,,BZUKDLNEDCDORL-ULRSWZSCSA-N,,,,,,,,,,,
100.036.036,239-657-5,15590-62-2,Lithium 2-ethylhexanoate,lithium 2-ethylhexanoate,[Li+].CCCCC(CC)C(=O)[O-],[Li+].CCCCC(CC)C(=O)[O-],"InChI=1/C8H16O2.Li/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",C8H16O2.Li,,,,,,MAZKNBXUMANNDL-UHFFFAOYSA-M,,,,,,,,,,,
100.037.006,240-723-0,16676-29-2,"(5a)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride","17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one hydrochloride",Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O,Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O,"InChI=1/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H",C20H23NO4.ClH,,,,,,RHBRMCOKKKZVRY-ITLPAZOVSA-N,,,,,,,,,,,
100.037.008,240-725-1,16677-06-8,Dodec-7-en-1-yl acetate,dodec-7-en-1-yl acetate,CC(=O)OCCCCCCC=CCCCC,CC(=O)OCCCCCCC=CCCCC,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3",C14H26O2,,,,,,MUZGQHWTRUVFLG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.019,240-737-7,16693-68-8,Trisodium hydrogen [(butylimino)bis(methylene)]bisphosphonate,trisodium hydrogen [(butylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.3Na/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-4",C6H17NO6P2.3Na,,,,,,ONHQYNUOSTXPAQ-UHFFFAOYSA-J,,,,,,,,,,,
100.037.024,240-742-4,16695-54-8,"4-(1,3-dioxobutyl)morpholine",4-morpholin-4-yl-4-oxobutan-2-one,CC(=O)CC(=O)N1CCOCC1,CC(=O)CC(=O)N1CCOCC1,"InChI=1/C8H13NO3/c1-7(10)6-8(11)9-2-4-12-5-3-9/h2-6H2,1H3",C8H13NO3,,,,,,RKPILPRSNWEZJV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.027,240-746-6,16698-16-1,"Disodium 4-(acetylamino)-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-acetamido-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CC(=O)Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C12H11NO8S2.2Na/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10;;/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2",C12H11NO8S2.2Na,,,,,,CJRBREZYNHILPS-UHFFFAOYSA-L,,,,,,,,,,,
100.037.029,240-748-7,16698-52-5,"Sodium 3,4-dihydro-2H-pyran-2-carboxylate","sodium 3,4-dihydro-2H-pyran-2-carboxylate",[Na+].[O-]C(=O)C1CCC=CO1,[Na+].[O-]C(=O)C1CCC=CO1,"InChI=1/C6H8O3.Na/c7-6(8)5-3-1-2-4-9-5;/h2,4-5H,1,3H2,(H,7,8);/q;+1/p-1",C6H8O3.Na,,,,,,QLCKHRQGBNMBPB-UHFFFAOYSA-M,,,,,,,,,,,
100.037.031,240-750-8,16700-94-0,Zinc hexadecyl phosphate,zinc hexadecyl phosphate,[Zn+2].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[Zn+2].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C16H35O4P.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+2/p-2",C16H35O4P.Zn,,,,,,KUPGJMJHAFGISS-UHFFFAOYSA-L,,,,,,,,,,,
100.031.001,234-114-9,10538-51-9,"2',5'-dimethoxycinnamic acid","3-(2,5-dimethoxyphenyl)acrylic acid",COc1ccc(OC)c(C=CC(=O)O)c1,COc1ccc(OC)c(C=CC(=O)O)c1,"InChI=1/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H,12,13)",C11H12O4,,,,,,JPQWWJZORKTMIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.002,234-115-4,10538-58-6,Methyl 12a-hydroxy-3-oxo-5ß-cholan-24-oate,methyl 12-hydroxy-3-oxocholan-24-oate,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-22,27H,5-14H2,1-4H3",C25H40O4,,,,,,LOJPGRHPJBGMMF-CNZSLQMUSA-N,,,,,,,,,,,
100.031.003,234-117-5,10539-19-2,Moxaverine,"1-benzyl-3-ethyl-6,7-dimethoxyisoquinoline",CCc1cc2cc(OC)c(OC)cc2c(Cc3ccccc3)n1,CCc1cc2cc(OC)c(OC)cc2c(Cc3ccccc3)n1,"InChI=1/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3",C20H21NO2,,,,,,MYCMTMIGRXJNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.004,234-118-0,10540-29-1,Tamoxifen,"2-[4-(1,2-diphenylbut-1-en-1-yl)phenoxy]-N,N-dimethylethanamine",CN(C)CCOc1ccc(cc1)C(c2ccccc2)=C(CC)c3ccccc3,CN(C)CCOc1ccc(cc1)C(c2ccccc2)=C(CC)c3ccccc3,"InChI=1/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3",C26H29NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14348,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.004,NKANXQFJJICGDU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.010,234-124-3,10543-60-9,"1,3,4,6-tetraacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,4,6-tetraacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",CC(=O)N1C2C(N(C(=O)C)C(=O)N2C(=O)C)N(C(=O)C)C1=O,CC(=O)N1C2C(N(C(=O)C)C(=O)N2C(=O)C)N(C(=O)C)C1=O,"InChI=1/C12H14N4O6/c1-5(17)13-9-10(15(7(3)19)11(13)21)16(8(4)20)12(22)14(9)6(2)18/h9-10H,1-4H3",C12H14N4O6,,,,,,KIHGYZTVBURVBA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.018,234-133-2,10550-58-0,"(R)-3-(hexadecyloxy)propane-1,2-diol","3-(hexadecyloxy)propane-1,2-diol",CCCCCCCCCCCCCCCCOC[C@H](O)CO,CCCCCCCCCCCCCCCCOC[C@H](O)CO,"InChI=1/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3",C19H40O3,,,,,,OOWQBDFWEXAXPB-LJQANCHMSA-N,,,,,,,,,,,
100.031.020,234-135-3,10551-32-3,"4'-methyl[1,1'-biphenyl]-2,5-diol","4'-methylbiphenyl-2,5-diol",Cc1ccc(cc1)c2cc(O)ccc2O,Cc1ccc(cc1)c2cc(O)ccc2O,"InChI=1/C13H12O2/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8,14-15H,1H3",C13H12O2,,,,,,BRDIEXWCAJNNQS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.027,234-143-7,10558-11-9,4-hydroxy-3-(2-pyridylazo)naphthalenesulphonic acid,4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonic acid,OS(=O)(=O)c2cc(N=Nc1ccccn1)c(O)c3ccccc23,OS(=O)(=O)c2cc(N=Nc1ccccn1)c(O)c3ccccc23,"InChI=1/C15H11N3O4S/c19-15-11-6-2-1-5-10(11)13(23(20,21)22)9-12(15)17-18-14-7-3-4-8-16-14/h1-9,19H,(H,20,21,22)",C15H11N3O4S,,,,,,XXJXWDMBBICRAW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.810,237-207-2,13692-15-4,"(2,4-dichlorophenyl)oxirane","2-(2,4-dichlorophenyl)oxirane",Clc1ccc(C2CO2)c(Cl)c1,Clc1ccc(C2CO2)c(Cl)c1,"InChI=1/C8H6Cl2O/c9-5-1-2-6(7(10)3-5)8-4-11-8/h1-3,8H,4H2",C8H6Cl2O,,,,,,ZRMLHFOKDLDAIB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.817,237-215-6,13693-11-3,Titanium bis(sulphate),titanium bis(sulphate),[Ti+2].[Ti+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Ti+2].[Ti+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2H2O4S.2Ti/c2*1-5(2,3)4;;/h2*(H2,1,2,3,4);;/q;;2*+2/p-4",H2O4S.1/2Ti,,,,,,QTFICGAQNGYFIK-UHFFFAOYSA-J,,,,,,,,,,,
100.033.820,237-218-2,13697-84-2,"2,5-dihydro-3-methylanisole","1-methoxy-5-methylcyclohexa-1,4-diene",COC1=CCC=C(C)C1,COC1=CCC=C(C)C1,"InChI=1/C8H12O/c1-7-4-3-5-8(6-7)9-2/h4-5H,3,6H2,1-2H3",C8H12O,,,,,,JHXCCDQIOYRZIM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.822,237-220-3,13698-55-0,Lead fumarate,lead(4+) dibut-2-enedioate,[Pb].OC(=O)/C=C/C(O)=O,[Pb].OC(=O)/C=C/C(O)=O,"InChI=1/C4H4O4.Pb.2H/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/q;+4;;/rC4H4O4.H2Pb/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);1H2/q;+4",C4H4O4.xPb,,,,,,DECKLSNUXCKNBM-TYYBGVCCSA-N,,,,,,,,,,,
100.033.833,237-232-9,13701-90-1,Thallium tribromide,thallium tribromide,[Br-].[Br-].[Br-].[Tl+].[Tl+].[Tl+],[Br-].[Br-].[Br-].[Tl+].[Tl+].[Tl+],InChI=1/3BrH.3Tl/h3*1H;;;/q;;;3*+1/p-3,Br3Tl,,,,,,VASNUQGYCCEIEB-UHFFFAOYSA-K,,,,,,,,,,,
100.033.834,237-233-4,13702-39-1,Bismuth triiodate,bismuth(3+) triiodate,[BiH3+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[BiH3+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Bi.3HIO3.3H/c;3*2-1(3)4;;;/h;3*(H,2,3,4);;;/q+3;;;;;;/p-3/rBiH3.3HIO3/c;3*2-1(3)4/h1H3;3*(H,2,3,4)/q+3;;;/p-3",Bi.3HIO3,,,,,,IPALNRJDDHDHCA-UHFFFAOYSA-K,,,,,,,,,,,
100.033.839,237-239-7,13705-05-0,"2,4-dichloro-6-(methylthio)-1,3,5-triazine","2,4-dichloro-6-(methylsulfanyl)-1,3,5-triazine",CSc1nc(Cl)nc(Cl)n1,CSc1nc(Cl)nc(Cl)n1,InChI=1/C4H3Cl2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3,C4H3Cl2N3S,,,,,,MWPZLWRHHPWTFS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.842,237-242-3,13706-89-3,"Heptane-3,4-dione","heptane-3,4-dione",CCCC(=O)C(=O)CC,CCCC(=O)C(=O)CC,"InChI=1/C7H12O2/c1-3-5-7(9)6(8)4-2/h3-5H2,1-2H3",C7H12O2,,,,,,LBCCPKFTHIBIKU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.845,237-246-5,13708-12-8,5-methylquinoxaline,5-methylquinoxaline,Cc1cccc2nccnc12,Cc1cccc2nccnc12,"InChI=1/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3",C9H8N2,,,,,,CQLOYHZZZCWHSG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.849,237-250-7,13709-31-4,Trifluorooxovanadium,trifluoro(oxo)vanadium,F[V](=O)(F)F,F[V](=O)(F)F,"InChI=1/3FH.O.V/h3*1H;;/q;;;;+3/p-3/rF3OV/c1-5(2,3)4",F3OV,,,,,,FXGIDXZUDLFPLD-UHFFFAOYSA-K,,,,,,,,,,,
100.031.626,234-802-9,12034-34-3,Disodium titanate,-,[Na+].[Na+].[O-][Ti]([O-])([O-])[O-],[Na+].[Na+].[O-][Ti]([O-])([O-])[O-],"InChI=1/2Na.4O.Ti/q2*+1;4*-1;/r2Na.O4Ti/c;;1-5(2,3)4/q2*+1;-4",Na.1/2O3Ti,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14763,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.626,CJXZKGMGYXHPMR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.630,234-807-6,12034-55-8,"Nickel, compound with niobium (1:1)",nickel - niobium (1:1),[Ni].[Nb],[Ni].[Nb],InChI=1/Nb.Ni/q2*+2,Nb.Ni,,,,,,FEBJSGQWYJIENF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.648,234-827-5,12035-52-8,"Antimony, compound with nickel (1:1)",-,[Ni].[Sb],[Ni].[Sb],InChI=1/Ni.Sb/q+2;+3,Ni.Sb,,,,,,TUFZVLHKHTYNTN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.915,240-623-7,16556-55-1,"1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl]ethan-1-one","1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)cyclohex-3-en-1-yl]ethanone",CC(C)CCOC1=CC(C)(C)C(C(=O)C)C(C)(C)C1,CC(C)CCOC1=CC(C)(C)C(C(=O)C)C(C)(C)C1,"InChI=1/C17H30O2/c1-12(2)8-9-19-14-10-16(4,5)15(13(3)18)17(6,7)11-14/h10,12,15H,8-9,11H2,1-7H3",C17H30O2,,,,,,UCXHCWOVLRUIMX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.916,240-624-2,16557-94-1,Ammonium 8-chlorotetradecafluorooctanoate,"ammonium 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanoate",[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,"InChI=1/C8HClF14O2.H3N/c9-8(22,23)7(20,21)6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(24)25;/h(H,24,25);1H3",C8HClF14O2.H3N,,,,,,VQMQRMGKPBLNMC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.917,240-625-8,16558-32-0,4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-3-chloro-N-(2-chloroethyl)benzenesulphonamide,4-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)-3-chloro-N-(2-chloroethyl)benzenesulfonamide,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCO)CCO)S(=O)(=O)NCCCl,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCO)CCO)S(=O)(=O)NCCCl,"InChI=1/C19H24Cl2N4O4S/c1-14-12-15(25(8-10-26)9-11-27)2-4-18(14)23-24-19-5-3-16(13-17(19)21)30(28,29)22-7-6-20/h2-5,12-13,22,26-27H,6-11H2,1H3",C19H24Cl2N4O4S,,,,,,IQJLIBJIBFXYCA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.920,240-628-4,16568-46-0,"4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O,OS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O,"InChI=1/C16H13ClN4O4S/c1-10-15(19-18-14-5-3-2-4-13(14)17)16(22)21(20-10)11-6-8-12(9-7-11)26(23,24)25/h2-9,15H,1H3,(H,23,24,25)",C16H13ClN4O4S,,,,,,UYWILNNNPUQBFM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.276,238-820-8,14760-14-6,"2,2-dimethyl-1,3-dioxa-2-silacyclohexan-5-ol","2,2-dimethyl-1,3,2-dioxasilinan-5-ol",C[Si]1(C)OCC(O)CO1,C[Si]1(C)OCC(O)CO1,"InChI=1/C5H12O3Si/c1-9(2)7-3-5(6)4-8-9/h5-6H,3-4H2,1-2H3",C5H12O3Si,,,,,,PXKUKOZEWCQWRX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.291,238-837-0,14769-74-5,Dexamisole,"6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole",C1CN2C[C@H](N=C2S1)c3ccccc3,C1CN2C[C@H](N=C2S1)c3ccccc3,"InChI=1/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2",C11H12N2S,,,,,,HLFSDGLLUJUHTE-JTQLQIEISA-N,,,,,,,,,,,
100.035.294,238-840-7,14774-35-7,"5,6-dihydro-2H-pyran-3-methanol","5,6-dihydro-2H-pyran-3-ylmethanol",OCC1=CCCOC1,OCC1=CCCOC1,"InChI=1/C6H10O2/c7-4-6-2-1-3-8-5-6/h2,7H,1,3-5H2",C6H10O2,,,,,,LIDHMZQWCDKALW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.296,238-842-8,14777-25-4,10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine dimalonate,malonic acid - 10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine (2:1),CN1CCN(CCCN2c3ccccc3Sc4ccccc24)CC1.OC(=O)CC(=O)O.OC(=O)CC(=O)O,CN1CCN(CCCN2c3ccccc3Sc4ccccc24)CC1.OC(=O)CC(=O)O.OC(=O)CC(=O)O,"InChI=1/C20H25N3S.2C3H4O4/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;2*4-2(5)1-3(6)7/h2-5,7-10H,6,11-16H2,1H3;2*1H2,(H,4,5)(H,6,7)",C20H25N3S.2C3H4O4,,,,,,LXOKLRDDOBCJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.302,238-849-6,14779-78-3,Pentyl 4-(dimethylamino)benzoate,pentyl 4-(dimethylamino)benzoate,CCCCCOC(=O)c1ccc(cc1)N(C)C,CCCCCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C14H21NO2/c1-4-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2)3/h7-10H,4-6,11H2,1-3H3",C14H21NO2,,,,,,LXTZRIBXKVRLOA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.309,238-856-4,14796-43-1,1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]propan-1-one phosphate,1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one phosphate,OP(O)(=O)O.CCC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1,OP(O)(=O)O.CCC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1,"InChI=1/C20H24N2OS.H3O4P/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;1-5(2,3)4/h5-6,8-11,14H,4,7,12-13H2,1-3H3;(H3,1,2,3,4)",C20H24N2OS.H3O4P,,,,,,WUPBGYIUUDMXNM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.292,235-535-0,12265-05-3,"Aluminium, compound with ytterbium (2:1)",aluminum - ytterbium (2:1),[AlH3].[AlH3].[Yb],[AlH3].[AlH3].[Yb],InChI=1/2Al.Yb.8H/q2*+3;;;;;;;;;/r2AlH3.H2Yb/h2*1H3;1H2/q2*+3;,Al.Yb,,,,,,ZKOJEWDVBOARRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.312,235-557-0,12286-65-6,Calcium bis[3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulphonate],calcium bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate),[Ca+2].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2.CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2,[Ca+2].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2.CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2,"InChI=1/2C16H14N4O7S.Ca/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2",C16H14N4O7S.1/2Ca,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5775,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.312,VWDVUHHOWAILLC-UHFFFAOYSA-L,,,,,,,,,,,
100.036.845,240-546-9,16489-90-0,"6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline","6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline",CCOc1ccc2NC(C)(C)CC(C)c2c1,CCOc1ccc2NC(C)(C)CC(C)c2c1,"InChI=1/C14H21NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-8,10,15H,5,9H2,1-4H3",C14H21NO,,,,,,YLDDCEXDGNXCIO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.847,240-549-5,16490-80-5,3-(benzylamino)propionamide,N~3~-benzyl-beta-alaninamide,NC(=O)CCNCc1ccccc1,NC(=O)CCNCc1ccccc1,"InChI=1/C10H14N2O/c11-10(13)6-7-12-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H2,11,13)",C10H14N2O,,,,,,GGJZFUWYCGSBCO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.849,240-551-6,16491-24-0,"Hexa-2,4-dienyl isobutyrate","hexa-2,4-dien-1-yl 2-methylpropanoate",CC=CC=CCOC(=O)C(C)C,CC=CC=CCOC(=O)C(C)C,"InChI=1/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3",C10H16O2,,,,,,CVYBRMSQMLJGOI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.852,240-554-2,16491-37-5,4-methylcyclohexyl butyrate,4-methylcyclohexyl butyrate,CCCC(=O)OC1CCC(C)CC1,CCCC(=O)OC1CCC(C)CC1,"InChI=1/C11H20O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,QKCCZGILHFUAHN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.854,240-556-3,16491-63-7,Allyl cyclohexanecarboxylate,allyl cyclohexanecarboxylate,C=CCOC(=O)C1CCCCC1,C=CCOC(=O)C1CCCCC1,"InChI=1/C10H16O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2,9H,1,3-8H2",C10H16O2,,,,,,AIPJCMMALQPRMK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.855,240-557-9,16493-04-2,3-butoxycyclohex-2-en-1-one,3-butoxycyclohex-2-en-1-one,CCCCOC1=CC(=O)CCC1,CCCCOC1=CC(=O)CCC1,"InChI=1/C10H16O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h8H,2-7H2,1H3",C10H16O2,,,,,,HQFGJBVERCJECK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.859,240-562-6,16496-29-0,Bis(2-methylvaleryl) peroxide,bis(1-methylbutyl)peroxyanhydride,CCCC(C)C(=O)OOC(=O)C(C)CCC,CCCC(C)C(=O)OOC(=O)C(C)CCC,"InChI=1/C12H22O4/c1-5-7-9(3)11(13)15-16-12(14)10(4)8-6-2/h9-10H,5-8H2,1-4H3",C12H22O4,,,,,,RNXKQMBYNVOCNC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.045,239-666-4,15593-51-8,Dilithium selenite,dilithium selenite,[Li+].[Li+].[O-][Se](=O)[O-],[Li+].[Li+].[O-][Se](=O)[O-],"InChI=1/2Li.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",H2O3Se.2Li,,,,,,SMVMOIXTOKYXAN-UHFFFAOYSA-L,,,,,,,,,,,
100.036.052,239-674-8,15595-35-4,L-arginine hydrochloride,L-arginine hydrochloride,Cl.N[C@@H](CCCNC(=N)N)C(=O)O,Cl.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H",C6H14N4O2.xClH,,,,,,KWTQSFXGGICVPE-WCCKRBBISA-N,,,,,,,,,,,
100.036.056,239-679-5,15599-39-0,Noxytiolin,1-(hydroxymethyl)-3-methylthiourea,CNC(=S)NCO,CNC(=S)NCO,"InChI=1/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)",C3H8N2OS,,,,,,JLMHZVYLAQPMOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.065,239-688-4,15609-81-1,Ammonium manganese phosphate,ammonium manganese(2+) phosphate,[NH4+].[Mn+2].[O-]P(=O)([O-])[O-],[NH4+].[Mn+2].[O-]P(=O)([O-])[O-],"InChI=1/Mn.H3N.H3O4P/c;;1-5(2,3)4/h;1H3;(H3,1,2,3,4)/q+2;;/p-2",H3N.H3O4P.Mn,,,,,,JLUGKDWGQPNDGX-UHFFFAOYSA-L,,,,,,,,,,,
100.033.038,236-357-6,13320-53-1,Chloroethylisobutylaluminium,chloro(ethyl)isobutylaluminum,CC[Al](Cl)CC(C)C,CC[Al](Cl)CC(C)C,"InChI=1/C4H9.C2H5.Al.ClH/c1-4(2)3;1-2;;/h4H,1H2,2-3H3;1H2,2H3;;1H/q;;+1;/p-1/rC6H14AlCl/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3",C6H14AlCl,,,,,,MDUJPDJIABVTQO-UHFFFAOYSA-M,,,,,,,,,,,
100.033.046,236-366-5,13325-57-0,5-(anthraquinon-1-ylazo)barbituric acid,"5-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione",O=C4NC(=O)NC(=O)C4N=Nc3cccc2C(=O)c1ccccc1C(=O)c23,O=C4NC(=O)NC(=O)C4N=Nc3cccc2C(=O)c1ccccc1C(=O)c23,"InChI=1/C18H10N4O5/c23-14-8-4-1-2-5-9(8)15(24)12-10(14)6-3-7-11(12)21-22-13-16(25)19-18(27)20-17(13)26/h1-7,13H,(H2,19,20,25,26,27)",C18H10N4O5,,,,,,MBOXEZSDSMZDMX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.047,236-367-0,13327-27-0,6-methylpyridazin-3(2H)-one,6-methylpyridazin-3(2H)-one,CC1=NNC(=O)C=C1,CC1=NNC(=O)C=C1,"InChI=1/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)",C5H6N2O,,,,,,QZWIXLPWMGHDDD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.049,236-369-1,13327-36-1,5-benzylidenefuran-2(5H)-one,5-benzylidenefuran-2(5H)-one,O=C2\\C=C/C(=Cc1ccccc1)O2,O=C2\C=C/C(=Cc1ccccc1)O2,InChI=1/C11H8O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-8H,C11H8O2,,,,,,DMWDECPSZZVGPO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.054,236-374-9,13329-67-4,Sodium 12-hydroxyoctadecanoate,sodium 12-hydroxyoctadecanoate,[Na+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Na+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O3.Na/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1",C18H36O3.Na,,,,,,NTVDGBKMGBRCKB-UHFFFAOYSA-M,,,,,,,,,,,
100.033.067,236-389-0,13339-01-0,1-(2-ethoxyphenyl)piperazine,1-(2-ethoxyphenyl)piperazine,CCOc1ccccc1N2CCNCC2,CCOc1ccccc1N2CCNCC2,"InChI=1/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3",C12H18N2O,,,,,,FBQIUSDQWOLCNY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.070,236-392-7,13343-98-1,Butyl 2-methoxyethyl ether,1-(2-methoxyethoxy)butane,CCCCOCCOC,CCCCOCCOC,"InChI=1/C7H16O2/c1-3-4-5-9-7-6-8-2/h3-7H2,1-2H3",C7H16O2,,,,,,XDFQEFFBRPGSMC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.076,236-399-5,13350-41-9,5-[(3-ethylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-3-phenyl-2-thioxoimidazolidin-1-ylacetic acid,"{5-[2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl}acetic acid",OC(=O)CN4C(=S)N(c1ccccc1)C(=O)C4=CC=C3Oc2ccccc2N3CC,OC(=O)CN4C(=S)N(c1ccccc1)C(=O)C4=CC=C3Oc2ccccc2N3CC,"InChI=1/C22H19N3O4S/c1-2-23-16-10-6-7-11-18(16)29-19(23)13-12-17-21(28)25(15-8-4-3-5-9-15)22(30)24(17)14-20(26)27/h3-13H,2,14H2,1H3,(H,26,27)",C22H19N3O4S,,,,,,MTTSAJTTXKHHJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.692,239-278-5,15231-78-4,"2,2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione","2,2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione",CC1(C)OC(=O)C(C(=O)O1)c2ccccc2,CC1(C)OC(=O)C(C(=O)O1)c2ccccc2,"InChI=1/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3",C12H12O4,,,,,,NTUAHNQWHPQAMB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.694,239-280-6,15232-76-5,Oct-3-yne,oct-3-yne,CCCCC#CCC,CCCCC#CCC,"InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-5,7H2,1-2H3",C8H14,,,,,,UDEISTCPVNLKRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.697,239-283-2,15238-00-3,Cobalt diiodide,cobalt(2+) diiodide,[Co+2].[I-].[I-],[Co+2].[I-].[I-],InChI=1/Co.2HI/h;2*1H/q+2;;/p-2,CoI2,,,,,,AVWLPUQJODERGA-UHFFFAOYSA-L,,,,,,,,,,,
100.035.698,239-284-8,15240-24-1,Copper(2+) salicylate,copper(2+) bis(2-hydroxybenzoate),[Cu].O=C(O)C=1/C=C\\C=C/C=1O,[Cu].O=C(O)C=1/C=C\C=C/C=1O,"InChI=1/C7H6O3.Cu/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1",C7H6O3.xCu,,,,,,AVGKWJXJXQLDSC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.700,239-286-9,15242-96-3,Tetrachloro-µ-hydroxy(µ-stearato)dichromium,-,CCCCCCCCCCCCCCCCCC1=[O+][Cr](Cl)(Cl)O[Cr](Cl)(Cl)O1,CCCCCCCCCCCCCCCCCC1=[O+][Cr](Cl)(Cl)O[Cr](Cl)(Cl)O1,"InChI=1/C18H36O2.4ClH.2Cr.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2-17H2,1H3,(H,19,20);4*1H;;;/q;;;;;2*+5;/p-5/rC18H35Cl4Cr2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-23(19,20)27-24(21,22)26-18/h2-17H2,1H3/q+5",C18H36Cl4Cr2O3,,,,,,YQESIKBYTQRSDQ-UHFFFAOYSA-I,,,,,,,,,,,
100.031.033,234-150-5,10563-70-9,"3-[10,10-dimethyl-9(10H)-anthrylidene]-N,N-dimethylpropylamine hydrochloride","3-(10,10-dimethylanthracen-9(10H)-ylidene)-N,N-dimethylpropan-1-amine",CN(C)CCC=C1c2ccccc2C(C)(C)c3ccccc13,CN(C)CCC=C1c2ccccc2C(C)(C)c3ccccc13,"InChI=1/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3",C21H25N.ClH,,,,,,GWWLWDURRGNSRS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.035,234-152-6,10567-69-8,Barium iodate,barium diiodate,[Ba+2].[O-]I(=O)=O.[O-]I(=O)=O,[Ba+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Ba.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",Ba.2HIO3,,,,,,GASILTKHXWGKMG-UHFFFAOYSA-L,,,,,,,,,,,
100.031.039,234-156-8,10571-59-2,Nicoclonate,1-(4-chlorophenyl)-2-methylpropyl nicotinate,CC(C)C(OC(=O)c1cccnc1)c2ccc(Cl)cc2,CC(C)C(OC(=O)c1cccnc1)c2ccc(Cl)cc2,"InChI=1/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3",C16H16ClNO2,,,,,,XPPXHQUWVYMTDM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.045,234-163-6,10575-25-4,4-(diethylamino)-2-butyn-1-ol,4-(diethylamino)but-2-yn-1-ol,CCN(CC)CC#CCO,CCN(CC)CC#CCO,"InChI=1/C8H15NO/c1-3-9(4-2)7-5-6-8-10/h10H,3-4,7-8H2,1-2H3",C8H15NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6199,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.045,ACGZBRWTWOZSFU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.946,235-153-4,12088-04-9,Tricyclopentadienyldysprosium,"tricyclopenta-1,3-dien-1-yldysprosium",C1C=CC=C1[Dy](C2=CC=CC2)C3=CC=CC3,C1C=CC=C1[Dy](C2=CC=CC2)C3=CC=CC3,"InChI=1/3C5H5.Dy/c3*1-2-4-5-3-1;/h3*1-3H,4H2;/rC15H15Dy/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h1-7,9,11H,8,10,12H2",C15H15Dy,,,,,,QRZGRXNKXUPIMD-UHFFFAOYSA-N,,,,,,,,,,,
100.031.954,235-162-3,12107-76-5,Dibutylammonium tetrafluoroborate(1-),N-butylbutan-1-aminium tetrafluoroborate,CCCC[NH2+]CCCC.F[B-](F)(F)F,CCCC[NH2+]CCCC.F[B-](F)(F)F,"InChI=1/C8H19N.BF4/c1-3-5-7-9-8-6-4-2;2-1(3,4)5/h9H,3-8H2,1-2H3;/q;-1/p+1",C8H19N.BF4.H,,,,,,CAZKFGXFAVXKIF-UHFFFAOYSA-O,,,,,,,,,,,
100.031.958,235-167-0,12110-21-3,Tetrapropylammonium hexafluorophosphate,"N,N,N-tripropylpropan-1-aminium hexafluorophosphate",CCC[N+](CCC)(CCC)CCC.F[P-](F)(F)(F)(F)F,CCC[N+](CCC)(CCC)CCC.F[P-](F)(F)(F)(F)F,"InChI=1/C12H28N.F6P/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7(2,3,4,5)6/h5-12H2,1-4H3;/q+1;-1",C12H28N.F6P,,,,,,GSYVZOSIIKEIBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.965,235-174-9,12116-05-1,Trimethyloxonium hexafluorophosphate(1-),trimethyloxonium hexafluorophosphate,C[O+](C)C.F[P-](F)(F)(F)(F)F,C[O+](C)C.F[P-](F)(F)(F)(F)F,"InChI=1/C3H9O.F6P/c1-4(2)3;1-7(2,3,4,5)6/h1-3H3;/q+1;-1",C3H9O.F6P,,,,,,GARJBAQVHHSPGF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.972,235-182-2,12124-83-3,"5-(2-bromoallyl)-5-sec-pentyl-1H,3H,5H-pyrimidine-2,4,6-trione","5-(2-bromoprop-2-en-1-yl)-5-(1-ethylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCC(CC)C1(CC(=C)Br)C(=O)NC(=O)NC1=O,CCC(CC)C1(CC(=C)Br)C(=O)NC(=O)NC1=O,"InChI=1/C12H17BrN2O3/c1-4-8(5-2)12(6-7(3)13)9(16)14-11(18)15-10(12)17/h8H,3-6H2,1-2H3,(H2,14,15,16,17,18)",C12H17BrN2O3,,,,,,ICBPTPKCMPQQIT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.977,235-188-5,12125-08-5,Diammonium hexachloroosmate,diammonium hexachloroosmate(2-),[NH4+].[NH4+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2H3N.Os/h6*1H;2*1H3;/q;;;;;;;;+6/p-4/rCl6Os.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/p+2",Cl6Os.2H4N,,,,,,SRBXXQDKBKTWOC-UHFFFAOYSA-J,,,,,,,,,,,
100.041.024,245-143-1,22632-06-0,Bupicomide,5-butylpyridine-2-carboxamide,CCCCc1ccc(nc1)C(=O)N,CCCCc1ccc(nc1)C(=O)N,"InChI=1/C10H14N2O/c1-2-3-4-8-5-6-9(10(11)13)12-7-8/h5-7H,2-4H2,1H3,(H2,11,13)",C10H14N2O,,,,,,VKSPIPWLHGKJQO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.028,245-147-3,22661-87-6,Methylguanidine hydrochloride,1-methylguanidine hydrochloride,Cl.CNC(=N)N,Cl.CNC(=N)N,"InChI=1/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H",C2H7N3.xClH,,,,,,VJQCNCOGZPSOQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.038,245-158-3,22690-27-3,"1,2,3,4,5,6,7,8,9,10-decahydro-5,9-methanobenzocycloocten-11-one","1,2,3,4,5,6,7,8,9,10-decahydro-5,9-methanobenzo[8]annulen-11-one",O=C1C2CCCC1C3=C(CCCC3)C2,O=C1C2CCCC1C3=C(CCCC3)C2,"InChI=1/C13H18O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h10,12H,1-8H2",C14H20O,,,,,,FTBHJFJPRKLLAX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.039,245-159-9,22690-73-9,"Diphosphoric acid, ammonium salt",ammonium trihydrogen diphosphate,[NH4+].OP(=O)(O)OP(=O)(O)[O-],[NH4+].OP(=O)(O)OP(=O)(O)[O-],"InChI=1/H3N.H4O7P2/c;1-8(2,3)7-9(4,5)6/h1H3;(H2,1,2,3)(H2,4,5,6)",H4O7P2.xH3N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16400,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.039,IYNIYQPKWZYHRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.045,245-166-7,22708-14-1,Pentyl o-anisate,pentyl 2-methoxybenzoate,CCCCCOC(=O)c1ccccc1OC,CCCCCOC(=O)c1ccccc1OC,"InChI=1/C13H18O3/c1-3-4-7-10-16-13(14)11-8-5-6-9-12(11)15-2/h5-6,8-9H,3-4,7,10H2,1-2H3",C13H18O3,,,,,,TYLMQMJLOUNOGK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.048,245-169-3,22711-23-5,(p-chlorophenyl)phenylethanedione,"1-(4-chlorophenyl)-2-phenylethane-1,2-dione",Clc1ccc(cc1)C(=O)C(=O)c2ccccc2,Clc1ccc(cc1)C(=O)C(=O)c2ccccc2,InChI=1/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H,C14H9ClO2,,,,,,QDCKVAZDINMMHO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.921,240-630-5,16571-53-2,1-methyl-3-[2-(4-pyridyl)ethyl]-1H-indole,1-methyl-3-(2-pyridin-4-ylethyl)-1H-indole,Cn1cc(CCc2ccncc2)c3ccccc13,Cn1cc(CCc2ccncc2)c3ccccc13,"InChI=1/C16H16N2/c1-18-12-14(15-4-2-3-5-16(15)18)7-6-13-8-10-17-11-9-13/h2-5,8-12H,6-7H2,1H3",C16H16N2,,,,,,KBVLDCQJRKDAMF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.926,240-635-2,16576-96-8,Benzyldimethyl(pentadecyl)ammonium chloride,"N-benzyl-N,N-dimethylpentadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C24H44N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(2,3)23-24-20-17-16-18-21-24;/h16-18,20-21H,4-15,19,22-23H2,1-3H3;1H/q+1;/p-1",C24H44N.Cl,,,,,,XRHGZAYWUIJBOD-UHFFFAOYSA-M,,,,,,,,,,,
100.036.944,240-655-1,16596-97-7,"Tetrasodium 2-[4-[2-[4-[[2-methyl-4-(7-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)phenyl]azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonate","tetrasodium 2-{4-[2-(4-{[2-methyl-4-(7-sulfonato-2H-naphtho[1,2-d][1,2,3]triazol-2-yl)phenyl]diazenyl}-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2ccc3nn(nc3c2cc1)c9ccc(N=Nc8ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)n6nc7c5ccccc5c(cc7n6)S([O-])(=O)=O)c(c8)S([O-])(=O)=O)c(C)c9,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2ccc3nn(nc3c2cc1)c9ccc(N=Nc8ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)n6nc7c5ccccc5c(cc7n6)S([O-])(=O)=O)c(c8)S([O-])(=O)=O)c(C)c9,"InChI=1/C41H28N8O12S4.4Na/c1-23-18-28(48-44-35-16-10-26-19-30(62(50,51)52)14-15-31(26)40(35)46-48)13-17-34(23)43-42-27-11-8-24(37(20-27)63(53,54)55)6-7-25-9-12-29(21-38(25)64(56,57)58)49-45-36-22-39(65(59,60)61)32-4-2-3-5-33(32)41(36)47-49;;;;/h2-22H,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4",C41H28N8O12S4.4Na,,,,,,VJLOCFYWROIYIL-FRKVPWKGSA-J,,,,,,,,,,,
100.036.946,240-657-2,16604-45-8,"2,2-diphenoxyethyl(dimethyl)ammonium fumarate (1:1)",-,C[NH+](C)CC(Oc1ccccc1)Oc2ccccc2.[O-]C(=O)\\C=C\\C(=O)[O-],C[NH+](C)CC(Oc1ccccc1)Oc2ccccc2.[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C16H19NO2.C4H4O4/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15;5-3(6)1-2-4(7)8/h3-12,16H,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1",C16H19NO2.C4H4O4,,,,,,CSQUJXBMSDQIKM-WLHGVMLRSA-M,,,,,,,,,,,
100.036.947,240-658-8,16606-46-5,"1,2-dihydro-1-phenylnaphthalene","1-phenyl-1,2-dihydronaphthalene",C1C=Cc2ccccc2C1c3ccccc3,C1C=Cc2ccccc2C1c3ccccc3,"InChI=1/C16H14/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-11,16H,12H2",C16H14,,,,,,MEUOGBCTOLDRCM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.948,240-659-3,16610-44-9,2-[(2-methylphenyl)amino]benzoic acid,2-[(2-methylphenyl)amino]benzoic acid,Cc1ccccc1Nc2ccccc2C(=O)O,Cc1ccccc1Nc2ccccc2C(=O)O,"InChI=1/C14H13NO2/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14(16)17/h2-9,15H,1H3,(H,16,17)",C14H13NO2,,,,,,WAEMHISTVIYWOY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.954,240-666-1,16618-09-0,"4-(4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthryl)phenyl ethyl carbonate","4-(4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)phenyl ethyl carbonate",CCOC(=O)Oc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,CCOC(=O)Oc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)ccc(N)c4C(=O)c3c2O,"InChI=1/C23H18N2O7/c1-2-31-23(30)32-11-5-3-10(4-6-11)12-9-14(25)17-19(20(12)27)22(29)16-13(24)7-8-15(26)18(16)21(17)28/h3-9,26-27H,2,24-25H2,1H3",C23H18N2O7,,,,,,YVTLJQCBKZMKOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.955,240-667-7,16618-85-2,"4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-one","4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanone",CC1C2CC(CC2C3CCC(=O)CC3)C1(C)C,CC1C2CC(CC2C3CCC(=O)CC3)C1(C)C,"InChI=1/C16H26O/c1-10-14-8-12(16(10,2)3)9-15(14)11-4-6-13(17)7-5-11/h10-12,14-15H,4-9H2,1-3H3",C16H26O,,,,,,JDCNLAJKUCCOHO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.958,240-670-3,16621-37-7,1-(ethylthio)propan-2-ol,1-(ethylsulfanyl)propan-2-ol,CCSCC(C)O,CCSCC(C)O,"InChI=1/C5H12OS/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3",C5H12OS,,,,,,GPZJYTNYOFOTAI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.599,242-475-9,18643-84-0,Dimethyl 2-chloroterephthalate,dimethyl 2-chloroterephthalate,COC(=O)c1ccc(C(=O)OC)c(Cl)c1,COC(=O)c1ccc(C(=O)OC)c(Cl)c1,"InChI=1/C10H9ClO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3",C10H9ClO4,,,,,,FUFFCPIFRICMFH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.603,242-480-6,18656-21-8,"1-deoxy-1-(methylamino)-D-glucitol a,5-diacetamido-2,4,6-triiodo-m-toluate","3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1)",CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C12H11I3N2O4.C7H17NO5/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);4-13H,2-3H2,1H3",C12H11I3N2O4.C7H17NO5,,,,,,UYIPQECISAQMIU-WZTVWXICSA-N,,,,,,,,,,,
100.038.607,242-484-8,18664-39-6,p-cyanocinnamic acid,3-(4-cyanophenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(cc1)C#N,OC(=O)\C=C\c1ccc(cc1)C#N,"InChI=1/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)",C10H7NO2,,,,,,USVZQKYCNGNRBV-AATRIKPKSA-N,,,,,,,,,,,
100.038.615,242-493-7,18675-17-7,"(,5E)-2,6-dimethyl-3,5-octadien-2-ol","2,6-dimethylocta-3,5-dien-2-ol",CCC(=CC=CC(C)(C)O)C,CCC(=CC=CC(C)(C)O)C,"InChI=1/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h6-8,11H,5H2,1-4H3",C10H18O,,,,,,BOGURUDKGWMRHN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.861,240-564-7,16497-41-9,"N,N'-diphenylphthaldiamide","N,N'-diphenylphthalamide",O=C(Nc1ccccc1)c2ccccc2C(=O)Nc3ccccc3,O=C(Nc1ccccc1)c2ccccc2C(=O)Nc3ccccc3,"InChI=1/C20H16N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-14H,(H,21,23)(H,22,24)",C20H16N2O2,,,,,,ZYACJWRVLBPZNG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.862,240-565-2,16498-20-7,"2,3-dihydro-6-nitro-1,4-benzodioxin","6-nitro-2,3-dihydro-1,4-benzodioxine",[O-][N+](=O)c1ccc2OCCOc2c1,[O-][N+](=O)c1ccc2OCCOc2c1,"InChI=1/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2",C8H7NO4,,,,,,MQSGCURTKWHBRX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.863,240-566-8,16499-88-0,3-butoxypropylamine,3-butoxypropan-1-amine,CCCCOCCCN,CCCCOCCCN,"InChI=1/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3",C7H17NO,,,,,,LPUBRQWGZPPVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.865,240-568-9,16503-46-1,2-bromo-4-phenylbutyric acid,2-bromo-4-phenylbutanoic acid,OC(=O)C(Br)CCc1ccccc1,OC(=O)C(Br)CCc1ccccc1,"InChI=1/C10H11BrO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)",C10H11BrO2,,,,,,DJQJKQPODCNTSE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.871,240-575-7,16509-46-9,(R)-linalyl acetate,"1,5-dimethyl-1-vinylhex-4-en-1-yl acetate",CC(=CCC[C@@](C)(OC(=O)C)C=C)C,CC(=CCC[C@@](C)(OC(=O)C)C=C)C,"InChI=1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",C12H20O2,,,,,,UWKAYLJWKGQEPM-LBPRGKRZSA-N,,,,,,,,,,,
100.031.891,235-093-9,12068-19-8,"Disodium 17-(nonylphenoxy)-3,6,9,12,15-pentaoxaheptadecan-1-yl phosphate","disodium 17-(2-nonylphenoxy)-3,6,9,12,15-pentaoxaheptadec-1-yl phosphate",[Na+].[Na+].CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)([O-])[O-],[Na+].[Na+].CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)([O-])[O-],"InChI=1/C27H49O10P.2Na/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)36-24-22-34-20-18-32-16-14-31-15-17-33-19-21-35-23-25-37-38(28,29)30;;/h9-10,12-13H,2-8,11,14-25H2,1H3,(H2,28,29,30);;/q;2*+1/p-2",C27H49O10P.2Na,,,,,,CJTHWALQKUQIMW-UHFFFAOYSA-L,,,,,,,,,,,
100.045.175,249-708-3,29592-95-8,"Butyric acid, monoester with propane-1,2-diol",2-hydroxypropyl butyrate,CCCC(=O)OCC(C)O,CCCC(=O)OCC(C)O,"InChI=1/C7H14O3/c1-3-4-7(9)10-5-6(2)8/h6,8H,3-5H2,1-2H3",C7H14O3,,,,,,QXXGFEMAULVMST-UHFFFAOYSA-N,,,,,,,,,,,
100.045.186,249-720-9,29598-76-3,"2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]","3-{[3-(dodecylsulfanyl)propanoyl]oxy}-2,2-bis({[3-(dodecylsulfanyl)propanoyl]oxy}methyl)propyl 3-(dodecylsulfanyl)propanoate (non-preferred name)",CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC,CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC,"InChI=1/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3",C65H124O8S4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17388,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.186,VSVVZZQIUJXYQA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.189,249-724-0,29605-88-7,(±)-2-allyl-4-hydroxy-3-methylcyclopent-2-en-1-one,2-allyl-4-hydroxy-3-methylcyclopent-2-en-1-one,CC1=C(CC=C)C(=O)CC1O,CC1=C(CC=C)C(=O)CC1O,"InChI=1/C9H12O2/c1-3-4-7-6(2)8(10)5-9(7)11/h3,8,10H,1,4-5H2,2H3",C9H12O2,,,,,,KZYVOZABVXLALY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.192,249-727-7,29611-03-8,"[1S-(1a,6aß,9aß)]-2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one","1-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one",COc1cc2O[C@@H]3OC=C[C@H]3c2c4OC(=O)C5=C(CC[C@H]5O)c14,COc1cc2O[C@@H]3OC=C[C@H]3c2c4OC(=O)C5=C(CC[C@H]5O)c14,"InChI=1/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3",C17H14O6,,,,,,WYIWLDSPNDMZIT-BTKFHORUSA-N,,,,,,,,,,,
100.045.195,249-730-3,29619-64-5,Methyl 2-methyldecanoate,methyl 2-methyldecanoate,CCCCCCCCC(C)C(=O)OC,CCCCCCCCC(C)C(=O)OC,"InChI=1/C12H24O2/c1-4-5-6-7-8-9-10-11(2)12(13)14-3/h11H,4-10H2,1-3H3",C12H24O2,,,,,,ZWSMRUGTQTWTII-UHFFFAOYSA-N,,,,,,,,,,,
100.045.199,249-735-0,29633-66-7,"N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-(cyclohexylamino)-4-methoxyphenyl]acetamide","N-{2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(cyclohexylamino)-4-methoxyphenyl}acetamide",[O-][N+](=O)c3cc(cc(C#N)c3N=Nc2cc(OC)c(NC1CCCCC1)cc2NC(C)=O)[N+]([O-])=O,[O-][N+](=O)c3cc(cc(C#N)c3N=Nc2cc(OC)c(NC1CCCCC1)cc2NC(C)=O)[N+]([O-])=O,"InChI=1/C22H23N7O6/c1-13(30)24-17-10-19(25-15-6-4-3-5-7-15)21(35-2)11-18(17)26-27-22-14(12-23)8-16(28(31)32)9-20(22)29(33)34/h8-11,15,25H,3-7H2,1-2H3,(H,24,30)",C22H23N7O6,,,,,,LVVFYTOJHMICTN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.200,249-736-6,29635-81-2,(S)-5-(1-methylethyl)-3-phenyl-2-thioxoimidazolidin-4-one,5-isopropyl-3-phenyl-2-thioxoimidazolidin-4-one,CC(C)[C@@H]1NC(=S)N(C1=O)c2ccccc2,CC(C)[C@@H]1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C12H14N2OS/c1-8(2)10-11(15)14(12(16)13-10)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,16)",C12H14N2OS,,,,,,HEIKHJHSVLQGGN-JTQLQIEISA-N,,,,,,,,,,,
100.045.213,249-750-2,29649-48-7,"N-[5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]-2-[(4-nitrophenyl)azo]phenyl]acetamide","N-(5-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl](ethyl)amino}-2-[(4-nitrophenyl)diazenyl]phenyl)acetamide",[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2NC(C)=O)N(CC)CCN3C(=O)CCC3=O,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2NC(C)=O)N(CC)CCN3C(=O)CCC3=O,"InChI=1/C22H24N6O5/c1-3-26(12-13-27-21(30)10-11-22(27)31)18-8-9-19(20(14-18)23-15(2)29)25-24-16-4-6-17(7-5-16)28(32)33/h4-9,14H,3,10-13H2,1-2H3,(H,23,29)",C22H24N6O5,,,,,,CZHGDRKVHVTOQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.708,239-295-8,15257-25-7,Dibutylbis(methacryloyloxy)stannane,dibutyl[bis(methacryloyloxy)]stannane,CCCC[Sn](CCCC)(OC(=O)C(=C)C)OC(=O)C(=C)C,CCCC[Sn](CCCC)(OC(=O)C(=C)C)OC(=O)C(=C)C,"InChI=1/2C4H6O2.2C4H9.Sn/c2*1-3(2)4(5)6;2*1-3-4-2;/h2*1H2,2H3,(H,5,6);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC16H28O4Sn/c1-7-9-11-21(12-10-8-2,19-15(17)13(3)4)20-16(18)14(5)6/h3,5,7-12H2,1-2,4,6H3",C16H28O4Sn,,,,,,UCJOBZKBTWHHRK-UHFFFAOYSA-L,,,,,,,,,,,
100.035.721,239-310-8,15263-86-2,2-butyl-5-methylcyclopent-2-en-1-one,2-butyl-5-methylcyclopent-2-en-1-one,CCCCC1=CCC(C)C1=O,CCCCC1=CCC(C)C1=O,"InChI=1/C10H16O/c1-3-4-5-9-7-6-8(2)10(9)11/h7-8H,3-6H2,1-2H3",C10H16O,,,,,,PUNCRTDTFWXUBN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.724,239-313-4,15270-08-3,"4-amino-2,5-dimethoxybenzophenone","(4-amino-2,5-dimethoxyphenyl)(phenyl)methanone",COc1cc(C(=O)c2ccccc2)c(OC)cc1N,COc1cc(C(=O)c2ccccc2)c(OC)cc1N,"InChI=1/C15H15NO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3",C15H15NO3,,,,,,XVRYJVBZYWBOFI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.726,239-316-0,15276-91-2,Dicerium trimagnesium dodecanitrate,dicerium trimagnesium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[Ce+3].[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[Ce+3].[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2Ce.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1,Ce.6HNO3.3/2Mg,,,,,,JSYMZLUCQCKVRW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.735,239-326-5,15283-48-4,Ammonium trifluorohydroxyborate(1-),ammonium trifluoro(hydroxy)borate(1-),[NH4+].O[B-](F)(F)F,[NH4+].O[B-](F)(F)F,"InChI=1/BF3HO.H3N/c2-1(3,4)5;/h5H;1H3/q-1;/p+1",BF3HO.H4N,,,,,,ZOSJDBJBIRNIOS-UHFFFAOYSA-O,,,,,,,,,,,
100.032.667,235-950-7,13058-67-8,Lucimycin,"22-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-12-butyl-1,3,26-trihydroxy-10-oxo-6,11,28-trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid",CCCCC1C\\C=C\\C=C\\C=C\\C=C\\C(CC2OC(O)(CC(O)CC3OC3\\C=C\\C(=O)O1)CC(O)C2C(=O)O)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O,CCCCC1C\C=C\C=C\C=C\C=C\C(CC2OC(O)(CC(O)CC3OC3\C=C\C(=O)O1)CC(O)C2C(=O)O)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O,"InChI=1/C36H53NO13/c1-3-4-12-23-13-10-8-6-5-7-9-11-14-24(48-35-33(42)31(37)32(41)21(2)46-35)18-28-30(34(43)44)25(39)20-36(45,50-28)19-22(38)17-27-26(49-27)15-16-29(40)47-23/h5-11,14-16,21-28,30-33,35,38-39,41-42,45H,3-4,12-13,17-20,37H2,1-2H3,(H,43,44)",C36H53NO13,,,,,,MUAOHYJGHYFDSA-RFUYTIRJSA-N,,,,,,,,,,,
100.032.670,235-953-3,13061-27-3,"Sodium 2,3-dihydro-a-[[4-[[(6-methoxypyridazin-3-yl)amino]sulphonyl]phenyl]amino]-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulphonate","sodium (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)({4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl}amino)methanesulfonate",[Na+].COc1ccc(NS(=O)(=O)c2ccc(NC(C3=C(C)N(C)N(C3=O)c4ccccc4)S(=O)(=O)[O-])cc2)nn1,[Na+].COc1ccc(NS(=O)(=O)c2ccc(NC(C3=C(C)N(C)N(C3=O)c4ccccc4)S(=O)(=O)[O-])cc2)nn1,"InChI=1/C23H24N6O7S2.Na/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19;/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35);/q;+1/p-1",C23H24N6O7S2.Na,,,,,,IHRPVXYWQIAWSC-UHFFFAOYSA-M,,,,,,,,,,,
100.032.676,235-960-1,13065-83-3,2-amino-N-phenyltoluene-4-sulphonamide,3-amino-4-methyl-N-phenylbenzenesulfonamide,Cc1ccc(cc1N)S(=O)(=O)Nc2ccccc2,Cc1ccc(cc1N)S(=O)(=O)Nc2ccccc2,"InChI=1/C13H14N2O2S/c1-10-7-8-12(9-13(10)14)18(16,17)15-11-5-3-2-4-6-11/h2-9,15H,14H2,1H3",C13H14N2O2S,,,,,,SHEKQTHEFWKAIL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.683,235-968-5,13074-31-2,"1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline",COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC,COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC,"InChI=1/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3",C20H25NO4,,,,,,YXWQTVWJNHKSCC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.685,235-970-6,13074-65-2,2-hexylcyclopentan-1-one,2-hexylcyclopentanone,CCCCCCC1CCCC1=O,CCCCCCC1CCCC1=O,"InChI=1/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10H,2-9H2,1H3",C11H20O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17181,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.685,JTHVYOIHZNYRCC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.687,235-972-7,13075-28-0,Thorium(4+) acetate,thorium(4+) tetraacetate,[Th+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Th+4].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/4C2H4O2.Th/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4",C2H4O2.1/4Th,,,,,,FZEQUXXYNBTTLM-UHFFFAOYSA-J,,,,,,,,,,,
100.032.692,235-977-4,13078-21-2,Ethyl (2-methoxyphenoxy)acetate,ethyl (2-methoxyphenoxy)acetate,CCOC(=O)COc1ccccc1OC,CCOC(=O)COc1ccccc1OC,"InChI=1/C11H14O4/c1-3-14-11(12)8-15-10-7-5-4-6-9(10)13-2/h4-7H,3,8H2,1-2H3",C11H14O4,,,,,,BZCGGCRVJFWCIW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.050,245-171-4,22715-45-3,"Ammonium 2,2,3,3,4,4,5,5-octafluorovalerate","ammonium 2,2,3,3,4,4,5,5-octafluoropentanoate",[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,[NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C5H2F8O2.H3N/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15;/h1H,(H,14,15);1H3",C5H2F8O2.H3N,,,,,,QWLWJLXFHBKUQM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.060,245-182-4,22734-04-9,Cyclopent-1-ene-1-acetonitrile,cyclopent-1-en-1-ylacetonitrile,N#CCC1=CCCC1,N#CCC1=CCCC1,"InChI=1/C7H9N/c8-6-5-7-3-1-2-4-7/h3H,1-2,4-5H2",C7H9N,,,,,,LEWVRAMNXUWSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.036,240-756-0,16704-78-2,(3-hydroxy-p-tolyl)urea,1-(3-hydroxy-4-methylphenyl)urea,Cc1ccc(NC(=O)N)cc1O,Cc1ccc(NC(=O)N)cc1O,"InChI=1/C8H10N2O2/c1-5-2-3-6(4-7(5)11)10-8(9)12/h2-4,11H,1H3,(H3,9,10,12)",C8H10N2O2,,,,,,ANLILZBBUVRVRP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.037,240-757-6,16709-50-5,"3,4,5,6,7,8-hexahydrobenzo-2,9-dioxacyclododecin-1,10-dione","3,4,5,6,7,8-hexahydro-2,9-benzodioxacyclododecine-1,10-dione",O=C1OCCCCCCOC(=O)c2ccccc12,O=C1OCCCCCCOC(=O)c2ccccc12,"InChI=1/C14H16O4/c15-13-11-7-3-4-8-12(11)14(16)18-10-6-2-1-5-9-17-13/h3-4,7-8H,1-2,5-6,9-10H2",C14H16O4,,,,,,DGMTZMCDDBNVPU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.041,240-761-8,16713-66-9,"Cyclopentane-1,1-diacetic acid","2,2'-cyclopentane-1,1-diyldiacetic acid",OC(=O)CC1(CC(=O)O)CCCC1,OC(=O)CC1(CC(=O)O)CCCC1,"InChI=1/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)",C9H14O4,,,,,,FWPVKDFOUXHOKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.043,240-763-9,16714-41-3,Tetrakis(4-methylphenyl) orthosilicate,tetrakis(4-methylphenyl) orthosilicate,Cc1ccc(O[Si](Oc2ccc(C)cc2)(Oc3ccc(C)cc3)Oc4ccc(C)cc4)cc1,Cc1ccc(O[Si](Oc2ccc(C)cc2)(Oc3ccc(C)cc3)Oc4ccc(C)cc4)cc1,"InChI=1/C28H28O4Si/c1-21-5-13-25(14-6-21)29-33(30-26-15-7-22(2)8-16-26,31-27-17-9-23(3)10-18-27)32-28-19-11-24(4)12-20-28/h5-20H,1-4H3",C28H28O4Si,,,,,,QVRHUEBADCVHJB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.048,240-769-1,16715-59-6,Calcium bis(2-ethoxycarbonyl-1-methylvinyl oxide),bis[1-(ethoxycarbonyl)-2-oxopropyl]calcium,CCOC(=O)C([Ca]C(C(=O)C)C(=O)OCC)C(=O)C,CCOC(=O)C([Ca]C(C(=O)C)C(=O)OCC)C(=O)C,"InChI=1/2C6H9O3.Ca/c2*1-3-9-6(8)4-5(2)7;/h2*4H,3H2,1-2H3;/rC12H18CaO6/c1-5-18-11(16)9(7(3)14)13-10(8(4)15)12(17)19-6-2/h9-10H,5-6H2,1-4H3",C12H18CaO6,,,,,,IDYDCJJGUSUALQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.049,240-770-7,16715-79-0,"2',4'-dimethoxyacetoacetanilide","N-[2,4-bis(methoxyacetyl)phenyl]acetamide",COCC(=O)c1ccc(NC(=O)C)c(c1)C(=O)COC,COCC(=O)c1ccc(NC(=O)C)c(c1)C(=O)COC,"InChI=1/C14H17NO5/c1-9(16)15-12-5-4-10(13(17)7-19-2)6-11(12)14(18)8-20-3/h4-6H,7-8H2,1-3H3,(H,15,16)",C12H15NO4,,,,,,KDEAVAMDFIIEPO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.057,240-779-6,16724-63-3,Dihexadecylamine,N-hexadecylhexadecan-1-amine,CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC,"InChI=1/C32H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3",C32H67N,,,,,,NQYKSVOHDVVDOR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.058,240-780-1,16725-53-4,(Z)-tetradec-9-enyl acetate,tetradec-9-en-1-yl acetate,CCCC\\C=C/CCCCCCCCOC(=O)C,CCCC\C=C/CCCCCCCCOC(=O)C,"InChI=1/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7H,3-5,8-15H2,1-2H3",C16H30O2,,,,,,XXPBOEBNDHAAQH-SREVYHEPSA-N,,,,,,,,,,,
100.037.061,240-783-8,16726-25-3,cis-decahydro-1-methylquinoline,1-methyldecahydroquinoline,CN1CCC[C@@H]2CCCC[C@H]12,CN1CCC[C@@H]2CCCC[C@H]12,"InChI=1/C10H19N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h9-10H,2-8H2,1H3",C10H19N,,,,,,AAARTTJTRNAYHQ-UWVGGRQHSA-N,,,,,,,,,,,
100.037.066,240-789-0,16728-49-7,3-(octyloxy)propiononitrile,3-(octyloxy)propanenitrile,CCCCCCCCOCCC#N,CCCCCCCCOCCC#N,"InChI=1/C11H21NO/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-8,10-11H2,1H3",C11H21NO,,,,,,JUBCYGQFVNMTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.069,240-792-7,16728-59-9,3-propoxypropylamine,3-propoxypropan-1-amine,CCCOCCCN,CCCOCCCN,"InChI=1/C6H15NO/c1-2-5-8-6-3-4-7/h2-7H2,1H3",C6H15NO,,,,,,UTOXFQVLOTVLSD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.071,240-794-8,16728-84-0,[(4-methylphenyl)amino]acetonitrile,[(4-methylphenyl)amino]acetonitrile,Cc1ccc(NCC#N)cc1,Cc1ccc(NCC#N)cc1,"InChI=1/C9H10N2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5,11H,7H2,1H3",C9H10N2,,,,,,YDENRXHJQSFQKP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.076,240-800-9,16732-86-8,Cholest-4-ene,cholest-4-ene,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11,19-20,22-25H,6-10,12-18H2,1-5H3",C27H46,,,,,,YWHWYTRNKBGSRE-HKQCOZBKSA-N,,,,,,,,,,,
100.037.077,240-801-4,16737-83-0,4-methyl-5-pentadecylresorcinol,"4-methyl-5-pentadecylbenzene-1,3-diol",CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C,CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C,"InChI=1/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)18-22(24)19(20)2/h17-18,23-24H,3-16H2,1-2H3",C22H38O2,,,,,,CRYTZHPAQMYMOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.617,242-495-8,18675-27-9,cis-3-(isopropyl)-6-methylcyclohex-2-en-1-ol,3-isopropyl-6-methylcyclohex-2-en-1-ol,CC(C)C1=C[C@@H](O)[C@@H](C)CC1,CC(C)C1=C[C@@H](O)[C@@H](C)CC1,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8,10-11H,4-5H2,1-3H3",C10H18O,,,,,,WEJSIMPWEOUMJB-WCBMZHEXSA-N,,,,,,,,,,,
100.038.621,242-500-3,18683-91-5,Ambroxol,"4-[(2-amino-3,5-dibromobenzyl)amino]cyclohexanol",Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2,Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2,"InChI=1/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2",C13H18Br2N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18815,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.621,JBDGDEWWOUBZPM-XYPYZODXSA-N,,,,,,,,,,,
100.038.750,242-642-6,18877-64-0,(R)-[3-carboxy-2-[(1-oxohexadecyl)oxy]propyl]trimethylammonium chloride,"3-carboxy-N,N,N-trimethyl-2-(palmitoyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,"InChI=1/C23H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4;/h21H,5-20H2,1-4H3;1H",C23H46NO4.Cl,,,,,,GAMKNLFIHBMGQT-ZMBIFBSDSA-N,,,,,,,,,,,
100.038.756,242-648-9,18888-09-0,"Tetramenthol, tetraester with silicic acid",tetrakis(2-isopropyl-5-methylcyclohexyl) orthosilicate,CC(C)C1CCC(C)CC1O[Si](OC2CC(C)CCC2C(C)C)(OC3CC(C)CCC3C(C)C)OC4CC(C)CCC4C(C)C,CC(C)C1CCC(C)CC1O[Si](OC2CC(C)CCC2C(C)C)(OC3CC(C)CCC3C(C)C)OC4CC(C)CCC4C(C)C,"InChI=1/C40H76O4Si/c1-25(2)33-17-13-29(9)21-37(33)41-45(42-38-22-30(10)14-18-34(38)26(3)4,43-39-23-31(11)15-19-35(39)27(5)6)44-40-24-32(12)16-20-36(40)28(7)8/h25-40H,13-24H2,1-12H3",C40H76O4Si,,,,,,FFGFCZRBQGSAJV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.760,242-653-6,18905-29-8,2-amino-6H-purin-6-one 3-oxide,2-amino-6H-purin-6-one 3-oxide,NC1=NC(=O)C2=NC=NC2=[N+]1[O-],NC1=NC(=O)C2=NC=NC2=[N+]1[O-],"InChI=1/C5H3N5O2/c6-5-9-4(11)2-3(10(5)12)8-1-7-2/h1H,(H2,6,9,11)",C5H5N5O2,,,,,,XDNQOZJUAKIHHK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.771,242-665-1,18912-80-6,2-[2-(2-methylpropoxy)ethoxy]ethanol,2-(2-isobutoxyethoxy)ethanol,CC(C)COCCOCCO,CC(C)COCCOCCO,"InChI=1/C8H18O3/c1-8(2)7-11-6-5-10-4-3-9/h8-9H,3-7H2,1-2H3",C8H18O3,,,,,,YJTIFIMHZHDNQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.857,237-259-6,13709-59-6,Thorium tetrafluoride,thorium tetrafluoride,[F-].[F-].[F-].[F-].[Th+2].[Th+2],[F-].[F-].[F-].[F-].[Th+2].[Th+2],InChI=1/4FH.2Th/h4*1H;;/q;;;;2*+2/p-4,F4Th,,,,,,NIRQKYWIUUKNCA-UHFFFAOYSA-J,,,,,,,,,,,
100.033.865,237-268-5,13716-45-5,Diethyl trimethylsilyl phosphite,diethyl trimethylsilyl phosphite,CCOP(OCC)O[Si](C)(C)C,CCOP(OCC)O[Si](C)(C)C,"InChI=1/C7H19O3PSi/c1-6-8-11(9-7-2)10-12(3,4)5/h6-7H2,1-5H3",C7H19O3PSi,,,,,,ATRMOIYYLVRRBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.377,238-931-1,14861-16-6,Phenethyl ß-D-galactopyranoside,2-phenylethyl beta-D-galactopyranoside,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2",C14H20O6,,,,,,MLRIJUWUQTVDQE-MBJXGIAVSA-N,,,,,,,,,,,
100.035.394,238-950-5,14876-25-6,2-(4-amino-N-ethyl-m-toluidino)ethanol nitrate,2-[(4-amino-3-methylphenyl)(ethyl)amino]ethanol nitrate (salt),CCN(CCO)c1ccc(N)c(C)c1.O[N+](=O)[O-],CCN(CCO)c1ccc(N)c(C)c1.O[N+](=O)[O-],"InChI=1/C11H18N2O.HNO3/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;2-1(3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H,2,3,4)",C11H18N2O.xHNO3,,,,,,XJHFXNXVOUMVLF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.399,238-955-2,14883-46-6,Dizinc hexacyanoferrate,dizinc hexacyanoferrate,[Zn+2].[Zn+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,[Zn+2].[Zn+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Fe.2Zn/c6*1-2;;;/q;;;;;;;2*+2/rC6FeN6.2Zn/c8-1-7(2-9,3-10,4-11,5-12)6-13;;/q;2*+2",C6FeN6.2Zn,,,,,,WAKSVJXHODCXTR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.694,234-877-8,12038-62-9,"Antimony, compound with rubidium (1:3)",-,[RbH].[RbH].[RbH].[Sb],[RbH].[RbH].[RbH].[Sb],InChI=1/3Rb.Sb.3H/q3*+1;+3;;;/r3HRb.Sb/h3*1H;/q3*+1;+3,Rb.Sb,,,,,,BMCCPHHZASZZAO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.706,234-890-9,12039-33-7,"Antimony, compound with thulium (1:1)",-,[Tm].[Sb],[Tm].[Sb],InChI=1/Sb.Tm/q2*+3,Sb.Tm,,,,,,VCCCJBSYUAHWIU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.707,234-891-4,12039-34-8,"Antimony, compound with ytterbium (1:1)",-,[Yb].[Sb],[Yb].[Sb],InChI=1/Sb.Yb.2H/q+3;;;/rSb.H2Yb/h;1H2/q+3;,Sb.Yb,,,,,,FDBSVFTUIOAZCD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.968,240-681-3,16630-61-8,"1,1-diethoxy-3-(methylthio)propane","1,1-diethoxy-3-(methylsulfanyl)propane",CCOC(CCSC)OCC,CCOC(CCSC)OCC,"InChI=1/C8H18O2S/c1-4-9-8(10-5-2)6-7-11-3/h8H,4-7H2,1-3H3",C8H18O2S,,,,,,FKAZTVDSOBDTFU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.970,240-683-4,16630-66-3,Methyl (methylthio)acetate,methyl (methylsulfanyl)acetate,COC(=O)CSC,COC(=O)CSC,"InChI=1/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3",C4H8O2S,,,,,,HZYCAKGEXXKCDM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.971,240-685-5,16630-91-4,2-methylheptan-1-al,2-methylheptanal,CCCCCC(C)C=O,CCCCCC(C)C=O,"InChI=1/C8H16O/c1-3-4-5-6-8(2)7-9/h7-8H,3-6H2,1-2H3",C8H16O,,,,,,DHEKCFIOOSCJRW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.215,249-752-3,29656-52-8,(ethylbenzyl)hexadecyldimethylammonium chloride,"N-(2-ethylbenzyl)-N,N-dimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1CC,[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1CC,"InChI=1/C27H50N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-28(3,4)25-27-23-20-19-22-26(27)6-2;/h19-20,22-23H,5-18,21,24-25H2,1-4H3;1H/q+1;/p-1",C27H50N.Cl,,,,,,JVEFNBPMJVTNHW-UHFFFAOYSA-M,,,,,,,,,,,
100.035.314,238-862-7,14799-82-7,(cyclopropylmethyl)triphenylphosphonium bromide,(cyclopropylmethyl)(triphenyl)phosphonium bromide,[Br-].C(C1CC1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].C(C1CC1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C22H22P.BrH/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,19H,16-18H2;1H/q+1;/p-1",C22H22P.Br,,,,,,WFQSHRSBITUSIB-UHFFFAOYSA-M,,,,,,,,,,,
100.035.317,238-865-3,14802-03-0,2-ethylhexyl hydrogen -2-ethylhexylphosphonate,2-ethylhexyl hydrogen (2-ethylhexyl)phosphonate,CCCCC(CC)COP(=O)(O)CC(CC)CCCC,CCCCC(CC)COP(=O)(O)CC(CC)CCCC,"InChI=1/C16H35O3P/c1-5-9-11-15(7-3)13-19-20(17,18)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)",C16H35O3P,,,,,,ZDFBXXSHBTVQMB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.319,238-867-4,14802-44-9,(E)-3-[2-(4-pyridyl)vinyl]pyridine,3-(2-pyridin-4-ylvinyl)pyridine,C(=C\\c1cccnc1)/c2ccncc2,C(=C\c1cccnc1)/c2ccncc2,InChI=1/C12H10N2/c1-2-12(10-14-7-1)4-3-11-5-8-13-9-6-11/h1-10H,C12H10N2,,,,,,LELJBILQTLAIMQ-ONEGZZNKSA-N,,,,,,,,,,,
100.035.321,238-870-0,14804-61-6,1-(1-bromoethyl)-4-chlorobenzene,1-(1-bromoethyl)-4-chlorobenzene,CC(Br)c1ccc(Cl)cc1,CC(Br)c1ccc(Cl)cc1,"InChI=1/C8H8BrCl/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,1H3",C8H8BrCl,,,,,,JYQIUMNHRQYUHC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.325,238-874-2,14806-72-5,Tris(2-hydroxyethyl)ammonium acetate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium acetate",CC(=O)[O-].OCC[NH+](CCO)CCO,CC(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C6H15NO3.C2H4O2/c8-4-1-7(2-5-9)3-6-10;1-2(3)4/h8-10H,1-6H2;1H3,(H,3,4)",C6H15NO3.C2H4O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14918,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.325,UPCXAARSWVHVLY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.330,238-880-5,14811-92-8,"(R)-2,3-dihydroxypropyl stearate","2,3-dihydroxypropyl stearate",CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO,"InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3",C21H42O4,,,,,,VBICKXHEKHSIBG-HXUWFJFHSA-N,,,,,,,,,,,
100.035.336,238-886-8,14815-87-3,Methyl p-(trichloromethyl)benzoate,methyl 4-(trichloromethyl)benzoate,COC(=O)c1ccc(cc1)C(Cl)(Cl)Cl,COC(=O)c1ccc(cc1)C(Cl)(Cl)Cl,"InChI=1/C9H7Cl3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3",C9H7Cl3O2,,,,,,PWFPDRYHJFGZDV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.337,238-887-3,14816-18-3,Phoxim,phoxim,CCOP(=S)(ON=C(C#N)c1ccccc1)OCC,CCOP(=S)(ON=C(C#N)c1ccccc1)OCC,"InChI=1/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3",C12H15N2O3PS,,,,,,ATROHALUCMTWTB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.342,238-893-6,14825-72-0,"N,N-diallylcyclohexylamine hydrochloride","N,N-diallylcyclohexanamine hydrochloride",Cl.C=CCN(CC=C)C1CCCCC1,Cl.C=CCN(CC=C)C1CCCCC1,"InChI=1/C12H21N.ClH/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;/h3-4,12H,1-2,5-11H2;1H",C12H21N.ClH,,,,,,LXKZWRPDOSDEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.349,238-900-2,14838-15-4,"(R*,S*)-(±)-a-(1-aminoethyl)benzyl alcohol",2-amino-1-phenylpropan-1-ol,C[C@@H](N)[C@@H](O)c1ccccc1,C[C@@H](N)[C@@H](O)c1ccccc1,"InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3",C9H13NO,,,,,,DLNKOYKMWOXYQA-VXNVDRBHSA-N,,,,,,,,,,,
100.035.353,238-904-4,14844-29-2,Tin tartrate,"tin(4+) bis(2,3-dihydroxysuccinate)",[Sn+4].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],[Sn+4].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/2C4H6O6.Sn/c2*5-1(3(7)8)2(6)4(9)10;/h2*1-2,5-6H,(H,7,8)(H,9,10);/q;;+4/p-4",C4H6O6.xSn,,,,,,MYUGERSVZRUHOX-UHFFFAOYSA-J,,,,,,,,,,,
100.035.358,238-910-7,14848-01-2,4-azidobenzoyl chloride,4-azidobenzoyl chloride,ClC(=O)c1ccc(cc1)N=[N+]=[N-],ClC(=O)c1ccc(cc1)N=[N+]=[N-],InChI=1/C7H4ClN3O/c8-7(12)5-1-3-6(4-2-5)10-11-9/h1-4H,C7H4ClN3O,,,,,,XXKYTTAVNYTVFC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.825,233-921-3,10436-83-6,S-(4-methylphenyl) ethanethioate,S-(4-methylphenyl) ethanethioate,CC(=O)Sc1ccc(C)cc1,CC(=O)Sc1ccc(C)cc1,"InChI=1/C9H10OS/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3",C9H10OS,,,,,,XSQUNQSLEIFIHF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.829,233-926-0,10442-39-4,Tetrabutylammonium cyanide,"N,N,N-tributylbutan-1-aminium cyanide",CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N,CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N,"InChI=1/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1",C16H36N.CN,,,,,,KRRBFUJMQBDDPR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.830,233-927-6,10443-46-6,Pentachlorophenyl oleate,pentachlorophenyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CCCCCCCC\C=C/CCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C24H33Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(30)31-24-22(28)20(26)19(25)21(27)23(24)29/h9-10H,2-8,11-17H2,1H3",C24H33Cl5O2,,,,,,OWGMMEAKLCGGTM-KTKRTIGZSA-N,,,,,,,,,,,
100.032.698,235-984-2,13080-43-8,2-naphthyl propionate,2-naphthyl propionate,CCC(=O)Oc1ccc2ccccc2c1,CCC(=O)Oc1ccc2ccccc2c1,"InChI=1/C13H12O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3",C13H12O2,,,,,,KVMXEPJRCAPKJL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.699,235-985-8,13080-86-9,"4,4'-[isopropylidenebis(4,1-phenyleneoxy)]dianiline","4,4'-[propane-2,2-diylbis(4,1-phenyleneoxy)]dianiline",CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c3ccc(Oc4ccc(N)cc4)cc3,CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c3ccc(Oc4ccc(N)cc4)cc3,"InChI=1/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3",C27H26N2O2,,,,,,KMKWGXGSGPYISJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.700,235-986-3,13080-89-2,"4,4'-[sulphonylbis(4,1-phenyleneoxy)]dianiline","4,4'-[sulfonylbis(4,1-phenyleneoxy)]dianiline",Nc1ccc(Oc2ccc(cc2)S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc1,Nc1ccc(Oc2ccc(cc2)S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc1,"InChI=1/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2",C24H20N2O4S,,,,,,UTDAGHZGKXPRQI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.073,239-697-3,15622-40-9,Diholmium(3+) trisulphate,diholmium(3+) trisulphate,[Ho+3].[Ho+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Ho+3].[Ho+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Ho.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",H2O4S.2/3Ho,,,,,,MKPJADFELTTXAV-UHFFFAOYSA-H,,,,,,,,,,,
100.036.074,239-698-9,15622-42-1,Rhenium triiodide,-,[I-].[I-].[I-].[Re+2],[I-].[I-].[I-].[Re+2],InChI=1/3HI.Re/h3*1H;/q;;;+2/p-3,I3Re,,,,,,MKRCTZCBGMVQLN-UHFFFAOYSA-K,,,,,,,,,,,
100.036.076,239-700-8,15625-56-6,Tetramethylammonium tribromide,tetramethylammonium tribromide,[Br-].[Br-].[Br-].C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C,[Br-].[Br-].[Br-].C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C,"InChI=1/3C4H12N.3BrH/c3*1-5(2,3)4;;;/h3*1-4H3;3*1H/q3*+1;;;/p-3",C4H12N.Br3,,,,,,UNRGTNHGYKAKPK-UHFFFAOYSA-K,,,,,,,,,,,
100.036.091,239-717-0,15647-11-7,"3-aminomethyl-3,5,5-trimethylcyclohexan-1-ol","3-(aminomethyl)-3,5,5-trimethylcyclohexanol",CC1(C)CC(O)CC(C)(CN)C1,CC1(C)CC(O)CC(C)(CN)C1,"InChI=1/C10H21NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8,12H,4-7,11H2,1-3H3",C10H21NO,,,,,,YFEAYNIMJBHJCM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.092,239-718-6,15649-02-2,Ethyl 4-isobutylphenylacetate,ethyl (4-isobutylphenyl)acetate,CCOC(=O)Cc1ccc(CC(C)C)cc1,CCOC(=O)Cc1ccc(CC(C)C)cc1,"InChI=1/C14H20O2/c1-4-16-14(15)10-13-7-5-12(6-8-13)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3",C14H20O2,,,,,,UWULXAQFAQOSSY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.095,239-721-2,15653-40-4,Diammonium neodymium pentanitrate,diammonium neodymium pentanitrate,[NH4+].[NH4+].[Nd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Nd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/5NO3.2H3N.Nd/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2,H3N.5/2HNO3.1/2Nd,,,,,,GHPKFTYZEPZTAF-UHFFFAOYSA-P,,,,,,,,,,,
100.036.103,239-730-1,15659-56-0,Tetrachloro-µ-hydroxy[µ-myristato-O:O')]dichromium,-,CCCCCCCCCCCCCC1O[Cr](Cl)(Cl)O[Cr](Cl)(Cl)O1,CCCCCCCCCCCCCC1O[Cr](Cl)(Cl)O[Cr](Cl)(Cl)O1,"InChI=1/C14H28O2.4ClH.2Cr.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;;/h14H,2-13H2,1H3;4*1H;;;/q-2;;;;;2*+5;/p-4/rC14H28Cl4Cr2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-19(15,16)23-20(17,18)22-14/h14H,2-13H2,1H3/q+4",C14H28Cl4Cr2O3,,,,,,XWYBFSCQOOCRDS-UHFFFAOYSA-J,,,,,,,,,,,
100.036.105,239-732-2,15662-33-6,"6-(1a,5aß,8aß,9-pentahydroxy-7ß-isopropyl-2ß,5ß,8ß-trimethylperhydro-8ba,9-epoxy-5,8-ethanocyclopenta[1,2-b]indenyl) pyrrole-2-carboxylate","4,6,7,8a,8b,9a-hexahydroxy-7-isopropyl-3,6a,9-trimethyldodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate",CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]3(O)[C@@]4(C)C[C@]5(O)O[C@@]6([C@H](O)[C@@H](C)CC[C@]46O)[C@@]3(O)[C@@]15C,CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]3(O)[C@@]4(C)C[C@]5(O)O[C@@]6([C@H](O)[C@@H](C)CC[C@]46O)[C@@]3(O)[C@@]15C,"InChI=1/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3",C25H35NO9,,,,,,JJSYXNQGLHBRRK-SFEDZAPPSA-N,,,,,,,,,,,
100.032.313,235-558-6,12286-66-7,Calcium bis[4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate],calcium bis[4-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate],[Ca+2].O=C(Nc1ccccc1C)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1C)c(c2)[N+]([O-])=O,[Ca+2].O=C(Nc1ccccc1C)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1C)c(c2)[N+]([O-])=O,"InChI=1/2C17H16N4O7S.Ca/c2*1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-14-8-7-12(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2",C17H16N4O7S.1/2Ca,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16092,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.313,HHIWXOJCMNFRBW-UHFFFAOYSA-L,,,,,,,,,,,
100.032.349,235-597-9,12338-02-2,"Bismuth, compound with lithium (1:3)",-,[LiH].[LiH].[LiH].[Bi],[LiH].[LiH].[LiH].[Bi],InChI=1/Bi.3Li.3H/q+3;3*+1;;;/rBi.3HLi/h;3*1H/q+3;3*+1,Bi.Li,,,,,,MTLUGXNIWFCGPR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.352,235-601-9,12344-40-0,Mercury silver iodide,-,[Ag+].[Ag+].[Hg+2].[I-].[I-].[I-].[I-],[Ag+].[Ag+].[Hg+2].[I-].[I-].[I-].[I-],InChI=1/2Ag.Hg.4HI/h;;;4*1H/q2*+1;+2;;;;/p-4,Ag2HgI4,,,,,,YNTJRFXPYRRRKS-UHFFFAOYSA-J,,,,,,,,,,,
100.031.052,234-170-4,10578-66-2,Tris[2-(dodecylthio)ethyl] phosphite,tris[2-(dodecylsulfanyl)ethyl] phosphite,CCCCCCCCCCCCSCCOP(OCCSCCCCCCCCCCCC)OCCSCCCCCCCCCCCC,CCCCCCCCCCCCSCCOP(OCCSCCCCCCCCCCCC)OCCSCCCCCCCCCCCC,"InChI=1/C42H87O3PS3/c1-4-7-10-13-16-19-22-25-28-31-37-47-40-34-43-46(44-35-41-48-38-32-29-26-23-20-17-14-11-8-5-2)45-36-42-49-39-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3",C42H87O3PS3,,,,,,CIJUENFMTAFPEU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.060,234-179-3,10581-12-1,Tetramethylammonium acetate,"N,N,N-trimethylmethanaminium acetate",CC(=O)[O-].C[N+](C)(C)C,CC(=O)[O-].C[N+](C)(C)C,"InChI=1/C4H12N.C2H4O2/c1-5(2,3)4;1-2(3)4/h1-4H3;1H3,(H,3,4)/q+1;/p-1",C4H12N.C2H3O2,,,,,,MRYQZMHVZZSQRT-UHFFFAOYSA-M,,,,,,,,,,,
100.031.066,234-186-1,10584-98-2,"2-ethylhexyl 4,4-dibutyl-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 4,4-dibutyl-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/2C10H20O2S.2C4H9.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4S2Sn/c1-7-13-17-25(11-5)21-31-27(29)23-33-35(19-15-9-3,20-16-10-4)34-24-28(30)32-22-26(12-6)18-14-8-2/h25-26H,7-24H2,1-6H3",C28H56O4S2Sn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2188,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.066,PRIUALOJYOZZOJ-UHFFFAOYSA-L,,,,,,,,,,,
100.031.092,234-214-2,10597-89-4,(R)-2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-D-glucose,2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-D-glucose,CC(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(=O)C)C=O)C(=O)O,CC(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(=O)C)C=O)C(=O)O,"InChI=1/C11H19NO8/c1-5(11(18)19)20-10(9(17)8(16)4-14)7(3-13)12-6(2)15/h3,5,7-10,14,16-17H,4H2,1-2H3,(H,12,15)(H,18,19)",C11H19NO8,,,,,,SOARVSUSWULNDI-GNZQLQHMSA-N,,,,,,,,,,,
100.033.500,236-866-3,13522-16-2,"(2ß,3a,5a,16ß,17ß)-2,16-dipiperidin-1-ylandrosta-3,17 diol","2,16-dipiperidin-1-ylandrostane-3,17-diol",CC12CC(C(O)CC1CCC3C2CCC4(C)C(O)C(CC34)N5CCCCC5)N6CCCCC6,CC12CC(C(O)CC1CCC3C2CCC4(C)C(O)C(CC34)N5CCCCC5)N6CCCCC6,"InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3",C29H50N2O2,,,,,,SMEIBKQQBOLIMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.505,236-872-6,13529-27-6,2-furaldehyde-diethylacetal,2-(diethoxymethyl)furan,CCOC(OCC)c1occc1,CCOC(OCC)c1occc1,"InChI=1/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3",C9H14O3,,,,,,SEILDMUKBMYIEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.514,236-882-0,13531-52-7,"N-(2-aminoethyl)-1,3-propanediamine","N-(2-aminoethyl)propane-1,3-diamine",NCCCNCCN,NCCCNCCN,"InChI=1/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2",C5H15N3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16510,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.514,DTSDBGVDESRKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.519,236-887-8,13533-05-6,2-(2-hydroxyethoxy)ethyl acrylate,2-(2-hydroxyethoxy)ethyl acrylate,OCCOCCOC(=O)C=C,OCCOCCOC(=O)C=C,"InChI=1/C7H12O4/c1-2-7(9)11-6-5-10-4-3-8/h2,8H,1,3-6H2",C7H12O4,,,,,,RWXMAAYKJDQVTF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.522,236-890-4,13534-15-1,Diethyl oximidate,diethyl ethanebis(imidoate),CCOC(=N)C(=N)OCC,CCOC(=N)C(=N)OCC,"InChI=1/C6H12N2O2/c1-3-9-5(7)6(8)10-4-2/h7-8H,3-4H2,1-2H3",C6H12N2O2,,,,,,ASBYNUPWDRZDBR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.536,236-905-4,13537-21-8,Chromium(3+) perchlorate,chromium(3+) triperchlorate,[Cr+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Cr+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Cr/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Cr,,,,,,ZKJMJQVGBCLHFL-UHFFFAOYSA-K,,,,,,,,,,,
100.033.537,236-907-5,13537-22-9,Europium(3+) perchlorate,europium(3+) triperchlorate,[Eu+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Eu+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Eu/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Eu,,,,,,KDBBDPJZIDRZFY-UHFFFAOYSA-K,,,,,,,,,,,
100.033.540,236-910-1,13537-82-1,Ethyl 4-methyl-2-oxocyclohexanecarboxylate,ethyl 4-methyl-2-oxocyclohexanecarboxylate,CCOC(=O)C1CCC(C)CC1=O,CCOC(=O)C1CCC(C)CC1=O,"InChI=1/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7-8H,3-6H2,1-2H3",C10H16O3,,,,,,FFVHHWOJYFCNJP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.067,245-190-8,22741-52-2,"3-(tert-butylamino)propane-1,2-diol","3-(tert-butylamino)propane-1,2-diol",CC(C)(C)NCC(O)CO,CC(C)(C)NCC(O)CO,"InChI=1/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3",C7H17NO2,,,,,,JWBMVCAZXJMSOX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.069,245-192-9,22747-14-4,"Methyl hydrogen sulphate, magnesium salt",-,[Mg+2].COS(=O)(=O)O,[Mg+2].COS(=O)(=O)O,"InChI=1/CH4O4S.Mg/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+2",CH4O4S.1/2Mg,,,,,,HZWVCLLPURWDJN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.091,245-216-8,22781-23-3,Bendiocarb,"2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate",CNC(=O)Oc1cccc2OC(C)(C)Oc12,CNC(=O)Oc1cccc2OC(C)(C)Oc12,"InChI=1/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)",C11H13NO4,,,,,,XEGGRYVFLWGFHI-UHFFFAOYSA-N,Positive,SM847601;UF402401|UF402402|UF402403|UF402404,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,109.0284:167.0703:59.0493;109.0283:81.0334|81.0334:109.0283|167.0702:109.0283:193.0492|167.0702:109.0282:193.0496,CASMI_2016;UFZ,,,,,
100.041.092,245-217-3,22788-19-8,Propylene dilaurate,"propane-1,2-diyl didodecanoate",CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCC,"InChI=1/C27H52O4/c1-4-6-8-10-12-14-16-18-20-22-26(28)30-24-25(3)31-27(29)23-21-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3",C27H52O4,,,,,,WITKSCOBOCOGSC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.977,240-691-8,16645-06-0,"N-hydroxy-N,N-dimethylamine hydrochloride",N-hydroxy-N-methylmethanamine hydrochloride,Cl.CN(C)O,Cl.CN(C)O,"InChI=1/C2H7NO.ClH/c1-3(2)4;/h4H,1-2H3;1H",C2H7NO.ClH,,,,,,HWWVAHCWJLGKLW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.981,240-696-5,16648-69-4,3-[(2-hydroxy-1-methyl-2-phenylethyl)amino]-3'-methoxypropiophenone hydrochloride,3-[(2-hydroxy-1-methyl-2-phenylethyl)amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride,Cl.COc1cccc(c1)C(=O)CCNC(C)C(O)c2ccccc2,Cl.COc1cccc(c1)C(=O)CCNC(C)C(O)c2ccccc2,"InChI=1/C19H23NO3.ClH/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2;/h3-10,13-14,19-20,22H,11-12H2,1-2H3;1H",C19H23NO3.ClH,,,,,,JMUPNNYLJGSMPK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.993,240-708-9,16665-18-2,1-(2-hydroxyethyl)piperidine-4-carboxylic acid,1-(2-hydroxyethyl)piperidine-4-carboxylic acid,OCCN1CCC(CC1)C(=O)O,OCCN1CCC(CC1)C(=O)O,"InChI=1/C8H15NO3/c10-6-5-9-3-1-7(2-4-9)8(11)12/h7,10H,1-6H2,(H,11,12)",C8H15NO3,,,,,,LZJPEZQINGNPQY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.006,235-220-8,12135-23-8,Platinum dihydroxide,platinum(2+) dihydroxide,[OH-].[OH-].[Pt+2],[OH-].[OH-].[Pt+2],InChI=1/2H2O.Pt/h2*1H2;/q;;+2/p-2,H2O2Pt,,,,,,NFOHLBHARAZXFQ-UHFFFAOYSA-L,,,,,,,,,,,
100.038.781,242-676-1,18922-54-8,"S,S-diisopropyl-N-(p-tolylsulphonyl)sulphimide",N-(diisopropyl-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide,CC(C)S(=NS(=O)(=O)c1ccc(C)cc1)C(C)C,CC(C)S(=NS(=O)(=O)c1ccc(C)cc1)C(C)C,"InChI=1/C13H21NO2S2/c1-10(2)17(11(3)4)14-18(15,16)13-8-6-12(5)7-9-13/h6-11H,1-5H3",C13H21NO2S2,,,,,,LOROWSYNFCQEIE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.782,242-677-7,18924-66-8,"2,2'-(tetradecylimino)bisethanol","2,2'-(tetradecylimino)diethanol",CCCCCCCCCCCCCCN(CCO)CCO,CCCCCCCCCCCCCCN(CCO)CCO,"InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3",C18H39NO2,,,,,,CPHJEACXPATRSU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.787,242-682-4,18928-62-6,"N,N'-bis(2-hydroxyethyl)terephthaldiamide","N,N'-bis(2-hydroxyethyl)terephthalamide",OCCNC(=O)c1ccc(cc1)C(=O)NCCO,OCCNC(=O)c1ccc(cc1)C(=O)NCCO,"InChI=1/C12H16N2O4/c15-7-5-13-11(17)9-1-2-10(4-3-9)12(18)14-6-8-16/h1-4,15-16H,5-8H2,(H,13,17)(H,14,18)",C12H16N2O4,,,,,,VNXJRBGZIXAZRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.788,242-684-5,18933-33-0,(3-cyano-2-hydroxypropyl)trimethylammonium chloride,"3-cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)CC(O)CC#N,[Cl-].C[N+](C)(C)CC(O)CC#N,"InChI=1/C7H15N2O.ClH/c1-9(2,3)6-7(10)4-5-8;/h7,10H,4,6H2,1-3H3;1H/q+1;/p-1",C7H15N2O.Cl,,,,,,ZOYKKWXSDFNANU-UHFFFAOYSA-M,,,,,,,,,,,
100.038.790,242-686-6,18934-20-8,"3,3'-(m-tolylimino)dipropiononitrile","3,3'-[(3-methylphenyl)imino]dipropanenitrile",Cc1cccc(c1)N(CCC#N)CCC#N,Cc1cccc(c1)N(CCC#N)CCC#N,"InChI=1/C13H15N3/c1-12-5-2-6-13(11-12)16(9-3-7-14)10-4-8-15/h2,5-6,11H,3-4,9-10H2,1H3",C13H15N3,,,,,,KOLCFYBQZNXWET-UHFFFAOYSA-N,,,,,,,,,,,
100.038.792,242-688-7,18937-33-2,Bis(a-hydroxybenzeneacetato)magnesium,magnesium bis[hydroxy(phenyl)acetate],OC(C(=O)O[Mg]OC(=O)C(O)c1ccccc1)c2ccccc2,OC(C(=O)O[Mg]OC(=O)C(O)c1ccccc1)c2ccccc2,"InChI=1/2C8H8O3.Mg/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2",C16H14MgO6,,,,,,RPONRISSUINNRF-UHFFFAOYSA-L,,,,,,,,,,,
100.038.800,242-697-6,18944-77-9,o-fluorocinnamic acid,3-(2-fluorophenyl)acrylic acid,OC(=O)\\C=C\\c1ccccc1F,OC(=O)\C=C\c1ccccc1F,"InChI=1/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)",C9H7FO2,,,,,,IOUDZAFBPDDAMK-AATRIKPKSA-N,,,,,,,,,,,
100.038.802,242-699-7,18956-87-1,10H-phenothiazine-10-carbonyl chloride,10H-phenothiazine-10-carbonyl chloride,ClC(=O)N1c2ccccc2Sc3ccccc13,ClC(=O)N1c2ccccc2Sc3ccccc13,InChI=1/C13H8ClNOS/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15/h1-8H,C13H8ClNOS,,,,,,MJRIZSDRKPPHTK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.804,242-701-6,18961-61-0,N-butyloleamide,N-butyloctadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCC,"InChI=1/C22H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)23-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3,(H,23,24)",C22H43NO,,,,,,WLUWZVUXQSJMCW-SEYXRHQNSA-N,,,,,,,,,,,
100.038.806,242-703-7,18962-61-3,"Dihydrogen bis[L-aspartato(2-)-N,O1]magnesate(2-)",magnesium bis(2-amino-3-carboxypropanoate),NC(CC(=O)O)C(=O)O[Mg]OC(=O)C(N)CC(=O)O,NC(CC(=O)O)C(=O)O[Mg]OC(=O)C(N)CC(=O)O,"InChI=1/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2",C8H10MgN2O8.2H,,,,,,RXMQCXCANMAVIO-UHFFFAOYSA-L,,,,,,,,,,,
100.038.808,242-705-8,18967-31-2,Perbromophenyl methacrylate,pentabromophenyl methacrylate,CC(=C)C(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br,CC(=C)C(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br,"InChI=1/C10H5Br5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3",C10H5Br5O2,,,,,,OFZRSOGEOFHZKS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.813,242-711-0,18977-36-1,"2,6-bis(m-nitrobenzylidene)cyclohexan-1-one","2,6-bis(3-nitrobenzylidene)cyclohexanone",[O-][N+](=O)c1cccc(c1)C=C3CCCC(=Cc2cc(ccc2)[N+]([O-])=O)C3=O,[O-][N+](=O)c1cccc(c1)C=C3CCCC(=Cc2cc(ccc2)[N+]([O-])=O)C3=O,"InChI=1/C20H16N2O5/c23-20-16(10-14-4-1-8-18(12-14)21(24)25)6-3-7-17(20)11-15-5-2-9-19(13-15)22(26)27/h1-2,4-5,8-13H,3,6-7H2",C20H16N2O5,,,,,,YXADDWKSFJIQJN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.832,233-929-7,10444-50-5,"2-(2,6-dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxolane","2-(2,6-dimethylhepta-1,5-dien-1-yl)-4-methyl-1,3-dioxolane",C/C(C)=C\\CCC(C)=CC1OC(C)CO1,C/C(C)=C\CCC(C)=CC1OC(C)CO1,"InChI=1/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3",C13H22O2,,,,,,DWZRENGNFQNWQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.844,233-942-8,10457-14-4,"2,4-bis[(trimethylsilyl)oxy]pyrimidine","2,4-bis[(trimethylsilyl)oxy]pyrimidine",C[Si](C)(C)Oc1ccnc(O[Si](C)(C)C)n1,C[Si](C)(C)Oc1ccnc(O[Si](C)(C)C)n1,"InChI=1/C10H20N2O2Si2/c1-15(2,3)13-9-7-8-11-10(12-9)14-16(4,5)6/h7-8H,1-6H3",C10H20N2O2Si2,,,,,,FSBNTQRWSOTNEW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.851,233-950-1,10465-27-7,Samarium(3+) acetate,samarium(3+) triacetate,[Sm+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Sm+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Sm/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Sm,,,,,,JPDBEEUPLFWHAJ-UHFFFAOYSA-K,,,,,,,,,,,
100.030.857,233-956-4,10469-09-7,"3,4,5,6-tetrachloropyridine-2-carboxylic acid","3,4,5,6-tetrachloropyridine-2-carboxylic acid",OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl,OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13)",C6HCl4NO2,,,,,,GXFRQLQUKBSYQL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.861,233-961-1,10471-96-2,"1,5-dimethyl-1-vinylhex-4-enyl valerate","1,5-dimethyl-1-vinylhex-4-en-1-yl valerate",CCCCC(=O)OC(C)(CCC=C(C)C)C=C,CCCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C15H26O2/c1-6-8-11-14(16)17-15(5,7-2)12-9-10-13(3)4/h7,10H,2,6,8-9,11-12H2,1,3-5H3",C15H26O2,,,,,,BYTYEUINJPKZIB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.865,233-965-3,10473-24-2,4-[(acetylamino)methyl]cyclohexanecarboxylic acid,4-(acetamidomethyl)cyclohexanecarboxylic acid,CC(=O)NCC1CCC(CC1)C(=O)O,CC(=O)NCC1CCC(CC1)C(=O)O,"InChI=1/C10H17NO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)",C10H17NO3,,,,,,IFYATEIGOYKKKS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.866,233-966-9,10474-32-5,2-methyl-2-phenylindan-1-one,2-methyl-2-phenylindan-1-one,CC1(Cc2ccccc2C1=O)c3ccccc3,CC1(Cc2ccccc2C1=O)c3ccccc3,"InChI=1/C16H14O/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(16)17/h2-10H,11H2,1H3",C16H14O,,,,,,CVZWTVDMZYGOSX-UHFFFAOYSA-N,,,,,,,,,,,
100.031.928,235-134-0,12071-83-9,Propineb,"[propane-1,2-diylbiscarbamodithioato(2-)-kappaS]zinc",CC1CNC(=S)S[Zn]SC(=S)N1,CC1CNC(=S)S[Zn]SC(=S)N1,"InChI=1/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2/rC5H8N2S4Zn/c1-3-2-6-4(8)10-12-11-5(9)7-3/h3H,2H2,1H3,(H,6,8)(H,7,9)",C5H8N2S4Zn,,,,,,KKMLIVYBGSAJPM-UHFFFAOYSA-L,,,,,,,,,,,
100.031.931,235-137-7,12075-68-2,Triethyldialuminium trichloride,di-mu-chloro(chloro)triethyldialuminum,CC[Al-]1(Cl)[Cl+][Al-](CC)(CC)[Cl+]1,CC[Al-]1(Cl)[Cl+][Al-](CC)(CC)[Cl+]1,"InChI=1/3C2H5.2Al.ClH.2Cl/c3*1-2;;;;;/h3*1H2,2H3;;;1H;;/q;;;;-1;;2*+1/p-1/rC6H15Al2Cl3/c1-4-7(5-2)10-8(9,6-3)11-7/h4-6H2,1-3H3",C6H15Al2Cl3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16123,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.931,DBINYUAUWPSIHI-UHFFFAOYSA-M,,,,,,,,,,,
100.045.222,249-760-7,29661-60-7,(ethylbenzyl)dimethyloctadecylammonium chloride,"N-(2-ethylbenzyl)-N,N-dimethyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1CC,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1CC,"InChI=1/C29H54N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-30(3,4)27-29-25-22-21-24-28(29)6-2;/h21-22,24-25H,5-20,23,26-27H2,1-4H3;1H/q+1;/p-1",C29H54N.Cl,,,,,,JZKHSOKBYWQRPU-UHFFFAOYSA-M,,,,,,,,,,,
100.045.224,249-762-8,29664-84-4,"Antimony, compound with samarium (1:1)",-,[Sm].[Sb],[Sm].[Sb],InChI=1/Sb.Sm/q+3;+2,Sb.Sm,,,,,,JQVBLEDYHQAMKN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.225,249-763-3,29668-44-8,"2,3-dihydro-1,4-benzodioxin-6-carbaldehyde","2,3-dihydro-1,4-benzodioxine-6-carbaldehyde",O=Cc1ccc2OCCOc2c1,O=Cc1ccc2OCCOc2c1,"InChI=1/C9H8O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5-6H,3-4H2",C9H8O3,,,,,,CWKXDPPQCVWXAG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.226,249-764-9,29671-83-8,2-hydroxyethyl lactate,2-hydroxyethyl 2-hydroxypropanoate,CC(O)C(=O)OCCO,CC(O)C(=O)OCCO,"InChI=1/C5H10O4/c1-4(7)5(8)9-3-2-6/h4,6-7H,2-3H2,1H3",C5H10O4,,,,,,YVOWOLLEVWDWOH-UHFFFAOYSA-N,,,,,,,,,,,
100.045.230,249-769-6,29676-71-9,2-aminothiazol-4-acetic acid,"(2-amino-1,3-thiazol-4-yl)acetic acid",Nc1nc(CC(=O)O)cs1,Nc1nc(CC(=O)O)cs1,"InChI=1/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)",C5H6N2O2S,,,,,,DYCLHZPOADTVKK-UHFFFAOYSA-N,,,,,,,,,,,
100.045.236,249-775-9,29682-44-8,"1-bromo-2,4,5-trichlorobenzene","1-bromo-2,4,5-trichlorobenzene",Clc1cc(Cl)c(Br)cc1Cl,Clc1cc(Cl)c(Br)cc1Cl,InChI=1/C6H2BrCl3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,C6H2BrCl3,,,,,,PHDKZIIWDGIUCG-UHFFFAOYSA-N,,,,,,,,,,,
100.045.241,249-781-1,29689-14-3,Chromium carbonate,chromium(2+) carbonate,[Cr+2].[O-]C(=O)[O-],[Cr+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Cr/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.xCr,,,,,,FQLFXUVKMAHCBY-UHFFFAOYSA-L,,,,,,,,,,,
100.035.736,239-327-0,15283-51-9,Iron(2+) tetrafluoroborate(1-),iron(2+) ditetrafluoroborate,[Fe+2].F[B-](F)(F)F.F[B-](F)(F)F,[Fe+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Fe/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Fe,,,,,,GXZXLFFLHJJJLX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.738,239-329-1,15285-61-7,1-chloro-3-(dibutylamino)propan-2-ol,1-chloro-3-(dibutylamino)propan-2-ol,CCCCN(CCCC)CC(O)CCl,CCCCN(CCCC)CC(O)CCl,"InChI=1/C11H24ClNO/c1-3-5-7-13(8-6-4-2)10-11(14)9-12/h11,14H,3-10H2,1-2H3",C11H24ClNO,,,,,,FLESNXAGSDQDRA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.739,239-330-7,15286-98-3,p-[(1-oxoallyl)amino]benzoic acid,4-(acryloylamino)benzoic acid,OC(=O)c1ccc(NC(=O)C=C)cc1,OC(=O)c1ccc(NC(=O)C=C)cc1,"InChI=1/C10H9NO3/c1-2-9(12)11-8-5-3-7(4-6-8)10(13)14/h2-6H,1H2,(H,11,12)(H,13,14)",C10H9NO3,,,,,,MNIDYHCRWJBKLX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.741,239-332-8,15295-60-0,"(2,2-diethoxy-1-methylethyl)benzene","(2,2-diethoxy-1-methylethyl)benzene",CCOC(OCC)C(C)c1ccccc1,CCOC(OCC)C(C)c1ccccc1,"InChI=1/C13H20O2/c1-4-14-13(15-5-2)11(3)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3",C13H20O2,,,,,,AMAXDFNIPPJNCG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.749,239-341-7,15305-07-4,"Tris(N-hydroxy-N-nitrosophenylaminato-O,O')aluminium",aluminum tris(2-oxo-1-phenylhydrazinolate),O=NN(O[Al](ON(N=O)c1ccccc1)ON(N=O)c2ccccc2)c3ccccc3,O=NN(O[Al](ON(N=O)c1ccccc1)ON(N=O)c2ccccc2)c3ccccc3,InChI=1/3C6H5N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*1-5H;/q3*-1;+3/rC18H15AlN6O6/c26-20-23(16-10-4-1-5-11-16)29-19(30-24(21-27)17-12-6-2-7-13-17)31-25(22-28)18-14-8-3-9-15-18/h1-15H,C18H15AlN6O6,,,,,,PMSRCBOGDIMQAT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.506,241-273-8,17241-24-6,"p,'-[methylenebis(oxy)]ditoluene","1,1'-[methylenebis(oxy)]bis(4-methylbenzene)",Cc1ccc(OCOc2ccc(C)cc2)cc1,Cc1ccc(OCOc2ccc(C)cc2)cc1,"InChI=1/C15H16O2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3",C15H16O2,,,,,,XBBWCUBZMGGWFC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.507,241-274-3,17241-59-7,2-(hydroxymethyl)anthraquinone,"2-(hydroxymethyl)-9,10-anthraquinone",OCc1ccc2C(=O)c3ccccc3C(=O)c2c1,OCc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2",C15H10O3,,,,,,JYKHAJGLEVKEAA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.512,241-280-6,17243-64-0,Piprozolin,"ethyl (3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate",O=C(C=C1SC(C(=O)N1CC)N2CCCCC2)OCC,O=C(C=C1SC(C(=O)N1CC)N2CCCCC2)OCC,"InChI=1/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3",C14H22N2O3S,,,,,,UAXYBJSAPFTPNB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.513,241-281-1,17243-69-5,Ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,CCOC(=O)C1(CCC=CC1N(C)C)c2ccccc2,CCOC(=O)C1(CCC=CC1N(C)C)c2ccccc2,"InChI=1/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3",C17H23NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16547,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.513,WDEFBBTXULIOBB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.516,241-284-8,17252-51-6,"4,4'-(propane-1,3-diyl)dipyridine","4,4'-propane-1,3-diyldipyridine",C(Cc1ccncc1)Cc2ccncc2,C(Cc1ccncc1)Cc2ccncc2,"InChI=1/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2",C13H14N2,,,,,,OGNCVVRIKNGJHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.521,241-290-0,17256-52-9,"2-(difluoromethylene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane","2-(difluoromethylene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane",FC(=C1OC(F)(F)C(F)(O1)C(F)(F)F)F,FC(=C1OC(F)(F)C(F)(O1)C(F)(F)F)F,"InChI=1/C5F8O2/c6-1(7)2-14-3(8,4(9,10)11)5(12,13)15-2",C5F8O2,,,,,,RFJVDJWCXSPUBY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.525,241-294-2,17264-01-6,a-methylcyclohex-3-ene-1-methanol,1-cyclohex-3-en-1-ylethanol,CC(O)C1CCC=CC1,CC(O)C1CCC=CC1,"InChI=1/C8H14O/c1-7(9)8-5-3-2-4-6-8/h2-3,7-9H,4-6H2,1H3",C8H14O,,,,,,ZBTVKVSHKXTLBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.532,241-302-4,17265-34-8,"4-amino-5-hydroxynaphthalene-2,7-disulphonic acid, sodium salt",sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate,Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O[Na])S(=O)(=O)O,Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O[Na])S(=O)(=O)O,"InChI=1/C10H9NO7S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1/rC10H8NNaO7S2/c11-8-3-6(20(14,15)16)1-5-2-7(21(17,18)19-12)4-9(13)10(5)8/h1-4,13H,11H2,(H,14,15,16)",C10H9NO7S2.xNa,,,,,,QPILZZVXGUNELN-UHFFFAOYSA-M,,,,,,,,,,,
100.037.535,241-306-6,17274-05-4,Sodium 2-phenoxypropionate,sodium 2-phenoxypropanoate,[Na+].CC(Oc1ccccc1)C(=O)[O-],[Na+].CC(Oc1ccccc1)C(=O)[O-],"InChI=1/C9H10O3.Na/c1-7(9(10)11)12-8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);/q;+1/p-1",C9H10O3.Na,,,,,,VMTCWGOAMQWYRM-UHFFFAOYSA-M,,,,,,,,,,,
100.032.713,236-000-4,13089-18-4,Phenyl 2-acetamido-2-deoxy-a-D-galactopyranoside,phenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc2ccccc2,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc2ccccc2,"InChI=1/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)",C14H19NO6,,,,,,ZUJDLWWYFIZERS-RGDJUOJXSA-N,,,,,,,,,,,
100.041.100,245-226-2,22796-40-3,4-(trichloromethyl)pyridine,4-(trichloromethyl)pyridine,ClC(Cl)(Cl)c1ccncc1,ClC(Cl)(Cl)c1ccncc1,"InChI=1/C6H4Cl3N/c7-6(8,9)5-1-3-10-4-2-5/h1-4H",C6H4Cl3N,,,,,,JYQFHKYYTOIWOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.103,245-229-9,22802-40-0,"2,6-dibromo-3,4-xylenol","2,6-dibromo-3,4-dimethylphenol",Cc1cc(Br)c(O)c(Br)c1C,Cc1cc(Br)c(O)c(Br)c1C,"InChI=1/C8H8Br2O/c1-4-3-6(9)8(11)7(10)5(4)2/h3,11H,1-2H3",C8H8Br2O,,,,,,KIVOOVZNPGTYDM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.107,245-234-6,22808-06-6,"2,2,5,5-tetramethylhex-3-ene","2,2,5,5-tetramethylhex-3-ene",CC(C)(C)C=CC(C)(C)C,CC(C)(C)C=CC(C)(C)C,"InChI=1/C10H20/c1-9(2,3)7-8-10(4,5)6/h7-8H,1-6H3",C10H20,,,,,,UYWLQEPMPVDASH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.083,240-808-2,16747-28-7,"2,3,3-trimethylhexane","2,3,3-trimethylhexane",CCCC(C)(C)C(C)C,CCCC(C)(C)C(C)C,"InChI=1/C9H20/c1-6-7-9(4,5)8(2)3/h8H,6-7H2,1-5H3",C9H20,,,,,,DJYSEQMMCZAKGT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.085,240-810-3,16747-31-2,"3,3,4-trimethylhexane","3,3,4-trimethylhexane",CCC(C)C(C)(C)CC,CCC(C)C(C)(C)CC,"InChI=1/C9H20/c1-6-8(3)9(4,5)7-2/h8H,6-7H2,1-5H3",C9H20,,,,,,ARWOOWBJJKVYOV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.088,240-814-5,16751-59-0,1-propylbutylamine,heptan-4-amine,CCCC(N)CCC,CCCC(N)CCC,"InChI=1/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3",C7H17N,,,,,,CLJMMQGDJNYDER-UHFFFAOYSA-N,,,,,,,,,,,
100.037.102,240-829-7,16781-08-1,Sodium 6-amino-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-4-hydroxynaphthalene-2-sulfonate,[Na+].Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-],[Na+].Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-],"InChI=1/C10H9NO4S.Na/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1",C10H9NO4S.Na,,,,,,WVRWRWMYWKWFMK-UHFFFAOYSA-M,,,,,,,,,,,
100.037.103,240-830-2,16782-08-4,Potassium 4-hydroxybenzoate,potassium 4-hydroxybenzoate,[K+].Oc1ccc(cc1)C(=O)[O-],[K+].Oc1ccc(cc1)C(=O)[O-],"InChI=1/C7H6O3.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",C7H6O3.K,,,,,,DKGFIVSGQRBSOG-UHFFFAOYSA-M,,,,,,,,,,,
100.037.108,240-836-5,16807-50-4,Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate,ethyl (2-methyl-5-oxotetrahydrofuran-2-yl)acetate,CCOC(=O)CC1(C)CCC(=O)O1,CCOC(=O)CC1(C)CCC(=O)O1,"InChI=1/C9H14O4/c1-3-12-8(11)6-9(2)5-4-7(10)13-9/h3-6H2,1-2H3",C9H14O4,,,,,,XPHDAEADNYTVAU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.112,240-840-7,16809-88-4,Calcium methacrylate,calcium bis(2-methylacrylate),[Ca+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Ca+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Ca/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Ca,,,,,,OAKHANKSRIPFCE-UHFFFAOYSA-L,,,,,,,,,,,
100.037.114,240-842-8,16816-67-4,"[R-(R*,R*)]-N,N'-[dithiobis[ethyleneimino(3-oxopropane-3,1-diyl)]]bis[2,4-dihydroxy-3,3-dimethylbutyramide]","N-(17,19-dihydroxy-18,18-dimethyl-3,12,16-trioxo-7,8-dithia-4,11,15-triazanonadec-1-yl)-2,4-dihydroxy-3,3-dimethylbutanamide (non-preferred name)",CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,"InChI=1/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)",C22H42N4O8S2,,,,,,DJWYOLJPSHDSAL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.121,240-850-1,16828-01-6,Ammonium sodium tartrate,ammonium sodium tartarate,[NH4+].[Na+].OC(C(O)C(=O)[O-])C(=O)[O-],[NH4+].[Na+].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.H3N.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H3;/q;;+1/p-1",C4H6O6.H3N.Na,,,,,,QGKIJYBOYMJGHT-UHFFFAOYSA-M,,,,,,,,,,,
100.037.124,240-853-8,16832-58-9,p-bis(epoxyethyl)benzene,"2,2'-(1,4-phenylene)dioxirane",C1OC1c2ccc(cc2)C3CO3,C1OC1c2ccc(cc2)C3CO3,"InChI=1/C10H10O2/c1-2-8(10-6-12-10)4-3-7(1)9-5-11-9/h1-4,9-10H,5-6H2",C10H10O2,,,,,,GXZQKSKXXFOTDE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.129,235-355-2,12186-97-9,"Antimony, compound with yttrium (1:1)",-,[Y].[Sb],[Y].[Sb],InChI=1/Sb.Y/q2*+3,Sb.Y,,,,,,LDAAFTDRWLUENA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.102,234-225-2,10602-37-6,"1,1,3,3-tetraethoxy-2-methylpropane","1,1,3,3-tetraethoxy-2-methylpropane",CCOC(OCC)C(C)C(OCC)OCC,CCOC(OCC)C(C)C(OCC)OCC,"InChI=1/C12H26O4/c1-6-13-11(14-7-2)10(5)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3",C12H26O4,,,,,,XTYLJMKJLMHFJK-UHFFFAOYSA-N,,,,,,,,,,,
100.031.105,234-228-9,10604-60-1,1-iodo-1-phenylethane,(1-iodoethyl)benzene,CC(I)c1ccccc1,CC(I)c1ccccc1,"InChI=1/C8H9I/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3",C8H9I,,,,,,HOVGFTKZAOQJEF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.111,234-235-7,10605-66-0,"4-methylpent-2-yne-1,4-diol","4-methylpent-2-yne-1,4-diol",CC(C)(O)C#CCO,CC(C)(O)C#CCO,"InChI=1/C6H10O2/c1-6(2,8)4-3-5-7/h7-8H,5H2,1-2H3",C6H10O2,,,,,,OVYWXUZVOLNCBE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.816,242-714-7,18979-60-7,4-propylresorcinol,"4-propylbenzene-1,3-diol",CCCc1ccc(O)cc1O,CCCc1ccc(O)cc1O,"InChI=1/C9H12O2/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,10-11H,2-3H2,1H3",C9H12O2,,,,,,DJDHQJFHXLBJNF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.409,238-966-2,14897-78-0,"3-(4-hydroxy-3,5-dimethoxyphenyl)propionic acid","3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid",COc1cc(CCC(=O)O)cc(OC)c1O,COc1cc(CCC(=O)O)cc(OC)c1O,"InChI=1/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)",C11H14O5,,,,,,BPPVOXVSMSXBEI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.413,238-970-4,14901-16-7,1-phenyl-3-(thiazol-2-yl)thiourea,"1-phenyl-3-(1,3-thiazol-2-yl)thiourea",S=C(Nc1ccccc1)Nc2nccs2,S=C(Nc1ccccc1)Nc2nccs2,"InChI=1/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)",C10H9N3S2,,,,,,GCZZOZBWAZHCAN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.416,238-974-6,14906-59-3,Isonicotinonitrile 1-oxide,isonicotinonitrile 1-oxide,[O-][n+]1ccc(cc1)C#N,[O-][n+]1ccc(cc1)C#N,InChI=1/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4H,C6H4N2O,,,,,,QNCSFBSIWVBTHE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.420,238-978-8,14909-27-4,"N,N'-bis(1-isopropyl-2-methylpropylidene)ethylenediamine","N,N'-bis(1-isopropyl-2-methylpropylidene)ethane-1,2-diamine",CC(C)C(=NCCN=C(C(C)C)C(C)C)C(C)C,CC(C)C(=NCCN=C(C(C)C)C(C)C)C(C)C,"InChI=1/C16H32N2/c1-11(2)15(12(3)4)17-9-10-18-16(13(5)6)14(7)8/h11-14H,9-10H2,1-8H3",C16H32N2,,,,,,QHUQCCADYQJJGO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.421,238-979-3,14913-29-2,"Nitric acid, plutonium salt",-,[Pu+3].[O-][N+](=O)[O-],[Pu+3].[O-][N+](=O)[O-],InChI=1/NO3.Pu/c2-1(3)4;/q-1;+3,HNO3.xPu,,,,,,YGQRRYHUYFCJCB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.427,238-986-1,14916-80-4,Oct-3-yn-1-ol,oct-3-yn-1-ol,CCCCC#CCCO,CCCCC#CCCO,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-4,7-8H2,1H3",C8H14O,,,,,,LRZGRGVRZSDRTK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.435,238-995-0,14924-53-9,Ethyl cyclobutanecarboxylate,ethyl cyclobutanecarboxylate,CCOC(=O)C1CCC1,CCOC(=O)C1CCC1,"InChI=1/C7H12O2/c1-2-9-7(8)6-4-3-5-6/h6H,2-5H2,1H3",C7H12O2,,,,,,SMVBADCAMQOTOV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.436,238-996-6,14925-60-1,Methyl 2-chlorohexanoate,methyl 2-chlorohexanoate,CCCCC(Cl)C(=O)OC,CCCCC(Cl)C(=O)OC,"InChI=1/C7H13ClO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3",C7H13ClO2,,,,,,ZKEGALQDZGNQIK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.437,238-997-1,14926-08-0,Magnesium bis-p-aminobenzoate,magnesium bis(4-aminobenzoate),Nc1ccc(cc1)C(=O)O[Mg]OC(=O)c2ccc(N)cc2,Nc1ccc(cc1)C(=O)O[Mg]OC(=O)c2ccc(N)cc2,"InChI=1/2C7H7NO2.Mg/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,8H2,(H,9,10);/q;;+2/p-2",C7H7NO2.1/2Mg,,,,,,OTVYDGYIWXTHKT-UHFFFAOYSA-L,,,,,,,,,,,
100.035.442,239-002-3,14933-08-5,Dodecyldimethyl(3-sulphonatopropyl)ammonium,3-[dodecyl(dimethyl)ammonio]propane-1-sulfonate,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3",C17H37NO3S,,,,,,IZWSFJTYBVKZNK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.450,239-011-2,14936-67-5,1-methyldecyl acetate,1-methyldecyl acetate,CCCCCCCCCC(C)OC(=O)C,CCCCCCCCCC(C)OC(=O)C,"InChI=1/C13H26O2/c1-4-5-6-7-8-9-10-11-12(2)15-13(3)14/h12H,4-11H2,1-3H3",C13H26O2,,,,,,HABRKYMFOVMIBP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.740,234-927-9,12042-17-0,"Aluminium, compound with iron (1:1)",aluminum - iron (1:1),[AlH3].[Fe],[AlH3].[Fe],InChI=1/Al.Fe.3H/q+3;+2;;;/rAlH3.Fe/h1H3;/q+3;+2,Al.Fe,,,,,,KCZFLPPCFOHPNI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.748,234-936-8,12043-24-2,"Aluminium, compound with praseodymium (2:1)",aluminum - praseodymium (2:1),[AlH3].[AlH3].[Pr],[AlH3].[AlH3].[Pr],InChI=1/2Al.Pr.6H/q3*+3;;;;;;/r2AlH3.Pr/h2*1H3;/q3*+3,Al.Pr,,,,,,FNAAGFMENPBRNK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.041,235-259-0,12142-69-7,"Antimony, compound with lanthanum (1:1)",-,[Sb].[La],[Sb].[La],InChI=1/La.Sb/q2*+3,La.Sb,,,,,,KCYFWTOCGXFUCW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.050,235-269-5,12148-78-6,(diethylphosphino)dimethylindium,(diethylphosphino)(dimethyl)indium,CCP(CC)[In](C)C,CCP(CC)[In](C)C,"InChI=1/C4H10P.2CH3.In/c1-3-5-4-2;;;/h3-4H2,1-2H3;2*1H3;/q-1;;;+1/rC6H16InP/c1-5-8(6-2)7(3)4/h5-6H2,1-4H3",C6H16InP,,,,,,XUIDQYDJTVCDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.822,242-721-5,18984-32-2,"Bis(methyldithiocarbamato-S,S')zinc",zinc bis(methyldithiocarbamate),CNC(=S)S[Zn]SC(=S)NC,CNC(=S)S[Zn]SC(=S)NC,"InChI=1/2C2H5NS2.Zn/c2*1-3-2(4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2/rC4H8N2S4Zn/c1-5-3(7)9-11-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)",C4H8N2S4Zn,,,,,,HZFSIJCQPSIJHB-UHFFFAOYSA-L,,,,,,,,,,,
100.038.826,242-725-7,18989-82-7,"2,6-bis(4-chlorobenzylidene)cyclohexan-1-one","2,6-bis(4-chlorobenzylidene)cyclohexanone",Clc1ccc(cc1)C=C3CCCC(=Cc2ccc(Cl)cc2)C3=O,Clc1ccc(cc1)C=C3CCCC(=Cc2ccc(Cl)cc2)C3=O,"InChI=1/C20H16Cl2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2",C20H16Cl2O,,,,,,MNFGLQYSNLSOHP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.245,249-785-3,29703-73-9,Sodium 2-sulphonatoethyl hydrogen stearate,sodium 2-(stearoyloxy)ethanesulfonate,CCCCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O[Na],CCCCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O[Na],"InChI=1/C20H40O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h2-19H2,1H3,(H,22,23,24);/q;+1/p-1/rC20H39NaO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)25-18-19-27(23,24)26-21/h2-19H2,1H3",C20H40O5S.Na,,,,,,LEEHDJJMXGSXDH-UHFFFAOYSA-M,,,,,,,,,,,
100.045.247,249-787-4,29705-38-2,"2,2'-[(4-fluoro-3-nitrophenyl)imino]bisethanol","2,2'-[(4-fluoro-3-nitrophenyl)imino]diethanol",OCCN(CCO)c1ccc(F)c(c1)[N+](=O)[O-],OCCN(CCO)c1ccc(F)c(c1)[N+](=O)[O-],"InChI=1/C10H13FN2O4/c11-9-2-1-8(7-10(9)13(16)17)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2",C10H13FN2O4,,,,,,ZZJIOLHDWAXCSE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.249,249-790-0,29706-48-7,a-[[4-(benzothiazol-2-ylazo)-m-tolyl]ethylamino]-m-toluenesulphonic acid,"3-({[4-(1,3-benzothiazol-2-yldiazenyl)-3-methylphenyl](ethyl)amino}methyl)benzenesulfonic acid",OS(=O)(=O)c1cccc(c1)CN(CC)c4ccc(N=Nc2nc3ccccc3s2)c(C)c4,OS(=O)(=O)c1cccc(c1)CN(CC)c4ccc(N=Nc2nc3ccccc3s2)c(C)c4,"InChI=1/C23H22N4O3S2/c1-3-27(15-17-7-6-8-19(14-17)32(28,29)30)18-11-12-20(16(2)13-18)25-26-23-24-21-9-4-5-10-22(21)31-23/h4-14H,3,15H2,1-2H3,(H,28,29,30)",C23H22N4O3S2,,,,,,QFZFXWNDIVQIAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.000,245-116-4,22603-53-8,"2-amino-3,5-dinitrobenzonitrile","2-amino-3,5-dinitrobenzonitrile",Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C#N,Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C#N,"InChI=1/C7H4N4O4/c8-3-4-1-5(10(12)13)2-6(7(4)9)11(14)15/h1-2H,9H2",C7H4N4O4,,,,,,RIYSFSQPHCAGLS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.004,245-121-1,22610-63-5,"(±)-2,3-dihydroxypropyl stearate","2,3-dihydroxypropyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3",C21H42O4,,,,,,VBICKXHEKHSIBG-UHFFFAOYSA-N,,,,,,,,,,,
100.041.009,245-126-9,22617-04-5,6-tert-butyl-2-[(4-chloro-2-nitrophenyl)azo]-p-cresol,2-tert-butyl-6-[(4-chloro-2-nitrophenyl)diazenyl]-4-methylphenol,Clc2cc(c(N=Nc1cc(C)cc(c1O)C(C)(C)C)cc2)[N+]([O-])=O,Clc2cc(c(N=Nc1cc(C)cc(c1O)C(C)(C)C)cc2)[N+]([O-])=O,"InChI=1/C17H18ClN3O3/c1-10-7-12(17(2,3)4)16(22)14(8-10)20-19-13-6-5-11(18)9-15(13)21(23)24/h5-9,22H,1-4H3",C17H18ClN3O3,,,,,,VCXHQNDCECCAOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.368,238-921-7,14857-34-2,Ethoxydimethylsilane,ethoxy(dimethyl)silane,CCO[SiH](C)C,CCO[SiH](C)C,"InChI=1/C4H12OSi/c1-4-5-6(2)3/h6H,4H2,1-3H3",C4H12OSi,,,,,,XZFFGKZBTQABBO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.374,238-928-5,14860-53-8,Tetrapotassium (1-hydroxyethylidene)bisphosphonate,"tetrapotassium (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[K+].[K+].[K+].[K+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[K+].[K+].[K+].[K+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.4K/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4",C2H8O7P2.4K,,,,,,DHQZXBINJKHIPR-UHFFFAOYSA-J,,,,,,,,,,,
100.037.000,240-716-2,16672-66-5,2-methoxyethyl (hydroxymethyl)carbamate,2-methoxyethyl (hydroxymethyl)carbamate,COCCOC(=O)NCO,COCCOC(=O)NCO,"InChI=1/C5H11NO4/c1-9-2-3-10-5(8)6-4-7/h7H,2-4H2,1H3,(H,6,8)",C5H11NO4,,,,,,JXVHGKLCTWBYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.007,240-724-6,16676-96-3,(Z)-dodec-5-enyl acetate,dodec-5-en-1-yl acetate,CCCCCC\\C=C/CCCCOC(=O)C,CCCCCC\C=C/CCCCOC(=O)C,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h8-9H,3-7,10-13H2,1-2H3",C14H26O2,,,,,,FOEWNRTZASNZJY-HJWRWDBZSA-N,,,,,,,,,,,
100.037.010,240-727-2,16680-47-0,"Estra-1,3,5(10),7-tetraen-17-one, 3-(sulfooxy)-, sodium salt",-,[Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O,[Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O,"InChI=1/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1",C18H20O5S.Na,,,,,,QTTMOCOWZLSYSV-QWAPEVOJSA-N,,,,,,,,,,,
100.037.013,240-730-9,16687-06-2,Dibutylammonium trihydrogen diphosphorate,N-butylbutan-1-aminium trihydrogen diphosphate,CCCC[NH2+]CCCC.[O-]P(=O)([O-])OP(=O)([O-])[O-],CCCC[NH2+]CCCC.[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/C8H19N.H4O7P2/c1-3-5-7-9-8-6-4-2;1-8(2,3)7-9(4,5)6/h9H,3-8H2,1-2H3;(H2,1,2,3)(H2,4,5,6)/p-3",C8H19N.H4O7P2,,,,,,GFFBAXKJVPVOAP-UHFFFAOYSA-K,,,,,,,,,,,
100.032.715,236-003-0,13091-80-0,6-chloro-4-nitro-1H-benzotriazole,6-chloro-4-nitro-1H-benzotriazole,[O-][N+](=O)c1cc(Cl)cc2[nH]nnc12,[O-][N+](=O)c1cc(Cl)cc2[nH]nnc12,"InChI=1/C6H3ClN4O2/c7-3-1-4-6(9-10-8-4)5(2-3)11(12)13/h1-2H,(H,8,9,10)",C6H3ClN4O2,,,,,,HRBBUEDJKCLTQE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.719,236-007-2,13093-17-9,Cerium tetranitrate,-,[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ce.4NO3/c;4*2-1(3)4/q+3;4*-1,Ce.4HNO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10375,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.719,PSMBTRFOOMHNMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.721,236-009-3,13093-88-4,Perimetazine,1-[3-(2-methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]piperidin-4-ol,COc1ccc2Sc3ccccc3N(CC(C)CN4CCC(O)CC4)c2c1,COc1ccc2Sc3ccccc3N(CC(C)CN4CCC(O)CC4)c2c1,"InChI=1/C22H28N2O2S/c1-16(14-23-11-9-17(25)10-12-23)15-24-19-5-3-4-6-21(19)27-22-8-7-18(26-2)13-20(22)24/h3-8,13,16-17,25H,9-12,14-15H2,1-2H3",C22H28N2O2S,,,,,,WYRWAVVTDKZRIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.726,236-015-6,13096-65-6,"N,N-dimethyl-D-gluconamide","2,3,4,5,6-pentahydroxy-N,N-dimethylhexanamide (non-preferred name)",CN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C8H17NO6/c1-9(2)8(15)7(14)6(13)5(12)4(11)3-10/h4-7,10-14H,3H2,1-2H3",C8H17NO6,,,,,,PQMRMTZIBKYCLH-MVIOUDGNSA-N,,,,,,,,,,,
100.032.727,236-016-1,13098-41-4,Barium decanoate,barium didecanoate,[Ba+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/2C10H20O2.Ba/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Ba,,,,,,OUOYUKOMZFADNU-UHFFFAOYSA-L,,,,,,,,,,,
100.032.735,236-025-0,13103-52-1,Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate,"dodecyl octadecyl 3,3'-sulfanediyldipropanoate",CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,"InChI=1/C36H70O4S/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-32-40-36(38)30-34-41-33-29-35(37)39-31-27-25-23-21-14-12-10-8-6-4-2/h3-34H2,1-2H3",C36H70O4S,,,,,,RRZCFXQTVDJDGF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.736,236-026-6,13103-75-8,"N,N-dimethyl-4-(2-pyridylazo)aniline","N,N-dimethyl-4-(pyridin-2-yldiazenyl)aniline",CN(C)c2ccc(N=Nc1ccccn1)cc2,CN(C)c2ccc(N=Nc1ccccn1)cc2,"InChI=1/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3",C13H14N4,,,,,,IOJNPSPGHUEJAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.740,236-030-8,13106-47-3,Beryllium carbonate,beryllium carbonate,[Be+2].[O-]C(=O)[O-],[Be+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Be/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Be,,,,,,ZBUQRSWEONVBES-UHFFFAOYSA-L,,,,,,,,,,,
100.032.743,236-033-4,13108-19-5,10-aminodecanoic acid,10-aminodecanoic acid,NCCCCCCCCCC(=O)O,NCCCCCCCCCC(=O)O,"InChI=1/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)",C10H21NO2,,,,,,XAUQWYHSQICPAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.746,236-037-6,13110-96-8,5-acetylsalicylic acid,5-acetyl-2-hydroxybenzoic acid,CC(=O)c1ccc(O)c(c1)C(=O)O,CC(=O)c1ccc(O)c(c1)C(=O)O,"InChI=1/C9H8O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3,(H,12,13)",C9H8O4,,,,,,NZRDKNBIPVLNHA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.121,239-750-0,15673-79-7,"D-Ribose, 5-(dihydrogen phosphate), barium salt (1:1)","[5-O-(phosphono-kappa~2~O,O')pentofuranosato(2-)]barium",OC1OC(COP2(=O)O[Ba]O2)C(O)C1O,OC1OC(COP2(=O)O[Ba]O2)C(O)C1O,"InChI=1/C5H11O8P.Ba/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7;/h2-8H,1H2,(H2,9,10,11);/q;+2/p-2/rC5H9BaO8P/c7-3-2(12-5(9)4(3)8)1-11-15(10)13-6-14-15/h2-5,7-9H,1H2",C5H11O8P.Ba,,,,,,VNFDCDZWBYRPMC-UHFFFAOYSA-L,,,,,,,,,,,
100.036.124,239-753-7,15676-16-1,Sulpiride,N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide,CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,"InChI=1/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)",C15H23N3O4S,,,,,,BGRJTUBHPOOWDU-UHFFFAOYSA-N,Positive/Negative,AU168502|AU168503|AU168504|AU168505;EQ302701|EQ302702|EQ302703|EQ302704|EQ302705|EQ302706,[M+H]+;[M+H]+,CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,342.149:343.1514:344.1468|342.149:214.0166:343.1514|214.0166:112.1117:342.149|214.0165:138.9841:112.1119;342.1483:112.112:214.0154|342.1483:112.112:214.0166|112.1121:214.0168:342.1483|112.112:214.0168:84.0807|112.112:214.0168:84.0807|84.0808:112.1121:214.0168,Athens_Univ;Eawag,EQ302751|EQ302752|EQ302753|EQ302754|EQ302755|EQ302756,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,340.1334:156.0124:186.023|156.0125:79.9811:340.1334|156.0125:79.9811:61.9706|156.0125:79.9811:61.9706|79.9811:156.0125:61.9706|79.9812:61.9706:63.9624,Eawag
100.037.629,241-409-6,17372-87-1,"Disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate","disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate",[Na+].[Na+].[O-]C(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br,[Na+].[Na+].[O-]C(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br,"InChI=1/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",C20H8Br4O5.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18517,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.629,SEACYXSIPDVVMV-UHFFFAOYSA-L,,,,,,,,,,,
100.037.631,241-411-7,17373-89-6,2-hexylidenecyclopentanone,2-hexylidenecyclopentanone,O=C1CCCC1=CCCCCC,O=C1CCCC1=CCCCCC,"InChI=1/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h7H,2-6,8-9H2,1H3",C11H18O,,,,,,WZPGQHVPSKTELT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.651,241-433-7,17407-37-3,"[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl] hydrogen succinate","4-oxo-4-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy}butanoic acid",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)CCC(=O)O)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)CCC(=O)O)c(C)c(C)c2O1,"InChI=1/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)",C33H54O5,,,,,,IELOKBJPULMYRW-UHFFFAOYSA-N,,,,,,,,,,,
100.031.116,234-240-4,11006-14-7,"(3ß,5ß)-3-[(2,6-dideoxy-4-O-ß-D-glucopyranosyl-ß-D\-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide","3-[(2,6-dideoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide",CC1OC(CC(O)C1OC2OC(CO)C(O)C(O)C2O)OC3CCC4(CO)C5CCC6(C)C(CCC6(O)C5CCC4(O)C3)C7=CC(=O)OC7,CC1OC(CC(O)C1OC2OC(CO)C(O)C(O)C2O)OC3CCC4(CO)C5CCC6(C)C(CCC6(O)C5CCC4(O)C3)C7=CC(=O)OC7,"InChI=1/C35H54O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,17,19-24,26-31,36-38,40-44H,3-10,12-16H2,1-2H3",C35H54O14,,,,,,ZOETZSGSRHQMDI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.254,234-393-7,11138-61-7,"Nonanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol","2,2-bis(hydroxymethyl)butyl nonanoate",CCCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C15H30O4/c1-3-5-6-7-8-9-10-14(18)19-13-15(4-2,11-16)12-17/h16-17H,3-13H2,1-2H3",-,,,,,,QZGCLOUMWSCVHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.547,236-918-5,13547-17-6,"N,N''-methylenebis(urea)","N,N''-methylenediurea",NC(=O)NCNC(=O)N,NC(=O)NCNC(=O)N,"InChI=1/C3H8N4O2/c4-2(8)6-1-7-3(5)9/h1H2,(H3,4,6,8)(H3,5,7,9)",C3H8N4O2,,,,,,KQVLODRFGIKJHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.552,236-923-2,13548-43-1,Ammonium chromium bis(sulphate),ammonium chromium bis(sulphate),[NH4+].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Cr.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+2;;;/p-3",Cr.H3N.2H2O4S,,,,,,YSHMDHKCKQNRDS-UHFFFAOYSA-K,,,,,,,,,,,
100.033.553,236-924-8,13548-69-1,"9H-fluorene-2,7-diamine dihydrochloride","9H-fluorene-2,7-diamine dihydrochloride",Cl.Cl.Nc1ccc2c(Cc3cc(N)ccc23)c1,Cl.Cl.Nc1ccc2c(Cc3cc(N)ccc23)c1,"InChI=1/C13H12N2.2ClH/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;;/h1-4,6-7H,5,14-15H2;2*1H",C13H12N2.2ClH,,,,,,QJXYCUYLZDQRIN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.554,236-925-3,13550-28-2,Lithium bromate,lithium bromate,[Li+].[O-]Br(=O)=O,[Li+].[O-]Br(=O)=O,"InChI=1/BrHO3.Li/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",BrHO3.Li,,,,,,XWHZVOLSLQFSTN-UHFFFAOYSA-M,,,,,,,,,,,
100.033.561,236-933-7,13552-09-5,"2-aminooctadecane-1,3-diol","2-aminooctadecane-1,3-diol",CCCCCCCCCCCCCCCC(O)C(N)CO,CCCCCCCCCCCCCCCC(O)C(N)CO,"InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3",C18H39NO2,,,,,,OTKJDMGTUTTYMP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.562,236-934-2,13552-44-8,"4,4'-methylenedianilinium dichloride","4,4'-methylenedianilinium dichloride",[Cl-].[Cl-].[NH3+]c1ccc(Cc2ccc([NH3+])cc2)cc1,[Cl-].[Cl-].[NH3+]c1ccc(Cc2ccc([NH3+])cc2)cc1,"InChI=1/C13H14N2.2ClH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h1-8H,9,14-15H2;2*1H",C13H14N2.2ClH,,,,,,MXNNTNFLRICRPT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.567,236-940-5,13555-64-1,2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl phenoxyacetate,2-[(2-cyanoethyl){4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}amino]ethyl phenoxyacetate,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(=O)COc2ccccc2)c(C#N)c3,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(=O)COc2ccccc2)c(C#N)c3,"InChI=1/C26H22N6O5/c27-13-4-14-31(15-16-36-26(33)19-37-24-5-2-1-3-6-24)22-9-7-21(8-10-22)29-30-25-12-11-23(32(34)35)17-20(25)18-28/h1-3,5-12,17H,4,14-16,19H2",C26H22N6O5,,,,,,NNTORMOUOAPPSO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.568,236-941-0,13556-84-8,"2,2'-dichloroazoxybenzene",1-chloro-2-[(2-chlorophenyl)-NNO-azoxy]benzene,Clc1ccccc1N=N(=O)c2ccccc2Cl,Clc1ccccc1N=N(=O)c2ccccc2Cl,InChI=1/C12H8Cl2N2O/c13-9-5-1-3-7-11(9)15-16(17)12-8-4-2-6-10(12)14/h1-8H,C12H8Cl2N2O,,,,,,NKUNBLUACJUHOA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.572,236-945-2,13559-66-5,Bornan-2-one oxime,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime",ON=C1CC2CCC1(C)C2(C)C,ON=C1CC2CCC1(C)C2(C)C,"InChI=1/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3",C10H17NO,,,,,,OVFDEGGJFJECAT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.576,236-949-4,13560-99-1,"Sodium 2,4,5-trichlorophenoxyacetate","sodium (2,4,5-trichlorophenoxy)acetate",[Na+].[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,[Na+].[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3.Na/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1",C8H5Cl3O3.Na,,,,,,KXVMKVOQCMSZSZ-UHFFFAOYSA-M,,,,,,,,,,,
100.033.582,236-956-2,13565-97-4,Zirconium diphosphate,zirconium diphosphate,[Zr+2].[Zr+2].[Zr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Zr+2].[Zr+2].[Zr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2H3O4P.3Zr/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;3*+2/p-6",H4O7P2.Zr,,,,,,KRDKABZRVBMVRM-UHFFFAOYSA-H,,,,,,,,,,,
100.033.593,236-968-8,13566-21-7,Diammonium lanthanum pentanitrate,diammonium lanthanum pentanitrate,[NH4+].[NH4+].[La+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[La+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/La.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2,H3N.5/2HNO3.1/2La,,,,,,KFCCHBLLEVQUJO-UHFFFAOYSA-P,,,,,,,,,,,
100.033.594,236-969-3,13566-22-8,Diammonium manganese bis(sulphate),diammonium manganese bis(sulphate),[NH4+].[NH4+].[Mn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[Mn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Mn.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2",H3N.H2O4S.1/2Mn,,,,,,VODGJKZAAVKBAL-UHFFFAOYSA-L,,,,,,,,,,,
100.038.828,242-727-8,18991-05-4,Cadmium diphenolate,cadmium bisphenolate,[Cd+2].[O-]c1ccccc1.[O-]c2ccccc2,[Cd+2].[O-]c1ccccc1.[O-]c2ccccc2,"InChI=1/2C6H6O.Cd/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2",C6H6O.1/2Cd,,,,,,VTMTVGYCRBFFCS-UHFFFAOYSA-L,,,,,,,,,,,
100.038.833,242-733-0,18996-34-4,Sodium hydrogen adipate,sodium hydrogen adipate,[Na+].[O-]C(=O)CCCCC(=O)[O-],[Na+].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.Na/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-2",C6H10O4.Na,,,,,,GOGGIOPQLKEIGC-UHFFFAOYSA-L,,,,,,,,,,,
100.038.838,242-738-8,18999-28-5,Hept-2-enoic acid,hept-2-enoic acid,CCCCC=CC(O)=O,CCCCC=CC(O)=O,"InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)",C7H12O2,,,,,,YURNCBVQZBJDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.839,242-739-3,18999-43-4,"1-(2,2-diethoxyethyl)-1H-imidazole","1-(2,2-diethoxyethyl)-1H-imidazole",CCOC(Cn1ccnc1)OCC,CCOC(Cn1ccnc1)OCC,"InChI=1/C9H16N2O2/c1-3-12-9(13-4-2)7-11-6-5-10-8-11/h5-6,8-9H,3-4,7H2,1-2H3",C9H16N2O2,,,,,,UQTQTELOLYOJRS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.842,242-743-5,19009-39-3,Diisopropylcarbamoyl chloride,diisopropylcarbamic chloride,CC(C)N(C(C)C)C(=O)Cl,CC(C)N(C(C)C)C(=O)Cl,"InChI=1/C7H14ClNO/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3",C7H14ClNO,,,,,,RSAFAYLZKCYUQW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.847,242-748-2,19010-66-3,Lead bis(dimethyldithiocarbamate),-,[Pb+2].S=C([S-])N(C)C.CN(C)C([S-])=S,[Pb+2].S=C([S-])N(C)C.CN(C)C([S-])=S,"InChI=1/2C3H7NS2.Pb.2H/c2*1-4(2)3(5)6;;;/h2*1-2H3,(H,5,6);;;/q;;+4;;/p-2/r2C3H7NS2.H2Pb/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);1H2/q;;+4/p-2",C6H12N2PbS4,,,,,,QGTHALAWFUFVCU-UHFFFAOYSA-L,,,,,,,,,,,
100.038.850,242-751-9,19013-10-6,Ethyl 4-hydroxy-3-nitrobenzoate,ethyl 4-hydroxy-3-nitrobenzoate,CCOC(=O)c1ccc(O)c(c1)[N+](=O)[O-],CCOC(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3",C9H9NO5,,,,,,FBHJNBWUGONVNS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.852,242-754-5,19014-05-2,4-dodecylbenzyltrimethylammonium chloride,"(4-dodecylphenyl)-N,N,N-trimethylmethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)C)cc1,[Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)C)cc1,"InChI=1/C22H40N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-18-22(19-17-21)20-23(2,3)4;/h16-19H,5-15,20H2,1-4H3;1H/q+1;/p-1",C22H40N.Cl,,,,,,YGKOYVNJPRSSRX-UHFFFAOYSA-M,,,,,,,,,,,
100.038.854,242-756-6,19014-53-0,1-amino-2-[p-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxyanthraquinone,"1-amino-4-hydroxy-2-{4-[(2-oxoazepan-1-yl)methyl]phenoxy}-9,10-anthraquinone",Nc1c(Oc2ccc(CN3CCCCCC3=O)cc2)cc(O)c4C(=O)c5ccccc5C(=O)c14,Nc1c(Oc2ccc(CN3CCCCCC3=O)cc2)cc(O)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C27H24N2O5/c28-25-21(14-20(30)23-24(25)27(33)19-7-4-3-6-18(19)26(23)32)34-17-11-9-16(10-12-17)15-29-13-5-1-2-8-22(29)31/h3-4,6-7,9-12,14,30H,1-2,5,8,13,15,28H2",C27H24N2O5,,,,,,MUABDJUHEPDWHI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.866,242-769-7,19036-73-8,(S)-a-methyl-m-(trifluoromethyl)phenethylamine,1-[3-(trifluoromethyl)phenyl]propan-2-amine,C[C@H](N)Cc1cccc(c1)C(F)(F)F,C[C@H](N)Cc1cccc(c1)C(F)(F)F,"InChI=1/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3",C10H12F3N,,,,,,MLBHFBKZUPLWBD-ZETCQYMHSA-N,,,,,,,,,,,
100.038.870,242-773-9,19040-71-2,"4-(chloromethyl)-7,8-dihydroxy-2-benzopyrone","4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one",Oc1ccc2C(=CC(=O)Oc2c1O)CCl,Oc1ccc2C(=CC(=O)Oc2c1O)CCl,"InChI=1/C10H7ClO4/c11-4-5-3-8(13)15-10-6(5)1-2-7(12)9(10)14/h1-3,12,14H,4H2",C10H7ClO4,,,,,,DISLGKNXGGQKTE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.455,239-017-5,14938-42-2,"Dipotassium 9,10-dihydro-9,10-dioxoanthracene-1,8-disulphonate","dipotassium 9,10-dioxo-9,10-dihydroanthracene-1,8-disulfonate",[K+].[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H8O8S2.2K/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H8O8S2.2K,,,,,,PWPFDCNGQQSVJK-UHFFFAOYSA-L,,,,,,,,,,,
100.035.462,239-024-3,14948-96-0,p-nitrophenyl 2-acetamido-2-deoxy-ß-D-galactopyranoside,4-nitrophenyl 2-acetamido-2-deoxy-beta-D-galactopyranoside,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+](=O)[O-],CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)",C14H18N2O8,,,,,,OMRLTNCLYHKQCK-RKQHYHRCSA-N,,,,,,,,,,,
100.035.471,239-034-8,14960-16-8,Cobalt dilaurate,cobalt(2+) didodecanoate,[Co+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Co+2].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",C12H24O2.1/2Co,,,,,,ZXTQQLBKWDRTKI-UHFFFAOYSA-L,,,,,,,,,,,
100.035.475,239-039-5,14965-99-2,Cobalt tricyanide,-,[Co+2].[C-]#N.[C-]#N.[C-]#N,[Co+2].[C-]#N.[C-]#N.[C-]#N,InChI=1/3CN.Co/c3*1-2;/q3*-1;+2,C3CoN3,,,,,,XWEGUBOHGCJLCR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.020,240-738-2,16693-69-9,Tetrasodium [(dodecylimino)bis(methylene)]bisphosphonate,tetrasodium [(dodecylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;;;/q;4*+1/p-4",C14H33NO6P2.4Na,,,,,,FRGVMGMRMJJSFE-UHFFFAOYSA-J,,,,,,,,,,,
100.030.873,233-974-2,10476-95-6,2-methylallylidene diacetate,"2-methylprop-1-ene-3,3-diyl diacetate",CC(=O)OC(OC(=O)C)C(=C)C,CC(=O)OC(OC(=O)C)C(=C)C,"InChI=1/C8H12O4/c1-5(2)8(11-6(3)9)12-7(4)10/h8H,1H2,2-4H3",C8H12O4,,,,,,QFXJBPCTHSTOPE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.874,233-975-8,10477-47-1,2-propynyl acrylate,prop-2-yn-1-yl acrylate,C=CC(=O)OCC#C,C=CC(=O)OCC#C,"InChI=1/C6H6O2/c1-3-5-8-6(7)4-2/h1,4H,2,5H2",C6H6O2,,,,,,WPBNLDNIZUGLJL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.016,234-131-1,10547-60-1,4-chloro-4'-methoxybenzophenone,(4-chlorophenyl)(4-methoxyphenyl)methanone,COc1ccc(cc1)C(=O)c2ccc(Cl)cc2,COc1ccc(cc1)C(=O)c2ccc(Cl)cc2,"InChI=1/C14H11ClO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3",C14H11ClO2,,,,,,JJVJYPSXZCEIEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.017,234-132-7,10549-91-4,"9,11ß-dichloro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(butyrate)","9,11-dichloro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dibutanoate",CCCC(=O)OCC(=O)[C@@]1(OC(=O)CCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C,CCCC(=O)OCC(=O)[C@@]1(OC(=O)CCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C,"InChI=1/C30H40Cl2O6/c1-6-8-25(35)37-17-24(34)30(38-26(36)9-7-2)18(3)14-22-21-11-10-19-15-20(33)12-13-27(19,4)29(21,32)23(31)16-28(22,30)5/h12-13,15,18,21-23H,6-11,14,16-17H2,1-5H3",C30H40Cl2O6,,,,,,HUXCOHMTWUSXGY-GAPIFECDSA-N,,,,,,,,,,,
100.031.022,234-137-4,10551-58-3,5-formylfurfuryl acetate,(5-formyl-2-furyl)methyl acetate,CC(=O)OCc1oc(C=O)cc1,CC(=O)OCc1oc(C=O)cc1,"InChI=1/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3",C8H8O4,,,,,,QAVITTVTXPZTSE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.023,234-139-5,10552-74-6,Diisopropyl 5-nitroisophthalate,diisopropyl 5-nitroisophthalate,CC(C)OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC(C)C,CC(C)OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC(C)C,"InChI=1/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3",C14H17NO6,,,,,,VJAWBEFMCIINFU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.025,234-141-6,10553-78-3,S-(2-chloro-2-oxoethyl) ethanethioate,S-(2-chloro-2-oxoethyl) ethanethioate,CC(=O)SCC(=O)Cl,CC(=O)SCC(=O)Cl,"InChI=1/C4H5ClO2S/c1-3(6)8-2-4(5)7/h2H2,1H3",C4H5ClO2S,,,,,,CDVXHLKKIJCRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.031.042,234-159-4,10573-17-8,3a-hydroxy-6-oxo-5a-cholan-24-oic acid,3-hydroxy-6-oxocholan-24-oic acid,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)",C24H38O4,,,,,,JWZBXKZZDYMDCJ-NYGMMZBPSA-N,,,,,,,,,,,
100.031.962,235-171-2,12113-07-4,Sodium hydroxytriphenylborate(1-),sodium hydroxy(triphenyl)borate(1-),[Na+].O[B-](c1ccccc1)(c2ccccc2)c3ccccc3,[Na+].O[B-](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C18H16BO.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q-1;+1",C18H16BO.Na,,,,,,SUZMSMLUONFLDA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.970,235-180-1,12122-67-7,Zineb,"zinc ethane-1,2-diylbis(dithiocarbamate)",[Zn+2].[S-]C(=S)NCCNC(=S)[S-],[Zn+2].[S-]C(=S)NCCNC(=S)[S-],"InChI=1/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2",C4H6N2S4Zn,,,,,,AMHNZOICSMBGDH-UHFFFAOYSA-L,,,,,,,,,,,
100.031.973,235-183-8,12124-97-9,Ammonium bromide,ammonium bromide,[NH4+].[Br-],[NH4+].[Br-],InChI=1/BrH.H3N/h1H;1H3,BrH4N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10999,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.973,SWLVFNYSXGMGBS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.975,235-185-9,12125-01-8,Ammonium fluoride,ammonium fluoride,[NH4+].[F-],[NH4+].[F-],InChI=1/FH.H3N/h1H;1H3,FH4N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5498,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.975,LDDQLRUQCUTJBB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.020,245-138-4,22627-70-9,3-ethoxycyclopent-2-en-1-one,3-ethoxycyclopent-2-en-1-one,CCOC1=CC(=O)CC1,CCOC1=CC(=O)CC1,"InChI=1/C7H10O2/c1-2-9-7-4-3-6(8)5-7/h5H,2-4H2,1H3",C7H10O2,,,,,,SUQNVCCJLBQVEI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.022,245-141-0,22629-48-7,Undec-2-enonitrile,undec-2-enenitrile,CCCCCCCCC=CC#N,CCCCCCCCC=CC#N,"InChI=1/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10H,2-8H2,1H3",C11H19N,,,,,,HETFMJQWNWIBPN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.031,245-151-5,22664-55-7,Metipranolol,"4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl acetate",CC(C)NCC(O)COc1cc(C)c(OC(=O)C)c(C)c1C,CC(C)NCC(O)COc1cc(C)c(OC(=O)C)c(C)c1C,"InChI=1/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3",C17H27NO4,,,,,,BQIPXWYNLPYNHW-UHFFFAOYSA-N,,,,,,,,,,,
100.041.040,245-160-4,22695-02-9,"Bis(2-methylpropyl) 3,3'-thiobispropionate","diisobutyl 3,3'-sulfanediyldipropanoate",CC(C)COC(=O)CCSCCC(=O)OCC(C)C,CC(C)COC(=O)CCSCCC(=O)OCC(C)C,"InChI=1/C14H26O4S/c1-11(2)9-17-13(15)5-7-19-8-6-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3",C14H26O4S,,,,,,IVXXVLUDEOIOKF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.658,241-441-0,17413-51-3,3-pyridylmethyl 2-(4-chlorophenoxy)-2-methylpropionate hydrochloride,pyridin-3-ylmethyl 2-(4-chlorophenoxy)-2-methylpropanoate hydrochloride,Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccnc2,Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccnc2,"InChI=1/C16H16ClNO3.ClH/c1-16(2,21-14-7-5-13(17)6-8-14)15(19)20-11-12-4-3-9-18-10-12;/h3-10H,11H2,1-2H3;1H",C16H16ClNO3.ClH,,,,,,MTTOJXKYQMOKBL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.877,237-281-6,13718-65-5,Iron potassium bis(sulphate),iron potassium bis(sulphate),[Fe+3].[K+].[O-]S(=O)(=O)[O-].[O-]S([O-])(=O)=O,[Fe+3].[K+].[O-]S(=O)(=O)[O-].[O-]S([O-])(=O)=O,"InChI=1/Fe.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",Fe.2H2O4S.K,,,,,,RZEWPBTZTSBBAK-UHFFFAOYSA-J,,,,,,,,,,,
100.033.888,237-293-1,13726-52-8,Diethyl N-(4-aminobenzoyl)-L-glutamate,diethyl N-(4-aminobenzoyl)-L-glutamate,CCOC(=O)CC[C@H](NC(=O)c1ccc(N)cc1)C(=O)OCC,CCOC(=O)CC[C@H](NC(=O)c1ccc(N)cc1)C(=O)OCC,"InChI=1/C16H22N2O5/c1-3-22-14(19)10-9-13(16(21)23-4-2)18-15(20)11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10,17H2,1-2H3,(H,18,20)",C16H22N2O5,,,,,,RJXFBLRRPYBPTM-ZDUSSCGKSA-N,,,,,,,,,,,
100.033.890,237-295-2,13726-76-6,N2-(tert-butoxycarbonyl)-L-arginine,N~2~-(tert-butoxycarbonyl)-L-arginine,CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)",C11H22N4O4,,,,,,HSQIYOPBCOPMSS-ZETCQYMHSA-N,,,,,,,,,,,
100.033.893,237-298-9,13730-34-2,Diethyl tetrasulphide,diethyltetrasulfane,CCSSSSCC,CCSSSSCC,"InChI=1/C4H10S4/c1-3-5-7-8-6-4-2/h3-4H2,1-2H3",C4H10S4,,,,,,XFSWEOBOOZNZKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.895,237-300-8,13731-82-3,"2,5-dibromoterephthalic acid","2,5-dibromoterephthalic acid",OC(=O)c1cc(Br)c(cc1Br)C(=O)O,OC(=O)c1cc(Br)c(cc1Br)C(=O)O,"InChI=1/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)",C8H4Br2O4,,,,,,VUTICWRXMKBOSF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.896,237-301-3,13732-62-2,Morpholinium toluene-4-sulphonate,morpholin-4-ium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].C2COCC[NH2+]2,Cc1ccc(cc1)S(=O)(=O)[O-].C2COCC[NH2+]2,"InChI=1/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1/h2-5H,1H3,(H,8,9,10);5H,1-4H2",C7H8O3S.C4H9NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13257,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.896,LYWVNPSVLAFTFX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.905,237-311-8,13739-35-0,3-[(4-methylphenyl)thio]propionic acid,3-[(4-methylphenyl)sulfanyl]propanoic acid,Cc1ccc(SCCC(=O)O)cc1,Cc1ccc(SCCC(=O)O)cc1,"InChI=1/C10H12O2S/c1-8-2-4-9(5-3-8)13-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)",C10H12O2S,,,,,,ZRYGVBRPRKRFHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.907,237-313-9,13741-61-2,"4,4-dimethyl-2-propyl-1,3-dioxolane","4,4-dimethyl-2-propyl-1,3-dioxolane",CCCC1OCC(C)(C)O1,CCCC1OCC(C)(C)O1,"InChI=1/C8H16O2/c1-4-5-7-9-6-8(2,3)10-7/h7H,4-6H2,1-3H3",C8H16O2,,,,,,ASGJWJIFWZSCDB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.548,241-320-2,17289-49-5,Tetridamine,"N,2-dimethyl-4,5,6,7-tetrahydro-2H-indazol-3-amine",CNc1c2CCCCc2nn1C,CNc1c2CCCCc2nn1C,"InChI=1/C9H15N3/c1-10-9-7-5-3-4-6-8(7)11-12(9)2/h10H,3-6H2,1-2H3",C9H15N3,,,,,,NKDJNEGDJVXHKM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.559,241-332-8,17304-65-3,"2-[acetyl(4-dodecylphenyl)amino]-4-[[4-methoxy-3-[[3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]phenyl]amino]-4-oxobutyric acid",N~2~-acetyl-N~2~-(4-dodecylphenyl)-N-(4-methoxy-3-{[3-(4-methoxyphenyl)-3-oxopropanoyl]amino}phenyl)asparagine,CCCCCCCCCCCCc1ccc(cc1)N(C(CC(=O)Nc2ccc(OC)c(NC(=O)CC(=O)c3ccc(OC)cc3)c2)C(=O)O)C(=O)C,CCCCCCCCCCCCc1ccc(cc1)N(C(CC(=O)Nc2ccc(OC)c(NC(=O)CC(=O)c3ccc(OC)cc3)c2)C(=O)O)C(=O)C,"InChI=1/C41H53N3O8/c1-5-6-7-8-9-10-11-12-13-14-15-30-16-21-33(22-17-30)44(29(2)45)36(41(49)50)27-39(47)42-32-20-25-38(52-4)35(26-32)43-40(48)28-37(46)31-18-23-34(51-3)24-19-31/h16-26,36H,5-15,27-28H2,1-4H3,(H,42,47)(H,43,48)(H,49,50)",C41H53N3O8,,,,,,JNRIODYOJBONQO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.561,241-334-9,17306-43-3,2-nitro-1-ß-D-ribofuranosyl-1H-imidazole,2-nitro-1-beta-D-ribofuranosyl-1H-imidazole,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2ccnc2[N+](=O)[O-],OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2ccnc2[N+](=O)[O-],"InChI=1/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2",C8H11N3O6,,,,,,GEPYEWPQCQPUJN-DBRKOABJSA-N,,,,,,,,,,,
100.037.584,241-360-0,17334-58-6,"3,5-bis(ß-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride",3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside chloride,[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O,[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H",C27H31O15.Cl,,,,,,YQGOMJJYIKNHEM-DHJOXOLYSA-M,,,,,,,,,,,
100.034.257,237-698-3,13930-31-9,Oxetacaine hydrochloride,"2,2'-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methylacetamide] hydrochloride",Cl.CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,Cl.CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,"InChI=1/C28H41N3O3.ClH/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24;/h7-16,32H,17-22H2,1-6H3;1H",C28H41N3O3.xClH,,,,,,AFFQPCNKJKMLTE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.112,245-239-3,22811-21-8,6-butyl-6-hydroxydodecan-5-one oxime,6-butyl-6-hydroxydodecan-5-one oxime,CCCCC(=NO)C(O)(CCCC)CCCCCC,CCCCC(=NO)C(O)(CCCC)CCCCCC,"InChI=1/C16H33NO2/c1-4-7-10-11-14-16(18,13-9-6-3)15(17-19)12-8-5-2/h18-19H,4-14H2,1-3H3",C16H33NO2,,,,,,ZNEIASKWUMVQPU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.753,247-044-9,25497-48-7,"N-(2-aminomethylethyl)propane-1,2-diamine","N~1~-(3-aminopropyl)propane-1,2-diamine",CC(N)CNCCCN,CC(N)CNCCCN,"InChI=1/C6H17N3/c1-6(8)5-9-4-2-3-7/h6,9H,2-5,7-8H2,1H3",C6H17N3,,,,,,KLIOZNNMJDDNIF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.754,247-045-4,25498-49-1,[2-(2-methoxymethylethoxy)methylethoxy]propanol,2-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]propan-1-ol,COCC(C)OCC(C)OC(C)CO,COCC(C)OCC(C)OC(C)CO,"InChI=1/C10H22O4/c1-8(5-11)14-10(3)7-13-9(2)6-12-4/h8-11H,5-7H2,1-4H3",C10H22O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13199,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.754,GVZNXUAPPLHUOM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.755,247-047-5,25501-47-7,Ammonium 5-oxo-L-prolinate,ammonium 5-oxopyrrolidine-2-carboxylate,[NH4+].[O-]C(=O)[C@@H]1CCC(=O)N1,[NH4+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.H3N/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);1H3",C5H7NO3.H3N,,,,,,PYJZQCNNPABSAE-DFWYDOINSA-N,,,,,,,,,,,
100.042.757,247-049-6,25503-90-6,1-acetylpiperidine-4-carboxylic acid,1-acetylpiperidine-4-carboxylic acid,CC(=O)N1CCC(CC1)C(=O)O,CC(=O)N1CCC(CC1)C(=O)O,"InChI=1/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)",C8H13NO3,,,,,,WFCLWJHOKCQYOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.771,247-064-8,25517-72-0,3-amino-5-[(methylthio)methyl]oxazolidin-2-one,"3-amino-5-[(methylsulfanyl)methyl]-1,3-oxazolidin-2-one",CSCC1CN(N)C(=O)O1,CSCC1CN(N)C(=O)O1,"InChI=1/C5H10N2O2S/c1-10-3-4-2-7(6)5(8)9-4/h4H,2-3,6H2,1H3",C5H10N2O2S,,,,,,GDNCNUUIRLOZBT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.775,247-069-5,25519-77-1,1-acetyl-4-(4-fluorobenzoyl)piperidine,(1-acetylpiperidin-4-yl)(4-fluorophenyl)methanone,CC(=O)N1CCC(CC1)C(=O)c2ccc(F)cc2,CC(=O)N1CCC(CC1)C(=O)c2ccc(F)cc2,"InChI=1/C14H16FNO2/c1-10(17)16-8-6-12(7-9-16)14(18)11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3",C14H16FNO2,,,,,,JCGSSOIJYPBNJE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.138,235-365-7,12192-57-3,(a-D-glucopyranosylthio)gold,"gold(1+) 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-thiolate (non-preferred name)",OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/rC6H11AuO5S/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2",C6H11AuO5S,,,,,,XHVAWZZCDCWGBK-WYRLRVFGSA-M,,,,,,,,,,,
100.032.152,235-380-9,12202-17-4,Tetralead trioxide sulphate,-,[PbH2+2].[O-]S(=O)(=O)[O-].O=[Pb].O=[Pb].O=[Pb],[PbH2+2].[O-]S(=O)(=O)[O-].O=[Pb].O=[Pb].O=[Pb],"InChI=1/H2O4S.3O.4Pb.2H/c1-5(2,3)4;;;;;;;;;/h(H2,1,2,3,4);;;;;;;;;/q;;;;3*+2;+4;;/p-2/rH2O4S.3OPb.H2Pb/c1-5(2,3)4;3*1-2;/h(H2,1,2,3,4);;;;1H2/q;3*+2;+4/p-2",O7Pb4S,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16167,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.152,BWBGRFBYYWMPNM-UHFFFAOYSA-L,,,,,,,,,,,
100.032.166,235-396-6,12217-34-4,6-amino-5-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-5-({2-[ethyl(phenyl)sulfamoyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid,CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O,CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O,"InChI=1/C24H22N4O6S2/c1-2-28(17-8-4-3-5-9-17)35(30,31)22-11-7-6-10-20(22)26-27-24-19(25)13-12-16-14-18(36(32,33)34)15-21(29)23(16)24/h3-15,29H,2,25H2,1H3,(H,32,33,34)",C24H22N4O6S2,,,,,,RJZLMBIYRSBCDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.170,235-400-6,12217-64-0,"Tetrasodium 7,7'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,3-disulphonate)","tetrasodium 7-({4-[({4-[(6,8-disulfonato-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc3cc4c(cc(cc4cc3)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc3cc4c(cc(cc4cc3)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,"InChI=1/C37H32N6O15S4.4Na/c1-19-9-31(33(57-3)17-29(19)42-40-23-7-5-21-11-25(59(45,46)47)15-35(27(21)13-23)61(51,52)53)38-37(44)39-32-10-20(2)30(18-34(32)58-4)43-41-24-8-6-22-12-26(60(48,49)50)16-36(28(22)14-24)62(54,55)56;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C37H32N6O15S4.4Na,,,,,,DQZDXNOLPPLSFD-UHFFFAOYSA-J,,,,,,,,,,,
100.031.306,234-451-1,12004-20-5,"Aluminium, compound with erbium (2:1)",aluminum - erbium (2:1),[AlH3].[AlH3].[Er],[AlH3].[AlH3].[Er],InChI=1/2Al.Er.6H/q3*+3;;;;;;/r2AlH3.Er/h2*1H3;/q3*+3,Al.Er,,,,,,WFPSGPSQNDPNRL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.313,234-459-5,12004-70-5,"Aluminium, compound with niobium (3:1)",aluminum - niobium (3:1),[AlH3].[AlH3].[AlH3].[Nb],[AlH3].[AlH3].[AlH3].[Nb],InChI=1/3Al.Nb.9H/q3*+3;+2;;;;;;;;;/r3AlH3.Nb/h3*1H3;/q3*+3;+2,Al.Nb,,,,,,FQCDIQGSNCGJQR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.609,236-986-6,13569-60-3,Samarium(3+) perchlorate,samarium(3+) triperchlorate,[Sm+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Sm+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Sm/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Sm,,,,,,YAMIWWIPGQYPFX-UHFFFAOYSA-K,,,,,,,,,,,
100.035.476,239-040-0,14969-56-3,"3,6-bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]xanthylium chloride","3,6-bis(diethylamino)-9-(2-{[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]carbamoyl}phenyl)xanthenium chloride",[Cl-].CCN(CC)c1ccc3c(c1)[o+]c2cc(ccc2c3c4ccccc4C(=O)N=C7/C=C5/Oc8cc(ccc8\\N=C5c6ccccc67)N(CC)CC)N(CC)CC,[Cl-].CCN(CC)c1ccc3c(c1)[o+]c2cc(ccc2c3c4ccccc4C(=O)N=C7/C=C5/Oc8cc(ccc8\N=C5c6ccccc67)N(CC)CC)N(CC)CC,"InChI=1/C48H48N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-30H,7-12H2,1-6H3;1H/q+1;/p-1",C48H48N5O3.Cl,,,,,,UYQVPCFMVWEDCA-UHFFFAOYSA-M,,,,,,,,,,,
100.035.484,239-048-4,14972-76-0,Trisodium hexachlororuthenate,-,[Na+].[Na+].[Na+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,[Na+].[Na+].[Na+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.3Na.Ru/h6*1H;;;;/q;;;;;;3*+1;+6/p-6/rCl6Ru.3Na/c1-7(2,3,4,5)6;;;/q;3*+1",Cl6Ru.3Na,,,,,,PNBGQEIKMUOHTL-UHFFFAOYSA-H,,,,,,,,,,,
100.035.487,239-052-6,14974-48-2,"Oxalic acid, vanadium salt",vanadium(2+) oxalate,[V+2].[O-]C(=O)C(=O)[O-],[V+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.V/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.xV,,,,,,KTWTWVHLJFWEBP-UHFFFAOYSA-L,,,,,,,,,,,
100.035.488,239-053-1,14974-53-9,"1,2,3-propanetriyl tris(mercaptoacetate)","propane-1,2,3-triyl tris(sulfanylacetate)",SCC(=O)OCC(COC(=O)CS)OC(=O)CS,SCC(=O)OCC(COC(=O)CS)OC(=O)CS,"InChI=1/C9H14O6S3/c10-7(3-16)13-1-6(15-9(12)5-18)2-14-8(11)4-17/h6,16-18H,1-5H2",C9H14O6S3,,,,,,VSKAJYQVWVOVRT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.492,239-057-3,14979-11-4,"4,5-dihydroxy-3,6-bis[(4-methyl-2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","4,5-dihydroxy-3,6-bis[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)c4cc(C)ccc4N=Nc1c(O)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccc(C)cc2S(O)(=O)=O)c3O)S(O)(=O)=O,OS(=O)(=O)c4cc(C)ccc4N=Nc1c(O)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccc(C)cc2S(O)(=O)=O)c3O)S(O)(=O)=O,"InChI=1/C24H20N4O14S4/c1-11-3-5-14(16(7-11)43(31,32)33)25-27-21-18(45(37,38)39)9-13-10-19(46(40,41)42)22(24(30)20(13)23(21)29)28-26-15-6-4-12(2)8-17(15)44(34,35)36/h3-10,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)",C24H20N4O14S4,,,,,,KVJXQZRHQQUTSM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.497,239-063-6,14982-80-0,Chromium dichloride hydroxide,-,[OH-].[Cl-].[Cl-].[Cr+2],[OH-].[Cl-].[Cl-].[Cr+2],InChI=1/2ClH.Cr.H2O/h2*1H;;1H2/q;;+2;/p-3,Cl2CrHO,,,,,,IODZZPFSRVECNO-UHFFFAOYSA-K,,,,,,,,,,,
100.035.499,239-065-7,14984-34-0,Sodium D-glucuronate,"sodium 2,3,4,5-tetrahydroxy-6-oxohexanoate (non-preferred name)",[Na+].O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-],[Na+].O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-],"InChI=1/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1",C6H10O7.Na,,,,,,WNFHGZLVUQBPMA-JSCKKFHOSA-M,,,,,,,,,,,
100.037.875,241-680-0,17691-19-9,Sodium 4-chloro-3-nitrobenzenesulphonate,sodium 4-chloro-3-nitrobenzenesulfonate,[Na+].[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)[O-],"InChI=1/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1",C6H4ClNO5S.Na,,,,,,POUGKTDTYSAMAT-UHFFFAOYSA-M,,,,,,,,,,,
100.031.802,234-996-5,12052-70-9,"Cobalt, compound with yttrium (7:2)",cobalt - yttrium (7:2),[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Y].[Y],[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Y].[Y],InChI=1/7Co.2Y/q7*+2;2*+3,Co.Y,,,,,,LOTBRUHLPIJVRR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.812,235-006-4,12054-25-0,"Antimony, compound with copper (1:3)",-,[Cu].[Cu].[Cu].[Sb],[Cu].[Cu].[Cu].[Sb],InChI=1/3Cu.Sb/q3*+1;+3,Cu.Sb,,,,,,BSVOHAWXHKXONS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.814,235-009-0,12054-57-8,Holmium trihydroxide,holmium trihydroxide,[OH-].[OH-].[OH-].[Ho+3],[OH-].[OH-].[OH-].[Ho+3],InChI=1/Ho.3H2O/h;3*1H2/q+3;;;/p-3,H3HoO3,,,,,,LCTWRNOEZKTLGG-UHFFFAOYSA-K,,,,,,,,,,,
100.031.816,235-011-1,12054-72-7,Tin tetrahydroxide,tin(4+) tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Sn+4],[OH-].[OH-].[OH-].[OH-].[Sn+4],InChI=1/4H2O.Sn/h4*1H2;/q;;;;+4/p-4,H4O4Sn,,,,,,CVNKFOIOZXAFBO-UHFFFAOYSA-J,,,,,,,,,,,
100.032.065,235-285-2,12158-74-6,Dicopper hydroxide phosphate,dicopper hydroxide phosphate,[Cu+2].[Cu+2].[OH-].[O-]P([O-])([O-])=O,[Cu+2].[Cu+2].[OH-].[O-]P([O-])([O-])=O,"InChI=1/2Cu.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q2*+2;;/p-4",Cu2HO5P,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5268,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.065,WCMHCPWEQCWRSR-UHFFFAOYSA-J,,,,,,,,,,,
100.032.071,235-292-0,12159-92-1,Lithium hydrogen difluoride,lithium hydrogen difluoride,[Li+].[F-].[F-],[Li+].[F-].[F-],InChI=1/2FH.Li/h2*1H;/q;;+1/p-2,F2HLi,,,,,,ZCMLLZDYDHDKAH-UHFFFAOYSA-L,,,,,,,,,,,
100.038.873,242-777-0,19044-88-3,Oryzalin,"4-(dipropylamino)-3,5-dinitrobenzenesulfonamide",CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-],CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-],"InChI=1/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)",C12H18N4O6S,,,,,,UNAHYJYOSSSJHH-UHFFFAOYSA-N,Positive/Negative,SM846503;EQ309901|EQ309902|EQ309903|EQ309904|EQ309905|EQ309906,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,347.1022:288.0287:305.0552;347.1019:305.0549:247.0131|288.0285:247.0132:263.0081|198.0145:245.9816:240.0615|198.0146:133.0397:117.0572|78.0338:198.0146:133.0397|78.0338:133.0397:117.0572,CASMI_2016;Eawag,SM846552;EQ309951|EQ309952|EQ309953|EQ309954|EQ309955|EQ309956,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,345.0873:281.1255:147.0438;345.0874:281.1256:77.9655|345.0875:281.1255:77.9655|77.9655:174.0672:147.0438|77.9656:116.0255:79.9812|77.9656:79.9812:65.0145|77.9656:61.9706:89.0146,CASMI_2016;Eawag
100.039.010,242-928-0,19262-95-4,"Diphosphoric acid, strontium salt",strontium dihydrogen diphosphate,[Sr+2].OP(=O)(O)OP(=O)([O-])[O-],[Sr+2].OP(=O)(O)OP(=O)([O-])[O-],"InChI=1/H4O7P2.Sr/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);/q;+2/p-2",H4O7P2.xSr,,,,,,MHZILMRCOKYCIX-UHFFFAOYSA-L,,,,,,,,,,,
100.039.018,242-936-4,19283-70-6,"3,4-dimethoxysalicylaldehyde","2-hydroxy-3,4-dimethoxybenzaldehyde",COc1ccc(C=O)c(O)c1OC,COc1ccc(C=O)c(O)c1OC,"InChI=1/C9H10O4/c1-12-7-4-3-6(5-10)8(11)9(7)13-2/h3-5,11H,1-2H3",C9H10O4,,,,,,UIOMNPYQUBMBOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.042,245-163-0,22705-33-5,Bis(dimethylamino)methylsilane,"N,N,N',N'-tetramethyl-1-silylmethanediamine",CN(C)C([SiH3])N(C)C,CN(C)C([SiH3])N(C)C,"InChI=1/C5H16N2Si/c1-6(2)5(8)7(3)4/h5H,1-4,8H3",C5H16N2Si,,,,,,DFWJSTNRZNMYAE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.043,245-164-6,22707-25-1,"Stearic acid, compound with morpholine (1:1)",octadecanoic acid - morpholine (1:1),CCCCCCCCCCCCCCCCCC(=O)O.C1COCCN1,CCCCCCCCCCCCCCCCCC(=O)O.C1COCCN1,"InChI=1/C18H36O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-6-4-2-5-1/h2-17H2,1H3,(H,19,20);5H,1-4H2",C18H36O2.C4H9NO,,,,,,UKVYVYQRDUUCBK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.046,245-167-2,22708-90-3,Dialuminium silicate,dialuminium silicate,[Al+3].[Al+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Al+3].[Al+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Al.3O3Si/c;;3*1-4(2)3/q2*+3;3*-2,Al.1/2H6O7Si2,,,,,,PGZIKUPSQINGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.054,245-176-1,22720-35-0,6-bromo-2-naphthyl ß-D-glucopyranosiduronic acid,6-bromo-2-naphthyl beta-D-glucopyranosiduronic acid,O[C@H]1[C@H](Oc2ccc3cc(Br)ccc3c2)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O,O[C@H]1[C@H](Oc2ccc3cc(Br)ccc3c2)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O,"InChI=1/C16H15BrO7/c17-9-3-1-8-6-10(4-2-7(8)5-9)23-16-13(20)11(18)12(19)14(24-16)15(21)22/h1-6,11-14,16,18-20H,(H,21,22)",C16H15BrO7,,,,,,TYDGGWYIJKMLEO-JHZZJYKESA-N,,,,,,,,,,,
100.041.055,245-177-7,22720-75-8,1-benzo[b]thien-2-ylethan-1-one,1-(1-benzothiophen-2-yl)ethanone,CC(=O)c1cc2ccccc2s1,CC(=O)c1cc2ccccc2s1,"InChI=1/C10H8OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3",C10H8OS,,,,,,SGSGCQGCVKWRNM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.057,245-179-8,22728-89-8,4-methyl hydrogen D-aspartate hydrochloride,2-amino-4-methoxy-4-oxobutanoic acid hydrochloride (non-preferred name),Cl.COC(=O)C[C@@H](N)C(=O)O,Cl.COC(=O)C[C@@H](N)C(=O)O,"InChI=1/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H",C5H9NO4.ClH,,,,,,QRBMPUYOGOCYDJ-AENDTGMFSA-N,,,,,,,,,,,
100.041.059,245-181-9,22733-94-4,Benzyl cyclohexanecarboxylate,benzyl cyclohexanecarboxylate,O=C(OCc1ccccc1)C2CCCCC2,O=C(OCc1ccccc1)C2CCCCC2,"InChI=1/C14H18O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2",C14H18O2,,,,,,MWAICOLEKXKHAY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.044,240-764-4,16714-54-8,Tetrakis(3-methylphenyl) orthosilicate,tetrakis(3-methylphenyl) orthosilicate,Cc1cccc(O[Si](Oc2cccc(C)c2)(Oc3cccc(C)c3)Oc4cccc(C)c4)c1,Cc1cccc(O[Si](Oc2cccc(C)c2)(Oc3cccc(C)c3)Oc4cccc(C)c4)c1,"InChI=1/C28H28O4Si/c1-21-9-5-13-25(17-21)29-33(30-26-14-6-10-22(2)18-26,31-27-15-7-11-23(3)19-27)32-28-16-8-12-24(4)20-28/h5-20H,1-4H3",C28H28O4Si,,,,,,RBFQPMLNHAHWCT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.045,240-766-5,16714-68-4,"1,1,2,2,3-pentachloropropane","1,1,2,2,3-pentachloropropane",ClCC(Cl)(Cl)C(Cl)Cl,ClCC(Cl)(Cl)C(Cl)Cl,"InChI=1/C3H3Cl5/c4-1-3(7,8)2(5)6/h2H,1H2",C3H3Cl5,,,,,,IYFMQUDCYNWFTL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.051,240-772-8,16715-83-6,2-diisopropylaminoethyl methacrylate,2-(diisopropylamino)ethyl methacrylate,CC(C)N(CCOC(=O)C(=C)C)C(C)C,CC(C)N(CCOC(=O)C(=C)C)C(C)C,"InChI=1/C12H23NO2/c1-9(2)12(14)15-8-7-13(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3",C12H23NO2,,,,,,SVYHMICYJHWXIN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.052,240-773-3,16715-89-2,Tin maleate,tin(4+) dibut-2-enedioate,[Sn+4].[O-]C(=O)\\C=C/C(=O)[O-].[O-]C(=O)\\C=C/C(=O)[O-],[Sn+4].[O-]C(=O)\C=C/C(=O)[O-].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/2C4H4O4.Sn/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);/q;;+4/p-4",C4H4O4.Sn,,,,,,AJDTZVRPEPFODZ-PAMPIZDHSA-J,,,,,,,,,,,
100.037.056,240-778-0,16721-80-5,Sodium hydrogensulphide,sodium hydrosulfide,[Na]S,[Na]S,InChI=1/Na.H2S/h;1H2/q+1;/p-1/rHNaS/c1-2/h2H,HNaS,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15390,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.056,HYHCSLBZRBJJCH-UHFFFAOYSA-M,,,,,,,,,,,
100.037.064,240-786-4,16728-00-0,1-(4-methoxyphenyl)cyclopropane-1-carbonitrile,1-(4-methoxyphenyl)cyclopropanecarbonitrile,COc1ccc(cc1)C2(CC2)C#N,COc1ccc(cc1)C2(CC2)C#N,"InChI=1/C11H11NO/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-7H2,1H3",C11H11NO,,,,,,OIQRGAQXQLASRC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.068,240-791-1,16728-52-2,3-(cyclohexyloxy)propiononitrile,3-(cyclohexyloxy)propanenitrile,N#CCCOC1CCCCC1,N#CCCOC1CCCCC1,"InChI=1/C9H15NO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-6,8H2",C9H15NO,,,,,,KIYRTZOGFLTVIC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.074,240-797-4,16732-66-4,2-bromophenylhydrazine,(2-bromophenyl)hydrazine,NNc1ccccc1Br,NNc1ccccc1Br,"InChI=1/C6H7BrN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2",C6H7BrN2,,,,,,ZWMQVBSLMQSMDH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.075,240-799-5,16732-75-5,6-chloro-1H-indole-2-carboxylic acid,6-chloro-1H-indole-2-carboxylic acid,OC(=O)c1cc2ccc(Cl)cc2[nH]1,OC(=O)c1cc2ccc(Cl)cc2[nH]1,"InChI=1/C9H6ClNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)",C9H6ClNO2,,,,,,BKPSJOSKWKTWAG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.079,240-804-0,16744-98-2,2-fluorophenyl isocyanate,1-fluoro-2-isocyanatobenzene,Fc1ccccc1N=C=O,Fc1ccccc1N=C=O,InChI=1/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,C7H4FNO,,,,,,VZNCSZQPNIEEMN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.265,237-707-0,13933-52-3,Sodium hydrogen phosphonate,sodium hydrogen phosphonate,[Na+].[O-]P(=O)[O-],[Na+].[O-]P(=O)[O-],"InChI=1/Na.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3)/q+1;/p-2",H3O3P.Na,,,,,,FCOCXFOQAWJIIT-UHFFFAOYSA-L,,,,,,,,,,,
100.034.266,237-708-6,13933-75-0,"(20R)-5a-pregnane-3a,17,20-triol","pregnane-3,17,20-triol",C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3",C21H36O3,,,,,,SCPADBBISMMJAW-MUHHAPIYSA-N,,,,,,,,,,,
100.034.284,237-728-5,13947-20-1,"2-(hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","2-(hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide",OCN1C(=O)c2ccccc2S1(=O)=O,OCN1C(=O)c2ccccc2S1(=O)=O,"InChI=1/C8H7NO4S/c10-5-9-8(11)6-3-1-2-4-7(6)14(9,12)13/h1-4,10H,5H2",C8H7NO4S,,,,,,PZWPTWZDBJUEMM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.285,237-729-0,13947-96-1,1-(trichloromethyl)-4-(trifluoromethyl)benzene,1-(trichloromethyl)-4-(trifluoromethyl)benzene,FC(F)(F)c1ccc(cc1)C(Cl)(Cl)Cl,FC(F)(F)c1ccc(cc1)C(Cl)(Cl)Cl,"InChI=1/C8H4Cl3F3/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H",C8H4Cl3F3,,,,,,NTFZDVDWIVFEEI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.290,237-734-8,13956-07-5,1-(7-methoxy-10-methyl-10H-phenothiazin-2-yl)ethan-1-one,1-(7-methoxy-10-methyl-10H-phenothiazin-2-yl)ethanone,COc1ccc2N(C)c3cc(ccc3Sc2c1)C(=O)C,COc1ccc2N(C)c3cc(ccc3Sc2c1)C(=O)C,"InChI=1/C16H15NO2S/c1-10(18)11-4-7-15-14(8-11)17(2)13-6-5-12(19-3)9-16(13)20-15/h4-9H,1-3H3",C16H15NO2S,,,,,,QXVDHAIQERTYOP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.292,237-736-9,13957-36-3,Meladrazine,"N,N,N',N'-tetraethyl-6-hydrazino-1,3,5-triazine-2,4-diamine",CCN(CC)c1nc(NN)nc(n1)N(CC)CC,CCN(CC)c1nc(NN)nc(n1)N(CC)CC,"InChI=1/C11H23N7/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4/h5-8,12H2,1-4H3,(H,13,14,15,16)",C11H23N7,,,,,,IRQOBYXMACIFKD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.293,237-737-4,13957-38-5,Hydrobentizide,"3-[(benzylsulfanyl)methyl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(NC(CSCc3ccccc3)NS2(=O)=O)cc1Cl,NS(=O)(=O)c1cc2c(NC(CSCc3ccccc3)NS2(=O)=O)cc1Cl,"InChI=1/C15H16ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7,15,18-19H,8-9H2,(H2,17,20,21)",C15H16ClN3O4S3,,,,,,ZUNJWRJEKCRIMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.297,237-742-1,13963-58-1,Tripotassium hexacyanocobaltate,tripotassium hexakis(cyano-kappaC)cobaltate(3-),[K+].[K+].[K+].N#C[Co-3](C#N)(C#N)(C#N)(C#N)C#N,[K+].[K+].[K+].N#C[Co-3](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Co.3K/c6*1-2;;;;/q;;;;;;-3;3*+1/rC6CoN6.3K/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;/q-3;3*+1",C6CoN6.3K,,,,,,VSUFNKULKBVQQW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.302,237-747-9,13967-25-4,Dimercury difluoride,difluorodimercury(Hg-Hg),F[Hg][Hg]F,F[Hg][Hg]F,InChI=1/2FH.2Hg/h2*1H;;/q;;2*+1/p-2/rF2Hg2/c1-3-4-2,F2Hg2,,,,,,FQZUXVBMUHSNRN-UHFFFAOYSA-L,,,,,,,,,,,
100.037.663,241-446-8,17420-30-3,2-amino-5-nitrobenzonitrile,2-amino-5-nitrobenzonitrile,Nc1ccc(cc1C#N)[N+](=O)[O-],Nc1ccc(cc1C#N)[N+](=O)[O-],"InChI=1/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2",C7H5N3O2,,,,,,MGCGMYPNXAFGFA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.666,241-449-4,17422-33-2,6-chloro-1H-indole,6-chloro-1H-indole,Clc1ccc2cc[nH]c2c1,Clc1ccc2cc[nH]c2c1,"InChI=1/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H",C8H6ClN,,,,,,YTYIMDRWPTUAHP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.667,241-451-5,17422-74-1,4-oxo-4H-1-benzopyran-3-carboxaldehyde,4-oxo-4H-chromene-3-carbaldehyde,O=CC1=COc2ccccc2C1=O,O=CC1=COc2ccccc2C1=O,InChI=1/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H,C10H6O3,,,,,,FSMYWBQIMDSGQP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.669,241-453-6,17427-62-2,"1-hydroxy-4-sulphonatonaphthalene-2-diazonium, sodium salt",-,[Na+].Oc1c(cc(c2ccccc12)S(=O)(=O)[O-])[N+]#N,[Na+].Oc1c(cc(c2ccccc12)S(=O)(=O)[O-])[N+]#N,"InChI=1/C10H6N2O4S.Na/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13;/h1-5H,(H-,13,14,15,16);/q;+1",C10H6N2O4S.Na,,,,,,FQWQNAFHLYNZMF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.671,241-455-7,17429-10-6,Butyl 1H-indole-3-acetate,butyl 1H-indol-3-ylacetate,CCCCOC(=O)Cc1c[nH]c2ccccc12,CCCCOC(=O)Cc1c[nH]c2ccccc12,"InChI=1/C14H17NO2/c1-2-3-8-17-14(16)9-11-10-15-13-7-5-4-6-12(11)13/h4-7,10,15H,2-3,8-9H2,1H3",C14H17NO2,,,,,,GRFMAWCPVKWLFE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.674,241-458-3,17438-14-1,"Dimethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",COC(=O)C1=C(C)NC(=C(C1)C(=O)OC)C,COC(=O)C1=C(C)NC(=C(C1)C(=O)OC)C,"InChI=1/C11H15NO4/c1-6-8(10(13)15-3)5-9(7(2)12-6)11(14)16-4/h12H,5H2,1-4H3",C11H15NO4,,,,,,FKDYIXOYTANTSV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.130,238-659-3,14620-52-1,"1,1-dimethoxydodecane","1,1-dimethoxydodecane",CCCCCCCCCCCC(OC)OC,CCCCCCCCCCCC(OC)OC,"InChI=1/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h14H,4-13H2,1-3H3",C14H30O2,,,,,,AJUWUYJULVYGRA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.131,238-660-9,14620-72-5,Dimethyl adipimidate dihydrochloride,methyl 6-imino-6-methoxyhexanoate dihydrochloride,Cl.Cl.COC(=N)CCCCC(=O)OC,Cl.Cl.COC(=N)CCCCC(=O)OC,"InChI=1/C8H15NO3.2ClH/c1-11-7(9)5-3-4-6-8(10)12-2;;/h9H,3-6H2,1-2H3;2*1H",C8H16N2O2.2ClH,,,,,,USJGNXOGMQYIEV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.133,238-663-5,14622-13-0,Lithium laurate,lithium laurate,[Li+].CCCCCCCCCCCC(=O)[O-],[Li+].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1",C12H24O2.Li,,,,,,AZEPWULHRMVZQR-UHFFFAOYSA-M,,,,,,,,,,,
100.035.139,238-669-8,14628-80-9,"1,1-diethylbiuret","N,N-diethyldicarbonimidic diamide",CCN(CC)C(=O)NC(=O)N,CCN(CC)C(=O)NC(=O)N,"InChI=1/C6H13N3O2/c1-3-9(4-2)6(11)8-5(7)10/h3-4H2,1-2H3,(H3,7,8,10,11)",C6H13N3O2,,,,,,INJNMKQLHWZRQR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.783,247-077-9,25526-04-9,3-mercapto-L-valine hydrochloride,3-sulfanyl-L-valine hydrochloride,Cl.CC(C)(S)[C@H](N)C(=O)O,Cl.CC(C)(S)[C@H](N)C(=O)O,"InChI=1/C5H11NO2S.ClH/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);1H",C5H11NO2S.ClH,,,,,,CZDHUFYOXKHLME-AENDTGMFSA-N,,,,,,,,,,,
100.042.788,247-083-1,25537-17-1,"(1-hydroxyethylidene)bisphosphonic acid, zinc salt","mu-{[1-hydroxy-1-(phosphono-1kappa~2~O,O')ethyl]phosphonato(4-)-2kappa~2~O,O'}dizinc (non-preferred name)",CC(O)(P1(=O)O[Zn]O1)P2(=O)O[Zn]O2,CC(O)(P1(=O)O[Zn]O1)P2(=O)O[Zn]O2,"InChI=1/C2H8O7P2.2Zn/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+2/p-4/rC2H4O7P2Zn2/c1-2(3,10(4)6-12-7-10)11(5)8-13-9-11/h3H,1H3",C2H8O7P2.xZn,,,,,,DAZWREBGAMCVCM-UHFFFAOYSA-J,,,,,,,,,,,
100.042.793,247-088-9,25545-89-5,Ammonium naphthalene-1-acetate,ammonium 1-naphthylacetate,[NH4+].[O-]C(=O)Cc1cccc2ccccc12,[NH4+].[O-]C(=O)Cc1cccc2ccccc12,"InChI=1/C12H10O2.H3N/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);1H3",C12H10O2.H3N,,,,,,DFJCVWWLYPHXNW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.796,247-092-0,25549-16-0,Triisooctylamine,"6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine",CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C,CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C,"InChI=1/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3",C24H51N,,,,,,YKGBNAGNNUEZQC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.807,247-103-9,25561-30-2,"Trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate","trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethanimidoate",C[Si](C)(C)OC(=N[Si](C)(C)C)C(F)(F)F,C[Si](C)(C)OC(=N[Si](C)(C)C)C(F)(F)F,"InChI=1/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3",C8H18F3NOSi2,,,,,,XCOBLONWWXQEBS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.811,247-108-6,25567-40-2,tert-butyl-p-cresol,2-tert-butyl-4-methylphenol,Cc1ccc(O)c(c1)C(C)(C)C,Cc1ccc(O)c(c1)C(C)(C)C,"InChI=1/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3",C11H16O,,,,,,IKEHOXWJQXIQAG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.187,235-418-4,12223-39-1,2-[[4-[(2-cyano-3-nitrophenyl)azo]phenyl](2-cyanoethyl)amino]ethyl acetate,2-[(2-cyanoethyl){4-[(2-cyano-3-nitrophenyl)diazenyl]phenyl}amino]ethyl acetate,CC(=O)OCCN(CCC#N)c2ccc(N=Nc1cccc(c1C#N)[N+]([O-])=O)cc2,CC(=O)OCCN(CCC#N)c2ccc(N=Nc1cccc(c1C#N)[N+]([O-])=O)cc2,"InChI=1/C20H18N6O4/c1-15(27)30-13-12-25(11-3-10-21)17-8-6-16(7-9-17)23-24-19-4-2-5-20(26(28)29)18(19)14-22/h2,4-9H,3,11-13H2,1H3",C20H18N6O4,,,,,,KJMUBSSUUPGGDY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.190,235-422-6,12224-02-1,"Tetrasodium 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].OCCN(CCO)c1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)[O-])nc(n5)N(CCO)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].OCCN(CCO)c1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)[O-])nc(n5)N(CCO)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C40H44N12O16S4.4Na/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62;;;;/h1-12,21-24,53-56H,13-20H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4",C40H44N12O16S4.4Na,,,,,,FUFMEQTUGKXEQF-YZNHWISSSA-J,,,,,,,,,,,
100.032.194,235-426-8,12225-08-0,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2,5-dimethoxy-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide","4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",CNS(=O)(=O)c1cc(OC)c(cc1OC)N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3,CNS(=O)(=O)c1cc(OC)c(cc1OC)N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3,"InChI=1/C27H24N6O7S/c1-28-41(37,38)23-13-21(39-2)20(12-22(23)40-3)32-33-24-16-7-5-4-6-14(16)10-17(25(24)34)26(35)29-15-8-9-18-19(11-15)31-27(36)30-18/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)",C27H24N6O7S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10181,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.194,UYYYMGPWQPIMAL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.019,242-938-5,19284-13-0,a-allyloxyhydratropamide,2-(allyloxy)-2-phenylpropanamide,CC(OCC=C)(C(=O)N)c1ccccc1,CC(OCC=C)(C(=O)N)c1ccccc1,"InChI=1/C12H15NO2/c1-3-9-15-12(2,11(13)14)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H2,13,14)",C12H15NO2,,,,,,SEQVAKULKNLKNI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.021,242-940-6,19287-45-7,Diborane(6),-,B.B,B.B,InChI=1/2BH3/h2*1H3,B2H6,,,,,,NTJHUEGHVSASEP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.022,242-941-1,19287-89-9,"Sulphuric acid, silver salt",silver(1+) hydrogen sulfate,[Ag+].OS(=O)(=O)[O-],[Ag+].OS(=O)(=O)[O-],"InChI=1/Ag.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",Ag.xH2O4S,,,,,,QTKDGWAHANSHNE-UHFFFAOYSA-M,,,,,,,,,,,
100.039.027,242-946-9,19293-52-8,"1,3-diphenylpropane-1,3-diamine","1,3-diphenylpropane-1,3-diamine",NC(CC(N)c1ccccc1)c2ccccc2,NC(CC(N)c1ccccc1)c2ccccc2,"InChI=1/C15H18N2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10,14-15H,11,16-17H2",C15H18N2,,,,,,ILDQIFPNBGCLRH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.032,242-952-1,19307-28-9,Tin bis(sulphate),tin(4+) disulfate,[Sn+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Sn+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2H2O4S.Sn/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/q;;+4/p-4",H2O4S.1/2Sn,,,,,,FAKFSJNVVCGEEI-UHFFFAOYSA-J,,,,,,,,,,,
100.039.036,242-956-3,19316-72-4,Ethoxybornane,"2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane",CCOC1CC2CCC1(C)C2(C)C,CCOC1CC2CCC1(C)C2(C)C,"InChI=1/C12H22O/c1-5-13-10-8-9-6-7-12(10,4)11(9,2)3/h9-10H,5-8H2,1-4H3",C12H22O,,,,,,FTRQTUIGTQZQBL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.038,242-958-4,19321-38-1,Sodium mentholate,sodium 5-isopropyl-2-methylcyclohexanolate,CC(C)C1CCC(C)C(C1)O[Na],CC(C)C1CCC(C)C(C1)O[Na],"InChI=1/C10H19O.Na/c1-7(2)9-5-4-8(3)10(11)6-9;/h7-10H,4-6H2,1-3H3;/q-1;+1/rC10H19NaO/c1-7(2)9-5-4-8(3)10(6-9)12-11/h7-10H,4-6H2,1-3H3",C10H20O.Na,,,,,,BEOYQTWZGYHQRO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.039,242-960-5,19321-40-5,Pentaerythritol tetraoleate,"3-(oleoyloxy)-2,2-bis[(oleoyloxy)methyl]propyl octadec-9-enoate (non-preferred name)",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\\C=C/CCCCCCCC)(COC(=O)CCCCCCC\\C=C/CCCCCCCC)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C77H140O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3",C77H140O8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12758,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.039,QTIMEBJTEBWHOB-PMDAXIHYSA-N,,,,,,,,,,,
100.039.042,242-963-1,19326-49-9,Lithium trichloroacetate,lithium trichloroacetate,[Li+].[O-]C(=O)C(Cl)(Cl)Cl,[Li+].[O-]C(=O)C(Cl)(Cl)Cl,"InChI=1/C2HCl3O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",C2HCl3O2.Li,,,,,,HOIXWIJGBXDJIX-UHFFFAOYSA-M,,,,,,,,,,,
100.039.043,242-964-7,19327-23-2,Sodium 2-hydroxydodecane-1-sulphonate,sodium 2-hydroxydodecane-1-sulfonate,[Na+].CCCCCCCCCCC(O)CS(=O)(=O)[O-],[Na+].CCCCCCCCCCC(O)CS(=O)(=O)[O-],"InChI=1/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-12(13)11-17(14,15)16;/h12-13H,2-11H2,1H3,(H,14,15,16);/q;+1/p-1",C12H26O4S.Na,,,,,,YRYGQUYZXADJLY-UHFFFAOYSA-M,,,,,,,,,,,
100.037.882,241-687-9,17692-54-5,Mitoclomine,"N,N-bis(2-chloroethyl)-4-methoxy-3-methylnaphthalen-1-amine",COc1c(C)cc(N(CCCl)CCCl)c2ccccc12,COc1c(C)cc(N(CCCl)CCCl)c2ccccc12,"InChI=1/C16H19Cl2NO/c1-12-11-15(19(9-7-17)10-8-18)13-5-3-4-6-14(13)16(12)20-2/h3-6,11H,7-10H2,1-2H3",C16H19Cl2NO,,,,,,CLZXREZAEIUCGG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.883,241-688-4,17692-63-6,Oxitefonium bromide,"N,N-diethyl-2-[2-hydroxy(phenyl)2-thienylacetoxy]-N-methylethanaminium bromide",[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c2cccs2,[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c2cccs2,"InChI=1/C19H26NO3S.BrH/c1-4-20(3,5-2)13-14-23-18(21)19(22,17-12-9-15-24-17)16-10-7-6-8-11-16;/h6-12,15,22H,4-5,13-14H2,1-3H3;1H/q+1;/p-1",C19H26NO3S.Br,,,,,,QTBFZNSOXHKZOD-UHFFFAOYSA-M,,,,,,,,,,,
100.037.884,241-690-5,17692-71-6,Vanitiolide,2-methoxy-4-(morpholin-4-ylcarbonothioyl)phenol,COc1cc(ccc1O)C(=S)N2CCOCC2,COc1cc(ccc1O)C(=S)N2CCOCC2,"InChI=1/C12H15NO3S/c1-15-11-8-9(2-3-10(11)14)12(17)13-4-6-16-7-5-13/h2-3,8,14H,4-7H2,1H3",C12H15NO3S,,,,,,WQYRHRAZNNRDIA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.886,241-692-6,17694-68-7,3-(bromoacetyl)pyridinium bromide,3-(bromoacetyl)pyridinium bromide,[Br-].BrCC(=O)c1ccc[nH+]c1,[Br-].BrCC(=O)c1ccc[nH+]c1,"InChI=1/C7H6BrNO.BrH/c8-4-7(10)6-2-1-3-9-5-6;/h1-3,5H,4H2;1H",C7H6BrNO.BrH,,,,,,WDTSYONULAZKIE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.889,241-695-2,17695-48-6,4-methyl-2-oxo-2H-1-benzopyran-7-yl palmitate,4-methyl-2-oxo-2H-chromen-7-yl palmitate,CCCCCCCCCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCCCCCCCCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C26H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27)29-22-17-18-23-21(2)19-26(28)30-24(23)20-22/h17-20H,3-16H2,1-2H3",C26H38O4,,,,,,QKQVFFACWLFRRX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.894,241-700-8,17696-94-5,Ethyl 3-(N-phenylcarbamoyl)carbazate,ethyl 2-(phenylcarbamoyl)hydrazinecarboxylate,CCOC(=O)NNC(=O)Nc1ccccc1,CCOC(=O)NNC(=O)Nc1ccccc1,"InChI=1/C10H13N3O3/c1-2-16-10(15)13-12-9(14)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,15)(H2,11,12,14)",C10H13N3O3,,,,,,ZNRQNLRWXBDXBE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.898,241-705-5,17700-09-3,"4-nitro-1,2,3-trichlorobenzene","1,2,3-trichloro-4-nitrobenzene",[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,InChI=1/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,C6H2Cl3NO2,,,,,,BGKIECJVXXHLDP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.911,241-719-1,17716-89-1,Pranosal,"3-(2,5-dimethylpyrrolidin-1-yl)propyl salicylate",CC1CCC(C)N1CCCOC(=O)c2ccccc2O,CC1CCC(C)N1CCCOC(=O)c2ccccc2O,"InChI=1/C16H23NO3/c1-12-8-9-13(2)17(12)10-5-11-20-16(19)14-6-3-4-7-15(14)18/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3",C16H23NO3,,,,,,TVNKQHWRADJSQD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.912,241-720-7,17722-17-7,N-(4-chlorophenyl)-2-cyanoacetamide,N-(4-chlorophenyl)-2-cyanoacetamide,Clc1ccc(NC(=O)CC#N)cc1,Clc1ccc(NC(=O)CC#N)cc1,"InChI=1/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)",C9H7ClN2O,,,,,,FLLVVAHFEBGZKD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.919,241-728-0,17736-20-8,"3a,17,21-trihydroxy-5ß-pregnane-11,20-dione 21-acetate","3,17-dihydroxy-11,20-dioxopregnan-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C23H34O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14-17,20,25,28H,4-12H2,1-3H3",C23H34O6,,,,,,MULICLCRGFYQJF-LLTWYMBTSA-N,,,,,,,,,,,
100.037.924,241-733-8,17741-62-7,"4-[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]thiomorpholine 1,1-dioxide","4-{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}thiomorpholine 1,1-dioxide",O=S1(=O)CCN(CC1)c3ccc(N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O)cc3,O=S1(=O)CCN(CC1)c3ccc(N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O)cc3,"InChI=1/C16H14Cl2N4O4S/c17-14-9-13(22(23)24)10-15(18)16(14)20-19-11-1-3-12(4-2-11)21-5-7-27(25,26)8-6-21/h1-4,9-10H,5-8H2",C16H14Cl2N4O4S,,,,,,LDQKKASRFRIRPV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.827,235-023-7,12057-74-8,Trimagnesium diphosphide,-,[Mg+2].[Mg+2].[Mg+2].[PH6-3].[PH6-3],[Mg+2].[Mg+2].[Mg+2].[PH6-3].[PH6-3],InChI=1/3Mg.2H6P/h;;;2*1H6/q3*+2;2*-3,Mg3P2,,,,,,BNEOIYFHRHMQFT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.835,235-032-6,12058-86-5,"Antimony, compound with sodium (1:3)",-,[NaH].[NaH].[NaH].[Sb],[NaH].[NaH].[NaH].[Sb],InChI=1/3Na.Sb.3H/q3*+1;+3;;;/r3HNa.Sb/h3*1H;/q3*+1;+3,Na.Sb,,,,,,JSRPKCRPMICJAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.848,235-046-2,12062-13-4,Ammonium hexafluoroniobate(1-),ammonium hexafluoroniobate(1-),[NH4+].F[Nb-](F)(F)(F)(F)F,[NH4+].F[Nb-](F)(F)(F)(F)F,"InChI=1/6FH.H3N.Nb/h6*1H;1H3;/q;;;;;;;+5/p-5/rF6Nb.H3N/c1-7(2,3,4,5)6;/h;1H3/q-1;/p+1",F6Nb.H4N,,,,,,SKIHFCFFRXCIJA-UHFFFAOYSA-I,,,,,,,,,,,
100.031.867,235-067-7,12065-90-6,Pentalead tetraoxide sulphate,-,[O-2].[O-2].[O-2].[O-2].[Pb+2].[Pb+2].[Pb+2].[Pb+2].[Pb+2].[O-]S([O-])(=O)=O,[O-2].[O-2].[O-2].[O-2].[Pb+2].[Pb+2].[Pb+2].[Pb+2].[Pb+2].[O-]S([O-])(=O)=O,"InChI=1/H2O4S.4O.5Pb.10H/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;/h(H2,1,2,3,4);;;;;;;;;;;;;;;;;;;/q;4*-2;5*+4;;;;;;;;;;/p-2/rH2O4S.4O.5H2Pb/c1-5(2,3)4;;;;;;;;;/h(H2,1,2,3,4);;;;;5*1H2/q;4*-2;5*+4/p-2",O8Pb5S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15913,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.867,CGYVTNGIAGITCC-UHFFFAOYSA-L,,,,,,,,,,,
100.032.116,235-341-6,12175-27-8,"Dysprosium, compound with nickel (1:2)",dysprosium - nickel (1:2),[Ni].[Ni].[Dy],[Ni].[Ni].[Dy],InChI=1/Dy.2Ni/q+3;2*+2,Dy.Ni,,,,,,JEDNIMOZCRYAMS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.121,235-346-3,12182-58-0,"Cerium, compound with iron (2:17)",cerium - iron (2:17),[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Ce].[Ce],[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Ce].[Ce],InChI=1/2Ce.17Fe/q2*+3;17*+2,Ce.Fe,,,,,,GSVIBLVMWGSPRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.633,237-012-2,13580-38-6,"3-(2-propynyloxy)propane-1,2-diol","3-(prop-2-yn-1-yloxy)propane-1,2-diol",OCC(O)COCC#C,OCC(O)COCC#C,"InChI=1/C6H10O3/c1-2-3-9-5-6(8)4-7/h1,6-8H,3-5H2",C6H10O3,,,,,,WZGADLPIFFITSG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.049,242-971-5,19335-11-6,Indazol-5-ylamine,2H-indazol-5-amine,Nc1ccc2n[nH]cc2c1,Nc1ccc2n[nH]cc2c1,"InChI=1/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)",C7H7N3,,,,,,XBTOSRUBOXQWBO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.051,242-973-6,19340-56-8,3-butyldihydrofuran-2(3H)-one,3-butyldihydrofuran-2(3H)-one,CCCCC1CCOC1=O,CCCCC1CCOC1=O,"InChI=1/C8H14O2/c1-2-3-4-7-5-6-10-8(7)9/h7H,2-6H2,1H3",C8H14O2,,,,,,GNGUMAGSNTVFLB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.055,242-977-8,19343-78-3,"1,2,3,4-tetrahydro-4-methylquinoline","4-methyl-1,2,3,4-tetrahydroquinoline",CC1CCNc2ccccc12,CC1CCNc2ccccc12,"InChI=1/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3",C10H13N,,,,,,OXNZWCYNCDWCJA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.056,242-978-3,19344-29-7,3-[(2-hydroxyethyl)amino]propanol,3-[(2-hydroxyethyl)amino]propan-1-ol,OCCCNCCO,OCCCNCCO,"InChI=1/C5H13NO2/c7-4-1-2-6-3-5-8/h6-8H,1-5H2",C5H13NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17126,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.056,IFPJFPROEPHIMI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.057,242-979-9,19347-73-0,6-chlorohexanoyl chloride,6-chlorohexanoyl chloride,ClCCCCCC(=O)Cl,ClCCCCCC(=O)Cl,InChI=1/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2,C6H10Cl2O,,,,,,WZILXAPNPKMOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.080,240-805-6,16746-86-4,"2,3-dimethylhex-1-ene","2,3-dimethylhex-1-ene",CCCC(C)C(=C)C,CCCC(C)C(=C)C,"InChI=1/C8H16/c1-5-6-8(4)7(2)3/h8H,2,5-6H2,1,3-4H3",C8H16,,,,,,LVLXQRZPKUFJJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.047,234-165-7,10576-12-2,Ethyl N-hydroxyacetimidate,ethyl N-hydroxyethanimidoate,CC(OCC)=NO,CC(OCC)=NO,"InChI=1/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3",C4H9NO2,,,,,,QWKAVVNRCKPKNM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.049,234-167-8,10578-12-8,"2,2'-(p-tolylimino)dipropanol","2,2'-[(4-methylphenyl)imino]dipropan-1-ol",CC(CO)N(C(C)CO)c1ccc(C)cc1,CC(CO)N(C(C)CO)c1ccc(C)cc1,"InChI=1/C13H21NO2/c1-10-4-6-13(7-5-10)14(11(2)8-15)12(3)9-16/h4-7,11-12,15-16H,8-9H2,1-3H3",C13H21NO2,,,,,,NUAIBPOSHMRLSK-UHFFFAOYSA-N,,,,,,,,,,,
100.031.054,234-173-0,10579-93-8,"[1S-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene","4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene",CC1=CCCC(=C)C2CC(C)(C)C2CC1,CC1=CCCC(=C)C2CC(C)(C)C2CC1,"InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3",C15H24,,,,,,NPNUFJAVOOONJE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.056,234-175-1,10580-25-3,Citronellyl hexanoate,"3,7-dimethyloct-6-en-1-yl hexanoate",CCCCCC(=O)OCCC(C)CCC=C(C)C,CCCCCC(=O)OCCC(C)CCC=C(C)C,"InChI=1/C16H30O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,15H,5-8,10-13H2,1-4H3",C16H30O2,,,,,,KNYRCCKTQMBSFP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.057,234-176-7,10580-52-6,Vanadium dichloride,vanadium(2+) dichloride,[Cl-].[Cl-].[V+2],[Cl-].[Cl-].[V+2],InChI=1/2ClH.V/h2*1H;/q;;+2/p-2,Cl2V,,,,,,ITAKKORXEUJTBC-UHFFFAOYSA-L,,,,,,,,,,,
100.031.058,234-177-2,10580-65-1,[(nonyloxy)methyl]oxirane,2-[(nonyloxy)methyl]oxirane,CCCCCCCCCOCC1CO1,CCCCCCCCCOCC1CO1,"InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-13-10-12-11-14-12/h12H,2-11H2,1H3",C12H24O2,,,,,,KEKXMAURKVLACV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.070,234-190-3,"7789-12-0, 10588-01-9",Sodium dichromate,-,[Na+].[Na+].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-],[Na+].[Na+].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-],"InChI=1/2Cr.2Na.7O/q;;2*+1;;;;;;2*-1/rCr2O7.2Na/c3-1(4,5)9-2(6,7)8;;/q-2;2*+1",Cr2H2O7.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15319,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.070,KIEOKOFEPABQKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.082,234-203-2,10595-45-6,N-[2-(diethylamino)ethyl]acrylamide,N-[2-(diethylamino)ethyl]acrylamide,CCN(CC)CCNC(=O)C=C,CCN(CC)CCNC(=O)C=C,"InChI=1/C9H18N2O/c1-4-9(12)10-7-8-11(5-2)6-3/h4H,1,5-8H2,2-3H3,(H,10,12)",C9H18N2O,,,,,,CXSANWNPQKKNJO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.083,234-204-8,10595-49-0,Methyl trimethyl-3-[(1-oxododecyl)amino]propylammonium sulphate,"3-(dodecanoylamino)-N,N,N-trimethylpropan-1-aminium methyl sulfate",CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C18H38N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(2,3)4;1-5-6(2,3)4/h5-17H2,1-4H3;1H3,(H,2,3,4)",C18H39N2O.CH3O4S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11800,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.083,LTERAWRIKDPXBF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.086,234-207-4,10595-80-9,Sulphoethyl methacrylate,1-(methacryloyloxy)ethanesulfonic acid,CC(OC(=O)C(=C)C)S(=O)(=O)O,CC(OC(=O)C(=C)C)S(=O)(=O)O,"InChI=1/C6H10O5S/c1-4(2)6(7)11-5(3)12(8,9)10/h5H,1H2,2-3H3,(H,8,9,10)",C6H10O5S,,,,,,DDFZXEVRGBYWSN-UHFFFAOYSA-N,,,,,,,,,,,
100.031.089,234-211-6,10596-16-4,Tetrakis(1-methylethyl) ethylidenebisphosphonate,"tetraisopropyl ethane-1,1-diylbis(phosphonate)",CC(C)OP(=O)(OC(C)C)C(C)P(=O)(OC(C)C)OC(C)C,CC(C)OP(=O)(OC(C)C)C(C)P(=O)(OC(C)C)OC(C)C,"InChI=1/C14H32O6P2/c1-10(2)17-21(15,18-11(3)4)14(9)22(16,19-12(5)6)20-13(7)8/h10-14H,1-9H3",C14H32O6P2,,,,,,OXOGLFBPOCMQCA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.997,235-210-3,12133-32-3,"Calcium, compound with magnesium (1:2)",calcium - magnesium (1:2),[MgH2].[MgH2].[CaH2],[MgH2].[MgH2].[CaH2],InChI=1/Ca.2Mg.6H/q3*+2;;;;;;/rCaH2.2H2Mg/h3*1H2/q3*+2,Ca.Mg,,,,,,QIENZEGUIOCGGR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.507,236-874-7,13529-74-3,Indium(3+) perchlorate,indium triperchlorate,[In+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[In+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.In/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3In,,,,,,TWFKOYFJBHUHCH-UHFFFAOYSA-K,,,,,,,,,,,
100.033.510,236-877-3,13530-57-9,Aluminium rubidium bis(sulphate),aluminium rubidium bis(sulphate),[Al+3].[Rb+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Al+3].[Rb+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Al.2H2O4S.Rb/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);/q+3;;;+1/p-4",Al.2H2O4S.Rb,,,,,,QAFATHSWTJYDJP-UHFFFAOYSA-J,,,,,,,,,,,
100.033.517,236-885-7,13532-94-0,2-butoxyethyl methacrylate,2-butoxyethyl methacrylate,CCCCOCCOC(=O)C(=C)C,CCCCOCCOC(=O)C(=C)C,"InChI=1/C10H18O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h2,4-8H2,1,3H3",C10H18O3,,,,,,DJKKWVGWYCKUFC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.520,236-888-3,13533-08-9,Oleyl methacrylate,octadec-9-en-1-yl methacrylate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)C(=C)C,CCCCCCCC\C=C/CCCCCCCCOC(=O)C(=C)C,"InChI=1/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h11-12H,2,4-10,13-20H2,1,3H3",C22H40O2,,,,,,BXOBFMUWVVHLFK-QXMHVHEDSA-N,,,,,,,,,,,
100.033.523,236-892-5,13534-87-7,2-(acetylphenylamino)ethyl acetate,2-[acetyl(phenyl)amino]ethyl acetate,CC(=O)OCCN(C(=O)C)c1ccccc1,CC(=O)OCCN(C(=O)C)c1ccccc1,"InChI=1/C12H15NO3/c1-10(14)13(8-9-16-11(2)15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3",C12H15NO3,,,,,,IGXHOQNEKVKXSV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.676,241-460-4,17439-11-1,Dihydrogen hexafluorotitanate(2-),hexafluorotitanate(2-),F[Ti-2](F)(F)(F)(F)F,F[Ti-2](F)(F)(F)(F)F,"InChI=1/6FH.Ti/h6*1H;/q;;;;;;+4/p-6/rF6Ti/c1-7(2,3,4,5)6/q-2",F6Ti.2H,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13664,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.676,PFSXARRIPPWGNC-UHFFFAOYSA-H,,,,,,,,,,,
100.037.680,241-465-1,17449-92-2,16-a-bromo-20-oxopregn-5-en-3-ß-yl acetate,16-bromo-20-oxopregn-5-en-3-yl acetate,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](Br)[C@@H]4C(=O)C)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](Br)[C@@H]4C(=O)C)[C@@H]3CC=C2C1,"InChI=1/C23H33BrO3/c1-13(25)21-20(24)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-21H,6-12H2,1-4H3",C23H33BrO3,,,,,,USMVITRIRORNNZ-LXGBQXIBSA-N,,,,,,,,,,,
100.037.685,241-470-9,17453-87-1,D-glucitol hexakis(dihydrogen phosphate),"1,2,3,4,5,6-hexa-O-phosphonohexitol",OP(=O)(O)OCC(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(COP(=O)(O)O)OP(=O)(O)O,OP(=O)(O)OCC(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(COP(=O)(O)O)OP(=O)(O)O,"InChI=1/C6H20O24P6/c7-31(8,9)25-1-3(27-33(13,14)15)5(29-35(19,20)21)6(30-36(22,23)24)4(28-34(16,17)18)2-26-32(10,11)12/h3-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)",C6H20O24P6,,,,,,GPTYWYWIIFHSHG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.686,241-471-4,17454-48-7,"Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecin","tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecine",C1CCC2OCCOCCOCCOCCOC2C1,C1CCC2OCCOCCOCCOCCOC2C1,"InChI=1/C14H26O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h13-14H,1-12H2",C14H26O5,,,,,,GQRWGIWRQMNZNT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.690,241-476-1,17463-01-3,Ethyl non-2-enoate,ethyl non-2-enoate,CCOC(=O)C=CCCCCCC,CCOC(=O)C=CCCCCCC,"InChI=1/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,ZCSDUGXKKBIICL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.691,241-477-7,17463-34-2,"Octanoic acid, compound with octylamine (1:1)",octanoic acid - octan-1-amine (1:1),CCCCCCCCN.CCCCCCCC(=O)O,CCCCCCCCN.CCCCCCCC(=O)O,"InChI=1/C8H19N.C8H16O2/c1-2-3-4-5-6-7-8-9;1-2-3-4-5-6-7-8(9)10/h2-9H2,1H3;2-7H2,1H3,(H,9,10)",C8H19N.C8H16O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18117,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.691,LQNPIBHEOATAEO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.701,241-488-7,17472-78-5,"(24S)-ergosta-5,22(E)-dien-3ß-ol","ergosta-5,22-dien-3-ol",CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3",C28H46O,,,,,,OILXMJHPFNGGTO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.706,241-493-4,17479-19-5,Dihydroergocristine,"5'-benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman",CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O,CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O,"InChI=1/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)",C35H41N5O5,,,,,,DEQITUUQPICUMR-HJPBWRTMSA-N,,,,,,,,,,,
100.037.707,241-495-5,17481-06-0,N-acetyl-4-fluoro-3-phenyl-DL-alanine,N-acetyl-4-fluorophenylalanine,CC(=O)NC(Cc1ccc(F)cc1)C(=O)O,CC(=O)NC(Cc1ccc(F)cc1)C(=O)O,"InChI=1/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)",C11H12FNO3,,,,,,NRLBRFQYMSTLJK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.708,241-496-0,17481-19-5,3-chloropropanethiol,3-chloropropane-1-thiol,SCCCCl,SCCCCl,"InChI=1/C3H7ClS/c4-2-1-3-5/h5H,1-3H2",C3H7ClS,,,,,,TZCFWOHAWRIQGF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.710,241-498-1,17482-42-7,Calcium malate,calcium malate,[Ca+2].OC(CC(=O)[O-])C(=O)[O-],[Ca+2].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.Ca/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2",C4H6O5.xCa,,,,,,OLOZVPHKXALCRI-UHFFFAOYSA-L,,,,,,,,,,,
100.033.917,237-324-9,13746-89-9,Zirconium tetranitrate,zirconium tetranitrate,[Zr+2].[Zr+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Zr+2].[Zr+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/4NO3.2Zr/c4*2-1(3)4;;/q4*-1;2*+2,HNO3.1/4Zr,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7532,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.917,DSXIBLZVKGTMBH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.919,237-327-5,13747-12-1,"Tetrahydro-1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyl-1H-pyrimidin-2-one","1,3-bis(hydroxymethyl)-4-methoxy-5,5-dimethyltetrahydropyrimidin-2(1H)-one",COC1N(CO)C(=O)N(CO)CC1(C)C,COC1N(CO)C(=O)N(CO)CC1(C)C,"InChI=1/C9H18N2O4/c1-9(2)4-10(5-12)8(14)11(6-13)7(9)15-3/h7,12-13H,4-6H2,1-3H3",C9H18N2O4,,,,,,VGBDEALNUKLDKK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.920,237-328-0,13747-30-3,Calcium decanoate,calcium didecanoate,[Ca+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/2C10H20O2.Ca/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Ca,,,,,,FKYAWWVVKRUUFY-UHFFFAOYSA-L,,,,,,,,,,,
100.033.925,237-333-8,13750-62-4,1-benzyl-2-methyl-1H-imidazole,1-benzyl-2-methyl-1H-imidazole,Cc1nccn1Cc2ccccc2,Cc1nccn1Cc2ccccc2,"InChI=1/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3",C11H12N2,,,,,,FBHPRUXJQNWTEW-UHFFFAOYSA-N,,,,,,,,,,,
100.031.336,234-484-1,12006-15-4,Tricadmium diarsenide,tricadmium diarsenide,[Cd+2].[Cd+2].[Cd+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],[Cd+2].[Cd+2].[Cd+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],"InChI=1/6As2H3.3Cd/c6*1-2;;;/h6*1H,2H2;;;/q6*-1;3*+2",As2Cd3,,,,,,ZDEYOQDKILBTAV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.364,234-514-3,12007-60-2,Dilithium tetraborate,dilithium tetraborate,[Li+].[Li+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[Li+].[Li+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/4BO3.2Li/c4*2-1(3)4;;/q4*-3;2*+1,B4Li2O7,,,,,,PEHXFJUULPSSQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.365,234-515-9,12007-66-8,Strontium tetraborate,strontium tetraborate,[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/4BO3.6Sr/c4*2-1(3)4;;;;;;/q4*-3;6*+2,B4O7Sr,,,,,,PLAVXVOKUUTLJN-UHFFFAOYSA-N,,,,,,,,,,,
100.031.366,234-516-4,12007-67-9,Zinc tetraborate,zinc tetraborate,[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/4BO3.6Zn/c4*2-1(3)4;;;;;;/q4*-3;6*+2,B4O7Zn,,,,,,NDNPFWOOAFWTAI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.155,238-687-6,14639-97-5,Diammonium tetrachlorozincate(2-),diammonium tetrachlorozincate(2-),[NH4+].[NH4+].Cl[Zn-2](Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/4ClH.2H3N.Zn/h4*1H;2*1H3;/q;;;;;;+2/p-2/rCl4Zn.2H3N/c1-5(2,3)4;;/h;2*1H3/q-2;;/p+2",Cl4Zn.2H4N,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13376,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.155,QOQUXKCHSZSKOT-UHFFFAOYSA-L,,,,,,,,,,,
100.035.156,238-688-1,14639-98-6,Triammonium pentachlorozincate(3-),triammonium pentachlorozincate(3-),[NH4+].[NH4+].[NH4+].Cl[Zn-3](Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].[NH4+].Cl[Zn-3](Cl)(Cl)(Cl)Cl,"InChI=1/5ClH.3H3N.Zn/h5*1H;3*1H3;/q;;;;;;;;+2/p-2/rCl5Zn.3H3N/c1-6(2,3,4)5;;;/h;3*1H3/q-3;;;/p+3",Cl5Zn.3H4N,,,,,,IYBCULKOHOEVED-UHFFFAOYSA-L,,,,,,,,,,,
100.035.163,238-696-5,14646-16-3,Erbium trihydroxide,erbium trihydroxide,[OH-].[OH-].[OH-].[Er+3],[OH-].[OH-].[OH-].[Er+3],InChI=1/Er.3H2O/h;3*1H2/q+3;;;/p-3,ErH3O3,,,,,,VAVZPNQZVXNCJK-UHFFFAOYSA-K,,,,,,,,,,,
100.035.165,238-698-6,14649-03-7,S-(-)-a-methylbenzyl isocyanate,(1-isocyanatoethyl)benzene,C[C@H](N=C=O)c1ccccc1,C[C@H](N=C=O)c1ccccc1,"InChI=1/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3",C9H9NO,,,,,,JJSCUXAFAJEQGB-QMMMGPOBSA-N,,,,,,,,,,,
100.035.173,238-706-8,14663-23-1,"1-[[5-(4-nitrophenyl)furfurylidene]amino]imidazolidine-2,4-dione, sodium salt",-,[Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(C=NN2CC(=O)NC2=O)o3,[Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(C=NN2CC(=O)NC2=O)o3,"InChI=1/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1",C14H10N4O5.Na,,,,,,KSRLIXGNPXAZHD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.174,238-707-3,14666-78-5,Diethyl peroxydicarbonate,ethyl (ethylperoxy)carbonyl carbonate,CCOOC(=O)OC(=O)OCC,CCOOC(=O)OC(=O)OCC,"InChI=1/C6H10O6/c1-3-9-5(7)11-6(8)12-10-4-2/h3-4H2,1-2H3",C6H10O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13297,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.174,GYSBLMPDMJKYOY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.190,238-725-1,14684-54-9,"6,7-dimethyl-1H-pteridin-4-one","6,7-dimethylpteridin-4(1H)-one",Cc1nc2NC=NC(=O)c2nc1C,Cc1nc2NC=NC(=O)c2nc1C,"InChI=1/C8H8N4O/c1-4-5(2)12-7-6(11-4)8(13)10-3-9-7/h3H,1-2H3,(H,9,10,12,13)",C8H8N4O,,,,,,YZZHLQUXFAOLAA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.839,247-139-5,25632-22-8,"1,8-bis[(3-methylphenyl)amino]anthraquinone","1,8-bis[(3-methylphenyl)amino]-9,10-anthraquinone",Cc1cccc(Nc2cccc3C(=O)c4cccc(Nc5cccc(C)c5)c4C(=O)c23)c1,Cc1cccc(Nc2cccc3C(=O)c4cccc(Nc5cccc(C)c5)c4C(=O)c23)c1,"InChI=1/C28H22N2O2/c1-17-7-3-9-19(15-17)29-23-13-5-11-21-25(23)28(32)26-22(27(21)31)12-6-14-24(26)30-20-10-4-8-18(2)16-20/h3-16,29-30H,1-2H3",C28H22N2O2,,,,,,YBCMHEIWORKATQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.845,247-145-8,25637-85-8,Sucrose dioleate,3-O-oleoyl-beta-D-fructofuranosyl 2-O-oleoyl-alpha-D-glucopyranoside,CCCCCCCC\\C=C/CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C48H86O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(52)58-45-44(56)42(54)38(35-49)57-47(45)61-48(37-51)46(43(55)39(36-50)60-48)59-41(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39,42-47,49-51,54-56H,3-16,21-37H2,1-2H3",C48H86O13,,,,,,XPTKHJYCRZUHJY-FSAWCSQFSA-N,,,,,,,,,,,
100.042.857,247-158-9,25641-61-6,Sulphonylbisphenol,"2,2'-sulfonyldiphenol",Oc1ccccc1S(=O)(=O)c2ccccc2O,Oc1ccccc1S(=O)(=O)c2ccccc2O,"InChI=1/C12H10O4S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8,13-14H",C12H10O4S,,,,,,QUWAJPZDCZDTJS-UHFFFAOYSA-N,,,,,,,,,,,
100.042.860,247-162-0,25646-77-9,(4-ammonio-m-tolyl)ethyl(2-hydroxyethyl)ammonium sulphate,"N~4~-ethyl-N~4~-(2-hydroxyethyl)-2-methylbenzene-1,4-diaminium sulfate",CC[NH+](CCO)c1ccc([NH3+])c(C)c1.[O-]S(=O)(=O)[O-],CC[NH+](CCO)c1ccc([NH3+])c(C)c1.[O-]S(=O)(=O)[O-],"InChI=1/C11H18N2O.H2O4S/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;1-5(2,3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4)",C11H18N2O.H2O4S,,,,,,GVEYRUKUJCHJSR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.058,242-980-4,19351-18-9,"2,2-dimethylthiazolidine","2,2-dimethyl-1,3-thiazolidine",CC1(C)NCCS1,CC1(C)NCCS1,"InChI=1/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3",C5H11NS,,,,,,SNPQRYOQWLOTFA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.059,242-982-5,19352-51-3,8-quinolyl methacrylate,quinolin-8-yl methacrylate,CC(=C)C(=O)Oc1cccc2cccnc12,CC(=C)C(=O)Oc1cccc2cccnc12,"InChI=1/C13H11NO2/c1-9(2)13(15)16-11-7-3-5-10-6-4-8-14-12(10)11/h3-8H,1H2,2H3",C13H11NO2,,,,,,WOCXVYHJGQMHTR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.062,242-985-1,19353-92-5,p-(dimethylamino)benzohydrazide,4-(dimethylamino)benzohydrazide,CN(C)c1ccc(cc1)C(=O)NN,CN(C)c1ccc(cc1)C(=O)NN,"InChI=1/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)",C9H13N3O,,,,,,HITIGLAGJBMISF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.069,242-993-5,19358-42-0,o-tolyl chloroformate,2-methylphenyl chlorocarbonate,Cc1ccccc1OC(=O)Cl,Cc1ccccc1OC(=O)Cl,"InChI=1/C8H7ClO2/c1-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3",C8H7ClO2,,,,,,FYFLCWYDZJJMDE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.075,242-999-8,19370-86-6,Dilithium sebacate,dilithium sebacate,[Li+].[Li+].[O-]C(=O)CCCCCCCCC(=O)[O-],[Li+].[Li+].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/C10H18O4.2Li/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;2*+1/p-2",C10H18O4.2Li,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17747,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.075,QFFPUGXEOWMNCP-UHFFFAOYSA-L,,,,,,,,,,,
100.037.939,241-750-0,17766-28-8,1-cyclohexylpiperazine,1-cyclohexylpiperazine,C1CCC(CC1)N2CCNCC2,C1CCC(CC1)N2CCNCC2,"InChI=1/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2",C10H20N2,,,,,,XPDSXKIDJNKIQY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.941,241-752-1,17768-41-1,"Tricyclo[3.3.1.13,7]dec-1-ylmethylamine",1-adamantan-1-ylmethanamine,NCC12CC3CC(CC(C3)C1)C2,NCC12CC3CC(CC(C3)C1)C2,"InChI=1/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2",C11H19N,,,,,,XSOHXMFFSKTSIT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.947,241-758-4,17777-73-0,2-amino-2'-(o-fluorobenzoyl)-4'-nitroacetanilide hydrochloride,N-[2-(2-fluorobenzoyl)-4-nitrophenyl]glycinamide hydrochloride,Cl.NCC(=O)Nc1ccc(cc1C(=O)c2ccccc2F)[N+](=O)[O-],Cl.NCC(=O)Nc1ccc(cc1C(=O)c2ccccc2F)[N+](=O)[O-],"InChI=1/C15H12FN3O4.ClH/c16-12-4-2-1-3-10(12)15(21)11-7-9(19(22)23)5-6-13(11)18-14(20)8-17;/h1-7H,8,17H2,(H,18,20);1H",C15H12FN3O4.xClH,,,,,,CVVDHEZLNJBKOM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.948,241-760-5,17780-75-5,"N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-2-propynylamine hydrochloride","N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine hydrochloride",Cl.CN(CCCOc1ccc(Cl)cc1Cl)CC#C,Cl.CN(CCCOc1ccc(Cl)cc1Cl)CC#C,"InChI=1/C13H15Cl2NO.ClH/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15;/h1,5-6,10H,4,7-9H2,2H3;1H",C13H15Cl2NO.ClH,,,,,,BBAZDLONIUABKI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.953,241-765-2,17788-00-0,"2,4-dichloro-m-cresol","2,4-dichloro-3-methylphenol",Cc1c(Cl)ccc(O)c1Cl,Cc1c(Cl)ccc(O)c1Cl,"InChI=1/C7H6Cl2O/c1-4-5(8)2-3-6(10)7(4)9/h2-3,10H,1H3",C7H6Cl2O,,,,,,GIXSFSVVKULPEK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.956,241-768-9,17791-52-5,N-(tert-butoxycarbonyl)-L-histidine,N-(tert-butoxycarbonyl)-L-histidine,CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)",C11H17N3O4,,,,,,AYMLQYFMYHISQO-QMMMGPOBSA-N,,,,,,,,,,,
100.037.959,241-772-0,17795-24-3,3-(propylsulphinyl)-L-alanine,3-(propylsulfinyl)-L-alanine,CCCS(=O)C[C@H](N)C(=O)O,CCCS(=O)C[C@H](N)C(=O)O,"InChI=1/C6H13NO3S/c1-2-3-11(10)4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",C6H13NO3S,,,,,,JZKMSAGUCSIIAH-ITZCMCNPSA-N,,,,,,,,,,,
100.037.963,241-776-2,17804-49-8,"Disodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate","disodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,"InChI=1/C19H12Cl2N6O7S2.2Na/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;/q;2*+1/p-2",C19H12Cl2N6O7S2.2Na,,,,,,XWZDJOJCYUSIEY-UHFFFAOYSA-L,,,,,,,,,,,
100.037.966,241-779-9,17809-36-8,2-fluoro-6-nitroaniline,2-fluoro-6-nitroaniline,Nc1c(F)cccc1[N+](=O)[O-],Nc1c(F)cccc1[N+](=O)[O-],"InChI=1/C6H5FN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2",C6H5FN2O2,,,,,,BHWHYGWMNMCXBA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.967,241-780-4,17814-20-9,Barium 4-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,barium 4-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ba+2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,[Ba+2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ba/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ba,,,,,,NZLBWSOXCACJSR-UHFFFAOYSA-L,,,,,,,,,,,
100.033.524,236-893-0,13536-53-3,Praseodymium tribromide,praseodymium tribromide,[Br-].[Br-].[Br-].[Pr+3],[Br-].[Br-].[Br-].[Pr+3],InChI=1/3BrH.Pr/h3*1H;/q;;;+3/p-3,Br3Pr,,,,,,PLKCYEBERAEWDR-UHFFFAOYSA-K,,,,,,,,,,,
100.033.528,236-897-2,13536-80-6,Neodymium tribromide,neodymium tribromide,[Br-].[Br-].[Br-].[Nd+3],[Br-].[Br-].[Br-].[Nd+3],InChI=1/3BrH.Nd/h3*1H;/q;;;+3/p-3,Br3Nd,,,,,,LBWLQVSRPJHLEY-UHFFFAOYSA-K,,,,,,,,,,,
100.033.534,236-903-3,13537-15-0,Dieuropium(3+) trisulphate,dieuropium(3+) trisulphate,[Eu+3].[Eu+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Eu+3].[Eu+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Eu.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Eu.3/2H2O4S,,,,,,FBUHTUYBHREGEH-UHFFFAOYSA-H,,,,,,,,,,,
100.033.539,236-909-6,13537-33-2,Fluorosilane,fluorosilane,F[SiH3],F[SiH3],InChI=1/FH3Si/c1-2/h2H3,FH3Si,,,,,,XPBBUZJBQWWFFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.545,236-915-9,13545-04-5,"2,3-dimethylsuccinic acid","2,3-dimethylsuccinic acid",CC(C(C)C(=O)O)C(=O)O,CC(C(C)C(=O)O)C(=O)O,"InChI=1/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)",C6H10O4,,,,,,KLZYRCVPDWTZLH-UHFFFAOYSA-N,,,,,,,,,,,
100.041.064,245-187-1,22736-03-4,"Oxydiethane-2,1-diyl cyclohexanecarboxylate","oxydiethane-1,1,2-triyl tetracyclohexanecarboxylate",O=C(OCC(OC(COC(=O)C1CCCCC1)OC(=O)C2CCCCC2)OC(=O)C3CCCCC3)C4CCCCC4,O=C(OCC(OC(COC(=O)C1CCCCC1)OC(=O)C2CCCCC2)OC(=O)C3CCCCC3)C4CCCCC4,"InChI=1/C32H50O9/c33-29(23-13-5-1-6-14-23)37-21-27(40-31(35)25-17-9-3-10-18-25)39-28(41-32(36)26-19-11-4-12-20-26)22-38-30(34)24-15-7-2-8-16-24/h23-28H,1-22H2",C18H30O5,,,,,,OHDSAUOTUPOROP-UHFFFAOYSA-N,,,,,,,,,,,
100.041.065,245-188-7,22737-37-7,"1,1,1-trimethyl-N-[(trimethylsilyl)oxy]silylamine","1,1,1-trimethyl-N-[(trimethylsilyl)oxy]silanamine",C[Si](C)(C)NO[Si](C)(C)C,C[Si](C)(C)NO[Si](C)(C)C,"InChI=1/C6H19NOSi2/c1-9(2,3)7-8-10(4,5)6/h7H,1-6H3",C6H19NOSi2,,,,,,ZAEUMMRLGAMWKE-UHFFFAOYSA-N,,,,,,,,,,,
100.041.075,245-199-7,22753-80-6,"5-chloro-2-[(2,2,2-trifluoroethyl)amino]benzophenone","{5-chloro-2-[(2,2,2-trifluoroethyl)amino]phenyl}(phenyl)methanone",FC(F)(F)CNc1ccc(Cl)cc1C(=O)c2ccccc2,FC(F)(F)CNc1ccc(Cl)cc1C(=O)c2ccccc2,"InChI=1/C15H11ClF3NO/c16-11-6-7-13(20-9-15(17,18)19)12(8-11)14(21)10-4-2-1-3-5-10/h1-8,20H,9H2",C15H11ClF3NO,,,,,,MKBQTVZIYPYTSC-UHFFFAOYSA-N,,,,,,,,,,,
100.041.077,245-201-6,22753-88-4,N-[4-bromo-2-(2-pyridylcarbonyl)phenyl]benzamide,N-[4-bromo-2-(pyridin-2-ylcarbonyl)phenyl]benzamide,Brc1ccc(NC(=O)c2ccccc2)c(c1)C(=O)c3ccccn3,Brc1ccc(NC(=O)c2ccccc2)c(c1)C(=O)c3ccccn3,"InChI=1/C19H13BrN2O2/c20-14-9-10-16(22-19(24)13-6-2-1-3-7-13)15(12-14)18(23)17-8-4-5-11-21-17/h1-12H,(H,22,24)",C19H13BrN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18724,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.077,JBFBLJZYATVKLI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.078,245-202-1,22758-82-3,Aluminium tridecan-1-olate,aluminum tridecan-1-olate,[Al+3].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],[Al+3].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],"InChI=1/3C10H21O.Al/c3*1-2-3-4-5-6-7-8-9-10-11;/h3*2-10H2,1H3;/q3*-1;+3",C13H28O.1/3Al,,,,,,CFSOVYRQRBXGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.090,245-215-2,22775-65-1,Manganese phosphonate,manganese(2+) phosphonate,[Mn+2].[O-]P(=O)[O-],[Mn+2].[O-]P(=O)[O-],"InChI=1/Mn.H3O3P/c;1-4(2)3/h;4H,(H2,1,2,3)/q+2;/p-2",H3O3P.Mn,,,,,,UCMFYYLDXOZRTL-UHFFFAOYSA-L,,,,,,,,,,,
100.041.096,245-222-0,22790-13-2,"3,6,9,12-tetraoxatetradecane-1,14-diyl diacetate","16-oxo-3,6,9,12,15-pentaoxaheptadec-1-yl acetate (non-preferred name)",CC(=O)OCCOCCOCCOCCOCCOC(=O)C,CC(=O)OCCOCCOCCOCCOCCOC(=O)C,"InChI=1/C14H26O8/c1-13(15)21-11-9-19-7-5-17-3-4-18-6-8-20-10-12-22-14(2)16/h3-12H2,1-2H3",C14H26O8,,,,,,MBGINZGOPMLHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.041.106,245-233-0,22803-29-8,"[(8-butyl-2,4,6,8-tetramethylcyclotetrasiloxane-2,4,6-triyl)tri(oxy)]tris(diethylamine)","N,N',N''-[(8-butyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane-2,4,6-triyl)tris(oxy)]tris(N-ethylethanamine)",CCCC[Si]1(C)O[Si](C)(ON(CC)CC)O[Si](C)(ON(CC)CC)O[Si](C)(ON(CC)CC)O1,CCCC[Si]1(C)O[Si](C)(ON(CC)CC)O[Si](C)(ON(CC)CC)O[Si](C)(ON(CC)CC)O1,"InChI=1/C20H51N3O7Si4/c1-12-19-20-31(8)27-32(9,24-21(13-2)14-3)29-34(11,26-23(17-6)18-7)30-33(10,28-31)25-22(15-4)16-5/h12-20H2,1-11H3",C20H51N3O7Si4,,,,,,JTFGXWXAESOYDL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.110,245-237-2,22810-10-2,"3,7-dimethyloctyl ethyl ether","1-ethoxy-3,7-dimethyloctane",CCOCCC(C)CCCC(C)C,CCOCCC(C)CCCC(C)C,"InChI=1/C12H26O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3",C12H26O,,,,,,HCHHIPCZJSRFRT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.111,245-238-8,22811-02-5,Hexadecyl mercaptoacetate,hexadecyl sulfanylacetate,CCCCCCCCCCCCCCCCOC(=O)CS,CCCCCCCCCCCCCCCCOC(=O)CS,"InChI=1/C18H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17-21/h21H,2-17H2,1H3",C18H36O2S,,,,,,WDRMFQRBFDVBPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.084,240-809-8,16747-30-1,"2,4,4-trimethylhexane","2,4,4-trimethylhexane",CCC(C)(C)CC(C)C,CCC(C)(C)CC(C)C,"InChI=1/C9H20/c1-6-9(4,5)7-8(2)3/h8H,6-7H2,1-5H3",C9H20,,,,,,SVEMKBCPZYWEPH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.926,237-334-3,13752-33-5,Panidazole,4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]pyridine,Cc1ncc([N+](=O)[O-])n1CCc2ccncc2,Cc1ncc([N+](=O)[O-])n1CCc2ccncc2,"InChI=1/C11H12N4O2/c1-9-13-8-11(15(16)17)14(9)7-4-10-2-5-12-6-3-10/h2-3,5-6,8H,4,7H2,1H3",C11H12N4O2,,,,,,ARYPMCPJIWUCIP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.929,237-338-5,13753-72-5,3-hydroxy-4-[[4-[(hydroxyimino)methyl]phenyl]azo]-N-(4-methoxyphenyl)naphthalene-2-carboxamide,3-hydroxy-4-({4-[(hydroxyimino)methyl]phenyl}diazenyl)-N-(4-methoxyphenyl)-2-naphthamide,COc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(C=NO)cc3)c4O,COc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(C=NO)cc3)c4O,"InChI=1/C25H20N4O4/c1-33-20-12-10-18(11-13-20)27-25(31)22-14-17-4-2-3-5-21(17)23(24(22)30)29-28-19-8-6-16(7-9-19)15-26-32/h2-15,30,32H,1H3,(H,27,31)",C25H20N4O4,,,,,,KHSLVOXXCDXGFS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.935,237-344-8,13759-10-9,Silicon disulphide,dithioxosilane,S=[Si]=S,S=[Si]=S,InChI=1/S2Si/c1-3-2,S2Si,,,,,,KHDSWONFYIAAPE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.955,237-366-8,13765-19-0,Calcium chromate,calcium dioxido(dioxo)chromium,[Ca+2].[O-][Cr](=O)(=O)[O-],[Ca+2].[O-][Cr](=O)(=O)[O-],"InChI=1/Ca.Cr.4O/q+2;;;;2*-1/rCa.CrO4/c;2-1(3,4)5/q+2;-2",Ca.CrH2O4,,,,,,RFAFBXGYHBOUMV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.958,237-369-4,13765-26-9,Gadolinium trifluoride,gadolinium trifluoride,[F-].[F-].[F-].[Gd+3],[F-].[F-].[F-].[Gd+3],InChI=1/3FH.Gd/h3*1H;/q;;;+3/p-3,F3Gd,,,,,,TYIZUJNEZNBXRS-UHFFFAOYSA-K,,,,,,,,,,,
100.033.963,237-375-7,13765-95-2,"Phosphoric acid, zirconium salt",zirconium(2+) hydrogen phosphate,[Zr+2].OP(=O)([O-])[O-],[Zr+2].OP(=O)([O-])[O-],"InChI=1/H3O4P.Zr/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+2/p-2",H3O4P.xZr,,,,,,GNIFDFLNOVMXBN-UHFFFAOYSA-L,,,,,,,,,,,
100.037.585,241-361-6,17336-84-4,"N,N,N',N'-tetramethyl-1-butene-1,3-diamine","N,N,N',N'-tetramethylbut-1-ene-1,3-diamine",CC(C=CN(C)C)N(C)C,CC(C=CN(C)C)N(C)C,"InChI=1/C8H18N2/c1-8(10(4)5)6-7-9(2)3/h6-8H,1-5H3",C8H18N2,,,,,,DOJGJJJBWVDGTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.586,241-362-1,17338-96-4,"3,7-dihydro-8-methyl-1H-purine-2,6-dione","8-methyl-3,9-dihydro-1H-purine-2,6-dione",Cc1nc2C(=O)NC(=O)Nc2[nH]1,Cc1nc2C(=O)NC(=O)Nc2[nH]1,"InChI=1/C6H6N4O2/c1-2-7-3-4(8-2)9-6(12)10-5(3)11/h1H3,(H3,7,8,9,10,11,12)",C6H6N4O2,,,,,,RTAPDZBZLSXHQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.589,241-365-8,17343-00-9,N-(N-glycylglycyl)-DL-valine,glycylglycyl-L-valine,CC(C)[C@H](NC(=O)CNC(=O)CN)C(=O)O,CC(C)[C@H](NC(=O)CNC(=O)CN)C(=O)O,"InChI=1/C9H17N3O4/c1-5(2)8(9(15)16)12-7(14)4-11-6(13)3-10/h5,8H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)",C9H17N3O4,,,,,,OLPPXYMMIARYAL-QMMMGPOBSA-N,,,,,,,,,,,
100.037.596,241-373-1,17348-59-3,2-isopropoxy-2-methylpropane,tert-butyl isopropyl ether,CC(C)OC(C)(C)C,CC(C)OC(C)(C)C,"InChI=1/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3",C7H16O,,,,,,HNFSPSWQNZVCTB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.598,241-375-2,17352-16-8,"2,4,6-tris(dichloromethyl)-1,3,5-trioxane","2,4,6-tris(dichloromethyl)-1,3,5-trioxane",ClC(Cl)C1OC(OC(O1)C(Cl)Cl)C(Cl)Cl,ClC(Cl)C1OC(OC(O1)C(Cl)Cl)C(Cl)Cl,InChI=1/C6H6Cl6O3/c7-1(8)4-13-5(2(9)10)15-6(14-4)3(11)12/h1-6H,C6H6Cl6O3,,,,,,WHRHHWJTZCPFFS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.599,241-376-8,17352-47-5,"4-[[4-(benzoylamino)-2,5-diethoxyphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide","4-{[4-(benzoylamino)-2,5-diethoxyphenyl]diazenyl}-3-hydroxy-N-phenyl-2-naphthamide",CCOc5cc(NC(=O)c1ccccc1)c(cc5N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2)c3O)OCC,CCOc5cc(NC(=O)c1ccccc1)c(cc5N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2)c3O)OCC,"InChI=1/C34H30N4O5/c1-3-42-29-21-28(30(43-4-2)20-27(29)36-33(40)22-13-7-5-8-14-22)37-38-31-25-18-12-11-15-23(25)19-26(32(31)39)34(41)35-24-16-9-6-10-17-24/h5-21,39H,3-4H2,1-2H3,(H,35,41)(H,36,40)",C34H30N4O5,,,,,,SHQSAWXLSRXNSS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.611,241-389-9,17361-44-3,Ditetradecylamine,N-tetradecyltetradecan-1-amine,CCCCCCCCCCCCCCNCCCCCCCCCCCCCC,CCCCCCCCCCCCCCNCCCCCCCCCCCCCC,"InChI=1/C28H59N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3",C28H59N,,,,,,HSUGDXPUFCVGES-UHFFFAOYSA-N,,,,,,,,,,,
100.037.612,241-390-4,17362-04-8,2-ethoxyethanethiol,2-ethoxyethanethiol,CCOCCS,CCOCCS,"InChI=1/C4H10OS/c1-2-5-3-4-6/h6H,2-4H2,1H3",C4H10OS,,,,,,ZKHZEAOYIJBZBM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.614,241-393-0,17362-17-3,3-(p-hydroxyphenyl)propiononitrile,3-(4-hydroxyphenyl)propanenitrile,Oc1ccc(CCC#N)cc1,Oc1ccc(CCC#N)cc1,"InChI=1/C9H9NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2H2",C9H9NO,,,,,,KDMJGLYRWRHKJS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.616,241-395-1,17364-14-6,"D-Glucose, 1-(dihydrogen phosphate), sodium salt",sodium 1-O-(hydroxyphosphinato)hexopyranose,OCC1OC(OP(=O)(O)O[Na])C(O)C(O)C1O,OCC1OC(OP(=O)(O)O[Na])C(O)C(O)C1O,"InChI=1/C6H13O9P.Na/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;/h2-10H,1H2,(H2,11,12,13);/q;+1/p-1/rC6H12NaO9P/c7-16-17(12,13)15-6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H,12,13)",C6H13O9P.xNa,,,,,,YSLVOZPKBHMBRV-UHFFFAOYSA-M,,,,,,,,,,,
100.032.506,235-770-9,12688-15-2,Zirconium hydroxide,zirconium(2+) dihydroxide,[OH-].[OH-].[Zr+2],[OH-].[OH-].[Zr+2],InChI=1/2H2O.Zr/h2*1H2;/q;;+2/p-2,-,,,,,,CAINCDLPPXCEEZ-UHFFFAOYSA-L,,,,,,,,,,,
100.042.861,247-163-6,25646-78-0,Bis[(p-aminophenyl)ethyl(2-hydroxyethyl)ammonium] sulphate,bis[4-amino-N-ethyl-N-(2-hydroxyethyl)anilinium] sulfate,CC[NH+](CCO)c1ccc(N)cc1.CC[NH+](CCO)c2ccc(N)cc2.[O-]S(=O)(=O)[O-],CC[NH+](CCO)c1ccc(N)cc1.CC[NH+](CCO)c2ccc(N)cc2.[O-]S(=O)(=O)[O-],"InChI=1/2C10H16N2O.H2O4S/c2*1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4/h2*3-6,13H,2,7-8,11H2,1H3;(H2,1,2,3,4)",C10H16N2O.1/2H2O4S,,,,,,FGMPNNMXDQQSKP-UHFFFAOYSA-N,,,,,,,,,,,
100.042.869,247-172-5,25665-01-4,[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]methylene]malononitrile,{4-[bis(2-hydroxyethyl)amino]-2-methylbenzylidene}malononitrile,Cc1cc(ccc1C=C(C#N)C#N)N(CCO)CCO,Cc1cc(ccc1C=C(C#N)C#N)N(CCO)CCO,"InChI=1/C15H17N3O2/c1-12-8-15(18(4-6-19)5-7-20)3-2-14(12)9-13(10-16)11-17/h2-3,8-9,19-20H,4-7H2,1H3",C15H17N3O2,,,,,,XCHBWNUDMKFJDW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.218,235-453-5,12232-90-5,"Bismuth, compound with erbium (1:1)",-,[Er].[Bi],[Er].[Bi],InChI=1/Bi.Er/q2*+3,Bi.Er,,,,,,OXEOYJOKKOUHOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.221,235-456-1,12233-13-5,"Bismuth, compound with samarium (1:1)",-,[Sm].[Bi],[Sm].[Bi],InChI=1/Bi.Sm/q+3;+2,Bi.Sm,,,,,,XJFYLPNRLBQCQX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.224,235-459-8,12235-21-1,Sodium 2-[4-[(4-hydroxybiphenyl-3-yl)azo]phenoxy]ethyl sulphate,sodium 2-{4-[(4-hydroxybiphenyl-3-yl)diazenyl]phenoxy}ethyl sulfate,[Na+].Oc2ccc(cc2N=Nc1ccc(OCCOS([O-])(=O)=O)cc1)c3ccccc3,[Na+].Oc2ccc(cc2N=Nc1ccc(OCCOS([O-])(=O)=O)cc1)c3ccccc3,"InChI=1/C20H18N2O6S.Na/c23-20-11-6-16(15-4-2-1-3-5-15)14-19(20)22-21-17-7-9-18(10-8-17)27-12-13-28-29(24,25)26;/h1-11,14,23H,12-13H2,(H,24,25,26);/q;+1/p-1",C20H18N2O6S.Na,,,,,,RXWFEYPZHNITEP-UHFFFAOYSA-M,,,,,,,,,,,
100.032.227,235-462-4,12236-62-3,"2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide","2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",[O-][N+](=O)c3cc(Cl)ccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,[O-][N+](=O)c3cc(Cl)ccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,"InChI=1/C17H13ClN6O5/c1-8(25)15(23-22-12-4-2-9(18)6-14(12)24(28)29)16(26)19-10-3-5-11-13(7-10)21-17(27)20-11/h2-7,15H,1H3,(H,19,26)(H2,20,21,27)",C17H13ClN6O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14130,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.227,DLQMNSDNQWLFSS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.229,235-465-0,12236-82-7,"1-amino-4-[[4-[[4-chloro-6-[[3(or4)-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-3-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-9,10-dioxo-4-{[3-sulfo-4-(1,3,5-triazin-2-ylamino)phenyl]amino}-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5ncncn5)c(c4)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5ncncn5)c(c4)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C23H16N6O8S2/c24-20-17(39(35,36)37)8-15(18-19(20)22(31)13-4-2-1-3-12(13)21(18)30)28-11-5-6-14(16(7-11)38(32,33)34)29-23-26-9-25-10-27-23/h1-10,28H,24H2,(H,32,33,34)(H,35,36,37)(H,25,26,27,29)",C29H20ClN7O11S3,,,,,,VXFCBAKKUOMQFH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.237,235-473-4,12239-15-5,"4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid","4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid",OS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccccc2)c3N,OS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccccc2)c3N,"InChI=1/C16H13Cl2N5O3S/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26/h2-8H,19H2,1H3,(H,24,25,26)",C16H13Cl2N5O3S,,,,,,QHVBDWZOQBMLLW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.244,235-481-8,12249-45-5,"Copper, compound with silver (1:1)",copper - silver (1:1),[Ag].[Cu],[Ag].[Cu],InChI=1/Ag.Cu/q2*+1,Ag.Cu,,,,,,NEIHULKJZQTQKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.502,234-666-0,12021-95-3,Dihydrogen hexafluorozirconate(2-),hexafluorozirconate(2-),F[Zr-2](F)(F)(F)(F)F,F[Zr-2](F)(F)(F)(F)F,"InChI=1/6FH.Zr/h6*1H;/q;;;;;;+4/p-6/rF6Zr/c1-7(2,3,4,5)6/q-2",F6Zr.2H,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5820,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.502,DXIGZHYPWYIZLM-UHFFFAOYSA-H,,,,,,,,,,,
100.031.512,234-677-0,12023-23-3,"Iron, compound with neodymium (2:1)",iron - neodymium (2:1),[Fe].[Fe].[Nd],[Fe].[Fe].[Nd],InChI=1/2Fe.Nd/q2*+2;+3,Fe.Nd,,,,,,ZWKKPKNPCSTXGA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.515,234-680-7,12023-40-4,"Iron, compound with titanium (2:1)",iron - titanium (2:1),[Fe].[Fe].[Ti],[Fe].[Fe].[Ti],InChI=1/2Fe.Ti/q3*+2,Fe.Ti,,,,,,BFJYQEPWZIFNMO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.516,234-681-2,12023-45-9,"Iron, compound with zirconium (2:1)",iron - zirconium (2:1),[Fe].[Fe].[Zr],[Fe].[Fe].[Zr],InChI=1/2Fe.Zr/q3*+2,Fe.Zr,,,,,,RCAUCPAXYOMLQG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.197,238-733-5,14691-01-1,"Dodecahydro-7,14-methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one monoperchlorate",spartein-2-one perchlorate,OCl(=O)(=O)=O.O=C1CCCC2C3CC(CN12)C4CCCCN4C3,OCl(=O)(=O)=O.O=C1CCCC2C3CC(CN12)C4CCCCN4C3,"InChI=1/C15H24N2O.ClHO4/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;2-1(3,4)5/h11-14H,1-10H2;(H,2,3,4,5)",C15H24N2O.ClHO4,,,,,,DVZQTPMQQXAHSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.198,238-734-0,14691-72-6,Sodium hydroxysulphamate,sodium hydroxysulfamate,[Na+].ONS(=O)(=O)[O-],[Na+].ONS(=O)(=O)[O-],"InChI=1/H3NO4S.Na/c2-1-6(3,4)5;/h1-2H,(H,3,4,5);/q;+1/p-1",H3NO4S.Na,,,,,,NFJBRDKUFDWAKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.759,240-452-8,16400-63-8,2-bromo-3-chloropropene,2-bromo-3-chloroprop-1-ene,ClCC(=C)Br,ClCC(=C)Br,InChI=1/C3H4BrCl/c1-3(4)2-5/h1-2H2,C3H4BrCl,,,,,,LGQUWHWIEUSLLO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.772,240-466-4,16417-38-2,N-palmitoyl-L-serine,N-palmitoyl-L-serine,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O,"InChI=1/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24)",C19H37NO4,,,,,,BFVRFWIQTACAPT-KRWDZBQOSA-N,,,,,,,,,,,
100.036.775,240-470-6,16421-40-2,"2-[[5-acetamide-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]benzylamino]ethyl acetate","2-[{5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}(benzyl)amino]ethyl acetate",COc1cc(N=Nc2c(Cl)cc(cc2N(=O)=O)N(=O)=O)c(NC(=O)C)cc1N(CCOC(=O)C)Cc3ccccc3,COc1cc(N=Nc2c(Cl)cc(cc2N(=O)=O)N(=O)=O)c(NC(=O)C)cc1N(CCOC(=O)C)Cc3ccccc3,"InChI=1/C26H25ClN6O8/c1-16(34)28-21-13-23(31(9-10-41-17(2)35)15-18-7-5-4-6-8-18)25(40-3)14-22(21)29-30-26-20(27)11-19(32(36)37)12-24(26)33(38)39/h4-8,11-14H,9-10,15H2,1-3H3,(H,28,34)",C26H25ClN6O8,,,,,,DFAKODSMQXHLIH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.778,240-473-2,16423-67-9,"Disodium 4,4'-[(2,4-diamino-5-methyl-1,3-phenylene)bis(azo)]bis[benzenesulphonate]","disodium 4,4'-[(2,4-diamino-5-methyl-1,3-phenylene)didiazene-2,1-diyl]dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3cc(C)c(N)c(N=Nc2ccc(cc2)S([O-])(=O)=O)c3N,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3cc(C)c(N)c(N=Nc2ccc(cc2)S([O-])(=O)=O)c3N,"InChI=1/C19H18N6O6S2.2Na/c1-11-10-16(24-22-12-2-6-14(7-3-12)32(26,27)28)18(21)19(17(11)20)25-23-13-4-8-15(9-5-13)33(29,30)31;;/h2-10H,20-21H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C19H18N6O6S2.2Na,,,,,,QNDVPOIZQPHPLL-UHFFFAOYSA-L,,,,,,,,,,,
100.036.791,240-487-9,16432-46-5,4'-[2-nitro-4-[(p-nitrophenyl)azo]anilino]acetanilide,N-[4-({2-nitro-4-[(4-nitrophenyl)diazenyl]phenyl}amino)phenyl]acetamide,[O-][N+](=O)c1ccc(cc1)N=Nc3ccc(Nc2ccc(NC(C)=O)cc2)c(c3)[N+]([O-])=O,[O-][N+](=O)c1ccc(cc1)N=Nc3ccc(Nc2ccc(NC(C)=O)cc2)c(c3)[N+]([O-])=O,"InChI=1/C20H16N6O5/c1-13(27)21-14-2-4-15(5-3-14)22-19-11-8-17(12-20(19)26(30)31)24-23-16-6-9-18(10-7-16)25(28)29/h2-12,22H,1H3,(H,21,27)",C20H16N6O5,,,,,,VWDGUPKIGZINGO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.793,240-490-5,16434-97-2,"5-bromo[1,1'-biphenyl]-2-ol",5-bromobiphenyl-2-ol,Oc1ccc(Br)cc1c2ccccc2,Oc1ccc(Br)cc1c2ccccc2,"InChI=1/C12H9BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H",C12H9BrO,,,,,,AWIYHSVPCXSVRF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.796,240-493-1,16437-31-3,N-(m-methoxyphenyl)-N-methyl-p-toluenesulphonamide,"N-(3-methoxyphenyl)-N,4-dimethylbenzenesulfonamide",COc1cccc(c1)N(C)S(=O)(=O)c2ccc(C)cc2,COc1cccc(c1)N(C)S(=O)(=O)c2ccc(C)cc2,"InChI=1/C15H17NO3S/c1-12-7-9-15(10-8-12)20(17,18)16(2)13-5-4-6-14(11-13)19-3/h4-11H,1-3H3",C15H17NO3S,,,,,,LLRVCLHTBSMJPE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.666,237-048-9,13597-46-1,Zinc selenite,zinc selenite,[Zn+2].[O-][Se](=O)[O-],[Zn+2].[O-][Se](=O)[O-],"InChI=1/H2O3Se.Zn/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2",H2O3Se.Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5197,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.666,PEUPCBAALXHYHP-UHFFFAOYSA-L,,,,,,,,,,,
100.033.678,237-062-5,13597-99-4,Beryllium nitrate,beryllium dinitrate,[Be+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Be+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Be.2NO3/c;2*2-1(3)4/q+2;2*-1,Be.2HNO3,,,,,,RFVVBBUVWAIIBT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.691,237-076-1,13599-33-2,"5-(2-furyl)-4,5-dihydro-3-methyl-1H-pyrazole","5-(2-furyl)-3-methyl-4,5-dihydro-1H-pyrazole",CC1=NNC(C1)c2occc2,CC1=NNC(C1)c2occc2,"InChI=1/C8H10N2O/c1-6-5-7(10-9-6)8-3-2-4-11-8/h2-4,7,10H,5H2,1H3",C8H10N2O,,,,,,POVUPBQCSNLILG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.704,237-090-8,13603-70-8,Octyl disulphone,"1,2-dioctyldisulfane 1,1,2,2-tetraoxide",CCCCCCCCS(=O)(=O)S(=O)(=O)CCCCCCCC,CCCCCCCCS(=O)(=O)S(=O)(=O)CCCCCCCC,"InChI=1/C16H34O4S2/c1-3-5-7-9-11-13-15-21(17,18)22(19,20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34O4S2,,,,,,KKEJKYBURSQHHW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.705,237-091-3,13605-19-1,2-(m-tolyloxy)ethanol,2-(3-methylphenoxy)ethanol,Cc1cccc(OCCO)c1,Cc1cccc(OCCO)c1,"InChI=1/C9H12O2/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7,10H,5-6H2,1H3",C9H12O2,,,,,,FDBXUXVQIOQYIX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.706,237-092-9,13608-87-2,"2',3',4'-trichloroacetophenone","1-(2,3,4-trichlorophenyl)ethanone",CC(=O)c1ccc(Cl)c(Cl)c1Cl,CC(=O)c1ccc(Cl)c(Cl)c1Cl,"InChI=1/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3",C8H5Cl3O,,,,,,BXJZZJYNVIDEKG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.708,237-095-5,13610-02-1,(prop-2-ynyloxy)benzene,(prop-2-yn-1-yloxy)benzene,C#CCOc1ccccc1,C#CCOc1ccccc1,"InChI=1/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2",C9H8O,,,,,,AIQRJSXKXVZCJO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.709,237-096-0,13611-85-3,4-[(10-methylphenothiazin-2-yl)thioacetyl]morpholine,10-methyl-2-(2-morpholin-4-yl-2-thioxoethyl)-10H-phenothiazine,CN1c2ccccc2Sc3ccc(CC(=S)N4CCOCC4)cc13,CN1c2ccccc2Sc3ccc(CC(=S)N4CCOCC4)cc13,"InChI=1/C19H20N2OS2/c1-20-15-4-2-3-5-17(15)24-18-7-6-14(12-16(18)20)13-19(23)21-8-10-22-11-9-21/h2-7,12H,8-11,13H2,1H3",C19H20N2OS2,,,,,,XGNWSASAYPRWCT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.086,240-811-9,16747-32-3,"3-ethyl-2,2-dimethylpentane","3-ethyl-2,2-dimethylpentane",CCC(CC)C(C)(C)C,CCC(CC)C(C)(C)C,"InChI=1/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H3",C9H20,,,,,,CLZCPQKGOAXOJT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.090,240-816-6,16753-62-1,Dimethoxymethylvinylsilane,(dimethoxymethyl)(vinyl)silane,COC(OC)[SiH2]C=C,COC(OC)[SiH2]C=C,"InChI=1/C5H12O2Si/c1-4-8-5(6-2)7-3/h4-5H,1,8H2,2-3H3",C5H12O2Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17169,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.090,ORHSGYTWJUDWKU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.091,240-817-1,16754-50-0,"3,3',3''-[methylidynetris(oxy)]trispropene","3,3',3''-[methanetriyltris(oxy)]tris(prop-1-ene)",C=CCOC(OCC=C)OCC=C,C=CCOC(OCC=C)OCC=C,"InChI=1/C10H16O3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-6,10H,1-3,7-9H2",C10H16O3,,,,,,OGRORDCCINVZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.092,240-818-7,16758-34-2,Phenyl 1-thio-ß-D-galactopyranoside,phenyl 1-thio-beta-D-galactopyranoside,OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2",C12H16O5S,,,,,,OVLYAISOYPJBLU-IIRVCBMXSA-N,,,,,,,,,,,
100.037.098,240-825-5,16768-72-2,1-methyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide,"1-methyl-2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium iodide",[I-].C[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2C,[I-].C[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2C,"InChI=1/C19H17N2S.HI/c1-20-15(12-11-14-7-3-4-8-16(14)20)13-19-21(2)17-9-5-6-10-18(17)22-19;/h3-13H,1-2H3;1H/q+1;/p-1",C19H17N2S.I,,,,,,XJIZCBUIPODJQX-UHFFFAOYSA-M,,,,,,,,,,,
100.037.105,240-832-3,16800-24-1,Potassium sodium sulphate,potassium sodium sulfate,[Na+].[K+].[O-]S(=O)(=O)[O-],[Na+].[K+].[O-]S(=O)(=O)[O-],"InChI=1/K.Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O4S.K.Na,,,,,,UOVHNSMBKKMHHP-UHFFFAOYSA-L,,,,,,,,,,,
100.037.111,240-839-1,16808-86-9,"(5a,7a)-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a,a-dimethyl-6,14-ethenomorphinan-7-methanol hydrochloride","17-(cyclopropylmethyl)-7-(1-hydroxy-1-methylethyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride",Cl.CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56,Cl.CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56,"InChI=1/C26H35NO4.ClH/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25;/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3;1H",C26H35NO4.ClH,,,,,,UNPUINKKJUSSDZ-UVGWPQHUSA-N,,,,,,,,,,,
100.037.117,240-845-4,16823-94-2,"Antimony, compound with potassium (1:3)",-,[KH].[KH].[KH].[Sb],[KH].[KH].[KH].[Sb],InChI=1/3K.Sb.3H/q3*+1;+3;;;/r3HK.Sb/h3*1H;/q3*+1;+3,K.Sb,,,,,,CVOOONSYIUQVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.094,234-216-3,10599-70-9,"1-(2,5-dimethyl-3-furyl)ethan-1-one","1-(2,5-dimethyl-3-furyl)ethanone",CC(=O)c1cc(C)oc1C,CC(=O)c1cc(C)oc1C,"InChI=1/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3",C8H10O2,,,,,,KBSVBCHYXYXDAG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.099,234-222-6,10601-61-3,1-bromo-2-chloro-2-methylpropane,1-bromo-2-chloro-2-methylpropane,CC(C)(Cl)CBr,CC(C)(Cl)CBr,"InChI=1/C4H8BrCl/c1-4(2,6)3-5/h3H2,1-2H3",C4H8BrCl,,,,,,IIVVWOUHWDRSBE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.101,234-224-7,10602-34-3,"1,1-diethoxybut-2-ene","1,1-diethoxybut-2-ene",CCOC(C=CC)OCC,CCOC(C=CC)OCC,"InChI=1/C8H16O2/c1-4-7-8(9-5-2)10-6-3/h4,7-8H,5-6H2,1-3H3",C8H16O2,,,,,,ZUMISMXLQDKQDS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.106,234-229-4,10604-69-0,Ammonium acrylate,ammonium acrylate,[NH4+].[O-]C(=O)C=C,[NH4+].[O-]C(=O)C=C,"InChI=1/C3H4O2.H3N/c1-2-3(4)5;/h2H,1H2,(H,4,5);1H3",C3H4O2.H3N,,,,,,WPKYZIPODULRBM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.110,234-234-1,10605-40-0,Chloro(3-chloropropyl)dimethylsilane,chloro(3-chloropropyl)dimethylsilane,C[Si](C)(Cl)CCCCl,C[Si](C)(Cl)CCCCl,"InChI=1/C5H12Cl2Si/c1-8(2,7)5-3-4-6/h3-5H2,1-2H3",C5H12Cl2Si,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8011,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.110,BJLJNLUARMMMLW-UHFFFAOYSA-N,,,,,,,,,,,
100.031.256,234-395-8,11139-24-5,"Cobalt, compound with gadolinium (7:2)",cobalt - gadolinium (7:2),[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Gd].[Gd],[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Gd].[Gd],InChI=1/7Co.2Gd/q7*+2;2*+3,Co.Gd,,,,,,MYLJBJIJUOZJLC-UHFFFAOYSA-N,,,,,,,,,,,
100.031.268,234-409-2,12001-85-3,"Naphthenic acids, zinc salts",zinc bis[3-(3-ethylcyclopentyl)propanoate],[Zn+2].CCC1CCC(CCC(=O)[O-])C1.CCC2CCC(CCC(=O)[O-])C2,[Zn+2].CCC1CCC(CCC(=O)[O-])C1.CCC2CCC(CCC(=O)[O-])C2,"InChI=1/2C10H18O2.Zn/c2*1-2-8-3-4-9(7-8)5-6-10(11)12;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2",-,,,,,,HNWHEAHEQDAIDC-UHFFFAOYSA-L,,,,,,,,,,,
100.033.565,236-937-9,13553-19-0,"trans-cycloheptane-1,2-diol","cycloheptane-1,2-diol",O[C@H]1CCCCC[C@@H]1O,O[C@H]1CCCCC[C@@H]1O,"InChI=1/C7H14O2/c8-6-4-2-1-3-5-7(6)9/h6-9H,1-5H2",C7H14O2,,,,,,DCYPPXGEIQTVPI-BQBZGAKWSA-N,,,,,,,,,,,
100.033.569,236-942-6,13557-75-0,Sodium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl laurate,sodium 2-{[2-(dodecanoyloxy)propanoyl]oxy}propanoate,[Na+].CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],[Na+].CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],"InChI=1/C18H32O6.Na/c1-4-5-6-7-8-9-10-11-12-13-16(19)23-15(3)18(22)24-14(2)17(20)21;/h14-15H,4-13H2,1-3H3,(H,20,21);/q;+1/p-1",C18H32O6.Na,,,,,,NTYZDAJPNNBYED-UHFFFAOYSA-M,,,,,,,,,,,
100.034.307,237-753-1,13973-44-9,Trisodium hydrogen [(octylimino)bis(methylene)]bisphosphonate,trisodium hydrogen [(octylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.3Na/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;/q;3*+1/p-4",C10H25NO6P2.3Na,,,,,,FIRBIFBLPUUEFW-UHFFFAOYSA-J,,,,,,,,,,,
100.034.308,237-754-7,13973-45-0,Trisodium hydrogen [(decylimino)bis(methylene)]bisphosphonate,trisodium hydrogen [(decylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H29NO6P2.3Na/c1-2-3-4-5-6-7-8-9-10-13(11-20(14,15)16)12-21(17,18)19;;;/h2-12H2,1H3,(H2,14,15,16)(H2,17,18,19);;;/q;3*+1/p-4",C12H29NO6P2.3Na,,,,,,SVPASOHPEFRDDA-UHFFFAOYSA-J,,,,,,,,,,,
100.034.310,237-756-8,13977-20-3,4-isopropyl-ß-methylcyclohexene-1-propan-1-ol,3-(4-isopropylcyclohex-1-en-1-yl)-2-methylpropan-1-ol,CC(CO)CC1=CCC(CC1)C(C)C,CC(CO)CC1=CCC(CC1)C(C)C,"InChI=1/C13H24O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4,10-11,13-14H,5-9H2,1-3H3",C13H24O,,,,,,BZGZKGXPTJAOCN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.311,237-757-3,13977-28-1,Embramine hydrochloride,"2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine hydrochloride",Cl.CN(C)CCOC(C)(c1ccccc1)c2ccc(Br)cc2,Cl.CN(C)CCOC(C)(c1ccccc1)c2ccc(Br)cc2,"InChI=1/C18H22BrNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H",C18H22BrNO.ClH,,,,,,JUOZATSMKDYYGH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.332,237-780-9,13986-26-0,Zirconium tetraiodide,zirconium tetraiodide,[I-].[I-].[I-].[I-].[Zr+2].[Zr+2],[I-].[I-].[I-].[I-].[Zr+2].[Zr+2],InChI=1/4HI.2Zr/h4*1H;;/q;;;;2*+2/p-4,I4Zr,,,,,,FPMSRCZHRKRQBD-UHFFFAOYSA-J,,,,,,,,,,,
100.034.340,237-789-8,13989-98-5,N-phenyl-3-(phosphonooxy)naphthalene-2-carboxamide,3-(phenylcarbamoyl)-2-naphthyl dihydrogen phosphate,OP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3,OP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3,"InChI=1/C17H14NO5P/c19-17(18-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)23-24(20,21)22/h1-11H,(H,18,19)(H2,20,21,22)",C17H14NO5P,,,,,,KVIYXIWBXOQZDN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.344,237-794-5,13993-31-2,5-bromo-1H-indole-3-butyric acid,4-(5-bromo-1H-indol-3-yl)butanoic acid,OC(=O)CCCc1c[nH]c2ccc(Br)cc12,OC(=O)CCCc1c[nH]c2ccc(Br)cc12,"InChI=1/C12H12BrNO2/c13-9-4-5-11-10(6-9)8(7-14-11)2-1-3-12(15)16/h4-7,14H,1-3H2,(H,15,16)",C12H12BrNO2,,,,,,JXXIGLYAOIPPCH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.345,237-795-0,13993-65-2,Metiazinic acid,(10-methyl-10H-phenothiazin-2-yl)acetic acid,CN1c2ccccc2Sc3ccc(CC(=O)O)cc13,CN1c2ccccc2Sc3ccc(CC(=O)O)cc13,"InChI=1/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)",C15H13NO2S,,,,,,LMINNBXUMGNKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.353,237-803-2,14002-21-2,(dimethylamino)methanol,(dimethylamino)methanol,CN(C)CO,CN(C)CO,"InChI=1/C3H9NO/c1-4(2)3-5/h5H,3H2,1-2H3",C3H9NO,,,,,,XQKRYBXCYCKQLL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.356,237-806-9,14002-89-2,"4,6-dimethyl-2-benzopyrone","4,6-dimethyl-2H-chromen-2-one",CC1=CC(=O)Oc2ccc(C)cc12,CC1=CC(=O)Oc2ccc(C)cc12,"InChI=1/C11H10O2/c1-7-3-4-10-9(5-7)8(2)6-11(12)13-10/h3-6H,1-2H3",C11H10O2,,,,,,VSSFMDMVOWSDBX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.712,241-500-0,17484-36-5,4-methyl-3-nitroanisole,4-methoxy-1-methyl-2-nitrobenzene,COc1ccc(C)c(c1)[N+](=O)[O-],COc1ccc(C)c(c1)[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3",C8H9NO3,,,,,,JBORNNNGTJSTLC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.716,241-504-2,17496-94-5,"Tetrahydro-4-methoxy-5,5-dimethyl-1H-pyrimidin-2-one","4-methoxy-5,5-dimethyltetrahydropyrimidin-2(1H)-one",COC1NC(=O)NCC1(C)C,COC1NC(=O)NCC1(C)C,"InChI=1/C7H14N2O2/c1-7(2)4-8-6(10)9-5(7)11-3/h5H,4H2,1-3H3,(H2,8,9,10)",C7H14N2O2,,,,,,JCAFJPDEUMZITK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.724,241-513-1,17508-29-1,4-(allylseleno)-1-chlorobenzene,1-(allylselanyl)-4-chlorobenzene,Clc1ccc([Se]CC=C)cc1,Clc1ccc([Se]CC=C)cc1,"InChI=1/C9H9ClSe/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2",C9H9ClSe,,,,,,YPYNRHWRFOGAGS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.735,241-525-7,17527-17-2,"3-amino-7-nitronaphthalene-1,5-disulphonic acid","3-amino-7-nitronaphthalene-1,5-disulfonic acid",Nc1cc(c2cc(cc(c2c1)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O,Nc1cc(c2cc(cc(c2c1)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C10H8N2O8S2/c11-5-1-7-8(9(2-5)21(15,16)17)3-6(12(13)14)4-10(7)22(18,19)20/h1-4H,11H2,(H,15,16,17)(H,18,19,20)",C10H8N2O8S2,,,,,,PEFKYEIJIGWGBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.738,241-528-3,17527-31-0,"3,3,4,4,4-pentafluorobutyl acrylate","3,3,4,4,4-pentafluorobutyl acrylate",FC(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C7H7F5O2/c1-2-5(13)14-4-3-6(8,9)7(10,11)12/h2H,1,3-4H2",C7H7F5O2,,,,,,AVVYSSRKCWEPBH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.199,238-735-6,14691-80-6,Trisodium hydrogen diphosphate,trisodium hydrogen diphosphate,[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3Na.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+1;;/p-6",H4O7P2.3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10339,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.199,LEAHFJQFYSDGGP-UHFFFAOYSA-H,,,,,,,,,,,
100.035.202,238-738-2,14691-88-4,"4-amino-2,2,6,6-tetramethylpiperidine 1-oxide","2,2,6,6-tetramethylpiperidin-4-amine 1-oxide",CC1(C)CC(N)CC(C)(C)[NH+]1[O-],CC1(C)CC(N)CC(C)(C)[NH+]1[O-],"InChI=1/C9H20N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,11H,5-6,10H2,1-4H3",C9H19N2O,,,,,,OJKKDSPQAAGKJR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.223,238-761-8,14712-23-3,4-[3-(4-piperidyl)propyl]piperidine-1-ethanol,2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethanol,OCCN1CCC(CCCC2CCNCC2)CC1,OCCN1CCC(CCCC2CCNCC2)CC1,"InChI=1/C15H30N2O/c18-13-12-17-10-6-15(7-11-17)3-1-2-14-4-8-16-9-5-14/h14-16,18H,1-13H2",C15H30N2O,,,,,,KTRJPKYFFZFQJB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.230,238-769-1,14723-96-7,Erbium triiodate,erbium triiodate,[Er+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Er+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/Er.3HIO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+3;;;/p-3",Er.3HIO3,,,,,,YOGVODJHAOWJKG-UHFFFAOYSA-K,,,,,,,,,,,
100.035.231,238-770-7,14723-97-8,Thulium triiodate,thulium triiodate,[Tm+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Tm+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.Tm/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",HIO3.1/3Tm,,,,,,BSUUCDACXQTNMW-UHFFFAOYSA-K,,,,,,,,,,,
100.035.236,238-775-4,14726-28-4,4-(benzoylamino)-2-methoxy-5-methylbenzenediazonium tetrachlorozincate (2:1),bis[4-(benzoylamino)-2-methoxy-5-methylbenzenediazonium] tetrachlorozincate(2-),COc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N.COc3cc(NC(=O)c4ccccc4)c(C)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,COc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N.COc3cc(NC(=O)c4ccccc4)c(C)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C15H13N3O2.4ClH.Zn/c2*1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2/r2C15H13N3O2.Cl4Zn/c2*1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;1-5(2,3)4/h2*3-9H,1-2H3;/q;;-2/p+2",C15H14N3O2.1/2Cl4Zn,,,,,,KIWIFIXMWIMRBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.035.237,238-777-5,14726-29-5,"Bis[4-benzamido-2,5-dimethoxybenzenediazonium] tetrachlorozincate(2-)","bis[4-(benzoylamino)-2,5-dimethoxybenzenediazonium] tetrachlorozincate(2-)",COc1cc([N+]#N)c(OC)cc1NC(=O)c2ccccc2.COc3cc([N+]#N)c(OC)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,COc1cc([N+]#N)c(OC)cc1NC(=O)c2ccccc2.COc3cc([N+]#N)c(OC)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C15H13N3O3.4ClH.Zn/c2*1-20-13-9-12(18-16)14(21-2)8-11(13)17-15(19)10-6-4-3-5-7-10;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2/r2C15H13N3O3.Cl4Zn/c2*1-20-13-9-12(18-16)14(21-2)8-11(13)17-15(19)10-6-4-3-5-7-10;1-5(2,3)4/h2*3-9H,1-2H3;/q;;-2/p+2",C15H14N3O3.1/2Cl4Zn,,,,,,LLARVKAOQLUCQI-UHFFFAOYSA-L,,,,,,,,,,,
100.038.507,242-373-4,18487-39-3,"2,3,5-trichloroaniline","2,3,5-trichloroaniline",Nc1cc(Cl)cc(Cl)c1Cl,Nc1cc(Cl)cc(Cl)c1Cl,"InChI=1/C6H4Cl3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2",C6H4Cl3N,,,,,,MOTBXEPLFOLWHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.515,242-382-3,18496-38-3,Iridium trinitrate,iridium(3+) trinitrate,[Ir+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ir+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ir.3NO3/c;3*2-1(3)4/q+3;3*-1,HNO3.1/3Ir,,,,,,GSNZLGXNWYUHMI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.517,242-384-4,18498-32-3,"6-hexyl-3,4-dihydro-2H-pyran-2-one","6-hexyl-3,4-dihydro-2H-pyran-2-one",CCCCCCC1=CCCC(=O)O1,CCCCCCC1=CCCC(=O)O1,"InChI=1/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h8H,2-7,9H2,1H3",C11H18O2,,,,,,JSMWNZYOWCIYJK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.518,242-386-5,18503-89-4,"N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine","1,1-diisopropoxy-N,N-dimethylmethanamine",CC(C)OC(OC(C)C)N(C)C,CC(C)OC(OC(C)C)N(C)C,"InChI=1/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3",C9H21NO2,,,,,,XOZZATXWQMOVHL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.522,242-390-7,18508-59-3,Phenyl undec-10-enoate,phenyl undec-10-enoate,C=CCCCCCCCCC(=O)Oc1ccccc1,C=CCCCCCCCCC(=O)Oc1ccccc1,"InChI=1/C17H24O2/c1-2-3-4-5-6-7-8-12-15-17(18)19-16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2",C17H24O2,,,,,,RIYUQGWFHCLLDM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.523,242-391-2,18508-61-7,"2,2'-thiobis[4,6-xylenol]","2,2'-sulfanediylbis(4,6-dimethylphenol)",Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1,Cc1cc(C)c(O)c(Sc2cc(C)cc(C)c2O)c1,"InChI=1/C16H18O2S/c1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18/h5-8,17-18H,1-4H3",C16H18O2S,,,,,,UNYRULLBEFEDBF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.525,242-393-3,18516-18-2,3-hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyde,3-hydroxy-2-(hydroxymethyl)-2-methylpropanal,CC(CO)(CO)C=O,CC(CO)(CO)C=O,"InChI=1/C5H10O3/c1-5(2-6,3-7)4-8/h2,7-8H,3-4H2,1H3",C5H10O3,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1653,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.525,CBIFNLUPCWCNQT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.526,242-394-9,18516-37-5,2-methylundec-1-ene,2-methylundec-1-ene,CCCCCCCCCC(=C)C,CCCCCCCCCC(=C)C,"InChI=1/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h2,4-11H2,1,3H3",C12H24,,,,,,SJVKHZYVCVKEGM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.527,242-395-4,18521-07-8,(Z)-2-methyloct-3-en-2-ol,2-methyloct-3-en-2-ol,CCCC\\C=C/C(C)(C)O,CCCC\C=C/C(C)(C)O,"InChI=1/C9H18O/c1-4-5-6-7-8-9(2,3)10/h7-8,10H,4-6H2,1-3H3",C9H18O,,,,,,ACFQKNIZLQUKQA-FPLPWBNLSA-N,,,,,,,,,,,
100.033.711,237-098-1,13613-55-3,4-hydroxy-3-[(4-sulpho-1-naphthyl)azo]naphthalene-1-sulphonic acid,4-hydroxy-3-[(4-sulfo-1-naphthyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)c3ccccc34,OS(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)c3ccccc34,"InChI=1/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16/h1-11,23H,(H,24,25,26)(H,27,28,29)",C20H14N2O7S2,,,,,,TVWOWDDBXAFQDG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.101,243-028-0,19398-13-1,"2-butoxyethyl 2-(2,4,5-trichlorophenoxy)propionate","2-butoxyethyl 2-(2,4,5-trichlorophenoxy)propanoate",CCCCOCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCCCOCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C15H19Cl3O4/c1-3-4-5-20-6-7-21-15(19)10(2)22-14-9-12(17)11(16)8-13(14)18/h8-10H,3-7H2,1-2H3",C15H19Cl3O4,,,,,,HKEDNNONOKONNF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.105,243-032-2,19398-61-9,"2,5-dichlorotoluene","1,4-dichloro-2-methylbenzene",Cc1cc(Cl)ccc1Cl,Cc1cc(Cl)ccc1Cl,"InChI=1/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",C7H6Cl2,,,,,,KFAKZJUYBOYVKA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.106,243-033-8,19398-83-5,"2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene","2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene",C1CC2C3CC(C=C3)C2C1,C1CC2C3CC(C=C3)C2C1,"InChI=1/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h4-5,7-10H,1-3,6H2",C10H14,,,,,,WHNYVDJJCTVMGO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.110,243-038-5,19406-49-6,2-amino-4-(trifluoromethyl)benzenethiol,2-amino-4-(trifluoromethyl)benzenethiol,Nc1cc(ccc1S)C(F)(F)F,Nc1cc(ccc1S)C(F)(F)F,"InChI=1/C7H6F3NS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2",C7H6F3NS,,,,,,MVTRQRSNYWDWMY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.114,243-042-7,19411-95-1,Praseodymium(3+) benzoate,praseodymium tribenzoate,[Pr+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,[Pr+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,"InChI=1/3C7H6O2.Pr/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3",C7H6O2.1/3Pr,,,,,,XDFGURDROXHOOM-UHFFFAOYSA-K,,,,,,,,,,,
100.039.122,243-051-6,19429-30-2,Di-tert-butyldichlorostannane,di-tert-butyl(dichloro)stannane,CC(C)(C)[Sn](Cl)(Cl)C(C)(C)C,CC(C)(C)[Sn](Cl)(Cl)C(C)(C)C,"InChI=1/2C4H9.2ClH.Sn/c2*1-4(2)3;;;/h2*1-3H3;2*1H;/q;;;;+2/p-2/rC8H18Cl2Sn/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3",C8H18Cl2Sn,,,,,,PEGCFRJASNUIPX-UHFFFAOYSA-L,,,,,,,,,,,
100.039.124,243-053-7,19430-93-4,"3,3,4,4,5,5,6,6,6-nonafluorohexene","3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2",C6H3F9,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5646,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.124,GVEUEBXMTMZVSD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.758,233-847-1,10386-84-2,"4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl","4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl",Fc1c(F)c(c(F)c(F)c1Br)c2c(F)c(F)c(Br)c(F)c2F,Fc1c(F)c(c(F)c(F)c1Br)c2c(F)c(F)c(Br)c(F)c2F,InChI=1/C12Br2F8/c13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18,C12Br2F8,,,,,,YXLMNFVUNLCJJY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.761,233-850-8,10389-10-3,Calcium DL-aspartate,calcium 2-aminosuccinate,[Ca+2].N[C@@H](CC(=O)[O-])C(=O)[O-],[Ca+2].N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2",C4H7NO4.Ca,,,,,,OPSXJNAGCGVGOG-DKWTVANSSA-L,,,,,,,,,,,
100.059.074,265-001-2,64654-06-4,Ditetradecylhydroquinone,"2,3-ditetradecylbenzene-1,4-diol",CCCCCCCCCCCCCCc1c(O)ccc(O)c1CCCCCCCCCCCCCC,CCCCCCCCCCCCCCc1c(O)ccc(O)c1CCCCCCCCCCCCCC,"InChI=1/C34H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-32(34(36)30-29-33(31)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,35-36H,3-28H2,1-2H3",C34H62O2,,,,,,LHNGROZNMQUJLP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.080,265-008-0,64677-48-1,"Undeca-1,5-dien-4-yl acetate",1-allyloct-2-en-1-yl acetate,C=CCC(C=CCCCCC)OC(C)=O,C=CCC(C=CCCCCC)OC(C)=O,"InChI=1/C13H22O2/c1-4-6-7-8-9-11-13(10-5-2)15-12(3)14/h5,9,11,13H,2,4,6-8,10H2,1,3H3",C13H22O2,,,,,,ZONKUAQAAHCPFG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.088,265-016-4,64683-40-5,"7-amino-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:2)","7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid - 2,2',2''-nitrilotriethanol (1:2)",Nc1ccc2c(O)c(N=Nc3ccc(cc3)N=Nc4ccc(cc4)S(=O)(=O)O)c(cc2c1)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,Nc1ccc2c(O)c(N=Nc3ccc(cc3)N=Nc4ccc(cc4)S(=O)(=O)O)c(cc2c1)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,"InChI=1/C22H17N5O7S2.2C6H15NO3/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31;2*8-4-1-7(2-5-9)3-6-10/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);2*8-10H,1-6H2",C22H17N5O7S2.2C6H15NO3,,,,,,SPBPZBOGFHMLAF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.089,265-018-5,64683-43-8,"2-[2-(3,5-diphenyl-1H-pyrazol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-[2-(3,5-diphenyl-1H-pyrazol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride",[Cl-].C[N+]1=C(\\C=C\\n2nc(cc2c3ccccc3)c4ccccc4)C(C)(C)c5ccccc15,[Cl-].C[N+]1=C(\C=C\n2nc(cc2c3ccccc3)c4ccccc4)C(C)(C)c5ccccc15,"InChI=1/C28H26N3.ClH/c1-28(2)23-16-10-11-17-25(23)30(3)27(28)18-19-31-26(22-14-8-5-9-15-22)20-24(29-31)21-12-6-4-7-13-21;/h4-20H,1-3H3;1H/q+1;/p-1",C28H26N3.Cl,,,,,,ONNDCIUKMBBJBQ-UHFFFAOYSA-M,,,,,,,,,,,
100.033.570,236-943-1,13557-98-7,"Butyl 2-(2,4,5-trichlorophenoxy)propionate","butyl 2-(2,4,5-trichlorophenoxy)propanoate",CCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C13H15Cl3O3/c1-3-4-5-18-13(17)8(2)19-12-7-10(15)9(14)6-11(12)16/h6-8H,3-5H2,1-2H3",C13H15Cl3O3,,,,,,VPXVRVAKKVBOLA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.575,236-948-9,13560-89-9,"1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene","1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene",ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl,ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl,"InChI=1/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2",C18H12Cl12,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11906,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.575,UGQQAJOWXNCOPY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.577,236-951-5,13561-08-5,"2,2'-[[2-(oxiranylmethoxy)-1,3-phenylene]bis(methylene)]bisoxirane","2-{[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl}oxirane",C(Oc1c(CC2CO2)cccc1CC3CO3)C4CO4,C(Oc1c(CC2CO2)cccc1CC3CO3)C4CO4,"InChI=1/C15H18O4/c1-2-10(4-12-6-16-12)15(19-9-14-8-18-14)11(3-1)5-13-7-17-13/h1-3,12-14H,4-9H2",C15H18O4,,,,,,PPEASEWKOGNDKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.580,236-954-1,13564-70-0,"N-tert-butyloxycarbonyl-L-threonine, compound with dicyclohexylamine",N-(tert-butoxycarbonyl)-L-threonine - N-cyclohexylcyclohexanamine (1:1),CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C9H17NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h11-13H,1-10H2;5-6,11H,1-4H3,(H,10,14)(H,12,13)",C12H23N.C9H17NO5,,,,,,BBZZIJOSFVOUGF-LVDJIYQJSA-N,,,,,,,,,,,
100.041.115,245-243-5,22813-31-6,Methyl 2-nitroimidazole-1-acetate,methyl (2-nitro-1H-imidazol-1-yl)acetate,COC(=O)Cn1ccnc1[N+](=O)[O-],COC(=O)Cn1ccnc1[N+](=O)[O-],"InChI=1/C6H7N3O4/c1-13-5(10)4-8-3-2-7-6(8)9(11)12/h2-3H,4H2,1H3",C6H7N3O4,,,,,,KXEHVMQCOHOQHB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.121,245-249-8,22819-91-6,7-chloroheptane-1-nitrile,7-chloroheptanenitrile,ClCCCCCCC#N,ClCCCCCCC#N,InChI=1/C7H12ClN/c8-6-4-2-1-3-5-7-9/h1-6H2,C7H12ClN,,,,,,FXBITRHTKQZLRX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.752,247-043-3,25497-36-3,Dimethylbis(phenyloctadecyl)ammonium chloride,"N,N-dimethyl-1-phenyl-N-(1-phenyloctadecyl)octadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(c1ccccc1)[N+](C)(C)C(CCCCCCCCCCCCCCCCC)c2ccccc2,[Cl-].CCCCCCCCCCCCCCCCCC(c1ccccc1)[N+](C)(C)C(CCCCCCCCCCCCCCCCC)c2ccccc2,"InChI=1/C50H88N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-49(47-41-35-33-36-42-47)51(3,4)50(48-43-37-34-38-44-48)46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h33-38,41-44,49-50H,5-32,39-40,45-46H2,1-4H3;1H/q+1;/p-1",C50H88N.Cl,,,,,,VKKFFBIFTHUFEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.758,247-050-1,25505-83-3,"N-(5,10,15,16,17,18,19,24-octahydro-5,10,15,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:5,4-a']dicarbazol-4-yl)benzamide","N-(5,10,15,17,19,24-hexaoxo-5,10,15,16,17,18,19,24-octahydrodinaphtho[2,3-i:2,3-i']benzo[1,2-a:5,4-a']dicarbazol-4-yl)benzamide",O=C(Nc1cccc2C(=O)c3c(ccc4C5=CC=C6C(=O)c7ccc8C9=CC=C%10C(=O)C%11=C(C=C%10C9=Nc8c7C=C6C5=Nc34)C(=O)CC(=O)C%11)C(=O)c12)c%12ccccc%12,O=C(Nc1cccc2C(=O)c3c(ccc4C5=CC=C6C(=O)c7ccc8C9=CC=C%10C(=O)C%11=C(C=C%10C9=Nc8c7C=C6C5=Nc34)C(=O)CC(=O)C%11)C(=O)c12)c%12ccccc%12,"InChI=1/C49H23N3O7/c53-22-17-36-32(38(54)18-22)19-33-29(46(36)56)15-10-23-24-9-13-27-34(42(24)51-41(23)33)20-35-28(45(27)55)14-11-25-26-12-16-31-40(44(26)52-43(25)35)48(58)30-7-4-8-37(39(30)47(31)57)50-49(59)21-5-2-1-3-6-21/h1-16,19-20H,17-18H2,(H,50,59)",C49H23N3O7,,,,,,WPBSEZZBGRUJAL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.759,247-051-7,25505-84-4,"N,N',N''-(5,10,15,16,17,18,19,24-octahydro-5,10,15,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:5,4-a']dicarbazole-1,4,9-triyl)tris(benzamide)","N,N',N''-(5,10,15,17,19,24-hexaoxo-5,10,15,16,17,18,19,24-octahydrodinaphtho[2,3-i:2,3-i']benzo[1,2-a:5,4-a']dicarbazole-1,4,9-triyl)tribenzamide",O=C(NC1=C2C(=O)c3ccc4C5=CC=C6C(=O)C7=C(C=C6C5=Nc4c3C=C2C8=Nc9c(ccc%10C(=O)c%11c(NC(=O)c%12ccccc%12)ccc(NC(=O)c%13ccccc%13)c%11C(=O)c9%10)C8=C1)C(=O)CC(=O)C7)c%14ccccc%14,O=C(NC1=C2C(=O)c3ccc4C5=CC=C6C(=O)C7=C(C=C6C5=Nc4c3C=C2C8=Nc9c(ccc%10C(=O)c%11c(NC(=O)c%12ccccc%12)ccc(NC(=O)c%13ccccc%13)c%11C(=O)c9%10)C8=C1)C(=O)CC(=O)C7)c%14ccccc%14,"InChI=1/C63H33N5O9/c69-32-24-43-39(48(70)25-32)26-40-36(57(43)71)19-16-33-34-17-20-37-41(54(34)67-53(33)40)27-44-49(58(37)72)47(66-63(77)31-14-8-3-9-15-31)28-42-35-18-21-38-50(56(35)68-55(42)44)60(74)52-46(65-62(76)30-12-6-2-7-13-30)23-22-45(51(52)59(38)73)64-61(75)29-10-4-1-5-11-29/h1-23,26-28H,24-25H2,(H,64,75)(H,65,76)(H,66,77)",C63H33N5O9,,,,,,XTHQWSQCTNKPRW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.768,247-061-1,25512-42-9,Dichlorobiphenyl,"2,2'-dichlorobiphenyl",Clc1ccccc1c2ccccc2Cl,Clc1ccccc1c2ccccc2Cl,InChI=1/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,C12H8Cl2,,,,,,JAYCNKDKIKZTAF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.772,247-065-3,25519-07-7,Terbium(3+) acetate,terbium(3+) triacetate,[Tb+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Tb+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Tb/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Tb,,,,,,JQBILSNVGUAPMM-UHFFFAOYSA-K,,,,,,,,,,,
100.037.744,241-535-1,17550-03-7,"3-methoxy-19-nor-17-a-pregna-1,3,5(10)-trien-17-ß-ol","17-ethyl-3-methoxyestra-1,3,5(10)-trien-17-ol",CCC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC12C,CCC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC12C,"InChI=1/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3",C21H30O2,,,,,,NVYBDSYHTNOJSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.967,237-379-9,13767-78-7,Lead disulphamidate,-,[Pb+2].NS(=O)(=O)[O-].[O-]S(N)(=O)=O,[Pb+2].NS(=O)(=O)[O-].[O-]S(N)(=O)=O,"InChI=1/2H3NO3S.Pb.2H/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;+4;;/p-2/r2H3NO3S.H2Pb/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);1H2/q;;+4/p-2",H3NO3S.1/2Pb,,,,,,ZOWGRGPFDVHBAE-UHFFFAOYSA-L,,,,,,,,,,,
100.033.981,237-395-6,13770-87-1,Aluminium trisulphamate,aluminum trisulfamate,[Al+3].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Al+3].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Al.3H3NO3S/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-3",Al.3H3NO3S,,,,,,NLXYLZCLIHHPMA-UHFFFAOYSA-K,,,,,,,,,,,
100.033.991,237-405-9,13775-07-0,Uranium pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[U+2],[F-].[F-].[F-].[F-].[F-].[U+2],InChI=1/5FH.U/h5*1H;/q;;;;;+2/p-5,F5U,,,,,,YKLDBRIIJYAXGS-UHFFFAOYSA-I,,,,,,,,,,,
100.033.993,237-408-5,13775-30-9,Triammonium hydrogen disulphate,triammonium hydrogen disulphate,[NH4+].[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H3N.2H2O4S/c;;;2*1-5(2,3)4/h3*1H3;2*(H2,1,2,3,4)/p-1",H3N.2/3H2O4S,,,,,,LSQBSJGVGHPYAZ-UHFFFAOYSA-M,,,,,,,,,,,
100.033.994,237-409-0,13775-52-5,Tripotassium hexafluoroaluminate,tripotassium hexafluoroaluminate(3-),[K+].[K+].[K+].F[Al-3](F)(F)(F)(F)F,[K+].[K+].[K+].F[Al-3](F)(F)(F)(F)F,"InChI=1/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6/rAlF6.3K/c2-1(3,4,5,6)7;;;/q-3;3*+1",AlF6.3K,,,,,,ZIZQEDPMQXFXTE-UHFFFAOYSA-H,,,,,,,,,,,
100.033.999,237-414-8,13776-84-6,Trisodium tetrathioantimonate,trisodium tetrathioantimonate,[Na+].[Na+].[Na+].[S-][Sb](=S)([S-])[S-],[Na+].[Na+].[Na+].[S-][Sb](=S)([S-])[S-],"InChI=1/3Na.4S.Sb/q3*+1;;3*-1;/r3Na.S4Sb/c;;;1-5(2,3)4/q3*+1;-3",Na.1/3S4Sb,,,,,,MKNBKQYQGZFGIX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.501,239-067-8,14984-68-0,1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]piperidinium chloride,1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidinium chloride,[Cl-].Clc1ccc(cc1)C(OCC[NH+]2CCCCC2)c3ccccc3,[Cl-].Clc1ccc(cc1)C(OCC[NH+]2CCCCC2)c3ccccc3,"InChI=1/C20H24ClNO.ClH/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;/h1,3-4,7-12,20H,2,5-6,13-16H2;1H",C20H24ClNO.ClH,,,,,,UNPLRYRWJLTVAE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.504,239-070-4,14986-21-1,Hexachlorodisiloxane,hexachlorodisiloxane,Cl[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl,"InChI=1/Cl6OSi2/c1-8(2,3)7-9(4,5)6",Cl6OSi2,,,,,,QHAHOIWVGZZELU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.521,235-787-1,12736-96-8,"Silicic acid, aluminum potassium sodium salt",-,[Na+].[Al+3].[K+].[O-][Si](=O)[O-],[Na+].[Al+3].[K+].[O-][Si](=O)[O-],InChI=1/Al.K.Na.O3Si/c;;;1-4(2)3/q+3;2*+1;-2,-,,,,,,NKHZFPNXELSNSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.527,235-793-4,12738-56-6,"Silicic acid, sodium zirconium salt",-,[Na+].[Zr+2].[O-][Si](=O)[O-],[Na+].[Zr+2].[O-][Si](=O)[O-],InChI=1/Na.O3Si.Zr/c;1-4(2)3;/q+1;-2;+2,-,,,,,,CAHHIDFORIKNCV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.532,235-799-7,12751-23-4,"Phosphoric acid, dodecyl ester",dodecyl dihydrogen phosphate,CCCCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCCCOP(=O)(O)O,"InChI=1/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)",-,,,,,,TVACALAUIQMRDF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.533,235-800-0,12758-40-6,"3,3'-(1,3-dioxo-1,3-digermoxanediyl)dipropionic acid","3,3'-(1,3-dioxodigermoxane-1,3-diyl)dipropanoic acid",OC(=O)CC[Ge](=O)O[Ge](=O)CCC(=O)O,OC(=O)CC[Ge](=O)O[Ge](=O)CCC(=O)O,"InChI=1/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)",C6H10Ge2O7,,,,,,XEABSBMNTNXEJM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.534,235-801-6,12765-06-9,"Silicic acid, calcium magnesium salt",-,[Mg+2].[Ca+2].[O-][Si](=O)[O-],[Mg+2].[Ca+2].[O-][Si](=O)[O-],InChI=1/Ca.Mg.O3Si/c;;1-4(2)3/q2*+2;-2,-,,,,,,FDXWGZGILGYCLB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.537,235-805-8,12768-44-4,"4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-a-l-mannopyranosyl)-ß-d-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, hydrogen sulfate, sodium salt",-,[Na+].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,[Na+].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C27H30O19S.Na/c1-8-17(32)20(35)22(37)26(42-8)41-7-15-18(33)21(36)25(46-47(38,39)40)27(44-15)45-24-19(34)16-13(31)5-10(28)6-14(16)43-23(24)9-2-3-11(29)12(30)4-9;/h2-6,8,15,17-18,20-22,25-33,35-37H,7H2,1H3,(H,38,39,40);/q;+1",-,,,,,,VGZZWROVTVHQHQ-OICIEYKRSA-N,,,,,,,,,,,
100.032.540,235-808-4,12769-09-4,"Trisodium 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]-4-sulphonatobenzoate","trisodium 2-chloro-5-{[3-methyl-5-oxo-1-(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatobenzoate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cc(C([O-])=O)c(Cl)cc2S([O-])(=O)=O)C3=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cc(C([O-])=O)c(Cl)cc2S([O-])(=O)=O)C3=O,"InChI=1/C19H17ClN4O12S3.3Na/c1-10-17(22-21-15-8-13(19(26)27)14(20)9-16(15)38(30,31)32)18(25)24(23-10)11-2-4-12(5-3-11)37(28,29)7-6-36-39(33,34)35;;;/h2-5,8-9,17H,6-7H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3",C19H17ClN4O12S3.3Na,,,,,,JVWFJQBGRJXMOM-UHFFFAOYSA-K,,,,,,,,,,,
100.038.535,242-405-7,18530-33-1,Exo-bicyclo[2.2.1]hept-2-yl isothiocyanate,2-isothiocyanatobicyclo[2.2.1]heptane,S=C=N[C@H]1C[C@@H]2CC[C@H]1C2,S=C=N[C@H]1C[C@@H]2CC[C@H]1C2,"InChI=1/C8H11NS/c10-5-9-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2",C8H11NS,,,,,,RBGDFYZLQKZUCO-CSMHCCOUSA-N,,,,,,,,,,,
100.038.539,242-409-9,18536-91-9,Dodecyltriethoxysilane,dodecyl(triethoxy)silane,CCCCCCCCCCCC[Si](OCC)(OCC)OCC,CCCCCCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3",C18H40O3Si,,,,,,YGUFXEJWPRRAEK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.542,242-413-0,18543-68-5,Magnesium L-glutamate,magnesium 2-aminopentanedioate,[Mg+2].N[C@@H](CCC(=O)[O-])C(=O)[O-],[Mg+2].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.Mg/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+2/p-2",C10H14MgN2O8.2H,,,,,,WNPYNOGQURLHSF-DFWYDOINSA-L,,,,,,,,,,,
100.038.543,242-414-6,18544-67-7,Trichloro(3-methylbutyl)silane,trichloro(3-methylbutyl)silane,CC(C)CC[Si](Cl)(Cl)Cl,CC(C)CC[Si](Cl)(Cl)Cl,"InChI=1/C5H11Cl3Si/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3",C5H11Cl3Si,,,,,,KGCMULKNBVAHBS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.549,242-420-9,18549-40-1,"1,2-O-isopropylidene-a-D-glucofuranose","1,2-O-isopropylidene-alpha-D-glucofuranose",CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O1,CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O1,"InChI=1/C9H16O6/c1-9(2)14-7-5(12)6(4(11)3-10)13-8(7)15-9/h4-8,10-12H,3H2,1-2H3",C9H16O6,,,,,,BGGCXQKYCBBHAH-OZRXBMAMSA-N,,,,,,,,,,,
100.033.757,237-148-2,13669-70-0,Nefopam,"5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine",CN1CCOC(c2ccccc2)c3ccccc3C1,CN1CCOC(c2ccccc2)c3ccccc3C1,"InChI=1/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3",C17H19NO,,,,,,RGPDEAGGEXEMMM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.759,237-150-3,13670-39-8,"1-(4,5-dihydrooxazol-2-yl)acetone","1-(4,5-dihydro-1,3-oxazol-2-yl)acetone",CC(=O)CC1=NCCO1,CC(=O)CC1=NCCO1,"InChI=1/C6H9NO2/c1-5(8)4-6-7-2-3-9-6/h2-4H2,1H3",C6H9NO2,,,,,,MZKKDCLSTQPJPX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.764,237-156-6,13673-53-5,Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate,pentachlorophenyl N-[(benzyloxy)carbonyl]isoleucinate,CCC(C)C(NC(=O)OCc1ccccc1)C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,CCC(C)C(NC(=O)OCc1ccccc1)C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,"InChI=1/C20H18Cl5NO4/c1-3-10(2)17(26-20(28)29-9-11-7-5-4-6-8-11)19(27)30-18-15(24)13(22)12(21)14(23)16(18)25/h4-8,10,17H,3,9H2,1-2H3,(H,26,28)",C20H18Cl5NO4,,,,,,PPNLLOVLDBYAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.766,237-158-7,13674-84-5,Tris(2-chloro-1-methylethyl) phosphate,tris(2-chloro-1-methylethyl) phosphate,CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,"InChI=1/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3",C9H18Cl3O4P,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1714,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.766,KVMPUXDNESXNOH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.770,237-162-9,13676-02-3,2-chloro-6-methoxyquinoline,2-chloro-6-methoxyquinoline,COc1ccc2nc(Cl)ccc2c1,COc1ccc2nc(Cl)ccc2c1,"InChI=1/C10H8ClNO/c1-13-8-3-4-9-7(6-8)2-5-10(11)12-9/h2-6H,1H3",C10H8ClNO,,,,,,ZFEJTYQUWRVCFW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.771,237-163-4,13676-54-5,"1,1'-(methylenedi-p-phenylene)bismaleimide","1,1'-(methylenedi-4,1-phenylene)bis(1H-pyrrole-2,5-dione)",O=C1C=CC(=O)N1c2ccc(Cc3ccc(cc3)N4C(=O)C=CC4=O)cc2,O=C1C=CC(=O)N1c2ccc(Cc3ccc(cc3)N4C(=O)C=CC4=O)cc2,"InChI=1/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2",C21H14N2O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11119,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.771,XQUPVDVFXZDTLT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.773,237-166-0,13676-85-2,Tricyclohexyl trithiophosphite,tricyclohexyl trithiophosphite,C1CCC(CC1)SP(SC2CCCCC2)SC3CCCCC3,C1CCC(CC1)SP(SC2CCCCC2)SC3CCCCC3,"InChI=1/C18H33PS3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h16-18H,1-15H2",C18H33PS3,,,,,,SVUVNJONFSNDKX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.778,237-171-8,13678-60-9,Furfuryl isovalerate,2-furylmethyl 3-methylbutanoate,CC(C)CC(=O)OCc1occc1,CC(C)CC(=O)OCc1occc1,"InChI=1/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3",C10H14O3,,,,,,FKGUIBCHHSHJNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.784,237-178-6,13679-70-4,5-methylthiophene-2-carbaldehyde,5-methylthiophene-2-carbaldehyde,Cc1ccc(C=O)s1,Cc1ccc(C=O)s1,"InChI=1/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",C6H6OS,,,,,,VAUMDUIUEPIGHM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.791,237-185-4,13680-35-8,"4,4'-methylenebis[2,6-diethylaniline]","4,4'-methylenebis(2,6-diethylaniline)",CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N,CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N,"InChI=1/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3",C21H30N2,,,,,,NWIVYGKSHSJHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.797,237-192-2,13682-73-0,Potassium dicyanocuprate,potassium bis(cyano-kappaC)cuprate(1-),[K+].N#C[Cu-]C#N,[K+].N#C[Cu-]C#N,InChI=1/2CN.Cu.K/c2*1-2;;/q;;;+1/rC2CuN2.K/c4-1-3-2-5;/q;+1,C2CuN2.K,,,,,,PACGVSFGQWSROQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.803,237-199-0,13684-63-4,Phenmedipham,3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate (non-preferred name),COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,"InChI=1/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)",C16H16N2O4,,,,,,IDOWTHOLJBTAFI-UHFFFAOYSA-N,Positive,AU377901|AU377902|AU377903|AU377904|AU377905;EA009401|EA009402|EA009403|EA009404|EA009405|EA009406|EA009407|EA009408|EA009409|EA009410|EA009411|EA009412|EA009413|EA009414,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,168.0648:136.0383:169.0677|136.0387:168.065:137.0419|136.0383:168.0647:137.0416|136.0382:137.042:168.064|136.0386:137.0427;168.0655:136.0392|168.0655:136.0394|136.0392:168.0653:108.0442|136.0393:108.0443:168.0652|136.0392:108.0443:93.0333|136.0392:108.0443:93.0335|65.0386:108.0444:121.0396|168.0655:136.0393|136.0393:168.0655:108.0443|136.0392:108.0443:168.0655|136.0392:108.0443:93.0334|136.0392:108.0443:121.0395|65.0386:108.0444:93.0335|168.0655:136.0392,Athens_Univ;Eawag,,,,,
100.059.095,265-024-8,64700-56-7,"2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate","2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate",CCCCOCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl,CCCCOCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl,"InChI=1/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3",C13H16Cl3NO4,,,,,,IVDRCZNHVGQBHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.106,265-036-3,64740-38-1,"ß,4-dimethylcyclohex-3-ene-1-propionic acid",3-(4-methylcyclohex-3-en-1-yl)butanoic acid,CC(CC(=O)O)C1CCC(=CC1)C,CC(CC(=O)O)C1CCC(=CC1)C,"InChI=1/C11H18O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3,9-10H,4-7H2,1-2H3,(H,12,13)",C11H18O2,,,,,,NQUREYWIIIRLGK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.767,261-364-6,58609-72-6,2-(4-isobutylphenyl)propionaldehyde oxime,2-(4-isobutylphenyl)propanal oxime,CC(C)Cc1ccc(cc1)C(C)\\C=N\\O,CC(C)Cc1ccc(cc1)C(C)\C=N\O,"InChI=1/C13H19NO/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14-15/h4-7,9-11,15H,8H2,1-3H3",C13H19NO,,,,,,TVVYFXMDNBMONX-NTEUORMPSA-N,,,,,,,,,,,
100.055.769,261-366-7,58613-67-5,Potassium phenoxyacetate,potassium phenoxyacetate,[K+].[O-]C(=O)COc1ccccc1,[K+].[O-]C(=O)COc1ccccc1,"InChI=1/C8H8O3.K/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1",C8H8O3.K,,,,,,FQOIDRRUJJTVSV-UHFFFAOYSA-M,,,,,,,,,,,
100.055.772,261-369-3,58632-47-6,(S)-5-[[1-benzyl-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]-2-oxoethyl]amino]-5-oxovaleric acid,5-({1-benzyl-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]-2-oxoethyl}amino)-5-oxopentanoic acid,CC1=CC(=O)Oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCC(=O)O)ccc12,CC1=CC(=O)Oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCC(=O)O)ccc12,"InChI=1/C24H24N2O6/c1-15-12-23(30)32-20-14-17(10-11-18(15)20)25-24(31)19(13-16-6-3-2-4-7-16)26-21(27)8-5-9-22(28)29/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3,(H,25,31)(H,26,27)(H,28,29)",C24H24N2O6,,,,,,OTPFOMJAYSBYOD-IBGZPJMESA-N,,,,,,,,,,,
100.055.791,261-390-8,58684-54-1,"(6R-trans)-3-(acetoxymethyl)-7-[(4-chloro-1,3-dioxobutyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",3-(acetoxymethyl)-7-[(4-chloro-3-oxobutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)CC(=O)CCl)C2=O)C(=O)O,CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)CC(=O)CCl)C2=O)C(=O)O,"InChI=1/C14H15ClN2O7S/c1-6(18)24-4-7-5-25-13-10(16-9(20)2-8(19)3-15)12(21)17(13)11(7)14(22)23/h10,13H,2-5H2,1H3,(H,16,20)(H,22,23)",C14H15ClN2O7S,,,,,,IKRWLWZYTNQCOD-GWCFXTLKSA-N,,,,,,,,,,,
100.055.793,261-392-9,58690-81-6,(S)-2-benzamido-3-(p-hydroxyphenyl)propionamide,Nalpha-benzoyltyrosinamide,NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccccc2,NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccccc2,"InChI=1/C16H16N2O3/c17-15(20)14(10-11-6-8-13(19)9-7-11)18-16(21)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H2,17,20)(H,18,21)",C16H16N2O3,,,,,,QYBPBEKJXBRSGI-AWEZNQCLSA-N,,,,,,,,,,,
100.055.795,261-395-5,58697-03-3,"5,5-dimethyl-1,3-dioxane-2-propionaldehyde","3-(5,5-dimethyl-1,3-dioxan-2-yl)propanal",CC1(C)COC(CCC=O)OC1,CC1(C)COC(CCC=O)OC1,"InChI=1/C9H16O3/c1-9(2)6-11-8(12-7-9)4-3-5-10/h5,8H,3-4,6-7H2,1-2H3",C9H16O3,,,,,,WLUYPGQZOFXAFA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.802,261-402-1,58715-13-2,"Dioctyl hydrogen phosphate, compound with (Z)-1-[3-(octadec-9-enylamino)propyl]-1H-pyrrole-2,5-dione (1:1)","dioctyl hydrogen phosphate - 1-[3-(octadec-9-en-1-ylamino)propyl]-1H-pyrrole-2,5-dione (1:1)",CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCC\\C=C/CCCCCCCCNCCCN1C(=O)C=CC1=O,CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCC\C=C/CCCCCCCCNCCCN1C(=O)C=CC1=O,"InChI=1/C25H44N2O2.C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-23-27-24(28)19-20-25(27)29;1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h9-10,19-20,26H,2-8,11-18,21-23H2,1H3;3-16H2,1-2H3,(H,17,18)",C25H44N2O2.C16H35O4P,,,,,,OEYUWWCFXWJQJJ-KVVVOXFISA-N,,,,,,,,,,,
100.055.803,261-403-7,58718-78-8,Methylbut-1-ene,pent-2-ene,CCC=CC,CCC=CC,"InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",C5H10,,,,,,QMMOXUPEWRXHJS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.806,261-406-3,58725-33-0,Sodium 5-oxo-1-palmitoyl-L-prolinate,sodium 5-oxo-1-palmitoylpyrrolidine-2-carboxylate,[Na+].CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCC1=O)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCC1=O)C(=O)[O-],"InChI=1/C21H37NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(25)26)16-17-20(22)24;/h18H,2-17H2,1H3,(H,25,26);/q;+1/p-1",C21H39NO3.Na,,,,,,YHJSWPBXHVITHU-FERBBOLQSA-M,,,,,,,,,,,
100.055.273,260-820-1,57576-09-7,Isopulegyl acetate,2-isopropenyl-5-methylcyclohexyl acetate,CC1CCC(C(C1)OC(=O)C)C(=C)C,CC1CCC(C(C1)OC(=O)C)C(=C)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3",C12H20O2,,,,,,HLHIVJRLODSUCI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.275,260-822-2,57576-15-5,"2,6,6-trimethyl-1-cyclohexene-1-acetonitrile","(2,6,6-trimethylcyclohex-1-en-1-yl)acetonitrile",CC1=C(CC#N)C(C)(C)CCC1,CC1=C(CC#N)C(C)(C)CCC1,"InChI=1/C11H17N/c1-9-5-4-7-11(2,3)10(9)6-8-12/h4-7H2,1-3H3",C11H17N,,,,,,UYIKUHRHWRRKCH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.280,260-828-5,57583-34-3,"2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3/rC31H60O6S3Sn/c1-8-14-17-26(11-4)20-35-29(32)23-38-41(7,39-24-30(33)36-21-27(12-5)18-15-9-2)40-25-31(34)37-22-28(13-6)19-16-10-3/h26-28H,8-25H2,1-7H3",C31H60O6S3Sn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14432,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.280,ACRNSUGLVQJCOM-UHFFFAOYSA-K,,,,,,,,,,,
100.055.289,260-837-4,57589-85-2,"Potassium 2,3,4,5-tetrachloro-6-[[[3-[[(heptadecafluorooctyl)sulphonyl]oxy]phenyl]amino]carbonyl]benzoate","potassium 2,3,4,5-tetrachloro-6-[(3-{[(heptadecafluorooctyl)sulfonyl]oxy}phenyl)carbamoyl]benzoate",[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,"InChI=1/C22H6Cl4F17NO6S.K/c23-9-7(8(14(46)47)10(24)12(26)11(9)25)13(45)44-5-2-1-3-6(4-5)50-51(48,49)22(42,43)20(37,38)18(33,34)16(29,30)15(27,28)17(31,32)19(35,36)21(39,40)41;/h1-4H,(H,44,45)(H,46,47);/q;+1/p-1",C22H6Cl4F17NO6S.K,,,,,,HZRBKZMKUYGJRU-UHFFFAOYSA-M,,,,,,,,,,,
100.055.293,260-842-1,57597-62-3,"3,3-dimethoxypropiononitrile","3,3-dimethoxypropanenitrile",COC(CC#N)OC,COC(CC#N)OC,"InChI=1/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3",C5H9NO2,,,,,,JYHSJQNYYLGMEI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.304,260-854-7,57618-26-5,Calcium bis[(S)-3-phenyllactate],calcium bis(2-hydroxy-3-phenylpropanoate),[Ca+2].O[C@@H](Cc1ccccc1)C(=O)[O-].O[C@@H](Cc2ccccc2)C(=O)[O-],[Ca+2].O[C@@H](Cc1ccccc1)C(=O)[O-].O[C@@H](Cc2ccccc2)C(=O)[O-],"InChI=1/2C9H10O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5,8,10H,6H2,(H,11,12);/q;;+2/p-2",C9H10O3.1/2Ca,,,,,,OLPHGSKFJSNPOA-QXGOIDDHSA-L,,,,,,,,,,,
100.055.306,260-856-8,57625-97-5,"Succinic acid, compound with 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole (1:2)","2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole succinate (2:1)",OC(=O)CCC(=O)O.C1CN=C(N1)C2CC2(c3ccccc3)c4ccccc4.C5CN=C(N5)C6CC6(c7ccccc7)c8ccccc8,OC(=O)CCC(=O)O.C1CN=C(N1)C2CC2(c3ccccc3)c4ccccc4.C5CN=C(N5)C6CC6(c7ccccc7)c8ccccc8,"InChI=1/2C18H18N2.C4H6O4/c2*1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17;5-3(6)1-2-4(7)8/h2*1-10,16H,11-13H2,(H,19,20);1-2H2,(H,5,6)(H,7,8)",C18H18N2.1/2C4H6O4,,,,,,CWPXTCGHZPJPMI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.310,260-861-5,57632-67-4,"(±)-1-benzoyl-N,N-dibutyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-dibutyl-5-oxoprolinamide",CCCCN(CCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CCCCN(CCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C20H28N2O3/c1-3-5-14-21(15-6-4-2)20(25)17-12-13-18(23)22(17)19(24)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3",C20H28N2O3,,,,,,ZASBADBZECAFKT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.166,262-902-2,61692-79-3,Phenethyl 2-methylisocrotonate,2-phenylethyl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OCCc1ccccc1,C\C=C(\C)/C(=O)OCCc1ccccc1,"InChI=1/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3",C13H16O2,,,,,,KVMWYGAYARXPOL-JYOAFUTRSA-N,,,,,,,,,,,
100.057.168,262-904-3,61692-81-7,3-methylpentyl 2-methylcrotonate,3-methylpentyl 2-methylbut-2-enoate,CCC(C)CCOC(=O)\\C(=C\\C)\\C,CCC(C)CCOC(=O)\C(=C\C)\C,"InChI=1/C11H20O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h6,9H,5,7-8H2,1-4H3",C11H20O2,,,,,,UKYIGGARIIFOAB-UXBLZVDNSA-N,,,,,,,,,,,
100.057.202,262-942-0,61734-44-9,"5-oxo-DL-proline, compound with 6-amino-2-methylheptan-2-ol (1:1)",5-oxo-L-proline - 6-amino-2-methylheptan-2-ol (1:1),CC(N)CCCC(C)(C)O.OC(=O)[C@@H]1CCC(=O)N1,CC(N)CCCC(C)(C)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H19NO.C5H7NO3/c1-7(9)5-4-6-8(2,3)10;7-4-2-1-3(6-4)5(8)9/h7,10H,4-6,9H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C8H19NO.C5H7NO3,,,,,,PJVIBXYXAYCWIJ-HVDRVSQOSA-N,,,,,,,,,,,
100.057.203,262-943-6,61741-09-1,"1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate","1-ethyl-2-heptadec-8-en-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",OCC[N+]1(CC)CC\\N=C1\\CCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OCC,OCC[N+]1(CC)CC\N=C1\CCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OCC,"InChI=1/C24H47N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27;1-2-6-7(3,4)5/h11-12,27H,3-10,13-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C24H47N2O.C2H5O4S,,,,,,JPBSKTZADDYQLF-UHFFFAOYSA-M,,,,,,,,,,,
100.061.768,267-964-4,67968-42-7,"Methyl cis-3-formyl-2,2-dimethylcyclopropanecarboxylate","methyl 3-formyl-2,2-dimethylcyclopropanecarboxylate",COC(=O)C1C(C=O)C1(C)C,COC(=O)C1C(C=O)C1(C)C,"InChI=1/C8H12O3/c1-8(2)5(4-9)6(8)7(10)11-3/h4-6H,1-3H3",C8H12O3,,,,,,KVSRWNPBUMDYOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.773,267-970-7,67969-59-9,"4-methyl-2-(1-methylpropyl)-1,3-dioxane","2-sec-butyl-4-methyl-1,3-dioxane",CCC(C)C1OCCC(C)O1,CCC(C)C1OCCC(C)O1,"InChI=1/C9H18O2/c1-4-7(2)9-10-6-5-8(3)11-9/h7-9H,4-6H2,1-3H3",C9H18O2,,,,,,FPTZRJSOBHEGPH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.778,267-975-4,67969-68-0,Gallium 2-ethylhexanoate,gallium tris(2-ethylhexanoate),[Ga+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ga+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Ga/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Ga,,,,,,CMTDWDRSVXZCDI-UHFFFAOYSA-K,,,,,,,,,,,
100.042.776,247-070-0,25519-78-2,p-fluorophenyl 4-piperidyl ketone hydrochloride,(4-fluorophenyl)(piperidin-4-yl)methanone hydrochloride,Cl.Fc1ccc(cc1)C(=O)C2CCNCC2,Cl.Fc1ccc(cc1)C(=O)C2CCNCC2,"InChI=1/C12H14FNO.ClH/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2;1H",C12H14FNO.ClH,,,,,,GPKDBZQZPNOBGM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.779,247-073-7,25523-97-1,Dexchlorpheniramine,"3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine",CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2,CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2,"InChI=1/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",C16H19ClN2,,,,,,SOYKEARSMXGVTM-HNNXBMFYSA-N,,,,,,,,,,,
100.042.781,247-075-8,25525-60-4,"Oleic acid, compound with 1-aminopropan-2-ol (1:1)",octadec-9-enoic acid - 1-aminopropan-2-ol (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CC(O)CN,CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(O)CN,"InChI=1/C18H34O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3,5H,2,4H2,1H3",C18H34O2.C3H9NO,,,,,,BUBXSAWBUBKGAQ-KVVVOXFISA-N,,,,,,,,,,,
100.032.133,235-359-4,12187-46-1,"Cobalt, compound with samarium (3:1)",cobalt - samarium (3:1),[Co].[Co].[Co].[Sm],[Co].[Co].[Co].[Sm],InChI=1/3Co.Sm/q4*+2,Co.Sm,,,,,,SBLDVTJDWWKDPL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.139,235-366-2,12193-47-4,"Bis(pentane-2,4-dionato-O,O')strontium",strontium bis(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Sr]OC(=CC(=O)C)C,CC(=O)C=C(C)O[Sr]OC(=CC(=O)C)C,"InChI=1/2C5H8O2.Sr/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2",C10H14O4Sr,,,,,,UMBFGWVRZIHXCK-UHFFFAOYSA-L,,,,,,,,,,,
100.032.144,235-372-5,12196-72-4,"Lanthanum, compound with nickel (1:5)",lanthanum - nickel (1:5),[Ni].[Ni].[Ni].[Ni].[Ni].[La],[Ni].[Ni].[Ni].[Ni].[Ni].[La],InChI=1/La.5Ni/q+3;5*+2,La.Ni,,,,,,BUCVQDCWULHLJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.168,235-398-7,12217-43-5,1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]anthraquinone,"1-amino-4-({4-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone",CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C23H21N3O2/c1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27/h3-12,25H,13,24H2,1-2H3",C23H21N3O2,,,,,,IVFRHOQHKQWEHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.172,235-402-7,12217-80-0,"4,11-diamino-2-(3-methoxypropyl)-1H-naphth[2,3-f]isoindol-1,3,5,10(2H)-tetrone","4,11-diamino-2-(3-methoxypropyl)-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",COCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,COCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C20H17N3O5/c1-28-8-4-7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-2-3-6-10(9)18(12)25/h2-3,5-6H,4,7-8,21-22H2,1H3",C20H17N3O5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17271,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.172,WBCXRDHKXHADQF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.175,235-405-3,12219-30-6,"Sodium hydrogen -2-hydroxy-5-[[4-[[4-[(4-hydroxy-3-sulphonatophenyl)amino]phenyl](1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulphonate","sodium 2-hydroxy-5-({4-[{4-[(4-hydroxy-3-sulfophenyl)amino]phenyl}(1-methyl-2-phenyl-1H-indol-3-yl)methylene]cyclohexa-2,5-dien-1-ylidene}amino)benzenesulfonate",Cn1c(c2ccccc2)c(C(=C3C=CC(=Nc4ccc(O)c(c4)S(=O)(=O)O[Na])C=C3)c5ccc(Nc6ccc(O)c(c6)S(=O)(=O)O)cc5)c7ccccc17,Cn1c(c2ccccc2)c(C(=C3C=CC(=Nc4ccc(O)c(c4)S(=O)(=O)O[Na])C=C3)c5ccc(Nc6ccc(O)c(c6)S(=O)(=O)O)cc5)c7ccccc17,"InChI=1/C40H31N3O8S2.Na/c1-43-33-10-6-5-9-32(33)39(40(43)27-7-3-2-4-8-27)38(25-11-15-28(16-12-25)41-30-19-21-34(44)36(23-30)52(46,47)48)26-13-17-29(18-14-26)42-31-20-22-35(45)37(24-31)53(49,50)51;/h2-24,41,44-45H,1H3,(H,46,47,48)(H,49,50,51);/q;+1/p-1/rC40H30N3NaO8S2/c1-43-33-10-6-5-9-32(33)39(40(43)27-7-3-2-4-8-27)38(25-11-15-28(16-12-25)41-30-19-21-34(45)36(23-30)53(47,48)49)26-13-17-29(18-14-26)42-31-20-22-35(46)37(24-31)54(50,51)52-44/h2-24,41,45-46H,1H3,(H,47,48,49)",C40H31N3O8S2.Na,,,,,,WYGXRAJPLKXGEM-UHFFFAOYSA-M,,,,,,,,,,,
100.031.272,234-413-4,12002-48-1,Trichlorobenzene,"1,2,3-trichlorobenzene",Clc1cccc(Cl)c1Cl,Clc1cccc(Cl)c1Cl,InChI=1/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H,C6H3Cl3,,,,,,RELMFMZEBKVZJC-UHFFFAOYSA-N,,,,,,,,,,,
100.031.279,234-421-8,12003-13-3,Aluminium trititanium dodecachloride,aluminium trititanium dodecachloride,[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2],[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2],InChI=1/Al.12ClH.3Ti/h;12*1H;;;/q+3;;;;;;;;;;;;;3*+2/p-12,AlCl12Ti3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19021,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.279,QKCNNUAYHOOYFB-UHFFFAOYSA-B,,,,,,,,,,,
100.031.304,234-449-0,12004-15-8,"Aluminium, compound with copper (2:1)",aluminum - copper (2:1),[AlH3].[AlH3].[Cu],[AlH3].[AlH3].[Cu],InChI=1/2Al.Cu.6H/q2*+3;+1;;;;;;/r2AlH3.Cu/h2*1H3;/q2*+3;+1,Al.Cu,,,,,,KRLDNBXEMNGJGG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.307,234-452-7,12004-26-1,"Aluminium, compound with gadolinium (2:1)",aluminum - gadolinium (2:1),[AlH3].[AlH3].[Gd],[AlH3].[AlH3].[Gd],InChI=1/2Al.Gd.6H/q3*+3;;;;;;/r2AlH3.Gd/h2*1H3;/q3*+3,Al.Gd,,,,,,VHXFTPXEBNSMIR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.316,234-462-1,12004-83-0,"Aluminium, compound with zirconium (3:1)",aluminum - zirconium (3:1),[AlH3].[AlH3].[AlH3].[Zr],[AlH3].[AlH3].[AlH3].[Zr],InChI=1/3Al.Zr.9H/q3*+3;+2;;;;;;;;;/r3AlH3.Zr/h3*1H3;/q3*+3;+2,Al.Zr,,,,,,AIAICXHQAYJBKK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.541,235-810-5,12769-22-1,"2,2'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4-tert-butylphenol]","2,2'-{cyclohexane-1,1-diylbis[(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis(4-tert-butylphenol)",CC(C)(C)c5cc(N=Nc1ccc(cc1C)C2(CCCCC2)c4cc(C)c(N=Nc3cc(ccc3O)C(C)(C)C)cc4)c(O)cc5,CC(C)(C)c5cc(N=Nc1ccc(cc1C)C2(CCCCC2)c4cc(C)c(N=Nc3cc(ccc3O)C(C)(C)C)cc4)c(O)cc5,"InChI=1/C40H48N4O2/c1-26-22-30(12-16-32(26)41-43-34-24-28(38(3,4)5)14-18-36(34)45)40(20-10-9-11-21-40)31-13-17-33(27(2)23-31)42-44-35-25-29(39(6,7)8)15-19-37(35)46/h12-19,22-25,45-46H,9-11,20-21H2,1-8H3",C40H48N4O2,,,,,,GDGMMJXIBFGSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.552,235-823-6,12786-09-3,Bis[(2<U+03BE>)-D-gluco-heptonato]iron,"iron(2+) bis(2,3,4,5,6,7-hexahydroxyheptanoate) (non-preferred name)",O[C@@H]([C@H](O)[C@@H](O)C(=O)O[Fe]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO)[C@H](O)C(O)CO,O[C@@H]([C@H](O)[C@@H](O)C(=O)O[Fe]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)CO)[C@H](O)C(O)CO,"InChI=1/2C7H14O8.Fe/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2",C14H26FeO16,,,,,,HSPKORNFDDMCAR-YTESCSPLSA-L,,,,,,,,,,,
100.034.360,237-811-6,14007-05-7,Piperazine hydrobromide,piperazine hydrobromide,Br.C1CNCCN1,Br.C1CNCCN1,"InChI=1/C4H10N2.BrH/c1-2-6-4-3-5-1;/h5-6H,1-4H2;1H",C4H10N2.xBrH,,,,,,RYHBGVSBFUOHAE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.361,237-812-1,14007-30-8,"4,4'-(1-methylpentylidene)bisphenol","4,4'-hexane-2,2-diyldiphenol",CCCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,CCCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C18H22O2/c1-3-4-13-18(2,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-20H,3-4,13H2,1-2H3",C18H22O2,,,,,,ZQTPHEAGPRFALE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.369,237-821-0,14008-60-7,Cresotamide,2-hydroxy-3-methylbenzamide,Cc1cccc(C(=O)N)c1O,Cc1cccc(C(=O)N)c1O,"InChI=1/C8H9NO2/c1-5-3-2-4-6(7(5)10)8(9)11/h2-4,10H,1H3,(H2,9,11)",C8H9NO2,,,,,,NWULWVPYPIRXAU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.372,237-824-7,14013-71-9,Iron trichlorate,iron(3+) trichlorate,[Fe+3].[O-]Cl(=O)=O.[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Fe+3].[O-]Cl(=O)=O.[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/3ClHO3.Fe/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",ClHO3.1/3Fe,,,,,,JRSGPUNYCADJCW-UHFFFAOYSA-K,,,,,,,,,,,
100.035.875,239-479-8,15462-91-6,"3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one","3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one",CCC(C(=O)C)c1cc(OC)c(OC)cc1C(=O)c2ccc(OC)c(OC)c2,CCC(C(=O)C)c1cc(OC)c(OC)cc1C(=O)c2ccc(OC)c(OC)c2,"InChI=1/C22H26O6/c1-7-15(13(2)23)16-11-20(27-5)21(28-6)12-17(16)22(24)14-8-9-18(25-3)19(10-14)26-4/h8-12,15H,7H2,1-6H3",C22H26O6,,,,,,ZWUMDFWFKWDFBI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.887,239-492-9,15473-27-5,4-nitrobutyramide,4-nitrobutanamide,NC(=O)CCC[N+](=O)[O-],NC(=O)CCC[N+](=O)[O-],"InChI=1/C4H8N2O3/c5-4(7)2-1-3-6(8)9/h1-3H2,(H2,5,7)",C4H8N2O3,,,,,,CUSYXOQIPLRISK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.893,239-499-7,15477-33-5,Aluminium chlorate,aluminum trichlorate,[Al+3].[O-]Cl(=O)=O.[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Al+3].[O-]Cl(=O)=O.[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/Al.3ClHO3/c;3*2-1(3)4/h;3*(H,2,3,4)/q+3;;;/p-3",Al.3ClHO3,,,,,,QFIGQGUHYKRFAI-UHFFFAOYSA-K,,,,,,,,,,,
100.035.894,239-500-0,15479-57-9,"Tris(salicylato-O1,O2)aluminium",aluminum tris(2-hydroxybenzoate),Oc1ccccc1C(=O)O[Al](OC(=O)c2ccccc2O)OC(=O)c3ccccc3O,Oc1ccccc1C(=O)O[Al](OC(=O)c2ccccc2O)OC(=O)c3ccccc3O,"InChI=1/3C7H6O3.Al/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);/q;;;+3/p-3",C21H15AlO9,,,,,,GQSZLMMXKNYCTP-UHFFFAOYSA-K,,,,,,,,,,,
100.035.896,239-502-1,15481-47-7,Bis(benzoylthio)dioctylstannane,bis(benzoylsulfanyl)(dioctyl)stannane,CCCCCCCC[Sn](CCCCCCCC)(SC(=O)c1ccccc1)SC(=O)c2ccccc2,CCCCCCCC[Sn](CCCCCCCC)(SC(=O)c1ccccc1)SC(=O)c2ccccc2,"InChI=1/2C8H17.2C7H6OS.Sn/c2*1-3-5-7-8-6-4-2;2*8-7(9)6-4-2-1-3-5-6;/h2*1,3-8H2,2H3;2*1-5H,(H,8,9);/q;;;;+2/p-2/rC30H44O2S2Sn/c1-3-5-7-9-11-19-25-35(26-20-12-10-8-6-4-2,33-29(31)27-21-15-13-16-22-27)34-30(32)28-23-17-14-18-24-28/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3",C30H44O2S2Sn,,,,,,PLIJRLOOGIUVIU-UHFFFAOYSA-L,,,,,,,,,,,
100.035.900,239-506-3,15484-00-1,Cholest-5-en-3ß-yl 2-(2-ethoxyethoxy)ethyl carbonate,cholest-5-en-3-yl 2-(2-ethoxyethoxy)ethyl carbonate,CCOCCOCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCOCCOCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C34H58O5/c1-7-36-19-20-37-21-22-38-32(35)39-27-15-17-33(5)26(23-27)11-12-28-30-14-13-29(25(4)10-8-9-24(2)3)34(30,6)18-16-31(28)33/h11,24-25,27-31H,7-10,12-23H2,1-6H3",C34H58O5,,,,,,SPLKPGBQKGWBGV-DYQRUOQXSA-N,,,,,,,,,,,
100.035.902,239-508-4,15484-44-3,Sodium 2-chloroethanesulphonate,sodium 2-chloroethanesulfonate,[Na+].[O-]S(=O)(=O)CCCl,[Na+].[O-]S(=O)(=O)CCCl,"InChI=1/C2H5ClO3S.Na/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);/q;+1/p-1",C2H5ClO3S.Na,,,,,,BVIXLMYIFZGRBH-UHFFFAOYSA-M,,,,,,,,,,,
100.035.904,239-511-0,15485-76-4,"Ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxylate","ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate",CCOC(=O)C1=C(C(=O)c2c(O)cc(O)cc2O1)c3ccc(OC)cc3,CCOC(=O)C1=C(C(=O)c2c(O)cc(O)cc2O1)c3ccc(OC)cc3,"InChI=1/C19H16O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-9,20-21H,3H2,1-2H3",C19H16O7,,,,,,WIXLQXLEPYJDRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.586,234-759-6,12031-82-2,Dilithium titanate,-,[Li+].[Li+].[O-][Ti]([O-])([O-])[O-],[Li+].[Li+].[O-][Ti]([O-])([O-])[O-],"InChI=1/2Li.4O.Ti/q2*+1;4*-1;/r2Li.O4Ti/c;;1-5(2,3)4/q2*+1;-4",Li.1/2O3Ti,,,,,,UQHYRMZQMPWMMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.589,234-762-2,12032-10-9,"Antimony, compound with lutetium (1:1)",-,[Sb].[Lu],[Sb].[Lu],InChI=1/Lu.Sb/q2*+3,Lu.Sb,,,,,,INULIJUSAQYEDL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.241,238-781-7,14727-68-5,"(Z)-N,N-dimethyl-9-octadecenylamine","N,N-dimethyloctadec-9-en-1-amine",CCCCCCCC\\C=C/CCCCCCCCN(C)C,CCCCCCCC\C=C/CCCCCCCCN(C)C,"InChI=1/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h11-12H,4-10,13-20H2,1-3H3",C20H41N,,,,,,DCNHQNGFLVPROM-QXMHVHEDSA-N,,,,,,,,,,,
100.036.878,240-583-0,16517-80-9,"1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate","1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl 4-ethoxybenzenesulfonate",CCOc1ccc(cc1)S(=O)(=O)Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N,CCOc1ccc(cc1)S(=O)(=O)Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N,"InChI=1/C22H17NO7S/c1-2-29-12-7-9-13(10-8-12)31(27,28)30-17-11-16(24)18-19(20(17)23)22(26)15-6-4-3-5-14(15)21(18)25/h3-11,24H,2,23H2,1H3",C22H17NO7S,,,,,,JNVVHAUTUNBSEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.881,240-586-7,16518-17-5,Potassium nicotinate,potassium nicotinate,[K+].[O-]C(=O)c1cccnc1,[K+].[O-]C(=O)c1cccnc1,"InChI=1/C6H5NO2.K/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1",C6H5NO2.K,,,,,,WCZVUZYEOJQHNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.885,240-590-9,16522-51-3,"2,2-diethoxy-2,3,4,5-tetrahydro-1,2-benzoxasilepin","2,2-diethoxy-2,3,4,5-tetrahydro-1,2-benzoxasilepine",CCO[Si]1(CCCc2ccccc2O1)OCC,CCO[Si]1(CCCc2ccccc2O1)OCC,"InChI=1/C13H20O3Si/c1-3-14-17(15-4-2)11-7-9-12-8-5-6-10-13(12)16-17/h5-6,8,10H,3-4,7,9,11H2,1-2H3",C13H20O3Si,,,,,,LRRFYEVAVAPJFU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.889,240-595-6,16528-77-1,4-octadecylmorpholine,4-octadecylmorpholine,CCCCCCCCCCCCCCCCCCN1CCOCC1,CCCCCCCCCCCCCCCCCCN1CCOCC1,"InChI=1/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23/h2-22H2,1H3",C22H45NO,,,,,,GSMSOLOCRKCJMR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.890,240-596-1,16529-56-9,2-methyl-3-butenenitrile,2-methylbut-3-enenitrile,CC(C=C)C#N,CC(C=C)C#N,"InChI=1/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3",C5H7N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1977,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.890,WBAXCOMEMKANRN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.893,240-599-8,16530-71-5,Ammonium myristate,ammonium myristate,[NH4+].CCCCCCCCCCCCCC(=O)[O-],[NH4+].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/C14H28O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);1H3",C14H28O2.H3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5827,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.893,BJOYVZZDDFVLPI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.898,240-604-3,16533-72-5,cis-epoxysuccinic acid,"oxirane-2,3-dicarboxylic acid",OC(=O)C1OC1C(=O)O,OC(=O)C1OC1C(=O)O,"InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)",C4H4O5,,,,,,DCEMCPAKSGRHCN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.911,240-619-5,16555-77-4,a-hydroxyhippuric acid,(benzoylamino)(hydroxy)acetic acid,OC(NC(=O)c1ccccc1)C(=O)O,OC(NC(=O)c1ccccc1)C(=O)O,"InChI=1/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)",C9H9NO4,,,,,,GCWCVCCEIQXUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.912,240-620-0,16556-46-0,"4-acetyl-3,3,5,5-tetramethylcyclohexan-1-one","4-acetyl-3,3,5,5-tetramethylcyclohexanone",CC(=O)C1C(C)(C)CC(=O)CC1(C)C,CC(=O)C1C(C)(C)CC(=O)CC1(C)C,"InChI=1/C12H20O2/c1-8(13)10-11(2,3)6-9(14)7-12(10,4)5/h10H,6-7H2,1-5H3",C12H20O2,,,,,,BFDXJNAUFLSGBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.913,240-621-6,16556-48-2,"1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)ethan-1-one","1-(4-methoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone",COC1=CC(C)(C)C(C(=O)C)C(C)(C)C1,COC1=CC(C)(C)C(C(=O)C)C(C)(C)C1,"InChI=1/C13H22O2/c1-9(14)11-12(2,3)7-10(15-6)8-13(11,4)5/h7,11H,8H2,1-6H3",C13H22O2,,,,,,ZGMRSDALCWKJIM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.557,242-429-8,18591-71-4,"6-phenyl-1,2,4-triazolo[4,3-b]pyridazin-8-ol","6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol",Oc1cc(nn2cnnc12)c3ccccc3,Oc1cc(nn2cnnc12)c3ccccc3,"InChI=1/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-15-7-12-13-11(10)15/h1-7,16H",C11H8N4O,,,,,,LPYBXVBBYFEGEL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.558,242-430-3,18591-82-7,6-methylpyridazin-3-amine,6-methylpyridazin-3-amine,Cc1ccc(N)nn1,Cc1ccc(N)nn1,"InChI=1/C5H7N3/c1-4-2-3-5(6)8-7-4/h2-3H,1H3,(H2,6,8)",C5H7N3,,,,,,KAZMCIGKULUUMR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.561,242-434-5,18595-55-6,tert-butyl 8-quinolyl carbonate,tert-butyl quinolin-8-yl carbonate,CC(C)(C)OC(=O)Oc1cccc2cccnc12,CC(C)(C)OC(=O)Oc1cccc2cccnc12,"InChI=1/C14H15NO3/c1-14(2,3)18-13(16)17-11-8-4-6-10-7-5-9-15-12(10)11/h4-9H,1-3H3",C14H15NO3,,,,,,PAAWXPHOQOQYNE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.564,242-437-1,18598-74-8,Methyl L-isoleucinate hydrochloride,methyl L-isoleucinate hydrochloride,Cl.CCC(C)[C@H](N)C(=O)OC,Cl.CCC(C)[C@H](N)C(=O)OC,"InChI=1/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H",C7H15NO2.ClH,,,,,,GGTBEWGOPAFTTH-PQAGPIFVSA-N,,,,,,,,,,,
100.061.783,267-981-7,67969-79-3,"Disodium 3-[(2,4-diaminophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 3-[(2,4-diaminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Nc3ccc(N=Nc1cc2c(cc1S([O-])(=O)=O)cc(cc2O)S([O-])(=O)=O)c(N)c3,[Na+].[Na+].Nc3ccc(N=Nc1cc2c(cc1S([O-])(=O)=O)cc(cc2O)S([O-])(=O)=O)c(N)c3,"InChI=1/C16H14N4O7S2.2Na/c17-9-1-2-13(12(18)5-9)19-20-14-7-11-8(4-16(14)29(25,26)27)3-10(6-15(11)21)28(22,23)24;;/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C16H14N4O7S2.2Na,,,,,,PUJGGDQPFNWFFB-UHFFFAOYSA-L,,,,,,,,,,,
100.055.810,261-411-0,58725-55-6,Sodium N-stearoyl-L-serinate,sodium 3-hydroxy-2-(stearoylamino)propanoate,[Na+].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-],"InChI=1/C21H41NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26;/h19,23H,2-18H2,1H3,(H,22,24)(H,25,26);/q;+1/p-1",C21H41NO4.Na,,,,,,AJDJGUAWEVOKSZ-FYZYNONXSA-M,,,,,,,,,,,
100.055.817,261-418-9,58748-01-9,(9S)-9-hydroxy-6'-methoxycinchonanium nitrate,6'-methoxycinchonan-1-ium-9-ol nitrate,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-][N+](=O)[O-],COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-][N+](=O)[O-],"InChI=1/C20H24N2O2.NO3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1(3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;/q;-1/p+1",C20H24N2O2.HNO3,,,,,,LZGSASGONPPEFY-VJAUXQICSA-O,,,,,,,,,,,
100.055.818,261-419-4,58751-56-7,5-hexenyltrimethoxysilane,hex-5-en-1-yl(trimethoxy)silane,CO[Si](CCCCC=C)(OC)OC,CO[Si](CCCCC=C)(OC)OC,"InChI=1/C9H20O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5H,1,6-9H2,2-4H3",C9H20O3Si,,,,,,CGQIJXYITMTOBI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.819,261-421-5,58752-60-6,"(5a,6a)-4,5-epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate","6-hydroxy-17-methyl-4,5-epoxymorphinan-3-yl acetate",CN1CC[C@@]23[C@H]4CC[C@H](O)[C@@H]2Oc5c(OC(=O)C)ccc(C[C@@H]14)c35,CN1CC[C@@]23[C@H]4CC[C@H](O)[C@@H]2Oc5c(OC(=O)C)ccc(C[C@@H]14)c35,"InChI=1/C19H23NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3,6,12-14,18,22H,4-5,7-9H2,1-2H3",C19H23NO4,,,,,,KEJODKYTBSFQKS-LEPYJNQMSA-N,,,,,,,,,,,
100.055.832,261-435-1,58772-22-8,"2,3-bis[(3,5,5-trimethylhexyl)oxy]quinoxaline","2,3-bis[(3,5,5-trimethylhexyl)oxy]quinoxaline",CC(CCOc1nc2ccccc2nc1OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOc1nc2ccccc2nc1OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C26H42N2O2/c1-19(17-25(3,4)5)13-15-29-23-24(28-22-12-10-9-11-21(22)27-23)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3",C26H42N2O2,,,,,,ODACTJFERGTLMN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.837,261-440-9,58779-73-0,"Disodium 2,2'-iminobis(ethanesulphonate)","disodium 2,2'-iminodiethanesulfonate",[Na+].[Na+].[O-]S(=O)(=O)CCNCCS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)CCNCCS(=O)(=O)[O-],"InChI=1/C4H11NO6S2.2Na/c6-12(7,8)3-1-5-2-4-13(9,10)11;;/h5H,1-4H2,(H,6,7,8)(H,9,10,11);;/q;2*+1/p-2",C4H11NO6S2.2Na,,,,,,DGRPFIPXTOTJTG-UHFFFAOYSA-L,,,,,,,,,,,
100.055.312,260-863-6,57632-69-6,"(±)-1-benzoyl-N,N-dihexyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-dihexyl-5-oxoprolinamide",CCCCCCN(CCCCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CCCCCCN(CCCCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C24H36N2O3/c1-3-5-7-12-18-25(19-13-8-6-4-2)24(29)21-16-17-22(27)26(21)23(28)20-14-10-9-11-15-20/h9-11,14-15,21H,3-8,12-13,16-19H2,1-2H3",C24H36N2O3,,,,,,PYZKOIZVQCSZBO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.313,260-864-1,57632-70-9,"(±)-1-benzoyl-5-oxo-N,N-dipentylpyrrolidine-2-carboxamide","1-benzoyl-5-oxo-N,N-dipentylprolinamide",CCCCCN(CCCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CCCCCN(CCCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C22H32N2O3/c1-3-5-10-16-23(17-11-6-4-2)22(27)19-14-15-20(25)24(19)21(26)18-12-8-7-9-13-18/h7-9,12-13,19H,3-6,10-11,14-17H2,1-2H3",C22H32N2O3,,,,,,AQWNKMIOQXJKGV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.315,260-866-2,57632-72-1,"(±)-1-benzoyl-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-dimethyl-5-oxoprolinamide",CN(C)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CN(C)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C14H16N2O3/c1-15(2)14(19)11-8-9-12(17)16(11)13(18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3",C14H16N2O3,,,,,,SRLILHXVMQVLKF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.320,260-872-5,57644-54-9,"Bismuth(3+) tripotassium bis[2-hydroxypropane-1,2,3-tricarboxylate]","bismuth(3+) tripotassium bis[2-hydroxypropane-1,2,3-tricarboxylate]",[K+].[K+].[K+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[K+].[K+].[K+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.Bi.3K.3H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;/q;;+3;3*+1;;;/p-6/r2C6H8O7.BiH3.3K/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;;;/q;;+3;3*+1/p-6",C6H8O7.1/2Bi.3/2K,,,,,,MTFUXYXMQDBYHE-UHFFFAOYSA-H,,,,,,,,,,,
100.055.325,260-877-2,57647-35-5,"N,N,N'-trimethyl-N'-(3-phenyl-1H-indol-1-yl)ethylenediamine monohydrochloride","N,N,N'-trimethyl-N'-(3-phenyl-1H-indol-1-yl)ethane-1,2-diamine hydrochloride",Cl.CN(C)CCN(C)n1cc(c2ccccc2)c3ccccc13,Cl.CN(C)CCN(C)n1cc(c2ccccc2)c3ccccc13,"InChI=1/C19H23N3.ClH/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22;/h4-12,15H,13-14H2,1-3H3;1H",C19H23N3.ClH,,,,,,LWSDQRSJVPCQRC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.333,260-886-1,57663-68-0,4-tert-butylcyclohexyl phenylacetate,4-tert-butylcyclohexyl phenylacetate,CC(C)(C)C1CCC(CC1)OC(=O)Cc2ccccc2,CC(C)(C)C1CCC(CC1)OC(=O)Cc2ccccc2,"InChI=1/C18H26O2/c1-18(2,3)15-9-11-16(12-10-15)20-17(19)13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3",C18H26O2,,,,,,BIJPZGIOMHKTGP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.598,236-974-0,13567-44-7,"[3R-(3a,3aß,5ß,6ß,7ß,8aa)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-ol",cedran-9-ol,CC1C(O)CC23CC1C(C)(C)C2CCC3C,CC1C(O)CC23CC1C(C)(C)C2CCC3C,"InChI=1/C15H26O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-13,16H,5-8H2,1-4H3",C15H26O,,,,,,AEJKOZRRMKOBQS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.599,236-975-6,13568-32-6,Manganese(2+) silicate,dimanganese(2+) orthosilicate,[Mn+2].[Mn+2].[O-][Si]([O-])([O-])[O-],[Mn+2].[Mn+2].[O-][Si]([O-])([O-])[O-],"InChI=1/2Mn.O4Si/c;;1-5(2,3)4/q2*+2;-4",H4O4Si.2Mn,,,,,,YVZPYQMMCMHIRL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.600,236-976-1,13568-33-7,Lithium nitrite,lithium nitrite,[Li+].[O-]N=O,[Li+].[O-]N=O,"InChI=1/Li.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",HNO2.Li,,,,,,IDNHOWMYUQKKTI-UHFFFAOYSA-M,,,,,,,,,,,
100.033.608,236-985-0,13569-59-0,Niobium trichloride,-,[Cl-].[Cl-].[Cl-].[Nb+2],[Cl-].[Cl-].[Cl-].[Nb+2],InChI=1/3ClH.Nb/h3*1H;/q;;;+2/p-3,Cl3Nb,,,,,,IVCGYVFAJUEEBZ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.612,236-989-2,13569-71-6,Rhenium tetrachloride,rhenium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Re+2].[Re+2],[Cl-].[Cl-].[Cl-].[Cl-].[Re+2].[Re+2],InChI=1/4ClH.2Re/h4*1H;;/q;;;;2*+2/p-4,Cl4Re,,,,,,GGDAGGXFQWKHBR-UHFFFAOYSA-J,,,,,,,,,,,
100.033.613,236-990-8,13569-72-7,Tantalum tetrachloride,tantalum tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Ta+2].[Ta+2],[Cl-].[Cl-].[Cl-].[Cl-].[Ta+2].[Ta+2],InChI=1/4ClH.2Ta/h4*1H;;/q;;;;2*+2/p-4,Cl4Ta,,,,,,LMFIRSGQFVZSFN-UHFFFAOYSA-J,,,,,,,,,,,
100.033.615,236-992-9,13569-80-7,Dysprosium trifluoride,dysprosium trifluoride,[F-].[F-].[F-].[Dy+3],[F-].[F-].[F-].[Dy+3],InChI=1/Dy.3FH/h;3*1H/q+3;;;/p-3,DyF3,,,,,,FWQVINSGEXZQHB-UHFFFAOYSA-K,,,,,,,,,,,
100.035.125,238-654-6,14617-92-6,p-tolyl butyrate,4-methylphenyl butyrate,CCCC(=O)Oc1ccc(C)cc1,CCCC(=O)Oc1ccc(C)cc1,"InChI=1/C11H14O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3",C11H14O2,,,,,,RRXBRABFDRJAPX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.128,238-657-2,14618-65-6,"2,2'-thiobisacetamide","2,2'-sulfanediyldiacetamide",NC(=O)CSCC(=O)N,NC(=O)CSCC(=O)N,"InChI=1/C4H8N2O2S/c5-3(7)1-9-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)",C4H8N2O2S,,,,,,KQNFZEVUCSXNTH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.132,238-661-4,14621-11-5,"2,2,4,4,6,6,8,8-octabromo-2,2,4,4,6,6,8,8-octahydro-1,3,5,7,2,4,6,8-tetraazatetraphosphocine","2,2,4,4,6,6,8,8-octabromo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocane",BrP1(Br)NP(Br)(Br)NP(Br)(Br)NP(Br)(Br)N1,BrP1(Br)NP(Br)(Br)NP(Br)(Br)NP(Br)(Br)N1,"InChI=1/Br8H8N4P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h9-16H",Br8N4P4,,,,,,OTJLSEGQTQSXBX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.140,238-670-3,14628-90-1,"2-methoxy-5-nitro-2,4,6-cycloheptatrien-1-one","2-methoxy-5-nitrocyclohepta-2,4,6-trien-1-one",COC1=CC=C(C=CC1=O)[N+](=O)[O-],COC1=CC=C(C=CC1=O)[N+](=O)[O-],"InChI=1/C8H7NO4/c1-13-8-5-3-6(9(11)12)2-4-7(8)10/h2-5H,1H3",C8H7NO4,,,,,,SRVBIVSFLVFSAB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.143,238-674-5,14631-68-6,"1,3-dipiperidinourea","1,3-dipiperidin-1-ylurea",O=C(NN1CCCCC1)NN2CCCCC2,O=C(NN1CCCCC1)NN2CCCCC2,"InChI=1/C11H22N4O/c16-11(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10H2,(H2,12,13,16)",C11H22N4O,,,,,,MTQTYGHVBJMNPG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.782,247-076-3,25525-75-1,"2-methoxyethyl (9Z,12Z)-octadeca-9,12-dienoate","2-methoxyethyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCCOC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCOC,"InChI=1/C21H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h7-8,10-11H,3-6,9,12-20H2,1-2H3",C21H38O3,,,,,,AGMHUAMNZCJLBA-NQLNTKRDSA-N,,,,,,,,,,,
100.042.784,247-078-4,25530-63-6,Ammonium bismuth citrate,-,[NH4+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Bi.H3N.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3;;;/q;+3;;;;/p-2/rC6H8O7.BiH3.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3/q;+3;/p-2",C6H8O7.Bi.H3N,,,,,,ADBUZPCDOKGNTG-UHFFFAOYSA-L,,,,,,,,,,,
100.042.789,247-084-7,25538-43-6,Iodonitromethane,iodo(nitro)methane,[O-][N+](=O)CI,[O-][N+](=O)CI,InChI=1/CH2INO2/c2-1-3(4)5/h1H2,CH2INO2,,,,,,NGPZXMWROSHCLA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.795,247-091-5,25546-65-0,Ribostamycin,"4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",C17H34N4O10,,,,,,NSKGQURZWSPSBC-SSXIAAKRSA-N,,,,,,,,,,,
100.042.797,247-093-6,25550-14-5,Ethyltoluene,1-ethyl-2-methylbenzene,Cc1ccccc1CC,Cc1ccccc1CC,"InChI=1/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",C9H12,,,,,,HYFLWBNQFMXCPA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.798,247-094-1,25550-51-0,Hexahydromethylphthalic anhydride,"5-methylhexahydro-2-benzofuran-1,3-dione",CC1CCC2C(C1)C(=O)OC2=O,CC1CCC2C(C1)C(=O)OC2=O,"InChI=1/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3",C9H12O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16115,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.798,FKBMTBAXDISZGN-UHFFFAOYSA-N,,,,,,,,,,,
100.032.889,236-194-0,13222-32-7,N-methyl-N-(1-oxooctadecyl)-ß-alanine,N-methyl-N-stearoyl-beta-alanine,CCCCCCCCCCCCCCCCCC(=O)N(C)CCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)N(C)CCC(=O)O,"InChI=1/C22H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23(2)20-19-22(25)26/h3-20H2,1-2H3,(H,25,26)",C22H43NO3,,,,,,GMHCJCQMNYOULB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.890,236-195-6,13223-03-5,Ethyldimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium ethyl sulphate,"N-ethyl-2-(methacryloyloxy)-N,N-dimethylethanaminium ethyl sulfate",CCOS(=O)(=O)[O-].CC[N+](C)(C)CCOC(=O)C(=C)C,CCOS(=O)(=O)[O-].CC[N+](C)(C)CCOC(=O)C(=C)C,"InChI=1/C10H20NO2.C2H6O4S/c1-6-11(4,5)7-8-13-10(12)9(2)3;1-2-6-7(3,4)5/h2,6-8H2,1,3-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C10H20NO2.C2H5O4S,,,,,,QUUVXPUXYIWGHA-UHFFFAOYSA-M,,,,,,,,,,,
100.032.891,236-196-1,13224-08-3,"Nitric acid, manganese salt",-,[Mn].[O-][N+](O)=O,[Mn].[O-][N+](O)=O,"InChI=1/Mn.HNO3/c;2-1(3)4/h;(H,2,3,4)/q+2;",HNO3.xMn,,,,,,BYOBIQOEWYNTMM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.895,236-200-1,13230-03-0,2-ethyl-4-nitro-1H-imidazole,2-ethyl-4-nitro-1H-imidazole,CCc1nc(c[nH]1)[N+](=O)[O-],CCc1nc(c[nH]1)[N+](=O)[O-],"InChI=1/C5H7N3O2/c1-2-4-6-3-5(7-4)8(9)10/h3H,2H2,1H3,(H,6,7)",C5H7N3O2,,,,,,MXNAZXOOFZKJEV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.900,236-205-9,13234-23-6,Lithium methacrylate,lithium methacrylate,[Li+].CC(=C)C(=O)[O-],[Li+].CC(=C)C(=O)[O-],"InChI=1/C4H6O2.Li/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",C4H6O2.Li,,,,,,RLQOUIUVEQXDPW-UHFFFAOYSA-M,,,,,,,,,,,
100.032.904,236-210-6,13236-00-5,"3-(oxiranylmethoxy)-2,2-bis[(oxiranylmethoxy)methyl]propanol","3-(oxiran-2-ylmethoxy)-2,2-bis[(oxiran-2-ylmethoxy)methyl]propan-1-ol",OCC(COCC1CO1)(COCC2CO2)COCC3CO3,OCC(COCC1CO1)(COCC2CO2)COCC3CO3,"InChI=1/C14H24O7/c15-7-14(8-16-1-11-4-19-11,9-17-2-12-5-20-12)10-18-3-13-6-21-13/h11-13,15H,1-10H2",C14H24O7,,,,,,VTPXYFSCMLIIFK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.906,236-212-7,13237-73-5,"5-hydroxy-2,4,6-tris(isopropyl)-1,3,2-dioxaphosphorinane 5-oxide","2,4,6-triisopropyl-1,3,5-dioxaphosphinan-5-ol 5-oxide",CC(C)C1OC(C(C)C)P(=O)(O)C(O1)C(C)C,CC(C)C1OC(C(C)C)P(=O)(O)C(O1)C(C)C,"InChI=1/C12H25O4P/c1-7(2)10-15-11(8(3)4)17(13,14)12(16-10)9(5)6/h7-12H,1-6H3,(H,13,14)",C12H25O4P,,,,,,UMLZKTBXNZNRFA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.910,236-216-9,13241-33-3,"(S)-7-[[2-O-6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one","5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside",COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)cc3O2,COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)cc3O2,"InChI=1/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3",C28H34O15,,,,,,ARGKVCXINMKCAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.912,236-219-5,13242-16-5,"5-[(3-ethylnaphth[2,1-d]oxazol-2(3H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one","5-[2-(3-ethylnaphtho[2,1-d][1,3]oxazol-2(3H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one",O=C5N(CCCCCCC)C(=S)N(c1ccccc1)C5=CC=C3Oc2c4ccccc4ccc2N3CC,O=C5N(CCCCCCC)C(=S)N(c1ccccc1)C5=CC=C3Oc2c4ccccc4ccc2N3CC,"InChI=1/C31H33N3O2S/c1-3-5-6-7-13-22-33-30(35)27(34(31(33)37)24-15-9-8-10-16-24)20-21-28-32(4-2)26-19-18-23-14-11-12-17-25(23)29(26)36-28/h8-12,14-21H,3-7,13,22H2,1-2H3",C31H33N3O2S,,,,,,OZCLZZYQFDQMOF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.916,236-223-7,13243-65-7,"2,3-dibromo-1,4-naphthoquinone","2,3-dibromo-1,4-naphthoquinone",BrC1=C(Br)C(=O)c2ccccc2C1=O,BrC1=C(Br)C(=O)c2ccccc2C1=O,InChI=1/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,C10H4Br2O2,,,,,,PSMABVOYZJWFBV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.917,236-224-2,13244-33-2,2-amino-5-methoxybenzenesulphonic acid,2-amino-5-methoxybenzenesulfonic acid,COc1ccc(N)c(c1)S(=O)(=O)O,COc1ccc(N)c(c1)S(=O)(=O)O,"InChI=1/C7H9NO4S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",C7H9NO4S,,,,,,KZKGEEGADAWJFS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.919,236-226-3,13246-02-1,Febarbamate,"2-butoxy-1-[(5-ethyl-2,4,6-trioxo-5-phenyltetrahydropyrimidin-1(2H)-yl)methyl]ethyl carbamate",CCCCOCC(CN1C(=O)NC(=O)C(CC)(C1=O)c2ccccc2)OC(=O)N,CCCCOCC(CN1C(=O)NC(=O)C(CC)(C1=O)c2ccccc2)OC(=O)N,"InChI=1/C20H27N3O6/c1-3-5-11-28-13-15(29-18(21)26)12-23-17(25)20(4-2,16(24)22-19(23)27)14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,21,26)(H,22,24,27)",C20H27N3O6,,,,,,QHZQILHUJDRDAI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.928,236-236-8,13252-13-6,"2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionic acid","2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid",OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)",C6HF11O3,,,,,,CSEBNABAWMZWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.573,242-447-6,18613-55-3,"N,N-dibenzyl-p-anisidine","N,N-dibenzyl-4-methoxyaniline",COc1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3,COc1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3,"InChI=1/C21H21NO/c1-23-21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3",C21H21NO,,,,,,CFNHDBSFANUKKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.576,242-450-2,18622-13-4,1-amino-4-hydroxy-2-(4-hydroxyphenoxy)anthraquinone,"1-amino-4-hydroxy-2-(4-hydroxyphenoxy)-9,10-anthraquinone",Nc1c(Oc2ccc(O)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Oc2ccc(O)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO5/c21-18-15(26-11-7-5-10(22)6-8-11)9-14(23)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2",C20H13NO5,,,,,,JBUBYUZDOUATKW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.578,242-452-3,18622-28-1,Zinc bis(cyanocyanamidate),zinc bis(dicyanoazanide),N#CN([Zn]N(C#N)C#N)C#N,N#CN([Zn]N(C#N)C#N)C#N,InChI=1/2C2N3.Zn/c2*3-1-5-2-4;/q2*-1;+2/rC4N6Zn/c5-1-9(2-6)11-10(3-7)4-8,C2HN3.1/2Zn,,,,,,TZBWMAFVBMWFBV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.579,242-453-9,18623-11-5,Octadecylsilane,octadecylsilane,CCCCCCCCCCCCCCCCCC[SiH3],CCCCCCCCCCCCCCCCCC[SiH3],"InChI=1/C18H40Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1,19H3",C18H40Si,,,,,,YTJSFYQNRXLOIC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.581,242-456-5,18624-44-7,Iron dihydroxide,iron(2+) dihydroxide,O[Fe]O,O[Fe]O,InChI=1/Fe.2H2O/h;2*1H2/q+2;;/p-2/rFeH2O2/c2-1-3/h2-3H,FeH2O2,,,,,,NCNCGGDMXMBVIA-UHFFFAOYSA-L,,,,,,,,,,,
100.038.584,242-459-1,18626-98-7,o-(1-methylheptyl)phenol,2-(1-methylheptyl)phenol,CCCCCCC(C)c1ccccc1O,CCCCCCC(C)c1ccccc1O,"InChI=1/C14H22O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3",C14H22O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5433,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.584,YENLEHMSMBFUTB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.586,242-461-2,18635-00-2,"N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-valine, compound with cyclohexylamine (1:1)",N-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]valine - cyclohexanamine (1:1),CC(C)[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O.NC3CCCCC3,CC(C)[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O.NC3CCCCC3,"InChI=1/C21H25NO4.C6H13N/c1-14(2)18(19(23)24)22-20(25)26-21(3,4)17-12-10-16(11-13-17)15-8-6-5-7-9-15;7-6-4-2-1-3-5-6/h5-14,18H,1-4H3,(H,22,25)(H,23,24);6H,1-5,7H2",C21H25NO4.C6H13N,,,,,,QKSNECXABWULCS-FERBBOLQSA-N,,,,,,,,,,,
100.038.587,242-462-8,18635-01-3,"N2-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-N6-(tert-butoxycarbonyl)-L-lysine, compound with dicyclohexylamine (1:1)",N~2~-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]-N~6~-(tert-butoxycarbonyl)-L-lysine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O.C3CCC(CC3)NC4CCCCC4,CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O.C3CCC(CC3)NC4CCCCC4,"InChI=1/C27H36N2O6.C12H23N/c1-26(2,3)34-24(32)28-18-10-9-13-22(23(30)31)29-25(33)35-27(4,5)21-16-14-20(15-17-21)19-11-7-6-8-12-19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-8,11-12,14-17,22H,9-10,13,18H2,1-5H3,(H,28,32)(H,29,33)(H,30,31);11-13H,1-10H2",C27H36N2O6.C12H23N,,,,,,FODCTJLJXCYSMY-FTBISJDPSA-N,,,,,,,,,,,
100.038.588,242-463-3,18635-03-5,"N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-3-phenyl-L-alanine, compound with dicyclohexylamine (1:1)",N-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]-L-phenylalanine - N-cyclohexylcyclohexanamine (1:1),CC(C)(OC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2ccc(cc2)c3ccccc3.C4CCC(CC4)NC5CCCCC5,CC(C)(OC(=O)N[C@@H](Cc1ccccc1)C(=O)O)c2ccc(cc2)c3ccccc3.C4CCC(CC4)NC5CCCCC5,"InChI=1/C25H25NO4.C12H23N/c1-25(2,21-15-13-20(14-16-21)19-11-7-4-8-12-19)30-24(29)26-22(23(27)28)17-18-9-5-3-6-10-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-16,22H,17H2,1-2H3,(H,26,29)(H,27,28);11-13H,1-10H2",C25H25NO4.C12H23N,,,,,,BYGHBDSVSZKNFZ-FTBISJDPSA-N,,,,,,,,,,,
100.038.592,242-468-0,18638-99-8,"3,4,5-trimethoxybenzylamine","1-(3,4,5-trimethoxyphenyl)methanamine",COc1cc(CN)cc(OC)c1OC,COc1cc(CN)cc(OC)c1OC,"InChI=1/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3",C10H15NO3,,,,,,YUPUSBMJCFBHAP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.815,237-213-5,13692-99-4,Diterbium trisulphate,diterbium trisulphate,[Tb+3].[Tb+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Tb+3].[Tb+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Tb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",H2O4S.2/3Tb,,,,,,UFPWIQQSPQSOKM-UHFFFAOYSA-H,,,,,,,,,,,
100.033.816,237-214-0,13693-05-5,Platinum hexafluoride,platinum hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[Pt+2].[Pt+2].[Pt+2],[F-].[F-].[F-].[F-].[F-].[F-].[Pt+2].[Pt+2].[Pt+2],InChI=1/6FH.3Pt/h6*1H;;;/q;;;;;;3*+2/p-6,F6Pt,,,,,,VKRCSTCUUPBVPK-UHFFFAOYSA-H,,,,,,,,,,,
100.033.829,237-228-7,13701-72-9,Yttrium(3+) orthosilicate(3:4),yttrium(3+) orthosilicate(3:4),[Y+3].[Y+3].[Y+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-],[Y+3].[Y+3].[Y+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-],"InChI=1/4O4Si.3Y/c4*1-5(2,3)4;;;/q4*-4;3*+3",H4O4Si.4/3Y,,,,,,YKOJAMHZRQOCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.840,237-240-2,13705-37-8,"3,3-dimethyl-4-phenylbutan-2-one","3,3-dimethyl-4-phenylbutan-2-one",CC(=O)C(C)(C)Cc1ccccc1,CC(=O)C(C)(C)Cc1ccccc1,"InChI=1/C12H16O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",C12H16O,,,,,,UBNAVIPKORDBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.334,260-887-7,57664-96-7,"(5a)-4,5-epoxy-14-hydroxy-3-methoxymorphinan-6-one","14-hydroxy-3-methoxy-4,5-epoxymorphinan-6-one",COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3",C17H19NO4,,,,,,RIKMCJUNPCRFMW-ISWURRPUSA-N,,,,,,,,,,,
100.055.336,260-889-8,57665-09-5,"Disodium thiophene-2,5-dicarboxylate","disodium thiophene-2,5-dicarboxylate",[Na+].[Na+].[O-]C(=O)c1ccc(s1)C(=O)[O-],[Na+].[Na+].[O-]C(=O)c1ccc(s1)C(=O)[O-],"InChI=1/C6H4O4S.2Na/c7-5(8)3-1-2-4(11-3)6(9)10;;/h1-2H,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H4O4S.2Na,,,,,,KZUVFAJPKALZQF-UHFFFAOYSA-L,,,,,,,,,,,
100.055.337,260-890-3,57668-61-8,"1,1'-(4-bromobutylidene)bis[4-fluorobenzene]","1,1'-(4-bromobutane-1,1-diyl)bis(4-fluorobenzene)",Fc1ccc(cc1)C(CCCBr)c2ccc(F)cc2,Fc1ccc(cc1)C(CCCBr)c2ccc(F)cc2,"InChI=1/C16H15BrF2/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,1-2,11H2",C16H15BrF2,,,,,,AJHQYQYRIDMWON-UHFFFAOYSA-N,,,,,,,,,,,
100.055.340,260-894-5,57674-20-1,2-chloro-3-(1-methylethyl)pyrazine,2-chloro-3-isopropylpyrazine,CC(C)c1nccnc1Cl,CC(C)c1nccnc1Cl,"InChI=1/C7H9ClN2/c1-5(2)6-7(8)10-4-3-9-6/h3-5H,1-2H3",C7H9ClN2,,,,,,BMSLPKADYHPKFF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.342,260-896-6,57677-97-1,"Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate - 2,2'-iminodiethanol (1:1)",OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H9F34O4P.C4H11NO2/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54;6-3-1-5-2-4-7/h1-4H2,(H,55,56);5-7H,1-4H2",C20H9F34O4P.C4H11NO2,,,,,,YGJRUVMNNWUSMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.344,260-898-7,57677-99-3,"Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl) hydrogen phosphate","bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl) hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C28H9F50O4P/c29-5(30,7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)21(61,62)23(65,66)25(69,70)27(73,74)75)1-3-81-83(79,80)82-4-2-6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(59,60)22(63,64)24(67,68)26(71,72)28(76,77)78/h1-4H2,(H,79,80)",C28H9F50O4P,,,,,,BRIQAVTVXOWEGR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.350,260-904-8,57683-72-4,Disuccinimido sulphonylbis(ethylenecarbonate),"1,1'-[sulfonylbis(ethane-2,1-diyloxycarbonyloxy)]dipyrrolidine-2,5-dione",O=C(OCCS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O)ON2C(=O)CCC2=O,O=C(OCCS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O)ON2C(=O)CCC2=O,"InChI=1/C14H16N2O12S/c17-9-1-2-10(18)15(9)27-13(21)25-5-7-29(23,24)8-6-26-14(22)28-16-11(19)3-4-12(16)20/h1-8H2",C14H16N2O12S,,,,,,XUDGDVPXDYGCTG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.352,260-906-9,57693-14-8,Trisodium bis[3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-7-nitronaphthalene-1-sulphonato(3-)]chromate(3-),-,[Na+].[Na+].[Na+].OS(=O)(=O)c1cc2O[CrH5-3]3(Oc4ccc5CC=CCc5c4N=Nc6c(O3)cc(c7C(C=CCc67)[N+](=O)[O-])S(=O)(=O)O)Oc8ccc9CC=CCc9c8N=Nc2c%10CC=CC(c1%10)[N+](=O)[O-],[Na+].[Na+].[Na+].OS(=O)(=O)c1cc2O[CrH5-3]3(Oc4ccc5CC=CCc5c4N=Nc6c(O3)cc(c7C(C=CCc67)[N+](=O)[O-])S(=O)(=O)O)Oc8ccc9CC=CCc9c8N=Nc2c%10CC=CC(c1%10)[N+](=O)[O-],"InChI=1/2C20H17N3O7S.Cr.3Na.5H/c2*24-15-9-8-11-4-1-2-5-12(11)19(15)21-22-20-13-6-3-7-14(23(26)27)18(13)17(10-16(20)25)31(28,29)30;;;;;;;;;/h2*1-3,7-10,14,24-25H,4-6H2,(H,28,29,30);;;;;;;;;/q;;+6;3*+1;;;;;/p-4/rC40H35CrN6O14S2.3Na/c48-46(49)27-13-5-11-25-35(27)33(62(52,53)54)19-31-39(25)44-42-37-23-9-3-1-7-21(23)15-17-29(37)58-41(60-31)59-30-18-16-22-8-2-4-10-24(22)38(30)43-45-40-26-12-6-14-28(47(50)51)36(26)34(63(55,56)57)20-32(40)61-41;;;/h1-6,13-20,27-28H,7-12H2,41H5,(H,52,53,54)(H,55,56,57);;;/q+2;3*+1",C40H20CrN6O14S2.3Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15023,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.352,YDSUNBKGLLQZGX-UHFFFAOYSA-J,,,,,,,,,,,
100.057.209,262-949-9,61745-58-2,Zinc(2+) N6-(1-oxooctadecyl)-L-lysinate,zinc bis[2-amino-6-(stearoylamino)hexanoate],[Zn+2].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],"InChI=1/2C24H48N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29;/h2*22H,2-21,25H2,1H3,(H,26,27)(H,28,29);/q;;+2/p-2",C24H48N2O3.1/2Zn,,,,,,KUUAJIHZQLIVCZ-VRCDMBAWSA-L,,,,,,,,,,,
100.057.214,262-955-1,61747-35-1,"2,2'-dithiobis(4-tert-butyl-1-isopropyl-1H-imidazole)","2,2'-disulfanediylbis(4-tert-butyl-1-isopropyl-1H-imidazole)",CC(C)n1cc(nc1SSc2nc(cn2C(C)C)C(C)(C)C)C(C)(C)C,CC(C)n1cc(nc1SSc2nc(cn2C(C)C)C(C)(C)C)C(C)(C)C,"InChI=1/C20H34N4S2/c1-13(2)23-11-15(19(5,6)7)21-17(23)25-26-18-22-16(20(8,9)10)12-24(18)14(3)4/h11-14H,1-10H3",C20H34N4S2,,,,,,UACGDGTZNFKYQI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.219,262-960-9,61761-57-7,"1,2,3,4-tetrahydro-1-methyl-4-pentylnaphthalene","1-methyl-4-pentyl-1,2,3,4-tetrahydronaphthalene",CCCCCC1CCC(C)c2ccccc12,CCCCCC1CCC(C)c2ccccc12,"InChI=1/C16H24/c1-3-4-5-8-14-12-11-13(2)15-9-6-7-10-16(14)15/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3",C16H24,,,,,,FFEWGVFAPOXQDW-UHFFFAOYSA-N,,,,,,,,,,,
100.042.799,247-095-7,25550-52-1,"Xylenethiol, mixed isomers","3,5-dimethylbenzenethiol",Cc1cc(C)cc(S)c1,Cc1cc(C)cc(S)c1,"InChI=1/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3",C8H10S,,,,,,CESBAYSBPMVAEI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.801,247-097-8,25550-79-2,Bis(nonylphenyl) adipate,bis(2-nonylphenyl) adipate,CCCCCCCCCc1ccccc1OC(=O)CCCCC(=O)Oc2ccccc2CCCCCCCCC,CCCCCCCCCc1ccccc1OC(=O)CCCCC(=O)Oc2ccccc2CCCCCCCCC,"InChI=1/C36H54O4/c1-3-5-7-9-11-13-15-23-31-25-17-19-27-33(31)39-35(37)29-21-22-30-36(38)40-34-28-20-18-26-32(34)24-16-14-12-10-8-6-4-2/h17-20,25-28H,3-16,21-24,29-30H2,1-2H3",C36H54O4,,,,,,NECICMYQQDSCJO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.803,247-099-9,25551-13-7,Trimethylbenzene,"1,2,3-trimethylbenzene",Cc1cccc(C)c1C,Cc1cccc(C)c1C,"InChI=1/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3",C9H12,,,,,,FYGHSUNMUKGBRK-UHFFFAOYSA-N,,,,,,,,,,,
100.042.805,247-101-8,25551-35-3,Naphthalene-1-carbonitrile,1-naphthonitrile,N#Cc1cccc2ccccc12,N#Cc1cccc2ccccc12,InChI=1/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,C11H7N,,,,,,YJMNOKOLADGBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.806,247-102-3,25560-00-3,3-(2-methyl-1-piperidyl)propylamine,3-(2-methylpiperidin-1-yl)propan-1-amine,CC1CCCCN1CCCN,CC1CCCCN1CCCN,"InChI=1/C9H20N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-8,10H2,1H3",C9H20N2,,,,,,YYAYTNPNFKPFNG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.808,247-104-4,25564-22-1,2-pentylcyclopent-2-en-1-one,2-pentylcyclopent-2-en-1-one,CCCCCC1=CCCC1=O,CCCCCC1=CCCC1=O,"InChI=1/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16501,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.808,ILHZVKAXFCDFMT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.813,247-110-7,25567-68-4,Chloronitrotoluene,2-chloro-1-methyl-3-nitrobenzene,Cc1cccc(c1Cl)[N+](=O)[O-],Cc1cccc(c1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3",C7H6ClNO2,,,,,,XTSGZXRUCAWXKY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.815,247-112-8,25574-69-0,"Tetrahydrodifuro[3,4-b:3',4'-d]furantetrone","tetrahydrodifuro[3,4-b:3',4'-d]furan-1,3,5,7-tetrone",O=C1OC(=O)C2C1OC3C2C(=O)OC3=O,O=C1OC(=O)C2C1OC3C2C(=O)OC3=O,InChI=1/C8H4O7/c9-5-1-2-4(8(12)15-6(2)10)13-3(1)7(11)14-5/h1-4H,C8H4O7,,,,,,JASHGAIOBWYPBI-UHFFFAOYSA-N,,,,,,,,,,,
100.042.816,247-113-3,25575-88-6,Methyl N-(5-oxo-L-prolyl)-L-histidinate,methyl 5-oxo-L-prolyl-D-histidinate,COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]2CCC(=O)N2,COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C12H16N4O4/c1-20-12(19)9(4-7-5-13-6-14-7)16-11(18)8-2-3-10(17)15-8/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,15,17)(H,16,18)",C12H16N4O4,,,,,,OYBCNAPVAXUGLB-IUCAKERBSA-N,,,,,,,,,,,
100.042.823,247-121-7,25594-47-2,"N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]acetamide","N-{5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]phenyl}acetamide",Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H23BrN6O7/c1-13(28)22-18-11-14(25(6-8-33-2)7-9-34-3)4-5-17(18)23-24-20-16(21)10-15(26(29)30)12-19(20)27(31)32/h4-5,10-12H,6-9H2,1-3H3,(H,22,28)",C20H23BrN6O7,,,,,,AIUORLVAJOVZSU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.826,247-124-3,25605-13-4,Rhenium trifluoride,-,[F-].[F-].[F-].[Re+2],[F-].[F-].[F-].[Re+2],InChI=1/3FH.Re/h3*1H;/q;;;+2/p-3,F3Re,,,,,,OOPLOPPVZRXJDG-UHFFFAOYSA-K,,,,,,,,,,,
100.042.827,247-125-9,25606-41-1,Propyl [3-(dimethylamino)propyl]carbamate monohydrochloride,propyl [3-(dimethylamino)propyl]carbamate hydrochloride,Cl.CCCOC(=O)NCCCN(C)C,Cl.CCCOC(=O)NCCCN(C)C,"InChI=1/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H",C9H20N2O2.ClH,,,,,,MKIMSXGUTQTKJU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.829,247-128-5,25614-03-3,Bromocriptine,"2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman",CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C,"InChI=1/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)",C32H40BrN5O5,,,,,,OZVBMTJYIDMWIL-AYFBDAFISA-N,,,,,,,,,,,
100.032.176,235-406-9,12220-06-3,Sodium 4-[4-[[2-methyl-4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo]anilino]-3-nitrobenzenesulphonate,sodium 4-({4-[(2-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]phenyl}amino)-3-nitrobenzenesulfonate,[Na+].O=S(=O)(Oc1cc(C)c(cc1)N=Nc3ccc(Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)cc3)c4ccc(C)cc4,[Na+].O=S(=O)(Oc1cc(C)c(cc1)N=Nc3ccc(Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)cc3)c4ccc(C)cc4,"InChI=1/C26H22N4O8S2.Na/c1-17-3-10-22(11-4-17)40(36,37)38-21-9-13-24(18(2)15-21)29-28-20-7-5-19(6-8-20)27-25-14-12-23(39(33,34)35)16-26(25)30(31)32;/h3-16,27H,1-2H3,(H,33,34,35);/q;+1/p-1",C26H22N4O8S2.Na,,,,,,RRJQRNUKACWUFD-UHFFFAOYSA-M,,,,,,,,,,,
100.032.929,236-237-3,13252-14-7,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propionic acid","2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoic acid",OC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F,OC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C9HF17O4/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H,27,28)",C9HF17O4,,,,,,OIVQVBDAMYDDEM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.525,239-094-5,15000-59-6,2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulphate,"2-{[4-(dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]S(=O)(=O)OC.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C17H19N4OS.CH4O4S/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;1-5-6(2,3)4/h5-11H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C17H19N4OS.CH3O4S,,,,,,AQSURVRJJSLSOC-UHFFFAOYSA-M,,,,,,,,,,,
100.035.526,239-095-0,15001-27-1,"4-(3,4-dimethoxyphenyl)-3-buten-2-one","4-(3,4-dimethoxyphenyl)but-3-en-2-one",COc1cc(ccc1OC)C=CC(C)=O,COc1cc(ccc1OC)C=CC(C)=O,"InChI=1/C12H14O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h4-8H,1-3H3",C12H14O3,,,,,,XUYBNDHXZMIALN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.534,239-103-2,15018-56-1,5-bromo-6-methyluracil,"5-bromo-6-methylpyrimidine-2,4(1H,3H)-dione",CC1=C(Br)C(=O)NC(=O)N1,CC1=C(Br)C(=O)NC(=O)N1,"InChI=1/C5H5BrN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)",C5H5BrN2O2,,,,,,HEAXNUZNYDEXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.557,239-128-9,15066-64-5,"2-(1-aminoethyl)furan-3,4-diyldimethanol","[2-(1-aminoethyl)furan-3,4-diyl]dimethanol",CC(N)c1occ(CO)c1CO,CC(N)c1occ(CO)c1CO,"InChI=1/C8H13NO3/c1-5(9)8-7(3-11)6(2-10)4-12-8/h4-5,10-11H,2-3,9H2,1H3",C8H13NO3,,,,,,CXOGYHMVENOLIK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.561,239-133-6,15077-57-3,"Bis(8-hydroxyquinolyl) sulphate, monopotassium salt",-,[K+].Oc1cccc2ccc(OS(=O)(=O)Oc3ccc4cccc(O)c4n3)nc12,[K+].Oc1cccc2ccc(OS(=O)(=O)Oc3ccc4cccc(O)c4n3)nc12,"InChI=1/C18H12N2O6S.K/c21-13-5-1-3-11-7-9-15(19-17(11)13)25-27(23,24)26-16-10-8-12-4-2-6-14(22)18(12)20-16;/h1-10,21-22H;/q;+1",C9H7NO.1/2H2O4S.K,,,,,,XEXOLMAUWVAZGX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.559,235-830-4,13000-39-0,"Pentasodium 4-[[4-[(3,6-disulphonato-1-naphthyl)azo]-7-sulphonato-1-naphthyl]azo]-3-hydroxynaphthalene-2,7-disulphonate","pentasodium 4-({4-[(3,6-disulfonato-1-naphthyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)-3-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cc(cc6N=Nc5ccc(N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cc(cc6N=Nc5ccc(N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C30H20N4O16S5.5Na/c35-30-28(55(48,49)50)12-16-10-18(52(39,40)41)2-5-22(16)29(30)34-32-26-8-7-25(23-6-3-19(13-24(23)26)53(42,43)44)31-33-27-14-20(54(45,46)47)11-15-9-17(51(36,37)38)1-4-21(15)27;;;;;/h1-14,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;/q;5*+1/p-5",C30H20N4O16S5.5Na,,,,,,GIIFZDMQWSRMKA-UHFFFAOYSA-I,,,,,,,,,,,
100.032.560,235-832-5,13001-15-5,Nickel(2+) oleate,nickel(2+) dioctadec-9-enoate,[Ni+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Ni+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Ni,,,,,,LVBIMKHYBUACBU-CVBJKYQLSA-L,,,,,,,,,,,
100.032.563,235-835-1,13001-39-3,"2,2'-(p-phenylenediethene-2,1-diyl)bisbenzonitrile","2,2'-(1,4-phenylenediethene-2,1-diyl)dibenzonitrile",N#Cc3ccccc3C=Cc2ccc(C=Cc1ccccc1C#N)cc2,N#Cc3ccccc3C=Cc2ccc(C=Cc1ccccc1C#N)cc2,InChI=1/C24H16N2/c25-17-23-7-3-1-5-21(23)15-13-19-9-11-20(12-10-19)14-16-22-6-2-4-8-24(22)18-26/h1-16H,C24H16N2,,,,,,RBABXJPJIHMBBP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.567,235-839-3,13002-09-0,"1,1'-[ethylidenebis(oxy)]bis(3-methylbutane)","1,1'-[ethane-1,1-diylbis(oxy)]bis(3-methylbutane)",CC(C)CCOC(C)OCCC(C)C,CC(C)CCOC(C)OCCC(C)C,"InChI=1/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3",C12H26O2,,,,,,LXKCTPBHCJDSKC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.571,235-844-0,13005-35-1,Copper D-gluconate,"copper(1+) 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",[Cu].O[C@H]([C@@H](O)C(O)=O)[C@H](O)[C@H](O)CO,[Cu].O[C@H]([C@@H](O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1/C6H12O7.Cu/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1",C6H12O7.xCu,,,,,,YYUNAGBPURXPMT-JJKGCWMISA-N,,,,,,,,,,,
100.032.572,235-845-6,13005-36-2,Potassium phenylacetate,potassium phenylacetate,[K+].[O-]C(=O)Cc1ccccc1,[K+].[O-]C(=O)Cc1ccccc1,"InChI=1/C8H8O2.K/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1",C8H8O2.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1901,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.572,JFOZPCWVLIBFCH-UHFFFAOYSA-M,,,,,,,,,,,
100.032.579,235-852-4,13007-92-6,Hexacarbonylchromium,-,[Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+],[Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+],InChI=1/6CO.Cr/c6*1-2;/q;;;;;;+2,C6CrO6,,,,,,KOTQLLUQLXWWDK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.590,235-865-5,13012-54-9,3-chloropropyl thioacetate,S-(3-chloropropyl) ethanethioate,CC(=O)SCCCCl,CC(=O)SCCCCl,"InChI=1/C5H9ClOS/c1-5(7)8-4-2-3-6/h2-4H2,1H3",C5H9ClOS,,,,,,IOLUCUQNAZTKMN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.908,239-515-2,15486-96-1,3-bromopropionyl chloride,3-bromopropanoyl chloride,ClC(=O)CCBr,ClC(=O)CCBr,InChI=1/C3H4BrClO/c4-2-1-3(5)6/h1-2H2,C3H4BrClO,,,,,,IHBVNSPHKMCPST-UHFFFAOYSA-N,,,,,,,,,,,
100.033.847,237-248-6,13708-67-3,Barium zirconium silicate(2:2:3),barium zirconium silicate(2:2:3),[Ba].[Ba].[Zr].[Zr].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Ba].[Ba].[Zr].[Zr].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Ba.3O3Si.2Zr/c;;3*1-4(2)3;;/q2*+2;3*-2;2*+2,Ba.3/2H4O4Si.Zr,,,,,,ZYYYKYOBCRCAFD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.848,237-249-1,13708-85-5,Disodium phosphonate,disodium phosphonate,[Na+].[Na+].[O-]P(=O)[O-],[Na+].[Na+].[O-]P(=O)[O-],"InChI=1/2Na.H3O3P/c;;1-4(2)3/h;;4H,(H2,1,2,3)/q2*+1;/p-2",H3O3P.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18534,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.848,YPPQYORGOMWNMX-UHFFFAOYSA-L,,,,,,,,,,,
100.031.609,234-784-2,12032-97-2,"Antimony, compound with manganese (1:2)",-,[Sb].[Mn].[Mn],[Sb].[Mn].[Mn],InChI=1/2Mn.Sb/q2*+2;+3,Mn.Sb,,,,,,CMWGISPXZSHYPK-UHFFFAOYSA-N,,,,,,,,,,,
100.031.622,234-798-9,12034-09-2,Sodium niobate,sodium oxido(dioxo)niobium,[Na+].[O-][Nb](=O)=O,[Na+].[O-][Nb](=O)=O,InChI=1/Na.Nb.3O/q+1;;;;-1/rNa.NbO3/c;2-1(3)4/q+1;-1,Na.NbO3,,,,,,UYLYBEXRJGPQSH-UHFFFAOYSA-N,,,,,,,,,,,
100.031.639,234-817-0,12035-23-3,"Antimony, compound with neodymium (1:1)",-,[Sb].[Nd],[Sb].[Nd],InChI=1/Nd.Sb/q2*+3,Nd.Sb,,,,,,DATSOCBXQNFJEM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.650,234-829-6,12035-72-2,Trinickel disulphide,-,S=S=[Ni][Ni][Ni],S=S=[Ni][Ni][Ni],InChI=1/3Ni.S2/c;;;1-2/q;;+1;/rNi3S2/c1-2-3-5-4/q+1,Ni3S2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15953,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.650,UPSUSTJZZWSTPN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.914,240-622-1,16556-52-8,"1-(4-butoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)ethan-1-one","1-(4-butoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone",CCCCOC1=CC(C)(C)C(C(=O)C)C(C)(C)C1,CCCCOC1=CC(C)(C)C(C(=O)C)C(C)(C)C1,"InChI=1/C16H28O2/c1-7-8-9-18-13-10-15(3,4)14(12(2)17)16(5,6)11-13/h10,14H,7-9,11H2,1-6H3",C16H28O2,,,,,,CEFRLRCVISSIDU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.919,240-627-9,16566-21-5,"2,3-dihydrothiazol-2-amine","2,3-dihydro-1,3-thiazol-2-amine",NC1NC=CS1,NC1NC=CS1,"InChI=1/C3H6N2S/c4-3-5-1-2-6-3/h1-3,5H,4H2",C3H6N2S,,,,,,JHXOAXMCYMGJLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.927,240-636-8,16576-98-0,Benzyl(heptadecyl)dimethylammonium chloride,"N-benzyl-N,N-dimethylheptadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C26H48N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(2,3)25-26-22-19-18-20-23-26;/h18-20,22-23H,4-17,21,24-25H2,1-3H3;1H/q+1;/p-1",C26H48N.Cl,,,,,,GYHYHYDLSZKPAC-UHFFFAOYSA-M,,,,,,,,,,,
100.036.930,240-639-4,16586-42-8,3-[ethyl[3-methyl-4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile,"3-(ethyl{3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile",CCN(CCC#N)c3ccc(N=Nc1nc2ccc(cc2s1)[N+]([O-])=O)c(C)c3,CCN(CCC#N)c3ccc(N=Nc1nc2ccc(cc2s1)[N+]([O-])=O)c(C)c3,"InChI=1/C19H18N6O2S/c1-3-24(10-4-9-20)14-5-7-16(13(2)11-14)22-23-19-21-17-8-6-15(25(26)27)12-18(17)28-19/h5-8,11-12H,3-4,10H2,1-2H3",C19H18N6O2S,,,,,,WYHKEXCMJQVTSP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.932,240-642-0,16587-71-6,4-tert-pentylcyclohexanone,"4-(1,1-dimethylpropyl)cyclohexanone",CCC(C)(C)C1CCC(=O)CC1,CCC(C)(C)C1CCC(=O)CC1,"InChI=1/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3",C11H20O,,,,,,DCSKAMGZSIRJAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.936,240-646-2,16588-67-3,3-[ethyl[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile,"3-[ethyl(3-methyl-4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl)amino]propanenitrile",CCN(CCC#N)c3ccc(N=Nc1nc2ccc(cc2s1)S(C)(=O)=O)c(C)c3,CCN(CCC#N)c3ccc(N=Nc1nc2ccc(cc2s1)S(C)(=O)=O)c(C)c3,"InChI=1/C20H21N5O2S2/c1-4-25(11-5-10-21)15-6-8-17(14(2)12-15)23-24-20-22-18-9-7-16(29(3,26)27)13-19(18)28-20/h6-9,12-13H,4-5,11H2,1-3H3",C20H21N5O2S2,,,,,,IMWICXCTLULCFP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.939,240-649-9,16590-41-3,Naltrexone,"17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one",Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O,Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O,"InChI=1/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2",C20H23NO4,,,,,,DQCKKXVULJGBQN-XFWGSAIBSA-N,Positive,EA283001|EA283002|EA283003|EA283004|EA283005|EA283006|EA283007|EA283008|EA283009|EA283010|EA283011|EA283012|EA283013|EA283014,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,324.1596:270.1121:282.1132|342.1699|342.1697:324.159:267.1262|324.1593:270.1124:342.1692|267.1253:324.159:270.1123|212.0706:267.1253:55.0542|212.0705:55.0542:161.0594|342.1701:324.1596|342.1698:324.1592:267.1252|324.1594:270.1123:342.1696|267.1254:324.1592:270.1123|212.0706:267.1252:228.1019|212.0705:55.0542:161.0596|324.1594:270.1124:282.1122,Eawag,,,,,
100.036.951,240-663-5,16613-87-9,2-(dodecylamino)ethanol,2-(dodecylamino)ethanol,CCCCCCCCCCCCNCCO,CCCCCCCCCCCCNCCO,"InChI=1/C14H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16/h15-16H,2-14H2,1H3",C14H31NO,,,,,,HCYSJBICYOIBLS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.602,242-479-0,18654-81-4,(Z)-oct-4-enoic acid,oct-4-enoic acid,CCC\\C=C/CCC(=O)O,CCC\C=C/CCC(=O)O,"InChI=1/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)",C8H14O2,,,,,,PFHBCQFBHMBAMC-PLNGDYQASA-N,,,,,,,,,,,
100.038.608,242-485-3,18664-94-3,"3,3'-[butane-1,4-diylbis(oxy)]bispropiononitrile","3,3'-[butane-1,4-diylbis(oxy)]dipropanenitrile",N#CCCOCCCCOCCC#N,N#CCCOCCCCOCCC#N,"InChI=1/C10H16N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-4,7-10H2",C10H16N2O2,,,,,,RCRNVWKZQROUJM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.613,242-491-6,18674-50-5,"(±)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime","1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime",CC1(C)C2CCC1(C)C(=NO)C2,CC1(C)C2CCC1(C)C(=NO)C2,"InChI=1/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3",C10H17NO,,,,,,OVFDEGGJFJECAT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.875,264-782-7,64339-13-5,N-[3-(trimethoxysilyl)propyl]ethylenediamine monohydrochloride,"N-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine hydrochloride",Cl.CO[Si](CCCNCCN)(OC)OC,Cl.CO[Si](CCCNCCN)(OC)OC,"InChI=1/C8H22N2O3Si.ClH/c1-11-14(12-2,13-3)8-4-6-10-7-5-9;/h10H,4-9H2,1-3H3;1H",C8H22N2O3Si.ClH,,,,,,SZBIXNNLIKDOEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.876,264-783-2,64339-14-6,"[3-[(2-aminoethyl)amino]propyl]silanetriol, monohydrochloride",{3-[(2-aminoethyl)amino]propyl}silanetriol hydrochloride,Cl.NCCNCCC[Si](O)(O)O,Cl.NCCNCCC[Si](O)(O)O,"InChI=1/C5H16N2O3Si.ClH/c6-2-4-7-3-1-5-11(8,9)10;/h7-10H,1-6H2;1H",C5H16N2O3Si.ClH,,,,,,AVRWLBNLMRHDAY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.881,264-789-5,64346-09-4,"Sodium 5,6,7,8-tetrahydronaphthalene-1-sulphonate","sodium 5,6,7,8-tetrahydronaphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)c1cccc2CCCCc12,[Na+].[O-]S(=O)(=O)c1cccc2CCCCc12,"InChI=1/C10H12O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h3,5,7H,1-2,4,6H2,(H,11,12,13);/q;+1/p-1",C10H12O3S.Na,,,,,,KSNRKMFHNKRKJU-UHFFFAOYSA-M,,,,,,,,,,,
100.061.786,267-984-3,67969-83-9,"Hydrogen tetrafluoroborate(1-), compound with methyl ether (1:1)",hydrogen tetrafluoroborate oxydimethane (1:1),COC.F[B-](F)(F)F,COC.F[B-](F)(F)F,"InChI=1/C2H6O.BF4/c1-3-2;2-1(3,4)5/h1-2H3;/q;-1",C2H6O.BF4.H,,,,,,GOKRNJRKIGVPOV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.787,267-985-9,67969-84-0,"3,3-bis(bromomethyl)pentane","3,3-bis(bromomethyl)pentane",CCC(CC)(CBr)CBr,CCC(CC)(CBr)CBr,"InChI=1/C7H14Br2/c1-3-7(4-2,5-8)6-9/h3-6H2,1-2H3",C7H14Br2,,,,,,ZIQNZEFIQWBNHV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.790,267-989-0,67969-87-3,"Trisodium 7-[[4-[[[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]-o-tolyl]azo]naphthalene-1,3-disulphonate","trisodium 7-({4-[({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]-2-methylphenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].COc4cc(ccc4NC(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c3)N=Nc5cccc(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc4cc(ccc4NC(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c3)N=Nc5cccc(c5)S([O-])(=O)=O,"InChI=1/C31H26N6O11S3.3Na/c1-18-12-20(8-10-27(18)37-36-22-7-6-19-13-25(50(42,43)44)17-30(26(19)15-22)51(45,46)47)32-31(38)33-28-11-9-23(16-29(28)48-2)35-34-21-4-3-5-24(14-21)49(39,40)41;;;/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C31H26N6O11S3.3Na,,,,,,FWLOBTCGBAFLDZ-UHFFFAOYSA-K,,,,,,,,,,,
100.061.791,267-990-6,67969-88-4,"Sodium 1-amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])cc2,[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])cc2,"InChI=1/C27H20N2O8S2.Na/c1-15-6-12-18(13-7-15)39(35,36)37-17-10-8-16(9-11-17)29-21-14-22(38(32,33)34)25(28)24-23(21)26(30)19-4-2-3-5-20(19)27(24)31;/h2-14,29H,28H2,1H3,(H,32,33,34);/q;+1/p-1",C27H20N2O8S2.Na,,,,,,YNYQQXPCRFXFIH-UHFFFAOYSA-M,,,,,,,,,,,
100.061.794,267-993-2,67969-92-0,Trisodium 6-amino-3-[[4-[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,trisodium 6-amino-3-{[4-({4-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)Nc3ccc(cc3S([O-])(=O)=O)N=Nc5c(cc4ccc(N)cc4c5O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)Nc3ccc(cc3S([O-])(=O)=O)N=Nc5c(cc4ccc(N)cc4c5O)S([O-])(=O)=O,"InChI=1/C32H25N7O11S3.3Na/c33-18-3-1-16-11-27(52(45,46)47)29(31(40)23(16)13-18)38-36-21-7-5-20(6-8-21)35-25-10-9-22(15-26(25)51(42,43)44)37-39-30-28(53(48,49)50)12-17-2-4-19(34)14-24(17)32(30)41;;;/h1-15,35,40-41H,33-34H2,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",C32H25N7O11S3.3Na,,,,,,RVQBWJAQNZKUOU-UHFFFAOYSA-K,,,,,,,,,,,
100.061.795,267-994-8,67969-93-1,5-(benzoylamino)-2-sulphobenzenediazonium chloride,5-(benzoylamino)-2-sulfobenzenediazonium chloride,[Cl-].OS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1[N+]#N,[Cl-].OS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1[N+]#N,"InChI=1/C13H9N3O4S.ClH/c14-16-11-8-10(6-7-12(11)21(18,19)20)15-13(17)9-4-2-1-3-5-9;/h1-8H,(H-,15,17,18,19,20);1H",C13H10N3O4S.Cl,,,,,,UGPZACXXJGZRMA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.796,267-995-3,67969-94-2,"4-[(4,8-disulpho-2-naphthyl)azo]naphthalene-1-diazonium chloride","4-[(4,8-disulfo-2-naphthyl)diazenyl]naphthalene-1-diazonium chloride",[Cl-].OS(=O)(=O)c4cccc1c4cc(cc1S(O)(=O)=O)N=Nc3ccc([N+]#N)c2ccccc23,[Cl-].OS(=O)(=O)c4cccc1c4cc(cc1S(O)(=O)=O)N=Nc3ccc([N+]#N)c2ccccc23,"InChI=1/C20H12N4O6S2.ClH/c21-22-17-8-9-18(14-5-2-1-4-13(14)17)24-23-12-10-16-15(20(11-12)32(28,29)30)6-3-7-19(16)31(25,26)27;/h1-11H,(H-,25,26,27,28,29,30);1H",C20H13N4O6S2.Cl,,,,,,OYOSSMZXVWRWQR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.798,267-997-4,67969-96-4,4-[2-(4-nitro-2-sulphophenyl)vinyl]-3-sulphobenzenediazonium chloride,4-[2-(4-nitro-2-sulfophenyl)vinyl]-3-sulfobenzenediazonium chloride,[Cl-].OS(=O)(=O)c1cc(ccc1\\C=C\\c2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])[N+]#N,[Cl-].OS(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])[N+]#N,"InChI=1/C14H9N3O8S2.ClH/c15-16-11-5-3-9(13(7-11)26(20,21)22)1-2-10-4-6-12(17(18)19)8-14(10)27(23,24)25;/h1-8H,(H-,20,21,22,23,24,25);1H",C14H10N3O8S2.Cl,,,,,,GSBCGZBNWSFVAB-TYYBGVCCSA-N,,,,,,,,,,,
100.032.179,235-410-0,12221-37-3,3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride,"3-(3-amino-3-oxopropyl)-2-({4-[bis(2-chloroethyl)amino]phenyl}diazenyl)-6-methoxy-1,3-benzothiazol-3-ium chloride",[Cl-].ClCCN(CCCl)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OC,[Cl-].ClCCN(CCCl)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OC,"InChI=1/C21H23Cl2N5O2S.ClH/c1-30-17-6-7-18-19(14-17)31-21(28(18)11-8-20(24)29)26-25-15-2-4-16(5-3-15)27(12-9-22)13-10-23;/h2-7,14H,8-13H2,1H3,(H-,24,29);1H",C21H24Cl2N5O2S.Cl,,,,,,VZOOHWGPNLPIHR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.181,235-412-1,12221-39-5,3-(3-amino-3-oxopropyl)-2-[[4-(diethylamino)-m-tolyl]azo]-6-methylbenzothiazolium chloride,"3-(3-amino-3-oxopropyl)-2-{[4-(diethylamino)-3-methylphenyl]diazenyl}-6-methyl-1,3-benzothiazol-3-ium chloride",[Cl-].CCN(CC)c1ccc(cc1C)N=Nc3sc2cc(C)ccc2[n+]3CCC(N)=O,[Cl-].CCN(CC)c1ccc(cc1C)N=Nc3sc2cc(C)ccc2[n+]3CCC(N)=O,"InChI=1/C22H27N5OS.ClH/c1-5-26(6-2)18-10-8-17(14-16(18)4)24-25-22-27(12-11-21(23)28)19-9-7-15(3)13-20(19)29-22;/h7-10,13-14H,5-6,11-12H2,1-4H3,(H-,23,28);1H",C22H28N5OS.Cl,,,,,,MLRQFXBXJXTPHX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.199,235-432-0,12225-86-4,"4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",Clc1nc(nc(Cl)n1)Nc4ccc(N=NC3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(c4)S(O)(=O)=O,Clc1nc(nc(Cl)n1)Nc4ccc(N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(c4)S(O)(=O)=O,"InChI=1/C19H12Cl2N8O9S2/c20-17-23-18(21)25-19(24-17)22-8-1-6-11(12(7-8)40(36,37)38)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25)",C19H12Cl2N8O9S2,,,,,,IHRFTCGTRALYFG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.202,235-435-7,12226-45-8,"Disodium 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-o-tolyl]azo]naphthalene-1,5-disulphonate","disodium 3-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4,[Na+].[Na+].Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4,"InChI=1/C20H14Cl2N6O6S2.2Na/c1-10-7-11(23-20-25-18(21)24-19(22)26-20)5-6-15(10)28-27-12-8-14-13(17(9-12)36(32,33)34)3-2-4-16(14)35(29,30)31;;/h2-9H,1H3,(H,29,30,31)(H,32,33,34)(H,23,24,25,26);;/q;2*+1/p-2",C20H14Cl2N6O6S2.2Na,,,,,,BMAUDWDYKLUBPY-UHFFFAOYSA-L,,,,,,,,,,,
100.031.337,234-485-7,12006-21-2,Iron diarsenide,diarsinidyneiron,[As]#[Fe]#[As],[As]#[Fe]#[As],InChI=1/2As.Fe/rAs2Fe/c1-3-2,As2Fe,,,,,,YZGDXCSWFQZASX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.151,238-682-9,14638-69-8,Diammonium cerium(4+) trisulphate,diammonium cerium(4+) trisulphate,[NH4+].[NH4+].[Ce+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[Ce+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Ce.2H3N.3H2O4S/c;;;3*1-5(2,3)4/h;2*1H3;3*(H2,1,2,3,4)/q+4;;;;;/p-4",Ce.2H3N.3H2O4S,,,,,,IPLMNKLLGMDMKO-UHFFFAOYSA-J,,,,,,,,,,,
100.035.157,238-689-7,14640-56-3,Dicobalt diphosphate,dicobalt diphosphate,[Co+2].[Co+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Co+2].[Co+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2Co.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-6",Co.1/2H4O7P2,,,,,,HLXOPNLYKWDIGG-UHFFFAOYSA-H,,,,,,,,,,,
100.035.159,238-691-8,14641-93-1,4-O-ß-D-galactopyranosyl-a-D-glucopyranose,4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2",C12H22O11,,,,,,GUBGYTABKSRVRQ-XLOQQCSPSA-N,,,,,,,,,,,
100.035.160,238-692-3,14643-87-9,Zinc acrylate,zinc diacrylate,[Zn+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Zn+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Zn,,,,,,XKMZOFXGLBYJLS-UHFFFAOYSA-L,,,,,,,,,,,
100.035.166,238-699-1,14650-24-9,2-[[(heptadecafluorooctyl)sulphonyl]methylamino]ethyl methacrylate,2-{[(heptadecafluorooctyl)sulfonyl](methyl)amino}ethyl methacrylate,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H12F17NO4S/c1-6(2)7(34)37-5-4-33(3)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h1,4-5H2,2-3H3",C15H12F17NO4S,,,,,,UZMOXNBUTMPDCX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.167,238-700-5,14650-46-5,Sodium 3-aminopropanesulphonate,sodium 3-aminopropane-1-sulfonate,[Na+].NCCCS(=O)(=O)[O-],[Na+].NCCCS(=O)(=O)[O-],"InChI=1/C3H9NO3S.Na/c4-2-1-3-8(5,6)7;/h1-4H2,(H,5,6,7);/q;+1/p-1",C3H9NO3S.Na,,,,,,KMGJRCNLDZGSFX-UHFFFAOYSA-M,,,,,,,,,,,
100.035.175,238-708-9,14666-84-3,2-(dimethylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropionate hydrochloride,2-(dimethylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate hydrochloride,Cl.CN(C)CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,Cl.CN(C)CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,"InChI=1/C14H20ClNO3.ClH/c1-14(2,13(17)18-10-9-16(3)4)19-12-7-5-11(15)6-8-12;/h5-8H,9-10H2,1-4H3;1H",C14H20ClNO3.ClH,,,,,,SNMIXMYCGBZBEO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.912,239-519-4,15491-89-1,Dipotassium disodium diphosphate,dipotassium disodium diphosphate,[Na+].[Na+].[K+].[K+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[K+].[K+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2K.2Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q4*+1;;/p-6",H4O7P2.2K.2Na,,,,,,FYIFITNFHGKSOB-UHFFFAOYSA-H,,,,,,,,,,,
100.035.913,239-521-5,15492-38-3,Rhodium triiodide,-,[Rh+2].[I-].[I-].[I-],[Rh+2].[I-].[I-].[I-],InChI=1/3HI.Rh/h3*1H;/q;;;+2/p-3,I3Rh,,,,,,YMNNKMQKWFVRSR-UHFFFAOYSA-K,,,,,,,,,,,
100.035.923,239-532-5,15500-66-0,Pancuronium bromide,"3,17-diacetoxy-2,16-bis(1-methylpiperidinium-1-yl)androstane dibromide",[Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1[N+]6(C)CCCCC6,[Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1[N+]6(C)CCCCC6,"InChI=1/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2",C35H60N2O4.2Br,,,,,,NPIJXCQZLFKBMV-YTGGZNJNSA-L,,,,,,,,,,,
100.035.924,239-533-0,15501-33-4,"1-iodo-2,2-dimethylpropane","1-iodo-2,2-dimethylpropane",CC(C)(C)CI,CC(C)(C)CI,"InChI=1/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3",C5H11I,,,,,,CJTZXIJETZZARD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.926,239-535-1,15505-13-2,Disodium 2-ethylhexyl phosphate,disodium 2-ethylhexyl phosphate,[Na+].[Na+].CCCCC(CC)COP(=O)([O-])[O-],[Na+].[Na+].CCCCC(CC)COP(=O)([O-])[O-],"InChI=1/C8H19O4P.2Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;2*+1/p-2",C8H19O4P.2Na,,,,,,NIFGJMWDJOVFPC-UHFFFAOYSA-L,,,,,,,,,,,
100.035.929,239-538-8,15510-55-1,Dodecyltriphenylphosphonium bromide,dodecyl(triphenyl)phosphonium bromide,[Br-].CCCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C30H40P.BrH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1",C30H40P.Br,,,,,,NSIFOGPAKNSGNW-UHFFFAOYSA-M,,,,,,,,,,,
100.035.933,239-543-5,15513-52-7,"2,6-dimethyl-3-nitropyridine","2,6-dimethyl-3-nitropyridine",Cc1ccc(c(C)n1)[N+](=O)[O-],Cc1ccc(c(C)n1)[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-3-4-7(9(10)11)6(2)8-5/h3-4H,1-2H3",C7H8N2O2,,,,,,AETHUDGJSSKZKT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.944,239-555-0,15520-05-5,"2,2'-(octylimino)bisethanol","2,2'-(octylimino)diethanol",CCCCCCCCN(CCO)CCO,CCCCCCCCN(CCO)CCO,"InChI=1/C12H27NO2/c1-2-3-4-5-6-7-8-13(9-11-14)10-12-15/h14-15H,2-12H2,1H3",C12H27NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18314,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.944,QZQNMMLYACBCMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.945,239-556-6,15520-10-2,"2-methylpentane-1,5-diamine","2-methylpentane-1,5-diamine",CC(CN)CCCN,CC(CN)CCCN,"InChI=1/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3",C6H16N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5754,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.945,JZUHIOJYCPIVLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.954,239-566-0,15525-13-0,Tetramethylammonium tetraphenylborate,"N,N,N-trimethylmethanaminium tetraphenylborate(1-)",C[N+](C)(C)C.c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4,C[N+](C)(C)C.c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20B.C4H12N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5(2,3)4/h1-20H;1-4H3/q-1;+1",C24H20B.C4H12N,,,,,,OYLLGGNHXZRMRR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.931,236-239-4,13253-82-2,[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamic acid,{4-[(4-aminocyclohexyl)methyl]cyclohexyl}carbamic acid,NC1CCC(CC2CCC(CC2)NC(=O)O)CC1,NC1CCC(CC2CCC(CC2)NC(=O)O)CC1,"InChI=1/C14H26N2O2/c15-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)16-14(17)18/h10-13,16H,1-9,15H2,(H,17,18)",C14H26N2O2,,,,,,NAXYKJVXULDOFW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.932,236-241-5,13254-04-1,N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]glycine,N-[(benzyloxy)carbonyl]-D-isoleucylglycine,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O,"InChI=1/C16H22N2O5/c1-3-11(2)14(15(21)17-9-13(19)20)18-16(22)23-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)",C16H22N2O5,,,,,,RWAYODJQGJVQGX-IAXJKZSUSA-N,,,,,,,,,,,
100.032.938,236-247-8,13255-50-0,4-formyl-N-isopropylbenzamide,4-formyl-N-isopropylbenzamide,CC(C)NC(=O)c1ccc(C=O)cc1,CC(C)NC(=O)c1ccc(C=O)cc1,"InChI=1/C11H13NO2/c1-8(2)12-11(14)10-5-3-9(7-13)4-6-10/h3-8H,1-2H3,(H,12,14)",C11H13NO2,,,,,,OMFHZDXZIJJKFP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.939,236-248-3,13257-34-6,Sodium icosanoate,sodium icosanoate,[Na+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C20H40O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1",C20H40O2.Na,,,,,,MRQYKJNZWPCFNB-UHFFFAOYSA-M,,,,,,,,,,,
100.032.943,236-253-0,13257-88-0,"1-(trimethylsilyl)-1H-1,2,3-triazole","1-(trimethylsilyl)-1H-1,2,3-triazole",C[Si](C)(C)n1ccnn1,C[Si](C)(C)n1ccnn1,"InChI=1/C5H11N3Si/c1-9(2,3)8-5-4-6-7-8/h4-5H,1-3H3",C5H11N3Si,,,,,,MJXUZAHRGOEWSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.803,268-003-1,67970-30-3,Di-tert-butylnaphthalenesulphonic acid,"2,3-di-tert-butylnaphthalene-1-sulfonic acid",CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)O,CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)O,"InChI=1/C18H24O3S/c1-17(2,3)14-11-12-9-7-8-10-13(12)16(22(19,20)21)15(14)18(4,5)6/h7-11H,1-6H3,(H,19,20,21)",C20H28O3S,,,,,,RSOAMRXKGHCGNC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.813,268-014-1,67989-84-8,"[2,2-bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]ethyl]benzene","{2,2-bis[(1,5-dimethyl-1-vinylhex-4-en-1-yl)oxy]ethyl}benzene",CC(=CCCC(C)(OC(Cc1ccccc1)OC(C)(CCC=C(C)C)C=C)C=C)C,CC(=CCCC(C)(OC(Cc1ccccc1)OC(C)(CCC=C(C)C)C=C)C=C)C,"InChI=1/C28H42O2/c1-9-27(7,20-14-16-23(3)4)29-26(22-25-18-12-11-13-19-25)30-28(8,10-2)21-15-17-24(5)6/h9-13,16-19,26H,1-2,14-15,20-22H2,3-8H3",C28H42O2,,,,,,SWVPEZYERZIFRI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.824,268-026-7,67990-02-7,4-chloro-2-methylcyclohexanecarboxylic acid,4-chloro-2-methylcyclohexanecarboxylic acid,CC1CC(Cl)CCC1C(=O)O,CC1CC(Cl)CCC1C(=O)O,"InChI=1/C8H13ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)",C8H13ClO2,,,,,,AIANUUBCPQNGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.296,266-346-1,66410-37-5,"2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxylic acid","7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid",CNS(=O)(=O)c1cc2OCCOc2c(c1)C(=O)O,CNS(=O)(=O)c1cc2OCCOc2c(c1)C(=O)O,"InChI=1/C10H11NO6S/c1-11-18(14,15)6-4-7(10(12)13)9-8(5-6)16-2-3-17-9/h4-5,11H,2-3H2,1H3,(H,12,13)",C10H11NO6S,,,,,,NQEQVGJQJCYZNI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.298,266-348-2,66410-51-3,"7-(N,N-dimethylsulphamoyl)-2,3-dihydro-N-[(1-methyl-2-pyrrolidinyl)methyl]-1,4-benzodioxin-5-carboxamide","7-(dimethylsulfamoyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide",CN(C)S(=O)(=O)c1cc2OCCOc2c(c1)C(=O)NCC3CCCN3C,CN(C)S(=O)(=O)c1cc2OCCOc2c(c1)C(=O)NCC3CCCN3C,"InChI=1/C17H25N3O5S/c1-19(2)26(22,23)13-9-14(16-15(10-13)24-7-8-25-16)17(21)18-11-12-5-4-6-20(12)3/h9-10,12H,4-8,11H2,1-3H3,(H,18,21)",C17H25N3O5S,,,,,,JTKAQKREMDVCLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.309,266-360-8,66424-92-8,5-methyl-2-nitrobenzyl alcohol,(5-methyl-2-nitrophenyl)methanol,Cc1ccc(c(CO)c1)[N+](=O)[O-],Cc1ccc(c(CO)c1)[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,10H,5H2,1H3",C8H9NO3,,,,,,IKEYTRGLCHZQHO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.313,266-365-5,66451-68-1,(carboxymethyl)dimethyl(1-oxooctadecyl)ammonium hydroxide,"N-(carboxymethyl)-N,N-dimethyl-1-oxooctadecan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CC(=O)O,[OH-].CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CC(=O)O,"InChI=1/C22H43NO3.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23(2,3)20-22(25)26;/h4-20H2,1-3H3;1H2",C22H43NO3,,,,,,FLBSTBFNHMWAQO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.318,266-370-2,66470-38-0,"4,9-dioxo-3,5,10-trioxa-8-azatridec-12-en-1-yl methacrylate","4,9-dioxo-3,5,10-trioxa-8-azatridec-12-en-1-yl methacrylate",CC(=C)C(=O)OCCOC(=O)OCCNC(=O)OCC=C,CC(=C)C(=O)OCCOC(=O)OCCNC(=O)OCC=C,"InChI=1/C13H19NO7/c1-4-6-19-12(16)14-5-7-20-13(17)21-9-8-18-11(15)10(2)3/h4H,1-2,5-9H2,3H3,(H,14,16)",C13H19NO7,,,,,,KVWLRDVRAFLQPD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.320,266-372-3,66470-90-4,"1-[[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino]propan-2-ol","1-{[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino}propan-2-ol",CC(O)CNCC1(C)CC(N)CC(C)(C)C1,CC(O)CNCC1(C)CC(N)CC(C)(C)C1,"InChI=1/C13H28N2O/c1-10(16)7-15-9-13(4)6-11(14)5-12(2,3)8-13/h10-11,15-16H,5-9,14H2,1-4H3",C13H28N2O,,,,,,QUQZYDPUJYFFMD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.325,266-378-6,66477-43-8,2-[3-(mercaptomethyl)phenoxy]propionic acid,2-[3-(sulfanylmethyl)phenoxy]propanoic acid,CC(Oc1cccc(CS)c1)C(=O)O,CC(Oc1cccc(CS)c1)C(=O)O,"InChI=1/C10H12O3S/c1-7(10(11)12)13-9-4-2-3-8(5-9)6-14/h2-5,7,14H,6H2,1H3,(H,11,12)",C10H12O3S,,,,,,RKQNEZAUXLNGJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.357,260-912-1,57706-88-4,"(±)-3,7-dimethyloctan-3-ol","3,7-dimethyloctan-3-ol",CCC(C)(O)CCCC(C)C,CCC(C)(O)CCCC(C)C,"InChI=1/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3",C10H22O,,,,,,DLHQZZUEERVIGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.360,260-915-8,57718-44-2,N-(2-nitrophenyl)piperidin-4-amine,N-(2-nitrophenyl)piperidin-4-amine,[O-][N+](=O)c1ccccc1NC2CCNCC2,[O-][N+](=O)c1ccccc1NC2CCNCC2,"InChI=1/C11H15N3O2/c15-14(16)11-4-2-1-3-10(11)13-9-5-7-12-8-6-9/h1-4,9,12-13H,5-8H2",C11H15N3O2,,,,,,JFDLNTWOJUPVTD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.362,260-917-9,57718-48-6,"N-[1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-yl]benzene-1,4-diamine","N-(1-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}piperidin-4-yl)benzene-1,4-diamine",Nc1ccc(NC2CCN(CCCC3(OCCO3)c4ccc(F)cc4)CC2)cc1,Nc1ccc(NC2CCN(CCCC3(OCCO3)c4ccc(F)cc4)CC2)cc1,"InChI=1/C23H30FN3O2/c24-19-4-2-18(3-5-19)23(28-16-17-29-23)12-1-13-27-14-10-22(11-15-27)26-21-8-6-20(25)7-9-21/h2-9,22,26H,1,10-17,25H2",C23H30FN3O2,,,,,,HJFIMMPGFZUPEU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.363,260-918-4,57726-26-8,a-ethoxy-p-cresol,4-(ethoxymethyl)phenol,CCOCc1ccc(O)cc1,CCOCc1ccc(O)cc1,"InChI=1/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3",C9H12O2,,,,,,UWQZVUQKBWZNLN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.176,238-709-4,14666-94-5,"Oleic acid, cobalt salt",-,[Co+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Co+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+2/p-1",C18H34O2.xCo,,,,,,IWNMVERPBFAOPL-KVVVOXFISA-M,,,,,,,,,,,
100.035.183,238-717-8,14676-61-0,3-(tridecyloxy)propylamine,3-(tridecyloxy)propan-1-amine,CCCCCCCCCCCCCOCCCN,CCCCCCCCCCCCCOCCCN,"InChI=1/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-17H2,1H3",C16H35NO,,,,,,JPNCZSADMGXVPA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.184,238-718-3,14676-93-8,Chromium oxalate,chromium(2+) oxalate,[Cr+2].[O-]C(=O)C(=O)[O-],[Cr+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Cr/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.xCr,,,,,,XVHFYNOGAFYRJV-UHFFFAOYSA-L,,,,,,,,,,,
100.035.185,238-719-9,14678-02-5,3-methylisoxazol-5-amine,3-methylisoxazol-5-amine,Cc1cc(N)on1,Cc1cc(N)on1,"InChI=1/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3",C4H6N2O,,,,,,FNXYWHTZDAVRTB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.186,238-720-4,14678-05-8,Isoxazol-5-amine,isoxazol-5-amine,Nc1oncc1,Nc1oncc1,"InChI=1/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2",C3H4N2O,,,,,,IAXWZYXUKABJAN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.191,238-726-7,14685-29-1,"2,4,6,8-tetrabutyl-2,4,6,8-tetramethylcyclotetrasiloxane","2,4,6,8-tetrabutyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",CCCC[Si]1(C)O[Si](C)(CCCC)O[Si](C)(CCCC)O[Si](C)(CCCC)O1,CCCC[Si]1(C)O[Si](C)(CCCC)O[Si](C)(CCCC)O[Si](C)(CCCC)O1,"InChI=1/C20H48O4Si4/c1-9-13-17-25(5)21-26(6,18-14-10-2)23-28(8,20-16-12-4)24-27(7,22-25)19-15-11-3/h9-20H2,1-8H3",C20H48O4Si4,,,,,,WRMMUMWFPNLNGA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.838,247-137-4,25629-50-9,3-(2-chlorophenyl)-5-methylisoxazole-4-carbonyl chloride,3-(2-chlorophenyl)-5-methylisoxazole-4-carbonyl chloride,Cc1onc(c2ccccc2Cl)c1C(=O)Cl,Cc1onc(c2ccccc2Cl)c1C(=O)Cl,"InChI=1/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3",C11H7Cl2NO2,,,,,,BPDBLWKFVXHGFT-UHFFFAOYSA-N,,,,,,,,,,,
100.042.842,247-142-1,25635-97-6,"N'-(3-hydroxyphenyl)-N,N-dimethylformamidine","N'-(3-hydroxyphenyl)-N,N-dimethylimidoformamide",Oc1cccc(N=CN(C)C)c1,Oc1cccc(N=CN(C)C)c1,"InChI=1/C9H12N2O/c1-11(2)7-10-8-4-3-5-9(12)6-8/h3-7,12H,1-2H3",C9H12N2O,,,,,,RKXRPBBZGFLVTF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.843,247-143-7,25637-27-8,Hexapentyldistannoxane,hexapentyldistannoxane,CCCCC[Sn](CCCCC)(CCCCC)O[Sn](CCCCC)(CCCCC)CCCCC,CCCCC[Sn](CCCCC)(CCCCC)O[Sn](CCCCC)(CCCCC)CCCCC,"InChI=1/6C5H11.O.2Sn/c6*1-3-5-4-2;;;/h6*1,3-5H2,2H3;;;/rC30H66OSn2/c1-7-13-19-25-32(26-20-14-8-2,27-21-15-9-3)31-33(28-22-16-10-4,29-23-17-11-5)30-24-18-12-6/h7-30H2,1-6H3",C30H66OSn2,,,,,,MNFUDUQONWPBMD-UHFFFAOYSA-N,,,,,,,,,,,
100.042.846,247-146-3,25637-88-1,Didodecyl hydrogen citrate,5-(dodecyloxy)-3-[(dodecyloxy)carbonyl]-3-hydroxy-5-oxopentanoic acid,CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)OCCCCCCCCCCCC,"InChI=1/C30H56O7/c1-3-5-7-9-11-13-15-17-19-21-23-36-28(33)26-30(35,25-27(31)32)29(34)37-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-26H2,1-2H3,(H,31,32)",C30H56O7,,,,,,OXWYVKBPHCCYMO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.852,247-153-1,25640-28-2,"Phosphoric acid, magnesium sodium salt",magnesium sodium phosphate,[Na+].[Mg+2].[O-]P(=O)([O-])[O-],[Na+].[Mg+2].[O-]P(=O)([O-])[O-],"InChI=1/Mg.Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+2;+1;/p-3",H3O4P.xMg.xNa,,,,,,YJGHGAPHHZGFMF-UHFFFAOYSA-K,,,,,,,,,,,
100.042.853,247-154-7,25640-70-4,Bis(1-phenylethyl)phenol,"2,3-bis(1-phenylethyl)phenol",CC(c1ccccc1)c2cccc(O)c2C(C)c3ccccc3,CC(c1ccccc1)c2cccc(O)c2C(C)c3ccccc3,"InChI=1/C22H22O/c1-16(18-10-5-3-6-11-18)20-14-9-15-21(23)22(20)17(2)19-12-7-4-8-13-19/h3-17,23H,1-2H3",C22H22O,,,,,,ALEYBMUCCRAJEB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.855,247-156-8,25640-78-2,"(1-methylethyl)-1,1'-biphenyl",2-isopropylbiphenyl,CC(C)c1ccccc1c2ccccc2,CC(C)c1ccccc1c2ccccc2,"InChI=1/C15H16/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-12H,1-2H3",C15H16,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10021,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.855,HKTCLPBBJDIBGF-UHFFFAOYSA-N,,,,,,,,,,,
100.042.858,247-159-4,25641-99-0,"1,2-bis(dichloromethyl)benzene","1,2-bis(dichloromethyl)benzene",ClC(Cl)c1ccccc1C(Cl)Cl,ClC(Cl)c1ccccc1C(Cl)Cl,"InChI=1/C8H6Cl4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H",C8H6Cl4,,,,,,UFJYKWQUTDGGPV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.863,247-165-7,25653-16-1,"Tris(3,5-xylyl) phosphate","tris(3,5-dimethylphenyl) phosphate",Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3)c1,Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3)c1,"InChI=1/C24H27O4P/c1-16-7-17(2)11-22(10-16)26-29(25,27-23-12-18(3)8-19(4)13-23)28-24-14-20(5)9-21(6)15-24/h7-15H,1-6H3",C24H27O4P,,,,,,LLPMAOBOEQFPRE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.865,247-167-8,25658-80-4,5-chloroindoline,5-chloroindoline,Clc1ccc2NCCc2c1,Clc1ccc2NCCc2c1,"InChI=1/C8H8ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2",C8H8ClN,,,,,,YMCIVAPEOZDEGH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.867,247-169-9,25660-70-2,"5-(ethylthio)-1,3,4-thiadiazol-2-amine","5-(ethylsulfanyl)-1,3,4-thiadiazol-2-amine",CCSc1nnc(N)s1,CCSc1nnc(N)s1,"InChI=1/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)",C4H7N3S2,,,,,,VWRHSNKTSSIMGE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.948,236-258-8,13264-92-1,2-nitrophenyl 2-acetamido-2-deoxy-ß-D-glucopyranoside,2-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2[N+](=O)[O-],CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2[N+](=O)[O-],"InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)",C14H18N2O8,,,,,,PXMQUEGJJUADKD-DHGKCCLASA-N,,,,,,,,,,,
100.032.951,236-261-4,13269-52-8,trans-hex-3-ene,hex-3-ene,CC\\C=C\\CC,CC\C=C\CC,"InChI=1/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3",C6H12,,,,,,ZQDPJFUHLCOCRG-AATRIKPKSA-N,,,,,,,,,,,
100.032.955,236-266-1,13269-74-4,Dimethylthioxostannane,dimethyl(thioxo)stannane,C[Sn](=S)C,C[Sn](=S)C,InChI=1/2CH3.S.Sn/h2*1H3;;/rC2H6SSn/c1-4(2)3/h1-2H3,C2H6SSn,,,,,,RVMIAWRQTOWLOY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.959,236-270-3,13273-85-3,"2,5,5-trimethyl-2-(3-methylbutyl)-1,3-dioxane","2,5,5-trimethyl-2-(3-methylbutyl)-1,3-dioxane",CC(C)CCC1(C)OCC(C)(C)CO1,CC(C)CCC1(C)OCC(C)(C)CO1,"InChI=1/C12H24O2/c1-10(2)6-7-12(5)13-8-11(3,4)9-14-12/h10H,6-9H2,1-5H3",C12H24O2,,,,,,KJWBXOPQYZIDPU-UHFFFAOYSA-N,,,,,,,,,,,
100.032.960,236-271-9,13273-90-0,"2-hexyl-5,5-dimethyl-1,3-dioxane","2-hexyl-5,5-dimethyl-1,3-dioxane",CCCCCCC1OCC(C)(C)CO1,CCCCCCC1OCC(C)(C)CO1,"InChI=1/C12H24O2/c1-4-5-6-7-8-11-13-9-12(2,3)10-14-11/h11H,4-10H2,1-3H3",C12H24O2,,,,,,VWWWESAUUDUBMA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.963,236-275-0,13276-04-5,Amminetriphenylboron,triphenylborane,c1ccc(cc1)B(c2ccccc2)c3ccccc3,c1ccc(cc1)B(c2ccccc2)c3ccccc3,InChI=1/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,C18H18BN,,,,,,MXSVLWZRHLXFKH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.971,236-283-4,13280-60-9,5-amino-2-nitrobenzoic acid,5-amino-2-nitrobenzoic acid,Nc1ccc(c(c1)C(=O)O)[N+](=O)[O-],Nc1ccc(c(c1)C(=O)O)[N+](=O)[O-],"InChI=1/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11)",C7H6N2O4,,,,,,KZZWQCKYLNIOBT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.568,239-140-4,15087-68-0,2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)anilino]ethyl benzoate,2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(2-cyanoethyl)amino]ethyl benzoate,[O-][N+](=O)c1ccc(N=Nc2ccc(cc2)N(CCOC(=O)c3ccccc3)CCC#N)c(Cl)c1,[O-][N+](=O)c1ccc(N=Nc2ccc(cc2)N(CCOC(=O)c3ccccc3)CCC#N)c(Cl)c1,"InChI=1/C24H20ClN5O4/c25-22-17-21(30(32)33)11-12-23(22)28-27-19-7-9-20(10-8-19)29(14-4-13-26)15-16-34-24(31)18-5-2-1-3-6-18/h1-3,5-12,17H,4,14-16H2",C24H20ClN5O4,,,,,,GGZWNOLYDCKMNW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.569,239-142-5,15087-70-4,2-[[4-[(2-cyano-3-nitrophenyl)azo]phenyl](2-cyanoethyl)amino]ethyl benzoate,2-[(2-cyanoethyl){4-[(2-cyano-3-nitrophenyl)diazenyl]phenyl}amino]ethyl benzoate,N#CCCN(CCOC(=O)c1ccccc1)c3ccc(N=Nc2cccc(c2C#N)[N+]([O-])=O)cc3,N#CCCN(CCOC(=O)c1ccccc1)c3ccc(N=Nc2cccc(c2C#N)[N+]([O-])=O)cc3,"InChI=1/C25H20N6O4/c26-14-5-15-30(16-17-35-25(32)19-6-2-1-3-7-19)21-12-10-20(11-13-21)28-29-23-8-4-9-24(31(33)34)22(23)18-27/h1-4,6-13H,5,15-17H2",C25H20N6O4,,,,,,WNSXIADERNCBPB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.576,239-149-3,15097-49-1,1-(trimethylsilyl)pyrrolidine,1-(trimethylsilyl)pyrrolidine,C[Si](C)(C)N1CCCC1,C[Si](C)(C)N1CCCC1,"InChI=1/C7H17NSi/c1-9(2,3)8-6-4-5-7-8/h4-7H2,1-3H3",C7H17NSi,,,,,,NQLVIKZJXFGUET-UHFFFAOYSA-N,,,,,,,,,,,
100.035.578,239-151-4,15100-75-1,tert-butyl 3-phenyl-L-alaninate hydrochloride,tert-butyl L-phenylalaninate hydrochloride,Cl.CC(C)(C)OC(=O)[C@@H](N)Cc1ccccc1,Cl.CC(C)(C)OC(=O)[C@@H](N)Cc1ccccc1,"InChI=1/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H",C13H19NO2.ClH,,,,,,FDMCEXDXULPJPG-MERQFXBCSA-N,,,,,,,,,,,
100.035.581,239-155-6,15103-32-9,"4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ylmethanol","(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)methanol",CC1=CC2C(CC1CO)C2(C)C,CC1=CC2C(CC1CO)C2(C)C,"InChI=1/C11H18O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h4,8-10,12H,5-6H2,1-3H3",C11H18O,,,,,,LUYUYAZOPRAIRX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.590,239-165-0,15112-89-7,"N,N,N',N',N'',N''-hexamethylsilanetriamine","N,N,N',N',N'',N''-hexamethylsilanetriamine",CN(C)[SiH](N(C)C)N(C)C,CN(C)[SiH](N(C)C)N(C)C,"InChI=1/C6H19N3Si/c1-7(2)10(8(3)4)9(5)6/h10H,1-6H3",C6H19N3Si,,,,,,TWVSWDVJBJKDAA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.600,235-876-5,13018-95-6,(2-hydroxyethyl)dimethyloctadecylammonium chloride,"N-(2-hydroxyethyl)-N,N-dimethyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCO,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCO,"InChI=1/C22H48NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22-24;/h24H,4-22H2,1-3H3;1H/q+1;/p-1",C22H48NO.Cl,,,,,,QOLLYDAQOZBRAL-UHFFFAOYSA-M,,,,,,,,,,,
100.032.605,235-881-2,13021-40-4,"Disodium 3,4,5,6-tetraoxocyclohexene-1,2-diolate","disodium 3,4,5,6-tetraoxocyclohex-1-ene-1,2-diolate",[Na+].[Na+].[O-]C1=C([O-])C(=O)C(=O)C(=O)C1=O,[Na+].[Na+].[O-]C1=C([O-])C(=O)C(=O)C(=O)C1=O,InChI=1/C6H2O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;;/q;2*+1/p-2,C6H2O6.2K,,,,,,SXWPCWBFJXDMAI-UHFFFAOYSA-L,,,,,,,,,,,
100.032.608,235-884-9,13024-90-3,"2-(4-chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(4-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2ccc(Cl)cc2,CC1=NN(C(=O)C1)c2ccc(Cl)cc2,"InChI=1/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3",C10H9ClN2O,,,,,,WHIXQFSPEDIMGL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.615,235-892-2,13031-32-8,Nitro(2H3)methane,nitromethane,CN(=O)=O,CN(=O)=O,InChI=1/CH3NO2/c1-2(3)4/h1H3,CD3NO2,,,,,,LYGJENNIWJXYER-UHFFFAOYSA-N,,,,,,,,,,,
100.038.616,242-494-2,18675-24-6,2-methyldecan-1-ol,2-methyldecan-1-ol,CCCCCCCCC(C)CO,CCCCCCCCC(C)CO,"InChI=1/C11H24O/c1-3-4-5-6-7-8-9-11(2)10-12/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,JZEUFFFBEMAJHS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.618,242-496-3,18675-28-0,trans-3-(isopropyl)-6-methylcyclohex-2-en-1-ol,3-isopropyl-6-methylcyclohex-2-en-1-ol,CC(C)C1=C[C@@H](O)[C@H](C)CC1,CC(C)C1=C[C@@H](O)[C@H](C)CC1,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8,10-11H,4-5H2,1-3H3",C10H18O,,,,,,WEJSIMPWEOUMJB-PSASIEDQSA-N,,,,,,,,,,,
100.038.619,242-497-9,18679-18-0,(Z)-dihydro-5-(2-octenyl)furan-2(3H)-one,5-oct-2-en-1-yldihydrofuran-2(3H)-one,CCCCC\\C=C/CC1CCC(=O)O1,CCCCC\C=C/CC1CCC(=O)O1,"InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3",C12H20O2,,,,,,QFXOXDSHNXAFEY-SREVYHEPSA-N,,,,,,,,,,,
100.038.622,242-501-9,18684-11-2,Trimethyl(octadecyl)ammonium methyl sulphate,"N,N,N-trimethyloctadecan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C21H46N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-5-6(2,3)4/h5-21H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C21H46N.CH3O4S,,,,,,WYTNTFGZBBTWNR-UHFFFAOYSA-M,,,,,,,,,,,
100.038.752,242-644-7,18880-36-9,Sodium 3-[[(dimethylamino)thioxomethyl]thio]propanesulphonate,sodium 3-[(dimethylcarbamothioyl)sulfanyl]propane-1-sulfonate,[Na+].CN(C)C(=S)SCCCS(=O)(=O)[O-],[Na+].CN(C)C(=S)SCCCS(=O)(=O)[O-],"InChI=1/C6H13NO3S3.Na/c1-7(2)6(11)12-4-3-5-13(8,9)10;/h3-5H2,1-2H3,(H,8,9,10);/q;+1/p-1",C6H13NO3S3.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17877,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.752,ALXDAYUOWUEKLS-UHFFFAOYSA-M,,,,,,,,,,,
100.038.753,242-645-2,18881-04-4,"[1S-(1a,2ß,5a)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=CC(O)C2CC1C2(C)C,CC1=CC(O)C2CC1C2(C)C,"InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3",C10H16O,,,,,,WONIGEXYPVIKFS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.754,242-646-8,18883-66-4,Streptozocin,2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-D-glucopyranose,CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)",C8H15N3O7,,,,,,ZSJLQEPLLKMAKR-GKHCUFPYSA-N,,,,,,,,,,,
100.038.765,242-658-3,18908-07-1,3-methoxyphenyl isocyanate,1-isocyanato-3-methoxybenzene,COc1cccc(c1)N=C=O,COc1cccc(c1)N=C=O,"InChI=1/C8H7NO2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3",C8H7NO2,,,,,,NPOVTGVGOBJZPY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.766,242-659-9,18908-66-2,3-(bromomethyl)heptane,3-(bromomethyl)heptane,CCCCC(CC)CBr,CCCCC(CC)CBr,"InChI=1/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3",C8H17Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19046,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.766,NZWIYPLSXWYKLH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.856,237-258-0,13709-52-9,Hafnium tetrafluoride,hafnium tetrafluoride,[F-].[F-].[F-].[F-].[Hf+4],[F-].[F-].[F-].[F-].[Hf+4],InChI=1/4FH.Hf/h4*1H;/q;;;;+4/p-4,F4Hf,,,,,,QHEDSQMUHIMDOL-UHFFFAOYSA-J,,,,,,,,,,,
100.033.860,237-262-2,13709-94-9,Potassium metaborate,potassium metaborate,[K+].[O-]B=O,[K+].[O-]B=O,InChI=1/BO2.K/c2-1-3;/q-1;+1,BHO2.K,,,,,,JVUYWILPYBCNNG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.863,237-265-9,13715-19-0,Sodium dicyanocuprate,sodium bis(cyano-kappaC)cuprate(1-),[Na+].N#C[Cu-]C#N,[Na+].N#C[Cu-]C#N,InChI=1/2CN.Cu.Na/c2*1-2;;/q;;;+1/rC2CuN2.Na/c4-1-3-2-5;/q;+1,C2CuN2.Na,,,,,,UNFBXVPNDGPXKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.872,237-275-3,13718-34-8,Manganese dipotassium bis(sulphate),manganese dipotassium bis(sulphate),[K+].[K+].[Mn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[K+].[K+].[Mn+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2K.Mn.2H2O4S/c;;;2*1-5(2,3)4/h;;;2*(H2,1,2,3,4)/q2*+1;+2;;/p-4",H2O4S.K.1/2Mg,,,,,,IBMZVIXWBZLKIR-UHFFFAOYSA-J,,,,,,,,,,,
100.035.380,238-934-8,14866-25-2,Iron dipicrate,"iron(2+) bis(2,4,6-trinitrophenolate)",[Fe+2].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Fe+2].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/2C6H3N3O7.Fe/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+2/p-2",C6H3N3O7.1/2Fe,,,,,,UVGBHHDZLVBFAS-UHFFFAOYSA-L,,,,,,,,,,,
100.035.381,238-935-3,14866-28-5,"1-(2,4-dichlorophenyl)ethane-1,2-diol","1-(2,4-dichlorophenyl)ethane-1,2-diol",OCC(O)c1ccc(Cl)cc1Cl,OCC(O)c1ccc(Cl)cc1Cl,"InChI=1/C8H8Cl2O2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,11-12H,4H2",C8H8Cl2O2,,,,,,HZAZETJSOZQUJL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.383,238-937-4,14866-34-3,Tetradodecylammonium bromide,"N,N,N-tridodecyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC,[Br-].CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/C48H100N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1",C48H100N.Br,,,,,,SMEFTBPJZGVAPK-UHFFFAOYSA-M,,,,,,,,,,,
100.055.364,260-920-5,57734-46-0,4-amino-5-methylaminosulphonyl-o-anisic acid,4-amino-2-methoxy-5-(methylsulfamoyl)benzoic acid,CNS(=O)(=O)c1cc(C(=O)O)c(OC)cc1N,CNS(=O)(=O)c1cc(C(=O)O)c(OC)cc1N,"InChI=1/C9H12N2O5S/c1-11-17(14,15)8-3-5(9(12)13)7(16-2)4-6(8)10/h3-4,11H,10H2,1-2H3,(H,12,13)",C9H12N2O5S,,,,,,BNSPURHCZHGMCS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.370,260-926-8,57744-11-3,Icosyloxirane,2-icosyloxirane,CCCCCCCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCCCCCCC1CO1,"InChI=1/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21-23-22/h22H,2-21H2,1H3",C22H44O,,,,,,MDJCCLDIFSDFTH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.372,260-928-9,57754-81-1,Butyl 4-dimethylaminobenzoate,butyl 4-(dimethylamino)benzoate,CCCCOC(=O)c1ccc(cc1)N(C)C,CCCCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C13H19NO2/c1-4-5-10-16-13(15)11-6-8-12(9-7-11)14(2)3/h6-9H,4-5,10H2,1-3H3",C13H19NO2,,,,,,FOYJYXHISWUSDL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.373,260-929-4,57754-85-5,"3,6-dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)","3,6-dichloropyridine-2-carboxylic acid - 2-aminoethanol (1:1)",NCCO.OC(=O)c1nc(Cl)ccc1Cl,NCCO.OC(=O)c1nc(Cl)ccc1Cl,"InChI=1/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2",C6H3Cl2NO2.C2H7NO,,,,,,NQQBTWVFKDDVIB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.009,262-730-8,61354-93-6,"2-[(2,4-dinitrophenyl)methylene]-1-ethyl-1,2-dihydroquinoline","2-(2,4-dinitrobenzylidene)-1-ethyl-1,2-dihydroquinoline",[O-][N+](=O)c3ccc(C=C2\\C=C/c1ccccc1N2CC)c(c3)[N+]([O-])=O,[O-][N+](=O)c3ccc(C=C2\C=C/c1ccccc1N2CC)c(c3)[N+]([O-])=O,"InChI=1/C18H15N3O4/c1-2-19-15(9-7-13-5-3-4-6-17(13)19)11-14-8-10-16(20(22)23)12-18(14)21(24)25/h3-12H,2H2,1H3",C18H15N3O4,,,,,,XATSRGCAHHALNI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.010,262-731-3,61354-99-2,"2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide","2-(3-tert-butyl-4-hydroxyphenoxy)-N-(4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)tetradecanamide",CCCCCCCCCCCCC(Oc1ccc(O)c(c1)C(C)(C)C)C(=O)Nc2ccc(Cl)c(NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c2,CCCCCCCCCCCCC(Oc1ccc(O)c(c1)C(C)(C)C)C(=O)Nc2ccc(Cl)c(NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c2,"InChI=1/C39H48Cl4N4O4/c1-5-6-7-8-9-10-11-12-13-14-15-34(51-27-17-19-33(48)28(23-27)39(2,3)4)38(50)44-26-16-18-29(41)32(22-26)45-35-24-36(49)47(46-35)37-30(42)20-25(40)21-31(37)43/h16-23,34,48H,5-15,24H2,1-4H3,(H,44,50)(H,45,46)",C39H48Cl4N4O4,,,,,,JQADLJKVUIDLRH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.011,262-732-9,61355-92-8,Methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-({3-acetamido-4-[(4-nitrophenyl)diazenyl]phenyl}imino)dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(c2)NC(C)=O,COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(c2)NC(C)=O,"InChI=1/C22H25N5O7/c1-15(28)23-20-14-18(26(12-10-21(29)33-2)13-11-22(30)34-3)8-9-19(20)25-24-16-4-6-17(7-5-16)27(31)32/h4-9,14H,10-13H2,1-3H3,(H,23,28)",C22H25N5O7,,,,,,BYMNHMLASYXHRV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.014,262-736-0,61365-93-3,"1,1'-[(2-bromoethylidene)bis(oxy)]bispropane","1,1'-[(2-bromoethane-1,1-diyl)bis(oxy)]dipropane",CCCOC(CBr)OCCC,CCCOC(CBr)OCCC,"InChI=1/C8H17BrO2/c1-3-5-10-8(7-9)11-6-4-2/h8H,3-7H2,1-2H3",C8H17BrO2,,,,,,YZXXNXIKOGVZPP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.016,262-738-1,61370-09-0,"Formic acid, compound with N,N'-(iminodiethylene)bis[stearamide] (1:1)","formic acid - N,N'-(iminodiethane-2,1-diyl)dioctadecanamide (1:1)",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O,"InChI=1/C40H81N3O2.CH2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1-3/h41H,3-38H2,1-2H3,(H,42,44)(H,43,45);1H,(H,2,3)",C40H81N3O2.CH2O2,,,,,,VBKCOYHBITZRRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.895,264-805-0,64346-55-0,"2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]bisphenol","2,2'-[cyclohexane-1,2-diylbis(nitrilomethylylidene)]diphenol",Oc3ccccc3C=NC2CCCCC2N=Cc1ccccc1O,Oc3ccccc3C=NC2CCCCC2N=Cc1ccccc1O,"InChI=1/C20H22N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-14,17-18,23-24H,3-4,9-10H2",C20H22N2O2,,,,,,WCSLPBBQHFXWBW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.900,264-810-8,64346-65-2,"Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)[2-[(2-hydroxyethyl)[2-[(1-oxohexadecyl)oxy]ethyl]amino]ethyl]amino]ethyl]-2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]-N-methyl-, methyl sulfate (salt)",2-hydroxy-N-{2-[(2-hydroxyethyl)(2-{(2-hydroxyethyl)[2-(palmitoyloxy)ethyl]amino}ethyl)amino]ethyl}-N-{2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl}-N-methylethanaminium methyl sulfate,CCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C49H101N4O7.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-48(58)52(38-45-56)35-41-53(3,42-46-57)40-34-50(36-43-54)32-33-51(37-44-55)39-47-60-49(59)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h54-57H,4-47H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C49H101N4O7.CH3O4S,,,,,,YHHVHQUFMDUZAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.042.871,247-174-6,25666-60-8,Potassium cyclohexanecarboxylate,potassium cyclohexanecarboxylate,[K+].[O-]C(=O)C1CCCCC1,[K+].[O-]C(=O)C1CCCCC1,"InChI=1/C7H12O2.K/c8-7(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);/q;+1/p-1",C7H12O2.K,,,,,,VFLADTURPGNKHV-UHFFFAOYSA-M,,,,,,,,,,,
100.038.504,242-370-8,18481-23-7,"Dithiobis[3-[1-[[(4-amino-2-methylpyrimidin-5-yl)methyl]formylamino]ethylidene]propane-3,1-diyl] dibutyrate","disulfanediylbis-2-{[(4-amino-2-methylpyrimidin-5-yl)acetyl]amino}pent-2-ene-3,5-diyl dibutanoate",CCCC(=O)OCCC(=C(C)NC(=O)Cc1cnc(C)nc1N)SSC(=C(C)NC(=O)Cc2cnc(C)nc2N)CCOC(=O)CCC,CCCC(=O)OCCC(=C(C)NC(=O)Cc1cnc(C)nc1N)SSC(=C(C)NC(=O)Cc2cnc(C)nc2N)CCOC(=O)CCC,"InChI=1/C32H46N8O6S2/c1-7-9-29(43)45-13-11-25(19(3)37-27(41)15-23-17-35-21(5)39-31(23)33)47-48-26(12-14-46-30(44)10-8-2)20(4)38-28(42)16-24-18-36-22(6)40-32(24)34/h17-18H,7-16H2,1-6H3,(H,37,41)(H,38,42)(H2,33,35,39)(H2,34,36,40)",C32H46N8O6S2,,,,,,LXWNASBXWRCQRD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.230,235-466-6,12237-01-3,"Trisodium 7-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-[{4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc2nc(Nc1ccc(cc1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc2nc(Nc1ccc(cc1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C27H22ClN7O11S3.3Na/c1-35(27-31-25(28)30-26(32-27)29-15-3-7-18(8-4-15)47(37,38)39)16-5-9-19-14(11-16)12-22(49(43,44)45)23(24(19)36)34-33-20-10-6-17(46-2)13-21(20)48(40,41)42;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",C27H22ClN7O11S3.3Na,,,,,,YFIWOVRNIAJHTA-UHFFFAOYSA-K,,,,,,,,,,,
100.032.247,235-484-4,12251-19-3,Aluminium barium silicate(2:1:2),aluminium barium silicate(2:1:2),[AlH3].[AlH3].[Ba].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[AlH3].[AlH3].[Ba].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Al.Ba.2O3Si.6H/c;;;2*1-4(2)3;;;;;;/q2*+3;+2;2*-2;;;;;;/r2AlH3.Ba.2O3Si/c;;;2*1-4(2)3/h2*1H3;;;/q2*+3;+2;2*-2,Al.1/2Ba.H4O4Si,,,,,,KCQBPECEEUJMGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.552,234-721-9,12027-61-1,Dipotassium tin hexahydroxide,dipotassium tin hexahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[K+].[K+].[Sn+4],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[K+].[K+].[Sn+4],InChI=1/2K.6H2O.Sn/h;;6*1H2;/q2*+1;;;;;;;+4/p-6,H6O6Sn.2K,,,,,,ZUFKAIWKUPVIAM-UHFFFAOYSA-H,,,,,,,,,,,
100.035.193,238-728-8,14686-14-7,(E)-hept-3-ene,hept-3-ene,CCC\\C=C\\CC,CCC\C=C\CC,"InChI=1/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3",C7H14,,,,,,WZHKDGJSXCTSCK-FNORWQNLSA-N,,,,,,,,,,,
100.035.205,238-741-9,14693-67-5,Pentaammonium triphosphate,pentaammonium triphosphate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/5H3N.3H3O4P/c;;;;;3*1-5(2,3)4/h5*1H3;3*(H3,1,2,3,4)/p-4",H5O10P3.5H3N,,,,,,JTRWQUJFHDTYAH-UHFFFAOYSA-J,,,,,,,,,,,
100.035.208,238-745-0,14696-66-3,Tetraaluminium tris(pyrophosphate),tetraaluminium tris(pyrophosphate),[Al+3].[Al+3].[Al+3].[Al+3].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Al+3].[Al+3].[Al+3].[Al+3].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/4Al.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12",Al.3/4H4O7P2,,,,,,XGFPOHQJFNFBKA-UHFFFAOYSA-B,,,,,,,,,,,
100.035.211,238-748-7,14697-48-4,Diheptyl adipate,diheptyl adipate,CCCCCCCOC(=O)CCCCC(=O)OCCCCCCC,CCCCCCCOC(=O)CCCCC(=O)OCCCCCCC,"InChI=1/C20H38O4/c1-3-5-7-9-13-17-23-19(21)15-11-12-16-20(22)24-18-14-10-8-6-4-2/h3-18H2,1-2H3",C20H38O4,,,,,,SITULKFUBJXOJH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.212,238-749-2,14697-50-8,"2,2'-oxybis[4,4,6-trimethyl-1,3,2-dioxaborinane]","2,2'-oxybis(4,4,6-trimethyl-1,3,2-dioxaborinane)",CC1CC(C)(C)OB(OB2OC(C)CC(C)(C)O2)O1,CC1CC(C)(C)OB(OB2OC(C)CC(C)(C)O2)O1,"InChI=1/C12H24B2O5/c1-9-7-11(3,4)17-13(15-9)19-14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3",C12H24B2O5,,,,,,KUZYYSNLEIAJQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.213,238-750-8,14698-29-4,Oxolinic acid,"5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12,CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12,"InChI=1/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)",C13H11NO5,,,,,,KYGZCKSPAKDVKC-UHFFFAOYSA-N,Positive,mzcloud:2467,[M+H]+,HCD_Averaged,244.06043:234.0397:214.0135:186.01855:172.03928:160.03933:133.02839:114.0338:95.0491:75.0229:74.0151:65.03858:63.02293:50.01510,HighChem,,,,,
100.035.240,238-780-1,14727-47-0,"(1a,3aß,4a,8aß,9S*)-octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-2(1H)-one","4,8,8,9-tetramethyloctahydro-1,4-methanoazulen-2(1H)-one",CC1[C@H]2[C@@H]3[C@H](CC2=O)[C@@]1(C)CCCC3(C)C,CC1[C@H]2[C@@H]3[C@H](CC2=O)[C@@]1(C)CCCC3(C)C,"InChI=1/C15H24O/c1-9-12-11(16)8-10-13(12)14(2,3)6-5-7-15(9,10)4/h9-10,12-13H,5-8H2,1-4H3",C15H24O,,,,,,XROGGPRBZBLTOH-PWANUCGVSA-N,,,,,,,,,,,
100.038.506,242-372-9,18485-38-6,"(2E,4E)-dodeca-2,4-dienol","dodeca-2,4-dien-1-ol",CCCCCCC\\C=C\\C=C\\CO,CCCCCCC\C=C\C=C\CO,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-11,13H,2-7,12H2,1H3",C12H22O,,,,,,RZDDYVXRTNDWOD-BNFZFUHLSA-N,,,,,,,,,,,
100.032.617,235-894-3,13031-43-1,p-acetylphenyl acetate,4-acetylphenyl acetate,CC(=O)Oc1ccc(cc1)C(=O)C,CC(=O)Oc1ccc(cc1)C(=O)C,"InChI=1/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3",C10H10O3,,,,,,SMIOEQSLJNNKQF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.622,235-900-4,13036-19-6,4-[(4-methoxybenzylidene)amino]benzonitrile,4-[(4-methoxybenzylidene)amino]benzonitrile,COc2ccc(C=Nc1ccc(C#N)cc1)cc2,COc2ccc(C=Nc1ccc(C#N)cc1)cc2,"InChI=1/C15H12N2O/c1-18-15-8-4-13(5-9-15)11-17-14-6-2-12(10-16)3-7-14/h2-9,11H,1H3",C15H12N2O,,,,,,SZTAFPBCQLNZQR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.624,235-903-0,13036-75-4,Disulphur fluoride pentaoxide,disulfuryl difluoride,FS(=O)(=O)OS(=O)(=O)F,FS(=O)(=O)OS(=O)(=O)F,"InChI=1/F2O5S2/c1-8(3,4)7-9(2,5)6",F2O5S2,,,,,,WICQXESQFGXSKV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.128,237-556-0,13839-15-1,1-(2-mercaptoethyl)pyrrolidin-2-one,1-(2-sulfanylethyl)pyrrolidin-2-one,SCCN1CCCC1=O,SCCN1CCCC1=O,"InChI=1/C6H11NOS/c8-6-2-1-3-7(6)4-5-9/h9H,1-5H2",C6H11NOS,,,,,,JBODMFWMIWWZSF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.145,237-574-9,13845-36-8,Pentapotassium triphosphate,pentapotassium triphosphate,[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/5K.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q5*+1;;;/p-9",H5O10P3.5K,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14408,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.145,PZQZNARKIGYBGK-UHFFFAOYSA-E,,,,,,,,,,,
100.034.149,237-579-6,13846-22-5,"1,1,2,2,3,3-hexafluoro-1,3-bis[(trifluorovinyl)oxy]propane","1,1,2,2,3,3-hexafluoro-1,3-bis[(trifluorovinyl)oxy]propane",FC(=C(F)OC(F)(F)C(F)(F)C(F)(F)OC(=C(F)F)F)F,FC(=C(F)OC(F)(F)C(F)(F)C(F)(F)OC(=C(F)F)F)F,"InChI=1/C7F12O2/c8-1(9)3(12)20-6(16,17)5(14,15)7(18,19)21-4(13)2(10)11",C7F12O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16430,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.149,KGJWCQOEERZJMB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.150,237-580-1,13846-31-6,Diallyl hexahydrophthalate,"diallyl cyclohexane-1,2-dicarboxylate",C=CCOC(=O)C1CCCCC1C(=O)OCC=C,C=CCOC(=O)C1CCCCC1C(=O)OCC=C,"InChI=1/C14H20O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-4,11-12H,1-2,5-10H2",C14H20O4,,,,,,HEBKPAWCVUSXMB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.965,239-578-6,15534-05-1,Pipratecol,"4-{1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzene-1,2-diol",COc1ccccc1N2CCN(CC(O)c3ccc(O)c(O)c3)CC2,COc1ccccc1N2CCN(CC(O)c3ccc(O)c(O)c3)CC2,"InChI=1/C19H24N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,18,22-24H,8-11,13H2,1H3",C19H24N2O4,,,,,,QESTYTNSJJTQCI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.967,239-580-7,15535-29-2,Bis[(2-hydroxyethyl)ammonium] sulphite,bis(2-hydroxyethanaminium) sulfite,[NH3+]CCO.[NH3+]CCO.[O-]S(=O)[O-],[NH3+]CCO.[NH3+]CCO.[O-]S(=O)[O-],"InChI=1/2C2H7NO.H2O3S/c2*3-1-2-4;1-4(2)3/h2*4H,1-3H2;(H2,1,2,3)",C2H7NO.1/2H2O3S,,,,,,HNTMLDKCDXWPJV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.969,239-582-8,15535-96-3,"4,4'-iminodibenzamidine","4,4'-iminodibenzenecarboximidamide",NC(=N)c1ccc(Nc2ccc(cc2)C(=N)N)cc1,NC(=N)c1ccc(Nc2ccc(cc2)C(=N)N)cc1,"InChI=1/C14H15N5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8,19H,(H3,15,16)(H3,17,18)",C14H15N5,,,,,,OOSANNOCGQRXSP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.972,239-585-4,15537-71-0,N-acetyl-3-dimethyl-DL-cysteine,N-acetyl-3-sulfanylvaline,CC(=O)NC(C(=O)O)C(C)(C)S,CC(=O)NC(C(=O)O)C(C)(C)S,"InChI=1/C7H13NO3S/c1-4(9)8-5(6(10)11)7(2,3)12/h5,12H,1-3H3,(H,8,9)(H,10,11)",C7H13NO3S,,,,,,MNNBCKASUFBXCO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.978,239-592-2,15545-48-9,Chlorotoluron,"3-(3-chloro-4-methylphenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1ccc(C)c(Cl)c1,CN(C)C(=O)Nc1ccc(C)c(Cl)c1,"InChI=1/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)",C10H13ClN2O,,,,,,JXCGFZXSOMJFOA-UHFFFAOYSA-N,Positive,SM838201;EA027301|EA027302|EA027303|EA027304|EA027305|EA027306|EA027307|EA027308|EA027309|EA027310|EA027311|EA027312|EA027313|EA027314;UF400701|UF400702|UF400703|UF400704,[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,72.0444:213.0789:140.0261;72.0444:168.0213|213.0791:72.0443|213.0793:72.0445:168.0209|72.0444:213.0783:168.021|72.0445:140.0263:168.0211|72.0444:140.0261:125.0151|72.0444:140.0261:125.0152|213.0791:72.0443|213.0791:72.0444:168.0211|72.0444:213.0788:168.0211|72.0444:140.0261:168.021|72.0445:140.0262:125.0153|72.0444:140.0262:125.0152|72.0444:213.0786:168.0212;72.0442:140.0261:168.0209|72.0442:140.0261:125.0152|72.0442:213.0786:168.0209|72.0442:168.021,CASMI_2016;Eawag;UFZ,,,,,
100.035.983,239-598-5,15546-42-6,Tetramethylenebis[triphenylphosphonium] dibromide,"butane-1,4-diylbis(triphenylphosphonium) dibromide",[Br-].[Br-].C(CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6,[Br-].[Br-].C(CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/C40H38P2.2BrH/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-18,21-32H,19-20,33-34H2;2*1H/q+2;;/p-2",C40H38P2.2Br,,,,,,WTFXVDWCEPLDDY-UHFFFAOYSA-L,,,,,,,,,,,
100.035.986,239-602-5,15547-89-4,2-(3-methoxyphenyl)cyclohexanone,2-(3-methoxyphenyl)cyclohexanone,COc1cccc(c1)C2CCCCC2=O,COc1cccc(c1)C2CCCCC2=O,"InChI=1/C13H16O2/c1-15-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14/h4-6,9,12H,2-3,7-8H2,1H3",C13H16O2,,,,,,KACQSVYTBQDRGP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.993,239-609-3,15557-00-3,3-chloro-4-(diethylamino)benzenediazonium trichlorozincate,3-chloro-4-(diethylamino)benzenediazonium trichlorozincate(1-),CCN(CC)c1ccc(cc1Cl)[N+]#N.Cl[Zn-](Cl)Cl,CCN(CC)c1ccc(cc1Cl)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C10H13ClN3.3ClH.Zn/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;;;;/h5-7H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC10H13ClN3.Cl3Zn/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;1-4(2)3/h5-7H,3-4H2,1-2H3;/q+1;-1",C10H13ClN3.Cl3Zn,,,,,,AGBQXXKKTAAFSL-UHFFFAOYSA-K,,,,,,,,,,,
100.035.385,238-940-0,14868-03-2,"4,4'-(dichlorovinylidene)diphenol","4,4'-(2,2-dichloroethene-1,1-diyl)diphenol",Oc1ccc(cc1)C(=C(Cl)Cl)c2ccc(O)cc2,Oc1ccc(cc1)C(=C(Cl)Cl)c2ccc(O)cc2,"InChI=1/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H",C14H10Cl2O2,,,,,,OWEYKIWAZBBXJK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.387,238-942-1,14871-79-5,Barium phosphinate,barium bis(phosphinate),[Ba+2].[O-]P=O.[O-]P=O,[Ba+2].[O-]P=O.[O-]P=O,"InChI=1/Ba.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",Ba.2H3O2P,,,,,,OWESJVSXFRLVFC-UHFFFAOYSA-L,,,,,,,,,,,
100.035.401,238-957-3,14885-29-1,Ipronidazole,2-isopropyl-1-methyl-5-nitro-1H-imidazole,CC(C)c1ncc([N+](=O)[O-])n1C,CC(C)c1ncc([N+](=O)[O-])n1C,"InChI=1/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3",C7H11N3O2,,,,,,NTAFJUSDNOSFFY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.403,238-959-4,14886-22-7,"1-(3,3,5-trimethylcyclohexyl)ethan-1-one","1-(3,3,5-trimethylcyclohexyl)ethanone",CC1CC(CC(C)(C)C1)C(=O)C,CC1CC(CC(C)(C)C1)C(=O)C,"InChI=1/C11H20O/c1-8-5-10(9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3",C11H20O,,,,,,ALVCXKYZMQCATP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.960,240-672-4,16623-47-5,"4-[(2,4-dihydroxyphenyl)azo]-3-hydroxynaphthalene-1-sulphonic acid","4-[(2,4-dihydroxyphenyl)diazenyl]-3-hydroxynaphthalene-1-sulfonic acid",Oc3cc(O)ccc3N=Nc2c1ccccc1c(cc2O)S(O)(=O)=O,Oc3cc(O)ccc3N=Nc2c1ccccc1c(cc2O)S(O)(=O)=O,"InChI=1/C16H12N2O6S/c19-9-5-6-12(13(20)7-9)17-18-16-11-4-2-1-3-10(11)15(8-14(16)21)25(22,23)24/h1-8,19-21H,(H,22,23,24)",C16H12N2O6S,,,,,,JQBUVPRAKRZKRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.962,240-675-0,16625-69-7,"5,6,6a,7-tetrahydro-2,9-dihydroxy-1,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinolinium chloride","2,9-dihydroxy-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium chloride",[Cl-].COc1cc2c(CC3[NH+](C)CCc4cc(O)c(OC)c2c34)cc1O,[Cl-].COc1cc2c(CC3[NH+](C)CCc4cc(O)c(OC)c2c34)cc1O,"InChI=1/C19H21NO4.ClH/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18;/h7-9,13,21-22H,4-6H2,1-3H3;1H",C19H21NO4.ClH,,,,,,MUGNKMCHLPQCMV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.967,240-680-8,16630-60-7,3-(methylthio)propyl butyrate,3-(methylsulfanyl)propyl butyrate,CCCC(=O)OCCCSC,CCCC(=O)OCCCSC,"InChI=1/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3",C8H16O2S,,,,,,HSCZLQOPSGMKTK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.979,240-693-9,16647-10-2,"6,10,14-trimethylpentadeca-4,5-dien-2-one","6,10,14-trimethylpentadeca-4,5-dien-2-one",CC(C)CCCC(C)CCCC(=C=CCC(=O)C)C,CC(C)CCCC(C)CCCC(=C=CCC(=O)C)C,"InChI=1/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h8,15-16H,6-7,9-12,14H2,1-5H3",C18H32O,,,,,,KOEOXTZSYDFLAC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.984,240-699-1,16652-64-5,O-benzyl-L-tyrosine,O-benzyltyrosine,N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O,N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O,"InChI=1/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)",C16H17NO3,,,,,,KAFHLONDOVSENM-HNNXBMFYSA-N,,,,,,,,,,,
100.036.985,240-700-5,16652-71-4,Benzyl L-prolinate hydrochloride,benzyl L-prolinate hydrochloride,Cl.O=C(OCc1ccccc1)[C@@H]2CCCN2,Cl.O=C(OCc1ccccc1)[C@@H]2CCCN2,"InChI=1/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H",C12H15NO2.ClH,,,,,,NEDMOHHWRPHBAL-MERQFXBCSA-N,,,,,,,,,,,
100.036.986,240-701-0,16652-75-8,O-benzyl-L-isoleucine toluene-p-sulphonate,benzyl L-isoleucinate 4-methylbenzenesulfonate,CCC(C)[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,CCC(C)[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,"InChI=1/C13H19NO2.C7H8O3S/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10,12H,3,9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)",C13H19NO2.C7H8O3S,,,,,,XAWVXTVKSVYPNE-RLVDVTLISA-N,,,,,,,,,,,
100.036.987,240-702-6,16652-76-9,O-benzyl-L-valine toluene-p-sulphonate,benzyl L-valinate 4-methylbenzenesulfonate,CC(C)[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,CC(C)[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,"InChI=1/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)",C12H17NO2.C7H8O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13219,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.987,QWUQVUDPBXFOKF-MERQFXBCSA-N,,,,,,,,,,,
100.036.988,240-703-1,16659-50-0,"Calcium 1,4-didecyl bis(2-sulphosuccinate)","calcium bis[1,4-bis(decyloxy)-1,4-dioxobutane-2-sulfonate]",CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)O[Ca]OS(=O)(=O)C(CC(=O)OCCCCCCCCCC)C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)O[Ca]OS(=O)(=O)C(CC(=O)OCCCCCCCCCC)C(=O)OCCCCCCCCCC,"InChI=1/2C24H46O7S.Ca/c2*1-3-5-7-9-11-13-15-17-19-30-23(25)21-22(32(27,28)29)24(26)31-20-18-16-14-12-10-8-6-4-2;/h2*22H,3-21H2,1-2H3,(H,27,28,29);/q;;+2/p-2/rC48H90CaO14S2/c1-5-9-13-17-21-25-29-33-37-58-45(50)41-43(47(52)60-39-35-31-27-23-19-15-11-7-3)64(54,55)62-49-63-65(56,57)44(48(53)61-40-36-32-28-24-20-16-12-8-4)42-46(51)59-38-34-30-26-22-18-14-10-6-2/h43-44H,5-42H2,1-4H3",C24H46O7S.1/2Ca,,,,,,ULHRXIGKWVVDKR-UHFFFAOYSA-L,,,,,,,,,,,
100.036.991,240-706-8,16664-07-6,"1,1-dimethylcyclohexylmethanol",2-cyclohexylpropan-2-ol,CC(C)(O)C1CCCCC1,CC(C)(O)C1CCCCC1,"InChI=1/C9H18O/c1-9(2,10)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3",C9H18O,,,,,,SSZWOQANOUHNLV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.992,240-707-3,16664-33-8,Perhydro-9b-boraphenalene,dodecahydro-9b-boraphenalene,C1CC2CCCC3CCCC(C1)B23,C1CC2CCCC3CCCC(C1)B23,"InChI=1/C12H21B/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h10-12H,1-9H2",C12H21B,,,,,,SKOKKTJRHJQZHK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.902,264-812-9,64346-68-5,Triethyl[2-(ethylphenylamino)ethyl]ammonium chloride,"N,N,N-triethyl-2-[ethyl(phenyl)amino]ethanaminium chloride",[Cl-].CCN(CC[N+](CC)(CC)CC)c1ccccc1,[Cl-].CCN(CC[N+](CC)(CC)CC)c1ccccc1,"InChI=1/C16H29N2.ClH/c1-5-17(16-12-10-9-11-13-16)14-15-18(6-2,7-3)8-4;/h9-13H,5-8,14-15H2,1-4H3;1H/q+1;/p-1",C16H29N2.Cl,,,,,,RWPLMDVCLOGKGX-UHFFFAOYSA-M,,,,,,,,,,,
100.058.909,264-820-2,64346-99-2,"1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octatriacontenyl)pyrrolidine-2,5-dione","1-[2-({2-[(2-{[2-(2,5-dioxo-3-tetracont-1-en-1-ylpyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]-3-octatriacont-1-en-1-ylpyrrolidine-2,5-dione",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C94H179N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-90-88-92(101)99(94(90)103)86-84-97-82-80-95-79-81-96-83-85-98-91(100)87-89(93(98)102)77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h75-78,89-90,95-97H,3-74,79-88H2,1-2H3",C94H179N5O4,,,,,,HKNGFABQBJGTAI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.912,264-823-9,64347-05-3,"1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(tetracontenyl)pyrrolidine-2,5-dione]","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis(3-tetracont-1-en-1-ylpyrrolidine-2,5-dione)",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C96H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-91-89-93(102)100(95(91)104)87-85-98-83-81-97-82-84-99-86-88-101-94(103)90-92(96(101)105)80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h77-80,91-92,97-99H,3-76,81-90H2,1-2H3",C96H183N5O4,,,,,,APRDEJOMQSIOPN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.913,264-824-4,64347-07-5,"1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(dotetracontenyl)pyrrolidine-2,5-dione]","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis(3-dotetracont-1-en-1-ylpyrrolidine-2,5-dione)",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C100H191N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-95-93-97(106)104(99(95)108)91-89-102-87-85-101-86-88-103-90-92-105-98(107)94-96(100(105)109)84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h81-84,95-96,101-103H,3-80,85-94H2,1-2H3",C100H191N5O4,,,,,,MXKFBBTYWLHLFG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.917,264-829-1,64347-15-5,3-(tetracosenyl)succinic anhydride,"3-tetracos-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C28H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-25-27(29)31-28(26)30/h23-24,26H,2-22,25H2,1H3",C28H50O3,,,,,,PBEZIOVQZJRKCA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.825,268-027-2,67990-04-9,"4,7,10,13-tetraazahexadecanedinitrile","4,7,10,13-tetraazahexadecane-1,16-dinitrile",N#CCCNCCNCCNCCNCCC#N,N#CCCNCCNCCNCCNCCC#N,"InChI=1/C12H24N6/c13-3-1-5-15-7-9-17-11-12-18-10-8-16-6-2-4-14/h15-18H,1-2,5-12H2",C12H24N6,,,,,,LZRSZAAWHRMGRR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.830,268-033-5,67990-09-4,3-amino-4-(tetradecyloxy)benzenesulphonic acid,3-amino-4-(tetradecyloxy)benzenesulfonic acid,CCCCCCCCCCCCCCOc1ccc(cc1N)S(=O)(=O)O,CCCCCCCCCCCCCCOc1ccc(cc1N)S(=O)(=O)O,"InChI=1/C20H35NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25-20-15-14-18(17-19(20)21)26(22,23)24/h14-15,17H,2-13,16,21H2,1H3,(H,22,23,24)",C20H35NO4S,,,,,,MFFSQRHEURWEHI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.831,268-034-0,67990-10-7,N-[2-(tetradecyloxy)phenyl]acetamide,N-[2-(tetradecyloxy)phenyl]acetamide,CCCCCCCCCCCCCCOc1ccccc1NC(=O)C,CCCCCCCCCCCCCCOc1ccccc1NC(=O)C,"InChI=1/C22H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-25-22-18-15-14-17-21(22)23-20(2)24/h14-15,17-18H,3-13,16,19H2,1-2H3,(H,23,24)",C22H37NO2,,,,,,KRMVKLLDHVNWEK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.832,268-035-6,67990-11-8,"3-ethyl-5,6-dimethyl-2-[2-(phenylamino)vinyl]benzoxazolium iodide","2-(2-anilinovinyl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]1c(oc2cc(C)c(C)cc12)\\C=C\\Nc3ccccc3,[I-].CC[n+]1c(oc2cc(C)c(C)cc12)\C=C\Nc3ccccc3,"InChI=1/C19H20N2O.HI/c1-4-21-17-12-14(2)15(3)13-18(17)22-19(21)10-11-20-16-8-6-5-7-9-16;/h5-13H,4H2,1-3H3;1H",C19H21N2O.I,,,,,,ZQOJNJPQLBYVTD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.833,268-036-1,67990-12-9,"3-[(2-amino-4,5-dichlorophenyl)amino]propan-1-ol","3-[(2-amino-4,5-dichlorophenyl)amino]propan-1-ol",Nc1cc(Cl)c(Cl)cc1NCCCO,Nc1cc(Cl)c(Cl)cc1NCCCO,"InChI=1/C9H12Cl2N2O/c10-6-4-8(12)9(5-7(6)11)13-2-1-3-14/h4-5,13-14H,1-3,12H2",C9H12Cl2N2O,,,,,,NOEDYYVBOOXTSI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.837,268-040-3,67990-17-4,Sodium (2-butoxyethoxy)acetate,sodium (2-butoxyethoxy)acetate,[Na+].CCCCOCCOCC(=O)[O-],[Na+].CCCCOCCOCC(=O)[O-],"InChI=1/C8H16O4.Na/c1-2-3-4-11-5-6-12-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",C8H16O4.Na,,,,,,JOWTZKYGHSPYKA-UHFFFAOYSA-M,,,,,,,,,,,
100.038.509,242-376-0,18492-65-4,"(Z)-7,7-diethoxyhept-3-ene","7,7-diethoxyhept-3-ene",CCOC(CC\\C=C/CC)OCC,CCOC(CC\C=C/CC)OCC,"InChI=1/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3",C11H22O2,,,,,,BOALWZNGHWYCRG-FPLPWBNLSA-N,,,,,,,,,,,
100.038.510,242-377-6,18493-30-6,Metochalcone,"1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one",COc2cc(ccc2C(=O)C=Cc1ccc(OC)cc1)OC,COc2cc(ccc2C(=O)C=Cc1ccc(OC)cc1)OC,"InChI=1/C18H18O4/c1-20-14-7-4-13(5-8-14)6-11-17(19)16-10-9-15(21-2)12-18(16)22-3/h4-12H,1-3H3",C18H18O4,,,,,,HVAKUYCEWDPRCA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.511,242-378-1,18493-34-0,"2,4,4'-trimethoxychalcone","3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one",COc1ccc(cc1)C(=O)\\C=C\\c2ccc(OC)cc2OC,COc1ccc(cc1)C(=O)\C=C\c2ccc(OC)cc2OC,"InChI=1/C18H18O4/c1-20-15-8-4-13(5-9-15)17(19)11-7-14-6-10-16(21-2)12-18(14)22-3/h4-12H,1-3H3",C18H18O4,,,,,,QASJJCFLWLUQLE-YRNVUSSQSA-N,,,,,,,,,,,
100.038.512,242-379-7,18495-30-2,"1,1,2,3-tetrachloropropane","1,1,2,3-tetrachloropropane",ClCC(Cl)C(Cl)Cl,ClCC(Cl)C(Cl)Cl,"InChI=1/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2",C3H4Cl4,,,,,,BUQMVYQMVLAYRU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.516,242-383-9,18496-40-7,Platinum dinitrate,platinum(2+) dinitrate,[Pt+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Pt+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2NO3.Pt/c2*2-1(3)4;/q2*-1;+2,HNO3.1/2Pt,,,,,,NWAHZABTSDUXMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.524,242-392-8,18515-14-5,Alpha-chloro-3-methyl-4-nitrotoluene,4-(chloromethyl)-2-methyl-1-nitrobenzene,Cc1cc(CCl)ccc1[N+](=O)[O-],Cc1cc(CCl)ccc1[N+](=O)[O-],"InChI=1/C8H8ClNO2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,5H2,1H3",C8H8ClNO2,,,,,,DLYHOEXVOPOBAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.529,242-398-0,18524-94-2,"Methyl [1S-(1a,4aa,6a,7a,7aa)]-1-(ß-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylate","methyl 1-(hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(O)CC13,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(O)CC13,"InChI=1/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3",C17H26O10,,,,,,AMBQHHVBBHTQBF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.532,242-402-0,18526-07-3,3-(dimethylamino)propyl acrylate,3-(dimethylamino)propyl acrylate,CN(C)CCCOC(=O)C=C,CN(C)CCCOC(=O)C=C,"InChI=1/C8H15NO2/c1-4-8(10)11-7-5-6-9(2)3/h4H,1,5-7H2,2-3H3",C8H15NO2,,,,,,UFQHFMGRRVQFNA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.547,242-418-8,18547-30-3,"2,2,7,7,9,9,14,14-octamethyl-3,8,13-trioxa-2,7,9,14-tetrasilapentadecane","2,2,7,7,9,9,14,14-octamethyl-3,8,13-trioxa-2,7,9,14-tetrasilapentadecane",C[Si](C)(C)OCCC[Si](C)(C)O[Si](C)(C)CCCO[Si](C)(C)C,C[Si](C)(C)OCCC[Si](C)(C)O[Si](C)(C)CCCO[Si](C)(C)C,"InChI=1/C16H42O3Si4/c1-20(2,3)17-13-11-15-22(7,8)19-23(9,10)16-12-14-18-21(4,5)6/h11-16H2,1-10H3",C16H42O3Si4,,,,,,DMXGWDSHFINJOU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.753,237-144-0,13663-23-5,Hexahydro-1-(4-nitrophenyl)-1H-azepine,1-(4-nitrophenyl)azepane,[O-][N+](=O)c1ccc(cc1)N2CCCCCC2,[O-][N+](=O)c1ccc(cc1)N2CCCCCC2,"InChI=1/C12H16N2O2/c15-14(16)12-7-5-11(6-8-12)13-9-3-1-2-4-10-13/h5-8H,1-4,9-10H2",C12H16N2O2,,,,,,WXAAQKMTSQDMII-UHFFFAOYSA-N,,,,,,,,,,,
100.033.760,237-151-9,13670-99-0,"1-(2,6-difluorophenyl)ethan-1-one","1-(2,6-difluorophenyl)ethanone",CC(=O)c1c(F)cccc1F,CC(=O)c1c(F)cccc1F,"InChI=1/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3",C8H6F2O,,,,,,VGIIILXIQLXVLC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.768,237-160-8,13675-34-8,"1,5-pentanediyl bismethacrylate","pentane-1,5-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCCCCOC(=O)C(=C)C,CC(=C)C(=O)OCCCCCOC(=O)C(=C)C,"InChI=1/C13H20O4/c1-10(2)12(14)16-8-6-5-7-9-17-13(15)11(3)4/h1,3,5-9H2,2,4H3",C13H20O4,,,,,,WNGDGLDJIWDQAB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.775,237-168-1,13677-79-7,"3,4,5-trihydroxybenzaldehyde","3,4,5-trihydroxybenzaldehyde",Oc1cc(C=O)cc(O)c1O,Oc1cc(C=O)cc(O)c1O,"InChI=1/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H",C7H6O4,,,,,,RGZHEOWNTDJLAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.777,237-170-2,13678-59-6,2-methyl-5-(methylthio)furan,2-methyl-5-(methylsulfanyl)furan,CSc1oc(C)cc1,CSc1oc(C)cc1,"InChI=1/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3",C6H8OS,,,,,,RESBOJMQOGJOMW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.787,237-181-2,13679-74-8,1-(5-methyl-2-thienyl)ethan-1-one,1-(5-methyl-2-thienyl)ethanone,CC(=O)c1ccc(C)s1,CC(=O)c1ccc(C)s1,"InChI=1/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3",C7H8OS,,,,,,YOSDTJYMDAEEAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.792,237-187-5,13682-32-1,5-methyl-2-phenyl-1H-imidazole-4-methanol,(4-methyl-2-phenyl-1H-imidazol-5-yl)methanol,Cc1nc([nH]c1CO)c2ccccc2,Cc1nc([nH]c1CO)c2ccccc2,"InChI=1/C11H12N2O/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,12,13)",C11H12N2O,,,,,,RUEBPOOTFCZRBC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.795,237-190-1,13682-61-6,Potassium tetrachloroaurate,potassium tetrachloroaurate(1-),[K+].Cl[Au-](Cl)(Cl)Cl,[K+].Cl[Au-](Cl)(Cl)Cl,"InChI=1/Au.4ClH.K/h;4*1H;/q+3;;;;;+1/p-4/rAuCl4.K/c2-1(3,4)5;/q-1;+1",AuCl4.K,,,,,,JMONCQYBAMKVQQ-UHFFFAOYSA-J,,,,,,,,,,,
100.035.997,239-614-0,15566-80-0,(Z)-N-[2-[(2-aminoethyl)amino]ethyl]-9-octadecenamide,N-{2-[(2-aminoethyl)amino]ethyl}octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNCCN,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCCN,"InChI=1/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h9-10,24H,2-8,11-21,23H2,1H3,(H,25,26)",C22H45N3O,,,,,,FUJIFZPMNJHIDG-KTKRTIGZSA-N,,,,,,,,,,,
100.037.127,240-856-4,16833-52-6,"5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetrone, monobarium salt",-,[Ba+2].OC1=C(O)C(=O)C(=O)C(=O)C1=O,[Ba+2].OC1=C(O)C(=O)C(=O)C(=O)C1=O,InChI=1/C6H2O6.Ba/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h7-8H;/q;+2,C6H2O6.Ba,,,,,,CUQKYFXHLIXQIV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.980,236-293-9,13283-01-7,Tungsten hexachloride,tungsten hexachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[W+2].[W+2].[W+2],[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[W+2].[W+2].[W+2],InChI=1/6ClH.3W/h6*1H;;;/q;;;;;;3*+2/p-6,Cl6W,,,,,,IHZJZUWBRYPYFX-UHFFFAOYSA-H,,,,,,,,,,,
100.032.981,236-294-4,13283-44-8,"1-isopropyl-2,2-dimethylpropane-1,3-diyl bismethacrylate","2,2,4-trimethylpentane-1,3-diyl bis(2-methylacrylate)",CC(C)C(OC(=O)C(=C)C)C(C)(C)COC(=O)C(=C)C,CC(C)C(OC(=O)C(=C)C)C(C)(C)COC(=O)C(=C)C,"InChI=1/C16H26O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10,13H,3,5,9H2,1-2,4,6-8H3",C16H26O4,,,,,,TVGGFVNRRGKACD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.982,236-296-5,13283-68-6,Bismuth(3+) stearate,bismuth(3+) trioctadecanoate,[BiH3+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[BiH3+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O2.Bi.3H/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h3*2-17H2,1H3,(H,19,20);;;;/q;;;+3;;;/p-3/r3C18H36O2.BiH3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);1H3/q;;;+3/p-3",C18H36O2.1/3Bi,,,,,,UJLZCUXXZXSZQG-UHFFFAOYSA-K,,,,,,,,,,,
100.032.984,236-298-6,13285-40-0,2-[[(heptadecafluorooctyl)sulphonyl]propylamino]ethyl methacrylate,2-{[(heptadecafluorooctyl)sulfonyl](propyl)amino}ethyl methacrylate,CCCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C17H16F17NO4S/c1-4-5-35(6-7-39-9(36)8(2)3)40(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h2,4-7H2,1,3H3",C17H16F17NO4S,,,,,,XBWYIWRSPVIPCH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.505,237-971-7,14117-96-5,Dioctadecyl phthalate,dioctadecyl phthalate,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C44H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-47-43(45)41-37-33-34-38-42(41)44(46)48-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32,35-36,39-40H2,1-2H3",C44H78O4,,,,,,MQKMBXOZOISLIV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.508,237-974-3,14121-47-2,"2-(3-methoxypropyl)-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione","2-(3-methoxypropyl)-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione",COCCCN1C(=O)c2ccc3Sc4ccccc4c5ccc(C1=O)c2c35,COCCCN1C(=O)c2ccc3Sc4ccccc4c5ccc(C1=O)c2c35,"InChI=1/C22H17NO3S/c1-26-12-4-11-23-21(24)15-8-7-14-13-5-2-3-6-17(13)27-18-10-9-16(22(23)25)19(15)20(14)18/h2-3,5-10H,4,11-12H2,1H3",C22H17NO3S,,,,,,GIEARNNTYXJWQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.514,237-981-1,14128-95-1,"Bis(1-phenylbutane-1,3-dionato-O,O')cobalt",cobalt(2+) bis(4-oxo-4-phenylbut-2-en-2-olate),CC(=CC(=O)c1ccccc1)O[Co]OC(=CC(=O)c2ccccc2)C,CC(=CC(=O)c1ccccc1)O[Co]OC(=CC(=O)c2ccccc2)C,"InChI=1/2C10H10O2.Co/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*2-7,11H,1H3;/q;;+2/p-2",C20H18CoO4,,,,,,JEMVMUWUMZLULL-UHFFFAOYSA-L,,,,,,,,,,,
100.034.518,237-985-3,14133-72-3,"(R*,S*)-9-acetoxy-10-hydroxyoctadecanoic acid",9-acetoxy-10-hydroxyoctadecanoic acid,CCCCCCCCC(O)C(CCCCCCCC(=O)O)OC(=O)C,CCCCCCCCC(O)C(CCCCCCCC(=O)O)OC(=O)C,"InChI=1/C20H38O5/c1-3-4-5-6-8-11-14-18(22)19(25-17(2)21)15-12-9-7-10-13-16-20(23)24/h18-19,22H,3-16H2,1-2H3,(H,23,24)",C20H38O5,,,,,,PEHFQVGCCUZNMA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.525,237-993-7,14147-07-0,"N,N-dibenzylpyridine-4-methylamine",N-benzyl-1-phenyl-N-(pyridin-4-ylmethyl)methanamine,C(N(Cc1ccccc1)Cc2ccncc2)c3ccccc3,C(N(Cc1ccccc1)Cc2ccncc2)c3ccccc3,"InChI=1/C20H20N2/c1-3-7-18(8-4-1)15-22(16-19-9-5-2-6-10-19)17-20-11-13-21-14-12-20/h1-14H,15-17H2",C20H20N2,,,,,,BPLXDKVKYBVOAB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.617,239-194-9,15130-95-7,"Sodium 5,5-diallylbarbiturate","sodium 5,5-diallyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].[O-]C1=NC(=O)C(CC=C)(CC=C)C(=O)N1,[Na+].[O-]C1=NC(=O)C(CC=C)(CC=C)C(=O)N1,"InChI=1/C10H12N2O3.Na/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14;/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15);/q;+1/p-1",C10H12N2O3.Na,,,,,,XGUUCCVRACSUAD-UHFFFAOYSA-M,,,,,,,,,,,
100.036.994,240-709-4,16665-61-5,Deacetylthiocolchicine hydrochloride,"7-amino-1,2,3-trimethoxy-10-(methylsulfanyl)-6,7-dihydrobenzo[a]heptalen-9(5H)-one",COc1cc2CCC(N)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC,COc1cc2CCC(N)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC,"InChI=1/C20H23NO4S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14H,5,7,21H2,1-4H3",C20H23NO4S.ClH,,,,,,NUNCOHUMTCDISK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.996,240-712-0,16667-45-1,1-(methylamino)propan-2-ol,1-(methylamino)propan-2-ol,CNCC(C)O,CNCC(C)O,"InChI=1/C4H11NO/c1-4(6)3-5-2/h4-6H,3H2,1-2H3",C4H11NO,,,,,,AEKHFLDILSDXBL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.999,240-715-7,16669-59-3,N-[(2-methylpropoxy)methyl]acrylamide,N-(isobutoxymethyl)acrylamide,CC(C)COCNC(=O)C=C,CC(C)COCNC(=O)C=C,"InChI=1/C8H15NO2/c1-4-8(10)9-6-11-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)",C8H15NO2,,,,,,KCTMTGOHHMRJHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.005,235-219-2,12135-22-7,Palladium dihydroxide,palladium(2+) dihydroxide,[OH-].[OH-].[Pd+2],[OH-].[OH-].[Pd+2],InChI=1/2H2O.Pd/h2*1H2;/q;;+2/p-2,H2O2Pd,,,,,,NXJCBFBQEVOTOW-UHFFFAOYSA-L,,,,,,,,,,,
100.038.772,242-666-7,18917-82-3,Lead dilactate,-,[Pb+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O,[Pb+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O,"InChI=1/2C3H6O3.Pb.2H/c2*1-2(4)3(5)6;;;/h2*2,4H,1H3,(H,5,6);;;/q;;+4;;/p-2/r2C3H6O3.H2Pb/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);1H2/q;;+4/p-2",C6H10O6Pb,,,,,,JHLGIWLLGRJIEN-UHFFFAOYSA-L,,,,,,,,,,,
100.038.794,242-690-8,18937-79-6,Methyl hex-2-ynoate,methyl hex-2-ynoate,CCCC#CC(=O)OC,CCCC#CC(=O)OC,"InChI=1/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-4H2,1-2H3",C7H10O2,,,,,,DHZPZBFOJDXEHS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.796,242-692-9,18939-61-2,Copper(2+) sulphate,copper(2+) sulfate,[Cu+2].[O-]S(=O)(=O)[O-],[Cu+2].[O-]S(=O)(=O)[O-],"InChI=1/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Cu.xH2O4S,,,,,,ARUVKPQLZAKDPS-UHFFFAOYSA-L,,,,,,,,,,,
100.038.797,242-693-4,18939-69-0,2-butylisothiouronium chloride,amino(butylsulfanyl)methaniminium chloride,[Cl-].CCCCSC(=[NH2+])N,[Cl-].CCCCSC(=[NH2+])N,"InChI=1/C5H12N2S.ClH/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H3,6,7);1H",C5H12N2S.ClH,,,,,,NKSOMTCINVNMER-UHFFFAOYSA-N,,,,,,,,,,,
100.038.803,242-700-0,18957-59-0,Zinc cinnamate,zinc bis(3-phenylacrylate),[Zn+2].[O-]C(=O)\\C=C\\c1ccccc1.[O-]C(=O)\\C=C\\c2ccccc2,[Zn+2].[O-]C(=O)\C=C\c1ccccc1.[O-]C(=O)\C=C\c2ccccc2,"InChI=1/2C9H8O2.Zn/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/q;;+2/p-2",C9H8O2.1/2Zn,,,,,,LZQDMXSNTYKRAW-RWUXNGIBSA-L,,,,,,,,,,,
100.038.814,242-712-6,18979-53-8,4-pentyloxyphenol,4-(pentyloxy)phenol,CCCCCOc1ccc(O)cc1,CCCCCOc1ccc(O)cc1,"InChI=1/C11H16O2/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8,12H,2-4,9H2,1H3",C11H16O2,,,,,,JCLFHZLOKITRCE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.818,242-716-8,18979-96-9,4-chloro-2-heptylphenol,4-chloro-2-heptylphenol,CCCCCCCc1cc(Cl)ccc1O,CCCCCCCc1cc(Cl)ccc1O,"InChI=1/C13H19ClO/c1-2-3-4-5-6-7-11-10-12(14)8-9-13(11)15/h8-10,15H,2-7H2,1H3",C13H19ClO,,,,,,LAMKHMJVAKQLOO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.820,242-718-9,18980-21-7,4-bromo-2-ethylphenol,4-bromo-2-ethylphenol,CCc1cc(Br)ccc1O,CCc1cc(Br)ccc1O,"InChI=1/C8H9BrO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3",C8H9BrO,,,,,,MAAADQMBQYSOOG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.419,238-977-2,14908-64-6,p-tolyl methacrylate,4-methylphenyl methacrylate,CC(=C)C(=O)Oc1ccc(C)cc1,CC(=C)C(=O)Oc1ccc(C)cc1,"InChI=1/C11H12O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C11H12O2,,,,,,AOUAMFARIYTDLK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.426,238-985-6,14916-79-1,Hept-3-yn-1-ol,hept-3-yn-1-ol,CCCC#CCCO,CCCC#CCCO,"InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3",C7H12O,,,,,,PSWHODJVUOXHKA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.430,238-989-8,14918-80-0,3-formylbut-2-enyl acetate,3-methyl-4-oxobut-2-en-1-yl acetate,CC(=O)OCC=C(C)C=O,CC(=O)OCC=C(C)C=O,"InChI=1/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3",C7H10O3,,,,,,LPDDKAJRWGPGSI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.440,239-000-2,14930-96-2,"7(S),20(R)-dihydroxy-16(R)-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13(E),21(E)-triene-1,23-dione","16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione",CC1CCCC(O)C=CC(=O)OC23C(C=CC1)C(O)C(=C)C(C)C2C(Cc4ccccc4)NC3=O,CC1CCCC(O)C=CC(=O)OC23C(C=CC1)C(O)C(=C)C(C)C2C(Cc4ccccc4)NC3=O,"InChI=1/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)",C29H37NO5,,,,,,GBOGMAARMMDZGR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.448,239-009-1,14934-37-3,3-ethyl-2-[3-(3-ethyl-3H-benzoxazol-2-ylidene)-2-methylprop-1-enyl]benzoxazolium iodide,"3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4ccccc4oc3C=C(C)C=C2Oc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4oc3C=C(C)C=C2Oc1ccccc1N2CC,"InChI=1/C22H23N2O2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1",C22H23N2O2.I,,,,,,SGSAYBUVQALYJE-UHFFFAOYSA-M,,,,,,,,,,,
100.061.846,268-050-8,67990-29-8,"2,3,4,6a-tetrahydro-1H-1,3a-ethanopentalen-3-yl propionate","2,3,4,6a-tetrahydro-1H-1,3a-ethanopentalen-3-yl propionate",CCC(=O)OC1CC2CCC13CC=CC23,CCC(=O)OC1CC2CCC13CC=CC23,"InChI=1/C13H18O2/c1-2-12(14)15-11-8-9-5-7-13(11)6-3-4-10(9)13/h3-4,9-11H,2,5-8H2,1H3",C13H18O2,,,,,,GNSJBXUKHHNIFD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.849,268-053-4,67990-32-3,"Bis(2,4,6-tribromophenyl) carbonate","bis(2,4,6-tribromophenyl) carbonate",Brc1cc(Br)c(OC(=O)Oc2c(Br)cc(Br)cc2Br)c(Br)c1,Brc1cc(Br)c(OC(=O)Oc2c(Br)cc(Br)cc2Br)c(Br)c1,InChI=1/C13H4Br6O3/c14-5-1-7(16)11(8(17)2-5)21-13(20)22-12-9(18)3-6(15)4-10(12)19/h1-4H,C13H4Br6O3,,,,,,KYCZCJACRVPWFK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.859,268-064-4,67999-55-7,"Octahydro-1,1,5,5-tetramethyl-7H-2,4a-methanonaphthalen-7-one","1,1,5,5-tetramethyloctahydro-7H-2,4a-methanonaphthalen-7-one",CC1(C)C2CCC3(C2)C1CC(=O)CC3(C)C,CC1(C)C2CCC3(C2)C1CC(=O)CC3(C)C,"InChI=1/C15H24O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h10,12H,5-9H2,1-4H3",C15H24O,,,,,,MWPBNGVYOHBVGM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.337,266-391-7,66532-86-3,"4-acetamidophenyl N,N-diethylaminoacetate monohydrochloride","4-acetamidophenyl N,N-diethylglycinate hydrochloride",Cl.CCN(CC)CC(=O)Oc1ccc(NC(=O)C)cc1,Cl.CCN(CC)CC(=O)Oc1ccc(NC(=O)C)cc1,"InChI=1/C14H20N2O3.ClH/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17;/h6-9H,4-5,10H2,1-3H3,(H,15,17);1H",C14H20N2O3.ClH,,,,,,WGTYJNGARJPYKG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.345,266-400-4,66545-42-4,2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-5-nitrobenzonitrile,2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile,N#CCCN(CCCC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,N#CCCN(CCCC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C20H20N6O2/c1-2-3-12-25(13-4-11-21)18-7-5-17(6-8-18)23-24-20-10-9-19(26(27)28)14-16(20)15-22/h5-10,14H,2-4,12-13H2,1H3",C20H20N6O2,,,,,,OWNXXHQPYXAOHS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.353,266-409-3,66574-84-3,N-acetyl-2-fluoro-3-phenyl-DL-alanine,N-acetyl-alpha-fluoro-L-phenylalanine,CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)O,CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)O,"InChI=1/C11H12FNO3/c1-8(14)13-11(12,10(15)16)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)(H,15,16)",C11H12FNO3,,,,,,GWCCJBOGDOWPLW-NSHDSACASA-N,,,,,,,,,,,
100.060.356,266-413-5,66582-16-9,4-methyl-2-oxopentanenitrile,4-methyl-2-oxopentanenitrile,CC(C)CC(=O)C#N,CC(C)CC(=O)C#N,"InChI=1/C6H9NO/c1-5(2)3-6(8)4-7/h5H,3H2,1-2H3",C6H9NO,,,,,,UYCTVHPXUZNWSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.367,266-425-0,66612-19-9,"2-[[4-[[2-(carbamoylamino)-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene]amino]phenyl]ethylamino]acetamide","N~2~-(4-{[2-(carbamoylamino)-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino}phenyl)-N~2~-ethylglycinamide",C\\C2=C\\C(=Nc1ccc(cc1)N(CC(N)=O)CC)C(=C/C2=O)\\NC(N)=O,C\C2=C\C(=Nc1ccc(cc1)N(CC(N)=O)CC)C(=C/C2=O)\NC(N)=O,"InChI=1/C18H21N5O3/c1-3-23(10-17(19)25)13-6-4-12(5-7-13)21-14-8-11(2)16(24)9-15(14)22-18(20)26/h4-9H,3,10H2,1-2H3,(H2,19,25)(H3,20,22,26)",C18H21N5O3,,,,,,PMHOFGLSMYOLRF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.368,266-426-6,66614-56-0,"4-(2,2-diethoxyethoxy)toluene","1-(2,2-diethoxyethoxy)-4-methylbenzene",CCOC(COc1ccc(C)cc1)OCC,CCOC(COc1ccc(C)cc1)OCC,"InChI=1/C13H20O3/c1-4-14-13(15-5-2)10-16-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3",C13H20O3,,,,,,PQSIJEAZEVYENF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.372,266-430-8,66634-44-4,Corynanthine hydrochloride,methyl 17-hydroxyyohimban-16-carboxylate hydrochloride,Cl.COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,Cl.COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,"InChI=1/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H",C21H26N2O3.ClH,,,,,,PIPZGJSEDRMUAW-VYDVLXQVSA-N,,,,,,,,,,,
100.055.125,260-656-0,57267-78-4,Ammonium 2-hydroxyethanesulphonate,ammonium 2-hydroxyethanesulfonate,[NH4+].OCCS(=O)(=O)[O-],[NH4+].OCCS(=O)(=O)[O-],"InChI=1/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3",C2H6O4S.H3N,,,,,,LLOHIFXFHGMBNO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.027,262-750-7,61380-41-4,cis-(-)-4-(methoxycarbonyl)-3-methyl-1-phenethyl-4-(N-phenylpropionylamino)piperidinium hydrogen oxalate,4-(methoxycarbonyl)-3-methyl-1-(2-phenylethyl)-4-[(2-phenylpropanoyl)amino]piperidinium hydrogen oxalate,COC(=O)[C@]1(CC[NH+](CCc2ccccc2)C[C@@H]1C)NC(=O)C(C)c3ccccc3.[O-]C(=O)C(=O)[O-],COC(=O)[C@]1(CC[NH+](CCc2ccccc2)C[C@@H]1C)NC(=O)C(C)c3ccccc3.[O-]C(=O)C(=O)[O-],"InChI=1/C25H32N2O3.C2H2O4/c1-19-18-27(16-14-21-10-6-4-7-11-21)17-15-25(19,24(29)30-3)26-23(28)20(2)22-12-8-5-9-13-22;3-1(4)2(5)6/h4-13,19-20H,14-18H2,1-3H3,(H,26,28);(H,3,4)(H,5,6)/p-1",C25H32N2O3.C2H2O4,,,,,,WRKYXMMMGHAHDH-FQUYXRHLSA-M,,,,,,,,,,,
100.057.029,262-752-8,61381-04-2,"3,4-diethoxyphenethylamine","2-(3,4-diethoxyphenyl)ethanamine",CCOc1ccc(CCN)cc1OCC,CCOc1ccc(CCN)cc1OCC,"InChI=1/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3",C12H19NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18510,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.029,YOUNXJAJHCCMNK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.798,237-193-8,13682-92-3,Dihydroxyaluminium glycinate,dihydroxyaluminum(1+) aminoacetate,NCC(=O)[O-].O[Al+]O,NCC(=O)[O-].O[Al+]O,"InChI=1/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+3;;/p-3/rC2H5NO2.AlH2O2/c3-1-2(4)5;2-1-3/h1,3H2,(H,4,5);2-3H/q;+1/p-1",C2H6AlNO4,,,,,,BWZOPYPOZJBVLQ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.801,237-196-4,13683-89-1,Methyl (3-hydroxyphenyl)-carbamate,methyl (3-hydroxyphenyl)carbamate,COC(=O)Nc1cccc(O)c1,COC(=O)Nc1cccc(O)c1,"InChI=1/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)",C8H9NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10086,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.801,FFQQCJGNKKIRMD-UHFFFAOYSA-N,,,,,,,,,,,
100.031.593,234-766-4,12032-30-3,Magnesium titanate,dimagnesium tetraoxidotitanium,[Mg+2].[Mg+2].[O-][Ti]([O-])([O-])[O-],[Mg+2].[Mg+2].[O-][Ti]([O-])([O-])[O-],"InChI=1/2Mg.4O.Ti/q2*+2;4*-1;/r2Mg.O4Ti/c;;1-5(2,3)4/q2*+2;-4",Mg.O3Ti,,,,,,ARQKSXVJSQYSQG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.596,234-770-6,12032-35-8,Magnesium dititanate,magnesium dititanate,[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-][Ti]([O-])([O-])[O-].[O-][Ti]([O-])([O-])[O-],[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-][Ti]([O-])([O-])[O-].[O-][Ti]([O-])([O-])[O-],"InChI=1/4Mg.8O.2Ti/q4*+2;8*-1;;/r4Mg.2O4Ti/c;;;;2*1-5(2,3)4/q4*+2;2*-4",Mg.O5Ti2,,,,,,LQKMGCXONHTPBI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.598,234-772-7,12032-37-0,Magnesium bis[dithioxoscandate(1-)],magnesium bis[dithioxoscandate(1-)],[Mg+2].S=[Sc-]=S.S=[Sc-]=S,[Mg+2].S=[Sc-]=S.S=[Sc-]=S,InChI=1/Mg.4S.2Sc/q+2;;;;;2*-1/rMg.2S2Sc/c;2*1-3-2/q+2;2*-1,Mg.2S2Sc,,,,,,ZGCZGJFJYWNPNT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.604,234-779-5,12032-82-5,"Antimony, compound with manganese (1:1)",-,[Sb].[Mn],[Sb].[Mn],InChI=1/Mn.Sb/q+2;+3,Mn.Sb,,,,,,OOBNORVQFIAGPT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.243,238-783-8,14729-29-4,"Verrucarin A, 7'-deoxo-7'-(1-hydroxyethyl)-, [7'R(R)]-","17-hydroxy-12-(1-hydroxyethyl)-4a,16-dimethyl-1-(2-methylbut-1-en-1-yl)-4a,5,16,17,20,20a-hexahydro-1H,3H,14H-spiro[3,5-methanopyrano[4,3-c][1,6,12]trioxacyclooctadecine-4,2'-oxirane]-7,18(12H,15H)-dione",CCC(=CC1OC2CC3OC(=O)C=CC=CC(OCCC(C)C(O)C(=O)OCC1C3(C)C24CO4)C(C)O)C,CCC(=CC1OC2CC3OC(=O)C=CC=CC(OCCC(C)C(O)C(=O)OCC1C3(C)C24CO4)C(C)O)C,"InChI=1/C29H42O9/c1-6-17(2)13-22-20-15-35-27(33)26(32)18(3)11-12-34-21(19(4)30)9-7-8-10-25(31)38-23-14-24(37-22)29(16-36-29)28(20,23)5/h7-10,13,18-24,26,30,32H,6,11-12,14-16H2,1-5H3",C29H40O9,,,,,,CGXGSQBIEJQUMP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.244,238-784-3,14729-84-1,"Iron(2+) sulphate, compound with glycine (1:2)",iron(2+) sulfate diglycine (1:2),[Fe+2].NCC(=O)O.NCC(=O)O.[O-]S(=O)(=O)[O-],[Fe+2].NCC(=O)O.NCC(=O)O.[O-]S(=O)(=O)[O-],"InChI=1/2C2H5NO2.Fe.H2O4S/c2*3-1-2(4)5;;1-5(2,3)4/h2*1,3H2,(H,4,5);;(H2,1,2,3,4)/q;;+2;/p-2",C2H5NO2.1/2Fe.1/2H2O4S,,,,,,YJYOLOWXCPIBSY-UHFFFAOYSA-L,,,,,,,,,,,
100.035.248,238-789-0,14732-16-2,Neodymium triiodate,neodymium triiodate,[Nd+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Nd+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.Nd/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",HIO3.1/3Nd,,,,,,SEHRUTVBKBCDGC-UHFFFAOYSA-K,,,,,,,,,,,
100.036.879,240-584-6,16517-83-2,"1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-methoxybenzenesulphonate","1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl 4-methoxybenzenesulfonate",COc1ccc(cc1)S(=O)(=O)Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N,COc1ccc(cc1)S(=O)(=O)Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N,"InChI=1/C21H15NO7S/c1-28-11-6-8-12(9-7-11)30(26,27)29-16-10-15(23)17-18(19(16)22)21(25)14-5-3-2-4-13(14)20(17)24/h2-10,23H,22H2,1H3",C21H15NO7S,,,,,,FAYSAYVCKNLINZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.886,240-591-4,16523-89-0,Triallyl phosphine,triallylphosphine,C=CCP(CC=C)CC=C,C=CCP(CC=C)CC=C,"InChI=1/C9H15P/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2",C9H15P,,,,,,GNFABDZKXNKQKN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.895,240-601-7,16532-02-8,(bromomethyl)chlorodimethylsilane,(bromomethyl)(chloro)dimethylsilane,C[Si](C)(Cl)CBr,C[Si](C)(Cl)CBr,"InChI=1/C3H8BrClSi/c1-6(2,5)3-4/h3H2,1-2H3",C3H8BrClSi,,,,,,CAURZYXCQQWBJO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.896,240-602-2,16532-79-9,4-bromophenylacetonitrile,(4-bromophenyl)acetonitrile,Brc1ccc(CC#N)cc1,Brc1ccc(CC#N)cc1,"InChI=1/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2",C8H6BrN,,,,,,MFHFWRBXPQDZSA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.901,240-608-5,16539-99-4,"p-[(5-cyano-2,6-dihydroxy-4-methyl-3-pyridyl)azo]benzenesulphonamide","4-[(5-cyano-2,6-dihydroxy-4-methylpyridin-3-yl)diazenyl]benzenesulfonamide",Oc2nc(O)c(C#N)c(C)c2N=Nc1ccc(cc1)S(N)(=O)=O,Oc2nc(O)c(C#N)c(C)c2N=Nc1ccc(cc1)S(N)(=O)=O,"InChI=1/C13H11N5O4S/c1-7-10(6-14)12(19)16-13(20)11(7)18-17-8-2-4-9(5-3-8)23(15,21)22/h2-5H,1H3,(H2,15,21,22)(H2,16,19,20)",C13H11N5O4S,,,,,,WVIPTGNFFZTKHS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.903,240-610-6,16545-00-9,Bis[2-(diethylamino)ethyl] adipate,bis[2-(diethylamino)ethyl] adipate,CCN(CC)CCOC(=O)CCCCC(=O)OCCN(CC)CC,CCN(CC)CCOC(=O)CCCCC(=O)OCCN(CC)CC,"InChI=1/C18H36N2O4/c1-5-19(6-2)13-15-23-17(21)11-9-10-12-18(22)24-16-14-20(7-3)8-4/h5-16H2,1-4H3",C18H36N2O4,,,,,,RGAMPJYGTCSRAG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.908,240-615-3,16546-47-7,Methoxydimethylvinylsilane,methoxy(dimethyl)vinylsilane,CO[Si](C)(C)C=C,CO[Si](C)(C)C=C,"InChI=1/C5H12OSi/c1-5-7(3,4)6-2/h5H,1H2,2-4H3",C5H12OSi,,,,,,NUFVQEIPPHHQCK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.620,239-198-0,15137-09-4,Cobalt disodium ethylenediaminetetraacetate,"cobalt(2+) disodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[Na+].[Na+].[Co+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[Co+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.Co.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",C10H12CoN2O8.2Na,,,,,,SRRLDCNCJFKVFJ-UHFFFAOYSA-J,,,,,,,,,,,
100.035.623,239-202-0,15140-27-9,"Estra-1,3,5(10)-triene-3,17ß-diol 17-cyclohexanecarboxylate","3-hydroxyestra-1,3,5(10)-trien-17-yl cyclohexanecarboxylate",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)C5CCCCC5,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)C5CCCCC5,"InChI=1/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3",C25H34O3,,,,,,IVRCALGRJCHPRV-BZDYCCQFSA-N,,,,,,,,,,,
100.038.253,242-094-8,18205-85-1,N-[2-[[2-(dodecylamino)ethyl]amino]ethyl]glycine monohydrochloride,N-(2-{[2-(dodecylamino)ethyl]amino}ethyl)glycine hydrochloride,Cl.CCCCCCCCCCCCNCCNCCNCC(=O)O,Cl.CCCCCCCCCCCCNCCNCCNCC(=O)O,"InChI=1/C18H39N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23;/h19-21H,2-17H2,1H3,(H,22,23);1H",C18H39N3O2.ClH,,,,,,GJEULMGGGBFACC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.260,242-103-5,18225-09-7,"Trichloro(2,2,4-trimethylpentyl)silane","trichloro(2,2,4-trimethylpentyl)silane",CC(C)CC(C)(C)C[Si](Cl)(Cl)Cl,CC(C)CC(C)(C)C[Si](Cl)(Cl)Cl,"InChI=1/C8H17Cl3Si/c1-7(2)5-8(3,4)6-12(9,10)11/h7H,5-6H2,1-4H3",C8H17Cl3Si,,,,,,OXMUDGSMUBSJDT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.261,242-104-0,18226-17-0,"2,2'-[(4-nitrophenyl)imino]bisethanol","2,2'-[(4-nitrophenyl)imino]diethanol",OCCN(CCO)c1ccc(cc1)[N+](=O)[O-],OCCN(CCO)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H14N2O4/c13-7-5-11(6-8-14)9-1-3-10(4-2-9)12(15)16/h1-4,13-14H,5-8H2",C10H14N2O4,,,,,,CDEQUHCAZLSDTD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.262,242-105-6,18228-16-5,N-(5-chloro-2-methoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide,3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2-naphthyl dihydrogen phosphate,COc1ccc(Cl)cc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,COc1ccc(Cl)cc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,"InChI=1/C18H15ClNO6P/c1-25-16-7-6-13(19)10-15(16)20-18(21)14-8-11-4-2-3-5-12(11)9-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)",C18H15ClNO6P,,,,,,AXMIMEOLDUCZOC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.265,242-108-2,18228-44-9,a-isopropyl-p-methylbenzyl alcohol,2-methyl-1-(4-methylphenyl)propan-1-ol,CC(C)C(O)c1ccc(C)cc1,CC(C)C(O)c1ccc(C)cc1,"InChI=1/C11H16O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3",C11H16O,,,,,,PKSSQQPDFFZHEU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.269,242-112-4,18236-15-2,2-(triethoxysilyl)ethanethiol,2-(triethoxysilyl)ethanethiol,CCO[Si](CCS)(OCC)OCC,CCO[Si](CCS)(OCC)OCC,"InChI=1/C8H20O3SSi/c1-4-9-13(8-7-12,10-5-2)11-6-3/h12H,4-8H2,1-3H3",C8H20O3SSi,,,,,,DVNPFNZTPMWRAX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.270,242-114-5,18236-23-2,"6,6-dimethyl-2,5,7,10-tetraoxa-6-silaundecane","6,6-dimethyl-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](C)(C)OCCOC,COCCO[Si](C)(C)OCCOC,"InChI=1/C8H20O4Si/c1-9-5-7-11-13(3,4)12-8-6-10-2/h5-8H2,1-4H3",C8H20O4Si,,,,,,OVZRXWSZIKLJRC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.271,242-115-0,18240-10-3,2-(3-cyclohexenyl)ethanol,2-cyclohex-3-en-1-ylethanol,OCCC1CCC=CC1,OCCC1CCC=CC1,"InChI=1/C8H14O/c9-7-6-8-4-2-1-3-5-8/h1-2,8-9H,3-7H2",C8H14O,,,,,,FELLSOCIMJMONP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.152,237-582-2,13847-18-2,"Phosphoric acid, barium salt",barium hydrogen phosphate,[Ba+2].OP(=O)([O-])[O-],[Ba+2].OP(=O)([O-])[O-],"InChI=1/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2",Ba.xH3O4P,,,,,,LYSTYSFIGYAXTG-UHFFFAOYSA-L,,,,,,,,,,,
100.034.162,237-593-2,13858-50-9,4-diisopropylaminobutyronitrile,4-(diisopropylamino)butanenitrile,CC(C)N(CCCC#N)C(C)C,CC(C)N(CCCC#N)C(C)C,"InChI=1/C10H20N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-6,8H2,1-4H3",C10H20N2,,,,,,SWVUWKUFMMUEDC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.168,237-600-9,13863-31-5,"Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].CN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(C)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].CN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(C)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C38H40N12O8S2.2Na/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52;;/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;/q;2*+1/p-2",C38H40N12O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2223,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.168,VVYVUOFMPAXVCH-QDBORUFSSA-L,,,,,,,,,,,
100.034.179,237-612-4,13865-46-8,1-methylundecylamine,dodecan-2-amine,CCCCCCCCCCC(C)N,CCCCCCCCCCC(C)N,"InChI=1/C12H27N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11,13H2,1-2H3",C12H27N,,,,,,VXUXKOBYNVVANW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.180,237-614-5,13867-72-6,Copper fluoride hydroxide,copper(2+) fluoride hydroxide,[Cu+2].[F-].[OH-],[Cu+2].[F-].[OH-],InChI=1/Cu.FH.H2O/h;1H;1H2/q+2;;/p-2,CuFHO,,,,,,NJMQPXGAYDNODA-UHFFFAOYSA-L,,,,,,,,,,,
100.035.449,239-010-7,14936-66-4,1-methyloctyl acetate,1-methyloctyl acetate,CCCCCCCC(C)OC(=O)C,CCCCCCCC(C)OC(=O)C,"InChI=1/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3",C11H22O2,,,,,,GSUGVJOUDSLEBL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.452,239-013-3,14937-42-9,Tetrakis(decyl)ammonium bromide,"N,N,N-tris(decyl)decan-1-aminium bromide",[Br-].CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC,[Br-].CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC,"InChI=1/C40H84N.BrH/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;/h5-40H2,1-4H3;1H/q+1;/p-1",C40H84N.Br,,,,,,AHNISXOXSNAHBZ-UHFFFAOYSA-M,,,,,,,,,,,
100.031.731,234-917-4,12040-41-4,"(5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diyl bispyridine-3-carboxylate hydrochloride","17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dinicotinate hydrochloride",Cl.CN1CC[C@]23[C@H]4Oc5c(OC(=O)c6cccnc6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)c7cccnc7)c35,Cl.CN1CC[C@]23[C@H]4Oc5c(OC(=O)c6cccnc6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)c7cccnc7)c35,"InChI=1/C29H25N3O5.ClH/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18;/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3;1H",C29H25N3O5.ClH,,,,,,LYSPLNOMQZTGCM-IOZAQTAYSA-N,,,,,,,,,,,
100.031.732,234-919-5,12040-43-6,"Silicic acid, aluminum magnesium sodium salt",-,[Na+].[Mg+2].[Al+3].[O-][Si](=O)[O-],[Na+].[Mg+2].[Al+3].[O-][Si](=O)[O-],InChI=1/Al.Mg.Na.O3Si/c;;;1-4(2)3/q+3;+2;+1;-2,-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13254,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.732,XSLCNEYIBFFLPM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.739,234-926-3,12042-08-9,"Aluminium, compound with cerium (1:3)",aluminum - cerium (1:3),[AlH3].[Ce].[Ce].[Ce],[AlH3].[Ce].[Ce].[Ce],InChI=1/Al.3Ce.3H/q4*+3;;;/rAlH3.3Ce/h1H3;;;/q4*+3,Al.Ce,,,,,,PIELFSMUBASFQT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.747,234-935-2,12043-13-9,"Aluminium, compound with neodymium (2:1)",aluminum - neodymium (2:1),[AlH3].[AlH3].[Nd],[AlH3].[AlH3].[Nd],InChI=1/2Al.Nd.6H/q3*+3;;;;;;/r2AlH3.Nd/h2*1H3;/q3*+3,Al.Nd,,,,,,JNMKHCFQBWBJON-UHFFFAOYSA-N,,,,,,,,,,,
100.031.752,234-941-5,12043-30-0,"Aluminium, compound with yttrium (2:1)",aluminum - yttrium (2:1),[AlH3].[AlH3].[Y],[AlH3].[AlH3].[Y],InChI=1/2Al.Y.6H/q3*+3;;;;;;/r2AlH3.Y/h2*1H3;/q3*+3,Al.Y,,,,,,SOHNZYWAVOYHQS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.754,234-943-6,12043-47-9,"Aluminium, compound with calcium (4:1)",aluminum - calcium (4:1),[AlH3].[AlH3].[AlH3].[AlH3].[CaH2],[AlH3].[AlH3].[AlH3].[AlH3].[CaH2],InChI=1/4Al.Ca.14H/q4*+3;+2;;;;;;;;;;;;;;/r4AlH3.CaH2/h4*1H3;1H2/q4*+3;+2,Al.Ca,,,,,,DQWMGGFEPFSIBE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.755,234-944-1,12043-58-2,"Aluminium, compound with iron (5:2)",aluminum - iron (5:2),[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Fe].[Fe],[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Fe].[Fe],InChI=1/5Al.2Fe.15H/q5*+3;2*+2;;;;;;;;;;;;;;;/r5AlH3.2Fe/h5*1H3;;/q5*+3;2*+2,Al.Fe,,,,,,NEUJMDGTXJPONO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.764,234-954-6,12044-49-4,Trimagnesium diarsenide,trimagnesium diarsenide,[Mg+2].[Mg+2].[Mg+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],[Mg+2].[Mg+2].[Mg+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],"InChI=1/6As2H3.3Mg/c6*1-2;;;/h6*1H,2H2;;;/q6*-1;3*+2",As2Mg3,,,,,,UXBKKPGZOJAXOT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.009,235-223-4,12135-76-1,Ammonium sulphide,thioxoammonium,[NH2+]=S,[NH2+]=S,InChI=1/HNS/c1-2/h1H/p+1,H8N2S,,,,,,GLBQVJGBPFPMMV-UHFFFAOYSA-O,,,,,,,,,,,
100.032.022,235-238-6,12137-34-7,Dirubidium titanate,-,[Rb+].[Rb+].[O-][Ti]([O-])([O-])[O-],[Rb+].[Rb+].[O-][Ti]([O-])([O-])[O-],"InChI=1/4O.2Rb.Ti/q4*-1;2*+1;/rO4Ti.2Rb/c1-5(2,3)4;;/q-4;2*+1",O3Ti.2Rb,,,,,,QYSBLTVTLXJKOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.035,235-252-2,12141-20-7,Trilead dioxide phosphonate,-,[PbH2+2].[O-]P(=O)[O-].O=[Pb].O=[Pb],[PbH2+2].[O-]P(=O)[O-].O=[Pb].O=[Pb],"InChI=1/H3O3P.2O.3Pb.2H/c1-4(2)3;;;;;;;/h4H,(H2,1,2,3);;;;;;;/q;;;2*+2;+4;;/p-2/rH3O3P.2OPb.H2Pb/c1-4(2)3;2*1-2;/h4H,(H2,1,2,3);;;1H2/q;2*+2;+4/p-2",HO5PPb3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16140,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.035,VAOOPULOMAMBPQ-UHFFFAOYSA-L,,,,,,,,,,,
100.032.043,235-261-1,12142-92-6,"Nickel, compound with zirconium (1:2)",nickel - zirconium (1:2),[Ni].[Zr].[Zr],[Ni].[Zr].[Zr],InChI=1/Ni.2Zr/q3*+2,Ni.Zr,,,,,,FFHHUTIYUSMYMU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.832,242-732-5,18995-15-8,"3-ethylpentane-2,4-dione, monosodium salt",-,[Na+].CCC(C(=O)C)C(=O)C,[Na+].CCC(C(=O)C)C(=O)C,"InChI=1/C7H12O2.Na/c1-4-7(5(2)8)6(3)9;/h7H,4H2,1-3H3;/q;+1",C7H11O2.Na,,,,,,YCWXUFFRGIUGGS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.834,242-734-6,18996-35-5,Sodium dihydrogen citrate,dihydrogen sodium citrate,[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-3",C6H8O7.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14189,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.834,HWPKGOGLCKPRLZ-UHFFFAOYSA-K,,,,,,,,,,,
100.038.840,242-740-9,19006-82-7,6-phenyl-2-pyridone,6-phenylpyridin-2(1H)-one,O=C1NC(=CC=C1)c2ccccc2,O=C1NC(=CC=C1)c2ccccc2,"InChI=1/C11H9NO/c13-11-8-4-7-10(12-11)9-5-2-1-3-6-9/h1-8H,(H,12,13)",C11H9NO,,,,,,ZLUIDXRFWSPPCC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.032,262-755-4,61386-02-5,"Diallyl 5,5'-methylenedianthranilate","diallyl 3,3'-methylenebis(6-aminobenzoate)",Nc1ccc(Cc2ccc(N)c(c2)C(=O)OCC=C)cc1C(=O)OCC=C,Nc1ccc(Cc2ccc(N)c(c2)C(=O)OCC=C)cc1C(=O)OCC=C,"InChI=1/C21H22N2O4/c1-3-9-26-20(24)16-12-14(5-7-18(16)22)11-15-6-8-19(23)17(13-15)21(25)27-10-4-2/h3-8,12-13H,1-2,9-11,22-23H2",C21H22N2O4,,,,,,UPLSPVXIVFOSPK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.033,262-757-5,61389-12-6,"(E,Z)-trideca-4,7-dien-1-yl acetate","trideca-4,7-dien-1-yl acetate",CC(=O)OCCCC=CCC=CCCCCC,CC(=O)OCCCC=CCC=CCCCCC,"InChI=1/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3",C15H26O2,,,,,,LELQZCNRZHLYFG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.037,262-761-7,61392-12-9,Potassium dodecyl phosphonate,potassium dodecyl phosphonate,[K+].CCCCCCCCCCCCOP(=O)[O-],[K+].CCCCCCCCCCCCOP(=O)[O-],"InChI=1/C12H27O3P.K/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14;/h16H,2-12H2,1H3,(H,13,14);/q;+1/p-1",C12H27O3P.K,,,,,,GCFUCUBHWWGPRG-UHFFFAOYSA-M,,,,,,,,,,,
100.057.047,262-772-7,61415-11-0,3-methylcyclotridecan-1-one,3-methylcyclotridecanone,CC1CCCCCCCCCCC(=O)C1,CC1CCCCCCCCCCC(=O)C1,"InChI=1/C14H26O/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)12-13/h13H,2-12H2,1H3",C14H26O,,,,,,CVMWCRDXSQGRSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.056,262-782-1,61423-61-8,"2-aminoethyl (R)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate","2-aminoethyl 2,3-bis(hexadecyloxy)propyl hydrogen phosphate",CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OCCCCCCCCCCCCCCCC,"InChI=1/C37H78NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-41-35-37(36-44-45(39,40)43-34-31-38)42-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3,(H,39,40)",C37H78NO6P,,,,,,UXDBPOWEWOXJCE-DIPNUNPCSA-N,,,,,,,,,,,
100.057.057,262-783-7,61430-12-4,1-D-alanyl-L-proline,D-alanyl-L-proline,C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O,C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)",C8H14N2O3,,,,,,WPWUFUBLGADILS-RITPCOANSA-N,,,,,,,,,,,
100.057.066,262-793-1,61438-63-9,"N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-(isopropyl)phenyl]-2-hydroxy-3,5-diiodobenzamide","N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-isopropylphenyl}-2-hydroxy-3,5-diiodobenzamide",CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O,CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O,"InChI=1/C24H18Cl2I2N2O2/c1-12(2)16-9-17(19(11-29)13-3-5-14(25)6-4-13)20(26)10-22(16)30-24(32)18-7-15(27)8-21(28)23(18)31/h3-10,12,19,31H,1-2H3,(H,30,32)",C24H18Cl2I2N2O2,,,,,,ZTLCAYUKGRTQNN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.920,264-832-8,64347-21-3,"1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(hexatriacontenyl)pyrrolidine-2,5-dione","1-[2-({2-[(2-{[2-(2,5-dioxo-3-tetracont-1-en-1-ylpyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]-3-hexatriacont-1-en-1-ylpyrrolidine-2,5-dione",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C92H175N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-88-86-90(99)97(92(88)101)84-82-95-80-78-93-77-79-94-81-83-96-89(98)85-87(91(96)100)75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h73-76,87-88,93-95H,3-72,77-86H2,1-2H3",C92H175N5O4,,,,,,CFPXYPVVBUPQNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.924,264-837-5,64353-90-8,"5-acetyl-4-hydroxy-3-[1-[(4-hydroxy-3-nitrophenyl)amino]ethylidene]-2H-pyran-2,6(3H)-dione","5-acetyl-4-hydroxy-3-{1-[(4-hydroxy-3-nitrophenyl)amino]ethylidene}-2H-pyran-2,6(3H)-dione",O=C(C)\\C1=C(/O)C(C(=O)OC1=O)=C(C)Nc2ccc(O)c(c2)[N+]([O-])=O,O=C(C)\C1=C(/O)C(C(=O)OC1=O)=C(C)Nc2ccc(O)c(c2)[N+]([O-])=O,"InChI=1/C15H12N2O8/c1-6(16-8-3-4-10(19)9(5-8)17(23)24)11-13(20)12(7(2)18)15(22)25-14(11)21/h3-5,16,19-20H,1-2H3",C15H12N2O8,,,,,,YISMUFHDXREUIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.925,264-838-0,64353-91-9,"5-acetyl-3-[1-[(3-amino-4-hydroxyphenyl)amino]ethylidene]-4-hydroxy-2H-pyran-2,6(3H)-dione monohydrochloride","5-acetyl-3-{1-[(3-amino-4-hydroxyphenyl)amino]ethylidene}-4-hydroxy-2H-pyran-2,6(3H)-dione hydrochloride",Cl.O=C(C)\\C1=C(/O)C(C(=O)OC1=O)=C(C)Nc2ccc(O)c(N)c2,Cl.O=C(C)\C1=C(/O)C(C(=O)OC1=O)=C(C)Nc2ccc(O)c(N)c2,"InChI=1/C15H14N2O6.ClH/c1-6(17-8-3-4-10(19)9(16)5-8)11-13(20)12(7(2)18)15(22)23-14(11)21;/h3-5,17,19-20H,16H2,1-2H3;1H",C15H14N2O6.ClH,,,,,,SZIVIUGZEGATTN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.927,264-840-1,64354-92-3,3-(isodecyloxy)propiononitrile,3-[(8-methylnonyl)oxy]propanenitrile,CC(C)CCCCCCCOCCC#N,CC(C)CCCCCCCOCCC#N,"InChI=1/C13H25NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-9,11-12H2,1-2H3",C13H25NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1776,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.927,XDCQMQXLBGPTHH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.930,264-843-8,64359-81-5,"4,5-dichloro-2-octyl-2H-isothiazol-3-one","4,5-dichloro-2-octylisothiazol-3(2H)-one",CCCCCCCCN1SC(=C(Cl)C1=O)Cl,CCCCCCCCN1SC(=C(Cl)C1=O)Cl,"InChI=1/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3",C11H17Cl2NOS,,,,,,PORQOHRXAJJKGK-UHFFFAOYSA-N,Positive,SM883402;EA034401|EA034402|EA034403|EA034404|EA034405|EA034406|EA034407|EA034408|EA034409|EA034410|EA034411|EA034412|EA034413|EA034414,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,169.9228:282.0482:71.0856;169.9232|282.0483:169.9231:71.0854|169.923:282.048:71.0856|169.9231:57.0699:71.0856|169.9231:57.0699:71.0856|169.9229:134.954:57.0698|169.9227:134.9539:126.917|282.0481:169.9229:71.0854|169.923:282.0482:71.0855|169.923:57.0698:71.0855|169.9229:57.0698:71.0855|169.9227:57.0698:134.9539|169.9229:134.954:126.917|169.923,CASMI_2016;Eawag,,,,,
100.038.554,242-426-1,18586-22-6,"1,1,5,5-tetramethyl-3,3-diphenyl-1,5-divinyltrisiloxane","1,1,5,5-tetramethyl-3,3-diphenyl-1,5-divinyltrisiloxane",C[Si](C)(O[Si](O[Si](C)(C)C=C)(c1ccccc1)c2ccccc2)C=C,C[Si](C)(O[Si](O[Si](C)(C)C=C)(c1ccccc1)c2ccccc2)C=C,"InChI=1/C20H28O2Si3/c1-7-23(3,4)21-25(22-24(5,6)8-2,19-15-11-9-12-16-19)20-17-13-10-14-18-20/h7-18H,1-2H2,3-6H3",C20H28O2Si3,,,,,,OOGRAMOPTBMVKO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.556,242-428-2,18589-27-0,2-iodohexane,2-iodohexane,CCCCC(C)I,CCCCC(C)I,"InChI=1/C6H13I/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3",C6H13I,,,,,,XCEDNORUDUKWGK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.562,242-435-0,18598-63-5,Mecysteine hydrochloride,methyl L-cysteinate hydrochloride,Cl.COC(=O)[C@@H](N)CS,Cl.COC(=O)[C@@H](N)CS,"InChI=1/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H",C4H9NO2S.ClH,,,,,,WHOHXJZQBJXAKL-DFWYDOINSA-N,,,,,,,,,,,
100.038.567,242-440-8,18599-22-9,"4-bromo-3,3,4,4-tetrafluorobut-1-ene","4-bromo-3,3,4,4-tetrafluorobut-1-ene",FC(F)(Br)C(F)(F)C=C,FC(F)(Br)C(F)(F)C=C,"InChI=1/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2",C4H3BrF4,,,,,,GVCWGFZDSIWLMO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.570,242-443-4,18602-17-0,[3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium methyl sulphate,"6-(dodecyloxy)-1,5-dihydroxy-3-(2-hydroxyethyl)hexan-3-aminium methyl sulfate",CCCCCCCCCCCCOCC(O)CC([NH3+])(CCO)CCO.COS(=O)(=O)[O-],CCCCCCCCCCCCOCC(O)CC([NH3+])(CCO)CCO.COS(=O)(=O)[O-],"InChI=1/C20H43NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-16-25-18-19(24)17-20(21,12-14-22)13-15-23;1-5-6(2,3)4/h19,22-24H,2-18,21H2,1H3;1H3,(H,2,3,4)",C20H44NO4.CH3O4S,,,,,,HZDWIISFHGAMMK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.574,242-448-1,18621-76-6,But-2-enylene bisacrylate,"but-2-ene-1,4-diyl bisacrylate",C=CC(=O)OCC=CCOC(=O)C=C,C=CC(=O)OCC=CCOC(=O)C=C,"InChI=1/C10H12O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-6H,1-2,7-8H2",C10H12O4,,,,,,ZJWKFUBDXPALAF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.575,242-449-7,18621-94-8,Dilithium adipate,dilithium adipate,[Li+].[Li+].[O-]C(=O)CCCCC(=O)[O-],[Li+].[Li+].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.2Li/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H10O4.2Li,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17337,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.575,ZPJGNHUPXGDASP-UHFFFAOYSA-L,,,,,,,,,,,
100.038.580,242-454-4,18623-34-2,"2,3,6,9-tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate","1,3,7,9-tetramethyl-2,6-dioxo-2,3,6,7,8,9-hexahydro-1H-purin-1-ium methyl sulfate",COS(=O)(=O)[O-].CN1CN(C)C2=C1N(C)C(=O)[NH+](C)C2=O,COS(=O)(=O)[O-].CN1CN(C)C2=C1N(C)C(=O)[NH+](C)C2=O,"InChI=1/C9H14N4O2.CH4O4S/c1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3;1-5-6(2,3)4/h5H2,1-4H3;1H3,(H,2,3,4)",C9H13N4O2.CH3O4S,,,,,,UENPBBMDBSQLMU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.585,242-460-7,18633-25-5,Tridecyloxirane,2-tridecyloxirane,CCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCC1CO1,"InChI=1/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16-15/h15H,2-14H2,1H3",C15H30O,,,,,,QMIBIXKZPBEGTE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.590,242-465-4,18635-06-8,"N2-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-asparagine",N~2~-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]-L-asparagine,CC(C)(OC(=O)N[C@@H](CC(=O)N)C(=O)O)c1ccc(cc1)c2ccccc2,CC(C)(OC(=O)N[C@@H](CC(=O)N)C(=O)O)c1ccc(cc1)c2ccccc2,"InChI=1/C20H22N2O5/c1-20(2,27-19(26)22-16(18(24)25)12-17(21)23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H2,21,23)(H,22,26)(H,24,25)",C20H22N2O5,,,,,,JCYLLFHJPWLHKD-INIZCTEOSA-N,,,,,,,,,,,
100.038.595,242-471-7,18641-57-1,"Propane-1,2,3-triyl tridocosanoate","propane-1,2,3-triyl tridocosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3",C69H134O6,,,,,,DMBUODUULYCPAK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.598,242-474-3,18643-47-5,"N-[4-(2,4-di-tert-pentylphenoxy)butyl]-1-hydroxy-4-(p-nitrophenoxy)-2-naphthoamide","N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-4-(4-nitrophenoxy)-2-naphthamide",CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc(cc3)N(=O)=O)c4ccccc4c2O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc(cc3)N(=O)=O)c4ccccc4c2O)c(c1)C(C)(C)CC,"InChI=1/C37H44N2O6/c1-7-36(3,4)25-15-20-32(31(23-25)37(5,6)8-2)44-22-12-11-21-38-35(41)30-24-33(28-13-9-10-14-29(28)34(30)40)45-27-18-16-26(17-19-27)39(42)43/h9-10,13-20,23-24,40H,7-8,11-12,21-22H2,1-6H3,(H,38,41)",C37H44N2O6,,,,,,ZSDDKJNSRHOOHU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.808,237-205-1,13689-92-4,Nickel dithiocyanate,nickel(2+) bis(thiocyanate),[Ni+2].[S-]C#N.[S-]C#N,[Ni+2].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Ni/c2*2-1-3;/h2*3H;/q;;+2/p-2,CHNS.1/2Ni,,,,,,ALYMILAYQDOMFU-UHFFFAOYSA-L,,,,,,,,,,,
100.033.818,237-216-1,13695-28-8,Diethyl(2-hydroxyethyl)ammonium acetate,"N,N-diethyl-2-hydroxyethanaminium acetate",CC[NH+](CC)CCO.CC(=O)[O-],CC[NH+](CC)CCO.CC(=O)[O-],"InChI=1/C6H15NO.C2H4O2/c1-3-7(4-2)5-6-8;1-2(3)4/h8H,3-6H2,1-2H3;1H3,(H,3,4)",C6H15NO.C2H4O2,,,,,,MLVIXBBRXGJUJF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.195,237-630-2,13871-27-7,Disodium tetrafluoroberyllate,disodium tetrafluoroberyllate(2-),[Na+].[Na+].F[Be-2](F)(F)F,[Na+].[Na+].F[Be-2](F)(F)F,"InChI=1/Be.4FH.2Na/h;4*1H;;/q+2;;;;;2*+1/p-4/rBeF4.2Na/c2-1(3,4)5;;/q-2;2*+1",BeF4.2Na,,,,,,AGXNFXYYQRDDNO-UHFFFAOYSA-J,,,,,,,,,,,
100.034.199,237-634-4,13876-85-2,Dicopper tetraiodomercurate,dicopper(1+) tetraiodomercurate(2-),[Cu+].[Cu+].I[Hg-2](I)(I)I,[Cu+].[Cu+].I[Hg-2](I)(I)I,"InChI=1/2Cu.Hg.4HI/h;;;4*1H/q2*+1;+2;;;;/p-4/r2Cu.HgI4/c;;2-1(3,4)5/q2*+1;-2",Cu.1/2HgI4,,,,,,ASXNLSWYLPNEIU-UHFFFAOYSA-J,,,,,,,,,,,
100.034.201,237-637-0,13876-98-7,Potassium trifluorohydroxyborate(1-),potassium trifluoro(hydroxy)borate(1-),[K+].O[B-](F)(F)F,[K+].O[B-](F)(F)F,"InChI=1/BF3HO.K/c2-1(3,4)5;/h5H;/q-1;+1",BF3HO.K,,,,,,YKFUDQQSSVOYFF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.137,240-867-4,16844-27-2,Lithium p-toluenesulphinate,lithium 4-methylbenzenesulfinate,[Li+].Cc1ccc(cc1)S(=O)[O-],[Li+].Cc1ccc(cc1)S(=O)[O-],"InChI=1/C7H8O2S.Li/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1",C7H8O2S.Li,,,,,,MSUZXYWQEDRGFN-UHFFFAOYSA-M,,,,,,,,,,,
100.037.138,240-869-5,16845-61-7,"Phenol, compound with N,N-dipentylpentylamine (1:1)","phenol - N,N-dipentylpentan-1-amine (1:1)",CCCCCN(CCCCC)CCCCC.Oc1ccccc1,CCCCCN(CCCCC)CCCCC.Oc1ccccc1,"InChI=1/C15H33N.C6H6O/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;7-6-4-2-1-3-5-6/h4-15H2,1-3H3;1-5,7H",C15H33N.C6H6O,,,,,,ZQJDKPPZEMPWFK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.146,240-877-9,16853-85-3,Lithium tetrahydridoaluminate,lithium tetrahydridoaluminate(1-),[Li+].[AlH4-],[Li+].[AlH4-],InChI=1/Al.Li.4H/q+3;+1;;;;/rAlH4.Li/h1H4;/q+3;+1,AlH4.Li,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11218,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.146,OCZDCIYGECBNKL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.148,240-880-5,16856-13-6,4-methyl hydrogen L-aspartate hydrochloride,2-amino-4-methoxy-4-oxobutanoic acid hydrochloride (non-preferred name),Cl.COC(=O)C[C@H](N)C(=O)O,Cl.COC(=O)C[C@H](N)C(=O)O,"InChI=1/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H",C5H9NO4.ClH,,,,,,QRBMPUYOGOCYDJ-DFWYDOINSA-N,,,,,,,,,,,
100.037.155,240-887-3,16867-04-2,3-hydroxy-2-pyridone,3-hydroxypyridin-2(1H)-one,OC1=CC=CNC1=O,OC1=CC=CNC1=O,"InChI=1/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)",C5H5NO2,,,,,,GGOZGYRTNQBSSA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.165,240-898-3,16872-11-0,Tetrafluoroboric acid,tetrafluoroborate,F[B-](F)(F)F,F[B-](F)(F)F,"InChI=1/BF4/c2-1(3,4)5/q-1",BF4.H,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14214,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.165,ODGCEQLVLXJUCC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.166,240-899-9,16873-13-5,Tetraethylammonium hydrogen sulphate,"N,N,N-triethylethanaminium hydrogen sulfate",CC[N+](CC)(CC)CC.[O-]S(=O)(=O)[O-],CC[N+](CC)(CC)CC.[O-]S(=O)(=O)[O-],"InChI=1/C8H20N.H2O4S/c1-5-9(6-2,7-3)8-4;1-5(2,3)4/h5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C8H20N.HO4S,,,,,,CREVBWLEPKAZBH-UHFFFAOYSA-L,,,,,,,,,,,
100.037.168,240-901-8,16874-08-1,tert-butyl L-isoleucinate,tert-butyl L-isoleucinate,CCC(C)[C@H](N)C(=O)OC(C)(C)C,CCC(C)[C@H](N)C(=O)OC(C)(C)C,"InChI=1/C10H21NO2/c1-6-7(2)8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3",C10H21NO2,,,,,,DRWKBZREIMLHDX-MQWKRIRWSA-N,,,,,,,,,,,
100.037.169,240-902-3,16874-12-7,tert-butyl L-tyrosinate,tert-butyl L-tyrosinate,CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(O)cc1,CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(O)cc1,"InChI=1/C13H19NO3/c1-13(2,3)17-12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3",C13H19NO3,,,,,,DIGHFXIWRPMGSA-NSHDSACASA-N,,,,,,,,,,,
100.037.171,240-904-4,16874-69-4,"2,5-dioxo-4-oxazolidinepropionamide","3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanamide",NC(=O)CCC1NC(=O)OC1=O,NC(=O)CCC1NC(=O)OC1=O,"InChI=1/C6H8N2O4/c7-4(9)2-1-3-5(10)12-6(11)8-3/h3H,1-2H2,(H2,7,9)(H,8,11)",C6H8N2O4,,,,,,UBAGQWVWTSZVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.535,238-005-7,14160-93-1,4-amino-6-chloropyrimidine-5-carbaldehyde,4-amino-6-chloropyrimidine-5-carbaldehyde,Nc1ncnc(Cl)c1C=O,Nc1ncnc(Cl)c1C=O,"InChI=1/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)",C5H4ClN3O,,,,,,GOJNFUXEBVBARW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.536,238-006-2,14161-11-6,"3,4,5-trichloropyridazine","3,4,5-trichloropyridazine",Clc1cnnc(Cl)c1Cl,Clc1cnnc(Cl)c1Cl,InChI=1/C4HCl3N2/c5-2-1-8-9-4(7)3(2)6/h1H,C4HCl3N2,,,,,,GBAOOJAWDCNOGO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.537,238-007-8,14165-55-0,Germanium(4+) ethanolate,germanium(4+) tetraethanolate,[Ge+4].CC[O-].CC[O-].CC[O-].CC[O-],[Ge+4].CC[O-].CC[O-].CC[O-].CC[O-],"InChI=1/4C2H5O.Ge/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4",C2H6O.1/4Ge,,,,,,CTCOPPBXAFHGRB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.541,238-012-5,14167-18-1,"(ethylenebis(nitrilomethylidyne)-2,2'-diphenolato)cobalt(II)","{2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato(2-)-kappaO}cobalt",C1CN=Cc2ccccc2O[Co]Oc3ccccc3C=N1,C1CN=Cc2ccccc2O[Co]Oc3ccccc3C=N1,"InChI=1/C16H16N2O2.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2",C16H14CoN2O2,,,,,,NPAQSKHBTMUERN-UHFFFAOYSA-L,,,,,,,,,,,
100.038.844,242-745-6,19009-56-4,2-methyldecan-1-al,2-methyldecanal,CCCCCCCCC(C)C=O,CCCCCCCCC(C)C=O,"InChI=1/C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12/h10-11H,3-9H2,1-2H3",C11H22O,,,,,,LBICMZLDYMBIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.848,242-749-8,19010-79-8,Cadmium disalicylate,cadmium bis(2-hydroxybenzoate),[Cd+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Cd+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.Cd/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C14H10CdO6,,,,,,OPFRMDSDETYVHC-UHFFFAOYSA-L,,,,,,,,,,,
100.038.849,242-750-3,19012-03-4,1-methyl-1H-indole-3-carbaldehyde,1-methyl-1H-indole-3-carbaldehyde,Cn1cc(C=O)c2ccccc12,Cn1cc(C=O)c2ccccc12,"InChI=1/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3",C10H9NO,,,,,,KXYBYRKRRGSZCX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.853,242-755-0,19014-41-6,"1-[2-(ethylpropylamino)ethyl]-1,1-dimethylhydrazinium chloride","1-{2-[ethyl(propyl)amino]ethyl}-1,1-dimethyldiazanium chloride",[Cl-].CCCN(CC)CC[N+](C)(C)N,[Cl-].CCCN(CC)CC[N+](C)(C)N,"InChI=1/C9H24N3.ClH/c1-5-7-11(6-2)8-9-12(3,4)10;/h5-10H2,1-4H3;1H/q+1;/p-1",C12H22N3.Cl,,,,,,WFFPWUJDOLBPSL-UHFFFAOYSA-M,,,,,,,,,,,
100.038.859,242-761-3,19026-22-3,2-acetamido-2-deoxy-D-glucono-d-lactone,"N-[4,5-dihydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)",CC(=O)NC1C(O)C(O)C(CO)OC1=O,CC(=O)NC1C(O)C(O)C(CO)OC1=O,"InChI=1/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)",C8H13NO6,,,,,,NELQYZRSPDCGRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.864,242-767-6,19034-12-9,"Phosphoric acid, aluminium iron salt",-,[AlH3].[Fe].OP(O)(O)=O,[AlH3].[Fe].OP(O)(O)=O,"InChI=1/Al.Fe.H3O4P.3H/c;;1-5(2,3)4;;;/h;;(H3,1,2,3,4);;;/q+3;+2;;;;/rAlH3.Fe.H3O4P/c;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q+3;+2;",Al.xFe.xH3O4P,,,,,,KTLPWVDSBTUHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.463,239-025-9,14949-59-8,Cadmium bis(piperidine-1-carbodithioate),cadmium dipiperidine-1-carbodithioate,[Cd+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N2CCCCC2,[Cd+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N2CCCCC2,"InChI=1/2C6H11NS2.Cd/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2",C12H20CdN2S4,,,,,,CBRPDZBWFKLGJH-UHFFFAOYSA-L,,,,,,,,,,,
100.035.469,239-032-7,14960-06-6,Sodium N-(2-carboxyethyl)-N-dodecyl-ß-alaninate,sodium 3-[(2-carboxyethyl)(dodecyl)amino]propanoate,[Na+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],[Na+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],"InChI=1/C18H35NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;/h2-16H2,1H3,(H,20,21)(H,22,23);/q;+1/p-1",C18H35NO4.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11637,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.469,LLKGTXLYJMUQJX-UHFFFAOYSA-M,,,,,,,,,,,
100.035.470,239-033-2,14960-08-8,N-tetradecyl-ß-alanine,N-tetradecyl-beta-alanine,CCCCCCCCCCCCCCNCCC(=O)O,CCCCCCCCCCCCCCNCCC(=O)O,"InChI=1/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20/h18H,2-16H2,1H3,(H,19,20)",C17H35NO2,,,,,,HKJKXDULJBGDED-UHFFFAOYSA-N,,,,,,,,,,,
100.035.473,239-036-9,14960-63-5,1-methoxy-2-phenyl-1H-indole-3-carbaldehyde,1-methoxy-2-phenyl-1H-indole-3-carbaldehyde,COn1c(c(C=O)c2ccccc12)c3ccccc3,COn1c(c(C=O)c2ccccc12)c3ccccc3,"InChI=1/C16H13NO2/c1-19-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3",C16H13NO2,,,,,,BPVFSHVFYDLETP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.494,239-059-4,14980-92-8,Ethyl 2-bromotetradecanoate,ethyl 2-bromotetradecanoate,CCCCCCCCCCCCC(Br)C(=O)OCC,CCCCCCCCCCCCC(Br)C(=O)OCC,"InChI=1/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19-4-2/h15H,3-14H2,1-2H3",C16H31BrO2,,,,,,JQQZIRFEGUUJBP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.496,239-062-0,14982-53-7,Cholestane,cholestane,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3",C27H48,,,,,,XIIAYQZJNBULGD-LDHZKLTISA-N,,,,,,,,,,,
100.035.498,239-064-1,14983-42-7,Tris(2-methoxyethyl) orthoborate,tris(2-methoxyethyl) borate,COCCOB(OCCOC)OCCOC,COCCOB(OCCOC)OCCOC,"InChI=1/C9H21BO6/c1-11-4-7-14-10(15-8-5-12-2)16-9-6-13-3/h4-9H2,1-3H3",C9H21BO6,,,,,,IYGPXXORQKFXCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.876,241-681-6,17692-24-9,Bisoxatin,"2,2-bis(4-hydroxyphenyl)-2H-1,4-benzoxazin-3(4H)-one",Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(O)cc4,Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(O)cc4,"InChI=1/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)",C20H15NO4,,,,,,BPKUDUSVDVLOPY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.877,241-682-1,17692-30-7,Diniprofylline,"3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propane-1,2-diyl dinicotinate",CN1C(=O)N(C)c2ncn(CC(COC(=O)c3cccnc3)OC(=O)c4cccnc4)c2C1=O,CN1C(=O)N(C)c2ncn(CC(COC(=O)c3cccnc3)OC(=O)c4cccnc4)c2C1=O,"InChI=1/C22H20N6O6/c1-26-18-17(19(29)27(2)22(26)32)28(13-25-18)11-16(34-21(31)15-6-4-8-24-10-15)12-33-20(30)14-5-3-7-23-9-14/h3-10,13,16H,11-12H2,1-2H3",C22H20N6O6,,,,,,ZMXGPGZXYJCCHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.786,234-978-7,12048-26-9,"Bismuth, compound with potassium (1:3)",-,[KH].[KH].[KH].[Bi],[KH].[KH].[KH].[Bi],InChI=1/Bi.3K.3H/q+3;3*+1;;;/rBi.3HK/h;3*1H/q+3;3*+1,Bi.K,,,,,,QZFSWMUTAUXWFD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.935,264-849-0,64365-62-4,"1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(dotetracontenyl)pyrrolidine-2,5-dione","1-[2-({2-[(2-{[2-(2,5-dioxo-3-tetracont-1-en-1-ylpyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]-3-dotetracont-1-en-1-ylpyrrolidine-2,5-dione",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C98H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-82-94-92-96(105)103(98(94)107)90-88-101-86-84-99-83-85-100-87-89-102-95(104)91-93(97(102)106)81-79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h79-82,93-94,99-101H,3-78,83-92H2,1-2H3",C98H187N5O4,,,,,,NWWJZFVFMYPBAA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.936,264-850-6,64365-65-7,"4,4'-diamino-2'',6''-dichloro-3,3',5,5'-tetramethyltrityl alcohol","bis(4-amino-3,5-dimethylphenyl)(2,6-dichlorophenyl)methanol",Cc1cc(cc(C)c1N)C(O)(c2cc(C)c(N)c(C)c2)c3c(Cl)cccc3Cl,Cc1cc(cc(C)c1N)C(O)(c2cc(C)c(N)c(C)c2)c3c(Cl)cccc3Cl,"InChI=1/C23H24Cl2N2O/c1-12-8-16(9-13(2)21(12)26)23(28,20-18(24)6-5-7-19(20)25)17-10-14(3)22(27)15(4)11-17/h5-11,28H,26-27H2,1-4H3",C23H24Cl2N2O,,,,,,ZKGNNLGZTFBGLG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.939,264-853-2,64369-68-2,(S)-pyrrolidine-1-carbothioic acid,pyrrolidine-1-carbothioic S-acid,SC(=O)N1CCCC1,SC(=O)N1CCCC1,"InChI=1/C5H9NOS/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)",C5H9NOS,,,,,,URXNOJQCVQXMCT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.940,264-854-8,64375-16-2,6-(methylamino)naphthalene-2-sulphonic acid,6-(methylamino)naphthalene-2-sulfonic acid,CNc1ccc2cc(ccc2c1)S(=O)(=O)O,CNc1ccc2cc(ccc2c1)S(=O)(=O)O,"InChI=1/C11H11NO3S/c1-12-10-4-2-9-7-11(16(13,14)15)5-3-8(9)6-10/h2-7,12H,1H3,(H,13,14,15)",C11H11NO3S,,,,,,UEGNVVBWZPHEQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.944,264-859-5,64381-99-3,"9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetate","9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium acetate",CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CC(=O)[O-],CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CC(=O)[O-],"InChI=1/C28H30N2O3.C2H4O2/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-2(3)4/h9-18H,5-8H2,1-4H3;1H3,(H,3,4)",C28H31N2O3.C2H3O2,,,,,,XGRNGQGDQZQDKX-UHFFFAOYSA-M,,,,,,,,,,,
100.058.950,264-865-8,64394-27-0,"Decahydro-7,7,8a-trimethyl-1,4-methanobiphenylen-5(2H)-one","6,6,7-trimethyltetracyclo[8.2.1.0~2,9~.0~3,8~]tridecan-4-one",O=C4CC(C)(C)[C@H](C)C3C4C2C1CC(CC1)C23,O=C4CC(C)(C)[C@H](C)C3C4C2C1CC(CC1)C23,"InChI=1/C16H24O/c1-8-12-13-9-4-5-10(6-9)14(13)15(12)11(17)7-16(8,2)3/h8-10,12-15H,4-7H2,1-3H3",C16H24O,,,,,,SOSVVVYMYLXPAD-DAAMBASUSA-N,,,,,,,,,,,
100.058.954,264-870-5,64399-26-4,1-(4-chlorophenyl)cyclopentanecarbonitrile,1-(4-chlorophenyl)cyclopentanecarbonitrile,Clc1ccc(cc1)C2(CCCC2)C#N,Clc1ccc(cc1)C2(CCCC2)C#N,"InChI=1/C12H12ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2",C12H12ClN,,,,,,TXVNBTOIDITCBF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.955,264-871-0,64399-27-5,1-(p-chlorophenyl)cyclopropanecarbonitrile,1-(4-chlorophenyl)cyclopropanecarbonitrile,Clc1ccc(cc1)C2(CC2)C#N,Clc1ccc(cc1)C2(CC2)C#N,"InChI=1/C10H8ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2",C10H8ClN,,,,,,BVWSEHMDAKSWQW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.627,261-210-8,58313-69-2,"Tricyclo[2.2.1.02,6]hept-3-yl phenyl ketone","phenyl(tricyclo[2.2.1.0~2,6~]hept-3-yl)methanone",O=C(C1C2CC3C(C2)C13)c4ccccc4,O=C(C1C2CC3C(C2)C13)c4ccccc4,"InChI=1/C14H14O/c15-14(8-4-2-1-3-5-8)12-9-6-10-11(7-9)13(10)12/h1-5,9-13H,6-7H2",C14H14O,,,,,,QJCNHRCIFVUZNR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.635,261-219-7,58342-28-2,Endo-4-bicyclo[2.2.1]hept-5-en-2-yl-3-buten-2-one,4-bicyclo[2.2.1]hept-5-en-2-ylbut-3-en-2-one,CC(=O)C=CC2CC1/C=C\\C2C1,CC(=O)C=CC2CC1/C=C\C2C1,"InChI=1/C11H14O/c1-8(12)2-4-10-6-9-3-5-11(10)7-9/h2-5,9-11H,6-7H2,1H3",C11H14O,,,,,,PJNSTJMFXBGTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.639,261-223-9,58366-64-6,4-amino-5-methyl-1H-pyrimidin-2-one hydrochloride,4-amino-5-methylpyrimidin-2(1H)-one hydrochloride,Cl.CC1=CNC(=O)N=C1N,Cl.CC1=CNC(=O)N=C1N,"InChI=1/C5H7N3O.ClH/c1-3-2-7-5(9)8-4(3)6;/h2H,1H3,(H3,6,7,8,9);1H",C5H7N3O.ClH,,,,,,ANWMULVRPAUPJT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.655,261-241-7,58413-04-0,"4,5,6,7-tetrahydro-3-(4-methoxyphenyl)-1H-indazole","3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-indazole",COc1ccc(cc1)c2[nH]nc3CCCCc23,COc1ccc(cc1)c2[nH]nc3CCCCc23,"InChI=1/C14H16N2O/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h6-9H,2-5H2,1H3,(H,15,16)",C14H16N2O,,,,,,SKKOHZJNXZCTFG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.131,260-662-3,57282-45-8,"2-(2,6-dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxane","2-(2,6-dimethylhepta-1,5-dien-1-yl)-4-methyl-1,3-dioxane",C/C(C)=C\\CCC(C)=CC1OC(C)CCO1,C/C(C)=C\CCC(C)=CC1OC(C)CCO1,"InChI=1/C14H24O2/c1-11(2)6-5-7-12(3)10-14-15-9-8-13(4)16-14/h6,10,13-14H,5,7-9H2,1-4H3",C14H24O2,,,,,,TXTBETUBCFNUNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.132,260-663-9,57282-48-1,L-lysine monosalicylate,L-lysine - 2-hydroxybenzoic acid (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)c1ccccc1O,NCCCC[C@H](N)C(=O)O.OC(=O)c1ccccc1O,"InChI=1/C7H6O3.C6H14N2O2/c8-6-4-2-1-3-5(6)7(9)10;7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10);5H,1-4,7-8H2,(H,9,10)",C7H6O3.C6H14N2O2,,,,,,KZBKRARRXDZOII-ZSCHJXSPSA-N,,,,,,,,,,,
100.033.819,237-217-7,13695-31-3,"2,2,3,3,4,4,4-heptafluorobutyl methacrylate","2,2,3,3,4,4,4-heptafluorobutyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H7F7O2/c1-4(2)5(16)17-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3",C8H7F7O2,,,,,,VIEHKBXCWMMOOU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.821,237-219-8,13698-49-2,Delmadinone acetate,"6-chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3",C23H27ClO4,,,,,,CGBCCZZJVKUAMX-DFXBJWIESA-N,,,,,,,,,,,
100.033.823,237-221-9,13698-89-0,"1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)anthraquinone","1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)-9,10-anthraquinone",COc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N,COc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N,"InChI=1/C21H16N2O5/c1-28-10-4-2-9(3-5-10)11-8-14(25)17-18(19(11)23)21(27)16-13(24)7-6-12(22)15(16)20(17)26/h2-8,24-25H,22-23H2,1H3",C21H16N2O5,,,,,,XDWMUDQKNPIWDS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.835,237-235-5,13703-82-7,Magnesium metaborate,magnesium metaborate,[Mg+2].[O-]B=O.[O-]B=O,[Mg+2].[O-]B=O.[O-]B=O,InChI=1/2BO2.Mg/c2*2-1-3;/q2*-1;+2,BHO2.1/2Mg,,,,,,LOCZQLKNTOXJDV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.836,237-236-0,13703-84-9,Strontium metaborate,strontium metaborate,[Sr+2].[O-]B=O.[O-]B=O,[Sr+2].[O-]B=O.[O-]B=O,InChI=1/2BO2.Sr/c2*2-1-3;/q2*-1;+2,BHO2.1/2Sr,,,,,,UIPNVCZMXRSSMM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.844,237-244-4,13707-88-5,Alprenolol hydrochloride,1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride,Cl.CC(C)NCC(O)COc1ccccc1CC=C,Cl.CC(C)NCC(O)COc1ccccc1CC=C,"InChI=1/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H",C15H23NO2.ClH,,,,,,RRCPAXJDDNWJBI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.851,237-252-8,13709-38-1,Lanthanum fluoride,lanthanum trifluoride,[F-].[F-].[F-].[La+3],[F-].[F-].[F-].[La+3],InChI=1/3FH.La/h3*1H;/q;;;+3/p-3,F3La,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11034,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.851,BYMUNNMMXKDFEZ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.855,237-257-5,13709-49-4,Yttrium trifluoride,yttrium trifluoride,[F-].[F-].[F-].[Y+3],[F-].[F-].[F-].[Y+3],InChI=1/3FH.Y/h3*1H;/q;;;+3/p-3,F3Y,,,,,,RBORBHYCVONNJH-UHFFFAOYSA-K,,,,,,,,,,,
100.036.928,240-637-3,16577-52-9,Lithium octanoate,lithium octanoate,[Li+].CCCCCCCC(=O)[O-],[Li+].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Li/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",C8H16O2.Li,,,,,,BTAUEIDLAAYHSL-UHFFFAOYSA-M,,,,,,,,,,,
100.036.934,240-644-1,16588-06-0,4-chloro-3-nitrobenzamide,4-chloro-3-nitrobenzamide,NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)",C7H5ClN2O3,,,,,,CGXRJCDXGJRBHV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.935,240-645-7,16588-34-4,4-chloro-3-nitrobenzaldehyde,4-chloro-3-nitrobenzaldehyde,[O-][N+](=O)c1cc(C=O)ccc1Cl,[O-][N+](=O)c1cc(C=O)ccc1Cl,InChI=1/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H,C7H4ClNO3,,,,,,HETBKLHJEWXWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.938,240-648-3,16589-43-8,Sodium methylsilanetriolate,trisodium methylsilanetriolate,[Na+].[Na+].[Na+].C[Si]([O-])([O-])[O-],[Na+].[Na+].[Na+].C[Si]([O-])([O-])[O-],"InChI=1/CH3O3Si.3Na/c1-5(2,3)4;;;/h1H3;;;/q-3;3*+1",CH6O3Si.xNa,,,,,,TYWKEXJQDDWAAM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.941,240-652-5,16595-48-5,"2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)hepta-1,3,5-trienyl]-1,3,3-trimethyl-3H-indolium perchlorate","1,3,3-trimethyl-2-[7-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3H-indolium perchlorate",[O-]Cl(=O)(=O)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=CC=CC=CC=C3N(C)c2ccccc2C3(C)C,[O-]Cl(=O)(=O)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=CC=CC=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C29H33N2.ClHO4/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;2-1(3,4)5/h7-21H,1-6H3;(H,2,3,4,5)/q+1;/p-1",C29H33N2.ClO4,,,,,,NHQOULZCPKJYMM-UHFFFAOYSA-M,,,,,,,,,,,
100.036.945,240-656-7,16600-92-3,2-nitrophloroglucinol,"2-nitrobenzene-1,3,5-triol",Oc1cc(O)c(c(O)c1)[N+](=O)[O-],Oc1cc(O)c(c(O)c1)[N+](=O)[O-],"InChI=1/C6H5NO5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H",C6H5NO5,,,,,,QSVQZFVXAUGEMT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.949,240-660-9,16611-15-7,4-chloro-2-nitro-N-phenylaniline,4-chloro-2-nitro-N-phenylaniline,[O-][N+](=O)c1cc(Cl)ccc1Nc2ccccc2,[O-][N+](=O)c1cc(Cl)ccc1Nc2ccccc2,"InChI=1/C12H9ClN2O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H",C12H9ClN2O2,,,,,,GYOVQZDXSHTPBS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.953,240-665-6,16617-46-2,5-aminopyrazole-4-carbonitrile,3-amino-1H-pyrazole-4-carbonitrile,Nc1n[nH]cc1C#N,Nc1n[nH]cc1C#N,"InChI=1/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)",C4H4N4,,,,,,FFNKBQRKZRMYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.543,238-014-6,14170-43-5,"Sodium 3-aminonaphthalene-1,5-disulphonate","disodium 3-aminonaphthalene-1,5-disulfonate",[Na+].[Na+].Nc1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.2Na/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H9NO6S2.2Na,,,,,,UZUODNWWWUQRIR-UHFFFAOYSA-L,,,,,,,,,,,
100.034.544,238-015-1,14171-00-7,"N-dodecyl-ß-alanine, compound with 2,2',2''-nitrilotriethanol (1:1)","N-dodecyl-beta-alanine - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCNCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCNCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C15H31NO2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;8-4-1-7(2-5-9)3-6-10/h16H,2-14H2,1H3,(H,17,18);8-10H,1-6H2",C15H31NO2.C6H15NO3,,,,,,CVZYWFZBNHBFDS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.553,238-025-6,14173-61-6,[(nitroimino)bis[methylene(nitroimino)]]dimethyl dinitrate,(nitroimino)bis[methylene(nitroimino)methylene] dinitrate,[O-][N+](=O)OCN(CN(CN(CO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)OCN(CN(CN(CO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1/C4H8N8O12/c13-8(14)5(1-6(9(15)16)3-23-11(19)20)2-7(10(17)18)4-24-12(21)22/h1-4H2,C4H8N8O12,,,,,,BHPZBCWRQHQTKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.556,238-028-2,14176-10-4,Cetiedil,2-azepan-1-ylethyl cyclohexyl(3-thienyl)acetate,O=C(OCCN1CCCCCC1)C(C2CCCCC2)c3ccsc3,O=C(OCCN1CCCCCC1)C(C2CCCCC2)c3ccsc3,"InChI=1/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2",C20H31NO2S,,,,,,MMNICIJVQJJHHF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.557,238-029-8,14176-13-7,2-hydroxyhexacosanoic acid,2-hydroxyhexacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O,"InChI=1/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29/h25,27H,2-24H2,1H3,(H,28,29)",C26H52O3,,,,,,IFYDZTDBJZWEPK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.565,238-038-7,14186-20-0,"7,8-didehydro-6a-hydroxy-4,5a-epoxy-17-methyl-3-(2-morpholinoethoxy)morphinan bis(phosphate)","17-methyl-3-(2-morpholin-4-ylethoxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol bis(phosphate) (salt)",OP(O)(=O)O.OP(O)(=O)O.O[C@H]2\\C=C/[C@H]6[C@H]3Cc4ccc(OCCN1CCOCC1)c5O[C@@H]2[C@]6(CCN3C)c45,OP(O)(=O)O.OP(O)(=O)O.O[C@H]2\C=C/[C@H]6[C@H]3Cc4ccc(OCCN1CCOCC1)c5O[C@@H]2[C@]6(CCN3C)c45,"InChI=1/C23H30N2O4.2H3O4P/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25;2*1-5(2,3)4/h2-5,16-18,22,26H,6-14H2,1H3;2*(H3,1,2,3,4)",C23H30N2O4.2H3O4P,,,,,,QMYZWDGWXUFPMQ-GLIKYNQJSA-N,,,,,,,,,,,
100.034.568,238-041-3,14187-32-7,"Dibenzo[a,j]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene","6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine",C1COc2ccccc2OCCOCCOc3ccccc3OCCO1,C1COc2ccccc2OCCOCCOc3ccccc3OCCO1,"InChI=1/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2",C20H24O6,,,,,,YSSSPARMOAYJTE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.570,238-043-4,14190-16-0,Tetramethylammonium sulphate (2:1),"bis(N,N,N-trimethylmethanaminium) sulfate",C[N+](C)(C)C.C[N+](C)(C)C.[O-]S(=O)(=O)[O-],C[N+](C)(C)C.C[N+](C)(C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C4H12N.H2O4S/c3*1-5(2,3)4/h2*1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C4H12N.1/2O4S,,,,,,KJFVITRRNTVAPC-UHFFFAOYSA-L,,,,,,,,,,,
100.034.572,238-046-0,14191-95-8,4-hydroxyphenylacetonitrile,(4-hydroxyphenyl)acetonitrile,Oc1ccc(CC#N)cc1,Oc1ccc(CC#N)cc1,"InChI=1/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2",C8H7NO,,,,,,AYKYOOPFBCOXSL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.291,242-137-0,18263-25-7,2-bromopalmitic acid,2-bromohexadecanoic acid,CCCCCCCCCCCCCCC(Br)C(=O)O,CCCCCCCCCCCCCCC(Br)C(=O)O,"InChI=1/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)",C16H31BrO2,,,,,,DPRAYRYQQAXQPE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.292,242-138-6,18264-71-6,2-nitro-N-(2-nitrophenyl)aniline,2-nitro-N-(2-nitrophenyl)aniline,[O-][N+](=O)c1ccccc1Nc2ccccc2[N+](=O)[O-],[O-][N+](=O)c1ccccc1Nc2ccccc2[N+](=O)[O-],"InChI=1/C12H9N3O4/c16-14(17)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15(18)19/h1-8,13H",C12H9N3O4,,,,,,RENCFAVKFWOLJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.297,242-143-3,18266-50-7,"1-(2,2-diethoxyethoxy)hexane","1-(2,2-diethoxyethoxy)hexane",CCCCCCOCC(OCC)OCC,CCCCCCOCC(OCC)OCC,"InChI=1/C12H26O3/c1-4-7-8-9-10-13-11-12(14-5-2)15-6-3/h12H,4-11H2,1-3H3",C12H26O3,,,,,,JZUZJJCWIKMTAO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.298,242-144-9,18266-52-9,"2-nitrobenzene-1,4-diamine dihydrochloride","2-nitrobenzene-1,4-diamine dihydrochloride",Cl.Cl.Nc1ccc(N)c(c1)[N+](=O)[O-],Cl.Cl.Nc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C6H7N3O2.2ClH/c7-4-1-2-5(8)6(3-4)9(10)11;;/h1-3H,7-8H2;2*1H",C6H7N3O2.2ClH,,,,,,VTJQZXFQQIDLRW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.299,242-145-4,18266-55-2,N-(2-hydroxyethyl)propionamide,N-(2-hydroxyethyl)propanamide,CCC(=O)NCCO,CCC(=O)NCCO,"InChI=1/C5H11NO2/c1-2-5(8)6-3-4-7/h7H,2-4H2,1H3,(H,6,8)",C5H11NO2,,,,,,GQKLTNAIFDFUDN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.312,242-160-6,18282-59-2,"4-bromo-1,2-dichlorobenzene","4-bromo-1,2-dichlorobenzene",Clc1ccc(Br)cc1Cl,Clc1ccc(Br)cc1Cl,InChI=1/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H,C6H3BrCl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5735,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.312,CFPZDVAZISWERM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.320,242-169-5,18293-53-3,(trimethylsilyl)acetonitrile,(trimethylsilyl)acetonitrile,C[Si](C)(C)CC#N,C[Si](C)(C)CC#N,"InChI=1/C5H11NSi/c1-7(2,3)5-4-6/h5H2,1-3H3",C5H11NSi,,,,,,WJKMUGYQMMXILX-UHFFFAOYSA-N,,,,,,,,,,,
100.031.801,234-994-4,12052-62-9,"Cobalt, compound with yttrium (3:1)",cobalt - yttrium (3:1),[Co].[Co].[Co].[Y],[Co].[Co].[Co].[Y],InChI=1/3Co.Y/q3*+2;+3,Co.Y,,,,,,XCVRELCYAAQUGI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.811,235-005-9,12054-21-6,"Antimony, compound with copper (1:2)",-,[Cu].[Cu].[Sb],[Cu].[Cu].[Sb],InChI=1/2Cu.Sb/q2*+1;+3,Cu.Sb,,,,,,FLBFYPUBYVHESI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.813,235-008-5,12054-48-7,Nickel dihydroxide,nickel(2+) dihydroxide,[OH-].[OH-].[Ni+2],[OH-].[OH-].[Ni+2],InChI=1/Ni.2H2O/h;2*1H2/q+2;;/p-2,H2NiO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15359,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.813,BFDHFSHZJLFAMC-UHFFFAOYSA-L,,,,,,,,,,,
100.038.871,242-774-4,19041-66-8,"17ß-hydroxyandrosta-1,4-dien-3-one benzoate","3-oxoandrosta-1,4-dien-17-yl benzoate",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5,"InChI=1/C26H30O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,12,14,16,20-23H,8-11,13,15H2,1-2H3",C26H30O3,,,,,,QYOIZDDZJSQWGQ-IXKNJLPQSA-N,,,,,,,,,,,
100.038.874,242-778-6,19045-75-1,Dipotassium hexadecyl phosphate,dipotassium hexadecyl phosphate,[K+].[K+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[K+].[K+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C16H35O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;/q;2*+1/p-2",C16H35O4P.2K,,,,,,CNXJITYCNQNTBD-UHFFFAOYSA-L,,,,,,,,,,,
100.039.000,242-917-0,19249-04-8,Bis[2-(dimethylamino)ethyl] succinate,bis[2-(dimethylamino)ethyl] succinate,CN(C)CCOC(=O)CCC(=O)OCCN(C)C,CN(C)CCOC(=O)CCC(=O)OCCN(C)C,"InChI=1/C12H24N2O4/c1-13(2)7-9-17-11(15)5-6-12(16)18-10-8-14(3)4/h5-10H2,1-4H3",C12H24N2O4,,,,,,JSINVKLVDNFTSU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.004,242-921-2,19255-82-4,"1,1-dibutoxyacetone","1,1-dibutoxyacetone",CCCCOC(OCCCC)C(=O)C,CCCCOC(OCCCC)C(=O)C,"InChI=1/C11H22O3/c1-4-6-8-13-11(10(3)12)14-9-7-5-2/h11H,4-9H2,1-3H3",C11H22O3,,,,,,HCSCGYDLFNSHLE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.007,242-924-9,19259-11-1,Tetraiodothiophene,tetraiodothiophene,Ic1sc(I)c(I)c1I,Ic1sc(I)c(I)c1I,InChI=1/C4I4S/c5-1-2(6)4(8)9-3(1)7,C4I4S,,,,,,VWDOXSASHQWCRB-UHFFFAOYSA-N,,,,,,,,,,,
100.039.008,242-925-4,19259-90-6,[2H3]acetyl chloride,acetyl chloride,CC(=O)Cl,CC(=O)Cl,InChI=1/C2H3ClO/c1-2(3)4/h1H3,C2ClD3O,,,,,,WETWJCDKMRHUPV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.009,242-927-5,19262-92-1,"Diphosphoric acid, zinc salt",zinc dihydrogen diphosphate,[Zn+2].OP(=O)(O)OP(=O)([O-])[O-],[Zn+2].OP(=O)(O)OP(=O)([O-])[O-],"InChI=1/H4O7P2.Zn/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);/q;+2/p-2",H4O7P2.xZn,,,,,,RPRMAEUXQLFUQL-UHFFFAOYSA-L,,,,,,,,,,,
100.039.012,242-930-1,19277-88-4,Trimethyl-3-[(1-oxooctadecyl)amino]propylammonium methyl sulphate,"N,N,N-trimethyl-3-(stearoylamino)propan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C24H50N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-6(2,3)4/h5-23H2,1-4H3;1H3,(H,2,3,4)",C24H51N2O.CH3O4S,,,,,,YWOAEHAIHZVTFA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.013,242-931-7,19277-91-9,Sodium p-ethylphenolate,sodium 4-ethylphenolate,[Na+].CCc1ccc([O-])cc1,[Na+].CCc1ccc([O-])cc1,"InChI=1/C8H10O.Na/c1-2-7-3-5-8(9)6-4-7;/h3-6,9H,2H2,1H3;/q;+1/p-1",C8H10O.Na,,,,,,CJAHZFPECKDBKK-UHFFFAOYSA-M,,,,,,,,,,,
100.039.014,242-932-2,19281-29-9,Aptocaine,N-(2-methylphenyl)-2-pyrrolidin-1-ylpropanamide,CC(N1CCCC1)C(=O)Nc2ccccc2C,CC(N1CCCC1)C(=O)Nc2ccccc2C,"InChI=1/C14H20N2O/c1-11-7-3-4-8-13(11)15-14(17)12(2)16-9-5-6-10-16/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17)",C14H20N2O,,,,,,WJOQWLQQCYYQBE-UHFFFAOYSA-N,,,,,,,,,,,
100.039.024,242-943-2,19289-77-1,"Estr-5-ene-3,17-dione","estr-5-ene-3,17-dione",C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@@H]1CCC2=O,C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@@H]1CCC2=O,"InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,13-16H,3-10H2,1H3",C18H24O2,,,,,,WELNRNVZXWUOGT-QXUSFIETSA-N,,,,,,,,,,,
100.039.026,242-945-3,19291-02-2,(±)-thiazolidine-4-carboxylic acid,"1,3-thiazolidine-4-carboxylic acid",OC(=O)C1CSCN1,OC(=O)C1CSCN1,"InChI=1/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)",C4H7NO2S,,,,,,DZLNHFMRPBPULJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.031,242-951-6,19303-34-5,"1,1',1''-(1,3,5,5-tetramethylpent-1-ene-1,3,5-triyl)tribenzene","1,1',1''-(4,6-dimethylhept-2-ene-2,4,6-triyl)tribenzene",CC(C)(CC(C)(C=C(C)c1ccccc1)c2ccccc2)c3ccccc3,CC(C)(CC(C)(C=C(C)c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C27H30/c1-22(23-14-8-5-9-15-23)20-27(4,25-18-12-7-13-19-25)21-26(2,3)24-16-10-6-11-17-24/h5-20H,21H2,1-4H3",C27H30,,,,,,LEOZNBAZHMBUST-UHFFFAOYSA-N,,,,,,,,,,,
100.039.034,242-954-2,19309-90-1,"3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propyl methacrylate","3-{1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl}propyl methacrylate",CC(=C)C(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,CC(=C)C(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C14H32O4Si3/c1-13(2)14(15)16-11-10-12-21(9,17-19(3,4)5)18-20(6,7)8/h1,10-12H2,2-9H3",C14H32O4Si3,,,,,,HBOYQHJSMXAOKY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.135,260-667-0,57297-16-2,"(S)-[(6,7-dichloro-2,3-dihydro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy]acetic acid","[(6,7-dichloro-2-methyl-1-oxo-2-phenyl-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid",C[C@]1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)c3ccccc3,C[C@]1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)c3ccccc3,"InChI=1/C18H14Cl2O4/c1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23/h2-7H,8-9H2,1H3,(H,21,22)",C18H14Cl2O4,,,,,,PRKWVSHZYDOZLP-SFHVURJKSA-N,,,,,,,,,,,
100.055.136,260-668-6,57302-22-4,"3,3'-(phenylimino)bispropane-1,2-diol","3,3'-(phenylimino)dipropane-1,2-diol",OCC(O)CN(CC(O)CO)c1ccccc1,OCC(O)CN(CC(O)CO)c1ccccc1,"InChI=1/C12H19NO4/c14-8-11(16)6-13(7-12(17)9-15)10-4-2-1-3-5-10/h1-5,11-12,14-17H,6-9H2",C12H19NO4,,,,,,ZLWISTXMEPFPSK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.150,260-683-8,57331-14-3,"6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)","6,9-difluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate",CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP(=O)(O)O,CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP(=O)(O)O,"InChI=1/C21H27F2O8P/c1-18-5-3-11(24)7-14(18)15(22)8-13-12-4-6-20(27,17(26)10-31-32(28,29)30)19(12,2)9-16(25)21(13,18)23/h3,5,7,12-13,15-16,25,27H,4,6,8-10H2,1-2H3,(H2,28,29,30)",C21H27F2O8P,,,,,,PTFJOVUOXOHPIW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.152,260-685-9,57342-02-6,2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pentyl]-2-methyloxirane,2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pentyl]-2-methyloxirane,CCC(CCOc1ccc(CC)cc1)CCC2OC2(C)CC,CCC(CCOc1ccc(CC)cc1)CCC2OC2(C)CC,"InChI=1/C20H32O2/c1-5-16-8-11-18(12-9-16)21-15-14-17(6-2)10-13-19-20(4,7-3)22-19/h8-9,11-12,17,19H,5-7,10,13-15H2,1-4H3",C20H32O2,,,,,,YHDXOFFTMOZZPE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.153,260-686-4,57345-19-4,"Dodecahydro-3,8,8,11a-tetramethyl-5H-3,5a-epoxynaphth[2,1-c]oxepin","3,8,8,11a-tetramethyldodecahydro-3,5a-epoxynaphtho[2,1-c]oxepine",CC1(C)CCCC2(C)C1CCC34COC(C)(CCC23)O4,CC1(C)CCCC2(C)C1CCC34COC(C)(CCC23)O4,"InChI=1/C18H30O2/c1-15(2)8-5-9-16(3)13(15)7-11-18-12-19-17(4,20-18)10-6-14(16)18/h13-14H,5-12H2,1-4H3",C18H30O2,,,,,,PHNCACYNYORRNS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.163,260-697-4,57359-17-8,"1-[(2,3-dihydro-5-benzofuranyl)methyl]-4-thiazol-2-ylpiperazinium chloride","1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(1,3-thiazol-2-yl)piperazin-1-ium chloride",[Cl-].C([NH+]1CCN(CC1)c2nccs2)c3ccc4OCCc4c3,[Cl-].C([NH+]1CCN(CC1)c2nccs2)c3ccc4OCCc4c3,"InChI=1/C16H19N3OS.ClH/c1-2-15-14(3-9-20-15)11-13(1)12-18-5-7-19(8-6-18)16-17-4-10-21-16;/h1-2,4,10-11H,3,5-9,12H2;1H",C16H19N3OS.ClH,,,,,,ZPWJKCKRQHIQNM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.169,260-705-6,57375-45-8,1-(2-hydroxy-5-tert-nonylphenyl)ethan-1-one,"1-[2-hydroxy-5-(1,1,2,3,3-pentamethylbutyl)phenyl]ethanone",CC(C(C)(C)C)C(C)(C)c1ccc(O)c(c1)C(=O)C,CC(C(C)(C)C)C(C)(C)c1ccc(O)c(c1)C(=O)C,"InChI=1/C17H26O2/c1-11(18)14-10-13(8-9-15(14)19)17(6,7)12(2)16(3,4)5/h8-10,12,19H,1-7H3",C17H26O2,,,,,,UNHBYIOMUOBEIM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.069,262-796-8,61443-58-1,N-[2-(ß-D-glucopyranosyloxy)-5-nitrophenyl]palmitamide,N-[2-(beta-D-glucopyranosyloxy)-5-nitrophenyl]hexadecanamide,CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[N+](=O)[O-],CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[N+](=O)[O-],"InChI=1/C28H46N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)29-21-18-20(30(36)37)16-17-22(21)38-28-27(35)26(34)25(33)23(19-31)39-28/h16-18,23,25-28,31,33-35H,2-15,19H2,1H3,(H,29,32)",C28H46N2O9,,,,,,VQANZNCUHNPTGV-TWHDSSIESA-N,,,,,,,,,,,
100.057.071,262-798-9,61444-39-1,(Z)-hex-3-enyl heptanoate,hex-3-en-1-yl heptanoate,CCCCCCC(=O)OCC\\C=C/CC,CCCCCCC(=O)OCC\C=C/CC,"InChI=1/C13H24O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h6,8H,3-5,7,9-12H2,1-2H3",C13H24O2,,,,,,KBBLMMCEHYHHIW-VURMDHGXSA-N,,,,,,,,,,,
100.057.076,262-803-4,61464-03-7,Trimethoxy(3-phenoxypropyl)silane,trimethoxy(3-phenoxypropyl)silane,CO[Si](CCCOc1ccccc1)(OC)OC,CO[Si](CCCOc1ccccc1)(OC)OC,"InChI=1/C12H20O4Si/c1-13-17(14-2,15-3)11-7-10-16-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3",C12H20O4Si,,,,,,VUHPZDVFOAYSLG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.080,262-808-1,61470-34-6,Butyl 3-(trichlorostannyl)propionate,butyl 3-(trichlorostannyl)propanoate,CCCCOC(=O)CC[Sn](Cl)(Cl)Cl,CCCCOC(=O)CC[Sn](Cl)(Cl)Cl,"InChI=1/C7H13O2.3ClH.Sn/c1-3-5-6-9-7(8)4-2;;;;/h2-6H2,1H3;3*1H;/q;;;;+3/p-3/rC7H13Cl3O2Sn/c1-2-3-5-12-7(11)4-6-13(8,9)10/h2-6H2,1H3",C7H13Cl3O2Sn,,,,,,KKIZJTLMVRCRAA-UHFFFAOYSA-K,,,,,,,,,,,
100.036.956,240-668-2,16619-19-5,4-(1-oxo-3-phenylallyl)morpholine,4-cinnamoylmorpholine,O=C(\\C=C\\c1ccccc1)N2CCOCC2,O=C(\C=C\c1ccccc1)N2CCOCC2,"InChI=1/C13H15NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2",C13H15NO2,,,,,,AXICCPYRMWRPMS-VOTSOKGWSA-N,,,,,,,,,,,
100.038.600,242-476-4,18643-86-2,Dimethyl 2-bromoterephthalate,dimethyl 2-bromoterephthalate,COC(=O)c1ccc(C(=O)OC)c(Br)c1,COC(=O)c1ccc(C(=O)OC)c(Br)c1,"InChI=1/C10H9BrO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3",C10H9BrO4,,,,,,VUMPFOPENBVFOF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.606,242-483-2,18658-79-2,"2',(2')'-diethylideneoxalohydrazide","N'~1~,N'~2~-diethylideneethanedihydrazide",CC=NNC(=O)C(=O)NN=CC,CC=NNC(=O)C(=O)NN=CC,"InChI=1/C6H10N4O2/c1-3-7-9-5(11)6(12)10-8-4-2/h3-4H,1-2H3,(H,9,11)(H,10,12)",C6H10N4O2,,,,,,IHCXIZWUAAKWPN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.610,242-487-4,18666-68-7,Triphenylvinylsilane,(triphenylvinyl)silane,[SiH3]C(=C(c1ccccc1)c2ccccc2)c3ccccc3,[SiH3]C(=C(c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C20H18Si/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,21H3",C20H18Si,,,,,,CXBVAHVESCMCCH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.611,242-489-5,18667-21-5,1-(2-methoxy-2-oxoethyl)pyridinium chloride,1-(2-methoxy-2-oxoethyl)pyridinium chloride,[Cl-].COC(=O)C[n+]1ccccc1,[Cl-].COC(=O)C[n+]1ccccc1,"InChI=1/C8H10NO2.ClH/c1-11-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1",C8H10NO2.Cl,,,,,,NARUMFSATWTJPE-UHFFFAOYSA-M,,,,,,,,,,,
100.038.614,242-492-1,18675-16-6,"(,5Z)-2,6-dimethylocta-3,5-dien-2-ol","2,6-dimethylocta-3,5-dien-2-ol",CCC(=CC=CC(C)(C)O)C,CCC(=CC=CC(C)(C)O)C,"InChI=1/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h6-8,11H,5H2,1-4H3",C10H18O,,,,,,BOGURUDKGWMRHN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.624,242-504-5,18686-82-3,"1,3,4-thiadiazole-2(3H)-thione","1,3,4-thiadiazole-2(3H)-thione",S=C1NN=CS1,S=C1NN=CS1,"InChI=1/C2H2N2S2/c5-2-4-3-1-6-2/h1H,(H,4,5)",C2H2N2S2,,,,,,JLAMDELLBBZOOX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.757,242-649-4,18899-64-4,Ethylenebis[phenylphosphine],"ethane-1,2-diylbis(phenylphosphine)",C(CPc1ccccc1)Pc2ccccc2,C(CPc1ccccc1)Pc2ccccc2,"InChI=1/C14H16P2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",C14H16P2,,,,,,VBXSERPGINMTDE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.864,237-266-4,13716-12-6,"Tris(1,1-dimethylethyl)phosphine",tri-tert-butylphosphine,CC(C)(C)P(C(C)(C)C)C(C)(C)C,CC(C)(C)P(C(C)(C)C)C(C)(C)C,"InChI=1/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3",C12H27P,,,,,,BWHDROKFUHTORW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.866,237-269-0,13716-91-1,"1,5-diamino-4,8-dihydroxy-2-(4-hydroxyphenyl)anthraquinone","1,5-diamino-4,8-dihydroxy-2-(4-hydroxyphenyl)-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)c(cc(O)c3C(=O)c12)c4ccc(O)cc4,Nc1ccc(O)c2C(=O)c3c(N)c(cc(O)c3C(=O)c12)c4ccc(O)cc4,"InChI=1/C20H14N2O5/c21-11-5-6-12(24)15-14(11)19(26)16-13(25)7-10(18(22)17(16)20(15)27)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2",C20H14N2O5,,,,,,OXLITIGRBOEDEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.874,237-277-4,13718-55-3,Barium chloride fluoride,barium chloride fluoride,[F-].[Cl-].[Ba+2],[F-].[Cl-].[Ba+2],InChI=1/Ba.ClH.FH/h;2*1H/q+2;;/p-2,BaClF,,,,,,RBRFDGCVTRKUEW-UHFFFAOYSA-L,,,,,,,,,,,
100.035.375,238-929-0,14860-64-1,4-azidoaniline,4-azidoaniline,Nc1ccc(cc1)N=[N+]=[N-],Nc1ccc(cc1)N=[N+]=[N-],"InChI=1/C6H6N4/c7-5-1-3-6(4-2-5)9-10-8/h1-4H,7H2",C6H6N4,,,,,,SSMVDPYHLFEAJE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.382,238-936-9,14866-33-2,Tetraoctylammonium bromide,"N,N,N-trioctyloctan-1-aminium bromide",[Br-].CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,[Br-].CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,"InChI=1/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1",C32H68N.Br,,,,,,QBVXKDJEZKEASM-UHFFFAOYSA-M,,,,,,,,,,,
100.035.391,238-946-3,14874-78-3,Dinickel hexacyanoferrate,dinickel hexacyanoferrate,[Ni+2].[Ni+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,[Ni+2].[Ni+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Fe.2Ni/c6*1-2;;;/q;;;;;;;2*+2/rC6FeN6.2Ni/c8-1-7(2-9,3-10,4-11,5-12)6-13;;/q;2*+2",C6FeN6.2Ni,,,,,,WKVOGAHFEHUUOW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.393,238-948-4,14874-86-3,Beryllium diammonium tetrafluoride,beryllium diammonium tetrafluoride,[Be+2].[NH4+].[NH4+].[F-].[F-].[F-].[F-],[Be+2].[NH4+].[NH4+].[F-].[F-].[F-].[F-],InChI=1/Be.4FH.2H3N/h;4*1H;2*1H3/q+2;;;;;;/p-2,BeF4.2H4N,,,,,,BZNAXXLFJPTIDH-UHFFFAOYSA-L,,,,,,,,,,,
100.035.406,238-963-6,14888-58-5,"3,3a,4,6,7,7a-hexahydro-4,7-methano-5H-inden-5-one","3,3a,4,6,7,7a-hexahydro-5H-4,7-methanoinden-5-one",O=C1CC2CC1C3CC=CC23,O=C1CC2CC1C3CC=CC23,"InChI=1/C10H12O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-9H,3-5H2",C10H12O,,,,,,BNISRVGIGGHBIM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.705,234-889-3,12039-31-5,"Antimony, compound with terbium (1:1)",-,[Sb].[Tb],[Sb].[Tb],InChI=1/Sb.Tb/q2*+3,Sb.Tb,,,,,,FOYOVPODKSVTNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.331,242-181-0,18299-54-2,2-aminoethylammonium chloride,2-aminoethanaminium chloride,[Cl-].NCC[NH3+],[Cl-].NCC[NH3+],InChI=1/C2H8N2.ClH/c3-1-2-4;/h1-4H2;1H,C2H8N2.ClH,,,,,,HCFPRFJJTHMING-UHFFFAOYSA-N,,,,,,,,,,,
100.038.332,242-182-6,18299-85-9,Docosyl acrylate,docosyl acrylate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25(26)4-2/h4H,2-3,5-24H2,1H3",C25H48O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13123,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.332,KHAYCTOSKLIHEP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.337,242-187-3,18304-13-7,Octakis-O-(2-cyanoethyl)sucrose,"1,3,4,6-tetrakis-O-(2-cyanoethyl)hex-2-ulofuranosyl 2,3,4,6-tetrakis-O-(2-cyanoethyl)hexopyranoside",N#CCCOCC1OC(OC2(COCCC#N)OC(COCCC#N)C(OCCC#N)C2OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N,N#CCCOCC1OC(OC2(COCCC#N)OC(COCCC#N)C(OCCC#N)C2OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N,"InChI=1/C36H46N8O11/c37-9-1-17-45-25-28-30(48-20-4-12-40)32(50-22-6-14-42)33(51-23-7-15-43)35(53-28)55-36(27-47-19-3-11-39)34(52-24-8-16-44)31(49-21-5-13-41)29(54-36)26-46-18-2-10-38/h28-35H,1-8,17-27H2",C36H46N8O11,,,,,,XCKPLVGWGCWOMD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.207,237-643-3,13878-54-1,Zinc bis(piperidine-1-carbodithioate),zinc dipiperidine-1-carbodithioate,[Zn+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N2CCCCC2,[Zn+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N2CCCCC2,"InChI=1/2C6H11NS2.Zn/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2",C12H20N2S4Zn,,,,,,YBKBEKGVHFHCRI-UHFFFAOYSA-L,,,,,,,,,,,
100.034.209,237-645-4,13880-05-2,"N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]acrylamide","N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]acrylamide",OCC(CO)(CO)NC(=O)C=C,OCC(CO)(CO)NC(=O)C=C,"InChI=1/C7H13NO4/c1-2-6(12)8-7(3-9,4-10)5-11/h2,9-11H,1,3-5H2,(H,8,12)",C7H13NO4,,,,,,MVBJSQCJPSRKSW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.210,237-647-5,13881-14-6,3-methyl-4-phenylbutyraldehyde,3-methyl-4-phenylbutanal,CC(CC=O)Cc1ccccc1,CC(CC=O)Cc1ccccc1,"InChI=1/C11H14O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3",C11H14O,,,,,,GNQAZNILNLQRJV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.212,237-649-6,13881-91-9,Aminomethanesulphonic acid,aminomethanesulfonic acid,NCS(=O)(=O)O,NCS(=O)(=O)O,"InChI=1/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)",CH5NO3S,,,,,,OBESRABRARNZJB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.214,237-651-7,13886-99-2,9-icosyl-9-phosphabicyclo[4.2.1]nonane,9-icosyl-9-phosphabicyclo[4.2.1]nonane,CCCCCCCCCCCCCCCCCCCCP1C2CCCCC1CC2,CCCCCCCCCCCCCCCCCCCCP1C2CCCCC1CC2,"InChI=1/C28H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-29-27-22-19-20-23-28(29)25-24-27/h27-28H,2-26H2,1H3",C28H55P,,,,,,UNOOEFGBOLKBFW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.220,237-658-5,13889-96-8,S-octyl chlorothioformate,S-octyl chlorothiocarbonate,CCCCCCCCSC(=O)Cl,CCCCCCCCSC(=O)Cl,"InChI=1/C9H17ClOS/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3",C9H17ClOS,,,,,,AADUTVXTSYIBNU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.228,237-666-9,13897-55-7,"4-methylcyclohexane-1,3-diamine","4-methylcyclohexane-1,3-diamine",CC1CCC(N)CC1N,CC1CCC(N)CC1N,"InChI=1/C7H16N2/c1-5-2-3-6(8)4-7(5)9/h5-7H,2-4,8-9H2,1H3",C7H16N2,,,,,,QTKDDPSHNLZGRO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.230,237-669-5,13898-68-5,"3-ethoxy-N,N-diethyl-4-hydroxybenzamide","3-ethoxy-N,N-diethyl-4-hydroxybenzamide",CCOc1cc(ccc1O)C(=O)N(CC)CC,CCOc1cc(ccc1O)C(=O)N(CC)CC,"InChI=1/C13H19NO3/c1-4-14(5-2)13(16)10-7-8-11(15)12(9-10)17-6-3/h7-9,15H,4-6H2,1-3H3",C13H19NO3,,,,,,CSGBRIWXMBIKEM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.231,237-670-0,13900-05-5,"5-ethyl-5-phenylbarbituric acid, compound with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one","1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one - 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (1:1)",CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CN3N(C(=O)C=C3C)c4ccccc4,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CN3N(C(=O)C=C3C)c4ccccc4,"InChI=1/C12H12N2O3.C11H12N2O/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);3-8H,1-2H3",C12H12N2O3.xC11H12N2O,,,,,,JQQIQZVQNHKNJI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.238,237-677-9,13906-90-6,2-benzylaziridine,2-benzylaziridine,C(C1CN1)c2ccccc2,C(C1CN1)c2ccccc2,"InChI=1/C9H11N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9-10H,6-7H2",C9H11N,,,,,,LKQAJXTWYDNYHK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.240,237-680-5,13910-48-0,"N-benzylpropane-1,3-diamine","N-benzylpropane-1,3-diamine",NCCCNCc1ccccc1,NCCCNCc1ccccc1,"InChI=1/C10H16N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2",C10H16N2,,,,,,RFLHDXQRFPJPRR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.246,237-686-8,13918-14-4,Lanthanum(3+) silicate(3:4),lanthanum(3+) silicate(3:4),[La+3].[La+3].[La+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[La+3].[La+3].[La+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/3La.4O3Si/c;;;4*1-4(2)3/q3*+3;4*-2,H4O4Si.4/3La,,,,,,HZMWOHGDBOWDRO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.183,240-918-0,16883-48-0,"(1a,2ß,4a)-1,2,4-trimethylcyclopentane","1,2,4-trimethylcyclopentane",CC1C[C@H](C)[C@@H](C)C1,CC1C[C@H](C)[C@@H](C)C1,"InChI=1/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3",C8H16,,,,,,PNUFYSGVPVMNRN-YUMQZZPRSA-N,,,,,,,,,,,
100.039.035,242-955-8,19311-91-2,"N,N-diethylsalicylamide","N,N-diethyl-2-hydroxybenzamide",CCN(CC)C(=O)c1ccccc1O,CCN(CC)C(=O)c1ccccc1O,"InChI=1/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3",C11H15NO2,,,,,,ZVYXEXAXXWINEH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.037,242-957-9,19317-11-4,Farnesal,"3,7,11-trimethyldodeca-2,6,10-trienal",CC(=CCCC(=CCCC(=CC=O)C)C)C,CC(=CCCC(=CCCC(=CC=O)C)C)C,"InChI=1/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3",C15H24O,,,,,,YHRUHBBTQZKMEX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.040,242-961-0,19322-27-1,4-hydroxy-5-methylfuran-3(2H)-one,4-hydroxy-5-methylfuran-3(2H)-one,CC1=C(O)C(=O)CO1,CC1=C(O)C(=O)CO1,"InChI=1/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3",C5H6O3,,,,,,DLVYTANECMRFGX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.044,242-965-2,19328-56-4,Ammonium 3-nitrobenzoate,ammonium 3-nitrobenzoate,[NH4+].[O-]C(=O)c1cccc(c1)[N+](=O)[O-],[NH4+].[O-]C(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C7H5NO4.H3N/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10);1H3",C7H5NO4.H3N,,,,,,RDWQYBUSPWIBRI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.879,241-684-2,17692-43-2,Picodralazine,1-hydrazino-4-(pyridin-4-ylmethyl)phthalazine,NNc1nnc(Cc2ccncc2)c3ccccc13,NNc1nnc(Cc2ccncc2)c3ccccc13,"InChI=1/C14H13N5/c15-17-14-12-4-2-1-3-11(12)13(18-19-14)9-10-5-7-16-8-6-10/h1-8H,9,15H2,(H,17,19)",C14H13N5,,,,,,KCASCYQNVLPVDP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.880,241-685-8,17692-44-3,Hydroxy[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]acetic acid,hydroxy{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}acetic acid,Cc1ncc(COC(O)C(=O)O)c(CO)c1O,Cc1ncc(COC(O)C(=O)O)c(CO)c1O,"InChI=1/C10H13NO6/c1-5-8(13)7(3-12)6(2-11-5)4-17-10(16)9(14)15/h2,10,12-13,16H,3-4H2,1H3,(H,14,15)",C10H13NO6,,,,,,IZMRUZYKDJYBTG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.892,241-698-9,17696-62-7,Phenyl 4-hydroxybenzoate,phenyl 4-hydroxybenzoate,Oc1ccc(cc1)C(=O)Oc2ccccc2,Oc1ccc(cc1)C(=O)Oc2ccccc2,"InChI=1/C13H10O3/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9,14H",C13H10O3,,,,,,GJLNWLVPAHNBQN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.896,241-702-9,17699-05-7,"2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene","2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene",CC(=CCCC1(C)C2CC=C(C)C1C2)C,CC(=CCCC1(C)C2CC=C(C)C1C2)C,"InChI=1/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3",C15H24,,,,,,YMBFCQPIMVLNIU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.897,241-703-4,17699-16-0,"(1a,2a,5a)-2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol",5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol,CC(C)[C@@]12CC[C@@](C)(O)[C@@H]1C2,CC(C)[C@@]12CC[C@@](C)(O)[C@@H]1C2,"InChI=1/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,KXSDPILWMGFJMM-AEJSXWLSSA-N,,,,,,,,,,,
100.037.900,241-707-6,17700-55-9,"N-(2,6-dichloro-3-methylphenyl)acetamide","N-(2,6-dichloro-3-methylphenyl)acetamide",CC(=O)Nc1c(Cl)ccc(C)c1Cl,CC(=O)Nc1c(Cl)ccc(C)c1Cl,"InChI=1/C9H9Cl2NO/c1-5-3-4-7(10)9(8(5)11)12-6(2)13/h3-4H,1-2H3,(H,12,13)",C9H9Cl2NO,,,,,,CJKDFKCEXKPCBM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.905,241-712-3,17704-22-2,"2,4,6,8,10-pentamethyl-2,4,6,8,10-pentavinylcyclopentasiloxane","2,4,6,8,10-pentamethyl-2,4,6,8,10-pentavinyl-1,3,5,7,9,2,4,6,8,10-pentoxapentasilecane",C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C)C=C,C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C)C=C,"InChI=1/C15H30O5Si5/c1-11-21(6)16-22(7,12-2)18-24(9,14-4)20-25(10,15-5)19-23(8,13-3)17-21/h11-15H,1-5H2,6-10H3",C15H30O5Si5,,,,,,ZBXBDQPVXIIXJS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.909,241-717-0,17715-69-4,"1-bromo-2,4-dimethoxybenzene","1-bromo-2,4-dimethoxybenzene",COc1ccc(Br)c(OC)c1,COc1ccc(Br)c(OC)c1,"InChI=1/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3",C8H9BrO2,,,,,,NIUZVSQOXJIHBL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.915,241-723-3,17730-18-6,N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-methionine,1-[(benzyloxy)carbonyl]-L-prolyl-L-methionine,CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2)C(=O)O,CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2)C(=O)O,"InChI=1/C18H24N2O5S/c1-26-11-9-14(17(22)23)19-16(21)15-8-5-10-20(15)18(24)25-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,19,21)(H,22,23)",C18H24N2O5S,,,,,,QHSSZNCPOQRYPJ-GJZGRUSLSA-N,,,,,,,,,,,
100.037.916,241-724-9,17735-99-8,"2-methoxy-6-(2,3,3-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol","2-methoxy-6-(2,3,3-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol",COC1CCCC(C1O)C2(C)C3CCC(C3)C2(C)C,COC1CCCC(C1O)C2(C)C3CCC(C3)C2(C)C,"InChI=1/C17H30O2/c1-16(2)11-8-9-12(10-11)17(16,3)13-6-5-7-14(19-4)15(13)18/h11-15,18H,5-10H2,1-4H3",C17H30O2,,,,,,RGGISOXPWGFYBO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.918,241-727-5,17736-08-2,"(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with 2,2',2''-nitrilotri(ethanol) (1:1)","N-methyl-N-oleoylglycine - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(=O)O.OCCN(CCO)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.OCCN(CCO)CCO,"InChI=1/C21H39NO3.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;8-4-1-7(2-5-9)3-6-10/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);8-10H,1-6H2",C21H39NO3.C6H15NO3,,,,,,FUUGOUJDTGRGMR-GMFCBQQYSA-N,,,,,,,,,,,
100.057.086,262-814-4,61482-25-5,"4-amino-3-[(2,5-disulphophenyl)azo]-5-hydroxy-6-[(3-phosphonophenyl)azo]naphthalene-2,7-disulphonic acid","4-amino-3-[(2,5-disulfophenyl)diazenyl]-5-hydroxy-6-[(3-phosphonophenyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)c4cc(N=Nc1c(N)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2cccc(c2)P(O)(O)=O)c3O)S(O)(=O)=O)c(cc4)S(O)(=O)=O,OS(=O)(=O)c4cc(N=Nc1c(N)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2cccc(c2)P(O)(O)=O)c3O)S(O)(=O)=O)c(cc4)S(O)(=O)=O,"InChI=1/C22H18N5O16PS4/c23-19-18-10(7-17(48(41,42)43)21(22(18)28)27-24-11-2-1-3-12(8-11)44(29,30)31)6-16(47(38,39)40)20(19)26-25-14-9-13(45(32,33)34)4-5-15(14)46(35,36)37/h1-9,28H,23H2,(H2,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)",C22H18N5O16PS4,,,,,,VMAVMCCIGIKEFY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.103,262-833-8,61540-35-0,Cyanomethyl dimethyldithiocarbamate,cyanomethyl dimethyldithiocarbamate,CN(C)C(=S)SCC#N,CN(C)C(=S)SCC#N,"InChI=1/C5H8N2S2/c1-7(2)5(8)9-4-3-6/h4H2,1-2H3",C5H8N2S2,,,,,,LVCZXSPJNILIPO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.108,262-839-0,61550-76-3,"4-[(4-chloro-2,5-dimethoxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(4-chloro-2,5-dimethoxyphenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",COc3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(OC)cc3Cl,COc3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(OC)cc3Cl,"InChI=1/C18H17ClN4O3/c1-11-17(18(24)23(22-11)12-7-5-4-6-8-12)21-20-14-10-15(25-2)13(19)9-16(14)26-3/h4-10,17H,1-3H3",C18H17ClN4O3,,,,,,KROVXDRIZCELEG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.964,264-881-5,64415-14-1,4-phenyl-5-tetradecylthiazol-2-amine,"4-phenyl-5-tetradecyl-1,3-thiazol-2-amine",CCCCCCCCCCCCCCc1sc(N)nc1c2ccccc2,CCCCCCCCCCCCCCc1sc(N)nc1c2ccccc2,"InChI=1/C23H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21-22(25-23(24)26-21)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3,(H2,24,25)",C23H36N2S,,,,,,WYDPIVMKULHMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.966,264-883-6,64415-16-3,2-ammonio-5-chlorothiazolium dichloride,"2-ammonio-5-chloro-1,3-thiazol-3-ium dichloride",[Cl-].[Cl-].[NH3+]c1[nH+]cc(Cl)s1,[Cl-].[Cl-].[NH3+]c1[nH+]cc(Cl)s1,"InChI=1/C3H3ClN2S.2ClH/c4-2-1-6-3(5)7-2;;/h1H,(H2,5,6);2*1H",C3H3ClN2S.2ClH,,,,,,BDODUCHZRFHXHR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.970,264-887-8,64420-30-0,"4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-nitroaniline","4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-nitroaniline",Nc1ccc(cc1[N+](=O)[O-])C2(OCCO2)c3ccc(F)cc3,Nc1ccc(cc1[N+](=O)[O-])C2(OCCO2)c3ccc(F)cc3,"InChI=1/C15H13FN2O4/c16-12-4-1-10(2-5-12)15(21-7-8-22-15)11-3-6-13(17)14(9-11)18(19)20/h1-6,9H,7-8,17H2",C15H13FN2O4,,,,,,ISYYBUVYPKLKIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.971,264-888-3,64420-52-6,"4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]benzene-1,2-diamine","4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]benzene-1,2-diamine",Nc1ccc(cc1N)C2(OCCO2)c3ccc(F)cc3,Nc1ccc(cc1N)C2(OCCO2)c3ccc(F)cc3,"InChI=1/C15H15FN2O2/c16-12-4-1-10(2-5-12)15(19-7-8-20-15)11-3-6-13(17)14(18)9-11/h1-6,9H,7-8,17-18H2",C15H15FN2O2,,,,,,VPEMAAMGKQQPEH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.974,264-892-5,64426-36-4,"N-(chlorodimethylsilyl)-N'-(chlorodiphenylsilyl)-1,1-dimethylsilanediamine","N-[chloro(dimethyl)silyl]-N'-[chloro(diphenyl)silyl]-1,1-dimethylsilanediamine",C[Si](C)(Cl)N[Si](C)(C)N[Si](Cl)(c1ccccc1)c2ccccc2,C[Si](C)(Cl)N[Si](C)(C)N[Si](Cl)(c1ccccc1)c2ccccc2,"InChI=1/C16H24Cl2N2Si3/c1-21(2,17)19-22(3,4)20-23(18,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,19-20H,1-4H3",C16H24Cl2N2Si3,,,,,,FPHWQPBEALKMAP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.978,264-896-7,64431-71-6,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 5-oxo-DL-prolinate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 5-oxo-L-prolinate",CC1(C)C2CCC1(C)C(C2)OC(=O)[C@@H]3CCC(=O)N3,CC1(C)C2CCC1(C)C(C2)OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C15H23NO3/c1-14(2)9-6-7-15(14,3)11(8-9)19-13(18)10-4-5-12(17)16-10/h9-11H,4-8H2,1-3H3,(H,16,17)",C15H23NO3,,,,,,XODDLQGGEAGBHB-JYWPOGKJSA-N,,,,,,,,,,,
100.058.980,264-898-8,64431-74-9,Potassium tetradecyl hydrogen phosphate,potassium tetradecyl hydrogen phosphate,[K+].OP([O-])(=O)OCCCCCCCCCCCCCC,[K+].OP([O-])(=O)OCCCCCCCCCCCCCC,"InChI=1/C14H31O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);/q;+1/p-1",C14H31O4P.K,,,,,,FRZFGZORTBOVCV-UHFFFAOYSA-M,,,,,,,,,,,
100.058.983,264-901-2,64437-72-5,N-[[(aminocarbonyl)amino]methyl]acrylamide,N-[(carbamoylamino)methyl]acrylamide,NC(=O)NCNC(=O)C=C,NC(=O)NCNC(=O)C=C,"InChI=1/C5H9N3O2/c1-2-4(9)7-3-8-5(6)10/h2H,1,3H2,(H,7,9)(H3,6,8,10)",C5H9N3O2,,,,,,AHFCYFDSTXEZKS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.985,264-903-3,64474-06-2,"1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, potassium salt (1:4)","1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3-dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, potassium salt (1:4)",[K+].[K+].[K+].[K+].ClN1C(=O)NC(=O)N(Cl)C1=O.ClN2C(=O)NC(=O)N(Cl)C2=O.ClN3C(=O)NC(=O)N(Cl)C3=O.ClN4C(=O)NC(=O)N(Cl)C4=O.ClN5C(=O)N(Cl)C(=O)N(Cl)C5=O,[K+].[K+].[K+].[K+].ClN1C(=O)NC(=O)N(Cl)C1=O.ClN2C(=O)NC(=O)N(Cl)C2=O.ClN3C(=O)NC(=O)N(Cl)C3=O.ClN4C(=O)NC(=O)N(Cl)C4=O.ClN5C(=O)N(Cl)C(=O)N(Cl)C5=O,"InChI=1/C3Cl3N3O3.4C3HCl2N3O3.4K/c4-7-1(10)8(5)3(12)9(6)2(7)11;4*4-7-1(9)6-2(10)8(5)3(7)11;;;;/h;4*(H,6,9,10);;;;/q;;;;;4*+1",C3HCl2N3O3.1/4C3Cl3N3O3.K,,,,,,NSUYGRHTCQVYET-UHFFFAOYSA-N,,,,,,,,,,,
100.031.708,234-893-5,12039-35-9,"Antimony, compound with zinc (1:1)",-,[Zn].[Sb],[Zn].[Sb],InChI=1/Sb.Zn/q+3;+2,Sb.Zn,,,,,,CZJCMXPZSYNVLP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.959,240-671-9,16623-25-9,2-(m-aminobenzyl)butyric acid,2-(3-aminobenzyl)butanoic acid,CCC(Cc1cccc(N)c1)C(=O)O,CCC(Cc1cccc(N)c1)C(=O)O,"InChI=1/C11H15NO2/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9H,2,6,12H2,1H3,(H,13,14)",C11H15NO2,,,,,,ZRRVWPUAOKIETO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.961,240-674-5,16624-64-9,4-nitrophenyl N-(benzyloxycarbonyl)-L-tryptophanate,4-nitrophenyl N-[(benzyloxy)carbonyl]-L-tryptophanate,[O-][N+](=O)c1ccc(OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc4ccccc4)cc1,[O-][N+](=O)c1ccc(OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc4ccccc4)cc1,"InChI=1/C25H21N3O6/c29-24(34-20-12-10-19(11-13-20)28(31)32)23(14-18-15-26-22-9-5-4-8-21(18)22)27-25(30)33-16-17-6-2-1-3-7-17/h1-13,15,23,26H,14,16H2,(H,27,30)",C25H21N3O6,,,,,,MGXAOGDOJXOYRA-QHCPKHFHSA-N,,,,,,,,,,,
100.036.966,240-679-2,16630-55-0,3-(methylthio)propyl acetate,3-(methylsulfanyl)propyl acetate,CSCCCOC(=O)C,CSCCCOC(=O)C,"InChI=1/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3",C6H12O2S,,,,,,LPZQTNIAYMRVMF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.969,240-682-9,16630-65-2,3-(methylthio)butyric acid,3-(methylsulfanyl)butanoic acid,CSC(C)CC(=O)O,CSC(C)CC(=O)O,"InChI=1/C5H10O2S/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",C5H10O2S,,,,,,QWAKSOMWGWIYQP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.972,240-686-0,16631-02-0,Silver(1+) methacrylate,silver(1+) methacrylate,[Ag+].CC(=C)C(=O)[O-],[Ag+].CC(=C)C(=O)[O-],"InChI=1/C4H6O2.Ag/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",C4H6O2.Ag,,,,,,PQCHENNROHVIHO-UHFFFAOYSA-M,,,,,,,,,,,
100.036.975,240-689-7,16640-68-9,(triphenylphosphoranylidene)acetonitrile,(triphenylphosphoranylidene)acetonitrile,N#CC=P(c1ccccc1)(c2ccccc2)c3ccccc3,N#CC=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H16NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H",C20H16NP,,,,,,APISVOVOJVZIBA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.976,240-690-2,16643-66-6,Magnesium 4-methoxy-<U+03B3>-oxonaphthalene-1-butyrate (1:2),magnesium bis[4-(4-methoxy-1-naphthyl)-4-oxobutanoate],[MgH2].COc1ccc(C(=O)CCC(=O)[O-])c2ccccc12.COc3ccc(C(=O)CCC(=O)[O-])c4ccccc34,[MgH2].COc1ccc(C(=O)CCC(=O)[O-])c2ccccc12.COc3ccc(C(=O)CCC(=O)[O-])c4ccccc34,"InChI=1/2C15H14O4.Mg.2H/c2*1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14;;;/h2*2-6,8H,7,9H2,1H3,(H,17,18);;;/q;;+2;;/p-2/r2C15H14O4.H2Mg/c2*1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14;/h2*2-6,8H,7,9H2,1H3,(H,17,18);1H2/q;;+2/p-2",C15H14O4.1/2Mg,,,,,,VQPVFGZPEJECDW-UHFFFAOYSA-L,,,,,,,,,,,
100.036.978,240-692-3,16646-44-9,"3,3',3'',3'''-[1,2-ethanediylidenetetrakis(oxy)]tetrakispropene","3,3',3'',3'''-[ethane-1,1,2,2-tetrayltetrakis(oxy)]tetrakis(prop-1-ene)",C=CCOC(OCC=C)C(OCC=C)OCC=C,C=CCOC(OCC=C)C(OCC=C)OCC=C,"InChI=1/C14H22O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-8,13-14H,1-4,9-12H2",C14H22O4,,,,,,BXAAQNFGSQKPDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.980,240-694-4,16648-50-3,Benzyl diphenylglycolate,benzyl hydroxy(diphenyl)acetate,OC(C(=O)OCc1ccccc1)(c2ccccc2)c3ccccc3,OC(C(=O)OCc1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H18O3/c22-20(24-16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,23H,16H2",C21H18O3,,,,,,LSDNYZKLTSRRSE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.983,240-698-6,16649-79-9,Calcium N-(aminocarbonyl)-L-aspartate,calcium 2-(carbamoylamino)succinate,[Ca+2].NC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],[Ca+2].NC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C5H8N2O5.Ca/c6-5(12)7-2(4(10)11)1-3(8)9;/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;+2/p-2",C5H8N2O5.Ca,,,,,,KGWAITXYALRFDQ-DKWTVANSSA-L,,,,,,,,,,,
100.036.990,240-705-2,16663-87-9,N-octyl-p-anisidine,4-methoxy-N-octylaniline,CCCCCCCCNc1ccc(OC)cc1,CCCCCCCCNc1ccc(OC)cc1,"InChI=1/C15H25NO/c1-3-4-5-6-7-8-13-16-14-9-11-15(17-2)12-10-14/h9-12,16H,3-8,13H2,1-2H3",C15H25NO,,,,,,BMIYEEFUOGMAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.998,240-714-1,16669-27-5,Docosyl methacrylate,docosyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h2,4-24H2,1,3H3",C26H50O2,,,,,,OCDWICPYKQMQSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.007,235-221-3,12135-42-1,Ruthenium trihydroxide,-,[OH-].[OH-].[OH-].[Ru+2],[OH-].[OH-].[OH-].[Ru+2],InChI=1/3H2O.Ru/h3*1H2;/q;;;+2/p-3,H3O3Ru,,,,,,DHUMEKQXVAMGMG-UHFFFAOYSA-K,,,,,,,,,,,
100.038.775,242-669-3,18917-89-0,Magnesium disalicylate,magnesium bis(2-hydroxybenzoate),[Mg+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Mg+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C14H10MgO6,,,,,,MQHWFIOJQSCFNM-UHFFFAOYSA-L,,,,,,,,,,,
100.038.776,242-670-9,18917-91-4,Aluminium trilactate,aluminum tris(2-hydroxypropanoate),[Al+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Al+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/3C3H6O3.Al/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3",C9H15AlO9,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13336,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.776,VXYADVIJALMOEQ-UHFFFAOYSA-K,,,,,,,,,,,
100.037.190,240-925-9,16889-21-7,6-chloro-1H-indazol-3-amine,6-chloro-1H-indazol-3-amine,Nc1n[nH]c2cc(Cl)ccc12,Nc1n[nH]c2cc(Cl)ccc12,"InChI=1/C7H6ClN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11)",C7H6ClN3,,,,,,BPTYMRSBTUERSW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.193,240-929-0,16891-99-9,1-nitrododecane,1-nitrododecane,CCCCCCCCCCCC[N+](=O)[O-],CCCCCCCCCCCC[N+](=O)[O-],"InChI=1/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3",C12H25NO2,,,,,,MQEMKUTWMALMCC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.202,240-939-5,16897-56-6,"2a,3,4,5-tetrahydroacenaphthylene","2a,3,4,5-tetrahydroacenaphthylene",C1CC2C=Cc3cccc(C1)c23,C1CC2C=Cc3cccc(C1)c23,"InChI=1/C12H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1,3,5,7-8,11H,2,4,6H2",C12H12,,,,,,FTHSEFQUTAMMGF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.204,240-941-6,16898-52-5,"4,4'-trimethylenedipiperidine","4,4'-propane-1,3-diyldipiperidine",C(CC1CCNCC1)CC2CCNCC2,C(CC1CCNCC1)CC2CCNCC2,"InChI=1/C13H26N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h12-15H,1-11H2",C13H26N2,,,,,,OXEZLYIDQPBCBB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.578,238-052-3,14199-88-3,1-deoxy-1-nitro-D-glucitol,1-deoxy-1-nitro-D-glucitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C[N+](=O)[O-],OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C[N+](=O)[O-],"InChI=1/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2",C6H13NO7,,,,,,HOFCJTOUEGMYBT-SLPGGIOYSA-N,,,,,,,,,,,
100.034.587,238-062-8,14206-60-1,2-(undecylamino)ethanol,2-(undecylamino)ethanol,CCCCCCCCCCCNCCO,CCCCCCCCCCCNCCO,"InChI=1/C13H29NO/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15/h14-15H,2-13H2,1H3",C13H29NO,,,,,,BZMGMGOJSGJEAY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.593,238-069-6,14214-69-8,"Cholesta-4,6-diene-3ß-ol","cholesta-4,6-dien-3-ol",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,21-25,28H,6-8,11-16H2,1-5H3",C27H44O,,,,,,KIULDMFHZZHYKZ-DPAQBDIFSA-N,,,,,,,,,,,
100.034.595,238-071-7,14215-15-7,Aluminium dichloride hydroxide,aluminum dichloride hydroxide,[OH-].[Al+3].[Cl-].[Cl-],[OH-].[Al+3].[Cl-].[Cl-],InChI=1/Al.2ClH.H2O/h;2*1H;1H2/q+3;;;/p-3,AlCl2HO,,,,,,IDOSCGGXFAKNLS-UHFFFAOYSA-K,,,,,,,,,,,
100.034.597,238-073-8,14216-22-9,1-deoxy-1-(ethylamino)-D-glucitol,1-deoxy-1-(ethylamino)-D-glucitol,CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C8H19NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h5-14H,2-4H2,1H3",C8H19NO5,,,,,,IKXCHOUDIPZROZ-LXGUWJNJSA-N,,,,,,,,,,,
100.034.598,238-074-3,14216-25-2,2-(ethylthio)ethyl methacrylate,2-(ethylsulfanyl)ethyl methacrylate,CCSCCOC(=O)C(=C)C,CCSCCOC(=O)C(=C)C,"InChI=1/C8H14O2S/c1-4-11-6-5-10-8(9)7(2)3/h2,4-6H2,1,3H3",C8H14O2S,,,,,,VMKYTTSJFPJNOS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.602,238-079-0,14217-21-1,Trisodium hexacyanoferrate,-,[Na+].[Na+].[Na+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N,[Na+].[Na+].[Na+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Fe.3Na/c6*1-2;;;;/q;;;;;;;3*+1/rC6FeN6.3Na/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;/q;3*+1",C6FeN6.3Na,,,,,,BGUMNKICOFGUCP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.614,238-092-1,14222-46-9,Pyritidium bromide,"3-amino-8-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]-6-(4-aminophenyl)-5-methylphenanthridinium dibromide",[Br-].[Br-].Cc1cc(Nc2ccc3c4ccc(N)cc4[n+](C)c(c5ccc(N)cc5)c3c2)nc(N)[n+]1C,[Br-].[Br-].Cc1cc(Nc2ccc3c4ccc(N)cc4[n+](C)c(c5ccc(N)cc5)c3c2)nc(N)[n+]1C,"InChI=1/C26H25N7.2BrH/c1-15-12-24(31-26(29)32(15)2)30-19-9-11-20-21-10-8-18(28)13-23(21)33(3)25(22(20)14-19)16-4-6-17(27)7-5-16;;/h4-14H,1-3H3,(H5,27,28,29,30,31);2*1H",C26H26N7.BrH.Br,,,,,,IXNYZBNLCCQASS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.615,238-093-7,14222-60-7,Protionamide,2-propylpyridine-4-carbothioamide,CCCc1cc(ccn1)C(=S)N,CCCc1cc(ccn1)C(=S)N,"InChI=1/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)",C9H12N2S,,,,,,VRDIULHPQTYCLN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.339,242-189-4,18304-82-0,"1,3,5,7,9,11-hexamethyl-1,3,5,7,9,11-hexavinylcyclohexasiloxane","2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexavinylcyclohexasiloxane",C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C)C=C)C=C,C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C)C=C)C=C,"InChI=1/C18H36O6Si6/c1-13-25(7)19-26(8,14-2)21-28(10,16-4)23-30(12,18-6)24-29(11,17-5)22-27(9,15-3)20-25/h13-18H,1-6H2,7-12H3",C18H36O6Si6,,,,,,JDLPYWQTHJDXFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.343,242-194-1,18309-28-9,(2S-cis)-2-(isopropyl)-5-methylcyclohexan-1-one,2-isopropyl-5-methylcyclohexanone,CC(C)[C@@H]1CC[C@H](C)CC1=O,CC(C)[C@@H]1CC[C@H](C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,NFLGAXVYCFJBMK-IUCAKERBSA-N,,,,,,,,,,,
100.038.345,242-196-2,18310-55-9,"Exo-3,3-dimethylbicyclo[2.2.1]heptane-2-methanol","(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methanol",CC1(C)C2CCC(C2)C1CO,CC1(C)C2CCC(C2)C1CO,"InChI=1/C10H18O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,GICBKEFIACFATK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.920,241-729-6,17736-86-6,"Trimethylamine, compound with sulphur trioxide","N,N-dimethylmethanamine - oxosulfane dioxide (1:1)",CN(C)C.O=S(=O)=O,CN(C)C.O=S(=O)=O,InChI=1/C3H9N.O3S/c2*1-4(2)3/h1-3H3;,C3H9N.xO3S,,,,,,DXASQZJWWGZNSF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.923,241-732-2,17741-60-5,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C15H7F21O2/c1-2-5(37)38-4-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2H,1,3-4H2",C15H7F21O2,,,,,,FIAHOPQKBBASOY-UHFFFAOYSA-N,,,,,,,,,,,
100.031.825,235-021-6,12057-30-6,"Antimony, compound with lithium (1:3)",-,[LiH].[LiH].[LiH].[Sb],[LiH].[LiH].[LiH].[Sb],InChI=1/3Li.Sb.3H/q3*+1;+3;;;/r3HLi.Sb/h3*1H;/q3*+1;+3,Li.Sb,,,,,,PZSHBGACWXUIBP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.828,235-024-2,12057-75-9,"Antimony, compound with magnesium (2:3)",-,[MgH2].[MgH2].[MgH2].[Sb].[Sb],[MgH2].[MgH2].[MgH2].[Sb].[Sb],InChI=1/3Mg.2Sb.6H/q3*+2;2*+3;;;;;;/r3H2Mg.2Sb/h3*1H2;;/q3*+2;2*+3,Mg.Sb,,,,,,ZTPSXIGNWSUNRL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.849,235-047-8,12062-24-7,Copper hexafluorosilicate,copper(2+) hexafluorosilicate,[Cu+2].F[Si-2](F)(F)(F)(F)F,[Cu+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/Cu.F6Si/c;1-7(2,3,4,5)6/q+2;-2",Cu.F6Si,,,,,,ZCFYKWAXGQHQIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.117,235-342-1,12179-14-5,Disodium tetrahydroxyzincate,disodium tetrahydroxyzincate(2-),[Na+].[Na+].O[Zn-2](O)(O)O,[Na+].[Na+].O[Zn-2](O)(O)O,"InChI=1/2Na.4H2O.Zn/h;;4*1H2;/q2*+1;;;;;+2/p-4/r2Na.H4O4Zn/c;;1-5(2,3)4/h;;1-4H/q2*+1;-2",H4O4Zn.2Na,,,,,,HVTHJRMZXBWFNE-UHFFFAOYSA-J,,,,,,,,,,,
100.032.123,235-348-4,12183-14-1,"Iron, compound with praseodymium (17:2)",iron - praseodymium (17:2),[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Pr].[Pr],[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Pr].[Pr],InChI=1/17Fe.2Pr/q17*+2;2*+3,Fe.Pr,,,,,,XECKBNPXXWFJCN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.628,237-007-5,13574-13-5,"5-benzyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate",5-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoate,CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)[O-],CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)[O-],"InChI=1/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/p-1",C17H23NO6,,,,,,AJDUMMXHVCMISJ-ZDUSSCGKSA-M,,,,,,,,,,,
100.033.632,237-011-7,13578-25-1,"1-(4-chlorophenyl)-1,3-dimethylurea","1-(4-chlorophenyl)-1,3-dimethylurea",CNC(=O)N(C)c1ccc(Cl)cc1,CNC(=O)N(C)c1ccc(Cl)cc1,"InChI=1/C9H11ClN2O/c1-11-9(13)12(2)8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)",C9H11ClN2O,,,,,,XZTUYISAOWDOSC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.640,237-020-6,13587-24-1,Copper hydrogen phosphate,copper(2+) hydrogen phosphate,[Cu+2].[O-]P([O-])(O)=O,[Cu+2].[O-]P([O-])(O)=O,"InChI=1/Cu.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2",Cu.H3O4P,,,,,,CSCNMBQITNFHLH-UHFFFAOYSA-L,,,,,,,,,,,
100.033.646,237-026-9,13590-42-6,"Benzyl (S)-2,5-dioxooxazolidine-4-acetate","benzyl (2,5-dioxo-1,3-oxazolidin-4-yl)acetate",O=C(C[C@@H]1NC(=O)OC1=O)OCc2ccccc2,O=C(C[C@@H]1NC(=O)OC1=O)OCc2ccccc2,"InChI=1/C12H11NO5/c14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)",C12H11NO5,,,,,,QNIPTEJAZIWFHH-VIFPVBQESA-N,,,,,,,,,,,
100.033.647,237-027-4,13590-71-1,Methyl hydrogenphosphonate,methyl hydrogen phosphonate,COP(=O)O,COP(=O)O,"InChI=1/CH5O3P/c1-4-5(2)3/h5H,1H3,(H,2,3)",CH5O3P,,,,,,QCMYYKRYFNMIEC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.649,237-030-0,13590-97-1,Dodecylguanidine monohydrochloride,1-dodecylguanidine hydrochloride,Cl.CCCCCCCCCCCCNC(=N)N,Cl.CCCCCCCCCCCCNC(=N)N,"InChI=1/C13H29N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;/h2-12H2,1H3,(H4,14,15,16);1H",C13H29N3.ClH,,,,,,CGMKPKRNUNDACU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.659,237-041-0,13596-23-1,Octachlorotrisilane,octachlorotrisilane,Cl[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)Cl,"InChI=1/Cl8Si3/c1-9(2,3)11(7,8)10(4,5)6",Cl8Si3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16988,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.659,PZKOFHKJGUNVTM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.050,242-972-0,19339-59-4,2-(4-chlorophenyl)-2-oxoethyl thiocyanate,2-(4-chlorophenyl)-2-oxoethyl thiocyanate,Clc1ccc(cc1)C(=O)CSC#N,Clc1ccc(cc1)C(=O)CSC#N,"InChI=1/C9H6ClNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2",C9H6ClNOS,,,,,,JSIQRJQKMVTGJN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.052,242-974-1,19341-54-9,Ethylguanidine hydrochloride,1-ethylguanidine hydrochloride,Cl.CCNC(=N)N,Cl.CCNC(=N)N,"InChI=1/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H",C3H9N3.ClH,,,,,,GVSGVBVZXJOLDD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.993,264-912-2,64485-88-7,Ethyl (Z)-2-amino-a-(methoxyimino)thiazol-4-acetate,"ethyl (2-amino-1,3-thiazol-4-yl)(methoxyimino)acetate",CCOC(=O)\\C(=N/OC)\\c1csc(N)n1,CCOC(=O)\C(=N/OC)\c1csc(N)n1,"InChI=1/C8H11N3O3S/c1-3-14-7(12)6(11-13-2)5-4-15-8(9)10-5/h4H,3H2,1-2H3,(H2,9,10)",C8H11N3O3S,,,,,,POBMBNPEUPDXRS-WDZFZDKYSA-N,,,,,,,,,,,
100.061.376,267-534-6,67875-19-8,"Tetrasodium 2-[4-[2-(4-amino-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-6,8-disulphonate","tetrasodium 2-{4-[2-(4-amino-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-2H-naphtho[1,2-d][1,2,3]triazole-6,8-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc1ccc(\\C=C\\c2ccc(cc2S(=O)(=O)[O-])n3nc4ccc5c(cc(cc5c4n3)S(=O)(=O)[O-])S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].Nc1ccc(\C=C\c2ccc(cc2S(=O)(=O)[O-])n3nc4ccc5c(cc(cc5c4n3)S(=O)(=O)[O-])S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C24H18N4O12S4.4Na/c25-15-5-3-13(21(9-15)42(32,33)34)1-2-14-4-6-16(10-22(14)43(35,36)37)28-26-20-8-7-18-19(24(20)27-28)11-17(41(29,30)31)12-23(18)44(38,39)40;;;;/h1-12H,25H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4",C24H18N4O12S4.4Na,,,,,,IEUXFXYXYRJXLU-MBCFVHIPSA-J,,,,,,,,,,,
100.055.664,261-251-1,58437-70-0,"(Z)-2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate","2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate",CC(=O)OC\\C=C/1\\C2CCC(C2)C1(C)C,CC(=O)OC\C=C/1\C2CCC(C2)C1(C)C,"InChI=1/C13H20O2/c1-9(14)15-7-6-12-10-4-5-11(8-10)13(12,2)3/h6,10-11H,4-5,7-8H2,1-3H3",C13H20O2,,,,,,DVZKEXVVDIXSMK-SDQBBNPISA-N,,,,,,,,,,,
100.055.665,261-252-7,58437-71-1,"(E)-2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethanol","2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethanol",CC1(C)C2CCC(C2)/C/1=C\\CO,CC1(C)C2CCC(C2)/C/1=C\CO,"InChI=1/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3",C11H18O,,,,,,JGDHOHFQJJATNG-BJMVGYQFSA-N,,,,,,,,,,,
100.055.668,261-255-3,58444-07-8,"16-chlorohexadeca-5,9-diyne","16-chlorohexadeca-5,9-diyne",CCCCC#CCCC#CCCCCCCCl,CCCCC#CCCC#CCCCCCCCl,"InChI=1/C16H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-4,7-8,11-16H2,1H3",C16H25Cl,,,,,,KALOSERCJZNJMW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.670,261-257-4,58446-52-9,"Phenylicosane-1,3-dione","1-phenylicosane-1,3-dione",CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1,CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1,"InChI=1/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3",C26H42O2,,,,,,LRQGFQDEQPZDQC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.671,261-259-5,58447-24-8,"9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium iodide","9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",[I-].Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13,[I-].Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13,"InChI=1/C18H16N2O.HI/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;/h4-9,21H,1-3H3;1H",C18H17N2O.I,,,,,,VBYXSZHHBDXMNX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.673,261-261-6,58458-10-9,2-bromo-3-(trifluoromethyl)aniline,2-bromo-3-(trifluoromethyl)aniline,Nc1cccc(c1Br)C(F)(F)F,Nc1cccc(c1Br)C(F)(F)F,"InChI=1/C7H5BrF3N/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3H,12H2",C7H5BrF3N,,,,,,XIUJCAJFRWDEKE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.681,261-270-5,58470-74-9,"1,3-dimethyl-5-[6-(phenylthio)benz[cd]indol-2(1H)-ylidene]barbituric acid","1,3-dimethyl-5-[6-(phenylsulfanyl)benzo[cd]indol-2(1H)-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione",CN1C(=O)N(C)C(=O)C(=C2Nc3ccc(Sc4ccccc4)c5cccc2c35)C1=O,CN1C(=O)N(C)C(=O)C(=C2Nc3ccc(Sc4ccccc4)c5cccc2c35)C1=O,"InChI=1/C23H17N3O3S/c1-25-21(27)19(22(28)26(2)23(25)29)20-15-10-6-9-14-17(12-11-16(24-20)18(14)15)30-13-7-4-3-5-8-13/h3-12,24H,1-2H3",C23H17N3O3S,,,,,,ZKKFUSFTQZGTKV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.687,261-276-8,58474-16-1,"3,3'-(decane-1,10-diyl)bis(benzothiazolium) dibromide","3,3'-decane-1,10-diylbis-1,3-benzothiazol-3-ium dibromide",[Br-].[Br-].C(CCCCC[n+]1csc2ccccc12)CCCC[n+]3csc4ccccc34,[Br-].[Br-].C(CCCCC[n+]1csc2ccccc12)CCCC[n+]3csc4ccccc34,"InChI=1/C24H30N2S2.2BrH/c1(3-5-11-17-25-19-27-23-15-9-7-13-21(23)25)2-4-6-12-18-26-20-28-24-16-10-8-14-22(24)26;;/h7-10,13-16,19-20H,1-6,11-12,17-18H2;2*1H/q+2;;/p-2",C24H30N2S2.2Br,,,,,,JIZYPFRCBQPFGJ-UHFFFAOYSA-L,,,,,,,,,,,
100.055.701,261-292-5,58499-37-9,Bis(1-oxoisononyl) peroxide,bis(6-methylheptyl)peroxyanhydride,CC(C)CCCCCC(=O)OOC(=O)CCCCCC(C)C,CC(C)CCCCCC(=O)OOC(=O)CCCCCC(C)C,"InChI=1/C18H34O4/c1-15(2)11-7-5-9-13-17(19)21-22-18(20)14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3",C18H34O4,,,,,,XKXGWYAQJRXDPI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.702,261-293-0,58500-38-2,"Silicic acid, beryllium salt",beryllium oxosilanediolate,[Be+2].[O-][Si](=O)[O-],[Be+2].[O-][Si](=O)[O-],InChI=1/Be.O3Si/c;1-4(2)3/q+2;-2,-,,,,,,PDKFNARGSGTPNM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.170,260-706-1,57375-63-0,3-[[(1-methylethoxy)carbonyl]amino]phenyl ethylphenyl-carbamate,3-[(isopropoxycarbonyl)amino]phenyl ethyl(phenyl)carbamate (non-preferred name),CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c2ccccc2,CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c2ccccc2,"InChI=1/C19H22N2O4/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3/h5-14H,4H2,1-3H3,(H,20,22)",C19H22N2O4,,,,,,PWEOEHNGYFXZLI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.172,260-708-2,57377-06-7,(2-ethylhexanoato-O)bis(propan-2-olato)aluminium,aluminum 2-ethylhexanoate dipropan-2-olate,CCCCC(CC)C(=O)O[Al](OC(C)C)OC(C)C,CCCCC(CC)C(=O)O[Al](OC(C)C)OC(C)C,"InChI=1/C8H16O2.2C3H7O.Al/c1-3-5-6-7(4-2)8(9)10;2*1-3(2)4;/h7H,3-6H2,1-2H3,(H,9,10);2*3H,1-2H3;/q;2*-1;+3/p-1/rC14H29AlO4/c1-7-9-10-13(8-2)14(16)19-15(17-11(3)4)18-12(5)6/h11-13H,7-10H2,1-6H3",C14H29AlO4,,,,,,SYBBENKWBWIAHN-UHFFFAOYSA-M,,,,,,,,,,,
100.038.783,242-678-2,18924-67-9,"2,2'-(hexadecylimino)bisethanol","2,2'-(hexadecylimino)diethanol",CCCCCCCCCCCCCCCCN(CCO)CCO,CCCCCCCCCCCCCCCCN(CCO)CCO,"InChI=1/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-19-22)18-20-23/h22-23H,2-20H2,1H3",C20H43NO2,,,,,,MJWIPTSHMLSLFE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.784,242-679-8,18924-91-9,"2,4,6-tris(2-ethylaziridin-1-yl)-1,3,5-triazine","2,4,6-tris(2-ethylaziridin-1-yl)-1,3,5-triazine",CCC1CN1c2nc(nc(n2)N3CC3CC)N4CC4CC,CCC1CN1c2nc(nc(n2)N3CC3CC)N4CC4CC,"InChI=1/C15H24N6/c1-4-10-7-19(10)13-16-14(20-8-11(20)5-2)18-15(17-13)21-9-12(21)6-3/h10-12H,4-9H2,1-3H3",C15H24N6,,,,,,JMDOEUVPOVHBNU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.785,242-680-3,18924-98-6,Diammonium butyl phosphate,diammonium butyl phosphate,[NH4+].[NH4+].CCCCOP(=O)([O-])[O-],[NH4+].[NH4+].CCCCOP(=O)([O-])[O-],"InChI=1/C4H11O4P.2H3N/c1-2-3-4-8-9(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);2*1H3",C4H11O4P.2H3N,,,,,,SUXWXWYGZAKSSU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.786,242-681-9,18928-00-2,"(2S-cis)-N,N'-[(3,6-dioxopiperazine-2,5-diyl)di-3,1-propanediyl]bis[N-hydroxyacetamide]","N,N'-[(3,6-dioxopiperazine-2,5-diyl)dipropane-3,1-diyl]bis(N-hydroxyacetamide)",CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)C)NC1=O,CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)C)NC1=O,"InChI=1/C14H24N4O6/c1-9(19)17(23)7-3-5-11-13(21)16-12(14(22)15-11)6-4-8-18(24)10(2)20/h11-12,23-24H,3-8H2,1-2H3,(H,15,22)(H,16,21)",C14H24N4O6,,,,,,PUWVNTVQJFSBDH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.789,242-685-0,18933-92-1,"1,3-dimethylbutyl acrylate","1,3-dimethylbutyl acrylate",CC(C)CC(C)OC(=O)C=C,CC(C)CC(C)OC(=O)C=C,"InChI=1/C9H16O2/c1-5-9(10)11-8(4)6-7(2)3/h5,7-8H,1,6H2,2-4H3",C9H16O2,,,,,,BVDBXCXQMHBGQM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.791,242-687-1,18936-17-9,2-methylbutyronitrile,2-methylbutanenitrile,CCC(C)C#N,CCC(C)C#N,"InChI=1/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3",C5H9N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6423,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.791,RCEJCSULJQNRQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.793,242-689-2,18937-78-5,Methyl hept-2-ynoate,methyl hept-2-ynoate,CCCCC#CC(=O)OC,CCCCC#CC(=O)OC,"InChI=1/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-5H2,1-2H3",C8H12O2,,,,,,IATZLNCRIIUXJM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.801,242-698-1,18956-84-8,Trimethyl[2-(1-oxobutoxy)ethyl]ammonium bromide,"2-(butyryloxy)-N,N,N-trimethylethanaminium bromide",[Br-].CCCC(=O)OCC[N+](C)(C)C,[Br-].CCCC(=O)OCC[N+](C)(C)C,"InChI=1/C9H20NO2.BrH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1",C9H20NO2.Br,,,,,,RPYPSMVHOUZJIP-UHFFFAOYSA-M,,,,,,,,,,,
100.038.807,242-704-2,18962-77-1,"N,N'-methylenebis[N-formylacetamide]","N,N'-methylenebis(N-formylacetamide)",CC(=O)N(CN(C=O)C(=O)C)C=O,CC(=O)N(CN(C=O)C(=O)C)C=O,"InChI=1/C7H10N2O4/c1-6(12)8(4-10)3-9(5-11)7(2)13/h4-5H,3H2,1-2H3",C7H10N2O4,,,,,,KHDWSPPUGCOVPL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.817,242-715-2,18979-72-1,3-butoxyphenol,3-butoxyphenol,CCCCOc1cccc(O)c1,CCCCOc1cccc(O)c1,"InChI=1/C10H14O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8,11H,2-3,7H2,1H3",C10H14O2,,,,,,VGIJZDWQVCXVNL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.410,238-967-8,14898-79-4,(R)-butan-2-ol,butan-2-ol,CC[C@@H](C)O,CC[C@@H](C)O,"InChI=1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3",C4H10O,,,,,,BTANRVKWQNVYAZ-SCSAIBSYSA-N,,,,,,,,,,,
100.035.412,238-969-9,14901-07-6,"4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one","4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one",CC1(C)CCCC(\\C)=C1\\C=CC(C)=O,CC1(C)CCCC(\C)=C1\C=CC(C)=O,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3",C13H20O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12631,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.412,PSQYTAPXSHCGMF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.415,238-973-0,14906-55-9,4-ethylpyridine 1-oxide,4-ethylpyridine 1-oxide,CCc1cc[n+]([O-])cc1,CCc1cc[n+]([O-])cc1,"InChI=1/C7H9NO/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3",C7H9NO,,,,,,VFJRXOXKSUBBMR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.417,238-975-1,14906-64-0,Nicotinonitrile 1-oxide,nicotinonitrile 1-oxide,[O-][n+]1cccc(C#N)c1,[O-][n+]1cccc(C#N)c1,"InChI=1/C6H4N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H",C6H4N2O,,,,,,WOOVSQCALYYUDO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.418,238-976-7,14906-97-9,Sodium D-gluconate,"sodium 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1",C6H12O7.xNa,,,,,,UPMFZISCCZSDND-JJKGCWMISA-M,,,,,,,,,,,
100.035.424,238-983-5,14914-99-9,Cholest-5-ene-3-ß-yl dihydrocinnamate,cholest-5-en-3-yl 3-phenylpropanoate,CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCc5ccccc5,CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCc5ccccc5,"InChI=1/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3",C36H54O2,,,,,,KPNKAGLPVPTLGB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.428,238-987-7,14917-55-6,Methyl 6-deoxy-a-L-mannopyranoside,methyl 6-deoxy-alpha-L-mannopyranoside,CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3",C7H14O5,,,,,,OHWCAVRRXKJCRB-PAMBMQIZSA-N,,,,,,,,,,,
100.038.348,242-199-9,18312-25-9,"(D-gluconato-O1,O2)(D-glycero-D-gluco-heptonato-O1,O2)magnesium","magnesium 2,3,4,5,6,7-hexahydroxyheptanoate 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",OCC(O)C(O)C(O)C(O)C(O)C(=O)O[Mg]OC(=O)C(O)C(O)C(O)C(O)CO,OCC(O)C(O)C(O)C(O)C(O)C(=O)O[Mg]OC(=O)C(O)C(O)C(O)C(O)CO,"InChI=1/C7H14O8.C6H12O7.Mg/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-6,8-13H,1H2,(H,14,15);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C13H24MgO15,,,,,,XFNNLUSRURIBKM-UHFFFAOYSA-L,,,,,,,,,,,
100.038.356,242-208-6,18319-93-2,4-methyl-2-oxo-2H-1-benzopyran-7-yl nonan-1-oate,4-methyl-2-oxo-2H-chromen-7-yl nonanoate,CCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C19H24O4/c1-3-4-5-6-7-8-9-18(20)22-15-10-11-16-14(2)12-19(21)23-17(16)13-15/h10-13H,3-9H2,1-2H3",C19H24O4,,,,,,IEJIWAFZZKFSFV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.357,242-209-1,18323-44-9,Clindamycin,"methyl 7-chloro-6,7,8-trideoxy-6-[(1-methyl-4-propyl-L-prolyl)amino]-1-thio-L-threo-alpha-D-galacto-octopyranoside",CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O,CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O,"InChI=1/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)",C18H33ClN2O5S,,,,,,KDLRVYVGXIQJDK-AWPVFWJPSA-N,,,,,,,,,,,
100.038.365,242-218-0,18338-88-0,5-butylidenefuran-2(5H)-one,5-butylidenefuran-2(5H)-one,O=C1\\C=C/C(=CCCC)O1,O=C1\C=C/C(=CCCC)O1,"InChI=1/C8H10O2/c1-2-3-4-7-5-6-8(9)10-7/h4-6H,2-3H2,1H3",C8H10O2,,,,,,PZXBJHQMLTXRDW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.366,242-219-6,18339-14-5,"2-[3-(dimethylamino)propyl]-1,2-benzisothiazol-3(2H)-one","2-[3-(dimethylamino)propyl]-1,2-benzisothiazol-3(2H)-one",CN(C)CCCN1Sc2ccccc2C1=O,CN(C)CCCN1Sc2ccccc2C1=O,"InChI=1/C12H16N2OS/c1-13(2)8-5-9-14-12(15)10-6-3-4-7-11(10)16-14/h3-4,6-7H,5,8-9H2,1-2H3",C12H16N2OS,,,,,,OGWXHSCYJOUWCU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.370,242-223-8,18343-30-1,"2,4-dichloro-6-ethoxy-1,3,5-triazine","2,4-dichloro-6-ethoxy-1,3,5-triazine",CCOc1nc(Cl)nc(Cl)n1,CCOc1nc(Cl)nc(Cl)n1,"InChI=1/C5H5Cl2N3O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3",C5H5Cl2N3O,,,,,,HMSBXLTWCMFPDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.755,239-348-5,15307-86-5,Diclofenac,"{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid",OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,"InChI=1/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",C14H11Cl2NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13096,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.755,DCOPUUMXTXDBNB-UHFFFAOYSA-N,Positive/Negative,AU114701|AU114702|AU114703|AU114704|AU114705;SM856902;EA020101|EA020102|EA020103|EA020104|EA020105|EA020106|EA020107|EA020108|EA020109|EA020110|EA020111|EA020112|EA020113|EA020114;UF409301|UF409302|UF409303|UF409304,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,250.0152:296.019:278.0098|215.0481:250.0151:214.0338|215.0462:217.0431:216.0434|214.0339:216.0322:215.0379|214.0338:216.0315:215.0415;215.0495:214.0417:250.0185;278.0136:250.0183:215.049|296.024:278.0135:250.0185|215.0496:250.0183:214.0417|215.0498:214.0419:250.0183|214.042:215.0496:180.0805|214.0419:180.0807:215.0493|214.0419:179.0729:178.0649|296.0239:278.0132:250.0184|215.0498:250.0184:214.0417|215.0497:214.0418:250.0185|214.0418:215.0494:180.0807|214.0418:180.0806:215.0498|214.0418:178.065:179.0728|278.0135:250.0182:215.0493;214.042:215.0497:180.081|214.042:180.0809:215.0499|278.0138:250.0188:215.0499|278.0138:250.0188:215.0499,Athens_Univ;CASMI_2016;Eawag;UFZ,SM856951;EA020151|EA020152|EA020153|EA020154|EA020155|EA020156|EA020158|EA020159|EA020160|EA020161|EA020162|EA020163|EA020164;UF409351|UF409352|UF409353|UF409354,[M-H]-;[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,250.0196:214.0429:294.0095;250.0198|250.0198:294.0094|250.0197:214.043|250.0198:214.0429:178.0669|214.043:178.0667|178.0666|250.0197:294.0092|250.0197:214.0429|250.0197:214.0431:178.0658|214.043:250.0192:178.0659|178.0661|178.0658:250.02|250.0198;250.0194:197.9606|197.96:250.0195|250.0195|250.0195,CASMI_2016;Eawag;UFZ
100.035.759,239-352-7,15310-01-7,Benodanil,2-iodo-N-phenylbenzamide,Ic1ccccc1C(=O)Nc2ccccc2,Ic1ccccc1C(=O)Nc2ccccc2,"InChI=1/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)",C13H10INO,,,,,,LJOZMWRYMKECFF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.776,239-371-0,15337-60-7,"Lauric acid, barium cadmium salt",-,[Cd+2].[Ba+2].CCCCCCCCCCCC(=O)[O-],[Cd+2].[Ba+2].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.Ba.Cd/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;2*+2/p-1",C12H24O2.xBa.xCd,,,,,,GDQLRTRAFQBKOA-UHFFFAOYSA-M,,,,,,,,,,,
100.035.779,239-374-7,15339-36-3,"Bis(dimethyldithiocarbamato-S,S')manganese",manganese(2+) bis(dimethyldithiocarbamate),CN(C)C(=S)S[Mn]SC(=S)N(C)C,CN(C)C(=S)S[Mn]SC(=S)N(C)C,"InChI=1/2C3H7NS2.Mn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2/rC6H12MnN2S4/c1-8(2)5(10)12-7-13-6(11)9(3)4/h1-4H3",C6H12MnN2S4,,,,,,KQUQKVGNBPTEFO-UHFFFAOYSA-L,,,,,,,,,,,
100.035.796,239-393-0,15358-22-2,"1-[(5a,7a)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone","1-(3,6-dimethoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan-7-yl)ethanone",COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@]6(OC)C=C[C@@]35C[C@@H]6C(=O)C,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@]6(OC)C=C[C@@]35C[C@@H]6C(=O)C,"InChI=1/C23H27NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-8,15,17,20H,9-12H2,1-4H3",C23H27NO4,,,,,,DGSADVAMZWFCMP-LLGZQOTFSA-N,,,,,,,,,,,
100.037.237,240-977-2,16920-93-7,Dipotassium hexabromoplatinate,dipotassium hexabromoplatinate(2-),[K+].[K+].Br[Pt-2](Br)(Br)(Br)(Br)Br,[K+].[K+].Br[Pt-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rBr6Pt.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",Br6Pt.2K,,,,,,LRBZJCBXMOGTCN-UHFFFAOYSA-H,,,,,,,,,,,
100.037.244,240-985-6,16923-95-8,Dipotassium hexafluorozirconate,dipotassium hexafluorozirconate(2-),[K+].[K+].F[Zr-2](F)(F)(F)(F)F,[K+].[K+].F[Zr-2](F)(F)(F)(F)F,"InChI=1/6FH.2K.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rF6Zr.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Zr.2K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13757,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.244,BJZIJOLEWHWTJO-UHFFFAOYSA-H,,,,,,,,,,,
100.032.752,236-043-9,13116-53-5,"1,2,2,3-tetrachloropropane","1,2,2,3-tetrachloropropane",ClCC(Cl)(Cl)CCl,ClCC(Cl)(Cl)CCl,"InChI=1/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2",C3H4Cl4,,,,,,UDPHJTAYHSSOQB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.754,236-046-5,13118-04-2,"N,N'-(o-phenylene)dimaleimide","1,1'-(1,2-phenylene)bis(1H-pyrrole-2,5-dione)",O=C1C=CC(=O)N1c2ccccc2N3C(=O)C=CC3=O,O=C1C=CC(=O)N1c2ccccc2N3C(=O)C=CC3=O,InChI=1/C14H8N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10(9)16-13(19)7-8-14(16)20/h1-8H,C14H8N2O4,,,,,,UFFVWIGGYXLXPC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.053,242-975-7,19341-56-1,Butylguanidine monohydrochloride,1-butylguanidine hydrochloride,Cl.CCCCNC(=N)N,Cl.CCCCNC(=N)N,"InChI=1/C5H13N3.ClH/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H4,6,7,8);1H",C5H13N3.ClH,,,,,,PBWYKHZQEJXPAA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.063,242-986-7,19354-27-9,Methyl tetrahydrofurfuryl ether,2-(methoxymethyl)tetrahydrofuran,COCC1CCCO1,COCC1CCCO1,"InChI=1/C6H12O2/c1-7-5-6-3-2-4-8-6/h6H,2-5H2,1H3",C6H12O2,,,,,,IEOPZUMPHCZMCS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.068,242-991-4,19357-45-0,"17,21-dihydroxypregn-4-ene-3,20-dione 17-acetate","21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO,"InChI=1/C23H32O5/c1-14(25)28-23(20(27)13-24)11-8-19-17-5-4-15-12-16(26)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,24H,4-11,13H2,1-3H3",C23H32O5,,,,,,MNQKQGFLLDOCEI-JZTHCNPZSA-N,,,,,,,,,,,
100.039.071,242-995-6,19361-62-7,(2H8)styrene,styrene,C=Cc1ccccc1,C=Cc1ccccc1,"InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",C8D8,,,,,,PPBRXRYQALVLMV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.072,242-996-1,19367-61-4,"6-bromo-2H-1,2,4-benzothiadiazine-7-sulphonamide 1,1-dioxide","6-bromo-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NS(=O)(=O)c1cc2c(cc1Br)N=CNS2(=O)=O,NS(=O)(=O)c1cc2c(cc1Br)N=CNS2(=O)=O,"InChI=1/C7H6BrN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)",C7H6BrN3O4S2,,,,,,CAAKQRQFOMKFGK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.076,243-000-8,19372-21-5,"Diphosphoric acid, copper(2+) salt",copper(2+) dihydrogen diphosphate,[Cu+2].OP(=O)(O)OP(=O)([O-])[O-],[Cu+2].OP(=O)(O)OP(=O)([O-])[O-],"InChI=1/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2",Cu.xH4O7P2,,,,,,LCSAYGBGVLEKPO-UHFFFAOYSA-L,,,,,,,,,,,
100.039.079,243-003-4,19374-99-3,Ethyl 3-ethyl-2-methylbenzothiazolium sulphate,"3-ethyl-2-methyl-1,3-benzothiazol-3-ium ethyl sulfate",CCOS(=O)(=O)[O-].CC[n+]1c(C)sc2ccccc12,CCOS(=O)(=O)[O-].CC[n+]1c(C)sc2ccccc12,"InChI=1/C10H12NS.C2H6O4S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-2-6-7(3,4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C10H12NS.C2H5O4S,,,,,,SEDPVLBQLWLFFH-UHFFFAOYSA-M,,,,,,,,,,,
100.039.084,243-009-7,19381-40-9,2-bromo-1-[3-(phenylmethoxy)phenyl]ethan-1-one,1-[3-(benzyloxy)phenyl]-2-bromoethanone,BrCC(=O)c1cccc(OCc2ccccc2)c1,BrCC(=O)c1cccc(OCc2ccccc2)c1,"InChI=1/C15H13BrO2/c16-10-15(17)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2",C15H13BrO2,,,,,,GFZOJLIHCWKKPR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.087,243-012-3,19387-54-3,2-[(4-nitrophenyl)thio]benzothiazole,"2-[(4-nitrophenyl)sulfanyl]-1,3-benzothiazole",[O-][N+](=O)c1ccc(Sc2nc3ccccc3s2)cc1,[O-][N+](=O)c1ccc(Sc2nc3ccccc3s2)cc1,InChI=1/C13H8N2O2S2/c16-15(17)9-5-7-10(8-6-9)18-13-14-11-3-1-2-4-12(11)19-13/h1-8H,C13H8N2O2S2,,,,,,CFKYGISPRYOSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.095,243-021-2,19395-58-5,Moquizone,"1-(morpholin-4-ylacetyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one",O=C(CN1CCOCC1)N2CN(C(=O)c3ccccc23)c4ccccc4,O=C(CN1CCOCC1)N2CN(C(=O)c3ccccc23)c4ccccc4,"InChI=1/C20H21N3O3/c24-19(14-21-10-12-26-13-11-21)23-15-22(16-6-2-1-3-7-16)20(25)17-8-4-5-9-18(17)23/h1-9H,10-15H2",C20H21N3O3,,,,,,VCRQLDNIOXNDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.927,241-736-4,17743-04-3,"Dihydro-6-imino-1,3-dimethyluracil","6-imino-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione",CN1C(=N)CC(=O)N(C)C1=O,CN1C(=N)CC(=O)N(C)C1=O,"InChI=1/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h7H,3H2,1-2H3",C6H9N3O2,,,,,,HBFKTNIVBGBQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.930,241-740-6,17745-84-5,"N,N'-[azinobis(methylidyne-4,1-phenylene)]bis(acetamide)",N-(4-formylphenyl)-N'-{1-[(4-formylphenyl)amino]ethylidene}ethanehydrazonamide,CC(=NN=C(C)Nc1ccc(C=O)cc1)Nc2ccc(C=O)cc2,CC(=NN=C(C)Nc1ccc(C=O)cc1)Nc2ccc(C=O)cc2,"InChI=1/C18H18N4O2/c1-13(19-17-7-3-15(11-23)4-8-17)21-22-14(2)20-18-9-5-16(12-24)6-10-18/h3-12H,1-2H3,(H,19,21)(H,20,22)",C18H18N4O2,,,,,,JXCKZXJGLRVCNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.940,241-751-6,17768-28-4,"Tricyclo[3.3.1.13,7]dec-1,3-diyldi(acetic acid)","2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiacetic acid",OC(=O)CC12CC3CC(CC(CC(=O)O)(C3)C1)C2,OC(=O)CC12CC3CC(CC(CC(=O)O)(C3)C1)C2,"InChI=1/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)",C14H20O4,,,,,,UTENGZNBNPABQE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.945,241-756-3,17773-41-0,2-hydroxy-4-(methylthio)butyronitrile,2-hydroxy-4-(methylsulfanyl)butanenitrile,CSCCC(O)C#N,CSCCC(O)C#N,"InChI=1/C5H9NOS/c1-8-3-2-5(7)4-6/h5,7H,2-3H2,1H3",C5H9NOS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10238,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.945,VWWOJJANXYSACS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.946,241-757-9,17774-72-0,"1,3-bis[(4-butylphenyl)methyl]-1H-imidazolium chloride","1,3-bis(4-butylbenzyl)-2,3-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCc1ccc(CN2C[NH+](Cc3ccc(CCCC)cc3)C=C2)cc1,[Cl-].CCCCc1ccc(CN2C[NH+](Cc3ccc(CCCC)cc3)C=C2)cc1,"InChI=1/C25H34N2.ClH/c1-3-5-7-22-9-13-24(14-10-22)19-26-17-18-27(21-26)20-25-15-11-23(12-16-25)8-6-4-2;/h9-18H,3-8,19-21H2,1-2H3;1H",C25H33N2.Cl,,,,,,MZMLXWAMPPGYHB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.176,260-712-4,57381-51-8,4-chloro-2-fluorobenzonitrile,4-chloro-2-fluorobenzonitrile,Fc1cc(Cl)ccc1C#N,Fc1cc(Cl)ccc1C#N,InChI=1/C7H3ClFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,C7H3ClFN,,,,,,JRDMGVGCATYZPW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.178,260-715-0,57382-97-5,Ethyl 2-thienylacetate,ethyl 2-thienylacetate,CCOC(=O)Cc1cccs1,CCOC(=O)Cc1cccs1,"InChI=1/C8H10O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3",C8H10O2S,,,,,,QSUANHXENVRFDN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.180,260-717-1,57390-38-2,"2,2-dimethoxy-1-methylethylamine","1,1-dimethoxypropan-2-amine",COC(OC)C(C)N,COC(OC)C(C)N,"InChI=1/C5H13NO2/c1-4(6)5(7-2)8-3/h4-5H,6H2,1-3H3",C5H13NO2,,,,,,GZOKAVHTSXSLNB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.181,260-718-7,57396-91-5,"2,4-bis(methylsulphonyl)phenylhydrazine","[2,4-bis(methylsulfonyl)phenyl]hydrazine",CS(=O)(=O)c1ccc(NN)c(c1)S(=O)(=O)C,CS(=O)(=O)c1ccc(NN)c(c1)S(=O)(=O)C,"InChI=1/C8H12N2O4S2/c1-15(11,12)6-3-4-7(10-9)8(5-6)16(2,13)14/h3-5,10H,9H2,1-2H3",C8H12N2O4S2,,,,,,PKDDCIXNDZLQGW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.183,260-720-8,57403-32-4,Butyl oct-2-enoate,butyl oct-2-enoate,CCCCOC(=O)C=CCCCCC,CCCCOC(=O)C=CCCCCC,"InChI=1/C12H22O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h9-10H,3-8,11H2,1-2H3",C12H22O2,,,,,,JACBBOONWJFMBB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.191,260-729-7,57415-36-8,"N-(2-pyridylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide","N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide",FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCc2ccccn2,FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCc2ccccn2,"InChI=1/C17H14F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h1-7H,8-10H2,(H,25,26)",C17H14F6N2O3,,,,,,YCKWLOJVFNPJAW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.192,260-730-2,57417-85-3,Isotridecyl mercaptoacetate,11-methyldodecyl sulfanylacetate,CC(C)CCCCCCCCCCOC(=O)CS,CC(C)CCCCCCCCCCOC(=O)CS,"InChI=1/C15H30O2S/c1-14(2)11-9-7-5-3-4-6-8-10-12-17-15(16)13-18/h14,18H,3-13H2,1-2H3",C15H30O2S,,,,,,HYBIDFUUNHAJDS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.203,260-743-3,57454-26-9,"3,6,9,12-tetraoxatridec-1-yl methacrylate","3,6,9,12-tetraoxatridec-1-yl methacrylate",COCCOCCOCCOCCOC(=O)C(=C)C,COCCOCCOCCOCCOC(=O)C(=C)C,"InChI=1/C13H24O6/c1-12(2)13(14)19-11-10-18-9-8-17-7-6-16-5-4-15-3/h1,4-11H2,2-3H3",C13H24O6,,,,,,KRCGBOKYIUDIFY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.205,260-745-4,57457-02-0,"[1S-(1a,3a,4a,6a)]-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol","3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol",CC1(C)C2CC(O)C(C)(O)CC12,CC1(C)C2CC(O)C(C)(O)CC12,"InChI=1/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3",C10H18O2,,,,,,AHVKNBRJVKCGKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.206,260-747-5,57457-72-4,"(±)-cis-7,8-epoxy-2-methyloctadecane",2-decyl-3-(5-methylhexyl)oxirane,CCCCCCCCCCC1OC1CCCCC(C)C,CCCCCCCCCCC1OC1CCCCC(C)C,"InChI=1/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3",C19H38O,,,,,,HFOFYNMWYRXIBP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.111,262-842-7,61556-47-6,2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamate,2-[(2-cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl butylcarbamate,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(=O)NCCCC)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(=O)NCCCC)cc2,"InChI=1/C22H26N6O4/c1-2-3-14-24-22(29)32-17-16-27(15-4-13-23)20-9-5-18(6-10-20)25-26-19-7-11-21(12-8-19)28(30)31/h5-12H,2-4,14-17H2,1H3,(H,24,29)",C22H26N6O4,,,,,,WFDRYDMTWFOSCK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.113,262-844-8,61563-18-6,"5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde","5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde",CC(C)(C)NCC(O)COc1cccc2CN(CCc12)C=O,CC(C)(C)NCC(O)COc1cccc2CN(CCc12)C=O,"InChI=1/C17H26N2O3/c1-17(2,3)18-9-14(21)11-22-16-6-4-5-13-10-19(12-20)8-7-15(13)16/h4-6,12,14,18,21H,7-11H2,1-3H3",C17H26N2O3,,,,,,GMJHUSJLZXFFQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.117,262-849-5,61565-22-8,(E)-1-chloro-6-(1-ethoxyethoxy)hex-2-ene,1-chloro-6-(1-ethoxyethoxy)hex-2-ene,CCOC(C)OCCC\\C=C\\CCl,CCOC(C)OCCC\C=C\CCl,"InChI=1/C10H19ClO2/c1-3-12-10(2)13-9-7-5-4-6-8-11/h4,6,10H,3,5,7-9H2,1-2H3",C10H19ClO2,,,,,,MUXGAZFAAQWFLD-GQCTYLIASA-N,,,,,,,,,,,
100.057.119,262-851-6,61565-24-0,(E)-tridec-4-en-7-yn-1-ol,tridec-4-en-7-yn-1-ol,CCCCCC#CC\\C=C\\CCCO,CCCCCC#CC\C=C\CCCO,"InChI=1/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,14H,2-5,8,11-13H2,1H3",C13H22O,,,,,,LDQDYJTYBDXDFI-MDZDMXLPSA-N,,,,,,,,,,,
100.057.124,262-856-3,61577-14-8,4-[[(heptadecafluorooctyl)sulphonyl]methylamino]butyl methacrylate,4-{[(heptadecafluorooctyl)sulfonyl](methyl)amino}butyl methacrylate,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C17H16F17NO4S/c1-8(2)9(36)39-7-5-4-6-35(3)40(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h1,4-7H2,2-3H3",C17H16F17NO4S,,,,,,DJKGXDGHCIHDPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.429,238-988-2,14918-39-9,"3,6-bis[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid","3,6-bis[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c6cc3cc(c(N=N\\C2=C(/C)N(C)N(c1ccccc1)C2=O)c(O)c3c(O)c6N=NC=5C(=O)N(c4ccccc4)N(C)C=5C)S(O)(=O)=O,OS(=O)(=O)c6cc3cc(c(N=N\C2=C(/C)N(C)N(c1ccccc1)C2=O)c(O)c3c(O)c6N=NC=5C(=O)N(c4ccccc4)N(C)C=5C)S(O)(=O)=O,"InChI=1/C32H28N8O10S2/c1-17-25(31(43)39(37(17)3)20-11-7-5-8-12-20)33-35-27-22(51(45,46)47)15-19-16-23(52(48,49)50)28(30(42)24(19)29(27)41)36-34-26-18(2)38(4)40(32(26)44)21-13-9-6-10-14-21/h5-16,41-42H,1-4H3,(H,45,46,47)(H,48,49,50)",C32H28N8O10S2,,,,,,SZVOKPKIXYMQHL-UHFFFAOYSA-N,,,,,,,,,,,
100.035.432,238-991-9,14919-77-8,"2'-(2,3,4-trihydroxybenzyl)-DL-serinohydrazide monohydrochloride","2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propanehydrazide hydrochloride (non-preferred name)",Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,"InChI=1/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H",C10H15N3O5.ClH,,,,,,ULFCBIUXQQYDEI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.438,238-998-7,14929-11-4,Simfibrate,"propane-1,3-diyl bis[2-(4-chlorophenoxy)-2-methylpropanoate]",CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc2ccc(Cl)cc2,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc2ccc(Cl)cc2,"InChI=1/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3",C23H26Cl2O6,,,,,,JLRNKCZRCMIVKA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.445,239-006-5,14933-33-6,"1-(carboxylatomethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium",[3-(2-hydroxyethyl)-2-undecylimidazolidin-1-ium-1-yl]acetate,CCCCCCCCCCCC1N(CCO)CC[NH+]1CC(=O)[O-],CCCCCCCCCCCC1N(CCO)CC[NH+]1CC(=O)[O-],"InChI=1/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-19(14-15-21)12-13-20(17)16-18(22)23/h17,21H,2-16H2,1H3,(H,22,23)",C18H34N2O3,,,,,,ZGQCTKIMCZFCBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.451,239-012-8,14936-97-1,"Sodium 3-[[3-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulphonate","sodium 3-({3-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxy-1-naphthyl}diazenyl)-4-hydroxybenzenesulfonate",[Na+].Oc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(C)cc1C)c2O)S([O-])(=O)=O,[Na+].Oc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(C)cc1C)c2O)S([O-])(=O)=O,"InChI=1/C25H21N3O6S.Na/c1-14-7-9-20(15(2)11-14)26-25(31)19-12-16-5-3-4-6-18(16)23(24(19)30)28-27-21-13-17(35(32,33)34)8-10-22(21)29;/h3-13,29-30H,1-2H3,(H,26,31)(H,32,33,34);/q;+1/p-1",C25H21N3O6S.Na,,,,,,LKSHJHJGLORTGD-UHFFFAOYSA-M,,,,,,,,,,,
100.031.734,234-921-6,12040-65-2,"1,2,3-Propanetriol, phosphate","2,3-dihydroxypropyl phosphate",OCC(O)COP(=O)([O-])[O-],OCC(O)COP(=O)([O-])[O-],"InChI=1/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2",-,,,,,,AWUCVROLDVIAJX-UHFFFAOYSA-L,,,,,,,,,,,
100.031.741,234-928-4,12042-37-4,"Aluminium, compound with lithium (1:1)",aluminum - lithium (1:1),[LiH].[AlH3],[LiH].[AlH3],InChI=1/Al.Li.4H/q+3;+1;;;;/rAlH3.HLi/h1H3;1H/q+3;+1,Al.Li,,,,,,NPHJXIFYJQQNPG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.745,234-933-1,12042-91-0,Dialuminium chloride pentahydroxide,dialuminium chloride pentahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-],[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-],InChI=1/2Al.ClH.5H2O/h;;1H;5*1H2/q2*+3;;;;;;/p-6,Al2ClH5O5,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15326,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.745,ZGRQKCWNBYXGOB-UHFFFAOYSA-H,,,,,,,,,,,
100.031.749,234-937-3,12043-27-5,"Aluminium, compound with samarium (2:1)",aluminum - samarium (2:1),[AlH3].[AlH3].[Sm],[AlH3].[AlH3].[Sm],InChI=1/2Al.Sm.6H/q2*+3;+2;;;;;;/r2AlH3.Sm/h2*1H3;/q2*+3;+2,Al.Sm,,,,,,SGHKKBQXGRIMCF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.753,234-942-0,12043-43-5,"Aluminium, compound with thorium (3:1)",aluminum - thorium (3:1),[AlH3].[AlH3].[AlH3].[Th],[AlH3].[AlH3].[AlH3].[Th],InChI=1/3Al.Th.9H/q3*+3;+2;;;;;;;;;/r3AlH3.Th/h3*1H3;/q3*+3;+2,Al.Th,,,,,,ICXYUVIXFWEMEU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.756,234-945-7,12043-69-5,"Aluminium, compound with manganese (6:1)",aluminum - manganese (6:1),[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Mn],[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Mn],InChI=1/6Al.Mn.18H/q6*+3;+2;;;;;;;;;;;;;;;;;;/r6AlH3.Mn/h6*1H3;/q6*+3;+2,Al.Mn,,,,,,PITWWGFPVNTASR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.766,234-956-7,12044-55-2,Zinc diarsenide,zinc bis[arsinidenearsenate(1-)],[Zn+2].[AsH]=[AsH2-].[AsH]=[AsH2-],[Zn+2].[AsH]=[AsH2-].[AsH]=[AsH2-],"InChI=1/2As2H3.Zn/c2*1-2;/h2*1H,2H2;/q2*-1;+2",As2Zn,,,,,,CTONGRYVRKTIFO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.013,235-228-1,12136-58-2,"Lithium sulphide, anhydrous",-,[Li+].S,[Li+].S,InChI=1/Li.H2S/h;1H2/q+1;,Li2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17442,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.013,HXQGSILMFTUKHI-UHFFFAOYSA-N,,,,,,,,,,,
100.032.036,235-253-8,12141-46-7,Aluminium silicate,aluminium silicate,[Al+3].[Al+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Al+3].[Al+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Al.3O3Si/c;;3*1-4(2)3/q2*+3;3*-2,Al2O5Si,,,,,,PGZIKUPSQINGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.034.624,238-104-5,14235-45-1,4-isopropyl-m-phenylenediamine,"4-isopropylbenzene-1,3-diamine",CC(C)c1ccc(N)cc1N,CC(C)c1ccc(N)cc1N,"InChI=1/C9H14N2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6H,10-11H2,1-2H3",C9H14N2,,,,,,IPDXWXPSCKSIII-UHFFFAOYSA-N,,,,,,,,,,,
100.036.132,239-762-6,15679-24-0,"2,7-dimethylpyrene","2,7-dimethylpyrene",Cc1cc2ccc3cc(C)cc4ccc(c1)c2c34,Cc1cc2ccc3cc(C)cc4ccc(c1)c2c34,"InChI=1/C18H14/c1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16/h3-10H,1-2H3",C18H14,,,,,,GSKHIRFMTJUBSM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.140,239-771-5,15686-33-6,Biclotymol,"2,2'-methylenebis(4-chloro-6-isopropyl-3-methylphenol)",CC(C)c1cc(Cl)c(C)c(Cc2c(C)c(Cl)cc(C(C)C)c2O)c1O,CC(C)c1cc(Cl)c(C)c(Cc2c(C)c(Cl)cc(C(C)C)c2O)c1O,"InChI=1/C21H26Cl2O2/c1-10(2)14-8-18(22)12(5)16(20(14)24)7-17-13(6)19(23)9-15(11(3)4)21(17)25/h8-11,24-25H,7H2,1-6H3",C21H26Cl2O2,,,,,,HNOOXWDWUSLXOB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.152,239-784-6,15687-27-1,Ibuprofen,2-(4-isobutylphenyl)propanoic acid,CC(C)Cc1ccc(cc1)C(C)C(=O)O,CC(C)Cc1ccc(cc1)C(C)C(=O)O,"InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)",C13H18O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1270,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.152,HEFNNWSXXWATRW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.155,239-787-2,15690-38-7,(6R-trans)-7-amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CO,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CO,"InChI=1/C8H10N2O4S/c9-4-6(12)10-5(8(13)14)3(1-11)2-15-7(4)10/h4,7,11H,1-2,9H2,(H,13,14)",C8H10N2O4S,,,,,,BQIMPGFMMOZASS-FFWSUHOLSA-N,,,,,,,,,,,
100.036.156,239-788-8,15690-54-7,"Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate","bis(4-nitrophenyl) (4-methyl-1,3-phenylene)biscarbamate",Cc1ccc(NC(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1NC(=O)Oc3ccc(cc3)[N+](=O)[O-],Cc1ccc(NC(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1NC(=O)Oc3ccc(cc3)[N+](=O)[O-],"InChI=1/C21H16N4O8/c1-13-2-3-14(22-20(26)32-17-8-4-15(5-9-17)24(28)29)12-19(13)23-21(27)33-18-10-6-16(7-11-18)25(30)31/h2-12H,1H3,(H,22,26)(H,23,27)",C21H16N4O8,,,,,,DNVSZCZZFZEHDP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.159,239-791-4,15698-46-1,"Bis(ethyl 3-oxobutyrato-O1',O3)(propan-2-olato)aluminium",aluminum bis(4-ethoxy-4-oxobut-2-en-2-olate) propan-2-olate,CCOC(=O)C=C(C)O[Al](OC(C)C)OC(=CC(=O)OCC)C,CCOC(=O)C=C(C)O[Al](OC(C)C)OC(=CC(=O)OCC)C,"InChI=1/2C6H10O3.C3H7O.Al/c2*1-3-9-6(8)4-5(2)7;1-3(2)4;/h2*4,7H,3H2,1-2H3;3H,1-2H3;/q;;-1;+3/p-2/rC15H25AlO7/c1-7-19-14(17)9-12(5)22-16(21-11(3)4)23-13(6)10-15(18)20-8-2/h9-11H,7-8H2,1-6H3",C15H25AlO7,,,,,,UNYLUPUUYJVCNE-UHFFFAOYSA-L,,,,,,,,,,,
100.036.163,239-796-1,15702-34-8,Manganese(2+) selenite,manganese(2+) selenite,[Mn+2].[O-][Se](=O)[O-],[Mn+2].[O-][Se](=O)[O-],"InChI=1/Mn.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",H2O3Se.Mn,,,,,,SPIYQYGYWIXNHE-UHFFFAOYSA-L,,,,,,,,,,,
100.036.164,239-797-7,15705-70-1,Strontium tetracyanoplatinate,strontium tetrakis(cyano-kappaC)platinate(2-),[Sr+2].N#C[Pt-2](C#N)(C#N)C#N,[Sr+2].N#C[Pt-2](C#N)(C#N)C#N,"InChI=1/4CN.Pt.Sr/c4*1-2;;/q;;;;;+2/rC4N4Pt.Sr/c5-1-9(2-6,3-7)4-8;/q;+2",C4N4Pt.Sr,,,,,,NKOOJRPVDGLFJM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.166,239-799-8,15707-23-0,2-ethyl-3-methylpyrazine,2-ethyl-3-methylpyrazine,CCc1nccnc1C,CCc1nccnc1C,"InChI=1/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3",C7H10N2,,,,,,LNIMMWYNSBZESE-UHFFFAOYSA-N,,,,,,,,,,,
100.032.395,235-649-0,12410-14-9,Iron chloride sulphate,iron(3+) chloride sulfate,[Cl-].[Fe+3].[O-]S([O-])(=O)=O,[Cl-].[Fe+3].[O-]S([O-])(=O)=O,"InChI=1/ClH.Fe.H2O4S/c;;1-5(2,3)4/h1H;;(H2,1,2,3,4)/q;+3;/p-3",ClFeO4S,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15240,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.395,QJBTZWUJJBSGPI-UHFFFAOYSA-K,,,,,,,,,,,
100.032.400,235-654-8,12427-38-2,Maneb,"manganese(2+) ethane-1,2-diylbis(dithiocarbamate)",[Mn+2].[S-]C(=S)NCCNC(=S)[S-],[Mn+2].[S-]C(=S)NCCNC(=S)[S-],"InChI=1/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2",C4H6MnN2S4,,,,,,YKSNLCVSTHTHJA-UHFFFAOYSA-L,,,,,,,,,,,
100.032.420,235-676-8,12503-49-0,"Antimony, compound with nickel (1:3)",-,[Ni].[Ni].[Ni].[Sb],[Ni].[Ni].[Ni].[Sb],InChI=1/3Ni.Sb/q3*+2;+3,Ni.Sb,,,,,,KVODRKGILKZGAK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.434,235-692-5,12532-80-8,Strontium bis[dithioxolanthanate(1-)],strontium bis[dithioxolanthanate(1-)],[Sr+2].S=[La-]=S.S=[La-]=S,[Sr+2].S=[La-]=S.S=[La-]=S,InChI=1/2La.4S.Sr/q2*-1;;;;;+2/r2LaS2.Sr/c2*2-1-3;/q2*-1;+2,LaS2.1/2Sr,,,,,,XBEHTBTXKDRPRK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.818,239-416-4,15396-36-8,"2-chloro-3,5-diiodobenzoic acid","2-chloro-3,5-diiodobenzoic acid",OC(=O)c1cc(I)cc(I)c1Cl,OC(=O)c1cc(I)cc(I)c1Cl,"InChI=1/C7H3ClI2O2/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2H,(H,11,12)",C7H3ClI2O2,,,,,,ZNJCYNGNDYEMAA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.949,241-761-0,17781-31-6,"a,a-bis(4-chlorophenyl)pyridine-3-methanol",bis(4-chlorophenyl)(pyridin-3-yl)methanol,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3cccnc3,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3cccnc3,"InChI=1/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H",C18H13Cl2NO,,,,,,NBNTWDUNCHRWMT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.952,241-764-7,17786-43-5,"Tetrabutylphosphonium acetate, compound with acetic acid",tetrabutylphosphonium acetate - acetic acid (1:1),CCCC[P+](CCCC)(CCCC)CCCC.CC(=O)O.CC(=O)[O-],CCCC[P+](CCCC)(CCCC)CCCC.CC(=O)O.CC(=O)[O-],"InChI=1/C16H36P.2C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-2(3)4/h5-16H2,1-4H3;2*1H3,(H,3,4)/q+1;;/p-1",C16H36P.C2H4O2.C2H3O2,,,,,,BZPUUPVCWNNZKW-UHFFFAOYSA-M,,,,,,,,,,,
100.037.964,241-777-8,17804-51-2,"Trisodium 8-[[3-[(3-aminobenzoyl)amino]-4-methylbenzoyl]amino]naphthalene-1,3,5-trisulphonate","trisodium 8-({3-[(3-aminobenzoyl)amino]-4-methylbenzoyl}amino)naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C25H21N3O11S3.3Na/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39;;;/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3",C25H21N3O11S3.3Na,,,,,,LVYRDRZCPZDCCY-UHFFFAOYSA-K,,,,,,,,,,,
100.037.968,241-782-5,17814-85-6,(4-carboxybutyl)triphenylphosphonium bromide,(4-carboxybutyl)(triphenyl)phosphonium bromide,[Br-].OC(=O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].OC(=O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H",C23H24O2P.Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16755,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.968,MLOSJPZSZWUDSK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.750,240-442-3,16391-75-6,"(4a,8a,9ß,13a,14ß,17Z)-16ß-acetoxy-3a,11a-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid, compound with 2,2'-iminodiethanol (1:1)","2-(16-acetoxy-11-hydroxy-4,8,10,14-tetramethylgonan-17-ylidene)-6-methylhept-5-enoic acid",CC1CCCC2(C)C1CCC3(C)C2C(O)CC4C(=C(CCC=C(C)C)C(=O)O)C(CC34C)OC(=O)C,CC1CCCC2(C)C1CCC3(C)C2C(O)CC4C(=C(CCC=C(C)C)C(=O)O)C(CC34C)OC(=O)C,"InChI=1/C31H48O5/c1-18(2)10-8-12-21(28(34)35)26-23-16-24(33)27-29(5)14-9-11-19(3)22(29)13-15-30(27,6)31(23,7)17-25(26)36-20(4)32/h10,19,22-25,27,33H,8-9,11-17H2,1-7H3,(H,34,35)",C31H48O6.C4H11NO2,,,,,,LZZUBYRACGDTGF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.751,240-443-9,16394-44-8,"2,2'-[cyclohexane-1,4-diylbis(oxy)]bisethanol","2,2'-[cyclohexane-1,4-diylbis(oxy)]diethanol",OCCOC1CCC(CC1)OCCO,OCCOC1CCC(CC1)OCCO,"InChI=1/C10H20O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h9-12H,1-8H2",C10H20O4,,,,,,LBTDHCQNAQRHCE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.753,240-446-5,16397-74-3,2-ethylhexyl cyclohexanecarboxylate,2-ethylhexyl cyclohexanecarboxylate,CCCCC(CC)COC(=O)C1CCCCC1,CCCCC(CC)COC(=O)C1CCCCC1,"InChI=1/C15H28O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3",C15H28O2,,,,,,LIIGSIGMAHCMQM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.754,240-447-0,16397-75-4,2-ethylhexyl hexanoate,2-ethylhexyl hexanoate,CCCCCC(=O)OCC(CC)CCCC,CCCCCC(=O)OCC(CC)CCCC,"InChI=1/C14H28O2/c1-4-7-9-11-14(15)16-12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3",C14H28O2,,,,,,QRNFTMKPBPCPJO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.755,240-448-6,16397-78-7,2-ethylhexyl cinnamate,2-ethylhexyl 3-phenylacrylate,CCCCC(CC)COC(=O)\\C=C\\c1ccccc1,CCCCC(CC)COC(=O)\C=C\c1ccccc1,"InChI=1/C17H24O2/c1-3-5-9-15(4-2)14-19-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3",C17H24O2,,,,,,OUCGLXKNITVPJS-OUKQBFOZSA-N,,,,,,,,,,,
100.036.757,240-450-7,16400-13-8,7-methylindan-4-ol,7-methylindan-4-ol,Cc1ccc(O)c2CCCc12,Cc1ccc(O)c2CCCc12,"InChI=1/C10H12O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6,11H,2-4H2,1H3",C10H12O,,,,,,XHMLXYGITDAGDN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.758,240-451-2,16400-32-1,1-bromopent-2-yne,1-bromopent-2-yne,CCC#CCBr,CCC#CCBr,"InChI=1/C5H7Br/c1-2-3-4-5-6/h2,5H2,1H3",C5H7Br,,,,,,VDHGRVFJBGRHMD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.763,240-457-5,16409-43-1,Tetrahydro-4-methyl-2-(2-methylprop-1-enyl)pyran,4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran,CC1CCOC(C1)C=C(C)C,CC1CCOC(C1)C=C(C)C,"InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3",C10H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19099,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.763,CZCBTSFUTPZVKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.766,240-460-1,16409-46-4,Menthyl isovalerate,2-isopropyl-5-methylcyclohexyl 3-methylbutanoate,O=C(OC1CC(C)CCC1C(C)C)CC(C)C,O=C(OC1CC(C)CCC1C(C)C)CC(C)C,"InChI=1/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3",C15H28O2,,,,,,VYQSSWZYPCCBRN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.767,240-461-7,16411-32-8,"N,N'-dicyclohexyl-1,1-dimethylsilanediamine","N,N'-dicyclohexyl-1,1-dimethylsilanediamine",C[Si](C)(NC1CCCCC1)NC2CCCCC2,C[Si](C)(NC1CCCCC1)NC2CCCCC2,"InChI=1/C14H30N2Si/c1-17(2,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h13-16H,3-12H2,1-2H3",C14H30N2Si,,,,,,PLUXWTRVVOADTC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.768,240-462-2,16411-33-9,"N,N',N''-tributyl-1-methylsilanetriamine","N,N',N''-tributyl-1-methylsilanetriamine",CCCCN[Si](C)(NCCCC)NCCCC,CCCCN[Si](C)(NCCCC)NCCCC,"InChI=1/C13H33N3Si/c1-5-8-11-14-17(4,15-12-9-6-2)16-13-10-7-3/h14-16H,5-13H2,1-4H3",C13H33N3Si,,,,,,GJQSLHYMHWQOQY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.755,264-649-3,64063-37-2,"2,6-dichloro-m-toluidine","2,6-dichloro-3-methylaniline",Cc1ccc(Cl)c(N)c1Cl,Cc1ccc(Cl)c(N)c1Cl,"InChI=1/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3",C7H7Cl2N,,,,,,AYVZXDFCFQSWJD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.762,264-657-7,64071-87-0,3-[(2-chloro-4-nitrophenyl)azo]-9H-carbazole,3-[(2-chloro-4-nitrophenyl)diazenyl]-9H-carbazole,[O-][N+](=O)c4ccc(N=Nc1cc2c3ccccc3nc2cc1)c(Cl)c4,[O-][N+](=O)c4ccc(N=Nc1cc2c3ccccc3nc2cc1)c(Cl)c4,"InChI=1/C18H11ClN4O2/c19-15-10-12(23(24)25)6-8-18(15)22-21-11-5-7-17-14(9-11)13-3-1-2-4-16(13)20-17/h1-10,20H",C18H11ClN4O2,,,,,,SZVQEOMBVJZINC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.768,264-664-5,64086-73-3,1-[2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]-4-methylpyridinium chloride,1-[2-({2-chloro-4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethyl]-4-methylpyridinium chloride,[Cl-].Cc3cc[n+](CCNc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2Cl)cc3,[Cl-].Cc3cc[n+](CCNc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2Cl)cc3,"InChI=1/C20H19ClN5O2.ClH/c1-15-8-11-25(12-9-15)13-10-22-20-7-4-17(14-19(20)21)24-23-16-2-5-18(6-3-16)26(27)28;/h2-9,11-12,14,22H,10,13H2,1H3;1H/q+1;/p-1",C20H19ClN5O2.Cl,,,,,,DJJBNWJHPZGBMV-UHFFFAOYSA-M,,,,,,,,,,,
100.058.769,264-665-0,64086-81-3,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydrogen sulphate","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H20Cl2N5O2.H2O4S.H2/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;1-5(2,3)4;/h3-11,14-15H,2,12-13H2,1H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C21H20Cl2N5O2.HO4S,,,,,,WWVHJFVMRCTKCV-UHFFFAOYSA-M,,,,,,,,,,,
100.058.771,264-667-1,64086-96-0,"2-acetyl-1-amino-4-[[4-[(1-methylethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]anthraquinone","2-acetyl-1-amino-4-{[4-(isopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino}-9,10-anthraquinone",CC(C)Nc1nc(Nc2cc(C(=O)C)c(N)c3C(=O)c4ccccc4C(=O)c23)nc(n1)c5ccccc5,CC(C)Nc1nc(Nc2cc(C(=O)C)c(N)c3C(=O)c4ccccc4C(=O)c23)nc(n1)c5ccccc5,"InChI=1/C28H24N6O3/c1-14(2)30-27-32-26(16-9-5-4-6-10-16)33-28(34-27)31-20-13-19(15(3)35)23(29)22-21(20)24(36)17-11-7-8-12-18(17)25(22)37/h4-14H,29H2,1-3H3,(H2,30,31,32,33,34)",C28H24N6O3,,,,,,ZNPYBNNSPKOGPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.773,264-669-2,64092-48-4,"Sodium 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate","sodium [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate",[Na+].Cc1cc(CC(=O)[O-])n(C)c1C(=O)c2ccc(Cl)cc2,[Na+].Cc1cc(CC(=O)[O-])n(C)c1C(=O)c2ccc(Cl)cc2,"InChI=1/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1",C15H14ClNO3.Na,,,,,,SEEXPXUCHVGZGU-UHFFFAOYSA-M,,,,,,,,,,,
100.061.389,267-548-2,67875-33-6,"2,5-dimethoxy-4-[(4-sulphophenyl)azo]benzenediazonium chloride","2,5-dimethoxy-4-[(4-sulfophenyl)diazenyl]benzenediazonium chloride",[Cl-].COc2cc([N+]#N)c(cc2N=Nc1ccc(cc1)S(O)(=O)=O)OC,[Cl-].COc2cc([N+]#N)c(cc2N=Nc1ccc(cc1)S(O)(=O)=O)OC,"InChI=1/C14H12N4O5S.ClH/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)24(19,20)21;/h3-8H,1-2H3;1H",C14H13N4O5S.Cl,,,,,,SZIPUYPJOVNVAC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.408,267-569-7,67892-37-9,"1-(2-carboxylatoethyl)-2-(heptadec-8-enyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium","3-[2-heptadec-8-en-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium-1-yl]propanoate",OCC[N+]1(CCC([O-])=O)CC\\N=C1\\CCCCCCCC=CCCCCCCCC,OCC[N+]1(CCC([O-])=O)CC\N=C1\CCCCCCCC=CCCCCCCCC,"InChI=1/C25H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-21-27(24,22-23-28)20-18-25(29)30/h9-10,28H,2-8,11-23H2,1H3",C25H46N2O3,,,,,,HZQUHSAZKBXDKE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.410,267-571-8,67892-39-1,Strontium 4-[(3-chloro-2-methyl-5-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1),strontium 4-[(3-chloro-2-methyl-5-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[SrH2].Cc3c(N=Nc1c2ccccc2cc(C([O-])=O)c1O)cc(cc3Cl)S([O-])(=O)=O,[SrH2].Cc3c(N=Nc1c2ccccc2cc(C([O-])=O)c1O)cc(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Sr.2H/c1-9-14(19)7-11(28(25,26)27)8-15(9)20-21-16-12-5-3-2-4-10(12)6-13(17(16)22)18(23)24;;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;;/q;+2;;/p-2/rC18H13ClN2O6S.H2Sr/c1-9-14(19)7-11(28(25,26)27)8-15(9)20-21-16-12-5-3-2-4-10(12)6-13(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);1H2/q;+2/p-2",C18H13ClN2O6S.Sr,,,,,,JGEMCYQAAYQHRW-UHFFFAOYSA-L,,,,,,,,,,,
100.061.411,267-572-3,67892-40-4,Calcium 4-[(3-chloro-2-methyl-5-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,calcium 4-[(3-chloro-2-methyl-5-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ca+2].Cc3c(N=Nc1c2ccccc2cc(C([O-])=O)c1O)cc(cc3Cl)S([O-])(=O)=O,[Ca+2].Cc3c(N=Nc1c2ccccc2cc(C([O-])=O)c1O)cc(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ca/c1-9-14(19)7-11(28(25,26)27)8-15(9)20-21-16-12-5-3-2-4-10(12)6-13(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ca,,,,,,JATZAHVTOPMNOD-UHFFFAOYSA-L,,,,,,,,,,,
100.061.415,267-577-0,67892-44-8,5-chloro-4-ethyl-2-nitrobenzenesulphonic acid,5-chloro-4-ethyl-2-nitrobenzenesulfonic acid,CCc1cc(c(cc1Cl)S(=O)(=O)O)[N+](=O)[O-],CCc1cc(c(cc1Cl)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C8H8ClNO5S/c1-2-5-3-7(10(11)12)8(4-6(5)9)16(13,14)15/h3-4H,2H2,1H3,(H,13,14,15)",C8H8ClNO5S,,,,,,YWMDVYNTTKZDBR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.417,267-579-1,67892-46-0,3-amino-5-chloro-4-ethylbenzenesulphonic acid,3-amino-5-chloro-4-ethylbenzenesulfonic acid,CCc1c(N)cc(cc1Cl)S(=O)(=O)O,CCc1c(N)cc(cc1Cl)S(=O)(=O)O,"InChI=1/C8H10ClNO3S/c1-2-6-7(9)3-5(4-8(6)10)14(11,12)13/h3-4H,2,10H2,1H3,(H,11,12,13)",C8H10ClNO3S,,,,,,ZXFQJBRYWYWLAM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.707,261-298-8,58505-59-2,2-[3-(triethoxysilyl)propyl]isothiouronium chloride,amino{[3-(triethoxysilyl)propyl]sulfanyl}methaniminium chloride,[Cl-].CCO[Si](CCCSC(=[NH2+])N)(OCC)OCC,[Cl-].CCO[Si](CCCSC(=[NH2+])N)(OCC)OCC,"InChI=1/C10H24N2O3SSi.ClH/c1-4-13-17(14-5-2,15-6-3)9-7-8-16-10(11)12;/h4-9H2,1-3H3,(H3,11,12);1H",C10H24N2O3SSi.ClH,,,,,,VPHRVBKKRRDYTC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.709,261-300-7,58505-91-2,1-octyl-5-oxopyrrolidine-3-carboxylic acid,1-octyl-5-oxopyrrolidine-3-carboxylic acid,CCCCCCCCN1CC(CC1=O)C(=O)O,CCCCCCCCN1CC(CC1=O)C(=O)O,"InChI=1/C13H23NO3/c1-2-3-4-5-6-7-8-14-10-11(13(16)17)9-12(14)15/h11H,2-10H2,1H3,(H,16,17)",C13H23NO3,,,,,,KTVSYQGGEIIOPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.711,261-302-8,58509-83-4,"Potassium 3,6-dichloropyridine-2-carboxylate","potassium 3,6-dichloropyridine-2-carboxylate",[K+].[O-]C(=O)c1nc(Cl)ccc1Cl,[K+].[O-]C(=O)c1nc(Cl)ccc1Cl,"InChI=1/C6H3Cl2NO2.K/c7-3-1-2-4(8)9-5(3)6(10)11;/h1-2H,(H,10,11);/q;+1/p-1",C6H3Cl2NO2.K,,,,,,RLQCYSVYYHHLIL-UHFFFAOYSA-M,,,,,,,,,,,
100.055.712,261-303-3,58510-12-6,Tridecane-1-sulphonyl chloride,tridecane-1-sulfonyl chloride,CCCCCCCCCCCCCS(=O)(=O)Cl,CCCCCCCCCCCCCS(=O)(=O)Cl,"InChI=1/C13H27ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h2-13H2,1H3",C13H27ClO2S,,,,,,WDVSPAVGNNSMEC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.714,261-305-4,58521-43-0,"3-(3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl)-1H-indole-7-carboxylic acid","3-(3-oxo-1H,3H-benzo[de]isochromen-1-yl)-1H-indole-7-carboxylic acid",OC(=O)c1cccc2c(c[nH]c12)C3OC(=O)c4cccc5cccc3c45,OC(=O)c1cccc2c(c[nH]c12)C3OC(=O)c4cccc5cccc3c45,"InChI=1/C21H13NO4/c23-20(24)15-9-3-6-12-16(10-22-18(12)15)19-13-7-1-4-11-5-2-8-14(17(11)13)21(25)26-19/h1-10,19,22H,(H,23,24)",C21H13NO4,,,,,,DSJFZDVMXDFITE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.720,261-312-2,58534-64-8,"3,4-diacetoxybenzoic acid","3,4-diacetoxybenzoic acid",CC(=O)Oc1ccc(cc1OC(=O)C)C(=O)O,CC(=O)Oc1ccc(cc1OC(=O)C)C(=O)O,"InChI=1/C11H10O6/c1-6(12)16-9-4-3-8(11(14)15)5-10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)",C11H10O6,,,,,,FJVSTYFZOUSZCS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.735,261-329-5,58564-96-8,(3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"3-chloro-2-hydroxy-N-[2-(methacryloyloxy)ethyl]-N,N-dimethylpropan-1-aminium chloride",[Cl-].CC(=C)C(=O)OCC[N+](C)(C)CC(O)CCl,[Cl-].CC(=C)C(=O)OCC[N+](C)(C)CC(O)CCl,"InChI=1/C11H21ClNO3.ClH/c1-9(2)11(15)16-6-5-13(3,4)8-10(14)7-12;/h10,14H,1,5-8H2,2-4H3;1H/q+1;/p-1",C11H21ClNO3.Cl,,,,,,QKVJMFRCFAEEQY-UHFFFAOYSA-M,,,,,,,,,,,
100.055.736,261-330-0,58566-44-2,"N,N-bis(2-hydroxyethyl)benzamide","N,N-bis(2-hydroxyethyl)benzamide",OCCN(CCO)C(=O)c1ccccc1,OCCN(CCO)C(=O)c1ccccc1,"InChI=1/C11H15NO3/c13-8-6-12(7-9-14)11(15)10-4-2-1-3-5-10/h1-5,13-14H,6-9H2",C11H15NO3,,,,,,LOTWRKOXHCMWDB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.738,261-332-1,58567-11-6,(ethoxymethoxy)cyclododecane,(ethoxymethoxy)cyclododecane,CCOCOC1CCCCCCCCCCC1,CCOCOC1CCCCCCCCCCC1,"InChI=1/C15H30O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3",C15H30O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5943,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.738,VQNUNMBDOKEZHS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.216,260-758-5,57477-12-0,Diethyl (3-pyridylmethyl)malonate,diethyl (pyridin-3-ylmethyl)malonate,CCOC(=O)C(Cc1cccnc1)C(=O)OCC,CCOC(=O)C(Cc1cccnc1)C(=O)OCC,"InChI=1/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)8-10-6-5-7-14-9-10/h5-7,9,11H,3-4,8H2,1-2H3",C13H17NO4,,,,,,GBCNXGKAGMMHMV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.222,260-764-8,57486-68-7,Methyl (2-chlorophenyl)acetate,methyl (2-chlorophenyl)acetate,COC(=O)Cc1ccccc1Cl,COC(=O)Cc1ccccc1Cl,"InChI=1/C9H9ClO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3",C9H9ClO2,,,,,,KHBWTRFWQROKJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.224,260-766-9,57491-35-7,"(3Z,13E)-octadeca-3,13-dienyl acetate","octadeca-3,13-dien-1-yl acetate",CCCC\\C=C\\CCCCCCCC\\C=C/CCOC(=O)C,CCCC\C=C\CCCCCCCC\C=C/CCOC(=O)C,"InChI=1/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3",C20H36O2,,,,,,VVJPJXKHBZNADP-NGLZPYLXSA-N,,,,,,,,,,,
100.055.225,260-767-4,57491-53-9,"3,6,9,12,15,18,21,24-octaoxahexacosane-1,26-diyl diacrylate","28-oxo-3,6,9,12,15,18,21,24,27-nonaoxatriacont-29-en-1-yl acrylate (non-preferred name)",C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=C,C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=C,"InChI=1/C24H42O12/c1-3-23(25)35-21-19-33-17-15-31-13-11-29-9-7-27-5-6-28-8-10-30-12-14-32-16-18-34-20-22-36-24(26)4-2/h3-4H,1-2,5-22H2",C24H42O12,,,,,,JDPZLHCKBWMLDH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.229,260-772-1,57499-57-7,"1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one","1-[1,6-dimethyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]ethanone",CC1CC(=CCC1(C)C(=O)C)CCC=C(C)C,CC1CC(=CCC1(C)C(=O)C)CCC=C(C)C,"InChI=1/C16H26O/c1-12(2)7-6-8-15-9-10-16(5,14(4)17)13(3)11-15/h7,9,13H,6,8,10-11H2,1-5H3",C16H26O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10536,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.229,QKKSNZVRCDPKTC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.825,242-724-1,18989-81-6,"2,6-bis(o-chlorobenzylidene)cyclohexan-1-one","2,6-bis(2-chlorobenzylidene)cyclohexanone",Clc3ccccc3C=C2CCCC(=Cc1ccccc1Cl)C2=O,Clc3ccccc3C=C2CCCC(=Cc1ccccc1Cl)C2=O,"InChI=1/C20H16Cl2O/c21-18-10-3-1-6-14(18)12-16-8-5-9-17(20(16)23)13-15-7-2-4-11-19(15)22/h1-4,6-7,10-13H,5,8-9H2",C20H16Cl2O,,,,,,QLOHWWSWUAXAGS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.827,242-726-2,18990-72-2,Aluminium tridocosanoate,aluminum tridocosanoate,[Al+3].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C22H44O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h3*2-21H2,1H3,(H,23,24);/q;;;+3/p-3",C22H44O2.1/3Al,,,,,,BBMXVTPBLPQMAE-UHFFFAOYSA-K,,,,,,,,,,,
100.038.829,242-728-3,18991-15-6,"N,N-diethyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine","N,N-diethyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine",CCN(CC)CCNc1onc(n1)c2ccccc2,CCN(CC)CCNc1onc(n1)c2ccccc2,"InChI=1/C14H20N4O/c1-3-18(4-2)11-10-15-14-16-13(17-19-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,16,17)",C14H20N4O,,,,,,HFXOMPIWXDVHSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.830,242-729-9,18991-98-5,Butyl bromoacetate,butyl bromoacetate,CCCCOC(=O)CBr,CCCCOC(=O)CBr,"InChI=1/C6H11BrO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3",C6H11BrO2,,,,,,NMEGSGKCIWQRDB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.836,242-736-7,18997-57-4,7-(ß-D-glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,"InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3",C16H18O8,,,,,,YUDPTGPSBJVHCN-YMILTQATSA-N,,,,,,,,,,,
100.038.857,242-759-2,19024-62-5,Thorium dicarbonate,thorium(2+) dicarbonate,[Th+2].[O-]C(=O)OC(=O)[O-],[Th+2].[O-]C(=O)OC(=O)[O-],"InChI=1/C2H2O5.Th/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",CH2O3.1/2Th,,,,,,TTXYYEFFAOWSRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.038.865,242-768-1,19035-79-1,Potassium hexadecyl hydrogen phosphate,potassium hexadecyl hydrogen phosphate,[K+].[O-]P(O)(=O)OCCCCCCCCCCCCCCCC,[K+].[O-]P(O)(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-1",C16H35O4P.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10084,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.865,RMGVATURDVPNOZ-UHFFFAOYSA-M,,,,,,,,,,,
100.038.868,242-771-8,19037-75-3,"2,2',2''-nitrilotris(acetamide) monohydrochloride","2,2',2''-nitrilotriacetamide hydrochloride",Cl.NC(=O)CN(CC(=O)N)CC(=O)N,Cl.NC(=O)CN(CC(=O)N)CC(=O)N,"InChI=1/C6H12N4O3.ClH/c7-4(11)1-10(2-5(8)12)3-6(9)13;/h1-3H2,(H2,7,11)(H2,8,12)(H2,9,13);1H",C6H12N4O3.ClH,,,,,,RCVWOQCUHNZKAP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.466,239-029-0,14957-65-4,"4,4',6,6'-tetrabromo[1,1'-biphenyl]-2,2'-diol","4,4',6,6'-tetrabromobiphenyl-2,2'-diol",Oc1cc(Br)cc(Br)c1c2c(O)cc(Br)cc2Br,Oc1cc(Br)cc(Br)c1c2c(O)cc(Br)cc2Br,"InChI=1/C12H6Br4O2/c13-5-1-7(15)11(9(17)3-5)12-8(16)2-6(14)4-10(12)18/h1-4,17-18H",C12H6Br4O2,,,,,,ZNJKDCNQQCLEFG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.474,239-037-4,14965-49-2,Methylammonium iodide,methanaminium iodide,[I-].C[NH3+],[I-].C[NH3+],"InChI=1/CH5N.HI/c1-2;/h2H2,1H3;1H",CH5N.HI,,,,,,LLWRXQXPJMPHLR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.480,239-044-2,14970-87-7,"2,2'-[1,2-ethanediylbis(oxy)]bis(ethanethiol)","2,2'-[ethane-1,2-diylbis(oxy)]diethanethiol",SCCOCCOCCS,SCCOCCOCCS,"InChI=1/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2",C6H14O2S2,,,,,,HCZMHWVFVZAHCR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.483,239-047-9,14972-70-4,Trisodium hexachlororhodate,trisodium hexachlororhodate,[Na+].[Na+].[Na+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl,[Na+].[Na+].[Na+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/18ClH.3Na.3Rh/h18*1H;;;;;;/q;;;;;;;;;;;;;;;;;;3*+1;3*+6/p-18/r3Cl6Rh.3Na/c3*1-7(2,3,4,5)6;;;/q;;;3*+1",Cl6Rh.3Na,,,,,,OTXJHECJSSSWRG-UHFFFAOYSA-A,,,,,,,,,,,
100.035.493,239-058-9,14979-39-6,4-methylheptan-3-ol,4-methylheptan-3-ol,CCCC(C)C(O)CC,CCCC(C)C(O)CC,"InChI=1/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3",C8H18O,,,,,,BKQICAFAUMRYLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.781,234-972-4,12047-02-8,"Barium, compound with bismuth (1:3)",-,[Ba].[Bi].[Bi].[Bi],[Ba].[Bi].[Bi].[Bi],InChI=1/Ba.3Bi/q+2;3*+3,Ba.Bi,,,,,,GAGGSLSTZVRMIR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.788,234-980-8,12048-28-1,"Bismuth, compound with lead (1:1)",-,[Pb].[Bi],[Pb].[Bi],InChI=1/Bi.Pb.2H/q+3;+4;;/rBi.H2Pb/h;1H2/q+3;+4,Bi.Pb,,,,,,UDRRLPGVCZOTQW-UHFFFAOYSA-N,,,,,,,,,,,
100.031.789,234-981-3,12048-31-6,"Bismuth, compound with praseodymium (1:1)",-,[Pr].[Bi],[Pr].[Bi],InChI=1/Bi.Pr/q2*+3,Bi.Pr,,,,,,GXEWOMCEINAZJT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.790,234-982-9,12048-36-1,"Bismuth, compound with thallium (1:1)",-,[Tl].[Bi],[Tl].[Bi],InChI=1/Bi.Tl/q+3;+1,Bi.Tl,,,,,,JCLGSRAPELTTLY-UHFFFAOYSA-N,,,,,,,,,,,
100.031.791,234-983-4,12048-46-3,"Bismuth, compound with magnesium (2:3)",-,[MgH2].[MgH2].[MgH2].[Bi].[Bi],[MgH2].[MgH2].[MgH2].[Bi].[Bi],InChI=1/2Bi.3Mg.6H/q2*+3;3*+2;;;;;;/r2Bi.3H2Mg/h;;3*1H2/q2*+3;3*+2,Bi.Mg,,,,,,IYPUVLOQUJRMIW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.820,239-419-0,15403-44-8,"Diethyl 5,5'-methylenedianthranilate","diethyl 3,3'-methylenebis(6-aminobenzoate)",CCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCC)ccc1N,CCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCC)ccc1N,"InChI=1/C19H22N2O4/c1-3-24-18(22)14-10-12(5-7-16(14)20)9-13-6-8-17(21)15(11-13)19(23)25-4-2/h5-8,10-11H,3-4,9,20-21H2,1-2H3",C19H22N2O4,,,,,,HQNXNKDEVVRPSA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.830,239-430-0,15419-91-7,Dipropyl sebacate,dipropyl sebacate,CCCOC(=O)CCCCCCCCC(=O)OCCC,CCCOC(=O)CCCCCCCCC(=O)OCCC,"InChI=1/C16H30O4/c1-3-13-19-15(17)11-9-7-5-6-8-10-12-16(18)20-14-4-2/h3-14H2,1-2H3",C16H30O4,,,,,,UHGPEWTZABDZCE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.833,239-433-7,15421-37-1,10-[3-(dimethylammonio)propyl]-10H-phenothiazinium hydrogen phosphate,10-[3-(dimethylammonio)propyl]-10H-phenothiazin-10-ium hydrogen phosphate,C[NH+](C)CCC[NH+]1c2ccccc2Sc3ccccc13.[O-]P(=O)([O-])[O-],C[NH+](C)CCC[NH+]1c2ccccc2Sc3ccccc13.[O-]P(=O)([O-])[O-],"InChI=1/C17H20N2S.H3O4P/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;1-5(2,3)4/h3-6,8-11H,7,12-13H2,1-2H3;(H3,1,2,3,4)/p-1",C17H20N2S.H3O4P,,,,,,WACBFIAINLBXOM-UHFFFAOYSA-M,,,,,,,,,,,
100.035.834,239-434-2,15421-84-8,Trapidil,"N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",CCN(CC)c1cc(C)nc2ncnn12,CCN(CC)c1cc(C)nc2ncnn12,"InChI=1/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3",C10H15N5,,,,,,GSNOZLZNQMLSKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.836,239-436-3,15423-85-5,"9-fluoro-11ß,17-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-valerate","9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)C,CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)C,"InChI=1/C27H37FO5/c1-6-7-8-23(32)33-27(17(3)29)16(2)13-21-20-10-9-18-14-19(30)11-12-24(18,4)26(20,28)22(31)15-25(21,27)5/h11-12,14,16,20-22,31H,6-10,13,15H2,1-5H3",C27H37FO5,,,,,,TYNWNTXJZVLQLQ-VADKKIFPSA-N,,,,,,,,,,,
100.035.837,239-437-9,15429-36-4,"Diethyl 1,2-dimethylbicarbamate","diethyl 1,2-dimethylhydrazine-1,2-dicarboxylate",CCOC(=O)N(C)N(C)C(=O)OCC,CCOC(=O)N(C)N(C)C(=O)OCC,"InChI=1/C8H16N2O4/c1-5-13-7(11)9(3)10(4)8(12)14-6-2/h5-6H2,1-4H3",C8H16N2O4,,,,,,LMDVFFHOTJYTLU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.838,239-438-4,15429-42-2,Ethyl 3-(chloroformyl)carbazate,ethyl 2-(chlorocarbonyl)hydrazinecarboxylate,CCOC(=O)NNC(=O)Cl,CCOC(=O)NNC(=O)Cl,"InChI=1/C4H7ClN2O3/c1-2-10-4(9)7-6-3(5)8/h2H2,1H3,(H,6,8)(H,7,9)",C4H7ClN2O3,,,,,,OUYPEOIQRFGKLG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.844,239-445-2,15433-79-1,5-[(dimethylamino)methyl]furan-2-methanol,{5-[(dimethylamino)methyl]-2-furyl}methanol,CN(C)Cc1oc(CO)cc1,CN(C)Cc1oc(CO)cc1,"InChI=1/C8H13NO2/c1-9(2)5-7-3-4-8(6-10)11-7/h3-4,10H,5-6H2,1-2H3",C8H13NO2,,,,,,BQRQOLQFLNSWNV-UHFFFAOYSA-N,,,,,,,,,,,
100.032.773,236-066-4,13134-76-4,Methyl 3-hydroxybenzo[b]thiophene-3-carboxylate,"methyl 3-hydroxy-2,3-dihydro-1-benzothiophene-3-carboxylate",COC(=O)C1(O)CSc2ccccc12,COC(=O)C1(O)CSc2ccccc12,"InChI=1/C10H10O3S/c1-13-9(11)10(12)6-14-8-5-3-2-4-7(8)10/h2-5,12H,6H2,1H3",C10H8O3S,,,,,,BWSOJPVXCOQXBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.775,236-069-0,13138-48-2,"3,3'-dimethyl[1,1'-binaphthalene]-4,4'-diamine","3,3'-dimethyl-1,1'-binaphthalene-4,4'-diamine",Cc1cc(c2cc(C)c(N)c3ccccc23)c4ccccc4c1N,Cc1cc(c2cc(C)c(N)c3ccccc23)c4ccccc4c1N,"InChI=1/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3",C22H20N2,,,,,,FTEGMIZQLGXBNA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.776,236-070-6,13138-53-9,4-nitrophthaldiamide,4-nitrophthalamide,NC(=O)c1ccc(cc1C(=O)N)N(=O)=O,NC(=O)c1ccc(cc1C(=O)N)N(=O)=O,"InChI=1/C8H7N3O4/c9-7(12)5-2-1-4(11(14)15)3-6(5)8(10)13/h1-3H,(H2,9,12)(H2,10,13)",C8H7N3O4,,,,,,XWCDSCYRIROFIO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.778,236-072-7,13139-14-5,N-[(tert-butoxy)carbonyl]-L-tryptophan,N-(tert-butoxycarbonyl)-L-tryptophan,CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)",C16H20N2O4,,,,,,NFVNYBJCJGKVQK-ZDUSSCGKSA-N,,,,,,,,,,,
100.032.784,236-079-5,13142-74-0,(4-methyl-2-nitrophenyl)urea,1-(4-methyl-2-nitrophenyl)urea,Cc1ccc(NC(=O)N)c(c1)[N+](=O)[O-],Cc1ccc(NC(=O)N)c(c1)[N+](=O)[O-],"InChI=1/C8H9N3O3/c1-5-2-3-6(10-8(9)12)7(4-5)11(13)14/h2-4H,1H3,(H3,9,10,12)",C8H9N3O3,,,,,,SIJVYJRLCZOLCS-UHFFFAOYSA-N,,,,,,,,,,,
100.032.785,236-080-0,13144-88-2,"1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one","1-(2,4,4,5,5-pentamethylcyclopent-1-en-1-yl)ethanone",CC(=O)C1=C(C)CC(C)(C)C1(C)C,CC(=O)C1=C(C)CC(C)(C)C1(C)C,"InChI=1/C12H20O/c1-8-7-11(3,4)12(5,6)10(8)9(2)13/h7H2,1-6H3",C12H20O,,,,,,LLCMOZBDJDCWLT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.792,236-087-9,13149-68-3,"D-gluconic acid, 6-ester with N,N-diisopropylglycine","6-O-(N,N-diisopropylglycyl)hexonic acid",CC(C)N(CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O)C(C)C,CC(C)N(CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O)C(C)C,"InChI=1/C14H27NO8/c1-7(2)15(8(3)4)5-10(17)23-6-9(16)11(18)12(19)13(20)14(21)22/h7-9,11-13,16,18-20H,5-6H2,1-4H3,(H,21,22)",C14H27NO8,,,,,,CUEHNLMLFJFMER-UHFFFAOYSA-N,,,,,,,,,,,
100.036.771,240-465-9,16415-13-7,Triethoxyhexadecylsilane,triethoxy(hexadecyl)silane,CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC,CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1/C22H48O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23-6-2,24-7-3)25-8-4/h5-22H2,1-4H3",C22H48O3Si,,,,,,OYGYKEULCAINCL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.774,240-469-0,16421-04-8,"Sodium [3-[4-(benzoylamino)-2,5-dimethoxyphenyl]-1-methyl-2-triazenyl]acetate","sodium {3-[4-(benzoylamino)-2,5-dimethoxyphenyl]-1-methyltriaz-2-en-1-yl}acetate",[Na+].COc2cc(NC(=O)c1ccccc1)c(cc2N=NN(C)CC([O-])=O)OC,[Na+].COc2cc(NC(=O)c1ccccc1)c(cc2N=NN(C)CC([O-])=O)OC,"InChI=1/C18H20N4O5.Na/c1-22(11-17(23)24)21-20-14-10-15(26-2)13(9-16(14)27-3)19-18(25)12-7-5-4-6-8-12;/h4-10H,11H2,1-3H3,(H,19,25)(H,23,24);/q;+1/p-1",C18H20N4O5.Na,,,,,,ASTIPCIUNSIOGR-UHFFFAOYSA-M,,,,,,,,,,,
100.036.779,240-474-8,16423-68-0,"Disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanthen-9-yl)benzoate","disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate",[Na+].[Na+].[O-]C(=O)c1ccccc1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c([O-])c(I)cc24)I,[Na+].[Na+].[O-]C(=O)c1ccccc1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c([O-])c(I)cc24)I,"InChI=1/C20H8I4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",C20H8I4O5.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17363,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.779,IINNWAYUJNWZRM-UHFFFAOYSA-L,,,,,,,,,,,
100.036.782,240-477-4,16424-35-4,2-pentylidenecyclopentan-1-one,2-pentylidenecyclopentanone,O=C1CCCC1=CCCCC,O=C1CCCC1=CCCCC,"InChI=1/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h6H,2-5,7-8H2,1H3",C10H16O,,,,,,YZKUNNFZLUCEET-UHFFFAOYSA-N,,,,,,,,,,,
100.036.787,240-483-7,16429-21-3,7-hexyloxepan-2-one,7-hexyloxepan-2-one,CCCCCCC1CCCCC(=O)O1,CCCCCCC1CCCCC(=O)O1,"InChI=1/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3",C12H22O2,,,,,,FRTMRFCNTDDSOB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.792,240-488-4,16432-81-8,2-(4-benzoyl-3-hydroxyphenoxy)ethyl acrylate,2-(4-benzoyl-3-hydroxyphenoxy)ethyl acrylate,Oc1cc(OCCOC(=O)C=C)ccc1C(=O)c2ccccc2,Oc1cc(OCCOC(=O)C=C)ccc1C(=O)c2ccccc2,"InChI=1/C18H16O5/c1-2-17(20)23-11-10-22-14-8-9-15(16(19)12-14)18(21)13-6-4-3-5-7-13/h2-9,12,19H,1,10-11H2",C18H16O5,,,,,,NMMXJQKTXREVGN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.664,237-046-8,13597-44-9,Zinc sulphite,zinc sulfite,[Zn+2].[O-]S(=O)[O-],[Zn+2].[O-]S(=O)[O-],"InChI=1/H2O3S.Zn/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2",H2O3S.Zn,,,,,,HSYFJDYGOJKZCL-UHFFFAOYSA-L,,,,,,,,,,,
100.033.674,237-057-8,13597-65-4,Dizinc orthosilicate,dizinc orthosilicate,[Zn+2].[Zn+2].[O-][Si]([O-])([O-])[O-],[Zn+2].[Zn+2].[O-][Si]([O-])([O-])[O-],"InChI=1/O4Si.2Zn/c1-5(2,3)4;;/q-4;2*+2",H4O4Si.2Zn,,,,,,ZOIVSVWBENBHNT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.677,237-060-4,13597-92-7,"2,2,4,4,6,6-hexaamino-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine","1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinane-2,2,4,4,6,6-hexamine",NP1(N)NP(N)(N)NP(N)(N)N1,NP1(N)NP(N)(N)NP(N)(N)N1,"InChI=1/H18N9P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-12H,1-6H2",H12N9P3,,,,,,ILDVEVMQTQGXEB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.698,237-084-5,13601-94-0,"2,2,3-trichloropropionamide","2,2,3-trichloropropanamide",NC(=O)C(Cl)(Cl)CCl,NC(=O)C(Cl)(Cl)CCl,"InChI=1/C3H4Cl3NO/c4-1-3(5,6)2(7)8/h1H2,(H2,7,8)",C3H4Cl3NO,,,,,,NAXPJDCDIPVXNE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.700,237-086-6,13602-12-5,Pyridin-N-oxide-4-carboxylic acid,isonicotinic acid 1-oxide,OC(=O)c1ccn(=O)cc1,OC(=O)c1ccn(=O)cc1,"InChI=1/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)",C6H5NO3,,,,,,QCWTWMJMLSKQCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.707,237-093-4,13609-67-1,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate","11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl butyrate",CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3",C25H36O6,,,,,,BMCQMVFGOVHVNG-TUFAYURCSA-N,,,,,,,,,,,
100.033.713,237-100-0,13616-82-5,"2,4-dimethylbenzenethiol","2,4-dimethylbenzenethiol",Cc1ccc(S)c(C)c1,Cc1ccc(S)c(C)c1,"InChI=1/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3",C8H10S,,,,,,AMNLXDDJGGTIPL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.099,243-025-4,19396-83-9,Bicyclo[2.2.1]heptane-2-carbaldehyde,bicyclo[2.2.1]heptane-2-carbaldehyde,O=CC1CC2CCC1C2,O=CC1CC2CCC1C2,"InChI=1/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2",C8H12O,,,,,,UAQYREPFSVCDHT-UHFFFAOYSA-N,,,,,,,,,,,
100.039.112,243-040-6,19407-42-2,2-acetamido-6-chlorobenzoic acid,2-acetamido-6-chlorobenzoic acid,CC(=O)Nc1cccc(Cl)c1C(=O)O,CC(=O)Nc1cccc(Cl)c1C(=O)O,"InChI=1/C9H8ClNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)",C9H8ClNO3,,,,,,VFHSJTHAMJFUCK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.113,243-041-1,19408-48-1,N-(N-L-leucylglycyl)-L-leucine,L-leucylglycyl-L-leucine,CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O,CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O,"InChI=1/C14H27N3O4/c1-8(2)5-10(15)13(19)16-7-12(18)17-11(14(20)21)6-9(3)4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)",C14H27N3O4,,,,,,HYIFFZAQXPUEAU-QWRGUYRKSA-N,,,,,,,,,,,
100.055.231,260-774-2,57508-53-9,a-ethoxy-m-nitrobenzylideneammonium chloride,ethoxy(3-nitrophenyl)methaniminium chloride,[Cl-].CCOC(=[NH2+])c1cccc(c1)[N+](=O)[O-],[Cl-].CCOC(=[NH2+])c1cccc(c1)[N+](=O)[O-],"InChI=1/C9H10N2O3.ClH/c1-2-14-9(10)7-4-3-5-8(6-7)11(12)13;/h3-6,10H,2H2,1H3;1H",C9H10N2O3.ClH,,,,,,XCIXZMQBWUENJE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.236,260-780-5,57518-82-8,Calcium N-(1-oxododecyl)-L-glutamate (1:2),calcium N-(1-oxododecyl)-L-glutamate (1:2),[CaH2].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[CaH2].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/2C17H31NO5.Ca.2H/c2*1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;;;/h2*14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);;;/q;;+2;;/p-4/r2C17H31NO5.CaH2/c2*1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;/h2*14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);1H2/q;;+2/p-4",C17H31NO5.1/2Ca,,,,,,IPZDAVHHMOXODX-ZNBBBZQISA-J,,,,,,,,,,,
100.055.237,260-781-0,57518-95-3,"2,3,7,8-tetrabromo-1-ethoxyoctane","2,3,7,8-tetrabromo-1-ethoxyoctane",CCOCC(Br)C(Br)CCCC(Br)CBr,CCOCC(Br)C(Br)CCCC(Br)CBr,"InChI=1/C10H18Br4O/c1-2-15-7-10(14)9(13)5-3-4-8(12)6-11/h8-10H,2-7H2,1H3",C10H18Br4O,,,,,,IRXPGRUNULOOSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.243,260-787-3,57526-28-0,(RS)-2-methylbutyryl chloride,2-methylbutanoyl chloride,CCC(C)C(=O)Cl,CCC(C)C(=O)Cl,"InChI=1/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3",C5H9ClO,,,,,,XRPVXVRWIDOORM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.878,262-586-6,61085-41-4,1-benzyl-4-[(4-fluorophenyl)amino]piperidine-4-carboxamide,1-benzyl-4-[(4-fluorophenyl)amino]piperidine-4-carboxamide,NC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccc(F)cc3,NC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccc(F)cc3,"InChI=1/C19H22FN3O/c20-16-6-8-17(9-7-16)22-19(18(21)24)10-12-23(13-11-19)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H2,21,24)",C19H22FN3O,,,,,,DICTXEPQAOBPNR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.879,262-587-1,61085-44-7,Methyl cis-4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate,methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate,COC(=O)N1CC[C@@](Nc2ccccc2)([C@@H](C)C1)C(=O)N,COC(=O)N1CC[C@@](Nc2ccccc2)([C@@H](C)C1)C(=O)N,"InChI=1/C15H21N3O3/c1-11-10-18(14(20)21-2)9-8-15(11,13(16)19)17-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,16,19)",C15H21N3O3,,,,,,OUODHLPMXVJDFG-XHDPSFHLSA-N,,,,,,,,,,,
100.056.885,262-593-4,61085-96-9,Methyl cis-4-anilino-3-methyl-1-phenethylpiperidine-4-carboxylate,methyl 4-anilino-3-methyl-1-(2-phenylethyl)piperidine-4-carboxylate,COC(=O)[C@]1(CCN(CCc2ccccc2)C[C@@H]1C)Nc3ccccc3,COC(=O)[C@]1(CCN(CCc2ccccc2)C[C@@H]1C)Nc3ccccc3,"InChI=1/C22H28N2O2/c1-18-17-24(15-13-19-9-5-3-6-10-19)16-14-22(18,21(25)26-2)23-20-11-7-4-8-12-20/h3-12,18,23H,13-17H2,1-2H3",C22H28N2O2,,,,,,ULCFSXQHBSJRKV-PGRDOPGGSA-N,,,,,,,,,,,
100.058.791,264-689-1,64131-21-1,"2,2-bis(hydroxymethyl)butyl myristate","2,2-bis(hydroxymethyl)butyl myristate",CCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C20H40O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19(23)24-18-20(4-2,16-21)17-22/h21-22H,3-18H2,1-2H3",C20H40O4,,,,,,RGLSVLMKJGBTHW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.794,264-692-8,64131-25-5,1-methyl 2-sulphododecanoate,1-methoxy-1-oxododecane-2-sulfonic acid,CCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,CCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C13H26O5S/c1-3-4-5-6-7-8-9-10-11-12(13(14)18-2)19(15,16)17/h12H,3-11H2,1-2H3,(H,15,16,17)",C13H26O5S,,,,,,SUGCWLAORFBCKS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.798,264-697-5,64131-85-7,"O,O,O-tris(4-nitrophenyl) thiophosphate","O,O,O-tris(4-nitrophenyl) thiophosphate",[O-][N+](=O)c1ccc(OP(=S)(Oc2ccc(cc2)[N+](=O)[O-])Oc3ccc(cc3)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(OP(=S)(Oc2ccc(cc2)[N+](=O)[O-])Oc3ccc(cc3)[N+](=O)[O-])cc1,"InChI=1/C18H12N3O9PS/c22-19(23)13-1-7-16(8-2-13)28-31(32,29-17-9-3-14(4-10-17)20(24)25)30-18-11-5-15(6-12-18)21(26)27/h1-12H",C18H12N3O9PS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10935,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.798,DMRUHNJUTAJPSU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.803,264-703-6,64139-21-5,Diethyl 4-hydroxyphthalate,diethyl 4-hydroxyphthalate,CCOC(=O)c1ccc(O)cc1C(=O)OCC,CCOC(=O)c1ccc(O)cc1C(=O)OCC,"InChI=1/C12H14O5/c1-3-16-11(14)9-6-5-8(13)7-10(9)12(15)17-4-2/h5-7,13H,3-4H2,1-2H3",C12H14O5,,,,,,XESMXDXQZBMELS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.419,267-581-2,67892-48-2,4-ethyl-3-nitrobenzenesulphonic acid,4-ethyl-3-nitrobenzenesulfonic acid,CCc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O,CCc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C8H9NO5S/c1-2-6-3-4-7(15(12,13)14)5-8(6)9(10)11/h3-5H,2H2,1H3,(H,12,13,14)",C8H9NO5S,,,,,,VMAGMDKWMAYFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.432,267-595-9,67892-67-5,"1,3-dimethyl-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate","1,3-dimethyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium 4-methylbenzenesulfonate",CN1C[NH+](C)c2nc3ccccc3nc12.Cc4ccc(cc4)S(=O)(=O)[O-],CN1C[NH+](C)c2nc3ccccc3nc12.Cc4ccc(cc4)S(=O)(=O)[O-],"InChI=1/C11H12N4.C7H8O3S/c1-14-7-15(2)11-10(14)12-8-5-3-4-6-9(8)13-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7H2,1-2H3;2-5H,1H3,(H,8,9,10)",C11H11N4.C7H7O3S,,,,,,SDVOYVROPZNEJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.433,267-596-4,67892-95-9,Methyl N-(2-cyanoethyl)-N-phenyl-ß-alaninate,methyl N-(2-cyanoethyl)-N-phenyl-beta-alaninate,COC(=O)CCN(CCC#N)c1ccccc1,COC(=O)CCN(CCC#N)c1ccccc1,"InChI=1/C13H16N2O2/c1-17-13(16)8-11-15(10-5-9-14)12-6-3-2-4-7-12/h2-4,6-7H,5,8,10-11H2,1H3",C13H16N2O2,,,,,,CWCYJRVQCBCDTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.798,234-991-8,12051-87-5,Diammonium hexachlororhenate,diammonium hexachlororhenate(2-),[NH4+].[NH4+].Cl[Re-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Re-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2H3N.Re/h6*1H;2*1H3;/q;;;;;;;;+6/p-4/rCl6Re.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/p+2",Cl6Re.2H4N,,,,,,XJBVMCSHXBGWCE-UHFFFAOYSA-J,,,,,,,,,,,
100.031.803,234-997-0,12052-78-7,"Cobalt, compound with samarium (17:2)",cobalt - samarium (17:2),[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Sm].[Sm],[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Sm].[Sm],InChI=1/17Co.2Sm/q19*+2,Co.Sm,,,,,,WLRLPLQBRMHZMR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.093,235-315-4,12164-94-2,Ammonium azide,ammonium azide,[NH4+].[N-]=[N+]=[N-],[NH4+].[N-]=[N+]=[N-],InChI=1/N3.H3N/c1-3-2;/h;1H3/q-1;/p+1,H4N4,,,,,,UAZDIGCOBKKMPU-UHFFFAOYSA-O,,,,,,,,,,,
100.032.105,235-329-0,12167-45-2,"Disodium 5-(acetylamino)-3-[(dimethylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 5-acetamido-3-[(2,3-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc2cc(cc3cc(c(N=Nc1cccc(C)c1C)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc2cc(cc3cc(c(N=Nc1cccc(C)c1C)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C20H19N3O8S2.2Na/c1-10-5-4-6-15(11(10)2)22-23-19-17(33(29,30)31)8-13-7-14(32(26,27)28)9-16(21-12(3)24)18(13)20(19)25;;/h4-9,25H,1-3H3,(H,21,24)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C20H19N3O8S2.2Na,,,,,,JWHXSGCFOVKBKJ-UHFFFAOYSA-L,,,,,,,,,,,
100.032.109,235-333-2,12168-31-9,Pentastrontium fluoride triphosphate,pentastrontium fluoride triphosphate,[F-].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[F-].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[Sr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/FH.3H3O4P.5Sr/c;3*1-5(2,3)4;;;;;/h1H;3*(H3,1,2,3,4);;;;;/q;;;;5*+2/p-10",FO12P3Sr5,,,,,,JDERQCCVGNRMMO-UHFFFAOYSA-D,,,,,,,,,,,
100.039.001,242-918-6,19249-34-4,"2,2'-(phenylimino)bisethyl diacetate","(phenylimino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(=O)C)c1ccccc1,CC(=O)OCCN(CCOC(=O)C)c1ccccc1,"InChI=1/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3",C14H19NO4,,,,,,XQGHEXBVXWBMGC-UHFFFAOYSA-N,,,,,,,,,,,
100.039.002,242-919-1,19250-09-0,"(3,4-dichlorophenyl)thiourea","1-(3,4-dichlorophenyl)thiourea",NC(=S)Nc1ccc(Cl)c(Cl)c1,NC(=S)Nc1ccc(Cl)c(Cl)c1,"InChI=1/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)",C7H6Cl2N2S,,,,,,CCNCITSJXCSXJY-UHFFFAOYSA-N,,,,,,,,,,,
100.039.011,242-929-6,19274-72-7,"1,8-dibenzoylnaphthalene","naphthalene-1,8-diylbis(phenylmethanone)",O=C(c1ccccc1)c2cccc3cccc(C(=O)c4ccccc4)c23,O=C(c1ccccc1)c2cccc3cccc(C(=O)c4ccccc4)c23,InChI=1/C24H16O2/c25-23(18-9-3-1-4-10-18)20-15-7-13-17-14-8-16-21(22(17)20)24(26)19-11-5-2-6-12-19/h1-16H,C24H16O2,,,,,,QPKUOOVISUGIRK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.015,242-933-8,19281-32-4,a-methyl-N-(o-tolyl)pyrrolidine-1-acetamide monohydrochloride,N-(2-methylphenyl)-2-pyrrolidin-1-ylpropanamide hydrochloride,Cl.CC(N1CCCC1)C(=O)Nc2ccccc2C,Cl.CC(N1CCCC1)C(=O)Nc2ccccc2C,"InChI=1/C14H20N2O.ClH/c1-11-7-3-4-8-13(11)15-14(17)12(2)16-9-5-6-10-16;/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17);1H",C14H20N2O.ClH,,,,,,JUSHHIAJHXVGRP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.017,242-935-9,19283-51-3,"2,3,4,9-tetrahydro-8-methyl-1H-carbazole","8-methyl-2,3,4,9-tetrahydro-1H-carbazole",Cc1cccc2c3CCCCc3[nH]c12,Cc1cccc2c3CCCCc3[nH]c12,"InChI=1/C13H15N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h4-5,7,14H,2-3,6,8H2,1H3",C13H15N,,,,,,YSOBXTJUYFKXDF-UHFFFAOYSA-N,,,,,,,,,,,
100.039.023,242-942-7,19288-66-5,1-cyclohexyl-3-[(3-nitro-p-tolyl)sulphonyl]urea,N-(cyclohexylcarbamoyl)-4-methyl-3-nitrobenzenesulfonamide,Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)NC2CCCCC2,Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)NC2CCCCC2,"InChI=1/C14H19N3O5S/c1-10-7-8-12(9-13(10)17(19)20)23(21,22)16-14(18)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,15,16,18)",C14H19N3O5S,,,,,,TUVKYMVGCJODMA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.033,242-953-7,19309-23-0,Ethyl ethyldimethyltetradecylammonium sulphate,"N-ethyl-N,N-dimethyltetradecan-1-aminium ethyl sulfate",CCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1/C18H40N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)6-2;1-2-6-7(3,4)5/h5-18H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C18H40N.C2H5O4S,,,,,,LKHWQEOUPGUICK-UHFFFAOYSA-M,,,,,,,,,,,
100.039.045,242-966-8,19329-89-6,Isopentyl lactate,3-methylbutyl 2-hydroxypropanoate,CC(C)CCOC(=O)C(C)O,CC(C)CCOC(=O)C(C)O,"InChI=1/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3",C8H16O3,,,,,,CRORGGSWAKIXSA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.881,241-686-3,17692-51-2,Metergoline,"benzyl [(1,6-dimethylergolin-8-yl)methyl]carbamate",CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45,CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45,"InChI=1/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)",C25H29N3O2,,,,,,WZHJKEUHNJHDLS-QTGUNEKASA-N,,,,,,,,,,,
100.032.794,236-090-5,13149-79-6,2-(hydroxymethoxy)ethanol,2-(hydroxymethoxy)ethanol,OCCOCO,OCCOCO,"InChI=1/C3H8O3/c4-1-2-6-3-5/h4-5H,1-3H2",C3H8O3,,,,,,ONSWVOSXVUHESJ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.796,236-092-6,13150-40-8,"a,a-dimethylpiperidine-1-ethanol",2-methyl-1-piperidin-1-ylpropan-2-ol,CC(C)(O)CN1CCCCC1,CC(C)(O)CN1CCCCC1,"InChI=1/C9H19NO/c1-9(2,11)8-10-6-4-3-5-7-10/h11H,3-8H2,1-2H3",C9H19NO,,,,,,SSBJNXYJAHFKJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.797,236-093-1,13152-89-1,"1,2,3,4-tetrahydrophthalazine","1,2,3,4-tetrahydrophthalazine",C1NNCc2ccccc12,C1NNCc2ccccc12,"InChI=1/C8H10N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-4,9-10H,5-6H2",C8H10N2,,,,,,STIWEDICJHIFJT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.803,236-099-4,13161-28-9,"9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate","9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium perchlorate",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.[O-]Cl(=O)(=O)=O,CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.[O-]Cl(=O)(=O)=O,"InChI=1/C28H31N2O3.ClHO4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29-30H,6-8H2,1-5H3;(H,2,3,4,5)/q+1;/p-1",C28H31N2O3.ClO4,,,,,,WUONMKNUJIXUFL-UHFFFAOYSA-M,,,,,,,,,,,
100.032.808,236-105-5,13162-43-1,"4,6-dichloro-2-methyl-5-nitropyrimidine","4,6-dichloro-2-methyl-5-nitropyrimidine",Cc1nc(Cl)c(c(Cl)n1)[N+](=O)[O-],Cc1nc(Cl)c(c(Cl)n1)[N+](=O)[O-],InChI=1/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3,C5H3Cl2N3O2,,,,,,OPXGPTXSLFZVCA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.809,236-106-0,13164-93-7,"Disodium 5-[[4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-4-yl]azo]salicylate","disodium 2-hydroxy-5-[(4'-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-4-yl)diazenyl]benzoate",[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3ccc(cc3)N=NC5C(\\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O,[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3ccc(cc3)N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O,"InChI=1/C29H22N6O7S.2Na/c1-17-27(28(37)35(34-17)23-11-13-24(14-12-23)43(40,41)42)33-31-21-8-4-19(5-9-21)18-2-6-20(7-3-18)30-32-22-10-15-26(36)25(16-22)29(38)39;;/h2-16,27,36H,1H3,(H,38,39)(H,40,41,42);;/q;2*+1/p-2",C29H22N6O7S.2Na,,,,,,KMXAIEOTYSTQLN-UHFFFAOYSA-L,,,,,,,,,,,
100.032.810,236-107-6,13165-78-1,o-methoxybenzenesulphinic acid,2-methoxybenzenesulfinic acid,COc1ccccc1S(=O)O,COc1ccccc1S(=O)O,"InChI=1/C7H8O3S/c1-10-6-4-2-3-5-7(6)11(8)9/h2-5H,1H3,(H,8,9)",C7H8O3S,,,,,,FLEOBKHAPXSNGY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.813,236-110-2,13170-18-8,Diacetoxydiethoxysilane,diacetyl diethyl orthosilicate,CCO[Si](OCC)(OC(=O)C)OC(=O)C,CCO[Si](OCC)(OC(=O)C)OC(=O)C,"InChI=1/C8H16O6Si/c1-5-11-15(12-6-2,13-7(3)9)14-8(4)10/h5-6H2,1-4H3",C8H16O6Si,,,,,,ZQSAMWXOYNJGII-UHFFFAOYSA-N,,,,,,,,,,,
100.036.179,239-813-2,15718-51-1,"Cytidine, cyclic 2',3'-(hydrogen phosphate), monosodium salt","sodium 4-(hydroxymethyl)-6-(4-imino-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-olate 2-oxide",OCC1OC(C2OP(=O)(O[Na])OC12)N3C=CC(=N)NC3=O,OCC1OC(C2OP(=O)(O[Na])OC12)N3C=CC(=N)NC3=O,"InChI=1/C9H12N3O7P.Na/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7;/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14);/q;+1/p-1/rC9H11N3NaO7P/c10-5-1-2-12(9(15)11-5)8-7-6(4(3-14)17-8)18-21(16,19-7)20-13/h1-2,4,6-8,14H,3H2,(H2,10,11,15)",C9H12N3O7P.Na,,,,,,SQOIXCJUYWSZDW-UHFFFAOYSA-M,,,,,,,,,,,
100.036.186,239-821-6,15727-77-2,Allyl isobutyrate,allyl 2-methylpropanoate,CC(C)C(=O)OCC=C,CC(C)C(=O)OCC=C,"InChI=1/C7H12O2/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3",C7H12O2,,,,,,QNBDJTKBKITRJI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.188,239-823-7,15729-76-7,"2,5-diethylthiazole","2,5-diethyl-1,3-thiazole",CCc1cnc(CC)s1,CCc1cnc(CC)s1,"InChI=1/C7H11NS/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3",C7H11NS,,,,,,PATFUZGQWONVOC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.190,239-825-8,15733-22-9,Sodium p-chloro-m-cresolate,sodium 4-chloro-3-methylphenolate,[Na+].Cc1cc([O-])ccc1Cl,[Na+].Cc1cc([O-])ccc1Cl,"InChI=1/C7H7ClO.Na/c1-5-4-6(9)2-3-7(5)8;/h2-4,9H,1H3;/q;+1/p-1",C7H7ClO.Na,,,,,,DPHAGKRZIJHMNL-UHFFFAOYSA-M,,,,,,,,,,,
100.036.191,239-826-3,15733-85-4,8-nitroquinoline-2-carboxylic acid,8-nitroquinoline-2-carboxylic acid,OC(=O)c1ccc2cccc(c2n1)[N+](=O)[O-],OC(=O)c1ccc2cccc(c2n1)[N+](=O)[O-],"InChI=1/C10H6N2O4/c13-10(14)7-5-4-6-2-1-3-8(12(15)16)9(6)11-7/h1-5H,(H,13,14)",C10H6N2O4,,,,,,YKNRUBPOGQLIKS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.207,239-844-1,15757-54-7,"2,2-dimethyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene","2,2-dimethyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene",CC1(C)N=C(C2C(N12)c3ccc(cc3)[N+](=O)[O-])c4ccccc4,CC1(C)N=C(C2C(N12)c3ccc(cc3)[N+](=O)[O-])c4ccccc4,"InChI=1/C18H17N3O2/c1-18(2)19-15(12-6-4-3-5-7-12)17-16(20(17)18)13-8-10-14(11-9-13)21(22)23/h3-11,16-17H,1-2H3",C18H17N3O2,,,,,,ZURRJBURTJNBNL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.220,239-858-8,15767-75-6,DL-glutamic acid hydrochloride,glutamic acid hydrochloride,Cl.NC(CCC(=O)O)C(=O)O,Cl.NC(CCC(=O)O)C(=O)O,"InChI=1/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H",C5H9NO4.ClH,,,,,,RPAJSBKBKSSMLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.115,243-043-2,19419-96-6,"1,1-bis(ethylthio)-2-nitroethylene","1,1-bis(ethylsulfanyl)-2-nitroethene",CCSC(=C[N+](=O)[O-])SCC,CCSC(=C[N+](=O)[O-])SCC,"InChI=1/C6H11NO2S2/c1-3-10-6(11-4-2)5-7(8)9/h5H,3-4H2,1-2H3",C6H11NO2S2,,,,,,WQFYZWXFKNXUQD-UHFFFAOYSA-N,,,,,,,,,,,
100.039.119,243-047-4,19427-28-2,N-formyl-L-aspartic acid,N-formyl-L-aspartic acid,OC(=O)C[C@H](NC=O)C(=O)O,OC(=O)C[C@H](NC=O)C(=O)O,"InChI=1/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)",C5H7NO5,,,,,,MQUUQXIFCBBFDP-VKHMYHEASA-N,,,,,,,,,,,
100.030.750,233-838-2,10379-72-3,"(3ß,20a)-3-hydroxy-11-oxoolean-12-en-29-oic acid",3-hydroxy-11-oxoolean-12-en-29-oic acid,CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O,CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O,"InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)",C30H46O4,,,,,,MPDGHEJMBKOTSU-IDZWEYSVSA-N,,,,,,,,,,,
100.030.756,233-845-0,10381-37-0,Thorium disulphate,thorium disulphate,[Th+2].[Th+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Th+2].[Th+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2H2O4S.2Th/c2*1-5(2,3)4;;/h2*(H2,1,2,3,4);;/q;;2*+2/p-4",H2O4S.1/2Th,,,,,,QQWHDGSPGDUBMS-UHFFFAOYSA-J,,,,,,,,,,,
100.030.762,233-851-3,10389-51-2,4-(4-nitrophenyl)morpholine,4-(4-nitrophenyl)morpholine,[O-][N+](=O)c1ccc(cc1)N2CCOCC2,[O-][N+](=O)c1ccc(cc1)N2CCOCC2,"InChI=1/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2",C10H12N2O3,,,,,,IAJDSUYFELYZCS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.765,233-855-5,10391-47-6,"(4a)-2ß,15a-dihydroxy-19-norkaur-16-en-18-oic acid","2,7-dihydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid",OC(=O)[C@@H]1C[C@@H](O)C[C@]2(C)[C@H]4CC[C@H]3C[C@]4(CC[C@@H]12)[C@@H](O)C3=C,OC(=O)[C@@H]1C[C@@H](O)C[C@]2(C)[C@H]4CC[C@H]3C[C@]4(CC[C@@H]12)[C@@H](O)C3=C,"InChI=1/C19H28O4/c1-10-11-3-4-15-18(2)9-12(20)7-13(17(22)23)14(18)5-6-19(15,8-11)16(10)21/h11-16,20-21H,1,3-9H2,2H3,(H,22,23)",C19H28O4,,,,,,YRHWUYVCCPXYMB-UUUOSGNESA-N,,,,,,,,,,,
100.059.079,265-007-5,64677-46-9,"Undeca-1,5-dien-4-ol","undeca-1,5-dien-4-ol",CCCCCC=CC(O)CC=C,CCCCCC=CC(O)CC=C,"InChI=1/C11H20O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,8,10-12H,2-3,5-7,9H2,1H3",C11H20O,,,,,,XPHXCGYGEZUXRT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.081,265-009-6,64680-90-6,"Octahydro-4,7-methano-1H-indene-1-methanol","octahydro-1H-4,7-methanoinden-1-ylmethanol",OCC1CCC2C3CCC(C3)C12,OCC1CCC2C3CCC(C3)C12,"InChI=1/C11H18O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h7-12H,1-6H2",C11H18O,,,,,,YAQCYZLLBMLGOB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.090,265-019-0,64690-19-3,N-octylpyridin-4-amine,N-octylpyridin-4-amine,CCCCCCCCNc1ccncc1,CCCCCCCCNc1ccncc1,"InChI=1/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)",C13H22N2,,,,,,RHDWCSIBVZKRRU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.091,265-020-6,64690-21-7,"1,1'-(decane-1,10-diyl)bis[4-(octylamino)pyridinium] dichloride","1,1'-decane-1,10-diylbis[4-(octylamino)pyridinium] dichloride",[Cl-].[Cl-].CCCCCCCCNc1cc[n+](CCCCCCCCCC[n+]2ccc(NCCCCCCCC)cc2)cc1,[Cl-].[Cl-].CCCCCCCCNc1cc[n+](CCCCCCCCCC[n+]2ccc(NCCCCCCCC)cc2)cc1,"InChI=1/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H",C36H64N4.2Cl,,,,,,SMGTYJPMKXNQFY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.094,265-023-2,64697-38-7,"1,3,3-trichlorobutan-2-one","1,3,3-trichlorobutan-2-one",CC(Cl)(Cl)C(=O)CCl,CC(Cl)(Cl)C(=O)CCl,"InChI=1/C4H5Cl3O/c1-4(6,7)3(8)2-5/h2H2,1H3",C4H5Cl3O,,,,,,QEDMPSNPCVGZLV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.096,265-025-3,64704-23-0,Disodium L-cystinate,"disodium 3,3'-disulfanediylbis(2-aminopropanoate)",[Na+].[Na+].N[C@@H](CSSC[C@H](N)C(=O)[O-])C(=O)[O-],[Na+].[Na+].N[C@@H](CSSC[C@H](N)C(=O)[O-])C(=O)[O-],"InChI=1/C6H12N2O4S2.2Na/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;/q;2*+1/p-2",C6H12N2O4S2.2Na,,,,,,PLVPMKWGXOOSKL-RGVONZFCSA-L,,,,,,,,,,,
100.059.099,265-029-5,64709-57-5,N-chloroacetyl-L-tryptophan,N-(chloroacetyl)tryptophan,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl,"InChI=1/C13H13ClN2O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)",C13H13ClN2O3,,,,,,PGTJUXHMJYBSBW-NSHDSACASA-N,,,,,,,,,,,
100.059.100,265-030-0,64715-97-5,Bis(2-hydroxyethyl)ammonium palmitate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].OCC[NH2+]CCO,CCCCCCCCCCCCCCCC(=O)[O-].OCC[NH2+]CCO,"InChI=1/C16H32O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;6-3-1-5-2-4-7/h2-15H2,1H3,(H,17,18);5-7H,1-4H2",C16H32O2.C4H11NO2,,,,,,QGLKEWRJAKVENM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.101,265-031-6,64716-00-3,Potassium hexadecylbenzenesulphonate,potassium 2-hexadecylbenzenesulfonate,[K+].CCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[K+].CCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C22H38O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)26(23,24)25;/h16-17,19-20H,2-15,18H2,1H3,(H,23,24,25);/q;+1/p-1",C22H38O3S.K,,,,,,SVMNBAVEQLDZNO-UHFFFAOYSA-M,,,,,,,,,,,
100.061.434,267-598-5,67892-96-0,"Sodium 2-[[4-[[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]amino]-6-methoxy-1,3,5-triazin-2-yl]methylamino]ethanesulphonate","sodium 2-{[4-({4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl}amino)-6-methoxy-1,3,5-triazin-2-yl](methyl)amino}ethanesulfonate",[Na+].COc3nc(Nc2ccc(N=Nc1cc(C)ccc1O)cc2)nc(n3)N(C)CCS([O-])(=O)=O,[Na+].COc3nc(Nc2ccc(N=Nc1cc(C)ccc1O)cc2)nc(n3)N(C)CCS([O-])(=O)=O,"InChI=1/C20H23N7O5S.Na/c1-13-4-9-17(28)16(12-13)26-25-15-7-5-14(6-8-15)21-18-22-19(24-20(23-18)32-3)27(2)10-11-33(29,30)31;/h4-9,12,28H,10-11H2,1-3H3,(H,29,30,31)(H,21,22,23,24);/q;+1/p-1",C20H23N7O5S.Na,,,,,,RVKPGMXFJPHWGF-UHFFFAOYSA-M,,,,,,,,,,,
100.061.439,267-604-6,67893-01-0,Zirconium(4+) methacrylate,zirconium(4+) tetrakis(2-methylacrylate),[Zr+4].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Zr+4].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/4C4H6O2.Zr/c4*1-3(2)4(5)6;/h4*1H2,2H3,(H,5,6);/q;;;;+4/p-4",C4H6O2.1/4Zr,,,,,,TUPMGGHTDIFOMI-UHFFFAOYSA-J,,,,,,,,,,,
100.061.440,267-605-1,67893-02-1,"Methyl 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate",methyl abiet-7-en-18-oate,COC(=O)C1(C)CCCC2(C)C3CCC(CC3=CCC12)C(C)C,COC(=O)C1(C)CCCC2(C)C3CCC(CC3=CCC12)C(C)C,"InChI=1/C21H34O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,14-15,17-18H,6-7,9-13H2,1-5H3",C21H34O2,,,,,,YUBSLXLMZVQYAG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.442,267-607-2,67893-04-3,1-methyl-4-(1-methylethylidene)cyclohexyl formate,4-isopropylidene-1-methylcyclohexyl formate,CC(=C1CCC(C)(CC1)OC=O)C,CC(=C1CCC(C)(CC1)OC=O)C,"InChI=1/C11H18O2/c1-9(2)10-4-6-11(3,7-5-10)13-8-12/h8H,4-7H2,1-3H3",C11H18O2,,,,,,GGXHOOFNOCFIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.445,267-610-9,67893-07-6,"2-(2,4-dimethyl-3-cyclohexen-1-yl)-1,3-dioxolane","2-(2,4-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane",CC1C=C(C)CCC1C2OCCO2,CC1C=C(C)CCC1C2OCCO2,"InChI=1/C11H18O2/c1-8-3-4-10(9(2)7-8)11-12-5-6-13-11/h7,9-11H,3-6H2,1-2H3",C11H18O2,,,,,,GAARSHDEYZGKOY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.453,267-619-8,67893-45-2,6-amino-3-[(4-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-3-[(4-aminophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid,OS(=O)(=O)c3cc1ccc(N)cc1c(O)c3N=Nc2ccc(N)cc2,OS(=O)(=O)c3cc1ccc(N)cc1c(O)c3N=Nc2ccc(N)cc2,"InChI=1/C16H14N4O4S/c17-10-3-5-12(6-4-10)19-20-15-14(25(22,23)24)7-9-1-2-11(18)8-13(9)16(15)21/h1-8,21H,17-18H2,(H,22,23,24)",C16H14N4O4S,,,,,,ZCVNCZPTVCNNOD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.456,267-622-4,67893-48-5,"Disodium 5-[[4'-[(2,4-diamino-5-sulphonatophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-({4'-[(2,4-diamino-5-sulfonatophenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c4ccc(N=Nc3cc(c(N)cc3N)S([O-])(=O)=O)c(C)c4,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c4ccc(N=Nc3cc(c(N)cc3N)S([O-])(=O)=O)c(C)c4,"InChI=1/C27H24N6O6S.2Na/c1-14-9-16(3-6-22(14)31-30-18-5-8-25(34)19(11-18)27(35)36)17-4-7-23(15(2)10-17)32-33-24-13-26(40(37,38)39)21(29)12-20(24)28;;/h3-13,34H,28-29H2,1-2H3,(H,35,36)(H,37,38,39);;/q;2*+1/p-2",C27H24N6O6S.2Na,,,,,,QPZWGYNLLYWYRP-UHFFFAOYSA-L,,,,,,,,,,,
100.061.457,267-624-5,67893-49-6,"Disodium 7-[(4-aminophenyl)azo]naphthalene-1,3-disulphonate","disodium 7-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(N)cc1)cc23)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(N)cc1)cc23)S([O-])(=O)=O,"InChI=1/C16H13N3O6S2.2Na/c17-11-2-5-12(6-3-11)18-19-13-4-1-10-7-14(26(20,21)22)9-16(15(10)8-13)27(23,24)25;;/h1-9H,17H2,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H13N3O6S2.2Na,,,,,,GUUOUNHZVBVBSE-UHFFFAOYSA-L,,,,,,,,,,,
100.056.887,262-596-0,61086-12-2,N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide,N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide,CCC(=O)N(c1ccccc1)C2(COC)CCN(Cc3ccccc3)CC2,CCC(=O)N(c1ccccc1)C2(COC)CCN(Cc3ccccc3)CC2,"InChI=1/C23H30N2O2/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3",C23H30N2O2,,,,,,RIGNIZMZYKGGHY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.892,262-601-6,61090-89-9,"3,9-bis[3-bromo-2,2-bis(bromomethyl)propoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide","3,9-bis[3-bromo-2,2-bis(bromomethyl)propoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide",BrCC(CBr)(CBr)COP1(=O)OCC2(COP(=O)(OCC(CBr)(CBr)CBr)OC2)CO1,BrCC(CBr)(CBr)COP1(=O)OCC2(COP(=O)(OCC(CBr)(CBr)CBr)OC2)CO1,"InChI=1/C15H24Br6O8P2/c16-1-13(2-17,3-18)7-24-30(22)26-9-15(10-27-30)11-28-31(23,29-12-15)25-8-14(4-19,5-20)6-21/h1-12H2",C15H24Br6O8P2,,,,,,UASQAKNFTHVEDR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.909,262-619-4,61131-60-0,m-(2-nitro-1-propenyl)phenol,3-(2-nitroprop-1-en-1-yl)phenol,Oc1cc(C=C(C)[N+]([O-])=O)ccc1,Oc1cc(C=C(C)[N+]([O-])=O)ccc1,"InChI=1/C9H9NO3/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-6,11H,1H3",C9H9NO3,,,,,,PSRIKSDCVRDVKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.912,262-623-6,61142-41-4,Vinylcyclooctane,vinylcyclooctane,C=CC1CCCCCCC1,C=CC1CCCCCCC1,"InChI=1/C10H18/c1-2-10-8-6-4-3-5-7-9-10/h2,10H,1,3-9H2",C10H18,,,,,,UPHVHMSLLBDZEV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.885,241-691-0,17693-51-5,Promethazine teoclate,"8-chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine (1:1)",CC(CN1c2ccccc2Sc3ccccc13)N(C)C.CN4C(=O)N(C)c5[nH]c(Cl)nc5C4=O,CC(CN1c2ccccc2Sc3ccccc13)N(C)C.CN4C(=O)N(C)c5[nH]c(Cl)nc5C4=O,"InChI=1/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)",C17H20N2S.C7H7ClN4O2,,,,,,YCXARMXCESBEDS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.888,241-694-7,17695-46-4,4-methyl-2-oxo-2H-1-benzopyran-7-yl butyrate,4-methyl-2-oxo-2H-chromen-7-yl butyrate,CCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3",C14H14O4,,,,,,WKPUJZVCZXWKCK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.891,241-697-3,17696-61-6,sec-butyl 4-hydroxybenzoate,sec-butyl 4-hydroxybenzoate,CCC(C)OC(=O)c1ccc(O)cc1,CCC(C)OC(=O)c1ccc(O)cc1,"InChI=1/C11H14O3/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8,12H,3H2,1-2H3",C11H14O3,,,,,,ZUOTXZHOGPQFIU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.910,241-718-6,17716-41-5,"Trisodium 5-amino-4-hydroxy-3-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-amino-4-hydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(cc(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(cc(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H13N3O10S3.3Na/c17-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)19-18-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,20H,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3",C16H13N3O10S3.3Na,,,,,,LQRFRNFLSZCOHZ-UHFFFAOYSA-K,,,,,,,,,,,
100.037.917,241-725-4,17736-01-5,"Dipentyl hydrogen phosphate, compound with (Z)-octadec-9-en-1-amine (1:1)",dipentyl hydrogen phosphate - octadec-9-en-1-amine (1:1),CCCCCCCC\\C=C/CCCCCCCCN.CCCCCOP(=O)(O)OCCCCC,CCCCCCCC\C=C/CCCCCCCCN.CCCCCOP(=O)(O)OCCCCC,"InChI=1/C18H37N.C10H23O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h9-10H,2-8,11-19H2,1H3;3-10H2,1-2H3,(H,11,12)",C18H37N.C10H23O4P,,,,,,KQVBOPFRMLBVAE-KVVVOXFISA-N,,,,,,,,,,,
100.031.855,235-054-6,12063-74-0,"Iron, compound with neodymium (17:2)",iron - neodymium (17:2),[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Nd].[Nd],[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Nd].[Nd],InChI=1/17Fe.2Nd/q17*+2;2*+3,Fe.Nd,,,,,,BJBWBYJKDGDLPD-UHFFFAOYSA-N,,,,,,,,,,,
100.032.124,235-350-5,12183-15-2,"Iron, compound with samarium (17:2)",iron - samarium (17:2),[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Sm].[Sm],[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Sm].[Sm],InChI=1/17Fe.2Sm/q19*+2,Fe.Sm,,,,,,VDOQVIASYDAOAG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.630,237-009-6,13575-60-5,"Diethyldithiocarbamic acid, diester with 1,3-bis(mercaptomethyl)urea","8-ethyl-3-oxo-7-thioxo-6-thia-2,4,8-triazadec-1-yl diethyldithiocarbamate",CCN(CC)C(=S)SCNC(=O)NCSC(=S)N(CC)CC,CCN(CC)C(=S)SCNC(=O)NCSC(=S)N(CC)CC,"InChI=1/C13H26N4OS4/c1-5-16(6-2)12(19)21-9-14-11(18)15-10-22-13(20)17(7-3)8-4/h5-10H2,1-4H3,(H2,14,15,18)",C13H26N4OS4,,,,,,SKCIXVXNJSASNY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.637,237-016-4,13586-84-0,"Stearic acid, cobalt salt",-,[Co+2].CCCCCCCCCCCCCCCCCC(=O)[O-],[Co+2].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1",C18H36O2.xCo,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13406,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.637,OPAGYJJCQOCJBW-UHFFFAOYSA-M,,,,,,,,,,,
100.033.650,237-031-6,13593-03-8,Quinalphos,"O,O-diethyl O-quinoxalin-2-yl thiophosphate",CCOP(=S)(OCC)Oc1cnc2ccccc2n1,CCOP(=S)(OCC)Oc1cnc2ccccc2n1,"InChI=1/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3",C12H15N2O3PS,,,,,,JYQUHIFYBATCCY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.661,237-043-1,13596-46-8,Diammonium cobalt bis(sulphate),diammonium cobalt bis(sulphate),[NH4+].[NH4+].[Co+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[Co+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Co.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2",Co.2H3N.2H2O4S,,,,,,NUHXWPRATKOXDB-UHFFFAOYSA-L,,,,,,,,,,,
100.039.046,242-967-3,19330-29-1,Cobalt(2+) ethanolate,cobalt(2+) diethanolate,[Co+2].CC[O-].CC[O-],[Co+2].CC[O-].CC[O-],"InChI=1/2C2H5O.Co/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2",C2H6O.1/2Co,,,,,,FRCRDSKTAZVJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.064,242-987-2,19354-50-8,3-methoxybenzo[b]thiophene-3-carboxylic acid,"3-methoxy-2,3-dihydro-1-benzothiophene-3-carboxylic acid",COC1(CSc2ccccc12)C(=O)O,COC1(CSc2ccccc12)C(=O)O,"InChI=1/C10H10O3S/c1-13-10(9(11)12)6-14-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H,11,12)",C10H8O3S,,,,,,LOKNHMSDVLWTHW-UHFFFAOYSA-N,,,,,,,,,,,
100.039.065,242-988-8,19354-51-9,Methyl 3-methoxybenzo[b]thiophene-3-carboxylate,"methyl 3-methoxy-2,3-dihydro-1-benzothiophene-3-carboxylate",COC(=O)C1(CSc2ccccc12)OC,COC(=O)C1(CSc2ccccc12)OC,"InChI=1/C11H12O3S/c1-13-10(12)11(14-2)7-15-9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3",C11H10O3S,,,,,,KBODTFKQUZCVLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.067,242-990-9,19356-17-3,Calcifediol,"9,10-secocholesta-5,7,10-triene-3,25-diol",C=C1CC[C@H](O)CC1=CC=C3CCC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)(C)O,C=C1CC[C@H](O)CC1=CC=C3CCC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)(C)O,"InChI=1/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3",C27H44O2,,,,,,JWUBBDSIWDLEOM-DLBXBJKMSA-N,,,,,,,,,,,
100.032.450,235-709-6,12589-81-0,"Bismuth, compound with strontium (3:1)",-,[SrH2].[Bi].[Bi].[Bi],[SrH2].[Bi].[Bi].[Bi],InChI=1/3Bi.Sr.2H/q3*+3;+2;;/r3Bi.H2Sr/h;;;1H2/q3*+3;+2,Bi.Sr,,,,,,BPMXVBZZXRKORB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.453,235-712-2,12593-60-1,Diammonium phosphate sulphate,diammonium phosphate sulphate,[NH4+].[NH4+].[O-]P(=O)([O-])[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[O-]P(=O)([O-])[O-].[O-]S(=O)(=O)[O-],"InChI=1/2H3N.H3O4P.H2O4S/c;;2*1-5(2,3)4/h2*1H3;(H3,1,2,3,4);(H2,1,2,3,4)/p-3",H11N2O8PS,,,,,,KNQKRMVYLDOGCT-UHFFFAOYSA-K,,,,,,,,,,,
100.032.454,235-713-8,12597-76-1,"Silver, compound with tin (1:1)",-,[Ag].[Sn],[Ag].[Sn],InChI=1/Ag.Sn.2H/q+1;+4;;/rAg.H2Sn/h;1H2/q+1;+4,Ag.Sn,,,,,,QCEUXSAXTBNJGO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.465,235-725-3,12626-43-6,Chromium hydroxide,chromium(2+) dihydroxide,[OH-].[OH-].[Cr+2],[OH-].[OH-].[Cr+2],InChI=1/Cr.2H2O/h;2*1H2/q+2;;/p-2,-,,,,,,JSIVCHPFSUMIIU-UHFFFAOYSA-L,,,,,,,,,,,
100.032.480,235-742-6,12645-45-3,Iridium chloride,iridium(3+) trichloride,[Cl-].[Cl-].[Cl-].[Ir+3],[Cl-].[Cl-].[Cl-].[Ir+3],InChI=1/3ClH.Ir/h3*1H;/q;;;+3/p-3,-,,,,,,DANYXEHCMQHDNX-UHFFFAOYSA-K,,,,,,,,,,,
100.032.484,235-746-8,12650-28-1,"Silicic acid, barium salt",barium oxosilanediolate,[Ba+2].[O-][Si](=O)[O-],[Ba+2].[O-][Si](=O)[O-],InChI=1/Ba.O3Si/c;1-4(2)3/q+2;-2,-,,,,,,HMOQPOVBDRFNIU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.848,239-449-4,15438-65-0,Methyl (hydroxymethyl)-carbamate,methyl (hydroxymethyl)carbamate,COC(=O)NCO,COC(=O)NCO,"InChI=1/C3H7NO3/c1-7-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)",C3H7NO3,,,,,,QLIOROOVARTAMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.850,239-452-0,15441-06-2,"Dimethyl 3,3'-dithiobispropionate","dimethyl 3,3'-disulfanediyldipropanoate",COC(=O)CCSSCCC(=O)OC,COC(=O)CCSSCCC(=O)OC,"InChI=1/C8H14O4S2/c1-11-7(9)3-5-13-14-6-4-8(10)12-2/h3-6H2,1-2H3",C8H14O4S2,,,,,,OSZKBWPMEPEYFU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.863,239-466-7,15448-99-4,"2-methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","2-methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide",CN1C(=O)c2ccccc2S1(=O)=O,CN1C(=O)c2ccccc2S1(=O)=O,"InChI=1/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3",C8H7NO3S,,,,,,DDIIAJRLFATEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.864,239-467-2,15449-66-8,"Bicyclo[2.2.1]heptane-2,2-dimethanol","bicyclo[2.2.1]heptane-2,2-diyldimethanol",OCC1(CO)CC2CCC1C2,OCC1(CO)CC2CCC1C2,"InChI=1/C9H16O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h7-8,10-11H,1-6H2",C9H16O2,,,,,,RGXKKPWZFFCHNE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.870,239-474-0,15457-05-3,Fluorodifen,2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene,[O-][N+](=O)c1ccc(Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc1,[O-][N+](=O)c1ccc(Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc1,"InChI=1/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H",C13H7F3N2O5,,,,,,HHMCAJWVGYGUEF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.873,239-477-7,15458-48-7,"1,2,3,6,-tetrahydro-N-(2-hydroxyethyl)phthalimide","2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",OCCN1C(=O)C2CC=CCC2C1=O,OCCN1C(=O)C2CC=CCC2C1=O,"InChI=1/C10H13NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-2,7-8,12H,3-6H2",C10H13NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10301,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.873,MRADHZSVGNCOQU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.874,239-478-2,15458-61-4,"9-oxabicyclo[3.3.1]nonane-2,6-diol","9-oxabicyclo[3.3.1]nonane-2,6-diol",OC1CCC2OC1CCC2O,OC1CCC2OC1CCC2O,"InChI=1/C8H14O3/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-10H,1-4H2",C8H14O3,,,,,,SIZKKURETCQUKI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.375,242-229-0,18359-88-1,"1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-propenyl]naphtho[1,2-d]thiazolium iodide","1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium iodide",[I-].CC[n+]4c5c6ccccc6ccc5sc4C=CC=C3Sc2ccc1ccccc1c2N3CC,[I-].CC[n+]4c5c6ccccc6ccc5sc4C=CC=C3Sc2ccc1ccccc1c2N3CC,"InChI=1/C29H25N2S2.HI/c1-3-30-26(32-24-18-16-20-10-5-7-12-22(20)28(24)30)14-9-15-27-31(4-2)29-23-13-8-6-11-21(23)17-19-25(29)33-27;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",C29H25N2S2.I,,,,,,FMJJHXXHXVIAON-UHFFFAOYSA-M,,,,,,,,,,,
100.038.386,242-241-6,18368-63-3,6-chloro-2-methylpyridine,2-chloro-6-methylpyridine,Cc1cccc(Cl)n1,Cc1cccc(Cl)n1,"InChI=1/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3",C6H6ClN,,,,,,GXZDYRYYNXYPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.823,236-121-2,13173-22-3,1-allyl-2-methyl-1H-imidazole,1-allyl-2-methyl-1H-imidazole,Cc1nccn1CC=C,Cc1nccn1CC=C,"InChI=1/C7H10N2/c1-3-5-9-6-4-8-7(9)2/h3-4,6H,1,5H2,2H3",C7H10N2,,,,,,SUILEBXRIVKHGT-UHFFFAOYSA-N,,,,,,,,,,,
100.032.826,236-124-9,13177-41-8,Dimethyloctadecyl(3-sulphopropyl)ammonium hydroxide,"N,N-dimethyl-N-(3-sulfopropyl)octadecan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,[OH-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,"InChI=1/C23H49NO3S.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27;/h4-23H2,1-3H3;1H2",C23H49NO3S,,,,,,RWWMTLBGGWWMJA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.103,265-033-7,64716-81-0,Sodium 2-sulphonatoethyl undec-10-enoate,sodium 2-(undec-10-enoyloxy)ethanesulfonate,[Na+].[O-]S(=O)(=O)CCOC(=O)CCCCCCCCC=C,[Na+].[O-]S(=O)(=O)CCOC(=O)CCCCCCCCC=C,"InChI=1/C13H24O5S.Na/c1-2-3-4-5-6-7-8-9-10-13(14)18-11-12-19(15,16)17;/h2H,1,3-12H2,(H,15,16,17);/q;+1/p-1",C13H24O5S.Na,,,,,,PTLFHEHCDQXTMS-UHFFFAOYSA-M,,,,,,,,,,,
100.059.105,265-035-8,64726-91-6,"(R,Z)-5-(1-decenyl)dihydrofuran-2(3H)-one",5-dec-1-en-1-yldihydrofuran-2(3H)-one,CCCCCCCC\\C=C/[C@H]1CCC(=O)O1,CCCCCCCC\C=C/[C@H]1CCC(=O)O1,"InChI=1/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h9-10,13H,2-8,11-12H2,1H3",C14H24O2,,,,,,QTGIYXFCSKXKMO-XPSMFNQNSA-N,,,,,,,,,,,
100.055.764,261-360-4,58600-86-5,"(+)-4'-(2-methylbutoxy)[1,1'-biphenyl]-4-carbonitrile",4'-(2-methylbutoxy)biphenyl-4-carbonitrile,CCC(C)COc1ccc(cc1)c2ccc(cc2)C#N,CCC(C)COc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C18H19NO/c1-3-14(2)13-20-18-10-8-17(9-11-18)16-6-4-15(12-19)5-7-16/h4-11,14H,3,13H2,1-2H3",C18H19NO,,,,,,WBUQBWQWNDKJJR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.766,261-363-0,58605-87-1,1-isopropylhydrazinecarbonitrile,1-isopropylhydrazinecarbonitrile,CC(C)N(N)C#N,CC(C)N(N)C#N,"InChI=1/C4H9N3/c1-4(2)7(6)3-5/h4H,6H2,1-2H3",C4H9N3,,,,,,VRPHXQGTAUWCFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.770,261-367-2,58625-96-0,Ethyl 2-methylpent-2-en-1-oate,ethyl 2-methylpent-2-enoate,CCC=C(C)C(=O)OCC,CCC=C(C)C(=O)OCC,"InChI=1/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3",C8H14O2,,,,,,HYQYCHQAUPHFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.775,261-373-5,58641-28-4,Dipotassium octenylsuccinate,dipotassium 2-oct-1-en-1-ylsuccinate,[K+].[K+].[O-]C(=O)CC(C=CCCCCCC)C([O-])=O,[K+].[K+].[O-]C(=O)CC(C=CCCCCCC)C([O-])=O,"InChI=1/C12H20O4.2K/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;;/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16);;/q;2*+1/p-2",C12H20O4.2K,,,,,,SHNNJNCGZLQUMY-UHFFFAOYSA-L,,,,,,,,,,,
100.055.779,261-377-7,58651-76-6,p-nitrophenyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate,4-nitrophenyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate,CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C17H23N3O7S/c1-11(21)18-10-28-9-14(19-16(23)27-17(2,3)4)15(22)26-13-7-5-12(6-8-13)20(24)25/h5-8,14H,9-10H2,1-4H3,(H,18,21)(H,19,23)",C17H23N3O7S,,,,,,YMMVJNPHWLDKCQ-AWEZNQCLSA-N,,,,,,,,,,,
100.055.781,261-379-8,58652-20-3,"17-hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione 17-acetate","17-acetyl-6-methyl-3-oxoestra-4,6-dien-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3",C23H30O4,,,,,,IIVBFTNIGYRNQY-YQLZSBIMSA-N,,,,,,,,,,,
100.055.782,261-380-3,58654-36-7,5-methylhexan-2-one tert-butylhydrazone,"1-tert-butyl-2-(1,4-dimethylpentylidene)hydrazine",CC(C)(C)NN=C(C)CCC(C)C,CC(C)(C)NN=C(C)CCC(C)C,"InChI=1/C11H24N2/c1-9(2)7-8-10(3)12-13-11(4,5)6/h9,13H,7-8H2,1-6H3",C11H24N2,,,,,,CBLLQLCAUGKBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.786,261-385-0,58670-89-6,2-decyltetradecanol,2-decyltetradecan-1-ol,CCCCCCCCCCCCC(CO)CCCCCCCCCC,CCCCCCCCCCCCC(CO)CCCCCCCCCC,"InChI=1/C24H50O/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3",C24H50O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15971,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.786,CAYHVMBQBLYQMT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.788,261-387-1,58673-12-4,"Diethyl 1H-1,2,4-triazol-1-ylphosphonite","diethyl 1H-1,2,4-triazol-1-ylphosphonite",CCOP(OCC)n1cncn1,CCOP(OCC)n1cncn1,"InChI=1/C6H12N3O2P/c1-3-10-12(11-4-2)9-6-7-5-8-9/h5-6H,3-4H2,1-2H3",C6H12N3O2P,,,,,,XKRHVCGADOFZMR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.792,261-391-3,58686-39-8,"5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one","5-amino-4-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CC1C(=NN(C1=O)c2ccccc2)N,CC1C(=NN(C1=O)c2ccccc2)N,"InChI=1/C10H11N3O/c1-7-9(11)12-13(10(7)14)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,12)",C10H11N3O,,,,,,FPPATQVGROAEOV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.800,261-400-0,58712-50-8,"N,N-diethylguanidinium sulphate",bis(N-carbamimidoyl-N-ethylethanaminium) sulfate,CC[NH+](CC)C(=N)N.CC[NH+](CC)C(=N)N.[O-]S(=O)(=O)[O-],CC[NH+](CC)C(=N)N.CC[NH+](CC)C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2C5H13N3.H2O4S/c2*1-3-8(4-2)5(6)7;1-5(2,3)4/h2*3-4H2,1-2H3,(H3,6,7);(H2,1,2,3,4)",C5H13N3.xH2O4S,,,,,,VZAFCEFGYOMBML-UHFFFAOYSA-N,,,,,,,,,,,
100.055.807,261-407-9,58725-39-6,1-(1-oxododecyl)-L-proline,1-dodecanoyl-L-proline,CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O,CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-13-16(19)18-14-11-12-15(18)17(20)21/h15H,2-14H2,1H3,(H,20,21)",C17H31NO3,,,,,,AJWFQCNUNFFTHX-HNNXBMFYSA-N,,,,,,,,,,,
100.055.270,260-817-5,57573-46-3,"(2a,6a,11R*)-3-benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc4ccccc4,CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc4ccccc4,"InChI=1/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3",C21H25NO,,,,,,RPMPAQXGZYLEST-UVDRSEBZSA-N,,,,,,,,,,,
100.056.914,262-625-7,61147-36-2,a-ethyl-4-(2-methylpropyl)benzeneacetyl chloride,2-(4-isobutylphenyl)butanoyl chloride,CCC(C(=O)Cl)c1ccc(CC(C)C)cc1,CCC(C(=O)Cl)c1ccc(CC(C)C)cc1,"InChI=1/C14H19ClO/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3",C14H19ClO,,,,,,HVRCVRNPCRTEPH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.825,264-727-7,64194-22-5,"3-methyl-1,5-pentanediyl diacrylate","3-methylpentane-1,5-diyl bisacrylate",CC(CCOC(=O)C=C)CCOC(=O)C=C,CC(CCOC(=O)C=C)CCOC(=O)C=C,"InChI=1/C12H18O4/c1-4-11(13)15-8-6-10(3)7-9-16-12(14)5-2/h4-5,10H,1-2,6-9H2,3H3",C12H18O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17579,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.825,IQGIEMYBDGDBMR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.831,264-734-5,64221-86-9,Imipenem,6-(1-hydroxyethyl)-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate,O.C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N,O.C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N,"InChI=1/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2",C12H17N3O4S,,,,,,GSOSVVULSKVSLQ-JJVRHELESA-N,,,,,,,,,,,
100.058.839,264-742-9,64228-80-4,"2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium] dimethanesulphonate","2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium] dimethanesulfonate",COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.CS(=O)(=O)[O-].CS(=O)(=O)[O-],COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.CS(=O)(=O)[O-].CS(=O)(=O)[O-],"InChI=1/C53H72N2O12.2CH4O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*1-5(2,3)4/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1H3,(H,2,3,4)/q+2;;/p-2",C53H72N2O12.2CH3O3S,,,,,,YOVGQSPPOZQQBB-UHFFFAOYSA-L,,,,,,,,,,,
100.058.840,264-743-4,64228-81-5,Atracurium besilate,"2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium] bisbenzenesulfonate",COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.[O-]S(=O)(=O)c7ccccc7.[O-]S(=O)(=O)c8ccccc8,COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.[O-]S(=O)(=O)c7ccccc7.[O-]S(=O)(=O)c8ccccc8,"InChI=1/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2",C53H72N2O12.2C6H5O3S,,,,,,XXZSQOVSEBAPGS-UHFFFAOYSA-L,,,,,,,,,,,
100.058.848,264-752-3,64248-63-1,"3,5-difluorobenzonitrile","3,5-difluorobenzonitrile",Fc1cc(F)cc(c1)C#N,Fc1cc(F)cc(c1)C#N,InChI=1/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,C7H3F2N,,,,,,CQXZSEXZQVKCHW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.849,264-753-9,64248-64-2,"2,5-difluorobenzonitrile","2,5-difluorobenzonitrile",Fc1ccc(F)c(c1)C#N,Fc1ccc(F)c(c1)C#N,InChI=1/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,C7H3F2N,,,,,,OJTMHIMQUQOLJV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.852,264-757-0,64253-30-1,"Oxybis(ethane-2,1-diyloxyethane-2,1-diyl) bis[3-(dodecylthio)propionate]","13-oxo-3,6,9,12-tetraoxa-16-thiaoctacos-1-yl 3-(dodecylsulfanyl)propanoate (non-preferred name)",CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC,CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC,"InChI=1/C38H74O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-46-35-23-37(39)44-31-29-42-27-25-41-26-28-43-30-32-45-38(40)24-36-47-34-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C38H74O7S2,,,,,,NMWLFOFCBZILSO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.858,264-763-3,64265-57-2,"2-ethyl-2-[[3-(2-methylaziridin-1-yl)propionyl]methyl]propane-1,3-diyl bis(2-methylaziridine-1-propionate)",2-ethyl-6-(2-methylaziridin-1-yl)-2-({[3-(2-methylaziridin-1-yl)propanoyl]oxy}methyl)-4-oxohexyl 3-(2-methylaziridin-1-yl)propanoate (non-preferred name),CCC(COC(=O)CCN1CC1C)(COC(=O)CCN2CC2C)CC(=O)CCN3CC3C,CCC(COC(=O)CCN1CC1C)(COC(=O)CCN2CC2C)CC(=O)CCN3CC3C,"InChI=1/C24H41N3O5/c1-5-24(12-21(28)6-9-25-13-18(25)2,16-31-22(29)7-10-26-14-19(26)3)17-32-23(30)8-11-27-15-20(27)4/h18-20H,5-17H2,1-4H3",C24H41N3O6,,,,,,UTLLDWHDPDJEAI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.860,264-765-4,64283-57-4,Sodium (Z)-2-hydroxy-3-[(2-hydroxyethyl)[2-[(1-oxo-9-octadecenyl)amino]ethyl]amino]propanesulphonate,sodium 2-hydroxy-3-{(2-hydroxyethyl)[2-(oleoylamino)ethyl]amino}propane-1-sulfonate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)NCCN(CCO)CC(O)CS(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)NCCN(CCO)CC(O)CS(=O)(=O)[O-],"InChI=1/C25H50N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-18-19-27(20-21-28)22-24(29)23-34(31,32)33;/h9-10,24,28-29H,2-8,11-23H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1",C25H50N2O6S.Na,,,,,,HPHSQXYITTYVEY-KVVVOXFISA-M,,,,,,,,,,,
100.061.464,267-631-3,67905-12-8,[4-[[4-(diethylamino)-2-methylphenyl]azo]phenacyl]trimethylammonium chloride,"2-(4-{[4-(diethylamino)-2-methylphenyl]diazenyl}phenyl)-N,N,N-trimethyl-2-oxoethanaminium chloride",[Cl-].C[N+](C)(C)CC(=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC)cc2,[Cl-].C[N+](C)(C)CC(=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC)cc2,"InChI=1/C22H31N4O.ClH/c1-7-25(8-2)20-13-14-21(17(3)15-20)24-23-19-11-9-18(10-12-19)22(27)16-26(4,5)6;/h9-15H,7-8,16H2,1-6H3;1H/q+1;/p-1",C22H31N4O.Cl,,,,,,DKBLEALIIXWHPE-UHFFFAOYSA-M,,,,,,,,,,,
100.039.078,243-002-9,19372-45-3,Diammonium hexakis(thiocyanato)platinate,diammonium hexakis(thiocyanato-kappaS)platinate(2-),[NH4+].[NH4+].N#CS[Pt-2](SC#N)(SC#N)(SC#N)(SC#N)SC#N,[NH4+].[NH4+].N#CS[Pt-2](SC#N)(SC#N)(SC#N)(SC#N)SC#N,"InChI=1/6CHNS.2H3N.Pt/c6*2-1-3;;;/h6*3H;2*1H3;/q;;;;;;;;+4/p-4/rC6N6PtS6.2H3N/c7-1-14-13(15-2-8,16-3-9,17-4-10,18-5-11)19-6-12;;/h;2*1H3/q-2;;/p+2",C6N6PtS6.2H4N,,,,,,VXNSIKCPSLASGA-UHFFFAOYSA-J,,,,,,,,,,,
100.039.080,243-005-5,19377-70-9,Methyl a-hydroxyfuran-2-acetate,methyl 2-furyl(hydroxy)acetate,COC(=O)C(O)c1occc1,COC(=O)C(O)c1occc1,"InChI=1/C7H8O4/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4,6,8H,1H3",C7H8O4,,,,,,AOCNXXRNLGYQJO-UHFFFAOYSA-N,,,,,,,,,,,
100.039.081,243-006-0,19377-73-2,a-hydroxyfuran-2-acetic acid,2-furyl(hydroxy)acetic acid,OC(C(=O)O)c1occc1,OC(C(=O)O)c1occc1,"InChI=1/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)",C6H6O4,,,,,,RTLDJXGEOSVJEX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.086,243-011-8,19386-06-2,"Ethyl ß-tricyclo[3.3.1.13,7]decyl-ß-oxopropionate",ethyl 3-adamantan-1-yl-3-oxopropanoate,CCOC(=O)CC(=O)C12CC3CC(CC(C3)C1)C2,CCOC(=O)CC(=O)C12CC3CC(CC(C3)C1)C2,"InChI=1/C15H22O3/c1-2-18-14(17)6-13(16)15-7-10-3-11(8-15)5-12(4-10)9-15/h10-12H,2-9H2,1H3",C15H22O3,,,,,,FOISHGXCIBGQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.089,243-014-4,19387-91-8,Tinidazole,1-[2-(ethylsulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole,CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],"InChI=1/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3",C8H13N3O4S,,,,,,HJLSLZFTEKNLFI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.090,243-016-5,19388-87-5,Taurolidine,"4,4'-methylenebis(1,2,4-thiadiazinane) 1,1,1',1'-tetraoxide",O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1,O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1,"InChI=1/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2",C7H16N4O4S2,,,,,,AJKIRUJIDFJUKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.091,243-017-0,19393-11-4,"Pentane-2,4-dione, monopotassium salt",-,[K+].CC(=O)CC(=O)C,[K+].CC(=O)CC(=O)C,"InChI=1/C5H8O2.K/c1-4(6)3-5(2)7;/h3H2,1-2H3;/q;+1",C5H7O2.K,,,,,,MRUJNIAKPWYVIK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.928,241-738-5,17743-62-3,"N-[2-(4-chlorophenyl)-1,1-dimethylethyl]acetamide","N-[2-(4-chlorophenyl)-1,1-dimethylethyl]acetamide",CC(=O)NC(C)(C)Cc1ccc(Cl)cc1,CC(=O)NC(C)(C)Cc1ccc(Cl)cc1,"InChI=1/C12H16ClNO/c1-9(15)14-12(2,3)8-10-4-6-11(13)7-5-10/h4-7H,8H2,1-3H3,(H,14,15)",C12H16ClNO,,,,,,XJPIYPCUNZKJSK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.929,241-739-0,17744-86-4,"Bis(1,1-dimethylethoxy)dimethylsilane",di-tert-butoxy(dimethyl)silane,CC(C)(C)O[Si](C)(C)OC(C)(C)C,CC(C)(C)O[Si](C)(C)OC(C)(C)C,"InChI=1/C10H24O2Si/c1-9(2,3)11-13(7,8)12-10(4,5)6/h1-8H3",C10H24O2Si,,,,,,BGPNEHJZZDIFND-UHFFFAOYSA-N,,,,,,,,,,,
100.037.933,241-743-2,17752-85-1,"Trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,"InChI=1/C19H12Cl2N6O10S3.3Na/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34;;;/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;;/q;3*+1/p-3",C19H12Cl2N6O10S3.3Na,,,,,,YQEHHPFEQLDFCN-UHFFFAOYSA-K,,,,,,,,,,,
100.037.934,241-744-8,17754-44-8,"Dipotassium hydrogen 15a-hydroxy-2ß-[[2-O-isovaleryl-3,4a-di-O-sulphonato-ß-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oate","hydrogen dipotassium 7-hydroxy-11b-methyl-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-beta-D-glucopyranosyl]oxy}-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate",[H+].[K+].[K+].CC(C)CC(=O)O[C@@H]5[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H](CO)O[C@H]5O[C@H]1C[C@]2(C)[C@H]4CC[C@H]3C[C@]4(CC[C@H]2[C@@H](C1)C([O-])=O)[C@@H](O)C3=C,[H+].[K+].[K+].CC(C)CC(=O)O[C@@H]5[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H](CO)O[C@H]5O[C@H]1C[C@]2(C)[C@H]4CC[C@H]3C[C@]4(CC[C@H]2[C@@H](C1)C([O-])=O)[C@@H](O)C3=C,"InChI=1/C30H46O16S2.2K.H2/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;;1H/q;3*+1/p-3",C30H46O16S2.2K,,,,,,IUCNQFHEWLYECJ-NFVMRPHMSA-L,,,,,,,,,,,
100.037.935,241-745-3,17754-90-4,4-(diethylamino)salicylaldehyde,4-(diethylamino)-2-hydroxybenzaldehyde,CCN(CC)c1ccc(C=O)c(O)c1,CCN(CC)c1ccc(C=O)c(O)c1,"InChI=1/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3",C11H15NO2,,,,,,XFVZSRRZZNLWBW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.936,241-746-9,17756-68-2,5-octylfuran-2(5H)-one,5-octylfuran-2(5H)-one,CCCCCCCCC1OC(=O)C=C1,CCCCCCCCC1OC(=O)C=C1,"InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3",C12H20O2,,,,,,BWXCHUAWFSHXMU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.937,241-747-4,17760-13-3,Trichloro(trichloromethyl)silane,trichloro(trichloromethyl)silane,ClC(Cl)(Cl)[Si](Cl)(Cl)Cl,ClC(Cl)(Cl)[Si](Cl)(Cl)Cl,"InChI=1/CCl6Si/c2-1(3,4)8(5,6)7",CCl6Si,,,,,,YWUUHVWMPSPGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.032.827,236-125-4,13177-49-6,Sodium icosyl sulphate,sodium icosyl sulfate,[Na+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C20H42O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1",C20H42O4S.Na,,,,,,QNVVZAPPULYURG-UHFFFAOYSA-M,,,,,,,,,,,
100.032.831,236-130-1,13182-87-1,[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl] hydrogen succinate,4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-4-oxobutanoic acid,Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCC(=O)O,Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCC(=O)O,"InChI=1/C10H13N3O6/c1-7-11-6-8(13(17)18)12(7)4-5-19-10(16)3-2-9(14)15/h6H,2-5H2,1H3,(H,14,15)",C10H13N3O6,,,,,,APPATXNXXOVPAY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.832,236-131-7,13182-89-3,2-methyl-5-nitro-1H-imidazole-1-ethyl benzoate,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate,Cc1ncc(N(=O)=O)n1CCOC(=O)c2ccccc2,Cc1ncc(N(=O)=O)n1CCOC(=O)c2ccccc2,"InChI=1/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3",C13H13N3O4,,,,,,CUUCCLJJOWSASK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.833,236-132-2,13183-79-4,"1,2-dihydro-1-methyl-5H-tetrazole-5-thione","1-methyl-1,2-dihydro-5H-tetrazole-5-thione",CN1NN=NC1=S,CN1NN=NC1=S,"InChI=1/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)",C2H4N4S,,,,,,XOHZHMUQBFJTNH-UHFFFAOYSA-N,,,,,,,,,,,
100.032.838,236-138-5,13185-09-6,"1-benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt",-,[Na+].O=C1NN(Cc2ccccc2)c3ccccc13,[Na+].O=C1NN(Cc2ccccc2)c3ccccc13,"InChI=1/C14H12N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,15,17);/q;+1",C14H12N2O.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11771,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.838,POYTWGDRMIVNEF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.839,236-139-0,13185-53-0,"1-methylcyclohexane-1,2-dicarboxylic acid","1-methylcyclohexane-1,2-dicarboxylic acid",CC1(CCCCC1C(=O)O)C(=O)O,CC1(CCCCC1C(=O)O)C(=O)O,"InChI=1/C9H14O4/c1-9(8(12)13)5-3-2-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11)(H,12,13)",C9H14O4,,,,,,PMUPSYZVABJEKC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.840,236-140-6,13186-45-3,"Trisodium 5,5'-(3-carboxylato-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylate)","trisodium 3,3'-[(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoate)",[Na+].[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])C(=C2C=CC(=O)C(=C2)C(=O)[O-])c3ccc(O)c(c3)C(=O)[O-],[Na+].[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])C(=C2C=CC(=O)C(=C2)C(=O)[O-])c3ccc(O)c(c3)C(=O)[O-],"InChI=1/C22H14O9.3Na/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);;;/q;3*+1/p-3",C22H14O9.3Na,,,,,,XWOVYFGIWQEHHR-UHFFFAOYSA-K,,,,,,,,,,,
100.032.843,236-143-2,13188-60-8,"Dodecanedioic acid, compound with hexane-1,6-diamine (1:1)","dodecanedioic acid - hexane-1,6-diamine (1:1)",NCCCCCCN.OC(=O)CCCCCCCCCCC(=O)O,NCCCCCCN.OC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C12H22O4.C6H16N2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;7-5-3-1-2-4-6-8/h1-10H2,(H,13,14)(H,15,16);1-8H2",C12H22O4.C6H16N2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5860,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.843,ZMUCVNSKULGPQG-UHFFFAOYSA-N,,,,,,,,,,,
100.032.852,236-153-7,13194-67-7,4-fluoro-2-iodotoluene,4-fluoro-2-iodo-1-methylbenzene,Cc1ccc(F)cc1I,Cc1ccc(F)cc1I,"InChI=1/C7H6FI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3",C7H6FI,,,,,,RZGYAMQMAVTAKP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.854,236-155-8,13195-50-1,2-bromo-5-nitrothiophene,2-bromo-5-nitrothiophene,[O-][N+](=O)c1ccc(Br)s1,[O-][N+](=O)c1ccc(Br)s1,InChI=1/C4H2BrNO2S/c5-3-1-2-4(9-3)6(7)8/h1-2H,C4H2BrNO2S,,,,,,ZPNFMDYBAQDFDY-UHFFFAOYSA-N,,,,,,,,,,,
100.032.860,236-162-6,13195-80-7,"1,1-dibromopropene","1,1-dibromoprop-1-ene",CC=C(Br)Br,CC=C(Br)Br,"InChI=1/C3H4Br2/c1-2-3(4)5/h2H,1H3",C3H4Br2,,,,,,HTEJLXYOJZOXKM-UHFFFAOYSA-N,,,,,,,,,,,
100.032.861,236-163-1,13197-74-5,Disodium 4-hexadecyl 2-sulphonatosuccinate,disodium 4-(hexadecyloxy)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H38O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-19(21)17-18(20(22)23)28(24,25)26;;/h18H,2-17H2,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2",C20H38O7S.2Na,,,,,,IBMVOXQFHDYLER-UHFFFAOYSA-L,,,,,,,,,,,
100.032.862,236-164-7,13197-76-7,Dodecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium,3-[dodecyl(dimethyl)ammonio]-2-hydroxypropane-1-sulfonate,CCCCCCCCCCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-],CCCCCCCCCCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-],"InChI=1/C17H37NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-18(2,3)15-17(19)16-23(20,21)22/h17,19H,4-16H2,1-3H3",C17H37NO4S,,,,,,DDGPBVIAYDDWDH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.224,239-863-5,15770-22-6,Potassium D-arabinonate,"potassium 2,3,4,5-tetrahydroxypentanoate (non-preferred name)",[K+].OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],[K+].OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],"InChI=1/C5H10O6.K/c6-1-2(7)3(8)4(9)5(10)11;/h2-4,6-9H,1H2,(H,10,11);/q;+1/p-1",C5H10O6.K,,,,,,HSMKJRYJAZFMNP-PSRPMNHMSA-M,,,,,,,,,,,
100.036.226,239-865-6,15773-23-6,Iron acrylate,iron(2+) diacrylate,[Fe+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Fe+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Fe/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.xFe,,,,,,GNOZLGOOOBMHRC-UHFFFAOYSA-L,,,,,,,,,,,
100.036.228,239-867-7,15773-52-1,Lead(2+) decanoate,decanoic acid,CCCCCCCCCC(=O)O,CCCCCCCCCC(=O)O,"InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",C10H20O2.1/2Pb,,,,,,GHVNFZFCNZKVNT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.271,260-818-0,57574-09-1,Amineptine,"7-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylamino)heptanoic acid",OC(=O)CCCCCCNC1c2ccccc2CCc3ccccc13,OC(=O)CCCCCCNC1c2ccccc2CCc3ccccc13,"InChI=1/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)",C22H27NO2,,,,,,ONNOFKFOZAJDHT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.272,260-819-6,57575-15-2,"2,2,2-tribromoethyl morpholinochlorophosphonate","2,2,2-tribromoethyl morpholin-4-ylphosphonochloridoate",ClP(=O)(OCC(Br)(Br)Br)N1CCOCC1,ClP(=O)(OCC(Br)(Br)Br)N1CCOCC1,"InChI=1/C6H10Br3ClNO3P/c7-6(8,9)5-14-15(10,12)11-1-3-13-4-2-11/h1-5H2",C6H10Br3ClNO3P,,,,,,LROSUTJPBMEPEY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.274,260-821-7,57576-14-4,"2,6,6-trimethyl-2-cyclohexene-1-acetonitrile","(2,6,6-trimethylcyclohex-2-en-1-yl)acetonitrile",CC1=CCCC(C)(C)C1CC#N,CC1=CCCC(C)(C)C1CC#N,"InChI=1/C11H17N/c1-9-5-4-7-11(2,3)10(9)6-8-12/h5,10H,4,6-7H2,1-3H3",C11H17N,,,,,,DVISWOPVEBTPRG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.278,260-825-9,57582-42-0,Hexadecyl acetoacetate,hexadecyl 3-oxobutanoate,CCCCCCCCCCCCCCCCOC(=O)CC(=O)C,CCCCCCCCCCCCCCCCOC(=O)CC(=O)C,"InChI=1/C20H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)18-19(2)21/h3-18H2,1-2H3",C20H38O3,,,,,,QJADJIMJRBMECI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.282,260-830-6,57583-54-7,Tetraphenyl m-phenylene bis(phosphate),"tetraphenyl 1,3-phenylene bis(phosphate)",O=P(Oc1ccccc1)(Oc2ccccc2)Oc3cccc(OP(=O)(Oc4ccccc4)Oc5ccccc5)c3,O=P(Oc1ccccc1)(Oc2ccccc2)Oc3cccc(OP(=O)(Oc4ccccc4)Oc5ccccc5)c3,"InChI=1/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H",C30H24O8P2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15877,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.282,OWICEWMBIBPFAH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.284,260-832-7,57583-69-4,"Trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C23H14Cl2N6O10S3.3Na/c24-21-27-22(25)29-23(28-21)26-15-9-12(42(33,34)35)7-11-8-16(43(36,37)38)18(19(32)17(11)15)31-30-14-6-5-10-3-1-2-4-13(10)20(14)44(39,40)41;;;/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29);;;/q;3*+1/p-3",C23H14Cl2N6O10S3.3Na,,,,,,ZZHYREJHWJCRBB-UHFFFAOYSA-K,,,,,,,,,,,
100.055.286,260-834-8,57583-74-1,3-methyl-2-[[p-(N-methylanilino)phenyl]azo]thiazolium methyl sulphate,"3-methyl-2-({4-[methyl(phenyl)amino]phenyl}diazenyl)-1,3-thiazol-3-ium methyl sulfate",COS(=O)(=O)[O-].CN(c1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C,COS(=O)(=O)[O-].CN(c1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C,"InChI=1/C17H17N4S.CH4O4S/c1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C17H17N4S.CH3O4S,,,,,,DUOFITVAUAHUEE-UHFFFAOYSA-M,,,,,,,,,,,
100.055.287,260-835-3,57583-83-2,"2-[(8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo]naphthalene-1,5-disulphonic acid","2-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthyl)diazenyl]naphthalene-1,5-disulfonic acid",OS(=O)(=O)c4cccc3c4ccc(N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)c3S(O)(=O)=O,OS(=O)(=O)c4cccc3c4ccc(N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)c3S(O)(=O)=O,"InChI=1/C20H15N3O13S4/c21-13-8-10(37(25,26)27)6-9-7-16(39(31,32)33)18(19(24)17(9)13)23-22-14-5-4-11-12(20(14)40(34,35)36)2-1-3-15(11)38(28,29)30/h1-8,24H,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)",C20H15N3O13S4,,,,,,GAUPYFDEVHTURJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.288,260-836-9,57586-92-2,(E)-tetrahydro-2-(11-tetradecenyloxy)-2H-pyran,2-(tetradec-11-en-1-yloxy)tetrahydro-2H-pyran,CC\\C=C\\CCCCCCCCCCOC1CCCCO1,CC\C=C\CCCCCCCCCCOC1CCCCO1,"InChI=1/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,19H,2,5-18H2,1H3",C19H36O2,,,,,,FLWVGSJSYVWGTC-ONEGZZNKSA-N,,,,,,,,,,,
100.055.298,260-847-9,57609-64-0,"Propane-1,3-diyl bis(4-aminobenzoate)","propane-1,3-diyl bis(4-aminobenzoate)",Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2,Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2,"InChI=1/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2",C17H18N2O4,,,,,,YPACMOORZSDQDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.170,262-906-4,61692-83-9,Propyl 2-methylcrotonate,propyl 2-methylbut-2-enoate,CCCOC(=O)\\C(=C\\C)\\C,CCCOC(=O)\C(=C\C)\C,"InChI=1/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3",C8H14O2,,,,,,RZWMDOQSXWAAMC-FNORWQNLSA-N,,,,,,,,,,,
100.057.171,262-908-5,61692-84-0,Isobutyl 2-methylcrotonate,isobutyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCC(C)C,C\C=C(/C)\C(=O)OCC(C)C,"InChI=1/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3",C9H16O2,,,,,,XDEGQMQKHFPBEW-VMPITWQZSA-N,,,,,,,,,,,
100.057.172,262-909-0,61693-42-3,"3-amino-2,4-dichlorophenol","3-amino-2,4-dichlorophenol",Nc1c(Cl)ccc(O)c1Cl,Nc1c(Cl)ccc(O)c1Cl,"InChI=1/C6H5Cl2NO/c7-3-1-2-4(10)5(8)6(3)9/h1-2,10H,9H2",C6H5Cl2NO,,,,,,SYRZWFBWUASJJI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.469,267-637-6,67905-18-4,"Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate","{[4-(1,2-dicyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl]imino}diethane-2,1-diyl dibenzoate",CCOC(=O)\\C(=C(/C#N)\\c1ccc(cc1)N(CCOC(=O)c2ccccc2)CCOC(=O)c3ccccc3)\\C#N,CCOC(=O)\C(=C(/C#N)\c1ccc(cc1)N(CCOC(=O)c2ccccc2)CCOC(=O)c3ccccc3)\C#N,"InChI=1/C31H27N3O6/c1-2-38-31(37)28(22-33)27(21-32)23-13-15-26(16-14-23)34(17-19-39-29(35)24-9-5-3-6-10-24)18-20-40-30(36)25-11-7-4-8-12-25/h3-16H,2,17-20H2,1H3",C31H27N3O6,,,,,,OWKBILOEFQPKBZ-BYYHNAKLSA-N,,,,,,,,,,,
100.061.475,267-643-9,67905-25-3,[2-[bis(2-hydroxyhexadecyl)amino]ethyl]ethyl(2-hydroxyethyl)(2-hydroxyhexadecyl)ammonium ethyl sulphate,N-{2-[bis(2-hydroxyhexadecyl)amino]ethyl}-N-ethyl-2-hydroxy-N-(2-hydroxyethyl)hexadecan-1-aminium ethyl sulfate,CCCCCCCCCCCCCCC(O)CN(CC[N+](CC)(CCO)CC(O)CCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCC(O)CN(CC[N+](CC)(CCO)CC(O)CCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C54H113N2O4.C2H6O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-52(58)49-55(50-53(59)43-40-37-34-31-28-25-22-19-16-13-10-6-2)45-46-56(8-4,47-48-57)51-54(60)44-41-38-35-32-29-26-23-20-17-14-11-7-3;1-2-6-7(3,4)5/h52-54,57-60H,5-51H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C54H113N2O4.C2H5O4S,,,,,,NXUBTWSETLKQJZ-UHFFFAOYSA-M,,,,,,,,,,,
100.061.477,267-646-5,67905-27-5,Aluminium tri(octacosanolate),aluminum trioctacosan-1-olate,[Al+3].CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-],"InChI=1/3C28H57O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29;/h3*2-28H2,1H3;/q3*-1;+3",C28H58O.1/3Al,,,,,,WFYYEDFTTMWDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.488,267-658-0,67905-38-8,"2,3,4,5-tetrachloro-6-[(dihexylamino)carbonyl]benzoic acid","2,3,4,5-tetrachloro-6-(dihexylcarbamoyl)benzoic acid",CCCCCCN(CCCCCC)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,CCCCCCN(CCCCCC)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,"InChI=1/C20H27Cl4NO3/c1-3-5-7-9-11-25(12-10-8-6-4-2)19(26)13-14(20(27)28)16(22)18(24)17(23)15(13)21/h3-12H2,1-2H3,(H,27,28)",C20H27Cl4NO3,,,,,,DOVOIHLVRGFQDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.492,267-662-2,67905-42-4,Tetratriacontyl methacrylate,tetratriacontyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C38H74O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-40-38(39)37(2)3/h2,4-36H2,1,3H3",C38H74O2,,,,,,OIUCPPFBFOLPIO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.499,267-670-6,67905-49-1,2-methylnonyl methacrylate,2-methylnonyl methacrylate,CCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C14H26O2/c1-5-6-7-8-9-10-13(4)11-16-14(15)12(2)3/h13H,2,5-11H2,1,3-4H3",C14H26O2,,,,,,HVRYPBMZOOJQMD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.500,261-069-2,58001-44-8,Clavulanic acid,3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,O=C1C[C@H]2OC(=CCO)[C@@H](N12)C(O)=O,O=C1C[C@H]2OC(=CCO)[C@@H](N12)C(O)=O,"InChI=1/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)",C8H9NO5,,,,,,HZZVJAQRINQKSD-RNFRBKRXSA-N,,,,,,,,,,,
100.055.501,261-070-8,58001-88-0,"(E)-2,6,10-trimethylundeca-5,9-dienol","2,6,10-trimethylundeca-5,9-dien-1-ol",CC(CO)CC\\C=C(/C)\\CCC=C(C)C,CC(CO)CC\C=C(/C)\CCC=C(C)C,"InChI=1/C14H26O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,14-15H,5-6,8,10-11H2,1-4H3",C14H26O,,,,,,SVHDKVPXRARVAO-UKTHLTGXSA-N,,,,,,,,,,,
100.055.503,261-072-9,58014-01-0,"2-bromo-9,11ß-dichloro-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)","2-bromo-9,11-dichloro-6-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,"InChI=1/C26H30BrCl2FO6/c1-12-6-15-16-7-19(30)17-8-20(33)18(27)9-23(17,4)25(16,29)21(28)10-24(15,5)26(12,36-14(3)32)22(34)11-35-13(2)31/h8-9,12,15-16,19,21H,6-7,10-11H2,1-5H3",C26H30BrCl2FO6,,,,,,CAPJXOFUERKRLV-KSJJEJIISA-N,,,,,,,,,,,
100.057.437,263-200-9,61791-76-2,"3-ethoxy-N,N-diethyl-4-nitrosoaniline","3-ethoxy-N,N-diethyl-4-nitrosoaniline",CCOc1cc(ccc1N=O)N(CC)CC,CCOc1cc(ccc1N=O)N(CC)CC,"InChI=1/C12H18N2O2/c1-4-14(5-2)10-7-8-11(13-15)12(9-10)16-6-3/h7-9H,4-6H2,1-3H3",C12H18N2O2,,,,,,ZGIPPORIRYMMLA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.442,263-206-1,61791-82-0,3-oxo-3-phenyl-N-[4-[[(p-tolyl)sulphonyl]amino]phenyl]propionamide,N-(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)-3-oxo-3-phenylpropanamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(NC(=O)CC(=O)c3ccccc3)cc2,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(NC(=O)CC(=O)c3ccccc3)cc2,"InChI=1/C22H20N2O4S/c1-16-7-13-20(14-8-16)29(27,28)24-19-11-9-18(10-12-19)23-22(26)15-21(25)17-5-3-2-4-6-17/h2-14,24H,15H2,1H3,(H,23,26)",C22H20N2O4S,,,,,,WNXSUQCWAVWWEE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.444,263-208-2,61791-92-2,Ditridecyl maleate,ditridecyl but-2-enedioate,CCCCCCCCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCCCCCCC,"InChI=1/C30H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24,27-28H2,1-2H3",C30H56O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16369,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.444,DFKBFBPHOGVNGQ-QPLCGJKRSA-N,,,,,,,,,,,
100.037.943,241-754-2,17773-10-3,Choline iodide,"2-hydroxy-N,N,N-trimethylethanaminium iodide",[I-].C[N+](C)(C)CCO,[I-].C[N+](C)(C)CCO,"InChI=1/C5H14NO.HI/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1",C5H14NO.I,,,,,,FNPBHXSBDADRBT-UHFFFAOYSA-M,,,,,,,,,,,
100.037.958,241-771-5,17795-21-0,"1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, monosodium salt",-,[Na+].O=C1NC=Nc2[nH]ncc12,[Na+].O=C1NC=Nc2[nH]ncc12,"InChI=1/C5H4N4O.Na/c10-5-3-1-8-9-4(3)6-2-7-5;/h1-2H,(H2,6,7,8,9,10);/q;+1",C5H4N4O.Na,,,,,,PTJRZVJXXNYNLN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.960,241-773-6,17795-26-5,3-(allylsulphinyl)-L-alanine,3-(allylsulfinyl)-L-alanine,N[C@@H](CS(=O)CC=C)C(=O)O,N[C@@H](CS(=O)CC=C)C(=O)O,"InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",C6H11NO3S,,,,,,XUHLIQGRKRUKPH-ITZCMCNPSA-N,,,,,,,,,,,
100.037.961,241-774-1,17796-82-6,N-(cyclohexylthio)phthalimide,"2-(cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione",O=C1N(SC2CCCCC2)C(=O)c3ccccc13,O=C1N(SC2CCCCC2)C(=O)c3ccccc13,"InChI=1/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2",C14H15NO2S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14519,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.961,UEZWYKZHXASYJN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.969,241-783-0,17823-38-0,"4-amino-2,3,5,6-tetrafluorobenzonitrile","4-amino-2,3,5,6-tetrafluorobenzonitrile",Nc1c(F)c(F)c(C#N)c(F)c1F,Nc1c(F)c(F)c(C#N)c(F)c1F,InChI=1/C7H2F4N2/c8-3-2(1-12)4(9)6(11)7(13)5(3)10/h13H2,C7H2F4N2,,,,,,ZFQKTZQBBRHWPC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.760,240-453-3,16400-72-9,"6-heptyl-5,6-dihydro-2H-pyran-2-one","6-heptyl-5,6-dihydro-2H-pyran-2-one",CCCCCCCC1CC=CC(=O)O1,CCCCCCCC1CC=CC(=O)O1,"InChI=1/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3",C12H20O2,,,,,,XPTXKXKPWKNYKB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.773,240-468-5,16420-13-6,Dimethylthiocarbamoyl chloride,dimethylcarbamothioic chloride,CN(C)C(=S)Cl,CN(C)C(=S)Cl,InChI=1/C3H6ClNS/c1-5(2)3(4)6/h1-2H3,C3H6ClNS,,,,,,PHWISQNXPLXQRU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.776,240-471-1,16421-41-3,"2-[[5-acetamido-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]benzylamino]ethyl acetate","2-[{5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxyphenyl}(benzyl)amino]ethyl acetate",COc3cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc3N(Cc2ccccc2)CCOC(C)=O)NC(C)=O,COc3cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc3N(Cc2ccccc2)CCOC(C)=O)NC(C)=O,"InChI=1/C26H26N6O8/c1-17(33)27-22-14-25(30(11-12-40-18(2)34)16-19-7-5-4-6-8-19)26(39-3)15-23(22)29-28-21-10-9-20(31(35)36)13-24(21)32(37)38/h4-10,13-15H,11-12,16H2,1-3H3,(H,27,33)",C26H26N6O8,,,,,,JNVFJTYCXXHXEF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.777,240-472-7,16423-26-0,"Endo-2-[3,3-dimethylbicyclo[2.2.1]hept-2-yl]ethanol","2-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethanol",CC1(C)C2CCC(C2)C1CCO,CC1(C)C2CCC(C2)C1CCO,"InChI=1/C11H20O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10,12H,3-7H2,1-2H3",C11H20O,,,,,,DUINBOMGEZFPDK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.780,240-475-3,16424-31-0,5-oxomyristic acid,5-oxotetradecanoic acid,CCCCCCCCCC(=O)CCCC(=O)O,CCCCCCCCCC(=O)CCCC(=O)O,"InChI=1/C14H26O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h2-12H2,1H3,(H,16,17)",C14H26O3,,,,,,KGKVVLCMDWQMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.783,240-479-5,16426-83-8,Niometacin,[5-methoxy-2-methyl-1-(pyridin-3-ylcarbonyl)-1H-indol-3-yl]acetic acid,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3cccnc3,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3cccnc3,"InChI=1/C18H16N2O4/c1-11-14(9-17(21)22)15-8-13(24-2)5-6-16(15)20(11)18(23)12-4-3-7-19-10-12/h3-8,10H,9H2,1-2H3,(H,21,22)",C18H16N2O4,,,,,,DDQOEXWUZHRSOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.784,240-480-0,16427-65-9,4-[(5-carbamoyl-o-tolyl)azo]-4'-chloro-3-hydroxynaphth-2-anilide,4-[(5-carbamoyl-2-methylphenyl)diazenyl]-N-(4-chlorophenyl)-3-hydroxy-2-naphthamide,Cc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4ccc(Cl)cc4)C(=O)N,Cc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4ccc(Cl)cc4)C(=O)N,"InChI=1/C25H19ClN4O3/c1-14-6-7-16(24(27)32)13-21(14)29-30-22-19-5-3-2-4-15(19)12-20(23(22)31)25(33)28-18-10-8-17(26)9-11-18/h2-13,31H,1H3,(H2,27,32)(H,28,33)",C25H19ClN4O3,,,,,,WOMXYSXYGGUMHS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.786,240-482-1,16429-17-7,6-cyclopentyltetrahydro-2H-pyran-2-one,6-cyclopentyltetrahydro-2H-pyran-2-one,O=C1CCCC(O1)C2CCCC2,O=C1CCCC(O1)C2CCCC2,"InChI=1/C10H16O2/c11-10-7-3-6-9(12-10)8-4-1-2-5-8/h8-9H,1-7H2",C10H16O2,,,,,,FBDVAVKHDCUJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.790,240-486-3,16432-45-4,4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]benzenesulphonamide,4-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonamide,Oc3ccc(cc3N=Nc1c2ccccc2ccc1O)S(N)(=O)=O,Oc3ccc(cc3N=Nc1c2ccccc2ccc1O)S(N)(=O)=O,"InChI=1/C16H13N3O4S/c17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H,(H2,17,22,23)",C16H13N3O4S,,,,,,VIEKHUZQPKISOF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.794,240-491-0,16436-00-3,Octyl acetoacetate,octyl 3-oxobutanoate,CCCCCCCCOC(=O)CC(=O)C,CCCCCCCCOC(=O)CC(=O)C,"InChI=1/C12H22O3/c1-3-4-5-6-7-8-9-15-12(14)10-11(2)13/h3-10H2,1-2H3",C12H22O3,,,,,,IKYDDBGYKFPTGF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.229,239-868-2,15773-53-2,Lead dihexanoate,-,[Pb+2].O=C([O-])CCCCC.[O-]C(=O)CCCCC,[Pb+2].O=C([O-])CCCCC.[O-]C(=O)CCCCC,"InChI=1/2C6H12O2.Pb.2H/c2*1-2-3-4-5-6(7)8;;;/h2*2-5H2,1H3,(H,7,8);;;/q;;+4;;/p-2/r2C6H12O2.H2Pb/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);1H2/q;;+4/p-2",C6H12O2.1/2Pb,,,,,,UELQWBTWVFWJLG-UHFFFAOYSA-L,,,,,,,,,,,
100.036.231,239-870-3,15773-56-5,Lead dipalmitate,-,[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC,[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC,"InChI=1/2C16H32O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h2*2-15H2,1H3,(H,17,18);;;/q;;+4;;/p-2/r2C16H32O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);1H2/q;;+4/p-2",C16H32O2.1/2Pb,,,,,,QZWHQSRWOYUNFT-UHFFFAOYSA-L,,,,,,,,,,,
100.036.232,239-871-9,15774-82-0,2-methyl-9H-thioxanthen-9-one,2-methyl-9H-thioxanthen-9-one,Cc1ccc2Sc3ccccc3C(=O)c2c1,Cc1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C14H10OS/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3",C14H10OS,,,,,,MYISVPVWAQRUTL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.237,239-877-1,15782-03-3,Strontium 4-[(4-chloro-3-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1),strontium 4-[(4-chloro-3-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[SrH2].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O,[SrH2].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O,"InChI=1/C17H11ClN2O6S.Sr.2H/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23;;;/h1-8,21H,(H,22,23)(H,24,25,26);;;/q;+2;;/p-2/rC17H11ClN2O6S.H2Sr/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23;/h1-8,21H,(H,22,23)(H,24,25,26);1H2/q;+2/p-2",C17H11ClN2O6S.Sr,,,,,,XXAGCLUZHRWQAF-UHFFFAOYSA-L,,,,,,,,,,,
100.036.238,239-878-7,15782-04-4,Barium bis[4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate],barium bis{4-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate},[Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O,[Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O,"InChI=1/2C16H12N2O4S.Ba/c2*19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h2*1-10,19H,(H,20,21,22);/q;;+2/p-2",C16H12N2O4S.1/2Ba,,,,,,BEXFCYUYPJZRLU-UHFFFAOYSA-L,,,,,,,,,,,
100.036.245,239-886-0,15787-49-2,2-cyclohexylpyridine,2-cyclohexylpyridine,C1CCC(CC1)c2ccccn2,C1CCC(CC1)c2ccccn2,"InChI=1/C11H15N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h4-5,8-10H,1-3,6-7H2",C11H15N,,,,,,HUTHUTALXJNNRS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.001,241-817-4,17866-53-4,"N,N''-[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropane-3,1-diyl]bis(ethylenediamine)","N~1~,N~1~'-[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropane-3,1-diyl]diethane-1,2-diamine",C[Si](C)(CCCNCCN)O[Si](C)(C)CCCNCCN,C[Si](C)(CCCNCCN)O[Si](C)(C)CCCNCCN,"InChI=1/C14H38N4OSi2/c1-20(2,13-5-9-17-11-7-15)19-21(3,4)14-6-10-18-12-8-16/h17-18H,5-16H2,1-4H3",C14H38N4OSi2,,,,,,YOKCSBYSSHOWSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.009,241-826-3,17872-98-9,Trimethylsilyl p-toluenesulphonate,trimethylsilyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)O[Si](C)(C)C,Cc1ccc(cc1)S(=O)(=O)O[Si](C)(C)C,"InChI=1/C10H16O3SSi/c1-9-5-7-10(8-6-9)14(11,12)13-15(2,3)4/h5-8H,1-4H3",C10H16O3SSi,,,,,,GDEWVMDXPUXBKU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.013,241-831-0,17878-44-3,(4-bromophenoxy)trimethylsilane,(4-bromophenoxy)(trimethyl)silane,C[Si](C)(C)Oc1ccc(Br)cc1,C[Si](C)(C)Oc1ccc(Br)cc1,"InChI=1/C9H13BrOSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7H,1-3H3",C9H13BrOSi,,,,,,HWKPTBHJWBSOOP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.017,241-835-2,17887-41-1,"Dichloro(1,1-dimethylethyl)phenylsilane",tert-butyl(dichloro)phenylsilane,CC(C)(C)[Si](Cl)(Cl)c1ccccc1,CC(C)(C)[Si](Cl)(Cl)c1ccccc1,"InChI=1/C10H14Cl2Si/c1-10(2,3)13(11,12)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14Cl2Si,,,,,,OCXPCSGIIJESOA-UHFFFAOYSA-N,,,,,,,,,,,
100.032.499,235-763-0,12672-51-4,Cobalt hydroxide,cobalt(2+) dihydroxide,[OH-].[OH-].[Co+2],[OH-].[OH-].[Co+2],InChI=1/Co.2H2O/h;2*1H2/q+2;;/p-2,-,,,,,,ASKVAEGIVYSGNY-UHFFFAOYSA-L,,,,,,,,,,,
100.034.001,237-416-9,13777-22-5,Hafnium tetrabromide,hafnium tetrabromide,[Br-].[Br-].[Br-].[Br-].[Hf+4],[Br-].[Br-].[Br-].[Br-].[Hf+4],InChI=1/4BrH.Hf/h4*1H;/q;;;;+4/p-4,Br4Hf,,,,,,FEEFWFYISQGDKK-UHFFFAOYSA-J,,,,,,,,,,,
100.034.004,237-420-0,13779-10-7,Promethium trichloride,promethium trichloride,[Cl-].[Cl-].[Cl-].[Pm+3],[Cl-].[Cl-].[Cl-].[Pm+3],InChI=1/3ClH.Pm/h3*1H;/q;;;+3/p-3,Cl3Pm,,,,,,KAKNBYVEBALXNX-UHFFFAOYSA-K,,,,,,,,,,,
100.034.005,237-421-6,13779-41-4,Difluorophosphoric acid,phosphorodifluoridic acid,OP(=O)(F)F,OP(=O)(F)F,"InChI=1/F2HO2P/c1-5(2,3)4/h(H,3,4)",F2HO2P,,,,,,DGTVXEHQMSJRPE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.011,237-427-9,13780-18-2,Calcium selenite,calcium selenite,[Ca+2].[O-][Se](=O)[O-],[Ca+2].[O-][Se](=O)[O-],"InChI=1/Ca.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",Ca.H2O3Se,,,,,,UWZXJRBXKTZILP-UHFFFAOYSA-L,,,,,,,,,,,
100.034.022,237-439-4,13784-55-9,Bis(tridecan-1-yl) carbonate,ditridecyl carbonate,CCCCCCCCCCCCCOC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)OCCCCCCCCCCCCC,"InChI=1/C27H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-27(28)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C27H54O3,,,,,,GKVQWKKFAVIRMY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.178,262-915-3,61702-44-1,2-chloro p-phenylenediamine sulphate,"2-chlorobenzene-1,4-diamine sulfate",Nc1ccc(N)c(Cl)c1.OS(=O)(=O)O,Nc1ccc(N)c(Cl)c1.OS(=O)(=O)O,"InChI=1/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)",C6H7ClN2.H2O4S,,,,,,GQFGHCRXPLROOF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.183,262-921-6,61702-59-8,"Disodium 1,1-bis(carboxymethyl)-4,5-dihydro-2-undecyl-1H-imidazolium chloride",-,[Na+].[Na+].[Cl-].CCCCCCCCCCCC1=NCC[N+]1(CC(=O)O)CC(=O)O,[Na+].[Na+].[Cl-].CCCCCCCCCCCC1=NCC[N+]1(CC(=O)O)CC(=O)O,"InChI=1/C18H32N2O4.ClH.2Na/c1-2-3-4-5-6-7-8-9-10-11-16-19-12-13-20(16,14-17(21)22)15-18(23)24;;;/h2-15H2,1H3,(H-,21,22,23,24);1H;;/q;;2*+1",C18H33N2O4.Cl.2Na,,,,,,AXGUOLFZRQMIQS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.184,262-922-1,61702-60-1,"Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium chloride",-,[Na+].[Cl-].CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,[Na+].[Cl-].CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C16H30N2O3.ClH.Na/c1-2-3-4-5-6-7-8-9-15-17-10-11-18(15,12-13-19)14-16(20)21;;/h19H,2-14H2,1H3;1H;/q;;+1",C16H31N2O3.Cl.Na,,,,,,POVUGDKHMUIRIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.186,262-924-2,61702-64-5,N-[[2-[bis(2-hydroxyethyl)amino]ethoxy]methyl]stearamide,N-({2-[bis(2-hydroxyethyl)amino]ethoxy}methyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCOCCN(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)NCOCCN(CCO)CCO,"InChI=1/C25H52N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-24-31-23-20-27(18-21-28)19-22-29/h28-29H,2-24H2,1H3,(H,26,30)",C25H52N2O4,,,,,,ZFTNSSDKWRIVEY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.189,262-927-9,61702-91-8,(tert-butyl)quinoline,2-tert-butylquinoline,CC(C)(C)c1ccc2ccccc2n1,CC(C)(C)c1ccc2ccccc2n1,"InChI=1/C13H15N/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12/h4-9H,1-3H3",C13H15N,,,,,,PYCYTTRLLIKJBU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.193,262-932-6,61714-42-9,6-[(phenylsulphonyl)amino]hexanoic acid,6-[(phenylsulfonyl)amino]hexanoic acid,OC(=O)CCCCCNS(=O)(=O)c1ccccc1,OC(=O)CCCCCNS(=O)(=O)c1ccccc1,"InChI=1/C12H17NO4S/c14-12(15)9-5-2-6-10-13-18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2,(H,14,15)",C12H17NO4S,,,,,,KKKPOIVLPJUNEA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.199,262-938-9,61732-85-2,Bamipine hydrochloride,N-benzyl-1-methyl-N-phenylpiperidin-4-amine hydrochloride,Cl.CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3,Cl.CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3,"InChI=1/C19H24N2.ClH/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;/h2-11,19H,12-16H2,1H3;1H",C19H24N2.2ClH,,,,,,OIKFTEUNPYSIGY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.200,262-939-4,61732-96-5,"2-hexyl-4,7-dihydro-1,3-dioxepin","2-hexyl-4,7-dihydro-1,3-dioxepine",CCCCCCC1OCC=CCO1,CCCCCCC1OCC=CCO1,"InChI=1/C11H20O2/c1-2-3-4-5-8-11-12-9-6-7-10-13-11/h6-7,11H,2-5,8-10H2,1H3",C11H20O2,,,,,,BKMHRWAUFCKQFT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.205,262-945-7,61745-54-8,Calcium N-(1-oxooctadecyl)-L-glutamate (1:1),calcium 2-(stearoylamino)pentanedioate,[CaH2].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[CaH2].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C23H43NO5.Ca.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);;;/q;+2;;/p-2/rC23H43NO5.CaH2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);1H2/q;+2/p-2",C23H43NO5.Ca,,,,,,SPIYXUNAARDHMT-MLQCRBJCSA-L,,,,,,,,,,,
100.057.208,262-948-3,61745-57-1,Calcium(2+) N6-(1-oxooctadecyl)-L-lysinate,calcium bis[2-amino-6-(stearoylamino)hexanoate],[Ca+2].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],"InChI=1/2C24H48N2O3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29;/h2*22H,2-21,25H2,1H3,(H,26,27)(H,28,29);/q;;+2/p-2",C24H48N2O3.1/2Ca,,,,,,MUAREIYWGDWFQC-VRCDMBAWSA-L,,,,,,,,,,,
100.061.755,267-950-8,67953-32-6,Isobutyl (hydroxymethyl)-carbamate,isobutyl (hydroxymethyl)carbamate,CC(C)COC(=O)NCO,CC(C)COC(=O)NCO,"InChI=1/C6H13NO3/c1-5(2)3-10-6(9)7-4-8/h5,8H,3-4H2,1-2H3,(H,7,9)",C6H13NO3,,,,,,ZOUPSODOXQZUIW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.762,267-958-1,67959-61-9,"Ethyl 3,3-bis[(2-ethoxy-2-oxoethyl)thio]butyrate","ethyl 3,3-bis[(2-ethoxy-2-oxoethyl)sulfanyl]butanoate",CCOC(=O)CSC(C)(CC(=O)OCC)SCC(=O)OCC,CCOC(=O)CSC(C)(CC(=O)OCC)SCC(=O)OCC,"InChI=1/C14H24O6S2/c1-5-18-11(15)8-14(4,21-9-12(16)19-6-2)22-10-13(17)20-7-3/h5-10H2,1-4H3",C14H24O6S2,,,,,,SHNHPBBQUGHACF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.763,267-959-7,67966-88-5,"1-amino-9,10-dihydro-4-[(4-hydroxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-hydroxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(O)cc4)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(O)cc4)cc1S(=O)(=O)O,"InChI=1/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)",C20H14N2O6S,,,,,,KFBGXLCLNATBFL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.811,261-412-6,58728-64-6,4-aminonaphthalene-1-carbonitrile,4-amino-1-naphthonitrile,Nc1ccc(C#N)c2ccccc12,Nc1ccc(C#N)c2ccccc12,"InChI=1/C11H8N2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,13H2",C11H8N2,,,,,,LUSIZUFVMKYWGX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.448,263-212-4,61792-09-4,"Pentasodium pentahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",pentasodium pentahydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.5Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;/q;5*+1/p-10",C9H28N3O15P5.5Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11192,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.448,QRIAWZKHYOWOAR-UHFFFAOYSA-D,,,,,,,,,,,
100.057.450,263-215-0,61792-12-9,Cinnamyl 2-methylcrotonate,3-phenylprop-2-en-1-yl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OC\\C=C\\c1ccccc1,C\C=C(/C)\C(=O)OC\C=C\c1ccccc1,"InChI=1/C14H16O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3",C14H16O2,,,,,,KRNURAJANZKGQN-IBIBRXRCSA-N,,,,,,,,,,,
100.057.451,263-216-6,61792-25-4,Dichlorobenzothiazol-2-amine,"4,5-dichloro-1,3-benzothiazol-2-amine",Nc1nc2c(Cl)c(Cl)ccc2s1,Nc1nc2c(Cl)c(Cl)ccc2s1,"InChI=1/C7H4Cl2N2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11)",C7H4Cl2N2S,,,,,,GMOFXJZIUQGHTF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.452,263-217-1,61792-30-1,"17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-9-en-7-ol","17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-9-en-7-ol",CCCCCCC(O)CC=CCCCCCCCC=1NCCN=1,CCCCCCC(O)CC=CCCCCCCCC=1NCCN=1,"InChI=1/C20H38N2O/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20-21-17-18-22-20/h9,12,19,23H,2-8,10-11,13-18H2,1H3,(H,21,22)",C20H38N2O,,,,,,UCTKELURUYVOGP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.458,263-223-4,61792-48-1,"Sodium O,O-bis(methylphenyl) dithiophosphate","sodium O,O-bis(2-methylphenyl) dithiophosphate",[Na+].Cc1ccccc1OP(=S)([S-])Oc2ccccc2C,[Na+].Cc1ccccc1OP(=S)([S-])Oc2ccccc2C,"InChI=1/C14H15O2PS2.Na/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1",C14H15O2PS2.Na,,,,,,UVBFFTCXSYRBPU-UHFFFAOYSA-M,,,,,,,,,,,
100.057.459,263-225-5,61792-51-6,Methylcyclohexyl propionate,1-methylcyclohexyl propionate,CCC(=O)OC1(C)CCCCC1,CCC(=O)OC1(C)CCCCC1,"InChI=1/C10H18O2/c1-3-9(11)12-10(2)7-5-4-6-8-10/h3-8H2,1-2H3",C10H18O2,,,,,,JOVZWOOOHJRNCD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.949,262-663-4,61214-13-9,Methyltris(phenylmethoxy)silane,tris(benzyloxy)(methyl)silane,C[Si](OCc1ccccc1)(OCc2ccccc2)OCc3ccccc3,C[Si](OCc1ccccc1)(OCc2ccccc2)OCc3ccccc3,"InChI=1/C22H24O3Si/c1-26(23-17-20-11-5-2-6-12-20,24-18-21-13-7-3-8-14-21)25-19-22-15-9-4-10-16-22/h2-16H,17-19H2,1H3",C22H24O3Si,,,,,,GEIHDEVWPDTQIM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.950,262-665-5,61214-14-0,(3-chloropropyl)tris(1-methylethoxy)silane,(3-chloropropyl)(triisopropoxy)silane,CC(C)O[Si](CCCCl)(OC(C)C)OC(C)C,CC(C)O[Si](CCCCl)(OC(C)C)OC(C)C,"InChI=1/C12H27ClO3Si/c1-10(2)14-17(9-7-8-13,15-11(3)4)16-12(5)6/h10-12H,7-9H2,1-6H3",C12H27ClO3Si,,,,,,BBMMYRPBNQOFGU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.957,262-672-3,61241-05-2,"2-ethylhexyl 5-butyl-12-ethyl-5-[[3-[(2-ethylhexyl)oxy]-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate","2-ethylhexyl 5-butyl-12-ethyl-5-({3-[(2-ethylhexyl)oxy]-3-oxopropyl}sulfanyl)-9-oxo-10-oxa-4,6-dithia-5-stannahexadecan-1-oate",CCCCC(CC)COC(=O)CCS[Sn](CCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCS[Sn](CCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC,"InChI=1/3C11H22O2S.C4H9.Sn/c3*1-3-5-6-10(4-2)9-13-11(12)7-8-14;1-3-4-2;/h3*10,14H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC37H72O6S3Sn/c1-8-15-19-32(12-5)29-41-35(38)22-25-44-47(28-18-11-4,45-26-23-36(39)42-30-33(13-6)20-16-9-2)46-27-24-37(40)43-31-34(14-7)21-17-10-3/h32-34H,8-31H2,1-7H3",C37H72O6S3Sn,,,,,,WMEIKWMPSNOSKG-UHFFFAOYSA-K,,,,,,,,,,,
100.056.961,262-677-0,61260-32-0,Sodium p-isopropylphenolate,sodium 4-isopropylphenolate,[Na+].CC(C)c1ccc([O-])cc1,[Na+].CC(C)c1ccc([O-])cc1,"InChI=1/C9H12O.Na/c1-7(2)8-3-5-9(10)6-4-8;/h3-7,10H,1-2H3;/q;+1/p-1",C9H12O.Na,,,,,,VIJSNNRFTZHJFF-UHFFFAOYSA-M,,,,,,,,,,,
100.056.962,262-678-6,61260-54-6,"N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)ethylenediamine","N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine",CC1(C)CC(CC(C)(C)N1)NCCNC2CC(C)(C)NC(C)(C)C2,CC1(C)CC(CC(C)(C)N1)NCCNC2CC(C)(C)NC(C)(C)C2,"InChI=1/C20H42N4/c1-17(2)11-15(12-18(3,4)23-17)21-9-10-22-16-13-19(5,6)24-20(7,8)14-16/h15-16,21-24H,9-14H2,1-8H3",C20H42N4,,,,,,OFXVCLLHEWMVEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.969,262-685-4,61286-62-2,"2,5-dimethoxybenzenediazonium hexafluorophosphate","2,5-dimethoxybenzenediazonium hexafluorophosphate",COc1ccc(OC)c(c1)[N+]#N.F[P-](F)(F)(F)(F)F,COc1ccc(OC)c(c1)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C8H9N2O2.F6P/c1-11-6-3-4-8(12-2)7(5-6)10-9;1-7(2,3,4,5)6/h3-5H,1-2H3;/q+1;-1",C8H9N2O2.F6P,,,,,,DAPNIPMCTFGGCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.970,262-687-5,61286-65-5,"2,4-dimethoxybenzenediazonium hexafluorophosphate","2,4-dimethoxybenzenediazonium hexafluorophosphate",COc1ccc([N+]#N)c(OC)c1.F[P-](F)(F)(F)(F)F,COc1ccc([N+]#N)c(OC)c1.F[P-](F)(F)(F)(F)F,"InChI=1/C8H9N2O2.F6P/c1-11-6-3-4-7(10-9)8(5-6)12-2;1-7(2,3,4,5)6/h3-5H,1-2H3;/q+1;-1",C8H9N2O2.F6P,,,,,,FTXMPOWAMINQQY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.795,240-492-6,16436-29-6,Tetrahexylammonium benzoate,"N,N,N-trihexylhexan-1-aminium benzoate",CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-]C(=O)c1ccccc1,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-]C(=O)c1ccccc1,"InChI=1/C24H52N.C7H6O2/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;8-7(9)6-4-2-1-3-5-6/h5-24H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1",C24H52N.C7H5O2,,,,,,PSEQWFPWQRZBOO-UHFFFAOYSA-M,,,,,,,,,,,
100.033.668,237-051-5,13597-54-1,Zinc selenate,zinc selenate,[Zn+2].[O-][Se](=O)(=O)[O-],[Zn+2].[O-][Se](=O)(=O)[O-],"InChI=1/H2O4Se.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",H2O4Se.Zn,,,,,,GQLBMRKEAODAKR-UHFFFAOYSA-L,,,,,,,,,,,
100.033.695,237-080-3,13601-13-3,Dicopper hexacyanoferrate,dicopper(1+) hexakis(cyano-kappaC)ferrate(2-),[Cu+2].[Cu+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,[Cu+2].[Cu+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.2Cu.Fe/c6*1-2;;;/q;;;;;;2*+2;/rC6FeN6.2Cu/c8-1-7(2-9,3-10,4-11,5-12)6-13;;/q;2*+2",C6FeN6.2Cu,,,,,,XEWPHHZBGVPFQN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.696,237-081-9,13601-19-9,Tetrasodium hexacyanoferrate,tetrasodium hexacyanoferrate,[Na+].[Na+].[Na+].[Na+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,[Na+].[Na+].[Na+].[Na+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Fe.4Na/c6*1-2;;;;;/q;;;;;;;4*+1/rC6FeN6.4Na/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;;/q;4*+1",C6FeN6.4Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14479,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.696,OBOWFEZVRNRJBU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.703,237-089-2,13603-44-6,"2,6-dimethylpyridin-4-ol","2,6-dimethylpyridin-4-ol",Cc1cc(O)cc(C)n1,Cc1cc(O)cc(C)n1,"InChI=1/C7H9NO/c1-5-3-7(9)4-6(2)8-5/h3-4H,1-2H3,(H,8,9)",C7H9NO,,,,,,PRAFLUMTYHBEHE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.712,237-099-7,13614-98-7,"[4S-(4a,4aa,5aa,12aa)]-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride","4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)C1C2CC3Cc4c(ccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(=C1O)C(=O)N)N(C)C,CN(C)C1C2CC3Cc4c(ccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(=C1O)C(=O)N)N(C)C,"InChI=1/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)",C23H27N3O7.ClH,,,,,,DYKFCLLONBREIL-UHFFFAOYSA-N,,,,,,,,,,,
100.039.096,243-022-8,19395-78-9,"2,3-dihydro-1-(morpholinoacetyl)-3-phenylquinazolin-4(1H)-one monohydrochloride","1-(morpholin-4-ylacetyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one hydrochloride",Cl.O=C(CN1CCOCC1)N2CN(C(=O)c3ccccc23)c4ccccc4,Cl.O=C(CN1CCOCC1)N2CN(C(=O)c3ccccc23)c4ccccc4,"InChI=1/C20H21N3O3.ClH/c24-19(14-21-10-12-26-13-11-21)23-15-22(16-6-2-1-3-7-16)20(25)17-8-4-5-9-18(17)23;/h1-9H,10-15H2;1H",C20H21N3O3.ClH,,,,,,NUQJOBPPCCFWJG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.098,243-024-9,19396-06-6,"5-(2-amino-5-O-carbamoyl-2-deoxy-L-xylonamido-1,5-dideoxy-1-(3,4-dihydro-5-hydroxymethyl-2,4-dioxo-1(2H)-pyrimidinyl)-ß-D-allofuranuronic acid","{[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}{3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}acetic acid (non-preferred name)",NC(C(O)C(O)COC(=O)N)C(=O)NC(C1OC(C(O)C1O)N2C=C(CO)C(=O)NC2=O)C(=O)O,NC(C(O)C(O)COC(=O)N)C(=O)NC(C1OC(C(O)C1O)N2C=C(CO)C(=O)NC2=O)C(=O)O,"InChI=1/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)",C17H25N5O13,,,,,,YFZNSPMAOIVQRP-UHFFFAOYSA-N,,,,,,,,,,,
100.039.104,243-031-7,19398-53-9,"2,4-dibromopentane","2,4-dibromopentane",CC(Br)CC(C)Br,CC(Br)CC(C)Br,"InChI=1/C5H10Br2/c1-4(6)3-5(2)7/h4-5H,3H2,1-2H3",C5H10Br2,,,,,,KUZOHDYKJXNCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.109,243-036-4,19402-71-2,Potassium naphtholate,potassium naphthalen-1-olate,[K+].[O-]c1cccc2ccccc12,[K+].[O-]c1cccc2ccccc12,"InChI=1/C10H8O.K/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11H;/q;+1/p-1",C10H8O.K,,,,,,AKCXVUZCFGJVCX-UHFFFAOYSA-M,,,,,,,,,,,
100.039.111,243-039-0,19406-86-1,3-amino-p-toluamide,3-amino-4-methylbenzamide,Cc1ccc(cc1N)C(=O)N,Cc1ccc(cc1N)C(=O)N,"InChI=1/C8H10N2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)",C8H10N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10821,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.111,VYBKAZXQKUFAHG-UHFFFAOYSA-N,,,,,,,,,,,
100.039.120,243-049-5,19427-36-2,"16a,17-epoxy-11a-hydroxypregn-4-ene-3,20-dione","11-hydroxy-16,17-epoxypregn-4-ene-3,20-dione",CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]23C,CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@H](O)C[C@]23C,"InChI=1/C21H28O4/c1-11(22)21-17(25-21)9-15-14-5-4-12-8-13(23)6-7-19(12,2)18(14)16(24)10-20(15,21)3/h8,14-18,24H,4-7,9-10H2,1-3H3",C21H28O4,,,,,,XPOFTPYDSZJRKX-VOVZHTNUSA-N,,,,,,,,,,,
100.030.753,233-841-9,10380-28-6,Oxine-copper,copper(2+) diquinolin-8-olate,O([Cu]Oc1cccc2cccnc12)c3cccc4cccnc34,O([Cu]Oc1cccc2cccnc12)c3cccc4cccnc34,"InChI=1/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2/rC18H12CuN2O2/c1-5-13-7-3-11-20-17(13)15(9-1)22-19-23-16-10-2-6-14-8-4-12-21-18(14)16/h1-12H",C18H12CuN2O2,,,,,,YXLXNENXOJSQEI-UHFFFAOYSA-L,,,,,,,,,,,
100.030.754,233-842-4,10380-79-7,Propyl (E)-hex-2-enoate,propyl hex-2-enoate,CCCOC(=O)\\C=C\\CCC,CCCOC(=O)\C=C\CCC,"InChI=1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h6-7H,3-5,8H2,1-2H3",C9H16O2,,,,,,YYHOZECIUCTJDJ-VOTSOKGWSA-N,,,,,,,,,,,
100.034.023,237-441-5,13784-61-7,"2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate","3-(decanoyloxy)-2,2-bis[(decanoyloxy)methyl]propyl decanoate (non-preferred name)",CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC,"InChI=1/C45H84O8/c1-5-9-13-17-21-25-29-33-41(46)50-37-45(38-51-42(47)34-30-26-22-18-14-10-6-2,39-52-43(48)35-31-27-23-19-15-11-7-3)40-53-44(49)36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3",C45H84O8,,,,,,MXNODNKXIIQMMI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.025,237-443-6,13786-79-3,"1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene","1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene",C\\C\\1=C\\CCC2(C)OC2CCC(=CCC1)C,C\C\1=C\CCC2(C)OC2CCC(=CCC1)C,"InChI=1/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3",C15H24O,,,,,,PAZWFUGWOAQBJJ-MPFIZWPISA-N,,,,,,,,,,,
100.034.027,237-445-7,13786-90-8,"4,8,12-trimethyl-4,8-cyclododecadien-1-one","4,8,12-trimethylcyclododeca-4,8-dien-1-one",CC1CCC=C(C)CC\\C=C(\\C)/CCC1=O,CC1CCC=C(C)CC\C=C(\C)/CCC1=O,"InChI=1/C15H24O/c1-12-6-4-7-13(2)10-11-15(16)14(3)9-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3",C15H24O,,,,,,RWVATVBAGFDQQL-BDBSPEFASA-N,,,,,,,,,,,
100.034.028,237-446-2,13788-48-2,"3-[3,4-bis(acetoxy)phenyl]acrylic acid","3-(3,4-diacetoxyphenyl)acrylic acid",CC(=O)Oc1ccc(\\C=C\\C(=O)O)cc1OC(=O)C,CC(=O)Oc1ccc(\C=C\C(=O)O)cc1OC(=O)C,"InChI=1/C13H12O6/c1-8(14)18-11-5-3-10(4-6-13(16)17)7-12(11)19-9(2)15/h3-7H,1-2H3,(H,16,17)",C13H12O6,,,,,,ZDIYGBWFISUTHI-GQCTYLIASA-N,,,,,,,,,,,
100.034.033,237-452-5,13796-22-0,"5,6,12,13-tetrahydro-2,9-dimethylquino[2,3-b]acridine-7,14-dione","2,9-dimethyl-5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione",Cc1ccc2NC3=C(CC4=C(C3)C(=O)c5cc(C)ccc5N4)C(=O)c2c1,Cc1ccc2NC3=C(CC4=C(C3)C(=O)c5cc(C)ccc5N4)C(=O)c2c1,"InChI=1/C22H18N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-8H,9-10H2,1-2H3,(H,23,25)(H,24,26)",C22H18N2O2,,,,,,XZDLFPWBCHSYFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.037,237-456-7,13808-64-5,4-bromo-3-methyl-1H-pyrazole,4-bromo-5-methyl-1H-pyrazole,Cc1[nH]ncc1Br,Cc1[nH]ncc1Br,"InChI=1/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)",C4H5BrN2,,,,,,IXQPRETWBGVNPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.400,242-256-8,18375-63-8,N-dodecyl-D-gluconamide,"N-dodecyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C18H37NO6/c1-2-3-4-5-6-7-8-9-10-11-12-19-18(25)17(24)16(23)15(22)14(21)13-20/h14-17,20-24H,2-13H2,1H3,(H,19,25)",C18H37NO6,,,,,,WUTZOLDBWJNAMI-WCXIOVBPSA-N,,,,,,,,,,,
100.038.405,242-262-0,18379-25-4,"Trichloro(2,4,4-trimethylpentyl)silane","trichloro(2,4,4-trimethylpentyl)silane",CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl,CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl,"InChI=1/C8H17Cl3Si/c1-7(5-8(2,3)4)6-12(9,10)11/h7H,5-6H2,1-4H3",C8H17Cl3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11230,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.405,XEPLIPFTDXHUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.413,242-270-4,18390-55-1,Lithium picrate,"lithium 2,4,6-trinitrophenolate",[Li+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Li+].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O7.Li/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;/q;+1/p-1",C6H3N3O7.Li,,,,,,XPSAAFFCAJIBSC-UHFFFAOYSA-M,,,,,,,,,,,
100.038.415,242-273-0,18395-90-9,"Dichlorobis(1,1-dimethylethyl)silane",di-tert-butyl(dichloro)silane,CC(C)(C)[Si](Cl)(Cl)C(C)(C)C,CC(C)(C)[Si](Cl)(Cl)C(C)(C)C,"InChI=1/C8H18Cl2Si/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3",C8H18Cl2Si,,,,,,PDYPRPVKBUOHDH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.419,242-277-2,18400-34-5,"Carbonic acid, bismuth salt",-,[BiH3+3].[O-]C(=O)[O-],[BiH3+3].[O-]C(=O)[O-],"InChI=1/CH2O3.Bi.3H/c2-1(3)4;;;;/h(H2,2,3,4);;;;/q;+3;;;/p-2/rCH2O3.BiH3/c2-1(3)4;/h(H2,2,3,4);1H3/q;+3/p-2",CH2O3.xBi,,,,,,BVSJFJYBCUEMMU-UHFFFAOYSA-L,,,,,,,,,,,
100.038.420,242-278-8,18401-43-9,Bicyclo[2.2.1]hept-5-en-2-yltriethoxysilane,bicyclo[2.2.1]hept-5-en-2-yl(triethoxy)silane,CCO[Si](OCC)(OCC)C1CC2CC1C=C2,CCO[Si](OCC)(OCC)C1CC2CC1C=C2,"InChI=1/C13H24O3Si/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3",C13H24O3Si,,,,,,HHKDWDAAEFGBAC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.426,242-285-6,18406-41-2,"3,3,6,6-tetramethoxy-2,7-dioxa-3,6-disilaoctane","3,3,6,6-tetramethoxy-2,7-dioxa-3,6-disilaoctane",CO[Si](CC[Si](OC)(OC)OC)(OC)OC,CO[Si](CC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C8H22O6Si2/c1-9-15(10-2,11-3)7-8-16(12-4,13-5)14-6/h7-8H2,1-6H3",C8H22O6Si2,,,,,,JCGDCINCKDQXDX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.427,242-286-1,18407-07-3,Dichlorododecylmethylsilane,dichloro(dodecyl)methylsilane,CCCCCCCCCCCC[Si](C)(Cl)Cl,CCCCCCCCCCCC[Si](C)(Cl)Cl,"InChI=1/C13H28Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-16(2,14)15/h3-13H2,1-2H3",C13H28Cl2Si,,,,,,ZAADUWCLWTWDSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.434,242-294-5,18410-94-1,"Endo-3,3-dimethylbicyclo[2.2.1]heptane-2-methanol","(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methanol",CC1(C)C2CCC(C2)C1CO,CC1(C)C2CCC(C2)C1CO,"InChI=1/C10H18O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,GICBKEFIACFATK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.813,261-414-7,58743-75-2,"4'-ethyl[1,1'-biphenyl]-4-carbonitrile",4'-ethylbiphenyl-4-carbonitrile,CCc1ccc(cc1)c2ccc(cc2)C#N,CCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3",C15H13N,,,,,,DLLIPJSMDJCZRF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.814,261-415-2,58743-76-3,"4'-propyl[1,1'-biphenyl]-4-carbonitrile",4'-propylbiphenyl-4-carbonitrile,CCCc1ccc(cc1)c2ccc(cc2)C#N,CCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3",C16H15N,,,,,,XFMPTZWVMVMELB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.821,261-423-6,58763-17-0,"2,4,6-triiodo-3-(methylacetamido)-5-[(methylamino)carbonyl]benzoyl chloride","2,4,6-triiodo-3-(methylcarbamoyl)-5-(propionylamino)benzoyl chloride",CCC(=O)Nc1c(I)c(C(=O)Cl)c(I)c(C(=O)NC)c1I,CCC(=O)Nc1c(I)c(C(=O)Cl)c(I)c(C(=O)NC)c1I,"InChI=1/C12H10ClI3N2O3/c1-3-4(19)18-10-8(15)5(11(13)20)7(14)6(9(10)16)12(21)17-2/h3H2,1-2H3,(H,17,21)(H,18,19)",C12H10ClI3N2O3,,,,,,NUCYJLJWJXZQSN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.826,261-428-3,58763-73-8,Methyl 3-(bromomethyl)-2-benzofurancarboxylate,methyl 3-(bromomethyl)-1-benzofuran-2-carboxylate,COC(=O)c1oc2ccccc2c1CBr,COC(=O)c1oc2ccccc2c1CBr,"InChI=1/C11H9BrO3/c1-14-11(13)10-8(6-12)7-4-2-3-5-9(7)15-10/h2-5H,6H2,1H3",C11H9BrO3,,,,,,DUXQSFDZZHXQGM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.831,261-434-6,58772-18-2,"Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate","bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate",CC(CCOC(=O)c1nc2ccccc2nc1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOC(=O)c1nc2ccccc2nc1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C28H42N2O4/c1-19(17-27(3,4)5)13-15-33-25(31)23-24(30-22-12-10-9-11-21(22)29-23)26(32)34-16-14-20(2)18-28(6,7)8/h9-12,19-20H,13-18H2,1-8H3",C28H42N2O4,,,,,,XDCPLQCYKINKST-UHFFFAOYSA-N,,,,,,,,,,,
100.055.833,261-436-7,58772-83-1,"4,8-dimethylnon-7-enal","4,8-dimethylnon-7-enal",CC(CCC=O)CCC=C(C)C,CC(CCC=O)CCC=C(C)C,"InChI=1/C11H20O/c1-10(2)6-4-7-11(3)8-5-9-12/h6,9,11H,4-5,7-8H2,1-3H3",C11H20O,,,,,,JYZBGRBGMXAFMK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.834,261-437-2,58778-59-9,4-ethyl-4-phenylpiperidine,4-ethyl-4-phenylpiperidine,CCC1(CCNCC1)c2ccccc2,CCC1(CCNCC1)c2ccccc2,"InChI=1/C13H19N/c1-2-13(8-10-14-11-9-13)12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3",C13H19N,,,,,,SJPDOEVOFHWTOI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.844,261-448-2,58798-47-3,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate","2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium acetate",[O-]C(C)=O.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[O-]C(C)=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H23N3O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)",C20H24N3O.C2H3O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12391,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.844,KLGHYJUTJNRXKP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.845,261-449-8,58801-34-6,"Diethyl [R-(R*,R*)]-13,17,18,22-tetramethyl-14,21-dioxo-16,19-dioxa-13,22-diazatetratriacontanedioate","diethyl 13,17,18,22-tetramethyl-14,21-dioxo-16,19-dioxa-13,22-diazatetratriacontane-1,34-dioate",CCOC(=O)CCCCCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC,CCOC(=O)CCCCCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC,"InChI=1/C38H72N2O8/c1-7-45-37(43)27-23-19-15-11-9-13-17-21-25-29-39(5)35(41)31-47-33(3)34(4)48-32-36(42)40(6)30-26-22-18-14-10-12-16-20-24-28-38(44)46-8-2/h33-34H,7-32H2,1-6H3",C38H72N2O8,,,,,,CJAONIOAQZUHPN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.847,261-451-9,58810-48-3,"2-chloro-N-(2,6-dimethylphenyl)-N-(tetrahydro-2-oxo-3-furyl)acetamide","2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide",Cc1cccc(C)c1N(C2CCOC2=O)C(=O)CCl,Cc1cccc(C)c1N(C2CCOC2=O)C(=O)CCl,"InChI=1/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3",C14H16ClNO3,,,,,,OWDLFBLNMPCXSD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.321,260-873-0,57645-05-3,Sermetacin,N-{[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-L-serine,COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)C(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)C(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,"InChI=1/C22H21ClN2O6/c1-12-16(10-20(27)24-18(11-26)22(29)30)17-9-15(31-2)7-8-19(17)25(12)21(28)13-3-5-14(23)6-4-13/h3-9,18,26H,10-11H2,1-2H3,(H,24,27)(H,29,30)",C22H21ClN2O6,,,,,,AUDFHJLSHQWFQQ-SFHVURJKSA-N,,,,,,,,,,,
100.055.335,260-888-2,57665-05-1,Sodium pyridine-2-carboxylate,sodium pyridine-2-carboxylate,[Na+].[O-]C(=O)c1ccccn1,[Na+].[O-]C(=O)c1ccccn1,"InChI=1/C6H5NO2.Na/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);/q;+1/p-1",C6H5NO2.Na,,,,,,RLEBKHAOAHYZHT-UHFFFAOYSA-M,,,,,,,,,,,
100.055.346,260-900-6,57678-05-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl dihydrogen phosphate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl dihydrogen phosphate",OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H6F21O4P/c13-3(14,1-2-37-38(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H2,34,35,36)",C12H6F21O4P,,,,,,MCYKSXMNSXNCIY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.501,266-572-0,67107-72-6,Disodium N-(carboxylatomethyl)-N-[2-[(2-hydroxyethyl)(1-oxododecyl)amino]ethyl]glycinate,"disodium 2,2'-({2-[dodecanoyl(2-hydroxyethyl)amino]ethyl}imino)diacetate",[Na+].[Na+].CCCCCCCCCCCC(=O)N(CCO)CCN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)N(CCO)CCN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C20H38N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(24)22(14-15-23)13-12-21(16-19(25)26)17-20(27)28;;/h23H,2-17H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2",C20H38N2O6.2Na,,,,,,RQRIMOACIZTFCP-UHFFFAOYSA-L,,,,,,,,,,,
100.060.502,266-573-6,67107-75-9,Disodium (Z)-N-(carboxylatomethyl)-N-[2-[(2-hydroxyethyl)(1-oxo-9-octadecenyl)amino]ethyl]glycinate,"disodium 2,2'-({2-[(2-hydroxyethyl)(oleoyl)amino]ethyl}imino)diacetate",[Na+].[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCO)CCN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)N(CCO)CCN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C26H48N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28(20-21-29)19-18-27(22-25(31)32)23-26(33)34;;/h9-10,29H,2-8,11-23H2,1H3,(H,31,32)(H,33,34);;/q;2*+1/p-2",C26H48N2O6.2Na,,,,,,FHRIKCGRMGOMMT-XXAVUKJNSA-L,,,,,,,,,,,
100.060.515,266-587-2,67151-63-7,1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol,1-{bis[3-(dimethylamino)propyl]amino}propan-2-ol,CC(O)CN(CCCN(C)C)CCCN(C)C,CC(O)CN(CCCN(C)C)CCCN(C)C,"InChI=1/C13H31N3O/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5/h13,17H,6-12H2,1-5H3",C13H31N3O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12779,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.515,NWDRKFORNVPWLY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.520,266-593-5,67169-27-1,N-[3-(dimethylamino)-4-methoxyphenyl]acetamide,N-[3-(dimethylamino)-4-methoxyphenyl]acetamide,COc1ccc(NC(=O)C)cc1N(C)C,COc1ccc(NC(=O)C)cc1N(C)C,"InChI=1/C11H16N2O2/c1-8(14)12-9-5-6-11(15-4)10(7-9)13(2)3/h5-7H,1-4H3,(H,12,14)",C11H16N2O2,,,,,,BYTLIWBFWDAYAE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.506,261-076-0,58030-58-3,"[2,3-dichloro-4-(1H-tetrazol-5-ylmethoxy)phenyl] 2-thienyl ketone","[2,3-dichloro-4-(1H-tetrazol-5-ylmethoxy)phenyl](2-thienyl)methanone",Clc1c(OCc2nnn[nH]2)ccc(C(=O)c3cccs3)c1Cl,Clc1c(OCc2nnn[nH]2)ccc(C(=O)c3cccs3)c1Cl,"InChI=1/C13H8Cl2N4O2S/c14-11-7(13(20)9-2-1-5-22-9)3-4-8(12(11)15)21-6-10-16-18-19-17-10/h1-5H,6H2,(H,16,17,18,19)",C13H8Cl2N4O2S,,,,,,BMJHIHGNLQCIRO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.512,261-082-3,58048-39-8,"Ethyl 2-(2,4-dichlorophenoxy)propionate","ethyl 2-(2,4-dichlorophenoxy)propanoate",CCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,CCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C11H12Cl2O3/c1-3-15-11(14)7(2)16-10-5-4-8(12)6-9(10)13/h4-7H,3H2,1-2H3",C11H12Cl2O3,,,,,,ZMLMOOOPSWVIHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.521,261-092-8,58067-54-2,"Tetraethyl 2,2'-[methylenebis(4,1-phenyleneiminocarbonyl)]bismalonate","tetraethyl 2,2'-[methylenebis(4,1-phenylenecarbamoyl)]dimalonate",CCOC(=O)C(C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C(=O)OCC)C(=O)OCC)cc2)cc1)C(=O)OCC,CCOC(=O)C(C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C(=O)OCC)C(=O)OCC)cc2)cc1)C(=O)OCC,"InChI=1/C29H34N2O10/c1-5-38-26(34)22(27(35)39-6-2)24(32)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-25(33)23(28(36)40-7-3)29(37)41-8-4/h9-16,22-23H,5-8,17H2,1-4H3,(H,30,32)(H,31,33)",C29H34N2O10,,,,,,NLFAPZSBRVCHGP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.523,261-094-9,58070-68-1,(4-methoxybutyl)cyclohexane,(4-methoxybutyl)cyclohexane,COCCCCC1CCCCC1,COCCCCC1CCCCC1,"InChI=1/C11H22O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h11H,2-10H2,1H3",C11H22O,,,,,,RJODNIAWMUBVRK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.529,261-102-0,58077-66-0,"4,4'-methylenebis(6-chloro-o-cresol)","4,4'-methylenebis(2-chloro-6-methylphenol)",Cc1cc(Cc2cc(C)c(O)c(Cl)c2)cc(Cl)c1O,Cc1cc(Cc2cc(C)c(O)c(Cl)c2)cc(Cl)c1O,"InChI=1/C15H14Cl2O2/c1-8-3-10(6-12(16)14(8)18)5-11-4-9(2)15(19)13(17)7-11/h3-4,6-7,18-19H,5H2,1-2H3",C15H14Cl2O2,,,,,,BDJIGDUAAKRYNC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.537,261-110-4,58090-15-6,"3-cyclohexyl-5-[4-(3-ethyl-4,5-diphenyloxazol-2(3H)-ylidene)-1-methylbut-2-enylidene]-2-thioxothiazolidin-4-one","3-cyclohexyl-5-[4-(3-ethyl-4,5-diphenyl-1,3-oxazol-2(3H)-ylidene)-1-methylbut-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one",S=C2SC(C(=O)N2C1CCCCC1)=C(C)C=CC=C5O/C(c3ccccc3)=C(/c4ccccc4)N5CC,S=C2SC(C(=O)N2C1CCCCC1)=C(C)C=CC=C5O/C(c3ccccc3)=C(/c4ccccc4)N5CC,"InChI=1/C31H32N2O2S2/c1-3-32-26(35-28(24-17-9-5-10-18-24)27(32)23-15-7-4-8-16-23)21-13-14-22(2)29-30(34)33(31(36)37-29)25-19-11-6-12-20-25/h4-5,7-10,13-18,21,25H,3,6,11-12,19-20H2,1-2H3",C31H32N2O2S2,,,,,,CCVIWMKJHOBSDI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.542,261-116-7,58096-29-0,"[1R-(1a,2ß,3a,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid","2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid",CC1C(CC2CC1C2(C)C)C(=O)O,CC1C(CC2CC1C2(C)C)C(=O)O,"InChI=1/C11H18O2/c1-6-8(10(12)13)4-7-5-9(6)11(7,2)3/h6-9H,4-5H2,1-3H3,(H,12,13)",C11H18O2,,,,,,YCJJWXPLEWSYFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.463,263-229-7,61793-29-1,3-ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate,2-{[3-(ethoxycarbonyl)-1-isobutyl-2-methyl-1H-indol-5-yl]oxy}-2-phenylpropanoic acid,CCOC(=O)c1c(C)n(CC(C)C)c2ccc(OC(C)(C(=O)O)c3ccccc3)cc12,CCOC(=O)c1c(C)n(CC(C)C)c2ccc(OC(C)(C(=O)O)c3ccccc3)cc12,"InChI=1/C25H29NO5/c1-6-30-23(27)22-17(4)26(15-16(2)3)21-13-12-19(14-20(21)22)31-25(5,24(28)29)18-10-8-7-9-11-18/h7-14,16H,6,15H2,1-5H3,(H,28,29)",C25H29NO5,,,,,,PXJDUYLPFXNLEB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.471,263-238-6,61810-56-8,"(Z,E,Z)-trideca-4,7,10-trien-1-yl acetate","trideca-4,7,10-trien-1-yl acetate",CC(=O)OCCCC=CCC=CCC=CCC,CC(=O)OCCCC=CCC=CCC=CCC,"InChI=1/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3",C15H24O2,,,,,,WSXRBDKQLAZFRN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.763,233-852-9,10389-65-8,"N,N'-bis[tert-butoxycarbonyl]-L-cysteine","N,N'-bis(tert-butoxycarbonyl)cystine",CC(C)(C)OC(=O)NC(CSSCC(NC(=O)OC(C)(C)C)C(=O)O)C(=O)O,CC(C)(C)OC(=O)NC(CSSCC(NC(=O)OC(C)(C)C)C(=O)O)C(=O)O,"InChI=1/C16H28N2O8S2/c1-15(2,3)25-13(23)17-9(11(19)20)7-27-28-8-10(12(21)22)18-14(24)26-16(4,5)6/h9-10H,7-8H2,1-6H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)",C16H28N2O8S2,,,,,,MHDQAZHYHAOTKR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.768,233-858-1,10397-30-5,4-methyl-3-nitrobenzoyl chloride,4-methyl-3-nitrobenzoyl chloride,Cc1ccc(cc1[N+](=O)[O-])C(=O)Cl,Cc1ccc(cc1[N+](=O)[O-])C(=O)Cl,"InChI=1/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3",C8H6ClNO3,,,,,,DXMHBBURYDVYAI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.073,265-000-7,64654-05-3,N-(dodecylphenyl)naphthalen-1-amine,N-(2-dodecylphenyl)naphthalen-1-amine,CCCCCCCCCCCCc1ccccc1Nc2cccc3ccccc23,CCCCCCCCCCCCc1ccccc1Nc2cccc3ccccc23,"InChI=1/C28H37N/c1-2-3-4-5-6-7-8-9-10-11-18-25-19-13-15-22-27(25)29-28-23-16-20-24-17-12-14-21-26(24)28/h12-17,19-23,29H,2-11,18H2,1H3",C28H37N,,,,,,JSIRUVGNQVWPSE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.076,265-003-3,64665-56-1,"2-aminoethanol, compound with methyl-1H-benzotriazole (1:1)",2-aminoethanol - 1-methyl-1H-benzotriazole (1:1),Cn1nnc2ccccc12.NCCO,Cn1nnc2ccccc12.NCCO,"InChI=1/C7H7N3.C2H7NO/c1-10-7-5-3-2-4-6(7)8-9-10;3-1-2-4/h2-5H,1H3;4H,1-3H2",C7H7N3.C2H7NO,,,,,,SBXHLFRILSOLGS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.077,265-004-9,64665-57-2,Sodium 4(or 5)-methyl-1H-benzotriazolide,sodium 4-methylbenzotriazol-1-ide,[Na+].Cc1cccc2[n-]nnc12,[Na+].Cc1cccc2[n-]nnc12,"InChI=1/C7H6N3.Na/c1-5-3-2-4-6-7(5)9-10-8-6;/h2-4H,1H3;/q-1;+1",C7H7N3.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10426,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.077,REERYFLJRPUSHT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.078,265-005-4,64667-33-0,"Methyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate","methyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate",COC(=O)CC(C)(C)C(Cl)CC(Cl)(Cl)Cl,COC(=O)CC(C)(C)C(Cl)CC(Cl)(Cl)Cl,"InChI=1/C9H14Cl4O2/c1-8(2,5-7(14)15-3)6(10)4-9(11,12)13/h6H,4-5H2,1-3H3",C9H14Cl4O2,,,,,,POFHGKISWXYKLB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.085,265-013-8,64683-27-8,Bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-octadecenylsuccinate,bis{2-[bis(2-hydroxyethyl)amino]ethyl} 2-octadec-2-en-1-ylsuccinate,O=C(OCCN(CCO)CCO)C(CC(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCC,O=C(OCCN(CCO)CCO)C(CC(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCC,"InChI=1/C34H66N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(34(42)44-30-24-36(21-27-39)22-28-40)31-33(41)43-29-23-35(19-25-37)20-26-38/h16-17,32,37-40H,2-15,18-31H2,1H3",C34H66N2O8,,,,,,JMFYUZLJZPUUKG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.092,265-021-1,64695-78-9,"1,2-dibromo-4,5-difluorobenzene","1,2-dibromo-4,5-difluorobenzene",Fc1cc(Br)c(Br)cc1F,Fc1cc(Br)c(Br)cc1F,InChI=1/C6H2Br2F2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,C6H2Br2F2,,,,,,JTEZQWOKRHOKDG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.097,265-026-9,64704-24-1,"Disodium 2,2'-dithiodiacetate","disodium 2,2'-disulfanediyldiacetate",[Na+].[Na+].[O-]C(=O)CSSCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CSSCC(=O)[O-],"InChI=1/C4H6O4S2.2Na/c5-3(6)1-9-10-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H6O4S2.2Na,,,,,,IJPIWCAJYRZIMH-UHFFFAOYSA-L,,,,,,,,,,,
100.059.102,265-032-1,64716-02-5,Potassium pentadecylbenzenesulphonate,potassium pentakis(decyl)benzenesulfonate,[K+].CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(c(CCCCCCCCCC)c1CCCCCCCCCC)S(=O)(=O)[O-],[K+].CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(c(CCCCCCCCCC)c1CCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C56H106O3S.K/c1-6-11-16-21-26-31-36-41-46-51-52(47-42-37-32-27-22-17-12-7-2)54(49-44-39-34-29-24-19-14-9-4)56(60(57,58)59)55(50-45-40-35-30-25-20-15-10-5)53(51)48-43-38-33-28-23-18-13-8-3;/h6-50H2,1-5H3,(H,57,58,59);/q;+1/p-1",C21H36O3S.K,,,,,,XDKUOEANRJZODG-UHFFFAOYSA-M,,,,,,,,,,,
100.059.104,265-034-2,64722-50-5,Hydrogen 5-methyl-2-[2-[[5-phenyl-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium,"hydrogen 3-[5-methyl-2-(2-{[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate",[H+].[O-]S(=O)(=O)CCC[n+]4c5cc(C)ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCCS([O-])(=O)=O)c3ccccc3,[H+].[O-]S(=O)(=O)CCC[n+]4c5cc(C)ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCCS([O-])(=O)=O)c3ccccc3,"InChI=1/C32H34N2O8S2.H2/c1-3-24(20-31-33(15-7-17-43(35,36)37)27-19-23(2)11-13-29(27)41-31)21-32-34(16-8-18-44(38,39)40)28-22-26(12-14-30(28)42-32)25-9-5-4-6-10-25;/h4-6,9-14,19-22H,3,7-8,15-18H2,1-2H3,(H-,35,36,37,38,39,40);1H/q;+1/p-1",C32H34N2O8S2,,,,,,NFYQVUOVNAWSLM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.774,261-371-4,58636-10-5,Butyltris[(1-oxodocosyl)oxy]stannane,butyl[tris(docosanoyloxy)]stannane,CCCCCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/3C22H44O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3-4-2;/h3*2-21H2,1H3,(H,23,24);1,3-4H2,2H3;/q;;;;+3/p-3/rC70H138O6Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-68(71)74-77(67-12-8-4,75-69(72)65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-10-6-2)76-70(73)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-67H2,1-4H3",C70H138O6Sn,,,,,,VBGJSFNCACJCBQ-UHFFFAOYSA-K,,,,,,,,,,,
100.055.776,261-374-0,58641-29-5,"[1S-(1a,2ß,5a)]-2-(isopropyl)-5-methylcyclohexyl benzoate",2-isopropyl-5-methylcyclohexyl benzoate,CC(C)C1CCC(C)CC1OC(=O)c2ccccc2,CC(C)C1CCC(C)CC1OC(=O)c2ccccc2,"InChI=1/C17H24O2/c1-12(2)15-10-9-13(3)11-16(15)19-17(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3",C17H24O2,,,,,,TTYVYRHNIVBWCB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.872,236-175-7,13207-27-7,2-nonyl-p-cresol,4-methyl-2-nonylphenol,CCCCCCCCCc1cc(C)ccc1O,CCCCCCCCCc1cc(C)ccc1O,"InChI=1/C16H26O/c1-3-4-5-6-7-8-9-10-15-13-14(2)11-12-16(15)17/h11-13,17H,3-10H2,1-2H3",C16H26O,,,,,,OILMLWAZYNVPMG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.375,237-827-3,14014-10-9,Thulium(3+) perchlorate,thulium triperchlorate,[Tm+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Tm+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Tm/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Tm,,,,,,JNNWMYZIHRZEKX-UHFFFAOYSA-K,,,,,,,,,,,
100.034.379,237-832-0,14017-36-8,Cadmium disulphamate,cadmium disulfamate,[Cd+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Cd+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Cd.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",Cd.2H3NO3S,,,,,,XFHMDVKMKRZMIF-UHFFFAOYSA-L,,,,,,,,,,,
100.034.381,237-834-1,14017-41-5,Cobalt(2+) disulphamate,cobalt(2+) disulfamate,[Co+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Co+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Co.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",Co.2H3NO3S,,,,,,WLQXLCXXAPYDIU-UHFFFAOYSA-L,,,,,,,,,,,
100.034.387,237-840-4,14017-55-1,Erbium(3+) perchlorate,erbium triperchlorate,[Er+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Er+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Er/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Er,,,,,,FGBKFKCLWFRKEW-UHFFFAOYSA-K,,,,,,,,,,,
100.034.391,237-845-1,14022-55-0,"3ß-hydroxy-2'-methyl-16ß-5'H-pregn-5-eno[17,16-d]oxazol-20-one","1-(2-hydroxy-4a,6a,8-trimethyl-1,2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethanone",CC(=O)C12N=C(C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC23C,CC(=O)C12N=C(C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC23C,"InChI=1/C23H33NO3/c1-13(25)23-20(27-14(2)24-23)12-19-17-6-5-15-11-16(26)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20,26H,6-12H2,1-4H3",C23H33NO3,,,,,,DZPFGVQQPONIOI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.396,237-850-9,14024-11-4,Lithium tetrachloroaluminate,lithium tetrachloroaluminate(1-),[Li+].Cl[Al-](Cl)(Cl)Cl,[Li+].Cl[Al-](Cl)(Cl)Cl,"InChI=1/Al.4ClH.Li/h;4*1H;/q+3;;;;;+1/p-4/rAlCl4.Li/c2-1(3,4)5;/q-1;+1",AlCl4.Li,,,,,,AQLRWYUVWAYZFO-UHFFFAOYSA-J,,,,,,,,,,,
100.034.399,237-854-0,14024-41-0,Tripotassium hexachloroiridate,-,[K+].[K+].[K+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].[K+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Ir.3K/h6*1H;;;;/q;;;;;;+4;3*+1/p-6/rCl6Ir.3K/c1-7(2,3,4,5)6;;;/q-2;3*+1",Cl6Ir.3K,,,,,,GNFRDIXXKNMANQ-UHFFFAOYSA-H,,,,,,,,,,,
100.034.400,237-855-6,14024-48-7,Cobalt(II) 4-oxopent-2-en-2-olate,cobalt(2+) bis(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Co]OC(=CC(=O)C)C,CC(=O)C=C(C)O[Co]OC(=CC(=O)C)C,"InChI=1/2C5H8O2.Co/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2",C10H14CoO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11154,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.400,UTYYEGLZLFAFDI-UHFFFAOYSA-L,,,,,,,,,,,
100.034.413,237-869-2,14031-86-8,"2,4,4,6,6-pentamethylhept-1-ene","2,4,4,6,6-pentamethylhept-1-ene",CC(=C)CC(C)(C)CC(C)(C)C,CC(=C)CC(C)(C)CC(C)(C)C,"InChI=1/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h1,8-9H2,2-7H3",C12H24,,,,,,NSSBKMKRTGHAAN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.416,237-872-9,14035-95-1,Dimethyl ethylsuccinate,dimethyl 2-ethylsuccinate,CCC(CC(=O)OC)C(=O)OC,CCC(CC(=O)OC)C(=O)OC,"InChI=1/C8H14O4/c1-4-6(8(10)12-3)5-7(9)11-2/h6H,4-5H2,1-3H3",C8H14O4,,,,,,RZZLQHQXWZLBCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.417,237-873-4,14036-06-7,Diethoxymethyl acetate,diethoxymethyl acetate,CCOC(OCC)OC(=O)C,CCOC(OCC)OC(=O)C,"InChI=1/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3",C7H14O4,,,,,,IRUNKQSGDBYUDC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.420,237-877-6,14038-85-8,Disodium tetracyanonickelate(2-),disodium tetrakis(cyano-kappaC)nickelate(2-),[Na+].[Na+].N#C[Ni-2](C#N)(C#N)C#N,[Na+].[Na+].N#C[Ni-2](C#N)(C#N)C#N,"InChI=1/4CN.2Na.Ni/c4*1-2;;;/q;;;;2*+1;-2/rC4N4Ni.2Na/c5-1-9(2-6,3-7)4-8;;/q-2;2*+1",C4N4Ni.2Na,,,,,,XJWQYAZAGSMMFD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.019,241-837-3,17894-99-4,"8-aminonaphthalene-1,3,5-trisulphonic acid","8-aminonaphthalene-1,3,5-trisulfonic acid",Nc1ccc(c2cc(cc(c12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc(c2cc(cc(c12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO9S3/c11-7-1-2-8(22(15,16)17)6-3-5(21(12,13)14)4-9(10(6)7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)",C10H9NO9S3,,,,,,RQVVDWMOCSOAJS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.023,241-842-0,17898-71-4,"(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropane-1,3-diyl diacrylate","(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropane-3,1-diyl bisacrylate",C[Si](C)(CCCOC(=O)C=C)O[Si](C)(C)CCCOC(=O)C=C,C[Si](C)(CCCOC(=O)C=C)O[Si](C)(C)CCCOC(=O)C=C,"InChI=1/C16H30O5Si2/c1-7-15(17)19-11-9-13-22(3,4)21-23(5,6)14-10-12-20-16(18)8-2/h7-8H,1-2,9-14H2,3-6H3",C16H30O5Si2,,,,,,AMZNFNXOVYDPBW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.028,241-847-8,17902-95-3,"1,1,3,5,5-pentamethyl-3-phenyl-1,5-divinyltrisiloxane","1,1,3,5,5-pentamethyl-3-phenyl-1,5-divinyltrisiloxane",C[Si](C)(O[Si](C)(O[Si](C)(C)C=C)c1ccccc1)C=C,C[Si](C)(O[Si](C)(O[Si](C)(C)C=C)c1ccccc1)C=C,"InChI=1/C15H26O2Si3/c1-8-18(3,4)16-20(7,17-19(5,6)9-2)15-13-11-10-12-14-15/h8-14H,1-2H2,3-7H3",C15H26O2Si3,,,,,,VTXMEXQKYKOHEN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.353,260-907-4,57696-94-3,"2-(dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one","2-(dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one",CN(C)C1=C(C)CC(C)(C)CC1=O,CN(C)C1=C(C)CC(C)(C)CC1=O,"InChI=1/C11H19NO/c1-8-6-11(2,3)7-9(13)10(8)12(4)5/h6-7H2,1-5H3",C11H19NO,,,,,,WEDSJFGQPPOZNR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.220,262-961-4,61761-60-2,"1-hexyl-1,2,3,4-tetrahydro-4-methylnaphthalene","1-hexyl-4-methyl-1,2,3,4-tetrahydronaphthalene",CCCCCCC1CCC(C)c2ccccc12,CCCCCCC1CCC(C)c2ccccc12,"InChI=1/C17H26/c1-3-4-5-6-9-15-13-12-14(2)16-10-7-8-11-17(15)16/h7-8,10-11,14-15H,3-6,9,12-13H2,1-2H3",C17H26,,,,,,XCSDINDHUIGPQU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.222,262-964-0,61765-15-9,2-chloro-3-methylbenzothiazolium trifluoromethanesulphonate,"2-chloro-3-methyl-1,3-benzothiazol-3-ium trifluoromethanesulfonate",C[n+]1c(Cl)sc2ccccc12.[O-]S(=O)(=O)C(F)(F)F,C[n+]1c(Cl)sc2ccccc12.[O-]S(=O)(=O)C(F)(F)F,"InChI=1/C8H7ClNS.CHF3O3S/c1-10-6-4-2-3-5-7(6)11-8(10)9;2-1(3,4)8(5,6)7/h2-5H,1H3;(H,5,6,7)/q+1;/p-1",C8H7ClNS.CF3O3S,,,,,,LWYSMSHCTRLEHY-UHFFFAOYSA-M,,,,,,,,,,,
100.057.232,262-975-0,61788-44-1,"Phenol, styrenated","2,4-divinylphenol",Oc1ccc(C=C)cc1C=C,Oc1ccc(C=C)cc1C=C,"InChI=1/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11376,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.232,GZGSEMRMKBBQGA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.877,264-784-8,64339-18-0,"9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium chloride","9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-18-ium chloride",[Cl-].OC(=O)c1ccccc1c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78,[Cl-].OC(=O)c1ccccc1c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78,"InChI=1/C32H30N2O3.ClH/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;/h1-2,9-10,17-18H,3-8,11-16H2;1H",C32H31N2O3.Cl,,,,,,HOBOQJPLKJVCCX-UHFFFAOYSA-M,,,,,,,,,,,
100.061.784,267-982-2,67969-81-7,1-methyl-2-(2-methylpropoxy)ethyl 2-chloropropionate,2-isobutoxy-1-methylethyl 2-chloropropanoate,CC(C)COCC(C)OC(=O)C(C)Cl,CC(C)COCC(C)OC(=O)C(C)Cl,"InChI=1/C10H19ClO3/c1-7(2)5-13-6-8(3)14-10(12)9(4)11/h7-9H,5-6H2,1-4H3",C10H19ClO3,,,,,,KBLCCQZNLNBPCW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.785,267-983-8,67969-82-8,"Hydrogen tetrafluoroborate(1-), compound with ethyl ether (1:1)","hydrogen tetrafluoroborate 1,1'-oxydiethane (1:1)",CCOCC.F[B-](F)(F)F,CCOCC.F[B-](F)(F)F,"InChI=1/C4H10O.BF4/c1-3-5-4-2;2-1(3,4)5/h3-4H2,1-2H3;/q;-1",C4H10O.BF4.H,,,,,,JDQHPOVUCKSJFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.788,267-986-4,67969-85-1,"(Z)-octadec-9-enyl dihydrogen phosphate, compound with 2-(dibutylamino)ethanol",octadec-9-en-1-yl dihydrogen phosphate - 2-(dibutylamino)ethanol (1:1),CCCCN(CCCC)CCO.OP(=O)(O)OCCCCCCCC/C=C\\CCCCCCCC,CCCCN(CCCC)CCO.OP(=O)(O)OCCCCCCCC/C=C\CCCCCCCC,"InChI=1/C18H37O4P.C10H23NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-5-7-11(9-10-12)8-6-4-2/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);12H,3-10H2,1-2H3",C18H37O4P.xC10H23NO,,,,,,QQAUPQIMUBFZHM-KVVVOXFISA-N,,,,,,,,,,,
100.061.789,267-988-5,67969-86-2,"Decyl dihydrogen phosphate, compound with 2-(dibutylamino)ethanol",decyl dihydrogen phosphate - 2-(dibutylamino)ethanol (1:1),CCCCCCCCCCOP(=O)(O)O.CCCCN(CCO)CCCC,CCCCCCCCCCOP(=O)(O)O.CCCCN(CCO)CCCC,"InChI=1/C10H23NO.C10H23O4P/c1-3-5-7-11(9-10-12)8-6-4-2;1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h12H,3-10H2,1-2H3;2-10H2,1H3,(H2,11,12,13)",C10H23NO.xC10H23O4P,,,,,,WADNGFKIDYGUJC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.800,268-000-5,67970-26-7,Sodium 3-(benzoxazol-2-ylthio)propanesulphonate,"sodium 3-(1,3-benzoxazol-2-ylsulfanyl)propane-1-sulfonate",[Na+].[O-]S(=O)(=O)CCCSc1oc2ccccc2n1,[Na+].[O-]S(=O)(=O)CCCSc1oc2ccccc2n1,"InChI=1/C10H11NO4S2.Na/c12-17(13,14)7-3-6-16-10-11-8-4-1-2-5-9(8)15-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1",C10H11NO4S2.Na,,,,,,MRTLCNNQFFRDEN-UHFFFAOYSA-M,,,,,,,,,,,
100.061.823,268-025-1,67990-01-6,5-chloro-2-methylcyclohexanecarboxylic acid,5-chloro-2-methylcyclohexanecarboxylic acid,CC1CCC(Cl)CC1C(=O)O,CC1CCC(Cl)CC1C(=O)O,"InChI=1/C8H13ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)",C8H13ClO2,,,,,,RSDARHRNBUATQI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.289,266-338-8,66375-40-4,4-(phenylazo)-7-sulphonatonaphthalene-1-diazonium,8-diazonio-5-(phenyldiazenyl)naphthalene-2-sulfonate,[O-]S(=O)(=O)c2ccc3c(N=Nc1ccccc1)ccc([N+]#N)c3c2,[O-]S(=O)(=O)c2ccc3c(N=Nc1ccccc1)ccc([N+]#N)c3c2,"InChI=1/C16H10N4O3S/c17-18-15-8-9-16(20-19-11-4-2-1-3-5-11)13-7-6-12(10-14(13)15)24(21,22)23/h1-10H",C16H10N4O3S,,,,,,FKVOUMZTLHPWBA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.290,266-339-3,66396-73-4,"1,1,2,2,3,3,4,4-octafluoro-5-(vinyloxy)pentane","1,1,2,2,3,3,4,4-octafluoro-5-(vinyloxy)pentane",FC(F)C(F)(F)C(F)(F)C(F)(F)COC=C,FC(F)C(F)(F)C(F)(F)C(F)(F)COC=C,"InChI=1/C7H6F8O/c1-2-16-3-5(10,11)7(14,15)6(12,13)4(8)9/h2,4H,1,3H2",C7H6F8O,,,,,,LIXQMBUPLJAAOE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.472,263-239-1,61813-38-5,"Acetanilide, mono(aminomethoxy) derivative",2-(aminomethoxy)-N-phenylacetamide,NCOCC(=O)Nc1ccccc1,NCOCC(=O)Nc1ccccc1,"InChI=1/C9H12N2O2/c10-7-13-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)",C9H12N2O2,,,,,,MWACEKXDVMBCTK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.478,263-245-4,61813-52-3,"Octadecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9-dienoate","octadecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9-dien-1-oate",CCCCCCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/2C22H40O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC52H96O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-57-49(53)41-43-51(55)59-61(47-11-7-3,48-12-8-4)60-52(56)44-42-50(54)58-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h41-44H,5-40,45-48H2,1-4H3",C52H96O8Sn,,,,,,WHWTUCZRUDXTMZ-YPKQJYFLSA-L,,,,,,,,,,,
100.057.489,263-258-5,61827-66-5,N-[4-[[8-(acetylamino)-2-hydroxy-1-naphthyl]azo]-5-hydroxy-2-nitrophenyl]acetamide,N-{4-[(8-acetamido-2-hydroxy-1-naphthyl)diazenyl]-5-hydroxy-2-nitrophenyl}acetamide,Oc3cc(NC(C)=O)c(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)[N+]([O-])=O,Oc3cc(NC(C)=O)c(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)[N+]([O-])=O,"InChI=1/C20H17N5O6/c1-10(26)21-13-5-3-4-12-6-7-17(28)20(19(12)13)24-23-15-8-16(25(30)31)14(9-18(15)29)22-11(2)27/h3-9,28-29H,1-2H3,(H,21,26)(H,22,27)",C20H17N5O6,,,,,,NGDOBUQWZXWXOP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.492,263-261-1,61827-71-2,6-chlorobenzothiazol-2-ylamine hydrochloride,"6-chloro-1,3-benzothiazol-2-amine hydrochloride",Cl.Nc1nc2ccc(Cl)cc2s1,Cl.Nc1nc2ccc(Cl)cc2s1,"InChI=1/C7H5ClN2S.ClH/c8-4-1-2-5-6(3-4)11-7(9)10-5;/h1-3H,(H2,9,10);1H",C7H5ClN2S.ClH,,,,,,ZVRNKXUJEHKKHW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.496,263-265-3,61827-77-8,"7-[(4-aminophenyl)azo]naphthalene-1,3-disulphonic acid","7-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonic acid",OS(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(N)cc1)cc23)S(O)(=O)=O,OS(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(N)cc1)cc23)S(O)(=O)=O,"InChI=1/C16H13N3O6S2/c17-11-2-5-12(6-3-11)18-19-13-4-1-10-7-14(26(20,21)22)9-16(15(10)8-13)27(23,24)25/h1-9H,17H2,(H,20,21,22)(H,23,24,25)",C16H13N3O6S2,,,,,,QSKBOKGWPXTVNO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.497,263-266-9,61832-41-5,N-methyl-1-(methylthio)-2-nitrovinylamine,N-methyl-1-(methylsulfanyl)-2-nitroethenamine,CN\\C(=C\\[N+](=O)[O-])\\SC,CN\C(=C\[N+](=O)[O-])\SC,"InChI=1/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3",C4H8N2O2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6750,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.497,YQFHPXZGXNYYLD-ARJAWSKDSA-N,,,,,,,,,,,
100.056.972,262-689-6,61292-90-8,Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate,ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate,CCOC(=O)CCc1ccc(O)c(OC)c1,CCOC(=O)CCc1ccc(O)c(OC)c1,"InChI=1/C12H16O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4,6,8,13H,3,5,7H2,1-2H3",C12H16O4,,,,,,XFJQZDADXNOFTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.974,262-691-7,61295-50-9,4-[(2-methyl-3-furyl)thio]nonan-5-one,4-[(2-methyl-3-furyl)sulfanyl]nonan-5-one,CCCCC(=O)C(CCC)Sc1ccoc1C,CCCCC(=O)C(CCC)Sc1ccoc1C,"InChI=1/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3",C14H22O2S,,,,,,PEYZZTQOVLTVHN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.977,262-694-3,61295-53-2,4-chlorononan-5-one,4-chlorononan-5-one,CCCCC(=O)C(Cl)CCC,CCCCC(=O)C(Cl)CCC,"InChI=1/C9H17ClO/c1-3-5-7-9(11)8(10)6-4-2/h8H,3-7H2,1-2H3",C9H17ClO,,,,,,CFVIJVUBUBDCKO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.981,262-699-0,61296-22-8,5-bromothiazol-2-amine monohydrobromide,"5-bromo-1,3-thiazol-2-amine hydrobromide",Br.Nc1ncc(Br)s1,Br.Nc1ncc(Br)s1,"InChI=1/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H",C3H3BrN2S.BrH,,,,,,NUSVDASTCPBUIP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.987,262-706-7,61310-53-0,3-ethoxyacrylonitrile,3-ethoxyacrylonitrile,CCO\\C=C\\C#N,CCO\C=C\C#N,"InChI=1/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3",C5H7NO,,,,,,HUPVIAINOSTNBJ-HWKANZROSA-N,,,,,,,,,,,
100.056.989,262-708-8,61318-34-1,2-phthalimidoethyl propionate,"2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl propionate",CCC(=O)OCCN1C(=O)c2ccccc2C1=O,CCC(=O)OCCN1C(=O)c2ccccc2C1=O,"InChI=1/C13H13NO4/c1-2-11(15)18-8-7-14-12(16)9-5-3-4-6-10(9)13(14)17/h3-6H,2,7-8H2,1H3",C13H13NO4,,,,,,XVQDVUVUUYOALV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.993,262-713-5,61336-91-2,3-[(2-furylmethylene)amino]-2-oxoimidazolidine-1-carbonyl chloride,3-[(2-furylmethylene)amino]-2-oxoimidazolidine-1-carbonyl chloride,ClC(=O)N2CCN(N=Cc1ccco1)C2=O,ClC(=O)N2CCN(N=Cc1ccco1)C2=O,"InChI=1/C9H8ClN3O3/c10-8(14)12-3-4-13(9(12)15)11-6-7-2-1-5-16-7/h1-2,5-6H,3-4H2",C9H8ClN3O3,,,,,,ZWXXVWSSKFZMOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.778,261-376-1,58650-45-6,cis-2-pentylcyclopropanecarboxylic acid,2-pentylcyclopropanecarboxylic acid,CCCCCC1CC1C(=O)O,CCCCCC1CC1C(=O)O,"InChI=1/C9H16O2/c1-2-3-4-5-7-6-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)",C9H16O2,,,,,,ZWABCHPDBORTSF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.780,261-378-2,58652-19-0,"17-hydroxy-6-methylene-19-norpregn-4-ene-3,20-dione 17-acetate",17-acetyl-6-methylene-3-oxoestr-4-en-17-yl acetate,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h12,17-18,20-21H,1,5-11H2,2-4H3",C23H30O4,,,,,,YBBDZPBFRFPTJE-YQLZSBIMSA-N,,,,,,,,,,,
100.055.784,261-382-4,58654-67-4,5-methyloctan-2-one,5-methyloctan-2-one,CCCC(C)CCC(=O)C,CCCC(C)CCC(=O)C,"InChI=1/C9H18O/c1-4-5-8(2)6-7-9(3)10/h8H,4-7H2,1-3H3",C9H18O,,,,,,UPVLGOPSYZTLGB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.785,261-384-5,58669-30-0,N-isopropylpyridine-2-methylamine,N-(pyridin-2-ylmethyl)propan-2-amine,CC(C)NCc1ccccn1,CC(C)NCc1ccccn1,"InChI=1/C9H14N2/c1-8(2)11-7-9-5-3-4-6-10-9/h3-6,8,11H,7H2,1-2H3",C9H14N2,,,,,,YDCNZMOBAPTYRB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.790,261-389-2,58683-72-0,"2,4,5-tribromo-a-methylstyrene","1,2,4-tribromo-5-isopropenylbenzene",CC(=C)c1cc(Br)c(Br)cc1Br,CC(=C)c1cc(Br)c(Br)cc1Br,"InChI=1/C9H7Br3/c1-5(2)6-3-8(11)9(12)4-7(6)10/h3-4H,1H2,2H3",C9H7Br3,,,,,,PAUFOHFMOYPVBY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.801,261-401-6,58713-24-9,"1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane maleate","1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane but-2-enedioate",OC(=O)\\C=C/C(=O)O.C1N2CN3CN(CN1C3)C2,OC(=O)\C=C/C(=O)O.C1N2CN3CN(CN1C3)C2,"InChI=1/C6H12N4.C4H4O4/c1-7-2-9-4-8(1)5-10(3-7)6-9;5-3(6)1-2-4(7)8/h1-6H2;1-2H,(H,5,6)(H,7,8)",C6H12N4.xC4H4O4,,,,,,YQDZXFXPCUGZCE-BTJKTKAUSA-N,,,,,,,,,,,
100.055.808,261-408-4,58725-46-5,Sodium N-palmitoyl-L-serinate,sodium 3-hydroxy-2-(palmitoylamino)propanoate,[Na+].CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-],"InChI=1/C19H37NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24;/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24);/q;+1/p-1",C19H37NO4.Na,,,,,,XKMKJRANXQGSEK-LMOVPXPDSA-M,,,,,,,,,,,
100.055.269,260-815-4,57569-40-1,"Bis[2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl] terephthalate",bis[2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl] terephthalate,Cc1cc(Cc2cc(C)cc(c2OC(=O)c3ccc(cc3)C(=O)Oc4c(Cc5cc(C)cc(c5O)C(C)(C)C)cc(C)cc4C(C)(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C,Cc1cc(Cc2cc(C)cc(c2OC(=O)c3ccc(cc3)C(=O)Oc4c(Cc5cc(C)cc(c5O)C(C)(C)C)cc(C)cc4C(C)(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C,"InChI=1/C54H66O6/c1-31-21-37(45(55)41(25-31)51(5,6)7)29-39-23-33(3)27-43(53(11,12)13)47(39)59-49(57)35-17-19-36(20-18-35)50(58)60-48-40(24-34(4)28-44(48)54(14,15)16)30-38-22-32(2)26-42(46(38)56)52(8,9)10/h17-28,55-56H,29-30H2,1-16H3",C54H66O6,,,,,,JWXSMZJIYUUXSV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.279,260-826-4,57582-46-4,Cinnamyl acetoacetate,3-phenylprop-2-en-1-yl 3-oxobutanoate,CC(=O)CC(=O)OC\\C=C\\c1ccccc1,CC(=O)CC(=O)OC\C=C\c1ccccc1,"InChI=1/C13H14O3/c1-11(14)10-13(15)16-9-5-8-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3",C13H14O3,,,,,,BDCAQAAKRKWXFW-VMPITWQZSA-N,,,,,,,,,,,
100.055.294,260-843-7,57602-94-5,(E)-4-decenoic acid,dec-4-enoic acid,CCCCC\\C=C\\CCC(=O)O,CCCCC\C=C\CCC(=O)O,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)",C10H18O2,,,,,,XKZKQTCECFWKBN-VOTSOKGWSA-N,,,,,,,,,,,
100.055.296,260-845-8,57605-30-8,"Benzhydryl [2R-[1(E),2a,3a]]-a-(1-methoxyethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate",diphenylmethyl 3-methoxy-2-(2-{[(4-methylphenyl)sulfonyl]sulfanyl}-4-oxo-3-[(phenoxyacetyl)amino]azetidin-1-yl)but-2-enoate,COC(=C(N1C(SS(=O)(=O)c2ccc(C)cc2)C(NC(=O)COc3ccccc3)C1=O)C(=O)OC(c4ccccc4)c5ccccc5)C,COC(=C(N1C(SS(=O)(=O)c2ccc(C)cc2)C(NC(=O)COc3ccccc3)C1=O)C(=O)OC(c4ccccc4)c5ccccc5)C,"InChI=1/C36H34N2O8S2/c1-24-19-21-29(22-20-24)48(42,43)47-35-31(37-30(39)23-45-28-17-11-6-12-18-28)34(40)38(35)32(25(2)44-3)36(41)46-33(26-13-7-4-8-14-26)27-15-9-5-10-16-27/h4-22,31,33,35H,23H2,1-3H3,(H,37,39)",C36H34N2O8S2,,,,,,NYBNBJUAHGUHSR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.299,260-848-4,57609-72-0,"4-[2-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]vinyl]-N,N-diethylaniline","4-(2-{5-[4-(diethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}vinyl)-N,N-diethylaniline",CCN(CC)c1ccc(\\C=C\\C2=NN(C(C2)c3ccc(cc3)N(CC)CC)c4ccccc4)cc1,CCN(CC)c1ccc(\C=C\C2=NN(C(C2)c3ccc(cc3)N(CC)CC)c4ccccc4)cc1,"InChI=1/C31H38N4/c1-5-33(6-2)28-20-15-25(16-21-28)14-19-27-24-31(35(32-27)30-12-10-9-11-13-30)26-17-22-29(23-18-26)34(7-3)8-4/h9-23,31H,5-8,24H2,1-4H3",C31H38N4,,,,,,BZKRKPGZABEOSM-XMHGGMMESA-N,,,,,,,,,,,
100.055.301,260-851-0,57616-74-7,4-(3-chloropropyl)morpholinium chloride,4-(3-chloropropyl)morpholin-4-ium chloride,[Cl-].ClCCC[NH+]1CCOCC1,[Cl-].ClCCC[NH+]1CCOCC1,InChI=1/C7H14ClNO.ClH/c8-2-1-3-9-4-6-10-7-5-9;/h1-7H2;1H,C7H14ClNO.ClH,,,,,,PQECODMSWJOUAT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.031,241-850-4,17906-69-3,Diacetoxydipropoxysilane,diacetyl dipropyl orthosilicate,CCCO[Si](OCCC)(OC(=O)C)OC(=O)C,CCCO[Si](OCCC)(OC(=O)C)OC(=O)C,"InChI=1/C10H20O6Si/c1-5-7-13-17(14-8-6-2,15-9(3)11)16-10(4)12/h5-8H2,1-4H3",C10H20O6Si,,,,,,NXDNKXIRKGNOMN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.033,241-853-0,17907-97-0,Tris(pentyloxy)silane,tris(pentyloxy)silane,CCCCCO[SiH](OCCCCC)OCCCCC,CCCCCO[SiH](OCCCCC)OCCCCC,"InChI=1/C15H34O3Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h19H,4-15H2,1-3H3",C15H34O3Si,,,,,,XJXSSNSCWGKDOW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.039,241-859-3,17916-30-2,3ß-hydroxypregn-5-en-20-one oxime 3-acetate,20-(hydroxyimino)pregn-5-en-3-yl acetate,CC(=O)O[C@@H]3C\\C4=C\\C[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@H]1C(C)=NO)[C@@]4(C)CC3,CC(=O)O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@H]1C(C)=NO)[C@@]4(C)CC3,"InChI=1/C23H35NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21,26H,6-13H2,1-4H3",C23H35NO3,,,,,,DGKAJFBWCOTIQA-RJJCNJEVSA-N,,,,,,,,,,,
100.038.040,241-860-9,17916-88-0,N-acetyl-D-valine,N-acetyl-D-valine,CC(C)[C@@H](NC(=O)C)C(=O)O,CC(C)[C@@H](NC(=O)C)C(=O)O,"InChI=1/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)",C7H13NO3,,,,,,IHYJTAOFMMMOPX-ZCFIWIBFSA-N,,,,,,,,,,,
100.038.041,241-861-4,17918-11-5,a-phenylaziridine-1-ethanol,2-aziridin-1-yl-1-phenylethanol,OC(CN1CC1)c2ccccc2,OC(CN1CC1)c2ccccc2,"InChI=1/C10H13NO/c12-10(8-11-6-7-11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2",C10H13NO,,,,,,LYWIFGDFJLWXHK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.043,241-864-0,17924-92-4,"[S-(E)]-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione","14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione",C[C@H]1CCCC(=O)CCC\\C=C\\c2cc(O)cc(O)c2C(=O)O1,C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1,"InChI=1/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3",C18H22O5,,,,,,MBMQEIFVQACCCH-QBODLPLBSA-N,,,,,,,,,,,
100.038.050,241-871-9,17937-03-0,"3,4-dihydro-2,2,4-trimethyl2H-1-benzopyran","2,2,4-trimethylchromane",CC1CC(C)(C)Oc2ccccc12,CC1CC(C)(C)Oc2ccccc12,"InChI=1/C12H16O/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-7,9H,8H2,1-3H3",C12H16O,,,,,,RZWKXCCZVCZJOU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.057,241-879-2,17952-83-9,"6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one","6-chloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one",Clc1ccc2[nH]c3C(=O)NCCc3c2c1,Clc1ccc2[nH]c3C(=O)NCCc3c2c1,"InChI=1/C11H9ClN2O/c12-6-1-2-9-8(5-6)7-3-4-13-11(15)10(7)14-9/h1-2,5,14H,3-4H2,(H,13,15)",C11H9ClN2O,,,,,,LEAGCIWJKRFYRT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.058,241-880-8,17952-87-3,"2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-one","6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one",COc1ccc2[nH]c3C(=O)NCCc3c2c1,COc1ccc2[nH]c3C(=O)NCCc3c2c1,"InChI=1/C12H12N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)",C12H12N2O2,,,,,,PWARHDUWOJUADN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.061,241-883-4,17958-73-5,"Disodium 4,4'-bis[[4-anilino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].OCCNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCCO)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].OCCNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCCO)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C36H36N12O8S2.2Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2",C36H36N12O8S2.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12321,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.061,HIMNALZNLAOESZ-YHPRVSEPSA-L,,,,,,,,,,,
100.034.052,237-472-4,13813-43-9,Thulium triiodide,thulium triiodide,[I-].[I-].[I-].[Tm+3],[I-].[I-].[I-].[Tm+3],InChI=1/3HI.Tm/h3*1H;/q;;;+3/p-3,I3Tm,,,,,,LZOMHYVAEHYDST-UHFFFAOYSA-K,,,,,,,,,,,
100.034.060,237-481-3,13814-62-5,Cadmium selenate,cadmium selenate,[Cd+2].[O-][Se](=O)(=O)[O-],[Cd+2].[O-][Se](=O)(=O)[O-],"InChI=1/Cd.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Cd.H2O4Se,,,,,,VTFKXHQTGNWIJW-UHFFFAOYSA-L,,,,,,,,,,,
100.034.063,237-485-5,13814-93-2,Calcium tetrafluoroborate(1-),calcium ditetrafluoroborate,[Ca+2].F[B-](F)(F)F.F[B-](F)(F)F,[Ca+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Ca/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Ca,,,,,,YHLNCCJTKRTQEG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.064,237-486-0,13814-96-5,Lead bis(tetrafluoroborate),-,[Pb+2].F[B-](F)(F)F.F[B-](F)(F)F,[Pb+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Pb.2H/c2*2-1(3,4)5;;;/q2*-1;+4;;/r2BF4.H2Pb/c2*2-1(3,4)5;/h;;1H2/q2*-1;+4",BF4.1/2Pb,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5255,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.064,UQGXAENNKXXYNF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.065,237-487-6,13814-97-6,Tin bis(tetrafluoroborate),-,[Sn+4].F[B-](F)(F)F.F[B-](F)(F)F,[Sn+4].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Sn/c2*2-1(3,4)5;/q2*-1;+4",BF4.1/2Sn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12635,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.065,UVSNMFIOWOZWCS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.076,237-499-1,13820-41-2,Diammonium tetrachloroplatinate,diammonium tetrachloroplatinate(2-),[NH4+].[NH4+].Cl[Pt-2](Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Pt-2](Cl)(Cl)Cl,InChI=1/4ClH.2H3N.Pt/h4*1H;2*1H3;/q;;;;;;+4/p-2,Cl4Pt.2H4N,,,,,,QJIMNDWDOXTTBR-UHFFFAOYSA-L,,,,,,,,,,,
100.060.293,266-343-5,66407-58-7,"Isopropylidenedicyclohexane-4,1-diylbis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl] carbonate","[4-(1-{4-[(carboxyoxy)(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl]cyclohexyl}-1-methylethyl)cyclohexyl](3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl carbonate",CCC1(COC2(CC(C)(C)NC(C)(C)C2)OC1)C(OC(=O)O)C3CCC(CC3)C(C)(C)C4CCC(CC4)C(OC(=O)[O-])C5(CC)COC6(CC(C)(C)NC(C)(C)C6)OC5,CCC1(COC2(CC(C)(C)NC(C)(C)C2)OC1)C(OC(=O)O)C3CCC(CC3)C(C)(C)C4CCC(CC4)C(OC(=O)[O-])C5(CC)COC6(CC(C)(C)NC(C)(C)C6)OC5,"InChI=1/C47H82N2O10/c1-13-44(27-54-46(55-28-44)23-39(3,4)48-40(5,6)24-46)35(58-37(50)51)31-15-19-33(20-16-31)43(11,12)34-21-17-32(18-22-34)36(59-38(52)53)45(14-2)29-56-47(57-30-45)25-41(7,8)49-42(9,10)26-47/h31-36,48-49H,13-30H2,1-12H3,(H,50,51)(H,52,53)/p-1",C47H82N2O10,,,,,,RIWIZVPBRWHTDZ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.308,266-359-2,66424-91-7,Alpha-chloro-5-methyl-2-nitrotoluene,2-(chloromethyl)-4-methyl-1-nitrobenzene,Cc1ccc(c(CCl)c1)[N+](=O)[O-],Cc1ccc(c(CCl)c1)[N+](=O)[O-],"InChI=1/C8H8ClNO2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,5H2,1H3",C8H8ClNO2,,,,,,BWPZDLVOJNBEKI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.312,266-363-4,66447-31-2,(S)-2-amino-4-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)valeramide,N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-leucinamide,CC(C)C[C@H](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C,CC(C)C[C@H](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C16H20N2O3/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20)",C16H20N2O3,,,,,,GTAAIHRZANUVJS-ZDUSSCGKSA-N,,,,,,,,,,,
100.060.315,266-367-6,66455-17-2,"Alcohols, C9-11",decan-1-ol,CCCCCCCCCCO,CCCCCCCCCCO,"InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11654,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.315,MWKFXSUHUHTGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.321,266-373-9,66470-91-5,2-hydroxypropyl carbazate,2-hydroxypropyl hydrazinecarboxylate,CC(O)COC(=O)NN,CC(O)COC(=O)NN,"InChI=1/C4H10N2O3/c1-3(7)2-9-4(8)6-5/h3,7H,2,5H2,1H3,(H,6,8)",C4H10N2O3,,,,,,WBFZHJXKTITYLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.324,266-377-0,66473-10-7,"5-heptyl-1,3,4-oxadiazole-2(3H)-thione","5-heptyl-1,3,4-oxadiazole-2(3H)-thione",CCCCCCCC1=NNC(=S)O1,CCCCCCCC1=NNC(=S)O1,"InChI=1/C9H16N2OS/c1-2-3-4-5-6-7-8-10-11-9(13)12-8/h2-7H2,1H3,(H,11,13)",C9H16N2OS,,,,,,XDBMHZSJUYNNQP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.327,266-380-7,66492-51-1,"(5-ethyl-1,3-dioxan-5-yl)methyl acrylate","(5-ethyl-1,3-dioxan-5-yl)methyl acrylate",CCC1(COC(=O)C=C)COCOC1,CCC1(COC(=O)C=C)COCOC1,"InChI=1/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3",C10H16O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5307,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.327,STGXUBIZGYMIRM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.358,260-913-7,57712-94-4,1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-N-tridecylnaphthalen-2-amine,1-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)-N-tridecylnaphthalen-2-amine,Cc4ccccc4N=Nc3ccc(N=Nc1c2ccccc2ccc1NCCCCCCCCCCCCC)c(C)c3,Cc4ccccc4N=Nc3ccc(N=Nc1c2ccccc2ccc1NCCCCCCCCCCCCC)c(C)c3,"InChI=1/C37H47N5/c1-4-5-6-7-8-9-10-11-12-13-18-27-38-36-25-23-31-20-15-16-21-33(31)37(36)42-41-35-26-24-32(28-30(35)3)39-40-34-22-17-14-19-29(34)2/h14-17,19-26,28,38H,4-13,18,27H2,1-3H3",C37H47N5,,,,,,QAGZJRBUGVRFNF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.359,260-914-2,57716-77-5,"5,5-dimethoxypent-2-ene","5,5-dimethoxypent-2-ene",CC=CCC(OC)OC,CC=CCC(OC)OC,"InChI=1/C7H14O2/c1-4-5-6-7(8-2)9-3/h4-5,7H,6H2,1-3H3",C7H14O2,,,,,,HVRTZYMKKYFPTO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.365,260-921-0,57734-47-1,"5-(aminosulphonyl)-2,3-dimethoxybenzoyl chloride","2,3-dimethoxy-5-sulfamoylbenzoyl chloride",COc1cc(cc(C(=O)Cl)c1OC)S(=O)(=O)N,COc1cc(cc(C(=O)Cl)c1OC)S(=O)(=O)N,"InChI=1/C9H10ClNO5S/c1-15-7-4-5(17(11,13)14)3-6(9(10)12)8(7)16-2/h3-4H,1-2H3,(H2,11,13,14)",C9H10ClNO5S,,,,,,TZOCBFJIISELCS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.368,260-924-7,57741-46-5,"4,7,10,13-tetraoxahexadecanedinitrile","4,7,10,13-tetraoxahexadecane-1,16-dinitrile",N#CCCOCCOCCOCCOCCC#N,N#CCCOCCOCCOCCOCCC#N,"InChI=1/C12H20N2O4/c13-3-1-5-15-7-9-17-11-12-18-10-8-16-6-2-4-14/h1-2,5-12H2",C12H20N2O4,,,,,,KCHBZKXCYRHBDY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.369,260-925-2,57741-47-6,Sodium 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-{[4-chloro-2-(trifluoromethyl)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].Clc3cc(c(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)cc3)C(F)(F)F,[Na+].Clc3cc(c(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)cc3)C(F)(F)F,"InChI=1/C17H11ClF3N3O4S.Na/c18-9-2-4-13(11(6-9)17(19,20)21)23-24-16-12(22)3-1-8-5-10(29(26,27)28)7-14(25)15(8)16;/h1-7,25H,22H2,(H,26,27,28);/q;+1/p-1",C17H11ClF3N3O4S.Na,,,,,,GVLHHJPRNMDLLL-UHFFFAOYSA-M,,,,,,,,,,,
100.057.000,262-720-3,61339-40-0,"9,17-dibromo-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","9,17-dibromo-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)COC(=O)C,"InChI=1/C24H30Br2O5/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)24(17,26)19(29)11-22(18,4)23(13,25)20(30)12-31-14(2)27/h7-8,10,13,17-19,29H,5-6,9,11-12H2,1-4H3",C24H30Br2O5,,,,,,ONLDLCRQNRBPRP-RPRRAYFGSA-N,,,,,,,,,,,
100.057.012,262-733-4,61361-83-9,"2,2-bis(hydroxymethyl)-1,3-propanediyl didecanoate","2,2-bis(hydroxymethyl)propane-1,3-diyl didecanoate",CCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCC,"InChI=1/C25H48O6/c1-3-5-7-9-11-13-15-17-23(28)30-21-25(19-26,20-27)22-31-24(29)18-16-14-12-10-8-6-4-2/h26-27H,3-22H2,1-2H3",C25H48O6,,,,,,IFHCVUJSBCYBGF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.995,262-715-6,61339-35-3,"17-bromo-9-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","17-bromo-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)COC(=O)C,"InChI=1/C24H30BrFO5/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)24(17,26)19(29)11-22(18,4)23(13,25)20(30)12-31-14(2)27/h7-8,10,13,17-19,29H,5-6,9,11-12H2,1-4H3",C24H30BrFO5,,,,,,WZVHJVJHMIMYHS-RPRRAYFGSA-N,,,,,,,,,,,
100.056.998,262-718-2,61339-38-6,"17-bromo-6ß,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","17-bromo-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)COC(=O)C,"InChI=1/C24H29BrF2O5/c1-12-7-15-16-9-18(26)17-8-14(29)5-6-21(17,3)24(16,27)19(30)10-22(15,4)23(12,25)20(31)11-32-13(2)28/h5-6,8,12,15-16,18-19,30H,7,9-11H2,1-4H3",C24H29BrF2O5,,,,,,XHSXHDWPLGGYKW-VRCYOTQUSA-N,,,,,,,,,,,
100.058.625,264-507-0,63834-90-2,"4-[(6-chloro-1,3-dihydro-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[2-(6-chloro-1,3-diphenyl-1,3-dihydro-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",C/C7=N/N(c1ccccc1)C(=O)C7=CC=C3N(c2nc5ccc(Cl)cc5nc2N3c4ccccc4)c6ccccc6,C/C7=N/N(c1ccccc1)C(=O)C7=CC=C3N(c2nc5ccc(Cl)cc5nc2N3c4ccccc4)c6ccccc6,"InChI=1/C33H23ClN6O/c1-22-27(33(41)40(37-22)26-15-9-4-10-16-26)18-20-30-38(24-11-5-2-6-12-24)31-32(39(30)25-13-7-3-8-14-25)36-29-21-23(34)17-19-28(29)35-31/h2-21H,1H3",C33H23ClN6O,,,,,,WQQIRVDPRMDMIL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.628,264-510-7,63837-11-6,5-bromo-2-methylbenzothiazole,"5-bromo-2-methyl-1,3-benzothiazole",Cc1nc2cc(Br)ccc2s1,Cc1nc2cc(Br)ccc2s1,"InChI=1/C8H6BrNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3",C8H6BrNS,,,,,,OLQKNZNXLBILDD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.632,264-514-9,63854-31-9,1-[2-(trifluoromethyl)phenyl]piperazine,1-[2-(trifluoromethyl)phenyl]piperazine,FC(F)(F)c1ccccc1N2CCNCC2,FC(F)(F)c1ccccc1N2CCNCC2,"InChI=1/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16/h1-4,15H,5-8H2",C11H13F3N2,,,,,,VZUBMIDXJRGARE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.541,266-615-3,67240-89-5,N-(2-chloroethyl)-4-fluoro-a-(4-fluorophenyl)benzylamine hydrochloride,N-[bis(4-fluorophenyl)methyl]-2-chloroethanamine hydrochloride,Cl.Fc1ccc(cc1)C(NCCCl)c2ccc(F)cc2,Cl.Fc1ccc(cc1)C(NCCCl)c2ccc(F)cc2,"InChI=1/C15H14ClF2N.ClH/c16-9-10-19-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12;/h1-8,15,19H,9-10H2;1H",C15H14ClF2N.ClH,,,,,,ONOVBJIUJFBSCI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.548,266-623-7,67252-64-6,"Oxybis(methylethane-1,2-diyl) 3-amino-2-butenoate","oxydipropane-2,1,2-triyl tetrakis(3-aminobut-2-enoate)",O=C(OC(C)(COC(=O)C=C(C)N)OC(C)(OC(=O)C=C(C)N)COC(=O)C=C(C)N)C=C(C)N,O=C(OC(C)(COC(=O)C=C(C)N)OC(C)(OC(=O)C=C(C)N)COC(=O)C=C(C)N)C=C(C)N,"InChI=1/C22H34N4O9/c1-13(23)7-17(27)31-11-21(5,33-19(29)9-15(3)25)35-22(6,34-20(30)10-16(4)26)12-32-18(28)8-14(2)24/h7-10H,11-12,23-26H2,1-6H3",C14H24N2O5,,,,,,ZOMDCOMLHPVMGT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.555,266-631-0,67284-56-4,"trans-4'-cyano[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate",4'-cyanobiphenyl-4-yl 4-ethylcyclohexanecarboxylate,CCC1CCC(CC1)C(=O)Oc2ccc(cc2)c3ccc(cc3)C#N,CCC1CCC(CC1)C(=O)Oc2ccc(cc2)c3ccc(cc3)C#N,"InChI=1/C22H23NO2/c1-2-16-3-9-20(10-4-16)22(24)25-21-13-11-19(12-14-21)18-7-5-17(15-23)6-8-18/h5-8,11-14,16,20H,2-4,9-10H2,1H3",C22H23NO2,,,,,,OYZITXKNUGHHKV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.560,266-636-8,67304-14-7,5-isopropylidene-2-methyl-2-vinyltetrahydrofuran,5-isopropylidene-2-methyl-2-vinyltetrahydrofuran,CC(=C1CCC(C)(O1)C=C)C,CC(=C1CCC(C)(O1)C=C)C,"InChI=1/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5H,1,6-7H2,2-4H3",C10H16O,,,,,,WQPNOBILTLSAAX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.568,266-645-7,67329-16-2,"4-hydroxy-3,5-dinitrobenzenesulphonic acid","4-hydroxy-3,5-dinitrobenzenesulfonic acid",Oc1c(cc(cc1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-],Oc1c(cc(cc1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C6H4N2O8S/c9-6-4(7(10)11)1-3(17(14,15)16)2-5(6)8(12)13/h1-2,9H,(H,14,15,16)",C6H4N2O8S,,,,,,ITLQEAMJQIBMBN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.551,261-126-1,58104-46-4,"2,2'-[[3-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({3-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}imino)diethanol",Clc2cc(ccc2N=Nc1ccc(cc1Cl)[N+]([O-])=O)N(CCO)CCO,Clc2cc(ccc2N=Nc1ccc(cc1Cl)[N+]([O-])=O)N(CCO)CCO,"InChI=1/C16H16Cl2N4O4/c17-13-9-11(21(5-7-23)6-8-24)1-3-15(13)19-20-16-4-2-12(22(25)26)10-14(16)18/h1-4,9-10,23-24H,5-8H2",C16H16Cl2N4O4,,,,,,BUXMFCOMCSLYMY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.553,261-128-2,58104-55-5,6-hydroxy-N-(2-hydroxyethyl)-N-methyl-5-[[4-(phenylazo)phenyl]azo]naphthalene-2-sulphonamide,6-hydroxy-N-(2-hydroxyethyl)-N-methyl-5-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-2-sulfonamide,OCCN(C)S(=O)(=O)c3cc4ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c4cc3,OCCN(C)S(=O)(=O)c3cc4ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c4cc3,"InChI=1/C25H23N5O4S/c1-30(15-16-31)35(33,34)22-12-13-23-18(17-22)7-14-24(32)25(23)29-28-21-10-8-20(9-11-21)27-26-19-5-3-2-4-6-19/h2-14,17,31-32H,15-16H2,1H3",C25H23N5O4S,,,,,,JHXOIDWDLSOQJD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.554,261-129-8,58105-49-0,Allyl 2-ethylhexanoate,allyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCC=C,CCCCC(CC)C(=O)OCC=C,"InChI=1/C11H20O2/c1-4-7-8-10(6-3)11(12)13-9-5-2/h5,10H,2,4,6-9H2,1,3H3",C11H20O2,,,,,,ZEDLAAYLXASWJO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.302,260-852-6,57618-22-1,Calcium bis[(S)-2-hydroxy-3-methylbutyrate],calcium bis(2-hydroxy-3-methylbutanoate),[Ca+2].CC(C)[C@H](O)C(=O)[O-].CC(C)[C@H](O)C(=O)[O-],[Ca+2].CC(C)[C@H](O)C(=O)[O-].CC(C)[C@H](O)C(=O)[O-],"InChI=1/2C5H10O3.Ca/c2*1-3(2)4(6)5(7)8;/h2*3-4,6H,1-2H3,(H,7,8);/q;;+2/p-2",C5H10O3.1/2Ca,,,,,,CLWNJPHDLVMMEU-SCGRZTRASA-L,,,,,,,,,,,
100.055.307,260-857-3,57631-15-9,L-arginine monothiazolidine-4-carboxylate,"1,3-thiazolidine-4-carboxylic acid - L-arginine (1:1)",N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C1CSCN1,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C1CSCN1,"InChI=1/C6H14N4O2.C4H7NO2S/c7-4(5(11)12)2-1-3-10-6(8)9;6-4(7)3-1-8-2-5-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3,5H,1-2H2,(H,6,7)",C6H14N4O2.C4H7NO2S,,,,,,JEOQACOXAOEPLX-WCCKRBBISA-N,,,,,,,,,,,
100.055.308,260-858-9,57632-65-2,"(±)-N,N-dibutyl-5-oxopyrrolidine-2-carboxamide","N,N-dibutyl-5-oxoprolinamide",CCCCN(CCCC)C(=O)C1CCC(=O)N1,CCCCN(CCCC)C(=O)C1CCC(=O)N1,"InChI=1/C13H24N2O2/c1-3-5-9-15(10-6-4-2)13(17)11-7-8-12(16)14-11/h11H,3-10H2,1-2H3,(H,14,16)",C13H24N2O2,,,,,,NDGMGZDZOXTYQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.309,260-859-4,57632-66-3,"(±)-1-benzoyl-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide","1-benzoyl-5-oxo-N,N-dipropylprolinamide",CCCN(CCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CCCN(CCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C18H24N2O3/c1-3-12-19(13-4-2)18(23)15-10-11-16(21)20(15)17(22)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3",C18H24N2O3,,,,,,VLJYURHJBDTROS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.163,262-899-8,61692-76-0,Isopropyl 2-methylisocrotonate,isopropyl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OC(C)C,C\C=C(\C)/C(=O)OC(C)C,"InChI=1/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3",C8H14O2,,,,,,VUPBIVVRPJDWNW-ALCCZGGFSA-N,,,,,,,,,,,
100.057.165,262-901-7,61692-78-2,2-methylallyl 2-methylisocrotonate,2-methylprop-2-en-1-yl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OCC(=C)C,C\C=C(\C)/C(=O)OCC(=C)C,"InChI=1/C9H14O2/c1-5-8(4)9(10)11-6-7(2)3/h5H,2,6H2,1,3-4H3",C9H14O2,,,,,,PNRCWIZNCBKLMH-YVMONPNESA-N,,,,,,,,,,,
100.057.169,262-905-9,61692-82-8,2-methylallyl 2-methylcrotonate,2-methylprop-2-en-1-yl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCC(=C)C,C\C=C(/C)\C(=O)OCC(=C)C,"InChI=1/C9H14O2/c1-5-8(4)9(10)11-6-7(2)3/h5H,2,6H2,1,3-4H3",C9H14O2,,,,,,PNRCWIZNCBKLMH-VMPITWQZSA-N,,,,,,,,,,,
100.057.174,262-911-1,61698-32-6,"4,5-bis(hydroxymethyl)-2-phenyl-1H-imidazole","(2-phenyl-1H-imidazole-4,5-diyl)dimethanol",OCc1nc([nH]c1CO)c2ccccc2,OCc1nc([nH]c1CO)c2ccccc2,"InChI=1/C11H12N2O2/c14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13)",C11H12N2O2,,,,,,UUQQGGWZVKUCBD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.176,262-913-2,61702-42-9,"Sodium hydrogen 3-amino-5-hydroxynaphthalene-2,7-disulphonate","sodium hydrogen 3-amino-5-hydroxynaphthalene-2,7-disulfonate",[Na+].Nc1cc2c(O)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc2c(O)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.Na/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H9NO7S2.Na,,,,,,IYLBHLMEOLOIOH-UHFFFAOYSA-L,,,,,,,,,,,
100.057.179,262-916-9,61702-45-2,Sodium 2-hydroxy-9H-carbazole-3-carboxylate,sodium 2-hydroxy-9H-carbazole-3-carboxylate,[Na+].Oc1cc2[nH]c3ccccc3c2cc1C(=O)[O-],[Na+].Oc1cc2[nH]c3ccccc3c2cc1C(=O)[O-],"InChI=1/C13H9NO3.Na/c15-12-6-11-8(5-9(12)13(16)17)7-3-1-2-4-10(7)14-11;/h1-6,14-15H,(H,16,17);/q;+1/p-1",C13H9NO3.Na,,,,,,QNOFFQTXNHLBPF-UHFFFAOYSA-M,,,,,,,,,,,
100.057.180,262-917-4,61702-47-4,2-hydroxy-5-nitro-4-sulphonaphthalene-1-diazonium,2-hydroxy-5-nitro-4-sulfonaphthalene-1-diazonium,Oc1cc(c2c(cccc2c1[N+]#N)[N+](=O)[O-])S(=O)(=O)O,Oc1cc(c2c(cccc2c1[N+]#N)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C10H5N3O6S/c11-12-10-5-2-1-3-6(13(15)16)9(5)8(4-7(10)14)20(17,18)19/h1-4H,(H-,14,17,18,19)/p+1",C10H6N3O6S,,,,,,JCMUJGIQVVVVGD-UHFFFAOYSA-O,,,,,,,,,,,
100.057.181,262-919-5,61702-53-2,"Didecyl hydrogen phosphate, compound with morpholine (1:1)",didecyl hydrogen phosphate - morpholine (1:1),CCCCCCCCCCOP(=O)(O)OCCCCCCCCCC.C1COCCN1,CCCCCCCCCCOP(=O)(O)OCCCCCCCCCC.C1COCCN1,"InChI=1/C20H43O4P.C4H9NO/c1-3-5-7-9-11-13-15-17-19-23-25(21,22)24-20-18-16-14-12-10-8-6-4-2;1-3-6-4-2-5-1/h3-20H2,1-2H3,(H,21,22);5H,1-4H2",C20H43O4P.C4H9NO,,,,,,DACVRKXPQVNABS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.190,262-928-4,61702-92-9,Ammonium dipentylnaphthalenesulphonate,"ammonium 2,3-dipentylnaphthalene-1-sulfonate",[NH4+].CCCCCc1cc2ccccc2c(c1CCCCC)S(=O)(=O)[O-],[NH4+].CCCCCc1cc2ccccc2c(c1CCCCC)S(=O)(=O)[O-],"InChI=1/C20H28O3S.H3N/c1-3-5-7-11-16-15-17-12-9-10-14-19(17)20(24(21,22)23)18(16)13-8-6-4-2;/h9-10,12,14-15H,3-8,11,13H2,1-2H3,(H,21,22,23);1H3",C20H28O3S.H3N,,,,,,ZTRXAIIXCCGSMH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.191,262-930-5,61702-93-0,(phenylmethyl)naphthalenesulphonic acid,2-benzylnaphthalene-1-sulfonic acid,OS(=O)(=O)c1c(Cc2ccccc2)ccc3ccccc13,OS(=O)(=O)c1c(Cc2ccccc2)ccc3ccccc13,"InChI=1/C17H14O3S/c18-21(19,20)17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-11H,12H2,(H,18,19,20)",C17H14O3S,,,,,,CBCZQJLYYRPMRI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.204,262-944-1,61744-43-2,6-methyl-2-pyridylpropan-1-ol,1-(6-methylpyridin-2-yl)propan-1-ol,CCC(O)c1cccc(C)n1,CCC(O)c1cccc(C)n1,"InChI=1/C9H13NO/c1-3-9(11)8-6-4-5-7(2)10-8/h4-6,9,11H,3H2,1-2H3",C9H13NO,,,,,,PQGLRECMDMHWLA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.087,237-511-5,13822-56-5,3-(trimethoxysilyl)propylamine,3-(trimethoxysilyl)propan-1-amine,CO[Si](CCCN)(OC)OC,CO[Si](CCCN)(OC)OC,"InChI=1/C6H17NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-7H2,1-3H3",C6H17NO3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14372,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.087,SJECZPVISLOESU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.442,242-302-7,18426-55-6,5-chloro-2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium,"4-(5-chloro-2-{2-[(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate",[O-]S(=O)(=O)C(C)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CC,[O-]S(=O)(=O)C(C)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CC,"InChI=1/C25H26Cl2N2O3S3/c1-4-17(12-24-28(5-2)20-14-18(26)6-8-22(20)33-24)13-25-29(11-10-16(3)35(30,31)32)21-15-19(27)7-9-23(21)34-25/h6-9,12-16H,4-5,10-11H2,1-3H3",C25H26Cl2N2O3S3,,,,,,JUASOEGJZZHZCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.443,242-303-2,18426-56-7,5-chloro-2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-3-ethylbenzothiazolium bromide,"5-chloro-2-{2-[(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-3-ethyl-1,3-benzothiazol-3-ium bromide",[Br-].CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CC,[Br-].CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CC,"InChI=1/C23H23Cl2N2S2.BrH/c1-4-15(11-22-26(5-2)18-13-16(24)7-9-20(18)28-22)12-23-27(6-3)19-14-17(25)8-10-21(19)29-23;/h7-14H,4-6H2,1-3H3;1H/q+1;/p-1",C23H23Cl2N2S2.Br,,,,,,IRDCLYHXVTZGKY-UHFFFAOYSA-M,,,,,,,,,,,
100.038.458,242-320-5,18441-56-0,4-propyl-o-cresol,2-methyl-4-propylphenol,CCCc1ccc(O)c(C)c1,CCCc1ccc(O)c(C)c1,"InChI=1/C10H14O/c1-3-4-9-5-6-10(11)8(2)7-9/h5-7,11H,3-4H2,1-2H3",C10H14O,,,,,,LDQYTDPXIMNESL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.462,242-324-7,18443-37-3,"4-ethyl-3-isopropyl-1,2,3-oxadiazolidin-5-one","4-ethyl-3-isopropyl-1,2,3-oxadiazolidin-5-one",CCC1N(NOC1=O)C(C)C,CCC1N(NOC1=O)C(C)C,"InChI=1/C7H14N2O2/c1-4-6-7(10)11-8-9(6)5(2)3/h5-6,8H,4H2,1-3H3",C7H12N2O2,,,,,,FWYCJEBMNLZTMX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.469,242-332-0,18448-65-2,Bis(hydroxyethyl)methyloleylammonium chloride,"N,N-bis(1-hydroxyethyl)-N-methyloctadec-9-en-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](C)(C(C)O)C(C)O,[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(C(C)O)C(C)O,"InChI=1/C23H48NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(4,22(2)25)23(3)26;/h12-13,22-23,25-26H,5-11,14-21H2,1-4H3;1H/q+1;/p-1",C23H48NO2.Cl,,,,,,NNEUHGJTJRPHMK-USGGBSEESA-M,,,,,,,,,,,
100.038.477,242-340-4,18457-03-9,Ethyl trimethylsilyl malonate,ethyl trimethylsilyl malonate,CCOC(=O)CC(=O)O[Si](C)(C)C,CCOC(=O)CC(=O)O[Si](C)(C)C,"InChI=1/C8H16O4Si/c1-5-11-7(9)6-8(10)12-13(2,3)4/h5-6H2,1-4H3",C8H16O4Si,,,,,,PVXMKQLVICGFSI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.479,242-343-0,18457-86-8,N-(o-tolyl)benzenesulphonamide,N-(2-methylphenyl)benzenesulfonamide,Cc1ccccc1NS(=O)(=O)c2ccccc2,Cc1ccccc1NS(=O)(=O)c2ccccc2,"InChI=1/C13H13NO2S/c1-11-7-5-6-10-13(11)14-17(15,16)12-8-3-2-4-9-12/h2-10,14H,1H3",C13H13NO2S,,,,,,BIZZAMCVUWYVCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.482,242-346-7,18465-38-8,"1-ethyl-1,4-dihydro-7-hydroxy-6-methoxy-4-oxoquinoline-3-carboxylic acid","1-ethyl-7-hydroxy-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2cc(OC)c(O)cc12,CCN1C=C(C(=O)O)C(=O)c2cc(OC)c(O)cc12,"InChI=1/C13H13NO5/c1-3-14-6-8(13(17)18)12(16)7-4-11(19-2)10(15)5-9(7)14/h4-6,15H,3H2,1-2H3,(H,17,18)",C13H13NO5,,,,,,ISLQOPMMYRNQEI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.485,242-349-3,18469-44-8,Sodium 2-[methyl(1-oxotetradecyl)amino]ethanesulphonate,sodium 2-[methyl(tetradecanoyl)amino]ethanesulfonate,[Na+].CCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],"InChI=1/C17H35NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)18(2)15-16-23(20,21)22;/h3-16H2,1-2H3,(H,20,21,22);/q;+1/p-1",C17H35NO4S.Na,,,,,,HJXBXTZDPSSEST-UHFFFAOYSA-M,,,,,,,,,,,
100.034.448,237-908-3,14062-59-0,3-(D-apio-ß-D-furanosyloxy)-1-(ß-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone,"8-hydroxy-6-methyl-9,10-dioxo-3-(pentofuranosyloxy)-9,10-dihydroanthracen-1-yl hexopyranoside",Cc1cc(O)c2C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(OC5OC(CO)C(O)C5O)cc3C(=O)c2c1,Cc1cc(O)c2C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(OC5OC(CO)C(O)C5O)cc3C(=O)c2c1,"InChI=1/C26H28O14/c1-8-2-10-16(12(29)3-8)21(33)17-11(18(10)30)4-9(37-25-23(35)20(32)15(7-28)39-25)5-13(17)38-26-24(36)22(34)19(31)14(6-27)40-26/h2-5,14-15,19-20,22-29,31-32,34-36H,6-7H2,1H3",C26H28O14,,,,,,JDATZHJVVZWTEM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.452,237-913-0,14064-10-9,Diethyl chloromalonate,diethyl chloromalonate,CCOC(=O)C(Cl)C(=O)OCC,CCOC(=O)C(Cl)C(=O)OCC,"InChI=1/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3",C7H11ClO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11740,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.452,WLWCQKMQYZFTDR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.457,237-918-8,14066-61-6,(2-carboxyphenyl)hydroxymercury,(2-carboxyphenyl)(hydroxy)mercury,O[Hg]c1ccccc1C(=O)O,O[Hg]c1ccccc1C(=O)O,"InChI=1/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-4H,(H,8,9);;1H2/q;+1;/p-1/rC7H6HgO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4,11H,(H,9,10)",C7H6HgO3,,,,,,BTYDLKTTZCMIKB-UHFFFAOYSA-M,,,,,,,,,,,
100.057.015,262-737-6,61368-34-1,Tribromostyrene,"1,2,3-tribromo-4-vinylbenzene",Brc1ccc(C=C)c(Br)c1Br,Brc1ccc(C=C)c(Br)c1Br,"InChI=1/C8H5Br3/c1-2-5-3-4-6(9)8(11)7(5)10/h2-4H,1H2",C8H5Br3,,,,,,DOTSLXAPJSPHJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.018,262-740-2,61372-91-6,N-methyldidocosylamine,N-docosyl-N-methyldocosan-1-amine,CCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C45H93N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46(3)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-45H2,1-3H3",C45H93N,,,,,,PORMVGDBMPISFU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.020,262-742-3,61379-64-4,4-cyclopentylpiperazin-1-amine,4-cyclopentylpiperazin-1-amine,NN1CCN(CC1)C2CCCC2,NN1CCN(CC1)C2CCCC2,"InChI=1/C9H19N3/c10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8,10H2",C9H19N3,,,,,,QYHRIASMJNLWHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.021,262-743-9,61379-65-5,Rifapentine,"8-{[(4-cyclopentylpiperazin-1-yl)imino]methyl}-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate",CC(=O)O[C@H]3[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\\C=C\\C=C(\\C)C(=O)Nc6c(C=NN1CCN(CC1)C2CCCC2)c(O)c5c4C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H]3C)Oc4c(C)c(O)c5c6O,CC(=O)O[C@H]3[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(\C)C(=O)Nc6c(C=NN1CCN(CC1)C2CCCC2)c(O)c5c4C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H]3C)Oc4c(C)c(O)c5c6O,"InChI=1/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)",C47H64N4O12,,,,,,WDZCUPBHRAEYDL-LYDPARFQSA-N,,,,,,,,,,,
100.057.022,262-744-4,61379-86-0,1-benzyl-4-(phenylamino)piperidine-4-carboxylic acid dihydrochloride,4-anilino-1-benzylpiperidine-4-carboxylic acid dihydrochloride,Cl.Cl.OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,Cl.Cl.OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C19H22N2O2.2ClH/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;;/h1-10,20H,11-15H2,(H,22,23);2*1H",C19H22N2O2.2ClH,,,,,,QNDVTIFLVWHAJR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.023,262-746-5,61380-02-7,1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine,1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine,COCC1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,COCC1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C20H26N2O/c1-23-17-20(21-19-10-6-3-7-11-19)12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,21H,12-17H2,1H3",C20H26N2O,,,,,,QBUUEBUUMUYSIY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.882,264-790-0,64346-12-9,"Octadecyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","octadecyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C18H39O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;6-3-1-5-2-4-7/h2-18H2,1H3,(H2,19,20,21);5-7H,1-4H2",C18H39O4P.C4H11NO2,,,,,,IAOSACPBECWNRX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.883,264-791-6,64346-13-0,Bis(2-hydroxyethyl)ammonium octadecyl sulphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium octadecyl sulfate,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,"InChI=1/C18H38O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;6-3-1-5-2-4-7/h2-18H2,1H3,(H,19,20,21);5-7H,1-4H2",C18H38O4S.C4H11NO2,,,,,,FXENCNXRPCFSSX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.885,264-793-7,64346-24-3,Bis[diethyl(hydroxyethyl)ammonium] sulphate,"bis(N,N-diethyl-1-hydroxyethanaminium) sulfate",CC[NH+](CC)C(C)O.CC[NH+](CC)C(C)O.[O-]S(=O)(=O)[O-],CC[NH+](CC)C(C)O.CC[NH+](CC)C(C)O.[O-]S(=O)(=O)[O-],"InChI=1/2C6H15NO.H2O4S/c2*1-4-7(5-2)6(3)8;1-5(2,3)4/h2*6,8H,4-5H2,1-3H3;(H2,1,2,3,4)",C6H15NO.1/2H2O4S,,,,,,VPNJXXLZHLLXRO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.888,264-796-3,64346-30-1,"2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-{2-[4-(diethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium acetate",CCN(CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],"InChI=1/C23H29N2.C2H4O2/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-2(3)4/h8-17H,6-7H2,1-5H3;1H3,(H,3,4)/q+1;/p-1",C23H29N2.C2H3O2,,,,,,KEUVYXFBMUFRGG-UHFFFAOYSA-M,,,,,,,,,,,
100.058.890,264-798-4,64346-41-4,"Tetralithium 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)","tetralithium 3-({4-[({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Li+].[Li+].[Li+].[Li+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,[Li+].[Li+].[Li+].[Li+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,"InChI=1/C37H32N6O15S4.4Li/c1-19-11-29(31(57-3)17-27(19)42-40-21-13-25-23(35(15-21)61(51,52)53)7-5-9-33(25)59(45,46)47)38-37(44)39-30-12-20(2)28(18-32(30)58-4)43-41-22-14-26-24(36(16-22)62(54,55)56)8-6-10-34(26)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C37H32N6O15S4.4Li,,,,,,CULWSHNMQRWIQY-UHFFFAOYSA-J,,,,,,,,,,,
100.055.555,261-130-3,58105-50-3,"1-(2,6,6-trimethyl-1-cyclohexen-1-yl)hepta-1,6-dien-3-one","1-(2,6,6-trimethylcyclohex-1-en-1-yl)hepta-1,6-dien-3-one",CC1(C)CCCC(\\C)=C1\\C=CC(=O)CCC=C,CC1(C)CCCC(\C)=C1\C=CC(=O)CCC=C,"InChI=1/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,10-11H,1,6-9,12H2,2-4H3",C16H24O,,,,,,BAVPUWMUHDMCAA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.556,261-131-9,58108-05-7,Hexahydrocyclopenta[c]pyrrol-2(1H)-amine monohydrochloride,hexahydrocyclopenta[c]pyrrol-2(1H)-amine hydrochloride,Cl.NN1CC2CCCC2C1,Cl.NN1CC2CCCC2C1,"InChI=1/C7H14N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h6-7H,1-5,8H2;1H",C7H14N2.ClH,,,,,,WPYNXKFLSQEEFE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.566,261-142-9,58149-89-6,1-(6-methoxy-1-naphthyl)ethan-1-one,1-(6-methoxy-1-naphthyl)ethanone,COc1ccc2c(cccc2c1)C(=O)C,COc1ccc2c(cccc2c1)C(=O)C,"InChI=1/C13H12O2/c1-9(14)12-5-3-4-10-8-11(15-2)6-7-13(10)12/h3-8H,1-2H3",C13H12O2,,,,,,WMGUVQVDQWMMBL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.569,261-146-0,58161-93-6,"4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid","4-{1-[(2,4-dichlorophenyl)carbamoyl]-3,3-dimethyl-2-oxobutoxy}benzoic acid",CC(C)(C)C(=O)C(Oc1ccc(cc1)C(=O)O)C(=O)Nc2ccc(Cl)cc2Cl,CC(C)(C)C(=O)C(Oc1ccc(cc1)C(=O)O)C(=O)Nc2ccc(Cl)cc2Cl,"InChI=1/C20H19Cl2NO5/c1-20(2,3)17(24)16(28-13-7-4-11(5-8-13)19(26)27)18(25)23-15-9-6-12(21)10-14(15)22/h4-10,16H,1-3H3,(H,23,25)(H,26,27)",C20H19Cl2NO5,,,,,,SJDRWLQBNZCZBG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.573,261-150-2,58166-27-1,6-O-a-D-glucopyranosyl-a-D-fructofuranose,6-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose,OC[C@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2",C12H22O11,,,,,,PVXPPJIGRGXGCY-DJHAAKORSA-N,,,,,,,,,,,
100.055.577,261-154-4,58177-64-3,(E)-3-[3-(trifluoromethyl)phenyl]acrylonitrile,3-[3-(trifluoromethyl)phenyl]acrylonitrile,FC(F)(F)c1cccc(/C=C/C#N)c1,FC(F)(F)c1cccc(/C=C/C#N)c1,"InChI=1/C10H6F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7H",C10H6F3N,,,,,,AQKTWIMZLCJHDR-DUXPYHPUSA-N,,,,,,,,,,,
100.055.581,261-159-1,58191-81-4,2-isopropyl-5-methylhex-4-enal,2-isopropyl-5-methylhex-4-enal,CC(C)C(CC=C(C)C)C=O,CC(C)C(CC=C(C)C)C=O,"InChI=1/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,9-10H,6H2,1-4H3",C10H18O,,,,,,QGWHBDAFRDCSBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.640,264-523-8,63870-30-4,3-ethyl-2-[2-(phenylamino)vinyl]benzoxazolium iodide,"2-(2-anilinovinyl)-3-ethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]1c(oc2ccccc12)\\C=C\\Nc3ccccc3,[I-].CC[n+]1c(oc2ccccc12)\C=C\Nc3ccccc3,"InChI=1/C17H16N2O.HI/c1-2-19-15-10-6-7-11-16(15)20-17(19)12-13-18-14-8-4-3-5-9-14;/h3-13H,2H2,1H3;1H",C17H17N2O.I,,,,,,ZXDQLNZKCFSRSS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.641,264-524-3,63870-31-5,"3-ethyl-2-[3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]-5,6-dimethylbenzoxazolium iodide","3-ethyl-2-[3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-en-1-yl]-5,6-dimethyl-1,3-benzoxazol-3-ium iodide",[I-].CCN3CCSC3=CC=Cc1oc2cc(C)c(C)cc2[n+]1CC,[I-].CCN3CCSC3=CC=Cc1oc2cc(C)c(C)cc2[n+]1CC,"InChI=1/C19H25N2OS.HI/c1-5-20-10-11-23-19(20)9-7-8-18-21(6-2)16-12-14(3)15(4)13-17(16)22-18;/h7-9,12-13H,5-6,10-11H2,1-4H3;1H/q+1;/p-1",C19H25N2OS.I,,,,,,BKEUQOLCUUFPFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.642,264-525-9,63870-32-6,2-[[3-(carboxylatomethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]-1-ethyl-6-methoxyquinolinium,"{5-chloro-2-[(1-ethyl-6-methoxyquinolinium-2-yl)methylene]-1,3-benzothiazol-3(2H)-yl}acetate",[O-]C(=O)CN3c4cc(Cl)ccc4SC3=Cc1ccc2cc(OC)ccc2[n+]1CC,[O-]C(=O)CN3c4cc(Cl)ccc4SC3=Cc1ccc2cc(OC)ccc2[n+]1CC,"InChI=1/C22H19ClN2O3S/c1-3-24-16(6-4-14-10-17(28-2)7-8-18(14)24)12-21-25(13-22(26)27)19-11-15(23)5-9-20(19)29-21/h4-12H,3,13H2,1-2H3",C22H19ClN2O3S,,,,,,JFOUTMXECBMMSD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.643,264-526-4,63870-33-7,"N,N'-(2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-diylidene)bis[9-ethyl-9H-carbazol-3-amine]","N,N'-(2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-diylidene)bis(9-ethyl-9H-carbazol-3-amine)",CCn1c2ccccc2c3cc(ccc13)N=C4C(=C(Cl)C(=Nc5ccc6c(c5)c7ccccc7n6CC)C(=C4Cl)Cl)Cl,CCn1c2ccccc2c3cc(ccc13)N=C4C(=C(Cl)C(=Nc5ccc6c(c5)c7ccccc7n6CC)C(=C4Cl)Cl)Cl,"InChI=1/C34H24Cl4N4/c1-3-41-25-11-7-5-9-21(25)23-17-19(13-15-27(23)41)39-33-29(35)31(37)34(32(38)30(33)36)40-20-14-16-28-24(18-20)22-10-6-8-12-26(22)42(28)4-2/h5-18H,3-4H2,1-2H3",C34H24Cl4N4,,,,,,JLANNKKWKSPTRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.658,264-543-7,63877-58-7,"2,4-diethylbenzenesulphonic acid","2,4-diethylbenzenesulfonic acid",CCc1ccc(c(CC)c1)S(=O)(=O)O,CCc1ccc(c(CC)c1)S(=O)(=O)O,"InChI=1/C10H14O3S/c1-3-8-5-6-10(14(11,12)13)9(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,11,12,13)",C10H14O3S,,,,,,AMUGDZXUAMBOOT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.666,264-552-6,63903-61-7,"(2a,6a,11R*)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","3-(cyclopropylmethyl)-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC4CC4,CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC4CC4,"InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3",C18H25NO,,,,,,YQYVFVRQLZMJKJ-VIYFESSGSA-N,,,,,,,,,,,
100.061.752,267-947-1,67953-23-5,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]stearamide monoacetate,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octadecanamide acetate,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,"InChI=1/C26H57N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h28-30H,2-25,27H2,1H3,(H,31,32);1H3,(H,3,4)",C26H57N5O.C2H4O2,,,,,,QKHILJSKSVXETI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.754,267-949-2,67953-30-4,Ammonium 4-butylnaphthalene-1-sulphonate,ammonium 4-butylnaphthalene-1-sulfonate,[NH4+].CCCCc1ccc(c2ccccc12)S(=O)(=O)[O-],[NH4+].CCCCc1ccc(c2ccccc12)S(=O)(=O)[O-],"InChI=1/C14H16O3S.H3N/c1-2-3-6-11-9-10-14(18(15,16)17)13-8-5-4-7-12(11)13;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);1H3",C14H16O3S.H3N,,,,,,SHGFGWXMCXHUND-UHFFFAOYSA-N,,,,,,,,,,,
100.061.757,267-952-9,67953-73-5,Iron(3+) tetrafluoroborate(1-),iron(3+) tritetrafluoroborate,[Fe+3].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F,[Fe+3].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/3BF4.Fe/c3*2-1(3,4)5;/q3*-1;+3",BF4.1/3Fe,,,,,,OTQLMKNYBDOITN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.759,267-955-5,67953-75-7,4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzenediazonium trichlorozincate,4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzenediazonium trichlorozincate(1-),CCN(CCO)c1ccc([N+]#N)c(C)c1.Cl[Zn-](Cl)Cl,CCN(CCO)c1ccc([N+]#N)c(C)c1.Cl[Zn-](Cl)Cl,"InChI=1/C11H16N3O.3ClH.Zn/c1-3-14(6-7-15)10-4-5-11(13-12)9(2)8-10;;;;/h4-5,8,15H,3,6-7H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC11H16N3O.Cl3Zn/c1-3-14(6-7-15)10-4-5-11(13-12)9(2)8-10;1-4(2)3/h4-5,8,15H,3,6-7H2,1-2H3;/q+1;-1",C11H16N3O.Cl3Zn,,,,,,UHZXVKCYRSKJFZ-UHFFFAOYSA-K,,,,,,,,,,,
100.061.760,267-956-0,67953-76-8,"(1-hydroxyethylidene)bisphosphonic acid, potassium salt",potassium hydrogen (1-hydroxy-1-phosphonoethyl)phosphonate,[K+].CC(O)(P(=O)(O)O)P(=O)(O)[O-],[K+].CC(O)(P(=O)(O)O)P(=O)(O)[O-],"InChI=1/C2H8O7P2.K/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);/q;+1/p-1",C2H8O7P2.xK,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2191,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.760,QJHGMCJEXKGYCA-UHFFFAOYSA-M,,,,,,,,,,,
100.061.766,267-962-3,67968-24-5,Diammonium dodecyl(sulphonatophenoxy)benzenesulphonate,diammonium 2-dodecyl-3-(2-sulfonatophenoxy)benzenesulfonate,[NH4+].[NH4+].CCCCCCCCCCCCc1c(Oc2ccccc2S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],[NH4+].[NH4+].CCCCCCCCCCCCc1c(Oc2ccccc2S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],"InChI=1/C24H34O7S2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-15-20-21(17-14-19-23(20)32(25,26)27)31-22-16-12-13-18-24(22)33(28,29)30;;/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30);2*1H3",C24H34O7S2.2H3N,,,,,,IGPBQHHLOZTOIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.774,267-971-2,67969-64-6,ß-methylbicyclo[2.2.1]heptane-2-propanol,3-bicyclo[2.2.1]hept-2-yl-2-methylpropan-1-ol,CC(CO)CC1CC2CCC1C2,CC(CO)CC1CC2CCC1C2,"InChI=1/C11H20O/c1-8(7-12)4-11-6-9-2-3-10(11)5-9/h8-12H,2-7H2,1H3",C11H20O,,,,,,WSDRMOFXYSCZJK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.816,261-417-3,58743-78-5,"4'-ethoxy[1,1'-biphenyl]-4-carbonitrile",4'-ethoxybiphenyl-4-carbonitrile,CCOc1ccc(cc1)c2ccc(cc2)C#N,CCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3",C15H13NO,,,,,,VETJRGXWDLHERN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.820,261-422-0,58762-16-6,Methyl 5-hexyl-7-(S-methylsulphonimidoyl)-9-oxo-9H-xanthene-2-carboxylate,methyl 5-hexyl-7-(S-methylsulfonimidoyl)-9-oxo-9H-xanthene-2-carboxylate,CCCCCCc1cc(cc2C(=O)c3cc(ccc3Oc12)C(=O)OC)S(=N)(=O)C,CCCCCCc1cc(cc2C(=O)c3cc(ccc3Oc12)C(=O)OC)S(=N)(=O)C,"InChI=1/C22H25NO5S/c1-4-5-6-7-8-14-11-16(29(3,23)26)13-18-20(24)17-12-15(22(25)27-2)9-10-19(17)28-21(14)18/h9-13,23H,4-8H2,1-3H3",C22H25NO5S,,,,,,RHCXNGOZHHVIAA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.822,261-424-1,58763-65-8,(E)-9-bromonon-5-en-3-yne,9-bromonon-5-en-3-yne,CCC#C\\C=C\\CCCBr,CCC#C\C=C\CCCBr,"InChI=1/C9H13Br/c1-2-3-4-5-6-7-8-9-10/h5-6H,2,7-9H2,1H3",C9H13Br,,,,,,PDHRGQPBXCFTQB-AATRIKPKSA-N,,,,,,,,,,,
100.055.823,261-425-7,58763-67-0,(E)-12-(1-ethoxyethoxy)dodec-5-en-3-yne,12-(1-ethoxyethoxy)dodec-5-en-3-yne,CCOC(C)OCCCCCC\\C=C\\C#CCC,CCOC(C)OCCCCCC\C=C\C#CCC,"InChI=1/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-15-18-16(3)17-5-2/h8-9,16H,4-5,10-15H2,1-3H3",C16H28O2,,,,,,AFFLAKUHPBBSGC-CMDGGOBGSA-N,,,,,,,,,,,
100.055.825,261-427-8,58763-69-2,(E)-(7-dodecen-9-ynyloxy)trimethylsilane,(dodec-7-en-9-yn-1-yloxy)(trimethyl)silane,CCC#C\\C=C\\CCCCCCO[Si](C)(C)C,CCC#C\C=C\CCCCCCO[Si](C)(C)C,"InChI=1/C15H28OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4/h8-9H,5,10-15H2,1-4H3",C15H28OSi,,,,,,BSFTXFASOLZMHG-CMDGGOBGSA-N,,,,,,,,,,,
100.055.827,261-429-9,58764-34-4,m-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonic acid,3-{[4-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonic acid,OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2cccc(c2)S(O)(=O)=O)c3ccccc34,OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2cccc(c2)S(O)(=O)=O)c3ccccc34,"InChI=1/C26H25N5O5S/c32-16-14-31(15-17-33)21-10-8-19(9-11-21)27-29-25-12-13-26(24-7-2-1-6-23(24)25)30-28-20-4-3-5-22(18-20)37(34,35)36/h1-13,18,32-33H,14-17H2,(H,34,35,36)",C26H25N5O5S,,,,,,FKHADEPATJCRGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.463,237-925-6,14071-35-3,N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]acetamide,N-{5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl}acetamide,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCO)CCO)[N+]([O-])=O,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C19H19BrN6O5/c1-12(29)22-18-10-14(25(4-6-27)5-7-28)2-3-17(18)23-24-19-13(11-21)8-15(26(30)31)9-16(19)20/h2-3,8-10,27-28H,4-7H2,1H3,(H,22,29)",C19H19BrN6O5,,,,,,TZGRVPGNUHVFOB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.464,237-926-1,14073-97-3,L-menthan-3-one,2-isopropyl-5-methylcyclohexanone,CC(C)C1CCC(C)CC1=O,CC(C)C1CCC(C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12246,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.464,NFLGAXVYCFJBMK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.064,241-887-6,17962-38-8,Diethyl [(trimethylsilyl)methyl]malonate,diethyl [(trimethylsilyl)methyl]malonate,CCOC(=O)C(C[Si](C)(C)C)C(=O)OCC,CCOC(=O)C(C[Si](C)(C)C)C(=O)OCC,"InChI=1/C11H22O4Si/c1-6-14-10(12)9(8-16(3,4)5)11(13)15-7-2/h9H,6-8H2,1-5H3",C11H22O4Si,,,,,,ZEOGFXACYDZIKN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.066,241-889-7,17963-04-1,"[3-(2,3-epoxypropoxy)propyl]ethoxydimethylsilane",ethoxy(dimethyl)[3-(oxiran-2-ylmethoxy)propyl]silane,CCO[Si](C)(C)CCCOCC1CO1,CCO[Si](C)(C)CCCOCC1CO1,"InChI=1/C10H22O3Si/c1-4-13-14(2,3)7-5-6-11-8-10-9-12-10/h10H,4-9H2,1-3H3",C10H22O3Si,,,,,,HHBOIIOOTUCYQD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.068,241-891-8,17968-09-1,"Nitric acid, cerium(3+) magnesium salt",-,[Mg+2].[Ce+3].[O-][N+](=O)[O-],[Mg+2].[Ce+3].[O-][N+](=O)[O-],InChI=1/Ce.Mg.NO3/c;;2-1(3)4/q+3;+2;-1,Ce.xHNO3.xMg,,,,,,JXRQAIYMZJXBGN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.075,241-899-1,17977-13-8,"2,2-dinitropropyl methacrylate","2,2-dinitropropyl methacrylate",CC(=C)C(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-],CC(=C)C(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H10N2O6/c1-5(2)6(10)15-4-7(3,8(11)12)9(13)14/h1,4H2,2-3H3",C7H10N2O6,,,,,,QTIMQTTZBLVHIH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.084,241-908-9,17985-63-6,"6,6-divinyl-2,5,7,10-tetraoxa-6-silaundecane","6,6-divinyl-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](OCCOC)(C=C)C=C,COCCO[Si](OCCOC)(C=C)C=C,"InChI=1/C10H20O4Si/c1-5-15(6-2,13-9-7-11-3)14-10-8-12-4/h5-6H,1-2,7-10H2,3-4H3",C10H20O4Si,,,,,,RVDDZBPDNPGWIM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.086,241-911-5,17995-04-9,"N,9-bis(trimethylsilyl)-9H-purin-6-amine","N,9-bis(trimethylsilyl)-9H-purin-6-amine",C[Si](C)(C)Nc1ncnc2c1ncn2[Si](C)(C)C,C[Si](C)(C)Nc1ncnc2c1ncn2[Si](C)(C)C,"InChI=1/C11H21N5Si2/c1-17(2,3)15-10-9-11(13-7-12-10)16(8-14-9)18(4,5)6/h7-8H,1-6H3,(H,12,13,15)",C11H21N5Si2,,,,,,SSWSPDDXHGZYTL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.091,241-916-2,18001-97-3,"3,3'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropanol","3,3'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropan-1-ol",C[Si](C)(CCCO)O[Si](C)(C)CCCO,C[Si](C)(CCCO)O[Si](C)(C)CCCO,"InChI=1/C10H26O3Si2/c1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h11-12H,5-10H2,1-4H3",C10H26O3Si2,,,,,,ISPWSRVEMSGMKS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.093,241-918-3,18013-23-5,"1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-{[4-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CN(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1)S(=O)(=O)c5ccc(C)cc5,CN(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1)S(=O)(=O)c5ccc(C)cc5,"InChI=1/C29H25N3O7S2/c1-17-7-13-20(14-8-17)40(35,36)32(2)16-18-9-11-19(12-10-18)31-23-15-24(41(37,38)39)27(30)26-25(23)28(33)21-5-3-4-6-22(21)29(26)34/h3-15,31H,16,30H2,1-2H3,(H,37,38,39)",C29H25N3O7S2,,,,,,BUXGNIRDPOLYKO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.098,241-924-6,18016-43-8,"Oleic acid, compound with N-(2-aminoethyl)ethane-1,2-diamine","octadec-9-enoic acid - N-(2-aminoethyl)ethane-1,2-diamine (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.NCCNCCN,CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCNCCN,"InChI=1/C18H34O2.C4H13N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-1-3-7-4-2-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);7H,1-6H2",C18H34O2.xC4H13N3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12666,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.098,PYBPYUAKCDQFCS-KVVVOXFISA-N,,,,,,,,,,,
100.038.102,241-928-8,18018-22-9,"5,8-dichloro-9,10-dihydro-9,10-dioxo-2-anthroic acid","5,8-dichloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid",OC(=O)c1ccc2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c2c1,OC(=O)c1ccc2C(=O)c3c(Cl)ccc(Cl)c3C(=O)c2c1,"InChI=1/C15H6Cl2O4/c16-9-3-4-10(17)12-11(9)13(18)7-2-1-6(15(20)21)5-8(7)14(12)19/h1-5H,(H,20,21)",C15H6Cl2O4,,,,,,JYKRMBCKXZSUKV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.104,241-930-9,18018-34-3,6-amino-1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole,1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazol-6-amine,CCn1c(C)nc2cc(c(N)cc12)C(F)(F)F,CCn1c(C)nc2cc(c(N)cc12)C(F)(F)F,"InChI=1/C11H12F3N3/c1-3-17-6(2)16-9-4-7(11(12,13)14)8(15)5-10(9)17/h4-5H,3,15H2,1-2H3",C11H12F3N3,,,,,,CBCBTRZQTHHIST-UHFFFAOYSA-N,,,,,,,,,,,
100.038.108,241-935-6,18024-00-5,2-chloroethanesulphonic acid,2-chloroethanesulfonic acid,OS(=O)(=O)CCCl,OS(=O)(=O)CCCl,"InChI=1/C2H5ClO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)",C2H5ClO3S,,,,,,FXKMTSIKHBYZSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.097,237-522-5,13825-36-0,Thorium tetrahydroxide,thorium tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Th+2].[Th+2],[OH-].[OH-].[OH-].[OH-].[Th+2].[Th+2],InChI=1/4H2O.2Th/h4*1H2;;/q;;;;2*+2/p-4,H4O4Th,,,,,,PIKDRBGAGVYXQJ-UHFFFAOYSA-J,,,,,,,,,,,
100.058.892,264-801-9,64346-44-7,Bis(isopropylammonium) sulphate,dipropan-2-aminium sulfate,CC(C)[NH3+].CC(C)[NH3+].[O-]S(=O)(=O)[O-],CC(C)[NH3+].CC(C)[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2C3H9N.H2O4S/c2*1-3(2)4;1-5(2,3)4/h2*3H,4H2,1-2H3;(H2,1,2,3,4)",C3H9N.1/2H2O4S,,,,,,VJDPRIDCVIEIRE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.901,264-811-3,64346-67-4,(2-hydroxyethyl)[2-[(2-hydroxyethyl)(stearoyl)amino]ethyl]-[2-[(2-hydroxyethyl)[2-(stearoyloxy)ethyl]amino]ethyl]methylammonium methyl sulphate,2-hydroxy-N-{2-[(2-hydroxyethyl)(stearoyl)amino]ethyl}-N-(2-{(2-hydroxyethyl)[2-(stearoyloxy)ethyl]amino}ethyl)-N-methylethanaminium methyl sulfate,CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C49H100N3O6.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-48(56)51(39-45-54)37-42-52(3,43-46-55)41-36-50(38-44-53)40-47-58-49(57)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h53-55H,4-47H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C49H100N3O6.CH3O4S,,,,,,JOEYVTUZTKUBSR-UHFFFAOYSA-M,,,,,,,,,,,
100.058.906,264-817-6,64346-93-6,"1-[2-[[2-[[2-[[2-[3-(dotetracontenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(hexatriacontenyl)pyrrolidine-2,5-dione","3-dotetracont-1-en-1-yl-1-[2-({2-[(2-{[2-(3-hexatriacont-1-en-1-yl-2,5-dioxopyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]pyrrolidine-2,5-dione",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C94H179N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-43-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-90-88-92(101)99(94(90)103)86-84-97-82-80-95-79-81-96-83-85-98-91(100)87-89(93(98)102)77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h75-78,89-90,95-97H,3-74,79-88H2,1-2H3",C94H179N5O4,,,,,,WADLXYIJPAJYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.907,264-818-1,64346-95-8,"1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetratetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(hexatriacontenyl)pyrrolidine-2,5-dione","1-[2-({2-[(2-{[2-(2,5-dioxo-3-tetratetracont-1-en-1-ylpyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]-3-hexatriacont-1-en-1-ylpyrrolidine-2,5-dione",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C96H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-41-42-43-44-45-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-92-90-94(103)101(96(92)105)88-86-99-84-82-97-81-83-98-85-87-100-93(102)89-91(95(100)104)79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h77-80,91-92,97-99H,3-76,81-90H2,1-2H3",C96H183N5O4,,,,,,APKOUAUUROHZRD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.915,264-827-0,64347-11-1,"1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(icosenyl)pyrrolidine-2,5-dione]","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis(3-icos-1-en-1-ylpyrrolidine-2,5-dione)",O=C2CC(C=CCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C56H103N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-51-49-53(62)60(55(51)64)47-45-58-43-41-57-42-44-59-46-48-61-54(63)50-52(56(61)65)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,51-52,57-59H,3-36,41-50H2,1-2H3",C56H103N5O4,,,,,,DXBMNDQHRAYJOH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.829,268-031-4,67990-08-3,1-ethyl-5-[(1-ethyl-2-pyrrolidinylidene)ethylidene]-3-methyl-2-thioxoimidazolidin-4-one,1-ethyl-5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-3-methyl-2-thioxoimidazolidin-4-one,CCN2CCCC2=CC=C1C(=O)N(C)C(=S)N1CC,CCN2CCCC2=CC=C1C(=O)N(C)C(=S)N1CC,"InChI=1/C14H21N3OS/c1-4-16-10-6-7-11(16)8-9-12-13(18)15(3)14(19)17(12)5-2/h8-9H,4-7,10H2,1-3H3",C14H21N3OS,,,,,,CIVNXUBWFVBYKC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.834,268-037-7,67990-13-0,1-ethyl-3-methyl-2-thioxoimidazolidin-4-one,1-ethyl-3-methyl-2-thioxoimidazolidin-4-one,CCN1CC(=O)N(C)C1=S,CCN1CC(=O)N(C)C1=S,"InChI=1/C6H10N2OS/c1-3-8-4-5(9)7(2)6(8)10/h3-4H2,1-2H3",C6H10N2OS,,,,,,HJARDFLUMLJZDG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.839,268-042-4,67990-20-9,"1,1'-ethylenebis[3-methylpiperidine]","1,1'-ethane-1,2-diylbis(3-methylpiperidine)",CC1CCCN(CCN2CCCC(C)C2)C1,CC1CCCN(CCN2CCCC(C)C2)C1,"InChI=1/C14H28N2/c1-13-5-3-7-15(11-13)9-10-16-8-4-6-14(2)12-16/h13-14H,3-12H2,1-2H3",C14H28N2,,,,,,YAFHICXFCISWPA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.840,268-044-5,67990-21-0,N-methyl-N-propylcyclopropylamine,N-methyl-N-propylcyclopropanamine,CCCN(C)C1CC1,CCCN(C)C1CC1,"InChI=1/C7H15N/c1-3-6-8(2)7-4-5-7/h7H,3-6H2,1-2H3",C7H15N,,,,,,HFFBUTJCQGSVLC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.669,264-555-2,63905-29-3,Bis(cyclohex-3-enylmethyl) adipate,bis(cyclohex-3-en-1-ylmethyl) adipate,O=C(CCCCC(=O)OCC1CCC=CC1)OCC2CCC=CC2,O=C(CCCCC(=O)OCC1CCC=CC1)OCC2CCC=CC2,"InChI=1/C20H30O4/c21-19(23-15-17-9-3-1-4-10-17)13-7-8-14-20(22)24-16-18-11-5-2-6-12-18/h1-3,5,17-18H,4,6-16H2",C20H30O4,,,,,,PJRVYFKLOAROIV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.672,264-558-9,63907-45-9,5-chloro-3-ethyl-2-[2-[[5-methoxy-3-(4-sulphonatobutyl)benzoselenazol-2(3H)-ylidene]methyl]but-1-enyl]benzothiazolium,"4-[2-{2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene}-5-methoxy-1,3-benzoselenazol-3(2H)-yl]butane-1-sulfonate",CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CCCCS([O-])(=O)=O)OC,CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CCCCS([O-])(=O)=O)OC,"InChI=1/C26H29ClN2O4S2Se/c1-4-18(14-25-28(5-2)21-16-19(27)8-10-23(21)34-25)15-26-29(12-6-7-13-35(30,31)32)22-17-20(33-3)9-11-24(22)36-26/h8-11,14-17H,4-7,12-13H2,1-3H3",C26H29ClN2O4S2Se,,,,,,KMOKYVDJZCIOCI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.673,264-559-4,63908-00-9,"N,N'-dibenzyl-N,N,N',N'-tetramethyl-N,N'-(2-hydroxypropane-1,3-diyl)diammonium dichloride","N,N'-dibenzyl-2-hydroxy-N,N,N',N'-tetramethylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(CC(O)C[N+](C)(C)Cc1ccccc1)Cc2ccccc2,[Cl-].[Cl-].C[N+](C)(CC(O)C[N+](C)(C)Cc1ccccc1)Cc2ccccc2,"InChI=1/C21H32N2O.2ClH/c1-22(2,15-19-11-7-5-8-12-19)17-21(24)18-23(3,4)16-20-13-9-6-10-14-20;;/h5-14,21,24H,15-18H2,1-4H3;2*1H/q+2;;/p-2",C21H32N2O.2Cl,,,,,,FGBUQVJBASHTCO-UHFFFAOYSA-L,,,,,,,,,,,
100.058.677,264-564-1,63921-06-2,Dimethyl methyloxosuccinate,dimethyl 2-methyl-3-oxosuccinate,COC(=O)C(C)C(=O)C(=O)OC,COC(=O)C(C)C(=O)C(=O)OC,"InChI=1/C7H10O5/c1-4(6(9)11-2)5(8)7(10)12-3/h4H,1-3H3",C7H10O5,,,,,,VWJXAXXLEPMWJY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.573,266-650-4,67338-62-9,"N-[5-[ethyl(phenylmethyl)amino]-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]azo]phenyl]acetamide","N-(5-[benzyl(ethyl)amino]-2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]diazenyl}phenyl)acetamide",CCSc3nnc(N=Nc1ccc(cc1NC(C)=O)N(Cc2ccccc2)CC)s3,CCSc3nnc(N=Nc1ccc(cc1NC(C)=O)N(Cc2ccccc2)CC)s3,"InChI=1/C21H24N6OS2/c1-4-27(14-16-9-7-6-8-10-16)17-11-12-18(19(13-17)22-15(3)28)23-24-20-25-26-21(30-20)29-5-2/h6-13H,4-5,14H2,1-3H3,(H,22,28)",C21H24N6OS2,,,,,,XGPMVIYCGUOGIO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.576,266-654-6,67342-59-0,"2,2'-dithiobis[4-chloro-N-[(1-methyl-4-piperidyl)methyl]benzamide]","2,2'-disulfanediylbis{4-chloro-N-[(1-methylpiperidin-4-yl)methyl]benzamide}",CN1CCC(CNC(=O)c2ccc(Cl)cc2SSc3cc(Cl)ccc3C(=O)NCC4CCN(C)CC4)CC1,CN1CCC(CNC(=O)c2ccc(Cl)cc2SSc3cc(Cl)ccc3C(=O)NCC4CCN(C)CC4)CC1,"InChI=1/C28H36Cl2N4O2S2/c1-33-11-7-19(8-12-33)17-31-27(35)23-5-3-21(29)15-25(23)37-38-26-16-22(30)4-6-24(26)28(36)32-18-20-9-13-34(2)14-10-20/h3-6,15-16,19-20H,7-14,17-18H2,1-2H3,(H,31,35)(H,32,36)",C28H36Cl2N4O2S2,,,,,,SCVDJMXAAVCHHF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.582,266-660-9,67355-35-5,"Calcium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoate","calcium 2-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoate",[Ca+2].[O-]C(=O)c3ccccc3N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O,[Ca+2].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O,"InChI=1/C17H14N4O6S.Ca/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C17H14N4O6S.Ca,,,,,,OJGJBDRWZSAKHF-UHFFFAOYSA-L,,,,,,,,,,,
100.060.584,266-663-5,67356-94-9,"1-acetyl-N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine","1-acetyl-N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine",CC(=O)N1CCN=C1Nc2cccc3CCCc23,CC(=O)N1CCN=C1Nc2cccc3CCCc23,"InChI=1/C14H17N3O/c1-10(18)17-9-8-15-14(17)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7H,2,4,6,8-9H2,1H3,(H,15,16)",C14H17N3O,,,,,,WGCQZEQXKNFPJL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.598,266-678-7,67392-15-8,Methyl 4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate,methyl 4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate,COC(=O)C1CC2(CCC1(C)C=C2)C(C)C,COC(=O)C1CC2(CCC1(C)C=C2)C(C)C,"InChI=1/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)11(9-14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3",C14H22O2,,,,,,NXAJZPARDMDLKH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.601,266-681-3,67400-78-6,"3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-1,2-dihydro-6-hydroxy-2-oxoisonicotinic acid","3-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)-6-hydroxy-2-oxo-1,2-dihydropyridine-4-carboxylic acid",O=C3NC(\\O)=C/C(=C3/N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)ccc2S(O)(=O)=O)C(O)=O,O=C3NC(\O)=C/C(=C3/N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)ccc2S(O)(=O)=O)C(O)=O,"InChI=1/C15H9Cl2N7O7S/c16-13-20-14(17)22-15(21-13)18-5-1-2-8(32(29,30)31)7(3-5)23-24-10-6(12(27)28)4-9(25)19-11(10)26/h1-4H,(H,27,28)(H2,19,25,26)(H,29,30,31)(H,18,20,21,22)",C15H9Cl2N7O7S,,,,,,KJCIQZZNSPHHFT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.603,266-683-4,67401-26-7,"(E)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one","3-but-2-en-1-yl-2,4,4-trimethylcyclohex-2-en-1-one",C\\C=C\\CC1=C(C)C(=O)CCC1(C)C,C\C=C\CC1=C(C)C(=O)CCC1(C)C,"InChI=1/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3",C13H20O,,,,,,CVDHBGKYPTUEAA-AATRIKPKSA-N,,,,,,,,,,,
100.060.604,266-685-5,67401-27-8,"3-(3-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one","3-but-3-en-1-yl-2,4,4-trimethylcyclohex-2-en-1-one",CC1=C(CCC=C)C(C)(C)CCC1=O,CC1=C(CCC=C)C(C)(C)CCC1=O,"InChI=1/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5H,1,6-9H2,2-4H3",C13H20O,,,,,,CZQIKCBGQZBANA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.829,261-432-5,58769-04-3,"9-fluoro-11ß,17-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-[(9E,12E)-octadeca-9,12-dienoate]","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl octadeca-9,12-dienoate",CCCCCC=CCC=CCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,CCCCCC=CCC=CCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,"InChI=1/C40H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36(45)47-28-35(44)40(46)29(2)25-33-32-22-21-30-26-31(42)23-24-37(30,3)39(32,41)34(43)27-38(33,40)4/h9-10,12-13,23-24,26,29,32-34,43,46H,5-8,11,14-22,25,27-28H2,1-4H3",C40H59FO6,,,,,,JCTITVWENFVLBV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.841,261-445-6,58793-73-0,"Decanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","decanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C10H20O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10(11)12;8-4-1-7(2-5-9)3-6-10/h2-9H2,1H3,(H,11,12);8-10H,1-6H2",C10H20O2.C6H15NO3,,,,,,GKHDHUDIDOQOFX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.843,261-447-7,58795-54-3,Bis[3-(formylamino)propyl](4-methoxy-3-nitrobenzyl)methylammonium chloride,3-formamido-N-(3-formamidopropyl)-N-(4-methoxy-3-nitrobenzyl)-N-methylpropan-1-aminium chloride,[Cl-].COc1ccc(C[N+](C)(CCCNC=O)CCCNC=O)cc1[N+](=O)[O-],[Cl-].COc1ccc(C[N+](C)(CCCNC=O)CCCNC=O)cc1[N+](=O)[O-],"InChI=1/C17H26N4O5.ClH/c1-21(9-3-7-18-13-22,10-4-8-19-14-23)12-15-5-6-17(26-2)16(11-15)20(24)25;/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3,(H-,18,19,22,23);1H",C17H27N4O5.Cl,,,,,,HIFAZIVOMHDTBX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.848,261-452-4,58812-96-7,"3-(2-methoxy-4-nitrophenyl)-1-triazene-1-carbonitrile, sodium salt",-,[Na+].COc1cc(ccc1NN=NC#N)[N+]([O-])=O,[Na+].COc1cc(ccc1NN=NC#N)[N+]([O-])=O,"InChI=1/C8H7N5O3.Na/c1-16-8-4-6(13(14)15)2-3-7(8)11-12-10-5-9;/h2-4H,1H3,(H,10,11);/q;+1",C8H7N5O3.Na,,,,,,RWEDMBZCCHZKOF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.851,261-456-6,58820-36-3,1-(4-chloro-o-tolyl)piperazine,1-(4-chloro-2-methylphenyl)piperazine,Cc1cc(Cl)ccc1N2CCNCC2,Cc1cc(Cl)ccc1N2CCNCC2,"InChI=1/C11H15ClN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3",C11H15ClN2,,,,,,MXEFOSLEAQWWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.314,260-865-7,57632-71-0,(±)-1-benzoyl-5-(1-pyrrolidinylcarbonyl)pyrrolidin-2-one,1-benzoyl-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-2-one,O=C(C1CCC(=O)N1C(=O)c2ccccc2)N3CCCC3,O=C(C1CCC(=O)N1C(=O)c2ccccc2)N3CCCC3,"InChI=1/C16H18N2O3/c19-14-9-8-13(16(21)17-10-4-5-11-17)18(14)15(20)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2",C16H18N2O3,,,,,,UAJWPUQWJOYSIT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.317,260-868-3,57637-04-4,"Ergosta-5,22(Z)-dien-3ß-ol","ergosta-5,22-dien-3-ol",CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,"InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3",C28H46O,,,,,,OILXMJHPFNGGTO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.324,260-876-7,57647-15-1,N-methyl-3-phenyl-1H-indol-1-amine,N-methyl-3-phenyl-1H-indol-1-amine,CNn1cc(c2ccccc2)c3ccccc13,CNn1cc(c2ccccc2)c3ccccc13,"InChI=1/C15H14N2/c1-16-17-11-14(12-7-3-2-4-8-12)13-9-5-6-10-15(13)17/h2-11,16H,1H3",C15H14N2,,,,,,IFFICPQMTHKYEI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.327,260-879-3,57648-17-6,"1,3-dihydro-1-piperidin-4-yl-2H-benzimidazole-2-thione","1-piperidin-4-yl-1,3-dihydro-2H-benzimidazole-2-thione",S=C1Nc2ccccc2N1C3CCNCC3,S=C1Nc2ccccc2N1C3CCNCC3,"InChI=1/C12H15N3S/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)",C12H15N3S,,,,,,ZORYTAATKDXHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.328,260-880-9,57648-21-2,Timiperone,"1-(4-fluorophenyl)-4-[4-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one",Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=S)Nc4ccccc34,Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=S)Nc4ccccc34,"InChI=1/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)",C22H24FN3OS,,,,,,YDLQKLWVKKFPII-UHFFFAOYSA-N,,,,,,,,,,,
100.055.330,260-883-5,57652-74-1,"3,4-dihydrobenz[a]anthracen-1(2H)-one","3,4-dihydrotetraphen-1(2H)-one",O=C1CCCc2ccc3cc4ccccc4cc3c12,O=C1CCCc2ccc3cc4ccccc4cc3c12,"InChI=1/C18H14O/c19-17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17/h1-2,4-5,8-11H,3,6-7H2",C18H14O,,,,,,LVBDYVLCOBUBNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.341,260-895-0,57675-44-2,"2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate","2,2-bis[(oleoyloxy)methyl]butyl octadec-9-enoate (non-preferred name)",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\\C=C/CCCCCCCC)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C60H110O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h27-32H,5-26,33-56H2,1-4H3",C60H110O6,,,,,,BTGGRPUPMPLZNT-PGEUSFDPSA-N,,,,,,,,,,,
100.034.102,237-527-2,13826-55-6,Potassium zinc phosphate,potassium zinc phosphate,[K+].[Zn+2].[O-]P(=O)([O-])[O-],[K+].[Zn+2].[O-]P(=O)([O-])[O-],"InChI=1/K.H3O4P.Zn/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+1;;+2/p-3",H3O4P.K.Zn,,,,,,CXDLXIMRJLZPDZ-UHFFFAOYSA-K,,,,,,,,,,,
100.034.114,237-540-3,13829-21-5,Trichlorodecylsilane,trichloro(decyl)silane,CCCCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C10H21Cl3Si/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3",C10H21Cl3Si,,,,,,HLWCOIUDOLYBGD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.118,237-545-0,13833-40-4,"O,O-dibutyl hydrogen phosphate, compound with 2-aminoethanol (1:1)",dibutyl hydrogen phosphate - 2-aminoethanol (1:1),CCCCOP(=O)(O)OCCCC.NCCO,CCCCOP(=O)(O)OCCCC.NCCO,"InChI=1/C8H19O4P.C2H7NO/c1-3-5-7-11-13(9,10)12-8-6-4-2;3-1-2-4/h3-8H2,1-2H3,(H,9,10);4H,1-3H2",C8H19O2PS2.C2H7NO,,,,,,HFBOEMKKBPSPBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.120,237-547-1,13835-41-1,"6,10-dimethylundeca-3,9-dien-2-one","6,10-dimethylundeca-3,9-dien-2-one",C/C(C)=C\\CCC(C)CC=CC(C)=O,C/C(C)=C\CCC(C)CC=CC(C)=O,"InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3",C13H22O,,,,,,SLMWIBBJFMTGLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.122,237-549-2,13836-37-8,"N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulphonyl]amino]methyl]-L-ornithine",N~2~-(tert-butoxycarbonyl)-N~5~-{[(4-methylphenyl)sulfonyl]carbamimidoyl}-L-ornithine,Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O,Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O,"InChI=1/C18H28N4O6S/c1-12-7-9-13(10-8-12)29(26,27)22-16(19)20-11-5-6-14(15(23)24)21-17(25)28-18(2,3)4/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)",C18H28N4O6S,,,,,,WBIIPXYJAMICNU-AWEZNQCLSA-N,,,,,,,,,,,
100.034.123,237-550-8,13837-56-4,"(±)-tetrahydro-2,6,6-trimethyl-2-vinyl-2H-pyran","2,2,6-trimethyl-6-vinyltetrahydro-2H-pyran",CC1(C)CCCC(C)(O1)C=C,CC1(C)CCCC(C)(O1)C=C,"InChI=1/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3",C10H18O,,,,,,NETOHYFTCONTDT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.628,239-207-8,15146-99-3,"Tetrahydrofurfuryl 2,4-dichlorophenoxyacetate","tetrahydrofuran-2-ylmethyl (2,4-dichlorophenoxy)acetate",Clc1ccc(OCC(=O)OCC2CCCO2)c(Cl)c1,Clc1ccc(OCC(=O)OCC2CCCO2)c(Cl)c1,"InChI=1/C13H14Cl2O4/c14-9-3-4-12(11(15)6-9)18-8-13(16)19-7-10-2-1-5-17-10/h3-4,6,10H,1-2,5,7-8H2",C13H14Cl2O4,,,,,,SBXXZSKNQDULKP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.630,239-209-9,15149-10-7,2-(4-methylphenoxy)ethanol,2-(4-methylphenoxy)ethanol,Cc1ccc(OCCO)cc1,Cc1ccc(OCCO)cc1,"InChI=1/C9H12O2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5,10H,6-7H2,1H3",C9H12O2,,,,,,FFWXHQFJNOGDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.631,239-210-4,15150-25-1,N-cyanobenzamide,N-cyanobenzamide,O=C(NC#N)c1ccccc1,O=C(NC#N)c1ccccc1,"InChI=1/C8H6N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-5H,(H,10,11)",C8H6N2O,,,,,,DBFAKALHTSOYSG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.636,239-216-7,15162-93-3,Praseodymium tribromate,praseodymium tribromate,[Pr+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Pr+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Pr/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Pr,,,,,,GGRFBEZDBAZSBG-UHFFFAOYSA-K,,,,,,,,,,,
100.035.637,239-217-2,15162-94-4,Scandium tribromate,scandium tribromate,[Sc+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Sc+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Sc/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Sc,,,,,,JBONRVQAHIJYHM-UHFFFAOYSA-K,,,,,,,,,,,
100.035.638,239-218-8,15162-95-5,Yttrium tribromate,yttrium tribromate,[Y+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Y+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Y/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Y,,,,,,BUGCDNRPNRJANA-UHFFFAOYSA-K,,,,,,,,,,,
100.030.771,233-861-8,10397-75-8,Iocarmic acid,"3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid]",CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I,CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I,"InChI=1/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)",C24H20I6N4O8,,,,,,SMQYOVYWPWASGU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.772,233-862-3,10399-13-0,Methyl a-cyclohexylmandelate,methyl cyclohexyl(hydroxy)phenylacetate,COC(=O)C(O)(C1CCCCC1)c2ccccc2,COC(=O)C(O)(C1CCCCC1)c2ccccc2,"InChI=1/C15H20O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13,17H,3,6-7,10-11H2,1H3",C15H20O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16833,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.772,SPTZOODMHSABLY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.775,233-866-5,10402-16-1,"Oleic acid, copper salt",copper(1+) octadec-9-enoate,[Cu].OC(=O)CCCCCCC/C=C\\CCCCCCCC,[Cu].OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1/C18H34O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1",C18H34O2.xCu,,,,,,XVBODFCHDIQCGK-KVVVOXFISA-N,,,,,,,,,,,
100.030.779,233-870-7,10402-48-9,"3,7-dimethyl-2,6-octadienyl 2,3-dimethylcrotonate","3,7-dimethylocta-2,6-dien-1-yl 2,3-dimethylbut-2-enoate",C/C(C)=C(/C)C(=O)OCC=C(C)CC\\C=C(/C)C,C/C(C)=C(/C)C(=O)OCC=C(C)CC\C=C(/C)C,"InChI=1/C16H26O2/c1-12(2)8-7-9-14(5)10-11-18-16(17)15(6)13(3)4/h8,10H,7,9,11H2,1-6H3",C16H26O2,,,,,,GLMOJOJHHPDUHX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.842,268-046-6,67990-23-2,"Trisodium 5-[[4-[[8-amino-7-[(4-aminophenyl)azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]phenyl]azo]salicylate","trisodium 5-{[4-({8-amino-7-[(4-aminophenyl)diazenyl]-1-hydroxy-3,6-disulfonato-2-naphthyl}diazenyl)phenyl]diazenyl}-2-hydroxybenzoate",[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(N)cc2)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(N)cc2)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5,"InChI=1/C29H22N8O10S2.3Na/c30-15-1-3-16(4-2-15)33-36-26-22(48(42,43)44)11-14-12-23(49(45,46)47)27(28(39)24(14)25(26)31)37-34-18-7-5-17(6-8-18)32-35-19-9-10-21(38)20(13-19)29(40)41;;;/h1-13,38-39H,30-31H2,(H,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C29H22N8O10S2.3Na,,,,,,XDBJGIVOWJUBRN-UHFFFAOYSA-K,,,,,,,,,,,
100.061.845,268-049-2,67990-28-7,Trisodium 4-amino-3-[[4-[2-(4-nitro-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]azo]naphthalene-1-sulphonate,trisodium 4-amino-3-({4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc3cc(c2ccccc2c3N)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc3cc(c2ccccc2c3N)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C24H18N4O11S3.3Na/c25-24-19-4-2-1-3-18(19)23(42(37,38)39)13-20(24)27-26-16-9-7-14(21(11-16)40(31,32)33)5-6-15-8-10-17(28(29)30)12-22(15)41(34,35)36;;;/h1-13H,25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3",C24H18N4O11S3.3Na,,,,,,BOSNCVLTKFBGPQ-GMAFQHBXSA-K,,,,,,,,,,,
100.061.850,268-055-5,67990-33-4,"1,2-dimethyl-3-(benzyl)-5-(trifluoromethyl)-1H-benzimidazolium bromide","3-benzyl-1,2-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-3,1-benzimidazol-1-ium bromide",[Br-].CC1N(Cc2ccccc2)c3cc(ccc3[NH+]1C)C(F)(F)F,[Br-].CC1N(Cc2ccccc2)c3cc(ccc3[NH+]1C)C(F)(F)F,"InChI=1/C17H17F3N2.BrH/c1-12-21(2)15-9-8-14(17(18,19)20)10-16(15)22(12)11-13-6-4-3-5-7-13;/h3-10,12H,11H2,1-2H3;1H",C17H16F3N2.Br,,,,,,LPVDIKSAAFXYEF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.851,268-056-0,67990-34-5,"Barium 3-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulphonate","barium 3-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1,5-disulfonate",[Ba+2].[O-]S(=O)(=O)c4cccc1c4cc(cc1S([O-])(=O)=O)N=Nc2c3ccccc3ccc2O,[Ba+2].[O-]S(=O)(=O)c4cccc1c4cc(cc1S([O-])(=O)=O)N=Nc2c3ccccc3ccc2O,"InChI=1/C20H14N2O7S2.Ba/c23-17-9-8-12-4-1-2-5-14(12)20(17)22-21-13-10-16-15(19(11-13)31(27,28)29)6-3-7-18(16)30(24,25)26;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2",C20H14N2O7S2.Ba,,,,,,RWKXUVPYWZEICG-UHFFFAOYSA-L,,,,,,,,,,,
100.061.852,268-057-6,67990-35-6,Calcium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate],calcium bis{5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate},[Ca+2].Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=Nc1c2ccccc2ccc1O,[Ca+2].Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C17H13ClN2O4S.Ca/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",C17H13ClN2O4S.1/2Ca,,,,,,VAMWUMJBWMYDOF-UHFFFAOYSA-L,,,,,,,,,,,
100.060.331,266-384-9,66510-53-0,"5,6,7,8,9,10,11,12,13,14-decahydro-2-methylcyclododeca[b]pyridine","2-methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine",Cc1ccc2CCCCCCCCCCc2n1,Cc1ccc2CCCCCCCCCCc2n1,"InChI=1/C16H25N/c1-14-12-13-15-10-8-6-4-2-3-5-7-9-11-16(15)17-14/h12-13H,2-11H2,1H3",C16H25N,,,,,,UOKAAQYLBYQAJK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.332,266-385-4,66512-37-6,Ethyl (R)-N-(1-phenylethyl)glycinate,ethyl N-(1-phenylethyl)glycinate,CCOC(=O)CN[C@H](C)c1ccccc1,CCOC(=O)CN[C@H](C)c1ccccc1,"InChI=1/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3",C12H17NO2,,,,,,NFYBPTIJJCODFR-SNVBAGLBSA-N,,,,,,,,,,,
100.060.333,266-387-5,66512-92-3,"2-(2,6-dimethylhept-5-enyl)-1,3-dioxolane","2-(2,6-dimethylhept-5-en-1-yl)-1,3-dioxolane",CC(CCC=C(C)C)CC1OCCO1,CC(CCC=C(C)C)CC1OCCO1,"InChI=1/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-12H,4,6-9H2,1-3H3",C12H22O2,,,,,,KCHXLUDCEMDEFL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.346,266-402-5,66546-90-5,Ethyl 2-cyano-2-propylvalerate,ethyl 2-cyano-2-propylpentanoate,CCCC(CCC)(C#N)C(=O)OCC,CCCC(CCC)(C#N)C(=O)OCC,"InChI=1/C11H19NO2/c1-4-7-11(9-12,8-5-2)10(13)14-6-3/h4-8H2,1-3H3",C11H19NO2,,,,,,CVMXOHNPQYTUOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.349,266-405-1,66557-45-7,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide",Clc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H19ClN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)",C18H19ClN6O5,,,,,,YREBUQFUGONNSP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.365,266-422-4,66605-88-7,Ammonium indan-5-sulphonate,ammonium indane-5-sulfonate,[NH4+].[O-]S(=O)(=O)c1ccc2CCCc2c1,[NH4+].[O-]S(=O)(=O)c1ccc2CCCc2c1,"InChI=1/C9H10O3S.H3N/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9;/h4-6H,1-3H2,(H,10,11,12);1H3",C9H10O3S.H3N,,,,,,BLEBUTRVOMKFAE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.366,266-424-5,66612-11-1,"N-[6-[(2-chloro-4-hydroxyphenyl)imino]-4-methoxy-3-oxo-1,4-cyclohexadien-1-yl]acetamide","N-{6-[(2-chloro-4-hydroxyphenyl)imino]-4-methoxy-3-oxocyclohexa-1,4-dien-1-yl}acetamide",CO\\C2=C\\C(=Nc1ccc(O)cc1Cl)C(=C/C2=O)\\NC(C)=O,CO\C2=C\C(=Nc1ccc(O)cc1Cl)C(=C/C2=O)\NC(C)=O,"InChI=1/C15H13ClN2O4/c1-8(19)17-12-6-14(21)15(22-2)7-13(12)18-11-4-3-9(20)5-10(11)16/h3-7,20H,1-2H3,(H,17,19)",C15H13ClN2O4,,,,,,GZTWJLFQKINBCF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.610,266-691-8,67432-21-7,Ethyl (Z)-(3-methyl-4-oxo-5-piperidin-1-ylthiazolidin-2-ylidene)acetate,"ethyl (3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate",CCOC(=O)\\C=C\\1/SC(N2CCCCC2)C(=O)N1C,CCOC(=O)\C=C\1/SC(N2CCCCC2)C(=O)N1C,"InChI=1/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3",C13H20N2O3S,,,,,,ZCKKHYXUQFTBIK-KTKRTIGZSA-N,,,,,,,,,,,
100.060.613,266-694-4,67446-83-7,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride,[O-][N+](=O)c1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1C(=O)Cl,[O-][N+](=O)c1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1C(=O)Cl,"InChI=1/C14H6Cl2F3NO4/c15-10-5-7(14(17,18)19)1-4-12(10)24-8-2-3-11(20(22)23)9(6-8)13(16)21/h1-6H",C14H6Cl2F3NO4,,,,,,KGPHNHSAYAXSOW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.602,261-182-7,58243-85-9,"3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carbaldehyde","3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde",CCc1cc2c(cc1C=O)C(C)(C)CCC2(C)C,CCc1cc2c(cc1C=O)C(C)(C)CCC2(C)C,"InChI=1/C17H24O/c1-6-12-9-14-15(10-13(12)11-18)17(4,5)8-7-16(14,2)3/h9-11H,6-8H2,1-5H3",C17H24O,,,,,,QCWQUWUCARNNRI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.610,261-191-6,58260-78-9,"2,2,5,9-tetramethyl-4,8-decadienenitrile","2,2,5,9-tetramethyldeca-4,8-dienenitrile",C/C(C)=C\\CCC(C)=CCC(C)(C)C#N,C/C(C)=C\CCC(C)=CCC(C)(C)C#N,"InChI=1/C14H23N/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15/h7,9H,6,8,10H2,1-5H3",C14H23N,,,,,,NFMTVOFPAPETFY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.619,261-201-9,58296-58-5,Cyanoguanidine monohydrochloride,1-cyanoguanidine hydrochloride,Cl.NC(=N)NC#N,Cl.NC(=N)NC#N,"InChI=1/C2H4N4.ClH/c3-1-6-2(4)5;/h(H4,4,5,6);1H",C2H4N4.ClH,,,,,,XFUXGQBTPGTUMC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.622,261-205-0,58306-30-2,Febantel,methyl [{2-[(methoxyacetyl)amino]-4-(phenylsulfanyl)phenyl}(methoxycarbonyl)carbamimidoyl]carbamate (non-preferred name),COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC,COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC,"InChI=1/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)",C20H22N4O6S,,,,,,HMCCXLBXIJMERM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.259,263-004-3,61788-76-9,"Alkanes, chloro","2,4,5,8,11,12,14,17-octachloroicosane",CCCC(Cl)CCC(Cl)CC(Cl)C(Cl)CCC(Cl)CCC(Cl)C(Cl)CC(C)Cl,CCCC(Cl)CCC(Cl)CC(Cl)C(Cl)CCC(Cl)CCC(Cl)C(Cl)CC(C)Cl,"InChI=1/C20H34Cl8/c1-3-4-14(22)5-6-16(24)12-20(28)18(26)10-8-15(23)7-9-17(25)19(27)11-13(2)21/h13-20H,3-12H2,1-2H3",-,,,,,,GHPXWFDSOBCWEE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.692,264-580-9,63960-71-4,"2-chloro-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-N-methylacetamide","2-chloro-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-N-methylacetamide",CN(C(=O)CCl)c1c(C(=O)c2ccccc2F)c(C)nn1C,CN(C(=O)CCl)c1c(C(=O)c2ccccc2F)c(C)nn1C,"InChI=1/C15H15ClFN3O2/c1-9-13(14(22)10-6-4-5-7-11(10)17)15(20(3)18-9)19(2)12(21)8-16/h4-7H,8H2,1-3H3",C15H15ClFN3O2,,,,,,FJFWRDDAYRSVMB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.695,264-584-0,63968-85-4,2-(trifluoromethoxy)benzonitrile,2-(trifluoromethoxy)benzonitrile,FC(F)(F)Oc1ccccc1C#N,FC(F)(F)Oc1ccccc1C#N,"InChI=1/C8H4F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H",C8H4F3NO,,,,,,ACNBBQGAWMHXLA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.704,264-594-5,63989-82-2,"3,5-dinitro-p-cresol","4-methyl-3,5-dinitrophenol",Cc1c(cc(O)cc1[N+](=O)[O-])[N+](=O)[O-],Cc1c(cc(O)cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O5/c1-4-6(8(11)12)2-5(10)3-7(4)9(13)14/h2-3,10H,1H3",C7H6N2O5,,,,,,HTAMNOAYOHLVPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.713,264-603-2,64018-22-0,"Disodium 3,3'-(phenylphosphinediyl)bis(benzene-1-sulphonate)","disodium 3,3'-(phenylphosphinediyl)dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)P(c2ccccc2)c3cccc(c3)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)P(c2ccccc2)c3cccc(c3)S(=O)(=O)[O-],"InChI=1/C18H15O6PS2.2Na/c19-26(20,21)17-10-4-8-15(12-17)25(14-6-2-1-3-7-14)16-9-5-11-18(13-16)27(22,23)24;;/h1-13H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C18H15O6PS2.2Na,,,,,,PWRPHTBBQPNXQA-UHFFFAOYSA-L,,,,,,,,,,,
100.060.618,266-700-5,67488-50-0,"Methyl 2,5-dihydro-3-thenoate 1,1-dioxide","methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide",COC(=O)C1=CCS(=O)(=O)C1,COC(=O)C1=CCS(=O)(=O)C1,"InChI=1/C6H8O4S/c1-10-6(7)5-2-3-11(8,9)4-5/h2H,3-4H2,1H3",C6H8O4S,,,,,,YHHZABJZHHCDNW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.391,260-949-3,57780-76-4,"4-(propylthio)benzene-1,2-diamine hydrochloride","4-(propylsulfanyl)benzene-1,2-diamine hydrochloride",Cl.CCCSc1ccc(N)c(N)c1,Cl.CCCSc1ccc(N)c(N)c1,"InChI=1/C9H14N2S.ClH/c1-2-5-12-7-3-4-8(10)9(11)6-7;/h3-4,6H,2,5,10-11H2,1H3;1H",C9H14N2S.xClH,,,,,,WEXOIPBOPIVXDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.343,260-897-1,57677-98-2,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) hydrogen phosphate - 2,2'-iminodiethanol (1:1)",OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C24H9F42O4P.C4H11NO2/c25-5(26,7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)63)1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66;6-3-1-5-2-4-7/h1-4H2,(H,67,68);5-7H,1-4H2",C24H9F42O4P.C4H11NO2,,,,,,RTNJPMVQJMDHGX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.345,260-899-2,57678-00-9,"Bis(2-hydroxyethyl)ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl] phosphate","2-hydroxy-N-(2-hydroxyethyl)ethanaminium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl) phosphate",OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C28H9F50O4P.C4H11NO2/c29-5(30,7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)21(61,62)23(65,66)25(69,70)27(73,74)75)1-3-81-83(79,80)82-4-2-6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(59,60)22(63,64)24(67,68)26(71,72)28(76,77)78;6-3-1-5-2-4-7/h1-4H2,(H,79,80);5-7H,1-4H2",C28H9F50O4P.C4H11NO2,,,,,,YOGVMPHDBJJLTR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.347,260-901-1,57678-07-6,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl dihydrogen phosphate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl dihydrogen phosphate",OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H6F25O4P/c15-3(16,1-2-43-44(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2,(H2,40,41,42)",C14H6F25O4P,,,,,,ROUGOWJCVFOXHO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.349,260-903-2,57683-71-3,Methyl o-sulphamoylbenzoate,methyl 2-sulfamoylbenzoate,COC(=O)c1ccccc1S(=O)(=O)N,COC(=O)c1ccccc1S(=O)(=O)N,"InChI=1/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)",C8H9NO4S,,,,,,VSOOBQALJVLTBH-UHFFFAOYSA-N,Positive,EA012601|EA012602|EA012603|EA012604|EA012605|EA012606|EA012607|EA012608|EA012609|EA012610|EA012611|EA012612|EA012613|EA012614,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,199.0061:184.0061:142.9963|199.0059:216.0323:184.0064|199.0058:135.044:184.0061|135.044:199.0058:184.006|135.044:130.0399:77.0386|130.0399:135.044:77.0385|130.0398:77.0385:92.0256|199.0058:216.0323:184.0062|199.0058:135.0439:184.006|135.0439:199.0058:184.0061|135.0439:130.0399:77.0385|130.0399:77.0385:135.0439|130.0399:77.0386:92.0256|199.0058:142.9961:142.0032,Eawag,,,,,
100.055.351,260-905-3,57689-21-1,Sodium (R)-1-methylnonyl sulphate,sodium 1-methylnonyl sulfate,[Na+].CCCCCCCC[C@@H](C)OS(=O)(=O)[O-],[Na+].CCCCCCCC[C@@H](C)OS(=O)(=O)[O-],"InChI=1/C10H22O4S.Na/c1-3-4-5-6-7-8-9-10(2)14-15(11,12)13;/h10H,3-9H2,1-2H3,(H,11,12,13);/q;+1/p-1",C10H22O4S.Na,,,,,,UOCBNOYTNWINFD-HNCPQSOCSA-M,,,,,,,,,,,
100.055.354,260-909-5,57699-45-3,p-tert-butoxybenzaldehyde,4-tert-butoxybenzaldehyde,CC(C)(C)Oc1ccc(C=O)cc1,CC(C)(C)Oc1ccc(C=O)cc1,"InChI=1/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3",C11H14O2,,,,,,VWSFZYXXQDKXKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.210,262-950-4,61745-59-3,Zinc(2+) N6-(1-oxohexadecyl)-L-lysinate,zinc bis[2-amino-6-(palmitoylamino)hexanoate],[Zn+2].CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],"InChI=1/2C22H44N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-19-16-15-17-20(23)22(26)27;/h2*20H,2-19,23H2,1H3,(H,24,25)(H,26,27);/q;;+2/p-2",C22H44N2O3.1/2Zn,,,,,,FHEHWZQHWQWFIX-WQXCQFITSA-L,,,,,,,,,,,
100.057.212,262-953-0,61745-61-7,Zinc bis(N6-lauroyl-L-lysinate),zinc bis[2-amino-6-(dodecanoylamino)hexanoate],[Zn+2].CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],[Zn+2].CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],"InChI=1/2C18H36N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23;/h2*16H,2-15,19H2,1H3,(H,20,21)(H,22,23);/q;;+2/p-2",C18H36N2O3.1/2Zn,,,,,,AECQQDXPHBCHJY-WUBQCMAVSA-L,,,,,,,,,,,
100.057.216,262-957-2,61750-18-3,"Ammonium 7-[(1,3-dioxobutyl)amino]-3-hydroxynaphthalene-1-sulphonate",ammonium 7-(acetoacetylamino)-3-hydroxynaphthalene-1-sulfonate,[NH4+].CC(=O)CC(=O)Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)[O-],[NH4+].CC(=O)CC(=O)Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)[O-],"InChI=1/C14H13NO6S.H3N/c1-8(16)4-14(18)15-10-3-2-9-5-11(17)7-13(12(9)6-10)22(19,20)21;/h2-3,5-7,17H,4H2,1H3,(H,15,18)(H,19,20,21);1H3",C14H13NO6S.H3N,,,,,,BTSOJXVXOFADOB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.218,262-959-3,61758-03-0,"(Z)-3,7-dimethylocta-2,6-diene-1-thiol","3,7-dimethylocta-2,6-diene-1-thiol",CC(=CCC\\C(=C/CS)\\C)C,CC(=CCC\C(=C/CS)\C)C,"InChI=1/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3",C10H18S,,,,,,FACAUSJJVBMWLV-YFHOEESVSA-N,,,,,,,,,,,
100.057.225,262-967-7,61788-32-7,"Terphenyl, hydrogenated",1-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-ylbenzene,C1CC=CC(C1)c2ccc(cc2)C3CCC=CC3,C1CC=CC(C1)c2ccc(cc2)C3CCC=CC3,"InChI=1/C18H22/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3,5,9,11-16H,2,4,6-8,10H2",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15941,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.225,TVBYFUMVFJKKNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.878,264-785-3,64339-49-7,(2-hydroxyethyl)ammonium toluene-p-sulphonate,2-hydroxyethanaminium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]CCO,Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C7H8O3S.C2H7NO/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2-4/h2-5H,1H3,(H,8,9,10);4H,1-3H2",C7H8O3S.C2H7NO,,,,,,VWFHDFPMMGRHGN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.792,233-884-3,10412-98-3,5-oxohexanonitrile,5-oxohexanenitrile,CC(=O)CCCC#N,CC(=O)CCCC#N,"InChI=1/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3",C6H9NO,,,,,,AEVMBQIIZGKQRB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.806,233-900-9,10421-85-9,(2-chlorophenyl)glycolic acid,(2-chlorophenyl)(hydroxy)acetic acid,OC(C(=O)O)c1ccccc1Cl,OC(C(=O)O)c1ccccc1Cl,"InChI=1/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)",C8H7ClO3,,,,,,RWOLDZZTBNYTMS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.973,241-787-2,17831-64-0,2-methoxyethyl hydrogen maleate,4-(2-methoxyethoxy)-4-oxobut-2-enoic acid,COCCOC(=O)\\C=C/C(=O)O,COCCOC(=O)\C=C/C(=O)O,"InChI=1/C7H10O5/c1-11-4-5-12-7(10)3-2-6(8)9/h2-3H,4-5H2,1H3,(H,8,9)",C7H10O5,,,,,,ZOVIVPPZCMSLMJ-IHWYPQMZSA-N,,,,,,,,,,,
100.037.974,241-788-8,17831-67-3,"1,3-phenylene bis[4-(1,1-dimethylethyl)benzoate]","1,3-phenylene bis(4-tert-butylbenzoate)",CC(C)(C)c1ccc(cc1)C(=O)Oc2cccc(OC(=O)c3ccc(cc3)C(C)(C)C)c2,CC(C)(C)c1ccc(cc1)C(=O)Oc2cccc(OC(=O)c3ccc(cc3)C(C)(C)C)c2,"InChI=1/C28H30O4/c1-27(2,3)21-14-10-19(11-15-21)25(29)31-23-8-7-9-24(18-23)32-26(30)20-12-16-22(17-13-20)28(4,5)6/h7-18H,1-6H3",C28H30O4,,,,,,AFAZGSWKIZVRSR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.981,241-796-1,17840-25-4,Dilithium isophthalate,dilithium isophthalate,[Li+].[Li+].[O-]C(=O)c1cccc(c1)C(=O)[O-],[Li+].[Li+].[O-]C(=O)c1cccc(c1)C(=O)[O-],"InChI=1/C8H6O4.2Li/c9-7(10)5-2-1-3-6(4-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H6O4.2Li,,,,,,HAVBHVPVOFMKKA-UHFFFAOYSA-L,,,,,,,,,,,
100.037.985,241-800-1,17843-09-3,"3a,4,5,6,7,7a-hexahydro-1-(trimethylsilyl)-4,7-methano-1H-benzotriazole","1-(trimethylsilyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanobenzotriazole",C[Si](C)(C)N1N=NC2C3CCC(C3)C12,C[Si](C)(C)N1N=NC2C3CCC(C3)C12,"InChI=1/C10H19N3Si/c1-14(2,3)13-10-8-5-4-7(6-8)9(10)11-12-13/h7-10H,4-6H2,1-3H3",C10H19N3Si,,,,,,WMHDGAHLMMBTDA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.987,241-802-2,17851-53-5,Butyl isobutyl phthalate,butyl isobutyl phthalate,CCCCOC(=O)c1ccccc1C(=O)OCC(C)C,CCCCOC(=O)c1ccccc1C(=O)OCC(C)C,"InChI=1/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3",C16H22O4,,,,,,UVIVWIFUPKGWGF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.993,241-809-0,17854-51-2,tert-butyl hydrogen peroxymaleate,4-(tert-butylperoxy)-4-oxobut-2-eneperoxoic acid,CC(C)(C)OOC(=O)C=CC(=O)OO,CC(C)(C)OOC(=O)C=CC(=O)OO,"InChI=1/C8H12O6/c1-8(2,3)14-13-7(10)5-4-6(9)12-11/h4-5,11H,1-3H3",C8H12O6,,,,,,RBZDHWBQZNJHBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.994,241-810-6,17854-59-0,Mepixanox,3-methoxy-4-(piperidin-1-ylmethyl)-9H-xanthen-9-one,COc1ccc2C(=O)c3ccccc3Oc2c1CN4CCCCC4,COc1ccc2C(=O)c3ccccc3Oc2c1CN4CCCCC4,"InChI=1/C20H21NO3/c1-23-17-10-9-15-19(22)14-7-3-4-8-18(14)24-20(15)16(17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3",C20H21NO3,,,,,,PYSOHOOUXFWCFF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.999,241-815-3,17864-93-6,Dichloro[2-(3-cyclohexen-1-yl)ethyl]methylsilane,dichloro(2-cyclohex-3-en-1-ylethyl)methylsilane,C[Si](Cl)(Cl)CCC1CCC=CC1,C[Si](Cl)(Cl)CCC1CCC=CC1,"InChI=1/C9H16Cl2Si/c1-12(10,11)8-7-9-5-3-2-4-6-9/h2-3,9H,4-8H2,1H3",C9H16Cl2Si,,,,,,GIVCFIPFCVYUQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.253,235-491-2,12252-83-4,"Aluminium, compound with thulium (2:1)",aluminum - thulium (2:1),[AlH3].[AlH3].[Tm],[AlH3].[AlH3].[Tm],InChI=1/2Al.Tm.6H/q3*+3;;;;;;/r2AlH3.Tm/h2*1H3;/q3*+3,Al.Tm,,,,,,CKSFVXFKGSSNTL-UHFFFAOYSA-N,,,,,,,,,,,
100.032.254,235-492-8,12253-13-3,"Aluminium, compound with manganese (3:1)",aluminum - manganese (3:1),[AlH3].[AlH3].[AlH3].[Mn],[AlH3].[AlH3].[AlH3].[Mn],InChI=1/3Al.Mn.9H/q3*+3;+2;;;;;;;;;/r3AlH3.Mn/h3*1H3;/q3*+3;+2,Al.Mn,,,,,,SDAQSHMEVZURSH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.797,240-494-7,16442-10-7,"Bis(2,6-dichlorobenzoic) anhydride","2,6-dichlorobenzoic anhydride",Clc1cccc(Cl)c1C(=O)OC(=O)c2c(Cl)cccc2Cl,Clc1cccc(Cl)c1C(=O)OC(=O)c2c(Cl)cccc2Cl,InChI=1/C14H6Cl4O3/c15-7-3-1-4-8(16)11(7)13(19)21-14(20)12-9(17)5-2-6-10(12)18/h1-6H,C14H6Cl4O3,,,,,,CGDWAVBBLJTVDO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.798,240-495-2,16442-79-8,2-amino-1-(2-chlorophenyl)ethan-1-one hydrochloride,2-amino-1-(2-chlorophenyl)ethanone hydrochloride,Cl.NCC(=O)c1ccccc1Cl,Cl.NCC(=O)c1ccccc1Cl,"InChI=1/C8H8ClNO.ClH/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-4H,5,10H2;1H",C8H8ClNO.ClH,,,,,,FVHPEPDZZJAMAE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.803,240-500-8,16452-01-0,3-methoxy-4-methylaniline,3-methoxy-4-methylaniline,COc1cc(N)ccc1C,COc1cc(N)ccc1C,"InChI=1/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3",C8H11NO,,,,,,ONADZNBSLRAJFW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.370,266-428-7,66620-37-9,"4-amino-3,6-bis[(4-amino-2-sulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-3,6-bis[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c4cc(N)ccc4N=Nc1c(N)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccc(N)cc2S(O)(=O)=O)c3O)S(O)(=O)=O,OS(=O)(=O)c4cc(N)ccc4N=Nc1c(N)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccc(N)cc2S(O)(=O)=O)c3O)S(O)(=O)=O,"InChI=1/C22H19N7O13S4/c23-10-1-3-12(14(7-10)43(31,32)33)26-28-20-16(45(37,38)39)5-9-6-17(46(40,41)42)21(22(30)18(9)19(20)25)29-27-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,30H,23-25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)",C22H19N7O13S4,,,,,,JRVBVQOZBXPUSV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.374,266-432-9,66641-10-9,"(5a,6a)-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl acetate","3-hydroxy-17-methyl-4,5-epoxymorphinan-6-yl acetate",CN1CC[C@@]23[C@H]4CC[C@H](OC(=O)C)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,CN1CC[C@@]23[C@H]4CC[C@H](OC(=O)C)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,"InChI=1/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3",C19H23NO4,,,,,,QSMMSROGHQAUSB-SSTWWWIQSA-N,,,,,,,,,,,
100.057.024,262-747-0,61380-07-2,2-(2-thienyl)ethyl methanesulphonate,2-(2-thienyl)ethyl methanesulfonate,CS(=O)(=O)OCCc1cccs1,CS(=O)(=O)OCCc1cccs1,"InChI=1/C7H10O3S2/c1-12(8,9)10-5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3",C7H10O3S2,,,,,,VUMFRFIVUQTAPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.026,262-749-1,61380-35-6,Methyl cis-(+)-3-methyl-1-phenethyl-4-(phenylamino)piperidine-4-carboxylate,methyl 4-anilino-3-methyl-1-(2-phenylethyl)piperidine-4-carboxylate,COC(=O)[C@]1(CCN(CCc2ccccc2)C[C@@H]1C)Nc3ccccc3,COC(=O)[C@]1(CCN(CCc2ccccc2)C[C@@H]1C)Nc3ccccc3,"InChI=1/C22H28N2O2/c1-18-17-24(15-13-19-9-5-3-6-10-19)16-14-22(18,21(25)26-2)23-20-11-7-4-8-12-20/h3-12,18,23H,13-17H2,1-2H3",C22H28N2O2,,,,,,ULCFSXQHBSJRKV-PGRDOPGGSA-N,,,,,,,,,,,
100.057.035,262-759-6,61392-10-7,Sodium (Z)-octadec-9-en-1-yl phosphonate,sodium octadec-9-en-1-yl phosphonate,[Na+].CCCCCCCC\\C=C/CCCCCCCCOP(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCCOP(=O)[O-],"InChI=1/C18H37O3P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h9-10,22H,2-8,11-18H2,1H3,(H,19,20);/q;+1/p-1",C18H37O3P.Na,,,,,,GANFDIUPLBTPLY-KVVVOXFISA-M,,,,,,,,,,,
100.057.055,262-781-6,61419-68-9,"Cobalt, compound with lanthanum (3:1)",cobalt - lanthanum (3:1),[Co].[Co].[Co].[La],[Co].[Co].[Co].[La],InChI=1/3Co.La/q3*+2;+3,Co.La,,,,,,FZKDURCLMTYEER-UHFFFAOYSA-N,,,,,,,,,,,
100.057.058,262-784-2,61432-55-1,S-(1-methyl-1-phenylethyl) piperidine-1-carbothioate,S-(1-methyl-1-phenylethyl) piperidine-1-carbothioate,CC(C)(SC(=O)N1CCCCC1)c2ccccc2,CC(C)(SC(=O)N1CCCCC1)c2ccccc2,"InChI=1/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3",C15H21NOS,,,,,,BWUPSGJXXPATLU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.059,262-785-8,61433-40-7,"4-amino-6-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-3-[(2,5-disulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-6-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)-3-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O)nc(Cl)n5,Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O)nc(Cl)n5,"InChI=1/C25H17Cl2N9O16S5/c26-23-30-24(27)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(28)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46/h1-8,37H,28H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,29,30,31,32)",C25H17Cl2N9O16S5,,,,,,ZLPVREGQSVXHNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.064,262-791-0,61437-39-6,"1,2-dichloro-4-(isopropyl)-5-nitrobenzene","1,2-dichloro-4-isopropyl-5-nitrobenzene",CC(C)c1cc(Cl)c(Cl)cc1[N+](=O)[O-],CC(C)c1cc(Cl)c(Cl)cc1[N+](=O)[O-],"InChI=1/C9H9Cl2NO2/c1-5(2)6-3-7(10)8(11)4-9(6)12(13)14/h3-5H,1-2H3",C9H9Cl2NO2,,,,,,NCFFZVFAYMAFIL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.919,264-831-2,64347-19-9,3-(tetracontenyl)succinic anhydride,"3-tetracont-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C44H82O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-41-43(45)47-44(42)46/h39-40,42H,2-38,41H2,1H3",C44H82O3,,,,,,ZNYCPBFTOPTDTG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.926,264-839-6,64354-14-9,Ethyl 2-acetylnon-2-enoate,ethyl 2-acetylnon-2-enoate,CCOC(=O)C(=CCCCCCC)C(C)=O,CCOC(=O)C(=CCCCCCC)C(C)=O,"InChI=1/C13H22O3/c1-4-6-7-8-9-10-12(11(3)14)13(15)16-5-2/h10H,4-9H2,1-3H3",C13H22O3,,,,,,KZQPCBQSLCLWQU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.929,264-842-2,64359-80-4,4-chloro-2-octyl-2H-isothiazol-3-one,4-chloro-2-octylisothiazol-3(2H)-one,CCCCCCCCN1SC=C(Cl)C1=O,CCCCCCCCN1SC=C(Cl)C1=O,"InChI=1/C11H18ClNOS/c1-2-3-4-5-6-7-8-13-11(14)10(12)9-15-13/h9H,2-8H2,1H3",C11H18ClNOS,,,,,,PHXZQPLQBTYCFV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.945,264-860-0,64387-67-3,"N-[5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2-yl]acetamide","N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide",CC(=O)Nc1nnc(SCc2ccccc2)s1,CC(=O)Nc1nnc(SCc2ccccc2)s1,"InChI=1/C11H11N3OS2/c1-8(15)12-10-13-14-11(17-10)16-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,15)",C11H11N3OS2,,,,,,CXGNGMANBKYIEF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.396,260-955-6,57781-19-8,"2-bromo-6ß,9-difluoro-11ß,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-acetate","2-bromo-6,9-difluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br,CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br,"InChI=1/C23H27BrF2O7/c1-10(27)33-9-19(31)23(32)17(29)6-11-12-4-15(25)13-5-16(28)14(24)7-20(13,2)22(12,26)18(30)8-21(11,23)3/h5,7,11-12,15,17-18,29-30,32H,4,6,8-9H2,1-3H3",C23H27BrF2O7,,,,,,JAWWELAUBJOEOF-CBDANFDESA-N,,,,,,,,,,,
100.055.397,260-956-1,57781-23-4,"2-bromo-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate","2-bromo-6,9-difluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br,"InChI=1/C23H27BrF2O6/c1-11(27)32-10-19(30)22(31)5-4-12-13-6-16(25)14-7-17(28)15(24)8-21(14,3)23(13,26)18(29)9-20(12,22)2/h7-8,12-13,16,18,29,31H,4-6,9-10H2,1-3H3",C23H27BrF2O6,,,,,,IZAIDEPSSMAJPO-BGHJQIAUSA-N,,,,,,,,,,,
100.061.002,267-122-6,67801-01-8,Barium bis[5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate],barium bis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate},[Ba+2].CCc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(CC)cc3N=Nc1c2ccccc2ccc1O,[Ba+2].CCc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(CC)cc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C18H15ClN2O4S.Ba/c2*1-2-11-9-15(17(10-14(11)19)26(23,24)25)20-21-18-13-6-4-3-5-12(13)7-8-16(18)22;/h2*3-10,22H,2H2,1H3,(H,23,24,25);/q;;+2/p-2",C18H15ClN2O4S.1/2Ba,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10931,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.002,XUDYBFMSKKDOQA-UHFFFAOYSA-L,,,,,,,,,,,
100.058.730,264-622-6,64051-23-6,Bis(diethylammonium) 2-butoxyethyl phosphate,bis(N-ethylethanaminium) 2-butoxyethyl phosphate,CCCCOCCOP(=O)([O-])[O-].CC[NH2+]CC.CC[NH2+]CC,CCCCOCCOP(=O)([O-])[O-].CC[NH2+]CC.CC[NH2+]CC,"InChI=1/C6H15O5P.2C4H11N/c1-2-3-4-10-5-6-11-12(7,8)9;2*1-3-5-4-2/h2-6H2,1H3,(H2,7,8,9);2*5H,3-4H2,1-2H3",C6H15O5P.2C4H11N,,,,,,TWNWJKJGZUUOKS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.741,264-634-1,64051-44-1,"1-[2-[[2-[[2-[[2-[3-(icosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(tetracosenyl)pyrrolidine-2,5-dione","1-[2-({2-[(2-{[2-(2,5-dioxo-3-tetracos-1-en-1-ylpyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]-3-icos-1-en-1-ylpyrrolidine-2,5-dione",O=C2CC(C=CCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C60H111N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-56-54-58(67)65(60(56)69)52-50-63-48-46-61-45-47-62-49-51-64-57(66)53-55(59(64)68)43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h41-44,55-56,61-63H,3-40,45-54H2,1-2H3",C60H111N5O4,,,,,,HXZGWNWSAJZVMR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.743,264-636-2,64051-48-5,"1-[2-[[2-[[2-[[2-[3-(icosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octadecenyl)pyrrolidine-2,5-dione","3-icos-1-en-1-yl-1-[2-({2-[(2-{[2-(3-octadec-1-en-1-yl-2,5-dioxopyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]pyrrolidine-2,5-dione",O=C2CC(C=CCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C54H99N5O4/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-50-48-52(61)59(54(50)63)46-44-57-42-40-55-39-41-56-43-45-58-51(60)47-49(53(58)62)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h35-38,49-50,55-57H,3-34,39-48H2,1-2H3",C54H99N5O4,,,,,,XMAFNWPZFILFMN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.744,264-637-8,64051-50-9,"1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(octadecenyl)pyrrolidine-2,5-dione]","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis(3-octadec-1-en-1-ylpyrrolidine-2,5-dione)",O=C2CC(C=CCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C52H95N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-47-45-49(58)56(51(47)60)43-41-54-39-37-53-38-40-55-42-44-57-50(59)46-48(52(57)61)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,47-48,53-55H,3-32,37-46H2,1-2H3",C52H95N5O4,,,,,,AZUQMKNTKCEUKF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.745,264-638-3,64051-52-1,"1-[2-[[2-[[2-[[2-[3-(hexatriacontenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octatriacontenyl)pyrrolidine-2,5-dione","3-hexatriacont-1-en-1-yl-1-[2-({2-[(2-{[2-(3-octatriacont-1-en-1-yl-2,5-dioxopyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]pyrrolidine-2,5-dione",O=C2CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C90H171N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-86-84-88(97)95(90(86)99)82-80-93-78-76-91-75-77-92-79-81-94-87(96)83-85(89(94)98)73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h71-74,85-86,91-93H,3-70,75-84H2,1-2H3",C90H171N5O4,,,,,,UWOQDALRWARZPM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.748,264-642-5,64051-58-7,3-(dotetracontenyl)succinic anhydride,"3-dotetracont-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C46H86O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-43-45(47)49-46(44)48/h41-42,44H,2-40,43H2,1H3",C46H86O3,,,,,,OHPDUABGEYJECH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.792,267-991-1,67969-89-5,5-(acetylamino)-2-sulphobenzenediazonium chloride,5-acetamido-2-sulfobenzenediazonium chloride,[Cl-].CC(=O)Nc1ccc(c(c1)[N+]#N)S(=O)(=O)O,[Cl-].CC(=O)Nc1ccc(c(c1)[N+]#N)S(=O)(=O)O,"InChI=1/C8H7N3O4S.ClH/c1-5(12)10-6-2-3-8(16(13,14)15)7(4-6)11-9;/h2-4H,1H3,(H-,10,12,13,14,15);1H",C8H8N3O4S.Cl,,,,,,AVZXXWYJDGKELN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.820,268-022-5,67989-97-3,Dipotassium 2-ethylhexyl phosphate,dipotassium 2-ethylhexyl phosphate,[K+].[K+].CCCCC(CC)COP(=O)([O-])[O-],[K+].[K+].CCCCC(CC)COP(=O)([O-])[O-],"InChI=1/C8H19O4P.2K/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;2*+1/p-2",C8H19O4P.2K,,,,,,MXDLSTFDVJKXGG-UHFFFAOYSA-L,,,,,,,,,,,
100.060.294,266-344-0,66408-78-4,"2-(2,6-dimethyl-1,5-heptadienyl)-1,3-dioxolane","2-(2,6-dimethylhepta-1,5-dien-1-yl)-1,3-dioxolane",C/C(C)=C\\CCC(C)=CC1OCCO1,C/C(C)=C\CCC(C)=CC1OCCO1,"InChI=1/C12H20O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3",C12H20O2,,,,,,KSDZVTNRVWBTFN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.295,266-345-6,66410-36-4,"7-(chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid","7-(chlorosulfonyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid",OC(=O)c1cc(cc2OCCOc12)S(=O)(=O)Cl,OC(=O)c1cc(cc2OCCOc12)S(=O)(=O)Cl,"InChI=1/C9H7ClO6S/c10-17(13,14)5-3-6(9(11)12)8-7(4-5)15-1-2-16-8/h3-4H,1-2H2,(H,11,12)",C9H7ClO6S,,,,,,NCSFGFOXYGSSSH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.310,266-361-3,66441-11-0,Ethyl 2-[4-[(6-chlorobenzothiazol-2-yl)oxy]phenoxy]propionate,"ethyl 2-{4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy}propanoate",CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1,CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1,"InChI=1/C18H16ClNO4S/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3",C18H16ClNO4S,,,,,,HVCNNTAUBZIYCG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.311,266-362-9,66441-23-4,Ethyl 2-[4-[(6-chlorobenzoxazol-2-yl)oxy]phenoxy]propionate,"ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate",CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1,CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1,"InChI=1/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3",C18H16ClNO5,,,,,,PQKBPHSEKWERTG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.319,266-371-8,66470-89-1,"2-[[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino]ethanol","2-{[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino}ethanol",CC1(C)CC(N)CC(C)(CNCCO)C1,CC1(C)CC(N)CC(C)(CNCCO)C1,"InChI=1/C12H26N2O/c1-11(2)6-10(13)7-12(3,8-11)9-14-4-5-15/h10,14-15H,4-9,13H2,1-3H3",C12H26N2O,,,,,,QWLUUZCNBWLTQM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.326,266-379-1,66486-85-9,3-[(2-ethylhexyl)oxy]-2-hydroxypropyl docosanoate,3-[(2-ethylhexyl)oxy]-2-hydroxypropyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(CC)CCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(CC)CCCC,"InChI=1/C33H66O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-33(35)37-30-32(34)29-36-28-31(6-3)26-8-5-2/h31-32,34H,4-30H2,1-3H3",C33H66O4,,,,,,OTRUEIQBIGHSMI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.330,266-383-3,66502-42-9,Silver(1+) tetracosanoate,silver(1+) tetracosanoate,[Ag+].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ag+].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C24H48O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1",C24H48O2.Ag,,,,,,LPYHADGLCYWDNC-UHFFFAOYSA-M,,,,,,,,,,,
100.055.361,260-916-3,57718-47-5,"N-[1-(phenylmethyl)piperidin-4-yl]benzene-1,2-diamine","N-(1-benzylpiperidin-4-yl)benzene-1,2-diamine",Nc1ccccc1NC2CCN(Cc3ccccc3)CC2,Nc1ccccc1NC2CCN(Cc3ccccc3)CC2,"InChI=1/C18H23N3/c19-17-8-4-5-9-18(17)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14,19H2",C18H23N3,,,,,,MHXACMFKKGZLNW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.366,260-922-6,57734-48-2,"Methyl 2,3-dimethoxy-5-[(methylamino)sulphonyl]benzoate","methyl 2,3-dimethoxy-5-(methylsulfamoyl)benzoate",CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)OC,CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)OC,"InChI=1/C11H15NO6S/c1-12-19(14,15)7-5-8(11(13)18-4)10(17-3)9(6-7)16-2/h5-6,12H,1-4H3",C11H15NO6S,,,,,,SCSLYXQZQWKMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.002,262-722-4,61339-42-2,"9,17-dibromo-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione","9,17-dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)CO,"InChI=1/C22H28Br2O4/c1-12-8-16-15-5-4-13-9-14(26)6-7-19(13,2)22(15,24)17(27)10-20(16,3)21(12,23)18(28)11-25/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3",C22H28Br2O4,,,,,,ABWOTFZUTTYNAA-CXSFZGCWSA-N,,,,,,,,,,,
100.057.003,262-724-5,61339-43-3,"17-bromo-9ß,11ß-epoxy-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione","17-bromo-21-hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(Br)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(Br)C(=O)CO,"InChI=1/C22H27BrO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,23)17(26)11-24/h6-7,9,12,15-16,18,24H,4-5,8,10-11H2,1-3H3",C22H27BrO4,,,,,,HEKUKYICGJFGFQ-QDBZYVRYSA-N,,,,,,,,,,,
100.036.805,240-502-9,16452-06-5,7-amino-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid,7-amino-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,COc3ccc(N=Nc2c(cc1cc(N)ccc1c2O)S(O)(=O)=O)c(c3)S(O)(=O)=O,COc3ccc(N=Nc2c(cc1cc(N)ccc1c2O)S(O)(=O)=O)c(c3)S(O)(=O)=O,"InChI=1/C17H15N3O8S2/c1-28-11-3-5-13(14(8-11)29(22,23)24)19-20-16-15(30(25,26)27)7-9-6-10(18)2-4-12(9)17(16)21/h2-8,21H,18H2,1H3,(H,22,23,24)(H,25,26,27)",C17H15N3O8S2,,,,,,ZPRUFNWBYQKDGT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.808,240-506-0,16455-98-4,Antimony oxalate,antimony oxalate,[SbH3+3].[SbH3+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[SbH3+3].[SbH3+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Sb.6H/c3*3-1(4)2(5)6;;;;;;;;/h3*(H,3,4)(H,5,6);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3C2H2O4.2H3Sb/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);2*1H3/q;;;2*+3/p-6",C2H2O4.xSb,,,,,,UEYWTODFAYBIKU-UHFFFAOYSA-H,,,,,,,,,,,
100.036.834,240-534-3,16480-57-2,Sodium 3-phenyl-L-alaninate,sodium 2-amino-3-phenylpropanoate,[Na+].N[C@@H](Cc1ccccc1)C(=O)[O-],[Na+].N[C@@H](Cc1ccccc1)C(=O)[O-],"InChI=1/C9H11NO2.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);/q;+1/p-1",C9H11NO2.Na,,,,,,ZRVUAXXSASAVFG-QRPNPIFTSA-M,,,,,,,,,,,
100.036.840,240-541-1,16485-47-5,Sodium [N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)glycinato(3-)]ferrate(1-),iron(2+) sodium [{2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino]acetate,[Na+].[Fe++].OCCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O,[Na+].[Fe++].OCCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O,"InChI=1/C10H18N2O7.Fe.Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;/q;+2;+1/p-3",C10H15FeN2O7.Na,,,,,,NXAFMLOGAMNMRW-UHFFFAOYSA-K,,,,,,,,,,,
100.033.716,237-103-7,13618-93-4,Octahydroindolizine,octahydroindolizine,C1CCN2CCCC2C1,C1CCN2CCCC2C1,"InChI=1/C8H15N/c1-2-6-9-7-3-5-8(9)4-1/h8H,1-7H2",C8H15N,,,,,,HAJKHJOABGFIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.718,237-105-8,13621-47-1,Cyano-N-methylthioformamide,[(cyanocarbonothioyl)amino]methane,N#CC(=S)NC,N#CC(=S)NC,"InChI=1/C3H4N2S/c1-5-3(6)2-4/h1H3,(H,5,6)",C3H4N2S,,,,,,FKNLHKZVRQVEFF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.722,237-110-5,13625-51-9,"4-methyl-1,2,4-triazolidine-3,5-dithione","4-methyl-1,2,4-triazolidine-3,5-dithione",CN1C(=S)NNC1=S,CN1C(=S)NNC1=S,"InChI=1/C3H5N3S2/c1-6-2(7)4-5-3(6)8/h1H3,(H,4,7)(H,5,8)",C3H5N3S2,,,,,,KNCMHNISYLPZBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.723,237-111-0,13628-49-4,Diammonium gadolinium pentanitrate,diammonium gadolinium pentanitrate,[NH4+].[NH4+].[Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Gd.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2,Gd.2H3N.5HNO3,,,,,,ATINIWORWZUEEJ-UHFFFAOYSA-P,,,,,,,,,,,
100.033.729,237-117-3,13631-64-6,4-(N-phenylamidino)thiazole hydrochloride,"N-phenyl-1,3-thiazole-4-carboximidamide hydrochloride",Cl.N=C(Nc1ccccc1)c2cscn2,Cl.N=C(Nc1ccccc1)c2cscn2,"InChI=1/C10H9N3S.ClH/c11-10(9-6-14-7-12-9)13-8-4-2-1-3-5-8;/h1-7H,(H2,11,13);1H",C10H9N3S.xClH,,,,,,KCJFGUPMSNYIDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.738,237-127-8,13639-21-9,Disodium salicylate,disodium salicylate,[Na+].[Na+].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Na+].[Na+].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.2Na/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+1/p-2",C7H6O3.2Na,,,,,,GQIOMLJVVCGPES-UHFFFAOYSA-L,,,,,,,,,,,
100.033.741,237-130-4,13643-37-3,"1-amino-4,8-dihydroxy-5-(methylamino)anthraquinone","1-amino-4,8-dihydroxy-5-(methylamino)-9,10-anthraquinone",CNc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,CNc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,"InChI=1/C15H12N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,17-19H,16H2,1H3",C15H12N2O4,,,,,,NGNLGMGUWBMKHI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.252,238-793-2,14732-20-8,Terbium triiodate,terbium(3+) triiodate,[Tb+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Tb+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.Tb/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",HIO3.1/3Tb,,,,,,BQNHJSVUMZSXKE-UHFFFAOYSA-K,,,,,,,,,,,
100.035.260,238-803-5,14737-91-8,(Z)-o-methoxycinnamic acid,3-(2-methoxyphenyl)acrylic acid,COc1ccccc1\\C=C/C(=O)O,COc1ccccc1\C=C/C(=O)O,"InChI=1/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)",C10H10O3,,,,,,FEGVSPGUHMGGBO-SREVYHEPSA-N,,,,,,,,,,,
100.035.267,238-810-3,14751-97-4,4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrachlorozincate (2:1),bis{4-[ethyl(2-hydroxyethyl)amino]benzenediazonium} tetrachlorozincate(2-),CCN(CCO)c1ccc(cc1)[N+]#N.CCN(CCO)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(CCO)c1ccc(cc1)[N+]#N.CCN(CCO)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C10H14N3O.4ClH.Zn/c2*1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;;;;/h2*3-6,14H,2,7-8H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C10H14N3O.Cl4Zn/c2*1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;1-5(2,3)4/h2*3-6,14H,2,7-8H2,1H3;/q2*+1;-2",C10H14N3O.1/2Cl4Zn,,,,,,MQRGMLDXNFBJTF-UHFFFAOYSA-J,,,,,,,,,,,
100.035.269,238-812-4,14752-75-1,Heptadecylbenzene,heptadecylbenzene,CCCCCCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCCCCCc1ccccc1,"InChI=1/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3",C23H40,,,,,,ZMPPFNHWXMJARX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.947,264-862-1,64394-17-8,"4,4,6-trimethylbicyclo[4.2.0]octan-2-ol","4,4,6-trimethylbicyclo[4.2.0]octan-2-ol",CC1(C)CC(O)C2CCC2(C)C1,CC1(C)CC(O)C2CCC2(C)C1,"InChI=1/C11H20O/c1-10(2)6-9(12)8-4-5-11(8,3)7-10/h8-9,12H,4-7H2,1-3H3",C11H20O,,,,,,QBYGJIFLSINRLO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.953,264-868-4,64398-84-1,N-(5-nitro-2-thiazolyl)benzamide,"N-(5-nitro-1,3-thiazol-2-yl)benzamide",[O-][N+](=O)c1cnc(NC(=O)c2ccccc2)s1,[O-][N+](=O)c1cnc(NC(=O)c2ccccc2)s1,"InChI=1/C10H7N3O3S/c14-9(7-4-2-1-3-5-7)12-10-11-6-8(17-10)13(15)16/h1-6H,(H,11,12,14)",C10H7N3O3S,,,,,,TYUHMMUUMWZPDB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.956,264-872-6,64399-28-6,1-(4-chlorophenyl)cyclohexanecarbonitrile,1-(4-chlorophenyl)cyclohexanecarbonitrile,Clc1ccc(cc1)C2(CCCCC2)C#N,Clc1ccc(cc1)C2(CCCCC2)C#N,"InChI=1/C13H14ClN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-9H2",C13H14ClN,,,,,,OSHOYPXOCQTDGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.960,264-876-8,64415-08-3,(2-methoxy-5-nitrobenzyl)dimethylsulphonium bromide,(2-methoxy-5-nitrobenzyl)(dimethyl)sulfonium bromide,[Br-].COc1ccc(cc1C[S+](C)C)[N+](=O)[O-],[Br-].COc1ccc(cc1C[S+](C)C)[N+](=O)[O-],"InChI=1/C10H14NO3S.BrH/c1-14-10-5-4-9(11(12)13)6-8(10)7-15(2)3;/h4-6H,7H2,1-3H3;1H/q+1;/p-1",C10H14NO3S.Br,,,,,,KVQLIOBMBZHOET-UHFFFAOYSA-M,,,,,,,,,,,
100.055.631,261-215-5,58336-37-1,"1,2,3,8-tetrahydro-1,2,3,3,5-pentamethyl-7H-pyrrolo[3,2-g]quinolin-7-one","1,2,3,3,5-pentamethyl-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]quinolin-7-one",CC1N(C)c2cc3NC(=O)C=C(C)c3cc2C1(C)C,CC1N(C)c2cc3NC(=O)C=C(C)c3cc2C1(C)C,"InChI=1/C16H20N2O/c1-9-6-15(19)17-13-8-14-12(7-11(9)13)16(3,4)10(2)18(14)5/h6-8,10H,1-5H3,(H,17,19)",C16H20N2O,,,,,,CMSOFVRQNSYALT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.632,261-216-0,58337-35-2,Elliptinium acetate,"9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate",CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13,CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13,"InChI=1/C18H16N2O.C2H4O2/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;1-2(3)4/h4-9,21H,1-3H3;1H3,(H,3,4)",C18H17N2O.C2H3O2,,,,,,BOMZMNZEXMAQQW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.636,261-220-2,58349-77-2,9-(2-nitrovinyl)anthracene,9-(2-nitrovinyl)anthracene,[O-][N+](=O)\\C=C\\c1c2ccccc2cc3ccccc13,[O-][N+](=O)\C=C\c1c2ccccc2cc3ccccc13,InChI=1/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H,C16H11NO2,,,,,,GYOMWYPUMGJROJ-MDZDMXLPSA-N,,,,,,,,,,,
100.055.641,261-226-5,58370-37-9,"Sodium 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-2-methylpropane-2-sulphonate","sodium 1-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)-2-methylpropane-2-sulfonate",[Na+].CC(C)(CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3)S(=O)(=O)[O-],[Na+].CC(C)(CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3)S(=O)(=O)[O-],"InChI=1/C19H21ClN2O5S2.Na/c1-19(2,29(25,26)27)13-28(23,24)17-9-7-16(8-10-17)22-12-11-18(21-22)14-3-5-15(20)6-4-14;/h3-10H,11-13H2,1-2H3,(H,25,26,27);/q;+1/p-1",C19H21ClN2O5S2.Na,,,,,,ABPKZRFIDANJLM-UHFFFAOYSA-M,,,,,,,,,,,
100.055.643,261-228-6,58373-29-8,Methyltriphenoxyphosphonium trifluoromethanesulphonate,methyl(triphenoxy)phosphonium trifluoromethanesulfonate,C[P+](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3.[O-]S(=O)(=O)C(F)(F)F,C[P+](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3.[O-]S(=O)(=O)C(F)(F)F,"InChI=1/C19H18O3P.CHF3O3S/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1",C20H18F3O6PS,,,,,,AXGZAARACNXXAR-UHFFFAOYSA-M,,,,,,,,,,,
100.055.644,261-229-1,58373-83-4,"Ammonium O,O-bis(methylphenyl) dithiophosphate","ammonium O,O-bis(2-methylphenyl) dithiophosphate",[NH4+].Cc1ccccc1OP(=S)([S-])Oc2ccccc2C,[NH4+].Cc1ccccc1OP(=S)([S-])Oc2ccccc2C,"InChI=1/C14H15O2PS2.H3N/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);1H3",C14H15O2PS2.H3N,,,,,,JEQFERRNWXYBQE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.651,261-237-5,58404-89-0,"(1a,2a,5ß,8ß)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-ol","5,5,10-trimethyltricyclo[6.3.1.0~3,6~]dodecan-2-ol",CC1CC2CC(C1)C(O)C3CC(C)(C)C3C2,CC1CC2CC(C1)C(O)C3CC(C)(C)C3C2,"InChI=1/C15H26O/c1-9-4-10-6-11(5-9)14(16)12-8-15(2,3)13(12)7-10/h9-14,16H,4-8H2,1-3H3",C15H26O,,,,,,ZFZJSMWCXQYIJX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.657,261-243-8,58425-36-8,"1,5,9,13-tetramethyl-1-vinyltetradecyl acetate","1,5,9,13-tetramethyl-1-vinyltetradecyl acetate",CC(C)CCCC(C)CCCC(C)CCCC(C)(OC(=O)C)C=C,CC(C)CCCC(C)CCCC(C)CCCC(C)(OC(=O)C)C=C,"InChI=1/C22H42O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,18-20H,1,9-17H2,2-7H3",C22H42O2,,,,,,GKWIQRXSJFOVGL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.660,261-246-4,58431-91-7,3-[bis(2-hydroxyethyl)amino]propanesulphonic acid,3-[bis(2-hydroxyethyl)amino]propane-1-sulfonic acid,OCCN(CCO)CCCS(=O)(=O)O,OCCN(CCO)CCCS(=O)(=O)O,"InChI=1/C7H17NO5S/c9-5-3-8(4-6-10)2-1-7-14(11,12)13/h9-10H,1-7H2,(H,11,12,13)",C7H17NO5S,,,,,,PDFGVCYGRLLUDE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.134,260-666-5,57285-94-6,"Dibutoxy(pentane-2,4-dionato-O,O')boron",dibutyl 1-methyl-3-oxobut-1-en-1-yl borate,CCCCOB(OCCCC)OC(=CC(=O)C)C,CCCCOB(OCCCC)OC(=CC(=O)C)C,"InChI=1/C13H25BO4/c1-5-7-9-16-14(17-10-8-6-2)18-13(4)11-12(3)15/h11H,5-10H2,1-4H3",C13H25BO4,,,,,,AXANGXQZTAPYAP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.138,260-670-7,57303-23-8,"N,N-dibutyloctanamide","N,N-dibutyloctanamide",CCCCCCCC(=O)N(CCCC)CCCC,CCCCCCCC(=O)N(CCCC)CCCC,"InChI=1/C16H33NO/c1-4-7-10-11-12-13-16(18)17(14-8-5-2)15-9-6-3/h4-15H2,1-3H3",C16H33NO,,,,,,IRACWGPKDYUZEC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.375,266-433-4,66644-80-2,"2,3-dimethoxy-5-sulphamoylbenzoic acid","2,3-dimethoxy-5-sulfamoylbenzoic acid",COc1cc(cc(C(=O)O)c1OC)S(=O)(=O)N,COc1cc(cc(C(=O)O)c1OC)S(=O)(=O)N,"InChI=1/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14)",C9H11NO6S,,,,,,YEVQOPOKMKTXMD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.378,266-437-6,66653-99-4,[2-[(1-oxododecyl)amino]ethoxy]acetic acid,[2-(dodecanoylamino)ethoxy]acetic acid,CCCCCCCCCCCC(=O)NCCOCC(=O)O,CCCCCCCCCCCC(=O)NCCOCC(=O)O,"InChI=1/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-12-13-21-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)",C16H31NO4,,,,,,CREQKGNXXKHRKU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.411,260-971-3,57813-59-9,2-mercaptoethyl octanoate,2-sulfanylethyl octanoate,CCCCCCCC(=O)OCCS,CCCCCCCC(=O)OCCS,"InChI=1/C10H20O2S/c1-2-3-4-5-6-7-10(11)12-8-9-13/h13H,2-9H2,1H3",C10H20O2S,,,,,,BHWWTWCFLZECFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.414,260-975-5,57817-89-7,(4a)-ß-D-glucopyranosyl 13-[(2-O-ß-D-glucopyranosyl-ß-D-glucopyranosyl)oxy]kaur-16-en-18-oate,1-O-{13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-18-oxokaur-16-en-18-yl}-beta-D-glucopyranose,O[C@@H]7[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]7OC(=O)[C@]6(C)CCC[C@@]2(C)[C@H]6CC[C@@]51C[C@@](CC[C@@H]12)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)C5,O[C@@H]7[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]7OC(=O)[C@]6(C)CCC[C@@]2(C)[C@H]6CC[C@@]51C[C@@](CC[C@@H]12)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)C5,"InChI=1/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3",C38H60O18,,,,,,UEDUENGHJMELGK-OBKNMXKASA-N,,,,,,,,,,,
100.055.415,260-976-0,57834-33-0,Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate,ethyl 4-({[methyl(phenyl)amino]methylene}amino)benzoate,CCOC(=O)c2ccc(N=CN(C)c1ccccc1)cc2,CCOC(=O)c2ccc(N=CN(C)c1ccccc1)cc2,"InChI=1/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3",C17H18N2O2,,,,,,GNGYPJUKIKDJQT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.419,260-980-2,57840-38-7,Triphenylsulphonium hexafluoroantimonate(1-),triphenylsulfonium hexafluoroantimonate(1-),F[Sb-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3,F[Sb-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3,"InChI=1/C18H15S.6FH.Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h1-15H;6*1H;/q+1;;;;;;;+5/p-6/rC18H15S.F6Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1",C18H15S.F6Sb,,,,,,XQXNUAIVGUDYPW-UHFFFAOYSA-H,,,,,,,,,,,
100.055.423,260-984-4,57845-08-6,1-(4-chlorophenyl)ethan-1-one phenylhydrazone,1-[1-(4-chlorophenyl)ethylidene]-2-phenylhydrazine,Clc1ccc(cc1)C(C)=NNc2ccccc2,Clc1ccc(cc1)C(C)=NNc2ccccc2,"InChI=1/C14H13ClN2/c1-11(12-7-9-13(15)10-8-12)16-17-14-5-3-2-4-6-14/h2-10,17H,1H3",C14H13ClN2,,,,,,YYYWZVSFFKHZNV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.435,260-998-0,57866-12-3,Iridium hexachloride,iridium hexachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[Ir+3],[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[Ir+3],InChI=1/6ClH.2Ir/h6*1H;;/q;;;;;;2*+3/p-6,Cl6Ir,,,,,,KIDDZJRYMPEQLT-UHFFFAOYSA-H,,,,,,,,,,,
100.055.438,261-001-1,57875-98-6,(2-cyanopropyl)ethyl(2-ethylhexyl)sulphonium tetrafluoroborate(1-),(2-cyanopropyl)(ethyl)(2-ethylhexyl)sulfonium tetrafluoroborate,CCCCC(CC)C[S+](CC)CC(C)C#N.F[B-](F)(F)F,CCCCC(CC)C[S+](CC)CC(C)C#N.F[B-](F)(F)F,"InChI=1/C14H28NS.BF4/c1-5-8-9-14(6-2)12-16(7-3)11-13(4)10-15;2-1(3,4)5/h13-14H,5-9,11-12H2,1-4H3;/q+1;-1",C14H28NS.BF4,,,,,,LTIKVLQFZILOMW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.440,261-003-2,57883-06-4,(R)-1-(methoxymethyl)propylamine,1-methoxybutan-2-amine,CC[C@@H](N)COC,CC[C@@H](N)COC,"InChI=1/C5H13NO/c1-3-5(6)4-7-2/h5H,3-4,6H2,1-2H3",C5H13NO,,,,,,QAFODUGVXFNLBE-RXMQYKEDSA-N,,,,,,,,,,,
100.055.441,261-004-8,57884-92-1,"5'a-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione methanesulphonate","5'-benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate (salt)",CC(C)[C@@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CS(=O)(=O)O,CC(C)[C@@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CS(=O)(=O)O,"InChI=1/C35H39N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)",C35H39N5O5.xCH4O3S,,,,,,WECZKEGDCUZFPL-GRMMLOPMSA-N,,,,,,,,,,,
100.055.446,261-010-0,57908-43-7,"2,2'-azobis(1,3-dimethylbutyl) diacetate","diazene-1,2-diylbis-4-methylpentane-3,2-diyl diacetate",CC(C)C(N=NC(C(C)OC(C)=O)C(C)C)C(C)OC(C)=O,CC(C)C(N=NC(C(C)OC(C)=O)C(C)C)C(C)OC(C)=O,"InChI=1/C16H30N2O4/c1-9(2)15(11(5)21-13(7)19)17-18-16(10(3)4)12(6)22-14(8)20/h9-12,15-16H,1-8H3",C16H30N2O4,,,,,,DCUPDSXPDMGCHV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.015,267-136-2,67801-16-5,"1,1'-(3,7-dimethyloct-6-enylidene)bis(1H-indole)","1,1'-(2,6-dimethyloct-2-ene-8,8-diyl)bis(1H-indole)",CC(CCC=C(C)C)CC(n1ccc2ccccc12)n3ccc4ccccc34,CC(CCC=C(C)C)CC(n1ccc2ccccc12)n3ccc4ccccc34,"InChI=1/C26H30N2/c1-20(2)9-8-10-21(3)19-26(27-17-15-22-11-4-6-13-24(22)27)28-18-16-23-12-5-7-14-25(23)28/h4-7,9,11-18,21,26H,8,10,19H2,1-3H3",C26H30N2,,,,,,RYWJPLGWOMDLNH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.004,262-725-0,61339-44-4,"17-bromo-9ß,11ß-epoxy-6ß-fluoro-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione","17-bromo-6-fluoro-21-hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(Br)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(Br)C(=O)CO,"InChI=1/C22H26BrFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)22(14)18(28-22)9-20(13,3)21(11,23)17(27)10-25/h4-5,7,11,13-14,16,18,25H,6,8-10H2,1-3H3",C22H26BrFO4,,,,,,AHRBEUCKLPVLDF-JPEOZNMXSA-N,,,,,,,,,,,
100.057.005,262-726-6,61341-42-2,Sodium thiophen-2-acetate,sodium 2-thienylacetate,[Na+].[O-]C(=O)Cc1cccs1,[Na+].[O-]C(=O)Cc1cccs1,"InChI=1/C6H6O2S.Na/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H,7,8);/q;+1/p-1",C6H6O2S.Na,,,,,,RSASPWMZKNIURZ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.007,262-728-7,61346-19-8,"2,3-dihydro-5-nitro-1H-indazol-3-one","5-nitro-1,2-dihydro-3H-indazol-3-one",[O-][N+](=O)c1ccc2NNC(=O)c2c1,[O-][N+](=O)c1ccc2NNC(=O)c2c1,"InChI=1/C7H5N3O3/c11-7-5-3-4(10(12)13)1-2-6(5)8-9-7/h1-3H,(H2,8,9,11)",C7H5N3O3,,,,,,XGSFRTHYHRTUCC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.017,262-739-7,61371-29-7,"6-(dimethylamino)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-disulphenamide","4,6-bis[(dimethylamino)sulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine",CN(C)Sc1nc(SN(C)C)nc(n1)N(C)C,CN(C)Sc1nc(SN(C)C)nc(n1)N(C)C,InChI=1/C9H18N6S2/c1-13(2)7-10-8(16-14(3)4)12-9(11-7)17-15(5)6/h1-6H3,C9H18N6S2,,,,,,SVYDQUDPOZJXNM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.886,264-794-2,64346-27-6,Bis[(2-ethylhexyl)ammonium] 6-methylheptyl phosphate,bis(2-ethylhexan-1-aminium) 6-methylheptyl phosphate,CCCCC(CC)C[NH3+].CCCCC(CC)C[NH3+].CC(C)CCCCCOP(=O)([O-])[O-],CCCCC(CC)C[NH3+].CCCCC(CC)C[NH3+].CC(C)CCCCCOP(=O)([O-])[O-],"InChI=1/2C8H19N.C8H19O4P/c2*1-3-5-6-8(4-2)7-9;1-8(2)6-4-3-5-7-12-13(9,10)11/h2*8H,3-7,9H2,1-2H3;8H,3-7H2,1-2H3,(H2,9,10,11)",C8H19N.1/2C8H19O4P,,,,,,JUVVRHRYAMNTJD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.889,264-797-9,64346-35-6,"Trisodium 3-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate","trisodium 3-({4-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].COc5cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc5N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc5cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc5N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O,"InChI=1/C28H23N5O11S3.3Na/c1-14-8-22(32-33-27-26(47(41,42)43)10-15-9-16(29)6-7-18(15)28(27)34)23(44-2)13-21(14)31-30-17-11-20-19(25(12-17)46(38,39)40)4-3-5-24(20)45(35,36)37;;;/h3-13,34H,29H2,1-2H3,(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C28H23N5O11S3.3Na,,,,,,NCJICTLEZZUGTQ-UHFFFAOYSA-K,,,,,,,,,,,
100.058.893,264-802-4,64346-47-0,Methyl 3-[[[tert-butylamino]carbonyl]amino]-2-butenoate,methyl 3-[(tert-butylcarbamoyl)amino]but-2-enoate,CC(C)(C)NC(=O)NC(C)=CC(=O)OC,CC(C)(C)NC(=O)NC(C)=CC(=O)OC,"InChI=1/C10H18N2O3/c1-7(6-8(13)15-5)11-9(14)12-10(2,3)4/h6H,1-5H3,(H2,11,12,14)",C10H18N2O3,,,,,,UXOROTUGAADVMK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.898,264-808-7,64346-58-3,"Dodecyl dihydrogen phosphate, compound with morpholine (1:1)",dodecyl dihydrogen phosphate - morpholine (1:1),CCCCCCCCCCCCOP(=O)(O)O.C1COCCN1,CCCCCCCCCCCCOP(=O)(O)O.C1COCCN1,"InChI=1/C12H27O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-6-4-2-5-1/h2-12H2,1H3,(H2,13,14,15);5H,1-4H2",C12H27O4P.C4H9NO,,,,,,ZJUQAKSRPKVGEA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.904,264-815-5,64346-74-3,"Trisodium 2-[[4-[(4-amino-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate","trisodium 2-({4-[(4-amino-1-naphthyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc5c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)ccc(N=Nc3ccc(N)c2ccccc23)c5c4,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc5c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)ccc(N=Nc3ccc(N)c2ccccc23)c5c4,"InChI=1/C26H19N5O9S3.3Na/c27-21-8-9-22(18-4-2-1-3-17(18)21)28-30-24-11-10-23(19-7-5-15(13-20(19)24)41(32,33)34)29-31-25-14-16(42(35,36)37)6-12-26(25)43(38,39)40;;;/h1-14H,27H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3",C26H19N5O9S3.3Na,,,,,,BVHZGFMQTFVPDR-UHFFFAOYSA-K,,,,,,,,,,,
100.058.910,264-821-8,64347-01-9,"1-[2-[[2-[[2-[[2-[3-(dotetracontenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octatriacontenyl)pyrrolidine-2,5-dione","3-dotetracont-1-en-1-yl-1-[2-({2-[(2-{[2-(3-octatriacont-1-en-1-yl-2,5-dioxopyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]pyrrolidine-2,5-dione",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C96H183N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-43-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-92-90-94(103)101(96(92)105)88-86-99-84-82-97-81-83-98-85-87-100-93(102)89-91(95(100)104)79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h77-80,91-92,97-99H,3-76,81-90H2,1-2H3",C96H183N5O4,,,,,,OVPXOEFOIIUFPE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.826,268-028-8,67990-05-0,N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide,N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide,COc5ccc(Cl)cc5NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2OC)C(=O)Nc3ccccc3)c4O,COc5ccc(Cl)cc5NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2OC)C(=O)Nc3ccccc3)c4O,"InChI=1/C32H25ClN4O5/c1-41-27-15-13-21(33)18-25(27)35-32(40)24-16-19-8-6-7-11-23(19)29(30(24)38)37-36-26-17-20(12-14-28(26)42-2)31(39)34-22-9-4-3-5-10-22/h3-18,38H,1-2H3,(H,34,39)(H,35,40)",C32H25ClN4O5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10816,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.826,IBHCUBFBUGYOHF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.270,238-814-5,14752-92-2,"Methyl N2-(N-acetylglycyl)-L-lysinate, monoacetate",methyl N~6~-(N-acetylglycyl)lysinate,COC(=O)C(N)CCCCNC(=O)CNC(=O)C,COC(=O)C(N)CCCCNC(=O)CNC(=O)C,"InChI=1/C11H21N3O4/c1-8(15)14-7-10(16)13-6-4-3-5-9(12)11(17)18-2/h9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)",C11H21N3O4.C2H4O2,,,,,,PXLNTOQUBJMICC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.272,238-816-6,14756-00-4,"3-(1,3-benzodioxol-5-yl)acrylaldehyde","3-(1,3-benzodioxol-5-yl)acrylaldehyde",O=C\\C=C\\c1ccc2OCOc2c1,O=C\C=C\c1ccc2OCOc2c1,"InChI=1/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2",C10H8O3,,,,,,HZUFMSJUNLSDSZ-OWOJBTEDSA-N,,,,,,,,,,,
100.035.274,238-818-7,14759-06-9,Sulforidazine,10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfonyl)-10H-phenothiazine,CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)(=O)C,CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)(=O)C,"InChI=1/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",C21H26N2O2S2,,,,,,FLGCRGJDQJIJAW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.280,238-825-5,14763-24-7,"(2,6-dichlorophenyl)hydrazine","(2,6-dichlorophenyl)hydrazine",NNc1c(Cl)cccc1Cl,NNc1c(Cl)cccc1Cl,"InChI=1/C6H6Cl2N2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2",C6H6Cl2N2,,,,,,IDTWYHVEGJBGPT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.281,238-826-0,14763-77-0,Copper dicyanide,copper(2+) dicyanide,[Cu+2].[C-]#N.[C-]#N,[Cu+2].[C-]#N.[C-]#N,InChI=1/2CN.Cu/c2*1-2;/q2*-1;+2,C2CuN2,,,,,,LEKPFOXEZRZPGW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.283,238-828-1,14764-54-6,Triacetoxybutylstannane,triacetoxy(butyl)stannane,CCCC[Sn](OC(=O)C)(OC(=O)C)OC(=O)C,CCCC[Sn](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1/C4H9.3C2H4O2.Sn/c1-3-4-2;3*1-2(3)4;/h1,3-4H2,2H3;3*1H3,(H,3,4);/q;;;;+3/p-3/rC10H18O6Sn/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13/h5-7H2,1-4H3",C10H18O6Sn,,,,,,DIVTWACHZOQOBF-UHFFFAOYSA-K,,,,,,,,,,,
100.035.284,238-829-7,14764-55-7,Titanium tetra(2-hydroxyethanolate),titanium tetra(2-hydroxyethanolate),[Ti+2].[Ti+2].OCC[O-].OCC[O-].OCC[O-].OCC[O-],[Ti+2].[Ti+2].OCC[O-].OCC[O-].OCC[O-].OCC[O-],"InChI=1/4C2H5O2.2Ti/c4*3-1-2-4;;/h4*3H,1-2H2;;/q4*-1;2*+2",C2H6O2.1/4Ti,,,,,,SOUWCLMSSLRYQT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.285,238-830-2,14765-30-1,2-sec-butylcyclohexan-1-one,2-sec-butylcyclohexanone,CCC(C)C1CCCCC1=O,CCC(C)C1CCCCC1=O,"InChI=1/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3",C10H18O,,,,,,RQXTZKGDMNIWJF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.293,238-839-1,14772-99-7,"Methyl 7a,12a-dihydroxy-3-oxo-5ß-cholan-24-oate","methyl 7,12-dihydroxy-3-oxocholan-24-oate",COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3",C25H40O5,,,,,,CIZOGAIBGCZRCL-PXOOZVEKSA-N,,,,,,,,,,,
100.035.298,238-844-9,14778-47-3,2-(benzoyloxy)ethyl methacrylate,2-(methacryloyloxy)ethyl benzoate,CC(=C)C(=O)OCCOC(=O)c1ccccc1,CC(=C)C(=O)OCCOC(=O)c1ccccc1,"InChI=1/C13H14O4/c1-10(2)12(14)16-8-9-17-13(15)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3",C13H14O4,,,,,,IRUHNBOMXBGOGR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.299,238-845-4,14779-16-9,3-methyl-3H-benzothiazol-2-imine,"3-methyl-1,3-benzothiazol-2(3H)-imine",CN1C(=N)Sc2ccccc12,CN1C(=N)Sc2ccccc12,"InChI=1/C8H8N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,9H,1H3",C8H8N2S,,,,,,VYFQTZSQRZCAGR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.304,238-851-7,14782-75-3,"(ethyl 3-oxobutyrato-O1',O3)bis(propan-2-olato)aluminium","[1-ethoxybutane-1,3-diolato(2-)-kappa~2~O~1~,O~3~][bis(propan-2-olato)]aluminate(1-)",CCOC1CC(C)O[Al](OC(C)C)(OC(C)C)O1,CCOC1CC(C)O[Al](OC(C)C)(OC(C)C)O1,"InChI=1/C6H12O3.2C3H7O.Al/c1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h5-6H,3-4H2,1-2H3;2*3H,1-2H3;/q-2;2*-1;+3/rC12H26AlO5/c1-7-14-12-8-11(6)17-13(18-12,15-9(2)3)16-10(4)5/h9-12H,7-8H2,1-6H3/q-1",C12H23AlO5,,,,,,ZJAOQCBTNKQXCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.311,238-859-0,14796-94-2,"Myristic acid, strontium salt",-,[Sr+2].CCCCCCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/C14H28O2.Sr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+2/p-1",C14H28O2.1/2Sr,,,,,,UDIQGTOSODNVHE-UHFFFAOYSA-M,,,,,,,,,,,
100.032.274,235-515-1,12262-06-5,Sodium 4-[[diamino(naphthylazo)phenyl]azo]naphthalene-1-sulphonate,"sodium 4-{[2,3-diamino-4-(1-naphthyldiazenyl)phenyl]diazenyl}naphthalene-1-sulfonate",[Na+].Nc5c(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)ccc(N=Nc4cccc3ccccc34)c5N,[Na+].Nc5c(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)ccc(N=Nc4cccc3ccccc34)c5N,"InChI=1/C26H20N6O3S.Na/c27-25-22(31-29-20-11-5-7-16-6-1-2-8-17(16)20)12-13-23(26(25)28)32-30-21-14-15-24(36(33,34)35)19-10-4-3-9-18(19)21;/h1-15H,27-28H2,(H,33,34,35);/q;+1/p-1",C26H20N6O3S.Na,,,,,,KCGDILWATZSVOQ-UHFFFAOYSA-M,,,,,,,,,,,
100.032.293,235-536-6,12266-38-5,"Antimony, compound with lead (1:1)",-,[Pb].[Sb],[Pb].[Sb],InChI=1/Pb.Sb.2H/q+4;+3;;/rH2Pb.Sb/h1H2;/q+4;+3,Pb.Sb,,,,,,QQHJESKHUUVSIC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.142,260-674-9,57310-75-5,"8,8'-[oxybis(ethyleneoxyethyleneoxy)]diquinoline","8,8'-[oxybis(ethane-2,1-diyloxyethane-2,1-diyloxy)]diquinoline",C(COCCOc1cccc2cccnc12)OCCOCCOc3cccc4cccnc34,C(COCCOc1cccc2cccnc12)OCCOCCOc3cccc4cccnc34,"InChI=1/C26H28N2O5/c1-5-21-7-3-11-27-25(21)23(9-1)32-19-17-30-15-13-29-14-16-31-18-20-33-24-10-2-6-22-8-4-12-28-26(22)24/h1-12H,13-20H2",C26H28N2O5,,,,,,GHYUCQLUMXYVRT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.146,260-679-6,57322-59-5,"1-(chloromethyl)-1,2-ethanediyl bismethacrylate","3-chloropropane-1,2-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCC(CCl)OC(=O)C(=C)C,CC(=C)C(=O)OCC(CCl)OC(=O)C(=C)C,"InChI=1/C11H15ClO4/c1-7(2)10(13)15-6-9(5-12)16-11(14)8(3)4/h9H,1,3,5-6H2,2,4H3",C11H15ClO4,,,,,,QGDHNMDUMGMVAO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.155,260-689-0,57352-24-6,Hexyl 5-oxo-L-prolinate,hexyl 5-oxo-L-prolinate,CCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C11H19NO3/c1-2-3-4-5-8-15-11(14)9-6-7-10(13)12-9/h9H,2-8H2,1H3,(H,12,13)",C11H19NO3,,,,,,IHPADOUYLWBQEN-VIFPVBQESA-N,,,,,,,,,,,
100.055.157,260-691-1,57355-27-8,Methyl 2-carbamoyl-3-phenylpropionate,methyl 3-amino-2-benzyl-3-oxopropanoate,COC(=O)C(Cc1ccccc1)C(=O)N,COC(=O)C(Cc1ccccc1)C(=O)N,"InChI=1/C11H13NO3/c1-15-11(14)9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,13)",C11H13NO3,,,,,,MBGQTVLDUWAMMN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.160,260-694-8,57357-85-4,"[1S-(1a,2ß,3a,5a)]-[2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methylamine","1-(2,6,6-trimethylbicyclo[3.1.1]hept-3-yl)methanamine",CC1C(CN)CC2CC1C2(C)C,CC1C(CN)CC2CC1C2(C)C,"InChI=1/C11H21N/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h7-10H,4-6,12H2,1-3H3",C11H21N,,,,,,MUOITVAMHSVXLO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.161,260-695-3,57358-97-1,"Acrylic acid, compound with 3-(triethoxysilyl)propylamine (1:1)",acrylic acid - 3-(triethoxysilyl)propan-1-amine (1:1),CCO[Si](CCCN)(OCC)OCC.OC(=O)C=C,CCO[Si](CCCN)(OCC)OCC.OC(=O)C=C,"InChI=1/C9H23NO3Si.C3H4O2/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2-3(4)5/h4-10H2,1-3H3;2H,1H2,(H,4,5)",C9H23NO3Si.C3H4O2,,,,,,FQNBKXWJDLTWCW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.167,260-703-5,57371-42-3,4-allyl-2-methoxyphenyl benzyl ether,4-allyl-1-(benzyloxy)-2-methoxybenzene,COc1cc(CC=C)ccc1OCc2ccccc2,COc1cc(CC=C)ccc1OCc2ccccc2,"InChI=1/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3",C17H18O2,,,,,,NSCLRALYUOMPCL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.072,262-799-4,61444-41-5,(Z)-3-hexenyl octanoate,hex-3-en-1-yl octanoate,CCCCCCCC(=O)OCC\\C=C/CC,CCCCCCCC(=O)OCC\C=C/CC,"InChI=1/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9-13H2,1-2H3",C14H26O2,,,,,,DYIDDAHHUMHEEQ-VURMDHGXSA-N,,,,,,,,,,,
100.057.073,262-800-8,61445-53-2,4-aminobenzylsuccinic acid,2-(4-aminobenzyl)succinic acid,Nc1ccc(CC(CC(=O)O)C(=O)O)cc1,Nc1ccc(CC(CC(=O)O)C(=O)O)cc1,"InChI=1/C11H13NO4/c12-9-3-1-7(2-4-9)5-8(11(15)16)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)(H,15,16)",C11H13NO4,,,,,,HWEYHPQQWPDLAY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.075,262-802-9,61450-21-3,Butyl 5-oxo-DL-prolinate,butyl 5-oxo-L-prolinate,CCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C9H15NO3/c1-2-3-6-13-9(12)7-4-5-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)",C9H15NO3,,,,,,QBBAJUQOYIURHA-ZETCQYMHSA-N,,,,,,,,,,,
100.057.078,262-806-0,61467-64-9,"4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline mononitrate","4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]dianiline nitrate",Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3.O[N+](=O)[O-],Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3.O[N+](=O)[O-],"InChI=1/C19H17N3.HNO3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;2-1(3)4/h1-12,20H,21-22H2;(H,2,3,4)",C19H17N3.HNO3,,,,,,IAAAHGSYZYMPLR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.079,262-807-6,61470-33-5,"Dibutyl 3,3'-(dichlorostannylene)dipropionate","dibutyl 3,3'-(dichlorostannanediyl)dipropanoate",CCCCOC(=O)CC[Sn](Cl)(Cl)CCC(=O)OCCCC,CCCCOC(=O)CC[Sn](Cl)(Cl)CCC(=O)OCCCC,"InChI=1/2C7H13O2.2ClH.Sn/c2*1-3-5-6-9-7(8)4-2;;;/h2*2-6H2,1H3;2*1H;/q;;;;+2/p-2/rC14H26Cl2O4Sn/c1-3-5-9-19-13(17)7-11-21(15,16)12-8-14(18)20-10-6-4-2/h3-12H2,1-2H3",C14H26Cl2O4Sn,,,,,,XMGWLFYKLMZYEI-UHFFFAOYSA-L,,,,,,,,,,,
100.057.084,262-812-3,61480-14-6,Sodium [(2-methoxyphenyl)amino]methanesulphonate,sodium [(2-methoxyphenyl)amino]methanesulfonate,[Na+].COc1ccccc1NCS(=O)(=O)[O-],[Na+].COc1ccccc1NCS(=O)(=O)[O-],"InChI=1/C8H11NO4S.Na/c1-13-8-5-3-2-4-7(8)9-6-14(10,11)12;/h2-5,9H,6H2,1H3,(H,10,11,12);/q;+1/p-1",C8H11NO4S.Na,,,,,,ABDADCJADOXDLS-UHFFFAOYSA-M,,,,,,,,,,,
100.057.087,262-816-5,61488-76-4,3-[[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile,"3-({4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile",[O-][N+](=O)c2ccc3nc(N=Nc1ccc(NCCC#N)cc1)sc3c2,[O-][N+](=O)c2ccc3nc(N=Nc1ccc(NCCC#N)cc1)sc3c2,"InChI=1/C16H12N6O2S/c17-8-1-9-18-11-2-4-12(5-3-11)20-21-16-19-14-7-6-13(22(23)24)10-15(14)25-16/h2-7,10,18H,1,9H2",C16H12N6O2S,,,,,,ZVXMPDZUGAZYOP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.018,267-139-9,67801-19-8,"4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol","4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol",CCC(O)C(C)=CCC1C\\C=C(\\C)C1(C)C,CCC(O)C(C)=CCC1C\C=C(\C)C1(C)C,"InChI=1/C15H26O/c1-6-14(16)11(2)7-9-13-10-8-12(3)15(13,4)5/h7-8,13-14,16H,6,9-10H2,1-5H3",C15H26O,,,,,,ZLXFAZWQPGECHI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.026,267-148-8,67801-28-9,2-methylallyl 2-ethylacrylate,2-methylprop-2-en-1-yl 2-methylenebutanoate,CCC(=C)C(=O)OCC(=C)C,CCC(=C)C(=O)OCC(=C)C,"InChI=1/C9H14O2/c1-5-8(4)9(10)11-6-7(2)3/h2,4-6H2,1,3H3",C9H14O2,,,,,,BARNBGGAMAZLDS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.028,267-150-9,67801-30-3,"5-(2,4,6-trimethyl-3-cyclohexen-1-yl)pent-4-en-3-one","1-(2,4,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one",CC1CC(\\C)=C/C(C)C1C=CC(=O)CC,CC1CC(\C)=C/C(C)C1C=CC(=O)CC,"InChI=1/C14H22O/c1-5-13(15)6-7-14-11(3)8-10(2)9-12(14)4/h6-8,11-12,14H,5,9H2,1-4H3",C14H22O,,,,,,FDKVIOKCJHJJNX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.030,267-153-5,67801-32-5,"5-(3,5,6-trimethyl-3-cyclohexen-1-yl)pent-4-en-3-one","1-(3,5,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one",CCC(=O)C=CC1CC(\\C)=C/C(C)C1C,CCC(=O)C=CC1CC(\C)=C/C(C)C1C,"InChI=1/C14H22O/c1-5-14(15)7-6-13-9-10(2)8-11(3)12(13)4/h6-8,11-13H,5,9H2,1-4H3",C14H22O,,,,,,BDPMZGRDZVBAGE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.037,267-160-3,67801-40-5,6-methyl-4-(2-methyl-1-propenyl)oct-5-en-2-one,6-methyl-4-(2-methylprop-1-en-1-yl)oct-5-en-2-one,CC(=O)CC(C=C(C)CC)\\C=C(/C)C,CC(=O)CC(C=C(C)CC)\C=C(/C)C,"InChI=1/C13H22O/c1-6-11(4)8-13(7-10(2)3)9-12(5)14/h7-8,13H,6,9H2,1-5H3",C13H22O,,,,,,MMLUMKGUBDXUCC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.039,267-162-4,67801-42-7,"Methyl 2-[(3,5,5-trimethylhexylidene)amino]benzoate","methyl 2-[(3,5,5-trimethylhexylidene)amino]benzoate",COC(=O)c1ccccc1N=CCC(C)CC(C)(C)C,COC(=O)c1ccccc1N=CCC(C)CC(C)(C)C,"InChI=1/C17H25NO2/c1-13(12-17(2,3)4)10-11-18-15-9-7-6-8-14(15)16(19)20-5/h6-9,11,13H,10,12H2,1-5H3",C17H25NO2,,,,,,GDZCMPXAZSTQGM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.050,267-175-5,67801-55-2,Methyl (4-methylphenyl)methyl terephthalate,methyl 4-methylbenzyl terephthalate,COC(=O)c1ccc(cc1)C(=O)OCc2ccc(C)cc2,COC(=O)c1ccc(cc1)C(=O)OCc2ccc(C)cc2,"InChI=1/C17H16O4/c1-12-3-5-13(6-4-12)11-21-17(19)15-9-7-14(8-10-15)16(18)20-2/h3-10H,11H2,1-2H3",C17H16O4,,,,,,DOGSNXUOLYILLP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.057,267-182-3,67801-62-1,"Propionic acid, compound with N-[3-(dimethylamino)propyl]dodecanamide (1:1)",propanoic acid - N-[3-(dimethylamino)propyl]dodecanamide (1:1),CCCCCCCCCCCC(=O)NCCCN(C)C.CCC(=O)O,CCCCCCCCCCCC(=O)NCCCN(C)C.CCC(=O)O,"InChI=1/C17H36N2O.C3H6O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3;1-2-3(4)5/h4-16H2,1-3H3,(H,18,20);2H2,1H3,(H,4,5)",C17H36N2O.C3H6O2,,,,,,LKQLASJZBZROKO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.393,266-453-3,66696-74-0,"3-[[4-amino-9,10-dihydro-9,10-dioxo-3-[sulpho-4-(1,1,3,3-tetramethylbutyl)phenoxy]-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonic acid","3-({4-amino-9,10-dioxo-3-[2-sulfo-4-(1,1,3,3-tetramethylbutyl)phenoxy]-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid",Cc1cc(C)c(c(C)c1Nc2cc(Oc3ccc(cc3S(=O)(=O)O)C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)O,Cc1cc(C)c(c(C)c1Nc2cc(Oc3ccc(cc3S(=O)(=O)O)C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)O,"InChI=1/C37H40N2O9S2/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47)",C37H40N2O9S2,,,,,,CUBRDDBWRBRJIH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.397,266-458-0,66715-59-1,"2,3-dihydro-8-methoxy-4H-1-benzothiopyran-4-one","8-methoxy-2,3-dihydro-4H-thiochromen-4-one",COc1cccc2C(=O)CCSc12,COc1cccc2C(=O)CCSc12,"InChI=1/C10H10O2S/c1-12-9-4-2-3-7-8(11)5-6-13-10(7)9/h2-4H,5-6H2,1H3",C10H10O2S,,,,,,WJCTYFIAHVFXGY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.405,266-466-4,66737-54-0,Ethyl 3-nitro-L-tyrosinate monohydrochloride,ethyl 3-nitro-L-tyrosinate hydrochloride,Cl.CCOC(=O)[C@@H](N)Cc1ccc(O)c(c1)[N+](=O)[O-],Cl.CCOC(=O)[C@@H](N)Cc1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C11H14N2O5.ClH/c1-2-18-11(15)8(12)5-7-3-4-10(14)9(6-7)13(16)17;/h3-4,6,8,14H,2,5,12H2,1H3;1H",C11H14N2O5.ClH,,,,,,GITKQXFBNJTMRP-QRPNPIFTSA-N,,,,,,,,,,,
100.060.408,266-470-6,66750-10-5,"13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane","13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane",C1COCCOCCN(CCOCCO1)c2ccccc2,C1COCCOCCN(CCOCCO1)c2ccccc2,"InChI=1/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2",C16H25NO4,,,,,,SGDQOAKAHLFKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.413,266-475-3,66768-50-1,Dilithium tetrapropenylsuccinate,dilithium tetraprop-1-en-1-ylsuccinate,[Li+].[Li+].[O-]C(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C([O-])=O,[Li+].[Li+].[O-]C(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C([O-])=O,"InChI=1/C16H22O4.2Li/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2",C16H28O4.2Li,,,,,,QDHBGIAURNYVGI-UHFFFAOYSA-L,,,,,,,,,,,
100.060.415,266-477-4,66788-41-8,Tinofedrine,"2-[(3,3-di-3-thienylprop-2-en-1-yl)amino]-1-phenylpropan-1-ol",C[C@H](NCC=C(c1ccsc1)c2ccsc2)[C@H](O)c3ccccc3,C[C@H](NCC=C(c1ccsc1)c2ccsc2)[C@H](O)c3ccccc3,"InChI=1/C20H21NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-9,11-15,20-22H,10H2,1H3",C20H21NOS2,,,,,,JQSHEDRVRBSFCZ-YWZLYKJASA-N,,,,,,,,,,,
100.061.836,268-039-8,67990-16-3,"N4-cyclohexyl-2-methyl-N2-(2-methylpropyl)pentane-2,4-diamine","N~4~-cyclohexyl-N~2~-isobutyl-2-methylpentane-2,4-diamine",CC(C)CNC(C)(C)CC(C)NC1CCCCC1,CC(C)CNC(C)(C)CC(C)NC1CCCCC1,"InChI=1/C16H34N2/c1-13(2)12-17-16(4,5)11-14(3)18-15-9-7-6-8-10-15/h13-15,17-18H,6-12H2,1-5H3",C16H34N2,,,,,,ZYRAUVPYOBILQC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.838,268-041-9,67990-19-6,Sodium 2-[(carboxymethyl)amino]benzoate,sodium 2-[(carboxymethyl)amino]benzoate,[Na+].OC(=O)CNc1ccccc1C(=O)[O-],[Na+].OC(=O)CNc1ccccc1C(=O)[O-],"InChI=1/C9H9NO4.Na/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14;/h1-4,10H,5H2,(H,11,12)(H,13,14);/q;+1/p-1",C9H9NO4.Na,,,,,,UYPADPVSXQKVIR-UHFFFAOYSA-M,,,,,,,,,,,
100.061.841,268-045-0,67990-22-1,"Trisodium 5-[[4-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulphonato-2-naphthyl]azo]phenyl]azo]salicylate","trisodium 5-{[4-({8-amino-1-hydroxy-7-[(4-nitrophenyl)diazenyl]-3,6-disulfonato-2-naphthyl}diazenyl)phenyl]diazenyl}-2-hydroxybenzoate",[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5,"InChI=1/C29H20N8O12S2.3Na/c30-25-24-14(11-22(50(44,45)46)26(25)35-32-17-5-8-19(9-6-17)37(42)43)12-23(51(47,48)49)27(28(24)39)36-33-16-3-1-15(2-4-16)31-34-18-7-10-21(38)20(13-18)29(40)41;;;/h1-13,38-39H,30H2,(H,40,41)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C29H20N8O12S2.3Na,,,,,,HCJNKQYDGOEAGH-UHFFFAOYSA-K,,,,,,,,,,,
100.061.843,268-047-1,67990-24-3,Disodium 4-hydroxy-3-[[3-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]-6-(phenylamino)naphthalene-2-sulphonate,disodium 6-anilino-4-hydroxy-3-({3-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N=Nc4c(cc3ccc(cc3c4O)Nc5ccccc5)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N=Nc4c(cc3ccc(cc3c4O)Nc5ccccc5)S([O-])(=O)=O,"InChI=1/C29H23N5O7S2.2Na/c1-18-15-23(11-14-26(18)33-31-21-9-12-24(13-10-21)42(36,37)38)32-34-28-27(43(39,40)41)16-19-7-8-22(17-25(19)29(28)35)30-20-5-3-2-4-6-20;;/h2-17,30,35H,1H3,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C29H23N5O7S2.2Na,,,,,,LXBHJKLUEUFFOS-UHFFFAOYSA-L,,,,,,,,,,,
100.061.844,268-048-7,67990-27-6,"2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-nonylphenol]","2,2'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-nonylphenol)",Oc4ccc(cc4N=Nc1ccc(cc1C)c3ccc(N=Nc2cc(CCCCCCCCC)ccc2O)c(C)c3)CCCCCCCCC,Oc4ccc(cc4N=Nc1ccc(cc1C)c3ccc(N=Nc2cc(CCCCCCCCC)ccc2O)c(C)c3)CCCCCCCCC,"InChI=1/C44H58N4O2/c1-5-7-9-11-13-15-17-19-35-21-27-43(49)41(31-35)47-45-39-25-23-37(29-33(39)3)38-24-26-40(34(4)30-38)46-48-42-32-36(22-28-44(42)50)20-18-16-14-12-10-8-6-2/h21-32,49-50H,5-20H2,1-4H3",C44H58N4O2,,,,,,KTVOLKQQNNIGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.847,268-051-3,67990-30-1,"2,5-dibromo-3-methylanisole","2,5-dibromo-1-methoxy-3-methylbenzene",COc1cc(Br)cc(C)c1Br,COc1cc(Br)cc(C)c1Br,"InChI=1/C8H8Br2O/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3",C8H8Br2O,,,,,,KAZLSZRLSZFBIF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.853,268-058-1,67990-36-7,"Barium 3-[(1-hydroxy-2-naphthyl)azo]naphthalene-1,5-disulphonate","barium 3-[(1-hydroxy-2-naphthyl)diazenyl]naphthalene-1,5-disulfonate",[Ba+2].[O-]S(=O)(=O)c4cccc1c4cc(cc1S([O-])(=O)=O)N=Nc3ccc2ccccc2c3O,[Ba+2].[O-]S(=O)(=O)c4cccc1c4cc(cc1S([O-])(=O)=O)N=Nc3ccc2ccccc2c3O,"InChI=1/C20H14N2O7S2.Ba/c23-20-14-5-2-1-4-12(14)8-9-17(20)22-21-13-10-16-15(19(11-13)31(27,28)29)6-3-7-18(16)30(24,25)26;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2",C20H14N2O7S2.Ba,,,,,,BFTAOJGBCXFTOW-UHFFFAOYSA-L,,,,,,,,,,,
100.061.855,268-060-2,67992-58-9,"Sodium 3-[[[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate","sodium 3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoate",[Na+].CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)[O-])c(I)c(C(=O)NCCO)c2I)c1I,[Na+].CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)[O-])c(I)c(C(=O)NCCO)c2I)c1I,"InChI=1/C24H21I6N5O8.Na/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);/q;+1/p-1",C24H21I6N5O8.Na,,,,,,MBVDCEVFLAONHO-UHFFFAOYSA-M,,,,,,,,,,,
100.060.336,266-390-1,66532-85-2,Propacetamol,"4-acetamidophenyl N,N-diethylglycinate",CCN(CC)CC(=O)Oc1ccc(NC(=O)C)cc1,CCN(CC)CC(=O)Oc1ccc(NC(=O)C)cc1,"InChI=1/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)",C14H20N2O3,,,,,,QTGAJCQTLIRCFL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.338,266-392-2,66533-10-6,"N-(2,3-dihydro-1-methoxy-1H-inden-2-yl)-N',N'-diethyl-N-phenylpropane-1,3-diamine fumarate","N,N-diethyl-N'-(1-methoxy-2,3-dihydro-1H-inden-2-yl)-N'-phenylpropane-1,3-diamine but-2-enedioate",CCN(CC)CCCN(C1Cc2ccccc2C1OC)c3ccccc3.OC(=O)\\C=C\\C(=O)O,CCN(CC)CCCN(C1Cc2ccccc2C1OC)c3ccccc3.OC(=O)\C=C\C(=O)O,"InChI=1/C23H32N2O.C4H4O4/c1-4-24(5-2)16-11-17-25(20-13-7-6-8-14-20)22-18-19-12-9-10-15-21(19)23(22)26-3;5-3(6)1-2-4(7)8/h6-10,12-15,22-23H,4-5,11,16-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C23H32N2O.C4H4O4,,,,,,KLPXFDKQTWVTEM-WLHGVMLRSA-N,,,,,,,,,,,
100.032.301,235-545-5,12269-82-8,"Sodium 1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-butylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,[Na+].CCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,"InChI=1/C24H22N2O5S.Na/c1-2-3-6-14-9-11-15(12-10-14)26-18-13-19(32(29,30)31)22(25)21-20(18)23(27)16-7-4-5-8-17(16)24(21)28;/h4-5,7-13,26H,2-3,6,25H2,1H3,(H,29,30,31);/q;+1/p-1",C24H22N2O5S.Na,,,,,,QUBWRMVVDDDDBG-UHFFFAOYSA-M,,,,,,,,,,,
100.032.302,235-546-0,12270-13-2,2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulphate,"2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]S(=O)(=O)OC.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C19H23N4O2S.CH3O4S,,,,,,MHOFGBJTSNWTDT-UHFFFAOYSA-M,,,,,,,,,,,
100.032.304,235-548-1,12271-95-3,Disilver tetraborate,disilver tetraborate,[Ag+].[Ag+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[Ag+].[Ag+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/2Ag.4BO3/c;;4*2-1(3)4/q2*+1;4*-3,Ag2B4O7,,,,,,RIILBQGPAZTTMI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.850,240-552-1,16491-25-1,"Hexa-2,4-dienyl propionate","hexa-2,4-dien-1-yl propionate",CC=CC=CCOC(=O)CC,CC=CC=CCOC(=O)CC,"InChI=1/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h3,5-7H,4,8H2,1-2H3",C9H14O2,,,,,,ZVBREIRNEOXCKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.851,240-553-7,16491-36-4,(Z)-hex-3-enyl butyrate,hex-3-en-1-yl butyrate,CCCC(=O)OCC\\C=C/CC,CCCC(=O)OCC\C=C/CC,"InChI=1/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3",C10H18O2,,,,,,ZCHOPXVYTWUHDS-WAYWQWQTSA-N,,,,,,,,,,,
100.036.864,240-567-3,16503-26-7,"Exo-3,3-dimethylbicyclo[2.2.1]heptan-2-ethanol","2-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethanol",CC1(C)C2CCC(C2)C1CCO,CC1(C)C2CCC(C2)C1CCO,"InChI=1/C11H20O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10,12H,3-7H2,1-2H3",C11H20O,,,,,,DUINBOMGEZFPDK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.867,240-571-5,16509-02-7,Aluminium dodecyl sulphate,-,[Al+3].CCCCCCCCCCCCOS(=O)(=O)[O-],[Al+3].CCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C12H26O4S.Al/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+3/p-1",C12H26O4S.1/3Al,,,,,,ORTMWXKTKBKYSF-UHFFFAOYSA-M,,,,,,,,,,,
100.036.870,240-574-1,16509-22-1,Copper diarsenite,copper diarsenite,[Cu+2].[O-][As]=O.[O-][As]=O,[Cu+2].[O-][As]=O.[O-][As]=O,"InChI=1/2AsHO2.Cu/c2*2-1-3;/h2*(H,2,3);/q;;+2/p-2",AsHO2.1/2Cu,,,,,,MCZOSTYOSQZBSF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.872,240-576-2,16509-77-6,2-amino-2-oxoethyl stearate,2-amino-2-oxoethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)N,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)N,"InChI=1/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22/h2-18H2,1H3,(H2,21,22)",C20H39NO3,,,,,,XDJMWTMWHKGSEB-UHFFFAOYSA-N,,,,,,,,,,,
100.031.886,235-088-1,12068-03-0,Sodium toluenesulphonate,sodium 4-methylbenzenesulfonate,[Na+].O=S([O-])(=O)c1ccc(C)cc1,[Na+].O=S([O-])(=O)c1ccc(C)cc1,"InChI=1/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",C7H8O3S.Na,,,,,,KVCGISUBCHHTDD-UHFFFAOYSA-M,,,,,,,,,,,
100.045.176,249-709-9,29593-08-6,Glycerol 4-aminobenzoate,2-hydroxy-1-(hydroxymethyl)ethyl 4-aminobenzoate,Nc1ccc(cc1)C(=O)OC(CO)CO,Nc1ccc(cc1)C(=O)OC(CO)CO,"InChI=1/C10H13NO4/c11-8-3-1-7(2-4-8)10(14)15-9(5-12)6-13/h1-4,9,12-13H,5-6,11H2",C10H13NO4,,,,,,DNWWTEIXNIQRQP-UHFFFAOYSA-N,,,,,,,,,,,
100.045.180,249-714-6,29595-46-8,Bis(allyloxy)propan-1-ol,"1,1-bis(allyloxy)propan-1-ol",CCC(O)(OCC=C)OCC=C,CCC(O)(OCC=C)OCC=C,"InChI=1/C9H16O3/c1-4-7-11-9(10,6-3)12-8-5-2/h4-5,10H,1-2,6-8H2,3H3",C9H16O3,,,,,,SZKBKSIMUIHRTI-UHFFFAOYSA-N,,,,,,,,,,,
100.045.187,249-721-4,29602-39-9,5-nitro-2-pyridylaminoethyl-2-amine,"N-(5-nitropyridin-2-yl)ethane-1,2-diamine",NCCNc1ccc(cn1)N(=O)=O,NCCNc1ccc(cn1)N(=O)=O,"InChI=1/C7H10N4O2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13/h1-2,5H,3-4,8H2,(H,9,10)",C7H10N4O2,,,,,,ODHSPTHLPCXPTL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.188,249-723-5,29602-44-6,Bis(2-hydroxyethyl) azelate,bis(2-hydroxyethyl) azelaate,OCCOC(=O)CCCCCCCC(=O)OCCO,OCCOC(=O)CCCCCCCC(=O)OCCO,"InChI=1/C13H24O6/c14-8-10-18-12(16)6-4-2-1-3-5-7-13(17)19-11-9-15/h14-15H,1-11H2",C13H24O6,,,,,,RLLLKKWXYJLXOU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.196,249-731-9,29621-55-4,4-(1-methylvinyl)cyclohex-1-ene-1-methyl formate,(4-isopropenylcyclohex-1-en-1-yl)methyl formate,CC(=C)C1CCC(=CC1)COC=O,CC(=C)C1CCC(=CC1)COC=O,"InChI=1/C11H16O2/c1-9(2)11-5-3-10(4-6-11)7-13-8-12/h3,8,11H,1,4-7H2,2H3",C11H16O2,,,,,,MMMXGGXIIWGLRU-UHFFFAOYSA-N,,,,,,,,,,,
100.045.203,249-739-2,29636-75-7,3-bromopropiophenone,1-(3-bromophenyl)propan-1-one,CCC(=O)c1cccc(Br)c1,CCC(=O)c1cccc(Br)c1,"InChI=1/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",C9H9BrO,,,,,,QSHLXVTVXQTHBS-UHFFFAOYSA-N,,,,,,,,,,,
100.045.204,249-740-8,29636-87-1,5-methyl-1H-imidazole-4-methanol,(4-methyl-1H-imidazol-5-yl)methanol,Cc1nc[nH]c1CO,Cc1nc[nH]c1CO,"InChI=1/C5H8N2O/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)",C5H8N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19005,https://echa.europa.eu/substance-information/-/substanceinfo/100.045.204,AXJZCJSXNZZMDU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.089,262-818-6,61491-92-7,2-(2-methylpropyl)-1H-imidazole,2-isobutyl-1H-imidazole,CC(C)Cc1ncc[nH]1,CC(C)Cc1ncc[nH]1,"InChI=1/C7H12N2/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H,8,9)",C7H12N2,,,,,,RFXJLECGYGFJCI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.101,262-831-7,61531-45-1,Pentyl nonan-1-oate,pentyl nonanoate,CCCCCCCCC(=O)OCCCCC,CCCCCCCCC(=O)OCCCCC,"InChI=1/C14H28O2/c1-3-5-7-8-9-10-12-14(15)16-13-11-6-4-2/h3-13H2,1-2H3",C14H28O2,,,,,,DZOQJRHASSOUOU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.107,262-838-5,61550-72-9,"4-[(2,4-dimethoxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2,4-dimethoxyphenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",COc3ccc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(OC)c3,COc3ccc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(OC)c3,"InChI=1/C18H18N4O3/c1-12-17(18(23)22(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(24-2)11-16(15)25-3/h4-11,17H,1-3H3",C18H18N4O3,,,,,,BDPUFQZQVPHSCM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.969,264-886-2,64419-24-5,"2,4-dihydroxybenzonitrile","2,4-dihydroxybenzonitrile",Oc1ccc(C#N)c(O)c1,Oc1ccc(C#N)c(O)c1,"InChI=1/C7H5NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H",C7H5NO2,,,,,,JFZAJWBGISKERI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.972,264-889-9,64423-52-5,Tribenzylphenol,"2,3,4-tribenzylphenol",Oc1ccc(Cc2ccccc2)c(Cc3ccccc3)c1Cc4ccccc4,Oc1ccc(Cc2ccccc2)c(Cc3ccccc3)c1Cc4ccccc4,"InChI=1/C27H24O/c28-27-17-16-24(18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)26(27)20-23-14-8-3-9-15-23/h1-17,28H,18-20H2",C27H24O,,,,,,XDESGXRLUIHEJT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.976,264-894-6,64426-42-2,"Thiourea, compound with (3-chloropropyl)silanetriol (1:1)",thiourea - (3-chloropropyl)silanetriol (1:1),NC(=S)N.O[Si](O)(O)CCCCl,NC(=S)N.O[Si](O)(O)CCCCl,"InChI=1/C3H9ClO3Si.CH4N2S/c4-2-1-3-8(5,6)7;2-1(3)4/h5-7H,1-3H2;(H4,2,3,4)",C3H9ClO3Si.CH4N2S,,,,,,WPIRDMLKKMFSRH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.979,264-897-2,64431-72-7,"(E)-3,7-dimethylocta-2,6-dienyl 5-oxo-DL-prolinate","3,7-dimethylocta-2,6-dien-1-yl 5-oxo-L-prolinate",CC(=CCC\\C(=C\\COC(=O)[C@@H]1CCC(=O)N1)\\C)C,CC(=CCC\C(=C\COC(=O)[C@@H]1CCC(=O)N1)\C)C,"InChI=1/C15H23NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,16,17)",C15H23NO3,,,,,,FFPMVCGLQVJUJY-SRXBQZRASA-N,,,,,,,,,,,
100.058.981,264-899-3,64431-96-5,"2,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)propane-1,3-diol]","2,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)propane-1,3-diol]",OCC(CO)(CO)NCCCNC(CO)(CO)CO,OCC(CO)(CO)NCCCNC(CO)(CO)CO,"InChI=1/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2",C11H26N2O6,,,,,,HHKZCCWKTZRCCL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.987,264-905-4,64479-84-1,1-(3-hydroxyphenyl)acetone,1-(3-hydroxyphenyl)acetone,CC(=O)Cc1cccc(O)c1,CC(=O)Cc1cccc(O)c1,"InChI=1/C9H10O2/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6,11H,5H2,1H3",C9H10O2,,,,,,HCVOPFJFJCPIPT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.991,264-910-1,64485-82-1,Ethyl (Z)-2-amino-a-(hydroxyimino)thiazol-4-acetate,"ethyl (2-amino-1,3-thiazol-4-yl)(hydroxyimino)acetate",CCOC(=O)\\C(=N/O)\\c1csc(N)n1,CCOC(=O)\C(=N/O)\c1csc(N)n1,"InChI=1/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)",C7H9N3O3S,,,,,,BTEPYCPXBCCSDL-YHYXMXQVSA-N,,,,,,,,,,,
100.058.992,264-911-7,64485-87-6,Ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate,ethyl 4-chloro-2-(methoxyimino)-3-oxobutanoate,O=C(CCl)C(=NOC)C(=O)OCC,O=C(CCl)C(=NOC)C(=O)OCC,"InChI=1/C7H10ClNO4/c1-3-13-7(11)6(9-12-2)5(10)4-8/h3-4H2,1-2H3",C7H10ClNO4,,,,,,QQTHNMBPRSXIHX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.994,264-913-8,64485-89-8,Ethyl (Z)-a-(methoxyimino)-2-(tritylamino)thiazol-4-acetate,"ethyl (methoxyimino)[2-(tritylamino)-1,3-thiazol-4-yl]acetate",CCOC(=O)\\C(=N/OC)\\c1csc(NC(c2ccccc2)(c3ccccc3)c4ccccc4)n1,CCOC(=O)\C(=N/OC)\c1csc(NC(c2ccccc2)(c3ccccc3)c4ccccc4)n1,"InChI=1/C27H25N3O3S/c1-3-33-25(31)24(30-32-2)23-19-34-26(28-23)29-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3,(H,28,29)",C27H25N3O3S,,,,,,HZUYVNWQSAISMN-KRUMMXJUSA-N,,,,,,,,,,,
100.058.997,264-916-4,64486-18-6,(Z)-2-(chloroacetamido)-a-(methoxyimino)thiazol-4-acetic acid,"{2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetic acid",CO\\N=C(/C(=O)O)\\c1csc(NC(=O)CCl)n1,CO\N=C(/C(=O)O)\c1csc(NC(=O)CCl)n1,"InChI=1/C8H8ClN3O4S/c1-16-12-6(7(14)15)4-3-17-8(10-4)11-5(13)2-9/h3H,2H2,1H3,(H,14,15)(H,10,11,13)",C8H8ClN3O4S,,,,,,JVFVSVLCXCDOPD-SDQBBNPISA-N,,,,,,,,,,,
100.055.661,261-248-5,58436-15-0,1-[(2-aminoethyl)amino]octadecan-2-ol,1-[(2-aminoethyl)amino]octadecan-2-ol,CCCCCCCCCCCCCCCCC(O)CNCCN,CCCCCCCCCCCCCCCCC(O)CNCCN,"InChI=1/C20H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-22-18-17-21/h20,22-23H,2-19,21H2,1H3",C20H44N2O,,,,,,HUUDYFZAGJOSBT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.662,261-249-0,58437-68-6,"Tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3-ol","2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)tetrahydro-2H-pyran-3-ol",CC1=CCC(CC1)C2(C)CCC(O)C(C)(C)O2,CC1=CCC(CC1)C2(C)CCC(O)C(C)(C)O2,"InChI=1/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3",C15H26O2,,,,,,WJHRAVIQWFQMKF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.422,266-485-8,66808-27-3,"D-gluconic acid, compound with 2,2'-iminobisethanol (1:1)","2,2'-iminodiethanol - D-gluconic acid (1:1)",OCCNCCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,OCCNCCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C6H12O7.C4H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;6-3-1-5-2-4-7/h2-5,7-11H,1H2,(H,12,13);5-7H,1-4H2",C6H12O7.C4H11NO2,,,,,,RLPKEZKBJIBKAG-JJKGCWMISA-N,,,,,,,,,,,
100.060.424,266-487-9,66818-21-1,"Decahydronaphthalene-1,5-diol","decahydronaphthalene-1,5-diol",OC1CCCC2C(O)CCCC12,OC1CCCC2C(O)CCCC12,"InChI=1/C10H18O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-12H,1-6H2",C10H18O2,,,,,,BABJMFGHXVXNKB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.452,261-016-3,57918-84-0,2-methyl-3-(o-tolyl)propionaldehyde,2-methyl-3-(2-methylphenyl)propanal,CC(Cc1ccccc1C)C=O,CC(Cc1ccccc1C)C=O,"InChI=1/C11H14O/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9H,7H2,1-2H3",C11H14O,,,,,,PFTIYHYMOUKOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.453,261-017-9,57931-25-6,(hexyloxy)acetic acid,(hexyloxy)acetic acid,CCCCCCOCC(=O)O,CCCCCCOCC(=O)O,"InChI=1/C8H16O3/c1-2-3-4-5-6-11-7-8(9)10/h2-7H2,1H3,(H,9,10)",C8H16O3,,,,,,HJOGHUABHYACMH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.457,261-022-6,57934-99-3,"(E)-1-(2-ethyl-6,6-dimethyl-2-cyclohexen-1-yl)-2-buten-1-one","1-(2-ethyl-6,6-dimethylcyclohex-2-en-1-yl)but-2-en-1-one",CCC1=CCCC(C)(C)C1C(=O)\\C=C\\C,CCC1=CCCC(C)(C)C1C(=O)\C=C\C,"InChI=1/C14H22O/c1-5-8-12(15)13-11(6-2)9-7-10-14(13,3)4/h5,8-9,13H,6-7,10H2,1-4H3",C14H22O,,,,,,SXTNITQLZBKANA-VMPITWQZSA-N,,,,,,,,,,,
100.055.463,261-028-9,57941-70-5,Ethyl (cyclohexyloxy)acetate,ethyl (cyclohexyloxy)acetate,CCOC(=O)COC1CCCCC1,CCOC(=O)COC1CCCCC1,"InChI=1/C10H18O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h9H,2-8H2,1H3",C10H18O3,,,,,,QTHOIRQZIDLRIC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.465,261-031-5,57943-75-6,"N,N-diethyl-4-[[2,5-dimethoxy-4-[(4-nitrophenyl)azo]phenyl]azo]aniline","4-({2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-N,N-diethylaniline",COc3cc(N=Nc1ccc(cc1)[N+]([O-])=O)c(cc3N=Nc2ccc(cc2)N(CC)CC)OC,COc3cc(N=Nc1ccc(cc1)[N+]([O-])=O)c(cc3N=Nc2ccc(cc2)N(CC)CC)OC,"InChI=1/C24H26N6O4/c1-5-29(6-2)19-11-7-17(8-12-19)25-27-21-15-24(34-4)22(16-23(21)33-3)28-26-18-9-13-20(14-10-18)30(31)32/h7-16H,5-6H2,1-4H3",C24H26N6O4,,,,,,QWXWAOYTVHNDMA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.475,261-042-5,57964-01-9,"3,3''-thiobis[4',5-bis(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol]","3,3'-sulfanediylbis(4',5-di-tert-butylbiphenyl-4-ol)",CC(C)(C)c1ccc(cc1)c2cc(Sc3cc(cc(c3O)C(C)(C)C)c4ccc(cc4)C(C)(C)C)c(O)c(c2)C(C)(C)C,CC(C)(C)c1ccc(cc1)c2cc(Sc3cc(cc(c3O)C(C)(C)C)c4ccc(cc4)C(C)(C)C)c(O)c(c2)C(C)(C)C,"InChI=1/C40H50O2S/c1-37(2,3)29-17-13-25(14-18-29)27-21-31(39(7,8)9)35(41)33(23-27)43-34-24-28(22-32(36(34)42)40(10,11)12)26-15-19-30(20-16-26)38(4,5)6/h13-24,41-42H,1-12H3",C40H50O2S,,,,,,QDJMQWBEOMKJKL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.477,261-044-6,57967-68-7,"[2a,5a(R*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol","2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol",CC1CCC2(O1)C(C)(C)CCCC2(C)O,CC1CCC2(O1)C(C)(C)CCCC2(C)O,"InChI=1/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3",C13H24O2,,,,,,LJOISVFAMDWVFA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.482,261-049-3,57967-73-4,"[2a,5ß(R*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate","2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-yl acetate",CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C,CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C,"InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3",C15H26O3,,,,,,LTAWGWRPOGXHBD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.011,264-932-1,64509-06-4,Ditetradecenyl hydrogen phosphate,ditetradec-1-en-1-yl hydrogen phosphate,OP(=O)(OC=CCCCCCCCCCCCC)OC=CCCCCCCCCCCCC,OP(=O)(OC=CCCCCCCCCCCCC)OC=CCCCCCCCCCCCC,"InChI=1/C28H55O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3,(H,29,30)",C28H55O4P,,,,,,XKSJRFAHLKESRD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.019,264-941-0,64552-26-7,"3-oxo-1,2-benzisothiazole-2(3H)-acetamide","2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide",NC(=O)CN1Sc2ccccc2C1=O,NC(=O)CN1Sc2ccccc2C1=O,"InChI=1/C9H8N2O2S/c10-8(12)5-11-9(13)6-3-1-2-4-7(6)14-11/h1-4H,5H2,(H2,10,12)",C9H8N2O2S,,,,,,DWVOOOVGVIEHIA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.021,264-943-1,64554-82-1,"Samarium, compound with zirconium (2:17)",samarium - zirconium (2:17),[Sm].[Sm].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr],[Sm].[Sm].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr].[Zr],InChI=1/2Sm.17Zr/q19*+2,Sm.Zr,,,,,,BZFLVPBQTNTPIO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.059,267-184-4,67801-64-3,2-tert-butylcyclohexyl ethyl carbonate,2-tert-butylcyclohexyl ethyl carbonate,CCOC(=O)OC1CCCCC1C(C)(C)C,CCOC(=O)OC1CCCCC1C(C)(C)C,"InChI=1/C13H24O3/c1-5-15-12(14)16-11-9-7-6-8-10(11)13(2,3)4/h10-11H,5-9H2,1-4H3",C13H24O3,,,,,,ZHWLEUGSDGROJS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.070,267-197-5,67815-68-3,2-amino-4-chloro-6-nitrophenol monohydrochloride,2-amino-4-chloro-6-nitrophenol hydrochloride,Cl.Nc1cc(Cl)cc(c1O)[N+](=O)[O-],Cl.Nc1cc(Cl)cc(c1O)[N+](=O)[O-],"InChI=1/C6H5ClN2O3.ClH/c7-3-1-4(8)6(10)5(2-3)9(11)12;/h1-2,10H,8H2;1H",C6H5ClN2O3.ClH,,,,,,RFDPPSSSVZVKQL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.340,266-394-3,66535-86-2,Lotrifen,"2-(4-chlorophenyl)[1,2,4]triazolo[5,1-a]isoquinoline",Clc1ccc(cc1)c2nc3c4ccccc4ccn3n2,Clc1ccc(cc1)c2nc3c4ccccc4ccn3n2,InChI=1/C16H10ClN3/c17-13-7-5-12(6-8-13)15-18-16-14-4-2-1-3-11(14)9-10-20(16)19-15/h1-10H,C16H10ClN3,,,,,,DGWUVKLBXCWNTA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.344,266-399-0,66543-80-4,"Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate","triisobutyl 2-acetoxypropane-1,2,3-tricarboxylate",CC(C)COC(=O)CC(CC(=O)OCC(C)C)(OC(=O)C)C(=O)OCC(C)C,CC(C)COC(=O)CC(CC(=O)OCC(C)C)(OC(=O)C)C(=O)OCC(C)C,"InChI=1/C20H34O8/c1-13(2)10-25-17(22)8-20(28-16(7)21,19(24)27-12-15(5)6)9-18(23)26-11-14(3)4/h13-15H,8-12H2,1-7H3",C20H34O8,,,,,,KCCLEAUZFNBELO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.347,266-403-0,66553-15-9,"2,3-dimethylbutane-1,2-diol","2,3-dimethylbutane-1,2-diol",CC(C)C(C)(O)CO,CC(C)C(C)(O)CO,"InChI=1/C6H14O2/c1-5(2)6(3,8)4-7/h5,7-8H,4H2,1-3H3",C6H14O2,,,,,,SQLSBTNINKQQPG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.355,266-411-4,66576-71-4,Isopropyl 2-methylbutyrate,isopropyl 2-methylbutanoate,CCC(C)C(=O)OC(C)C,CCC(C)C(=O)OC(C)C,"InChI=1/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3",C8H16O2,,,,,,DIRDKDDFAMNBNY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.357,266-414-0,66582-17-0,3-methyl-2-oxopentanenitrile,3-methyl-2-oxopentanenitrile,CCC(C)C(=O)C#N,CCC(C)C(=O)C#N,"InChI=1/C6H9NO/c1-3-5(2)6(8)4-7/h5H,3H2,1-2H3",C6H9NO,,,,,,ALRYLFIORABRTO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.364,266-421-9,66604-31-7,Chlorododecyldimethylsilane,chloro(dodecyl)dimethylsilane,CCCCCCCCCCCC[Si](C)(C)Cl,CCCCCCCCCCCC[Si](C)(C)Cl,"InChI=1/C14H31ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3",C14H31ClSi,,,,,,DLLABNOCKQMTEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.369,266-427-1,66619-55-4,"1,2,3,4-tetrahydro-2-nitronaphthalene","2-nitro-1,2,3,4-tetrahydronaphthalene",[O-][N+](=O)C1CCc2ccccc2C1,[O-][N+](=O)C1CCc2ccccc2C1,"InChI=1/C10H11NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2",C10H11NO2,,,,,,SKCPKZODKSSQJB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.038,262-762-2,61392-13-0,Potassium (Z)-9-octadecenyl phosphonate,potassium octadec-9-en-1-yl phosphonate,[K+].CCCCCCCC\\C=C/CCCCCCCCOP(=O)[O-],[K+].CCCCCCCC\C=C/CCCCCCCCOP(=O)[O-],"InChI=1/C18H37O3P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h9-10,22H,2-8,11-18H2,1H3,(H,19,20);/q;+1/p-1",C18H37O3P.K,,,,,,KHAJFQVGHVLJLI-KVVVOXFISA-M,,,,,,,,,,,
100.057.039,262-763-8,61392-14-1,Sodium octadecyl phosphonate,sodium octadecyl phosphonate,[Na+].CCCCCCCCCCCCCCCCCCOP(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCOP(=O)[O-],"InChI=1/C18H39O3P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h22H,2-18H2,1H3,(H,19,20);/q;+1/p-1",C18H39O3P.Na,,,,,,AXSZIAYNNACFQW-UHFFFAOYSA-M,,,,,,,,,,,
100.057.041,262-765-9,61397-56-6,"cis-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate","[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate",Clc1ccc(c(Cl)c1)C2(CBr)OCC(COC(=O)c3ccccc3)O2,Clc1ccc(c(Cl)c1)C2(CBr)OCC(COC(=O)c3ccccc3)O2,"InChI=1/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2",C18H15BrCl2O4,,,,,,OXUPOIXSQGXRGF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.042,262-766-4,61397-58-8,"cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol","[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol",OC[C@@H]1CO[C@](Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl,OC[C@@H]1CO[C@](Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl,"InChI=1/C14H14Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,9,11,19H,6-8H2",C14H14Cl2N2O3,,,,,,VJZJGRMLFMJRGG-BXUZGUMPSA-N,,,,,,,,,,,
100.057.044,262-769-0,61405-40-1,Tetrahydro-2-(9-tetradecenyloxy)-2H-pyran,2-(tetradec-9-en-1-yloxy)tetrahydro-2H-pyran,CCCCC=CCCCCCCCCOC1CCCCO1,CCCCC=CCCCCCCCCOC1CCCCO1,"InChI=1/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h5-6,19H,2-4,7-18H2,1H3",C19H36O2,,,,,,FUYLUCBYVQPAQH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.046,262-771-1,61413-54-5,Rolipram,4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one,COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3,COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3,"InChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)",C16H21NO3,,,,,,HJORMJIFDVBMOB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.060,262-786-3,61433-43-0,"2-[[1-hydroxy-6-(methylamino)-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid","2-{[1-hydroxy-6-(methylamino)-3-sulfo-2-naphthyl]diazenyl}naphthalene-1,5-disulfonic acid",OS(=O)(=O)c4cccc3c4ccc(N=Nc2c(cc1cc(ccc1c2O)NC)S(O)(=O)=O)c3S(O)(=O)=O,OS(=O)(=O)c4cccc3c4ccc(N=Nc2c(cc1cc(ccc1c2O)NC)S(O)(=O)=O)c3S(O)(=O)=O,"InChI=1/C21H17N3O10S3/c1-22-12-5-6-13-11(9-12)10-18(36(29,30)31)19(20(13)25)24-23-16-8-7-14-15(21(16)37(32,33)34)3-2-4-17(14)35(26,27)28/h2-10,22,25H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)",C21H17N3O10S3,,,,,,KEVWBQLRZVBFCW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.923,264-835-4,64349-34-4,2-[[[2-[(2-aminoethyl)amino]ethyl]amino]methyl]phenol,2-[({2-[(2-aminoethyl)amino]ethyl}amino)methyl]phenol,NCCNCCNCc1ccccc1O,NCCNCCNCc1ccccc1O,"InChI=1/C11H19N3O/c12-5-6-13-7-8-14-9-10-3-1-2-4-11(10)15/h1-4,13-15H,5-9,12H2",C11H19N3O,,,,,,HHBMAADIVDZLKY-UHFFFAOYSA-N,,,,,,,,,,,
100.045.207,249-743-4,29637-18-1,"4-[4-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[2-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-1-methylethylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N2/N=C(/C)C(C2=O)=C(C)C=C5Sc4ccc3ccccc3c4N5CC,OS(=O)(=O)c1ccc(cc1)N2/N=C(/C)C(C2=O)=C(C)C=C5Sc4ccc3ccccc3c4N5CC,"InChI=1/C26H23N3O4S2/c1-4-28-23(34-22-14-9-18-7-5-6-8-21(18)25(22)28)15-16(2)24-17(3)27-29(26(24)30)19-10-12-20(13-11-19)35(31,32)33/h5-15H,4H2,1-3H3,(H,31,32,33)",C26H23N3O4S2,,,,,,VFUBECKRASDZKT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.208,249-745-5,29637-28-3,"Tetrasodium 7-[(1,8-dihydroxy-3,6-disulphonato-2-naphthyl)azo]naphthalene-1,3-disulphonate","tetrasodium 7-[(1,8-dihydroxy-3,6-disulfonato-2-naphthyl)diazenyl]naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc4c(cc3cc(cc(O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc4c(cc3cc(cc(O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C20H14N2O14S4.4Na/c23-15-7-12(37(25,26)27)4-10-5-17(40(34,35)36)19(20(24)18(10)15)22-21-11-2-1-9-3-13(38(28,29)30)8-16(14(9)6-11)39(31,32)33;;;;/h1-8,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;/q;4*+1/p-4",C20H14N2O14S4.4Na,,,,,,JNWGHPWKVDMXIB-UHFFFAOYSA-J,,,,,,,,,,,
100.045.212,249-749-7,29641-53-0,"1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazolium methyl sulphate","1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-chromen-3-yl]-4-methyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",CCc1nn(nc1C)c2ccc3C=C([NH+]4CN(C)C=N4)C(=O)Oc3c2.COS(=O)(=O)[O-],CCc1nn(nc1C)c2ccc3C=C([NH+]4CN(C)C=N4)C(=O)Oc3c2.COS(=O)(=O)[O-],"InChI=1/C17H18N6O2.CH4O4S/c1-4-14-11(2)19-23(20-14)13-6-5-12-7-15(17(24)25-16(12)8-13)22-10-21(3)9-18-22;1-5-6(2,3)4/h5-9H,4,10H2,1-3H3;1H3,(H,2,3,4)",C17H17N6O2.CH3O4S,,,,,,FJFKCKQUPJGLTM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.315,238-863-2,14799-93-0,Dichloromethyloctylsilane,(dichloromethyl)(octyl)silane,CCCCCCCC[SiH2]C(Cl)Cl,CCCCCCCC[SiH2]C(Cl)Cl,"InChI=1/C9H20Cl2Si/c1-2-3-4-5-6-7-8-12-9(10)11/h9H,2-8,12H2,1H3",C9H20Cl2Si,,,,,,JDDXPHRZLYCGCC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.316,238-864-8,14799-94-1,Dichlorohexylmethylsilane,dichloro(hexyl)methylsilane,CCCCCC[Si](C)(Cl)Cl,CCCCCC[Si](C)(Cl)Cl,"InChI=1/C7H16Cl2Si/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3",C7H16Cl2Si,,,,,,KKRMHVJQWMXYBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.326,238-875-8,14806-73-6,2-[bis(2-hydroxyethyl)amino]ethyl acetate,2-[bis(2-hydroxyethyl)amino]ethyl acetate,CC(=O)OCCN(CCO)CCO,CC(=O)OCCN(CCO)CCO,"InChI=1/C8H17NO4/c1-8(12)13-7-4-9(2-5-10)3-6-11/h10-11H,2-7H2,1H3",C8H17NO4,,,,,,COYBSBIBDYUILE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.328,238-877-9,14807-96-6,Talc (Mg3H2(SiO3)4),oxosilanediol,O[Si](=O)O,O[Si](=O)O,InChI=1/H2O3Si/c1-4(2)3/h1-2H,H2O3Si.3/4Mg,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18727,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.328,IJKVHSBPTUYDLN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.331,238-881-0,14813-01-5,1-benzylpiperidin-3-ol,1-benzylpiperidin-3-ol,OC1CCCN(Cc2ccccc2)C1,OC1CCCN(Cc2ccccc2)C1,"InChI=1/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2",C12H17NO,,,,,,UTTCOAGPVHRUFO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.339,238-889-4,14816-67-2,N-[2-hydroxy-5-[1-hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulphonamide monohydrochloride,N-{2-hydroxy-5-[1-hydroxy-2-(isopropylamino)ethyl]phenyl}methanesulfonamide hydrochloride,Cl.CC(C)NCC(O)c1ccc(O)c(NS(=O)(=O)C)c1,Cl.CC(C)NCC(O)c1ccc(O)c(NS(=O)(=O)C)c1,"InChI=1/C12H20N2O4S.ClH/c1-8(2)13-7-12(16)9-4-5-11(15)10(6-9)14-19(3,17)18;/h4-6,8,12-16H,7H2,1-3H3;1H",C12H20N2O4S.ClH,,,,,,LTQWQTNRIBKUMN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.340,238-891-5,14818-97-4,(-)-N-(a-cyano-4-hydroxy-3-methoxy-a-methylphenethyl)acetamide,N-[1-cyano-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]acetamide,COc1cc(CC(C)(NC(=O)C)C#N)ccc1O,COc1cc(CC(C)(NC(=O)C)C#N)ccc1O,"InChI=1/C13H16N2O3/c1-9(16)15-13(2,8-14)7-10-4-5-11(17)12(6-10)18-3/h4-6,17H,7H2,1-3H3,(H,15,16)",C13H16N2O3,,,,,,LWNXUHPNXYVCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.343,238-894-1,14825-85-5,"9,10-bis(phenylethynyl)-9,10-dihydroanthracene-9,10-diol","9,10-bis(phenylethynyl)-9,10-dihydroanthracene-9,10-diol",OC1(C#Cc2ccccc2)c3ccccc3C(O)(C#Cc4ccccc4)c5ccccc15,OC1(C#Cc2ccccc2)c3ccccc3C(O)(C#Cc4ccccc4)c5ccccc15,"InChI=1/C30H20O2/c31-29(21-19-23-11-3-1-4-12-23)25-15-7-9-17-27(25)30(32,28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18,31-32H",C30H20O2,,,,,,QLNUHXMKEJWHAP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.344,238-895-7,14825-93-5,"N-(2,2,2-trichloro-1-hydroxyethyl)methacrylamide","2-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)acrylamide",CC(=C)C(=O)NC(O)C(Cl)(Cl)Cl,CC(=C)C(=O)NC(O)C(Cl)(Cl)Cl,"InChI=1/C6H8Cl3NO2/c1-3(2)4(11)10-5(12)6(7,8)9/h5,12H,1H2,2H3,(H,10,11)",C6H8Cl3NO2,,,,,,HYIOVDDWOCTHOG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.347,238-898-3,14834-18-5,Indium dicyanide,-,[In+3].[C-]#N.[C-]#N,[In+3].[C-]#N.[C-]#N,InChI=1/2CN.In/c2*1-2;/q2*-1;+3,C2InN2,,,,,,WYKBPSVHKLDSMP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.666,261-253-2,58437-72-2,"(Z)-2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethanol","2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethanol",CC1(C)C2CCC(C2)/C/1=C/CO,CC1(C)C2CCC(C2)/C/1=C/CO,"InChI=1/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3",C11H18O,,,,,,JGDHOHFQJJATNG-YHYXMXQVSA-N,,,,,,,,,,,
100.055.674,261-262-1,58458-13-2,2-bromo-6-(trifluoromethyl)aniline,2-bromo-6-(trifluoromethyl)aniline,Nc1c(Br)cccc1C(F)(F)F,Nc1c(Br)cccc1C(F)(F)F,"InChI=1/C7H5BrF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2",C7H5BrF3N,,,,,,BQSYRDIUPNIUGC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.677,261-265-8,58468-55-6,"3,5,6-trichloro-4-(propylthio)-2-pyridone hydrazone","3,5,6-trichloro-2-hydrazono-4-(propylsulfanyl)-1,2-dihydropyridine",ClC=1/C(/SCCC)=C(/Cl)C(=NN)NC=1Cl,ClC=1/C(/SCCC)=C(/Cl)C(=NN)NC=1Cl,"InChI=1/C8H10Cl3N3S/c1-2-3-15-6-4(9)7(11)13-8(14-12)5(6)10/h2-3,12H2,1H3,(H,13,14)",C8H10Cl3N3S,,,,,,PHWBAMXWUKSDDP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.678,261-266-3,58470-10-3,"2,4,6-tripropoxybenzaldehyde","2,4,6-tripropoxybenzaldehyde",CCCOc1cc(OCCC)c(C=O)c(OCCC)c1,CCCOc1cc(OCCC)c(C=O)c(OCCC)c1,"InChI=1/C16H24O4/c1-4-7-18-13-10-15(19-8-5-2)14(12-17)16(11-13)20-9-6-3/h10-12H,4-9H2,1-3H3",C16H24O4,,,,,,ZKEZHPWKUOFRIB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.685,261-274-7,58473-78-2,"4,4'-cyclohexylidenebis[N,N-bis(p-tolyl)aniline]","4,4'-cyclohexane-1,1-diylbis[N,N-bis(4-methylphenyl)aniline]",Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(cc3)C4(CCCCC4)c5ccc(cc5)N(c6ccc(C)cc6)c7ccc(C)cc7,Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(cc3)C4(CCCCC4)c5ccc(cc5)N(c6ccc(C)cc6)c7ccc(C)cc7,"InChI=1/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3",C46H46N2,,,,,,ZOKIJILZFXPFTO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.686,261-275-2,58473-83-9,Didecyl mercaptosuccinate,didecyl 2-sulfanylsuccinate,CCCCCCCCCCOC(=O)CC(S)C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CC(S)C(=O)OCCCCCCCCCC,"InChI=1/C24H46O4S/c1-3-5-7-9-11-13-15-17-19-27-23(25)21-22(29)24(26)28-20-18-16-14-12-10-8-6-4-2/h22,29H,3-21H2,1-2H3",C24H46O4S,,,,,,ZTQOLKPIVDWRDR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.688,261-277-3,58477-85-3,"[R-(R*,R*)]-N,N'-diallyltartaramide","N,N'-diallyl-2,3-dihydroxysuccinamide",OC(C(O)C(=O)NCC=C)C(=O)NCC=C,OC(C(O)C(=O)NCC=C)C(=O)NCC=C,"InChI=1/C10H16N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h3-4,7-8,13-14H,1-2,5-6H2,(H,11,15)(H,12,16)",C10H16N2O4,,,,,,ZRKLEAHGBNDKHM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.693,261-283-6,58480-17-4,"1,2-dimethylnaphtho[1,2-d]thiazolium toluene-p-sulphonate","1,2-dimethylnaphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].Cc2sc3ccc4ccccc4c3[n+]2C,Cc1ccc(cc1)S(=O)(=O)[O-].Cc2sc3ccc4ccccc4c3[n+]2C,"InChI=1/C13H12NS.C7H8O3S/c1-9-14(2)13-11-6-4-3-5-10(11)7-8-12(13)15-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C13H12NS.C7H7O3S,,,,,,WMJPMFYZKNZOQC-UHFFFAOYSA-M,,,,,,,,,,,
100.055.696,261-286-2,58485-25-9,4-ethyl hydrogen L-aspartate hydrochloride,2-amino-4-ethoxy-4-oxobutanoic acid hydrochloride (non-preferred name),Cl.CCOC(=O)C[C@H](N)C(=O)O,Cl.CCOC(=O)C[C@H](N)C(=O)O,"InChI=1/C6H11NO4.ClH/c1-2-11-5(8)3-4(7)6(9)10;/h4H,2-3,7H2,1H3,(H,9,10);1H",C6H11NO4.ClH,,,,,,LZHQBPWQDUZVGQ-WCCKRBBISA-N,,,,,,,,,,,
100.055.697,261-287-8,58491-62-6,"Furan-2,5-dicarbonitrile","furan-2,5-dicarbonitrile",N#Cc1oc(cc1)C#N,N#Cc1oc(cc1)C#N,InChI=1/C6H2N2O/c7-3-5-1-2-6(4-8)9-5/h1-2H,C6H2N2O,,,,,,KCSYJHQYWTYFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.171,260-707-7,57376-95-1,"Bis(2,4,6-tribromophenyl) terephthalate","bis(2,4,6-tribromophenyl) terephthalate",Brc1cc(Br)c(OC(=O)c2ccc(cc2)C(=O)Oc3c(Br)cc(Br)cc3Br)c(Br)c1,Brc1cc(Br)c(OC(=O)c2ccc(cc2)C(=O)Oc3c(Br)cc(Br)cc3Br)c(Br)c1,InChI=1/C20H8Br6O4/c21-11-5-13(23)17(14(24)6-11)29-19(27)9-1-2-10(4-3-9)20(28)30-18-15(25)7-12(22)8-16(18)26/h1-8H,C20H8Br6O4,,,,,,JYXKGBIRZSOSAP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.173,260-709-8,57378-68-4,"1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one","1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one",CC1(C)C\\C=C/C(C)C1C(=O)C=CC,CC1(C)C\C=C/C(C)C1C(=O)C=CC,"InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3",C13H20O,,,,,,XEJGJTYRUWUFFD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.174,260-710-3,57381-34-7,5-chloro-2-fluorobenzonitrile,5-chloro-2-fluorobenzonitrile,Fc1ccc(Cl)cc1C#N,Fc1ccc(Cl)cc1C#N,InChI=1/C7H3ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,C7H3ClFN,,,,,,GJNJDELEHIGPKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.189,260-727-6,57414-26-3,"Methyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-allylglycinate","methyl N-{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}-N-allylglycinate",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC(=O)OC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC(=O)OC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H21BrN6O8/c1-5-6-26(11-20(30)36-4)17-9-15(23-12(2)29)16(10-19(17)35-3)24-25-21-14(22)7-13(27(31)32)8-18(21)28(33)34/h5,7-10H,1,6,11H2,2-4H3,(H,23,29)",C21H21BrN6O8,,,,,,ZBFUAGPRXUDDAB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.082,267-210-4,67816-08-4,Iridium(3+) octanoate,iridium(3+) trioctanoate,[Ir+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Ir+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/3C8H16O2.Ir/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Ir,,,,,,LWDMDLBRQVTRMC-UHFFFAOYSA-K,,,,,,,,,,,
100.061.085,267-214-6,67816-11-9,Palladium bis(2-ethylhexanoate),palladium(2+) bis(2-ethylhexanoate),[Pd+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Pd+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Pd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Pd,,,,,,WPGIANFVQQICQL-UHFFFAOYSA-L,,,,,,,,,,,
100.061.093,267-223-5,67827-59-2,"(Z,Z)-1,1,3,3-tetrabutyl-1,3-bis[(1-oxooctadec-9-enyl)oxy]distannoxane","1,1,3,3-tetrabutyl-1,3-bis(oleoyloxy)distannoxane",CCCCCCCC\\C=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/2C18H34O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC52H102O5Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51(53)55-58(47-15-9-3,48-16-10-4)57-59(49-17-11-5,50-18-12-6)56-52(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-14-8-2/h29-32H,7-28,33-50H2,1-6H3",C52H102O5Sn2,,,,,,KYKSFHCGJXUBOI-MNHRHIJMSA-L,,,,,,,,,,,
100.061.096,267-226-1,67827-62-7,"3,3'-[[4-[(2-chloro-4,6-dinitrophenyl)azo]naphthyl]imino]bispropane-1,2-diol","3,3'-({4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-1-naphthyl}imino)dipropane-1,2-diol",Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(N(CC(O)CO)CC(O)CO)c1ccccc12)[N+]([O-])=O,Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(N(CC(O)CO)CC(O)CO)c1ccccc12)[N+]([O-])=O,"InChI=1/C22H22ClN5O8/c23-18-7-13(27(33)34)8-21(28(35)36)22(18)25-24-19-5-6-20(17-4-2-1-3-16(17)19)26(9-14(31)11-29)10-15(32)12-30/h1-8,14-15,29-32H,9-12H2",C22H22ClN5O8,,,,,,AIPKWLSKNQFYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.097,267-227-7,67827-63-8,"2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[[3-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]amino]benzoic acid","2-{[1-(4-aminophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-[(3-{[1-(4-aminophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-hydroxybenzoyl)amino]benzoic acid",Nc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2C(O)=O)NC(=O)c5cc(N=NC4C(\\C)=N/N(c3ccc(N)cc3)C4=O)c(O)cc5)C6=O,Nc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2C(O)=O)NC(=O)c5cc(N=NC4C(\C)=N/N(c3ccc(N)cc3)C4=O)c(O)cc5)C6=O,"InChI=1/C34H29N11O6/c1-17-29(32(48)44(42-17)23-9-4-20(35)5-10-23)40-38-26-13-8-22(16-25(26)34(50)51)37-31(47)19-3-14-28(46)27(15-19)39-41-30-18(2)43-45(33(30)49)24-11-6-21(36)7-12-24/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51)",C34H29N11O6,,,,,,TYTTWEGYXSNOBA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.433,266-497-3,66848-40-6,"3,5-dimethylcyclohex-3-ene-1-carbonitrile","3,5-dimethylcyclohex-3-ene-1-carbonitrile",CC1CC(CC(=C1)C)C#N,CC1CC(CC(=C1)C)C#N,"InChI=1/C9H13N/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9H,4-5H2,1-2H3",C9H13N,,,,,,PHYAMLKALRTMOP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.436,266-500-8,66857-22-5,"4-hydroxy-N,N-bis(2-hydroxyethyl)butyramide","4-hydroxy-N,N-bis(2-hydroxyethyl)butanamide",OCCCC(=O)N(CCO)CCO,OCCCC(=O)N(CCO)CCO,"InChI=1/C8H17NO4/c10-5-1-2-8(13)9(3-6-11)4-7-12/h10-12H,1-7H2",C8H17NO4,,,,,,VLVFFKKUHQEBBU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.450,266-516-5,66905-25-7,Calcium hydrogen triacetate,calcium hydrogen triacetate,[Ca+2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Ca+2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Ca/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+2/p-3",C2H4O2.1/3Ca,,,,,,DGPUYHMCOANORE-UHFFFAOYSA-K,,,,,,,,,,,
100.060.454,266-520-7,66920-75-0,4-(1-naphthyl)-3-buten-2-one,4-(1-naphthyl)but-3-en-2-one,CC(=O)C=Cc2cccc1ccccc12,CC(=O)C=Cc2cccc1ccccc12,"InChI=1/C14H12O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3",C14H12O,,,,,,OYYZOYHZDFGMKD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.461,266-528-0,66972-01-8,"(Z)-nona-1,6-dien-3-ol","nona-1,6-dien-3-ol",CC\\C=C/CCC(O)C=C,CC\C=C/CCC(O)C=C,"InChI=1/C9H16O/c1-3-5-6-7-8-9(10)4-2/h4-6,9-10H,2-3,7-8H2,1H3",C9H16O,,,,,,LVQCRSHIONXSCD-WAYWQWQTSA-N,,,,,,,,,,,
100.060.465,266-532-2,66981-75-7,"3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-amine 5,5-dioxide","3-chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-amine 5,5-dioxide",CN1c2ccccc2C(N)c3ccc(Cl)cc3S1(=O)=O,CN1c2ccccc2C(N)c3ccc(Cl)cc3S1(=O)=O,"InChI=1/C14H13ClN2O2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,16H2,1H3",C14H13ClN2O2S,,,,,,IGSJOGMOHGCKOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.495,261-064-5,57987-77-6,"7,8-dichloro-1,2,3,4-tetrahydroisoquinolinium chloride","7,8-dichloro-1,2,3,4-tetrahydroisoquinolinium chloride",[Cl-].Clc1ccc2CC[NH2+]Cc2c1Cl,[Cl-].Clc1ccc2CC[NH2+]Cc2c1Cl,"InChI=1/C9H9Cl2N.ClH/c10-8-2-1-6-3-4-12-5-7(6)9(8)11;/h1-2,12H,3-5H2;1H",C9H9Cl2N.ClH,,,,,,MPGYNUDLCXDURR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.497,261-066-6,57988-60-0,4-(p-tolyl)piperidin-4-ol,4-(4-methylphenyl)piperidin-4-ol,Cc1ccc(cc1)C2(O)CCNCC2,Cc1ccc(cc1)C2(O)CCNCC2,"InChI=1/C12H17NO/c1-10-2-4-11(5-3-10)12(14)6-8-13-9-7-12/h2-5,13-14H,6-9H2,1H3",C12H17NO,,,,,,MEFDFYOJQUOHCR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.941,264-855-3,64375-26-4,"2,2,3,3-tetrafluoro-1,1-dimethylpropyl methacrylate","2,2,3,3-tetrafluoro-1,1-dimethylpropyl methacrylate",CC(=C)C(=O)OC(C)(C)C(F)(F)C(F)F,CC(=C)C(=O)OC(C)(C)C(F)(F)C(F)F,"InChI=1/C9H12F4O2/c1-5(2)6(14)15-8(3,4)9(12,13)7(10)11/h7H,1H2,2-4H3",C9H12F4O2,,,,,,SXLLWDJFRZODKV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.943,264-857-4,64381-97-1,"N,N,N'-tris(1-methylpropyl)benzene-1,4-diamine","N,N,N'-tri-sec-butylbenzene-1,4-diamine",CCC(C)Nc1ccc(cc1)N(C(C)CC)C(C)CC,CCC(C)Nc1ccc(cc1)N(C(C)CC)C(C)CC,"InChI=1/C18H32N2/c1-7-14(4)19-17-10-12-18(13-11-17)20(15(5)8-2)16(6)9-3/h10-16,19H,7-9H2,1-6H3",C18H32N2,,,,,,QPTPXMZPICHZRY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.951,264-866-3,64394-28-1,"Octahydro-7,7,8a-trimethyl-2H-benzo[3,4]cyclobuta[1,2-b]pyran-5(8H)-one","7,7,8a-trimethyloctahydro-2H-benzo[3,4]cyclobuta[1,2-b]pyran-5(4bH)-one",CC1(C)CC(=O)C2C3CCCOC3C2(C)C1,CC1(C)CC(=O)C2C3CCCOC3C2(C)C1,"InChI=1/C14H22O2/c1-13(2)7-10(15)11-9-5-4-6-16-12(9)14(11,3)8-13/h9,11-12H,4-8H2,1-3H3",C14H22O2,,,,,,ZIUGINIKYGIHEP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.957,264-873-1,64407-99-4,Magnesium L-glutamate (1:1),magnesium 2-aminopentanedioate,[MgH2].N[C@@H](CCC(=O)[O-])C(=O)[O-],[MgH2].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.Mg.2H/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;;/q;+2;;/p-2/rC5H9NO4.H2Mg/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2/q;+2/p-2",C5H9NO4.Mg,,,,,,NHLYGGRMRBRTOE-LHWPGRLPSA-L,,,,,,,,,,,
100.058.962,264-878-9,64415-12-9,Ethyl 4-chloro-2-[4-(fluorosulphonyl)phenyl]quinoline-6-carboxylate,ethyl 4-chloro-2-[4-(fluorosulfonyl)phenyl]quinoline-6-carboxylate,CCOC(=O)c1ccc2nc(cc(Cl)c2c1)c3ccc(cc3)S(=O)(=O)F,CCOC(=O)c1ccc2nc(cc(Cl)c2c1)c3ccc(cc3)S(=O)(=O)F,"InChI=1/C18H13ClFNO4S/c1-2-25-18(22)12-5-8-16-14(9-12)15(19)10-17(21-16)11-3-6-13(7-4-11)26(20,23)24/h3-10H,2H2,1H3",C18H13ClFNO4S,,,,,,IAEGOMJZXABRBV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.625,261-208-7,58306-87-9,Sodium 6-aminonaphthalene-1-sulphonate,sodium 6-aminonaphthalene-1-sulfonate,[Na+].Nc1ccc2c(cccc2c1)S(=O)(=O)[O-],[Na+].Nc1ccc2c(cccc2c1)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,CFJQFOPBGQHQKD-UHFFFAOYSA-M,,,,,,,,,,,
100.055.626,261-209-2,58307-97-4,(oxydiethylene)bis[bis(2-hydroxyethyl)sulphonium] bis(toluene-p-sulphonate),"(oxydiethane-2,1-diyl)bis[bis(2-hydroxyethyl)sulfonium] bis(4-methylbenzenesulfonate)",Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].OCC[S+](CCO)CCOCC[S+](CCO)CCO,Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].OCC[S+](CCO)CCOCC[S+](CCO)CCO,"InChI=1/C12H28O5S2.2C7H8O3S/c13-1-7-18(8-2-14)11-5-17-6-12-19(9-3-15)10-4-16;2*1-6-2-4-7(5-3-6)11(8,9)10/h13-16H,1-12H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2",C12H28O5S2.2C7H7O3S,,,,,,CHSPKBBITUDSCJ-UHFFFAOYSA-L,,,,,,,,,,,
100.055.633,261-217-6,58338-68-4,Tetradec-2-enylsuccinic acid,tetradec-2-en-1-ylsuccinic acid,OC(=O)C(CC=CCCCCCCC)(CC=CCCCCCCC)C(CC=CCCCCCCC)(CC=CCCCCCCC)C(O)=O,OC(=O)C(CC=CCCCCCCC)(CC=CCCCCCCC)C(CC=CCCCCCCC)(CC=CCCCCCCC)C(O)=O,"InChI=1/C44H78O4/c1-5-9-13-17-21-25-29-33-37-43(41(45)46,38-34-30-26-22-18-14-10-6-2)44(42(47)48,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h29-36H,5-28,37-40H2,1-4H3,(H,45,46)(H,47,48)",C18H32O4,,,,,,QPQCYYLZXOECHA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.642,261-227-0,58371-98-5,"3,5-dichloropentan-2-one","3,5-dichloropentan-2-one",CC(=O)C(Cl)CCCl,CC(=O)C(Cl)CCCl,"InChI=1/C5H8Cl2O/c1-4(8)5(7)2-3-6/h5H,2-3H2,1H3",C5H8Cl2O,,,,,,NOSBOKVYSXXKFL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.649,261-234-9,58394-64-2,Benzyl 2-ethylhexyl adipate,benzyl 2-ethylhexyl adipate,CCCCC(CC)COC(=O)CCCCC(=O)OCc1ccccc1,CCCCC(CC)COC(=O)CCCCC(=O)OCc1ccccc1,"InChI=1/C21H32O4/c1-3-5-11-18(4-2)16-24-20(22)14-9-10-15-21(23)25-17-19-12-7-6-8-13-19/h6-8,12-13,18H,3-5,9-11,14-17H2,1-2H3",C21H32O4,,,,,,OOUQSWGHJPCRLI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.658,261-244-3,58429-86-0,Strontium(2+) octanoate,strontium dioctanoate,[Sr+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Sr+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/2C8H16O2.Sr/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Sr,,,,,,YQZLOQWDIAWFTG-UHFFFAOYSA-L,,,,,,,,,,,
100.055.129,260-660-2,57276-08-1,"[1a,2ß(E),4a]-4-bicyclo[2.2.1]hept-5-en-2-yl-3-buten-2-one",4-bicyclo[2.2.1]hept-5-en-2-ylbut-3-en-2-one,CC(=O)C=CC1CC2CC1C=C2,CC(=O)C=CC1CC2CC1C=C2,"InChI=1/C11H14O/c1-8(12)2-4-10-6-9-3-5-11(10)7-9/h2-5,9-11H,6-7H2,1H3",C11H14O,,,,,,PJNSTJMFXBGTIM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.133,260-664-4,57282-49-2,L-lysine monoacetate,L-lysine acetate,CC(=O)O.NCCCC[C@H](N)C(=O)O,CC(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C6H14N2O2.C2H4O2/c7-4-2-1-3-5(8)6(9)10;1-2(3)4/h5H,1-4,7-8H2,(H,9,10);1H3,(H,3,4)",C6H14N2O2.C2H4O2,,,,,,RRNJROHIFSLGRA-JEDNCBNOSA-N,,,,,,,,,,,
100.055.143,260-675-4,57319-65-0,6-aminophthalide,6-amino-2-benzofuran-1(3H)-one,Nc1ccc2COC(=O)c2c1,Nc1ccc2COC(=O)c2c1,"InChI=1/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4,9H2",C8H7NO2,,,,,,ZIJZDNKZJZUROE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.352,238-903-9,14840-89-2,"2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene","2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene",CC1C\\C=C/C(C)CC2OC2C(C)C\\C=C/1,CC1C\C=C/C(C)CC2OC2C(C)C\C=C/1,"InChI=1/C15H24O/c1-11-6-4-8-12(2)10-14-15(16-14)13(3)9-5-7-11/h4-5,7-8,11-15H,6,9-10H2,1-3H3",C15H24O,,,,,,QPNXWGRYYRSVET-ZQFNYFPESA-N,,,,,,,,,,,
100.035.357,238-909-1,14847-56-4,"2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)cc3,[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)cc3,"InChI=1/C16H13N5O4/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22/h2-9,15,22H,1H3",C16H13N5O4,,,,,,ZAIHMYMWUJGVFK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.359,238-911-2,14849-23-1,"2,2'-[ethylenebis(oxy)]bis[1,3,2-dioxarsolane]","2,2'-[ethane-1,2-diylbis(oxy)]bis(1,3,2-dioxarsolane)",C(CO[As]1OCCO1)O[As]2OCCO2,C(CO[As]1OCCO1)O[As]2OCCO2,InChI=1/C6H12As2O6/c1-2-10-7(9-1)13-5-6-14-8-11-3-4-12-8/h1-6H2,C6H12As2O6,,,,,,AZWNTBMEQZJXCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.820,233-916-6,10433-52-0,O-benzyl-D-serine,O-benzylserine,N[C@H](COCc1ccccc1)C(=O)O,N[C@H](COCc1ccccc1)C(=O)O,"InChI=1/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",C10H13NO3,,,,,,IDGQXGPQOGUGIX-SECBINFHSA-N,,,,,,,,,,,
100.030.823,233-919-2,10435-55-9,4-ethoxysalicylic acid,4-ethoxy-2-hydroxybenzoic acid,CCOc1ccc(C(=O)O)c(O)c1,CCOc1ccc(C(=O)O)c(O)c1,"InChI=1/C9H10O4/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,10H,2H2,1H3,(H,11,12)",C9H10O4,,,,,,DVZPQHRWOUXUPU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.824,233-920-8,10436-39-2,"1,1,2,3-tetrachloropropene","1,1,2,3-tetrachloroprop-1-ene",ClCC(=C(Cl)Cl)Cl,ClCC(=C(Cl)Cl)Cl,InChI=1/C3H2Cl4/c4-1-2(5)3(6)7/h1H2,C3H2Cl4,,,,,,UMGQVBVEWTXECF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.831,233-928-1,10443-65-9,2-bromoacrylic acid,2-bromoacrylic acid,OC(=O)C(=C)Br,OC(=O)C(=C)Br,"InChI=1/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)",C3H3BrO2,,,,,,HMENQNSSJFLQOP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.835,233-932-3,10448-26-7,Hexyl decanoate,hexyl decanoate,CCCCCCCCCC(=O)OCCCCCC,CCCCCCCCCC(=O)OCCCCCC,"InChI=1/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3",C16H32O2,,,,,,DGPNTCACXCHFDI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.836,233-933-9,10449-66-8,5-methoxyfuran-2(5H)-one,5-methoxyfuran-2(5H)-one,COC1OC(=O)C=C1,COC1OC(=O)C=C1,"InChI=1/C5H6O3/c1-7-5-3-2-4(6)8-5/h2-3,5H,1H3",C5H6O3,,,,,,LRHFWTSUYLXTPU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.838,233-936-5,10450-55-2,Iron di(acetate) hydroxide,iron(3+) hydroxide diacetate,CC(=O)O[Fe](O)OC(=O)C,CC(=O)O[Fe](O)OC(=O)C,"InChI=1/2C2H4O2.Fe.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3/rC4H7FeO5/c1-3(6)9-5(8)10-4(2)7/h8H,1-2H3",C4H7FeO5,,,,,,VYMHFSZGDLIMMG-UHFFFAOYSA-K,,,,,,,,,,,
100.030.840,233-938-6,10450-69-8,Trimethyloleylammonium chloride,"N,N,N-trimethyloctadec-9-en-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](C)(C)C,[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(C)C,"InChI=1/C21H44N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h12-13H,5-11,14-21H2,1-4H3;1H/q+1;/p-1",C21H44N.Cl,,,,,,HVLUSYMLLVVXGI-USGGBSEESA-M,,,,,,,,,,,
100.030.841,233-939-1,10451-12-4,"Phosphoric acid, mercury salt",mercury hydrogen phosphate,[Hg].OP(O)(O)=O,[Hg].OP(O)(O)=O,"InChI=1/Hg.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;",H3O4P.xHg,,,,,,JZSOKBUESOKIGW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.843,233-941-2,10453-89-1,Chrysanthemic acid,"2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid",CC(=CC1C(C(=O)O)C1(C)C)C,CC(=CC1C(C(=O)O)C1(C)C)C,"InChI=1/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)",C10H16O2,,,,,,XLOPRKKSAJMMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.846,233-944-9,10458-14-7,p-menthan-3-one,2-isopropyl-5-methylcyclohexanone,CC(C)C1CCC(C)CC1=O,CC(C)C1CCC(C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,NFLGAXVYCFJBMK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.848,233-947-5,10463-02-2,"Ethyl 2-(2,4,5-trichlorophenoxy)propionate","ethyl 2-(2,4,5-trichlorophenoxy)propanoate",CCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C11H11Cl3O3/c1-3-16-11(15)6(2)17-10-5-8(13)7(12)4-9(10)14/h4-6H,3H2,1-2H3",C11H11Cl3O3,,,,,,KPHBYKLGXIRBSS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.864,233-964-8,10473-14-0,3-methyl-3-buten-2-ol,3-methylbut-3-en-2-ol,CC(O)C(=C)C,CC(O)C(=C)C,"InChI=1/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3",C5H10O,,,,,,JEYLKNVLTAPJAF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.867,233-967-4,10475-46-4,2-naphthyl methacrylate,2-naphthyl methacrylate,CC(=C)C(=O)Oc1ccc2ccccc2c1,CC(=C)C(=O)Oc1ccc2ccccc2c1,"InChI=1/C14H12O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1H2,2H3",C14H12O2,,,,,,CXOYJPWMGYDJNW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.190,260-728-1,57414-42-3,"N,N'-bis(3,4-dicyanophenyl)sebacamide","N,N'-bis(3,4-dicyanophenyl)decanediamide",O=C(CCCCCCCCC(=O)Nc1ccc(C#N)c(c1)C#N)Nc2ccc(C#N)c(c2)C#N,O=C(CCCCCCCCC(=O)Nc1ccc(C#N)c(c1)C#N)Nc2ccc(C#N)c(c2)C#N,"InChI=1/C26H24N6O2/c27-15-19-9-11-23(13-21(19)17-29)31-25(33)7-5-3-1-2-4-6-8-26(34)32-24-12-10-20(16-28)22(14-24)18-30/h9-14H,1-8H2,(H,31,33)(H,32,34)",C26H24N6O2,,,,,,NSKQFRRGJXVKEE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.195,260-734-4,57432-61-8,Methylergometrine maleate,"N-[1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide but-2-enedioate (salt)",OC(=O)C=CC(O)=O.OC[C@H](CC)NC(=O)[C@@H]2/C=C1/c3cccc4ncc(C[C@H]1N(C)C2)c34,OC(=O)C=CC(O)=O.OC[C@H](CC)NC(=O)[C@@H]2/C=C1/c3cccc4ncc(C[C@H]1N(C)C2)c34,"InChI=1/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)",C20H25N3O2.C4H4O4,,,,,,NOFOWWRHEPHDCY-BZEWFBLPSA-N,,,,,,,,,,,
100.055.198,260-738-6,57444-71-0,Disodium N-[4-(methylamino)benzoyl]-L-glutamate,disodium 2-{[4-(methylamino)benzoyl]amino}pentanedioate,[Na+].[Na+].CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C13H16N2O5.2Na/c1-14-9-4-2-8(3-5-9)12(18)15-10(13(19)20)6-7-11(16)17;;/h2-5,10,14H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20);;/q;2*+1/p-2",C13H16N2O5.2Na,,,,,,MVMGRIDGISTMDP-XRIOVQLTSA-L,,,,,,,,,,,
100.055.200,260-740-7,57450-55-2,"1-chloro-4-methyldibenzo[b,e]thiin-10-one",1-chloro-4-methyl-9H-thioxanthen-9-one,Cc1ccc(Cl)c2C(=O)c3ccccc3Sc12,Cc1ccc(Cl)c2C(=O)c3ccccc3Sc12,"InChI=1/C14H9ClOS/c1-8-6-7-10(15)12-13(16)9-4-2-3-5-11(9)17-14(8)12/h2-7H,1H3",C14H9ClOS,,,,,,CEZJUBYDGRMXGE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.201,260-741-2,57452-31-0,"(±)-2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1a]isoquinolin-4-one","2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one",O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2,O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2,"InChI=1/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2",C19H24N2O2,,,,,,FSVJFNAIGNNGKK-UHFFFAOYSA-N,Positive,AU220201|AU220202|AU220203|AU220204|AU220205;EQ327201|EQ327202|EQ327203|EQ327204|EQ327205|EQ327206,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,313.1938:314.1966:203.1193|203.1192:313.1931:204.122|203.1191:174.0922:132.0812|174.0921:132.0811:203.1188|132.0811:174.0921:146.0967;313.1909:203.1177:83.0853|203.1176:83.0855:313.1908|83.0855:203.1177:174.0913|83.0855:174.0913:132.0807|83.0855:132.0808:174.0913|132.0807:83.0855:129.0698,Athens_Univ;Eawag,,,,,
100.055.214,260-755-9,57474-29-0,Nifuroquine,4-(5-nitro-2-furyl)quinoline-2-carboxylic acid 1-oxide,OC(=O)c1cc(c2oc(cc2)[N+](=O)[O-])c3ccccc3[n+]1[O-],OC(=O)c1cc(c2oc(cc2)[N+](=O)[O-])c3ccccc3[n+]1[O-],"InChI=1/C14H8N2O6/c17-14(18)11-7-9(12-5-6-13(22-12)16(20)21)8-3-1-2-4-10(8)15(11)19/h1-7H,(H,17,18)",C14H8N2O6,,,,,,HOWCLZBHAPFFAN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.215,260-756-4,57475-09-9,"Ethyl [(1,1-dimethylethyl)sulphinyl]acetate",ethyl (tert-butylsulfinyl)acetate,CCOC(=O)CS(=O)C(C)(C)C,CCOC(=O)CS(=O)C(C)(C)C,"InChI=1/C8H16O3S/c1-5-11-7(9)6-12(10)8(2,3)4/h5-6H2,1-4H3",C8H16O3S,,,,,,NKRYSBVVONAQKD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.114,262-845-3,61565-19-3,5-(1-ethoxyethoxy)pent-1-yne,5-(1-ethoxyethoxy)pent-1-yne,CCOC(C)OCCCC#C,CCOC(C)OCCCC#C,"InChI=1/C9H16O2/c1-4-6-7-8-11-9(3)10-5-2/h1,9H,5-8H2,2-3H3",C9H16O2,,,,,,NLFPIKUDKBJDMY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.750,264-644-6,64051-79-2,Piperidine-3-ol hydrochloride,piperidin-3-ol hydrochloride,Cl.OC1CCCNC1,Cl.OC1CCCNC1,"InChI=1/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H",C5H11NO.ClH,,,,,,VLECDMDGMKPUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.760,264-655-6,64071-85-8,3-[[4-[(2-bromo-4-nitrophenyl)azo]phenyl](2-phenylethyl)amino]propiononitrile,3-[{4-[(2-bromo-4-nitrophenyl)diazenyl]phenyl}(2-phenylethyl)amino]propanenitrile,Brc3cc(ccc3N=Nc1ccc(cc1)N(CCC#N)CCc2ccccc2)[N+]([O-])=O,Brc3cc(ccc3N=Nc1ccc(cc1)N(CCC#N)CCc2ccccc2)[N+]([O-])=O,"InChI=1/C23H20BrN5O2/c24-22-17-21(29(30)31)11-12-23(22)27-26-19-7-9-20(10-8-19)28(15-4-14-25)16-13-18-5-2-1-3-6-18/h1-3,5-12,17H,4,13,15-16H2",C23H20BrN5O2,,,,,,ZAHBEAVYBXUUQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.761,264-656-1,64071-86-9,"2,5-dimethoxy-4-[(4-nitrophenyl)azo]benzenediazonium tetrachlorozincate (2:1)","bis{2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]benzenediazonium} tetrachlorozincate(2-)",COc2cc([N+]#N)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)OC.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c1ccc(cc1)N=Nc2cc(OC)c([N+]#N)cc2OC,COc2cc([N+]#N)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)OC.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c1ccc(cc1)N=Nc2cc(OC)c([N+]#N)cc2OC,"InChI=1/2C14H12N5O4.4ClH.Zn/c2*1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21;;;;;/h2*3-8H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H12N5O4.Cl4Zn/c2*1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21;1-5(2,3)4/h2*3-8H,1-2H3;/q2*+1;-2",C14H12N5O4.1/2Cl4Zn,,,,,,NZWZSUSPTZUGNN-UHFFFAOYSA-J,,,,,,,,,,,
100.058.764,264-659-8,64080-43-9,"1,1,2,3,3-pentafluoro-3-[(trifluorovinyl)oxy]propene","1,1,2,3,3-pentafluoro-3-[(trifluorovinyl)oxy]prop-1-ene",FC(=C(F)OC(F)(F)C(=C(F)F)F)F,FC(=C(F)OC(F)(F)C(=C(F)F)F)F,"InChI=1/C5F8O/c6-1(2(7)8)5(12,13)14-4(11)3(9)10",C5F8O,,,,,,NKCGXGYJCHOICG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.766,264-661-9,64084-45-3,But-3-enyl hydrogen adipate,6-(but-3-en-1-yloxy)-6-oxohexanoic acid,OC(=O)CCCCC(=O)OCCC=C,OC(=O)CCCCC(=O)OCCC=C,"InChI=1/C10H16O4/c1-2-3-8-14-10(13)7-5-4-6-9(11)12/h2H,1,3-8H2,(H,11,12)",C10H16O4,,,,,,RWHWZXLJKRPBQG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.499,261-068-7,57999-64-1,"1-ethoxy-1,1-dimethoxyethane","1-ethoxy-1,1-dimethoxyethane",CCOC(C)(OC)OC,CCOC(C)(OC)OC,"InChI=1/C6H14O3/c1-5-9-6(2,7-3)8-4/h5H2,1-4H3",C6H14O3,,,,,,FUVBCRDNMUXWFH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.128,262-861-0,61593-21-3,"4,4'-decylidenebisphenol","4,4'-decane-1,1-diyldiphenol",CCCCCCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,CCCCCCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C22H30O2/c1-2-3-4-5-6-7-8-9-22(18-10-14-20(23)15-11-18)19-12-16-21(24)17-13-19/h10-17,22-24H,2-9H2,1H3",C22H30O2,,,,,,ICYDRUIZSPKQOH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.130,262-863-1,61596-15-4,"(Z)-1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate","1-ethyl-2-heptadec-8-en-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCC\\C=C/CCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],"InChI=1/C24H47N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27;1-2-6-7(3,4)5/h11-12,27H,3-10,13-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C24H47N2O.C2H5O4S,,,,,,JPBSKTZADDYQLF-AFEZEDKISA-M,,,,,,,,,,,
100.057.133,262-866-8,61605-46-7,"2-amino-1,5-dihydro-1-octyl-4H-imidazol-4-one","2-amino-1-octyl-1,5-dihydro-4H-imidazol-4-one",CCCCCCCCN1CC(=O)N=C1N,CCCCCCCCN1CC(=O)N=C1N,"InChI=1/C11H21N3O/c1-2-3-4-5-6-7-8-14-9-10(15)13-11(14)12/h2-9H2,1H3,(H2,12,13,15)",C11H21N3O,,,,,,HMKMXUPKLKKQOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.134,262-867-3,61607-66-7,(6R-trans)-7-amino-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CN(C)CCn1nnnc1SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O,CN(C)CCn1nnnc1SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O,"InChI=1/C13H19N7O3S2/c1-18(2)3-4-19-13(15-16-17-19)25-6-7-5-24-11-8(14)10(21)20(11)9(7)12(22)23/h8,11H,3-6,14H2,1-2H3,(H,22,23)",C13H19N7O3S2,,,,,,GXYPNLAGPFOZBS-KWQFWETISA-N,,,,,,,,,,,
100.057.138,262-872-0,61617-00-3,"1,3-dihydro-4(or 5)-methyl-2H-benzimidazole-2-thione, zinc salt","zinc 4-methyl-2-thioxo-2,3-dihydrobenzimidazol-1-ide 7-methyl-2-thioxo-2,3-dihydrobenzimidazol-1-ide",[Zn+2].Cc1cccc2[N-]C(=S)Nc12.Cc3cccc4NC(=S)[N-]c34,[Zn+2].Cc1cccc2[N-]C(=S)Nc12.Cc3cccc4NC(=S)[N-]c34,"InChI=1/2C8H8N2S.Zn/c2*1-5-3-2-4-6-7(5)10-8(11)9-6;/h2*2-4H,1H3,(H2,9,10,11);/q;;+2/p-2",C8H8N2S.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15891,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.138,GHPJYLIEFFVDGR-UHFFFAOYSA-L,,,,,,,,,,,
100.057.143,262-877-8,61630-26-0,6-(acryloyloxy)hexyl o-benzoylbenzoate,6-(acryloyloxy)hexyl 2-benzoylbenzoate,C=CC(=O)OCCCCCCOC(=O)c1ccccc1C(=O)c2ccccc2,C=CC(=O)OCCCCCCOC(=O)c1ccccc1C(=O)c2ccccc2,"InChI=1/C23H24O5/c1-2-21(24)27-16-10-3-4-11-17-28-23(26)20-15-9-8-14-19(20)22(25)18-12-6-5-7-13-18/h2,5-9,12-15H,1,3-4,10-11,16-17H2",C23H24O5,,,,,,JBYFBBJPUAPECR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.144,262-878-3,61631-90-1,6-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2-sulphonic acid,6-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid,Oc3ccc(cc3N=Nc2c(cc1ccc(N)cc1c2O)S(O)(=O)=O)[N+]([O-])=O,Oc3ccc(cc3N=Nc2c(cc1ccc(N)cc1c2O)S(O)(=O)=O)[N+]([O-])=O,"InChI=1/C16H12N4O7S/c17-9-2-1-8-5-14(28(25,26)27)15(16(22)11(8)6-9)19-18-12-7-10(20(23)24)3-4-13(12)21/h1-7,21-22H,17H2,(H,25,26,27)",C16H12N4O7S,,,,,,QVWPGFYTJMFGAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.153,262-888-8,61670-11-9,"4-hydroxy-5-[(2-hydroxynaphthyl)azo]-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","4-hydroxy-5-[(2-hydroxy-1-naphthyl)diazenyl]-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Oc5c(cc(cc5N=Nc4c(cc3cc(cc(N=Nc1c2ccccc2ccc1O)c3c4O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)[N+]([O-])=O,Oc5c(cc(cc5N=Nc4c(cc3cc(cc(N=Nc1c2ccccc2ccc1O)c3c4O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)[N+]([O-])=O,"InChI=1/C26H17N5O14S3/c32-20-6-5-12-3-1-2-4-16(12)23(20)29-27-17-9-14(46(37,38)39)7-13-8-21(48(43,44)45)24(26(34)22(13)17)30-28-18-10-15(47(40,41)42)11-19(25(18)33)31(35)36/h1-11,32-34H,(H,37,38,39)(H,40,41,42)(H,43,44,45)",C26H17N5O14S3,,,,,,YGQOEPLGJKWCPD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.154,262-889-3,61670-15-3,"Benzo[b]thiophene-3-ol 1,1-dioxide","1-benzothiophene-3-ol 1,1-dioxide",OC1=CS(=O)(=O)c2ccccc12,OC1=CS(=O)(=O)c2ccccc12,"InChI=1/C8H6O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-5,9H",C8H6O3S,,,,,,ZJQZMNWBIAVMJK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.031,264-954-1,64601-08-7,"4-chloro-m-cresol, compound with 2-aminoethanol (1:1)",2-aminoethanol - 4-chloro-3-methylphenol (1:1),Cc1cc(O)ccc1Cl.NCCO,Cc1cc(O)ccc1Cl.NCCO,"InChI=1/C7H7ClO.C2H7NO/c1-5-4-6(9)2-3-7(5)8;3-1-2-4/h2-4,9H,1H3;4H,1-3H2",C7H7ClO.C2H7NO,,,,,,RXFLYPUDCMOKHW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.036,264-959-9,64601-14-5,"Decanoic acid, compound with 2,2'-iminodiethanol (1:1)","decanoic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCCCC(=O)O.OCCNCCO,CCCCCCCCCC(=O)O.OCCNCCO,"InChI=1/C10H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10(11)12;6-3-1-5-2-4-7/h2-9H2,1H3,(H,11,12);5-7H,1-4H2",C10H20O2.C4H11NO2,,,,,,ZCNCBFKBQRZZFC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.039,264-963-0,64603-91-4,Gaboxadol,"4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-6-ium-3-olate",[O-]c1noc2C[NH2+]CCc12,[O-]c1noc2C[NH2+]CCc12,"InChI=1/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)",C6H8N2O2,,,,,,ZXRVKCBLGJOCEE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.144,260-677-5,57320-90-8,(6R-trans)-7-(acetylphenoxyamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[acetyl(phenoxy)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)N(Oc1ccccc1)[C@@H]2[C@@H]3SCC(=C(N3C2=O)C(=O)O)C,CC(=O)N(Oc1ccccc1)[C@@H]2[C@@H]3SCC(=C(N3C2=O)C(=O)O)C,"InChI=1/C16H16N2O5S/c1-9-8-24-15-13(14(20)17(15)12(9)16(21)22)18(10(2)19)23-11-6-4-3-5-7-11/h3-7,13,15H,8H2,1-2H3,(H,21,22)",C16H16N2O5S,,,,,,FMCDRFFHZRDWTJ-ZFWWWQNUSA-N,,,,,,,,,,,
100.055.145,260-678-0,57321-10-5,"44-(nonylphenoxy)-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontanol","44-(2-nonylphenoxy)-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol",CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C45H84O16/c1-2-3-4-5-6-7-8-11-44-12-9-10-13-45(44)61-43-42-60-41-40-59-39-38-58-37-36-57-35-34-56-33-32-55-31-30-54-29-28-53-27-26-52-25-24-51-23-22-50-21-20-49-19-18-48-17-16-47-15-14-46/h9-10,12-13,46H,2-8,11,14-43H2,1H3",C45H84O16,,,,,,AIVWIYIHAXBGHP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.148,260-681-7,57328-14-0,N-(1H-tetrazol-5-yl)phthalimide,"2-(1H-tetrazol-5-yl)-1H-isoindole-1,3(2H)-dione",O=C1N(C(=O)c2ccccc12)c3nnn[nH]3,O=C1N(C(=O)c2ccccc12)c3nnn[nH]3,"InChI=1/C9H5N5O2/c15-7-5-3-1-2-4-6(5)8(16)14(7)9-10-12-13-11-9/h1-4H,(H,10,11,12,13)",C9H5N5O2,,,,,,VZAWSUSSSSJKNW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.166,260-701-4,57365-08-9,2-amino-N-cyclohexyl-N-methylbenzylamine,2-{[cyclohexyl(methyl)amino]methyl}aniline,CN(Cc1ccccc1N)C2CCCCC2,CN(Cc1ccccc1N)C2CCCCC2,"InChI=1/C14H22N2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h5-7,10,13H,2-4,8-9,11,15H2,1H3",C14H22N2,,,,,,MTVBBLNLYSYKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.070,262-797-3,61444-38-0,(Z)-hex-3-enyl (Z)-hex-3-enoate,hex-3-en-1-yl hex-3-enoate,CC\\C=C/CCOC(=O)C\\C=C/CC,CC\C=C/CCOC(=O)C\C=C/CC,"InChI=1/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3",C12H20O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11788,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.070,UZJQQWFHPLYECS-SFECMWDFSA-N,,,,,,,,,,,
100.057.081,262-809-7,61470-70-0,"[3-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl]azo]phenyl]phosphonic acid","{3-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]phenyl}phosphonic acid",O=C2/C(=C(/C)\\C(\\N=Nc1cccc(c1)P(O)(O)=O)=C(\\O)N2CC)C(N)=O,O=C2/C(=C(/C)\C(\N=Nc1cccc(c1)P(O)(O)=O)=C(\O)N2CC)C(N)=O,"InChI=1/C15H17N4O6P/c1-3-19-14(21)11(13(16)20)8(2)12(15(19)22)18-17-9-5-4-6-10(7-9)26(23,24)25/h4-7,22H,3H2,1-2H3,(H2,16,20)(H2,23,24,25)",C15H17N4O6P,,,,,,WJPDXHREZGGNEI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.085,262-813-9,61480-15-7,"2,2'-[[3-chloro-4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({3-chloro-4-[(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl}imino)diethanol",Brc2cc(cc(Br)c2N=Nc1ccc(cc1Cl)N(CCO)CCO)[N+]([O-])=O,Brc2cc(cc(Br)c2N=Nc1ccc(cc1Cl)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C16H15Br2ClN4O4/c17-12-7-11(23(26)27)8-13(18)16(12)21-20-15-2-1-10(9-14(15)19)22(3-5-24)4-6-25/h1-2,7-9,24-25H,3-6H2",C16H15Br2ClN4O4,,,,,,NMNGPGUKCHNKOE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.093,262-822-8,61498-90-6,"5'a-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione maleate","5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman but-2-enedioate (salt)",CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(=O)\\C=C/C(=O)O,CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(=O)\C=C/C(=O)O,"InChI=1/C33H35N5O5.C4H4O4/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-3(6)1-2-4(7)8/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2H,(H,5,6)(H,7,8)",C33H35N5O5.C4H4O4,,,,,,FODBCFCRBVHWSZ-UNMUSCHYSA-N,,,,,,,,,,,
100.057.096,262-825-4,61508-55-2,"cis-2-(iodomethyl)-1,3-dioxolane-4-methanol","[2-(iodomethyl)-1,3-dioxolan-4-yl]methanol",OC[C@@H]1CO[C@H](CI)O1,OC[C@@H]1CO[C@H](CI)O1,"InChI=1/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2",C5H9IO3,,,,,,NEIPZWZQHXCYDV-UHNVWZDZSA-N,,,,,,,,,,,
100.057.097,262-827-5,61508-57-4,"trans-2-(iodomethyl)-1,3-dioxolane-4-methanol","[2-(iodomethyl)-1,3-dioxolan-4-yl]methanol",OC[C@H]1CO[C@H](CI)O1,OC[C@H]1CO[C@H](CI)O1,"InChI=1/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2",C5H9IO3,,,,,,NEIPZWZQHXCYDV-WHFBIAKZSA-N,,,,,,,,,,,
100.057.099,262-829-6,61526-69-0,"Hexadecyl 4-chloro-3-[3-(4-methoxyphenyl)-1,3-dioxo-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl]anthranilate","hexadecyl 2-amino-4-chloro-3-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]benzoate",CCCCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c(C(=O)C(C(=O)c2ccc(OC)cc2)n3cnc4N(C)C(=O)N(C)C(=O)c34)c1N,CCCCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c(C(=O)C(C(=O)c2ccc(OC)cc2)n3cnc4N(C)C(=O)N(C)C(=O)c34)c1N,"InChI=1/C40H52ClN5O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-53-39(50)29-23-24-30(41)31(32(29)42)36(48)33(35(47)27-19-21-28(52-4)22-20-27)46-26-43-37-34(46)38(49)45(3)40(51)44(37)2/h19-24,26,33H,5-18,25,42H2,1-4H3",C40H52ClN5O7,,,,,,OFKODGKYJDOSSO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.975,264-893-0,64426-38-6,"N-(chlorodimethylsilyl)-N'-(chloromethylvinylsilyl)-1,1-dimethylsilanediamine","N-[chloro(dimethyl)silyl]-N'-[(chloromethyl)(vinyl)silyl]-1,1-dimethylsilanediamine",C[Si](C)(Cl)N[Si](C)(C)N[SiH](CCl)C=C,C[Si](C)(Cl)N[Si](C)(C)N[SiH](CCl)C=C,"InChI=1/C7H20Cl2N2Si3/c1-6-12(7-8)10-14(4,5)11-13(2,3)9/h6,10-12H,1,7H2,2-5H3",C7H20Cl2N2Si3,,,,,,HEPYJIUMZSKAGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.900,235-103-1,12068-61-0,Nickel diarsenide,nickel(2+) bis[arsinidenearsenate(1-)],[Ni+2].[AsH]=[AsH2-].[AsH]=[AsH2-],[Ni+2].[AsH]=[AsH2-].[AsH]=[AsH2-],"InChI=1/2As2H3.Ni/c2*1-2;/h2*1H,2H2;/q2*-1;+2",As2Ni,,,,,,CPHMRDBOGZDHGE-UHFFFAOYSA-N,,,,,,,,,,,
100.045.216,249-753-9,29656-55-1,(chloropropyl)triethoxysilane,(1-chloropropyl)(triethoxy)silane,CCO[Si](OCC)(OCC)C(Cl)CC,CCO[Si](OCC)(OCC)C(Cl)CC,"InChI=1/C9H21ClO3Si/c1-5-9(10)14(11-6-2,12-7-3)13-8-4/h9H,5-8H2,1-4H3",C9H21ClO3Si,,,,,,LUHFFAFBORUUNF-UHFFFAOYSA-N,,,,,,,,,,,
100.045.217,249-754-4,29656-68-6,Ethylhexanediol,"2-ethylhexane-1,3-diol",CCCC(O)C(CC)CO,CCCC(O)C(CC)CO,"InChI=1/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3",C8H18O2,,,,,,RWLALWYNXFYRGW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.220,249-758-6,29660-48-8,"1,4,8-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene, stereoisomer","1,4,8-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene",CC1=CCCC2OC2(C)CCC(=CCC1)C,CC1=CCCC2OC2(C)CCC(=CCC1)C,"InChI=1/C15H24O/c1-12-6-4-7-13(2)10-11-15(3)14(16-15)9-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3",C15H24O,,,,,,GFVSUUVHHHCABA-UHFFFAOYSA-N,,,,,,,,,,,
100.045.223,249-761-2,29663-54-5,Cycloheptatrienylium hexafluorophosphate(1-),"cyclohepta-1,3,5-trienylium hexafluorophosphate",F[P-](F)(F)(F)(F)F.C1C=CC=CC=[C+]1,F[P-](F)(F)(F)(F)F.C1C=CC=CC=[C+]1,"InChI=1/C7H8.F6P/c1-2-4-6-7-5-3-1;1-7(2,3,4,5)6/h1-6H,7H2;/q+1;-1",C7H7.F6P,,,,,,AZBGDZFJQCDNFN-UHFFFAOYSA-N,,,,,,,,,,,
100.045.229,249-768-0,29674-65-5,"4-amino-6-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-3-[(2,5-disulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-6-[(5-{[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino}-2-sulfophenyl)diazenyl]-3-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O)nc(OCCOCC)n5,Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O)nc(OCCOCC)n5,"InChI=1/C29H26ClN9O18S5/c1-2-56-7-8-57-29-34-27(30)33-28(35-29)32-14-3-5-18(59(44,45)46)16(11-14)36-39-25-21(62(53,54)55)10-13-9-20(61(50,51)52)24(23(31)22(13)26(25)40)38-37-17-12-15(58(41,42)43)4-6-19(17)60(47,48)49/h3-6,9-12,40H,2,7-8,31H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,32,33,34,35)",C29H26ClN9O18S5,,,,,,ADAOGOICTXLZQC-UHFFFAOYSA-N,,,,,,,,,,,
100.045.233,249-772-2,29681-21-8,2-[2-(2-isopropoxyethoxy)ethoxy]ethanol,2-[2-(2-isopropoxyethoxy)ethoxy]ethanol,CC(C)OCCOCCOCCO,CC(C)OCCOCCOCCO,"InChI=1/C9H20O4/c1-9(2)13-8-7-12-6-5-11-4-3-10/h9-10H,3-8H2,1-2H3",C9H20O4,,,,,,FETMDPWILVCFLL-UHFFFAOYSA-N,,,,,,,,,,,
100.045.234,249-773-8,29682-39-1,1-bromo-2-chloro-4-nitrobenzene,1-bromo-2-chloro-4-nitrobenzene,[O-][N+](=O)c1ccc(Br)c(Cl)c1,[O-][N+](=O)c1ccc(Br)c(Cl)c1,InChI=1/C6H3BrClNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,C6H3BrClNO2,,,,,,YKSXEJZFIQAUHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.045.238,249-778-5,29683-84-9,Thiophene-2-carbaldehyde oxime,thiophene-2-carbaldehyde oxime,ON=Cc1cccs1,ON=Cc1cccs1,"InChI=1/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H",C5H5NOS,,,,,,GASLBPLHYRZLLT-UHFFFAOYSA-N,,,,,,,,,,,
100.045.239,249-779-0,29684-26-2,"3,5-bis(trifluoromethyl)benzenediazonium","3,5-bis(trifluoromethyl)benzenediazonium",FC(F)(F)c1cc(cc(c1)C(F)(F)F)[N+]#N,FC(F)(F)c1cc(cc(c1)C(F)(F)F)[N+]#N,"InChI=1/C8H3F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3H/q+1",C8H3F6N2,,,,,,OBUHATYQFHFCRT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.001,245-118-5,22604-06-4,[(4-oxo-2-thiazolin-2-yl)thio]acetic acid,"[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]acetic acid",OC(=O)CSC1=NC(=O)CS1,OC(=O)CSC1=NC(=O)CS1,"InChI=1/C5H5NO3S2/c7-3-1-10-5(6-3)11-2-4(8)9/h1-2H2,(H,8,9)",C5H5NO3S2,,,,,,IRDFJVKFKOGADM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.008,245-125-3,22616-19-9,1-ethyl-1-methylheptyl acetate,1-ethyl-1-methylheptyl acetate,CCCCCCC(C)(CC)OC(=O)C,CCCCCCC(C)(CC)OC(=O)C,"InChI=1/C12H24O2/c1-5-7-8-9-10-12(4,6-2)14-11(3)13/h5-10H2,1-4H3",C12H24O2,,,,,,HVPKIOUHNVOKDK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.014,245-132-1,22619-35-8,Tioclomarol,3-[3-(4-chlorophenyl)-1-(5-chloro-2-thienyl)-3-hydroxypropyl]-4-hydroxy-2H-chromen-2-one,OC(CC(C1=C(O)c2ccccc2OC1=O)c3ccc(Cl)s3)c4ccc(Cl)cc4,OC(CC(C1=C(O)c2ccccc2OC1=O)c3ccc(Cl)s3)c4ccc(Cl)cc4,"InChI=1/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2",C22H16Cl2O4S,,,,,,WRGOVNKNTPWHLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.361,238-913-3,14850-23-8,trans-oct-4-ene,oct-4-ene,CCC\\C=C\\CCC,CCC\C=C\CCC,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3",C8H16,,,,,,IRUCBBFNLDIMIK-BQYQJAHWSA-N,,,,,,,,,,,
100.035.369,238-922-2,14857-92-2,3-(dimethoxymethylsilyl)-2-methylpropanethiol,3-[(dimethoxymethyl)silyl]-2-methylpropane-1-thiol,COC(OC)[SiH2]CC(C)CS,COC(OC)[SiH2]CC(C)CS,"InChI=1/C7H18O2SSi/c1-6(4-10)5-11-7(8-2)9-3/h6-7,10H,4-5,11H2,1-3H3",C7H18O2SSi,,,,,,JLKCNFSZRZYTOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.770,264-666-6,64086-95-9,"1-amino-2-bromo-4-[[4-[(1-methylethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]anthraquinone","1-amino-2-bromo-4-{[4-(isopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino}-9,10-anthraquinone",CC(C)Nc1nc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)nc(n1)c5ccccc5,CC(C)Nc1nc(Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23)nc(n1)c5ccccc5,"InChI=1/C26H21BrN6O2/c1-13(2)29-25-31-24(14-8-4-3-5-9-14)32-26(33-25)30-18-12-17(27)21(28)20-19(18)22(34)15-10-6-7-11-16(15)23(20)35/h3-13H,28H2,1-2H3,(H2,29,30,31,32,33)",C26H21BrN6O2,,,,,,NYLRCVQCELLYNI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.772,264-668-7,64090-83-1,(1-carboxyethyl) hydrogen 2-dodecenylsuccinate,3-[(1-carboxyethoxy)carbonyl]pentadec-5-enoate,CC(OC(=O)C(CC([O-])=O)CC=CCCCCCCCCC)C(O)=O,CC(OC(=O)C(CC([O-])=O)CC=CCCCCCCCCC)C(O)=O,"InChI=1/C19H32O6/c1-3-4-5-6-7-8-9-10-11-12-13-16(14-17(20)21)19(24)25-15(2)18(22)23/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,20,21)(H,22,23)/p-1",C19H32O6,,,,,,CRBQWNPMHNTUGP-UHFFFAOYSA-M,,,,,,,,,,,
100.058.775,264-671-3,64099-44-1,Quisultazine,"10-(1-azabicyclo[2.2.2]oct-3-yl)-N,N-dimethyl-10H-phenothiazine-2-sulfonamide",CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(C4CN5CCC4CC5)c2c1,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(C4CN5CCC4CC5)c2c1,"InChI=1/C21H25N3O2S2/c1-22(2)28(25,26)16-7-8-21-18(13-16)24(17-5-3-4-6-20(17)27-21)19-14-23-11-9-15(19)10-12-23/h3-8,13,15,19H,9-12,14H2,1-2H3",C21H25N3O2S2,,,,,,HTHHBTMNLHMBHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.377,267-535-1,67875-20-1,1-amino-4-hydroxy-2-(4-pentylphenoxy)anthraquinone,"1-amino-4-hydroxy-2-(4-pentylphenoxy)-9,10-anthraquinone",CCCCCc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,CCCCCc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C25H23NO4/c1-2-3-4-7-15-10-12-16(13-11-15)30-20-14-19(27)21-22(23(20)26)25(29)18-9-6-5-8-17(18)24(21)28/h5-6,8-14,27H,2-4,7,26H2,1H3",C25H23NO4,,,,,,FMJLZDIPOPILLS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.378,267-536-7,67875-21-2,Sodium 3-[[4-[(2-hydroxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulphonate,sodium 3-({4-[(2-hydroxy-5-methylphenyl)diazenyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].Oc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23,[Na+].Oc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23,"InChI=1/C23H18N4O4S.Na/c1-15-9-12-23(28)22(13-15)27-26-21-11-10-20(18-7-2-3-8-19(18)21)25-24-16-5-4-6-17(14-16)32(29,30)31;/h2-14,28H,1H3,(H,29,30,31);/q;+1/p-1",C23H18N4O4S.Na,,,,,,FICPDMYIUFTEEW-UHFFFAOYSA-M,,,,,,,,,,,
100.061.380,267-538-8,67875-23-4,"Tetrasodium 2-[4-[2-[4-[(3-amino-2-methoxy-5-methylphenyl)azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-6,8-disulphonate","tetrasodium 2-[4-(2-{4-[(3-amino-2-methoxy-5-methylphenyl)diazenyl]-2-sulfonatophenyl}vinyl)-3-sulfonatophenyl]-2H-naphtho[1,2-d][1,2,3]triazole-6,8-disulfonate",[Na+].[Na+].[Na+].[Na+].Cc6cc(N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)n4nc3c(ccc2c(cc(cc23)S([O-])(=O)=O)S([O-])(=O)=O)n4)c(c5)S([O-])(=O)=O)c(OC)c(N)c6,[Na+].[Na+].[Na+].[Na+].Cc6cc(N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)n4nc3c(ccc2c(cc(cc23)S([O-])(=O)=O)S([O-])(=O)=O)n4)c(c5)S([O-])(=O)=O)c(OC)c(N)c6,"InChI=1/C32H26N6O13S4.4Na/c1-17-11-25(33)32(51-2)27(12-17)35-34-20-7-5-18(28(13-20)53(42,43)44)3-4-19-6-8-21(14-29(19)54(45,46)47)38-36-26-10-9-23-24(31(26)37-38)15-22(52(39,40)41)16-30(23)55(48,49)50;;;;/h3-16H,33H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",C32H26N6O13S4.4Na,,,,,,RFECDARYCDMXAT-RBVQGUHBSA-J,,,,,,,,,,,
100.061.381,267-539-3,67875-24-5,Sodium 3-[(4-aminophenyl)azo]-4-chlorobenzenesulphonate,sodium 3-[(4-aminophenyl)diazenyl]-4-chlorobenzenesulfonate,[Na+].Clc2ccc(cc2N=Nc1ccc(N)cc1)S([O-])(=O)=O,[Na+].Clc2ccc(cc2N=Nc1ccc(N)cc1)S([O-])(=O)=O,"InChI=1/C12H10ClN3O3S.Na/c13-11-6-5-10(20(17,18)19)7-12(11)16-15-9-3-1-8(14)2-4-9;/h1-7H,14H2,(H,17,18,19);/q;+1/p-1",C12H10ClN3O3S.Na,,,,,,LVTVPHDHZAQTKZ-UHFFFAOYSA-M,,,,,,,,,,,
100.061.383,267-541-4,67875-26-7,"Disodium 6-[(4-aminophenyl)azo]naphthalene-1,3-disulphonate","disodium 6-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc2cc(N=Nc1ccc(N)cc1)ccc2c(c3)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc2cc(N=Nc1ccc(N)cc1)ccc2c(c3)S([O-])(=O)=O,"InChI=1/C16H13N3O6S2.2Na/c17-11-1-3-12(4-2-11)18-19-13-5-6-15-10(7-13)8-14(26(20,21)22)9-16(15)27(23,24)25;;/h1-9H,17H2,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H13N3O6S2.2Na,,,,,,HAZCNZLBUITABT-UHFFFAOYSA-L,,,,,,,,,,,
100.061.386,267-545-6,67875-29-0,"Sodium 2,5-dichloro-4-[4,5-dihydro-4-[(4-hydroxyphenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-{4-[(4-hydroxyphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(O)cc2)C3=O,[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(O)cc2)C3=O,"InChI=1/C16H12Cl2N4O5S.Na/c1-8-15(20-19-9-2-4-10(23)5-3-9)16(24)22(21-8)13-6-12(18)14(7-11(13)17)28(25,26)27;/h2-7,15,23H,1H3,(H,25,26,27);/q;+1/p-1",C16H12Cl2N4O5S.Na,,,,,,QIJXFVQAUMMZCP-UHFFFAOYSA-M,,,,,,,,,,,
100.061.388,267-547-7,67875-31-4,4-(phenylazo)naphthalene-1-diazonium chloride,4-(phenyldiazenyl)naphthalene-1-diazonium chloride,[Cl-].N#[N+]c3ccc(N=Nc1ccccc1)c2ccccc23,[Cl-].N#[N+]c3ccc(N=Nc1ccccc1)c2ccccc23,InChI=1/C16H11N4.ClH/c17-18-15-10-11-16(14-9-5-4-8-13(14)15)20-19-12-6-2-1-3-7-12;/h1-11H;1H/q+1;/p-1,C16H11N4.Cl,,,,,,VPCXEADCNDDVOD-UHFFFAOYSA-M,,,,,,,,,,,
100.061.399,267-559-2,67890-79-3,4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,CC(C)C12CCC(C)(C=C1)C(C2)C=O,CC(C)C12CCC(C)(C=C1)C(C2)C=O,"InChI=1/C13H20O/c1-10(2)13-6-4-12(3,5-7-13)11(8-13)9-14/h4,6,9-11H,5,7-8H2,1-3H3",C13H20O,,,,,,LXYNULJSTVMWAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.043,264-967-2,64611-83-2,"4,5-dihydroxy-1,3-bis[(1-methylethoxy)methyl]imidazolidin-2-one","4,5-dihydroxy-1,3-bis(isopropoxymethyl)imidazolidin-2-one",CC(C)OCN1C(O)C(O)N(COC(C)C)C1=O,CC(C)OCN1C(O)C(O)N(COC(C)C)C1=O,"InChI=1/C11H22N2O5/c1-7(2)17-5-12-9(14)10(15)13(11(12)16)6-18-8(3)4/h7-10,14-15H,5-6H2,1-4H3",C11H22N2O5,,,,,,HANPRQSGPQGEDO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.044,264-968-8,64611-86-5,Bis[(hydroxy)isopropylammonium] sulphate,bis[hydroxy(isopropyl)ammonium] sulfate,CC(C)[NH2+]O.CC(C)[NH2+]O.[O-]S(=O)(=O)[O-],CC(C)[NH2+]O.CC(C)[NH2+]O.[O-]S(=O)(=O)[O-],"InChI=1/2C3H9NO.H2O4S/c2*1-3(2)4-5;1-5(2,3)4/h2*3-5H,1-2H3;(H2,1,2,3,4)",C3H9NO.1/2H2O4S,,,,,,CSLYMPDYAQYLBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.049,264-974-0,64611-94-5,"N-[2-[(5-bromo-7-nitro-1,2-benzisothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxyacetamide","N-{2-[(5-bromo-7-nitro-1,2-benzisothiazol-4-yl)diazenyl]-5-(diethylamino)phenyl}-2-phenoxyacetamide",CCN(CC)c4ccc(N=Nc1c(Br)cc(c2sncc12)[N+]([O-])=O)c(NC(=O)COc3ccccc3)c4,CCN(CC)c4ccc(N=Nc1c(Br)cc(c2sncc12)[N+]([O-])=O)c(NC(=O)COc3ccccc3)c4,"InChI=1/C25H23BrN6O4S/c1-3-31(4-2)16-10-11-20(21(12-16)28-23(33)15-36-17-8-6-5-7-9-17)29-30-24-18-14-27-37-25(18)22(32(34)35)13-19(24)26/h5-14H,3-4,15H2,1-2H3,(H,28,33)",C25H23BrN6O4S,,,,,,CDYOIEJXFJYWAF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.057,264-982-4,64634-93-1,"3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one","3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one",CC(CC1C(=CCCC1(C)C)C)C(=O)C,CC(CC1C(=CCCC1(C)C)C)C(=O)C,"InChI=1/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11,13H,6,8-9H2,1-5H3",C14H24O,,,,,,SYLQLBRNBHRVCR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.061,264-987-1,64643-71-6,"(5a)-17-(cyclobutylmethyl)-4,5-epoxy-14-hydroxy-3-methoxymorphinan-6-one","17-(cyclobutylmethyl)-14-hydroxy-3-methoxy-4,5-epoxymorphinan-6-one",COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O,COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O,"InChI=1/C22H27NO4/c1-26-16-6-5-14-11-17-22(25)8-7-15(24)20-21(22,18(14)19(16)27-20)9-10-23(17)12-13-3-2-4-13/h5-6,13,17,20,25H,2-4,7-12H2,1H3",C22H27NO4,,,,,,ZBAQMFALLMLPSC-KDXIVRHGSA-N,,,,,,,,,,,
100.059.072,264-999-7,64654-04-2,Bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-tetracosenylsuccinate,bis{2-[bis(2-hydroxyethyl)amino]ethyl} 2-tetracos-2-en-1-ylsuccinate,O=C(OCCN(CCO)CCO)C(CC(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCCCCCCCC,O=C(OCCN(CCO)CCO)C(CC(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C40H78N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-38(40(48)50-36-30-42(27-33-45)28-34-46)37-39(47)49-35-29-41(25-31-43)26-32-44/h22-23,38,43-46H,2-21,24-37H2,1H3",C40H78N2O8,,,,,,OWGMCJRBLBZHKD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.108,267-239-2,67828-17-5,Diethyl dibutylphosphoramidate,diethyl dibutylamidophosphate,CCCCN(CCCC)P(=O)(OCC)OCC,CCCCN(CCCC)P(=O)(OCC)OCC,"InChI=1/C12H28NO3P/c1-5-9-11-13(12-10-6-2)17(14,15-7-3)16-8-4/h5-12H2,1-4H3",C12H28NO3P,,,,,,BSZXIHSHPYRELV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.111,267-242-9,67828-21-1,N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]naphthalene-2-carboxamide,N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)diazenyl]-2-naphthamide,COc4ccc(Cl)cc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)[N+]([O-])=O)c3O,COc4ccc(Cl)cc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)[N+]([O-])=O)c3O,"InChI=1/C25H19ClN4O6/c1-35-21-9-7-15(26)12-19(21)27-25(32)18-11-14-5-3-4-6-17(14)23(24(18)31)29-28-20-13-16(30(33)34)8-10-22(20)36-2/h3-13,31H,1-2H3,(H,27,32)",C25H19ClN4O6,,,,,,LBHPJEIHPAGFBM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.115,267-247-6,67828-25-5,"Dipotassium disodium 4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","dipotassium disodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[K+].[K+].OCCNc1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCCO)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[K+].[K+].OCCNc1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCCO)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C36H36N12O14S4.2K.2Na/c49-17-15-37-31-43-33(39-23-7-11-27(12-8-23)63(51,52)53)47-35(45-31)41-25-5-3-21(29(19-25)65(57,58)59)1-2-22-4-6-26(20-30(22)66(60,61)62)42-36-46-32(38-16-18-50)44-34(48-36)40-24-9-13-28(14-10-24)64(54,55)56;;;;/h1-14,19-20,49-50H,15-18H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4",C36H36N12O14S4.2K.2Na,,,,,,HOMNZOFYIUJVJO-MBCFVHIPSA-J,,,,,,,,,,,
100.061.124,267-257-0,67828-34-6,2-aminobenzothiazole-6-carboxylic acid monohydrobromide,"2-amino-1,3-benzothiazole-6-carboxylic acid hydrobromide",Br.Nc1nc2ccc(cc2s1)C(=O)O,Br.Nc1nc2ccc(cc2s1)C(=O)O,"InChI=1/C8H6N2O2S.BrH/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8;/h1-3H,(H2,9,10)(H,11,12);1H",C8H6N2O2S.BrH,,,,,,YTYCXYXLESVMGN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.754,261-349-4,58594-45-9,(Z)-13-octadecenal,octadec-13-enal,CCCC\\C=C/CCCCCCCCCCCC=O,CCCC\C=C/CCCCCCCCCCCC=O,"InChI=1/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3",C18H34O,,,,,,QIRGIHPYVVKWTO-WAYWQWQTSA-N,,,,,,,,,,,
100.058.977,264-895-1,64431-70-5,"3,7-dimethyloct-6-enyl 5-oxo-DL-prolinate","3,7-dimethyloct-6-en-1-yl 5-oxo-L-prolinate",CC(CCOC(=O)[C@@H]1CCC(=O)N1)CCC=C(C)C,CC(CCOC(=O)[C@@H]1CCC(=O)N1)CCC=C(C)C,"InChI=1/C15H25NO3/c1-11(2)5-4-6-12(3)9-10-19-15(18)13-7-8-14(17)16-13/h5,12-13H,4,6-10H2,1-3H3,(H,16,17)",C15H25NO3,,,,,,IPCMWVOBEOLDAO-ABLWVSNPSA-N,,,,,,,,,,,
100.058.982,264-900-7,64435-09-2,"3,3,15,15-tetramethoxy-2,16-dioxa-7,8,9,10,11-pentathia-3,15-disilaheptadecane","3,3,15,15-tetramethoxy-2,16-dioxa-7,8,9,10,11-pentathia-3,15-disilaheptadecane",CO[Si](CCCSSSSSCCC[Si](OC)(OC)OC)(OC)OC,CO[Si](CCCSSSSSCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C12H30O6S5Si2/c1-13-24(14-2,15-3)11-7-9-19-21-23-22-20-10-8-12-25(16-4,17-5)18-6/h7-12H2,1-6H3",C12H30O6S5Si2,,,,,,DMFBQMAXLPTYBP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.984,264-902-8,64445-72-3,Oxiranylmethyl 3-(oxiranylmethoxy)propionate,oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate,O=C(CCOCC1CO1)OCC2CO2,O=C(CCOCC1CO1)OCC2CO2,"InChI=1/C9H14O5/c10-9(14-6-8-5-13-8)1-2-11-3-7-4-12-7/h7-8H,1-6H2",C9H14O5,,,,,,OOZIORGGHDGCLG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.990,264-909-6,64485-21-8,"2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-4-[[4-(2-phenoxyethoxy)phenyl]azo]-3H-pyrazol-3-one","2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-{[4-(hexadecylsulfonyl)phenyl]amino}-4-{[4-(2-phenoxyethoxy)phenyl]diazenyl}-2,4-dihydro-3H-pyrazol-3-one",ClC(F)C(F)(F)Oc1ccccc1N5/N=C(/Nc2ccc(cc2)S(=O)(=O)CCCCCCCCCCCCCCCC)C(N=Nc4ccc(OCCOc3ccccc3)cc4)C5=O,ClC(F)C(F)(F)Oc1ccccc1N5/N=C(/Nc2ccc(cc2)S(=O)(=O)CCCCCCCCCCCCCCCC)C(N=Nc4ccc(OCCOc3ccccc3)cc4)C5=O,"InChI=1/C47H57ClF3N5O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-35-63(58,59)40-31-27-36(28-32-40)52-44-43(45(57)56(55-44)41-23-18-19-24-42(41)62-47(50,51)46(48)49)54-53-37-25-29-39(30-26-37)61-34-33-60-38-21-16-15-17-22-38/h15-19,21-32,43,46H,2-14,20,33-35H2,1H3,(H,52,55)",C47H57ClF3N5O6S,,,,,,QCTQTJNTOCQOJL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.663,261-250-6,58437-69-7,"(E)-2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate","2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl acetate",CC(=O)OC\\C=C\\1/C2CCC(C2)C1(C)C,CC(=O)OC\C=C\1/C2CCC(C2)C1(C)C,"InChI=1/C13H20O2/c1-9(14)15-7-6-12-10-4-5-11(8-10)13(12,2)3/h6,10-11H,4-5,7-8H2,1-3H3",C13H20O2,,,,,,DVZKEXVVDIXSMK-WUXMJOGZSA-N,,,,,,,,,,,
100.055.669,261-256-9,58444-23-8,6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile,6-[(2-hydroxyethyl)amino]-4-methyl-2-{[3-(2-phenoxyethoxy)propyl]amino}nicotinonitrile,Cc1cc(NCCO)nc(NCCCOCCOc2ccccc2)c1C#N,Cc1cc(NCCO)nc(NCCCOCCOc2ccccc2)c1C#N,"InChI=1/C20H26N4O3/c1-16-14-19(22-9-10-25)24-20(18(16)15-21)23-8-5-11-26-12-13-27-17-6-3-2-4-7-17/h2-4,6-7,14,25H,5,8-13H2,1H3,(H2,22,23,24)",C20H26N4O3,,,,,,JZFSKHDCPOQSBP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.672,261-260-0,58452-00-9,3-benzyloxy-p-anisic acid,3-(benzyloxy)-4-methoxybenzoic acid,COc1ccc(cc1OCc2ccccc2)C(=O)O,COc1ccc(cc1OCc2ccccc2)C(=O)O,"InChI=1/C15H14O4/c1-18-13-8-7-12(15(16)17)9-14(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)",C15H14O4,,,,,,YPDXIGBSOBESNI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.676,261-264-2,58461-27-1,2-isopropenyl-5-methylhex-4-en-1-ol,2-isopropenyl-5-methylhex-4-en-1-ol,CC(=CCC(CO)C(=C)C)C,CC(=CCC(CO)C(=C)C)C,"InChI=1/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3",C10H18O,,,,,,CZVXBFUKBZRMKR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.691,261-281-5,58479-55-3,Exo-bornyl butyrate,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl butyrate",CCCC(=O)OC1CC2CCC1(C)C2(C)C,CCCC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3",C14H24O2,,,,,,VIPNQHBVIDJXJE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.692,261-282-0,58479-61-1,tert-butylchlorodiphenylsilane,tert-butyl(chloro)diphenylsilane,CC(C)(C)[Si](Cl)(c1ccccc1)c2ccccc2,CC(C)(C)[Si](Cl)(c1ccccc1)c2ccccc2,"InChI=1/C16H19ClSi/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3",C16H19ClSi,,,,,,MHYGQXWCZAYSLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.694,261-284-1,58480-38-9,Sodium 3-(4-nitrophenoxy)propanesulphonate,sodium 3-(4-nitrophenoxy)propane-1-sulfonate,[Na+].[O-][N+](=O)c1ccc(OCCCS(=O)(=O)[O-])cc1,[Na+].[O-][N+](=O)c1ccc(OCCCS(=O)(=O)[O-])cc1,"InChI=1/C9H11NO6S.Na/c11-10(12)8-2-4-9(5-3-8)16-6-1-7-17(13,14)15;/h2-5H,1,6-7H2,(H,13,14,15);/q;+1/p-1",C9H11NO6S.Na,,,,,,JUFRIUPMWSGUOL-UHFFFAOYSA-M,,,,,,,,,,,
100.055.695,261-285-7,58480-39-0,Sodium 3-(4-aminophenoxy)propanesulphonate,sodium 3-(4-aminophenoxy)propane-1-sulfonate,[Na+].Nc1ccc(OCCCS(=O)(=O)[O-])cc1,[Na+].Nc1ccc(OCCCS(=O)(=O)[O-])cc1,"InChI=1/C9H13NO4S.Na/c10-8-2-4-9(5-3-8)14-6-1-7-15(11,12)13;/h2-5H,1,6-7,10H2,(H,11,12,13);/q;+1/p-1",C9H13NO4S.Na,,,,,,OUTUVKFONVOYPM-UHFFFAOYSA-M,,,,,,,,,,,
100.055.698,261-288-3,58494-39-6,"4,4'-(diphenylmethylene)bis[1,1-dimethylsemicarbazide]","N,N'-(diphenylmethylene)bis(2,2-dimethylhydrazinecarboxamide)",CN(C)NC(=O)NC(NC(=O)NN(C)C)(c1ccccc1)c2ccccc2,CN(C)NC(=O)NC(NC(=O)NN(C)C)(c1ccccc1)c2ccccc2,"InChI=1/C19H26N6O2/c1-24(2)22-17(26)20-19(15-11-7-5-8-12-15,16-13-9-6-10-14-16)21-18(27)23-25(3)4/h5-14H,1-4H3,(H2,20,22,26)(H2,21,23,27)",C19H26N6O2,,,,,,PFQVHUOGUNMCEF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.373,238-926-4,14860-49-2,Clobutinol,"1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol",CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,"InChI=1/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3",C14H22ClNO,,,,,,KVHHQGIIZCJATJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.001,240-717-8,16672-70-1,2-hydroxyethyl (hydroxymethyl)-carbamate,2-hydroxyethyl (hydroxymethyl)carbamate,OCCOC(=O)NCO,OCCOC(=O)NCO,"InChI=1/C4H9NO4/c6-1-2-9-4(8)5-3-7/h6-7H,1-3H2,(H,5,8)",C4H9NO4,,,,,,NHWYGOGAJKUGIY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.004,240-720-4,16673-13-5,"Disodium 9,10-dihydro-1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxoanthracene-2,6-disulphonate","disodium 1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate",[Na+].[Na+].CNc1cc(c(O)c2C(=O)c3c(NC)cc(c(O)c3C(=O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CNc1cc(c(O)c2C(=O)c3c(NC)cc(c(O)c3C(=O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H14N2O10S2.2Na/c1-17-5-3-7(29(23,24)25)13(19)11-9(5)15(21)12-10(16(11)22)6(18-2)4-8(14(12)20)30(26,27)28;;/h3-4,17-20H,1-2H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C16H14N2O10S2.2Na,,,,,,JWRCFUVSHWNVOH-UHFFFAOYSA-L,,,,,,,,,,,
100.037.005,240-722-5,16673-34-0,N-[2-[4-(aminosulphonyl)phenyl]ethyl]-5-chloro-2-methoxybenzamide,5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide,COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)N,COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)N,"InChI=1/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)",C16H17ClN2O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11547,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.005,KVWWTCSJLGHLRM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.014,240-731-4,16687-42-6,Ammonium thiocarbamate,ammonium thiocarbamate,[NH4+].NC(=O)[S-],[NH4+].NC(=O)[S-],"InChI=1/CH3NOS.H3N/c2-1(3)4;/h(H3,2,3,4);1H3",CH3NOS.H3N,,,,,,PTYONPWKVPLXDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.017,240-735-6,16691-43-3,"3-amino-1,2,4-triazole-5-thiol","5-amino-4H-1,2,4-triazole-3-thiol",Nc1nc(S)nn1,Nc1nc(S)nn1,"InChI=1/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)",C2H4N4S,,,,,,WZUUZPAYWFIBDF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.021,240-739-8,16694-17-0,4-bromo-3-thenoic acid,4-bromothiophene-3-carboxylic acid,OC(=O)c1cscc1Br,OC(=O)c1cscc1Br,"InChI=1/C5H3BrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)",C5H3BrO2S,,,,,,APBIZVFQQBCAAT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.022,240-740-3,16695-31-1,Tetrahydro-2-(7-octynyloxy)-2H-pyran,2-(oct-7-yn-1-yloxy)tetrahydro-2H-pyran,C#CCCCCCCOC1CCCCO1,C#CCCCCCCOC1CCCCO1,"InChI=1/C13H22O2/c1-2-3-4-5-6-8-11-14-13-10-7-9-12-15-13/h1,13H,3-12H2",C13H22O2,,,,,,NNZDDWHYRFZHLF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.023,240-741-9,16695-45-7,2-[2-(2-hydroxyethoxy)ethoxy]ethyl acrylate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl acrylate,OCCOCCOCCOC(=O)C=C,OCCOCCOCCOC(=O)C=C,"InChI=1/C9H16O5/c1-2-9(11)14-8-7-13-6-5-12-4-3-10/h2,10H,1,3-8H2",C9H16O5,,,,,,VETIYACESIPJSO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.028,240-747-1,16698-35-4,"[2R[2R*(4R*,8R*)]]-3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol","2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)cc(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)cc(C)c2O1,"InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3",C28H48O2,,,,,,WGVKWNUPNGFDFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.030,240-749-2,16699-20-0,(E)-1-benzhydryl-4-cinnamylpiperazine,1-(diphenylmethyl)-4-(3-phenylprop-2-en-1-yl)piperazine,C(\\C=C\\c1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4,C(\C=C\c1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4,"InChI=1/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2",C26H28N2,,,,,,DERZBLKQOCDDDZ-JLHYYAGUSA-N,,,,,,,,,,,
100.037.032,240-751-3,16700-95-1,Zinc dihexadecyl phosphate,-,[Zn+2].CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC,[Zn+2].CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC,"InChI=1/C32H67O4P.Zn/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-32H2,1-2H3,(H,33,34);/q;+2/p-1",C32H67O4P.1/2Zn,,,,,,QPZXFEBDAHZJST-UHFFFAOYSA-M,,,,,,,,,,,
100.030.872,233-973-7,10476-87-6,Strychnine dimethylarsinate,dimethylarsinic acid - strychnidin-10-one (1:1),C[As](=O)(C)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,C[As](=O)(C)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2.C2H7AsO2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-3(2,4)5/h1-5,13,16-17,19-20H,6-11H2;1-2H3,(H,4,5)",C21H22N2O2.C2H7AsO2,,,,,,PWRJKMMPKSLKOH-ZEYGOCRCSA-N,,,,,,,,,,,
100.031.009,234-123-8,10543-57-4,"N,N'-ethylenebis[N-acetylacetamide]","N,N'-ethane-1,2-diylbis(N-acetylacetamide)",CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C,CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C,"InChI=1/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3",C10H16N2O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14315,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.009,BGRWYDHXPHLNKA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.014,234-129-0,10545-99-0,Sulphur dichloride,sulfur(2+) dichloride,[SH4+2].[Cl-].[Cl-],[SH4+2].[Cl-].[Cl-],InChI=1/2ClH.H4S/h2*1H;1H4/q;;+2/p-2,Cl2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11728,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.014,NEDSMOCMWMHSKX-UHFFFAOYSA-L,,,,,,,,,,,
100.061.412,267-573-9,67892-41-5,Barium 4-[(3-chloro-2-methyl-5-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,barium 4-[(3-chloro-2-methyl-5-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ba+2].Cc3c(N=Nc1c2ccccc2cc(C([O-])=O)c1O)cc(cc3Cl)S([O-])(=O)=O,[Ba+2].Cc3c(N=Nc1c2ccccc2cc(C([O-])=O)c1O)cc(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ba/c1-9-14(19)7-11(28(25,26)27)8-15(9)20-21-16-12-5-3-2-4-10(12)6-13(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ba,,,,,,PAGRXMTWCMCELN-UHFFFAOYSA-L,,,,,,,,,,,
100.061.416,267-578-6,67892-45-9,3-chloro-4-ethyl-5-nitrobenzenesulphonic acid,3-chloro-4-ethyl-5-nitrobenzenesulfonic acid,CCc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)O,CCc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C8H8ClNO5S/c1-2-6-7(9)3-5(16(13,14)15)4-8(6)10(11)12/h3-4H,2H2,1H3,(H,13,14,15)",C8H8ClNO5S,,,,,,IFEQFEKBQAAGLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.706,261-297-2,58505-58-1,2-[3-(trimethoxysilyl)propyl]isothiouronium chloride,amino{[3-(trimethoxysilyl)propyl]sulfanyl}methaniminium chloride,[Cl-].CO[Si](CCCSC(=[NH2+])N)(OC)OC,[Cl-].CO[Si](CCCSC(=[NH2+])N)(OC)OC,"InChI=1/C7H18N2O3SSi.ClH/c1-10-14(11-2,12-3)6-4-5-13-7(8)9;/h4-6H2,1-3H3,(H3,8,9);1H",C7H18N2O3SSi.ClH,,,,,,BCZMKSMVRLGRFS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.710,261-301-2,58506-23-3,"3-hydroxy-a,a,4-trimethylcyclohexanemethanol",5-(1-hydroxy-1-methylethyl)-2-methylcyclohexanol,CC1CCC(CC1O)C(C)(C)O,CC1CCC(CC1O)C(C)(C)O,"InChI=1/C10H20O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3",C10H20O2,,,,,,QTJUHINKPNOAEU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.718,261-310-1,58529-72-9,3-isopropoxycyclohex-2-en-1-one,3-isopropoxycyclohex-2-en-1-one,CC(C)OC1=CC(=O)CCC1,CC(C)OC1=CC(=O)CCC1,"InChI=1/C9H14O2/c1-7(2)11-9-5-3-4-8(10)6-9/h6-7H,3-5H2,1-2H3",C9H14O2,,,,,,IISFUJKHMFGYOU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.721,261-313-8,58534-82-0,Chloro(propan-2-olato)magnesium,magnesium chloride propan-2-olate,CC(C)O[Mg]Cl,CC(C)O[Mg]Cl,"InChI=1/C3H7O.ClH.Mg/c1-3(2)4;;/h3H,1-2H3;1H;/q-1;;+2/p-1/rC3H7ClMgO/c1-3(2)6-5-4/h3H,1-2H3",C3H7ClMgO,,,,,,CFXDAHURBQNVFG-UHFFFAOYSA-M,,,,,,,,,,,
100.055.722,261-314-3,58535-01-6,"Ethyl 3-ethyl-4,7-dimethyl-2,6-octadienoate","ethyl 3-ethyl-4,7-dimethylocta-2,6-dienoate",CCOC(=O)C=C(CC)C(C)C\\C=C(/C)C,CCOC(=O)C=C(CC)C(C)C\C=C(/C)C,"InChI=1/C14H24O2/c1-6-13(10-14(15)16-7-2)12(5)9-8-11(3)4/h8,10,12H,6-7,9H2,1-5H3",C14H24O2,,,,,,NZYDJUTXGIGUQA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.733,261-326-9,58561-09-4,"3-bromo-1-ethyl-1,3-dioxolo[4,5-g]cinnolin-4(1H)-one","3-bromo-1-ethyl[1,3]dioxolo[4,5-g]cinnolin-4(1H)-one",CCN1N=C(Br)C(=O)c2cc3OCOc3cc12,CCN1N=C(Br)C(=O)c2cc3OCOc3cc12,"InChI=1/C11H9BrN2O3/c1-2-14-7-4-9-8(16-5-17-9)3-6(7)10(15)11(12)13-14/h3-4H,2,5H2,1H3",C11H9BrN2O3,,,,,,PEKXZCZTNAVIJC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.737,261-331-6,58567-05-8,Diethyl hydroxymethylmalonate,diethyl hydroxy(methyl)malonate,CCOC(=O)C(C)(O)C(=O)OCC,CCOC(=O)C(C)(O)C(=O)OCC,"InChI=1/C8H14O5/c1-4-12-6(9)8(3,11)7(10)13-5-2/h11H,4-5H2,1-3H3",C8H14O5,,,,,,AADFAKNRCHZLNB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.740,261-334-2,58569-23-6,"[[4-[(4-amino-m-tolyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]benzenesulphonic acid","2-[(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}phenyl)amino]benzenesulfonic acid",OS(=O)(=O)c5ccccc5Nc1ccc(cc1)C(c2cc(C)c(N)cc2)=C\\3/C=C\\C(/C=C/3)=N\\c4ccccc4,OS(=O)(=O)c5ccccc5Nc1ccc(cc1)C(c2cc(C)c(N)cc2)=C\3/C=C\C(/C=C/3)=N\c4ccccc4,"InChI=1/C32H27N3O3S/c1-22-21-25(15-20-29(22)33)32(23-11-16-27(17-12-23)34-26-7-3-2-4-8-26)24-13-18-28(19-14-24)35-30-9-5-6-10-31(30)39(36,37)38/h2-21,35H,33H2,1H3,(H,36,37,38)",C32H27N3O3S,,,,,,VOMZUJSUTZAURW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.742,261-336-3,58570-32-4,1-(chloromethylene)hexahydro-1H-azepinium chloride,1-(chloromethylene)azepanium chloride,[Cl-].ClC=[N+]1CCCCCC1,[Cl-].ClC=[N+]1CCCCCC1,"InChI=1/C7H13ClN.ClH/c8-7-9-5-3-1-2-4-6-9;/h7H,1-6H2;1H/q+1;/p-1",C7H13ClN.Cl,,,,,,YLTCHMNOGUJLDL-UHFFFAOYSA-M,,,,,,,,,,,
100.055.219,260-761-1,57479-70-6,4-chloro-o-anisic acid,4-chloro-2-methoxybenzoic acid,COc1cc(Cl)ccc1C(=O)O,COc1cc(Cl)ccc1C(=O)O,"InChI=1/C8H7ClO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)",C8H7ClO3,,,,,,UFEYMXHWIHFRBX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.234,260-777-9,57512-45-5,"2,8,8-trimethylnonane-2,7-diol","2,8,8-trimethylnonane-2,7-diol",CC(C)(C)C(O)CCCCC(C)(C)O,CC(C)(C)C(O)CCCCC(C)(C)O,"InChI=1/C12H26O2/c1-11(2,3)10(13)8-6-7-9-12(4,5)14/h10,13-14H,6-9H2,1-5H3",C12H26O2,,,,,,AMNHLQWCSMTIRY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.241,260-785-2,57524-15-9,"N-(2-chloro-p-tolyl)-4,5-dihydro-1H-imidazol-2-amine mononitrate","N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine nitrate",Cc1ccc(NC2=NCCN2)c(Cl)c1.O[N+](=O)[O-],Cc1ccc(NC2=NCCN2)c(Cl)c1.O[N+](=O)[O-],"InChI=1/C10H12ClN3.HNO3/c1-7-2-3-9(8(11)6-7)14-10-12-4-5-13-10;2-1(3)4/h2-3,6H,4-5H2,1H3,(H2,12,13,14);(H,2,3,4)",C10H12ClN3.HNO3,,,,,,SEIGDXGATKHXKR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.242,260-786-8,57524-89-7,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-valerate","11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl valerate",CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3",C26H38O6,,,,,,FZCHYNWYXKICIO-FZNHGJLXSA-N,,,,,,,,,,,
100.055.760,261-356-2,58598-42-8,3-docosenylsuccinic anhydride,"3-docos-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23-25(27)29-26(24)28/h21-22,24H,2-20,23H2,1H3",C26H46O3,,,,,,WYSMQSIDRZXTBU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.485,266-554-2,67028-40-4,Ethyl (4-methylphenoxy)acetate,ethyl (4-methylphenoxy)acetate,CCOC(=O)COc1ccc(C)cc1,CCOC(=O)COc1ccc(C)cc1,"InChI=1/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3",C11H14O3,,,,,,UMNOIMVMNARUSB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.491,266-561-0,67066-88-0,"Dihydro-3-(2-octadecenyl)furan-2,5-dione","3-octadec-2-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1CC=CCCCCCCCCCCCCCCC,O=C1OC(=O)CC1CC=CCCCCCCCCCCCCCCC,"InChI=1/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h16-17,20H,2-15,18-19H2,1H3",C22H38O3,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17721,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.491,KLAIOABSDQUNSA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.493,266-563-1,67073-72-7,1-bromo-3-(dimethoxymethyl)benzene,1-bromo-3-(dimethoxymethyl)benzene,COC(OC)c1cccc(Br)c1,COC(OC)c1cccc(Br)c1,"InChI=1/C9H11BrO2/c1-11-9(12-2)7-4-3-5-8(10)6-7/h3-6,9H,1-2H3",C9H11BrO2,,,,,,LEWBSVBRCPCEKV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.494,266-564-7,67075-37-0,"2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(2-phenylethyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",O=C1N(CCc2ccccc2)C(=O)c3ccc4c5ccc6C(=O)N(CCc7ccccc7)C(=O)c8ccc(c9ccc1c3c49)c5c68,O=C1N(CCc2ccccc2)C(=O)c3ccc4c5ccc6C(=O)N(CCc7ccccc7)C(=O)c8ccc(c9ccc1c3c49)c5c68,"InChI=1/C40H26N2O4/c43-37-29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)22-20-24-9-5-2-6-10-24)18-14-28(34(27)36)26-12-16-30(35(29)33(25)26)38(44)41(37)21-19-23-7-3-1-4-8-23/h1-18H,19-22H2",C40H26N2O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11512,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.494,IIKSFQIOFHBWSO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.498,266-568-9,67098-97-9,1-(chloromethyl)-4-fluoro-2-isocyanatobenzene,1-(chloromethyl)-4-fluoro-2-isocyanatobenzene,Fc1ccc(CCl)c(c1)N=C=O,Fc1ccc(CCl)c(c1)N=C=O,"InChI=1/C8H5ClFNO/c9-4-6-1-2-7(10)3-8(6)11-5-12/h1-3H,4H2",C8H5ClFNO,,,,,,CWTOOULKXVNDCB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.251,260-796-2,57532-29-3,"N,N'-(2,5-dichloro-1,4-phenylene)bis[2-[[2-(4-chlorophenyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]azo]-3-oxobutyramide]","N,N'-(2,5-dichloro-1,4-phenylene)bis(2-{[2-(4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]diazenyl}-3-oxobutanamide)",Clc1ccc(cc1)N7C(=O)c6cccc(N=NC(C(C)=O)C(=O)Nc2cc(Cl)c(cc2Cl)NC(=O)C(N=Nc4cccc3C(=O)N(C(=O)c34)c5ccc(Cl)cc5)C(C)=O)c6C7=O,Clc1ccc(cc1)N7C(=O)c6cccc(N=NC(C(C)=O)C(=O)Nc2cc(Cl)c(cc2Cl)NC(=O)C(N=Nc4cccc3C(=O)N(C(=O)c34)c5ccc(Cl)cc5)C(C)=O)c6C7=O,"InChI=1/C42H26Cl4N8O8/c1-19(55)35(51-49-29-7-3-5-25-33(29)41(61)53(39(25)59)23-13-9-21(43)10-14-23)37(57)47-31-17-28(46)32(18-27(31)45)48-38(58)36(20(2)56)52-50-30-8-4-6-26-34(30)42(62)54(40(26)60)24-15-11-22(44)12-16-24/h3-18,35-36H,1-2H3,(H,47,57)(H,48,58)",C42H26Cl4N8O8,,,,,,UOTFJEWCBHQGPW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.254,260-799-9,57533-90-1,Bis(2-hexyldecyl) adipate,bis(2-hexyldecyl) adipate,CCCCCCCCC(CCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCC)CCCCCCCC,CCCCCCCCC(CCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCC)CCCCCCCC,"InChI=1/C38H74O4/c1-5-9-13-17-19-23-29-35(27-21-15-11-7-3)33-41-37(39)31-25-26-32-38(40)42-34-36(28-22-16-12-8-4)30-24-20-18-14-10-6-2/h35-36H,5-34H2,1-4H3",C38H74O4,,,,,,PPOZILIWLOFYOG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.260,260-806-5,57561-88-3,"(4-nitrophenyl)methyl [2R-[1(E),2a,3a]]-a-(1-hydroxyethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate",4-nitrobenzyl 3-hydroxy-2-(2-{[(4-methylphenyl)sulfonyl]sulfanyl}-4-oxo-3-[(phenoxyacetyl)amino]azetidin-1-yl)but-2-enoate,CC(=C(N1C(SS(=O)(=O)c2ccc(C)cc2)C(NC(=O)COc3ccccc3)C1=O)C(=O)OCc4ccc(cc4)N(=O)=O)O,CC(=C(N1C(SS(=O)(=O)c2ccc(C)cc2)C(NC(=O)COc3ccccc3)C1=O)C(=O)OCc4ccc(cc4)N(=O)=O)O,"InChI=1/C29H27N3O10S2/c1-18-8-14-23(15-9-18)44(39,40)43-28-25(30-24(34)17-41-22-6-4-3-5-7-22)27(35)31(28)26(19(2)33)29(36)42-16-20-10-12-21(13-11-20)32(37)38/h3-15,25,28,33H,16-17H2,1-2H3,(H,30,34)",C29H27N3O10S2,,,,,,XKLYMECUXBBIJO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.262,260-808-6,57561-98-5,"Benzhydryl [2R-[1(Z),2a,3a]]-a-(1-methoxyethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate",diphenylmethyl 3-methoxy-2-(2-{[(4-methylphenyl)sulfonyl]sulfanyl}-4-oxo-3-[(phenoxyacetyl)amino]azetidin-1-yl)but-2-enoate,COC(=C(N1C(SS(=O)(=O)c2ccc(C)cc2)C(NC(=O)COc3ccccc3)C1=O)C(=O)OC(c4ccccc4)c5ccccc5)C,COC(=C(N1C(SS(=O)(=O)c2ccc(C)cc2)C(NC(=O)COc3ccccc3)C1=O)C(=O)OC(c4ccccc4)c5ccccc5)C,"InChI=1/C36H34N2O8S2/c1-24-19-21-29(22-20-24)48(42,43)47-35-31(37-30(39)23-45-28-17-11-6-12-18-28)34(40)38(35)32(25(2)44-3)36(41)46-33(26-13-7-4-8-14-26)27-15-9-5-10-16-27/h4-22,31,33,35H,23H2,1-3H3,(H,37,39)",C36H34N2O8S2,,,,,,NYBNBJUAHGUHSR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.267,260-813-3,57567-83-6,"2,2'-[[3-(dimethylamino)propyl]imino]bisethanol","2,2'-{[3-(dimethylamino)propyl]imino}diethanol",CN(C)CCCN(CCO)CCO,CN(C)CCCN(CCO)CCO,"InChI=1/C9H22N2O2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h12-13H,3-9H2,1-2H3",C9H22N2O2,,,,,,RDOJBMGPKKSKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.429,240-089-5,15958-19-7,2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonic acid,5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonic acid,Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S(O)(=O)=O,Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S(O)(=O)=O,"InChI=1/C17H13ClN2O4S/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,21H,1H3,(H,22,23,24)",C17H13ClN2O4S,,,,,,IYHIFXGFKVJNBB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.699,261-289-9,58497-00-0,"6a,9-difluoro-11ß-hydroxy-16a,17-[isopropylidenebis(oxy)]pregna-1,4-diene-3,20-dione 21-propionate","2-(4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl propionate",CCC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,CCC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,"InChI=1/C27H34F2O7/c1-6-22(33)34-13-20(32)27-21(35-23(2,3)36-27)11-15-16-10-18(28)17-9-14(30)7-8-24(17,4)26(16,29)19(31)12-25(15,27)5/h7-9,15-16,18-19,21,31H,6,10-13H2,1-5H3",C27H34F2O7,,,,,,UBOIMZIXNXGQOH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.700,261-290-4,58498-34-3,4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-2-chlorobenzonitrile,4-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)-2-chlorobenzonitrile,N#Cc1ccc(cc1Cl)N=Nc2ccc(cc2C)N(CCO)CCO,N#Cc1ccc(cc1Cl)N=Nc2ccc(cc2C)N(CCO)CCO,"InChI=1/C18H19ClN4O2/c1-13-10-16(23(6-8-24)7-9-25)4-5-18(13)22-21-15-3-2-14(12-20)17(19)11-15/h2-5,10-11,24-25H,6-9H2,1H3",C18H19ClN4O2,,,,,,AZLVLRPFHNHJOR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.177,260-714-5,57381-56-3,2-chloro-5-fluorobenzonitrile,2-chloro-5-fluorobenzonitrile,Fc1ccc(Cl)c(c1)C#N,Fc1ccc(Cl)c(c1)C#N,InChI=1/C7H3ClFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H,C7H3ClFN,,,,,,HBTXAKDVIXNVHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.182,260-719-2,57402-83-2,"N-methyl-N'-(2-nitrophenyl)-N-[3-[(2-nitrophenyl)amino]propyl]propane-1,3-diamine","N-methyl-N'-(2-nitrophenyl)-N-{3-[(2-nitrophenyl)amino]propyl}propane-1,3-diamine",CN(CCCNc1ccccc1[N+](=O)[O-])CCCNc2ccccc2[N+](=O)[O-],CN(CCCNc1ccccc1[N+](=O)[O-])CCCNc2ccccc2[N+](=O)[O-],"InChI=1/C19H25N5O4/c1-22(14-6-12-20-16-8-2-4-10-18(16)23(25)26)15-7-13-21-17-9-3-5-11-19(17)24(27)28/h2-5,8-11,20-21H,6-7,12-15H2,1H3",C19H25N5O4,,,,,,QINTZFYFQXRHFS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.186,260-723-4,57413-34-0,"N,N-bis(1-methylethyl)hexadecan-1-amide","N,N-diisopropylhexadecanamide",CCCCCCCCCCCCCCCC(=O)N(C(C)C)C(C)C,CCCCCCCCCCCCCCCC(=O)N(C(C)C)C(C)C,"InChI=1/C22H45NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23(20(2)3)21(4)5/h20-21H,6-19H2,1-5H3",C22H45NO,,,,,,SPFIEWHOPDAJLI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.194,260-732-3,57425-17-9,Iridium hydroxide,iridium(3+) trihydroxide,[OH-].[OH-].[OH-].[Ir+3],[OH-].[OH-].[OH-].[Ir+3],InChI=1/Ir.3H2O/h;3*1H2/q+3;;;/p-3,-,,,,,,IUJMNDNTFMJNEL-UHFFFAOYSA-K,,,,,,,,,,,
100.055.196,260-736-5,57439-27-7,2-[2-[4-(diethylamino)phenyl]vinyl]-1-ethylpyridinium iodide,2-{2-[4-(diethylamino)phenyl]vinyl}-1-ethylpyridinium iodide,[I-].CCN(CC)c1ccc(\\C=C\\c2cccc[n+]2CC)cc1,[I-].CCN(CC)c1ccc(\C=C\c2cccc[n+]2CC)cc1,"InChI=1/C19H25N2.HI/c1-4-20(5-2)19-14-11-17(12-15-19)10-13-18-9-7-8-16-21(18)6-3;/h7-16H,4-6H2,1-3H3;1H/q+1;/p-1",C19H25N2.I,,,,,,WZHBDOPQGWBNEU-UHFFFAOYSA-M,,,,,,,,,,,
100.055.202,260-742-8,57453-97-1,Magnesium neodecanoate,"magnesium bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)O[Mg]OC(=O)CC(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)CC(=O)O[Mg]OC(=O)CC(C)(C)CC(C)(C)C,"InChI=1/2C10H20O2.Mg/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Mg,,,,,,ZCRHRFQZYLLXDW-UHFFFAOYSA-L,,,,,,,,,,,
100.055.208,260-749-6,57468-27-6,"N,N'-[oxybis(methylene)]bis[N-phenylaniline]","N,N'-[oxybis(methylene)]bis(N-phenylaniline)",C(OCN(c1ccccc1)c2ccccc2)N(c3ccccc3)c4ccccc4,C(OCN(c1ccccc1)c2ccccc2)N(c3ccccc3)c4ccccc4,"InChI=1/C26H24N2O/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-29-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2",C26H24N2O,,,,,,APRDGZRISPKKRL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.209,260-750-1,57469-07-5,[[2-[p-(oxiranylmethoxy)benzyl]phenoxy]methyl]oxirane,2-({2-[4-(oxiran-2-ylmethoxy)benzyl]phenoxy}methyl)oxirane,C(Oc1ccc(Cc2ccccc2OCC3CO3)cc1)C4CO4,C(Oc1ccc(Cc2ccccc2OCC3CO3)cc1)C4CO4,"InChI=1/C19H20O4/c1-2-4-19(23-13-18-12-22-18)15(3-1)9-14-5-7-16(8-6-14)20-10-17-11-21-17/h1-8,17-18H,9-13H2",C19H20O4,,,,,,KWBKELCPJJUMNV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.210,260-751-7,57469-77-9,L-lysine mono[4-isobutyl-a-methylbenzeneacetate],2-(4-isobutylphenyl)propanoic acid - L-lysine (1:1),CC(C)Cc1ccc(cc1)C(C)C(=O)O.NCCCC[C@H](N)C(=O)O,CC(C)Cc1ccc(cc1)C(C)C(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)",C13H18O2.C6H14N2O2,,,,,,IHHXIUAEPKVVII-ZSCHJXSPSA-N,,,,,,,,,,,
100.055.213,260-754-3,57472-68-1,"Oxybis(methyl-2,1-ethanediyl) diacrylate","oxydipropane-1,2-diyl bisacrylate",CC(COCC(C)OC(=O)C=C)OC(=O)C=C,CC(COCC(C)OC(=O)C=C)OC(=O)C=C,"InChI=1/C12H18O5/c1-5-11(13)16-9(3)7-15-8-10(4)17-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3",C12H18O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14685,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.213,RNJVAUBBYGWVBF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.115,262-846-9,61565-20-6,6-(1-ethoxyethoxy)hex-2-yn-1-ol,6-(1-ethoxyethoxy)hex-2-yn-1-ol,CCOC(C)OCCCC#CCO,CCOC(C)OCCCC#CCO,"InChI=1/C10H18O3/c1-3-12-10(2)13-9-7-5-4-6-8-11/h10-11H,3,5,7-9H2,1-2H3",C10H18O3,,,,,,PNORXTMXJGBDBP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.116,262-847-4,61565-21-7,(E)-6-(1-ethoxyethoxy)hex-2-en-1-ol,6-(1-ethoxyethoxy)hex-2-en-1-ol,CCOC(C)OCCC\\C=C\\CO,CCOC(C)OCCC\C=C\CO,"InChI=1/C10H20O3/c1-3-12-10(2)13-9-7-5-4-6-8-11/h4,6,10-11H,3,5,7-9H2,1-2H3",C10H20O3,,,,,,AVODNDZHWMDWPN-GQCTYLIASA-N,,,,,,,,,,,
100.031.026,234-142-1,10556-98-6,"1,3,5-tri(isopropyl)hexahydro-1,3,5-triazine","1,3,5-triisopropyl-1,3,5-triazinane",CC(C)N1CN(CN(C1)C(C)C)C(C)C,CC(C)N1CN(CN(C1)C(C)C)C(C)C,"InChI=1/C12H27N3/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-12H,7-9H2,1-6H3",C12H27N3,,,,,,FBXRCTMIDHCRDT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.031,234-147-9,10563-26-5,"N,N'-bis(3-aminopropyl)ethylenediamine","N~1~',N~3~-ethane-1,2-diyldipropane-1,3-diamine",NCCCNCCNCCCN,NCCCNCCNCCCN,"InChI=1/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2",C8H22N4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13382,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.031,RXFCIXRFAJRBSG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.032,234-148-4,10563-29-8,"N'-(3-aminopropyl)-N,N-dimethylpropane-1,3-diamine","N'-(3-aminopropyl)-N,N-dimethylpropane-1,3-diamine",CN(C)CCCNCCCN,CN(C)CCCNCCCN,"InChI=1/C8H21N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-9H2,1-2H3",C8H21N3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12651,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.032,OMKZWUPRGQMQJC-UHFFFAOYSA-N,Positive,EQ300701|EQ300702|EQ300703|EQ300704|EQ300705|EQ300706,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,86.0965:160.1809:115.123|86.0965:160.1809:115.123|86.0965:115.1231:98.0965|86.0965:98.0965:58.0653|86.0965:58.0652:98.0965|58.0652:86.0965:98.0965,Eawag,,,,,
100.031.036,234-153-1,10567-86-9,5-oxo-1-phenyl-2-thioxoimidazolidine-4-propionamide,3-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)propanamide,NC(=O)CCC1NC(=S)N(C1=O)c2ccccc2,NC(=O)CCC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C12H13N3O2S/c13-10(16)7-6-9-11(17)15(12(18)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,18)",C12H13N3O2S,,,,,,UNCINZHSIAEDPO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.037,234-154-7,10569-72-9,(±)-3-amino-2-methylpropionic acid,3-amino-2-methylpropanoic acid,CC(CN)C(=O)O,CC(CN)C(=O)O,"InChI=1/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",C4H9NO2,,,,,,QCHPKSFMDHPSNR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.038,234-155-2,10570-68-0,"4-cyclohexyl-2,6-xylenol","4-cyclohexyl-2,6-dimethylphenol",Cc1cc(cc(C)c1O)C2CCCCC2,Cc1cc(cc(C)c1O)C2CCCCC2,"InChI=1/C14H20O/c1-10-8-13(9-11(2)14(10)15)12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3",C14H20O,,,,,,JEOOYEDQODNSOL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.040,234-157-3,10572-34-6,Cicliomenol,"2-cyclohexyl-4-iodo-3,5-dimethylphenol",Cc1cc(O)c(C2CCCCC2)c(C)c1I,Cc1cc(O)c(C2CCCCC2)c(C)c1I,"InChI=1/C14H19IO/c1-9-8-12(16)13(10(2)14(9)15)11-6-4-3-5-7-11/h8,11,16H,3-7H2,1-2H3",C14H19IO,,,,,,YDHKCEOBMPNVDR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.041,234-158-9,10572-60-8,1-[(1-methylethyl)amino]-4-[(4-methylphenyl)amino]anthraquinone,"1-(isopropylamino)-4-[(4-methylphenyl)amino]-9,10-anthraquinone",CC(C)Nc1ccc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c13,CC(C)Nc1ccc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C24H22N2O2/c1-14(2)25-19-12-13-20(26-16-10-8-15(3)9-11-16)22-21(19)23(27)17-6-4-5-7-18(17)24(22)28/h4-14,25-26H,1-3H3",C24H22N2O2,,,,,,NCZARQFBEZFMSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.043,234-161-5,10574-01-3,(Z)-N-isopropyl-9-octadecenamide,N-isopropyloctadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NC(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)NC(C)C,"InChI=1/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3,(H,22,23)",C21H41NO,,,,,,FJMNGVBYKSEJNP-QXMHVHEDSA-N,,,,,,,,,,,
100.031.044,234-162-0,10574-66-0,3-ethyl-2-thioxooxazolidin-4-one,"3-ethyl-2-thioxo-1,3-oxazolidin-4-one",CCN1C(=O)COC1=S,CCN1C(=O)COC1=S,"InChI=1/C5H7NO2S/c1-2-6-4(7)3-8-5(6)9/h2-3H2,1H3",C5H7NO2S,,,,,,ZILKBTSQUZJHOI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.960,235-169-1,12111-24-9,Calcium trisodium pentetate,"calcium trisodium 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate",[Na+].[Na+].[Na+].[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[Na+].[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C14H23N3O10.Ca.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5",C14H18CaN3O10.3Na,,,,,,AYFCVLSUPGCQKD-UHFFFAOYSA-I,,,,,,,,,,,
100.031.964,235-173-3,12115-85-4,Ethylidynemethylammonium hexafluorophosphate,N-ethylidynemethanaminium hexafluorophosphate,CC#[N+]C.F[P-](F)(F)(F)(F)F,CC#[N+]C.F[P-](F)(F)(F)(F)F,"InChI=1/C3H6N.F6P/c1-3-4-2;1-7(2,3,4,5)6/h1-2H3;/q+1;-1",C3H6N.F6P,,,,,,GRTLHYZVSRRRGM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.015,245-133-7,22619-36-9,"4',5-dichloro-2-thienylchalcone",1-(4-chlorophenyl)-3-[5-chloro-2-(2-thienyl)phenyl]prop-2-en-1-one,Clc1ccc(cc1)C(=O)\\C=C\\c2cc(Cl)ccc2c3cccs3,Clc1ccc(cc1)C(=O)\C=C\c2cc(Cl)ccc2c3cccs3,InChI=1/C19H12Cl2OS/c20-15-6-3-13(4-7-15)18(22)10-5-14-12-16(21)8-9-17(14)19-2-1-11-23-19/h1-12H,C13H8Cl2OS,,,,,,PYNRSLVTMKQZAW-BJMVGYQFSA-N,,,,,,,,,,,
100.041.017,245-135-8,22620-93-5,Aluminium decanoate,aluminum tridecanoate,[Al+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/3C10H20O2.Al/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3",C10H20O2.1/3Al,,,,,,ISGZBAMXNZISAX-UHFFFAOYSA-K,,,,,,,,,,,
100.041.019,245-137-9,22625-57-6,5-chloromethyloxazolidin-2-one,"5-(chloromethyl)-1,3-oxazolidin-2-one",ClCC1CNC(=O)O1,ClCC1CNC(=O)O1,"InChI=1/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)",C4H6ClNO2,,,,,,FNOZCEQRXKPZEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.245,260-789-4,57526-50-8,"Octahydro-4,7-methano-1H-indene-5-methanol","octahydro-1H-4,7-methanoinden-5-ylmethanol",OCC1CC2CC1C3CCCC23,OCC1CC2CC1C3CCCC23,"InChI=1/C11H18O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h7-12H,1-6H2",C11H18O,,,,,,HSPRVWPULGKMRC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.249,260-794-1,57530-25-3,Thiazol-2-amine mononitrate,"1,3-thiazol-2-amine nitrate",Nc1nccs1.O[N+](=O)[O-],Nc1nccs1.O[N+](=O)[O-],"InChI=1/C3H4N2S.HNO3/c4-3-5-1-2-6-3;2-1(3)4/h1-2H,(H2,4,5);(H,2,3,4)",C3H4N2S.HNO3,,,,,,VLQODIZGYLUQIR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.880,262-588-7,61085-47-0,Sodium 1-benzyl-4-(phenylamino)piperidine-4-carboxylate,sodium 4-anilino-1-benzylpiperidine-4-carboxylate,[Na+].[O-]C(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,[Na+].[O-]C(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C19H22N2O2.Na/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);/q;+1/p-1",C19H22N2O2.Na,,,,,,BVMUUCRIMILCIA-UHFFFAOYSA-M,,,,,,,,,,,
100.056.883,262-591-3,61085-79-8,cis-3-methyl-4-(phenylamino)piperidine-4-carboxamide,4-anilino-3-methylpiperidine-4-carboxamide,C[C@H]1CNCC[C@]1(Nc2ccccc2)C(=O)N,C[C@H]1CNCC[C@]1(Nc2ccccc2)C(=O)N,"InChI=1/C13H19N3O/c1-10-9-15-8-7-13(10,12(14)17)16-11-5-3-2-4-6-11/h2-6,10,15-16H,7-9H2,1H3,(H2,14,17)",C13H19N3O,,,,,,AYSXUQVRTPEXOH-GXFFZTMASA-N,,,,,,,,,,,
100.058.780,264-677-6,64114-59-6,[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] hydrogen adipate,6-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}-6-oxohexanoic acid,OCCOCCOCCOC(=O)CCCCC(=O)O,OCCOCCOCCOC(=O)CCCCC(=O)O,"InChI=1/C12H22O7/c13-5-6-17-7-8-18-9-10-19-12(16)4-2-1-3-11(14)15/h13H,1-10H2,(H,14,15)",C12H22O7,,,,,,ZJRNXLJWZAVCCB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.784,264-681-8,64123-64-4,2-(chloromethyl)-1-(1-methylethyl)-4-nitrobenzene,2-(chloromethyl)-1-isopropyl-4-nitrobenzene,CC(C)c1ccc(cc1CCl)[N+](=O)[O-],CC(C)c1ccc(cc1CCl)[N+](=O)[O-],"InChI=1/C10H12ClNO2/c1-7(2)10-4-3-9(12(13)14)5-8(10)6-11/h3-5,7H,6H2,1-2H3",C10H12ClNO2,,,,,,BCSRQPDGMAVORY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.788,264-686-5,64131-06-2,Magnesium trisodium hydrogen bis(phosphate),magnesium trisodium hydrogen bis(phosphate),[Na+].[Na+].[Na+].[Mg+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Mg+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Mg.3Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+2;3*+1;;/p-6",H3O4P.1/2Mg.3/2Na,,,,,,OPAHGRFYRSELCN-UHFFFAOYSA-H,,,,,,,,,,,
100.058.792,264-690-7,64131-22-2,"2,2-bis(hydroxymethyl)butyl palmitate","2,2-bis(hydroxymethyl)butyl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C22H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)26-20-22(4-2,18-23)19-24/h23-24H,3-20H2,1-2H3",C22H44O4,,,,,,ROXXKZWLQOWAJU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.799,264-698-0,64134-59-4,Methyl 5-azido-2-(4-methoxyphenyl)aminobenzoate,methyl 5-azido-2-[(4-methoxyphenyl)amino]benzoate,COC(=O)c1cc(ccc1Nc2ccc(OC)cc2)N=[N+]=[N-],COC(=O)c1cc(ccc1Nc2ccc(OC)cc2)N=[N+]=[N-],"InChI=1/C15H14N4O3/c1-21-12-6-3-10(4-7-12)17-14-8-5-11(18-19-16)9-13(14)15(20)22-2/h3-9,17H,1-2H3",C15H14N4O3,,,,,,RYNBACWGOZCQIF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.802,264-702-0,64137-49-1,"4-[4-[5-[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazole-4-ylidene]-1,3-pentadienyl]-5-hydroxy-3-methyl-1H-pyrazole-1-yl]benzoic acid","4-(4-{5-[1-(4-carboxyphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]penta-2,4-dien-1-ylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid",OC(=O)c1ccc(cc1)n4nc(C)c(C=CC=CC=C3C(\\C)=N/N(c2ccc(cc2)C(O)=O)C3=O)c4O,OC(=O)c1ccc(cc1)n4nc(C)c(C=CC=CC=C3C(\C)=N/N(c2ccc(cc2)C(O)=O)C3=O)c4O,"InChI=1/C27H22N4O6/c1-16-22(24(32)30(28-16)20-12-8-18(9-13-20)26(34)35)6-4-3-5-7-23-17(2)29-31(25(23)33)21-14-10-19(11-15-21)27(36)37/h3-15,32H,1-2H3,(H,34,35)(H,36,37)",C27H22N4O6,,,,,,SITFCWYYKQIHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.808,264-708-3,64153-50-0,"2,2'-[[3,5-bis(1,1-dimethylethyl)phenyl]imino]bisethanol","2,2'-[(3,5-di-tert-butylphenyl)imino]diethanol",CC(C)(C)c1cc(cc(c1)C(C)(C)C)N(CCO)CCO,CC(C)(C)c1cc(cc(c1)C(C)(C)C)N(CCO)CCO,"InChI=1/C18H31NO2/c1-17(2,3)14-11-15(18(4,5)6)13-16(12-14)19(7-9-20)8-10-21/h11-13,20-21H,7-10H2,1-6H3",C18H31NO2,,,,,,HLDMOJRATBJDBV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.811,264-712-5,64158-75-4,2-aminohydroquinone hydrobromide,"2-aminobenzene-1,4-diol hydrobromide",Br.Nc1cc(O)ccc1O,Br.Nc1cc(O)ccc1O,"InChI=1/C6H7NO2.BrH/c7-5-3-4(8)1-2-6(5)9;/h1-3,8-9H,7H2;1H",C6H7NO2.BrH,,,,,,XZIOUMGSBKWPFC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.813,264-714-6,64164-99-4,"2-[4-(1,1-dimethylpropyl)benzoyl]benzoic acid","2-[4-(1,1-dimethylpropyl)benzoyl]benzoic acid",CCC(C)(C)c1ccc(cc1)C(=O)c2ccccc2C(=O)O,CCC(C)(C)c1ccc(cc1)C(=O)c2ccccc2C(=O)O,"InChI=1/C19H20O3/c1-4-19(2,3)14-11-9-13(10-12-14)17(20)15-7-5-6-8-16(15)18(21)22/h5-12H,4H2,1-3H3,(H,21,22)",C19H20O3,,,,,,TWBTUJMPFAKNMV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.817,264-718-8,64169-92-2,"1,6-dihydro-4-hydroxy-2-methyl-6-oxonicotinonitrile","4-hydroxy-2-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile",CC1=C(C#N)C(=CC(=O)N1)O,CC1=C(C#N)C(=CC(=O)N1)O,"InChI=1/C7H6N2O2/c1-4-5(3-8)6(10)2-7(11)9-4/h2H,1H3,(H2,9,10,11)",C7H6N2O2,,,,,,OLTATMRIIFNCTG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.435,240-095-8,15959-40-7,N-butyldioctylamine,N-butyl-N-octyloctan-1-amine,CCCCCCCCN(CCCC)CCCCCCCC,CCCCCCCCN(CCCC)CCCCCCCC,"InChI=1/C20H43N/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2/h4-20H2,1-3H3",C20H43N,,,,,,RCIGOSUMVYRJEC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.436,240-096-3,15961-23-6,3-(trichlorogermyl)propionic acid,3-(trichlorogermyl)propanoic acid,OC(=O)CC[Ge](Cl)(Cl)Cl,OC(=O)CC[Ge](Cl)(Cl)Cl,"InChI=1/C3H5Cl3GeO2/c4-7(5,6)2-1-3(8)9/h1-2H2,(H,8,9)",C3H5Cl3GeO2,,,,,,NLIJOIUVZBYQRS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.445,240-107-1,15968-02-2,Dipotassium 5-tert-butylisophthalate,dipotassium 5-tert-butylisophthalate,[K+].[K+].CC(C)(C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-],[K+].[K+].CC(C)(C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-],"InChI=1/C12H14O4.2K/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16;;/h4-6H,1-3H3,(H,13,14)(H,15,16);;/q;2*+1/p-2",C12H14O4.2K,,,,,,WSEOCKWZDYMTPH-UHFFFAOYSA-L,,,,,,,,,,,
100.036.446,240-108-7,15968-37-3,"1,3,4,6-tetrakis(butoxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,4,6-tetrakis(butoxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",CCCCOCN1C2C(N(COCCCC)C(=O)N2COCCCC)N(COCCCC)C1=O,CCCCOCN1C2C(N(COCCCC)C(=O)N2COCCCC)N(COCCCC)C1=O,"InChI=1/C24H46N4O6/c1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2/h21-22H,5-20H2,1-4H3",C24H46N4O6,,,,,,UUOUGRUMSRMJHY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.448,240-110-8,15972-60-8,Alachlor,"2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide",CCc1cccc(CC)c1N(COC)C(=O)CCl,CCc1cccc(CC)c1N(COC)C(=O)CCl,"InChI=1/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",C14H20ClNO2,,,,,,XCSGPAVHZFQHGE-UHFFFAOYSA-N,Positive,AU322501|AU322502|AU322503|AU322504|AU322505;EA027401|EA027402|EA027403|EA027404|EA027405|EA027406|EA027407|EA027408|EA027409|EA027410|EA027411|EA027412|EA027413|EA027414,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,238.0987:240.0954:270.125|162.1269:238.0987:240.0954|162.1271:147.1034:163.1301|147.1034:132.08:162.1269|132.0798:147.1031:117.0567;238.0995:224.0839:162.1278|238.0992:270.1254:162.1275|238.0992:162.1276:224.0835|162.1278:238.0993:163.1117|162.1276:147.1042:163.1115|147.1043:162.1278:132.0809|147.1042:132.0807:162.1277|238.0994:270.1256:162.1278|238.0993:162.1278:224.0836|162.1278:238.0992:163.1118|162.1278:147.1042:163.1117|147.1042:162.1277:132.0807|132.0807:147.1042:146.0964|238.0994:162.1276:208.0886,Athens_Univ;Eawag,,,,,
100.036.453,240-116-0,15979-19-8,"3-ethyl-2-[[3-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]benzothiazolium iodide","3-ethyl-2-{[3-(3-{3-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-1-en-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]methyl}-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]5c6ccccc6sc5C=C1\\C=C(/CC(C)(C)C1)C=CC=C2\\C=C(/CC(C)(C)C2)C=C4Sc3ccccc3N4CC,[I-].CC[n+]5c6ccccc6sc5C=C1\C=C(/CC(C)(C)C1)C=CC=C2\C=C(/CC(C)(C)C2)C=C4Sc3ccccc3N4CC,"InChI=1/C39H45N2S2.HI/c1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;/h9-23H,7-8,24-27H2,1-6H3;1H/q+1;/p-1",C39H45N2S2.I,,,,,,FNPCQDVGQPFHND-UHFFFAOYSA-M,,,,,,,,,,,
100.036.458,240-121-8,15986-80-8,2-methyl-3-propylpyrazine,2-methyl-3-propylpyrazine,CCCc1nccnc1C,CCCc1nccnc1C,"InChI=1/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3",C8H12N2,,,,,,XAWKNALRUSOTOY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.460,240-123-9,15986-93-3,"2-ethyl-5,6-dihydro-3-methylpyrazine","5-ethyl-6-methyl-2,3-dihydropyrazine",CCC1=NCCN=C1C,CCC1=NCCN=C1C,"InChI=1/C7H12N2/c1-3-7-6(2)8-4-5-9-7/h3-5H2,1-2H3",C7H12N2,,,,,,KVMUMGRJMXZCMW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.461,240-124-4,15986-96-6,"2-butyl-5,6-dihydro-3-methylpyrazine","5-butyl-6-methyl-2,3-dihydropyrazine",CCCCC1=NCCN=C1C,CCCCC1=NCCN=C1C,"InChI=1/C9H16N2/c1-3-4-5-9-8(2)10-6-7-11-9/h3-7H2,1-2H3",C9H16N2,,,,,,PATGXOSMIGXGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.468,240-132-8,15999-06-1,"3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonic) acid","3-({4-[({4-[(4,8-disulfo-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonic acid",COc6cc(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S(O)(=O)=O)S(O)(=O)=O)cc5OC,COc6cc(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S(O)(=O)=O)S(O)(=O)=O)cc5OC,"InChI=1/C37H32N6O15S4/c1-19-11-29(31(57-3)17-27(19)42-40-21-13-25-23(35(15-21)61(51,52)53)7-5-9-33(25)59(45,46)47)38-37(44)39-30-12-20(2)28(18-32(30)58-4)43-41-22-14-26-24(36(16-22)62(54,55)56)8-6-10-34(26)60(48,49)50/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)",C37H32N6O15S4,,,,,,PYZZWCXOEADQTK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.469,240-133-3,16000-39-8,2-methoxy-1-naphthonitrile,2-methoxy-1-naphthonitrile,COc1ccc2ccccc2c1C#N,COc1ccc2ccccc2c1C#N,"InChI=1/C12H9NO/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7H,1H3",C12H9NO,,,,,,KPIZWRFKCSLGQK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.079,260-605-2,57170-05-5,Dipotassium octadec-2-enylsuccinate,dipotassium 2-octadec-2-en-1-ylsuccinate,[K+].[K+].[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,[K+].[K+].[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C22H40O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;;/h16-17,20H,2-15,18-19H2,1H3,(H,23,24)(H,25,26);;/q;2*+1/p-2",C22H40O4.2K,,,,,,KBODHJSZTFLROJ-UHFFFAOYSA-L,,,,,,,,,,,
100.058.751,264-645-1,64057-79-0,Bis(2-methylallyl) carbonate,bis(2-methylprop-2-en-1-yl) carbonate,CC(=C)COC(=O)OCC(=C)C,CC(=C)COC(=O)OCC(=C)C,"InChI=1/C9H14O3/c1-7(2)5-11-9(10)12-6-8(3)4/h1,3,5-6H2,2,4H3",C9H14O3,,,,,,SKCUYCAPQSWGBP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.753,264-647-2,64062-73-3,"2,2'-methylenebis[6-cyclopentyl-p-cresol]","2,2'-methylenebis(6-cyclopentyl-4-methylphenol)",Cc1cc(Cc2cc(C)cc(C3CCCC3)c2O)c(O)c(c1)C4CCCC4,Cc1cc(Cc2cc(C)cc(C3CCCC3)c2O)c(O)c(c1)C4CCCC4,"InChI=1/C25H32O2/c1-16-11-20(24(26)22(13-16)18-7-3-4-8-18)15-21-12-17(2)14-23(25(21)27)19-9-5-6-10-19/h11-14,18-19,26-27H,3-10,15H2,1-2H3",C25H32O2,,,,,,IZJOSLLELCZERT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.754,264-648-8,64062-76-6,"Disodium 2,2'-[(octylimino)bis[(1-oxopropane-3,1-diyl)imino]]bis[2-methylpropanesulphonate]","disodium 2,2'-{(octylimino)bis[(1-oxopropane-3,1-diyl)imino]}bis(2-methylpropane-1-sulfonate) (non-preferred name)",[Na+].[Na+].CCCCCCCCN(CCC(=O)NC(C)(C)CS(=O)(=O)[O-])CCC(=O)NC(C)(C)CS(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCN(CCC(=O)NC(C)(C)CS(=O)(=O)[O-])CCC(=O)NC(C)(C)CS(=O)(=O)[O-],"InChI=1/C22H45N3O8S2.2Na/c1-6-7-8-9-10-11-14-25(15-12-19(26)23-21(2,3)17-34(28,29)30)16-13-20(27)24-22(4,5)18-35(31,32)33;;/h6-18H2,1-5H3,(H,23,26)(H,24,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C22H45N3O8S2.2Na,,,,,,IPMVUCNHGNYNPF-UHFFFAOYSA-L,,,,,,,,,,,
100.058.758,264-653-5,64070-16-2,"1-(2,2-dimethyl-6-methylenecyclohexyl)pent-1-en-3-one","1-(2,2-dimethyl-6-methylenecyclohexyl)pent-1-en-3-one",C=C1CCCC(C)(C)C1C=CC(=O)CC,C=C1CCCC(C)(C)C1C=CC(=O)CC,"InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,13H,2,5-7,10H2,1,3-4H3",C14H22O,,,,,,VBPVRSYPVFNWFV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.774,264-670-8,64098-32-4,Zapizolam,"8-chloro-6-(2-chlorophenyl)-4H-pyrido[2,3-f][1,2,4]triazolo[4,3-a][1,4]diazepine",Clc1ccc2c(n1)C(=NCc3nncn23)c4ccccc4Cl,Clc1ccc2c(n1)C(=NCc3nncn23)c4ccccc4Cl,"InChI=1/C15H9Cl2N5/c16-10-4-2-1-3-9(10)14-15-11(5-6-12(17)20-15)22-8-19-21-13(22)7-18-14/h1-6,8H,7H2",C15H9Cl2N5,,,,,,FOWABKOXWTZAKY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.379,267-537-2,67875-22-3,2-methoxy-4-[(2-methoxy-5-sulphophenyl)azo]-5-methylbenzenediazonium chloride,2-methoxy-4-[(2-methoxy-5-sulfophenyl)diazenyl]-5-methylbenzenediazonium chloride,[Cl-].COc2ccc(cc2N=Nc1cc(OC)c([N+]#N)cc1C)S(O)(=O)=O,[Cl-].COc2ccc(cc2N=Nc1cc(OC)c([N+]#N)cc1C)S(O)(=O)=O,"InChI=1/C15H14N4O5S.ClH/c1-9-6-12(17-16)15(24-3)8-11(9)18-19-13-7-10(25(20,21)22)4-5-14(13)23-2;/h4-8H,1-3H3;1H",C15H15N4O5S.Cl,,,,,,GMYHNYHDXHJGMI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.387,267-546-1,67875-30-3,"Disodium 3-[(4-amino-5-methoxy-o-tolyl)azo]naphthalene-1,5-disulphonate","disodium 3-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonate",[Na+].[Na+].Nc1cc(C)c(cc1OC)N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Nc1cc(C)c(cc1OC)N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C18H17N3O7S2.2Na/c1-10-6-14(19)16(28-2)9-15(10)21-20-11-7-13-12(18(8-11)30(25,26)27)4-3-5-17(13)29(22,23)24;;/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H17N3O7S2.2Na,,,,,,AGQCDNFPYKDZBO-UHFFFAOYSA-L,,,,,,,,,,,
100.061.391,267-550-3,67879-60-1,"2-isopropyl-4-methyl-1,3-dioxolane","2-isopropyl-4-methyl-1,3-dioxolane",CC(C)C1OCC(C)O1,CC(C)C1OCC(C)O1,"InChI=1/C7H14O2/c1-5(2)7-8-4-6(3)9-7/h5-7H,4H2,1-3H3",C7H14O2,,,,,,NWXXKKDLGZLEGH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.393,267-552-4,67883-77-6,3-phenylallyl 2-methylbutyrate,3-phenylprop-2-en-1-yl 2-methylbutanoate,CCC(C)C(=O)OC\\C=C\\c1ccccc1,CCC(C)C(=O)OC\C=C\c1ccccc1,"InChI=1/C14H18O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h4-10,12H,3,11H2,1-2H3",C14H18O2,,,,,,OQFRRXKRZQFDEI-JXMROGBWSA-N,,,,,,,,,,,
100.061.394,267-554-5,67883-79-8,(Z)-3-hexenyl 2-methylcrotonate,hex-3-en-1-yl 2-methylbut-2-enoate,CC\\C=C/CCOC(=O)\\C(=C\\C)\\C,CC\C=C/CCOC(=O)\C(=C\C)\C,"InChI=1/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3",C11H18O2,,,,,,JNWQKXUWZWKUAY-JQEGGOPCSA-N,,,,,,,,,,,
100.055.708,261-299-3,58505-81-0,Magnesium 4-oxovalerate,magnesium bis(4-oxopentanoate),[Mg+2].CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-],[Mg+2].CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-],"InChI=1/2C5H8O3.Mg/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2",C5H8O3.1/2Mg,,,,,,RECCGACJWKEPOU-UHFFFAOYSA-L,,,,,,,,,,,
100.055.715,261-307-5,58524-83-7,Ciprocinonide,"2-(4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl cyclopropanecarboxylate",CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)C6CC6,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)C6CC6,"InChI=1/C28H34F2O7/c1-24(2)36-22-11-16-17-10-19(29)18-9-15(31)7-8-25(18,3)27(17,30)20(32)12-26(16,4)28(22,37-24)21(33)13-35-23(34)14-5-6-14/h7-9,14,16-17,19-20,22,32H,5-6,10-13H2,1-4H3",C28H34F2O7,,,,,,TZBDXWBBMOEVPI-XBQQDWOSSA-N,,,,,,,,,,,
100.055.716,261-308-0,58524-92-8,Isopentadecan-1-ol,13-methyltetradecan-1-ol,CC(C)CCCCCCCCCCCCO,CC(C)CCCCCCCCCCCCO,"InChI=1/C15H32O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3",C15H32O,,,,,,FDAZSZUYCOPJED-UHFFFAOYSA-N,,,,,,,,,,,
100.041.021,245-140-5,22629-06-7,Ethyl 3-(bicyclo[2.2.1]hept-5-en-2-yl)-2-cyanoacrylate,ethyl 3-bicyclo[2.2.1]hept-5-en-2-yl-2-cyanoacrylate,CCOC(=O)\\C(=C\\C1CC2CC1C=C2)\\C#N,CCOC(=O)\C(=C\C1CC2CC1C=C2)\C#N,"InChI=1/C13H15NO2/c1-2-16-13(15)12(8-14)7-11-6-9-3-4-10(11)5-9/h3-4,7,9-11H,2,5-6H2,1H3",C13H15NO2,,,,,,QDKKMCUNXYYFMC-KPKJPENVSA-N,,,,,,,,,,,
100.041.023,245-142-6,22629-49-8,Tridec-2-enenitrile,tridec-2-enenitrile,CCCCCCCCCCC=CC#N,CCCCCCCCCCC=CC#N,"InChI=1/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3",C13H23N,,,,,,WKSPQBFDRTUGEF-UHFFFAOYSA-N,,,,,,,,,,,
100.041.025,245-144-7,22633-33-6,"Methyl 3,5-dinitrosalicylate","methyl 2-hydroxy-3,5-dinitrobenzoate",COC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],COC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1H3",C8H6N2O7,,,,,,UMELTKSLWXJXNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.033,245-153-6,22677-47-0,Magnesium diricinoleate,magnesium bis(12-hydroxyoctadec-9-enoate),[Mg+2].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Mg+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O3.Mg/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H34O3.1/2Mg,,,,,,GMIMAWFYOOIAQD-GNNYBVKZSA-L,,,,,,,,,,,
100.041.035,245-155-7,22680-61-1,"7-[2-(benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","7-[2-(benzylamino)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCNCc3ccccc3)c2C1=O,CN1C(=O)N(C)c2ncn(CCNCc3ccccc3)c2C1=O,"InChI=1/C16H19N5O2/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3",C16H19N5O2,,,,,,YYJAAIPVBNSAGS-UHFFFAOYSA-N,,,,,,,,,,,
100.041.036,245-156-2,22680-91-7,"9,10-dihydro-9,10-dioxoanthracene-2,6-disulphonic acid, sodium salt","sodium 9,10-dioxo-6-sulfo-9,10-dihydroanthracene-2-sulfonate",OS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)O[Na],OS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)O[Na],"InChI=1/C14H8O8S2.Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;/h1-6H,(H,17,18,19)(H,20,21,22);/q;+1/p-1/rC14H7NaO8S2/c15-23-25(21,22)8-2-4-10-12(6-8)14(17)9-3-1-7(24(18,19)20)5-11(9)13(10)16/h1-6H,(H,18,19,20)",C14H8O8S2.xNa,,,,,,UPYATISLEPWPOB-UHFFFAOYSA-M,,,,,,,,,,,
100.041.037,245-157-8,22680-92-8,"9,10-dihydro-9,10-dioxoanthracene-1,5-disulphonic acid, sodium salt","sodium 9,10-dioxo-5-sulfo-9,10-dihydroanthracene-1-sulfonate",OS(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)O[Na])C(=O)c12,OS(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)O[Na])C(=O)c12,"InChI=1/C14H8O8S2.Na/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22;/h1-6H,(H,17,18,19)(H,20,21,22);/q;+1/p-1/rC14H7NaO8S2/c15-23-25(21,22)10-6-2-4-8-12(10)14(17)7-3-1-5-9(24(18,19)20)11(7)13(8)16/h1-6H,(H,18,19,20)",C14H8O8S2.xNa,,,,,,BTSHTKNKUAJMAD-UHFFFAOYSA-M,,,,,,,,,,,
100.041.047,245-168-8,22709-76-8,"4,4-dibutyl-1,3-dioxa-2-thia-4-stannacyclobutane 2,2-dioxide","4,4-dibutyl-1,3,2,4-dioxathiastannetane 2,2-dioxide",CCCC[Sn]1(CCCC)OS(=O)(=O)O1,CCCC[Sn]1(CCCC)OS(=O)(=O)O1,"InChI=1/2C4H9.H2O4S.Sn/c2*1-3-4-2;1-5(2,3)4;/h2*1,3-4H2,2H3;(H2,1,2,3,4);/q;;;+2/p-2/rC8H18O4SSn/c1-3-5-7-14(8-6-4-2)11-13(9,10)12-14/h3-8H2,1-2H3",C8H18O4SSn,,,,,,BEOSQUOYHDCDNU-UHFFFAOYSA-L,,,,,,,,,,,
100.041.049,245-170-9,22713-46-8,Benzene-m-disulphonate,"benzene-1,3-disulfonic acid",OS(=O)(=O)c1cccc(c1)S(=O)(=O)O,OS(=O)(=O)c1cccc(c1)S(=O)(=O)O,"InChI=1/C6H6O6S2/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)",C6H4O6S2,,,,,,WRUAHXANJKHFIL-UHFFFAOYSA-N,,,,,,,,,,,
100.041.052,245-174-0,22719-15-9,Ethylenediamine tartrate,"ethane-1,2-diamine 2,3-dihydroxysuccinate (salt)",NCCN.OC(C(O)C(=O)O)C(=O)O,NCCN.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C4H6O6.C2H8N2/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);1-4H2",C4H6O6.xC2H8N2,,,,,,QFJAZXGJBIMYLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.058,245-180-3,22729-75-5,"N-phenyl-N-[(1,1,2,2-tetrachloro-2-fluoroethyl)thio]methanesulphonamide","N-phenyl-N-[(1,1,2,2-tetrachloro-2-fluoroethyl)sulfanyl]methanesulfonamide",CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1,CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1,"InChI=1/C9H8Cl4FNO2S2/c1-19(16,17)15(7-5-3-2-4-6-7)18-9(12,13)8(10,11)14/h2-6H,1H3",C9H8Cl4FNO2S2,,,,,,SVIKNKPDPGCMAE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.033,240-752-9,16700-97-3,Zinc tetraoctadecyl bis(phosphate),zinc bis(dioctadecyl phosphate),CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)O[Zn]OP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)O[Zn]OP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1/2C36H75O4P.Zn/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*3-36H2,1-2H3,(H,37,38);/q;;+2/p-2/rC72H148O8P2Zn/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-75-81(73,76-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)79-83-80-82(74,77-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)78-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3",C36H75O4P.1/2Zn,,,,,,URFPYADUEZJYDO-UHFFFAOYSA-L,,,,,,,,,,,
100.037.040,240-760-2,16713-15-8,"4-amino-N,N-diethylaniline hydrochloride","N,N-diethylbenzene-1,4-diamine hydrochloride",Cl.CCN(CC)c1ccc(N)cc1,Cl.CCN(CC)c1ccc(N)cc1,"InChI=1/C10H16N2.ClH/c1-3-12(4-2)10-7-5-9(11)6-8-10;/h5-8H,3-4,11H2,1-2H3;1H",C10H16N2.xClH,,,,,,XTBFKMDOQMQYPP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.818,264-719-3,64173-96-2,"Sodium 3-diazo-3,4-dihydro-4-oxonaphthalene-1-sulphonate","sodium 3-diazo-4-oxo-3,4-dihydronaphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc12,[Na+].[O-]S(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc12,"InChI=1/C10H6N2O4S.Na/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13;/h1-5H,(H,14,15,16);/q;+1/p-1",C10H6N2O4S.Na,,,,,,JUMZSWMMQMLYIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.061.423,267-585-4,67892-52-8,Tetrakis[(phosphonooxy)methyl]urea,"7,7-dihydroxy-7-oxido-3-oxo-2,4-bis[(phosphonooxy)methyl]-6-oxa-2,4-diaza-7-phosphahept-1-yl dihydrogen phosphate",OP(=O)(O)OCN(COP(=O)(O)O)C(=O)N(COP(=O)(O)O)COP(=O)(O)O,OP(=O)(O)OCN(COP(=O)(O)O)C(=O)N(COP(=O)(O)O)COP(=O)(O)O,"InChI=1/C5H16N2O17P4/c8-5(6(1-21-25(9,10)11)2-22-26(12,13)14)7(3-23-27(15,16)17)4-24-28(18,19)20/h1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)",C5H16N2O17P4,,,,,,VKUHDPIXVOOUAH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.428,267-591-7,67892-57-3,"Tetrasodium 4,4'-[(1-methylethylidene)bis(1,4-phenyleneoxy)]bisphthalate","tetrasodium 4,4'-[propane-2,2-diylbis(4,1-phenyleneoxy)]diphthalate",[Na+].[Na+].[Na+].[Na+].CC(C)(c1ccc(Oc2ccc(C(=O)[O-])c(c2)C(=O)[O-])cc1)c3ccc(Oc4ccc(C(=O)[O-])c(c4)C(=O)[O-])cc3,[Na+].[Na+].[Na+].[Na+].CC(C)(c1ccc(Oc2ccc(C(=O)[O-])c(c2)C(=O)[O-])cc1)c3ccc(Oc4ccc(C(=O)[O-])c(c4)C(=O)[O-])cc3,"InChI=1/C31H24O10.4Na/c1-31(2,17-3-7-19(8-4-17)40-21-11-13-23(27(32)33)25(15-21)29(36)37)18-5-9-20(10-6-18)41-22-12-14-24(28(34)35)26(16-22)30(38)39;;;;/h3-16H,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39);;;;/q;4*+1/p-4",C31H24O10.4Na,,,,,,OMMYRRROPNMZAF-UHFFFAOYSA-J,,,,,,,,,,,
100.061.451,267-617-7,67893-42-9,Disodium 4-[2-[(12-hydroxy-1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-{2-[(12-hydroxyoctadec-9-enoyl)amino]ethoxy}-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OCCNC(=O)CCCCCCCC=CCC(O)CCCCCC)C(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OCCNC(=O)CCCCCCCC=CCC(O)CCCCCC)C(=O)[O-],"InChI=1/C24H43NO9S.2Na/c1-2-3-4-11-14-20(26)15-12-9-7-5-6-8-10-13-16-22(27)25-17-18-34-23(28)19-21(24(29)30)35(31,32)33;;/h9,12,20-21,26H,2-8,10-11,13-19H2,1H3,(H,25,27)(H,29,30)(H,31,32,33);;/q;2*+1/p-2",C24H43NO9S.2Na,,,,,,REIVZOOGBSSPEG-UHFFFAOYSA-L,,,,,,,,,,,
100.061.455,267-621-9,67893-47-4,"4-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]amino]toluene-3-sulphonic acid","5-methyl-2-{[4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzenesulfonic acid",CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)O)c3C(=O)c4ccccc4C(=O)c13,CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H18N2O5S/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25/h3-11,23-24H,1-2H3,(H,27,28,29)",C22H18N2O5S,,,,,,XPKVNPZDTLYFGX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.888,262-597-6,61086-13-3,N-[1-benzyl-4-(methoxymethyl)-4-piperidyl]-N-phenylpropionamide oxalate,N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide oxalate,CCC(=O)N(c1ccccc1)C2(COC)CCN(Cc3ccccc3)CC2.OC(=O)C(=O)O,CCC(=O)N(c1ccccc1)C2(COC)CCN(Cc3ccccc3)CC2.OC(=O)C(=O)O,"InChI=1/C23H30N2O2.C2H2O4/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20;3-1(4)2(5)6/h4-13H,3,14-19H2,1-2H3;(H,3,4)(H,5,6)",C23H30N2O2.C2H2O4,,,,,,AFLKBESYVTWUMU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.893,262-602-1,61094-63-1,"Diethyl 4-hydroxy-5-oxocyclopent-3-ene-1,3-dicarboxylate","diethyl 4-hydroxy-5-oxocyclopent-3-ene-1,3-dicarboxylate",CCOC(=O)C1CC(=C(O)C1=O)C(=O)OCC,CCOC(=O)C1CC(=C(O)C1=O)C(=O)OCC,"InChI=1/C11H14O6/c1-3-16-10(14)6-5-7(9(13)8(6)12)11(15)17-4-2/h6,13H,3-5H2,1-2H3",C11H14O6,,,,,,NJSXXFVJFBCKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.899,262-608-4,61099-53-4,"5-(1,5-dimethyl-4-hexenyl)dihydrofuran-2(3H)-one","5-(1,5-dimethylhex-4-en-1-yl)dihydrofuran-2(3H)-one",CC(CCC=C(C)C)C1CCC(=O)O1,CC(CCC=C(C)C)C1CCC(=O)O1,"InChI=1/C12H20O2/c1-9(2)5-4-6-10(3)11-7-8-12(13)14-11/h5,10-11H,4,6-8H2,1-3H3",C12H20O2,,,,,,BSLAGKJAUWCLKK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.903,262-613-1,61114-24-7,4-allyl-2-methoxyphenyl isovalerate,4-allyl-2-methoxyphenyl 3-methylbutanoate,COc1cc(CC=C)ccc1OC(=O)CC(C)C,COc1cc(CC=C)ccc1OC(=O)CC(C)C,"InChI=1/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3",C15H20O3,,,,,,PLUVLWUSXQCTNH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.916,262-627-8,61147-39-5,Diethyl[2-[2-[2-(4-isobutylphenyl)butyroyloxy]ethoxy]ethyl]ammonium dihydrogen citrate,"N,N-diethyl-2-(2-{[2-(4-isobutylphenyl)butanoyl]oxy}ethoxy)ethanaminium dihydrogen citrate",CCC(C(=O)OCCOCC[NH+](CC)CC)c1ccc(CC(C)C)cc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CCC(C(=O)OCCOCC[NH+](CC)CC)c1ccc(CC(C)C)cc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C22H37NO3.C6H8O7/c1-6-21(20-11-9-19(10-12-20)17-18(4)5)22(24)26-16-15-25-14-13-23(7-2)8-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-12,18,21H,6-8,13-17H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C22H37NO3.xC6H8O7,,,,,,ZWPGGYYOFUXODN-UHFFFAOYSA-L,,,,,,,,,,,
100.056.922,262-634-6,61167-58-6,"2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl acrylate",2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl acrylate,Cc1cc(Cc2cc(C)cc(c2OC(=O)C=C)C(C)(C)C)c(O)c(c1)C(C)(C)C,Cc1cc(Cc2cc(C)cc(c2OC(=O)C=C)C(C)(C)C)c(O)c(c1)C(C)(C)C,"InChI=1/C26H34O3/c1-10-22(27)29-24-19(12-17(3)14-21(24)26(7,8)9)15-18-11-16(2)13-20(23(18)28)25(4,5)6/h10-14,28H,1,15H2,2-9H3",C26H34O3,,,,,,IORUEKDKNHHQAL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.093,260-620-4,57206-99-2,4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonic acid,4-({1-[(2-chlorophenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonic acid,Clc2ccccc2NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S(O)(=O)=O)C(C)=O,Clc2ccccc2NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S(O)(=O)=O)C(C)=O,"InChI=1/C16H13ClN4O7S/c1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25/h2-8,15H,1H3,(H,18,23)(H,26,27,28)",C16H13ClN4O7S,,,,,,SOHDXWQRPBWYOO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.095,260-623-0,57210-34-1,[2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]trimethylammonium chloride,"2-(ethyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium chloride",[Cl-].[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)cc2,[Cl-].[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)cc2,"InChI=1/C19H26N5O2.ClH/c1-5-22(14-15-24(2,3)4)18-10-6-16(7-11-18)20-21-17-8-12-19(13-9-17)23(25)26;/h6-13H,5,14-15H2,1-4H3;1H/q+1;/p-1",C19H26N5O2.Cl,,,,,,CDXPPAZRPFJAIY-UHFFFAOYSA-M,,,,,,,,,,,
100.055.098,260-626-7,57213-94-2,"(1-phenylethyl)[1-(3,4-xylyl)ethyl]benzene","1,2-dimethyl-4-(1-methyl-1,3-diphenylpropyl)benzene",Cc1ccc(cc1C)C(C)(CCc2ccccc2)c3ccccc3,Cc1ccc(cc1C)C(C)(CCc2ccccc2)c3ccccc3,"InChI=1/C24H26/c1-19-14-15-23(18-20(19)2)24(3,22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h4-15,18H,16-17H2,1-3H3",C24H26,,,,,,ZZMDTHIZLUEJET-UHFFFAOYSA-N,,,,,,,,,,,
100.055.106,260-635-6,57231-31-9,"(S)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol","1-(3,4-dihydroxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol",CN1CCc2cc(O)c(O)cc2[C@@H]1Cc3ccc(O)c(O)c3,CN1CCc2cc(O)c(O)cc2[C@@H]1Cc3ccc(O)c(O)c3,"InChI=1/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3",C17H19NO4,,,,,,VHRSWCTVFBWHKE-ZDUSSCGKSA-N,,,,,,,,,,,
100.055.111,260-640-3,57233-12-2,"N,N-diethyl-2-isopropyl-5-methylcyclohexanecarboxamide","N,N-diethyl-2-isopropyl-5-methylcyclohexanecarboxamide",CCN(CC)C(=O)C1CC(C)CCC1C(C)C,CCN(CC)C(=O)C1CC(C)CCC1C(C)C,"InChI=1/C15H29NO/c1-6-16(7-2)15(17)14-10-12(5)8-9-13(14)11(3)4/h11-14H,6-10H2,1-5H3",C15H29NO,,,,,,BSGVGVMGCACGDE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.116,260-646-6,57246-61-4,4-ethyl-5-propylthiazole,"4-ethyl-5-propyl-1,3-thiazole",CCCc1scnc1CC,CCCc1scnc1CC,"InChI=1/C8H13NS/c1-3-5-8-7(4-2)9-6-10-8/h6H,3-5H2,1-2H3",C8H13NS,,,,,,RXMRQNDYNJNUQS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.117,260-647-1,57248-88-1,Disodium dihydrogen (3-amino-1-hydroxypropylidene)bisphosphonate,"disodium dihydrogen (3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonate)",[Na+].[Na+].NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[Na+].[Na+].NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C3H11NO7P2.2Na/c4-2-1-3(5,12(6,7)8)13(9,10)11;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-4",C3H11NO7P2.2Na,,,,,,CEYUIFJWVHOCPP-UHFFFAOYSA-J,,,,,,,,,,,
100.055.118,260-648-7,57248-89-2,a-phenyl-a-[3-(1-pyrrolidinyl)prop-1-ynyl]toluene-a-ol phosphate,"1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol phosphate (salt)",OC(C#CCN1CCCC1)(c2ccccc2)c3ccccc3.OP(=O)(O)O,OC(C#CCN1CCCC1)(c2ccccc2)c3ccccc3.OP(=O)(O)O,"InChI=1/C20H21NO.H3O4P/c22-20(18-10-3-1-4-11-18,19-12-5-2-6-13-19)14-9-17-21-15-7-8-16-21;1-5(2,3)4/h1-6,10-13,22H,7-8,15-17H2;(H3,1,2,3,4)",C20H21NO.xH3O4P,,,,,,KJRDQHIYWCTNTN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.416,236-773-8,13478-14-3,Trilithium arsenate,trilithium arsenate,[Li+].[Li+].[Li+].[O-][As](=O)([O-])[O-],[Li+].[Li+].[Li+].[O-][As](=O)([O-])[O-],"InChI=1/AsH3O4.3Li/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;3*+1/p-3",AsH3O4.3Li,,,,,,VKJKOXNPYVUXNC-UHFFFAOYSA-K,,,,,,,,,,,
100.033.419,236-776-4,13478-20-1,Phosphoryl trifluoride,phosphoric trifluoride,FP(=O)(F)F,FP(=O)(F)F,"InChI=1/F3OP/c1-5(2,3)4",F3OP,,,,,,FFUQCRZBKUBHQT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.421,236-779-0,13478-49-4,Dierbium trisulphate,dierbium trisulphate,[Er+3].[Er+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Er+3].[Er+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Er.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Er.3/2H2O4S,,,,,,SYDXSHCNMKOQFW-UHFFFAOYSA-H,,,,,,,,,,,
100.033.428,236-786-9,13481-87-3,Methyl non-3-enoate,methyl non-3-enoate,COC(=O)CC=CCCCCC,COC(=O)CC=CCCCCC,"InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3",C10H18O2,,,,,,MTDCXFZGUVZRSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.436,236-795-8,13485-59-1,1-L-alanyl-L-proline,L-alanyl-L-proline,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)",C8H14N2O3,,,,,,WPWUFUBLGADILS-WDSKDSINSA-N,,,,,,,,,,,
100.033.437,236-796-3,13486-13-0,"N-ethyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]benzylamine","N-benzyl-N-ethyl-4-(4H-1,2,4-triazol-3-yldiazenyl)aniline",CCN(Cc1ccccc1)c2ccc(cc2)N=Nc3ncnn3,CCN(Cc1ccccc1)c2ccc(cc2)N=Nc3ncnn3,"InChI=1/C17H18N6/c1-2-23(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-22-17-18-13-19-21-17/h3-11,13H,2,12H2,1H3,(H,18,19,21)",C17H18N6,,,,,,CAAQCABQPNOOQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.440,236-800-3,13487-30-4,"2,6,6-trimethylcyclohexa-2,4-dienone","2,6,6-trimethylcyclohexa-2,4-dien-1-one",CC1=CC=CC(C)(C)C1=O,CC1=CC=CC(C)(C)C1=O,"InChI=1/C9H12O/c1-7-5-4-6-9(2,3)8(7)10/h4-6H,1-3H3",C9H12O,,,,,,HRIODPQRCSAJMO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.442,236-802-4,13487-95-1,Dichlorohexylaluminium,dichloro(hexyl)aluminum,CCCCCC[Al](Cl)Cl,CCCCCC[Al](Cl)Cl,"InChI=1/C6H13.Al.2ClH/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;;2*1H/q;+2;;/p-2/rC6H13AlCl2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3",C6H13AlCl2,,,,,,VMLUVDHAXSZZSR-UHFFFAOYSA-L,,,,,,,,,,,
100.055.717,261-309-6,58528-60-2,"2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethanol","2,2'-({4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl}imino)diethanol",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(CCO)CCO)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C17H18Cl2N4O4/c1-11-8-12(22(4-6-24)5-7-25)2-3-16(11)20-21-17-14(18)9-13(23(26)27)10-15(17)19/h2-3,8-10,24-25H,4-7H2,1H3",C17H18Cl2N4O4,,,,,,VJCRGIYTUNCUJU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.724,261-316-4,58537-55-6,"Dihydro-6-imino-1,3-dimethyl-3H-pyrimidine-2,4,5-trione 5-oxime","6-imino-1,3-dimethyldihydropyrimidine-2,4,5(3H)-trione 5-oxime",CN1C(=N)C(=NO)C(=O)N(C)C1=O,CN1C(=N)C(=NO)C(=O)N(C)C1=O,"InChI=1/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7,13H,1-2H3",C6H8N4O3,,,,,,RXJMQEAZFSRRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.727,261-320-6,58537-94-3,"Dimethyl heptane-1,7-diimidate dihydrochloride",dimethyl heptanebis(imidoate) dihydrochloride,Cl.Cl.COC(=N)CCCCCC(=N)OC,Cl.Cl.COC(=N)CCCCCC(=N)OC,"InChI=1/C9H18N2O2.2ClH/c1-12-8(10)6-4-3-5-7-9(11)13-2;;/h10-11H,3-7H2,1-2H3;2*1H",C9H18N2O2.2ClH,,,,,,LRHXBHUTQWIZTN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.728,261-321-1,58547-80-1,"N-[5-[bis(2-hydroxyethyl)amino]-2-[[2,5-dichloro-4-[(diethylamino)sulphonyl]phenyl]azo]phenyl]acetamide","N-(5-[bis(2-hydroxyethyl)amino]-2-{[2,5-dichloro-4-(diethylsulfamoyl)phenyl]diazenyl}phenyl)acetamide",Clc2cc(c(Cl)cc2N=Nc1ccc(cc1NC(C)=O)N(CCO)CCO)S(=O)(=O)N(CC)CC,Clc2cc(c(Cl)cc2N=Nc1ccc(cc1NC(C)=O)N(CCO)CCO)S(=O)(=O)N(CC)CC,"InChI=1/C22H29Cl2N5O5S/c1-4-29(5-2)35(33,34)22-14-17(23)20(13-18(22)24)27-26-19-7-6-16(12-21(19)25-15(3)32)28(8-10-30)9-11-31/h6-7,12-14,30-31H,4-5,8-11H2,1-3H3,(H,25,32)",C22H29Cl2N5O5S,,,,,,KHRQFBKQASROHI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.729,261-322-7,58548-38-2,Methylacenaphthylene,1-methylacenaphthylene,CC1=Cc2cccc3cccc1c23,CC1=Cc2cccc3cccc1c23,"InChI=1/C13H10/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11/h2-8H,1H3",C13H10,,,,,,QALUZRZBRMSBPM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.732,261-325-3,58556-60-8,"3-(3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-ylidene)-3H-indole-7-carboxylic acid hydrochloride","3-(3-oxo-1H,3H-benzo[de]isochromen-1-ylidene)-3H-indole-7-carboxylic acid hydrochloride",Cl.OC(=O)c5cccc4c5/N=C\\C4=C1OC(=O)c3cccc2cccc1c23,Cl.OC(=O)c5cccc4c5/N=C\C4=C1OC(=O)c3cccc2cccc1c23,"InChI=1/C21H11NO4.ClH/c23-20(24)15-9-3-6-12-16(10-22-18(12)15)19-13-7-1-4-11-5-2-8-14(17(11)13)21(25)26-19;/h1-10H,(H,23,24);1H",C21H11NO4.ClH,,,,,,FBJOIIPFBQNGHC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.217,260-759-0,57478-07-6,N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide monoacetate,N-{2-[(2-hydroxyethyl)amino]ethyl}octadecanamide acetate (salt),CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O,"InChI=1/C22H46N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h23,25H,2-21H2,1H3,(H,24,26);1H3,(H,3,4)",C22H46N2O2.C2H4O2,,,,,,FMPKQAWGNSGARV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.218,260-760-6,57479-60-4,2-(2-chlorophenyl)-1-phenylethan-1-one,2-(2-chlorophenyl)-1-phenylethanone,Clc1ccccc1CC(=O)c2ccccc2,Clc1ccccc1CC(=O)c2ccccc2,"InChI=1/C14H11ClO/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11/h1-9H,10H2",C14H11ClO,,,,,,AMQKCOCKRZUDKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.221,260-763-2,57485-08-2,Gold bromide,gold(1+) bromide,[Br-].[Au+],[Br-].[Au+],InChI=1/Au.BrH/h;1H/q+1;/p-1,-,,,,,,PMCMJPXEJUKOAO-UHFFFAOYSA-M,,,,,,,,,,,
100.055.223,260-765-3,57491-33-5,(E)-hexadec-11-enal,hexadec-11-enal,CCCC\\C=C\\CCCCCCCCCC=O,CCCC\C=C\CCCCCCCCCC=O,"InChI=1/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3",C16H30O,,,,,,AMTITFMUKRZZEE-AATRIKPKSA-N,,,,,,,,,,,
100.055.226,260-769-5,57491-68-6,"2,2'-[methylenebis(thio)]dianiline","2,2'-(methylenedisulfanediyl)dianiline",Nc1ccccc1SCSc2ccccc2N,Nc1ccccc1SCSc2ccccc2N,"InChI=1/C13H14N2S2/c14-10-5-1-3-7-12(10)16-9-17-13-8-4-2-6-11(13)15/h1-8H,9,14-15H2",C13H14N2S2,,,,,,NBZBEJOKMAJWOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.227,260-770-0,57495-14-4,Sodium 2-(3-benzoylphenyl)propionate,sodium 2-(3-benzoylphenyl)propanoate,[Na+].CC(C([O-])=O)c1cc(ccc1)C(=O)c2ccccc2,[Na+].CC(C([O-])=O)c1cc(ccc1)C(=O)c2ccccc2,"InChI=1/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1",C16H14O3.Na,,,,,,OAPDLBHLMVYMCW-UHFFFAOYSA-M,,,,,,,,,,,
100.055.228,260-771-6,57497-39-9,N-(tert-butyl)hydroxylamine hydrochloride,N-hydroxy-2-methylpropan-2-amine hydrochloride,Cl.CC(C)(C)NO,Cl.CC(C)(C)NO,"InChI=1/C4H11NO.ClH/c1-4(2,3)5-6;/h5-6H,1-3H3;1H",C4H11NO.ClH,,,,,,DCSATTBHEMKGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.232,260-775-8,57509-50-9,"6,7-dichloro-5-hydroxy-2-methyl-2-phenylindan-1-one","6,7-dichloro-5-hydroxy-2-methyl-2-phenylindan-1-one",CC1(Cc2cc(O)c(Cl)c(Cl)c2C1=O)c3ccccc3,CC1(Cc2cc(O)c(Cl)c(Cl)c2C1=O)c3ccccc3,"InChI=1/C16H12Cl2O2/c1-16(10-5-3-2-4-6-10)8-9-7-11(19)13(17)14(18)12(9)15(16)20/h2-7,19H,8H2,1H3",C16H12Cl2O2,,,,,,FNKRIDAPUUDBPN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.233,260-776-3,57512-44-4,7-tert-butyloxepan-2-one,7-tert-butyloxepan-2-one,CC(C)(C)C1CCCCC(=O)O1,CC(C)(C)C1CCCCC(=O)O1,"InChI=1/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12-8/h8H,4-7H2,1-3H3",C10H18O2,,,,,,GFKHGDDHRNDUDP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.050,240-771-2,16715-80-3,"5'-chloro-2',4'-dimethoxyacetoacetanilide","N-[5-chloro-2,4-bis(methoxyacetyl)phenyl]acetamide",COCC(=O)c1cc(C(=O)COC)c(NC(=O)C)cc1Cl,COCC(=O)c1cc(C(=O)COC)c(NC(=O)C)cc1Cl,"InChI=1/C14H16ClNO5/c1-8(17)16-12-5-11(15)9(13(18)6-20-2)4-10(12)14(19)7-21-3/h4-5H,6-7H2,1-3H3,(H,16,17)",C12H14ClNO4,,,,,,DBFIPZBJGRRAOT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.054,240-775-4,16721-38-3,cis-6-(isopropyl)-3-methylcyclohex-2-en-1-ol,6-isopropyl-3-methylcyclohex-2-en-1-ol,CC(C)[C@H]1CCC(=C[C@H]1O)C,CC(C)[C@H]1CCC(=C[C@H]1O)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3",C10H18O,,,,,,HPOHAUWWDDPHRS-NXEZZACHSA-N,,,,,,,,,,,
100.037.060,240-782-2,16726-03-7,"5-methyl-6-(3-methyl-2-butenyl)cyclohex-4-ene-1,2-dicarboxylic anhydride","6,6'-(oxydicarbonyl)bis[4-methyl-5-(3-methylbut-2-en-1-yl)cyclohex-3-ene-1-carboxylic acid]",CC(=CCC1C(C(CC=C1C)C(=O)O)C(=O)OC(=O)C2C(CC=C(C)C2CC=C(C)C)C(=O)O)C,CC(=CCC1C(C(CC=C1C)C(=O)O)C(=O)OC(=O)C2C(CC=C(C)C2CC=C(C)C)C(=O)O)C,"InChI=1/C28H38O7/c1-15(2)7-11-19-17(5)9-13-21(25(29)30)23(19)27(33)35-28(34)24-20(12-8-16(3)4)18(6)10-14-22(24)26(31)32/h7-10,19-24H,11-14H2,1-6H3,(H,29,30)(H,31,32)",C14H18O3,,,,,,AGZIMYNWLBIRKX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.062,240-784-3,16726-41-3,Isopropylhydrazine monohydrochloride,isopropylhydrazine hydrochloride,Cl.CC(C)NN,Cl.CC(C)NN,"InChI=1/C3H10N2.ClH/c1-3(2)5-4;/h3,5H,4H2,1-2H3;1H",C3H10N2.ClH,,,,,,ILULYDJFTJKQAP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.063,240-785-9,16727-30-3,"3,5-bis(ß-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride","3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-5-yl beta-D-glucopyranoside chloride",[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O,[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O,"InChI=1/C29H34O17.ClH/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28;/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33);1H",C29H35O17.Cl,,,,,,PYQZMBDFAKVXDM-FTIBDFQESA-M,,,,,,,,,,,
100.037.078,240-803-5,16741-80-3,Methyl S-benzyl-L-cysteinate hydrochloride,methyl S-benzyl-L-cysteinate hydrochloride,Cl.COC(=O)[C@@H](N)CSCc1ccccc1,Cl.COC(=O)[C@@H](N)CSCc1ccccc1,"InChI=1/C11H15NO2S.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H",C11H15NO2S.ClH,,,,,,QVJDVOZRQMIIHP-PPHPATTJSA-N,,,,,,,,,,,
100.031.048,234-166-2,10577-96-5,"4,5-dihydro-2-vinyl-1H-imidazole","2-vinyl-4,5-dihydro-1H-imidazole",C=CC1=NCCN1,C=CC1=NCCN1,"InChI=1/C5H8N2/c1-2-5-6-3-4-7-5/h2H,1,3-4H2,(H,6,7)",C5H8N2,,,,,,QDSPSYXUNKKWMN-UHFFFAOYSA-N,,,,,,,,,,,
100.031.050,234-168-3,10578-33-3,Dioleoyl phthalate,dioleoyl phthalate,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(=O)c1ccccc1C(=O)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)c1ccccc1C(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C44H70O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-41(45)49-43(47)39-35-33-34-36-40(39)44(48)50-42(46)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33-36H,3-16,21-32,37-38H2,1-2H3",C44H74O4,,,,,,RQMMKFZTHAGWGU-CLFAGFIQSA-N,,,,,,,,,,,
100.031.051,234-169-9,10578-34-4,Octadecyl benzoate,octadecyl benzoate,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1,"InChI=1/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3",C25H42O2,,,,,,KPWVFNOPNOTYNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.061,234-180-9,10581-14-3,Octyl phenyl hydrogen phosphate,octyl phenyl hydrogen phosphate,CCCCCCCCOP(=O)(O)Oc1ccccc1,CCCCCCCCOP(=O)(O)Oc1ccccc1,"InChI=1/C14H23O4P/c1-2-3-4-5-6-10-13-17-19(15,16)18-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,15,16)",C14H23O4P,,,,,,SDWUQIDETLBAIU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.062,234-181-4,10581-16-5,"2,4-diisocyanato-1-methylcyclohexane","2,4-diisocyanato-1-methylcyclohexane",CC1CCC(CC1N=C=O)N=C=O,CC1CCC(CC1N=C=O)N=C=O,"InChI=1/C9H12N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h7-9H,2-4H2,1H3",C9H12N2O2,,,,,,VZDIRINETBAVAV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.064,234-184-0,10582-48-6,"17-ß-hydroxy-4,5-secooestrane-3,5-dione",3-hydroxy-3a-methyl-6-(3-oxobutyl)dodecahydro-7H-cyclopenta[a]naphthalen-7-one,CC(=O)CC[C@@H]1[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]2CCC1=O,CC(=O)CC[C@@H]1[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]2CCC1=O,"InChI=1/C18H28O3/c1-11(19)3-4-14-12-9-10-18(2)15(6-8-17(18)21)13(12)5-7-16(14)20/h12-15,17,21H,3-10H2,1-2H3",C18H28O3,,,,,,IUVFRVBMKOCTCP-LYBAARLVSA-N,,,,,,,,,,,
100.031.067,234-187-7,10586-07-9,"4,4'-bis[(4,6-diamino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]benzenesulfonic acid}",Nc1nc(N)nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(N)nc(N)n4)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O)n1,Nc1nc(N)nc(Nc2ccc(\C=C\c3ccc(Nc4nc(N)nc(N)n4)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O)n1,"InChI=1/C20H20N12O6S2/c21-15-27-16(22)30-19(29-15)25-11-5-3-9(13(7-11)39(33,34)35)1-2-10-4-6-12(8-14(10)40(36,37)38)26-20-31-17(23)28-18(24)32-20/h1-8H,(H,33,34,35)(H,36,37,38)(H5,21,22,25,27,29,30)(H5,23,24,26,28,31,32)",C20H20N12O6S2,,,,,,PHXYKRIGWBYQSI-OWOJBTEDSA-N,,,,,,,,,,,
100.058.827,264-729-8,64202-75-1,"Propane-1,2-diol, monoformate",2-hydroxypropyl formate,CC(O)COC=O,CC(O)COC=O,"InChI=1/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3",C4H8O3,,,,,,CRMUFGZQBODVGS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.829,264-731-9,64216-15-5,"Calcium 3,5,5-trimethylhexanoate","calcium bis(3,5,5-trimethylhexanoate)",[Ca+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,[Ca+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/2C9H18O2.Ca/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Ca,,,,,,HTIMJOMXENVRPZ-UHFFFAOYSA-L,,,,,,,,,,,
100.058.841,264-745-5,64238-92-2,Benproperine embonate,"4,4'-methylenebis(3-hydroxy-2-naphthoic acid) - 1-[2-(2-benzylphenoxy)-1-methylethyl]piperidine (1:1)",CC(COc1ccccc1Cc2ccccc2)N3CCCCC3.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O,CC(COc1ccccc1Cc2ccccc2)N3CCCCC3.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O,"InChI=1/C23H16O6.C21H27NO/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-7,10-13,18H,3,8-9,14-17H2,1H3",C23H16O6.2C21H27NO,,,,,,CQHJYBVGDAOFNH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.842,264-746-0,64240-64-8,4-[[(1-methylheptyl)oxy]carbonyl]phenyl 4-(hexyloxy)benzoate,4-{[(1-methylheptyl)oxy]carbonyl}phenyl 4-(hexyloxy)benzoate,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)OC(C)CCCCCC,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)OC(C)CCCCCC,"InChI=1/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3",C28H38O5,,,,,,PLGPDUBTEHIWRH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.843,264-747-6,64240-65-9,4-[(2-methylbutoxy)carbonyl]phenyl 4-(hexyloxy)benzoate,4-[(2-methylbutoxy)carbonyl]phenyl 4-(hexyloxy)benzoate,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)OCC(C)CC,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)OCC(C)CC,"InChI=1/C25H32O5/c1-4-6-7-8-17-28-22-13-9-21(10-14-22)25(27)30-23-15-11-20(12-16-23)24(26)29-18-19(3)5-2/h9-16,19H,4-8,17-18H2,1-3H3",C25H32O5,,,,,,PFFXLOXLWSVOSP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.845,264-749-7,64241-78-7,3-methoxypivalic acid,"3-methoxy-2,2-dimethylpropanoic acid",COCC(C)(C)C(=O)O,COCC(C)(C)C(=O)O,"InChI=1/C6H12O3/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H,7,8)",C6H12O3,,,,,,FLFLSQGRBROAPA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.856,264-761-2,64265-45-8,N-(2-hydroxyethyl)-N-[2-[(1-oxooctyl)amino]ethyl]-ß-alanine,N-(2-hydroxyethyl)-N-[2-(octanoylamino)ethyl]-beta-alanine,CCCCCCCC(=O)NCCN(CCO)CCC(=O)O,CCCCCCCC(=O)NCCN(CCO)CCC(=O)O,"InChI=1/C15H30N2O4/c1-2-3-4-5-6-7-14(19)16-9-11-17(12-13-18)10-8-15(20)21/h18H,2-13H2,1H3,(H,16,19)(H,20,21)",C15H30N2O4,,,,,,OKFFNIVTSMRGQI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.857,264-762-8,64265-49-2,N-[2-[bis(2-hydroxyethyl)amino]ethyl]stearamide monohydrochloride,N-{2-[bis(2-hydroxyethyl)amino]ethyl}octadecanamide hydrochloride,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CCO,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CCO,"InChI=1/C24H50N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)25-18-19-26(20-22-27)21-23-28;/h27-28H,2-23H2,1H3,(H,25,29);1H",C24H50N2O3.ClH,,,,,,ANLDAHIIWSEIOK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.862,264-768-0,64285-48-9,"2-[[5,5-dimethyl-3-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]cyclohex-2-en-1-ylidene]methyl]-3-ethylbenzothiazolium","3-[2-({3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-5,5-dimethylcyclohex-1-en-1-yl}methylene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate",CC[n+]4c5ccccc5sc4C=C1\\C=C(/CC(C)(C)C1)C=C3Sc2ccccc2N3CCCS([O-])(=O)=O,CC[n+]4c5ccccc5sc4C=C1\C=C(/CC(C)(C)C1)C=C3Sc2ccccc2N3CCCS([O-])(=O)=O,"InChI=1/C29H32N2O3S3/c1-4-30-23-10-5-7-12-25(23)35-27(30)17-21-16-22(20-29(2,3)19-21)18-28-31(14-9-15-37(32,33)34)24-11-6-8-13-26(24)36-28/h5-8,10-13,16-18H,4,9,14-15,19-20H2,1-3H3",C29H32N2O3S3,,,,,,YRFUOEGOPWKHQT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.863,264-769-6,64285-73-0,"3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diamine dihydrochloride","3,3',5,5'-tetramethylbiphenyl-4,4'-diamine dihydrochloride",Cl.Cl.Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,Cl.Cl.Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,"InChI=1/C16H20N2.2ClH/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h5-8H,17-18H2,1-4H3;2*1H",C16H20N2.2ClH,,,,,,NYNRGZULARUZCC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.460,267-627-1,67903-43-9,(E)-1-chloro-4-(4-chloro-1-methyl-1-butenyl)benzene,1-chloro-4-(4-chloro-1-methylbut-1-en-1-yl)benzene,C\\C(=C/CCCl)\\c1ccc(Cl)cc1,C\C(=C/CCCl)\c1ccc(Cl)cc1,"InChI=1/C11H12Cl2/c1-9(3-2-8-12)10-4-6-11(13)7-5-10/h3-7H,2,8H2,1H3",C11H12Cl2,,,,,,VMURKBLKZQMOFG-YCRREMRBSA-N,,,,,,,,,,,
100.061.467,267-635-5,67905-16-2,"Methyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-[2-(acetoxy)ethyl]ß-alaninate","methyl N-{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}-N-(2-acetoxyethyl)-beta-alaninate",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC(=O)OC)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC(=O)OC)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C23H25BrN6O10/c1-13(31)25-17-11-19(28(6-5-22(33)39-4)7-8-40-14(2)32)21(38-3)12-18(17)26-27-23-16(24)9-15(29(34)35)10-20(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)",C23H25BrN6O10,,,,,,YEPMXIKNGPVWRP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.446,236-807-1,13492-01-8,Tranylcypromine sulphate,2-phenylcyclopropanamine sulfate,N[C@@H]1C[C@H]1c2ccccc2.OS(=O)(=O)O,N[C@@H]1C[C@H]1c2ccccc2.OS(=O)(=O)O,"InChI=1/C9H11N.H2O4S/c10-9-6-8(9)7-4-2-1-3-5-7;1-5(2,3)4/h1-5,8-9H,6,10H2;(H2,1,2,3,4)",C9H11N.1/2H2O4S,,,,,,BTHVHSMCHJCPFU-OULXEKPRSA-N,,,,,,,,,,,
100.033.447,236-808-7,13492-21-2,3-(hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride,3-azepan-1-yl-1-(3-nitrophenyl)propan-1-one hydrochloride,Cl.[O-][N+](=O)c1cccc(c1)C(=O)CCN2CCCCCC2,Cl.[O-][N+](=O)c1cccc(c1)C(=O)CCN2CCCCCC2,"InChI=1/C15H20N2O3.ClH/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20;/h5-7,12H,1-4,8-11H2;1H",C15H20N2O3.ClH,,,,,,GZSMZOZGZVJTLF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.452,236-813-4,13494-80-9,Tellurium,-,[Te],[Te],InChI=1/H2Te/h1H2,Te,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14525,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.452,PORWMNRCUJJQNO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.454,236-816-0,13494-91-2,Digallium trisulphate,digallium trisulphate,[Ga+3].[Ga+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Ga+3].[Ga+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Ga.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Ga.3/2H2O4S,,,,,,UXLRWZBQRAWBQA-UHFFFAOYSA-H,,,,,,,,,,,
100.033.455,236-817-6,13495-09-5,Piminodine,ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(CCCNc2ccccc2)CC1)c3ccccc3,CCOC(=O)C1(CCN(CCCNc2ccccc2)CC1)c3ccccc3,"InChI=1/C23H30N2O2/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21/h3-8,10-13,24H,2,9,14-19H2,1H3",C23H30N2O2,,,,,,PXXKIYPSXYFATG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.460,236-822-3,13498-07-2,Praseodymium(3+) perchlorate,praseodymium triperchlorate,[Pr+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Pr+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Pr/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Pr,,,,,,OPAITELCMCAYEB-UHFFFAOYSA-K,,,,,,,,,,,
100.031.233,234-370-1,11128-24-8,Silicon fluoride,silicon(4+) tetrafluoride,[F-].[F-].[F-].[F-].[Si+4],[F-].[F-].[F-].[F-].[Si+4],InChI=1/4FH.H4Si/h4*1H;1H4/q;;;;+4/p-4,FSi,,,,,,IEPMHPLKKUKRSX-UHFFFAOYSA-J,,,,,,,,,,,
100.031.396,234-549-4,12010-41-2,"Bismuth, compound with dysprosium (1:1)",-,[Dy].[Bi],[Dy].[Bi],InChI=1/Bi.Dy/q2*+3,Bi.Dy,,,,,,BVHFJALZPBQLLT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.398,234-552-0,12010-45-6,"Bismuth, compound with holmium (1:1)",-,[Ho].[Bi],[Ho].[Bi],InChI=1/Bi.Ho/q2*+3,Bi.Ho,,,,,,ZENJQEGOGPMIBF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.399,234-553-6,12010-46-7,"Bismuth, compound with indium (1:1)",-,[In].[Bi],[In].[Bi],InChI=1/Bi.In/q2*+3,Bi.In,,,,,,MPZNMEBSWMRGFG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.404,234-558-3,12010-56-9,"Bismuth, compound with terbium (1:1)",-,[Tb].[Bi],[Tb].[Bi],InChI=1/Bi.Tb/q2*+3,Bi.Tb,,,,,,FZSMGZXZTFPCTO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.123,260-653-4,57262-94-9,"2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine","2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine",CN1CCC2=C(C1)c3ccccc3Cc4ccccc24,CN1CCC2=C(C1)c3ccccc3Cc4ccccc24,"InChI=1/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3",C19H19N,,,,,,GVPIXRLYKVFFMK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.257,266-303-7,66300-34-3,N-[2-(dimethoxymethylsilyl)ethyl]ethylenediamine,"N-{2-[(dimethoxymethyl)silyl]ethyl}ethane-1,2-diamine",COC(OC)[SiH2]CCNCCN,COC(OC)[SiH2]CCNCCN,"InChI=1/C7H20N2O2Si/c1-10-7(11-2)12-6-5-9-4-3-8/h7,9H,3-6,8,12H2,1-2H3",C7H20N2O2Si,,,,,,KLFRNPLTXAPRPB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.274,266-322-0,66340-98-5,Ethyl (Z)-2-formamido-a-(methoxyimino)thiazol-4-acetate,"ethyl (2-formamido-1,3-thiazol-4-yl)(methoxyimino)acetate",CCOC(=O)\\C(=N/OC)\\c1csc(NC=O)n1,CCOC(=O)\C(=N/OC)\c1csc(NC=O)n1,"InChI=1/C9H11N3O4S/c1-3-16-8(14)7(12-15-2)6-4-17-9(11-6)10-5-13/h4-5H,3H2,1-2H3,(H,10,11,13)",C9H11N3O4S,,,,,,CSAITDDAMOOJCF-GHXNOFRVSA-N,,,,,,,,,,,
100.060.276,266-324-1,66345-62-8,"a-tert-butyl-ß-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-1-ethanol","1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol",CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n2cncn2,CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n2cncn2,"InChI=1/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3",C15H19Cl2N3O,,,,,,URDNHJIVMYZFRT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.283,266-332-5,66357-35-5,Ranitidine,"N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine",[O-][N+](=O)C=C(NC)NCCSCc1ccc(CN(C)C)o1,[O-][N+](=O)C=C(NC)NCCSCc1ccc(CN(C)C)o1,"InChI=1/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3",C13H22N4O3S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7543,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.283,VMXUWOKSQNHOCA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.235,260-778-4,57515-95-4,6-(dimethylamino)-3-[4-(dimethylamino)phenyl]phthalide,6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one,CN(C)c1ccc(cc1)C2OC(=O)c3cc(ccc23)N(C)C,CN(C)c1ccc(cc1)C2OC(=O)c3cc(ccc23)N(C)C,"InChI=1/C18H20N2O2/c1-19(2)13-7-5-12(6-8-13)17-15-10-9-14(20(3)4)11-16(15)18(21)22-17/h5-11,17H,1-4H3",C18H20N2O2,,,,,,TYIHCISAZQHKHT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.244,260-788-9,57526-47-3,"3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol","3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol",CC1(C)C2CC(O)C(C)(O)CC12,CC1(C)C2CC(O)C(C)(O)CC12,"InChI=1/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3",C10H18O2,,,,,,AHVKNBRJVKCGKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.247,260-792-0,57526-82-6,(S)-1-[p-(benzyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,1-[4-(benzyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,CC(C)NC[C@H](O)COc1ccc(OCc2ccccc2)cc1,CC(C)NC[C@H](O)COc1ccc(OCc2ccccc2)cc1,"InChI=1/C19H25NO3/c1-15(2)20-12-17(21)14-23-19-10-8-18(9-11-19)22-13-16-6-4-3-5-7-16/h3-11,15,17,20-21H,12-14H2,1-2H3",C19H25NO3,,,,,,YUFPERPQVJMWEN-KRWDZBQOSA-N,,,,,,,,,,,
100.056.877,262-585-0,61085-37-8,1-benzyl-4-[(4-fluorophenyl)amino]piperidine-4-carbonitrile,1-benzyl-4-[(4-fluorophenyl)amino]piperidine-4-carbonitrile,Fc1ccc(NC2(CCN(Cc3ccccc3)CC2)C#N)cc1,Fc1ccc(NC2(CCN(Cc3ccccc3)CC2)C#N)cc1,"InChI=1/C19H20FN3/c20-17-6-8-18(9-7-17)22-19(15-21)10-12-23(13-11-19)14-16-4-2-1-3-5-16/h1-9,22H,10-14H2",C19H20FN3,,,,,,GBJAQCLSQLBKOW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.881,262-589-2,61085-60-7,Methyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate,methyl 4-anilino-1-benzylpiperidine-4-carboxylate,COC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,COC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3",C20H24N2O2,,,,,,NPNNCHCGYDKUTA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.882,262-590-8,61085-72-1,Methyl 1-benzyl-4-[(propionyl)phenylamino]piperidine-4-carboxylate,methyl 1-benzyl-4-[phenyl(propionyl)amino]piperidine-4-carboxylate,CCC(=O)N(c1ccccc1)C2(CCN(Cc3ccccc3)CC2)C(=O)OC,CCC(=O)N(c1ccccc1)C2(CCN(Cc3ccccc3)CC2)C(=O)OC,"InChI=1/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3",C23H28N2O3,,,,,,QKRGHVDSVANHAD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.884,262-592-9,61085-92-5,cis-3-methyl-1-phenethyl-4-(phenylamino)piperidine-4-carboxamide,4-anilino-3-methyl-1-(2-phenylethyl)piperidine-4-carboxamide,C[C@H]1CN(CCc2ccccc2)CC[C@]1(Nc3ccccc3)C(=O)N,C[C@H]1CN(CCc2ccccc2)CC[C@]1(Nc3ccccc3)C(=O)N,"InChI=1/C21H27N3O/c1-17-16-24(14-12-18-8-4-2-5-9-18)15-13-21(17,20(22)25)23-19-10-6-3-7-11-19/h2-11,17,23H,12-16H2,1H3,(H2,22,25)",C21H27N3O,,,,,,GUBFHFABUBMECE-LAUBAEHRSA-N,,,,,,,,,,,
100.056.886,262-595-5,61086-04-2,1-benzyl-4-(phenylamino)piperidine-4-methanol,(4-anilino-1-benzylpiperidin-4-yl)methanol,OCC1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,OCC1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C19H24N2O/c22-16-19(20-18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,20,22H,11-16H2",C19H24N2O,,,,,,WTOYUGZUPNQZHG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.779,264-676-0,64114-42-7,Disodium butyl phosphate,disodium butyl phosphate,[Na+].[Na+].CCCCOP(=O)([O-])[O-],[Na+].[Na+].CCCCOP(=O)([O-])[O-],"InChI=1/C4H11O4P.2Na/c1-2-3-4-8-9(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);;/q;2*+1/p-2",C4H11O4P.2Na,,,,,,VCFILMCOJAQDAY-UHFFFAOYSA-L,,,,,,,,,,,
100.058.782,264-679-7,64118-86-1,Azimexon,1-[1-(2-cyanoaziridin-1-yl)-1-methylethyl]aziridine-2-carboxamide,CC(C)(N1CC1C#N)N2CC2C(=O)N,CC(C)(N1CC1C#N)N2CC2C(=O)N,"InChI=1/C9H14N4O/c1-9(2,12-4-6(12)3-10)13-5-7(13)8(11)14/h6-7H,4-5H2,1-2H3,(H2,11,14)",C9H14N4O,,,,,,RPZOFMHRRHHDPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.783,264-680-2,64123-46-2,1-ethyl-2-(methoxymethyl)-4-nitrobenzene,1-ethyl-2-(methoxymethyl)-4-nitrobenzene,CCc1ccc(cc1COC)[N+](=O)[O-],CCc1ccc(cc1COC)[N+](=O)[O-],"InChI=1/C10H13NO3/c1-3-8-4-5-10(11(12)13)6-9(8)7-14-2/h4-6H,3,7H2,1-2H3",C10H13NO3,,,,,,WSRZKLUAFXDQLG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.786,264-683-9,64129-91-5,Methyl hydrogen 2-dodecenylsuccinate,3-(methoxycarbonyl)pentadec-5-enoate,COC(=O)C(CC=CCCCCCCCCC)CC([O-])=O,COC(=O)C(CC=CCCCCCCCCC)CC([O-])=O,"InChI=1/C17H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(14-16(18)19)17(20)21-2/h11-12,15H,3-10,13-14H2,1-2H3,(H,18,19)/p-1",C17H30O4,,,,,,ODEWOYUSIFGKRS-UHFFFAOYSA-M,,,,,,,,,,,
100.058.789,264-687-0,64131-19-7,"2,2-bis(hydroxymethyl)butyl decanoate","2,2-bis(hydroxymethyl)butyl decanoate",CCCCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C16H32O4/c1-3-5-6-7-8-9-10-11-15(19)20-14-16(4-2,12-17)13-18/h17-18H,3-14H2,1-2H3",C16H32O4,,,,,,WRVVCBZDSPNHLD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.790,264-688-6,64131-20-0,"2,2-bis(hydroxymethyl)butyl laurate","2,2-bis(hydroxymethyl)butyl laurate",CCCCCCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C18H36O4/c1-3-5-6-7-8-9-10-11-12-13-17(21)22-16-18(4-2,14-19)15-20/h19-20H,3-16H2,1-2H3",C18H36O4,,,,,,IULPAYQOTQCFSH-UHFFFAOYSA-N,,,,,,,,,,,
100.031.068,234-188-2,10586-17-1,Isopropyl 2-cyanoacrylate,isopropyl 2-cyanoacrylate,CC(C)OC(=O)C(=C)C#N,CC(C)OC(=O)C(=C)C#N,"InChI=1/C7H9NO2/c1-5(2)10-7(9)6(3)4-8/h5H,3H2,1-2H3",C7H9NO2,,,,,,SQGOMFWCSGKGEP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.069,234-189-8,10586-98-8,"N,N,N',N'-tetramethylpiperazine-1,4-diethylamine","2,2'-piperazine-1,4-diylbis(N,N-dimethylethanamine)",CN(C)CCN1CCN(CCN(C)C)CC1,CN(C)CCN1CCN(CCN(C)C)CC1,"InChI=1/C12H28N4/c1-13(2)5-7-15-9-11-16(12-10-15)8-6-14(3)4/h5-12H2,1-4H3",C12H28N4,,,,,,RUPSPYXFXWDVBV-UHFFFAOYSA-N,,,,,,,,,,,
100.031.071,234-191-9,10588-10-0,Isobutyl valerate,isobutyl valerate,CCCCC(=O)OCC(C)C,CCCCC(=O)OCC(C)C,"InChI=1/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3",C9H18O2,,,,,,ADNADZOSMJDVIS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.074,234-195-0,10589-94-3,"Dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate","dimethyl 3,3'-(3,7,12,17-tetramethylporphine-2,18-diyl)dipropanoate",COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)CCC(=O)OC)C(=C4)C)C(=C3)C,COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5C)CCC(=O)OC)C(=C4)C)C(=C3)C,"InChI=1/C32H32N4O4/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22/h11-16H,7-10H2,1-6H3",C32H34N4O4,,,,,,ZNCAVGHYEDBTBT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.076,234-197-1,10592-03-7,"Methyl (3a,14ß,16a)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate monohydrochloride","methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate hydrochloride",Cl.CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@](O)(C2)C(=O)OC,Cl.CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@](O)(C2)C(=O)OC,"InChI=1/C21H26N2O3.ClH/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2;/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3;1H",C21H26N2O3.ClH,,,,,,YGKAKNJJNTVSKB-YAFGAGFVSA-N,,,,,,,,,,,
100.031.079,234-200-6,10593-29-0,Sodium glucopyranosyl sulphide,-,[Na+].OC[C@H]1OC(SC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,[Na+].OC[C@H]1OC(SC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O10S.Na/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12;/h3-20H,1-2H2;/q;+1",C6H12O5S.Na,,,,,,OSUQORSCFOLEBV-MOKGTXDGSA-N,,,,,,,,,,,
100.031.085,234-206-9,10595-72-9,"Di(tridecyl) 3,3'-thiodipropionate","ditridecyl 3,3'-sulfanediyldipropanoate",CCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCC,"InChI=1/C32H62O4S/c1-3-5-7-9-11-13-15-17-19-21-23-27-35-31(33)25-29-37-30-26-32(34)36-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",C32H62O4S,,,,,,MZHULIWXRDLGRR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.087,234-209-5,10595-82-1,Didecyl succinate,didecyl succinate,CCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCC,"InChI=1/C24H46O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C24H46O4,,,,,,AEVBUGHMKXBGBL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.088,234-210-0,10595-83-2,Ditridecyl succinate,ditridecyl succinate,CCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCC,"InChI=1/C30H58O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C30H58O4,,,,,,UTLUBBFIVPRZFF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.090,234-212-1,10596-23-3,Clodronic acid,(dichloromethylene)bis(phosphonic acid),OP(=O)(O)C(Cl)(Cl)P(=O)(O)O,OP(=O)(O)C(Cl)(Cl)P(=O)(O)O,"InChI=1/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)",CH4Cl2O6P2,,,,,,ACSIXWWBWUQEHA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.091,234-213-7,10597-46-3,"3,6-diamino-10-methylacridinium chloride hydrochloride","3,6-diamino-10-methylacridinium chloride hydrochloride",Cl.[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,Cl.[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,"InChI=1/C14H13N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;;/h2-8H,1H3,(H3,15,16);2*1H",C14H14N3.xClH.Cl,,,,,,OEGQPXPIKZELFM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.093,234-215-8,10599-69-6,1-(5-methyl-2-furyl)propan-1-one,1-(5-methyl-2-furyl)propan-1-one,CCC(=O)c1oc(C)cc1,CCC(=O)c1oc(C)cc1,"InChI=1/C8H10O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3",C8H10O2,,,,,,BXLPZYAVKVFXEO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.501,236-867-9,13523-86-9,Pindolol,1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1cccc2[nH]ccc12,CC(C)NCC(O)COc1cccc2[nH]ccc12,"InChI=1/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3",C14H20N2O2,,,,,,JZQKKSLKJUAGIC-UHFFFAOYSA-N,Positive,UF409801|UF409802|UF409803|UF409804,[M+H]+,HCD55|HCD80|CID35|CID55,116.107:172.0758:146.0601|134.0601:144.0808:74.06|116.107:172.0759:249.1599|116.107:172.0758:146.06,UFZ,,,,,
100.033.502,236-868-4,13524-04-4,2-chloro-a-methylbenzyl alcohol,1-(2-chlorophenyl)ethanol,CC(O)c1ccccc1Cl,CC(O)c1ccccc1Cl,"InChI=1/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3",C8H9ClO,,,,,,DDUBOVLGCYUYFX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.503,236-870-5,13528-88-6,"1,1,2-trichloro-1,2,2-trimethyldisilane","1,1,2-trichloro-1,2,2-trimethyldisilane",C[Si](C)(Cl)[Si](C)(Cl)Cl,C[Si](C)(Cl)[Si](C)(Cl)Cl,"InChI=1/C3H9Cl3Si2/c1-7(2,4)8(3,5)6/h1-3H3",C3H9Cl3Si2,,,,,,KTPJDYNQZVAFBU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.504,236-871-0,13528-93-3,Ethylenebis[chlorodimethylsilane],"ethane-1,2-diylbis[chloro(dimethyl)silane]",C[Si](C)(Cl)CC[Si](C)(C)Cl,C[Si](C)(Cl)CC[Si](C)(C)Cl,"InChI=1/C6H16Cl2Si2/c1-9(2,7)5-6-10(3,4)8/h5-6H2,1-4H3",C6H16Cl2Si2,,,,,,VGQOKOYKFDUPPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.476,267-644-4,67905-26-4,Aluminium triacontan-1-olate,aluminum tritriacontan-1-olate,[Al+3].CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[O-],"InChI=1/3C30H61O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31;/h3*2-30H2,1H3;/q3*-1;+3",C30H62O.1/3Al,,,,,,FHGOJCXFPBMHRY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.478,267-647-0,67905-28-6,Aluminium trihexacosanolate,aluminum trihexacosan-1-olate,[Al+3].CCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC[O-],"InChI=1/3C26H53O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27;/h3*2-26H2,1H3;/q3*-1;+3",C26H54O.1/3Al,,,,,,AGINRTNXYIUVJD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.479,267-648-6,67905-29-7,Aluminium tetracosanolate,aluminum tritetracosan-1-olate,[Al+3].CCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCCCC[O-],"InChI=1/3C24H49O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;/h3*2-24H2,1H3;/q3*-1;+3",C24H50O.1/3Al,,,,,,RHNBBIGKLDVFGK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.480,267-649-1,67905-30-0,Aluminium tridocosanolate,aluminum tridocosan-1-olate,[Al+3].CCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCCCC[O-],"InChI=1/3C22H45O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23;/h3*2-22H2,1H3;/q3*-1;+3",C22H46O.1/3Al,,,,,,ONYTVGOUGQELKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.481,267-650-7,67905-31-1,Aluminium tri(icosanolate),aluminum triicosan-1-olate,[Al+3].CCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCCCCCC[O-],"InChI=1/3C20H41O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;/h3*2-20H2,1H3;/q3*-1;+3",C20H42O.1/3Al,,,,,,ILQJMJYHYAFKRS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.489,267-659-6,67905-39-9,Tris(triacontyl)aluminium,tris(triacontyl)aluminum,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/3C30H61.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-30H2,2H3;/rC90H183Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-79-82-85-88-91(89-86-83-80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)90-87-84-81-78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-90H2,1-3H3",C90H183Al,,,,,,OTCQQXOJHPHEEX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.490,267-660-1,67905-40-2,"Methyl 3-methyl-3-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]oxirane-2-carboxylate","methyl 2,3-anhydro-4,5-dideoxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enonate",COC(=O)C1OC1(C)\\C=C\\C2C(=CCCC2(C)C)C,COC(=O)C1OC1(C)\C=C\C2C(=CCCC2(C)C)C,"InChI=1/C16H24O3/c1-11-7-6-9-15(2,3)12(11)8-10-16(4)13(19-16)14(17)18-5/h7-8,10,12-13H,6,9H2,1-5H3",C16H24O3,,,,,,WOCOGWMEEYJGLH-CSKARUKUSA-N,,,,,,,,,,,
100.055.502,261-071-3,58012-16-1,"1-(4-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one","1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one",Fc1ccc(cc1)N2CNC(=O)C23CCNCC3,Fc1ccc(cc1)N2CNC(=O)C23CCNCC3,"InChI=1/C13H16FN3O/c14-10-1-3-11(4-2-10)17-9-16-12(18)13(17)5-7-15-8-6-13/h1-4,15H,5-9H2,(H,16,18)",C13H16FN3O,,,,,,BEEPXSBZGLKIOT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.440,263-204-0,61791-79-5,"(2-hydroxy-1-methyl-2,3-diphenylpropyl)ammonium (1S)-2-oxobornane-10-sulphonate","3-hydroxy-3,4-diphenylbutan-2-aminium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",CC([NH3+])C(O)(Cc1ccccc1)c2ccccc2.CC3(C)C4CC[C@@]3(CS(=O)(=O)[O-])C(=O)C4,CC([NH3+])C(O)(Cc1ccccc1)c2ccccc2.CC3(C)C4CC[C@@]3(CS(=O)(=O)[O-])C(=O)C4,"InChI=1/C16H19NO.C10H16O4S/c1-13(17)16(18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-11,13,18H,12,17H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)",C19H25NO.C10H16O4S,,,,,,VONVNOMDXZAJFC-FHIDHQGESA-N,,,,,,,,,,,
100.057.443,263-207-7,61791-91-1,Sodium 1-methyl 10-sulphooctadecanoate,-,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OC)S(=O)(=O)O,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OC)S(=O)(=O)O,"InChI=1/C19H38O5S.Na/c1-3-4-5-6-9-12-15-18(25(21,22)23)16-13-10-7-8-11-14-17-19(20)24-2;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1",C19H38O5S.Na,,,,,,QCQYSGXYMTXIGH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.446,263-210-3,61791-98-8,"N-tetradecyl-ß-alanine, compound with 2,2',2''-nitrilotriethanol (1:1)","N-tetradecyl-beta-alanine - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCNCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCNCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C17H35NO2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;8-4-1-7(2-5-9)3-6-10/h18H,2-16H2,1H3,(H,19,20);8-10H,1-6H2",C17H35NO2.C6H15NO3,,,,,,GTPLIWYJOBRMTM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.449,263-214-5,61792-11-8,"3,7-dimethylnona-2,6-dienenitrile","3,7-dimethylnona-2,6-dienenitrile",CC(CC)=CCCC(C)=CC#N,CC(CC)=CCCC(C)=CC#N,"InChI=1/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3",C11H17N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11681,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.449,DHJVLXVXNFUSMU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.285,266-334-6,66371-08-2,"2-(6-methoxybenzoxazol-2-yl)-1,3-dimethyl-1H-benzimidazolium methyl sulphate","2-(6-methoxy-1,3-benzoxazol-2-yl)-1,3-dimethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium methyl sulfate",COc1ccc2nc(oc2c1)C3N(C)c4ccccc4[NH+]3C.COS(=O)(=O)[O-],COc1ccc2nc(oc2c1)C3N(C)c4ccccc4[NH+]3C.COS(=O)(=O)[O-],"InChI=1/C17H17N3O2.CH4O4S/c1-19-13-6-4-5-7-14(13)20(2)17(19)16-18-12-9-8-11(21-3)10-15(12)22-16;1-5-6(2,3)4/h4-10,17H,1-3H3;1H3,(H,2,3,4)",C17H16N3O2.CH3O4S,,,,,,BJSXXSRDYQSJBF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.463,236-826-5,13499-05-3,Hafnium tetrachloride,hafnium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4],[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4],InChI=1/4ClH.Hf/h4*1H;/q;;;;+4/p-4,Cl4Hf,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10261,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.463,PDPJQWYGJJBYLF-UHFFFAOYSA-J,,,,,,,,,,,
100.033.467,236-830-7,13504-15-9,"17,21-dihydroxy-16ß-methylpregna-1,4,9(11)-triene-3,20-dione","17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3",C22H28O4,,,,,,ZYTXTXAMMDTYDQ-AKXKBWEISA-N,,,,,,,,,,,
100.033.471,236-834-9,13508-51-5,2-chloroethyldimethoxymethylsilane,"(3-chloro-1,1-dimethoxypropyl)silane",COC([SiH3])(CCCl)OC,COC([SiH3])(CCCl)OC,"InChI=1/C5H13ClO2Si/c1-7-5(9,8-2)3-4-6/h3-4H2,1-2,9H3",C5H13ClO2Si,,,,,,JYAIGNDWFVZWBX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.479,236-843-8,13510-60-6,2-methoxy-4-(phenylamino)benzenediazonium chloride,4-anilino-2-methoxybenzenediazonium chloride,[Cl-].COc1cc(Nc2ccccc2)ccc1[N+]#N,[Cl-].COc1cc(Nc2ccccc2)ccc1[N+]#N,"InChI=1/C13H12N3O.ClH/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;/h2-9,15H,1H3;1H/q+1;/p-1",C13H12N3O.Cl,,,,,,CYOTVRXTHZXYAN-UHFFFAOYSA-M,,,,,,,,,,,
100.033.480,236-844-3,13510-71-9,Diyttrium trisulphate,diyttrium trisulphate,[Y+3].[Y+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Y+3].[Y+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Y/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",H2O4S.2/3Y,,,,,,RTAYJOCWVUTQHB-UHFFFAOYSA-H,,,,,,,,,,,
100.033.483,236-848-5,13511-38-1,"3-chloro-2,2-dimethylpropaneoic acid","3-chloro-2,2-dimethylpropanoic acid",CC(C)(CCl)C(=O)O,CC(C)(CCl)C(=O)O,"InChI=1/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)",C5H9ClO2,,,,,,YBJGQSNSAWZZHL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.486,236-851-1,13513-93-4,"2'-(p-tosyl)(3,4,5-trimethoxybenzo)hydrazide","3,4,5-trimethoxy-N'-[(4-methylphenyl)sulfonyl]benzohydrazide",COc1cc(cc(OC)c1OC)C(=O)NNS(=O)(=O)c2ccc(C)cc2,COc1cc(cc(OC)c1OC)C(=O)NNS(=O)(=O)c2ccc(C)cc2,"InChI=1/C17H20N2O6S/c1-11-5-7-13(8-6-11)26(21,22)19-18-17(20)12-9-14(23-2)16(25-4)15(10-12)24-3/h5-10,19H,1-4H3,(H,18,20)",C17H20N2O6S,,,,,,ACDYWAIEHULRGT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.489,236-854-8,13515-97-4,Methyl DL-alaninate hydrochloride,methyl L-alaninate hydrochloride,Cl.COC(=O)[C@H](C)N,Cl.COC(=O)[C@H](C)N,"InChI=1/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H",C4H9NO2.ClH,,,,,,IYUKFAFDFHZKPI-DFWYDOINSA-N,,,,,,,,,,,
100.035.010,238-528-0,14518-69-5,Tetrabutylphosphonium hydroxide,tetrabutylphosphonium hydroxide,[OH-].CCCC[P+](CCCC)(CCCC)CCCC,[OH-].CCCC[P+](CCCC)(CCCC)CCCC,"InChI=1/C16H36P.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1",C16H36P.HO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18768,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.010,DFQPZDGUFQJANM-UHFFFAOYSA-M,,,,,,,,,,,
100.033.081,236-405-6,13355-00-5,Melarsonyl potassium,"dipotassium 2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}-1,3,2-dithiarsolane-4,5-dicarboxylate",[K+].[K+].Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC(C(S3)C(=O)[O-])C(=O)[O-])n1,[K+].[K+].Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC(C(S3)C(=O)[O-])C(=O)[O-])n1,"InChI=1/C13H13AsN6O4S2.2K/c15-11-18-12(16)20-13(19-11)17-6-3-1-5(2-4-6)14-25-7(9(21)22)8(26-14)10(23)24;;/h1-4,7-8H,(H,21,22)(H,23,24)(H5,15,16,17,18,19,20);;/q;2*+1/p-2",C13H13AsN6O4S2.2K,,,,,,PHCMFHVCRUCADN-UHFFFAOYSA-L,,,,,,,,,,,
100.033.082,236-406-1,13355-96-9,Butylchlorodihydroxystannane,butyl(chloro)stannanediol,CCCC[Sn](O)(O)Cl,CCCC[Sn](O)(O)Cl,"InChI=1/C4H9.ClH.2H2O.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;1H;2*1H2;/q;;;;+3/p-3/rC4H11ClO2Sn/c1-2-3-4-8(5,6)7/h6-7H,2-4H2,1H3",C4H11ClO2Sn,,,,,,FQYHHEJETOLDHR-UHFFFAOYSA-K,,,,,,,,,,,
100.033.085,236-409-8,13358-62-8,"Disodium 2,2'-[(4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy)]bisacetate","disodium 2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-diyl)bis(oxy)]diacetate",[Na+].[Na+].[O-]C(=O)COc1cc(OCC(=O)[O-])c2C(=O)C=C(Oc2c1)c3ccccc3,[Na+].[Na+].[O-]C(=O)COc1cc(OCC(=O)[O-])c2C(=O)C=C(Oc2c1)c3ccccc3,"InChI=1/C19H14O8.2Na/c20-13-8-14(11-4-2-1-3-5-11)27-16-7-12(25-9-17(21)22)6-15(19(13)16)26-10-18(23)24;;/h1-8H,9-10H2,(H,21,22)(H,23,24);;/q;2*+1/p-2",C19H14O8.2Na,,,,,,NZWVXAWPZJOYKP-UHFFFAOYSA-L,,,,,,,,,,,
100.033.086,236-410-3,13358-73-1,Dibutylcarbamoyl chloride,dibutylcarbamic chloride,CCCCN(CCCC)C(=O)Cl,CCCCN(CCCC)C(=O)Cl,"InChI=1/C9H18ClNO/c1-3-5-7-11(9(10)12)8-6-4-2/h3-8H2,1-2H3",C9H18ClNO,,,,,,OSWBZCCZJXCOGL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.090,236-415-0,13360-63-9,Butyl(ethyl)amine,N-ethylbutan-1-amine,CCCCNCC,CCCCNCC,"InChI=1/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3",C6H15N,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7920,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.090,QHCCDDQKNUYGNC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.793,264-691-2,64131-24-4,"2,2-bis(hydroxymethyl)butyl (9Z,12Z)-octadeca-9,12-dienoate","2,2-bis(hydroxymethyl)butyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C24H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-24(4-2,20-25)21-26/h8-9,11-12,25-26H,3-7,10,13-22H2,1-2H3",C24H44O4,,,,,,QYKUGKXUCSXQBX-MURFETPASA-N,,,,,,,,,,,
100.058.795,264-693-3,64131-26-6,Methyl 2-sulphodecanoate,1-methoxy-1-oxodecane-2-sulfonic acid,CCCCCCCCC(C(=O)OC)S(=O)(=O)O,CCCCCCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C11H22O5S/c1-3-4-5-6-7-8-9-10(11(12)16-2)17(13,14)15/h10H,3-9H2,1-2H3,(H,13,14,15)",C11H22O5S,,,,,,QURGWARQWBLYFU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.797,264-695-4,64131-32-4,1-methyl 2-sulphooleate,1-methoxy-1-oxooctadec-9-ene-2-sulfonic acid,CCCCCCCC\\C=C/CCCCCCC(C(=O)OC)S(=O)(=O)O,CCCCCCCC\C=C/CCCCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C19H36O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(20)24-2)25(21,22)23/h10-11,18H,3-9,12-17H2,1-2H3,(H,21,22,23)",C19H36O5S,,,,,,KFCIJTJJZAJPSW-KHPPLWFESA-N,,,,,,,,,,,
100.058.801,264-701-5,64137-48-0,"4-[4-[[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazole-4-ylidene]methyl]-5-hydroxy-3-methyl-1H-pyrazole-1-yl]benzoic acid","4-(4-{[1-(4-carboxyphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid",OC(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\\C)=N/N(c2ccc(cc2)C(O)=O)C3=O)c4O,OC(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\C)=N/N(c2ccc(cc2)C(O)=O)C3=O)c4O,"InChI=1/C23H18N4O6/c1-12-18(20(28)26(24-12)16-7-3-14(4-8-16)22(30)31)11-19-13(2)25-27(21(19)29)17-9-5-15(6-10-17)23(32)33/h3-11,28H,1-2H3,(H,30,31)(H,32,33)",C23H18N4O6,,,,,,WSODZNOMMOAGJD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.816,264-717-2,64168-11-2,"4,4'-(propane-1,3-diyl)bis(1-methylpiperidine)","4,4'-propane-1,3-diylbis(1-methylpiperidine)",CN1CCC(CCCC2CCN(C)CC2)CC1,CN1CCC(CCCC2CCN(C)CC2)CC1,"InChI=1/C15H30N2/c1-16-10-6-14(7-11-16)4-3-5-15-8-12-17(2)13-9-15/h14-15H,3-13H2,1-2H3",C15H30N2,,,,,,JWOTWWORMYMZCR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.819,264-720-9,64181-63-1,N-(isopropyl)-1-[[4-(phenylazo)phenyl]azo]naphthalen-2-amine,N-isopropyl-1-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalen-2-amine,CC(C)Nc4ccc1ccccc1c4N=Nc3ccc(N=Nc2ccccc2)cc3,CC(C)Nc4ccc1ccccc1c4N=Nc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C25H23N5/c1-18(2)26-24-17-12-19-8-6-7-11-23(19)25(24)30-29-22-15-13-21(14-16-22)28-27-20-9-4-3-5-10-20/h3-18,26H,1-2H3",C25H23N5,,,,,,DTDOOPQNZJCJKT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.820,264-721-4,64181-81-3,"Trisodium 7-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Nc4cccc(c4)S([O-])(=O)=O)n5,[Na+].[Na+].[Na+].Clc5nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Nc4cccc(c4)S([O-])(=O)=O)n5,"InChI=1/C26H20ClN7O11S3.3Na/c1-45-16-6-8-19(20(12-16)47(39,40)41)33-34-22-21(48(42,43)44)10-13-9-15(5-7-18(13)23(22)35)29-26-31-24(27)30-25(32-26)28-14-3-2-4-17(11-14)46(36,37)38;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;/q;3*+1/p-3",C26H20ClN7O11S3.3Na,,,,,,PPODANAVFFOJFF-UHFFFAOYSA-K,,,,,,,,,,,
100.058.821,264-723-5,64182-61-2,1-chloro-3-fluoro-2-nitrobenzene,1-chloro-3-fluoro-2-nitrobenzene,[O-][N+](=O)c1c(F)cccc1Cl,[O-][N+](=O)c1c(F)cccc1Cl,InChI=1/C6H3ClFNO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,C6H3ClFNO2,,,,,,GOIUPLBHNRTTIO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.427,267-590-1,67892-56-2,Dichlorodocosylmethylsilane,dichloro(docosyl)methylsilane,CCCCCCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl,CCCCCCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl,"InChI=1/C23H48Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(2,24)25/h3-23H2,1-2H3",C23H48Cl2Si,,,,,,XJNNFXAJDSSMBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.430,267-593-8,67892-60-8,Diethoxydivinylsilane,diethoxy(divinyl)silane,CCO[Si](OCC)(C=C)C=C,CCO[Si](OCC)(C=C)C=C,"InChI=1/C8H16O2Si/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6H2,1-2H3",C8H16O2Si,,,,,,CSXPRVTYIFRYPR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.431,267-594-3,67892-64-2,2-methyl-6-vinylbicyclo[2.2.1]hept-2-ene,2-methyl-6-vinylbicyclo[2.2.1]hept-2-ene,CC1=CC2CC(C=C)C1C2,CC1=CC2CC(C=C)C1C2,"InChI=1/C10H14/c1-3-9-5-8-4-7(2)10(9)6-8/h3-4,8-10H,1,5-6H2,2H3",C10H14,,,,,,DXXZSRMJEPCEFS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.435,267-599-0,67892-97-1,3-hydroxy-4-[[2-hydroxy-8-[(methylsulphonyl)amino]-1-naphthyl]azo]benzenesulphonamide,3-hydroxy-4-({2-hydroxy-8-[(methylsulfonyl)amino]-1-naphthyl}diazenyl)benzenesulfonamide,Oc3cc(ccc3N=Nc1c2c(NS(C)(=O)=O)cccc2ccc1O)S(N)(=O)=O,Oc3cc(ccc3N=Nc1c2c(NS(C)(=O)=O)cccc2ccc1O)S(N)(=O)=O,"InChI=1/C17H16N4O6S2/c1-28(24,25)21-13-4-2-3-10-5-8-14(22)17(16(10)13)20-19-12-7-6-11(9-15(12)23)29(18,26)27/h2-9,21-23H,1H3,(H2,18,26,27)",C17H16N4O6S2,,,,,,XRGSXTJQRFQENP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.506,236-873-1,13529-51-6,"2,2'-hydrazonobisethanol","2,2'-hydrazine-1,1-diyldiethanol",NN(CCO)CCO,NN(CCO)CCO,"InChI=1/C4H12N2O2/c5-6(1-3-7)2-4-8/h7-8H,1-5H2",C4H12N2O2,,,,,,MVPRCWFLPDNGNR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.516,236-884-1,13532-37-1,4-hydroxyvaleric acid,4-hydroxypentanoic acid,CC(O)CCC(=O)O,CC(O)CCC(=O)O,"InChI=1/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",C5H10O3,,,,,,FMHKPLXYWVCLME-UHFFFAOYSA-N,,,,,,,,,,,
100.033.518,236-886-2,13532-96-2,4-(ethyl(2-hydroxyethyl)amino)benzenediazonium zinc chloride,-,[Cl-].[Zn+2].CCN(CCO)c1ccc(cc1)[N+]#N,[Cl-].[Zn+2].CCN(CCO)c1ccc(cc1)[N+]#N,"InChI=1/C10H14N3O.ClH.Zn/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;/h3-6,14H,2,7-8H2,1H3;1H;/q+1;;+2/p-1",C10H14N3O.xCl2Zn.Cl,,,,,,YCCMROKJAZCBJX-UHFFFAOYSA-M,,,,,,,,,,,
100.033.526,236-895-1,13536-73-7,Erbium tribromide,erbium tribromide,[Br-].[Br-].[Br-].[Er+3],[Br-].[Br-].[Br-].[Er+3],InChI=1/3BrH.Er/h3*1H;/q;;;+3/p-3,Br3Er,,,,,,GZTUDAKVGXUNIM-UHFFFAOYSA-K,,,,,,,,,,,
100.033.527,236-896-7,13536-79-3,Lanthanum tribromide,lanthanum tribromide,[Br-].[Br-].[Br-].[La+3],[Br-].[Br-].[Br-].[La+3],InChI=1/3BrH.La/h3*1H;/q;;;+3/p-3,Br3La,,,,,,XKUYOJZZLGFZTC-UHFFFAOYSA-K,,,,,,,,,,,
100.033.529,236-898-8,13536-84-0,Difluorodioxouranium,difluoro(dioxo)uranium,F[U](=O)(=O)F,F[U](=O)(=O)F,"InChI=1/2FH.2O.U/h2*1H;;;/q;;;;+2/p-2/rF2O2U/c1-5(2,3)4",F2O2U,,,,,,KCKICANVXIVOLK-UHFFFAOYSA-L,,,,,,,,,,,
100.033.535,236-904-9,13537-18-3,Thulium trichloride,thulium trichloride,[Cl-].[Cl-].[Cl-].[Tm+3],[Cl-].[Cl-].[Cl-].[Tm+3],InChI=1/3ClH.Tm/h3*1H;/q;;;+3/p-3,Cl3Tm,,,,,,ILOTUXNTERMOJL-UHFFFAOYSA-K,,,,,,,,,,,
100.033.541,236-911-7,13539-12-3,"2,5-bis(dodecyldithio)-1,3,4-thiadiazole","2,5-bis(dodecyldisulfanyl)-1,3,4-thiadiazole",CCCCCCCCCCCCSSc1nnc(SSCCCCCCCCCCCC)s1,CCCCCCCCCCCCSSc1nnc(SSCCCCCCCCCCCC)s1,"InChI=1/C26H50N2S5/c1-3-5-7-9-11-13-15-17-19-21-23-29-32-25-27-28-26(31-25)33-30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C26H50N2S5,,,,,,ZBADMMCYTSORHN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.543,236-913-8,13539-59-8,Azapropazone,"5-(dimethylamino)-9-methyl-2-propyl-1H-pyrazolo[1,2-a][1,2,4]benzotriazine-1,3(2H)-dione",CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C,CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C,"InChI=1/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3",C16H20N4O2,,,,,,MPHPHYZQRGLTBO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.066,245-189-2,22739-76-0,"(O,1,1,1,2,3,3,3-2H8)propan-2-ol",propan-2-ol,CC(C)O,CC(C)O,"InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3",C3D8O,,,,,,KFZMGEQAYNKOFK-UHFFFAOYSA-N,,,,,,,,,,,
100.041.076,245-200-0,22753-81-7,"N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide","N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide",FC(F)(F)CN(C(=O)CBr)c1ccc(Cl)cc1C(=O)c2ccccc2,FC(F)(F)CN(C(=O)CBr)c1ccc(Cl)cc1C(=O)c2ccccc2,"InChI=1/C17H12BrClF3NO2/c18-9-15(24)23(10-17(20,21)22)14-7-6-12(19)8-13(14)16(25)11-4-2-1-3-5-11/h1-8H,9-10H2",C17H12BrClF3NO2,,,,,,YOHLFPANLAUXOX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.080,245-204-2,22766-82-1,2-octyldodecyl stearate,2-octyldodecyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,"InChI=1/C38H76O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-26-29-32-35-38(39)40-36-37(33-30-27-15-12-9-6-3)34-31-28-25-17-14-11-8-5-2/h37H,4-36H2,1-3H3",C38H76O2,,,,,,HXVCOQUDJKMJQY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.082,245-206-3,22766-84-3,2-octyldodecyl palmitate,2-octyldodecyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,"InChI=1/C36H72O2/c1-4-7-10-13-16-18-19-20-21-22-24-27-30-33-36(37)38-34-35(31-28-25-15-12-9-6-3)32-29-26-23-17-14-11-8-5-2/h35H,4-34H2,1-3H3",C36H72O2,,,,,,RUDXBXPTJPNTSO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.084,245-208-4,22767-49-3,Sodium pentane-1-sulphonate monohydrate,sodium pentane-1-sulfonate hydrate,O.[Na+].CCCCCS(=O)(=O)[O-],O.[Na+].CCCCCS(=O)(=O)[O-],"InChI=1/C5H12O3S.Na.H2O/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H,6,7,8);;1H2/q;+1;/p-1",C5H12O3S.Na,,,,,,FPQYXAFKHLSWTI-UHFFFAOYSA-M,,,,,,,,,,,
100.041.085,245-210-5,22767-50-6,Sodium heptane-1-sulphonate,sodium heptane-1-sulfonate,[Na+].CCCCCCCS(=O)(=O)[O-],[Na+].CCCCCCCS(=O)(=O)[O-],"InChI=1/C7H16O3S.Na/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);/q;+1/p-1",C7H16O3S.Na,,,,,,REFMEZARFCPESH-UHFFFAOYSA-M,,,,,,,,,,,
100.041.089,245-214-7,22775-40-2,Ethyl 5-methoxysalicylate,ethyl 2-hydroxy-5-methoxybenzoate,CCOC(=O)c1cc(OC)ccc1O,CCOC(=O)c1cc(OC)ccc1O,"InChI=1/C10H12O4/c1-3-14-10(12)8-6-7(13-2)4-5-9(8)11/h4-6,11H,3H2,1-2H3",C10H12O4,,,,,,QFDVMOCQOGCDKA-UHFFFAOYSA-N,,,,,,,,,,,
100.041.094,245-219-4,22789-96-4,[1-methyl-2-[(2-methyl-1-oxoallyl)oxy]ethyl] hydrogen maleate,4-[2-(methacryloyloxy)-1-methylethoxy]-4-oxobut-2-enoic acid,CC(COC(=O)C(=C)C)OC(=O)\\C=C/C(=O)O,CC(COC(=O)C(=C)C)OC(=O)\C=C/C(=O)O,"InChI=1/C11H14O6/c1-7(2)11(15)16-6-8(3)17-10(14)5-4-9(12)13/h4-5,8H,1,6H2,2-3H3,(H,12,13)",C11H14O6,,,,,,AJTKERXLPGIENO-PLNGDYQASA-N,,,,,,,,,,,
100.057.454,263-219-2,61792-35-6,(2-hydroxyethyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium methyl sulphate,"N-(2-hydroxyethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.COS(=O)(=O)[O-],"InChI=1/C25H52N2O2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;1-5-6(2,3)4/h28H,4-24H2,1-3H3;1H3,(H,2,3,4)",C25H53N2O2.CH3O4S,,,,,,JOQAQKBSXCRNFW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.936,262-649-8,61197-07-7,3-(ethyldithio)-2-methylfuran,3-(ethyldisulfanyl)-2-methylfuran,CCSSc1ccoc1C,CCSSc1ccoc1C,"InChI=1/C7H10OS2/c1-3-9-10-7-4-5-8-6(7)2/h4-5H,3H2,1-2H3",C7H10OS2,,,,,,ZPINLCXQMSVOQT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.939,262-652-4,61203-46-1,"3-bromo-4,5-dihydroxybenzoic acid","3-bromo-4,5-dihydroxybenzoic acid",OC(=O)c1cc(O)c(O)c(Br)c1,OC(=O)c1cc(O)c(O)c(Br)c1,"InChI=1/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)",C7H5BrO4,,,,,,XCTQCHNCFZFEGN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.940,262-654-5,61203-99-4,trans-4-(4-propylcyclohexyl)benzonitrile,4-(4-propylcyclohexyl)benzonitrile,CCCC1CCC(CC1)c2ccc(cc2)C#N,CCCC1CCC(CC1)c2ccc(cc2)C#N,"InChI=1/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3",C16H21N,,,,,,XXUSEPRYHRDKFV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.942,262-656-6,61204-01-1,trans-4-(4-pentylcyclohexyl)benzonitrile,4-(4-pentylcyclohexyl)benzonitrile,CCCCCC1CCC(CC1)c2ccc(cc2)C#N,CCCCCC1CCC(CC1)c2ccc(cc2)C#N,"InChI=1/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3",C18H25N,,,,,,FURZYCFZFBYJBT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.943,262-657-1,61204-02-2,trans-4-(4-hexylcyclohexyl)benzonitrile,4-(4-hexylcyclohexyl)benzonitrile,CCCCCCC1CCC(CC1)c2ccc(cc2)C#N,CCCCCCC1CCC(CC1)c2ccc(cc2)C#N,"InChI=1/C19H27N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h9-10,13-14,16,18H,2-8,11-12H2,1H3",C19H27N,,,,,,YEPXKTSYILRSQX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.947,262-661-3,61213-25-0,3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one,3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one,FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O,FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O,"InChI=1/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2",C12H10Cl2F3NO,,,,,,OQZCSNDVOWYALR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.960,262-676-5,61260-05-7,(S)-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenol hydrochloride,4-[2-hydroxy-3-(isopropylamino)propoxy]phenol hydrochloride,Cl.CC(C)NC[C@H](O)COc1ccc(O)cc1,Cl.CC(C)NC[C@H](O)COc1ccc(O)cc1,"InChI=1/C12H19NO3.ClH/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12;/h3-6,9,11,13-15H,7-8H2,1-2H3;1H",C12H19NO3.ClH,,,,,,WDXYIFGETVGLBZ-MERQFXBCSA-N,,,,,,,,,,,
100.056.967,262-683-3,61273-95-8,"1-benzyl-1,2,5,6-tetrahydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridinium hydrogen oxalate","1-benzyl-6-(4-methoxybenzyl)-4,5-dimethyl-1,2,3,6-tetrahydropyridinium hydrogen oxalate",COc1ccc(CC2[NH+](Cc3ccccc3)CCC(=C2C)C)cc1.[O-]C(=O)C(=O)[O-],COc1ccc(CC2[NH+](Cc3ccccc3)CCC(=C2C)C)cc1.[O-]C(=O)C(=O)[O-],"InChI=1/C22H27NO.C2H2O4/c1-17-13-14-23(16-20-7-5-4-6-8-20)22(18(17)2)15-19-9-11-21(24-3)12-10-19;3-1(4)2(5)6/h4-12,22H,13-16H2,1-3H3;(H,3,4)(H,5,6)/p-1",C22H27NO.xC2H2O4,,,,,,VCMIRIQOAQFPDB-UHFFFAOYSA-M,,,,,,,,,,,
100.058.865,264-771-7,64291-96-9,3-methyl-2-(p-tolyl)pyridine,3-methyl-2-(4-methylphenyl)pyridine,Cc1ccc(cc1)c2ncccc2C,Cc1ccc(cc1)c2ncccc2C,"InChI=1/C13H13N/c1-10-5-7-12(8-6-10)13-11(2)4-3-9-14-13/h3-9H,1-2H3",C13H13N,,,,,,RYRDKQYQAMRCHF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.874,264-781-1,64338-17-6,"2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.5.2]pentadecan-15-one","2,2,4,4,10,10,12,12-octamethyl-7-oxa-3,11,14-triazadispiro[5.1.5.2]pentadecan-15-one",CC1(C)CC2(CC(C)(C)N1)NC(=O)C3(CC(C)(C)NC(C)(C)C3)O2,CC1(C)CC2(CC(C)(C)N1)NC(=O)C3(CC(C)(C)NC(C)(C)C3)O2,"InChI=1/C19H35N3O2/c1-14(2)9-18(10-15(3,4)21-14)13(23)20-19(24-18)11-16(5,6)22-17(7,8)12-19/h21-22H,9-12H2,1-8H3,(H,20,23)",C19H35N3O2,,,,,,ZXAKTFGAXOORCD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.503,266-574-1,67107-93-1,"3,3-dichlorodihydro-5-octylfuran-2(3H)-one","3,3-dichloro-5-octyldihydrofuran-2(3H)-one",CCCCCCCCC1CC(Cl)(Cl)C(=O)O1,CCCCCCCCC1CC(Cl)(Cl)C(=O)O1,"InChI=1/C12H20Cl2O2/c1-2-3-4-5-6-7-8-10-9-12(13,14)11(15)16-10/h10H,2-9H2,1H3",C12H20Cl2O2,,,,,,QDKANTPXWBDDQU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.510,266-582-5,67124-09-8,1-(tert-dodecylthio)propan-2-ol,"1-[(9,9-dimethyldecyl)sulfanyl]propan-2-ol",CC(O)CSCCCCCCCCC(C)(C)C,CC(O)CSCCCCCCCCC(C)(C)C,"InChI=1/C15H32OS/c1-14(16)13-17-12-10-8-6-5-7-9-11-15(2,3)4/h14,16H,5-13H2,1-4H3",C15H32OS,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13334,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.510,XROXSXGRRMHJFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.514,266-586-7,67146-22-9,"2,5-dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid","(5-thioxo-2,5-dihydro-1H-tetrazol-1-yl)methanesulfonic acid",OS(=O)(=O)CN1NN=NC1=S,OS(=O)(=O)CN1NN=NC1=S,"InChI=1/C2H4N4O3S2/c7-11(8,9)1-6-2(10)3-4-5-6/h1H2,(H,3,5,10)(H,7,8,9)",C2H4N4O3S2,,,,,,NLDLXEAUMGUSPX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.522,266-595-6,67170-90-5,"Pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate","pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CCC(CC(=O)[O-])(C(=O)[O-])P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CCC(CC(=O)[O-])(C(=O)[O-])P(=O)([O-])[O-],"InChI=1/C7H11O9P.5Na/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);;;;;/q;5*+1/p-5",C7H11O9P.5Na,,,,,,LIQLLUGYBKEWRJ-UHFFFAOYSA-I,,,,,,,,,,,
100.033.094,236-419-2,13360-78-6,Sodium diisobutyldithiophosphinate,sodium diisobutylphosphinodithioate,[Na+].CC(C)CP(=S)([S-])CC(C)C,[Na+].CC(C)CP(=S)([S-])CC(C)C,"InChI=1/C8H19PS2.Na/c1-7(2)5-9(10,11)6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/q;+1/p-1",C8H19PS2.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12303,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.094,OJNSBQOHIIYIQN-UHFFFAOYSA-M,,,,,,,,,,,
100.033.096,236-421-3,13361-30-3,Isopropyl cyanoacetate,isopropyl cyanoacetate,CC(C)OC(=O)CC#N,CC(C)OC(=O)CC#N,"InChI=1/C6H9NO2/c1-5(2)9-6(8)3-4-7/h5H,3H2,1-2H3",C6H9NO2,,,,,,BESQLCCRQYTQQI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.111,236-438-6,13368-65-5,(+)-3-methylcyclohexanone,3-methylcyclohexanone,CC1CCCC(=O)C1,CC1CCCC(=O)C1,"InChI=1/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3",C7H12O,,,,,,UJBOOUHRTQVGRU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.116,236-443-3,13371-17-0,Butyltriphenylphosphonium chloride,butyl(triphenyl)phosphonium chloride,[Cl-].CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1",C22H24P.Cl,,,,,,MFIUDWFSVDFDDY-UHFFFAOYSA-M,,,,,,,,,,,
100.033.118,236-445-4,13372-18-4,Dihexadecyl phthalate,dihexadecyl phthalate,CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C40H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-43-39(41)37-33-29-30-34-38(37)40(42)44-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28,31-32,35-36H2,1-2H3",C40H70O4,,,,,,WKXCGJKBBBBNPF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.628,238-108-7,14236-02-3,Isopropyl (hydroxymethyl)-carbamate,isopropyl (hydroxymethyl)carbamate,CC(C)OC(=O)NCO,CC(C)OC(=O)NCO,"InChI=1/C5H11NO3/c1-4(2)9-5(8)6-3-7/h4,7H,3H2,1-2H3,(H,6,8)",C5H11NO3,,,,,,DDAPWCYXRCDPQS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.629,238-109-2,14236-50-1,Bis(hexadecanoato-O)hydroxyaluminium,aluminum hydroxide dihexadecanoate,CCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/2C16H32O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2*2-15H2,1H3,(H,17,18);;1H2/q;;+3;/p-3/rC32H63AlO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)37-33(36)38-32(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-30H2,1-2H3",C32H63AlO5,,,,,,DXUAAUQADXUQQB-UHFFFAOYSA-K,,,,,,,,,,,
100.034.630,238-110-8,14239-17-9,Lithium butyltriisobutylaluminate,lithium butyl(triisobutyl)aluminate(1-),[Li+].CCCC[Al-](CC(C)C)(CC(C)C)CC(C)C,[Li+].CCCC[Al-](CC(C)C)(CC(C)C)CC(C)C,"InChI=1/4C4H9.Al.Li/c3*1-4(2)3;1-3-4-2;;/h3*4H,1H2,2-3H3;1,3-4H2,2H3;;/q;;;;-1;+1/rC16H36Al.Li/c1-8-9-10-17(11-14(2)3,12-15(4)5)13-16(6)7;/h14-16H,8-13H2,1-7H3;/q-1;+1",C16H36Al.Li,,,,,,FYVDOAVBRKMCOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.424,234-580-3,12013-15-9,Tricopper tetrahydroxide sulphate,tricopper tetrahydroxide sulphate,[OH-].[OH-].[OH-].[OH-].[Cu+2].[Cu+2].[Cu+2].[O-]S([O-])(=O)=O,[OH-].[OH-].[OH-].[OH-].[Cu+2].[Cu+2].[Cu+2].[O-]S([O-])(=O)=O,"InChI=1/3Cu.H2O4S.4H2O/c;;;1-5(2,3)4;;;;/h;;;(H2,1,2,3,4);4*1H2/q3*+2;;;;;/p-6",Cu3H4O8S,,,,,,PGZPBCJSKZAQMA-UHFFFAOYSA-H,,,,,,,,,,,
100.031.440,234-598-1,12014-50-5,"Cerium, compound with iron (1:2)",cerium - iron (1:2),[Fe].[Fe].[Ce],[Fe].[Fe].[Ce],InChI=1/Ce.2Fe/q+3;2*+2,Ce.Fe,,,,,,MQXRWMALCYBMSC-UHFFFAOYSA-N,,,,,,,,,,,
100.031.461,234-621-5,12017-50-4,"Cobalt, compound with gadolinium (3:1)",cobalt - gadolinium (3:1),[Co].[Co].[Co].[Gd],[Co].[Co].[Co].[Gd],InChI=1/3Co.Gd/q3*+2;+3,Co.Gd,,,,,,ITISPOIXQUHMMC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.483,240-149-0,16012-70-7,L-alanyl(benzyloxycarbonyl)-L-alanine,L-alanyl-N-[(benzyloxy)carbonyl]-L-alanine,C[C@H](N)C(=O)N([C@@H](C)C(=O)O)C(=O)OCc1ccccc1,C[C@H](N)C(=O)N([C@@H](C)C(=O)O)C(=O)OCc1ccccc1,"InChI=1/C14H18N2O5/c1-9(15)12(17)16(10(2)13(18)19)14(20)21-8-11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3,(H,18,19)",C14H18N2O5,,,,,,NAGPRSKMAWUDOI-UWVGGRQHSA-N,,,,,,,,,,,
100.036.493,240-160-0,16023-30-6,Diethyl(2-hydroxyethyl)ammonium lactate,"N,N-diethyl-2-hydroxyethanaminium 2-hydroxypropanoate",CC[NH+](CC)CCO.CC(O)C(=O)[O-],CC[NH+](CC)CCO.CC(O)C(=O)[O-],"InChI=1/C6H15NO.C3H6O3/c1-3-7(4-2)5-6-8;1-2(4)3(5)6/h8H,3-6H2,1-2H3;2,4H,1H3,(H,5,6)",C6H15NO.C3H6O3,,,,,,AGXJJJJSMPEISC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.756,241-548-2,17577-28-5,(2-ethoxy-2-oxoethyl)triphenylphosphonium chloride,(2-ethoxy-2-oxoethyl)(triphenyl)phosphonium chloride,[Cl-].CCOC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].CCOC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H22O2P.ClH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1",C22H22O2P.Cl,,,,,,DJGHVEPNEJKZBF-UHFFFAOYSA-M,,,,,,,,,,,
100.037.765,241-558-7,17589-14-9,Bis(1-methylpropyl)magnesium,di-sec-butylmagnesium,CCC(C)[Mg]C(C)CC,CCC(C)[Mg]C(C)CC,"InChI=1/2C4H9.Mg/c2*1-3-4-2;/h2*3H,4H2,1-2H3;/rC8H18Mg/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3",C8H18Mg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11284,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.765,SPXDYPYJHCSREL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.770,241-563-4,17597-95-4,"1-(2,2-dimethoxyethoxy)hexane","1-(2,2-dimethoxyethoxy)hexane",CCCCCCOCC(OC)OC,CCCCCCOCC(OC)OC,"InChI=1/C10H22O3/c1-4-5-6-7-8-13-9-10(11-2)12-3/h10H,4-9H2,1-3H3",C10H22O3,,,,,,LIVMHHPZBYEKCU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.436,267-600-4,67892-98-2,"N,N'-[(9,10-dihydro-9,10-dioxoanthracene-1,5-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-1,4-diyl)]]bisbenzamide","N,N'-{(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide",O=C(Nc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c57)cccc4C(=O)c23)c9C(=O)c%10ccccc%10C(=O)c19)c%11ccccc%11,O=C(Nc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c57)cccc4C(=O)c23)c9C(=O)c%10ccccc%10C(=O)c19)c%11ccccc%11,"InChI=1/C56H32N4O8/c61-49-31-17-7-9-19-33(31)51(63)47-41(59-55(67)29-13-3-1-4-14-29)27-25-39(45(47)49)57-37-23-11-21-35-43(37)53(65)36-22-12-24-38(44(36)54(35)66)58-40-26-28-42(60-56(68)30-15-5-2-6-16-30)48-46(40)50(62)32-18-8-10-20-34(32)52(48)64/h1-28,57-58H,(H,59,67)(H,60,68)",C56H32N4O8,,,,,,SKYMWPITQOCWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.441,267-606-7,67893-03-2,1-methyl-4-(1-methylvinyl)cyclohexyl formate,4-isopropenyl-1-methylcyclohexyl formate,CC(=C)C1CCC(C)(CC1)OC=O,CC(=C)C1CCC(C)(CC1)OC=O,"InChI=1/C11H18O2/c1-9(2)10-4-6-11(3,7-5-10)13-8-12/h8,10H,1,4-7H2,2-3H3",C11H18O2,,,,,,WQRJOCPPRFYRBF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.443,267-608-8,67893-05-4,Ethyl 3-methyl-4-oxoheptanoate,ethyl 3-methyl-4-oxoheptanoate,CCCC(=O)C(C)CC(=O)OCC,CCCC(=O)C(C)CC(=O)OCC,"InChI=1/C10H18O3/c1-4-6-9(11)8(3)7-10(12)13-5-2/h8H,4-7H2,1-3H3",C10H18O3,,,,,,DXRJGHNIYCEKBM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.450,267-616-1,67893-41-8,Dipotassium 2-[(carboxylatomethyl)amino]benzoate,dipotassium 2-[(carboxylatomethyl)amino]benzoate,[K+].[K+].[O-]C(=O)CNc1ccccc1C(=O)[O-],[K+].[K+].[O-]C(=O)CNc1ccccc1C(=O)[O-],"InChI=1/C9H9NO4.2K/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14;;/h1-4,10H,5H2,(H,11,12)(H,13,14);;/q;2*+1/p-2",C9H9NO4.2K,,,,,,TVYHQNJYGREIOE-UHFFFAOYSA-L,,,,,,,,,,,
100.061.452,267-618-2,67893-44-1,"Sodium [3-[4-(benzoylamino)-2,5-diethoxyphenyl]-1-methyl-2-triazenyl]acetate","sodium {3-[4-(benzoylamino)-2,5-diethoxyphenyl]-1-methyltriaz-2-en-1-yl}acetate",[Na+].CCOc2cc(NC(=O)c1ccccc1)c(cc2N=NN(C)CC([O-])=O)OCC,[Na+].CCOc2cc(NC(=O)c1ccccc1)c(cc2N=NN(C)CC([O-])=O)OCC,"InChI=1/C20H24N4O5.Na/c1-4-28-17-12-16(22-23-24(3)13-19(25)26)18(29-5-2)11-15(17)21-20(27)14-9-7-6-8-10-14;/h6-12H,4-5,13H2,1-3H3,(H,21,27)(H,25,26);/q;+1/p-1",C20H24N4O5.Na,,,,,,JRNXKGFDRGOWLX-UHFFFAOYSA-M,,,,,,,,,,,
100.061.454,267-620-3,67893-46-3,Sodium 3-[[4-acetamidophenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate,sodium 3-[(4-acetamidophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonate,[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2ccc(N)cc2c3O)S([O-])(=O)=O,[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2ccc(N)cc2c3O)S([O-])(=O)=O,"InChI=1/C18H16N4O5S.Na/c1-10(23)20-13-4-6-14(7-5-13)21-22-17-16(28(25,26)27)8-11-2-3-12(19)9-15(11)18(17)24;/h2-9,24H,19H2,1H3,(H,20,23)(H,25,26,27);/q;+1/p-1",C18H16N4O5S.Na,,,,,,DOSPQUHZDXMGRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.056.898,262-607-9,61099-36-3,"Dihydro-5-(5-methoxy-1,5-dimethylhexyl)furan-2(3H)-one","5-(5-methoxy-1,5-dimethylhexyl)dihydrofuran-2(3H)-one",COC(C)(C)CCCC(C)C1CCC(=O)O1,COC(C)(C)CCCC(C)C1CCC(=O)O1,"InChI=1/C13H24O3/c1-10(11-7-8-12(14)16-11)6-5-9-13(2,3)15-4/h10-11H,5-9H2,1-4H3",C13H24O3,,,,,,BZWMNDPUJKKIEE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.904,262-614-7,61114-28-1,"Phosphoric acid, calcium magnesium strontium salt",-,[Mg+2].[Ca+2].[Sr+2].[O-]P(=O)([O-])[O-],[Mg+2].[Ca+2].[Sr+2].[O-]P(=O)([O-])[O-],"InChI=1/Ca.Mg.H3O4P.Sr/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);/q2*+2;;+2/p-3",Ca.xH3O4P.xMg.xSr,,,,,,QJIZUHBGJVUHNS-UHFFFAOYSA-K,,,,,,,,,,,
100.056.911,262-622-0,61138-44-1,"4-chloro-3-[[1-[2,6-dichloro-4-(methylsulphonyl)phenyl]-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]amino]-N-hexadecyl-N-methylbenzamide","4-chloro-3-({1-[2,6-dichloro-4-(methylsulfonyl)phenyl]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}amino)-N-hexadecyl-N-methylbenzamide",CCCCCCCCCCCCCCCCN(C)C(=O)c1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(cc3Cl)S(=O)(=O)C)c1,CCCCCCCCCCCCCCCCN(C)C(=O)c1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(cc3Cl)S(=O)(=O)C)c1,"InChI=1/C34H47Cl3N4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-40(2)34(43)25-18-19-27(35)30(21-25)38-31-24-32(42)41(39-31)33-28(36)22-26(23-29(33)37)46(3,44)45/h18-19,21-23H,4-17,20,24H2,1-3H3,(H,38,39)",C34H47Cl3N4O4S,,,,,,JDMRZQRJEQUNHK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.915,262-626-2,61147-38-4,2-[2-(diethylamino)ethoxy]ethyl 2-(4-isobutylphenyl)butyrate,2-[2-(diethylamino)ethoxy]ethyl 2-(4-isobutylphenyl)butanoate,CCC(C(=O)OCCOCCN(CC)CC)c1ccc(CC(C)C)cc1,CCC(C(=O)OCCOCCN(CC)CC)c1ccc(CC(C)C)cc1,"InChI=1/C22H37NO3/c1-6-21(20-11-9-19(10-12-20)17-18(4)5)22(24)26-16-15-25-14-13-23(7-2)8-3/h9-12,18,21H,6-8,13-17H2,1-5H3",C22H37NO3,,,,,,IWCUIKPFNBGDGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.923,262-635-1,61167-62-2,"5-oxo-L-proline, compound with methyl N-lauroyl-L-argininate (1:1)",5-oxo-L-proline - methyl N~2~-dodecanoyl-L-argininate (1:1),OC(=O)[C@@H]1CCC(=O)N1.NC(=N)NCCC[C@H](NC(=O)CCCCCCCCCCC)C(=O)OC,OC(=O)[C@@H]1CCC(=O)N1.NC(=N)NCCC[C@H](NC(=O)CCCCCCCCCCC)C(=O)OC,"InChI=1/C19H38N4O3.C5H7NO3/c1-3-4-5-6-7-8-9-10-11-14-17(24)23-16(18(25)26-2)13-12-15-22-19(20)21;7-4-2-1-3(6-4)5(8)9/h16H,3-15H2,1-2H3,(H,23,24)(H4,20,21,22);3H,1-2H2,(H,6,7)(H,8,9)",C19H38N4O3.C5H7NO3,,,,,,DNJMIOMRJFMJFG-IOIXYPRTSA-N,,,,,,,,,,,
100.056.924,262-636-7,61168-62-5,Ammonium ethylbenzenesulphonate,ammonium 2-ethylbenzenesulfonate,[NH4+].CCc1ccccc1S(=O)(=O)[O-],[NH4+].CCc1ccccc1S(=O)(=O)[O-],"InChI=1/C8H10O3S.H3N/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h3-6H,2H2,1H3,(H,9,10,11);1H3",C8H10O3S.H3N,,,,,,KWYUNQQDYXTBAB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.925,262-637-2,61175-77-7,Butyltripropylammonium bromide,"N,N,N-tripropylbutan-1-aminium bromide",[Br-].CCCC[N+](CCC)(CCC)CCC,[Br-].CCCC[N+](CCC)(CCC)CCC,"InChI=1/C13H30N.BrH/c1-5-9-13-14(10-6-2,11-7-3)12-8-4;/h5-13H2,1-4H3;1H/q+1;/p-1",C13H30N.Br,,,,,,SXUONWAMSFNGTD-UHFFFAOYSA-M,,,,,,,,,,,
100.041.095,245-221-5,22790-12-1,"2,2'-[oxybis(ethane-2,1-diyloxy)]bisethyl diacetate","13-oxo-3,6,9,12-tetraoxatetradec-1-yl acetate (non-preferred name)",CC(=O)OCCOCCOCCOCCOC(=O)C,CC(=O)OCCOCCOCCOCCOC(=O)C,"InChI=1/C12H22O7/c1-11(13)18-9-7-16-5-3-15-4-6-17-8-10-19-12(2)14/h3-10H2,1-2H3",C12H22O7,,,,,,DXYGJDUJLDXFOD-UHFFFAOYSA-N,,,,,,,,,,,
100.041.097,245-223-6,22791-77-1,Tetrahydro-3-propyl-2H-pyran-2-one,3-propyltetrahydro-2H-pyran-2-one,CCCC1CCCOC1=O,CCCC1CCCOC1=O,"InChI=1/C8H14O2/c1-2-4-7-5-3-6-10-8(7)9/h7H,2-6H2,1H3",C8H14O2,,,,,,LANLMKRVDNOZFB-UHFFFAOYSA-N,,,,,,,,,,,
100.041.099,245-225-7,22796-26-5,"2,3-dihydro-5,6-dimethyl-1,4-dithiin","5,6-dimethyl-2,3-dihydro-1,4-dithiine",CC1=C(C)SCCS1,CC1=C(C)SCCS1,"InChI=1/C6H10S2/c1-5-6(2)8-4-3-7-5/h3-4H2,1-2H3",C6H10S2,,,,,,FAYLFGHUYPPDPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.041.101,245-227-8,22800-25-5,"(S)-2-tridecyl-2,5-dihydro-4-methyl-5-oxo-3-furoic acid","4-methyl-5-oxo-2-tridecyl-2,5-dihydrofuran-3-carboxylic acid",CCCCCCCCCCCCC[C@@H]1OC(=O)C(=C1C(=O)O)C,CCCCCCCCCCCCC[C@@H]1OC(=O)C(=C1C(=O)O)C,"InChI=1/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16H,3-14H2,1-2H3,(H,20,21)",C19H32O4,,,,,,SLQVVNFTCYVCPB-INIZCTEOSA-N,,,,,,,,,,,
100.041.102,245-228-3,22801-45-2,2-octyldodecyl oleate,2-octyldodecyl octadec-9-enoate,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C38H74O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-26-29-32-35-38(39)40-36-37(33-30-27-15-12-9-6-3)34-31-28-25-17-14-11-8-5-2/h20-21,37H,4-19,22-36H2,1-3H3",C38H74O2,,,,,,GECRRQVLQHRVNH-MRCUWXFGSA-N,,,,,,,,,,,
100.041.104,245-230-4,22802-67-1,Methyl 5-amino-o-anisate,methyl 5-amino-2-methoxybenzoate,COC(=O)c1cc(N)ccc1OC,COC(=O)c1cc(N)ccc1OC,"InChI=1/C9H11NO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,10H2,1-2H3",C9H11NO3,,,,,,PSCXCIPPRCFAAO-UHFFFAOYSA-N,,,,,,,,,,,
100.041.105,245-232-5,22802-96-6,"1,10-phenanthroline hydrochloride","1,10-phenanthroline hydrochloride",Cl.c1cnc2c(c1)ccc3cccnc23,Cl.c1cnc2c(c1)ccc3cccnc23,InChI=1/C12H8N2.ClH/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H,C12H8N2.xClH,,,,,,QPXDKQBBJCTNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.108,245-235-1,22808-73-7,Methyl 4-sulphamoylbenzoate,methyl 4-sulfamoylbenzoate,COC(=O)c1ccc(cc1)S(=O)(=O)N,COC(=O)c1ccc(cc1)S(=O)(=O)N,"InChI=1/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)",C8H9NO4S,,,,,,XLOVNJUCAFIANM-UHFFFAOYSA-N,,,,,,,,,,,
100.041.109,245-236-7,22809-37-6,6-bromohexanoyl chloride,6-bromohexanoyl chloride,ClC(=O)CCCCCBr,ClC(=O)CCCCCBr,InChI=1/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H2,C6H10BrClO,,,,,,HBPVGJGBRWIVSX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.087,240-812-4,16747-42-5,"2,2,4,5-tetramethylhexane","2,2,4,5-tetramethylhexane",CC(C)C(C)CC(C)(C)C,CC(C)C(C)CC(C)(C)C,"InChI=1/C10H22/c1-8(2)9(3)7-10(4,5)6/h8-9H,7H2,1-6H3",C10H22,,,,,,KDRZICOOQNIJDN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.093,240-819-2,16761-04-9,5-dimethylamino-2-nitrosophenol,5-(dimethylamino)-2-nitrosophenol,CN(C)c1ccc(N=O)c(O)c1,CN(C)c1ccc(N=O)c(O)c1,"InChI=1/C8H10N2O2/c1-10(2)6-3-4-7(9-12)8(11)5-6/h3-5,11H,1-2H3",C8H10N2O2,,,,,,RXCPNLWXGCCTFR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.094,240-820-8,16761-12-9,Potassium heptanoate,potassium heptanoate,[K+].CCCCCCC(=O)[O-],[K+].CCCCCCC(=O)[O-],"InChI=1/C7H14O2.K/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1",C7H14O2.K,,,,,,YOSXTSJZQNTKKX-UHFFFAOYSA-M,,,,,,,,,,,
100.037.095,240-821-3,16766-09-9,"N,N'-(dithiodi-4,1-phenylene)bisacetamide","N,N'-(disulfanediyldi-4,1-phenylene)diacetamide",CC(=O)Nc1ccc(SSc2ccc(NC(=O)C)cc2)cc1,CC(=O)Nc1ccc(SSc2ccc(NC(=O)C)cc2)cc1,"InChI=1/C16H16N2O2S2/c1-11(19)17-13-3-7-15(8-4-13)21-22-16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)",C16H16N2O2S2,,,,,,XDZOVXPAGVIXBS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.096,240-822-9,16766-90-8,1-(trichloromethyl)-3-(trifluoromethyl)benzene,1-(trichloromethyl)-3-(trifluoromethyl)benzene,FC(F)(F)c1cccc(c1)C(Cl)(Cl)Cl,FC(F)(F)c1cccc(c1)C(Cl)(Cl)Cl,"InChI=1/C8H4Cl3F3/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H",C8H4Cl3F3,,,,,,SKWWCKGHUDPXOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.097,240-823-4,16768-46-0,"Trisodium 5-amino-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-amino-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H13N3O10S3.3Na/c17-10-7-9(30(21,22)23)5-8-6-13(32(27,28)29)15(16(20)14(8)10)19-18-11-3-1-2-4-12(11)31(24,25)26;;;/h1-7,20H,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3",C16H13N3O10S3.3Na,,,,,,CHCJFNTZDZEDOV-UHFFFAOYSA-K,,,,,,,,,,,
100.037.104,240-831-8,16783-11-2,"Ethyl 2,2-dimethylcyclopropanecarboxylate","ethyl 2,2-dimethylcyclopropanecarboxylate",CCOC(=O)C1CC1(C)C,CCOC(=O)C1CC1(C)C,"InChI=1/C8H14O2/c1-4-10-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3",C8H14O2,,,,,,OMQDMPAJKBUQSL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.525,266-598-2,67178-60-3,"N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-(4-tert-pentylphenoxy)myristamide","N-(4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)-2-[4-(1,1-dimethylpropyl)phenoxy]tetradecanamide",CCCCCCCCCCCCC(Oc1ccc(cc1)C(C)(C)CC)C(=O)Nc2ccc(Cl)c(NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c2,CCCCCCCCCCCCC(Oc1ccc(cc1)C(C)(C)CC)C(=O)Nc2ccc(Cl)c(NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c2,"InChI=1/C40H50Cl4N4O3/c1-5-7-8-9-10-11-12-13-14-15-16-35(51-30-20-17-27(18-21-30)40(3,4)6-2)39(50)45-29-19-22-31(42)34(25-29)46-36-26-37(49)48(47-36)38-32(43)23-28(41)24-33(38)44/h17-25,35H,5-16,26H2,1-4H3,(H,45,50)(H,46,47)",C40H50Cl4N4O3,,,,,,ZCYMCWUCKCGHNC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.528,266-601-7,67190-18-5,Cerium trisodium bis(phosphate),cerium trisodium bis(phosphate),[Na+].[Na+].[Na+].[Ce+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Ce+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Ce.3Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6",Ce.2H3O4P.3Na,,,,,,BQDCZWPGKNIMLL-UHFFFAOYSA-H,,,,,,,,,,,
100.055.504,261-073-4,58019-27-5,"Diaminoanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione","1,2-diaminoanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",Nc1ccc2C(=O)c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(c2c1N)c3c49)c5c68,Nc1ccc2C(=O)c3ccc4c5ccc6C(=O)c7ccccc7c8ccc(c9ccc(c2c1N)c3c49)c5c68,"InChI=1/C34H18N2O2/c35-26-14-13-25-31(32(26)36)22-10-7-18-17-6-5-16-15-3-1-2-4-21(15)33(37)23-11-8-19(27(17)29(16)23)20-9-12-24(34(25)38)30(22)28(18)20/h1-14H,35-36H2",C34H18N2O2,,,,,,OREWMIWXOLAJSE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.510,261-080-2,58045-23-1,(Z)-4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazine-1-ethanol dihydrochloride,2-{4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazin-1-yl}ethanol dihydrochloride,Cl.Cl.OCCN1CCN(CC\\C=C/2\\c3ccccc3Sc4ccc(Cl)cc24)CC1,Cl.Cl.OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H",C22H25ClN2OS.2ClH,,,,,,LPWNZMIBFHMYMX-MHKBYHAFSA-N,,,,,,,,,,,
100.055.514,261-084-4,58049-96-0,N-[5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-6-cyano-4-nitrophenyl)azo]-4-methoxyphenyl]acetamide,N-{5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-4-methoxyphenyl}acetamide,Clc2cc(cc(C#N)c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O,Clc2cc(cc(C#N)c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O,"InChI=1/C22H25ClN6O6/c1-14(30)25-18-11-20(28(5-7-33-2)6-8-34-3)21(35-4)12-19(18)26-27-22-15(13-24)9-16(29(31)32)10-17(22)23/h9-12H,5-8H2,1-4H3,(H,25,30)",C22H25ClN6O6,,,,,,MVVWURWLNQHWMV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.516,261-087-0,58061-48-6,N-butylpyridine-2-methylamine,N-(pyridin-2-ylmethyl)butan-1-amine,CCCCNCc1ccccn1,CCCCNCc1ccccn1,"InChI=1/C10H16N2/c1-2-3-7-11-9-10-6-4-5-8-12-10/h4-6,8,11H,2-3,7,9H2,1H3",C10H16N2,,,,,,YIHVRGYQUTZXNL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.519,261-090-7,58066-96-9,2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethanol,2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethanol,CCN(CCO)c1ccc(N=O)c(C)c1,CCN(CCO)c1ccc(N=O)c(C)c1,"InChI=1/C11H16N2O2/c1-3-13(6-7-14)10-4-5-11(12-15)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3",C11H16N2O2,,,,,,GORXOMQYBYURLM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.525,261-097-5,58072-89-2,"(2a,6a,11R*)-(±)-3-benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","3-benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc4ccccc4,CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc4ccccc4,"InChI=1/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3",C21H25NO,,,,,,RPMPAQXGZYLEST-UVDRSEBZSA-N,,,,,,,,,,,
100.055.534,261-107-8,58086-35-4,(2-hydroxytrimethylene)bis(trimethylammonium) dibromide,"2-hydroxy-N,N,N,N',N',N'-hexamethylpropane-1,3-diaminium dibromide",[Br-].[Br-].C[N+](C)(C)CC(O)C[N+](C)(C)C,[Br-].[Br-].C[N+](C)(C)CC(O)C[N+](C)(C)C,"InChI=1/C9H24N2O.2BrH/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2",C9H24N2O.2Br,,,,,,BIKNTKSEMWGCDC-UHFFFAOYSA-L,,,,,,,,,,,
100.055.535,261-108-3,58086-67-2,2-fluoro-1-methylpyridinium toluene-p-sulphonate,2-fluoro-1-methylpyridinium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2ccccc2F,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2ccccc2F,"InChI=1/C7H8O3S.C6H7FN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1",C7H7O3S.C6H7FN,,,,,,HQWDKLAIDBOLFE-UHFFFAOYSA-M,,,,,,,,,,,
100.055.541,261-115-1,58096-27-8,"[1S-(1a,2ß,3a,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid","2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid",CC1C(CC2CC1C2(C)C)C(=O)O,CC1C(CC2CC1C2(C)C)C(=O)O,"InChI=1/C11H18O2/c1-6-8(10(12)13)4-7-5-9(6)11(7,2)3/h6-9H,4-5H2,1-3H3,(H,12,13)",C11H18O2,,,,,,YCJJWXPLEWSYFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.544,261-118-8,58096-47-2,"Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate","1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl formate",CC12CCCC3(C1)C(CC(C)(C)C3CC2)OC=O,CC12CCCC3(C1)C(CC(C)(C)C3CC2)OC=O,"InChI=1/C16H26O2/c1-14(2)9-13(18-11-17)16-7-4-6-15(3,10-16)8-5-12(14)16/h11-13H,4-10H2,1-3H3",C16H26O2,,,,,,WXBDWVKJVASAHR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.015,238-533-8,14521-18-7,Ruthenium pentafluoride,-,[F-].[F-].[F-].[F-].[F-].[Ru+2],[F-].[F-].[F-].[F-].[F-].[Ru+2],InChI=1/5FH.Ru/h5*1H;/q;;;;;+2/p-5,F5Ru,,,,,,KURQSAXNXBNTIL-UHFFFAOYSA-I,,,,,,,,,,,
100.035.023,238-542-7,14525-44-1,N-2-naphthyl-L-glutamine,N~2~-2-naphthylglutamine,NC(=O)CCC(Nc1ccc2ccccc2c1)C(=O)O,NC(=O)CCC(Nc1ccc2ccccc2c1)C(=O)O,"InChI=1/C15H16N2O3/c16-14(18)8-7-13(15(19)20)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,17H,7-8H2,(H2,16,18)(H,19,20)",C15H16N2O3,,,,,,LRSCKKDFEZPTFH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.036,238-556-3,14531-35-2,Methyl 3-oxoicosanoate,methyl 3-oxoicosanoate,CCCCCCCCCCCCCCCCCC(=O)CC(=O)OC,CCCCCCCCCCCCCCCCCC(=O)CC(=O)OC,"InChI=1/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24-2/h3-19H2,1-2H3",C21H40O3,,,,,,ZHYWEHNCZJJFQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.037,238-557-9,14531-56-7,"Dilithium N,N'-ethylenebis[N-(carboxymethyl)aminoacetate]","dilithium 2,2'-{ethane-1,2-diylbis[(carboxymethyl)imino]}diacetate (non-preferred name)",[Li]OC(=O)CN(CCN(CC(=O)O)CC(=O)O[Li])CC(=O)O,[Li]OC(=O)CN(CCN(CC(=O)O)CC(=O)O[Li])CC(=O)O,"InChI=1/C10H16N2O8.2Li/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2",C10H16N2O8.2Li,,,,,,RDSDRBIJHLVNSE-UHFFFAOYSA-L,,,,,,,,,,,
100.035.043,238-564-7,14533-63-2,Sodium propanesulphonate,sodium propane-1-sulfonate,[Na+].CCCS(=O)(=O)[O-],[Na+].CCCS(=O)(=O)[O-],"InChI=1/C3H8O3S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1",C3H8O3S.Na,,,,,,NPAWNPCNZAPTKA-UHFFFAOYSA-M,,,,,,,,,,,
100.035.046,238-567-3,14534-95-3,Potassium quinolin-8-yl sulphate,potassium quinolin-8-yl sulfate,[K+].[O-]S(=O)(=O)Oc1cccc2cccnc12,[K+].[O-]S(=O)(=O)Oc1cccc2cccnc12,"InChI=1/C9H7NO4S.K/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6H,(H,11,12,13);/q;+1/p-1",C9H7NO4S.K,,,,,,DWBSXHMYTSZXQL-UHFFFAOYSA-M,,,,,,,,,,,
100.035.050,238-572-0,14538-56-8,Piperazinium dihydrogen phosphate,piperazin-1-ium dihydrogen phosphate,[O-]P(=O)([O-])[O-].C1C[NH2+]CCN1,[O-]P(=O)([O-])[O-].C1C[NH2+]CCN1,"InChI=1/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4)/p-2",C4H10N2.H3O4P,,,,,,NQQWFVUVBGSGQN-UHFFFAOYSA-L,,,,,,,,,,,
100.035.051,238-573-6,14541-90-3,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[m-(vinylsulphonyl)anilino]anthracene-2-sulphonate","sodium 1-amino-9,10-dioxo-4-{[3-(vinylsulfonyl)phenyl]amino}-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)C=C)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)C=C)cc1S(=O)(=O)[O-],"InChI=1/C22H16N2O7S2.Na/c1-2-32(27,28)13-7-5-6-12(10-13)24-16-11-17(33(29,30)31)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26;/h2-11,24H,1,23H2,(H,29,30,31);/q;+1/p-1",C22H16N2O7S2.Na,,,,,,ANOULJGZTVOIFB-UHFFFAOYSA-M,,,,,,,,,,,
100.034.645,238-127-0,14252-84-7,(E)-3-hexenyl)dihydro-5-methylfuran-2(3H)-one,5-hex-3-en-1-yl-5-methyldihydrofuran-2(3H)-one,CCC=CCCC1(C)CCC(=O)O1,CCC=CCCC1(C)CCC(=O)O1,"InChI=1/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3",C11H18O2,,,,,,NIKDJTTZUYNCMM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.649,238-131-2,14254-22-9,Butoxydibutylchlorostannane,butoxy(dibutyl)chlorostannane,CCCCO[Sn](Cl)(CCCC)CCCC,CCCCO[Sn](Cl)(CCCC)CCCC,"InChI=1/C4H9O.2C4H9.ClH.Sn/c1-2-3-4-5;2*1-3-4-2;;/h2-4H2,1H3;2*1,3-4H2,2H3;1H;/q-1;;;;+2/p-1/rC12H27ClOSn/c1-4-7-10-14-15(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",C12H27ClOSn,,,,,,HMNBEAWAEJQTRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.034.658,238-141-7,14260-98-1,2-butoxyethyl dihydrogenphosphate,2-butoxyethyl dihydrogen phosphate,CCCCOCCOP(=O)(O)O,CCCCOCCOP(=O)(O)O,"InChI=1/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)",C6H15O5P,,,,,,TVAJJUOMNRUGQA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.659,238-142-2,14261-75-7,Cloforex,"ethyl [2-(4-chlorophenyl)-1,1-dimethylethyl]carbamate",CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1,CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1,"InChI=1/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)",C13H18ClNO2,,,,,,TZWKUQDQKPYNLL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.668,238-152-7,14263-93-5,"4-cyano-2,5-dimethoxybenzenediazonium tetrachlorozincate (2:1)","bis(4-cyano-2,5-dimethoxybenzenediazonium) tetrachlorozincate(2-)",COc1cc([N+]#N)c(OC)cc1C#N.COc2cc([N+]#N)c(OC)cc2C#N.Cl[Zn-2](Cl)(Cl)Cl,COc1cc([N+]#N)c(OC)cc1C#N.COc2cc([N+]#N)c(OC)cc2C#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C9H8N3O2.4ClH.Zn/c2*1-13-8-4-7(12-11)9(14-2)3-6(8)5-10;;;;;/h2*3-4H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H8N3O2.Cl4Zn/c2*1-13-8-4-7(12-11)9(14-2)3-6(8)5-10;1-5(2,3)4/h2*3-4H,1-2H3;/q2*+1;-2",C9H8N3O2.1/2Cl4Zn,,,,,,DOQXNOPAYGXEND-UHFFFAOYSA-J,,,,,,,,,,,
100.031.492,234-655-0,12020-24-5,"Antimony, compound with erbium (1:1)",-,[Sb].[Er],[Sb].[Er],InChI=1/Er.Sb/q2*+3,Er.Sb,,,,,,ZWYQVOZZNFTGDE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.625,233-701-7,10319-14-9,"2-(4-bromo-3-hydroxy-2-quinolyl)-1H-indene-1,3(2H)-dione","2-(4-bromo-3-hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione",Oc1c(Br)c2ccccc2nc1C3C(=O)c4ccccc4C3=O,Oc1c(Br)c2ccccc2nc1C3C(=O)c4ccccc4C3=O,"InChI=1/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H",C18H10BrNO3,,,,,,DVBLPJWQXDCAKU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.926,262-638-8,61175-88-0,"Exo-3,3-dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride","3,3-dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride",CC1(C)C2CCC(C2)C1C(=O)Cl,CC1(C)C2CCC(C2)C1C(=O)Cl,"InChI=1/C10H15ClO/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3",C10H15ClO,,,,,,MMJZYLSOVDKRTC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.823,264-725-6,64190-48-3,(S)-dihydro-4-methylfuran-2(3H)-one,4-methyldihydrofuran-2(3H)-one,C[C@@H]1COC(=O)C1,C[C@@H]1COC(=O)C1,"InChI=1/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3",C5H8O2,,,,,,ALZLTHLQMAFAPA-BYPYZUCNSA-N,,,,,,,,,,,
100.058.834,264-737-1,64224-70-0,Sodium diethoxyacetate,sodium diethoxyacetate,[Na+].CCOC(OCC)C(=O)[O-],[Na+].CCOC(OCC)C(=O)[O-],"InChI=1/C6H12O4.Na/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1",C6H12O4.Na,,,,,,OHISWSXKWZMJIC-UHFFFAOYSA-M,,,,,,,,,,,
100.058.836,264-739-2,64226-51-3,Disodium 4-amino-4-oxo-2-sulphonatobutyrate,disodium 4-amino-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].NC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].NC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C4H7NO6S.2Na/c5-3(6)1-2(4(7)8)12(9,10)11;;/h2H,1H2,(H2,5,6)(H,7,8)(H,9,10,11);;/q;2*+1/p-2",C4H7NO6S.2Na,,,,,,VLZJAVWCKUZNME-UHFFFAOYSA-L,,,,,,,,,,,
100.058.846,264-750-2,64248-56-2,"1-bromo-2,6-difluorobenzene","2-bromo-1,3-difluorobenzene",Fc1cccc(F)c1Br,Fc1cccc(F)c1Br,InChI=1/C6H3BrF2/c7-6-4(8)2-1-3-5(6)9/h1-3H,C6H3BrF2,,,,,,HRZTZLCMURHWFY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.847,264-751-8,64248-62-0,"3,4-difluorobenzonitrile","3,4-difluorobenzonitrile",Fc1ccc(cc1F)C#N,Fc1ccc(cc1F)C#N,InChI=1/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,C7H3F2N,,,,,,BTBFCBQZFMQBNT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.854,264-759-1,64262-23-3,N-propylpiperazinium dibromide,N-propylpiperazinium dibromide,[Br-].[Br-].CCC[NH+]1CCNCC1.CCC[NH+]2CCNCC2,[Br-].[Br-].CCC[NH+]1CCNCC1.CCC[NH+]2CCNCC2,"InChI=1/2C7H16N2.2BrH/c2*1-2-5-9-6-3-8-4-7-9;;/h2*8H,2-7H2,1H3;2*1H",C7H16N2.2BrH,,,,,,PYTRVOIQDPLYJO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.859,264-764-9,64275-73-6,(Z)-oct-5-en-1-ol,oct-5-en-1-ol,CC\\C=C/CCCCO,CC\C=C/CCCCO,"InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3",C8H16O,,,,,,VDHRTASWKDTLER-ARJAWSKDSA-N,,,,,,,,,,,
100.061.459,267-626-6,67900-54-3,"Magnesium 3-nitronaphthalene-1,5-disulphonate","magnesium 3-nitronaphthalene-1,5-disulfonate",[Mg+2].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Mg+2].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H7NO8S2.Mg/c12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16;/h1-5H,(H,14,15,16)(H,17,18,19);/q;+2/p-2",C10H7NO8S2.Mg,,,,,,PBCIEASBGOILTL-UHFFFAOYSA-L,,,,,,,,,,,
100.061.461,267-628-7,67905-08-2,"2-ethyl-1-propyl-1,3-propanediyl diacrylate",3-(acryloyloxy)-2-ethylhexyl acrylate,CCCC(OC(=O)C=C)C(CC)COC(=O)C=C,CCCC(OC(=O)C=C)C(CC)COC(=O)C=C,"InChI=1/C14H22O4/c1-5-9-12(18-14(16)8-4)11(6-2)10-17-13(15)7-3/h7-8,11-12H,3-6,9-10H2,1-2H3",C14H22O4,,,,,,IWUXTVVCZZSKON-UHFFFAOYSA-N,,,,,,,,,,,
100.061.472,267-640-2,67905-21-9,"4,4-dimethyl-9-oxo-8-oxa-3,5-dithia-4-stannaundecyl propionate","4,4-dimethyl-9-oxo-8-oxa-3,5-dithia-4-stannaundec-1-yl propionate (non-preferred name)",CCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CC,CCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CC,"InChI=1/2C5H10O2S.2CH3.Sn/c2*1-2-5(6)7-3-4-8;;;/h2*8H,2-4H2,1H3;2*1H3;/q;;;;+2/p-2/rC12H24O4S2Sn/c1-5-11(13)15-7-9-17-19(3,4)18-10-8-16-12(14)6-2/h5-10H2,1-4H3",C12H24O4S2Sn,,,,,,VEQLFJGAGYWYIR-UHFFFAOYSA-L,,,,,,,,,,,
100.061.473,267-641-8,67905-22-0,"4-butyl-9-oxo-4-[[2-(propionyloxy)ethyl]thio]-8-oxa-3,5-dithia-4-stannaundecyl propionate","4-butyl-9-oxo-4-{[2-(propionyloxy)ethyl]sulfanyl}-8-oxa-3,5-dithia-4-stannaundec-1-yl propionate (non-preferred name)",CCCC[Sn](SCCOC(=O)CC)(SCCOC(=O)CC)SCCOC(=O)CC,CCCC[Sn](SCCOC(=O)CC)(SCCOC(=O)CC)SCCOC(=O)CC,"InChI=1/3C5H10O2S.C4H9.Sn/c3*1-2-5(6)7-3-4-8;1-3-4-2;/h3*8H,2-4H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC19H36O6S3Sn/c1-5-9-16-29(26-13-10-23-17(20)6-2,27-14-11-24-18(21)7-3)28-15-12-25-19(22)8-4/h5-16H2,1-4H3",C19H36O6S3Sn,,,,,,RUCNLZXIXRXWCC-UHFFFAOYSA-K,,,,,,,,,,,
100.061.474,267-642-3,67905-23-1,"2,2-bis(hydroxymethyl)butyl 3-mercaptopropionate","2,2-bis(hydroxymethyl)butyl 3-sulfanylpropanoate",CCC(CO)(CO)COC(=O)CCS,CCC(CO)(CO)COC(=O)CCS,"InChI=1/C9H18O4S/c1-2-9(5-10,6-11)7-13-8(12)3-4-14/h10-11,14H,2-7H2,1H3",C9H18O4S,,,,,,QBVJQXFEWRDCBR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.482,267-651-2,67905-32-2,Tetradecanolate aluminium,aluminum tritetradecan-1-olate,[Al+3].CCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCC[O-],"InChI=1/3C14H29O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h3*2-14H2,1H3;/q3*-1;+3",C14H30O.1/3Al,,,,,,FBTAHIPTXOWATH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.486,267-655-4,67905-36-6,"3,4,5,6-tetrachloro-N-cycloheptylphthalimide","4,5,6,7-tetrachloro-2-cycloheptyl-1H-isoindole-1,3(2H)-dione",Clc1c(Cl)c(Cl)c2C(=O)N(C3CCCCCC3)C(=O)c2c1Cl,Clc1c(Cl)c(Cl)c2C(=O)N(C3CCCCCC3)C(=O)c2c1Cl,"InChI=1/C15H13Cl4NO2/c16-10-8-9(11(17)13(19)12(10)18)15(22)20(14(8)21)7-5-3-1-2-4-6-7/h7H,1-6H2",C15H13Cl4NO2,,,,,,LDTIOTLLBPWEAH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.487,267-657-5,67905-37-7,"3,4,5,6-tetrachloro-N-heptylphthalimide","2-(3,4,5,6-tetrachloroheptyl)-1H-isoindole-1,3(2H)-dione",CC(Cl)C(Cl)C(Cl)C(Cl)CCN1C(=O)c2ccccc2C1=O,CC(Cl)C(Cl)C(Cl)C(Cl)CCN1C(=O)c2ccccc2C1=O,"InChI=1/C15H15Cl4NO2/c1-8(16)12(18)13(19)11(17)6-7-20-14(21)9-4-2-3-5-10(9)15(20)22/h2-5,8,11-13H,6-7H2,1H3",C15H15Cl4NO2,,,,,,SUSXZAVHHYBVLO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.109,240-837-0,16807-60-6,3-methoxycyclohex-2-en-1-one,3-methoxycyclohex-2-en-1-one,COC1=CC(=O)CCC1,COC1=CC(=O)CCC1,"InChI=1/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4H2,1H3",C7H10O2,,,,,,JFTPIEHHCQPVCS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.095,234-217-9,10599-90-3,Chloramide,"N-(2,2,2-trichloro-1-hydroxyethyl)formamide",OC(NC=O)C(Cl)(Cl)Cl,OC(NC=O)C(Cl)(Cl)Cl,"InChI=1/C3H4Cl3NO2/c4-3(5,6)2(9)7-1-8/h1-2,9H,(H,7,8)",ClH2N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11207,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.095,ACZVWYLTJHGUCP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.098,234-221-0,10601-39-5,cis-4-tert-butylcyclohexylmethanol,(4-tert-butylcyclohexyl)methanol,CC(C)(C)C1CCC(CO)CC1,CC(C)(C)C1CCC(CO)CC1,"InChI=1/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3",C11H22O,,,,,,GGWBQKOXLMPNMS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.103,234-226-8,10603-63-1,Tributyl(octanoyloxy)stannane,tributyl(octanoyloxy)stannane,CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C8H16O2.3C4H9.Sn/c1-2-3-4-5-6-7-8(9)10;3*1-3-4-2;/h2-7H2,1H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC20H42O2Sn/c1-5-9-13-14-15-16-20(21)22-23(17-10-6-2,18-11-7-3)19-12-8-4/h5-19H2,1-4H3",C20H42O2Sn,,,,,,IDROVICGMCMYRR-UHFFFAOYSA-M,,,,,,,,,,,
100.031.107,234-231-5,10605-09-1,6-(stearoyloxy)-L-ascorbic acid,"2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl stearate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O,CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O,"InChI=1/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3",C24H42O7,,,,,,LITUBCVUXPBCGA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.108,234-232-0,10605-21-7,Carbendazim,methyl 1H-benzimidazol-2-ylcarbamate,COC(=O)Nc1nc2ccccc2[nH]1,COC(=O)Nc1nc2ccccc2[nH]1,"InChI=1/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)",C9H9N3O2,,,,,,TWFZGCMQGLPBSX-UHFFFAOYSA-N,Positive,SM879201;EQ027801|EQ027802|EQ027803|EQ027804|EQ027805|EQ027806|EQ027807|EQ027808|EQ027809;UF405001|UF405002|UF405003|UF405004,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD55|HCD80|CID35|CID55,160.0505:192.0767:132.0556;192.0767:160.0506:59.0127|160.0505:192.0767:59.0128|160.0505:192.0768:132.0555|160.0505:132.0557:192.0768|160.0505:132.0556:92.0495|160.0505:132.0557:105.0448|105.0448:132.0557:65.0386|65.0386:105.0448:90.0339|65.0386:105.0448:90.0339;160.0504:133.0639|160.0504:133.0633|160.0504|160.0504,CASMI_2016;Eawag;UFZ,,,,,
100.033.549,236-920-6,13547-70-1,"1-chloro-3,3-dimethylbutan-2-one","1-chloro-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)CCl,CC(C)(C)C(=O)CCl,"InChI=1/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3",C6H11ClO,,,,,,ULSAJQMHTGKPIY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.559,236-931-6,13551-87-6,Misonidazole,1-methoxy-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol,COCC(O)Cn1ccnc1[N+](=O)[O-],COCC(O)Cn1ccnc1[N+](=O)[O-],"InChI=1/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3",C7H11N3O4,,,,,,OBBCSXFCDPPXOL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.560,236-932-1,13551-92-3,"3-(2-nitro-1H-imidazol-1-yl)propane-1,2-diol","3-(2-nitro-1H-imidazol-1-yl)propane-1,2-diol",OCC(O)Cn1ccnc1[N+](=O)[O-],OCC(O)Cn1ccnc1[N+](=O)[O-],"InChI=1/C6H9N3O4/c10-4-5(11)3-8-2-1-7-6(8)9(12)13/h1-2,5,10-11H,3-4H2",C6H9N3O4,,,,,,NUGLIYXAARVRPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.563,236-935-8,13552-80-2,"Propane-1,2,3-triyl triundecanoate","propane-1,2,3-triyl triundecanoate",CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC,CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC,"InChI=1/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3",C36H68O6,,,,,,MBXVIRZWSHICAV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.564,236-936-3,13552-96-0,"(E,Z,Z)-trideca-2,4,7-trienal","trideca-2,4,7-trienal",CCCCCC=CCC=CC=CC=O,CCCCCC=CCC=CC=CC=O,"InChI=1/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3",C13H20O,,,,,,BIXIZZVISIZZDM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.566,236-938-4,13553-79-2,"Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-","5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,3,5,7,9,11,13]heptaenoimino)naphtho[2,1-b]furan-21-yl acetate",COC1=C(C)C(=C(C)C(=C(C)C(=C(C)C=CC=C(C)C(=O)NC2=CC(=O)c3c(C2=O)c(O)c(C)c4OC(C)(OC=C1)C(=O)c34)O)O)OC(=O)C,COC1=C(C)C(=C(C)C(=C(C)C(=C(C)C=CC=C(C)C(=O)NC2=CC(=O)c3c(C2=O)c(O)c(C)c4OC(C)(OC=C1)C(=O)c34)O)O)OC(=O)C,"InChI=1/C37H37NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-15,41-43H,1-9H3,(H,38,46)",C37H45NO12,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17133,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.566,WMJMYCRTJMPEGE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.573,236-946-8,13560-49-1,"Thiodiethane-1,2-diyl bis(3-aminobut-2-enoate)","sulfanediyldiethane-2,1-diyl bis(3-aminobut-2-enoate)",CC(=CC(=O)OCCSCCOC(=O)C=C(C)N)N,CC(=CC(=O)OCCSCCOC(=O)C=C(C)N)N,"InChI=1/C12H20N2O4S/c1-9(13)7-11(15)17-3-5-19-6-4-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3",C12H20N2O4S,,,,,,GZVBGWRBVGVPLI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.578,236-952-0,13562-21-5,a-cyclohexyl-a-[2-(diethylamino)ethyl]benzyl alcohol hydrochloride,1-cyclohexyl-3-(diethylamino)-1-phenylpropan-1-ol hydrochloride,Cl.CCN(CC)CCC(O)(C1CCCCC1)c2ccccc2,Cl.CCN(CC)CCC(O)(C1CCCCC1)c2ccccc2,"InChI=1/C19H31NO.ClH/c1-3-20(4-2)16-15-19(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18,21H,3-4,6,9-10,13-16H2,1-2H3;1H",C19H31NO.ClH,,,,,,IZTHVPMGJIGDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.579,236-953-6,13562-84-0,Hexyl acetoacetate,hexyl 3-oxobutanoate,CCCCCCOC(=O)CC(=O)C,CCCCCCOC(=O)CC(=O)C,"InChI=1/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h3-8H2,1-2H3",C10H18O3,,,,,,QNZLAXONNWOLJY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.546,261-120-9,58101-30-7,5-azido-2-[(4-methoxyphenyl)amino]benzoic acid,5-azido-2-[(4-methoxyphenyl)amino]benzoic acid,COc1ccc(Nc2ccc(cc2C(=O)O)N=[N+]=[N-])cc1,COc1ccc(Nc2ccc(cc2C(=O)O)N=[N+]=[N-])cc1,"InChI=1/C14H12N4O3/c1-21-11-5-2-9(3-6-11)16-13-7-4-10(17-18-15)8-12(13)14(19)20/h2-8,16H,1H3,(H,19,20)",C14H12N4O3,,,,,,PESQASIOCQOBEK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.467,263-233-9,61800-40-6,2-ethylhexyl 12-(acetoxy)octadecanoate,2-ethylhexyl 12-acetoxyoctadecanoate,CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CCCC)OC(=O)C,CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CCCC)OC(=O)C,"InChI=1/C28H54O4/c1-5-8-10-17-21-27(32-25(4)29)22-18-15-13-11-12-14-16-19-23-28(30)31-24-26(7-3)20-9-6-2/h26-27H,5-24H2,1-4H3",C28H54O4,,,,,,DDGZCTKMHAYRKN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.469,263-236-5,61810-04-6,Manganese(2+) heptanoate,manganese(2+) diheptanoate,[Mn+2].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],[Mn+2].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],"InChI=1/2C7H14O2.Mn/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2",C7H14O2.1/2Mn,,,,,,NJUDPVIWMUMPLJ-UHFFFAOYSA-L,,,,,,,,,,,
100.057.470,263-237-0,61810-55-7,Phenethyl decanoate,2-phenylethyl decanoate,CCCCCCCCCC(=O)OCCc1ccccc1,CCCCCCCCCC(=O)OCCc1ccccc1,"InChI=1/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3",C18H28O2,,,,,,DDMQLUJPAGWJOB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.474,263-241-2,61813-45-4,2-(4-nitrophenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid,2-(4-nitrophenyl)-1-octadecyl-1H-benzimidazole-5-sulfonic acid,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(cc3)[N+](=O)[O-],CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(cc3)[N+](=O)[O-],"InChI=1/C31H45N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-30-23-22-28(40(37,38)39)25-29(30)32-31(33)26-18-20-27(21-19-26)34(35)36/h18-23,25H,2-17,24H2,1H3,(H,37,38,39)",C31H45N3O5S,,,,,,IKTATFPKRSYODN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.476,263-243-3,61813-49-8,"2,5-dibutoxy-4-(morpholin-4-yl)benzenediazonium hydrogen sulphate","2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium hydrogen sulfate",CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-]S(=O)(=O)[O-],CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/C18H28N3O3.H2O4S/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;1-5(2,3)4/h13-14H,3-12H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2",C18H28N3O3.HO4S,,,,,,MPZBCLQOOAHAPQ-UHFFFAOYSA-L,,,,,,,,,,,
100.057.484,263-252-2,61826-54-8,"(2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8-carbaldehyde","1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalene-8-carbaldehyde",CC1(C)CCC(=C2C(C)(C)[C@H]3CCC12C3)C=O,CC1(C)CCC(=C2C(C)(C)[C@H]3CCC12C3)C=O,"InChI=1/C16H24O/c1-14(2)7-5-11(10-17)13-15(3,4)12-6-8-16(13,14)9-12/h10,12H,5-9H2,1-4H3",C16H24O,,,,,,VXQBLEIANTXQDP-HKALDPMFSA-N,,,,,,,,,,,
100.057.487,263-255-9,61827-62-1,Hexyl octyl phthalate,hexyl octyl phthalate,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,"InChI=1/C22H34O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3",C22H34O4,,,,,,LZCTXAGBGKLUBX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.494,263-263-2,61827-73-4,2-[(2-amino-5-hydroxy-7-sulpho-1-naphthyl)azo]-5-nitrobenzoic acid,2-[(2-amino-5-hydroxy-7-sulfo-1-naphthyl)diazenyl]-5-nitrobenzoic acid,[O-][N+](=O)c3ccc(N=Nc2c(N)ccc1c2cc(cc1O)S(O)(=O)=O)c(c3)C(O)=O,[O-][N+](=O)c3ccc(N=Nc2c(N)ccc1c2cc(cc1O)S(O)(=O)=O)c(c3)C(O)=O,"InChI=1/C17H12N4O8S/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24/h1-7,22H,18H2,(H,23,24)(H,27,28,29)",C17H12N4O8S,,,,,,IDBOAWWVNVRVHH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.971,262-688-0,61290-31-1,Lithium 3-[[4-[[4-(2-hydroxybutoxy)phenyl]azo]-5-methoxy-2-methylphenyl]azo]benzenesulphonate,lithium 3-[(4-{[4-(2-hydroxybutoxy)phenyl]diazenyl}-5-methoxy-2-methylphenyl)diazenyl]benzenesulfonate,[Li+].COc3cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(OCC(O)CC)cc2,[Li+].COc3cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(OCC(O)CC)cc2,"InChI=1/C24H26N4O6S.Li/c1-4-19(29)15-34-20-10-8-17(9-11-20)25-28-23-12-16(2)22(14-24(23)33-3)27-26-18-6-5-7-21(13-18)35(30,31)32;/h5-14,19,29H,4,15H2,1-3H3,(H,30,31,32);/q;+1/p-1",C24H26N4O6S.Li,,,,,,BINUNLRKNMJFHG-UHFFFAOYSA-M,,,,,,,,,,,
100.056.976,262-693-8,61295-52-1,3-chloroheptan-4-one,3-chloroheptan-4-one,CCCC(=O)C(Cl)CC,CCCC(=O)C(Cl)CC,"InChI=1/C7H13ClO/c1-3-5-7(9)6(8)4-2/h6H,3-5H2,1-2H3",C7H13ClO,,,,,,ONHHYBUXHMRHFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.990,262-709-3,61323-24-8,2-isobutyl-4-methylthiazole,"2-isobutyl-4-methyl-1,3-thiazole",CC(C)Cc1nc(C)cs1,CC(C)Cc1nc(C)cs1,"InChI=1/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3",C8H13NS,,,,,,JBUCYVMFLWLDIO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.997,262-717-7,61339-37-5,"17-bromo-6ß,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione","17-bromo-6,9-difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)CO,"InChI=1/C22H27BrF2O4/c1-11-6-13-14-8-16(24)15-7-12(27)4-5-19(15,2)22(14,25)17(28)9-20(13,3)21(11,23)18(29)10-26/h4-5,7,11,13-14,16-17,26,28H,6,8-10H2,1-3H3",C22H27BrF2O4,,,,,,VTFJMRXTPUUIRK-QODHSQIYSA-N,,,,,,,,,,,
100.030.628,233-704-3,10320-97-5,"N-naphthyl-1,2,3,4-thiatriazol-5-amine","N-1-naphthyl-1,2,3,4-thiatriazol-5-amine",N(c1cccc2ccccc12)c3nnns3,N(c1cccc2ccccc12)c3nnns3,"InChI=1/C11H8N4S/c1-2-6-9-8(4-1)5-3-7-10(9)12-11-13-14-15-16-11/h1-7H,(H,12,13,15)",C11H8N4S,,,,,,NRPSYMDXSNYVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.630,233-706-4,10321-71-8,4-methylpent-2-en-1-oic acid,4-methylpent-2-enoic acid,CC(C)C=CC(O)=O,CC(C)C=CC(O)=O,"InChI=1/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)",C6H10O2,,,,,,QAOXMQCWUWZZNC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.639,233-716-9,10329-60-9,Dioxifedrine,"4-[1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol",CNC(C)C(O)c1ccc(O)c(O)c1,CNC(C)C(O)c1ccc(O)c(O)c1,"InChI=1/C10H15NO3/c1-6(11-2)10(14)7-3-4-8(12)9(13)5-7/h3-6,10-14H,1-2H3",C10H15NO3,,,,,,DDBFLXGTCAVAFD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.644,233-722-1,10332-31-7,"3-hydroxy-2,2-bis(hydroxymethyl)propyl laurate","3-hydroxy-2,2-bis(hydroxymethyl)propyl laurate",CCCCCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-16(21)22-15-17(12-18,13-19)14-20/h18-20H,2-15H2,1H3",C17H34O5,,,,,,ZJLATTXAOOPYRU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.645,233-723-7,10332-32-8,"3-hydroxy-2,2-bis(hydroxymethyl)propyl oleate","3-hydroxy-2,2-bis(hydroxymethyl)propyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C23H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h9-10,24-26H,2-8,11-21H2,1H3",C23H44O5,,,,,,QQVGEJLUEOSDBB-KTKRTIGZSA-N,,,,,,,,,,,
100.030.646,233-724-2,10332-48-6,2-propoxyethyl bromoacetate,2-propoxyethyl bromoacetate,CCCOCCOC(=O)CBr,CCCOCCOC(=O)CBr,"InChI=1/C7H13BrO3/c1-2-3-10-4-5-11-7(9)6-8/h2-6H2,1H3",C7H13BrO3,,,,,,CKPISSPGMGLMTN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.774,241-568-1,17598-65-1,Deslanoside,"3-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5,"InChI=1/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3",C47H74O19,,,,,,OBATZBGFDSVCJD-LALPQLPRSA-N,,,,,,,,,,,
100.037.789,241-584-9,17609-82-4,4-diethylaminophenol,4-(diethylamino)phenol,CCN(CC)c1ccc(O)cc1,CCN(CC)c1ccc(O)cc1,"InChI=1/C10H15NO/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5-8,12H,3-4H2,1-2H3",C10H15NO,,,,,,INDIALLCZKIHFF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.791,241-587-5,17611-82-4,Ethylsuccinonitrile,2-ethylsuccinonitrile,CCC(CC#N)C#N,CCC(CC#N)C#N,"InChI=1/C6H8N2/c1-2-6(5-8)3-4-7/h6H,2-3H2,1H3",C6H8N2,,,,,,GDCJAPJJFZWILF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.792,241-588-0,17612-57-6,"1,1'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bisanthraquinone","1,1'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]di(9,10-anthraquinone)",Clc1nc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)n1,Clc1nc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)n1,"InChI=1/C31H16ClN5O4/c32-29-35-30(33-21-13-5-11-19-23(21)27(40)17-9-3-1-7-15(17)25(19)38)37-31(36-29)34-22-14-6-12-20-24(22)28(41)18-10-4-2-8-16(18)26(20)39/h1-14H,(H2,33,34,35,36,37)",C31H16ClN5O4,,,,,,KHPBJIXNYDHOLY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.796,241-592-2,17618-27-8,"O,O-bis(2-ethylhexyl) hydrogen thiophosphate","O,O-bis(2-ethylhexyl) hydrogen thiophosphate",CCCCC(CC)COP(=O)(S)OCC(CC)CCCC,CCCCC(CC)COP(=O)(S)OCC(CC)CCCC,"InChI=1/C16H35O3PS/c1-5-9-11-15(7-3)13-18-20(17,21)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,21)",C16H35O3PS,,,,,,TVRJUOAQXLUUGW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.806,241-604-6,17626-34-5,"2,2'-[[2-(2-hydroxyethoxy)ethyl]imino]bisethanol","2,2'-{[2-(2-hydroxyethoxy)ethyl]imino}diethanol",OCCOCCN(CCO)CCO,OCCOCCN(CCO)CCO,"InChI=1/C8H19NO4/c10-4-1-9(2-5-11)3-7-13-8-6-12/h10-12H,1-8H2",C8H19NO4,,,,,,JIQBWPFLOVGXMI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.814,241-613-5,17630-08-9,"3-hydroxy-2,2-bis(hydroxymethyl)propyl palmitate","3-hydroxy-2,2-bis(hydroxymethyl)propyl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)26-19-21(16-22,17-23)18-24/h22-24H,2-19H2,1H3",C21H42O5,,,,,,VURIDHCIBBJUDI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.815,241-614-0,17630-76-1,"5-chloro-1H-indole-2,3-dione","5-chloro-1H-indole-2,3-dione",Clc1ccc2NC(=O)C(=O)c2c1,Clc1ccc2NC(=O)C(=O)c2c1,"InChI=1/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)",C8H4ClNO2,,,,,,XHDJYQWGFIBCEP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.064,238-587-2,14548-48-2,4-(4'-chlorobenzoyl)pyridine,(4-chlorophenyl)(pyridin-4-yl)methanone,Clc1ccc(cc1)C(=O)c2ccncc2,Clc1ccc(cc1)C(=O)c2ccncc2,InChI=1/C12H8ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H,C12H8ClNO,,,,,,YMTFKKLFLLAFNI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.493,267-663-8,67905-43-5,"2-butyne-1,4-diyl bismethacrylate","but-2-yne-1,4-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCC#CCOC(=O)C(=C)C,CC(=C)C(=O)OCC#CCOC(=O)C(=C)C,"InChI=1/C12H14O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,7-8H2,2,4H3",C12H14O4,,,,,,LFWWWRPUVDIHKC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.494,267-664-3,67905-44-6,2-methoxybutyl methacrylate,2-methoxybutyl methacrylate,CCC(COC(=O)C(=C)C)OC,CCC(COC(=O)C(=C)C)OC,"InChI=1/C9H16O3/c1-5-8(11-4)6-12-9(10)7(2)3/h8H,2,5-6H2,1,3-4H3",C9H16O3,,,,,,VWJAVBOLCVPIAK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.495,267-665-9,67905-45-7,2-methylheptyl methacrylate,2-methylheptyl methacrylate,CCCCCC(C)COC(=O)C(=C)C,CCCCCC(C)COC(=O)C(=C)C,"InChI=1/C12H22O2/c1-5-6-7-8-11(4)9-14-12(13)10(2)3/h11H,2,5-9H2,1,3-4H3",C12H22O2,,,,,,ALRPDSUGJFZMFG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.496,267-666-4,67905-46-8,2-methyloctyl methacrylate,2-methyloctyl methacrylate,CCCCCCC(C)COC(=O)C(=C)C,CCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C13H24O2/c1-5-6-7-8-9-12(4)10-15-13(14)11(2)3/h12H,2,5-10H2,1,3-4H3",C13H24O2,,,,,,MBKJMZOZZHUVLO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.497,267-668-5,67905-47-9,2-(dimethylphosphino)ethyl methacrylate,2-(dimethylphosphino)ethyl methacrylate,CP(C)CCOC(=O)C(=C)C,CP(C)CCOC(=O)C(=C)C,"InChI=1/C8H15O2P/c1-7(2)8(9)10-5-6-11(3)4/h1,5-6H2,2-4H3",C8H15O2P,,,,,,BYGSYDXJMRSMSS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.438,263-201-4,61791-77-3,"6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium methyl sulphate","6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium methyl sulfate",COS(=O)(=O)[O-].CN(C)c1ccc2c(ccc(\\C=C\\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,COS(=O)(=O)[O-].CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,"InChI=1/C26H28N3.CH4O4S/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;1-5-6(2,3)4/h6-18H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C26H28N3.CH3O4S,,,,,,WFRQCOKYLNHLRB-UHFFFAOYSA-M,,,,,,,,,,,
100.057.441,263-205-6,61791-80-8,"N,N'-[(9,10-dihydro-9,10-dioxoanthracene-1,4-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)","N,N'-{(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]}dibenzamide",O=C(Nc1cccc2C(=O)c3c(Nc4ccc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)c9C(=O)c%10ccccc%10C(=O)c49)cccc3C(=O)c12)c%11ccccc%11,O=C(Nc1cccc2C(=O)c3c(Nc4ccc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)c9C(=O)c%10ccccc%10C(=O)c49)cccc3C(=O)c12)c%11ccccc%11,"InChI=1/C56H32N4O8/c61-49-31-17-7-8-18-32(31)50(62)48-42(58-38-24-10-20-34-44(38)52(64)36-22-12-26-40(46(36)54(34)66)60-56(68)30-15-5-2-6-16-30)28-27-41(47(48)49)57-37-23-9-19-33-43(37)51(63)35-21-11-25-39(45(35)53(33)65)59-55(67)29-13-3-1-4-14-29/h1-28,57-58H,(H,59,67)(H,60,68)",C56H32N4O8,,,,,,LRYVEFGQDRLDPG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.447,263-211-9,61792-06-1,[(2-hydroxyethyl)amino]phenylmercury acetate,[2-(amino-kappaN)ethyl acetatato](phenyl)mercury,CC(=O)OCCN[Hg]c1ccccc1,CC(=O)OCCN[Hg]c1ccccc1,"InChI=1/C6H5.C4H8NO2.Hg/c1-2-4-6-5-3-1;1-4(6)7-3-2-5;/h1-5H;5H,2-3H2,1H3;/q;-1;+1/rC10H13HgNO2/c1-9(13)14-8-7-12-11-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3",C10H13HgNO2,,,,,,JKDGLOZFFSHVDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.933,262-646-1,61189-88-6,"4-(p-chlorobenzyl)-6,7-dimethoxyisoquinolinium methanesulphonate","4-(4-chlorobenzyl)-6,7-dimethoxyisoquinolinium methanesulfonate",COc1cc2c[nH+]cc(Cc3ccc(Cl)cc3)c2cc1OC.CS(=O)(=O)[O-],COc1cc2c[nH+]cc(Cc3ccc(Cl)cc3)c2cc1OC.CS(=O)(=O)[O-],"InChI=1/C18H16ClNO2.CH4O3S/c1-21-17-8-14-11-20-10-13(16(14)9-18(17)22-2)7-12-3-5-15(19)6-4-12;1-5(2,3)4/h3-6,8-11H,7H2,1-2H3;1H3,(H,2,3,4)",C18H16ClNO2.CH4O3S,,,,,,XQCSXUJTPZFYTN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.944,262-658-7,61204-03-3,trans-4-(4-heptylcyclohexyl)benzonitrile,4-(4-heptylcyclohexyl)benzonitrile,CCCCCCCC1CCC(CC1)c2ccc(cc2)C#N,CCCCCCCC1CCC(CC1)c2ccc(cc2)C#N,"InChI=1/C20H29N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h10-11,14-15,17,19H,2-9,12-13H2,1H3",C20H29N,,,,,,NSGMZTNTQKRAFA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.946,262-660-8,61211-10-7,"Sodium 1,4-bis(trimethylhexyl) sulphonatosuccinate","sodium 1,4-dioxo-1,4-bis[(1,1,2-trimethylhexyl)oxy]butane-2-sulfonate",[Na+].CCCCC(C)C(C)(C)OC(=O)CC(C(=O)OC(C)(C)C(C)CCCC)S(=O)(=O)[O-],[Na+].CCCCC(C)C(C)(C)OC(=O)CC(C(=O)OC(C)(C)C(C)CCCC)S(=O)(=O)[O-],"InChI=1/C22H42O7S.Na/c1-9-11-13-16(3)21(5,6)28-19(23)15-18(30(25,26)27)20(24)29-22(7,8)17(4)14-12-10-2;/h16-18H,9-15H2,1-8H3,(H,25,26,27);/q;+1/p-1",C22H42O7S.Na,,,,,,OKDUCDYDOORLLB-UHFFFAOYSA-M,,,,,,,,,,,
100.056.955,262-670-2,61220-37-9,"N-[1-benzylpiperidin-4-yl]propane-1,3-diamine","N-(1-benzylpiperidin-4-yl)propane-1,3-diamine",NCCCNC1CCN(Cc2ccccc2)CC1,NCCCNC1CCN(Cc2ccccc2)CC1,"InChI=1/C15H25N3/c16-9-4-10-17-15-7-11-18(12-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13,16H2",C15H25N3,,,,,,KXYFFNDOPAVXHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.956,262-671-8,61240-37-7,Sodium 1-aminonaphthalene-2-sulphonate,sodium 1-aminonaphthalene-2-sulfonate,[Na+].Nc1c(ccc2ccccc12)S(=O)(=O)[O-],[Na+].Nc1c(ccc2ccccc12)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,UTEKQAXKLLQOHW-UHFFFAOYSA-M,,,,,,,,,,,
100.041.114,245-241-4,22812-90-4,2-(propylthio)ethanol,2-(propylsulfanyl)ethanol,CCCSCCO,CCCSCCO,"InChI=1/C5H12OS/c1-2-4-7-5-3-6/h6H,2-5H2,1H3",C5H12OS,,,,,,KCWWXXYQPUDKBX-UHFFFAOYSA-N,,,,,,,,,,,
100.041.116,245-244-0,22813-58-7,"4-chloro-N,N-dimethylbutyramide","4-chloro-N,N-dimethylbutanamide",CN(C)C(=O)CCCCl,CN(C)C(=O)CCCCl,"InChI=1/C6H12ClNO/c1-8(2)6(9)4-3-5-7/h3-5H2,1-2H3",C6H12ClNO,,,,,,FYVXMHXMWHEEHI-UHFFFAOYSA-N,,,,,,,,,,,
100.041.119,245-247-7,22818-40-2,D-N-(4-hydroxyphenyl)glycine,N-(4-hydroxyphenyl)glycine,OC(=O)CNc1ccc(O)cc1,OC(=O)CNc1ccc(O)cc1,"InChI=1/C8H9NO3/c10-7-3-1-6(2-4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12)",C8H9NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10628,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.119,WRUZLCLJULHLEY-UHFFFAOYSA-N,,,,,,,,,,,
100.041.123,245-251-9,22823-50-3,"N-[(tert-butoxy)carbonyl]-L-methionine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-L-methionine - N-cyclohexylcyclohexanamine (1:1),CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C10H19NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h11-13H,1-10H2;7H,5-6H2,1-4H3,(H,11,14)(H,12,13)",C12H23N.C10H19NO4S,,,,,,SKDIPRMGDVUUQO-ZLTKDMPESA-N,,,,,,,,,,,
100.042.751,247-042-8,25497-30-7,Dibromotetrafluoroethane,"1,1-dibromo-1,2,2,2-tetrafluoroethane",FC(F)(F)C(F)(Br)Br,FC(F)(F)C(F)(Br)Br,"InChI=1/C2Br2F4/c3-1(4,5)2(6,7)8",C2Br2F4,,,,,,JLGADZLAECENGR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.761,247-053-8,25509-07-3,Cloroqualone,"3-(2,6-dichlorophenyl)-2-ethylquinazolin-4(3H)-one",CCC1=Nc2ccccc2C(=O)N1c3c(Cl)cccc3Cl,CCC1=Nc2ccccc2C(=O)N1c3c(Cl)cccc3Cl,"InChI=1/C16H12Cl2N2O/c1-2-14-19-13-9-4-3-6-10(13)16(21)20(14)15-11(17)7-5-8-12(15)18/h3-9H,2H2,1H3",C16H12Cl2N2O,,,,,,SONHVLIDLXLSOL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.763,247-055-9,25510-81-0,3-[ethyl[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile,"3-(ethyl{4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile",CCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O,CCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O,"InChI=1/C18H16N6O2S/c1-2-23(11-3-10-19)14-6-4-13(5-7-14)21-22-18-20-16-9-8-15(24(25)26)12-17(16)27-18/h4-9,12H,2-3,11H2,1H3",C18H16N6O2S,,,,,,PWUVCFDFTBWAFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.777,247-071-6,25522-33-2,(E)-3'-hydroxy-4'-methoxycinnamic acid,3-(3-hydroxy-4-methoxyphenyl)acrylic acid,COc1ccc(C=CC(=O)O)cc1O,COc1ccc(C=CC(=O)O)cc1O,"InChI=1/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",C10H10O4,,,,,,QURCVMIEKCOAJU-UHFFFAOYSA-N,,,,,,,,,,,
100.042.780,247-074-2,25524-95-2,(Z)-tetrahydro-6-(2-pentenyl)-2H-pyran-2-one,6-pent-2-en-1-yltetrahydro-2H-pyran-2-one,CC\\C=C/CC1CCCC(=O)O1,CC\C=C/CC1CCCC(=O)O1,"InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3",C10H16O2,,,,,,XPPALVZZCMPTIV-ARJAWSKDSA-N,,,,,,,,,,,
100.032.132,235-358-9,12187-43-8,"Cobalt, compound with neodymium (3:1)",cobalt - neodymium (3:1),[Co].[Co].[Co].[Nd],[Co].[Co].[Co].[Nd],InChI=1/3Co.Nd/q3*+2;+3,Co.Nd,,,,,,JFWGBTIDZSXHQR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.164,235-394-5,12214-13-0,"Cerium, compound with cobalt (1:5)",cerium - cobalt (1:5),[Co].[Co].[Co].[Co].[Co].[Ce],[Co].[Co].[Co].[Co].[Co].[Ce],InChI=1/Ce.5Co/q+3;5*+2,Ce.Co,,,,,,KFVLFWWLSIOANK-UHFFFAOYSA-N,,,,,,,,,,,
100.032.167,235-397-1,12217-38-8,"Sodium 2,5-dichloro-4-[4-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-[4-({2-[ethyl(phenyl)sulfamoyl]phenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O,[Na+].CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O,"InChI=1/C24H21Cl2N5O6S2.Na/c1-3-30(16-9-5-4-6-10-16)38(33,34)21-12-8-7-11-19(21)27-28-23-15(2)29-31(24(23)32)20-13-18(26)22(14-17(20)25)39(35,36)37;/h4-14,23H,3H2,1-2H3,(H,35,36,37);/q;+1/p-1",C24H21Cl2N5O6S2.Na,,,,,,QHIQXLZTEFYFMR-UHFFFAOYSA-M,,,,,,,,,,,
100.032.169,235-399-2,12217-48-0,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,[Cl-].CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C23H26N3.ClH/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;/h5-6,8-15H,7,17H2,1-4H3;1H/q+1;/p-1",C23H26N3.Cl,,,,,,NJIRSTSECXKPCO-UHFFFAOYSA-M,,,,,,,,,,,
100.032.171,235-401-1,12217-79-7,"1,5-diaminochloro-4,8-dihydroxyanthraquinone","1,5-diamino-2-chloro-4,8-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)c(Cl)cc(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(N)c(Cl)cc(O)c3C(=O)c12,"InChI=1/C14H9ClN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2",C14H9ClN2O4,,,,,,SIRMWLMEYFPGAD-UHFFFAOYSA-N,,,,,,,,,,,
100.031.271,234-412-9,12002-26-5,"Silicic acid, methyl ester",methoxy(oxo)silanol,CO[Si](=O)O,CO[Si](=O)O,"InChI=1/CH4O3Si/c1-4-5(2)3/h2H,1H3",-,,,,,,LZCGXIDLIBLGTF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.999,262-719-8,61339-39-7,"20,21-dihydroxy-16a-methylpregna-1,4,9(11),17(20)-tetraen-3-one 20,21-di(acetate)","16-methyl-3-oxopregna-1,4,9(11),17-tetraene-20,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)/C/1=C(/COC(=O)C)\\OC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)/C/1=C(/COC(=O)C)\OC(=O)C,"InChI=1/C26H32O5/c1-15-12-22-20-7-6-18-13-19(29)8-10-25(18,4)21(20)9-11-26(22,5)24(15)23(31-17(3)28)14-30-16(2)27/h8-10,13,15,20,22H,6-7,11-12,14H2,1-5H3",C26H32O5,,,,,,SVJQVOVYCQLQQV-SUXGMLIISA-N,,,,,,,,,,,
100.058.629,264-511-2,63843-22-1,3-(4-pyridyl)cyclohex-2-en-1-one oxime,3-pyridin-4-ylcyclohex-2-en-1-one oxime,ON=C1\\C=C(/CCC1)c2ccncc2,ON=C1\C=C(/CCC1)c2ccncc2,"InChI=1/C11H12N2O/c14-13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h4-8,14H,1-3H2",C11H12N2O,,,,,,XZJNKMZDJMQHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.635,264-518-0,63863-43-4,"Methyl 3-[1-[difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropionate","methyl 3-(1-{difluoro[(trifluorovinyl)oxy]methyl}-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoropropanoate",COC(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=C(F)F)F,COC(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=C(F)F)F,"InChI=1/C9H3F13O4/c1-24-4(23)5(13,14)8(19,20)26-6(15,7(16,17)18)9(21,22)25-3(12)2(10)11/h1H3",C9H3F13O4,,,,,,OVAULROCPRKKJF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.637,264-520-1,63869-93-2,"2-[(1,1,3,3-tetramethylbutyl)phenoxy]ethanol","2-[2-(1,1,3,3-tetramethylbutyl)phenoxy]ethanol",CC(C)(C)CC(C)(C)c1ccccc1OCCO,CC(C)(C)CC(C)(C)c1ccccc1OCCO,"InChI=1/C16H26O2/c1-15(2,3)12-16(4,5)13-8-6-7-9-14(13)18-11-10-17/h6-9,17H,10-12H2,1-5H3",C16H26O2,,,,,,IDOQDZANRZQBTP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.638,264-521-7,63870-02-0,"2-methyl-1,5-benzothiazepin-4(5H)-one","2-methyl-1,5-benzothiazepin-4(5H)-one",CC1=CC(=O)Nc2ccccc2S1,CC1=CC(=O)Nc2ccccc2S1,"InChI=1/C10H9NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)",C10H9NOS,,,,,,XMCREDZXYDRQBF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.538,266-612-7,67227-57-0,"6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(p-hydroxyphenyl)-1H-3-benzazepinium methanesulphonate","6-chloro-7,8-dihydroxy-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium methanesulfonate",CS(=O)(=O)[O-].Oc1ccc(cc1)C2C[NH2+]CCc3c(Cl)c(O)c(O)cc23,CS(=O)(=O)[O-].Oc1ccc(cc1)C2C[NH2+]CCc3c(Cl)c(O)c(O)cc23,"InChI=1/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)",C16H16ClNO3.CH4O3S,,,,,,CVKUMNRCIJMVAR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.550,266-625-8,67253-41-2,"(1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate",CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)C=C,CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)C=C,"InChI=1/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3",C13H20O2,,,,,,PSGCQDPCAWOCSH-OPQQBVKSSA-N,,,,,,,,,,,
100.060.553,266-628-4,67274-11-7,"1-methylpropane-1,3-diyl bis(3-aminobut-2-enoate)","butane-1,3-diyl bis(3-aminobut-2-enoate)",O=C(OCCC(C)OC(=O)C=C(C)N)C=C(C)N,O=C(OCCC(C)OC(=O)C=C(C)N)C=C(C)N,"InChI=1/C12H20N2O4/c1-8(13)6-11(15)17-5-4-10(3)18-12(16)7-9(2)14/h6-7,10H,4-5,13-14H2,1-3H3",C12H20N2O4,,,,,,MDAYOTNXXTVAMM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.567,266-644-1,67329-11-7,3-chloro-2-(chloromethyl)-2-methylpropionic acid,3-chloro-2-(chloromethyl)-2-methylpropanoic acid,CC(CCl)(CCl)C(=O)O,CC(CCl)(CCl)C(=O)O,"InChI=1/C5H8Cl2O2/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3,(H,8,9)",C5H8Cl2O2,,,,,,DDSPBKFTRPWDLI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.569,266-646-2,67332-90-5,"2-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid","2-{[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonic acid",OS(=O)(=O)c3c4ccccc4ccc3N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1Cl)S(O)(=O)=O)C2=O,OS(=O)(=O)c3c4ccccc4ccc3N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S(O)(=O)=O)C2=O,"InChI=1/C20H14Cl2N4O7S2/c1-10-18(20(27)26(25-10)16-8-14(22)17(9-13(16)21)34(28,29)30)24-23-15-7-6-11-4-2-3-5-12(11)19(15)35(31,32)33/h2-9,18H,1H3,(H,28,29,30)(H,31,32,33)",C20H14Cl2N4O7S2,,,,,,VCGAKRQDKWIYGA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.550,261-125-6,58104-38-4,"N-methyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]benzylamine","N-benzyl-N-methyl-4-(4H-1,2,4-triazol-3-yldiazenyl)aniline",CN(Cc1ccccc1)c2ccc(cc2)N=Nc3ncnn3,CN(Cc1ccccc1)c2ccc(cc2)N=Nc3ncnn3,"InChI=1/C16H16N6/c1-22(11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-21-16-17-12-18-20-16/h2-10,12H,11H2,1H3,(H,17,18,20)",C16H16N6,,,,,,FZGDYRXFIQRRDI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.552,261-127-7,58104-49-7,3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl][2-(2-cyanoethoxy)ethyl]amino]propiononitrile,3-({4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}[2-(2-cyanoethoxy)ethyl]amino)propanenitrile,Clc2cc(ccc2N=Nc1ccc(cc1)N(CCC#N)CCOCCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CCC#N)CCOCCC#N)[N+]([O-])=O,"InChI=1/C20H19ClN6O3/c21-19-15-18(27(28)29)7-8-20(19)25-24-16-3-5-17(6-4-16)26(11-1-9-22)12-14-30-13-2-10-23/h3-8,15H,1-2,11-14H2",C20H19ClN6O3,,,,,,FWUINTWYWXWQKA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.557,261-132-4,58109-32-3,"2',3-dimethyl[1,1'-biphenyl]-4-amine hydrochloride","2',3-dimethylbiphenyl-4-amine hydrochloride",Cl.Cc1ccccc1c2ccc(N)c(C)c2,Cl.Cc1ccccc1c2ccc(N)c(C)c2,"InChI=1/C14H15N.ClH/c1-10-5-3-4-6-13(10)12-7-8-14(15)11(2)9-12;/h3-9H,15H2,1-2H3;1H",C14H15N.ClH,,,,,,LKINQJGXXOXEFC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.075,238-599-8,14552-81-9,"Disodium hydrogen 4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","disodium hydrogen 4-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4cc(N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(cc4)S([O-])(=O)=O,[H+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4cc(N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(cc4)S([O-])(=O)=O,"InChI=1/C19H12Cl2N8O9S2.2Na.H2/c20-17-23-18(21)25-19(24-17)22-8-1-6-12(40(36,37)38)11(7-8)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;1H/q;3*+1/p-3",C19H12Cl2N8O9S2.2Na,,,,,,IJWSYYJWKIXBGI-UHFFFAOYSA-L,,,,,,,,,,,
100.035.078,238-602-2,14556-98-0,4-chloro-5-sulphamoylsalicylic acid,4-chloro-2-hydroxy-5-sulfamoylbenzoic acid,NS(=O)(=O)c1cc(C(=O)O)c(O)cc1Cl,NS(=O)(=O)c1cc(C(=O)O)c(O)cc1Cl,"InChI=1/C7H6ClNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2,10H,(H,11,12)(H2,9,13,14)",C7H6ClNO5S,,,,,,FHNZKRYMWHCXME-UHFFFAOYSA-N,,,,,,,,,,,
100.035.086,238-611-1,14569-54-1,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-chlorophenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-chlorophenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3Cl)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3Cl)c(Cl)c4,"InChI=1/C32H24Cl4N6O4/c1-17(43)29(31(45)37-25-9-5-3-7-21(25)33)41-39-27-13-11-19(15-23(27)35)20-12-14-28(24(36)16-20)40-42-30(18(2)44)32(46)38-26-10-6-4-8-22(26)34/h3-16,29-30H,1-2H3,(H,37,45)(H,38,46)",C32H24Cl4N6O4,,,,,,KPSPKGJSHVSNQT-UHFFFAOYSA-N,,,,,,,,,,,
100.035.096,238-622-1,14579-91-0,Bis(chloromethyldimethylsilanyl)amine,"1-(chloromethyl)-N-[(chloromethyl)(dimethyl)silyl]-1,1-dimethylsilanamine",C[Si](C)(CCl)N[Si](C)(C)CCl,C[Si](C)(CCl)N[Si](C)(C)CCl,"InChI=1/C6H17Cl2NSi2/c1-10(2,5-7)9-11(3,4)6-8/h9H,5-6H2,1-4H3",C6H17Cl2NSi2,,,,,,SXSNZRHGAMVNJE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.098,238-624-2,14581-21-6,(4-chlorophenyl)hydrazinium sulphate (2:1),bis[(4-chlorophenyl)diazanium] sulfate,N[NH2+]c1ccc(Cl)cc1.N[NH2+]c2ccc(Cl)cc2.[O-]S(=O)(=O)[O-],N[NH2+]c1ccc(Cl)cc1.N[NH2+]c2ccc(Cl)cc2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H7ClN2.H2O4S/c2*7-5-1-3-6(9-8)4-2-5;1-5(2,3)4/h2*1-4,9H,8H2;(H2,1,2,3,4)",C6H7ClN2.1/2H2O4S,,,,,,TUHGNSPTNVPHDK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.099,238-625-8,14582-18-4,Cobalt dipalmitate,cobalt(2+) dihexadecanoate,[Co+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Co+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Co,,,,,,SSWSYWBRGQINON-UHFFFAOYSA-L,,,,,,,,,,,
100.035.107,238-634-7,14590-19-3,Cobalt(2+) selenate,cobalt(2+) selenate,[Co+2].[O-][Se](=O)(=O)[O-],[Co+2].[O-][Se](=O)(=O)[O-],"InChI=1/Co.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Co.H2O4Se,,,,,,ATORBMMJNYFMAK-UHFFFAOYSA-L,,,,,,,,,,,
100.034.679,238-164-2,14271-99-9,Lithium pivalate,lithium pivalate,[Li+].CC(C)(C)C(=O)[O-],[Li+].CC(C)(C)C(=O)[O-],"InChI=1/C5H10O2.Li/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1",C5H10O2.Li,,,,,,MMBKOHVRHFSAJP-UHFFFAOYSA-M,,,,,,,,,,,
100.034.681,238-166-3,14275-57-1,"(Z)-5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadec-8-ene","5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadec-8-ene",CCCC[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C4H4O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC28H56O4Sn2/c1-7-13-21-33(22-14-8-2,23-15-9-3)31-27(29)19-20-28(30)32-34(24-16-10-4,25-17-11-5)26-18-12-6/h19-20H,7-18,21-26H2,1-6H3",C28H56O4Sn2,,,,,,YABTYYUIWFCMDW-DYNMZUSMSA-L,,,,,,,,,,,
100.034.689,238-175-2,14282-76-9,2-bromo-3-methylthiophene,2-bromo-3-methylthiophene,Cc1ccsc1Br,Cc1ccsc1Br,"InChI=1/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3",C5H5BrS,,,,,,YYJBWYBULYUKMR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.696,238-183-6,14284-34-5,Calcium magnesium silicate(3:1:2),calcium magnesium silicate(3:1:2),[MgH2].[CaH2].[CaH2].[CaH2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[MgH2].[CaH2].[CaH2].[CaH2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/3Ca.Mg.2O3Si.8H/c;;;;2*1-4(2)3;;;;;;;;/q4*+2;2*-2;;;;;;;;/r3CaH2.H2Mg.2O3Si/c;;;;2*1-4(2)3/h4*1H2;;/q4*+2;2*-2,Ca.2/3H4O4Si.1/3Mg,,,,,,UUDFMGANCHAIJL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.699,238-186-2,14284-87-8,"Tris(pentane-2,4-dionato-O,O')gadolinium",gadolinium tris(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Gd](OC(=CC(=O)C)C)OC(=CC(=O)C)C,CC(=O)C=C(C)O[Gd](OC(=CC(=O)C)C)OC(=CC(=O)C)C,"InChI=1/3C5H8O2.Gd/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3",C15H21GdO6,,,,,,IQGAADOKZGEEQE-UHFFFAOYSA-K,,,,,,,,,,,
100.034.724,238-213-8,14289-73-7,(3-propoxypropyl)benzene,(3-propoxypropyl)benzene,CCCOCCCc1ccccc1,CCCOCCCc1ccccc1,"InChI=1/C12H18O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3",C12H18O,,,,,,VUNSFNVCZZAWNV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.869,264-775-9,64318-79-2,Gemeprost,"methyl 11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-2,13-dien-1-oate",O[C@@H]1CC(=O)[C@H](CCCCC=CC(=O)OC)[C@H]1C=C[C@@H](O)C(C)(C)CCCC,O[C@@H]1CC(=O)[C@H](CCCCC=CC(=O)OC)[C@H]1C=C[C@@H](O)C(C)(C)CCCC,"InChI=1/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3",C23H38O5,,,,,,KYBOHGVERHWSSV-VURPSTOHSA-N,,,,,,,,,,,
100.060.500,266-571-5,67106-67-6,"ß,ß-dimethyl-1H-imidazole-2-ethanol",2-(1H-imidazol-2-yl)-2-methylpropan-1-ol,CC(C)(CO)c1ncc[nH]1,CC(C)(CO)c1ncc[nH]1,"InChI=1/C7H12N2O/c1-7(2,5-10)6-8-3-4-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)",C7H12N2O,,,,,,IISXZANEXOGTTM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.516,266-588-8,67151-67-1,"Calcium 3,3'-thiobispropionate","calcium 3,3'-sulfanediyldipropanoate",[Ca+2].[O-]C(=O)CCSCCC(=O)[O-],[Ca+2].[O-]C(=O)CCSCCC(=O)[O-],"InChI=1/C6H10O4S.Ca/c7-5(8)1-3-11-4-2-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2",C6H10O4S.xCa,,,,,,IIPIUKIMHUHAEW-UHFFFAOYSA-L,,,,,,,,,,,
100.060.518,266-590-9,67160-74-1,4-[1-hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl]phenyl pivalate,4-{1-hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl}phenyl pivalate,CC(COc1ccccc1)NC(C)C(O)c2ccc(OC(=O)C(C)(C)C)cc2,CC(COc1ccccc1)NC(C)C(O)c2ccc(OC(=O)C(C)(C)C)cc2,"InChI=1/C23H31NO4/c1-16(15-27-19-9-7-6-8-10-19)24-17(2)21(25)18-11-13-20(14-12-18)28-22(26)23(3,4)5/h6-14,16-17,21,24-25H,15H2,1-5H3",C23H31NO4,,,,,,QAYOFBVPJIPEAO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.519,266-591-4,67162-11-2,"4-[(2,4-dinitrophenyl)azo]-3-methyl-1-phenyl-1H-pyrazol-5-amine","4-[(2,4-dinitrophenyl)diazenyl]-3-methyl-1-phenyl-1H-pyrazol-5-amine",[O-][N+](=O)c3ccc(N=Nc2c(C)nn(c1ccccc1)c2N)c(c3)[N+]([O-])=O,[O-][N+](=O)c3ccc(N=Nc2c(C)nn(c1ccccc1)c2N)c(c3)[N+]([O-])=O,"InChI=1/C16H13N7O4/c1-10-15(16(17)21(20-10)11-5-3-2-4-6-11)19-18-13-8-7-12(22(24)25)9-14(13)23(26)27/h2-9H,17H2,1H3",C16H13N7O4,,,,,,FNANWDHJXQWWSM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.521,266-594-0,67169-91-9,N-(2-amino-4-ethoxyphenyl)acetamide,N-(2-amino-4-ethoxyphenyl)acetamide,CCOc1ccc(NC(=O)C)c(N)c1,CCOc1ccc(NC(=O)C)c(N)c1,"InChI=1/C10H14N2O2/c1-3-14-8-4-5-10(9(11)6-8)12-7(2)13/h4-6H,3,11H2,1-2H3,(H,12,13)",C10H14N2O2,,,,,,PTNZBDTVFQBGST-UHFFFAOYSA-N,,,,,,,,,,,
100.060.526,266-599-8,67182-65-4,Tantalum bromide,tantalum(2+) dibromide,[Br-].[Br-].[Ta+2],[Br-].[Br-].[Ta+2],InChI=1/2BrH.Ta/h2*1H;/q;;+2/p-2,-,,,,,,ZNRKKSGNBIJSRT-UHFFFAOYSA-L,,,,,,,,,,,
100.060.529,266-602-2,67191-93-9,5-fluoro-o-tolyl isocyanate,4-fluoro-2-isocyanato-1-methylbenzene,Cc1ccc(F)cc1N=C=O,Cc1ccc(F)cc1N=C=O,"InChI=1/C8H6FNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3",C8H6FNO,,,,,,KRAMFLATTKXGOW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.530,266-603-8,67208-09-7,"3,7-dihydro-1H-purine-2,6-dione, monopotassium salt",-,[K+].O=C1NC(=O)c2nc[nH]c2N1,[K+].O=C1NC(=O)c2nc[nH]c2N1,"InChI=1/C5H4N4O2.K/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1",C5H4N4O2.K,,,,,,VWBWAALEWBNEIR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.509,261-079-7,58044-99-8,"N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethylenediammonium maleate","N-benzyl-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diaminium but-2-enedioate",C[NH+](C)CC[NH+](Cc1ccccc1)c2ccccn2.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+](C)CC[NH+](Cc1ccccc1)c2ccccn2.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C16H21N3.C4H4O4/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;5-3(6)1-2-4(7)8/h3-11H,12-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C16H21N3.C4H4O4,,,,,,IYBMTVOXRBXURA-BTJKTKAUSA-N,,,,,,,,,,,
100.055.511,261-081-8,58046-43-8,4-ethyloct-1-en-3-ol,4-ethyloct-1-en-3-ol,CCCCC(CC)C(O)C=C,CCCCC(CC)C(O)C=C,"InChI=1/C10H20O/c1-4-7-8-9(5-2)10(11)6-3/h6,9-11H,3-5,7-8H2,1-2H3",C10H20O,,,,,,AZFUMZRIDXIUQM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.527,261-099-6,58076-34-9,p-(dodecyloxy)benzenesulphonyl chloride,4-(dodecyloxy)benzenesulfonyl chloride,CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Cl,CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C18H29ClO3S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-14-18(15-13-17)23(19,20)21/h12-15H,2-11,16H2,1H3",C18H29ClO3S,,,,,,VHNTZBNCKFRVAD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.530,261-103-6,58082-65-8,p-nitrophenyl N2-(tert-butoxycarbonyl)-N6-[[2-(methylsulphonyl)ethoxy]carbonyl]-L-lysinate,4-nitrophenyl N~2~-(tert-butoxycarbonyl)-N~6~-{[2-(methylsulfonyl)ethoxy]carbonyl}lysinate,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C21H31N3O10S/c1-21(2,3)34-20(27)23-17(18(25)33-16-10-8-15(9-11-16)24(28)29)7-5-6-12-22-19(26)32-13-14-35(4,30)31/h8-11,17H,5-7,12-14H2,1-4H3,(H,22,26)(H,23,27)",C21H31N3O10S,,,,,,AMMIWIHTJFNQDK-KRWDZBQOSA-N,,,,,,,,,,,
100.055.531,261-104-1,58084-48-3,"9,10-didehydro-6-methylergolin-8a-amine","6-methyl-9,10-didehydroergolin-8-amine",CN1C[C@@H](N)C=C2[C@H]1Cc3c[nH]c4cccc2c34,CN1C[C@@H](N)C=C2[C@H]1Cc3c[nH]c4cccc2c34,"InChI=1/C15H17N3/c1-18-8-10(16)6-12-11-3-2-4-13-15(11)9(7-17-13)5-14(12)18/h2-4,6-7,10,14,17H,5,8,16H2,1H3",C15H17N3,,,,,,YFPQZLKFHUVMEA-IINYFYTJSA-N,,,,,,,,,,,
100.031.292,234-435-4,12003-70-2,"Aluminium, compound with manganese (1:1)",aluminum - manganese (1:1),[AlH3].[Mn],[AlH3].[Mn],InChI=1/Al.Mn.3H/q+3;+2;;;/rAlH3.Mn/h1H3;/q+3;+2,Al.Mn,,,,,,WYZOLCZNZZEPRR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.295,234-439-6,12003-78-0,"Aluminium, compound with nickel (1:1)",aluminum - nickel (1:1),[AlH3].[Ni],[AlH3].[Ni],InChI=1/Al.Ni.3H/q+3;+2;;;/rAlH3.Ni/h1H3;/q+3;+2,Al.Ni,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/17234,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.295,YYCNOHYMCOXPPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.308,234-453-2,12004-32-9,"Aluminium, compound with lanthanum (2:1)",aluminum - lanthanum (2:1),[AlH3].[AlH3].[La],[AlH3].[AlH3].[La],InChI=1/2Al.La.6H/q3*+3;;;;;;/r2AlH3.La/h2*1H3;/q3*+3,Al.La,,,,,,OQNSVECNLXAHNS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.314,234-460-0,12004-76-1,"Aluminium, compound with tantalum (3:1)",aluminum - tantalum (3:1),[AlH3].[AlH3].[AlH3].[Ta],[AlH3].[AlH3].[AlH3].[Ta],InChI=1/3Al.Ta.9H/q3*+3;+2;;;;;;;;;/r3AlH3.Ta/h3*1H3;/q3*+3;+2,Al.Ta,,,,,,AIFKTDRMAUQMJM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.315,234-461-6,12004-78-3,"Aluminium, compound with titanium (3:1)",aluminum - titanium (3:1),[AlH3].[AlH3].[AlH3].[Ti],[AlH3].[AlH3].[AlH3].[Ti],InChI=1/3Al.Ti.9H/q3*+3;+2;;;;;;;;;/r3AlH3.Ti/h3*1H3;/q3*+3;+2,Al.Ti,,,,,,ZOTQKIDWBQQTAL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.596,236-971-4,13567-39-0,"[1aS-(1aa,2aß,3a,5aa,7ß,7aa)]-octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno[5,6-b]oxirene","8,9-epoxycedrane",CC1CCC2C(C)(C)C3CC12CC4OC34C,CC1CCC2C(C)(C)C3CC12CC4OC34C,"InChI=1/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3",C15H24O,,,,,,HZRFVTRTTXBHSE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.597,236-973-5,13567-42-5,"[3R-(3a,3aß,5a,6ß,7ß,8aa)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-ol",cedran-9-ol,CC1C(O)CC23CC1C(C)(C)C2CCC3C,CC1C(O)CC23CC1C(C)(C)C2CCC3C,"InChI=1/C15H26O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-13,16H,5-8H2,1-4H3",C15H26O,,,,,,AEJKOZRRMKOBQS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.610,236-987-1,13569-63-6,Rhenium trichloride,-,[Cl-].[Cl-].[Cl-].[Re+2],[Cl-].[Cl-].[Cl-].[Re+2],InChI=1/3ClH.Re/h3*1H;/q;;;+2/p-3,Cl3Re,,,,,,COXSJNBSLZKQGB-UHFFFAOYSA-K,,,,,,,,,,,
100.033.611,236-988-7,13569-67-0,Tantalum trichloride,-,[Cl-].[Cl-].[Cl-].[Ta+2],[Cl-].[Cl-].[Cl-].[Ta+2],InChI=1/3ClH.Ta/h3*1H;/q;;;+2/p-3,Cl3Ta,,,,,,OAGJWRUAMHISBQ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.614,236-991-3,13569-75-0,Chromium triiodide,-,[I-].[I-].[I-].[Cr+2],[I-].[I-].[I-].[Cr+2],InChI=1/Cr.3HI/h;3*1H/q+2;;;/p-3,CrI3,,,,,,KEQGMRDKXZBFRS-UHFFFAOYSA-K,,,,,,,,,,,
100.033.619,236-997-6,13572-98-0,Gadolinium triiodide,gadolinium triiodide,[I-].[I-].[I-].[Gd+3],[I-].[I-].[I-].[Gd+3],InChI=1/Gd.3HI/h;3*1H/q+3;;;/p-3,GdI3,,,,,,IZZTUGMCLUGNPM-UHFFFAOYSA-K,,,,,,,,,,,
100.035.129,238-658-8,14618-78-1,"4,4-dimethoxybutyronitrile","4,4-dimethoxybutanenitrile",COC(CCC#N)OC,COC(CCC#N)OC,"InChI=1/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3",C6H11NO2,,,,,,XJHNCGVHPLDMRK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.134,238-664-0,14623-68-8,2-(p-amino-N-ethylanilino)ethanol sulphate,2-[(4-aminophenyl)(ethyl)amino]ethanol sulfate (salt),CCN(CCO)c1ccc(N)cc1.OS(=O)(=O)O,CCN(CCO)c1ccc(N)cc1.OS(=O)(=O)O,"InChI=1/C10H16N2O.H2O4S/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4/h3-6,13H,2,7-8,11H2,1H3;(H2,1,2,3,4)",C10H16N2O.xH2O4S,,,,,,KAJALVWKFPQZOO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.135,238-665-6,14623-75-7,"Carbonic acid, cerium salt",-,[Ce+3].[O-]C(=O)[O-],[Ce+3].[O-]C(=O)[O-],"InChI=1/CH2O3.Ce/c2-1(3)4;/h(H2,2,3,4);/q;+3/p-2",CH2O3.xCe,,,,,,ICYARXLOQWPLNH-UHFFFAOYSA-L,,,,,,,,,,,
100.035.137,238-667-7,14624-15-8,Aluminium tridodecanolate,aluminum tridodecan-1-olate,[Al+3].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-],[Al+3].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-],"InChI=1/3C12H25O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;/h3*2-12H2,1H3;/q3*-1;+3",C12H26O.1/3Al,,,,,,PNRSICAVRDRYOH-UHFFFAOYSA-N,,,,,,,,,,,
100.042.786,247-081-0,25535-16-4,"3,8-diamino-5-[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium diiodide","3,8-diamino-5-{3-[(1-ethylpropyl)ammonio]propyl}-6-phenylphenanthridinium diiodide",[I-].[I-].CCC(CC)[NH2+]CCC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,[I-].[I-].CCC(CC)[NH2+]CCC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,"InChI=1/C27H32N4.2HI/c1-3-22(4-2)30-15-8-16-31-26-18-21(29)12-14-24(26)23-13-11-20(28)17-25(23)27(31)19-9-6-5-7-10-19;;/h5-7,9-14,17-18,22,29-30H,3-4,8,15-16,28H2,1-2H3;2*1H",C27H34N4.2I,,,,,,KAWOETCRSHTTLN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.787,247-082-6,25536-14-5,"6,7-dihydro-2-methyl-5H-1-pyrindine","2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine",Cc1ccc2CCCc2n1,Cc1ccc2CCCc2n1,"InChI=1/C9H11N/c1-7-5-6-8-3-2-4-9(8)10-7/h5-6H,2-4H2,1H3",C9H11N,,,,,,HOAJAZVXWNQMOV-UHFFFAOYSA-N,,,,,,,,,,,
100.042.790,247-085-2,25542-62-5,Ethyl 6-bromohexanoate,ethyl 6-bromohexanoate,CCOC(=O)CCCCCBr,CCOC(=O)CCCCCBr,"InChI=1/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3",C8H15BrO2,,,,,,DXBULVYHTICWKT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.564,261-140-8,58138-52-6,"4,5-dimethylsalicylic acid","2-hydroxy-4,5-dimethylbenzoic acid",Cc1cc(O)c(cc1C)C(=O)O,Cc1cc(O)c(cc1C)C(=O)O,"InChI=1/C9H10O3/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4,10H,1-2H3,(H,11,12)",C9H10O3,,,,,,VFIVMIIQIYPVCM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.570,261-147-6,58162-63-3,5-[[(1-hydroxy-2-naphthyl)carbonyl][[3-[(1-oxooctadecyl)amino]phenyl]methyl]amino]phthalic acid,4-{(1-hydroxy-2-naphthoyl)[3-(stearoylamino)benzyl]amino}phthalic acid,CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(CN(C(=O)c2ccc3ccccc3c2O)c4ccc(C(=O)O)c(c4)C(=O)O)c1,CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(CN(C(=O)c2ccc3ccccc3c2O)c4ccc(C(=O)O)c(c4)C(=O)O)c1,"InChI=1/C44H54N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-40(47)45-34-22-19-20-32(29-34)31-46(35-26-28-37(43(50)51)39(30-35)44(52)53)42(49)38-27-25-33-21-17-18-23-36(33)41(38)48/h17-23,25-30,48H,2-16,24,31H2,1H3,(H,45,47)(H,50,51)(H,52,53)",C44H54N2O7,,,,,,DJMVLMJDUCYONC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.571,261-148-1,58164-88-8,Antimony trilactate,antimony(3+) tris(2-hydroxypropanoate),[SbH3+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[SbH3+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/3C3H6O3.Sb.3H/c3*1-2(4)3(5)6;;;;/h3*2,4H,1H3,(H,5,6);;;;/q;;;+3;;;/p-3/r3C3H6O3.H3Sb/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);1H3/q;;;+3/p-3",C3H6O3.1/3Sb,,,,,,BVLLWARQECAOKG-UHFFFAOYSA-K,,,,,,,,,,,
100.055.574,261-151-8,58169-99-6,"2,3,4,6-tetrabromo-m-cresol","2,4,5,6-tetrabromo-5-methylcyclohexa-1,3-dien-1-ol",CC1(Br)C(Br)C(=C(Br)C=C1Br)O,CC1(Br)C(Br)C(=C(Br)C=C1Br)O,"InChI=1/C7H6Br4O/c1-7(11)4(9)2-3(8)5(12)6(7)10/h2,6,12H,1H3",C7H4Br4O,,,,,,RAIKWSATYUPFLW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.576,261-153-9,58177-61-0,(Z)-3-[3-(trifluoromethyl)phenyl]acrylonitrile,3-[3-(trifluoromethyl)phenyl]acrylonitrile,FC(F)(F)c1cccc(/C=C\\C#N)c1,FC(F)(F)c1cccc(/C=C\C#N)c1,"InChI=1/C10H6F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7H",C10H6F3N,,,,,,AQKTWIMZLCJHDR-RQOWECAXSA-N,,,,,,,,,,,
100.055.586,261-164-9,58204-91-4,N-[2-[(2-chloro-6-cyano-4-nitrophenyl)azo]-5-[(3-methoxybutyl)(2-methoxyethyl)amino]phenyl]acetamide,N-{2-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-5-[(3-methoxybutyl)(2-methoxyethyl)amino]phenyl}acetamide,Clc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCC(C)OC)CCOC)[N+]([O-])=O,Clc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCC(C)OC)CCOC)[N+]([O-])=O,"InChI=1/C23H27ClN6O5/c1-15(35-4)7-8-29(9-10-34-3)18-5-6-21(22(13-18)26-16(2)31)27-28-23-17(14-25)11-19(30(32)33)12-20(23)24/h5-6,11-13,15H,7-10H2,1-4H3,(H,26,31)",C23H27ClN6O5,,,,,,IXXHZTCXWOJKTR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.645,264-529-0,63870-35-9,"5-[5-(hexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)penta-2,4-dienylidene]dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, monosodium salt",-,[Na+].O=C2NC(=S)NC(=O)C2C=CC=C\\C=C1/C(=O)NC(=S)NC1=O,[Na+].O=C2NC(=S)NC(=O)C2C=CC=C\C=C1/C(=O)NC(=S)NC1=O,"InChI=1/C13H10N4O4S2.Na/c18-8-6(9(19)15-12(22)14-8)4-2-1-3-5-7-10(20)16-13(23)17-11(7)21;/h1-6H,(H2,14,15,18,19,22)(H2,16,17,20,21,23);/q;+1",C13H10N4O4S2.Na,,,,,,YRBUWXHHQYZPHT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.649,264-533-2,63870-43-9,3-ethyl-2-[2-(methylthio)but-1-enyl]benzothiazolium iodide,"3-ethyl-2-[2-(methylsulfanyl)but-1-en-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].CCC(SC)=Cc2sc1ccccc1[n+]2CC,[I-].CCC(SC)=Cc2sc1ccccc1[n+]2CC,"InChI=1/C14H18NS2.HI/c1-4-11(16-3)10-14-15(5-2)12-8-6-7-9-13(12)17-14;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1",C14H18NS2.I,,,,,,VRUKJBQALZCTDX-UHFFFAOYSA-M,,,,,,,,,,,
100.058.659,264-544-2,63881-24-3,"3-(acetylethylamino)-5-amino-2,4,6-triiodobenzoic acid","3-[acetyl(ethyl)amino]-5-amino-2,4,6-triiodobenzoic acid",CCN(C(=O)C)c1c(I)c(N)c(I)c(C(=O)O)c1I,CCN(C(=O)C)c1c(I)c(N)c(I)c(C(=O)O)c1I,"InChI=1/C11H11I3N2O3/c1-3-16(4(2)17)10-7(13)5(11(18)19)6(12)9(15)8(10)14/h3,15H2,1-2H3,(H,18,19)",C11H11I3N2O3,,,,,,KDBIQFLIAZAGBU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.665,264-551-0,63899-00-3,"3-[4,5-dihydro-3-methyl-4-[(4-methyl-2-nitrophenyl)azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide","3-{3-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonamide",[O-][N+](=O)c3cc(C)ccc3N=NC2C(\\C)=N/N(c1cc(ccc1)S(N)(=O)=O)C2=O,[O-][N+](=O)c3cc(C)ccc3N=NC2C(\C)=N/N(c1cc(ccc1)S(N)(=O)=O)C2=O,"InChI=1/C17H16N6O5S/c1-10-6-7-14(15(8-10)23(25)26)19-20-16-11(2)21-22(17(16)24)12-4-3-5-13(9-12)29(18,27)28/h3-9,16H,1-2H3,(H2,18,27,28)",C17H16N6O5S,,,,,,QECWZSQQCHEKBD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.670,264-556-8,63905-31-7,S-(2-aminoethyl)-L-cysteine dihydrochloride,N-(2-aminoethyl)-L-cysteine dihydrochloride,Cl.Cl.NCCN[C@@H](CS)C(=O)O,Cl.Cl.NCCN[C@@H](CS)C(=O)O,"InChI=1/C5H12N2O2S.2ClH/c6-1-2-7-4(3-10)5(8)9;;/h4,7,10H,1-3,6H2,(H,8,9);2*1H",C5H12N2O2S.2ClH,,,,,,RWNHRLZFUHPJQN-FHNDMYTFSA-N,,,,,,,,,,,
100.058.675,264-562-0,63912-44-7,1-ethyl-2-[[3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]quinolinium,"4-{2-[(1-ethylquinolinium-2-yl)methylene]-1,3-benzothiazol-3(2H)-yl}butane-1-sulfonate",[O-]S(=O)(=O)CCCCN3c4ccccc4SC3=Cc1ccc2ccccc2[n+]1CC,[O-]S(=O)(=O)CCCCN3c4ccccc4SC3=Cc1ccc2ccccc2[n+]1CC,"InChI=1/C23H24N2O3S2/c1-2-24-19(14-13-18-9-3-4-10-20(18)24)17-23-25(15-7-8-16-30(26,27)28)21-11-5-6-12-22(21)29-23/h3-6,9-14,17H,2,7-8,15-16H2,1H3",C23H24N2O3S2,,,,,,DCTMOORIUHYEPD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.654,233-733-1,10339-60-3,(E)-3-decenol,dec-3-en-1-ol,CCCCCC\\C=C\\CCO,CCCCCC\C=C\CCO,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h7-8,11H,2-6,9-10H2,1H3",C10H20O,,,,,,MTIJDFJGPCJFKE-BQYQJAHWSA-N,,,,,,,,,,,
100.030.655,233-734-7,10340-22-4,(Z)-3-decenol,dec-3-en-1-ol,CCCCCC\\C=C/CCO,CCCCCC\C=C/CCO,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h7-8,11H,2-6,9-10H2,1H3",C10H20O,,,,,,MTIJDFJGPCJFKE-FPLPWBNLSA-N,,,,,,,,,,,
100.030.656,233-735-2,10340-23-5,(Z)-non-3-en-1-ol,non-3-en-1-ol,CCCCC\\C=C/CCO,CCCCC\C=C/CCO,"InChI=1/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3",C9H18O,,,,,,IFTBJDZSLBRRMC-SREVYHEPSA-N,,,,,,,,,,,
100.030.662,233-742-0,10342-06-0,"N-[tert-butoxycarbonyl]-L-serine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-L-serine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C8H15NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8(2,3)14-7(13)9-5(4-10)6(11)12/h11-13H,1-10H2;5,10H,4H2,1-3H3,(H,9,13)(H,11,12)",C12H23N.C8H15NO5,,,,,,SXFFBABPUQBMIL-ZSCHJXSPSA-N,,,,,,,,,,,
100.030.667,233-747-8,10343-55-2,[3-[[1-[anilinocarbonyl]-2-oxopropyl]azo]-2-hydroxy-5-nitrobenzene-1-sulphonato(3-)]chromium,(1-anilino-2-{[2-(hydroxy-kappaO)-5-nitro-3-(sulfo-kappaO)phenyl]diazenyl}-3-oxobut-2-yl-kappaC~2~)chromium,CC(=O)C1(N=Nc2cc(cc3c2O[Cr]1OS3(=O)=O)N(=O)=O)C(=O)Nc4ccccc4,CC(=O)C1(N=Nc2cc(cc3c2O[Cr]1OS3(=O)=O)N(=O)=O)C(=O)Nc4ccccc4,"InChI=1/C16H13N4O8S.Cr/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2-8,22H,1H3,(H,17,23)(H,26,27,28);/q;+2/p-2/rC16H11CrN4O8S/c1-9(22)16(15(23)18-10-5-3-2-4-6-10)17-28-14-12(19-20-16)7-11(21(24)25)8-13(14)30(26,27)29-17/h2-8H,1H3,(H,18,23)",C16H11CrN4O8S,,,,,,VMOPRKNYGVYZMU-TVWXOORISA-L,,,,,,,,,,,
100.030.669,233-749-9,10343-61-0,Dititanium tris(sulphate),dititanium tris(sulphate),[Ti+2].[Ti+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Ti+2].[Ti+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Ti/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+2/p-6",H2O4S.2/3Ti,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13799,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.669,AHCFANCHWXSITF-UHFFFAOYSA-H,,,,,,,,,,,
100.030.672,233-753-0,10344-94-2,p-nitrophenyl ß-D-glucopyranosiduronic acid,4-nitrophenyl beta-D-glucopyranosiduronic acid,O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)[N+](=O)[O-])O[C@@H]([C@H]1O)C(=O)O,O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)[N+](=O)[O-])O[C@@H]([C@H]1O)C(=O)O,"InChI=1/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)",C12H13NO9,,,,,,QSUILVWOWLUOEU-GOVZDWNOSA-N,,,,,,,,,,,
100.030.677,233-758-8,10347-81-6,Maprotiline hydrochloride,"3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine hydrochloride",Cl.CNCCCC12CCC(c3ccccc13)c4ccccc24,Cl.CNCCCC12CCC(c3ccccc13)c4ccccc24,"InChI=1/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H",C20H23N.ClH,,,,,,NZDMFGKECODQRY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.679,233-760-9,10348-47-7,Ethyl 2-hydroxy-4-methylvalerate,ethyl 2-hydroxy-4-methylpentanoate,CCOC(=O)C(O)CC(C)C,CCOC(=O)C(O)CC(C)C,"InChI=1/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3",C8H16O3,,,,,,QRHOWVDPHIXNEN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.680,233-761-4,10349-57-2,Quinoline-6-carboxylic acid,quinoline-6-carboxylic acid,OC(=O)c1ccc2ncccc2c1,OC(=O)c1ccc2ncccc2c1,"InChI=1/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13)",C10H7NO2,,,,,,VXGYRCVTBHVXMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.682,233-764-0,10351-06-1,"2,3,5,6-tetrachloropyridine-4-thiol","2,3,5,6-tetrachloropyridine-4-thiol",Sc1c(Cl)c(Cl)nc(Cl)c1Cl,Sc1c(Cl)c(Cl)nc(Cl)c1Cl,"InChI=1/C5HCl4NS/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)",C5HCl4NS,,,,,,LVUQDNJRAHUUSB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.689,233-771-9,10353-53-4,"5,6-epoxyhex-1-ene",2-but-3-en-1-yloxirane,C=CCCC1CO1,C=CCCC1CO1,"InChI=1/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2",C6H10O,,,,,,MUUOUUYKIVSIAR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.695,233-778-7,10359-69-0,Sodium 4-nitro-2-stilbenesulphonate,sodium 5-nitro-2-(2-phenylvinyl)benzenesulfonate,[Na+].[O-][N+](=O)c1ccc(\\C=C\\c2ccccc2)c(c1)S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1ccc(\C=C\c2ccccc2)c(c1)S(=O)(=O)[O-],"InChI=1/C14H11NO5S.Na/c16-15(17)13-9-8-12(14(10-13)21(18,19)20)7-6-11-4-2-1-3-5-11;/h1-10H,(H,18,19,20);/q;+1/p-1",C14H11NO5S.Na,,,,,,MBOXOIPGVJIOIL-UHDJGPCESA-M,,,,,,,,,,,
100.030.697,233-780-8,10359-95-2,"Trisodium 4-hydroxy-5-[[5-sulphonato-4-[(p-tolyl)amino]naphthyl]azo]naphthalene-2,7-disulphonate","trisodium 4-hydroxy-5-({4-[(4-methylphenyl)amino]-5-sulfonato-1-naphthyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc5c1c(Nc2ccc(C)cc2)ccc5N=Nc3cc(cc4cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc5c1c(Nc2ccc(C)cc2)ccc5N=Nc3cc(cc4cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C27H21N3O10S3.3Na/c1-15-5-7-17(8-6-15)28-22-10-9-21(20-3-2-4-25(27(20)22)43(38,39)40)29-30-23-13-18(41(32,33)34)11-16-12-19(42(35,36)37)14-24(31)26(16)23;;;/h2-14,28,31H,1H3,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3",C27H21N3O10S3.3Na,,,,,,ZOKXMSGXPKIEIL-UHFFFAOYSA-K,,,,,,,,,,,
100.037.824,241-624-5,17639-93-9,Methyl 2-chloropropionate,methyl 2-chloropropanoate,COC(=O)C(C)Cl,COC(=O)C(C)Cl,"InChI=1/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3",C4H7ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5504,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.824,JLEJCNOTNLZCHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.539,261-113-0,58093-31-5,4-benzyl-4-methylmorpholinium methyl sulphate,4-benzyl-4-methylmorpholin-4-ium methyl sulfate,COS(=O)(=O)[O-].C[N+]1(Cc2ccccc2)CCOCC1,COS(=O)(=O)[O-].C[N+]1(Cc2ccccc2)CCOCC1,"InChI=1/C12H18NO.CH4O4S/c1-13(7-9-14-10-8-13)11-12-5-3-2-4-6-12;1-5-6(2,3)4/h2-6H,7-11H2,1H3;1H3,(H,2,3,4)/q+1;/p-1",C12H18NO.CH3O4S,,,,,,HDVNCKUQSNFPFZ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.473,263-240-7,61813-43-2,N-(2-chloroethyl)-4-[(2-chloro-4-nitrophenyl)azo]-N-ethylaniline,N-(2-chloroethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylaniline,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCCl)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCCl)[N+]([O-])=O,"InChI=1/C16H16Cl2N4O2/c1-2-21(10-9-17)13-5-3-12(4-6-13)19-20-16-8-7-14(22(23)24)11-15(16)18/h3-8,11H,2,9-10H2,1H3",C16H16Cl2N4O2,,,,,,FEQBFCBDBGMWRO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.477,263-244-9,61813-50-1,"2-chloro-N,N-diethylbenzene-1,4-diamine hydrochloride","2-chloro-N~1~,N~1~-diethylbenzene-1,4-diamine hydrochloride",Cl.CCN(CC)c1ccc(N)cc1Cl,Cl.CCN(CC)c1ccc(N)cc1Cl,"InChI=1/C10H15ClN2.ClH/c1-3-13(4-2)10-6-5-8(12)7-9(10)11;/h5-7H,3-4,12H2,1-2H3;1H",C10H15ClN2.xClH,,,,,,LEUDQCFYMPZUBI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.479,263-247-5,61813-58-9,4-ethoxy-3-methoxybenzyl alcohol,(4-ethoxy-3-methoxyphenyl)methanol,CCOc1ccc(CO)cc1OC,CCOc1ccc(CO)cc1OC,"InChI=1/C10H14O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-6,11H,3,7H2,1-2H3",C10H14O3,,,,,,PMSHVORCBMOTBP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.483,263-251-7,61826-53-7,"(2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8-methanol","(1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalen-8-yl)methanol",CC1(C)CCC(=C2C(C)(C)[C@H]3CCC12C3)CO,CC1(C)CCC(=C2C(C)(C)[C@H]3CCC12C3)CO,"InChI=1/C16H26O/c1-14(2)7-5-11(10-17)13-15(3,4)12-6-8-16(13,14)9-12/h12,17H,5-10H2,1-4H3",C16H26O,,,,,,SQQNKCAPKQIRBP-HKALDPMFSA-N,,,,,,,,,,,
100.057.488,263-256-4,61827-64-3,2-ethylhexyl 2-methylpropyl phthalate,2-ethylhexyl isobutyl phthalate,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(C)C,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(C)C,"InChI=1/C20H30O4/c1-5-7-10-16(6-2)14-24-20(22)18-12-9-8-11-17(18)19(21)23-13-15(3)4/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3",C20H30O4,,,,,,GEWZPNMYMLQKGF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.491,263-260-6,61827-68-7,Ethyl 4-acetylphenylsulphonylcarbamate,ethyl [(4-acetylphenyl)sulfonyl]carbamate,CCOC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)C,CCOC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)C,"InChI=1/C11H13NO5S/c1-3-17-11(14)12-18(15,16)10-6-4-9(5-7-10)8(2)13/h4-7H,3H2,1-2H3,(H,12,14)",C11H13NO5S,,,,,,DDNCKBTWKYSFTE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.495,263-264-8,61827-75-6,"3-[(4-amino-5-methoxy-o-tolyl)azo]naphthalene-1,5-disulphonic acid","3-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid",Nc1cc(C)c(cc1OC)N=Nc3cc2c(cccc2c(c3)S(O)(=O)=O)S(O)(=O)=O,Nc1cc(C)c(cc1OC)N=Nc3cc2c(cccc2c(c3)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H17N3O7S2/c1-10-6-14(19)16(28-2)9-15(10)21-20-11-7-13-12(18(8-11)30(25,26)27)4-3-5-17(13)29(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)",C18H17N3O7S2,,,,,,DCVDDHNAUZKOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.973,262-690-1,61295-41-8,3-[(2-methyl-3-furyl)thio]heptan-4-one,3-[(2-methyl-3-furyl)sulfanyl]heptan-4-one,CCCC(=O)C(CC)Sc1ccoc1C,CCCC(=O)C(CC)Sc1ccoc1C,"InChI=1/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3",C12H18O2S,,,,,,GFRRQSASJZMMJC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.975,262-692-2,61295-51-0,"2,6-dimethyl-3-[(2-methyl-3-furyl)thio]heptan-4-one","2,6-dimethyl-3-[(2-methyl-3-furyl)sulfanyl]heptan-4-one",CC(C)CC(=O)C(Sc1ccoc1C)C(C)C,CC(C)CC(=O)C(Sc1ccoc1C)C(C)C,"InChI=1/C14H22O2S/c1-9(2)8-12(15)14(10(3)4)17-13-6-7-16-11(13)5/h6-7,9-10,14H,8H2,1-5H3",C14H22O2S,,,,,,PFFLSEMCPNTWOY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.978,262-695-9,61295-54-3,"3-chloro-2,6-dimethylheptan-4-one","3-chloro-2,6-dimethylheptan-4-one",CC(C)CC(=O)C(Cl)C(C)C,CC(C)CC(=O)C(Cl)C(C)C,"InChI=1/C9H17ClO/c1-6(2)5-8(11)9(10)7(3)4/h6-7,9H,5H2,1-4H3",C9H17ClO,,,,,,QGCVBQKYSIFIGH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.980,262-698-5,61296-14-8,"1,2-dihydro-2-oxo-3-pyridyl acetate","2-oxo-1,2-dihydropyridin-3-yl acetate",CC(=O)OC1=CC=CNC1=O,CC(=O)OC1=CC=CNC1=O,"InChI=1/C7H7NO3/c1-5(9)11-6-3-2-4-8-7(6)10/h2-4H,1H3,(H,8,10)",C7H7NO3,,,,,,AVXFMBRAPTYFOX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.985,262-704-6,61301-56-2,(E)-hexadec-11-en-1-ol,hexadec-11-en-1-ol,CCCC\\C=C\\CCCCCCCCCCO,CCCC\C=C\CCCCCCCCCCO,"InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3",C16H32O,,,,,,RHVMNRHQWXIJIS-AATRIKPKSA-N,,,,,,,,,,,
100.060.540,266-614-8,67231-93-0,Nonyl 3-mercaptopropionate,nonyl 3-sulfanylpropanoate,CCCCCCCCCOC(=O)CCS,CCCCCCCCCOC(=O)CCS,"InChI=1/C12H24O2S/c1-2-3-4-5-6-7-8-10-14-12(13)9-11-15/h15H,2-11H2,1H3",C12H24O2S,,,,,,KBTDRFBLCRALTE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.549,266-624-2,67253-30-9,N-(chloroacetyl)-L-isoleucine,N-(chloroacetyl)-L-isoleucine,CCC(C)[C@H](NC(=O)CCl)C(=O)O,CCC(C)[C@H](NC(=O)CCl)C(=O)O,"InChI=1/C8H14ClNO3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)",C8H14ClNO3,,,,,,HEZNGQNQHGVQLO-MSZQBOFLSA-N,,,,,,,,,,,
100.060.556,266-632-6,67287-36-9,"2-chloro-3,4-dimethoxyphenethylamine","2-(2-chloro-3,4-dimethoxyphenyl)ethanamine",COc1ccc(CCN)c(Cl)c1OC,COc1ccc(CCN)c(Cl)c1OC,"InChI=1/C10H14ClNO2/c1-13-8-4-3-7(5-6-12)9(11)10(8)14-2/h3-4H,5-6,12H2,1-2H3",C10H14ClNO2,,,,,,YTKGUKHQYUHYTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.042.791,247-086-8,25542-86-3,Sodium (2-hexyldecyl) sulphate,sodium 2-hexyldecyl sulfate,[Na+].CCCCCCCCC(CCCCCC)COS(=O)(=O)[O-],[Na+].CCCCCCCCC(CCCCCC)COS(=O)(=O)[O-],"InChI=1/C16H34O4S.Na/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-20-21(17,18)19;/h16H,3-15H2,1-2H3,(H,17,18,19);/q;+1/p-1",C16H34O4S.Na,,,,,,SLPFSOBFHLCNBM-UHFFFAOYSA-M,,,,,,,,,,,
100.042.800,247-096-2,25550-58-7,Dinitrophenol,"2,3-dinitrophenol",Oc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],Oc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H",C6H4N2O5,,,,,,MHKBMNACOMRIAW-UHFFFAOYSA-N,Negative,,,,,,SM816551,[M-H]-,HCD35,183.0048:137.0118:153.0068,CASMI_2016
100.042.802,247-098-3,25550-98-5,Diisodecyl phenyl phosphite,bis(8-methylnonyl) phenyl phosphite,CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1,CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1,"InChI=1/C26H47O3P/c1-24(2)18-12-7-5-9-16-22-27-30(29-26-20-14-11-15-21-26)28-23-17-10-6-8-13-19-25(3)4/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3",C26H47O3P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14566,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.802,SXXILWLQSQDLDL-UHFFFAOYSA-N,,,,,,,,,,,
100.042.804,247-100-2,25551-17-1,Bis(methylphenyl) sulphone,"1,1'-sulfonylbis(2-methylbenzene)",Cc1ccccc1S(=O)(=O)c2ccccc2C,Cc1ccccc1S(=O)(=O)c2ccccc2C,"InChI=1/C14H14O2S/c1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-10H,1-2H3",C14H14O2S,,,,,,KZCDMIJHGSSDFO-UHFFFAOYSA-N,,,,,,,,,,,
100.042.814,247-111-2,25573-43-7,Eseridine,"2,4a,9-trimethyl-2,3,4,4a,9,9a-hexahydro[1,2]oxazino[6,5-b]indol-6-yl methylcarbamate",CNC(=O)Oc1ccc2c(c1)[C@]3(C)CCN(C)OC3N2C,CNC(=O)Oc1ccc2c(c1)[C@]3(C)CCN(C)OC3N2C,"InChI=1/C15H21N3O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)",C15H21N3O3,,,,,,CNBHDDBNEKKMJH-WUJWULDRSA-N,,,,,,,,,,,
100.042.820,247-118-0,25584-83-2,"Acrylic acid, monoester with propane-1,2-diol",2-hydroxypropyl acrylate,CC(O)COC(=O)C=C,CC(O)COC(=O)C=C,"InChI=1/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3",C6H10O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13647,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.820,GWZMWHWAWHPNHN-UHFFFAOYSA-N,,,,,,,,,,,
100.042.822,247-120-1,25586-43-0,Chloronaphthalene,1-chloronaphthalene,Clc1cccc2ccccc12,Clc1cccc2ccccc12,InChI=1/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,C10H7Cl,,,,,,JTPNRXUCIXHOKM-UHFFFAOYSA-N,,,,,,,,,,,
100.042.824,247-122-2,25595-59-9,"Alpha-chloro-alpha,2-toluenesultone","3-chloro-3H-2,1-benzoxathiole 1,1-dioxide",ClC1OS(=O)(=O)c2ccccc12,ClC1OS(=O)(=O)c2ccccc12,"InChI=1/C7H5ClO3S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4,7H",C7H5ClO3S,,,,,,LNWUNIOANJTGPG-UHFFFAOYSA-N,,,,,,,,,,,
100.042.828,247-126-4,25611-78-3,"1,2-diphenylethylamine","1,2-diphenylethanamine",NC(Cc1ccccc1)c2ccccc2,NC(Cc1ccccc1)c2ccccc2,"InChI=1/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2",C14H15N,,,,,,DTGGNTMERRTPLR-UHFFFAOYSA-N,,,,,,,,,,,
100.032.178,235-409-5,12220-64-3,"Disodium 2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate","disodium 2-{[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O,[Na+].[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O,"InChI=1/C20H14Cl2N4O7S2.2Na/c1-10-18(20(27)26(25-10)16-8-14(22)17(9-13(16)21)34(28,29)30)24-23-15-7-6-11-4-2-3-5-12(11)19(15)35(31,32)33;;/h2-9,18H,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H14Cl2N4O7S2.2Na,,,,,,KRVDIUOUSKADMQ-UHFFFAOYSA-L,,,,,,,,,,,
100.032.182,235-413-7,12221-63-5,3-(3-amino-3-oxopropyl)-2-[[1-methyl-2-(p-tolyl)-1H-indol-3-yl]azo]benzothiazolium chloride,"3-(3-amino-3-oxopropyl)-2-{[1-methyl-2-(4-methylphenyl)-1H-indol-3-yl]diazenyl}-1,3-benzothiazol-3-ium chloride",[Cl-].Cc1ccc(cc1)c5n(C)c2ccccc2c5N=Nc4sc3ccccc3[n+]4CCC(N)=O,[Cl-].Cc1ccc(cc1)c5n(C)c2ccccc2c5N=Nc4sc3ccccc3[n+]4CCC(N)=O,"InChI=1/C26H23N5OS.ClH/c1-17-11-13-18(14-12-17)25-24(19-7-3-4-8-20(19)30(25)2)28-29-26-31(16-15-23(27)32)21-9-5-6-10-22(21)33-26;/h3-14H,15-16H2,1-2H3,(H-,27,32);1H",C26H24N5OS.Cl,,,,,,ZWZXYCGGYVNIIP-UHFFFAOYSA-N,,,,,,,,,,,
100.032.183,235-414-2,12222-00-3,"Tetrasodium [µ-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-)","tetrasodium 4,4'-[(3,3'-dihydroxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-hydroxynaphthalene-2,7-disulfonate)",Oc1cc(ccc1N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c4ccc(N=Nc5c(O)c(cc6cc(ccc56)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(O)c4,Oc1cc(ccc1N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c4ccc(N=Nc5c(O)c(cc6cc(ccc56)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(O)c4,"InChI=1/C32H22N4O16S4.4Na/c37-25-11-15(1-7-23(25)33-35-29-21-5-3-19(53(41,42)43)9-17(21)13-27(31(29)39)55(47,48)49)16-2-8-24(26(38)12-16)34-36-30-22-6-4-20(54(44,45)46)10-18(22)14-28(32(30)40)56(50,51)52;;;;/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/rC32H18N4Na4O16S4/c37-53-57(45,46)19-3-5-21-17(9-19)13-27(59(49,50)55-39)31(43)29(21)35-33-23-7-1-15(11-25(23)41)16-2-8-24(26(42)12-16)34-36-30-22-6-4-20(58(47,48)54-38)10-18(22)14-28(32(30)44)60(51,52)56-40/h1-14,41-44H",C32H14Cu2N4O16S4.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10756,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.183,CMNXPAJENLSJMJ-UHFFFAOYSA-J,,,,,,,,,,,
100.060.577,266-655-1,67342-98-7,Ethyl 2-acetyl-3-oxodecanoate,ethyl 2-acetyl-3-oxodecanoate,CCCCCCCC(=O)C(C(=O)C)C(=O)OCC,CCCCCCCC(=O)C(C(=O)C)C(=O)OCC,"InChI=1/C14H24O4/c1-4-6-7-8-9-10-12(16)13(11(3)15)14(17)18-5-2/h13H,4-10H2,1-3H3",C14H24O4,,,,,,HWJMRLHWXKAVSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.581,266-659-3,67355-31-1,Dipentaerythritol monoacetate,"3-hydroxy-2-{[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl}-2-(hydroxymethyl)propyl acetate",CC(=O)OCC(CO)(CO)COCC(CO)(CO)CO,CC(=O)OCC(CO)(CO)COCC(CO)(CO)CO,"InChI=1/C12H24O8/c1-10(18)20-9-12(5-16,6-17)8-19-7-11(2-13,3-14)4-15/h13-17H,2-9H2,1H3",C12H24O8,,,,,,POEQOUHHEZELIV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.583,266-661-4,67355-38-8,"3,5,5-trimethylhexyl formate","3,5,5-trimethylhexyl formate",CC(CCOC=O)CC(C)(C)C,CC(CCOC=O)CC(C)(C)C,"InChI=1/C10H20O2/c1-9(5-6-12-8-11)7-10(2,3)4/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,MMANPPDMMOUQIX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.588,266-667-7,67362-28-1,Dicyclohexylammonium 3-[3-(acetylthio)-2-methylpropionyl]thiazolidine-4-carboxylate,"N-cyclohexylcyclohexanaminium 3-[3-(acetylsulfanyl)-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylate",CC(CSC(=O)C)C(=O)N1CSCC1C(=O)[O-].C2CCC(CC2)[NH2+]C3CCCCC3,CC(CSC(=O)C)C(=O)N1CSCC1C(=O)[O-].C2CCC(CC2)[NH2+]C3CCCCC3,"InChI=1/C12H23N.C10H15NO4S2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(3-17-7(2)12)9(13)11-5-16-4-8(11)10(14)15/h11-13H,1-10H2;6,8H,3-5H2,1-2H3,(H,14,15)",C12H23N.C10H15NO4S2,,,,,,XGZWTNNVXGQEAT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.593,266-672-4,67380-44-3,"9,10-bis(allyloxy)-4,4-diethoxy-3,8,11-trioxa-4-silatetradec-13-ene","9,10-bis(allyloxy)-4,4-diethoxy-3,8,11-trioxa-4-silatetradec-13-ene",CCO[Si](CCCOC(OCC=C)C(OCC=C)OCC=C)(OCC)OCC,CCO[Si](CCCOC(OCC=C)C(OCC=C)OCC=C)(OCC)OCC,"InChI=1/C20H38O7Si/c1-7-14-21-19(22-15-8-2)20(23-16-9-3)24-17-13-18-28(25-10-4,26-11-5)27-12-6/h7-9,19-20H,1-3,10-18H2,4-6H3",C20H38O7Si,,,,,,OJYVSVFMSBTURN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.594,266-674-5,67384-24-1,"(5a,8a,9a)-2-chloro-5,8,9,10-tetrahydro-5,9-methanobenzocycloocten-8-ylammonium chloride","2-chloro-5,8,9,10-tetrahydro-5,9-methanobenzo[8]annulen-8-aminium chloride",[Cl-].[NH3+][C@H]1C=C[C@H]2C[C@@H]1Cc3cc(Cl)ccc23,[Cl-].[NH3+][C@H]1C=C[C@H]2C[C@@H]1Cc3cc(Cl)ccc23,"InChI=1/C13H14ClN.ClH/c14-11-2-3-12-8-1-4-13(15)10(5-8)6-9(12)7-11;/h1-4,7-8,10,13H,5-6,15H2;1H",C13H14ClN.ClH,,,,,,AVVSOBGTJTTZKQ-SYZAXYKSSA-N,,,,,,,,,,,
100.060.595,266-675-0,67384-25-2,"(5a,8a,9a)-5,8,9,10-tetrahydro-5,9-methanobenzocycloocten-8-ylammonium chloride","5,8,9,10-tetrahydro-5,9-methanobenzo[8]annulen-8-aminium chloride",[Cl-].[NH3+][C@H]1C=C[C@H]2C[C@@H]1Cc3ccccc23,[Cl-].[NH3+][C@H]1C=C[C@H]2C[C@@H]1Cc3ccccc23,"InChI=1/C13H15N.ClH/c14-13-6-5-10-8-11(13)7-9-3-1-2-4-12(9)10;/h1-6,10-11,13H,7-8,14H2;1H",C13H15N.ClH,,,,,,FTKXWCQSVJPWPZ-SQRKDXEHSA-N,,,,,,,,,,,
100.060.600,266-680-8,67400-54-8,"4,5-dihydro-2-[(2,3-dimethylphenoxy)methyl]-1H-imidazole","2-[(2,3-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole",Cc1cccc(OCC2=NCCN2)c1C,Cc1cccc(OCC2=NCCN2)c1C,"InChI=1/C12H16N2O/c1-9-4-3-5-11(10(9)2)15-8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)",C12H16N2O,,,,,,WAAAGQHQBWTGTM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.592,261-171-7,58223-34-0,"(E,E)-(±)-3,7,11-trimethyldodeca-2,4-dienoyl chloride","3,7,11-trimethyldodeca-2,4-dienoyl chloride",CC(C)CCCC(C)CC=CC(=CC(=O)Cl)C,CC(C)CCCC(C)CC=CC(=CC(=O)Cl)C,"InChI=1/C15H25ClO/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6,10-13H,5,7-9H2,1-4H3",C15H25ClO,,,,,,VWEIERGTXCMKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.593,261-172-2,58226-73-6,4-dodecyl-4-methylmorpholinium methyl sulphate,4-dodecyl-4-methylmorpholin-4-ium methyl sulfate,CCCCCCCCCCCC[N+]1(C)CCOCC1.COS(=O)(=O)[O-],CCCCCCCCCCCC[N+]1(C)CCOCC1.COS(=O)(=O)[O-],"InChI=1/C17H36NO.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-18(2)14-16-19-17-15-18;1-5-6(2,3)4/h3-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C17H36NO.CH3O4S,,,,,,ZODQGBRGPZSUOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.055.594,261-173-8,58230-69-6,N-(4-amino-o-tolyl)-4-chlorophthalimide,"2-(4-amino-2-methylphenyl)-5-chloro-1H-isoindole-1,3(2H)-dione",Cc1cc(N)ccc1N2C(=O)c3ccc(Cl)cc3C2=O,Cc1cc(N)ccc1N2C(=O)c3ccc(Cl)cc3C2=O,"InChI=1/C15H11ClN2O2/c1-8-6-10(17)3-5-13(8)18-14(19)11-4-2-9(16)7-12(11)15(18)20/h2-7H,17H2,1H3",C15H11ClN2O2,,,,,,LIVAQMJLPOCEMO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.597,261-176-4,58237-07-3,"Sodium O,O'-diisopentyl dithiophosphate","sodium O,O-bis(3-methylbutyl) dithiophosphate",CC(C)CCOP(=S)(OCCC(C)C)S[Na],CC(C)CCOP(=S)(OCCC(C)C)S[Na],"InChI=1/C10H23O2PS2.Na/c1-9(2)5-7-11-13(14,15)12-8-6-10(3)4;/h9-10H,5-8H2,1-4H3,(H,14,15);/q;+1/p-1/rC10H22NaO2PS2/c1-9(2)5-7-12-14(15,16-11)13-8-6-10(3)4/h9-10H,5-8H2,1-4H3",C10H23O2PS2.Na,,,,,,XXCCIECCJZSNGT-UHFFFAOYSA-M,,,,,,,,,,,
100.055.599,261-179-0,58239-72-8,"Dihydro-3-(isooctadecenyl)furan-2,5-dione","3-(16-methylheptadec-10-en-1-yl)dihydrofuran-2,5-dione",CC(C)CCCCC=CCCCCCCCCCC1CC(=O)OC1=O,CC(C)CCCCC=CCCCCCCCCCC1CC(=O)OC1=O,"InChI=1/C22H38O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h6,8,19-20H,3-5,7,9-18H2,1-2H3",C22H38O3,,,,,,SJSHEXCFGWSYAD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.604,261-184-8,58249-25-5,"1,2-benzisothiazol-3(2H)-one, sodium salt",-,[Na+].O=C1NSc2ccccc12,[Na+].O=C1NSc2ccccc12,"InChI=1/C7H5NOS.Na/c9-7-5-3-1-2-4-6(5)10-8-7;/h1-4H,(H,8,9);/q;+1",C7H5NOS.Na,,,,,,CFMIJCAMTQLSTM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.827,241-627-1,17642-18-1,Methyl 2-bromo-2-butenoate,methyl 2-bromobut-2-enoate,BrC(=CC)C(=O)OC,BrC(=CC)C(=O)OC,"InChI=1/C5H7BrO2/c1-3-4(6)5(7)8-2/h3H,1-2H3",C5H7BrO2,,,,,,DMKWWKUPZZAUQL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.828,241-628-7,17647-74-4,"1,4-dioxane-[2LH8]","1,4-dioxane",C1COCCO1,C1COCCO1,InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,C4D8O2,,,,,,RYHBNJHYFVUHQT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.835,241-636-0,17654-88-5,"3-phenyl-1,3,4-thiadiazolidine-2,5-dithione","3-phenyl-1,3,4-thiadiazolidine-2,5-dithione",S=C1NN(C(=S)S1)c2ccccc2,S=C1NN(C(=S)S1)c2ccccc2,"InChI=1/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)",C8H6N2S3,,,,,,JRFUIXXCQSIOEB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.837,241-638-1,17659-78-8,N-isopentyladenosine,N-(3-methylbutyl)adenosine,CC(C)CCNc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,CC(C)CCNc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,"InChI=1/C15H23N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-9,11-12,15,21-23H,3-5H2,1-2H3,(H,16,17,18)",C15H23N5O4,,,,,,AYGMJXUCSYBOMJ-SDBHATRESA-N,,,,,,,,,,,
100.037.842,241-643-9,17670-95-0,"N,N-bis[2-(octylamino)ethyl]glycine","N,N-bis[2-(octylamino)ethyl]glycine",CCCCCCCCNCCN(CCNCCCCCCCC)CC(=O)O,CCCCCCCCNCCN(CCNCCCCCCCC)CC(=O)O,"InChI=1/C22H47N3O2/c1-3-5-7-9-11-13-15-23-17-19-25(21-22(26)27)20-18-24-16-14-12-10-8-6-4-2/h23-24H,3-21H2,1-2H3,(H,26,27)",C22H47N3O2,,,,,,RTHZICFVEFQDCR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.844,241-646-5,17671-27-1,Docosyl docosanoate,docosyl docosanoate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C44H88O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3",C44H88O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15767,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.844,NJIMZDGGLTUCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.846,241-648-6,17671-50-0,(carboxymethyl)trimethylammonium dihydrogen citrate,"carboxy-N,N,N-trimethylmethanaminium dihydrogen citrate",C[N+](C)(C)CC(=O)O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],C[N+](C)(C)CC(=O)O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.C5H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H2,1-3H3/p-2",C6H7O7.C5H12NO2,,,,,,YKXUOESQDCXGIW-UHFFFAOYSA-L,,,,,,,,,,,
100.037.847,241-649-1,17671-52-2,Betaine tartrate,-,C[N+](C)(C)CC(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],C[N+](C)(C)CC(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C5H11NO2.C4H6O6/c1-6(2,3)4-5(7)8;5-1(3(7)8)2(6)4(9)10/h4H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/p-2",C5H11NO2.xC4H6O6,,,,,,LKAOQCIAIYQGFG-UHFFFAOYSA-L,,,,,,,,,,,
100.037.851,241-653-3,17673-53-9,"Octadecyl (9Z,12Z)-octadeca-9,12-dienoate","octadecyl octadeca-9,12-dienoate",CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20H,3-11,13,15-17,19,21-35H2,1-2H3",C36H68O2,,,,,,XRHTZVUDPQWCBD-MLWYYCKJSA-N,,,,,,,,,,,
100.037.857,241-660-1,17676-33-4,"Spirosta-5,25(27)-diene-1ß,3ß-diol","spirosta-5,25(27)-dien-1,3-diol",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]16CCC(=C)CO6,C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]16CCC(=C)CO6,"InChI=1/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3",C27H40O4,,,,,,ALTRINCJVPIQNK-NHIXJPGBSA-N,,,,,,,,,,,
100.037.858,241-661-7,17677-15-5,1-chloro-3-(dodecyloxy)propan-2-ol,1-chloro-3-(dodecyloxy)propan-2-ol,CCCCCCCCCCCCOCC(O)CCl,CCCCCCCCCCCCOCC(O)CCl,"InChI=1/C15H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15,17H,2-14H2,1H3",C15H31ClO2,,,,,,BYAAUZDTUKVBDS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.860,241-663-8,17681-50-4,"Tetrasodium 5-(benzoylamino)-3-[[5-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","tetrasodium 5-(benzoylamino)-3-{[5-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc1ccc(cc1)S([O-])(=O)=O)nc(Nc5ccc(c(N=Nc4c(cc3cc(cc(NC(=O)c2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5)S([O-])(=O)=O)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc1ccc(cc1)S([O-])(=O)=O)nc(Nc5ccc(c(N=Nc4c(cc3cc(cc(NC(=O)c2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5)S([O-])(=O)=O)n6,"InChI=1/C32H23ClN8O14S4.4Na/c33-30-37-31(34-18-6-9-20(10-7-18)56(44,45)46)39-32(38-30)35-19-8-11-24(58(50,51)52)22(14-19)40-41-27-25(59(53,54)55)13-17-12-21(57(47,48)49)15-23(26(17)28(27)42)36-29(43)16-4-2-1-3-5-16;;;;/h1-15,42H,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,34,35,37,38,39);;;;/q;4*+1/p-4",C32H23ClN8O14S4.4Na,,,,,,NUZJNUDPZLPKAR-UHFFFAOYSA-J,,,,,,,,,,,
100.037.869,241-673-2,17687-72-8,9-octylheptadecane-9-ol,9-octylheptadecan-9-ol,CCCCCCCCC(O)(CCCCCCCC)CCCCCCCC,CCCCCCCCC(O)(CCCCCCCC)CCCCCCCC,"InChI=1/C25H52O/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h26H,4-24H2,1-3H3",C25H52O,,,,,,GIJUBRUJCGBQEM-UHFFFAOYSA-N,,,,,,,,,,,
100.035.108,238-635-2,14590-38-6,Strontium selenite,strontium selenite,[Sr+2].[O-][Se](=O)[O-],[Sr+2].[O-][Se](=O)[O-],"InChI=1/H2O3Se.Sr/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2",H2O3Se.Sr,,,,,,SGSLDHYJLPFSOW-UHFFFAOYSA-L,,,,,,,,,,,
100.060.557,266-633-1,67287-53-0,"6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine","6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine",COc1ccc(cc1)C2CNCCc3c(Cl)c(OC)c(OC)cc23,COc1ccc(cc1)C2CNCCc3c(Cl)c(OC)c(OC)cc23,"InChI=1/C19H22ClNO3/c1-22-13-6-4-12(5-7-13)16-11-21-9-8-14-15(16)10-17(23-2)19(24-3)18(14)20/h4-7,10,16,21H,8-9,11H2,1-3H3",C19H22ClNO3,,,,,,MYTZRTXHMVXREA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.558,266-634-7,67287-54-1,"6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(4-hydroxyphenyl)-1H-3-benzazepinium bromide","6-chloro-7,8-dihydroxy-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide",[Br-].Oc1ccc(cc1)C2C[NH2+]CCc3c(Cl)c(O)c(O)cc23,[Br-].Oc1ccc(cc1)C2C[NH2+]CCc3c(Cl)c(O)c(O)cc23,"InChI=1/C16H16ClNO3.BrH/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;/h1-4,7,13,18-21H,5-6,8H2;1H",C16H16ClNO3.BrH,,,,,,DSGOSRLTVBPLCU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.559,266-635-2,67296-21-3,N-[(dimethylamino)propyl]methacrylamide,N-[1-(dimethylamino)propyl]-2-methylacrylamide,CCC(NC(=O)C(=C)C)N(C)C,CCC(NC(=O)C(=C)C)N(C)C,"InChI=1/C9H18N2O/c1-6-8(11(4)5)10-9(12)7(2)3/h8H,2,6H2,1,3-5H3,(H,10,12)",C9H18N2O,,,,,,RIDZYAFATUPRFW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.561,266-637-3,67304-25-0,Benzyl(3-chloro-2-hydroxypropyl)dimethylammonium chloride,"N-benzyl-3-chloro-2-hydroxy-N,N-dimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(CC(O)CCl)Cc1ccccc1,[Cl-].C[N+](C)(CC(O)CCl)Cc1ccccc1,"InChI=1/C12H19ClNO.ClH/c1-14(2,10-12(15)8-13)9-11-6-4-3-5-7-11;/h3-7,12,15H,8-10H2,1-2H3;1H/q+1;/p-1",C12H19ClNO.Cl,,,,,,AAZVLNHLLNLZEE-UHFFFAOYSA-M,,,,,,,,,,,
100.060.571,266-648-3,67338-59-4,"4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzenesulphonamide","4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzenesulfonamide",CCOc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N(C)C)cc1,CCOc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N(C)C)cc1,"InChI=1/C16H19N3O5S/c1-4-24-13-7-5-12(6-8-13)17-15-10-9-14(11-16(15)19(20)21)25(22,23)18(2)3/h5-11,17H,4H2,1-3H3",C16H19N3O5S,,,,,,SIFKXZAVMBSRMB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.549,261-124-0,58104-35-1,2-[[4-[(2-cyanoethyl)methylamino]phenyl]azo]-N-cyclohexylbenzenesulphonamide,2-({4-[(2-cyanoethyl)(methyl)amino]phenyl}diazenyl)-N-cyclohexylbenzenesulfonamide,O=S(=O)(NC1CCCCC1)c3ccccc3N=Nc2ccc(cc2)N(C)CCC#N,O=S(=O)(NC1CCCCC1)c3ccccc3N=Nc2ccc(cc2)N(C)CCC#N,"InChI=1/C22H27N5O2S/c1-27(17-7-16-23)20-14-12-18(13-15-20)24-25-21-10-5-6-11-22(21)30(28,29)26-19-8-3-2-4-9-19/h5-6,10-15,19,26H,2-4,7-9,17H2,1H3",C22H27N5O2S,,,,,,XIILVEDWEWLFPP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.558,261-134-5,58109-40-3,Diphenyliodonium hexafluorophosphate,diphenyliodonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.[I+](c1ccccc1)c2ccccc2,F[P-](F)(F)(F)(F)F.[I+](c1ccccc1)c2ccccc2,"InChI=1/C12H10I.F6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2,3,4,5)6/h1-10H;/q+1;-1",C12H10I.F6P,,,,,,DSSRLRJACJENEU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.560,261-136-6,58117-53-6,"Benzyl (S)-(5,6-diamino-6-oxohexyl)carbamate monohydrochloride",N~6~-[(benzyloxy)carbonyl]-L-lysinamide hydrochloride,Cl.N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N,Cl.N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N,"InChI=1/C14H21N3O3.ClH/c15-12(13(16)18)8-4-5-9-17-14(19)20-10-11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19);1H",C14H21N3O3.ClH,,,,,,QSRGTPRDCDSKAY-YDALLXLXSA-N,,,,,,,,,,,
100.055.563,261-139-2,58131-62-7,"2,2,5,5-tetramethylthiazolidine-4-carboxylic acid","2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid",CC1(C)NC(C(=O)O)C(C)(C)S1,CC1(C)NC(C(=O)O)C(C)(C)S1,"InChI=1/C8H15NO2S/c1-7(2)5(6(10)11)9-8(3,4)12-7/h5,9H,1-4H3,(H,10,11)",C8H15NO2S,,,,,,ILJCRVOHKUEEIW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.567,261-143-4,58152-03-7,"(S)-O-6-amino-6-deoxy-a-D-glucopyranosyl-(1<U+2192>4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-ß-L-arabinopyranosyl-(1<U+2192>6)]-1,3-diamino-N1-(3-aminolactoyl)-1,2,3-trideoxy-D-scyllo-inositol","3-amino-N-(5-amino-2-{[4-O-(6-amino-6-deoxyhexopyranosyl)-3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-3,4-dihydroxycyclohexyl)-2-hydroxypropanamide",CNC1C(O)C(OC2C(O)C(O)C(N)CC2NC(=O)C(O)CN)OCC1(C)OC3OC(CN)C(O)C(O)C3O,CNC1C(O)C(OC2C(O)C(O)C(N)CC2NC(=O)C(O)CN)OCC1(C)OC3OC(CN)C(O)C(O)C3O,"InChI=1/C22H43N5O12/c1-22(39-21-15(33)13(31)12(30)10(5-24)37-21)6-36-20(16(34)18(22)26-2)38-17-8(27-19(35)9(28)4-23)3-7(25)11(29)14(17)32/h7-18,20-21,26,28-34H,3-6,23-25H2,1-2H3,(H,27,35)",C22H43N5O12,,,,,,WVUXLNQATJQHLA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.572,261-149-7,58164-93-5,Dilithium mercaptosuccinate,dilithium 2-sulfanylsuccinate,[Li+].[Li+].[O-]C(=O)CC(S)C(=O)[O-],[Li+].[Li+].[O-]C(=O)CC(S)C(=O)[O-],"InChI=1/C4H6O4S.2Li/c5-3(6)1-2(9)4(7)8;;/h2,9H,1H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H6O4S.2Li,,,,,,BLPRYYGZISXPGI-UHFFFAOYSA-L,,,,,,,,,,,
100.055.579,261-157-0,58186-51-9,"N,N-dibenzyl-3'-methyl-2,2'-spirobi[2H-1-benzopyran]-7-amine","N,N-dibenzyl-3'-methyl-2,2'-spirobi[chromen]-7-amine",CC1=Cc2ccccc2OC13Oc4cc(ccc4C=C3)N(Cc5ccccc5)Cc6ccccc6,CC1=Cc2ccccc2OC13Oc4cc(ccc4C=C3)N(Cc5ccccc5)Cc6ccccc6,"InChI=1/C32H27NO2/c1-24-20-28-14-8-9-15-30(28)34-32(24)19-18-27-16-17-29(21-31(27)35-32)33(22-25-10-4-2-5-11-25)23-26-12-6-3-7-13-26/h2-21H,22-23H2,1H3",C32H27NO2,,,,,,ZRJAEUHDMOOYTC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.185,235-416-3,12222-60-5,"Hexasodium 2,2'-[azobis[(2-sulphonato-4,1-phenylene)vinylene(3-sulphonato-4,1-phenylene)]]bis[2H-naphtho[1,2-d]triazole-5-sulphonate]","hexasodium 2,2'-{diazene-1,2-diylbis[(2-sulfonato-4,1-phenylene)ethene-2,1-diyl(3-sulfonato-4,1-phenylene)]}bis(2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonate)",[Na]OS(=O)(=O)c1cc(ccc1C=Cc2ccc(cc2S(=O)(=O)O[Na])n3nc4cc(c5ccccc5c4n3)S(=O)(=O)O[Na])N=Nc6ccc(C=Cc7ccc(cc7S(=O)(=O)O[Na])n8nc9cc(c%10ccccc%10c9n8)S(=O)(=O)O[Na])c(c6)S(=O)(=O)O[Na],[Na]OS(=O)(=O)c1cc(ccc1C=Cc2ccc(cc2S(=O)(=O)O[Na])n3nc4cc(c5ccccc5c4n3)S(=O)(=O)O[Na])N=Nc6ccc(C=Cc7ccc(cc7S(=O)(=O)O[Na])n8nc9cc(c%10ccccc%10c9n8)S(=O)(=O)O[Na])c(c6)S(=O)(=O)O[Na],"InChI=1/C48H32N8O18S6.6Na/c57-75(58,59)41-21-31(17-13-27(41)9-11-29-15-19-33(23-43(29)77(63,64)65)55-51-39-25-45(79(69,70)71)35-5-1-3-7-37(35)47(39)53-55)49-50-32-18-14-28(42(22-32)76(60,61)62)10-12-30-16-20-34(24-44(30)78(66,67)68)56-52-40-26-46(80(72,73)74)36-6-2-4-8-38(36)48(40)54-56;;;;;;/h1-26H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;;;/q;6*+1/p-6/rC48H26N8Na6O18S6/c57-75-81(63,64)41-21-31(17-13-27(41)9-11-29-15-19-33(23-43(29)83(67,68)77-59)55-51-39-25-45(85(71,72)79-61)35-5-1-3-7-37(35)47(39)53-55)49-50-32-18-14-28(42(22-32)82(65,66)76-58)10-12-30-16-20-34(24-44(30)84(69,70)78-60)56-52-40-26-46(86(73,74)80-62)36-6-2-4-8-38(36)48(40)54-56/h1-26H",C48H32N8O18S6.6Na,,,,,,YHNSVZNUHTUJMW-UHFFFAOYSA-H,,,,,,,,,,,
100.032.189,235-421-0,12223-91-5,"5-[[4-[(2,4-dinitrophenyl)amino]phenyl]azo][1,1'-biphenyl]-2-ol","5-({4-[(2,4-dinitrophenyl)amino]phenyl}diazenyl)biphenyl-2-ol",Oc2ccc(cc2c1ccccc1)N=Nc4ccc(Nc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)cc4,Oc2ccc(cc2c1ccccc1)N=Nc4ccc(Nc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)cc4,"InChI=1/C24H17N5O5/c30-24-13-10-19(14-21(24)16-4-2-1-3-5-16)27-26-18-8-6-17(7-9-18)25-22-12-11-20(28(31)32)15-23(22)29(33)34/h1-15,25,30H",C24H17N5O5,,,,,,AMVDKIZZWFHBMC-UHFFFAOYSA-N,,,,,,,,,,,
100.031.338,234-486-2,12006-40-5,Trizinc diarsenide,trizinc diarsenide,[Zn+2].[Zn+2].[Zn+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],[Zn+2].[Zn+2].[Zn+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],"InChI=1/6As2H3.3Zn/c6*1-2;;;/h6*1H,2H2;;;/q6*-1;3*+2",As2Zn3,,,,,,WXKBYQKUMRYBQR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.158,238-690-2,14641-24-8,"3-(2-hydroxyethoxy)propane-1,2-diol","3-(2-hydroxyethoxy)propane-1,2-diol",OCCOCC(O)CO,OCCOCC(O)CO,"InChI=1/C5H12O4/c6-1-2-9-4-5(8)3-7/h5-8H,1-4H2",C5H12O4,,,,,,YHXNHYKKDRMEEH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.169,238-702-6,14655-69-7,"P-ethyl-N,N,N',N'-tetramethylphosphonic diamide","P-ethyl-N,N,N',N'-tetramethylphosphonic diamide",CCP(=O)(N(C)C)N(C)C,CCP(=O)(N(C)C)N(C)C,"InChI=1/C6H17N2OP/c1-6-10(9,7(2)3)8(4)5/h6H2,1-5H3",C6H17N2OP,,,,,,ZBFJXELASZBPBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.170,238-703-1,14656-06-5,"1,1,3,5-tetramethyl-1H-indene","1,1,3,5-tetramethyl-1H-indene",CC1=CC(C)(C)c2ccc(C)cc12,CC1=CC(C)(C)c2ccc(C)cc12,"InChI=1/C13H16/c1-9-5-6-12-11(7-9)10(2)8-13(12,3)4/h5-8H,1-4H3",C13H16,,,,,,OIPWFYHULPYGNG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.172,238-705-2,14660-52-7,Ethyl 5-bromovalerate,ethyl 5-bromopentanoate,CCOC(=O)CCCCBr,CCOC(=O)CCCCBr,"InChI=1/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3",C7H13BrO2,,,,,,AFRWBGJRWRHQOV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.177,238-711-5,14666-96-7,"Cobalt (9Z,12Z)-octadeca-9,12-dienoate","cobalt(2+) dioctadeca-9,12-dienoate",[Co+2].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Co+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.xCo,,,,,,IIGAELMXVLEZPM-GRVYQHKQSA-L,,,,,,,,,,,
100.035.189,238-724-6,14683-61-5,8-quinolyl ß-D-glucopyranosiduronic acid,quinolin-8-yl beta-D-glucopyranosiduronic acid,O[C@H]1[C@H](Oc2cccc3cccnc23)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O,O[C@H]1[C@H](Oc2cccc3cccnc23)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O,"InChI=1/C15H15NO7/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8/h1-6,10-13,15,17-19H,(H,20,21)",C15H15NO7,,,,,,DPEGQJDYRIQRHI-DKBOKBLXSA-N,,,,,,,,,,,
100.042.834,247-133-2,25619-63-0,Dodecylphenoxybenzene,1-dodecyl-2-phenoxybenzene,CCCCCCCCCCCCc1ccccc1Oc2ccccc2,CCCCCCCCCCCCc1ccccc1Oc2ccccc2,"InChI=1/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3",C24H34O,,,,,,LGNQGTFARHLQFB-UHFFFAOYSA-N,,,,,,,,,,,
100.042.836,247-135-3,25621-88-9,"2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]acetamide","2-cyano-2-[3-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)-2,3-dihydro-1H-isoindol-1-ylidene]acetamide",O=C3NC(=O)NC(=O)\\C3=C1\\NC(=C(C#N)C(N)=O)c2ccccc12,O=C3NC(=O)NC(=O)\C3=C1\NC(=C(C#N)C(N)=O)c2ccccc12,"InChI=1/C15H9N5O4/c16-5-8(12(17)21)10-6-3-1-2-4-7(6)11(18-10)9-13(22)19-15(24)20-14(9)23/h1-4,18H,(H2,17,21)(H2,19,20,22,23,24)",C15H9N5O4,,,,,,WNBHIVMDEIIICY-UHFFFAOYSA-N,,,,,,,,,,,
100.042.837,247-136-9,25628-84-6,Methyl 2-[(1-oxopropyl)amino]benzoate,methyl 2-(propionylamino)benzoate,CCC(=O)Nc1ccccc1C(=O)OC,CCC(=O)Nc1ccccc1C(=O)OC,"InChI=1/C11H13NO3/c1-3-10(13)12-9-7-5-4-6-8(9)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13)",C11H13NO3,,,,,,VGXVLVNJSSONHX-UHFFFAOYSA-N,,,,,,,,,,,
100.042.847,247-147-9,25637-97-2,Sucrose dipalmitate,3-O-palmitoyl-beta-D-fructofuranosyl 2-O-palmitoyl-alpha-D-glucopyranoside,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(48)54-41-40(52)38(50)34(31-45)53-43(41)57-44(33-47)42(39(51)35(32-46)56-44)55-37(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-43,45-47,50-52H,3-33H2,1-2H3",C44H82O13,,,,,,ZSWUPJBTOWXUMD-LXCJDVRASA-N,,,,,,,,,,,
100.055.615,261-196-3,58274-32-1,Trichloro[2-[(chloromethyl)phenyl]ethyl]silane,trichloro{2-[2-(chloromethyl)phenyl]ethyl}silane,ClCc1ccccc1CC[Si](Cl)(Cl)Cl,ClCc1ccccc1CC[Si](Cl)(Cl)Cl,"InChI=1/C9H10Cl4Si/c10-7-9-4-2-1-3-8(9)5-6-14(11,12)13/h1-4H,5-7H2",C9H10Cl4Si,,,,,,FXSLEABRPLKKBE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.616,261-197-9,58276-69-0,Trichloro[2-(3-methylphenyl)ethyl]silane,trichloro[2-(3-methylphenyl)ethyl]silane,Cc1cccc(CC[Si](Cl)(Cl)Cl)c1,Cc1cccc(CC[Si](Cl)(Cl)Cl)c1,"InChI=1/C9H11Cl3Si/c1-8-3-2-4-9(7-8)5-6-13(10,11)12/h2-4,7H,5-6H2,1H3",C9H11Cl3Si,,,,,,OCPUPPMBMGVLTB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.624,261-207-1,58306-86-8,Sodium 6-aminonaphthalene-2-sulphonate,sodium 6-aminonaphthalene-2-sulfonate,[Na+].Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-],[Na+].Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,GAWVFEVAFDTXSH-UHFFFAOYSA-M,,,,,,,,,,,
100.058.683,264-570-4,63941-39-9,"Bis[2,2,6,6-tetramethyl-1-(oxoallyl)-4-piperidyl] bis[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]malonate","bis(1-acryloyl-2,2,6,6-tetramethylpiperidin-4-yl) bis(3,5-di-tert-butyl-4-hydroxybenzyl)malonate",CC(C)(C)c1cc(CC(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(C(=O)OC3CC(C)(C)N(C(=O)C=C)C(C)(C)C3)C(=O)OC4CC(C)(C)N(C(=O)C=C)C(C)(C)C4)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CC(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(C(=O)OC3CC(C)(C)N(C(=O)C=C)C(C)(C)C3)C(=O)OC4CC(C)(C)N(C(=O)C=C)C(C)(C)C4)cc(c1O)C(C)(C)C,"InChI=1/C57H86N2O8/c1-23-43(60)58-53(15,16)31-37(32-54(58,17)18)66-47(64)57(29-35-25-39(49(3,4)5)45(62)40(26-35)50(6,7)8,30-36-27-41(51(9,10)11)46(63)42(28-36)52(12,13)14)48(65)67-38-33-55(19,20)59(44(61)24-2)56(21,22)34-38/h23-28,37-38,62-63H,1-2,29-34H2,3-22H3",C57H86N2O8,,,,,,ZVKKVSDZZGHJID-UHFFFAOYSA-N,,,,,,,,,,,
100.058.694,264-583-5,63963-56-4,"1,1'-methylenebis(4-methylpiperidine)","1,1'-methylenebis(4-methylpiperidine)",CC1CCN(CN2CCC(C)CC2)CC1,CC1CCN(CN2CCC(C)CC2)CC1,"InChI=1/C13H26N2/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h12-13H,3-11H2,1-2H3",C13H26N2,,,,,,SZEMDRHYEPQKPT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.706,264-596-6,63995-70-0,"Trisodium 3,3',3''-phosphinetriyltris(benzene-1-sulphonate)","trisodium 3,3',3''-phosphinetriyltribenzenesulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)P(c2cccc(c2)S(=O)(=O)[O-])c3cccc(c3)S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)P(c2cccc(c2)S(=O)(=O)[O-])c3cccc(c3)S(=O)(=O)[O-],"InChI=1/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3",C18H15O9PS3.3Na,,,,,,MYAJTCUQMQREFZ-UHFFFAOYSA-K,,,,,,,,,,,
100.058.708,264-598-7,64001-15-6,"Octahydro-4,7-methano-1H-inden-5-yl acetate","octahydro-1H-4,7-methanoinden-5-yl acetate",CC(=O)OC1CC2CC1C3CCCC23,CC(=O)OC1CC2CC1C3CCCC23,"InChI=1/C12H18O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12H,2-6H2,1H3",C12H18O2,,,,,,YKFHIJHJBUDXFP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.709,264-599-2,64002-83-1,"Manganese bis(3,5,5-trimethylhexanoate)","manganese(2+) bis(3,5,5-trimethylhexanoate)",[Mn+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,[Mn+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/2C9H18O2.Mn/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Mn,,,,,,LAGAXYZHNMVGFB-UHFFFAOYSA-L,,,,,,,,,,,
100.058.715,264-605-3,64018-24-2,"3,3,4,4,5,5,6,6,6-nonafluorohexanoyl chloride","3,3,4,4,5,5,6,6,6-nonafluorohexanoyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)Cl,"InChI=1/C6H2ClF9O/c7-2(17)1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1H2",C6H2ClF9O,,,,,,OSYDIIQLLFZQKP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.619,266-701-0,67490-00-0,"16a-ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione 21-laurate",2-(16-ethyl-3-oxoestr-4-en-17-yl)-2-oxoethyl laurate,CCCCCCCCCCCC(=O)OCC(=O)[C@H]1[C@H](CC)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,CCCCCCCCCCCC(=O)OCC(=O)[C@H]1[C@H](CC)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C34H54O4/c1-4-6-7-8-9-10-11-12-13-14-32(37)38-23-31(36)33-24(5-2)22-30-29-17-15-25-21-26(35)16-18-27(25)28(29)19-20-34(30,33)3/h21,24,27-30,33H,4-20,22-23H2,1-3H3",C34H54O4,,,,,,JOOLBCGLEHQEHM-LKOKKDIWSA-N,,,,,,,,,,,
100.060.622,266-704-7,67494-01-3,4-decenedioic acid,dec-4-enedioic acid,OC(=O)CCC=CCCCCC(O)=O,OC(=O)CCC=CCCCCC(O)=O,"InChI=1/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13,14)",C10H16O4,,,,,,CXGDCGIPEJKSCK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.375,260-932-0,57761-51-0,"[1S-(1a,3ß,6a)]-a,a,6-trimethyl-7-oxabicyclo[4.1.0]heptane-3-methanol",2-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)propan-2-ol,CC(C)(O)C1CCC2(C)OC2C1,CC(C)(O)C1CCC2(C)OC2C1,"InChI=1/C10H18O2/c1-9(2,11)7-4-5-10(3)8(6-7)12-10/h7-8,11H,4-6H2,1-3H3",C10H18O2,,,,,,HSMACHQZLSQBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.376,260-933-6,57761-52-1,"[1R-(1a,3a,6a)]-a,a,6-trimethyl-7-oxabicyclo[4.1.0]heptane-3-methanol",2-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)propan-2-ol,CC(C)(O)C1CCC2(C)OC2C1,CC(C)(O)C1CCC2(C)OC2C1,"InChI=1/C10H18O2/c1-9(2,11)7-4-5-10(3)8(6-7)12-10/h7-8,11H,4-6H2,1-3H3",C10H18O2,,,,,,HSMACHQZLSQBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.115,238-643-6,14602-62-1,"1,1,2-tribromopropane","1,1,2-tribromopropane",CC(Br)C(Br)Br,CC(Br)C(Br)Br,"InChI=1/C3H5Br3/c1-2(4)3(5)6/h2-3H,1H3",C3H5Br3,,,,,,ZLOLQHBVMYXNHX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.116,238-644-1,14607-25-1,p-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-N-(2-chloroethyl)benzenesulphonamide,4-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)-N-(2-chloroethyl)benzenesulfonamide,ClCCNS(=O)(=O)c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)cc2,ClCCNS(=O)(=O)c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)cc2,"InChI=1/C19H25ClN4O4S/c1-15-14-17(24(10-12-25)11-13-26)4-7-19(15)23-22-16-2-5-18(6-3-16)29(27,28)21-9-8-20/h2-7,14,21,25-26H,8-13H2,1H3",C19H25ClN4O4S,,,,,,NTPQPUJVBMNPCW-UHFFFAOYSA-N,,,,,,,,,,,
100.035.118,238-646-2,14610-37-8,N-methyl-tert-butylamine,"N,2-dimethylpropan-2-amine",CNC(C)(C)C,CNC(C)(C)C,"InChI=1/C5H13N/c1-5(2,3)6-4/h6H,1-4H3",C5H13N,,,,,,ZQGJEUVBUVKZKS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.625,240-304-2,16153-27-8,Tetradecyltriethoxysilane,triethoxy(tetradecyl)silane,CCCCCCCCCCCCCC[Si](OCC)(OCC)OCC,CCCCCCCCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1/C20H44O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-24(21-6-2,22-7-3)23-8-4/h5-20H2,1-4H3",C20H44O3Si,,,,,,SVKDNKCAGJVMMY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.628,240-307-9,16154-78-2,"2,3,3a,4,5,6-hexahydro-8-methyl-1H-pyrazino[3,2,1-jk]carbazole monohydrochloride","8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole hydrochloride",Cl.Cc1ccc2c(c1)c3CCCC4NCCn2c34,Cl.Cc1ccc2c(c1)c3CCCC4NCCn2c34,"InChI=1/C15H18N2.ClH/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13;/h5-6,9,13,16H,2-4,7-8H2,1H3;1H",C15H18N2.ClH,,,,,,LIFOOCLGAAEVIF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.630,240-310-5,16169-22-5,"1,3-bis(2-propynyloxy)propan-2-ol","1,3-bis(prop-2-yn-1-yloxy)propan-2-ol",OC(COCC#C)COCC#C,OC(COCC#C)COCC#C,"InChI=1/C9H12O3/c1-3-5-11-7-9(10)8-12-6-4-2/h1-2,9-10H,5-8H2",C9H12O3,,,,,,RKPDVCWTSQFIPR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.632,240-312-6,16171-74-7,"N,N'-dioctyl-N-[2-(octylamino)ethyl]ethylenediamine","N,N'-dioctyl-N-[2-(octylamino)ethyl]ethane-1,2-diamine",CCCCCCCCNCCN(CCCCCCCC)CCNCCCCCCCC,CCCCCCCCNCCN(CCCCCCCC)CCNCCCCCCCC,"InChI=1/C28H61N3/c1-4-7-10-13-16-19-22-29-24-27-31(26-21-18-15-12-9-6-3)28-25-30-23-20-17-14-11-8-5-2/h29-30H,4-28H2,1-3H3",C28H61N3,,,,,,RFINSRZFFYSEDU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.636,240-316-8,16179-97-8,2-carboxymethylpyridinium chloride,2-(carboxymethyl)pyridinium chloride,[Cl-].OC(=O)Cc1cccc[nH+]1,[Cl-].OC(=O)Cc1cccc[nH+]1,"InChI=1/C7H7NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);1H",C7H7NO2.ClH,,,,,,MQVISALTZUNQSK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.637,240-317-3,16180-96-4,2-acetamidoethyl acetate,2-acetamidoethyl acetate,CC(=O)NCCOC(=O)C,CC(=O)NCCOC(=O)C,"InChI=1/C6H11NO3/c1-5(8)7-3-4-10-6(2)9/h3-4H2,1-2H3,(H,7,8)",C6H11NO3,,,,,,SKPWGBMKZNVXFF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.641,240-322-0,16187-90-9,3-imino-3-phenylpropionitrile,3-imino-3-phenylpropanenitrile,N=C(CC#N)c1ccccc1,N=C(CC#N)c1ccccc1,"InChI=1/C9H8N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,11H,6H2",C9H8N2,,,,,,MKPPZAOYAOGVLX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.644,240-325-7,16195-87-2,(E)-2-decen-4-yn-1-ol,dec-2-en-4-yn-1-ol,CCCCCC#C\\C=C\\CO,CCCCCC#C\C=C\CO,"InChI=1/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-5,10H2,1H3",C10H16O,,,,,,OSEIVOVZCSBRQO-CMDGGOBGSA-N,,,,,,,,,,,
100.036.648,240-329-9,16199-90-9,2-(hexahydro-1H-azepin-1-yl)ethyl a-cyclohexylthiophen-2-acetate hydrochloride,2-azepan-1-ylethyl cyclohexyl(2-thienyl)acetate hydrochloride,Cl.O=C(OCCN1CCCCCC1)C(C2CCCCC2)c3cccs3,Cl.O=C(OCCN1CCCCCC1)C(C2CCCCC2)c3cccs3,"InChI=1/C20H31NO2S.ClH/c22-20(23-15-14-21-12-6-1-2-7-13-21)19(18-11-8-16-24-18)17-9-4-3-5-10-17;/h8,11,16-17,19H,1-7,9-10,12-15H2;1H",C20H31NO2S.ClH,,,,,,GPVHNKKIONSRGW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.649,240-330-4,16201-96-0,"1-[4-(phenylazo)phenyl]-1H-pyrrole-2,5-dione","1-[4-(phenyldiazenyl)phenyl]-1H-pyrrole-2,5-dione",O=C3/C=C\\C(=O)N3c2ccc(N=Nc1ccccc1)cc2,O=C3/C=C\C(=O)N3c2ccc(N=Nc1ccccc1)cc2,InChI=1/C16H11N3O2/c20-15-10-11-16(21)19(15)14-8-6-13(7-9-14)18-17-12-4-2-1-3-5-12/h1-11H,C16H11N3O2,,,,,,DVNPYLMPVFDKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.655,240-337-2,16208-51-8,Dimesna,"disodium 2,2'-disulfanediyldiethanesulfonate",[Na+].[Na+].[O-]S(=O)(=O)CCSSCCS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)CCSSCCS(=O)(=O)[O-],"InChI=1/C4H10O6S4.2Na/c5-13(6,7)3-1-11-12-2-4-14(8,9)10;;/h1-4H2,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2",C4H10O6S4.2Na,,,,,,KQYGMURBTJPBPQ-UHFFFAOYSA-L,,,,,,,,,,,
100.034.725,238-214-3,14290-86-9,(E)-p-fluorocinnamic acid,3-(4-fluorophenyl)acrylic acid,OC(=O)\\C=C\\c1ccc(F)cc1,OC(=O)\C=C\c1ccc(F)cc1,"InChI=1/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)",C9H7FO2,,,,,,ISMMYAZSUSYVQG-ZZXKWVIFSA-N,,,,,,,,,,,
100.034.727,238-216-4,14293-44-8,Xipamide,"4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide",Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(=O)(=O)N,Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(=O)(=O)N,"InChI=1/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)",C15H15ClN2O4S,,,,,,MTZBBNMLMNBNJL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.580,261-158-6,58186-56-4,"N,N-diethylspiro[2H-1-benzopyran-2,3'-[3H]naphtho[2,1-b]pyran]-7-amine","N,N-diethylspiro[benzo[f]chromene-3,2'-chromen]-7'-amine",CCN(CC)c1ccc2C=CC3(Oc4ccc5ccccc5c4C=C3)Oc2c1,CCN(CC)c1ccc2C=CC3(Oc4ccc5ccccc5c4C=C3)Oc2c1,"InChI=1/C25H23NO2/c1-3-26(4-2)20-11-9-19-13-15-25(28-24(19)17-20)16-14-22-21-8-6-5-7-18(21)10-12-23(22)27-25/h5-17H,3-4H2,1-2H3",C25H23NO2,,,,,,BOGTVUXFYUTKBK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.583,261-161-2,58197-53-8,Cobalt(2+) acrylate,cobalt(2+) diacrylate,[Co+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Co+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Co/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Co,,,,,,IRBDRMFJBYHCEO-UHFFFAOYSA-L,,,,,,,,,,,
100.055.584,261-162-8,58200-75-2,"Potassium 2,3,5,6-tetrachlorophenolate","potassium 2,3,5,6-tetrachlorophenolate",[K+].[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl,[K+].[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl,"InChI=1/C6H2Cl4O.K/c7-2-1-3(8)5(10)6(11)4(2)9;/h1,11H;/q;+1/p-1",C6H2Cl4O.K,,,,,,QGVXBMQFCSRLHA-UHFFFAOYSA-M,,,,,,,,,,,
100.055.587,261-165-4,58206-95-4,"(S)-a,a,4-trimethylcyclohex-3-ene-1-methyl acetate",1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate,CC(=O)OC(C)(C)C1CCC(=CC1)C,CC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,,,,,,IGODOXYLBBXFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.588,261-167-5,58208-71-2,Trichlorobenzyl alcohol,"(2,3,4-trichlorophenyl)methanol",OCc1ccc(Cl)c(Cl)c1Cl,OCc1ccc(Cl)c(Cl)c1Cl,"InChI=1/C7H5Cl3O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2,11H,3H2",C7H5Cl3O,,,,,,JBPHHMDTDHMBQN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.646,264-530-6,63870-36-0,"N-[7-[[4-(decyloxy)phenyl]azo]-3,6-bis[(ethylamino)sulphonyl]-8-hydroxy-1-naphthyl]acetamide","N-[7-{[4-(decyloxy)phenyl]diazenyl}-3,6-bis(ethylsulfamoyl)-8-hydroxy-1-naphthyl]acetamide",CCNS(=O)(=O)c3cc1cc(cc(NC(C)=O)c1c(O)c3N=Nc2ccc(OCCCCCCCCCC)cc2)S(=O)(=O)NCC,CCNS(=O)(=O)c3cc1cc(cc(NC(C)=O)c1c(O)c3N=Nc2ccc(OCCCCCCCCCC)cc2)S(=O)(=O)NCC,"InChI=1/C32H45N5O7S2/c1-5-8-9-10-11-12-13-14-19-44-26-17-15-25(16-18-26)36-37-31-29(46(42,43)34-7-3)21-24-20-27(45(40,41)33-6-2)22-28(35-23(4)38)30(24)32(31)39/h15-18,20-22,33-34,39H,5-14,19H2,1-4H3,(H,35,38)",C32H45N5O7S2,,,,,,NHGVHUVNLBETNN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.651,264-535-3,63870-47-3,"3-ethyl-4,5-dihydro-5-(3-methylthiazolidin-2-ylidene)-2-(methylthio)-4-oxothiazolium toluene-p-sulphonate","3-ethyl-2-(methylsulfanyl)-5-(3-methyl-1,3-thiazolidin-2-ylidene)-4-oxo-4,5-dihydro-1,3-thiazol-3-ium 4-methylbenzenesulfonate",CN2CCSC2=C1S/C(SC)=[N+](/CC)C1=O.[O-]S(=O)(=O)c1ccc(C)cc1,CN2CCSC2=C1S/C(SC)=[N+](/CC)C1=O.[O-]S(=O)(=O)c1ccc(C)cc1,"InChI=1/C10H15N2OS3.C7H8O3S/c1-4-12-8(13)7(16-10(12)14-3)9-11(2)5-6-15-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C10H15N2OS3.C7H7O3S,,,,,,NVXIKCSOINRPAD-UHFFFAOYSA-M,,,,,,,,,,,
100.058.652,264-536-9,63870-48-4,1-ethyl-2-[(3-ethyl-3H-benzoselenazol-2-ylidene)methyl]-6-methylquinolinium iodide,"1-ethyl-2-[(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]-6-methylquinolinium iodide",[I-].CC[n+]3c4ccc(C)cc4ccc3C=C2[Se]c1ccccc1N2CC,[I-].CC[n+]3c4ccc(C)cc4ccc3C=C2[Se]c1ccccc1N2CC,"InChI=1/C22H23N2Se.HI/c1-4-23-18(12-11-17-14-16(3)10-13-19(17)23)15-22-24(5-2)20-8-6-7-9-21(20)25-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1",C22H23N2Se.I,,,,,,RKVHOXAJXCFFTN-UHFFFAOYSA-M,,,,,,,,,,,
100.058.654,264-539-5,63870-55-3,"2-[2-[[3-(2-carboxyethyl)-6-methoxy-3H-benzothiazol-2-ylidene]methyl]-1-butenyl]-1-methylnaphtho[1,2-d]thiazolium iodide","2-(2-{[3-(2-carboxyethyl)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-1-methylnaphtho[1,2-d][1,3]thiazol-1-ium iodide",[I-].C[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2Sc1cc(ccc1N2CCC(O)=O)OC,[I-].C[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2Sc1cc(ccc1N2CCC(O)=O)OC,"InChI=1/C28H26N2O3S2.HI/c1-4-18(15-25-29(2)28-21-8-6-5-7-19(21)9-12-23(28)34-25)16-26-30(14-13-27(31)32)22-11-10-20(33-3)17-24(22)35-26;/h5-12,15-17H,4,13-14H2,1-3H3;1H",C28H27N2O3S2.I,,,,,,CCNCXJODMKBCDS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.668,264-554-7,63905-22-6,"3-(2-allylphenoxy)propane-1,2-diol","3-(2-allylphenoxy)propane-1,2-diol",OCC(O)COc1ccccc1CC=C,OCC(O)COc1ccccc1CC=C,"InChI=1/C12H16O3/c1-2-5-10-6-3-4-7-12(10)15-9-11(14)8-13/h2-4,6-7,11,13-14H,1,5,8-9H2",C12H16O3,,,,,,NRIXNDFJJSOBCR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.676,264-563-6,63919-07-3,2-ethylthiazolidinecarboxylic acid,"2-ethyl-1,3-thiazolidine-2-carboxylic acid",CCC1(NCCS1)C(=O)O,CCC1(NCCS1)C(=O)O,"InChI=1/C6H11NO2S/c1-2-6(5(8)9)7-3-4-10-6/h7H,2-4H2,1H3,(H,8,9)",C6H11NO2S,,,,,,FJIQTPGTRICJON-UHFFFAOYSA-N,,,,,,,,,,,
100.060.589,266-668-2,67362-76-9,2-butoxyethyl 4-(dimethylamino)benzoate,2-butoxyethyl 4-(dimethylamino)benzoate,CCCCOCCOC(=O)c1ccc(cc1)N(C)C,CCCCOCCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C15H23NO3/c1-4-5-10-18-11-12-19-15(17)13-6-8-14(9-7-13)16(2)3/h6-9H,4-5,10-12H2,1-3H3",C15H23NO3,,,,,,PAAVDLDRAZEFGW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.596,266-676-6,67385-21-1,"2,2-bis[(allyloxy)methyl]butyl acetate","2,2-bis[(allyloxy)methyl]butyl acetate",CCC(COCC=C)(COCC=C)COC(=O)C,CCC(COCC=C)(COCC=C)COC(=O)C,"InChI=1/C14H24O4/c1-5-8-16-10-14(7-3,11-17-9-6-2)12-18-13(4)15/h5-6H,1-2,7-12H2,3-4H3",C14H24O4,,,,,,FTSUUEFAMCQXNR-UHFFFAOYSA-N,,,,,,,,,,,
100.042.849,247-150-5,25638-17-9,Sodium butylnaphthalenesulphonate,sodium 2-butylnaphthalene-1-sulfonate,[Na+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-],[Na+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C14H16O3S.Na/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;+1/p-1",C14H16O3S.Na,,,,,,AFTOVGIFYVNBID-UHFFFAOYSA-M,,,,,,,,,,,
100.042.851,247-152-6,25639-42-3,Methylcyclohexanol,1-methylcyclohexanol,CC1(O)CCCCC1,CC1(O)CCCCC1,"InChI=1/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3",C7H14O,,,,,,VTBOTOBFGSVRMA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.862,247-164-1,25651-76-7,5-[1-methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{5-[1-methyl-2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",CC(C=C1SCCN1C)=C2SC(=S)N(CC(O)=O)C2=O,CC(C=C1SCCN1C)=C2SC(=S)N(CC(O)=O)C2=O,"InChI=1/C12H14N2O3S3/c1-7(5-8-13(2)3-4-19-8)10-11(17)14(6-9(15)16)12(18)20-10/h5H,3-4,6H2,1-2H3,(H,15,16)",C12H14N2O3S3,,,,,,LNKNWPNGZMWPFA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.868,247-170-4,25664-81-7,"Disodium p-[4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 4-{4-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,"InChI=1/C20H22N4O11S3.2Na/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H22N4O11S3.2Na,,,,,,VMRASBDRVJTOLR-UHFFFAOYSA-L,,,,,,,,,,,
100.042.872,247-175-1,25666-61-9,"Adipic acid, potassium salt",potassium 5-carboxypentanoate,[K+].OC(=O)CCCCC(=O)[O-],[K+].OC(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.K/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-1",C6H10O4.xK,,,,,,WXRGTYANXHSUOX-UHFFFAOYSA-M,,,,,,,,,,,
100.042.873,247-176-7,25670-43-3,N-amidino-6-chloro-3-[(cyclopropylmethyl)amino]pyrazinecarboxamide,N-carbamimidoyl-6-chloro-3-[(cyclopropylmethyl)amino]pyrazine-2-carboxamide,NC(=N)NC(=O)c1nc(Cl)cnc1NCC2CC2,NC(=N)NC(=O)c1nc(Cl)cnc1NCC2CC2,"InChI=1/C10H13ClN6O/c11-6-4-15-8(14-3-5-1-2-5)7(16-6)9(18)17-10(12)13/h4-5H,1-3H2,(H,14,15)(H4,12,13,17,18)",C10H13ClN6O,,,,,,OSUKTVSLIHVJKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.500,242-366-6,18479-68-0,"ß,4-dimethylcyclohex-3-ene-1-ethanol",2-(4-methylcyclohex-3-en-1-yl)propan-1-ol,CC(CO)C1CCC(=CC1)C,CC(CO)C1CCC(=CC1)C,"InChI=1/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3",C10H18O,,,,,,ZTYHGIAOVUPAAH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.501,242-367-1,18480-07-4,Strontium hydroxide,strontium dihydroxide,[OH-].[OH-].[Sr+2],[OH-].[OH-].[Sr+2],InChI=1/2H2O.Sr/h2*1H2;/q;;+2/p-2,H2O2Sr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13438,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.501,UUCCCPNEFXQJEL-UHFFFAOYSA-L,,,,,,,,,,,
100.032.239,235-476-0,12239-87-1,Copper chlorophthalocyanine,"[1-chloro-29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper",Clc%10cccc7c%10C/1=N/C9=N/C(=N\\c4n2[Cu]N\\1\\C7=N/C6=N/C(=N\\c2c3ccccc34)c5ccccc56)c8ccccc89,Clc%10cccc7c%10C/1=N/C9=N/C(=N\c4n2[Cu]N\1\C7=N/C6=N/C(=N\c2c3ccccc34)c5ccccc56)c8ccccc89,InChI=1/C32H15ClN8.Cu/c33-23-15-7-14-22-24(23)32-40-30-21-13-6-5-12-20(21)28(38-30)36-26-17-9-2-1-8-16(17)25(34-26)35-27-18-10-3-4-11-19(18)29(37-27)39-31(22)41-32;/h1-15H;/q-2;+2/rC32H15ClCuN8/c33-23-15-7-14-22-24(23)32-40-28-19-11-4-3-10-18(19)26(36-28)38-30-21-13-6-5-12-20(21)29-37-25-16-8-1-2-9-17(16)27(35-25)39-31(22)42(32)34-41(29)30/h1-15H,C32H15ClCuN8,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14765,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.239,KBHMYGKCXJXPNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.032.248,235-486-5,12251-30-8,Aluminium sodium orthosilicate hydrate,aluminum sodium orthosilicate hydrate,O.[Na+].[Al+3].[O-][Si]([O-])([O-])[O-],O.[Na+].[Al+3].[O-][Si]([O-])([O-])[O-],"InChI=1/Al.Na.O4Si.H2O/c;;1-5(2,3)4;/h;;;1H2/q+3;+1;-4;",Al.H4O4Si.xH2O.Na,,,,,,VYYJBUOBVDMVFO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.751,237-141-4,13656-78-5,"17-hydroxy-16ß-methyl-5ß-pregn-9(11)-ene-3,20-dione","17-hydroxy-16-methylpregn-9(11)-ene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)C,C[C@H]1C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)C,"InChI=1/C22H32O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h8,13,15,17,19,25H,5-7,9-12H2,1-4H3",C22H32O3,,,,,,SYVXMCCIFBTGFR-RJZNOWKXSA-N,,,,,,,,,,,
100.031.504,234-668-1,12022-92-3,"Antimony, compound with iron (1:1)",-,[Fe].[Sb],[Fe].[Sb],InChI=1/Fe.Sb/q+2;+3,Fe.Sb,,,,,,PRPNWWVBZXJBKY-UHFFFAOYSA-N,,,,,,,,,,,
100.031.505,234-669-7,12022-93-4,"Antimony, compound with iron (2:1)",-,[Fe].[Sb].[Sb],[Fe].[Sb].[Sb],InChI=1/Fe.2Sb/q+2;2*+3,Fe.Sb,,,,,,SJRXGZQZROAFDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.521,234-687-5,12023-99-3,Gallium trihydroxide,gallium trihydroxide,[OH-].[OH-].[OH-].[Ga+3],[OH-].[OH-].[OH-].[Ga+3],InChI=1/Ga.3H2O/h;3*1H2/q+3;;;/p-3,GaH3O3,,,,,,DNUARHPNFXVKEI-UHFFFAOYSA-K,,,,,,,,,,,
100.055.380,260-937-8,57768-96-4,Sodium 2-hydroxy-3-methylbutyrate,sodium 2-hydroxy-3-methylbutanoate,[Na+].CC(C)C(O)C(=O)[O-],[Na+].CC(C)C(O)C(=O)[O-],"InChI=1/C5H10O3.Na/c1-3(2)4(6)5(7)8;/h3-4,6H,1-2H3,(H,7,8);/q;+1/p-1",C5H10O3.Na,,,,,,CPGHJLCKGBLVMB-UHFFFAOYSA-M,,,,,,,,,,,
100.055.381,260-938-3,57771-08-1,"N,N-dibenzyl-1',3'-dihydro-3',3'-dimethyl-1'-phenylspiro[2H-1-benzopyran-2,2'-(2')indol]-7-amine","N,N-dibenzyl-3',3'-dimethyl-1'-phenyl-1',3'-dihydrospiro[chromene-2,2'-indol]-7-amine",CC1(C)c2ccccc2N(c3ccccc3)C14Oc5cc(ccc5C=C4)N(Cc6ccccc6)Cc7ccccc7,CC1(C)c2ccccc2N(c3ccccc3)C14Oc5cc(ccc5C=C4)N(Cc6ccccc6)Cc7ccccc7,"InChI=1/C38H34N2O/c1-37(2)34-20-12-13-21-35(34)40(32-18-10-5-11-19-32)38(37)25-24-31-22-23-33(26-36(31)41-38)39(27-29-14-6-3-7-15-29)28-30-16-8-4-9-17-30/h3-26H,27-28H2,1-2H3",C38H34N2O,,,,,,BDUJLIUMGNAFFG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.385,260-943-0,57775-26-5,Sultosilic acid,2-hydroxy-5-{[(4-methylphenyl)sulfonyl]oxy}benzenesulfonic acid,Cc1ccc(cc1)S(=O)(=O)Oc2ccc(O)c(c2)S(=O)(=O)O,Cc1ccc(cc1)S(=O)(=O)Oc2ccc(O)c(c2)S(=O)(=O)O,"InChI=1/C13H12O7S2/c1-9-2-5-11(6-3-9)22(18,19)20-10-4-7-12(14)13(8-10)21(15,16)17/h2-8,14H,1H3,(H,15,16,17)",C13H12O7S2,,,,,,SVXZTCUBEFUKRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.387,260-945-1,57775-29-8,Carazolol,1-(9H-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,"InChI=1/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3",C18H22N2O2,,,,,,BQXQGZPYHWWCEB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.394,260-953-5,57781-15-4,Halopredone,"2-bromo-6,9-difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione",CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C(=CC34C)Br)C1CCC2(O)C(=O)CO,CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C(=CC34C)Br)C1CCC2(O)C(=O)CO,"InChI=1/C21H25BrF2O5/c1-18-8-16(27)21(24)11(10(18)3-4-20(18,29)17(28)9-25)5-14(23)12-6-15(26)13(22)7-19(12,21)2/h6-7,10-11,14,16,25,27,29H,3-5,8-9H2,1-2H3",C21H25BrF2O5,,,,,,MYZDPUZXMFCPMU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.395,260-954-0,57781-16-5,"2-bromo-9,11ß-dichloro-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","2-bromo-9,11-dichloro-6-fluoro-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C)Br)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C)Br)OC(=O)C,"InChI=1/C25H28BrCl2FO6/c1-12(30)34-11-21(33)24(35-13(2)31)6-5-14-15-7-18(29)16-8-19(32)17(26)9-23(16,4)25(15,28)20(27)10-22(14,24)3/h8-9,14-15,18,20H,5-7,10-11H2,1-4H3",C25H28BrCl2FO6,,,,,,COPPKORMSHCPRR-HKXOFBAYSA-N,,,,,,,,,,,
100.055.398,260-957-7,57781-53-0,"2-bromo-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)","2-bromo-6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,"InChI=1/C26H30BrFO6/c1-13-8-18-16-9-21(28)19-10-22(31)20(27)11-24(19,4)17(16)6-7-25(18,5)26(13,34-15(3)30)23(32)12-33-14(2)29/h6,10-11,13,16,18,21H,7-9,12H2,1-5H3",C26H30BrFO6,,,,,,YUEHHSDUXVVLBM-WXUUMGDLSA-N,,,,,,,,,,,
100.055.403,260-962-4,57789-28-3,"2-bromo-9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)","2-bromo-6-fluoro-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,"InChI=1/C26H30BrFO7/c1-12-6-15-16-7-19(28)17-8-20(31)18(27)9-23(17,4)26(16)22(35-26)10-24(15,5)25(12,34-14(3)30)21(32)11-33-13(2)29/h8-9,12,15-16,19,22H,6-7,10-11H2,1-5H3",C26H30BrFO7,,,,,,GDCKMIOWCSGXQI-IQLVFYRISA-N,,,,,,,,,,,
100.061.004,267-124-7,67801-04-1,4-[[ethyl(3-methylphenyl)amino]methyl]benzenesulphonic acid,4-{[ethyl(3-methylphenyl)amino]methyl}benzenesulfonic acid,CCN(Cc1ccc(cc1)S(=O)(=O)O)c2cccc(C)c2,CCN(Cc1ccc(cc1)S(=O)(=O)O)c2cccc(C)c2,"InChI=1/C16H19NO3S/c1-3-17(15-6-4-5-13(2)11-15)12-14-7-9-16(10-8-14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)",C16H19NO3S,,,,,,GEGYISULLZOCOD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.013,267-134-1,67801-14-3,"3-(2,6,6-trimethyl-2-cyclohexen-1-yl)methacrylaldehyde","2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)acrylaldehyde",C\\C(=C\\C1C(=CCCC1(C)C)C)\\C=O,C\C(=C\C1C(=CCCC1(C)C)C)\C=O,"InChI=1/C13H20O/c1-10(9-14)8-12-11(2)6-5-7-13(12,3)4/h6,8-9,12H,5,7H2,1-4H3",C13H20O,,,,,,LAGYWBZWJKHOOJ-NTMALXAHSA-N,,,,,,,,,,,
100.058.729,264-621-0,64051-22-5,Diethylammonium bis(2-butoxyethyl) phosphate,N-ethylethanaminium bis(2-butoxyethyl) phosphate,CCCCOCCOP(=O)([O-])OCCOCCCC.CC[NH2+]CC,CCCCOCCOP(=O)([O-])OCCOCCCC.CC[NH2+]CC,"InChI=1/C12H27O6P.C4H11N/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2;1-3-5-4-2/h3-12H2,1-2H3,(H,13,14);5H,3-4H2,1-2H3",C12H27O6P.C4H11N,,,,,,QLJHWPJKQKZSCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.736,264-628-9,64051-37-2,"(1,1,3,3-tetramethylbutyl)phenyl dihydrogen phosphate, compound with diethylamine (1:2)","2-(1,1,3,3-tetramethylbutyl)phenyl dihydrogen phosphate - N-ethylethanamine (1:2)",OP(O)(=O)Oc1ccccc1C(C)(C)CC(C)(C)C.CCNCC.CCNCC,OP(O)(=O)Oc1ccccc1C(C)(C)CC(C)(C)C.CCNCC.CCNCC,"InChI=1/C14H23O4P.2C4H11N/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)18-19(15,16)17;2*1-3-5-4-2/h6-9H,10H2,1-5H3,(H2,15,16,17);2*5H,3-4H2,1-2H3",C14H23O4P.2C4H11N,,,,,,OEOLLSSRUFEDDX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.735,238-225-3,14295-72-8,"3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulphonyl)phenyl]-1H-pyrazole","3-(4-chlorophenyl)-1-[4-(methylsulfonyl)phenyl]-4,5-dihydro-1H-pyrazole",CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-16(18-19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3",C16H15ClN2O2S,,,,,,PEQYZILRIJSUBO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.737,238-227-4,14297-75-7,Dicyclohexylammonium acetate,N-cyclohexylcyclohexanaminium acetate,CC(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2,CC(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2,"InChI=1/C12H23N.C2H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4)",C12H23N.C2H4O2,,,,,,NDZUIBYQGLEFIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.739,238-230-0,14297-87-1,3-O-benzylmorphine,"3-(benzyloxy)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol",CN1CCC23C4Oc5c(OCc6ccccc6)ccc(CC1C2C=CC4O)c35,CN1CCC23C4Oc5c(OCc6ccccc6)ccc(CC1C2C=CC4O)c35,"InChI=1/C24H25NO3/c1-25-12-11-24-17-8-9-19(26)23(24)28-22-20(27-14-15-5-3-2-4-6-15)10-7-16(21(22)24)13-18(17)25/h2-10,17-19,23,26H,11-14H2,1H3",C24H25NO3,,,,,,RDJGWRFTDZZXSM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.741,238-232-1,14298-32-9,Neodymium phosphate,neodymium phosphate,[Nd+3].[O-]P(=O)([O-])[O-],[Nd+3].[O-]P(=O)([O-])[O-],"InChI=1/Nd.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",H3O4P.Nd,,,,,,DZNFWGVDYGAMJB-UHFFFAOYSA-K,,,,,,,,,,,
100.034.745,238-236-3,14300-33-5,Dicyclopropylmethanol,dicyclopropylmethanol,OC(C1CC1)C2CC2,OC(C1CC1)C2CC2,"InChI=1/C7H12O/c8-7(5-1-2-5)6-3-4-6/h5-8H,1-4H2",C7H12O,,,,,,PIXLZMHERIHLJL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.252,239-893-9,15792-43-5,"Disodium 5-(acetylamino)-3-[(4-dodecylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 5-acetamido-3-[(4-dodecylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc2cc(cc3cc(c(N=Nc1ccc(CCCCCCCCCCCC)cc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc2cc(cc3cc(c(N=Nc1ccc(CCCCCCCCCCCC)cc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C30H39N3O8S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35;;/h14-20,35H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C30H39N3O8S2.2Na,,,,,,CZWHGIACASUWJC-UHFFFAOYSA-L,,,,,,,,,,,
100.036.254,239-896-5,15792-51-5,"Sodium 4-[4-[[3-(anilinosulphonyl)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate","sodium 2,5-dichloro-4-(3-methyl-5-oxo-4-{[3-(phenylsulfamoyl)phenyl]diazenyl}-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].O=S(=O)(Nc1ccccc1)c2cccc(c2)N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O,[Na+].O=S(=O)(Nc1ccccc1)c2cccc(c2)N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O,"InChI=1/C22H17Cl2N5O6S2.Na/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-15-8-5-9-16(10-15)36(31,32)28-14-6-3-2-4-7-14;/h2-12,21,28H,1H3,(H,33,34,35);/q;+1/p-1",C22H17Cl2N5O6S2.Na,,,,,,CSZFHVQHDJJYJG-UHFFFAOYSA-M,,,,,,,,,,,
100.036.259,239-901-0,15804-19-0,"Quinoxaline-2,3-diol","quinoxaline-2,3-diol",Oc1nc2ccccc2nc1O,Oc1nc2ccccc2nc1O,"InChI=1/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)",C8H6N2O2,,,,,,ABJFBJGGLJVMAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.701,233-785-5,10361-13-4,Iron dinicotinate,iron(2+) dinicotinate,[Fe+2].[O-]C(=O)c1cccnc1.[O-]C(=O)C=1/C=C\\C=N/C=1,[Fe+2].[O-]C(=O)c1cccnc1.[O-]C(=O)C=1/C=C\C=N/C=1,"InChI=1/2C6H5NO2.Fe/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2",C6H5NO2.1/2Fe,,,,,,SLSOHEBQPQLNCI-UHFFFAOYSA-L,,,,,,,,,,,
100.030.720,233-805-2,10364-94-0,1-benzoylimidazole,1-benzoyl-1H-imidazole,O=C(c1ccccc1)n2ccnc2,O=C(c1ccccc1)n2ccnc2,InChI=1/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H,C10H8N2O,,,,,,JEGIFBGJZPYMJS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.721,233-806-8,10365-94-3,"Benzene-1,3,5-tricarbonitrile","benzene-1,3,5-tricarbonitrile",N#Cc1cc(cc(c1)C#N)C#N,N#Cc1cc(cc(c1)C#N)C#N,InChI=1/C9H3N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,C9H3N3,,,,,,SGLGUTWNGVJXPP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.727,233-813-6,10372-98-2,"1,1,1,2,3,3,3-heptafluoro-2-[(trifluorovinyl)oxy]propane","1,1,1,2,3,3,3-heptafluoro-2-[(trifluorovinyl)oxy]propane",FC(=C(F)OC(F)(C(F)(F)F)C(F)(F)F)F,FC(=C(F)OC(F)(C(F)(F)F)C(F)(F)F)F,"InChI=1/C5F10O/c6-1(7)2(8)16-3(9,4(10,11)12)5(13,14)15",C5F10O,,,,,,BJURIXFNPBYZNB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.733,233-819-9,10377-38-5,"Citric acid, lithium salt","lithium 3,4-dicarboxy-3-hydroxybutanoate",[Li+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O,[Li+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O,"InChI=1/C6H8O7.Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1",C6H8O7.xLi,,,,,,WNCZOFYWLAPNSS-UHFFFAOYSA-M,,,,,,,,,,,
100.060.605,266-686-0,67401-67-6,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(phenylsulphonyl)amino]anthracene-2-sulphonate","sodium 1-amino-9,10-dioxo-4-[(phenylsulfonyl)amino]-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(NS(=O)(=O)c4ccccc4)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(NS(=O)(=O)c4ccccc4)cc1S(=O)(=O)[O-],"InChI=1/C20H14N2O7S2.Na/c21-18-15(31(27,28)29)10-14(22-30(25,26)11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,27,28,29);/q;+1/p-1",C20H14N2O7S2.Na,,,,,,VNOXSLPRRHHXFL-UHFFFAOYSA-M,,,,,,,,,,,
100.060.606,266-687-6,67411-38-5,N-(2-ethoxyethyl)benzylamine,N-benzyl-2-ethoxyethanamine,CCOCCNCc1ccccc1,CCOCCNCc1ccccc1,"InChI=1/C11H17NO/c1-2-13-9-8-12-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3",C11H17NO,,,,,,DTXJHAMRAXFCTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.607,266-688-1,67411-64-7,"3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol","3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h29-30H,1-28H2",C28H58O15,,,,,,ILLKMACMBHTSHP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.609,266-690-2,67429-43-0,Sodium S-[2-(methylamino)-2-oxoethyl] thiosulphate,sodium S-[2-(methylamino)-2-oxoethyl] thiosulfate,[Na+].CNC(=O)CSS(=O)(=O)[O-],[Na+].CNC(=O)CSS(=O)(=O)[O-],"InChI=1/C3H7NO4S2.Na/c1-4-3(5)2-9-10(6,7)8;/h2H2,1H3,(H,4,5)(H,6,7,8);/q;+1/p-1",C3H7NO4S2.Na,,,,,,CEYNVXHLYOPGKZ-UHFFFAOYSA-M,,,,,,,,,,,
100.055.595,261-174-3,58232-39-6,"6-amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acid","6-amino-2-methyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid",CN1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S(=O)(=O)O,CN1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S(=O)(=O)O,"InChI=1/C13H10N2O5S/c1-15-12(16)7-4-2-3-6-10(7)8(13(15)17)5-9(11(6)14)21(18,19)20/h2-5H,14H2,1H3,(H,18,19,20)",C13H10N2O5S,,,,,,TWYFYMSPRMAKNI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.596,261-175-9,58233-18-4,(6R-trans)-3-(acetoxymethyl)-7-[(2-aminothiazol-4-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,"3-(acetoxymethyl)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3csc(N)n3)C2=O)C(=O)O,CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3csc(N)n3)C2=O)C(=O)O,"InChI=1/C15H16N4O6S2/c1-6(20)25-3-7-4-26-13-10(12(22)19(13)11(7)14(23)24)18-9(21)2-8-5-27-15(16)17-8/h5,10,13H,2-4H2,1H3,(H2,16,17)(H,18,21)(H,23,24)",C15H16N4O6S2,,,,,,CIFZTJFBDLIEOW-GWCFXTLKSA-N,,,,,,,,,,,
100.055.603,261-183-2,58244-29-4,"4-methyl-2-(o-tolyl)-1,3-dioxolane","4-methyl-2-(2-methylphenyl)-1,3-dioxolane",CC1COC(O1)c2ccccc2C,CC1COC(O1)c2ccccc2C,"InChI=1/C11H14O2/c1-8-5-3-4-6-10(8)11-12-7-9(2)13-11/h3-6,9,11H,7H2,1-2H3",C11H14O2,,,,,,FBCXATUWPYULPO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.605,261-185-3,58249-83-5,2-[(benzoyloxy)methyl]benzoic acid,2-[(benzoyloxy)methyl]benzoic acid,OC(=O)c1ccccc1COC(=O)c2ccccc2,OC(=O)c1ccccc1COC(=O)c2ccccc2,"InChI=1/C15H12O4/c16-14(17)13-9-5-4-8-12(13)10-19-15(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)",C15H12O4,,,,,,QDENBWUYSUBCID-UHFFFAOYSA-N,,,,,,,,,,,
100.055.611,261-192-1,58261-80-6,m-(chlorocarbonyl)benzenesulphonic acid,3-(chlorocarbonyl)benzenesulfonic acid,OS(=O)(=O)c1cccc(c1)C(=O)Cl,OS(=O)(=O)c1cccc(c1)C(=O)Cl,"InChI=1/C7H5ClO4S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)",C7H5ClO4S,,,,,,WRHCKIKUFJDDPK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.612,261-193-7,58262-41-2,Bis(1-methylpentadecyl) adipate,bis(1-methylpentadecyl) adipate,CCCCCCCCCCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCCCCCCCCCC,CCCCCCCCCCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCCCCCCCCCC,"InChI=1/C38H74O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35(3)41-37(39)33-29-30-34-38(40)42-36(4)32-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-36H,5-34H2,1-4H3",C38H74O4,,,,,,FRBBYVCAMAHYTI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.617,261-198-4,58288-41-8,Potassium p-octylphenolate,potassium 4-octylphenolate,[K+].CCCCCCCCc1ccc([O-])cc1,[K+].CCCCCCCCc1ccc([O-])cc1,"InChI=1/C14H22O.K/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h9-12,15H,2-8H2,1H3;/q;+1/p-1",C14H22O.K,,,,,,KXPNDAJGKXDUDY-UHFFFAOYSA-M,,,,,,,,,,,
100.055.620,261-202-4,58296-81-4,Undec-8-enal,undec-8-enal,CCC=CCCCCCCC=O,CCC=CCCCCCCC=O,"InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,11H,2,5-10H2,1H3",C11H20O,,,,,,DWQXOILNGUCNSH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.623,261-206-6,58306-67-5,N-[2-amino-5-(phenylthio)phenyl]-2-methoxyacetamide,N-[2-amino-5-(phenylsulfanyl)phenyl]-2-methoxyacetamide,COCC(=O)Nc1cc(Sc2ccccc2)ccc1N,COCC(=O)Nc1cc(Sc2ccccc2)ccc1N,"InChI=1/C15H16N2O2S/c1-19-10-15(18)17-14-9-12(7-8-13(14)16)20-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H,17,18)",C15H16N2O2S,,,,,,CTJWFLXXSAXYMS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.679,264-566-2,63938-08-9,Chloroheptanone,1-chloroheptan-2-one,CCCCCC(=O)CCl,CCCCCC(=O)CCl,"InChI=1/C7H13ClO/c1-2-3-4-5-7(9)6-8/h2-6H2,1H3",C7H13ClO,,,,,,SNVVZCPNLVAKLC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.684,264-572-5,63947-56-8,Mercaptopropanol,1-sulfanylpropan-1-ol,CCC(O)S,CCC(O)S,"InChI=1/C3H8OS/c1-2-3(4)5/h3-5H,2H2,1H3",C3H8OS,,,,,,AEUVIXACNOXTBX-UHFFFAOYSA-N,,,,,,,,,,,
100.031.540,234-708-8,12026-06-1,Thallium hydroxide,thallium(1+) hydroxide,[OH-].[Tl+],[OH-].[Tl+],InChI=1/H2O.Tl/h1H2;/q;+1/p-1,HOTl,,,,,,QGYXCSSUHCHXHB-UHFFFAOYSA-M,,,,,,,,,,,
100.031.542,234-710-9,12026-24-3,Tin dihydroxide,-,[OH-].[OH-].[Sn+4],[OH-].[OH-].[Sn+4],InChI=1/2H2O.Sn/h2*1H2;/q;;+4/p-2,H2O2Sn,,,,,,UYFHDKXPXNLMJB-UHFFFAOYSA-L,,,,,,,,,,,
100.035.201,238-737-7,14691-87-3,Dipotassium hydroxide periodate,dipotassium hydroxide periodate,[OH-].[K+].[K+].[O-]I(=O)(=O)=O,[OH-].[K+].[K+].[O-]I(=O)(=O)=O,"InChI=1/HIO4.2K.H2O/c2-1(3,4)5;;;/h(H,2,3,4,5);;;1H2/q;2*+1;/p-2",HIK2O5,,,,,,HZCWGXVLEDUJIX-UHFFFAOYSA-L,,,,,,,,,,,
100.035.209,238-746-6,14696-77-6,Aluminium selenate,aluminium selenate,[Al+3].[Al+3].[O-][Se](=O)(=O)[O-].[O-][Se](=O)(=O)[O-].[O-][Se](=O)(=O)[O-],[Al+3].[Al+3].[O-][Se](=O)(=O)[O-].[O-][Se](=O)(=O)[O-].[O-][Se](=O)(=O)[O-],"InChI=1/2Al.3H2O4Se/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Al.3/2H2O4Se,,,,,,JSMYWMXSQDUVSJ-UHFFFAOYSA-H,,,,,,,,,,,
100.035.210,238-747-1,14697-46-2,"Pentane-1,2,5-triol","pentane-1,2,5-triol",OCCCC(O)CO,OCCCC(O)CO,"InChI=1/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2",C5H12O3,,,,,,WEAYWASEBDOLRG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.215,238-752-9,14708-13-5,Magnesium tetrafluoroborate(1-),magnesium ditetrafluoroborate,[Mg+2].F[B-](F)(F)F.F[B-](F)(F)F,[Mg+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Mg/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Mg,,,,,,YYLMEZLNNFVAGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.216,238-753-4,14708-14-6,Nickel bis(tetrafluoroborate),nickel(2+) ditetrafluoroborate,[Ni+2].F[B-](F)(F)F.F[B-](F)(F)F,[Ni+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Ni/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Ni,,,,,,UTWSZAKRMXIKQI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.228,238-767-0,14721-21-2,Copper dichlorate,copper(2+) dichlorate,[Cu+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Cu+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/2ClHO3.Cu/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",ClHO3.1/2Cu,,,,,,IJCCOEGCVILSMZ-UHFFFAOYSA-L,,,,,,,,,,,
100.035.233,238-772-8,14723-99-0,Yttrium triiodate,yttrium triiodate,[Y+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Y+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.Y/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",HIO3.1/3Y,,,,,,GNAQWXYOWUNBQL-UHFFFAOYSA-K,,,,,,,,,,,
100.035.238,238-778-0,14726-36-4,Zinc bis(dibenzyldithiocarbamate),zinc bis(dibenzyldithiocarbamate),[Zn+2].[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2.[S-]C(=S)N(Cc3ccccc3)Cc4ccccc4,[Zn+2].[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2.[S-]C(=S)N(Cc3ccccc3)Cc4ccccc4,"InChI=1/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2",C30H28N2S4Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13604,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.238,AUMBZPPBWALQRO-UHFFFAOYSA-L,,,,,,,,,,,
100.038.505,242-371-3,18481-26-0,4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate,{[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1-(2-hydroxyethyl)prop-1-en-1-yl]sulfanyl}methyl benzoate,Nc2nc(C)ncc2CN(C=O)C(C)=C(CCO)SCOC(=O)c1ccccc1,Nc2nc(C)ncc2CN(C=O)C(C)=C(CCO)SCOC(=O)c1ccccc1,"InChI=1/C20H24N4O4S/c1-14(24(12-26)11-17-10-22-15(2)23-19(17)21)18(8-9-25)29-13-28-20(27)16-6-4-3-5-7-16/h3-7,10,12,25H,8-9,11,13H2,1-2H3,(H2,21,22,23)",C20H24N4O4S,,,,,,KZZQSQPXTWSHLI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.519,242-387-0,18503-90-7,"1,1-dibutoxytrimethylamine","1,1-dibutoxy-N,N-dimethylmethanamine",CCCCOC(OCCCC)N(C)C,CCCCOC(OCCCC)N(C)C,"InChI=1/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3",C11H25NO2,,,,,,GSFFXKGTGPMVLM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.530,242-399-6,18525-25-2,3-(2-ammonioethyl)-5-hydroxy-1H-indolium maleate,3-(2-ammonioethyl)-5-hydroxy-1H-indolium but-2-enedioate,[NH3+]CCC1=C[NH+]c2ccc(O)cc12.[O-]C(=O)\\C=C/C(=O)[O-],[NH3+]CCC1=C[NH+]c2ccc(O)cc12.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C10H12N2O.C4H4O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;5-3(6)1-2-4(7)8/h1-2,5-6,12-13H,3-4,11H2;1-2H,(H,5,6)(H,7,8)",C10H12N2O.C4H4O4,,,,,,LTEXAUVYLLADEB-BTJKTKAUSA-N,,,,,,,,,,,
100.038.533,242-403-6,18529-01-6,4-chloro-6-fluoro-2-methylquinoline,4-chloro-6-fluoro-2-methylquinoline,Cc1cc(Cl)c2cc(F)ccc2n1,Cc1cc(Cl)c2cc(F)ccc2n1,"InChI=1/C10H7ClFN/c1-6-4-9(11)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3",C10H7ClFN,,,,,,GMMVVJJBQBYMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.537,242-407-8,18532-06-4,Ethyl 3-phenyl-N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-alaninate,ethyl 1-[(benzyloxy)carbonyl]-L-prolyl-L-phenylalaninate,CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3,CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3,"InChI=1/C24H28N2O5/c1-2-30-23(28)20(16-18-10-5-3-6-11-18)25-22(27)21-14-9-15-26(21)24(29)31-17-19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3,(H,25,27)",C24H28N2O5,,,,,,UXKHJBYWTMMOJN-SFTDATJTSA-N,,,,,,,,,,,
100.038.541,242-412-5,18542-42-2,[2-(methylthio)ethyl]amine,2-(methylsulfanyl)ethanamine,CSCCN,CSCCN,"InChI=1/C3H9NS/c1-5-3-2-4/h2-4H2,1H3",C3H9NS,,,,,,CYWGSFFHHMQKET-UHFFFAOYSA-N,,,,,,,,,,,
100.038.546,242-417-2,18545-83-0,Diethyl 2-methylglutarate,diethyl 2-methylpentanedioate,CCOC(=O)CCC(C)C(=O)OCC,CCOC(=O)CCC(C)C(=O)OCC,"InChI=1/C10H18O4/c1-4-13-9(11)7-6-8(3)10(12)14-5-2/h8H,4-7H2,1-3H3",C10H18O4,,,,,,SHSCLYKFOFTZGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.737,264-629-4,64051-38-3,Bis(dipentylphenyl) hydrogen phosphate,"bis(2,3-dipentylphenyl) hydrogen phosphate",CCCCCc1cccc(OP(=O)(O)Oc2cccc(CCCCC)c2CCCCC)c1CCCCC,CCCCCc1cccc(OP(=O)(O)Oc2cccc(CCCCC)c2CCCCC)c1CCCCC,"InChI=1/C32H51O4P/c1-5-9-13-19-27-21-17-25-31(29(27)23-15-11-7-3)35-37(33,34)36-32-26-18-22-28(20-14-10-6-2)30(32)24-16-12-8-4/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3,(H,33,34)",C32H51O4P,,,,,,AVDUUCITKNRPLE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.742,264-635-7,64051-46-3,"1-[2-[[2-[[2-[[2-[3-(docosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octadecenyl)pyrrolidine-2,5-dione","3-docos-1-en-1-yl-1-[2-({2-[(2-{[2-(3-octadec-1-en-1-yl-2,5-dioxopyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]pyrrolidine-2,5-dione",O=C2CC(C=CCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C56H103N5O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-52-50-54(63)61(56(52)65)48-46-59-44-42-57-41-43-58-45-47-60-53(62)49-51(55(60)64)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h37-40,51-52,57-59H,3-36,41-50H2,1-2H3",C56H103N5O4,,,,,,BSUOJTKUSSISDB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.747,264-640-4,64051-56-5,3-(tetratetracontenyl)succinic anhydride,"3-tetratetracont-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C48H90O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-45-47(49)51-48(46)50/h43-44,46H,2-42,45H2,1H3",C48H90O3,,,,,,LAWIYPAPVJXCEF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.376,266-435-5,66644-81-3,Veralipride,"N-[(1-allylpyrrolidin-2-yl)methyl]-2,3-dimethoxy-5-sulfamoylbenzamide",COc1cc(cc(C(=O)NCC2CCCN2CC=C)c1OC)S(=O)(=O)N,COc1cc(cc(C(=O)NCC2CCCN2CC=C)c1OC)S(=O)(=O)N,"InChI=1/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)",C17H25N3O5S,,,,,,RYJXBGGBZJGVQF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.404,260-964-5,57801-81-7,Brotizolam,"2-bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine",Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Br)sc4n12,Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Br)sc4n12,"InChI=1/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3",C15H10BrClN4S,,,,,,UMSGKTJDUHERQW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.406,260-966-6,57808-63-6,Cicloxilic acid,2-hydroxy-2-phenylcyclohexanecarboxylic acid,OC(=O)[C@H]1CCCC[C@]1(O)c2ccccc2,OC(=O)[C@H]1CCCC[C@]1(O)c2ccccc2,"InChI=1/C13H16O3/c14-12(15)11-8-4-5-9-13(11,16)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)",C13H16O3,,,,,,VCZPUGSOJXZKIP-YPMHNXCESA-N,,,,,,,,,,,
100.055.409,260-969-2,57808-78-3,"2-bromo-6ß-fluoro-17,21-dihydroxypregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)","2-bromo-6-fluoro-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]12C)Br)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]12C)Br)OC(=O)C,"InChI=1/C25H28BrFO6/c1-13(28)32-12-22(31)25(33-14(2)29)8-6-17-15-9-20(27)18-10-21(30)19(26)11-23(18,3)16(15)5-7-24(17,25)4/h5,10-11,15,17,20H,6-9,12H2,1-4H3",C25H28BrFO6,,,,,,MCBUGZFLZRBBKP-GZVJLHMWSA-N,,,,,,,,,,,
100.055.410,260-970-8,57808-79-4,"2-bromo-9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","2-bromo-6-fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)Br)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)Br)OC(=O)C,"InChI=1/C25H28BrFO7/c1-12(28)32-11-20(31)24(33-13(2)29)6-5-14-15-7-18(27)16-8-19(30)17(26)9-23(16,4)25(15)21(34-25)10-22(14,24)3/h8-9,14-15,18,21H,5-7,10-11H2,1-4H3",C25H28BrFO7,,,,,,HEORAMOKIXHENT-HRJIOPBASA-N,,,,,,,,,,,
100.055.417,260-978-1,57835-99-1,Triphenylsulphonium hexafluorophosphate(1-),triphenylsulfonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3,F[P-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3,"InChI=1/C18H15S.F6P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1",C18H15S.F6P,,,,,,OFOZWFGJJSDVIP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.418,260-979-7,57837-19-1,"Methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate","methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate",COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C,COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C,"InChI=1/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3",C15H21NO4,,,,,,ZQEIXNIJLIKNTD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.434,260-997-5,57864-30-9,O-(6-chloropyridin-2-yl) O-ethyl phenylthiophosphonate,O-(6-chloropyridin-2-yl) O-ethyl S-phenyl thiophosphate,CCOP(=O)(Oc1cccc(Cl)n1)Sc2ccccc2,CCOP(=O)(Oc1cccc(Cl)n1)Sc2ccccc2,"InChI=1/C13H13ClNO3PS/c1-2-17-19(16,20-11-7-4-3-5-8-11)18-13-10-6-9-12(14)15-13/h3-10H,2H2,1H3",C13H13ClNO2PS,,,,,,JMXJPHHUASOXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.737,233-824-6,10377-57-8,Magnesium phosphinate,magnesium bis(phosphinate),[Mg+2].[O-]P=O.[O-]P=O,[Mg+2].[O-]P=O.[O-]P=O,"InChI=1/Mg.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",H3O2P.1/2Mg,,,,,,SEQVSYFEKVIYCP-UHFFFAOYSA-L,,,,,,,,,,,
100.030.738,233-825-1,10377-58-9,Magnesium iodide,magnesium diiodide,[Mg+2].[I-].[I-],[Mg+2].[I-].[I-],InChI=1/2HI.Mg/h2*1H;/q;;+2/p-2,I2Mg,,,,,,BLQJIBCZHWBKSL-UHFFFAOYSA-L,,,,,,,,,,,
100.030.742,233-829-3,10377-81-8,"2-aminoethanol, monoester with boric acid",2-aminoethyl dihydrogen borate,NCCOB(O)O,NCCOB(O)O,"InChI=1/C2H8BNO3/c4-1-2-7-3(5)6/h5-6H,1-2,4H2",C2H8BNO3,,,,,,JCAYXDKNUSEQRT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.749,233-837-7,10379-14-3,Tetrazepam,"7-chloro-5-cyclohex-1-en-1-yl-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(C2=CCCCC2)c3cc(Cl)ccc13,CN1C(=O)CN=C(C2=CCCCC2)c3cc(Cl)ccc13,"InChI=1/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3",C16H17ClN2O,,,,,,IQWYAQCHYZHJOS-UHFFFAOYSA-N,Positive,EQ333001|EQ333002|EQ333003|EQ333004|EQ333005|EQ333006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,289.1099|289.1098:254.1412:253.1333|289.1099:253.1334:254.1412|225.1021:253.1333:81.0698|225.102:197.1071:81.0698|197.1071:225.1021:79.0541,Eawag,,,,,
100.054.375,259-831-4,55811-23-9,"5-[[4-[[4-[(3-carboxy-4-chlorophenyl)amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]amino]-2-chlorobenzoic acid","5-({4-[{4-[(3-carboxy-4-chlorophenyl)amino]phenyl}(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene}amino)-2-chlorobenzoic acid",OC(=O)c1cc(ccc1Cl)Nc2ccc(cc2)/C(c3ccccc3)=C4\\C=C/C(/C=C4)=Nc5cc(C(O)=O)c(Cl)cc5,OC(=O)c1cc(ccc1Cl)Nc2ccc(cc2)/C(c3ccccc3)=C4\C=C/C(/C=C4)=Nc5cc(C(O)=O)c(Cl)cc5,"InChI=1/C33H22Cl2N2O4/c34-29-16-14-25(18-27(29)32(38)39)36-23-10-6-21(7-11-23)31(20-4-2-1-3-5-20)22-8-12-24(13-9-22)37-26-15-17-30(35)28(19-26)33(40)41/h1-19,36H,(H,38,39)(H,40,41)",C33H22Cl2N2O4,,,,,,JPOAXWSMFOLMQH-ALPNJANWSA-N,,,,,,,,,,,
100.054.376,259-833-5,55811-25-1,5-ethoxy-2-[2-[(3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium,"3-(5-ethoxy-2-{2-[(3-ethyl-5-methyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(OCC)ccc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4cc(OCC)ccc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC,"InChI=1/C27H32N2O4S2Se/c1-5-20(17-27-28(6-2)23-15-19(4)9-12-25(23)36-27)16-26-29(13-8-14-35(30,31)32)22-18-21(33-7-3)10-11-24(22)34-26/h9-12,15-18H,5-8,13-14H2,1-4H3",C27H32N2O4S2Se,,,,,,KTQCCGGJPFHOIH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.251,236-591-9,13446-03-2,Manganese dibromide,manganese(2+) dibromide,Br[Mn]Br,Br[Mn]Br,InChI=1/2BrH.Mn/h2*1H;/q;;+2/p-2,Br2Mn,,,,,,RJYMRRJVDRJMJW-UHFFFAOYSA-L,,,,,,,,,,,
100.033.253,236-594-5,13446-12-3,Ammonium hydrogen phosphonate,ammonium hydrogen phosphonate,[NH4+].[O-]P(=O)[O-],[NH4+].[O-]P(=O)[O-],"InChI=1/H3N.H3O3P/c;1-4(2)3/h1H3;4H,(H2,1,2,3)/p-1",H3N.H3O3P,,,,,,CDXRGXUDSDPCOI-UHFFFAOYSA-M,,,,,,,,,,,
100.033.258,236-599-2,13446-49-6,Dipotassium tetraoxomolybdate,dipotassium tetraoxomolibdate(2-),[K+].[K+].O=[Mo-2](=O)(=O)=O,[K+].[K+].O=[Mo-2](=O)(=O)=O,"InChI=1/2K.Mo.4O/q2*+1;-2;;;;/r2K.MoO4/c;;2-1(3,4)5/q2*+1;-2",K.1/2MoO4,,,,,,BYWYBACGBNKSHK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.262,236-603-2,13446-74-7,Rubidium fluoride,rubidium fluoride,[F-].[Rb+],[F-].[Rb+],InChI=1/FH.Rb/h1H;/q;+1/p-1,FRb,,,,,,AHLATJUETSFVIM-UHFFFAOYSA-M,,,,,,,,,,,
100.033.263,236-604-8,13446-76-9,Rubidium iodate,rubidium iodate,[Rb+].[O-]I(=O)=O,[Rb+].[O-]I(=O)=O,"InChI=1/HIO3.Rb/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",HIO3.Rb,,,,,,CIOUAZZDKTZOPK-UHFFFAOYSA-M,,,,,,,,,,,
100.033.264,236-605-3,13447-95-5,Methaniazide,(2-isonicotinoylhydrazino)methanesulfonic acid,OS(=O)(=O)CNNC(=O)c1ccncc1,OS(=O)(=O)CNNC(=O)c1ccncc1,"InChI=1/C7H9N3O4S/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h1-4,9H,5H2,(H,10,11)(H,12,13,14)",C7H9N3O4S,,,,,,GQZQCROBCYNTMU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.266,236-607-4,13450-67-4,4-[2-(piperidyl)ethyl]pyridine,4-(2-piperidin-1-ylethyl)pyridine,C(Cc1ccncc1)N2CCCCC2,C(Cc1ccncc1)N2CCCCC2,"InChI=1/C12H18N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h4-5,7-8H,1-3,6,9-11H2",C12H18N2,,,,,,ICBUOQBBEUSCAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.267,236-609-5,13450-88-9,Gallium tribromide,gallium tribromide,[Ga+3].[Br-].[Br-].[Br-],[Ga+3].[Br-].[Br-].[Br-],InChI=1/3BrH.Ga/h3*1H;/q;;;+3/p-3,Br3Ga,,,,,,SRVXDMYFQIODQI-UHFFFAOYSA-K,,,,,,,,,,,
100.033.272,236-614-2,13450-97-0,Strontium perchlorate,strontium diperchlorate,[Sr+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Sr+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Sr/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Sr,,,,,,MXRFIUHRIOLIIV-UHFFFAOYSA-L,,,,,,,,,,,
100.033.277,236-620-5,13451-18-8,Tellurium trioxide,oxotellane dioxide,O=[Te](=O)=O,O=[Te](=O)=O,InChI=1/O3Te/c1-4(2)3,O3Te,,,,,,IIXQANVWKBCLEB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.282,236-625-2,13453-32-2,Thallium trichloride,thallium trichloride,[Cl-].[Cl-].[Cl-].[Tl+].[Tl+].[Tl+],[Cl-].[Cl-].[Cl-].[Tl+].[Tl+].[Tl+],InChI=1/3ClH.3Tl/h3*1H;;;/q;;;3*+1/p-3,Cl3Tl,,,,,,QKYVQHHLYHFUKG-UHFFFAOYSA-K,,,,,,,,,,,
100.058.698,264-587-7,63978-27-8,"1,2-dihydroxypropyl 3-hydroxy-3-phenylalaninate","1,2-dihydroxypropyl beta-hydroxyphenylalaninate",CC(O)C(O)OC(=O)C(N)C(O)c1ccccc1,CC(O)C(O)OC(=O)C(N)C(O)c1ccccc1,"InChI=1/C12H17NO5/c1-7(14)11(16)18-12(17)9(13)10(15)8-5-3-2-4-6-8/h2-7,9-11,14-16H,13H2,1H3",C12H17NO5,,,,,,YRCFRUPQHPDWFM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.699,264-588-2,63981-08-8,Nonyl diphenyl phosphite,nonyl diphenyl phosphite,CCCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,CCCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,"InChI=1/C21H29O3P/c1-2-3-4-5-6-7-14-19-22-25(23-20-15-10-8-11-16-20)24-21-17-12-9-13-18-21/h8-13,15-18H,2-7,14,19H2,1H3",C21H29O3P,,,,,,NCPGGWYWLQAEMT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.701,264-590-3,63982-03-6,Heptadecyltrimethylammonium methyl sulphate,"N,N,N-trimethylheptadecan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C20H44N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;1-5-6(2,3)4/h5-20H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C20H44N.CH3O4S,,,,,,RHMYLLZPXHTBMH-UHFFFAOYSA-M,,,,,,,,,,,
100.058.703,264-592-4,63985-45-5,Lithium orthosilicate,tetralithium orthosilicate,[Li+].[Li+].[Li+].[Li+].[O-][Si]([O-])([O-])[O-],[Li+].[Li+].[Li+].[Li+].[O-][Si]([O-])([O-])[O-],"InChI=1/4Li.O4Si/c;;;;1-5(2,3)4/q4*+1;-4",H4O4Si.xLi,,,,,,YTZVWGRNMGHDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.707,264-597-1,63998-93-6,"Trisodium hydrogen N,N-bis(carboxylatomethyl)-L-glutamate",trisodium hydrogen 2-[bis(carboxylatomethyl)amino]pentanedioate,[Na+].[Na+].[Na+].[O-]C(=O)CC[C@H](N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].[O-]C(=O)CC[C@H](N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-],"InChI=1/C9H13NO8.3Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;/q;3*+1/p-4",C9H13NO8.3Na,,,,,,DIGMEYCLSQUNNC-BHRFRFAJSA-J,,,,,,,,,,,
100.058.711,264-601-1,64012-06-2,(2-hydroxypropyl)ammonium myristate,2-hydroxypropan-1-aminium myristate,CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH3+],CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH3+],"InChI=1/C14H28O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-3(5)2-4/h2-13H2,1H3,(H,15,16);3,5H,2,4H2,1H3",C14H28O2.C3H9NO,,,,,,HRTFUMOKDUHNIY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.714,264-604-8,64018-23-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoyl chloride","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)Cl,"InChI=1/C10H2ClF17O/c11-2(29)1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1H2",C10H2ClF17O,,,,,,FMAZHALGIPCISB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.719,264-610-0,64022-34-0,"Octyl (9Z,12Z)-octadeca-9,12-dienoate","octyl octadeca-9,12-dienoate",CCCCCCCCOC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C26H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h11-12,14-15H,3-10,13,16-25H2,1-2H3",C26H48O2,,,,,,WFMGDEZKUZALGX-HDXUUTQWSA-N,,,,,,,,,,,
100.058.720,264-611-6,64022-61-3,"Tetrakis(2,2,6,6-tetramethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate","tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate",CC1(C)CC(CC(C)(C)N1)OC(=O)CC(C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC3CC(C)(C)NC(C)(C)C3)C(=O)OC4CC(C)(C)NC(C)(C)C4,CC1(C)CC(CC(C)(C)N1)OC(=O)CC(C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC3CC(C)(C)NC(C)(C)C3)C(=O)OC4CC(C)(C)NC(C)(C)C4,"InChI=1/C44H78N4O8/c1-37(2)19-27(20-38(3,4)45-37)53-33(49)17-31(35(51)55-29-23-41(9,10)47-42(11,12)24-29)32(36(52)56-30-25-43(13,14)48-44(15,16)26-30)18-34(50)54-28-21-39(5,6)46-40(7,8)22-28/h27-32,45-48H,17-26H2,1-16H3",C44H78N4O8,,,,,,NZNAAUDJKMURFU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.614,266-696-5,67461-03-4,"Trisodium 3-[[4-[[[4-[[2-(acetylamino)-4-hydroxyphenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-4-amino-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 3-{[4-({4-[(2-acetamido-4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-4-amino-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5)c(NC(C)=O)c6,[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5)c(NC(C)=O)c6,"InChI=1/C37H29N9O13S3.3Na/c1-19(47)39-29-18-26(48)12-15-28(29)44-41-24-8-6-22(7-9-24)40-37(50)20-2-4-23(5-3-20)42-45-34-30(61(54,55)56)16-21-17-31(62(57,58)59)35(36(49)32(21)33(34)38)46-43-25-10-13-27(14-11-25)60(51,52)53;;;/h2-18,48-49H,38H2,1H3,(H,39,47)(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;/q;3*+1/p-3",C37H29N9O13S3.3Na,,,,,,BKYJOYYNEXOICV-UHFFFAOYSA-K,,,,,,,,,,,
100.060.617,266-699-1,67482-93-3,1-[N-[N-(2-aminobenzoyl)glycyl]-4-nitro-L-phenylalanyl]-L-proline,N-(2-aminobenzoyl)glycyl-4-nitro-L-phenylalanyl-L-proline,Nc1ccccc1C(=O)NCC(=O)N[C@@H](Cc2ccc(cc2)[N+](=O)[O-])C(=O)N3CCC[C@H]3C(=O)O,Nc1ccccc1C(=O)NCC(=O)N[C@@H](Cc2ccc(cc2)[N+](=O)[O-])C(=O)N3CCC[C@H]3C(=O)O,"InChI=1/C23H25N5O7/c24-17-5-2-1-4-16(17)21(30)25-13-20(29)26-18(12-14-7-9-15(10-8-14)28(34)35)22(31)27-11-3-6-19(27)23(32)33/h1-2,4-5,7-10,18-19H,3,6,11-13,24H2,(H,25,30)(H,26,29)(H,32,33)",C23H25N5O7,,,,,,ZCZHTWBKBLMIQM-OALUTQOASA-N,,,,,,,,,,,
100.055.378,260-935-7,57764-46-2,"2,6-dihydroxybenzonitrile","2,6-dihydroxybenzonitrile",Oc1cccc(O)c1C#N,Oc1cccc(O)c1C#N,"InChI=1/C7H5NO2/c8-4-5-6(9)2-1-3-7(5)10/h1-3,9-10H",C7H5NO2,,,,,,IEQIEHQVSNLTNH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.548,242-419-3,18547-93-8,"(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropane-1,3-diyl dimethacrylate","(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropane-3,1-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C,CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C,"InChI=1/C18H34O5Si2/c1-15(2)17(19)21-11-9-13-24(5,6)23-25(7,8)14-10-12-22-18(20)16(3)4/h1,3,9-14H2,2,4-8H3",C18H34O5Si2,,,,,,ZIFLDVXQTMSDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.756,237-147-7,13669-42-6,Quinoline-3-carbaldehyde,quinoline-3-carbaldehyde,O=Cc1cnc2ccccc2c1,O=Cc1cnc2ccccc2c1,InChI=1/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7H,C10H7NO,,,,,,RYGIHSLRMNXWCN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.761,237-152-4,13671-63-1,"2-methyl-2-propylpropane-1,3-diyl dinicotinate",2-methyl-2-{[(pyridin-3-ylcarbonyl)oxy]methyl}pentyl nicotinate,CCCC(C)(COC(=O)c1cccnc1)COC(=O)c2cccnc2,CCCC(C)(COC(=O)c1cccnc1)COC(=O)c2cccnc2,"InChI=1/C19H22N2O4/c1-3-8-19(2,13-24-17(22)15-6-4-9-20-11-15)14-25-18(23)16-7-5-10-21-12-16/h4-7,9-12H,3,8,13-14H2,1-2H3",C19H22N2O4,,,,,,XVBCWIBXVAJLPL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.763,237-155-0,13673-51-3,N2-benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate),pentachlorophenyl N~2~-[(benzyloxy)carbonyl]glutaminate,NC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,NC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,"InChI=1/C19H15Cl5N2O5/c20-12-13(21)15(23)17(16(24)14(12)22)31-18(28)10(6-7-11(25)27)26-19(29)30-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,25,27)(H,26,29)",C19H15Cl5N2O5,,,,,,GUYCMAYBPDXYPY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.765,237-157-1,13673-54-6,Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate,pentachlorophenyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinate,Clc1c(Cl)c(Cl)c(OC(=O)C(CSCc2ccccc2)NC(=O)OCc3ccccc3)c(Cl)c1Cl,Clc1c(Cl)c(Cl)c(OC(=O)C(CSCc2ccccc2)NC(=O)OCc3ccccc3)c(Cl)c1Cl,"InChI=1/C24H18Cl5NO4S/c25-17-18(26)20(28)22(21(29)19(17)27)34-23(31)16(13-35-12-15-9-5-2-6-10-15)30-24(32)33-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,30,32)",C24H18Cl5NO4S,,,,,,KHJLTTGEVZUKSI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.767,237-159-2,13674-87-8,Tris[2-chloro-1-(chloromethyl)ethyl] phosphate,tris[2-chloro-1-(chloromethyl)ethyl] phosphate,ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,"InChI=1/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2",C9H15Cl6O4P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14365,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.767,ASLWPAWFJZFCKF-UHFFFAOYSA-N,Positive,SM819401;SM880902,[M+H]+;[M+H]+,HCD35;HCD35,98.9843:318.9226:208.9534;98.9842:318.9224:208.9533,CASMI_2016;CASMI_2016,,,,,
100.033.774,237-167-6,13676-91-0,"1,8-bis(phenylthio)anthraquinone","1,8-bis(phenylsulfanyl)-9,10-anthraquinone",O=C1c2cccc(Sc3ccccc3)c2C(=O)c4c(Sc5ccccc5)cccc14,O=C1c2cccc(Sc3ccccc3)c2C(=O)c4c(Sc5ccccc5)cccc14,InChI=1/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H,C26H16O2S2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11269,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.774,CNRPDCKHCGUKDK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.776,237-169-7,13678-58-5,1-(methylthio)butan-2-one,1-(methylsulfanyl)butan-2-one,CCC(=O)CSC,CCC(=O)CSC,"InChI=1/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3",C5H10OS,,,,,,GOAGGJDTOMPTSA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.785,237-179-1,13679-72-6,1-(3-methyl-2-thienyl)ethan-1-one,1-(3-methyl-2-thienyl)ethanone,CC(=O)c1sccc1C,CC(=O)c1sccc1C,"InChI=1/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3",C7H8OS,,,,,,YBJDKNXEWQSGEL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.786,237-180-7,13679-73-7,1-(4-methyl-2-thienyl)ethan-1-one,1-(4-methyl-2-thienyl)ethanone,CC(=O)c1cc(C)cs1,CC(=O)c1cc(C)cs1,"InChI=1/C7H8OS/c1-5-3-7(6(2)8)9-4-5/h3-4H,1-2H3",C7H8OS,,,,,,NFZNHUNPIJPRMP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.788,237-182-8,13679-75-9,1-(2-thienyl)propan-1-one,1-(2-thienyl)propan-1-one,CCC(=O)c1cccs1,CCC(=O)c1cccs1,"InChI=1/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3",C7H8OS,,,,,,MFPZQZZWAMAHOY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.789,237-183-3,13679-85-1,Dihydro-2-methylthiophen-3(2H)-one,2-methyldihydrothiophen-3(2H)-one,CC1SCCC1=O,CC1SCCC1=O,"InChI=1/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3",C5H8OS,,,,,,YMZZPMVKABUEBL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.796,237-191-7,13682-62-7,Rubidium tetrachloroaurate,rubidium tetrachloroaurate(1-),[Rb+].Cl[Au-](Cl)(Cl)Cl,[Rb+].Cl[Au-](Cl)(Cl)Cl,"InChI=1/Au.4ClH.Rb/h;4*1H;/q+3;;;;;+1/p-4/rAuCl4.Rb/c2-1(3,4)5;/q-1;+1",AuCl4.Rb,,,,,,SEVLWAWMCRMDAH-UHFFFAOYSA-J,,,,,,,,,,,
100.033.799,237-194-3,13682-99-0,Dichloromethylpentylsilane,(dichloromethyl)(pentyl)silane,CCCCC[SiH2]C(Cl)Cl,CCCCC[SiH2]C(Cl)Cl,"InChI=1/C6H14Cl2Si/c1-2-3-4-5-9-6(7)8/h6H,2-5,9H2,1H3",C6H14Cl2Si,,,,,,SDQDWAVULBMUPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.242,238-782-2,14727-95-8,Diammonium magnesium bis(sulphate),diammonium magnesium bis(sulphate),[NH4+].[NH4+].[Mg+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[Mg+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Mg.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2",H3N.H2O4S.1/2Mg,,,,,,DCNGHDHEMTUKNP-UHFFFAOYSA-L,,,,,,,,,,,
100.035.247,238-788-5,14730-30-4,"4-[(4-chloro-2-nitrophenyl)azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one","4-[(4-chloro-2-nitrophenyl)diazenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one",O=C2N\\N=C(\\C)C2N=Nc1ccc(Cl)cc1[N+]([O-])=O,O=C2N\N=C(\C)C2N=Nc1ccc(Cl)cc1[N+]([O-])=O,"InChI=1/C10H8ClN5O3/c1-5-9(10(17)15-12-5)14-13-7-3-2-6(11)4-8(7)16(18)19/h2-4,9H,1H3,(H,15,17)",C10H8ClN5O3,,,,,,GXJHLTQHSDRTBV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.439,261-002-7,57876-06-9,Dodecylethyl[3-[(2-ethylhexyl)oxy]-3-oxopropyl]sulphonium tetrafluoroborate(1-),dodecyl(ethyl){3-[(2-ethylhexyl)oxy]-3-oxopropyl}sulfonium tetrafluoroborate,CCCCCCCCCCCC[S+](CC)CCC(=O)OCC(CC)CCCC.F[B-](F)(F)F,CCCCCCCCCCCC[S+](CC)CCC(=O)OCC(CC)CCCC.F[B-](F)(F)F,"InChI=1/C25H51O2S.BF4/c1-5-9-11-12-13-14-15-16-17-18-21-28(8-4)22-20-25(26)27-23-24(7-3)19-10-6-2;2-1(3,4)5/h24H,5-23H2,1-4H3;/q+1;-1",C25H51O2S.BF4,,,,,,HZFNCBQFFNDARH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.445,261-009-5,57900-42-2,Triphenylsulphonium hexafluoroarsenate(1-),triphenylsulfonium hexafluoroarsenate(1-),F[As-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3,F[As-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3,"InChI=1/C18H15S.AsF6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4,5,6)7/h1-15H;/q+1;-1",C18H15S.AsF6,,,,,,SYENPFUVTQGHIM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.447,261-011-6,57908-48-2,"1,1'-azobis(1-methylpropyl) diacetate","diazene-1,2-diyldibutane-2,2-diyl diacetate",O=C(C)OC(C)(N=NC(C)(CC)OC(C)=O)CC,O=C(C)OC(C)(N=NC(C)(CC)OC(C)=O)CC,"InChI=1/C12H22N2O4/c1-7-11(5,17-9(3)15)13-14-12(6,8-2)18-10(4)16/h7-8H2,1-6H3",C12H22N2O4,,,,,,ATFXTFMLMZLRII-UHFFFAOYSA-N,,,,,,,,,,,
100.057.354,263-108-9,61790-13-4,"Naphthenic acids, sodium salts",sodium 3-(3-ethylcyclopentyl)propanoate,[Na+].CCC1CCC(CCC(=O)[O-])C1,[Na+].CCC1CCC(CCC(=O)[O-])C1,"InChI=1/C10H18O2.Na/c1-2-8-3-4-9(7-8)5-6-10(11)12;/h8-9H,2-7H2,1H3,(H,11,12);/q;+1/p-1",-,,,,,,KQSJSRIUULBTSE-UHFFFAOYSA-M,,,,,,,,,,,
100.061.021,267-143-0,67801-22-3,"2,2-dimethyl-6-methylenecyclohexaneacetonitrile","(2,2-dimethyl-6-methylenecyclohexyl)acetonitrile",CC1(C)CCCC(=C)C1CC#N,CC1(C)CCCC(=C)C1CC#N,"InChI=1/C11H17N/c1-9-5-4-7-11(2,3)10(9)6-8-12/h10H,1,4-7H2,2-3H3",C11H17N,,,,,,NLSLGTHGRIYBME-UHFFFAOYSA-N,,,,,,,,,,,
100.061.024,267-146-7,67801-25-6,"4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-ol","4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-ol",CCC(O)C(C)C=CC1C\\C=C(\\C)C1(C)C,CCC(O)C(C)C=CC1C\C=C(\C)C1(C)C,"InChI=1/C15H26O/c1-6-14(16)11(2)7-9-13-10-8-12(3)15(13,4)5/h7-9,11,13-14,16H,6,10H2,1-5H3",C15H26O,,,,,,VMTWNGOLSSRRNR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.029,267-151-4,67801-31-4,"3-methyl-4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one","3-methyl-4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one",CC(=CC1CC(\\C)=C/C(C)C1C)C(C)=O,CC(=CC1CC(\C)=C/C(C)C1C)C(C)=O,"InChI=1/C14H22O/c1-9-6-10(2)12(4)14(7-9)8-11(3)13(5)15/h6,8,10,12,14H,7H2,1-5H3",C14H22O,,,,,,UBAUJRANUAYEKE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.033,267-156-1,67801-36-9,"<U+03B7>-1H-indol-1-yl-a,a,e-trimethyl-1H-indole-1-heptanol","8,8-di-1H-indol-1-yl-2,6-dimethyloctan-2-ol",CC(CCCC(C)(C)O)CC(n1ccc2ccccc12)n3ccc4ccccc34,CC(CCCC(C)(C)O)CC(n1ccc2ccccc12)n3ccc4ccccc34,"InChI=1/C26H32N2O/c1-20(9-8-16-26(2,3)29)19-25(27-17-14-21-10-4-6-12-23(21)27)28-18-15-22-11-5-7-13-24(22)28/h4-7,10-15,17-18,20,25,29H,8-9,16,19H2,1-3H3",C26H32N2O,,,,,,YKLKFIPZNHLBMW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.035,267-158-2,67801-38-1,"4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one","4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one",CC1CC(\\C)=C/C(C)C1C=CC(C)=O,CC1CC(\C)=C/C(C)C1C=CC(C)=O,"InChI=1/C13H20O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-7,10-11,13H,8H2,1-4H3",C13H20O,,,,,,FETSKTIMHFKZNF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.048,267-172-9,67801-53-0,"Dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate","dimethyl 4'-methylbiphenyl-2,5-dicarboxylate",COC(=O)c1ccc(C(=O)OC)c(c1)c2ccc(C)cc2,COC(=O)c1ccc(C(=O)OC)c(c1)c2ccc(C)cc2,"InChI=1/C17H16O4/c1-11-4-6-12(7-5-11)15-10-13(16(18)20-2)8-9-14(15)17(19)21-3/h4-10H,1-3H3",C17H16O4,,,,,,LETKDZPIJVKUHW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.052,267-177-6,67801-57-4,"Cobalt hydrogen benzene-1,2,4-tricarboxylate","cobalt(2+) hydrogen benzene-1,2,4-tricarboxylate",[Co+2].[O-]C(=O)c1ccc(C(=O)[O-])c(c1)C(=O)[O-],[Co+2].[O-]C(=O)c1ccc(C(=O)[O-])c(c1)C(=O)[O-],"InChI=1/C9H6O6.Co/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-3",C9H6O6.Co,,,,,,JOXRXGHKYLJVBK-UHFFFAOYSA-K,,,,,,,,,,,
100.061.053,267-178-1,67801-58-5,"Methyl 1-methyl-6-oxo-6H-dibenzo[b,d]pyran-4-carboxylate",methyl 1-methyl-6-oxo-6H-benzo[c]chromene-4-carboxylate,COC(=O)c1ccc(C)c2c1OC(=O)c3ccccc23,COC(=O)c1ccc(C)c2c1OC(=O)c3ccccc23,"InChI=1/C16H12O4/c1-9-7-8-12(15(17)19-2)14-13(9)10-5-3-4-6-11(10)16(18)20-14/h3-8H,1-2H3",C16H12O4,,,,,,KMKSTIMFSHHDHY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.388,266-448-6,66687-30-7,Sodium dihydrogen 5-(3-sulphonatopropoxy)isophthalate,sodium dihydrogen 5-(3-sulfonatopropoxy)isophthalate,[Na+].[O-]C(=O)c1cc(OCCCS(=O)(=O)[O-])cc(c1)C(=O)[O-],[Na+].[O-]C(=O)c1cc(OCCCS(=O)(=O)[O-])cc(c1)C(=O)[O-],"InChI=1/C11H12O8S.Na/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18;/h4-6H,1-3H2,(H,12,13)(H,14,15)(H,16,17,18);/q;+1/p-3",C11H12O8S.Na,,,,,,OPPAMCXEVPUKEF-UHFFFAOYSA-K,,,,,,,,,,,
100.060.403,266-464-3,66734-13-2,"7a-chloro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(propionate)","7-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate",CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3",C28H37ClO7,,,,,,DJHCCTTVDRAMEH-DUUJBDRPSA-N,,,,,,,,,,,
100.033.284,236-627-3,13453-37-7,Thallium triiodide,thallium triiodide,[I-].[I-].[I-].[Tl+].[Tl+].[Tl+],[I-].[I-].[I-].[Tl+].[Tl+].[Tl+],InChI=1/3HI.3Tl/h3*1H;;;/q;;;3*+1/p-3,I3Tl,,,,,,XMIFTXJESFFNFH-UHFFFAOYSA-K,,,,,,,,,,,
100.033.286,236-629-4,13453-66-2,Dilead pyrophosphate,dilead pyrophosphate,[Pb+2].[Pb+2].[O-]P([O-])(=O)OP([O-])([O-])=O,[Pb+2].[Pb+2].[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1/H4O7P2.2Pb.4H/c1-8(2,3)7-9(4,5)6;;;;;;/h(H2,1,2,3)(H2,4,5,6);;;;;;/q;2*+4;;;;/p-4/rH4O7P2.2H2Pb/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);2*1H2/q;2*+4/p-4",H4O7P2.2Pb,,,,,,CDZXKKXSZAMHFU-UHFFFAOYSA-J,,,,,,,,,,,
100.033.292,236-636-2,13453-87-7,Dilithium sulphite,dilithium sulfite,[Li+].[Li+].[O-]S(=O)[O-],[Li+].[Li+].[O-]S(=O)[O-],"InChI=1/2Li.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",H2O3S.2Li,,,,,,BBLSYMNDKUHQAG-UHFFFAOYSA-L,,,,,,,,,,,
100.036.656,240-338-8,16212-05-8,(allylsulphonyl)benzene,(allylsulfonyl)benzene,C=CCS(=O)(=O)c1ccccc1,C=CCS(=O)(=O)c1ccccc1,"InChI=1/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2",C9H10O2S,,,,,,KYPIULIVYSQNNT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.662,240-345-6,16216-31-2,"Tris(2,4,4-trimethylpentyl)aluminium","tris(2,4,4-trimethylpentyl)aluminum",CC(C[Al](CC(C)CC(C)(C)C)CC(C)CC(C)(C)C)CC(C)(C)C,CC(C[Al](CC(C)CC(C)(C)C)CC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/3C8H17.Al/c3*1-7(2)6-8(3,4)5;/h3*7H,1,6H2,2-5H3;/rC24H51Al/c1-19(13-22(4,5)6)16-25(17-20(2)14-23(7,8)9)18-21(3)15-24(10,11)12/h19-21H,13-18H2,1-12H3",C24H51Al,,,,,,XZIKSWMNFLIAQP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.664,240-347-7,16219-75-3,"5-ethylidene-8,9,10-trinorborn-2-ene",5-ethylidenebicyclo[2.2.1]hept-2-ene,CC=C2CC1/C=C\\C2C1,CC=C2CC1/C=C\C2C1,"InChI=1/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3",C9H12,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14846,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.664,OJOWICOBYCXEKR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.666,240-349-8,16222-66-5,Dithallium tris(sulphate),dithallium tris(sulphate),[Tl+].[Tl+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Tl+].[Tl+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Tl/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+1/p-6",H2O4S.2/3Tl,,,,,,QFBYWNPKSDZKKT-UHFFFAOYSA-H,,,,,,,,,,,
100.036.672,240-356-6,16239-18-2,"1,6-dibromo-2-naphthol","1,6-dibromo-2-naphthol",Oc1ccc2cc(Br)ccc2c1Br,Oc1ccc2cc(Br)ccc2c1Br,"InChI=1/C10H6Br2O/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12/h1-5,13H",C10H6Br2O,,,,,,VKESFYLPKHQOOA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.681,240-366-0,16259-78-2,O-benzyl-L-lysine bis(toluene-p-sulphonate),benzyl L-lysinate bis(4-methylbenzenesulfonate),Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.NCCCC[C@H](N)C(=O)OCc3ccccc3,Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.NCCCC[C@H](N)C(=O)OCc3ccccc3,"InChI=1/C13H20N2O2.2C7H8O3S/c14-9-5-4-8-12(15)13(16)17-10-11-6-2-1-3-7-11;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,12H,4-5,8-10,14-15H2;2*2-5H,1H3,(H,8,9,10)",C13H20N2O2.2C7H8O3S,,,,,,HKSGNVBOEXPQHJ-LTCKWSDVSA-N,,,,,,,,,,,
100.036.685,240-370-2,16263-37-9,Potassium phenylphosphinate,potassium phenylphosphinate,[K+].[O-]P(=O)c1ccccc1,[K+].[O-]P(=O)c1ccccc1,"InChI=1/C6H7O2P.K/c7-9(8)6-4-2-1-3-5-6;/h1-5,9H,(H,7,8);/q;+1/p-1",C6H7O2P.K,,,,,,VENHOSDSAVICHW-UHFFFAOYSA-M,,,,,,,,,,,
100.036.687,240-372-3,16268-92-1,"N,N',N''-triethyl-1,3,5-triazine-2,4,6-triamine","N,N',N''-triethyl-1,3,5-triazine-2,4,6-triamine",CCNc1nc(NCC)nc(NCC)n1,CCNc1nc(NCC)nc(NCC)n1,"InChI=1/C9H18N6/c1-4-10-7-13-8(11-5-2)15-9(14-7)12-6-3/h4-6H2,1-3H3,(H3,10,11,12,13,14,15)",C9H18N6,,,,,,LNCCBHFAHILMCT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.688,240-373-9,16268-98-7,"N,N',N''-tris(tert-butyl)-1,3,5-triazine-2,4,6-triamine","N,N',N''-tri-tert-butyl-1,3,5-triazine-2,4,6-triamine",CC(C)(C)Nc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1,CC(C)(C)Nc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1,"InChI=1/C15H30N6/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)21-15(7,8)9/h1-9H3,(H3,16,17,18,19,20,21)",C15H30N6,,,,,,XYKRYUFUYDCUFM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.693,240-379-1,16279-54-2,3-hydroxy-4-[(2-hydroxynaphthyl)azo]-7-nitronaphthalene-1-sulphonic acid,3-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]-7-nitronaphthalene-1-sulfonic acid,OS(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccc(cc34)[N+]([O-])=O,OS(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccc(cc34)[N+]([O-])=O,"InChI=1/C20H13N3O7S/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30/h1-10,24-25H,(H,28,29,30)",C20H13N3O7S,,,,,,SXYCCJAPZKHOLS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.694,240-380-7,16283-36-6,Zinc disalicylate,zinc bis(2-hydroxybenzoate),[Zn+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Zn+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C14H10O6Zn,,,,,,PZXFWBWBWODQCS-UHFFFAOYSA-L,,,,,,,,,,,
100.036.272,239-915-7,15817-15-9,Allyl 3-phenyloxirane-2-carboxylate,allyl 3-phenyloxirane-2-carboxylate,C=CCOC(=O)C1OC1c2ccccc2,C=CCOC(=O)C1OC1c2ccccc2,"InChI=1/C12H12O3/c1-2-8-14-12(13)11-10(15-11)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2",C12H12O3,,,,,,GOGSOMHYWHWPJL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.273,239-916-2,15819-11-1,"Tris(ethyl acetoacetato-O1',O3)iron",iron(3+) tris(4-ethoxy-4-oxobut-2-en-2-olate),CCOC(=O)C=C(C)O[Fe](OC(=CC(=O)OCC)C)OC(=CC(=O)OCC)C,CCOC(=O)C=C(C)O[Fe](OC(=CC(=O)OCC)C)OC(=CC(=O)OCC)C,"InChI=1/3C6H10O3.Fe/c3*1-3-9-6(8)4-5(2)7;/h3*4,7H,3H2,1-2H3;/q;;;+3/p-3",C18H27FeO9,,,,,,COGDMCDVKFTZRM-UHFFFAOYSA-K,,,,,,,,,,,
100.055.379,260-936-2,57764-54-2,"Ethyl 2,4-dihydroxyphenylglyoxylate","ethyl (2,4-dihydroxyphenyl)(oxo)acetate",CCOC(=O)C(=O)c1ccc(O)cc1O,CCOC(=O)C(=O)c1ccc(O)cc1O,"InChI=1/C10H10O5/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12/h3-5,11-12H,2H2,1H3",C10H10O5,,,,,,XVSYIVUDNMSUGE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.382,260-939-9,57772-64-2,Disuccinimido pentamethylenedicarbonate,"1,1'-[pentane-1,5-diylbis(oxycarbonyloxy)]dipyrrolidine-2,5-dione",O=C(OCCCCCOC(=O)ON1C(=O)CCC1=O)ON2C(=O)CCC2=O,O=C(OCCCCCOC(=O)ON1C(=O)CCC1=O)ON2C(=O)CCC2=O,InChI=1/C15H18N2O10/c18-10-4-5-11(19)16(10)26-14(22)24-8-2-1-3-9-25-15(23)27-17-12(20)6-7-13(17)21/h1-9H2,C15H18N2O10,,,,,,OIHHMUMDVHEYAA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.383,260-940-4,57773-81-6,"7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl pivalate","7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl pivalate",CC(C)(C)C(=O)OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,CC(C)(C)C(=O)OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,"InChI=1/C20H18Cl2N2O3/c1-20(2,3)19(26)27-18-17(25)23-15-9-8-11(21)10-13(15)16(24-18)12-6-4-5-7-14(12)22/h4-10,18H,1-3H3,(H,23,25)",C20H18Cl2N2O3,,,,,,JFOCMCPAFDDCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.388,260-946-7,57777-84-1,"1-[(4-nitrophenyl)sulphonyl]-1H-1,2,4-triazole","1-[(4-nitrophenyl)sulfonyl]-1H-1,2,4-triazole",[O-][N+](=O)c1ccc(cc1)S(=O)(=O)n2cncn2,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)n2cncn2,"InChI=1/C8H6N4O4S/c13-12(14)7-1-3-8(4-2-7)17(15,16)11-6-9-5-10-11/h1-6H",C8H6N4O4S,,,,,,HMNOLKQVFZCVIW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.392,260-950-9,57780-87-7,"9-chloro-11ß,17-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione","9-chloro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C,"InChI=1/C22H29ClO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3",C22H29ClO4,,,,,,PPHLHSSXDSBOAQ-DTAAKRQUSA-N,,,,,,,,,,,
100.055.399,260-958-2,57781-54-1,"2-bromo-6ß-fluoro-17,21-dihydroxy-16ß-methylpregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)","2-bromo-6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate",C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,"InChI=1/C26H30BrFO6/c1-13-8-18-16-9-21(28)19-10-22(31)20(27)11-24(19,4)17(16)6-7-25(18,5)26(13,34-15(3)30)23(32)12-33-14(2)29/h6,10-11,13,16,18,21H,7-9,12H2,1-5H3",C26H30BrFO6,,,,,,YUEHHSDUXVVLBM-LOGJLEGBSA-N,,,,,,,,,,,
100.061.006,267-126-8,67801-07-4,(E)-m-(trifluoromethyl)cinnamic acid,3-[3-(trifluoromethyl)phenyl]acrylic acid,OC(=O)\\C=C\\c1cccc(c1)C(F)(F)F,OC(=O)\C=C\c1cccc(c1)C(F)(F)F,"InChI=1/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)",C10H7F3O2,,,,,,KSBWHDDGWSYETA-SNAWJCMRSA-N,,,,,,,,,,,
100.061.010,267-131-5,67801-11-0,"5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-ol","5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol",CC(O)CC=CC1C\\C=C(\\C)C1(C)C,CC(O)CC=CC1C\C=C(\C)C1(C)C,"InChI=1/C13H22O/c1-10-8-9-12(13(10,3)4)7-5-6-11(2)14/h5,7-8,11-12,14H,6,9H2,1-4H3",C13H22O,,,,,,CVCLDEPKPXKLLE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.012,267-133-6,67801-13-2,"3-(2,2-dimethyl-6-methylenecyclohexyl)methacrylaldehyde","3-(2,2-dimethyl-6-methylenecyclohexyl)-2-methylacrylaldehyde",C\\C(=C\\C1C(=C)CCCC1(C)C)\\C=O,C\C(=C\C1C(=C)CCCC1(C)C)\C=O,"InChI=1/C13H20O/c1-10(9-14)8-12-11(2)6-5-7-13(12,3)4/h8-9,12H,2,5-7H2,1,3-4H3",C13H20O,,,,,,LLJNTMFCLMRXSC-NTMALXAHSA-N,,,,,,,,,,,
100.058.722,264-613-7,64026-45-5,"Dihydro-2,5-dimethylfuran-3(2H)-one","2,5-dimethyldihydrofuran-3(2H)-one",CC1CC(=O)C(C)O1,CC1CC(=O)C(C)O1,"InChI=1/C6H10O2/c1-4-3-6(7)5(2)8-4/h4-5H,3H2,1-2H3",C6H10O2,,,,,,PAZYIUKTJFPTKT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.724,264-615-8,64036-72-2,4-methylbenzothiazol-2-amine monohydrochloride,"4-methyl-1,3-benzothiazol-2-amine hydrochloride",Cl.Cc1cccc2sc(N)nc12,Cl.Cc1cccc2sc(N)nc12,"InChI=1/C8H8N2S.ClH/c1-5-3-2-4-6-7(5)10-8(9)11-6;/h2-4H,1H3,(H2,9,10);1H",C8H8N2S.ClH,,,,,,KNAIBOSDRKAJKG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.725,264-616-3,64038-06-8,"5,5-diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, monosodium salt",-,[Na+].CCC1(CC)C(=O)NC(=S)NC1=O,[Na+].CCC1(CC)C(=O)NC(=S)NC1=O,"InChI=1/C8H12N2O2S.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1",C8H12N2O2S.Na,,,,,,MDXJQOMLGMACCV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.726,264-617-9,64038-57-9,"2,3-dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylic acid","3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid",CN1C(=S)NC=C1C(=O)O,CN1C(=S)NC=C1C(=O)O,"InChI=1/C5H6N2O2S/c1-7-3(4(8)9)2-6-5(7)10/h2H,1H3,(H,6,10)(H,8,9)",C5H6N2O2S,,,,,,LFWHYTJUOBEPMU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.731,264-623-1,64051-24-7,Diethylammonium bis[2-(hexyloxy)ethyl] phosphate,N-ethylethanaminium bis[2-(hexyloxy)ethyl] phosphate,CCCCCCOCCOP(=O)([O-])OCCOCCCCCC.CC[NH2+]CC,CCCCCCOCCOP(=O)([O-])OCCOCCCCCC.CC[NH2+]CC,"InChI=1/C16H35O6P.C4H11N/c1-3-5-7-9-11-19-13-15-21-23(17,18)22-16-14-20-12-10-8-6-4-2;1-3-5-4-2/h3-16H2,1-2H3,(H,17,18);5H,3-4H2,1-2H3",C16H35O6P.C4H11N,,,,,,QDSQRWVNSFBMNU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.249,238-790-6,14732-17-3,Samarium triiodate,-,[Sm+2].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Sm+2].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.Sm/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+2/p-3",HIO3.1/3Sm,,,,,,JBNDJQMUROANTJ-UHFFFAOYSA-K,,,,,,,,,,,
100.036.875,240-579-9,16510-49-9,"1,1',1''-(1-cyclopropene-1,2,3-triyl)trisbenzene","1,1',1''-cycloprop-1-ene-1,2,3-triyltribenzene",c1ccc(cc1)C2C(=C2c3ccccc3)c4ccccc4,c1ccc(cc1)C2C(=C2c3ccccc3)c4ccccc4,"InChI=1/C21H16/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)21(19)18-14-8-3-9-15-18/h1-15,19H",C21H16,,,,,,UFTDGVXRVMJEDI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.887,240-593-5,16527-81-4,Zinc ethyl phosphate,zinc ethyl phosphate,[Zn+2].CCOP(=O)([O-])[O-],[Zn+2].CCOP(=O)([O-])[O-],"InChI=1/C2H7O4P.Zn/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);/q;+2/p-2",C2H7O4P.Zn,,,,,,UACZWEHNJDEXJP-UHFFFAOYSA-L,,,,,,,,,,,
100.036.888,240-594-0,16527-88-1,Pyridine 1-oxide hydrochloride,pyridine 1-oxide hydrochloride,Cl.[O-][n+]1ccccc1,Cl.[O-][n+]1ccccc1,InChI=1/C5H5NO.ClH/c7-6-4-2-1-3-5-6;/h1-5H;1H,C5H5NO.ClH,,,,,,DZJLJUXZISUCGU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.892,240-598-2,16530-70-4,Ammonium decanoate,ammonium decanoate,[NH4+].CCCCCCCCCC(=O)[O-],[NH4+].CCCCCCCCCC(=O)[O-],"InChI=1/C10H20O2.H3N/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);1H3",C10H20O2.H3N,,,,,,CJIAXHWXANNZPB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.894,240-600-1,16530-72-6,"Octanoic acid, compound with 2,2'-iminodiethanol (1:1)","octanoic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCC(=O)O.OCCNCCO,CCCCCCCC(=O)O.OCCNCCO,"InChI=1/C8H16O2.C4H11NO2/c1-2-3-4-5-6-7-8(9)10;6-3-1-5-2-4-7/h2-7H2,1H3,(H,9,10);5-7H,1-4H2",C8H16O2.C4H11NO2,,,,,,YKHDBTDLVBKFDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.899,240-605-9,16533-77-0,4-hydroxy-DL-tryptophan,4-hydroxy-L-tryptophan,N[C@@H](Cc1c[nH]c2cccc(O)c12)C(=O)O,N[C@@H](Cc1c[nH]c2cccc(O)c12)C(=O)O,"InChI=1/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)",C11H12N2O3,,,,,,QSHLMQDRPXXYEE-ZETCQYMHSA-N,,,,,,,,,,,
100.036.902,240-609-0,16544-21-1,"2-fluoro-2,2-dinitroethyl acrylate","2-fluoro-2,2-dinitroethyl acrylate",[O-][N+](=O)C(F)(COC(=O)C=C)[N+](=O)[O-],[O-][N+](=O)C(F)(COC(=O)C=C)[N+](=O)[O-],"InChI=1/C5H5FN2O6/c1-2-4(9)14-3-5(6,7(10)11)8(12)13/h2H,1,3H2",C5H5FN2O6,,,,,,SVLVXRRQKCWWRO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.904,240-611-1,16545-11-2,Guamecycline,"N-{[4-(carbamimidoylcarbamimidoyl)piperazin-1-yl]methyl}-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CC4)C(=N)NC(=N)N)C(=O)c5c(O)cccc5[C@@]3(C)O,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CC4)C(=N)NC(=N)N)C(=O)c5c(O)cccc5[C@@]3(C)O,"InChI=1/C29H38N8O8/c1-28(44)13-5-4-6-16(38)17(13)21(39)18-14(28)11-15-20(35(2)3)22(40)19(24(42)29(15,45)23(18)41)25(43)33-12-36-7-9-37(10-8-36)27(32)34-26(30)31/h4-6,14-15,20,38,40-41,44-45H,7-12H2,1-3H3,(H,33,43)(H5,30,31,32,34)",C29H38N8O8,,,,,,DIRJDIBCAHCCFL-AQFAATAFSA-N,,,,,,,,,,,
100.036.906,240-613-2,16545-54-3,"Ditetradecyl 3,3'-thiobispropionate","ditetradecyl 3,3'-sulfanediyldipropanoate",CCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/C34H66O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-33(35)27-31-39-32-28-34(36)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C34H66O4S,,,,,,LVEOKSIILWWVEO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.559,242-431-9,18592-13-7,6-(chloromethyl)uracil,"6-(chloromethyl)pyrimidine-2,4(1H,3H)-dione",ClCC1=CC(=O)NC(=O)N1,ClCC1=CC(=O)NC(=O)N1,"InChI=1/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)",C5H5ClN2O2,,,,,,VCFXBAPEXBTNEA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.563,242-436-6,18598-71-5,Methyl L-argininate monohydrochloride,methyl L-argininate hydrochloride,Cl.COC(=O)[C@@H](N)CCCNC(=N)N,Cl.COC(=O)[C@@H](N)CCCNC(=N)N,"InChI=1/C7H16N4O2.ClH/c1-13-6(12)5(8)3-2-4-11-7(9)10;/h5H,2-4,8H2,1H3,(H4,9,10,11);1H",C7H16N4O2.ClH,,,,,,XKVHMRBXIJTLBM-JEDNCBNOSA-N,,,,,,,,,,,
100.038.566,242-439-2,18599-21-8,"1,6-dibromo-1,1,2,2-tetrafluorohexane","1,6-dibromo-1,1,2,2-tetrafluorohexane",FC(F)(Br)C(F)(F)CCCCBr,FC(F)(Br)C(F)(F)CCCCBr,"InChI=1/C6H8Br2F4/c7-4-2-1-3-5(9,10)6(8,11)12/h1-4H2",C6H8Br2F4,,,,,,MSCYBLFBOITJFS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.568,242-441-3,18600-42-5,4-nitrobenzylammonium hydrochloride,-,Cl.[NH3+]Cc1ccc(cc1)[N+](=O)[O-],Cl.[NH3+]Cc1ccc(cc1)[N+](=O)[O-],"InChI=1/C7H8N2O2.ClH/c8-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H/p+1",C7H8N2O2.ClH,,,,,,SMIXZZMSWYOQPW-UHFFFAOYSA-O,,,,,,,,,,,
100.038.571,242-445-5,18604-34-7,"a-l-Sorbopyranose, 1,2-O-(1-methylethylidene)-","1,2-O-isopropylidene-alpha-L-sorbopyranose",CC1(C)OC[C@]2(OC[C@H](O)[C@@H](O)[C@@H]2O)O1,CC1(C)OC[C@]2(OC[C@H](O)[C@@H](O)[C@@H]2O)O1,"InChI=1/C9H16O6/c1-8(2)14-4-9(15-8)7(12)6(11)5(10)3-13-9/h5-7,10-12H,3-4H2,1-2H3",C9H16O6,,,,,,NCPKAWHTYZABFG-XQXXSGGOSA-N,,,,,,,,,,,
100.038.593,242-469-6,18640-58-9,1-(4-bromo-3-nitrophenyl)ethan-1-one,1-(4-bromo-3-nitrophenyl)ethanone,CC(=O)c1ccc(Br)c(c1)[N+](=O)[O-],CC(=O)c1ccc(Br)c(c1)[N+](=O)[O-],"InChI=1/C8H6BrNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3",C8H6BrNO3,,,,,,YFVOFFKNHQTQQE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.417,266-480-0,66793-73-5,"3,4,4-trimethylhexan-1-ol","3,4,4-trimethylhexan-1-ol",CCC(C)(C)C(C)CCO,CCC(C)(C)C(C)CCO,"InChI=1/C9H20O/c1-5-9(3,4)8(2)6-7-10/h8,10H,5-7H2,1-4H3",C9H20O,,,,,,OLRPKAJSAOYYCY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.421,266-484-2,66803-04-1,"N,N'-ethylenebis-D-gluconamide","N,N'-ethane-1,2-diylbis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name)",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C14H28N2O12/c17-3-5(19)7(21)9(23)11(25)13(27)15-1-2-16-14(28)12(26)10(24)8(22)6(20)4-18/h5-12,17-26H,1-4H2,(H,15,27)(H,16,28)",C14H28N2O12,,,,,,UYCIRQBRYNXQBW-TWOHWVPZSA-N,,,,,,,,,,,
100.055.454,261-018-4,57933-83-2,Isopropenyl chloroformate,isopropenyl chlorocarbonate,CC(=C)OC(=O)Cl,CC(=C)OC(=O)Cl,"InChI=1/C4H5ClO2/c1-3(2)7-4(5)6/h1H2,2H3",C4H5ClO2,,,,,,AMMGCGVWJMRTQI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.459,261-024-7,57935-01-0,"(E,E)-1-(6-ethylidene-2,2-dimethylcyclohexyl)-2-buten-1-one","1-(6-ethylidene-2,2-dimethylcyclohexyl)but-2-en-1-one",CC1(C)CCCC(=CC)C1C(=O)\\C=C\\C,CC1(C)CCCC(=CC)C1C(=O)\C=C\C,"InChI=1/C14H22O/c1-5-8-12(15)13-11(6-2)9-7-10-14(13,3)4/h5-6,8,13H,7,9-10H2,1-4H3",C14H22O,,,,,,SGYVCFIGWBOWST-LBJVRCIWSA-N,,,,,,,,,,,
100.055.462,261-027-3,57938-86-0,Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino](4-hydroxyphenyl)acetate,potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](4-hydroxyphenyl)acetate,[K+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OCC)C([O-])=O,[K+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OCC)C([O-])=O,"InChI=1/C14H17NO5.K/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-8,13,15-16H,3H2,1-2H3,(H,18,19);/q;+1/p-1",C14H17NO5.K,,,,,,KCIVNTJLAYJMEK-BTQNPOSSSA-M,,,,,,,,,,,
100.055.464,261-029-4,57943-67-6,Phenethyl nonanoate,2-phenylethyl nonanoate,CCCCCCCCC(=O)OCCc1ccccc1,CCCCCCCCC(=O)OCCc1ccccc1,"InChI=1/C17H26O2/c1-2-3-4-5-6-10-13-17(18)19-15-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3",C17H26O2,,,,,,AFBMLGHBGGLHOF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.468,261-034-1,57946-56-2,4-chloro-2-fluoroaniline,4-chloro-2-fluoroaniline,Nc1ccc(Cl)cc1F,Nc1ccc(Cl)cc1F,"InChI=1/C6H5ClFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",C6H5ClFN,,,,,,CSFDTBRRIBJILD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.474,261-040-4,57963-09-4,6-benzylpyridin-2-amine,6-benzylpyridin-2-amine,Nc1cccc(Cc2ccccc2)n1,Nc1cccc(Cc2ccccc2)n1,"InChI=1/C12H12N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)",C12H12N2,,,,,,HVYIQDPDESDLFU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.478,261-045-1,57967-69-8,"[2a,5a,(R*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol","2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol",CC1CCC2(O1)C(C)(C)CCCC2(C)O,CC1CCC2(O1)C(C)(C)CCCC2(C)O,"InChI=1/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3",C13H24O2,,,,,,LJOISVFAMDWVFA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.479,261-046-7,57967-70-1,"[2a,5ß(R*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol","2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol",CC1CCC2(O1)C(C)(C)CCCC2(C)O,CC1CCC2(O1)C(C)(C)CCCC2(C)O,"InChI=1/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3",C13H24O2,,,,,,LJOISVFAMDWVFA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.480,261-047-2,57967-71-2,"[2a,5ß(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol","2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol",CC1CCC2(O1)C(C)(C)CCCC2(C)O,CC1CCC2(O1)C(C)(C)CCCC2(C)O,"InChI=1/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3",C13H24O2,,,,,,LJOISVFAMDWVFA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.003,264-923-2,64501-15-1,Tris(2-hydroxyethyl)ammonium hexyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium hexyl sulfate",CCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C6H15NO3.C6H14O4S/c8-4-1-7(2-5-9)3-6-10;1-2-3-4-5-6-10-11(7,8)9/h8-10H,1-6H2;2-6H2,1H3,(H,7,8,9)",C6H15NO3.C6H14O4S,,,,,,WPRMJVWIJNAMSG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.006,264-926-9,64503-07-7,Benzyl dibromoacetate,benzyl dibromoacetate,BrC(Br)C(=O)OCc1ccccc1,BrC(Br)C(=O)OCc1ccccc1,"InChI=1/C9H8Br2O2/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5,8H,6H2",C9H8Br2O2,,,,,,QYFPTUAHIPBRJK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.013,264-934-2,64509-08-6,Sodium hexadecadienyl sulphate,"sodium hexadeca-1,3-dien-1-yl sulfate",[Na+].[O-]S(=O)(=O)OC=CC=CCCCCCCCCCCCC,[Na+].[O-]S(=O)(=O)OC=CC=CCCCCCCCCCCCC,"InChI=1/C16H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h13-16H,2-12H2,1H3,(H,17,18,19);/q;+1/p-1",C16H30O4S.Na,,,,,,IKRJVACGOSIRMP-UHFFFAOYSA-M,,,,,,,,,,,
100.059.016,264-937-9,64527-57-7,"N,N-diethyl-N'-[(isopropyl)carbonimidoyl]propane-1,3-diamine",N-[3-(diethylamino)propyl]-N'-isopropylcarbodiimide,CCN(CC)CCCN=C=NC(C)C,CCN(CC)CCCN=C=NC(C)C,"InChI=1/C11H23N3/c1-5-14(6-2)9-7-8-12-10-13-11(3)4/h11H,5-9H2,1-4H3",C11H23N3,,,,,,GXBUDKQFSZDRHN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.026,264-948-9,64577-91-9,[2-(1-butoxyethoxy)ethyl]benzene,[2-(1-butoxyethoxy)ethyl]benzene,CCCCOC(C)OCCc1ccccc1,CCCCOC(C)OCCc1ccccc1,"InChI=1/C14H22O2/c1-3-4-11-15-13(2)16-12-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3",C14H22O2,,,,,,JBEADRDKGADTFN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.275,239-918-3,15821-36-0,"6-(but-3-en-1-yl)-1,3,5-triazine-2,4-diamine","6-but-3-en-1-yl-1,3,5-triazine-2,4-diamine",Nc1nc(N)nc(CCC=C)n1,Nc1nc(N)nc(CCC=C)n1,"InChI=1/C7H11N5/c1-2-3-4-5-10-6(8)12-7(9)11-5/h2H,1,3-4H2,(H4,8,9,10,11,12)",C7H11N5,,,,,,NUIMPSFZBALNHW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.278,239-922-5,15824-23-4,4-[(6-hydroxy-5-nitro-m-tolyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one,"4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c3cc(C)cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c3O,[O-][N+](=O)c3cc(C)cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c3O,"InChI=1/C17H15N5O4/c1-10-8-13(16(23)14(9-10)22(25)26)18-19-15-11(2)20-21(17(15)24)12-6-4-3-5-7-12/h3-9,15,23H,1-2H3",C17H15N5O4,,,,,,KWJWDVPQMWEOCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.282,239-926-7,15826-37-6,"Disodium 5,5'-[(2-hydroxytrimethylene)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate]","disodium 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)",[Na+].[Na+].OC(COc1cccc2OC(=CC(=O)c12)C(=O)[O-])COc3cccc4OC(=CC(=O)c34)C(=O)[O-],[Na+].[Na+].OC(COc1cccc2OC(=CC(=O)c12)C(=O)[O-])COc3cccc4OC(=CC(=O)c34)C(=O)[O-],"InChI=1/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2",C23H16O11.2Na,,,,,,VLARUOGDXDTHEH-UHFFFAOYSA-L,,,,,,,,,,,
100.036.284,239-928-8,15826-91-2,"N-[2,3,4,5,6-2H5]phenylacetamide",N-phenylacetamide,CC(=O)Nc1ccccc1,CC(=O)Nc1ccccc1,"InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",C8H4D5NO,,,,,,FZERHIULMFGESH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.288,239-933-5,15829-24-0,(Z)-N-[2-(1-piperazinyl)ethyl]-9-octadecenamide,N-(2-piperazin-1-ylethyl)octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCN1CCNCC1,CCCCCCCC\C=C/CCCCCCCC(=O)NCCN1CCNCC1,"InChI=1/C24H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)26-20-23-27-21-18-25-19-22-27/h9-10,25H,2-8,11-23H2,1H3,(H,26,28)",C24H47N3O,,,,,,SPLYNJJTDYSFQK-KTKRTIGZSA-N,,,,,,,,,,,
100.036.290,239-935-6,15830-97-4,"1,4-bis[(2-phenylethyl)amino]anthraquinone","1,4-bis[(2-phenylethyl)amino]-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(NCCc4ccccc4)ccc(NCCc5ccccc5)c13,O=C1c2ccccc2C(=O)c3c(NCCc4ccccc4)ccc(NCCc5ccccc5)c13,"InChI=1/C30H26N2O2/c33-29-23-13-7-8-14-24(23)30(34)28-26(32-20-18-22-11-5-2-6-12-22)16-15-25(27(28)29)31-19-17-21-9-3-1-4-10-21/h1-16,31-32H,17-20H2",C30H26N2O2,,,,,,AOJCELGWFFJVFH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.292,239-937-7,15834-04-5,"2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate","3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate (non-preferred name)",CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC,CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC,"InChI=1/C25H44O8/c1-5-9-13-21(26)30-17-25(18-31-22(27)14-10-6-2,19-32-23(28)15-11-7-3)20-33-24(29)16-12-8-4/h5-20H2,1-4H3",C25H44O8,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13354,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.292,ZQYCVIGMGPFQQS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.297,239-942-4,15837-08-8,"3,9-dihydro-3,9-dimethyl-1H-purine-2,6-dione","3,9-dimethyl-3,9-dihydro-1H-purine-2,6-dione",CN1C(=O)NC(=O)c2ncn(C)c12,CN1C(=O)NC(=O)c2ncn(C)c12,"InChI=1/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)",C7H8N4O2,,,,,,HEOWZFHIJSYJIC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.313,239-960-2,15847-65-1,1-(4-phenylpiperidin-4-yl)butan-1-one hydrochloride,1-(4-phenylpiperidin-4-yl)butan-1-one hydrochloride,Cl.CCCC(=O)C1(CCNCC1)c2ccccc2,Cl.CCCC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C15H21NO.ClH/c1-2-6-14(17)15(9-11-16-12-10-15)13-7-4-3-5-8-13;/h3-5,7-8,16H,2,6,9-12H2,1H3;1H",C15H21NO.ClH,,,,,,SABJIJOJSHRGSB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.385,259-842-4,55827-51-5,"1-(1,3-benzodioxol-5-yl)piperazine","1-(1,3-benzodioxol-5-yl)piperazine",C1CN(CCN1)c2ccc3OCOc3c2,C1CN(CCN1)c2ccc3OCOc3c2,"InChI=1/C11H14N2O2/c1-2-10-11(15-8-14-10)7-9(1)13-5-3-12-4-6-13/h1-2,7,12H,3-6,8H2",C11H14N2O2,,,,,,QNCWKECHSBDMPF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.389,259-847-1,55836-71-0,p-ethoxybenzamide,4-ethoxybenzamide,CCOc1ccc(cc1)C(=O)N,CCOc1ccc(cc1)C(=O)N,"InChI=1/C9H11NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)",C9H11NO2,,,,,,AZEIRPAUJXANCS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.410,259-870-7,55864-55-6,Potassium 2-thienylacetate,potassium 2-thienylacetate,[K+].[O-]C(=O)Cc1cccs1,[K+].[O-]C(=O)Cc1cccs1,"InChI=1/C6H6O2S.K/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H,7,8);/q;+1/p-1",C6H6O2S.K,,,,,,VYQLXFDWYFQLHL-UHFFFAOYSA-M,,,,,,,,,,,
100.054.414,259-874-9,55875-42-8,"N,N-dimethyl-4-(2-nitro-1-propenyl)-m-toluidine","N,N,3-trimethyl-4-(2-nitroprop-1-en-1-yl)aniline",CN(C)c1cc(C)c(C=C(C)[N+]([O-])=O)cc1,CN(C)c1cc(C)c(C=C(C)[N+]([O-])=O)cc1,"InChI=1/C12H16N2O2/c1-9-7-12(13(3)4)6-5-11(9)8-10(2)14(15)16/h5-8H,1-4H3",C12H16N2O2,,,,,,JVMSKGOQBHOVAB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.311,236-657-7,13457-98-2,2-(p-chlorophenylthio)ethanol,2-[(4-chlorophenyl)sulfanyl]ethanol,OCCSc1ccc(Cl)cc1,OCCSc1ccc(Cl)cc1,"InChI=1/C8H9ClOS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2",C8H9ClOS,,,,,,HHIWVLZQIJUIPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.740,264-633-6,64051-42-9,"1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(docosenyl)pyrrolidine-2,5-dione]","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis(3-docos-1-en-1-ylpyrrolidine-2,5-dione)",O=C2CC(C=CCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C60H111N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-55-53-57(66)64(59(55)68)51-49-62-47-45-61-46-48-63-50-52-65-58(67)54-56(60(65)69)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-44,55-56,61-63H,3-40,45-54H2,1-2H3",C60H111N5O4,,,,,,CEZPZWVIPDOYIN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.746,264-639-9,64051-54-3,"1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(hexatriacontenyl)pyrrolidine-2,5-dione]","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis(3-hexatriacont-1-en-1-ylpyrrolidine-2,5-dione)",O=C2CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C88H167N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-83-81-85(94)92(87(83)96)79-77-90-75-73-89-74-76-91-78-80-93-86(95)82-84(88(93)97)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h69-72,83-84,89-91H,3-68,73-82H2,1-2H3",C88H167N5O4,,,,,,ALSVSEQKAHYSSP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.749,264-643-0,64051-60-1,3-(hexatriacontenyl)succinic anhydride,"3-hexatriacont-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C40H74O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-37-39(41)43-40(38)42/h35-36,38H,2-34,37H2,1H3",C40H74O3,,,,,,NEHHNLSBIICULC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.377,266-436-0,66644-82-4,"Methyl 2,3-dimethoxy-5-sulphamoylbenzoate","methyl 2,3-dimethoxy-5-sulfamoylbenzoate",COC(=O)c1cc(cc(OC)c1OC)S(=O)(=O)N,COC(=O)c1cc(cc(OC)c1OC)S(=O)(=O)N,"InChI=1/C10H13NO6S/c1-15-8-5-6(18(11,13)14)4-7(9(8)16-2)10(12)17-3/h4-5H,1-3H3,(H2,11,13,14)",C10H13NO6S,,,,,,LLPQAUJOSNFUSU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.381,266-440-2,66656-67-5,2-isopropyl-5-methylhexanal,2-isopropyl-5-methylhexanal,CC(C)CCC(C=O)C(C)C,CC(C)CCC(C=O)C(C)C,"InChI=1/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h7-10H,5-6H2,1-4H3",C10H20O,,,,,,STZPMOIAPWTLNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.385,266-444-4,66671-91-8,"N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-4-methoxy-5-[(1-methylpentyl)amino]phenyl]acetamide","N-{2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-4-methoxy-5-[(1-methylpentyl)amino]phenyl}acetamide",COc2cc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)[N+]([O-])=O)c(cc2NC(C)CCCC)NC(C)=O,COc2cc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)[N+]([O-])=O)c(cc2NC(C)CCCC)NC(C)=O,"InChI=1/C22H25N7O6/c1-5-6-7-13(2)24-19-10-17(25-14(3)30)18(11-21(19)35-4)26-27-22-15(12-23)8-16(28(31)32)9-20(22)29(33)34/h8-11,13,24H,5-7H2,1-4H3,(H,25,30)",C22H25N7O6,,,,,,NBZOZPOZCNYOOL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.386,266-446-5,66684-57-9,"1,2,5-trifluoro-3-nitrobenzene","1,2,5-trifluoro-3-nitrobenzene",[O-][N+](=O)c1cc(F)cc(F)c1F,[O-][N+](=O)c1cc(F)cc(F)c1F,InChI=1/C6H2F3NO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,C6H2F3NO2,,,,,,MXOQPGDHOAMPJW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.387,266-447-0,66684-58-0,"1,2,3-trifluoro-5-nitrobenzene","1,2,3-trifluoro-5-nitrobenzene",[O-][N+](=O)c1cc(F)c(F)c(F)c1,[O-][N+](=O)c1cc(F)c(F)c(F)c1,InChI=1/C6H2F3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,C6H2F3NO2,,,,,,PTTUMBGORBMNBN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.405,260-965-0,57808-37-4,Tripropyltin laurate,tripropylstannanylium laurate,CCCCCCCCCCCC(=O)[O-].CCC[Sn+](CCC)CCC,CCCCCCCCCCCC(=O)[O-].CCC[Sn+](CCC)CCC,"InChI=1/C12H24O2.3C3H7.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-2;/h2-11H2,1H3,(H,13,14);3*1,3H2,2H3;/q;;;;+1/p-1/rC12H24O2.C9H21Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7-10(8-5-2)9-6-3/h2-11H2,1H3,(H,13,14);4-9H2,1-3H3/q;+1/p-1",C21H44O2Sn,,,,,,GBVHWVQKJWLJKO-UHFFFAOYSA-M,,,,,,,,,,,
100.055.407,260-967-1,57808-65-8,Closantel,"N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide",Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O,"InChI=1/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)",C22H14Cl2I2N2O2,,,,,,JMPFSEBWVLAJKM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.408,260-968-7,57808-66-9,Domperidone,"5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one",Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1,Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1,"InChI=1/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)",C22H24ClN5O2,,,,,,FGXWKSZFVQUSTL-UHFFFAOYSA-N,Positive/Negative,SM851701,[M+H]+,HCD35,175.0866:426.1691:147.0552,CASMI_2016,SM851751,[M-H]-,HCD35,424.1549:167.0017:133.0405,CASMI_2016
100.038.594,242-470-1,18640-74-9,2-isobutylthiazole,"2-isobutyl-1,3-thiazole",CC(C)Cc1nccs1,CC(C)Cc1nccs1,"InChI=1/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3",C7H11NS,,,,,,CMPVUVUNJQERIT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.596,242-472-2,18643-08-8,Chlorodimethyloctadecylsilane,chloro(dimethyl)octadecylsilane,CCCCCCCCCCCCCCCCCC[Si](C)(C)Cl,CCCCCCCCCCCCCCCCCC[Si](C)(C)Cl,"InChI=1/C20H43ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21/h4-20H2,1-3H3",C20H43ClSi,,,,,,GZGREZWGCWVAEE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.597,242-473-8,18643-32-8,"4,4'-methylenebis[N-(2,3-epoxypropyl)-N-methylaniline]","4,4'-methylenebis[N-methyl-N-(oxiran-2-ylmethyl)aniline]",CN(CC1CO1)c2ccc(Cc3ccc(cc3)N(C)CC4CO4)cc2,CN(CC1CO1)c2ccc(Cc3ccc(cc3)N(C)CC4CO4)cc2,"InChI=1/C21H26N2O2/c1-22(12-20-14-24-20)18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23(2)13-21-15-25-21/h3-10,20-21H,11-15H2,1-2H3",C21H26N2O2,,,,,,CXXISLZOPXKTTK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.805,237-202-5,13686-66-3,"N,N-diethyl-1,1-dimethylsilylamine","N,N-diethyl-1,1-dimethylsilanamine",CCN(CC)[SiH](C)C,CCN(CC)[SiH](C)C,"InChI=1/C6H17NSi/c1-5-7(6-2)8(3)4/h8H,5-6H2,1-4H3",C6H17NSi,,,,,,KYIHWAKEVGKFOA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.806,237-203-0,13688-90-9,Trichloro[4-(chloromethyl)phenyl]silane,trichloro[4-(chloromethyl)phenyl]silane,ClCc1ccc(cc1)[Si](Cl)(Cl)Cl,ClCc1ccc(cc1)[Si](Cl)(Cl)Cl,"InChI=1/C7H6Cl4Si/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2",C7H6Cl4Si,,,,,,YBYBQFPZMKPGPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.814,237-211-4,13692-98-3,Disamarium trisulphate,disamarium trisulphate,[Sm+2].[Sm+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Sm+2].[Sm+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Sm/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+2/p-6",H2O4S.2/3Sm,,,,,,MPMIQOWHRPVDPO-UHFFFAOYSA-H,,,,,,,,,,,
100.033.824,237-222-4,13701-59-2,Barium diboron tetraoxide,-,[Ba+2].[O-]B=O.[O-]B=O,[Ba+2].[O-]B=O.[O-]B=O,InChI=1/2BO2.Ba/c2*2-1-3;/q2*-1;+2,BHO2.1/2Ba,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15812,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.824,QBLDFAIABQKINO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.827,237-226-6,13701-70-7,Divanadium tris(sulphate),divanadium tris(sulphate),[V+2].[V+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[V+2].[V+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2V/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+2/p-6",H2O4S.2/3V,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10023,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.827,XNIHRVHUBXGUOI-UHFFFAOYSA-H,,,,,,,,,,,
100.033.841,237-241-8,13706-86-0,"5-methylhexane-2,3-dione","5-methylhexane-2,3-dione",CC(C)CC(=O)C(=O)C,CC(C)CC(=O)C(=O)C,"InChI=1/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3",C7H12O2,,,,,,PQCLJXVUAWLNSV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.843,237-243-9,13707-65-8,Potassium 2-biphenylate,potassium biphenyl-2-olate,[K+].[O-]c1ccccc1c2ccccc2,[K+].[O-]c1ccccc1c2ccccc2,"InChI=1/C12H10O.K/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1",C12H10O.K,,,,,,HSDKCIYHTPCVAU-UHFFFAOYSA-M,,,,,,,,,,,
100.033.846,237-247-0,13708-63-9,Terbium trifluoride,terbium(3+) trifluoride,[F-].[F-].[F-].[Tb+3],[F-].[F-].[F-].[Tb+3],InChI=1/3FH.Tb/h3*1H;/q;;;+3/p-3,F3Tb,,,,,,LKNRQYTYDPPUOX-UHFFFAOYSA-K,,,,,,,,,,,
100.033.852,237-253-3,13709-42-7,Neodymium trifluoride,neodymium trifluoride,[F-].[F-].[F-].[Nd+3],[F-].[F-].[F-].[Nd+3],InChI=1/3FH.Nd/h3*1H;/q;;;+3/p-3,F3Nd,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10141,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.852,XRADHEAKQRNYQQ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.853,237-254-9,13709-46-1,Praseodymium trifluoride,praseodymium trifluoride,[F-].[F-].[F-].[Pr+3],[F-].[F-].[F-].[Pr+3],InChI=1/3FH.Pr/h3*1H;/q;;;+3/p-3,F3Pr,,,,,,BOTHRHRVFIZTGG-UHFFFAOYSA-K,,,,,,,,,,,
100.033.854,237-255-4,13709-47-2,Scandium trifluoride,scandium trifluoride,[F-].[F-].[F-].[Sc+3],[F-].[F-].[F-].[Sc+3],InChI=1/3FH.Sc/h3*1H;/q;;;+3/p-3,F3Sc,,,,,,OEKDNFRQVZLFBZ-UHFFFAOYSA-K,,,,,,,,,,,
100.036.918,240-626-3,16562-77-9,Sodium 2-oxopropanesulphonate,sodium 2-oxopropane-1-sulfonate,[Na+].CC(=O)CS(=O)(=O)[O-],[Na+].CC(=O)CS(=O)(=O)[O-],"InChI=1/C3H6O4S.Na/c1-3(4)2-8(5,6)7;/h2H2,1H3,(H,5,6,7);/q;+1/p-1",C3H6O4S.Na,,,,,,VJKBASZAUBWVDG-UHFFFAOYSA-M,,,,,,,,,,,
100.036.922,240-631-0,16571-91-8,N-[1-methyl-2-(1-piperidyl)ethyl]pyridin-2-amine,N-(1-methyl-2-piperidin-1-ylethyl)pyridin-2-amine,CC(CN1CCCCC1)Nc2ccccn2,CC(CN1CCCCC1)Nc2ccccn2,"InChI=1/C13H21N3/c1-12(11-16-9-5-2-6-10-16)15-13-7-3-4-8-14-13/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,14,15)",C13H21N3,,,,,,BWCQXHWVBUZKSP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.923,240-632-6,16574-43-9,"a-(5-bromo-2,3-dihydroxy-4-oxo-2,5-cyclohexadienylidene)-a-(5-bromo-2,3,4-trihydroxyphenyl)toluenesulphonic acid","2',7'-dibromospiro[2,1-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol 1,1-dioxide",Oc4c5Oc1c(O)c(O)c(Br)cc1C3(OS(=O)(=O)c2ccccc23)c5cc(Br)c4O,Oc4c5Oc1c(O)c(O)c(Br)cc1C3(OS(=O)(=O)c2ccccc23)c5cc(Br)c4O,"InChI=1/C19H10Br2O8S/c20-10-5-8-17(15(24)13(10)22)28-18-9(6-11(21)14(23)16(18)25)19(8)7-3-1-2-4-12(7)30(26,27)29-19/h1-6,22-25H",C19H10Br2O8S,,,,,,QFXYYBXMARTXHI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.028,264-951-5,64601-03-2,"Phenol, compound with 2,2'-iminobis[ethanol] (1:1)","2,2'-iminodiethanol - phenol (1:1)",OCCNCCO.Oc1ccccc1,OCCNCCO.Oc1ccccc1,"InChI=1/C6H6O.C4H11NO2/c7-6-4-2-1-3-5-6;6-3-1-5-2-4-7/h1-5,7H;5-7H,1-4H2",C6H6O.C4H11NO2,,,,,,LKLAJENPSUIEBH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.060,267-186-5,67801-65-4,"3,6-dimethylcyclohex-3-ene-1-carbaldehyde","3,6-dimethylcyclohex-3-ene-1-carbaldehyde",CC1CC=C(C)CC1C=O,CC1CC=C(C)CC1C=O,"InChI=1/C9H14O/c1-7-3-4-8(2)9(5-7)6-10/h3,6,8-9H,4-5H2,1-2H3",C9H14O,,,,,,YLGCZMOAYIGIPX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.063,267-189-1,67801-69-8,9-hydroxyoctadecyl docosanoate,9-hydroxyoctadecyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC(O)CCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC(O)CCCCCCCCC,"InChI=1/C40H80O3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-29-33-37-40(42)43-38-34-30-26-25-28-32-36-39(41)35-31-27-23-10-8-6-4-2/h39,41H,3-38H2,1-2H3",C40H80O3,,,,,,IGBQVHZKDCXCLW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.069,267-195-4,67815-67-2,2-amino-4-chloro-5-nitrophenol monohydrochloride,2-amino-4-chloro-5-nitrophenol hydrochloride,Cl.Nc1cc(Cl)c(cc1O)[N+](=O)[O-],Cl.Nc1cc(Cl)c(cc1O)[N+](=O)[O-],"InChI=1/C6H5ClN2O3.ClH/c7-3-1-4(8)6(10)2-5(3)9(11)12;/h1-2,10H,8H2;1H",C6H5ClN2O3.ClH,,,,,,UZYGGKCJOSXNMS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.087,267-216-7,67823-26-1,"3-methyl-4H-isoxazol-5-one, compound with morpholine (1:1)",3-methylisoxazol-5(4H)-one - morpholine (1:1),CC1=NOC(=O)C1.C2COCCN2,CC1=NOC(=O)C1.C2COCCN2,"InChI=1/C4H5NO2.C4H9NO/c1-3-2-4(6)7-5-3;1-3-6-4-2-5-1/h2H2,1H3;5H,1-4H2",C4H9NO.C4H5NO2,,,,,,UNTXTXCRCQLVPT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.092,267-221-4,67827-58-1,"1,1,3,3-tetramethyl-1,3-bis[(1-oxododecyl)oxy]distannoxane","1,3-bis(dodecanoyloxy)-1,1,3,3-tetramethyldistannoxane",CCCCCCCCCCCC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.4CH3.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;;;;;/h2*2-11H2,1H3,(H,13,14);4*1H3;;;/q;;;;;;;2*+1/p-2/rC28H58O5Sn2/c1-7-9-11-13-15-17-19-21-23-25-27(29)31-34(3,4)33-35(5,6)32-28(30)26-24-22-20-18-16-14-12-10-8-2/h7-26H2,1-6H3",C28H58O5Sn2,,,,,,VAWAFWLZHMUXMD-UHFFFAOYSA-L,,,,,,,,,,,
100.060.434,266-498-9,66848-41-7,"2,4-dimethylcyclohex-3-ene-1-carbonitrile","2,4-dimethylcyclohex-3-ene-1-carbonitrile",CC1C=C(C)CCC1C#N,CC1C=C(C)CCC1C#N,"InChI=1/C9H13N/c1-7-3-4-9(6-10)8(2)5-7/h5,8-9H,3-4H2,1-2H3",C9H13N,,,,,,NJHNAANHFUISPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.439,266-503-4,66872-74-0,Sodium DL-3-methyl-2-oxopentanoate,sodium 3-methyl-2-oxopentanoate,[Na+].CCC(C)C(=O)C(=O)[O-],[Na+].CCC(C)C(=O)C(=O)[O-],"InChI=1/C6H10O3.Na/c1-3-4(2)5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1",C6H10O3.Na,,,,,,SMDJDLCNOXJGKC-UHFFFAOYSA-M,,,,,,,,,,,
100.060.442,266-507-6,66879-58-1,"Exo-3,3-dimethylbicyclo[2.2.1]heptane-2-propionic acid","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propanoic acid",CC1(C)C2CCC(C2)C1CCC(=O)O,CC1(C)C2CCC(C2)C1CCC(=O)O,"InChI=1/C12H20O2/c1-12(2)9-4-3-8(7-9)10(12)5-6-11(13)14/h8-10H,3-7H2,1-2H3,(H,13,14)",C12H20O2,,,,,,PECZKENMPPVTAH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.444,266-509-7,66879-99-0,"5ß,6ß-epoxy-3ß-hydroxypregn-16-en-20-one","3-hydroxy-5,6-epoxypregn-16-en-20-one",CC(=O)C1=CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C,CC(=O)C1=CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C,"InChI=1/C21H30O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h4,13-14,16-18,23H,5-11H2,1-3H3",C21H30O3,,,,,,FJOFXGFQXDZWJF-OBQWRBNRSA-N,,,,,,,,,,,
100.060.451,266-517-0,66907-04-8,Ammonium terbium(3+) disulphate,ammonium terbium(3+) disulphate,[NH4+].[Tb+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Tb+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S.Tb/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);/q;;;+3/p-3",H3N.2H2O4S.Tb,,,,,,DJQAPIGRBVZLFL-UHFFFAOYSA-K,,,,,,,,,,,
100.060.452,266-518-6,66907-52-6,"3,4,5-trimethoxy-2-nitrobenzoic acid","3,4,5-trimethoxy-2-nitrobenzoic acid",COc1cc(C(=O)O)c(c(OC)c1OC)[N+](=O)[O-],COc1cc(C(=O)O)c(c(OC)c1OC)[N+](=O)[O-],"InChI=1/C10H11NO7/c1-16-6-4-5(10(12)13)7(11(14)15)9(18-3)8(6)17-2/h4H,1-3H3,(H,12,13)",C10H11NO7,,,,,,VPVAFLFJAAPHKI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.453,266-519-1,66913-97-1,2-(methylsulphonyl)acetamide,2-(methylsulfonyl)acetamide,CS(=O)(=O)CC(=O)N,CS(=O)(=O)CC(=O)N,"InChI=1/C3H7NO3S/c1-8(6,7)2-3(4)5/h2H2,1H3,(H2,4,5)",C3H7NO3S,,,,,,ZBLUAVADFAWYLL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.456,266-522-8,66938-86-1,"(3,4-diaminophenyl) (4-fluorophenyl) ketone","(3,4-diaminophenyl)(4-fluorophenyl)methanone",Nc1ccc(cc1N)C(=O)c2ccc(F)cc2,Nc1ccc(cc1N)C(=O)c2ccc(F)cc2,"InChI=1/C13H11FN2O/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7H,15-16H2",C13H11FN2O,,,,,,KHMJNCNXARCUGR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.457,266-523-3,66943-05-3,"1,4,7,10-tetraoxa-13-azacyclopentadecane","1,4,7,10-tetraoxa-13-azacyclopentadecane",C1COCCOCCOCCOCCN1,C1COCCOCCOCCOCCN1,"InChI=1/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2",C10H21NO4,,,,,,BJUOQSZSDIHZNP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.316,236-662-4,13461-20-6,2-methyl-5-(1-methylethylidene)cyclohexyl acetate,5-isopropylidene-2-methylcyclohexyl acetate,CC1CCC(=C(C)C)CC1OC(=O)C,CC1CCC(=C(C)C)CC1OC(=O)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,12H,5-7H2,1-4H3",C12H20O2,,,,,,FWULGWOARCUKCG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.328,236-676-0,13463-71-3,"3-hydroxy-2,2-dimethylpropyl methacrylate","3-hydroxy-2,2-dimethylpropyl methacrylate",CC(=C)C(=O)OCC(C)(C)CO,CC(=C)C(=O)OCC(C)(C)CO,"InChI=1/C9H16O3/c1-7(2)8(11)12-6-9(3,4)5-10/h10H,1,5-6H2,2-4H3",C9H16O3,,,,,,ONMLAAZEQUPQSE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.329,236-677-6,13463-98-4,Calcium abietate,"calcium diabieta-7,13-dien-18-oate",[Ca+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4,[Ca+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4,"InChI=1/2C20H30O2.Ca/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2",C20H30O2.1/2Ca,,,,,,DWPDSISGRAWLLV-JHZYRPMRSA-L,,,,,,,,,,,
100.033.334,236-682-3,13464-38-5,Trisodium arsenate,trisodium arsenate,[Na+].[Na+].[Na+].[O-][As](=O)([O-])[O-],[Na+].[Na+].[Na+].[O-][As](=O)([O-])[O-],"InChI=1/AsH3O4.3Na/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;3*+1/p-3",AsH3O4.3Na,,,,,,CDBAKLRDFBGJOX-UHFFFAOYSA-K,,,,,,,,,,,
100.033.339,236-688-6,13464-80-7,Dihydrazinium sulphate,bisdiazanium sulfate,N[NH3+].N[NH3+].[O-]S(=O)(=O)[O-],N[NH3+].N[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2H4N2.H2O4S/c2*1-2;1-5(2,3)4/h2*1-2H2;(H2,1,2,3,4)",H4N2.1/2H2O4S,,,,,,DBLJAFVPFHRQSP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.343,236-692-8,13465-09-3,Indium tribromide,indium tribromide,[Br-].[Br-].[Br-].[In+3],[Br-].[Br-].[Br-].[In+3],InChI=1/3BrH.In/h3*1H;/q;;;+3/p-3,Br3In,,,,,,JKNHZOAONLKYQL-UHFFFAOYSA-K,,,,,,,,,,,
100.033.350,236-701-5,13465-60-6,Scandium trinitrate,scandium trinitrate,[Sc+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Sc+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3,HNO3.1/3Sc,,,,,,DFCYEXJMCFQPPA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.708,240-395-9,16318-87-9,4-[(4-amino-m-tolyl)butylamino]butane-1-sulphonic acid,4-[(4-amino-3-methylphenyl)(butyl)amino]butane-1-sulfonic acid,CCCCN(CCCCS(=O)(=O)O)c1ccc(N)c(C)c1,CCCCN(CCCCS(=O)(=O)O)c1ccc(N)c(C)c1,"InChI=1/C15H26N2O3S/c1-3-4-9-17(10-5-6-11-21(18,19)20)14-7-8-15(16)13(2)12-14/h7-8,12H,3-6,9-11,16H2,1-2H3,(H,18,19,20)",C15H26N2O3S,,,,,,QTAOWEXRKVVCES-UHFFFAOYSA-N,,,,,,,,,,,
100.036.713,240-402-5,16325-47-6,Ammonium methacrylate,ammonium methacrylate,[NH4+].CC(=C)C(=O)[O-],[NH4+].CC(=C)C(=O)[O-],"InChI=1/C4H6O2.H3N/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);1H3",C4H6O2.H3N,,,,,,DZGUJOWBVDZNNF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.714,240-403-0,16325-63-6,"2,4,4-trimethylpentan-1-ol","2,4,4-trimethylpentan-1-ol",CC(CO)CC(C)(C)C,CC(CO)CC(C)(C)C,"InChI=1/C8H18O/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3",C8H18O,,,,,,ZNRVRWHPZZOTIE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.716,240-405-1,16331-96-7,"1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]","5'-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]",COc1ccc2N(C)C3(Oc4ccc(cc4C=C3)[N+](=O)[O-])C(C)(C)c2c1,COc1ccc2N(C)C3(Oc4ccc(cc4C=C3)[N+](=O)[O-])C(C)(C)c2c1,"InChI=1/C20H20N2O4/c1-19(2)16-12-15(25-4)6-7-17(16)21(3)20(19)10-9-13-11-14(22(23)24)5-8-18(13)26-20/h5-12H,1-4H3",C20H20N2O4,,,,,,YPVXHRMUYMHMIT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.718,240-407-2,16332-26-6,Trimethyl[2-(1-oxopropoxy)ethyl]ammonium bromide,"N,N,N-trimethyl-2-(propionyloxy)ethanaminium bromide",[Br-].CCC(=O)OCC[N+](C)(C)C,[Br-].CCC(=O)OCC[N+](C)(C)C,"InChI=1/C8H18NO2.BrH/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1",C8H18NO2.Br,,,,,,UTLQQOHOKLDRSX-UHFFFAOYSA-M,,,,,,,,,,,
100.036.720,240-409-3,16339-07-4,1-methyl-4-nitrosopiperazine,1-methyl-4-nitrosopiperazine,CN1CCN(CC1)N=O,CN1CCN(CC1)N=O,"InChI=1/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3",C5H11N3O,,,,,,CEAIOKFZXJMDAS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.724,240-414-0,16354-95-3,"[S(R*,R*)]-1-phenylglycerol","3-phenoxypropane-1,2-diol",OCC(O)COc1ccccc1,OCC(O)COc1ccccc1,"InChI=1/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2",C9H12O3,,,,,,FNQIYTUXOKTMDM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.732,240-422-4,16365-27-8,2-(4-nitrophenoxy)ethanol,2-(4-nitrophenoxy)ethanol,OCCOc1ccc(cc1)[N+](=O)[O-],OCCOc1ccc(cc1)[N+](=O)[O-],"InChI=1/C8H9NO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2",C8H9NO4,,,,,,YAPAEYFBLRVUMH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.733,240-424-5,16368-97-1,Bis(2-ethylhexyl) phenyl phosphate,bis(2-ethylhexyl) phenyl phosphate,CCCCC(CC)COP(=O)(OCC(CC)CCCC)Oc1ccccc1,CCCCC(CC)COP(=O)(OCC(CC)CCCC)Oc1ccccc1,"InChI=1/C22H39O4P/c1-5-9-14-20(7-3)18-24-27(23,26-22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3",C22H39O4P,,,,,,ZXZYMQCBRZBVIC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.734,240-425-0,16369-05-4,(±)-2-amino-3-methylbutan-1-ol,2-amino-3-methylbutan-1-ol,CC(C)C(N)CO,CC(C)C(N)CO,"InChI=1/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3",C5H13NO,,,,,,NWYYWIJOWOLJNR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.422,260-983-9,57844-36-7,Ethyl [2'-(4-methoxybenzoyl)hydrazido]oxalate,ethyl [2-(4-methoxybenzoyl)hydrazino](oxo)acetate,CCOC(=O)C(=O)NNC(=O)c1ccc(OC)cc1,CCOC(=O)C(=O)NNC(=O)c1ccc(OC)cc1,"InChI=1/C12H14N2O5/c1-3-19-12(17)11(16)14-13-10(15)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)",C12H14N2O5,,,,,,HVXZTCHALVFIBD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.427,260-989-1,57849-64-6,"N2-[(1,1-dimethylethoxy)carbonyl]-N6-[[2-(methylsulphonyl)ethoxy]carbonyl]-L-lysine",N~2~-(tert-butoxycarbonyl)-N~6~-{[2-(methylsulfonyl)ethoxy]carbonyl}-L-lysine,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)O,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)O,"InChI=1/C15H28N2O8S/c1-15(2,3)25-14(21)17-11(12(18)19)7-5-6-8-16-13(20)24-9-10-26(4,22)23/h11H,5-10H2,1-4H3,(H,16,20)(H,17,21)(H,18,19)",C15H28N2O8S,,,,,,RLQDBNNHPULZNU-NSHDSACASA-N,,,,,,,,,,,
100.055.430,260-992-8,57856-81-2,Allyl decanoate,allyl decanoate,CCCCCCCCCC(=O)OCC=C,CCCCCCCCCC(=O)OCC=C,"InChI=1/C13H24O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h4H,2-3,5-12H2,1H3",C13H24O2,,,,,,DQVOTEHORLHPRW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.432,260-994-9,57862-95-0,Ammonium mercaptopropionate,ammonium 2-sulfanylpropanoate,[NH4+].CC(S)C(=O)[O-],[NH4+].CC(S)C(=O)[O-],"InChI=1/C3H6O2S.H3N/c1-2(6)3(4)5;/h2,6H,1H3,(H,4,5);1H3",C3H6O2S.H3N,,,,,,VHFSMDHANDABQK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.442,261-005-3,57893-27-3,"[2a,5a(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate","2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-yl acetate",CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C,CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C,"InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3",C15H26O3,,,,,,LTAWGWRPOGXHBD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.448,261-012-1,57910-79-9,2-[(tert-butyl)azo]butan-2-ol,2-(tert-butyldiazenyl)butan-2-ol,CC(O)(CC)N=NC(C)(C)C,CC(O)(CC)N=NC(C)(C)C,"InChI=1/C8H18N2O/c1-6-8(5,11)10-9-7(2,3)4/h11H,6H2,1-5H3",C8H18N2O,,,,,,MNRAEINKZAECEF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.313,263-064-0,61789-51-3,"Naphthenic acids, cobalt salts",cobalt(2+) bis[3-(3-ethylcyclopentyl)propanoate],[Co+2].CCC1CCC(CCC(=O)[O-])C1.CCC2CCC(CCC(=O)[O-])C2,[Co+2].CCC1CCC(CCC(=O)[O-])C1.CCC2CCC(CCC(=O)[O-])C2,"InChI=1/2C10H18O2.Co/c2*1-2-8-3-4-9(7-8)5-6-10(11)12;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5651,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.313,XSWKLHINRKWMTD-UHFFFAOYSA-L,,,,,,,,,,,
100.061.034,267-157-7,67801-37-0,"1,1'-(2-phenylethylidene)bis(1H-indole)","1,1'-(2-phenylethane-1,1-diyl)bis(1H-indole)",C(C(n1ccc2ccccc12)n3ccc4ccccc34)c5ccccc5,C(C(n1ccc2ccccc12)n3ccc4ccccc34)c5ccccc5,"InChI=1/C24H20N2/c1-2-8-19(9-3-1)18-24(25-16-14-20-10-4-6-12-22(20)25)26-17-15-21-11-5-7-13-23(21)26/h1-17,24H,18H2",C24H20N2,,,,,,SJZKQJGANDJRDU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.036,267-159-8,67801-39-2,"4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one","4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one",CC(=O)C=CC1CC(\\C)=C/C(C)C1C,CC(=O)C=CC1CC(\C)=C/C(C)C1C,"InChI=1/C13H20O/c1-9-7-10(2)12(4)13(8-9)6-5-11(3)14/h5-7,10,12-13H,8H2,1-4H3",C13H20O,,,,,,DGFJDZRKSVHFAM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.038,267-161-9,67801-41-6,"4,4,8-trimethyl-5,7-decadien-2-one","4,4,8-trimethyldeca-5,7-dien-2-one",CC(CC)=CC=CC(C)(C)CC(C)=O,CC(CC)=CC=CC(C)(C)CC(C)=O,"InChI=1/C13H22O/c1-6-11(2)8-7-9-13(4,5)10-12(3)14/h7-9H,6,10H2,1-5H3",C13H22O,,,,,,VPZYONTUNFBDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.041,267-165-0,67801-44-9,Methyl 2-(octylideneamino)benzoate,methyl 2-(octylideneamino)benzoate,COC(=O)c1ccccc1N=CCCCCCCC,COC(=O)c1ccccc1N=CCCCCCCC,"InChI=1/C16H23NO2/c1-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16(18)19-2/h8-9,11-13H,3-7,10H2,1-2H3",C16H23NO2,,,,,,YHXKDPQWWGRLRC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.042,267-166-6,67801-45-0,Hept-3-enyl isobutyrate,hept-3-en-1-yl 2-methylpropanoate,CC(C)C(=O)OCCC=CCCC,CC(C)C(=O)OCCC=CCCC,"InChI=1/C11H20O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3",C11H20O2,,,,,,RMOVDPSOWOBAKR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.046,267-170-8,67801-51-8,"Isononanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","7-methyloctanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CC(C)CCCCCC(=O)O.OCCN(CCO)CCO,CC(C)CCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C9H18O2.C6H15NO3/c1-8(2)6-4-3-5-7-9(10)11;8-4-1-7(2-5-9)3-6-10/h8H,3-7H2,1-2H3,(H,10,11);8-10H,1-6H2",C9H18O2.C6H15NO3,,,,,,CRXGWSUBJAEKGY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.047,267-171-3,67801-52-9,"4,6-bis[[4-(phenylamino)phenyl]azo]resorcinol","4,6-bis[(4-anilinophenyl)diazenyl]benzene-1,3-diol",Oc3cc(O)c(cc3N=Nc2ccc(Nc1ccccc1)cc2)N=Nc5ccc(Nc4ccccc4)cc5,Oc3cc(O)c(cc3N=Nc2ccc(Nc1ccccc1)cc2)N=Nc5ccc(Nc4ccccc4)cc5,"InChI=1/C30H24N6O2/c37-29-20-30(38)28(36-34-26-17-13-24(14-18-26)32-22-9-5-2-6-10-22)19-27(29)35-33-25-15-11-23(12-16-25)31-21-7-3-1-4-8-21/h1-20,31-32,37-38H",C30H24N6O2,,,,,,KHRLXDLDLKBFRP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.051,267-176-0,67801-56-3,"Dimethyl 5-methyl[1,1'-biphenyl]-2,4'-dicarboxylate","dimethyl 5-methylbiphenyl-2,4'-dicarboxylate",COC(=O)c1ccc(cc1)c2cc(C)ccc2C(=O)OC,COC(=O)c1ccc(cc1)c2cc(C)ccc2C(=O)OC,"InChI=1/C17H16O4/c1-11-4-9-14(17(19)21-3)15(10-11)12-5-7-13(8-6-12)16(18)20-2/h4-10H,1-3H3",C17H16O4,,,,,,WYSSHTHBSQSSNM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.924,240-633-1,16574-52-0,4-fluoro-4'-(trifluoromethyl)benzophenone,(4-fluorophenyl)[4-(trifluoromethyl)phenyl]methanone,Fc1ccc(cc1)C(=O)c2ccc(cc2)C(F)(F)F,Fc1ccc(cc1)C(=O)c2ccc(cc2)C(F)(F)F,"InChI=1/C14H8F4O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8H",C14H8F4O,,,,,,GYZZOEFAMMXSIK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.925,240-634-7,16576-95-7,Benzyldimethylundecylammonium chloride,"N-benzyl-N,N-dimethylundecan-1-aminium chloride",[Cl-].CCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C20H36N.ClH/c1-4-5-6-7-8-9-10-11-15-18-21(2,3)19-20-16-13-12-14-17-20;/h12-14,16-17H,4-11,15,18-19H2,1-3H3;1H/q+1;/p-1",C20H36N.Cl,,,,,,KDVOJISTAOBJDJ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.929,240-638-9,16580-06-6,Di-tert-butyl diperoxyazelate,di-tert-butyl nonanediperoxoate,CC(C)(C)OOC(=O)CCCCCCCC(=O)OOC(C)(C)C,CC(C)(C)OOC(=O)CCCCCCCC(=O)OOC(C)(C)C,"InChI=1/C17H32O6/c1-16(2,3)22-20-14(18)12-10-8-7-9-11-13-15(19)21-23-17(4,5)6/h7-13H2,1-6H3",C17H32O6,,,,,,VMRTVQZUEDMYNS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.931,240-641-5,16586-43-9,3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]propiononitrile,3-[{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]propanenitrile,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CCC#N)[N+]([O-])=O,"InChI=1/C18H18ClN5O2/c1-3-23(10-4-9-20)14-5-7-17(13(2)11-14)21-22-18-8-6-15(24(25)26)12-16(18)19/h5-8,11-12H,3-4,10H2,1-2H3",C18H18ClN5O2,,,,,,BHOOSPBGGKYHCM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.942,240-653-0,16595-76-9,"(R)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole monohydrochloride","6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride",Cl.C1CN2C[C@H](N=C2S1)c3ccccc3,Cl.C1CN2C[C@H](N=C2S1)c3ccccc3,"InChI=1/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H",C11H12N2S.ClH,,,,,,LAZPBGZRMVRFKY-PPHPATTJSA-N,,,,,,,,,,,
100.036.943,240-654-6,16595-80-5,Levamisole hydrochloride,"6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride",Cl.C1CN2C[C@@H](N=C2S1)c3ccccc3,Cl.C1CN2C[C@@H](N=C2S1)c3ccccc3,"InChI=1/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H",C11H12N2S.ClH,,,,,,LAZPBGZRMVRFKY-HNCPQSOCSA-N,,,,,,,,,,,
100.036.950,240-661-4,16611-96-4,[(m-pentadecylphenoxy)methyl]oxirane,2-[(3-pentadecylphenoxy)methyl]oxirane,CCCCCCCCCCCCCCCc1cccc(OCC2CO2)c1,CCCCCCCCCCCCCCCc1cccc(OCC2CO2)c1,"InChI=1/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)25-20-24-21-26-24/h15,17-19,24H,2-14,16,20-21H2,1H3",C24H40O2,,,,,,FLMRHAZRTLGUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.952,240-664-0,16616-82-3,1-methoxy-2-phenyl-1H-indole,1-methoxy-2-phenyl-1H-indole,COn1c(cc2ccccc12)c3ccccc3,COn1c(cc2ccccc12)c3ccccc3,"InChI=1/C15H13NO/c1-17-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3",C15H13NO,,,,,,ZHQNIQVOVQMVNI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.957,240-669-8,16620-52-3,2-dimethylaminomethyl-5-methoxyindole,"1-(5-methoxy-1H-indol-2-yl)-N,N-dimethylmethanamine",COc1ccc2[nH]c(CN(C)C)cc2c1,COc1ccc2[nH]c(CN(C)C)cc2c1,"InChI=1/C12H16N2O/c1-14(2)8-10-6-9-7-11(15-3)4-5-12(9)13-10/h4-7,13H,8H2,1-3H3",C12H16N2O,,,,,,YSKVDCRGHJSLGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.609,242-486-9,18666-65-4,Triphenoxyvinylsilane,(triphenoxyvinyl)silane,[SiH3]C(=C(Oc1ccccc1)Oc2ccccc2)Oc3ccccc3,[SiH3]C(=C(Oc1ccccc1)Oc2ccccc2)Oc3ccccc3,"InChI=1/C20H18O3Si/c24-20(23-18-14-8-3-9-15-18)19(21-16-10-4-1-5-11-16)22-17-12-6-2-7-13-17/h1-15H,24H3",C20H18O3Si,,,,,,ZPDYTBGDYFEGSG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.612,242-490-0,18669-04-0,3-(1-ethoxyethoxy)propyne,3-(1-ethoxyethoxy)prop-1-yne,CCOC(C)OCC#C,CCOC(C)OCC#C,"InChI=1/C7H12O2/c1-4-6-9-7(3)8-5-2/h1,7H,5-6H2,2-3H3",C7H12O2,,,,,,QKBBTQJLUGADEG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.751,242-643-1,18880-00-7,"1-(bromomethyl)-4-(1,1-dimethylethyl)benzene",1-(bromomethyl)-4-tert-butylbenzene,CC(C)(C)c1ccc(CBr)cc1,CC(C)(C)c1ccc(CBr)cc1,"InChI=1/C11H15Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3",C11H15Br,,,,,,QZNQSIHCDAGZIA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.755,242-647-3,18886-16-3,"Disodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Cl)n4,[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Cl)n4,"InChI=1/C19H12Cl2N6O7S2.2Na/c20-17-23-18(21)25-19(24-17)22-10-5-6-11-9(7-10)8-14(36(32,33)34)15(16(11)28)27-26-12-3-1-2-4-13(12)35(29,30)31;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;/q;2*+1/p-2",C19H12Cl2N6O7S2.2Na,,,,,,OWJBWTPIJLQHBO-UHFFFAOYSA-L,,,,,,,,,,,
100.038.759,242-652-0,18903-01-0,1-cinnamylpiperazine,1-(3-phenylprop-2-en-1-yl)piperazine,C(\\C=C\\c1ccccc1)N2CCNCC2,C(\C=C\c1ccccc1)N2CCNCC2,"InChI=1/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2",C13H18N2,,,,,,WGEIOMTZIIOUMA-QPJJXVBHSA-N,,,,,,,,,,,
100.038.767,242-660-4,18909-68-7,Rubidium tetrafluoroborate(1-),rubidium tetrafluoroborate,[Rb+].F[B-](F)(F)F,[Rb+].F[B-](F)(F)F,"InChI=1/BF4.Rb/c2-1(3,4)5;/q-1;+1",BF4.Rb,,,,,,MERZTPVDEIGCOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.460,266-527-5,66966-09-4,4-methyl-2-oxo-2H-1-benzopyran-7-yl a-L-ido-pyranosiduronic acid,4-methyl-2-oxo-2H-chromen-7-yl alpha-L-idopyranosiduronic acid,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)ccc12,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)ccc12,"InChI=1/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)",C16H16O9,,,,,,ARQXEQLMMNGFDU-ZHMBSYLPSA-N,,,,,,,,,,,
100.060.462,266-529-6,66972-35-8,"(2,3-dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate","(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)methyl nicotinate",O=C(OCC1(C(=O)c2ccccc2C1=O)c3ccccc3)c4cccnc4,O=C(OCC1(C(=O)c2ccccc2C1=O)c3ccccc3)c4cccnc4,"InChI=1/C22H15NO4/c24-19-17-10-4-5-11-18(17)20(25)22(19,16-8-2-1-3-9-16)14-27-21(26)15-7-6-12-23-13-15/h1-13H,14H2",C22H15NO4,,,,,,YNXNJJJLDKPZGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.464,266-531-7,66977-26-2,"6-ethoxy-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene","6-ethoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",CCOC1CC2CC1C3CC=CC23,CCOC1CC2CC1C3CC=CC23,"InChI=1/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3",C12H18O,,,,,,ATTDNHNDBNMYBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.468,266-535-9,66998-67-2,[[(2-chloroethyl)sulphonyl]methyl]benzene,{[(2-chloroethyl)sulfonyl]methyl}benzene,ClCCS(=O)(=O)Cc1ccccc1,ClCCS(=O)(=O)Cc1ccccc1,"InChI=1/C9H11ClO2S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h1-5H,6-8H2",C9H11ClO2S,,,,,,CKNUUVURUUCDGT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.475,266-543-2,67014-91-9,"2-[2-[[5,6-dimethoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5-methoxybenzoxazolium","3-[2-{2-[(3-ethyl-5-methoxy-1,3-benzoxazol-3-ium-2-yl)methylene]butylidene}-5,6-dimethoxy-1,3-benzoselenazol-3(2H)-yl]propane-1-sulfonate",CC[n+]3c4cc(OC)ccc4oc3C=C(CC)C=C2[Se]c1cc(OC)c(cc1N2CCCS([O-])(=O)=O)OC,CC[n+]3c4cc(OC)ccc4oc3C=C(CC)C=C2[Se]c1cc(OC)c(cc1N2CCCS([O-])(=O)=O)OC,"InChI=1/C27H32N2O7SSe/c1-6-18(13-26-28(7-2)20-15-19(33-3)9-10-22(20)36-26)14-27-29(11-8-12-37(30,31)32)21-16-23(34-4)24(35-5)17-25(21)38-27/h9-10,13-17H,6-8,11-12H2,1-5H3",C27H32N2O7SSe,,,,,,BFVRDZWARVFFCO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.476,266-544-8,67018-85-3,"5-[(3,4-dimethoxyphenethyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile","2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-isopropylpentanenitrile",COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,"InChI=1/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3",C26H36N2O4,,,,,,UPKQNCPKPOLASS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.146,262-880-4,61637-60-3,"3,5-dimethoxysalicylic acid","2-hydroxy-3,5-dimethoxybenzoic acid",COc1cc(OC)c(O)c(c1)C(=O)O,COc1cc(OC)c(O)c(c1)C(=O)O,"InChI=1/C9H10O5/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4,10H,1-2H3,(H,11,12)",C9H10O5,,,,,,YDIHHJUFULIFNV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.152,262-887-2,61670-09-5,"Lactic acid, compound with N-benzyl-1-methyl-N-phenylpiperidin-4-amine (1:1)",2-hydroxypropanoic acid - N-benzyl-1-methyl-N-phenylpiperidin-4-amine (1:1),CC(O)C(=O)O.CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3,CC(O)C(=O)O.CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3,"InChI=1/C19H24N2.C3H6O3/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;1-2(4)3(5)6/h2-11,19H,12-16H2,1H3;2,4H,1H3,(H,5,6)",C19H24N2.C3H6O3,,,,,,VUNFQOFEWHEROV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.159,262-895-6,61682-73-3,"2,2-bis[[(1-oxodocosyl)oxy]methyl]propane-1,3-diyl didocosanoate","3-(docosanoyloxy)-2,2-bis[(docosanoyloxy)methyl]propyl docosanoate (non-preferred name)",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C93H180O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(94)98-85-93(86-99-90(95)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-100-91(96)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-101-92(97)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-88H2,1-4H3",C93H180O8,,,,,,SMLXTTLNOGQHHB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.160,262-896-1,61683-86-1,"4-isopropyl-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane","4-isopropyl-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane",COc1ccc(cc1)C2OCC(C)(C)C(O2)C(C)C,COc1ccc(cc1)C2OCC(C)(C)C(O2)C(C)C,"InChI=1/C16H24O3/c1-11(2)14-16(3,4)10-18-15(19-14)12-6-8-13(17-5)9-7-12/h6-9,11,14-15H,10H2,1-5H3",C16H24O3,,,,,,SAPSRDCAWQTFLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.161,262-897-7,61683-99-6,"5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole","5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole",CC1COC(O1)c2ccc3OCOc3c2,CC1COC(O1)c2ccc3OCOc3c2,"InChI=1/C11H12O4/c1-7-5-12-11(15-7)8-2-3-9-10(4-8)14-6-13-9/h2-4,7,11H,5-6H2,1H3",C11H12O4,,,,,,HXNSADTWQWLFCB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.162,262-898-2,61691-97-2,"2,2'-[(1H-benzotriazol-1-ylmethyl)imino]bisethanol","2,2'-[(1H-benzotriazol-1-ylmethyl)imino]diethanol",OCCN(CCO)Cn1nnc2ccccc12,OCCN(CCO)Cn1nnc2ccccc12,"InChI=1/C11H16N4O2/c16-7-5-14(6-8-17)9-15-11-4-2-1-3-10(11)12-13-15/h1-4,16-17H,5-9H2",C11H16N4O2,,,,,,WKZLYSXRFUGBPI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.033,264-956-2,64601-11-2,Lithium methyl adipate,lithium 6-methoxy-6-oxohexanoate,[Li+].COC(=O)CCCCC(=O)[O-],[Li+].COC(=O)CCCCC(=O)[O-],"InChI=1/C7H12O4.Li/c1-11-7(10)5-3-2-4-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1",C7H12O4.Li,,,,,,GZNFPEAFSCABAC-UHFFFAOYSA-M,,,,,,,,,,,
100.036.738,240-429-2,16376-36-6,"(S)-1,2-O-(2,2,2-trichloroethylidene)-a-D-glucofuranose","1,2-O-(2,2,2-trichloroethylidene)-alpha-D-glucofuranose",ClC(Cl)(Cl)[C@H]1O[C@@H]2[C@@H](O)[C@H](O[C@@H]2O1)[C@H](O)CO,ClC(Cl)(Cl)[C@H]1O[C@@H]2[C@@H](O)[C@H](O[C@@H]2O1)[C@H](O)CO,"InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2",C8H11Cl3O6,,,,,,OJYGBLRPYBAHRT-GVUNPQSCSA-N,,,,,,,,,,,
100.036.742,240-433-4,16383-97-4,"5H-thioxantheno[2,1,9-def][1,2,4]triazolo[5,1-a]isoquinolin-5-one","5H-benzo[3,4]isothiochromeno[7,8,1-def][1,2,4]triazolo[1,5-b]isoquinolin-5-one",O=C1c2ccc3Sc4ccccc4c5ccc(c6ncnn16)c2c35,O=C1c2ccc3Sc4ccccc4c5ccc(c6ncnn16)c2c35,InChI=1/C19H9N3OS/c23-19-13-7-8-15-17-11(10-3-1-2-4-14(10)24-15)5-6-12(16(13)17)18-20-9-21-22(18)19/h1-9H,C19H9N3OS,,,,,,CAIKUTQDZQNKFP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.743,240-435-5,16386-21-3,"Disodium 4,4'-[(4,6-diamino-1,3-phenylene)bis(azo)]bis[benzenesulphonate]","disodium 4,4'-[(4,6-diamino-1,3-phenylene)didiazene-2,1-diyl]dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)cc3N,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)cc3N,"InChI=1/C18H16N6O6S2.2Na/c19-15-9-16(20)18(24-22-12-3-7-14(8-4-12)32(28,29)30)10-17(15)23-21-11-1-5-13(6-2-11)31(25,26)27;;/h1-10H,19-20H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C18H16N6O6S2.2Na,,,,,,DMWRQJGVKMKHJS-UHFFFAOYSA-L,,,,,,,,,,,
100.037.375,241-128-9,17068-85-8,Hydrogen hexafluoroarsenate,hexafluoroarsenate(1-),F[As-](F)(F)(F)(F)F,F[As-](F)(F)(F)(F)F,"InChI=1/AsF6/c2-1(3,4,5,6)7/q-1",AsF6.H,,,,,,ZENAVJHBLNXNHN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.329,239-978-0,15853-77-7,"(Z,Z)-dibutylbis[(3-propoxycarbonylacryloyl)oxy]stannane","propyl 10,10-dibutyl-5,8,12-trioxo-4,9,11-trioxa-10-stannapentadeca-6,13-dien-15-oate",CCCC[Sn](CCCC)(OC(=O)\\C=C/C(=O)OCCC)OC(=O)\\C=C/C(=O)OCCC,CCCC[Sn](CCCC)(OC(=O)\C=C/C(=O)OCCC)OC(=O)\C=C/C(=O)OCCC,"InChI=1/2C7H10O4.2C4H9.Sn/c2*1-2-5-11-7(10)4-3-6(8)9;2*1-3-4-2;/h2*3-4H,2,5H2,1H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H36O8Sn/c1-5-9-17-31(18-10-6-2,29-21(25)13-11-19(23)27-15-7-3)30-22(26)14-12-20(24)28-16-8-4/h11-14H,5-10,15-18H2,1-4H3",C22H36O8Sn,,,,,,KCEFGNYUOUUPFP-VGKOASNMSA-L,,,,,,,,,,,
100.036.330,239-979-6,15857-68-8,"2,3-dihydro-4H-1-benzothiopyran-4-one oxime","2,3-dihydro-4H-thiochromen-4-one oxime",ON=C2CCSc1ccccc12,ON=C2CCSc1ccccc12,"InChI=1/C9H9NOS/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2",C9H9NOS,,,,,,RARVWGVWROHFMP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.336,239-985-9,15860-96-5,"4-nonyl-2,6-bis(1-phenylethyl)phenol","4-nonyl-2,6-bis(1-phenylethyl)phenol",CCCCCCCCCc1cc(C(C)c2ccccc2)c(O)c(c1)C(C)c3ccccc3,CCCCCCCCCc1cc(C(C)c2ccccc2)c(O)c(c1)C(C)c3ccccc3,"InChI=1/C31H40O/c1-4-5-6-7-8-9-12-17-26-22-29(24(2)27-18-13-10-14-19-27)31(32)30(23-26)25(3)28-20-15-11-16-21-28/h10-11,13-16,18-25,32H,4-9,12,17H2,1-3H3",C31H40O,,,,,,WOSYWGAMXWGRBI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.341,239-991-1,15862-86-9,2-carboxypiperidinium chloride,2-carboxypiperidinium chloride,[Cl-].OC(=O)C1CCCC[NH2+]1,[Cl-].OC(=O)C1CCCC[NH2+]1,"InChI=1/C6H11NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);1H",C6H11NO2.ClH,,,,,,AUGDEGXARBUSFU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.344,239-994-8,15871-78-0,[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl nicotinate,[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl nicotinate,Cc1ncc(COC(=O)c2cccnc2)c(CO)c1O,Cc1ncc(COC(=O)c2cccnc2)c(CO)c1O,"InChI=1/C14H14N2O4/c1-9-13(18)12(7-17)11(6-16-9)8-20-14(19)10-3-2-4-15-5-10/h2-6,17-18H,7-8H2,1H3",C14H14N2O4,,,,,,LOZUXFQXMUUIGR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.351,240-003-6,15874-52-9,"Antimony tris[O,O-bis(2-ethylhexyl)] tris(dithiophosphate)","10-({bis[(2-ethylhexyl)oxy]phosphorothioyl}sulfanyl)-5,15-diethyl-8,12-bis[(2-ethylhexyl)oxy]-7,13-dioxa-9,11-dithia-8lambda~5~,12-diphospha-10-stibanonadecane 8,12-disulfide",CCCCC(CC)COP(=S)(OCC(CC)CCCC)S[Sb](SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC,CCCCC(CC)COP(=S)(OCC(CC)CCCC)S[Sb](SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1/3C16H35O2PS2.Sb/c3*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,20,21);/q;;;+3/p-3/rC48H102O6P3S6Sb/c1-13-25-31-43(19-7)37-49-55(58,50-38-44(20-8)32-26-14-2)61-64(62-56(59,51-39-45(21-9)33-27-15-3)52-40-46(22-10)34-28-16-4)63-57(60,53-41-47(23-11)35-29-17-5)54-42-48(24-12)36-30-18-6/h43-48H,13-42H2,1-12H3",C16H35O2PS2.1/3Sb,,,,,,HWFCBJDGOMEJGH-UHFFFAOYSA-K,,,,,,,,,,,
100.036.363,240-016-7,15879-93-3,Chloralose,"1,2-O-(2,2,2-trichloroethylidene)-alpha-D-glucofuranose",ClC(Cl)(Cl)[C@@H]1O[C@@H]2[C@@H](O)[C@H](O[C@@H]2O1)[C@H](O)CO,ClC(Cl)(Cl)[C@@H]1O[C@@H]2[C@@H](O)[C@H](O[C@@H]2O1)[C@H](O)CO,"InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2",C8H11Cl3O6,,,,,,OJYGBLRPYBAHRT-IPQSZEQASA-N,,,,,,,,,,,
100.054.422,259-883-8,55901-20-7,"5-oxo-DL-proline, compound with 2,2',2''-nitrilotriethanol (1:1)","5-oxo-L-proline - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)[C@@H]1CCC(=O)N1,OCCN(CCO)CCO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H15NO3.C5H7NO3/c8-4-1-7(2-5-9)3-6-10;7-4-2-1-3(6-4)5(8)9/h8-10H,1-6H2;3H,1-2H2,(H,6,7)(H,8,9)",C6H15NO3.C5H7NO3,,,,,,WHDZFABLYCTYDP-HVDRVSQOSA-N,,,,,,,,,,,
100.054.425,259-886-4,55906-42-8,"Disodium 1,3,4-thiadiazole-2,5-dithiolate","disodium 1,3,4-thiadiazole-2,5-bis(thiolate)",[Na+].[Na+].[S-]c1nnc([S-])s1,[Na+].[Na+].[S-]c1nnc([S-])s1,"InChI=1/C2H2N2S3.2Na/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;/q;2*+1/p-2",C2H2N2S3.2Na,,,,,,YCVGBTRTVKMLSH-UHFFFAOYSA-L,,,,,,,,,,,
100.061.056,267-181-8,67801-61-0,Dimethyl[3-(oleoylamino)propyl]ammonium propionate,"N,N-dimethyl-3-(oleoylamino)propan-1-aminium propionate",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCC[NH+](C)C.CCC(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[NH+](C)C.CCC(=O)[O-],"InChI=1/C23H46N2O.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2-3(4)5/h11-12H,4-10,13-22H2,1-3H3,(H,24,26);2H2,1H3,(H,4,5)",C23H46N2O.C3H6O2,,,,,,HONKGNKLCZDPJO-AFEZEDKISA-N,,,,,,,,,,,
100.060.389,266-449-1,66693-25-2,Bis[2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium] sulphate,"bis[2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium] sulfate",[O-]S([O-])(=O)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]S([O-])(=O)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/2C19H23N4O2S.H2O4S/c2*1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5(2,3)4/h2*5-10,13,24H,4,11-12H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C19H23N4O2S.1/2O4S,,,,,,KCNIDFGVWKPDPF-UHFFFAOYSA-L,,,,,,,,,,,
100.060.391,266-451-2,66693-27-4,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[[2-(2-cyanoethoxy)ethyl]amino]-4-methoxyphenyl]propionamide","N-(2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-{[2-(2-cyanoethoxy)ethyl]amino}-4-methoxyphenyl)propanamide",Clc2cc(cc(c2N=Nc1cc(OC)c(NCCOCCC#N)cc1NC(=O)CC)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(NCCOCCC#N)cc1NC(=O)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H22ClN7O7/c1-3-20(30)25-15-11-17(24-6-8-36-7-4-5-23)19(35-2)12-16(15)26-27-21-14(22)9-13(28(31)32)10-18(21)29(33)34/h9-12,24H,3-4,6-8H2,1-2H3,(H,25,30)",C21H22ClN7O7,,,,,,BTZJHLSNGVJBBH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.394,266-454-9,66702-19-0,1-(hydroxymethyl)-5-oxo-DL-proline,1-(hydroxymethyl)-5-oxo-L-proline,OCN1[C@@H](CCC1=O)C(=O)O,OCN1[C@@H](CCC1=O)C(=O)O,"InChI=1/C6H9NO4/c8-3-7-4(6(10)11)1-2-5(7)9/h4,8H,1-3H2,(H,10,11)",C6H9NO4,,,,,,ADXZNWSXVJABKX-BYPYZUCNSA-N,,,,,,,,,,,
100.060.401,266-462-2,66725-62-0,"2,3-dihydroxypropyl 2-ethylhexanoate","2,3-dihydroxypropyl 2-ethylhexanoate",CCCCC(CC)C(=O)OCC(O)CO,CCCCC(CC)C(=O)OCC(O)CO,"InChI=1/C11H22O4/c1-3-5-6-9(4-2)11(14)15-8-10(13)7-12/h9-10,12-13H,3-8H2,1-2H3",C11H22O4,,,,,,JPWUIQIFCDAWQX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.402,266-463-8,66728-50-5,2-(2-methoxyethoxy)-2-methylpropane,2-(2-methoxyethoxy)-2-methylpropane,COCCOC(C)(C)C,COCCOC(C)(C)C,"InChI=1/C7H16O2/c1-7(2,3)9-6-5-8-4/h5-6H2,1-4H3",C7H16O2,,,,,,FQQBAHSCHMASLR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.416,266-479-5,66791-46-6,"Estra-1,3,5(10)-triene-3,17ß-diol 17-(cyclooctaneacetate)","3-hydroxyestra-1,3,5(10)-trien-17-yl cyclooctylacetate",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CC5CCCCCCC5,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CC5CCCCCCC5,"InChI=1/C28H40O3/c1-28-16-15-23-22-12-10-21(29)18-20(22)9-11-24(23)25(28)13-14-26(28)31-27(30)17-19-7-5-3-2-4-6-8-19/h10,12,18-19,23-26,29H,2-9,11,13-17H2,1H3",C28H40O3,,,,,,CZCGBAHDFURTGU-VMBLQBCYSA-N,,,,,,,,,,,
100.060.420,266-483-7,66799-97-1,2-ethoxy-3-methoxybenzaldehyde,2-ethoxy-3-methoxybenzaldehyde,CCOc1c(OC)cccc1C=O,CCOc1c(OC)cccc1C=O,"InChI=1/C10H12O3/c1-3-13-10-8(7-11)5-4-6-9(10)12-2/h4-7H,3H2,1-2H3",C10H12O3,,,,,,DMPUNCUVRGJYGL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.428,266-492-6,66841-24-5,"a-cyano-3-phenoxybenzyl [1R-[1a(R*),3ß]]-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","cyano(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2,"InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",C22H19Cl2NO3,,,,,,KAATUXNTWXVJKI-HBFSDRIKSA-N,,,,,,,,,,,
100.060.429,266-493-1,66841-25-6,"a-cyano-3-phenoxybenzyl 2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylate","cyano(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylate",CC1(C)C(C(Br)C(Br)(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,CC1(C)C(C(Br)C(Br)(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,"InChI=1/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3",C22H19Br4NO3,,,,,,YWSCPYYRJXKUDB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.449,261-013-7,57912-35-3,"N,S-dibenzyloxycarbonyl-L-cysteine","N,S-bis[(benzyloxy)carbonyl]-D-cysteine",OC(=O)[C@H](CSC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)[C@H](CSC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C19H19NO6S/c21-17(22)16(20-18(23)25-11-14-7-3-1-4-8-14)13-27-19(24)26-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,23)(H,21,22)",C19H19NO6S,,,,,,PXKPRICKEUGRRR-INIZCTEOSA-N,,,,,,,,,,,
100.055.450,261-014-2,57913-35-6,Bis(p-isopropylphenyl) sulphone,"1,1'-sulfonylbis(4-isopropylbenzene)",CC(C)c1ccc(cc1)S(=O)(=O)c2ccc(cc2)C(C)C,CC(C)c1ccc(cc1)S(=O)(=O)c2ccc(cc2)C(C)C,"InChI=1/C18H22O2S/c1-13(2)15-5-9-17(10-6-15)21(19,20)18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3",C18H22O2S,,,,,,PKQWGBLKCJIMDP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.460,261-025-2,57938-78-0,Ethyl N-[(2-hydroxyphenyl)methyl]glycinate,ethyl N-(2-hydroxybenzyl)glycinate,CCOC(=O)CNCc1ccccc1O,CCOC(=O)CNCc1ccccc1O,"InChI=1/C11H15NO3/c1-2-15-11(14)8-12-7-9-5-3-4-6-10(9)13/h3-6,12-13H,2,7-8H2,1H3",C11H15NO3,,,,,,GOHVFLROCZFZMF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.768,242-662-5,18910-65-1,Salmefamol,4-(1-hydroxy-2-{[2-(4-methoxyphenyl)-1-methylethyl]amino}ethyl)-2-(hydroxymethyl)phenol,COc1ccc(CC(C)NCC(O)c2ccc(O)c(CO)c2)cc1,COc1ccc(CC(C)NCC(O)c2ccc(O)c(CO)c2)cc1,"InChI=1/C19H25NO4/c1-13(9-14-3-6-17(24-2)7-4-14)20-11-19(23)15-5-8-18(22)16(10-15)12-21/h3-8,10,13,19-23H,9,11-12H2,1-2H3",C19H25NO4,,,,,,VPMWDFRZSIMDKW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.770,242-664-6,18912-37-3,p-methoxybenzyl carbazate,4-methoxybenzyl hydrazinecarboxylate,COc1ccc(COC(=O)NN)cc1,COc1ccc(COC(=O)NN)cc1,"InChI=1/C9H12N2O3/c1-13-8-4-2-7(3-5-8)6-14-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)",C9H12N2O3,,,,,,JKBMMHKEAGEILO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.862,237-264-3,13710-19-5,Tolfenamic acid,2-[(3-chloro-2-methylphenyl)amino]benzoic acid,Cc1c(Cl)cccc1Nc2ccccc2C(=O)O,Cc1c(Cl)cccc1Nc2ccccc2C(=O)O,"InChI=1/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)",C14H12ClNO2,,,,,,YEZNLOUZAIOMLT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.867,237-270-6,13717-04-9,N-(1-methyl-2-piperidinoethyl)-N-(2-pyridyl)propionamide fumarate,N-(1-methyl-2-piperidin-1-ylethyl)-N-pyridin-2-ylpropanamide but-2-enedioate,CCC(=O)N(C(C)CN1CCCCC1)c2ccccn2.OC(=O)\\C=C\\C(=O)O,CCC(=O)N(C(C)CN1CCCCC1)c2ccccn2.OC(=O)\C=C\C(=O)O,"InChI=1/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C16H25N3O.C4H4O4,,,,,,WQTLOZFMTGYQDX-WLHGVMLRSA-N,,,,,,,,,,,
100.033.873,237-276-9,13718-50-8,Barium iodide,barium diiodide,[I-].[I-].[Ba+2],[I-].[I-].[Ba+2],InChI=1/Ba.2HI/h;2*1H/q+2;;/p-2,BaI2,,,,,,SGUXGJPBTNFBAD-UHFFFAOYSA-L,,,,,,,,,,,
100.035.378,238-932-7,14861-17-7,"4-(2,4-dichlorophenoxy)aniline","4-(2,4-dichlorophenoxy)aniline",Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1,Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1,"InChI=1/C12H9Cl2NO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H,15H2",C12H9Cl2NO,,,,,,RWDOREOERSVIRK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.384,238-939-5,14866-43-4,Hexadecyltriphenylphosphonium bromide,hexadecyl(triphenyl)phosphonium bromide,[Br-].CCCCCCCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCCCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C34H48P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34;/h15-23,25-30H,2-14,24,31H2,1H3;1H/q+1;/p-1",C34H48P.Br,,,,,,UXMZNEHSMYESLH-UHFFFAOYSA-M,,,,,,,,,,,
100.035.397,238-953-1,14882-18-9,Bismuth oxide salicylate,"2-hydroxy-4H-1,3,2-benzodioxabismin-4-one",O[Bi]1OC(=O)c2ccccc2O1,O[Bi]1OC(=O)c2ccccc2O1,"InChI=1/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3/rC7H5BiO4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4,10H",C7H5BiO4,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/11478,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.397,ZREIPSZUJIFJNP-UHFFFAOYSA-K,,,,,,,,,,,
100.035.404,238-961-5,14887-42-4,Potassium pentahydrogen bis(phosphate),potassium pentahydrogen bis(phosphate),[K+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[K+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/K.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+1;;/p-6",H3O4P.1/2K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2187,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.404,SDRZXZKXVBHREH-UHFFFAOYSA-H,,,,,,,,,,,
100.035.405,238-962-0,14888-09-6,"Ammonium (1S)-[7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonate","ammonium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",[NH4+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2,[NH4+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2,"InChI=1/C10H16O4S.H3N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);1H3",C10H16O4S.H3N,,,,,,JTMZBRWRXFAITF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.710,234-895-6,12039-52-0,Thallium selenide,dithallium(1+) selenite,[Tl+].[Tl+].[O-][Se](=O)[O-],[Tl+].[Tl+].[O-][Se](=O)[O-],"InChI=1/H2O3Se.2Tl/c1-4(2)3;;/h(H2,1,2,3);;/q;2*+1/p-2",SeTl,,,,,,MPMWDEQGDVBQOZ-UHFFFAOYSA-L,,,,,,,,,,,
100.036.963,240-676-6,16625-72-2,"5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-1,2,9,10-tetrol hydrochloride","6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,2,9,10-tetrol hydrochloride",Cl.CN1CCc2cc(O)c(O)c3c2C1Cc4cc(O)c(O)cc34,Cl.CN1CCc2cc(O)c(O)c3c2C1Cc4cc(O)c(O)cc34,"InChI=1/C17H17NO4.ClH/c1-18-3-2-8-5-14(21)17(22)16-10-7-13(20)12(19)6-9(10)4-11(18)15(8)16;/h5-7,11,19-22H,2-4H2,1H3;1H",C17H17NO4.ClH,,,,,,NPTDTRLQCQWREE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.964,240-677-1,16629-19-9,Thiophene-2-sulphonyl chloride,thiophene-2-sulfonyl chloride,ClS(=O)(=O)c1cccs1,ClS(=O)(=O)c1cccs1,"InChI=1/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H",C4H3ClO2S2,,,,,,VNNLHYZDXIBHKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.965,240-678-7,16630-52-7,3-(methylthio)butyraldehyde,3-(methylsulfanyl)butanal,CSC(C)CC=O,CSC(C)CC=O,"InChI=1/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3",C5H10OS,,,,,,NCBDFIPMWRKPDU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.973,240-687-6,16631-25-7,Methyl 2-bromotetradecanoate,methyl 2-bromotetradecanoate,CCCCCCCCCCCCC(Br)C(=O)OC,CCCCCCCCCCCCC(Br)C(=O)OC,"InChI=1/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3",C15H29BrO2,,,,,,NTDPLPAGWMERRU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.974,240-688-1,16632-21-6,6-methyl-5-nitrouracil,"6-methyl-5-nitropyrimidine-2,4(1H,3H)-dione",CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],"InChI=1/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)",C5H5N3O4,,,,,,LIVYMRJSNFHYEN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.037,264-960-4,64601-15-6,"Decanoic acid, compound with 2-(isopropylamino)ethanol (1:1)",decanoic acid - 2-(isopropylamino)ethanol (1:1),CCCCCCCCCC(=O)O.CC(C)NCCO,CCCCCCCCCC(=O)O.CC(C)NCCO,"InChI=1/C10H20O2.C5H13NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-5(2)6-3-4-7/h2-9H2,1H3,(H,11,12);5-7H,3-4H2,1-2H3",C10H20O2.C5H13NO,,,,,,MQJFOCCWCPIOEV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.045,264-969-3,64611-87-6,N-[3-[(2-cyanoethyl)allylamino]-4-methoxyphenyl]acetamide,N-{3-[allyl(2-cyanoethyl)amino]-4-methoxyphenyl}acetamide,COc1ccc(NC(=O)C)cc1N(CCC#N)CC=C,COc1ccc(NC(=O)C)cc1N(CCC#N)CC=C,"InChI=1/C15H19N3O2/c1-4-9-18(10-5-8-16)14-11-13(17-12(2)19)6-7-15(14)20-3/h4,6-7,11H,1,5,9-10H2,2-3H3,(H,17,19)",C15H19N3O2,,,,,,KMMWJCUYQJFHNH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.052,264-977-7,64617-11-4,3-ethyl-5-[(1-ethyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one,"3-ethyl-5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-2-thioxo-1,3-oxazolidin-4-one",O=C2C(=CC=C1CCCN1CC)OC(=S)N2CC,O=C2C(=CC=C1CCCN1CC)OC(=S)N2CC,"InChI=1/C13H18N2O2S/c1-3-14-9-5-6-10(14)7-8-11-12(16)15(4-2)13(18)17-11/h7-8H,3-6,9H2,1-2H3",C13H18N2O2S,,,,,,DECLZXRSXROLLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.054,264-979-8,64622-45-3,2-pyridylmethyl 2-(4-isobutylphenyl)propionate,pyridin-2-ylmethyl 2-(4-isobutylphenyl)propanoate,CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2,CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2,"InChI=1/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3",C19H23NO2,,,,,,ACEWLPOYLGNNHV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.056,264-981-9,64633-23-4,"2,2'-thiobis[4-chloro-6-isopropyl-m-cresol]","2,2'-sulfanediylbis(4-chloro-6-isopropyl-3-methylphenol)",CC(C)c1cc(Cl)c(C)c(Sc2c(C)c(Cl)cc(C(C)C)c2O)c1O,CC(C)c1cc(Cl)c(C)c(Sc2c(C)c(Cl)cc(C(C)C)c2O)c1O,"InChI=1/C20H24Cl2O2S/c1-9(2)13-7-15(21)11(5)19(17(13)23)25-20-12(6)16(22)8-14(10(3)4)18(20)24/h7-10,23-24H,1-6H3",C20H24Cl2O2S,,,,,,AALDANJLYWODLY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.062,264-988-7,64643-72-7,"(5a)-17-(cyclobutylcarbonyl)-4,5-epoxy-14-hydroxy-3-methoxymorphinan-6-one","17-(cyclobutylcarbonyl)-14-hydroxy-3-methoxy-4,5-epoxymorphinan-6-one",COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)C(=O)C6CCC6,COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)C(=O)C6CCC6,"InChI=1/C22H25NO5/c1-27-15-6-5-13-11-16-22(26)8-7-14(24)19-21(22,17(13)18(15)28-19)9-10-23(16)20(25)12-3-2-4-12/h5-6,12,16,19,26H,2-4,7-11H2,1H3",C22H25NO5,,,,,,PLLQBYVVSBKDTO-JJJJLYANSA-N,,,,,,,,,,,
100.059.066,264-992-9,64644-36-6,"Octahydro-4,7-methano-1H-indene-2-methanol","octahydro-1H-4,7-methanoinden-2-ylmethanol",OCC1CC2C3CCC(C3)C2C1,OCC1CC2C3CCC(C3)C2C1,"InChI=1/C11H18O/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h7-12H,1-6H2",C11H18O,,,,,,NJKIJYKRBHGRME-UHFFFAOYSA-N,,,,,,,,,,,
100.059.067,264-993-4,64651-39-4,4-[2-(1H-indol-3-yl)vinyl]-1-methylpyridinium chloride,4-[2-(1H-indol-3-yl)vinyl]-1-methylpyridinium chloride,[Cl-].C[n+]1ccc(\\C=C\\c2c[nH]c3ccccc23)cc1,[Cl-].C[n+]1ccc(\C=C\c2c[nH]c3ccccc23)cc1,"InChI=1/C16H14N2.ClH/c1-18-10-8-13(9-11-18)6-7-14-12-17-16-5-3-2-4-15(14)16;/h2-12H,1H3;1H",C16H15N2.Cl,,,,,,CZWNQQJOJRLUSS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.070,264-997-6,64654-00-8,Bis[2-[bis(2-hydroxyethyl)amino]ethyl] icosenylsuccinate,bis{2-[bis(2-hydroxyethyl)amino]ethyl} 2-icos-1-en-1-ylsuccinate,O=C(OCCN(CCO)CCO)C(CC(=O)OCCN(CCO)CCO)C=CCCCCCCCCCCCCCCCCCC,O=C(OCCN(CCO)CCO)C(CC(=O)OCCN(CCO)CCO)C=CCCCCCCCCCCCCCCCCCC,"InChI=1/C36H70N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(36(44)46-32-26-38(23-29-41)24-30-42)33-35(43)45-31-25-37(21-27-39)22-28-40/h19-20,34,39-42H,2-18,21-33H2,1H3",C36H70N2O8,,,,,,USRSIXHVNBRIKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.071,264-998-1,64654-02-0,Bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-docosenylsuccinate,bis{2-[bis(2-hydroxyethyl)amino]ethyl} 2-docos-2-en-1-ylsuccinate,O=C(OCCN(CCO)CCO)C(CC(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCCCCCC,O=C(OCCN(CCO)CCO)C(CC(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCCCCCC,"InChI=1/C38H74N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36(38(46)48-34-28-40(25-31-43)26-32-44)35-37(45)47-33-27-39(23-29-41)24-30-42/h20-21,36,41-44H,2-19,22-35H2,1H3",C38H74N2O8,,,,,,GQGFMBDBKPWSDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.103,267-234-5,67827-72-9,2-methoxy-5-nitroanilinium chloride,2-methoxy-5-nitroanilinium chloride,[Cl-].COc1ccc(cc1[NH3+])[N+](=O)[O-],[Cl-].COc1ccc(cc1[NH3+])[N+](=O)[O-],"InChI=1/C7H8N2O3.ClH/c1-12-7-3-2-5(9(10)11)4-6(7)8;/h2-4H,8H2,1H3;1H",C7H8N2O3.ClH,,,,,,JBBNYKPRONOPHN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.106,267-237-1,67827-90-1,Sodium glycerol 2-sulphonatododecanoate,sodium 1-[2-hydroxy-1-(hydroxymethyl)ethoxy]-1-oxododecane-2-sulfonate,[Na+].CCCCCCCCCCC(C(=O)OC(CO)CO)S(=O)(=O)[O-],[Na+].CCCCCCCCCCC(C(=O)OC(CO)CO)S(=O)(=O)[O-],"InChI=1/C15H30O7S.Na/c1-2-3-4-5-6-7-8-9-10-14(23(19,20)21)15(18)22-13(11-16)12-17;/h13-14,16-17H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1",C15H30O7S.Na,,,,,,BOJBBQCYKGRZPD-UHFFFAOYSA-M,,,,,,,,,,,
100.061.109,267-240-8,67828-19-7,4-(4-methoxyphenyl)-3-methylbutan-2-one,4-(4-methoxyphenyl)-3-methylbutan-2-one,COc1ccc(CC(C)C(=O)C)cc1,COc1ccc(CC(C)C(=O)C)cc1,"InChI=1/C12H16O2/c1-9(10(2)13)8-11-4-6-12(14-3)7-5-11/h4-7,9H,8H2,1-3H3",C12H16O2,,,,,,NWOQMCFVOCINBU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.431,259-893-2,55910-12-8,N-[3-(dimethylamino)propyl]-3-[[3-(dimethylamino)propyl]amino]-2-methylpropionamide,N-[3-(dimethylamino)propyl]-3-{[3-(dimethylamino)propyl]amino}-2-methylpropanamide,CC(CNCCCN(C)C)C(=O)NCCCN(C)C,CC(CNCCCN(C)C)C(=O)NCCCN(C)C,"InChI=1/C14H32N4O/c1-13(12-15-8-6-10-17(2)3)14(19)16-9-7-11-18(4)5/h13,15H,6-12H2,1-5H3,(H,16,19)",C14H32N4O,,,,,,MGTPQUHIJZMPRF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.433,259-895-3,55911-29-0,"2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-5-(methylsulphonyl)-1H-benzimidazolium methyl sulphate","2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-(methylsulfonyl)-2,3-dihydro-1H-3,1-benzimidazol-1-ium methyl sulfate",COc1ccc2cc(oc2c1)C3N(C)c4cc(ccc4[NH+]3C)S(=O)(=O)C.COS(=O)(=O)[O-],COc1ccc2cc(oc2c1)C3N(C)c4cc(ccc4[NH+]3C)S(=O)(=O)C.COS(=O)(=O)[O-],"InChI=1/C19H20N2O4S.CH4O4S/c1-20-15-8-7-14(26(4,22)23)11-16(15)21(2)19(20)18-9-12-5-6-13(24-3)10-17(12)25-18;1-5-6(2,3)4/h5-11,19H,1-4H3;1H3,(H,2,3,4)",C19H19N2O4S.CH3O4S,,,,,,NIEVDBCSDMFGRV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.436,259-899-5,55912-18-0,"2-[(1,1-dimethylethyl)azo]-2,4-dimethylvaleronitrile","2-(tert-butyldiazenyl)-2,4-dimethylpentanenitrile",CC(CC(C)C)(N=NC(C)(C)C)C#N,CC(CC(C)C)(N=NC(C)(C)C)C#N,"InChI=1/C11H21N3/c1-9(2)7-11(6,8-12)14-13-10(3,4)5/h9H,7H2,1-6H3",C11H21N3,,,,,,HSMAVZYQDXUJLK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.440,259-904-0,55917-86-7,"Tris(salicylato-O1,O2)chromium",chromium(3+) tris(2-hydroxybenzoate),Oc1ccccc1C(=O)O[Cr](OC(=O)c2ccccc2O)OC(=O)c3ccccc3O,Oc1ccccc1C(=O)O[Cr](OC(=O)c2ccccc2O)OC(=O)c3ccccc3O,"InChI=1/3C7H6O3.Cr/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);/q;;;+3/p-3/rC21H15CrO9/c23-16-10-4-1-7-13(16)19(26)29-22(30-20(27)14-8-2-5-11-17(14)24)31-21(28)15-9-3-6-12-18(15)25/h1-12,23-25H",C21H15CrO9,,,,,,XGRZWVWRMKAQNU-UHFFFAOYSA-K,,,,,,,,,,,
100.054.441,259-905-6,55919-37-4,2-(ethylsulphonyl)benzothiazol-6-amine,"2-(ethylsulfonyl)-1,3-benzothiazol-6-amine",CCS(=O)(=O)c1nc2ccc(N)cc2s1,CCS(=O)(=O)c1nc2ccc(N)cc2s1,"InChI=1/C9H10N2O2S2/c1-2-15(12,13)9-11-7-4-3-6(10)5-8(7)14-9/h3-5H,2,10H2,1H3",C9H10N2O2S2,,,,,,RLCODDFEMWRRJK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.442,259-906-1,55919-77-2,"3-hydroxy-2,2-bis(hydroxymethyl)propyl acrylate","3-hydroxy-2,2-bis(hydroxymethyl)propyl acrylate",OCC(CO)(CO)COC(=O)C=C,OCC(CO)(CO)COC(=O)C=C,"InChI=1/C8H14O5/c1-2-7(12)13-6-8(3-9,4-10)5-11/h2,9-11H,1,3-6H2",C8H14O5,,,,,,ZCZFEIZSYJAXKS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.445,259-909-8,55933-85-2,"1-(2,4-dimethylpyrimidin-5-yl)ethan-1-one","1-(2,4-dimethylpyrimidin-5-yl)ethanone",CC(=O)c1cnc(C)nc1C,CC(=O)c1cnc(C)nc1C,"InChI=1/C8H10N2O/c1-5-8(6(2)11)4-9-7(3)10-5/h4H,1-3H3",C8H10N2O,,,,,,ULFYOIKCNJOCFW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.447,259-911-9,55937-50-3,2-chloro-6-cyclopentyl-4-nitrophenol,2-chloro-6-cyclopentyl-4-nitrophenol,Oc1c(Cl)cc(cc1C2CCCC2)[N+](=O)[O-],Oc1c(Cl)cc(cc1C2CCCC2)[N+](=O)[O-],"InChI=1/C11H12ClNO3/c12-10-6-8(13(15)16)5-9(11(10)14)7-3-1-2-4-7/h5-7,14H,1-4H2",C11H12ClNO3,,,,,,HDCOPLJVLHIPBO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.448,259-912-4,55937-99-0,Beclobrate,ethyl 2-[4-(4-chlorobenzyl)phenoxy]-2-methylbutanoate,CCOC(=O)C(C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1,CCOC(=O)C(C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1,"InChI=1/C20H23ClO3/c1-4-20(3,19(22)23-5-2)24-18-12-8-16(9-13-18)14-15-6-10-17(21)11-7-15/h6-13H,4-5,14H2,1-3H3",C20H23ClO3,,,,,,YWQGBCXVCXMSLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.449,259-914-5,55940-73-3,Oxydipropylene disalicylate,oxydipropylene disalicylate,C\\C=C\\O\\C=C\\C.Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],C\C=C\O\C=C\C.Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.C6H10O/c2*8-6-4-2-1-3-5(6)7(9)10;1-3-5-7-6-4-2/h2*1-4,8H,(H,9,10);3-6H,1-2H3/p-2",C20H22O7,,,,,,LKMKUMPCLLLLCR-VNSFXZCVSA-L,,,,,,,,,,,
100.054.452,259-917-1,55950-68-0,(2-chloro-4-nitrophenyl)hydrazine,(2-chloro-4-nitrophenyl)hydrazine,NNc1ccc(cc1Cl)[N+](=O)[O-],NNc1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C6H6ClN3O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H,8H2",C6H6ClN3O2,,,,,,JBFZYCIJRNJFOG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.460,259-926-0,55972-71-9,p-phenylenediamine hydrochloride,"benzene-1,4-diamine hydrochloride",Cl.Nc1ccc(N)cc1,Cl.Nc1ccc(N)cc1,"InChI=1/C6H8N2.ClH/c7-5-1-2-6(8)4-3-5;/h1-4H,7-8H2;1H",C6H8N2.xClH,,,,,,MCIURFJELJKSNV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.467,259-933-9,55987-49-0,"1-(6,6,9-trimethyl-2-methylenecycloundeca-4,8-dien-1-yl)ethan-1-one","1-(6,6,9-trimethyl-2-methylenecycloundeca-4,8-dien-1-yl)ethanone",CC(=O)C1CC\\C(=C/CC(C)(C)\\C=C/CC1=C)\\C,CC(=O)C1CC\C(=C/CC(C)(C)\C=C/CC1=C)\C,"InChI=1/C17H26O/c1-13-8-9-16(15(3)18)14(2)7-6-11-17(4,5)12-10-13/h6,10-11,16H,2,7-9,12H2,1,3-5H3",C17H26O,,,,,,YRFMWVJKSSLTAZ-RGVLGYCYSA-N,,,,,,,,,,,
100.033.352,236-703-6,13465-66-2,Selenium tetrafluoride,selenium tetrafluoride,[F-].[F-].[F-].[F-].[SeH4+2].[SeH4+2],[F-].[F-].[F-].[F-].[SeH4+2].[SeH4+2],InChI=1/4FH.2H4Se/h4*1H;2*1H4/q;;;;2*+2/p-4,F4Se,,,,,,RGQOPXVLLVNYQZ-UHFFFAOYSA-J,,,,,,,,,,,
100.033.353,236-704-1,13465-77-5,Hexachlorodisilane,hexachlorodisilane,Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl,"InChI=1/Cl6Si2/c1-7(2,3)8(4,5)6",Cl6Si2,,,,,,LXEXBJXDGVGRAR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.461,261-026-8,57938-79-1,2-[[(2-hydroxyphenyl)methyl]amino]acetamide,N~2~-(2-hydroxybenzyl)glycinamide,NC(=O)CNCc1ccccc1O,NC(=O)CNCc1ccccc1O,"InChI=1/C9H12N2O2/c10-9(13)6-11-5-7-3-1-2-4-8(7)12/h1-4,11-12H,5-6H2,(H2,10,13)",C9H12N2O2,,,,,,PQXNDCCYQCMSTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.467,261-033-6,57945-70-7,Bis(2-hydroxy-3-decyloxypropyl)dimethylammonium chloride,"3-(decyloxy)-N-[3-(decyloxy)-2-hydroxypropyl]-2-hydroxy-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCOCC(O)C[N+](C)(C)CC(O)COCCCCCCCCCC,[Cl-].CCCCCCCCCCOCC(O)C[N+](C)(C)CC(O)COCCCCCCCCCC,"InChI=1/C28H60NO4.ClH/c1-5-7-9-11-13-15-17-19-21-32-25-27(30)23-29(3,4)24-28(31)26-33-22-20-18-16-14-12-10-8-6-2;/h27-28,30-31H,5-26H2,1-4H3;1H/q+1;/p-1",C28H60NO4.Cl,,,,,,NKDCGCAEPRFSGN-UHFFFAOYSA-M,,,,,,,,,,,
100.055.471,261-037-8,57951-36-7,"N,N-dimethylpyridin-1-amine","N,N-dimethylpyridin-1(2H)-amine",CN(C)N1CC=CC=C1,CN(C)N1CC=CC=C1,"InChI=1/C7H12N2/c1-8(2)9-6-4-3-5-7-9/h3-6H,7H2,1-2H3",C7H10N2,,,,,,OKDQKPLMQBXTNH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.483,261-050-9,57967-74-5,"[2a,5ß(S*)]-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl acetate","2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-yl acetate",CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C,CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C,"InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3",C15H26O3,,,,,,LTAWGWRPOGXHBD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.484,261-051-4,57973-67-8,Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-L-alaninate,isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-L-alaninate,CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2,CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2,"InChI=1/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3",C19H19ClFNO3,,,,,,IKVXBIIHQGXQRQ-ZDUSSCGKSA-N,,,,,,,,,,,
100.055.486,261-054-0,57980-07-1,"4-methyl-7-morpholino-2H-pyrano[2,3-b]pyridin-2-one","4-methyl-7-morpholin-4-yl-2H-pyrano[2,3-b]pyridin-2-one",CC1=CC(=O)Oc2nc(ccc12)N3CCOCC3,CC1=CC(=O)Oc2nc(ccc12)N3CCOCC3,"InChI=1/C13H14N2O3/c1-9-8-12(16)18-13-10(9)2-3-11(14-13)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3",C13H14N2O3,,,,,,UGHFUCYBDDPFJX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.491,261-059-8,57981-61-0,"(Z,E)-trideca-4,7-dien-1-ol","trideca-4,7-dien-1-ol",CCCCCC=CCC=CCCCO,CCCCCC=CCC=CCCCO,"InChI=1/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-10,14H,2-5,8,11-13H2,1H3",C13H24O,,,,,,RJYCGBIUZZJVLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.492,261-060-3,57981-99-4,"2-chloro-1,4-phenylene diacetate","2-chloro-1,4-phenylene diacetate",CC(=O)Oc1ccc(OC(=O)C)c(Cl)c1,CC(=O)Oc1ccc(OC(=O)C)c(Cl)c1,"InChI=1/C10H9ClO4/c1-6(12)14-8-3-4-10(9(11)5-8)15-7(2)13/h3-5H,1-2H3",C10H9ClO4,,,,,,BJNWFLGHFAIHAX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.493,261-061-9,57982-77-1,Buserelin,5-oxoprolylhistidyltryptophylseryltyrosyl-O-tert-butylserylleucylarginyl-N-ethylprolinamide,CCNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]cn5)NC(=O)C6CCC(=O)N6,CCNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]cn5)NC(=O)C6CCC(=O)N6,"InChI=1/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)",C60H86N16O13,,,,,,CUWODFFVMXJOKD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.001,264-921-1,64493-21-6,"2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium] diiodide","2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium] diiodide",[I-].[I-].COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC,[I-].[I-].COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC,"InChI=1/C53H72N2O12.2HI/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;;/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1H/q+2;;/p-2",C53H72N2O12.2I,,,,,,YJIYHDCQNHBGDU-UHFFFAOYSA-L,,,,,,,,,,,
100.059.002,264-922-7,64497-21-8,4-[(4-aminophenyl)methyl]-o-toluidine,4-(4-aminobenzyl)-2-methylaniline,Cc1cc(Cc2ccc(N)cc2)ccc1N,Cc1cc(Cc2ccc(N)cc2)ccc1N,"InChI=1/C14H16N2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h2-8H,9,15-16H2,1H3",C14H16N2,,,,,,AFEORBFSJSJGDW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.989,240-704-7,16662-46-7,"[3-cyano-3-(3,4,5-trimethoxyphenyl)hex-6-yl]-(5,6-dimethoxyphenethyl)methylammonium chloride","4-cyano-N-[2-(2,3-dimethoxyphenyl)ethyl]-N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-1-aminium chloride",[Cl-].CCC(CCC[NH+](C)CCc1cccc(OC)c1OC)(C#N)c2cc(OC)c(OC)c(OC)c2,[Cl-].CCC(CCC[NH+](C)CCc1cccc(OC)c1OC)(C#N)c2cc(OC)c(OC)c(OC)c2,"InChI=1/C27H38N2O5.ClH/c1-8-27(19-28,21-17-23(31-4)26(34-7)24(18-21)32-5)14-10-15-29(2)16-13-20-11-9-12-22(30-3)25(20)33-6;/h9,11-12,17-18H,8,10,13-16H2,1-7H3;1H",C28H40N2O5.ClH,,,,,,HCNPFTNEZMHPCW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.997,240-713-6,16668-48-7,"Dimethyl a,a'-dichlorotricyclo[3.3.1.13,7]decane-1,3-diacetate","dimethyl 2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis(chloroacetate)",COC(=O)C(Cl)C12CC3CC(CC(C3)(C1)C(Cl)C(=O)OC)C2,COC(=O)C(Cl)C12CC3CC(CC(C3)(C1)C(Cl)C(=O)OC)C2,"InChI=1/C16H22Cl2O4/c1-21-13(19)11(17)15-4-9-3-10(5-15)7-16(6-9,8-15)12(18)14(20)22-2/h9-12H,3-8H2,1-2H3",C16H22Cl2O4,,,,,,AADCSFJSFODVPA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.774,242-668-8,18917-85-6,Manganese disalicylate,manganese(2+) bis(2-hydroxybenzoate),[Mn+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Mn+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.Mn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C14H10MnO6,,,,,,OZIKUNPJXSWSMD-UHFFFAOYSA-L,,,,,,,,,,,
100.038.777,242-671-4,18917-93-6,"Di(lactato-O1,O2)magnesium",magnesium bis(2-hydroxypropanoate),CC(O)C(=O)O[Mg]OC(=O)C(C)O,CC(O)C(=O)O[Mg]OC(=O)C(C)O,"InChI=1/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C6H10MgO6,,,,,,OVGXLJDWSLQDRT-UHFFFAOYSA-L,,,,,,,,,,,
100.038.779,242-674-0,18918-13-3,"Bis(diallyldithiocarbamato-S,S')zinc",zinc bis(diallyldithiocarbamate),C=CCN(CC=C)C(=S)S[Zn]SC(=S)N(CC=C)CC=C,C=CCN(CC=C)C(=S)S[Zn]SC(=S)N(CC=C)CC=C,"InChI=1/2C7H11NS2.Zn/c2*1-3-5-8(6-4-2)7(9)10;/h2*3-4H,1-2,5-6H2,(H,9,10);/q;;+2/p-2/rC14H20N2S4Zn/c1-5-9-15(10-6-2)13(17)19-21-20-14(18)16(11-7-3)12-8-4/h5-8H,1-4,9-12H2",C14H20N2S4Zn,,,,,,BEPJQQCXNPCQKK-UHFFFAOYSA-L,,,,,,,,,,,
100.038.780,242-675-6,18921-11-4,Hydroxyaluminium disalicylate,hydroxyaluminum(2+) bis(2-hydroxybenzoate),O[Al+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],O[Al+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.Al.H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;1H2/q;;+3;/p-3/r2C7H6O3.AlHO/c2*8-6-4-2-1-3-5(6)7(9)10;1-2/h2*1-4,8H,(H,9,10);2H/q;;+2/p-2",C14H11AlO7,,,,,,KFTNJALKRJCBGB-UHFFFAOYSA-K,,,,,,,,,,,
100.038.798,242-695-5,18942-46-6,N-(tert-butoxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine,N-(tert-butoxycarbonyl)-S-(4-methoxybenzyl)-L-cysteine,COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1,COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1,"InChI=1/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)",C16H23NO5S,,,,,,VRTXRNJMNFVTOM-ZDUSSCGKSA-N,,,,,,,,,,,
100.038.799,242-696-0,18943-30-1,Strontium hexafluorosilicate(2-),strontium hexafluorosilicate,[Sr+2].F[Si-2](F)(F)(F)(F)F,[Sr+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.Sr/c1-7(2,3,4,5)6;/q-2;+2",F6Si.Sr,,,,,,FWLLGXGTTQVIOG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.812,242-710-5,18976-74-4,"Disodium 5-chloro-6-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]toluene-3-sulphonate","disodium 3-chloro-4-{4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-5-methylbenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1c(Cl)cc(cc1C)S([O-])(=O)=O)C2=O)c(OC)cc3,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1c(Cl)cc(cc1C)S([O-])(=O)=O)C2=O)c(OC)cc3,"InChI=1/C20H21ClN4O11S3.2Na/c1-11-8-14(38(29,30)31)9-15(21)19(11)25-20(26)18(12(2)24-25)23-22-16-10-13(4-5-17(16)35-3)37(27,28)7-6-36-39(32,33)34;;/h4-5,8-10,18H,6-7H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C20H21ClN4O11S3.2Na,,,,,,MDNHFVJYEPHAAQ-UHFFFAOYSA-L,,,,,,,,,,,
100.038.815,242-713-1,18979-55-0,4-hexyloxyphenol,4-(hexyloxy)phenol,CCCCCCOc1ccc(O)cc1,CCCCCCOc1ccc(O)cc1,"InChI=1/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3",C12H18O2,,,,,,XIIIHRLCKLSYNH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.819,242-717-3,18980-00-2,2-chloro-4-ethylphenol,2-chloro-4-ethylphenol,CCc1ccc(O)c(Cl)c1,CCc1ccc(O)c(Cl)c1,"InChI=1/C8H9ClO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3",C8H9ClO,,,,,,QNQRRCHRJHMSLF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.821,242-719-4,18982-54-2,2-bromobenzyl alcohol,(2-bromophenyl)methanol,OCc1ccccc1Br,OCc1ccccc1Br,"InChI=1/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2",C7H7BrO,,,,,,IOWGHQGLUMEZKG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.407,238-964-1,14892-14-9,(pentafluorophenoxy)acetic acid,(pentafluorophenoxy)acetic acid,OC(=O)COc1c(F)c(F)c(F)c(F)c1F,OC(=O)COc1c(F)c(F)c(F)c(F)c1F,"InChI=1/C8H3F5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)",C8H3F5O3,,,,,,SMXPFEBIAASLOR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.431,238-990-3,14919-01-8,(E)-oct-3-ene,oct-3-ene,CCCC\\C=C\\CC,CCCC\C=C\CC,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3",C8H16,,,,,,YCTDZYMMFQCTEO-FNORWQNLSA-N,,,,,,,,,,,
100.061.121,267-253-9,67828-31-3,"Naphthalene-2,7-disulphonic acid, compound with 4-(diethylamino)-a-[4-(diethylamino)phenyl]benzenemethanol (1:1)","naphthalene-2,7-disulfonic acid - bis[4-(diethylamino)phenyl]methanol (1:1)",CCN(CC)c1ccc(cc1)C(O)c2ccc(cc2)N(CC)CC.OS(=O)(=O)c3ccc4ccc(cc4c3)S(=O)(=O)O,CCN(CC)c1ccc(cc1)C(O)c2ccc(cc2)N(CC)CC.OS(=O)(=O)c3ccc4ccc(cc4c3)S(=O)(=O)O,"InChI=1/C21H30N2O.C10H8O6S2/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4;11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h9-16,21,24H,5-8H2,1-4H3;1-6H,(H,11,12,13)(H,14,15,16)",C21H30N2O.C10H8O6S2,,,,,,VZXHRZHLSFNNMC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.750,261-345-2,58585-87-8,"N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide phosphate, compound with methanol (1:1)","N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide phosphate, compound with methanol (1:1)",Cc1cc(ccc1N)N(CC)CCNS(C)(=O)=O.CO.OP(O)(=O)O,Cc1cc(ccc1N)N(CC)CCNS(C)(=O)=O.CO.OP(O)(=O)O,"InChI=1/C12H21N3O2S.CH4O.H3O4P/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;1-2;1-5(2,3)4/h5-6,9,14H,4,7-8,13H2,1-3H3;2H,1H3;(H3,1,2,3,4)",C12H21N3O2S.CH4O.H3O4P,,,,,,JKYJRXHXJKVZSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.758,261-354-1,58596-07-9,5-amino-1-hydroxynaphthalene-2-sulphonic acid,5-amino-1-hydroxynaphthalene-2-sulfonic acid,Nc1cccc2c(O)c(ccc12)S(=O)(=O)O,Nc1cccc2c(O)c(ccc12)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-8-3-1-2-7-6(8)4-5-9(10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,WIBJYEYYELZZGS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.762,261-358-3,58599-62-5,"(tetrachloro-1,3-phenylene)bis(methylene) bismethacrylate","(2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) bis(2-methylacrylate)",CC(=C)C(=O)OCc1c(Cl)c(Cl)c(Cl)c(COC(=O)C(=C)C)c1Cl,CC(=C)C(=O)OCc1c(Cl)c(Cl)c(Cl)c(COC(=O)C(=C)C)c1Cl,"InChI=1/C16H14Cl4O4/c1-7(2)15(21)23-5-9-11(17)10(6-24-16(22)8(3)4)13(19)14(20)12(9)18/h1,3,5-6H2,2,4H3",C16H14Cl4O4,,,,,,XSMFIBMPIFMHOM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.763,261-359-9,58599-63-6,"(tetrachloro-1,4-phenylene)bis(methylene) bismethacrylate","(2,3,5,6-tetrachloro-1,4-phenylene)bis(methylene) bis(2-methylacrylate)",CC(=C)C(=O)OCc1c(Cl)c(Cl)c(COC(=O)C(=C)C)c(Cl)c1Cl,CC(=C)C(=O)OCc1c(Cl)c(Cl)c(COC(=O)C(=C)C)c(Cl)c1Cl,"InChI=1/C16H14Cl4O4/c1-7(2)15(21)23-5-9-11(17)13(19)10(14(20)12(9)18)6-24-16(22)8(3)4/h1,3,5-6H2,2,4H3",C16H14Cl4O4,,,,,,JFFXSAIBBQCTEU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.481,266-550-0,67024-75-3,7-undecylquinolin-8-ol,7-undecylquinolin-8-ol,CCCCCCCCCCCc1ccc2cccnc2c1O,CCCCCCCCCCCc1ccc2cccnc2c1O,"InChI=1/C20H29NO/c1-2-3-4-5-6-7-8-9-10-12-18-15-14-17-13-11-16-21-19(17)20(18)22/h11,13-16,22H,2-10,12H2,1H3",C20H29NO,,,,,,GWEBMPLMIBHPCC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.482,266-551-6,67025-99-4,"2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate","2,2-bis(hydroxymethyl)butyl 12-hydroxyoctadec-9-enoate",CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C24H46O5/c1-3-5-6-13-16-22(27)17-14-11-9-7-8-10-12-15-18-23(28)29-21-24(4-2,19-25)20-26/h11,14,22,25-27H,3-10,12-13,15-21H2,1-2H3",C24H46O5,,,,,,ZKAPWSZGZJBXME-QOYCNBSOSA-N,,,,,,,,,,,
100.060.487,266-556-3,67040-53-3,Tiprostanide,4-(benzoylamino)phenyl 7-{3-hydroxy-2-[(2-hydroxy-2-methylheptyl)sulfanyl]-5-oxocyclopentyl}heptanoate,CCCCCC(C)(O)CS[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)Oc2ccc(NC(=O)c3ccccc3)cc2,CCCCCC(C)(O)CS[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)Oc2ccc(NC(=O)c3ccccc3)cc2,"InChI=1/C33H45NO6S/c1-3-4-12-21-33(2,39)23-41-31-27(28(35)22-29(31)36)15-10-5-6-11-16-30(37)40-26-19-17-25(18-20-26)34-32(38)24-13-8-7-9-14-24/h7-9,13-14,17-20,27,29,31,36,39H,3-6,10-12,15-16,21-23H2,1-2H3,(H,34,38)",C33H45NO6S,,,,,,DRWKZQHXBXCXEO-ONNUEXRDSA-N,,,,,,,,,,,
100.060.490,266-560-5,67057-32-3,Tributyl[(dimethylthiocarbamoyl)thio]stannane,"N,N-dimethyl-1-thioxo-1-[(tributylstannyl)sulfanyl]methanamine",CCCC[Sn](CCCC)(CCCC)SC(=S)N(C)C,CCCC[Sn](CCCC)(CCCC)SC(=S)N(C)C,"InChI=1/3C4H9.C3H7NS2.Sn/c3*1-3-4-2;1-4(2)3(5)6;/h3*1,3-4H2,2H3;1-2H3,(H,5,6);/q;;;;+1/p-1/rC15H33NS2Sn/c1-6-9-12-19(13-10-7-2,14-11-8-3)18-15(17)16(4)5/h6-14H2,1-5H3",C15H33NS2Sn,,,,,,CXGOYWIFLADZKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.495,266-565-2,67078-97-1,"Isopropyl 2-propoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","isopropyl 2-propoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CCCOCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C,CCCOCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C,"InChI=1/C23H30N2O7/c1-6-10-30-11-12-31-22(26)19-15(4)24-16(5)20(23(27)32-14(2)3)21(19)17-8-7-9-18(13-17)25(28)29/h7-9,13-14,21,24H,6,10-12H2,1-5H3",C23H30N2O7,,,,,,BJZLZKZOTKFYIS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.496,266-566-8,67083-28-7,"3-nitro-2,6-xylidine","2,6-dimethyl-3-nitroaniline",Cc1ccc(c(C)c1N)[N+](=O)[O-],Cc1ccc(c(C)c1N)[N+](=O)[O-],"InChI=1/C8H10N2O2/c1-5-3-4-7(10(11)12)6(2)8(5)9/h3-4H,9H2,1-2H3",C8H10N2O2,,,,,,LDFJDBAOBVUXMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.355,236-706-2,13465-84-4,Silicon tetraiodide,silicon(4+) tetraiodide,[Si+4].[I-].[I-].[I-].[I-],[Si+4].[I-].[I-].[I-].[I-],InChI=1/4HI.H4Si/h4*1H;1H4/q;;;;+4/p-4,I4Si,,,,,,JHGCXUUFRJCMON-UHFFFAOYSA-J,,,,,,,,,,,
100.033.356,236-707-8,13465-88-8,Silver metaborate,silver metaborate,[Ag+].[O-]B=O,[Ag+].[O-]B=O,InChI=1/Ag.BO2/c;2-1-3/q+1;-1,Ag.BHO2,,,,,,LGXHAKXISCHJPE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.358,236-709-9,13465-94-6,Barium nitrite,barium dinitrite,[Ba+2].[O-]N=O.[O-]N=O,[Ba+2].[O-]N=O.[O-]N=O,"InChI=1/Ba.2HNO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2",Ba.2HNO2,,,,,,GJTDJAPHKDIQIQ-UHFFFAOYSA-L,,,,,,,,,,,
100.033.361,236-713-0,13465-97-9,Tetrasilver pyrophosphate,tetrasilver(1+) diphosphate,[Ag+].[Ag+].[Ag+].[Ag+].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Ag+].[Ag+].[Ag+].[Ag+].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/4Ag.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",Ag.1/4H4O7P2,,,,,,VPKAOUKDMHJLAY-UHFFFAOYSA-J,,,,,,,,,,,
100.033.366,236-718-8,13466-40-5,"5-phenylpenta-2,4-dienal","5-phenylpenta-2,4-dienal",O=CC=CC=Cc1ccccc1,O=CC=CC=Cc1ccccc1,InChI=1/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-10H,C11H10O,,,,,,UWTZBVTWSKWXMN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.367,236-719-3,13466-78-9,"3,7,7-trimethylbicyclo[4.1.0]hept-3-ene","3,7,7-trimethylbicyclo[4.1.0]hept-3-ene",CC1=CCC2C(C1)C2(C)C,CC1=CCC2C(C1)C2(C)C,"InChI=1/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",C10H16,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2226,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.367,BQOFWKZOCNGFEC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.368,236-720-9,13467-82-8,tert-butyl octaneperoxoate,tert-butyl octaneperoxoate,CCCCCCCC(=O)OOC(C)(C)C,CCCCCCCC(=O)OOC(C)(C)C,"InChI=1/C12H24O3/c1-5-6-7-8-9-10-11(13)14-15-12(2,3)4/h5-10H2,1-4H3",C12H24O3,,,,,,BWSZXUOMATYHHI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.371,236-724-0,13468-02-5,Dimethyl(2-phenoxyethyl)amine,"N,N-dimethyl-2-phenoxyethanamine",CN(C)CCOc1ccccc1,CN(C)CCOc1ccccc1,"InChI=1/C10H15NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",C10H15NO,,,,,,RUHVDRGWCIAFLG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.373,236-726-1,13468-92-3,Tris(6-tert-butyl-m-tolyl) phosphite,tris(2-tert-butyl-5-methylphenyl) phosphite,Cc1ccc(c(OP(Oc2cc(C)ccc2C(C)(C)C)Oc3cc(C)ccc3C(C)(C)C)c1)C(C)(C)C,Cc1ccc(c(OP(Oc2cc(C)ccc2C(C)(C)C)Oc3cc(C)ccc3C(C)(C)C)c1)C(C)(C)C,"InChI=1/C33H45O3P/c1-22-13-16-25(31(4,5)6)28(19-22)34-37(35-29-20-23(2)14-17-26(29)32(7,8)9)36-30-21-24(3)15-18-27(30)33(10,11)12/h13-21H,1-12H3",C33H45O3P,,,,,,BMHHAKYFQUVKJF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.882,238-387-5,14408-42-5,2-(8-heptadecenyl)-4-methyl-2-oxazoline-4-methanol,"(2-heptadec-8-en-1-yl-4-methyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CC1(CO)/N=C(/CCCCCCCC=CCCCCCCCC)OC1,CC1(CO)/N=C(/CCCCCCCC=CCCCCCCCC)OC1,"InChI=1/C22H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23-22(2,19-24)20-25-21/h10-11,24H,3-9,12-20H2,1-2H3",C22H41NO2,,,,,,HCIRJRYSFLWMMS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.885,238-390-1,14414-32-5,"4-hydroxy-3,5-dimethoxybenzaldehyde azine","4,4'-(hydrazine-1,2-diylidenedimethylylidene)bis(2,6-dimethoxyphenol)",COc1cc(C=NN=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(C=NN=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,"InChI=1/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3",C18H20N2O6,,,,,,YARKTHNUMGKMGS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.886,238-391-7,14417-67-5,"1,1'-[ethylenebis(oxymethylene)]dipyridinium dichloride","1,1'-[ethane-1,2-diylbis(oxymethylene)]dipyridinium dichloride",[Cl-].[Cl-].C(COC[n+]1ccccc1)OC[n+]2ccccc2,[Cl-].[Cl-].C(COC[n+]1ccccc1)OC[n+]2ccccc2,"InChI=1/C14H18N2O2.2ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;/h1-10H,11-14H2;2*1H/q+2;;/p-2",C14H18N2O2.2Cl,,,,,,BQHBBENFAJGTNJ-UHFFFAOYSA-L,,,,,,,,,,,
100.034.889,238-394-3,14426-16-5,"N,N-diisopentylaniline","N,N-bis(3-methylbutyl)aniline",CC(C)CCN(CCC(C)C)c1ccccc1,CC(C)CCN(CCC(C)C)c1ccccc1,"InChI=1/C16H27N/c1-14(2)10-12-17(13-11-15(3)4)16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3",C16H27N,,,,,,CIBZNPRJGQNSEV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.895,238-402-5,14430-23-0,"5,6-dimethoxy-1H-indole","5,6-dimethoxy-1H-indole",COc1cc2cc[nH]c2cc1OC,COc1cc2cc[nH]c2cc1OC,"InChI=1/C10H11NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h3-6,11H,1-2H3",C10H11NO2,,,,,,QODBZRNBPUPLEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.379,241-133-6,17074-02-1,2-O-(6-deoxy-a-L-mannopyranosyl)-D-glucose,2-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucose,C[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C12H22O10/c1-4-7(16)10(19)11(20)12(21-4)22-6(3-14)9(18)8(17)5(15)2-13/h3-13,15-20H,2H2,1H3",C12H22O10,,,,,,BQEBASLZIGFWEU-YMKBBEOCSA-N,,,,,,,,,,,
100.037.381,241-135-7,17081-40-2,"(Z,Z)-N-[3-(9-octadecenylamino)propyl]-9-octadecenamide",N-[3-(octadec-9-en-1-ylamino)propyl]octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCNCCCCCCCCC=CCCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCNCCCCCCCCC=CCCCCCCCC,"InChI=1/C39H76N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40-37-34-38-41-39(42)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-38H2,1-2H3,(H,41,42)",C39H76N2O,,,,,,QJRZJHNKYKBDSN-FKVHLOHMSA-N,,,,,,,,,,,
100.059.004,264-924-8,64501-19-5,"2,5-dichloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-N,N-dimethylbenzenesulphonamide","2,5-dichloro-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-N,N-dimethylbenzenesulfonamide",Clc2cc(c(Cl)cc2N=Nc1ccc(cc1)N(CC)CCC#N)S(=O)(=O)N(C)C,Clc2cc(c(Cl)cc2N=Nc1ccc(cc1)N(CC)CCC#N)S(=O)(=O)N(C)C,"InChI=1/C19H21Cl2N5O2S/c1-4-26(11-5-10-22)15-8-6-14(7-9-15)23-24-18-12-17(21)19(13-16(18)20)29(27,28)25(2)3/h6-9,12-13H,4-5,11H2,1-3H3",C19H21Cl2N5O2S,,,,,,CRNZYEPBJAYXLA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.012,264-933-7,64509-07-5,Octadecadienyl dihydrogen phosphate,"octadeca-1,3-dien-1-yl dihydrogen phosphate",OP(=O)(O)OC=CC=CCCCCCCCCCCCCCC,OP(=O)(O)OC=CC=CCCCCCCCCCCCCCC,"InChI=1/C18H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h15-18H,2-14H2,1H3,(H2,19,20,21)",C18H35O4P,,,,,,OZXHJMFUPFOZLA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.025,264-947-3,64576-90-5,"(2E,4E)-nona-2,4-dien-1-ol","nona-2,4-dien-1-ol",CCCC\\C=C\\C=C\\CO,CCCC\C=C\C=C\CO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3",C9H16O,,,,,,NCPWFIVLKCFWSP-BSWSSELBSA-N,,,,,,,,,,,
100.061.062,267-188-6,67801-68-7,Disodium di-2-naphthylmethanedisulphonate,disodium di-2-naphthylmethanedisulfonate,[Na+].[Na+].[O-]S(=O)(=O)C(c1ccc2ccccc2c1)(c3ccc4ccccc4c3)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)C(c1ccc2ccccc2c1)(c3ccc4ccccc4c3)S(=O)(=O)[O-],"InChI=1/C21H16O6S2.2Na/c22-28(23,24)21(29(25,26)27,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20;;/h1-14H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C21H16O6S2.2Na,,,,,,UPUGCJSMZARLEL-UHFFFAOYSA-L,,,,,,,,,,,
100.061.066,267-192-8,67810-86-0,(1-methoxyethyl)cyclohexane,(1-methoxyethyl)cyclohexane,COC(C)C1CCCCC1,COC(C)C1CCCCC1,"InChI=1/C9H18O/c1-8(10-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",C9H18O,,,,,,ZNPFXBUKHUJVKH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.068,267-194-9,67815-66-1,Sodium hydrogen 2-[(2-amino-5-hydroxy-7-sulphonato-1-naphthyl)azo]-5-nitrobenzoate,sodium hydrogen 2-[(2-amino-5-hydroxy-7-sulfonato-1-naphthyl)diazenyl]-5-nitrobenzoate,[H+].[Na+].[O-][N+](=O)c3ccc(N=Nc2c(N)ccc1c2cc(cc1O)S([O-])(=O)=O)c(c3)C([O-])=O,[H+].[Na+].[O-][N+](=O)c3ccc(N=Nc2c(N)ccc1c2cc(cc1O)S([O-])(=O)=O)c(c3)C([O-])=O,"InChI=1/C17H12N4O8S.Na.H2/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24;;/h1-7,22H,18H2,(H,23,24)(H,27,28,29);;1H/q;2*+1/p-2",C17H12N4O8S.Na,,,,,,HXNKYOMYRHLTNN-UHFFFAOYSA-M,,,,,,,,,,,
100.061.071,267-198-0,67815-69-4,"Trisodium 7-aminonaphthalene-1,3,5-trisulphonate","trisodium 7-aminonaphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Nc1cc(c2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1cc(c2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO9S3.3Na/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3",C10H9NO9S3.3Na,,,,,,KOCPUFFMRLCYDL-UHFFFAOYSA-K,,,,,,,,,,,
100.061.073,267-201-5,67815-89-8,[1-methyl-2-[(1-oxo-9-octadecenyl)amino]ethyl] hydrogen maleate,4-[1-methyl-2-(oleoylamino)ethoxy]-4-oxobut-2-enoic acid,O=C(NCC(C)OC(=O)/C=C\\C(O)=O)CCCCCCCC=CCCCCCCCC,O=C(NCC(C)OC(=O)/C=C\C(O)=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C25H43NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-21-22(2)31-25(30)20-19-24(28)29/h10-11,19-20,22H,3-9,12-18,21H2,1-2H3,(H,26,27)(H,28,29)",C25H43NO5,,,,,,BAMILFSYGWVQLH-MIZJHOCHSA-N,,,,,,,,,,,
100.061.077,267-205-7,67815-96-7,Sodium 1-(8-methylnonyl) 9-(sulphooxy)octadecanoate,-,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCCCCCCC(C)C)OS(=O)(=O)O,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCCCCCCC(C)C)OS(=O)(=O)O,"InChI=1/C28H56O6S.Na/c1-4-5-6-7-8-12-17-22-27(34-35(30,31)32)23-18-13-9-14-19-24-28(29)33-25-20-15-10-11-16-21-26(2)3;/h26-27H,4-25H2,1-3H3,(H,30,31,32);/q;+1",C28H56O6S.Na,,,,,,GNBIPBCPWNLULT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.079,267-207-8,67816-05-1,Ruthenium tris(2-ethylhexanoate),-,[Ru+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ru+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Ru/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+2/p-3",C8H16O2.1/3Ru,,,,,,AFNDKJYLJWQVKL-UHFFFAOYSA-K,,,,,,,,,,,
100.061.081,267-209-9,67816-07-3,Iridium tris(2-ethylhexanoate),iridium(3+) tris(2-ethylhexanoate),[Ir+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ir+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Ir/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Ir,,,,,,ZARMTHMHGLQSAY-UHFFFAOYSA-K,,,,,,,,,,,
100.061.088,267-217-2,67824-38-8,(S)-2-(chloromethyl)-1-methylpyrrolidinium chloride,2-(chloromethyl)-1-methylpyrrolidinium chloride,[Cl-].C[NH+]1CCC[C@H]1CCl,[Cl-].C[NH+]1CCC[C@H]1CCl,"InChI=1/C6H12ClN.ClH/c1-8-4-2-3-6(8)5-7;/h6H,2-5H2,1H3;1H",C6H12ClN.ClH,,,,,,JMYYNTRVGBDWDB-RGMNGODLSA-N,,,,,,,,,,,
100.061.089,267-218-8,67824-44-6,"4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecane-1,2-diol","4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecane-1,2-diol",OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C12H7F19O2/c13-4(14,1-3(33)2-32)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3,32-33H,1-2H2",C12H7F19O2,,,,,,FYPAMSWJAKTIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.434,238-994-5,14923-81-0,Cadmium diicosanoate,cadmium diicosanoate,[Cd+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C20H40O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2",C20H40O2.1/2Cd,,,,,,RBHNZROBARWZDN-UHFFFAOYSA-L,,,,,,,,,,,
100.035.443,239-003-9,14933-09-6,Dimethyl(3-sulphonatopropyl)tetradecylammonium,3-[dimethyl(tetradecyl)ammonio]propane-1-sulfonate,CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3",C19H41NO3S,,,,,,BHATUINFZWUDIX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.446,239-007-0,14933-76-7,3-ethyl-2-methylbenzothiazolium p-toluenesulphonate,"3-ethyl-2-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",CC[n+]1c(C)sc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[n+]1c(C)sc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C10H12NS.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C10H12NS.C7H7O3S,,,,,,NJSVJXQJFLLFCG-UHFFFAOYSA-M,,,,,,,,,,,
100.035.447,239-008-6,14933-78-9,4-nitropyridine-2-carboxylic acid 1-oxide,4-nitropyridine-2-carboxylic acid 1-oxide,OC(=O)c1cc(cc[n+]1[O-])[N+](=O)[O-],OC(=O)c1cc(cc[n+]1[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5/c9-6(10)5-3-4(8(12)13)1-2-7(5)11/h1-3H,(H,9,10)",C6H4N2O5,,,,,,KKYQRQZYRFVFTG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.453,239-014-9,14937-45-2,Tributylhexadecylphosphonium bromide,tributyl(hexadecyl)phosphonium bromide,[Br-].CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,[Br-].CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,"InChI=1/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",C28H60P.Br,,,,,,RYVBINGWVJJDPU-UHFFFAOYSA-M,,,,,,,,,,,
100.035.454,239-015-4,14938-35-3,4-pentylphenol,4-pentylphenol,CCCCCc1ccc(O)cc1,CCCCCc1ccc(O)cc1,"InChI=1/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3",C11H16O,,,,,,ZNPSUQQXTRRSBM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.733,234-920-0,12040-58-3,"Boric acid, calcium salt",calcium hydrogen borate,[Ca+2].OB([O-])[O-],[Ca+2].OB([O-])[O-],InChI=1/BHO3.Ca/c2-1(3)4;/h2H;/q-2;+2,-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12091,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.733,ZGWIMMOCWZKGPE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.738,234-925-8,12041-97-3,Androstenol,androst-1-en-1-ol,C[C@@]12CCC[C@H]1[C@@H]3CCC4CCC=C(O)[C@]4(C)[C@H]3CC2,C[C@@]12CCC[C@H]1[C@@H]3CCC4CCC=C(O)[C@]4(C)[C@H]3CC2,"InChI=1/C19H30O/c1-18-11-4-6-15(18)14-9-8-13-5-3-7-17(20)19(13,2)16(14)10-12-18/h7,13-16,20H,3-6,8-12H2,1-2H3",C19H30O,,,,,,WNWFENBGTAICPU-HQEMIIEJSA-N,,,,,,,,,,,
100.031.742,234-930-5,12042-65-8,"Aluminium, compound with calcium (2:1)",aluminum - calcium (2:1),[AlH3].[AlH3].[CaH2],[AlH3].[AlH3].[CaH2],InChI=1/2Al.Ca.8H/q2*+3;+2;;;;;;;;/r2AlH3.CaH2/h2*1H3;1H2/q2*+3;+2,Al.Ca,,,,,,QTILFSPCESIJJH-UHFFFAOYSA-N,,,,,,,,,,,
100.031.750,234-938-9,12043-28-6,"Aluminium, compound with terbium (2:1)",aluminum - terbium (2:1),[AlH3].[AlH3].[Tb],[AlH3].[AlH3].[Tb],InChI=1/2Al.Tb.6H/q3*+3;;;;;;/r2AlH3.Tb/h2*1H3;/q3*+3,Al.Tb,,,,,,WVUAOWBLTAWACX-UHFFFAOYSA-N,,,,,,,,,,,
100.032.008,235-222-9,12135-48-7,Platinum tetrahydroxide,platinum tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Pt+2].[Pt+2],[OH-].[OH-].[OH-].[OH-].[Pt+2].[Pt+2],InChI=1/4H2O.2Pt/h4*1H2;;/q;;;;2*+2/p-4,H4O4Pt,,,,,,YDZAAFRNRWSZEA-UHFFFAOYSA-J,,,,,,,,,,,
100.038.824,242-723-6,18989-35-0,"2,6-bis(p-methylbenzylidene)cyclohexan-1-one","2,6-bis(4-methylbenzylidene)cyclohexanone",Cc1ccc(cc1)C=C3CCCC(=Cc2ccc(C)cc2)C3=O,Cc1ccc(cc1)C=C3CCCC(=Cc2ccc(C)cc2)C3=O,"InChI=1/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3",C22H22O,,,,,,CETXDHNPPYXEOF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.831,242-730-4,18994-98-4,"2-oxo-1,2-diphenylethyl acrylate","2-oxo-1,2-diphenylethyl acrylate",C=CC(=O)OC(C(=O)c1ccccc1)c2ccccc2,C=CC(=O)OC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C17H14O3/c1-2-15(18)20-17(14-11-7-4-8-12-14)16(19)13-9-5-3-6-10-13/h2-12,17H,1H2",C17H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16638,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.831,MSMAPCFQRXQMRL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.835,242-735-1,18997-19-8,Chloromethyl pivalate,chloromethyl pivalate,CC(C)(C)C(=O)OCCl,CC(C)(C)C(=O)OCCl,"InChI=1/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3",C6H11ClO2,,,,,,GGRHYQCXXYLUTL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.837,242-737-2,18997-95-0,m-(diethylamino)phenyl acetate,3-(diethylamino)phenyl acetate,CCN(CC)c1cccc(OC(=O)C)c1,CCN(CC)c1cccc(OC(=O)C)c1,"InChI=1/C12H17NO2/c1-4-13(5-2)11-7-6-8-12(9-11)15-10(3)14/h6-9H,4-5H2,1-3H3",C12H17NO2,,,,,,SUQCWYXUPPYMOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.841,242-741-4,19008-43-6,Benzyl p-aminobenzoate,benzyl 4-aminobenzoate,Nc1ccc(cc1)C(=O)OCc2ccccc2,Nc1ccc(cc1)C(=O)OCc2ccccc2,"InChI=1/C14H13NO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10,15H2",C14H13NO2,,,,,,DAOPOOMCXJPWPK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.843,242-744-0,19009-53-1,4-isopropyl-a-methylcyclohexene-1-propan-1-al,3-(4-isopropylcyclohex-1-en-1-yl)-2-methylpropanal,CC(C)C1CCC(=CC1)CC(C)C=O,CC(C)C1CCC(=CC1)CC(C)C=O,"InChI=1/C13H22O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4,9-11,13H,5-8H2,1-3H3",C13H22O,,,,,,YWGFDOIOHHXYKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.250,260-795-7,57532-26-0,"3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisphthalic acid","3,3'-{(2,5-dichloro-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}diphthalic acid",Clc3cc(NC(C(C)=O)C(=O)N=Nc1cccc(C(O)=O)c1C(O)=O)c(Cl)cc3NC(C(C)=O)C(=O)N=Nc2cccc(C(O)=O)c2C(O)=O,Clc3cc(NC(C(C)=O)C(=O)N=Nc1cccc(C(O)=O)c1C(O)=O)c(Cl)cc3NC(C(C)=O)C(=O)N=Nc2cccc(C(O)=O)c2C(O)=O,"InChI=1/C30H22Cl2N6O12/c1-11(39)23(25(41)37-35-17-7-3-5-13(27(43)44)21(17)29(47)48)33-19-9-16(32)20(10-15(19)31)34-24(12(2)40)26(42)38-36-18-8-4-6-14(28(45)46)22(18)30(49)50/h3-10,23-24,33-34H,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)",C30H22Cl2N6O12,,,,,,QDWHZSGFTFBNGB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.259,260-804-4,57545-80-9,"2,2'-[(1-methylethylene)bis(thio)]dianiline","2,2'-(propane-1,2-diyldisulfanediyl)dianiline",CC(CSc1ccccc1N)Sc2ccccc2N,CC(CSc1ccccc1N)Sc2ccccc2N,"InChI=1/C15H18N2S2/c1-11(19-15-9-5-3-7-13(15)17)10-18-14-8-4-2-6-12(14)16/h2-9,11H,10,16-17H2,1H3",C15H18N2S2,,,,,,JUNGPRNTMDWRKG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.261,260-807-0,57561-95-2,"Benzhydryl [2R-[1(R*),2a,3a]]-a-(isopropenyl)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate",diphenylmethyl 3-methyl-2-(2-{[(4-methylphenyl)sulfonyl]sulfanyl}-4-oxo-3-[(phenoxyacetyl)amino]azetidin-1-yl)but-3-enoate,CC(=C)C(N1C(SS(=O)(=O)c2ccc(C)cc2)C(NC(=O)COc3ccccc3)C1=O)C(=O)OC(c4ccccc4)c5ccccc5,CC(=C)C(N1C(SS(=O)(=O)c2ccc(C)cc2)C(NC(=O)COc3ccccc3)C1=O)C(=O)OC(c4ccccc4)c5ccccc5,"InChI=1/C36H34N2O7S2/c1-24(2)32(36(41)45-33(26-13-7-4-8-14-26)27-15-9-5-10-16-27)38-34(40)31(37-30(39)23-44-28-17-11-6-12-18-28)35(38)46-47(42,43)29-21-19-25(3)20-22-29/h4-22,31-33,35H,1,23H2,2-3H3,(H,37,39)",C36H34N2O7S2,,,,,,ZZGBMZSDIUZQCL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.263,260-809-1,57562-02-4,"Diphenylmethyl [5S-(5a,6ß,7a)]-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide",diphenylmethyl 3-methoxy-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide,COC1=C(N2C(C(NC(=O)COc3ccccc3)C2=O)S(=O)C1)C(=O)OC(c4ccccc4)c5ccccc5,COC1=C(N2C(C(NC(=O)COc3ccccc3)C2=O)S(=O)C1)C(=O)OC(c4ccccc4)c5ccccc5,"InChI=1/C29H26N2O7S/c1-36-22-18-39(35)28-24(30-23(32)17-37-21-15-9-4-10-16-21)27(33)31(28)25(22)29(34)38-26(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)",C29H26N2O7S,,,,,,QQAYRTHPIWQKCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.266,260-812-8,57564-18-8,"1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-hexyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CCCCCCN1C(=CC(=C(C#N)C1=O)C)O,CCCCCCN1C(=CC(=C(C#N)C1=O)C)O,"InChI=1/C13H18N2O2/c1-3-4-5-6-7-15-12(16)8-10(2)11(9-14)13(15)17/h8,16H,3-7H2,1-2H3",C13H18N2O2,,,,,,NISAUPVCCRMFJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.426,240-085-3,15956-58-8,"2-ethylhexanoic acid, manganese salt",-,[Mn].CCCCC(CC)C(O)=O,[Mn].CCCCC(CC)C(O)=O,"InChI=1/C8H16O2.Mn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2",C8H16O2.xMn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14270,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.426,LUIOCLKGJHSWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.431,240-091-6,15958-43-7,2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamate,2-[(2-cyanoethyl){4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}amino]ethyl butylcarbamate,CCCCNC(=O)OCCN(CCC#N)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,CCCCNC(=O)OCCN(CCC#N)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C23H25N7O4/c1-2-3-12-26-23(31)34-15-14-29(13-4-11-24)20-7-5-19(6-8-20)27-28-22-10-9-21(30(32)33)16-18(22)17-25/h5-10,16H,2-4,12-15H2,1H3,(H,26,31)",C23H25N7O4,,,,,,IYJLCWHPPXDSPO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.437,240-097-9,15961-24-7,3-(trichlorogermyl)propionyl chloride,3-(trichlorogermyl)propanoyl chloride,ClC(=O)CC[Ge](Cl)(Cl)Cl,ClC(=O)CC[Ge](Cl)(Cl)Cl,"InChI=1/C3H4Cl4GeO/c4-3(9)1-2-8(5,6)7/h1-2H2",C3H4Cl4GeO,,,,,,VWHUZNBSDQCMRD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.438,240-098-4,15962-46-6,(±)-(acetamido)phenylacetic acid,acetamido(phenyl)acetic acid,CC(=O)NC(C(=O)O)c1ccccc1,CC(=O)NC(C(=O)O)c1ccccc1,"InChI=1/C10H11NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,11,12)(H,13,14)",C10H11NO3,,,,,,VKDFZMMOLPIWQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.449,240-111-3,15974-34-2,"Bis(diethyldithiocarbamato-S,S')cobalt",cobalt(2+) bis(diethyldithiocarbamate),CCN(CC)C(=S)S[Co]SC(=S)N(CC)CC,CCN(CC)C(=S)S[Co]SC(=S)N(CC)CC,"InChI=1/2C5H11NS2.Co/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2/rC10H20CoN2S4/c1-5-12(6-2)9(14)16-11-17-10(15)13(7-3)8-4/h5-8H2,1-4H3",C10H20CoN2S4,,,,,,APMQGWUYHMFEMM-UHFFFAOYSA-L,,,,,,,,,,,
100.036.455,240-118-1,15983-20-7,Tetrabismuth trisilicate,tetrabismuth trisilicate,[BiH3+3].[BiH3+3].[BiH3+3].[BiH3+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[BiH3+3].[BiH3+3].[BiH3+3].[BiH3+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/4Bi.3O3Si.12H/c;;;;3*1-4(2)3;;;;;;;;;;;;/q4*+3;3*-2;;;;;;;;;;;;/r4BiH3.3O3Si/c;;;;3*1-4(2)3/h4*1H3;;;/q4*+3;3*-2,Bi.3/4H4O4Si,,,,,,PGLFRGXDTGBTDK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.457,240-120-2,15986-32-0,"1,2,3,7,8,9-hexahydro-2,8-dithioxo-6H-purin-6-one","2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one",O=C1NC(=S)NC2=C1NC(=S)N2,O=C1NC(=S)NC2=C1NC(=S)N2,"InChI=1/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",C5H4N4OS2,,,,,,NDSUZZIWNBVBKW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.459,240-122-3,15986-92-2,"2,3-dihydro-5,6-dimethylpyrazine","5,6-dimethyl-2,3-dihydropyrazine",CC1=NCCN=C1C,CC1=NCCN=C1C,"InChI=1/C6H10N2/c1-5-6(2)8-4-3-7-5/h3-4H2,1-2H3",C6H10N2,,,,,,APYDCJBHJXFOTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.470,240-134-9,16000-65-0,"Tetradecane-7,8-diol","tetradecane-7,8-diol",CCCCCCC(O)C(O)CCCCCC,CCCCCCC(O)C(O)CCCCCC,"InChI=1/C14H30O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3",C14H30O2,,,,,,XKZGHFFSJSBUFA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.382,241-136-2,17082-46-1,"3-[(dimethylsilyl)oxy]-1,1,3,5,5-pentamethyltrisiloxane","3-[(dimethylsilyl)oxy]-1,1,3,5,5-pentamethyltrisiloxane",C[SiH](C)O[Si](C)(O[SiH](C)C)O[SiH](C)C,C[SiH](C)O[Si](C)(O[SiH](C)C)O[SiH](C)C,"InChI=1/C7H24O3Si4/c1-11(2)8-14(7,9-12(3)4)10-13(5)6/h11-13H,1-7H3",C7H24O3Si4,,,,,,DYXYFYSDMOOWRX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.384,241-138-3,17082-70-1,4-[2-(trichlorosilyl)ethyl]pyridine,4-[2-(trichlorosilyl)ethyl]pyridine,Cl[Si](Cl)(Cl)CCc1ccncc1,Cl[Si](Cl)(Cl)CCc1ccncc1,"InChI=1/C7H8Cl3NSi/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-2,4-5H,3,6H2",C7H8Cl3NSi,,,,,,NVJJTRUXKICBGN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.397,241-153-5,17090-48-1,"2,2-dichloro-N-(4-chloro-2-nitrophenyl)acetamide","2,2-dichloro-N-(4-chloro-2-nitrophenyl)acetamide",[O-][N+](=O)c1cc(Cl)ccc1NC(=O)C(Cl)Cl,[O-][N+](=O)c1cc(Cl)ccc1NC(=O)C(Cl)Cl,"InChI=1/C8H5Cl3N2O3/c9-4-1-2-5(6(3-4)13(15)16)12-8(14)7(10)11/h1-3,7H,(H,12,14)",C8H5Cl3N2O3,,,,,,QKFACLSIOLLYTR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.401,241-157-7,17091-15-5,"2-oxoglutaric acid, sodium salt",sodium 4-carboxy-4-oxobutanoate,OC(=O)C(=O)CCC(=O)O[Na],OC(=O)C(=O)CCC(=O)O[Na],"InChI=1/C5H6O5.Na/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+1/p-1",C5H6O5.xNa,,,,,,MOTOGHHLNTXPTI-UHFFFAOYSA-M,,,,,,,,,,,
100.037.409,241-166-6,17096-15-0,"1,1'-thiobis(2-naphthol)","1,1'-sulfanediyldi(2-naphthol)",Oc1ccc2ccccc2c1Sc3c(O)ccc4ccccc34,Oc1ccc2ccccc2c1Sc3c(O)ccc4ccccc34,"InChI=1/C20H14O2S/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H",C20H14O2S,,,,,,HGYMQZVPTMKXGI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.251,240-992-4,16926-70-8,"Ethyl 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate","ethyl 4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate",CCOC(=O)c1ccc(cc1)N=NC3C(\\C)=N/N(c2ccccc2)C3=O,CCOC(=O)c1ccc(cc1)N=NC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C19H18N4O3/c1-3-26-19(25)14-9-11-15(12-10-14)20-21-17-13(2)22-23(18(17)24)16-7-5-4-6-8-16/h4-12,17H,3H2,1-2H3",C19H18N4O3,,,,,,JBMWOJWZSMCBJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.252,240-994-5,16926-87-7,2-hydroxy-3-phenoxypropyl methacrylate,2-hydroxy-3-phenoxypropyl methacrylate,CC(=C)C(=O)OCC(O)COc1ccccc1,CC(=C)C(=O)OCC(O)COc1ccccc1,"InChI=1/C13H16O4/c1-10(2)13(15)17-9-11(14)8-16-12-6-4-3-5-7-12/h3-7,11,14H,1,8-9H2,2H3",C13H16O4,,,,,,HFXVXHPSVLHXCC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.253,240-995-0,16930-93-1,"Hexa-2,4-dienyl butyrate","hexa-2,4-dien-1-yl butyrate",CC=CC=CCOC(=O)CCC,CC=CC=CCOC(=O)CCC,"InChI=1/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3",C10H16O2,,,,,,PTJGYWXDEDRLPB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.258,241-000-2,16932-49-3,"2,6-dimethoxybenzonitrile","2,6-dimethoxybenzonitrile",COc1cccc(OC)c1C#N,COc1cccc(OC)c1C#N,"InChI=1/C9H9NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3",C9H9NO2,,,,,,XHAHKSSLDJIEDH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.260,241-002-3,16939-73-4,(E)-hept-2-enyl acetate,hept-2-en-1-yl acetate,CCCC\\C=C\\COC(=O)C,CCCC\C=C\COC(=O)C,"InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3",C9H16O2,,,,,,AWCPMVVOGVEPRC-VOTSOKGWSA-N,,,,,,,,,,,
100.037.272,241-015-4,16947-69-6,"2,4,5-trichlorophenyl chloroformate","2,4,5-trichlorophenyl chlorocarbonate",ClC(=O)Oc1cc(Cl)c(Cl)cc1Cl,ClC(=O)Oc1cc(Cl)c(Cl)cc1Cl,InChI=1/C7H2Cl4O2/c8-3-1-5(10)6(2-4(3)9)13-7(11)12/h1-2H,C7H2Cl4O2,,,,,,ZDCIHNWVXROPMN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.275,241-019-6,16948-17-7,"N-[(tert-butoxy)carbonyl]-L-alanine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-L-alanine - N-cyclohexylcyclohexanamine (1:1),C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C8H15NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(6(10)11)9-7(12)13-8(2,3)4/h11-13H,1-10H2;5H,1-4H3,(H,9,12)(H,10,11)",C12H23N.C8H15NO4,,,,,,KTGJIYLTQWUHFQ-ZSCHJXSPSA-N,,,,,,,,,,,
100.037.278,241-022-2,16949-65-8,Magnesium hexafluorosilicate,magnesium hexafluorosilicate,[Mg+2].F[Si-2](F)(F)(F)(F)F,[Mg+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.Mg/c1-7(2,3,4,5)6;/q-2;+2",F6Si.Mg,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15922,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.278,INWUJAAIUAAHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.284,241-029-0,16958-92-2,Bis(tridecyl) adipate,ditridecyl adipate,CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC,"InChI=1/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-35-31(33)27-23-24-28-32(34)36-30-26-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",C32H62O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12530,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.284,LZJUZSYHFSVIGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.287,241-032-7,16960-49-9,N-[4-(1-oxopropyl)phenyl]acetamide,N-(4-propionylphenyl)acetamide,CCC(=O)c1ccc(NC(=O)C)cc1,CCC(=O)c1ccc(NC(=O)C)cc1,"InChI=1/C11H13NO2/c1-3-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)",C11H13NO2,,,,,,JGCDYYAXNUYBHB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.288,241-033-2,16960-53-5,Diammonium hexachlorostannate,diammonium hexachlorostannate(2-),[NH4+].[NH4+].Cl[Sn-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Sn-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2H3N.Sn/h6*1H;2*1H3;/q;;;;;;;;+4/p-4/rCl6Sn.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",Cl6Sn.2H4N,,,,,,UDMAVAHFQCVSSE-UHFFFAOYSA-J,,,,,,,,,,,
100.037.289,241-034-8,16961-83-4,Hexafluorosilicic acid,hexafluorosilicate,F[Si-2](F)(F)(F)(F)F,F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si/c1-7(2,3,4,5)6/q-2",F6Si.2H,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15071,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.289,OHORFAFFMDIQRR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.090,267-219-3,67827-52-5,"Benzyl 3-[4-(benzyloxy)-3,5-dimethoxyphenyl]-3-oxopropionate","benzyl 3-[4-(benzyloxy)-3,5-dimethoxyphenyl]-3-oxopropanoate",COc1cc(cc(OC)c1OCc2ccccc2)C(=O)CC(=O)OCc3ccccc3,COc1cc(cc(OC)c1OCc2ccccc2)C(=O)CC(=O)OCc3ccccc3,"InChI=1/C25H24O6/c1-28-22-13-20(21(26)15-24(27)30-16-18-9-5-3-6-10-18)14-23(29-2)25(22)31-17-19-11-7-4-8-12-19/h3-14H,15-17H2,1-2H3",C25H24O6,,,,,,MZDVSWNINTYWCE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.094,267-224-0,67827-60-5,"Sodium 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)c5ccccc5,[Na+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)c5ccccc5,"InChI=1/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1",C31H27N3O6S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17624,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.094,OFHDOLUPOLKDSG-UHFFFAOYSA-M,,,,,,,,,,,
100.061.099,267-229-8,67827-65-0,"2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, tetrasodium salt","tetrasodium 5-{[4-chloro-6-({3-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}amino)-1,3,5-triazin-2-yl]amino}-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5cc(Nc4nc(Nc3cc(cc2cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4)ccc5S([O-])(=O)=O)nc(OC(C)C)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5cc(Nc4nc(Nc3cc(cc2cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4)ccc5S([O-])(=O)=O)nc(OC(C)C)n6,"InChI=1/C32H27Cl2N11O14S4.4Na/c1-13(2)59-32-41-28(34)40-31(43-32)36-19-11-16(5-7-21(19)61(50,51)52)35-29-38-27(33)39-30(42-29)37-20-12-17(60(47,48)49)9-15-10-23(63(56,57)58)25(26(46)24(15)20)45-44-18-6-4-14(3)8-22(18)62(53,54)55;;;;/h4-13,46H,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,36,40,41,43)(H2,35,37,38,39,42);;;;/q;4*+1/p-4",C32H27Cl2N11O14S4.4Na,,,,,,PNSMLDDGZOBEEB-UHFFFAOYSA-J,,,,,,,,,,,
100.060.446,266-511-8,66892-34-0,"6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one","6-fluoro-2,3-dihydro-4H-chromen-4-one",Fc1ccc2OCCC(=O)c2c1,Fc1ccc2OCCC(=O)c2c1,"InChI=1/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2",C9H7FO2,,,,,,SWBBIJZMIGAZHW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.449,266-514-4,66901-42-6,Ethyl (E)-2-decen-4-ynoate,ethyl dec-2-en-4-ynoate,CCCCCC#C\\C=C\\C(=O)OCC,CCCCCC#C\C=C\C(=O)OCC,"InChI=1/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-7H2,1-2H3",C12H18O2,,,,,,KWDAVLICMDXFFU-ZHACJKMWSA-N,,,,,,,,,,,
100.060.463,266-530-1,66975-54-0,"Diethyl [[[3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]amino]methylene]malonate","diethyl ({[3-(7-oxo-4,7-dihydro-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]amino}methylene)malonate",CCCOc1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1C2=NC(=O)c3[nH]nnc3N2,CCCOc1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1C2=NC(=O)c3[nH]nnc3N2,"InChI=1/C21H24N6O6/c1-4-9-33-15-8-7-12(22-11-14(20(29)31-5-2)21(30)32-6-3)10-13(15)17-23-18-16(19(28)24-17)25-27-26-18/h7-8,10-11,22H,4-6,9H2,1-3H3,(H2,23,24,25,26,27,28)",C21H24N6O6,,,,,,ITGFXWLYTIYANG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.498,261-067-1,57989-90-9,Ethylguanidinium sulphate,bis(N-carbamimidoylethanaminium) sulfate,CC[NH2+]C(=N)N.CC[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],CC[NH2+]C(=N)N.CC[NH2+]C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2C3H9N3.H2O4S/c2*1-2-6-3(4)5;1-5(2,3)4/h2*2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)",C3H9N3.xH2O4S,,,,,,UKQVDMIAGTYDFN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.125,262-857-9,61578-04-9,"[[4-(a,a-dimethylbenzyl)phenoxy]methyl]oxirane",2-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}oxirane,CC(C)(c1ccccc1)c2ccc(OCC3CO3)cc2,CC(C)(c1ccccc1)c2ccc(OCC3CO3)cc2,"InChI=1/C18H20O2/c1-18(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-12-17-13-20-17/h3-11,17H,12-13H2,1-2H3",C18H20O2,,,,,,MHTUIBIYJWEQKA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.131,262-864-7,61597-37-3,"4-methoxy-a,a-dimethylcyclohexa-1,4-diene-1-methanol","2-(4-methoxycyclohexa-1,4-dien-1-yl)propan-2-ol",COC1=CCC(=CC1)C(C)(C)O,COC1=CCC(=CC1)C(C)(C)O,"InChI=1/C10H16O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4,7,11H,5-6H2,1-3H3",C10H16O2,,,,,,XMKIECVHJJJPDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.135,262-868-9,61607-68-9,"1-[2-(dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione","1-[2-(dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione",CN(C)CCN1NN=NC1=S,CN(C)CCN1NN=NC1=S,"InChI=1/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11)",C5H11N5S,,,,,,ODDAWJGQWOGBCX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.137,262-871-5,61614-51-5,N-butyl-2-ethylhexylamine,N-butyl-2-ethylhexan-1-amine,CCCCNCC(CC)CCCC,CCCCNCC(CC)CCCC,"InChI=1/C12H27N/c1-4-7-9-12(6-3)11-13-10-8-5-2/h12-13H,4-11H2,1-3H3",C12H27N,,,,,,WNTBDUYEISRPNS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.140,262-874-1,61618-92-6,"6a,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-hexanoate","6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate",CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C28H38F2O5/c1-5-6-7-8-24(34)35-15-22(32)25-16(2)11-18-19-13-21(29)20-12-17(31)9-10-27(20,4)28(19,30)23(33)14-26(18,25)3/h9-10,12,16,18-19,21,23,25,33H,5-8,11,13-15H2,1-4H3",C28H38F2O5,,,,,,OZZXICRREQZMOQ-ANHDKODLSA-N,,,,,,,,,,,
100.038.845,242-746-1,19010-26-5,"[1,1'-biphenyl]-3,3',4,4'-tetramine hydrochloride","biphenyl-3,3',4,4'-tetramine hydrochloride",Cl.Nc1ccc(cc1N)c2ccc(N)c(N)c2,Cl.Nc1ccc(cc1N)c2ccc(N)c(N)c2,"InChI=1/C12H14N4.ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;/h1-6H,13-16H2;1H",C12H14N4.xClH,,,,,,KVFGMHZJTRXVMN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.846,242-747-7,19010-65-2,Cadmium bis(dipentyldithiocarbamate),cadmium bis(dipentyldithiocarbamate),[Cd+2].CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-],[Cd+2].CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-],"InChI=1/2C11H23NS2.Cd/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,13,14);/q;;+2/p-2",C22H44CdN2S4,,,,,,GAQHRUGINNUYSO-UHFFFAOYSA-L,,,,,,,,,,,
100.038.851,242-752-4,19013-11-7,4-methyl-3-nitrobenzamide,4-methyl-3-nitrobenzamide,Cc1ccc(cc1[N+](=O)[O-])C(=O)N,Cc1ccc(cc1[N+](=O)[O-])C(=O)N,"InChI=1/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11)",C8H8N2O3,,,,,,YEUGEQUFPMJGCD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.855,242-757-1,19019-04-6,"2-methoxy-3,5-dinitrobenzonitrile","2-methoxy-3,5-dinitrobenzonitrile",COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C#N,COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C#N,"InChI=1/C8H5N3O5/c1-16-8-5(4-9)2-6(10(12)13)3-7(8)11(14)15/h2-3H,1H3",C8H5N3O5,,,,,,BKJAXBDANXXYKI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.856,242-758-7,19019-45-5,"N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bishexadecan-1-amide","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]dihexadecanamide",CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCC,"InChI=1/C38H78N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(43)41-35-33-39-31-32-40-34-36-42-38(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-36H2,1-2H3,(H,41,43)(H,42,44)",C38H78N4O2,,,,,,FFGPUOLFAAHGHS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.860,242-762-9,19026-73-4,"Tricyclo[3.3.1.13,7]decan-1-acetamide",2-adamantan-1-ylacetamide,NC(=O)CC12CC3CC(CC(C3)C1)C2,NC(=O)CC12CC3CC(CC(C3)C1)C2,"InChI=1/C12H19NO/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H2,13,14)",C12H19NO,,,,,,BWHDTKLVHSIHSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.861,242-763-4,19028-32-1,Thiophosphonic acid,"phosphonothioic O,S-acid",OP(=O)S,OP(=O)S,"InChI=1/H3O2PS/c1-3(2)4/h3H,(H2,1,2,4)",H3O2PS,,,,,,FUWGSUOSJRCEIV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.867,242-770-2,19037-72-0,"4,4-dimethylcyclopentene","4,4-dimethylcyclopentene",CC1(C)CC=CC1,CC1(C)CC=CC1,"InChI=1/C7H12/c1-7(2)5-3-4-6-7/h3-4H,5-6H2,1-2H3",C7H12,,,,,,LKXAUCPURVBMRN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.869,242-772-3,19039-41-9,"7,9-dihydro-7,9-dimethyl-1H-purine-2,6,8(3H)-trione","7,9-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)N(C)C2=C1NC(=O)NC2=O,CN1C(=O)N(C)C2=C1NC(=O)NC2=O,"InChI=1/C7H8N4O3/c1-10-3-4(11(2)7(10)14)8-6(13)9-5(3)12/h1-2H3,(H2,8,9,12,13)",C7H8N4O3,,,,,,ZWFQLYWQCGUUNB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.458,239-020-1,14941-08-3,"(S)-7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one","5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside",COc1ccc(cc1)C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)cc3O2,COc1ccc(cc1)C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)cc3O2,"InChI=1/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3",C28H34O14,,,,,,NLAWPKPYBMEWIR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.459,239-021-7,14945-15-4,Praseodymium triiodate,praseodymium triiodate,[Pr+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,[Pr+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/3HIO3.Pr/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",HIO3.1/3Pr,,,,,,CIFGBMZYGQOOKC-UHFFFAOYSA-K,,,,,,,,,,,
100.035.460,239-022-2,14947-53-6,"2,2'-(ethylene)di-1,3-dithiane","2,2'-ethane-1,2-diylbis(1,3-dithiane)",C(CC1SCCCS1)C2SCCCS2,C(CC1SCCCS1)C2SCCCS2,"InChI=1/C10H18S4/c1-5-11-9(12-6-1)3-4-10-13-7-2-8-14-10/h9-10H,1-8H2",C10H18S4,,,,,,RVIPSMFHRZBJRI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.468,239-031-1,14959-86-5,(Z)-dodec-7-enyl acetate,dodec-7-en-1-yl acetate,CCCC\\C=C/CCCCCCOC(=O)C,CCCC\C=C/CCCCCCOC(=O)C,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3",C14H26O2,,,,,,MUZGQHWTRUVFLG-SREVYHEPSA-N,,,,,,,,,,,
100.035.478,239-042-1,14970-38-8,6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triazen-1-yl]benzothiazolium chloride,"6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triaz-1-en-1-yl]-1,3-benzothiazol-3-ium chloride",[Cl-].[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(ccc2[n+]3C)OC,[Cl-].[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C16H16N5O3S.ClH/c1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;/h4-10H,1-3H3;1H/q+1;/p-1",C16H16N5O3S.Cl,,,,,,ULJTXYUETZXPSS-UHFFFAOYSA-M,,,,,,,,,,,
100.055.083,260-609-4,57195-23-0,Dilithium dodecenylsuccinate,dilithium 2-dodec-1-en-1-ylsuccinate,[Li+].[Li+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O,[Li+].[Li+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O,"InChI=1/C16H28O4.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;;/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2",C16H28O4.2Li,,,,,,VBCCNQNWGQWHKK-UHFFFAOYSA-L,,,,,,,,,,,
100.055.084,260-611-5,57195-26-3,Disodium dodecenylsuccinate,disodium 2-dodec-1-en-1-ylsuccinate,[Na+].[Na+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O,[Na+].[Na+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O,"InChI=1/C16H28O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;;/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2",C16H28O4.2Na,,,,,,UOBFGRVCPMFAPP-UHFFFAOYSA-L,,,,,,,,,,,
100.055.085,260-612-0,57195-28-5,Dipotassium dodecenylsuccinate,dipotassium 2-dodec-1-en-1-ylsuccinate,[K+].[K+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O,[K+].[K+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O,"InChI=1/C16H28O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;;/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2",C16H28O4.2K,,,,,,SSTYWPTVKANJHN-UHFFFAOYSA-L,,,,,,,,,,,
100.055.087,260-614-1,57199-00-5,"2,4,6-triisopropylbenzoyl chloride","2,4,6-triisopropylbenzoyl chloride",CC(C)c1cc(C(C)C)c(C(=O)Cl)c(c1)C(C)C,CC(C)c1cc(C(C)C)c(C(=O)Cl)c(c1)C(C)C,"InChI=1/C16H23ClO/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3",C16H23ClO,,,,,,OSKNTKJPGKHDHV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.088,260-615-7,57206-57-2,Bismuth(3+) gallate,"bismuth(3+) tris(3,4,5-trihydroxybenzoate)",[BiH3+3].Oc1cc(cc(O)c1O)C(=O)[O-].Oc2cc(cc(O)c2O)C(=O)[O-].Oc3cc(cc(O)c3O)C(=O)[O-],[BiH3+3].Oc1cc(cc(O)c1O)C(=O)[O-].Oc2cc(cc(O)c2O)C(=O)[O-].Oc3cc(cc(O)c3O)C(=O)[O-],"InChI=1/3C7H6O5.Bi.3H/c3*8-4-1-3(7(11)12)2-5(9)6(4)10;;;;/h3*1-2,8-10H,(H,11,12);;;;/q;;;+3;;;/p-3/r3C7H6O5.BiH3/c3*8-4-1-3(7(11)12)2-5(9)6(4)10;/h3*1-2,8-10H,(H,11,12);1H3/q;;;+3/p-3",C7H6O5.1/3Bi,,,,,,XCBQHKQWHORJJJ-UHFFFAOYSA-K,,,,,,,,,,,
100.055.089,260-616-2,57206-81-2,Sodium bis[1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-),sodium [1-{[2-(hydroxy-kappaO)-5-nitrophenyl]diazenyl}-2-naphtholato(2-)-kappaO]{1-[(2-hydroxy-5-nitrophenyl)diazenyl]-2-naphtholato(2-)-kappaO}chromate(1-),[Na]Oc1ccc(cc1N=Nc2c(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)N(=O)=O)ccc7ccccc27)N(=O)=O,[Na]Oc1ccc(cc1N=Nc2c(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)N(=O)=O)ccc7ccccc27)N(=O)=O,"InChI=1/2C16H11N3O4.Cr.Na/c2*20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;+3;+1/p-4/rC32H19CrN6O8.Na/c40-27-13-11-21(38(41)42)17-25(27)34-36-31-23-7-3-1-5-19(23)9-14-29(31)46-33-45-28-16-12-22(39(43)44)18-26(28)35-37-32-24-8-4-2-6-20(24)10-15-30(32)47-33;/h1-18,40H;/q;+1/p-1",C32H18CrN6O8.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13094,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.089,MRNWMCMUBTXAIQ-UHFFFAOYSA-J,,,,,,,,,,,
100.055.092,260-619-9,57206-92-5,2-[(4-methyl-2-nitrophenyl)azo]-3-oxo-N-(p-tolyl)butyramide,2-[(4-methyl-2-nitrophenyl)diazenyl]-N-(4-methylphenyl)-3-oxobutanamide,Cc1ccc(cc1)NC(=O)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C(C)=O,Cc1ccc(cc1)NC(=O)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C(C)=O,"InChI=1/C18H18N4O4/c1-11-4-7-14(8-5-11)19-18(24)17(13(3)23)21-20-15-9-6-12(2)10-16(15)22(25)26/h4-10,17H,1-3H3,(H,19,24)",C18H18N4O4,,,,,,HGJWARUBRHEKRD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.102,260-630-9,57216-65-6,"Sodium dimethyl 3,3'-[iminobis(sulphonyl)]bisbenzoate",-,[Na+].COC(=O)c1cccc(c1)S(=O)(=O)NS(=O)(=O)c2cccc(c2)C(=O)OC,[Na+].COC(=O)c1cccc(c1)S(=O)(=O)NS(=O)(=O)c2cccc(c2)C(=O)OC,"InChI=1/C16H15NO8S2.Na/c1-24-15(18)11-5-3-7-13(9-11)26(20,21)17-27(22,23)14-8-4-6-12(10-14)16(19)25-2;/h3-10,17H,1-2H3;/q;+1",C16H15NO8S2.Na,,,,,,GTAQYXJTEZIISC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.112,260-641-9,57233-79-1,"Hexadecyl [4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]carbamate","hexadecyl (4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)carbamate",CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,"InChI=1/C32H42Cl4N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-43-32(42)37-24-16-17-25(34)28(21-24)38-29-22-30(41)40(39-29)31-26(35)19-23(33)20-27(31)36/h16-17,19-21H,2-15,18,22H2,1H3,(H,37,42)(H,38,39)",C32H42Cl4N4O3,,,,,,NBLZYZCFWBIZBH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.115,260-645-0,57246-60-3,4-butyl-5-methylthiazole,"4-butyl-5-methyl-1,3-thiazole",CCCCc1ncsc1C,CCCCc1ncsc1C,"InChI=1/C8H13NS/c1-3-4-5-8-7(2)10-6-9-8/h6H,3-5H2,1-2H3",C8H13NS,,,,,,FOBITDGBIATDTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.415,236-772-2,13478-09-6,Dicobalt tris(sulphate),dicobalt tris(sulphate),[Co+2].[Co+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Co+2].[Co+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Co.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+2;;;/p-6",Co.3/2H2O4S,,,,,,ZUKPCOVBZYHAEO-UHFFFAOYSA-H,,,,,,,,,,,
100.033.423,236-781-1,13478-63-2,4-butylanilinium chloride,4-butylanilinium chloride,[Cl-].CCCCc1ccc([NH3+])cc1,[Cl-].CCCCc1ccc([NH3+])cc1,"InChI=1/C10H15N.ClH/c1-2-3-4-9-5-7-10(11)8-6-9;/h5-8H,2-4,11H2,1H3;1H",C10H15N.ClH,,,,,,KGVOSBWDKAXACO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.426,236-784-8,13481-09-9,Tetrahydro-2-(p-tolyloxy)-2H-pyran,2-(4-methylphenoxy)tetrahydro-2H-pyran,Cc1ccc(OC2CCCCO2)cc1,Cc1ccc(OC2CCCCO2)cc1,"InChI=1/C12H16O2/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h5-8,12H,2-4,9H2,1H3",C12H16O2,,,,,,CLBYZOIXSNMRNV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.291,241-036-9,16962-40-6,Ammonium hexafluorotitanate,diammonium hexafluorotitanate(2-),[NH4+].[NH4+].F[Ti-2](F)(F)(F)(F)F,[NH4+].[NH4+].F[Ti-2](F)(F)(F)(F)F,"InChI=1/6FH.2H3N.Ti/h6*1H;2*1H3;/q;;;;;;;;+4/p-4/rF6Ti.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",F6Ti.2H4N,,,,,,NMGYKLMMQCTUGI-UHFFFAOYSA-J,,,,,,,,,,,
100.054.488,259-956-4,56046-61-8,N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide dihydrogen phosphate,N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide phosphate,CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1.OP(=O)(O)O,CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1.OP(=O)(O)O,"InChI=1/C12H21N3O2S.H3O4P/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;1-5(2,3)4/h5-6,9,14H,4,7-8,13H2,1-3H3;(H3,1,2,3,4)",C12H21N3O2S.H3O4P,,,,,,VVJXMKISHKLVFK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.489,259-958-5,56046-62-9,N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulphonamide,N-{2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl}methanesulfonamide,CCN(CCNS(=O)(=O)C)c1ccc(N=O)c(C)c1,CCN(CCNS(=O)(=O)C)c1ccc(N=O)c(C)c1,"InChI=1/C12H19N3O3S/c1-4-15(8-7-13-19(3,17)18)11-5-6-12(14-16)10(2)9-11/h5-6,9,13H,4,7-8H2,1-3H3",C12H19N3O3S,,,,,,XWQURWIJAIIPQP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.491,259-960-6,56046-85-6,"3,6-dichloro-9-(2-sulphonatophenyl)xanthylium","2-(3,6-dichloroxanthenium-9-yl)benzenesulfonate",[O-]S(=O)(=O)c1ccccc1c2c3ccc(Cl)cc3[o+]c4cc(Cl)ccc24,[O-]S(=O)(=O)c1ccccc1c2c3ccc(Cl)cc3[o+]c4cc(Cl)ccc24,"InChI=1/C19H10Cl2O4S/c20-11-5-7-13-16(9-11)25-17-10-12(21)6-8-14(17)19(13)15-3-1-2-4-18(15)26(22,23)24/h1-10H",C19H10Cl2O4S,,,,,,IMJDRXFXXHAZNX-UHFFFAOYSA-M,,,,,,,,,,,
100.054.499,259-969-5,56052-53-0,3-(2-hydroxyphenyl)-1-phenylpropan-1-one,3-(2-hydroxyphenyl)-1-phenylpropan-1-one,Oc1ccccc1CCC(=O)c2ccccc2,Oc1ccccc1CCC(=O)c2ccccc2,"InChI=1/C15H14O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-9,16H,10-11H2",C15H14O2,,,,,,QYBJSUYYMXLWIU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.625,260-107-5,56315-67-4,"4,5,6,7-tetrabromo-1,3-dihydro-1,3-bis(2-hydroxyethyl)-2H-benzimidazol-2-one","4,5,6,7-tetrabromo-1,3-bis(2-hydroxyethyl)-1,3-dihydro-2H-benzimidazol-2-one",OCCN1C(=O)N(CCO)c2c(Br)c(Br)c(Br)c(Br)c12,OCCN1C(=O)N(CCO)c2c(Br)c(Br)c(Br)c(Br)c12,"InChI=1/C11H10Br4N2O3/c12-5-6(13)8(15)10-9(7(5)14)16(1-3-18)11(20)17(10)2-4-19/h18-19H,1-4H2",C11H10Br4N2O3,,,,,,WKQKLCTYZKFNTG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.626,260-108-0,56317-51-2,"3-amino-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid","3-amino-4-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3cc(c2N)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3cc(c2N)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H17N3O12S4/c19-17-16(36(27,28)29)10-11-9-14(35(24,25)26)5-6-15(11)18(17)21-20-12-1-3-13(4-2-12)34(22,23)8-7-33-37(30,31)32/h1-6,9-10H,7-8,19H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)",C18H17N3O12S4,,,,,,JWBAKTMKKFYQDB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.628,260-110-1,56323-20-7,"1,1,4,4-tetramethylbutane-1,4-diyl diacetate","2,5-dimethylhexane-2,5-diyl diacetate",CC(=O)OC(C)(C)CCC(C)(C)OC(=O)C,CC(=O)OC(C)(C)CCC(C)(C)OC(=O)C,"InChI=1/C12H22O4/c1-9(13)15-11(3,4)7-8-12(5,6)16-10(2)14/h7-8H2,1-6H3",C12H22O4,,,,,,JLERQYVUVOLBLH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.633,260-115-9,56330-12-2,"Sodium 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,4-dihydro-4-oxoquinazoline-6-sulphonate","sodium 2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-4-oxo-1,4-dihydroquinazoline-6-sulfonate",[Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C3=NC(=O)c4cc(ccc4N3)S(=O)(=O)[O-],[Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C3=NC(=O)c4cc(ccc4N3)S(=O)(=O)[O-],"InChI=1/C21H19N3O6S.Na/c1-3-24(4-2)13-6-5-12-9-16(21(26)30-18(12)10-13)19-22-17-8-7-14(31(27,28)29)11-15(17)20(25)23-19;/h5-11H,3-4H2,1-2H3,(H,22,23,25)(H,27,28,29);/q;+1/p-1",C21H19N3O6S.Na,,,,,,XTPVIFSXAHUCQF-UHFFFAOYSA-M,,,,,,,,,,,
100.054.634,260-116-4,56330-88-2,"[6-[[3-chloro-4-(methylamino)phenyl]imino]-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]urea","1-(6-{[3-chloro-4-(methylamino)phenyl]imino}-4-methyl-3-oxocyclohexa-1,4-dien-1-yl)urea",C\\C2=C\\C(=Nc1ccc(NC)c(Cl)c1)C(=C/C2=O)\\NC(N)=O,C\C2=C\C(=Nc1ccc(NC)c(Cl)c1)C(=C/C2=O)\NC(N)=O,"InChI=1/C15H15ClN4O2/c1-8-5-12(13(7-14(8)21)20-15(17)22)19-9-3-4-11(18-2)10(16)6-9/h3-7,18H,1-2H3,(H3,17,20,22)",C15H15ClN4O2,,,,,,WGLVXBPQHZHCAS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.636,260-119-0,56338-00-2,"4,5-dibromo-2-phenyl-1H-imidazole","4,5-dibromo-2-phenyl-1H-imidazole",Brc1nc([nH]c1Br)c2ccccc2,Brc1nc([nH]c1Br)c2ccccc2,"InChI=1/C9H6Br2N2/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)",C9H6Br2N2,,,,,,VOBXKUYQZPXWPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.900,238-407-2,14434-35-6,"DL-aspartic acid, potassium salt",potassium 2-amino-3-carboxypropanoate,[K+].N[C@@H](CC(=O)O)C(=O)[O-],[K+].N[C@@H](CC(=O)O)C(=O)[O-],"InChI=1/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1",C4H7NO4.xK,,,,,,TXXVQZSTAVIHFD-DKWTVANSSA-M,,,,,,,,,,,
100.034.903,238-410-9,14436-32-9,9-decenoic acid,dec-9-enoic acid,OC(=O)CCCCCCCC=C,OC(=O)CCCCCCCC=C,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)",C10H18O2,,,,,,KHAVLLBUVKBTBG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.145,262-879-9,61635-55-0,Diisopropyl dodecanedioate,diisopropyl dodecanedioate,CC(C)OC(=O)CCCCCCCCCCC(=O)OC(C)C,CC(C)OC(=O)CCCCCCCCCCC(=O)OC(C)C,"InChI=1/C18H34O4/c1-15(2)21-17(19)13-11-9-7-5-6-8-10-12-14-18(20)22-16(3)4/h15-16H,5-14H2,1-4H3",C18H34O4,,,,,,VDAKTNSFAPXQKN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.148,262-883-0,61655-58-1,2-chloro-6-(1-piperazinyl)pyrazine monohydrochloride,2-chloro-6-piperazin-1-ylpyrazine hydrochloride,Cl.Clc1cncc(n1)N2CCNCC2,Cl.Clc1cncc(n1)N2CCNCC2,"InChI=1/C8H11ClN4.ClH/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13;/h5-6,10H,1-4H2;1H",C8H11ClN4.ClH,,,,,,PFIZGLUIYAZQFU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.157,262-893-5,61681-02-5,Potassium 4-oxo-2-thioxothiazolidin-3-ethanesulphonate,"potassium 2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)ethanesulfonate",[K+].[O-]S(=O)(=O)CCN1C(=O)CSC1=S,[K+].[O-]S(=O)(=O)CCN1C(=O)CSC1=S,"InChI=1/C5H7NO4S3.K/c7-4-3-12-5(11)6(4)1-2-13(8,9)10;/h1-3H2,(H,8,9,10);/q;+1/p-1",C5H7NO4S3.K,,,,,,VPACZHHWMBGFHC-UHFFFAOYSA-M,,,,,,,,,,,
100.059.035,264-958-3,64601-13-4,"Octanoic acid, compound with 2-(isopropylamino)ethanol (1:1)",octanoic acid - 2-(isopropylamino)ethanol (1:1),CCCCCCCC(=O)O.CC(C)NCCO,CCCCCCCC(=O)O.CC(C)NCCO,"InChI=1/C8H16O2.C5H13NO/c1-2-3-4-5-6-7-8(9)10;1-5(2)6-3-4-7/h2-7H2,1H3,(H,9,10);5-7H,3-4H2,1-2H3",C8H16O2.C5H13NO,,,,,,CLUKHARRSZKCCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.040,264-964-6,64608-94-2,"Lauric acid, compound with 1,1'-iminodipropan-2-ol (1:1)","dodecanoic acid - 1,1'-iminodipropan-2-ol (1:1)",CCCCCCCCCCCC(=O)O.CC(O)CNCC(C)O,CCCCCCCCCCCC(=O)O.CC(O)CNCC(C)O,"InChI=1/C12H24O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-5(8)3-7-4-6(2)9/h2-11H2,1H3,(H,13,14);5-9H,3-4H2,1-2H3",C12H24O2.C6H15NO2,,,,,,AQRSPWILOBRRGP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.046,264-970-9,64611-91-2,3-(diethylamino)-7-[(o-tolyl)amino]phenoxazin-5-ium tetrachlorozincate (2:1),bis{3-(diethylamino)-7-[(2-methylphenyl)amino]phenoxazin-5-ium} tetrachlorozincate(2-),CCN(CC)c1ccc2nc3ccc(Nc4ccccc4C)cc3[o+]c2c1.CCN(CC)c5ccc6nc7ccc(Nc8ccccc8C)cc7[o+]c6c5.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc2nc3ccc(Nc4ccccc4C)cc3[o+]c2c1.CCN(CC)c5ccc6nc7ccc(Nc8ccccc8C)cc7[o+]c6c5.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C23H24N3O.4ClH.Zn/c2*1-4-26(5-2)18-11-13-21-23(15-18)27-22-14-17(10-12-20(22)25-21)24-19-9-7-6-8-16(19)3;;;;;/h2*6-15,24H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C23H24N3O.Cl4Zn/c2*1-4-26(5-2)18-11-13-21-23(15-18)27-22-14-17(10-12-20(22)25-21)24-19-9-7-6-8-16(19)3;1-5(2,3)4/h2*6-15,24H,4-5H2,1-3H3;/q2*+1;-2",C23H24N3O.1/2Cl4Zn,,,,,,UKLJZMOFSAXODO-UHFFFAOYSA-J,,,,,,,,,,,
100.059.047,264-971-4,64611-92-3,"N-(2,4-dimethoxyphenyl)-3-oxo-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]azo]butyramide","N-(2,4-dimethoxyphenyl)-3-oxo-2-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]diazenyl}butanamide",COc4ccc(NC(=O)C(N=Nc3ccccc3c1nc(no1)c2ccccc2)C(C)=O)c(OC)c4,COc4ccc(NC(=O)C(N=Nc3ccccc3c1nc(no1)c2ccccc2)C(C)=O)c(OC)c4,"InChI=1/C26H23N5O5/c1-16(32)23(25(33)27-21-14-13-18(34-2)15-22(21)35-3)30-29-20-12-8-7-11-19(20)26-28-24(31-36-26)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H,27,33)",C26H23N5O5,,,,,,VJLXPIHJIADFRF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.055,264-980-3,64628-44-0,2-chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]benzamide,2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide,FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1,FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1,"InChI=1/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)",C15H10ClF3N2O3,,,,,,XAIPTRIXGHTTNT-UHFFFAOYSA-N,Positive/Negative,EQ311801|EQ311802|EQ311803|EQ311804|EQ311805|EQ311806,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,156.0211:359.0403:138.9944|156.0211:138.9945:178.0474|138.9945:156.0211:113.0152|138.9946:156.021:113.0152|138.9948:156.021:129.0101|138.9949:139.0048:129.0101,Eawag,EQ311851|EQ311852|EQ311853|EQ311854|EQ311855|EQ311856,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,154.0065:176.0327:314.0201|154.0065:176.0327:84.9906|84.9907:176.0327:110.0412|84.9907:176.0328:110.0412|84.9907:110.0412:176.0328|84.9907:110.0412:68.9958,Eawag
100.059.059,264-985-0,64641-84-5,4-(1-methyl-1-phenylethyl)phenyl benzoate,4-(1-methyl-1-phenylethyl)phenyl benzoate,CC(C)(c1ccccc1)c2ccc(OC(=O)c3ccccc3)cc2,CC(C)(c1ccccc1)c2ccc(OC(=O)c3ccccc3)cc2,"InChI=1/C22H20O2/c1-22(2,18-11-7-4-8-12-18)19-13-15-20(16-14-19)24-21(23)17-9-5-3-6-10-17/h3-16H,1-2H3",C22H20O2,,,,,,IKYNDBQJTHKDIL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.068,264-995-5,64653-59-4,2-ethyl-N-(2-ethylphenyl)aniline,2-ethyl-N-(2-ethylphenyl)aniline,CCc1ccccc1Nc2ccccc2CC,CCc1ccccc1Nc2ccccc2CC,"InChI=1/C16H19N/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h5-12,17H,3-4H2,1-2H3",C16H19N,,,,,,RZFNPHWOOGJMQE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.100,267-230-3,67827-66-1,"3,7-diamino-2-methoxyphenoxazin-5-ium chloride","3,7-diamino-2-methoxyphenoxazin-5-ium chloride",[Cl-].COc1cc2nc3ccc(N)cc3[o+]c2cc1N,[Cl-].COc1cc2nc3ccc(N)cc3[o+]c2cc1N,"InChI=1/C13H12N3O2.ClH/c1-17-11-6-10-13(5-8(11)15)18-12-4-7(14)2-3-9(12)16-10;/h2-6H,14-15H2,1H3;1H/q+1;/p-1",C13H12N3O2.Cl,,,,,,SDJJSUWECZPOGV-UHFFFAOYSA-M,,,,,,,,,,,
100.061.101,267-231-9,67827-67-2,"Disodium 3-[[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulphonatophenyl]azo]-7-[(2,3-dibromo-1-oxopropyl)methylamino]-4-hydroxynaphthalene-2-sulphonate","disodium 7-[(3,4-dibromo-2-oxobutyl)amino]-3-({5-[(2,3-dibromopropanoyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].BrC(CBr)C(=O)Nc3cc(N=Nc2c(cc1cc(ccc1c2O)NCC(=O)C(Br)CBr)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,[Na+].[Na+].BrC(CBr)C(=O)Nc3cc(N=Nc2c(cc1cc(ccc1c2O)NCC(=O)C(Br)CBr)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,"InChI=1/C23H20Br4N4O9S2.2Na/c24-8-15(26)18(32)10-28-12-1-3-14-11(5-12)6-20(42(38,39)40)21(22(14)33)31-30-17-7-13(29-23(34)16(27)9-25)2-4-19(17)41(35,36)37;;/h1-7,15-16,28,33H,8-10H2,(H,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C23H20Br4N4O9S2.2Na,,,,,,ZWWKJCHTKMXPTP-UHFFFAOYSA-L,,,,,,,,,,,
100.035.479,239-043-7,14970-39-9,"5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium trichlorozincate(1-)","5-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium trichlorozincate(1-)",CN2/C=N\\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.Cl[Zn-](Cl)Cl,CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.Cl[Zn-](Cl)Cl,"InChI=1/C14H22N6.3ClH.Zn/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;;;;/h7-11,14H,5-6H2,1-4H3;3*1H;/q;;;;+2/p-2/rC14H22N6.Cl3Zn/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-4(2)3/h7-11,14H,5-6H2,1-4H3;/q;-1/p+1",C14H21N6.Cl3Zn,,,,,,DYHMUMNVFYZYPX-UHFFFAOYSA-L,,,,,,,,,,,
100.035.481,239-045-8,14971-02-9,Bis(diacetoxymethyl)ethylenesilane,"ethane-1,2-diylbis-methylsilanetriyl tetraacetate",CC(=O)O[Si](C)(CC[Si](C)(OC(=O)C)OC(=O)C)OC(=O)C,CC(=O)O[Si](C)(CC[Si](C)(OC(=O)C)OC(=O)C)OC(=O)C,"InChI=1/C12H22O8Si2/c1-9(13)17-21(5,18-10(2)14)7-8-22(6,19-11(3)15)20-12(4)16/h7-8H2,1-6H3",C12H22O8Si2,,,,,,SQLHPRGDFJYNSR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.482,239-046-3,14971-14-3,Octadecyl salicylate,octadecyl salicylate,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1O,"InChI=1/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26/h17-18,20-21,26H,2-16,19,22H2,1H3",C25H42O3,,,,,,OZAVCEALUDNEKN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.489,239-054-7,14974-55-1,Tin dilaurate,-,[Sn+4].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Sn+4].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/2C12H24O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+4/p-2",C12H24O2.1/2Sn,,,,,,PNJNBBGGBVXSTA-UHFFFAOYSA-L,,,,,,,,,,,
100.035.495,239-061-5,14982-50-4,Galacturonic acid,D-galacturonic acid,O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O,O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O,"InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)",C6H10O7,,,,,,IAJILQKETJEXLJ-RSJOWCBRSA-N,,,,,,,,,,,
100.031.787,234-979-2,12048-27-0,"Bismuth, compound with lithium (1:1)",-,[LiH].[Bi],[LiH].[Bi],InChI=1/Bi.Li.H/q+3;+1;/rBi.HLi/h;1H/q+3;+1,Bi.Li,,,,,,RDUXKZOGBONGMM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.800,234-993-9,12052-42-5,"Antimony, compound with cobalt (1:1)",-,[Co].[Sb],[Co].[Sb],InChI=1/Co.Sb/q+2;+3,Co.Sb,,,,,,UFIKNOKSPUOOCL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.804,234-998-6,12053-12-2,"Antimony, compound with chromium (1:1)",-,[Sb].[Cr],[Sb].[Cr],InChI=1/Cr.Sb/q+2;+3,Cr.Sb,,,,,,KECAIQNCFZTEBM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.815,235-010-6,12054-65-8,Terbium trihydroxide,terbium(3+) trihydroxide,[OH-].[OH-].[OH-].[Tb+3],[OH-].[OH-].[OH-].[Tb+3],InChI=1/3H2O.Tb/h3*1H2;/q;;;+3/p-3,H3O3Tb,,,,,,HGBHINYCUZBWCK-UHFFFAOYSA-K,,,,,,,,,,,
100.032.072,235-293-6,12160-12-2,"Iron, compound with zirconium (1:2)",iron - zirconium (1:2),[Fe].[Zr].[Zr],[Fe].[Zr].[Zr],InChI=1/Fe.2Zr/q3*+2,Fe.Zr,,,,,,HZGFMPXURINDAW-UHFFFAOYSA-N,,,,,,,,,,,
100.032.099,235-322-2,12166-36-8,"Antimony, compound with scandium (1:1)",-,[Sc].[Sb],[Sc].[Sb],InChI=1/Sb.Sc/q2*+3,Sb.Sc,,,,,,FGBDHWCTPQKBDF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.872,242-776-5,19044-06-5,"(3ß,24<U+03BE>)-stigmast-5-en-3-ol",stigmast-5-en-3-ol,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3",C29H50O,,,,,,KZJWDPNRJALLNS-UHFFFAOYSA-N,,,,,,,,,,,
100.039.003,242-920-7,19250-17-0,"6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid","6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid",CC1(C)C2CC=C(C1C2)C(=O)O,CC1(C)C2CC=C(C1C2)C(=O)O,"InChI=1/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)",C10H14O2,,,,,,XPHVDOXZJRTIMV-UHFFFAOYSA-N,,,,,,,,,,,
100.039.005,242-922-8,19256-31-6,"1,1-diethoxy-3-phenylacetone","1,1-diethoxy-3-phenylacetone",CCOC(OCC)C(=O)Cc1ccccc1,CCOC(OCC)C(=O)Cc1ccccc1,"InChI=1/C13H18O3/c1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3",C13H18O3,,,,,,LFYMGSKZVOVUKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.006,242-923-3,19257-03-5,Glycylnorvaline,glycylnorvaline,CCCC(NC(=O)CN)C(=O)O,CCCC(NC(=O)CN)C(=O)O,"InChI=1/C7H14N2O3/c1-2-3-5(7(11)12)9-6(10)4-8/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)",C7H14N2O3,,,,,,JXIQKLAZYWZTRA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.016,242-934-3,19282-87-2,Phenyl 3-ethoxy-3-iminopropionate,phenyl 3-ethoxy-3-iminopropanoate,CCOC(=N)CC(=O)Oc1ccccc1,CCOC(=N)CC(=O)Oc1ccccc1,"InChI=1/C11H13NO3/c1-2-14-10(12)8-11(13)15-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3",C11H13NO3,,,,,,UPPLLLGNILNJOR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.020,242-939-0,19286-75-0,1-anilino-4-hydroxyanthraquinone,"1-anilino-4-hydroxy-9,10-anthraquinone",Oc1ccc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,Oc1ccc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO3/c22-16-11-10-15(21-12-6-2-1-3-7-12)17-18(16)20(24)14-9-5-4-8-13(14)19(17)23/h1-11,21-22H",C20H13NO3,,,,,,ZNQIAQXHADXXQI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.028,242-947-4,19295-82-0,Decyl undecyl phthalate,decyl undecyl phthalate,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC,"InChI=1/C29H48O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-16-14-12-10-8-6-4-2/h18-19,22-23H,3-17,20-21,24-25H2,1-2H3",C29H48O4,,,,,,WSVPEEMLBFYJQU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.430,236-789-5,13482-10-5,"N,N'-bis(1-methylpropyl)benzene-1,2-diamine","N,N'-di-sec-butylbenzene-1,2-diamine",CCC(C)Nc1ccccc1NC(C)CC,CCC(C)Nc1ccccc1NC(C)CC,"InChI=1/C14H24N2/c1-5-11(3)15-13-9-7-8-10-14(13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3",C14H24N2,,,,,,ZGDGVGVOFIGJIE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.431,236-790-0,13483-03-9,"4,5-dihydrothiazol-2-amine monohydrobromide","4,5-dihydro-1,3-thiazol-2-amine hydrobromide",Br.NC1=NCCS1,Br.NC1=NCCS1,"InChI=1/C3H6N2S.BrH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H",C3H6N2S.BrH,,,,,,QWPKJGJJMQHNPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.438,236-797-9,13486-43-6,2-[N-ethyl-p-[(6-methoxybenzothiazol-2-yl)azo]anilino]ethanol,"2-(ethyl{4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)ethanol",CCN(CCO)c1ccc(cc1)N=Nc2nc3ccc(OC)cc3s2,CCN(CCO)c1ccc(cc1)N=Nc2nc3ccc(OC)cc3s2,"InChI=1/C18H20N4O2S/c1-3-22(10-11-23)14-6-4-13(5-7-14)20-21-18-19-16-9-8-15(24-2)12-17(16)25-18/h4-9,12,23H,3,10-11H2,1-2H3",C18H20N4O2S,,,,,,UDACKEZLXLPHBN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.439,236-798-4,13487-27-9,a-methylcyclohexylmethyl acetate,(1-methylcyclohexyl)methyl acetate,CC(=O)OCC1(C)CCCCC1,CC(=O)OCC1(C)CCCCC1,"InChI=1/C10H18O2/c1-9(11)12-8-10(2)6-4-3-5-7-10/h3-8H2,1-2H3",C10H18O2,,,,,,QWFFCQPCSPVBQO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.456,236-818-1,13497-18-2,Bis(triethoxysilylpropyl)amine,1-(triethoxysilyl)-N-[1-(triethoxysilyl)propyl]propan-1-amine,CCO[Si](OCC)(OCC)C(CC)NC(CC)[Si](OCC)(OCC)OCC,CCO[Si](OCC)(OCC)C(CC)NC(CC)[Si](OCC)(OCC)OCC,"InChI=1/C18H43NO6Si2/c1-9-17(26(20-11-3,21-12-4)22-13-5)19-18(10-2)27(23-14-6,24-15-7)25-16-8/h17-19H,9-16H2,1-8H3",C18H43NO6Si2,,,,,,OUESQCNQPJGGHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.457,236-819-7,13497-25-1,"Tetrabutyl 2,2'-[(dibutylstannylene)dithio]disuccinate","tributyl 4,4-dibutyl-8-oxo-9-oxa-3,5-dithia-4-stannatridecane-1,2,6-tricarboxylate",CCCCOC(=O)CC(S[Sn](CCCC)(CCCC)SC(CC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC,CCCCOC(=O)CC(S[Sn](CCCC)(CCCC)SC(CC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC,"InChI=1/2C12H22O4S.2C4H9.Sn/c2*1-3-5-7-15-11(13)9-10(17)12(14)16-8-6-4-2;2*1-3-4-2;/h2*10,17H,3-9H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H60O8S2Sn/c1-7-13-19-37-29(33)25-27(31(35)39-21-15-9-3)41-43(23-17-11-5,24-18-12-6)42-28(32(36)40-22-16-10-4)26-30(34)38-20-14-8-2/h27-28H,7-26H2,1-6H3",C32H60O8S2Sn,,,,,,VXTLEAISONEAJR-UHFFFAOYSA-L,,,,,,,,,,,
100.033.461,236-823-9,13498-08-3,Ytterbium(3+) perchlorate,ytterbium(3+) triperchlorate,[Yb+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Yb+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Yb.2H/c3*2-1(3,4)5;;;/h3*(H,2,3,4,5);;;/q;;;+3;;/p-3/r3ClHO4.H2Yb/c3*2-1(3,4)5;/h3*(H,2,3,4,5);1H2/q;;;+3/p-3",ClHO4.1/3Yb,,,,,,FLUCZZRGYSITMV-UHFFFAOYSA-K,,,,,,,,,,,
100.031.191,234-324-0,11099-06-2,"Silicic acid, ethyl ester",ethoxy(oxo)silanol,CCO[Si](=O)O,CCO[Si](=O)O,"InChI=1/C2H6O3Si/c1-2-5-6(3)4/h3H,2H2,1H3",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/19025,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.191,JDAIJCNBFIWLJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.192,234-325-6,11099-07-3,"Octadecanoic acid, ester with 1,2,3-propanetriol","2,3-dihydroxypropyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3",-,,,,,,VBICKXHEKHSIBG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.212,234-347-6,11113-70-5,"Silicic acid, chromium lead salt",-,[Pb+4].[Cr+2].[O-][Si](=O)[O-],[Pb+4].[Cr+2].[O-][Si](=O)[O-],InChI=1/Cr.O3Si.Pb/c;1-4(2)3;/q+2;-2;+4,-,,,,,,LTMIJUVXJJIHDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.223,234-359-1,11116-97-5,(gluconato)(lactato)calcium,"calcium 2-hydroxypropanoate 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",CC(O)C(=O)O[Ca]OC(=O)C(O)C(O)C(O)C(O)CO,CC(O)C(=O)O[Ca]OC(=O)C(O)C(O)C(O)C(O)CO,"InChI=1/C6H12O7.C3H6O3.Ca/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-2(4)3(5)6;/h2-5,7-11H,1H2,(H,12,13);2,4H,1H3,(H,5,6);/q;;+2/p-2",C9H16CaO10,,,,,,PWKNEBQRTUXXLT-UHFFFAOYSA-L,,,,,,,,,,,
100.031.232,234-369-6,11126-29-7,"Silicic acid, zinc salt",zinc oxosilanediolate,[Zn+2].[O-][Si](=O)[O-],[Zn+2].[O-][Si](=O)[O-],InChI=1/O3Si.Zn/c1-4(2)3;/q-2;+2,-,,,,,,XSMMCTCMFDWXIX-UHFFFAOYSA-N,,,,,,,,,,,
100.031.388,234-541-0,"12008-41-2, 12280-03-4",Disodium octaborate,disodium octaborate,[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/8BO3.2Na/c8*2-1(3)4;;/q8*-3;2*+1,B8Na2O13,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14136,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.388,XUYGEZDPWVHSIS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.917,238-426-6,14448-18-1,Dinickel diphosphate,dinickel diphosphate,[Ni+2].[Ni+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Ni+2].[Ni+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2Ni.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-6",H4O7P2.2Ni,,,,,,RNNFCVMIIBAOFZ-UHFFFAOYSA-H,,,,,,,,,,,
100.034.921,238-430-8,14450-05-6,"2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate","3-(nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl nonanoate (non-preferred name)",CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,"InChI=1/C41H76O8/c1-5-9-13-17-21-25-29-37(42)46-33-41(34-47-38(43)30-26-22-18-14-10-6-2,35-48-39(44)31-27-23-19-15-11-7-3)36-49-40(45)32-28-24-20-16-12-8-4/h5-36H2,1-4H3",C41H76O8,,,,,,IBKKMFMBXQARGV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.929,238-439-7,14455-27-7,"N6-(2,4-dinitrophenyl)-L-lysine hydrochloride","N~6~-(2,4-dinitrophenyl)lysine hydrochloride",Cl.N[C@@H](CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,Cl.N[C@@H](CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C12H16N4O6.ClH/c13-9(12(17)18)3-1-2-6-14-10-5-4-8(15(19)20)7-11(10)16(21)22;/h4-5,7,9,14H,1-3,6,13H2,(H,17,18);1H",C12H16N4O6.xClH,,,,,,VDVXDUOPLKVMMM-FVGYRXGTSA-N,,,,,,,,,,,
100.034.932,238-442-3,14456-47-4,Terbium tribromide,terbium(3+) tribromide,[Br-].[Br-].[Br-].[Tb+3],[Br-].[Br-].[Br-].[Tb+3],InChI=1/3BrH.Tb/h3*1H;/q;;;+3/p-3,Br3Tb,,,,,,AZNZWHYYEIQIOC-UHFFFAOYSA-K,,,,,,,,,,,
100.034.935,238-446-5,14456-53-2,Lutetium tribromide,lutetium tribromide,[Br-].[Br-].[Br-].[Lu+3],[Br-].[Br-].[Br-].[Lu+3],InChI=1/3BrH.Lu/h3*1H;/q;;;+3/p-3,Br3Lu,,,,,,DWHGOINJUKABSY-UHFFFAOYSA-K,,,,,,,,,,,
100.034.936,238-447-0,14457-87-5,Cerium tribromide,cerium(3+) tribromide,[Br-].[Br-].[Br-].[Ce+3],[Br-].[Br-].[Br-].[Ce+3],InChI=1/3BrH.Ce/h3*1H;/q;;;+3/p-3,Br3Ce,,,,,,MOOUSOJAOQPDEH-UHFFFAOYSA-K,,,,,,,,,,,
100.034.937,238-448-6,14458-75-4,"Spiro[acridine-9(10H),1'-cyclohexane]","10H-spiro[acridine-9,1'-cyclohexane]",C1CCC2(CC1)c3ccccc3Nc4ccccc24,C1CCC2(CC1)c3ccccc3Nc4ccccc24,"InChI=1/C18H19N/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11,19H,1,6-7,12-13H2",C18H19N,,,,,,JKUQXMBYLVLQLN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.939,238-450-7,14459-29-1,Haematoporphyrin,"3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid",CC(O)C1=C(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5C(C)O)c(C)c4CCC(=O)O)C(=C3C)CCC(=O)O,CC(O)C1=C(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5C(C)O)c(C)c4CCC(=O)O)C(=C3C)CCC(=O)O,"InChI=1/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)",C34H38N4O6,,,,,,YBKGPLLIRRVJIW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.941,238-452-8,14463-68-4,Sodium 2-naphthyl hydrogen phosphate,sodium 2-naphthyl hydrogen phosphate,[Na+].[O-]P(=O)(O)Oc1ccc2ccccc2c1,[Na+].[O-]P(=O)(O)Oc1ccc2ccccc2c1,"InChI=1/C10H9O4P.Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H2,11,12,13);/q;+1/p-1",C10H9O4P.Na,,,,,,GHMHDIFFBHLXTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.034.945,238-457-5,14465-68-0,"Propane-1,2,3-triyl tris[(9Z,12Z,15Z)-octadeca-9,12,15-trienoate]","propane-1,2,3-triyl trisoctadeca-9,12,15-trienoate",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\\C=C/C\\C=C/C\\C=C/CC)OC(=O)CCCCCCC\\C=C/C\\C=C/C\\C=C/CC,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,54H,4-6,13-15,22-24,31-53H2,1-3H3",C57H92O6,,,,,,UBEIMDKGOYBUKT-FLIQGJDUSA-N,,,,,,,,,,,
100.034.949,238-461-7,14468-90-7,1-(trimethylsilyl)pyrrolidin-2-one,1-(trimethylsilyl)pyrrolidin-2-one,C[Si](C)(C)N1CCCC1=O,C[Si](C)(C)N1CCCC1=O,"InChI=1/C7H15NOSi/c1-10(2,3)8-6-4-5-7(8)9/h4-6H2,1-3H3",C7H15NOSi,,,,,,LUBVCBITQHEVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.428,241-187-0,17124-73-1,2-[2-(diethylammonio)ethyl]isothiouronium dichloride,(amino{[2-(diethylammonio)ethyl]sulfanyl}methylene)ammonium dichloride,[Cl-].[Cl-].CC[NH+](CC)CCSC(=[NH2+])N,[Cl-].[Cl-].CC[NH+](CC)CCSC(=[NH2+])N,"InChI=1/C7H17N3S.2ClH/c1-3-10(4-2)5-6-11-7(8)9;;/h3-6H2,1-2H3,(H3,8,9);2*1H",C7H17N3S.2ClH,,,,,,QMSYVGCCVPYKCT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.438,241-198-0,17139-83-2,Trimethoxy-7-oxabicyclo[4.1.0]hept-3-ylsilane,trimethoxy(7-oxabicyclo[4.1.0]hept-3-yl)silane,CO[Si](OC)(OC)C1CCC2OC2C1,CO[Si](OC)(OC)C1CCC2OC2C1,"InChI=1/C9H18O4Si/c1-10-14(11-2,12-3)7-4-5-8-9(6-7)13-8/h7-9H,4-6H2,1-3H3",C9H18O4Si,,,,,,ZQDWUJIBGXKPDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.442,241-203-6,17140-60-2,Calcium glucoheptonate,"calcium bis(2,3,4,5,6,7-hexahydroxyheptanoate) (non-preferred name)",[Ca+2].OCC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OCC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Ca+2].OCC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OCC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2",C7H14O8.1/2Ca,,,,,,FATUQANACHZLRT-YTESCSPLSA-L,,,,,,,,,,,
100.061.112,267-243-4,67828-22-2,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethoxyphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2,4-dimethoxyphenyl)-3-oxobutanamide]",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1OC)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OC)cc3OC)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1OC)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OC)cc3OC)c(Cl)c4,"InChI=1/C36H34Cl2N6O8/c1-19(45)33(35(47)39-29-13-9-23(49-3)17-31(29)51-5)43-41-27-11-7-21(15-25(27)37)22-8-12-28(26(38)16-22)42-44-34(20(2)46)36(48)40-30-14-10-24(50-4)18-32(30)52-6/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)",C36H34Cl2N6O8,,,,,,WFCJLCVNQRYFRP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.119,267-251-8,67828-29-9,"4-[bis[4-[ethyl(phenylmethyl)amino]phenyl]methyl]benzene-1,3-disulphonic acid","4-(bis{4-[benzyl(ethyl)amino]phenyl}methyl)benzene-1,3-disulfonic acid",CCN(Cc1ccccc1)c2ccc(cc2)C(c3ccc(cc3)N(CC)Cc4ccccc4)c5ccc(cc5S(=O)(=O)O)S(=O)(=O)O,CCN(Cc1ccccc1)c2ccc(cc2)C(c3ccc(cc3)N(CC)Cc4ccccc4)c5ccc(cc5S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C37H38N2O6S2/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29/h5-25,37H,3-4,26-27H2,1-2H3,(H,40,41,42)(H,43,44,45)",C37H38N2O6S2,,,,,,VMXLVYWJPWIZHK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.122,267-254-4,67828-32-4,"4-[bis[4-(diethylamino)phenyl]methyl]naphthalene-2,7-disulphonic acid","4-{bis[4-(diethylamino)phenyl]methyl}naphthalene-2,7-disulfonic acid",CCN(CC)c1ccc(cc1)C(c2ccc(cc2)N(CC)CC)c3cc(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,CCN(CC)c1ccc(cc1)C(c2ccc(cc2)N(CC)CC)c3cc(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C31H36N2O6S2/c1-5-32(6-2)25-13-9-22(10-14-25)31(23-11-15-26(16-12-23)33(7-3)8-4)30-21-28(41(37,38)39)20-24-19-27(40(34,35)36)17-18-29(24)30/h9-21,31H,5-8H2,1-4H3,(H,34,35,36)(H,37,38,39)",C31H36N2O6S2,,,,,,IGQUBTSSKFJNGK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.753,261-348-9,58593-78-5,"4-chlorobenzene-1,3-dithiol","4-chlorobenzene-1,3-dithiol",Sc1ccc(Cl)c(S)c1,Sc1ccc(Cl)c(S)c1,"InChI=1/C6H5ClS2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H",C6H5ClS2,,,,,,HCDLDZCJYMCKQH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.756,261-352-0,58594-77-7,Methyl 2-[p-[p-(trifluoromethyl)phenoxy]phenoxy]propionate,methyl 2-{4-[4-(trifluoromethyl)phenoxy]phenoxy}propanoate,COC(=O)C(C)Oc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1,COC(=O)C(C)Oc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1,"InChI=1/C17H15F3O4/c1-11(16(21)22-2)23-13-7-9-15(10-8-13)24-14-5-3-12(4-6-14)17(18,19)20/h3-11H,1-2H3",C17H15F3O4,,,,,,MDXGYOOITGBCBW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.761,261-357-8,58599-60-3,"(tetrachloro-1,4-phenylene)bismethylene diacrylate","(2,3,5,6-tetrachloro-1,4-phenylene)bis(methylene) bisacrylate",Clc1c(Cl)c(COC(=O)C=C)c(Cl)c(Cl)c1COC(=O)C=C,Clc1c(Cl)c(COC(=O)C=C)c(Cl)c(Cl)c1COC(=O)C=C,"InChI=1/C14H10Cl4O4/c1-3-9(19)21-5-7-11(15)13(17)8(14(18)12(7)16)6-22-10(20)4-2/h3-4H,1-2,5-6H2",C14H10Cl4O4,,,,,,GEPKEOMRSGYOIR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.480,266-549-5,67024-46-8,Isopropyl 2-ethylhexanoate,isopropyl 2-ethylhexanoate,CCCCC(CC)C(=O)OC(C)C,CCCCC(CC)C(=O)OC(C)C,"InChI=1/C11H22O2/c1-5-7-8-10(6-2)11(12)13-9(3)4/h9-10H,5-8H2,1-4H3",C11H22O2,,,,,,KWJPCZGVGLPKMD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.484,266-553-7,67027-06-9,"1-(4-pyridyl)-3-(1,2,2-trimethylpropyl)thiourea","1-pyridin-4-yl-3-(1,2,2-trimethylpropyl)thiourea",CC(NC(=S)Nc1ccncc1)C(C)(C)C,CC(NC(=S)Nc1ccncc1)C(C)(C)C,"InChI=1/C12H19N3S/c1-9(12(2,3)4)14-11(16)15-10-5-7-13-8-6-10/h5-9H,1-4H3,(H2,13,14,15,16)",C12H19N3S,,,,,,TYNORQRGVYNOSO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.486,266-555-8,67036-85-5,1-amino-4-hydroxy-2-[4-(2-oxopropoxy)phenoxy]anthraquinone,"1-amino-4-hydroxy-2-[4-(2-oxopropoxy)phenoxy]-9,10-anthraquinone",CC(=O)COc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,CC(=O)COc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C23H17NO6/c1-12(25)11-29-13-6-8-14(9-7-13)30-18-10-17(26)19-20(21(18)24)23(28)16-5-3-2-4-15(16)22(19)27/h2-10,26H,11,24H2,1H3",C23H17NO6,,,,,,QKSHXKRSGMVHSN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.492,266-562-6,67067-94-1,Methyl morpholine-4-acetate hydrochloride,methyl morpholin-4-ylacetate hydrochloride,Cl.COC(=O)CN1CCOCC1,Cl.COC(=O)CN1CCOCC1,"InChI=1/C7H13NO3.ClH/c1-10-7(9)6-8-2-4-11-5-3-8;/h2-6H2,1H3;1H",C7H13NO3.ClH,,,,,,QQEFVDXETIPWFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.497,266-567-3,67083-70-9,"[(2,3-dimethylphenyl)amino]acetonitrile","[(2,3-dimethylphenyl)amino]acetonitrile",Cc1cccc(NCC#N)c1C,Cc1cccc(NCC#N)c1C,"InChI=1/C10H12N2/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3-5,12H,7H2,1-2H3",C10H12N2,,,,,,YWJMVRHCDGQFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.499,266-569-4,67105-42-4,Ethyl 2-cyano-2-(cyclohex-1-enyl)propionate,ethyl 2-cyano-2-cyclohex-1-en-1-ylpropanoate,CCOC(=O)C(C)(C#N)C1=CCCCC1,CCOC(=O)C(C)(C#N)C1=CCCCC1,"InChI=1/C12H17NO2/c1-3-15-11(14)12(2,9-13)10-7-5-4-6-8-10/h7H,3-6,8H2,1-2H3",C12H17NO2,,,,,,ZEONYZULERIQDF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.253,260-798-3,57533-87-6,"3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, potassium salt",-,[K+].CN1C(=O)N(C)c2[nH]cnc2C1=O,[K+].CN1C(=O)N(C)c2[nH]cnc2C1=O,"InChI=1/C7H8N4O2.K/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);/q;+1",C7H8N4O2.K,,,,,,AYOJGYLLBVGRNI-UHFFFAOYSA-N,,,,,,,,,,,
100.039.029,242-949-5,19296-90-3,"(+)-1,5,5-trimethyl-2-thiabicyclo[2.2.2]octane","1,5,5-trimethyl-2-thiabicyclo[2.2.2]octane",CC1(C)CC2(C)CCC1CS2,CC1(C)CC2(C)CCC1CS2,"InChI=1/C10H18S/c1-9(2)7-10(3)5-4-8(9)6-11-10/h8H,4-7H2,1-3H3",C10H18S,,,,,,UBYLTHQVRMOKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.030,242-950-0,19301-39-4,Benzo[b]thiophene-6-ol,1-benzothiophene-6-ol,Oc1ccc2ccsc2c1,Oc1ccc2ccsc2c1,"InChI=1/C8H6OS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H",C8H6OS,,,,,,DQUZFPKUMCZPQD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.878,241-683-7,17692-31-8,Dropropizine,"3-(4-phenylpiperazin-1-yl)propane-1,2-diol",OCC(O)CN1CCN(CC1)c2ccccc2,OCC(O)CN1CCN(CC1)c2ccccc2,"InChI=1/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2",C13H20N2O2,,,,,,PTVWPYVOOKLBCG-UHFFFAOYSA-N,Positive,EQ330701|EQ330702|EQ330703|EQ330704|EQ330705|EQ330706,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,237.1597:118.0862:219.149|237.1597:118.0862:160.0995|237.1597:118.0862:160.0995|120.0807:160.0995:132.0807|120.0807:160.0995:70.0651|120.0807:104.0495:70.0651,Eawag,,,,,
100.037.887,241-693-1,17695-32-8,"1-ethyl-2-[7-(1-ethyl-2(1H)-quinolylidene)hepta-1,3,5-trienyl]quinolinium iodide","1-ethyl-2-[7-(1-ethylquinolin-2(1H)-ylidene)hepta-1,3,5-trien-1-yl]quinolinium iodide",[I-].CC[n+]3c4ccccc4ccc3C=CC=CC=CC=C2\\C=C/c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=CC=CC=CC=C2\C=C/c1ccccc1N2CC,"InChI=1/C29H29N2.HI/c1-3-30-26(22-20-24-14-10-12-18-28(24)30)16-8-6-5-7-9-17-27-23-21-25-15-11-13-19-29(25)31(27)4-2;/h5-23H,3-4H2,1-2H3;1H/q+1;/p-1",C29H29N2.I,,,,,,QISHCOOKKXNXNW-UHFFFAOYSA-M,,,,,,,,,,,
100.037.890,241-696-8,17696-37-6,"4-tert-butyl-2,5-xylenol","4-tert-butyl-2,5-dimethylphenol",Cc1cc(c(C)cc1O)C(C)(C)C,Cc1cc(c(C)cc1O)C(C)(C)C,"InChI=1/C12H18O/c1-8-7-11(13)9(2)6-10(8)12(3,4)5/h6-7,13H,1-5H3",C12H18O,,,,,,ZSPDNAYHQYQUPC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.899,241-706-0,17700-54-8,"N-(2,6-dichlorophenyl)acetamide","N-(2,6-dichlorophenyl)acetamide",CC(=O)Nc1c(Cl)cccc1Cl,CC(=O)Nc1c(Cl)cccc1Cl,"InChI=1/C8H7Cl2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)",C8H7Cl2NO,,,,,,DWVWVSLAIJHBBG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.903,241-710-2,17701-76-7,"1,1,3,3-tetramethylbutyl isothiocyanate","2-isothiocyanato-2,4,4-trimethylpentane",CC(C)(C)CC(C)(C)N=C=S,CC(C)(C)CC(C)(C)N=C=S,"InChI=1/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3",C9H17NS,,,,,,KUGHMFIBHMZICO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.906,241-713-9,17705-81-6,2-aminobutyl oleate,2-aminobutyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(N)CC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(N)CC,"InChI=1/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-20-21(23)4-2/h11-12,21H,3-10,13-20,23H2,1-2H3",C22H43NO2,,,,,,PAJXKWALMFXULT-QXMHVHEDSA-N,,,,,,,,,,,
100.037.913,241-721-2,17726-03-3,"1,2-dimethyl-1H-indole-3-ethylamine","2-(1,2-dimethyl-1H-indol-3-yl)ethanamine",Cc1c(CCN)c2ccccc2n1C,Cc1c(CCN)c2ccccc2n1C,"InChI=1/C12H16N2/c1-9-10(7-8-13)11-5-3-4-6-12(11)14(9)2/h3-6H,7-8,13H2,1-2H3",C12H16N2,,,,,,KBEZJUQXXJDBDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.914,241-722-8,17727-74-1,"1,4-diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone","1,4-diamino-5,8-dihydroxy-2-(phenylsulfanyl)-9,10-anthraquinone",Nc1cc(Sc2ccccc2)c(N)c3C(=O)c4c(O)ccc(O)c4C(=O)c13,Nc1cc(Sc2ccccc2)c(N)c3C(=O)c4c(O)ccc(O)c4C(=O)c13,"InChI=1/C20H14N2O4S/c21-10-8-13(27-9-4-2-1-3-5-9)18(22)17-14(10)19(25)15-11(23)6-7-12(24)16(15)20(17)26/h1-8,23-24H,21-22H2",C20H14N2O4S,,,,,,PUHVZLBTWPOIFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.921,241-730-1,17737-65-4,Clonixin,2-[(3-chloro-2-methylphenyl)amino]nicotinic acid,Cc1c(Cl)cccc1Nc2ncccc2C(=O)O,Cc1c(Cl)cccc1Nc2ncccc2C(=O)O,"InChI=1/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)",C13H11ClN2O2,,,,,,CLOMYZFHNHFSIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.922,241-731-7,17739-41-2,3-hydroxy-2-(3-hydroxy-2-quinolyl)-1-oxo-1H-indene-6-carboxylic acid,3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1-oxo-1H-indene-6-carboxylic acid,OC(=O)c1ccc2C(=C(C(=O)c2c1)c3nc4ccccc4cc3O)O,OC(=O)c1ccc2C(=C(C(=O)c2c1)c3nc4ccccc4cc3O)O,"InChI=1/C19H11NO5/c21-14-8-9-3-1-2-4-13(9)20-16(14)15-17(22)11-6-5-10(19(24)25)7-12(11)18(15)23/h1-8,21-22H,(H,24,25)",C19H11NO5,,,,,,JBBOTEFHSNYTCP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.837,235-034-7,12059-23-3,"Nickel, compound with tin (3:1)",-,[Ni].[Ni].[Ni].[Sn],[Ni].[Ni].[Ni].[Sn],InChI=1/3Ni.Sn.2H/q3*+2;+4;;/r3Ni.H2Sn/h;;;1H2/q3*+2;+4,Ni.Sn,,,,,,VOAJFVXCQSFDLE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.850,235-048-3,12062-26-9,Iron(3+) hexafluorosilicate(2-),iron(3+) hexafluorosilicate(2-),[Fe+3].[Fe+3].F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F,[Fe+3].[Fe+3].F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F,"InChI=1/3F6Si.2Fe/c3*1-7(2,3,4,5)6;;/q3*-2;2*+3",F6Si.2/3Fe,,,,,,CNYKJSBXRDTEHS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.871,235-071-9,12066-81-8,"Antimony, compound with praseodymium (1:1)",-,[Sb].[Pr],[Sb].[Pr],InChI=1/Pr.Sb/q2*+3,Pr.Sb,,,,,,MHUUNPRVUKWBIV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.631,237-010-1,13576-96-0,"1,2-dihydro-4-[(isopropyl)amino]-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one hydrochloride","4-(isopropylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one hydrochloride",Cl.CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2,Cl.CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C14H19N3O.ClH/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12;/h5-10,15H,1-4H3;1H",C14H19N3O.xClH,,,,,,WJPVTNJDDFIBKU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.397,234-551-5,12010-44-5,"Bismuth, compound with gadolinium (1:1)",-,[Gd].[Bi],[Gd].[Bi],InChI=1/Bi.Gd/q2*+3,Bi.Gd,,,,,,XXHRVGVASCXZLC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.254,266-300-0,66289-21-2,(20R)-3-oxopregn-4-ene-20-carbaldehyde,"2-(10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanal (non-preferred name)",C[C@@H](C=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](C=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3",C22H32O2,,,,,,XVPJEGGIGJLDQK-IJDPAOOOSA-N,,,,,,,,,,,
100.060.258,266-304-2,66300-61-6,"1,4-bis(2,2,2-trifluoroethoxy)benzene","1,4-bis(2,2,2-trifluoroethoxy)benzene",FC(F)(F)COc1ccc(OCC(F)(F)F)cc1,FC(F)(F)COc1ccc(OCC(F)(F)F)cc1,"InChI=1/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2",C10H8F6O2,,,,,,ZHUBFESHPMGIDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.259,266-305-8,66304-04-9,Pentyl 2-(dimethylamino)benzoate,pentyl 2-(dimethylamino)benzoate,CCCCCOC(=O)c1ccccc1N(C)C,CCCCCOC(=O)c1ccccc1N(C)C,"InChI=1/C14H21NO2/c1-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15(2)3/h6-7,9-10H,4-5,8,11H2,1-3H3",C14H21NO2,,,,,,CMOMUQUTZFSRKI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.260,266-306-3,66304-05-0,"1,5-dihydroxy-4,8-bis(hydroxyamino)anthraquinone","1,5-dihydroxy-4,8-bis(hydroxyamino)-9,10-anthraquinone",ONc1ccc(O)c2C(=O)c3c(NO)ccc(O)c3C(=O)c12,ONc1ccc(O)c2C(=O)c3c(NO)ccc(O)c3C(=O)c12,"InChI=1/C14H10N2O6/c17-7-3-1-5(15-21)9-11(7)14(20)10-6(16-22)2-4-8(18)12(10)13(9)19/h1-4,15-18,21-22H",C14H10N2O6,,,,,,JVIPAPNJSFTNSN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.271,266-318-9,66332-77-2,2-methoxyphenyl 2-(4-isobutylphenyl)propionate,2-methoxyphenyl 2-(4-isobutylphenyl)propanoate,COc1ccccc1OC(=O)C(C)c2ccc(CC(C)C)cc2,COc1ccccc1OC(=O)C(C)c2ccc(CC(C)C)cc2,"InChI=1/C20H24O3/c1-14(2)13-16-9-11-17(12-10-16)15(3)20(21)23-19-8-6-5-7-18(19)22-4/h5-12,14-15H,13H2,1-4H3",C20H24O3,,,,,,FVRWRGBTEHAPDI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.278,266-326-2,66353-69-3,[3-amino-4-(methylamino)phenyl] phenyl ketone,[3-amino-4-(methylamino)phenyl](phenyl)methanone,CNc1ccc(cc1N)C(=O)c2ccccc2,CNc1ccc(cc1N)C(=O)c2ccccc2,"InChI=1/C14H14N2O/c1-16-13-8-7-11(9-12(13)15)14(17)10-5-3-2-4-6-10/h2-9,16H,15H2,1H3",C14H14N2O,,,,,,SFVWUAIFCISEEK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.287,266-336-7,66375-37-9,Dipotassium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate,dipotassium 5-(7-carboxylatoheptyl)-2-hexylcyclohex-3-ene-1-carboxylate,[K+].[K+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)[O-],[K+].[K+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)[O-],"InChI=1/C21H36O4.2K/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);;/q;2*+1/p-2",C21H36O4.2K,,,,,,WEHLQEBKDGJWEI-UHFFFAOYSA-L,,,,,,,,,,,
100.033.468,236-831-2,13504-85-3,"1-benzyl hydrogen (2S-trans)-4-hydroxypyrrolidine-1,2-dicarboxylate",1-[(benzyloxy)carbonyl]-4-hydroxy-L-proline,O[C@@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(=O)O,O[C@@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(=O)O,"InChI=1/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)",C13H15NO5,,,,,,WWVCWLBEARZMAH-MNOVXSKESA-N,,,,,,,,,,,
100.033.470,236-833-3,13506-76-8,6-nitro-o-toluic acid,2-methyl-6-nitrobenzoic acid,Cc1cccc(c1C(=O)O)[N+](=O)[O-],Cc1cccc(c1C(=O)O)[N+](=O)[O-],"InChI=1/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11)",C8H7NO4,,,,,,CCXSGQZMYLXTOI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.474,236-838-0,13509-52-9,"1,3,4-trimethyluracil","1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione",CN1C(=CC(=O)N(C)C1=O)C,CN1C(=CC(=O)N(C)C1=O)C,"InChI=1/C7H10N2O2/c1-5-4-6(10)9(3)7(11)8(5)2/h4H,1-3H3",C7H10N2O2,,,,,,GRDXZRWCQWDLPG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.475,236-839-6,13510-35-5,Indium triiodide,indium triiodide,[In+3].[I-].[I-].[I-],[In+3].[I-].[I-].[I-],InChI=1/3HI.In/h3*1H;/q;;;+3/p-3,I3In,,,,,,RMUKCGUDVKEQPL-UHFFFAOYSA-K,,,,,,,,,,,
100.033.476,236-840-1,13510-42-4,Rubidium perchlorate,rubidium perchlorate,[Rb+].[O-]Cl(=O)(=O)=O,[Rb+].[O-]Cl(=O)(=O)=O,"InChI=1/ClHO4.Rb/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",ClHO4.Rb,,,,,,NQYGGOOZLKJKPS-UHFFFAOYSA-M,,,,,,,,,,,
100.033.487,236-852-7,13515-40-7,2-[(4-chloro-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxobutyramide,2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccccc1OC)cc2)[N+]([O-])=O,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccccc1OC)cc2)[N+]([O-])=O,"InChI=1/C17H15ClN4O5/c1-10(23)16(17(24)19-13-5-3-4-6-15(13)27-2)21-20-12-8-7-11(18)9-14(12)22(25)26/h3-9,16H,1-2H3,(H,19,24)",C17H15ClN4O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11102,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.487,QPHCXDDGQQLPIM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.490,236-855-3,13516-27-3,Guazatine,"N,N'''-(iminodioctane-8,1-diyl)diguanidine",NC(=N)NCCCCCCCCNCCCCCCCCNC(=N)N,NC(=N)NCCCCCCCCNCCCCCCCCNC(=N)N,"InChI=1/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)",C18H41N7,,,,,,RONFGUROBZGJKP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.491,236-856-9,13517-08-3,Tribarium diphosphate,tribarium diphosphate,[Ba+2].[Ba+2].[Ba+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Ba+2].[Ba+2].[Ba+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3Ba.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",Ba.2/3H3O4P,,,,,,WAKZZMMCDILMEF-UHFFFAOYSA-H,,,,,,,,,,,
100.037.446,241-207-8,17146-08-6,Chlorodimethyl(2-phenylethyl)silane,chloro(dimethyl)(2-phenylethyl)silane,C[Si](C)(Cl)CCc1ccccc1,C[Si](C)(Cl)CCc1ccccc1,"InChI=1/C10H15ClSi/c1-12(2,11)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",C10H15ClSi,,,,,,SBBQHOJYUBTWCW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.449,241-210-4,17151-27-8,Benzylethoxydimethylsilane,benzyl(ethoxy)dimethylsilane,CCO[Si](C)(C)Cc1ccccc1,CCO[Si](C)(C)Cc1ccccc1,"InChI=1/C11H18OSi/c1-4-12-13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3",C11H18OSi,,,,,,RFXODRCAZTVEOH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.453,241-215-1,17159-80-7,Ethyl 4-hydroxycyclohexanecarboxylate,ethyl 4-hydroxycyclohexanecarboxylate,CCOC(=O)C1CCC(O)CC1,CCOC(=O)C1CCC(O)CC1,"InChI=1/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3",C9H16O3,,,,,,BZKQJSLASWRDNE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.454,241-216-7,17161-57-8,Aluminium triricinoleate,aluminum tris(12-hydroxyoctadec-9-enoate),[Al+3].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Al+3].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O3.Al/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;;+3/p-3",C18H34O3.1/3Al,,,,,,RGSWBTSJNLYXFQ-MEOCIHEDSA-K,,,,,,,,,,,
100.037.458,241-220-9,17165-55-8,Allyl heptafluorobutyrate,allyl heptafluorobutanoate,FC(F)(F)C(F)(F)C(F)(F)C(=O)OCC=C,FC(F)(F)C(F)(F)C(F)(F)C(=O)OCC=C,"InChI=1/C7H5F7O2/c1-2-3-16-4(15)5(8,9)6(10,11)7(12,13)14/h2H,1,3H2",C7H5F7O2,,,,,,JFBHYYDXTQBWAL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.460,241-223-5,17173-47-6,Calcium L-glutamate (1:1),calcium 2-aminopentanedioate,[CaH2].N[C@@H](CCC(=O)[O-])C(=O)[O-],[CaH2].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.Ca.2H/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;;/q;+2;;/p-2/rC5H9NO4.CaH2/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2/q;+2/p-2",C5H9NO4.Ca,,,,,,OYNKLTOWCOSXOC-LHWPGRLPSA-L,,,,,,,,,,,
100.037.466,241-229-8,17182-43-3,"2,2,2-tribromoethyl chloroformate","2,2,2-tribromoethyl chlorocarbonate",ClC(=O)OCC(Br)(Br)Br,ClC(=O)OCC(Br)(Br)Br,"InChI=1/C3H2Br3ClO2/c4-3(5,6)1-9-2(7)8/h1H2",C3H2Br3ClO2,,,,,,CVIJTVPSUNZYMA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.298,241-044-2,16969-06-5,"2,4,5,6-tetrachloro-m-xylene-a,a'-diamine","(2,4,5,6-tetrachloro-1,3-phenylene)dimethanamine",NCc1c(Cl)c(Cl)c(Cl)c(CN)c1Cl,NCc1c(Cl)c(Cl)c(Cl)c(CN)c1Cl,"InChI=1/C8H8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/h1-2,13-14H2",C8H8Cl4N2,,,,,,DVUBTXDOKVCRID-UHFFFAOYSA-N,,,,,,,,,,,
100.037.299,241-045-8,16969-10-1,2-hydroxy-3-phenoxypropyl acrylate,2-hydroxy-3-phenoxypropyl acrylate,OC(COC(=O)C=C)COc1ccccc1,OC(COC(=O)C=C)COc1ccccc1,"InChI=1/C12H14O4/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10,13H,1,8-9H2",C12H14O4,,,,,,HHQAGBQXOWLTLL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.301,241-047-9,16970-55-1,Dihydrogen tetrachloropalladate(2-),palladium(4+) tetrachloride,Cl[Pd-2](Cl)(Cl)Cl,Cl[Pd-2](Cl)(Cl)Cl,"InChI=1/4ClH.Pd/h4*1H;/q;;;;+4/p-4/rCl4Pd/c1-5(2,3)4",Cl4Pd.2H,,,,,,RPYSFYBAYJBKCR-UHFFFAOYSA-J,,,,,,,,,,,
100.037.310,241-057-3,16978-57-7,Dexamethasone 21-(sodium 3-sulphobenzoate),"sodium 3-{[(9-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonate",CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O[Na],CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O[Na],"InChI=1/C28H31FO9S.Na/c1-25-10-8-18(30)13-17(25)6-7-21-20-9-11-27(34,26(20,2)14-22(31)28(21,25)29)23(32)15-38-24(33)16-4-3-5-19(12-16)39(35,36)37;/h3-5,8,10,12-13,20-22,31,34H,6-7,9,11,14-15H2,1-2H3,(H,35,36,37);/q;+1/p-1/rC28H30FNaO9S/c1-25-10-8-18(31)13-17(25)6-7-21-20-9-11-27(35,26(20,2)14-22(32)28(21,25)29)23(33)15-38-24(34)16-4-3-5-19(12-16)40(36,37)39-30/h3-5,8,10,12-13,20-22,32,35H,6-7,9,11,14-15H2,1-2H3",C29H33FO9S,,,,,,JWYVVXVZBRXMRN-UHFFFAOYSA-M,,,,,,,,,,,
100.037.321,241-069-9,16990-73-1,1H-indol-2-ol,1H-indol-2-ol,Oc1cc2ccccc2[nH]1,Oc1cc2ccccc2[nH]1,"InChI=1/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-10H",C8H7NO,,,,,,JHFAEUICJHBVHB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.323,241-072-5,16992-40-8,"Tetrahydro-6,6-dimethyl-3-thioxo-1,2,4-triazin-5(2H)-one","6,6-dimethyl-3-thioxo-1,2,4-triazinan-5-one",CC1(C)NNC(=S)NC1=O,CC1(C)NNC(=S)NC1=O,"InChI=1/C5H9N3OS/c1-5(2)3(9)6-4(10)7-8-5/h8H,1-2H3,(H2,6,7,9,10)",C5H9N3OS,,,,,,QUNUNCZHJTZYMB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.326,241-075-1,16995-35-0,"1,1,1,3-tetrachloroacetone","1,1,1,3-tetrachloroacetone",ClCC(=O)C(Cl)(Cl)Cl,ClCC(=O)C(Cl)(Cl)Cl,"InChI=1/C3H2Cl4O/c4-1-2(8)3(5,6)7/h1H2",C3H2Cl4O,,,,,,MSZQBKOLHPDFFD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.334,241-084-0,17010-21-8,Cadmium hexafluorosilicate(2-),cadmium hexafluorosilicate,[Cd+2].F[Si-2](F)(F)(F)(F)F,[Cd+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/Cd.F6Si/c;1-7(2,3,4,5)6/q+2;-2",Cd.F6Si,,,,,,CAFNXXSNGNBXDS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.268,260-814-9,57567-87-0,Tris(isopropoxy)titanium acetate,-,CC(C)O[Ti](OC(C)C)OC(C)C.CC(=O)[O-],CC(C)O[Ti](OC(C)C)OC(C)C.CC(=O)[O-],"InChI=1/3C3H7O.C2H4O2.Ti/c3*1-3(2)4;1-2(3)4;/h3*3H,1-2H3;1H3,(H,3,4);/q3*-1;;+3/p-1/rC9H21O3Ti.C2H4O2/c1-7(2)10-13(11-8(3)4)12-9(5)6;1-2(3)4/h7-9H,1-6H3;1H3,(H,3,4)/p-1",C11H24O5Ti,,,,,,JIPYURFPWBYHIF-UHFFFAOYSA-M,,,,,,,,,,,
100.036.427,240-086-9,15957-54-7,"2-fluoro-2,2-dinitroethyl 4-fluoro-4,4-dinitrobutyrate","2-fluoro-2,2-dinitroethyl 4-fluoro-4,4-dinitrobutanoate",[O-][N+](=O)C(F)(CCC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C(F)(CCC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H6F2N4O10/c7-5(9(14)15,10(16)17)2-1-4(13)22-3-6(8,11(18)19)12(20)21/h1-3H2",C6H6F2N4O10,,,,,,RSJWIXWBPOAQET-UHFFFAOYSA-N,,,,,,,,,,,
100.036.428,240-087-4,15957-73-0,2-hydroxybutyl 2-(2-oxoimidazolidin-1-yl)ethyl maleate,2-hydroxybutyl 2-(2-oxoimidazolidin-1-yl)ethyl but-2-enedioate,CCC(O)COC(=O)\\C=C/C(=O)OCCN1CCNC1=O,CCC(O)COC(=O)\C=C/C(=O)OCCN1CCNC1=O,"InChI=1/C13H20N2O6/c1-2-10(16)9-21-12(18)4-3-11(17)20-8-7-15-6-5-14-13(15)19/h3-4,10,16H,2,5-9H2,1H3,(H,14,19)",C13H20N2O6,,,,,,URNIKBZAMSRPMA-ARJAWSKDSA-N,,,,,,,,,,,
100.036.430,240-090-0,15958-27-7,2-[(2-cyanoethyl)[p-[(p-nitrophenyl)azo]phenyl]amino]ethyl carbanilate,2-[(2-cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl phenylcarbamate,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(=O)Nc2ccccc2)cc3,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(=O)Nc2ccccc2)cc3,"InChI=1/C24H22N6O4/c25-15-4-16-29(17-18-34-24(31)26-19-5-2-1-3-6-19)22-11-7-20(8-12-22)27-28-21-9-13-23(14-10-21)30(32)33/h1-3,5-14H,4,16-18H2,(H,26,31)",C24H22N6O4,,,,,,TYSBKZZQBVAKMC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.433,240-093-7,15958-68-6,"1,5-bis(cyclohexylamino)anthraquinone","1,5-bis(cyclohexylamino)-9,10-anthraquinone",O=C1c2cccc(NC3CCCCC3)c2C(=O)c4cccc(NC5CCCCC5)c14,O=C1c2cccc(NC3CCCCC3)c2C(=O)c4cccc(NC5CCCCC5)c14,"InChI=1/C26H30N2O2/c29-25-20-14-8-16-22(28-18-11-5-2-6-12-18)24(20)26(30)19-13-7-15-21(23(19)25)27-17-9-3-1-4-10-17/h7-8,13-18,27-28H,1-6,9-12H2",C26H30N2O2,,,,,,QSNJWMJODWUDPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.434,240-094-2,15959-03-2,o-aminophenyl ß-D-glucopyranosiduronic acid,2-aminophenyl beta-D-glucopyranosiduronic acid,Nc1ccccc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O,Nc1ccccc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O,"InChI=1/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)",C12H15NO7,,,,,,ZVFVTBSWJWONEI-GOVZDWNOSA-N,,,,,,,,,,,
100.036.439,240-100-3,15964-79-1,"Methyl 3,4-dimethoxyphenylacetate","methyl (3,4-dimethoxyphenyl)acetate",COC(=O)Cc1ccc(OC)c(OC)c1,COC(=O)Cc1ccc(OC)c(OC)c1,"InChI=1/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3",C11H14O4,,,,,,DILOFCBIBDMHAY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.441,240-102-4,15965-97-6,[(isopentyloxy)methyl]oxirane,2-[(3-methylbutoxy)methyl]oxirane,CC(C)CCOCC1CO1,CC(C)CCOCC1CO1,"InChI=1/C8H16O2/c1-7(2)3-4-9-5-8-6-10-8/h7-8H,3-6H2,1-2H3",C8H16O2,,,,,,YGOZVDCPBOZJMK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.444,240-106-6,15968-01-1,Disodium phthalate,disodium phthalate,[Na+].[Na+].[O-]C(=O)c1ccccc1C(=O)[O-],[Na+].[Na+].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.2Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H6O4.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5835,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.444,HQWKKEIVHQXCPI-UHFFFAOYSA-L,,,,,,,,,,,
100.036.451,240-113-4,15978-08-2,D-fructose 1-(dihydrogen phosphate),1-O-phosphonohex-2-ulose,OCC(O)C(O)C(O)C(=O)COP(=O)(O)O,OCC(O)C(O)C(O)C(=O)COP(=O)(O)O,"InChI=1/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)",C6H13O9P,,,,,,ZKLLSNQJRLJIGT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.456,240-119-7,15986-31-9,"2-mercaptopurine-6,8-diol","2-sulfanyl-9H-purine-6,8-diol",Oc1nc2c(O)nc(S)nc2[nH]1,Oc1nc2c(O)nc(S)nc2[nH]1,"InChI=1/C5H4N4O2S/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",C5H4N4O2S,,,,,,JDAXHCJXSLHZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.462,240-126-5,15987-00-5,2-butyl-3-methylpyrazine,2-butyl-3-methylpyrazine,CCCCc1nccnc1C,CCCCc1nccnc1C,"InChI=1/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3",C9H14N2,,,,,,IRSIKJPEFMMRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.463,240-127-0,15988-11-1,"4-phenyl-1,2,4-triazolidine-3,5-dione","4-phenyl-1,2,4-triazolidine-3,5-dione",O=C1NNC(=O)N1c2ccccc2,O=C1NNC(=O)N1c2ccccc2,"InChI=1/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)",C8H7N3O2,,,,,,GOSUFRDROXZXLN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.464,240-128-6,15989-50-1,"4,6-dianilino-1,3,5-triazine-2(1H)-thione","4,6-dianilino-1,3,5-triazine-2(1H)-thione",S=C1NC(=NC(=N1)Nc2ccccc2)Nc3ccccc3,S=C1NC(=NC(=N1)Nc2ccccc2)Nc3ccccc3,"InChI=1/C15H13N5S/c21-15-19-13(16-11-7-3-1-4-8-11)18-14(20-15)17-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)",C15H13N5S,,,,,,ZHVAHDKGUHZVSB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.465,240-129-1,15990-43-9,1-benzyl-3-carboxylatopyridinium,1-benzylpyridinium-3-carboxylate,[O-]C(=O)c1ccc[n+](Cc2ccccc2)c1,[O-]C(=O)c1ccc[n+](Cc2ccccc2)c1,"InChI=1/C13H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2",C13H11NO2,,,,,,AVWFAACIXBQMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.634,237-013-8,13581-52-7,"4,5,6,7-tetrahydro-2-imino-a-(p-mesylphenyl)benzothiazoline-3-ethanol","2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-[4-(methylsulfonyl)phenyl]ethanol",CS(=O)(=O)c1ccc(cc1)C(O)CN2C(=N)SC3=C2CCCC3,CS(=O)(=O)c1ccc(cc1)C(O)CN2C(=N)SC3=C2CCCC3,"InChI=1/C16H20N2O3S2/c1-23(20,21)12-8-6-11(7-9-12)14(19)10-18-13-4-2-3-5-15(13)22-16(18)17/h6-9,14,17,19H,2-5,10H2,1H3",C16H20N2O3S2,,,,,,JOBSHVWSLVXORP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.641,237-021-1,13587-25-2,Diammonium copper(2+) disulphate,diammonium copper(2+) disulphate,[NH4+].[NH4+].[Cu+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[Cu+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Cu.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2",Cu.2H3N.2H2O4S,,,,,,WAZDPVLDAHMNPK-UHFFFAOYSA-L,,,,,,,,,,,
100.033.645,237-025-3,13589-77-0,5-amino-2-phenylpyridazin-3(2H)-one,5-amino-2-phenylpyridazin-3(2H)-one,NC1=CC(=O)N(N=C1)c2ccccc2,NC1=CC(=O)N(N=C1)c2ccccc2,"InChI=1/C10H9N3O/c11-8-6-10(14)13(12-7-8)9-4-2-1-3-5-9/h1-7H,11H2",C10H9N3O,,,,,,FSMPZHMHKJEXDT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.652,237-033-7,13595-87-4,Dibismuth tris(tetraoxowolframate),dibismuth tris(tetraoxowolframate),[BiH3+3].[BiH3+3].O=[W-2](=O)(=O)=O.O=[W-2](=O)(=O)=O.O=[W-2](=O)(=O)=O,[BiH3+3].[BiH3+3].O=[W-2](=O)(=O)=O.O=[W-2](=O)(=O)=O.O=[W-2](=O)(=O)=O,"InChI=1/2Bi.12O.3W.6H/q2*+3;;;;;;;;;;;;;3*-2;;;;;;/r2BiH3.3O4W/c;;3*1-5(2,3)4/h2*1H3;;;/q2*+3;3*-2",Bi2O12W3,,,,,,AVODCZZWUCYEHG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.657,237-038-4,13596-21-9,Cobalt hydrogen phosphate,cobalt(2+) hydrogen phosphate,[Co+2].[O-]P(=O)([O-])[O-],[Co+2].[O-]P(=O)([O-])[O-],"InChI=1/Co.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-3",Co.H3O4P,,,,,,UQEXUNADTVCXEU-UHFFFAOYSA-K,,,,,,,,,,,
100.033.660,237-042-6,13596-35-5,Rhenium pentachloride,-,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Re+2],[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Re+2],InChI=1/5ClH.Re/h5*1H;/q;;;;;+2/p-5,Cl5Re,,,,,,YLAQQVFVVXRLRR-UHFFFAOYSA-I,,,,,,,,,,,
100.039.054,242-976-2,19342-01-9,"(R)-N,N,a-trimethylbenzylamine","N,N-dimethyl-1-phenylethanamine",C[C@@H](N(C)C)c1ccccc1,C[C@@H](N(C)C)c1ccccc1,"InChI=1/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3",C10H15N,,,,,,BVURNMLGDQYNAF-SECBINFHSA-N,,,,,,,,,,,
100.039.060,242-983-0,19353-21-0,"3,4-dimethylvaleraldehyde","3,4-dimethylpentanal",CC(C)C(C)CC=O,CC(C)C(C)CC=O,"InChI=1/C7H14O/c1-6(2)7(3)4-5-8/h5-7H,4H2,1-3H3",C7H14O,,,,,,SZBNDYYJXRXQHA-UHFFFAOYSA-N,,,,,,,,,,,
100.039.061,242-984-6,19353-86-7,"1,2,3,4-tetrahydro-6-nitronaphthalene","6-nitro-1,2,3,4-tetrahydronaphthalene",[O-][N+](=O)c1ccc2CCCCc2c1,[O-][N+](=O)c1ccc2CCCCc2c1,"InChI=1/C10H11NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2",C10H11NO2,,,,,,OMJAUAQKUSAPIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.066,242-989-3,19355-69-2,2-amino-2-methylpropiononitrile,2-amino-2-methylpropanenitrile,CC(C)(N)C#N,CC(C)(N)C#N,"InChI=1/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3",C4H8N2,,,,,,JQULXIOYDDCNGR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.070,242-994-0,19360-67-9,4-(carboxymethoxy)benzoic acid,4-(carboxymethoxy)benzoic acid,OC(=O)COc1ccc(cc1)C(=O)O,OC(=O)COc1ccc(cc1)C(=O)O,"InChI=1/C9H8O5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)",C9H8O5,,,,,,LABJFIBQJFPXHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.074,242-998-2,19370-34-4,1-sec-butyl-2-nitrobenzene,1-sec-butyl-2-nitrobenzene,CCC(C)c1ccccc1[N+](=O)[O-],CCC(C)c1ccccc1[N+](=O)[O-],"InChI=1/C10H13NO2/c1-3-8(2)9-6-4-5-7-10(9)11(12)13/h4-8H,3H2,1-2H3",C10H13NO2,,,,,,GMQQDASXGTUDPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.082,243-007-6,19378-51-9,3-(butylthio)propionaldehyde,3-(butylsulfanyl)propanal,CCCCSCCC=O,CCCCSCCC=O,"InChI=1/C7H14OS/c1-2-3-6-9-7-4-5-8/h5H,2-4,6-7H2,1H3",C7H14OS,,,,,,QUTRYMHYEIGSRX-UHFFFAOYSA-N,,,,,,,,,,,
100.039.083,243-008-1,19379-90-9,Benzoxonium chloride,"N-benzyl-N,N-bis(2-hydroxyethyl)dodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1,[Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1,"InChI=1/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1",C23H42NO2.Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11492,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.083,UUSQFLGKGQEVCM-UHFFFAOYSA-M,,,,,,,,,,,
100.039.085,243-010-2,19381-50-1,"Trisodium tris[5,6-dihydro-5-(hydroxyimino)-6-oxonaphthalene-2-sulphonato(2-)-N5,O6]ferrate(3-)",trisodium tris[6-(hydroxy-kappaO)-5-nitrosonaphthalene-2-sulfonato(2-)]ferrate(3-),[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc6ccc(O[Fe](Oc2ccc1cc(ccc1c2N=O)S([O-])(=O)=O)Oc4ccc3cc(ccc3c4N=O)S([O-])(=O)=O)c(N=O)c6cc5,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc6ccc(O[Fe](Oc2ccc1cc(ccc1c2N=O)S([O-])(=O)=O)Oc4ccc3cc(ccc3c4N=O)S([O-])(=O)=O)c(N=O)c6cc5,"InChI=1/3C10H7NO5S.Fe.3Na/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;;;;/h3*1-5,12H,(H,14,15,16);;;;/q;;;+3;3*+1/p-6",C30H15FeN3O15S3.3Na,,,,,,JMXROTHPANUTOJ-UHFFFAOYSA-H,,,,,,,,,,,
100.039.088,243-013-9,19387-83-8,"2-(chloromethyl)-5-(1,1-dimethylethyl)-m-xylene","5-tert-butyl-2-(chloromethyl)-1,3-dimethylbenzene",Cc1cc(cc(C)c1CCl)C(C)(C)C,Cc1cc(cc(C)c1CCl)C(C)(C)C,"InChI=1/C13H19Cl/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,8H2,1-5H3",C13H19Cl,,,,,,SELSXVIZHNFFRV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.000,238-517-0,14508-49-7,Chloropyrazine,2-chloropyrazine,Clc1cnccn1,Clc1cnccn1,InChI=1/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H,C4H3ClN2,,,,,,GELVZYOEQVJIRR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.091,236-416-6,13360-64-0,2-ethyl-5-methylpyrazine,2-ethyl-5-methylpyrazine,CCc1cnc(C)cn1,CCc1cnc(C)cn1,"InChI=1/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3",C7H10N2,,,,,,OXCKCFJIKRGXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.092,236-417-1,13360-65-1,"3-ethyl-2,5-dimethylpyrazine","3-ethyl-2,5-dimethylpyrazine",CCc1nc(C)cnc1C,CCc1nc(C)cnc1C,"InChI=1/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3",C8H12N2,,,,,,WHMWOHBXYIZFPF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.097,236-422-9,13361-31-4,Isobutyl cyanoacetate,isobutyl cyanoacetate,CC(C)COC(=O)CC#N,CC(C)COC(=O)CC#N,"InChI=1/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3",C7H11NO2,,,,,,HRGQEKKNLHJZGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.098,236-423-4,13361-32-5,Allyl cyanoacetate,allyl cyanoacetate,C=CCOC(=O)CC#N,C=CCOC(=O)CC#N,"InChI=1/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2",C6H7NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11255,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.098,WXKCRCGKCOKJEF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.102,236-428-1,13361-67-6,(dimethylamino)trimethylgermane,"N,N,1,1,1-pentamethylgermanamine",CN(C)[Ge](C)(C)C,CN(C)[Ge](C)(C)C,"InChI=1/C5H15GeN/c1-6(2,3)7(4)5/h1-5H3",C5H15GeN,,,,,,UYGWWKQRYFFLPH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.104,236-430-2,13362-75-9,(E)-2-[2-(3-pyridyl)vinyl]pyridine,2-(2-pyridin-3-ylvinyl)pyridine,C(=C\\c1ccccn1)/c2cccnc2,C(=C\c1ccccn1)/c2cccnc2,InChI=1/C12H10N2/c1-2-9-14-12(5-1)7-6-11-4-3-8-13-10-11/h1-10H,C12H10N2,,,,,,AUXDIUGCNUFQEM-VOTSOKGWSA-N,,,,,,,,,,,
100.033.112,236-439-1,13369-03-4,Methyl cyanoformimidate,methyl cyanidimidocarbonate,COC(=N)C#N,COC(=N)C#N,"InChI=1/C3H4N2O/c1-6-3(5)2-4/h5H,1H3",C3H4N2O,,,,,,YYKFOMDVFMMBGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.119,236-447-5,13372-77-5,"3,7-dimethylocta-2,6-dienal oxime","3,7-dimethylocta-2,6-dienal oxime",C/C(C)=C\\CCC(C)=CC=NO,C/C(C)=C\CCC(C)=CC=NO,"InChI=1/C10H17NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,7-8,12H,4,6H2,1-3H3",C10H17NO,,,,,,LXFKDMGMYAHNAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.122,236-450-1,13373-32-5,2-isopropyl-4-nitro-1H-imidazole,2-isopropyl-4-nitro-1H-imidazole,CC(C)c1nc(c[nH]1)[N+](=O)[O-],CC(C)c1nc(c[nH]1)[N+](=O)[O-],"InChI=1/C6H9N3O2/c1-4(2)6-7-3-5(8-6)9(10)11/h3-4H,1-2H3,(H,7,8)",C6H9N3O2,,,,,,SQZCZXRYOJJCDU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.124,236-452-2,13377-98-5,3-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)azo]-m-toluidino]propiononitrile,3-[(2-hydroxyethyl){4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl}amino]propanenitrile,Oc2cc(ccc2N=Nc1ccc(cc1C)N(CCC#N)CCO)[N+]([O-])=O,Oc2cc(ccc2N=Nc1ccc(cc1C)N(CCC#N)CCO)[N+]([O-])=O,"InChI=1/C18H19N5O4/c1-13-11-14(22(9-10-24)8-2-7-19)3-5-16(13)20-21-17-6-4-15(23(26)27)12-18(17)25/h3-6,11-12,24-25H,2,8-10H2,1H3",C18H19N5O4,,,,,,AOMPWZIIJWGZLI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.627,238-107-1,14235-86-0,Hydrargaphen,"mu-[3,3'-methylenedinaphthalene-2-sulfonato(2-)-kappaO](diphenyl)dimercury",O=S(=O)(O[Hg]c1ccccc1)c5cc6ccccc6cc5Cc2cc4ccccc4cc2S(=O)(=O)O[Hg]c3ccccc3,O=S(=O)(O[Hg]c1ccccc1)c5cc6ccccc6cc5Cc2cc4ccccc4cc2S(=O)(=O)O[Hg]c3ccccc3,"InChI=1/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2/rC33H24Hg2O6S2/c36-42(37,40-34-30-15-3-1-4-16-30)32-22-26-13-9-7-11-24(26)19-28(32)21-29-20-25-12-8-10-14-27(25)23-33(29)43(38,39)41-35-31-17-5-2-6-18-31/h1-20,22-23H,21H2",C33H24Hg2O6S2,,,,,,KDNVJBRRDKAHDA-UHFFFAOYSA-L,,,,,,,,,,,
100.031.451,234-610-5,12015-73-5,Calcium fluoride phosphate,-,[F-].[Ca+2].[O-]P(=O)([O-])[O-],[F-].[Ca+2].[O-]P(=O)([O-])[O-],"InChI=1/Ca.FH.H3O4P/c;;1-5(2,3)4/h;1H;(H3,1,2,3,4)/q+2;;/p-4",Ca5FO12P3,,,,,,MFLAROGHONQVRM-UHFFFAOYSA-J,,,,,,,,,,,
100.031.466,234-626-2,12017-71-9,"Cobalt, compound with yttrium (5:1)",cobalt - yttrium (5:1),[Co].[Co].[Co].[Co].[Co].[Y],[Co].[Co].[Co].[Co].[Co].[Y],InChI=1/5Co.Y/q5*+2;+3,Co.Y,,,,,,ZOOLFQVMRRSUPR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.473,240-138-0,16006-74-9,"4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate","4-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate",CCCCC1=C(OC(=O)c2cc(OC)c(OC)c(OC)c2)N(N(C1=O)c3ccccc3)c4ccccc4,CCCCC1=C(OC(=O)c2cc(OC)c(OC)c(OC)c2)N(N(C1=O)c3ccccc3)c4ccccc4,"InChI=1/C29H30N2O6/c1-5-6-17-23-27(32)30(21-13-9-7-10-14-21)31(22-15-11-8-12-16-22)28(23)37-29(33)20-18-24(34-2)26(36-4)25(19-20)35-3/h7-16,18-19H,5-6,17H2,1-4H3",C29H30N2O6,,,,,,LAVQJQXAUQINRC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.474,240-139-6,16008-36-9,Methyldesorphine,"6,17-dimethyl-6,7-didehydro-4,5-epoxymorphinan-3-ol",CN1CC[C@@]23[C@H]4CC=C(C)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,CN1CC[C@@]23[C@H]4CC=C(C)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35,"InChI=1/C18H21NO2/c1-10-3-5-12-13-9-11-4-6-14(20)16-15(11)18(12,17(10)21-16)7-8-19(13)2/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3",C18H21NO2,,,,,,CUFWYVOFDYVCPM-GGNLRSJOSA-N,,,,,,,,,,,
100.054.642,260-125-3,56358-10-2,N-(2-ethylhexyl)-1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]naphthalen-2-amine,N-(2-ethylhexyl)-1-({3-methyl-4-[(3-methylphenyl)diazenyl]phenyl}diazenyl)naphthalen-2-amine,Cc1cc(ccc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3NCC(CC)CCCC,Cc1cc(ccc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3NCC(CC)CCCC,"InChI=1/C32H37N5/c1-5-7-12-25(6-2)22-33-31-18-16-26-13-8-9-15-29(26)32(31)37-35-28-17-19-30(24(4)21-28)36-34-27-14-10-11-23(3)20-27/h8-11,13-21,25,33H,5-7,12,22H2,1-4H3",C32H37N5,,,,,,OKIYJTPWVUUWGC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.666,260-152-0,56396-10-2,4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxynaphthalene-2-carboxamide,3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide,COc3ccc(cc3N=Nc1c2ccccc2cc(C(N)=O)c1O)C(=O)Nc4ccccc4,COc3ccc(cc3N=Nc1c2ccccc2cc(C(N)=O)c1O)C(=O)Nc4ccccc4,"InChI=1/C25H20N4O4/c1-33-21-12-11-16(25(32)27-17-8-3-2-4-9-17)14-20(21)28-29-22-18-10-6-5-7-15(18)13-19(23(22)30)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)",C25H20N4O4,,,,,,LFFICOHZNUVGRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.667,260-153-6,56396-94-2,Bis[4-[2-hydroxy-3-(isopropylamino)propoxy]-2-methyl-1H-indole] sulphate,1-(isopropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol sulfate (salt),CC(C)NCC(O)COc1cccc2[nH]c(C)cc12.OS(=O)(=O)O,CC(C)NCC(O)COc1cccc2[nH]c(C)cc12.OS(=O)(=O)O,"InChI=1/C15H22N2O2.H2O4S/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14;1-5(2,3)4/h4-7,10,12,16-18H,8-9H2,1-3H3;(H2,1,2,3,4)",C15H22N2O2.1/2H2O4S,,,,,,JNCGMRYBFJADEW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.671,260-157-8,56405-37-9,2-methyl-3-(3-sulphonatopropyl)benzothiazolium,"3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",Cc1sc2ccccc2[n+]1CCCS(=O)(=O)[O-],Cc1sc2ccccc2[n+]1CCCS(=O)(=O)[O-],"InChI=1/C11H13NO3S2/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9/h2-3,5-6H,4,7-8H2,1H3",C11H13NO3S2,,,,,,XSEOLEIVLCYZQR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.672,260-158-3,56405-61-9,2-methyl-1-(3-sulphonatopropyl)pyridinium,3-(2-methylpyridinium-1-yl)propane-1-sulfonate,Cc1cccc[n+]1CCCS(=O)(=O)[O-],Cc1cccc[n+]1CCCS(=O)(=O)[O-],"InChI=1/C9H13NO3S/c1-9-5-2-3-6-10(9)7-4-8-14(11,12)13/h2-3,5-6H,4,7-8H2,1H3",C9H13NO3S,,,,,,MTCXCYYDFLRQJM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.673,260-159-9,56406-50-9,3-nitrobenzamidinium hydrochloride,3-nitrobenzenecarboximidamide,NC(=N)c1cccc(c1)[N+](=O)[O-],NC(=N)c1cccc(c1)[N+](=O)[O-],"InChI=1/C7H7N3O2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4H,(H3,8,9)",C7H7N3O2.ClH,,,,,,BAAYGBNLZPDGJS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.674,260-160-4,56408-81-2,"12,12,23,23-tetramethyl-2,5,8,11,13,16,19,22,24,27,30,33-dodecaoxa-12,23-disilatetratriacontane","12,12,23,23-tetramethyl-2,5,8,11,13,16,19,22,24,27,30,33-dodecaoxa-12,23-disilatetratriacontane",COCCOCCOCCO[Si](C)(C)OCCOCCOCCO[Si](C)(C)OCCOCCOCCOC,COCCOCCOCCO[Si](C)(C)OCCOCCOCCO[Si](C)(C)OCCOCCOCCOC,"InChI=1/C24H54O12Si2/c1-25-7-9-27-11-13-29-17-21-33-37(3,4)35-23-19-31-15-16-32-20-24-36-38(5,6)34-22-18-30-14-12-28-10-8-26-2/h7-24H2,1-6H3",C24H54O12Si2,,,,,,NTFILZVGGBFLNO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.679,260-166-7,56418-71-4,Ammonium hydroxymethanesulphonate,ammonium hydroxymethanesulfonate,[NH4+].OCS(=O)(=O)[O-],[NH4+].OCS(=O)(=O)[O-],"InChI=1/CH4O4S.H3N/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);1H3",CH4O4S.H3N,,,,,,DQCVNBJLXXRZLX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.958,238-471-1,14475-18-4,"Carbonic acid, neodymium salt",-,[Nd+3].[O-]C(=O)[O-],[Nd+3].[O-]C(=O)[O-],"InChI=1/CH2O3.Nd/c2-1(3)4;/h(H2,2,3,4);/q;+3/p-2",CH2O3.xNd,,,,,,MECGUWWYWKBWNN-UHFFFAOYSA-L,,,,,,,,,,,
100.034.959,238-472-7,14475-63-9,Zirconium tetrahydroxide,zirconium tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Zr+2].[Zr+2],[OH-].[OH-].[OH-].[OH-].[Zr+2].[Zr+2],InChI=1/4H2O.2Zr/h4*1H2;;/q;;;;2*+2/p-4,H4O4Zr,,,,,,FVJXPYBRIUBYFH-UHFFFAOYSA-J,,,,,,,,,,,
100.034.960,238-473-2,14476-30-3,"1,2,2-tribromopropane","1,2,2-tribromopropane",CC(Br)(Br)CBr,CC(Br)(Br)CBr,"InChI=1/C3H5Br3/c1-3(5,6)2-4/h2H2,1H3",C3H5Br3,,,,,,IELJYJRPJJILHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.962,238-475-3,14481-26-6,Dipotassium titanium oxide dioxalate,dipotassium bis[ethanedioato(2-)-kappaO~1~](oxo)titanate(2-),[K+].[K+].[O-]C(=O)C(=O)O[Ti](=O)OC(=O)C(=O)[O-],[K+].[K+].[O-]C(=O)C(=O)O[Ti](=O)OC(=O)C(=O)[O-],"InChI=1/2C2H2O4.2K.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;;/q;;2*+1;;+2/p-4/rC4H2O9Ti.2K/c5-1(6)3(9)12-14(11)13-4(10)2(7)8;;/h(H,5,6)(H,7,8);;/q;2*+1/p-2",C4O9Ti.2K,,,,,,UHWHMHPXHWHWPX-UHFFFAOYSA-J,,,,,,,,,,,
100.034.966,238-480-0,14482-97-4,"Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium dodecyl sulphate",-,[Na+].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,[Na+].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C16H30N2O3.C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-15-17-10-11-18(15,12-13-19)14-16(20)21;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h19H,2-14H2,1H3;2-12H2,1H3,(H,13,14,15);/q;;+1",C16H31N2O3.C12H25O4S.Na,,,,,,CBRIUKZILXTQDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.968,238-482-1,14483-57-9,3-(2-chloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid,3-(2-chloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid,Cc1onc(c2ccsc2Cl)c1C(=O)O,Cc1onc(c2ccsc2Cl)c1C(=O)O,"InChI=1/C9H6ClNO3S/c1-4-6(9(12)13)7(11-14-4)5-2-3-15-8(5)10/h2-3H,1H3,(H,12,13)",C9H6ClNO3S,,,,,,PJPKUIGUNDJSLO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.971,238-485-8,14484-69-6,Potassium tetrafluoroaluminate,potassium tetrafluoroaluminate(1-),[K+].F[Al-](F)(F)F,[K+].F[Al-](F)(F)F,"InChI=1/Al.4FH.K/h;4*1H;/q+3;;;;;+1/p-4/rAlF4.K/c2-1(3,4)5;/q-1;+1",AlF4.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14610,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.971,SKFYTVYMYJCRET-UHFFFAOYSA-J,,,,,,,,,,,
100.036.467,240-131-2,15993-42-7,N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide,N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide,COc2ccc(Cl)cc2NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O,COc2ccc(Cl)cc2NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O,"InChI=1/C18H17ClN4O6/c1-10(24)17(18(25)20-14-8-11(19)4-7-15(14)28-2)22-21-13-6-5-12(23(26)27)9-16(13)29-3/h4-9,17H,1-3H3,(H,20,25)",C18H17ClN4O6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10410,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.467,AYOFXUHULUCJBF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.471,240-135-4,16002-29-2,"Dimethyl 2,2'-thiobisacetate","dimethyl 2,2'-sulfanediyldiacetate",COC(=O)CSCC(=O)OC,COC(=O)CSCC(=O)OC,"InChI=1/C6H10O4S/c1-9-5(7)3-11-4-6(8)10-2/h3-4H2,1-2H3",C6H10O4S,,,,,,ZQUQLLPRRJVUES-UHFFFAOYSA-N,,,,,,,,,,,
100.036.472,240-137-5,16003-16-0,Methyl (2-furylthio)acetate,methyl (2-furylsulfanyl)acetate,COC(=O)CSc1occc1,COC(=O)CSc1occc1,"InChI=1/C7H8O3S/c1-9-6(8)5-11-7-3-2-4-10-7/h2-4H,5H2,1H3",C7H8O3S,,,,,,PZXUQUVMTNDLBH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.080,260-606-8,57170-07-7,Dipotassium dodec-2-enylsuccinate,dipotassium 2-dodec-2-en-1-ylsuccinate,[K+].[K+].[O-]C(=O)CC(CC=CCCCCCCCCC)C([O-])=O,[K+].[K+].[O-]C(=O)CC(CC=CCCCCCCCCC)C([O-])=O,"InChI=1/C16H28O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;;/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2",C16H28O4.2K,,,,,,AQWHEUOSFAMWCV-UHFFFAOYSA-L,,,,,,,,,,,
100.055.081,260-607-3,57177-89-6,Benzyl L-argininate,benzyl L-argininate,N[C@@H](CCCNC(=N)N)C(=O)OCc1ccccc1,N[C@@H](CCCNC(=N)N)C(=O)OCc1ccccc1,"InChI=1/C13H20N4O2/c14-11(7-4-8-17-13(15)16)12(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H4,15,16,17)",C13H20N4O2,,,,,,JSCSSJKVVXQJON-NSHDSACASA-N,,,,,,,,,,,
100.055.091,260-618-3,57206-89-0,N-(4-chlorophenyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide,N-(4-chlorophenyl)-2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanamide,Clc2ccc(NC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(C)=O)cc2,Clc2ccc(NC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(C)=O)cc2,"InChI=1/C17H15ClN4O4/c1-10-3-8-14(15(9-10)22(25)26)20-21-16(11(2)23)17(24)19-13-6-4-12(18)5-7-13/h3-9,16H,1-2H3,(H,19,24)",C17H15ClN4O4,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17729,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.091,DZPAQLHIDOYCNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.094,260-622-5,57207-07-5,"4-[[2-[(4-methyl-2-nitrophenyl)azo]-1,3-dioxobutyl]amino]benzenesulphonic acid",4-({2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanoyl}amino)benzenesulfonic acid,OS(=O)(=O)c1ccc(cc1)NC(=O)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C(C)=O,OS(=O)(=O)c1ccc(cc1)NC(=O)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C(C)=O,"InChI=1/C17H16N4O7S/c1-10-3-8-14(15(9-10)21(24)25)19-20-16(11(2)22)17(23)18-12-4-6-13(7-5-12)29(26,27)28/h3-9,16H,1-2H3,(H,18,23)(H,26,27,28)",C17H16N4O7S,,,,,,GXGINBOQJUFKAI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.097,260-625-1,57213-69-1,"[(3,5,6-trichloro-2-pyridyl)oxy]acetic acid, compound with triethylamine (1:1)","[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid - N,N-diethylethanamine (1:1)",CCN(CC)CC.OC(=O)COc1nc(Cl)c(Cl)cc1Cl,CCN(CC)CC.OC(=O)COc1nc(Cl)c(Cl)cc1Cl,"InChI=1/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3",C7H4Cl3NO3.C6H15N,,,,,,ROKVVMOXSZIDEG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.099,260-627-2,57214-69-4,"2,5-diisooctylhydroquinone","2,6-bis(6-methylheptyl)benzene-1,4-diol",CC(C)CCCCCc1cc(O)cc(CCCCCC(C)C)c1O,CC(C)CCCCCc1cc(O)cc(CCCCCC(C)C)c1O,"InChI=1/C22H38O2/c1-17(2)11-7-5-9-13-19-15-21(23)16-20(22(19)24)14-10-6-8-12-18(3)4/h15-18,23-24H,5-14H2,1-4H3",C22H38O2,,,,,,ZIASSHGVJYKYSN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.101,260-629-3,57215-97-1,Magnesium 5-aminonaphthalene-1-sulphonate,magnesium bis(5-aminonaphthalene-1-sulfonate),[Mg+2].Nc1cccc2c(cccc12)S(=O)(=O)[O-].Nc3cccc4c(cccc34)S(=O)(=O)[O-],[Mg+2].Nc1cccc2c(cccc12)S(=O)(=O)[O-].Nc3cccc4c(cccc34)S(=O)(=O)[O-],"InChI=1/2C10H9NO3S.Mg/c2*11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h2*1-6H,11H2,(H,12,13,14);/q;;+2/p-2",C10H9NO3S.1/2Mg,,,,,,HIELJZNVJPPPNU-UHFFFAOYSA-L,,,,,,,,,,,
100.055.107,260-636-1,57231-32-0,"(R)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol","1-(3,4-dihydroxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol",CN1CCc2cc(O)c(O)cc2[C@H]1Cc3ccc(O)c(O)c3,CN1CCc2cc(O)c(O)cc2[C@H]1Cc3ccc(O)c(O)c3,"InChI=1/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3",C17H19NO4,,,,,,VHRSWCTVFBWHKE-CYBMUJFWSA-N,,,,,,,,,,,
100.055.108,260-637-7,57232-94-7,[1-ethylbenz[cd]indol-2(1H)-ylidene]malononitrile,(1-ethylbenzo[cd]indol-2(1H)-ylidene)malononitrile,CCN1C(=C(C#N)C#N)c2cccc3cccc1c23,CCN1C(=C(C#N)C#N)c2cccc3cccc1c23,"InChI=1/C16H11N3/c1-2-19-14-8-4-6-11-5-3-7-13(15(11)14)16(19)12(9-17)10-18/h3-8H,2H2,1H3",C16H11N3,,,,,,RSMGAXDNPYPPHB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.109,260-638-2,57232-98-1,"N-[[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl]methyl]-2-chloroacetamide","N-{4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]benzyl}-2-chloroacetamide",Nc1c(Oc2ccc(CNC(=O)CCl)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Oc2ccc(CNC(=O)CCl)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C23H17ClN2O5/c24-10-18(28)26-11-12-5-7-13(8-6-12)31-17-9-16(27)19-20(21(17)25)23(30)15-4-2-1-3-14(15)22(19)29/h1-9,27H,10-11,25H2,(H,26,28)",C23H17ClN2O5,,,,,,XYJMEPSKBLBCEX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.110,260-639-8,57233-04-2,"N,2-bis(isopropyl)-5-methylcyclohexanecarboxamide","N,2-diisopropyl-5-methylcyclohexanecarboxamide",CC(C)NC(=O)C1CC(C)CCC1C(C)C,CC(C)NC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C14H27NO/c1-9(2)12-7-6-11(5)8-13(12)14(16)15-10(3)4/h9-13H,6-8H2,1-5H3,(H,15,16)",C14H27NO,,,,,,MTOKWHLXXJOHAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.092,243-018-6,19393-92-1,"1-bromo-2,6-dichlorobenzene","2-bromo-1,3-dichlorobenzene",Clc1cccc(Cl)c1Br,Clc1cccc(Cl)c1Br,InChI=1/C6H3BrCl2/c7-6-4(8)2-1-3-5(6)9/h1-3H,C6H3BrCl2,,,,,,UWOIDOQAQPUVOH-UHFFFAOYSA-N,,,,,,,,,,,
100.039.093,243-019-1,19395-39-2,a-phenylpiperidine-2-acetamide,2-phenyl-2-piperidin-2-ylacetamide,NC(=O)C(C1CCCCN1)c2ccccc2,NC(=O)C(C1CCCCN1)c2ccccc2,"InChI=1/C13H18N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-3,6-7,11-12,15H,4-5,8-9H2,(H2,14,16)",C13H18N2O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7774,https://echa.europa.eu/substance-information/-/substanceinfo/100.039.093,LJLMNWPXAYKPGV-UHFFFAOYSA-N,Positive,EQ358401|EQ358402|EQ358403|EQ358404|EQ358405|EQ358406|EQ358407|EQ358408|EQ358409,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,84.0807:219.1492:136.0757|84.0807:219.1493:136.0757|84.0807:219.1492:56.0495|84.0807:56.0495:91.0542|84.0807:56.0495:91.0542|84.0807:56.0495:55.0542|84.0807:56.0495:55.0543|56.0495:84.0808:55.0543|56.0495:84.0808:55.0543,Eawag,,,,,
100.039.094,243-020-7,19395-41-6,a-phenylpiperidine-2-acetic acid,phenyl(piperidin-2-yl)acetic acid,OC(=O)C(C1CCCCN1)c2ccccc2,OC(=O)C(C1CCCCN1)c2ccccc2,"InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)",C13H17NO2,,,,,,INGSNVSERUZOAK-UHFFFAOYSA-N,Positive/Negative,EA070101|EA070102|EA070103|EA070104|EA070105|EA070106|EA070107|EA070108|EA070109|EA070110|EA070111|EA070112|EA070113|EA070114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,84.0809:174.1279|220.1335:84.0808|220.1334:84.0808:174.1277|84.0809:220.1333:174.1277|84.0809:174.1279:56.0494|84.0808:174.1277:91.0542|84.0809:91.0542:129.0697|220.1334:84.0808|220.1334:84.0808:174.1277|84.0809:220.1333:174.1278|84.0809:174.1278:220.1336|84.0809:174.1278:91.0543|84.0809:91.0543:56.0495|84.0809:174.1278:67.0543,Eawag,EA070151|EA070152|EA070153|EA070158|EA070159,[M-H]-,CID35|HCD15|HCD30|HCD15|HCD30,174.1289|174.1295|174.1283|174.1289|174.1285,Eawag
100.037.925,241-734-3,17741-63-8,"N,N'-[6,13-diacetamido-2,9-diethoxy-3,10-triphenodioxazinediyl]bis(benzamide)","N,N'-(6,13-diacetamido-2,9-diethoxy[1,4]benzoxazino[2,3-b]phenoxazine-3,10-diyl)dibenzamide",CCOc1cc2N=C3C(=C4Oc5cc(NC(=O)c6ccccc6)c(OCC)cc5N=C4C(=C3Oc2cc1NC(=O)c7ccccc7)NC(=O)C)NC(=O)C,CCOc1cc2N=C3C(=C4Oc5cc(NC(=O)c6ccccc6)c(OCC)cc5N=C4C(=C3Oc2cc1NC(=O)c7ccccc7)NC(=O)C)NC(=O)C,"InChI=1/C40H34N6O8/c1-5-51-29-17-27-31(19-25(29)45-39(49)23-13-9-7-10-14-23)53-37-34(42-22(4)48)36-38(33(35(37)43-27)41-21(3)47)54-32-20-26(30(52-6-2)18-28(32)44-36)46-40(50)24-15-11-8-12-16-24/h7-20H,5-6H2,1-4H3,(H,41,47)(H,42,48)(H,45,49)(H,46,50)",C40H34N6O8,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16424,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.925,RVIBUAHWQKVQEF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.926,241-735-9,17741-86-5,1-(hydroxymethyl)-3-(methoxymethyl)urea,1-(hydroxymethyl)-3-(methoxymethyl)urea,COCNC(=O)NCO,COCNC(=O)NCO,"InChI=1/C4H10N2O3/c1-9-3-6-4(8)5-2-7/h7H,2-3H2,1H3,(H2,5,6,8)",C4H10N2O3,,,,,,DATBHDRXGLZCHA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.931,241-741-1,17746-05-3,Undecanoyl chloride,undecanoyl chloride,CCCCCCCCCCC(=O)Cl,CCCCCCCCCCC(=O)Cl,"InChI=1/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3",C11H21ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16825,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.931,JUKPJGZUFHCZQI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.932,241-742-7,17747-43-2,3-pyridyl acetate,pyridin-3-yl acetate,CC(=O)Oc1cccnc1,CC(=O)Oc1cccnc1,"InChI=1/C7H7NO2/c1-6(9)10-7-3-2-4-8-5-7/h2-5H,1H3",C7H7NO2,,,,,,QZDWODWEESGPLC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.938,241-749-5,17766-26-6,"1,3,5-triazine-2,4,6(1H,3H,5H)-trithione, trisodium salt","1,3,5-triazine-2,4,6(1H,3H,5H)-trithione, trisodium salt",[Na+].[Na+].[Na+].S=C1NC(=S)NC(=S)N1,[Na+].[Na+].[Na+].S=C1NC(=S)NC(=S)N1,"InChI=1/C3H3N3S3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1",C3H3N3S3.3Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5269,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.938,NYVOYAFUSJONHU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.942,241-753-7,17772-51-9,3-hydroxy-2-(3-hydroxy-2-quinolyl)-1H-inden-1-one,3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1H-inden-1-one,OC1=C(C(=O)c2ccccc12)c3nc4ccccc4cc3O,OC1=C(C(=O)c2ccccc12)c3nc4ccccc4cc3O,"InChI=1/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H",C18H11NO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10225,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.942,FZEHABHMMOXCEI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.944,241-755-8,17773-18-1,"Tris(2-hydroxyethyl) benzene-1,2,4-tricarboxylate","tris(2-hydroxyethyl) benzene-1,2,4-tricarboxylate",OCCOC(=O)c1ccc(C(=O)OCCO)c(c1)C(=O)OCCO,OCCOC(=O)c1ccc(C(=O)OCCO)c(c1)C(=O)OCCO,"InChI=1/C15H18O9/c16-3-6-22-13(19)10-1-2-11(14(20)23-7-4-17)12(9-10)15(21)24-8-5-18/h1-2,9,16-18H,3-8H2",C15H18O9,,,,,,RKRLWZJUPQYOQF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.950,241-762-6,17784-47-3,Acridinium chloride,acridinium chloride,[Cl-].c1ccc2[nH+]c3ccccc3cc2c1,[Cl-].c1ccc2[nH+]c3ccccc3cc2c1,InChI=1/C13H9N.ClH/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H,C13H9N.ClH,,,,,,XUESTGHCVFYOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.954,241-766-8,17789-14-9,"2-(m-bromophenyl)-1,3-dioxolane","2-(3-bromophenyl)-1,3-dioxolane",Brc1cccc(c1)C2OCCO2,Brc1cccc(c1)C2OCCO2,"InChI=1/C9H9BrO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2",C9H9BrO2,,,,,,VYPYKCPWNPPBBX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.955,241-767-3,17790-93-1,2-isopropyl-1H-indole,2-isopropyl-1H-indole,CC(C)c1cc2ccccc2[nH]1,CC(C)c1cc2ccccc2[nH]1,"InChI=1/C11H13N/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-8,12H,1-2H3",C11H13N,,,,,,XSRLHGSAMGVDJU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.962,241-775-7,17804-35-2,Benomyl,methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate,CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12,CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12,"InChI=1/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)",C14H18N4O3,,,,,,RIOXQFHNBCKOKP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.965,241-778-3,17809-07-3,"4-[(2,4-dinitrophenyl)azo]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide","4-[(2,4-dinitrophenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxy-2-naphthamide",CCOc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c3O,CCOc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c3O,"InChI=1/C25H19N5O7/c1-2-37-22-10-6-5-9-20(22)26-25(32)18-13-15-7-3-4-8-17(15)23(24(18)31)28-27-19-12-11-16(29(33)34)14-21(19)30(35)36/h3-14,31H,2H2,1H3,(H,26,32)",C25H19N5O7,,,,,,DDGULPZDBLQQIL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.475,240-140-1,16009-13-5,Hemin,"chloro[3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-diyl-kappa~2~N~22~,N~24~)dipropanoato(2-)]iron",OC(=O)CC\\C5=C(/C)\\C1=C\\C6=N\\C(=C/c3n2[Fe](Cl)N1C5=C\\C4=N\\C(=C/c2c(C)c3C=C)C(\\C)=C4\\CCC(O)=O)C(\\C)=C6\\C=C,OC(=O)CC\C5=C(/C)\C1=C\C6=N\C(=C/c3n2[Fe](Cl)N1C5=C\C4=N\C(=C/c2c(C)c3C=C)C(\C)=C4\CCC(O)=O)C(\C)=C6\C=C,"InChI=1/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/rC34H32ClFeN4O4/c1-7-21-17(3)26-14-31-22(8-2)19(5)29-13-25-18(4)23(9-11-33(41)42)28(38-25)16-32-24(10-12-34(43)44)20(6)30(15-27(21)37-26)40(32)36(35)39(29)31/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,41,42)(H,43,44)",C34H30ClFeN4O4.2H,,,,,,BTIJJDXEELBZFS-QDUVMHSLSA-K,,,,,,,,,,,
100.036.480,240-145-9,16011-90-8,4-aminobutyronitrile monohydrochloride,4-aminobutanenitrile hydrochloride,Cl.NCCCC#N,Cl.NCCCC#N,"InChI=1/C4H8N2.ClH/c5-3-1-2-4-6;/h1-3,5H2;1H",C4H8N2.ClH,,,,,,BPGZMPVIXFJEDB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.482,240-148-5,16011-97-5,"N,N'-dimethylbutane-1,4-diamine","N,N'-dimethylbutane-1,4-diamine",CNCCCCNC,CNCCCCNC,"InChI=1/C6H16N2/c1-7-5-3-4-6-8-2/h7-8H,3-6H2,1-2H3",C6H16N2,,,,,,CZPRYVBLOUZRGD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.484,240-150-6,16013-44-8,4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid,4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-2-naphthoic acid,Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C(O)=O)c2O)S(O)(=O)=O,Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C(O)=O)c2O)S(O)(=O)=O,"InChI=1/C18H13ClN2O6S/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)",C18H13ClN2O6S,,,,,,LZNMMJSXOXXHFD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.495,240-162-1,16024-58-1,[2-(2-methoxyethoxy)ethoxy]acetic acid,[2-(2-methoxyethoxy)ethoxy]acetic acid,COCCOCCOCC(=O)O,COCCOCCOCC(=O)O,"InChI=1/C7H14O5/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H,8,9)",C7H14O5,,,,,,YHBWXWLDOKIVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.497,240-164-2,16024-82-1,Methyl 2-isothiocyanatobenzoate,methyl 2-isothiocyanatobenzoate,COC(=O)c1ccccc1N=C=S,COC(=O)c1ccccc1N=C=S,"InChI=1/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3",C9H7NO2S,,,,,,UNXVHBOJSCWVCD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.499,240-166-3,16026-16-7,Calcium bis[(Z)-N-methyl-N-(1-oxo-9-octadecenyl)aminoacetate],calcium bis{[methyl(oleoyl)amino]acetate},CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O[Ca]OC(=O)CN(C)C(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O[Ca]OC(=O)CN(C)C(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/2C21H39NO3.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h2*10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;;+2/p-2",C21H39NO3.1/2Ca,,,,,,YUYLGIXKGUIIBR-UHFFFAOYSA-L,,,,,,,,,,,
100.037.750,241-541-4,17564-64-6,N-(chloromethyl)phthalimide,"2-(chloromethyl)-1H-isoindole-1,3(2H)-dione",ClCN1C(=O)c2ccccc2C1=O,ClCN1C(=O)c2ccccc2C1=O,"InChI=1/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2",C9H6ClNO2,,,,,,JKGLRGGCGUQNEX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.759,241-551-9,17579-99-6,Methyltriphenoxyphosphonium iodide,methyl(triphenoxy)phosphonium iodide,[I-].C[P+](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,[I-].C[P+](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,"InChI=1/C19H18O3P.HI/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1",C19H18O3P.I,,,,,,VKTOBGBZBCELGC-UHFFFAOYSA-M,,,,,,,,,,,
100.037.760,241-552-4,17584-12-2,"5,6-dimethyl-1,2,4-triazin-3-ylamine","5,6-dimethyl-1,2,4-triazin-3-amine",Cc1nnc(N)nc1C,Cc1nnc(N)nc1C,"InChI=1/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)",C5H8N4,,,,,,UIKGLXJNZXSPGV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.763,241-556-6,17587-22-3,"6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione","6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione",CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F,CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3",C10H11F7O2,,,,,,SQNZLBOJCWQLGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.768,241-561-3,17592-07-3,"(3ß,6E)-9,10-secocholesta-5(10),6,8-trien-3-ol","9,10-secocholesta-5(10),6,8-trien-3-ol",O[C@@H]3C/C(C=C\\C2=C\\CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)=C(/C)CC3,O[C@@H]3C/C(C=C\C2=C\CC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)=C(/C)CC3,"InChI=1/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3",C27H44O,,,,,,YUGCAAVRZWBXEQ-RWDMXNMGSA-N,,,,,,,,,,,
100.037.769,241-562-9,17593-70-3,Chromium acetate,chromium(2+) diacetate,[Cr+2].CC(=O)[O-].CC(=O)[O-],[Cr+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Cr/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.xCr,,,,,,LRCIYVMVWAMTKX-UHFFFAOYSA-L,,,,,,,,,,,
100.037.771,241-565-5,17597-96-5,(hexyloxy)acetaldehyde,(hexyloxy)acetaldehyde,CCCCCCOCC=O,CCCCCCOCC=O,"InChI=1/C8H16O2/c1-2-3-4-5-7-10-8-6-9/h6H,2-5,7-8H2,1H3",C8H16O2,,,,,,NNBJGVGKBIFRHE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.012,238-530-1,14519-17-6,Magnesium bromate,magnesium dibromate,[Mg+2].[O-]Br(=O)=O.[O-]Br(=O)=O,[Mg+2].[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/2BrHO3.Mg/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",BrHO3.1/2Mg,,,,,,RNUHOKZSYYKPPI-UHFFFAOYSA-L,,,,,,,,,,,
100.034.972,238-486-3,14485-20-2,Lithium tetraphenylborate(1-),lithium tetraphenylborate(1-),[Li+].c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4,[Li+].c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20B.Li/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",C24H20B.Li,,,,,,FTYODSBVKDFUJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.975,238-490-5,14486-19-2,Cadmium tetrafluoroborate,cadmium ditetrafluoroborate,[Cd+2].F[B-](F)(F)F.F[B-](F)(F)F,[Cd+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Cd/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Cd,,,,,,NXOFSPIMFJTFSE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.980,238-495-2,14488-60-9,Zinc azelate,zinc azelaate,[Zn+2].[O-]C(=O)CCCCCCCC(=O)[O-],[Zn+2].[O-]C(=O)CCCCCCCC(=O)[O-],"InChI=1/C9H16O4.Zn/c10-8(11)6-4-2-1-3-5-7-9(12)13;/h1-7H2,(H,10,11)(H,12,13);/q;+2/p-2",C9H16O4.Zn,,,,,,AXPCNWCNKKHVKH-UHFFFAOYSA-L,,,,,,,,,,,
100.034.983,238-498-9,14490-05-2,7-methyl-1H-indole-3-ethylamine,2-(7-methyl-1H-indol-3-yl)ethanamine,Cc1cccc2c(CCN)c[nH]c12,Cc1cccc2c(CCN)c[nH]c12,"InChI=1/C11H14N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5-6,12H2,1H3",C11H14N2,,,,,,SGGBZKQTWMKXHD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.984,238-499-4,14491-66-8,Dioctyl succinate,dioctyl succinate,CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC,"InChI=1/C20H38O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h3-18H2,1-2H3",C20H38O4,,,,,,KWABLUYIOFEZOY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.995,238-511-8,14507-36-9,Nickel bis(phosphinate),nickel(2+) bis(phosphinate),[Ni+2].[O-]P=O.[O-]P=O,[Ni+2].[O-]P=O.[O-]P=O,"InChI=1/Ni.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",H3O2P.1/2Ni,,,,,,XXSPKSHUSWQAIZ-UHFFFAOYSA-L,,,,,,,,,,,
100.034.999,238-516-5,14508-12-4,"16-acetylandrosta-4,16-dien-3-one","16-acetylandrosta-4,16-dien-3-one",CC(=O)C1=C[C@@]2(C)CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2C1,CC(=O)C1=C[C@@]2(C)CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2C1,"InChI=1/C21H28O2/c1-13(22)14-10-19-17-5-4-15-11-16(23)6-9-21(15,3)18(17)7-8-20(19,2)12-14/h11-12,17-19H,4-10H2,1-3H3",C21H28O2,,,,,,CCRSVRNLGHVPMG-IFLJBQAJSA-N,,,,,,,,,,,
100.037.472,241-236-6,17196-12-2,Chlorodimethyloct-7-en-1-ylsilane,chloro(dimethyl)oct-7-en-1-ylsilane,C[Si](C)(Cl)CCCCCCC=C,C[Si](C)(Cl)CCCCCCC=C,"InChI=1/C10H21ClSi/c1-4-5-6-7-8-9-10-12(2,3)11/h4H,1,5-10H2,2-3H3",C10H21ClSi,,,,,,HLLCZAYJBZAXFU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.473,241-237-1,17196-50-8,"N2,N2-dimethyl-N6-palmitoyl-DL-lysine","N~2~,N~2~-dimethyl-N~6~-palmitoyl-L-lysine",CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,"InChI=1/C24H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-21-18-17-19-22(24(28)29)26(2)3/h22H,4-21H2,1-3H3,(H,25,27)(H,28,29)",C24H48N2O3,,,,,,CEHMUNRRTVABKG-QFIPXVFZSA-N,,,,,,,,,,,
100.037.476,241-240-8,17199-29-0,D-2-hydroxy-2-phenylacetic acid,hydroxy(phenyl)acetic acid,OC(C(=O)O)c1ccccc1,OC(C(=O)O)c1ccccc1,"InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)",C8H8O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16284,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.476,IWYDHOAUDWTVEP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.492,241-258-6,17215-44-0,"2,2',4,4',6,6'-hexanitro[1,1'-biphenyl]-3,3'-diamine","2,2',4,4',6,6'-hexanitrobiphenyl-3,3'-diamine",Nc1c(cc(c(c2c(cc(c(N)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Nc1c(cc(c(c2c(cc(c(N)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H6N8O12/c13-9-5(17(25)26)1-3(15(21)22)7(11(9)19(29)30)8-4(16(23)24)2-6(18(27)28)10(14)12(8)20(31)32/h1-2H,13-14H2",C12H6N8O12,,,,,,QTYYIZYAWHBAHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.495,241-261-2,17222-56-9,"1,1-diphenyloctan-1-ol","1,1-diphenyloctan-1-ol",CCCCCCCC(O)(c1ccccc1)c2ccccc2,CCCCCCCC(O)(c1ccccc1)c2ccccc2,"InChI=1/C20H26O/c1-2-3-4-5-12-17-20(21,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-16,21H,2-5,12,17H2,1H3",C20H26O,,,,,,YYJLLMXLZZGCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.498,241-264-9,17228-64-7,2-chloro-6-methoxypyridine,2-chloro-6-methoxypyridine,COc1cccc(Cl)n1,COc1cccc(Cl)n1,"InChI=1/C6H6ClNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3",C6H6ClNO,,,,,,VAVGOGHLNAJECD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.501,233-565-9,10236-16-5,"[R-[R*,R*-(E)]]-3,7,11,15-tetramethylhexadec-2-enyl acetate","3,7,11,15-tetramethylhexadec-2-en-1-yl acetate",CC(C)CCCC(C)CCCC(C)CCCC(=CCOC(=O)C)C,CC(C)CCCC(C)CCCC(C)CCCC(=CCOC(=O)C)C,"InChI=1/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3",C22H42O2,,,,,,JIGCTXHIECXYRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.502,233-566-4,10236-47-2,"7-(2-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone","5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",Oc1ccc(cc1)C2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O,Oc1ccc(cc1)C2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O,"InChI=1/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3",C27H32O14,,,,,,DFPMSGMNTNDNHN-JJLSSNRUSA-N,,,,,,,,,,,
100.055.114,260-644-5,57244-53-8,"1,1,3,3,4,6-hexamethylindan-5-ol","1,1,3,3,4,6-hexamethylindan-5-ol",Cc1cc2c(c(C)c1O)C(C)(C)CC2(C)C,Cc1cc2c(c(C)c1O)C(C)(C)CC2(C)C,"InChI=1/C15H22O/c1-9-7-11-12(10(2)13(9)16)15(5,6)8-14(11,3)4/h7,16H,8H2,1-6H3",C15H22O,,,,,,JNNVYXVBGLWKKN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.413,236-770-1,13477-62-8,Tetrahydro-2-isobutyl-4-methyl-2H-pyran,2-isobutyl-4-methyltetrahydro-2H-pyran,CC(C)CC1CC(C)CCO1,CC(C)CC1CC(C)CCO1,"InChI=1/C10H20O/c1-8(2)6-10-7-9(3)4-5-11-10/h8-10H,4-7H2,1-3H3",C10H20O,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7042,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.413,LETLQGKRPMMKKC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.414,236-771-7,13477-70-8,Trinickel bis(arsenate),trinickel bis(arsenate),[Ni+2].[Ni+2].[Ni+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],[Ni+2].[Ni+2].[Ni+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],"InChI=1/2AsH3O4.3Ni/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",AsH3O4.3/2Ni,,,,,,YWLMLDISGOHLFG-UHFFFAOYSA-H,,,,,,,,,,,
100.033.427,236-785-3,13481-70-4,"2,6-dichloro-m-cresol","2,6-dichloro-3-methylphenol",Cc1ccc(Cl)c(O)c1Cl,Cc1ccc(Cl)c(O)c1Cl,"InChI=1/C7H6Cl2O/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3",C7H6Cl2O,,,,,,SXHLRMKATYCFRY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.429,236-787-4,13482-06-9,N-(3-aminopropyl)myristamide,N-(3-aminopropyl)tetradecanamide,CCCCCCCCCCCCCC(=O)NCCCN,CCCCCCCCCCCCCC(=O)NCCCN,"InChI=1/C17H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(20)19-16-13-15-18/h2-16,18H2,1H3,(H,19,20)",C17H36N2O,,,,,,OTCJNNORZZUDIL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.433,236-792-1,13483-52-8,1-amino-4-(phenylthio)anthraquinone,"1-amino-4-(phenylsulfanyl)-9,10-anthraquinone",Nc1ccc(Sc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,Nc1ccc(Sc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO2S/c21-15-10-11-16(24-12-6-2-1-3-7-12)18-17(15)19(22)13-8-4-5-9-14(13)20(18)23/h1-11H,21H2",C20H13NO2S,,,,,,LTOKWJHRFGVTLE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.445,236-806-6,13491-79-7,2-tert-butylcyclohexanol,2-tert-butylcyclohexanol,CC(C)(C)C1CCCCC1O,CC(C)(C)C1CCCCC1O,"InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,DLTWBMHADAJAAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.450,236-811-3,13494-07-0,"3,5-dimethylcyclopentane-1,2-dione","3,5-dimethylcyclopentane-1,2-dione",CC1CC(C)C(=O)C1=O,CC1CC(C)C(=O)C1=O,"InChI=1/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3",C7H10O2,,,,,,MIDXCONKKJTLDX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.451,236-812-9,13494-08-1,"3-ethylcyclopentane-1,2-dione","3-ethylcyclopentane-1,2-dione",CCC1CCC(=O)C1=O,CCC1CCC(=O)C1=O,"InChI=1/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h5H,2-4H2,1H3",C7H10O2,,,,,,RRVYBPVLSILURP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.459,236-821-8,13498-06-1,Neodymium(3+) perchlorate,neodymium triperchlorate,[Nd+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Nd+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/3ClHO4.Nd/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ClHO4.1/3Nd,,,,,,HBKMAYJLXKBOER-UHFFFAOYSA-K,,,,,,,,,,,
100.031.195,234-328-2,11103-57-4,Vitamin A,retinol,C\\C(=C/CO)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3",-,,,,,,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,,,,,,,,,,,
100.031.196,234-329-8,11103-86-9,Potassium hydroxyoctaoxodizincatedichromate(1-),-,[OH-].[K+].[Zn+2].[Zn+2].[O-][Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)[O-],[OH-].[K+].[Zn+2].[Zn+2].[O-][Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)[O-],"InChI=1/2Cr.K.H2O.8O.2Zn/h;;;1H2;;;;;;;;;;/q;;+1;;;;;;4*-1;2*+2/p-1/r2CrO4.K.H2O.2Zn/c2*2-1(3,4)5;;;;/h;;;1H2;;/q2*-2;+1;;2*+2/p-1",Cr2HO9Zn2.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10091,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.196,GQKCRUJOPUHISR-UHFFFAOYSA-M,,,,,,,,,,,
100.031.197,234-330-3,11104-38-4,Vitamin K1,"2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1,4-naphthoquinone",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CC\\C2=C(/C)C(=O)c1ccccc1C2=O,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CC\C2=C(/C)C(=O)c1ccccc1C2=O,"InChI=1/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3",-,,,,,,MBWXNTAXLNYFJB-DNQXCXABSA-N,,,,,,,,,,,
100.031.205,234-339-2,11106-54-0,4-butyl-4'-methoxyazoxybenzene,(4-butylphenyl)(4-methoxyphenyl)diazene oxide,CCCCc1ccc(cc1)N(=O)=Nc2ccc(OC)cc2,CCCCc1ccc(cc1)N(=O)=Nc2ccc(OC)cc2,"InChI=1/C17H20N2O2/c1-3-4-5-14-6-10-16(11-7-14)19(20)18-15-8-12-17(21-2)13-9-15/h6-13H,3-5H2,1-2H3",C17H20N2O2,,,,,,LWPWICQRCLMVST-UHFFFAOYSA-N,,,,,,,,,,,
100.031.227,234-363-3,11120-22-2,"Silicic acid, lead salt",-,[Pb+4].[O-][Si](=O)[O-],[Pb+4].[O-][Si](=O)[O-],InChI=1/O3Si.Pb/c1-4(2)3;/q-2;+4,-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10403,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.227,GSWBXMAPIRMELB-UHFFFAOYSA-N,,,,,,,,,,,
100.031.234,234-371-7,11128-29-3,Potassium pentaborate,potassium pentaborate,[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/5BO3.15K/c5*2-1(3)4;;;;;;;;;;;;;;;/q5*-3;15*+1,B5KO8,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11152,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.234,PYUBPZNJWXUSID-UHFFFAOYSA-N,,,,,,,,,,,
100.031.245,234-383-2,11131-15-0,Hexadienol,"hexa-1,3-dien-1-ol",CCC=CC=CO,CCC=CC=CO,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-7H,2H2,1H3",C6H10O,,,,,,ZVSONHCDFQDFNN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.752,240-444-4,16397-28-7,3-[(1-methyl-2-phenylethyl)amino]propiononitrile,3-[(1-methyl-2-phenylethyl)amino]propanenitrile,CC(Cc1ccccc1)NCCC#N,CC(Cc1ccccc1)NCCC#N,"InChI=1/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3",C12H16N2,,,,,,IQUFSXIQAFPIMR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.756,240-449-1,16398-39-3,"10-[3-(dimethylamino)propyl]-2-nitrodibenz[b,f][1,4]oxazepin-11(10H)-one monohydrochloride","10-[3-(dimethylamino)propyl]-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one hydrochloride",Cl.CN(C)CCCN1C(=O)c2cc(ccc2Oc3ccccc13)[N+](=O)[O-],Cl.CN(C)CCCN1C(=O)c2cc(ccc2Oc3ccccc13)[N+](=O)[O-],"InChI=1/C18H19N3O4.ClH/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H",C18H19N3O4.ClH,,,,,,QQYWZPWIDBROOG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.761,240-454-9,16403-84-2,4-[(5-carbamoyl-o-tolyl)azo]-3-hydroxynaphth-2-anilide,4-[(5-carbamoyl-2-methylphenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthamide,Cc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4ccccc4)C(=O)N,Cc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4ccccc4)C(=O)N,"InChI=1/C25H20N4O3/c1-15-11-12-17(24(26)31)14-21(15)28-29-22-19-10-6-5-7-16(19)13-20(23(22)30)25(32)27-18-8-3-2-4-9-18/h2-14,30H,1H3,(H2,26,31)(H,27,32)",C25H20N4O3,,,,,,YOGMQHMXNSEDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.762,240-455-4,16409-34-0,"Sodium N-[(3a,5ß,12a)-3,12-dihydroxy-24-oxocholan-24-yl]aminoacetate","sodium [(3,12-dihydroxy-24-oxocholan-24-yl)amino]acetate",[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C26H43NO5.Na/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1",C26H43NO5.Na,,,,,,VMSNAUAEKXEYGP-YEUHZSMFSA-M,,,,,,,,,,,
100.036.764,240-458-0,16409-44-2,"3,7-dimethylocta-2,6-dienyl acetate","3,7-dimethylocta-2,6-dien-1-yl acetate",C/C(C)=C\\CCC(C)=CCOC(C)=O,C/C(C)=C\CCC(C)=CCOC(C)=O,"InChI=1/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3",C12H20O2,,,,,,HIGQPQRQIQDZMP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.769,240-463-8,16414-34-9,"3-bromo-4,5-dihydroxybenzaldehyde","3-bromo-4,5-dihydroxybenzaldehyde",Oc1cc(C=O)cc(Br)c1O,Oc1cc(C=O)cc(Br)c1O,"InChI=1/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",C7H5BrO3,,,,,,GVSGSHGXUXLQNS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.770,240-464-3,16415-12-6,Hexadecyltrimethoxysilane,hexadecyl(trimethoxy)silane,CCCCCCCCCCCCCCCC[Si](OC)(OC)OC,CCCCCCCCCCCCCCCC[Si](OC)(OC)OC,"InChI=1/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3",C19H42O3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5346,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.770,RSKGMYDENCAJEN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.781,240-476-9,16424-32-1,2-butylidenecyclopentanone,2-butylidenecyclopentanone,O=C1CCCC1=CCCC,O=C1CCCC1=CCCC,"InChI=1/C9H14O/c1-2-3-5-8-6-4-7-9(8)10/h5H,2-4,6-7H2,1H3",C9H14O,,,,,,PJDOECJDCGNWBG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.785,240-481-6,16429-07-5,2-hexylidenecyclohexan-1-one,2-hexylidenecyclohexanone,O=C1CCCCC1=CCCCCC,O=C1CCCCC1=CCCCCC,"InChI=1/C12H20O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h8H,2-7,9-10H2,1H3",C12H20O,,,,,,VDZBUTVYLIWRCT-UHFFFAOYSA-N,,,,,,,,,,,
100.033.669,237-052-0,13597-55-2,Distrontium silicate,distrontium silicate,[Sr+2].[Sr+2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Sr+2].[Sr+2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2O3Si.2Sr/c2*1-4(2)3;;/q2*-2;2*+2,H4O4Si.2Sr,,,,,,AMMAUTBSVLQXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.699,237-085-0,13602-11-4,Methyl 6-methylpyridine-2-carboxylate,methyl 6-methylpyridine-2-carboxylate,COC(=O)c1cccc(C)n1,COC(=O)c1cccc(C)n1,"InChI=1/C8H9NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h3-5H,1-2H3",C8H9NO2,,,,,,CYWIZMOZBTXFIL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.701,237-087-1,13602-13-6,"1,2-dichlorobut-2-ene","1,2-dichlorobut-2-ene",CC=C(Cl)CCl,CC=C(Cl)CCl,"InChI=1/C4H6Cl2/c1-2-4(6)3-5/h2H,3H2,1H3",C4H6Cl2,,,,,,VOGHDWQJCXXBMH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.702,237-088-7,13603-25-3,3-benzylpiperidine,3-benzylpiperidine,C(C1CCCNC1)c2ccccc2,C(C1CCCNC1)c2ccccc2,"InChI=1/C12H17N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,12-13H,4,7-10H2",C12H17N,,,,,,BKDMXVREWXKZLB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.710,237-097-6,13612-34-5,"2,5-xylylacetic acid","(2,5-dimethylphenyl)acetic acid",Cc1ccc(C)c(CC(=O)O)c1,Cc1ccc(C)c(CC(=O)O)c1,"InChI=1/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",C10H12O2,,,,,,RUSCTNYOPQOXDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.097,243-023-3,19395-79-0,Sodium a-ethyl-1-hydroxy-4-phenylcyclohexaneacetate,sodium 2-(1-hydroxy-4-phenylcyclohexyl)butanoate,[Na+].CCC(C(=O)[O-])C1(O)CCC(CC1)c2ccccc2,[Na+].CCC(C(=O)[O-])C1(O)CCC(CC1)c2ccccc2,"InChI=1/C16H22O3.Na/c1-2-14(15(17)18)16(19)10-8-13(9-11-16)12-6-4-3-5-7-12;/h3-7,13-14,19H,2,8-11H2,1H3,(H,17,18);/q;+1/p-1",C16H22O3.Na,,,,,,YJNNHGULDXPNFF-UHFFFAOYSA-M,,,,,,,,,,,
100.035.014,238-532-2,14520-76-4,Lithium potassium sulphate,lithium potassium sulfate,[Li+].[K+].[O-]S(=O)(=O)[O-],[Li+].[K+].[O-]S(=O)(=O)[O-],"InChI=1/K.Li.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O4S.K.Li,,,,,,HFBKKNJVQYNVDO-UHFFFAOYSA-L,,,,,,,,,,,
100.035.024,238-543-2,14526-32-0,"Tris(dibutyldithiocarbamato-S,S')iron",iron(3+) tris(dibutyldithiocarbamate),CCCCN(CCCC)C(=S)S[Fe](SC(=S)N(CCCC)CCCC)SC(=S)N(CCCC)CCCC,CCCCN(CCCC)C(=S)S[Fe](SC(=S)N(CCCC)CCCC)SC(=S)N(CCCC)CCCC,"InChI=1/3C9H19NS2.Fe/c3*1-3-5-7-10(9(11)12)8-6-4-2;/h3*3-8H2,1-2H3,(H,11,12);/q;;;+3/p-3/rC27H54FeN3S6/c1-7-13-19-29(20-14-8-2)25(32)35-28(36-26(33)30(21-15-9-3)22-16-10-4)37-27(34)31(23-17-11-5)24-18-12-6/h7-24H2,1-6H3",C27H54FeN3S6,,,,,,QGVNKIAXCPDWKJ-UHFFFAOYSA-K,,,,,,,,,,,
100.035.038,238-558-4,14532-24-2,Hexane-1-sulphonyl chloride,hexane-1-sulfonyl chloride,CCCCCCS(=O)(=O)Cl,CCCCCCS(=O)(=O)Cl,"InChI=1/C6H13ClO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3",C6H13ClO2S,,,,,,AEHJDQSLTMFLQO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.041,238-562-6,14533-02-9,Praseodymium maleate (1:3),praseodymium maleate (1:3),[Pr].[O-]C(=O)\\C=C/C(=O)[O-].[O-]C(=O)\\C=C/C(=O)[O-].[O-]C(=O)\\C=C/C(=O)[O-],[Pr].[O-]C(=O)\C=C/C(=O)[O-].[O-]C(=O)\C=C/C(=O)[O-].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/3C4H4O4.Pr/c3*5-3(6)1-2-4(7)8;/h3*1-2H,(H,5,6)(H,7,8);/q;;;+3/p-6",C4H4O4.1/3Pr,,,,,,GEGZAJAVGXYXLN-JVUUZWNBSA-H,,,,,,,,,,,
100.035.042,238-563-1,14533-03-0,Neodymium maleate (1:3),neodymium maleate (1:3),[Nd].[O-]C(=O)\\C=C/C(=O)[O-].[O-]C(=O)\\C=C/C(=O)[O-].[O-]C(=O)\\C=C/C(=O)[O-],[Nd].[O-]C(=O)\C=C/C(=O)[O-].[O-]C(=O)\C=C/C(=O)[O-].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/3C4H4O4.Nd/c3*5-3(6)1-2-4(7)8;/h3*1-2H,(H,5,6)(H,7,8);/q;;;+3/p-6",C4H4O4.1/3Nd,,,,,,IQPVPKULAAVXAE-JVUUZWNBSA-H,,,,,,,,,,,
100.035.045,238-566-8,14534-87-3,Iron tribenzoate,iron(3+) tribenzoate,[Fe+3].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C2=CC=CC=C2.[O-]C(=O)C3=CC=CC=C3,[Fe+3].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C2=CC=CC=C2.[O-]C(=O)C3=CC=CC=C3,"InChI=1/3C7H6O2.Fe/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3",C7H6O2.1/3Fe,,,,,,ITAUHKJMPRCVIH-UHFFFAOYSA-K,,,,,,,,,,,
100.035.056,238-578-3,14543-31-8,"2,4-bis(allyloxy)-6-chloro-1,3,5-triazine","2,4-bis(allyloxy)-6-chloro-1,3,5-triazine",Clc1nc(OCC=C)nc(OCC=C)n1,Clc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C9H10ClN3O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h3-4H,1-2,5-6H2",C9H10ClN3O2,,,,,,DGBZQPVIQOKMQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.057,238-579-9,14543-76-1,"Bis[a,3,4-trimethylphenethylammonium] sulphate","bis[1-(3,4-dimethylphenyl)propan-2-aminium] sulfate",CC([NH3+])Cc1ccc(C)c(C)c1.CC([NH3+])Cc2ccc(C)c(C)c2.[O-]S(=O)(=O)[O-],CC([NH3+])Cc1ccc(C)c(C)c1.CC([NH3+])Cc2ccc(C)c(C)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C11H17N.H2O4S/c2*1-8-4-5-11(6-9(8)2)7-10(3)12;1-5(2,3)4/h2*4-6,10H,7,12H2,1-3H3;(H2,1,2,3,4)",C11H17N.1/2H2O4S,,,,,,JUEMAIYCXHJGDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.638,238-119-7,14244-35-0,"Tris(3-methylpentane-2,4-dionato-O,O')chromium",chromium(3+) tris(3-methyl-4-oxopent-2-en-2-olate),CC(=C(C)C(=O)C)O[Cr](OC(=C(C)C(=O)C)C)OC(=C(C)C(=O)C)C,CC(=C(C)C(=O)C)O[Cr](OC(=C(C)C(=O)C)C)OC(=C(C)C(=O)C)C,"InChI=1/3C6H10O2.Cr/c3*1-4(5(2)7)6(3)8;/h3*7H,1-3H3;/q;;;+3/p-3/rC18H27CrO6/c1-10(13(4)20)16(7)23-19(24-17(8)11(2)14(5)21)25-18(9)12(3)15(6)22/h1-9H3",C18H27CrO6,,,,,,UWZVZQVYADCZFC-UHFFFAOYSA-K,,,,,,,,,,,
100.034.640,238-121-8,14244-62-3,Dipotassium tetracyanozincate,dipotassium tetrakis(cyano-kappaC)zincate(2-),[K+].[K+].N#C[Zn-2](C#N)(C#N)C#N,[K+].[K+].N#C[Zn-2](C#N)(C#N)C#N,"InChI=1/4CN.2K.Zn/c4*1-2;;;/q;;;;2*+1;-2/rC4N4Zn.2K/c5-1-9(2-6,3-7)4-8;;/q-2;2*+1",C4N4Zn.2K,,,,,,PZMTWESJJGZLNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.650,238-132-8,14254-76-3,4-[(5-carbamoyl-o-tolyl)azo]-3-hydroxy-2-naphth-p-anisidide,4-[(5-carbamoyl-2-methylphenyl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)-2-naphthamide,COc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4cc(ccc4C)C(=O)N)c2O)cc1,COc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4cc(ccc4C)C(=O)N)c2O)cc1,"InChI=1/C26H22N4O4/c1-15-7-8-17(25(27)32)14-22(15)29-30-23-20-6-4-3-5-16(20)13-21(24(23)31)26(33)28-18-9-11-19(34-2)12-10-18/h3-14,31H,1-2H3,(H2,27,32)(H,28,33)",C26H22N4O4,,,,,,RGPDBUFBAKNLRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.653,238-135-4,14258-49-2,"Oxalic acid, ammonium salt","oxalic acid, ammonium salt",[NH4+].OC(=O)C(=O)[O-],[NH4+].OC(=O)C(=O)[O-],"InChI=1/C2H2O4.H3N/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H3",C2H2O4.xH3N,,,,,,AJGPQPPJQDDCDA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.655,238-138-0,14259-46-2,"(S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one","5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3",C27H32O14,,,,,,HXTFHSYLYXVTHC-AJHDJQPGSA-N,,,,,,,,,,,
100.030.505,233-570-6,10238-21-8,Glibenclamide,5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide,COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3,COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3,"InChI=1/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",C23H28ClN3O5S,,,,,,ZNNLBTZKUZBEKO-UHFFFAOYSA-N,Positive/Negative,SM851101,[M+H]+,HCD35,169.0051:369.0673:304.0736,CASMI_2016,SM851151,[M-H]-,HCD35,170.0014:492.1365:126.9953,CASMI_2016
100.030.507,233-572-7,10238-28-5,p-nitrophenyl a-D-xylopyranoside,4-nitrophenyl alpha-D-xylopyranoside,O[C@@H]1CO[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@H]1O,O[C@@H]1CO[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@H]1O,"InChI=1/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2",C11H13NO7,,,,,,MLJYKRYCCUGBBV-LMLFDSFASA-N,,,,,,,,,,,
100.030.511,233-576-9,10241-20-0,"Disodium 5,7-dichloro-2-[6-chloro-4-methyl-3-(sulphonatooxy)benzo[b]thien-2-yl]-1H-indol-3-yl sulphate","disodium 6-chloro-2-[5,7-dichloro-3-(sulfonatooxy)-1H-indol-2-yl]-4-methyl-1-benzothiophen-3-yl sulfate",[Na+].[Na+].Cc1cc(Cl)cc2sc(c(OS(=O)(=O)[O-])c12)c3[nH]c4c(Cl)cc(Cl)cc4c3OS(=O)(=O)[O-],[Na+].[Na+].Cc1cc(Cl)cc2sc(c(OS(=O)(=O)[O-])c12)c3[nH]c4c(Cl)cc(Cl)cc4c3OS(=O)(=O)[O-],"InChI=1/C17H10Cl3NO8S3.2Na/c1-6-2-7(18)5-11-12(6)16(29-32(25,26)27)17(30-11)14-15(28-31(22,23)24)9-3-8(19)4-10(20)13(9)21-14;;/h2-5,21H,1H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C17H10Cl3NO8S3.2Na,,,,,,LLSDKKSSBUBKCC-UHFFFAOYSA-L,,,,,,,,,,,
100.030.515,233-581-6,10246-68-1,"Nonanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","nonanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C9H18O2.C6H15NO3/c1-2-3-4-5-6-7-8-9(10)11;8-4-1-7(2-5-9)3-6-10/h2-8H2,1H3,(H,10,11);8-10H,1-6H2",C9H18O2.C6H15NO3,,,,,,ULLYHMPWFCYBEO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.357,241-109-5,17040-19-6,Demeton-S-methylsulphon,"S-[2-(ethylsulfonyl)ethyl] O,O-dimethyl thiophosphate",CCS(=O)(=O)CCSP(=O)(OC)OC,CCS(=O)(=O)CCSP(=O)(OC)OC,"InChI=1/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3",C6H15O5PS2,,,,,,PZIRJMYRYORVIT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.366,241-118-4,17057-07-7,"3-(2,5-dihydro-2,5-dioxo(1H)-pyrrole-1-yl)benzoic acid","3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid",OC(=O)c1cccc(c1)N2C(=O)C=CC2=O,OC(=O)c1cccc(c1)N2C(=O)C=CC2=O,"InChI=1/C11H7NO4/c13-9-4-5-10(14)12(9)8-3-1-2-7(6-8)11(15)16/h1-6H,(H,15,16)",C11H7NO4,,,,,,ZJGBFJBMTKEFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.127,236-455-9,13380-89-7,"Octahydro-4,7-methano-1H-inden-5-ol","octahydro-1H-4,7-methanoinden-5-ol",OC1CC2CC1C3CCCC23,OC1CC2CC1C3CCCC23,"InChI=1/C10H16O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2",C10H16O,,,,,,FKZJBAXKHJIQDU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.134,236-463-2,13389-42-9,trans-oct-2-ene,oct-2-ene,CCCCC\\C=C\\C,CCCCC\C=C\C,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3",C8H16,,,,,,ILPBINAXDRFYPL-HWKANZROSA-N,,,,,,,,,,,
100.054.682,260-169-3,56423-40-6,Benzyl 2-methylbutyrate,benzyl 2-methylbutanoate,CCC(C)C(=O)OCc1ccccc1,CCC(C)C(=O)OCc1ccccc1,"InChI=1/C12H16O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3",C12H16O2,,,,,,PTKDIBUNVYIPOD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.684,260-171-4,56425-84-4,2-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-one,2-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-one,CC(C)C(=O)c1ccc(OC(F)(F)F)cc1,CC(C)C(=O)c1ccc(OC(F)(F)F)cc1,"InChI=1/C11H11F3O2/c1-7(2)10(15)8-3-5-9(6-4-8)16-11(12,13)14/h3-7H,1-2H3",C11H11F3O2,,,,,,LRLLMOWTLDDQIW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.690,260-178-2,56431-61-9,"Disodium 4-amino-5-hydroxy-3-(4-nitrophenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c3c(cc2S([O-])(=O)=O)cc(cc3O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c3c(cc2S([O-])(=O)=O)cc(cc3O)S([O-])(=O)=O,"InChI=1/C16H12N4O9S2.2Na/c17-15-14-8(5-11(7-12(14)21)30(24,25)26)6-13(31(27,28)29)16(15)19-18-9-1-3-10(4-2-9)20(22)23;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H12N4O9S2.2Na,,,,,,XCFVSYWEMCQEOH-UHFFFAOYSA-L,,,,,,,,,,,
100.054.692,260-180-3,56433-36-4,Dilithium S-ethyl thiophosphate,dilithium S-ethyl thiophosphate,[Li+].[Li+].CCSP(=O)([O-])[O-],[Li+].[Li+].CCSP(=O)([O-])[O-],"InChI=1/C2H7O3PS.2Li/c1-2-7-6(3,4)5;;/h2H2,1H3,(H2,3,4,5);;/q;2*+1/p-2",C2H7O3PS.2Li,,,,,,XIABSFOMGFDDSA-UHFFFAOYSA-L,,,,,,,,,,,
100.054.695,260-184-5,56440-86-9,1-hydrazino-3-morpholinopropan-2-ol,1-hydrazino-3-morpholin-4-ylpropan-2-ol,NNCC(O)CN1CCOCC1,NNCC(O)CN1CCOCC1,"InChI=1/C7H17N3O2/c8-9-5-7(11)6-10-1-3-12-4-2-10/h7,9,11H,1-6,8H2",C7H17N3O2,,,,,,QYBPJTWZQPDNTH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.713,260-203-7,56471-42-2,"1-sec-butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide","1-sec-butyl-N-(2-hydroxy-1,1-dimethylethyl)cycloheptanecarboxamide",CCC(C)C1(CCCCCC1)C(=O)NC(C)(C)CO,CCC(C)C1(CCCCCC1)C(=O)NC(C)(C)CO,"InChI=1/C16H31NO2/c1-5-13(2)16(10-8-6-7-9-11-16)14(19)17-15(3,4)12-18/h13,18H,5-12H2,1-4H3,(H,17,19)",C16H31NO2,,,,,,CFPRLPOHLDRYIP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.714,260-204-2,56471-43-3,N-ethyl-2-isopropylcycloheptanecarboxamide,N-ethyl-2-isopropylcycloheptanecarboxamide,CCNC(=O)C1CCCCCC1C(C)C,CCNC(=O)C1CCCCCC1C(C)C,"InChI=1/C13H25NO/c1-4-14-13(15)12-9-7-5-6-8-11(12)10(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)",C13H25NO,,,,,,GFWOMJATTSHQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.722,260-213-1,56479-48-2,"Undecanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","undecanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C11H22O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h2-10H2,1H3,(H,12,13);8-10H,1-6H2",C11H22O2.C6H15NO3,,,,,,YUGQAXMSFXLTRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.724,260-215-2,56484-15-2,"Sodium 3-[2-(4,5-dihydro-2-octyl-1H-imidazol-1-yl)ethoxy]propionate","sodium 3-[2-(2-octyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoate",[Na+].CCCCCCCCC1=NCCN1CCOCCC(=O)[O-],[Na+].CCCCCCCCC1=NCCN1CCOCCC(=O)[O-],"InChI=1/C16H30N2O3.Na/c1-2-3-4-5-6-7-8-15-17-10-11-18(15)12-14-21-13-9-16(19)20;/h2-14H2,1H3,(H,19,20);/q;+1/p-1",C16H30N2O3.Na,,,,,,ZNFTWFNXQBAHJI-UHFFFAOYSA-M,,,,,,,,,,,
100.036.502,240-170-5,16029-28-0,Bismuth tris(8-quinolyl oxide),"8,8',8''-[bismuthinetriyltris(oxy)]triquinoline",O([Bi](Oc1cccc2cccnc12)Oc3cccc4cccnc34)c5cccc6cccnc56,O([Bi](Oc1cccc2cccnc12)Oc3cccc4cccnc34)c5cccc6cccnc56,"InChI=1/3C9H7NO.Bi/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3",C27H18BiN3O3,,,,,,UNHHWKUGFQWQSQ-UHFFFAOYSA-K,,,,,,,,,,,
100.036.506,240-174-7,16037-50-6,Potassium chlorotrioxochromate,potassium chloro(trioxo)chromate(1-),[K+].Cl[Cr-](=O)(=O)=O,[K+].Cl[Cr-](=O)(=O)=O,"InChI=1/ClH.Cr.K.3O/h1H;;;;;/q;;+1;;;/p-1/rClCrO3.K/c1-2(3,4)5;/q-1;+1",ClCrO3.K,,,,,,PEBPTQFCMJWPGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.509,240-177-3,16039-52-4,Copper dilactate,copper(2+) bis(2-hydroxypropanoate),[Cu+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O,[Cu+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O,"InChI=1/2C3H6O3.Cu/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C6H10CuO6,,,,,,DYROSKSLMAPFBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.036.510,240-178-9,16039-53-5,Zinc dilactate,zinc bis(2-hydroxypropanoate),[Zn+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Zn+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Zn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C6H10O6Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5462,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.510,CANRESZKMUPMAE-UHFFFAOYSA-L,,,,,,,,,,,
100.036.512,240-181-5,16039-55-7,Cadmium dilactate,cadmium bis(2-hydroxypropanoate),[Cd+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Cd+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Cd/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C6H10CdO6,,,,,,HBWKVDXNTCJIOW-UHFFFAOYSA-L,,,,,,,,,,,
100.036.520,240-189-9,16046-10-9,2-(trimethylsilyl)ethyl acetate,2-(trimethylsilyl)ethyl acetate,CC(=O)OCC[Si](C)(C)C,CC(=O)OCC[Si](C)(C)C,"InChI=1/C7H16O2Si/c1-7(8)9-5-6-10(2,3)4/h5-6H2,1-4H3",C7H16O2Si,,,,,,LZQFCHRCTZAAER-UHFFFAOYSA-N,,,,,,,,,,,
100.036.525,240-195-1,16050-65-0,"4-ethyl-1,2,4-triazolidine-3,5-dione","4-ethyl-1,2,4-triazolidine-3,5-dione",CCN1C(=O)NNC1=O,CCN1C(=O)NNC1=O,"InChI=1/C4H7N3O2/c1-2-7-3(8)5-6-4(7)9/h2H2,1H3,(H,5,8)(H,6,9)",C4H7N3O2,,,,,,FTLPCUOUNXWZMN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.538,240-209-6,16066-09-4,"1,1,1,3,5,7,7,7-octamethyltetrasiloxane","1,1,1,3,5,7,7,7-octamethyltetrasiloxane",C[SiH](O[SiH](C)O[Si](C)(C)C)O[Si](C)(C)C,C[SiH](O[SiH](C)O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C8H26O3Si4/c1-12(10-14(3,4)5)9-13(2)11-15(6,7)8/h12-13H,1-8H3",C8H26O3Si4,,,,,,LBPUHXCOWXUVCE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.547,240-219-0,16070-29-4,"(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with 2-aminoethanol (1:1)",N-methyl-N-oleoylglycine - 2-aminoethanol (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(=O)O.NCCO,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.NCCO,"InChI=1/C21H39NO3.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;3-1-2-4/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);4H,1-3H2",C21H39NO3.C2H7NO,,,,,,APORHXDNYYBWMK-GMFCBQQYSA-N,,,,,,,,,,,
100.030.523,233-590-5,10250-48-3,"Methyl 3,3-dimethylbutyrate","methyl 3,3-dimethylbutanoate",COC(=O)CC(C)(C)C,COC(=O)CC(C)(C)C,"InChI=1/C7H14O2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3",C7H14O2,,,,,,DXBOTVWRXLQVMG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.524,233-591-0,10251-17-9,2-naphthyl octanoate,2-naphthyl octanoate,CCCCCCCC(=O)Oc1ccc2ccccc2c1,CCCCCCCC(=O)Oc1ccc2ccccc2c1,"InChI=1/C18H22O2/c1-2-3-4-5-6-11-18(19)20-17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3",C18H22O2,,,,,,CXVZBUOSDMLXNK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.529,233-596-8,10257-55-3,Calcium sulphite,calcium sulfite,[Ca+2].[O-]S(=O)[O-],[Ca+2].[O-]S(=O)[O-],"InChI=1/Ca.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",Ca.H2O3S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5493,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.529,GBAOBIBJACZTNA-UHFFFAOYSA-L,,,,,,,,,,,
100.030.534,233-601-3,10263-19-1,"3',4',5'-trimethoxycinnamoyl chloride","3-(3,4,5-trimethoxyphenyl)acryloyl chloride",COc1cc(C=CC(=O)Cl)cc(OC)c1OC,COc1cc(C=CC(=O)Cl)cc(OC)c1OC,"InChI=1/C12H13ClO4/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3",C12H13ClO4,,,,,,NFFPFTGFVSWSTH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.535,233-602-9,10264-08-1,N-cyclohexylphenylacetamide,N-cyclohexyl-2-phenylacetamide,O=C(Cc1ccccc1)NC2CCCCC2,O=C(Cc1ccccc1)NC2CCCCC2,"InChI=1/C14H19NO/c16-14(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)",C14H19NO,,,,,,ZFEBPJQSSNUJGT-UHFFFAOYSA-N,,,,,,,,,,,
100.031.401,234-555-7,12010-49-0,"Bismuth, compound with lutetium (1:1)",-,[Lu].[Bi],[Lu].[Bi],InChI=1/Bi.Lu/q2*+3,Bi.Lu,,,,,,GPYFFRNMOIUWQA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.402,234-556-2,12010-50-3,"Bismuth, compound with manganese (1:1)",-,[Bi].[Mn],[Bi].[Mn],InChI=1/Bi.Mn/q+3;+2,Bi.Mn,,,,,,KYAZRUPZRJALEP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.403,234-557-8,12010-51-4,"Bismuth, compound with sodium (1:3)",-,[NaH].[NaH].[NaH].[Bi],[NaH].[NaH].[NaH].[Bi],InChI=1/Bi.3Na.3H/q+3;3*+1;;;/rBi.3HNa/h;3*1H/q+3;3*+1,Bi.Na,,,,,,AWGWXSCYLJRRQI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.406,234-560-4,12010-61-6,"Bismuth, compound with ytterbium (1:1)",-,[Yb].[Bi],[Yb].[Bi],InChI=1/Bi.Yb.2H/q+3;;;/rBi.H2Yb/h;1H2/q+3;,Bi.Yb,,,,,,LFTVQMXNFSJCFX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.121,260-651-3,57258-90-9,"Ethyl 2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylate","ethyl 2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindane-5-carboxylate",CCOC(=O)c1ccc2C(=O)C(C(=O)c2c1)c3nc4ccccc4cc3O,CCOC(=O)c1ccc2C(=O)C(C(=O)c2c1)c3nc4ccccc4cc3O,"InChI=1/C21H15NO5/c1-2-27-21(26)12-7-8-13-14(9-12)20(25)17(19(13)24)18-16(23)10-11-5-3-4-6-15(11)22-18/h3-10,17,23H,2H2,1H3",C21H15NO5,,,,,,DYCJYXMVABIVOY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.124,260-655-5,57267-21-7,"(3,4-dimethoxyphenethyl)(methyl)ammonium iodide","2-(3,4-dimethoxyphenyl)-N-methylethanaminium iodide",[I-].C[NH2+]CCc1ccc(OC)c(OC)c1,[I-].C[NH2+]CCc1ccc(OC)c(OC)c1,"InChI=1/C11H17NO2.HI/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;/h4-5,8,12H,6-7H2,1-3H3;1H",C11H17NO2.HI,,,,,,YDRWXKNFHCZTJF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.252,266-298-1,66282-04-0,"4-(acetylamino)-6-[[3-[[[2-[4-(hexadecyloxy)phenyl]-1H-indol-3-yl]amino]sulphonyl]-4-methoxyphenyl]azo]-5-hydroxynaphthalene-1,7-disulphonic acid","4-acetamido-6-{[3-({2-[4-(hexadecyloxy)phenyl]-1H-indol-3-yl}sulfamoyl)-4-methoxyphenyl]diazenyl}-5-hydroxynaphthalene-1,7-disulfonic acid",OS(=O)(=O)c6cc1c(ccc(NC(C)=O)c1c(O)c6N=Nc2cc(c(OC)cc2)S(=O)(=O)Nc3c5ccccc5nc3c4ccc(OCCCCCCCCCCCCCCCC)cc4)S(O)(=O)=O,OS(=O)(=O)c6cc1c(ccc(NC(C)=O)c1c(O)c6N=Nc2cc(c(OC)cc2)S(=O)(=O)Nc3c5ccccc5nc3c4ccc(OCCCCCCCCCCCCCCCC)cc4)S(O)(=O)=O,"InChI=1/C49H59N5O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-66-36-25-22-34(23-26-36)46-47(37-20-17-18-21-39(37)51-46)54-67(57,58)43-31-35(24-28-41(43)65-3)52-53-48-44(69(62,63)64)32-38-42(68(59,60)61)29-27-40(50-33(2)55)45(38)49(48)56/h17-18,20-29,31-32,51,54,56H,4-16,19,30H2,1-3H3,(H,50,55)(H,59,60,61)(H,62,63,64)",C49H59N5O12S3,,,,,,MSKLFEWHBWDCIE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.255,266-301-6,66292-52-2,Butilfenin,"2,2'-({2-[(4-butylphenyl)amino]-2-oxoethyl}imino)diacetic acid",CCCCc1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1,CCCCc1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1,"InChI=1/C16H22N2O5/c1-2-3-4-12-5-7-13(8-6-12)17-14(19)9-18(10-15(20)21)11-16(22)23/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,20,21)(H,22,23)",C16H22N2O5,,,,,,XSYSSUAGVNOMCE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.256,266-302-1,66295-44-1,Diisopropyl methylphosphonite,diisopropyl methylphosphonite,CC(C)OP(C)OC(C)C,CC(C)OP(C)OC(C)C,"InChI=1/C7H17O2P/c1-6(2)8-10(5)9-7(3)4/h6-7H,1-5H3",C7H17O2P,,,,,,IIXDCLXRMJQEAM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.261,266-307-9,66304-06-1,"1,8-dihydroxy-4,5-bis(hydroxyamino)anthraquinone","1,8-dihydroxy-4,5-bis(hydroxyamino)-9,10-anthraquinone",ONc1ccc(O)c2C(=O)c3c(O)ccc(NO)c3C(=O)c12,ONc1ccc(O)c2C(=O)c3c(O)ccc(NO)c3C(=O)c12,"InChI=1/C14H10N2O6/c17-7-3-1-5(15-21)9-11(7)14(20)12-8(18)4-2-6(16-22)10(12)13(9)19/h1-4,15-18,21-22H",C14H10N2O6,,,,,,CYFBWXFZAJZLJR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.262,266-308-4,66304-07-2,"1,5-dihydroxy-4,8-bis[hydroxy(hydroxymethyl)amino]anthraquinone","1,5-dihydroxy-4,8-bis[hydroxy(hydroxymethyl)amino]-9,10-anthraquinone",OCN(O)c1ccc(O)c2C(=O)c3c(ccc(O)c3C(=O)c12)N(O)CO,OCN(O)c1ccc(O)c2C(=O)c3c(ccc(O)c3C(=O)c12)N(O)CO,"InChI=1/C16H14N2O8/c19-5-17(25)7-1-3-9(21)13-11(7)15(23)14-10(22)4-2-8(18(26)6-20)12(14)16(13)24/h1-4,19-22,25-26H,5-6H2",C16H14N2O8,,,,,,NNFRZBVKYJQYDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.263,266-310-5,66304-08-3,"1,8-dihydroxy-4,5-bis[hydroxy(hydroxymethyl)amino]anthraquinone","1,8-dihydroxy-4,5-bis[hydroxy(hydroxymethyl)amino]-9,10-anthraquinone",OCN(O)c1ccc(O)c2C(=O)c3c(O)ccc(N(O)CO)c3C(=O)c12,OCN(O)c1ccc(O)c2C(=O)c3c(O)ccc(N(O)CO)c3C(=O)c12,"InChI=1/C16H14N2O8/c19-5-17(25)7-1-3-9(21)13-11(7)15(23)12-8(18(26)6-20)2-4-10(22)14(12)16(13)24/h1-4,19-22,25-26H,5-6H2",C16H14N2O8,,,,,,IWZOZLJGCSSZIT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.265,266-312-6,66309-69-1,(6R-trans)-7-[2-(2-aminothiazol-4-yl)acetamido]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrochloride,"7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrochloride",Cl.Cl.CN(C)CCn1nnnc1SCC2=C(N3[C@@H](SC2)[C@@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O,Cl.Cl.CN(C)CCn1nnnc1SCC2=C(N3[C@@H](SC2)[C@@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O,"InChI=1/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H",C18H23N9O4S3.2ClH,,,,,,BWRRTAXZCKVRON-XPTKPXFUSA-N,,,,,,,,,,,
100.039.100,243-027-5,19397-79-6,2-bromo-N-(o-tolyl)propionamide,2-bromo-N-(2-methylphenyl)propanamide,CC(Br)C(=O)Nc1ccccc1C,CC(Br)C(=O)Nc1ccccc1C,"InChI=1/C10H12BrNO/c1-7-5-3-4-6-9(7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13)",C10H12BrNO,,,,,,GUIZTZZUXVCLHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.039.102,243-029-6,19398-47-1,"1,4-dibromobutan-2-ol","1,4-dibromobutan-2-ol",OC(CBr)CCBr,OC(CBr)CCBr,"InChI=1/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2",C4H8Br2O,,,,,,PSSRAPMBSMSACN-UHFFFAOYSA-N,,,,,,,,,,,
100.039.103,243-030-1,19398-48-2,"2,3-dibromobut-2-ene","2,3-dibromobut-2-ene",BrC(C)=C(Br)C,BrC(C)=C(Br)C,InChI=1/C4H6Br2/c1-3(5)4(2)6/h1-2H3,C4H6Br2,,,,,,SDEHPRGMSHJNMU-UHFFFAOYSA-N,,,,,,,,,,,
100.039.107,243-034-3,19398-89-1,(E)-dec-4-ene,dec-4-ene,CCCCC\\C=C\\CCC,CCCCC\C=C\CCC,"InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h7,9H,3-6,8,10H2,1-2H3",C10H20,,,,,,SOVOPSCRHKEUNJ-VQHVLOKHSA-N,,,,,,,,,,,
100.039.108,243-035-9,19402-64-3,Ammonium benzenesulphonate,ammonium benzenesulfonate,[NH4+].[O-]S(=O)(=O)c1ccccc1,[NH4+].[O-]S(=O)(=O)c1ccccc1,"InChI=1/C6H6O3S.H3N/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);1H3",C6H6O3S.H3N,,,,,,WWLOCCUNZXBJFR-UHFFFAOYSA-N,,,,,,,,,,,
100.039.121,243-050-0,19428-14-9,Benproperine phosphate,1-[2-(2-benzylphenoxy)-1-methylethyl]piperidine phosphate,OP(O)(=O)O.CC(COc2ccccc2Cc1ccccc1)N3CCCCC3,OP(O)(=O)O.CC(COc2ccccc2Cc1ccccc1)N3CCCCC3,"InChI=1/C21H27NO.H3O4P/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19;1-5(2,3)4/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;(H3,1,2,3,4)",C21H27NO.H3O4P,,,,,,MCVUURBOSHQXMK-UHFFFAOYSA-N,,,,,,,,,,,
100.039.123,243-052-1,19429-51-7,"2,4,4,4-tetrachloro-2-butenal","2,4,4,4-tetrachlorobut-2-enal",ClC(Cl)(Cl)C=C(Cl)C=O,ClC(Cl)(Cl)C=C(Cl)C=O,"InChI=1/C4H2Cl4O/c5-3(2-9)1-4(6,7)8/h1-2H",C4H2Cl4O,,,,,,SBJGGOPLEWSLBN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.757,233-846-6,10381-75-6,8-bromotheophylline,"8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2[nH]c(Br)nc2C1=O,CN1C(=O)N(C)c2[nH]c(Br)nc2C1=O,"InChI=1/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)",C7H7BrN4O2,,,,,,SKTFQHRVFFOHTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.759,233-848-7,10387-40-3,Potassium thioacetate,potassium ethanethioate,[K+].CC(=O)[S-],[K+].CC(=O)[S-],"InChI=1/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4OS.K,,,,,,AFNBMGLGYSGFEZ-UHFFFAOYSA-M,,,,,,,,,,,
100.030.760,233-849-2,10388-28-0,Chloroborane,chloroborane,BCl,BCl,InChI=1/BClH2/c1-2/h1H2,BClH2,,,,,,UOALEFQKAOQICC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.766,233-856-0,10395-46-7,"[1S-(1a,3a,4ß,6a)]-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol","3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol",CC1(C)C2CC(O)C(C)(O)CC12,CC1(C)C2CC(O)C(C)(O)CC12,"InChI=1/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3",C10H18O2,,,,,,AHVKNBRJVKCGKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.767,233-857-6,10396-10-8,1-tosylsemicarbazide,2-[(4-methylphenyl)sulfonyl]hydrazinecarboxamide,Cc1ccc(cc1)S(=O)(=O)NNC(=O)N,Cc1ccc(cc1)S(=O)(=O)NNC(=O)N,"InChI=1/C8H11N3O3S/c1-6-2-4-7(5-3-6)15(13,14)11-10-8(9)12/h2-5,11H,1H3,(H3,9,10,12)",C8H11N3O3S,,,,,,VRFNYSYURHAPFL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.086,265-014-3,64683-38-1,"Disodium 2-[[2,6-dihydroxy-3-[(3-sulphonatophenyl)azo]phenyl]azo]benzoate","disodium 2-({2,6-dihydroxy-3-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)benzoate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccccc1C([O-])=O)N=Nc3cccc(c3)S([O-])(=O)=O,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccccc1C([O-])=O)N=Nc3cccc(c3)S([O-])(=O)=O,"InChI=1/C19H14N4O7S.2Na/c24-16-9-8-15(22-20-11-4-3-5-12(10-11)31(28,29)30)18(25)17(16)23-21-14-7-2-1-6-13(14)19(26)27;;/h1-10,24-25H,(H,26,27)(H,28,29,30);;/q;2*+1/p-2",C19H14N4O7S.2Na,,,,,,ZXFKCQUTSGZZSW-UHFFFAOYSA-L,,,,,,,,,,,
100.055.768,261-365-1,58609-73-7,2-(4-isobutylphenyl)propiononitrile,2-(4-isobutylphenyl)propanenitrile,CC(C)Cc1ccc(cc1)C(C)C#N,CC(C)Cc1ccc(cc1)C(C)C#N,"InChI=1/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3",C13H17N,,,,,,PKQKHWNHCKNYSW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.771,261-368-8,58626-38-3,"1-[3-[[(2,5-dioxopyrrolidinyl)oxy]carbonyl]phenyl]-1H-pyrrole-2,5-dione","1-(3-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-1H-pyrrole-2,5-dione",O=C(ON1C(=O)CCC1=O)c2cccc(c2)N3C(=O)C=CC3=O,O=C(ON1C(=O)CCC1=O)c2cccc(c2)N3C(=O)C=CC3=O,"InChI=1/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-5,8H,6-7H2",C15H10N2O6,,,,,,LLXVXPPXELIDGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.773,261-370-9,58632-95-4,tert-butyl a-cyanobenzylaminyl carbonate,{[(tert-butoxycarbonyl)oxy]imino}(phenyl)acetonitrile,CC(C)(C)OC(=O)ON=C(C#N)c1ccccc1,CC(C)(C)OC(=O)ON=C(C#N)c1ccccc1,"InChI=1/C13H14N2O3/c1-13(2,3)17-12(16)18-15-11(9-14)10-7-5-4-6-8-10/h4-8H,1-3H3",C13H14N2O3,,,,,,QQWYQAQQADNEIC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.783,261-381-9,58654-66-3,1-bicyclo[2.2.1]hept-2-ylethan-1-one,1-bicyclo[2.2.1]hept-2-ylethanone,CC(=O)C1CC2CCC1C2,CC(=O)C1CC2CCC1C2,"InChI=1/C9H14O/c1-6(10)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3",C9H14O,,,,,,NDZIFIKZHLSCFR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.656,238-139-6,14259-47-3,"(S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one","5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside",COc1ccc(cc1)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,COc1ccc(cc1)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,"InChI=1/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3",C28H34O14,,,,,,RMCRQBAILCLJGU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.657,238-140-1,14260-97-0,Bis(2-butoxyethyl) hydrogen phosphate,bis(2-butoxyethyl) hydrogen phosphate,CCCCOCCOP(=O)(O)OCCOCCCC,CCCCOCCOP(=O)(O)OCCOCCCC,"InChI=1/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)",C12H27O6P,,,,,,NNXWIPHZHATIFE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.660,238-143-8,14263-15-1,"Bis(6-methylheptane-2,4-dionato-O,O')zinc",zinc bis(6-methyl-2-oxohept-3-en-4-olate),CC(C)CC(=CC(=O)C)O[Zn]OC(=CC(=O)C)CC(C)C,CC(C)CC(=CC(=O)C)O[Zn]OC(=CC(=O)C)CC(C)C,"InChI=1/2C8H14O2.Zn/c2*1-6(2)4-8(10)5-7(3)9;/h2*5-6,10H,4H2,1-3H3;/q;;+2/p-2",C16H26O4Zn,,,,,,MZGOOIFVWFMSJZ-UHFFFAOYSA-L,,,,,,,,,,,
100.034.664,238-148-5,14263-89-9,4-chloro-2-nitrobenzenediazonium tetrachlorozincate (2:1),bis(4-chloro-2-nitrobenzenediazonium) tetrachlorozincate(2-),[O-][N+](=O)c1cc(Cl)ccc1[N+]#N.[O-][N+](=O)c2cc(Cl)ccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,[O-][N+](=O)c1cc(Cl)ccc1[N+]#N.[O-][N+](=O)c2cc(Cl)ccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C6H3ClN3O2.4ClH.Zn/c2*7-4-1-2-5(9-8)6(3-4)10(11)12;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4/r2C6H3ClN3O2.Cl4Zn/c2*7-4-1-2-5(9-8)6(3-4)10(11)12;1-5(2,3)4/h2*1-3H;/q2*+1;-2",C6H3ClN3O2.1/2Cl4Zn,,,,,,SEJJAROGLQFLQR-UHFFFAOYSA-J,,,,,,,,,,,
100.034.666,238-150-6,14263-91-3,"3,5-bis(trifluoromethyl)benzenediazonium tetrachlorozincate (2:1)","bis[3,5-bis(trifluoromethyl)benzenediazonium] tetrachlorozincate(2-)",FC(F)(F)c1cc(cc(c1)C(F)(F)F)[N+]#N.FC(F)(F)c2cc(cc(c2)C(F)(F)F)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,FC(F)(F)c1cc(cc(c1)C(F)(F)F)[N+]#N.FC(F)(F)c2cc(cc(c2)C(F)(F)F)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C8H3F6N2.4ClH.Zn/c2*9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4/r2C8H3F6N2.Cl4Zn/c2*9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15;1-5(2,3)4/h2*1-3H;/q2*+1;-2",C8H3F6N2.1/2Cl4Zn,,,,,,RVJMLOOUJQZBSY-UHFFFAOYSA-J,,,,,,,,,,,
100.031.483,234-645-6,12019-27-1,"Copper, compound with zinc (1:1)",copper - zinc (1:1),[Cu].[Zn],[Cu].[Zn],InChI=1/Cu.Zn/q+1;+2,Cu.Zn,,,,,,TVZPLCNGKSPOJA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.627,233-703-8,10320-42-0,2-chloro-5-nitropyrimidine,2-chloro-5-nitropyrimidine,[O-][N+](=O)c1cnc(Cl)nc1,[O-][N+](=O)c1cnc(Cl)nc1,InChI=1/C4H2ClN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,C4H2ClN3O2,,,,,,OFCBNMYNAHUDGE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.648,233-726-3,10333-53-6,"N,N,N',N'-tetrapropylmethylenediamine","N,N,N',N'-tetrapropylmethanediamine",CCCN(CCC)CN(CCC)CCC,CCCN(CCC)CN(CCC)CCC,"InChI=1/C13H30N2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5-13H2,1-4H3",C13H30N2,,,,,,NGCFMKFMMGSXJO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.649,233-727-9,10333-92-3,"Bis(2-amino-1,7-dihydro-6H-purin-6-one) sulphate","2-amino-1,9-dihydro-6H-purin-6-one sulfate (2:1)",NC1=Nc2[nH]cnc2C(=O)N1.NC3=Nc4[nH]cnc4C(=O)N3.OS(=O)(=O)O,NC1=Nc2[nH]cnc2C(=O)N1.NC3=Nc4[nH]cnc4C(=O)N3.OS(=O)(=O)O,"InChI=1/2C5H5N5O.H2O4S/c2*6-5-9-3-2(4(11)10-5)7-1-8-3;1-5(2,3)4/h2*1H,(H4,6,7,8,9,10,11);(H2,1,2,3,4)",C5H5N5O.1/2H2O4S,,,,,,JXUOOUXZIHGPTG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.778,241-572-3,17601-74-0,3-[phenyl(2-phenylethyl)amino]propiononitrile,3-[phenyl(2-phenylethyl)amino]propanenitrile,N#CCCN(CCc1ccccc1)c2ccccc2,N#CCCN(CCc1ccccc1)c2ccccc2,"InChI=1/C17H18N2/c18-13-7-14-19(17-10-5-2-6-11-17)15-12-16-8-3-1-4-9-16/h1-6,8-11H,7,12,14-15H2",C17H18N2,,,,,,ACCLIXSHFMDCLV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.779,241-573-9,17601-86-4,"2-phenyl-3-[(2,4,5-trichlorophenyl)azo]indole","2-phenyl-3-[(2,4,5-trichlorophenyl)diazenyl]-1H-indole",Clc4cc(N=Nc1c3ccccc3nc1c2ccccc2)c(Cl)cc4Cl,Clc4cc(N=Nc1c3ccccc3nc1c2ccccc2)c(Cl)cc4Cl,"InChI=1/C20H12Cl3N3/c21-14-10-16(23)18(11-15(14)22)25-26-20-13-8-4-5-9-17(13)24-19(20)12-6-2-1-3-7-12/h1-11,24H",C20H12Cl3N3,,,,,,HHLFUASWQJDOFC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.780,241-574-4,17601-94-4,2-amino-3-bromo-5-nitrobenzonitrile,2-amino-3-bromo-5-nitrobenzonitrile,Nc1c(Br)cc(cc1C#N)[N+](=O)[O-],Nc1c(Br)cc(cc1C#N)[N+](=O)[O-],"InChI=1/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2",C7H4BrN3O2,,,,,,MUHLVSZIVTURCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.782,241-577-0,17603-42-8,"2,3-dihydroxypropyl (dihydrogen phosphate), sodium salt","sodium 2,3-dihydroxypropyl hydrogen phosphate",OCC(O)COP(=O)(O)O[Na],OCC(O)COP(=O)(O)O[Na],"InChI=1/C3H9O6P.Na/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+1/p-1/rC3H8NaO6P/c4-10-11(7,8)9-2-3(6)1-5/h3,5-6H,1-2H2,(H,7,8)",C3H9O6P.xNa,,,,,,REULQIKBNNDNDX-UHFFFAOYSA-M,,,,,,,,,,,
100.037.784,241-579-1,17607-28-2,N-acetyl-3-fluoro-3-phenyl-DL-alanine,3-fluoro-N-(1-hydroxyethylidene)phenylalanine,Fc1cc(CC(\\N=C(/C)O)C(O)=O)ccc1,Fc1cc(CC(\N=C(/C)O)C(O)=O)ccc1,"InChI=1/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)",C11H12FNO3,,,,,,LKXNJLVPYPXTDY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.536,233-603-4,10264-18-3,Valeranilide,N-phenylpentanamide,CCCCC(=O)Nc1ccccc1,CCCCC(=O)Nc1ccccc1,"InChI=1/C11H15NO/c1-2-3-9-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)",C11H15NO,,,,,,PGMBORLSOHYBFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.541,233-609-7,10268-78-7,"N,N'-(m-phenylene)di(acetamide)","N,N'-1,3-phenylenediacetamide",CC(=O)Nc1cccc(NC(=O)C)c1,CC(=O)Nc1cccc(NC(=O)C)c1,"InChI=1/C10H12N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)",C10H12N2O2,,,,,,UQVKNKXDSWRQJE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.542,233-610-2,10271-44-0,"(3aa,4ß,5ß,7ß,7aa)-octahydro-4,7-methano-1H-inden-5-ol","octahydro-1H-4,7-methanoinden-5-ol",O[C@@H]1C[C@@H]2C[C@H]1[C@H]3CCC[C@@H]23,O[C@@H]1C[C@@H]2C[C@H]1[C@H]3CCC[C@@H]23,"InChI=1/C10H16O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2",C10H16O,,,,,,FKZJBAXKHJIQDU-BQHMLIOBSA-N,,,,,,,,,,,
100.030.543,233-611-8,10271-45-1,"(3aa,4a,5a,7a,7aa)-octahydro-4,7-methano-1H-inden-5-ol","octahydro-1H-4,7-methanoinden-5-ol",O[C@H]1C[C@H]2C[C@@H]1[C@H]3CCC[C@@H]23,O[C@H]1C[C@H]2C[C@@H]1[C@H]3CCC[C@@H]23,"InChI=1/C10H16O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2",C10H16O,,,,,,FKZJBAXKHJIQDU-KBDSZGMXSA-N,,,,,,,,,,,
100.030.544,233-612-3,10271-47-3,"(1a,3aß,4ß,7ß,7aß)-octahydro-4,7-methano-1H-inden-1-ol","octahydro-1H-4,7-methanoinden-1-ol",O[C@H]1CC[C@H]2[C@H]3CC[C@H](C3)[C@@H]12,O[C@H]1CC[C@H]2[C@H]3CC[C@H](C3)[C@@H]12,"InChI=1/C10H16O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-11H,1-5H2",C10H16O,,,,,,QIBGUXADVFUERT-CVPUBMOQSA-N,,,,,,,,,,,
100.030.546,233-614-4,10272-06-7,3-chloro-5-methoxyaniline,3-chloro-5-methoxyaniline,COc1cc(N)cc(Cl)c1,COc1cc(N)cc(Cl)c1,"InChI=1/C7H8ClNO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3",C7H8ClNO,,,,,,XLAVBRTYEPFKSD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.547,233-616-5,10272-07-8,"3,5-dimethoxyaniline","3,5-dimethoxyaniline",COc1cc(N)cc(OC)c1,COc1cc(N)cc(OC)c1,"InChI=1/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3",C8H11NO2,,,,,,WNRGWPVJGDABME-UHFFFAOYSA-N,,,,,,,,,,,
100.030.552,233-621-2,10277-04-0,2-[bis(2-hydroxyethyl)amino]ethyl oleate,2-[bis(2-hydroxyethyl)amino]ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCN(CCO)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)OCCN(CCO)CCO,"InChI=1/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h9-10,26-27H,2-8,11-23H2,1H3",C24H47NO4,,,,,,FTJUZCBLWZLXFR-KTKRTIGZSA-N,,,,,,,,,,,
100.030.555,233-624-9,10278-71-4,"N,N-dimethyl-N'-o-tolylformamidine","N,N-dimethyl-N'-(2-methylphenyl)imidoformamide",CN(C)C=Nc1ccccc1C,CN(C)C=Nc1ccccc1C,"InChI=1/C10H14N2/c1-9-6-4-5-7-10(9)11-8-12(2)3/h4-8H,1-3H3",C10H14N2,,,,,,VTJDEAHIKIEJET-UHFFFAOYSA-N,,,,,,,,,,,
100.030.561,233-631-7,10283-83-7,Bis(2-hydroxyethyl) succinate,bis(2-hydroxyethyl) succinate,OCCOC(=O)CCC(=O)OCCO,OCCOC(=O)CCC(=O)OCCO,"InChI=1/C8H14O6/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h9-10H,1-6H2",C8H14O6,,,,,,ZVAJQKOBULJJEX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.562,233-632-2,10284-64-7,Aluminium chloride dihydroxide,aluminum chloride dihydroxide,[OH-].[OH-].[Al+3].[Cl-],[OH-].[OH-].[Al+3].[Cl-],InChI=1/Al.ClH.2H2O/h;1H;2*1H2/q+3;;;/p-3,AlClH2O2,,,,,,YCLAMANSVUJYPT-UHFFFAOYSA-K,,,,,,,,,,,
100.030.564,233-634-3,10287-53-3,Ethyl 4-dimethylaminobenzoate,ethyl 4-(dimethylamino)benzoate,CCOC(=O)c1ccc(cc1)N(C)C,CCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3",C11H15NO2,,,,,,FZUGPQWGEGAKET-UHFFFAOYSA-N,Positive,SM880301,[M+H]+,HCD35,194.1175:166.0863:151.0628,CASMI_2016,,,,,
100.030.565,233-635-9,10287-54-4,Ethyl 4-diethylaminobenzoate,ethyl 4-(diethylamino)benzoate,CCOC(=O)c1ccc(cc1)N(CC)CC,CCOC(=O)c1ccc(cc1)N(CC)CC,"InChI=1/C13H19NO2/c1-4-14(5-2)12-9-7-11(8-10-12)13(15)16-6-3/h7-10H,4-6H2,1-3H3",C13H19NO2,,,,,,XPKFLEVLLPKCIW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.137,236-466-9,13390-52-8,"Trisodium anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15-triyl tris(sulphate)","trisodium anthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15-triyl trisulfate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c1ccc4c5ccc6c(OS(=O)(=O)[O-])c7ccccc7c8ccc(nc34)c5c68,[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c1ccc4c5ccc6c(OS(=O)(=O)[O-])c7ccccc7c8ccc(nc34)c5c68,"InChI=1/C31H17NO12S3.3Na/c33-45(34,35)42-29-19-6-2-1-5-15(19)16-13-14-24-26-17(9-11-22(29)25(16)26)18-10-12-23-27(28(18)32-24)31(44-47(39,40)41)21-8-4-3-7-20(21)30(23)43-46(36,37)38;;;/h1-14H,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3",C31H17NO12S3.3Na,,,,,,YTDLEQOJLBILDS-UHFFFAOYSA-K,,,,,,,,,,,
100.033.146,236-476-3,13393-93-6,"Tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol",abietan-18-ol,CC(C)C1CCC2C(CCC3C(C)(CO)CCCC23C)C1,CC(C)C1CCC2C(CCC3C(C)(CO)CCCC23C)C1,"InChI=1/C20H36O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h14-18,21H,5-13H2,1-4H3",C20H36O,,,,,,KBAYQFWFCOOCIC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.155,236-486-8,13399-90-1,"3-(4-chlorophenyl)-4,5-dihydro-1-[4-(vinylsulphonyl)phenyl]-1H-pyrazole","3-(4-chlorophenyl)-1-[4-(vinylsulfonyl)phenyl]-4,5-dihydro-1H-pyrazole",Clc1ccc(cc1)C2=NN(CC2)c3ccc(cc3)S(=O)(=O)C=C,Clc1ccc(cc1)C2=NN(CC2)c3ccc(cc3)S(=O)(=O)C=C,"InChI=1/C17H15ClN2O2S/c1-2-23(21,22)16-9-7-15(8-10-16)20-12-11-17(19-20)13-3-5-14(18)6-4-13/h2-10H,1,11-12H2",C17H15ClN2O2S,,,,,,VROWPEGBLSFFIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.266,266-313-1,66310-72-3,1-allyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde,1-allyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde,CC(=CCCC1=CCC(CC=C)(CC1)C=O)C,CC(=CCCC1=CCC(CC=C)(CC1)C=O)C,"InChI=1/C16H24O/c1-4-10-16(13-17)11-8-15(9-12-16)7-5-6-14(2)3/h4,6,8,13H,1,5,7,9-12H2,2-3H3",C16H24O,,,,,,YITNGWUNAUULCK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.268,266-315-2,66327-55-7,Ammonium 7-[[2-hydroxy-5-[(4-hydroxyphenyl)sulphonyl]phenyl]methyl](1-methylpropyl)naphthalene-2-sulphonate,ammonium 1-sec-butyl-7-{2-hydroxy-5-[(4-hydroxyphenyl)sulfonyl]benzyl}naphthalene-2-sulfonate,[NH4+].CCC(C)c1c(ccc2ccc(Cc3cc(ccc3O)S(=O)(=O)c4ccc(O)cc4)cc12)S(=O)(=O)[O-],[NH4+].CCC(C)c1c(ccc2ccc(Cc3cc(ccc3O)S(=O)(=O)c4ccc(O)cc4)cc12)S(=O)(=O)[O-],"InChI=1/C27H26O7S2.H3N/c1-3-17(2)27-24-15-18(4-5-19(24)6-13-26(27)36(32,33)34)14-20-16-23(11-12-25(20)29)35(30,31)22-9-7-21(28)8-10-22;/h4-13,15-17,28-29H,3,14H2,1-2H3,(H,32,33,34);1H3",C27H26O7S2.H3N,,,,,,NMYFGCSSOCVHPU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.272,266-319-4,66336-96-7,Zirconium acrylate,zirconium(2+) diacrylate,[Zr+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Zr+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Zr/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.xZr,,,,,,KQKWAHUUMJYZLA-UHFFFAOYSA-L,,,,,,,,,,,
100.060.273,266-321-5,66339-00-2,Ethyl (Z)-a-(hydroxyimino)-2-(tritylamino)thiazol-4-acetate hydrochloride,"ethyl (hydroxyimino)[2-(tritylamino)-1,3-thiazol-4-yl]acetate hydrochloride",Cl.CCOC(=O)\\C(=N/O)\\c1csc(NC(c2ccccc2)(c3ccccc3)c4ccccc4)n1,Cl.CCOC(=O)\C(=N/O)\c1csc(NC(c2ccccc2)(c3ccccc3)c4ccccc4)n1,"InChI=1/C26H23N3O3S.ClH/c1-2-32-24(30)23(29-31)22-18-33-25(27-22)28-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18,31H,2H2,1H3,(H,27,28);1H",C26H23N3O3S.ClH,,,,,,POPNOGAIIMCRTH-MBANDDHJSA-N,,,,,,,,,,,
100.060.275,266-323-6,66344-69-2,1-chloro-1-methylcyclooctane,1-chloro-1-methylcyclooctane,CC1(Cl)CCCCCCC1,CC1(Cl)CCCCCCC1,"InChI=1/C9H17Cl/c1-9(10)7-5-3-2-4-6-8-9/h2-8H2,1H3",C9H17Cl,,,,,,YXBVMMBBECLXQE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.277,266-325-7,66346-04-1,a-tert-butyl-ß-[(4-chlorophenyl)methyl]-1H-triazol-1-ethanol,"1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,3-triazol-1-yl)pentan-3-ol",CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2ccnn2,CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2ccnn2,"InChI=1/C15H20ClN3O/c1-15(2,3)14(20)13(19-9-8-17-18-19)10-11-4-6-12(16)7-5-11/h4-9,13-14,20H,10H2,1-3H3",C15H20ClN3O,,,,,,FDZWGKUPMDJLAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.281,266-329-9,66354-57-2,1-[bis(2-hydroxyethyl)amino]-3-(decyloxy)propan-2-ol,1-[bis(2-hydroxyethyl)amino]-3-(decyloxy)propan-2-ol,CCCCCCCCCCOCC(O)CN(CCO)CCO,CCCCCCCCCCOCC(O)CN(CCO)CCO,"InChI=1/C17H37NO4/c1-2-3-4-5-6-7-8-9-14-22-16-17(21)15-18(10-12-19)11-13-20/h17,19-21H,2-16H2,1H3",C17H37NO4,,,,,,COMSLVZXDHSHPO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.286,266-335-1,66375-36-8,"4,4-dimethyloxazolidinium toluenesulphonate","4,4-dimethyl-1,3-oxazolidin-3-ium 2-methylbenzenesulfonate",Cc1ccccc1S(=O)(=O)[O-].CC2(C)COC[NH2+]2,Cc1ccccc1S(=O)(=O)[O-].CC2(C)COC[NH2+]2,"InChI=1/C7H8O3S.C5H11NO/c1-6-4-2-3-5-7(6)11(8,9)10;1-5(2)3-7-4-6-5/h2-5H,1H3,(H,8,9,10);6H,3-4H2,1-2H3",C7H8O3S.C5H11NO,,,,,,RGJCMMCMGCMXGB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.465,236-828-6,13501-76-3,(3-chloropropyl)diethoxymethylsilane,"(4-chloro-1,1-diethoxybutyl)silane",CCOC([SiH3])(CCCCl)OCC,CCOC([SiH3])(CCCCl)OCC,"InChI=1/C8H19ClO2Si/c1-3-10-8(12,11-4-2)6-5-7-9/h3-7H2,1-2,12H3",C8H19ClO2Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5347,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.465,PLIQJFWLOPQNGV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.466,236-829-1,13502-13-1,Sodium tetradecene-1-sulphonate,sodium tetradec-1-ene-1-sulfonate,[Na+].O=S(=O)([O-])C=CCCCCCCCCCCCC,[Na+].O=S(=O)([O-])C=CCCCCCCCCCCCC,"InChI=1/C14H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1",C14H28O3S.Na,,,,,,RUTSRVMUIGMTHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.033.469,236-832-8,13505-34-5,"Heptane-2,6-dione","heptane-2,6-dione",CC(=O)CCCC(=O)C,CC(=O)CCCC(=O)C,"InChI=1/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3",C7H12O2,,,,,,VAIFYHGFLAPCON-UHFFFAOYSA-N,,,,,,,,,,,
100.033.492,236-857-4,13517-10-7,Boron triiodide,boron triiodide,[I-].[I-].[I-].[BH6+3],[I-].[I-].[I-].[BH6+3],InChI=1/BH3.3HI/h1H3;3*1H/q+3;;;/p-3,BI3,,,,,,RFYLPROHKHKUBQ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.494,236-860-0,13518-93-9,"Diphosphoric acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)","diphosphoric acid - 1,3,5-triazine-2,4,6-triamine (1:2)",Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OP(=O)(O)OP(=O)(O)O,Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OP(=O)(O)OP(=O)(O)O,"InChI=1/2C3H6N6.H4O7P2/c2*4-1-7-2(5)9-3(6)8-1;1-8(2,3)7-9(4,5)6/h2*(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)",C3H6N6.1/2H4O7P2,,,,,,CZQYVJUCYIRDFR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.001,238-518-6,14513-34-9,3-(dimethoxymethylsilyl)propyl methacrylate,3-[dimethoxy(methyl)silyl]propyl methacrylate,CO[Si](C)(CCCOC(=O)C(=C)C)OC,CO[Si](C)(CCCOC(=O)C(=C)C)OC,"InChI=1/C10H20O4Si/c1-9(2)10(11)14-7-6-8-15(5,12-3)13-4/h1,6-8H2,2-5H3",C10H20O4Si,,,,,,LZMNXXQIQIHFGC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.787,261-386-6,58672-61-0,4-[benzyl(ethyl)amino]benzenediazonium tetrafluoroborate,4-[benzyl(ethyl)amino]benzenediazonium tetrafluoroborate,CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N.F[B-](F)(F)F,CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N.F[B-](F)(F)F,"InChI=1/C15H16N3.BF4/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;2-1(3,4)5/h3-11H,2,12H2,1H3;/q+1;-1",C15H16N3.BF4,,,,,,CYOCOPFRHXZYGA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.789,261-388-7,58683-70-8,"2,4,5-tribromocumene","1,2,4-tribromo-5-isopropylbenzene",CC(C)c1cc(Br)c(Br)cc1Br,CC(C)c1cc(Br)c(Br)cc1Br,"InChI=1/C9H9Br3/c1-5(2)6-3-8(11)9(12)4-7(6)10/h3-5H,1-2H3",C9H9Br3,,,,,,PVLAYJSXFLUWPB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.798,261-398-1,58704-54-4,Dinitro-o-xylene,"1,2-dimethyl-3,4-dinitrobenzene",Cc1ccc(c(c1C)[N+](=O)[O-])[N+](=O)[O-],Cc1ccc(c(c1C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-5-3-4-7(9(11)12)8(6(5)2)10(13)14/h3-4H,1-2H3",C8H8N2O4,,,,,,VLKYKLNZVULGQK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.799,261-399-7,58705-93-4,"1,1,1,2,3,3-hexafluoro-4-methoxybutane","1,1,1,2,3,3-hexafluoro-4-methoxybutane",COCC(F)(F)C(F)C(F)(F)F,COCC(F)(F)C(F)C(F)(F)F,"InChI=1/C5H6F6O/c1-12-2-4(7,8)3(6)5(9,10)11/h3H,2H2,1H3",C5H6F6O,,,,,,XHVKFIIHYDDMQB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.804,261-404-2,58721-74-7,"1,2,3,8-tetrahydro-1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-7H-pyrrolo[3,2-g]quinolin-7-one","1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]quinolin-7-one",CC1N(C)c2cc3N(C)C(=O)C=C(c3cc2C1(C)C)C(F)(F)F,CC1N(C)c2cc3N(C)C(=O)C=C(c3cc2C1(C)C)C(F)(F)F,"InChI=1/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3",C17H19F3N2O,,,,,,IOUKYANHUBKAIN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.809,261-410-5,58725-47-6,N2-(1-oxohexadecyl)-L-arginine,N~2~-palmitoyl-L-arginine,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C22H44N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(27)26-19(21(28)29)16-15-18-25-22(23)24/h19H,2-18H2,1H3,(H,26,27)(H,28,29)(H4,23,24,25)",C22H44N4O3,,,,,,DENIQPHQUIGDJZ-IBGZPJMESA-N,,,,,,,,,,,
100.055.277,260-824-3,57576-44-0,Aclarubicin,"methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl]-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate",CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC,CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC,"InChI=1/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3",C42H53NO15,,,,,,USZYSDMBJDPRIF-SVEJIMAYSA-N,,,,,,,,,,,
100.055.281,260-829-0,57583-35-4,"2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCC(CC)COC(=O)CS[Sn](C)(C)SCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CS[Sn](C)(C)SCC(=O)OCC(CC)CCCC,"InChI=1/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2/rC22H44O4S2Sn/c1-7-11-13-19(9-3)15-25-21(23)17-27-29(5,6)28-18-22(24)26-16-20(10-4)14-12-8-2/h19-20H,7-18H2,1-6H3",C22H44O4S2Sn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14993,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.281,YAHBZWSDRFSFOO-UHFFFAOYSA-L,,,,,,,,,,,
100.055.285,260-833-2,57583-72-9,"5-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate","5-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",CN3/C=N\\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.[O-]S(=O)(=O)OC,CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.[O-]S(=O)(=O)OC,"InChI=1/C18H22N6.CH4O4S/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-5-6(2,3)4/h4-12,14,18H,13H2,1-3H3;1H3,(H,2,3,4)",C18H21N6.CH3O4S,,,,,,OJOFEQZVVKCEMC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.290,260-839-5,57592-59-3,"Benzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","2,2',2''-nitrilotriethanol benzenesulfonate (salt)",OCCN(CCO)CCO.OS(=O)(=O)c1ccccc1,OCCN(CCO)CCO.OS(=O)(=O)c1ccccc1,"InChI=1/C6H15NO3.C6H6O3S/c8-4-1-7(2-5-9)3-6-10;7-10(8,9)6-4-2-1-3-5-6/h8-10H,1-6H2;1-5H,(H,7,8,9)",C6H15NO3.C6H6O3S,,,,,,AVZMHCLRAZFNHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.291,260-840-0,57593-01-8,Magnesium diicosanoate,magnesium diicosanoate,[Mg+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C20H40O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2",C20H40O2.1/2Mg,,,,,,WMJYMUUIWPPMGJ-UHFFFAOYSA-L,,,,,,,,,,,
100.055.295,260-844-2,57605-17-1,1-[(morpholinecarbonyl)oxy]pyridinium chloride,1-[(morpholin-2-ylcarbonyl)oxy]pyridinium chloride,[Cl-].O=C(O[n+]1ccccc1)C2CNCCO2,[Cl-].O=C(O[n+]1ccccc1)C2CNCCO2,"InChI=1/C10H13N2O3.ClH/c13-10(9-8-11-4-7-14-9)15-12-5-2-1-3-6-12;/h1-3,5-6,9,11H,4,7-8H2;1H/q+1;/p-1",C10H13N2O3.Cl,,,,,,IHIQQWNCVPIOSB-UHFFFAOYSA-M,,,,,,,,,,,
100.037.787,241-582-8,17609-52-8,(R)-[[(phenylmethoxy)carbonyl]amino]phenylacetic acid,{[(benzyloxy)carbonyl]amino}(phenyl)acetic acid,OC(=O)[C@H](NC(=O)OCc1ccccc1)c2ccccc2,OC(=O)[C@H](NC(=O)OCc1ccccc1)c2ccccc2,"InChI=1/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)",C16H15NO4,,,,,,RLDJWBVOZVJJOS-CQSZACIVSA-N,,,,,,,,,,,
100.037.797,241-593-8,17618-32-5,"Nonanoic acid, compound with 2,2'-iminodiethanol (1:1)","nonanoic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCCC(=O)O.OCCNCCO,CCCCCCCCC(=O)O.OCCNCCO,"InChI=1/C9H18O2.C4H11NO2/c1-2-3-4-5-6-7-8-9(10)11;6-3-1-5-2-4-7/h2-8H2,1H3,(H,10,11);5-7H,1-4H2",C9H18O2.C4H11NO2,,,,,,NUDYKAHLTJJPII-UHFFFAOYSA-N,,,,,,,,,,,
100.037.798,241-594-3,17619-36-2,Methyl propyl trisulphide,1-methyl-3-propyltrisulfane,CCCSSSC,CCCSSSC,"InChI=1/C4H10S3/c1-3-4-6-7-5-2/h3-4H2,1-2H3",C4H10S3,,,,,,ZOYASYRPGHCQHW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.801,241-598-5,17622-94-5,Tetrakis(2-hydroxyethyl) orthosilicate,tetrakis(2-hydroxyethyl) orthosilicate,OCCO[Si](OCCO)(OCCO)OCCO,OCCO[Si](OCCO)(OCCO)OCCO,"InChI=1/C8H20O8Si/c9-1-5-13-17(14-6-2-10,15-7-3-11)16-8-4-12/h9-12H,1-8H2",C8H20O8Si,,,,,,URFIZJRFOOZIBS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.810,241-608-8,17627-41-7,Hexyl 3-methyl-2-butenoate,hexyl 3-methylbut-2-enoate,CCCCCCOC(=O)C=C(C)C,CCCCCCOC(=O)C=C(C)C,"InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h9H,4-8H2,1-3H3",C11H20O2,,,,,,OGBQOQXYUCEIHB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.811,241-609-3,17627-43-9,"4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane","4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0~4,6~]dodecane",CC1(C)CC2C1CCC3(C)OC3CCC2=C,CC1(C)CC2C1CCC3(C)OC3CCC2=C,"InChI=1/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3",C15H24O,,,,,,NVEQFIOZRFFVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.819,241-618-2,17635-21-1,"2,3,6-trimethylquinoxaline","2,3,6-trimethylquinoxaline",Cc1ccc2nc(C)c(C)nc2c1,Cc1ccc2nc(C)c(C)nc2c1,"InChI=1/C11H12N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-6H,1-3H3",C11H12N2,,,,,,GQRWKGBOBWHKHP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.063,238-586-7,14548-46-0,Phenyl 4-pyridyl ketone,phenyl(pyridin-4-yl)methanone,O=C(c1ccccc1)c2ccncc2,O=C(c1ccccc1)c2ccncc2,InChI=1/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H,C12H9NO,,,,,,SKFLCXNDKRUHTA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.077,238-601-7,14553-44-7,Thorium(4+) silicate,thorium(4+) bis(oxosilanediolate),[Th+4].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Th+4].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2O3Si.Th/c2*1-4(2)3;/q2*-2;+4,H4O4Si.Th,,,,,,HILGEKJGFMSCTO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.080,238-604-3,14562-04-0,(tosyloxy)acetonitrile,cyanomethyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OCC#N,Cc1ccc(cc1)S(=O)(=O)OCC#N,"InChI=1/C9H9NO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,7H2,1H3",C9H9NO3S,,,,,,PFXOLUYGXYEFOR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.083,238-608-5,14564-74-0,Potassium 4-dodecylbenzenesulphonate,potassium 4-dodecylbenzenesulfonate,[K+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[K+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C18H30O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1",C18H30O3S.K,,,,,,CVZUNXUUYQKGKS-UHFFFAOYSA-M,,,,,,,,,,,
100.035.087,238-612-7,14569-76-7,But-2-ynylene bis(chloroacetate),"but-2-yne-1,4-diyl bis(chloroacetate)",ClCC(=O)OCC#CCOC(=O)CCl,ClCC(=O)OCC#CCOC(=O)CCl,InChI=1/C8H8Cl2O4/c9-5-7(11)13-3-1-2-4-14-8(12)6-10/h3-6H2,C8H8Cl2O4,,,,,,GJBMLYJEBNBVPR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.093,238-619-5,14575-93-0,"[1S-(1a,2ß,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one","2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",CC1C2CC(CC1=O)C2(C)C,CC1C2CC(CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,MQPHVIPKLRXGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.680,238-165-8,14273-89-3,Methyl 6-chlorohexanoate,methyl 6-chlorohexanoate,COC(=O)CCCCCCl,COC(=O)CCCCCCl,"InChI=1/C7H13ClO2/c1-10-7(9)5-3-2-4-6-8/h2-6H2,1H3",C7H13ClO2,,,,,,RZYHYFOTLPEKJO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.684,238-170-5,14277-14-6,"Dodeca-4,8-dienedioic acid","dodeca-4,8-dienedioic acid",OC(=O)CCC=CCCC=CCCC(O)=O,OC(=O)CCC=CCCC=CCCC(O)=O,"InChI=1/C12H18O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h3-6H,1-2,7-10H2,(H,13,14)(H,15,16)",C12H18O4,,,,,,WPSFKKQQTBEENR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.685,238-171-0,14277-16-8,Oct-4-enedioic acid,oct-4-enedioic acid,OC(=O)CCC=CCCC(O)=O,OC(=O)CCC=CCCC(O)=O,"InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)",C8H12O4,,,,,,LQVYKEXVMZXOAH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.695,238-182-0,14284-24-3,Calcium(2+) zirconium(4+) silicate,-,[Ca+2].[Zr+4].[O-][Si](=O)[O-],[Ca+2].[Zr+4].[O-][Si](=O)[O-],InChI=1/Ca.O3Si.Zr/c;1-4(2)3;/q+2;-2;+4,Ca.2H2O3Si.1/2Zr,,,,,,UJJDEBIEUUCNRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.701,238-188-3,14284-89-0,Manganese tris(4-oxopent-2-en-2-oate),manganese(3+) tris(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Mn](OC(=CC(=O)C)C)OC(=CC(=O)C)C,CC(=O)C=C(C)O[Mn](OC(=CC(=O)C)C)OC(=CC(=O)C)C,"InChI=1/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3",C15H21MnO6,,,,,,HYZQBNDRDQEWAN-UHFFFAOYSA-K,,,,,,,,,,,
100.033.159,236-491-5,13401-85-9,Butyl 2-chloroacrylate,butyl 2-chloroacrylate,CCCCOC(=O)C(=C)Cl,CCCCOC(=O)C(=C)Cl,"InChI=1/C7H11ClO2/c1-3-4-5-10-7(9)6(2)8/h2-5H2,1H3",C7H11ClO2,,,,,,JJFAJTXZGDAWTR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.164,236-496-2,13403-24-2,"4,6-O-ethylidene-D-glucose","4,6-O-ethylidene-D-glucose",CC1OC[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)C=O,CC1OC[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)C=O,"InChI=1/C8H14O6/c1-4-13-3-6(11)8(14-4)7(12)5(10)2-9/h2,4-8,10-12H,3H2,1H3",C8H14O6,,,,,,CYJNDOQNVXFIJC-XUQKIGAKSA-N,,,,,,,,,,,
100.033.170,236-502-3,13410-58-7,"2,2'-[(1-methylethylidene)bis(cyclohexane-4,1-diyloxymethylene)]bisoxirane","2,2'-[propane-2,2-diylbis(cyclohexane-4,1-diyloxymethylene)]dioxirane",CC(C)(C1CCC(CC1)OCC2CO2)C3CCC(CC3)OCC4CO4,CC(C)(C1CCC(CC1)OCC2CO2)C3CCC(CC3)OCC4CO4,"InChI=1/C21H36O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h15-20H,3-14H2,1-2H3",C21H36O4,,,,,,GZPRASLJQIBVDP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.175,236-508-6,13414-55-6,"2,3-dihydro-2,2-dimethyl-7-nitrobenzofuran","2,2-dimethyl-7-nitro-2,3-dihydro-1-benzofuran",CC1(C)Cc2cccc(c2O1)[N+](=O)[O-],CC1(C)Cc2cccc(c2O1)[N+](=O)[O-],"InChI=1/C10H11NO3/c1-10(2)6-7-4-3-5-8(11(12)13)9(7)14-10/h3-5H,6H2,1-2H3",C10H11NO3,,,,,,ZQZNLPNVEXRNNG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.176,236-509-1,13414-58-9,2-(2-methylallyl)-6-nitrophenol,2-(2-methylprop-2-en-1-yl)-6-nitrophenol,CC(=C)Cc1cccc(c1O)[N+](=O)[O-],CC(=C)Cc1cccc(c1O)[N+](=O)[O-],"InChI=1/C10H11NO3/c1-7(2)6-8-4-3-5-9(10(8)12)11(13)14/h3-5,12H,1,6H2,2H3",C10H11NO3,,,,,,MBISKJZSPFHJSO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.177,236-510-7,13414-95-4,"4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene","6,7-dihydro-1-benzothiophen-4(5H)-one",O=C1CCCc2sccc12,O=C1CCCc2sccc12,"InChI=1/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2",C8H8OS,,,,,,GJEKNELSXNSYAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.180,236-513-3,13417-01-1,N-[3-(dimethylamino)propyl]heptadecafluorooctanesulphonamide,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H13F17N2O2S/c1-32(2)5-3-4-31-35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h31H,3-5H2,1-2H3",C13H13F17N2O2S,,,,,,MSJXTBMNRCTIDR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.728,260-219-4,56488-00-7,1-[2-cyano-1-(cyanoimino)ethyl]piperidine,(2-cyano-1-piperidin-1-ylethylidene)cyanamide,N#CCC(=NC#N)N1CCCCC1,N#CCC(=NC#N)N1CCCCC1,"InChI=1/C9H12N4/c10-5-4-9(12-8-11)13-6-2-1-3-7-13/h1-4,6-7H2",C9H12N4,,,,,,CXAPGRNCBJXCEF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.730,260-222-0,56496-86-7,"Disodium 4,4'-azobis[4-cyanovalerate]","disodium 4,4'-diazene-1,2-diylbis(4-cyanopentanoate)",[Na+].[Na+].[O-]C(=O)CCC(C)(N=NC(C)(CCC([O-])=O)C#N)C#N,[Na+].[Na+].[O-]C(=O)CCC(C)(N=NC(C)(CCC([O-])=O)C#N)C#N,"InChI=1/C12H16N4O4.2Na/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20;;/h3-6H2,1-2H3,(H,17,18)(H,19,20);;/q;2*+1/p-2",C12H16N4O4.xNa,,,,,,ICCKYZGDUAOTHD-UHFFFAOYSA-L,,,,,,,,,,,
100.054.733,260-225-7,56499-46-8,7-amino-4-hydroxy-3-[[2-sulpho-4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid,7-amino-4-hydroxy-3-({2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc3c(cc2cc(N)ccc2c3O)S(O)(=O)=O)c(c4)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc3c(cc2cc(N)ccc2c3O)S(O)(=O)=O)c(c4)S(O)(=O)=O,"InChI=1/C22H17N5O10S3/c23-13-1-7-17-12(9-13)10-20(40(35,36)37)21(22(17)28)27-26-18-8-4-15(11-19(18)39(32,33)34)25-24-14-2-5-16(6-3-14)38(29,30)31/h1-11,28H,23H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)",C22H17N5O10S3,,,,,,KJGZONUYPWSTFF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.876,260-383-7,56784-39-5,Ozolinone,"ethyl (3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate",CN1C(=O)C(SC1=CC(=O)OCC)N2CCCCC2,CN1C(=O)C(SC1=CC(=O)OCC)N2CCCCC2,"InChI=1/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3",C11H16N2O3S,,,,,,ZCKKHYXUQFTBIK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.877,260-384-2,56796-20-4,Cefmetazole,7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,"InChI=1/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)",C15H17N7O5S3,,,,,,SNBUBQHDYVFSQF-HIFRSBDPSA-N,,,,,,,,,,,
100.054.879,260-386-3,56797-01-4,Cerium tris(2-ethylhexanoate),cerium(3+) tris(2-ethylhexanoate),[Ce+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ce+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Ce/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Ce,,,,,,GGVUYAXGAOIFIC-UHFFFAOYSA-K,,,,,,,,,,,
100.054.880,260-387-9,56797-10-5,Tetrakis(2-methyl-2-phenylpropyl)zirconium,tetrakis(2-methyl-2-phenylpropyl)zirconium,CC(C)(C[Zr](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)CC(C)(C)c3ccccc3)c4ccccc4,CC(C)(C[Zr](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)CC(C)(C)c3ccccc3)c4ccccc4,"InChI=1/4C10H13.Zr/c4*1-10(2,3)9-7-5-4-6-8-9;/h4*4-8H,1H2,2-3H3;/rC40H52Zr/c1-37(2,33-21-13-9-14-22-33)29-41(30-38(3,4)34-23-15-10-16-24-34,31-39(5,6)35-25-17-11-18-26-35)32-40(7,8)36-27-19-12-20-28-36/h9-28H,29-32H2,1-8H3",C40H52Zr,,,,,,VSKUGEFWRDJTPS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.002,238-519-1,14515-08-3,"Disodium 4,4'-[(2,4-diamino-1,3-phenylene)bis(azo)]bis[benzenesulphonate]","disodium 4,4'-[(2,4-diamino-1,3-phenylene)didiazene-2,1-diyl]dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3ccc(N)c(N=Nc2ccc(cc2)S([O-])(=O)=O)c3N,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3ccc(N)c(N=Nc2ccc(cc2)S([O-])(=O)=O)c3N,"InChI=1/C18H16N6O6S2.2Na/c19-15-9-10-16(23-21-11-1-5-13(6-2-11)31(25,26)27)17(20)18(15)24-22-12-3-7-14(8-4-12)32(28,29)30;;/h1-10H,19-20H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C18H16N6O6S2.2Na,,,,,,QUZGSNHKMPHMEI-UHFFFAOYSA-L,,,,,,,,,,,
100.035.009,238-527-5,14518-63-9,Lanthanum(3+) benzoate,lanthanum tribenzoate,[La+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,[La+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3,"InChI=1/3C7H6O2.La/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3",C7H6O2.1/3La,,,,,,ILRDAEXCKRFJPK-UHFFFAOYSA-K,,,,,,,,,,,
100.033.088,236-412-4,13360-57-1,Dimethylsulphamoyl chloride,dimethylsulfamoyl chloride,CN(C)S(=O)(=O)Cl,CN(C)S(=O)(=O)Cl,"InChI=1/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3",C2H6ClNO2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1978,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.088,JFCHSQDLLFJHOA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.089,236-414-5,13360-61-7,Pentadec-1-ene,pentadec-1-ene,CCCCCCCCCCCCCC=C,CCCCCCCCCCCCCC=C,"InChI=1/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3",C15H30,,,,,,PJLHTVIBELQURV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.095,236-420-8,13360-94-6,Butyl diphenylphosphinite,butyl diphenylphosphinite,CCCCOP(c1ccccc1)c2ccccc2,CCCCOP(c1ccccc1)c2ccccc2,"InChI=1/C16H19OP/c1-2-3-14-17-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3",C16H19OP,,,,,,VMUAFIWZWXGPGP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.099,236-425-5,13361-34-7,2-ethylhexyl cyanoacetate,2-ethylhexyl cyanoacetate,CCCCC(CC)COC(=O)CC#N,CCCCC(CC)COC(=O)CC#N,"InChI=1/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3",C11H19NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1727,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.099,ZNYBQVBNSXLZNI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.100,236-426-0,13361-53-0,Hexyl cyanoacetate,hexyl cyanoacetate,CCCCCCOC(=O)CC#N,CCCCCCOC(=O)CC#N,"InChI=1/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3",C9H15NO2,,,,,,PWKKBTPSCGLYBR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.103,236-429-7,13362-33-9,2-methyl-p-benzoquinone 4-oxime,"2-methyl-1,4-benzoquinone 4-oxime",CC1=CC(=NO)C=CC1=O,CC1=CC(=NO)C=CC1=O,"InChI=1/C7H7NO2/c1-5-4-6(8-10)2-3-7(5)9/h2-4,10H,1H3",C7H7NO2,,,,,,RHJFWUBYCHBQCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.108,236-434-4,13364-32-4,Clobenzorex,N-(2-chlorobenzyl)-1-phenylpropan-2-amine,CC(Cc1ccccc1)NCc2ccccc2Cl,CC(Cc1ccccc1)NCc2ccccc2Cl,"InChI=1/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3",C16H18ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17220,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.108,LRXXRIXDSAEIOR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.113,236-440-7,13370-48-4,"(4-chloro-2,5-dimethylphenoxy)acetic acid","(4-chloro-2,5-dimethylphenoxy)acetic acid",Cc1cc(OCC(=O)O)c(C)cc1Cl,Cc1cc(OCC(=O)O)c(C)cc1Cl,"InChI=1/C10H11ClO3/c1-6-4-9(14-5-10(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13)",C10H11ClO3,,,,,,FYSOXVMOZFIWIU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.120,236-448-0,13372-80-0,4-(isopropyl)benzaldehyde oxime,4-isopropylbenzaldehyde oxime,CC(C)c1ccc(\\C=N\\O)cc1,CC(C)c1ccc(\C=N\O)cc1,"InChI=1/C10H13NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3-8,12H,1-2H3",C10H13NO,,,,,,NVKXBDITZDURNJ-YRNVUSSQSA-N,,,,,,,,,,,
100.033.121,236-449-6,13372-81-1,Cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,O\\N=C\\C=C\\c1ccccc1,O\N=C\C=C\c1ccccc1,"InChI=1/C9H9NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-8,11H",C9H9NO,,,,,,RUQDOYIAKHIMAN-DAAQNPAKSA-N,,,,,,,,,,,
100.034.626,238-106-6,14235-77-9,3-(hydroxymethyl)pyrocatechol,"3-(hydroxymethyl)benzene-1,2-diol",OCc1cccc(O)c1O,OCc1cccc(O)c1O,"InChI=1/C7H8O3/c8-4-5-2-1-3-6(9)7(5)10/h1-3,8-10H,4H2",C7H8O3,,,,,,UBFALTGHGHULNL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.631,238-111-3,14239-23-7,"2,5-dichlorobenzenediazonium tetrachlorozincate (2:1)","bis(2,5-dichlorobenzenediazonium) tetrachlorozincate(2-)",Clc1ccc(Cl)c(c1)[N+]#N.Clc2ccc(Cl)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,Clc1ccc(Cl)c(c1)[N+]#N.Clc2ccc(Cl)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C6H3Cl2N2.4ClH.Zn/c2*7-4-1-2-5(8)6(3-4)10-9;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4/r2C6H3Cl2N2.Cl4Zn/c2*7-4-1-2-5(8)6(3-4)10-9;1-5(2,3)4/h2*1-3H;/q2*+1;-2",C6H3Cl2N2.1/2Cl4Zn,,,,,,ZPPYKHORKPVTPP-UHFFFAOYSA-J,,,,,,,,,,,
100.031.452,234-611-0,12015-92-8,Diammonium pentachlorohydroxyosmate(2-),diammonium pentachloro(hydroxy)osmate(2-),[NH4+].[NH4+].O[Os-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].O[Os-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/5ClH.2H3N.H2O.Os/h5*1H;2*1H3;1H2;/q;;;;;;;;+6/p-4/rCl5HOOs.2H3N/c1-7(2,3,4,5)6;;/h6H;2*1H3/p+2",Cl5HOOs.2H4N,,,,,,NIMWTNKTODYYRQ-UHFFFAOYSA-J,,,,,,,,,,,
100.031.460,234-619-4,12017-43-5,"Cobalt, compound with samarium (2:1)",cobalt - samarium (2:1),[Co].[Co].[Sm],[Co].[Co].[Sm],InChI=1/2Co.Sm/q3*+2,Co.Sm,,,,,,QJNPLUUKHIGHOW-UHFFFAOYSA-N,,,,,,,,,,,
100.031.462,234-622-0,12017-61-7,"Cobalt, compound with gadolinium (5:1)",cobalt - gadolinium (5:1),[Co].[Co].[Co].[Co].[Co].[Gd],[Co].[Co].[Co].[Co].[Co].[Gd],InChI=1/5Co.Gd/q5*+2;+3,Co.Gd,,,,,,PPYDGEQIESHWIA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.463,234-623-6,12017-65-1,"Cobalt, compound with neodymium (5:1)",cobalt - neodymium (5:1),[Co].[Co].[Co].[Co].[Co].[Nd],[Co].[Co].[Co].[Co].[Co].[Nd],InChI=1/5Co.Nd/q5*+2;+3,Co.Nd,,,,,,KFHFWTZSOMMUIT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.300,260-850-5,57615-05-1,"Ethyl 2-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate","ethyl 2-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate",CCOC(=O)c1cn2nc(O)cc2nc1C,CCOC(=O)c1cn2nc(O)cc2nc1C,"InChI=1/C10H11N3O3/c1-3-16-10(15)7-5-13-8(11-6(7)2)4-9(14)12-13/h4-5H,3H2,1-2H3,(H,12,14)",C10H11N3O3,,,,,,ZUAAVNLKGAEZDG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.303,260-853-1,57618-25-4,Sodium (S)-3-phenyllactate,sodium 2-hydroxy-3-phenylpropanoate,[Na+].O[C@@H](Cc1ccccc1)C(=O)[O-],[Na+].O[C@@H](Cc1ccccc1)C(=O)[O-],"InChI=1/C9H10O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2,(H,11,12);/q;+1/p-1",C9H10O3.Na,,,,,,DVSAFLNBVQKEKE-QRPNPIFTSA-M,,,,,,,,,,,
100.055.311,260-862-0,57632-68-5,"(±)-1-benzoyl-N,N-diethyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-diethyl-5-oxoprolinamide",CCN(CC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CCN(CC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C16H20N2O3/c1-3-17(4-2)16(21)13-10-11-14(19)18(13)15(20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",C16H20N2O3,,,,,,BQWDCWDJASHHKV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.173,262-910-6,61694-97-1,5-(methylthio)-o-anisic acid,2-methoxy-5-(methylsulfanyl)benzoic acid,COc1ccc(SC)cc1C(=O)O,COc1ccc(SC)cc1C(=O)O,"InChI=1/C9H10O3S/c1-12-8-4-3-6(13-2)5-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O3S,,,,,,QTKWJUXASAOROX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.175,262-912-7,61699-38-5,Cyclooctyl methyl carbonate,cyclooctyl methyl carbonate,COC(=O)OC1CCCCCCC1,COC(=O)OC1CCCCCCC1,"InChI=1/C10H18O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3",C10H18O3,,,,,,MCNKZOMTVSVVSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.182,262-920-0,61702-57-6,"Dioctadecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","dioctadecyl hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC.OCCN(CCO)CCO,"InChI=1/C36H75O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-36H2,1-2H3,(H,37,38);8-10H,1-6H2",C36H75O4P.C6H15NO3,,,,,,SJZZDLZBGLQGCG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.185,262-923-7,61702-61-2,"N,N'-ethane-1,2-diylbis(N-ethylstearamide)","N,N'-ethane-1,2-diylbis(N-ethyloctadecanamide)",CCCCCCCCCCCCCCCCCC(=O)N(CC)CCN(CC)C(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)N(CC)CCN(CC)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H84N2O2/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(45)43(7-3)39-40-44(8-4)42(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-40H2,1-4H3",C42H84N2O2,,,,,,SBNDFCBFYATLME-UHFFFAOYSA-N,,,,,,,,,,,
100.057.192,262-931-0,61702-94-1,Dipentylnaphthalenesulphonic acid,"2,3-dipentylnaphthalene-1-sulfonic acid",CCCCCc1cc2ccccc2c(c1CCCCC)S(=O)(=O)O,CCCCCc1cc2ccccc2c(c1CCCCC)S(=O)(=O)O,"InChI=1/C20H28O3S/c1-3-5-7-11-16-15-17-12-9-10-14-19(17)20(24(21,22)23)18(16)13-8-6-4-2/h9-10,12,14-15H,3-8,11,13H2,1-2H3,(H,21,22,23)",C20H28O3S,,,,,,ZHCSPYKWNQONPB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.201,262-941-5,61733-23-1,"4-pentylphenyl 4'-heptyl[1,1'-biphenyl]-4-carboxylate",4-pentylphenyl 4'-heptylbiphenyl-4-carboxylate,CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(CCCCC)cc3,CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(CCCCC)cc3,"InChI=1/C31H38O2/c1-3-5-7-8-10-12-25-13-17-27(18-14-25)28-19-21-29(22-20-28)31(32)33-30-23-15-26(16-24-30)11-9-6-4-2/h13-24H,3-12H2,1-2H3",C31H38O2,,,,,,PDQIXOGFLRWAKG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.206,262-946-2,61745-55-9,Barium N-(1-oxooctadecyl)-L-glutamate (1:1),barium 2-(stearoylamino)pentanedioate,[Ba].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Ba].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C23H43NO5.Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2",C23H43NO5.Ba,,,,,,UBVZJXUEUHKNQA-BDQAORGHSA-L,,,,,,,,,,,
100.057.207,262-947-8,61745-56-0,Zinc N-(1-oxooctadecyl)-L-glutamate (1:1),zinc 2-(stearoylamino)pentanedioate,[Zn].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Zn].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C23H43NO5.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2",C23H43NO5.Zn,,,,,,JULWYGGDPOPQDN-BDQAORGHSA-L,,,,,,,,,,,
100.061.751,267-946-6,67953-19-9,"Bis(1,3-dimethylbutyl) 2-butenedioate","bis(1,3-dimethylbutyl) but-2-enedioate",CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C,CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C,"InChI=1/C16H28O4/c1-11(2)9-13(5)19-15(17)7-8-16(18)20-14(6)10-12(3)4/h7-8,11-14H,9-10H2,1-6H3",C16H28O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16468,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.751,NZQQFMVULBBDSP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.753,267-948-7,67953-27-9,8-methylnonyl oleate,8-methylnonyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCCCCCC(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h11-12,27H,4-10,13-26H2,1-3H3",C28H54O2,,,,,,ODMZDMMTKHXXKA-QXMHVHEDSA-N,,,,,,,,,,,
100.061.761,267-957-6,67953-77-9,(dibutylamino)methanol,(dibutylamino)methanol,CCCCN(CO)CCCC,CCCCN(CO)CCCC,"InChI=1/C9H21NO/c1-3-5-7-10(9-11)8-6-4-2/h11H,3-9H2,1-2H3",C9H21NO,,,,,,JPMXTFALJXQHJL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.764,267-960-2,67968-07-4,"Exo-3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acrylic acid","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acrylic acid",CC1(C)C2CCC(C2)C1\\C=C\\C(=O)O,CC1(C)C2CCC(C2)C1\C=C\C(=O)O,"InChI=1/C12H18O2/c1-12(2)9-4-3-8(7-9)10(12)5-6-11(13)14/h5-6,8-10H,3-4,7H2,1-2H3,(H,13,14)",C12H18O2,,,,,,XSLQITRSSLYXKT-AATRIKPKSA-N,,,,,,,,,,,
100.034.716,238-204-9,14286-84-1,[3-[(1-benzylcycloheptyl)oxy]propyl]dimethylammonium hydrogen fumarate,"3-[(1-benzylcycloheptyl)oxy]-N,N-dimethylpropan-1-aminium hydrogen but-2-enedioate",C[NH+](C)CCCOC1(Cc2ccccc2)CCCCCC1.[O-]C(=O)\\C=C\\C(=O)[O-],C[NH+](C)CCCOC1(Cc2ccccc2)CCCCCC1.[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C19H31NO.C4H4O4/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18;5-3(6)1-2-4(7)8/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1",C19H31NO.C4H4O4,,,,,,LSTKNZAMFRGXCG-WLHGVMLRSA-M,,,,,,,,,,,
100.034.717,238-205-4,14286-95-4,Diyttrium disilicate,diyttrium disilicate,[Y+3].[Y+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Y+3].[Y+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2O3Si.2Y/c2*1-4(2)3;;/q2*-2;2*+3,H6O7Si2.2Y,,,,,,CJVAFVNWQOLDOU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.718,238-207-5,14287-04-8,Ammonium butyrate,ammonium butyrate,[NH4+].CCCC(=O)[O-],[NH4+].CCCC(=O)[O-],"InChI=1/C4H8O2.H3N/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);1H3",C4H8O2.H3N,,,,,,YNTQKXBRXYIAHM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.652,233-731-0,10339-02-3,"1-chloro-N,N,N',N',1-pentamethylsilanediamine","1-chloro-N,N,N',N',1-pentamethylsilanediamine",CN(C)[Si](C)(Cl)N(C)C,CN(C)[Si](C)(Cl)N(C)C,"InChI=1/C5H15ClN2Si/c1-7(2)9(5,6)8(3)4/h1-5H3",C5H15ClN2Si,,,,,,BZHQCJMLAYVPCL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.653,233-732-6,10339-55-6,"3,7-dimethylnona-1,6-dien-3-ol","3,7-dimethylnona-1,6-dien-3-ol",CC(O)(CCC=C(C)CC)C=C,CC(O)(CCC=C(C)CC)C=C,"InChI=1/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3",C11H20O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13181,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.653,KRLBLPBPZSSIGH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.657,233-736-8,10340-42-8,Bis(3-methylbutyl) sebacate,bis(3-methylbutyl) sebacate,CC(C)CCOC(=O)CCCCCCCCC(=O)OCCC(C)C,CC(C)CCOC(=O)CCCCCCCCC(=O)OCCC(C)C,"InChI=1/C20H38O4/c1-17(2)13-15-23-19(21)11-9-7-5-6-8-10-12-20(22)24-16-14-18(3)4/h17-18H,5-16H2,1-4H3",C20H38O4,,,,,,AZTORLUDPYUCLK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.661,233-741-5,10342-01-5,"O-benzyl-N-[tert-butoxycarbonyl]-L-serine, compound with dicyclohexylamine (1:1)",O-benzyl-N-(tert-butoxycarbonyl)-L-serine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C15H21NO5.C12H23N/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18);11-13H,1-10H2",C15H21NO5.C12H23N,,,,,,QAAQPSNBIGNDII-YDALLXLXSA-N,,,,,,,,,,,
100.030.673,233-754-6,10345-79-6,"2-chloro-N,N-diethylbenzamide","2-chloro-N,N-diethylbenzamide",CCN(CC)C(=O)c1ccccc1Cl,CCN(CC)C(=O)c1ccccc1Cl,"InChI=1/C11H14ClNO/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4H2,1-2H3",C11H14ClNO,,,,,,MZJHBUKIOBJCAW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.674,233-755-1,10345-87-6,3-phenylcyclohex-2-en-1-one,3-phenylcyclohex-2-en-1-one,O=C1CCCC(=C1)c2ccccc2,O=C1CCCC(=C1)c2ccccc2,"InChI=1/C12H12O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2",C12H12O,,,,,,DIELDZAPFMXAHA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.678,233-759-3,10347-88-3,3-tert-butyladipic acid,3-tert-butylhexanedioic acid,CC(C)(C)C(CCC(=O)O)CC(=O)O,CC(C)(C)C(CCC(=O)O)CC(=O)O,"InChI=1/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)",C10H18O4,,,,,,LHSCNQRBIIDZCB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.683,233-765-6,10351-19-6,(4-pyridylthio)acetic acid,(pyridin-4-ylsulfanyl)acetic acid,OC(=O)CSc1ccncc1,OC(=O)CSc1ccncc1,"InChI=1/C7H7NO2S/c9-7(10)5-11-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)",C7H7NO2S,,,,,,PGUPJAPHYIEKLT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.690,233-772-4,10353-86-3,"1,1'-[(2-hydroxyethyl)imino]dipropan-2-ol","1,1'-[(2-hydroxyethyl)imino]dipropan-2-ol",CC(O)CN(CCO)CC(C)O,CC(O)CN(CCO)CC(C)O,"InChI=1/C8H19NO3/c1-7(11)5-9(3-4-10)6-8(2)12/h7-8,10-12H,3-6H2,1-2H3",C8H19NO3,,,,,,HHKUQCFQGCCLGA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.691,233-774-5,10354-00-4,"Dibenzo[b,f]cyclohepten-1-ol","5H-dibenzo[a,d][7]annulen-5-ol",OC2c3ccccc3/C=C\\c1ccccc12,OC2c3ccccc3/C=C\c1ccccc12,"InChI=1/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15-16H",C15H12O,,,,,,SRIISEYIFDTFRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.698,233-781-3,10360-31-3,"Sodium 2'-(4-aminophenyl)-6-methyl[2,6'-bibenzothiazole]-7-sulphonate","sodium 2'-(4-aminophenyl)-6-methyl-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(sc4c3)c5ccc(N)cc5,[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(sc4c3)c5ccc(N)cc5,"InChI=1/C21H15N3O3S3.Na/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12;/h2-10H,22H2,1H3,(H,25,26,27);/q;+1/p-1",C21H15N3O3S3.Na,,,,,,RSRNHSYYBLEMOI-UHFFFAOYSA-M,,,,,,,,,,,
100.037.821,241-620-3,17636-10-1,Sodium 3-mercaptopropanesulphonate,sodium 3-sulfanylpropane-1-sulfonate,[Na+].[O-]S(=O)(=O)CCCS,[Na+].[O-]S(=O)(=O)CCCS,"InChI=1/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);/q;+1/p-1",C3H8O3S2.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10923,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.821,FRTIVUOKBXDGPD-UHFFFAOYSA-M,,,,,,,,,,,
100.037.823,241-622-4,17639-76-8,Methyl 2-methoxypropionate,methyl 2-methoxypropanoate,COC(C)C(=O)OC,COC(C)C(=O)OC,"InChI=1/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3",C5H10O3,,,,,,VABBJJOSOCPYIT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.891,260-399-4,56841-45-3,Dithiodisalicylic acid,"2,2'-[disulfanediylbis(oxy)]dibenzoic acid",OC(=O)c2ccccc2OSSOc1ccccc1C(O)=O,OC(=O)c2ccccc2OSSOc1ccccc1C(O)=O,"InChI=1/C14H10O6S2/c15-13(16)9-5-1-3-7-11(9)19-21-22-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)",C14H10O6S2,,,,,,KCCZGARGXZYYFY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.895,260-403-4,56859-24-6,Trimethoxy(3-thiocyanatopropyl)silane,3-(trimethoxysilyl)propyl thiocyanate,CO[Si](CCCSC#N)(OC)OC,CO[Si](CCCSC#N)(OC)OC,"InChI=1/C7H15NO3SSi/c1-9-13(10-2,11-3)6-4-5-12-7-8/h4-6H2,1-3H3",C7H15NO3SSi,,,,,,XODFSNXVWMJCOU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.897,260-406-0,56859-91-7,Ethyl furan-3-propionate,ethyl 3-(3-furyl)propanoate,CCOC(=O)CCc1cocc1,CCOC(=O)CCc1cocc1,"InChI=1/C9H12O3/c1-2-12-9(10)4-3-8-5-6-11-7-8/h5-7H,2-4H2,1H3",C9H12O3,,,,,,MGBZGBGWTZISIG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.551,240-223-2,16078-34-5,"1-(2,3-dihydro-1H-indol-5-yl)ethan-1-one","1-(2,3-dihydro-1H-indol-5-yl)ethanone",CC(=O)c1ccc2NCCc2c1,CC(=O)c1ccc2NCCc2c1,"InChI=1/C10H11NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-3,6,11H,4-5H2,1H3",C10H11NO,,,,,,GYMZRGMAWRJZPV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.554,240-226-9,16079-18-8,6-allyl-2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenol hydrochloride,2-allyl-6-[2-hydroxy-3-(isopropylamino)propoxy]phenol hydrochloride,Cl.CC(C)NCC(O)COc1cccc(CC=C)c1O,Cl.CC(C)NCC(O)COc1cccc(CC=C)c1O,"InChI=1/C15H23NO3.ClH/c1-4-6-12-7-5-8-14(15(12)18)19-10-13(17)9-16-11(2)3;/h4-5,7-8,11,13,16-18H,1,6,9-10H2,2-3H3;1H",C15H23NO3.ClH,,,,,,QWBMTZLHKLAGJK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.559,240-232-1,16081-27-9,"trans-2-vinyl-1,3-dioxolane-4-methanol","(2-vinyl-1,3-dioxolan-4-yl)methanol",OC[C@H]1CO[C@@H](O1)C=C,OC[C@H]1CO[C@@H](O1)C=C,"InChI=1/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h2,5-7H,1,3-4H2",C6H10O3,,,,,,JMAUXGPDSZGZAJ-WDSKDSINSA-N,,,,,,,,,,,
100.036.560,240-233-7,16081-28-0,"cis-2-vinyl-1,3-dioxan-5-ol","2-vinyl-1,3-dioxan-5-ol",O[C@@H]1CO[C@@H](OC1)C=C,O[C@@H]1CO[C@@H](OC1)C=C,"InChI=1/C6H10O3/c1-2-6-8-3-5(7)4-9-6/h2,5-7H,1,3-4H2",C6H10O3,,,,,,RCORSHSFJCXHTF-OLQVQODUSA-N,,,,,,,,,,,
100.036.568,240-242-6,16089-42-2,1-(4-amino-2-methoxyphenyl)pyrrolidine,3-methoxy-4-pyrrolidin-1-ylaniline,COc1cc(N)ccc1N2CCCC2,COc1cc(N)ccc1N2CCCC2,"InChI=1/C11H16N2O/c1-14-11-8-9(12)4-5-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3",C11H16N2O,,,,,,YVEZBGKUTDESAG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.570,240-244-7,16089-48-8,Potassium cinnamate,potassium 3-phenylacrylate,[K+].[O-]C(=O)\\C=C\\c1ccccc1,[K+].[O-]C(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.K/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1",C9H8O2.K,,,,,,IWHVCHNCTHGORM-UHDJGPCESA-M,,,,,,,,,,,
100.036.571,240-245-2,16090-02-1,"Disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\\C=C\\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)[O-],"InChI=1/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2",C40H40N12O8S2.2Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14744,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.571,VUJGKADZTYCLIL-YHPRVSEPSA-L,,,,,,,,,,,
100.036.576,240-251-5,16090-77-0,Dibutyl suberate,dibutyl suberate,CCCCOC(=O)CCCCCCC(=O)OCCCC,CCCCOC(=O)CCCCCCC(=O)OCCCC,"InChI=1/C16H30O4/c1-3-5-13-19-15(17)11-9-7-8-10-12-16(18)20-14-6-4-2/h3-14H2,1-2H3",C16H30O4,,,,,,LBXQUCHUHCBNTC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.578,240-253-6,16091-18-2,Dioctyltin maleate,dioctyltin maleate,CCCCCCCC[Sn+2]CCCCCCCC.[O-]C(=O)\\C=C/C(=O)[O-],CCCCCCCC[Sn+2]CCCCCCCC.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/2C8H17.C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2/rC16H34Sn.C4H4O4/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;5-3(6)1-2-4(7)8/h3-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+2;/p-2",C20H36O4Sn,,,,,,PZGVVCOOWYSSGB-KWZUVTIDSA-L,,,,,,,,,,,
100.036.580,240-255-7,16092-48-1,"Nitric acid, zirconium salt",-,[Zr+2].[O-][N+](=O)[O-],[Zr+2].[O-][N+](=O)[O-],InChI=1/NO3.Zr/c2-1(3)4;/q-1;+2,HNO3.xZr,,,,,,DAZMGDVCVSKUTP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.587,240-263-0,16096-97-2,"[R-(R*,R*)]-1,4-dimercaptobutane-2,3-diol","1,4-disulfanylbutane-2,3-diol",OC(CS)C(O)CS,OC(CS)C(O)CS,"InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2",C4H10O2S2,,,,,,VHJLVAABSRFDPM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.589,240-265-1,16101-08-9,"9-methoxy-1,5-dimethyl-6H-pyrido[4,3-b]carbazole","9-methoxy-1,5-dimethyl-6H-pyrido[4,3-b]carbazole",COc1ccc2[nH]c3c(C)c4ccnc(C)c4cc3c2c1,COc1ccc2[nH]c3c(C)c4ccnc(C)c4cc3c2c1,"InChI=1/C18H16N2O/c1-10-13-6-7-19-11(2)14(13)9-16-15-8-12(21-3)4-5-17(15)20-18(10)16/h4-9,20H,1-3H3",C18H16N2O,,,,,,ULYVKQSCHAJLQG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.464,234-624-1,12017-67-3,"Cobalt, compound with praseodymium (5:1)",cobalt - praseodymium (5:1),[Co].[Co].[Co].[Co].[Co].[Pr],[Co].[Co].[Co].[Co].[Co].[Pr],InChI=1/5Co.Pr/q5*+2;+3,Co.Pr,,,,,,PAVWDQYSBPADEU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.465,234-625-7,12017-68-4,"Cobalt, compound with samarium (5:1)",cobalt - samarium (5:1),[Co].[Co].[Co].[Co].[Co].[Sm],[Co].[Co].[Co].[Co].[Co].[Sm],InChI=1/5Co.Sm/q6*+2,Co.Sm,,,,,,NDYCBWZIOSTTHS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.481,240-146-4,16011-96-4,"2-amino-3,4,5,6-tetrahydropyridine","3,4,5,6-tetrahydropyridin-2-amine",NC1=NCCCC1,NC1=NCCCC1,"InChI=1/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)",C5H10N2.ClH,,,,,,DHGUMNJVFYRSIG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.490,240-156-9,16021-08-2,trans-octahydronaphthalene-2(1H)-one,octahydronaphthalen-2(1H)-one,O=C1CC[C@@H]2CCCC[C@H]2C1,O=C1CC[C@@H]2CCCC[C@H]2C1,"InChI=1/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2",C10H16O,,,,,,LGVJRKCQQHOWAU-IUCAKERBSA-N,,,,,,,,,,,
100.036.491,240-157-4,16022-70-1,"1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] di(salicylate)","1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) bis(2-hydroxybenzoate)",Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34.Oc5ccccc5C(=O)[O-].Oc6ccccc6C(=O)[O-],Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34.Oc5ccccc5C(=O)[O-].Oc6ccccc6C(=O)[O-],"InChI=1/C30H38N4.2C7H6O3/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*8-6-4-2-1-3-5(6)7(9)10/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1-4,8H,(H,9,10)",C30H40N4.2C7H5O3,,,,,,KJKANYXQJTTYMC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.494,240-161-6,16024-56-9,(2-methoxyethoxy)acetic acid,(2-methoxyethoxy)acetic acid,COCCOCC(=O)O,COCCOCC(=O)O,"InChI=1/C5H10O4/c1-8-2-3-9-4-5(6)7/h2-4H2,1H3,(H,6,7)",C5H10O4,,,,,,CLLLODNOQBVIMS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.754,241-546-1,17575-22-3,Lanatoside C,"3-{[beta-D-glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5,"InChI=1/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3",C49H76O20,,,,,,JAYAGJDXJIDEKI-PTGWOZRBSA-N,,,,,,,,,,,
100.037.757,241-549-8,17578-54-0,Dibenzylbis(lauroyloxy)stannane,dibenzyl[bis(dodecanoyloxy)]stannane,CCCCCCCCCCCC(=O)O[Sn](Cc1ccccc1)(Cc2ccccc2)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[Sn](Cc1ccccc1)(Cc2ccccc2)OC(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.2C7H7.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-7-5-3-2-4-6-7;/h2*2-11H2,1H3,(H,13,14);2*2-6H,1H2;/q;;;;+2/p-2/rC38H60O4Sn/c1-3-5-7-9-11-13-15-17-25-31-37(39)41-43(33-35-27-21-19-22-28-35,34-36-29-23-20-24-30-36)42-38(40)32-26-18-16-14-12-10-8-6-4-2/h19-24,27-30H,3-18,25-26,31-34H2,1-2H3",C38H60O4Sn,,,,,,LVIAVDPYLHRLNQ-UHFFFAOYSA-L,,,,,,,,,,,
100.037.762,241-555-0,17586-94-6,Dioctyltin di(acetate),dioctyltin di(acetate),CCCCCCCC[Sn+2]CCCCCCCC.CC(=O)[O-].CC(=O)[O-],CCCCCCCC[Sn+2]CCCCCCCC.CC(=O)[O-].CC(=O)[O-],"InChI=1/2C8H17.2C2H4O2.Sn/c2*1-3-5-7-8-6-4-2;2*1-2(3)4;/h2*1,3-8H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2/rC16H34Sn.2C2H4O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2*1-2(3)4/h3-16H2,1-2H3;2*1H3,(H,3,4)/q+2;;/p-2",C20H40O4Sn,,,,,,CQQXCSFSYHAZOO-UHFFFAOYSA-L,,,,,,,,,,,
100.037.766,241-559-2,17589-24-1,"2,4-dioxo-1,3-diazetidine-1,3-diylbis[p-phenylenemethylene-p-phenylene] diisocyanate","1,3-bis[4-(4-isocyanatobenzyl)phenyl]-1,3-diazetidine-2,4-dione",O=C=Nc1ccc(Cc2ccc(cc2)N3C(=O)N(C3=O)c4ccc(Cc5ccc(cc5)N=C=O)cc4)cc1,O=C=Nc1ccc(Cc2ccc(cc2)N3C(=O)N(C3=O)c4ccc(Cc5ccc(cc5)N=C=O)cc4)cc1,"InChI=1/C30H20N4O4/c35-19-31-25-9-1-21(2-10-25)17-23-5-13-27(14-6-23)33-29(37)34(30(33)38)28-15-7-24(8-16-28)18-22-3-11-26(12-4-22)32-20-36/h1-16H,17-18H2",C30H20N4O4,,,,,,ARRNPOPZVLSDGB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.767,241-560-8,17590-01-1,Amfetaminil,[(1-methyl-2-phenylethyl)amino](phenyl)acetonitrile,CC(Cc1ccccc1)NC(C#N)c2ccccc2,CC(Cc1ccccc1)NC(C#N)c2ccccc2,"InChI=1/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3",C17H18N2,,,,,,NFHVTCJKAHYEQN-UHFFFAOYSA-N,,,,,,,,,,,
100.035.011,238-529-6,14519-07-4,Zinc bromate,zinc dibromate,[Zn+2].[O-]Br(=O)=O.[O-]Br(=O)=O,[Zn+2].[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/2BrHO3.Zn/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",BrHO3.1/2Zn,,,,,,TUDPEWOTGHYZBQ-UHFFFAOYSA-L,,,,,,,,,,,
100.061.776,267-973-3,67969-66-8,"4-[(2-ethoxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CCOc3ccccc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,CCOc3ccccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C18H18N4O2/c1-3-24-16-12-8-7-11-15(16)19-20-17-13(2)21-22(18(17)23)14-9-5-4-6-10-14/h4-12,17H,3H2,1-2H3",C18H18N4O2,,,,,,LOLWANDOFSMIGV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.815,261-416-8,58743-77-4,"4'-methoxy[1,1'-biphenyl]-4-carbonitrile",4'-methoxybiphenyl-4-carbonitrile,COc1ccc(cc1)c2ccc(cc2)C#N,COc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3",C14H11NO,,,,,,RINYLKSNGRLNCU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.824,261-426-2,58763-68-1,(E)-dodec-7-en-9-ynol,dodec-7-en-9-yn-1-ol,CCC#C\\C=C\\CCCCCCO,CCC#C\C=C\CCCCCCO,"InChI=1/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2,7-12H2,1H3",C12H20O,,,,,,HICLTGHACDQHFL-AATRIKPKSA-N,,,,,,,,,,,
100.055.828,261-430-4,58767-50-3,Bis(2-hydroxyethyl)methyloctylammonium toluene-p-sulphonate,"N,N-bis(2-hydroxyethyl)-N-methyloctan-1-aminium 4-methylbenzenesulfonate",CCCCCCCC[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCC[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C13H30NO2.C7H8O3S/c1-3-4-5-6-7-8-9-14(2,10-12-15)11-13-16;1-6-2-4-7(5-3-6)11(8,9)10/h15-16H,3-13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C13H30NO2.C7H7O3S,,,,,,YLHNNWUZOGHCSP-UHFFFAOYSA-M,,,,,,,,,,,
100.055.830,261-433-0,58769-20-3,"[5-benzyl-3-furyl]methyl [1R-[1a,3a(E)]]-3-[(dihydro-2-oxo-3(2H)-thienylidene)methyl]-2,2-dimethylcyclopropanecarboxylate","(5-benzyl-3-furyl)methyl 2,2-dimethyl-3-[(2-oxodihydrothiophen-3(2H)-ylidene)methyl]cyclopropanecarboxylate",CC1(C)C(C=C2CCSC2=O)C1C(=O)OCc3coc(Cc4ccccc4)c3,CC1(C)C(C=C2CCSC2=O)C1C(=O)OCc3coc(Cc4ccccc4)c3,"InChI=1/C23H24O4S/c1-23(2)19(12-17-8-9-28-22(17)25)20(23)21(24)27-14-16-11-18(26-13-16)10-15-6-4-3-5-7-15/h3-7,11-13,19-20H,8-10,14H2,1-2H3",C23H24O4S,,,,,,UGWALRUNBSBTGI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.835,261-438-8,58779-19-4,"5-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]-2,4-dimethoxybenzenesulphonic acid","2,4-dimethoxy-5-{[3-methyl-5-oxo-1-(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonic acid",OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cc(c(OC)cc2OC)S(O)(=O)=O)C3=O,OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cc(c(OC)cc2OC)S(O)(=O)=O)C3=O,"InChI=1/C20H22N4O12S3/c1-12-19(22-21-15-10-18(38(28,29)30)17(35-3)11-16(15)34-2)20(25)24(23-12)13-4-6-14(7-5-13)37(26,27)9-8-36-39(31,32)33/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)",C20H22N4O12S3,,,,,,FFCPQIVLISKGAB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.836,261-439-3,58779-43-4,N-butyl-N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide monohydrochloride,N-butyl-N-[2-(diethylamino)ethyl]-1-naphthamide hydrochloride,Cl.CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12,Cl.CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12,"InChI=1/C21H30N2O.ClH/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20;/h8-14H,4-7,15-17H2,1-3H3;1H",C21H30N2O.ClH,,,,,,KUTAVPAGPDWFKS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.840,261-444-0,58789-70-1,"N,N'-bis[1-isopropyl-2-methylpropyl]ethylenediamine","N,N'-bis(1-isopropyl-2-methylpropyl)ethane-1,2-diamine",CC(C)C(NCCNC(C(C)C)C(C)C)C(C)C,CC(C)C(NCCNC(C(C)C)C(C)C)C(C)C,"InChI=1/C16H36N2/c1-11(2)15(12(3)4)17-9-10-18-16(13(5)6)14(7)8/h11-18H,9-10H2,1-8H3",C16H36N2,,,,,,AJVWVTSSZWIPPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.846,261-450-3,58809-73-7,2-(methylthio)propionic acid,2-(methylsulfanyl)propanoic acid,CSC(C)C(=O)O,CSC(C)C(=O)O,"InChI=1/C4H8O2S/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)",C4H8O2S,,,,,,SBJPKUSFMZKDRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.849,261-454-5,58812-98-9,"3-(5-chloro-2-methylphenyl)-1-triazene-1-carbonitrile, sodium salt",-,[Na+].Cc1ccc(Cl)cc1NN=NC#N,[Na+].Cc1ccc(Cl)cc1NN=NC#N,"InChI=1/C8H7ClN4.Na/c1-6-2-3-7(9)4-8(6)12-13-11-5-10;/h2-4H,1H3,(H,11,12);/q;+1",C8H7ClN4.Na,,,,,,QRQJXMOCCAOHMR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.316,260-867-8,57634-67-0,"4-(4H-1,2,4-triazol-4-yl)morpholine","4-(4H-1,2,4-triazol-4-yl)morpholine",C1CN(CCO1)n2cnnc2,C1CN(CCO1)n2cnnc2,"InChI=1/C6H10N4O/c1-3-11-4-2-9(1)10-5-7-8-6-10/h5-6H,1-4H2",C6H10N4O,,,,,,IHQOUXBCYBOOKX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.319,260-870-4,57640-10-5,4-(triethoxysilyl)butane-2-thiol,4-(triethoxysilyl)butane-2-thiol,CCO[Si](CCC(C)S)(OCC)OCC,CCO[Si](CCC(C)S)(OCC)OCC,"InChI=1/C10H24O3SSi/c1-5-11-15(12-6-2,13-7-3)9-8-10(4)14/h10,14H,5-9H2,1-4H3",C10H24O3SSi,,,,,,XUGBJJNOIWRRPH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.322,260-874-6,57645-91-7,"Malic acid, compound with 4-amino-N-[1-(benzyl)piperidin-4-yl]-5-chloro-2-methoxybenzamide (1:1)",2-hydroxysuccinic acid - 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide (1:1),COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2.OC(CC(=O)O)C(=O)O,COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2.OC(CC(=O)O)C(=O)O,"InChI=1/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)",C20H24ClN3O2.C4H6O5,,,,,,NYNKCGWJPNZJMI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.831,241-631-3,17648-03-2,"2,3-dihydro-9,10-dihydroxyanthracene-1,4-dione","9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione",Oc1c2C(=O)CCC(=O)c2c(O)c3ccccc13,Oc1c2C(=O)CCC(=O)c2c(O)c3ccccc13,"InChI=1/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,17-18H,5-6H2",C14H10O4,,,,,,FVXPBEUYCCZFJT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.834,241-635-5,17654-68-1,"4-chloro-1,2-dicyanobenzene",4-chlorophthalonitrile,Clc1ccc(C#N)c(c1)C#N,Clc1ccc(C#N)c(c1)C#N,InChI=1/C8H3ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,C8H3ClN2,,,,,,SZSLISKYJBQHQC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.836,241-637-6,17658-63-8,2-hexadecylicosanol,2-hexadecylicosan-1-ol,CCCCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCCCC,"InChI=1/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3",C36H74O,,,,,,JQJGGMZIMBGQQY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.839,241-640-2,17661-50-6,Tetradecyl stearate,tetradecyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/C32H64O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",C32H64O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12662,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.839,MHXBHWLGRWOABW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.840,241-641-8,17661-52-8,"3,3'-dithiobispropanesulphonic acid","3,3'-disulfanediyldipropane-1-sulfonic acid",OS(=O)(=O)CCCSSCCCS(=O)(=O)O,OS(=O)(=O)CCCSSCCCS(=O)(=O)O,"InChI=1/C6H14O6S4/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12/h1-6H2,(H,7,8,9)(H,10,11,12)",C6H14O6S4,,,,,,LMPMFQXUJXPWSL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.852,241-654-9,17673-56-2,(Z)-octadec-9-enyl (Z)-docos-13-enoate,octadec-9-en-1-yl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C40H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-39H2,1-2H3",C40H76O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16084,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.852,SZAMSYKZCSDVBH-CLFAGFIQSA-N,,,,,,,,,,,
100.037.853,241-655-4,17673-59-5,"Oleyl (9Z,12Z)-octadeca-9,12-dienoate","octadec-9-en-1-yl octadeca-9,12-dienoate",CCCCCCCC\\C=C/CCCCCCCCOC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C36H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20H,3-11,13,15-16,21-35H2,1-2H3",C36H66O2,,,,,,HCWKYEAMGMQHRV-RQOIEFAZSA-N,,,,,,,,,,,
100.037.854,241-657-5,17673-60-8,"Octadecyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate","octadecyl octadeca-9,12,15-trienoate",CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C\\C=C/C\\C=C/CC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1/C36H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20H,3-5,7,9-11,13,15-17,19,21-35H2,1-2H3",C36H66O2,,,,,,QQRQYDIHHZSQOG-HLMRNWPHSA-N,,,,,,,,,,,
100.037.859,241-662-2,17678-60-3,"N,N-dimethylpentadecylamine","N,N-dimethylpentadecan-1-amine",CCCCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCCN(C)C,"InChI=1/C17H37N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h4-17H2,1-3H3",C17H37N,,,,,,SNHHYQWNNZIBLN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.863,241-666-4,17685-05-1,Phenyl ß-D-glucopyranosiduronic acid,phenyl beta-D-glucopyranosiduronic acid,O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)O[C@@H]([C@H]1O)C(=O)O,O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)O[C@@H]([C@H]1O)C(=O)O,"InChI=1/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)",C12H14O7,,,,,,WVHAUDNUGBNUDZ-GOVZDWNOSA-N,,,,,,,,,,,
100.037.868,241-672-7,17687-37-5,Uronium nitrate,amino(hydroxy)methaniminium nitrate,NC(=[NH2+])O.[O-][N+](=O)[O-],NC(=[NH2+])O.[O-][N+](=O)[O-],"InChI=1/CH4N2O.NO3/c2*2-1(3)4/h(H4,2,3,4);/q;-1/p+1",CH4N2O.xHNO3,,,,,,ZJSAHDQVNRJQGU-UHFFFAOYSA-O,,,,,,,,,,,
100.035.111,238-638-9,14593-43-2,a-(allyloxy)toluene,[(allyloxy)methyl]benzene,C=CCOCc1ccccc1,C=CCOCc1ccccc1,"InChI=1/C10H12O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2",C10H12O,,,,,,HUGHWHMUUQNACD-UHFFFAOYSA-N,,,,,,,,,,,
100.035.114,238-642-0,14596-82-8,Bis(3-thienylcarbonyl) peroxide,di-3-thienylperoxyanhydride,O=C(OOC(=O)c1ccsc1)c2ccsc2,O=C(OOC(=O)c1ccsc1)c2ccsc2,InChI=1/C10H6O4S2/c11-9(7-1-3-15-5-7)13-14-10(12)8-2-4-16-6-8/h1-6H,C10H6O4S2,,,,,,NIPXPORFFVCBNP-UHFFFAOYSA-N,,,,,,,,,,,
100.035.119,238-647-8,14611-34-8,"N5-[imino[[(phenylmethoxy)carbonyl]amino]methyl]-N2,N5-bis[(phenylmethoxy)carbonyl]-L-ornithine","N~2~,N~5~-bis[(benzyloxy)carbonyl]-N~5~-{[(benzyloxy)carbonyl]carbamimidoyl}ornithine",OC(=O)[C@H](CCCN(C(=N)NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3,OC(=O)[C@H](CCCN(C(=N)NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3,"InChI=1/C30H32N4O8/c31-27(33-29(38)41-20-23-13-6-2-7-14-23)34(30(39)42-21-24-15-8-3-9-16-24)18-10-17-25(26(35)36)32-28(37)40-19-22-11-4-1-5-12-22/h1-9,11-16,25H,10,17-21H2,(H,32,37)(H,35,36)(H2,31,33,38)",C30H32N4O8,,,,,,YSGAXJCIEJGVFV-VWLOTQADSA-N,,,,,,,,,,,
100.035.120,238-648-3,14611-70-2,"3,5-dichloro-4-hydroxyphenyl thiocyanate","3,5-dichloro-4-hydroxyphenyl thiocyanate",Oc1c(Cl)cc(SC#N)cc1Cl,Oc1c(Cl)cc(SC#N)cc1Cl,"InChI=1/C7H3Cl2NOS/c8-5-1-4(12-3-10)2-6(9)7(5)11/h1-2,11H",C7H3Cl2NOS,,,,,,WOXNPCZHWXVOKK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.590,240-266-7,16101-11-4,"(+)-2,3,4,6-tetrahydro-9-methoxy-1,2,5-trimethyl-1H-pyrido[4,3-b]carbazole","9-methoxy-1,2,5-trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole",COc1ccc2[nH]c3c(C)c4CCN(C)C(C)c4cc3c2c1,COc1ccc2[nH]c3c(C)c4CCN(C)C(C)c4cc3c2c1,"InChI=1/C19H22N2O/c1-11-14-7-8-21(3)12(2)15(14)10-17-16-9-13(22-4)5-6-18(16)20-19(11)17/h5-6,9-10,12,20H,7-8H2,1-4H3",C19H22N2O,,,,,,REYSQEYAZQBOCP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.591,240-267-2,16102-99-1,"Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]anthracene-2-sulphonate","disodium 1-amino-9,10-dioxo-4-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-4-2-1-3-14(15)21(18)25)24-12-5-7-13(8-6-12)36(27,28)10-9-35-38(32,33)34;;/h1-8,11,24H,9-10,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H18N2O11S3.2Na,,,,,,JALBGZPFNQMHSM-UHFFFAOYSA-L,,,,,,,,,,,
100.030.570,233-641-1,10289-94-8,"41-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontyl stearate","41-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracont-1-yl stearate",CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C46H92O16/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-46(48)62-45-44-61-43-42-60-41-40-59-39-38-58-37-36-57-35-34-56-33-32-55-31-30-54-29-28-53-27-26-52-25-24-51-23-22-50-21-20-49-19-18-47/h47H,2-45H2,1H3",C46H92O16,,,,,,PDASDZQPCWGLAC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.573,233-644-8,10290-12-7,Copper arsonate,copper(2+) arsonate,[Cu+2].[O-][As]([O-])=O,[Cu+2].[O-][As]([O-])=O,InChI=1/AsO3.Cu/c2-1(3)4;/q-2;+2,AsH3O3.Cu,,,,,,YIMXPFCQFOQJLH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.578,233-650-0,10291-27-7,"2,5-bis(2-chloroanilino)terephthalic acid","2,5-bis[(2-chlorophenyl)amino]terephthalic acid",OC(=O)c1cc(Nc2ccccc2Cl)c(cc1Nc3ccccc3Cl)C(=O)O,OC(=O)c1cc(Nc2ccccc2Cl)c(cc1Nc3ccccc3Cl)C(=O)O,"InChI=1/C20H14Cl2N2O4/c21-13-5-1-3-7-15(13)23-17-9-12(20(27)28)18(10-11(17)19(25)26)24-16-8-4-2-6-14(16)22/h1-10,23-24H,(H,25,26)(H,27,28)",C20H14Cl2N2O4,,,,,,LASWYZAZWDFPSC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.585,233-657-9,10294-33-4,Boron tribromide,boron tribromide,[Br-].[Br-].[Br-].[BH6+3],[Br-].[Br-].[Br-].[BH6+3],InChI=1/BH3.3BrH/h1H3;3*1H/q+3;;;/p-3,BBr3,,,,,,IDSYEGUIDYAYIH-UHFFFAOYSA-K,,,,,,,,,,,
100.030.589,233-662-6,10294-54-9,Caesium sulphate,dicaesium sulfate,[Cs+].[Cs+].[O-]S(=O)(=O)[O-],[Cs+].[Cs+].[O-]S(=O)(=O)[O-],"InChI=1/2Cs.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",Cs.1/2H2O4S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11198,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.589,FLJPGEWQYJVDPF-UHFFFAOYSA-L,,,,,,,,,,,
100.030.590,233-663-1,10294-56-1,Phosphorous acid,phosphorous acid,OP(O)O,OP(O)O,InChI=1/H3O3P/c1-4(2)3/h1-3H,H3O3P,,,,,,OJMIONKXNSYLSR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.594,233-667-3,10294-70-9,Tin diiodide,-,[Sn+4].[I-].[I-],[Sn+4].[I-].[I-],InChI=1/2HI.Sn/h2*1H;/q;;+4/p-2,I2Sn,,,,,,QNOIMAZMCCMBNC-UHFFFAOYSA-L,,,,,,,,,,,
100.030.595,233-668-9,10296-76-1,"2,3-dihydroxypropanesulphonic acid","2,3-dihydroxypropane-1-sulfonic acid",OCC(O)CS(=O)(=O)O,OCC(O)CS(=O)(=O)O,"InChI=1/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)",C3H8O5S,,,,,,YPFUJZAAZJXMIP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.597,233-671-5,10297-57-1,2-methylnonan-2-ol,2-methylnonan-2-ol,CCCCCCCC(C)(C)O,CCCCCCCC(C)(C)O,"InChI=1/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3",C10H22O,,,,,,VREDNSVJXRJXRI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.599,233-673-6,10298-11-0,1-(2-chloroethyl)-3-methylpiperidine,1-(2-chloroethyl)-3-methylpiperidine,CC1CCCN(CCCl)C1,CC1CCCN(CCCl)C1,"InChI=1/C8H16ClN/c1-8-3-2-5-10(7-8)6-4-9/h8H,2-7H2,1H3",C8H16ClN,,,,,,ZMTCYZCFHILUTI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.603,233-677-8,10303-64-7,DL-2-hydroxy-4-methylvaleric acid,2-hydroxy-4-methylpentanoic acid,CC(C)CC(O)C(=O)O,CC(C)CC(O)C(=O)O,"InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",C6H12O3,,,,,,LVRFTAZAXQPQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.609,233-684-6,10309-65-6,"[1S-(1a,3ß,4a,6a)]-3-hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-4-yl acetate","4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl acetate",CC(=O)OC1CC2C(CC1(C)O)C2(C)C,CC(=O)OC1CC2C(CC1(C)O)C2(C)C,"InChI=1/C12H20O3/c1-7(13)15-10-5-8-9(11(8,2)3)6-12(10,4)14/h8-10,14H,5-6H2,1-4H3",C12H20O3,,,,,,ULLVLQDHBOHWGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.617,233-693-5,10312-83-1,Methoxyacetaldehyde,methoxyacetaldehyde,COCC=O,COCC=O,"InChI=1/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3",C3H6O2,,,,,,YSEFYOVWKJXNCH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.187,236-521-7,13419-15-3,(octadecanoato-O)oxoaluminium,(octadecanoato-kappaO)(oxo)aluminum,CCCCCCCCCCCCCCCCCC(=O)O[Al]=O,CCCCCCCCCCCCCCCCCC(=O)O[Al]=O,"InChI=1/C18H36O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);;/q;+1;/p-1/rC18H35AlO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)22-19-21/h2-17H2,1H3",C18H35AlO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5666,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.187,PKPWVTWTIKKOMC-UHFFFAOYSA-M,,,,,,,,,,,
100.035.025,238-544-8,14527-26-5,2-methylisothiouronium hydrogen sulphate,amino(methylsulfanyl)methaniminium hydrogen sulfate,CSC(=[NH2+])N.[O-]S(=O)(=O)[O-],CSC(=[NH2+])N.[O-]S(=O)(=O)[O-],"InChI=1/C2H6N2S.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)/p-1",C2H6N2S.H2O4S,,,,,,NNBBQNFHCVVQHZ-UHFFFAOYSA-M,,,,,,,,,,,
100.035.026,238-545-3,14527-41-4,Thiazole-5-carboxylic acid,"1,3-thiazole-5-carboxylic acid",OC(=O)c1cncs1,OC(=O)c1cncs1,"InChI=1/C4H3NO2S/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)",C4H3NO2S,,,,,,YZVFSQQHQPPKNX-UHFFFAOYSA-N,,,,,,,,,,,
100.035.028,238-547-4,14528-51-9,(8a)-6'-methoxycinchonan,6'-methoxycinchonan,COc1ccc2nccc(C[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,COc1ccc2nccc(C[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O/c1-3-14-13-22-9-7-15(14)10-17(22)11-16-6-8-21-20-5-4-18(23-2)12-19(16)20/h3-6,8,12,14-15,17H,1,7,9-11,13H2,2H3",C20H24N2O,,,,,,VZRLVENHGDTDDU-ZOBUZTSGSA-N,,,,,,,,,,,
100.035.029,238-549-5,14528-53-1,6'-methoxycinchonan-9-one,6'-methoxycinchonan-9-one,COc1ccc2nccc(C(=O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,COc1ccc2nccc(C(=O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3",C20H22N2O2,,,,,,SRFCUPVBYYAMIL-CKFHNAJUSA-N,,,,,,,,,,,
100.035.031,238-551-6,14529-12-5,"6-chloro-1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione","6-chloro-1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione",CN1C(=O)OC(=O)c2cc(Cl)ccc12,CN1C(=O)OC(=O)c2cc(Cl)ccc12,"InChI=1/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3",C9H6ClNO3,,,,,,FKTQNWWDMJDNHA-UHFFFAOYSA-N,,,,,,,,,,,
100.035.032,238-552-1,14529-33-0,"1,1,1-trifluoro-3-(2-thienyl)acetone","1,1,1-trifluoro-3-(2-thienyl)acetone",FC(F)(F)C(=O)Cc1cccs1,FC(F)(F)C(=O)Cc1cccs1,"InChI=1/C7H5F3OS/c8-7(9,10)6(11)4-5-2-1-3-12-5/h1-3H,4H2",C7H5F3OS,,,,,,NBKNXYCQJHKJEU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.039,238-560-5,14532-32-2,4-[(5-hydroxy-3-methylisoxazol-4-yl)methylene]-3-methyl-(4H)isoxazol-5-one,4-[(5-hydroxy-3-methylisoxazol-4-yl)methylene]-3-methylisoxazol-5(4H)-one,C\\C2=N\\OC(=O)C2=Cc1c(C)noc1O,C\C2=N\OC(=O)C2=Cc1c(C)noc1O,"InChI=1/C9H8N2O4/c1-4-6(8(12)14-10-4)3-7-5(2)11-15-9(7)13/h3,12H,1-2H3",C9H8N2O4,,,,,,DGDKOCPQXPWWMH-UHFFFAOYSA-N,,,,,,,,,,,
100.035.047,238-568-9,14535-98-9,Cerium trilaurate,cerium(3+) tridodecanoate,[Ce+3].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],[Ce+3].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-],"InChI=1/3C12H24O2.Ce/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);/q;;;+3/p-3",C12H24O2.1/3Ce,,,,,,WWLPQKCJNXAEFE-UHFFFAOYSA-K,,,,,,,,,,,
100.035.049,238-571-5,14536-19-7,"Oxalic acid, zirconium salt",zirconium(2+) oxalate,[Zr+2].[O-]C(=O)C(=O)[O-],[Zr+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Zr/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.xZr,,,,,,YNPNDWRCRKEQOF-UHFFFAOYSA-L,,,,,,,,,,,
100.035.054,238-576-2,14542-71-3,"3,5-dibromo-4-methylanisole","1,3-dibromo-5-methoxy-2-methylbenzene",COc1cc(Br)c(C)c(Br)c1,COc1cc(Br)c(C)c(Br)c1,"InChI=1/C8H8Br2O/c1-5-7(9)3-6(11-2)4-8(5)10/h3-4H,1-2H3",C8H8Br2O,,,,,,BZRKRRXRNGVEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.058,238-580-4,14545-23-4,[2H7]aniline,aniline,Nc1ccccc1,Nc1ccccc1,"InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",C6D7N,,,,,,PAYRUJLWNCNPSJ-UHFFFAOYSA-N,Positive,SM806006,[M+H]+,HCD35,94.0651:53.0388:105.0447,CASMI_2016,,,,,
100.035.060,238-583-0,14546-44-2,Azidohydrazine,"pentaaza-1,2-dien-2-ium-1-ide",NNN=[N+]=[N-],NNN=[N+]=[N-],"InChI=1/H3N5/c1-3-5-4-2/h3H,1H2",H3N5,,,,,,DHIGSAXSUWQAEI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.641,238-122-3,14246-53-8,N-(1-oxooctyl)glycine,N-octanoylglycine,CCCCCCCC(=O)NCC(=O)O,CCCCCCCC(=O)NCC(=O)O,"InChI=1/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)",C10H19NO3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11322,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.641,SAVLIIGUQOSOEP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.642,238-123-9,14250-74-9,"Methyl 2,2-dimethyloctanoate","methyl 2,2-dimethyloctanoate",CCCCCCC(C)(C)C(=O)OC,CCCCCCC(C)(C)C(=O)OC,"InChI=1/C11H22O2/c1-5-6-7-8-9-11(2,3)10(12)13-4/h5-9H2,1-4H3",C11H22O2,,,,,,BAKOMPNQDRRCQN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.644,238-126-5,14250-95-4,3-(dimethoxymethyl)heptane,3-(dimethoxymethyl)heptane,CCCCC(CC)C(OC)OC,CCCCC(CC)C(OC)OC,"InChI=1/C10H22O2/c1-5-7-8-9(6-2)10(11-3)12-4/h9-10H,5-8H2,1-4H3",C10H22O2,,,,,,PNCLVYKEOAAKCK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.646,238-128-6,14254-05-8,Tin tetrabutanolate,tin(4+) tetrabutan-1-olate,[Sn+4].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],[Sn+4].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/4C4H9O.Sn/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4",C4H10O.1/4Sn,,,,,,PYKSLEHEVAWOTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.652,238-134-9,14255-88-0,Fenazaflor,"phenyl 5,6-dichloro-2-(trifluoromethyl)-1H-benzimidazole-1-carboxylate",FC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1C(=O)Oc3ccccc3,FC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1C(=O)Oc3ccccc3,"InChI=1/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H",C15H7Cl2F3N2O2,,,,,,ISVQSVPUDBVFFU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.323,260-875-1,57646-30-7,"Methyl N-(2,6-dimethylphenyl)-N-(2-furylcarbonyl)-DL-alaninate","methyl N-(2,6-dimethylphenyl)-N-2-furoyl-L-alaninate",COC(=O)[C@H](C)N(C(=O)c1occc1)c2c(C)cccc2C,COC(=O)[C@H](C)N(C(=O)c1occc1)c2c(C)cccc2C,"InChI=1/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3",C17H19NO4,,,,,,CIEXPHRYOLIQQD-ZDUSSCGKSA-N,,,,,,,,,,,
100.055.326,260-878-8,57647-92-4,Ethyl cyclopent-1-ene-1-acetate,ethyl cyclopent-1-en-1-ylacetate,CCOC(=O)CC1=CCCC1,CCOC(=O)CC1=CCCC1,"InChI=1/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h5H,2-4,6-7H2,1H3",C9H14O2,,,,,,BQAQPTBVFWRVPE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.329,260-881-4,57649-10-2,3-amino-3-deoxy-D-glucose hydrochloride,3-amino-3-deoxy-D-glucose hydrochloride,Cl.N[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO,Cl.N[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO,"InChI=1/C6H13NO5.ClH/c7-5(3(10)1-8)6(12)4(11)2-9;/h1,3-6,9-12H,2,7H2;1H",C6H13NO5.ClH,,,,,,ADFOMBKCPIMCOO-BTVCFUMJSA-N,,,,,,,,,,,
100.055.331,260-884-0,57658-36-3,"2,5-dihydro-5-thioxo-1H-tetrazol-1-acetic acid","(5-thioxo-2,5-dihydro-1H-tetrazol-1-yl)acetic acid",OC(=O)CN1NN=NC1=S,OC(=O)CN1NN=NC1=S,"InChI=1/C3H4N4O2S/c8-2(9)1-7-3(10)4-5-6-7/h1H2,(H,8,9)(H,4,6,10)",C3H4N4O2S,,,,,,UOTQEHLQKASWQO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.332,260-885-6,57661-23-1,Hexadecan-6-one,hexadecan-6-one,CCCCCCCCCCC(=O)CCCCC,CCCCCCCCCCC(=O)CCCCC,"InChI=1/C16H32O/c1-3-5-7-8-9-10-11-13-15-16(17)14-12-6-4-2/h3-15H2,1-2H3",C16H32O,,,,,,CIAHHJXQZXLMPN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.338,260-891-9,57673-91-3,Diethyl phenethylphosphoramidate,diethyl (2-phenylethyl)amidophosphate,CCOP(=O)(NCCc1ccccc1)OCC,CCOP(=O)(NCCc1ccccc1)OCC,"InChI=1/C12H20NO3P/c1-3-15-17(14,16-4-2)13-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,13,14)",C12H20NO3P,,,,,,IPWJEGXXRLKMND-UHFFFAOYSA-N,,,,,,,,,,,
100.055.348,260-902-7,57681-53-5,5-propylfuran-2(5H)-one,5-propylfuran-2(5H)-one,CCCC1OC(=O)C=C1,CCCC1OC(=O)C=C1,"InChI=1/C7H10O2/c1-2-3-6-4-5-7(8)9-6/h4-6H,2-3H2,1H3",C7H10O2,,,,,,CLCLZCBNFSGUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.211,262-952-5,61745-60-6,Zinc(2+) N6-(1-oxotetradecyl)-L-lysinate,zinc bis[2-amino-6-(tetradecanoylamino)hexanoate],[Zn+2].CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],[Zn+2].CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-],"InChI=1/2C20H40N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25;/h2*18H,2-17,21H2,1H3,(H,22,23)(H,24,25);/q;;+2/p-2",C20H40N2O3.1/2Zn,,,,,,JLELLFNGLANKGM-IJBYHFJWSA-L,,,,,,,,,,,
100.057.213,262-954-6,61746-04-1,Tetrakis(acetoxydibutylstannyloxy)silane,"6,6-bis{[acetoxy(dibutyl)stannyl]oxy}-4,4,8,8-tetrabutyl-2,10-dioxo-3,5,7,9-tetraoxa-6-sila-4,8-distannaundecane",CCCC[Sn](CCCC)(OC(=O)C)O[Si](O[Sn](CCCC)(CCCC)OC(=O)C)(O[Sn](CCCC)(CCCC)OC(=O)C)O[Sn](CCCC)(CCCC)OC(=O)C,CCCC[Sn](CCCC)(OC(=O)C)O[Si](O[Sn](CCCC)(CCCC)OC(=O)C)(O[Sn](CCCC)(CCCC)OC(=O)C)O[Sn](CCCC)(CCCC)OC(=O)C,"InChI=1/8C4H9.4C2H4O2.O4Si.4Sn/c8*1-3-4-2;4*1-2(3)4;1-5(2,3)4;;;;/h8*1,3-4H2,2H3;4*1H3,(H,3,4);;;;;/q;;;;;;;;;;;;-4;4*+2/p-4/rC40H84O12SiSn4/c1-13-21-29-54(30-22-14-2,45-37(9)41)49-53(50-55(31-23-15-3,32-24-16-4)46-38(10)42,51-56(33-25-17-5,34-26-18-6)47-39(11)43)52-57(35-27-19-7,36-28-20-8)48-40(12)44/h13-36H2,1-12H3",C40H84O12SiSn4,,,,,,PPDNJQIZRKFFNJ-UHFFFAOYSA-J,,,,,,,,,,,
100.057.215,262-956-7,61748-86-5,"3,3,4-trimethylpyrrolidine-2,5-dione","3,3,4-trimethylpyrrolidine-2,5-dione",CC1C(=O)NC(=O)C1(C)C,CC1C(=O)NC(=O)C1(C)C,"InChI=1/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10)",C7H11NO2,,,,,,SUPYQTKKYLUOBW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.221,262-963-5,61761-65-7,"1,2,3,4-tetrahydro-1-methyl-4-octylnaphthalene","1-methyl-4-octyl-1,2,3,4-tetrahydronaphthalene",CCCCCCCCC1CCC(C)c2ccccc12,CCCCCCCCC1CCC(C)c2ccccc12,"InChI=1/C19H30/c1-3-4-5-6-7-8-11-17-15-14-16(2)18-12-9-10-13-19(17)18/h9-10,12-13,16-17H,3-8,11,14-15H2,1-2H3",C19H30,,,,,,FKIZLIIRNPNBRY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.223,262-965-6,61785-35-1,"2',5-dichloro-2-hydroxybenzophenone",(5-chloro-2-hydroxyphenyl)(2-chlorophenyl)methanone,Oc1ccc(Cl)cc1C(=O)c2ccccc2Cl,Oc1ccc(Cl)cc1C(=O)c2ccccc2Cl,"InChI=1/C13H8Cl2O2/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,16H",C13H8Cl2O2,,,,,,OSXVZDOVYCTYCW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.224,262-966-1,61786-04-7,"Estra-1,3,5(10),7-tetraene-3,17a-diol diacetate","estra-1,3,5(10),7-tetraene-3,17-diyl diacetate",CC(=O)O[C@@H]1CC[C@H]2C3=CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]12C,CC(=O)O[C@@H]1CC[C@H]2C3=CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]12C,"InChI=1/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5-7,12,18,20-21H,4,8-11H2,1-3H3",C22H26O4,,,,,,ZAGLOMJROUNZHS-ZDFPQIBNSA-N,,,,,,,,,,,
100.061.793,267-992-7,67969-91-9,Sodium 2-amino-4-(3-chlorobenzamido)benzenesulphonate,sodium 2-amino-4-[(3-chlorobenzoyl)amino]benzenesulfonate,[Na+].Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1S(=O)(=O)[O-],[Na+].Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1S(=O)(=O)[O-],"InChI=1/C13H11ClN2O4S.Na/c14-9-3-1-2-8(6-9)13(17)16-10-4-5-12(11(15)7-10)21(18,19)20;/h1-7H,15H2,(H,16,17)(H,18,19,20);/q;+1/p-1",C13H11ClN2O4S.Na,,,,,,SKJAAUJJRIMKDX-UHFFFAOYSA-M,,,,,,,,,,,
100.035.121,238-649-9,14613-28-6,[2-(4-chlorophenoxy)-2-methylpropionato-O1]dihydroxyaluminium,aluminum dihydroxide 2-(4-chlorophenoxy)-2-methylpropanoate,CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Al](O)O,CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Al](O)O,"InChI=1/C10H11ClO3.Al.2H2O/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;;/h3-6H,1-2H3,(H,12,13);;2*1H2/q;+3;;/p-3/rC10H12AlClO5/c1-10(2,9(13)17-11(14)15)16-8-5-3-7(12)4-6-8/h3-6,14-15H,1-2H3",C10H12AlClO5,,,,,,LOMIGYOPIGXXMW-UHFFFAOYSA-K,,,,,,,,,,,
100.035.122,238-650-4,14613-30-0,Magnesium clofibrate,2-(4-chlorophenoxy)-2-methylpropanoic acid,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,CC(C)(Oc1ccc(Cl)cc1)C(=O)O,"InChI=1/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)",C10H11ClO3.1/2Mg,,,,,,TXCGAZHTZHNUAI-UHFFFAOYSA-N,Positive/Negative,EA020401|EA020403|EA020404|EA020409|EA020411|EA020413,[M+H]+,CID35|HCD30|HCD45|HCD30|HCD60|HCD90,159.0308:169.0171:77.0384|159.0309:77.0385:105.0448|77.0387:105.045:95.0496|159.0301:77.0384:169.0171|105.0447:53.0385:77.0385|77.0384:53.0386:105.0446,Eawag,SM854751;EA020451|EA020452|EA020453|EA020454|EA020455|EA020456|EA020457|EA020458|EA020459|EA020460|EA020461|EA020462|EA020463,[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,126.9953:213.0325;126.9959:85.0297:213.0447|126.9955:213.0324:85.0296|126.9959:85.0297|126.9955:85.0296:213.0436|126.9957:85.0293|126.9957|126.9955|126.9956:213.032:85.0295|126.9957:85.0295|126.9959|126.9957:85.0296|126.9958|126.9954,CASMI_2016;Eawag
100.036.627,240-306-3,16154-10-2,"9-chloro-11ß,17-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-valerate","9-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C)C(=O)C,CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C)C(=O)C,"InChI=1/C27H37ClO5/c1-6-7-8-23(32)33-27(17(3)29)16(2)13-21-20-10-9-18-14-19(30)11-12-24(18,4)26(20,28)22(31)15-25(21,27)5/h11-12,14,16,20-22,31H,6-10,13,15H2,1-5H3",C27H37ClO5,,,,,,UTBUEROVEKAUST-VADKKIFPSA-N,,,,,,,,,,,
100.036.633,240-313-1,16177-21-2,Sodium L-glutamate,disodium 2-aminopentanedioate,[Na+].[Na+].N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C5H9NO4.xNa,,,,,,PXEDJBXQKAGXNJ-QTNFYWBSSA-L,,,,,,,,,,,
100.036.635,240-315-2,16179-44-5,2-hydroxyethyl cyclohexanecarboxylate,2-hydroxyethyl cyclohexanecarboxylate,OCCOC(=O)C1CCCCC1,OCCOC(=O)C1CCCCC1,"InChI=1/C9H16O3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h8,10H,1-7H2",C9H16O3,,,,,,HNBNKZUJQWPLIO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.638,240-318-9,16182-04-0,Ethyl isothiocyanatoformate,ethyl isothiocyanatocarbonate,CCOC(=O)N=C=S,CCOC(=O)N=C=S,"InChI=1/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3",C4H5NO2S,,,,,,BDTDECDAHYOJRO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.639,240-319-4,16182-15-3,Mesitylene-2-sulphonohydrazide,"2,4,6-trimethylbenzenesulfonohydrazide",Cc1cc(C)c(c(C)c1)S(=O)(=O)NN,Cc1cc(C)c(c(C)c1)S(=O)(=O)NN,"InChI=1/C9H14N2O2S/c1-6-4-7(2)9(8(3)5-6)14(12,13)11-10/h4-5,11H,10H2,1-3H3",C9H14N2O2S,,,,,,JQUBKTQDNVZHIY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.642,240-323-6,16191-84-7,1-chloro-4-[(2-chloroethyl)sulphonyl]benzene,1-chloro-4-[(2-chloroethyl)sulfonyl]benzene,ClCCS(=O)(=O)c1ccc(Cl)cc1,ClCCS(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C8H8Cl2O2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2",C8H8Cl2O2S,,,,,,KXQHTLXSDBXWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.645,240-326-2,16196-82-0,"1-[(5a,7a)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone","1-(3,6-dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl)ethanone",COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]6(CC[C@@]35C[C@@H]6C(=O)C)OC,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]6(CC[C@@]35C[C@@H]6C(=O)C)OC,"InChI=1/C23H29NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-6,15,17,20H,7-12H2,1-4H3",C23H29NO4,,,,,,KRWAWNXEYPCCLG-LLGZQOTFSA-N,,,,,,,,,,,
100.036.646,240-327-8,16199-06-7,"1H-pyrrole, potassium salt",1H-pyrrole,c1cc[nH]c1,c1cc[nH]c1,InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H,C4H5N.K,,,,,,KAESVJOAVNADME-UHFFFAOYSA-N,Positive,SM815506,[M+H]+,HCD35,68.0496:53.0024,CASMI_2016,,,,,
100.036.647,240-328-3,16199-74-9,a-cyclohexylthiophen-3-acetic acid,cyclohexyl(3-thienyl)acetic acid,OC(=O)C(C1CCCCC1)c2ccsc2,OC(=O)C(C1CCCCC1)c2ccsc2,"InChI=1/C12H16O2S/c13-12(14)11(10-6-7-15-8-10)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,13,14)",C12H16O2S,,,,,,OEEPFYFKBOUIEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.650,240-332-5,16203-25-1,"[3S-(3a,3aa,6a,8aa)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylic acid","7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid",CC1(C)C2CCC3(C2)C(CCC3C1=C)C(=O)O,CC1(C)C2CCC3(C2)C(CCC3C1=C)C(=O)O,"InChI=1/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)",C15H22O2,,,,,,IJGMVUXEZUEDJR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.653,240-335-1,16205-90-6,Ethyl hex-2-ynoate,ethyl hex-2-ynoate,CCCC#CC(=O)OCC,CCCC#CC(=O)OCC,"InChI=1/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3-5H2,1-2H3",C8H12O2,,,,,,ZFMNCZDBAHELNX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.732,238-222-7,14295-43-3,"4,7-dichloro-2-(4,7-dichloro-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one","4,4',7,7'-tetrachloro-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",O=C3c4c(Cl)ccc(Cl)c4SC3=C2Sc1c(Cl)ccc(Cl)c1C2=O,O=C3c4c(Cl)ccc(Cl)c4SC3=C2Sc1c(Cl)ccc(Cl)c1C2=O,InChI=1/C16H4Cl4O2S2/c17-5-1-3-7(19)13-9(5)11(21)15(23-13)16-12(22)10-6(18)2-4-8(20)14(10)24-16/h1-4H,C16H4Cl4O2S2,,,,,,KZFMOINJHMONLW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.734,238-224-8,14295-64-8,Glycerol triisobutyrate,"propane-1,2,3-triyl tris(2-methylpropanoate)",CC(C)C(=O)OCC(COC(=O)C(C)C)OC(=O)C(C)C,CC(C)C(=O)OCC(COC(=O)C(C)C)OC(=O)C(C)C,"InChI=1/C15H26O6/c1-9(2)13(16)19-7-12(21-15(18)11(5)6)8-20-14(17)10(3)4/h9-12H,7-8H2,1-6H3",C15H26O6,,,,,,REAAUFDFYPKMIR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.190,236-524-3,13419-59-5,Trisodium sulphonatosuccinate,trisodium 2-sulfonatosuccinate,[Na+].[Na+].[Na+].[O-]C(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]C(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C4H6O7S.3Na/c5-3(6)1-2(4(7)8)12(9,10)11;;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;3*+1/p-3",C4H6O7S.3Na,,,,,,ZXGOACRTCPRVON-UHFFFAOYSA-K,,,,,,,,,,,
100.033.201,236-536-9,13422-90-7,N-(2-chloroethyl)dibutylamine,N-butyl-N-(2-chloroethyl)butan-1-amine,CCCCN(CCCl)CCCC,CCCCN(CCCl)CCCC,"InChI=1/C10H22ClN/c1-3-5-8-12(10-7-11)9-6-4-2/h3-10H2,1-2H3",C10H22ClN,,,,,,GWHSVFQLPXJHBX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.202,236-537-4,13423-15-9,Tetrahydro-3-methylfuran,3-methyltetrahydrofuran,CC1CCOC1,CC1CCOC1,"InChI=1/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3",C5H10O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11437,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.202,LJPCNSSTRWGCMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.205,236-541-6,13423-78-4,Tris(2-cyclohexylphenyl) phosphite,tris(2-cyclohexylphenyl) phosphite,C1CCC(CC1)c2ccccc2OP(Oc3ccccc3C4CCCCC4)Oc5ccccc5C6CCCCC6,C1CCC(CC1)c2ccccc2OP(Oc3ccccc3C4CCCCC4)Oc5ccccc5C6CCCCC6,"InChI=1/C36H45O3P/c1-4-16-28(17-5-1)31-22-10-13-25-34(31)37-40(38-35-26-14-11-23-32(35)29-18-6-2-7-19-29)39-36-27-15-12-24-33(36)30-20-8-3-9-21-30/h10-15,22-30H,1-9,16-21H2",C36H45O3P,,,,,,XUHUMYVYHLHMCD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.206,236-542-1,13424-46-9,Lead diazide,-,[Pb+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-],[Pb+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-],InChI=1/2N3.Pb.2H/c2*1-3-2;;;/q2*-1;+4;;/r2N3.H2Pb/c2*1-3-2;/h;;1H2/q2*-1;+4,N6Pb,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14345,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.206,ISEQAARZRCDNJH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.210,236-546-3,13427-63-9,2-hydroxyethylammonium hydrogen sulphite,2-hydroxyethanaminium hydrogen sulfite,[NH3+]CCO.[O-]S(=O)[O-],[NH3+]CCO.[O-]S(=O)[O-],"InChI=1/C2H7NO.H2O3S/c3-1-2-4;1-4(2)3/h4H,1-3H2;(H2,1,2,3)/p-1",C2H7NO.H2O3S,,,,,,IRXCDPBORZPMNE-UHFFFAOYSA-M,,,,,,,,,,,
100.033.218,236-555-2,13432-32-1,"1-amino-2,4-dichloroanthraquinone","1-amino-2,4-dichloro-9,10-anthraquinone",Nc1c(Cl)cc(Cl)c2C(=O)c3ccccc3C(=O)c12,Nc1c(Cl)cc(Cl)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H7Cl2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2",C14H7Cl2NO2,,,,,,HVNFHSIIPHSECS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.219,236-556-8,13433-00-6,Diethyl aminomalonate hydrochloride,diethyl aminomalonate hydrochloride,Cl.CCOC(=O)C(N)C(=O)OCC,Cl.CCOC(=O)C(N)C(=O)OCC,"InChI=1/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H",C7H13NO4.ClH,,,,,,GLFVNTDRBTZJIY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.228,236-566-2,13435-20-6,Tetraethylammonium cyanide,"N,N,N-triethylethanaminium cyanide",CC[N+](CC)(CC)CC.[C-]#N,CC[N+](CC)(CC)CC.[C-]#N,"InChI=1/C8H20N.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1",C8H20N.CN,,,,,,PCZOZSATUTWXIC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.230,236-568-3,13436-45-8,2-methoxytetrahydrofuran,2-methoxytetrahydrofuran,COC1CCCO1,COC1CCCO1,"InChI=1/C5H10O2/c1-6-5-3-2-4-7-5/h5H,2-4H2,1H3",C5H10O2,,,,,,OKAMTPRCXVGTND-UHFFFAOYSA-N,,,,,,,,,,,
100.033.232,236-570-4,13436-79-8,"2,2'-[(4,6-dichloro-1,3,5-triazin-2-yl)imino]bisethanol","2,2'-[(4,6-dichloro-1,3,5-triazin-2-yl)imino]diethanol",OCCN(CCO)c1nc(Cl)nc(Cl)n1,OCCN(CCO)c1nc(Cl)nc(Cl)n1,"InChI=1/C7H10Cl2N4O2/c8-5-10-6(9)12-7(11-5)13(1-3-14)2-4-15/h14-15H,1-4H2",C7H10Cl2N4O2,,,,,,GAVNYHWVCOTMTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.901,260-410-2,56863-02-6,"(9Z,12Z)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dien-1-amide","N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)N(CCO)CCO,CCCCC\C=C/C\C=C/CCCCCCCC(=O)N(CCO)CCO,"InChI=1/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3",C22H41NO3,,,,,,CKNOIIXFUKKRIC-HZJYTTRNSA-N,,,,,,,,,,,
100.054.902,260-411-8,56871-82-0,Sodium (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)[O-],[Na+].CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)[O-],"InChI=1/C8H10N2O3S.Na/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13;/h4,7H,2,9H2,1H3,(H,12,13);/q;+1/p-1",C8H10N2O3S.Na,,,,,,BCKQLZUUSACLHI-IFWXDMMISA-M,,,,,,,,,,,
100.054.908,260-418-6,56878-33-2,"Tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate]",tetrasodium 4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(4-sulfonatophenyl)diazenyl]-2-naphthyl}carbamoyl)amino]-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)S([O-])(=O)=O)c6O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)S([O-])(=O)=O)c6O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C33H24N6O15S4.4Na/c40-31-25-11-5-21(13-17(25)15-27(57(49,50)51)29(31)38-36-19-1-7-23(8-2-19)55(43,44)45)34-33(42)35-22-6-12-26-18(14-22)16-28(58(52,53)54)30(32(26)41)39-37-20-3-9-24(10-4-20)56(46,47)48;;;;/h1-16,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C33H24N6O15S4.4Na,,,,,,RVBPEPBHFLAQTE-UHFFFAOYSA-J,,,,,,,,,,,
100.034.654,238-137-5,14259-45-1,"[2aS-(2aa,4aa,5a,7ba)]-5-(ß-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-ylmethyl acetate","[5-(hexopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate",CC(=O)OCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C23,CC(=O)OCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C23,"InChI=1/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3",C18H22O11,,,,,,IBIPGYWNOBGEMH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.661,238-144-3,14263-16-2,"Bis(6-methylheptane-2,4-dionato-O,O')manganese",manganese(2+) bis(6-methyl-2-oxohept-3-en-4-olate),CC(C)CC(=CC(=O)C)O[Mn]OC(=CC(=O)C)CC(C)C,CC(C)CC(=CC(=O)C)O[Mn]OC(=CC(=O)C)CC(C)C,"InChI=1/2C8H14O2.Mn/c2*1-6(2)4-8(10)5-7(3)9;/h2*5-6,10H,4H2,1-3H3;/q;;+2/p-2",C16H26MnO4,,,,,,YVDIPTZMMLIGBP-UHFFFAOYSA-L,,,,,,,,,,,
100.034.667,238-151-1,14263-92-4,2-chlorobenzenediazonium tetrachlorozincate (2:1),bis(2-chlorobenzenediazonium) tetrachlorozincate(2-),Clc1ccccc1[N+]#N.Clc2ccccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,Clc1ccccc1[N+]#N.Clc2ccccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C6H4ClN2.4ClH.Zn/c2*7-5-3-1-2-4-6(5)9-8;;;;;/h2*1-4H;4*1H;/q2*+1;;;;;+2/p-4/r2C6H4ClN2.Cl4Zn/c2*7-5-3-1-2-4-6(5)9-8;1-5(2,3)4/h2*1-4H;/q2*+1;-2",C6H4ClN2.1/2Cl4Zn,,,,,,DAGOHHHQXOCGSB-UHFFFAOYSA-J,,,,,,,,,,,
100.034.675,238-160-0,14268-54-3,3-cyanopropenyl acetate,3-cyanoprop-1-en-1-yl acetate,CC(=O)OC=CCC#N,CC(=O)OC=CCC#N,"InChI=1/C6H7NO2/c1-6(8)9-5-3-2-4-7/h3,5H,2H2,1H3",C5H5NO2,,,,,,MKRMMZVJLMWNKE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.631,233-708-5,10323-20-3,D-arabinose,D-arabinose,OC[C@@H](O)[C@@H](O)[C@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-WDCZJNDASA-N,,,,,,,,,,,
100.030.633,233-710-6,"10022-68-1, 10325-94-7",Cadmium nitrate,cadmium dinitrate,[Cd+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Cd+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Cd.2NO3/c;2*2-1(3)4/q+2;2*-1,Cd.2HNO3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1972,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.633,XIEPJMXMMWZAAV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.634,233-711-1,10326-21-3,Magnesium chlorate,magnesium dichlorate,[Mg+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Mg+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/2ClHO3.Mg/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",ClHO3.1/2Mg,,,,,,NNNSKJSUQWKSAM-UHFFFAOYSA-L,,,,,,,,,,,
100.030.636,233-713-2,10326-41-7,(R)-lactic acid,2-hydroxypropanoic acid,C[C@@H](O)C(=O)O,C[C@@H](O)C(=O)O,"InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)",C3H6O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12317,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.636,JVTAAEKCZFNVCJ-UWTATZPHSA-N,,,,,,,,,,,
100.030.640,233-717-4,10329-98-3,1-naphthyl 2-acetamido-2-deoxy-ß-D-glucopyranoside,1-naphthyl 2-acetamido-2-deoxy-beta-D-glucopyranoside,CC(=O)N[C@H]1[C@H](Oc2cccc3ccccc23)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(=O)N[C@H]1[C@H](Oc2cccc3ccccc23)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)",C18H21NO6,,,,,,QJRYPNZYBXWKEV-DUQPFJRNSA-N,,,,,,,,,,,
100.030.641,233-719-5,10330-04-8,Disodium 3-[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-naphthyl]azo]salicylate,disodium 3-({4-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].Oc5c(cccc5N=Nc4ccc(N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O)c3ccccc34)C([O-])=O,[Na+].[Na+].Oc5c(cccc5N=Nc4ccc(N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O)c3ccccc34)C([O-])=O,"InChI=1/C27H19N5O7S.2Na/c28-15-9-8-14-12-23(40(37,38)39)24(26(34)19(14)13-15)32-30-21-11-10-20(16-4-1-2-5-17(16)21)29-31-22-7-3-6-18(25(22)33)27(35)36;;/h1-13,33-34H,28H2,(H,35,36)(H,37,38,39);;/q;2*+1/p-2",C27H19N5O7S.2Na,,,,,,QENJECLVTWIZIG-UHFFFAOYSA-L,,,,,,,,,,,
100.030.642,233-720-0,10331-57-4,Niclofolan,"5,5'-dichloro-3,3'-dinitrobiphenyl-2,2'-diol",Oc1c(cc(Cl)cc1[N+](=O)[O-])c2cc(Cl)cc(c2O)[N+](=O)[O-],Oc1c(cc(Cl)cc1[N+](=O)[O-])c2cc(Cl)cc(c2O)[N+](=O)[O-],"InChI=1/C12H6Cl2N2O6/c13-5-1-7(11(17)9(3-5)15(19)20)8-2-6(14)4-10(12(8)18)16(21)22/h1-4,17-18H",C12H6Cl2N2O6,,,,,,XULACPAEUUWKFX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.643,233-721-6,10332-17-9,Methyl methionate,methyl methioninate,COC(=O)C(N)CCSC,COC(=O)C(N)CCSC,"InChI=1/C6H13NO2S/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3",C6H13NO2S,,,,,,UIHPNZDZCOEZEN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.775,241-569-7,17598-96-8,"3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol","3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol",OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2",C26H54O14,,,,,,AKWFJQNBHYVIPY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.783,241-578-6,17606-72-3,4-O-a-D-glucopyranosyl-D-fructose,4-O-alpha-D-glucopyranosyl-D-fructose,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)C(=O)CO,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)C(=O)CO,"InChI=1/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h5-15,17-21H,1-3H2",C12H22O11,,,,,,PFCRQPBOOFTZGQ-RGXJTGTOSA-N,,,,,,,,,,,
100.037.785,241-580-7,17609-47-1,Ethyl L-valinate hydrochloride,ethyl L-valinate hydrochloride,Cl.CCOC(=O)[C@@H](N)C(C)C,Cl.CCOC(=O)[C@@H](N)C(C)C,"InChI=1/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H",C7H15NO2.ClH,,,,,,PQGVTLQEKCJXKF-RGMNGODLSA-N,,,,,,,,,,,
100.061.797,267-996-9,67969-95-3,"Sodium 1-amino-9,10-dihydro-4-[(2-methoxy-5-methylphenyl)amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(2-methoxy-5-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].COc1ccc(C)cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[Na+].COc1ccc(C)cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C22H18N2O6S.Na/c1-11-7-8-16(30-2)14(9-11)24-15-10-17(31(27,28)29)20(23)19-18(15)21(25)12-5-3-4-6-13(12)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1",C22H18N2O6S.Na,,,,,,JCOMKGAHOHWEAM-UHFFFAOYSA-M,,,,,,,,,,,
100.061.799,267-999-5,67970-23-4,N-[2-[(aminocarbonyl)(2-hydroxyethyl)amino]ethyl]stearamide,N-{2-[carbamoyl(2-hydroxyethyl)amino]ethyl}octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)N,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)N,"InChI=1/C23H47N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)25-18-19-26(20-21-27)23(24)29/h27H,2-21H2,1H3,(H2,24,29)(H,25,28)",C23H47N3O3,,,,,,DHUMLDQZOQCRKP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.805,268-005-2,67984-81-0,"2,3-dihydroxybenzonitrile","2,3-dihydroxybenzonitrile",Oc1cccc(C#N)c1O,Oc1cccc(C#N)c1O,"InChI=1/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H",C7H5NO2,,,,,,XHPDHXXZBWDFIB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.807,268-007-3,67989-23-5,"1,2,4-Benzenetricarboxylic acid, decyl octyl ester",3-[(decyloxy)carbonyl]-4-[(octyloxy)carbonyl]benzoic acid,CCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCC)C(=O)O,CCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCC)C(=O)O,"InChI=1/C27H42O6/c1-3-5-7-9-11-12-14-16-20-33-27(31)24-21-22(25(28)29)17-18-23(24)26(30)32-19-15-13-10-8-6-4-2/h17-18,21H,3-16,19-20H2,1-2H3,(H,28,29)",-,,,,,,YAPOOHVHUYCFQF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.808,268-008-9,67989-24-6,"9-Octadecenoic acid (Z)-, ester with 2,2-dimethyl-1,3-propanediol","3-hydroxy-2,2-dimethylpropyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(C)(C)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)(C)CO,"InChI=1/C23H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)26-21-23(2,3)20-24/h11-12,24H,4-10,13-21H2,1-3H3",-,,,,,,VVEKMBGQZPFARL-QXMHVHEDSA-N,,,,,,,,,,,
100.061.822,268-024-6,67990-00-5,"1,3-dioxacyclotridecan-2-one","1,3-dioxacyclotridecan-2-one",O=C1OCCCCCCCCCCO1,O=C1OCCCCCCCCCCO1,InChI=1/C11H20O3/c12-11-13-9-7-5-3-1-2-4-6-8-10-14-11/h1-10H2,C11H20O3,,,,,,BNKAOFCGRFIIHY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.297,266-347-7,66410-49-9,"7-(N,N-dimethylsulphamoyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid","7-(dimethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid",CN(C)S(=O)(=O)c1cc2OCCOc2c(c1)C(=O)O,CN(C)S(=O)(=O)c1cc2OCCOc2c(c1)C(=O)O,"InChI=1/C11H13NO6S/c1-12(2)19(15,16)7-5-8(11(13)14)10-9(6-7)17-3-4-18-10/h5-6H,3-4H2,1-2H3,(H,13,14)",C11H13NO6S,,,,,,ZRISRDUHJZSFSK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.306,266-357-1,66422-95-5,"2-(2,4-diaminophenoxy)ethanol dihydrochloride","2-(2,4-diaminophenoxy)ethanol dihydrochloride",Cl.Cl.Nc1ccc(OCCO)c(N)c1,Cl.Cl.Nc1ccc(OCCO)c(N)c1,"InChI=1/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H",C8H12N2O2.2ClH,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10194,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.306,VXYWXJXCQSDNHX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.307,266-358-7,66423-13-0,Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate,octyl 2-(4-chloro-2-methylphenoxy)propanoate,CCCCCCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C,CCCCCCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C,"InChI=1/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3",C18H27ClO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10015,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.307,QWQMRXFSCXUHMR-OAHLLOKOSA-N,,,,,,,,,,,
100.060.322,266-374-4,66471-49-6,"2,7-dimethyloct-6-en-4-one","2,7-dimethyloct-6-en-4-one",CC(C)CC(=O)CC=C(C)C,CC(C)CC(=O)CC=C(C)C,"InChI=1/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5,9H,6-7H2,1-4H3",C10H18O,,,,,,FLWSXFDNJHUPRX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.328,266-381-2,66496-82-0,3-chloromethyl-1-methylpiperidinium chloride,3-(chloromethyl)-1-methylpiperidinium chloride,[Cl-].C[NH+]1CCCC(CCl)C1,[Cl-].C[NH+]1CCCC(CCl)C1,"InChI=1/C7H14ClN.ClH/c1-9-4-2-3-7(5-8)6-9;/h7H,2-6H2,1H3;1H",C7H14ClN.ClH,,,,,,LHOMMYSCOSRBQM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.329,266-382-8,66499-05-6,Dibutoxydichlorostannane,dibutoxy(dichloro)stannane,CCCCO[Sn](Cl)(Cl)OCCCC,CCCCO[Sn](Cl)(Cl)OCCCC,"InChI=1/2C4H9O.2ClH.Sn/c2*1-2-3-4-5;;;/h2*2-4H2,1H3;2*1H;/q2*-1;;;+4/p-2/rC8H18Cl2O2Sn/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3",C8H18Cl2O2Sn,,,,,,LGXWTBCZNQFBEL-UHFFFAOYSA-L,,,,,,,,,,,
100.055.355,260-910-0,57702-05-3,Tridecanone,tridecan-2-one,CCCCCCCCCCCC(=O)C,CCCCCCCCCCCC(=O)C,"InChI=1/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3",C13H26O,,,,,,CYIFVRUOHKNECG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.356,260-911-6,57704-13-9,5-bromo-a-(chloromethyl)-7-ethylbenzofuran-2-methanol,1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanol,CCc1cc(Br)cc2cc(oc12)C(O)CCl,CCc1cc(Br)cc2cc(oc12)C(O)CCl,"InChI=1/C12H12BrClO2/c1-2-7-3-9(13)4-8-5-11(10(15)6-14)16-12(7)8/h3-5,10,15H,2,6H2,1H3",C12H12BrClO2,,,,,,GPOBDLAUCDZDIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.367,260-923-1,57734-58-4,1-(benzyl)-2-(nitromethylene)pyrrolidine,1-benzyl-2-(nitromethylene)pyrrolidine,[O-][N+](=O)C=C2CCCN2Cc1ccccc1,[O-][N+](=O)C=C2CCCN2Cc1ccccc1,"InChI=1/C12H14N2O2/c15-14(16)10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2",C12H14N2O2,,,,,,QGRRJDFZPVWRGG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.740,238-231-6,14298-31-8,Praseodymium phosphate,praseodymium phosphate,[Pr+3].[O-]P(=O)([O-])[O-],[Pr+3].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Pr/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",H3O4P.Pr,,,,,,KDCUNMWWJBHRSC-UHFFFAOYSA-K,,,,,,,,,,,
100.034.743,238-234-2,14298-38-5,Erbium phosphate,erbium phosphate,[Er+3].[O-]P(=O)([O-])[O-],[Er+3].[O-]P(=O)([O-])[O-],"InChI=1/Er.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",Er.H3O4P,,,,,,XFULIUKARWFBDF-UHFFFAOYSA-K,,,,,,,,,,,
100.034.744,238-235-8,14298-39-6,Holmium phosphate,holmium phosphate,[Ho+3].[O-]P(=O)([O-])[O-],[Ho+3].[O-]P(=O)([O-])[O-],"InChI=1/Ho.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",H3O4P.Ho,,,,,,ZFEZZRFBMNCXLQ-UHFFFAOYSA-K,,,,,,,,,,,
100.034.746,238-237-9,14301-36-1,"N-[2-(3,4-dimethoxyphenyl)ethyl]formamide","N-[2-(3,4-dimethoxyphenyl)ethyl]formamide",COc1ccc(CCNC=O)cc1OC,COc1ccc(CCNC=O)cc1OC,"InChI=1/C11H15NO3/c1-14-10-4-3-9(5-6-12-8-13)7-11(10)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)",C11H15NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17006,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.746,WUZNVFUYFDVUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.747,238-238-4,14302-13-7,"[1,3,8,16,18,24-hexabromo-2,4,9,10,11,15,17,22,23,25-decachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper","[1,3,8,16,18,24-hexabromo-2,4,9,10,11,15,17,22,23,25-decachloro-29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper",Clc1c(Cl)c(Br)c2C3=N\\C(=N/c4c5c(Cl)c(Br)c(Cl)c(Br)c5c6\\N=C\\7/N=C(\\N=C\\8/N([Cu]n46)\\C(=N/3)\\c9c(Cl)c(Br)c(Cl)c(Br)c89)c%10c(Cl)c(Br)c(Cl)c(Cl)c7%10)\\c2c1Cl,Clc1c(Cl)c(Br)c2C3=N\C(=N/c4c5c(Cl)c(Br)c(Cl)c(Br)c5c6\N=C\7/N=C(\N=C\8/N([Cu]n46)\C(=N/3)\c9c(Cl)c(Br)c(Cl)c(Br)c89)c%10c(Cl)c(Br)c(Cl)c(Cl)c7%10)\c2c1Cl,InChI=1/C32Br6Cl10N8.Cu/c33-9-1-4(15(39)12(36)20(9)44)28-49-25(1)53-31-7-8(18(42)23(47)14(38)17(7)41)32(56-31)54-26-2-5(16(40)13(37)21(45)10(2)34)29(50-26)55-30-6-3(27(51-28)52-30)11(35)22(46)24(48)19(6)43;/q-2;+2/rC32Br6Cl10CuN8/c33-9-1-4(19(43)24(48)22(9)46)26-50-25(1)52-31-7-2(10(34)20(44)12(36)16(7)40)29-53-27-5-6(18(42)23(47)14(38)15(5)39)28(51-27)54-30-3-8(17(41)13(37)21(45)11(3)35)32(55-26)57(30)49-56(29)31,C32Br6Cl10CuN8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13633,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.747,JRJLLXQDXANQEC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.748,238-240-5,14302-46-6,3-aminopropan-1-ol hydrochloride,3-aminopropan-1-ol hydrochloride,Cl.NCCCO,Cl.NCCCO,"InChI=1/C3H9NO.ClH/c4-2-1-3-5;/h5H,1-4H2;1H",C3H9NO.ClH,,,,,,RIAJTMUAPNIDSS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.251,239-892-3,15792-41-3,"Trisodium 4-hydroxy-3-[(2-sulphonatophenyl)azo]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulphonate","trisodium 4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c(Cl)n4,[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c(Cl)n4,"InChI=1/C20H12Cl3N5O10S3.3Na/c21-15-18(22)25-20(23)26-19(15)24-11-7-9(39(30,31)32)5-8-6-13(41(36,37)38)16(17(29)14(8)11)28-27-10-3-1-2-4-12(10)40(33,34)35;;;/h1-7,29H,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",C20H12Cl3N5O10S3.3Na,,,,,,ZHDFKPUCUYZGGM-UHFFFAOYSA-K,,,,,,,,,,,
100.036.261,239-903-1,15805-10-4,"5,5'-methylenebis(1H-benzotriazole)",5-(1H-benzotriazol-6-ylmethyl)-1H-benzotriazole,C(c1ccc2[nH]nnc2c1)c3ccc4nn[nH]c4c3,C(c1ccc2[nH]nnc2c1)c3ccc4nn[nH]c4c3,"InChI=1/C13H10N6/c1-3-10-12(16-18-14-10)6-8(1)5-9-2-4-11-13(7-9)17-19-15-11/h1-4,6-7H,5H2,(H,14,16,18)(H,15,17,19)",C13H10N6,,,,,,IWASLBFJTMJYHF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.268,239-911-5,15811-54-8,"2,2'-(2,2',3,3',5,5',6,6'-octachlorobiphenyl-4,4'-ylenediimino)diethanol","2,2'-[(2,2',3,3',5,5',6,6'-octachlorobiphenyl-4,4'-diyl)diimino]diethanol",OCCNc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(NCCO)c(Cl)c2Cl,OCCNc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(NCCO)c(Cl)c2Cl,"InChI=1/C16H12Cl8N2O2/c17-7-5(8(18)12(22)15(11(7)21)25-1-3-27)6-9(19)13(23)16(26-2-4-28)14(24)10(6)20/h25-28H,1-4H2",C16H12Cl8N2O2,,,,,,IQQMBEJKKYHXKS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.700,233-783-4,10361-11-2,"Nonyl 3,4,5-trihydroxybenzoate","nonyl 3,4,5-trihydroxybenzoate",CCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,CCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C16H24O5/c1-2-3-4-5-6-7-8-9-21-16(20)12-10-13(17)15(19)14(18)11-12/h10-11,17-19H,2-9H2,1H3",C16H24O5,,,,,,KSNJEADFLJNDCP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.705,233-789-7,10361-39-4,Benzyl valerate,benzyl valerate,CCCCC(=O)OCc1ccccc1,CCCCC(=O)OCc1ccccc1,"InChI=1/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",C12H16O2,,,,,,YZJCDVRXBOPXSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.706,233-790-2,10361-43-0,Bismuth trihydroxide,bismuth(3+) trihydroxide,[OH-].[OH-].[OH-].[BiH3+3],[OH-].[OH-].[OH-].[BiH3+3],InChI=1/Bi.3H2O.3H/h;3*1H2;;;/q+3;;;;;;/p-3/rBiH3.3H2O/h1H3;3*1H2/q+3;;;/p-3,BiH3O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5663,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.706,YLAJCAVAAJKOMG-UHFFFAOYSA-K,,,,,,,,,,,
100.030.710,233-794-4,10361-79-2,Praseodymium trichloride,praseodymium trichloride,[Cl-].[Cl-].[Cl-].[Pr+3],[Cl-].[Cl-].[Cl-].[Pr+3],InChI=1/3ClH.Pr/h3*1H;/q;;;+3/p-3,Cl3Pr,,,,,,LHBNLZDGIPPZLL-UHFFFAOYSA-K,,,,,,,,,,,
100.030.722,233-807-3,10366-05-9,"5,11-dichlorotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene","5,11-dichlorotricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene",Clc1cc2CCc3ccc(CCc1cc2)cc3Cl,Clc1cc2CCc3ccc(CCc1cc2)cc3Cl,"InChI=1/C16H14Cl2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2",C16H14Cl2,,,,,,NKTYDTSCVMKWHY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.914,260-424-9,56899-56-0,"1,1,3,3-tetramethylguanidinium azide","(dimethylamino)(imino)-N,N-dimethylmethanaminium azide",CN(C)C(=N)[NH+](C)C.[N-]=[N+]=[N-],CN(C)C(=N)[NH+](C)C.[N-]=[N+]=[N-],"InChI=1/C5H13N3.N3/c1-7(2)5(6)8(3)4;1-3-2/h6H,1-4H3;/q;-1/p+1",C5H13N3.HN3,,,,,,ZMMRLWFGWQVVJD-UHFFFAOYSA-O,,,,,,,,,,,
100.054.915,260-425-4,56902-79-5,"Silicic acid, zinc zirconium salt",-,[Zn+2].[Zr+2].[O-][Si](=O)[O-],[Zn+2].[Zr+2].[O-][Si](=O)[O-],InChI=1/O3Si.Zn.Zr/c1-4(2)3;;/q-2;2*+2,-,,,,,,LJLOMJSKCCBDQE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.918,260-429-6,56914-95-5,"(3aa,4ß,5ß,7ß,7aa)-octahydro-4,7-methano-1H-indene-5-methanol","octahydro-1H-4,7-methanoinden-5-ylmethanol",OC[C@@H]1C[C@@H]2C[C@H]1[C@H]3CCC[C@@H]23,OC[C@@H]1C[C@@H]2C[C@H]1[C@H]3CCC[C@@H]23,"InChI=1/C11H18O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h7-12H,1-6H2",C11H18O,,,,,,HSPRVWPULGKMRC-ORMBPQIASA-N,,,,,,,,,,,
100.054.926,260-438-5,56922-73-7,Isopentyl 3-methyl-2-butenoate,3-methylbutyl 3-methylbut-2-enoate,CC(C)CCOC(=O)C=C(C)C,CC(C)CCOC(=O)C=C(C)C,"InChI=1/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3",C10H18O2,,,,,,DBGLRAHCYJTYEH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.930,260-442-7,56922-80-6,(E)-hex-3-enyl formate,hex-3-en-1-yl formate,CC\\C=C\\CCOC=O,CC\C=C\CCOC=O,"InChI=1/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3",C7H12O2,,,,,,XJHQVZQZUGLZLS-ONEGZZNKSA-N,,,,,,,,,,,
100.054.931,260-443-2,56922-81-7,(E)-hex-3-enyl valerate,hex-3-en-1-yl valerate,CCCCC(=O)OCC\\C=C\\CC,CCCCC(=O)OCC\C=C\CC,"InChI=1/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3",C11H20O2,,,,,,XPFTVTFOOTVHIA-FNORWQNLSA-N,,,,,,,,,,,
100.054.935,260-447-4,56927-95-8,"(2,4-dichlorophenoxy)propanol","1-(2,4-dichlorophenoxy)propan-1-ol",CCC(O)Oc1ccc(Cl)cc1Cl,CCC(O)Oc1ccc(Cl)cc1Cl,"InChI=1/C9H10Cl2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5,9,12H,2H2,1H3",C9H10Cl2O2,,,,,,YPBXFEZZIARTHS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.937,260-450-0,56932-44-6,2-(2-amino-4-nitroanilino)ethanol,2-[(2-amino-4-nitrophenyl)amino]ethanol,Nc1cc(ccc1NCCO)[N+](=O)[O-],Nc1cc(ccc1NCCO)[N+](=O)[O-],"InChI=1/C8H11N3O3/c9-7-5-6(11(13)14)1-2-8(7)10-3-4-12/h1-2,5,10,12H,3-4,9H2",C8H11N3O3,,,,,,OWMQBFHMJVSJSA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.938,260-451-6,56932-45-7,"2-[(2-amino-4-nitrophenyl)amino]-2-(hydroxymethyl)propane-1,3-diol","2-[(2-amino-4-nitrophenyl)amino]-2-(hydroxymethyl)propane-1,3-diol",Nc1cc(ccc1NC(CO)(CO)CO)[N+](=O)[O-],Nc1cc(ccc1NC(CO)(CO)CO)[N+](=O)[O-],"InChI=1/C10H15N3O5/c11-8-3-7(13(17)18)1-2-9(8)12-10(4-14,5-15)6-16/h1-3,12,14-16H,4-6,11H2",C10H15N3O5,,,,,,PQJDXVDLMFCBQD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.939,260-452-1,56933-61-0,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-hexanoate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate",CCCCCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCCCCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C28H39FO6/c1-5-6-7-8-24(33)35-16-23(32)28(34)17(2)13-21-20-10-9-18-14-19(30)11-12-25(18,3)27(20,29)22(31)15-26(21,28)4/h11-12,14,17,20-22,31,34H,5-10,13,15-16H2,1-4H3",C28H39FO6,,,,,,KZMKFAJYVZNKJS-DGAWKMIRSA-N,,,,,,,,,,,
100.036.596,240-273-5,16106-44-8,Potassium toluene-4-sulphonate,potassium 4-methylbenzenesulfonate,[K+].Cc1ccc(cc1)S(=O)(=O)[O-],[K+].Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.K/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",C7H8O3S.K,,,,,,GHKGUEZUGFJUEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.598,240-275-6,16108-98-8,"N,N'-(methylenedi-4,1-phenylene)bis(stearamide)","N,N'-(methylenedi-4,1-phenylene)dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc2)cc1,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc2)cc1,"InChI=1/C49H82N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-48(52)50-46-39-35-44(36-40-46)43-45-37-41-47(42-38-45)51-49(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42H,3-34,43H2,1-2H3,(H,50,52)(H,51,53)",C49H82N2O2,,,,,,ALQJVDUHVONSKS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.611,240-289-2,16127-59-6,Calcium (R)-2-hydroxypropionate,calcium bis(2-hydroxypropanoate),[Ca+2].C[C@@H](O)C(=O)[O-].C[C@@H](O)C(=O)[O-],[Ca+2].C[C@@H](O)C(=O)[O-].C[C@@H](O)C(=O)[O-],"InChI=1/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C3H6O3.1/2Ca,,,,,,MKJXYGKVIBWPFZ-JCWNAWFTSA-L,,,,,,,,,,,
100.036.617,240-296-0,16143-15-0,"2-[4-(2-[1,1'-biphenyl]-4-ylvinyl)phenyl]benzoxazole","2-[4-(2-biphenyl-4-ylvinyl)phenyl]-1,3-benzoxazole",o1c(nc2ccccc12)c3ccc(\\C=C\\c4ccc(cc4)c5ccccc5)cc3,o1c(nc2ccccc12)c3ccc(\C=C\c4ccc(cc4)c5ccccc5)cc3,InChI=1/C27H19NO/c1-2-6-22(7-3-1)23-16-12-20(13-17-23)10-11-21-14-18-24(19-15-21)27-28-25-8-4-5-9-26(25)29-27/h1-19H,C27H19NO,,,,,,WTYIOUUBRHRFOP-ZHACJKMWSA-N,,,,,,,,,,,
100.036.622,240-301-6,16148-06-4,"1,3-dihydro-1-[1-benzyl-4-piperidinyl]-2H-benzimidazol-2-one","1-(1-benzylpiperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one",O=C1Nc2ccccc2N1C3CCN(Cc4ccccc4)CC3,O=C1Nc2ccccc2N1C3CCN(Cc4ccccc4)CC3,"InChI=1/C19H21N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,20,23)",C19H21N3O,,,,,,WMPRRSYNQDCNCE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.786,241-581-2,17609-48-2,Ethyl (R)-(amino)phenylacetate hydrochloride,ethyl amino(phenyl)acetate hydrochloride,Cl.CCOC(=O)[C@H](N)c1ccccc1,Cl.CCOC(=O)[C@H](N)c1ccccc1,"InChI=1/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H",C10H13NO2.ClH,,,,,,FNNXQLSKQSVNLL-SBSPUUFOSA-N,,,,,,,,,,,
100.037.795,241-591-7,17617-23-1,Flurazepam,"7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,"InChI=1/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3",C21H23ClFN3O,,,,,,SAADBVWGJQAEFS-UHFFFAOYSA-N,Positive,AU163101|AU163102|AU163103|AU163104|AU163105,[M+H]+,CID10|CID20|CID30|CID40|CID50,388.1612:390.1584:389.164|315.0717:388.1615:317.0846|315.072:317.0699:316.0749|315.072:317.0694:316.0751|315.0723:225.0963:287.0533,Athens_Univ,,,,,
100.037.805,241-603-0,17625-83-1,4'-aminobenzanilide,N-(4-aminophenyl)benzamide,Nc1ccc(NC(=O)c2ccccc2)cc1,Nc1ccc(NC(=O)c2ccccc2)cc1,"InChI=1/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)",C13H12N2O,,,,,,GTTFJYUWPUKXJH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.808,241-606-7,17626-75-4,2-propylthiazole,"2-propyl-1,3-thiazole",CCCc1nccs1,CCCc1nccs1,"InChI=1/C6H9NS/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3",C6H9NS,,,,,,CMOIEFFAOUQJPS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.809,241-607-2,17627-10-0,"N,N'-dipalmitoyl-L-cystine","N,N'-dipalmitoyl-L-cystine",CCCCCCCCCCCCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)O)C(=O)O,CCCCCCCCCCCCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(=O)O)C(=O)O,"InChI=1/C38H72N2O6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(41)39-33(37(43)44)31-47-48-32-34(38(45)46)40-36(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,39,41)(H,40,42)(H,43,44)(H,45,46)",C38H72N2O6S2,,,,,,JIUGOZSZLYKDDH-HEVIKAOCSA-N,,,,,,,,,,,
100.037.813,241-611-4,17627-76-8,"(Z)-5-(propen-1-yl)-1,3-benzodioxole","5-prop-1-en-1-yl-1,3-benzodioxole",C\\C=C/c1ccc2OCOc2c1,C\C=C/c1ccc2OCOc2c1,"InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3",C10H10O2,,,,,,VHVOLFRBFDOUSH-IHWYPQMZSA-N,,,,,,,,,,,
100.035.062,238-585-1,14548-45-9,4-bromophenyl 3-pyridyl ketone,(4-bromophenyl)(pyridin-3-yl)methanone,Brc1ccc(cc1)C(=O)c2cccnc2,Brc1ccc(cc1)C(=O)c2cccnc2,InChI=1/C12H8BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H,C12H8BrNO,,,,,,IDGVUIHZWDVXOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.065,238-588-8,14548-60-8,(benzyloxy)methanol,(benzyloxy)methanol,OCOCc1ccccc1,OCOCc1ccccc1,"InChI=1/C8H10O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",C8H10O2,,,,,,PETXWIMJICIQTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.068,238-591-4,14548-72-2,"1,1'-(cyclohexylimino)bispropan-2-ol","1,1'-(cyclohexylimino)dipropan-2-ol",CC(O)CN(CC(C)O)C1CCCCC1,CC(O)CN(CC(C)O)C1CCCCC1,"InChI=1/C12H25NO2/c1-10(14)8-13(9-11(2)15)12-6-4-3-5-7-12/h10-12,14-15H,3-9H2,1-2H3",C12H25NO2,,,,,,QMEZIAQDVYFSDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.069,238-593-5,14548-84-6,Ammonium docosanoate,ammonium docosanoate,[NH4+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C22H44O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);1H3",C22H44O2.H3N,,,,,,VCGNYVLXYFKXCS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.072,238-596-1,14550-87-9,Nickel dibromate,nickel(2+) dibromate,[Ni+2].[O-]Br(=O)=O.[O-]Br(=O)=O,[Ni+2].[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/2BrHO3.Ni/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",BrHO3.1/2Ni,,,,,,XCCVZTSVSXTDDO-UHFFFAOYSA-L,,,,,,,,,,,
100.035.079,238-603-8,14559-79-6,"6-(2-dimethylaminopropyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine-5-one hydrochloride","6-[2-(dimethylamino)propyl]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one hydrochloride",Cl.CC(CN1C(=O)c2cccnc2Nc3ccccc13)N(C)C,Cl.CC(CN1C(=O)c2cccnc2Nc3ccccc13)N(C)C,"InChI=1/C17H20N4O.ClH/c1-12(20(2)3)11-21-15-9-5-4-8-14(15)19-16-13(17(21)22)7-6-10-18-16;/h4-10,12H,11H2,1-3H3,(H,18,19);1H",C17H20N4O.ClH,,,,,,DNZVNKSQOUOBOY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.089,238-614-8,14575-01-0,"Methyl 3-bromo-5-methyltricyclo[3.3.1.13,7]decane-1-carboxylate",methyl 3-bromo-5-methyladamantane-1-carboxylate,COC(=O)C12CC3CC(C)(CC(Br)(C3)C1)C2,COC(=O)C12CC3CC(C)(CC(Br)(C3)C1)C2,"InChI=1/C13H19BrO2/c1-11-3-9-4-12(6-11,10(15)16-2)8-13(14,5-9)7-11/h9H,3-8H2,1-2H3",C13H19BrO2,,,,,,YWJNXVRXYMATJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.091,238-616-9,14575-84-9,Ammonium D-5-bromo-6-oxo-9-bornanesulphonate,"ammonium (3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)methanesulfonate",[NH4+].CC1(CS(=O)(=O)[O-])C2CCC1(C)C(=O)C2Br,[NH4+].CC1(CS(=O)(=O)[O-])C2CCC1(C)C(=O)C2Br,"InChI=1/C10H15BrO4S.H3N/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3",C10H15BrO4S.H3N,,,,,,GFBVBBRNPGPROZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.092,238-617-4,14575-92-9,"[1S-(1a,2a,4a,6a)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane","2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane",CC1(C)C2CC3OC3(C)C1C2,CC1(C)C2CC3OC3(C)C1C2,"InChI=1/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,NQFUSWIGRKFAHK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.094,238-620-0,14576-08-0,4-(1-methoxy-1-methylethyl)-1-methylcyclohexene,4-(1-methoxy-1-methylethyl)-1-methylcyclohexene,COC(C)(C)C1CCC(=CC1)C,COC(C)(C)C1CCC(=CC1)C,"InChI=1/C11H20O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5,10H,6-8H2,1-4H3",C11H20O,,,,,,YWJHQHJWHJRTAB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.371,260-927-3,57751-98-1,"4,4'-(2-furylmethylene)bis[N,N-dimethylaniline]","4,4'-(2-furylmethylene)bis(N,N-dimethylaniline)",CN(C)c1ccc(cc1)C(c2occc2)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)C(c2occc2)c3ccc(cc3)N(C)C,"InChI=1/C21H24N2O/c1-22(2)18-11-7-16(8-12-18)21(20-6-5-15-24-20)17-9-13-19(14-10-17)23(3)4/h5-15,21H,1-4H3",C21H24N2O,,,,,,RFNXXUAWWBQHAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.374,260-931-5,57757-57-0,Disuccinimido dithiobispropionate,"1,1'-{disulfanediylbis[(1-oxopropane-3,1-diyl)oxy]}dipyrrolidine-2,5-dione",O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON2C(=O)CCC2=O,O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON2C(=O)CCC2=O,InChI=1/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2,C14H16N2O8S2,,,,,,FXYPGCIGRDZWNR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.001,262-721-9,61339-41-1,"17-bromo-9ß,11ß-epoxy-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","17-bromo-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(Br)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(Br)C(=O)COC(=O)C,"InChI=1/C24H29BrO5/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,25)19(28)12-29-14(2)26/h7-8,10,13,17-18,20H,5-6,9,11-12H2,1-4H3",C24H29BrO5,,,,,,PYWORDXOTRDYQA-WMHQAVGRSA-N,,,,,,,,,,,
100.057.013,262-735-5,61364-37-2,"(R)-1,2,3,4,10,14b-hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepine","2-methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine",CN1CCN2[C@@H](C1)c3ccccc3Cc4cccnc24,CN1CCN2[C@@H](C1)c3ccccc3Cc4cccnc24,"InChI=1/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3",C17H19N3,,,,,,RONZAEMNMFQXRA-INIZCTEOSA-N,,,,,,,,,,,
100.057.019,262-741-8,61379-38-2,"2-hydroxyethyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate","2-hydroxyethyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate",CN1C(=O)N(C)c2ncn(CC(=O)OCCO)c2C1=O,CN1C(=O)N(C)c2ncn(CC(=O)OCCO)c2C1=O,"InChI=1/C11H14N4O5/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-7(17)20-4-3-16/h6,16H,3-5H2,1-2H3",C11H14N4O5,,,,,,BSHFGYOWIYPMDN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.887,264-795-8,64346-28-7,"4,4'-diamino-2''-chloro-3,3'-dimethyltrityl alcohol",bis(4-amino-3-methylphenyl)(2-chlorophenyl)methanol,Cc1cc(ccc1N)C(O)(c2ccc(N)c(C)c2)c3ccccc3Cl,Cc1cc(ccc1N)C(O)(c2ccc(N)c(C)c2)c3ccccc3Cl,"InChI=1/C21H21ClN2O/c1-13-11-15(7-9-19(13)23)21(25,17-5-3-4-6-18(17)22)16-8-10-20(24)14(2)12-16/h3-12,25H,23-24H2,1-2H3",C21H21ClN2O,,,,,,ONGDAVRPAVGLAL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.894,264-804-5,64346-51-6,"Decyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)","decyl dihydrogen phosphate - 2,2'-iminodiethanol (1:2)",CCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO,CCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO,"InChI=1/C10H23O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;2*6-3-1-5-2-4-7/h2-10H2,1H3,(H2,11,12,13);2*5-7H,1-4H2",C10H23O4P.2C4H11NO2,,,,,,JACBLUSHLADVLF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.899,264-809-2,64346-61-8,[2-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]diethylmethyl chloride,N-(3-chloro-3-ethylpentyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylaniline,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CCC(Cl)(CC)CC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CCC(Cl)(CC)CC)[N+]([O-])=O,"InChI=1/C22H28Cl2N4O2/c1-5-22(24,6-2)12-13-27(7-3)17-8-10-20(16(4)14-17)25-26-21-11-9-18(28(29)30)15-19(21)23/h8-11,14-15H,5-7,12-13H2,1-4H3",C22H31ClN5O2.Cl,,,,,,CBRFFWMEBAJTJO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.903,264-813-4,64346-71-0,"1,4-bis[(3-chlorophenyl)amino]anthraquinone","1,4-bis[(3-chlorophenyl)amino]-9,10-anthraquinone",Clc1cccc(Nc2ccc(Nc3cccc(Cl)c3)c4C(=O)c5ccccc5C(=O)c24)c1,Clc1cccc(Nc2ccc(Nc3cccc(Cl)c3)c4C(=O)c5ccccc5C(=O)c24)c1,"InChI=1/C26H16Cl2N2O2/c27-15-5-3-7-17(13-15)29-21-11-12-22(30-18-8-4-6-16(28)14-18)24-23(21)25(31)19-9-1-2-10-20(19)26(24)32/h1-14,29-30H",C26H16Cl2N2O2,,,,,,UHYDAQBNVKNRJR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.905,264-816-0,64346-90-3,"N-(2-aminoethyl)-2-[1-[difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulphonamide","N-(2-aminoethyl)-2-(1-{difluoro[(trifluorovinyl)oxy]methyl}-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonamide",NCCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=C(F)F)F,NCCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=C(F)F)F,"InChI=1/C9H7F13N2O4S/c10-3(11)4(12)27-7(17,18)5(13,6(14,15)16)28-8(19,20)9(21,22)29(25,26)24-2-1-23/h24H,1-2,23H2",C9H7F13N2O4S,,,,,,OFGMYVUFKMFVRX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.908,264-819-7,64346-97-0,"1,1'-[iminobis(ethyleneiminoethylene)]bis[3-(octatriacontenyl)pyrrolidine-2,5-dione]","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis(3-octatriacont-1-en-1-ylpyrrolidine-2,5-dione)",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C92H175N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-87-85-89(98)96(91(87)100)83-81-94-79-77-93-78-80-95-82-84-97-90(99)86-88(92(97)101)76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h73-76,87-88,93-95H,3-72,77-86H2,1-2H3",C92H175N5O4,,,,,,XUGWBWYRBSPNOV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.724,233-809-4,10368-25-9,"N,N'-bis(phenylmethyl)benzene-1,4-diamine","N,N'-dibenzylbenzene-1,4-diamine",C(Nc1ccc(NCc2ccccc2)cc1)c3ccccc3,C(Nc1ccc(NCc2ccccc2)cc1)c3ccccc3,"InChI=1/C20H20N2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14,21-22H,15-16H2",C20H20N2,,,,,,TWWSZCBSGNBEKE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.725,233-811-5,10369-82-1,2-(diethylamino)ethyl acetate,2-(diethylamino)ethyl acetate,CCN(CC)CCOC(=O)C,CCN(CC)CCOC(=O)C,"InChI=1/C8H17NO2/c1-4-9(5-2)6-7-11-8(3)10/h4-7H2,1-3H3",C8H17NO2,,,,,,IDIFJUBLWASPDU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.732,233-818-3,10377-37-4,"Carbonic acid, lithium salt",lithium hydrogen carbonate,[Li+].OC(=O)[O-],[Li+].OC(=O)[O-],"InChI=1/CH2O3.Li/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",CH2O3.xLi,,,,,,HQRPHMAXFVUBJX-UHFFFAOYSA-M,,,,,,,,,,,
100.030.743,233-830-9,10377-95-4,2-[bis(2-hydroxyethyl)amino]ethyl salicylate,2-[bis(2-hydroxyethyl)amino]ethyl salicylate,OCCN(CCO)CCOC(=O)c1ccccc1O,OCCN(CCO)CCOC(=O)c1ccccc1O,"InChI=1/C13H19NO5/c15-8-5-14(6-9-16)7-10-19-13(18)11-3-1-2-4-12(11)17/h1-4,15-17H,5-10H2",C13H19NO5,,,,,,NAFDCRMGWKHMJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.746,233-834-0,10378-14-0,Ethylmethyldi(octadecyl)ammonium ethyl sulphate,N-ethyl-N-methyl-N-octadecyloctadecan-1-aminium ethyl sulfate,CCCCCCCCCCCCCCCCCC[N+](C)(CC)CCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(CC)CCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C39H82N.C2H6O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40(4,7-3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-2-6-7(3,4)5/h5-39H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C39H82N.C2H5O4S,,,,,,ZTFPMLHJBJMKPX-UHFFFAOYSA-M,,,,,,,,,,,
100.030.748,233-836-1,10378-82-2,"1-(3,4-epoxy-4-methylhexyl)-1-methylallyl acetate",1-[2-(3-ethyl-3-methyloxiran-2-yl)ethyl]-1-methylprop-2-en-1-yl acetate,CCC1(C)OC1CCC(C)(OC(=O)C)C=C,CCC1(C)OC1CCC(C)(OC(=O)C)C=C,"InChI=1/C13H22O3/c1-6-12(4,15-10(3)14)9-8-11-13(5,7-2)16-11/h6,11H,1,7-9H2,2-5H3",C13H22O3,,,,,,ZQIIAKHOIHRGSM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.870,241-674-8,17687-74-0,Tricyclohexylmethanol,tricyclohexylmethanol,OC(C1CCCCC1)(C2CCCCC2)C3CCCCC3,OC(C1CCCCC1)(C2CCCCC2)C3CCCCC3,"InChI=1/C19H34O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18,20H,1-15H2",C19H34O,,,,,,MRGVKQSSSOCONZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.872,241-676-9,17689-42-8,2-hydroxyethyl hydrogen phthalate,2-[(2-hydroxyethoxy)carbonyl]benzoic acid,OCCOC(=O)c1ccccc1C(=O)O,OCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C10H10O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)",C10H10O5,,,,,,NTINFTOOVNKGIU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.250,236-590-3,13445-75-5,1-(1-phenylpentyl) hydrogen camphorate,"2,2,3-trimethyl-3-{[(1-phenylpentyl)oxy]carbonyl}cyclopentanecarboxylic acid",CCCCC(OC(=O)C1(C)CCC(C(=O)O)C1(C)C)c2ccccc2,CCCCC(OC(=O)C1(C)CCC(C(=O)O)C1(C)C)c2ccccc2,"InChI=1/C21H30O4/c1-5-6-12-17(15-10-8-7-9-11-15)25-19(24)21(4)14-13-16(18(22)23)20(21,2)3/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,22,23)",C21H30O4,,,,,,PZYBFENHRQSYMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.252,236-592-4,13446-09-8,Ammonium iodate,ammonium iodate,[NH4+].[O-]I(=O)=O,[NH4+].[O-]I(=O)=O,"InChI=1/HIO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3",H3N.HIO3,,,,,,ZRDJERPXCFOFCP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.257,236-598-7,13446-48-5,Ammonium nitrite,ammonium nitrite,[NH4+].[O-]N=O,[NH4+].[O-]N=O,"InChI=1/HNO2.H3N/c2-1-3;/h(H,2,3);1H3",H3N.HNO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1667,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.257,CAMXVZOXBADHNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.265,236-606-9,13450-37-8,2-(3-chlorobenzoyl)benzoic acid,2-(3-chlorobenzoyl)benzoic acid,OC(=O)c1ccccc1C(=O)c2cccc(Cl)c2,OC(=O)c1ccccc1C(=O)c2cccc(Cl)c2,"InChI=1/C14H9ClO3/c15-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)14(17)18/h1-8H,(H,17,18)",C14H9ClO3,,,,,,FSMXJLAATHSRCB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.273,236-615-8,13450-99-2,Strontium hydrogen phosphate,strontium hydrogen phosphate,[Sr+2].[O-]P(=O)([O-])[O-],[Sr+2].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Sr/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+2/p-3",H3O4P.Sr,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12054,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.273,HKSVWJWYDJQNEV-UHFFFAOYSA-K,,,,,,,,,,,
100.033.274,236-616-3,13451-00-8,Strontium silicate(1:1),strontium oxosilanediolate,[SrH2].[O-][Si](=O)[O-],[SrH2].[O-][Si](=O)[O-],InChI=1/O3Si.Sr.2H/c1-4(2)3;;;/q-2;+2;;/rO3Si.H2Sr/c1-4(2)3;/h;1H2/q-2;+2,H2O3Si.Sr,,,,,,XNDVELRAIWLGJD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.276,236-618-4,13451-11-1,Tantalum pentabromide,-,[Br-].[Br-].[Br-].[Br-].[Br-].[Ta+2],[Br-].[Br-].[Br-].[Br-].[Br-].[Ta+2],InChI=1/5BrH.Ta/h5*1H;/q;;;;;+2/p-5,Br5Ta,,,,,,NSFYLJKXERSSAQ-UHFFFAOYSA-I,,,,,,,,,,,
100.036.623,240-302-1,16150-44-0,"1,1'-[(2-hydroxypropane-1,3-diyl)bis[oxy(6-hydroxy-2,1-phenylene)]]bisethan-1-one","1,1'-{(2-hydroxypropane-1,3-diyl)bis[oxy(6-hydroxy-2,1-phenylene)]}diethanone",CC(=O)c1c(O)cccc1OCC(O)COc2cccc(O)c2C(=O)C,CC(=O)c1c(O)cccc1OCC(O)COc2cccc(O)c2C(=O)C,"InChI=1/C19H20O7/c1-11(20)18-14(23)5-3-7-16(18)25-9-13(22)10-26-17-8-4-6-15(24)19(17)12(2)21/h3-8,13,22-24H,9-10H2,1-2H3",C19H20O7,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18259,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.623,RUOPAUDVYRHXDB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.133,241-962-3,18051-88-2,Dichlorodecylmethylsilane,dichloro(decyl)methylsilane,CCCCCCCCCC[Si](C)(Cl)Cl,CCCCCCCCCC[Si](C)(Cl)Cl,"InChI=1/C11H24Cl2Si/c1-3-4-5-6-7-8-9-10-11-14(2,12)13/h3-11H2,1-2H3",C11H24Cl2Si,,,,,,UFVFNJHZBMHRCO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.135,241-964-4,18053-31-1,Fominoben,N-(3-chloro-2-{[methyl(2-morpholin-4-yl-2-oxoethyl)amino]methyl}phenyl)benzamide,CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3,CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3,"InChI=1/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)",C21H24ClN3O3,,,,,,KSNNEUZOAFRTDS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.136,241-966-5,18053-32-2,N-[3-chloro-2-[[methyl[2-morpholino-2-oxoethyl]amino]methyl]phenyl]benzamide hydrochloride,N-(3-chloro-2-{[methyl(2-morpholin-4-yl-2-oxoethyl)amino]methyl}phenyl)benzamide hydrochloride,Cl.CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3,Cl.CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3,"InChI=1/C21H24ClN3O3.ClH/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16;/h2-9H,10-15H2,1H3,(H,23,27);1H",C21H24ClN3O3.xClH,,,,,,ZAOHKACVOFGZOI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.624,233-700-1,10318-62-4,Cytidylyl(5'<U+2192>2')adenosine,-,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(CO)OC3n4cnc5ncnc(N)c45)C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(CO)OC3n4cnc5ncnc(N)c45)C(O)C2O,"InChI=1/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-28)36-18(14)27-6-24-16-10(27)15(21)22-5-23-16/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)",C19H25N8O11P,,,,,,CGVNMMGNWINOGL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.878,233-980-5,10479-68-2,cis-octahydro-1H-isoindol-1-one,octahydro-1H-isoindol-1-one,O=C1NC[C@@H]2CCCC[C@H]12,O=C1NC[C@@H]2CCCC[C@H]12,"InChI=1/C8H13NO/c10-8-7-4-2-1-3-6(7)5-9-8/h6-7H,1-5H2,(H,9,10)",C8H13NO,,,,,,JKYNCKNIVHDOKU-BQBZGAKWSA-N,,,,,,,,,,,
100.030.879,233-981-0,10482-42-5,Trisodium 5-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-8-[[4-(phenylazo)-6-sulphonatonaphthyl]azo]naphthalene-2-sulphonate,trisodium 6-amino-4-hydroxy-3-[(4-{[4-(phenyldiazenyl)-6-sulfonato-1-naphthyl]diazenyl}-6-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccccc2)ccc7N=Nc6ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccccc2)ccc7N=Nc6ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,"InChI=1/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-31-13-15-33(29-19-24(55(48,49)50)9-11-26(29)31)41-40-30-12-14-32(39-38-22-4-2-1-3-5-22)28-18-23(54(45,46)47)8-10-25(28)30;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C36H25N7O10S3.3Na,,,,,,PIQVJYULRMZYIJ-UHFFFAOYSA-K,,,,,,,,,,,
100.030.886,233-988-9,10482-77-6,Citronellyl benzoate,"3,7-dimethyloct-6-en-1-yl benzoate",CC(CCOC(=O)c1ccccc1)CCC=C(C)C,CC(CCOC(=O)c1ccccc1)CCC=C(C)C,"InChI=1/C17H24O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3",C17H24O2,,,,,,UDPCCAUIDDVTEL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.887,233-989-4,10482-79-8,Citronellyl cinnamate,"3,7-dimethyloct-6-en-1-yl 3-phenylacrylate",CC(CCOC(=O)C=Cc1ccccc1)CCC=C(C)C,CC(CCOC(=O)C=Cc1ccccc1)CCC=C(C)C,"InChI=1/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-13,17H,7,9,14-15H2,1-3H3",C19H26O2,,,,,,KMXKQELDKDGFRN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.889,233-992-0,10484-09-0,Allyl salicylate,allyl salicylate,Oc1ccccc1C(=O)OCC=C,Oc1ccccc1C(=O)OCC=C,"InChI=1/C10H10O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6,11H,1,7H2",C10H10O3,,,,,,YYKBLDCLPBWOOE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.891,233-994-1,10484-23-8,"5,6,7,8-tetrahydronaphthalene-1-acetaldehyde","5,6,7,8-tetrahydronaphthalen-1-ylacetaldehyde",O=CCc1cccc2CCCCc12,O=CCc1cccc2CCCCc12,"InChI=1/C12H14O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h3,5-6,9H,1-2,4,7-8H2",C12H14O,,,,,,CIHPERNEECLJMM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.894,233-997-8,10484-48-7,4-(benzoyldioxy)-4-oxobutyric acid,4-(benzoylperoxy)-4-oxobutanoic acid,OC(=O)CCC(=O)OOC(=O)c1ccccc1,OC(=O)CCC(=O)OOC(=O)c1ccccc1,"InChI=1/C11H10O6/c12-9(13)6-7-10(14)16-17-11(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)",C11H10O6,,,,,,QUZPSMZNTIBYAS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.897,234-000-9,10486-08-5,Sodium toluene-p-thiolate,sodium 4-methylbenzenethiolate,[Na+].Cc1ccc([S-])cc1,[Na+].Cc1ccc([S-])cc1,"InChI=1/C7H8S.Na/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;/q;+1/p-1",C7H8S.Na,,,,,,PRORQUQEDGGDQO-UHFFFAOYSA-M,,,,,,,,,,,
100.030.899,234-003-5,10486-14-3,"(S)-3,7-dimethyloct-7-enyl phenylacetate","3,7-dimethyloct-7-en-1-yl phenylacetate",C[C@@H](CCCC(=C)C)CCOC(=O)Cc1ccccc1,C[C@@H](CCCC(=C)C)CCOC(=O)Cc1ccccc1,"InChI=1/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3",C18H26O2,,,,,,SKZDJVXLRPCFQC-INIZCTEOSA-N,,,,,,,,,,,
100.034.682,238-167-9,14276-80-3,2-ethyloctadecanoic acid,2-ethyloctadecanoic acid,CCCCCCCCCCCCCCCCC(CC)C(=O)O,CCCCCCCCCCCCCCCCC(CC)C(=O)O,"InChI=1/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)",C20H40O2,,,,,,OHIOERKSFVRABL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.686,238-172-6,14280-53-6,Indium bromide,indium tribromide,[Br-].[Br-].[Br-].[In+3],[Br-].[Br-].[Br-].[In+3],InChI=1/3BrH.In/h3*1H;/q;;;+3/p-3,BrIn,,,,,,JKNHZOAONLKYQL-UHFFFAOYSA-K,,,,,,,,,,,
100.034.687,238-173-1,14281-83-5,"Bis(glycinato-N,O)zinc",zinc bis(aminoacetate),NCC(=O)O[Zn]OC(=O)CN,NCC(=O)O[Zn]OC(=O)CN,"InChI=1/2C2H5NO2.Zn/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",C4H8N2O4Zn,,,,,,UOXSXMSTSYWNMH-UHFFFAOYSA-L,,,,,,,,,,,
100.034.692,238-178-9,14283-07-9,"Lithium tetrafluoroborate, anhydrous",lithium tetrafluoroborate,[Li+].F[B-](F)(F)F,[Li+].F[B-](F)(F)F,"InChI=1/BF4.Li/c2-1(3,4)5;/q-1;+1",BF4.Li,,,,,,UFXJWFBILHTTET-UHFFFAOYSA-N,,,,,,,,,,,
100.034.719,238-208-0,14287-61-7,"2,3-dimethylbutyric acid","2,3-dimethylbutanoic acid",CC(C)C(C)C(=O)O,CC(C)C(C)C(=O)O,"InChI=1/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)",C6H12O2,,,,,,XFOASZQZPWEJAA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.722,238-211-7,14289-24-8,5-nitrothiophen-2-ylmethylene diacetate,(5-nitro-2-thienyl)methylene diacetate,CC(=O)OC(OC(=O)C)c1ccc(s1)[N+](=O)[O-],CC(=O)OC(OC(=O)C)c1ccc(s1)[N+](=O)[O-],"InChI=1/C9H9NO6S/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3",C9H9NO6S,,,,,,QYESFCLSVSNRTN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.663,233-743-6,10342-59-3,1-nitro-4-propylbenzene,1-nitro-4-propylbenzene,CCCc1ccc(cc1)[N+](=O)[O-],CCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H11NO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3",C9H11NO2,,,,,,SXQBFCVVZIYXHV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.666,233-746-2,10342-85-5,1-[4-(piperidin-1-yl)phenyl]ethan-1-one,1-(4-piperidin-1-ylphenyl)ethanone,CC(=O)c1ccc(cc1)N2CCCCC2,CC(=O)c1ccc(cc1)N2CCCCC2,"InChI=1/C13H17NO/c1-11(15)12-5-7-13(8-6-12)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3",C13H17NO,,,,,,JCMZZYSPSGHBNM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.681,233-763-5,10350-06-8,"6,13-dihydrodibenzo[b,i]phenazine","6,13-dihydrodibenzo[b,i]phenazine",N1c2cc3ccccc3cc2Nc4cc5ccccc5cc14,N1c2cc3ccccc3cc2Nc4cc5ccccc5cc14,"InChI=1/C20H14N2/c1-2-6-14-10-18-17(9-13(14)5-1)21-19-11-15-7-3-4-8-16(15)12-20(19)22-18/h1-12,21-22H",C20H14N2,,,,,,WEZBHKGNUIINBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.685,233-767-7,10352-28-0,N-(2-benzoyl-4-chlorophenyl)formamide,N-(2-benzoyl-4-chlorophenyl)formamide,Clc1ccc(NC=O)c(c1)C(=O)c2ccccc2,Clc1ccc(NC=O)c(c1)C(=O)c2ccccc2,"InChI=1/C14H10ClNO2/c15-11-6-7-13(16-9-17)12(8-11)14(18)10-4-2-1-3-5-10/h1-9H,(H,16,17)",C14H10ClNO2,,,,,,DSPFYCLSZSPMTO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.687,233-769-8,10352-88-2,(E)-hept-2-enoic acid,hept-2-enoic acid,CCCC\\C=C\\C(=O)O,CCCC\C=C\C(=O)O,"InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)",C7H12O2,,,,,,YURNCBVQZBJDAJ-AATRIKPKSA-N,,,,,,,,,,,
100.030.692,233-775-0,10355-53-0,"4-nitro-1,1':4':1'-terphenyl","4-nitro-1,1':4',1''-terphenyl",O=N(=O)c1ccc(cc1)c2ccc(cc2)c3ccccc3,O=N(=O)c1ccc(cc1)c2ccc(cc2)c3ccccc3,InChI=1/C18H13NO2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,C18H13NO2,,,,,,IMMGNSJGTWWGJB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.696,233-779-2,10359-84-9,"4,4'-bis[(4-ethoxyphenyl)azo]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4-ethoxyphenyl)diazenyl]benzenesulfonic acid}",CCOc1ccc(cc1)N=Nc4ccc(/C=C/c3ccc(N=Nc2ccc(OCC)cc2)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O,CCOc1ccc(cc1)N=Nc4ccc(/C=C/c3ccc(N=Nc2ccc(OCC)cc2)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O,"InChI=1/C30H28N4O8S2/c1-3-41-27-15-11-23(12-16-27)31-33-25-9-7-21(29(19-25)43(35,36)37)5-6-22-8-10-26(20-30(22)44(38,39)40)34-32-24-13-17-28(18-14-24)42-4-2/h5-20H,3-4H2,1-2H3,(H,35,36,37)(H,38,39,40)",C30H28N4O8S2,,,,,,AVERNFJXXRIVQN-XSDYUOFFSA-N,,,,,,,,,,,
100.037.822,241-621-9,17637-11-5,Tartaric anhydride dibenzoate,"2,3-bis(benzoyloxy)-4-[(3-carboxy-2,3-dihydroxypropanoyl)oxy]-4-oxobutanoic acid",OC(C(O)C(=O)OC(=O)C(OC(=O)c1ccccc1)C(OC(=O)c2ccccc2)C(=O)O)C(=O)O,OC(C(O)C(=O)OC(=O)C(OC(=O)c1ccccc1)C(OC(=O)c2ccccc2)C(=O)O)C(=O)O,"InChI=1/C22H18O13/c23-13(17(25)26)14(24)21(31)35-22(32)16(34-20(30)12-9-5-2-6-10-12)15(18(27)28)33-19(29)11-7-3-1-4-8-11/h1-10,13-16,23-24H,(H,25,26)(H,27,28)",C18H12O7,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11461,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.822,FDTBDDULZMPWEK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.825,241-625-0,17640-03-8,"Ethyl 2,2-dichloropropionate","ethyl 2,2-dichloropropanoate",CCOC(=O)C(C)(Cl)Cl,CCOC(=O)C(C)(Cl)Cl,"InChI=1/C5H8Cl2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3",C5H8Cl2O2,,,,,,TWJKBMRWJYYYFO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.829,241-629-2,17647-86-8,"Potassium N,N-dimethylglycinate",potassium (dimethylamino)acetate,[K+].CN(C)CC(=O)[O-],[K+].CN(C)CC(=O)[O-],"InChI=1/C4H9NO2.K/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);/q;+1/p-1",C4H9NO2.K,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17465,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.829,WHXRLGMKAWGISQ-UHFFFAOYSA-M,,,,,,,,,,,
100.037.830,241-630-8,17647-93-7,Potassium 3-phenylpyruvate,potassium 2-oxo-3-phenylpropanoate,[K+].[O-]C(=O)C(=O)Cc1ccccc1,[K+].[O-]C(=O)C(=O)Cc1ccccc1,"InChI=1/C9H8O3.K/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);/q;+1/p-1",C9H8O3.K,,,,,,WFKKYCVCTIWUJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.911,264-822-3,64347-03-1,"1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetratetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octatriacontenyl)pyrrolidine-2,5-dione","1-[2-({2-[(2-{[2-(2,5-dioxo-3-tetratetracont-1-en-1-ylpyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]-3-octatriacont-1-en-1-ylpyrrolidine-2,5-dione",O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,O=C2C(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C98H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-43-44-45-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-82-94-92-96(105)103(98(94)107)90-88-101-86-84-99-83-85-100-87-89-102-95(104)91-93(97(102)106)81-79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h79-82,93-94,99-101H,3-78,83-92H2,1-2H3",C98H187N5O4,,,,,,MDMIGSHIEPEKDI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.914,264-826-5,64347-09-7,"1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracosenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(octadecenyl)pyrrolidine-2,5-dione","1-[2-({2-[(2-{[2-(2,5-dioxo-3-tetracos-1-en-1-ylpyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]-3-octadec-1-en-1-ylpyrrolidine-2,5-dione",O=C2CC(C=CCCCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C58H107N5O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-42-54-52-56(65)63(58(54)67)50-48-61-46-44-59-43-45-60-47-49-62-55(64)51-53(57(62)66)41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h39-42,53-54,59-61H,3-38,43-52H2,1-2H3",C58H107N5O4,,,,,,KQSQBDWFRUWWJI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.916,264-828-6,64347-13-3,"1-[2-[[2-[[2-[[2-[3-(docosenyl)-2,5-dioxo-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(icosenyl)pyrrolidine-2,5-dione","3-docos-1-en-1-yl-1-[2-({2-[(2-{[2-(3-icos-1-en-1-yl-2,5-dioxopyrrolidin-1-yl)ethyl]amino}ethyl)amino]ethyl}amino)ethyl]pyrrolidine-2,5-dione",O=C2CC(C=CCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCC)C1=O,O=C2CC(C=CCCCCCCCCCCCCCCCCCCCC)C(=O)N2CCNCCNCCNCCN1C(=O)CC(C=CCCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C58H107N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-54-52-56(65)63(58(54)67)50-48-61-46-44-59-43-45-60-47-49-62-55(64)51-53(57(62)66)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h39-42,53-54,59-61H,3-38,43-52H2,1-2H3",C58H107N5O4,,,,,,OUBQSVNUFDXXQE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.827,268-029-3,67990-06-1,4-[[5-(aminocarbonyl)-2-chlorophenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide,4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthamide,Clc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(N)=O,Clc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(N)=O,"InChI=1/C24H17ClN4O3/c25-19-11-10-15(23(26)31)13-20(19)28-29-21-17-9-5-4-6-14(17)12-18(22(21)30)24(32)27-16-7-2-1-3-8-16/h1-13,30H,(H2,26,31)(H,27,32)",C24H17ClN4O3,,,,,,KNGRMBNMWIOJAB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.828,268-030-9,67990-07-2,3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-N-(2-methoxyphenyl)naphthalene-2-carboxamide,3-hydroxy-4-[(2-methoxy-5-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-2-naphthamide,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)[N+]([O-])=O,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)[N+]([O-])=O,"InChI=1/C25H20N4O6/c1-34-21-10-6-5-9-19(21)26-25(31)18-13-15-7-3-4-8-17(15)23(24(18)30)28-27-20-14-16(29(32)33)11-12-22(20)35-2/h3-14,30H,1-2H3,(H,26,31)",C25H20N4O6,,,,,,FCYFCQMBEXQZBR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.835,268-038-2,67990-15-2,"1-ethyl-3,4-dihydro-5-methyl-2H-pyrrolium perchlorate","1-ethyl-5-methyl-3,4-dihydro-2H-pyrrolium perchlorate",CC[N+]1=C(C)CCC1.[O-]Cl(=O)(=O)=O,CC[N+]1=C(C)CCC1.[O-]Cl(=O)(=O)=O,"InChI=1/C7H14N.ClHO4/c1-3-8-6-4-5-7(8)2;2-1(3,4)5/h3-6H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",C7H14N.ClO4,,,,,,ADUUDJKUUDLKRM-UHFFFAOYSA-M,,,,,,,,,,,
100.061.848,268-052-9,67990-31-2,"(exo,exo)-2-methoxy-4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol","2-methoxy-4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol",COc1cc(ccc1O)C2CC3CC2C(C)C3(C)C,COc1cc(ccc1O)C2CC3CC2C(C)C3(C)C,"InChI=1/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-15(18)16(7-11)19-4/h5-7,10,12-14,18H,8-9H2,1-4H3",C17H24O2,,,,,,NUEKYQUPPRJHFP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.854,268-059-7,67990-37-8,"Calcium 2-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulphonate","calcium 2-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1,5-disulfonate",[Ca+2].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc1c2ccccc2ccc1O)c3S([O-])(=O)=O,[Ca+2].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc1c2ccccc2ccc1O)c3S([O-])(=O)=O,"InChI=1/C20H14N2O7S2.Ca/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2",C20H14N2O7S2.Ca,,,,,,ROLPDLQXTOHSIJ-UHFFFAOYSA-L,,,,,,,,,,,
100.061.857,268-062-3,67998-94-1,Sodium sulphooctadecanoate,sodium 2-sulfooctadecanoate,[Na+].CCCCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)O,[Na+].CCCCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)O,"InChI=1/C18H36O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20)24(21,22)23;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1",C18H36O5S.xNa,,,,,,BCLQYOCJZXWSPR-UHFFFAOYSA-M,,,,,,,,,,,
100.033.278,236-621-0,13453-03-7,"3,5,5-trimethylhexyl methacrylate","3,5,5-trimethylhexyl methacrylate",CC(CCOC(=O)C(=C)C)CC(C)(C)C,CC(CCOC(=O)C(=C)C)CC(C)(C)C,"InChI=1/C13H24O2/c1-10(2)12(14)15-8-7-11(3)9-13(4,5)6/h11H,1,7-9H2,2-6H3",C13H24O2,,,,,,BBPSWYWJFWHIHC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.281,236-624-7,13453-24-2,Gold triiodide,gold triiodide,[I-].[I-].[I-].[Au+].[Au+].[Au+],[I-].[I-].[I-].[Au+].[Au+].[Au+],InChI=1/3Au.3HI/h;;;3*1H/q3*+1;;;/p-3,AuI3,,,,,,BANXQPQHKBVRIK-UHFFFAOYSA-K,,,,,,,,,,,
100.033.291,236-635-7,13453-86-6,Lithium hydrogen sulphate,lithium hydrogen sulfate,[Li+].[O-]S(=O)(=O)[O-],[Li+].[O-]S(=O)(=O)[O-],"InChI=1/Li.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-2",H2O4S.Li,,,,,,HPCCWDVOHHFCKM-UHFFFAOYSA-L,,,,,,,,,,,
100.036.659,240-341-4,16214-98-5,1-benzyl-3-carboxypyridinium chloride,1-benzyl-3-carboxypyridinium chloride,[Cl-].OC(=O)c1ccc[n+](Cc2ccccc2)c1,[Cl-].OC(=O)c1ccc[n+](Cc2ccccc2)c1,"InChI=1/C13H11NO2.ClH/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2;1H",C13H12NO2.Cl,,,,,,VSRWCQJUAYPITR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.660,240-343-5,16215-21-7,Butyl 3-mercaptopropionate,butyl 3-sulfanylpropanoate,CCCCOC(=O)CCS,CCCCOC(=O)CCS,"InChI=1/C7H14O2S/c1-2-3-5-9-7(8)4-6-10/h10H,2-6H2,1H3",C7H14O2S,,,,,,MGFFVSDRCRVHLC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.663,240-346-1,16218-74-9,1-methylquinolinium toluene-p-sulphonate,1-methylquinolinium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2cccc3ccccc23,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2cccc3ccccc23,"InChI=1/C10H10N.C7H8O3S/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C10H10N.C7H7O3S,,,,,,UKQVAKKCHJNWPC-UHFFFAOYSA-M,,,,,,,,,,,
100.036.665,240-348-2,16220-05-6,a-methylphenethyl isothiocyanate,(2-isothiocyanatopropyl)benzene,CC(Cc1ccccc1)N=C=S,CC(Cc1ccccc1)N=C=S,"InChI=1/C10H11NS/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,9H,7H2,1H3",C10H11NS,,,,,,AFKRLUUCCIMVQP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.667,240-350-3,16225-26-6,"3,5-bis(tert-butyl)benzoic acid","3,5-di-tert-butylbenzoic acid",CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)O,CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)O,"InChI=1/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)",C15H22O2,,,,,,NCTSLPBQVXUAHR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.670,240-354-5,16230-35-6,"N,N'-(ethoxymethylsilylene)bis[N-methylbenzamide]","N,N'-[ethoxy(methyl)silanediyl]bis(N-methylbenzamide)",CCO[Si](C)(N(C)C(=O)c1ccccc1)N(C)C(=O)c2ccccc2,CCO[Si](C)(N(C)C(=O)c1ccccc1)N(C)C(=O)c2ccccc2,"InChI=1/C19H24N2O3Si/c1-5-24-25(4,20(2)18(22)16-12-8-6-9-13-16)21(3)19(23)17-14-10-7-11-15-17/h6-15H,5H2,1-4H3",C19H24N2O3Si,,,,,,BLEJWUIEUACHKH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.676,240-360-8,16249-86-8,"2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonic acid","2-[2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid",Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc4nc(ccc4c3)C5C(=O)c6ccccc6C5=O,Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc4nc(ccc4c3)C5C(=O)c6ccccc6C5=O,"InChI=1/C26H16N2O5S2/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30/h2-12,21H,1H3,(H,31,32,33)",C26H16N2O5S2,,,,,,VAKCCPVQFSLMDM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.678,240-362-9,16251-77-7,3-phenylbutyraldehyde,3-phenylbutanal,CC(CC=O)c1ccccc1,CC(CC=O)c1ccccc1,"InChI=1/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3",C10H12O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11838,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.678,MYHGOWDLVRDUFA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.682,240-367-6,16260-09-6,(Z)-N-octadec-9-enylhexadecan-1-amide,N-octadec-9-en-1-ylhexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCC(=O)NCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-35-34(36)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3,(H,35,36)",C34H67NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11368,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.682,VMRGZRVLZQSNHC-ZCXUNETKSA-N,,,,,,,,,,,
100.036.683,240-368-1,16260-26-7,Octyl myristate,octyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCCCCCCC(=O)OCCCCCCCC,"InChI=1/C22H44O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22(23)24-21-19-17-10-8-6-4-2/h3-21H2,1-2H3",C22H44O2,,,,,,QWPNJOHZHSJFIY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.689,240-374-4,16270-76-1,Tripotassium hydrogen diphosphate,tripotassium hydrogen diphosphate,[K+].[K+].[K+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[K+].[K+].[K+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3K.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+1;;/p-6",H4O7P2.3K,,,,,,SPOMEWBVWWDQBC-UHFFFAOYSA-H,,,,,,,,,,,
100.036.700,240-387-5,16298-03-6,Methyl 3-aminopyrazinecarboxylate,methyl 3-aminopyrazine-2-carboxylate,COC(=O)c1nccnc1N,COC(=O)c1nccnc1N,"InChI=1/C6H7N3O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3,(H2,7,9)",C6H7N3O2,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5980,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.700,INCSQLZZXBPATR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.276,239-919-9,15823-35-5,Hydrazinium dihydrogen phosphate,diazanium dihydrogen phosphate,N[NH3+].[O-]P(=O)([O-])[O-],N[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/H4N2.H3O4P/c1-2;1-5(2,3)4/h1-2H2;(H3,1,2,3,4)/p-2",H4N2.H3O4P,,,,,,VFTOLAKHPLTCIF-UHFFFAOYSA-L,,,,,,,,,,,
100.030.901,234-005-6,10486-25-6,"1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl formate","2-isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl formate",CC1CC(OC=O)C=C(C)C2CC(=C(C)C)CC12,CC1CC(OC=O)C=C(C)C2CC(=C(C)C)CC12,"InChI=1/C16H24O2/c1-10(2)13-7-15-11(3)5-14(18-9-17)6-12(4)16(15)8-13/h5,9,12,14-16H,6-8H2,1-4H3",C16H24O2,,,,,,DMDRCZJUQQXMNF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.904,234-008-2,10486-48-3,"4-amino-2,6-xylenol hydrochloride","4-amino-2,6-dimethylphenol",Cc1cc(N)cc(C)c1O,Cc1cc(N)cc(C)c1O,"InChI=1/C8H11NO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,9H2,1-2H3",C8H11NO.ClH,,,,,,OMVFXCQLSCPJNR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.913,234-018-7,10493-43-3,Trifluoro(pentafluoroethoxy)ethylene,"1,1,2-trifluoro-2-(pentafluoroethoxy)ethene",FC(=C(F)OC(F)(F)C(F)(F)F)F,FC(=C(F)OC(F)(F)C(F)(F)F)F,"InChI=1/C4F8O/c5-1(6)2(7)13-4(11,12)3(8,9)10",C4F8O,,,,,,GWTYBAOENKSFAY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.916,234-021-3,10494-75-4,2-methoxyethanethiol,2-methoxyethanethiol,COCCS,COCCS,"InChI=1/C3H8OS/c1-4-2-3-5/h5H,2-3H2,1H3",C3H8OS,,,,,,VHXDADVHQVXSKC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.241,236-580-9,13442-89-2,1-(1-ethoxyethoxy)pentane,1-(1-ethoxyethoxy)pentane,CCCCCOC(C)OCC,CCCCCOC(C)OCC,"InChI=1/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3",C9H20O2,,,,,,QMLYOIJQQWWNKE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.244,236-584-0,13444-24-1,1-ethylpiperidin-3-ol,1-ethylpiperidin-3-ol,CCN1CCCC(O)C1,CCN1CCCC(O)C1,"InChI=1/C7H15NO/c1-2-8-5-3-4-7(9)6-8/h7,9H,2-6H2,1H3",C7H15NO,,,,,,ZNPSUOAGONLMLK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.756,238-248-9,14309-57-0,Non-3-en-2-one,non-3-en-2-one,CCCCCC=CC(C)=O,CCCCCC=CC(C)=O,"InChI=1/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3",C9H16O,,,,,,HDKLIZDXVUCLHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.762,238-255-7,14314-78-4,2-(diethylamino)ethyl methacrylate hydrochloride,2-(diethylamino)ethyl 2-methylacrylate hydrochloride,Cl.CCN(CC)CCOC(=O)C(=C)C,Cl.CCN(CC)CCOC(=O)C(=C)C,"InChI=1/C10H19NO2.ClH/c1-5-11(6-2)7-8-13-10(12)9(3)4;/h3,5-8H2,1-2,4H3;1H",C10H19NO2.ClH,,,,,,QZCJFBBBULPQLS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.763,238-256-2,14315-14-1,5-methylbenzo[b]thiophene,5-methyl-1-benzothiophene,Cc1ccc2sccc2c1,Cc1ccc2sccc2c1,"InChI=1/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3",C9H8S,,,,,,DOHZWDWNQFZIKH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.783,238-278-2,14332-34-4,Nickel hydrogen phosphate,nickel(2+) hydrogen phosphate,[Ni+2].[O-]P(=O)([O-])[O-],[Ni+2].[O-]P(=O)([O-])[O-],"InChI=1/Ni.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-3",H3O4P.Ni,,,,,,OLYKGFYCSAJGKT-UHFFFAOYSA-K,,,,,,,,,,,
100.054.951,260-465-2,56956-21-9,Pent-2-ynyloxirane,2-pent-2-yn-1-yloxirane,CCC#CCC1CO1,CCC#CCC1CO1,"InChI=1/C7H10O/c1-2-3-4-5-7-6-8-7/h7H,2,5-6H2,1H3",C7H10O,,,,,,KJJIVFBKAQJUMY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.952,260-466-8,56960-85-1,Dipotassium hexyl phosphate,dipotassium hexyl phosphate,[K+].[K+].CCCCCCOP(=O)([O-])[O-],[K+].[K+].CCCCCCOP(=O)([O-])[O-],"InChI=1/C6H15O4P.2K/c1-2-3-4-5-6-10-11(7,8)9;;/h2-6H2,1H3,(H2,7,8,9);;/q;2*+1/p-2",C6H15O4P.2K,,,,,,SVQIBPUYKCOPNT-UHFFFAOYSA-L,,,,,,,,,,,
100.054.953,260-467-3,56961-23-0,Trichlorophloroglucinol,"2,4,6-trichlorobenzene-1,3,5-triol",Oc1c(Cl)c(O)c(Cl)c(O)c1Cl,Oc1c(Cl)c(O)c(Cl)c(O)c1Cl,InChI=1/C6H3Cl3O3/c7-1-4(10)2(8)6(12)3(9)5(1)11/h10-12H,C6H3Cl3O3,,,,,,MHKCQYLJFGNSQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.961,260-476-2,56961-77-4,"1-bromo-2,3-dichlorobenzene","1-bromo-2,3-dichlorobenzene",Clc1cccc(Br)c1Cl,Clc1cccc(Br)c1Cl,InChI=1/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3H,C6H3BrCl2,,,,,,HVKCZUVMQPUWSX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.964,260-479-9,56966-48-4,5-chloro-2-(2-chlorophenoxy)aniline,5-chloro-2-(2-chlorophenoxy)aniline,Nc1cc(Cl)ccc1Oc2ccccc2Cl,Nc1cc(Cl)ccc1Oc2ccccc2Cl,"InChI=1/C12H9Cl2NO/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H,15H2",C12H9Cl2NO,,,,,,PHORTNLNXNZNET-UHFFFAOYSA-N,,,,,,,,,,,
100.054.968,260-484-6,56969-22-3,Oxapadol,"1-phenyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole",C1OC2(OC1Cn3c2nc4ccccc34)c5ccccc5,C1OC2(OC1Cn3c2nc4ccccc34)c5ccccc5,"InChI=1/C17H14N2O2/c1-2-6-12(7-3-1)17-16-18-14-8-4-5-9-15(14)19(16)10-13(21-17)11-20-17/h1-9,13H,10-11H2",C17H14N2O2,,,,,,LCXASZQUGJCXBG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.969,260-485-1,56971-22-3,Trimethylenebis(trimethylammonium) dichloride,"N,N,N,N',N',N'-hexamethylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(C)CCC[N+](C)(C)C,[Cl-].[Cl-].C[N+](C)(C)CCC[N+](C)(C)C,"InChI=1/C9H24N2.2ClH/c1-10(2,3)8-7-9-11(4,5)6;;/h7-9H2,1-6H3;2*1H/q+2;;/p-2",C9H24N2.2Cl,,,,,,WYZCAVRJZYMXCG-UHFFFAOYSA-L,,,,,,,,,,,
100.054.971,260-487-2,56974-03-9,"1-(3,5,5-trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one","1-(3,5,5-trimethylcyclohex-1-en-1-yl)pent-4-en-1-one",CC1CC(C)(C)CC(=C1)C(=O)CCC=C,CC1CC(C)(C)CC(=C1)C(=O)CCC=C,"InChI=1/C14H22O/c1-5-6-7-13(15)12-8-11(2)9-14(3,4)10-12/h5,8,11H,1,6-7,9-10H2,2-4H3",C14H22O,,,,,,YSSPNGUMZKBWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.848,241-650-7,17672-53-6,Bis(2-trichloroethyl) chlorophosphonate,"bis(2,2,2-trichloroethyl) chlorophosphate",ClC(Cl)(Cl)COP(=O)(Cl)OCC(Cl)(Cl)Cl,ClC(Cl)(Cl)COP(=O)(Cl)OCC(Cl)(Cl)Cl,"InChI=1/C4H4Cl7O3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2",C4H4Cl7O3P,,,,,,ZHHCWQGVXYGWCW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.849,241-651-2,17673-49-3,Octadecyl oleate,octadecyl octadec-9-enoate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C36H70O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-35H2,1-2H3",C36H70O2,,,,,,WRPMUZXHQKAAIC-ZZEZOPTASA-N,,,,,,,,,,,
100.037.855,241-658-0,17674-34-9,Scandium trihydroxide,scandium trihydroxide,[OH-].[OH-].[OH-].[Sc+3],[OH-].[OH-].[OH-].[Sc+3],InChI=1/3H2O.Sc/h3*1H2;/q;;;+3/p-3,H3O3Sc,,,,,,LQPWUWOODZHKKW-UHFFFAOYSA-K,,,,,,,,,,,
100.037.862,241-665-9,17683-09-9,3-benzyl-1-p-tolyltriazene,3-benzyl-1-(4-methylphenyl)triaz-1-ene,Cc2ccc(N=NNCc1ccccc1)cc2,Cc2ccc(N=NNCc1ccccc1)cc2,"InChI=1/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)",C14H15N3,,,,,,IWCGEJKKDAJKJE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.866,241-670-6,17686-43-0,Decyl cyanoacetate,decyl cyanoacetate,CCCCCCCCCCOC(=O)CC#N,CCCCCCCCCCOC(=O)CC#N,"InChI=1/C13H23NO2/c1-2-3-4-5-6-7-8-9-12-16-13(15)10-11-14/h2-10,12H2,1H3",C13H23NO2,,,,,,FEPOSCQQECTWHH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.867,241-671-1,17687-24-0,"1,2,3,6-tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid","5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid",OC(=O)C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],OC(=O)C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],"InChI=1/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)",C5H3N3O6,,,,,,OPGJGRWULGFTOS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.109,238-636-8,14591-57-2,"Bis(dibutyldithiocarbamato-S,S')cobalt",cobalt(2+) bis(dibutyldithiocarbamate),CCCCN(CCCC)C(=S)S[Co]SC(=S)N(CCCC)CCCC,CCCCN(CCCC)C(=S)S[Co]SC(=S)N(CCCC)CCCC,"InChI=1/2C9H19NS2.Co/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2/rC18H36CoN2S4/c1-5-9-13-20(14-10-6-2)17(22)24-19-25-18(23)21(15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C18H36CoN2S4,,,,,,BDCVQFMEJUHADG-UHFFFAOYSA-L,,,,,,,,,,,
100.035.112,238-639-4,14593-46-5,Sodium 2-methylbutan-2-olate,sodium 2-methylbutan-2-olate,[Na+].CCC(C)(C)[O-],[Na+].CCC(C)(C)[O-],"InChI=1/C5H11O.Na/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1",C5H12O.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10166,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.112,CGRKYEALWSRNJS-UHFFFAOYSA-N,,,,,,,,,,,
100.035.117,238-645-7,14608-27-6,1-amino-5-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]anthraquinone,"1-amino-5-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]-9,10-anthraquinone",Nc1cccc2C(=O)c3c(Nc4ccc5c6ccccc6C(=O)c7cccc4c57)cccc3C(=O)c12,Nc1cccc2C(=O)c3c(Nc4ccc5c6ccccc6C(=O)c7cccc4c57)cccc3C(=O)c12,"InChI=1/C31H18N2O3/c32-23-12-4-10-21-27(23)30(35)22-11-5-13-25(28(22)31(21)36)33-24-15-14-17-16-6-1-2-7-18(16)29(34)20-9-3-8-19(24)26(17)20/h1-15,33H,32H2",C31H18N2O3,,,,,,GOIRGOFDFRJVMG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.631,240-311-0,16169-48-5,"N,N-dibutyl-12-hydroxyoctadecan-1-amide","N,N-dibutyl-12-hydroxyoctadecanamide",CCCCCCC(O)CCCCCCCCCCC(=O)N(CCCC)CCCC,CCCCCCC(O)CCCCCCCCCCC(=O)N(CCCC)CCCC,"InChI=1/C26H53NO2/c1-4-7-10-17-20-25(28)21-18-15-13-11-12-14-16-19-22-26(29)27(23-8-5-2)24-9-6-3/h25,28H,4-24H2,1-3H3",C26H53NO2,,,,,,DZJSNRMJNYRMAG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.651,240-333-0,16203-97-7,"1,8,9-triacetoxyanthracene","anthracene-1,8,9-triyl triacetate",CC(=O)Oc1cccc2cc3cccc(OC(=O)C)c3c(OC(=O)C)c12,CC(=O)Oc1cccc2cc3cccc(OC(=O)C)c3c(OC(=O)C)c12,"InChI=1/C20H16O6/c1-11(21)24-16-8-4-6-14-10-15-7-5-9-17(25-12(2)22)19(15)20(18(14)16)26-13(3)23/h4-10H,1-3H3",C20H16O6,,,,,,IPWOSICBVUXMML-UHFFFAOYSA-N,,,,,,,,,,,
100.036.652,240-334-6,16205-01-9,Silver 5-oxoprolinate,silver(1+) 5-oxopyrrolidine-2-carboxylate,[Ag+].[O-]C(=O)C1CCC(=O)N1,[Ag+].[O-]C(=O)C1CCC(=O)N1,"InChI=1/C5H7NO3.Ag/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.Ag,,,,,,QPHAHIAKNJDHGI-UHFFFAOYSA-M,,,,,,,,,,,
100.036.654,240-336-7,16207-83-3,"Stearic acid, compound with triethylamine (1:1)","octadecanoic acid - N,N-diethylethanamine (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.CCN(CC)CC,CCCCCCCCCCCCCCCCCC(=O)O.CCN(CC)CC,"InChI=1/C18H36O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7(5-2)6-3/h2-17H2,1H3,(H,19,20);4-6H2,1-3H3",C18H36O2.C6H15N,,,,,,ZDTMSMWYJXKBEB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.729,238-219-0,14293-70-0,Dipotassium nitrosodisulphonate,hydroxyimidodisulfuric acid,ON(S(=O)(=O)O)S(=O)(=O)O,ON(S(=O)(=O)O)S(=O)(=O)O,"InChI=1/H3NO7S2/c2-1(9(3,4)5)10(6,7)8/h2H,(H,3,4,5)(H,6,7,8)",H2NO7S2.2K,,,,,,MNWRMTPYEUYRSI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.731,238-221-1,14294-62-3,a-pentylfuran-2-methanol,1-(2-furyl)hexan-1-ol,CCCCCC(O)c1occc1,CCCCCC(O)c1occc1,"InChI=1/C10H16O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-9,11H,2-4,6H2,1H3",C10H16O2,,,,,,DWNAWEKBEBTKDE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.858,268-063-9,67999-30-8,"(1S-endo)-[3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonic acid","(3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid",CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2Br,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2Br,"InChI=1/C10H15BrO4S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6-7H,3-5H2,1-2H3,(H,13,14,15)",C10H15BrO4S,,,,,,XUJHKPSBHDQIOD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.860,268-066-5,67999-56-8,"Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth[1,8a-b]oxirene","4,4,8,8-tetramethyloctahydro-4a,7-methanonaphtho[1,8a-b]oxirene",CC1(C)CCC2OC23C(C)(C)C4CCC13C4,CC1(C)CCC2OC23C(C)(C)C4CCC13C4,"InChI=1/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3",C15H24O,,,,,,VQHLGZRKOZIABH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.343,266-398-5,66543-04-2,N-[[4-[[2-(acetylamino)-4-(diethylamino)phenyl]azo]phenyl]sulphonyl]acetamide,N-[(4-{[2-acetamido-4-(diethylamino)phenyl]diazenyl}phenyl)sulfonyl]acetamide,CC(=O)NS(=O)(=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)cc2,CC(=O)NS(=O)(=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)cc2,"InChI=1/C20H25N5O4S/c1-5-25(6-2)17-9-12-19(20(13-17)21-14(3)26)23-22-16-7-10-18(11-8-16)30(28,29)24-15(4)27/h7-13H,5-6H2,1-4H3,(H,21,26)(H,24,27)",C20H25N5O4S,,,,,,WADCGQGEVMAPLW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.351,266-407-2,66562-61-6,5-ethyl-2-phenylpyridine,5-ethyl-2-phenylpyridine,CCc1ccc(nc1)c2ccccc2,CCc1ccc(nc1)c2ccccc2,"InChI=1/C13H13N/c1-2-11-8-9-13(14-10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3",C13H13N,,,,,,DUPKBYOCVLUKEK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.354,266-410-9,66575-29-9,Colforsin,"6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate",CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C,CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C,"InChI=1/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3",C22H34O7,,,,,,OHCQJHSOBUTRHG-KGGHGJDLSA-N,,,,,,,,,,,
100.060.371,266-429-2,66625-19-2,"Methyl 4-hydroxy-2,6-dimethoxybenzoate","methyl 4-hydroxy-2,6-dimethoxybenzoate",COC(=O)c1c(OC)cc(O)cc1OC,COC(=O)c1c(OC)cc(O)cc1OC,"InChI=1/C10H12O5/c1-13-7-4-6(11)5-8(14-2)9(7)10(12)15-3/h4-5,11H,1-3H3",C10H12O5,,,,,,LBECAGNUOFSIKD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.025,262-748-6,61380-27-6,4-(methoxycarbonyl)-1-phenethyl-4-(N-phenylpropionylamino)piperidinium dihydrogen citrate,dihydrogen 4-(methoxycarbonyl)-1-(2-phenylethyl)-4-[(2-phenylpropanoyl)amino]piperidinium citrate,COC(=O)C1(CC[NH+](CCc2ccccc2)CC1)NC(=O)C(C)c3ccccc3.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],COC(=O)C1(CC[NH+](CCc2ccccc2)CC1)NC(=O)C(C)c3ccccc3.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C24H30N2O3.C6H8O7/c1-19(21-11-7-4-8-12-21)22(27)25-24(23(28)29-2)14-17-26(18-15-24)16-13-20-9-5-3-6-10-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,19H,13-18H2,1-2H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C24H30N2O3.C6H8O7,,,,,,KRDCVSCBLNSYGA-UHFFFAOYSA-L,,,,,,,,,,,
100.057.028,262-751-2,61381-00-8,Ethyl 3-acetoxyacrylate,ethyl 3-acetoxyacrylate,CCOC(=O)\\C=C\\OC(=O)C,CCOC(=O)\C=C\OC(=O)C,"InChI=1/C7H10O4/c1-3-10-7(9)4-5-11-6(2)8/h4-5H,3H2,1-2H3",C7H10O4,,,,,,CTQAODRCOVPAEH-SNAWJCMRSA-N,,,,,,,,,,,
100.057.030,262-753-3,61381-91-7,"4,4'-oxybis[2,6-dibromoaniline]","4,4'-oxybis(2,6-dibromoaniline)",Nc1c(Br)cc(Oc2cc(Br)c(N)c(Br)c2)cc1Br,Nc1c(Br)cc(Oc2cc(Br)c(N)c(Br)c2)cc1Br,"InChI=1/C12H8Br4N2O/c13-7-1-5(2-8(14)11(7)17)19-6-3-9(15)12(18)10(16)4-6/h1-4H,17-18H2",C12H8Br4N2O,,,,,,XILHJTXOEMTUQR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.031,262-754-9,61382-99-8,1-isopropenyl-4-methylhex-5-enyl acetate,1-isopropenyl-4-methylhex-5-en-1-yl acetate,CC(CCC(OC(=O)C)C(=C)C)C=C,CC(CCC(OC(=O)C)C(=C)C)C=C,"InChI=1/C12H20O2/c1-6-10(4)7-8-12(9(2)3)14-11(5)13/h6,10,12H,1-2,7-8H2,3-5H3",C12H20O2,,,,,,ATOCHKMVAHBPNF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.043,262-768-5,61397-61-3,"cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulphonate","[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate",CS(=O)(=O)OCC1COC(Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl,CS(=O)(=O)OCC1COC(Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl,"InChI=1/C15H16Cl2N2O5S/c1-25(20,21)23-8-12-7-22-15(24-12,9-19-5-4-18-10-19)13-3-2-11(16)6-14(13)17/h2-6,10,12H,7-9H2,1H3",C15H16Cl2N2O5S,,,,,,RSLKNHRJTOZPGF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.045,262-770-6,61412-52-0,Hexadec-2-enylsuccinic acid,2-hexadec-2-en-1-ylsuccinic acid,OC(=O)C(CC=CCCCCCCCCCCCCC)CC(O)=O,OC(=O)C(CC=CCCCCCCCCCCCCC)CC(O)=O,"InChI=1/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24)",C20H36O4,,,,,,OEFYCSSKUNVOSE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.065,262-792-6,61437-85-2,(4-amino-2-chloro-5-methylphenyl)(4-chlorophenyl)acetonitrile,(4-amino-2-chloro-5-methylphenyl)(4-chlorophenyl)acetonitrile,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N,Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N,"InChI=1/C15H12Cl2N2/c1-9-6-12(14(17)7-15(9)19)13(8-18)10-2-4-11(16)5-3-10/h2-7,13H,19H2,1H3",C15H12Cl2N2,,,,,,SCNVPMWFNDBBQS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.287,239-931-4,15827-60-8,"[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid",[(bis{2-[bis(phosphonomethyl)amino]ethyl}amino)methyl]phosphonic acid,OP(=O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)",C9H28N3O15P5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14238,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.287,DUYCTCQXNHFCSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.299,239-945-0,15840-96-7,Cyclohexyl cyclohexanecarboxylate,cyclohexyl cyclohexanecarboxylate,O=C(OC1CCCCC1)C2CCCCC2,O=C(OC1CCCCC1)C2CCCCC2,"InChI=1/C13H22O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2",C13H22O2,,,,,,VJCWGXGMXAVKJU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.307,239-953-4,15845-96-2,"6a,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate","6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3",C27H36F2O5,,,,,,UWGRWFCLGQWKPR-GSTUPEFVSA-N,,,,,,,,,,,
100.036.309,239-956-0,15846-25-0,3-aminocrotonamide,3-aminobut-2-enamide,C\\C(=C\\C(=O)N)\\N,C\C(=C\C(=O)N)\N,"InChI=1/C4H8N2O/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H2,6,7)",C4H8N2O,,,,,,UAUSQEVPWPGBHG-IHWYPQMZSA-N,,,,,,,,,,,
100.036.310,239-957-6,15846-26-1,3-[(2-methyl-1-oxopropyl)amino]-2-butenamide,3-(isobutyrylamino)but-2-enamide,CC(C)C(=O)NC(C)=CC(N)=O,CC(C)C(=O)NC(C)=CC(N)=O,"InChI=1/C8H14N2O2/c1-5(2)8(12)10-6(3)4-7(9)11/h4-5H,1-3H3,(H2,9,11)(H,10,12)",C8H14N2O2,,,,,,JBKZUDJFOSCJDL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.381,259-838-2,55819-54-0,N-[3-[bis(2-hydroxyethyl)amino]propyl]stearamide,N-{3-[bis(2-hydroxyethyl)amino]propyl}octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO,"InChI=1/C25H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(30)26-19-17-20-27(21-23-28)22-24-29/h28-29H,2-24H2,1H3,(H,26,30)",C25H52N2O3,,,,,,RUBMRRHXTTXPMB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.390,259-848-7,55837-15-5,Butopiprine,2-butoxyethyl phenyl(piperidin-1-yl)acetate,CCCCOCCOC(=O)C(N1CCCCC1)c2ccccc2,CCCCOCCOC(=O)C(N1CCCCC1)c2ccccc2,"InChI=1/C19H29NO3/c1-2-3-14-22-15-16-23-19(21)18(17-10-6-4-7-11-17)20-12-8-5-9-13-20/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3",C19H29NO3,,,,,,MNBLDUWBHRTWEP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.394,259-852-9,55837-27-9,Piretanide,4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid,NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O,NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O,"InChI=1/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)",C17H18N2O5S,,,,,,UJEWTUDSLQGTOA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.401,259-860-2,55852-14-7,4-[3-(stearoylamino)propyl]morpholinium lactate,4-[3-(stearoylamino)propyl]morpholin-4-ium 2-hydroxypropanoate,CCCCCCCCCCCCCCCCCC(=O)NCCC[NH+]1CCOCC1.CC(O)C(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCCC[NH+]1CCOCC1.CC(O)C(=O)[O-],"InChI=1/C25H50N2O2.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27;1-2(4)3(5)6/h2-24H2,1H3,(H,26,28);2,4H,1H3,(H,5,6)",C25H50N2O2.C3H6O3,,,,,,BFWRTWBSOCPDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.404,259-863-9,55859-81-9,Trisodium yttrium bis(phosphate),trisodium yttrium bis(phosphate),[Na+].[Na+].[Na+].[Y+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Y+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3Na.2H3O4P.Y/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);/q3*+1;;;+3/p-6",H3O4P.3/2Na.1/2Y,,,,,,FIAHCMHEHIBACJ-UHFFFAOYSA-H,,,,,,,,,,,
100.054.405,259-864-4,55859-82-0,Lanthanum trisodium bis(phosphate),lanthanum trisodium bis(phosphate),[Na+].[Na+].[Na+].[La+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[La+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/La.3Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6",H3O4P.1/2La.3/2Na,,,,,,WDZLKGKZTQFEGF-UHFFFAOYSA-H,,,,,,,,,,,
100.054.407,259-867-0,55859-87-5,Trisodium terbium bis(phosphate),trisodium terbium bis(phosphate),[Na+].[Na+].[Na+].[Tb+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Tb+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3Na.2H3O4P.Tb/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);/q3*+1;;;+3/p-6",H3O4P.3/2Na.1/2Tb,,,,,,FKZPKZCANNVNHO-UHFFFAOYSA-H,,,,,,,,,,,
100.054.409,259-869-1,55860-53-2,O-isobutyl ethylthiocarbamate,O-isobutyl ethylthiocarbamate,CCNC(=S)OCC(C)C,CCNC(=S)OCC(C)C,"InChI=1/C7H15NOS/c1-4-8-7(10)9-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,10)",C7H15NOS,,,,,,HMZPXZFXOANPHS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.411,259-871-2,55870-50-3,Ammonium L-5-bromo-6-oxo-9-bornanesulphonate,"ammonium (3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)methanesulfonate",[NH4+].CC1(CS(=O)(=O)[O-])C2CCC1(C)C(=O)C2Br,[NH4+].CC1(CS(=O)(=O)[O-])C2CCC1(C)C(=O)C2Br,"InChI=1/C10H15BrO4S.H3N/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3",C10H15BrO4S.H3N,,,,,,GFBVBBRNPGPROZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.972,260-488-8,56974-04-0,"1-(3,3,5-trimethyl-1-cyclohexen-1-yl)pent-4-en-1-one","1-(3,3,5-trimethylcyclohex-1-en-1-yl)pent-4-en-1-one",CC1CC(=CC(C)(C)C1)C(=O)CCC=C,CC1CC(=CC(C)(C)C1)C(=O)CCC=C,"InChI=1/C14H22O/c1-5-6-7-13(15)12-8-11(2)9-14(3,4)10-12/h5,10-11H,1,6-9H2,2-4H3",C14H22O,,,,,,PLNUVHGSLMJVPB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.974,260-490-9,56974-07-3,"1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-one","1-(5,5-dimethylcyclohex-1-en-1-yl)-3-methylpent-4-en-1-one",CC(CC(=O)C1=CCCC(C)(C)C1)C=C,CC(CC(=O)C1=CCCC(C)(C)C1)C=C,"InChI=1/C14H22O/c1-5-11(2)9-13(15)12-7-6-8-14(3,4)10-12/h5,7,11H,1,6,8-10H2,2-4H3",C14H22O,,,,,,UUQUGOSCTSPPIO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.975,260-491-4,56974-57-3,Sodium 3-hydroxypivalate,"sodium 3-hydroxy-2,2-dimethylpropanoate",[Na+].CC(C)(CO)C(=O)[O-],[Na+].CC(C)(CO)C(=O)[O-],"InChI=1/C5H10O3.Na/c1-5(2,3-6)4(7)8;/h6H,3H2,1-2H3,(H,7,8);/q;+1/p-1",C5H10O3.Na,,,,,,NHXLJRWNZLCNEL-UHFFFAOYSA-M,,,,,,,,,,,
100.054.978,260-495-6,56975-11-2,"1,1'-(tetradecylimino)dipropan-2-ol","1,1'-(tetradecylimino)dipropan-2-ol",CCCCCCCCCCCCCCN(CC(C)O)CC(C)O,CCCCCCCCCCCCCCN(CC(C)O)CC(C)O,"InChI=1/C20H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-19(2)22)18-20(3)23/h19-20,22-23H,4-18H2,1-3H3",C20H43NO2,,,,,,NMEWVFFBYQFTLK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.981,260-498-2,56982-42-4,Cadmium divalerate,cadmium dipentanoate,[Cd+2].CCCCC(=O)[O-].CCCCC(=O)[O-],[Cd+2].CCCCC(=O)[O-].CCCCC(=O)[O-],"InChI=1/2C5H10O2.Cd/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Cd,,,,,,NBOUNNCSMFFVLV-UHFFFAOYSA-L,,,,,,,,,,,
100.054.983,260-500-1,56983-13-2,Furofenac,"(2-ethyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid",CCC1Cc2cc(CC(=O)O)ccc2O1,CCC1Cc2cc(CC(=O)O)ccc2O1,"InChI=1/C12H14O3/c1-2-10-7-9-5-8(6-12(13)14)3-4-11(9)15-10/h3-5,10H,2,6-7H2,1H3,(H,13,14)",C12H14O3,,,,,,MYQXHLQMZLTSDB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.989,260-506-4,57002-06-9,"Dodeca-8,10-dienol","dodeca-8,10-dien-1-ol",CC=CC=CCCCCCCCO,CC=CC=CCCCCCCCO,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3",C12H22O,,,,,,CSWBSLXBXRFNST-UHFFFAOYSA-N,,,,,,,,,,,
100.038.139,241-969-1,18059-99-9,"5H-dibenzo[a,d]cyclohepten-5-one O-[2-(methylamino)ethyl]oxime monohydrochloride","5H-dibenzo[a,d][7]annulen-5-one O-[2-(methylamino)ethyl]oxime hydrochloride",Cl.CNCCON=C1c2ccccc2C=Cc3ccccc13,Cl.CNCCON=C1c2ccccc2C=Cc3ccccc13,"InChI=1/C18H18N2O.ClH/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18;/h2-11,19H,12-13H2,1H3;1H",C18H18N2O.ClH,,,,,,MZTHMUGFMPRTIK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.141,241-971-2,18063-02-0,"2,6-difluorobenzoyl chloride","2,6-difluorobenzoyl chloride",Fc1cccc(F)c1C(=O)Cl,Fc1cccc(F)c1C(=O)Cl,InChI=1/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H,C7H3ClF2O,,,,,,QRHUZEVERIHEPT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.144,241-974-9,18066-68-7,"Ethyl 3,4-dimethoxyphenylacetate","ethyl (3,4-dimethoxyphenyl)acetate",CCOC(=O)Cc1ccc(OC)c(OC)c1,CCOC(=O)Cc1ccc(OC)c(OC)c1,"InChI=1/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3",C12H16O4,,,,,,WZKCZNJTDZCNMH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.148,241-979-6,18071-38-0,(dibutylamino)acetonitrile,(dibutylamino)acetonitrile,CCCCN(CCCC)CC#N,CCCCN(CCCC)CC#N,"InChI=1/C10H20N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-6,8-10H2,1-2H3",C10H20N2,,,,,,ZPVXOYNIUUYGQD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.150,241-981-7,18073-84-2,"4,4'-(propane-1,3-diyl)bis(piperidine-1-ethanol)","2,2'-(propane-1,3-diyldipiperidine-4,1-diyl)diethanol",OCCN1CCC(CCCC2CCN(CCO)CC2)CC1,OCCN1CCC(CCCC2CCN(CCO)CC2)CC1,"InChI=1/C17H34N2O2/c20-14-12-18-8-4-16(5-9-18)2-1-3-17-6-10-19(11-7-17)13-15-21/h16-17,20-21H,1-15H2",C17H34N2O2,,,,,,VSSGEWPIFHKREK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.152,241-983-8,18076-92-1,Ethylidenebis[trichlorosilane],"ethane-1,1-diylbis(trichlorosilane)",CC([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl,CC([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl,"InChI=1/C2H4Cl6Si2/c1-2(9(3,4)5)10(6,7)8/h2H,1H3",C2H4Cl6Si2,,,,,,GQMOTYMECCJBDG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.158,241-990-6,18080-76-7,Potassium icosanoate,potassium icosanoate,[K+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C20H40O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1",C20H40O2.K,,,,,,JFZDUSDRGGZYDF-UHFFFAOYSA-M,,,,,,,,,,,
100.038.159,241-991-1,18083-37-9,Trichloro-1-propenylsilane,trichloro(prop-1-en-1-yl)silane,CC=C[Si](Cl)(Cl)Cl,CC=C[Si](Cl)(Cl)Cl,"InChI=1/C3H5Cl3Si/c1-2-3-7(4,5)6/h2-3H,1H3",C3H5Cl3Si,,,,,,MYBZUWXXEFKPEE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.164,241-996-9,18092-54-1,4-methoxy-2-nitrobenzenesulphonyl chloride,4-methoxy-2-nitrobenzenesulfonyl chloride,COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl,COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl,"InChI=1/C7H6ClNO5S/c1-14-5-2-3-7(15(8,12)13)6(4-5)9(10)11/h2-4H,1H3",C7H6ClNO5S,,,,,,OGHAPVZVXLHURO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.742,238-233-7,14298-36-3,Lutetium phosphate,lutetium phosphate,[Lu+3].[O-]P(=O)([O-])[O-],[Lu+3].[O-]P(=O)([O-])[O-],"InChI=1/Lu.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",H3O4P.Lu,,,,,,OWNMACFMOIQGAC-UHFFFAOYSA-K,,,,,,,,,,,
100.036.250,239-891-8,15791-78-3,"1,8-dihydroxy-4-[[4-(2-hydroxyethyl)phenyl]amino]-5-nitroanthraquinone","1,8-dihydroxy-4-{[4-(2-hydroxyethyl)phenyl]amino}-5-nitro-9,10-anthraquinone",OCCc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1,OCCc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1,"InChI=1/C22H16N2O7/c25-10-9-11-1-3-12(4-2-11)23-13-5-7-15(26)19-17(13)21(28)18-14(24(30)31)6-8-16(27)20(18)22(19)29/h1-8,23,25-27H,9-10H2",C22H16N2O7,,,,,,VOCYGZAHYQXJOF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.253,239-894-4,15792-50-4,"Disodium 4-(4-((4-methylphenyl)sulphonyloxy)phenylazo)-4'-(5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-ylazo)-1,1'-biphenyl-3-sulphonate",disodium 4'-{[5-hydroxy-3-methyl-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl}-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-3-sulfonate,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3S([O-])(=O)=O)c4ccc(cc4)N=Nc6c(C)nn(c5ccc(cc5)S([O-])(=O)=O)c6O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3S([O-])(=O)=O)c4ccc(cc4)N=Nc6c(C)nn(c5ccc(cc5)S([O-])(=O)=O)c6O,"InChI=1/C35H28N6O10S3.2Na/c1-22-3-16-31(17-4-22)54(49,50)51-29-14-10-27(11-15-29)36-38-32-20-7-25(21-33(32)53(46,47)48)24-5-8-26(9-6-24)37-39-34-23(2)40-41(35(34)42)28-12-18-30(19-13-28)52(43,44)45;;/h3-21,42H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C35H28N6O10S3.2Na,,,,,,DBWXHWIECBQPCI-UHFFFAOYSA-L,,,,,,,,,,,
100.036.256,239-898-6,15793-73-4,"4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(p-tolyl)-3H-pyrazol-3-one]","4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]",Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2Cl)c5ccc(N=NC4C(\\C)=N/N(c3ccc(C)cc3)C4=O)c(Cl)c5)C6=O,Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2Cl)c5ccc(N=NC4C(\C)=N/N(c3ccc(C)cc3)C4=O)c(Cl)c5)C6=O,"InChI=1/C34H28Cl2N8O2/c1-19-5-11-25(12-6-19)43-33(45)31(21(3)41-43)39-37-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)38-40-32-22(4)42-44(34(32)46)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3",C34H28Cl2N8O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14131,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.256,UIBAAMBCJDNDSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.263,239-905-2,15805-75-1,Dihexyl succinate,dihexyl succinate,CCCCCCOC(=O)CCC(=O)OCCCCCC,CCCCCCOC(=O)CCC(=O)OCCCCCC,"InChI=1/C16H30O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h3-14H2,1-2H3",C16H30O4,,,,,,XEYHWMQDXTVNJW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.265,239-907-3,15806-42-5,4-(hexadecylamino)-4-oxoisocrotonic acid,4-(hexadecylamino)-4-oxobut-2-enoic acid,CCCCCCCCCCCCCCCCNC(=O)\\C=C/C(=O)O,CCCCCCCCCCCCCCCCNC(=O)\C=C/C(=O)O,"InChI=1/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19(22)16-17-20(23)24/h16-17H,2-15,18H2,1H3,(H,21,22)(H,23,24)",C20H37NO3,,,,,,BBTWPENPOIZEIL-MSUUIHNZSA-N,,,,,,,,,,,
100.036.266,239-908-9,15809-19-5,Benzyldimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride,"N-benzyl-N,N-dimethyl-3-(tetradecanoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C26H46N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21-26(29)27-22-18-23-28(2,3)24-25-19-15-14-16-20-25;/h14-16,19-20H,4-13,17-18,21-24H2,1-3H3;1H",C26H47N2O.Cl,,,,,,JQQZCIIDNVIQKO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.267,239-909-4,15811-52-6,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoyl fluoride","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoyl fluoride",FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C13F26O/c14-1(40)2(15,16)4(18,19)6(22,23)8(26,27)10(30,31)11(32,33)9(28,29)7(24,25)5(20,21)3(17,12(34,35)36)13(37,38)39",C13F26O,,,,,,KRIKPLSQWRBSRS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.269,239-912-0,15814-25-2,"1-[3-(trifluoromethyl)phenyl]propane-1,2-diol","1-[3-(trifluoromethyl)phenyl]propane-1,2-diol",CC(O)C(O)c1cccc(c1)C(F)(F)F,CC(O)C(O)c1cccc(c1)C(F)(F)F,"InChI=1/C10H11F3O2/c1-6(14)9(15)7-3-2-4-8(5-7)10(11,12)13/h2-6,9,14-15H,1H3",C10H11F3O2,,,,,,ISBSOFZWSJBJSW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.713,233-798-6,10361-83-8,Samarium trinitrate,-,[Sm+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Sm+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Sm/c3*2-1(3)4;/q3*-1;+2,HNO3.1/3Sm,,,,,,RJGSRFAAVMITAF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.715,233-800-5,10361-91-8,Ytterbium trichloride,-,[Cl-].[Cl-].[Cl-].[Yb+2],[Cl-].[Cl-].[Cl-].[Yb+2],InChI=1/3ClH.Yb.2H/h3*1H;;;/q;;;+2;;/p-3/r3ClH.H2Yb/h3*1H;1H2/q;;;+2/p-3,Cl3Yb,,,,,,AWEWFEWEDVPIFT-UHFFFAOYSA-K,,,,,,,,,,,
100.030.716,233-801-0,10361-92-9,Yttrium chloride hexahydrate,-,O.O.O.O.O.O.[Cl-].[Y+3],O.O.O.O.O.O.[Cl-].[Y+3],InChI=1/ClH.6H2O.Y/h1H;6*1H2;/q;;;;;;;+3/p-1,Cl3Y,,,,,,XIGUUKZYTXDJIU-UHFFFAOYSA-M,,,,,,,,,,,
100.030.717,233-802-6,10361-93-0,Yttrium trinitrate,yttrium trinitrate,[Y+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Y+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Y/c3*2-1(3)4;/q3*-1;+3,HNO3.1/3Y,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10646,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.717,BXJPTTGFESFXJU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.719,233-804-7,10361-95-2,Zinc chlorate,zinc dichlorate,[Zn+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Zn+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/2ClHO3.Zn/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",ClHO3.1/2Zn,,,,,,GTQFPPIXGLYKCZ-UHFFFAOYSA-L,,,,,,,,,,,
100.058.918,264-830-7,64347-17-7,3-(octatriacontenyl)succinic anhydride,"3-octatriacont-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C42H78O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-39-41(43)45-42(40)44/h37-38,40H,2-36,39H2,1H3",C42H78O3,,,,,,QTKNUCNMQVSTLA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.922,264-834-9,64349-27-5,2-chloro-5-[[5-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-o-tolyl]azo]benzenesulphonic acid,2-chloro-5-({5-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]-2-methylphenyl}diazenyl)benzenesulfonic acid,O=S(O)(=O)c1cc(ccc1Cl)N=Nc4cc(O)c(N=Nc2c3ccccc3ccc2O)cc4C,O=S(O)(=O)c1cc(ccc1Cl)N=Nc4cc(O)c(N=Nc2c3ccccc3ccc2O)cc4C,"InChI=1/C23H17ClN4O5S/c1-13-10-19(27-28-23-16-5-3-2-4-14(16)6-9-20(23)29)21(30)12-18(13)26-25-15-7-8-17(24)22(11-15)34(31,32)33/h2-12,29-30H,1H3,(H,31,32,33)",C23H17ClN4O5S,,,,,,JFYIMTOUBJATMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.942,264-856-9,64381-96-0,"N-butylidenehexane-1,6-diamine","N-butylidenehexane-1,6-diamine",NCCCCCCN=CCCC,NCCCCCCN=CCCC,"InChI=1/C10H22N2/c1-2-3-9-12-10-7-5-4-6-8-11/h9H,2-8,10-11H2,1H3",C10H22N2,,,,,,UCCHHQBTFYDPMX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.959,264-875-2,64415-07-2,7-(trifluoromethyl)quinoline-4-thiol,7-(trifluoromethyl)quinoline-4-thiol,FC(F)(F)c1ccc2c(S)ccnc2c1,FC(F)(F)c1ccc2c(S)ccnc2c1,"InChI=1/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)",C10H6F3NS,,,,,,DBWDEWRMEKXOFI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.961,264-877-3,64415-11-8,"4,6-dichloro-2-methylthio-5-phenylpyrimidine","4,6-dichloro-2-(methylsulfanyl)-5-phenylpyrimidine",CSc1nc(Cl)c(c(Cl)n1)c2ccccc2,CSc1nc(Cl)c(c(Cl)n1)c2ccccc2,"InChI=1/C11H8Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h2-6H,1H3",C11H8Cl2N2S,,,,,,LMTMZMBTPXASSW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.629,261-212-9,58336-07-5,"ß,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-ethyl acetate",2-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)propyl acetate,CC(COC(=O)C)C1CCC2(C)OC2C1,CC(COC(=O)C)C1CCC2(C)OC2C1,"InChI=1/C12H20O3/c1-8(7-14-9(2)13)10-4-5-12(3)11(6-10)15-12/h8,10-11H,4-7H2,1-3H3",C12H20O3,,,,,,LWMUTALNLTUMKC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.630,261-213-4,58336-35-9,"2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one","2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one",O=C1Oc2c3CCCN4CCCc(cc2C=C1)c34,O=C1Oc2c3CCCN4CCCc(cc2C=C1)c34,"InChI=1/C15H15NO2/c17-13-6-5-11-9-10-3-1-7-16-8-2-4-12(14(10)16)15(11)18-13/h5-6,9H,1-4,7-8H2",C15H15NO2,,,,,,MZSOXGPKUOAXNY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.637,261-221-8,58353-63-2,Dodecylnitrobenzene,1-dodecyl-2-nitrobenzene,CCCCCCCCCCCCc1ccccc1[N+](=O)[O-],CCCCCCCCCCCCc1ccccc1[N+](=O)[O-],"InChI=1/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19(20)21/h12-13,15-16H,2-11,14H2,1H3",C18H29NO2,,,,,,QWLHSHGYLNXYPS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.640,261-224-4,58369-03-2,"3-methylanthra[1,2-c]isoxazole-6,11-dione","3-methylanthra[1,2-c]isoxazole-6,11-dione",Cc1onc2c3C(=O)c4ccccc4C(=O)c3ccc12,Cc1onc2c3C(=O)c4ccccc4C(=O)c3ccc12,"InChI=1/C16H9NO3/c1-8-9-6-7-12-13(14(9)17-20-8)16(19)11-5-3-2-4-10(11)15(12)18/h2-7H,1H3",C16H9NO3,,,,,,IGPNWOMDIBWEAT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.645,261-230-7,58379-33-2,"Stearic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine","octadecanoic acid - N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.NCCNCCNCCNCCN,CCCCCCCCCCCCCCCCCC(=O)O.NCCNCCNCCNCCN,"InChI=1/C18H36O2.C8H23N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-17H2,1H3,(H,19,20);11-13H,1-10H2",C18H36O2.xC8H23N5,,,,,,CDCSRZWJRXOXLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.646,261-231-2,58379-60-5,ß-methylenepyridine-2-ethanol,2-pyridin-2-ylprop-2-en-1-ol,OCC(=C)c1ccccn1,OCC(=C)c1ccccn1,"InChI=1/C8H9NO/c1-7(6-10)8-4-2-3-5-9-8/h2-5,10H,1,6H2",C8H9NO,,,,,,YMJQERFTJRYEGU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.652,261-238-0,58405-97-3,Lead bis(12-hydroxystearate),-,[Pb+2].[O-]C(=O)CCCCCCCCCCC(O)CCCCCC.[O-]C(=O)CCCCCCCCCCC(O)CCCCCC,[Pb+2].[O-]C(=O)CCCCCCCCCCC(O)CCCCCC.[O-]C(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/2C18H36O3.Pb.2H/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;;/h2*17,19H,2-16H2,1H3,(H,20,21);;;/q;;+4;;/p-2/r2C18H36O3.H2Pb/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);1H2/q;;+4/p-2",C18H36O3.1/2Pb,,,,,,OZHGKMQTUUYMRS-UHFFFAOYSA-L,,,,,,,,,,,
100.055.653,261-239-6,58409-60-2,4-menthen-8-ol,2-(4-methylcyclohex-1-en-1-yl)propan-2-ol,CC1CCC(=CC1)C(C)(C)O,CC1CCC(=CC1)C(C)(C)O,"InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h6,8,11H,4-5,7H2,1-3H3",C10H18O,,,,,,HMXMWOXFKFLOGK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.656,261-242-2,58414-52-1,Methyl 3-thienylacetate,methyl 3-thienylacetate,COC(=O)Cc1ccsc1,COC(=O)Cc1ccsc1,"InChI=1/C7H8O2S/c1-9-7(8)4-6-2-3-10-5-6/h2-3,5H,4H2,1H3",C7H8O2S,,,,,,RZGRWVULDSXQSM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.659,261-245-9,58430-94-7,"3,5,5-trimethylhexyl acetate","3,5,5-trimethylhexyl acetate",CC(CCOC(=O)C)CC(C)(C)C,CC(CCOC(=O)C)CC(C)(C)C,"InChI=1/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3",C11H22O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13930,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.659,DGKXDLCVQSQVBC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.299,236-644-6,13454-94-9,Dicerium trisulphate,dicerium trisulphate,[Ce+3].[Ce+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Ce+3].[Ce+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Ce.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Ce.3/2H2O4S,,,,,,OZECDDHOAMNMQI-UHFFFAOYSA-H,,,,,,,,,,,
100.033.300,236-645-1,13454-96-1,Platinum tetrachloride,platinum tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2].[Pt+2],[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2].[Pt+2],InChI=1/4ClH.2Pt/h4*1H;;/q;;;;2*+2/p-4,Cl4Pt,,,,,,KBPRWZWTZAMEIF-UHFFFAOYSA-J,,,,,,,,,,,
100.033.301,236-646-7,13455-00-0,Diphosphorous tetraiodide,tetraiododiphosphane,IP(I)P(I)I,IP(I)P(I)I,InChI=1/I4P2/c1-5(2)6(3)4,I4P2,,,,,,YXXQTQYRRHHWFL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.302,236-647-2,13455-01-1,Phosphorus triiodide,phosphorus(3+) triiodide,[PH6+3].[I-].[I-].[I-],[PH6+3].[I-].[I-].[I-],InChI=1/3HI.H5P/h3*1H;1H5/q;;;+3/p-3,I3P,,,,,,CNUBITUMAGVLOQ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.323,236-670-8,13463-40-6,Pentacarbonyliron,-,[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+],[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+],InChI=1/5CO.Fe/c5*1-2;/q;;;;;+2,C5FeO5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1557,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.323,FYOFOKCECDGJBF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.327,236-675-5,13463-67-7,Titanium dioxide,dioxotitanium,O=[Ti]=O,O=[Ti]=O,InChI=1/2O.Ti/rO2Ti/c1-3-2,O2Ti,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15560,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.327,GWEVSGVZZGPLCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.330,236-678-1,13464-10-3,"4,5-dimethoxy-1,3-dimethylimidazolidin-2-one","4,5-dimethoxy-1,3-dimethylimidazolidin-2-one",COC1C(OC)N(C)C(=O)N1C,COC1C(OC)N(C)C(=O)N1C,"InChI=1/C7H14N2O3/c1-8-5(11-3)6(12-4)9(2)7(8)10/h5-6H,1-4H3",C7H14N2O3,,,,,,DFRGVMDKNSXRPF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.331,236-679-7,13464-19-2,S-phenyl chlorothioformate,S-phenyl chlorothiocarbonate,ClC(=O)Sc1ccccc1,ClC(=O)Sc1ccccc1,InChI=1/C7H5ClOS/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,C7H5ClOS,,,,,,HBEFYGYBMKPNSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.332,236-680-2,13464-35-2,Potassium arsenite,tripotassium arsenite,[K+].[K+].[K+].[O-][As]([O-])[O-],[K+].[K+].[K+].[O-][As]([O-])[O-],InChI=1/AsO3.3K/c2-1(3)4;;;/q-3;3*+1,AsHO2.K,,,,,,OZYUYLWHROWIFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.336,236-684-4,13464-68-1,Tristrontium diarsenate,tristrontium diarsenate,[Sr+2].[Sr+2].[Sr+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],[Sr+2].[Sr+2].[Sr+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],"InChI=1/2AsH3O4.3Sr/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",AsH3O4.3/2Sr,,,,,,NQUKBNOCUASEEE-UHFFFAOYSA-H,,,,,,,,,,,
100.033.337,236-686-5,13464-73-8,Rubidium tetrabromoaurate,rubidium tetrabromoaurate(1-),[Rb+].Br[Au-](Br)(Br)Br,[Rb+].Br[Au-](Br)(Br)Br,"InChI=1/Au.4BrH.Rb/h;4*1H;/q+3;;;;;+1/p-4/rAuBr4.Rb/c2-1(3,4)5;/q-1;+1",AuBr4.Rb,,,,,,VVCFEWRDPGNGSB-UHFFFAOYSA-J,,,,,,,,,,,
100.033.342,236-691-2,13465-08-2,Hydroxylammonium nitrate,hydroxyammonium nitrate,[NH3+]O.[O-][N+](=O)[O-],[NH3+]O.[O-][N+](=O)[O-],"InChI=1/NO3.H4NO/c2-1(3)4;1-2/h;2H,1H3/q-1;+1",H3NO.HNO3,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6670,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.342,CRJZNQFRBUFHTE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.345,236-694-9,13465-33-3,Mercury(1+) bromate,mercury bromate,[Hg+].[O-]Br(=O)=O,[Hg+].[O-]Br(=O)=O,"InChI=1/BrHO3.Hg/c2-1(3)4;/h(H,2,3,4);/q;+2/p-1",BrHO3.Hg,,,,,,JGRDVIZJXANZNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.707,240-394-3,16311-69-6,"5-(2-hydroxyethyl)-3,4-dimethylthiazolium iodide","5-(2-hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide",[I-].Cc1c(CCO)sc[n+]1C,[I-].Cc1c(CCO)sc[n+]1C,"InChI=1/C7H12NOS.HI/c1-6-7(3-4-9)10-5-8(6)2;/h5,9H,3-4H2,1-2H3;1H/q+1;/p-1",C7H12NOS.I,,,,,,GDNOYVMHHMSZJV-UHFFFAOYSA-M,,,,,,,,,,,
100.036.710,240-398-5,16323-12-9,[(methoxythioxomethyl)thio]acetic acid,[(methoxycarbonothioyl)sulfanyl]acetic acid,COC(=S)SCC(=O)O,COC(=S)SCC(=O)O,"InChI=1/C4H6O3S2/c1-7-4(8)9-2-3(5)6/h2H2,1H3,(H,5,6)",C4H6O3S2,,,,,,VFBHZMNCWUVORN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.715,240-404-6,16331-45-6,4-ethylbenzoyl chloride,4-ethylbenzoyl chloride,CCc1ccc(cc1)C(=O)Cl,CCc1ccc(cc1)C(=O)Cl,"InChI=1/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3",C9H9ClO,,,,,,AVTLLLZVYYPGFX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.719,240-408-8,16337-84-1,"Carbonic acid, nickel salt",nickel(2+) carbonate,[Ni+2].[O-]C(=O)[O-],[Ni+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Ni/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.xNi,,,,,,ZULUUIKRFGGGTL-UHFFFAOYSA-L,,,,,,,,,,,
100.036.722,240-411-4,16349-83-0,Tripotassium sodium disulphate,tripotassium sodium disulphate,[Na+].[K+].[K+].[K+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Na+].[K+].[K+].[K+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3K.Na.2H2O4S/c;;;;2*1-5(2,3)4/h;;;;2*(H2,1,2,3,4)/q4*+1;;/p-4",H2O4S.3/2K.1/2Na,,,,,,PGOOCLFVCAAIOJ-UHFFFAOYSA-J,,,,,,,,,,,
100.036.723,240-413-5,16354-93-1,D-threo-1-phenylglycerol,"3-phenoxypropane-1,2-diol",OCC(O)COc1ccccc1,OCC(O)COc1ccccc1,"InChI=1/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2",C9H12O3,,,,,,FNQIYTUXOKTMDM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.726,240-416-1,16356-11-9,"Undeca-1,3,5-triene","undeca-1,3,5-triene",C=CC=CC=CCCCCC,C=CC=CC=CCCCCC,"InChI=1/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3",C11H18,,,,,,JQQDKNVOSLONRS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.171,242-004-7,18108-68-4,Magnesium 8-(phenylamino)naphthalene-1-sulphonate,magnesium bis(8-anilinonaphthalene-1-sulfonate),[Mg+2].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12.[O-]S(=O)(=O)c4cccc5cccc(Nc6ccccc6)c45,[Mg+2].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12.[O-]S(=O)(=O)c4cccc5cccc(Nc6ccccc6)c45,"InChI=1/2C16H13NO3S.Mg/c2*18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h2*1-11,17H,(H,18,19,20);/q;;+2/p-2",C16H13NO3S.1/2Mg,,,,,,IRKGXNAZPUOEMW-UHFFFAOYSA-L,,,,,,,,,,,
100.038.174,242-007-3,18113-03-6,2-chloro-4-methoxyphenol,2-chloro-4-methoxyphenol,COc1ccc(O)c(Cl)c1,COc1ccc(O)c(Cl)c1,"InChI=1/C7H7ClO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3",C7H7ClO2,,,,,,GNVRRKLFFYSLGT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.176,242-009-4,18118-66-6,2'-(o-chloro-a-piperidinobenzylidene)hexadecane-1-sulphohydrazide,N'-[(2-chlorophenyl)(piperidin-1-yl)methylene]hexadecane-1-sulfonohydrazide,CCCCCCCCCCCCCCCCS(=O)(=O)NN=C(N1CCCCC1)c2ccccc2Cl,CCCCCCCCCCCCCCCCS(=O)(=O)NN=C(N1CCCCC1)c2ccccc2Cl,"InChI=1/C28H48ClN3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35(33,34)31-30-28(32-23-18-15-19-24-32)26-21-16-17-22-27(26)29/h16-17,21-22,31H,2-15,18-20,23-25H2,1H3",C28H48ClN3O2S,,,,,,BRRMAQWVYIJRQU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.918,234-023-4,10496-16-9,Diheptyl disulphide,"1,1'-disulfanediyldiheptane",CCCCCCCSSCCCCCCC,CCCCCCCSSCCCCCCC,"InChI=1/C14H30S2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3",C14H30S2,,,,,,IFGAFLQUAVLERP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.925,234-031-8,10502-44-0,4-methoxyphenylglycolic acid,hydroxy(4-methoxyphenyl)acetic acid,COc1ccc(cc1)C(O)C(=O)O,COc1ccc(cc1)C(O)C(=O)O,"InChI=1/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)",C9H10O4,,,,,,ITECRQOOEQWFPE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.927,234-033-9,10505-40-5,3-ethyl-5-[2-(3-ethylthiazolidin-2-ylidene)ethylidene]rhodanine,"3-ethyl-5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",CCN2CCSC2=CC=C1SC(=S)N(CC)C1=O,CCN2CCSC2=CC=C1SC(=S)N(CC)C1=O,"InChI=1/C12H16N2OS3/c1-3-13-7-8-17-10(13)6-5-9-11(15)14(4-2)12(16)18-9/h5-6H,3-4,7-8H2,1-2H3",C12H16N2OS3,,,,,,RNWPBDIQIZTRHE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.933,234-040-7,10507-86-5,3-ethyl-4-hydroxy-5-isopropylbenzaldehyde,3-ethyl-4-hydroxy-5-isopropylbenzaldehyde,CCc1cc(C=O)cc(C(C)C)c1O,CCc1cc(C=O)cc(C(C)C)c1O,"InChI=1/C12H16O2/c1-4-10-5-9(7-13)6-11(8(2)3)12(10)14/h5-8,14H,4H2,1-3H3",C12H16O2,,,,,,YBIFTNXBVUSIGK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.938,234-045-4,10512-86-4,N-formyl-L-alanine,N-formyl-L-alanine,C[C@H](NC=O)C(=O)O,C[C@H](NC=O)C(=O)O,"InChI=1/C4H7NO3/c1-3(4(7)8)5-2-6/h2-3H,1H3,(H,5,6)(H,7,8)",C4H7NO3,,,,,,SRBATDDRZARFDZ-VKHMYHEASA-N,,,,,,,,,,,
100.030.940,234-048-0,10513-45-8,N-tert-butyl-5-methylisoxazolium perchlorate,2-tert-butyl-5-methylisoxazol-2-ium perchlorate,Cc1o[n+](cc1)C(C)(C)C.[O-]Cl(=O)(=O)=O,Cc1o[n+](cc1)C(C)(C)C.[O-]Cl(=O)(=O)=O,"InChI=1/C8H14NO.ClHO4/c1-7-5-6-9(10-7)8(2,3)4;2-1(3,4)5/h5-6H,1-4H3;(H,2,3,4,5)/q+1;/p-1",C8H14NO.ClO4,,,,,,MPSXGPCFLAGJOM-UHFFFAOYSA-M,,,,,,,,,,,
100.030.942,234-050-1,10517-21-2,5-chloroindole-2-carboxylic acid,5-chloro-1H-indole-2-carboxylic acid,OC(=O)c1cc2cc(Cl)ccc2[nH]1,OC(=O)c1cc2cc(Cl)ccc2[nH]1,"InChI=1/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)",C9H6ClNO2,,,,,,FUQOTYRCMBZFOL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.946,234-054-3,10519-11-6,Decahydro-2-naphthyl acetate,decahydronaphthalen-2-yl acetate,CC(=O)OC1CCC2CCCCC2C1,CC(=O)OC1CCC2CCCCC2C1,"InChI=1/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3",C12H20O2,,,,,,XKCLIPLFEJSOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.948,234-056-4,10519-17-2,Ethyl undec-2-ynoate,ethyl undec-2-ynoate,CCCCCCCCC#CC(=O)OCC,CCCCCCCCC#CC(=O)OCC,"InChI=1/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-10H2,1-2H3",C13H22O2,,,,,,WVNHQHYIPXYFQX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.952,234-061-1,10519-88-7,Diallyldiphenylsilane,diallyl(diphenyl)silane,C=CC[Si](CC=C)(c1ccccc1)c2ccccc2,C=CC[Si](CC=C)(c1ccccc1)c2ccccc2,"InChI=1/C18H20Si/c1-3-15-19(16-4-2,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h3-14H,1-2,15-16H2",C18H20Si,,,,,,ZODWTWYKYYGSFS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.954,234-063-2,10520-81-7,2-bromotetradecanoic acid,2-bromotetradecanoic acid,CCCCCCCCCCCCC(Br)C(=O)O,CCCCCCCCCCCCC(Br)C(=O)O,"InChI=1/C14H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17)",C14H27BrO2,,,,,,GBBKJNDQLLKTCX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.958,234-067-4,10522-26-6,2-methylundecanol,2-methylundecan-1-ol,CCCCCCCCCC(C)CO,CCCCCCCCCC(C)CO,"InChI=1/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3",C12H26O,,,,,,FGZXHVORLPLICA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.965,234-075-8,10524-07-9,(E)-5-chloropent-2-ene,5-chloropent-2-ene,C\\C=C\\CCCl,C\C=C\CCCl,"InChI=1/C5H9Cl/c1-2-3-4-5-6/h2-3H,4-5H2,1H3",C5H9Cl,,,,,,QTRJVMJEBVLXOK-NSCUHMNNSA-N,,,,,,,,,,,
100.034.787,238-282-4,14333-96-1,N-hexyl-1H-adenine,N-hexyl-1H-purin-6-amine,CCCCCCNc1[nH]cnc2ncnc12,CCCCCCNc1[nH]cnc2ncnc12,"InChI=1/C11H17N5/c1-2-3-4-5-6-12-10-9-11(14-7-13-9)16-8-15-10/h7-8H,2-6H2,1H3,(H2,12,13,14,15,16)",C11H17N5,,,,,,SSVCRPKUKBLUMH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.791,238-287-1,14338-01-3,2-(methylamino)toluene-4-sulphonic acid,4-methyl-3-(methylamino)benzenesulfonic acid,CNc1cc(ccc1C)S(=O)(=O)O,CNc1cc(ccc1C)S(=O)(=O)O,"InChI=1/C8H11NO3S/c1-6-3-4-7(13(10,11)12)5-8(6)9-2/h3-5,9H,1-2H3,(H,10,11,12)",C8H11NO3S,,,,,,JGRPAFZFWIYCMC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.723,233-808-9,10366-35-5,2-chloronicotinamide,2-chloronicotinamide,O=C(N)c1cccnc1Cl,O=C(N)c1cccnc1Cl,"InChI=1/C6H5ClN2O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10)",C6H5ClN2O,,,,,,ZQZAHPFFZWEUCL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.731,233-817-8,10375-08-3,N-(3-aminopropyl)dodecanamide,N-(3-aminopropyl)dodecanamide,CCCCCCCCCCCC(=O)NCCCN,CCCCCCCCCCCC(=O)NCCCN,"InChI=1/C15H32N2O/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16/h2-14,16H2,1H3,(H,17,18)",C15H32N2O,,,,,,FTRKNUBBAPIZMS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.734,233-820-4,10377-48-7,Lithium sulphate,dilithium sulfate,[Li+].[Li+].[O-]S(=O)(=O)[O-],[Li+].[Li+].[O-]S(=O)(=O)[O-],"InChI=1/2Li.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O4S.2Li,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10837,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.734,INHCSSUBVCNVSK-UHFFFAOYSA-L,,,,,,,,,,,
100.030.744,233-831-4,10378-01-5,(Z)-hexadec-9-en-1-ol,hexadec-9-en-1-ol,CCCCCC\\C=C/CCCCCCCCO,CCCCCC\C=C/CCCCCCCCO,"InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,17H,2-6,9-16H2,1H3",C16H32O,,,,,,LBIYNOAMNIKVKF-FPLPWBNLSA-N,,,,,,,,,,,
100.030.745,233-833-5,10378-04-8,Ammonium ricinoleate,ammonium 12-hydroxyoctadec-9-enoate,[NH4+].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[NH4+].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H34O3.H3N/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);1H3",C18H34O3.H3N,,,,,,IROPSCDCCZHLDE-DPMBMXLASA-N,,,,,,,,,,,
100.037.871,241-675-3,17688-68-5,"4-phenylthiomorpholine 1,1-dioxide","4-phenylthiomorpholine 1,1-dioxide",O=S1(=O)CCN(CC1)c2ccccc2,O=S1(=O)CCN(CC1)c2ccccc2,"InChI=1/C10H13NO2S/c12-14(13)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2",C10H13NO2S,,,,,,OLQHDKQJHKZUNN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.254,236-595-0,13446-24-7,Magnesium pyrophosphate,dimagnesium diphosphate,[Mg+2].[Mg+2].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Mg+2].[Mg+2].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/2Mg.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4",H4O7P2.2Mg,,,,,,XZTWHWHGBBCSMX-UHFFFAOYSA-J,,,,,,,,,,,
100.033.268,236-610-0,13450-90-3,Gallium trichloride,gallium trichloride,[Cl-].[Cl-].[Cl-].[Ga+3],[Cl-].[Cl-].[Cl-].[Ga+3],InChI=1/3ClH.Ga/h3*1H;/q;;;+3/p-3,Cl3Ga,,,,,,UPWPDUACHOATKO-UHFFFAOYSA-K,,,,,,,,,,,
100.033.269,236-611-6,13450-91-4,Gallium triiodide,gallium triiodide,[Ga+3].[I-].[I-].[I-],[Ga+3].[I-].[I-].[I-],InChI=1/Ga.3HI/h;3*1H/q+3;;;/p-3,GaI3,,,,,,DWRNSCDYNYYYHT-UHFFFAOYSA-K,,,,,,,,,,,
100.033.270,236-612-1,13450-92-5,Germanium tetrabromide,germanium(4+) tetrabromide,[Ge+4].[Br-].[Br-].[Br-].[Br-],[Ge+4].[Br-].[Br-].[Br-].[Br-],InChI=1/4BrH.Ge/h4*1H;/q;;;;+4/p-4,Br4Ge,,,,,,IHUQLFDBZZLHET-UHFFFAOYSA-J,,,,,,,,,,,
100.033.271,236-613-7,13450-95-8,Germanium tetraiodide,germanium(4+) tetraiodide,[Ge+4].[I-].[I-].[I-].[I-],[Ge+4].[I-].[I-].[I-].[I-],InChI=1/Ge.4HI/h;4*1H/q+4;;;;/p-4,GeI4,,,,,,JWFYZNRHHGHPJD-UHFFFAOYSA-J,,,,,,,,,,,
100.033.280,236-623-1,13453-07-1,Gold trichloride,gold trichloride,[Cl-].[Cl-].[Cl-].[Au+].[Au+].[Au+],[Cl-].[Cl-].[Cl-].[Au+].[Au+].[Au+],InChI=1/3Au.3ClH/h;;;3*1H/q3*+1;;;/p-3,AuCl3,,,,,,ROMDVSGIIAFDAF-UHFFFAOYSA-K,,,,,,,,,,,
100.033.287,236-631-5,13453-69-5,Lithium metaborate,lithium metaborate,[Li+].[O-]B=O,[Li+].[O-]B=O,InChI=1/BO2.Li/c2-1-3;/q-1;+1,BHO2.Li,,,,,,HZRMTWQRDMYLNW-UHFFFAOYSA-N,,,,,,,,,,,
100.033.288,236-632-0,13453-71-9,Lithium chlorate,lithium chlorate,[Li+].[O-]Cl(=O)=O,[Li+].[O-]Cl(=O)=O,"InChI=1/ClHO3.Li/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",ClHO3.Li,,,,,,XQHAGELNRSUUGU-UHFFFAOYSA-M,,,,,,,,,,,
100.033.293,236-637-8,13454-71-2,Cerium phosphate,cerium(3+) phosphate,[Ce+3].[O-]P(=O)([O-])[O-],[Ce+3].[O-]P(=O)([O-])[O-],"InChI=1/Ce.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",Ce.H3O4P,,,,,,TYAVIWGEVOBWDZ-UHFFFAOYSA-K,,,,,,,,,,,
100.036.657,240-339-3,16213-85-7,"(2,5-dimethylphenyl)acetonitrile","(2,5-dimethylphenyl)acetonitrile",Cc1ccc(C)c(CC#N)c1,Cc1ccc(C)c(CC#N)c1,"InChI=1/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3",C10H11N,,,,,,HCELORQTHSKCQL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.661,240-344-0,16215-49-9,Dibutyl peroxydicarbonate,"1,1'-[dioxybis(carbonyloxy)]dibutane",CCCCOC(=O)OOC(=O)OCCCC,CCCCOC(=O)OOC(=O)OCCCC,"InChI=1/C10H18O6/c1-3-5-7-13-9(11)15-16-10(12)14-8-6-4-2/h3-8H2,1-2H3",C10H18O6,,,,,,ZGPBOPXFOJBLIV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.674,240-358-7,16245-79-7,4-octylaniline,4-octylaniline,CCCCCCCCc1ccc(N)cc1,CCCCCCCCc1ccc(N)cc1,"InChI=1/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3",C14H23N,,,,,,ORKQJTBYQZITLA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.675,240-359-2,16245-97-9,[(octadecyloxy)methyl]oxirane,2-[(octadecyloxy)methyl]oxirane,CCCCCCCCCCCCCCCCCCOCC1CO1,CCCCCCCCCCCCCCCCCCOCC1CO1,"InChI=1/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21-20-23-21/h21H,2-20H2,1H3",C21H42O2,,,,,,ZXJBWUAALADCRI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.127,260-658-1,57270-81-2,"5-[[4-(dimethylamino)phenyl]methylene]-1,3-dimethylbarbituric acid","5-[4-(dimethylamino)benzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione",CN2C(=O)C(=C/c1ccc(cc1)N(C)C)/C(=O)N(C)C2=O,CN2C(=O)C(=C/c1ccc(cc1)N(C)C)/C(=O)N(C)C2=O,"InChI=1/C15H17N3O3/c1-16(2)11-7-5-10(6-8-11)9-12-13(19)17(3)15(21)18(4)14(12)20/h5-9H,1-4H3",C15H17N3O3,,,,,,RRRGNIDYMUNGFN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.128,260-659-7,57271-91-7,N-butylsalicylamide,2-butoxybenzamide,NC(=O)c1ccccc1OCCCC,NC(=O)c1ccccc1OCCCC,"InChI=1/C11H15NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3,(H2,12,13)",C11H15NO2,,,,,,VPTQXJGFCHOGAN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.130,260-661-8,57282-44-7,"2-(2,6-dimethyl-5-heptenyl)-4-methyl-1,3-dioxane","2-(2,6-dimethylhept-5-en-1-yl)-4-methyl-1,3-dioxane",CC(CCC=C(C)C)CC1OCCC(C)O1,CC(CCC=C(C)C)CC1OCCC(C)O1,"InChI=1/C14H26O2/c1-11(2)6-5-7-12(3)10-14-15-9-8-13(4)16-14/h6,12-14H,5,7-10H2,1-4H3",C14H26O2,,,,,,IKWKPGJFLCMUKW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.137,260-669-1,57303-21-6,"N,N-diethylhexadecan-1-amide","N,N-diethylhexadecanamide",CCCCCCCCCCCCCCCC(=O)N(CC)CC,CCCCCCCCCCCCCCCC(=O)N(CC)CC,"InChI=1/C20H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(5-2)6-3/h4-19H2,1-3H3",C20H41NO,,,,,,MEBZVMXZXFKHJS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.139,260-671-2,57303-71-6,"1,3,3-trimethyl-2-[[(p-tolyl)azo]methylene]indoline","1,3,3-trimethyl-2-{[(4-methylphenyl)diazenyl]methylene}indoline",Cc1ccc(cc1)N=NC=C3N(C)c2ccccc2C3(C)C,Cc1ccc(cc1)N=NC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C19H21N3/c1-14-9-11-15(12-10-14)21-20-13-18-19(2,3)16-7-5-6-8-17(16)22(18)4/h5-13H,1-4H3",C19H21N3,,,,,,QVORMTIMKWYLIM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.140,260-672-8,57307-46-7,"Dihydro-3-(1,3,5,7-tetramethyl-2-octenyl)furan-2,5-dione","3-(1,3,5,7-tetramethyloct-2-en-1-yl)dihydrofuran-2,5-dione",O=C1OC(=O)CC1C(C)C=C(C)CC(C)CC(C)C,O=C1OC(=O)CC1C(C)C=C(C)CC(C)CC(C)C,"InChI=1/C16H26O3/c1-10(2)6-11(3)7-12(4)8-13(5)14-9-15(17)19-16(14)18/h8,10-11,13-14H,6-7,9H2,1-5H3",C16H26O3,,,,,,SFCLDKUUKKOPQU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.147,260-680-1,57323-59-8,Butenol,but-1-en-1-ol,CCC=CO,CCC=CO,"InChI=1/C4H8O/c1-2-3-4-5/h3-5H,2H2,1H3",C4H8O,,,,,,SIIVGPQREKVCOP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.151,260-684-3,57340-21-3,4-(bromomethyl)azobenzene,1-[4-(bromomethyl)phenyl]-2-phenyldiazene,BrCc1ccc(cc1)N=Nc2ccccc2,BrCc1ccc(cc1)N=Nc2ccccc2,"InChI=1/C13H11BrN2/c14-10-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,10H2",C13H11BrN2,,,,,,DFGWIAOSYURBRH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.156,260-690-6,57352-34-8,Ethylbenzenesulphonic acid,2-ethylbenzenesulfonic acid,CCc1ccccc1S(=O)(=O)O,CCc1ccccc1S(=O)(=O)O,"InChI=1/C8H10O3S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)",C8H10O3S,,,,,,UGHLEPMKNSFGCE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.158,260-692-7,57356-18-0,4-(hexahydro-1H-azepin-1-yl)aniline,4-azepan-1-ylaniline,Nc1ccc(cc1)N2CCCCCC2,Nc1ccc(cc1)N2CCCCCC2,"InChI=1/C12H18N2/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2",C12H18N2,,,,,,RDUONPQXZRHVKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.162,260-696-9,57359-00-9,"Trisodium 7-[2-[(aminocarbonyl)amino]-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonate","trisodium 7-{[2-(carbamoylamino)-4-(1,3,5-triazin-2-ylamino)phenyl]diazenyl}naphthalene-1,3,6-trisulfonate",NC(=O)Nc1cc(Nc2ncncn2)ccc1N=Nc3cc4c(cc(cc4cc3S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na],NC(=O)Nc1cc(Nc2ncncn2)ccc1N=Nc3cc4c(cc(cc4cc3S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C20H16N8O10S3.3Na/c21-19(29)26-15-5-11(25-20-23-8-22-9-24-20)1-2-14(15)27-28-16-7-13-10(4-18(16)41(36,37)38)3-12(39(30,31)32)6-17(13)40(33,34)35;;;/h1-9H,(H3,21,26,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;/q;3*+1/p-3/rC20H13N8Na3O10S3/c21-19(32)26-15-5-11(25-20-23-8-22-9-24-20)1-2-14(15)27-28-16-7-13-10(4-18(16)44(37,38)41-31)3-12(42(33,34)39-29)6-17(13)43(35,36)40-30/h1-9H,(H3,21,26,32)(H,22,23,24,25)",C20H14Cl2N8O10S3.3Na,,,,,,XLZHGJIMRMGXRI-UHFFFAOYSA-K,,,,,,,,,,,
100.055.164,260-699-5,57360-63-1,N-[4-[4-(tert-butyl)phenoxy]phenyl]-1-hydroxy-4-(phenylazo)naphthalene-2-carboxamide,N-[4-(4-tert-butylphenoxy)phenyl]-1-hydroxy-4-(phenyldiazenyl)-2-naphthamide,Oc2c5ccccc5c(N=Nc1ccccc1)cc2C(=O)Nc4ccc(Oc3ccc(cc3)C(C)(C)C)cc4,Oc2c5ccccc5c(N=Nc1ccccc1)cc2C(=O)Nc4ccc(Oc3ccc(cc3)C(C)(C)C)cc4,"InChI=1/C33H29N3O3/c1-33(2,3)22-13-17-25(18-14-22)39-26-19-15-23(16-20-26)34-32(38)29-21-30(36-35-24-9-5-4-6-10-24)27-11-7-8-12-28(27)31(29)37/h4-21,37H,1-3H3,(H,34,38)",C33H29N3O3,,,,,,MEVAAZHTGVFWTB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.068,262-795-2,61439-59-6,p-(benzyloxy)phenethyl alcohol,2-[4-(benzyloxy)phenyl]ethanol,OCCc1ccc(OCc2ccccc2)cc1,OCCc1ccc(OCc2ccccc2)cc1,"InChI=1/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2",C15H16O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17959,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.068,JCUJAHLWCDISCC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.074,262-801-3,61450-06-4,4-chloro-3-sulphamoylbenzenesulphonyl chloride,4-chloro-3-sulfamoylbenzenesulfonyl chloride,NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)Cl,NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)Cl,"InChI=1/C6H5Cl2NO4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,9,12,13)",C6H5Cl2NO4S2,,,,,,CADAUKUITLKLMI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.077,262-805-5,61465-75-6,Trichloromethylstyrene,1-(trichloromethyl)-2-vinylbenzene,ClC(Cl)(Cl)c1ccccc1C=C,ClC(Cl)(Cl)c1ccccc1C=C,"InChI=1/C9H7Cl3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2",C9H7Cl3,,,,,,AHTDISBPEICIPT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.729,240-419-8,16358-32-0,N-octylbenzenesulphonamide,N-octylbenzenesulfonamide,CCCCCCCCNS(=O)(=O)c1ccccc1,CCCCCCCCNS(=O)(=O)c1ccccc1,"InChI=1/C14H23NO2S/c1-2-3-4-5-6-10-13-15-18(16,17)14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3",C14H23NO2S,,,,,,ONGMSIYISVEKDB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.735,240-426-6,16369-21-4,2-(propylamino)ethanol,2-(propylamino)ethanol,CCCNCCO,CCCNCCO,"InChI=1/C5H13NO/c1-2-3-6-4-5-7/h6-7H,2-5H2,1H3",C5H13NO,,,,,,BCLSJHWBDUYDTR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.737,240-428-7,16369-53-2,"9,10-didehydro-N-(2-hydroxyethyl)-6-methylergoline-8ß-carboxamide","N-(2-hydroxyethyl)-6-methyl-9,10-didehydroergoline-8-carboxamide",CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)NCCO,CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)NCCO,"InChI=1/C18H21N3O2/c1-21-10-12(18(23)19-5-6-22)7-14-13-3-2-4-15-17(13)11(9-20-15)8-16(14)21/h2-4,7,9,12,16,20,22H,5-6,8,10H2,1H3,(H,19,23)",C18H21N3O2,,,,,,MASOQEHOSJDSMH-MLGOLLRUSA-N,,,,,,,,,,,
100.036.739,240-430-8,16382-18-6,"Ethyl 5,6-dimethoxy-1H-indole-2-carboxylate","ethyl 5,6-dimethoxy-1H-indole-2-carboxylate",CCOC(=O)c1cc2cc(OC)c(OC)cc2[nH]1,CCOC(=O)c1cc2cc(OC)c(OC)cc2[nH]1,"InChI=1/C13H15NO4/c1-4-18-13(15)10-5-8-6-11(16-2)12(17-3)7-9(8)14-10/h5-7,14H,4H2,1-3H3",C13H15NO4,,,,,,RBUSDPZPBBBAKR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.740,240-431-3,16383-89-4,4-nitro-o-phenetidine,2-ethoxy-4-nitroaniline,CCOc1cc(ccc1N)[N+](=O)[O-],CCOc1cc(ccc1N)[N+](=O)[O-],"InChI=1/C8H10N2O3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2,9H2,1H3",C8H10N2O3,,,,,,OWRHDQKCCXTFFE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.745,240-437-6,16387-18-1,2-ethylhexyl pivalate,2-ethylhexyl pivalate,CCCCC(CC)COC(=O)C(C)(C)C,CCCCC(CC)COC(=O)C(C)(C)C,"InChI=1/C13H26O2/c1-6-8-9-11(7-2)10-15-12(14)13(3,4)5/h11H,6-10H2,1-5H3",C13H26O2,,,,,,DGGIWFWLKMKNQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.747,240-439-7,16388-74-2,1-amino-4-anilino-2-[[2-(dimethylamino)ethyl]thio]anthraquinone,"1-amino-4-anilino-2-{[2-(dimethylamino)ethyl]sulfanyl}-9,10-anthraquinone",CN(C)CCSc1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1N,CN(C)CCSc1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C24H23N3O2S/c1-27(2)12-13-30-19-14-18(26-15-8-4-3-5-9-15)20-21(22(19)25)24(29)17-11-7-6-10-16(17)23(20)28/h3-11,14,26H,12-13,25H2,1-2H3",C24H23N3O2S,,,,,,MKHJJUBOMCBUMW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.749,240-441-8,16390-07-1,4-chloro-1'-(4-methoxyphenyl)benzohydrazide,4-chloro-N'-(4-methoxyphenyl)benzohydrazide,COc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1,COc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1,"InChI=1/C14H13ClN2O2/c1-19-13-8-6-12(7-9-13)16-17-14(18)10-2-4-11(15)5-3-10/h2-9,16H,1H3,(H,17,18)",C14H13ClN2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18109,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.749,IJTQUXKLUPYVCA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.331,239-980-1,15857-70-2,"(3,4-dihydro-2H-1-benzothiopyran-4-yl)ammonium chloride",thiochroman-4-aminium chloride,[Cl-].[NH3+]C1CCSc2ccccc12,[Cl-].[NH3+]C1CCSc2ccccc12,"InChI=1/C9H11NS.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,8H,5-6,10H2;1H",C9H11NS.ClH,,,,,,TXPWNJPROMVYBG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.334,239-983-8,15860-19-2,Cyclohexylammonium palmitate,cyclohexanaminium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].[NH3+]C1CCCCC1,CCCCCCCCCCCCCCCC(=O)[O-].[NH3+]C1CCCCC1,"InChI=1/C16H32O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-6-4-2-1-3-5-6/h2-15H2,1H3,(H,17,18);6H,1-5,7H2",C16H32O2.C6H13N,,,,,,PYFKOTYFBXTKMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.335,239-984-3,15860-21-6,Cyclohexylammonium stearate,cyclohexanaminium stearate,CCCCCCCCCCCCCCCCCC(=O)[O-].[NH3+]C1CCCCC1,CCCCCCCCCCCCCCCCCC(=O)[O-].[NH3+]C1CCCCC1,"InChI=1/C18H36O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-6-4-2-1-3-5-6/h2-17H2,1H3,(H,19,20);6H,1-5,7H2",C18H36O2.C6H13N,,,,,,DBKKYJPKNUNYFA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.338,239-988-5,15861-36-6,1H-indole-6-carbonitrile,1H-indole-6-carbonitrile,N#Cc1ccc2cc[nH]c2c1,N#Cc1ccc2cc[nH]c2c1,"InChI=1/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H",C9H6N2,,,,,,SZSZDBFJCQKTRG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.339,239-989-0,15862-34-7,5-bromo-3-nitro-2-pyridone,5-bromo-3-nitropyridin-2(1H)-one,O=[N+]([O-])\\C1=CC(/Br)=C\\NC1=O,O=[N+]([O-])\C1=CC(/Br)=C\NC1=O,"InChI=1/C5H3BrN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)",C5H3BrN2O3,,,,,,WXRLCVUDLFFTFF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.342,239-992-7,15866-36-1,"2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c3ccc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)c3,[O-][N+](=O)c3ccc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)c3,"InChI=1/C16H13N5O4/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22/h2-9,15,22H,1H3",C16H13N5O4,,,,,,ULPPOWQPJBUQOF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.343,239-993-2,15870-10-7,2-methylhept-1-ene,2-methylhept-1-ene,CCCCCC(=C)C,CCCCCC(=C)C,"InChI=1/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3",C8H16,,,,,,RCBGGJURENJHKV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.792,238-288-7,14338-32-0,2-chloro-1-methylpyridinium iodide,2-chloro-1-methylpyridinium iodide,[I-].C[n+]1ccccc1Cl,[I-].C[n+]1ccccc1Cl,"InChI=1/C6H7ClN.HI/c1-8-5-3-2-4-6(8)7;/h2-5H,1H3;1H/q+1;/p-1",C6H7ClN.I,,,,,,ABFPKTQEQNICFT-UHFFFAOYSA-M,,,,,,,,,,,
100.034.795,238-291-3,14340-08-0,"5<U+03BE>,17a-pregn-2-en-20-yn-17-yl acetate",pregn-2-en-20-yn-17-yl acetate,CC(=O)OC1(CCC2C3CCC4CC=CCC4(C)C3CCC12C)C#C,CC(=O)OC1(CCC2C3CCC4CC=CCC4(C)C3CCC12C)C#C,"InChI=1/C23H32O2/c1-5-23(25-16(2)24)15-12-20-18-10-9-17-8-6-7-13-21(17,3)19(18)11-14-22(20,23)4/h1,6-7,17-20H,8-15H2,2-4H3",C23H32O2,,,,,,SQRBBVVZRKZEPF-UHFFFAOYSA-N,,,,,,,,,,,
100.034.798,238-295-5,14345-96-1,3-(5-chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid,3-(5-chloro-2-thienyl)-5-methylisoxazole-4-carboxylic acid,Cc1onc(c2ccc(Cl)s2)c1C(=O)O,Cc1onc(c2ccc(Cl)s2)c1C(=O)O,"InChI=1/C9H6ClNO3S/c1-4-7(9(12)13)8(11-14-4)5-2-3-6(10)15-5/h2-3H,1H3,(H,12,13)",C9H6ClNO3S,,,,,,WWFRJIAXONKBSK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.799,238-296-0,14345-97-2,2-chloro-3-methylthiophene,2-chloro-3-methylthiophene,Cc1ccsc1Cl,Cc1ccsc1Cl,"InChI=1/C5H5ClS/c1-4-2-3-7-5(4)6/h2-3H,1H3",C5H5ClS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18864,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.799,KQFADYXPELMVHE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.803,238-300-0,14350-47-1,"3-ethyl-2-[3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]-4,5-dihydrothiazolium perchlorate","3-ethyl-2-[3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-thiazol-3-ium perchlorate",CCN2CCSC2=CC=CC=1SCC[N+]=1CC.[O-]Cl(=O)(=O)=O,CCN2CCSC2=CC=CC=1SCC[N+]=1CC.[O-]Cl(=O)(=O)=O,"InChI=1/C13H21N2S2.ClHO4/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13;2-1(3,4)5/h5-7H,3-4,8-11H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",C13H21N2S2.ClO4,,,,,,MILLXVQMIXHQEI-UHFFFAOYSA-M,,,,,,,,,,,
100.034.806,238-303-7,14350-94-8,"Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium hydroxide",-,[OH-].[Na+].CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,[OH-].[Na+].CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C16H30N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-15-17-10-11-18(15,12-13-19)14-16(20)21;;/h19H,2-14H2,1H3;;1H2/q;+1;",C16H31N2O3.HO.Na,,,,,,IQAXFTQMKLVRBK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.812,238-310-5,14351-40-7,2-[(1-oxooctadecyl)amino]ethyl stearate,2-(stearoylamino)ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C38H75NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(40)39-35-36-42-38(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,40)",C38H75NO3,,,,,,ZAYHEMRDHPVMSC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.815,238-313-1,14351-66-7,Sodium abietate,"sodium abieta-7,13-dien-18-oate",[Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1,[Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1,"InChI=1/C20H30O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1",C20H30O2.Na,,,,,,ITCAUAYQCALGGV-XTICBAGASA-M,,,,,,,,,,,
100.054.992,260-510-6,57010-31-8,Tiapamil,"N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxido-1,3-dithian-2-yl]-N-methylpropan-1-amine",COc1ccc(CCN(C)CCCC2(c3ccc(OC)c(OC)c3)S(=O)(=O)CCCS2(=O)=O)cc1OC,COc1ccc(CCN(C)CCCC2(c3ccc(OC)c(OC)c3)S(=O)(=O)CCCS2(=O)=O)cc1OC,"InChI=1/C26H37NO8S2/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5/h8-11,18-19H,6-7,12-17H2,1-5H3",C26H37NO8S2,,,,,,ZROUQTNYPCANTN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.000,260-519-5,57018-46-9,1-(4-azidophenyl)-2-bromoethan-1-one,1-(4-azidophenyl)-2-bromoethanone,[N-]=[N+]=N/c1ccc(cc1)C(=O)CBr,[N-]=[N+]=N/c1ccc(cc1)C(=O)CBr,"InChI=1/C8H6BrN3O/c9-5-8(13)6-1-3-7(4-2-6)11-12-10/h1-4H,5H2",C8H6BrN3O,,,,,,LZJPDRANSVSGOR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.004,260-523-7,57026-62-7,2-(pent-2-ynyl)cyclopentan-1-one,2-pent-2-yn-1-ylcyclopentanone,CCC#CCC1CCCC1=O,CCC#CCC1CCCC1=O,"InChI=1/C10H14O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2,5-8H2,1H3",C10H14O,,,,,,LEILLIRFSQTRFY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.005,260-524-2,57030-53-2,"4-hydroxy-a,a,4-trimethylcyclohex-2-ene-1-methanol",4-(1-hydroxy-1-methylethyl)-1-methylcyclohex-2-en-1-ol,CC(C)(O)C1CCC(C)(O)C=C1,CC(C)(O)C1CCC(C)(O)C=C1,"InChI=1/C10H18O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h4,6,8,11-12H,5,7H2,1-3H3",C10H18O2,,,,,,XWFVRMWMBYDDFY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.010,260-530-5,57041-76-6,2-methyl-3-(methylthio)propionaldehyde,2-methyl-3-(methylsulfanyl)propanal,CSCC(C)C=O,CSCC(C)C=O,"InChI=1/C5H10OS/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3",C5H10OS,,,,,,ZLAAGMOVQTVYQV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.016,260-536-8,57059-34-4,"3-(acetoxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-pyrido[3,2-e]-1,4-diazepin-2-one","7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-pyrido[3,2-e][1,4]diazepin-3-yl acetate",CC(=O)OC1N=C(c2ccccc2Cl)c3nc(Cl)ccc3NC1=O,CC(=O)OC1N=C(c2ccccc2Cl)c3nc(Cl)ccc3NC1=O,"InChI=1/C16H11Cl2N3O3/c1-8(22)24-16-15(23)19-11-6-7-12(18)20-14(11)13(21-16)9-4-2-3-5-10(9)17/h2-7,16H,1H3,(H,19,23)",C16H11Cl2N3O3,,,,,,UYCMAQWEBUMMAV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.677,240-361-3,16249-87-9,"Disodium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylate","disodium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindane-5-carboxylate",[Na+].[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccc(cc6C5=O)C(=O)[O-],[Na+].[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccc(cc6C5=O)C(=O)[O-],"InChI=1/C27H16N2O7S2.2Na/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31;;/h2-11,21H,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2",C27H16N2O7S2.2Na,,,,,,OUZJHSOHERXFRU-UHFFFAOYSA-L,,,,,,,,,,,
100.036.680,240-365-5,16259-34-0,Penimocycline,"6-{[{[({[4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracen-2-yl]carbonyl}amino)methyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCNC(C(=O)NC4C5SC(C)(C)C(N5C4=O)C(=O)O)c6ccccc6)C(=O)c7c(O)cccc7[C@@]3(C)O,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCNC(C(=O)NC4C5SC(C)(C)C(N5C4=O)C(=O)O)c6ccccc6)C(=O)c7c(O)cccc7[C@@]3(C)O,"InChI=1/C39H43N5O12S/c1-37(2)29(36(53)54)44-34(52)25(35(44)57-37)42-33(51)24(16-10-7-6-8-11-16)40-15-41-32(50)23-28(47)26(43(4)5)19-14-18-22(30(48)39(19,56)31(23)49)27(46)21-17(38(18,3)55)12-9-13-20(21)45/h6-13,18-19,24-26,29,35,40,45,47-48,55-56H,14-15H2,1-5H3,(H,41,50)(H,42,51)(H,53,54)",C39H43N5O12S,,,,,,ZVVMCQBZCQRRME-LHPFHTGGSA-N,,,,,,,,,,,
100.036.684,240-369-7,16260-27-8,Zinc dimyristate,zinc ditetradecanoate,[Zn+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C14H28O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2",C14H28O2.1/2Zn,,,,,,GBFLQPIIIRJQLU-UHFFFAOYSA-L,,,,,,,,,,,
100.036.690,240-376-5,16273-37-3,3-chlorophenylglycolic acid,(3-chlorophenyl)(hydroxy)acetic acid,OC(C(=O)O)c1cccc(Cl)c1,OC(C(=O)O)c1cccc(Cl)c1,"InChI=1/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)",C8H7ClO3,,,,,,SAMVPMGKGGLIPF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.691,240-377-0,16277-67-1,(3-methoxy-1-propenyl)benzene,(3-methoxyprop-1-en-1-yl)benzene,COCC=Cc1ccccc1,COCC=Cc1ccccc1,"InChI=1/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3",C10H12O,,,,,,XOURNDFHPYLQDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.692,240-378-6,16279-53-1,2-[(2-amino-1-naphthyl)azo]-5-nitrophenol,2-[(2-amino-1-naphthyl)diazenyl]-5-nitrophenol,Oc3cc(ccc3N=Nc1c2ccccc2ccc1N)[N+]([O-])=O,Oc3cc(ccc3N=Nc1c2ccccc2ccc1N)[N+]([O-])=O,"InChI=1/C16H12N4O3/c17-13-7-5-10-3-1-2-4-12(10)16(13)19-18-14-8-6-11(20(22)23)9-15(14)21/h1-9,21H,17H2",C16H12N4O3,,,,,,VQAXLVSIIUKAAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.695,240-381-2,16286-69-4,"2-(hexahydro-1H-azepin-1-yl)ethyl a-cyclohexylthiophene-3-acetate, compound with citric acid (1:1)","2-azepan-1-ylethyl cyclohexyl(3-thienyl)acetate 2-hydroxypropane-1,2,3-tricarboxylate (salt)",OC(=O)CC(O)(CC(=O)O)C(=O)O.O=C(OCCN1CCCCCC1)C(C2CCCCC2)c3ccsc3,OC(=O)CC(O)(CC(=O)O)C(=O)O.O=C(OCCN1CCCCCC1)C(C2CCCCC2)c3ccsc3,"InChI=1/C20H31NO2S.C6H8O7/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h10,15-17,19H,1-9,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C20H31NO2S.C6H8O7,,,,,,XMGJGSKRRWXOIF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.696,240-382-8,16290-26-9,4-(aminomethyl)pyrocatechol hydrobromide,"4-(aminomethyl)benzene-1,2-diol hydrobromide",Br.NCc1ccc(O)c(O)c1,Br.NCc1ccc(O)c(O)c1,"InChI=1/C7H9NO2.BrH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H",C7H9NO2.BrH,,,,,,BVFZTXFCZAXSHN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.698,240-384-9,16293-79-1,"cis-4b,5,9b,10-tetrahydroindeno[2,1-a]indene","4b,5,9b,10-tetrahydroindeno[2,1-a]indene",C1[C@@H]2[C@@H](Cc3ccccc23)c4ccccc14,C1[C@@H]2[C@@H](Cc3ccccc23)c4ccccc14,"InChI=1/C16H14/c1-3-7-13-11(5-1)9-15-14-8-4-2-6-12(14)10-16(13)15/h1-8,15-16H,9-10H2",C16H14,,,,,,WAOYYDRELAGSPG-HOTGVXAUSA-N,,,,,,,,,,,
100.036.699,240-385-4,16294-75-0,"14H-anthra[2,1,9-mna]thioxanthen-14-one","14H-anthra[2,1,9-mna]thioxanthen-14-one",O=C1c2ccccc2c3ccc4Sc5ccccc5c6ccc1c3c46,O=C1c2ccccc2c3ccc4Sc5ccccc5c6ccc1c3c46,InChI=1/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H,C23H12OS,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18082,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.699,NVNWZZLOQBHTCW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.701,240-388-0,16298-74-1,Sodium dibutyl phosphate,sodium dibutyl phosphate,[Na+].CCCCOP(=O)([O-])OCCCC,[Na+].CCCCOP(=O)([O-])OCCCC,"InChI=1/C8H19O4P.Na/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1",C8H19O4P.Na,,,,,,YEQCNBCFZFWPKX-UHFFFAOYSA-M,,,,,,,,,,,
100.036.271,239-914-1,15816-71-4,"Octanoic acid, compound with dicyclohexylamine (1:1)",octanoic acid - N-cyclohexylcyclohexanamine (1:1),CCCCCCCC(=O)O.C1CCC(CC1)NC2CCCCC2,CCCCCCCC(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C8H16O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8(9)10/h11-13H,1-10H2;2-7H2,1H3,(H,9,10)",C12H23N.C8H16O2,,,,,,HFNYKMJSBDPKSF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.286,239-930-9,15827-34-6,"a,a'-bis(dimethylamino)-2,6-xylenol","2,6-bis[(dimethylamino)methyl]phenol",CN(C)Cc1cccc(CN(C)C)c1O,CN(C)Cc1cccc(CN(C)C)c1O,"InChI=1/C12H20N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h5-7,15H,8-9H2,1-4H3",C12H20N2O,,,,,,VUENIEFVRKDJAS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.088,262-817-0,61488-78-6,3-[[2-chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile,"3-({2-chloro-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile",[O-][N+](=O)c2ccc3nc(N=Nc1ccc(NCCC#N)c(Cl)c1)sc3c2,[O-][N+](=O)c2ccc3nc(N=Nc1ccc(NCCC#N)c(Cl)c1)sc3c2,"InChI=1/C16H11ClN6O2S/c17-12-8-10(2-4-13(12)19-7-1-6-18)21-22-16-20-14-5-3-11(23(24)25)9-15(14)26-16/h2-5,8-9,19H,1,7H2",C16H11ClN6O2S,,,,,,NWEQNTISLULYNS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.098,262-828-0,61516-73-2,Ethyl 2-oxopyrrolidine-1-acetate,ethyl (2-oxopyrrolidin-1-yl)acetate,CCOC(=O)CN1CCCC1=O,CCOC(=O)CN1CCCC1=O,"InChI=1/C8H13NO3/c1-2-12-8(11)6-9-5-3-4-7(9)10/h2-6H2,1H3",C8H13NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19148,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.098,AQZWKPDVWWJWRY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.100,262-830-1,61526-72-5,"N-(2,5-dimethoxyphenyl)-a-[4-(hexadecyloxy)benzoyl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide","N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[4-(hexadecyloxy)phenyl]-3-oxopropanamide",CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)C(C(=O)Nc2cc(OC)ccc2OC)n3cnc4N(C)C(=O)N(C)C(=O)c34,CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)C(C(=O)Nc2cc(OC)ccc2OC)n3cnc4N(C)C(=O)N(C)C(=O)c34,"InChI=1/C40H55N5O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-52-30-22-20-29(21-23-30)36(46)34(38(47)42-32-27-31(50-4)24-25-33(32)51-5)45-28-41-37-35(45)39(48)44(3)40(49)43(37)2/h20-25,27-28,34H,6-19,26H2,1-5H3,(H,42,47)",C40H55N5O7,,,,,,FJFXGJOXMKWQLB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.102,262-832-2,61537-49-3,m-(p-toluidino)phenol,3-[(4-methylphenyl)amino]phenol,Cc1ccc(Nc2cccc(O)c2)cc1,Cc1ccc(Nc2cccc(O)c2)cc1,"InChI=1/C13H13NO/c1-10-5-7-11(8-6-10)14-12-3-2-4-13(15)9-12/h2-9,14-15H,1H3",C13H13NO,,,,,,TWYLNUMRYUFZIN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.109,262-840-6,61551-61-9,(dodecylbenzyl)dimethylsulphonium chloride,(2-dodecylbenzyl)(dimethyl)sulfonium chloride,[Cl-].CCCCCCCCCCCCc1ccccc1C[S+](C)C,[Cl-].CCCCCCCCCCCCc1ccccc1C[S+](C)C,"InChI=1/C21H37S.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)19-22(2)3;/h14-15,17-18H,4-13,16,19H2,1-3H3;1H/q+1;/p-1",C21H37S.Cl,,,,,,DNEBVKLLIRBFSS-UHFFFAOYSA-M,,,,,,,,,,,
100.058.963,264-879-4,64415-13-0,3-amino-4-chloro-N-(2-cyanoethyl)benzenesulphonamide,3-amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide,Nc1cc(ccc1Cl)S(=O)(=O)NCCC#N,Nc1cc(ccc1Cl)S(=O)(=O)NCCC#N,"InChI=1/C9H10ClN3O2S/c10-8-3-2-7(6-9(8)12)16(14,15)13-5-1-4-11/h2-3,6,13H,1,5,12H2",C9H10ClN3O2S,,,,,,DNMYCTLTLUHRRT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.965,264-882-0,64415-15-2,4-aminosulphonyl-1-hydroxy-2-naphthoic acid,1-hydroxy-4-sulfamoyl-2-naphthoic acid,NS(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12,NS(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12,"InChI=1/C11H9NO5S/c12-18(16,17)9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)(H2,12,16,17)",C11H9NO5S,,,,,,OTDVKOVLSPJORY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.986,264-904-9,64475-90-7,Antimony arsenic oxide,Antimony arsenic oxide,[SbH3+3].[AsH3+3]=O,[SbH3+3].[AsH3+3]=O,InChI=1/AsH3O.Sb.3H/c1-2;;;;/h1H3;;;;/q2*+3;;;/rAsH3O.H3Sb/c1-2;/h1H3;1H3/q2*+3,-,,,,,,FKVOXDISZZDUBS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.988,264-907-5,64484-88-4,"Methyl 2-[[3-[[[4-(acetylamino)phenyl]amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-[[(2,3-dichlorophenyl)amino]carbonyl]benzoate","methyl 2-({3-[(4-acetamidophenyl)carbamoyl]-2-hydroxy-1-naphthyl}diazenyl)-4-[(2,3-dichlorophenyl)carbamoyl]benzoate",Clc5c(NC(=O)c4ccc(C(=O)OC)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(NC(C)=O)cc1)c2O)c4)cccc5Cl,Clc5c(NC(=O)c4ccc(C(=O)OC)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(NC(C)=O)cc1)c2O)c4)cccc5Cl,"InChI=1/C34H25Cl2N5O6/c1-18(42)37-21-11-13-22(14-12-21)38-33(45)25-16-19-6-3-4-7-23(19)30(31(25)43)41-40-28-17-20(10-15-24(28)34(46)47-2)32(44)39-27-9-5-8-26(35)29(27)36/h3-17,43H,1-2H3,(H,37,42)(H,38,45)(H,39,44)",C34H25Cl2N5O6,,,,,,QLIKMYHDFVXMAH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.375,267-533-0,67875-18-7,Sodium 8-anilino-5-[(2-chloro-4-nitrophenyl)azo]naphthalene-1-sulphonate,sodium 8-anilino-5-[(2-chloro-4-nitrophenyl)diazenyl]naphthalene-1-sulfonate,[Na+].Clc4cc(ccc4N=Nc3ccc(Nc1ccccc1)c2c3cccc2S([O-])(=O)=O)[N+]([O-])=O,[Na+].Clc4cc(ccc4N=Nc3ccc(Nc1ccccc1)c2c3cccc2S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C22H15ClN4O5S.Na/c23-17-13-15(27(28)29)9-10-19(17)26-25-18-11-12-20(24-14-5-2-1-3-6-14)22-16(18)7-4-8-21(22)33(30,31)32;/h1-13,24H,(H,30,31,32);/q;+1/p-1",C22H15ClN4O5S.Na,,,,,,GLAKGNZILRWHRR-UHFFFAOYSA-M,,,,,,,,,,,
100.055.667,261-254-8,58441-54-6,6-bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium chloride,6-bromo-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-methylbenzo[cd]indolium chloride,[Cl-].CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Br)c4cccc2c34,[Cl-].CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Br)c4cccc2c34,"InChI=1/C22H22BrN2O.ClH/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;/h4-12,26H,3,13-14H2,1-2H3;1H/q+1;/p-1",C22H22BrN2O.Cl,,,,,,ZGRMAOZCTKUHPX-UHFFFAOYSA-M,,,,,,,,,,,
100.055.679,261-267-9,58470-12-5,"4-nitro-2-[[(2,4,6-tripropoxyphenyl)methylene]amino]phenol","4-nitro-2-[(2,4,6-tripropoxybenzylidene)amino]phenol",Oc2ccc(cc2N=Cc1c(OCCC)cc(OCCC)cc1OCCC)[N+]([O-])=O,Oc2ccc(cc2N=Cc1c(OCCC)cc(OCCC)cc1OCCC)[N+]([O-])=O,"InChI=1/C22H28N2O6/c1-4-9-28-17-13-21(29-10-5-2)18(22(14-17)30-11-6-3)15-23-19-12-16(24(26)27)7-8-20(19)25/h7-8,12-15,25H,4-6,9-11H2,1-3H3",C22H28N2O6,,,,,,QNFLOJLBFREGQP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.355,240-007-8,15876-44-5,"[3-hydroxy-4-[(4-sulpho-1-naphthyl)azo]naphthalene-2,7-disulphonato(3-)]aluminium","[3-hydroxy-4-{[4-(sulfo-kappaO)-1-naphthyl]diazenyl}naphthalene-2,7-disulfonato(3-)-kappa~2~O~2~,O~7~]aluminum",Oc1c2N=Nc3ccc(c4ccccc34)S(=O)(=O)O[Al]5OS(=O)(=O)c6ccc2c(c6)cc1S(=O)(=O)O5,Oc1c2N=Nc3ccc(c4ccccc34)S(=O)(=O)O[Al]5OS(=O)(=O)c6ccc2c(c6)cc1S(=O)(=O)O5,"InChI=1/C20H14N2O10S3.Al/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+3/p-3/rC20H11AlN2O10S3/c24-20-18-10-11-9-12-5-6-13(11)19(20)23-22-16-7-8-17(15-4-2-1-3-14(15)16)35(27,28)32-21(31-34(12,25)26)33-36(18,29)30/h1-10,24H",C20H11AlN2O10S3,,,,,,VGVCYVQGAQCIRY-UHFFFAOYSA-K,,,,,,,,,,,
100.036.356,240-008-3,15876-47-8,"[7-hydroxy-8-[(4-sulpho-1-naphthyl)azo]naphthalene-1,3-disulphonato(3-)]aluminium","[6-hydroxy-5-{[4-(sulfo-kappaO)-1-naphthyl]diazenyl}naphthalene-1,3-disulfonato(3-)-kappa~2~O~1~,O~3~]aluminum",Oc1ccc2c3cc4cc2c1N=Nc5ccc(c6ccccc56)S(=O)(=O)O[Al](OS4(=O)=O)OS3(=O)=O,Oc1ccc2c3cc4cc2c1N=Nc5ccc(c6ccccc56)S(=O)(=O)O[Al](OS4(=O)=O)OS3(=O)=O,"InChI=1/C20H14N2O10S3.Al/c23-17-7-5-14-15(9-11(33(24,25)26)10-19(14)35(30,31)32)20(17)22-21-16-6-8-18(34(27,28)29)13-4-2-1-3-12(13)16;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+3/p-3/rC20H11AlN2O10S3/c24-17-7-5-14-15-9-11-10-19(14)36(29,30)33-21(31-34(11,25)26)32-35(27,28)18-8-6-16(22-23-20(15)17)12-3-1-2-4-13(12)18/h1-10,24H",C20H11AlN2O10S3,,,,,,IKAWITRVXKMFGN-UHFFFAOYSA-K,,,,,,,,,,,
100.036.357,240-009-9,15876-51-4,Tris[4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonato]aluminium,aluminum tris{4-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate},Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O[Al](OS(=O)(=O)c4ccc(cc4)N=Nc5c(O)ccc6ccccc56)OS(=O)(=O)c7ccc(cc7)N=Nc8c(O)ccc9ccccc89,Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O[Al](OS(=O)(=O)c4ccc(cc4)N=Nc5c(O)ccc6ccccc56)OS(=O)(=O)c7ccc(cc7)N=Nc8c(O)ccc9ccccc89,"InChI=1/3C16H12N2O4S.Al/c3*19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h3*1-10,19H,(H,20,21,22);/q;;;+3/p-3/rC48H33AlN6O12S3/c56-43-28-13-31-7-1-4-10-40(31)46(43)53-50-34-16-22-37(23-17-34)68(59,60)65-49(66-69(61,62)38-24-18-35(19-25-38)51-54-47-41-11-5-2-8-32(41)14-29-44(47)57)67-70(63,64)39-26-20-36(21-27-39)52-55-48-42-12-6-3-9-33(42)15-30-45(48)58/h1-30,56-58H",C48H33AlN6O12S3,,,,,,KDQIVALLEAQRLG-UHFFFAOYSA-K,,,,,,,,,,,
100.036.360,240-013-0,15876-67-2,Distigmine bromide,"3,3'-{hexane-1,6-diylbis[(methylcarbamoyl)oxy]}bis(1-methylpyridinium) dibromide",[Br-].[Br-].CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc2ccc[n+](C)c2,[Br-].[Br-].CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc2ccc[n+](C)c2,"InChI=1/C22H32N4O4.2BrH/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20;;/h9-14,17-18H,5-8,15-16H2,1-4H3;2*1H/q+2;;/p-2",C22H32N4O4.2Br,,,,,,GJHSNEVFXQVOHR-UHFFFAOYSA-L,,,,,,,,,,,
100.036.361,240-014-6,15877-57-3,3-methylvaleraldehyde,3-methylpentanal,CCC(C)CC=O,CCC(C)CC=O,"InChI=1/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3",C6H12O,,,,,,YJWJGLQYQJGEEP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.365,240-018-8,15883-44-0,Thulium phosphate,thulium phosphate,[Tm+3].[O-]P(=O)([O-])[O-],[Tm+3].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Tm/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",H3O4P.Tm,,,,,,OKBGNVIROKPBTK-UHFFFAOYSA-K,,,,,,,,,,,
100.054.424,259-885-9,55905-53-8,Clebopride,4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide,COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2,COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2,"InChI=1/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)",C20H24ClN3O2,,,,,,BVPWJMCABCPUQY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.446,259-910-3,55934-93-5,[(butoxymethylethoxy)methylethoxy]propan-1-ol,1-[2-(2-butoxy-1-methylethoxy)-1-methylethoxy]propan-1-ol,CCCCOCC(C)OCC(C)OC(O)CC,CCCCOCC(C)OCC(C)OC(O)CC,"InChI=1/C13H28O4/c1-5-7-8-15-9-11(3)16-10-12(4)17-13(14)6-2/h11-14H,5-10H2,1-4H3",C13H28O4,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13383,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.446,ZIMJLRMRJIBBBN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.450,259-915-0,55947-46-1,Sodium 2-propyne-1-sulphonate,sodium prop-1-yne-1-sulfonate,[Na+].CC#CS(=O)(=O)[O-],[Na+].CC#CS(=O)(=O)[O-],"InChI=1/C3H4O3S.Na/c1-2-3-7(4,5)6;/h1H3,(H,4,5,6);/q;+1/p-1",C3H4O3S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17320,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.450,MRGUSFYIQDLKNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.054.455,259-920-8,55954-19-3,"Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide","2-oxo-N-[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]azepane-1-carboxamide",CC1(C)CC(CC(C)(CNC(=O)N2CCCCCC2=O)C1)NC(=O)N3CCCCCC3=O,CC1(C)CC(CC(C)(CNC(=O)N2CCCCCC2=O)C1)NC(=O)N3CCCCCC3=O,"InChI=1/C24H40N4O4/c1-23(2)14-18(26-22(32)28-13-9-5-7-11-20(28)30)15-24(3,16-23)17-25-21(31)27-12-8-4-6-10-19(27)29/h18H,4-17H2,1-3H3,(H,25,31)(H,26,32)",C24H40N4O4,,,,,,OUXZKCYUOAUYIV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.461,259-927-6,55973-70-1,"1,4-bis(4-aminobenzoyl)piperazine","4,4'-(piperazine-1,4-diyldicarbonyl)dianiline",Nc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(N)cc3,Nc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(N)cc3,"InChI=1/C18H20N4O2/c19-15-5-1-13(2-6-15)17(23)21-9-11-22(12-10-21)18(24)14-3-7-16(20)8-4-14/h1-8H,9-12,19-20H2",C18H20N4O2,,,,,,VZMALRANZODVRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.022,260-543-6,57072-40-9,"Citric acid, chromium salt",chromium(2+) 2-(carboxymethyl)-2-hydroxysuccinate,[Cr+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],[Cr+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Cr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2",C6H8O7.xCr,,,,,,IOFNKFMGGARNQD-UHFFFAOYSA-L,,,,,,,,,,,
100.055.025,260-546-2,57074-34-7,S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] (1Rtrans)ethanethioate,S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate,CC1CCC(C(=O)C1)C(C)(C)SC(=O)C,CC1CCC(C(=O)C1)C(C)(C)SC(=O)C,"InChI=1/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3",C12H20O2S,,,,,,AMXPURQVAMENCC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.030,260-552-5,57077-36-8,Isononanoyl chloride,7-methyloctanoyl chloride,CC(C)CCCCCC(=O)Cl,CC(C)CCCCCC(=O)Cl,"InChI=1/C9H17ClO/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3",C9H17ClO,,,,,,GXIQQLXFFZDGHO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.034,260-556-7,57083-89-3,Peralopride,"4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-2-chloro-5-methoxyaniline",COc1cc(N)c(Cl)cc1C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2,COc1cc(N)c(Cl)cc1C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2,"InChI=1/C20H22ClN3O4/c1-26-18-10-16(22)15(21)9-14(18)20(25)24-6-4-23(5-7-24)11-13-2-3-17-19(8-13)28-12-27-17/h2-3,8-10H,4-7,11-12,22H2,1H3",C20H22ClN3O4,,,,,,XBYVCKARLGAKEX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.190,242-025-1,18138-93-7,"ß-fluoro-ß,ß,2,4,6-pentanitrophenetole","2-(2-fluoro-2,2-dinitroethoxy)-1,3,5-trinitrobenzene",[O-][N+](=O)c1cc(c(OCC(F)([N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(OCC(F)([N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H4FN5O11/c9-8(13(21)22,14(23)24)3-25-7-5(11(17)18)1-4(10(15)16)2-6(7)12(19)20/h1-2H,3H2",C8H4FN5O11,,,,,,UTIOXNJCGBCKFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.191,242-026-7,18141-42-9,Bis(2-chloroethoxy)dimethylsilane,bis(2-chloroethoxy)(dimethyl)silane,C[Si](C)(OCCCl)OCCCl,C[Si](C)(OCCCl)OCCCl,"InChI=1/C6H14Cl2O2Si/c1-11(2,9-5-3-7)10-6-4-8/h3-6H2,1-2H3",C6H14Cl2O2Si,,,,,,JNMHGVGUMWBNFX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.193,242-028-8,18142-53-5,Trichloro(3-chloro-2-methylpropyl)silane,trichloro(3-chloro-2-methylpropyl)silane,CC(CCl)C[Si](Cl)(Cl)Cl,CC(CCl)C[Si](Cl)(Cl)Cl,"InChI=1/C4H8Cl4Si/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3",C4H8Cl4Si,,,,,,VVUUXYGSBMJAHC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.195,242-030-9,18145-83-0,Chloro(3-chloro-2-methylpropyl)dimethylsilane,chloro(3-chloro-2-methylpropyl)dimethylsilane,CC(CCl)C[Si](C)(C)Cl,CC(CCl)C[Si](C)(C)Cl,"InChI=1/C6H14Cl2Si/c1-6(4-7)5-9(2,3)8/h6H,4-5H2,1-3H3",C6H14Cl2Si,,,,,,RMILLRSLWHOHQS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.200,242-036-1,18147-81-4,Methyl 3-(trichlorosilyl)propionate,methyl 3-(trichlorosilyl)propanoate,COC(=O)CC[Si](Cl)(Cl)Cl,COC(=O)CC[Si](Cl)(Cl)Cl,"InChI=1/C4H7Cl3O2Si/c1-9-4(8)2-3-10(5,6)7/h2-3H2,1H3",C4H7Cl3O2Si,,,,,,GHWAWUSLARFVNH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.201,242-037-7,18151-85-4,3-(pentamethyldisiloxanyl)propyl methacrylate,3-(pentamethyldisiloxanyl)propyl methacrylate,CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C,CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C,"InChI=1/C12H26O3Si2/c1-11(2)12(13)14-9-8-10-17(6,7)15-16(3,4)5/h1,8-10H2,2-7H3",C12H26O3Si2,,,,,,NWBTXZPDTSKZJU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.210,242-047-1,18165-31-6,Ethoxysilane,ethoxysilane,CCO[SiH3],CCO[SiH3],"InChI=1/C2H8OSi/c1-2-3-4/h2H2,1,4H3",C2H8OSi,,,,,,CWAFVXWRGIEBPL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.211,242-048-7,18165-68-9,Diethoxysilane,diethoxysilane,CCO[SiH2]OCC,CCO[SiH2]OCC,"InChI=1/C4H12O2Si/c1-3-5-7-6-4-2/h3-4,7H2,1-2H3",C4H12O2Si,,,,,,ZXPDYFSTVHQQOI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.217,242-055-5,18171-14-7,(3-chloropropyl)methoxydimethylsilane,(3-chloropropyl)(methoxy)dimethylsilane,CO[Si](C)(C)CCCCl,CO[Si](C)(C)CCCCl,"InChI=1/C6H15ClOSi/c1-8-9(2,3)6-4-5-7/h4-6H2,1-3H3",C6H15ClOSi,,,,,,JTWDWVCNOLORBR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.221,242-059-7,18171-74-9,tert-butyltrichlorosilane,tert-butyl(trichloro)silane,CC(C)(C)[Si](Cl)(Cl)Cl,CC(C)(C)[Si](Cl)(Cl)Cl,"InChI=1/C4H9Cl3Si/c1-4(2,3)8(5,6)7/h1-3H3",C4H9Cl3Si,,,,,,MOOUPSHQAMJMSL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.226,242-064-4,18175-47-8,Potassium (Z)-docos-13-enoate,potassium docos-13-enoate,[K+].CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)[O-],[K+].CCCCCCCC\C=C/CCCCCCCCCCCC(=O)[O-],"InChI=1/C22H42O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h9-10H,2-8,11-21H2,1H3,(H,23,24);/q;+1/p-1",C22H42O2.K,,,,,,JEXMXRICZKBURS-KVVVOXFISA-M,,,,,,,,,,,
100.038.230,242-069-1,18181-70-9,Iodofenphos,"O-(2,5-dichloro-4-iodophenyl) O,O-dimethyl thiophosphate",COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl,COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl,"InChI=1/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3",C8H8Cl2IO3PS,,,,,,LFVLUOAHQIVABZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.971,234-082-6,10526-07-5,"3,3'-[m-phenylenebis(oxy)]dianiline","3,3'-[1,3-phenylenebis(oxy)]dianiline",Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1,Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1,"InChI=1/C18H16N2O2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16/h1-12H,19-20H2",C18H16N2O2,,,,,,DKKYOQYISDAQER-UHFFFAOYSA-N,,,,,,,,,,,
100.036.291,239-936-1,15833-80-4,"3,3-dimethylbutane-1,2,4-triol","3,3-dimethylbutane-1,2,4-triol",CC(C)(CO)C(O)CO,CC(C)(CO)C(O)CO,"InChI=1/C6H14O3/c1-6(2,4-8)5(9)3-7/h5,7-9H,3-4H2,1-2H3",C6H14O3,,,,,,SJTKQIPAACOOGS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.296,239-941-9,15834-75-0,Hexanitrosobenzene,hexanitrosobenzene,O=Nc1c(N=O)c(N=O)c(N=O)c(N=O)c1N=O,O=Nc1c(N=O)c(N=O)c(N=O)c(N=O)c1N=O,InChI=1/C6N6O6/c13-7-1-2(8-14)4(10-16)6(12-18)5(11-17)3(1)9-15,C6N6O6,,,,,,QJORNKIPCDPSFY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.298,239-944-5,15840-95-6,Cyclohexylmethyl isovalerate,cyclohexylmethyl 3-methylbutanoate,CC(C)CC(=O)OCC1CCCCC1,CC(C)CC(=O)OCC1CCCCC1,"InChI=1/C12H22O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,OPKFCIJVNFYFCT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.304,239-950-8,15844-87-8,"2-chloro-N,N-diethyl-3-oxobutyramide","2-chloro-N,N-diethyl-3-oxobutanamide",CCN(CC)C(=O)C(Cl)C(=O)C,CCN(CC)C(=O)C(Cl)C(=O)C,"InChI=1/C8H14ClNO2/c1-4-10(5-2)8(12)7(9)6(3)11/h7H,4-5H2,1-3H3",C8H14ClNO2,,,,,,SEWWCLPPLUYJOT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.305,239-951-3,15844-92-5,Zirconium stearate,zirconium(2+) dioctadecanoate,[Zr+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Zr+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O2.Zr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H36O2.xZr,,,,,,RYVJBRRWKMRXAV-UHFFFAOYSA-L,,,,,,,,,,,
100.036.314,239-961-8,15848-22-3,5-bromopentyl acetate,5-bromopentyl acetate,CC(=O)OCCCCCBr,CC(=O)OCCCCCBr,"InChI=1/C7H13BrO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3",C7H13BrO2,,,,,,JIHJLQWUVZUKCH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.377,259-834-0,55811-26-2,5-methoxy-3-methyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]benzoxazolium,"3-[2-{2-[(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)methylene]butylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate",C[n+]3c4cc(OC)ccc4oc3C=C(CC)C=C2Sc1ccccc1N2CCCS([O-])(=O)=O,C[n+]3c4cc(OC)ccc4oc3C=C(CC)C=C2Sc1ccccc1N2CCCS([O-])(=O)=O,"InChI=1/C24H26N2O5S2/c1-4-17(14-23-25(2)20-16-18(30-3)10-11-21(20)31-23)15-24-26(12-7-13-33(27,28)29)19-8-5-6-9-22(19)32-24/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3",C24H26N2O5S2,,,,,,BOFHDMZYLSGIHY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.378,259-835-6,55811-27-3,"3-ethyl-2-[3-[1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-5-phenylbenzoxazolium","4-{3-ethyl-2-[3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-6-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-1-yl}butane-1-sulfonate",FC(F)(F)c4ccc5N(CC)C(=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CCCCS([O-])(=O)=O)c5c4,FC(F)(F)c4ccc5N(CC)C(=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CCCCS([O-])(=O)=O)c5c4,"InChI=1/C32H32F3N3O4S/c1-3-36-26-17-16-25(32(33,34)35)22-27(26)38(19-8-9-20-43(39,40)41)30(36)13-10-14-31-37(4-2)28-21-24(15-18-29(28)42-31)23-11-6-5-7-12-23/h5-7,10-18,21-22H,3-4,8-9,19-20H2,1-2H3",C32H32F3N3O4S,,,,,,IULVLZZEJOWANV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.383,259-840-3,55823-85-3,"(E,E,E)-tris[(3,7-dimethyl-2,6-octadienyl)oxy]methylsilane","{tris[(3,7-dimethylocta-2,6-dien-1-yl)oxy]methyl}silane",CC(=CCC\\C(=C\\COC([SiH3])(OC\\C=C(/C)\\CCC=C(C)C)OC\\C=C(/C)\\CCC=C(C)C)\\C)C,CC(=CCC\C(=C\COC([SiH3])(OC\C=C(/C)\CCC=C(C)C)OC\C=C(/C)\CCC=C(C)C)\C)C,"InChI=1/C31H54O3Si/c1-25(2)13-10-16-28(7)19-22-32-31(35,33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h13-15,19-21H,10-12,16-18,22-24H2,1-9,35H3",C31H54O3Si,,,,,,GGROZWRGSRXIJC-YILJOUTGSA-N,,,,,,,,,,,
100.054.384,259-841-9,55827-50-4,"1-(3,5-dichlorophenyl)piperazine","1-(3,5-dichlorophenyl)piperazine",Clc1cc(Cl)cc(c1)N2CCNCC2,Clc1cc(Cl)cc(c1)N2CCNCC2,"InChI=1/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2",C10H12Cl2N2,,,,,,LISGMSBYRAXPJH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.391,259-849-2,55837-18-8,Butibufen,2-(4-isobutylphenyl)butanoic acid,CCC(C(=O)O)c1ccc(CC(C)C)cc1,CCC(C(=O)O)c1ccc(CC(C)C)cc1,"InChI=1/C14H20O2/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)",C14H20O2,,,,,,UULSXYSSHHRCQK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.395,259-853-4,55838-75-0,"D-Glucitol, 4-O-ß-d-galactopyranosyl-, dodecanoate",1-O-dodecanoyl-4-O-beta-D-galactopyranosyl-D-glucitol,CCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,CCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1/C24H46O12/c1-2-3-4-5-6-7-8-9-10-11-18(29)34-14-16(28)19(30)23(15(27)12-25)36-24-22(33)21(32)20(31)17(13-26)35-24/h15-17,19-28,30-33H,2-14H2,1H3",-,,,,,,ULOSQDCYHDNKKQ-LAGWMBQBSA-N,,,,,,,,,,,
100.054.399,259-858-1,55850-01-6,"1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium chloride","1,3,3-trimethyl-2-[methyl(phenyl)carbonohydrazonoyl]-3H-indolium chloride",[Cl-].C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,[Cl-].C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,"InChI=1/C19H22N3.ClH/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;/h5-14H,1-4H3;1H/q+1;/p-1",C19H22N3.Cl,,,,,,LBIIFZVMMKQPOY-UHFFFAOYSA-M,,,,,,,,,,,
100.054.400,259-859-7,55851-03-1,"1-amino-4,5-dihydroxy-8-[(4-methoxyphenyl)amino]anthraquinone","1-amino-4,5-dihydroxy-8-[(4-methoxyphenyl)amino]-9,10-anthraquinone",COc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(N)c4C(=O)c23)cc1,COc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(N)c4C(=O)c23)cc1,"InChI=1/C21H16N2O5/c1-28-11-4-2-10(3-5-11)23-13-7-9-15(25)19-17(13)20(26)16-12(22)6-8-14(24)18(16)21(19)27/h2-9,23-25H,22H2,1H3",C21H16N2O5,,,,,,FVDCIMLUEXXHPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.680,261-268-4,58470-73-8,"5-[6-benzoylbenz[cd]indol-2(1H)-ylidene]-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trione","5-(6-benzoylbenzo[cd]indol-2(1H)-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione",CN1C(=O)N(C)C(=O)C(=C2Nc3ccc(C(=O)c4ccccc4)c5cccc2c35)C1=O,CN1C(=O)N(C)C(=O)C(=C2Nc3ccc(C(=O)c4ccccc4)c5cccc2c35)C1=O,"InChI=1/C24H17N3O4/c1-26-22(29)19(23(30)27(2)24(26)31)20-16-10-6-9-14-15(11-12-17(25-20)18(14)16)21(28)13-7-4-3-5-8-13/h3-12,25H,1-2H3",C24H17N3O4,,,,,,MOCWOVLARTYTRK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.683,261-272-6,58473-41-9,"4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid","4-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzoic acid",Nc1ccc(Nc2ccc(cc2)C(=O)O)c3C(=O)c4ccccc4C(=O)c13,Nc1ccc(Nc2ccc(cc2)C(=O)O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C21H14N2O4/c22-15-9-10-16(23-12-7-5-11(6-8-12)21(26)27)18-17(15)19(24)13-3-1-2-4-14(13)20(18)25/h1-10,23H,22H2,(H,26,27)",C21H14N2O4,,,,,,FSQRTGQUTVRMNV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.684,261-273-1,58473-42-0,"3-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid","3-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzoic acid",Nc1ccc(Nc2cccc(c2)C(=O)O)c3C(=O)c4ccccc4C(=O)c13,Nc1ccc(Nc2cccc(c2)C(=O)O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C21H14N2O4/c22-15-8-9-16(23-12-5-3-4-11(10-12)21(26)27)18-17(15)19(24)13-6-1-2-7-14(13)20(18)25/h1-10,23H,22H2,(H,26,27)",C21H14N2O4,,,,,,HWSFYZXHGYNGMS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.689,261-278-9,58478-75-4,10-benzyl-10H-phenothiazine,10-benzyl-10H-phenothiazine,C(N1c2ccccc2Sc3ccccc13)c4ccccc4,C(N1c2ccccc2Sc3ccccc13)c4ccccc4,"InChI=1/C19H15NS/c1-2-8-15(9-3-1)14-20-16-10-4-6-12-18(16)21-19-13-7-5-11-17(19)20/h1-13H,14H2",C19H15NS,,,,,,HZZYXQYXUHBZJB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.175,260-711-9,57381-39-2,2-bromo-5-fluorobenzonitrile,2-bromo-5-fluorobenzonitrile,Fc1ccc(Br)c(c1)C#N,Fc1ccc(Br)c(c1)C#N,InChI=1/C7H3BrFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H,C7H3BrFN,,,,,,MDHNVHCZDCSTMS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.184,260-721-3,57403-35-7,1-chloro-4-(chloromethyl)-2-nitrobenzene,1-chloro-4-(chloromethyl)-2-nitrobenzene,[O-][N+](=O)c1cc(CCl)ccc1Cl,[O-][N+](=O)c1cc(CCl)ccc1Cl,"InChI=1/C7H5Cl2NO2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4H2",C7H5Cl2NO2,,,,,,NWDCIQHALIFWCA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.185,260-722-9,57410-95-4,"a-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexa-1,4-diene-1-acetic acid","[(tert-butoxycarbonyl)amino](cyclohexa-1,4-dien-1-yl)acetic acid",CC(C)(C)OC(=O)NC(C(=O)O)C1=CCC=CC1,CC(C)(C)OC(=O)NC(C(=O)O)C1=CCC=CC1,"InChI=1/C13H19NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-5,8,10H,6-7H2,1-3H3,(H,14,17)(H,15,16)",C13H19NO4,,,,,,VAJQVCXAZPZIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.187,260-725-5,57413-95-3,N-octyl-N'-[2-(octylamino)ethyl]ethylenediamine,"N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine",CCCCCCCCNCCNCCNCCCCCCCC,CCCCCCCCNCCNCCNCCCCCCCC,"InChI=1/C20H45N3/c1-3-5-7-9-11-13-15-21-17-19-23-20-18-22-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3",C20H45N3,,,,,,OXWFFWJKUNMMSO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.188,260-726-0,57414-16-1,Tetradecyl mercaptoacetate,tetradecyl sulfanylacetate,CCCCCCCCCCCCCCOC(=O)CS,CCCCCCCCCCCCCCOC(=O)CS,"InChI=1/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19/h19H,2-15H2,1H3",C16H32O2S,,,,,,LXDHBOICPCPCKD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.193,260-731-8,57417-94-4,"Diacrylic acid, diester with 3,3'-(isopropylidene)bis(p-phenyleneoxy)]di(propane-1,2-diol)","propane-2,2-diylbis(4,1-phenyleneoxy-2-hydroxypropane-3,1-diyl) bisacrylate",CC(C)(c1ccc(OCC(O)COC(=O)C=C)cc1)c2ccc(OCC(O)COC(=O)C=C)cc2,CC(C)(c1ccc(OCC(O)COC(=O)C=C)cc1)c2ccc(OCC(O)COC(=O)C=C)cc2,"InChI=1/C27H32O8/c1-5-25(30)34-17-21(28)15-32-23-11-7-19(8-12-23)27(3,4)20-9-13-24(14-10-20)33-16-22(29)18-35-26(31)6-2/h5-14,21-22,28-29H,1-2,15-18H2,3-4H3",C27H32O8,,,,,,VZTQQYMRXDUHDO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.197,260-737-0,57444-70-9,N-(4-chlorobenzoyl)-L-glutamic acid,N-(4-chlorobenzoyl)-L-glutamic acid,OC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O,OC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O,"InChI=1/C12H12ClNO5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)",C12H12ClNO5,,,,,,ZPXCXBRPCFSCHI-VIFPVBQESA-N,,,,,,,,,,,
100.055.204,260-744-9,57455-06-8,3-iodobenzyl alcohol,(3-iodophenyl)methanol,OCc1cccc(I)c1,OCc1cccc(I)c1,"InChI=1/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2",C7H7IO,,,,,,QGCCNWSXJHGUNL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.207,260-748-0,57461-34-4,Methyl L-asparaginate monohydrochloride,methyl L-asparaginate hydrochloride,Cl.COC(=O)[C@@H](N)CC(=O)N,Cl.COC(=O)[C@@H](N)CC(=O)N,"InChI=1/C5H10N2O3.ClH/c1-10-5(9)3(6)2-4(7)8;/h3H,2,6H2,1H3,(H2,7,8);1H",C5H10N2O3.ClH,,,,,,QOMQXHIJXUDQSS-DFWYDOINSA-N,,,,,,,,,,,
100.055.211,260-752-2,57470-78-7,"3-[3-acetyl-4-[3-[(tert-butyl)amino]-2-hydroxypropoxy]phenyl]-1,1-diethyluronium chloride",N-[({3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}amino)(hydroxy)methylene]-N-ethylethanaminium chloride,[Cl-].CC[N+](=C(O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C)CC,[Cl-].CC[N+](=C(O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C)CC,"InChI=1/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H",C20H33N3O4.ClH,,,,,,VKJHTUVLJYWAEY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.466,259-932-3,55985-32-5,"2-(benzylmethylamino)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate","2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C,COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C,"InChI=1/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3",C26H29N3O6,,,,,,ZBBHBTPTTSWHBA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.351,236-702-0,13465-61-7,Discandium trisulphate,discandium trisulphate,[Sc+3].[Sc+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Sc+3].[Sc+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Sc/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",H2O4S.2/3Sc,,,,,,QHYMYKHVGWATOS-UHFFFAOYSA-H,,,,,,,,,,,
100.033.365,236-717-2,13466-30-3,1-phenylethan-1-one hydrazone,(1-phenylethylidene)hydrazine,NN=C(C)c1ccccc1,NN=C(C)c1ccccc1,"InChI=1/C8H10N2/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,9H2,1H3",C8H10N2,,,,,,LEXOZHHIDPMMAC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.374,236-727-7,13469-97-1,Diytterbium trisulphate,diytterbium trisulphate,[Yb+2].[Yb+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Yb+2].[Yb+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Yb.4H/c3*1-5(2,3)4;;;;;;/h3*(H2,1,2,3,4);;;;;;/q;;;2*+2;;;;/p-6/r3H2O4S.2H2Yb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);2*1H2/q;;;2*+2/p-6",H2O4S.2/3Yb,,,,,,LIJMSXLXEHQJNV-UHFFFAOYSA-H,,,,,,,,,,,
100.034.877,238-381-2,14408-19-6,1-[2-(ethylphenylamino)ethyl]pyridinium chloride,1-{2-[ethyl(phenyl)amino]ethyl}pyridinium chloride,[Cl-].CCN(CC[n+]1ccccc1)c2ccccc2,[Cl-].CCN(CC[n+]1ccccc1)c2ccccc2,"InChI=1/C15H19N2.ClH/c1-2-17(15-9-5-3-6-10-15)14-13-16-11-7-4-8-12-16;/h3-12H,2,13-14H2,1H3;1H/q+1;/p-1",C15H19N2.Cl,,,,,,BKROMFFRLPSNBH-UHFFFAOYSA-M,,,,,,,,,,,
100.034.878,238-382-8,14408-20-9,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium chloride",[Cl-].[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[Cl-].[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H20Cl2N5O2.ClH/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;/h3-11,14-15H,2,12-13H2,1H3;1H/q+1;/p-1",C21H20Cl2N5O2.Cl,,,,,,LPOFSFJHFNJPBD-UHFFFAOYSA-M,,,,,,,,,,,
100.034.880,238-384-9,14408-23-2,"7-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid","7-[{4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",Clc2nc(Nc1cccc(c1)S(O)(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O,Clc2nc(Nc1cccc(c1)S(O)(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O,"InChI=1/C27H22ClN7O11S3/c1-35(27-31-25(28)30-26(32-27)29-15-4-3-5-18(12-15)47(37,38)39)16-6-8-19-14(10-16)11-22(49(43,44)45)23(24(19)36)34-33-20-9-7-17(46-2)13-21(20)48(40,41)42/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32)",C27H22ClN7O11S3,,,,,,GGIZVPPQIWBRQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.888,238-393-8,14425-64-0,1-(2-bromoethyl)-4-methoxybenzene,1-(2-bromoethyl)-4-methoxybenzene,COc1ccc(CCBr)cc1,COc1ccc(CCBr)cc1,"InChI=1/C9H11BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3",C9H11BrO,,,,,,OXHPTABOQVHKLN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.890,238-395-9,14426-20-1,2-(diethylamino)ethanol hydrochloride,2-(diethylamino)ethanol hydrochloride,Cl.CCN(CC)CCO,Cl.CCN(CC)CCO,"InChI=1/C6H15NO.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H",C6H15NO.ClH,,,,,,DBQUKJMNGUJRFI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.893,238-399-0,14427-53-3,Methyl 3-oxohexadecanoate,methyl 3-oxohexadecanoate,CCCCCCCCCCCCCC(=O)CC(=O)OC,CCCCCCCCCCCCCC(=O)CC(=O)OC,"InChI=1/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h3-15H2,1-2H3",C17H32O3,,,,,,OEEDRMFBAHHVQI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.894,238-400-4,14428-08-1,"Bis[bis(2-ethylhexyl)dithiocarbamato-S,S']nickel",nickel(2+) bis[bis(2-ethylhexyl)dithiocarbamate],CCCCC(CC)CN(CC(CC)CCCC)C(=S)S[Ni]SC(=S)N(CC(CC)CCCC)CC(CC)CCCC,CCCCC(CC)CN(CC(CC)CCCC)C(=S)S[Ni]SC(=S)N(CC(CC)CCCC)CC(CC)CCCC,"InChI=1/2C17H35NS2.Ni/c2*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h2*15-16H,5-14H2,1-4H3,(H,19,20);/q;;+2/p-2/rC34H68N2NiS4/c1-9-17-21-29(13-5)25-35(26-30(14-6)22-18-10-2)33(38)40-37-41-34(39)36(27-31(15-7)23-19-11-3)28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3",C34H68N2NiS4,,,,,,GJAIWWXDQOUKDC-UHFFFAOYSA-L,,,,,,,,,,,
100.034.897,238-404-6,14432-16-7,2-chloro-4-nitropyridine 1-oxide,2-chloro-4-nitropyridine 1-oxide,[O-][N+](=O)c1cc[n+]([O-])c(Cl)c1,[O-][N+](=O)c1cc[n+]([O-])c(Cl)c1,InChI=1/C5H3ClN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H,C5H3ClN2O3,,,,,,YSTCMHHKDOVZDA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.376,241-129-4,17070-45-0,6-chloro-9-[[3-[(2-chloroethyl)amino]propyl]amino]-2-methoxyacridine dihydrochloride,"N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine dihydrochloride",Cl.Cl.COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1,Cl.Cl.COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1,"InChI=1/C19H21Cl2N3O.2ClH/c1-25-14-4-6-17-16(12-14)19(23-9-2-8-22-10-7-20)15-5-3-13(21)11-18(15)24-17;;/h3-6,11-12,22H,2,7-10H2,1H3,(H,23,24);2*1H",C19H21Cl2N3O.2ClH,,,,,,LMEMIKWTNPWYMI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.377,241-131-5,17070-70-1,Chloro(3-isocyanatopropyl)dimethylsilane,chloro(3-isocyanatopropyl)dimethylsilane,C[Si](C)(Cl)CCCN=C=O,C[Si](C)(Cl)CCCN=C=O,"InChI=1/C6H12ClNOSi/c1-10(2,7)5-3-4-8-6-9/h3-5H2,1-2H3",C6H12ClNOSi,,,,,,LQJWIXKJNVDYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.972,234-083-1,10526-15-5,"Bis(2-ethylhexyl) 3,3'-thiodipropionate","bis(2-ethylhexyl) 3,3'-sulfanediyldipropanoate",CCCCC(CC)COC(=O)CCSCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCSCCC(=O)OCC(CC)CCCC,"InChI=1/C22H42O4S/c1-5-9-11-19(7-3)17-25-21(23)13-15-27-16-14-22(24)26-18-20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3",C22H42O4S,,,,,,NKNLSBYMGKTWDT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.982,234-094-1,10531-50-7,(R)-a-(trifluoromethyl)benzyl alcohol,"2,2,2-trifluoro-1-phenylethanol",O[C@H](c1ccccc1)C(F)(F)F,O[C@H](c1ccccc1)C(F)(F)F,"InChI=1/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H",C8H7F3O,,,,,,VNOMEAQPOMDWSR-SSDOTTSWSA-N,,,,,,,,,,,
100.030.986,234-098-3,10534-30-2,"4-ethyl-a,<U+03B3>,<U+03B3>-trimethylcyclohexanepropanol",4-(4-ethylcyclohexyl)-4-methylpentan-2-ol,CCC1CCC(CC1)C(C)(C)CC(C)O,CCC1CCC(CC1)C(C)(C)CC(C)O,"InChI=1/C14H28O/c1-5-12-6-8-13(9-7-12)14(3,4)10-11(2)15/h11-13,15H,5-10H2,1-4H3",C14H28O,,,,,,ZFKUKDNUHCDBFK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.987,234-099-9,10534-31-3,"4-isopropyl-a,<U+03B3>,<U+03B3>-trimethylcyclohexanepropanol",4-(4-isopropylcyclohexyl)-4-methylpentan-2-ol,CC(O)CC(C)(C)C1CCC(CC1)C(C)C,CC(O)CC(C)(C)C1CCC(CC1)C(C)C,"InChI=1/C15H30O/c1-11(2)13-6-8-14(9-7-13)15(4,5)10-12(3)16/h11-14,16H,6-10H2,1-5H3",C15H30O,,,,,,SYRLDJWPKGBIER-UHFFFAOYSA-N,,,,,,,,,,,
100.030.989,234-101-8,10534-59-5,Tetrabutylammonium acetate,"N,N,N-tributylbutan-1-aminium acetate",CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-],CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-],"InChI=1/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C16H36N.C2H3O2,,,,,,MCZDHTKJGDCTAE-UHFFFAOYSA-M,,,,,,,,,,,
100.030.995,234-108-6,10535-87-2,[1-(4-ethoxyphenyl)butyl]diethylammonium chloride,"1-(4-ethoxyphenyl)-N,N-diethylbutan-1-aminium chloride",[Cl-].CCCC([NH+](CC)CC)c1ccc(OCC)cc1,[Cl-].CCCC([NH+](CC)CC)c1ccc(OCC)cc1,"InChI=1/C16H27NO.ClH/c1-5-9-16(17(6-2)7-3)14-10-12-15(13-11-14)18-8-4;/h10-13,16H,5-9H2,1-4H3;1H",C22H31NO.ClH,,,,,,MKGBTAMBMLHTJG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.998,234-111-2,10537-86-7,"4-hydroxy-3,5-bis(isopropyl)benzaldehyde","4-hydroxy-3,5-diisopropylbenzaldehyde",CC(C)c1cc(C=O)cc(C(C)C)c1O,CC(C)c1cc(C=O)cc(C(C)C)c1O,"InChI=1/C13H18O2/c1-8(2)11-5-10(7-14)6-12(9(3)4)13(11)15/h5-9,15H,1-4H3",C13H18O2,,,,,,WVGDLTQPAQUBMO-UHFFFAOYSA-N,,,,,,,,,,,
100.031.125,234-250-9,11019-08-2,"(5R-trans)-5,6-dihydro-6-[(2,3,4,6-tetra-O-acetyl-ß-D-glucopyranosyl)oxy]-5-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one","1-oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside",CC(=O)OC[C@H]1O[C@@H](OC2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@@H](OC2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C24H28O13/c1-6-15-16-7-8-30-22(29)17(16)9-32-23(15)37-24-21(35-14(5)28)20(34-13(4)27)19(33-12(3)26)18(36-24)10-31-11(2)25/h6-7,9,15,18-21,23-24H,1,8,10H2,2-5H3",C24H28O13,,,,,,DQTBHYIUQDHMTL-OHVCJDIOSA-N,,,,,,,,,,,
100.031.135,234-261-9,11030-31-2,Lanatoside D,"3-{[beta-D-glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14,16-trihydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)OC5CC[C@@]6(C)C(CC[C@@H]7[C@@H]6CC(O)[C@]8(C)[C@H](C(O)CC78O)C9=CC(=O)OC9)C5,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)OC5CC[C@@]6(C)C(CC[C@@H]7[C@@H]6CC(O)[C@]8(C)[C@H](C(O)CC78O)C9=CC(=O)OC9)C5,"InChI=1/C49H76O21/c1-20-43(68-37-15-30(53)44(21(2)63-37)69-38-16-32(65-23(4)51)45(22(3)64-38)70-46-42(59)41(58)40(57)33(18-50)67-46)29(52)14-36(62-20)66-26-9-10-47(5)25(12-26)7-8-27-28(47)13-34(55)48(6)39(24-11-35(56)61-19-24)31(54)17-49(27,48)60/h11,20-22,25-34,36-46,50,52-55,57-60H,7-10,12-19H2,1-6H3",C49H76O21,,,,,,CMJNCFRBMBTRSY-AAEJKYJISA-N,,,,,,,,,,,
100.031.136,234-262-4,11031-45-1,Santalol,2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)pent-2-en-1-ol,CC(=CCCC1(C)C2CCC(C2)C1=C)CO,CC(=CCCC1(C)C2CCC(C2)C1=C)CO,"InChI=1/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3",C15H24O,,,,,,OJYKYCDSGQGTRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.138,234-265-0,11032-50-1,Vitamin PP,nicotinamide,NC(=O)c1cccnc1,NC(=O)c1cccnc1,"InChI=1/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",-,,,,,,DFPAKSUCGFBDDF-UHFFFAOYSA-N,Positive,ML005101,[M+H]+,HCD50,123.0556:80.0498:96.0447,MetaboLights,,,,,
100.034.839,238-339-3,14367-46-5,N-ethyl-p-methoxy-a-methylphenethylamine,N-ethyl-1-(4-methoxyphenyl)propan-2-amine,CCNC(C)Cc1ccc(OC)cc1,CCNC(C)Cc1ccc(OC)cc1,"InChI=1/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3",C12H19NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7479,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.839,USBWBBAUWVUJLA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.840,238-340-9,14368-49-1,4-nitrobenzenediazonium,4-nitrobenzenediazonium,[O-][N+](=O)c1ccc(cc1)[N+]#N,[O-][N+](=O)c1ccc(cc1)[N+]#N,InChI=1/C6H4N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4H/q+1,C6H4N3O2,,,,,,ICMFHHGKLRTCBM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.841,238-341-4,14370-74-2,Ethyl 3-hydroxy-1H-indole-2-carboxylate,ethyl 3-hydroxy-1H-indole-2-carboxylate,CCOC(=O)c1[nH]c2ccccc2c1O,CCOC(=O)c1[nH]c2ccccc2c1O,"InChI=1/C11H11NO3/c1-2-15-11(14)9-10(13)7-5-3-4-6-8(7)12-9/h3-6,12-13H,2H2,1H3",C11H11NO3,,,,,,XSHRJOVZKKCTIU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.406,259-866-5,55859-86-4,Gadolinium trisodium bis(phosphate),gadolinium trisodium bis(phosphate),[Na+].[Na+].[Na+].[Gd+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Gd+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Gd.3Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6",Gd.2H3O4P.3Na,,,,,,AOFOLCFFFKNBON-UHFFFAOYSA-H,,,,,,,,,,,
100.054.416,259-877-5,55879-93-1,"1-[[4-([1,1'-biphenyl]-4-ylcarbonyl)phenyl]amino]anthraquinone","1-{[4-(biphenyl-4-ylcarbonyl)phenyl]amino}-9,10-anthraquinone",O=C(c1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1)c5ccc(cc5)c6ccccc6,O=C(c1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1)c5ccc(cc5)c6ccccc6,"InChI=1/C33H21NO3/c35-31(23-15-13-22(14-16-23)21-7-2-1-3-8-21)24-17-19-25(20-18-24)34-29-12-6-11-28-30(29)33(37)27-10-5-4-9-26(27)32(28)36/h1-20,34H",C33H21NO3,,,,,,XTWMLXVGQRVEMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.419,259-880-1,55881-96-4,"Decahydro-2-hydroxy-2,5,5,8a-tetramethylnaphthalene-1-ethanol","1-(2-hydroxyethyl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol",CC1(C)CCCC2(C)C(CCO)C(C)(O)CCC12,CC1(C)CCCC2(C)C(CCO)C(C)(O)CCC12,"InChI=1/C16H30O2/c1-14(2)8-5-9-15(3)12(14)6-10-16(4,18)13(15)7-11-17/h12-13,17-18H,5-11H2,1-4H3",C16H30O2,,,,,,AIALTZSQORJYNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.421,259-882-2,55897-64-8,"2-isopropyl-2,3-dimethylbutyronitrile","2-isopropyl-2,3-dimethylbutanenitrile",CC(C)C(C)(C#N)C(C)C,CC(C)C(C)(C#N)C(C)C,"InChI=1/C9H17N/c1-7(2)9(5,6-10)8(3)4/h7-8H,1-5H3",C9H17N,,,,,,XSQHUYDRSDBCHN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.310,236-656-1,13457-18-6,Pyrazophos,"ethyl 2-[(diethoxyphosphorothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate",CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C,CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C,"InChI=1/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3",C14H20N3O5PS,,,,,,JOOMJVFZQRQWKR-UHFFFAOYSA-N,Positive,SM847502;UF402001|UF402002|UF402003|UF402004,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,374.0934:222.0872:194.056;194.0561:222.0874:176.0456|194.0561:176.0456:148.0506|346.0627:222.0876:238.0648|346.0625:222.0875:238.0647,CASMI_2016;UFZ,,,,,
100.033.312,236-658-2,13458-81-6,4-[(2-chloro-4-nitrophenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one,"4-[(2-chloro-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c3ccc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(Cl)c3,[O-][N+](=O)c3ccc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(Cl)c3,"InChI=1/C16H12ClN5O3/c1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-14-8-7-12(22(24)25)9-13(14)17/h2-9,15H,1H3",C16H12ClN5O3,,,,,,DQQZSKXVLOLAOF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.314,236-660-3,13460-96-3,"1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione","1-(2,3-dihydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(CC(O)CO)C(=O)c2c1ncn2C,CN1C(=O)N(CC(O)CO)C(=O)c2c1ncn2C,"InChI=1/C10H14N4O4/c1-12-5-11-8-7(12)9(17)14(3-6(16)4-15)10(18)13(8)2/h5-6,15-16H,3-4H2,1-2H3",C10H14N4O4,,,,,,RRBSZTYIWIHPST-UHFFFAOYSA-N,,,,,,,,,,,
100.033.321,236-668-7,13463-28-0,"(S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside",CC1OC(OCC2OC(Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O,CC1OC(OCC2OC(Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3",C27H32O15,,,,,,OMQADRGFMLGFJF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.322,236-669-2,13463-39-3,Tetracarbonylnickel,-,[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+],[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+],InChI=1/4CO.Ni/c4*1-2;/q;;;;+2,C4NiO4,,,,,,AWDHUGLHGCVIEG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.326,236-673-4,13463-64-4,1-[[3-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-2-naphthol,1-({3-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)-2-naphthol,Cc4ccccc4N=Nc1ccc(cc1C)N=Nc2c3ccccc3ccc2O,Cc4ccccc4N=Nc1ccc(cc1C)N=Nc2c3ccccc3ccc2O,"InChI=1/C24H20N4O/c1-16-7-3-6-10-21(16)26-27-22-13-12-19(15-17(22)2)25-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3",C24H20N4O,,,,,,MADKRIPAQOHGQU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.333,236-681-8,13464-37-4,Trisodium arsenite,trisodium arsenite,[Na+].[Na+].[Na+].[O-][As]([O-])[O-],[Na+].[Na+].[Na+].[O-][As]([O-])[O-],InChI=1/AsO3.3Na/c2-1(3)4;;;/q-3;3*+1,AsH3O3.3Na,,,,,,FJDHVPHQDPJCHK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.335,236-683-9,13464-44-3,Zinc arsenate,zinc arsenate,[Zn+2].[Zn+2].[Zn+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],[Zn+2].[Zn+2].[Zn+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],"InChI=1/2AsH3O4.3Zn/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",AsH3O4.3/2Zn,,,,,,LHBPLFWXEXNIJU-UHFFFAOYSA-H,,,,,,,,,,,
100.033.341,236-690-7,13464-97-6,Hydrazinium nitrate,diazanium nitrate,N[NH3+].[O-][N+](=O)[O-],N[NH3+].[O-][N+](=O)[O-],InChI=1/H4N2.NO3/c1-2;2-1(3)4/h1-2H2;/q;-1/p+1,H4N2.HNO3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5184,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.341,RAESLDWEUUSRLO-UHFFFAOYSA-O,,,,,,,,,,,
100.033.347,236-697-5,13465-52-6,Ruthenium tetrachloride,ruthenium tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2],[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2],InChI=1/4ClH.2Ru/h4*1H;;/q;;;;2*+2/p-4,Cl4Ru,,,,,,KWJAPGRJSSFMJJ-UHFFFAOYSA-J,,,,,,,,,,,
100.057.110,262-841-1,61556-43-2,"Sodium 2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate","sodium 2-{[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=NC2C(\\C)=N/N(c1c(Cl)cccc1C)C2=O,[Na+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=NC2C(\C)=N/N(c1c(Cl)cccc1C)C2=O,"InChI=1/C21H17ClN4O4S.Na/c1-12-6-5-9-16(22)19(12)26-21(27)18(13(2)25-26)24-23-17-11-10-14-7-3-4-8-15(14)20(17)31(28,29)30;/h3-11,18H,1-2H3,(H,28,29,30);/q;+1/p-1",C21H17ClN4O4S.Na,,,,,,LVSLGOCSRNMJSU-UHFFFAOYSA-M,,,,,,,,,,,
100.057.112,262-843-2,61563-02-8,"3,4-dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde","5-(oxiran-2-ylmethoxy)-3,4-dihydroisoquinoline-2(1H)-carbaldehyde",O=CN1CCc2c(C1)cccc2OCC3CO3,O=CN1CCc2c(C1)cccc2OCC3CO3,"InChI=1/C13H15NO3/c15-9-14-5-4-12-10(6-14)2-1-3-13(12)17-8-11-7-16-11/h1-3,9,11H,4-8H2",C13H15NO3,,,,,,BDUNUNCKIPQCGF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.118,262-850-0,61565-23-9,(E)-(1-ethoxyethoxy)tridec-4-en-7-yne,1-(1-ethoxyethoxy)tridec-4-en-7-yne,CCCCCC#CC\\C=C\\CCCOC(C)OCC,CCCCCC#CC\C=C\CCCOC(C)OCC,"InChI=1/C17H30O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-17(3)18-5-2/h12-13,17H,4-8,11,14-16H2,1-3H3",C17H30O2,,,,,,CJVKIEPXYQXRFT-OUKQBFOZSA-N,,,,,,,,,,,
100.057.121,262-853-7,61566-34-5,Methyl 2-(4-isopropylphenyl)propionate,methyl 2-(4-isopropylphenyl)propanoate,COC(=O)C(C)c1ccc(cc1)C(C)C,COC(=O)C(C)c1ccc(cc1)C(C)C,"InChI=1/C13H18O2/c1-9(2)11-5-7-12(8-6-11)10(3)13(14)15-4/h5-10H,1-4H3",C14H20O2,,,,,,LIXMHBWVSOJJJR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.122,262-854-2,61570-90-9,Tioxidazole,"methyl (6-propoxy-1,3-benzothiazol-2-yl)carbamate",CCCOc1ccc2nc(NC(=O)OC)sc2c1,CCCOc1ccc2nc(NC(=O)OC)sc2c1,"InChI=1/C12H14N2O3S/c1-3-6-17-8-4-5-9-10(7-8)18-11(13-9)14-12(15)16-2/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)",C12H14N2O3S,,,,,,HLLICFJUWSZHRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.757,264-651-4,64070-13-9,Dibekacin sulphate (1:1),-,NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.[O-]S(=O)(=O)[O-],NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.[O-]S(=O)(=O)[O-],"InChI=1/C18H37N5O8.H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;(H2,1,2,3,4)/p-2",C18H37N5O8.H2O4S,,,,,,GXKUKBCVZHBTJW-USXQJGOZSA-L,,,,,,,,,,,
100.058.763,264-658-2,64076-52-4,4-hydroxyphenylmalonic acid,(4-hydroxyphenyl)malonic acid,OC(=O)C(C(=O)O)c1ccc(O)cc1,OC(=O)C(C(=O)O)c1ccc(O)cc1,"InChI=1/C9H8O5/c10-6-3-1-5(2-4-6)7(8(11)12)9(13)14/h1-4,7,10H,(H,11,12)(H,13,14)",C9H8O5,,,,,,RXVOSJKRWDTBBH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.765,264-660-3,64084-40-8,Hexadecyl octadecyl phthalate,hexadecyl octadecyl phthalate,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C42H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34-38-46-42(44)40-36-32-31-35-39(40)41(43)45-37-33-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30,33-34,37-38H2,1-2H3",C42H74O4,,,,,,BGJQSDSYIDKLTR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.382,267-540-9,67875-25-6,Disodium 2-[(2-amino-5-hydroxy-7-sulphonato-1-naphthyl)azo]-5-nitrobenzoate,disodium 2-[(2-amino-5-hydroxy-7-sulfonato-1-naphthyl)diazenyl]-5-nitrobenzoate,[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc2c(N)ccc1c2cc(cc1O)S([O-])(=O)=O)c(c3)C([O-])=O,[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc2c(N)ccc1c2cc(cc1O)S([O-])(=O)=O)c(c3)C([O-])=O,"InChI=1/C17H12N4O8S.2Na/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24;;/h1-7,22H,18H2,(H,23,24)(H,27,28,29);;/q;2*+1/p-2",C17H12N4O8S.2Na,,,,,,KRKMNMJMYIXXNO-UHFFFAOYSA-L,,,,,,,,,,,
100.061.384,267-543-5,67875-27-8,Sodium 3-[[ethyl[4-[[4-(phenylazo)phenyl]azo]phenyl]amino]methyl]benzenesulphonate,sodium 3-{[ethyl(4-{[4-(phenyldiazenyl)phenyl]diazenyl}phenyl)amino]methyl}benzenesulfonate,[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c4ccc(N=Nc2ccc(cc2)N=Nc3ccccc3)cc4,[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c4ccc(N=Nc2ccc(cc2)N=Nc3ccccc3)cc4,"InChI=1/C27H25N5O3S.Na/c1-2-32(20-21-7-6-10-27(19-21)36(33,34)35)26-17-15-25(16-18-26)31-30-24-13-11-23(12-14-24)29-28-22-8-4-3-5-9-22;/h3-19H,2,20H2,1H3,(H,33,34,35);/q;+1/p-1",C27H25N5O3S.Na,,,,,,NXCGLXZMZCZBAO-UHFFFAOYSA-M,,,,,,,,,,,
100.061.390,267-549-8,67878-71-1,"2-chloro-N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-4,4-dimethyl-3-oxovaleramide","2-chloro-N-{2-chloro-5-[(hexadecylsulfonyl)amino]phenyl}-4,4-dimethyl-3-oxopentanamide",CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C(Cl)C(=O)C(C)(C)C)c1,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C(Cl)C(=O)C(C)(C)C)c1,"InChI=1/C29H48Cl2N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-38(36,37)33-23-19-20-24(30)25(22-23)32-28(35)26(31)27(34)29(2,3)4/h19-20,22,26,33H,5-18,21H2,1-4H3,(H,32,35)",C29H48Cl2N2O4S,,,,,,HDEQFLUBPSWEDN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.392,267-551-9,67883-54-9,"4-methyl-1-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1H-1,2,4-triazolium methyl sulphate","4-methyl-1-(3-oxo-3H-benzo[f]chromen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",COS(=O)(=O)[O-].CN1C[NH+](N=C1)C2=Cc3c(OC2=O)ccc4ccccc34,COS(=O)(=O)[O-].CN1C[NH+](N=C1)C2=Cc3c(OC2=O)ccc4ccccc34,"InChI=1/C16H13N3O2.CH4O4S/c1-18-9-17-19(10-18)14-8-13-12-5-3-2-4-11(12)6-7-15(13)21-16(14)20;1-5-6(2,3)4/h2-9H,10H2,1H3;1H3,(H,2,3,4)",C16H12N3O2.CH3O4S,,,,,,AYNBKCZAEFIFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.378,241-132-0,17071-47-5,1-(isobutoxy)butane,1-isobutoxybutane,CCCCOCC(C)C,CCCCOCC(C)C,"InChI=1/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3",C8H18O,,,,,,VDHBXQMYKGNZRP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.391,241-146-7,17086-13-4,Hydrogen (formato-O)triiodobismuthate(1-),(formyloxy)(triiodo)bismuthonium,I[Bi](I)(I)OC=O,I[Bi](I)(I)OC=O,"InChI=1/CH2O2.Bi.3HI/c2-1-3;;;;/h1H,(H,2,3);;3*1H/q;+5;;;/p-4/rCHBiI3O2/c3-2(4,5)7-1-6/h1H/q+1",CHBiI3O2.H,,,,,,IRAHOHPFKJGYKP-UHFFFAOYSA-J,,,,,,,,,,,
100.037.392,241-147-2,17087-36-4,"2-(1,2,3,4-tetrahydroxybutyl)thiazolidine-4-carboxylic acid","2-(1,2,3,4-tetrahydroxybutyl)-1,3-thiazolidine-4-carboxylic acid",OCC(O)C(O)C(O)C1NC(CS1)C(=O)O,OCC(O)C(O)C(O)C1NC(CS1)C(=O)O,"InChI=1/C8H15NO6S/c10-1-4(11)5(12)6(13)7-9-3(2-16-7)8(14)15/h3-7,9-13H,1-2H2,(H,14,15)",C8H15NO6S,,,,,,AGZXTDUDXXPCMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.395,241-150-9,17088-28-7,"Diethyl 3,3'-(1,4-phenylene)bisacrylate","diethyl 3,3'-(1,4-phenylene)bisacrylate",CCOC(=O)\\C=C\\c1ccc(\\C=C\\C(=O)OCC)cc1,CCOC(=O)\C=C\c1ccc(\C=C\C(=O)OCC)cc1,"InChI=1/C16H18O4/c1-3-19-15(17)11-9-13-5-7-14(8-6-13)10-12-16(18)20-4-2/h5-12H,3-4H2,1-2H3",C16H18O4,,,,,,QYGWZBFQWUBYAT-WGDLNXRISA-N,,,,,,,,,,,
100.037.396,241-151-4,17090-31-2,4-(acryloylamino)benzamide,4-(acryloylamino)benzamide,NC(=O)c1ccc(NC(=O)C=C)cc1,NC(=O)c1ccc(NC(=O)C=C)cc1,"InChI=1/C10H10N2O2/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h2-6H,1H2,(H2,11,14)(H,12,13)",C10H10N2O2,,,,,,XNZARJWTVPTCFX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.399,241-155-6,17090-93-6,"L-aspartic acid, sodium salt",sodium 2-amino-3-carboxypropanoate,[Na+].N[C@@H](CC(=O)O)C(=O)[O-],[Na+].N[C@@H](CC(=O)O)C(=O)[O-],"InChI=1/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1",C4H7NO4.xNa,,,,,,WTWSHHITWMVLBX-DKWTVANSSA-M,,,,,,,,,,,
100.037.406,241-162-4,17094-34-7,"Ethyl 4,4-dimethyl-3-oxovalerate","ethyl 4,4-dimethyl-3-oxopentanoate",CCOC(=O)CC(=O)C(C)(C)C,CCOC(=O)CC(=O)C(C)(C)C,"InChI=1/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3",C9H16O3,,,,,,VUYNTIDSHCJIKF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.407,241-164-5,17095-24-8,"Tetrasodium 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","tetrasodium 4-amino-5-hydroxy-3,6-bis[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)c4O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)c4O)S([O-])(=O)=O,"InChI=1/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4",C26H25N5O19S6.4Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15197,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.407,HFIYIRIMGZMCPC-UHFFFAOYSA-J,,,,,,,,,,,
100.037.408,241-165-0,17096-07-0,"3-[3,3,3-trimethyl-1,1-bis[(trimethylsilyl)oxy]disiloxanyl]propyl methacrylate","3-{3,3,3-trimethyl-1,1-bis[(trimethylsilyl)oxy]disiloxanyl}propyl methacrylate",CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C16H38O5Si4/c1-15(2)16(17)18-13-12-14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h1,12-14H2,2-11H3",C16H38O5Si4,,,,,,BESKSSIEODQWBP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.418,241-176-0,17103-66-1,Lithium gallate,"lithium 3,4,5-trihydroxybenzoate",[Li+].Oc1cc(cc(O)c1O)C(=O)[O-],[Li+].Oc1cc(cc(O)c1O)C(=O)[O-],"InChI=1/C7H6O5.Li/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1",C7H6O5.Li,,,,,,MNKMDLVKGZBOEW-UHFFFAOYSA-M,,,,,,,,,,,
100.036.372,240-026-1,15888-38-7,"5'-acetyl-2',3'-isopropylenadenosine","9-(5-O-acetyl-2,3-O-isopropylidenepentofuranosyl)-9H-purin-6-amine",CC(=O)OCC1OC(C2OC(C)(C)OC12)n3cnc4c(N)ncnc34,CC(=O)OCC1OC(C2OC(C)(C)OC12)n3cnc4c(N)ncnc34,"InChI=1/C15H19N5O5/c1-7(21)22-4-8-10-11(25-15(2,3)24-10)14(23-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14H,4H2,1-3H3,(H2,16,17,18)",C15H19N5O5,,,,,,AGPPMENETHBDES-UHFFFAOYSA-N,,,,,,,,,,,
100.036.374,240-028-2,15890-25-2,"Tris(dipentyldithiocarbamato-S,S')antimony","3-[(dipentylcarbamothioyl)sulfanyl]-N,N,6-tripentyl-1,5-dithioxo-2,4-dithia-6-aza-3-stibaundecan-1-amine",CCCCCN(CCCCC)C(=S)S[Sb](SC(=S)N(CCCCC)CCCCC)SC(=S)N(CCCCC)CCCCC,CCCCCN(CCCCC)C(=S)S[Sb](SC(=S)N(CCCCC)CCCCC)SC(=S)N(CCCCC)CCCCC,"InChI=1/3C11H23NS2.Sb/c3*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h3*3-10H2,1-2H3,(H,13,14);/q;;;+3/p-3/rC33H66N3S6Sb/c1-7-13-19-25-34(26-20-14-8-2)31(37)40-43(41-32(38)35(27-21-15-9-3)28-22-16-10-4)42-33(39)36(29-23-17-11-5)30-24-18-12-6/h7-30H2,1-6H3",C33H66N3S6Sb,,,,,,ACNHBJQDDXQFAT-UHFFFAOYSA-K,,,,,,,,,,,
100.037.254,240-996-6,16930-95-3,Ethyl hept-2-ynoate,ethyl hept-2-ynoate,CCCCC#CC(=O)OCC,CCCCC#CC(=O)OCC,"InChI=1/C9H14O2/c1-3-5-6-7-8-9(10)11-4-2/h3-6H2,1-2H3",C9H14O2,,,,,,GDCQMGYMFGPMCX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.851,238-352-4,14379-54-5,"N2,N6-bis(1-oxododecyl)-L-lysine","N~2~,N~6~-didodecanoyl-L-lysine",CCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCC)C(=O)O,CCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCC)C(=O)O,"InChI=1/C30H58N2O4/c1-3-5-7-9-11-13-15-17-19-24-28(33)31-26-22-21-23-27(30(35)36)32-29(34)25-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H,31,33)(H,32,34)(H,35,36)",C30H58N2O4,,,,,,ZQGOIDUGPJSGNW-MHZLTWQESA-N,,,,,,,,,,,
100.034.852,238-354-5,14379-56-7,N-(1-oxododecyl)-L-serine,N-dodecanoyl-L-serine,CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O,CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O,"InChI=1/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-11-14(18)16-13(12-17)15(19)20/h13,17H,2-12H2,1H3,(H,16,18)(H,19,20)",C15H29NO4,,,,,,XGFQVJQXCLZRFH-ZDUSSCGKSA-N,,,,,,,,,,,
100.034.855,238-357-1,14387-17-8,"3,5-di-tert-butyl-4-hydroxybenzyl acetate","3,5-di-tert-butyl-4-hydroxybenzyl acetate",CC(=O)OCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CC(=O)OCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C17H26O3/c1-11(18)20-10-12-8-13(16(2,3)4)15(19)14(9-12)17(5,6)7/h8-9,19H,10H2,1-7H3",C17H26O3,,,,,,UJQUIYGYEMWYBS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.863,238-366-0,14401-10-6,"N6-(2,4-dinitrophenyl)-L-lysine monohydrochloride","N~6~-(2,4-dinitrophenyl)lysine hydrochloride",Cl.N[C@@H](CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,Cl.N[C@@H](CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C12H16N4O6.ClH/c13-9(12(17)18)3-1-2-6-14-10-5-4-8(15(19)20)7-11(10)16(21)22;/h4-5,7,9,14H,1-3,6,13H2,(H,17,18);1H",C12H16N4O6.ClH,,,,,,VDVXDUOPLKVMMM-FVGYRXGTSA-N,,,,,,,,,,,
100.034.864,238-367-6,14401-91-3,2-methylpyridinium chloride,2-methylpyridinium chloride,[Cl-].Cc1cccc[nH+]1,[Cl-].Cc1cccc[nH+]1,"InChI=1/C6H7N.ClH/c1-6-4-2-3-5-7-6;/h2-5H,1H3;1H",C6H7N.ClH,,,,,,OMSBSIXAZZRIRW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.866,238-369-7,14402-50-7,Dodecane-2-thiol,dodecane-2-thiol,CCCCCCCCCCC(C)S,CCCCCCCCCCC(C)S,"InChI=1/C12H26S/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3",C12H26S,,,,,,UROXMPKAGAWKPP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.035,260-557-2,57090-94-5,"6-(1-cyclohexen-1-yl)-1,4-dioxaspiro[4.5]decane","6-cyclohex-1-en-1-yl-1,4-dioxaspiro[4.5]decane",C1CCC(=CC1)C2CCCCC23OCCO3,C1CCC(=CC1)C2CCCCC23OCCO3,"InChI=1/C14H22O2/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)15-10-11-16-14/h6,13H,1-5,7-11H2",C14H22O2,,,,,,DWOHCTQVVVIMLI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.039,260-561-4,57101-63-0,4-ethyl-2-heptyl-2-oxazoline-4-methanol,"(4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCC1=NC(CC)(CO)CO1,CCCCCCCC1=NC(CC)(CO)CO1,"InChI=1/C13H25NO2/c1-3-5-6-7-8-9-12-14-13(4-2,10-15)11-16-12/h15H,3-11H2,1-2H3",C13H25NO2,,,,,,GGTHMQKJWFHHRT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.040,260-563-5,57101-71-0,"4,4'-[1,2-ethanediylbis(oxy)]bis[3-chlorobenzoic] acid","4,4'-[ethane-1,2-diylbis(oxy)]bis(3-chlorobenzoic acid)",OC(=O)c1ccc(OCCOc2ccc(cc2Cl)C(=O)O)c(Cl)c1,OC(=O)c1ccc(OCCOc2ccc(cc2Cl)C(=O)O)c(Cl)c1,"InChI=1/C16H12Cl2O6/c17-11-7-9(15(19)20)1-3-13(11)23-5-6-24-14-4-2-10(16(21)22)8-12(14)18/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)",C16H12Cl2O6,,,,,,BLTVSIJVJFEGQK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.043,260-566-1,57110-29-9,Hexahydro-3-methylphthalic anhydride,"4-methylhexahydro-2-benzofuran-1,3-dione",CC1CCCC2C1C(=O)OC2=O,CC1CCCC2C1C(=O)OC2=O,"InChI=1/C9H12O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h5-7H,2-4H2,1H3",C9H12O3,,,,,,QXBYUPMEYVDXIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.044,260-567-7,57112-15-9,"Sodium 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","sodium 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",[Na+].CC1(C)C(C=C(Cl)Cl)C1C(=O)[O-],[Na+].CC1(C)C(C=C(Cl)Cl)C1C(=O)[O-],"InChI=1/C8H10Cl2O2.Na/c1-8(2)4(3-5(9)10)6(8)7(11)12;/h3-4,6H,1-2H3,(H,11,12);/q;+1/p-1",C8H10Cl2O2.Na,,,,,,HZYYPDXFYZDYGF-UHFFFAOYSA-M,,,,,,,,,,,
100.055.045,260-568-2,57116-45-7,Pentaerythritol tris(3-aziridin-1-ylpropionate),3-[(3-aziridin-1-ylpropanoyl)oxy]-2-{[(3-aziridin-1-ylpropanoyl)oxy]methyl}-2-(hydroxymethyl)propyl 3-aziridin-1-ylpropanoate (non-preferred name),OCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3,OCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3,"InChI=1/C20H33N3O7/c24-13-20(14-28-17(25)1-4-21-7-8-21,15-29-18(26)2-5-22-9-10-22)16-30-19(27)3-6-23-11-12-23/h24H,1-16H2",C20H33N3O7,,,,,,KAPCRJOPWXUMSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.052,260-576-6,57129-12-1,S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] (1R-cis)-ethanethioate,S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate,CC1CCC(C(=O)C1)C(C)(C)SC(=O)C,CC1CCC(C(=O)C1)C(C)(C)SC(=O)C,"InChI=1/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3",C12H20O2S,,,,,,AMXPURQVAMENCC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.056,260-580-8,57131-14-3,"1,2-dihydropyridazine-3,6-dione, compound with 2-aminoethanol (1:1)","1,2-dihydropyridazine-3,6-dione - 2-aminoethanol (1:1)",NCCO.O=C1NNC(=O)C=C1,NCCO.O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2.C2H7NO/c7-3-1-2-4(8)6-5-3;3-1-2-4/h1-2H,(H,5,7)(H,6,8);4H,1-3H2",C4H4N2O2.C2H7NO,,,,,,ZRUUKURQYAUHQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.060,260-585-5,57134-55-1,"Ethyl (Z)-3-(1,3-benzodioxol-5-yl)acrylate","ethyl 3-(1,3-benzodioxol-5-yl)acrylate",CCOC(=O)\\C=C/c1ccc2OCOc2c1,CCOC(=O)\C=C/c1ccc2OCOc2c1,"InChI=1/C12H12O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3-7H,2,8H2,1H3",C12H12O4,,,,,,PTMOFMXIIKUMTA-XQRVVYSFSA-N,,,,,,,,,,,
100.033.348,236-698-0,13465-57-1,Samarium phosphate,samarium phosphate,[Sm+2].[Sm+2].[Sm+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Sm+2].[Sm+2].[Sm+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2H3O4P.3Sm/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;3*+2/p-6",H3O4P.Sm,,,,,,HFXVQENCXOCWPD-UHFFFAOYSA-H,,,,,,,,,,,
100.033.349,236-699-6,13465-59-3,Scandium tribromide,scandium tribromide,[Sc+3].[Br-].[Br-].[Br-],[Sc+3].[Br-].[Br-].[Br-],InChI=1/3BrH.Sc/h3*1H;/q;;;+3/p-3,Br3Sc,,,,,,APPHYFNIXVIIJR-UHFFFAOYSA-K,,,,,,,,,,,
100.036.706,240-393-8,16308-92-2,"2,4-dimethylbenzyl alcohol","(2,4-dimethylphenyl)methanol",Cc1ccc(CO)c(C)c1,Cc1ccc(CO)c(C)c1,"InChI=1/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6H2,1-2H3",C9H12O,,,,,,QUIMJTKRVOBTQN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.717,240-406-7,16332-22-2,Ethyl 4-hydroxy-4-phenylpiperidine-1-carboxylate,ethyl 4-hydroxy-4-phenylpiperidine-1-carboxylate,CCOC(=O)N1CCC(O)(CC1)c2ccccc2,CCOC(=O)N1CCC(O)(CC1)c2ccccc2,"InChI=1/C14H19NO3/c1-2-18-13(16)15-10-8-14(17,9-11-15)12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3",C14H19NO3,,,,,,YDYRNUOFYGNGMF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.727,240-417-7,16356-33-5,"5-butyltetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one","5-butyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one",CCCCN1CN(CO)C(=O)N(CO)C1,CCCCN1CN(CO)C(=O)N(CO)C1,"InChI=1/C9H19N3O3/c1-2-3-4-10-5-11(7-13)9(15)12(6-10)8-14/h13-14H,2-8H2,1H3",C9H19N3O3,,,,,,DIXQPRZAXALJGY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.731,240-421-9,16364-15-1,"N-(1,3-dimethylbutyl)-N'-(p-tolyl)benzene-p-diamine","N-(1,3-dimethylbutyl)-N'-(4-methylphenyl)benzene-1,4-diamine",CC(C)CC(C)Nc1ccc(Nc2ccc(C)cc2)cc1,CC(C)CC(C)Nc1ccc(Nc2ccc(C)cc2)cc1,"InChI=1/C19H26N2/c1-14(2)13-16(4)20-17-9-11-19(12-10-17)21-18-7-5-15(3)6-8-18/h5-12,14,16,20-21H,13H2,1-4H3",C19H26N2,,,,,,BRHHHNJIRNMRFM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.744,240-436-0,16386-22-4,"Trisodium 4,4',4''-[(2,4-diaminobenzene-1,3,5-triyl)tris(azo)]tris[benzenesulphonate]","trisodium 4,4',4''-[(2,4-diaminobenzene-1,3,5-triyl)tridiazene-2,1-diyl]tribenzenesulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N,"InChI=1/C24H20N8O9S3.3Na/c25-22-20(30-27-14-1-7-17(8-2-14)42(33,34)35)13-21(31-28-15-3-9-18(10-4-15)43(36,37)38)23(26)24(22)32-29-16-5-11-19(12-6-16)44(39,40)41;;;/h1-13H,25-26H2,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3",C24H20N8O9S3.3Na,,,,,,KXODKXZIBOAFDL-UHFFFAOYSA-K,,,,,,,,,,,
100.036.746,240-438-1,16387-55-6,"1,1-diethoxyoct-2-yne","1,1-diethoxyoct-2-yne",CCCCCC#CC(OCC)OCC,CCCCCC#CC(OCC)OCC,"InChI=1/C12H22O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-9H2,1-3H3",C12H22O2,,,,,,YKXAYRBNHIHDSI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.328,239-977-5,15853-35-7,Benzyltriphenylphosphonium,benzyl(triphenyl)phosphonium,C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1",C25H22P,,,,,,BNQRPLGZFADFGA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.332,239-981-7,15859-24-2,Sodium silicate,disodium oxosilanediolate,[Na+].[Na+].[O-][Si](=O)[O-],[Na+].[Na+].[O-][Si](=O)[O-],InChI=1/2Na.O3Si/c;;1-4(2)3/q2*+1;-2,H4O4Si.xNa,,,,,,NTHWMYGWWRZVTN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.340,239-990-6,15862-72-3,Ethyl piperidine-2-carboxylate,ethyl piperidine-2-carboxylate,CCOC(=O)C1CCCCN1,CCOC(=O)C1CCCCN1,"InChI=1/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3",C8H15NO2,,,,,,SZIKRGHFZTYTIT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.345,239-995-3,15872-42-1,4-(heptyloxy)benzoic acid,4-(heptyloxy)benzoic acid,CCCCCCCOc1ccc(cc1)C(=O)O,CCCCCCCOc1ccc(cc1)C(=O)O,"InChI=1/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)",C14H20O3,,,,,,ZRVIYEJYXIDATJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.346,239-996-9,15872-89-6,Diheptyl succinate,diheptyl succinate,CCCCCCCOC(=O)CCC(=O)OCCCCCCC,CCCCCCCOC(=O)CCC(=O)OCCCCCCC,"InChI=1/C18H34O4/c1-3-5-7-9-11-15-21-17(19)13-14-18(20)22-16-12-10-8-6-4-2/h3-16H2,1-2H3",C18H34O4,,,,,,PBZAGXRVDLNBCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.347,239-997-4,15873-51-5,4-nitroanilinium chloride,4-nitroanilinium chloride,[Cl-].[NH3+]c1ccc(cc1)[N+](=O)[O-],[Cl-].[NH3+]c1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H6N2O2.ClH/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H,7H2;1H",C6H6N2O2.ClH,,,,,,LNJUVOPKIUQOQK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.352,240-004-1,15875-13-5,"N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropanamine","3,3',3''-(1,3,5-triazinane-1,3,5-triyl)tris(N,N-dimethylpropan-1-amine)",CN(C)CCCN1CN(CCCN(C)C)CN(CCCN(C)C)C1,CN(C)CCCN1CN(CCCN(C)C)CN(CCCN(C)C)C1,"InChI=1/C18H42N6/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6/h7-18H2,1-6H3",C18H42N6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13193,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.352,FZQMJOOSLXFQSU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.429,259-891-1,55910-09-3,Propyl cyclohexaneacetate,propyl cyclohexylacetate,CCCOC(=O)CC1CCCCC1,CCCOC(=O)CC1CCCCC1,"InChI=1/C11H20O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h10H,2-9H2,1H3",C11H20O2,,,,,,QZQLNUYDNNRPMA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.395,267-555-0,67886-68-4,2-chloro-6-methoxynaphthalene,2-chloro-6-methoxynaphthalene,COc1ccc2cc(Cl)ccc2c1,COc1ccc2cc(Cl)ccc2c1,"InChI=1/C11H9ClO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3",C11H9ClO,,,,,,DFJBXCAVJOGNDS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.407,267-568-1,67892-36-8,"1,3-dimethylbutyl hydrogen phosphorodithioate, compound with (Z)-9-octadecen-1-amine (1:1)",-,CCCCCCCC\\C=C/CCCCCCCCN.CC(C)CC(C)OP(=O)(S)[S-],CCCCCCCC\C=C/CCCCCCCCN.CC(C)CC(C)OP(=O)(S)[S-],"InChI=1/C18H37N.C6H15O2PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2)4-6(3)8-9(7,10)11/h9-10H,2-8,11-19H2,1H3;5-6H,4H2,1-3H3,(H2,7,10,11)/p-1",C18H37N.C12H27O2PS2,,,,,,CYIXKFLDYHJOHM-KVVVOXFISA-M,,,,,,,,,,,
100.061.409,267-570-2,67892-38-0,Barium bis[3-chloro-4-ethyl-5-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate],barium bis{3-chloro-4-ethyl-5-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate},[Ba+2].CCc1c(cc(cc1Cl)S([O-])(=O)=O)N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c3cc(Cl)c(CC)c(N=Nc1c2ccccc2ccc1O)c3,[Ba+2].CCc1c(cc(cc1Cl)S([O-])(=O)=O)N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c3cc(Cl)c(CC)c(N=Nc1c2ccccc2ccc1O)c3,"InChI=1/2C18H15ClN2O4S.Ba/c2*1-2-13-15(19)9-12(26(23,24)25)10-16(13)20-21-18-14-6-4-3-5-11(14)7-8-17(18)22;/h2*3-10,22H,2H2,1H3,(H,23,24,25);/q;;+2/p-2",C18H15ClN2O4S.1/2Ba,,,,,,DKPXLHIXTTUWPN-UHFFFAOYSA-L,,,,,,,,,,,
100.061.413,267-574-4,67892-42-6,"2-methylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2-methylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",CN1C(=O)c2ccc3c4ccc5C(=O)NC(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56,CN1C(=O)c2ccc3c4ccc5C(=O)NC(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56,"InChI=1/C25H12N2O4/c1-27-24(30)16-8-4-12-10-2-6-14-20-15(23(29)26-22(14)28)7-3-11(18(10)20)13-5-9-17(25(27)31)21(16)19(12)13/h2-9H,1H3,(H,26,28,29)",C25H12N2O4,,,,,,ZXEZSSQZWHFUTK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.414,267-576-5,67892-43-7,3-sulphophthalic acid,3-sulfophthalic acid,OC(=O)c1cccc(c1C(=O)O)S(=O)(=O)O,OC(=O)c1cccc(c1C(=O)O)S(=O)(=O)O,"InChI=1/C8H6O7S/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)",C8H6O7S,,,,,,SDGNNLQZAPXALR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.418,267-580-7,67892-47-1,"Barium 2-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulphonate","barium 2-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1,5-disulfonate",[Ba+2].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc1c2ccccc2ccc1O)c3S([O-])(=O)=O,[Ba+2].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc1c2ccccc2ccc1O)c3S([O-])(=O)=O,"InChI=1/C20H14N2O7S2.Ba/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2",C20H14N2O7S2.Ba,,,,,,VMXHOYVAGBSOEU-UHFFFAOYSA-L,,,,,,,,,,,
100.055.713,261-304-9,58517-90-1,"Methyl 1-[1-[[[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazole-5-carboxylate","methyl 1-(1-{[2-(hexadecyloxy)-5-(methylsulfamoyl)phenyl]carbamoyl}-3,3-dimethyl-2-oxobutyl)-1H-imidazole-5-carboxylate",CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)C(C(=O)C(C)(C)C)n2cncc2C(=O)OC)S(=O)(=O)NC,CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)C(C(=O)C(C)(C)C)n2cncc2C(=O)OC)S(=O)(=O)NC,"InChI=1/C35H56N4O7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-46-30-22-21-27(47(43,44)36-5)24-28(30)38-33(41)31(32(40)35(2,3)4)39-26-37-25-29(39)34(42)45-6/h21-22,24-26,31,36H,7-20,23H2,1-6H3,(H,38,41)",C35H56N4O7S,,,,,,GIFUEPRVNOQDJA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.719,261-311-7,58534-23-9,2-acetamido-5-nitrobenzenesulphonic acid,2-acetamido-5-nitrobenzenesulfonic acid,CC(=O)Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],CC(=O)Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C8H8N2O6S/c1-5(11)9-7-3-2-6(10(12)13)4-8(7)17(14,15)16/h2-4H,1H3,(H,9,11)(H,14,15,16)",C8H8N2O6S,,,,,,JPLLWZUYSWNRLC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.725,261-318-5,58537-61-4,"[(1,1,3,3-tetramethylbutyl)thio]acetic acid","[(1,1,3,3-tetramethylbutyl)sulfanyl]acetic acid",CC(C)(C)CC(C)(C)SCC(=O)O,CC(C)(C)CC(C)(C)SCC(=O)O,"InChI=1/C10H20O2S/c1-9(2,3)7-10(4,5)13-6-8(11)12/h6-7H2,1-5H3,(H,11,12)",C10H20O2S,,,,,,GONLVZLZLHLBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.726,261-319-0,58537-76-1,Methyl N-L-seryl-L-tryptophanate,methyl L-seryl-L-tryptophanate,COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO,COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO,"InChI=1/C15H19N3O4/c1-22-15(21)13(18-14(20)11(16)8-19)6-9-7-17-12-5-3-2-4-10(9)12/h2-5,7,11,13,17,19H,6,8,16H2,1H3,(H,18,20)",C15H19N3O4,,,,,,ZGPGEVLZOGOVND-AAEUAGOBSA-N,,,,,,,,,,,
100.055.731,261-324-8,58555-40-1,"2-[(2,3-dihydro-2-oxo-5-benzoxazol-yl)carbonyl]benzoic acid","2-[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)carbonyl]benzoic acid",OC(=O)c1ccccc1C(=O)c2ccc3OC(=O)Nc3c2,OC(=O)c1ccccc1C(=O)c2ccc3OC(=O)Nc3c2,"InChI=1/C15H9NO5/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-12-11(7-8)16-15(20)21-12/h1-7H,(H,16,20)(H,18,19)",C15H9NO5,,,,,,USJCJMADQDMCDE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.739,261-333-7,58568-58-4,"2-henicosyl-4,5-dihydro-1H-imidazole-1-ethylamine","2-(2-henicosyl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCN,CCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCN,"InChI=1/C26H53N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-28-23-25-29(26)24-22-27/h2-25,27H2,1H3",C26H53N3,,,,,,XDQOWHAPQSSLFL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.264,241-007-0,16940-92-4,Diammonium hexachloroiridate,diammonium hexachloroiridate(2-),[NH4+].[NH4+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Ir.2H3N/h6*1H;;2*1H3/q;;;;;;+4;;/p-4/rCl6Ir.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",Cl6Ir.2H4N,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17783,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.264,LWNOUTCTZQNGEN-UHFFFAOYSA-J,,,,,,,,,,,
100.037.274,241-018-0,16948-04-2,"N6-[(benzyloxy)carbonyl]-N2-[(tert-butoxy)carbonyl]-L-lysine, compound with dicyclohexylamine (1:1)",N~6~-[(benzyloxy)carbonyl]-N~2~-(tert-butoxycarbonyl)-L-lysine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C19H28N2O6.C12H23N/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2",C19H28N2O6.C12H23N,,,,,,BQERJWRZLXZNIO-RSAXXLAASA-N,,,,,,,,,,,
100.037.276,241-020-1,16948-38-2,p-nitrophenyl erythro-N-(tert-butoxycarbonyl)-L-isoleucinate,4-nitrophenyl N-(tert-butoxycarbonyl)-L-isoleucinate,CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C17H24N2O6/c1-6-11(2)14(18-16(21)25-17(3,4)5)15(20)24-13-9-7-12(8-10-13)19(22)23/h7-11,14H,6H2,1-5H3,(H,18,21)",C17H24N2O6,,,,,,RFSVHANJROIWPM-FZMZJTMJSA-N,,,,,,,,,,,
100.037.283,241-028-5,16958-85-3,Octyl palmitate,octyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCCCCC,"InChI=1/C24H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24(25)26-23-21-19-10-8-6-4-2/h3-23H2,1-2H3",C24H48O2,,,,,,OQILCOQZDHPEAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.479,259-947-5,56015-03-3,"(E)-3-hydroxy-5-methoxy-4,4-dimethyl-2-(1-oxo-3-phenylpropen-2-yl)cyclohexa-2,5-dien-1-one","2-(1-benzyl-2-oxovinyl)-3-hydroxy-5-methoxy-4,4-dimethylcyclohexa-2,5-dien-1-one",COC1=CC(=O)C(=C(O)C1(C)C)C(=C=O)Cc2ccccc2,COC1=CC(=O)C(=C(O)C1(C)C)C(=C=O)Cc2ccccc2,"InChI=1/C18H18O4/c1-18(2)15(22-3)10-14(20)16(17(18)21)13(11-19)9-12-7-5-4-6-8-12/h4-8,10,21H,9H2,1-3H3",C18H18O4,,,,,,YYYYBQYXVYDKSR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.480,259-948-0,56022-37-8,Ethyltrioctylphosphonium bromide,ethyl(trioctyl)phosphonium bromide,[Br-].CCCCCCCC[P+](CC)(CCCCCCCC)CCCCCCCC,[Br-].CCCCCCCC[P+](CC)(CCCCCCCC)CCCCCCCC,"InChI=1/C26H56P.BrH/c1-5-9-12-15-18-21-24-27(8-4,25-22-19-16-13-10-6-2)26-23-20-17-14-11-7-3;/h5-26H2,1-4H3;1H/q+1;/p-1",C26H56P.Br,,,,,,TUDUDQJRUPFUMA-UHFFFAOYSA-M,,,,,,,,,,,
100.054.481,259-949-6,56022-49-2,2-sulphoethyl laurate,2-(dodecanoyloxy)ethanesulfonic acid,CCCCCCCCCCCC(=O)OCCS(=O)(=O)O,CCCCCCCCCCCC(=O)OCCS(=O)(=O)O,"InChI=1/C14H28O5S/c1-2-3-4-5-6-7-8-9-10-11-14(15)19-12-13-20(16,17)18/h2-13H2,1H3,(H,16,17,18)",C14H28O5S,,,,,,UXPUMTCLHVWFKC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.485,259-953-8,56039-55-5,"cis-3,4-dimethylcyclopentene","3,4-dimethylcyclopentene",C[C@@H]1CC=C[C@@H]1C,C[C@@H]1CC=C[C@@H]1C,"InChI=1/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3",C7H12,,,,,,JOVGLRSLWFSVNB-NKWVEPMBSA-N,,,,,,,,,,,
100.054.487,259-955-9,56041-75-9,4-bromo-a-cyclopropyl-a-methylbenzyl alcohol,1-(4-bromophenyl)-1-cyclopropylethanol,CC(O)(C1CC1)c2ccc(Br)cc2,CC(O)(C1CC1)c2ccc(Br)cc2,"InChI=1/C11H13BrO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3",C11H13BrO,,,,,,AKWHXCFLUPFEEX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.492,259-961-1,56046-99-2,Tris(lauroyloxy)octylstannane,tris(dodecanoyloxy)(octyl)stannane,CCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1/3C12H24O2.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-8-6-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-8H2,2H3;/q;;;;+3/p-3/rC44H86O6Sn/c1-5-9-13-17-21-24-27-30-34-38-42(45)48-51(41-37-33-20-16-12-8-4,49-43(46)39-35-31-28-25-22-18-14-10-6-2)50-44(47)40-36-32-29-26-23-19-15-11-7-3/h5-41H2,1-4H3",C44H86O6Sn,,,,,,ZCVZSTMWOQNVHQ-UHFFFAOYSA-K,,,,,,,,,,,
100.054.493,259-962-7,56047-04-2,6-hydroxypyridin-2(1H)-one sulphate,6-hydroxypyridin-2(1H)-one sulfate (salt),OC1=CC=CC(=O)N1.OS(=O)(=O)O,OC1=CC=CC(=O)N1.OS(=O)(=O)O,"InChI=1/C5H5NO2.H2O4S/c7-4-2-1-3-5(8)6-4;1-5(2,3)4/h1-3H,(H2,6,7,8);(H2,1,2,3,4)",C5H5NO2.xH2O4S,,,,,,JAGQQVFIGXVVPO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.496,259-965-3,56049-88-8,"[(6,7-dichloro-2,3-dihydro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy]acetic acid","[(6,7-dichloro-2-methyl-1-oxo-2-phenyl-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid",CC1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)c3ccccc3,CC1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)c3ccccc3,"InChI=1/C18H14Cl2O4/c1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23/h2-7H,8-9H2,1H3,(H,21,22)",C18H14Cl2O4,,,,,,PRKWVSHZYDOZLP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.632,260-114-3,56329-47-6,N-(2-aminoethyl)ethylenediamine diacetate,"N-(2-aminoethyl)ethane-1,2-diamine diacetate",CC(=O)O.CC(=O)O.NCCNCCN,CC(=O)O.CC(=O)O.NCCNCCN,"InChI=1/C4H13N3.2C2H4O2/c5-1-3-7-4-2-6;2*1-2(3)4/h7H,1-6H2;2*1H3,(H,3,4)",C4H13N3.2C2H4O2,,,,,,NOUQZZMWVJZXOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.637,260-120-6,56341-36-7,"1,5-dimethylpyrrole-2-carbonitrile","1,5-dimethyl-1H-pyrrole-2-carbonitrile",Cc1ccc(C#N)n1C,Cc1ccc(C#N)n1C,"InChI=1/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3",C7H8N2,,,,,,DRXOPQFEWDRGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.064,260-589-7,57137-50-5,N-[2-[(1-methylethylidene)amino]ethyl]-N'-[2-[[2-[(1-methylethylidene)amino]ethyl]amino]ethyl]ethylenediamine,"N-isopropylidene-N'-{2-[(2-{[2-(isopropylideneamino)ethyl]amino}ethyl)amino]ethyl}ethane-1,2-diamine (non-preferred name)",CC(=NCCNCCNCCNCCN=C(C)C)C,CC(=NCCNCCNCCNCCN=C(C)C)C,"InChI=1/C14H31N5/c1-13(2)18-11-9-16-7-5-15-6-8-17-10-12-19-14(3)4/h15-17H,5-12H2,1-4H3",C14H31N5,,,,,,RNSVADAHBNMOEI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.072,260-598-6,57157-80-9,Diisotridecylamine,11-methyl-N-(11-methyldodecyl)dodecan-1-amine,CC(C)CCCCCCCCCCNCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCNCCCCCCCCCCC(C)C,"InChI=1/C26H55N/c1-25(2)21-17-13-9-5-7-11-15-19-23-27-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-27H,5-24H2,1-4H3",C26H55N,,,,,,YOFPVMWVLDSWKR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.237,242-077-5,18189-07-6,Decyl anthranilate,decyl 2-aminobenzoate,CCCCCCCCCCOC(=O)c1ccccc1N,CCCCCCCCCCOC(=O)c1ccccc1N,"InChI=1/C17H27NO2/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)18/h9-10,12-13H,2-8,11,14,18H2,1H3",C17H27NO2,,,,,,NMXZJPNAJUDMAC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.240,242-080-1,18190-74-4,(Z)-N-(2-hydroxyethyl)docos-13-enamide,N-(2-hydroxyethyl)docos-13-enamide,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)NCCO,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCO,"InChI=1/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)",C24H47NO2,,,,,,UGYSMGXRWBTMRZ-KTKRTIGZSA-N,,,,,,,,,,,
100.038.248,242-089-0,18198-40-8,"7,7',7''-trimethyltrioctylamine","7-methyl-N,N-bis(7-methyloctyl)octan-1-amine",CC(C)CCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C,CC(C)CCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C,"InChI=1/C27H57N/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3",C27H57N,,,,,,YGLJGOMFUHQSBN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.375,236-728-2,13469-98-2,Yttrium tribromide,yttrium tribromide,[Br-].[Br-].[Br-].[Y+3],[Br-].[Br-].[Br-].[Y+3],InChI=1/3BrH.Y/h3*1H;/q;;;+3/p-3,Br3Y,,,,,,FSDCGXUNLWDJNL-UHFFFAOYSA-K,,,,,,,,,,,
100.033.381,236-735-0,13470-22-9,Uranium tetraiodide,uranium tetraiodide,[I-].[I-].[I-].[I-].[U+2].[U+2],[I-].[I-].[I-].[I-].[U+2].[U+2],InChI=1/4HI.2U/h4*1H;;/q;;;;2*+2/p-4,I4U,,,,,,VHVAZASNGQHAJA-UHFFFAOYSA-J,,,,,,,,,,,
100.033.383,236-737-1,13470-38-7,Yttrium triiodide,yttrium triiodide,[Y+3].[I-].[I-].[I-],[Y+3].[I-].[I-].[I-],InChI=1/3HI.Y/h3*1H;/q;;;+3/p-3,I3Y,,,,,,LFWQXIMAKJCMJL-UHFFFAOYSA-K,,,,,,,,,,,
100.033.385,236-739-2,13472-00-9,4-(2-aminoethyl)aniline,4-(2-aminoethyl)aniline,NCCc1ccc(N)cc1,NCCc1ccc(N)cc1,"InChI=1/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2",C8H12N2,,,,,,LNPMZQXEPNWCMG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.392,236-747-6,13473-26-2,"2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br,Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br,"InChI=1/C20H4Br4Cl4O5/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26/h1-2,29-30H",C20H4Br4Cl4O5,,,,,,ZYIBVBKZZZDFOY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.394,236-749-7,13473-51-3,"(3ß,5ß)-3-[(6-deoxy-4-O-ß-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide","3-[(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide",C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O,C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O,"InChI=1/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3",C35H52O15,,,,,,CAYUJEAJKPLCAV-TZOZDROWSA-N,,,,,,,,,,,
100.033.401,236-757-0,13475-82-6,"2,2,4,6,6-pentamethylheptane","2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,CC(CC(C)(C)C)CC(C)(C)C,"InChI=1/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3",C12H26,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2110,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.401,VKPSKYDESGTTFR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.404,236-760-7,13477-00-4,Barium chlorate,barium dichlorate,[Ba+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Ba+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/Ba.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",Ba.2ClHO3,,,,,,ISFLYIRWQDJPDR-UHFFFAOYSA-L,,,,,,,,,,,
100.031.148,234-276-0,11052-72-5,"Oligomycin A, 12-deoxy-","22-ethyl-7,11,15-trihydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione",CCC1CCC2OC3(CCC(C)C(CC(C)O)O3)C(C)C(OC(=O)C=CC(C)C(O)C(C)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)CC=CC=C1)C2C,CCC1CCC2OC3(CCC(C)C(CC(C)O)O3)C(C)C(OC(=O)C=CC(C)C(O)C(C)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)CC=CC=C1)C2C,"InChI=1/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3",C45H74O10,,,,,,CMMLZMMKTYEOKV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.434,259-896-9,55911-95-0,"Carbamic acid, compound with propylenediamine","carbamic acid - propane-1,2-diamine (1:1)",CC(N)CN.NC(=O)O,CC(N)CN.NC(=O)O,"InChI=1/C3H10N2.CH3NO2/c1-3(5)2-4;2-1(3)4/h3H,2,4-5H2,1H3;2H2,(H,3,4)",C3H10N2.xCH3NO2,,,,,,IMCOCXXRXHOURU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.437,259-900-9,55912-19-1,"1-[(1,1-dimethylpropyl)azo]cyclohexanecarbonitrile","1-[(1,1-dimethylpropyl)diazenyl]cyclohexanecarbonitrile",CC(C)(N=NC1(CCCCC1)C#N)CC,CC(C)(N=NC1(CCCCC1)C#N)CC,"InChI=1/C12H21N3/c1-4-11(2,3)14-15-12(10-13)8-6-5-7-9-12/h4-9H2,1-3H3",C12H21N3,,,,,,UXKQGJYFPNFUJY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.439,259-903-5,55915-70-3,"8-methoxy-2,6-dimethyloct-2-ene","3,7-dimethyloct-6-en-1-yl methyl ether",COCCC(C)CCC=C(C)C,COCCC(C)CCC=C(C)C,"InChI=1/C11H22O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11H,5,7-9H2,1-4H3",C11H22O,,,,,,QUGQATRJSUHGGA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.443,259-907-7,55928-73-9,(E)-2-methyloct-5-en-2-ol,2-methyloct-5-en-2-ol,CC\\C=C\\CCC(C)(C)O,CC\C=C\CCC(C)(C)O,"InChI=1/C9H18O/c1-4-5-6-7-8-9(2,3)10/h5-6,10H,4,7-8H2,1-3H3",C9H18O,,,,,,LGAOBFAFWKTUEZ-AATRIKPKSA-N,,,,,,,,,,,
100.054.444,259-908-2,55931-94-7,Sodium 2-(dimethylamino)ethanethiolate,sodium 2-(dimethylamino)ethanethiolate,[Na+].CN(C)CC[S-],[Na+].CN(C)CC[S-],"InChI=1/C4H11NS.Na/c1-5(2)3-4-6;/h6H,3-4H2,1-2H3;/q;+1/p-1",C4H11NS.Na,,,,,,BYFAREPWNGKOHN-UHFFFAOYSA-M,,,,,,,,,,,
100.054.454,259-919-2,55953-80-5,Tris(hydroxymethyl)phosphonium chloride,tris(hydroxymethyl)phosphonium chloride,[Cl-].OC[PH+](CO)CO,[Cl-].OC[PH+](CO)CO,"InChI=1/C3H9O3P.ClH/c4-1-7(2-5)3-6;/h4-6H,1-3H2;1H",C3H9O3P.ClH,,,,,,AYESKMWPTSCYSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.459,259-925-5,55968-41-7,(Z)-oct-5-en-2-ol,oct-5-en-2-ol,CC\\C=C/CCC(C)O,CC\C=C/CCC(C)O,"InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h4-5,8-9H,3,6-7H2,1-2H3",C8H16O,,,,,,LZHHQGKEJNRBAZ-PLNGDYQASA-N,,,,,,,,,,,
100.054.464,259-930-2,55974-34-0,1-(o-tolyl)piperazine dihydrochloride,1-(2-methylphenyl)piperazine dihydrochloride,Cl.Cl.Cc1ccccc1N2CCNCC2,Cl.Cl.Cc1ccccc1N2CCNCC2,"InChI=1/C11H16N2.2ClH/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H",C11H16N2.2ClH,,,,,,NCENNBIPRYOJSP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.465,259-931-8,55981-09-4,o-[N-(5-nitrothiazol-2-yl)carbamoyl]phenyl acetate,"2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate",CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-],CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-],"InChI=1/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)",C12H9N3O5S,,,,,,YQNQNVDNTFHQSW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.468,259-934-4,55990-91-5,"Di(2,3-xylyl) disulphide","1,1'-disulfanediylbis(2,3-dimethylbenzene)",Cc1cccc(SSc2cccc(C)c2C)c1C,Cc1cccc(SSc2cccc(C)c2C)c1C,"InChI=1/C16H18S2/c1-11-7-5-9-15(13(11)3)17-18-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3",C16H18S2,,,,,,XTGZALWKSBATBY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.359,236-710-4,13465-95-7,Barium perchlorate,barium diperchlorate,[Ba+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Ba+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/Ba.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2",Ba.2ClHO4,,,,,,OOULUYZFLXDWDQ-UHFFFAOYSA-L,,,,,,,,,,,
100.033.362,236-714-6,13465-98-0,Disilver(1+) sulphite,disilver(1+) sulfite,[Ag+].[Ag+].[O-]S(=O)[O-],[Ag+].[Ag+].[O-]S(=O)[O-],"InChI=1/2Ag.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",Ag.1/2H2O3S,,,,,,WYCFMBAHFPUBDS-UHFFFAOYSA-L,,,,,,,,,,,
100.033.370,236-723-5,13468-00-3,"8,8-dibutyl-1,4-dioxa-7,9-dithia-8-stannacycloundecane-5,11-dione","5,5-dibutyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione",CCCC[Sn]1(CCCC)SCC(=O)OCCOC(=O)CS1,CCCC[Sn]1(CCCC)SCC(=O)OCCOC(=O)CS1,"InChI=1/C6H10O4S2.2C4H9.Sn/c7-5(3-11)9-1-2-10-6(8)4-12;2*1-3-4-2;/h11-12H,1-4H2;2*1,3-4H2,2H3;/q;;;+2/p-2/rC14H26O4S2Sn/c1-3-5-9-21(10-6-4-2)19-11-13(15)17-7-8-18-14(16)12-20-21/h3-12H2,1-2H3",C14H26O4S2Sn,,,,,,OQPYRRNNMIEEPM-UHFFFAOYSA-L,,,,,,,,,,,
100.033.372,236-725-6,13468-27-4,7-(dimethylamino)-1-ethyl-3-phenyl-2-quinolone,7-(dimethylamino)-1-ethyl-3-phenylquinolin-2(1H)-one,CCN1C(=O)C(=Cc2ccc(cc12)N(C)C)c3ccccc3,CCN1C(=O)C(=Cc2ccc(cc12)N(C)C)c3ccccc3,"InChI=1/C19H20N2O/c1-4-21-18-13-16(20(2)3)11-10-15(18)12-17(19(21)22)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3",C19H20N2O,,,,,,ONUKVSFEFHPRKD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.879,238-383-3,14408-21-0,1-[2-[ethyl[4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]ethyl]pyridinium chloride,"1-[2-(ethyl{4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)ethyl]pyridinium chloride",[Cl-].CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3ncc(s3)[N+]([O-])=O,[Cl-].CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3ncc(s3)[N+]([O-])=O,"InChI=1/C18H19N6O2S.ClH/c1-2-23(13-12-22-10-4-3-5-11-22)16-8-6-15(7-9-16)20-21-18-19-14-17(27-18)24(25)26;/h3-11,14H,2,12-13H2,1H3;1H/q+1;/p-1",C18H19N6O2S.Cl,,,,,,VNPDCVHWYZIKRH-UHFFFAOYSA-M,,,,,,,,,,,
100.034.892,238-398-5,14426-25-6,Bis[p-(dimethylamino)phenyl][p-(dimethylammonio)phenyl]methylium,bis[4-(dimethylamino)phenyl][4-(dimethylammonio)phenyl]methylium,CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)[NH+](C)C,CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)[NH+](C)C,"InChI=1/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3/q+1/p+1",C25H30N3,,,,,,LGLFFNDHMLKUMI-UHFFFAOYSA-O,,,,,,,,,,,
100.055.741,261-335-8,58569-55-4,N-[N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-L-methionine,L-tyrosylglycylglycylphenylalanyl-L-methionine,CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O,CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O,"InChI=1/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)",C27H35N5O7S,,,,,,YFGBQHOOROIVKG-FKBYEOEOSA-N,,,,,,,,,,,
100.055.745,261-340-5,58576-72-0,2-[(phenylmethyl)amino]ethanol hydrochloride,2-(benzylamino)ethanol hydrochloride,Cl.OCCNCc1ccccc1,Cl.OCCNCc1ccccc1,"InChI=1/C9H13NO.ClH/c11-7-6-10-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H",C9H13NO.ClH,,,,,,IBGXTGBPGSOZST-UHFFFAOYSA-N,,,,,,,,,,,
100.055.746,261-341-0,58580-55-5,Dibekacin sulphate,"4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside sulfate (salt)",NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.OS(=O)(=O)O,NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.OS(=O)(=O)O,"InChI=1/C18H37N5O8.H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;(H2,1,2,3,4)",C18H37N5O8.xH2O4S,,,,,,GXKUKBCVZHBTJW-USXQJGOZSA-N,,,,,,,,,,,
100.055.220,260-762-7,57479-88-6,Sulmepride,2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide,COc1ccc(cc1C(=O)NCC2CCCN2C)S(=O)(=O)N,COc1ccc(cc1C(=O)NCC2CCCN2C)S(=O)(=O)N,"InChI=1/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)",C14H21N3O4S,,,,,,QCKAYJICSQJJCU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.230,260-773-7,57500-00-2,2-[(methyldithio)methyl]furan,2-[(methyldisulfanyl)methyl]furan,CSSCc1occc1,CSSCc1occc1,"InChI=1/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3",C6H8OS2,,,,,,CLSLQQCDHOZMDT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.246,260-791-5,57526-81-5,Prenalterol,4-[2-hydroxy-3-(isopropylamino)propoxy]phenol,CC(C)NCC(O)COc1ccc(O)cc1,CC(C)NCC(O)COc1ccc(O)cc1,"InChI=1/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3",C12H19NO3,,,,,,ADUKCCWBEDSMEB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.248,260-793-6,57527-74-9,"2-(1-chloroethyl)-1,4-dimethylbenzene","2-(1-chloroethyl)-1,4-dimethylbenzene",CC(Cl)c1cc(C)ccc1C,CC(Cl)c1cc(C)ccc1C,"InChI=1/C10H13Cl/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9H,1-3H3",C10H13Cl,,,,,,ZPBVKSBGMQFLMA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.875,262-582-4,61083-59-8,[2-[(chloroformyl)oxy]ethyl]triphenylphosphonium chloride,{2-[(chlorocarbonyl)oxy]ethyl}(triphenyl)phosphonium chloride,[Cl-].ClC(=O)OCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].ClC(=O)OCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H19ClO2P.ClH/c22-21(23)24-16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1",C21H19ClO2P.Cl,,,,,,PUPJXJKSQGVMLT-UHFFFAOYSA-M,,,,,,,,,,,
100.056.876,262-584-5,61085-25-4,N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine,1-cyano-2-methyl-3-(2-sulfanylethyl)guanidine,C\\N=C(\\NCCS)/NC#N,C\N=C(\NCCS)/NC#N,"InChI=1/C5H10N4S/c1-7-5(9-4-6)8-2-3-10/h10H,2-3H2,1H3,(H2,7,8,9)",C5H10N4S,,,,,,ZORWZOOZJGMSTE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.781,264-678-1,64114-64-3,Sodium isobutyloctyl phosphate,-,[Na+].CCCCCCCC(CC(C)C)OP(=O)([O-])[O-],[Na+].CCCCCCCC(CC(C)C)OP(=O)([O-])[O-],"InChI=1/C12H27O4P.Na/c1-4-5-6-7-8-9-12(10-11(2)3)16-17(13,14)15;/h11-12H,4-10H2,1-3H3,(H2,13,14,15);/q;+1/p-2",C13H29O4P.Na,,,,,,RCXXCYUTLKKTBA-UHFFFAOYSA-L,,,,,,,,,,,
100.058.800,264-699-6,64135-01-9,"1-amino-9,10-dihydro-4-[[4-[(methylamino)methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-({4-[(methylamino)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CNCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,CNCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,"InChI=1/C22H19N3O5S/c1-24-11-12-6-8-13(9-7-12)25-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27/h2-10,24-25H,11,23H2,1H3,(H,28,29,30)",C22H19N3O5S,,,,,,YCUWKANYCKONNX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.814,264-715-1,64165-41-9,"N,N,N',N'-tetrakis(2-hydroxyethyl)malonamide","N,N,N',N'-tetrakis(2-hydroxyethyl)malonamide",OCCN(CCO)C(=O)CC(=O)N(CCO)CCO,OCCN(CCO)C(=O)CC(=O)N(CCO)CCO,"InChI=1/C11H22N2O6/c14-5-1-12(2-6-15)10(18)9-11(19)13(3-7-16)4-8-17/h14-17H,1-9H2",C11H22N2O6,,,,,,OBMJJTQPNCMCGX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.815,264-716-7,64165-57-7,"3-ethyl-2,4-dioxaspiro[5.5]undec-8-ene","3-ethyl-2,4-dioxaspiro[5.5]undec-8-ene",CCC1OCC2(CCC=CC2)CO1,CCC1OCC2(CCC=CC2)CO1,"InChI=1/C11H18O2/c1-2-10-12-8-11(9-13-10)6-4-3-5-7-11/h3-4,10H,2,5-9H2,1H3",C11H18O2,,,,,,HGDOZLGKGGHYFC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.420,267-582-8,67892-49-3,Calcium 4-[(3-chloro-2-ethyl-5-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,calcium 4-[(3-chloro-2-ethyl-5-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ca+2].CCc1c(cc(cc1Cl)S([O-])(=O)=O)N=Nc2c3ccccc3cc(C([O-])=O)c2O,[Ca+2].CCc1c(cc(cc1Cl)S([O-])(=O)=O)N=Nc2c3ccccc3cc(C([O-])=O)c2O,"InChI=1/C19H15ClN2O6S.Ca/c1-2-12-15(20)8-11(29(26,27)28)9-16(12)21-22-17-13-6-4-3-5-10(13)7-14(18(17)23)19(24)25;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2",C19H15ClN2O6S.Ca,,,,,,CFHVVACOVKOSIQ-UHFFFAOYSA-L,,,,,,,,,,,
100.034.902,238-409-3,14435-88-2,"2,6-bis(p-tolyl)pyridine","2,6-bis(4-methylphenyl)pyridine",Cc1ccc(cc1)c2cccc(n2)c3ccc(C)cc3,Cc1ccc(cc1)c2cccc(n2)c3ccc(C)cc3,"InChI=1/C19H17N/c1-14-6-10-16(11-7-14)18-4-3-5-19(20-18)17-12-8-15(2)9-13-17/h3-13H,1-2H3",C19H17N,,,,,,BLRYHCTZTSRBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.905,238-413-5,14437-17-3,Chlorfenprop-methyl,methyl 2-chloro-3-(4-chlorophenyl)propanoate,COC(=O)C(Cl)Cc1ccc(Cl)cc1,COC(=O)C(Cl)Cc1ccc(Cl)cc1,"InChI=1/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3",C10H10Cl2O2,,,,,,YJKIALIXRCSISK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.912,238-420-3,14444-56-5,Magnesium tetracyanoplatinate,magnesium tetrakis(cyano-kappaC)platinate(2-),[Mg+2].N#C[Pt-2](C#N)(C#N)C#N,[Mg+2].N#C[Pt-2](C#N)(C#N)C#N,"InChI=1/4CN.Mg.Pt/c4*1-2;;/q;;;;+2;/rC4N4Pt.Mg/c5-1-9(2-6,3-7)4-8;/q;+2",C4N4Pt.Mg,,,,,,GMGOJOPUOZKGRO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.923,238-432-9,14450-60-3,"Citric acid, lead salt",-,[Pb].O=C(O)CC(O)(CC(=O)O)C(O)=O,[Pb].O=C(O)CC(O)(CC(=O)O)C(O)=O,"InChI=1/C6H8O7.Pb.2H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;+4;;/rC6H8O7.H2Pb/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/q;+4",C6H8O7.xPb,,,,,,JNLCUVJKTXKKSG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.924,238-433-4,14451-00-4,Iron fumarate,iron(2+) but-2-enedioate,[Fe+2].[O-]C(=O)\\C=C\\C(=O)[O-],[Fe+2].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2",C4H4O4.xFe,,,,,,PMVSDNDAUGGCCE-TYYBGVCCSA-L,,,,,,,,,,,
100.034.926,238-436-0,14452-34-7,"6-nitro-2,4-xylenol","2,4-dimethyl-6-nitrophenol",Cc1cc(C)c(O)c(c1)N(=O)=O,Cc1cc(C)c(O)c(c1)N(=O)=O,"InChI=1/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3",C8H9NO3,,,,,,KJRCHILWKQLEBC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.930,238-440-2,14455-29-9,"Carbonic acid, aluminium salt",-,[Al+3].[O-]C(=O)[O-],[Al+3].[O-]C(=O)[O-],"InChI=1/CH2O3.Al/c2-1(3)4;/h(H2,2,3,4);/q;+3/p-2",CH2O3.xAl,,,,,,BLBTYSAROMXPSY-UHFFFAOYSA-L,,,,,,,,,,,
100.034.934,238-444-4,14456-51-0,Thulium tribromide,thulium tribromide,[Br-].[Br-].[Br-].[Tm+3],[Br-].[Br-].[Br-].[Tm+3],InChI=1/3BrH.Tm/h3*1H;/q;;;+3/p-3,Br3Tm,,,,,,HQSWGSFQSCMHFQ-UHFFFAOYSA-K,,,,,,,,,,,
100.037.430,241-189-1,17125-80-3,Barium hexafluorosilicate,barium hexafluorosilicate,[Ba+2].F[Si-2](F)(F)(F)(F)F,[Ba+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/Ba.F6Si/c;1-7(2,3,4,5)6/q+2;-2",Ba.F6Si,,,,,,RRLMRHFZRPYSNK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.432,241-191-2,17126-90-8,2-oxoheptanedioic acid,2-oxoheptanedioic acid,OC(=O)CCCCC(=O)C(=O)O,OC(=O)CCCCC(=O)C(=O)O,"InChI=1/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)",C7H10O5,,,,,,HABHUTWTLGRDDU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.436,241-195-4,17137-11-0,"1,3-dihydro-1,3-dioxo-2H-isoindole-2-propionyl chloride","3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl chloride",ClC(=O)CCN1C(=O)c2ccccc2C1=O,ClC(=O)CCN1C(=O)c2ccccc2C1=O,"InChI=1/C11H8ClNO3/c12-9(14)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4H,5-6H2",C11H8ClNO3,,,,,,ZEQHPUCQCWTFRP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.456,241-218-8,17162-29-7,5-methyl-2-(1-methylethyl)cyclohexyl lactate,2-isopropyl-5-methylcyclohexyl 2-hydroxypropanoate,CC(C)C1CCC(C)CC1OC(=O)C(C)O,CC(C)C1CCC(C)CC1OC(=O)C(C)O,"InChI=1/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3",C13H24O3,,,,,,UJNOLBSYLSYIBM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.464,241-227-7,17181-26-9,Octadecyl hydrogen phthalate,2-[(octadecyloxy)carbonyl]benzoic acid,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O,CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(29)24-21-18-17-20-23(24)25(27)28/h17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)",C26H42O4,,,,,,GXXNMQBOGJLFAY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.465,241-228-2,17181-54-3,"1,3-hydroxy-2-propyl dihydrogen phosphate",2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate,OCC(CO)OP(=O)(O)O,OCC(CO)OP(=O)(O)O,"InChI=1/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)",C3H9O6P,,,,,,DHCLVCXQIBBOPH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.296,241-042-1,16968-18-6,"N-(3-aminopropyl)-N'-methylpropane-1,3-diamine","N-(3-aminopropyl)-N'-methylpropane-1,3-diamine",CNCCCNCCCN,CNCCCNCCCN,"InChI=1/C7H19N3/c1-9-5-3-7-10-6-2-4-8/h9-10H,2-8H2,1H3",C7H19N3,,,,,,RUFPEZGNIWGNQW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.297,241-043-7,16968-19-7,"O,o'-dinitrobibenzyl","1,1'-ethane-1,2-diylbis(2-nitrobenzene)",O=N(=O)c1ccccc1CCc2ccccc2N(=O)=O,O=N(=O)c1ccccc1CCc2ccccc2N(=O)=O,"InChI=1/C14H12N2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2",C14H12N2O4,,,,,,YBOZRPPSBVIHGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.307,241-054-7,16974-11-1,(Z)-dodec-9-enyl acetate,dodec-9-en-1-yl acetate,CC\\C=C/CCCCCCCCOC(=O)C,CC\C=C/CCCCCCCCOC(=O)C,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3",C14H26O2,,,,,,MFFQOUCMBNXSBK-PLNGDYQASA-N,,,,,,,,,,,
100.031.155,234-283-9,11066-21-0,Sodium tetradecenesulphonate,sodium tetradec-1-ene-1-sulfonate,[Na+].O=S(=O)([O-])C=CCCCCCCCCCCCC,[Na+].O=S(=O)([O-])C=CCCCCCCCCCCCC,"InChI=1/C14H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1",C14H28O3S.Na,,,,,,RUTSRVMUIGMTHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.031.157,234-286-5,11067-19-9,Sodium hexadecenesulphonate,sodium hexadec-1-ene-1-sulfonate,[Na+].O=S([O-])(=O)C=CCCCCCCCCCCCCCC,[Na+].O=S([O-])(=O)C=CCCCCCCCCCCCCCC,"InChI=1/C16H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h15-16H,2-14H2,1H3,(H,17,18,19);/q;+1/p-1",C16H32O3S.Na,,,,,,MVHWMCQWFWUXEE-UHFFFAOYSA-M,,,,,,,,,,,
100.031.159,234-288-6,11067-81-5,Tetrapropylenebenzenesulphonic acid,dodecyl benzenesulfonate,CCCCCCCCCCCCOS(=O)(=O)c1ccccc1,CCCCCCCCCCCCOS(=O)(=O)c1ccccc1,"InChI=1/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3",C18H30O3S,,,,,,YRIUSKIDOIARQF-UHFFFAOYSA-N,,,,,,,,,,,
100.031.160,234-289-1,11067-82-6,Sodium tetrapropylenebenzenesulphonate,sodium 4-dodecylbenzenesulfonate,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O[Na],CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O[Na],"InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1/rC18H29NaO3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)23(20,21)22-19/h13-16H,2-12H2,1H3",C18H30O3S.Na,,,,,,JHJUUEHSAZXEEO-UHFFFAOYSA-M,,,,,,,,,,,
100.031.161,234-290-7,11070-44-3,Tetrahydromethylphthalic anhydride,"3a-methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione",CC12CCCC=C1C(=O)OC2=O,CC12CCCC=C1C(=O)OC2=O,"InChI=1/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h4H,2-3,5H2,1H3",C9H10O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16034,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.161,LOYDTBZMMPQJNI-UHFFFAOYSA-N,,,,,,,,,,,
100.031.178,234-309-9,11087-88-0,Isooctyl epoxyoctadecanoate,6-methylheptyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OCCCCCC(C)C,CCCCCCCCC1OC1CCCCCCCC(=O)OCCCCCC(C)C,"InChI=1/C26H50O3/c1-4-5-6-7-9-14-19-24-25(29-24)20-15-10-8-11-16-21-26(27)28-22-17-12-13-18-23(2)3/h23-25H,4-22H2,1-3H3",C26H50O3,,,,,,ABXXXZLVKKIAGK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.383,240-038-7,15900-11-5,"4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-1,2-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","5-methyl-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CC=4NN(c1ccccc1)C(=O)C=4C=C3C(\\C)=N/N(c2ccccc2)C3=O,CC=4NN(c1ccccc1)C(=O)C=4C=C3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,22H,1-2H3",C21H18N4O2,,,,,,DFSHSSAUZJFPSK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.392,240-048-1,15907-03-6,"Formic acid, copper salt",copper(1+) formate,[Cu].OC=O,[Cu].OC=O,"InChI=1/CH2O2.Cu/c2-1-3;/h1H,(H,2,3);/q;+1",CH2O2.xCu,,,,,,BJYLNGGDLHKELP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.393,240-049-7,15907-04-7,Lead benzoate,lead(4+) tetrabenzoate,[Pb].OC(=O)C\\1=C\\C=C/C=C/1,[Pb].OC(=O)C\1=C\C=C/C=C/1,"InChI=1/C7H6O2.Pb.2H/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H,(H,8,9);;;/q;+4;;/rC7H6O2.H2Pb/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H2/q;+4",C7H6O2.xPb,,,,,,KRJUSWXDFZSJQD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.395,240-051-8,15909-83-8,3-hydroxypropanesulphonic acid,3-hydroxypropane-1-sulfonic acid,OCCCS(=O)(=O)O,OCCCS(=O)(=O)O,"InChI=1/C3H8O4S/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H,5,6,7)",C3H8O4S,,,,,,WQPMYSHJKXVTME-UHFFFAOYSA-N,,,,,,,,,,,
100.036.402,240-059-1,15917-27-8,Methyl threo-ß-hydroxy-4-nitro-3-phenyl-DL-alaninate,methyl beta-hydroxy-4-nitrophenylalaninate,COC(=O)C(N)C(O)c1ccc(cc1)N(=O)=O,COC(=O)C(N)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C10H12N2O5/c1-17-10(14)8(11)9(13)6-2-4-7(5-3-6)12(15)16/h2-5,8-9,13H,11H2,1H3",C10H12N2O5,,,,,,QGOBGGUPLZGSOC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.403,240-060-7,15921-15-0,Magnesium dibutanolate,magnesium dibutan-1-olate,[Mg+2].CCCC[O-].CCCC[O-],[Mg+2].CCCC[O-].CCCC[O-],"InChI=1/2C4H9O.Mg/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2",C4H10O.1/2Mg,,,,,,HFTSQAKJLBPKBD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.410,240-068-0,15930-71-9,3-(octyloxy)propylammonium acetate,3-(octyloxy)propan-1-aminium acetate,CCCCCCCCOCCC[NH3+].CC(=O)[O-],CCCCCCCCOCCC[NH3+].CC(=O)[O-],"InChI=1/C11H25NO.C2H4O2/c1-2-3-4-5-6-7-10-13-11-8-9-12;1-2(3)4/h2-12H2,1H3;1H3,(H,3,4)",C11H25NO.C2H4O2,,,,,,RUFBKNMLVUJMAM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.411,240-069-6,15931-59-6,(diethylamino)methanol,(diethylamino)methanol,CCN(CC)CO,CCN(CC)CO,"InChI=1/C5H13NO/c1-3-6(4-2)5-7/h7H,3-5H2,1-2H3",C5H13NO,,,,,,NTMDBTSKNAXHGK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.896,238-403-0,14432-12-3,2-chloropyridin-4-amine,2-chloropyridin-4-amine,Nc1ccnc(Cl)c1,Nc1ccnc(Cl)c1,"InChI=1/C5H5ClN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)",C5H5ClN2,,,,,,BLBDTBCGPHPIJK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.899,238-406-7,14434-10-7,"2,4-dinitro-N-(2-nitrophenyl)aniline","2,4-dinitro-N-(2-nitrophenyl)aniline",[O-][N+](=O)c1ccc(Nc2ccccc2[N+](=O)[O-])c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Nc2ccccc2[N+](=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C12H8N4O6/c17-14(18)8-5-6-10(12(7-8)16(21)22)13-9-3-1-2-4-11(9)15(19)20/h1-7,13H",C12H8N4O6,,,,,,RHTGPRLQFAYVBM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.385,241-139-9,17083-68-0,Hydrogen tetrabromoaurate,tetrabromoaurate(1-),Br[Au-](Br)(Br)Br,Br[Au-](Br)(Br)Br,"InChI=1/Au.4BrH/h;4*1H/q+3;;;;/p-4/rAuBr4/c2-1(3,4)5/q-1",AuBr4.H,,,,,,ISCGOTZIVSCDBJ-UHFFFAOYSA-J,,,,,,,,,,,
100.037.387,241-142-5,17084-02-5,[N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)glycinato(3-)]iron,iron(3+) [{2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino]acetate,[Fe+3].OCCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Fe+3].OCCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H18N2O7.Fe/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);/q;+3/p-3",C10H15FeN2O7,,,,,,YPFNIPKMNMDDDB-UHFFFAOYSA-K,,,,,,,,,,,
100.037.393,241-148-8,17087-37-5,(1R)-1-C-(4-carboxythiazolidin-2-yl)-D-arabinitol,"1-C-(4-carboxy-1,3-thiazolidin-2-yl)-D-arabinitol",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C1NC(CS1)C(=O)O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C1NC(CS1)C(=O)O,"InChI=1/C9H17NO7S/c11-1-4(12)5(13)6(14)7(15)8-10-3(2-18-8)9(16)17/h3-8,10-15H,1-2H2,(H,16,17)",C9H17NO7S,,,,,,JEPVUMTVFPQKQE-FOCKFDDASA-N,,,,,,,,,,,
100.037.394,241-149-3,17088-06-1,Iron(3+) trisulphamate,iron(3+) trisulfamate,[Fe+3].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Fe+3].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Fe.3H3NO3S/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-3",Fe.3H3NO3S,,,,,,HUWJLRVVEMIJTL-UHFFFAOYSA-K,,,,,,,,,,,
100.037.403,241-159-8,17091-40-6,2-isobutylaminoethanol,2-(isobutylamino)ethanol,CC(C)CNCCO,CC(C)CNCCO,"InChI=1/C6H15NO/c1-6(2)5-7-3-4-8/h6-8H,3-5H2,1-2H3",C6H15NO,,,,,,VJWZYGQIJWDACM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.411,241-168-7,17096-47-8,2-(methylnitroamino)ethyl nitrate,2-[methyl(nitro)amino]ethyl nitrate,CN(CCO[N+](=O)[O-])[N+](=O)[O-],CN(CCO[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C3H7N3O5/c1-4(5(7)8)2-3-11-6(9)10/h2-3H2,1H3",C3H7N3O5,,,,,,XYKVWCZODOKFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.412,241-169-2,17097-11-9,Magnesium peroxoborate,magnesium peroxoborate,[Mg+2].OOB([O-])[O-],[Mg+2].OOB([O-])[O-],InChI=1/BHO4.Mg/c2-1(3)5-4;/h4H;/q-2;+2,BHO3.1/2Mg,,,,,,JHGGGTJZVAMQMM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.414,241-171-3,17099-81-9,"Hydrogen [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']ferrate(1-)","[2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetato(3-)]iron",OC(=O)CN1CCN2CC(=O)O[Fe](OC(=O)C1)OC(=O)C2,OC(=O)CN1CCN2CC(=O)O[Fe](OC(=O)C1)OC(=O)C2,"InChI=1/C10H16N2O8.Fe/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+3/p-3",C10H12FeN2O8.H,,,,,,UOMQUZPKALKDCA-UHFFFAOYSA-K,,,,,,,,,,,
100.037.417,241-175-5,17103-31-0,Diuronium sulphate,bis[amino(hydroxy)methaniminium] sulfate,NC(=[NH2+])O.NC(=[NH2+])O.[O-]S(=O)(=O)[O-],NC(=[NH2+])O.NC(=[NH2+])O.[O-]S(=O)(=O)[O-],"InChI=1/2CH4N2O.H2O4S/c2*2-1(3)4;1-5(2,3)4/h2*(H4,2,3,4);(H2,1,2,3,4)",CH4N2O.1/2H2O4S,,,,,,RAIJNPIYGCCULM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.420,241-178-1,17109-49-8,Edifenphos,"O-ethyl S,S-diphenyl dithiophosphate",CCOP(=O)(Sc1ccccc1)Sc2ccccc2,CCOP(=O)(Sc1ccccc1)Sc2ccccc2,"InChI=1/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3",C14H15O2PS2,,,,,,AWZOLILCOUMRDG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.368,240-021-4,15883-59-7,"Sodium 4,4'-dinitrostilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-nitrobenzenesulfonate)",[Na+].[Na+].[O-][N+](=O)c1ccc(\\C=C\\c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C14H10N2O10S2.2Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C14H10N2O10S2.xNa,,,,,,SDCDTWFAOKXZHD-SEPHDYHBSA-L,,,,,,,,,,,
100.037.255,240-997-1,16930-96-4,Hexyl crotonate,hexyl but-2-enoate,CCCCCCOC(=O)\\C=C\\C,CCCCCCOC(=O)\C=C\C,"InChI=1/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3",C11H20O2,,,,,,MZNHUHNWGVUEAT-XBXARRHUSA-N,,,,,,,,,,,
100.037.256,240-998-7,16930-97-5,Hexyl hex-2-enoate,hexyl hex-2-enoate,CCCCCCOC(=O)C=CCCC,CCCCCCOC(=O)C=CCCC,"InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h8,10H,3-7,9,11H2,1-2H3",C12H22O2,,,,,,NGQTTWDHJIMWOI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.257,240-999-2,16930-99-7,Heptyl 2-butenoate,heptyl but-2-enoate,CC=CC(=O)OCCCCCCC,CC=CC(=O)OCCCCCCC,"InChI=1/C11H20O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3",C11H20O2,,,,,,DOBPEHKISOHXTE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.266,241-009-1,16941-11-0,Ammonium hexafluorophosphate,ammonium hexafluorophosphate,[NH4+].F[P-](F)(F)(F)(F)F,[NH4+].F[P-](F)(F)(F)(F)F,"InChI=1/F6P.H3N/c1-7(2,3,4,5)6;/h;1H3/q-1;/p+1",F6P.H4N,,,,,,NIZXKAYXSNUDOU-UHFFFAOYSA-O,,,,,,,,,,,
100.061.421,267-583-3,67892-50-6,Barium bis[2-chloro-6-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate],barium bis{3-chloro-5-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate},[Ba+2].Cc3c(N=Nc1c2ccccc2ccc1O)cc(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)c(N=Nc1c2ccccc2ccc1O)c3,[Ba+2].Cc3c(N=Nc1c2ccccc2ccc1O)cc(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)c(N=Nc1c2ccccc2ccc1O)c3,"InChI=1/2C17H13ClN2O4S.Ba/c2*1-10-14(18)8-12(25(22,23)24)9-15(10)19-20-17-13-5-3-2-4-11(13)6-7-16(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",C17H13ClN2O4S.1/2Ba,,,,,,PMSXJJRVZZKRRK-UHFFFAOYSA-L,,,,,,,,,,,
100.061.424,267-587-5,67892-53-9,"N,N''-(methyl-m-phenylene)bis[N'-(1-methyltetradecyl)urea]","N,N''-(2-methyl-1,3-phenylene)bis[3-(1-methyltetradecyl)urea]",CCCCCCCCCCCCCC(C)NC(=O)Nc1cccc(NC(=O)NC(C)CCCCCCCCCCCCC)c1C,CCCCCCCCCCCCCC(C)NC(=O)Nc1cccc(NC(=O)NC(C)CCCCCCCCCCCCC)c1C,"InChI=1/C39H72N4O2/c1-6-8-10-12-14-16-18-20-22-24-26-29-33(3)40-38(44)42-36-31-28-32-37(35(36)5)43-39(45)41-34(4)30-27-25-23-21-19-17-15-13-11-9-7-2/h28,31-34H,6-27,29-30H2,1-5H3,(H2,40,42,44)(H2,41,43,45)",C39H72N4O2,,,,,,FXELAOIQWZLGSE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.437,267-602-5,67892-99-3,"16-(tetrahydro-2-furyl)-3,6,9,12,15-pentaoxahexadecyl acrylate","16-(tetrahydrofuran-2-yl)-3,6,9,12,15-pentaoxahexadec-1-yl acrylate",C=CC(=O)OCCOCCOCCOCCOCCOCC1CCCO1,C=CC(=O)OCCOCCOCCOCCOCCOCC1CCCO1,"InChI=1/C18H32O8/c1-2-18(19)26-15-14-23-11-10-21-7-6-20-8-9-22-12-13-24-16-17-4-3-5-25-17/h2,17H,1,3-16H2",C18H32O8,,,,,,CTVTVTUUJWVDSV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.444,267-609-3,67893-06-5,"Decahydro-6,9,9-trimethyl-1,4-methanonaphthalene","6,9,9-trimethyldecahydro-1,4-methanonaphthalene",CC1CCC2C(C1)C3CCC2C3(C)C,CC1CCC2C(C1)C3CCC2C3(C)C,"InChI=1/C14H24/c1-9-4-5-10-11(8-9)13-7-6-12(10)14(13,2)3/h9-13H,4-8H2,1-3H3",C14H24,,,,,,CRDREESKXHONIB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.446,267-611-4,67893-08-7,"Ethyl 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate","ethyl 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate",CCOC(=O)c1ccc(N=CCC(C)CCCC(C)(C)O)cc1,CCOC(=O)c1ccc(N=CCC(C)CCCC(C)(C)O)cc1,"InChI=1/C19H29NO3/c1-5-23-18(21)16-8-10-17(11-9-16)20-14-12-15(2)7-6-13-19(3,4)22/h8-11,14-15,22H,5-7,12-13H2,1-4H3",C19H29NO3,,,,,,XVBLHUKRTCOMPF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.889,262-598-1,61086-18-8,N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide,N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide,CCC(=O)N(c1ccccc1)C2(COC)CCNCC2,CCC(=O)N(c1ccccc1)C2(COC)CCNCC2,"InChI=1/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3",C16H24N2O2,,,,,,ULOZGJWEIWAWML-UHFFFAOYSA-N,,,,,,,,,,,
100.056.890,262-599-7,61087-51-2,1-benzyl-4-(phenylamino)piperidine-4-carboxylic acid monohydrochloride,4-anilino-1-benzylpiperidine-4-carboxylic acid hydrochloride,Cl.OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,Cl.OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C19H22N2O2.ClH/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);1H",C19H22N2O2.ClH,,,,,,XPWBXWQFCBZDLL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.894,262-603-7,61097-79-8,"2,2,3,5,6-pentafluoro-3,6-bis(trifluoromethyl)-5-[(trifluorovinyl)oxy]-1,4-dioxane","2,2,3,5,6-pentafluoro-3,6-bis(trifluoromethyl)-5-[(trifluorovinyl)oxy]-1,4-dioxane",FC(=C(F)OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F)F,FC(=C(F)OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F)F,"InChI=1/C8F14O3/c9-1(10)2(11)23-8(22)4(13,6(17,18)19)24-7(20,21)3(12,25-8)5(14,15)16",C8F14O3,,,,,,ODICQQXTKDJYND-UHFFFAOYSA-N,,,,,,,,,,,
100.056.895,262-604-2,61097-96-9,"1,1,1,2,4,5,5,5-octafluoro-2,4-bis[[2,3,5,5,6-pentafluoro-3,6-bis(trifluoromethyl)-1,4-dioxan-2-yl]oxy]pentan-3-one","1,5-dideoxy-1,1,1,5,5,5-hexafluoro-2,4-di-C-fluoro-2,4-bis-O-[2,3,5,5,6-pentafluoro-3,6-bis(trifluoromethyl)-1,4-dioxan-2-yl]pent-3-ulose",FC(F)(F)C(F)(OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F)C(=O)C(F)(OC2(F)OC(F)(C(F)(F)F)C(F)(F)OC2(F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F)C(=O)C(F)(OC2(F)OC(F)(C(F)(F)F)C(F)(F)OC2(F)C(F)(F)F)C(F)(F)F,"InChI=1/C17F30O7/c18-2(8(24,25)26,49-16(46)6(22,12(36,37)38)51-14(42,43)4(20,53-16)10(30,31)32)1(48)3(19,9(27,28)29)50-17(47)7(23,13(39,40)41)52-15(44,45)5(21,54-17)11(33,34)35",C17F30O7,,,,,,CBUWIAZYOKAVDV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.905,262-615-2,61120-81-8,2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl decanoate,2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl decanoate,CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,"InChI=1/C31H44ClN3O2S/c1-2-3-4-5-6-7-8-14-31(36)37-24-23-34-21-19-33(20-22-34)17-11-18-35-27-12-9-10-13-29(27)38-30-16-15-26(32)25-28(30)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3",C31H44ClN3O2S,,,,,,WAVWONFNDBPAGA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.907,262-617-3,61121-67-3,Cyclohexyldimethylammonium lactate,"N,N-dimethylcyclohexanaminium 2-hydroxypropanoate",CC(O)C(=O)[O-].C[NH+](C)C1CCCCC1,CC(O)C(=O)[O-].C[NH+](C)C1CCCCC1,"InChI=1/C8H17N.C3H6O3/c1-9(2)8-6-4-3-5-7-8;1-2(4)3(5)6/h8H,3-7H2,1-2H3;2,4H,1H3,(H,5,6)",C8H17N.C3H6O3,,,,,,XIBLPLQIVXGRBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.917,262-628-3,61152-38-3,"2-butyl-2,4-dimethyl-1,3-dioxane","2-butyl-2,4-dimethyl-1,3-dioxane",CCCCC1(C)OCCC(C)O1,CCCCC1(C)OCCC(C)O1,"InChI=1/C10H20O2/c1-4-5-7-10(3)11-8-6-9(2)12-10/h9H,4-8H2,1-3H3",C10H20O2,,,,,,OJNPEUTUBVMNQK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.308,241-055-2,16978-11-3,"Methyl 3-acetyl-2,2-dimethylcyclobutaneacetate","methyl (3-acetyl-2,2-dimethylcyclobutyl)acetate",COC(=O)CC1CC(C(=O)C)C1(C)C,COC(=O)CC1CC(C(=O)C)C1(C)C,"InChI=1/C11H18O3/c1-7(12)9-5-8(11(9,2)3)6-10(13)14-4/h8-9H,5-6H2,1-4H3",C11H18O3,,,,,,DVAHCHCZPNEYNF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.324,241-073-0,16993-67-2,"3-(hydroxymethyl)pentane-2,4-diol, sodium salt",-,[Na+].CC(O)C(CO)C(C)O,[Na+].CC(O)C(CO)C(C)O,"InChI=1/C6H14O3.Na/c1-4(8)6(3-7)5(2)9;/h4-9H,3H2,1-2H3;/q;+1",C6H14O3.xNa,,,,,,SVWBEYLJCXTMPI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.325,241-074-6,16994-56-2,Reserpine hydrochloride,"methyl 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate hydrochloride",Cl.CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,Cl.CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,"InChI=1/C33H40N2O9.ClH/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1H",C33H40N2O9.ClH,,,,,,ZYWIWGUMKCZKOO-BQTSRIDJSA-N,,,,,,,,,,,
100.037.333,241-083-5,17006-17-6,"17-hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile","17-hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile",COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4(O)C#N)C1,COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4(O)C#N)C1,"InChI=1/C20H27NO2/c1-19-9-7-16-15-6-4-14(23-2)11-13(15)3-5-17(16)18(19)8-10-20(19,22)12-21/h4,16-18,22H,3,5-11H2,1-2H3",C20H27NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18264,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.333,MEEGGHJZTZFSBQ-WYGKVCCSSA-N,,,,,,,,,,,
100.037.335,241-085-6,17011-51-7,"Disodium 2,2'-[(3,3'-dimethoxy-4,4'-biphenylylene)bis[azo(methylimino)]]di(ethanesulphonate)","disodium 2,2'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(diazene-2,1-diylmethylylidenenitrilo)]diethanesulfonate",COc1cc(ccc1N=NC=NCCS(=O)(=O)O[Na])c2ccc(N=NC=NCCS(=O)(=O)O[Na])c(OC)c2,COc1cc(ccc1N=NC=NCCS(=O)(=O)O[Na])c2ccc(N=NC=NCCS(=O)(=O)O[Na])c(OC)c2,"InChI=1/C20H24N6O8S2.2Na/c1-33-19-11-15(3-5-17(19)25-23-13-21-7-9-35(27,28)29)16-4-6-18(20(12-16)34-2)26-24-14-22-8-10-36(30,31)32;;/h3-6,11-14H,7-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/rC20H22N6Na2O8S2/c1-33-19-11-15(3-5-17(19)25-23-13-21-7-9-37(29,30)35-27)16-4-6-18(20(12-16)34-2)26-24-14-22-8-10-38(31,32)36-28/h3-6,11-14H,7-10H2,1-2H3",C20H28N6O8S2.2Na,,,,,,UIEIWIDQHVCSAJ-UHFFFAOYSA-L,,,,,,,,,,,
100.054.640,260-123-2,56353-15-2,N-(N-acetyl-ß-alanyl)-L-histidine,N-acetyl-beta-alanyl-L-histidine,CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)",C11H16N4O4,,,,,,BKAYIFDRRZZKNF-VIFPVBQESA-N,,,,,,,,,,,
100.054.643,260-126-9,56358-17-9,N-(2-ethylhexyl)naphthalen-2-amine,N-(2-ethylhexyl)naphthalen-2-amine,CCCCC(CC)CNc1ccc2ccccc2c1,CCCCC(CC)CNc1ccc2ccccc2c1,"InChI=1/C18H25N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-13,15,19H,3-5,8,14H2,1-2H3",C18H25N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10507,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.643,PEIBVKBWHHZYQC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.646,260-130-0,56361-55-8,"(1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyloxy-2,1-ethanediyl) diacrylate","propane-2,2-diylbis(4,1-phenyleneoxyethane-2,1-diyloxyethane-2,1-diyl) bisacrylate",CC(C)(c1ccc(OCCOCCOC(=O)C=C)cc1)c2ccc(OCCOCCOC(=O)C=C)cc2,CC(C)(c1ccc(OCCOCCOC(=O)C=C)cc1)c2ccc(OCCOCCOC(=O)C=C)cc2,"InChI=1/C29H36O8/c1-5-27(30)36-21-17-32-15-19-34-25-11-7-23(8-12-25)29(3,4)24-9-13-26(14-10-24)35-20-16-33-18-22-37-28(31)6-2/h5-14H,1-2,15-22H2,3-4H3",C29H36O8,,,,,,DTCQGQSGPULSES-UHFFFAOYSA-N,,,,,,,,,,,
100.054.649,260-133-7,56367-29-4,Calcium 2-(3-phenoxyphenyl)propionate,calcium bis[2-(3-phenoxyphenyl)propanoate],[Ca+2].CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c3cccc(Oc4ccccc4)c3,[Ca+2].CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c3cccc(Oc4ccccc4)c3,"InChI=1/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2",C15H14O3.1/2Ca,,,,,,VHUXSAWXWSTUOD-UHFFFAOYSA-L,,,,,,,,,,,
100.054.651,260-135-8,56375-79-2,Tributylmethylammonium chloride,"N,N-dibutyl-N-methylbutan-1-aminium chloride",[Cl-].CCCC[N+](C)(CCCC)CCCC,[Cl-].CCCC[N+](C)(CCCC)CCCC,"InChI=1/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1",C13H30N.Cl,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11431,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.651,IPILPUZVTYHGIL-UHFFFAOYSA-M,,,,,,,,,,,
100.054.653,260-137-9,56375-85-0,"4-bromo-3,5-dihydroxy-N-methylbenzamide","4-bromo-3,5-dihydroxy-N-methylbenzamide",CNC(=O)c1cc(O)c(Br)c(O)c1,CNC(=O)c1cc(O)c(Br)c(O)c1,"InChI=1/C8H8BrNO3/c1-10-8(13)4-2-5(11)7(9)6(12)3-4/h2-3,11-12H,1H3,(H,10,13)",C8H8BrNO3,,,,,,QERSTEVWBUZWQF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.657,260-142-6,56381-65-8,[(Z)-2-[2-[(1-oxo-9-octadecenyl)amino]ethoxy]ethyl] hydrogen maleate,4-{2-[2-(oleoylamino)ethoxy]ethoxy}-4-oxobut-2-enoic acid,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCOCCOC(=O)\\C=C/C(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)NCCOCCOC(=O)\C=C/C(=O)O,"InChI=1/C26H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-20-21-32-22-23-33-26(31)19-18-25(29)30/h9-10,18-19H,2-8,11-17,20-23H2,1H3,(H,27,28)(H,29,30)",C26H45NO6,,,,,,KFEBJZRLAXVSGZ-DEXHTJMYSA-N,,,,,,,,,,,
100.036.416,240-074-3,15935-52-1,"N,N'-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl)]bis(benzamide)","N,N'-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dioxo-9,10-dihydroanthracene-3,1-diyl)]dibenzamide",Nc1c(cc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13)c5oc(nn5)c6cc(NC(=O)c7ccccc7)c8C(=O)c9ccccc9C(=O)c8c6N,Nc1c(cc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c13)c5oc(nn5)c6cc(NC(=O)c7ccccc7)c8C(=O)c9ccccc9C(=O)c8c6N,"InChI=1/C44H26N6O7/c45-35-27(19-29(47-41(55)21-11-3-1-4-12-21)31-33(35)39(53)25-17-9-7-15-23(25)37(31)51)43-49-50-44(57-43)28-20-30(48-42(56)22-13-5-2-6-14-22)32-34(36(28)46)40(54)26-18-10-8-16-24(26)38(32)52/h1-20H,45-46H2,(H,47,55)(H,48,56)",C44H26N6O7,,,,,,GBMNMRCKYNZALS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.419,240-078-5,15944-33-9,"7-chloro-1,8-naphthyridin-2-amine","7-chloro-1,8-naphthyridin-2-amine",Nc1ccc2ccc(Cl)nc2n1,Nc1ccc2ccc(Cl)nc2n1,"InChI=1/C8H6ClN3/c9-6-3-1-5-2-4-7(10)12-8(5)11-6/h1-4H,(H2,10,11,12)",C8H6ClN3,,,,,,HRXBYPUUCBEZAS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.614,251-291-8,32915-78-9,"Carbonic acid, barium strontium salt",-,[Sr+2].[Ba+2].[O-]C(=O)[O-],[Sr+2].[Ba+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Ba.Sr/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+2/p-2",CH2O3.xBa.xSr,,,,,,XAJUAFGVTAXKTJ-UHFFFAOYSA-L,,,,,,,,,,,
100.046.616,251-293-9,32917-19-4,Cyclohex-1-ene-1-methylamine,1-cyclohex-1-en-1-ylmethanamine,NCC1=CCCCC1,NCC1=CCCCC1,"InChI=1/C7H13N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6,8H2",C7H13N,,,,,,AYQJCDBGGILQIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.622,251-300-5,32933-86-1,3-(2-chloroethyl)-1H-indole,3-(2-chloroethyl)-1H-indole,ClCCc1c[nH]c2ccccc12,ClCCc1c[nH]c2ccccc12,"InChI=1/C10H10ClN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2",C10H10ClN,,,,,,JRASUUTVFCLPPO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.623,251-301-0,32943-25-2,"3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine","3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine",Clc1ccc2CCc3ccccc3Nc2c1,Clc1ccc2CCc3ccccc3Nc2c1,"InChI=1/C14H12ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-4,7-9,16H,5-6H2",C14H12ClN,,,,,,MHUXTOYYIDFXRF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.751,251-442-8,33284-96-7,cis-2-(1-mercapto-1-methylethyl)-5-methylcyclohexan-1-one,5-methyl-2-(1-methyl-1-sulfanylethyl)cyclohexanone,C[C@H]1CC[C@H](C(=O)C1)C(C)(C)S,C[C@H]1CC[C@H](C(=O)C1)C(C)(C)S,"InChI=1/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3",C10H18OS,,,,,,RVOKNSFEAOYULQ-JGVFFNPUSA-N,,,,,,,,,,,
100.046.761,251-453-8,33312-01-5,"3,3'-dithiobis[N-octylpropionamide]","3,3'-disulfanediylbis(N-octylpropanamide)",CCCCCCCCNC(=O)CCSSCCC(=O)NCCCCCCCC,CCCCCCCCNC(=O)CCSSCCC(=O)NCCCCCCCC,"InChI=1/C22H44N2O2S2/c1-3-5-7-9-11-13-17-23-21(25)15-19-27-28-20-16-22(26)24-18-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26)",C22H44N2O2S2,,,,,,NQSLUQLRQBLHJD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.762,251-454-3,33317-49-6,6-[methyl[(3-nitrophenyl)sulphonyl]amino]hexanoic acid,6-{methyl[(3-nitrophenyl)sulfonyl]amino}hexanoic acid,CN(CCCCCC(=O)O)S(=O)(=O)c1cccc(c1)[N+](=O)[O-],CN(CCCCCC(=O)O)S(=O)(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C13H18N2O6S/c1-14(9-4-2-3-8-13(16)17)22(20,21)12-7-5-6-11(10-12)15(18)19/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)",C13H18N2O6S,,,,,,FNZCXSFVSXSDFY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.763,251-455-9,33317-65-6,Dichlorobis(3-chloropropyl)silane,dichloro[bis(3-chloropropyl)]silane,ClCCC[Si](Cl)(Cl)CCCCl,ClCCC[Si](Cl)(Cl)CCCCl,"InChI=1/C6H12Cl4Si/c7-3-1-5-11(9,10)6-2-4-8/h1-6H2",C6H12Cl4Si,,,,,,HDNRFVFMQJSRPE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.766,251-459-0,33329-35-0,"N,N-bis[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine","N,N-bis[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine",CN(C)CCCN(CCCN(C)C)CCCN(C)C,CN(C)CCCN(CCCN(C)C)CCCN(C)C,"InChI=1/C15H36N4/c1-16(2)10-7-13-19(14-8-11-17(3)4)15-9-12-18(5)6/h7-15H2,1-6H3",C15H36N4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16114,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.766,DTKANQSCBACEPK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.770,251-463-2,33342-05-1,Gliquidone,"N-(cyclohexylcarbamoyl)-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]benzenesulfonamide",COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C,COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C,"InChI=1/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)",C27H33N3O6S,,,,,,LLJFMFZYVVLQKT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.775,251-469-5,33369-26-5,"Ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate","ethyl 2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylate",CCOC(=O)Cc1c(C(=O)OCC)c(C)cn1C,CCOC(=O)Cc1c(C(=O)OCC)c(C)cn1C,"InChI=1/C13H19NO4/c1-5-17-11(15)7-10-12(13(16)18-6-2)9(3)8-14(10)4/h8H,5-7H2,1-4H3",C13H19NO4,,,,,,YWLMDVDPKZKLNL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.270,241-013-3,16944-14-2,"N-[(tert-butoxy)carbonyl]-L-tyrosine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-L-tyrosine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C14H19NO5.C12H23N/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18);11-13H,1-10H2",C14H19NO5.C12H23N,,,,,,WLFHJXZLIRDBRG-MERQFXBCSA-N,,,,,,,,,,,
100.037.280,241-024-3,16950-50-8,Hydrogen tetrachlorogallate(1-),tetrachlorogallate(1-),Cl[Ga-](Cl)(Cl)Cl,Cl[Ga-](Cl)(Cl)Cl,"InChI=1/4ClH.Ga/h4*1H;/q;;;;+3/p-4/rCl4Ga/c1-5(2,3)4/q-1",Cl4Ga.H,,,,,,OCENEYFJSPERMF-UHFFFAOYSA-J,,,,,,,,,,,
100.037.285,241-030-6,16960-08-0,Tris[4-(1-phenylethyl)phenyl] phosphate,tris[4-(1-phenylethyl)phenyl] phosphate,CC(c1ccccc1)c2ccc(OP(=O)(Oc3ccc(cc3)C(C)c4ccccc4)Oc5ccc(cc5)C(C)c6ccccc6)cc2,CC(c1ccccc1)c2ccc(OP(=O)(Oc3ccc(cc3)C(C)c4ccccc4)Oc5ccc(cc5)C(C)c6ccccc6)cc2,"InChI=1/C42H39O4P/c1-31(34-13-7-4-8-14-34)37-19-25-40(26-20-37)44-47(43,45-41-27-21-38(22-28-41)32(2)35-15-9-5-10-16-35)46-42-29-23-39(24-30-42)33(3)36-17-11-6-12-18-36/h4-33H,1-3H3",C42H39O4P,,,,,,LVNYEUXPFPQSNE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.469,259-936-5,55992-60-4,"N,N-dimethylisononylamine","N,N,7-trimethyloctan-1-amine",CC(C)CCCCCCN(C)C,CC(C)CCCCCCN(C)C,"InChI=1/C11H25N/c1-11(2)9-7-5-6-8-10-12(3)4/h11H,5-10H2,1-4H3",C11H25N,,,,,,MIVJGAUBYOKSHE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.471,259-938-6,55994-13-3,m-[(4-amino-m-tolyl)azo]benzenesulphonic acid,3-[(4-amino-3-methylphenyl)diazenyl]benzenesulfonic acid,Cc2cc(N=Nc1cccc(c1)S(O)(=O)=O)ccc2N,Cc2cc(N=Nc1cccc(c1)S(O)(=O)=O)ccc2N,"InChI=1/C13H13N3O3S/c1-9-7-11(5-6-13(9)14)16-15-10-3-2-4-12(8-10)20(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)",C13H13N3O3S,,,,,,FBUUCZBKPYYEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.477,259-944-9,56014-69-8,(E)-3-isobutylidenephthalide,3-(2-methylpropylidene)-2-benzofuran-1(3H)-one,CC(C)C=C1OC(=O)c2ccccc12,CC(C)C=C1OC(=O)c2ccccc12,"InChI=1/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3",C12H12O2,,,,,,LYSNVWBBICAAMS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.478,259-945-4,56014-87-0,(Z)-3-(isobutylidene)phthalide,3-(2-methylpropylidene)-2-benzofuran-1(3H)-one,CC(C)C=C1OC(=O)c2ccccc12,CC(C)C=C1OC(=O)c2ccccc12,"InChI=1/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3",C12H12O2,,,,,,LYSNVWBBICAAMS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.490,259-959-0,56046-83-4,"2-[(2,5-dichlorophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide","2-[(2,5-dichlorophenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",CC(=O)C(N=Nc1cc(Cl)ccc1Cl)C(=O)Nc2ccc3NC(=O)Nc3c2,CC(=O)C(N=Nc1cc(Cl)ccc1Cl)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C17H13Cl2N5O3/c1-8(25)15(24-23-13-6-9(18)2-4-11(13)19)16(26)20-10-3-5-12-14(7-10)22-17(27)21-12/h2-7,15H,1H3,(H,20,26)(H2,21,22,27)",C17H13Cl2N5O3,,,,,,UTLKRMVLIRAYFN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.494,259-963-2,56047-23-5,Monosodium hydrogen 4-chlorophthalate,sodium hydrogen 4-chlorophthalate,[Na+].[O-]C(=O)c1ccc(Cl)cc1C(=O)[O-],[Na+].[O-]C(=O)c1ccc(Cl)cc1C(=O)[O-],"InChI=1/C8H5ClO4.Na/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;/h1-3H,(H,10,11)(H,12,13);/q;+1/p-2",C8H5ClO4.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17780,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.494,MWZMHSGEQHVWED-UHFFFAOYSA-L,,,,,,,,,,,
100.054.495,259-964-8,56049-85-5,Ammonium 2-[2-[2-(hexadecyloxy)ethoxy]ethoxy]ethyl sulphate,ammonium 2-{2-[2-(hexadecyloxy)ethoxy]ethoxy}ethyl sulfate,[NH4+].CCCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C22H46O7S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-17-18-27-19-20-28-21-22-29-30(23,24)25;/h2-22H2,1H3,(H,23,24,25);1H3",C22H46O7S.H3N,,,,,,PHXSEUBFRVSZFW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.627,260-109-6,56318-71-9,Decyldimethylsilane,decyl(dimethyl)silane,CCCCCCCCCC[SiH](C)C,CCCCCCCCCC[SiH](C)C,"InChI=1/C12H28Si/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3",C12H28Si,,,,,,FZDOMAHZZWTMPX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.635,260-118-5,56332-32-2,"3-(m-chlorophenyl)-2-triazene-1-carbonitrile, sodium salt",-,[Na+].Clc1cc(N=NNC#N)ccc1,[Na+].Clc1cc(N=NNC#N)ccc1,"InChI=1/C7H5ClN4.Na/c8-6-2-1-3-7(4-6)11-12-10-5-9;/h1-4H,(H,10,11);/q;+1",C7H5ClN4.Na,,,,,,KPOOKCSCRKXVHF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.638,260-121-1,56343-50-1,"N,N-bis(chloromethyl)acetamide","N,N-bis(chloromethyl)acetamide",CC(=O)N(CCl)CCl,CC(=O)N(CCl)CCl,"InChI=1/C4H7Cl2NO/c1-4(8)7(2-5)3-6/h2-3H2,1H3",C4H7Cl2NO,,,,,,IEKRAJMVKUYCNE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.901,238-408-8,14434-41-4,"2-methyl-6-methyleneocta-2,7-dien-4-ol","2-methyl-6-methyleneocta-2,7-dien-4-ol",CC(=CC(O)CC(=C)C=C)C,CC(=CC(O)CC(=C)C=C)C,"InChI=1/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3",C10H16O,,,,,,NHMKYUHMPXBMFI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.904,238-411-4,14437-03-7,Methyl tosylcarbamate,methyl [(4-methylphenyl)sulfonyl]carbamate,COC(=O)NS(=O)(=O)c1ccc(C)cc1,COC(=O)NS(=O)(=O)c1ccc(C)cc1,"InChI=1/C9H11NO4S/c1-7-3-5-8(6-4-7)15(12,13)10-9(11)14-2/h3-6H,1-2H3,(H,10,11)",C9H11NO4S,,,,,,KNVDHKOSDVFZTO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.919,262-630-4,61166-00-5,"3,3'-[1,2-ethanediylbis(oxy)]bisphenol","3,3'-[ethane-1,2-diylbis(oxy)]diphenol",Oc1cccc(OCCOc2cccc(O)c2)c1,Oc1cccc(OCCOc2cccc(O)c2)c1,"InChI=1/C14H14O4/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h1-6,9-10,15-16H,7-8H2",C14H14O4,,,,,,DBFHCPVZZSVFJL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.826,264-728-2,64195-85-3,"Ethyl 5-methyl-2,4-dioxohexanoate","ethyl 5-methyl-2,4-dioxohexanoate",CCOC(=O)C(=O)CC(=O)C(C)C,CCOC(=O)C(=O)CC(=O)C(C)C,"InChI=1/C9H14O4/c1-4-13-9(12)8(11)5-7(10)6(2)3/h6H,4-5H2,1-3H3",C9H14O4,,,,,,HBJPUWYQVWIKSD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.828,264-730-3,64211-46-7,"(Z)-1-[2-(2,4-dichlorophenyl)-2-[[(2,4-dichlorophenyl)oxy]imino]ethyl]-1H-imidazole mononitrate","1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone O-(2,4-dichlorophenyl)oxime nitrate",O[N+](=O)[O-].Clc1ccc(O\\N=C(/Cn2ccnc2)\\c3ccc(Cl)cc3Cl)c(Cl)c1,O[N+](=O)[O-].Clc1ccc(O\N=C(/Cn2ccnc2)\c3ccc(Cl)cc3Cl)c(Cl)c1,"InChI=1/C17H11Cl4N3O.HNO3/c18-11-1-3-13(14(20)7-11)16(9-24-6-5-22-10-24)23-25-17-4-2-12(19)8-15(17)21;2-1(3)4/h1-8,10H,9H2;(H,2,3,4)",C18H13Cl4N3O.HNO3,,,,,,HKGHLICSVZZSNH-BVXBIMGVSA-N,,,,,,,,,,,
100.058.830,264-732-4,64217-61-4,Bromoisothiocyanatobenzene,1-bromo-2-isothiocyanatobenzene,Brc1ccccc1N=C=S,Brc1ccccc1N=C=S,InChI=1/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,C7H4BrNS,,,,,,PAFORXDSYWMYGP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.833,264-736-6,64224-21-1,Oltipraz,"4-methyl-5-pyrazin-2-yl-3H-1,2-dithiole-3-thione",CC1=C(SSC1=S)c2cnccn2,CC1=C(SSC1=S)c2cnccn2,"InChI=1/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3",C8H6N2S3,,,,,,CKNAQFVBEHDJQV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.837,264-740-8,64228-77-9,"1,5-pentanediyl bis[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate]","pentane-1,5-diyl bis{3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]propanoate}",COc1ccc(CC2N(CCC(=O)OCCCCCOC(=O)CCN3CCc4cc(OC)c(OC)cc4C3Cc5ccc(OC)c(OC)c5)CCc6cc(OC)c(OC)cc26)cc1OC,COc1ccc(CC2N(CCC(=O)OCCCCCOC(=O)CCN3CCc4cc(OC)c(OC)cc4C3Cc5ccc(OC)c(OC)c5)CCc6cc(OC)c(OC)cc26)cc1OC,"InChI=1/C51H66N2O12/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3",C51H66N2O12,,,,,,KFNBBSMQNSQPPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.851,264-756-5,64249-01-0,"S-[2-[(4-chlorophenyl)(isopropyl)amino]-2-oxoethyl] O,O-dimethyl dithiophosphate","S-{2-[(4-chlorophenyl)(isopropyl)amino]-2-oxoethyl} O,O-dimethyl dithiophosphate",COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1,COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1,"InChI=1/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3",C13H19ClNO3PS2,,,,,,NXQDBZGWYSEGFL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.853,264-758-6,64253-81-2,"2-[[1-amino-7-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-8-hydroxy-3,6-disulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid","2-{[1-amino-7-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)-8-hydroxy-3,6-disulfo-2-naphthyl]diazenyl}naphthalene-1,5-disulfonic acid",Clc6nc(Nc5ccc(c(N=Nc4c(cc3cc(c(N=Nc2ccc1c(cccc1c2S(O)(=O)=O)S(O)(=O)=O)c(N)c3c4O)S(O)(=O)=O)S(O)(=O)=O)c5)S(O)(=O)=O)nc(Cl)n6,Clc6nc(Nc5ccc(c(N=Nc4c(cc3cc(c(N=Nc2ccc1c(cccc1c2S(O)(=O)=O)S(O)(=O)=O)c(N)c3c4O)S(O)(=O)=O)S(O)(=O)=O)c5)S(O)(=O)=O)nc(Cl)n6,"InChI=1/C29H19Cl2N9O16S5/c30-27-34-28(31)36-29(35-27)33-12-4-7-18(58(45,46)47)16(10-12)38-40-24-20(60(51,52)53)9-11-8-19(59(48,49)50)23(22(32)21(11)25(24)41)39-37-15-6-5-13-14(26(15)61(54,55)56)2-1-3-17(13)57(42,43)44/h1-10,41H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,33,34,35,36)",C29H19Cl2N9O16S5,,,,,,CKQUBMVSCOEBSM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.855,264-760-7,64264-44-4,Heptadecafluoro-N-[2-(phosphonooxy)ethyl]-N-propyloctanesulphonamide,3-{[(heptadecafluorooctyl)sulfonyl]amino}pentyl dihydrogen phosphate,CCC(CCOP(=O)(O)O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCC(CCOP(=O)(O)O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H13F17NO6PS/c1-2-5(3-4-37-38(32,33)34)31-39(35,36)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h5,31H,2-4H2,1H3,(H2,32,33,34)",C13H13F17NO6PS,,,,,,OVGBXUQXXOWUAN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.864,264-770-1,64291-45-8,"Acetic acid, diethoxy-, 2-[4-[(3-amino-2,3,6-trideoxy-a-l-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ester, hydrochloride, (2S-cis)-","2-{4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl diethoxyacetate hydrochloride",Cl.CCOC(OCC)C(=O)OCC(=O)C1(O)CC(O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1,Cl.CCOC(OCC)C(=O)OCC(=O)C1(O)CC(O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1,"InChI=1/C33H39NO14.ClH/c1-5-44-32(45-6-2)31(41)46-13-20(35)33(42)11-16-23(19(12-33)48-21-10-17(34)26(36)14(3)47-21)30(40)25-24(28(16)38)27(37)15-8-7-9-18(43-4)22(15)29(25)39;/h7-9,14,17,19,21,26,32,36,38,40,42H,5-6,10-13,34H2,1-4H3;1H",C33H39NO14.ClH,,,,,,PJODMULXZJQLDJ-VPAAQIEXSA-N,,,,,,,,,,,
100.054.658,260-143-1,56388-43-3,Disodium C-[2-[2-[(1-oxooctadec-9-enyl)amino]ethoxy]ethyl] sulphonatosuccinate,disodium 4-{2-[2-(oleoylamino)ethoxy]ethoxy}-4-oxo-2-sulfonatobutanoate,CCCCCCCCC=CCCCCCCCC(=O)NCCOCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na],CCCCCCCCC=CCCCCCCCC(=O)NCCOCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-25(29)22-23(26(30)31)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/rC26H46NNaO9S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27-18-19-35-20-21-36-25(30)22-23(26(31)32)38(33,34)37-28;/h9-10,23H,2-8,11-22H2,1H3,(H,27,29)(H,31,32);/q;+1/p-1",C26H47NO9S.2Na,,,,,,XPRSVZMAQWNZLS-UHFFFAOYSA-L,,,,,,,,,,,
100.054.660,260-145-2,56390-09-1,"(8S-cis)-10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride","3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside hydrochloride",Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO,Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO,"InChI=1/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H",C27H29NO11.ClH,,,,,,MWWSFMDVAYGXBV-FGBSZODSSA-N,,,,,,,,,,,
100.054.661,260-146-8,56391-56-1,Netilmicin,"4-amino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-(ethylamino)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside",CCN[C@@H]1C[C@H](N)[C@@H](OC2OC(=CCC2N)CN)[C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O,CCN[C@@H]1C[C@H](N)[C@@H](OC2OC(=CCC2N)CN)[C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O,"InChI=1/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3",C21H41N5O7,,,,,,CIDUJQMULVCIBT-KALHTFJLSA-N,,,,,,,,,,,
100.054.664,260-149-4,56395-05-2,Isopropoxymethanol,isopropoxymethanol,CC(C)OCO,CC(C)OCO,"InChI=1/C4H10O2/c1-4(2)6-3-5/h4-5H,3H2,1-2H3",C4H10O2,,,,,,ZFCUTFMDALQSSY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.676,260-163-0,56414-56-3,"1-methyl-1,2-ethanediyl bis[12-hydroxy-9-octadecenoate]","propane-1,2-diyl bis(12-hydroxyoctadec-9-enoate)",CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC=CCC(O)CCCCCC,CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC=CCC(O)CCCCCC,"InChI=1/C39H72O6/c1-4-6-8-22-28-36(40)30-24-18-14-10-12-16-20-26-32-38(42)44-34-35(3)45-39(43)33-27-21-17-13-11-15-19-25-31-37(41)29-23-9-7-5-2/h18-19,24-25,35-37,40-41H,4-17,20-23,26-34H2,1-3H3",C39H72O6,,,,,,OMERZWZBMKPVFL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.677,260-164-6,56416-12-7,[(4-nitrophenyl)methyl]succinic acid,2-(4-nitrobenzyl)succinic acid,OC(=O)CC(Cc1ccc(cc1)[N+](=O)[O-])C(=O)O,OC(=O)CC(Cc1ccc(cc1)[N+](=O)[O-])C(=O)O,"InChI=1/C11H11NO6/c13-10(14)6-8(11(15)16)5-7-1-3-9(4-2-7)12(17)18/h1-4,8H,5-6H2,(H,13,14)(H,15,16)",C11H11NO6,,,,,,DYDFGNHHYHDJLU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.680,260-167-2,56418-72-5,4-[(3-chloro-2-methylphenyl)azo]-N-[4-[[[4-[[[4-[(3-chloro-2-methylphenyl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]phenyl]amino]carbonyl]phenyl]-3-hydroxynaphthalene-2-carboxamide,4-[(3-chloro-2-methylphenyl)diazenyl]-N-(4-{[4-({4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxy-2-naphthoyl}amino)benzoyl]amino}phenyl)-3-hydroxy-2-naphthamide,Cc8c(N=Nc6c7ccccc7cc(C(=O)Nc5ccc(NC(=O)c4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cccc(Cl)c2C)c3O)cc4)cc5)c6O)cccc8Cl,Cc8c(N=Nc6c7ccccc7cc(C(=O)Nc5ccc(NC(=O)c4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cccc(Cl)c2C)c3O)cc4)cc5)c6O)cccc8Cl,"InChI=1/C49H35Cl2N7O5/c1-27-39(50)13-7-15-41(27)55-57-43-35-11-5-3-9-30(35)25-37(45(43)59)48(62)53-32-19-17-29(18-20-32)47(61)52-33-21-23-34(24-22-33)54-49(63)38-26-31-10-4-6-12-36(31)44(46(38)60)58-56-42-16-8-14-40(51)28(42)2/h3-26,59-60H,1-2H3,(H,52,61)(H,53,62)(H,54,63)",C49H35Cl2N7O5,,,,,,JEHUFDCZTMGLEA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.961,238-474-8,14476-37-0,Undecan-4-one,undecan-4-one,CCCCCCCC(=O)CCC,CCCCCCCC(=O)CCC,"InChI=1/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h3-10H2,1-2H3",C11H22O,,,,,,NBSLHMOSERBUOV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.964,238-477-4,14481-55-1,1-methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl valerate,CCCCC(=O)OC(C)(C)C1CCC(=CC1)C,CCCCC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C15H26O2/c1-5-6-7-14(16)17-15(3,4)13-10-8-12(2)9-11-13/h8,13H,5-7,9-11H2,1-4H3",C15H26O2,,,,,,GIHNOWFSKYCHNL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.970,238-484-2,14484-64-1,Ferbam,iron(3+) tris(dimethyldithiocarbamate),[Fe+3].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-],[Fe+3].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-],"InChI=1/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3",C9H18FeN3S6,,,,,,WHDGWKAJBYRJJL-UHFFFAOYSA-K,,,,,,,,,,,
100.034.973,238-487-9,14486-03-4,N-L-methionylglycine,L-methionylglycine,CSCC[C@H](N)C(=O)NCC(=O)O,CSCC[C@H](N)C(=O)NCC(=O)O,"InChI=1/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)",C7H14N2O3S,,,,,,QXOHLNCNYLGICT-YFKPBYRVSA-N,,,,,,,,,,,
100.034.974,238-488-4,14486-05-6,L-alanyl-L-methionine,L-alanyl-L-methionine,CSCC[C@H](NC(=O)[C@H](C)N)C(=O)O,CSCC[C@H](NC(=O)[C@H](C)N)C(=O)O,"InChI=1/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)",C8H16N2O3S,,,,,,FSHURBQASBLAPO-WDSKDSINSA-N,,,,,,,,,,,
100.046.776,251-470-0,33369-27-6,"Ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate","ethyl 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylate",CCOC(=O)Cc1c(C(=O)OCC)c(C)c(C(=O)c2ccc(Cl)cc2)n1C,CCOC(=O)Cc1c(C(=O)OCC)c(C)c(C(=O)c2ccc(Cl)cc2)n1C,"InChI=1/C20H22ClNO5/c1-5-26-16(23)11-15-17(20(25)27-6-2)12(3)18(22(15)4)19(24)13-7-9-14(21)10-8-13/h7-10H,5-6,11H2,1-4H3",C20H22ClNO5,,,,,,NXCXUUSRXIDGRA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.778,251-472-1,33369-29-8,"Ethyl 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate","5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid",CCOC(=O)Cc1c(C(=O)O)c(C)c(C(=O)c2ccc(Cl)cc2)n1C,CCOC(=O)Cc1c(C(=O)O)c(C)c(C(=O)c2ccc(Cl)cc2)n1C,"InChI=1/C18H18ClNO5/c1-4-25-14(21)9-13-15(18(23)24)10(2)16(20(13)3)17(22)11-5-7-12(19)8-6-11/h5-8H,4,9H2,1-3H3,(H,23,24)",C18H18ClNO5,,,,,,XIUGDICADCHKIA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.779,251-473-7,33369-30-1,"Ethyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate","ethyl [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate",CCOC(=O)Cc1cc(C)c(C(=O)c2ccc(Cl)cc2)n1C,CCOC(=O)Cc1cc(C)c(C(=O)c2ccc(Cl)cc2)n1C,"InChI=1/C17H18ClNO3/c1-4-22-15(20)10-14-9-11(2)16(19(14)3)17(21)12-5-7-13(18)8-6-12/h5-9H,4,10H2,1-3H3",C17H18ClNO3,,,,,,AGKFMUXEONTGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.780,251-474-2,33369-31-2,Zomepirac,"[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid",Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2,Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2,"InChI=1/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)",C15H14ClNO3,,,,,,ZXVNMYWKKDOREA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.581,257-858-6,52337-72-1,2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate,CC(=O)OCCOCCOCCO,CC(=O)OCCOCCOCCO,"InChI=1/C8H16O5/c1-8(10)13-7-6-12-5-4-11-3-2-9/h9H,2-7H2,1H3",C8H16O5,,,,,,HZIJXNRGQFAGJR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.587,257-864-9,52345-47-8,2-[(4-methylphenyl)sulphonyl]acetamide,2-[(4-methylphenyl)sulfonyl]acetamide,Cc1ccc(cc1)S(=O)(=O)CC(=O)N,Cc1ccc(cc1)S(=O)(=O)CC(=O)N,"InChI=1/C9H11NO3S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)",C9H11NO3S,,,,,,ACGVKXZPAUDGMM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.589,257-867-5,52348-52-4,"3,5-diisobutylphenol","3,5-diisobutylphenol",CC(C)Cc1cc(O)cc(CC(C)C)c1,CC(C)Cc1cc(O)cc(CC(C)C)c1,"InChI=1/C14H22O/c1-10(2)5-12-7-13(6-11(3)4)9-14(15)8-12/h7-11,15H,5-6H2,1-4H3",C14H22O,,,,,,DLUMXTSYXVRNIP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.594,257-872-2,52363-40-3,Methyl 3-(1H-imidazol-4-yl)acrylate,methyl 3-(1H-imidazol-4-yl)acrylate,COC(=O)\\C=C\\c1c[nH]cn1,COC(=O)\C=C\c1c[nH]cn1,"InChI=1/C7H8N2O2/c1-11-7(10)3-2-6-4-8-5-9-6/h2-5H,1H3,(H,8,9)",C7H8N2O2,,,,,,ZXKOENSQFURTSZ-NSCUHMNNSA-N,,,,,,,,,,,
100.052.599,257-878-5,52364-73-5,"4'-(octyloxy)[1,1'-biphenyl]-4-carbonitrile",4'-(octyloxy)biphenyl-4-carbonitrile,CCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3",C21H25NO,,,,,,GPGGNNIMKOVSAG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.603,257-882-7,52370-94-2,Ethyl 1-methyl-3-phenylpiperidine-3-carboxylate,ethyl 1-methyl-3-phenylpiperidine-3-carboxylate,CCOC(=O)C1(CCCN(C)C1)c2ccccc2,CCOC(=O)C1(CCCN(C)C1)c2ccccc2,"InChI=1/C15H21NO2/c1-3-18-14(17)15(10-7-11-16(2)12-15)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3",C15H21NO2,,,,,,KYWYUHIJUSFICD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.606,257-885-3,52372-39-1,"3-(diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile","3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile",CCN(CC)c1ccc2C=C3C(=C(C#N)C(=N)n4c3nc5ccccc45)Oc2c1,CCN(CC)c1ccc2C=C3C(=C(C#N)C(=N)n4c3nc5ccccc45)Oc2c1,"InChI=1/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3",C23H19N5O,,,,,,FXFIDVQMNRVEGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.612,257-892-1,52391-89-6,"7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one","7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",CN1C(=O)C(O)N=C(c2ccccc2F)c3cc(Cl)ccc13,CN1C(=O)C(O)N=C(c2ccccc2F)c3cc(Cl)ccc13,"InChI=1/C16H12ClFN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3",C16H12ClFN2O2,,,,,,RMFYWNFETXNTIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.614,257-894-2,52398-83-1,2-[(4-methoxy-3-nitrophenyl)sulphonyl]ethanol,2-[(4-methoxy-3-nitrophenyl)sulfonyl]ethanol,COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)CCO,COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)CCO,"InChI=1/C9H11NO6S/c1-16-9-3-2-7(6-8(9)10(12)13)17(14,15)5-4-11/h2-3,6,11H,4-5H2,1H3",C9H11NO6S,,,,,,XIPJCKZGPTYNFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.615,257-895-8,52405-73-9,"2,5-dihydroxybenzamide","2,5-dihydroxybenzamide",NC(=O)c1cc(O)ccc1O,NC(=O)c1cc(O)ccc1O,"InChI=1/C7H7NO3/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3,9-10H,(H2,8,11)",C7H7NO3,,,,,,FRXZIFVYTNMCHF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.616,257-896-3,52406-22-1,Dodecyl acetoacetate,dodecyl 3-oxobutanoate,CCCCCCCCCCCCOC(=O)CC(=O)C,CCCCCCCCCCCCOC(=O)CC(=O)C,"InChI=1/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-19-16(18)14-15(2)17/h3-14H2,1-2H3",C16H30O3,,,,,,KCHWKBCUPLJWJA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.907,238-415-6,14439-71-5,N-(2-benzoylphenyl)-2-bromoacetamide,N-(2-benzoylphenyl)-2-bromoacetamide,BrCC(=O)Nc1ccccc1C(=O)c2ccccc2,BrCC(=O)Nc1ccccc1C(=O)c2ccccc2,"InChI=1/C15H12BrNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)",C15H12BrNO2,,,,,,HZQDHBGMMKYQDP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.916,238-425-0,14447-16-6,1-methylpropyl cyanoacetate,sec-butyl cyanoacetate,CCC(C)OC(=O)CC#N,CCC(C)OC(=O)CC#N,"InChI=1/C7H11NO2/c1-3-6(2)10-7(9)4-5-8/h6H,3-4H2,1-2H3",C7H11NO2,,,,,,IIVQCYBAMCISPI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.918,238-427-1,14448-64-7,"Ethyl hydrogen sulphate, magnesium salt",-,[Mg+2].CCOS(=O)(=O)O,[Mg+2].CCOS(=O)(=O)O,"InChI=1/C2H6O4S.Mg/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2",C2H6O4S.1/2Mg,,,,,,GMXWWLOJPLLVIX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.922,238-431-3,14450-07-8,Dioleyl hydrogen phosphate,dioctadec-9-en-1-yl hydrogen phosphate,CCCCCCCC\\C=C/CCCCCCCCOP(=O)(O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCOP(=O)(O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C36H71O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,37,38)",C36H71O4P,,,,,,WFFZELZOEWLYNK-CLFAGFIQSA-N,,,,,,,,,,,
100.034.927,238-437-6,14452-39-2,Aluminium perchlorate,aluminum triperchlorate,[Al+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Al+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/Al.3ClHO4/c;3*2-1(3,4)5/h;3*(H,2,3,4,5)/q+3;;;/p-3",Al.3ClHO4,,,,,,ZRGUXTGDSGGHLR-UHFFFAOYSA-K,,,,,,,,,,,
100.034.933,238-443-9,14456-48-5,Dysprosium tribromide,dysprosium tribromide,[Br-].[Br-].[Br-].[Dy+3],[Br-].[Br-].[Br-].[Dy+3],InChI=1/3BrH.Dy/h3*1H;/q;;;+3/p-3,Br3Dy,,,,,,GBLDKMKYYYAAKD-UHFFFAOYSA-K,,,,,,,,,,,
100.034.938,238-449-1,14458-76-5,(1H)-benzo[b]fluorene,1H-benzo[b]fluorene,C1C=CC=C2C1=Cc3cc4ccccc4cc23,C1C=CC=C2C1=Cc3cc4ccccc4cc23,"InChI=1/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-6,8-11H,7H2",C17H12,,,,,,RZKOXMMPOZMIOS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.942,238-453-3,14464-10-9,Benzyl 3-hydroxypropionate,benzyl 3-hydroxypropanoate,OCCC(=O)OCc1ccccc1,OCCC(=O)OCc1ccccc1,"InChI=1/C10H12O3/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2",C10H12O3,,,,,,RDRDBYYUPACJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.423,241-181-8,17116-13-1,Disodium hexafluorotitanate,disodium hexafluorotitanate(2-),[Na+].[Na+].F[Ti-2](F)(F)(F)(F)F,[Na+].[Na+].F[Ti-2](F)(F)(F)(F)F,"InChI=1/6FH.2Na.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rF6Ti.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Ti.2Na,,,,,,HLJCWGPUCQTHFY-UHFFFAOYSA-H,,,,,,,,,,,
100.037.426,241-184-4,17121-34-5,"1,1',1'',1'''-[[(2-hydroxypropyl)imino]bis(ethylenenitrilo)]tetrapropan-2-ol","1,1',1'',1''',1''''-(ethane-1,2-diylnitrilo)pentapropan-2-ol",CC(O)CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O,CC(O)CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O,"InChI=1/C19H43N3O5/c1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27/h15-19,23-27H,6-14H2,1-5H3",C19H43N3O5,,,,,,LWMWZNOCSCPBCH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.427,241-186-5,17122-56-4,N-(4-chlorophenyl)-2-(hydroxyimino)acetamide,N-(4-chlorophenyl)-2-(hydroxyimino)acetamide,Clc1ccc(NC(=O)C=NO)cc1,Clc1ccc(NC(=O)C=NO)cc1,"InChI=1/C8H7ClN2O2/c9-6-1-3-7(4-2-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)",C8H7ClN2O2,,,,,,HPTQNIZSFRLFIU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.429,241-188-6,17124-83-3,2-[2-(diethylamino)ethyl]isothiourea,2-(diethylamino)ethyl imidothiocarbamate,CCN(CC)CCSC(=N)N,CCN(CC)CCSC(=N)N,"InChI=1/C7H17N3S/c1-3-10(4-2)5-6-11-7(8)9/h3-6H2,1-2H3,(H3,8,9)",C7H17N3S,,,,,,KIPQFURXJLXUFT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.434,241-193-3,17135-49-8,4'-fluoro-4-(4-fluorophenyl)butyrophenone,"1,4-bis(4-fluorophenyl)butan-1-one",Fc1ccc(CCCC(=O)c2ccc(F)cc2)cc1,Fc1ccc(CCCC(=O)c2ccc(F)cc2)cc1,"InChI=1/C16H14F2O/c17-14-8-4-12(5-9-14)2-1-3-16(19)13-6-10-15(18)11-7-13/h4-11H,1-3H2",C16H14F2O,,,,,,MWVYAXLUWZOOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.435,241-194-9,17136-36-6,N-(phenylmethyl)glycine,N-benzylglycine,OC(=O)CNCc1ccccc1,OC(=O)CNCc1ccccc1,"InChI=1/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)",C9H11NO2,,,,,,KGSVNOLLROCJQM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.437,241-197-5,17138-28-2,Ethyl 4-hydroxyphenylacetate,ethyl (4-hydroxyphenyl)acetate,CCOC(=O)Cc1ccc(O)cc1,CCOC(=O)Cc1ccc(O)cc1,"InChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",C10H12O3,,,,,,HYUPPKVFCGIMDB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.443,241-204-1,17140-68-0,Etamiphyllin hydrochloride,"7-[2-(diethylamino)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CCN(CC)CCn1cnc2N(C)C(=O)N(C)C(=O)c12,Cl.CCN(CC)CCn1cnc2N(C)C(=O)N(C)C(=O)c12,"InChI=1/C13H21N5O2.ClH/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;/h9H,5-8H2,1-4H3;1H",C13H21N5O2.ClH,,,,,,WZNIVRAEOQQUIB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.462,267-629-2,67905-09-3,"2,2-dimethylpentyl methacrylate","2,2-dimethylpentyl methacrylate",CCCC(C)(C)COC(=O)C(=C)C,CCCC(C)(C)COC(=O)C(=C)C,"InChI=1/C11H20O2/c1-6-7-11(4,5)8-13-10(12)9(2)3/h2,6-8H2,1,3-5H3",C11H20O2,,,,,,YFDAAPDBSTZCJE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.463,267-630-8,67905-11-7,"1-amino-5,8-dihydroxy-4-[(2-hydroxyethyl)amino]anthraquinone","1-amino-5,8-dihydroxy-4-[(2-hydroxyethyl)amino]-9,10-anthraquinone",Nc1ccc(NCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,Nc1ccc(NCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,"InChI=1/C16H14N2O5/c17-7-1-2-8(18-5-6-19)12-11(7)15(22)13-9(20)3-4-10(21)14(13)16(12)23/h1-4,18-21H,5-6,17H2",C16H14N2O5,,,,,,FKAQSUQGHZYXTL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.468,267-636-0,67905-17-3,"N-[4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl]acetamide","N-{4-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]phenyl}acetamide",CC(=O)Nc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,CC(=O)Nc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C22H16N2O4/c1-12(25)23-13-6-8-14(9-7-13)24-17-10-11-18(26)20-19(17)21(27)15-4-2-3-5-16(15)22(20)28/h2-11,24,26H,1H3,(H,23,25)",C22H16N2O4,,,,,,DAPGHBPTUCXSRG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.483,267-652-8,67905-33-3,3-[[3-[(dihydroxyboryl)oxy]propyl]amino]propan-1-ol,3-[(3-hydroxypropyl)amino]propyl dihydrogen borate,OCCCNCCCOB(O)O,OCCCNCCCOB(O)O,"InChI=1/C6H16BNO4/c9-5-1-3-8-4-2-6-12-7(10)11/h8-11H,1-6H2",C6H16BNO4,,,,,,MHESBQZGKGCYJF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.484,267-653-3,67905-34-4,"3,4,5,6-tetrachloro-N-cyclododecylphthalimide","4,5,6,7-tetrachloro-2-cyclododecyl-1H-isoindole-1,3(2H)-dione",Clc1c(Cl)c(Cl)c2C(=O)N(C3CCCCCCCCCCC3)C(=O)c2c1Cl,Clc1c(Cl)c(Cl)c2C(=O)N(C3CCCCCCCCCCC3)C(=O)c2c1Cl,"InChI=1/C20H23Cl4NO2/c21-15-13-14(16(22)18(24)17(15)23)20(27)25(19(13)26)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2",C20H23Cl4NO2,,,,,,KWXOAJZZMNBESJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.485,267-654-9,67905-35-5,"3,4,5,6-tetrachloro-N-octylphthalimide","2-(3,4,5,6-tetrachlorooctyl)-1H-isoindole-1,3(2H)-dione",CCC(Cl)C(Cl)C(Cl)C(Cl)CCN1C(=O)c2ccccc2C1=O,CCC(Cl)C(Cl)C(Cl)C(Cl)CCN1C(=O)c2ccccc2C1=O,"InChI=1/C16H17Cl4NO2/c1-2-11(17)13(19)14(20)12(18)7-8-21-15(22)9-5-3-4-6-10(9)16(21)23/h3-6,11-14H,2,7-8H2,1H3",C16H17Cl4NO2,,,,,,FZOBZKFJSAUUDT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.498,267-669-0,67905-48-0,"2-hydroxy-1,6-hexanediyl diacrylate","2-hydroxyhexane-1,6-diyl bisacrylate",OC(CCCCOC(=O)C=C)COC(=O)C=C,OC(CCCCOC(=O)C=C)COC(=O)C=C,"InChI=1/C12H18O5/c1-3-11(14)16-8-6-5-7-10(13)9-17-12(15)4-2/h3-4,10,13H,1-2,5-9H2",C12H18O5,,,,,,MFFPEGFXNIFWDL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.445,263-209-8,61791-94-4,Ethyl 2-cyano-3-methylhept-4-ynoate,ethyl 2-cyano-3-methylhept-4-ynoate,CCOC(=O)C(C#N)C(C)C#CCC,CCOC(=O)C(C#N)C(C)C#CCC,"InChI=1/C11H15NO2/c1-4-6-7-9(3)10(8-12)11(13)14-5-2/h9-10H,4-5H2,1-3H3",C11H15NO2,,,,,,XIYQGENNNXSWPM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.453,263-218-7,61792-31-2,N-[3-(dimethylamino)propyl]dodecanamide N-oxide,"3-[dodecanoyl(oxido)amino]-N,N-dimethylpropan-1-amine",CCCCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C,CCCCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C,"InChI=1/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)19(21)16-13-15-18(2)3/h19H,4-16H2,1-3H3",C17H36N2O2,,,,,,RFHSGBFHVGQXHD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.455,263-220-8,61792-37-8,"3,6,10-trimethylundec-9-en-2-one","3,6,10-trimethylundec-9-en-2-one",CC(CCC=C(C)C)CCC(C)C(=O)C,CC(CCC=C(C)C)CCC(C)C(=O)C,"InChI=1/C14H26O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,12-13H,6,8-10H2,1-5H3",C14H26O,,,,,,WDQFBJRBQPVFJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.456,263-221-3,61792-39-0,Ammonium 3-octyloxiran-2-octanoate,ammonium 8-(3-octyloxiran-2-yl)octanoate,[NH4+].CCCCCCCCC1OC1CCCCCCCC(=O)[O-],[NH4+].CCCCCCCCC1OC1CCCCCCCC(=O)[O-],"InChI=1/C18H34O3.H3N/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20;/h16-17H,2-15H2,1H3,(H,19,20);1H3",C18H34O3.H3N,,,,,,QEJJTNVKOQFTEP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.930,262-643-5,61183-76-4,"2,2'-[[2-ethyl-2-[[2-(heptylmethylamino)-2-oxoethoxy]methyl]-1,3-propanediyl]bis(oxy)]bis(N-heptyl-N-methylacetamide)","2-[2,2-bis({2-[heptyl(methyl)amino]-2-oxoethoxy}methyl)butoxy]-N-heptyl-N-methylacetamide (non-preferred name)",CCCCCCCN(C)C(=O)COCC(CC)(COCC(=O)N(C)CCCCCCC)COCC(=O)N(C)CCCCCCC,CCCCCCCN(C)C(=O)COCC(CC)(COCC(=O)N(C)CCCCCCC)COCC(=O)N(C)CCCCCCC,"InChI=1/C36H71N3O6/c1-8-12-15-18-21-24-37(5)33(40)27-43-30-36(11-4,31-44-28-34(41)38(6)25-22-19-16-13-9-2)32-45-29-35(42)39(7)26-23-20-17-14-10-3/h8-32H2,1-7H3",C36H71N3O6,,,,,,PMECOBBGCPFYPP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.934,262-647-7,61189-99-9,"2,2-diethoxyacetamide","2,2-diethoxyacetamide",CCOC(OCC)C(=O)N,CCOC(OCC)C(=O)N,"InChI=1/C6H13NO3/c1-3-9-6(5(7)8)10-4-2/h6H,3-4H2,1-2H3,(H2,7,8)",C6H13NO3,,,,,,DSKGWFQMJHBHRT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.937,262-650-3,61197-09-9,2-methyl-3-(propyldithio)furan,2-methyl-3-(propyldisulfanyl)furan,CCCSSc1ccoc1C,CCCSSc1ccoc1C,"InChI=1/C8H12OS2/c1-3-6-10-11-8-4-5-9-7(8)2/h4-5H,3,6H2,1-2H3",C8H12OS2,,,,,,YFPPCUTVJGGSQC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.938,262-651-9,61202-97-9,"Ethyl 3-methyl-2,4-dioxohexanoate","ethyl 3-methyl-2,4-dioxohexanoate",CCOC(=O)C(=O)C(C)C(=O)CC,CCOC(=O)C(=O)C(C)C(=O)CC,"InChI=1/C9H14O4/c1-4-7(10)6(3)8(11)9(12)13-5-2/h6H,4-5H2,1-3H3",C9H14O4,,,,,,UUDJREZGIPQANP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.976,238-491-0,14486-20-5,Antimony(3+) tetrafluoroborate(1-),antimony(3+) tritetrafluoroborate,[SbH3+3].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F,[SbH3+3].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/3BF4.Sb.3H/c3*2-1(3,4)5;;;;/q3*-1;+3;;;/r3BF4.H3Sb/c3*2-1(3,4)5;/h;;;1H3/q3*-1;+3",BF4.1/3Sb,,,,,,VSIHDZDUBOUALJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.977,238-492-6,14486-58-9,"9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid","9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonic acid",OS(=O)(=O)c1ccc2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c2c1,OS(=O)(=O)c1ccc2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c2c1,"InChI=1/C14H8O8S2/c15-13-9-2-1-3-11(24(20,21)22)12(9)14(16)8-5-4-7(6-10(8)13)23(17,18)19/h1-6H,(H,17,18,19)(H,20,21,22)",C14H8O8S2,,,,,,SROYVYGZVXMVOA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.979,238-494-7,14487-45-7,5-methyl DL-glutamate,2-amino-5-methoxy-5-oxopentanoate,COC(=O)CC[C@H](N)C(=O)[O-],COC(=O)CC[C@H](N)C(=O)[O-],"InChI=1/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/p-1",C6H11NO4,,,,,,ZGEYCCHDTIDZAE-BYPYZUCNSA-M,,,,,,,,,,,
100.034.986,238-501-3,14492-68-3,1-[2-oxo-2-[[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]pyridinium chloride,1-(2-oxo-2-{[2-(stearoyloxy)ethyl]amino}ethyl)pyridinium chloride,[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1,"InChI=1/C27H46N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27(31)32-24-21-28-26(30)25-29-22-18-16-19-23-29;/h16,18-19,22-23H,2-15,17,20-21,24-25H2,1H3;1H",C27H47N2O3.Cl,,,,,,LNEXUGPWTFNCSO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.994,238-510-2,14507-19-8,Lanthanum trihydroxide,lanthanum trihydroxide,[OH-].[OH-].[OH-].[La+3],[OH-].[OH-].[OH-].[La+3],InChI=1/La.3H2O/h;3*1H2/q+3;;;/p-3,H3LaO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13184,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.994,YXEUGTSPQFTXTR-UHFFFAOYSA-K,,,,,,,,,,,
100.037.478,241-242-9,17200-00-9,"Oleic acid, compound with diethylamine (1:1)",octadec-9-enoic acid - N-ethylethanamine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCNCC,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCNCC,"InChI=1/C18H34O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-4-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);5H,3-4H2,1-2H3",C18H34O2.C4H11N,,,,,,HOKMYEORIPLLGI-KVVVOXFISA-N,,,,,,,,,,,
100.037.483,241-248-1,17205-68-4,"2,2'-(azodi-p-phenylene)bis(6-methylbenzothiazole)","2,2'-(diazene-1,2-diyldi-4,1-phenylene)bis(6-methyl-1,3-benzothiazole)",Cc1ccc2nc(sc2c1)c3ccc(cc3)N=Nc4ccc(cc4)c5nc6ccc(C)cc6s5,Cc1ccc2nc(sc2c1)c3ccc(cc3)N=Nc4ccc(cc4)c5nc6ccc(C)cc6s5,"InChI=1/C28H20N4S2/c1-17-3-13-23-25(15-17)33-27(29-23)19-5-9-21(10-6-19)31-32-22-11-7-20(8-12-22)28-30-24-14-4-18(2)16-26(24)34-28/h3-16H,1-2H3",C28H20N4S2,,,,,,OIWUWXCWLGMXKH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.490,241-256-5,17213-57-9,"3,5-dimethoxybenzoyl chloride","3,5-dimethoxybenzoyl chloride",COc1cc(OC)cc(c1)C(=O)Cl,COc1cc(OC)cc(c1)C(=O)Cl,"InChI=1/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3",C9H9ClO3,,,,,,FTHPLWDYWAKYCY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.493,241-259-1,17216-08-9,"2-acetyl-1,2,3,4-tetrahydronaphthalen-1-one","2-acetyl-3,4-dihydronaphthalen-1(2H)-one",CC(=O)C1CCc2ccccc2C1=O,CC(=O)C1CCc2ccccc2C1=O,"InChI=1/C12H12O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-5,10H,6-7H2,1H3",C12H12O2,,,,,,BSELJBOMYPMBNL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.500,233-564-3,10235-63-9,1-methyl-4-(1-methylethylidene)cyclohexyl acetate,4-isopropylidene-1-methylcyclohexyl acetate,CC(=C1CCC(C)(CC1)OC(=O)C)C,CC(=C1CCC(C)(CC1)OC(=O)C)C,"InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3",C12H20O2,,,,,,ZKKBZSOYCMSYRW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.504,233-569-0,10237-70-4,"Maleic acid, potassium salt",potassium 3-carboxyacrylate,[K+].OC(=O)\\C=C/C(=O)[O-],[K+].OC(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.K/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1",C4H4O4.xK,,,,,,QPMDWIOUHQWKHV-ODZAUARKSA-M,,,,,,,,,,,
100.030.508,233-573-2,10240-08-1,4-methyl-1-naphthol,4-methyl-1-naphthol,Cc1ccc(O)c2ccccc12,Cc1ccc(O)c2ccccc12,"InChI=1/C11H10O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7,12H,1H3",C11H10O,,,,,,ZSUDUDXOEGHEJR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.509,233-574-8,10241-04-0,Cobalt trichloride,-,[Cl-].[Cl-].[Cl-].[Co+2],[Cl-].[Cl-].[Cl-].[Co+2],InChI=1/3ClH.Co/h3*1H;/q;;;+2/p-3,Cl3Co,,,,,,TYXUINHTFVLDLW-UHFFFAOYSA-K,,,,,,,,,,,
100.030.514,233-580-0,10242-36-1,Pyridine-2-methanol 1-oxide,(1-oxidopyridin-2-yl)methanol,OCc1cccc[n+]1[O-],OCc1cccc[n+]1[O-],"InChI=1/C6H7NO2/c8-5-6-3-1-2-4-7(6)9/h1-4,8H,5H2",C6H7NO2,,,,,,FNHPXOZSWXLMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.516,233-582-1,10246-75-0,Hydroxyzine embonate,"4,4'-methylenebis(3-hydroxy-2-naphthoic acid) - 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol (1:1)",OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O,OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O,"InChI=1/C23H16O6.C21H27ClN2O2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-9,21,25H,10-17H2",C23H16O6.C21H27ClN2O2,,,,,,ASDOKGIIKXGMNB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.617,257-897-9,52406-71-0,Titanium(4+) 2-(dimethylamino)ethanolate,titanium(4+) tetrakis[2-(dimethylamino)ethanolate],[Ti+4].CN(C)CC[O-].CN(C)CC[O-].CN(C)CC[O-].CN(C)CC[O-],[Ti+4].CN(C)CC[O-].CN(C)CC[O-].CN(C)CC[O-].CN(C)CC[O-],"InChI=1/4C4H10NO.Ti/c4*1-5(2)3-4-6;/h4*3-4H2,1-2H3;/q4*-1;+4",C4H11NO.1/4Ti,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17564,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.617,UKCVPXAADQFTRL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.619,257-900-3,52408-42-1,"1,4-butanediylbis[oxy(2-hydroxy-3,1-propanediyl)] diacrylate","butane-1,4-diylbis(oxy-2-hydroxypropane-3,1-diyl) bisacrylate",OC(COCCCCOCC(O)COC(=O)C=C)COC(=O)C=C,OC(COCCCCOCC(O)COC(=O)C=C)COC(=O)C=C,"InChI=1/C16H26O8/c1-3-15(19)23-11-13(17)9-21-7-5-6-8-22-10-14(18)12-24-16(20)4-2/h3-4,13-14,17-18H,1-2,5-12H2",C16H26O8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5302,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.619,QIPOUSKNIMYTRA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.624,257-906-6,52423-56-0,4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide monohydrochloride,4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,Cl.CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,"InChI=1/C14H22BrN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H",C14H22BrN3O2.ClH,,,,,,SGQFXUUDHWNAIN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.697,267-887-6,67952-34-5,Tris(2-hydroxypropyl)ammonium citrate,"tris[2-hydroxy-N,N-bis(2-hydroxypropyl)propan-1-aminium] citrate",CC(O)C[NH+](CC(C)O)CC(C)O.CC(O)C[NH+](CC(C)O)CC(C)O.CC(O)C[NH+](CC(C)O)CC(C)O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC(O)C[NH+](CC(C)O)CC(C)O.CC(O)C[NH+](CC(C)O)CC(C)O.CC(O)C[NH+](CC(C)O)CC(C)O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/3C9H21NO3.C6H8O7/c3*1-7(11)4-10(5-8(2)12)6-9(3)13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*7-9,11-13H,4-6H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C9H21NO3.xC6H8O7,,,,,,DSLBZXJULYBINR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.703,267-893-9,67952-40-3,"(2-hydroxy-1,1-dimethylethyl)ammonium nitrate",1-hydroxy-2-methylpropan-2-aminium nitrate,CC(C)([NH3+])CO.[O-][N+](=O)[O-],CC(C)([NH3+])CO.[O-][N+](=O)[O-],"InChI=1/C4H11NO.NO3/c1-4(2,5)3-6;2-1(3)4/h6H,3,5H2,1-2H3;/q;-1/p+1",C4H11NO.HNO3,,,,,,LQWUHYPSUWMPFV-UHFFFAOYSA-O,,,,,,,,,,,
100.061.713,267-904-7,67952-51-6,"1,3,5-triallyl trihydrogen benzenehexacarboxylate","2,4,6-tris[(allyloxy)carbonyl]benzene-1,3,5-tricarboxylic acid",OC(=O)c1c(C(=O)OCC=C)c(C(=O)O)c(C(=O)OCC=C)c(C(=O)O)c1C(=O)OCC=C,OC(=O)c1c(C(=O)OCC=C)c(C(=O)O)c(C(=O)OCC=C)c(C(=O)O)c1C(=O)OCC=C,"InChI=1/C21H18O12/c1-4-7-31-19(28)13-10(16(22)23)14(20(29)32-8-5-2)12(18(26)27)15(11(13)17(24)25)21(30)33-9-6-3/h4-6H,1-3,7-9H2,(H,22,23)(H,24,25)(H,26,27)",C21H18O12,,,,,,GOTWQVHNTVYUFR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.717,267-908-9,67952-55-0,6-[1-(1-methylethyl)allyl]cyclohex-2-ene-1-carbaldehyde,6-(1-isopropylprop-2-en-1-yl)cyclohex-2-ene-1-carbaldehyde,CC(C)C(C=C)C1CCC=CC1C=O,CC(C)C(C=C)C1CCC=CC1C=O,"InChI=1/C13H20O/c1-4-12(10(2)3)13-8-6-5-7-11(13)9-14/h4-5,7,9-13H,1,6,8H2,2-3H3",C13H20O,,,,,,LIWODPOWBUCDSS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.726,267-918-3,67952-65-2,Methyl(methylthio)pyrazine,2-methyl-3-(methylsulfanyl)pyrazine,CSc1nccnc1C,CSc1nccnc1C,"InChI=1/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3",C6H8N2S,,,,,,PPPFFGVGWFKTHX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.732,267-925-1,67952-76-5,"2-ethyl-1-propyl-1,3-propanediyl bismethacrylate",2-ethyl-3-(methacryloyloxy)hexyl methacrylate,CCCC(OC(=O)C(=C)C)C(CC)COC(=O)C(=C)C,CCCC(OC(=O)C(=C)C)C(CC)COC(=O)C(=C)C,"InChI=1/C16H26O4/c1-7-9-14(20-16(18)12(5)6)13(8-2)10-19-15(17)11(3)4/h13-14H,3,5,7-10H2,1-2,4,6H3",C16H26O4,,,,,,XCEMCGLOIBZVIY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.836,262-540-5,60958-45-4,"Disodium 3-[[2-(acetylamino)-4-aminophenyl]azo]naphthalene-1,5-disulphonate","disodium 3-[(2-acetamido-4-aminophenyl)diazenyl]naphthalene-1,5-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cccc2c3cc(N=Nc1ccc(N)cc1NC(C)=O)cc2S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3cccc2c3cc(N=Nc1ccc(N)cc1NC(C)=O)cc2S([O-])(=O)=O,"InChI=1/C18H16N4O7S2.2Na/c1-10(23)20-16-7-11(19)5-6-15(16)22-21-12-8-14-13(18(9-12)31(27,28)29)3-2-4-17(14)30(24,25)26;;/h2-9H,19H2,1H3,(H,20,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C18H16N4O7S2.2Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10854,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.836,OLHWVFPCEKQFCE-UHFFFAOYSA-L,,,,,,,,,,,
100.056.839,262-543-1,60966-36-1,21-hydroxy-20-methylpregn-4-en-3-one,"17-(2-hydroxy-1-methylethyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CC(CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20,23H,4-11,13H2,1-3H3",C22H34O2,,,,,,ZNWOYQVXPIEQRC-ZRFCQXGJSA-N,,,,,,,,,,,
100.056.850,262-555-7,61002-53-7,"(2,6-dichlorophenyl) (4-hydroxyphenyl) ketone","(2,6-dichlorophenyl)(4-hydroxyphenyl)methanone",Oc1ccc(cc1)C(=O)c2c(Cl)cccc2Cl,Oc1ccc(cc1)C(=O)c2c(Cl)cccc2Cl,"InChI=1/C13H8Cl2O2/c14-10-2-1-3-11(15)12(10)13(17)8-4-6-9(16)7-5-8/h1-7,16H",C13H8Cl2O2,,,,,,MLWKCPQXHJATBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.852,262-557-8,61009-11-8,Diammonium methylenebisnaphthalenesulphonate,"diammonium 2,2'-methylenedinaphthalene-1-sulfonate",[NH4+].[NH4+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14,[NH4+].[NH4+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14,"InChI=1/C21H16O6S2.2H3N/c22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27;;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);2*1H3",C21H16O6S2.2H3N,,,,,,IYAZIAWDRDGKKX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.445,241-206-2,17140-94-2,Magnesium bis(5-ethyl-5-phenylbarbiturate),"magnesium bis(5-ethyl-4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-olate)",[Mg+2].CCC1(C(=O)NC(=NC1=O)[O-])c2ccccc2.CCC3(C(=O)NC(=NC3=O)[O-])c4ccccc4,[Mg+2].CCC1(C(=O)NC(=NC1=O)[O-])c2ccccc2.CCC3(C(=O)NC(=NC3=O)[O-])c4ccccc4,"InChI=1/2C12H12N2O3.Mg/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2",C12H12N2O3.1/2Mg,,,,,,LJVBIGYQTUCCSB-UHFFFAOYSA-L,,,,,,,,,,,
100.037.450,241-212-5,17155-65-6,"2-(sec-butyl)-1,3-dioxolane","2-sec-butyl-1,3-dioxolane",CCC(C)C1OCCO1,CCC(C)C1OCCO1,"InChI=1/C7H14O2/c1-3-6(2)7-8-4-5-9-7/h6-7H,3-5H2,1-2H3",C8H16O2,,,,,,FRBNVSJPLIGZIP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.455,241-217-2,17162-20-8,1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole sulphate,1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole sulfate,OS(=O)(=O)O.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,OS(=O)(=O)O.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,"InChI=1/C19H20ClN3.H2O4S/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;1-5(2,3)4/h1-2,5-10H,3-4,11-14H2;(H2,1,2,3,4)",C19H20ClN3.H2O4S,,,,,,RZENSCAUEVAXIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.463,241-226-1,17176-77-1,Dibenzyl phosphonate,dibenzyl phosphonate,O=P(OCc1ccccc1)OCc2ccccc2,O=P(OCc1ccccc1)OCc2ccccc2,"InChI=1/C14H15O3P/c15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,18H,11-12H2",C14H15O3P,,,,,,MIBXHGZAARWAGI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.468,241-231-9,17192-79-9,"4-(benzoylamino)-2,5-dibutoxybenzenediazonium tetrachlorozincate (2:1)","bis[4-(benzoylamino)-2,5-dibutoxybenzenediazonium] tetrachlorozincate(2-)",CCCCOc1cc([N+]#N)c(OCCCC)cc1NC(=O)c2ccccc2.CCCCOc3cc([N+]#N)c(OCCCC)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,CCCCOc1cc([N+]#N)c(OCCCC)cc1NC(=O)c2ccccc2.CCCCOc3cc([N+]#N)c(OCCCC)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C21H25N3O3.4ClH.Zn/c2*1-3-5-12-26-19-15-18(24-22)20(27-13-6-4-2)14-17(19)23-21(25)16-10-8-7-9-11-16;;;;;/h2*7-11,14-15H,3-6,12-13H2,1-2H3;4*1H;/q;;;;;;+2/p-2/r2C21H25N3O3.Cl4Zn/c2*1-3-5-12-26-19-15-18(24-22)20(27-13-6-4-2)14-17(19)23-21(25)16-10-8-7-9-11-16;1-5(2,3)4/h2*7-11,14-15H,3-6,12-13H2,1-2H3;/q;;-2/p+2",C21H26N3O3.1/2Cl4Zn,,,,,,ZKTABFUJOFNEEB-UHFFFAOYSA-L,,,,,,,,,,,
100.037.293,241-039-5,16965-08-5,"tert-butyl 2,4,5-trichlorophenyl carbonate","tert-butyl 2,4,5-trichlorophenyl carbonate",CC(C)(C)OC(=O)Oc1cc(Cl)c(Cl)cc1Cl,CC(C)(C)OC(=O)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C11H11Cl3O3/c1-11(2,3)17-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3",C11H11Cl3O3,,,,,,LJFPGBIHDPZHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.300,241-046-3,16970-54-0,Trihydrogen hexachlororhodate,trihydrogen hexachlororhodate,Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl,Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/18ClH.3Rh/h18*1H;;;/q;;;;;;;;;;;;;;;;;;3*+6/p-18/r3Cl6Rh/c3*1-7(2,3,4,5)6",Cl6Rh.3H,,,,,,VCMWNPULSZJGSY-UHFFFAOYSA-A,,,,,,,,,,,
100.037.311,241-058-9,16979-51-4,Sodium 9-octadecenyl sulphate,sodium octadec-9-en-1-yl sulfate,[Na+].[O-]S(=O)(=O)OCCCCCCCCC=CCCCCCCCC,[Na+].[O-]S(=O)(=O)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1",C18H36O4S.Na,,,,,,MWZFQMUXPSUDJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.037.314,241-062-0,16982-46-0,"2-ethyl-4,5-dihydrothiazole","2-ethyl-4,5-dihydro-1,3-thiazole",CCC1=NCCS1,CCC1=NCCS1,"InChI=1/C5H9NS/c1-2-5-6-3-4-7-5/h2-4H2,1H3",C5H9NS,,,,,,VBLYWGDAYORRDM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.318,241-066-2,16986-83-7,Cadmium propionate,cadmium dipropanoate,[Cd+2].CCC(=O)[O-].CCC(=O)[O-],[Cd+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Cd/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.1/2Cd,,,,,,JTZFNJUMDPPGBY-UHFFFAOYSA-L,,,,,,,,,,,
100.037.319,241-067-8,16987-02-3,Sodium 2-chloropropionate,sodium 2-chloropropanoate,[Na+].CC(Cl)C(=O)[O-],[Na+].CC(Cl)C(=O)[O-],"InChI=1/C3H5ClO2.Na/c1-2(4)3(5)6;/h2H,1H3,(H,5,6);/q;+1/p-1",C3H5ClO2.Na,,,,,,RPOHBMAQTOJHKM-UHFFFAOYSA-M,,,,,,,,,,,
100.037.320,241-068-3,16990-60-6,"O-tert-butyl-N-[(2-nitrophenyl)thio]-L-serine, compound with dicyclohexylamine (1:1)",O-tert-butyl-N-[(2-nitrophenyl)sulfanyl]-L-serine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C13H18N2O5S.C12H23N/c1-13(2,3)20-8-9(12(16)17)14-21-11-7-5-4-6-10(11)15(18)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,9,14H,8H2,1-3H3,(H,16,17);11-13H,1-10H2",C13H18N2O5S.C12H23N,,,,,,DLGVUMLMYSSGHH-FVGYRXGTSA-N,,,,,,,,,,,
100.037.331,241-080-9,17003-75-7,"2-fluoro-2,2-dinitroethanol","2-fluoro-2,2-dinitroethanol",OCC(F)([N+](=O)[O-])[N+](=O)[O-],OCC(F)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C2H3FN2O5/c3-2(1-6,4(7)8)5(9)10/h6H,1H2",C2H3FN2O5,,,,,,DKSPPEUUPARRFY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.332,241-081-4,17003-79-1,"Bis(2-fluoro-2,2-dinitroethoxy)methane","2,2'-[methylenebis(oxy)]bis(1-fluoro-1,1-dinitroethane)",[O-][N+](=O)C(F)(COCOCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C(F)(COCOCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C5H6F2N4O10/c6-4(8(12)13,9(14)15)1-20-3-21-2-5(7,10(16)17)11(18)19/h1-3H2",C5H6F2N4O10,,,,,,WSZPRLKJOJINEP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.337,241-087-7,17013-01-3,Disodium fumarate,disodium but-2-enedioate,[Na+].[Na+].[O-]C(=O)\\C=C\\C(=O)[O-],[Na+].[Na+].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H4O4.2Na,,,,,,MSJMDZAOKORVFC-SEPHDYHBSA-L,,,,,,,,,,,
100.056.941,262-655-0,61204-00-0,trans-4-(4-butylcyclohexyl)benzonitrile,4-(4-butylcyclohexyl)benzonitrile,CCCCC1CCC(CC1)c2ccc(cc2)C#N,CCCCC1CCC(CC1)c2ccc(cc2)C#N,"InChI=1/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3",C17H23N,,,,,,YYAVXASAKUOZJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.945,262-659-2,61209-66-3,8-chloronaphthalene-1-thiol,8-chloronaphthalene-1-thiol,Sc1cccc2cccc(Cl)c12,Sc1cccc2cccc(Cl)c12,"InChI=1/C10H7ClS/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,12H",C10H7ClS,,,,,,YICMQGKNGMHCIU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.948,262-662-9,61214-12-8,(3-chloropropyl)tripropoxysilane,(3-chloropropyl)(tripropoxy)silane,CCCO[Si](CCCCl)(OCCC)OCCC,CCCO[Si](CCCCl)(OCCC)OCCC,"InChI=1/C12H27ClO3Si/c1-4-9-14-17(12-7-8-13,15-10-5-2)16-11-6-3/h4-12H2,1-3H3",C12H27ClO3Si,,,,,,PLXLQGPXPXIVKM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.951,262-666-0,61215-89-2,Pentadecylbenzenesulphonic acid,pentakis(decyl)benzenesulfonic acid,CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(c(CCCCCCCCCC)c1CCCCCCCCCC)S(=O)(=O)O,CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(c(CCCCCCCCCC)c1CCCCCCCCCC)S(=O)(=O)O,"InChI=1/C56H106O3S/c1-6-11-16-21-26-31-36-41-46-51-52(47-42-37-32-27-22-17-12-7-2)54(49-44-39-34-29-24-19-14-9-4)56(60(57,58)59)55(50-45-40-35-30-25-20-15-10-5)53(51)48-43-38-33-28-23-18-13-8-3/h6-50H2,1-5H3,(H,57,58,59)",C21H36O3S,,,,,,CRHCYVFWHKGDMU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.953,262-668-1,61219-93-0,N-allyl-3-(trifluoromethyl)aniline,N-allyl-3-(trifluoromethyl)aniline,FC(F)(F)c1cccc(NCC=C)c1,FC(F)(F)c1cccc(NCC=C)c1,"InChI=1/C10H10F3N/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h2-5,7,14H,1,6H2",C10H10F3N,,,,,,DGJLLKBHFCFOOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.954,262-669-7,61219-95-2,"N-allyl-2,2-dichloro-N-[3-(trifluoromethyl)phenyl]acetamide","N-allyl-2,2-dichloro-N-[3-(trifluoromethyl)phenyl]acetamide",FC(F)(F)c1cccc(c1)N(CC=C)C(=O)C(Cl)Cl,FC(F)(F)c1cccc(c1)N(CC=C)C(=O)C(Cl)Cl,"InChI=1/C12H10Cl2F3NO/c1-2-6-18(11(19)10(13)14)9-5-3-4-8(7-9)12(15,16)17/h2-5,7,10H,1,6H2",C12H10Cl2F3NO,,,,,,WWINJKYFUBEFBE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.963,262-679-1,61260-55-7,"N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine","N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine",CC1(C)CC(CC(C)(C)N1)NCCCCCCNC2CC(C)(C)NC(C)(C)C2,CC1(C)CC(CC(C)(C)N1)NCCCCCCNC2CC(C)(C)NC(C)(C)C2,"InChI=1/C24H50N4/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20/h19-20,25-28H,9-18H2,1-8H3",C24H50N4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14381,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.963,UKJARPDLRWBRAX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.966,262-682-8,61270-71-1,(6R-trans)-7-amino-8-oxo-3-[[[1-(sulphomethyl)-1H-tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CS(=O)(=O)O,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CS(=O)(=O)O,"InChI=1/C10H12N6O6S3/c11-5-7(17)16-6(9(18)19)4(1-23-8(5)16)2-24-10-12-13-14-15(10)3-25(20,21)22/h5,8H,1-3,11H2,(H,18,19)(H,20,21,22)",C10H12N6O6S3,,,,,,ATMROFNURATUIQ-XNCJUZBTSA-N,,,,,,,,,,,
100.058.867,264-773-8,64297-64-9,2-iodylbenzoic acid,2-iodylbenzoic acid,OC(=O)c1ccccc1I(=O)=O,OC(=O)c1ccccc1I(=O)=O,"InChI=1/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)",C7H5IO4,,,,,,FIYYMXYOBLWYQO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.868,264-774-3,64310-27-6,Magnesium hydroxymethanesulphinate (1:2),magnesium bis(hydroxymethanesulfinate),[MgH2].OCS(=O)[O-].OCS(=O)[O-],[MgH2].OCS(=O)[O-].OCS(=O)[O-],"InChI=1/2CH4O3S.Mg.2H/c2*2-1-5(3)4;;;/h2*2H,1H2,(H,3,4);;;/q;;+2;;/p-2/r2CH4O3S.H2Mg/c2*2-1-5(3)4;/h2*2H,1H2,(H,3,4);1H2/q;;+2/p-2",CH4O3S.1/2Mg,,,,,,TZQNSZDITYFCHA-UHFFFAOYSA-L,,,,,,,,,,,
100.058.871,264-778-5,64338-00-7,"2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one","2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one",CC1(C)CC2(CC(C)(C)N1)OC(C)(C)NC2=O,CC1(C)CC2(CC(C)(C)N1)OC(C)(C)NC2=O,"InChI=1/C13H24N2O2/c1-10(2)7-13(8-11(3,4)15-10)9(16)14-12(5,6)17-13/h15H,7-8H2,1-6H3,(H,14,16)",C13H24N2O2,,,,,,PJMWCYRMBJWCCG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.872,264-779-0,64338-09-6,"2,2-diethyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one","2,2-diethyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one",CCC1(CC)NC(=O)C2(CC(C)(C)NC(C)(C)C2)O1,CCC1(CC)NC(=O)C2(CC(C)(C)NC(C)(C)C2)O1,"InChI=1/C15H28N2O2/c1-7-15(8-2)16-11(18)14(19-15)9-12(3,4)17-13(5,6)10-14/h17H,7-10H2,1-6H3,(H,16,18)",C15H28N2O2,,,,,,YFCHXORLRMHHBR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.504,266-575-7,67107-94-2,cis-3-chlorodihydro-5-octylfuran-2(3H)-one,3-chloro-5-octyldihydrofuran-2(3H)-one,CCCCCCCC[C@@H]1C[C@H](Cl)C(=O)O1,CCCCCCCC[C@@H]1C[C@H](Cl)C(=O)O1,"InChI=1/C12H21ClO2/c1-2-3-4-5-6-7-8-10-9-11(13)12(14)15-10/h10-11H,2-9H2,1H3",C12H21ClO2,,,,,,ZOXNPTSGQCZQGA-MNOVXSKESA-N,,,,,,,,,,,
100.060.505,266-576-2,67107-95-3,trans-3-chlorodihydro-5-octylfuran-2(3H)-one,3-chloro-5-octyldihydrofuran-2(3H)-one,CCCCCCCC[C@@H]1C[C@@H](Cl)C(=O)O1,CCCCCCCC[C@@H]1C[C@@H](Cl)C(=O)O1,"InChI=1/C12H21ClO2/c1-2-3-4-5-6-7-8-10-9-11(13)12(14)15-10/h10-11H,2-9H2,1H3",C12H21ClO2,,,,,,ZOXNPTSGQCZQGA-GHMZBOCLSA-N,,,,,,,,,,,
100.037.342,241-092-4,17017-83-3,"Potassium 2-(2,5-dihydroxy-4-octadecylphenyl)-2-methylpropanesulphonate","potassium 2-(2,5-dihydroxy-4-octadecylphenyl)-2-methylpropane-1-sulfonate",[K+].CCCCCCCCCCCCCCCCCCc1cc(O)c(cc1O)C(C)(C)CS(=O)(=O)[O-],[K+].CCCCCCCCCCCCCCCCCCc1cc(O)c(cc1O)C(C)(C)CS(=O)(=O)[O-],"InChI=1/C28H50O5S.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-27(30)25(22-26(24)29)28(2,3)23-34(31,32)33;/h21-22,29-30H,4-20,23H2,1-3H3,(H,31,32,33);/q;+1/p-1",C28H50O5S.K,,,,,,JVUSYQDCMILMHT-UHFFFAOYSA-M,,,,,,,,,,,
100.037.344,241-095-0,17022-52-5,Iron(2+) succinate,iron(2+) succinate,[Fe+2].[O-]C(=O)CCC(=O)[O-],[Fe+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.xFe,,,,,,MDXRFOWKIZPNTA-UHFFFAOYSA-L,,,,,,,,,,,
100.037.351,241-102-7,17029-22-0,Potassium hexafluoroarsenate,potassium hexafluoroarsenate(1-),[K+].F[As-](F)(F)(F)(F)F,[K+].F[As-](F)(F)(F)(F)F,"InChI=1/AsF6.K/c2-1(3,4,5,6)7;/q-1;+1",AsF6.K,,,,,,DITNVAZRXJOPSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.363,241-115-8,17048-10-1,Octaethylsilanetetramine,"N,N,N',N',N'',N'',N''',N'''-octaethylsilanetetramine",CCN(CC)[Si](N(CC)CC)(N(CC)CC)N(CC)CC,CCN(CC)[Si](N(CC)CC)(N(CC)CC)N(CC)CC,"InChI=1/C16H40N4Si/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8/h9-16H2,1-8H3",C16H40N4Si,,,,,,GURMJCMOXLWZHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.371,241-124-7,17059-74-4,"3-(dimethylamino)-1,2-diphenyl-2-propen-1-one","3-(dimethylamino)-1,2-diphenylprop-2-en-1-one",CN(C)C=C(C(=O)c1ccccc1)c2ccccc2,CN(C)C=C(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C17H17NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13H,1-2H3",C17H17NO,,,,,,BOCHZOAPGOOZEX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.132,236-461-1,13385-66-5,"2-isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid hydrochloride","2-isopropyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid hydrochloride",Cl.CC(C)C1NC(C(=O)O)C(C)(C)S1,Cl.CC(C)C1NC(C(=O)O)C(C)(C)S1,"InChI=1/C9H17NO2S.ClH/c1-5(2)7-10-6(8(11)12)9(3,4)13-7;/h5-7,10H,1-4H3,(H,11,12);1H",C9H17NO2S.ClH,,,,,,CJCQTPCVKRWSLM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.702,260-191-3,56456-47-4,"2,4-difluorobenzyl alcohol","(2,4-difluorophenyl)methanol",OCc1ccc(F)cc1F,OCc1ccc(F)cc1F,"InChI=1/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2",C7H6F2O,,,,,,NIJZBWHOHNWJBX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.706,260-196-0,56471-13-7,"2-methyl-N,1-bis(1-methylethyl)cyclopentanecarboxamide","N,1-diisopropyl-2-methylcyclopentanecarboxamide",CC(C)NC(=O)C1(CCCC1C)C(C)C,CC(C)NC(=O)C1(CCCC1C)C(C)C,"InChI=1/C13H25NO/c1-9(2)13(8-6-7-11(13)5)12(15)14-10(3)4/h9-11H,6-8H2,1-5H3,(H,14,15)",C13H25NO,,,,,,UURITHKBXNEWEF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.707,260-197-6,56471-14-8,N-ethyl-2-methyl-1-(1-methylethyl)cyclopentanecarboxamide,N-ethyl-1-isopropyl-2-methylcyclopentanecarboxamide,CCNC(=O)C1(CCCC1C)C(C)C,CCNC(=O)C1(CCCC1C)C(C)C,"InChI=1/C12H23NO/c1-5-13-11(14)12(9(2)3)8-6-7-10(12)4/h9-10H,5-8H2,1-4H3,(H,13,14)",C12H23NO,,,,,,XDJYXLAMICXHRP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.710,260-200-0,56471-39-7,Ethyl N-[[1-(isopropyl)cycloheptyl]carbonyl]glycinate,ethyl N-[(1-isopropylcycloheptyl)carbonyl]glycinate,CCOC(=O)CNC(=O)C1(CCCCCC1)C(C)C,CCOC(=O)CNC(=O)C1(CCCCCC1)C(C)C,"InChI=1/C15H27NO3/c1-4-19-13(17)11-16-14(18)15(12(2)3)9-7-5-6-8-10-15/h12H,4-11H2,1-3H3,(H,16,18)",C15H27NO3,,,,,,MUAYLFNSIRHNHP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.711,260-201-6,56471-40-0,1-sec-butyl-N-ethylcycloheptanecarboxamide,1-sec-butyl-N-ethylcycloheptanecarboxamide,CCNC(=O)C1(CCCCCC1)C(C)CC,CCNC(=O)C1(CCCCCC1)C(C)CC,"InChI=1/C14H27NO/c1-4-12(3)14(13(16)15-5-2)10-8-6-7-9-11-14/h12H,4-11H2,1-3H3,(H,15,16)",C14H27NO,,,,,,POHIHTFXCLMQEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.718,260-208-4,56471-47-7,1-isopropyl-N-methyl-2-methylcycloheptanecarboxamide,"1-isopropyl-N,2-dimethylcycloheptanecarboxamide",CNC(=O)C1(CCCCCC1C)C(C)C,CNC(=O)C1(CCCCCC1C)C(C)C,"InChI=1/C13H25NO/c1-10(2)13(12(15)14-4)9-7-5-6-8-11(13)3/h10-11H,5-9H2,1-4H3,(H,14,15)",C13H25NO,,,,,,GAARKGMVKQICJE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.723,260-214-7,56480-06-9,Hexabromonaphthalene,"1,2,3,4,5,6-hexabromonaphthalene",Brc1ccc2c(Br)c(Br)c(Br)c(Br)c2c1Br,Brc1ccc2c(Br)c(Br)c(Br)c(Br)c2c1Br,InChI=1/C10H2Br6/c11-4-2-1-3-5(7(4)13)8(14)10(16)9(15)6(3)12/h1-2H,C10H2Br6,,,,,,BMYPOCOQKIUWNA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.726,260-217-3,56487-84-4,4-O-ß-D-galactopyranosyl-D-glucitol stearate,4-O-beta-D-galactopyranosyl-1-O-stearoyl-D-glucitol,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1/C30H58O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(35)40-20-22(34)25(36)29(21(33)18-31)42-30-28(39)27(38)26(37)23(19-32)41-30/h21-23,25-34,36-39H,2-20H2,1H3",C30H58O12,,,,,,IIYLMAIPMPRBFH-BGHSNXIRSA-N,,,,,,,,,,,
100.036.505,240-173-1,16034-77-8,Iocetamic acid,"3-[acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methylpropanoic acid",CC(CN(C(=O)C)c1c(I)cc(I)c(N)c1I)C(=O)O,CC(CN(C(=O)C)c1c(I)cc(I)c(N)c1I)C(=O)O,"InChI=1/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)",C12H13I3N2O3,,,,,,GSVQIUGOUKJHRC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.855,262-560-4,61019-78-1,a-butyl-a-phenyl-1H-imidazole-1-propiononitrile,2-(1H-imidazol-1-ylmethyl)-2-phenylhexanenitrile,CCCCC(Cn1ccnc1)(C#N)c2ccccc2,CCCCC(Cn1ccnc1)(C#N)c2ccccc2,"InChI=1/C16H19N3/c1-2-3-9-16(12-17,13-19-11-10-18-14-19)15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,13H2,1H3",C16H19N3,,,,,,OQOULEWDDRNBSG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.857,262-563-0,61027-69-8,"Aluminium, compound with copper (1:4)",aluminum - copper (1:4),[AlH3].[Cu].[Cu].[Cu].[Cu],[AlH3].[Cu].[Cu].[Cu].[Cu],InChI=1/Al.4Cu.3H/q+3;4*+1;;;/rAlH3.4Cu/h1H3;;;;/q+3;4*+1,Al.Cu,,,,,,DZOBCNIJXUXYTL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.859,262-565-1,61038-96-8,Methyl N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-[(3-acetamidophenyl)imino]dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)c1cc(ccc1)NC(C)=O,COC(=O)CCN(CCC(=O)OC)c1cc(ccc1)NC(C)=O,"InChI=1/C16H22N2O5/c1-12(19)17-13-5-4-6-14(11-13)18(9-7-15(20)22-2)10-8-16(21)23-3/h4-6,11H,7-10H2,1-3H3,(H,17,19)",C16H22N2O5,,,,,,SXJIGSGZTVVZEB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.863,262-569-3,61043-47-8,N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)-L-valinamide,N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)-L-valinamide,O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(O)=O)C(C)C,O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(O)=O)C(C)C,"InChI=1/C21H29N5O8/c1-11(2)18(21(32)24-14-5-7-15(8-6-14)26(33)34)25-20(31)13(4)23-19(30)12(3)22-16(27)9-10-17(28)29/h5-8,11-13,18H,9-10H2,1-4H3,(H,22,27)(H,23,30)(H,24,32)(H,25,31)(H,28,29)",C21H29N5O8,,,,,,IFAOJWCXOQHSQT-LXIYXOSZSA-N,,,,,,,,,,,
100.056.865,262-571-4,61049-89-6,"2,2'-[[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]imino]bisethanol","2,2'-({3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}imino)diethanol",OCCN(CCO)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,OCCN(CCO)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,"InChI=1/C19H21N5O2S/c1-14-13-16(24(9-11-25)10-12-26)7-8-17(14)21-22-19-20-18(23-27-19)15-5-3-2-4-6-15/h2-8,13,25-26H,9-12H2,1H3",C19H21N5O2S,,,,,,BCWCNVJFJHRIFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.868,262-575-6,61050-18-8,"N-(2,4-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)azo]naphthalene-2-carboxamide","N-(2,4-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)diazenyl]-2-naphthamide",COc4cc(ccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(OC)cc2)c3O)OC,COc4cc(ccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(OC)cc2)c3O)OC,"InChI=1/C26H23N3O5/c1-32-18-10-8-17(9-11-18)28-29-24-20-7-5-4-6-16(20)14-21(25(24)30)26(31)27-22-13-12-19(33-2)15-23(22)34-3/h4-15,30H,1-3H3,(H,27,31)",C26H23N3O5,,,,,,OFTBEVOAJZJTDC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.870,262-577-7,61050-46-2,"N-(2,5-dimethoxyphenyl)-4-[(2-ethylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide","N-(2,5-dimethoxyphenyl)-4-[(2-ethylphenyl)diazenyl]-3-hydroxy-2-naphthamide",COc4ccc(cc4NC(=O)c3cc1ccccc1c(N=Nc2ccccc2CC)c3O)OC,COc4ccc(cc4NC(=O)c3cc1ccccc1c(N=Nc2ccccc2CC)c3O)OC,"InChI=1/C27H25N3O4/c1-4-17-9-6-8-12-22(17)29-30-25-20-11-7-5-10-18(20)15-21(26(25)31)27(32)28-23-16-19(33-2)13-14-24(23)34-3/h5-16,31H,4H2,1-3H3,(H,28,32)",C27H25N3O4,,,,,,TYPLAIODXBMXQL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.871,262-578-2,61053-97-2,"4,4'-(4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichlorophenol] S,S-dioxide","4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dichlorophenol)",Oc1c(Cl)cc(cc1Cl)C2(OS(=O)(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4cc(Cl)c(O)c(Cl)c4,Oc1c(Cl)cc(cc1Cl)C2(OS(=O)(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4cc(Cl)c(O)c(Cl)c4,"InChI=1/C19H6Br4Cl4O5S/c20-12-11-18(15(23)14(22)13(12)21)33(30,31)32-19(11,5-1-7(24)16(28)8(25)2-5)6-3-9(26)17(29)10(27)4-6/h1-4,28-29H",C19H6Br4Cl4O5S,,,,,,MJVQTNLSJHMBJI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.874,262-581-9,61075-86-3,"Dihydrogen tetrachlorozincate(2-), compound with 6-fluoro-2-methylquinoline (1:2)",dihydrogen tetrachlorozincate(2-) - 6-fluoro-2-methylquinoline (1:2),Cc1ccc2cc(F)ccc2n1.Cc3ccc4cc(F)ccc4n3.Cl[Zn-2](Cl)(Cl)Cl,Cc1ccc2cc(F)ccc2n1.Cc3ccc4cc(F)ccc4n3.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C10H8FN.4ClH.Zn/c2*1-7-2-3-8-6-9(11)4-5-10(8)12-7;;;;;/h2*2-6H,1H3;4*1H;/q;;;;;;+2/p-4/r2C10H8FN.Cl4Zn/c2*1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-5(2,3)4/h2*2-6H,1H3;/q;;-2",C10H8FN.1/2Cl4Zn.H,,,,,,HILFBQDBKOIYMH-UHFFFAOYSA-J,,,,,,,,,,,
100.046.784,251-478-4,33369-47-0,"Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate","ethyl (1,4-dimethyl-1H-pyrrol-2-yl)acetate",CCOC(=O)Cc1cc(C)cn1C,CCOC(=O)Cc1cc(C)cn1C,"InChI=1/C10H15NO2/c1-4-13-10(12)6-9-5-8(2)7-11(9)3/h5,7H,4,6H2,1-3H3",C10H15NO2,,,,,,PISHKRUMARWBKY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.786,251-481-0,33371-00-5,"4-chloro-6,7,8-trimethoxyquinazoline","4-chloro-6,7,8-trimethoxyquinazoline",COc1cc2c(Cl)ncnc2c(OC)c1OC,COc1cc2c(Cl)ncnc2c(OC)c1OC,"InChI=1/C11H11ClN2O3/c1-15-7-4-6-8(13-5-14-11(6)12)10(17-3)9(7)16-2/h4-5H,1-3H3",C11H11ClN2O3,,,,,,BIICRHXSGPYQOV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.791,251-486-8,33375-68-7,Methyl S-(acetamidomethyl)-L-cysteinate monohydrochloride,methyl N-(acetamidomethyl)-L-cysteinate hydrochloride,Cl.COC(=O)[C@H](CS)NCNC(=O)C,Cl.COC(=O)[C@H](CS)NCNC(=O)C,"InChI=1/C7H14N2O3S.ClH/c1-5(10)8-4-9-6(3-13)7(11)12-2;/h6,9,13H,3-4H2,1-2H3,(H,8,10);1H",C7H14N2O3S.ClH,,,,,,WGKWAMWGEJHXLF-RGMNGODLSA-N,,,,,,,,,,,
100.046.792,251-487-3,33377-22-9,Didecylbenzene,"1,2-didecylbenzene",CCCCCCCCCCc1ccccc1CCCCCCCCCC,CCCCCCCCCCc1ccccc1CCCCCCCCCC,"InChI=1/C26H46/c1-3-5-7-9-11-13-15-17-21-25-23-19-20-24-26(25)22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22H2,1-2H3",C26H46,,,,,,FVEVOEHPSHPIOH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.338,241-088-2,17013-41-1,"5,5-dibutylbarbituric acid","5,5-dibutylpyrimidine-2,4,6(1H,3H,5H)-trione",CCCCC1(CCCC)C(=O)NC(=O)NC1=O,CCCCC1(CCCC)C(=O)NC(=O)NC1=O,"InChI=1/C12H20N2O3/c1-3-5-7-12(8-6-4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17)",C12H20N2O3,,,,,,KXOZJFGEGGNJDX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.644,260-127-4,56358-18-0,N-tridecylnaphthalen-2-amine,N-tridecylnaphthalen-2-amine,CCCCCCCCCCCCCNc1ccc2ccccc2c1,CCCCCCCCCCCCCNc1ccc2ccccc2c1,"InChI=1/C23H35N/c1-2-3-4-5-6-7-8-9-10-11-14-19-24-23-18-17-21-15-12-13-16-22(21)20-23/h12-13,15-18,20,24H,2-11,14,19H2,1H3",C23H35N,,,,,,VTHLRNWWADIQMB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.648,260-132-1,56363-84-9,2-chloro-4-hydroxybenzoic acid,2-chloro-4-hydroxybenzoic acid,OC(=O)c1ccc(O)cc1Cl,OC(=O)c1ccc(O)cc1Cl,"InChI=1/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)",C7H5ClO3,,,,,,WIPYZRZPNMUSER-UHFFFAOYSA-N,,,,,,,,,,,
100.054.659,260-144-7,56390-08-0,"(8S-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxynaphthacene-5,12-dione hydrochloride","3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside hydrochloride",Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C,Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C,"InChI=1/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H",C27H29NO10.ClH,,,,,,GUGHGUXZJWAIAS-RBSGUPIDSA-N,,,,,,,,,,,
100.054.663,260-148-9,56392-17-7,Metoprolol tartrate,"1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol 2,3-dihydroxysuccinate (salt)",COCCc1ccc(OCC(O)CNC(C)C)cc1.O[C@H]([C@@H](O)C(=O)O)C(=O)O,COCCc1ccc(OCC(O)CNC(C)C)cc1.O[C@H]([C@@H](O)C(=O)O)C(=O)O,"InChI=1/C15H25NO3.C4H6O6/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)",C15H25NO3.1/2C4H6O6,,,,,,WPTKISQJQVFSQI-LREBCSMRSA-N,,,,,,,,,,,
100.054.665,260-151-5,56395-29-0,N-[4-[[4-[(4-hydroxyphenyl)azo]-2-methylphenyl]azo]phenyl]acetamide,N-[4-({4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl}diazenyl)phenyl]acetamide,Oc3ccc(N=Nc2cc(C)c(N=Nc1ccc(NC(C)=O)cc1)cc2)cc3,Oc3ccc(N=Nc2cc(C)c(N=Nc1ccc(NC(C)=O)cc1)cc2)cc3,"InChI=1/C21H19N5O2/c1-14-13-19(25-23-18-7-10-20(28)11-8-18)9-12-21(14)26-24-17-5-3-16(4-6-17)22-15(2)27/h3-13,28H,1-2H3,(H,22,27)",C21H19N5O2,,,,,,PXZNMDUMLOIFTI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.678,260-165-1,56418-17-8,"1-(2-hydroxyethyl)-3-(tetradecenyl)pyrrolidine-2,5-dione","1-(2-hydroxyethyl)-3-tetradec-1-en-1-ylpyrrolidine-2,5-dione",O=C1C(CC(=O)N1CCO)C=CCCCCCCCCCCCC,O=C1C(CC(=O)N1CCO)C=CCCCCCCCCCCCC,"InChI=1/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(23)21(15-16-22)20(18)24/h13-14,18,22H,2-12,15-17H2,1H3",C20H35NO3,,,,,,IZWYOWSXBHHHGW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.952,238-464-3,14472-14-1,4-bromo-m-cresol,4-bromo-3-methylphenol,Cc1cc(O)ccc1Br,Cc1cc(O)ccc1Br,"InChI=1/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3",C7H7BrO,,,,,,GPOQODYGMUTOQL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.957,238-470-6,14475-11-7,"[R-(R*,R*)]-tartaric acid, sodium salt","sodium 3-carboxy-2,3-dihydroxypropanoate",OC(C(O)C(=O)O[Na])C(=O)O,OC(C(O)C(=O)O[Na])C(=O)O,"InChI=1/C4H6O6.Na/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1",C4H6O6.xNa,,,,,,NKAAEMMYHLFEFN-UHFFFAOYSA-M,,,,,,,,,,,
100.034.963,238-476-9,14481-29-9,Tetraammonium hexacyanoferrate,tetraammonium hexacyanoferrate,[NH4+].[NH4+].[NH4+].[NH4+].[Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N,[NH4+].[NH4+].[NH4+].[NH4+].[Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N,InChI=1/6CN.Fe.4H3N/c6*1-2;;;;;/h;;;;;;;4*1H3/q6*-1;+2;;;;/p+4,C6FeN6.4H4N,,,,,,ZXQVPEBHZMCRMC-UHFFFAOYSA-R,,,,,,,,,,,
100.034.965,238-479-5,14481-60-8,Disodium 4-(octadecylamino)-4-oxo-2-sulphonatobutyrate,disodium 4-(octadecylamino)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C22H43NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2",C22H43NO6S.2Na,,,,,,YXLIYGUJLJFLJH-UHFFFAOYSA-L,,,,,,,,,,,
100.034.969,238-483-7,14484-47-0,Deflazacort,"2-(5-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C,"InChI=1/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3",C25H31NO6,,,,,,FBHSPRKOSMHSIF-GRMWVWQJSA-N,,,,,,,,,,,
100.034.981,238-496-8,14488-85-8,Sodium (Z)-docos-13-enoate,sodium docos-13-enoate,[Na+].CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCCCCCC(=O)[O-],"InChI=1/C22H42O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h9-10H,2-8,11-21H2,1H3,(H,23,24);/q;+1/p-1",C22H42O2.Na,,,,,,POZWVHISDXHZLV-KVVVOXFISA-M,,,,,,,,,,,
100.060.507,266-578-3,67118-55-2,"Potassium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionate","potassium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate",[K+].[O-]C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,[K+].[O-]C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C6HF11O3.K/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;/h(H,18,19);/q;+1/p-1",C6HF11O3.K,,,,,,JEDKCJRGYITGMG-UHFFFAOYSA-M,,,,,,,,,,,
100.060.508,266-579-9,67118-57-4,"Potassium 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propionate","potassium 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate",[K+].[O-]C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F,[K+].[O-]C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C9HF17O4.K/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19;/h(H,27,28);/q;+1/p-1",C9HF17O4.K,,,,,,CIGILZLDPNHLAC-UHFFFAOYSA-M,,,,,,,,,,,
100.060.511,266-583-0,67129-08-2,"2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide","2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide",Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl,Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl,"InChI=1/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3",C14H16ClN3O,,,,,,STEPQTYSZVCJPV-UHFFFAOYSA-N,Positive,AU353901|AU353902|AU353903|AU353904|AU353905;SM841601;EA026901|EA026902|EA026903|EA026904|EA026905|EA026906|EA026907|EA026908|EA026909|EA026910|EA026911|EA026912|EA026913|EA026914;UF403601|UF403602|UF403603|UF403604;UA003101,[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55;CID35,210.0676:212.0644:278.105|134.0956:210.0676:135.0989|134.0957:135.0991:210.0676|134.0959:135.0994:132.0801|134.0958:135.0992:132.0802;134.0964:210.068:278.1055;210.0686:134.0966:76.9785|210.0683:134.0966:278.1055|134.0965:210.0681|134.0966:210.068:76.979|134.0966:105.07:76.979|134.0966:105.07:76.979|134.0966:105.07:79.0543|210.0682:134.0966:278.1054|134.0965:210.0681|134.0966:210.0681:76.9788|134.0966:105.07:76.9789|134.0965:105.0699:76.9789|134.0965:105.0699:79.0543|210.0681:134.0964;134.0963:76.9788|134.0964:76.9789|210.068:134.0964|210.068:134.0964;210.0681:134.0965,Athens_Univ;CASMI_2016;Eawag;UFZ;UFZ_Additional_Specs,,,,,
100.060.513,266-585-1,67140-10-7,2-allyl-2-ethylhex-3-enal,2-allyl-2-ethylhex-3-enal,CCC(C=CCC)(C=O)CC=C,CCC(C=CCC)(C=O)CC=C,"InChI=1/C11H18O/c1-4-7-9-11(6-3,10-12)8-5-2/h5,7,9-10H,2,4,6,8H2,1,3H3",C11H18O,,,,,,AGRIFDATABVSAA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.523,266-596-1,67177-07-5,N-(3-hydroxypropyl)stearamide,N-(3-hydroxypropyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCO,CCCCCCCCCCCCCCCCCC(=O)NCCCO,"InChI=1/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23/h23H,2-20H2,1H3,(H,22,24)",C21H43NO2,,,,,,GTBODJTVLNPEEM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.527,266-600-1,67184-55-8,"2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propionic acid",2-methyl-3-[(3-sulfanylpropanoyl)oxy]-2-{[(3-sulfanylpropanoyl)oxy]methyl}propanoic acid,CC(COC(=O)CCS)(COC(=O)CCS)C(=O)O,CC(COC(=O)CCS)(COC(=O)CCS)C(=O)O,"InChI=1/C11H18O6S2/c1-11(10(14)15,6-16-8(12)2-4-18)7-17-9(13)3-5-19/h18-19H,2-7H2,1H3,(H,14,15)",C11H18O6S2,,,,,,WFYBQZGINNOOHO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.505,261-075-5,58026-12-3,Dimethyl formylsuccinate,dimethyl 2-formylsuccinate,COC(=O)CC(C=O)C(=O)OC,COC(=O)CC(C=O)C(=O)OC,"InChI=1/C7H10O5/c1-11-6(9)3-5(4-8)7(10)12-2/h4-5H,3H2,1-2H3",C7H10O5,,,,,,RYFFRHSMYJVFER-UHFFFAOYSA-N,,,,,,,,,,,
100.055.513,261-083-9,58049-91-5,"3,3-dimethylcyclopentene","3,3-dimethylcyclopentene",CC1(C)CCC=C1,CC1(C)CCC=C1,"InChI=1/C7H12/c1-7(2)5-3-4-6-7/h3,5H,4,6H2,1-2H3",C7H12,,,,,,FONFXXNTLGAHGI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.517,261-088-6,58064-47-4,Sucrose dioctanoate,3-O-octanoyl-beta-D-fructofuranosyl 2-O-octanoyl-alpha-D-glucopyranoside,CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCC,CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCC,"InChI=1/C28H50O13/c1-3-5-7-9-11-13-20(32)38-25-24(36)22(34)18(15-29)37-27(25)41-28(17-31)26(23(35)19(16-30)40-28)39-21(33)14-12-10-8-6-4-2/h18-19,22-27,29-31,34-36H,3-17H2,1-2H3",C28H50O13,,,,,,YLMISLCUEUTFJN-AVONVRORSA-N,,,,,,,,,,,
100.055.518,261-089-1,58066-88-9,Dichloro(2-methoxyethyl)methylsilane,dichloro(2-methoxyethyl)methylsilane,COCC[Si](C)(Cl)Cl,COCC[Si](C)(Cl)Cl,"InChI=1/C4H10Cl2OSi/c1-7-3-4-8(2,5)6/h3-4H2,1-2H3",C4H10Cl2OSi,,,,,,CNKBKCGUSXCEJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.520,261-091-2,58067-05-3,Calcium 4-[(4-chloro-5-ethyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,calcium 4-[(4-chloro-5-ethyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ca+2].CCc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,[Ca+2].CCc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C19H15ClN2O6S.Ca/c1-2-10-8-15(16(9-14(10)20)29(26,27)28)21-22-17-12-6-4-3-5-11(12)7-13(18(17)23)19(24)25;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2",C19H15ClN2O6S.Ca,,,,,,DQWXOONYXGDFAT-UHFFFAOYSA-L,,,,,,,,,,,
100.055.522,261-093-3,58068-97-6,"4,5-dihydro-1-[3-(triethoxysilyl)propyl]-1H-imidazole","1-[3-(triethoxysilyl)propyl]-4,5-dihydro-1H-imidazole",CCO[Si](CCCN1CCN=C1)(OCC)OCC,CCO[Si](CCCN1CCN=C1)(OCC)OCC,"InChI=1/C12H26N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h12H,4-11H2,1-3H3",C12H26N2O3Si,,,,,,WBUSESIMOZDSHU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.528,261-101-5,58077-61-5,"1,1-dichloro-2-oxo-2-p-tolylethyl thiocyanate","1,1-dichloro-2-(4-methylphenyl)-2-oxoethyl thiocyanate",Cc1ccc(cc1)C(=O)C(Cl)(Cl)SC#N,Cc1ccc(cc1)C(=O)C(Cl)(Cl)SC#N,"InChI=1/C10H7Cl2NOS/c1-7-2-4-8(5-3-7)9(14)10(11,12)15-6-13/h2-5H,1H3",C10H7Cl2NOS,,,,,,YZSQRDNFHWDUJT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.532,261-105-7,58085-73-7,2-hydroxy-5-nonylbenzophenone,(2-hydroxy-5-nonylphenyl)(phenyl)methanone,CCCCCCCCCc1ccc(O)c(c1)C(=O)c2ccccc2,CCCCCCCCCc1ccc(O)c(c1)C(=O)c2ccccc2,"InChI=1/C22H28O2/c1-2-3-4-5-6-7-9-12-18-15-16-21(23)20(17-18)22(24)19-13-10-8-11-14-19/h8,10-11,13-17,23H,2-7,9,12H2,1H3",C22H28O2,,,,,,BHBZCWUKTDYMJM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.519,240-188-3,16045-92-4,Chlorosuccinic acid,4-chloro-4-oxobutanoic acid,OC(=O)CCC(Cl)=O,OC(=O)CCC(Cl)=O,"InChI=1/C4H5ClO3/c5-3(6)1-2-4(7)8/h1-2H2,(H,7,8)",C4H5ClO4,,,,,,MMZMROHDQCJAJT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.521,240-190-4,16047-24-8,2-methyl-4-nitrobenzenediazonium,2-methyl-4-nitrobenzenediazonium,Cc1cc(ccc1[N+]#N)[N+](=O)[O-],Cc1cc(ccc1[N+]#N)[N+](=O)[O-],"InChI=1/C7H6N3O2/c1-5-4-6(10(11)12)2-3-7(5)9-8/h2-4H,1H3/q+1",C7H6N3O2,,,,,,RNBOFGSATMLBRI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.526,240-196-7,16051-48-2,2-hydroxyethyl nitrate,2-hydroxyethyl nitrate,OCCO[N+](=O)[O-],OCCO[N+](=O)[O-],"InChI=1/C2H5NO4/c4-1-2-7-3(5)6/h4H,1-2H2",C2H5NO4,,,,,,HTKIMWYSDZQQBP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.532,240-202-8,16056-11-4,"N,N,N-trimethylanilinium bromide","N,N,N-trimethylanilinium bromide",[Br-].C[N+](C)(C)c1ccccc1,[Br-].C[N+](C)(C)c1ccccc1,"InChI=1/C9H14N.BrH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1",C9H14N.Br,,,,,,GNMJFQWRASXXMS-UHFFFAOYSA-M,,,,,,,,,,,
100.036.537,240-208-0,16064-83-8,Dihexyl maleate,dihexyl but-2-enedioate,CCCCCCOC(=O)\\C=C/C(=O)OCCCCCC,CCCCCCOC(=O)\C=C/C(=O)OCCCCCC,"InChI=1/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3",C16H28O4,,,,,,QMCVOSQFZZCSLN-QXMHVHEDSA-N,,,,,,,,,,,
100.036.541,240-212-2,16068-37-4,"4,4,7,7-tetraethoxy-3,8-dioxa-4,7-disiladecane","4,4,7,7-tetraethoxy-3,8-dioxa-4,7-disiladecane",CCO[Si](CC[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C14H34O6Si2/c1-7-15-21(16-8-2,17-9-3)13-14-22(18-10-4,19-11-5)20-12-6/h7-14H2,1-6H3",C14H34O6Si2,,,,,,IZRJPHXTEXTLHY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.543,240-214-3,16069-15-1,"N,N'-(1,6-hexanediyl)bismethacrylamide","N,N'-hexane-1,6-diylbis(2-methylacrylamide)",CC(=C)C(=O)NCCCCCCNC(=O)C(=C)C,CC(=C)C(=O)NCCCCCCNC(=O)C(=C)C,"InChI=1/C14H24N2O2/c1-11(2)13(17)15-9-7-5-6-8-10-16-14(18)12(3)4/h1,3,5-10H2,2,4H3,(H,15,17)(H,16,18)",C14H24N2O2,,,,,,YBKWKURHPIBUEM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.522,233-588-4,10250-45-0,3-methyl-1-isobutylbutyl acetate,1-isobutyl-3-methylbutyl acetate,CC(C)CC(CC(C)C)OC(=O)C,CC(C)CC(CC(C)C)OC(=O)C,"InChI=1/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3",C11H22O2,,,,,,XLJDNKNPKUBQMX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.525,233-592-6,10253-83-5,"5-anilino-1,3,4-thiadiazole-2(3H)-thione","5-anilino-1,3,4-thiadiazole-2(3H)-thione",S=C1NN=C(Nc2ccccc2)S1,S=C1NN=C(Nc2ccccc2)S1,"InChI=1/C8H7N3S2/c12-8-11-10-7(13-8)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)",C8H7N3S2,,,,,,BOJLJKMUGYYKCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.528,233-595-2,10257-28-0,D-galactopyranose,D-galactopyranose,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2",C6H12O6,,,,,,WQZGKKKJIJFFOK-SVZMEOIVSA-N,,,,,,,,,,,
100.030.538,233-606-0,10265-92-6,Methamidophos,"O,S-dimethyl amidothiophosphate",COP(=O)(N)SC,COP(=O)(N)SC,"InChI=1/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)",C2H8NO2PS,,,,,,NNKVPIKMPCQWCG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.539,233-607-6,10266-42-9,4-acetylphenylacetonitrile,(4-acetylphenyl)acetonitrile,CC(=O)c1ccc(CC#N)cc1,CC(=O)c1ccc(CC#N)cc1,"InChI=1/C10H9NO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6H2,1H3",C10H9NO,,,,,,OGRJRTLLXHAMOD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.548,233-617-0,10272-49-8,4-phenylpiperidinium chloride,4-phenylpiperidinium chloride,[Cl-].C1CC(CC[NH2+]1)c2ccccc2,[Cl-].C1CC(CC[NH2+]1)c2ccccc2,"InChI=1/C11H15N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H",C11H15N.ClH,,,,,,UPZJLQCUYUTZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.551,233-620-7,10276-85-4,Benzyl octanoate,benzyl octanoate,CCCCCCCC(=O)OCc1ccccc1,CCCCCCCC(=O)OCc1ccccc1,"InChI=1/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3",C15H22O2,,,,,,MWQWCHLIPMDVLS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.554,233-623-3,10278-46-3,4'-cyanobenzanilide,N-(4-cyanophenyl)benzamide,O=C(Nc1ccc(cc1)C#N)c2ccccc2,O=C(Nc1ccc(cc1)C#N)c2ccccc2,"InChI=1/C14H10N2O/c15-10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h1-9H,(H,16,17)",C14H10N2O,,,,,,BXZUKYCXOQHJAM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.557,233-627-5,10279-63-7,"Sulphuric acid, chromium potassium salt",-,[K+].[Cr+2].[O-]S(=O)(=O)[O-],[K+].[Cr+2].[O-]S(=O)(=O)[O-],"InChI=1/Cr.K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q+2;+1;/p-2",Cr.xH2O4S.xK,,,,,,CWKICENSNAHBFL-UHFFFAOYSA-L,,,,,,,,,,,
100.030.563,233-633-8,10285-73-1,"Sodium m-[5-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-methyl-2-thioxo-1,3,4-thiadiazolidin-3-yl]benzenesulphonate","sodium 3-[5-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4-methyl-2-thioxo-1,3,4-thiadiazolidin-3-yl]benzenesulfonate",[Na+].O=C1C(SC(=S)N1CC)=C3SC(=S)N(c2cccc(c2)S([O-])(=O)=O)N3C,[Na+].O=C1C(SC(=S)N1CC)=C3SC(=S)N(c2cccc(c2)S([O-])(=O)=O)N3C,"InChI=1/C14H13N3O4S5.Na/c1-3-16-11(18)10(24-13(16)22)12-15(2)17(14(23)25-12)8-5-4-6-9(7-8)26(19,20)21;/h4-7H,3H2,1-2H3,(H,19,20,21);/q;+1/p-1",C14H13N3O4S5.Na,,,,,,MFPZOMKINXNKNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.794,251-489-4,33386-08-2,"8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione monohydrochloride","8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride",Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4,"InChI=1/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H",C21H31N5O2.ClH,,,,,,RICLFGYGYQXUFH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.801,251-497-8,33400-47-4,"Ethyl [2-amino-6-[(1,2-diphenylethyl)amino]pyridin-3-yl]carbamate monohydrochloride","ethyl {2-amino-6-[(1,2-diphenylethyl)amino]pyridin-3-yl}carbamate hydrochloride",Cl.CCOC(=O)Nc1ccc(NC(Cc2ccccc2)c3ccccc3)nc1N,Cl.CCOC(=O)Nc1ccc(NC(Cc2ccccc2)c3ccccc3)nc1N,"InChI=1/C22H24N4O2.ClH/c1-2-28-22(27)25-18-13-14-20(26-21(18)23)24-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-14,19H,2,15H2,1H3,(H,25,27)(H3,23,24,26);1H",C22H24N4O2.ClH,,,,,,XQWVQRJTEUTZRV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.803,251-499-9,33401-49-9,N-[3-(trimethoxysilyl)propyl]-N'-(4-vinylbenzyl)ethylenediamine monohydrochloride,"N-[3-(trimethoxysilyl)propyl]-N'-(4-vinylbenzyl)ethane-1,2-diamine hydrochloride",Cl.CO[Si](CCCNCCNCc1ccc(C=C)cc1)(OC)OC,Cl.CO[Si](CCCNCCNCc1ccc(C=C)cc1)(OC)OC,"InChI=1/C17H30N2O3Si.ClH/c1-5-16-7-9-17(10-8-16)15-19-13-12-18-11-6-14-23(20-2,21-3)22-4;/h5,7-10,18-19H,1,6,11-15H2,2-4H3;1H",C17H30N2O3Si.ClH,,,,,,JWIKADZFCMEWBV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.804,251-500-2,33401-87-5,O-a-D-glucopyranosyl-(1<U+2192>6)-O-a-D-glucopyranosyl-(1<U+2192>4)-D-glucose,hexopyranosyl-(1->6)hexopyranosyl-(1->4)hexopyranose,OCC1OC(OCC2OC(OC3C(O)C(O)C(O)OC3CO)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(OC3C(O)C(O)C(O)OC3CO)C(O)C(O)C2O)C(O)C(O)C1O,"InChI=1/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2",C18H32O16,,,,,,OWEGMIWEEQEYGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.817,251-514-9,33425-97-7,"L-lysine, compound with N-(2,4-dihydroxy-3,3-dimethylbutyryl)-ß-alanine (1:1)","N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine - L-lysine (1:1)",CC(C)(CO)C(O)C(=O)NCCC(=O)O.NCCCC[C@H](N)C(=O)O,CC(C)(CO)C(O)C(=O)NCCC(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C9H17NO5.C6H14N2O2/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;7-4-2-1-3-5(8)6(9)10/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);5H,1-4,7-8H2,(H,9,10)",C9H17NO5.C6H14N2O2,,,,,,UTMIXPNUSXKMQF-ZSCHJXSPSA-N,,,,,,,,,,,
100.047.628,252-406-4,35158-25-9,2-isopropyl-5-methylhex-2-enal,2-isopropyl-5-methylhex-2-enal,CC(C)CC=C(C=O)C(C)C,CC(C)CC=C(C=O)C(C)C,"InChI=1/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3",C10H18O,,,,,,IOLQAHFPDADCHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.631,252-410-6,35161-70-7,N-methylhexylamine,N-methylhexan-1-amine,CCCCCCNC,CCCCCCNC,"InChI=1/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3",C7H17N,,,,,,XJINZNWPEQMMBV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.634,252-413-2,35168-62-8,"1,4-bis(bromomethyl)-2,5-dimethylbenzene","1,4-bis(bromomethyl)-2,5-dimethylbenzene",Cc1cc(CBr)c(C)cc1CBr,Cc1cc(CBr)c(C)cc1CBr,"InChI=1/C10H12Br2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3",C10H12Br2,,,,,,MUSYLRHTIZVVCB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.638,252-417-4,35171-26-7,"3,3'-pyridine-2,4-diylbis[5,6-diphenyl-1,2,4-triazine]","3,3'-pyridine-2,4-diylbis(5,6-diphenyl-1,2,4-triazine)",c1ccc(cc1)c2nnc(nc2c3ccccc3)c4ccnc(c4)c5nnc(c6ccccc6)c(n5)c7ccccc7,c1ccc(cc1)c2nnc(nc2c3ccccc3)c4ccnc(c4)c5nnc(c6ccccc6)c(n5)c7ccccc7,InChI=1/C35H23N7/c1-5-13-24(14-6-1)30-32(26-17-9-3-10-18-26)39-41-34(37-30)28-21-22-36-29(23-28)35-38-31(25-15-7-2-8-16-25)33(40-42-35)27-19-11-4-12-20-27/h1-23H,C35H23N7,,,,,,VPFRKCLANRPJBN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.641,252-421-6,35182-51-5,4-(1-ethylpropyl)pyridine,4-(1-ethylpropyl)pyridine,CCC(CC)c1ccncc1,CCC(CC)c1ccncc1,"InChI=1/C10H15N/c1-3-9(4-2)10-5-7-11-8-6-10/h5-9H,3-4H2,1-2H3",C10H15N,,,,,,YHXYCIZBTSECRP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.644,252-424-2,35193-14-7,Sodium 2-hydroxy-3-[(4-hydroxy-2-butynyl)oxy]propanesulphonate,sodium 2-hydroxy-3-[(4-hydroxybut-2-yn-1-yl)oxy]propane-1-sulfonate,[Na+].OCC#CCOCC(O)CS(=O)(=O)[O-],[Na+].OCC#CCOCC(O)CS(=O)(=O)[O-],"InChI=1/C7H12O6S.Na/c8-3-1-2-4-13-5-7(9)6-14(10,11)12;/h7-9H,3-6H2,(H,10,11,12);/q;+1/p-1",C7H12O6S.Na,,,,,,QDUJXKVJIOXKCL-UHFFFAOYSA-M,,,,,,,,,,,
100.047.645,252-425-8,35193-63-6,"4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide","dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide",OP1(=O)Oc2ccc3ccccc3c2c4c(O1)ccc5ccccc45,OP1(=O)Oc2ccc3ccccc3c2c4c(O1)ccc5ccccc45,"InChI=1/C20H13O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h1-12H,(H,21,22)",C20H13O4P,,,,,,JEHUZVBIUCAMRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.647,252-427-9,35194-36-6,Hex-4-enoic acid,hex-4-enoic acid,CC=CCCC(O)=O,CC=CCCC(O)=O,"InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)",C6H10O2,,,,,,NIDHFQDUBOVBKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.673,252-456-7,35239-30-6,Chlorodimethyl(methylphenyl)silane,chloro(dimethyl)(2-methylphenyl)silane,Cc1ccccc1[Si](C)(C)Cl,Cc1ccccc1[Si](C)(C)Cl,"InChI=1/C9H13ClSi/c1-8-6-4-5-7-9(8)11(2,3)10/h4-7H,1-3H3",C9H13ClSi,,,,,,VIJZFXJTHHFAIO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.982,238-497-3,14489-75-9,N-methylnaphthalene-1-methylamine,N-methyl-1-(1-naphthyl)methanamine,CNCc1cccc2ccccc12,CNCc1cccc2ccccc12,"InChI=1/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3",C12H13N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16035,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.982,MQRIUFVBEVFILS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.989,238-505-5,14496-24-3,"Furan-3,4-diyldimethanol","furan-3,4-diyldimethanol",OCc1cocc1CO,OCc1cocc1CO,"InChI=1/C6H8O3/c7-1-5-3-9-4-6(5)2-8/h3-4,7-8H,1-2H2",C6H8O3,,,,,,RNKXUVJWMOMTHV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.991,238-507-6,14497-03-1,"3,3'-(sulphanilylimino)bispropionamide","3,3'-{[(4-aminophenyl)sulfonyl]imino}dipropanamide (non-preferred name)",NC(=O)CCN(CCC(=O)N)S(=O)(=O)c1ccc(N)cc1,NC(=O)CCN(CCC(=O)N)S(=O)(=O)c1ccc(N)cc1,"InChI=1/C12H18N4O4S/c13-9-1-3-10(4-2-9)21(19,20)16(7-5-11(14)17)8-6-12(15)18/h1-4H,5-8,13H2,(H2,14,17)(H2,15,18)",C12H18N4O4S,,,,,,ZHZLFUXAZNZHIH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.996,238-512-3,14507-45-0,"(13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-ol","13-ethyl-3-methoxy-7,11,12,13,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",CCC12CCC3=C(CCc4cc(OC)ccc34)C1=CCC2O,CCC12CCC3=C(CCc4cc(OC)ccc34)C1=CCC2O,"InChI=1/C20H24O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7-8,12,19,21H,3-4,6,9-11H2,1-2H3",C20H24O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17846,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.996,ZJQGGFJSKJQCBD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.471,241-235-0,17194-82-0,4-hydroxyphenylacetamide,2-(4-hydroxyphenyl)acetamide,NC(=O)Cc1ccc(O)cc1,NC(=O)Cc1ccc(O)cc1,"InChI=1/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)",C8H9NO2,,,,,,YBPAYPRLUDCSEY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.474,241-238-7,17196-51-9,"N2,N2-dimethyl-N6-oleoyl-DL-lysine","N~2~,N~2~-dimethyl-N~6~-oleoyl-L-lysine",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,"InChI=1/C26H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)27-23-20-19-21-24(26(30)31)28(2)3/h11-12,24H,4-10,13-23H2,1-3H3,(H,27,29)(H,30,31)",C26H50N2O3,,,,,,PPYOSYACEILSKE-IPYQYMIDSA-N,,,,,,,,,,,
100.037.475,241-239-2,17196-53-1,"N6,N6-dimethyl-N2-palmitoyl-L-lysine","N~6~,N~6~-dimethyl-N~2~-palmitoyl-L-lysine",CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN(C)C)C(=O)O,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN(C)C)C(=O)O,"InChI=1/C24H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-22(24(28)29)19-17-18-21-26(2)3/h22H,4-21H2,1-3H3,(H,25,27)(H,28,29)",C24H48N2O3,,,,,,GWDTVVIWAYRGHH-QFIPXVFZSA-N,,,,,,,,,,,
100.037.477,241-241-3,17199-74-5,"5,5-diphenylimidazolidine-2,4-dione, calcium salt (2:1)",-,[Ca+2].O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,[Ca+2].O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,"InChI=1/C15H12N2O2.Ca/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+2",C15H12N2O2.1/2Ca,,,,,,BJXCWMFJUOHSBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.494,241-260-7,17216-62-5,Diethyl (2-cyanoethyl)malonate,diethyl (2-cyanoethyl)malonate,CCOC(=O)C(CCC#N)C(=O)OCC,CCOC(=O)C(CCC#N)C(=O)OCC,"InChI=1/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3",C10H15NO4,,,,,,YJJLOESDBPRZIP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.496,241-262-8,17223-66-4,"2',4'-dichloroacetoacetanilide","N-[2,4-bis(chloroacetyl)phenyl]acetamide",CC(=O)Nc1ccc(cc1C(=O)CCl)C(=O)CCl,CC(=O)Nc1ccc(cc1C(=O)CCl)C(=O)CCl,"InChI=1/C12H11Cl2NO3/c1-7(16)15-10-3-2-8(11(17)5-13)4-9(10)12(18)6-14/h2-4H,5-6H2,1H3,(H,15,16)",C10H9Cl2NO2,,,,,,HSYQJKDZHXYYNG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.499,241-265-4,17228-67-0,2-chloro-4-pyridone,2-chloropyridin-4(1H)-one,ClC1=CC(=O)C=CN1,ClC1=CC(=O)C=CN1,"InChI=1/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)",C5H4ClNO,,,,,,VBEHFOMFHUQAOW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.341,241-091-9,17017-57-1,"Phosphoric acid, titanium(4+) salt",-,[Ti+4].[O-]P(=O)([O-])[O-],[Ti+4].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Ti/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+4/p-3",H3O4P.xTi,,,,,,SCZMHJCEJAGXRV-UHFFFAOYSA-K,,,,,,,,,,,
100.037.349,241-100-6,17026-81-2,N-(3-amino-4-ethoxyphenyl)acetamide,N-(3-amino-4-ethoxyphenyl)acetamide,CCOc1ccc(NC(=O)C)cc1N,CCOc1ccc(NC(=O)C)cc1N,"InChI=1/C10H14N2O2/c1-3-14-10-5-4-8(6-9(10)11)12-7(2)13/h4-6H,3,11H2,1-2H3,(H,12,13)",C10H14N2O2,,,,,,XTXFAVHDQCHWCS-UHFFFAOYSA-N,,,,,,,,,,,
100.037.350,241-101-1,17026-88-9,2-ethyl-2-methyloxazolidine-3-ethanol,"2-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanol",CCC1(C)OCCN1CCO,CCC1(C)OCCN1CCO,"InChI=1/C8H17NO2/c1-3-8(2)9(4-6-10)5-7-11-8/h10H,3-7H2,1-2H3",C8H17NO2,,,,,,IBWDRPSBZYIJIU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.360,241-112-1,17043-10-6,"(Z,Z)-dioctadec-9-enyl 3,3'-thiobispropionate","dioctadec-9-en-1-yl 3,3'-sulfanediyldipropanoate",CCCCCCCCC=CCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C42H78O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-40H2,1-2H3",C42H78O4S,,,,,,NTPFJSYVROWMFR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.533,261-106-2,58085-76-0,"3,5-dinonylphenol","3,5-dinonylphenol",CCCCCCCCCc1cc(O)cc(CCCCCCCCC)c1,CCCCCCCCCc1cc(O)cc(CCCCCCCCC)c1,"InChI=1/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-23(21-24(25)20-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3",C24H42O,,,,,,LAVFEHMYWVKTNW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.538,261-112-5,58090-28-1,[[p-(methylsulphonyl)phenoxy]methyl]oxirane,2-{[4-(methylsulfonyl)phenoxy]methyl}oxirane,CS(=O)(=O)c1ccc(OCC2CO2)cc1,CS(=O)(=O)c1ccc(OCC2CO2)cc1,"InChI=1/C10H12O4S/c1-15(11,12)10-4-2-8(3-5-10)13-6-9-7-14-9/h2-5,9H,6-7H2,1H3",C10H12O4S,,,,,,NXPYKVZYIMYBPY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.543,261-117-2,58096-46-1,"4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl formate","4,4,8-trimethyltricyclo[6.3.1.0~2,5~]dodec-1-yl formate",CC12CCCC(C1)(OC=O)C3CC(C)(C)C3CC2,CC12CCCC(C1)(OC=O)C3CC(C)(C)C3CC2,"InChI=1/C16H26O2/c1-14(2)9-13-12(14)5-8-15(3)6-4-7-16(13,10-15)18-11-17/h11-13H,4-10H2,1-3H3",C16H26O2,,,,,,BGEIOYHSLPDHJC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.545,261-119-3,58098-20-7,"2-butyl-2-[[3-[(2-butyldihydro-6-oxo-4H-1,3,2-oxathiastannin-2-yl)oxy]-3-oxopropyl]thio]dihydro-6H-1,3,2-oxathiastannin-6-one","2-butyl-2-({3-[(2-butyl-6-oxo-1,3,2-oxathiastanninan-2-yl)oxy]-3-oxopropyl}sulfanyl)-1,3,2-oxathiastanninan-6-one",CCCC[Sn]1(OC(=O)CCS[Sn]2(CCCC)OC(=O)CCS2)OC(=O)CCS1,CCCC[Sn]1(OC(=O)CCS[Sn]2(CCCC)OC(=O)CCS2)OC(=O)CCS1,"InChI=1/2C4H9.3C3H6O2S.2Sn/c2*1-3-4-2;3*4-3(5)1-2-6;;/h2*1,3-4H2,2H3;3*6H,1-2H2,(H,4,5);;/q;;;;;2*+3/p-6/rC17H30O6S3Sn2/c1-3-5-13-27(21-15(18)7-10-24-27)22-16(19)8-11-25-28(14-6-4-2)23-17(20)9-12-26-28/h3-14H2,1-2H3",C17H30O6S3Sn2,,,,,,CUVFYNWUDYVKHP-UHFFFAOYSA-H,,,,,,,,,,,
100.057.465,263-231-8,61798-68-3,"1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium toluene-p-sulphonate","1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[n+]2ccccc2,Cc1ccc(cc1)S(=O)(=O)[O-].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[n+]2ccccc2,"InChI=1/C15H9F17N.C7H8O3S/c16-8(17,4-7-33-5-2-1-3-6-33)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6H,4,7H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C15H9F17N.C7H7O3S,,,,,,ZUDDXBNNEBHAMS-UHFFFAOYSA-M,,,,,,,,,,,
100.057.466,263-232-3,61798-69-4,"(2-carboxyethyl)dimethyl-3-[[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulphonyl]amino]propylammonium hydroxide","N-(2-carboxyethyl)-N,N-dimethyl-3-{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}propan-1-aminium hydroxide",[OH-].C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)O,[OH-].C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)O,"InChI=1/C16H21F13N2O4S.H2O/c1-31(2,8-4-10(32)33)7-3-6-30-36(34,35)9-5-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29;/h30H,3-9H2,1-2H3;1H2",C16H21F13N2O4S,,,,,,ZCHLYYSOFJJOQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.475,263-242-8,61813-46-5,5-amino-8-(phenylazo)naphthol,5-amino-8-(phenyldiazenyl)-1-naphthol,Nc3ccc(N=Nc1ccccc1)c2c3cccc2O,Nc3ccc(N=Nc1ccccc1)c2c3cccc2O,"InChI=1/C16H13N3O/c17-13-9-10-14(16-12(13)7-4-8-15(16)20)19-18-11-5-2-1-3-6-11/h1-10,20H,17H2",C16H13N3O,,,,,,JWOZRIGMPUGFIA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.481,263-249-6,61824-46-2,p-propylphenyl acetate,4-propylphenyl acetate,CCCc1ccc(OC(=O)C)cc1,CCCc1ccc(OC(=O)C)cc1,"InChI=1/C11H14O2/c1-3-4-10-5-7-11(8-6-10)13-9(2)12/h5-8H,3-4H2,1-2H3",C11H14O2,,,,,,NAFYQPWOHMIWTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.486,263-254-3,61827-49-4,"Tetrasodium tetrahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","tetrasodium tetrahydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.4Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;/q;4*+1/p-8",C6H20N2O12P4.4Na,,,,,,HWBBOUHGZNBHSW-UHFFFAOYSA-F,,,,,,,,,,,
100.057.490,263-259-0,61827-67-6,Sodium 4-acetylbenzenesulphonate,sodium 4-acetylbenzenesulfonate,[Na+].CC(=O)c1ccc(cc1)S(=O)(=O)[O-],[Na+].CC(=O)c1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C8H8O4S.Na/c1-6(9)7-2-4-8(5-3-7)13(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1",C8H8O4S.Na,,,,,,PUWCULQGLSPCMQ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.493,263-262-7,61827-72-3,4-(1-methyl-1-phenylethyl)-2-(phenylazo)phenol,4-(1-methyl-1-phenylethyl)-2-(phenyldiazenyl)phenol,Oc2ccc(cc2N=Nc1ccccc1)C(C)(C)c3ccccc3,Oc2ccc(cc2N=Nc1ccccc1)C(C)(C)c3ccccc3,"InChI=1/C21H20N2O/c1-21(2,16-9-5-3-6-10-16)17-13-14-20(24)19(15-17)23-22-18-11-7-4-8-12-18/h3-15,24H,1-2H3",C21H20N2O,,,,,,GVMFWMBAYSJHFF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.499,263-269-5,61836-75-7,"3,3,5-trimethylhexyl acetate","3,3,5-trimethylhexyl acetate",CC(C)CC(C)(C)CCOC(=O)C,CC(C)CC(C)(C)CCOC(=O)C,"InChI=1/C11H22O2/c1-9(2)8-11(4,5)6-7-13-10(3)12/h9H,6-8H2,1-5H3",C11H22O2,,,,,,GLSWNDHZBIBVLB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.979,262-696-4,61296-10-4,6-chloro-N-nitropyridazin-3-amine,6-chloro-N-nitropyridazin-3-amine,[O-][N+](=O)Nc1ccc(Cl)nn1,[O-][N+](=O)Nc1ccc(Cl)nn1,"InChI=1/C4H3ClN4O2/c5-3-1-2-4(7-6-3)8-9(10)11/h1-2H,(H,7,8)",C4H3ClN4O2,,,,,,UJGJMUKTKKWYGW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.566,233-636-4,10287-60-2,2-aminoethyl stearate,2-aminoethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCN,CCCCCCCCCCCCCCCCCC(=O)OCCN,"InChI=1/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h2-19,21H2,1H3",C20H41NO2,,,,,,GKZOXESZAALTKG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.138,236-467-4,13390-78-8,"Azacyclotridecan-2-one, sodium salt",-,[Na+].O=C1CCCCCCCCCCCN1,[Na+].O=C1CCCCCCCCCCCN1,"InChI=1/C12H23NO.Na/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12;/h1-11H2,(H,13,14);/q;+1",C12H23NO.Na,,,,,,GWAKNTDGNDIVHD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.144,236-474-2,13393-64-1,"Deca-1,5,9-triene","deca-1,5,9-triene",C=CCCC=CCCC=C,C=CCCC=CCCC=C,"InChI=1/C10H16/c1-3-5-7-9-10-8-6-4-2/h3-4,9-10H,1-2,5-8H2",C10H16,,,,,,GMGYODAMPOELNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.149,236-480-5,13395-73-8,"4,4,6-trimethylcyclohex-2-en-1-one","4,4,6-trimethylcyclohex-2-en-1-one",CC1CC(C)(C)C=CC1=O,CC1CC(C)(C)C=CC1=O,"InChI=1/C9H14O/c1-7-6-9(2,3)5-4-8(7)10/h4-5,7H,6H2,1-3H3",C9H14O,,,,,,PLXVUZMJQPEWPH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.152,236-483-1,13396-80-0,9-phosphabicyclo[4.2.1]nonane,9-phosphabicyclo[4.2.1]nonane,C1CCC2CCC(C1)P2,C1CCC2CCC(C1)P2,"InChI=1/C8H15P/c1-2-4-8-6-5-7(3-1)9-8/h7-9H,1-6H2",C8H15P,,,,,,RTWRUXIOIPQRRE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.153,236-484-7,13397-95-0,"1-[(phosphonooxy)methyl]ethane-1,2-diyl bis[(9Z,12Z)-octadeca-9,12-dienoate]","3-(phosphonooxy)propane-1,2-diyl bisoctadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)",C39H69O8P,,,,,,OBXRDFNCKFWKNY-MAZCIEHSSA-N,,,,,,,,,,,
100.033.156,236-487-3,13400-13-0,Caesium fluoride,caesium fluoride,[F-].[Cs+],[F-].[Cs+],InChI=1/Cs.FH/h;1H/q+1;/p-1,CsF,,,,,,XJHCXCQVJFPJIK-UHFFFAOYSA-M,,,,,,,,,,,
100.033.157,236-488-9,13401-56-4,"3-chloro-2,2-dimethylpropan-1-ol","3-chloro-2,2-dimethylpropan-1-ol",CC(C)(CO)CCl,CC(C)(CO)CCl,"InChI=1/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3",C5H11ClO,,,,,,CAZPRAORHCOIHC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.161,236-493-6,13402-08-9,N-[(acetylamino)carbonyl]-2-phenylbutanamide,N-(acetylcarbamoyl)-2-phenylbutanamide,CCC(C(=O)NC(=O)NC(=O)C)c1ccccc1,CCC(C(=O)NC(=O)NC(=O)C)c1ccccc1,"InChI=1/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)",C13H16N2O3,,,,,,GBPZSCQLDXUGNO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.162,236-494-1,13402-96-5,"[2,4-bis(1,1-dimethylpropyl)phenoxy]acetic acid","[2,4-bis(1,1-dimethylpropyl)phenoxy]acetic acid",CCC(C)(C)c1ccc(OCC(=O)O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCC(=O)O)c(c1)C(C)(C)CC,"InChI=1/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)",C18H28O3,,,,,,QXQMENSTZKYZCE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.169,236-501-8,13410-01-0,Sodium selenate,disodium selenate,[Na+].[Na+].[O-][Se](=O)(=O)[O-],[Na+].[Na+].[O-][Se](=O)(=O)[O-],"InChI=1/2Na.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O4Se.2Na,,,,,,MHQOTKLEMKRJIR-UHFFFAOYSA-L,,,,,,,,,,,
100.033.171,236-503-9,13411-16-0,Nifurpirinol,{6-[2-(5-nitro-2-furyl)vinyl]pyridin-2-yl}methanol,O=[N+]([O-])c2ccc(C=Cc1cccc(CO)n1)o2,O=[N+]([O-])c2ccc(C=Cc1cccc(CO)n1)o2,"InChI=1/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2",C12H10N2O4,,,,,,JQKHJQJVKRFMCO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.172,236-504-4,13411-42-2,"2-trimethylsilyl-1,3-dithiane","1,3-dithian-2-yl(trimethyl)silane",C[Si](C)(C)C1SCCCS1,C[Si](C)(C)C1SCCCS1,"InChI=1/C7H16S2Si/c1-10(2,3)7-8-5-4-6-9-7/h7H,4-6H2,1-3H3",C7H16S2Si,,,,,,BTTUMVHWIAXYPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.178,236-511-2,13416-17-6,3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium iodide,"3-(2-methoxyethyl)-2-(2-{[3-(2-methoxyethyl)-5-phenyl-1,3-benzoxazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-5-phenyl-1,3-benzoxazol-3-ium iodide",[I-].COCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCOC)c3ccccc3)c6ccccc6,[I-].COCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCOC)c3ccccc3)c6ccccc6,"InChI=1/C37H37N2O4.HI/c1-4-27(23-36-38(19-21-40-2)32-25-30(15-17-34(32)42-36)28-11-7-5-8-12-28)24-37-39(20-22-41-3)33-26-31(16-18-35(33)43-37)29-13-9-6-10-14-29;/h5-18,23-26H,4,19-22H2,1-3H3;1H/q+1;/p-1",C37H37N2O4.I,,,,,,ZJLZKBRBTKTKHW-UHFFFAOYSA-M,,,,,,,,,,,
100.033.179,236-512-8,13416-97-2,"1,4-bis(2,3-epoxypropoxy)but-2-ene","2,2'-[but-2-ene-1,4-diylbis(oxymethylene)]dioxirane",C(C=CCOCC1CO1)OCC2CO2,C(C=CCOCC1CO1)OCC2CO2,"InChI=1/C10H16O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h1-2,9-10H,3-8H2",C10H16O4,,,,,,BWXBPYQYGSWEDA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.181,236-514-9,13417-08-8,N-methylhexadecylamine,N-methylhexadecan-1-amine,CCCCCCCCCCCCCCCCNC,CCCCCCCCCCCCCCCCNC,"InChI=1/C17H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h18H,3-17H2,1-2H3",C17H37N,,,,,,IHFXMTOFDQKABX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.739,267-933-5,67952-96-9,"N,N,N',N',2-pentamethylpropane-1,3-diamine","N,N,N',N',2-pentamethylpropane-1,3-diamine",CC(CN(C)C)CN(C)C,CC(CN(C)C)CN(C)C,"InChI=1/C8H20N2/c1-8(6-9(2)3)7-10(4)5/h8H,6-7H2,1-5H3",C8H20N2,,,,,,XYKOFBRSFFWOSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.742,267-936-1,67952-99-2,"Octacosanoic acid, compound with 1,1',1''-nitrilotri(propan-2-ol) (1:1)","octacosanoic acid - 1,1',1''-nitrilotripropan-2-ol (1:1)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O,"InChI=1/C28H56O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-27H2,1H3,(H,29,30);7-9,11-13H,4-6H2,1-3H3",C28H56O2.C9H21NO3,,,,,,OQOLGRQQMXUQNR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.748,267-942-4,67953-05-3,1-ethyl-3-methylpentylamine,5-methylheptan-3-amine,CCC(C)CC(N)CC,CCC(C)CC(N)CC,"InChI=1/C8H19N/c1-4-7(3)6-8(9)5-2/h7-8H,4-6,9H2,1-3H3",C8H19N,,,,,,HGEQWMSHDSUEJA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.749,267-944-5,67953-08-6,N-(4-nitrophenyl)-L-glutamine monohydrochloride,N-(4-nitrophenyl)-L-glutamine hydrochloride,Cl.O=C(Nc1ccc(cc1)[N+]([O-])=O)CC[C@H](N)C(O)=O,Cl.O=C(Nc1ccc(cc1)[N+]([O-])=O)CC[C@H](N)C(O)=O,"InChI=1/C11H13N3O5.ClH/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H",C11H13N3O5.ClH,,,,,,OJEVFSFTVARWQX-FVGYRXGTSA-N,,,,,,,,,,,
100.056.625,262-307-8,60577-23-3,ß-(dimethylamino)-ß-ethylphenethyl alcohol hydrochloride,2-(dimethylamino)-2-phenylbutan-1-ol hydrochloride,Cl.CCC(CO)(N(C)C)c1ccccc1,Cl.CCC(CO)(N(C)C)c1ccccc1,"InChI=1/C12H19NO.ClH/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H",C12H19NO.ClH,,,,,,IUWCMNVPMWVJRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.645,262-329-8,60613-17-4,"2,3,5-trichloro-4-(propylthio)pyridine","2,3,5-trichloro-4-(propylsulfanyl)pyridine",CCCSc1c(Cl)cnc(Cl)c1Cl,CCCSc1c(Cl)cnc(Cl)c1Cl,"InChI=1/C8H8Cl3NS/c1-2-3-13-7-5(9)4-12-8(11)6(7)10/h4H,2-3H2,1H3",C8H8Cl3NS,,,,,,AJXXZBRIJJPKSB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.649,262-334-5,60623-04-3,"2,2-bis[[(2-hexyl-1-oxodecyl)oxy]methyl]-1,3-propanediyl bis(2-hexyldecanoate)","3-[(2-hexyldecanoyl)oxy]-2,2-bis{[(2-hexyldecanoyl)oxy]methyl}propyl 2-hexyldecanoate (non-preferred name)",CCCCCCCCC(CCCCCC)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCC)(COC(=O)C(CCCCCC)CCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC,CCCCCCCCC(CCCCCC)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCC)(COC(=O)C(CCCCCC)CCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC,"InChI=1/C69H132O8/c1-9-17-25-33-37-45-53-61(49-41-29-21-13-5)65(70)74-57-69(58-75-66(71)62(50-42-30-22-14-6)54-46-38-34-26-18-10-2,59-76-67(72)63(51-43-31-23-15-7)55-47-39-35-27-19-11-3)60-77-68(73)64(52-44-32-24-16-8)56-48-40-36-28-20-12-4/h61-64H,9-60H2,1-8H3",C69H132O8,,,,,,MQKQEJQNRSFRLA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.654,262-339-2,60642-66-2,2-mercaptoethyl laurate,2-sulfanylethyl laurate,CCCCCCCCCCCC(=O)OCCS,CCCCCCCCCCCC(=O)OCCS,"InChI=1/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-14(15)16-12-13-17/h17H,2-13H2,1H3",C14H28O2S,,,,,,DRMQGFINKBLFMY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.655,262-340-8,60642-67-3,Bis(2-mercaptoethyl) succinate,bis(2-sulfanylethyl) succinate,SCCOC(=O)CCC(=O)OCCS,SCCOC(=O)CCC(=O)OCCS,"InChI=1/C8H14O4S2/c9-7(11-3-5-13)1-2-8(10)12-4-6-14/h13-14H,1-6H2",C8H14O4S2,,,,,,KHPRKIZSQDCBGN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.658,262-343-4,60643-20-1,1-L-alanyl-D-proline,L-alanyl-D-proline,C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)O,C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)O,"InChI=1/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)",C8H14N2O3,,,,,,WPWUFUBLGADILS-NTSWFWBYSA-N,,,,,,,,,,,
100.058.504,264-373-3,63629-87-8,1-(morpholinecarbonyl)pyridinium chloride,1-(morpholin-2-ylcarbonyl)pyridinium chloride,[Cl-].O=C(C1CNCCO1)[n+]2ccccc2,[Cl-].O=C(C1CNCCO1)[n+]2ccccc2,"InChI=1/C10H13N2O2.ClH/c13-10(9-8-11-4-7-14-9)12-5-2-1-3-6-12;/h1-3,5-6,9,11H,4,7-8H2;1H/q+1;/p-1",C10H13N2O2.Cl,,,,,,WWYMEJKXTHXZHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.517,264-388-5,63661-61-0,"1-tert-butyl-4,4-diphenylpiperidinium chloride","1-tert-butyl-4,4-diphenylpiperidinium chloride",[Cl-].CC(C)(C)[NH+]1CCC(CC1)(c2ccccc2)c3ccccc3,[Cl-].CC(C)(C)[NH+]1CCC(CC1)(c2ccccc2)c3ccccc3,"InChI=1/C21H27N.ClH/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13H,14-17H2,1-3H3;1H",C21H27N.ClH,,,,,,USUUKNCFNKZGEY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.528,264-400-9,63666-07-9,"N-methyl-N'-(2,4,6-trinitrophenyl)benzene-1,2-diamine","N-methyl-N'-(2,4,6-trinitrophenyl)benzene-1,2-diamine",CNc1ccccc1Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CNc1ccccc1Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C13H11N5O6/c1-14-9-4-2-3-5-10(9)15-13-11(17(21)22)6-8(16(19)20)7-12(13)18(23)24/h2-7,14-15H,1H3",C13H11N5O6,,,,,,WGXBBJVLCHXIPU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.531,264-404-0,63670-07-5,Cerium(3+) silicate(3:4),cerium(3+) silicate(3:4),[Ce+3].[Ce+3].[Ce+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Ce+3].[Ce+3].[Ce+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/3Ce.4O3Si/c;;;4*1-4(2)3/q3*+3;4*-2,Ce.3/4H4O4Si,,,,,,JMALSMSXBJDYEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.361,241-113-7,17044-70-1,"1-(3,5-dichloro-4-hydroxyphenyl)ethan-1-one","1-(3,5-dichloro-4-hydroxyphenyl)ethanone",CC(=O)c1cc(Cl)c(O)c(Cl)c1,CC(=O)c1cc(Cl)c(O)c(Cl)c1,"InChI=1/C8H6Cl2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3",C8H6Cl2O2,,,,,,FXSIZYWHUQEXPC-UHFFFAOYSA-N,,,,,,,,,,,
100.037.367,241-120-5,17057-88-4,"3,5-dimethyl-1,1'-biphenyl","3,5-dimethylbiphenyl",Cc1cc(C)cc(c1)c2ccccc2,Cc1cc(C)cc(c1)c2ccccc2,"InChI=1/C14H14/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13/h3-10H,1-2H3",C14H14,,,,,,QUHIUAFQBFDMIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.368,241-121-0,17057-91-9,"1,3,8-trimethylnaphthalene","1,3,8-trimethylnaphthalene",Cc1cc(C)c2c(C)cccc2c1,Cc1cc(C)c2c(C)cccc2c1,"InChI=1/C13H14/c1-9-7-11(3)13-10(2)5-4-6-12(13)8-9/h4-8H,1-3H3",C13H14,,,,,,XYTKCJHHXQVFCK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.369,241-122-6,17059-51-7,6-methylbenzofuran,6-methyl-1-benzofuran,Cc1ccc2ccoc2c1,Cc1ccc2ccoc2c1,"InChI=1/C9H8O/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6H,1H3",C9H8O,,,,,,QVPSBOGQLOSHJR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.370,241-123-1,17059-52-8,7-methylbenzofuran,7-methyl-1-benzofuran,Cc1cccc2ccoc12,Cc1cccc2ccoc12,"InChI=1/C9H8O/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6H,1H3",C9H8O,,,,,,PHQXPPBIJBCIMI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.128,236-456-4,13380-90-0,"Octahydro-5-vinyl-4,7-methano-1H-inden-5-ol","5-vinyloctahydro-1H-4,7-methanoinden-5-ol",OC1(CC2CC1C3CCCC23)C=C,OC1(CC2CC1C3CCCC23)C=C,"InChI=1/C12H18O/c1-2-12(13)7-8-6-11(12)10-5-3-4-9(8)10/h2,8-11,13H,1,3-7H2",C12H18O,,,,,,KDPQOUYYMLJCMF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.130,236-459-0,13383-63-6,"1-(2,4,6-trihydroxy-3,5-dimethylphenyl)ethan-1-one","1-(2,4,6-trihydroxy-3,5-dimethylphenyl)ethanone",CC(=O)c1c(O)c(C)c(O)c(C)c1O,CC(=O)c1c(O)c(C)c(O)c(C)c1O,"InChI=1/C10H12O4/c1-4-8(12)5(2)10(14)7(6(3)11)9(4)13/h12-14H,1-3H3",C10H12O4,,,,,,GIMGGNBXMNVHHR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.133,236-462-7,13386-60-2,2-(N-ethyl-p-toluidino)ethanol,2-[ethyl(4-methylphenyl)amino]ethanol,CCN(CCO)c1ccc(C)cc1,CCN(CCO)c1ccc(C)cc1,"InChI=1/C11H17NO/c1-3-12(8-9-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3",C11H17NO,,,,,,WULPPMCTKHSRAO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.135,236-464-8,13390-46-0,"Disodium 3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-5-[(phenylsulphonyl)amino]naphthalene-2,7-disulphonate","disodium 3-[(4-acetamidophenyl)diazenyl]-4-hydroxy-5-[(phenylsulfonyl)amino]naphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc4c(cc3cc(cc(NS(=O)(=O)c2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc4c(cc3cc(cc(NS(=O)(=O)c2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C24H20N4O10S3.2Na/c1-14(29)25-16-7-9-17(10-8-16)26-27-23-21(41(36,37)38)12-15-11-19(40(33,34)35)13-20(22(15)24(23)30)28-39(31,32)18-5-3-2-4-6-18;;/h2-13,28,30H,1H3,(H,25,29)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C24H20N4O10S3.2Na,,,,,,CLUCWDAGPIWTPZ-UHFFFAOYSA-L,,,,,,,,,,,
100.054.685,260-173-5,56426-15-4,N-(4-aminophenyl)aniline hydrochloride,"N-phenylbenzene-1,4-diamine hydrochloride",Cl.Nc1ccc(Nc2ccccc2)cc1,Cl.Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C12H12N2.ClH/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;/h1-9,14H,13H2;1H",C12H12N2.xClH,,,,,,PNEVDCGZQWFIKV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.688,260-176-1,56430-99-0,Flumecinol,1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol,CCC(O)(c1ccccc1)c2cccc(c2)C(F)(F)F,CCC(O)(c1ccccc1)c2cccc(c2)C(F)(F)F,"InChI=1/C16H15F3O/c1-2-15(20,12-7-4-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h3-11,20H,2H2,1H3",C16H15F3O,,,,,,DVASNQYQOZHAJN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.689,260-177-7,56431-19-7,"a-ethyl-2,5-dimethylbenzhydryl alcohol","1-(2,5-dimethylphenyl)-1-phenylpropan-1-ol",CCC(O)(c1ccccc1)c2cc(C)ccc2C,CCC(O)(c1ccccc1)c2cc(C)ccc2C,"InChI=1/C17H20O/c1-4-17(18,15-8-6-5-7-9-15)16-12-13(2)10-11-14(16)3/h5-12,18H,4H2,1-3H3",C17H20O,,,,,,JQFJSZYEXCMIHI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.693,260-181-9,56435-16-6,Isoicosyl acetate,18-methylnonadecyl acetate,CC(C)CCCCCCCCCCCCCCCCCOC(=O)C,CC(C)CCCCCCCCCCCCCCCCCOC(=O)C,"InChI=1/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-24-22(3)23/h21H,4-20H2,1-3H3",C22H44O2,,,,,,FSRZXNXPOCVACJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.701,260-190-8,56453-22-6,4-O-ß-D-galactopyranosyl-D-glucitol monopalmitate,4-O-beta-D-galactopyranosyl-1-O-palmitoyl-D-glucitol,CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1/C28H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(33)38-18-20(32)23(34)27(19(31)16-29)40-28-26(37)25(36)24(35)21(17-30)39-28/h19-21,23-32,34-37H,2-18H2,1H3",C28H54O12,,,,,,QDHVAJSLNZWMPL-RHWSCGTFSA-N,,,,,,,,,,,
100.054.703,260-192-9,56456-50-9,2-chloro-6-fluorobenzylic alcohol,(2-chloro-6-fluorophenyl)methanol,OCc1c(F)cccc1Cl,OCc1c(F)cccc1Cl,"InChI=1/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2",C7H6ClFO,,,,,,ZZFCUESFXBCRSC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.705,260-195-5,56469-15-9,"cis-(±)-3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one","3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one",CCCCCCC(C)(C)c1cc(O)c2C3CC(=O)CCC3C(C)(C)Oc2c1,CCCCCCC(C)(C)c1cc(O)c2C3CC(=O)CCC3C(C)(C)Oc2c1,"InChI=1/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3",C24H36O3,,,,,,GECBBEABIDMGGL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.988,262-707-2,61315-59-1,"N-[(tert-butoxy)carbonyl]-D-methionine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-D-methionine - N-cyclohexylcyclohexanamine (1:1),CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C10H19NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h11-13H,1-10H2;7H,5-6H2,1-4H3,(H,11,14)(H,12,13)",C12H23N.C10H19NO4S,,,,,,SKDIPRMGDVUUQO-HMZWWLAASA-N,,,,,,,,,,,
100.056.994,262-714-0,61337-87-9,"(S)-1,2,3,4,10,14b-hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepine","2-methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine",CN1CCN2[C@H](C1)c3ccccc3Cc4cccnc24,CN1CCN2[C@H](C1)c3ccccc3Cc4cccnc24,"InChI=1/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3",C17H19N3,,,,,,RONZAEMNMFQXRA-MRXNPFEDSA-N,,,,,,,,,,,
100.056.996,262-716-1,61339-36-4,"17-bromo-9-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione","17-bromo-9-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(Br)C(=O)CO,"InChI=1/C22H28BrFO4/c1-12-8-16-15-5-4-13-9-14(26)6-7-19(13,2)22(15,24)17(27)10-20(16,3)21(12,23)18(28)11-25/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3",C22H28BrFO4,,,,,,LLWCKVNBDQSREZ-CXSFZGCWSA-N,,,,,,,,,,,
100.058.630,264-512-8,63843-83-4,1-benzyl-4-phenylpiperidin-4-ol,1-benzyl-4-phenylpiperidin-4-ol,OC1(CCN(Cc2ccccc2)CC1)c3ccccc3,OC1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C18H21NO/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2",C18H21NO,,,,,,FCLMXEAPEVBCKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.631,264-513-3,63843-89-0,"Bis(1,2,2,6,6-pentamethyl-4-piperidyl) [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butylmalonate","bis(1,2,2,6,6-pentamethylpiperidin-4-yl) butyl(3,5-di-tert-butyl-4-hydroxybenzyl)malonate",CCCCC(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC3CC(C)(C)N(C)C(C)(C)C3,CCCCC(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC3CC(C)(C)N(C)C(C)(C)C3,"InChI=1/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3",C42H72N2O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15782,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.631,FLPKSBDJMLUTEX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.636,264-519-6,63868-75-7,"2,3-dihydrophthalazine-1,4-dione dihydrazone monohydrochloride","1,4-bis(hydrazono)-1,2,3,4-tetrahydrophthalazine hydrochloride",Cl.NN=C1NNC(=NN)c2ccccc12,Cl.NN=C1NNC(=NN)c2ccccc12,"InChI=1/C8H10N6.ClH/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;/h1-4H,9-10H2,(H,11,13)(H,12,14);1H",C8H10N6.ClH,,,,,,IKVCCOSAYBITFB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.539,266-613-2,67228-83-5,"(Z)-N-(3-aminopropyl)-N'-[3-(9-octadecenylamino)propyl]propane-1,3-diamine","N-(3-aminopropyl)-N'-[3-(octadec-9-en-1-ylamino)propyl]propane-1,3-diamine",CCCCCCCC\\C=C/CCCCCCCCNCCCNCCCNCCCN,CCCCCCCC\C=C/CCCCCCCCNCCCNCCCNCCCN,"InChI=1/C27H58N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-24-19-26-31-27-20-25-30-23-18-21-28/h9-10,29-31H,2-8,11-28H2,1H3",C27H58N4,,,,,,XWNMFDCGCAFWHB-KTKRTIGZSA-N,,,,,,,,,,,
100.060.542,266-616-9,67242-59-5,N-methyl-N-(pyridine-2-yl)formamide,N-methyl-N-pyridin-2-ylformamide,CN(C=O)c1ccccn1,CN(C=O)c1ccccn1,"InChI=1/C7H8N2O/c1-9(6-10)7-4-2-3-5-8-7/h2-6H,1H3",C7H8N2O,,,,,,DIRVEOCOAHGVJV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.551,266-626-3,67271-66-3,2-chloroacetoacetamide,4-chloro-3-oxobutanamide,NC(=O)CC(=O)CCl,NC(=O)CC(=O)CCl,"InChI=1/C4H6ClNO2/c5-2-3(7)1-4(6)8/h1-2H2,(H2,6,8)",C4H6ClNO2,,,,,,VCPNLOMAQUZMBY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.552,266-627-9,67273-43-2,2-(5-ethyl-2-pyridinyl)-1H-benzimidazole,2-(5-ethylpyridin-2-yl)-1H-benzimidazole,CCc1ccc(nc1)c2nc3ccccc3[nH]2,CCc1ccc(nc1)c2nc3ccccc3[nH]2,"InChI=1/C14H13N3/c1-2-10-7-8-13(15-9-10)14-16-11-5-3-4-6-12(11)17-14/h3-9H,2H2,1H3,(H,16,17)",C14H13N3,,,,,,XOVPZXXZORJJCG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.562,266-638-9,67305-72-0,N-(2-mercaptoethyl)propionamide,N-(2-sulfanylethyl)propanamide,CCC(=O)NCCS,CCC(=O)NCCS,"InChI=1/C5H11NOS/c1-2-5(7)6-3-4-8/h8H,2-4H2,1H3,(H,6,7)",C5H11NOS,,,,,,WNZWVZCUFRJIBG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.563,266-639-4,67306-03-0,"4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine","4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine",CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C,CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C,"InChI=1/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3",C20H33NO,,,,,,RYAUSSKQMZRMAI-UHFFFAOYSA-N,Positive,UF402301|UF402302|UF402303|UF402304,[M+H]+,HCD55|HCD80|CID35|CID55,147.1168:304.2637:130.1227|147.1168:132.0933:119.0855|304.2637:130.1226:147.1168|130.1226:147.1167:116.1069,UFZ,,,,,
100.060.565,266-642-0,67326-79-8,"2-[[4-[(2,3-dimethoxypropyl)ethylamino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride","2-({4-[(2,3-dimethoxypropyl)(ethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chloride",[Cl-].COCC(OC)CN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[Cl-].COCC(OC)CN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C22H29N4O3S.ClH/c1-6-26(14-19(29-5)15-27-3)17-9-7-16(8-10-17)23-24-22-25(2)20-12-11-18(28-4)13-21(20)30-22;/h7-13,19H,6,14-15H2,1-5H3;1H/q+1;/p-1",C22H29N4O3S.Cl,,,,,,MRPABYXFRYAUII-UHFFFAOYSA-M,,,,,,,,,,,
100.033.182,236-515-4,13417-49-7,"5,6-dihydro-2H-pyran-3-carbaldehyde","5,6-dihydro-2H-pyran-3-carbaldehyde",O=CC1=CCCOC1,O=CC1=CCCOC1,"InChI=1/C6H8O2/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2",C6H8O2,,,,,,RKXCKEHBMLDWET-UHFFFAOYSA-N,,,,,,,,,,,
100.033.183,236-517-5,13418-35-4,N-(4-chloro-o-tolyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide,N-(4-chloro-2-methylphenyl)-2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanamide,Clc2cc(C)c(NC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(C)=O)cc2,Clc2cc(C)c(NC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(C)=O)cc2,"InChI=1/C18H17ClN4O4/c1-10-4-6-15(16(8-10)23(26)27)21-22-17(12(3)24)18(25)20-14-7-5-13(19)9-11(14)2/h4-9,17H,1-3H3,(H,20,25)",C18H17ClN4O4,,,,,,YKGFGBOGVZQVNV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.727,260-218-9,56487-95-7,Perfluoromethyl methacrylate,trifluoromethyl methacrylate,CC(=C)C(=O)OC(F)(F)F,CC(=C)C(=O)OC(F)(F)F,"InChI=1/C5H5F3O2/c1-3(2)4(9)10-5(6,7)8/h1H2,2H3",C5H5F3O2,,,,,,AFFZTFNQQHNSEG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.734,260-226-2,56503-39-0,Ethyl (E)-cyano(hydroxyimino)acetate,ethyl cyano(hydroxyimino)acetate,CCOC(=O)\\C(=N\\O)\\C#N,CCOC(=O)\C(=N\O)\C#N,"InChI=1/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3",C5H6N2O3,,,,,,LCFXLZAXGXOXAP-QPJJXVBHSA-N,,,,,,,,,,,
100.054.737,260-229-9,56505-03-4,"3-[(3,7-dimethyl-2,6-octadienyl)oxy]propiononitrile","3-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]propanenitrile",C\\C(C)=C\\CCC(C)=CCOCCC#N,C\C(C)=C\CCC(C)=CCOCCC#N,"InChI=1/C13H21NO/c1-12(2)6-4-7-13(3)8-11-15-10-5-9-14/h6,8H,4-5,7,10-11H2,1-3H3",C13H21NO,,,,,,LHHLNYVTCLDRMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.738,260-230-4,56507-10-9,Zinc bis[butylbenzoate],zinc bis(2-butylbenzoate),[Zn+2].CCCCc1ccccc1C(=O)[O-].CCCCc2ccccc2C(=O)[O-],[Zn+2].CCCCc1ccccc1C(=O)[O-].CCCCc2ccccc2C(=O)[O-],"InChI=1/2C11H14O2.Zn/c2*1-2-3-6-9-7-4-5-8-10(9)11(12)13;/h2*4-5,7-8H,2-3,6H2,1H3,(H,12,13);/q;;+2/p-2",C11H14O2.1/2Zn,,,,,,YCJZPPOCCOJUGU-UHFFFAOYSA-L,,,,,,,,,,,
100.054.742,260-235-1,56512-49-3,p-[[4-(dimethylamino)phenyl]azo]benzenesulphonyl chloride,4-{[4-(dimethylamino)phenyl]diazenyl}benzenesulfonyl chloride,CN(C)c2ccc(N=Nc1ccc(cc1)S(Cl)(=O)=O)cc2,CN(C)c2ccc(N=Nc1ccc(cc1)S(Cl)(=O)=O)cc2,"InChI=1/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3",C14H14ClN3O2S,,,,,,VTVWTPGLLAELLI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.743,260-236-7,56518-39-9,"3-(4-bromo-3,5-dimethoxyphenyl)-2-(methoxymethyl)acrylonitrile","3-(4-bromo-3,5-dimethoxyphenyl)-2-(methoxymethyl)acrylonitrile",COC\\C(=C/c1cc(OC)c(Br)c(OC)c1)\\C#N,COC\C(=C/c1cc(OC)c(Br)c(OC)c1)\C#N,"InChI=1/C13H14BrNO3/c1-16-8-10(7-15)4-9-5-11(17-2)13(14)12(6-9)18-3/h4-6H,8H2,1-3H3",C13H14BrNO3,,,,,,FZVLRBPIBXTWKY-WMZJFQQLSA-N,,,,,,,,,,,
100.054.746,260-239-3,56520-98-0,4-ethyl-2-nitrophenol,4-ethyl-2-nitrophenol,CCc1ccc(O)c(c1)[N+](=O)[O-],CCc1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C8H9NO3/c1-2-6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3",C8H9NO3,,,,,,NKWRRUKHBWTRPY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.748,260-241-4,56524-76-6,"1,8-dihydroxy-4,5-bis(methylamino)anthraquinone","1,8-dihydroxy-4,5-bis(methylamino)-9,10-anthraquinone",CNc1ccc(O)c2C(=O)c3c(O)ccc(NC)c3C(=O)c12,CNc1ccc(O)c2C(=O)c3c(O)ccc(NC)c3C(=O)c12,"InChI=1/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18-2)4-6-10(20)14(12)16(13)22/h3-6,17-20H,1-2H3",C16H14N2O4,,,,,,GCAWNTQAMNBDAY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.875,260-382-1,56782-52-6,Ethyl L-isoleucinate hydrochloride,ethyl L-isoleucinate hydrochloride,Cl.CCOC(=O)[C@@H](N)C(C)CC,Cl.CCOC(=O)[C@@H](N)C(C)CC,"InChI=1/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H",C8H17NO2.ClH,,,,,,QQGRWNMNWONMOO-JWOPXBRZSA-N,,,,,,,,,,,
100.054.881,260-388-4,56799-32-7,"1,4-bis(dimethylamino)anthraquinone","1,4-bis(dimethylamino)-9,10-anthraquinone",CN(C)c1ccc(N(C)C)c2C(=O)c3ccccc3C(=O)c12,CN(C)c1ccc(N(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H18N2O2/c1-19(2)13-9-10-14(20(3)4)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10H,1-4H3",C18H18N2O2,,,,,,OZMLRWPLFYWTPG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.887,260-395-2,56824-22-7,2-(2-chloroethyl)-1-methylpyrrolidine hydrochloride,2-(2-chloroethyl)-1-methylpyrrolidine hydrochloride,Cl.CN1CCCC1CCCl,Cl.CN1CCCC1CCCl,"InChI=1/C7H14ClN.ClH/c1-9-6-2-3-7(9)4-5-8;/h7H,2-6H2,1H3;1H",C7H14ClN.ClH,,,,,,KCQMALZNENFGKK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.888,260-396-8,56831-62-0,"1-Tridecanol, phosphate",tridecyl phosphate,CCCCCCCCCCCCCOP(=O)([O-])[O-],CCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C13H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H2,14,15,16)/p-2",-,,,,,,GAJQCIFYLSXSEZ-UHFFFAOYSA-L,,,,,,,,,,,
100.054.890,260-398-9,56836-93-2,3-methyl-4-phenylbutan-2-ol,3-methyl-4-phenylbutan-2-ol,CC(O)C(C)Cc1ccccc1,CC(O)C(C)Cc1ccccc1,"InChI=1/C11H16O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3",C11H16O,,,,,,VSIXJPFQJMODCS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.892,260-400-8,56841-48-6,Magnesium dithiobis(salicylate),"magnesium 2,2'-[disulfanediylbis(oxy)]dibenzoate",[Mg+2].[O-]C(=O)c2ccccc2OSSOc1ccccc1C([O-])=O,[Mg+2].[O-]C(=O)c2ccccc2OSSOc1ccccc1C([O-])=O,"InChI=1/C14H10O6S2.Mg/c15-13(16)9-5-1-3-7-11(9)19-21-22-20-12-8-4-2-6-10(12)14(17)18;/h1-8H,(H,15,16)(H,17,18);/q;+2/p-2",C14H10O6S2.Mg,,,,,,NFVNOBZFVCIKRG-UHFFFAOYSA-L,,,,,,,,,,,
100.058.533,264-406-1,63674-12-4,"N,N'-bis(benzyl)ethylenediamine hydrochloride","N,N'-dibenzylethane-1,2-diamine hydrochloride",Cl.C(CNCc1ccccc1)NCc2ccccc2,Cl.C(CNCc1ccccc1)NCc2ccccc2,"InChI=1/C16H20N2.ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;/h1-10,17-18H,11-14H2;1H",C16H20N2.xClH,,,,,,GGEOPBCYUOTKQX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.832,251-531-1,33466-31-8,"Dodecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate","dodecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dien-1-oate",CCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCC,"InChI=1/2C16H28O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;2*1-3-4-2;/h2*12-13H,2-11,14H2,1H3,(H,17,18);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC40H72O8Sn/c1-5-9-13-15-17-19-21-23-25-27-33-45-37(41)29-31-39(43)47-49(35-11-7-3,36-12-8-4)48-40(44)32-30-38(42)46-34-28-26-24-22-20-18-16-14-10-6-2/h29-32H,5-28,33-36H2,1-4H3",C40H72O8Sn,,,,,,IPEIQLRNAOQYPJ-NUJFUEHTSA-L,,,,,,,,,,,
100.046.835,251-534-8,33467-76-4,(E)-hept-2-en-1-ol,hept-2-en-1-ol,CCCC\\C=C\\CO,CCCC\C=C\CO,"InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3",C7H14O,,,,,,ASFYPVGAALGVNR-AATRIKPKSA-N,,,,,,,,,,,
100.046.842,251-542-1,33488-70-9,Sodium octyl phosphonate,sodium octyl phosphonate,[Na+].CCCCCCCCOP(=O)[O-],[Na+].CCCCCCCCOP(=O)[O-],"InChI=1/C8H19O3P.Na/c1-2-3-4-5-6-7-8-11-12(9)10;/h12H,2-8H2,1H3,(H,9,10);/q;+1/p-1",C8H19O3P.Na,,,,,,CVKULYPOIZWROL-UHFFFAOYSA-M,,,,,,,,,,,
100.046.844,251-544-2,33499-42-2,"Ethyl 2,4-dimethylbenzoate","ethyl 2,4-dimethylbenzoate",CCOC(=O)c1ccc(C)cc1C,CCOC(=O)c1ccc(C)cc1C,"InChI=1/C11H14O2/c1-4-13-11(12)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3",C11H14O2,,,,,,RJYPOWRKMKNFHH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.848,251-548-4,33509-43-2,"4-amino-6-tert-butyl-3-mercapto-1,2,4-triazin-5(4H)-one","4-amino-6-tert-butyl-3-sulfanyl-1,2,4-triazin-5(4H)-one",CC(C)(C)C1=NN=C(S)N(N)C1=O,CC(C)(C)C1=NN=C(S)N(N)C1=O,"InChI=1/C7H12N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13)",C7H12N4OS,,,,,,OFKAVNQBCRJBJE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.854,251-555-2,33515-38-7,N-benzoyl-3-hydroxy-L-tyrosine,N-benzoyl-3-hydroxytyrosine,OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c2ccccc2,OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c2ccccc2,"InChI=1/C16H15NO5/c18-13-7-6-10(9-14(13)19)8-12(16(21)22)17-15(20)11-4-2-1-3-5-11/h1-7,9,12,18-19H,8H2,(H,17,20)(H,21,22)",C16H15NO5,,,,,,WGTPJOPXQRPTDE-LBPRGKRZSA-N,,,,,,,,,,,
100.046.855,251-556-8,33516-09-5,"Bis[isopropyloctadecyldithiocarbamato-S,S']zinc",zinc bis[isopropyl(octadecyl)dithiocarbamate],CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)S[Zn]SC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C,CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)S[Zn]SC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C,"InChI=1/2C22H45NS2.Zn/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(21(2)3)22(24)25;/h2*21H,4-20H2,1-3H3,(H,24,25);/q;;+2/p-2/rC44H88N2S4Zn/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45(41(3)4)43(47)49-51-50-44(48)46(42(5)6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42H,7-40H2,1-6H3",C44H88N2S4Zn,,,,,,XIRMSEKPPCLFNS-UHFFFAOYSA-L,,,,,,,,,,,
100.046.860,251-562-0,33524-31-1,"2,5-dimethoxybenzyl alcohol","(2,5-dimethoxyphenyl)methanol",COc1ccc(OC)c(CO)c1,COc1ccc(OC)c(CO)c1,"InChI=1/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3",C9H12O3,,,,,,WGQMUABRZGUAOS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.866,251-568-3,33538-71-5,"Venturicidin B, 3'-carbamate","1-hydroxy-5-(4-hydroxy-1,3,5-trimethyl-6-oxooctyl)-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl 3-O-carbamoyl-2,6-dideoxyhexopyranoside",CCC(=O)C(C)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(=CCCCC(OC3CC(OC(=O)N)C(O)C(C)O3)C=CC(C)CC1C)C,CCC(=O)C(C)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(=CCCCC(OC3CC(OC(=O)N)C(O)C(C)O3)C=CC(C)CC1C)C,"InChI=1/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)",C41H67NO11,,,,,,HHQKNFDAEDTRJK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.868,251-570-4,33543-62-3,m-methoxy-N-methylphenethylamine,2-(3-methoxyphenyl)-N-methylethanamine,CNCCc1cccc(OC)c1,CNCCc1cccc(OC)c1,"InChI=1/C10H15NO/c1-11-7-6-9-4-3-5-10(8-9)12-2/h3-5,8,11H,6-7H2,1-2H3",C10H15NO,,,,,,MCGDBHZRFQKLBT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.964,265-980-6,65916-14-5,N-[4-methoxy-3-[(1-methylpentyl)amino]phenyl]acetamide,N-{4-methoxy-3-[(1-methylpentyl)amino]phenyl}acetamide,CCCCC(C)Nc1cc(NC(=O)C)ccc1OC,CCCCC(C)Nc1cc(NC(=O)C)ccc1OC,"InChI=1/C15H24N2O2/c1-5-6-7-11(2)16-14-10-13(17-12(3)18)8-9-15(14)19-4/h8-11,16H,5-7H2,1-4H3,(H,17,18)",C15H24N2O2,,,,,,KDVBCMHDPJCRBL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.966,265-982-7,65925-28-2,"1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene","1-[2-(2-chloroethoxy)ethoxy]-4-(1,1,3,3-tetramethylbutyl)benzene",CC(C)(C)CC(C)(C)c1ccc(OCCOCCCl)cc1,CC(C)(C)CC(C)(C)c1ccc(OCCOCCCl)cc1,"InChI=1/C18H29ClO2/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9H,10-14H2,1-5H3",C18H29ClO2,,,,,,FITQCDWGUKECBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.709,260-199-7,56471-38-6,N-ethyl-1-isopropylcycloheptanecarboxamide,N-ethyl-1-isopropylcycloheptanecarboxamide,CCNC(=O)C1(CCCCCC1)C(C)C,CCNC(=O)C1(CCCCCC1)C(C)C,"InChI=1/C13H25NO/c1-4-14-12(15)13(11(2)3)9-7-5-6-8-10-13/h11H,4-10H2,1-3H3,(H,14,15)",C13H25NO,,,,,,SIXMZXVQNHSLMO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.715,260-205-8,56471-44-4,N-tert-butyl-2-isopropylcycloheptanecarboxamide,N-tert-butyl-2-isopropylcycloheptanecarboxamide,CC(C)C1CCCCCC1C(=O)NC(C)(C)C,CC(C)C1CCCCCC1C(=O)NC(C)(C)C,"InChI=1/C15H29NO/c1-11(2)12-9-7-6-8-10-13(12)14(17)16-15(3,4)5/h11-13H,6-10H2,1-5H3,(H,16,17)",C15H29NO,,,,,,XUHIEWKUIPNAQF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.716,260-206-3,56471-45-5,Ethyl N-(2-isopropylcycloheptanecarbonyl)glycinate,ethyl N-[(2-isopropylcycloheptyl)carbonyl]glycinate,CCOC(=O)CNC(=O)C1CCCCCC1C(C)C,CCOC(=O)CNC(=O)C1CCCCCC1C(C)C,"InChI=1/C15H27NO3/c1-4-19-14(17)10-16-15(18)13-9-7-5-6-8-12(13)11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18)",C15H27NO3,,,,,,FOLFMQFDEHZBRV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.717,260-207-9,56471-46-6,N-ethyl-1-isopropyl-2-methylcycloheptanecarboxamide,N-ethyl-1-isopropyl-2-methylcycloheptanecarboxamide,CCNC(=O)C1(CCCCCC1C)C(C)C,CCNC(=O)C1(CCCCCC1C)C(C)C,"InChI=1/C14H27NO/c1-5-15-13(16)14(11(2)3)10-8-6-7-9-12(14)4/h11-12H,5-10H2,1-4H3,(H,15,16)",C14H27NO,,,,,,UVRKUXJUOHSYTP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.719,260-210-5,56471-48-8,Ethyl N-(1-isopropyl-2-methylcycloheptanecarbonyl)glycinate,ethyl N-[(1-isopropyl-2-methylcycloheptyl)carbonyl]glycinate,CCOC(=O)CNC(=O)C1(CCCCCC1C)C(C)C,CCOC(=O)CNC(=O)C1(CCCCCC1C)C(C)C,"InChI=1/C16H29NO3/c1-5-20-14(18)11-17-15(19)16(12(2)3)10-8-6-7-9-13(16)4/h12-13H,5-11H2,1-4H3,(H,17,19)",C16H29NO3,,,,,,IMFCJDMCTVMSKP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.720,260-211-0,56471-69-3,1-(isopropyl)-N-(4-methoxy-2-methylphenyl)cycloheptanecarboxamide,1-isopropyl-N-(4-methoxy-2-methylphenyl)cycloheptanecarboxamide,COc1ccc(NC(=O)C2(CCCCCC2)C(C)C)c(C)c1,COc1ccc(NC(=O)C2(CCCCCC2)C(C)C)c(C)c1,"InChI=1/C19H29NO2/c1-14(2)19(11-7-5-6-8-12-19)18(21)20-17-10-9-16(22-4)13-15(17)3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,20,21)",C19H29NO2,,,,,,YSCNEKGZQWJYEE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.721,260-212-6,56471-70-6,N-cyclopentyl-1-isopropylcycloheptanecarboxamide,N-cyclopentyl-1-isopropylcycloheptanecarboxamide,CC(C)C1(CCCCCC1)C(=O)NC2CCCC2,CC(C)C1(CCCCCC1)C(=O)NC2CCCC2,"InChI=1/C16H29NO/c1-13(2)16(11-7-3-4-8-12-16)15(18)17-14-9-5-6-10-14/h13-14H,3-12H2,1-2H3,(H,17,18)",C16H29NO,,,,,,NUTMIYRXXQBCST-UHFFFAOYSA-N,,,,,,,,,,,
100.036.503,240-171-0,16029-98-4,Iodotrimethylsilane,iodo(trimethyl)silane,C[Si](C)(C)I,C[Si](C)(C)I,"InChI=1/C3H9ISi/c1-5(2,3)4/h1-3H3",C3H9ISi,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7508,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.503,CSRZQMIRAZTJOY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.508,240-176-8,16038-76-9,Lead phosphite,lead phosphite,[Pb].OP(O)O,[Pb].OP(O)O,InChI=1/H3O3P.Pb.2H/c1-4(2)3;;;/h1-3H;;;/q;+4;;/rH3O3P.H2Pb/c1-4(2)3;/h1-3H;1H2/q;+4,H3O3P.xPb,,,,,,UMKARVFXJJITLN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.515,240-184-1,16042-21-0,2-methyl-2-(methylthio)propionaldehyde,2-methyl-2-(methylsulfanyl)propanal,CSC(C)(C)C=O,CSC(C)(C)C=O,"InChI=1/C5H10OS/c1-5(2,4-6)7-3/h4H,1-3H3",C5H10OS,,,,,,DIPLXSBTYRDLGV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.518,240-187-8,16045-78-6,"1,3-dimethyl-1,1,3,3-tetravinyldisiloxane","1,3-dimethyl-1,1,3,3-tetravinyldisiloxane",C[Si](O[Si](C)(C=C)C=C)(C=C)C=C,C[Si](O[Si](C)(C=C)C=C)(C=C)C=C,"InChI=1/C10H18OSi2/c1-7-12(5,8-2)11-13(6,9-3)10-4/h7-10H,1-4H2,5-6H3",C10H18OSi2,,,,,,BKPKTOIGWIYKJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.522,240-192-5,16048-37-6,"9,10-dioxoanthracene-1-diazonium chloride","9,10-dioxo-9,10-dihydroanthracene-1-diazonium chloride",[Cl-].O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,[Cl-].O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,InChI=1/C14H7N2O2.ClH/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;/h1-7H;1H/q+1;/p-1,C14H7N2O2.Cl,,,,,,QAJMZRMIUJJTBN-UHFFFAOYSA-M,,,,,,,,,,,
100.036.523,240-193-0,16048-40-1,"9,10-dihydro-9,10-dioxoanthracenediazonium","9,10-dioxo-9,10-dihydroanthracene-1-diazonium",O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,InChI=1/C14H7N2O2/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17/h1-7H/q+1,C14H7N2O2,,,,,,AYWYBCRYWKVVBR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.524,240-194-6,16048-96-7,Copper disalicylate,copper(2+) bis(2-hydroxybenzoate),[Cu+2].O=C([O-])C=1/C=C\\C=C/C=1O.[O-]C(=O)c1ccccc1O,[Cu+2].O=C([O-])C=1/C=C\C=C/C=1O.[O-]C(=O)c1ccccc1O,"InChI=1/2C7H6O3.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C14H10CuO6,,,,,,CMRVDFLZXRTMTH-UHFFFAOYSA-L,,,,,,,,,,,
100.036.534,240-204-9,16056-77-2,Gadolinium(3+) acetate,gadolinium triacetate,[Gd+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Gd+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Gd/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Gd,,,,,,LYQGMALGKYWNIU-UHFFFAOYSA-K,,,,,,,,,,,
100.036.536,240-207-5,16063-80-2,"(±)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid","4,4,4,4',4',4'-hexafluorovaline",NC(C(C(F)(F)F)C(F)(F)F)C(=O)O,NC(C(C(F)(F)F)C(F)(F)F)C(=O)O,"InChI=1/C5H5F6NO2/c6-4(7,8)2(5(9,10)11)1(12)3(13)14/h1-2H,12H2,(H,13,14)",C5H5F6NO2,,,,,,KRNSHCKTGFAMPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.570,266-647-8,67338-58-3,N-[3-[[2-(2-ethoxyethoxy)ethyl]ethylamino]phenyl]acetamide,N-(3-{[2-(2-ethoxyethoxy)ethyl](ethyl)amino}phenyl)acetamide,CCOCCOCCN(CC)c1cccc(NC(=O)C)c1,CCOCCOCCN(CC)c1cccc(NC(=O)C)c1,"InChI=1/C16H26N2O3/c1-4-18(9-10-21-12-11-20-5-2)16-8-6-7-15(13-16)17-14(3)19/h6-8,13H,4-5,9-12H2,1-3H3,(H,17,19)",C16H26N2O3,,,,,,BKGDSUKTWCDLGU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.572,266-649-9,67338-60-7,5-amino-1-hydroxy-2-naphthoic acid,5-amino-1-hydroxy-2-naphthoic acid,Nc1cccc2c(O)c(ccc12)C(=O)O,Nc1cccc2c(O)c(ccc12)C(=O)O,"InChI=1/C11H9NO3/c12-9-3-1-2-7-6(9)4-5-8(10(7)13)11(14)15/h1-5,13H,12H2,(H,14,15)",C11H9NO3,,,,,,FTFXTBBEMSWGHU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.547,261-121-4,58102-02-6,"2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenal","2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal",C\\C1=C\\CCC(C)(C)C1C=CC(C)C=O,C\C1=C\CCC(C)(C)C1C=CC(C)C=O,"InChI=1/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6-8,10-11,13H,5,9H2,1-4H3",C14H22O,,,,,,AISADLWIINCFJS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.559,261-135-0,58114-34-4,"Octyl [3,5-bis(tert-butyl)-4-hydroxyphenyl]carbamate","octyl (3,5-di-tert-butyl-4-hydroxyphenyl)carbamate",CCCCCCCCOC(=O)Nc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCCCCCCCOC(=O)Nc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C23H39NO3/c1-8-9-10-11-12-13-14-27-21(26)24-17-15-18(22(2,3)4)20(25)19(16-17)23(5,6)7/h15-16,25H,8-14H2,1-7H3,(H,24,26)",C23H39NO3,,,,,,NTTIENRNNNJCHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.565,261-141-3,58145-14-5,2-[bis(2-aminoethyl)amino]ethanol,2-[bis(2-aminoethyl)amino]ethanol,NCCN(CCN)CCO,NCCN(CCN)CCO,"InChI=1/C6H17N3O/c7-1-3-9(4-2-8)5-6-10/h10H,1-8H2",C6H17N3O,,,,,,WUXYGKZSOBYDPP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.568,261-145-5,58160-99-9,(3-aminopropyl)silanetriol,(3-aminopropyl)silanetriol,NCCC[Si](O)(O)O,NCCC[Si](O)(O)O,"InChI=1/C3H11NO3Si/c4-2-1-3-8(5,6)7/h5-7H,1-4H2",C3H11NO3Si,,,,,,JTXUAHIMULPXKY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.575,261-152-3,58176-63-9,ß-methoxy-a-phenylphenethyl alcohol,"2-methoxy-1,2-diphenylethanol",COC(C(O)c1ccccc1)c2ccccc2,COC(C(O)c1ccccc1)c2ccccc2,"InChI=1/C15H16O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-16H,1H3",C15H16O2,,,,,,DAUUWYCGIFAYBG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.578,261-156-5,58179-67-2,Lithium tetra-1H-pyrrol-1-ylborate(1-),lithium tetra-1H-pyrrol-1-ylborate(1-),[Li+].c1ccn(c1)[B-](n2cccc2)(n3cccc3)n4cccc4,[Li+].c1ccn(c1)[B-](n2cccc2)(n3cccc3)n4cccc4,"InChI=1/C16H16BN4.Li/c1-2-10-18(9-1)17(19-11-3-4-12-19,20-13-5-6-14-20)21-15-7-8-16-21;/h1-16H;/q-1;+1",C16H16BN4.Li,,,,,,UTQCYTAXMDLCNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.582,261-160-7,58197-49-2,Titanium(4+) acrylate,titanium(4+) tetraacrylate,[Ti+4].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Ti+4].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/4C3H4O2.Ti/c4*1-2-3(4)5;/h4*2H,1H2,(H,4,5);/q;;;;+4/p-4",C3H4O2.1/4Ti,,,,,,YRWWCNGKZLMTPH-UHFFFAOYSA-J,,,,,,,,,,,
100.055.585,261-163-3,58202-07-6,"2-chloro-N-[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]-4,4-dimethyl-3-oxovaleramide","2-chloro-N-[2-(hexadecyloxy)-5-(methylsulfamoyl)phenyl]-4,4-dimethyl-3-oxopentanamide",CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)C(Cl)C(=O)C(C)(C)C)S(=O)(=O)NC,CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)C(Cl)C(=O)C(C)(C)C)S(=O)(=O)NC,"InChI=1/C30H51ClN2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38-26-21-20-24(39(36,37)32-5)23-25(26)33-29(35)27(31)28(34)30(2,3)4/h20-21,23,27,32H,6-19,22H2,1-5H3,(H,33,35)",C30H51ClN2O5S,,,,,,SJAQFWWPZHJRPU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.589,261-168-0,58212-86-5,"Estra-1,3,5(10),7-tetraene-3,17a-diol 17-acetate","3-hydroxyestra-1,3,5(10),7-tetraen-17-yl acetate",CC(=O)O[C@@H]1CC[C@H]2C3=CCc4cc(O)ccc4[C@H]3CC[C@]12C,CC(=O)O[C@@H]1CC[C@H]2C3=CCc4cc(O)ccc4[C@H]3CC[C@]12C,"InChI=1/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4-6,11,16,18-19,22H,3,7-10H2,1-2H3",C20H24O3,,,,,,CCPTXKVXEUQMCP-MDNKFWRPSA-N,,,,,,,,,,,
100.055.590,261-169-6,58214-38-3,Sodium hydrogen malate,hydrogen sodium malate,[Na+].OC(CC(=O)[O-])C(=O)[O-],[Na+].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.Na/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+1/p-2",C4H6O5.Na,,,,,,DOJOZCIMYABYPO-UHFFFAOYSA-L,,,,,,,,,,,
100.055.591,261-170-1,58214-96-3,2-phenoxyethyl isovalerate,2-phenoxyethyl 3-methylbutanoate,CC(C)CC(=O)OCCOc1ccccc1,CC(C)CC(=O)OCCOc1ccccc1,"InChI=1/C13H18O3/c1-11(2)10-13(14)16-9-8-15-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",C13H18O3,,,,,,YZUZZKHORGLGEC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.639,264-522-2,63870-26-8,Allyl(3-aminopropyl)dimethylammonium chloride,"N-(3-aminopropyl)-N,N-dimethylprop-2-en-1-aminium chloride",[Cl-].C[N+](C)(CCCN)CC=C,[Cl-].C[N+](C)(CCCN)CC=C,"InChI=1/C8H19N2.ClH/c1-4-7-10(2,3)8-5-6-9;/h4H,1,5-9H2,2-3H3;1H/q+1;/p-1",C8H19N2.Cl,,,,,,VIRJQDGMPFQQHS-UHFFFAOYSA-M,,,,,,,,,,,
100.058.647,264-531-1,63870-37-1,"1H-naphtho[1,2-d]triazole-6-sulphonic acid","1H-naphtho[1,2-d][1,2,3]triazole-6-sulfonic acid",OS(=O)(=O)c1cccc2c1ccc3nn[nH]c23,OS(=O)(=O)c1cccc2c1ccc3nn[nH]c23,"InChI=1/C10H7N3O3S/c14-17(15,16)9-3-1-2-7-6(9)4-5-8-10(7)12-13-11-8/h1-5H,(H,11,12,13)(H,14,15,16)",C10H7N3O3S,,,,,,RTMRNNXPVGAAJD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.898,260-407-6,56860-12-9,"3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic anhydride","3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic anhydride",CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(=O)C2C(C=C(Cl)Cl)C2(C)C,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(=O)C2C(C=C(Cl)Cl)C2(C)C,"InChI=1/C16H18Cl4O3/c1-15(2)7(5-9(17)18)11(15)13(21)23-14(22)12-8(6-10(19)20)16(12,3)4/h5-8,11-12H,1-4H3",C16H18Cl4O3,,,,,,CFCQREDNKXNRIG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.553,240-225-3,16078-88-9,1-(N-ethylanilino)propan-2-ol,1-[ethyl(phenyl)amino]propan-2-ol,CCN(CC(C)O)c1ccccc1,CCN(CC(C)O)c1ccccc1,"InChI=1/C11H17NO/c1-3-12(9-10(2)13)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3",C11H17NO,,,,,,FLSMFIOMSYLMGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.566,240-240-5,16088-19-0,3-dimethylaminophenyl dimethylcarbamate,3-(dimethylamino)phenyl dimethylcarbamate,CN(C)C(=O)Oc1cccc(c1)N(C)C,CN(C)C(=O)Oc1cccc(c1)N(C)C,"InChI=1/C11H16N2O2/c1-12(2)9-6-5-7-10(8-9)15-11(14)13(3)4/h5-8H,1-4H3",C11H16N2O2,,,,,,FWNHTEHWJKUVPG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.569,240-243-1,16089-43-3,3-methyl-4-(pyrrolidin-1-yl)aniline,3-methyl-4-pyrrolidin-1-ylaniline,Cc1cc(N)ccc1N2CCCC2,Cc1cc(N)ccc1N2CCCC2,"InChI=1/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3",C11H16N2,,,,,,HXGBHCCAZHQXQV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.573,240-247-3,16090-06-5,Lithium 4-aminobenzoate,lithium 4-aminobenzoate,[Li+].Nc1ccc(cc1)C(=O)[O-],[Li+].Nc1ccc(cc1)C(=O)[O-],"InChI=1/C7H7NO2.Li/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",C7H7NO2.Li,,,,,,KWMSBWLIJHPSTD-UHFFFAOYSA-M,,,,,,,,,,,
100.036.575,240-249-4,16090-14-5,"1,1,2,2-tetrafluoro-2-[1,2,2-trifluoro-1-(trifluoromethyl)-2-[(trifluorovinyl)oxy]ethoxy]ethanesulphonyl fluoride","2-(1-{difluoro[(trifluorovinyl)oxy]methyl}-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride",FC(=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F)F,FC(=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F)F,"InChI=1/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23",C7F14O4S,,,,,,KTCQQCLZUOZFEI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.577,240-252-0,16091-04-6,"3,6-bis[(4-bromo-2-sulphophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid","3,6-bis[(4-bromo-2-sulfophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid",Brc4cc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(Br)cc1S(O)(=O)=O)c(O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)cc4)S(O)(=O)=O,Brc4cc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(Br)cc1S(O)(=O)=O)c(O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)cc4)S(O)(=O)=O,"InChI=1/C22H14Br2N4O14S4/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)",C22H14Br2N4O14S4,,,,,,QJTJGSDSFNFCRT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.579,240-254-1,16091-26-2,3'-aminobenzanilide,N-(3-aminophenyl)benzamide,Nc1cccc(NC(=O)c2ccccc2)c1,Nc1cccc(NC(=O)c2ccccc2)c1,"InChI=1/C13H12N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-9H,14H2,(H,15,16)",C13H12N2O,,,,,,IRFCTHNJIWUUJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.581,240-256-2,16094-02-3,Magnesium trichloroacetate,magnesium bis(trichloroacetate),[Mg+2].[O-]C(=O)C(Cl)(Cl)Cl.[O-]C(=O)C(Cl)(Cl)Cl,[Mg+2].[O-]C(=O)C(Cl)(Cl)Cl.[O-]C(=O)C(Cl)(Cl)Cl,"InChI=1/2C2HCl3O2.Mg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2",C2HCl3O2.1/2Mg,,,,,,YMNRJYYHNXITFZ-UHFFFAOYSA-L,,,,,,,,,,,
100.036.582,240-257-8,16094-30-7,3-tert-butylsalicylic acid,3-tert-butyl-2-hydroxybenzoic acid,CC(C)(C)c1cccc(C(=O)O)c1O,CC(C)(C)c1cccc(C(=O)O)c1O,"InChI=1/C11H14O3/c1-11(2,3)8-6-4-5-7(9(8)12)10(13)14/h4-6,12H,1-3H3,(H,13,14)",C11H14O3,,,,,,ZAAMQANODYDRDF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.584,240-259-9,16096-30-3,"2,2'-[(1-methylethylene)bis(oxymethylene)]bisoxirane","2,2'-[propane-1,2-diylbis(oxymethylene)]dioxirane",CC(COCC1CO1)OCC2CO2,CC(COCC1CO1)OCC2CO2,"InChI=1/C9H16O4/c1-7(11-4-9-6-13-9)2-10-3-8-5-12-8/h7-9H,2-6H2,1H3",C9H16O4,,,,,,HDPLHDGYGLENEI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.567,233-638-5,10288-28-5,2-(1-cyano-1-methylethyl)azocarboxamide,2-(1-cyano-1-methylethyl)diazenecarboxamide,CC(C)(N=NC(=O)N)C#N,CC(C)(N=NC(=O)N)C#N,"InChI=1/C5H8N4O/c1-5(2,3-6)9-8-4(7)10/h1-2H3,(H2,7,10)",C5H8N4O,,,,,,CKSAKVMRQYOFBC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.571,233-642-7,10290-03-6,"Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate)","disodium 4,10-dibromonaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-diyl disulfate",[Na+].[Na+].[O-]S(=O)(=O)Oc1c2cccc3c(Br)cc4c(OS(=O)(=O)[O-])c5cccc6c(Br)cc1c(c56)c4c23,[Na+].[Na+].[O-]S(=O)(=O)Oc1c2cccc3c(Br)cc4c(OS(=O)(=O)[O-])c5cccc6c(Br)cc1c(c56)c4c23,"InChI=1/C22H10Br2O8S2.2Na/c23-15-7-14-19-17-9(15)3-1-5-11(17)21(31-33(25,26)27)13-8-16(24)10-4-2-6-12(18(10)20(13)19)22(14)32-34(28,29)30;;/h1-8H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C22H10Br2O8S2.2Na,,,,,,FQRHOYWBIFGUAP-UHFFFAOYSA-L,,,,,,,,,,,
100.030.577,233-649-5,10290-96-7,2-hydroxyethyl bis(hydroxymethyl)carbamate,2-hydroxyethyl bis(hydroxymethyl)carbamate,OCCOC(=O)N(CO)CO,OCCOC(=O)N(CO)CO,"InChI=1/C5H11NO5/c7-1-2-11-5(10)6(3-8)4-9/h7-9H,1-4H2",C5H11NO5,,,,,,NFZKOWUWFGTZQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.582,233-654-2,10294-28-7,Gold tribromide,gold tribromide,[Br-].[Br-].[Br-].[Au+].[Au+].[Au+],[Br-].[Br-].[Br-].[Au+].[Au+].[Au+],InChI=1/3Au.3BrH/h;;;3*1H/q3*+1;;;/p-3,AuBr3,,,,,,JYTRFAFZGBHARH-UHFFFAOYSA-K,,,,,,,,,,,
100.059.969,265-985-3,65954-87-2,Ethyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-ethoxy-3-oxopropyl)-ß-alaninate,"diethyl 3,3'-({3-acetamido-4-[(4-nitrophenyl)diazenyl]phenyl}imino)dipropanoate (non-preferred name)",CCOC(=O)CCN(CCC(=O)OCC)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(c2)NC(C)=O,CCOC(=O)CCN(CCC(=O)OCC)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(c2)NC(C)=O,"InChI=1/C24H29N5O7/c1-4-35-23(31)12-14-28(15-13-24(32)36-5-2)20-10-11-21(22(16-20)25-17(3)30)27-26-18-6-8-19(9-7-18)29(33)34/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,30)",C24H29N5O7,,,,,,KJVPJFKGDOKNJC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.970,265-986-9,65956-64-1,2-(trimethylammonio)ethyl cholest-5-en-3ß-yl hydrogen phosphate,"2-{[(cholest-5-en-3-yloxy)(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OP(=O)(O)OCC[N+](C)(C)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OP(=O)(O)OCC[N+](C)(C)C,"InChI=1/C32H58NO4P/c1-23(2)10-9-11-24(3)28-14-15-29-27-13-12-25-22-26(37-38(34,35)36-21-20-33(6,7)8)16-18-31(25,4)30(27)17-19-32(28,29)5/h12,23-24,26-30H,9-11,13-22H2,1-8H3/p+1",C32H58NO4P,,,,,,MWEZHNCHKXEIBJ-RWFZIKKDSA-O,,,,,,,,,,,
100.061.254,267-400-7,67859-51-2,"Diammonium [[N,N'-ethylenebis[N-(carboxylatomethyl)glycinato]](4-)-N,N',O,O',ON,ON']zincate(2-)","diammonium zinc 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[NH4+].[NH4+].[Zn+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[NH4+].[NH4+].[Zn+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.2H3N.Zn/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H3;/q;;;+2/p-2",C10H12N2O8Zn.2H4N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12652,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.254,GWHKVBGPJWLRSZ-UHFFFAOYSA-L,,,,,,,,,,,
100.061.255,267-401-2,67859-54-5,Methyl 3-(hexylthio)propionate,methyl 3-(hexylsulfanyl)propanoate,CCCCCCSCCC(=O)OC,CCCCCCSCCC(=O)OC,"InChI=1/C10H20O2S/c1-3-4-5-6-8-13-9-7-10(11)12-2/h3-9H2,1-2H3",C10H20O2S,,,,,,WPTNLVDNPQJRAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.256,267-402-8,67859-55-6,"2,2-dibutyl-6-oxo-1,3,2-oxathiastanninane-4-carboxylic acid","2,2-dibutyl-6-oxo-1,3,2-oxathiastanninane-4-carboxylic acid",CCCC[Sn]1(CCCC)OC(=O)CC(S1)C(=O)O,CCCC[Sn]1(CCCC)OC(=O)CC(S1)C(=O)O,"InChI=1/C4H6O4S.2C4H9.Sn/c5-3(6)1-2(9)4(7)8;2*1-3-4-2;/h2,9H,1H2,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/rC12H22O4SSn/c1-3-5-7-18(8-6-4-2)16-11(13)9-10(17-18)12(14)15/h10H,3-9H2,1-2H3,(H,14,15)",C12H22O4SSn,,,,,,LVYHWZLVISKZHG-UHFFFAOYSA-L,,,,,,,,,,,
100.061.257,267-403-3,67859-56-7,"2,3-dihydroxypropyl 3-(hexylthio)propionate","2,3-dihydroxypropyl 3-(hexylsulfanyl)propanoate",CCCCCCSCCC(=O)OCC(O)CO,CCCCCCSCCC(=O)OCC(O)CO,"InChI=1/C12H24O4S/c1-2-3-4-5-7-17-8-6-12(15)16-10-11(14)9-13/h11,13-14H,2-10H2,1H3",C12H24O4S,,,,,,SXNLGWZJZFAJAR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.662,262-348-1,60646-30-2,(S)-a-(trifluoromethyl)anthracene-9-methanol,"1-(9-anthryl)-2,2,2-trifluoroethanol",O[C@@H](c1c2ccccc2cc3ccccc13)C(F)(F)F,O[C@@H](c1c2ccccc2cc3ccccc13)C(F)(F)F,"InChI=1/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H",C16H11F3O,,,,,,ICZHJFWIOPYQCA-HNNXBMFYSA-N,,,,,,,,,,,
100.056.664,262-350-2,60659-36-1,"3-[(2-hydroxydodecyl)methylamino]propane-1,2-diol","3-[(2-hydroxydodecyl)(methyl)amino]propane-1,2-diol",CCCCCCCCCCC(O)CN(C)CC(O)CO,CCCCCCCCCCC(O)CN(C)CC(O)CO,"InChI=1/C16H35NO3/c1-3-4-5-6-7-8-9-10-11-15(19)12-17(2)13-16(20)14-18/h15-16,18-20H,3-14H2,1-2H3",C16H35NO3,,,,,,PFGDHGPYLSLZQD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.665,262-351-8,60659-43-0,"3,3'-(octadecylimino)bispropane-1,2-diol","3,3'-(octadecylimino)dipropane-1,2-diol",CCCCCCCCCCCCCCCCCCN(CC(O)CO)CC(O)CO,CCCCCCCCCCCCCCCCCCN(CC(O)CO)CC(O)CO,"InChI=1/C24H51NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-23(28)21-26)20-24(29)22-27/h23-24,26-29H,2-22H2,1H3",C24H51NO4,,,,,,QCOZKOLXTLBJRT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.666,262-352-3,60659-60-1,"Tetradecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate","tetradecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dien-1-oate",CCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCC,"InChI=1/2C18H32O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC44H80O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-37-49-41(45)33-35-43(47)51-53(39-11-7-3,40-12-8-4)52-44(48)36-34-42(46)50-38-32-30-28-26-24-22-20-18-16-14-10-6-2/h33-36H,5-32,37-40H2,1-4H3",C44H80O8Sn,,,,,,PRLCKJLONDXDMA-POUCYOBESA-L,,,,,,,,,,,
100.056.667,262-353-9,60659-61-2,"Tridecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannapentacosa-2,9-dienoate","tridecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannapentacosa-2,9-dien-1-oate",CCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCCC,"InChI=1/2C17H30O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-15-21-17(20)14-13-16(18)19;2*1-3-4-2;/h2*13-14H,2-12,15H2,1H3,(H,18,19);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC42H76O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-35-47-39(43)31-33-41(45)49-51(37-11-7-3,38-12-8-4)50-42(46)34-32-40(44)48-36-30-28-26-24-22-20-18-16-14-10-6-2/h31-34H,5-30,35-38H2,1-4H3",C42H76O8Sn,,,,,,JNKCYBSAZHJNIZ-LHJYRGMRSA-L,,,,,,,,,,,
100.036.539,240-210-1,16066-35-6,p-cumenesulphonic acid,4-isopropylbenzenesulfonic acid,CC(C)c1ccc(cc1)S(=O)(=O)O,CC(C)c1ccc(cc1)S(=O)(=O)O,"InChI=1/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)",C9H12O3S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5243,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.539,CVLHGLWXLDOELD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.540,240-211-7,16066-38-9,Dipropyl peroxydicarbonate,"1,1'-[dioxybis(carbonyloxy)]dipropane",CCCOC(=O)OOC(=O)OCCC,CCCOC(=O)OOC(=O)OCCC,"InChI=1/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3",C8H14O6,,,,,,YPVDWEHVCUBACK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.544,240-215-9,16069-32-2,"Biphenyl-2,4-ylenediamine","biphenyl-2,4-diamine",Nc1ccc(c(N)c1)c2ccccc2,Nc1ccc(c(N)c1)c2ccccc2,"InChI=1/C12H12N2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H,13-14H2",C12H12N2,,,,,,AXTSDCSKRWMCRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.545,240-216-4,16069-36-6,"Icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin","icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine",C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1,C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1,"InChI=1/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2",C20H36O6,,,,,,BBGKDYHZQOSNMU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.519,233-585-8,10248-74-5,2-[bis(2-hydroxyethyl)amino]ethyl stearate,2-[bis(2-hydroxyethyl)amino]ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCO,"InChI=1/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h26-27H,2-23H2,1H3",C24H49NO4,,,,,,FVIMRJIDRHUTQP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.520,233-586-3,10248-89-2,"1,3-(difurfuryl)thiourea","1,3-bis(2-furylmethyl)thiourea",S=C(NCc1occc1)NCc2occc2,S=C(NCc1occc1)NCc2occc2,"InChI=1/C11H12N2O2S/c16-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-15-10/h1-6H,7-8H2,(H2,12,13,16)",C11H12N2O2S,,,,,,UPLWHRBYCKGWOL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.521,233-587-9,10249-13-5,2-phenethylisoquinolinium bromide,2-(2-phenylethyl)isoquinolinium bromide,[Br-].C(C[n+]1ccc2ccccc2c1)c3ccccc3,[Br-].C(C[n+]1ccc2ccccc2c1)c3ccccc3,"InChI=1/C17H16N.BrH/c1-2-6-15(7-3-1)10-12-18-13-11-16-8-4-5-9-17(16)14-18;/h1-9,11,13-14H,10,12H2;1H/q+1;/p-1",C17H16N.Br,,,,,,RGEPGGFMNXPUEU-UHFFFAOYSA-M,,,,,,,,,,,
100.030.526,233-593-1,10254-57-6,"4,4'-methylene bis(dibutyldithiocarbamate)",methylene bis[dibutyl(dithiocarbamate)],CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC,CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC,"InChI=1/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3",C19H38N2S4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5598,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.526,LMODBLQHQHXPEI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.527,233-594-7,10255-67-1,Sodium 3-mercaptopyruvate,sodium 2-oxo-3-sulfanylpropanoate,[Na+].[O-]C(=O)C(=O)CS,[Na+].[O-]C(=O)C(=O)CS,"InChI=1/C3H4O3S.Na/c4-2(1-7)3(5)6;/h7H,1H2,(H,5,6);/q;+1/p-1",C3H4O3S.Na,,,,,,CODUSAVZTZYYDD-UHFFFAOYSA-M,,,,,,,,,,,
100.030.532,233-599-4,10262-69-8,Maprotiline,"3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine",CNCCCC12CCC(c3ccccc13)c4ccccc24,CNCCCC12CCC(c3ccccc13)c4ccccc24,"InChI=1/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3",C20H23N,,,,,,QSLMDECMDJKHMQ-UHFFFAOYSA-N,Positive,AU222101|AU222102|AU222103|AU222104|AU222105;EQ331701|EQ331702|EQ331703|EQ331704|EQ331705|EQ331706,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,278.1927:279.1957:250.1601|278.1925:250.161:279.1956|219.1182:250.1608:191.0864|191.0864:178.0784:219.1179|191.0865:178.0786:204.0939;278.1904:250.1591:117.0698|278.1903:250.1591:117.0698|250.1591:219.1169:117.0698|191.0856:219.1169:117.0699|191.0855:178.0777:91.0542|191.0855:178.0777:91.0542,Athens_Univ;Eawag,,,,,
100.030.533,233-600-8,10262-82-5,2-amino-1-nitroanthraquinone,"2-amino-1-nitro-9,10-anthraquinone",Nc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],Nc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],"InChI=1/C14H8N2O4/c15-10-6-5-9-11(12(10)16(19)20)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15H2",C14H8N2O4,,,,,,MTXKQBHZBNCFSC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.540,233-608-1,10268-69-6,Phenyl anthranilate,phenyl 2-aminobenzoate,Nc1ccccc1C(=O)Oc2ccccc2,Nc1ccccc1C(=O)Oc2ccccc2,"InChI=1/C13H11NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,14H2",C13H11NO2,,,,,,ZBFSYQBEXZGTAX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.545,233-613-9,10271-55-3,2-(ethylthio)-1-phenylethan-1-one,2-(ethylsulfanyl)-1-phenylethanone,CCSCC(=O)c1ccccc1,CCSCC(=O)c1ccccc1,"InChI=1/C10H12OS/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12OS,,,,,,OGASNHSCMVVLCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.549,233-618-6,10273-89-9,2-(o-tolyl)pyridine,2-(2-methylphenyl)pyridine,Cc1ccccc1c2ccccn2,Cc1ccccc1c2ccccn2,"InChI=1/C12H11N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12/h2-9H,1H3",C12H11N,,,,,,GRTWYIODJKVPEV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.559,233-629-6,10281-53-5,"[1S-(1a,2a,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptane","2,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,CC1CCC2CC1C2(C)C,"InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3",C10H18,,,,,,XOKSLPVRUOBDEW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.560,233-630-1,10283-72-4,Dodecyl hydrogen fumarate,4-(dodecyloxy)-4-oxobut-2-enoic acid,CCCCCCCCCCCCOC(=O)\\C=C\\C(=O)O,CCCCCCCCCCCCOC(=O)\C=C\C(=O)O,"InChI=1/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h12-13H,2-11,14H2,1H3,(H,17,18)",C16H28O4,,,,,,IIPCXIGUIPAGQB-OUKQBFOZSA-N,,,,,,,,,,,
100.058.648,264-532-7,63870-40-6,"2-(2-anilinovinyl)-3-ethyl-4,5-dihydrothiazolium iodide","2-(2-anilinovinyl)-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].CC[N+]1=C(SCC1)\\C=C\\Nc2ccccc2,[I-].CC[N+]1=C(SCC1)\C=C\Nc2ccccc2,"InChI=1/C13H16N2S.HI/c1-2-15-10-11-16-13(15)8-9-14-12-6-4-3-5-7-12;/h3-9H,2,10-11H2,1H3;1H",C13H17N2S.I,,,,,,UZMRRJAQORCIRP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.650,264-534-8,63870-45-1,"3-ethyl-2-[2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethylbenzoxazolium iodide","3-ethyl-2-{2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5,6-dimethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4cc(C)c(C)cc4oc3C=C(CC)C=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4cc(C)c(C)cc4oc3C=C(CC)C=C2Sc1ccccc1N2CC,"InChI=1/C25H29N2OS.HI/c1-6-19(16-25-27(8-3)20-11-9-10-12-23(20)29-25)15-24-26(7-2)21-13-17(4)18(5)14-22(21)28-24;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1",C25H29N2OS.I,,,,,,OZPMNWSLSANVJN-UHFFFAOYSA-M,,,,,,,,,,,
100.058.657,264-542-1,63876-32-4,Ethyl 4-[benzyl(2-ethoxy-2-oxoethyl)amino]butyrate,ethyl 4-[benzyl(2-ethoxy-2-oxoethyl)amino]butanoate,CCOC(=O)CCCN(CC(=O)OCC)Cc1ccccc1,CCOC(=O)CCCN(CC(=O)OCC)Cc1ccccc1,"InChI=1/C17H25NO4/c1-3-21-16(19)11-8-12-18(14-17(20)22-4-2)13-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3",C17H25NO4,,,,,,MLUXZXWFKYDTTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.663,264-548-4,63893-35-6,Tetradodecylammonium nitrate,"N,N,N-tridodecyldodecan-1-aminium nitrate",CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-][N+](=O)[O-],CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-][N+](=O)[O-],"InChI=1/C48H100N.NO3/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;2-1(3)4/h5-48H2,1-4H3;/q+1;-1",C48H100N.NO3,,,,,,AHQMUYHFUYRUJV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.667,264-553-1,63905-13-5,"N'-(isopropyl)-N,N-dimethylpropane-1,3-diamine","N'-isopropyl-N,N-dimethylpropane-1,3-diamine",CC(C)NCCCN(C)C,CC(C)NCCCN(C)C,"InChI=1/C8H20N2/c1-8(2)9-6-5-7-10(3)4/h8-9H,5-7H2,1-4H3",C8H20N2,,,,,,LTERZGUIDLTILL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.671,264-557-3,63905-46-4,"2-methoxy-1,1-dimethyl-2-oxoethyl acrylate","2-methoxy-1,1-dimethyl-2-oxoethyl acrylate",COC(=O)C(C)(C)OC(=O)C=C,COC(=O)C(C)(C)OC(=O)C=C,"InChI=1/C8H12O4/c1-5-6(9)12-8(2,3)7(10)11-4/h5H,1H2,2-4H3",C8H12O4,,,,,,QEEOCOTWUSMGLV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.574,266-652-5,67338-65-2,Potassium 4-chloro-2-oxo-2H-benzothiazole-3-acetate,"potassium (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate",[K+].[O-]C(=O)CN1C(=O)Sc2cccc(Cl)c12,[K+].[O-]C(=O)CN1C(=O)Sc2cccc(Cl)c12,"InChI=1/C9H6ClNO3S.K/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;/h1-3H,4H2,(H,12,13);/q;+1/p-1",C9H6ClNO3S.K,,,,,,BVAQOPQXUNGRCM-UHFFFAOYSA-M,,,,,,,,,,,
100.060.578,266-656-7,67342-99-8,Ethyl 3-oxododecanoate,ethyl 3-oxododecanoate,CCCCCCCCCC(=O)CC(=O)OCC,CCCCCCCCCC(=O)CC(=O)OCC,"InChI=1/C14H26O3/c1-3-5-6-7-8-9-10-11-13(15)12-14(16)17-4-2/h3-12H2,1-2H3",C14H26O3,,,,,,GUIDAPPCHUNALD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.585,266-664-0,67358-40-1,Ethyl 3-(1H-imidazol-4-yl)acrylate monohydrochloride,ethyl 3-(1H-imidazol-4-yl)acrylate hydrochloride,Cl.CCOC(=O)\\C=C\\c1c[nH]cn1,Cl.CCOC(=O)\C=C\c1c[nH]cn1,"InChI=1/C8H10N2O2.ClH/c1-2-12-8(11)4-3-7-5-9-6-10-7;/h3-6H,2H2,1H3,(H,9,10);1H",C8H10N2O2.ClH,,,,,,WMXJHQDGIDEDHI-BJILWQEISA-N,,,,,,,,,,,
100.060.590,266-669-8,67364-88-9,p-(tert-butyl)benzyl acetate,4-tert-butylbenzyl acetate,CC(=O)OCc1ccc(cc1)C(C)(C)C,CC(=O)OCc1ccc(cc1)C(C)(C)C,"InChI=1/C13H18O2/c1-10(14)15-9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,9H2,1-4H3",C13H18O2,,,,,,QSCOAHKJRIJKQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.592,266-671-9,67380-31-8,"4,4'-(1-methyldecylidene)bisphenol","4,4'-undecane-2,2-diyldiphenol",CCCCCCCCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,CCCCCCCCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C23H32O2/c1-3-4-5-6-7-8-9-18-23(2,19-10-14-21(24)15-11-19)20-12-16-22(25)17-13-20/h10-17,24-25H,3-9,18H2,1-2H3",C23H32O2,,,,,,LKOGRXMNXYBFBF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.597,266-677-1,67389-43-9,"6-diazo-5,6-dihydro-N-(4-hydroxyphenyl)-5-oxonaphthalene-1-sulphonamide","6-diazo-N-(4-hydroxyphenyl)-5-oxo-5,6-dihydronaphthalene-1-sulfonamide",Oc1ccc(NS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1,Oc1ccc(NS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1,"InChI=1/C16H11N3O4S/c17-18-14-9-8-12-13(16(14)21)2-1-3-15(12)24(22,23)19-10-4-6-11(20)7-5-10/h1-9,19-20H",C16H11N3O4S,,,,,,CLQRJOHDDQIGSU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.602,266-682-9,67401-25-6,"(Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one","3-but-2-en-1-yl-2,4,4-trimethylcyclohex-2-en-1-one",C\\C=C/CC1=C(C)C(=O)CCC1(C)C,C\C=C/CC1=C(C)C(=O)CCC1(C)C,"InChI=1/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3",C13H20O,,,,,,CVDHBGKYPTUEAA-WAYWQWQTSA-N,,,,,,,,,,,
100.060.612,266-693-9,67446-07-5,(Z)-5-decenyl acetate,dec-5-en-1-yl acetate,CCCC\\C=C/CCCCOC(=O)C,CCCC\C=C/CCCCOC(=O)C,"InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3",C12H22O2,,,,,,VTUFOIHYMMMNOM-SREVYHEPSA-N,,,,,,,,,,,
100.055.598,261-178-5,58237-08-4,"1,3-dimethylbutyl hydrogen phosphorodithioate, sodium salt","sodium O-(1,3-dimethylbutyl) hydrogen dithiophosphate",[Na+].CC(C)CC(C)OP(=O)(S)[S-],[Na+].CC(C)CC(C)OP(=O)(S)[S-],"InChI=1/C6H15O2PS2.Na/c1-5(2)4-6(3)8-9(7,10)11;/h5-6H,4H2,1-3H3,(H2,7,10,11);/q;+1/p-1",C12H27O2PS2.Na,,,,,,BEQGWPTZNJWBFL-UHFFFAOYSA-M,,,,,,,,,,,
100.030.586,233-658-4,10294-34-5,Boron trichloride,boron trichloride,[Cl-].[Cl-].[Cl-].[BH6+3],[Cl-].[Cl-].[Cl-].[BH6+3],InChI=1/BH3.3ClH/h1H3;3*1H/q+3;;;/p-3,BCl3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5454,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.586,AXFTUEJZODVOTH-UHFFFAOYSA-K,,,,,,,,,,,
100.030.591,233-664-7,10294-58-3,Lead diphosphinate,-,[Pb+2].[O-]P=O.[O-]P=O,[Pb+2].[O-]P=O.[O-]P=O,"InChI=1/2HO2P.Pb.2H/c2*1-3-2;;;/h2*(H,1,2);;;/q;;+4;;/p-2/r2HO2P.H2Pb/c2*1-3-2;/h2*(H,1,2);1H2/q;;+4/p-2",H3O2P.1/2Pb,,,,,,KQWFPMFJUCTEFY-UHFFFAOYSA-L,,,,,,,,,,,
100.030.600,233-674-1,10298-80-3,4-chloro-3-nitroanisole,1-chloro-4-methoxy-2-nitrobenzene,COc1ccc(Cl)c(c1)[N+](=O)[O-],COc1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",C7H6ClNO3,,,,,,HISHUMDTGXICEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.605,233-679-9,10305-36-9,4-hydroxybutyl dihydrogen phosphate,4-hydroxybutyl dihydrogen phosphate,OCCCCOP(=O)(O)O,OCCCCOP(=O)(O)O,"InChI=1/C4H11O5P/c5-3-1-2-4-9-10(6,7)8/h5H,1-4H2,(H2,6,7,8)",C4H11O5P,,,,,,LZINOQJQXIEBNN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.606,233-680-4,10305-79-0,"Diphosphoric acid, aluminium sodium salt",aluminum sodium diphosphate,[Na+].[Al+3].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Na+].[Al+3].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/Al.Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q+3;+1;/p-4",Al.xH4O7P2.xNa,,,,,,ZTNAIMTUTCKEMM-UHFFFAOYSA-J,,,,,,,,,,,
100.030.608,233-683-0,10309-63-4,"[1S-(1a,3a,4a,6a)]-3-hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-4-yl acetate","4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl acetate",CC(=O)OC1CC2C(CC1(C)O)C2(C)C,CC(=O)OC1CC2C(CC1(C)O)C2(C)C,"InChI=1/C12H20O3/c1-7(13)15-10-5-8-9(11(8,2)3)6-12(10,4)14/h8-10,14H,5-6H2,1-4H3",C12H20O3,,,,,,ULLVLQDHBOHWGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.612,233-687-2,10310-32-4,Tribenoside,"ethyl 3,5,6-tri-O-benzyl-D-glucofuranoside",CCO[C@@H]1O[C@H](C(COCc2ccccc2)OCc3ccccc3)[C@H](OCc4ccccc4)[C@H]1O,CCO[C@@H]1O[C@H](C(COCc2ccccc2)OCc3ccccc3)[C@H](OCc4ccccc4)[C@H]1O,"InChI=1/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3",C29H34O6,,,,,,ULLNJSBQMBKOJH-SCNPRXQJSA-N,,,,,,,,,,,
100.030.614,233-689-3,10311-84-9,Dialifos,"S-[2-chloro-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] O,O-diethyl dithiophosphate",CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,"InChI=1/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3",C14H17ClNO4PS2,,,,,,MUMQYXACQUZOFP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.185,236-519-6,13419-09-5,(decanoato-O)oxoaluminium,(decanoato-kappaO)(oxo)aluminum,CCCCCCCCCC(=O)O[Al]=O,CCCCCCCCCC(=O)O[Al]=O,"InChI=1/C10H20O2.Al.O/c1-2-3-4-5-6-7-8-9-10(11)12;;/h2-9H2,1H3,(H,11,12);;/q;+1;/p-1/rC10H19AlO3/c1-2-3-4-5-6-7-8-9-10(12)14-11-13/h2-9H2,1H3",C10H19AlO3,,,,,,PTEMJYUCBRQHAL-UHFFFAOYSA-M,,,,,,,,,,,
100.033.192,236-526-4,13419-67-5,Ammonium 2-mercaptopropionate,ammonium 2-sulfanylpropanoate,[NH4+].CC(S)C(=O)[O-],[NH4+].CC(S)C(=O)[O-],"InChI=1/C3H6O2S.H3N/c1-2(6)3(4)5;/h2,6H,1H3,(H,4,5);1H3",C3H6O2S.H3N,,,,,,VHFSMDHANDABQK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.193,236-528-5,13419-69-7,trans-hex-2-enoic acid,hex-2-enoic acid,CCC\\C=C\\C(=O)O,CCC\C=C\C(=O)O,"InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)",C6H10O2,,,,,,NIONDZDPPYHYKY-SNAWJCMRSA-N,,,,,,,,,,,
100.033.198,236-533-2,13422-51-0,Hydroxocobalamin,-,CC1CNC(=O)CCC2C3=C(C)C4=NC(=CC5=NC(=C(C)C6=NC(C)(C(N3[Co](O)OP(=O)(OC7C(CO)OC(C7O)n8cnc9cc(C)c(C)cc89)O1)C2(C)CC(=O)N)C(C)(CC(=O)N)C6CCC(=O)N)C(C)(CC(=O)N)C5CCC(=O)N)C(CCC(=O)N)C4(C)C,CC1CNC(=O)CCC2C3=C(C)C4=NC(=CC5=NC(=C(C)C6=NC(C)(C(N3[Co](O)OP(=O)(OC7C(CO)OC(C7O)n8cnc9cc(C)c(C)cc89)O1)C2(C)CC(=O)N)C(C)(CC(=O)N)C6CCC(=O)N)C(C)(CC(=O)N)C5CCC(=O)N)C(CCC(=O)N)C4(C)C,"InChI=1/C62H90N13O14P.Co.H2O/c1-29-20-40-41(21-30(29)2)75(28-70-40)56-52(84)53(42(27-76)87-56)89-90(85,86)88-31(3)26-69-49(83)19-15-36-50-32(4)54-58(6,7)34(12-16-43(63)77)38(71-54)22-39-35(13-17-44(64)78)59(8,23-46(66)80)55(72-39)33(5)51-37(14-18-45(65)79)61(10,25-48(68)82)62(11,74-51)57(73-50)60(36,9)24-47(67)81;;/h20-22,28,31,34-37,42,52-53,56-57,76,84H,12-19,23-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/rC62H89CoN13O15P/c1-29-20-40-41(21-30(29)2)75(28-71-40)56-52(85)53(42(27-77)88-56)90-92(87)89-31(3)26-70-49(84)19-15-37-51-33(5)54-58(6,7)34(12-16-43(64)78)38(72-54)22-39-35(13-17-44(65)79)59(8,23-46(67)81)55(73-39)32(4)50-36(14-18-45(66)80)61(10,25-48(69)83)62(11,74-50)57(76(51)63(86)91-92)60(37,9)24-47(68)82/h20-22,28,31,34-37,42,52-53,56-57,77,85-86H,12-19,23-27H2,1-11H3,(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H,70,84)",C62H89CoN13O15P,,,,,,GTSMWDDKWYUXGH-UHFFFAOYSA-K,,,,,,,,,,,
100.033.207,236-543-7,13424-80-1,"N,N,N',N'-tetramethylglutaramide","N,N,N',N'-tetramethylpentanediamide",CN(C)C(=O)CCCC(=O)N(C)C,CN(C)C(=O)CCCC(=O)N(C)C,"InChI=1/C9H18N2O2/c1-10(2)8(12)6-5-7-9(13)11(3)4/h5-7H2,1-4H3",C9H18N2O2,,,,,,WFXSOGZBNQWNIV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.214,236-551-0,13429-32-8,N-(2-hydroxyethyl)-N-methylguanidine,1-(2-hydroxyethyl)-1-methylguanidine,CN(CCO)C(=N)N,CN(CCO)C(=N)N,"InChI=1/C4H11N3O/c1-7(2-3-8)4(5)6/h8H,2-3H2,1H3,(H3,5,6)",C4H11N3O,,,,,,ORTUDDOFSUHQKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.668,262-354-4,60662-19-3,Nilprazole,N-isopropyl-2-(4-{[1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]methyl}piperazin-1-yl)acetamide,CC(C)NC(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c4ccccc4)CC1,CC(C)NC(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c4ccccc4)CC1,"InChI=1/C26H33N5O2/c1-20(2)27-26(33)19-30-16-14-29(15-17-30)18-25-28-22-10-6-7-11-23(22)31(25)13-12-24(32)21-8-4-3-5-9-21/h3-11,20H,12-19H2,1-2H3,(H,27,33)",C26H33N5O2,,,,,,GPFJNGJUUKBSLS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.672,262-359-1,60664-15-5,Ethyl (R)-thiazolidine-4-carboxylate,"ethyl 1,3-thiazolidine-4-carboxylate",CCOC(=O)[C@@H]1CSCN1,CCOC(=O)[C@@H]1CSCN1,"InChI=1/C6H11NO2S/c1-2-9-6(8)5-3-10-4-7-5/h5,7H,2-4H2,1H3",C6H11NO2S,,,,,,ZRBNETYZYOXTLS-YFKPBYRVSA-N,,,,,,,,,,,
100.056.677,262-364-9,60671-03-6,"1,1'-(methylphosphinylidene)bis[2-methylaziridine]","1,1'-(methylphosphoryl)bis(2-methylaziridine)",CC1CN1P(=O)(C)N2CC2C,CC1CN1P(=O)(C)N2CC2C,"InChI=1/C7H15N2OP/c1-6-4-8(6)11(3,10)9-5-7(9)2/h6-7H,4-5H2,1-3H3",C7H15N2OP,,,,,,DEBOZTDUTRZWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.686,262-374-3,60682-24-8,Sodium 2-(4-isobutylphenyl)butyrate,sodium 2-(4-isobutylphenyl)butanoate,[Na+].CCC(C(=O)[O-])c1ccc(CC(C)C)cc1,[Na+].CCC(C(=O)[O-])c1ccc(CC(C)C)cc1,"InChI=1/C14H20O2.Na/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3;/h5-8,10,13H,4,9H2,1-3H3,(H,15,16);/q;+1/p-1",C14H20O2.Na,,,,,,SJBWJHOBCVAGGD-UHFFFAOYSA-M,,,,,,,,,,,
100.056.687,262-375-9,60682-94-2,2-ethoxyethyl chloroacetate,2-ethoxyethyl chloroacetate,CCOCCOC(=O)CCl,CCOCCOC(=O)CCl,"InChI=1/C6H11ClO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3",C6H11ClO3,,,,,,KPAIAQWSRMSXDB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.694,262-383-2,60700-37-0,Nickel(2+) acrylate,nickel(2+) diacrylate,[Ni+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Ni+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Ni/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Ni,,,,,,QFVGCVZHAQQIMT-UHFFFAOYSA-L,,,,,,,,,,,
100.056.697,262-386-9,60715-98-2,"(E)-3-(diethylamino)-N,N-dimethylacrylamide","3-(diethylamino)-N,N-dimethylacrylamide",CCN(CC)\\C=C\\C(=O)N(C)C,CCN(CC)\C=C\C(=O)N(C)C,"InChI=1/C9H18N2O/c1-5-11(6-2)8-7-9(12)10(3)4/h7-8H,5-6H2,1-4H3",C9H18N2O,,,,,,ZXAVESLBKNGZGY-BQYQJAHWSA-N,,,,,,,,,,,
100.056.699,262-389-5,60718-46-9,6-(1H-imidazol-1-yl)-6-oxohexanoic acid,6-(1H-imidazol-1-yl)-6-oxohexanoic acid,OC(=O)CCCCC(=O)n1ccnc1,OC(=O)CCCCC(=O)n1ccnc1,"InChI=1/C9H12N2O3/c12-8(11-6-5-10-7-11)3-1-2-4-9(13)14/h5-7H,1-4H2,(H,13,14)",C9H12N2O3,,,,,,FEDLMADKMHOMPF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.701,262-391-6,60725-36-2,2-[[(2-hydroxyethyl)methylamino]methyl]benzhydryl alcohol,2-[{2-[hydroxy(phenyl)methyl]benzyl}(methyl)amino]ethanol,CN(CCO)Cc1ccccc1C(O)c2ccccc2,CN(CCO)Cc1ccccc1C(O)c2ccccc2,"InChI=1/C17H21NO2/c1-18(11-12-19)13-15-9-5-6-10-16(15)17(20)14-7-3-2-4-8-14/h2-10,17,19-20H,11-13H2,1H3",C17H21NO2,,,,,,NHTAQNXZFMZXBU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.704,262-394-2,60732-52-7,Oxydiethylene bis[(3-isocyanatomethylphenyl)carbamate],oxydiethylene bis[(3-isocyanatomethylphenyl)carbamate],O=C([O-])Nc1cc(ccc1)C\\N=C=O.C=COC=C.[O-]C(=O)Nc1cc(C/N=C=O)ccc1,O=C([O-])Nc1cc(ccc1)C\N=C=O.C=COC=C.[O-]C(=O)Nc1cc(C/N=C=O)ccc1,"InChI=1/2C9H8N2O3.C4H6O/c2*12-6-10-5-7-2-1-3-8(4-7)11-9(13)14;1-3-5-4-2/h2*1-4,11H,5H2,(H,13,14);3-4H,1-2H2/p-2",C22H22N4O7,,,,,,YMUSVPSMZQOQLP-UHFFFAOYSA-L,,,,,,,,,,,
100.056.705,262-395-8,60736-58-5,2-chloro-3-(phenylsulphonyl)acrylonitrile,2-chloro-3-(phenylsulfonyl)acrylonitrile,Cl\\C(=C\\S(=O)(=O)c1ccccc1)\\C#N,Cl\C(=C\S(=O)(=O)c1ccccc1)\C#N,"InChI=1/C9H6ClNO2S/c10-8(6-11)7-14(12,13)9-4-2-1-3-5-9/h1-5,7H",C9H6ClNO2S,,,,,,ZIZQOIFYBUUDKK-BQYQJAHWSA-N,,,,,,,,,,,
100.058.562,264-438-6,63738-22-7,"N,N,N',N'-tetrakis(2,3-epoxypropyl)-m-xylene-a,a'-diamine","N,N'-[1,3-phenylenebis(methylene)]bis[1-oxiran-2-yl-N-(oxiran-2-ylmethyl)methanamine]",C(C1CO1)N(CC2CO2)Cc3cccc(CN(CC4CO4)CC5CO5)c3,C(C1CO1)N(CC2CO2)Cc3cccc(CN(CC4CO4)CC5CO5)c3,"InChI=1/C20H28N2O4/c1-2-15(5-21(7-17-11-23-17)8-18-12-24-18)4-16(3-1)6-22(9-19-13-25-19)10-20-14-26-20/h1-4,17-20H,5-14H2",C20H28N2O4,,,,,,SJPFBRJHYRBAGV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.567,264-443-3,63753-10-6,5-nonylsalicylaldehyde,2-hydroxy-5-nonylbenzaldehyde,CCCCCCCCCc1ccc(O)c(C=O)c1,CCCCCCCCCc1ccc(O)c(C=O)c1,"InChI=1/C16H24O2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17/h10-13,18H,2-9H2,1H3",C16H24O2,,,,,,JYWIGMQDJSGOMD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.568,264-444-9,63754-83-6,[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylene]malonic acid,[4-(2-hydroxyethoxy)-3-methoxybenzylidene]malonic acid,COc1cc(C=C(C(=O)O)C(=O)O)ccc1OCCO,COc1cc(C=C(C(=O)O)C(=O)O)ccc1OCCO,"InChI=1/C13H14O7/c1-19-11-7-8(2-3-10(11)20-5-4-14)6-9(12(15)16)13(17)18/h2-3,6-7,14H,4-5H2,1H3,(H,15,16)(H,17,18)",C13H14O7,,,,,,GQCJZJRQPUJBML-UHFFFAOYSA-N,,,,,,,,,,,
100.058.582,264-460-6,63785-15-9,Sodium hydrogen dipropionate,hydrogen sodium dipropanoate,[Na+].CCC(=O)[O-].CCC(=O)[O-],[Na+].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Na/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+1/p-2",C3H6O2.1/2Na,,,,,,PDIDTMXYILXCLW-UHFFFAOYSA-L,,,,,,,,,,,
100.058.586,264-464-8,63799-11-1,"(S)-4'-(2-methylbutyl)[1,1'-biphenyl]-4-carbonitrile",4'-(2-methylbutyl)biphenyl-4-carbonitrile,CC[C@H](C)Cc1ccc(cc1)c2ccc(cc2)C#N,CC[C@H](C)Cc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C18H19N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,14H,3,12H2,1-2H3",C18H19N,,,,,,DNJQGRFZQMOYGM-AWEZNQCLSA-N,,,,,,,,,,,
100.033.140,236-470-0,13391-39-4,1-chloro-3-(chlorophenylmethyl)benzene,1-chloro-3-[chloro(phenyl)methyl]benzene,ClC(c1ccccc1)c2cccc(Cl)c2,ClC(c1ccccc1)c2cccc(Cl)c2,"InChI=1/C13H10Cl2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13H",C13H10Cl2,,,,,,FCSFSWLSKOMQFX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.141,236-471-6,13392-26-2,"2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol",OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3,OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3,"InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",C15H14O6,,,,,,PFTAWBLQPZVEMU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.142,236-472-1,13393-56-1,Methyl bis[[(dimethylamino)thioxomethyl]thio]acetate,methyl bis[(dimethylcarbamothioyl)sulfanyl]acetate,COC(=O)C(SC(=S)N(C)C)SC(=S)N(C)C,COC(=O)C(SC(=S)N(C)C)SC(=S)N(C)C,"InChI=1/C9H16N2O2S4/c1-10(2)8(14)16-7(6(12)13-5)17-9(15)11(3)4/h7H,1-5H3",C9H16N2O2S4,,,,,,JBYHBIUXSCRTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.143,236-473-7,13393-61-8,Dibutylhydroxylamine,N-butyl-N-hydroxybutan-1-amine,CCCCN(O)CCCC,CCCCN(O)CCCC,"InChI=1/C8H19NO/c1-3-5-7-9(10)8-6-4-2/h10H,3-8H2,1-2H3",C8H19NO,,,,,,PAZXUKOJTOTKBK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.154,236-485-2,13398-94-2,3-hydroxyphenethyl alcohol,3-(2-hydroxyethyl)phenol,OCCc1cccc(O)c1,OCCc1cccc(O)c1,"InChI=1/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2",C8H10O2,,,,,,AMQIPHZFLIDOCB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.158,236-489-4,13401-80-4,Vinyl hydrogen sulphate,vinyl hydrogen sulfate,OS(=O)(=O)OC=C,OS(=O)(=O)OC=C,"InChI=1/C2H4O4S/c1-2-6-7(3,4)5/h2H,1H2,(H,3,4,5)",C2H4O4S,,,,,,VEWLDLAARDMXSB-UHFFFAOYSA-N,,,,,,,,,,,
100.033.163,236-495-7,13403-01-5,"2-[2,4-bis(tert-pentyl)phenoxy]butyric acid","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoic acid",CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)O,CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)O,"InChI=1/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22)",C20H32O3,,,,,,PHCYXPLSQNMCRY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.174,236-507-0,13414-54-5,o-(2-methylallyloxy)nitrobenzene,1-[(2-methylprop-2-en-1-yl)oxy]-2-nitrobenzene,CC(=C)COc1ccccc1[N+](=O)[O-],CC(=C)COc1ccccc1[N+](=O)[O-],"InChI=1/C10H11NO3/c1-8(2)7-14-10-6-4-3-5-9(10)11(12)13/h3-6H,1,7H2,2H3",C10H11NO3,,,,,,MNMNLAJIXJLHNP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.184,236-518-0,13418-49-0,"4,11-diamino-2,3-dihydro-3-imino-2-(3-methoxypropyl)-1H-naphth[2,3-f]isoindole-1,5,10-trione","4,11-diamino-3-imino-2-(3-methoxypropyl)-2,3-dihydro-1H-naphtho[2,3-f]isoindole-1,5,10-trione",COCCCN1C(=N)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,COCCCN1C(=N)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C20H18N4O4/c1-28-8-4-7-24-19(23)13-14(20(24)27)16(22)12-11(15(13)21)17(25)9-5-2-3-6-10(9)18(12)26/h2-3,5-6,23H,4,7-8,21-22H2,1H3",C20H18N4O4,,,,,,ZCMWRFQVYXHUQN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.731,260-223-6,56496-89-0,"2,6-dimethylbenzene-1,4-diamine dihydrochloride","2,6-dimethylbenzene-1,4-diamine dihydrochloride",Cl.Cl.Cc1cc(N)cc(C)c1N,Cl.Cl.Cc1cc(N)cc(C)c1N,"InChI=1/C8H12N2.2ClH/c1-5-3-7(9)4-6(2)8(5)10;;/h3-4H,9-10H2,1-2H3;2*1H",C8H12N2.2ClH,,,,,,IALKJCXEPFRYML-UHFFFAOYSA-N,,,,,,,,,,,
100.054.744,260-237-2,56518-40-2,"5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride","5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine hydrochloride",Cl.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br,Cl.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br,"InChI=1/C13H15BrN4O2.ClH/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15;/h4-6H,3H2,1-2H3,(H4,15,16,17,18);1H",C13H15BrN4O2.xClH,,,,,,MKXLZXVWTRKRGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.747,260-240-9,56521-73-4,2-ethoxyethyl bromoacetate,2-ethoxyethyl bromoacetate,CCOCCOC(=O)CBr,CCOCCOC(=O)CBr,"InChI=1/C6H11BrO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3",C6H11BrO3,,,,,,PDBWYOYFNRASDC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.878,260-385-8,56796-66-8,"4-(benzyloxy)-a-[[tert-butylamino]methyl]-m-xylene-a,a'-diol",1-[4-(benzyloxy)-3-(hydroxymethyl)phenyl]-2-(tert-butylamino)ethanol,CC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(CO)c1,CC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(CO)c1,"InChI=1/C20H27NO3/c1-20(2,3)21-12-18(23)16-9-10-19(17(11-16)13-22)24-14-15-7-5-4-6-8-15/h4-11,18,21-23H,12-14H2,1-3H3",C20H27NO3,,,,,,ICDQPCBDGAHBGG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.884,260-392-6,56805-18-6,L-1-acetyl-5-oxoproline,1-acetyl-5-oxo-L-proline,CC(=O)N1[C@@H](CCC1=O)C(=O)O,CC(=O)N1[C@@H](CCC1=O)C(=O)O,"InChI=1/C7H9NO4/c1-4(9)8-5(7(11)12)2-3-6(8)10/h5H,2-3H2,1H3,(H,11,12)",C7H9NO4,,,,,,AYNBBSMJRSAAHP-YFKPBYRVSA-N,,,,,,,,,,,
100.036.557,240-230-0,16079-88-2,"1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione","1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(Br)C(=O)N(Cl)C1=O,CC1(C)N(Br)C(=O)N(Cl)C1=O,InChI=1/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3,C5H6BrClN2O2,,,,,,PIEXCQIOSMOEOU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.601,261-181-1,58243-08-6,(E)-3-ethoxyacrylonitrile,3-ethoxyacrylonitrile,CCO\\C=C\\C#N,CCO\C=C\C#N,"InChI=1/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3",C5H7NO,,,,,,HUPVIAINOSTNBJ-HWKANZROSA-N,,,,,,,,,,,
100.055.606,261-186-9,58249-87-9,2-[(benzoyloxy)methyl]benzoyl chloride,2-(chlorocarbonyl)benzyl benzoate,ClC(=O)c1ccccc1COC(=O)c2ccccc2,ClC(=O)c1ccccc1COC(=O)c2ccccc2,"InChI=1/C15H11ClO3/c16-14(17)13-9-5-4-8-12(13)10-19-15(18)11-6-2-1-3-7-11/h1-9H,10H2",C15H11ClO3,,,,,,UDEQFYWNFHWPRH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.608,261-189-5,58253-99-9,"2,6-bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone","1-[2,6-bis(tert-butylamino)-4-methylpyridin-3-yl]ethanone",CC(=O)c1c(C)cc(NC(C)(C)C)nc1NC(C)(C)C,CC(=O)c1c(C)cc(NC(C)(C)C)nc1NC(C)(C)C,"InChI=1/C16H27N3O/c1-10-9-12(18-15(3,4)5)17-14(13(10)11(2)20)19-16(6,7)8/h9H,1-8H3,(H2,17,18,19)",C16H27N3O,,,,,,DTTLJUGHKIRCHU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.609,261-190-0,58260-69-8,o-(1-piperazinyl)phenol dihydrobromide,2-piperazin-1-ylphenol dihydrobromide,Br.Br.Oc1ccccc1N2CCNCC2,Br.Br.Oc1ccccc1N2CCNCC2,"InChI=1/C10H14N2O.2BrH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H",C10H14N2O.2BrH,,,,,,YWZWSACJABVWJL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.613,261-194-2,58263-01-7,"(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl pyridine-3-carboxylate hydrochloride","3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl nicotinate hydrochloride",Cl.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@]46CCN3C,Cl.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@]46CCN3C,"InChI=1/C24H24N2O4.ClH/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26;/h3-8,10,13,16-17,19,22H,9,11-12H2,1-2H3;1H",C24H24N2O4.ClH,,,,,,ORUPNZYTIDBXQZ-CBXNJKKFSA-N,,,,,,,,,,,
100.055.621,261-204-5,58302-43-5,Sodium bis[4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]benzenesulphonamidato(2-)]cobaltate(1-),sodium [4-(hydroxy-kappaO)-3-{[2-(hydroxy-kappaO)-1-naphthyl]diazenyl}benzenesulfonamidato(2-)][4-hydroxy-3-{[2-(hydroxy-kappaO)-1-naphthyl]diazenyl}benzenesulfonamidato(2-)]cobaltate(1-),NS(=O)(=O)c1ccc(O[Na])c(c1)N=Nc2c(O[Co]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)S(=O)(=O)N)ccc7ccccc27,NS(=O)(=O)c1ccc(O[Na])c(c1)N=Nc2c(O[Co]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)S(=O)(=O)N)ccc7ccccc27,"InChI=1/2C16H13N3O4S.Co.Na/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H,(H2,17,22,23);;/q;;+3;+1/p-4",C32H22CoN6O8S2.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17535,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.621,PHQDZULYJVQNFM-UHFFFAOYSA-J,,,,,,,,,,,
100.058.678,264-565-7,63936-56-1,Pentabromo(tetrabromophenoxy)benzene,"1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene",Brc1cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,Brc1cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,InChI=1/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H,C12HBr9O,,,,,,CYRHBNRLQMLULE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.680,264-567-8,63938-10-3,Chlorotetrafluoroethane,"2-chloro-1,1,1,2-tetrafluoroethane",FC(Cl)C(F)(F)F,FC(Cl)C(F)(F)F,"InChI=1/C2HClF4/c3-1(4)2(5,6)7/h1H",C2HClF4,,,,,,BOUGCJDAQLKBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.682,264-569-9,63939-08-2,"Silicic acid, aluminum silver salt",-,[Al+3].[Ag+].[O-][Si](=O)[O-],[Al+3].[Ag+].[O-][Si](=O)[O-],InChI=1/Ag.Al.O3Si/c;;1-4(2)3/q+1;+3;-2,-,,,,,,XDGUQUQFYYURQI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.685,264-573-0,63949-17-7,2-methyl-N-[3-[(1-methylethyl)amino]propyl]acrylamide,N-[3-(isopropylamino)propyl]-2-methylacrylamide,CC(C)NCCCNC(=O)C(=C)C,CC(C)NCCCNC(=O)C(=C)C,"InChI=1/C10H20N2O/c1-8(2)10(13)12-7-5-6-11-9(3)4/h9,11H,1,5-7H2,2-4H3,(H,12,13)",C10H20N2O,,,,,,HSJUCVMTRAUTNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.691,264-579-3,63957-61-9,"2,2'-[[(2-chlorophenyl)methylene]bis[(2,5-dimethyl-4,1-phenylene)azo]]bis[p-cresol]","2,2'-{[(2-chlorophenyl)methylene]bis[(2,5-dimethyl-4,1-phenylene)diazene-2,1-diyl]}bis(4-methylphenol)",Clc5ccccc5C(c2cc(C)c(N=Nc1cc(C)ccc1O)cc2C)c4cc(C)c(N=Nc3cc(C)ccc3O)cc4C,Clc5ccccc5C(c2cc(C)c(N=Nc1cc(C)ccc1O)cc2C)c4cc(C)c(N=Nc3cc(C)ccc3O)cc4C,"InChI=1/C37H35ClN4O2/c1-21-11-13-35(43)33(15-21)41-39-31-19-23(3)28(17-25(31)5)37(27-9-7-8-10-30(27)38)29-18-26(6)32(20-24(29)4)40-42-34-16-22(2)12-14-36(34)44/h7-20,37,43-44H,1-6H3",C37H35ClN4O2,,,,,,KAXXSZSUIBJXTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.693,264-581-4,63963-55-3,"1,1'-methylenebis(2-methylpiperidine)","1,1'-methylenebis(2-methylpiperidine)",CC1CCCCN1CN2CCCCC2C,CC1CCCCN1CN2CCCCC2C,"InChI=1/C13H26N2/c1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2/h12-13H,3-11H2,1-2H3",C13H26N2,,,,,,LDMRWZAGEZWQBV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.697,264-586-1,63973-99-9,Ethyl (3ß-acetoxy-17-azido-16a-hydroxypregn-5-en-20-ylidene)carbazate,ethyl 2-(3-acetoxy-17-azido-16-hydroxypregn-5-en-20-ylidene)hydrazinecarboxylate,CC(=O)O[C@@H]3C\\C4=C\\C[C@@H]2[C@H](CC[C@@]1(C)[C@H]2C[C@@H](O)[C@]1(\\N=[N+]=[N-])C(C)=NNC(=O)OCC)[C@@]4(C)CC3,CC(=O)O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@@]1(C)[C@H]2C[C@@H](O)[C@]1(\N=[N+]=[N-])C(C)=NNC(=O)OCC)[C@@]4(C)CC3,"InChI=1/C26H39N5O5/c1-6-35-23(34)29-28-15(2)26(30-31-27)22(33)14-21-19-8-7-17-13-18(36-16(3)32)9-11-24(17,4)20(19)10-12-25(21,26)5/h7,18-22,33H,6,8-14H2,1-5H3,(H,29,34)",C26H39N5O5,,,,,,MCZQQHKOLGEDPS-AFQNBYTLSA-N,,,,,,,,,,,
100.033.217,236-554-7,13432-25-2,"2,4-dimethylhexan-3-ol","2,4-dimethylhexan-3-ol",CCC(C)C(O)C(C)C,CCC(C)C(O)C(C)C,"InChI=1/C8H18O/c1-5-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3",C8H18O,,,,,,UCRQJBCLZKHOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.221,236-558-9,13433-10-8,N-L-ß-aspartyl-3-phenyl-L-alanine,D-beta-aspartyl-L-phenylalanine,N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,"InChI=1/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20)",C13H16N2O5,,,,,,KDGAYJIGGCDHPH-UWVGGRQHSA-N,,,,,,,,,,,
100.033.222,236-559-4,13433-92-6,"Tris(2,3-dibromopropyl) antimonate","tris(2,3-dibromopropyl) antimonate",BrCC(Br)CO[Sb](=O)(OCC(Br)CBr)OCC(Br)CBr,BrCC(Br)CO[Sb](=O)(OCC(Br)CBr)OCC(Br)CBr,"InChI=1/3C3H5Br2O.O.Sb/c3*4-1-3(5)2-6;;/h3*3H,1-2H2;;/q3*-1;;+3/rC9H15Br6O4Sb/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2",C9H15Br6O3Sb,,,,,,RDQQCTFBXVAJSF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.223,236-561-5,13434-00-9,"2-ethylhexyl [1R-(1a,4aß,4ba,10aa)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate","2-ethylhexyl abieta-7,13-dien-18-oate",CCCCC(CC)COC(=O)C1(C)CCCC2(C)C3CCC(=CC3=CCC12)C(C)C,CCCCC(CC)COC(=O)C1(C)CCCC2(C)C3CCC(=CC3=CCC12)C(C)C,"InChI=1/C28H46O2/c1-7-9-11-21(8-2)19-30-26(29)28(6)17-10-16-27(5)24-14-12-22(20(3)4)18-23(24)13-15-25(27)28/h13,18,20-21,24-25H,7-12,14-17,19H2,1-6H3",C28H46O2,,,,,,NOOLKHUGCQHDQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.225,236-563-6,13435-05-7,"5,5,9,9-tetrabutyl-7-[(tributylstannyl)oxy]-6,8-dioxa-7-phospha-5,9-distannatridecane 7-oxide","5,5,9,9-tetrabutyl-7-[(tributylstannyl)oxy]-6,8-dioxa-7-phospha-5,9-distannatridecane 7-oxide",CCCC[Sn](CCCC)(CCCC)OP(=O)(O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OP(=O)(O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/9C4H9.H3O4P.3Sn/c9*1-3-4-2;1-5(2,3)4;;;/h9*1,3-4H2,2H3;(H3,1,2,3,4);;;/q;;;;;;;;;;3*+1/p-3/rC36H81O4PSn3/c1-10-19-28-42(29-20-11-2,30-21-12-3)38-41(37,39-43(31-22-13-4,32-23-14-5)33-24-15-6)40-44(34-25-16-7,35-26-17-8)36-27-18-9/h10-36H2,1-9H3",C36H81O4PSn3,,,,,,RZEWQIHMSVDERH-UHFFFAOYSA-K,,,,,,,,,,,
100.033.227,236-565-7,13435-12-6,N-(trimethylsilyl)acetamide,N-(trimethylsilyl)acetamide,CC(=O)N[Si](C)(C)C,CC(=O)N[Si](C)(C)C,"InChI=1/C5H13NOSi/c1-5(7)6-8(2,3)4/h1-4H3,(H,6,7)",C5H13NOSi,,,,,,LWFWUJCJKPUZLV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.231,236-569-9,13436-46-9,2-hydroxytetrahydrofuran,tetrahydrofuran-2-ol,OC1CCCO1,OC1CCCO1,"InChI=1/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2",C6H12O2,,,,,,JNODDICFTDYODH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.903,260-412-3,56875-02-6,Methyl (isobutyl)carbamate,methyl isobutylcarbamate,COC(=O)NCC(C)C,COC(=O)NCC(C)C,"InChI=1/C6H13NO2/c1-5(2)4-7-6(8)9-3/h5H,4H2,1-3H3,(H,7,8)",C6H13NO2,,,,,,XHNVYMUDGCGQLT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.904,260-413-9,56875-23-1,"2-azido-N,N-dimethylpropionamide","2-azido-N,N-dimethylpropanamide",CC(N=[N+]=[N-])C(=O)N(C)C,CC(N=[N+]=[N-])C(=O)N(C)C,"InChI=1/C5H10N4O/c1-4(7-8-6)5(10)9(2)3/h4H,1-3H3",C5H10N4O,,,,,,JXWBAUHDVUDOLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.906,260-416-5,56878-25-2,"2,5-dihydro-2-methyl-5-oxo-3-phenylisoxazole-4-carbaldehyde","2-methyl-5-oxo-3-phenyl-2,5-dihydroisoxazole-4-carbaldehyde",CN1OC(=O)C(=C1c2ccccc2)C=O,CN1OC(=O)C(=C1c2ccccc2)C=O,"InChI=1/C11H9NO3/c1-12-10(8-5-3-2-4-6-8)9(7-13)11(14)15-12/h2-7H,1H3",C11H9NO3,,,,,,REFHEJODAIDWGH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.927,260-439-0,56922-74-8,(E)-hex-2-enyl valerate,hex-2-en-1-yl valerate,CCCCC(=O)OC\\C=C\\CCC,CCCCC(=O)OC\C=C\CCC,"InChI=1/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3",C11H20O2,,,,,,WDXAMNXWZLXISB-BQYQJAHWSA-N,,,,,,,,,,,
100.054.929,260-441-1,56922-79-3,(Z)-hex-2-enyl hexanoate,hex-2-en-1-yl hexanoate,CCCCCC(=O)OC\\C=C/CCC,CCCCCC(=O)OC\C=C/CCC,"InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3",C12H22O2,,,,,,UQPLEMTXCSYMEK-CLFYSBASSA-N,,,,,,,,,,,
100.054.933,260-445-3,56922-88-4,1-(1-cyclohexenyl)-2-methylpropan-1-one,1-cyclohex-1-en-1-yl-2-methylpropan-1-one,CC(C)C(=O)C1=CCCCC1,CC(C)C(=O)C1=CCCCC1,"InChI=1/C10H16O/c1-8(2)10(11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3",C10H16O,,,,,,CZUHTUVRLZFIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.941,260-454-2,56935-85-4,"3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate","3-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",[O-]S(=O)(=O)OC.CCN(CC)c1ccc(cc1)N=N\\C2=N\\[NH+](C)CN2C,[O-]S(=O)(=O)OC.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C,"InChI=1/C14H22N6.CH4O4S/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-5-6(2,3)4/h7-10H,5-6,11H2,1-4H3;1H3,(H,2,3,4)",C14H21N6.CH3O4S,,,,,,PORYPSLRNIVJCL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.001,251-717-2,33885-51-7,"6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-propionaldehyde","3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)propanal",CC1(C)C2CC=C(CCC=O)C1C2,CC1(C)C2CC=C(CCC=O)C1C2,"InChI=1/C12H18O/c1-12(2)10-6-5-9(4-3-7-13)11(12)8-10/h5,7,10-11H,3-4,6,8H2,1-2H3",C12H18O,,,,,,DDFGFKGJBOILQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.005,251-721-4,33889-85-9,"(1a,2ß,5a)-2',2'-dichloro-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]","2',2'-dichloro-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,1'-cyclopropane]",CC1(C)[C@H]2CC[C@@]3(CC3(Cl)Cl)[C@@H]1C2,CC1(C)[C@H]2CC[C@@]3(CC3(Cl)Cl)[C@@H]1C2,"InChI=1/C11H16Cl2/c1-9(2)7-3-4-10(8(9)5-7)6-11(10,12)13/h7-8H,3-6H2,1-2H3",C11H16Cl2,,,,,,UUPDOKKQMUDIQL-QXFUBDJGSA-N,,,,,,,,,,,
100.047.010,251-727-7,33898-93-0,2-(N-ethylanilino)ethyl carbanilate,2-[ethyl(phenyl)amino]ethyl phenylcarbamate,CCN(CCOC(=O)Nc1ccccc1)c2ccccc2,CCN(CCOC(=O)Nc1ccccc1)c2ccccc2,"InChI=1/C17H20N2O2/c1-2-19(16-11-7-4-8-12-16)13-14-21-17(20)18-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,18,20)",C17H20N2O2,,,,,,HCTKHJQOFVNFCC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.012,251-729-8,33899-51-3,"2-(3-pentadecylphenoxy)ethyl [4-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]carbamate","2-(3-pentadecylphenoxy)ethyl (4-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)carbamate",CCCCCCCCCCCCCCCc1cccc(OCCOC(=O)Nc2ccc(NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)cc2)c1,CCCCCCCCCCCCCCCc1cccc(OCCOC(=O)Nc2ccc(NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)cc2)c1,"InChI=1/C39H49Cl3N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-29-17-15-18-33(25-29)49-23-24-50-39(48)44-32-21-19-31(20-22-32)43-36-28-37(47)46(45-36)38-34(41)26-30(40)27-35(38)42/h15,17-22,25-27H,2-14,16,23-24,28H2,1H3,(H,43,45)(H,44,48)",C39H49Cl3N4O4,,,,,,RLZCJKPEVBDVNT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.013,251-730-3,33903-70-7,"Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, disodium salt","Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, disodium salt",[Na+].[Na+].C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,[Na+].[Na+].C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,"InChI=1/C21H27O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-15,18,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1",C21H27O8P.2Na,,,,,,JOGWEWVSRLYXFJ-PWEPTXNASA-N,,,,,,,,,,,
100.047.025,251-743-4,33924-48-0,Methyl 5-chloro-2-methoxybenzoate,methyl 5-chloro-2-methoxybenzoate,COC(=O)c1cc(Cl)ccc1OC,COC(=O)c1cc(Cl)ccc1OC,"InChI=1/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3",C9H9ClO3,,,,,,HPTHYBXMNNGQEF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.035,251-754-4,33943-47-4,Dilithium dihydrogen diphosphate,dilithium dihydrogen diphosphate,[Li+].[Li+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Li+].[Li+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2Li.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+1;;/p-6",H4O7P2.2Li,,,,,,COEVLFGDKLMXQO-UHFFFAOYSA-H,,,,,,,,,,,
100.047.040,251-760-7,33956-01-3,"N-(1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl)-2-(3-pentadecylphenoxy)butyramide","N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxopyrazolidin-3-ylidene]-2-(3-pentadecylphenoxy)butanamide",CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)N=C2CC(=O)N(N2)c3c(C)cc(C)cc3Cl)c1,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)N=C2CC(=O)N(N2)c3c(C)cc(C)cc3Cl)c1,"InChI=1/C36H52ClN3O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-29-21-19-22-30(25-29)43-32(6-2)36(42)38-33-26-34(41)40(39-33)35-28(4)23-27(3)24-31(35)37/h19,21-25,32H,5-18,20,26H2,1-4H3,(H,38,39,42)",C36H52ClN3O3,,,,,,YVJFRAPRCAGGMR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.274,267-422-7,67859-74-9,Bis(2-ethylhexyl) nonylphenyl phosphite,bis(2-ethylhexyl) 2-nonylphenyl phosphite,CCCCCCCCCc1ccccc1OP(OCC(CC)CCCC)OCC(CC)CCCC,CCCCCCCCCc1ccccc1OP(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1/C31H57O3P/c1-6-11-14-15-16-17-18-23-30-24-19-20-25-31(30)34-35(32-26-28(9-4)21-12-7-2)33-27-29(10-5)22-13-8-3/h19-20,24-25,28-29H,6-18,21-23,26-27H2,1-5H3",C31H57O3P,,,,,,JWLNMCQYIVCBPP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.281,267-430-0,67859-96-5,"3,3,5-trimethylcyclohexyl acetate","3,3,5-trimethylcyclohexyl acetate",CC1CC(CC(C)(C)C1)OC(=O)C,CC1CC(CC(C)(C)C1)OC(=O)C,"InChI=1/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3",C11H20O2,,,,,,OIVWFAFCHQDCCG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.286,267-435-8,67860-01-9,2-methyl-4-oxo-4H-pyran-3-yl butyrate,2-methyl-4-oxo-4H-pyran-3-yl butyrate,CCCC(=O)OC1=C(C)OC=CC1=O,CCCC(=O)OC1=C(C)OC=CC1=O,"InChI=1/C10H12O4/c1-3-4-9(12)14-10-7(2)13-6-5-8(10)11/h5-6H,3-4H2,1-2H3",C10H12O4,,,,,,IBRABNUUJKNXOB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.289,267-438-4,67860-04-2,Heptadecyloxirane,2-heptadecyloxirane,CCCCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCCCC1CO1,"InChI=1/C19H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20-19/h19H,2-18H2,1H3",C19H38O,,,,,,CEUXMUYHMURJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.290,267-440-5,67860-05-3,Propylene bis[3-octyloxiran-2-octanoate],"propane-1,2-diyl bis[8-(3-octyloxiran-2-yl)octanoate]",CCCCCCCCC1OC1CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC2OC2CCCCCCCC,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC2OC2CCCCCCCC,"InChI=1/C39H72O6/c1-4-6-8-10-14-20-26-34-36(44-34)28-22-16-12-18-24-30-38(40)42-32-33(3)43-39(41)31-25-19-13-17-23-29-37-35(45-37)27-21-15-11-9-7-5-2/h33-37H,4-32H2,1-3H3",C39H72O6,,,,,,GQIQPZPZQNIQGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.564,240-237-9,16083-87-7,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl acrylate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl acrylate",OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H9F27O3/c1-2-6(48)49-4-5(47)3-7(20,21)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)16(37,38)14(33,34)12(29,30)10(25,26)8(22,18(41,42)43)19(44,45)46/h2,5,47H,1,3-4H2",C19H9F27O3,,,,,,KFXCWKVNSWWAAO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.585,240-260-4,16096-31-4,"1,6-bis(2,3-epoxypropoxy)hexane","2,2'-[hexane-1,6-diylbis(oxymethylene)]dioxirane",C(CCCOCC1CO1)CCOCC2CO2,C(CCCOCC1CO1)CCOCC2CO2,"InChI=1/C12H22O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h11-12H,1-10H2",C12H22O4,,,,,,WTYYGFLRBWMFRY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.586,240-262-5,16096-32-5,4-methylindole,4-methyl-1H-indole,Cc1cccc2[nH]ccc12,Cc1cccc2[nH]ccc12,"InChI=1/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3",C9H9N,,,,,,PZOUSPYUWWUPPK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.574,233-645-3,10290-37-6,"3-(2,3-dichlorophenyl)-1,1-dimethylurea","3-(2,3-dichlorophenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1cccc(Cl)c1Cl,CN(C)C(=O)Nc1cccc(Cl)c1Cl,"InChI=1/C9H10Cl2N2O/c1-13(2)9(14)12-7-5-3-4-6(10)8(7)11/h3-5H,1-2H3,(H,12,14)",C9H10Cl2N2O,,,,,,ZVPQMESWKIQHGS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.579,233-651-6,10291-28-8,"2,5-bis(p-toluidino)terephthalic acid","2,5-bis[(4-methylphenyl)amino]terephthalic acid",Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(C)cc3)cc2C(=O)O)cc1,Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(C)cc3)cc2C(=O)O)cc1,"InChI=1/C22H20N2O4/c1-13-3-7-15(8-4-13)23-19-11-18(22(27)28)20(12-17(19)21(25)26)24-16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)",C22H20N2O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1193,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.579,FVLUGNOOEZYDNV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.601,233-675-7,10300-69-3,2-chloroacetamidine monohydrochloride,2-chloroethanimidamide hydrochloride,Cl.NC(=N)CCl,Cl.NC(=N)CCl,"InChI=1/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H",C2H5ClN2.ClH,,,,,,GUPOZVHRTJYZCX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.604,233-678-3,10304-16-2,3-thietan-1-ol,thietan-3-ol,OC1CSC1,OC1CSC1,"InChI=1/C3H6OS/c4-3-1-5-2-3/h3-4H,1-2H2",C3H6OS,,,,,,YCGJWFCBFZPGJK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.610,233-685-1,10309-97-4,o-hydroxyphenyl methylcarbamate,2-hydroxyphenyl methylcarbamate,CNC(=O)Oc1ccccc1O,CNC(=O)Oc1ccccc1O,"InChI=1/C8H9NO3/c1-9-8(11)12-7-5-3-2-4-6(7)10/h2-5,10H,1H3,(H,9,11)",C8H9NO3,,,,,,CEHPRGMPLPBMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.186,236-520-1,13419-10-8,(hexadecanoato-O)oxoaluminium,(hexadecanoato-kappaO)(oxo)aluminum,CCCCCCCCCCCCCCCC(=O)O[Al]=O,CCCCCCCCCCCCCCCC(=O)O[Al]=O,"InChI=1/C16H32O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2-15H2,1H3,(H,17,18);;/q;+1;/p-1/rC16H31AlO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)20-17-19/h2-15H2,1H3",C16H31AlO3,,,,,,BLFLAXWCJFYPPR-UHFFFAOYSA-M,,,,,,,,,,,
100.033.188,236-522-2,13419-37-9,Potassium tetradecyl sulphate,potassium tetradecyl sulfate,[K+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],[K+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C14H30O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",C14H30O4S.K,,,,,,DQFWABVCOIFBPO-UHFFFAOYSA-M,,,,,,,,,,,
100.033.196,236-531-1,13421-53-9,"Disodium 4,6-dihydroxy-3-[[4-[1-[4-[[1-hydroxy-7-[(phenylsulphonyl)oxy]-3-sulphonato-2-naphthyl]azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-2-sulphonate","disodium 3-{[4-(1-{4-[(1,7-dihydroxy-3-sulfonato-2-naphthyl)diazenyl]phenyl}cyclohexyl)phenyl]diazenyl}-4-hydroxy-6-[(phenylsulfonyl)oxy]naphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c8cc1ccc(O)cc1c(O)c8N=Nc2ccc(cc2)C3(CCCCC3)c7ccc(N=Nc6c(cc5ccc(OS(=O)(=O)c4ccccc4)cc5c6O)S([O-])(=O)=O)cc7,[Na+].[Na+].[O-]S(=O)(=O)c8cc1ccc(O)cc1c(O)c8N=Nc2ccc(cc2)C3(CCCCC3)c7ccc(N=Nc6c(cc5ccc(OS(=O)(=O)c4ccccc4)cc5c6O)S([O-])(=O)=O)cc7,"InChI=1/C44H36N4O12S3.2Na/c49-33-19-9-27-23-38(61(52,53)54)40(42(50)36(27)25-33)47-45-31-15-11-29(12-16-31)44(21-5-2-6-22-44)30-13-17-32(18-14-30)46-48-41-39(62(55,56)57)24-28-10-20-34(26-37(28)43(41)51)60-63(58,59)35-7-3-1-4-8-35;;/h1,3-4,7-20,23-26,49-51H,2,5-6,21-22H2,(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2",C44H36N4O12S3.2Na,,,,,,DLMKCDGEDBPAFO-UHFFFAOYSA-L,,,,,,,,,,,
100.033.197,236-532-7,13421-85-7,Zirconium(4+) 2-methylpropanolate,zirconium(4+) tetrakis(2-methylpropan-1-olate),[Zr+4].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-],[Zr+4].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-],"InChI=1/4C4H9O.Zr/c4*1-4(2)3-5;/h4*4H,3H2,1-2H3;/q4*-1;+4",C4H10O.1/4Zr,,,,,,YMJMHACKPJBWMC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.208,236-544-2,13425-39-3,"2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate","2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl nicotinate",CN1C(=O)N(C)c2ncn(CCOC(=O)c3cccnc3)c2C1=O,CN1C(=O)N(C)c2ncn(CCOC(=O)c3cccnc3)c2C1=O,"InChI=1/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3",C15H15N5O4,,,,,,ZWIAODBBEZGVPY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.705,264-595-0,63991-20-8,a-[1-[(2-hydroxyethyl)amino]ethyl]benzyl alcohol hydrochloride,2-[(2-hydroxyethyl)amino]-1-phenylpropan-1-ol hydrochloride,Cl.CC(NCCO)C(O)c1ccccc1,Cl.CC(NCCO)C(O)c1ccccc1,"InChI=1/C11H17NO2.ClH/c1-9(12-7-8-13)11(14)10-5-3-2-4-6-10;/h2-6,9,11-14H,7-8H2,1H3;1H",C11H17NO2.ClH,,,,,,YGIPNGHJLVOBQO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.710,264-600-6,64012-04-0,"Decanoic acid, compound with 1-aminopropan-2-ol (1:1)",decanoic acid - 1-aminopropan-2-ol (1:1),CCCCCCCCCC(=O)O.CC(O)CN,CCCCCCCCCC(=O)O.CC(O)CN,"InChI=1/C10H20O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-3(5)2-4/h2-9H2,1H3,(H,11,12);3,5H,2,4H2,1H3",C10H20O2.C3H9NO,,,,,,XXOPKUIPDUCOSI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.716,264-606-9,64018-25-3,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl chloride","8-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCl,"InChI=1/C8H4ClF13/c9-2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2",C8H2ClF13O,,,,,,TYIZCYGZKIZQIH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.717,264-607-4,64018-26-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecanoyl chloride","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecanoyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)Cl,"InChI=1/C12H2ClF21O/c13-2(35)1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1H2",C12H2ClF21O,,,,,,DYTUUAFTUFQJQV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.620,266-702-6,67492-83-5,"2,4,4-trimethyl-2-phosphonoadipic acid","2,4,4-trimethyl-2-phosphonohexanedioic acid",CC(C)(CC(=O)O)CC(C)(C(=O)O)P(=O)(O)O,CC(C)(CC(=O)O)CC(C)(C(=O)O)P(=O)(O)O,"InChI=1/C9H17O7P/c1-8(2,4-6(10)11)5-9(3,7(12)13)17(14,15)16/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H2,14,15,16)",C9H17O7P,,,,,,XDYZFFJMIHMPAG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.621,266-703-1,67492-84-6,"2,2,4-trimethyl-4-phosphonoadipic acid","2,2,4-trimethyl-4-phosphonohexanedioic acid",CC(C)(CC(C)(CC(=O)O)P(=O)(O)O)C(=O)O,CC(C)(CC(C)(CC(=O)O)P(=O)(O)O)C(=O)O,"InChI=1/C9H17O7P/c1-8(2,7(12)13)5-9(3,4-6(10)11)17(14,15)16/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H2,14,15,16)",C9H17O7P,,,,,,NRKRINAWCRQMBX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.384,260-942-5,57775-22-1,"2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one monohydrochloride","2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride",Cl.CCN1C(=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C1=O)CC,Cl.CCN1C(=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C1=O)CC,"InChI=1/C19H28ClN5O.ClH/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17;/h5,7-8,15H,3-4,6,9-14H2,1-2H3;1H",C19H28ClN5O.ClH,,,,,,BHKPQZVLIZKSAG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.393,260-951-4,57781-14-3,"2-bromo-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","2-bromo-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br)OC(=O)C,"InChI=1/C25H29BrF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3",C25H29BrF2O7,,,,,,YCISZOVUHXIOFY-HKXOFBAYSA-N,,,,,,,,,,,
100.055.400,260-959-8,57781-61-0,"2-bromo-9,11ß-dichloro-6ß-fluoro-17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)","2-bromo-9,11-dichloro-6-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br,"InChI=1/C26H30BrCl2FO6/c1-12-6-15-16-7-19(30)17-8-20(33)18(27)9-23(17,4)25(16,29)21(28)10-24(15,5)26(12,36-14(3)32)22(34)11-35-13(2)31/h8-9,12,15-16,19,21H,6-7,10-11H2,1-5H3",C26H30BrCl2FO6,,,,,,CAPJXOFUERKRLV-NHWDUKQOSA-N,,,,,,,,,,,
100.055.402,260-961-9,57784-11-9,"(±)-2,6-dimethyloct-7-ene-2,6-diol","2,6-dimethyloct-7-ene-2,6-diol",CC(C)(O)CCCC(C)(O)C=C,CC(C)(O)CCCC(C)(O)C=C,"InChI=1/C10H20O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5,11-12H,1,6-8H2,2-4H3",C10H20O2,,,,,,SRPFYGUVQUDURC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.003,267-123-1,67801-02-9,Calcium bis[6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonate],calcium bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate},[Ca+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O.Oc3ccc1ccccc1c3N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O,[Ca+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O.Oc3ccc1ccccc1c3N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O,"InChI=1/2C17H13ClN2O4S.Ca/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",C17H13ClN2O4S.1/2Ca,,,,,,FEMQUTBNUMVBBI-UHFFFAOYSA-L,,,,,,,,,,,
100.036.600,240-277-7,16109-97-0,"Hydrogen [4-[4-(diethylamino)-a-(3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium","4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-],CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C31H34N2O6S2/c1-5-32(6-2)25-13-9-22(10-14-25)31(23-11-15-26(16-12-23)33(7-3)8-4)30-21-28(41(37,38)39)20-24-19-27(40(34,35)36)17-18-29(24)30/h9-21H,5-8H2,1-4H3,(H-,34,35,36,37,38,39)/p-1",C31H34N2O6S2,,,,,,FBOFCSLSBCNGMH-UHFFFAOYSA-M,,,,,,,,,,,
100.036.601,240-278-2,16110-09-1,"2,5-dichloropyridine","2,5-dichloropyridine",Clc1ccc(Cl)nc1,Clc1ccc(Cl)nc1,InChI=1/C5H3Cl2N/c6-4-1-2-5(7)8-3-4/h1-3H,C5H3Cl2N,,,,,,GCTFDMFLLBCLPF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.603,240-280-3,16110-89-7,"N-(4,6-dichloro-1,3,5-triazin-2-yl)sulphanilic acid","4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid",OS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,OS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,"InChI=1/C9H6Cl2N4O3S/c10-7-13-8(11)15-9(14-7)12-5-1-3-6(4-2-5)19(16,17)18/h1-4H,(H,16,17,18)(H,12,13,14,15)",C9H6Cl2N4O3S,,,,,,JDBGDMZILOWAHV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.606,240-284-5,16115-80-3,Dimethyl aminomalonate hydrochloride,dimethyl aminomalonate hydrochloride,Cl.COC(=O)C(N)C(=O)OC,Cl.COC(=O)C(N)C(=O)OC,"InChI=1/C5H9NO4.ClH/c1-9-4(7)3(6)5(8)10-2;/h3H,6H2,1-2H3;1H",C5H9NO4.ClH,,,,,,QWNDKNJSEWOEDM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.609,240-287-1,16119-56-5,"21-hydroxy-2'-methyl-16-ß-5'H-pregna-1,4,9(11)-trieno[17,16-d]oxazole-3,20-dione 21-acetate","2-oxo-2-(4a,6a,8-trimethyl-2-oxo-2,4a,6,6a,9a,10,10a,10b,11,12-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl)ethyl acetate",CC(=O)OCC(=O)C12N=C(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4=CCC23C,CC(=O)OCC(=O)C12N=C(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4=CCC23C,"InChI=1/C25H29NO5/c1-14-26-25(21(29)13-30-15(2)27)22(31-14)12-20-18-6-5-16-11-17(28)7-9-23(16,3)19(18)8-10-24(20,25)4/h7-9,11,18,20,22H,5-6,10,12-13H2,1-4H3",C25H29NO5,,,,,,WMPWEDBGNZYKAO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.612,240-290-8,16128-68-0,"Butane-1,2-dithiol","butane-1,2-dithiol",CCC(S)CS,CCC(S)CS,"InChI=1/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3",C4H10S2,,,,,,LFTMJBWNOFFSRW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.613,240-291-3,16130-76-0,Calcium terephthalate,calcium terephthalate,[Ca+2].[O-]C(=O)c1ccc(cc1)C(=O)[O-],[Ca+2].[O-]C(=O)c1ccc(cc1)C(=O)[O-],"InChI=1/C8H6O4.Ca/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2",C8H6O4.xCa,,,,,,AAEHPKIXIIACPQ-UHFFFAOYSA-L,,,,,,,,,,,
100.036.615,240-293-4,16133-49-6,5methoxy-2-nitroaniline,5-methoxy-2-nitroaniline,COc1ccc(c(N)c1)N(=O)=O,COc1ccc(c(N)c1)N(=O)=O,"InChI=1/C7H8N2O3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3",C7H8N2O3,,,,,,QEHVRGACCVLLNN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.127,241-956-0,18044-51-4,"6-ethyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane","6-ethyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane",CC[Si](OCCOC)(OCCOC)OCCOC,CC[Si](OCCOC)(OCCOC)OCCOC,"InChI=1/C11H26O6Si/c1-5-18(15-9-6-12-2,16-10-7-13-3)17-11-8-14-4/h5-11H2,1-4H3",C11H26O6Si,,,,,,FORHPIYYTQZPDW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.128,241-957-6,18045-52-8,17ß-hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one,17-hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one,O=C3CC4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)CC3=CO,O=C3CC4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)CC3=CO,"InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3",C21H32O3,,,,,,ICMWWNHDUZJFDW-WRHLTIRBSA-N,,,,,,,,,,,
100.038.130,241-959-7,18048-06-1,Diethyl [2-(diethoxymethylsilyl)ethyl]phosphonate,diethyl {2-[diethoxy(methyl)silyl]ethyl}phosphonate,CCO[Si](C)(CCP(=O)(OCC)OCC)OCC,CCO[Si](C)(CCP(=O)(OCC)OCC)OCC,"InChI=1/C11H27O5PSi/c1-6-13-17(12,14-7-2)10-11-18(5,15-8-3)16-9-4/h6-11H2,1-5H3",C11H27O5PSi,,,,,,UTDZETSWQLQWER-UHFFFAOYSA-N,,,,,,,,,,,
100.038.131,241-960-2,18048-85-6,5'-O-(triphenylmethyl)adenosine,9-(5-O-tritylpentofuranosyl)-9H-purin-6-amine,Nc1ncnc2c1ncn2C3OC(COC(c4ccccc4)(c5ccccc5)c6ccccc6)C(O)C3O,Nc1ncnc2c1ncn2C3OC(COC(c4ccccc4)(c5ccccc5)c6ccccc6)C(O)C3O,"InChI=1/C29H27N5O4/c30-26-23-27(32-17-31-26)34(18-33-23)28-25(36)24(35)22(38-28)16-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22,24-25,28,35-36H,16H2,(H2,30,31,32)",C29H27N5O4,,,,,,UKCBMOADKGIZCV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.137,241-967-0,18053-44-6,4-[[[(2-amino-6-chlorophenyl)methyl]methylamino]acetyl]morpholine,3-chloro-2-{[methyl(2-morpholin-4-yl-2-oxoethyl)amino]methyl}aniline,CN(CC(=O)N1CCOCC1)Cc2c(N)cccc2Cl,CN(CC(=O)N1CCOCC1)Cc2c(N)cccc2Cl,"InChI=1/C14H20ClN3O2/c1-17(9-11-12(15)3-2-4-13(11)16)10-14(19)18-5-7-20-8-6-18/h2-4H,5-10,16H2,1H3",C14H20ClN3O2,,,,,,XOVFORNMFWVHSY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.618,233-694-0,10315-03-4,1-(4-phenylpiperidin-4-yl)ethan-1-one hydrochloride,1-(4-phenylpiperidin-4-yl)ethanone hydrochloride,Cl.CC(=O)C1(CCNCC1)c2ccccc2,Cl.CC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C13H17NO.ClH/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12;/h2-6,14H,7-10H2,1H3;1H",C13H17NO.ClH,,,,,,JYDHZOIDIWUHDB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.623,233-699-8,10318-38-4,"2-methyl-3,3'-spirobi[3H-naphtho[2,1-b]pyran]","2-methyl-3,3'-spirobi[benzo[f]chromene]",CC1=Cc2c(OC13Oc4ccc5ccccc5c4C=C3)ccc6ccccc26,CC1=Cc2c(OC13Oc4ccc5ccccc5c4C=C3)ccc6ccccc26,"InChI=1/C26H18O2/c1-17-16-23-21-9-5-3-7-19(21)11-13-25(23)28-26(17)15-14-22-20-8-4-2-6-18(20)10-12-24(22)27-26/h2-16H,1H3",C26H18O2,,,,,,UDFAHPRGDYRYPU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.292,267-442-6,67870-16-0,Sodium pyridine-2-acetate,sodium pyridin-2-ylacetate,[Na+].[O-]C(=O)Cc1ccccn1,[Na+].[O-]C(=O)Cc1ccccn1,"InChI=1/C7H7NO2.Na/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);/q;+1/p-1",C7H7NO2.Na,,,,,,KHFHYDOQKHFOLU-UHFFFAOYSA-M,,,,,,,,,,,
100.061.299,267-449-4,67874-04-8,"2-(hydroxymethyl)-2-[[(1-oxododecyl)oxy]methyl]propane-1,3-diyl dilaurate",3-(dodecanoyloxy)-2-[(dodecanoyloxy)methyl]-2-(hydroxymethyl)propyl laurate (non-preferred name),CCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,"InChI=1/C41H78O7/c1-4-7-10-13-16-19-22-25-28-31-38(43)46-35-41(34-42,36-47-39(44)32-29-26-23-20-17-14-11-8-5-2)37-48-40(45)33-30-27-24-21-18-15-12-9-6-3/h42H,4-37H2,1-3H3",C41H78O7,,,,,,CYCUQBHCRPDWQM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.301,267-452-0,67874-08-2,"1-[2-[(2-cyanoethyl)(1-oxodocosyl)amino]ethyl]-2-henicosyl-4,5-dihydro-1-methyl-1H-imidazolium methyl sulphate","1-{2-[(2-cyanoethyl)(docosanoyl)amino]ethyl}-2-henicosyl-1-methyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C52H101N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-51-54-46-49-56(51,3)50-48-55(47-42-45-53)52(57)44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-44,46-50H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C52H101N4O.CH3O4S,,,,,,ZFYBAYJOZWMKNE-UHFFFAOYSA-M,,,,,,,,,,,
100.061.302,267-453-6,67874-10-6,"1-[2-[(2-cyanoethyl)(1-oxoicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-1H-imidazolium methyl sulphate","1-{2-[(2-cyanoethyl)(icosanoyl)amino]ethyl}-1-methyl-2-nonadecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C48H93N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-47-50-42-45-52(47,3)46-44-51(43-38-41-49)48(53)40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-40,42-46H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C48H93N4O.CH3O4S,,,,,,HROQWPUNOJRCJI-UHFFFAOYSA-M,,,,,,,,,,,
100.056.706,262-396-3,60736-70-1,[3-chloro-4-(phenylmethoxy)phenyl]acetic acid,[4-(benzyloxy)-3-chlorophenyl]acetic acid,OC(=O)Cc1ccc(OCc2ccccc2)c(Cl)c1,OC(=O)Cc1ccc(OCc2ccccc2)c(Cl)c1,"InChI=1/C15H13ClO3/c16-13-8-12(9-15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)",C15H13ClO3,,,,,,DFHBBMJTBBLQSA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.708,262-398-4,60737-64-6,1-(cyclopropylmethyl)pyrrolidin-2-one,1-(cyclopropylmethyl)pyrrolidin-2-one,O=C1CCCN1CC2CC2,O=C1CCCN1CC2CC2,"InChI=1/C8H13NO/c10-8-2-1-5-9(8)6-7-3-4-7/h7H,1-6H2",C8H13NO,,,,,,UYTDNJPNLXAIRV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.721,262-413-4,60763-41-9,2-diethoxymethyl-1-phenylhept-1-ene,[2-(diethoxymethyl)hept-1-en-1-yl]benzene,CCOC(OCC)C(=Cc1ccccc1)CCCCC,CCOC(OCC)C(=Cc1ccccc1)CCCCC,"InChI=1/C18H28O2/c1-4-7-9-14-17(18(19-5-2)20-6-3)15-16-12-10-8-11-13-16/h8,10-13,15,18H,4-7,9,14H2,1-3H3",C18H28O2,,,,,,MPKOLWUWOADQCX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.732,262-426-5,60779-49-9,"5-nitro-2,6-dioxo-1,2,3,4-tetrahydropyrimidine-4-carboxylic acid","5-nitro-2,6-dioxohexahydropyrimidine-4-carboxylic acid",OC(=O)C1NC(=O)NC(=O)C1[N+](=O)[O-],OC(=O)C1NC(=O)NC(=O)C1[N+](=O)[O-],"InChI=1/C5H5N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h1-2H,(H,10,11)(H2,6,7,9,12)",C5H3N3O6.xK,,,,,,SEDWUBYNOPCBAL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.735,262-429-1,60784-46-5,Elmustine,1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea,OCCNC(=O)N(CCCl)N=O,OCCNC(=O)N(CCCl)N=O,"InChI=1/C5H10ClN3O3/c6-1-3-9(8-12)5(11)7-2-4-10/h10H,1-4H2,(H,7,11)",C5H10ClN3O3,,,,,,YJZJEQBSODVMTH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.740,262-434-9,60792-56-5,1H-benzimidazole-2-acetamide,2-(1H-benzimidazol-2-yl)acetamide,NC(=O)Cc1nc2ccccc2[nH]1,NC(=O)Cc1nc2ccccc2[nH]1,"InChI=1/C9H9N3O/c10-8(13)5-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5H2,(H2,10,13)(H,11,12)",C9H9N3O,,,,,,STRDCKXOEFPOCT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.744,262-439-6,60810-05-1,"3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropionamide","N~3~-ethyl-N-(2-hydroxyethyl)-N-methyl-N~3~-{4-[(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl}-beta-alaninamide",OCCN(C)C(=O)CCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,OCCN(C)C(=O)CCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,"InChI=1/C21H24N6O4S/c1-3-26(11-10-20(29)25(2)12-13-28)16-6-4-15(5-7-16)22-23-21-18-14-17(27(30)31)8-9-19(18)24-32-21/h4-9,14,28H,3,10-13H2,1-2H3",C21H24N6O4S,,,,,,YGNMNEXULHORSX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.593,264-472-1,63815-64-5,2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium,"4-(2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate",[O-]S(=O)(=O)CCCC[n+]3c4cc(C)c(OC)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC,[O-]S(=O)(=O)CCCC[n+]3c4cc(C)c(OC)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC,"InChI=1/C28H34N2O5S2Se/c1-6-20(16-28-29(7-2)23-17-21(34-4)10-11-26(23)38-28)15-27-30(12-8-9-13-37(31,32)33)22-14-19(3)24(35-5)18-25(22)36-27/h10-11,14-18H,6-9,12-13H2,1-5H3",C28H34N2O5S2Se,,,,,,GDNHWQHMPIKQLF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.209,236-545-8,13425-53-1,"4,4'-(1,2-diethylethylene)diphenyl bis(dihydrogen phosphate)","hex-3-ene-3,4-diyldi-4,1-phenylene bis[dihydrogen (phosphate)]",CCC(=C(CC)c1ccc(OP(=O)(O)O)cc1)c2ccc(OP(=O)(O)O)cc2,CCC(=C(CC)c1ccc(OP(=O)(O)O)cc1)c2ccc(OP(=O)(O)O)cc2,"InChI=1/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)",C18H22O8P2,,,,,,NLORYLAYLIXTID-UHFFFAOYSA-N,,,,,,,,,,,
100.033.211,236-547-9,13429-07-7,1-(2-methoxypropoxy)propan-2-ol,1-(2-methoxypropoxy)propan-2-ol,COC(C)COCC(C)O,COC(C)COCC(C)O,"InChI=1/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3",C7H16O3,,,,,,FOLPKOWCPVGUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.216,236-553-1,13431-34-0,4-ethyl-3-thiosemicarbazide,N-ethylhydrazinecarbothioamide,CCNC(=S)NN,CCNC(=S)NN,"InChI=1/C3H9N3S/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)",C3H9N3S,,,,,,SKYYTGUCWARUCL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.220,236-557-3,13433-09-5,N-L-a-aspartyl-3-phenyl-L-alanine,alpha-aspartyl-L-phenylalanine,N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)",C13H16N2O5,,,,,,YZQCXOFQZKCETR-UWVGGRQHSA-N,,,,,,,,,,,
100.054.900,260-409-7,56863-01-5,"Octanoic acid, compound with tributylamine (1:1)","octanoic acid - N,N-dibutylbutan-1-amine (1:1)",CCCCCCCC(=O)O.CCCCN(CCCC)CCCC,CCCCCCCC(=O)O.CCCCN(CCCC)CCCC,"InChI=1/C12H27N.C8H16O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-6-7-8(9)10/h4-12H2,1-3H3;2-7H2,1H3,(H,9,10)",C12H27N.C8H16O2,,,,,,FENTZGYTGCWDPS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.905,260-414-4,56875-68-4,"2,2-dioctyl-1,3-dioxa-6,9-dithia-2-stannacycloundecane-4,11-dione","2,2-dioctyl-1,3-dioxa-6,9-dithia-2-stannacycloundecane-4,11-dione",CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CSCCSCC(=O)O1,CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CSCCSCC(=O)O1,"InChI=1/2C8H17.C6H10O4S2.Sn/c2*1-3-5-7-8-6-4-2;7-5(8)3-11-1-2-12-4-6(9)10;/h2*1,3-8H2,2H3;1-4H2,(H,7,8)(H,9,10);/q;;;+2/p-2/rC22H42O4S2Sn/c1-3-5-7-9-11-13-17-29(18-14-12-10-8-6-4-2)25-21(23)19-27-15-16-28-20-22(24)26-29/h3-20H2,1-2H3",C22H42O4S2Sn,,,,,,JJCXSKMERQVLRH-UHFFFAOYSA-L,,,,,,,,,,,
100.054.911,260-421-2,56894-29-2,1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole,1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole,Cc1ncc([N+](=O)[O-])n1CCCCl,Cc1ncc([N+](=O)[O-])n1CCCCl,"InChI=1/C7H10ClN3O2/c1-6-9-5-7(11(12)13)10(6)4-2-3-8/h5H,2-4H2,1H3",C7H10ClN3O2,,,,,,JCQFIQJFPHTLGY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.919,260-430-1,56915-02-7,"1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one","1-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one",CC1(C)CC(O)CC(\\C)=C1\\C(=O)C=CC,CC1(C)CC(O)CC(\C)=C1\C(=O)C=CC,"InChI=1/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3",C13H20O2,,,,,,UPRXEFYRIACHQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.920,260-431-7,56917-44-3,1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethan-1-one,2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone,CN(CC(=O)c1cccc(O)c1)Cc2ccccc2,CN(CC(=O)c1cccc(O)c1)Cc2ccccc2,"InChI=1/C16H17NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,18H,11-12H2,1H3",C16H17NO2,,,,,,DWMWFFWZJCCKCS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.921,260-432-2,56918-92-4,"5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulphophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid","5-[(4-{[4-({2,6-diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)phenyl]carbamoyl}phenyl)diazenyl]-2-hydroxybenzoic acid",O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(N)c(C)cc(N=Nc3ccc(cc3)S(O)(=O)=O)c4N)cc5,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(N)c(C)cc(N=Nc3ccc(cc3)S(O)(=O)=O)c4N)cc5,"InChI=1/C33H27N9O7S/c1-18-16-27(41-38-23-10-13-25(14-11-23)50(47,48)49)30(35)31(29(18)34)42-39-22-8-6-20(7-9-22)36-32(44)19-2-4-21(5-3-19)37-40-24-12-15-28(43)26(17-24)33(45)46/h2-17,43H,34-35H2,1H3,(H,36,44)(H,45,46)(H,47,48,49)",C33H27N9O7S,,,,,,DJMAQCZODPUFBF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.922,260-433-8,56918-93-5,"5-[[4-[[[4-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulpho-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid","5-[(4-{[4-({8-amino-1-hydroxy-7-[(4-nitrophenyl)diazenyl]-3,6-disulfo-2-naphthyl}diazenyl)phenyl]carbamoyl}phenyl)diazenyl]-2-hydroxybenzoic acid",O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O)cc6,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O)cc6,"InChI=1/C36H25N9O13S2/c37-31-30-19(15-28(59(53,54)55)32(31)43-40-23-9-12-25(13-10-23)45(51)52)16-29(60(56,57)58)33(34(30)47)44-41-22-7-5-20(6-8-22)38-35(48)18-1-3-21(4-2-18)39-42-24-11-14-27(46)26(17-24)36(49)50/h1-17,46-47H,37H2,(H,38,48)(H,49,50)(H,53,54,55)(H,56,57,58)",C36H25N9O13S2,,,,,,MMVNZWAJOBFTMS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.925,260-436-4,56922-72-6,Pentyl 3-methyl-2-butenoate,pentyl 3-methylbut-2-enoate,CCCCCOC(=O)C=C(C)C,CCCCCOC(=O)C=C(C)C,"InChI=1/C10H18O2/c1-4-5-6-7-12-10(11)8-9(2)3/h8H,4-7H2,1-3H3",C10H18O2,,,,,,NMUKAHSPJUKENF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.928,260-440-6,56922-75-9,(Z)-hex-2-enyl acetate,hex-2-en-1-yl acetate,CCC\\C=C/COC(=O)C,CCC\C=C/COC(=O)C,"InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3",C8H14O2,,,,,,HRHOWZHRCRZVCU-WAYWQWQTSA-N,,,,,,,,,,,
100.061.007,267-127-3,67801-08-5,2-methoxy-4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1),bis(2-methoxy-4-morpholin-4-ylbenzenediazonium) tetrachlorozincate(2-),COc1cc(ccc1[N+]#N)N2CCOCC2.COc3cc(ccc3[N+]#N)N4CCOCC4.Cl[Zn-2](Cl)(Cl)Cl,COc1cc(ccc1[N+]#N)N2CCOCC2.COc3cc(ccc3[N+]#N)N4CCOCC4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C11H14N3O2.4ClH.Zn/c2*1-15-11-8-9(2-3-10(11)13-12)14-4-6-16-7-5-14;;;;;/h2*2-3,8H,4-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H14N3O2.Cl4Zn/c2*1-15-11-8-9(2-3-10(11)13-12)14-4-6-16-7-5-14;1-5(2,3)4/h2*2-3,8H,4-7H2,1H3;/q2*+1;-2",C11H14N3O2.1/2Cl4Zn,,,,,,UKEGNQLCNXRWNG-UHFFFAOYSA-J,,,,,,,,,,,
100.061.009,267-129-4,67801-10-9,Strontium 4-[(4-chloro-5-ethyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1),strontium 4-[(4-chloro-5-ethyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[SrH2].CCc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,[SrH2].CCc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C19H15ClN2O6S.Sr.2H/c1-2-10-8-15(16(9-14(10)20)29(26,27)28)21-22-17-12-6-4-3-5-11(12)7-13(18(17)23)19(24)25;;;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);;;/q;+2;;/p-2/rC19H15ClN2O6S.H2Sr/c1-2-10-8-15(16(9-14(10)20)29(26,27)28)21-22-17-12-6-4-3-5-11(12)7-13(18(17)23)19(24)25;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);1H2/q;+2/p-2",C19H15ClN2O6S.Sr,,,,,,XSEPYNSCKLHZFD-UHFFFAOYSA-L,,,,,,,,,,,
100.061.011,267-132-0,67801-12-1,"6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol","6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol",CCC(O)C=CCC1C\\C=C(\\C)C1(C)C,CCC(O)C=CCC1C\C=C(\C)C1(C)C,"InChI=1/C14H24O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6,8-9,12-13,15H,5,7,10H2,1-4H3",C14H24O,,,,,,RHQDMXYIGACKOH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.721,264-612-1,64024-15-3,"(2a,6a,11R*)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride","6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol hydrochloride",Cl.CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C,Cl.CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C,"InChI=1/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H",C19H27NO.ClH,,,,,,OQGYMIIFOSJQSF-FHCCZTKJSA-N,,,,,,,,,,,
100.058.727,264-618-4,64046-67-9,1-methoxy-1-methylethyl bromoacetate,1-methoxy-1-methylethyl bromoacetate,COC(C)(C)OC(=O)CBr,COC(C)(C)OC(=O)CBr,"InChI=1/C6H11BrO3/c1-6(2,9-3)10-5(8)4-7/h4H2,1-3H3",C6H11BrO3,,,,,,LATIKUXXNBZQFO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.728,264-620-5,64050-16-4,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl acrylate","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethyl acrylate",CCC(C)(C)c1ccc(OCCOC(=O)C=C)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCOC(=O)C=C)c(c1)C(C)(C)CC,"InChI=1/C21H32O3/c1-8-19(22)24-14-13-23-18-12-11-16(20(4,5)9-2)15-17(18)21(6,7)10-3/h8,11-12,15H,1,9-10,13-14H2,2-7H3",C21H32O3,,,,,,MMXPBYQIASNXFL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.732,264-624-7,64051-25-8,Bis(diethylammonium) 2-(hexyloxy)ethyl phosphate,bis(N-ethylethanaminium) 2-(hexyloxy)ethyl phosphate,CCCCCCOCCOP(=O)([O-])[O-].CC[NH2+]CC.CC[NH2+]CC,CCCCCCOCCOP(=O)([O-])[O-].CC[NH2+]CC.CC[NH2+]CC,"InChI=1/C8H19O5P.2C4H11N/c1-2-3-4-5-6-12-7-8-13-14(9,10)11;2*1-3-5-4-2/h2-8H2,1H3,(H2,9,10,11);2*5H,3-4H2,1-2H3",C8H19O5P.2C4H11N,,,,,,KGQFXBVYDHLJSK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.734,264-626-8,64051-29-2,Dioctadec-9-enyl phosphonate,dioctadec-9-en-1-yl phosphonate,O=P(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC,O=P(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C36H71O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-36H2,1-2H3",C36H71O3P,,,,,,OOFYMDXMQHPCQO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.735,264-627-3,64051-35-0,"Bis[(1,1,3,3-tetramethylbutyl)phenyl] hydrogen phosphate, compound with diethylamine (1:1)","bis[2-(1,1,3,3-tetramethylbutyl)phenyl] hydrogen phosphate - N-ethylethanamine (1:1)",CCNCC.CC(C)(C)CC(C)(C)c1ccccc1OP(=O)(O)Oc2ccccc2C(C)(C)CC(C)(C)C,CCNCC.CC(C)(C)CC(C)(C)c1ccccc1OP(=O)(O)Oc2ccccc2C(C)(C)CC(C)(C)C,"InChI=1/C28H43O4P.C4H11N/c1-25(2,3)19-27(7,8)21-15-11-13-17-23(21)31-33(29,30)32-24-18-14-12-16-22(24)28(9,10)20-26(4,5)6;1-3-5-4-2/h11-18H,19-20H2,1-10H3,(H,29,30);5H,3-4H2,1-2H3",C28H43O4P.C4H11N,,,,,,GQDMCFMJRLLAFM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.738,264-631-5,64051-39-4,Dipentylphenyl dihydrogen phosphate,"2,3-dipentylphenyl dihydrogen phosphate",OP(O)(=O)Oc1cccc(CCCCC)c1CCCCC,OP(O)(=O)Oc1cccc(CCCCC)c1CCCCC,"InChI=1/C16H27O4P/c1-3-5-7-10-14-11-9-13-16(20-21(17,18)19)15(14)12-8-6-4-2/h9,11,13H,3-8,10,12H2,1-2H3,(H2,17,18,19)",C16H27O4P,,,,,,RVQOXEIOIUDSFU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.379,266-438-1,66654-00-0,[2-[(1-oxohexadecyl)amino]ethoxy]acetic acid,[2-(palmitoylamino)ethoxy]acetic acid,CCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O,"InChI=1/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-16-17-25-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)",C20H39NO4,,,,,,PQTYIEUPYGPQHF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.383,266-442-3,66669-53-2,"Tetrasodium hydrogen 2-phosphonatobutane-1,2,4-tricarboxylate","hydrogen tetrasodium 2-phosphonatobutane-1,2,4-tricarboxylate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CCC(CC(=O)[O-])(C(=O)[O-])P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CCC(CC(=O)[O-])(C(=O)[O-])P(=O)([O-])[O-],"InChI=1/C7H11O9P.4Na/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);;;;/q;4*+1/p-5",C7H11O9P.4Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10156,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.383,DOKCKBQARAOKRY-UHFFFAOYSA-I,,,,,,,,,,,
100.055.416,260-977-6,57834-50-1,Ethyl 4-[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]benzoate,ethyl 4-[({[4-(ethoxycarbonyl)phenyl]amino}methylene)amino]benzoate,CCOC(=O)c1ccc(NC=Nc2ccc(cc2)C(=O)OCC)cc1,CCOC(=O)c1ccc(NC=Nc2ccc(cc2)C(=O)OCC)cc1,"InChI=1/C19H20N2O4/c1-3-24-18(22)14-5-9-16(10-6-14)20-13-21-17-11-7-15(8-12-17)19(23)25-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)",C19H20N2O4,,,,,,GQCWLVKRYZIQBN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.880,233-982-6,10482-43-6,"Disodium 2-[[[2-carboxylatophenyl]amino]sulphonyl]-5-[[4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl]azo]benzoate","disodium 2-[(2-carboxylatophenyl)sulfamoyl]-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate",[Na+].[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1ccc(cc1C([O-])=O)N=NC3C(\\C)=N/N(c2ccccc2)C3=O,[Na+].[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1ccc(cc1C([O-])=O)N=NC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C24H19N5O7S.2Na/c1-14-21(22(30)29(27-14)16-7-3-2-4-8-16)26-25-15-11-12-20(18(13-15)24(33)34)37(35,36)28-19-10-6-5-9-17(19)23(31)32;;/h2-13,21,28H,1H3,(H,31,32)(H,33,34);;/q;2*+1/p-2",C24H19N5O7S.2Na,,,,,,LZUZAWMLZRSQGJ-UHFFFAOYSA-L,,,,,,,,,,,
100.030.885,233-987-3,10482-65-2,Cinnamyl valerate,3-phenylprop-2-en-1-yl valerate,CCCCC(=O)OC\\C=C\\c1ccccc1,CCCCC(=O)OC\C=C\c1ccccc1,"InChI=1/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3",C14H18O2,,,,,,FLSKWIBFXUNBAW-JXMROGBWSA-N,,,,,,,,,,,
100.030.893,233-996-2,10484-36-3,2-pentyloxy-5-prop-1-enylanisole,2-methoxy-1-(pentyloxy)-4-prop-1-en-1-ylbenzene,COc1cc(ccc1OCCCCC)C=CC,COc1cc(ccc1OCCCCC)C=CC,"InChI=1/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,8-10,12H,4,6-7,11H2,1-3H3",C15H22O2,,,,,,IKJFIKIKJWLIQS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.895,233-998-3,10484-56-7,Butyl 2-naphthyl ether,2-butoxynaphthalene,CCCCOc1ccc2ccccc2c1,CCCCOc1ccc2ccccc2c1,"InChI=1/C14H16O/c1-2-3-10-15-14-9-8-12-6-4-5-7-13(12)11-14/h4-9,11H,2-3,10H2,1H3",C14H16O,,,,,,CDMIQAIIIBPTRK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.896,233-999-9,10485-23-1,(4-ethoxy-2-hydroxy-4-oxobut-2-enyl)trimethylammonium chloride,"4-ethoxy-2-hydroxy-N,N,N-trimethyl-4-oxobut-2-en-1-aminium chloride",[Cl-].C[N+](C)(C)CC(O)=CC(=O)OCC,[Cl-].C[N+](C)(C)CC(O)=CC(=O)OCC,"InChI=1/C9H17NO3.ClH/c1-5-13-9(12)6-8(11)7-10(2,3)4;/h6H,5,7H2,1-4H3;1H",C9H18NO3.Cl,,,,,,RCMPUKHVPLSFPC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.905,234-009-8,10486-61-0,3-iodothiophene,3-iodothiophene,Ic1ccsc1,Ic1ccsc1,InChI=1/C4H3IS/c5-4-1-2-6-3-4/h1-3H,C4H3IS,,,,,,WGKRMQIQXMJVFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.911,234-016-6,10491-31-3,Sodium bis(p-tert-butylphenyl) phosphate,sodium bis(4-tert-butylphenyl) phosphate,[Na+].CC(C)(C)c1ccc(OP(=O)([O-])Oc2ccc(cc2)C(C)(C)C)cc1,[Na+].CC(C)(C)c1ccc(OP(=O)([O-])Oc2ccc(cc2)C(C)(C)C)cc1,"InChI=1/C20H27O4P.Na/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6;/h7-14H,1-6H3,(H,21,22);/q;+1/p-1",C20H27O4P.Na,,,,,,SNAQARSCIHDMGI-UHFFFAOYSA-M,,,,,,,,,,,
100.030.912,234-017-1,10493-34-2,"1,1'-[ethylenebis(oxymethylene)]dipyridinium diperchlorate","1,1'-[ethane-1,2-diylbis(oxymethylene)]dipyridinium diperchlorate",[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C(COC[n+]1ccccc1)OC[n+]2ccccc2,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C(COC[n+]1ccccc1)OC[n+]2ccccc2,"InChI=1/C14H18N2O2.2ClHO4/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*2-1(3,4)5/h1-10H,11-14H2;2*(H,2,3,4,5)/q+2;;/p-2",C14H18N2O2.2ClO4,,,,,,PGJHIOADNZXKFI-UHFFFAOYSA-L,,,,,,,,,,,
100.033.234,236-573-0,13437-03-1,"1,2,4-trichloro-7-nitro-3H-phenoxazin-3-one","1,2,4-trichloro-7-nitro-3H-phenoxazin-3-one",[O-][N+](=O)c1ccc2N=C3C(=C(Cl)C(=O)C(=C3Oc2c1)Cl)Cl,[O-][N+](=O)c1ccc2N=C3C(=C(Cl)C(=O)C(=C3Oc2c1)Cl)Cl,InChI=1/C12H3Cl3N2O4/c13-7-8(14)11(18)9(15)12-10(7)16-5-2-1-4(17(19)20)3-6(5)21-12/h1-3H,C12H3Cl3N2O4,,,,,,LJRBOQLUSYCVQA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.235,236-574-6,13438-18-1,2-hydroxydodecyl methacrylate,2-hydroxydodecyl methacrylate,CCCCCCCCCCC(O)COC(=O)C(=C)C,CCCCCCCCCCC(O)COC(=O)C(=C)C,"InChI=1/C16H30O3/c1-4-5-6-7-8-9-10-11-12-15(17)13-19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3",C16H30O3,,,,,,RDFIICFCNKXLHC-UHFFFAOYSA-N,,,,,,,,,,,
100.033.239,236-578-8,13440-13-6,"N,N,N,N',N',N'-hexamethyl-N,N'-butan-1,4-diyldiammonium dibromide","N,N,N,N',N',N'-hexamethylbutane-1,4-diaminium dibromide",[Br-].[Br-].C[N+](C)(C)CCCC[N+](C)(C)C,[Br-].[Br-].C[N+](C)(C)CCCC[N+](C)(C)C,"InChI=1/C10H26N2.2BrH/c1-11(2,3)9-7-8-10-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2",C10H26N2.2Br,,,,,,LPMGBZUUAYQFCO-UHFFFAOYSA-L,,,,,,,,,,,
100.033.246,236-586-1,13444-72-9,Dimanganese tris(sulphate),dimanganese tris(sulphate),[Mn+3].[Mn+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Mn+3].[Mn+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Mn.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",H2O4S.2/3Mn,,,,,,PAVJEQIFHXNOSM-UHFFFAOYSA-H,,,,,,,,,,,
100.033.247,236-587-7,13444-93-4,Osmium trichloride,-,[Cl-].[Cl-].[Cl-].[Os+2],[Cl-].[Cl-].[Cl-].[Os+2],InChI=1/3ClH.Os/h3*1H;/q;;;+2/p-3,Cl3Os,,,,,,AHHLNAIWYUQBET-UHFFFAOYSA-K,,,,,,,,,,,
100.033.249,236-589-8,13444-96-7,Palladium difluoride,palladium(2+) difluoride,[F-].[F-].[Pd+2],[F-].[F-].[Pd+2],InChI=1/2FH.Pd/h2*1H;/q;;+2/p-2,F2Pd,,,,,,BHZSLLSDZFAPFH-UHFFFAOYSA-L,,,,,,,,,,,
100.034.754,238-246-8,14307-88-1,"N,N'-(dithiodiethylene)bis[3-aminopropionamide] dihydrochloride","N,N'-(disulfanediyldiethane-2,1-diyl)bis(3-aminopropanamide) dihydrochloride (non-preferred name)",Cl.Cl.NCCC(=O)NCCSSCCNC(=O)CCN,Cl.Cl.NCCC(=O)NCCSSCCNC(=O)CCN,"InChI=1/C10H22N4O2S2.2ClH/c11-3-1-9(15)13-5-7-17-18-8-6-14-10(16)2-4-12;;/h1-8,11-12H2,(H,13,15)(H,14,16);2*1H",C10H22N4O2S2.2ClH,,,,,,DSBJWROVTYSFGC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.596,264-475-8,63815-75-8,1-benzyl-6-methoxy-2-[[3-(4-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium,"4-{2-[(1-benzyl-6-methoxyquinolinium-2-yl)methylene]-1,3-benzoselenazol-3(2H)-yl}butane-1-sulfonate",[O-]S(=O)(=O)CCCCN4c5ccccc5[Se]C4=Cc2ccc3cc(OC)ccc3[n+]2Cc1ccccc1,[O-]S(=O)(=O)CCCCN4c5ccccc5[Se]C4=Cc2ccc3cc(OC)ccc3[n+]2Cc1ccccc1,"InChI=1/C29H28N2O4SSe/c1-35-25-15-16-26-23(19-25)13-14-24(31(26)21-22-9-3-2-4-10-22)20-29-30(17-7-8-18-36(32,33)34)27-11-5-6-12-28(27)37-29/h2-6,9-16,19-20H,7-8,17-18,21H2,1H3",C29H28N2O4SSe,,,,,,ZTHVSASDZJTOBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.597,264-476-3,63815-80-5,2-methyl-3-(4-sulphonatobutyl)benzoselenazolium,"4-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonate",CC1=[N+](CCCCS(=O)(=O)[O-])c2ccccc2[Se]1,CC1=[N+](CCCCS(=O)(=O)[O-])c2ccccc2[Se]1,"InChI=1/C12H15NO3SSe/c1-10-13(8-4-5-9-17(14,15)16)11-6-2-3-7-12(11)18-10/h2-3,6-7H,4-5,8-9H2,1H3",C12H15NO3SSe,,,,,,JKDDPMLHQDFOGO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.599,264-478-4,63815-83-8,"2-[3-(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)-2-(2-thienyl)-1-propenyl]-1-methylnaphtho[1,2-d]thiazolium iodide","2-[3-(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-(2-thienyl)prop-1-en-1-yl]-1-methylnaphtho[1,2-d][1,3]thiazol-1-ium iodide",[I-].C[n+]4c5c6ccccc6ccc5sc4C=C(C=C2Sc1cc(OC)c(C)cc1N2CC)c3cccs3,[I-].C[n+]4c5c6ccccc6ccc5sc4C=C(C=C2Sc1cc(OC)c(C)cc1N2CC)c3cccs3,"InChI=1/C30H27N2OS3.HI/c1-5-32-23-15-19(2)24(33-4)18-27(23)36-29(32)17-21(25-11-8-14-34-25)16-28-31(3)30-22-10-7-6-9-20(22)12-13-26(30)35-28;/h6-18H,5H2,1-4H3;1H/q+1;/p-1",C30H27N2OS3.I,,,,,,DBRUMENGKOETDA-UHFFFAOYSA-M,,,,,,,,,,,
100.058.607,264-487-3,63816-06-8,"6-chloro-2-[2-(1-ethyl-2,3-dihydro-5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)vinyl]-1,3-diphenyl-1H-imidazo[4,5-b]quinoxalinium perchlorate","6-chloro-2-[2-(1-ethyl-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)vinyl]-1,3-diphenyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium perchlorate",CCN1N(C(=O)C(=C1C)\\C=C\\C2N(c3ccccc3)c4nc5cc(Cl)ccc5nc4[NH+]2c6ccccc6)c7ccccc7.[O-]Cl(=O)(=O)=O,CCN1N(C(=O)C(=C1C)\C=C\C2N(c3ccccc3)c4nc5cc(Cl)ccc5nc4[NH+]2c6ccccc6)c7ccccc7.[O-]Cl(=O)(=O)=O,"InChI=1/C35H29ClN6O.ClHO4/c1-3-39-24(2)29(35(43)42(39)28-17-11-6-12-18-28)20-22-32-40(26-13-7-4-8-14-26)33-34(41(32)27-15-9-5-10-16-27)38-31-23-25(36)19-21-30(31)37-33;2-1(3,4)5/h4-23,32H,3H2,1-2H3;(H,2,3,4,5)",C35H28ClN6O.ClO4,,,,,,CXKNWSPBCJLKBW-QPNALZDCSA-N,,,,,,,,,,,
100.058.610,264-491-5,63816-13-7,1-ethyl-2-(ethylthio)-6-methoxyquinolinium iodide,1-ethyl-2-(ethylsulfanyl)-6-methoxyquinolinium iodide,[I-].CCSc1ccc2cc(OC)ccc2[n+]1CC,[I-].CCSc1ccc2cc(OC)ccc2[n+]1CC,"InChI=1/C14H18NOS.HI/c1-4-15-13-8-7-12(16-3)10-11(13)6-9-14(15)17-5-2;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1",C14H18NOS.I,,,,,,NVYHFXSCBIFCJF-UHFFFAOYSA-M,,,,,,,,,,,
100.058.612,264-493-6,63816-15-9,"2,2'-diselenobis[5-methoxyaniline]","2,2'-diselane-1,2-diylbis(5-methoxyaniline)",COc1ccc([Se][Se]c2ccc(OC)cc2N)c(N)c1,COc1ccc([Se][Se]c2ccc(OC)cc2N)c(N)c1,"InChI=1/C14H16N2O2Se2/c1-17-9-3-5-13(11(15)7-9)19-20-14-6-4-10(18-2)8-12(14)16/h3-8H,15-16H2,1-2H3",C14H16N2O2Se2,,,,,,YDJXHEXPNOLEFT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.617,264-498-3,63824-12-4,Aliconazole,"1-[2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-yl]-1H-imidazole",Clc1ccc(cc1)C(=Cc2ccc(Cl)cc2Cl)Cn3ccnc3,Clc1ccc(cc1)C(=Cc2ccc(Cl)cc2Cl)Cn3ccnc3,"InChI=1/C18H13Cl3N2/c19-16-4-1-13(2-5-16)15(11-23-8-7-22-12-23)9-14-3-6-17(20)10-18(14)21/h1-10,12H,11H2",C18H13Cl3N2,,,,,,WNGFKUOERJDDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.621,264-502-3,63833-80-7,2-[(2-hydroxyethyl)amino]ethyl stearate,2-[(2-hydroxyethyl)amino]ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCNCCO,CCCCCCCCCCCCCCCCCC(=O)OCCNCCO,"InChI=1/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h23-24H,2-21H2,1H3",C22H45NO3,,,,,,QZEJJPSZCXBLAI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.622,264-503-9,63834-59-3,"3-(4-bromophenoxy)propane-1,2-diol","3-(4-bromophenoxy)propane-1,2-diol",OCC(O)COc1ccc(Br)cc1,OCC(O)COc1ccc(Br)cc1,"InChI=1/C9H11BrO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2",C9H11BrO3,,,,,,FZGZDDRZAZBANV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.049,251-770-1,33974-27-5,a-phenylpyridine-4-methanol,phenyl(pyridin-4-yl)methanol,OC(c1ccccc1)c2ccncc2,OC(c1ccccc1)c2ccncc2,"InChI=1/C12H11NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9,12,14H",C12H11NO,,,,,,MYKGGGPMKINROD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.054,251-775-9,33984-50-8,"s-Benzofurazanamine, N-[(4-methoxyphenyl)methyl]-7-nitro","N-(4-methoxybenzyl)-7-nitro-2,1,3-benzoxadiazol-4-amine",COc1ccc(CNc2ccc(c3nonc23)N(=O)=O)cc1,COc1ccc(CNc2ccc(c3nonc23)N(=O)=O)cc1,"InChI=1/C14H12N4O4/c1-21-10-4-2-9(3-5-10)8-15-11-6-7-12(18(19)20)14-13(11)16-22-17-14/h2-7,15H,8H2,1H3",C14H12N4O4,,,,,,IENONFJSMWUIQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.056,251-778-5,33993-25-8,2-naphthyl-ß-D-galactopyranoside,"4,5-dihydroxy-6-(hydroxymethyl)-3-(1-naphthyloxy)tetrahydro-2H-pyran-2-olate (non-preferred name)",OC[C@H]1O[C@@H]([O-])[C@H](Oc2cccc3ccccc23)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H]([O-])[C@H](Oc2cccc3ccccc23)[C@@H](O)[C@H]1O,"InChI=1/C16H17O6/c17-8-12-13(18)14(19)15(16(20)22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-19H,8H2/q-1",C16H18O6,,,,,,YNMKFUOCBICEJF-LYYZXLFJSA-N,,,,,,,,,,,
100.054.932,260-444-8,56922-82-8,(E)-hex-3-enyl hexanoate,hex-3-en-1-yl hexanoate,CCCCCC(=O)OCC\\C=C\\CC,CCCCCC(=O)OCC\C=C\CC,"InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3",C12H22O2,,,,,,RGACQXBDYBCJCY-FNORWQNLSA-N,,,,,,,,,,,
100.054.934,260-446-9,56927-16-3,"2',3'-O-isopropylidene-5'-O-tritylinosine","9-(2,3-O-isopropylidene-5-O-tritylpentofuranosyl)-1,9-dihydro-6H-purin-6-one",CC1(C)OC2C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(C2O1)n6cnc7C(=O)NC=Nc67,CC1(C)OC2C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(C2O1)n6cnc7C(=O)NC=Nc67,"InChI=1/C32H30N4O5/c1-31(2)40-26-24(39-30(27(26)41-31)36-20-35-25-28(36)33-19-34-29(25)37)18-38-32(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24,26-27,30H,18H2,1-2H3,(H,33,34,37)",C32H30N4O5,,,,,,KCWRKFVKIDINBP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.936,260-449-5,56932-43-5,Disodium 8-hydroxy-7-[(6-sulphonato-2-naphthyl)azo]quinoline-5-sulphonate,disodium 8-hydroxy-7-[(6-sulfonato-2-naphthyl)diazenyl]quinoline-5-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc3cc(c4cccnc4c3O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc3cc(c4cccnc4c3O)S([O-])(=O)=O,"InChI=1/C19H13N3O7S2.2Na/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13;;/h1-10,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C19H13N3O7S2.2Na,,,,,,IFVGQKHFUZRWNA-UHFFFAOYSA-L,,,,,,,,,,,
100.054.940,260-453-7,56933-62-1,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-nonanoate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl nonanoate",CCCCCCCCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCCCCCCCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C31H45FO6/c1-5-6-7-8-9-10-11-27(36)38-19-26(35)31(37)20(2)16-24-23-13-12-21-17-22(33)14-15-28(21,3)30(23,32)25(34)18-29(24,31)4/h14-15,17,20,23-25,34,37H,5-13,16,18-19H2,1-4H3",C31H45FO6,,,,,,AWDSCRBRERQCNU-DXPBGWFQSA-N,,,,,,,,,,,
100.036.593,240-269-3,16105-06-9,"5-oxo-L-proline, cadmium salt",-,[Cd+2].[O-]C(=O)[C@@H]1CCC(=O)N1,[Cd+2].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.Cd/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+2/p-1",C5H7NO3.xCd,,,,,,FNLLXXVJUANATH-DFWYDOINSA-M,,,,,,,,,,,
100.036.595,240-271-4,16106-20-0,"1,4:3,6-dianhydro-D-glucitol 2-nitrate","1,4:3,6-dianhydro-2-O-nitro-D-glucitol",O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-],O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-],"InChI=1/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2",C6H9NO6,,,,,,YWXYYJSYQOXTPL-JGWLITMVSA-N,,,,,,,,,,,
100.036.597,240-274-0,16108-50-2,"2'-hydroxy-4',6'-dimethylacetophenone","1-(2-hydroxy-4,6-dimethylphenyl)ethanone",CC(=O)c1c(C)cc(C)cc1O,CC(=O)c1c(C)cc(C)cc1O,"InChI=1/C10H12O2/c1-6-4-7(2)10(8(3)11)9(12)5-6/h4-5,12H,1-3H3",C10H12O2,,,,,,AAPOVDIBCPRZPC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.604,240-281-9,16111-27-6,2-[2-(dimethylammonio)ethyl]isothiouronium dichloride,(amino{[2-(dimethylammonio)ethyl]sulfanyl}methylene)ammonium dichloride,[Cl-].[Cl-].C[NH+](C)CCSC(=[NH2+])N,[Cl-].[Cl-].C[NH+](C)CCSC(=[NH2+])N,"InChI=1/C5H13N3S.2ClH/c1-8(2)3-4-9-5(6)7;;/h3-4H2,1-2H3,(H3,6,7);2*1H",C5H13N3S.2ClH,,,,,,FXBRVWUWVBAZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.607,240-285-0,16118-36-8,Methyl DL-methionate hydrochloride,methyl L-methioninate hydrochloride,Cl.COC(=O)[C@@H](N)CCSC,Cl.COC(=O)[C@@H](N)CCSC,"InChI=1/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H",C6H13NO2S.ClH,,,,,,MEVUPUNLVKELNV-JEDNCBNOSA-N,,,,,,,,,,,
100.036.614,240-292-9,16133-31-6,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine","1,3,5-triazinane-2,4,6-trione - 1,3,5-triazine-2,4,6-triamine (1:1)",Nc1nc(N)nc(N)n1.O=C2NC(=O)NC(=O)N2,Nc1nc(N)nc(N)n1.O=C2NC(=O)NC(=O)N2,"InChI=1/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9)",C3H6N6.xC3H3N3O3,,,,,,ZQKXQUJXLSSJCH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.624,240-303-7,16152-65-1,2-(1-methylcyclohexyl)-p-cresol,4-methyl-2-(1-methylcyclohexyl)phenol,Cc1ccc(O)c(c1)C2(C)CCCCC2,Cc1ccc(O)c(c1)C2(C)CCCCC2,"InChI=1/C14H20O/c1-11-6-7-13(15)12(10-11)14(2)8-4-3-5-9-14/h6-7,10,15H,3-5,8-9H2,1-2H3",C14H20O,,,,,,MQVDCVRWVSDQNN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.125,241-953-4,18043-74-8,"4,7-diethoxy-4,7-dimethyl-3,8-dioxa-4,7-disiladecane","4,7-diethoxy-4,7-dimethyl-3,8-dioxa-4,7-disiladecane",CCO[Si](C)(CC[Si](C)(OCC)OCC)OCC,CCO[Si](C)(CC[Si](C)(OCC)OCC)OCC,"InChI=1/C12H30O4Si2/c1-7-13-17(5,14-8-2)11-12-18(6,15-9-3)16-10-4/h7-12H2,1-6H3",C12H30O4Si2,,,,,,HITBDIPWYKTHIH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.126,241-955-5,18044-47-8,Ethyltris(1-methylethoxy)silane,ethyl(triisopropoxy)silane,CC[Si](OC(C)C)(OC(C)C)OC(C)C,CC[Si](OC(C)C)(OC(C)C)OC(C)C,"InChI=1/C11H26O3Si/c1-8-15(12-9(2)3,13-10(4)5)14-11(6)7/h9-11H,8H2,1-7H3",C11H26O3Si,,,,,,MYEJNNDSIXAGNK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.129,241-958-1,18046-21-4,Fentiazac,"[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid",OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3,OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3,"InChI=1/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)",C17H12ClNO2S,,,,,,JIEKMACRVQTPRC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.420,260-981-8,57843-21-7,"Dioleic acid, diamide with N-(2-aminoethyl)ethane-1,2-diamine","N,N'-(iminodiethane-2,1-diyl)bisoctadec-9-enamide",CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C40H77N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41H,3-16,21-38H2,1-2H3,(H,42,44)(H,43,45)",C40H77N3O2,,,,,,GPLIMPUKYAQOSM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.421,260-982-3,57843-53-5,"N,N,N',N'-tetrakis(2-hydroxypropyl)adipamide","N,N,N',N'-tetrakis(2-hydroxypropyl)hexanediamide",CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O,CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O,"InChI=1/C18H36N2O6/c1-13(21)9-19(10-14(2)22)17(25)7-5-6-8-18(26)20(11-15(3)23)12-16(4)24/h13-16,21-24H,5-12H2,1-4H3",C18H36N2O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10149,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.421,UUCAVBDCVCFNIN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.424,260-986-5,57846-06-7,"2,5-dibromo-3-(dibromomethyl)thiophene","2,5-dibromo-3-(dibromomethyl)thiophene",BrC(Br)c1cc(Br)sc1Br,BrC(Br)c1cc(Br)sc1Br,"InChI=1/C5H2Br4S/c6-3-1-2(4(7)8)5(9)10-3/h1,4H",C5H2Br4S,,,,,,PZYXTWFXPPWJJK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.426,260-988-6,57849-23-7,"(±)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline","1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline",COc1ccc(CC2NCCC3=C2CCCC3)cc1,COc1ccc(CC2NCCC3=C2CCCC3)cc1,"InChI=1/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3",C17H23NO,,,,,,NPEVCJZMQGZNET-UHFFFAOYSA-N,,,,,,,,,,,
100.055.428,260-990-7,57852-57-0,"(7S-cis)-9-acetyl-7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxynaphthacene-5,12-dione hydrochloride","3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride",Cl.C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C,Cl.C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C,"InChI=1/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H",C26H27NO9.ClH,,,,,,JVHPTYWUBOQMBP-RVFAQHLVSA-N,,,,,,,,,,,
100.055.429,260-991-2,57855-77-3,Calcium bis(dinonylnaphthalenesulphonate),"calcium bis(2,3-dinonylnaphthalene-1-sulfonate)",[Ca+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-],[Ca+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-],"InChI=1/2C28H44O3S.Ca/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2",C28H44O3S.1/2Ca,,,,,,MKFUUBCXQNCPIP-UHFFFAOYSA-L,,,,,,,,,,,
100.055.431,260-993-3,57859-47-9,Hex-3-enyl isobutyrate,hex-3-en-1-yl 2-methylpropanoate,CCC=CCCOC(=O)C(C)C,CCC=CCCOC(=O)C(C)C,"InChI=1/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3",C10H18O2,,,,,,OSMAJVWUIUORGC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.433,260-995-4,57863-93-1,"2,2'-methylenebis[4,6-dibromophenol]","2,2'-methylenebis(4,6-dibromophenol)",Oc1c(Br)cc(Br)cc1Cc2cc(Br)cc(Br)c2O,Oc1c(Br)cc(Br)cc1Cc2cc(Br)cc(Br)c2O,"InChI=1/C13H8Br4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2",C13H8Br4O2,,,,,,FHTRYIHBMTYTQT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.436,260-999-6,57866-70-3,S-benzyl(2-2H1)DL-cysteine,S-benzylcysteine,NC(CSCc1ccccc1)C(=O)O,NC(CSCc1ccccc1)C(=O)O,"InChI=1/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",C10H12DNO2S,,,,,,GHBAYRBVXCRIHT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.443,261-006-9,57898-46-1,Antimony(3+) stearate,antimony(3+) trioctadecanoate,[SbH3+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[SbH3+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O2.Sb.3H/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h3*2-17H2,1H3,(H,19,20);;;;/q;;;+3;;;/p-3/r3C18H36O2.H3Sb/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);1H3/q;;;+3/p-3",C18H36O2.1/3Sb,,,,,,QNWHVKHMMHAOFF-UHFFFAOYSA-K,,,,,,,,,,,
100.055.444,261-007-4,57898-49-4,"Iron(3+) (E,E)-hexa-2,4-dienoate","iron(3+) trihexa-2,4-dienoate",[Fe+3].C\\C=C\\C=C\\C(=O)[O-].C\\C=C\\C=C\\C(=O)[O-].C\\C=C\\C=C\\C(=O)[O-],[Fe+3].C\C=C\C=C\C(=O)[O-].C\C=C\C=C\C(=O)[O-].C\C=C\C=C\C(=O)[O-],"InChI=1/3C6H8O2.Fe/c3*1-2-3-4-5-6(7)8;/h3*2-5H,1H3,(H,7,8);/q;;;+3/p-3",C6H8O2.1/3Fe,,,,,,JDGVJYQRQXQHSZ-KWYLWIMLSA-K,,,,,,,,,,,
100.061.014,267-135-7,67801-15-4,"3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-one","3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one",CC(C=CC1C\\C=C(\\C)C1(C)C)C(C)=O,CC(C=CC1C\C=C(\C)C1(C)C)C(C)=O,"InChI=1/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3",C14H22O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11601,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.014,WPDAGRUACGXJJP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.017,267-138-3,67801-18-7,"5,6,7,8-tetrahydronaphthalen-2-acetaldehyde","5,6,7,8-tetrahydronaphthalen-2-ylacetaldehyde",O=CCc1ccc2CCCCc2c1,O=CCc1ccc2CCCCc2c1,"InChI=1/C12H14O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h5-6,8-9H,1-4,7H2",C12H14O,,,,,,FQLQZBMPYBYGRU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.757,238-249-4,14309-92-3,N-benzyl-4-nitroaniline,N-benzyl-4-nitroaniline,[O-][N+](=O)c1ccc(NCc2ccccc2)cc1,[O-][N+](=O)c1ccc(NCc2ccccc2)cc1,"InChI=1/C13H12N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2",C13H12N2O2,,,,,,QBSRKOBMKFOHOS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.766,238-259-9,14318-66-2,N-methyl-m-anisidine,3-methoxy-N-methylaniline,CNc1cccc(OC)c1,CNc1cccc(OC)c1,"InChI=1/C8H11NO/c1-9-7-4-3-5-8(6-7)10-2/h3-6,9H,1-2H3",C8H11NO,,,,,,ZFMZSZMUFWRAOG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.774,238-268-8,14323-32-1,Potassium tetrabromoaurate,potassium tetrabromoaurate(1-),[K+].Br[Au-](Br)(Br)Br,[K+].Br[Au-](Br)(Br)Br,"InChI=1/Au.4BrH.K/h;4*1H;/q+3;;;;;+1/p-4/rAuBr4.K/c2-1(3,4)5;/q-1;+1",AuBr4.K,,,,,,GVZKACIZKAONNB-UHFFFAOYSA-J,,,,,,,,,,,
100.034.778,238-273-5,14325-36-1,Methyl N5-(aminocarbonyl)-N2-benzoyl-L-ornithine,methyl N~2~-benzoyl-N~5~-carbamoylornithinate,COC(=O)C(CCCNC(=O)N)NC(=O)c1ccccc1,COC(=O)C(CCCNC(=O)N)NC(=O)c1ccccc1,"InChI=1/C14H19N3O4/c1-21-13(19)11(8-5-9-16-14(15)20)17-12(18)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18)(H3,15,16,20)",C14H19N3O4,,,,,,ARLRYYLMUJSMGC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.782,238-277-7,14332-25-3,Magnesium phosphonate(1:1),magnesium phosphonate,[MgH2].[O-]P(=O)[O-],[MgH2].[O-]P(=O)[O-],"InChI=1/Mg.H3O3P.2H/c;1-4(2)3;;/h;4H,(H2,1,2,3);;/q+2;;;/p-2/rH2Mg.H3O3P/c;1-4(2)3/h1H2;4H,(H2,1,2,3)/q+2;/p-2",H3O3P.Mg,,,,,,HFVXVDOWERYFEL-UHFFFAOYSA-L,,,,,,,,,,,
100.054.946,260-460-5,56943-68-1,Dichloro-7H-benz[de]anthracen-7-one,"1,2-dichloro-7H-benzo[de]anthracen-7-one",Clc1cc2cccc3C(=O)c4ccccc4c(c1Cl)c23,Clc1cc2cccc3C(=O)c4ccccc4c(c1Cl)c23,InChI=1/C17H8Cl2O/c18-13-8-9-4-3-7-12-14(9)15(16(13)19)10-5-1-2-6-11(10)17(12)20/h1-8H,C17H8Cl2O,,,,,,BTRQGGVLDWMVPD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.947,260-461-0,56949-68-9,"1-[p-(a,a-dimethylbenzyl)phenoxy]propan-2-ol",1-[4-(1-methyl-1-phenylethyl)phenoxy]propan-2-ol,CC(O)COc1ccc(cc1)C(C)(C)c2ccccc2,CC(O)COc1ccc(cc1)C(C)(C)c2ccccc2,"InChI=1/C18H22O2/c1-14(19)13-20-17-11-9-16(10-12-17)18(2,3)15-7-5-4-6-8-15/h4-12,14,19H,13H2,1-3H3",C18H22O2,,,,,,MCHVBEGSRJAJJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.948,260-462-6,56949-77-0,"(±)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile","2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile",COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,"InChI=1/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3",C27H38N2O4,,,,,,SGTNSNPWRIOYBX-UHFFFAOYSA-N,Positive,AU226001|AU226002|AU226003|AU226004|AU226005;SM855703;EA067401|EA067402|EA067403|EA067404|EA067405|EA067406|EA067407|EA067408|EA067409|EA067410|EA067411|EA067412|EA067413|EA067414;UF408101|UF408102|UF408103|UF408104,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,455.291:456.2939:457.2963|455.291:456.2939:165.0902|165.09:455.29:303.2064|165.0902:150.0667:303.2067|165.0899:150.0667:151.0721;165.0911:455.2906:150.0676;303.207:165.0913:150.0676|455.291:150.0669|165.0911:455.2907:303.2067|165.0913:303.2068:150.0676|165.0911:150.0676:105.0699|150.0676:165.0911:105.07|150.0676:135.0442:134.0727|455.2907|165.0912:455.2906:303.2068|165.0912:303.2069:150.0676|165.0913:150.0677:105.07|150.0677:165.0911:105.0699|135.0441:150.0676:134.0727|303.2071:165.0911:150.0676;165.0913:150.0678:105.07|150.0677:105.0699:134.0728|303.2074:165.0914:260.1651|303.2074:165.0913:260.1651,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.054.959,260-474-1,56961-73-0,1-phenylethyl isovalerate,1-phenylethyl 3-methylbutanoate,CC(C)CC(=O)OC(C)c1ccccc1,CC(C)CC(=O)OC(C)c1ccccc1,"InChI=1/C13H18O2/c1-10(2)9-13(14)15-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",C13H18O2,,,,,,WYWVAOQKWGNZHN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.962,260-477-8,56961-84-3,"1,2-dichloro-4-(dichloromethyl)benzene","1,2-dichloro-4-(dichloromethyl)benzene",ClC(Cl)c1ccc(Cl)c(Cl)c1,ClC(Cl)c1ccc(Cl)c(Cl)c1,"InChI=1/C7H4Cl4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,7H",C7H4Cl4,,,,,,LLPBAWYATBAOQG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.963,260-478-3,56962-08-4,"4,5-dichlorophthalic acid","4,5-dichlorophthalic acid",OC(=O)c1cc(Cl)c(Cl)cc1C(=O)O,OC(=O)c1cc(Cl)c(Cl)cc1C(=O)O,"InChI=1/C8H4Cl2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)",C8H4Cl2O4,,,,,,FDOQKGWUMUEJLX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.965,260-480-4,56966-52-0,"5-chloro-2-(2,4-dichlorophenoxy)aniline","5-chloro-2-(2,4-dichlorophenoxy)aniline",Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,"InChI=1/C12H8Cl3NO/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H,16H2",C12H8Cl3NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17367,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.965,SOOLDKUMSVNBIW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.966,260-482-5,56966-69-9,2-chloro-4-nitro-1-phenoxybenzene,2-chloro-4-nitro-1-phenoxybenzene,[O-][N+](=O)c1ccc(Oc2ccccc2)c(Cl)c1,[O-][N+](=O)c1ccc(Oc2ccccc2)c(Cl)c1,InChI=1/C12H8ClNO3/c13-11-8-9(14(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8H,C12H8ClNO3,,,,,,ZIDYALDTDUSPFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.970,260-486-7,56973-85-4,"1-(5,5-dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one","1-(5,5-dimethylcyclohex-1-en-1-yl)pent-4-en-1-one",CC1(C)CCC=C(C1)C(=O)CCC=C,CC1(C)CCC=C(C1)C(=O)CCC=C,"InChI=1/C13H20O/c1-4-5-8-12(14)11-7-6-9-13(2,3)10-11/h4,7H,1,5-6,8-10H2,2-3H3",C13H20O,,,,,,OEVIJAZJVZDBQL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.976,260-493-5,56974-60-8,"Di[1,3,5-triazine-2,4,6-triamine] phosphate","1,3,5-triazine-2,4,6-triamine phosphate (2:1)",Nc1nc(N)nc(N)n1.OP(O)(=O)O.Nc1nc(N)nc(N)n1,Nc1nc(N)nc(N)n1.OP(O)(=O)O.Nc1nc(N)nc(N)n1,"InChI=1/2C3H6N6.H3O4P/c2*4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h2*(H6,4,5,6,7,8,9);(H3,1,2,3,4)",C3H6N6.1/2H3O4P,,,,,,QVJYHZQHDMNONA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.068,251-791-6,34010-21-4,(Z)-hexadec-11-enyl acetate,hexadec-11-en-1-yl acetate,CCCC\\C=C/CCCCCCCCCCOC(=O)C,CCCC\C=C/CCCCCCCCCCOC(=O)C,"InChI=1/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3",C18H34O2,,,,,,BTKXLQSCEOHKTF-SREVYHEPSA-N,,,,,,,,,,,
100.047.071,251-794-2,34015-48-0,Methyl DL-lysinate dihydrochloride,methyl L-lysinate dihydrochloride,Cl.Cl.COC(=O)[C@@H](N)CCCCN,Cl.Cl.COC(=O)[C@@H](N)CCCCN,"InChI=1/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H",C7H16N2O2.2ClH,,,,,,SXZCBVCQHOJXDR-ILKKLZGPSA-N,,,,,,,,,,,
100.047.074,251-797-9,34020-20-7,"N2-acetyl-L-asparagine, compound with 2-(dimethylamino)ethanol (1:1)",N~2~-acetyl-L-asparagine - 2-(dimethylamino)ethanol (1:1),CN(C)CCO.CC(=O)N[C@@H](CC(=O)N)C(=O)O,CN(C)CCO.CC(=O)N[C@@H](CC(=O)N)C(=O)O,"InChI=1/C6H10N2O4.C4H11NO/c1-3(9)8-4(6(11)12)2-5(7)10;1-5(2)3-4-6/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12);6H,3-4H2,1-2H3",C6H10N2O4.C4H11NO,,,,,,RZTZUYWLKUADNV-WCCKRBBISA-N,,,,,,,,,,,
100.047.079,251-804-5,34039-01-5,p-fluorophenyl 4-(p-fluorophenyl)-4-hydroxy-1-methyl-3-piperidyl ketone hydrochloride,(4-fluorophenyl)[4-(4-fluorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone hydrochloride,Cl.CN1CCC(O)(C(C1)C(=O)c2ccc(F)cc2)c3ccc(F)cc3,Cl.CN1CCC(O)(C(C1)C(=O)c2ccc(F)cc2)c3ccc(F)cc3,"InChI=1/C19H19F2NO2.ClH/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13;/h2-9,17,24H,10-12H2,1H3;1H",C19H19F2NO2.ClH,,,,,,CYOZUHQDTNOEIO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.090,251-816-0,34068-01-4,1-[3-(phenylmethoxy)phenyl]ethan-1-one,1-[3-(benzyloxy)phenyl]ethanone,CC(=O)c1cccc(OCc2ccccc2)c1,CC(=O)c1cccc(OCc2ccccc2)c1,"InChI=1/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3",C15H14O2,,,,,,FGQMEAWGAUALJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.093,251-819-7,34074-95-8,"2,2'-(1,4-phenylenediisopropylidene)bis[4,6-xylenol]","2,2'-(1,4-phenylenedipropane-2,2-diyl)bis(4,6-dimethylphenol)",Cc1cc(C)c(O)c(c1)C(C)(C)c2ccc(cc2)C(C)(C)c3cc(C)cc(C)c3O,Cc1cc(C)c(O)c(c1)C(C)(C)c2ccc(cc2)C(C)(C)c3cc(C)cc(C)c3O,"InChI=1/C28H34O2/c1-17-13-19(3)25(29)23(15-17)27(5,6)21-9-11-22(12-10-21)28(7,8)24-16-18(2)14-20(4)26(24)30/h9-16,29-30H,1-8H3",C28H34O2,,,,,,SXSQTVIVGPPWKI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.308,267-459-9,67874-22-0,"1-[2-[(2-cyanoethyl)(1-oxoicosyl)amino]ethyl]-1-ethyl-4,5-dihydro-2-nonadecyl-1H-imidazolium ethyl sulphate","1-{2-[(2-cyanoethyl)(icosanoyl)amino]ethyl}-1-ethyl-2-nonadecyl-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C49H95N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-48-51-43-46-53(48,6-3)47-45-52(44-39-42-50)49(54)41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-41,43-47H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C49H95N4O.C2H5O4S,,,,,,DRXGOYXMFMEQCS-UHFFFAOYSA-M,,,,,,,,,,,
100.061.321,267-474-0,67874-44-6,"Bis(2-mercaptoethyl) 3,3'-thiobispropionate","bis(2-sulfanylethyl) 3,3'-sulfanediyldipropanoate",SCCOC(=O)CCSCCC(=O)OCCS,SCCOC(=O)CCSCCC(=O)OCCS,"InChI=1/C10H18O4S3/c11-9(13-3-5-15)1-7-17-8-2-10(12)14-4-6-16/h15-16H,1-8H2",C10H18O4S3,,,,,,FZSIEPOWYMJQCT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.324,267-477-7,67874-48-0,"4,4-dimethyl-9-oxo-8-oxa-3,5-dithia-4-stannadecyl acetate","4,4-dimethyl-9-oxo-8-oxa-3,5-dithia-4-stannadec-1-yl acetate (non-preferred name)",CC(=O)OCCS[Sn](C)(C)SCCOC(=O)C,CC(=O)OCCS[Sn](C)(C)SCCOC(=O)C,"InChI=1/2C4H8O2S.2CH3.Sn/c2*1-4(5)6-2-3-7;;;/h2*7H,2-3H2,1H3;2*1H3;/q;;;;+2/p-2/rC10H20O4S2Sn/c1-9(11)13-5-7-15-17(3,4)16-8-6-14-10(2)12/h5-8H2,1-4H3",C10H20O4S2Sn,,,,,,STOFNUJASTWSKI-UHFFFAOYSA-L,,,,,,,,,,,
100.061.340,267-495-5,67874-67-3,Methyl 2-(decylideneamino)benzoate,methyl 2-(decylideneamino)benzoate,COC(=O)c1ccccc1N=CCCCCCCCCC,COC(=O)c1ccccc1N=CCCCCCCCCC,"InChI=1/C18H27NO2/c1-3-4-5-6-7-8-9-12-15-19-17-14-11-10-13-16(17)18(20)21-2/h10-11,13-15H,3-9,12H2,1-2H3",C18H27NO2,,,,,,IKRROOGGEXPVSO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.344,267-499-7,67874-71-9,Bismuth tris(2-ethylhexanoate),bismuth(3+) tris(2-ethylhexanoate),[BiH3+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[BiH3+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Bi.3H/c3*1-3-5-6-7(4-2)8(9)10;;;;/h3*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;+3;;;/p-3/r3C8H16O2.BiH3/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3/q;;;+3/p-3",C8H16O2.1/3Bi,,,,,,YSHSHVHVNURLRI-UHFFFAOYSA-K,,,,,,,,,,,
100.061.345,267-500-0,67874-72-0,2-tert-pentylcyclohexyl acetate,"2-(1,1-dimethylpropyl)cyclohexyl acetate",CCC(C)(C)C1CCCCC1OC(=O)C,CCC(C)(C)C1CCCCC1OC(=O)C,"InChI=1/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3",C13H24O2,,,,,,YEVACTAGDANHRH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.377,264-234-7,63467-30-1,N-(anilinothioxomethyl)-3-(isopropylidene)carbazamidine,2-isopropylidene-N-(phenylcarbamothioyl)hydrazinecarboximidamide,CC(=NNC(=N)NC(=S)Nc1ccccc1)C,CC(=NNC(=N)NC(=S)Nc1ccccc1)C,"InChI=1/C11H15N5S/c1-8(2)15-16-10(12)14-11(17)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H4,12,13,14,16,17)",C11H15N5S,,,,,,FWFDSNTZHZXYAD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.138,241-968-6,18054-62-1,"4,5-diphenyl-2H-imidazol-2-one","4,5-diphenyl-2H-imidazol-2-one",O=C1N=C(C(=N1)c2ccccc2)c3ccccc3,O=C1N=C(C(=N1)c2ccccc2)c3ccccc3,InChI=1/C15H10N2O/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,C15H10N2O,,,,,,OTLLZASEKLGFMH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.620,233-696-1,10315-98-7,4-isobutylmorpholine,4-isobutylmorpholine,CC(C)CN1CCOCC1,CC(C)CN1CCOCC1,"InChI=1/C8H17NO/c1-8(2)7-9-3-5-10-6-4-9/h8H,3-7H2,1-2H3",C8H17NO,,,,,,QKVSMSABRNCNRS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.621,233-697-7,10316-79-7,1-aminocyclopentanemethanol,(1-aminocyclopentyl)methanol,NC1(CO)CCCC1,NC1(CO)CCCC1,"InChI=1/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2",C6H13NO,,,,,,PDNZJLMPXLQDPL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.622,233-698-2,10318-18-0,DL-cysteine hydrochloride hydrate,cysteine hydrochloride hydrate,O.Cl.NC(CS)C(=O)O,O.Cl.NC(CS)C(=O)O,"InChI=1/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2",C3H7NO2S.ClH,,,,,,QIJRTFXNRTXDIP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.875,233-976-3,10479-25-1,N-ethyldibenzylamine,"N,N-dibenzylethanamine",CCN(Cc1ccccc1)Cc2ccccc2,CCN(Cc1ccccc1)Cc2ccccc2,"InChI=1/C16H19N/c1-2-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3",C16H19N,,,,,,WBGPDYJIPNTOIB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.882,233-984-7,10482-53-8,"(Z,Z,Z)-heptadeca-1,8,11,14-tetraene","heptadeca-1,8,11,14-tetraene",CC\\C=C/C\\C=C/C\\C=C/CCCCCC=C,CC\C=C/C\C=C/C\C=C/CCCCCC=C,"InChI=1/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3",C17H28,,,,,,JXRNMQDTJAQLAQ-UTZXOHNXSA-N,,,,,,,,,,,
100.030.888,233-991-5,10484-03-4,"N-(2,4-dinitrophenyl)-DL-leucine","N-(2,4-dinitrophenyl)-L-leucine",CC(C)C[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,CC(C)C[C@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C12H15N3O6/c1-7(2)5-10(12(16)17)13-9-4-3-8(14(18)19)6-11(9)15(20)21/h3-4,6-7,10,13H,5H2,1-2H3,(H,16,17)",C12H15N3O6,,,,,,STMDPCBYJCIZOD-JTQLQIEISA-N,,,,,,,,,,,
100.030.890,233-993-6,10484-13-6,4-[[(4-methoxyphenyl)methylene]amino]phenyl acetate,4-[(4-methoxybenzylidene)amino]phenyl acetate,COc2ccc(C=Nc1ccc(OC(C)=O)cc1)cc2,COc2ccc(C=Nc1ccc(OC(C)=O)cc1)cc2,"InChI=1/C16H15NO3/c1-12(18)20-16-9-5-14(6-10-16)17-11-13-3-7-15(19-2)8-4-13/h3-11H,1-2H3",C16H15NO3,,,,,,HOYWVKUPOCFKOT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.892,233-995-7,10484-35-2,Pentyl myristate,pentyl myristate,CCCCCCCCCCCCCC(=O)OCCCCC,CCCCCCCCCCCCCC(=O)OCCCCC,"InChI=1/C19H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19(20)21-18-16-6-4-2/h3-18H2,1-2H3",C19H38O2,,,,,,QPXYWTUZRZEUAK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.898,234-001-4,10486-12-1,"(-)-3,7-dimethyloct-7-enyl benzoate","3,7-dimethyloct-7-en-1-yl benzoate",CC(CCCC(=C)C)CCOC(=O)c1ccccc1,CC(CCCC(=C)C)CCOC(=O)c1ccccc1,"InChI=1/C17H24O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,10-11,15H,1,7-9,12-13H2,2-3H3",C17H24O2,,,,,,WAMANGVSGOBEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.900,234-004-0,10486-19-8,Tridecanal,tridecanal,CCCCCCCCCCCCC=O,CCCCCCCCCCCCC=O,"InChI=1/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3",C13H26O,,,,,,BGEHHAVMRVXCGR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.903,234-007-7,10486-47-2,"4-amino-2,3,6-trimethylphenol hydrochloride","4-amino-2,3,6-trimethylphenol hydrochloride",Cl.Cc1cc(N)c(C)c(C)c1O,Cl.Cc1cc(N)c(C)c(C)c1O,"InChI=1/C9H13NO.ClH/c1-5-4-8(10)6(2)7(3)9(5)11;/h4,11H,10H2,1-3H3;1H",C9H13NO.ClH,,,,,,BQWKRBMMHCSQOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.907,234-011-9,10488-36-5,Tofenacin hydrochloride,N-methyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine hydrochloride,Cl.CNCCOC(c1ccccc1)c2ccccc2C,Cl.CNCCOC(c1ccccc1)c2ccccc2C,"InChI=1/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H",C17H21NO.ClH,,,,,,YAXWIYFUVISXRS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.909,234-014-5,10489-46-0,Dirhodium trisulphate,dirhodium trisulphate,[Rh+2].[Rh+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Rh+2].[Rh+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Rh/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+2/p-6",H2O4S.2/3Rh,,,,,,PQOWTXOMLDJPBY-UHFFFAOYSA-H,,,,,,,,,,,
100.030.910,234-015-0,10489-75-5,"2,3-dihydro-1,4-dithiino[2,3-c]furan-5,7-dione","2,3-dihydro[1,4]dithiino[2,3-c]furan-5,7-dione",O=C1OC(=O)C2=C1SCCS2,O=C1OC(=O)C2=C1SCCS2,InChI=1/C6H4O3S2/c7-5-3-4(6(8)9-5)11-2-1-10-3/h1-2H2,C6H4O3S2,,,,,,MXSSHXZXAAXCOW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.915,234-020-8,10493-98-8,2-hydroxycyclopent-2-en-1-one,2-hydroxycyclopent-2-en-1-one,OC1=CCCC1=O,OC1=CCCC1=O,"InChI=1/C5H6O2/c6-4-2-1-3-5(4)7/h2,6H,1,3H2",C5H6O2,,,,,,WOPKYMRPOKFYNI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.236,236-575-1,13438-30-7,5-nitroisophthaloyl chloride,5-nitroisophthaloyl dichloride,[O-][N+](=O)c1cc(cc(c1)C(=O)Cl)C(=O)Cl,[O-][N+](=O)c1cc(cc(c1)C(=O)Cl)C(=O)Cl,InChI=1/C8H3Cl2NO4/c9-7(12)4-1-5(8(10)13)3-6(2-4)11(14)15/h1-3H,C8H3Cl2NO4,,,,,,OHIVUAREQFICPK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.243,236-583-5,13443-29-3,"2,3-epoxypropyl benzoate",oxiran-2-ylmethyl benzoate,O=C(OCC1CO1)c2ccccc2,O=C(OCC1CO1)c2ccccc2,"InChI=1/C10H10O3/c11-10(13-7-9-6-12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2",C10H10O3,,,,,,XRQKARZTFMEBBY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.019,267-140-4,67801-20-1,"3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-ol","3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol",CC(O)C(C)C=CC1C\\C=C(\\C)C1(C)C,CC(O)C(C)C=CC1C\C=C(\C)C1(C)C,"InChI=1/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,12-13,15H,9H2,1-5H3",C14H24O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11735,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.019,RNLHVODSMDJCBR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.020,267-142-5,67801-21-2,2-(2-furylmethylene)heptan-1-al,2-(2-furylmethylene)heptanal,O=CC(CCCCC)=Cc1ccco1,O=CC(CCCCC)=Cc1ccco1,"InChI=1/C12H16O2/c1-2-3-4-6-11(10-13)9-12-7-5-8-14-12/h5,7-10H,2-4,6H2,1H3",C12H16O2,,,,,,VYGHECBPCQNYIS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.022,267-144-6,67801-23-4,2-isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate,2-isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate,O=C(OC1CC(C)CCC1C(C)C)C(C)=CC,O=C(OC1CC(C)CCC1C(C)C)C(C)=CC,"InChI=1/C15H26O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h6,10-11,13-14H,7-9H2,1-5H3",C15H26O2,,,,,,HCXHHVYXOBMFPA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.023,267-145-1,67801-24-5,2-isopropyl-5-methylcyclohexyl 2-ethylacrylate,2-isopropyl-5-methylcyclohexyl 2-methylenebutanoate,CCC(=C)C(=O)OC1CC(C)CCC1C(C)C,CCC(=C)C(=O)OC1CC(C)CCC1C(C)C,"InChI=1/C15H26O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-11,13-14H,5-9H2,1-4H3",C15H26O2,,,,,,JOORVZPXBJMPEI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.025,267-147-2,67801-27-8,"2,3,6-trimethylcyclohexylmethyl acetate","(2,3,6-trimethylcyclohexyl)methyl acetate",CC1CCC(C)C(COC(=O)C)C1C,CC1CCC(C)C(COC(=O)C)C1C,"InChI=1/C12H22O2/c1-8-5-6-9(2)12(10(8)3)7-14-11(4)13/h8-10,12H,5-7H2,1-4H3",C12H22O2,,,,,,YHSAULCEFFMJLK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.027,267-149-3,67801-29-0,"3-methyl-4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one","3-methyl-4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one",CC1CC(\\C)=C/C(C)C1C=C(C)C(C)=O,CC1CC(\C)=C/C(C)C1C=C(C)C(C)=O,"InChI=1/C14H22O/c1-9-6-11(3)14(12(4)7-9)8-10(2)13(5)15/h6,8,11-12,14H,7H2,1-5H3",C14H22O,,,,,,PBKBMLILZYXPBO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.031,267-154-0,67801-33-6,3-(hydroxymethyl)nonan-2-one,3-(hydroxymethyl)nonan-2-one,CCCCCCC(CO)C(=O)C,CCCCCCC(CO)C(=O)C,"InChI=1/C10H20O2/c1-3-4-5-6-7-10(8-11)9(2)12/h10-11H,3-8H2,1-2H3",C10H20O2,,,,,,DIZUHEORFPDTIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.032,267-155-6,67801-35-8,"3-[(2-mercapto-1-methylpropyl)thio]butan-2-ol, monosodium salt",-,[Na+].CC(O)C(C)SC(C)C(C)S,[Na+].CC(O)C(C)SC(C)C(C)S,"InChI=1/C8H18OS2.Na/c1-5(9)7(3)11-8(4)6(2)10;/h5-10H,1-4H3;/q;+1",C8H18OS2.Na,,,,,,NOPPVMNVQAVKKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.040,267-164-5,67801-43-8,p-tolyl 3-oxo-3-phenylpropionate,4-methylphenyl 3-oxo-3-phenylpropanoate,Cc1ccc(OC(=O)CC(=O)c2ccccc2)cc1,Cc1ccc(OC(=O)CC(=O)c2ccccc2)cc1,"InChI=1/C16H14O3/c1-12-7-9-14(10-8-12)19-16(18)11-15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3",C16H14O3,,,,,,MWPINOUUZCUQDV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.043,267-167-1,67801-46-1,1-hydroxynonan-3-one,1-hydroxynonan-3-one,CCCCCCC(=O)CCO,CCCCCCC(=O)CCO,"InChI=1/C9H18O2/c1-2-3-4-5-6-9(11)7-8-10/h10H,2-8H2,1H3",C9H18O2,,,,,,KCTDZLVBGWXNSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.044,267-168-7,67801-47-2,"Methyl 2-[(3,7-dimethyl-2,6-octadienylidene)amino]benzoate","methyl 2-[(3,7-dimethylocta-2,6-dien-1-ylidene)amino]benzoate",COC(=O)c1ccccc1N=CC=C(C)CC\\C=C(/C)C,COC(=O)c1ccccc1N=CC=C(C)CC\C=C(/C)C,"InChI=1/C18H23NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,8,10-13H,7,9H2,1-4H3",C18H23NO2,,,,,,JWXAUDGXBFALGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.049,267-173-4,67801-54-1,"Dimethyl 9-oxo-9H-fluorene-2,6-dicarboxylate","dimethyl 9-oxo-9H-fluorene-2,6-dicarboxylate",COC(=O)c1ccc2c(c1)C(=O)c3ccc(cc23)C(=O)OC,COC(=O)c1ccc2c(c1)C(=O)c3ccc(cc23)C(=O)OC,"InChI=1/C17H12O5/c1-21-16(19)9-4-6-12-13(7-9)11-5-3-10(17(20)22-2)8-14(11)15(12)18/h3-8H,1-2H3",C17H12O5,,,,,,QOPVBVXFXFHNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.054,267-179-7,67801-59-6,"Dimethyl 6-oxo-6H-dibenzo[b,d]pyran-4,8-dicarboxylate","dimethyl 6-oxo-6H-benzo[c]chromene-4,8-dicarboxylate",COC(=O)c1ccc2c(c1)C(=O)Oc3c(cccc23)C(=O)OC,COC(=O)c1ccc2c(c1)C(=O)Oc3c(cccc23)C(=O)OC,"InChI=1/C17H12O6/c1-21-15(18)9-6-7-10-11-4-3-5-12(16(19)22-2)14(11)23-17(20)13(10)8-9/h3-8H,1-2H3",C17H12O6,,,,,,YNIKZBLWNYWZRB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.390,266-450-7,66693-26-3,"N-[5-[bis[2-(2-cyanoethoxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]propionamide","N-(5-{bis[2-(2-cyanoethoxy)ethyl]amino}-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl)propanamide",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(=O)CC)N(CCOCCC#N)CCOCCC#N)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(=O)CC)N(CCOCCC#N)CCOCCC#N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C26H29ClN8O8/c1-3-25(36)30-20-16-22(33(8-12-42-10-4-6-28)9-13-43-11-5-7-29)24(41-2)17-21(20)31-32-26-19(27)14-18(34(37)38)15-23(26)35(39)40/h14-17H,3-5,8-13H2,1-2H3,(H,30,36)",C26H29ClN8O8,,,,,,DQUNXALCFQCDEO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.980,260-497-7,56980-93-9,Celiprolol,"3-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-1,1-diethylurea",CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,"InChI=1/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)",C20H33N3O4,,,,,,JOATXPAWOHTVSZ-UHFFFAOYSA-N,Positive/Negative,EQ301501|EQ301502|EQ301503|EQ301504|EQ301505|EQ301506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,380.2546:307.1654:324.1919|251.1029:307.1653:306.1814|74.0601:74.0964:251.1028|74.0601:74.0964:100.0757|74.06:74.0964:56.0496|74.0601:56.0496:74.0964,Eawag,EQ301551|EQ301552|EQ301553|EQ301554|EQ301555|EQ301556,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,378.2396:248.1166:219.0775|248.1165:219.0774:176.0715|176.0712:219.0774:176.0361|176.0711:190.0873:219.0774|176.0712:176.036:190.0874|176.0714:134.0611:134.0249,Eawag
100.054.984,260-501-7,56985-74-1,Sodium 2-bromopropionate,sodium 2-bromopropanoate,[Na+].CC(Br)C(=O)[O-],[Na+].CC(Br)C(=O)[O-],"InChI=1/C3H5BrO2.Na/c1-2(4)3(5)6;/h2H,1H3,(H,5,6);/q;+1/p-1",C3H5BrO2.Na,,,,,,NHEFSTXHZRGAIH-UHFFFAOYSA-M,,,,,,,,,,,
100.054.986,260-503-8,56995-20-1,Flupirtine,ethyl {2-amino-6-[(4-fluorobenzyl)amino]pyridin-3-yl}carbamate,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N,"InChI=1/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)",C15H17FN4O2,,,,,,JUUFBMODXQKSTD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.146,241-977-5,18069-79-9,"Estra-1,3,5(10)-triene-3,17ß-diol 17-butyrate","3-hydroxyestra-1,3,5(10)-trien-17-yl butyrate",CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,"InChI=1/C22H30O3/c1-3-4-21(24)25-20-10-9-19-18-7-5-14-13-15(23)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20,23H,3-5,7,9-12H2,1-2H3",C22H30O3,,,,,,XRKFWLKYSYKIKT-KOVVAJLHSA-N,,,,,,,,,,,
100.038.147,241-978-0,18071-35-7,Dipropylaminoacetonitrile,(dipropylamino)acetonitrile,CCCN(CCC)CC#N,CCCN(CCC)CC#N,"InChI=1/C8H16N2/c1-3-6-10(7-4-2)8-5-9/h3-4,6-8H2,1-2H3",C8H16N2,,,,,,ZFQYTSCUGODUDB-UHFFFAOYSA-N,,,,,,,,,,,
100.038.149,241-980-1,18073-15-9,"6-methoxy-1,4-dimethyl-9H-carbazole-3-carbaldehyde","6-methoxy-1,4-dimethyl-9H-carbazole-3-carbaldehyde",COc1ccc2[nH]c3c(C)cc(C=O)c(C)c3c2c1,COc1ccc2[nH]c3c(C)cc(C=O)c(C)c3c2c1,"InChI=1/C16H15NO2/c1-9-6-11(8-18)10(2)15-13-7-12(19-3)4-5-14(13)17-16(9)15/h4-8,17H,1-3H3",C16H15NO2,,,,,,CPXAGPKGSHRHIO-UHFFFAOYSA-N,,,,,,,,,,,
100.038.151,241-982-2,18076-61-4,1H-benzotriazol-4-amine,1H-benzotriazol-4-amine,Nc1cccc2[nH]nnc12,Nc1cccc2[nH]nnc12,"InChI=1/C6H6N4/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2,(H,8,9,10)",C6H6N4,,,,,,ZDWPBMJZDNXTPG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.157,241-989-0,18080-73-4,Sodium tetracosanoate,sodium tetracosanoate,[Na+].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C24H48O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1",C24H48O2.Na,,,,,,ROYMYVICTPBXGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.038.180,242-014-1,18126-02-8,3-(2-hydroxy-1-phenylethyl)-2-iminothiazolidine toluene-p-sulphonate,"2-(2-imino-1,3-thiazolidin-3-yl)-2-phenylethanol 4-methylbenzenesulfonate (salt)",Cc1ccc(cc1)S(=O)(=O)O.OCC(N2CCSC2=N)c3ccccc3,Cc1ccc(cc1)S(=O)(=O)O.OCC(N2CCSC2=N)c3ccccc3,"InChI=1/C11H14N2OS.C7H8O3S/c12-11-13(6-7-15-11)10(8-14)9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10,12,14H,6-8H2;2-5H,1H3,(H,8,9,10)",C11H14N2OS.C7H8O3S,,,,,,DFWJDDKMXSBZTD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.184,242-018-3,18132-72-4,"1,3-bis(3-chloropropyl)-1,1,3,3-tetramethyldisiloxane","1,3-bis(3-chloropropyl)-1,1,3,3-tetramethyldisiloxane",C[Si](C)(CCCCl)O[Si](C)(C)CCCCl,C[Si](C)(CCCCl)O[Si](C)(C)CCCCl,"InChI=1/C10H24Cl2OSi2/c1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h5-10H2,1-4H3",C10H24Cl2OSi2,,,,,,OILWIZSTLQQEBD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.921,234-027-6,10496-75-0,2-methoxy-5-nitrobenzonitrile,2-methoxy-5-nitrobenzonitrile,COc1ccc(cc1C#N)[N+](=O)[O-],COc1ccc(cc1C#N)[N+](=O)[O-],"InChI=1/C8H6N2O3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,1H3",C8H6N2O3,,,,,,LTYIIDMVVUWOGP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.922,234-028-1,10497-05-9,Tris(trimethylsilyl) phosphate,tris(trimethylsilyl) phosphate,C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C,C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3",C9H27O4PSi3,,,,,,QJMMCGKXBZVAEI-UHFFFAOYSA-N,,,,,,,,,,,
100.030.924,234-030-2,10500-57-9,"5,6,7,8-tetrahydroquinoline","5,6,7,8-tetrahydroquinoline",C1CCc2ncccc2C1,C1CCc2ncccc2C1,"InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2",C9H11N,,,,,,YQDGQEKUTLYWJU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.926,234-032-3,10504-60-6,Methyldiphenylsulphonium tetrafluoroborate(1-),methyl(diphenyl)sulfonium tetrafluoroborate,C[S+](c1ccccc1)c2ccccc2.F[B-](F)(F)F,C[S+](c1ccccc1)c2ccccc2.F[B-](F)(F)F,"InChI=1/C13H13S.BF4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1(3,4)5/h2-11H,1H3;/q+1;-1",C13H13S.BF4,,,,,,LHAMVDBAOJCBDW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.928,234-034-4,10505-41-6,3-ethyl-5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-2-thioxooxazolidin-4-one,"3-ethyl-5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-thioxo-1,3-oxazolidin-4-one",CCN2CCSC2=CC=C1OC(=S)N(CC)C1=O,CCN2CCSC2=CC=C1OC(=S)N(CC)C1=O,"InChI=1/C12H16N2O2S2/c1-3-13-7-8-18-10(13)6-5-9-11(15)14(4-2)12(17)16-9/h5-6H,3-4,7-8H2,1-2H3",C12H16N2O2S2,,,,,,GXONTCVUWDZAFL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.929,234-036-5,10505-45-0,3-ethyl-5-(3-methylthiazolidin-2-ylidene)rhodanine,"3'-ethyl-3-methyl-2'-thioxo-2,5'-bi-1,3-thiazolidin-4'-one",CN2CCSC2=C1SC(=S)N(CC)C1=O,CN2CCSC2=C1SC(=S)N(CC)C1=O,"InChI=1/C9H12N2OS3/c1-3-11-7(12)6(15-9(11)13)8-10(2)4-5-14-8/h3-5H2,1-2H3",C9H12N2OS3,,,,,,LLNMOYQUPSTPAA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.397,264-256-7,63468-75-7,Sodium 3-(o-nitrophenyl)pyruvate,sodium 3-(2-nitrophenyl)-2-oxopropanoate,[Na+].[O-]C(=O)C(=O)Cc1ccccc1[N+](=O)[O-],[Na+].[O-]C(=O)C(=O)Cc1ccccc1[N+](=O)[O-],"InChI=1/C9H7NO5.Na/c11-8(9(12)13)5-6-3-1-2-4-7(6)10(14)15;/h1-4H,5H2,(H,12,13);/q;+1/p-1",C9H7NO5.Na,,,,,,MJWPDORYZRKZTE-UHFFFAOYSA-M,,,,,,,,,,,
100.058.404,264-264-0,63476-94-8,(E)-(diphenylmethyl)[3-(2-ethoxy-5-prop-1-enylphenoxy)-2-hydroxypropyl]ammonium chloride,N-(diphenylmethyl)-3-(2-ethoxy-5-prop-1-en-1-ylphenoxy)-2-hydroxypropan-1-aminium chloride,[Cl-].CCOc1ccc(\\C=C\\C)cc1OCC(O)C[NH2+]C(c2ccccc2)c3ccccc3,[Cl-].CCOc1ccc(\C=C\C)cc1OCC(O)C[NH2+]C(c2ccccc2)c3ccccc3,"InChI=1/C27H31NO3.ClH/c1-3-11-21-16-17-25(30-4-2)26(18-21)31-20-24(29)19-28-27(22-12-7-5-8-13-22)23-14-9-6-10-15-23;/h3,5-18,24,27-29H,4,19-20H2,1-2H3;1H",C27H31NO3.ClH,,,,,,HGRCRELSKYMKFM-KODGKZAJSA-N,,,,,,,,,,,
100.058.405,264-265-6,63482-34-8,"4-vinylcyclohexene-1,4-dicarbaldehyde","4-vinylcyclohex-1-ene-1,4-dicarbaldehyde",C=CC1(CCC(=CC1)C=O)C=O,C=CC1(CCC(=CC1)C=O)C=O,"InChI=1/C10H12O2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h2-3,7-8H,1,4-6H2",C10H12O2,,,,,,DMZMZBUQFDOHPN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.408,264-268-2,63489-63-4,"3,3'-methylenebis[tetrahydro-2H-1,3-oxazine]","3,3'-methylenebis(1,3-oxazinane)",C(N1CCCOC1)N2CCCOC2,C(N1CCCOC1)N2CCCOC2,InChI=1/C9H18N2O2/c1-3-10(8-12-5-1)7-11-4-2-6-13-9-11/h1-9H2,C9H18N2O2,,,,,,GJBKLYJVZOTRSP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.410,264-270-3,63494-56-4,"N-[4,5-dichloro-2-(ethylamino)phenyl]acetamide","N-[4,5-dichloro-2-(ethylamino)phenyl]acetamide",CCNc1cc(Cl)c(Cl)cc1NC(=O)C,CCNc1cc(Cl)c(Cl)cc1NC(=O)C,"InChI=1/C10H12Cl2N2O/c1-3-13-9-4-7(11)8(12)5-10(9)14-6(2)15/h4-5,13H,3H2,1-2H3,(H,14,15)",C10H12Cl2N2O,,,,,,SFXFWZPDBVKUOF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.411,264-271-9,63494-59-7,2-[ethyl(3-methyl-4-nitrosophenyl)amino]-N-methylethanesulphonamide,2-[ethyl(3-methyl-4-nitrosophenyl)amino]-N-methylethanesulfonamide,CCN(CCS(=O)(=O)NC)c1ccc(N=O)c(C)c1,CCN(CCS(=O)(=O)NC)c1ccc(N=O)c(C)c1,"InChI=1/C12H19N3O3S/c1-4-15(7-8-19(17,18)13-3)11-5-6-12(14-16)10(2)9-11/h5-6,9,13H,4,7-8H2,1-3H3",C12H19N3O3S,,,,,,VRTOUXLCIHBNSF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.252,259-697-7,55526-73-3,"O,O-bis(4-tert-butylphenyl) N-cyclohexylphosphoramidothioate","O,O-bis(4-tert-butylphenyl) cyclohexylamidothiophosphate",CC(C)(C)c1ccc(OP(=S)(NC2CCCCC2)Oc3ccc(cc3)C(C)(C)C)cc1,CC(C)(C)c1ccc(OP(=S)(NC2CCCCC2)Oc3ccc(cc3)C(C)(C)C)cc1,"InChI=1/C26H38NO2PS/c1-25(2,3)20-12-16-23(17-13-20)28-30(31,27-22-10-8-7-9-11-22)29-24-18-14-21(15-19-24)26(4,5)6/h12-19,22H,7-11H2,1-6H3,(H,27,31)",C26H38NO2PS,,,,,,XEJUCXJOKQACMB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.267,259-713-2,55585-92-7,N-acetyl-DL-homocysteine,N-acetyl-L-homocysteine,CC(=O)N[C@@H](CCS)C(=O)O,CC(=O)N[C@@H](CCS)C(=O)O,"InChI=1/C6H11NO3S/c1-4(8)7-5(2-3-11)6(9)10/h5,11H,2-3H2,1H3,(H,7,8)(H,9,10)",C6H11NO3S,,,,,,REYLLNRLWCBKCM-YFKPBYRVSA-N,,,,,,,,,,,
100.054.268,259-714-8,55588-51-7,Acetarsol sodium,-,[Na+].CC(=O)Nc1cc(ccc1O)[As](=O)(O)O,[Na+].CC(=O)Nc1cc(ccc1O)[As](=O)(O)O,"InChI=1/C8H10AsNO5.Na/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);/q;+1",C8H10AsNO5.xNa,,,,,,UYQUMYMLNDDPIP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.272,259-719-5,55592-99-9,p-(phenylazo)benzyl chloroformate,4-(phenyldiazenyl)benzyl chlorocarbonate,ClC(=O)OCc2ccc(N=Nc1ccccc1)cc2,ClC(=O)OCc2ccc(N=Nc1ccccc1)cc2,"InChI=1/C14H11ClN2O2/c15-14(18)19-10-11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2",C14H11ClN2O2,,,,,,SBPAKMOTHPSGDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.273,259-720-0,55593-07-2,Pentachlorophenyl N-[(benzyloxy)carbonyl]-L-tyrosinate,pentachlorophenyl N-[(benzyloxy)carbonyl]-L-tyrosinate,Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)cc1,Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)cc1,"InChI=1/C23H16Cl5NO5/c24-16-17(25)19(27)21(20(28)18(16)26)34-22(31)15(10-12-6-8-14(30)9-7-12)29-23(32)33-11-13-4-2-1-3-5-13/h1-9,15,30H,10-11H2,(H,29,32)",C23H16Cl5NO5,,,,,,BFSGPTSTLLURBH-HNNXBMFYSA-N,,,,,,,,,,,
100.054.281,259-728-4,55621-49-3,"1,3-dihydro-5,6-diamino-2H-benzimidazol-2-one","5,6-diamino-1,3-dihydro-2H-benzimidazol-2-one",Nc1cc2NC(=O)Nc2cc1N,Nc1cc2NC(=O)Nc2cc1N,"InChI=1/C7H8N4O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,8-9H2,(H2,10,11,12)",C7H8N4O,,,,,,BRISYWKBJNSDPL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.283,259-731-0,55628-97-2,6-[bis(phosphonomethyl)amino]hexanoic acid,6-[bis(phosphonomethyl)amino]hexanoic acid,OC(=O)CCCCCN(CP(=O)(O)O)CP(=O)(O)O,OC(=O)CCCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C8H19NO8P2/c10-8(11)4-2-1-3-5-9(6-18(12,13)14)7-19(15,16)17/h1-7H2,(H,10,11)(H2,12,13,14)(H2,15,16,17)",C8H19NO8P2,,,,,,GOXRTIAORBGHBR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.284,259-732-6,55634-91-8,"Methyl 5-[1-[(allyloxy)amino]butylidene]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate","methyl 5-{1-[(allyloxy)amino]butylidene}-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate",CC1(C)CC(=O)C(C(=O)C1C(=O)OC)=C(CCC)NOCC=C,CC1(C)CC(=O)C(C(=O)C1C(=O)OC)=C(CCC)NOCC=C,"InChI=1/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3",C17H25NO5,,,,,,CBLVUXPPNHUKDE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.750,238-242-6,14306-25-3,"Myo-Inositol, hexakis(dihydrogen phosphate), sodium salt","sodium 2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl hydrogen phosphate",OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Na])C(OP(=O)(O)O)C1OP(=O)(O)O,OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Na])C(OP(=O)(O)O)C1OP(=O)(O)O,"InChI=1/C6H18O24P6.Na/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q;+1/p-1/rC6H17NaO24P6/c7-31-37(23,24)30-6-4(28-35(17,18)19)2(26-33(11,12)13)1(25-32(8,9)10)3(27-34(14,15)16)5(6)29-36(20,21)22/h1-6H,(H,23,24)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)",C6H18O24P6.xNa,,,,,,AXZYGIPYNXQTON-UHFFFAOYSA-M,,,,,,,,,,,
100.034.764,238-257-8,14315-16-3,3-aminobenzanilide,3-amino-N-phenylbenzamide,Nc1cccc(c1)C(=O)Nc2ccccc2,Nc1cccc(c1)C(=O)Nc2ccccc2,"InChI=1/C13H12N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h1-9H,14H2,(H,15,16)",C13H12N2O,,,,,,KPSPULPPMWHXGE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.765,238-258-3,14316-06-4,Methyl D-alaninate hydrochloride,methyl D-alaninate hydrochloride,Cl.COC(=O)[C@@H](C)N,Cl.COC(=O)[C@@H](C)N,"InChI=1/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H",C4H9NO2.ClH,,,,,,IYUKFAFDFHZKPI-AENDTGMFSA-N,,,,,,,,,,,
100.034.769,238-263-0,14320-35-5,"(1a,3aa,4a,6ß,7a,7aa)-octahydro-4,7-methano-1H-indene-1,6-dimethanol","octahydro-1H-4,7-methanoindene-1,6-diyldimethanol",OC[C@H]1CC[C@@H]2[C@@H]3C[C@H](CO)[C@@H](C3)[C@H]12,OC[C@H]1CC[C@@H]2[C@@H]3C[C@H](CO)[C@@H](C3)[C@H]12,"InChI=1/C12H20O2/c13-5-7-1-2-10-8-3-9(6-14)11(4-8)12(7)10/h7-14H,1-6H2",C12H20O2,,,,,,LDQSOXHNCNMAKA-PAUJSFGCSA-N,,,,,,,,,,,
100.034.770,238-264-6,14320-37-7,Cyclopent-3-en-1-one,cyclopent-3-en-1-one,O=C1CC=CC1,O=C1CC=CC1,"InChI=1/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2",C5H6O,,,,,,KQAVUGAZLAPNJY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.780,238-275-6,14331-22-7,"1,2-dihydro-1-naphthyl-5H-tetrazole-5-thione","1-(1-naphthyl)-1,2-dihydro-5H-tetrazole-5-thione",S=C1N=NNN1c2cccc3ccccc23,S=C1N=NNN1c2cccc3ccccc23,"InChI=1/C11H8N4S/c16-11-12-13-14-15(11)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,14,16)",C11H8N4S,,,,,,QUFRGNOIJAGRFY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.784,238-279-8,14332-59-3,Zinc phosphonate,zinc phosphonate,[Zn+2].[O-]P(=O)[O-],[Zn+2].[O-]P(=O)[O-],"InChI=1/H3O3P.Zn/c1-4(2)3;/h4H,(H2,1,2,3);/q;+2/p-2",H3O3P.Zn,,,,,,NGFNIPDMIZZXLP-UHFFFAOYSA-L,,,,,,,,,,,
100.054.944,260-457-9,56942-93-9,"(3aa,4ß,5a,7ß,7aa)-octahydro-4,7-methano-1H-indene-5-methanol","octahydro-1H-4,7-methanoinden-5-ylmethanol",OC[C@H]1C[C@@H]2C[C@H]1[C@H]3CCC[C@@H]23,OC[C@H]1C[C@@H]2C[C@H]1[C@H]3CCC[C@@H]23,"InChI=1/C11H18O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h7-12H,1-6H2",C11H18O,,,,,,HSPRVWPULGKMRC-SAVGLBRCSA-N,,,,,,,,,,,
100.054.960,260-475-7,56961-74-1,1-phenylethyl phenylacetate,1-phenylethyl phenylacetate,CC(OC(=O)Cc1ccccc1)c2ccccc2,CC(OC(=O)Cc1ccccc1)c2ccccc2,"InChI=1/C16H16O2/c1-13(15-10-6-3-7-11-15)18-16(17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3",C16H16O2,,,,,,RVPFKYFDINHICG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.973,260-489-3,56974-05-1,"1-(5,5-dimethylcyclohex-1-en-1-yl)hex-4-en-1-one","1-(5,5-dimethylcyclohex-1-en-1-yl)hex-4-en-1-one",CC1(C)C/C(=C\\CC1)C(=O)CCC=CC,CC1(C)C/C(=C\CC1)C(=O)CCC=CC,"InChI=1/C14H22O/c1-4-5-6-9-13(15)12-8-7-10-14(2,3)11-12/h4-5,8H,6-7,9-11H2,1-3H3",C14H22O,,,,,,HGDOXCOJACXMSA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.979,260-496-1,56975-51-0,"2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-3-methyl-1H-cyclopent-1-ylcyclododecen-1-one","3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[12]annulen-1-one",CC1CC(=O)C2=C1CCCCCCCCCC2,CC1CC(=O)C2=C1CCCCCCCCCC2,"InChI=1/C16H26O/c1-13-12-16(17)15-11-9-7-5-3-2-4-6-8-10-14(13)15/h13H,2-12H2,1H3",C16H26O,,,,,,RSJCZMMJWOHZNN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.988,260-505-9,56999-16-7,"1,1'-oxybis[2,2-diethoxyethane]","2,2'-oxybis(1,1-diethoxyethane)",CCOC(COCC(OCC)OCC)OCC,CCOC(COCC(OCC)OCC)OCC,"InChI=1/C12H26O5/c1-5-14-11(15-6-2)9-13-10-12(16-7-3)17-8-4/h11-12H,5-10H2,1-4H3",C12H26O5,,,,,,ISSXEHJFYXCGSK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.140,241-970-7,18060-77-0,Isopropyl 2-butenoate,isopropyl but-2-enoate,CC(C)OC(=O)C=CC,CC(C)OC(=O)C=CC,"InChI=1/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3",C7H12O2,,,,,,AABBHSMFGKYLKE-UHFFFAOYSA-N,,,,,,,,,,,
100.038.153,241-984-3,18076-99-8,Dichlorovinylsilane,dichloro(vinyl)silane,Cl[SiH](Cl)C=C,Cl[SiH](Cl)C=C,"InChI=1/C2H4Cl2Si/c1-2-5(3)4/h2,5H,1H2",C2H4Cl2Si,,,,,,BSGONOOEHPZOMN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.160,241-992-7,18084-97-4,Chlorotriphenylethylene,"1,1',1''-(2-chloroethene-1,1,2-triyl)tribenzene",ClC(=C(c1ccccc1)c2ccccc2)c3ccccc3,ClC(=C(c1ccccc1)c2ccccc2)c3ccccc3,InChI=1/C20H15Cl/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,C20H15Cl,,,,,,QEQFTTCZLHLKFX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.163,241-995-3,18091-25-3,"2,5-dihydro-2,5-dimethoxy-2,5-dimethylfuran","2,5-dimethoxy-2,5-dimethyl-2,5-dihydrofuran",COC1(C)OC(C)(OC)C=C1,COC1(C)OC(C)(OC)C=C1,"InChI=1/C8H14O3/c1-7(9-3)5-6-8(2,10-4)11-7/h5-6H,1-4H3",C8H14O3,,,,,,MYPFDGJQUXKSFK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.392,266-452-8,66693-28-5,"Sodium 4-[(2-bromo-1-oxoallyl)amino]-2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]benzenesulphonate","sodium 4-[(2-bromoacryloyl)amino]-2-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzenesulfonate",[Na+].O=C2/C(=C(/C)\\C(\\N=Nc1cc(NC(=O)C(Br)=C)ccc1S([O-])(=O)=O)=C(\\O)N2CC)C(N)=O,[Na+].O=C2/C(=C(/C)\C(\N=Nc1cc(NC(=O)C(Br)=C)ccc1S([O-])(=O)=O)=C(\O)N2CC)C(N)=O,"InChI=1/C18H18BrN5O7S.Na/c1-4-24-17(27)13(15(20)25)8(2)14(18(24)28)23-22-11-7-10(21-16(26)9(3)19)5-6-12(11)32(29,30)31;/h5-7,28H,3-4H2,1-2H3,(H2,20,25)(H,21,26)(H,29,30,31);/q;+1/p-1",C18H18BrN5O7S.Na,,,,,,VPKPYBGCJVNQID-UHFFFAOYSA-M,,,,,,,,,,,
100.060.398,266-459-6,66719-32-2,"4,5-dimethyloctan-1-ol","4,5-dimethyloctan-1-ol",CCCC(C)C(C)CCCO,CCCC(C)C(C)CCCO,"InChI=1/C10H22O/c1-4-6-9(2)10(3)7-5-8-11/h9-11H,4-8H2,1-3H3",C10H22O,,,,,,UQKHXPAWOMZBLN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.399,266-460-1,66719-33-3,"4,6-dimethyloctan-1-ol","4,6-dimethyloctan-1-ol",CCC(C)CC(C)CCCO,CCC(C)CC(C)CCCO,"InChI=1/C10H22O/c1-4-9(2)8-10(3)6-5-7-11/h9-11H,4-8H2,1-3H3",C10H22O,,,,,,JOWDWXPTKVUHBV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.400,266-461-7,66719-34-4,"4,7-dimethyloctan-1-ol","4,7-dimethyloctan-1-ol",CC(C)CCC(C)CCCO,CC(C)CCC(C)CCCO,"InChI=1/C10H22O/c1-9(2)6-7-10(3)5-4-8-11/h9-11H,4-8H2,1-3H3",C10H22O,,,,,,UWAGZVFFZJGLJU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.404,266-465-9,66736-54-7,"4-[[3-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","4-[(3-acetamidophenyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S(O)(=O)=O,CC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S(O)(=O)=O,"InChI=1/C22H17N3O6S/c1-11(26)24-12-5-4-6-13(9-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-7-2-3-8-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)",C22H17N3O6S,,,,,,TXLJHCHWQDGXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.407,266-469-0,66747-19-1,"4,6-di(allyloxy)-2-(octadecyloxy)-1,3,5-triazine","2,4-bis(allyloxy)-6-(octadecyloxy)-1,3,5-triazine",CCCCCCCCCCCCCCCCCCOc1nc(OCC=C)nc(OCC=C)n1,CCCCCCCCCCCCCCCCCCOc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C27H47N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-33-27-29-25(31-22-5-2)28-26(30-27)32-23-6-3/h5-6H,2-4,7-24H2,1H3",C27H47N3O3,,,,,,WTDGRGWMSMBATG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.409,266-471-1,66753-01-3,"2-ethyl-2-(hydroxymethyl)propane-1,3-diyl distearate",2-(hydroxymethyl)-2-[(stearoyloxy)methyl]butyl stearate (non-preferred name),CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H82O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(44)46-38-42(6-3,37-43)39-47-41(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h43H,4-39H2,1-3H3",C42H82O5,,,,,,CQDMCVJMVGGZHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.410,266-472-7,66753-64-8,3-(methoxydimethylsilyl)propyl methacrylate,3-[methoxy(dimethyl)silyl]propyl methacrylate,CO[Si](C)(C)CCCOC(=O)C(=C)C,CO[Si](C)(C)CCCOC(=O)C(=C)C,"InChI=1/C10H20O3Si/c1-9(2)10(11)13-7-6-8-14(4,5)12-3/h1,6-8H2,2-5H3",C10H20O3Si,,,,,,JBDMKOVTOUIKFI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.411,266-473-2,66755-26-8,"N-[5-[[bis(1,4-dihydro-4-oxo-2-quinazolinyl)methyl]azo]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-(5-{[bis(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]diazenyl}-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",O=C2\\N=C(/Nc1ccccc12)C(N=Nc6cccc5C(=O)c4c(NC(=O)c3ccccc3)cccc4C(=O)c56)C=8Nc7ccccc7C(=O)N=8,O=C2\N=C(/Nc1ccccc12)C(N=Nc6cccc5C(=O)c4c(NC(=O)c3ccccc3)cccc4C(=O)c56)C=8Nc7ccccc7C(=O)N=8,"InChI=1/C38H23N7O5/c46-32-24-15-9-19-28(30(24)33(47)23-14-8-18-27(29(23)32)41-36(48)20-10-2-1-3-11-20)44-45-31(34-39-25-16-6-4-12-21(25)37(49)42-34)35-40-26-17-7-5-13-22(26)38(50)43-35/h1-19,31H,(H,41,48)(H,39,42,49)(H,40,43,50)",C38H23N7O5,,,,,,MVBJIBIUCFBXNC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.412,266-474-8,66761-03-3,7-acetamido-3-hydroxynaphthalene-1-sulphonic acid,7-acetamido-3-hydroxynaphthalene-1-sulfonic acid,CC(=O)Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)O,CC(=O)Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)O,"InChI=1/C12H11NO5S/c1-7(14)13-9-3-2-8-4-10(15)6-12(11(8)5-9)19(16,17)18/h2-6,15H,1H3,(H,13,14)(H,16,17,18)",C12H11NO5S,,,,,,FQVOHUNTVPFJNU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.423,266-486-3,66810-88-6,Sodium N-(2-hydroxyethyl)-N-octadecylglycinate,sodium [(2-hydroxyethyl)(octadecyl)amino]acetate,[Na+].CCCCCCCCCCCCCCCCCCN(CCO)CC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCN(CCO)CC(=O)[O-],"InChI=1/C22H45NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-20-24)21-22(25)26;/h24H,2-21H2,1H3,(H,25,26);/q;+1/p-1",C22H45NO3.Na,,,,,,DEJFKZOYBGANEG-UHFFFAOYSA-M,,,,,,,,,,,
100.060.426,266-490-5,66840-10-6,"7,7-dimethoxyhept-3-yne","7,7-dimethoxyhept-3-yne",CCC#CCCC(OC)OC,CCC#CCCC(OC)OC,"InChI=1/C9H16O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4,7-8H2,1-3H3",C9H16O2,,,,,,ATHYNGWPIOFAMY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.430,266-494-7,66843-21-8,"1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane","1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane",C1COCCOCCOCCOCCOCCOCCN1,C1COCCOCCOCCOCCOCCOCCN1,"InChI=1/C14H29NO6/c1-3-16-5-7-18-9-11-20-13-14-21-12-10-19-8-6-17-4-2-15-1/h15H,1-14H2",C14H29NO6,,,,,,JBCHLRJXUSEBMN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.930,234-037-0,10506-37-3,O-2-naphthyl chlorothioformate,O-2-naphthyl chlorothiocarbonate,ClC(=S)Oc1ccc2ccccc2c1,ClC(=S)Oc1ccc2ccccc2c1,InChI=1/C11H7ClOS/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,C11H7ClOS,,,,,,INFPIPCTRVDPJG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.932,234-039-1,10507-50-3,Isopropyl (Z)-docos-13-enoate,isopropyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OC(C)C,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C25H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24(2)3/h11-12,24H,4-10,13-23H2,1-3H3",C25H48O2,,,,,,LSVOEQJPCKJJLA-QXMHVHEDSA-N,,,,,,,,,,,
100.030.936,234-043-3,10510-54-0,"3,7-diaminobenzo[b]phenoxazinylium acetate","3,7-diamino-12H-benzo[b]phenoxazin-12-ium acetate",CC(=O)[O-].Nc1ccc2[NH2+]c3cc4cccc(N)c4cc3Oc2c1,CC(=O)[O-].Nc1ccc2[NH2+]c3cc4cccc(N)c4cc3Oc2c1,"InChI=1/C16H13N3O.C2H4O2/c17-10-4-5-13-15(7-10)20-16-8-11-9(6-14(16)19-13)2-1-3-12(11)18;1-2(3)4/h1-8,19H,17-18H2;1H3,(H,3,4)",C16H12N3O.C2H3O2,,,,,,UAYHZCYZNJADKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.941,234-049-6,10516-71-9,3-(m-methoxyphenyl)propionic acid,3-(3-methoxyphenyl)propanoic acid,COc1cccc(CCC(=O)O)c1,COc1cccc(CCC(=O)O)c1,"InChI=1/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)",C10H12O3,,,,,,BJJQJLOZWBZEGA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.943,234-051-7,10517-44-9,"1,3-propanediamine dihydrochloride","propane-1,3-diamine dihydrochloride",Cl.Cl.NCCCN,Cl.Cl.NCCCN,InChI=1/C3H10N2.2ClH/c4-2-1-3-5;;/h1-5H2;2*1H,C3H10N2.2ClH,,,,,,HYOCSVGEQMCOGE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.949,234-058-5,10519-20-7,Ethyl oct-2-ynoate,ethyl oct-2-ynoate,CCCCCC#CC(=O)OCC,CCCCCC#CC(=O)OCC,"InChI=1/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3",C10H16O2,,,,,,QPMDWYXUSMRVKT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.962,234-072-1,10522-41-5,ß-hydroxyphenethyl acetate,2-hydroxy-2-phenylethyl acetate,CC(=O)OCC(O)c1ccccc1,CC(=O)OCC(O)c1ccccc1,"InChI=1/C10H12O3/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3",C10H12O3,,,,,,QGJIFOZQMCBQIP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.963,234-073-7,10523-35-0,2-nonylpyridine,2-nonylpyridine,CCCCCCCCCc1ccccn1,CCCCCCCCCc1ccccn1,"InChI=1/C14H23N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h9-10,12-13H,2-8,11H2,1H3",C14H23N,,,,,,OXXAGZCRGWURQM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.785,238-280-3,14332-60-6,Zinc hydrogen phosphate,zinc hydrogen phosphate,[Zn+2].[O-]P(=O)([O-])[O-],[Zn+2].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.Zn/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+2/p-3",H3O4P.Zn,,,,,,LKCUKVWRIAZXDU-UHFFFAOYSA-K,,,,,,,,,,,
100.034.788,238-284-5,14334-41-9,"4,4-diphenylcyclohexyl(isopropyl)ammonium chloride","N-isopropyl-4,4-diphenylcyclohexanaminium chloride",[Cl-].CC(C)[NH2+]C1CCC(CC1)(c2ccccc2)c3ccccc3,[Cl-].CC(C)[NH2+]C1CCC(CC1)(c2ccccc2)c3ccccc3,"InChI=1/C21H27N.ClH/c1-17(2)22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,17,20,22H,13-16H2,1-2H3;1H",C21H27N.ClH,,,,,,BMBNXHMQMNPCIV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.796,238-292-9,14342-65-5,Calcium anthranilate (1:2),calcium bis(2-aminobenzoate),[CaH2].Nc1ccccc1C(=O)[O-].Nc2ccccc2C(=O)[O-],[CaH2].Nc1ccccc1C(=O)[O-].Nc2ccccc2C(=O)[O-],"InChI=1/2C7H7NO2.Ca.2H/c2*8-6-4-2-1-3-5(6)7(9)10;;;/h2*1-4H,8H2,(H,9,10);;;/q;;+2;;/p-2/r2C7H7NO2.CaH2/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,8H2,(H,9,10);1H2/q;;+2/p-2",C7H7NO2.1/2Ca,,,,,,MAMYLGSTUMNCJU-UHFFFAOYSA-L,,,,,,,,,,,
100.034.802,238-299-7,14348-41-5,3-bromo-4-hydroxybenzoic acid,3-bromo-4-hydroxybenzoic acid,OC(=O)c1ccc(O)c(Br)c1,OC(=O)c1ccc(O)c(Br)c1,"InChI=1/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)",C7H5BrO3,,,,,,XMEQDAIDOBVHEK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.808,238-305-8,14350-96-0,"Disodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium hydroxide",-,[OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,[OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C18H34N2O3.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;;;/h21H,2-16H2,1H3;;;1H2/q;2*+1;",C18H35N2O3.HO.2Na,,,,,,QCZNHFFVLBFHMW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.810,238-307-9,14350-98-2,"Sodium 2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-1H-imidazolium hydroxide","sodium hydroxide 3-[2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate (1:1)",[OH-].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)[O-],[OH-].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)[O-],"InChI=1/C25H50N2O5S.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-26-18-19-27(25,20-21-28)22-24(29)23-33(30,31)32;;/h24,28-29H,2-23H2,1H3;;1H2/q;+1;/p-1",C25H51N2O5S.HO.Na,,,,,,FKHUODNVGOLIJR-UHFFFAOYSA-M,,,,,,,,,,,
100.034.816,238-314-7,14352-51-3,3-iminoisoindolinone,3-amino-1H-isoindol-1-one,NC1=NC(=O)c2ccccc12,NC1=NC(=O)c2ccccc12,"InChI=1/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)",C8H6N2O,,,,,,MMBYJYAFFGKUDC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.991,260-509-0,57009-86-6,"2-(3,4-dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide","2-(3,4-dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide",COc1ccc(cc1OC)C2S(=O)(=O)CCCS2(=O)=O,COc1ccc(cc1OC)C2S(=O)(=O)CCCS2(=O)=O,"InChI=1/C12H16O6S2/c1-17-10-5-4-9(8-11(10)18-2)12-19(13,14)6-3-7-20(12,15)16/h4-5,8,12H,3,6-7H2,1-2H3",C12H16O6S2,,,,,,ODNGPQOKPLSWSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.289,259-737-3,55647-22-8,"5-ß-pregnane-3-a,11-a,20-ß-triol","pregnane-3,11,20-triol",CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC12C,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC12C,"InChI=1/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3",C21H36O3,,,,,,CZHLKVQGWWCQEG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.108,251-835-4,34123-59-6,"3-(4-isopropylphenyl)-1,1-dimethylurea","3-(4-isopropylphenyl)-1,1-dimethylurea",CC(C)c1ccc(NC(=O)N(C)C)cc1,CC(C)c1ccc(NC(=O)N(C)C)cc1,"InChI=1/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)",C12H18N2O,,,,,,PUIYMUZLKQOUOZ-UHFFFAOYSA-N,Positive,AU351801|AU351802|AU351803|AU351804|AU351805;SM838102;EA028601|EA028602|EA028603|EA028604|EA028605|EA028606|EA028607|EA028608|EA028609|EA028610|EA028611|EA028612|EA028613|EA028614;UF400501|UF400502|UF400503|UF400504,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,207.1486:208.1516:165.1011|207.1486:165.1013:134.0955|134.0957:165.1014:162.0891|134.0954:119.0721:118.0638|118.0649:119.0706:134.0958;72.0444:207.1492:165.1023;72.0444:165.1023:207.1495|207.1491:72.0442:165.1017|207.1491:72.0443:165.1021|72.0444:207.1487:165.1022|72.0444:165.1021:134.0963|72.0444:134.0964:91.0543|72.0444:134.0964:91.0542|207.1491:72.0443:165.102|207.1491:72.0443:165.1021|72.0444:207.1492:165.1022|72.0444:165.1022:134.0963|72.0444:134.0963:91.0541|72.0444:134.0963:91.0542|72.0444:165.1022:207.149;72.0442:165.1022:134.0963|72.0442:134.0963:107.0854|72.0442:165.1021:162.0912|72.0442:165.102:162.0912,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.047.111,251-839-6,34131-96-9,"4,4a,5,6,7,8-hexahydro-6-(1-methylethyl)naphthalen-2(3H)-one","6-isopropyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",CC(C)C1CCC2=CC(=O)CCC2C1,CC(C)C1CCC2=CC(=O)CCC2C1,"InChI=1/C13H20O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h8-11H,3-7H2,1-2H3",C13H20O,,,,,,XQKOWLJBFQBFMO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.116,251-844-3,34137-09-2,"(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)triethylene tris[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]","3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid - 1,3,5-trivinyl-1,3,5-triazinane-2,4,6-trione (3:1)",CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.CC(C)(C)c2cc(CCC(=O)O)cc(c2O)C(C)(C)C.CC(C)(C)c3cc(CCC(=O)O)cc(c3O)C(C)(C)C.C=CN4C(=O)N(C=C)C(=O)N(C=C)C4=O,CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.CC(C)(C)c2cc(CCC(=O)O)cc(c2O)C(C)(C)C.CC(C)(C)c3cc(CCC(=O)O)cc(c3O)C(C)(C)C.C=CN4C(=O)N(C=C)C(=O)N(C=C)C4=O,"InChI=1/3C17H26O3.C9H9N3O3/c3*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h3*9-10,20H,7-8H2,1-6H3,(H,18,19);4-6H,1-3H2",C60H87N3O12,,,,,,GDELWVKIFDNRBS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.117,251-845-9,34140-59-5,"[1-ethyl-1-phenyl-2-(3,4,5-trimethoxybenzoyloxy)ethyl]dimethylammonium hydrogen maleate","N,N-dimethyl-2-phenyl-1-[(3,4,5-trimethoxybenzoyl)oxy]butan-2-aminium hydrogen but-2-enedioate",CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)([NH+](C)C)c2ccccc2.[O-]C(=O)\\C=C/C(=O)[O-],CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)([NH+](C)C)c2ccccc2.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/p-1",C22H29NO5.C4H4O4,,,,,,FSRLGULMGJGKGI-BTJKTKAUSA-M,,,,,,,,,,,
100.047.255,251-997-6,34399-67-2,1-bromo-3-(1-ethoxyethoxy)propane,1-bromo-3-(1-ethoxyethoxy)propane,CCOC(C)OCCCBr,CCOC(C)OCCCBr,"InChI=1/C7H15BrO2/c1-3-9-7(2)10-6-4-5-8/h7H,3-6H2,1-2H3",C7H15BrO2,,,,,,OGVSYCZHGUMILG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.347,267-502-1,67874-74-2,"4-(1,1-dimethylpropyl)cyclohexyl propionate","4-(1,1-dimethylpropyl)cyclohexyl propionate",CCC(=O)OC1CCC(CC1)C(C)(C)CC,CCC(=O)OC1CCC(CC1)C(C)(C)CC,"InChI=1/C14H26O2/c1-5-13(15)16-12-9-7-11(8-10-12)14(3,4)6-2/h11-12H,5-10H2,1-4H3",C14H26O2,,,,,,GVISYVOTFWAAPI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.356,267-512-6,67874-83-3,Benzyl 2-ethylhexanoate,benzyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCc1ccccc1,CCCCC(CC)C(=O)OCc1ccccc1,"InChI=1/C15H22O2/c1-3-5-11-14(4-2)15(16)17-12-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3",C15H22O2,,,,,,FHCYNCMLCRSWSM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.360,267-516-8,67875-01-8,"4-[(2,6-dichloro-4-nitrophenyl)azo]-N,N-diethylaniline","4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N,N-diethylaniline",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC)[N+]([O-])=O,"InChI=1/C16H16Cl2N4O2/c1-3-21(4-2)12-7-5-11(6-8-12)19-20-16-14(17)9-13(22(23)24)10-15(16)18/h5-10H,3-4H2,1-2H3",C16H16Cl2N4O2,,,,,,ITPXXHNVFVJOTN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.362,267-518-9,67875-05-2,"N-[5-[bis(2-cyanoethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-[bis(2-cyanoethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC#N)CCC#N)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC#N)CCC#N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H19BrN8O6/c1-13(31)25-16-11-18(28(7-3-5-23)8-4-6-24)20(36-2)12-17(16)26-27-21-15(22)9-14(29(32)33)10-19(21)30(34)35/h9-12H,3-4,7-8H2,1-2H3,(H,25,31)",C21H19BrN8O6,,,,,,IQWWXXQLHSFCJP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.364,267-521-5,67875-07-4,Disodium 6-amino-5-[[4-[(3-chlorobenzoyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-({4-[(3-chlorobenzoyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].O=C(Nc3ccc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c(c3)S([O-])(=O)=O)c4cc(Cl)ccc4,[Na+].[Na+].O=C(Nc3ccc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c(c3)S([O-])(=O)=O)c4cc(Cl)ccc4,"InChI=1/C23H17ClN4O8S2.2Na/c24-14-3-1-2-13(8-14)23(30)26-15-5-7-18(20(10-15)38(34,35)36)27-28-22-17(25)6-4-12-9-16(37(31,32)33)11-19(29)21(12)22;;/h1-11,29H,25H2,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C23H17ClN4O8S2.2Na,,,,,,AENIJTCZYLYYCX-UHFFFAOYSA-L,,,,,,,,,,,
100.061.370,267-527-8,67875-13-2,Sodium 6-amino-5-[[4-(benzoylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-{[4-(benzoylamino)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].O=C(Nc1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O)c4ccccc4,[Na+].O=C(Nc1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O)c4ccccc4,"InChI=1/C23H18N4O5S.Na/c24-19-11-6-15-12-18(33(30,31)32)13-20(28)21(15)22(19)27-26-17-9-7-16(8-10-17)25-23(29)14-4-2-1-3-5-14;/h1-13,28H,24H2,(H,25,29)(H,30,31,32);/q;+1/p-1",C23H18N4O5S.Na,,,,,,MSBPUELGAIOXEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.038.165,241-997-4,18096-62-3,"4,4a,5,9b-tetrahydroindeno[1,2-d]-1,3-dioxin","4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine",C1OCC2Cc3ccccc3C2O1,C1OCC2Cc3ccccc3C2O1,"InChI=1/C11H12O2/c1-2-4-10-8(3-1)5-9-6-12-7-13-11(9)10/h1-4,9,11H,5-7H2",C11H12O2,,,,,,CZSXBBWOROMVEW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.167,242-000-5,18098-86-7,3-(trichlorosilyl)propyl chloroformate,3-(trichlorosilyl)propyl chlorocarbonate,ClC(=O)OCCC[Si](Cl)(Cl)Cl,ClC(=O)OCCC[Si](Cl)(Cl)Cl,"InChI=1/C4H6Cl4O2Si/c5-4(9)10-2-1-3-11(6,7)8/h1-3H2",C4H6Cl4O2Si,,,,,,FEIKZCGUXVWQTC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.169,242-002-6,18105-31-2,Bis(trimethylsilyl) adipate,bis(trimethylsilyl) adipate,C[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C,C[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C,"InChI=1/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3",C12H26O4Si2,,,,,,DVGSOFSBBKDKRU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.170,242-003-1,18106-12-2,"1,2,3,4,7,7-hexachloro-5-(diethoxymethylsilyl)bicyclo[2.2.1]hept-2-ene","diethoxy(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methylsilane",CCO[Si](C)(OCC)C1CC2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,CCO[Si](C)(OCC)C1CC2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1/C12H16Cl6O2Si/c1-4-19-21(3,20-5-2)7-6-10(15)8(13)9(14)11(7,16)12(10,17)18/h7H,4-6H2,1-3H3",C12H16Cl6O2Si,,,,,,UCTAQCLZVJVDNF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.175,242-008-9,18115-70-3,"Pentane-2,4-dione, monolithium salt",-,[Li+].CC(=O)CC(=O)C,[Li+].CC(=O)CC(=O)C,"InChI=1/C5H8O2.Li/c1-4(6)3-5(2)7;/h3H2,1-2H3;/q;+1",C5H7O2.Li,,,,,,DCAKUATUXLVJSN-UHFFFAOYSA-N,,,,,,,,,,,
100.038.177,242-011-5,18122-67-3,"p-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]benzenesulphonyl chloride","4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]benzenesulfonyl chloride",Nc1c(Oc2ccc(cc2)S(=O)(=O)Cl)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Oc2ccc(cc2)S(=O)(=O)Cl)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H12ClNO6S/c21-29(26,27)11-7-5-10(6-8-11)28-15-9-14(23)16-17(18(15)22)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2",C20H12ClNO6S,,,,,,XKXXASMSIPLSHL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.179,242-013-6,18123-20-1,Acridin-4-ol,acridin-4-ol,Oc1cccc2cc3ccccc3nc12,Oc1cccc2cc3ccccc3nc12,"InChI=1/C13H9NO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-8,15H",C13H9NO,,,,,,HOYZEVWRZVPHEL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.182,242-016-2,18127-01-0,3-(4-tert-butylphenyl)propionaldehyde,3-(4-tert-butylphenyl)propanal,CC(C)(C)c1ccc(CCC=O)cc1,CC(C)(C)c1ccc(CCC=O)cc1,"InChI=1/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3",C13H18O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12753,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.182,FZJUFJKVIYFBSY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.920,234-026-0,10496-54-5,Magnesium 4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl phosphate,"magnesium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate",[Mg+2].CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)([O-])[O-])cc4C,[Mg+2].CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)([O-])[O-])cc4C,"InChI=1/C28H31O7P.Mg/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;/h7-16,29H,1-6H3,(H2,31,32,33);/q;+2/p-2",C28H31O7P.Mg,,,,,,KECMCOBQXBUHIH-UHFFFAOYSA-L,,,,,,,,,,,
100.030.923,234-029-7,10500-08-0,1-ethylvinyl acetate,1-methylenepropyl acetate,CCC(=C)OC(=O)C,CCC(=C)OC(=O)C,"InChI=1/C6H10O2/c1-4-5(2)8-6(3)7/h2,4H2,1,3H3",C6H10O2,,,,,,BVCLXNHIJBDDTH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.934,234-041-2,10508-00-6,"3,3'-thiobis[N-dodecylpropionamide]","3,3'-sulfanediylbis(N-dodecylpropanamide)",CCCCCCCCCCCCNC(=O)CCSCCC(=O)NCCCCCCCCCCCC,CCCCCCCCCCCCNC(=O)CCSCCC(=O)NCCCCCCCCCCCC,"InChI=1/C30H60N2O2S/c1-3-5-7-9-11-13-15-17-19-21-25-31-29(33)23-27-35-28-24-30(34)32-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,33)(H,32,34)",C30H60N2O2S,,,,,,OGZYGXNNROAPTD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.939,234-047-5,10512-93-3,4-nitrophenyl N-[(benzyloxy)carbonyl]-L-valinate,4-nitrophenyl N-[(benzyloxy)carbonyl]-D-valinate,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C19H20N2O6/c1-13(2)17(20-19(23)26-12-14-6-4-3-5-7-14)18(22)27-16-10-8-15(9-11-16)21(24)25/h3-11,13,17H,12H2,1-2H3,(H,20,23)",C19H20N2O6,,,,,,GLFONBITBIYJPS-KRWDZBQOSA-N,,,,,,,,,,,
100.030.944,234-052-2,10517-50-7,2-amino-a-methylbenzyl alcohol,1-(2-aminophenyl)ethanol,CC(O)c1ccccc1N,CC(O)c1ccccc1N,"InChI=1/C8H11NO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,9H2,1H3",C8H11NO,,,,,,WBIYLDMSLIXZJK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.945,234-053-8,10519-06-9,Butyl p-tolyl ether,1-butoxy-4-methylbenzene,CCCCOc1ccc(C)cc1,CCCCOc1ccc(C)cc1,"InChI=1/C11H16O/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3",C11H16O,,,,,,AGARRLZBNOJWLG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.950,234-059-0,10519-33-2,3-decen-2-one,dec-3-en-2-one,CC(=O)C=CCCCCCC,CC(=O)C=CCCCCCC,"InChI=1/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3",C10H18O,,,,,,JRPDANVNRUIUAB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.431,266-495-2,66844-27-7,Sucrose tetrastearate,"3,4-di-O-stearoyl-beta-D-fructofuranosyl 2,3-di-O-stearoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C84H158O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-74(88)94-79-73(70-86)98-84(71-87,82(79)97-77(91)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)99-83-81(96-76(90)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80(78(92)72(69-85)93-83)95-75(89)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h72-73,78-83,85-87,92H,5-71H2,1-4H3",C84H158O15,,,,,,VOVRXBHBUVKXEL-QANBDVPUSA-N,,,,,,,,,,,
100.055.451,261-015-8,57918-22-6,"(8S-cis)-8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-a-L-arabino-hexopyranosyl]oxy]naphthacene-5,12-dione","3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-alpha-L-arabino-hexopyranoside",COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C,"InChI=1/C29H28F3NO11/c1-10-22(35)14(33-27(40)29(30,31)32)7-17(43-10)44-16-9-28(41,11(2)34)8-13-19(16)26(39)21-20(24(13)37)23(36)12-5-4-6-15(42-3)18(12)25(21)38/h4-6,10,14,16-17,22,35,37,39,41H,7-9H2,1-3H3,(H,33,40)",C29H28F3NO11,,,,,,VOASREXNXKOKBP-VMPUWYRSSA-N,,,,,,,,,,,
100.055.455,261-020-5,57934-97-1,"Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate","ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate",CCOC(=O)C1C(=CCCC1(C)C)CC,CCOC(=O)C1C(=CCCC1(C)C)CC,"InChI=1/C13H22O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h8,11H,5-7,9H2,1-4H3",C13H22O2,,,,,,CQHUPYQUERYPML-UHFFFAOYSA-N,,,,,,,,,,,
100.055.456,261-021-0,57934-98-2,"(E)-1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-2-buten-1-one","1-(2-ethyl-6,6-dimethylcyclohex-1-en-1-yl)but-2-en-1-one",CCC1=C(C(=O)\\C=C\\C)C(C)(C)CCC1,CCC1=C(C(=O)\C=C\C)C(C)(C)CCC1,"InChI=1/C14H22O/c1-5-8-12(15)13-11(6-2)9-7-10-14(13,3)4/h5,8H,6-7,9-10H2,1-4H3",C14H22O,,,,,,FKXJNDRRTCDTPL-VMPITWQZSA-N,,,,,,,,,,,
100.055.458,261-023-1,57935-00-9,"(E,Z)-1-(6-ethylidene-2,2-dimethylcyclohexyl)-2-buten-1-one","1-(6-ethylidene-2,2-dimethylcyclohexyl)but-2-en-1-one",CC1(C)CCCC(=CC)C1C(=O)C=CC,CC1(C)CCCC(=CC)C1C(=O)C=CC,"InChI=1/C14H22O/c1-5-8-12(15)13-11(6-2)9-7-10-14(13,3)4/h5-6,8,13H,7,9-10H2,1-4H3",C14H22O,,,,,,SGYVCFIGWBOWST-UHFFFAOYSA-N,,,,,,,,,,,
100.055.469,261-035-7,57946-63-1,2-bromo-4-trifluoromethylaniline,2-bromo-4-(trifluoromethyl)aniline,Nc1ccc(cc1Br)C(F)(F)F,Nc1ccc(cc1Br)C(F)(F)F,"InChI=1/C7H5BrF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2",C7H5BrF3N,,,,,,QKRJIXSZTKOFTD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.470,261-036-2,57947-82-7,"3,3'-[oxybis(2,1-ethanediyloxy)]bispropene","3,3'-[oxybis(ethane-2,1-diyloxy)]bis(prop-1-ene)",C=CCOCCOCCOCC=C,C=CCOCCOCCOCC=C,"InChI=1/C10H18O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-4H,1-2,5-10H2",C10H18O3,,,,,,XSSOJMFOKGTAFU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.473,261-039-9,57958-47-1,Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-ß-alaninate,"diethyl 3,3'-[(2-phenylethyl)imino]dipropanoate (non-preferred name)",CCOC(=O)CCN(CCC(=O)OCC)CCc1ccccc1,CCOC(=O)CCN(CCC(=O)OCC)CCc1ccccc1,"InChI=1/C18H27NO4/c1-3-22-17(20)11-14-19(15-12-18(21)23-4-2)13-10-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3",C18H27NO4,,,,,,NSGQKWOLICRDEV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.481,261-048-8,57967-72-3,"[2a,5a(R*)]-2,6,10,10-tetramethyl1-oxaspiro[4.5]decan-6-yl acetate","2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-yl acetate",CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C,CC1CCC2(O1)C(C)(C)CCCC2(C)OC(=O)C,"InChI=1/C15H26O3/c1-11-7-10-15(17-11)13(3,4)8-6-9-14(15,5)18-12(2)16/h11H,6-10H2,1-5H3",C15H26O3,,,,,,LTAWGWRPOGXHBD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.487,261-055-6,57980-10-6,"7-(dimethylamino)-4-methoxy-1-methyl-1,8-naphthyridin-2(1H)-one","7-(dimethylamino)-4-methoxy-1-methyl-1,8-naphthyridin-2(1H)-one",COC1=CC(=O)N(C)c2nc(ccc12)N(C)C,COC1=CC(=O)N(C)c2nc(ccc12)N(C)C,"InChI=1/C12H15N3O2/c1-14(2)10-6-5-8-9(17-4)7-11(16)15(3)12(8)13-10/h5-7H,1-4H3",C12H15N3O2,,,,,,AFKJTHQMVIWPPA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.488,261-056-1,57980-42-4,Isonicotinaldehyde O-methyloxime,isonicotinaldehyde O-methyloxime,CO\\N=C\\c1ccncc1,CO\N=C\c1ccncc1,"InChI=1/C7H8N2O/c1-10-9-6-7-2-4-8-5-3-7/h2-6H,1H3",C7H8N2O,,,,,,CPJAUCNNLLTZAX-RMKNXTFCSA-N,,,,,,,,,,,
100.055.489,261-057-7,57981-02-9,"O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride","1-[(aminooxy)methyl]-2,3,4,5,6-pentafluorobenzene hydrochloride",Cl.NOCc1c(F)c(F)c(F)c(F)c1F,Cl.NOCc1c(F)c(F)c(F)c(F)c1F,"InChI=1/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H",C7H4F5NO.ClH,,,,,,HVMVKNXIMUCYJA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.490,261-058-2,57981-60-9,"(Z,E)-trideca-4,7-dien-1-yl acetate","trideca-4,7-dien-1-yl acetate",CC(=O)OCCCC=CCC=CCCCCC,CC(=O)OCCCC=CCC=CCCCCC,"InChI=1/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3",C15H26O2,,,,,,LELQZCNRZHLYFG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.005,264-925-3,64501-85-5,Sodium 4-amino-m-xylene-5-sulphonate,"sodium 2-amino-3,5-dimethylbenzenesulfonate",[Na+].Cc1cc(C)c(N)c(c1)S(=O)(=O)[O-],[Na+].Cc1cc(C)c(N)c(c1)S(=O)(=O)[O-],"InChI=1/C8H11NO3S.Na/c1-5-3-6(2)8(9)7(4-5)13(10,11)12;/h3-4H,9H2,1-2H3,(H,10,11,12);/q;+1/p-1",C8H11NO3S.Na,,,,,,ZTJNNZNTRJTRMP-UHFFFAOYSA-M,,,,,,,,,,,
100.054.998,260-516-9,57018-12-9,"2,6-dibromo-4-ethylphenol","2,6-dibromo-4-ethylphenol",CCc1cc(Br)c(O)c(Br)c1,CCc1cc(Br)c(O)c(Br)c1,"InChI=1/C8H8Br2O/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4,11H,2H2,1H3",C8H8Br2O,,,,,,XSNHMPFGJLEOTP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.001,260-520-0,57020-37-8,"1-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-1-buten-2-one","1-(6,6-dimethyl-2-methylenecyclohex-3-en-1-yl)but-2-en-1-one",CC=CC(=O)C1C(=C)C=CCC1(C)C,CC=CC(=O)C1C(=C)C=CCC1(C)C,"InChI=1/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,12H,2,9H2,1,3-4H3",C13H18O,,,,,,NTFPXECSILEYKG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.002,260-521-6,57021-61-1,Isonixin,"N-(2,6-dimethylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide",Cc1cccc(C)c1NC(=O)C2=CC=CNC2=O,Cc1cccc(C)c1NC(=O)C2=CC=CNC2=O,"InChI=1/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-14(18)11-7-4-8-15-13(11)17/h3-8H,1-2H3,(H,15,17)(H,16,18)",C14H14N2O2,,,,,,WJDDCFNFNAHLAF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.011,260-531-0,57049-35-1,"4,4'-diaminotrityl alcohol",bis(4-aminophenyl)(phenyl)methanol,Nc1ccc(cc1)C(O)(c2ccccc2)c3ccc(N)cc3,Nc1ccc(cc1)C(O)(c2ccccc2)c3ccc(N)cc3,"InChI=1/C19H18N2O/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,22H,20-21H2",C19H18N2O,,,,,,RPDAPRWXVMJJSE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.015,260-535-2,57057-98-4,"Tris(2,5,8,11-tetraoxatridecyl) orthoborate","tris(3,6,9,12-tetraoxatridec-1-yl) borate",COCCOCCOCCOCCOB(OCCOCCOCCOCCOC)OCCOCCOCCOCCOC,COCCOCCOCCOCCOB(OCCOCCOCCOCCOC)OCCOCCOCCOCCOC,"InChI=1/C27H57BO15/c1-29-4-7-32-10-13-35-16-19-38-22-25-41-28(42-26-23-39-20-17-36-14-11-33-8-5-30-2)43-27-24-40-21-18-37-15-12-34-9-6-31-3/h4-27H2,1-3H3",C27H57BO15,,,,,,UIEDYIVSCRTJDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.019,260-539-4,57069-90-6,"3,7-dimethyloct-2-enal","3,7-dimethyloct-2-enal",CC(C)CCCC(C)=CC=O,CC(C)CCCC(C)=CC=O,"InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,RQRZJFGMCFXEQO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.020,260-541-5,57070-71-0,"3,4-diaminobenzophenone hydrochloride","(3,4-diaminophenyl)(phenyl)methanone hydrochloride",Cl.Nc1ccc(cc1N)C(=O)c2ccccc2,Cl.Nc1ccc(cc1N)C(=O)c2ccccc2,"InChI=1/C13H12N2O.ClH/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9;/h1-8H,14-15H2;1H",C13H12N2O.ClH,,,,,,VNCHICMXBKDTOS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.021,260-542-0,57071-02-0,"5-[(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-diethyldihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione","5-[2-(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCN1C(=S)N(CC)C(=O)C(=CC=C2N(CC)c3ccccc3N2CC)C1=O,CCN1C(=S)N(CC)C(=O)C(=CC=C2N(CC)c3ccccc3N2CC)C1=O,"InChI=1/C21H26N4O2S/c1-5-22-16-11-9-10-12-17(16)23(6-2)18(22)14-13-15-19(26)24(7-3)21(28)25(8-4)20(15)27/h9-14H,5-8H2,1-4H3",C21H26N4O2S,,,,,,ZPQXPCFUSWSISP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.024,260-545-7,57073-75-3,Butyl metaborate,butyl metaborate,CCCCOB=O,CCCCOB=O,"InChI=1/C4H9BO2/c1-2-3-4-7-5-6/h2-4H2,1H3",C4H9BO2,,,,,,IEFORYAKGBSZCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.028,260-549-9,57075-07-7,"Exo-3,3-dimethylbicyclo[2.2.1]heptane-2-carbaldehyde","3,3-dimethylbicyclo[2.2.1]heptane-2-carbaldehyde",CC1(C)C2CCC(C2)C1C=O,CC1(C)C2CCC(C2)C1C=O,"InChI=1/C10H16O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-9H,3-5H2,1-2H3",C10H16O,,,,,,VMKZLKWCFOWLCT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.029,260-550-4,57077-34-6,1-(2-hydroxy-p-tolyl)isononane-1-one oxime,1-(2-hydroxy-4-methylphenyl)-7-methyloctan-1-one oxime,CC(C)CCCCCC(=NO)c1ccc(C)cc1O,CC(C)CCCCCC(=NO)c1ccc(C)cc1O,"InChI=1/C16H25NO2/c1-12(2)7-5-4-6-8-15(17-19)14-10-9-13(3)11-16(14)18/h9-12,18-19H,4-8H2,1-3H3",C16H25NO2,,,,,,IMORQTKCNMQKRF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.032,260-554-6,57079-19-3,(Z)-N-(3-carboxy-1-oxoallyl)-DL-methionine,N-(3-carboxyacryloyl)-L-methionine,CSCC[C@H](NC(=O)\\C=C/C(=O)O)C(=O)O,CSCC[C@H](NC(=O)\C=C/C(=O)O)C(=O)O,"InChI=1/C9H13NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)",C9H13NO5S,,,,,,FJZYCKGQUGEQLO-GFNSNHMOSA-N,,,,,,,,,,,
100.038.192,242-027-2,18141-43-0,Dichlorodipropoxysilane,dichloro(dipropoxy)silane,CCCO[Si](Cl)(Cl)OCCC,CCCO[Si](Cl)(Cl)OCCC,"InChI=1/C6H14Cl2O2Si/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3",C6H14Cl2O2Si,,,,,,LQGVEVWCWJGLAL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.203,242-039-8,18156-15-5,4-(chlorodimethylsilyl)butyronitrile,4-[chloro(dimethyl)silyl]butanenitrile,C[Si](C)(Cl)CCCC#N,C[Si](C)(Cl)CCCC#N,"InChI=1/C6H12ClNSi/c1-9(2,7)6-4-3-5-8/h3-4,6H2,1-2H3",C6H12ClNSi,,,,,,GPIARXZSVWTOMD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.204,242-040-3,18156-74-6,N-(trimethylsilyl)imidazole,1-(trimethylsilyl)-1H-imidazole,C[Si](C)(C)n1ccnc1,C[Si](C)(C)n1ccnc1,"InChI=1/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3",C6H12N2Si,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7486,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.204,YKFRUJSEPGHZFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.205,242-041-9,18157-21-6,(2-chloroethyl)trimethoxysilane,(2-chloroethyl)(trimethoxy)silane,CO[Si](CCCl)(OC)OC,CO[Si](CCCl)(OC)OC,"InChI=1/C5H13ClO3Si/c1-7-10(8-2,9-3)5-4-6/h4-5H2,1-3H3",C5H13ClO3Si,,,,,,CASYTJWXPQRCFF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.372,267-529-9,67875-15-4,4-[(3-sulphophenyl)azo]naphthalene-1-diazonium chloride,4-[(3-sulfophenyl)diazenyl]naphthalene-1-diazonium chloride,[Cl-].OS(=O)(=O)c3cccc(N=Nc1ccc([N+]#N)c2ccccc12)c3,[Cl-].OS(=O)(=O)c3cccc(N=Nc1ccc([N+]#N)c2ccccc12)c3,"InChI=1/C16H10N4O3S.ClH/c17-18-15-8-9-16(14-7-2-1-6-13(14)15)20-19-11-4-3-5-12(10-11)24(21,22)23;/h1-10H;1H",C16H11N4O3S.Cl,,,,,,KZONSAAIKWTDBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.374,267-532-5,67875-17-6,"Disodium 6-[[4-[(4-ethoxyphenyl)azo]phenyl]azo]naphthalene-1,3-disulphonate","disodium 6-({4-[(4-ethoxyphenyl)diazenyl]phenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].CCOc1ccc(cc1)N=Nc4ccc(N=Nc2cc3cc(cc(c3cc2)S([O-])(=O)=O)S([O-])(=O)=O)cc4,[Na+].[Na+].CCOc1ccc(cc1)N=Nc4ccc(N=Nc2cc3cc(cc(c3cc2)S([O-])(=O)=O)S([O-])(=O)=O)cc4,"InChI=1/C24H20N4O7S2.2Na/c1-2-35-21-10-7-19(8-11-21)26-25-17-3-5-18(6-4-17)27-28-20-9-12-23-16(13-20)14-22(36(29,30)31)15-24(23)37(32,33)34;;/h3-15H,2H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C24H20N4O7S2.2Na,,,,,,AGBBNHKFMVBCJG-UHFFFAOYSA-L,,,,,,,,,,,
100.058.420,264-281-3,63512-33-4,"(Z)-octadec-9-enyl hydrogen sulphate, compound with 2-(diethylamino)ethanol (1:1)",octadec-9-en-1-yl hydrogen sulfate - 2-(diethylamino)ethanol (1:1),CCCCCCCC\\C=C/CCCCCCCCOS(=O)(=O)O.CCN(CC)CCO,CCCCCCCC\C=C/CCCCCCCCOS(=O)(=O)O.CCN(CC)CCO,"InChI=1/C18H36O4S.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-7(4-2)5-6-8/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);8H,3-6H2,1-2H3",C18H36O4S.C6H15NO,,,,,,IHDPKWOISNDGOV-KVVVOXFISA-N,,,,,,,,,,,
100.058.422,264-283-4,63512-41-4,Sodium 4-nitroresorcinolate,"disodium 4-nitrobenzene-1,3-diolate",[Na+].[Na+].[O-]c1ccc(c([O-])c1)[N+](=O)[O-],[Na+].[Na+].[O-]c1ccc(c([O-])c1)[N+](=O)[O-],"InChI=1/C6H5NO4.2Na/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3,8-9H;;/q;2*+1/p-2",C6H5NO4.xNa,,,,,,YBISFERVHNOMPT-UHFFFAOYSA-L,,,,,,,,,,,
100.058.426,264-288-1,63512-61-8,1-(3-hydroxypropyl)-2-methylquinolinium iodide,1-(3-hydroxypropyl)-2-methylquinolinium iodide,[I-].Cc1ccc2ccccc2[n+]1CCCO,[I-].Cc1ccc2ccccc2[n+]1CCCO,"InChI=1/C13H16NO.HI/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-15;/h2-3,5-8,15H,4,9-10H2,1H3;1H/q+1;/p-1",C13H16NO.I,,,,,,DJZYJYIQOORGLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.427,264-289-7,63512-62-9,S-[2-(dimethylamino)ethyl] butanethioate,S-[2-(dimethylamino)ethyl] butanethioate,CCCC(=O)SCCN(C)C,CCCC(=O)SCCN(C)C,"InChI=1/C8H17NOS/c1-4-5-8(10)11-7-6-9(2)3/h4-7H2,1-3H3",C8H17NOS,,,,,,DSJJEJHMVGHXTN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.433,264-296-5,63525-22-4,Sodium 2-methyl-4-nitrobenzenesulphonate,sodium 2-methyl-4-nitrobenzenesulfonate,[Na+].Cc1cc(ccc1S(=O)(=O)[O-])[N+](=O)[O-],[Na+].Cc1cc(ccc1S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C7H7NO5S.Na/c1-5-4-6(8(9)10)2-3-7(5)14(11,12)13;/h2-4H,1H3,(H,11,12,13);/q;+1/p-1",C7H7NO5S.Na,,,,,,CFPQAKXLVBEBCZ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.437,264-300-5,63537-14-4,Methyl 1-methyl-5-oxopyrrolidine-2-acetate,methyl (1-methyl-5-oxopyrrolidin-2-yl)acetate,COC(=O)CC1CCC(=O)N1C,COC(=O)CC1CCC(=O)N1C,"InChI=1/C8H13NO3/c1-9-6(3-4-7(9)10)5-8(11)12-2/h6H,3-5H2,1-2H3",C8H13NO3,,,,,,RAPGWBWOZSWEHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.440,264-303-1,63547-13-7,Adrafinil,2-[(diphenylmethyl)sulfinyl]-N-hydroxyacetamide,ONC(=O)CS(=O)C(c1ccccc1)c2ccccc2,ONC(=O)CS(=O)C(c1ccccc1)c2ccccc2,"InChI=1/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)",C15H15NO3S,,,,,,CGNMLOKEMNBUAI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.441,264-304-7,63549-18-8,"2,2'-quinoxaline-2,3-diylbisisothiourea dihydrochloride","quinoxaline-2,3-diyl bis(imidothiocarbamate) dihydrochloride",Cl.Cl.NC(=N)Sc1nc2ccccc2nc1SC(=N)N,Cl.Cl.NC(=N)Sc1nc2ccccc2nc1SC(=N)N,"InChI=1/C10H10N6S2.2ClH/c11-9(12)17-7-8(18-10(13)14)16-6-4-2-1-3-5(6)15-7;;/h1-4H,(H3,11,12)(H3,13,14);2*1H",C10H10N6S2.2ClH,,,,,,NRHZJRFFVZODFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.448,264-312-0,63561-42-2,"2,3,6,7,12,13,16,17-octahydro-9-(trifluoromethyl)-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium perchlorate","9-(trifluoromethyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-18-ium perchlorate",[O-]Cl(=O)(=O)=O.FC(F)(F)c1c2cc3CCCN4CCCc(c34)c2[o+]c5c6CCCN7CCCc(cc15)c67,[O-]Cl(=O)(=O)=O.FC(F)(F)c1c2cc3CCCN4CCCc(c34)c2[o+]c5c6CCCN7CCCc(cc15)c67,"InChI=1/C26H26F3N2O.ClHO4/c27-26(28,29)21-19-13-15-5-1-9-30-11-3-7-17(22(15)30)24(19)32-25-18-8-4-12-31-10-2-6-16(23(18)31)14-20(21)25;2-1(3,4)5/h13-14H,1-12H2;(H,2,3,4,5)/q+1;/p-1",C26H26F3N2O.ClO4,,,,,,HTNRBNPBWAFIKA-UHFFFAOYSA-M,,,,,,,,,,,
100.054.303,259-753-0,55682-84-3,"1-heptyl-1,2,3,4-tetrahydro-4-methylnaphthalene","1-heptyl-4-methyl-1,2,3,4-tetrahydronaphthalene",CCCCCCCC1CCC(C)c2ccccc12,CCCCCCCC1CCC(C)c2ccccc12,"InChI=1/C18H28/c1-3-4-5-6-7-10-16-14-13-15(2)17-11-8-9-12-18(16)17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3",C18H28,,,,,,SBMIKEMQTOPDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.307,259-757-2,55694-04-7,"4-chloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine","4-chloro-5-(3,4,5-trimethoxybenzyl)-1,4-dihydropyrimidin-4-amine",COc1cc(CC2=CNC=NC2(N)Cl)cc(OC)c1OC,COc1cc(CC2=CNC=NC2(N)Cl)cc(OC)c1OC,"InChI=1/C14H18ClN3O3/c1-19-11-5-9(6-12(20-2)13(11)21-3)4-10-7-17-8-18-14(10,15)16/h5-8H,4,16H2,1-3H3,(H,17,18)",C14H16ClN3O3,,,,,,KQENTMUKOJQLHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.953,234-062-7,10519-96-7,Potassium trimethylsilanolate,potassium trimethylsilanolate,[K+].C[Si](C)(C)[O-],[K+].C[Si](C)(C)[O-],"InChI=1/C3H9OSi.K/c1-5(2,3)4;/h1-3H3;/q-1;+1",C3H10OSi.K,,,,,,LBKJNHPKYFYCLL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.955,234-064-8,10521-91-2,5-phenylpentan-1-ol,5-phenylpentan-1-ol,OCCCCCc1ccccc1,OCCCCCc1ccccc1,"InChI=1/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2",C11H16O,,,,,,DPZMVZIQRMVBBW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.956,234-065-3,10521-96-7,Styryl acetate,2-phenylvinyl acetate,CC(=O)O\\C=C\\c1ccccc1,CC(=O)O\C=C\c1ccccc1,"InChI=1/C10H10O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H,1H3",C10H10O2,,,,,,FMFHUEMLVAIBFI-BQYQJAHWSA-N,,,,,,,,,,,
100.030.957,234-066-9,10522-20-0,3-methyldodecanal,3-methyldodecanal,CCCCCCCCCC(C)CC=O,CCCCCCCCCC(C)CC=O,"InChI=1/C13H26O/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h12-13H,3-11H2,1-2H3",C13H26O,,,,,,DMUYDOMEUFYLKM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.959,234-069-5,10522-32-4,"(Z)-3,7-dimethylocta-2,6-dienyl phenylacetate","3,7-dimethylocta-2,6-dien-1-yl phenylacetate",CC(=CCC\\C(=C/COC(=O)Cc1ccccc1)\\C)C,CC(=CCC\C(=C/COC(=O)Cc1ccccc1)\C)C,"InChI=1/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3",C18H24O2,,,,,,UXAIJXIHZDZMSK-VBKFSLOCSA-N,,,,,,,,,,,
100.030.960,234-070-0,10522-33-5,"(Z)-3,7-dimethylocta-2,6-dienyl valerate","3,7-dimethylocta-2,6-dien-1-yl valerate",CCCCC(=O)OC\\C=C(\\C)/CCC=C(C)C,CCCCC(=O)OC\C=C(\C)/CCC=C(C)C,"InChI=1/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3",C15H26O2,,,,,,CVSWGLSBJFKWMW-KAMYIIQDSA-N,,,,,,,,,,,
100.030.966,234-076-3,10524-82-0,2-morpholinoethyl 2-phenoxyisobutyrate hydrochloride,2-morpholin-4-ylethyl 2-methyl-2-phenoxypropanoate hydrochloride,Cl.CC(C)(Oc1ccccc1)C(=O)OCCN2CCOCC2,Cl.CC(C)(Oc1ccccc1)C(=O)OCCN2CCOCC2,"InChI=1/C16H23NO4.ClH/c1-16(2,21-14-6-4-3-5-7-14)15(18)20-13-10-17-8-11-19-12-9-17;/h3-7H,8-13H2,1-2H3;1H",C16H23NO4.ClH,,,,,,QFBWXEMAYCOFNS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.793,238-289-2,14338-82-0,Dibutyl methylenedithiodi(acetate),"dibutyl 2,2'-(methylenedisulfanediyl)diacetate",CCCCOC(=O)CSCSCC(=O)OCCCC,CCCCOC(=O)CSCSCC(=O)OCCCC,"InChI=1/C13H24O4S2/c1-3-5-7-16-12(14)9-18-11-19-10-13(15)17-8-6-4-2/h3-11H2,1-2H3",C13H24O4S2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10232,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.793,QCWRDNFBMVSDEY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.801,238-298-1,14346-19-1,"5-nitro-2,1-benzisothiazol-3-amine","5-nitro-2,1-benzisothiazol-3-amine",Nc1snc2ccc(cc12)[N+](=O)[O-],Nc1snc2ccc(cc12)[N+](=O)[O-],"InChI=1/C7H5N3O2S/c8-7-5-3-4(10(11)12)1-2-6(5)9-13-7/h1-3H,8H2",C7H5N3O2S,,,,,,SQBCSDZTDXLTLE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.805,238-302-1,14350-75-5,Sodium 1-butyl 9-(sulphonatooxy)octadecanoate,sodium 1-(8-butoxy-8-oxooctyl)decyl sulfate,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)[O-],[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)[O-],"InChI=1/C22H44O6S.Na/c1-3-5-7-8-9-11-14-17-21(28-29(24,25)26)18-15-12-10-13-16-19-22(23)27-20-6-4-2;/h21H,3-20H2,1-2H3,(H,24,25,26);/q;+1/p-1",C22H44O6S.Na,,,,,,RNLRJGXXUNHQLP-UHFFFAOYSA-M,,,,,,,,,,,
100.034.809,238-306-3,14350-97-1,"Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-4,5-dihydro-2-undecyl-1H-imidazolium hydroxide",-,[OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,[OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,"InChI=1/C20H36N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-18-21-12-13-22(18,16-19(23)24)14-15-27-17-20(25)26;;;/h2-17H2,1H3,(H-,23,24,25,26);;;1H2/q;2*+1;",C20H37N2O5.HO.2Na,,,,,,ZPRZNBBBOYYGJI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.814,238-312-6,14351-62-3,Sodium (Z)-N-methyl-N-(1-oxo-9-octadecenyl)aminoacetate,sodium [methyl(oleoyl)amino]acetate,CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O[Na],CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O[Na],"InChI=1/C21H39NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1",C21H39NO3.Na,,,,,,VLKIFCBXANYYCK-UHFFFAOYSA-M,,,,,,,,,,,
100.054.996,260-514-8,57017-95-5,Methyl 3-chloro-4-hydroxyphenylacetate,methyl (3-chloro-4-hydroxyphenyl)acetate,COC(=O)Cc1ccc(O)c(Cl)c1,COC(=O)Cc1ccc(O)c(Cl)c1,"InChI=1/C9H9ClO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3",C9H9ClO3,,,,,,ACBFEXJHCINJDS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.003,260-522-1,57022-74-9,"(2E,4E)-deca-2,4-dienyl isovalerate","deca-2,4-dien-1-yl 3-methylbutanoate",CCCCC\\C=C\\C=C\\COC(=O)CC(C)C,CCCCC\C=C\C=C\COC(=O)CC(C)C,"InChI=1/C15H26O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3",C15H26O2,,,,,,BFONWEJKMSLMCY-BNFZFUHLSA-N,,,,,,,,,,,
100.055.006,260-525-8,57030-73-6,"p-xylene, monochloro derivative","2-chloro-1,4-dimethylbenzene",Cc1ccc(C)c(Cl)c1,Cc1ccc(C)c(Cl)c1,"InChI=1/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3",C8H9Cl,,,,,,KZNRNQGTVRTDPN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.009,260-528-4,57039-61-9,N-[3-(ethylamino)-4-methoxyphenyl]acetamide,N-[3-(ethylamino)-4-methoxyphenyl]acetamide,CCNc1cc(NC(=O)C)ccc1OC,CCNc1cc(NC(=O)C)ccc1OC,"InChI=1/C11H16N2O2/c1-4-12-10-7-9(13-8(2)14)5-6-11(10)15-3/h5-7,12H,4H2,1-3H3,(H,13,14)",C11H16N2O2,,,,,,XTKBLPKQFBQFTC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.007,264-927-4,64503-08-8,"1,2,3-propanetriyl tris(bromoacetate)","propane-1,2,3-triyl tris(bromoacetate)",BrCC(=O)OCC(COC(=O)CBr)OC(=O)CBr,BrCC(=O)OCC(COC(=O)CBr)OC(=O)CBr,"InChI=1/C9H11Br3O6/c10-1-7(13)16-4-6(18-9(15)3-12)5-17-8(14)2-11/h6H,1-5H2",C9H11Br3O6,,,,,,CJUOWAWICLNGCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.008,264-929-5,64503-09-9,1-(hydroxymethyl)ethylene bis(bromoacetate),"3-hydroxypropane-1,2-diyl bis(bromoacetate)",OCC(COC(=O)CBr)OC(=O)CBr,OCC(COC(=O)CBr)OC(=O)CBr,"InChI=1/C7H10Br2O5/c8-1-6(11)13-4-5(3-10)14-7(12)2-9/h5,10H,1-4H2",C7H10Br2O5,,,,,,RVDCRYPOOIAQIL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.009,264-930-0,64503-11-3,"1,4-dibromo-2-butenyl acetate","1,4-dibromobut-2-en-1-yl acetate",CC(=O)OC(Br)C=CCBr,CC(=O)OC(Br)C=CCBr,"InChI=1/C6H8Br2O2/c1-5(9)10-6(8)3-2-4-7/h2-3,6H,4H2,1H3",C6H8Br2O2,,,,,,ZPTZOBRTOWPGCN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.015,264-936-3,64523-73-5,"2,2'-[(2-butyl-2-ethylpropane-1,3-diyl)bis(oxy)]bis[5-butyl-5-ethyl-1,3-dioxane]","5-butyl-2-[(2-{[(5-butyl-5-ethyl-1,3-dioxan-2-yl)oxy]methyl}-2-ethylhexyl)oxy]-5-ethyl-1,3-dioxane",CCCCC(CC)(COC1OCC(CC)(CCCC)CO1)COC2OCC(CC)(CCCC)CO2,CCCCC(CC)(COC1OCC(CC)(CCCC)CO1)COC2OCC(CC)(CCCC)CO2,"InChI=1/C29H56O6/c1-7-13-16-27(10-4)19-30-25(31-20-27)34-23-29(12-6,18-15-9-3)24-35-26-32-21-28(11-5,22-33-26)17-14-8-2/h25-26H,7-24H2,1-6H3",C29H56O6,,,,,,PZKZFHAAZNGAPH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.018,264-940-5,64544-71-4,"1-ethyl-1,3-diphenylurea","1-ethyl-1,3-diphenylurea",CCN(C(=O)Nc1ccccc1)c2ccccc2,CCN(C(=O)Nc1ccccc1)c2ccccc2,"InChI=1/C15H16N2O/c1-2-17(14-11-7-4-8-12-14)15(18)16-13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,16,18)",C15H16N2O,,,,,,NCPIMZDJJZLMCF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.023,264-945-2,64561-84-8,Aluminium dimagnesium heptahydroxide,aluminium dimagnesium heptahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Al+3],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Al+3],InChI=1/Al.2Mg.7H2O/h;;;7*1H2/q+3;2*+2;;;;;;;/p-7,AlH7Mg2O7,,,,,,IKFQQXJEYIOBSG-UHFFFAOYSA-G,,,,,,,,,,,
100.059.027,264-949-4,64589-75-9,5-[[[(methylamino)carbonyl]oxy]methyl]-3-[3-(trifluoromethyl)phenyl]oxazolidin-2-one,"{2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl}methyl methylcarbamate",CNC(=O)OCC1CN(C(=O)O1)c2cccc(c2)C(F)(F)F,CNC(=O)OCC1CN(C(=O)O1)c2cccc(c2)C(F)(F)F,"InChI=1/C13H13F3N2O4/c1-17-11(19)21-7-10-6-18(12(20)22-10)9-4-2-3-8(5-9)13(14,15)16/h2-5,10H,6-7H2,1H3,(H,17,19)",C13H13F3N2O4,,,,,,FLAVTWMQYKSKOG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.029,264-952-0,64601-04-3,"Phenol, compound with 2-aminoethanol (1:1)",2-aminoethanol - phenol (1:1),NCCO.Oc1ccccc1,NCCO.Oc1ccccc1,"InChI=1/C6H6O.C2H7NO/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5,7H;4H,1-3H2",C6H6O.C2H7NO,,,,,,MMRQWPPZGQHNOV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.061,267-187-0,67801-67-6,"2,2-dimethyl-1,3-propanediyl bis(2-hexyldecanoate)","2,2-dimethylpropane-1,3-diyl bis(2-hexyldecanoate)",CCCCCCCCC(CCCCCC)C(=O)OCC(C)(C)COC(=O)C(CCCCCC)CCCCCCCC,CCCCCCCCC(CCCCCC)C(=O)OCC(C)(C)COC(=O)C(CCCCCC)CCCCCCCC,"InChI=1/C37H72O4/c1-7-11-15-19-21-25-29-33(27-23-17-13-9-3)35(38)40-31-37(5,6)32-41-36(39)34(28-24-18-14-10-4)30-26-22-20-16-12-8-2/h33-34H,7-32H2,1-6H3",C37H72O4,,,,,,GZDPBJOBIHEIJR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.065,267-191-2,67806-10-4,N-[3-(dimethylamino)propyl]myristamide N-oxide,"N,N-dimethyl-3-[oxido(tetradecanoyl)amino]propan-1-amine",CCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C,CCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C,"InChI=1/C19H40N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21(23)18-15-17-20(2)3/h21H,4-18H2,1-3H3",C19H40N2O2,,,,,,GIGGMKJZLQSCHH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.067,267-193-3,67812-17-3,Methyl 3-(trimethoxysilyl)propyl methylphosphonate,methyl 3-(trimethoxysilyl)propyl methylphosphonate,CO[Si](CCCOP(=O)(C)OC)(OC)OC,CO[Si](CCCOP(=O)(C)OC)(OC)OC,"InChI=1/C8H21O6PSi/c1-10-15(5,9)14-7-6-8-16(11-2,12-3)13-4/h6-8H2,1-5H3",C8H21O6PSi,,,,,,LUVQNLSOWISBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.072,267-199-6,67815-88-7,Disodium 4-[1-methyl-2-[(1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-[1-methyl-2-(oleoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OC(C)CNC(=O)CCCCCCCC=CCCCCCCCC)C(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OC(C)CNC(=O)CCCCCCCC=CCCCCCCCC)C(=O)[O-],"InChI=1/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-24(28)19-22(25(29)30)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,29,30)(H,31,32,33);;/q;2*+1/p-2",C25H45NO8S.2Na,,,,,,XMZNGOXSJASRSI-UHFFFAOYSA-L,,,,,,,,,,,
100.061.074,267-202-0,67815-90-1,"Sodium 1-[[[1-oxo-10-(sulphonatooxy)octadecyl]oxy]methyl]-1,2-ethanediyl dioleate","sodium 10-[2,3-bis(oleoyloxy)propoxy]-1-octyl-10-oxodecyl sulfate",[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCC\\C=C/CCCCCCCC,[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C57H106O10S.Na/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-38-43-48-55(58)64-51-54(66-57(60)50-45-40-33-31-29-27-25-23-21-19-17-14-11-8-5-2)52-65-56(59)49-44-39-35-34-37-42-47-53(67-68(61,62)63)46-41-36-15-12-9-6-3;/h22-25,53-54H,4-21,26-52H2,1-3H3,(H,61,62,63);/q;+1/p-1",C57H106O10S.Na,,,,,,RLFOMVDUCWAVPY-PBAYCENZSA-M,,,,,,,,,,,
100.038.206,242-042-4,18162-48-6,tert-butylchlorodimethylsilane,tert-butyl(chloro)dimethylsilane,CC(C)(C)[Si](C)(C)Cl,CC(C)(C)[Si](C)(C)Cl,"InChI=1/C6H15ClSi/c1-6(2,3)8(4,5)7/h1-5H3",C6H15ClSi,,,,,,BCNZYOJHNLTNEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.207,242-044-5,18162-84-0,Chlorodimethyloctylsilane,chloro(dimethyl)octylsilane,CCCCCCCC[Si](C)(C)Cl,CCCCCCCC[Si](C)(C)Cl,"InChI=1/C10H23ClSi/c1-4-5-6-7-8-9-10-12(2,3)11/h4-10H2,1-3H3",C10H23ClSi,,,,,,DBKNGKYVNBJWHL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.209,242-046-6,18164-94-8,1-allyl-3-sulphonatopyridinium,1-allylpyridinium-3-sulfonate,[O-]S(=O)(=O)c1ccc[n+](CC=C)c1,[O-]S(=O)(=O)c1ccc[n+](CC=C)c1,"InChI=1/C8H9NO3S/c1-2-5-9-6-3-4-8(7-9)13(10,11)12/h2-4,6-7H,1,5H2",C8H9NO3S,,,,,,JEMHLKILWWGOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.216,242-053-4,18169-57-8,Trichloroisobutylsilane,trichloro(isobutyl)silane,CC(C)C[Si](Cl)(Cl)Cl,CC(C)C[Si](Cl)(Cl)Cl,"InChI=1/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3",C4H9Cl3Si,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10857,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.216,GBXOGFTVYQSOID-UHFFFAOYSA-N,,,,,,,,,,,
100.038.220,242-058-1,18171-59-0,Chloro(dichloromethyl)dimethylsilane,chloro(dichloromethyl)dimethylsilane,C[Si](C)(Cl)C(Cl)Cl,C[Si](C)(Cl)C(Cl)Cl,"InChI=1/C3H7Cl3Si/c1-7(2,6)3(4)5/h3H,1-2H3",C3H7Cl3Si,,,,,,OICVMMJHLFRGHF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.223,242-061-8,18173-74-5,(2-methoxyethoxy)trimethylsilane,(2-methoxyethoxy)(trimethyl)silane,COCCO[Si](C)(C)C,COCCO[Si](C)(C)C,"InChI=1/C6H16O2Si/c1-7-5-6-8-9(2,3)4/h5-6H2,1-4H3",C6H16O2Si,,,,,,HRDKXAGASFLTCG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.225,242-063-9,18175-44-5,Potassium (Z)-hexadec-9-enoate,potassium hexadec-9-enoate,[K+].CCCCCC\\C=C/CCCCCCCC(=O)[O-],[K+].CCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/C16H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);/q;+1/p-1",C16H30O2.K,,,,,,MHUCSRUPTZFQQD-CFYXSCKTSA-M,,,,,,,,,,,
100.038.228,242-067-0,18178-47-7,"2-[6-(2,2-dicyanovinyl)-1,2,3,4-tetrahydro-2,2,4,7-tetramethylquinolin-1-yl]ethyl carbanilate","2-[6-(2,2-dicyanovinyl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl phenylcarbamate",CC1CC(C)(C)N(CCOC(=O)Nc2ccccc2)c3cc(C)c(C=C(C#N)C#N)cc13,CC1CC(C)(C)N(CCOC(=O)Nc2ccccc2)c3cc(C)c(C=C(C#N)C#N)cc13,"InChI=1/C26H28N4O2/c1-18-12-24-23(14-21(18)13-20(16-27)17-28)19(2)15-26(3,4)30(24)10-11-32-25(31)29-22-8-6-5-7-9-22/h5-9,12-14,19H,10-11,15H2,1-4H3,(H,29,31)",C26H28N4O2,,,,,,MBGQLEMLPRDFQM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.979,234-091-5,10528-67-3,a-methylcyclohexanepropanol,4-cyclohexylbutan-2-ol,CC(O)CCC1CCCCC1,CC(O)CCC1CCCCC1,"InChI=1/C10H20O/c1-9(11)7-8-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3",C10H20O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18777,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.979,ZBLQQRZVKHLRBF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.985,234-097-8,10534-13-1,"Cyclohexane-1,4-dicarbonitrile","cyclohexane-1,4-dicarbonitrile",N#CC1CCC(CC1)C#N,N#CC1CCC(CC1)C#N,"InChI=1/C8H10N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-4H2",C8H10N2,,,,,,MGWYSXZGBRHJNE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.993,234-106-5,10535-50-9,"2-methyl-2-[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate",2-methyl-3-(nonanoyloxy)-2-[(nonanoyloxy)methyl]propyl nonanoate (non-preferred name),CCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,CCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,"InChI=1/C32H60O6/c1-5-8-11-14-17-20-23-29(33)36-26-32(4,27-37-30(34)24-21-18-15-12-9-6-2)28-38-31(35)25-22-19-16-13-10-7-3/h5-28H2,1-4H3",C32H60O6,,,,,,JMYBRXSQFQZFFB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.996,234-109-1,10537-41-4,4-hydroxy-5-isopropyl-3-methylbenzaldehyde,4-hydroxy-3-isopropyl-5-methylbenzaldehyde,CC(C)c1cc(C=O)cc(C)c1O,CC(C)c1cc(C=O)cc(C)c1O,"InChI=1/C11H14O2/c1-7(2)10-5-9(6-12)4-8(3)11(10)13/h4-7,13H,1-3H3",C11H14O2,,,,,,MZGYHGQVVFEMIG-UHFFFAOYSA-N,,,,,,,,,,,
100.031.128,234-254-0,11023-71-5,"(S)-2,3-dihydro-5,7-dihydroxy-6-methyl-2-phenyl-4-benzopyrone","5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one",Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3,Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3,"InChI=1/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3",C16H14O4,,,,,,INBPQAJYHSJVRY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.838,238-338-8,14366-73-5,1-chloro-4-[(2-chloroethyl)thio]benzene,1-chloro-4-[(2-chloroethyl)sulfanyl]benzene,ClCCSc1ccc(Cl)cc1,ClCCSc1ccc(Cl)cc1,"InChI=1/C8H8Cl2S/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2",C8H8Cl2S,,,,,,PVPKFKCDIRXVLO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.844,238-345-6,14373-91-2,Didysprosium trisulphate,didysprosium trisulphate,[Dy+3].[Dy+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Dy+3].[Dy+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Dy.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Dy.3/2H2O4S,,,,,,FLWXWKDFOLALOB-UHFFFAOYSA-H,,,,,,,,,,,
100.034.845,238-346-1,14374-45-9,1-heptynylbenzene,hept-1-yn-1-ylbenzene,CCCCCC#Cc1ccccc1,CCCCCC#Cc1ccccc1,"InChI=1/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5H2,1H3",C13H16,,,,,,MDKGOJZZRHBMQU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.320,259-771-9,55708-65-1,2-benzyloxy-5-vinylanisole,1-(benzyloxy)-2-methoxy-4-vinylbenzene,COc1cc(C=C)ccc1OCc2ccccc2,COc1cc(C=C)ccc1OCc2ccccc2,"InChI=1/C16H16O2/c1-3-13-9-10-15(16(11-13)17-2)18-12-14-7-5-4-6-8-14/h3-11H,1,12H2,2H3",C16H16O2,,,,,,DPAUCHAAEWIRKG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.321,259-772-4,55708-87-7,2-[1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethoxy]ethanol,2-[1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethoxy]ethanol,CC1=CCC(CC1)C(C)(C)OCCO,CC1=CCC(CC1)C(C)(C)OCCO,"InChI=1/C12H22O2/c1-10-4-6-11(7-5-10)12(2,3)14-9-8-13/h4,11,13H,5-9H2,1-3H3",C12H22O2,,,,,,QKELXXNYILOTAV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.325,259-777-1,55722-59-3,"3,7-dimethyl-3,6-octadienal","3,7-dimethylocta-3,6-dienal",C\\C(C)=C\\CC=C(C)CC=O,C\C(C)=C\CC=C(C)CC=O,"InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3",C10H16O,,,,,,OJLMARCQPSGYNE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.328,259-780-8,55730-88-6,"5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one","5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one",CC(=O)C=CCC1C\\C=C(\\C)C1(C)C,CC(=O)C=CCC1C\C=C(\C)C1(C)C,"InChI=1/C13H20O/c1-10-8-9-12(13(10,3)4)7-5-6-11(2)14/h5-6,8,12H,7,9H2,1-4H3",C13H20O,,,,,,NRVFUNVHEXIEHU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.335,259-788-1,55745-70-5,"2,3-dihydrobenzofuran-5-carboxaldehyde","2,3-dihydro-1-benzofuran-5-carbaldehyde",O=Cc1ccc2OCCc2c1,O=Cc1ccc2OCCc2c1,"InChI=1/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2",C9H8O2,,,,,,WEBVDBDZSOJGPB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.262,252-004-9,34415-65-1,"Sulphuric acid, chromium sodium salt",-,[Na+].[Cr+2].[O-]S(=O)(=O)[O-],[Na+].[Cr+2].[O-]S(=O)(=O)[O-],"InChI=1/Cr.Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q+2;+1;/p-2",Cr.xH2O4S.xNa,,,,,,MZFVGORCXGRDCD-UHFFFAOYSA-L,,,,,,,,,,,
100.047.265,252-008-0,34421-11-9,"2,5-dihydroxy-5-methyl-3-piperidinocyclopent-2-en-1-one","2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one",CC1(O)CC(=C(O)C1=O)N2CCCCC2,CC1(O)CC(=C(O)C1=O)N2CCCCC2,"InChI=1/C11H17NO3/c1-11(15)7-8(9(13)10(11)14)12-5-3-2-4-6-12/h13,15H,2-7H2,1H3",C11H17NO3,,,,,,HICPSQHUQBAFIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.266,252-009-6,34421-99-3,"1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine","1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine",C1Cc2cc3CCCc3nc2C1,C1Cc2cc3CCCc3nc2C1,"InChI=1/C11H13N/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h7H,1-6H2",C11H13N,,,,,,WFEKFUDZCWEZQO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.276,252-020-6,34432-91-2,"2-(3-hydroxy-2-quinolyl)-5-phenyl-1H-indene-1,3(2H)-dione","2-(3-hydroxyquinolin-2-yl)-5-phenyl-1H-indene-1,3(2H)-dione",Oc1cc2ccccc2nc1C3C(=O)c4ccc(cc4C3=O)c5ccccc5,Oc1cc2ccccc2nc1C3C(=O)c4ccc(cc4C3=O)c5ccccc5,"InChI=1/C24H15NO3/c26-20-13-16-8-4-5-9-19(16)25-22(20)21-23(27)17-11-10-15(12-18(17)24(21)28)14-6-2-1-3-7-14/h1-13,21,26H",C24H15NO3,,,,,,SEMBXXDVPHSLRG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.277,252-021-1,34432-92-3,N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]-4-(phenylazo)aniline,N-ethyl-N-[2-(1-isobutoxyethoxy)ethyl]-4-(phenyldiazenyl)aniline,CC(C)COC(C)OCCN(CC)c2ccc(N=Nc1ccccc1)cc2,CC(C)COC(C)OCCN(CC)c2ccc(N=Nc1ccccc1)cc2,"InChI=1/C22H31N3O2/c1-5-25(15-16-26-19(4)27-17-18(2)3)22-13-11-21(12-14-22)24-23-20-9-7-6-8-10-20/h6-14,18-19H,5,15-17H2,1-4H3",C22H31N3O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5682,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.277,BATVZJPOLFSGTD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.278,252-022-7,34433-15-3,"10-[2-(dimethylamino)propyl]-10H-pyrido[3,2-b][1,4]benzothiazine hydrochloride","N,N-dimethyl-1-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-2-amine hydrochloride",Cl.CC(CN1c2ccccc2Sc3cccnc13)N(C)C,Cl.CC(CN1c2ccccc2Sc3cccnc13)N(C)C,"InChI=1/C16H19N3S.ClH/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19;/h4-10,12H,11H2,1-3H3;1H",C16H19N3S.xClH,,,,,,RQHCFTORMXCNGP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.282,252-026-9,34443-04-4,N-(4-hydroxyphenyl)acrylamide,N-(4-hydroxyphenyl)acrylamide,Oc1ccc(NC(=O)C=C)cc1,Oc1ccc(NC(=O)C=C)cc1,"InChI=1/C9H9NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h2-6,11H,1H2,(H,10,12)",C9H9NO2,,,,,,POVITWJTUUJBNK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.303,252-049-4,34462-96-9,5-chloro-7-bromo-8-quinolyl vinyl carbonate,7-bromo-5-chloroquinolin-8-yl vinyl carbonate,Clc1cc(Br)c(OC(=O)OC=C)c2ncccc12,Clc1cc(Br)c(OC(=O)OC=C)c2ncccc12,"InChI=1/C12H7BrClNO3/c1-2-17-12(16)18-11-8(13)6-9(14)7-4-3-5-15-10(7)11/h2-6H,1H2",C12H7BrClNO2,,,,,,RERYTHYVXRLZME-UHFFFAOYSA-N,,,,,,,,,,,
100.056.518,262-189-8,60336-83-6,"Acetonitrile, compound with 1,4,7,10,13,16-hexaoxacyclooctadecane (1:1)","acetonitrile - 1,4,7,10,13,16-hexaoxacyclooctadecane (1:1)",CC#N.C1COCCOCCOCCOCCOCCO1,CC#N.C1COCCOCCOCCOCCOCCO1,InChI=1/C12H24O6.C2H3N/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-2-3/h1-12H2;1H3,C12H24O6.C2H3N,,,,,,NDINSWFIKBMLNU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.523,262-195-0,60352-98-9,"[3-[[4-[(2,4-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]propyl]trimethylammonium methyl sulphate","3-({4-[(2,4-dimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-N,N,N-trimethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)c(C)c1,COS(=O)(=O)[O-].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)c(C)c1,"InChI=1/C28H31N3O2.CH4O4S/c1-18-11-12-22(19(2)17-18)30-24-14-13-23(29-15-8-16-31(3,4)5)25-26(24)28(33)21-10-7-6-9-20(21)27(25)32;1-5-6(2,3)4/h6-7,9-14,17H,8,15-16H2,1-5H3,(H-,29,30,32,33);1H3,(H,2,3,4)",C28H32N3O2.CH3O4S,,,,,,UXCYGNZBYVCSMV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.012,260-532-6,57052-04-7,"6-tert-butyl-4-isobutylidenamino-3-methylthio-1,2,4-triazin-5-one","6-tert-butyl-4-[(2-methylpropylidene)amino]-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one",CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C,CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C,"InChI=1/C12H20N4OS/c1-8(2)7-13-16-10(17)9(12(3,4)5)14-15-11(16)18-6/h7-8H,1-6H3",C12H20N4OS,,,,,,MZTLOILRKLUURT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.013,260-533-1,57054-96-3,4-(benzylamino)butyric acid hydrochloride,4-(benzylamino)butanoic acid hydrochloride,Cl.OC(=O)CCCNCc1ccccc1,Cl.OC(=O)CCCNCc1ccccc1,"InChI=1/C11H15NO2.ClH/c13-11(14)7-4-8-12-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,7-9H2,(H,13,14);1H",C11H15NO2.ClH,,,,,,BDZYWVNAYHSTKE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.014,260-534-7,57057-50-8,"2-ethylhexyl 12-ethyl-5,5-dimethyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate","2-ethylhexyl 12-ethyl-5,5-dimethyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecan-1-oate",CCCCC(CC)COC(=O)CCS[Sn](C)(C)SCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCS[Sn](C)(C)SCCC(=O)OCC(CC)CCCC,"InChI=1/2C11H22O2S.2CH3.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;;;/h2*10,14H,3-9H2,1-2H3;2*1H3;/q;;;;+2/p-2/rC24H48O4S2Sn/c1-7-11-13-21(9-3)19-27-23(25)15-17-29-31(5,6)30-18-16-24(26)28-20-22(10-4)14-12-8-2/h21-22H,7-20H2,1-6H3",C24H48O4S2Sn,,,,,,OSJAAYAWZBUHDN-UHFFFAOYSA-L,,,,,,,,,,,
100.055.017,260-537-3,57069-48-4,3-[tris(2-methoxyethoxy)silyl]propyl methacrylate,3-[tris(2-methoxyethoxy)silyl]propyl methacrylate,COCCO[Si](CCCOC(=O)C(=C)C)(OCCOC)OCCOC,COCCO[Si](CCCOC(=O)C(=C)C)(OCCOC)OCCOC,"InChI=1/C16H32O8Si/c1-15(2)16(17)21-7-6-14-25(22-11-8-18-3,23-12-9-19-4)24-13-10-20-5/h1,6-14H2,2-5H3",C16H32O8Si,,,,,,DMZPTAFGSRVFIA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.023,260-544-1,57073-55-9,"3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole monomaleate","1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol but-2-enedioate (salt)",CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2.OC(=O)\\C=C/C(=O)O,CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2.OC(=O)\C=C/C(=O)O,"InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C13H24N4O3S.C4H4O4,,,,,,WLRMANUAADYWEA-BTJKTKAUSA-N,,,,,,,,,,,
100.055.026,260-547-8,57074-35-8,S-[1-methyl-1-(4-methyl-2-oxo-3-cyclohexen-1-yl)ethyl] ethanethioate,S-[1-methyl-1-(4-methyl-2-oxocyclohex-3-en-1-yl)ethyl] ethanethioate,CC(=O)SC(C)(C)C1CCC(=CC1=O)C,CC(=O)SC(C)(C)C1CCC(=CC1=O)C,"InChI=1/C12H18O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h7,10H,5-6H2,1-4H3",C12H18O2S,,,,,,PMKLUARZKYGSOG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.033,260-555-1,57082-24-3,"[1R-(1a,2a,5ß,8ß)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate","4,4,8-trimethyltricyclo[6.3.1.0~2,5~]dodec-1-yl acetate",CC(=O)OC12CCCC(C)(CCC3C1CC3(C)C)C2,CC(=O)OC12CCCC(C)(CCC3C1CC3(C)C)C2,"InChI=1/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3",C17H28O2,,,,,,SJDDHMSVZMBJPH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.187,242-022-5,18136-00-0,"4,4'-trimethylenedi(piperidine-1-propiononitrile)","3,3'-(propane-1,3-diyldipiperidine-4,1-diyl)dipropanenitrile",N#CCCN1CCC(CCCC2CCN(CCC#N)CC2)CC1,N#CCCN1CCC(CCCC2CCN(CCC#N)CC2)CC1,"InChI=1/C19H32N4/c20-10-2-12-22-14-6-18(7-15-22)4-1-5-19-8-16-23(17-9-19)13-3-11-21/h18-19H,1-9,12-17H2",C19H32N4,,,,,,CUFGCSGPBRYOBH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.188,242-023-0,18138-03-9,Propylpyrazine,2-propylpyrazine,CCCc1cnccn1,CCCc1cnccn1,"InChI=1/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3",C7H10N2,,,,,,DJLLTFRHLPVCEL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.194,242-029-3,18145-38-5,Tetra[2H3]methylsilane,tetramethylsilane,C[Si](C)(C)C,C[Si](C)(C)C,"InChI=1/C4H12Si/c1-5(2,3)4/h1-4H3",C4D12Si,,,,,,CZDYPVPMEAXLPK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.196,242-031-4,18146-00-4,Allyloxytrimethylsilane,(allyloxy)(trimethyl)silane,C[Si](C)(C)OCC=C,C[Si](C)(C)OCC=C,"InChI=1/C6H14OSi/c1-5-6-7-8(2,3)4/h5H,1,6H2,2-4H3",C6H14OSi,,,,,,MNMVKGDEKPPREK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.197,242-033-5,18147-17-6,Bis(2-chloroethoxy)methylsilane,[bis(2-chloroethoxy)methyl]silane,[SiH3]C(OCCCl)OCCCl,[SiH3]C(OCCCl)OCCCl,"InChI=1/C5H12Cl2O2Si/c6-1-3-8-5(10)9-4-2-7/h5H,1-4H2,10H3",C5H12Cl2O2Si,,,,,,RIMCSGBVDPVCPD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.199,242-035-6,18147-23-4,Butyldichloromethylsilane,"(1,1-dichloropentyl)silane",CCCCC([SiH3])(Cl)Cl,CCCCC([SiH3])(Cl)Cl,"InChI=1/C5H12Cl2Si/c1-2-3-4-5(6,7)8/h2-4H2,1,8H3",C5H12Cl2Si,,,,,,ZDDKGCZQFWMXSR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.202,242-038-2,18152-73-3,Dihydro-4-iodo-5-methylfuran-2(3H)-one,4-iodo-5-methyldihydrofuran-2(3H)-one,CC1OC(=O)CC1I,CC1OC(=O)CC1I,"InChI=1/C5H7IO2/c1-3-4(6)2-5(7)8-3/h3-4H,2H2,1H3",C5H7IO2,,,,,,FTDKROIGAJDVCT-UHFFFAOYSA-N,,,,,,,,,,,
100.038.208,242-045-0,18163-34-3,Methyl 3-(dichloromethylsilyl)propionate,methyl 3-[(dichloromethyl)silyl]propanoate,COC(=O)CC[SiH2]C(Cl)Cl,COC(=O)CC[SiH2]C(Cl)Cl,"InChI=1/C5H10Cl2O2Si/c1-9-4(8)2-3-10-5(6)7/h5H,2-3,10H2,1H3",C5H10Cl2O2Si,,,,,,IJTLOAPSIGWFLR-UHFFFAOYSA-N,,,,,,,,,,,
100.038.212,242-049-2,18166-02-4,1-(trimethylsilyl)methylamine,1-(trimethylsilyl)methanamine,C[Si](C)(C)CN,C[Si](C)(C)CN,"InChI=1/C4H13NSi/c1-6(2,3)4-5/h4-5H2,1-3H3",C4H13NSi,,,,,,YVWPNDBYAAEZBF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.075,267-203-6,67815-94-5,"Ethyl dihydrogen phosphate, compound with 2-(2-octadecylimidazolidin-1-yl)ethyl carbamate (1:1)",2-(2-octadecylimidazolidin-1-yl)ethyl carbamate - ethyl dihydrogen phosphate (1:1),OP(=O)(O)OCC.NC(=O)OCCN1CCNC1CCCCCCCCCCCCCCCCCC,OP(=O)(O)OCC.NC(=O)OCCN1CCNC1CCCCCCCCCCCCCCCCCC,"InChI=1/C24H49N3O2.C2H7O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-19-20-27(23)21-22-29-24(25)28;1-2-6-7(3,4)5/h23,26H,2-22H2,1H3,(H2,25,28);2H2,1H3,(H2,3,4,5)",C24H49N3O2.C2H7O4P,,,,,,PBXWXOWOCSVRQD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.080,267-208-3,67816-06-2,Indium 2-ethylhexanoate,indium tris(2-ethylhexanoate),[In+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[In+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.In/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3In,,,,,,ARHIRDSNQLUBHR-UHFFFAOYSA-K,,,,,,,,,,,
100.061.083,267-212-5,67816-09-5,Lanthanum tris(2-ethylhexanoate),lanthanum tris(2-ethylhexanoate),[La+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[La+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.La/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3La,,,,,,PPNFILUQDVDXDA-UHFFFAOYSA-K,,,,,,,,,,,
100.061.091,267-220-9,67827-57-0,"N-(3,5-dihydroxyphenyl)benzamide","N-(3,5-dihydroxyphenyl)benzamide",Oc1cc(O)cc(NC(=O)c2ccccc2)c1,Oc1cc(O)cc(NC(=O)c2ccccc2)c1,"InChI=1/C13H11NO3/c15-11-6-10(7-12(16)8-11)14-13(17)9-4-2-1-3-5-9/h1-8,15-16H,(H,14,17)",C13H11NO3,,,,,,DKYHVEQQTGMTQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.095,267-225-6,67827-61-6,"Sodium 1-amino-4-[[3,5-bis[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({3,5-bis[(benzoylamino)methyl]-2,4,6-trimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1c(CNC(=O)c2ccccc2)c(C)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c(C)c1CNC(=O)c6ccccc6,[Na+].Cc1c(CNC(=O)c2ccccc2)c(C)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c(C)c1CNC(=O)c6ccccc6,"InChI=1/C39H34N4O7S.Na/c1-21-28(19-41-38(46)24-12-6-4-7-13-24)22(2)35(23(3)29(21)20-42-39(47)25-14-8-5-9-15-25)43-30-18-31(51(48,49)50)34(40)33-32(30)36(44)26-16-10-11-17-27(26)37(33)45;/h4-18,43H,19-20,40H2,1-3H3,(H,41,46)(H,42,47)(H,48,49,50);/q;+1/p-1",C39H34N4O7S.Na,,,,,,QCTYVVWNINGBCP-UHFFFAOYSA-M,,,,,,,,,,,
100.061.098,267-228-2,67827-64-9,"Disodium 5-[[5-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate","disodium 4-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate",[Na+].[Na+].O=C3C(/CS([O-])(=O)=O)=C(/C)\\C(\\N=Nc2cc(Nc1nc(Cl)nc(OC(C)C)n1)ccc2S([O-])(=O)=O)=C(\\O)N3CC,[Na+].[Na+].O=C3C(/CS([O-])(=O)=O)=C(/C)\C(\N=Nc2cc(Nc1nc(Cl)nc(OC(C)C)n1)ccc2S([O-])(=O)=O)=C(\O)N3CC,"InChI=1/C21H24ClN7O9S2.2Na/c1-5-29-17(30)13(9-39(32,33)34)11(4)16(18(29)31)28-27-14-8-12(6-7-15(14)40(35,36)37)23-20-24-19(22)25-21(26-20)38-10(2)3;;/h6-8,10,31H,5,9H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,23,24,25,26);;/q;2*+1/p-2",C21H24ClN7O9S2.2Na,,,,,,CQAKGLGNTVIXJZ-UHFFFAOYSA-L,,,,,,,,,,,
100.060.432,266-496-8,66844-30-2,Sucrose heptalaurate,"1,3,4,6-tetra-O-dodecanoyl-beta-D-fructofuranosyl 2,3,4-tri-O-dodecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,"InChI=1/C96H176O18/c1-8-15-22-29-36-43-50-57-64-71-83(98)105-79-82-91(109-86(101)74-67-60-53-46-39-32-25-18-11-4)94(112-89(104)77-70-63-56-49-42-35-28-21-14-7)96(113-82,80-106-84(99)72-65-58-51-44-37-30-23-16-9-2)114-95-93(111-88(103)76-69-62-55-48-41-34-27-20-13-6)92(110-87(102)75-68-61-54-47-40-33-26-19-12-5)90(81(78-97)107-95)108-85(100)73-66-59-52-45-38-31-24-17-10-3/h81-82,90-95,97H,8-80H2,1-7H3",C96H176O18,,,,,,UFCDEEBENIGJJD-ZYIKOXFUSA-N,,,,,,,,,,,
100.060.455,266-521-2,66931-81-5,3-[[4-[(2-propynyloxy)methoxy]but-2-ynyl]oxy]propiononitrile,3-({4-[(prop-2-yn-1-yloxy)methoxy]but-2-yn-1-yl}oxy)propanenitrile,C#CCOCOCC#CCOCCC#N,C#CCOCOCC#CCOCCC#N,"InChI=1/C11H13NO3/c1-2-7-14-11-15-9-4-3-8-13-10-5-6-12/h1H,5,7-11H2",C11H13NO3,,,,,,OXPGMUSXXXNAOY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.467,266-534-3,66988-93-0,(difluoromethoxy)benzaldehyde,2-(difluoromethoxy)benzaldehyde,FC(F)Oc1ccccc1C=O,FC(F)Oc1ccccc1C=O,"InChI=1/C8H6F2O2/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-5,8H",C8H6F2O2,,,,,,QPBNHDFPMRENBC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.469,266-536-4,66999-80-2,N-[3-(diethylamino)propyl]benzamide,N-[3-(diethylamino)propyl]benzamide,CCN(CC)CCCNC(=O)c1ccccc1,CCN(CC)CCCNC(=O)c1ccccc1,"InChI=1/C14H22N2O/c1-3-16(4-2)12-8-11-15-14(17)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,15,17)",C14H22N2O,,,,,,QSDABNKMCBDWQI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.471,266-539-0,67006-99-9,[(4-cyclohexylphenoxy)methyl]oxirane,2-[(4-cyclohexylphenoxy)methyl]oxirane,C(Oc1ccc(cc1)C2CCCCC2)C3CO3,C(Oc1ccc(cc1)C2CCCCC2)C3CO3,"InChI=1/C15H20O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h6-9,12,15H,1-5,10-11H2",C15H20O2,,,,,,PWOUMDUXOSIEIV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.847,238-348-2,14376-16-0,Sulfaloxic acid,2-[(4-{[(hydroxymethyl)carbamoyl]sulfamoyl}phenyl)carbamoyl]benzoic acid,OCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,OCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,"InChI=1/C16H15N3O7S/c20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23/h1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24)",C16H15N3O7S,,,,,,UPCBSVILVWKHIG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.850,238-351-9,14377-68-5,1-phenylcyclobutanecarbonitrile,1-phenylcyclobutanecarbonitrile,N#CC1(CCC1)c2ccccc2,N#CC1(CCC1)c2ccccc2,"InChI=1/C11H11N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2",C11H11N,,,,,,DHIDUDPFTZJPCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.853,238-355-0,14381-42-1,Indan-1-carboxylic acid,indane-1-carboxylic acid,OC(=O)C1CCc2ccccc12,OC(=O)C1CCc2ccccc12,"InChI=1/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,11,12)",C10H10O2,,,,,,JBQMFBWTKWOSQX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.857,238-359-2,14387-99-6,"Ethyl 2,3-dimethyl-3-butenoate","ethyl 2,3-dimethylbut-3-enoate",CCOC(=O)C(C)C(=C)C,CCOC(=O)C(C)C(=C)C,"InChI=1/C8H14O2/c1-5-10-8(9)7(4)6(2)3/h7H,2,5H2,1,3-4H3",C8H14O2,,,,,,SXPQDNXOZYVMPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.858,238-360-8,14395-08-5,"9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonic acid","9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonic acid",OS(=O)(=O)c1ccc2C(=O)c3cccc(c3C(=O)c2c1)S(=O)(=O)O,OS(=O)(=O)c1ccc2C(=O)c3cccc(c3C(=O)c2c1)S(=O)(=O)O,"InChI=1/C14H8O8S2/c15-13-8-5-4-7(23(17,18)19)6-10(8)14(16)12-9(13)2-1-3-11(12)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)",C14H8O8S2,,,,,,VNIFUVUQZVMDER-UHFFFAOYSA-N,,,,,,,,,,,
100.034.860,238-362-9,14398-36-8,"[S-(E)]-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",CC(=O)C=CC1C(=CCCC1(C)C)C,CC(=O)C=CC1C(=CCCC1(C)C)C,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3",C13H20O,,,,,,UZFLPKAIBPNNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.865,238-368-1,14401-93-5,4-methylpyridinium chloride,4-methylpyridinium chloride,[Cl-].Cc1cc[nH+]cc1,[Cl-].Cc1cc[nH+]cc1,"InChI=1/C6H7N.ClH/c1-6-2-4-7-5-3-6;/h2-5H,1H3;1H",C6H7N.ClH,,,,,,BSADJIPSKPADNV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.867,238-370-2,14402-73-4,Dilithium tetracyanoplatinate,dilithium tetrakis(cyano-kappaC)platinate(2-),[Li+].[Li+].N#C[Pt-2](C#N)(C#N)C#N,[Li+].[Li+].N#C[Pt-2](C#N)(C#N)C#N,"InChI=1/4CN.2Li.Pt/c4*1-2;;;/q;;;;2*+1;/rC4N4Pt.2Li/c5-1-9(2-6,3-7)4-8;;/q;2*+1",C4N4Pt.2Li,,,,,,PTUYOYBXTGNCJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.873,238-377-0,14405-43-7,"Tris(pentane-2,4-dionato-O,O')gallium",gallium tris(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Ga](OC(=CC(=O)C)C)OC(=CC(=O)C)C,CC(=O)C=C(C)O[Ga](OC(=CC(=O)C)C)OC(=CC(=O)C)C,"InChI=1/3C5H8O2.Ga/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3",C15H21GaO6,,,,,,ZVYYAYJIGYODSD-UHFFFAOYSA-K,,,,,,,,,,,
100.036.375,240-029-8,15892-23-6,(±)-butan-2-ol,butan-2-ol,CCC(C)O,CCC(C)O,"InChI=1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3",C4H10O,,,,,,BTANRVKWQNVYAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.376,240-030-3,15893-50-2,N-D-gluconoyl-L-leucine,"4-methyl-2-[(2,3,4,5,6-pentahydroxyhexanoyl)amino]pentanoic acid (non-preferred name)",CC(C)CC(NC(=O)C(O)C(O)C(O)C(O)CO)C(=O)O,CC(C)CC(NC(=O)C(O)C(O)C(O)C(O)CO)C(=O)O,"InChI=1/C12H23NO8/c1-5(2)3-6(12(20)21)13-11(19)10(18)9(17)8(16)7(15)4-14/h5-10,14-18H,3-4H2,1-2H3,(H,13,19)(H,20,21)",C12H23NO8,,,,,,ODWILBCFLAFDSM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.038,260-560-9,57101-59-4,"2,4,6-tris(nonadecafluorononyl)-1,3,5-triazine","2,4,6-tris(nonadecafluorononyl)-1,3,5-triazine",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C30F57N3/c31-4(32,7(37,38)10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)81)1-88-2(5(33,34)8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(82,83)84)90-3(89-1)6(35,36)9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(85,86)87",C30F57N3,,,,,,RTAZGRONMASOMW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.047,260-570-3,57119-83-2,"2-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthyl]amino]ethoxy]ethyl acetate","2-[2-({4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthyl}amino)ethoxy]ethyl acetate",Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCOCCOC(C)=O)c1ccccc12)[N+]([O-])=O,Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCOCCOC(C)=O)c1ccccc12)[N+]([O-])=O,"InChI=1/C22H20BrN5O7/c1-14(29)35-11-10-34-9-8-24-19-6-7-20(17-5-3-2-4-16(17)19)25-26-22-18(23)12-15(27(30)31)13-21(22)28(32)33/h2-7,12-13,24H,8-11H2,1H3",C22H20BrN5O7,,,,,,INEGGYCDKNFPJG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.053,260-577-1,57130-80-0,"N,N'-bis(2-aminoethyl)ethylenediamine, mono[1-methyl-2-(octyloxy)ethyl] derivative","N-(2-aminoethyl)-N'-(2-{[1-methyl-2-(octyloxy)ethyl]amino}ethyl)ethane-1,2-diamine",CCCCCCCCOCC(C)NCCNCCNCCN,CCCCCCCCOCC(C)NCCNCCNCCN,"InChI=1/C17H40N4O/c1-3-4-5-6-7-8-15-22-16-17(2)21-14-13-20-12-11-19-10-9-18/h17,19-21H,3-16,18H2,1-2H3",C17H40N4O,,,,,,NEYQJWIFNBCOHF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.062,260-587-6,57137-09-4,"Styrene, tribromo derivative","1,2,3-tribromo-4-vinylbenzene",Brc1ccc(C=C)c(Br)c1Br,Brc1ccc(C=C)c(Br)c1Br,"InChI=1/C8H5Br3/c1-2-5-3-4-6(9)8(11)7(5)10/h2-4H,1H2",C8H5Br3,,,,,,DOTSLXAPJSPHJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.524,262-196-6,60354-42-9,"Methyl (5ß,7a)-7-acetoxy-3,12-dioxocholan-24-oate","methyl 7-acetoxy-3,12-dioxocholan-24-oate",COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C)OC(=O)C,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C)OC(=O)C,"InChI=1/C27H40O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17,19-22,25H,6-14H2,1-5H3",C27H40O6,,,,,,OMMPWAYKPXWRDV-MAWLZVMFSA-N,,,,,,,,,,,
100.056.525,262-197-1,60354-76-9,"1-(fluoranthen-3-yl)-1H-pyrrole-2,5-dione","1-fluoranthen-3-yl-1H-pyrrole-2,5-dione",O=C1C=CC(=O)N1c2ccc3c4ccccc4c5cccc2c35,O=C1C=CC(=O)N1c2ccc3c4ccccc4c5cccc2c35,InChI=1/C20H11NO2/c22-18-10-11-19(23)21(18)17-9-8-15-13-5-2-1-4-12(13)14-6-3-7-16(17)20(14)15/h1-11H,C20H11NO2,,,,,,TUISHUGHCOJZCP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.549,262-223-1,60412-98-8,"Octadecen-9-yl hydrogen cyclohexane-1,2-dicarboxylate",2-{[(1-oct-7-en-1-yldecyl)oxy]carbonyl}cyclohexanecarboxylic acid,CCCCCCCCCC(CCCCCCC=C)OC(=O)C1CCCCC1C(=O)O,CCCCCCCCCC(CCCCCCC=C)OC(=O)C1CCCCC1C(=O)O,"InChI=1/C26H46O4/c1-3-5-7-9-11-13-15-19-22(18-14-12-10-8-6-4-2)30-26(29)24-21-17-16-20-23(24)25(27)28/h4,22-24H,2-3,5-21H2,1H3,(H,27,28)",C26H46O4,,,,,,WIJVGOMSQLXAMA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.552,262-226-8,60415-61-4,Isopentyl butyrate,3-methylbutyl butyrate,CCCC(=O)OCCC(C)C,CCCC(=O)OCCC(C)C,"InChI=1/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3",C9H18O2,,,,,,PQLMXFQTAMDXIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.465,264-330-9,63573-94-4,trans-1-(4-ethylcyclohexyl)ethyl acetate,1-(4-ethylcyclohexyl)ethyl acetate,CCC1CCC(CC1)C(C)OC(=O)C,CCC1CCC(CC1)C(C)OC(=O)C,"InChI=1/C12H22O2/c1-4-11-5-7-12(8-6-11)9(2)14-10(3)13/h9,11-12H,4-8H2,1-3H3",C12H22O2,,,,,,APEMNGQHJIUHFD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.466,264-331-4,63573-95-5,cis-1-(4-ethylcyclohexyl)ethyl acetate,1-(4-ethylcyclohexyl)ethyl acetate,CCC1CCC(CC1)C(C)OC(=O)C,CCC1CCC(CC1)C(C)OC(=O)C,"InChI=1/C12H22O2/c1-4-11-5-7-12(8-6-11)9(2)14-10(3)13/h9,11-12H,4-8H2,1-3H3",C12H22O2,,,,,,APEMNGQHJIUHFD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.469,264-335-6,63574-03-8,1-cyclohexyl-1-methylethyl isobutyrate,1-cyclohexyl-1-methylethyl 2-methylpropanoate,CC(C)C(=O)OC(C)(C)C1CCCCC1,CC(C)C(=O)OC(C)(C)C1CCCCC1,"InChI=1/C13H24O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,LLHBKSLMOGXHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.470,264-336-1,63579-89-5,"Triethyl pentane-1,3,5-tricarboxylate","triethyl pentane-1,3,5-tricarboxylate",CCOC(=O)CCC(CCC(=O)OCC)C(=O)OCC,CCOC(=O)CCC(CCC(=O)OCC)C(=O)OCC,"InChI=1/C14H24O6/c1-4-18-12(15)9-7-11(14(17)20-6-3)8-10-13(16)19-5-2/h11H,4-10H2,1-3H3",C14H24O6,,,,,,NYUHDOGHVKWGSO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.471,264-337-7,63584-40-7,"Ethyl 3-ethyl-7-methyl-2,6-octadienoate","ethyl 3-ethyl-7-methylocta-2,6-dienoate",CCOC(=O)C=C(CC\\C=C(/C)C)CC,CCOC(=O)C=C(CC\C=C(/C)C)CC,"InChI=1/C13H22O2/c1-5-12(9-7-8-11(3)4)10-13(14)15-6-2/h8,10H,5-7,9H2,1-4H3",C13H22O2,,,,,,KAMKWIZOEQZOLH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.477,264-344-5,63589-10-6,"Sodium 1-amino-4-p-anisidino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-methoxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,[Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,"InChI=1/C21H16N2O6S.Na/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1",C21H16N2O6S.Na,,,,,,UKZVMBMYDRZSBX-UHFFFAOYSA-M,,,,,,,,,,,
100.058.478,264-345-0,63589-20-8,2-ammoniothiazolium sulphate,"2-ammonio-1,3-thiazol-3-ium sulfate",[NH3+]c1[nH+]ccs1.[O-]S(=O)(=O)[O-],[NH3+]c1[nH+]ccs1.[O-]S(=O)(=O)[O-],"InChI=1/C3H4N2S.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h1-2H,(H2,4,5);(H2,1,2,3,4)",C3H4N2S.H2O4S,,,,,,QOJSIZLNPFGXCS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.480,264-347-1,63589-25-3,"4-diazo-3,4-dihydro-7-nitro-3-oxonaphthalene-1-sulphonic acid","4-diazo-7-nitro-3-oxo-3,4-dihydronaphthalene-1-sulfonic acid",OS(=O)(=O)C1=CC(=O)C(=[N+]=[N-])c2ccc(cc12)[N+](=O)[O-],OS(=O)(=O)C1=CC(=O)C(=[N+]=[N-])c2ccc(cc12)[N+](=O)[O-],"InChI=1/C10H5N3O6S/c11-12-10-6-2-1-5(13(15)16)3-7(6)9(4-8(10)14)20(17,18)19/h1-4H,(H,17,18,19)",C10H5N3O6S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5559,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.480,ARWGNJSGPHDIKK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.498,264-367-0,63614-18-6,"5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroisoquinoline-2(1H)-carboxaldehyde monoacetate","5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde acetate (salt)",CC(=O)O.CC(C)(C)NCC(O)COc1cccc2CN(CCc12)C=O,CC(=O)O.CC(C)(C)NCC(O)COc1cccc2CN(CCc12)C=O,"InChI=1/C17H26N2O3.C2H4O2/c1-17(2,3)18-9-14(21)11-22-16-6-4-5-13-10-19(12-20)8-7-15(13)16;1-2(3)4/h4-6,12,14,18,21H,7-11H2,1-3H3;1H3,(H,3,4)",C17H26N2O3.C2H4O2,,,,,,NQYQVLQUZAEBQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.215,242-052-9,18168-01-9,"3-ethyl-1,1-diphenylurea","3-ethyl-1,1-diphenylurea",CCNC(=O)N(c1ccccc1)c2ccccc2,CCNC(=O)N(c1ccccc1)c2ccccc2,"InChI=1/C15H16N2O/c1-2-16-15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,16,18)",C15H16N2O,,,,,,DIPWJRHVODJXKP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.232,242-071-2,18185-81-4,Oct-3-en-1-ol,oct-3-en-1-ol,CCCCC=CCCO,CCCCC=CCCO,"InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3",C8H16O,,,,,,YDXQPTHHAPCTPP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.234,242-073-3,18187-06-9,Trimethylsilyl (trimethylsilyl)sulphamate,trimethylsilyl (trimethylsilyl)sulfamate,C[Si](C)(C)NS(=O)(=O)O[Si](C)(C)C,C[Si](C)(C)NS(=O)(=O)O[Si](C)(C)C,"InChI=1/C6H19NO3SSi2/c1-12(2,3)7-11(8,9)10-13(4,5)6/h7H,1-6H3",C6H19NO3SSi2,,,,,,DJDBZHRIKZSDOX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.235,242-074-9,18189-02-1,Isopropyl anthranilate,isopropyl 2-aminobenzoate,CC(C)OC(=O)c1ccccc1N,CC(C)OC(=O)c1ccccc1N,"InChI=1/C10H13NO2/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3",C10H13NO2,,,,,,XKOZHFJYXAQZJX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.970,234-081-0,10525-39-0,"2,2-dimethylpropane-1,3-diyl dilaurate","2,2-dimethylpropane-1,3-diyl didodecanoate",CCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCC,"InChI=1/C29H56O4/c1-5-7-9-11-13-15-17-19-21-23-27(30)32-25-29(3,4)26-33-28(31)24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3",C29H56O4,,,,,,AICVNPFGQRNUCD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.975,234-086-8,10527-16-9,10-chloroanthracene-9-carbaldehyde,10-chloroanthracene-9-carbaldehyde,Clc1c2ccccc2c(C=O)c3ccccc13,Clc1c2ccccc2c(C=O)c3ccccc13,InChI=1/C15H9ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-9H,C15H9ClO,,,,,,SHYBXXMECBHHFH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.984,234-096-2,10533-67-2,(methylthio)acetaldehyde oxime,(methylsulfanyl)acetaldehyde oxime,CSC\\C=N\\O,CSC\C=N\O,"InChI=1/C3H7NOS/c1-6-3-2-4-5/h2,5H,3H2,1H3",C3H7NOS,,,,,,AGVHWUQIIQHFCW-DUXPYHPUSA-N,,,,,,,,,,,
100.030.994,234-107-0,10535-52-1,(tetrahydropyran-2-yl)methyl methacrylate,tetrahydro-2H-pyran-2-ylmethyl methacrylate,CC(=C)C(=O)OCC1CCCCO1,CC(=C)C(=O)OCC1CCCCO1,"InChI=1/C10H16O3/c1-8(2)10(11)13-7-9-5-3-4-6-12-9/h9H,1,3-7H2,2H3",C10H16O3,,,,,,FOKLVOHHYNATHU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.997,234-110-7,10537-73-2,"4-[(2,3-epoxypropoxy)methyl]-2-ethyl-2-methyl-1,3-dioxolane","2-ethyl-2-methyl-4-[(oxiran-2-ylmethoxy)methyl]-1,3-dioxolane",CCC1(C)OCC(COCC2CO2)O1,CCC1(C)OCC(COCC2CO2)O1,"InChI=1/C10H18O4/c1-3-10(2)13-7-9(14-10)5-11-4-8-6-12-8/h8-9H,3-7H2,1-2H3",C10H18O4,,,,,,ZHYIHFOUPHFJDM-UHFFFAOYSA-N,,,,,,,,,,,
100.031.131,234-257-7,11028-42-5,Cedrene,cedr-8-ene,CC1CCC2C(C)(C)C3CC12CC=C3C,CC1CCC2C(C)(C)C3CC12CC=C3C,"InChI=1/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3",C15H24,,,,,,IRAQOCYXUMOFCW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.830,238-329-9,14358-90-8,"1,2-dithiolane-3-valeric acid, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)","5-(1,2-dithiolan-3-yl)pentanoic acid - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)",NC(CO)(CO)CO.OC(=O)CCCCC1CCSS1,NC(CO)(CO)CO.OC(=O)CCCCC1CCSS1,"InChI=1/C8H14O2S2.C4H11NO3/c9-8(10)4-2-1-3-7-5-6-11-12-7;5-4(1-6,2-7)3-8/h7H,1-6H2,(H,9,10);6-8H,1-3,5H2",C8H14O2S2.C4H11NO3,,,,,,CCTREOMTIFSZAU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.832,238-332-5,14359-97-8,1-hydrazino-3-(methylthio)propan-2-ol,1-hydrazino-3-(methylsulfanyl)propan-2-ol,CSCC(O)CNN,CSCC(O)CNN,"InChI=1/C4H12N2OS/c1-8-3-4(7)2-6-5/h4,6-7H,2-3,5H2,1H3",C4H12N2OS,,,,,,UQVUGWOKYIMFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.833,238-333-0,14360-50-0,1-(2-furyl)hexanone,1-(2-furyl)hexan-2-one,O=C(CCCC)Cc1ccco1,O=C(CCCC)Cc1ccco1,"InChI=1/C10H14O2/c1-2-3-5-9(11)8-10-6-4-7-12-10/h4,6-7H,2-3,5,8H2,1H3",C10H14O2,,,,,,ZFOXBBGPKWFOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.034.834,238-334-6,14362-12-0,"2,2'-methylenebis[4,6-di-tert-butylphenol]","2,2'-methylenebis(4,6-di-tert-butylphenol)",CC(C)(C)c1cc(Cc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C,CC(C)(C)c1cc(Cc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C,"InChI=1/C29H44O2/c1-26(2,3)20-14-18(24(30)22(16-20)28(7,8)9)13-19-15-21(27(4,5)6)17-23(25(19)31)29(10,11)12/h14-17,30-31H,13H2,1-12H3",C29H44O2,,,,,,LXWZXEJDKYWBOW-UHFFFAOYSA-N,,,,,,,,,,,
100.034.837,238-337-2,14366-10-0,"1-chlorobutane-2,3-dione 2-oxime","1-chlorobutane-2,3-dione 2-oxime",CC(=O)C(CCl)=NO,CC(=O)C(CCl)=NO,"InChI=1/C4H6ClNO2/c1-3(7)4(2-5)6-8/h8H,2H2,1H3",C4H6ClNO2,,,,,,YOZWFAYEDBGMDN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.843,238-344-0,14372-64-6,6-propoxybenzothiazol-2-amine,"6-propoxy-1,3-benzothiazol-2-amine",CCCOc1ccc2nc(N)sc2c1,CCCOc1ccc2nc(N)sc2c1,"InChI=1/C10H12N2OS/c1-2-5-13-7-3-4-8-9(6-7)14-10(11)12-8/h3-4,6H,2,5H2,1H3,(H2,11,12)",C10H12N2OS,,,,,,QJWBDYBQSKYQKM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.472,266-540-6,67008-01-9,Ammonium barbiturate,"ammonium 4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[NH4+].[O-]C1=NC(=O)CC(=O)N1,[NH4+].[O-]C1=NC(=O)CC(=O)N1,"InChI=1/C4H4N2O3.H3N/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);1H3",C4H4N2O3.H3N,,,,,,MRXJRMIIIOKDMP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.473,266-541-1,67010-10-0,N-acetyl-5-hydroxy-L-tryptophan,N-acetyl-5-hydroxy-L-tryptophan,CC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,CC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,"InChI=1/C13H14N2O4/c1-7(16)15-12(13(18)19)4-8-6-14-11-3-2-9(17)5-10(8)11/h2-3,5-6,12,14,17H,4H2,1H3,(H,15,16)(H,18,19)",C13H14N2O4,,,,,,MOFGVUQTFJGNSG-LBPRGKRZSA-N,,,,,,,,,,,
100.060.474,266-542-7,67013-54-1,1-chloro-2-(dibromomethyl)benzene,1-chloro-2-(dibromomethyl)benzene,Clc1ccccc1C(Br)Br,Clc1ccccc1C(Br)Br,"InChI=1/C7H5Br2Cl/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H",C7H5Br2Cl,,,,,,HHYMMXLWYMUAAU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.494,261-062-4,57982-78-2,Budipine,"1-tert-butyl-4,4-diphenylpiperidine",CC(C)(C)N1CCC(CC1)(c2ccccc2)c3ccccc3,CC(C)(C)N1CCC(CC1)(c2ccccc2)c3ccccc3,"InChI=1/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3",C21H27N,,,,,,QIHLUZAFSSMXHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.496,261-065-0,57988-58-6,4-(4-bromophenyl)piperidin-4-ol,4-(4-bromophenyl)piperidin-4-ol,OC1(CCNCC1)c2ccc(Br)cc2,OC1(CCNCC1)c2ccc(Br)cc2,"InChI=1/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2",C11H14BrNO,,,,,,QNLXJYQUWCNYBH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.127,262-860-5,61585-90-8,Benzhydryl 2-(benzothiazol-2-yldithio)-a-(isopropenyl)-4-oxo-3-[(phenoxyacetyl)amino]azetidine-1-acetate,"diphenylmethyl 2-{2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(phenoxyacetyl)amino]azetidin-1-yl}-3-methylbut-3-enoate",CC(=C)C(N1C(SSc2nc3ccccc3s2)C(NC(=O)COc4ccccc4)C1=O)C(=O)OC(c5ccccc5)c6ccccc6,CC(=C)C(N1C(SSc2nc3ccccc3s2)C(NC(=O)COc4ccccc4)C1=O)C(=O)OC(c5ccccc5)c6ccccc6,"InChI=1/C36H31N3O5S3/c1-23(2)31(35(42)44-32(24-14-6-3-7-15-24)25-16-8-4-9-17-25)39-33(41)30(38-29(40)22-43-26-18-10-5-11-19-26)34(39)46-47-36-37-27-20-12-13-21-28(27)45-36/h3-21,30-32,34H,1,22H2,2H3,(H,38,40)",C36H31N3O5S3,,,,,,XIWJNWWOPFNDHF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.136,262-869-4,61610-54-6,4-chloro-3-oxo-N-(p-tolyl)butyramide,4-chloro-N-(4-methylphenyl)-3-oxobutanamide,Cc1ccc(NC(=O)CC(=O)CCl)cc1,Cc1ccc(NC(=O)CC(=O)CCl)cc1,"InChI=1/C11H12ClNO2/c1-8-2-4-9(5-3-8)13-11(15)6-10(14)7-12/h2-5H,6-7H2,1H3,(H,13,15)",C11H12ClNO2,,,,,,NSNSCJAIRFVCBB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.141,262-875-7,61621-35-0,3-hydrazinoquinoline dihydrochloride,3-hydrazinoquinoline dihydrochloride,Cl.Cl.NNc1cnc2ccccc2c1,Cl.Cl.NNc1cnc2ccccc2c1,"InChI=1/C9H9N3.2ClH/c10-12-8-5-7-3-1-2-4-9(7)11-6-8;;/h1-6,12H,10H2;2*1H",C9H9N3.2ClH,,,,,,IBORBSYHSWWFAU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.142,262-876-2,61625-13-6,1-[2-(2-hydroxyethoxy)ethoxy]dodecan-2-ol,1-[2-(2-hydroxyethoxy)ethoxy]dodecan-2-ol,CCCCCCCCCCC(O)COCCOCCO,CCCCCCCCCCC(O)COCCOCCO,"InChI=1/C16H34O4/c1-2-3-4-5-6-7-8-9-10-16(18)15-20-14-13-19-12-11-17/h16-18H,2-15H2,1H3",C16H34O4,,,,,,XAKJPEDIIFHZPU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.151,262-886-7,61667-41-2,"7-(2-ethoxyethoxy)-7-ethyl-3,6,8,11-tetraoxa-7-silatridecane","7-(2-ethoxyethoxy)-7-ethyl-3,6,8,11-tetraoxa-7-silatridecane",CCOCCO[Si](CC)(OCCOCC)OCCOCC,CCOCCO[Si](CC)(OCCOCC)OCCOCC,"InChI=1/C14H32O6Si/c1-5-15-9-12-18-21(8-4,19-13-10-16-6-2)20-14-11-17-7-3/h5-14H2,1-4H3",C14H32O6Si,,,,,,PUMRXZLAGZFRGO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.156,262-891-4,61677-60-9,2-chloro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide,2-chloro-N-{2-hydroxy-3-[methyl(phenyl)amino]propyl}benzamide,CN(CC(O)CNC(=O)c1ccccc1Cl)c2ccccc2,CN(CC(O)CNC(=O)c1ccccc1Cl)c2ccccc2,"InChI=1/C17H19ClN2O2/c1-20(13-7-3-2-4-8-13)12-14(21)11-19-17(22)15-9-5-6-10-16(15)18/h2-10,14,21H,11-12H2,1H3,(H,19,22)",C17H19ClN2O2,,,,,,MOJAPVMKZBMFTP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.158,262-894-0,61682-71-1,"2-ethyl-2-[[(1-oxodocosyl)oxy]methyl]propane-1,3-diyl didocosanoate","2,2-bis[(docosanoyloxy)methyl]butyl docosanoate (non-preferred name)",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C72H140O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-63-69(73)76-66-72(8-4,67-77-70(74)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)68-78-71(75)65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-68H2,1-4H3",C72H140O6,,,,,,SWRGMIIFXSIILX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.034,264-957-8,64601-12-3,Lithium methyl glutarate,lithium 5-methoxy-5-oxopentanoate,[Li+].COC(=O)CCCC(=O)[O-],[Li+].COC(=O)CCCC(=O)[O-],"InChI=1/C6H10O4.Li/c1-10-6(9)4-2-3-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1",C6H10O4.Li,,,,,,YVACGVLJRJXAIV-UHFFFAOYSA-M,,,,,,,,,,,
100.059.048,264-973-5,64611-93-4,"2-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-oxo-N-phenylbutyramide","2-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-3-oxo-N-phenylbutanamide",CC(=O)C(N=Nc3cccc2C(=O)c1ccccc1C(=O)c23)C(=O)Nc4ccccc4,CC(=O)C(N=Nc3cccc2C(=O)c1ccccc1C(=O)c23)C(=O)Nc4ccccc4,"InChI=1/C24H17N3O4/c1-14(28)21(24(31)25-15-8-3-2-4-9-15)27-26-19-13-7-12-18-20(19)23(30)17-11-6-5-10-16(17)22(18)29/h2-13,21H,1H3,(H,25,31)",C24H17N3O4,,,,,,DFRWBCUUBVLBGL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.073,260-599-1,57158-29-9,Aluminum zirconium chloride hydroxide,Aluminum zirconium chloride hydroxide,[OH-].[Al+3].[Cl-].[Zr+2],[OH-].[Al+3].[Cl-].[Zr+2],InChI=1/Al.ClH.H2O.Zr/h;1H;1H2;/q+3;;;+2/p-2,-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14708,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.073,IGYADUIBWNBAOT-UHFFFAOYSA-L,,,,,,,,,,,
100.038.247,242-088-5,18198-35-1,"Diethyl[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammonium","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,"InChI=1/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1",C27H33N2,,,,,,HXCILVUBKWANLN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.378,236-731-9,13470-06-9,Strontium nitrite,strontium dinitrite,[Sr+2].[O-]N=O.[O-]N=O,[Sr+2].[O-]N=O.[O-]N=O,"InChI=1/2HNO2.Sr/c2*2-1-3;/h2*(H,2,3);/q;;+2/p-2",HNO2.1/2Sr,,,,,,HOWFTCIROIVKLW-UHFFFAOYSA-L,,,,,,,,,,,
100.033.386,236-740-8,13472-08-7,"2,2'-azobis[2-methylbutyronitrile]","2,2'-diazene-1,2-diylbis(2-methylbutanenitrile)",CC(CC)(N=NC(C)(CC)C#N)C#N,CC(CC)(N=NC(C)(CC)C#N)C#N,"InChI=1/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3",C10H16N4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5486,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.386,AVTLBBWTUPQRAY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.399,236-754-4,13475-47-3,Didocosyl succinate,didocosyl succinate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C48H94O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-51-47(49)43-44-48(50)52-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3",C48H94O4,,,,,,IKGRKXISYLAKAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.031.142,234-269-2,11040-28-1,"(3ß,5a)-4-methylstigmasta-7,24(28)-dien-3-ol","4-methylstigmasta-7,24(28)-dien-3-ol",C\\C=C(\\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)/C(C)C,C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)/C(C)C,"InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3",C30H50O,,,,,,LPZCCMIISIBREI-GUPKAATASA-N,,,,,,,,,,,
100.031.146,234-273-4,11050-62-7,2-methyl-3-pent-2-enylcyclopent-2-enone,2-methyl-3-pent-2-en-1-ylcyclopent-2-en-1-one,C\\C1=C(/CC=CCC)CCC1=O,C\C1=C(/CC=CCC)CCC1=O,"InChI=1/C11H16O/c1-3-4-5-6-10-7-8-11(12)9(10)2/h4-5H,3,6-8H2,1-2H3",C11H16O,,,,,,GVONPEQEUQYVNH-UHFFFAOYSA-N,,,,,,,,,,,
100.031.156,234-284-4,11066-49-2,Isononylphenol,3-nonylphenol,CCCCCCCCCc1cccc(O)c1,CCCCCCCCCc1cccc(O)c1,"InChI=1/C15H24O/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14/h9,11-13,16H,2-8,10H2,1H3",C15H24O,,,,,,QWGLNWHWBCINBS-UHFFFAOYSA-N,,,,,,,,,,,
100.031.163,234-292-8,11071-12-8,N-methyldipropylenetriamine,"N-(3-aminopropyl)-N-methylpropane-1,3-diamine",CN(CCCN)CCCN,CN(CCCN)CCCN,"InChI=1/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3",C7H19N3,,,,,,KMBPCQSCMCEPMU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.183,234-315-1,11094-48-7,Epoxy-4-vinylcyclohexene,2-cyclohex-3-en-1-yloxirane,C1CC(CC=C1)C2CO2,C1CC(CC=C1)C2CO2,"InChI=1/C8H12O/c1-2-4-7(5-3-1)8-6-9-8/h1-2,7-8H,3-6H2",C8H12O,,,,,,OLKHRYQRCJLWLL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.187,234-319-3,11097-59-9,[carbonato(2-)]hexadecahydroxybis(aluminium)hexamagnesium,-,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[O-]C(=O)[O-],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[O-]C(=O)[O-],"InChI=1/CH2O3.2Al.6Mg.16H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;16*1H2/q;2*+3;6*+2;;;;;;;;;;;;;;;;/p-18",CH16Al2Mg6O19,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14965,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.187,GDVKFRBCXAPAQJ-UHFFFAOYSA-A,,,,,,,,,,,
100.036.380,240-035-0,15899-29-3,"2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoic acid","2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C7HF13O2/c8-2(9,1(21)22)4(11,12)5(13,14)3(10,6(15,16)17)7(18,19)20/h(H,21,22)",C7HF13O2,,,,,,QTDMKZFMFHHSLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.381,240-036-6,15899-31-7,Tetradecafluoroisononanoic acid,"2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)octanoic acid",OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C9HF17O2/c10-2(11,1(27)28)4(13,14)6(17,18)7(19,20)5(15,16)3(12,8(21,22)23)9(24,25)26/h(H,27,28)",C9HF17O2,,,,,,WIXVASFEKZIRFM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.384,240-039-2,15901-19-6,"20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl laurate","20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl laurate",CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C26H52O9/c1-2-3-4-5-6-7-8-9-10-11-26(28)35-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29-13-12-27/h27H,2-25H2,1H3",C26H52O9,,,,,,BQQKPNOCOGNCFY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.394,240-050-2,15907-14-9,"Stearic acid, chromium salt",-,[Cr+2].CCCCCCCCCCCCCCCCCC(=O)[O-],[Cr+2].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1",C18H36O2.xCr,,,,,,PIVKSRMGWUHEEE-UHFFFAOYSA-M,,,,,,,,,,,
100.060.127,266-161-6,66108-37-0,"2,2-bis(bromomethyl)-3-chloropropyl bis[2-chloro-1-(chloromethyl)ethyl] phosphate",3-bromo-2-(bromomethyl)-2-(chloromethyl)propyl bis[2-chloro-1-(chloromethyl)ethyl] phosphate,ClCC(CCl)OP(=O)(OCC(CCl)(CBr)CBr)OC(CCl)CCl,ClCC(CCl)OP(=O)(OCC(CCl)(CBr)CBr)OC(CCl)CCl,"InChI=1/C11H18Br2Cl5O4P/c12-5-11(6-13,7-18)8-20-23(19,21-9(1-14)2-15)22-10(3-16)4-17/h9-10H,1-8H2",C11H18Br2Cl5O4P,,,,,,XPNOZWKYSGBXLU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.337,259-790-2,55749-30-9,"[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid","[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetic acid",Cc1cc(C)nc(SCC(=O)O)n1,Cc1cc(C)nc(SCC(=O)O)n1,"InChI=1/C8H10N2O2S/c1-5-3-6(2)10-8(9-5)13-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)",C8H10N2O2S,,,,,,ZISGTWODACVVLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.349,259-803-1,55764-37-9,2-methylpent-2-enoyl chloride,2-methylpent-2-enoyl chloride,CC(=CCC)C(Cl)=O,CC(=CCC)C(Cl)=O,"InChI=1/C6H9ClO/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3",C6H9ClO,,,,,,JTQXJDWMNNIVRS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.351,259-805-2,55771-81-8,"Ethyl 3,5-dibromo-4-hydroxybenzoate","ethyl 3,5-dibromo-4-hydroxybenzoate",CCOC(=O)c1cc(Br)c(O)c(Br)c1,CCOC(=O)c1cc(Br)c(O)c(Br)c1,"InChI=1/C9H8Br2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3",C9H8Br2O3,,,,,,RLKDCOVOJVJVFI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.357,259-812-0,55774-32-8,"(7Z,9E)-dodecadienyl acetate","dodeca-1,3-dien-1-yl acetate",CC(=O)OC=CC=CCCCCCCCC,CC(=O)OC=CC=CCCCCCCCC,"InChI=1/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-13H,3-9H2,1-2H3",C14H24O2,,,,,,ODKORGDBKBYLSR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.359,259-814-1,55776-17-5,"2,6-dimethoxy-3-nitrobenzoic acid","2,6-dimethoxy-3-nitrobenzoic acid",COc1ccc(c(OC)c1C(=O)O)[N+](=O)[O-],COc1ccc(c(OC)c1C(=O)O)[N+](=O)[O-],"InChI=1/C9H9NO6/c1-15-6-4-3-5(10(13)14)8(16-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12)",C9H9NO6,,,,,,YIKBQFPTPKEFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.365,259-820-4,55794-20-2,"Ethyl 3,3-[bis(tert-butyl)dioxy]butyrate","ethyl 3,3-bis(tert-butylperoxy)butanoate",CCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C,CCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1/C14H28O6/c1-9-16-11(15)10-14(8,19-17-12(2,3)4)20-18-13(5,6)7/h9-10H2,1-8H3",C14H28O6,,,,,,HARQWLDROVMFJE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.500,259-970-0,56053-84-0,Butyl 2-thenoate,butyl thiophene-2-carboxylate,CCCCOC(=O)c1cccs1,CCCCOC(=O)c1cccs1,"InChI=1/C9H12O2S/c1-2-3-6-11-9(10)8-5-4-7-12-8/h4-5,7H,2-3,6H2,1H3",C9H12O2S,,,,,,VUSZPSYSKPXZQL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.309,252-056-2,34482-99-0,Fletazepam,"7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine",Fc1ccccc1C2=NCCN(CC(F)(F)F)c3ccc(Cl)cc23,Fc1ccccc1C2=NCCN(CC(F)(F)F)c3ccc(Cl)cc23,"InChI=1/C17H13ClF4N2/c18-11-5-6-15-13(9-11)16(12-3-1-2-4-14(12)19)23-7-8-24(15)10-17(20,21)22/h1-6,9H,7-8,10H2",C17H13ClF4N2,,,,,,CIZCSUNUBQXVFP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.310,252-057-8,34487-61-1,"Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenolate S,S-dioxide","sodium hydrogen 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenolate",[Na+].[O-]c1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4,[Na+].[O-]c1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4,"InChI=1/C19H14O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;/h1-12,20-21H;/q;+1/p-2",C19H14O5S.Na,,,,,,HKHYOKBQJILTEI-UHFFFAOYSA-L,,,,,,,,,,,
100.047.313,252-060-4,34490-86-3,"1,8-dimethoxyoctane-1,8-diyldiammonium dichloride",dimethyl octanebis(imidoate),COC(=N)CCCCCCC(=N)OC,COC(=N)CCCCCCC(=N)OC,"InChI=1/C10H20N2O2/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h11-12H,3-8H2,1-2H3",C10H20N2O2.2ClH,,,,,,FRTGEIHSCHXMTI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.322,252-070-9,34521-09-0,Antimony sodium tartrate,-,[Na+].[SbH3+3].OC(C(O)C(=O)[O-])C(=O)[O-],[Na+].[SbH3+3].OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.Na.Sb.3H/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;/q;+1;+3;;;/p-2/rC4H6O6.Na.H3Sb/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3/q;+1;+3/p-2",C8H4O12Sb2.2Na,,,,,,CLDMABSKXWFCBH-UHFFFAOYSA-L,,,,,,,,,,,
100.047.323,252-071-4,34523-28-9,5-(dimethylamino)naphthalene-1-sulphonyl fluoride,5-(dimethylamino)naphthalene-1-sulfonyl fluoride,CN(C)c1cccc2c(cccc12)S(=O)(=O)F,CN(C)c1cccc2c(cccc12)S(=O)(=O)F,"InChI=1/C12H12FNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3",C12H12FNO2S,,,,,,JMHHECQPPFEVMU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.326,252-075-6,34535-83-6,a-ethyl-4-[2-[(1-methyl-2-phenylethyl)amino]ethoxy]benzyl alcohol hydrochloride,1-(4-{2-[(1-methyl-2-phenylethyl)amino]ethoxy}phenyl)propan-1-ol hydrochloride,Cl.CCC(O)c1ccc(OCCNC(C)Cc2ccccc2)cc1,Cl.CCC(O)c1ccc(OCCNC(C)Cc2ccccc2)cc1,"InChI=1/C20H27NO2.ClH/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17;/h4-12,16,20-22H,3,13-15H2,1-2H3;1H",C20H27NO2.ClH,,,,,,LIMLACIQKMVOAD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.329,252-078-2,34542-56-8,"17,21-dihydroxy-16a-methylpregna-4,9(11)-diene-3,20-dione 21-acetate","17-hydroxy-16-methyl-3,20-dioxopregna-4,9(11)-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C,"InChI=1/C24H32O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h8,12,14,18,20,28H,5-7,9-11,13H2,1-4H3",C24H32O5,,,,,,SNMKPDYDNGYYEM-PYAFTSMNSA-N,,,,,,,,,,,
100.034.849,238-350-3,14376-79-5,"3,3,5,5-tetramethylcyclohexanone","3,3,5,5-tetramethylcyclohexanone",CC1(C)CC(=O)CC(C)(C)C1,CC1(C)CC(=O)CC(C)(C)C1,"InChI=1/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3",C10H18O,,,,,,OQJMHUOCLRCSED-UHFFFAOYSA-N,,,,,,,,,,,
100.034.854,238-356-6,14383-51-8,Endo-8-azabicyclo[3.2.1]octan-3-ol hydrochloride,8-azabicyclo[3.2.1]octan-3-ol hydrochloride,Cl.O[C@H]1C[C@H]2CC[C@@H](C1)N2,Cl.O[C@H]1C[C@H]2CC[C@@H](C1)N2,"InChI=1/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H",C7H13NO.ClH,,,,,,RROJVSOIIWHLCQ-QQJGYDLDSA-N,,,,,,,,,,,
100.034.861,238-363-4,14399-14-5,Chloramphenicol cinnamate,"3-phenylacrylic acid - 2,2-dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide (1:1)",OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-].OC(=O)\\C=C\\c2ccccc2,OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-].OC(=O)\C=C\c2ccccc2,"InChI=1/C11H12Cl2N2O5.C9H8O2/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20;10-9(11)7-6-8-4-2-1-3-5-8/h1-4,8-10,16-17H,5H2,(H,14,18);1-7H,(H,10,11)",C20H18Cl2N2O6,,,,,,OJIANGJGVFMHSC-BQEJJYMNSA-N,,,,,,,,,,,
100.034.869,238-372-3,14402-88-1,"Disodium [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']magnesate(2-)","disodium [2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetato(4-)]magnesate(2-)",[Na]OC(=O)CN(CCN1CC(=O)O[Mg]OC(=O)C1)CC(=O)O[Na],[Na]OC(=O)CN(CCN1CC(=O)O[Mg]OC(=O)C1)CC(=O)O[Na],"InChI=1/C10H16N2O8.Mg.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",C10H12MgN2O8.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11615,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.869,AWNVVAMWLMUZOZ-UHFFFAOYSA-J,,,,,,,,,,,
100.034.872,238-376-5,14405-03-9,"2,4'-dichloro-2'-o-chlorobenzoylacetanilide",2-chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide,ClCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2Cl,ClCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2Cl,"InChI=1/C15H10Cl3NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)",C15H10Cl3NO2,,,,,,VCBRYYAFVLDIHK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.377,240-031-9,15894-04-9,p-fluorotoluene-a-thiol,(4-fluorophenyl)methanethiol,Fc1ccc(CS)cc1,Fc1ccc(CS)cc1,"InChI=1/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",C7H7FS,,,,,,RKTRHMNWVZRZJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.036,260-558-8,57094-40-3,4-methyl-1-oxaspiro[5.5]undecan-4-ol,4-methyl-1-oxaspiro[5.5]undecan-4-ol,CC1(O)CCOC2(CCCCC2)C1,CC1(O)CCOC2(CCCCC2)C1,"InChI=1/C11H20O2/c1-10(12)7-8-13-11(9-10)5-3-2-4-6-11/h12H,2-9H2,1H3",C11H20O2,,,,,,WTYRGXLTFZYIIM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.037,260-559-3,57097-28-6,Pyridin-2-amine 1-oxide monohydrochloride,pyridin-2-amine 1-oxide hydrochloride,Cl.Nc1cccc[n+]1[O-],Cl.Nc1cccc[n+]1[O-],"InChI=1/C5H6N2O.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H,6H2;1H",C5H6N2O.ClH,,,,,,GZENQWSEJOBOAF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.050,260-574-5,57125-49-2,"4'-dodecyl[1,1'-biphenyl]-4-carbonitrile",4'-dodecylbiphenyl-4-carbonitrile,CCCCCCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C25H33N/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-17-24(18-14-22)25-19-15-23(21-26)16-20-25/h13-20H,2-12H2,1H3",C25H33N,,,,,,YTXPODSLSFRTBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.051,260-575-0,57125-50-5,"4'-(dodecyloxy)[1,1'-biphenyl]-4-carbonitrile",4'-(dodecyloxy)biphenyl-4-carbonitrile,CCCCCCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C25H33NO/c1-2-3-4-5-6-7-8-9-10-11-20-27-25-18-16-24(17-19-25)23-14-12-22(21-26)13-15-23/h12-19H,2-11,20H2,1H3",C25H33NO,,,,,,WYSZDBDWXPAHDS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.054,260-578-7,57130-87-7,2-phenylethyl oxoacetate,2-phenylethyl glyoxylate,O=CC(=O)OCCc1ccccc1,O=CC(=O)OCCc1ccccc1,"InChI=1/C10H10O3/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2",C10H10O3,,,,,,FMQUUOZOHJGBLK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.057,260-581-3,57133-25-2,3-hydroxy-2-[3-(morpholino)propyl]naphthalene-1-carboxamide,3-hydroxy-2-(3-morpholin-4-ylpropyl)-1-naphthamide,NC(=O)c1c(CCCN2CCOCC2)c(O)cc3ccccc13,NC(=O)c1c(CCCN2CCOCC2)c(O)cc3ccccc13,"InChI=1/C18H22N2O3/c19-18(22)17-14-5-2-1-4-13(14)12-16(21)15(17)6-3-7-20-8-10-23-11-9-20/h1-2,4-5,12,21H,3,6-11H2,(H2,19,22)",C18H22N2O3,,,,,,QOZVTDMGRXVAPM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.058,260-582-9,57134-36-8,1-methoxyhexan-2-one,1-methoxyhexan-2-one,CCCCC(=O)COC,CCCCC(=O)COC,"InChI=1/C7H14O2/c1-3-4-5-7(8)6-9-2/h3-6H2,1-2H3",C7H14O2,,,,,,HPVRZSQOEHEUKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.059,260-583-4,57134-53-9,"5-ethynylbenzo-1,3-dioxole","5-ethynyl-1,3-benzodioxole",C#Cc1ccc2OCOc2c1,C#Cc1ccc2OCOc2c1,"InChI=1/C9H6O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-5H,6H2",C9H6O2,,,,,,XMXCRJLWEKHZAV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.061,260-586-0,57135-68-9,1-chloro-2-isothiocyanato-4-nitrobenzene,1-chloro-2-isothiocyanato-4-nitrobenzene,[O-][N+](=O)c1ccc(Cl)c(c1)N=C=S,[O-][N+](=O)c1ccc(Cl)c(c1)N=C=S,InChI=1/C7H3ClN2O2S/c8-6-2-1-5(10(11)12)3-7(6)9-4-13/h1-3H,C7H3ClN2O2S,,,,,,QSSZYQDXSYYXKK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.058,264-984-5,64637-01-0,"2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one","2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one",CC1(C)CC(C)(C)C(=O)C(=C1)O,CC1(C)CC(C)(C)C(=O)C(=C1)O,"InChI=1/C10H16O2/c1-9(2)5-7(11)8(12)10(3,4)6-9/h5,11H,6H2,1-4H3",C10H16O2,,,,,,ZDVYJSLTFYQPID-UHFFFAOYSA-N,,,,,,,,,,,
100.059.060,264-986-6,64641-87-8,Butyl (1-oxoallyl)carbamate,butyl acryloylcarbamate,CCCCOC(=O)NC(=O)C=C,CCCCOC(=O)NC(=O)C=C,"InChI=1/C8H13NO3/c1-3-5-6-12-8(11)9-7(10)4-2/h4H,2-3,5-6H2,1H3,(H,9,10,11)",C8H13NO3,,,,,,IUGOJGRUYWFWTO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.063,264-989-2,64643-76-1,"(5a)-4,5-epoxy-17-methyl-6-oxomorphinan-3,14-diyl diacetate","17-methyl-6-oxo-4,5-epoxymorphinan-3,14-diyl diacetate",CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@]2(CCC4=O)OC(=O)C)c35,CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@]2(CCC4=O)OC(=O)C)c35,"InChI=1/C21H23NO6/c1-11(23)26-15-5-4-13-10-16-21(28-12(2)24)7-6-14(25)19-20(21,8-9-22(16)3)17(13)18(15)27-19/h4-5,16,19H,6-10H2,1-3H3",C21H23NO6,,,,,,OPPSZLCGCWIRIA-MBPVOVBZSA-N,,,,,,,,,,,
100.059.069,264-996-0,64653-97-0,"Oleic acid, compound with 1H-benzotriazole",octadec-9-enoic acid - 1H-benzotriazole (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.c1ccc2[nH]nnc2c1,CCCCCCCC\C=C/CCCCCCCC(=O)O.c1ccc2[nH]nnc2c1,"InChI=1/C18H34O2.C6H5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5(3-1)7-9-8-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H,(H,7,8,9)",C18H34O2.xC6H5N3,,,,,,FNPOUUYXQRTDRX-KVVVOXFISA-N,,,,,,,,,,,
100.061.102,267-232-4,67827-68-3,"2,2'-[(tetrahydro-4H-1,3,6,2-dioxazaborocin-2-yl)imino]bisethanol","2,2'-(1,3,6,2-dioxazaborocan-2-ylimino)diethanol",OCCN(CCO)B1OCCNCCO1,OCCN(CCO)B1OCCNCCO1,"InChI=1/C8H19BN2O4/c12-5-3-11(4-6-13)9-14-7-1-10-2-8-15-9/h10,12-13H,1-8H2",C8H19BN2O4,,,,,,ZQJBYMDNENDMAM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.110,267-241-3,67828-20-0,N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]naphthalene-2-carboxamide,N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-2-naphthamide,COc4ccc(Cl)cc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)[N+]([O-])=O)c3O,COc4ccc(Cl)cc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)[N+]([O-])=O)c3O,"InChI=1/C25H19ClN4O5/c1-14-7-9-17(30(33)34)13-20(14)28-29-23-18-6-4-3-5-15(18)11-19(24(23)31)25(32)27-21-12-16(26)8-10-22(21)35-2/h3-13,31H,1-2H3,(H,27,32)",C25H19ClN4O5,,,,,,KYRHIHGLWNLWTO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.123,267-256-5,67828-33-5,Monosodium 2-aminobenzothiazole-6-carboxylate,"sodium 2-amino-1,3-benzothiazole-6-carboxylate",[Na+].Nc1nc2ccc(cc2s1)C(=O)[O-],[Na+].Nc1nc2ccc(cc2s1)C(=O)[O-],"InChI=1/C8H6N2O2S.Na/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8;/h1-3H,(H2,9,10)(H,11,12);/q;+1/p-1",C8H6N2O2S.Na,,,,,,MIOQTAOQNAUMOI-UHFFFAOYSA-M,,,,,,,,,,,
100.055.752,261-347-3,58593-33-2,"2,2'-[octane-1,8-diylbis(thio)]bisethanol","2,2'-(octane-1,8-diyldisulfanediyl)diethanol",OCCSCCCCCCCCSCCO,OCCSCCCCCCCCSCCO,"InChI=1/C12H26O2S2/c13-7-11-15-9-5-3-1-2-4-6-10-16-12-8-14/h13-14H,1-12H2",C12H26O2S2,,,,,,RFWDYENQLCEITI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.755,261-351-5,58594-72-2,"1-[2-(allyloxy)ethyl-2-(2,4-dichlorophenyl)-1H-imidazolium hydrogen sulphate","1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole sulfate",OS(=O)(=O)O.Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,OS(=O)(=O)O.Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,"InChI=1/C14H14Cl2N2O.H2O4S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;1-5(2,3)4/h2-6,8,10,14H,1,7,9H2;(H2,1,2,3,4)",C14H14Cl2N2O.xH2O4S,,,,,,XVTXMTOYQVRHSK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.757,261-353-6,58596-05-7,5-[bis(methylsulphonyl)amino]-1-[(methylsulphonyl)oxy]naphthalene-2-sulphonyl chloride,5-[bis(methylsulfonyl)amino]-2-(chlorosulfonyl)-1-naphthyl methanesulfonate,CS(=O)(=O)Oc1c(ccc2c(cccc12)N(S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)Cl,CS(=O)(=O)Oc1c(ccc2c(cccc12)N(S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)Cl,"InChI=1/C13H14ClNO9S4/c1-25(16,17)15(26(2,18)19)11-6-4-5-10-9(11)7-8-12(28(14,22)23)13(10)24-27(3,20)21/h4-8H,1-3H3",C13H14ClNO9S4,,,,,,YRNVMLHKHZVDMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.759,261-355-7,58596-09-1,5-(acetylamino)-1-(acetyloxy)naphthalene-2-sulphonyl chloride,5-acetamido-2-(chlorosulfonyl)-1-naphthyl acetate,CC(=O)Nc1cccc2c(OC(=O)C)c(ccc12)S(=O)(=O)Cl,CC(=O)Nc1cccc2c(OC(=O)C)c(ccc12)S(=O)(=O)Cl,"InChI=1/C14H12ClNO5S/c1-8(17)16-12-5-3-4-11-10(12)6-7-13(22(15,19)20)14(11)21-9(2)18/h3-7H,1-2H3,(H,16,17)",C14H12ClNO5S,,,,,,GCTZQGUIBACLJL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.479,266-547-4,67023-96-5,"Dodecylamine, compound with 3-hydroxy-1,3-thiaphosphetane 3-oxide (1:1)","1,3-thiaphosphetan-3-ol 3-oxide - dodecan-1-amine (1:1)",CCCCCCCCCCCCN.OP1(=O)CSC1,CCCCCCCCCCCCN.OP1(=O)CSC1,"InChI=1/C12H27N.C2H5O2PS/c1-2-3-4-5-6-7-8-9-10-11-12-13;3-5(4)1-6-2-5/h2-13H2,1H3;1-2H2,(H,3,4)",C12H27N.C2H5O2PS,,,,,,JDOHKUJYBKIYSN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.483,266-552-1,67026-10-2,"Naphthalene-1-acetic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","1-naphthylacetic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)Cc1cccc2ccccc12,OCCN(CCO)CCO.OC(=O)Cc1cccc2ccccc12,"InChI=1/C12H10O2.C6H15NO3/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;8-4-1-7(2-5-9)3-6-10/h1-7H,8H2,(H,13,14);8-10H,1-6H2",C12H10O2.C6H15NO3,,,,,,JYSSLDLFRGGWFR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.396,240-052-3,15909-94-1,5-(5-mercapto-1H-tetrazol-1-yl)isophthalic acid,5-(5-sulfanyl-1H-tetrazol-1-yl)isophthalic acid,OC(=O)c1cc(cc(c1)n2nnnc2S)C(=O)O,OC(=O)c1cc(cc(c1)n2nnnc2S)C(=O)O,"InChI=1/C9H6N4O4S/c14-7(15)4-1-5(8(16)17)3-6(2-4)13-9(18)10-11-12-13/h1-3H,(H,14,15)(H,16,17)(H,10,12,18)",C9H6N4O4S,,,,,,LXGZJSKVCIUYMT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.413,240-071-7,15933-07-0,"Ethyl acetoacetate, sodium salt",-,[Na+].CCOC(=O)CC(=O)C,[Na+].CCOC(=O)CC(=O)C,"InChI=1/C6H10O3.Na/c1-3-9-6(8)4-5(2)7;/h3-4H2,1-2H3;/q;+1",C6H10O3,,,,,,GYOAWOPFEAXJDY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.612,251-289-7,32915-71-2,"5,6-dichloro-3-[2-(diethylamino)ethyl]-1-ethyl-2-methylbenzimidazolium chloride monohydrochloride","5,6-dichloro-1-[2-(diethylamino)ethyl]-3-ethyl-2-methyl-1H-benzimidazol-3-ium chloride hydrochloride",Cl.[Cl-].CCN(CC)CCn1c(C)[n+](CC)c2cc(Cl)c(Cl)cc12,Cl.[Cl-].CCN(CC)CCn1c(C)[n+](CC)c2cc(Cl)c(Cl)cc12,"InChI=1/C16H24Cl2N3.2ClH/c1-5-19(6-2)8-9-21-12(4)20(7-3)15-10-13(17)14(18)11-16(15)21;;/h10-11H,5-9H2,1-4H3;2*1H/q+1;;/p-1",C16H24Cl2N3.ClH.Cl,,,,,,GBNSKCPVDPAKLN-UHFFFAOYSA-M,,,,,,,,,,,
100.046.617,251-294-4,32917-52-5,"a,2,5-trimethylbenzyl alcohol","1-(2,5-dimethylphenyl)ethanol",CC(O)c1cc(C)ccc1C,CC(O)c1cc(C)ccc1C,"InChI=1/C10H14O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9,11H,1-3H3",C10H14O,,,,,,VHLZFCOCNJEXTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.758,251-450-1,33305-77-0,N-(tert-butoxycarbonyl)-4-nitro-3-phenyl-L-alanine,N-(tert-butoxycarbonyl)-4-nitrophenylalanine,CC(C)(C)OC(=O)NC(Cc1ccc(cc1)N(=O)=O)C(=O)O,CC(C)(C)OC(=O)NC(Cc1ccc(cc1)N(=O)=O)C(=O)O,"InChI=1/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)",C14H18N2O6,,,,,,XBQADBXCNQPHHY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.765,251-458-5,33325-40-5,3-(acetylthio)-2-methylpropionic acid,3-(acetylsulfanyl)-2-methylpropanoic acid,CC(CSC(=O)C)C(=O)O,CC(CSC(=O)C)C(=O)O,"InChI=1/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)",C6H10O3S,,,,,,VFVHNRJEYQGRGE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.768,251-461-1,33335-58-9,Dimethyltubocurarinium chloride,"6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium dichloride",[Cl-].[Cl-].COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(C[C@H]6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5,[Cl-].[Cl-].COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(C[C@H]6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5,"InChI=1/C40H48N2O6.2ClH/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2",C40H48N2O6.2Cl,,,,,,IRPSJVWFSWAZSZ-OIUSMDOTSA-L,,,,,,,,,,,
100.046.769,251-462-7,33340-33-9,"Disodium [[4-(acetylamino)phenyl]amino]amino-9,10-dihydro-9,10-dioxoanthracenedisulphonate","disodium 3-[2-(4-acetamidophenyl)hydrazino]-9,10-dioxo-9,10-dihydroanthracene-1,2-disulfonate",[Na+].[Na+].CC(=O)Nc1ccc(NNc2cc3C(=O)c4ccccc4C(=O)c3c(c2S(=O)(=O)[O-])S(=O)(=O)[O-])cc1,[Na+].[Na+].CC(=O)Nc1ccc(NNc2cc3C(=O)c4ccccc4C(=O)c3c(c2S(=O)(=O)[O-])S(=O)(=O)[O-])cc1,"InChI=1/C22H17N3O9S2.2Na/c1-11(26)23-12-6-8-13(9-7-12)24-25-17-10-16-18(22(36(32,33)34)21(17)35(29,30)31)20(28)15-5-3-2-4-14(15)19(16)27;;/h2-10,24-25H,1H3,(H,23,26)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H17N3O9S2.2Na,,,,,,GRJQQBBRSHQZFG-UHFFFAOYSA-L,,,,,,,,,,,
100.046.773,251-466-9,33363-87-0,"Disodium 5-[[4'-[[4-[[diamino[[3-[(2,4-diaminophenyl)azo]phenyl]azo]phenyl]azo]sulphonato-1-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-({4'-[(4-{[2,3-diamino-4-({3-[(2,4-diaminophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-2-sulfonato-1-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c8ccc(N=Nc7c3ccccc3c(N=Nc6ccc(N=Nc5cccc(N=Nc4ccc(N)cc4N)c5)c(N)c6N)cc7S([O-])(=O)=O)cc8,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c8ccc(N=Nc7c3ccccc3c(N=Nc6ccc(N=Nc5cccc(N=Nc4ccc(N)cc4N)c5)c(N)c6N)cc7S([O-])(=O)=O)cc8,"InChI=1/C47H36N14O6S.2Na/c48-28-12-18-38(37(49)22-28)57-55-31-4-3-5-32(23-31)56-58-39-19-20-40(45(51)44(39)50)59-60-41-25-43(68(65,66)67)46(35-7-2-1-6-34(35)41)61-53-30-15-10-27(11-16-30)26-8-13-29(14-9-26)52-54-33-17-21-42(62)36(24-33)47(63)64;;/h1-25,62H,48-51H2,(H,63,64)(H,65,66,67);;/q;2*+1/p-2",C47H36N14O6S.2Na,,,,,,IBIAVNBCJHHLAE-UHFFFAOYSA-L,,,,,,,,,,,
100.052.583,257-860-7,52337-78-7,Cadmium o-toluate,cadmium bis(2-methylbenzoate),[Cd+2].Cc1ccccc1C(=O)[O-].Cc2ccccc2C(=O)[O-],[Cd+2].Cc1ccccc1C(=O)[O-].Cc2ccccc2C(=O)[O-],"InChI=1/2C8H8O2.Cd/c2*1-6-4-2-3-5-7(6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Cd,,,,,,CTBIYKCSLJGMRW-UHFFFAOYSA-L,,,,,,,,,,,
100.052.584,257-861-2,52338-87-1,"1,3-bis[3-(dimethylamino)propyl]urea","1,3-bis[3-(dimethylamino)propyl]urea",CN(C)CCCNC(=O)NCCCN(C)C,CN(C)CCCNC(=O)NCCCN(C)C,"InChI=1/C11H26N4O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)",C11H26N4O,,,,,,FCQPNTOQFPJCMF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.590,257-868-0,52352-03-1,Trisodium hexabromoiridate,-,[Na+].[Na+].[Na+].Br[Ir-2](Br)(Br)(Br)(Br)Br,[Na+].[Na+].[Na+].Br[Ir-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.Ir.3Na/h6*1H;;;;/q;;;;;;+4;3*+1/p-6/rBr6Ir.3Na/c1-7(2,3,4,5)6;;;/q-2;3*+1",Br6Ir.3Na,,,,,,XQOVKLHOEQFZNZ-UHFFFAOYSA-H,,,,,,,,,,,
100.047.340,252-090-8,34562-29-3,"3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl hexadecanoate","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl palmitate",CCCCCCCCCCCCCCCC(=O)Oc1c(C)c(C)c2OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CCc2c1C,CCCCCCCCCCCCCCCC(=O)Oc1c(C)c(C)c2OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CCc2c1C,"InChI=1/C45H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-31-42(46)47-43-38(6)39(7)44-41(40(43)8)32-34-45(9,48-44)33-25-30-37(5)29-24-28-36(4)27-23-26-35(2)3/h35-37H,10-34H2,1-9H3",C45H80O3,,,,,,GEDVGZULFCXUQL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.342,252-092-9,34564-06-2,"N-(1,1-dimethyl-3-oxobutyl)oxirane-2-carboxamide","N-(1,1-dimethyl-3-oxobutyl)oxirane-2-carboxamide",CC(=O)CC(C)(C)NC(=O)C1CO1,CC(=O)CC(C)(C)NC(=O)C1CO1,"InChI=1/C9H15NO3/c1-6(11)4-9(2,3)10-8(12)7-5-13-7/h7H,4-5H2,1-3H3,(H,10,12)",C9H15NO3,,,,,,DPJLQTWQGJDAPI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.344,252-095-5,34570-17-7,Amidinomalonamide hydrochloride,2-carbamimidoylmalonamide hydrochloride,Cl.NC(=N)C(C(=O)N)C(=O)N,Cl.NC(=N)C(C(=O)N)C(=O)N,"InChI=1/C4H8N4O2.ClH/c5-2(6)1(3(7)9)4(8)10;/h1H,(H3,5,6)(H2,7,9)(H2,8,10);1H",C3H7N3O.ClH,,,,,,KFJIPPBKNPSZOM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.348,252-099-7,34580-13-7,Ketotifen,"4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one",CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1,CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1,"InChI=1/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3",C19H19NOS,,,,,,ZCVMWBYGMWKGHF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.351,252-102-1,34586-50-0,m-ethylbenzenesulphonyl fluoride,3-ethylbenzenesulfonyl fluoride,CCc1cccc(c1)S(=O)(=O)F,CCc1cccc(c1)S(=O)(=O)F,"InChI=1/C8H9FO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h3-6H,2H2,1H3",C8H9FO2S,,,,,,ONMDVARUZGDUIW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.555,262-229-4,60430-04-8,Pentazinc hydroxide tris(phosphate),pentazinc hydroxide tris(phosphate),[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3H3O4P.H2O.5Zn/c3*1-5(2,3)4;;;;;;/h3*(H3,1,2,3,4);1H2;;;;;/q;;;;5*+2/p-10",HO13P3Zn5,,,,,,XZDVQZDZOXPGBB-UHFFFAOYSA-D,,,,,,,,,,,
100.056.556,262-231-5,60434-13-1,"5-chloro-1-methyl-1H-indole-2,3-dione","5-chloro-1-methyl-1H-indole-2,3-dione",CN1C(=O)C(=O)c2cc(Cl)ccc12,CN1C(=O)C(=O)c2cc(Cl)ccc12,"InChI=1/C9H6ClNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3",C9H6ClNO2,,,,,,NJOPQQPDPYWFFA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.558,262-233-6,60435-69-0,"5-[(2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinolin-6-yl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","5-[(1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)diazenyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C4=C(/C)C(/N=Nc3ccc2c1c3cccc1C(=O)NC2=O)=C(/O)NC4=O,N#C\C4=C(/C)C(/N=Nc3ccc2c1c3cccc1C(=O)NC2=O)=C(/O)NC4=O,"InChI=1/C19H11N5O4/c1-8-12(7-20)18(27)22-19(28)15(8)24-23-13-6-5-11-14-9(13)3-2-4-10(14)16(25)21-17(11)26/h2-6H,1H3,(H,21,25,26)(H2,22,27,28)",C19H11N5O4,,,,,,JRKGYSDIGGBMPD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.562,262-237-8,60450-40-0,"3,3-dimethylspiro[cyclopropane-1,1'-[1H]indene]-2-carbonyl chloride","3,3-dimethylspiro[cyclopropane-1,1'-indene]-2-carbonyl chloride",CC1(C)C(C(=O)Cl)C12C=Cc3ccccc23,CC1(C)C(C(=O)Cl)C12C=Cc3ccccc23,"InChI=1/C14H13ClO/c1-13(2)11(12(15)16)14(13)8-7-9-5-3-4-6-10(9)14/h3-8,11H,1-2H3",C14H13ClO,,,,,,ICBPPBCKUQGUNB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.567,262-243-0,60457-92-3,2-(hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate,2-(hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylpentanoate,CCCC(C)(CO)COC(=O)C(C)(CO)CCC,CCCC(C)(CO)COC(=O)C(C)(CO)CCC,"InChI=1/C14H28O4/c1-5-7-13(3,9-15)11-18-12(17)14(4,10-16)8-6-2/h15-16H,5-11H2,1-4H3",C14H28O4,,,,,,WXCVYDAVMKYAPF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.569,262-245-1,60459-10-1,"4,4'-[(2-chlorophenyl)methoxymethylene]bis[N-ethyl-o-toluidine]","4,4'-[(2-chlorophenyl)(methoxy)methylene]bis(N-ethyl-2-methylaniline)",CCNc1ccc(cc1C)C(OC)(c2ccc(NCC)c(C)c2)c3ccccc3Cl,CCNc1ccc(cc1C)C(OC)(c2ccc(NCC)c(C)c2)c3ccccc3Cl,"InChI=1/C26H31ClN2O/c1-6-28-24-14-12-20(16-18(24)3)26(30-5,22-10-8-9-11-23(22)27)21-13-15-25(29-7-2)19(4)17-21/h8-17,28-29H,6-7H2,1-5H3",C26H31ClN2O,,,,,,GRLWPGPLHAAVLE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.570,262-246-7,60462-02-4,Ethyl 2-acetyl-3-oxooctanoate,ethyl 2-acetyl-3-oxooctanoate,CCCCCC(=O)C(C(=O)C)C(=O)OCC,CCCCCC(=O)C(C(=O)C)C(=O)OCC,"InChI=1/C12H20O4/c1-4-6-7-8-10(14)11(9(3)13)12(15)16-5-2/h11H,4-8H2,1-3H3",C12H20O4,,,,,,IMBGUKJEVQHNPC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.572,262-248-8,60468-48-6,"Bis(2,3-epoxypropyl) malonate",bis(oxiran-2-ylmethyl) malonate,O=C(CC(=O)OCC1CO1)OCC2CO2,O=C(CC(=O)OCC1CO1)OCC2CO2,"InChI=1/C9H12O6/c10-8(14-4-6-2-12-6)1-9(11)15-5-7-3-13-7/h6-7H,1-5H2",C9H12O6,,,,,,LODXXJFSCJTDPW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.573,262-249-3,60468-54-4,Alpha-chloro-2-methyl-3-nitrotoluene,1-(chloromethyl)-2-methyl-3-nitrobenzene,Cc1c(CCl)cccc1[N+](=O)[O-],Cc1c(CCl)cccc1[N+](=O)[O-],"InChI=1/C8H8ClNO2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,5H2,1H3",C8H8ClNO2,,,,,,XZNDXQGZPOZITR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.578,262-255-6,60476-40-6,"Phosphoric acid, decyl ester",decyl dihydrogen phosphate,CCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCOP(=O)(O)O,"InChI=1/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)",-,,,,,,SCIGVHCNNXTQDB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.068,260-593-9,57147-05-4,"2,3,5,6-tetrabromo-p-xylene-a,a'-diyl diacetate","(2,3,5,6-tetrabromo-1,4-phenylene)bis(methylene) diacetate",CC(=O)OCc1c(Br)c(Br)c(COC(=O)C)c(Br)c1Br,CC(=O)OCc1c(Br)c(Br)c(COC(=O)C)c(Br)c1Br,"InChI=1/C12H10Br4O4/c1-5(17)19-3-7-9(13)11(15)8(4-20-6(2)18)12(16)10(7)14/h3-4H2,1-2H3",C12H10Br4O4,,,,,,FMEBTGCETGEFTE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.076,260-602-6,57166-92-4,Methylenediamine dihydrochloride,methanediamine dihydrochloride,Cl.Cl.NCN,Cl.Cl.NCN,InChI=1/CH6N2.2ClH/c2-1-3;;/h1-3H2;2*1H,CH6N2.2ClH,,,,,,QCYJCJJCNRIMNG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.236,242-075-4,18189-05-4,Hexyl anthranilate,hexyl 2-aminobenzoate,CCCCCCOC(=O)c1ccccc1N,CCCCCCOC(=O)c1ccccc1N,"InChI=1/C13H19NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9H,2-4,7,10,14H2,1H3",C13H19NO2,,,,,,YMQOKTHPONOAKK-UHFFFAOYSA-N,,,,,,,,,,,
100.038.239,242-079-6,18190-21-1,Triethyl[2-lauroylethyl]ammonium ethyl sulphate,"N,N,N-triethyl-3-oxotetradecan-1-aminium ethyl sulfate",CCCCCCCCCCCC(=O)CC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCC(=O)CC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-],"InChI=1/C20H42NO.C2H6O4S/c1-5-9-10-11-12-13-14-15-16-17-20(22)18-19-21(6-2,7-3)8-4;1-2-6-7(3,4)5/h5-19H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C20H42NO2.C2H5O4S,,,,,,PNEFFXICHHBYER-UHFFFAOYSA-M,,,,,,,,,,,
100.038.243,242-083-8,18190-99-3,"4,5-dihydroxy-1-(hydroxymethyl)-3-(methoxymethyl)imidazolidin-2-one","4,5-dihydroxy-1-(hydroxymethyl)-3-(methoxymethyl)imidazolidin-2-one",COCN1C(O)C(O)N(CO)C1=O,COCN1C(O)C(O)N(CO)C1=O,"InChI=1/C6H12N2O5/c1-13-3-8-5(11)4(10)7(2-9)6(8)12/h4-5,9-11H,2-3H2,1H3",C6H12N2O5,,,,,,KGMHAIHCEYDEIV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.244,242-084-3,18191-00-9,"4-hydroxy-1,3-bis(hydroxymethyl)-5-methoxyimidazolidin-2-one","4-hydroxy-1,3-bis(hydroxymethyl)-5-methoxyimidazolidin-2-one",COC1C(O)N(CO)C(=O)N1CO,COC1C(O)N(CO)C(=O)N1CO,"InChI=1/C6H12N2O5/c1-13-5-4(11)7(2-9)6(12)8(5)3-10/h4-5,9-11H,2-3H2,1H3",C6H12N2O5,,,,,,DDTMTHCUKRELBA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.376,236-729-8,13470-01-4,Strontium iodate,strontium diiodate,[Sr+2].[O-]I(=O)=O.[O-]I(=O)=O,[Sr+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/2HIO3.Sr/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",HIO3.1/2Sr,,,,,,JKGZNVNIOGGUKH-UHFFFAOYSA-L,,,,,,,,,,,
100.033.380,236-734-5,13470-20-7,Uranium tetrabromide,uranium tetrabromide,[Br-].[Br-].[Br-].[Br-].[U+2].[U+2],[Br-].[Br-].[Br-].[Br-].[U+2].[U+2],InChI=1/4BrH.2U/h4*1H;;/q;;;;2*+2/p-4,Br4U,,,,,,UOICGFZFBNVBGM-UHFFFAOYSA-J,,,,,,,,,,,
100.033.387,236-741-3,13472-30-5,Tetrasodium orthosilicate,tetrasodium orthosilicate,[Na+].[Na+].[Na+].[Na+].[O-][Si]([O-])([O-])[O-],[Na+].[Na+].[Na+].[Na+].[O-][Si]([O-])([O-])[O-],"InChI=1/4Na.O4Si/c;;;;1-5(2,3)4/q4*+1;-4",H4O4Si.4Na,,,,,,POWFTOSLLWLEBN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.397,236-752-3,13474-25-4,3-methyl-1-vinyl-1H-imidazolium chloride,"3-methyl-1-vinyl-2,3-dihydro-1H-imidazol-1-ium chloride",[Cl-].CN1C[NH+](C=C)C=C1,[Cl-].CN1C[NH+](C=C)C=C1,"InChI=1/C6H10N2.ClH/c1-3-8-5-4-7(2)6-8;/h3-5H,1,6H2,2H3;1H",C6H9N2.Cl,,,,,,QARDSQYLYGISQN-UHFFFAOYSA-N,,,,,,,,,,,
100.033.400,236-756-5,13475-81-5,"2,2,3,3-tetramethylhexane","2,2,3,3-tetramethylhexane",CCCC(C)(C)C(C)(C)C,CCCC(C)(C)C(C)(C)C,"InChI=1/C10H22/c1-7-8-10(5,6)9(2,3)4/h7-8H2,1-6H3",C10H22,,,,,,RMQHJMMCLSJULX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.406,236-762-8,13477-04-8,Tribarium diarsenate,tribarium diarsenate,[Ba+2].[Ba+2].[Ba+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],[Ba+2].[Ba+2].[Ba+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],"InChI=1/2AsH3O4.3Ba/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",AsH3O4.3/2Ba,,,,,,VNMKWLWVISBKGQ-UHFFFAOYSA-H,,,,,,,,,,,
100.033.409,236-765-4,13477-19-5,Cadmium silicate,cadmium oxosilanediolate,[Cd+2].[O-][Si](=O)[O-],[Cd+2].[O-][Si](=O)[O-],InChI=1/Cd.O3Si/c;1-4(2)3/q+2;-2,Cd.H2O3Si,,,,,,NCDKOFHLJFJLTB-UHFFFAOYSA-N,,,,,,,,,,,
100.031.147,234-275-5,11050-94-5,"Oligomycin A, 28-oxo-","22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone",CCC1CCC2OC3(OC(CC(C)O)C(C)CC3=O)C(C)C(OC(=O)C=CC(C)C(O)C(C)C(=O)C(C)C(O)C(C)C(=O)C(C)(O)C(O)C(C)CC=CC=C1)C2C,CCC1CCC2OC3(OC(CC(C)O)C(C)CC3=O)C(C)C(OC(=O)C=CC(C)C(O)C(C)C(=O)C(C)C(O)C(C)C(=O)C(C)(O)C(O)C(C)CC=CC=C1)C2C,"InChI=1/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3",C45H72O12,,,,,,QPRQJOHKNJIMGN-UHFFFAOYSA-N,,,,,,,,,,,
100.031.175,234-306-2,11083-41-3,"Mercury, compound with titanium (1:3)",mercury - titanium (1:3),[Hg].[Ti].[Ti].[Ti],[Hg].[Ti].[Ti].[Ti],InChI=1/Hg.3Ti/q4*+2,Hg.Ti,,,,,,DIKKUZBQLHOPIS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.489,266-558-4,67055-68-9,Butyl 4-benzoylbenzoate,butyl 4-benzoylbenzoate,CCCCOC(=O)c1ccc(cc1)C(=O)c2ccccc2,CCCCOC(=O)c1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C18H18O3/c1-2-3-13-21-18(20)16-11-9-15(10-12-16)17(19)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3",C18H18O3,,,,,,JCRFJXHYVBFWRE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.252,260-797-8,57532-33-9,"Hydrogen 5-phenyl-2-[2-[[5-phenyl-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(4-sulphonatobutyl)benzoxazolium, compound with triethylamine (1:1)","hydrogen 4-[5-phenyl-2-(2-{[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylene}butylidene)-1,3-benzoxazol-3(2H)-yl]butane-1-sulfonate N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCCCS([O-])(=O)=O)c3ccccc3)c6ccccc6,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCCCS([O-])(=O)=O)c3ccccc3)c6ccccc6,"InChI=1/C39H40N2O8S2.C6H15N.H2/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;1-4-7(5-2)6-3;/h3-8,13-20,25-28H,2,9-12,21-24H2,1H3,(H-,42,43,44,45,46,47);4-6H2,1-3H3;1H/q;;+1/p-1",C39H40N2O8S2.C6H15N,,,,,,KMWWXXGWMXLZAP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.264,260-810-7,57562-03-5,"Diphenylmethyl [5R-(5a,6a,7ß)]-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide",diphenylmethyl 3-methoxy-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide,COC1=C(N2C(C(NC(=O)COc3ccccc3)C2=O)S(=O)C1)C(=O)OC(c4ccccc4)c5ccccc5,COC1=C(N2C(C(NC(=O)COc3ccccc3)C2=O)S(=O)C1)C(=O)OC(c4ccccc4)c5ccccc5,"InChI=1/C29H26N2O7S/c1-36-22-18-39(35)28-24(30-23(32)17-37-21-15-9-4-10-16-21)27(33)31(28)25(22)29(34)38-26(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)",C29H26N2O7S,,,,,,QQAYRTHPIWQKCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.265,260-811-2,57564-13-3,"N-[2-[(4,5-dicyano-1H-imidazol-2-yl)azo]-5-(diethylamino)phenyl]acetamide","N-{2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-5-(diethylamino)phenyl}acetamide",CCN(CC)c2ccc(N=Nc1nc(C#N)c(C#N)n1)c(NC(C)=O)c2,CCN(CC)c2ccc(N=Nc1nc(C#N)c(C#N)n1)c(NC(C)=O)c2,"InChI=1/C17H18N8O/c1-4-25(5-2)12-6-7-13(14(8-12)20-11(3)26)23-24-17-21-15(9-18)16(10-19)22-17/h6-8H,4-5H2,1-3H3,(H,20,26)(H,21,22)",C17H18N8O,,,,,,AMIQZHJEWZUYNL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.432,240-092-1,15958-61-9,1-[p-(phenylsulphonyl)anilino]anthraquinone,"1-{[4-(phenylsulfonyl)phenyl]amino}-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Nc4ccc(cc4)S(=O)(=O)c5ccccc5)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccc(cc4)S(=O)(=O)c5ccccc5)cccc13,"InChI=1/C26H17NO4S/c28-25-20-9-4-5-10-21(20)26(29)24-22(25)11-6-12-23(24)27-17-13-15-19(16-14-17)32(30,31)18-7-2-1-3-8-18/h1-16,27H",C26H17NO4S,,,,,,KENBLFRKIMERGS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.440,240-101-9,15964-80-4,Methyl 4-hydroxy-3-methoxyphenylacetate,methyl (4-hydroxy-3-methoxyphenyl)acetate,COC(=O)Cc1ccc(O)c(OC)c1,COC(=O)Cc1ccc(O)c(OC)c1,"InChI=1/C10H12O4/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5,11H,6H2,1-2H3",C10H12O4,,,,,,JJJSFAGPWHEUBT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.442,240-104-5,15965-99-8,[(hexadecyloxy)methyl]oxirane,2-[(hexadecyloxy)methyl]oxirane,CCCCCCCCCCCCCCCCOCC1CO1,CCCCCCCCCCCCCCCCOCC1CO1,"InChI=1/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-19-18-21-19/h19H,2-18H2,1H3",C19H38O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17979,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.442,YZUMRMCHAJVDRT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.443,240-105-0,15968-00-0,Dilithium phthalate,dilithium phthalate,[Li+].[Li+].[O-]C(=O)c1ccccc1C(=O)[O-],[Li+].[Li+].[O-]C(=O)c1ccccc1C(=O)[O-],"InChI=1/C8H6O4.2Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H6O4.2Li,,,,,,VNSVQJIXVXZDJF-UHFFFAOYSA-L,,,,,,,,,,,
100.036.447,240-109-2,15971-29-6,4-methoxy-1-naphthaldehyde,4-methoxy-1-naphthaldehyde,COc1ccc(C=O)c2ccccc12,COc1ccc(C=O)c2ccccc12,"InChI=1/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3",C12H10O2,,,,,,MVXMNHYVCLMLDD-UHFFFAOYSA-N,Positive,SM805801,[M+H]+,HCD35,187.0753:144.0569:159.0804,CASMI_2016,,,,,
100.036.454,240-117-6,15980-15-1,"1,4-oxathiane","1,4-oxathiane",C1CSCCO1,C1CSCCO1,InChI=1/C4H8OS/c1-3-6-4-2-5-1/h1-4H2,C4H8OS,,,,,,JBYHSSAVUBIJMK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.466,240-130-7,15991-76-1,"Tris[bis(2-ethylhexyl)dithiocarbamato-S,S']antimony","3-{[bis(2-ethylhexyl)carbamothioyl]sulfanyl}-8-ethyl-N,N,6-tris(2-ethylhexyl)-1,5-dithioxo-2,4-dithia-6-aza-3-stibadodecan-1-amine",CCCCC(CC)CN(CC(CC)CCCC)C(=S)S[Sb](SC(=S)N(CC(CC)CCCC)CC(CC)CCCC)SC(=S)N(CC(CC)CCCC)CC(CC)CCCC,CCCCC(CC)CN(CC(CC)CCCC)C(=S)S[Sb](SC(=S)N(CC(CC)CCCC)CC(CC)CCCC)SC(=S)N(CC(CC)CCCC)CC(CC)CCCC,"InChI=1/3C17H35NS2.Sb/c3*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;+3/p-3/rC51H102N3S6Sb/c1-13-25-31-43(19-7)37-52(38-44(20-8)32-26-14-2)49(55)58-61(59-50(56)53(39-45(21-9)33-27-15-3)40-46(22-10)34-28-16-4)60-51(57)54(41-47(23-11)35-29-17-5)42-48(24-12)36-30-18-6/h43-48H,13-42H2,1-12H3",C51H102N3S6Sb,,,,,,FPLFMZZKSXPSQO-UHFFFAOYSA-K,,,,,,,,,,,
100.055.082,260-608-9,57184-01-7,(pivaloyloxy)methyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride,"[(2,2-dimethylpropanoyl)oxy]methyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride",Cl.CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCOC(=O)C(C)(C)C,Cl.CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCOC(=O)C(C)(C)C,"InChI=1/C14H20N2O5S.ClH/c1-7-5-22-11-8(15)10(17)16(11)9(7)12(18)20-6-21-13(19)14(2,3)4;/h8,11H,5-6,15H2,1-4H3;1H",C14H20N2O5S.ClH,,,,,,ZNVKBPYJZVZTDZ-RWHJDYSMSA-N,,,,,,,,,,,
100.052.597,257-875-9,52364-71-3,"4'-(pentyloxy)[1,1'-biphenyl]-4-carbonitrile",4'-(pentyloxy)biphenyl-4-carbonitrile,CCCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3",C18H19NO,,,,,,RDISTOCQRJJICR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.621,257-902-4,52414-82-1,5-propylthiazole,"5-propyl-1,3-thiazole",CCCc1cncs1,CCCc1cncs1,"InChI=1/C6H9NS/c1-2-3-6-4-7-5-8-6/h4-5H,2-3H2,1H3",C6H9NS,,,,,,RGPMCMYHWAEMSM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.626,252-404-3,35154-45-1,(Z)-hex-3-enyl isovalerate,hex-3-en-1-yl 3-methylbutanoate,CC\\C=C/CCOC(=O)CC(C)C,CC\C=C/CCOC(=O)CC(C)C,"InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3",C11H20O2,,,,,,AIQLNKITFBJPFO-WAYWQWQTSA-N,,,,,,,,,,,
100.061.694,267-883-4,67952-30-1,Bis(2-hydroxypropyl)ammonium citrate,tris[2-hydroxy-N-(2-hydroxypropyl)propan-1-aminium] citrate,CC(O)C[NH2+]CC(C)O.CC(O)C[NH2+]CC(C)O.CC(O)C[NH2+]CC(C)O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC(O)C[NH2+]CC(C)O.CC(O)C[NH2+]CC(C)O.CC(O)C[NH2+]CC(C)O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/3C6H15NO2.C6H8O7/c3*1-5(8)3-7-4-6(2)9;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*5-9H,3-4H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H15NO2.xC6H8O7,,,,,,SDGULDKGOHPMAK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.695,267-885-5,67952-32-3,(2-hydroxypropyl)ammonium phosphate,tris(2-hydroxypropan-1-aminium) phosphate,CC(O)C[NH3+].CC(O)C[NH3+].CC(O)C[NH3+].[O-]P(=O)([O-])[O-],CC(O)C[NH3+].CC(O)C[NH3+].CC(O)C[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/3C3H9NO.H3O4P/c3*1-3(5)2-4;1-5(2,3)4/h3*3,5H,2,4H2,1H3;(H3,1,2,3,4)",C3H9NO.xH3O4P,,,,,,QIWKMJJKFHZUGF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.702,267-892-3,67952-39-0,p-tolyl 2-methylbutyrate,4-methylphenyl 2-methylbutanoate,CCC(C)C(=O)Oc1ccc(C)cc1,CCC(C)C(=O)Oc1ccc(C)cc1,"InChI=1/C12H16O2/c1-4-10(3)12(13)14-11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3",C12H16O2,,,,,,MZRLUHCGJZLAER-UHFFFAOYSA-N,,,,,,,,,,,
100.061.706,267-897-0,67952-43-6,Nickel dichlorate,nickel(2+) dichlorate,[Ni+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,[Ni+2].[O-]Cl(=O)=O.[O-]Cl(=O)=O,"InChI=1/2ClHO3.Ni/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",ClHO3.1/2Ni,,,,,,RZLUIDROFNIMHF-UHFFFAOYSA-L,,,,,,,,,,,
100.061.707,267-898-6,67952-44-7,2-(1-methylethoxy)ethyl (hydroxymethyl)-carbamate,2-isopropoxyethyl (hydroxymethyl)carbamate,CC(C)OCCOC(=O)NCO,CC(C)OCCOC(=O)NCO,"InChI=1/C7H15NO4/c1-6(2)11-3-4-12-7(10)8-5-9/h6,9H,3-5H2,1-2H3,(H,8,10)",C7H15NO4,,,,,,IPTFXTZKPZNVFY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.711,267-902-6,67952-49-2,2-methylheptyl acrylate,2-methylheptyl acrylate,CCCCCC(C)COC(=O)C=C,CCCCCC(C)COC(=O)C=C,"InChI=1/C11H20O2/c1-4-6-7-8-10(3)9-13-11(12)5-2/h5,10H,2,4,6-9H2,1,3H3",C11H20O2,,,,,,IJGPXKDCRJMTQS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.714,267-905-2,67952-52-7,"Methyl 5',6-bis(acryloyloxy)-4',5-dihydroxy-2',3-dimethyl[1,1'-bicyclohexyl]-2-carboxylate","methyl 5',6-bis(acryloyloxy)-4',5-dihydroxy-2',3-dimethyl-1,1'-bi(cyclohexyl)-2-carboxylate",COC(=O)C1C(C)CC(O)C(OC(=O)C=C)C1C2CC(OC(=O)C=C)C(O)CC2C,COC(=O)C1C(C)CC(O)C(OC(=O)C=C)C1C2CC(OC(=O)C=C)C(O)CC2C,"InChI=1/C22H32O8/c1-6-17(25)29-16-10-13(11(3)8-14(16)23)20-19(22(27)28-5)12(4)9-15(24)21(20)30-18(26)7-2/h6-7,11-16,19-21,23-24H,1-2,8-10H2,3-5H3",C22H32O8,,,,,,GAMZTBFTHPAOHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.721,267-913-6,67952-59-4,2-(1-methylethyl)-3-(methylthio)pyrazine,2-isopropyl-3-(methylsulfanyl)pyrazine,CSc1nccnc1C(C)C,CSc1nccnc1C(C)C,"InChI=1/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3",C8H12N2S,,,,,,MUSIVZZZFRJWGI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.722,267-914-1,67952-60-7,2-methyl-2-(methyldithio)propionaldehyde,2-methyl-2-(methyldisulfanyl)propanal,CSSC(C)(C)C=O,CSSC(C)(C)C=O,"InChI=1/C5H10OS2/c1-5(2,4-6)8-7-3/h4H,1-3H3",C5H10OS2,,,,,,VLBWEJJOETYCSE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.728,267-920-4,67952-67-4,"2,3-dihydromethoxy-1H-indene",1-methoxyindane,COC1CCc2ccccc12,COC1CCc2ccccc12,"InChI=1/C10H12O/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3",C10H12O,,,,,,OOXOWBLOFXAPBK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.730,267-923-0,67952-69-6,Nickel(2+) glycerol phosphate,nickel(2+) 2-hydroxy-1-(hydroxymethyl)ethyl phosphate,[Ni+2].OCC(CO)OP(=O)([O-])[O-],[Ni+2].OCC(CO)OP(=O)([O-])[O-],"InChI=1/C3H9O6P.Ni/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.Ni,,,,,,NLXBOYLDAPESOO-UHFFFAOYSA-L,,,,,,,,,,,
100.061.737,267-930-9,67952-94-7,N-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzylamine,"N,N-bis(2-methoxybenzyl)ethanamine",CCN(Cc1ccccc1OC)Cc2ccccc2OC,CCN(Cc1ccccc1OC)Cc2ccccc2OC,"InChI=1/C18H23NO2/c1-4-19(13-15-9-5-7-11-17(15)20-2)14-16-10-6-8-12-18(16)21-3/h5-12H,4,13-14H2,1-3H3",C18H23NO2,,,,,,YOZOQWSDVMUIEG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.837,262-541-0,60960-29-4,N-isopropyl-4-[[1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]methyl]piperazine-1-acetamide dimaleate,N-isopropyl-2-(4-{[1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]methyl}piperazin-1-yl)acetamide dibut-2-enedioate,CC(C)NC(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c4ccccc4)CC1.OC(=O)\\C=C/C(=O)O.OC(=O)\\C=C/C(=O)O,CC(C)NC(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c4ccccc4)CC1.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O,"InChI=1/C26H33N5O2.2C4H4O4/c1-20(2)27-26(33)19-30-16-14-29(15-17-30)18-25-28-22-10-6-7-11-23(22)31(25)13-12-24(32)21-8-4-3-5-9-21;2*5-3(6)1-2-4(7)8/h3-11,20H,12-19H2,1-2H3,(H,27,33);2*1-2H,(H,5,6)(H,7,8)",C26H33N5O2.2C4H4O4,,,,,,GCMHJLCMDRJGMG-SPIKMXEPSA-N,,,,,,,,,,,
100.056.581,262-258-2,60487-26-5,"2,2'-[[2-[(2-hydroxyethyl)amino]ethyl]imino]bisethanol","2,2'-({2-[(2-hydroxyethyl)amino]ethyl}imino)diethanol",OCCNCCN(CCO)CCO,OCCNCCN(CCO)CCO,"InChI=1/C8H20N2O3/c11-6-2-9-1-3-10(4-7-12)5-8-13/h9,11-13H,1-8H2",C8H20N2O3,,,,,,AJTNPTIVLIQFSR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.586,262-264-5,60494-18-0,"Dodecyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate","dodecyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosan-1-oate",CCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,"InChI=1/2C15H30O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;2*1-3-5-7-8-6-4-2;/h2*18H,2-14H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC46H92O4S2Sn/c1-5-9-13-17-21-23-25-27-29-33-39-49-45(47)37-41-51-53(43-35-31-19-15-11-7-3,44-36-32-20-16-12-8-4)52-42-38-46(48)50-40-34-30-28-26-24-22-18-14-10-6-2/h5-44H2,1-4H3",C46H92O4S2Sn,,,,,,RGUVUEVGUNGJDC-UHFFFAOYSA-L,,,,,,,,,,,
100.056.587,262-265-0,60494-19-1,"Methyl (Z,Z)-8,8-dioctyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate","methyl 8,8-dioctyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate",CCCCCCCC[Sn](CCCCCCCC)(OC(=O)\\C=C/C(=O)OC)OC(=O)\\C=C/C(=O)OC,CCCCCCCC[Sn](CCCCCCCC)(OC(=O)\C=C/C(=O)OC)OC(=O)\C=C/C(=O)OC,"InChI=1/2C8H17.2C5H6O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-9-5(8)3-2-4(6)7;/h2*1,3-8H2,2H3;2*2-3H,1H3,(H,6,7);/q;;;;+2/p-2/rC26H44O8Sn/c1-5-7-9-11-13-15-21-35(22-16-14-12-10-8-6-2,33-25(29)19-17-23(27)31-3)34-26(30)20-18-24(28)32-4/h17-20H,5-16,21-22H2,1-4H3",C26H44O8Sn,,,,,,UAYQUQDGJRIIMK-KYQHOYOTSA-L,,,,,,,,,,,
100.056.592,262-270-8,60506-81-2,"2-[[3-hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate",3-(acryloyloxy)-2-{[3-(acryloyloxy)-2-[(acryloyloxy)methyl]-2-(hydroxymethyl)propoxy]methyl}-2-[(acryloyloxy)methyl]propyl acrylate (non-preferred name),OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2",C25H32O12,,,,,,INXWLSDYDXPENO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.140,266-175-2,66142-15-2,2-methyl-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium,"3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate",Cc1oc2ccc(cc2[n+]1CCCS(=O)(=O)[O-])c3ccccc3,Cc1oc2ccc(cc2[n+]1CCCS(=O)(=O)[O-])c3ccccc3,"InChI=1/C17H17NO4S/c1-13-18(10-5-11-23(19,20)21)16-12-15(8-9-17(16)22-13)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3",C17H17NO4S,,,,,,DKMBQSTXNOURJD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.142,266-177-3,66142-19-6,4-ethoxy-2-(4-methoxyphenyl)-1-benzopyrylium hexafluorophosphate(1-),4-ethoxy-2-(4-methoxyphenyl)chromenium hexafluorophosphate,CCOc1cc([o+]c2ccccc12)c3ccc(OC)cc3.F[P-](F)(F)(F)(F)F,CCOc1cc([o+]c2ccccc12)c3ccc(OC)cc3.F[P-](F)(F)(F)(F)F,"InChI=1/C18H17O3.F6P/c1-3-20-18-12-17(13-8-10-14(19-2)11-9-13)21-16-7-5-4-6-15(16)18;1-7(2,3,4,5)6/h4-12H,3H2,1-2H3;/q+1;-1",C18H17O3.F6P,,,,,,UMMWXOASWRTVFO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.143,266-178-9,66142-20-9,4-ethoxy-2-(4-methoxyphenyl)-1-benzopyrylium methylsulphonate,4-ethoxy-2-(4-methoxyphenyl)chromenium methanesulfonate,CCOc1cc([o+]c2ccccc12)c3ccc(OC)cc3.CS(=O)(=O)[O-],CCOc1cc([o+]c2ccccc12)c3ccc(OC)cc3.CS(=O)(=O)[O-],"InChI=1/C18H17O3.CH4O3S/c1-3-20-18-12-17(13-8-10-14(19-2)11-9-13)21-16-7-5-4-6-15(16)18;1-5(2,3)4/h4-12H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C18H17O3.CH3O3S,,,,,,RLLQIXSMDRZZOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.148,266-184-1,66148-78-5,Temocillin,"6-{[carboxy(3-thienyl)acetyl]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CO[C@]1(NC(=O)C(C(=O)O)c2ccsc2)[C@H]3SC(C)(C)[C@@H](N3C1=O)C(=O)O,CO[C@]1(NC(=O)C(C(=O)O)c2ccsc2)[C@H]3SC(C)(C)[C@@H](N3C1=O)C(=O)O,"InChI=1/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)",C16H18N2O7S2,,,,,,BVCKFLJARNKCSS-DWPRYXJFSA-N,,,,,,,,,,,
100.060.157,266-194-6,66161-59-9,Bis(2-hydroxypropyl)ammonium decyl sulphate,2-hydroxy-N-(2-hydroxypropyl)propan-1-aminium decyl sulfate,CCCCCCCCCCOS(=O)(=O)[O-].CC(O)C[NH2+]CC(C)O,CCCCCCCCCCOS(=O)(=O)[O-].CC(O)C[NH2+]CC(C)O,"InChI=1/C10H22O4S.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-5(8)3-7-4-6(2)9/h2-10H2,1H3,(H,11,12,13);5-9H,3-4H2,1-2H3",C12H26O4S.C6H15NO2,,,,,,YRRFCSVNFWYWSK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.505,259-975-8,56058-70-9,"(Z)-tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan","2,2-dimethyl-5-(1-methylprop-1-en-1-yl)tetrahydrofuran",C\\C=C(\\C)/C1CCC(C)(C)O1,C\C=C(\C)/C1CCC(C)(C)O1,"InChI=1/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3",C10H18O,,,,,,LPEYLSKLVYWOEQ-YVMONPNESA-N,,,,,,,,,,,
100.054.506,259-976-3,56065-35-1,"1,1-dipropylbutyl isocyanate",4-isocyanato-4-propylheptane,CCCC(CCC)(CCC)N=C=O,CCCC(CCC)(CCC)N=C=O,"InChI=1/C11H21NO/c1-4-7-11(8-5-2,9-6-3)12-10-13/h4-9H2,1-3H3",C11H21NO,,,,,,GXJWKOQDAJVDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.179,234-310-4,11089-92-2,Tetraaluminium trichloride nonahydroxide,tetraaluminium trichloride nonahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-],InChI=1/4Al.3ClH.9H2O/h;;;;3*1H;9*1H2/q4*+3;;;;;;;;;;;;/p-12,Al4Cl3H9O9,,,,,,UZHIXXILBCHCKV-UHFFFAOYSA-B,,,,,,,,,,,
100.036.385,240-040-8,15901-40-3,"N,N',N''-tricyclohexyl-1-methylsilanetriamine","N,N',N''-tricyclohexyl-1-methylsilanetriamine",C[Si](NC1CCCCC1)(NC2CCCCC2)NC3CCCCC3,C[Si](NC1CCCCC1)(NC2CCCCC2)NC3CCCCC3,"InChI=1/C19H39N3Si/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19/h17-22H,2-16H2,1H3",C19H39N3Si,,,,,,HDNXAGOHLKHJOA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.388,240-043-4,15905-16-5,"Pyridine-2,6-dicarboxylic acid 1-oxide","pyridine-2,6-dicarboxylic acid 1-oxide",OC(=O)c1cccc(C(=O)O)[n+]1[O-],OC(=O)c1cccc(C(=O)O)[n+]1[O-],"InChI=1/C7H5NO5/c9-6(10)4-2-1-3-5(7(11)12)8(4)13/h1-3H,(H,9,10)(H,11,12)",C7H5NO5,,,,,,JWCYHGVYVDMHQT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.397,240-053-9,15910-11-9,"(1E,3E)-buta-1,3-diene-1,4-diyl diacetate","buta-1,3-diene-1,4-diyl diacetate",CC(=O)O\\C=C\\C=C\\OC(=O)C,CC(=O)O\C=C\C=C\OC(=O)C,"InChI=1/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H,1-2H3",C8H10O4,,,,,,XBRCQTOOSIDDOJ-GGWOSOGESA-N,,,,,,,,,,,
100.036.398,240-054-4,15912-68-2,6-fluoro-2-methylquinolin-4-ol,6-fluoro-2-methylquinolin-4-ol,Cc1cc(O)c2cc(F)ccc2n1,Cc1cc(O)c2cc(F)ccc2n1,"InChI=1/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)",C10H8FNO,,,,,,BKXCHVFCJZJATJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.404,240-061-2,15922-23-3,"2',3'-O-(isopropylidene)uridine 5'-acetate","1-(5-O-acetyl-2,3-O-isopropylidenepentofuranosyl)pyrimidine-2,4(1H,3H)-dione",CC(=O)OCC1OC(C2OC(C)(C)OC12)N3C=CC(=O)NC3=O,CC(=O)OCC1OC(C2OC(C)(C)OC12)N3C=CC(=O)NC3=O,"InChI=1/C14H18N2O7/c1-7(17)20-6-8-10-11(23-14(2,3)22-10)12(21-8)16-5-4-9(18)15-13(16)19/h4-5,8,10-12H,6H2,1-3H3,(H,15,18,19)",C14H18N2O7,,,,,,MDLYKUIFEHJVJD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.405,240-062-8,15922-78-8,Pyrithione sodium,sodium 2-thioxopyridin-1(2H)-olate,[Na+].[O-]N1C=CC=CC1=S,[Na+].[O-]N1C=CC=CC1=S,InChI=1/C5H4NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4H;/q-1;+1,C5H5NOS.Na,,,,,,XNRNJIIJLOFJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.408,240-065-4,15930-11-7,"Acetic acid, aluminium sodium salt",-,[Na+].[Al+3].CC(=O)[O-],[Na+].[Al+3].CC(=O)[O-],"InChI=1/C2H4O2.Al.Na/c1-2(3)4;;/h1H3,(H,3,4);;/q;+3;+1/p-1",C2H4O2.xAl.xNa,,,,,,YFIQARFDDUELFW-UHFFFAOYSA-M,,,,,,,,,,,
100.036.414,240-072-2,15933-59-2,"N-(dimethylsilyl)-1,1-dimethylsilylamine","N-(dimethylsilyl)-1,1-dimethylsilanamine",C[SiH](C)N[SiH](C)C,C[SiH](C)N[SiH](C)C,"InChI=1/C4H15NSi2/c1-6(2)5-7(3)4/h5-7H,1-4H3",C4H15NSi2,,,,,,NQCZAYQXPJEPDS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.415,240-073-8,15934-01-7,Triammonium hydrogen ethylenediaminetetraacetate,"triammonium hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[NH4+].[NH4+].[NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[NH4+].[NH4+].[NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.3H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);3*1H3/p-1",C10H16N2O8.3H3N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11562,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.415,XKWFRVVFRZYIFP-UHFFFAOYSA-M,,,,,,,,,,,
100.036.417,240-075-9,15941-82-9,1-ethyl-4-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide,"1-ethyl-4-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium iodide",[I-].CC[n+]4ccc(C=C2Sc1ccccc1N2CC)c3ccccc34,[I-].CC[n+]4ccc(C=C2Sc1ccccc1N2CC)c3ccccc34,"InChI=1/C21H21N2S.HI/c1-3-22-14-13-16(17-9-5-6-10-18(17)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C21H21N2S.I,,,,,,OVIKCIXFYVKSDD-UHFFFAOYSA-M,,,,,,,,,,,
100.036.418,240-076-4,15942-11-7,trans-2-amino-N-(4-hydroxycyclohexyl)benzamide,2-amino-N-(4-hydroxycyclohexyl)benzamide,Nc1ccccc1C(=O)NC2CCC(O)CC2,Nc1ccccc1C(=O)NC2CCC(O)CC2,"InChI=1/C13H18N2O2/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(16)8-6-9/h1-4,9-10,16H,5-8,14H2,(H,15,17)",C13H18N2O2,,,,,,RODNVULEJJJVHO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.422,240-081-1,15948-19-3,"1,3-dichloro-1,3-dimethyl-1,3-divinyldisiloxane","1,3-dichloro-1,3-dimethyl-1,3-divinyldisiloxane",C[Si](Cl)(O[Si](C)(Cl)C=C)C=C,C[Si](Cl)(O[Si](C)(Cl)C=C)C=C,"InChI=1/C6H12Cl2OSi2/c1-5-10(3,7)9-11(4,8)6-2/h5-6H,1-2H2,3-4H3",C6H12Cl2OSi2,,,,,,QNXUEHHVVZBQHD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.423,240-082-7,15949-84-5,11-bromoundecanoyl chloride,11-bromoundecanoyl chloride,ClC(=O)CCCCCCCCCCBr,ClC(=O)CCCCCCCCCCBr,InChI=1/C11H20BrClO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,C11H20BrClO,,,,,,QWHOIFRYXGBPRO-UHFFFAOYSA-N,,,,,,,,,,,
100.036.424,240-083-2,15950-66-0,"2,3,4-trichlorophenol","2,3,4-trichlorophenol",Oc1ccc(Cl)c(Cl)c1Cl,Oc1ccc(Cl)c(Cl)c1Cl,"InChI=1/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H",C6H3Cl3O,,,,,,HSQFVBWFPBKHEB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.618,251-296-5,32917-57-0,"2,5-dibromostyrene","1,4-dibromo-2-vinylbenzene",Brc1ccc(Br)c(C=C)c1,Brc1ccc(Br)c(C=C)c1,"InChI=1/C8H6Br2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2",C8H6Br2,,,,,,KWVKCGGJLLNVSC-UHFFFAOYSA-N,,,,,,,,,,,
100.055.086,260-613-6,57198-94-4,5-hydroxypentyl acrylate,5-hydroxypentyl acrylate,OCCCCCOC(=O)C=C,OCCCCCOC(=O)C=C,"InChI=1/C8H14O3/c1-2-8(10)11-7-5-3-4-6-9/h2,9H,1,3-7H2",C8H14O3,,,,,,INRQKLGGIVSJRR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.090,260-617-8,57206-83-4,Sodium bis[1-[[2-hydroxy-3-nitro-5-tert-pentylphenyl]azo]-2-naphtholato(2-)]chromate(1-),"sodium [1-{[5-(1,1-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl]diazenyl}-2-naphtholato(2-)-kappaO][1-{[5-(1,1-dimethylpropyl)-2-hydroxy-3-nitrophenyl]diazenyl}-2-naphtholato(2-)-kappaO]chromate(1-)",CCC(C)(C)c1cc(N=Nc2c(O[Cr]3Oc4ccc5ccccc5c4N=Nc6cc(cc(c6O3)N(=O)=O)C(C)(C)CC)ccc7ccccc27)c(O[Na])c(c1)N(=O)=O,CCC(C)(C)c1cc(N=Nc2c(O[Cr]3Oc4ccc5ccccc5c4N=Nc6cc(cc(c6O3)N(=O)=O)C(C)(C)CC)ccc7ccccc27)c(O[Na])c(c1)N(=O)=O,"InChI=1/2C21H21N3O4.Cr.Na/c2*1-4-21(2,3)14-11-16(20(26)17(12-14)24(27)28)22-23-19-15-8-6-5-7-13(15)9-10-18(19)25;;/h2*5-12,25-26H,4H2,1-3H3;;/q;;+3;+1/p-4/rC42H39CrN6O8.Na/c1-7-41(3,4)27-21-31(39(50)33(23-27)48(51)52)44-46-37-29-15-11-9-13-25(29)17-19-35(37)55-43-56-36-20-18-26-14-10-12-16-30(26)38(36)47-45-32-22-28(42(5,6)8-2)24-34(49(53)54)40(32)57-43;/h9-24,50H,7-8H2,1-6H3;/q;+1/p-1",C42H38CrN6O8.Na,,,,,,BOPURGSMTQZRHV-UHFFFAOYSA-J,,,,,,,,,,,
100.055.096,260-624-6,57212-63-2,Bis(pentabromophenyl) terephthalate,bis(pentabromophenyl) terephthalate,Brc1c(Br)c(Br)c(OC(=O)c2ccc(cc2)C(=O)Oc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c1Br,Brc1c(Br)c(Br)c(OC(=O)c2ccc(cc2)C(=O)Oc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c1Br,InChI=1/C20H4Br10O4/c21-7-9(23)13(27)17(14(28)10(7)24)33-19(31)5-1-2-6(4-3-5)20(32)34-18-15(29)11(25)8(22)12(26)16(18)30/h1-4H,C20H4Br10O4,,,,,,SIHNZOFIOMYDFF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.100,260-628-8,57215-96-0,Magnesium 8-aminonaphthalene-1-sulphonate,magnesium bis(8-aminonaphthalene-1-sulfonate),[Mg+2].Nc1cccc2cccc(c12)S(=O)(=O)[O-].Nc3cccc4cccc(c34)S(=O)(=O)[O-],[Mg+2].Nc1cccc2cccc(c12)S(=O)(=O)[O-].Nc3cccc4cccc(c34)S(=O)(=O)[O-],"InChI=1/2C10H9NO3S.Mg/c2*11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h2*1-6H,11H2,(H,12,13,14);/q;;+2/p-2",C10H9NO3S.1/2Mg,,,,,,RUGUJDHXRNYMLU-UHFFFAOYSA-L,,,,,,,,,,,
100.055.103,260-631-4,57218-10-7,"10-[3-[4-(2-hydroxyethyl)piperidino]propyl]-7-methoxy-N,N-dimethyl-10H-phenothiazine-2-sulphonamide","10-{3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl}-7-methoxy-N,N-dimethyl-10H-phenothiazine-2-sulfonamide",COc1ccc2N(CCCN3CCC(CCO)CC3)c4cc(ccc4Sc2c1)S(=O)(=O)N(C)C,COc1ccc2N(CCCN3CCC(CCO)CC3)c4cc(ccc4Sc2c1)S(=O)(=O)N(C)C,"InChI=1/C25H35N3O4S2/c1-26(2)34(30,31)21-6-8-24-23(18-21)28(22-7-5-20(32-3)17-25(22)33-24)13-4-12-27-14-9-19(10-15-27)11-16-29/h5-8,17-19,29H,4,9-16H2,1-3H3",C25H35N3O4S2,,,,,,NRBDOJCWXAOZLN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.119,260-649-2,57248-90-5,"Potassium hydrogen 4-amino-5-hydroxynaphthalene-1,3-disulphonate","potassium hydrogen 4-amino-5-hydroxynaphthalene-1,3-disulfonate",[K+].Nc1c(cc(c2cccc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].Nc1c(cc(c2cccc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.K/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H9NO7S2.K,,,,,,LVXBUYIUMTZNLP-UHFFFAOYSA-L,,,,,,,,,,,
100.033.410,236-767-5,13477-23-1,Cadmium sulphite,cadmium sulfite,[Cd+2].[O-]S(=O)[O-],[Cd+2].[O-]S(=O)[O-],"InChI=1/Cd.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",Cd.H2O3S,,,,,,BYJADUSHMADYRW-UHFFFAOYSA-L,,,,,,,,,,,
100.033.411,236-768-0,13477-36-6,Calcium perchlorate,calcium diperchlorate,[Ca+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Ca+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/Ca.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2",Ca.2ClHO4,,,,,,ZQAOXERLHGRFIC-UHFFFAOYSA-L,,,,,,,,,,,
100.033.420,236-778-5,13478-45-0,Niobium pentabromide,-,[Br-].[Br-].[Br-].[Br-].[Br-].[Nb+2],[Br-].[Br-].[Br-].[Br-].[Br-].[Nb+2],InChI=1/5BrH.Nb/h5*1H;/q;;;;;+2/p-5,Br5Nb,,,,,,KTPAUZQQBCXDGW-UHFFFAOYSA-I,,,,,,,,,,,
100.033.422,236-780-6,13478-50-7,Lead thiosulphate,lead(4+) bis(thiosulfate),[Pb+2].[S-]S(=O)(=O)[O-],[Pb+2].[S-]S(=O)(=O)[O-],"InChI=1/H2O3S2.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/p-2/rH2O3S2.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4/p-2",H2O3S2.Pb,,,,,,FKPGNMBJYBPNHL-UHFFFAOYSA-L,,,,,,,,,,,
100.033.432,236-791-6,13483-18-6,"1,2-bis(chloromethoxy)ethane","1,2-bis(chloromethoxy)ethane",ClCOCCOCCl,ClCOCCOCCl,InChI=1/C4H8Cl2O2/c5-3-7-1-2-8-4-6/h1-4H2,C4H8Cl2O2,,,,,,IDFLGSYEBJNWMK-UHFFFAOYSA-N,,,,,,,,,,,
100.033.434,236-793-7,13483-58-4,"N,N'-[(methylimino)bis(trimethylene)]bis(stearamide)","N,N'-[(methylimino)dipropane-3,1-diyl]dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C43H87N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-42(47)44-38-34-40-46(3)41-35-39-45-43(48)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-41H2,1-3H3,(H,44,47)(H,45,48)",C43H87N3O2,,,,,,MYCSIFBJZVHBGE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.435,236-794-2,13485-13-7,"5a,6a-epoxy-3ß-hydroxypregn-16-en-20-one","3-hydroxy-5,6-epoxypregn-16-en-20-one",CC(=O)C1=CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C,CC(=O)C1=CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C,"InChI=1/C21H30O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h4,13-14,16-18,23H,5-11H2,1-3H3",C21H30O3,,,,,,FJOFXGFQXDZWJF-XQYCTUDZSA-N,,,,,,,,,,,
100.056.844,262-548-9,60988-94-5,1-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)pent-1-en-3-one,1-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)pent-1-en-3-one,CCC(=O)C=CC2C1\\C=C/C(C1)C2C,CCC(=O)C=CC2C1\C=C/C(C1)C2C,"InChI=1/C13H18O/c1-3-12(14)6-7-13-9(2)10-4-5-11(13)8-10/h4-7,9-11,13H,3,8H2,1-2H3",C13H18O,,,,,,MSQLZRZGIRNXDS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.849,262-554-1,60998-24-5,"Trideca-2,4-dienal","trideca-2,4-dienal",CCCCCCCCC=CC=CC=O,CCCCCCCCC=CC=CC=O,"InChI=1/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-13H,2-8H2,1H3",C13H22O,,,,,,CMKUXOGSJXLFFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.869,262-576-1,61050-41-7,4-[(4-ethylphenyl)azo]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide,4-[(4-ethylphenyl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)-2-naphthamide,COc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(CC)cc3)c4O,COc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(CC)cc3)c4O,"InChI=1/C26H23N3O3/c1-3-17-8-10-20(11-9-17)28-29-24-22-7-5-4-6-18(22)16-23(25(24)30)26(31)27-19-12-14-21(32-2)15-13-19/h4-16,30H,3H2,1-2H3,(H,27,31)",C26H23N3O3,,,,,,GDCAUDDVEGSUMC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.781,251-475-8,33369-43-6,"Ethyl 5-(4-chlorobenzoyl)-a,1,4-trimethyl-1H-pyrrole-2-acetate","ethyl 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]propanoate",CCOC(=O)C(C)c1cc(C)c(C(=O)c2ccc(Cl)cc2)n1C,CCOC(=O)C(C)c1cc(C)c(C(=O)c2ccc(Cl)cc2)n1C,"InChI=1/C18H20ClNO3/c1-5-23-18(22)12(3)15-10-11(2)16(20(15)4)17(21)13-6-8-14(19)9-7-13/h6-10,12H,5H2,1-4H3",C18H20ClNO3,,,,,,GYRBPBBVYDCYPC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.788,251-483-1,33374-28-6,Butoxyethyl butyl phthalate,1-butoxyethyl butyl phthalate,CCCCOC(C)OC(=O)c1ccccc1C(=O)OCCCC,CCCCOC(C)OC(=O)c1ccccc1C(=O)OCCCC,"InChI=1/C18H26O5/c1-4-6-12-21-14(3)23-18(20)16-11-9-8-10-15(16)17(19)22-13-7-5-2/h8-11,14H,4-7,12-13H2,1-3H3",C18H26O5,,,,,,KMXFGDLUDAVGOS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.790,251-485-2,33375-06-3,R-(+)-a-methylbenzyl isocyanate,(1-isocyanatoethyl)benzene,C[C@@H](N=C=O)c1ccccc1,C[C@@H](N=C=O)c1ccccc1,"InChI=1/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3",C9H9NO,,,,,,JJSCUXAFAJEQGB-MRVPVSSYSA-N,,,,,,,,,,,
100.046.796,251-492-0,33393-97-4,[isopropylidenebis(p-phenyleneoxy)]dipropanol,"1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]dipropan-1-ol",CCC(O)Oc1ccc(cc1)C(C)(C)c2ccc(OC(O)CC)cc2,CCC(O)Oc1ccc(cc1)C(C)(C)c2ccc(OC(O)CC)cc2,"InChI=1/C21H28O4/c1-5-19(22)24-17-11-7-15(8-12-17)21(3,4)16-9-13-18(14-10-16)25-20(23)6-2/h7-14,19-20,22-23H,5-6H2,1-4H3",C21H28O4,,,,,,SRFJEIMVZGBIMC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.797,251-493-6,33396-37-1,Meproscillarin,"3-[(6-deoxy-4-O-methyl-alpha-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide",CO[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@@H]1O,CO[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@@H]1O,"InChI=1/C31H44O8/c1-17-27(36-4)25(33)26(34)28(38-17)39-20-9-12-29(2)19(15-20)6-7-23-22(29)10-13-30(3)21(11-14-31(23,30)35)18-5-8-24(32)37-16-18/h5,8,15-17,20-23,25-28,33-35H,6-7,9-14H2,1-4H3",C31H44O8,,,,,,RKWPZPDLTYBKCL-RVZGXXANSA-N,,,,,,,,,,,
100.046.799,251-495-7,33399-48-3,4-(phenylthio)pyridine,4-(phenylsulfanyl)pyridine,S(c1ccccc1)c2ccncc2,S(c1ccccc1)c2ccncc2,InChI=1/C11H9NS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H,C11H9NS,,,,,,SIXGMZJXZNKUIN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.807,251-503-9,33402-67-4,Sodium a-hydroxy-p-methoxytoluene-a-sulphonate,sodium hydroxy(4-methoxyphenyl)methanesulfonate,[Na+].COc1ccc(cc1)C(O)S(=O)(=O)[O-],[Na+].COc1ccc(cc1)C(O)S(=O)(=O)[O-],"InChI=1/C8H10O5S.Na/c1-13-7-4-2-6(3-5-7)8(9)14(10,11)12;/h2-5,8-9H,1H3,(H,10,11,12);/q;+1/p-1",C8H10O5S.Na,,,,,,DLPNNXVXJKWJTK-UHFFFAOYSA-M,,,,,,,,,,,
100.046.808,251-504-4,33403-10-0,"Dodecyl dihydrogen phosphate, potassium salt",-,[K+].CCCCCCCCCCCCOP(=O)(O)O,[K+].CCCCCCCCCCCCOP(=O)(O)O,"InChI=1/C12H27O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1",C12H27O4P.xK,,,,,,MJHORFXTDAGQEU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.809,251-506-5,33403-97-3,N-ethylpyridine-4-methylamine,N-(pyridin-4-ylmethyl)ethanamine,CCNCc1ccncc1,CCNCc1ccncc1,"InChI=1/C8H12N2/c1-2-9-7-8-3-5-10-6-4-8/h3-6,9H,2,7H2,1H3",C8H12N2,,,,,,ZBAMQLFFVBPAOX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.810,251-507-0,33404-57-8,"2,3-dihydro-2,3,3-trimethylnaphtho[1,2-b]furan-4,5-dione","2,3,3-trimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione",CC1OC2=C(C(=O)C(=O)c3ccccc23)C1(C)C,CC1OC2=C(C(=O)C(=O)c3ccccc23)C1(C)C,"InChI=1/C15H14O3/c1-8-15(2,3)11-13(17)12(16)9-6-4-5-7-10(9)14(11)18-8/h4-8H,1-3H3",C15H14O3,,,,,,WGENOABUKBFVAA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.811,251-508-6,33406-96-1,2-chloro-5-fluorotoluene,1-chloro-4-fluoro-2-methylbenzene,Cc1cc(F)ccc1Cl,Cc1cc(F)ccc1Cl,"InChI=1/C7H6ClF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3",C7H6ClF,,,,,,NIOGDCDTKPQEAT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.508,259-978-4,56073-07-5,"3-(3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin","3-(3-biphenyl-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-hydroxy-2H-chromen-2-one",OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccccc5)C(=O)Oc6ccccc16,OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccccc5)C(=O)Oc6ccccc16,"InChI=1/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2",C31H24O3,,,,,,FVQITOLOYMWVFU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.512,259-983-1,56080-92-3,Tripotassium terbium bis(phosphate),tripotassium terbium bis(phosphate),[K+].[K+].[K+].[Tb+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[K+].[K+].[K+].[Tb+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3K.2H3O4P.Tb/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);/q3*+1;;;+3/p-6",H3O4P.3/2K.1/2Tb,,,,,,VMFYABVFQSWUMK-UHFFFAOYSA-H,,,,,,,,,,,
100.054.517,259-988-9,56095-68-2,(Z)-6-methylhept-3-en-1-ol,6-methylhept-3-en-1-ol,CC(C)C\\C=C/CCO,CC(C)C\C=C/CCO,"InChI=1/C8H16O/c1-8(2)6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3",C8H16O,,,,,,ORDORPRDJRJHON-ARJAWSKDSA-N,,,,,,,,,,,
100.054.518,259-989-4,56095-71-7,(Z)-but-1-enyldiethylaluminium,but-1-en-1-yl(diethyl)aluminum,CC\\C=C/[Al](CC)CC,CC\C=C/[Al](CC)CC,"InChI=1/C4H7.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3H,4H2,2H3;2*1H2,2H3;/rC8H17Al/c1-4-7-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3",C8H17Al,,,,,,FJUIOMXPUOHENF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.519,259-991-5,56095-72-8,(Z)-dibutylhex-1-enylaluminium,dibutyl(hex-1-en-1-yl)aluminum,CCCC\\C=C/[Al](CCCC)CCCC,CCCC\C=C/[Al](CCCC)CCCC,"InChI=1/C6H11.2C4H9.Al/c1-3-5-6-4-2;2*1-3-4-2;/h1,3H,4-6H2,2H3;2*1,3-4H2,2H3;/rC14H29Al/c1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h11,14H,4-10,12-13H2,1-3H3",C14H29Al,,,,,,FDCATGDAOJTAKH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.522,259-994-1,56105-46-5,"3,7,9-trimethyldeca-1,6-dien-3-ol","3,7,9-trimethyldeca-1,6-dien-3-ol",CC(C)CC(C)=CCCC(C)(O)C=C,CC(C)CC(C)=CCCC(C)(O)C=C,"InChI=1/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3",C13H24O,,,,,,XVNDKDXSDQQJTO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.523,259-995-7,56107-02-9,4-chloro-3-nitrobenzophenone,(4-chloro-3-nitrophenyl)(phenyl)methanone,[O-][N+](=O)c1cc(ccc1Cl)C(=O)c2ccccc2,[O-][N+](=O)c1cc(ccc1Cl)C(=O)c2ccccc2,InChI=1/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,C13H8ClNO3,,,,,,YBDBYPQFIMSFJW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.529,260-001-9,56116-62-2,Calcium bis[N-(4-chlorobenzoyl)-L-tryptophanate],calcium bis{2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate},[Ca+2].[O-]C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3.[O-]C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)c6ccc(Cl)cc6,[Ca+2].[O-]C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3.[O-]C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)c6ccc(Cl)cc6,"InChI=1/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2",C18H15ClN2O3.1/2Ca,,,,,,BTTZKEFKFLGNEC-WUBQCMAVSA-L,,,,,,,,,,,
100.054.534,260-007-1,56134-96-4,Ethyl butyldithiocarbamate,ethyl butyldithiocarbamate,CCCCNC(=S)SCC,CCCCNC(=S)SCC,"InChI=1/C7H15NS2/c1-3-5-6-8-7(9)10-4-2/h3-6H2,1-2H3,(H,8,9)",C7H15NS2,,,,,,WGMRJSBTYSJRKK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.535,260-008-7,56136-13-1,"1,4-dihydroanthracene-9,10-diol","1,4-dihydroanthracene-9,10-diol",Oc1c2CC=CCc2c(O)c3ccccc13,Oc1c2CC=CCc2c(O)c3ccccc13,"InChI=1/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6,15-16H,7-8H2",C14H12O2,,,,,,XNGBCVRGPNWAGY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.542,260-016-0,56148-97-1,"4-amino-5-hydroxy-6-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid","4-amino-5-hydroxy-6-({4'-[(4-hydroxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Oc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S(O)(=O)=O)S(O)(=O)=O)c(C)c5)cc6,Oc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S(O)(=O)=O)S(O)(=O)=O)c(C)c5)cc6,"InChI=1/C36H28N8O10S2/c1-19-15-21(3-13-28(19)40-38-25-7-11-27(45)12-8-25)22-4-14-29(20(2)16-22)41-43-35-31(56(52,53)54)18-23-17-30(55(49,50)51)34(33(37)32(23)36(35)46)42-39-24-5-9-26(10-6-24)44(47)48/h3-18,45-46H,37H2,1-2H3,(H,49,50,51)(H,52,53,54)",C36H28N8O10S2,,,,,,VNZFMWKUROCPRU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.356,252-107-9,34597-40-5,Calcium (±)-bis[2-(3-phenoxyphenyl)propionate],calcium bis[2-(3-phenoxyphenyl)propanoate],CC(C(=O)O[Ca]OC(=O)C(C)c1cccc(Oc2ccccc2)c1)c3cccc(Oc4ccccc4)c3,CC(C(=O)O[Ca]OC(=O)C(C)c1cccc(Oc2ccccc2)c1)c3cccc(Oc4ccccc4)c3,"InChI=1/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2",C15H14O3.1/2Ca,,,,,,VHUXSAWXWSTUOD-UHFFFAOYSA-L,,,,,,,,,,,
100.047.371,252-124-1,34642-77-8,"Sodium [2S-[2a,5a,6ß(S*)]]-6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 6-{[amino(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O[Na],CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O[Na],"InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1",C16H19N3O5S.Na,,,,,,BYHDFCISJXIVBV-UHFFFAOYSA-M,,,,,,,,,,,
100.046.620,251-298-6,32923-88-9,3-isobutoxypropylamine,3-isobutoxypropan-1-amine,CC(C)COCCCN,CC(C)COCCCN,"InChI=1/C7H17NO/c1-7(2)6-9-5-3-4-8/h7H,3-6,8H2,1-2H3",C7H17NO,,,,,,REJGIEGOYWEWPR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.624,251-302-6,32953-14-3,"N-ethylbenzo-1,3-dioxol-5-amine","N-ethyl-1,3-benzodioxol-5-amine",CCNc1ccc2OCOc2c1,CCNc1ccc2OCOc2c1,"InChI=1/C9H11NO2/c1-2-10-7-3-4-8-9(5-7)12-6-11-8/h3-5,10H,2,6H2,1H3",C9H11NO2,,,,,,FPKGTVXPIULTIP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.750,251-441-2,33284-45-6,"1,1,1-trifluoro-5-methylheptane-2,4-dione","1,1,1-trifluoro-5-methylheptane-2,4-dione",CCC(C)C(=O)CC(=O)C(F)(F)F,CCC(C)C(=O)CC(=O)C(F)(F)F,"InChI=1/C8H11F3O2/c1-3-5(2)6(12)4-7(13)8(9,10)11/h5H,3-4H2,1-2H3",C8H11F3O2,,,,,,XQIBVFWBYJDHQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.753,251-444-9,33286-30-5,"Dipotassium dihydrogen 15a-hydroxy-2ß-[[2-O-isovaleryl-3,4-di-O-sulphonato-ß-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate","dihydrogen dipotassium 15-hydroxy-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-beta-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioate",[H+].[H+].[K+].[K+].CC(C)CC(=O)O[C@@H]5[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H](CO)O[C@H]5O[C@H]4C[C@@]2(C)[C@@H](CC[C@@]31C[C@H](CC[C@@H]12)C(=C)[C@@H]3O)[C@@](C4)(C([O-])=O)C([O-])=O,[H+].[H+].[K+].[K+].CC(C)CC(=O)O[C@@H]5[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H](CO)O[C@H]5O[C@H]4C[C@@]2(C)[C@@H](CC[C@@]31C[C@H](CC[C@@H]12)C(=C)[C@@H]3O)[C@@](C4)(C([O-])=O)C([O-])=O,"InChI=1/C31H46O18S2.2K.2H2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38;;;;/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44);;;2*1H/q;4*+1/p-4",C31H46O18S2.2K,,,,,,FPJGZZYAZUKPAD-PTLDNRCTSA-L,,,,,,,,,,,
100.046.754,251-445-4,33295-85-1,"4,5-diamino-2,4-dihydro-3-oxopyrazole sulphate","4,5-diamino-2,4-dihydro-3H-pyrazol-3-one sulfate",NC1C(=NNC1=O)N.OS(=O)(=O)O,NC1C(=NNC1=O)N.OS(=O)(=O)O,"InChI=1/C3H6N4O.H2O4S/c4-1-2(5)6-7-3(1)8;1-5(2,3)4/h1H,4H2,(H2,5,6)(H,7,8);(H2,1,2,3,4)",C3H6N4O.H2O4S,,,,,,WPNDHEHMBKGTIE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.756,251-448-0,33304-48-2,"1,4-diamino-2-(2-methoxyethoxy)anthraquinone","1,4-diamino-2-(2-methoxyethoxy)-9,10-anthraquinone",COCCOc1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,COCCOc1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C17H16N2O4/c1-22-6-7-23-12-8-11(18)13-14(15(12)19)17(21)10-5-3-2-4-9(10)16(13)20/h2-5,8H,6-7,18-19H2,1H3",C17H16N2O4,,,,,,SSIWUKJNWMCECS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.760,251-452-2,33311-76-1,"N-(2-benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide","N-(2-benzoyl-4-nitrophenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide",[O-][N+](=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(c1)C(=O)c4ccccc4,[O-][N+](=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(c1)C(=O)c4ccccc4,"InChI=1/C23H15N3O6/c27-20(13-25-22(29)16-8-4-5-9-17(16)23(25)30)24-19-11-10-15(26(31)32)12-18(19)21(28)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,27)",C23H15N3O6,,,,,,LOSQQICCFSLPSF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.764,251-456-4,33318-28-4,"[S-(R*,S*)]-a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl acetate",1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl acetate,CC(CN(C)C)C(Cc1ccccc1)(OC(=O)C)c2ccccc2,CC(CN(C)C)C(Cc1ccccc1)(OC(=O)C)c2ccccc2,"InChI=1/C21H27NO2/c1-17(16-22(3)4)21(24-18(2)23,20-13-9-6-10-14-20)15-19-11-7-5-8-12-19/h5-14,17H,15-16H2,1-4H3",C21H27NO2,,,,,,WPOZMXNNOJHTDY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.774,251-467-4,33368-36-4,Ethyl DL-threoninate hydrochloride,ethyl L-threoninate hydrochloride,Cl.CCOC(=O)[C@@H](N)C(C)O,Cl.CCOC(=O)[C@@H](N)C(C)O,"InChI=1/C6H13NO3.ClH/c1-3-10-6(9)5(7)4(2)8;/h4-5,8H,3,7H2,1-2H3;1H",C6H13NO3.ClH,,,,,,WHKKNTASOQMDMH-YKXIHYLHSA-N,,,,,,,,,,,
100.052.582,257-859-1,52337-77-6,Barium o-toluate,barium bis(2-methylbenzoate),[Ba+2].Cc1ccccc1C(=O)[O-].Cc2ccccc2C(=O)[O-],[Ba+2].Cc1ccccc1C(=O)[O-].Cc2ccccc2C(=O)[O-],"InChI=1/2C8H8O2.Ba/c2*1-6-4-2-3-5-7(6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Ba,,,,,,SKJBHRKKXLMKRL-UHFFFAOYSA-L,,,,,,,,,,,
100.052.585,257-862-8,52340-45-1,"(Z)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one",CC(=O)\\C=C/C1C(=CCCC1(C)C)C,CC(=O)\C=C/C1C(=CCCC1(C)C)C,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3",C13H20O,,,,,,UZFLPKAIBPNNCA-FPLPWBNLSA-N,,,,,,,,,,,
100.052.586,257-863-3,52341-37-4,Tetrakis(tert-dodecylthio)-p-benzoquinone,"2,3,5,6-tetrakis[(1,1,2,3,3,4,4-heptamethylpentyl)sulfanyl]-1,4-benzoquinone",CC(C(C)(C)SC1=C(SC(C)(C)C(C)C(C)(C)C(C)(C)C)C(=O)C(=C(SC(C)(C)C(C)C(C)(C)C(C)(C)C)C1=O)SC(C)(C)C(C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C,CC(C(C)(C)SC1=C(SC(C)(C)C(C)C(C)(C)C(C)(C)C)C(=O)C(=C(SC(C)(C)C(C)C(C)(C)C(C)(C)C)C1=O)SC(C)(C)C(C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C,"InChI=1/C54H100O2S4/c1-33(47(17,18)43(5,6)7)51(25,26)57-39-37(55)41(59-53(29,30)35(3)49(21,22)45(11,12)13)42(60-54(31,32)36(4)50(23,24)46(14,15)16)38(56)40(39)58-52(27,28)34(2)48(19,20)44(8,9)10/h33-36H,1-32H3",C54H100O2S4,,,,,,DNRZOSWOAZTPAE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.588,257-865-4,52348-51-3,"2,6-diisobutylphenol","2,6-diisobutylphenol",CC(C)Cc1cccc(CC(C)C)c1O,CC(C)Cc1cccc(CC(C)C)c1O,"InChI=1/C14H22O/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3",C14H22O,,,,,,JRPBSTGRRSTANR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.441,236-801-9,13487-73-5,3-chloro-1-cyclohexylpropan-1-one,3-chloro-1-cyclohexylpropan-1-one,ClCCC(=O)C1CCCCC1,ClCCC(=O)C1CCCCC1,"InChI=1/C9H15ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h8H,1-7H2",C9H15ClO,,,,,,XMGIRPAJBZYJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.443,236-804-5,13489-81-1,Sodium hydroxycyclohexanesulphonate,sodium 1-hydroxycyclohexanesulfonate,[Na+].OC1(CCCCC1)S(=O)([O-])=O,[Na+].OC1(CCCCC1)S(=O)([O-])=O,"InChI=1/C6H12O4S.Na/c7-6(11(8,9)10)4-2-1-3-5-6;/h7H,1-5H2,(H,8,9,10);/q;+1/p-1",C6H12O4S.Na,,,,,,JRZIYJSQQILHNO-UHFFFAOYSA-M,,,,,,,,,,,
100.033.444,236-805-0,13490-36-3,3-methyldodecanoic acid,3-methyldodecanoic acid,CCCCCCCCCC(C)CC(=O)O,CCCCCCCCCC(C)CC(=O)O,"InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)",C13H26O2,,,,,,KZNOWILOENIYSH-UHFFFAOYSA-N,,,,,,,,,,,
100.031.204,234-338-7,11106-47-1,p-ethyl-p'-methoxyazoxybenzene,(4-ethylphenyl)(4-methoxyphenyl)diazene oxide,CCc1ccc(cc1)N(=O)=Nc2ccc(OC)cc2,CCc1ccc(cc1)N(=O)=Nc2ccc(OC)cc2,"InChI=1/C15H16N2O2/c1-3-12-4-8-14(9-5-12)17(18)16-13-6-10-15(19-2)11-7-13/h4-11H,3H2,1-2H3",C15H16N2O2,,,,,,MCKGGSQKOSKNHA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.211,234-346-0,11113-66-9,Iron hydroxide,iron(2+) dihydroxide,[OH-].[OH-].[Fe+2],[OH-].[OH-].[Fe+2],InChI=1/Fe.2H2O/h;2*1H2/q+2;;/p-2,-,,,,,,NCNCGGDMXMBVIA-UHFFFAOYSA-L,,,,,,,,,,,
100.031.213,234-348-1,11113-74-9,Nickel hydroxide,nickel(2+) dihydroxide,[OH-].[OH-].[Ni+2],[OH-].[OH-].[Ni+2],InChI=1/Ni.2H2O/h;2*1H2/q+2;;/p-2,-,,,,,,BFDHFSHZJLFAMC-UHFFFAOYSA-L,,,,,,,,,,,
100.031.229,234-365-4,11121-16-7,"Boric acid, aluminum salt",aluminum borate,[Al+3].[O-]B([O-])[O-],[Al+3].[O-]B([O-])[O-],InChI=1/Al.BO3/c;2-1(3)4/q+3;-3,-,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/13142,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.229,OJMOMXZKOWKUTA-UHFFFAOYSA-N,,,,,,,,,,,
100.031.400,234-554-1,12010-47-8,"Bismuth, compound with indium (1:2)",-,[In].[In].[Bi],[In].[In].[Bi],InChI=1/Bi.2In/q3*+3,Bi.In,,,,,,NAPITHGDKNOMII-UHFFFAOYSA-N,,,,,,,,,,,
100.031.405,234-559-9,12010-59-2,"Bismuth, compound with thulium (1:1)",-,[Tm].[Bi],[Tm].[Bi],InChI=1/Bi.Tm/q2*+3,Bi.Tm,,,,,,USHNBMFRXHXBBS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.122,260-652-9,57260-67-0,"1-(3,4-dichlorophenyl)piperazine","1-(3,4-dichlorophenyl)piperazine",Clc1ccc(cc1Cl)N2CCNCC2,Clc1ccc(cc1Cl)N2CCNCC2,"InChI=1/C10H12Cl2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2",C10H12Cl2N2,,,,,,PXFJLKKZSWWVRX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.264,266-311-0,66308-14-3,N1-methyl-1-phenylethylenediamine,"N~1~-methyl-1-phenylethane-1,2-diamine",CNC(CN)c1ccccc1,CNC(CN)c1ccccc1,"InChI=1/C9H14N2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,7,10H2,1H3",C9H14N2,,,,,,PSWHCXOXDHWTEE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.267,266-314-7,66327-54-6,1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,CC(C)CCCC1=CCC(C)(CC1)C=O,CC(C)CCCC1=CCC(C)(CC1)C=O,"InChI=1/C14H24O/c1-12(2)5-4-6-13-7-9-14(3,11-15)10-8-13/h7,11-12H,4-6,8-10H2,1-3H3",C14H24O,,,,,,MVTYXAVPKZRAMW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.270,266-317-3,66328-96-9,Methyl glycyl-L-serinate,methyl glycyl-L-serinate,COC(=O)[C@H](CO)NC(=O)CN,COC(=O)[C@H](CO)NC(=O)CN,"InChI=1/C6H12N2O4/c1-12-6(11)4(3-9)8-5(10)2-7/h4,9H,2-3,7H2,1H3,(H,8,10)",C6H12N2O4,,,,,,IZKCPSKYPGYKRF-BYPYZUCNSA-N,,,,,,,,,,,
100.060.279,266-327-8,66353-71-7,4-(methylamino)-3-nitrophenyl phenyl ketone,[4-(methylamino)-3-nitrophenyl](phenyl)methanone,CNc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2,CNc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2,"InChI=1/C14H12N2O3/c1-15-12-8-7-11(9-13(12)16(18)19)14(17)10-5-3-2-4-6-10/h2-9,15H,1H3",C14H12N2O3,,,,,,FFJICZMWZQXOLC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.280,266-328-3,66354-56-1,1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)propan-2-ol,1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)propan-2-ol,CCCCCCCCOCC(O)CN(CCO)CCO,CCCCCCCCOCC(O)CN(CCO)CCO,"InChI=1/C15H33NO4/c1-2-3-4-5-6-7-12-20-14-15(19)13-16(8-10-17)9-11-18/h15,17-19H,2-14H2,1H3",C15H33NO4,,,,,,JORAAGBFBOAQTI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.472,236-835-4,13508-53-7,(chloromethyl)ethoxydimethylsilane,(chloromethyl)(ethoxy)dimethylsilane,CCO[Si](C)(C)CCl,CCO[Si](C)(C)CCl,"InChI=1/C5H13ClOSi/c1-4-7-8(2,3)5-6/h4-5H2,1-3H3",C5H13ClOSi,,,,,,IGMQAYXTTRYCPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.473,236-837-5,13508-63-9,(3-chloropropyl)ethoxydimethylsilane,(3-chloropropyl)(ethoxy)dimethylsilane,CCO[Si](C)(C)CCCCl,CCO[Si](C)(C)CCCCl,"InChI=1/C7H17ClOSi/c1-4-9-10(2,3)7-5-6-8/h4-7H2,1-3H3",C7H17ClOSi,,,,,,IIFBEYQLKOBDQH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.477,236-841-7,13510-44-6,Trisilver arsenate,trisilver(1+) arsenate,[Ag+].[Ag+].[Ag+].[O-][As](=O)([O-])[O-],[Ag+].[Ag+].[Ag+].[O-][As](=O)([O-])[O-],"InChI=1/3Ag.AsH3O4/c;;;2-1(3,4)5/h;;;(H3,2,3,4,5)/q3*+1;/p-3",Ag.1/3AsH3O4,,,,,,IMGNYAPMSDUASV-UHFFFAOYSA-K,,,,,,,,,,,
100.033.478,236-842-2,13510-49-1,Beryllium sulphate,beryllium sulfate,[Be+2].[O-]S(=O)(=O)[O-],[Be+2].[O-]S(=O)(=O)[O-],"InChI=1/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Be.H2O4S,,,,,,KQHXBDOEECKORE-UHFFFAOYSA-L,,,,,,,,,,,
100.046.819,251-517-5,33430-61-4,2'-deoxyguanosine 5'-(disodium phosphate),disodium 2-amino-9-(2-deoxy-5-O-phosphonatopentofuranosyl)-9H-purin-6-ol,Nc1nc(O)c2ncn(C3CC(O)C(COP(=O)(O[Na])O[Na])O3)c2n1,Nc1nc(O)c2ncn(C3CC(O)C(COP(=O)(O[Na])O[Na])O3)c2n1,"InChI=1/C10H14N5O7P.2Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);;/q;2*+1/p-2/rC10H12N5Na2O7P/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(18)5(22-6)2-21-25(20,23-16)24-17/h3-6,18H,1-2H2,(H3,11,13,14,19)",C10H14N5O7P.2Na,,,,,,CTPAMSRBXKGZCJ-UHFFFAOYSA-L,,,,,,,,,,,
100.046.822,251-520-1,33432-52-9,2-methyl-4-(3-nitrophenyl)-3-butyn-2-ol,2-methyl-4-(3-nitrophenyl)but-3-yn-2-ol,CC(C)(O)C#Cc1cccc(c1)[N+](=O)[O-],CC(C)(O)C#Cc1cccc(c1)[N+](=O)[O-],"InChI=1/C11H11NO3/c1-11(2,13)7-6-9-4-3-5-10(8-9)12(14)15/h3-5,8,13H,1-2H3",C11H11NO3,,,,,,SFSQLOPNXVVBLC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.826,251-524-3,33445-15-7,Diammonium tetrachloromercurate,diammonium tetrachloromercurate(2-),[NH4+].[NH4+].Cl[Hg-2](Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Hg-2](Cl)(Cl)Cl,"InChI=1/4ClH.Hg.2H3N/h4*1H;;2*1H3/q;;;;+2;;/p-2/rCl4Hg.2H3N/c1-5(2,3)4;;/h;2*1H3/q-2;;/p+2",Cl4Hg.2H4N,,,,,,RVPGISIWDJGAAY-UHFFFAOYSA-L,,,,,,,,,,,
100.047.630,252-409-0,35161-67-2,2-(pentylamino)ethanol,2-(pentylamino)ethanol,CCCCCNCCO,CCCCCNCCO,"InChI=1/C7H17NO/c1-2-3-4-5-8-6-7-9/h8-9H,2-7H2,1H3",C7H17NO,,,,,,SALYKAIZVOFAEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.640,252-420-0,35177-76-5,Disodium octadecyl phosphate,disodium octadecyl phosphate,[Na+].[Na+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C18H39O4P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h2-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2",C18H39O4P.2Na,,,,,,MVFPQYVAVMINHP-UHFFFAOYSA-L,,,,,,,,,,,
100.047.648,252-428-4,35200-02-3,O-isopropyl S-methyl dithiocarbonate,O-isopropyl S-methyl dithiocarbonate,CSC(=S)OC(C)C,CSC(=S)OC(C)C,"InChI=1/C5H10OS2/c1-4(2)6-5(7)8-3/h4H,1-3H3",C5H10OS2,,,,,,GNGKJKOKYSKNNW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.658,252-439-4,35206-70-3,"Copper bis(3,5,5-trimethylhexanoate)","copper(2+) bis(3,5,5-trimethylhexanoate)",[Cu+2].CC(CC(C)(C)C)CC([O-])=O.CC(C)(C)CC(C)CC([O-])=O,[Cu+2].CC(CC(C)(C)C)CC([O-])=O.CC(C)(C)CC(C)CC([O-])=O,"InChI=1/2C9H18O2.Cu/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Cu,,,,,,KLKMXKACEROVRH-UHFFFAOYSA-L,,,,,,,,,,,
100.047.659,252-441-5,35207-08-0,N-(aminocarbonyl)benzenesulphonamide,N-carbamoylbenzenesulfonamide,NC(=O)NS(=O)(=O)c1ccccc1,NC(=O)NS(=O)(=O)c1ccccc1,"InChI=1/C7H8N2O3S/c8-7(10)9-13(11,12)6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",C7H8N2O3S,,,,,,GHDLZGOOOLEJKI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.662,252-444-1,35217-21-1,Methyl 3-methoxy-2-butenoate,methyl 3-methoxybut-2-enoate,COC(=O)C=C(C)OC,COC(=O)C=C(C)OC,"InChI=1/C6H10O3/c1-5(8-2)4-6(7)9-3/h4H,1-3H3",C6H10O3,,,,,,RJSHZZLJYZOHRU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.665,252-447-8,35230-14-9,Octadecyl lactate,octadecyl 2-hydroxypropanoate,CCCCCCCCCCCCCCCCCCOC(=O)C(C)O,CCCCCCCCCCCCCCCCCCOC(=O)C(C)O,"InChI=1/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h20,22H,3-19H2,1-2H3",C21H42O3,,,,,,UKGRTCZMPQERFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.738,267-931-4,67952-95-8,"N,N'-diethyl-N-[3-(ethylamino)propyl]propane-1,3-diamine","N,N'-diethyl-N-[3-(ethylamino)propyl]propane-1,3-diamine",CCNCCCN(CC)CCCNCC,CCNCCCN(CC)CCCNCC,"InChI=1/C12H29N3/c1-4-13-9-7-11-15(6-3)12-8-10-14-5-2/h13-14H,4-12H2,1-3H3",C12H29N3,,,,,,WGMLAJNLNAEBAH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.744,267-938-2,67953-01-9,"Octacosanoic acid, compound with 1-aminopropan-2-ol (1:1)",octacosanoic acid - 1-aminopropan-2-ol (1:1),CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN,"InChI=1/C28H56O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;1-3(5)2-4/h2-27H2,1H3,(H,29,30);3,5H,2,4H2,1H3",C28H56O2.C3H9NO,,,,,,AEMZBPHGIZQYMI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.627,262-309-9,60580-61-2,Zinc 5-nitroisophthalate,zinc 5-nitroisophthalate,[Zn+2].[O-]C(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)[O-],[Zn+2].[O-]C(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)[O-],"InChI=1/C8H5NO6.Zn/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;/h1-3H,(H,10,11)(H,12,13);/q;+2/p-2",C8H5NO6.Zn,,,,,,FJVOQPCCHVJZTR-UHFFFAOYSA-L,,,,,,,,,,,
100.056.631,262-314-6,60586-80-3,Heptane-1-sulphonic acid,heptane-1-sulfonic acid,CCCCCCCS(=O)(=O)O,CCCCCCCS(=O)(=O)O,"InChI=1/C7H16O3S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3,(H,8,9,10)",C7H16O3S,,,,,,AKRQHOWXVSDJEF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.632,262-315-1,60593-02-4,2-(pentabromophenoxy)ethanol,2-(pentabromophenoxy)ethanol,OCCOc1c(Br)c(Br)c(Br)c(Br)c1Br,OCCOc1c(Br)c(Br)c(Br)c(Br)c1Br,"InChI=1/C8H5Br5O2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h14H,1-2H2",C8H5Br5O2,,,,,,ZANXWPPILUXIGV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.639,262-323-5,60607-68-3,Indenolol,1-(1H-inden-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1cccc2CC=Cc12,CC(C)NCC(O)COc1cccc2CC=Cc12,"InChI=1/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3",C15H21NO2,,,,,,MPGBPFMOOXKQRX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.641,262-325-6,60609-52-1,(E)-14-methylhexadec-8-enal,14-methylhexadec-8-enal,CCC(C)CCCC\\C=C\\CCCCCCC=O,CCC(C)CCCC\C=C\CCCCCCC=O,"InChI=1/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3",C17H32O,,,,,,HSGUJTMCFWXGAP-FNORWQNLSA-N,,,,,,,,,,,
100.047.372,252-125-7,34643-46-4,"O-(2,4-dichlorophenyl) O-ethyl S-propyl dithiophosphate","O-(2,4-dichlorophenyl) O-ethyl S-propyl dithiophosphate",CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl,CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl,"InChI=1/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3",C11H15Cl2O2PS2,,,,,,FITIWKDOCAUBQD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.378,252-132-5,34662-31-2,5-chloro-2-nitrobenzonitrile,5-chloro-2-nitrobenzonitrile,[O-][N+](=O)c1ccc(Cl)cc1C#N,[O-][N+](=O)c1ccc(Cl)cc1C#N,InChI=1/C7H3ClN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H,C7H3ClN2O2,,,,,,HPWJUEZFOUOUEO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.385,252-139-3,34681-10-2,Butocarboxim,butocarboxim,CC(SC)C(C)=NOC(=O)NC,CC(SC)C(C)=NOC(=O)NC,"InChI=1/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)",C7H14N2O2S,,,,,,SFNPDDSJBGRXLW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.600,262-279-7,60525-15-7,"(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridyl)allylamine dihydrochloride","3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine dihydrochloride",Cl.Cl.CN(C)C\\C=C(\\c1ccc(Br)cc1)/c2cccnc2,Cl.Cl.CN(C)C\C=C(\c1ccc(Br)cc1)/c2cccnc2,"InChI=1/C16H17BrN2.2ClH/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;/h3-10,12H,11H2,1-2H3;2*1H",C16H17BrN2.2ClH,,,,,,CXGURXWCQYHDIR-ULPVBNQHSA-N,,,,,,,,,,,
100.056.603,262-282-3,60533-05-3,"ß-ethylidene-6-methoxy-a,a-dimethylnaphthalene-2-propionic acid","3-(6-methoxy-2-naphthyl)-2,2-dimethylpent-3-enoic acid",OC(=O)C(C)(C)C(=CC)c1ccc2cc(ccc2c1)OC,OC(=O)C(C)(C)C(=CC)c1ccc2cc(ccc2c1)OC,"InChI=1/C18H20O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h5-11H,1-4H3,(H,19,20)",C18H20O3,,,,,,ARMLYYXIJXARED-UHFFFAOYSA-N,,,,,,,,,,,
100.056.611,262-291-2,60555-57-9,Benzyl 5-oxoprolinate,benzyl 5-oxoprolinate,O=C(OCc1ccccc1)C2CCC(=O)N2,O=C(OCc1ccccc1)C2CCC(=O)N2,"InChI=1/C12H13NO3/c14-11-7-6-10(13-11)12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)",C12H13NO3,,,,,,NVKOCDGGRHAHOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.615,262-295-4,60561-17-3,N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidyl]-N-phenylpropionamide citrate,"N-{4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]piperidin-4-yl}-N-phenylpropanamide 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C22H30N2O2S.C6H8O7/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,17H,3,11-16,18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C22H30N2O2S.C6H8O7,,,,,,OJCZPLDERGDQRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.616,262-297-5,60561-28-6,Ethyl 5-acetyl-2-benzyloxybenzoate,ethyl 5-acetyl-2-(benzyloxy)benzoate,CCOC(=O)c1cc(ccc1OCc2ccccc2)C(=O)C,CCOC(=O)c1cc(ccc1OCc2ccccc2)C(=O)C,"InChI=1/C18H18O4/c1-3-21-18(20)16-11-15(13(2)19)9-10-17(16)22-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3",C18H18O4,,,,,,XYYPNTNMOUPRLG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.617,262-298-0,60563-13-5,Ethyl 4-hydroxy-3-methoxyphenylacetate,ethyl (4-hydroxy-3-methoxyphenyl)acetate,CCOC(=O)Cc1ccc(O)c(OC)c1,CCOC(=O)Cc1ccc(O)c(OC)c1,"InChI=1/C11H14O4/c1-3-15-11(13)7-8-4-5-9(12)10(6-8)14-2/h4-6,12H,3,7H2,1-2H3",C11H14O4,,,,,,AWPMWZHWVKXADV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.619,262-301-5,60565-88-0,Bis(p-tolyl)iodonium hexafluorophosphate,bis(4-methylphenyl)iodonium hexafluorophosphate,Cc1ccc([I+]c2ccc(C)cc2)cc1.F[P-](F)(F)(F)(F)F,Cc1ccc([I+]c2ccc(C)cc2)cc1.F[P-](F)(F)(F)(F)F,"InChI=1/C14H14I.F6P/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7(2,3,4,5)6/h3-10H,1-2H3;/q+1;-1",C14H14I.F6P,,,,,,LHLVGWWCRPPKBC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.620,262-302-0,60568-05-0,"N-cyclohexyl-N-methoxy-2,5-dimethyl-3-furamide","N-cyclohexyl-N-methoxy-2,5-dimethyl-3-furamide",CON(C1CCCCC1)C(=O)c2cc(C)oc2C,CON(C1CCCCC1)C(=O)c2cc(C)oc2C,"InChI=1/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3",C14H21NO3,,,,,,QTDRLOKFLJJHTG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.263,264-109-7,63352-99-8,"(3,5-dichlorophenyl)hydrazine monohydrochloride","(3,5-dichlorophenyl)hydrazine hydrochloride",Cl.NNc1cc(Cl)cc(Cl)c1,Cl.NNc1cc(Cl)cc(Cl)c1,"InChI=1/C6H6Cl2N2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H",C6H6Cl2N2.ClH,,,,,,BDXZOJVMTJOAPS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.264,264-110-2,63353-44-6,Phenyl 4-chloro-3-oxobutyrate,phenyl 4-chloro-3-oxobutanoate,ClCC(=O)CC(=O)Oc1ccccc1,ClCC(=O)CC(=O)Oc1ccccc1,"InChI=1/C10H9ClO3/c11-7-8(12)6-10(13)14-9-4-2-1-3-5-9/h1-5H,6-7H2",C10H9ClO3,,,,,,RMNCNUDRSVATNM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.171,266-209-6,66168-54-5,"3-(2,3-dihydroxypropoxy)-2-hydroxypropyl stearate","3-(2,3-dihydroxypropoxy)-2-hydroxypropyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(O)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(O)CO,"InChI=1/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-23(27)20-29-19-22(26)18-25/h22-23,25-27H,2-21H2,1H3",C24H48O6,,,,,,DUUKZBGYNMHUHO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.176,266-214-3,66172-65-4,Aluminum magnesium chloride hydroxide,Aluminum magnesium chloride hydroxide,[OH-].[Mg+2].[Al+3].[Cl-],[OH-].[Mg+2].[Al+3].[Cl-],InChI=1/Al.ClH.Mg.H2O/h;1H;;1H2/q+3;;+2;/p-2,-,,,,,,HFNSDMREIYZNFB-UHFFFAOYSA-L,,,,,,,,,,,
100.052.598,257-876-4,52364-72-4,"4'-(heptyloxy)[1,1'-biphenyl]-4-carbonitrile",4'-(heptyloxy)biphenyl-4-carbonitrile,CCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3",C20H23NO,,,,,,JPBFKTCKZLMJED-UHFFFAOYSA-N,,,,,,,,,,,
100.052.607,257-886-9,52373-91-8,"1-amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile","1-amino-4-(butylamino)-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile",CCCCNc1c(C#N)c(C#N)c(N)c2C(=O)c3ccccc3C(=O)c12,CCCCNc1c(C#N)c(C#N)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H16N4O2/c1-2-3-8-24-18-14(10-22)13(9-21)17(23)15-16(18)20(26)12-7-5-4-6-11(12)19(15)25/h4-7,24H,2-3,8,23H2,1H3",C20H16N4O2,,,,,,AVXVHLZKHDDRRM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.608,257-887-4,52373-93-0,"1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile","1-amino-4-(ethylamino)-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile",CCNc1c(C#N)c(C#N)c(N)c2C(=O)c3ccccc3C(=O)c12,CCNc1c(C#N)c(C#N)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H12N4O2/c1-2-22-16-12(8-20)11(7-19)15(21)13-14(16)18(24)10-6-4-3-5-9(10)17(13)23/h3-6,22H,2,21H2,1H3",C18H12N4O2,,,,,,SHLWDQRKKVHJIM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.609,257-889-5,52378-40-2,1-cyano-2-methyl-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]isothiourea,methyl N-cyano-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)imidothiocarbamate,CS\\C(=N/CCSCc1nc[nH]c1C)\\NC#N,CS\C(=N/CCSCc1nc[nH]c1C)\NC#N,"InChI=1/C10H15N5S2/c1-8-9(15-7-14-8)5-17-4-3-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)",C10H15N5S2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7129,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.609,WSUNDBVVUCLXTG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.625,252-403-8,35153-21-0,(E)-tetradec-12-enyl acetate,tetradec-12-en-1-yl acetate,C\\C=C\\CCCCCCCCCCCOC(=O)C,C\C=C\CCCCCCCCCCCOC(=O)C,"InChI=1/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4H,5-15H2,1-2H3",C16H30O2,,,,,,CRJBZFQLVNBSHX-ONEGZZNKSA-N,,,,,,,,,,,
100.061.700,267-890-2,67952-37-8,2-methylbutyl undec-10-enoate,2-methylbutyl undec-10-enoate,CCC(C)COC(=O)CCCCCCCCC=C,CCC(C)COC(=O)CCCCCCCCC=C,"InChI=1/C16H30O2/c1-4-6-7-8-9-10-11-12-13-16(17)18-14-15(3)5-2/h4,15H,1,5-14H2,2-3H3",C16H30O2,,,,,,RPJHMIFIFIFHAY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.715,267-906-8,67952-53-8,Cobalt(2+) methacrylate,cobalt(2+) bis(2-methylacrylate),[Co+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Co+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Co/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Co,,,,,,DKRNQQHUMHYWSA-UHFFFAOYSA-L,,,,,,,,,,,
100.061.716,267-907-3,67952-54-9,"3,7,8-trimethylnona-3,7-dienenitrile","3,7,8-trimethylnona-3,7-dienenitrile",C/C(C)=C(/C)CCC=C(C)CC#N,C/C(C)=C(/C)CCC=C(C)CC#N,"InChI=1/C12H19N/c1-10(2)12(4)7-5-6-11(3)8-9-13/h6H,5,7-8H2,1-4H3",C12H19N,,,,,,HBSCQFFTLCILMW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.718,267-909-4,67952-56-1,"Isopropyl 4-(1,1-dimethylethyl)benzoate",isopropyl 4-tert-butylbenzoate,CC(C)OC(=O)c1ccc(cc1)C(C)(C)C,CC(C)OC(=O)c1ccc(cc1)C(C)(C)C,"InChI=1/C14H20O2/c1-10(2)16-13(15)11-6-8-12(9-7-11)14(3,4)5/h6-10H,1-5H3",C14H20O2,,,,,,RTUBKODHZNPRDT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.719,267-911-5,67952-57-2,"1,5-dimethylhexyl acetate","1,5-dimethylhexyl acetate",CC(C)CCCC(C)OC(=O)C,CC(C)CCCC(C)OC(=O)C,"InChI=1/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,JNRDWRMJYGDQQE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.720,267-912-0,67952-58-3,"Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-6(5H)-one","1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-6(5H)-one",CC1(C)C2CCC3(C2)C1CCC(=O)C3(C)C,CC1(C)C2CCC3(C2)C1CCC(=O)C3(C)C,"InChI=1/C15H24O/c1-13(2)10-7-8-15(9-10)11(13)5-6-12(16)14(15,3)4/h10-11H,5-9H2,1-4H3",C15H24O,,,,,,NILGFRKAXFZEPN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.723,267-915-7,67952-61-8,1-bromoundec-2-ene,1-bromoundec-2-ene,BrCC=CCCCCCCCC,BrCC=CCCCCCCCC,"InChI=1/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10H,2-8,11H2,1H3",C11H21Br,,,,,,WQPPYGIJSDTEIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.725,267-917-8,67952-64-1,1-[2-[(2-hydroxyethyl)anilino]ethyl] hydrogen 2-dodecenylsuccinate,3-[(2-{[2-(2-hydroxyethyl)phenyl]amino}ethoxy)carbonyl]pentadec-5-enoate,[O-]C(=O)CC(CC=CCCCCCCCCC)C(=O)OCCNc1ccccc1CCO,[O-]C(=O)CC(CC=CCCCCCCCCC)C(=O)OCCNc1ccccc1CCO,"InChI=1/C26H41NO5/c1-2-3-4-5-6-7-8-9-10-11-15-23(21-25(29)30)26(31)32-20-18-27-24-16-13-12-14-22(24)17-19-28/h10-14,16,23,27-28H,2-9,15,17-21H2,1H3,(H,29,30)/p-1",C26H41NO5,,,,,,KCRQLRXFRVJYOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.056.834,262-537-9,60958-23-8,(E)-2-methoxy-4-(1-propenyl)phenyl isovalerate,2-methoxy-4-prop-1-en-1-ylphenyl 3-methylbutanoate,COc1cc(\\C=C\\C)ccc1OC(=O)CC(C)C,COc1cc(\C=C\C)ccc1OC(=O)CC(C)C,"InChI=1/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5-8,10-11H,9H2,1-4H3",C15H20O3,,,,,,JNVPTYXMIALTSY-AATRIKPKSA-N,,,,,,,,,,,
100.056.838,262-542-6,60965-26-6,"2-bromo-1-(2,4-dimethoxyphenyl)ethan-1-one","2-bromo-1-(2,4-dimethoxyphenyl)ethanone",COc1ccc(C(=O)CBr)c(OC)c1,COc1ccc(C(=O)CBr)c(OC)c1,"InChI=1/C10H11BrO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3",C10H11BrO3,,,,,,PKVBZABQCCQHLD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.484,236-849-0,13512-59-9,4-nitrophenyl O-benzyl-N-[(tert-butoxy)carbonyl]-L-tyrosinate,4-nitrophenyl O-benzyl-N-(tert-butoxycarbonyl)-L-tyrosinate,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc3ccc(cc3)[N+](=O)[O-],CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc3ccc(cc3)[N+](=O)[O-],"InChI=1/C27H28N2O7/c1-27(2,3)36-26(31)28-24(25(30)35-23-15-11-21(12-16-23)29(32)33)17-19-9-13-22(14-10-19)34-18-20-7-5-4-6-8-20/h4-16,24H,17-18H2,1-3H3,(H,28,31)",C27H28N2O7,,,,,,VTUXNRKFFGSUAE-DEOSSOPVSA-N,,,,,,,,,,,
100.033.485,236-850-6,13513-82-1,2-methoxy-alpha-methylbenzyl alcohol,1-(2-methoxyphenyl)ethanol,COc1ccccc1C(C)O,COc1ccccc1C(C)O,"InChI=1/C9H12O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7,10H,1-2H3",C9H12O2,,,,,,DHHGVIOVURMJEA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.488,236-853-2,13515-93-0,Methyl N-methylaminoacetate hydrochloride,methyl N-methylglycinate hydrochloride,Cl.CNCC(=O)OC,Cl.CNCC(=O)OC,"InChI=1/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H",C4H9NO2.ClH,,,,,,HQZMRJBVCVYVQA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.499,236-865-8,13522-14-0,"3ß-hydroxy-2ß,16ß-dipiperidino-5-a-androstan-17-one","3-hydroxy-2,16-dipiperidin-1-ylandrostan-17-one",CC12CC(C(O)CC1CCC3C2CCC4(C)C3CC(N5CCCCC5)C4=O)N6CCCCC6,CC12CC(C(O)CC1CCC3C2CCC4(C)C3CC(N5CCCCC5)C4=O)N6CCCCC6,"InChI=1/C29H48N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-26,32H,3-19H2,1-2H3",C29H48N2O2,,,,,,KUCISTFXMDQUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.083,236-407-7,13356-08-6,Bis(tris(2-methyl-2-phenylpropyl)tin) oxide,hexakis(2-methyl-2-phenylpropyl)distannoxane,CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6,CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6,"InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60(11,12)54-41-29-18-30-42-54/h13-42H,43-48H2,1-12H3",C60H78OSn2,,,,,,HOXINJBQVZWYGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.084,236-408-2,13356-20-2,Hydroxyoctyloxostannane,octyl(oxo)stannanol,CCCCCCCC[Sn](=O)O,CCCCCCCC[Sn](=O)O,"InChI=1/C8H17.H2O.O.Sn/c1-3-5-7-8-6-4-2;;;/h1,3-8H2,2H3;1H2;;/q;;;+1/p-1/rC8H18O2Sn/c1-2-3-4-5-6-7-8-11(9)10/h9H,2-8H2,1H3",C8H18O2Sn,,,,,,PTEQOGYHCSJZIZ-UHFFFAOYSA-M,,,,,,,,,,,
100.033.087,236-411-9,13360-45-7,Chlorbromuron,3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea,CON(C)C(=O)Nc1ccc(Br)c(Cl)c1,CON(C)C(=O)Nc1ccc(Br)c(Cl)c1,"InChI=1/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",C9H10BrClN2O2,,,,,,NLYNUTMZTCLNOO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.101,236-427-6,13361-64-3,Trimethyl-2-propynylsilane,"(1,1-dimethylbut-2-yn-1-yl)silane",CC#CC(C)(C)[SiH3],CC#CC(C)(C)[SiH3],"InChI=1/C6H12Si/c1-4-5-6(2,3)7/h1-3,7H3",C6H12Si,,,,,,DFZKOLVAIZFIJP-UHFFFAOYSA-N,,,,,,,,,,,
100.033.105,236-431-8,13362-77-1,Nicotinaldehyde (3-pyridylmethylene)hydrazone,"3,3'-(hydrazine-1,2-diylidenedimethylylidene)dipyridine",N(/N=Cc1cccnc1)=C\\c2cccnc2,N(/N=Cc1cccnc1)=C\c2cccnc2,InChI=1/C12H10N4/c1-3-11(7-13-5-1)9-15-16-10-12-4-2-6-14-8-12/h1-10H,C12H10N4,,,,,,OOXNKQISMJMZRH-RMASCIKSSA-N,,,,,,,,,,,
100.033.106,236-432-3,13362-78-2,"trans-4,4'-vinylenedipyridine","4,4'-ethene-1,2-diyldipyridine",C(=Cc1ccncc1)c2ccncc2,C(=Cc1ccncc1)c2ccncc2,InChI=1/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H,C12H10N2,,,,,,MGFJDEHFNMWYBD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.107,236-433-9,13364-16-4,2-methylpentylamine,2-methylpentan-1-amine,CCCC(C)CN,CCCC(C)CN,"InChI=1/C6H15N/c1-3-4-6(2)5-7/h6H,3-5,7H2,1-2H3",C6H15N,,,,,,WNDXRJBYZOSNQO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.110,236-437-0,13368-45-1,Bis(dimethylamino)methylvinylsilane,"N,N,N',N'-tetramethyl-1-(vinylsilyl)methanediamine",CN(C)C([SiH2]C=C)N(C)C,CN(C)C([SiH2]C=C)N(C)C,"InChI=1/C7H18N2Si/c1-6-10-7(8(2)3)9(4)5/h6-7H,1,10H2,2-5H3",C7H18N2Si,,,,,,JMDFGGJQZUPENI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.114,236-441-2,13370-79-1,2-pyridylformaldehyde semicarbazone,pyridine-2-carbaldehyde semicarbazone,NC(=O)N\\N=C\\c1ccccn1,NC(=O)N\N=C\c1ccccn1,"InChI=1/C7H8N4O/c8-7(12)11-10-5-6-3-1-2-4-9-6/h1-5H,(H3,8,11,12)",C7H8N4O,,,,,,IOVVDRDEXYHYNT-BJMVGYQFSA-N,,,,,,,,,,,
100.033.115,236-442-8,13370-80-4,Nicotinaldehyde semicarbazone,nicotinaldehyde semicarbazone,NC(=O)N\\N=C\\c1cccnc1,NC(=O)N\N=C\c1cccnc1,"InChI=1/C7H8N4O/c8-7(12)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12)",C7H8N4O,,,,,,HQOXNAZTHRZSNQ-BJMVGYQFSA-N,,,,,,,,,,,
100.033.117,236-444-9,13371-73-8,2-(cyclohexylphenylamino)ethanol,2-[cyclohexyl(phenyl)amino]ethanol,OCCN(C1CCCCC1)c2ccccc2,OCCN(C1CCCCC1)c2ccccc2,"InChI=1/C14H21NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2",C14H21NO,,,,,,JAKIBWZPJXEMRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.123,236-451-7,13375-29-6,(dicyclopropylmethyl)amine,"1,1-dicyclopropylmethanamine",NC(C1CC1)C2CC2,NC(C1CC1)C2CC2,"InChI=1/C7H13N/c8-7(5-1-2-5)6-3-4-6/h5-7H,1-4,8H2",C7H13N,,,,,,GDGUATCKWWKTLM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.644,262-328-2,60613-06-1,Lithium anthranilate,lithium 2-aminobenzoate,[Li+].Nc1ccccc1C(=O)[O-],[Li+].Nc1ccccc1C(=O)[O-],"InChI=1/C7H7NO2.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",C7H7NO2.Li,,,,,,LYPDAJMEKQFULB-UHFFFAOYSA-M,,,,,,,,,,,
100.056.650,262-335-0,60628-17-3,Diphenyl tridecyl phosphite,diphenyl tridecyl phosphite,CCCCCCCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,CCCCCCCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,"InChI=1/C25H37O3P/c1-2-3-4-5-6-7-8-9-10-11-18-23-26-29(27-24-19-14-12-15-20-24)28-25-21-16-13-17-22-25/h12-17,19-22H,2-11,18,23H2,1H3",C25H37O3P,,,,,,OGVJEUDMQQIAPV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.656,262-341-3,60642-68-4,Bis(2-mercaptoethyl) glutarate,bis(2-sulfanylethyl) glutarate,SCCOC(=O)CCCC(=O)OCCS,SCCOC(=O)CCCC(=O)OCCS,"InChI=1/C9H16O4S2/c10-8(12-4-6-14)2-1-3-9(11)13-5-7-15/h14-15H,1-7H2",C9H16O4S2,,,,,,UDUCJYFINGFFDE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.513,264-383-8,63657-12-5,"2-hydroxy-1,3-propanediyl bis(mercaptoacetate)","2-hydroxypropane-1,3-diyl bis(sulfanylacetate)",OC(COC(=O)CS)COC(=O)CS,OC(COC(=O)CS)COC(=O)CS,"InChI=1/C7H12O5S2/c8-5(1-11-6(9)3-13)2-12-7(10)4-14/h5,8,13-14H,1-4H2",C7H12O5S2,,,,,,OGQPUWXIKANIBH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.520,264-391-1,63663-21-8,"(S)-N,N'-dibutyl-2-[(1-oxododecyl)amino]glutaramide","N~1~,N~5~-dibutyl-N~2~-dodecanoyl-L-glutamamide",CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC)C(=O)NCCCC,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC)C(=O)NCCCC,"InChI=1/C25H49N3O3/c1-4-7-10-11-12-13-14-15-16-17-24(30)28-22(25(31)27-21-9-6-3)18-19-23(29)26-20-8-5-2/h22H,4-21H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)",C25H49N3O3,,,,,,QIVRABJQTNPYAI-QFIPXVFZSA-N,,,,,,,,,,,
100.058.521,264-392-7,63665-74-7,"Methyl 7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylate","methyl 7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate",COC(=O)c1nc2nc(C)cc(O)n2n1,COC(=O)c1nc2nc(C)cc(O)n2n1,"InChI=1/C8H8N4O3/c1-4-3-5(13)12-8(9-4)10-6(11-12)7(14)15-2/h3,13H,1-2H3",C8H8N4O3,,,,,,QBIFTLPEPZNVMA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.523,264-394-8,63665-81-6,"1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate","1-methyl-2-[3-(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-2-phenylprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.C[n+]5c6c7ccccc7ccc6sc5C=C(C=C3Sc2ccc1ccccc1c2N3C)c4ccccc4,[O-]S(=O)(=O)c1ccc(C)cc1.C[n+]5c6c7ccccc7ccc6sc5C=C(C=C3Sc2ccc1ccccc1c2N3C)c4ccccc4,"InChI=1/C33H25N2S2.C7H8O3S/c1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31;1-6-2-4-7(5-3-6)11(8,9)10/h3-21H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C33H25N2S2.C7H7O3S,,,,,,FQEAOMQUSANKRE-UHFFFAOYSA-M,,,,,,,,,,,
100.058.527,264-399-5,63665-92-9,"Ethyl 3-[(2,4-dichlorophenyl)amino]-3-[2-(2,4,6-trichlorophenyl)hydrazino]acrylate","ethyl 3-[(2,4-dichlorophenyl)amino]-3-[2-(2,4,6-trichlorophenyl)hydrazino]acrylate",CCOC(=O)\\C=C(/NNc1c(Cl)cc(Cl)cc1Cl)\\Nc2ccc(Cl)cc2Cl,CCOC(=O)\C=C(/NNc1c(Cl)cc(Cl)cc1Cl)\Nc2ccc(Cl)cc2Cl,"InChI=1/C17H14Cl5N3O2/c1-2-27-16(26)8-15(23-14-4-3-9(18)5-11(14)20)24-25-17-12(21)6-10(19)7-13(17)22/h3-8,23-25H,2H2,1H3",C17H14Cl5N3O2,,,,,,XAGJZZOIBJUNOJ-NVNXTCNLSA-N,,,,,,,,,,,
100.058.529,264-401-4,63666-09-1,"N,N'-dimethylquinoxaline-2,3-diamine","N,N'-dimethylquinoxaline-2,3-diamine",CNc1nc2ccccc2nc1NC,CNc1nc2ccccc2nc1NC,"InChI=1/C10H12N4/c1-11-9-10(12-2)14-8-6-4-3-5-7(8)13-9/h3-6H,1-2H3,(H,11,13)(H,12,14)",C10H12N4,,,,,,PJKZXJODXLEDOH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.539,264-412-4,63684-32-2,"3,3'-dithiobis(3-phenylpropionic) acid","3,3'-disulfanediylbis(3-phenylpropanoic acid)",OC(=O)CC(SSC(CC(=O)O)c1ccccc1)c2ccccc2,OC(=O)CC(SSC(CC(=O)O)c1ccccc1)c2ccccc2,"InChI=1/C18H18O4S2/c19-17(20)11-15(13-7-3-1-4-8-13)23-24-16(12-18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)",C18H18O4S2,,,,,,QEUYTFJIJXIVLP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.540,264-414-5,63684-99-1,"1-(m,p-dichlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione","1-(3,4-dichlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione",Clc1ccc(cc1Cl)N2NN=NC2=S,Clc1ccc(cc1Cl)N2NN=NC2=S,"InChI=1/C7H4Cl2N4S/c8-5-2-1-4(3-6(5)9)13-7(14)10-11-12-13/h1-3H,(H,10,12,14)",C7H4Cl2N4S,,,,,,CAFFRONNGPFZKV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.543,264-417-1,63697-00-7,Isopropyl S-(-)-lactate,isopropyl 2-hydroxypropanoate,CC(C)OC(=O)C(C)O,CC(C)OC(=O)C(C)O,"InChI=1/C6H12O3/c1-4(2)9-6(8)5(3)7/h4-5,7H,1-3H3",C6H12O3,,,,,,KIWATKANDHUUOB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.836,251-535-3,33467-79-7,"(2E,4E)-hepta-2,4-dien-1-ol","hepta-2,4-dien-1-ol",CC\\C=C\\C=C\\CO,CC\C=C\C=C\CO,"InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3",C7H12O,,,,,,MDRZSADXFOPYOC-VNKDHWASSA-N,,,,,,,,,,,
100.046.837,251-536-9,33468-15-4,(Z)-1-[1-chloro-2-(4-ethoxyphenyl)vinyl]-4-octylbenzene,1-[1-chloro-2-(4-ethoxyphenyl)vinyl]-4-octylbenzene,CCCCCCCCc1ccc(cc1)\\C(=C\\c2ccc(OCC)cc2)\\Cl,CCCCCCCCc1ccc(cc1)\C(=C\c2ccc(OCC)cc2)\Cl,"InChI=1/C24H31ClO/c1-3-5-6-7-8-9-10-20-11-15-22(16-12-20)24(25)19-21-13-17-23(18-14-21)26-4-2/h11-19H,3-10H2,1-2H3",C24H31ClO,,,,,,GSDUCZGRMDRJKE-CLCOLTQESA-N,,,,,,,,,,,
100.060.183,266-222-7,66180-22-1,"5-methyl-3,8-dinitro-6-phenylphenanthridinium bromide","5-methyl-3,8-dinitro-6-phenylphenanthridinium bromide",[Br-].C[n+]1c(c2ccccc2)c3cc(ccc3c4ccc(cc14)[N+](=O)[O-])[N+](=O)[O-],[Br-].C[n+]1c(c2ccccc2)c3cc(ccc3c4ccc(cc14)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C20H14N3O4.BrH/c1-21-19-12-15(23(26)27)8-10-17(19)16-9-7-14(22(24)25)11-18(16)20(21)13-5-3-2-4-6-13;/h2-12H,1H3;1H/q+1;/p-1",C20H14N3O4.Br,,,,,,YHGYPGBNXLEMLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.187,266-226-9,66183-71-9,Ethyl 5-oxo-DL-prolinate,ethyl 5-oxo-L-prolinate,CCOC(=O)[C@@H]1CCC(=O)N1,CCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)",C7H11NO3,,,,,,QYJOOVQLTTVTJY-YFKPBYRVSA-N,,,,,,,,,,,
100.060.192,266-232-1,66197-79-3,"Trisodium 2,2',2''-nitrilotriethyl triphosphate",-,[Na+].[Na+].[Na+].[O-]P(=O)([O-])OCCN(CCOP(=O)([O-])[O-])CCOP(=O)([O-])[O-],[Na+].[Na+].[Na+].[O-]P(=O)([O-])OCCN(CCOP(=O)([O-])[O-])CCOP(=O)([O-])[O-],"InChI=1/C6H18NO12P3.3Na/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16;;;/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-6",C6H18NO12P3.3Na,,,,,,MWIBOTNHGPNIQL-UHFFFAOYSA-H,,,,,,,,,,,
100.060.194,266-234-2,66203-94-9,Murocainide,"1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea",CNC(=O)Nc1c(OC)c2ccoc2c(OC)c1OCCN3CCCCC3,CNC(=O)Nc1c(OC)c2ccoc2c(OC)c1OCCN3CCCCC3,"InChI=1/C19H27N3O5/c1-20-19(23)21-14-15(24-2)13-7-11-26-16(13)18(25-3)17(14)27-12-10-22-8-5-4-6-9-22/h7,11H,4-6,8-10,12H2,1-3H3,(H2,20,21,23)",C19H27N3O5,,,,,,ZXISMUFCWBYFTO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.195,266-235-8,66204-44-2,"3,3'-methylenebis[5-methyloxazolidine]","3,3'-methylenebis(5-methyl-1,3-oxazolidine)",CC1CN(CN2COC(C)C2)CO1,CC1CN(CN2COC(C)C2)CO1,"InChI=1/C9H18N2O2/c1-8-3-10(6-12-8)5-11-4-9(2)13-7-11/h8-9H,3-7H2,1-2H3",C9H18N2O2,,,,,,BNKGKERDFRIJPU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.201,266-242-6,66214-41-3,"N,N'-(9,10-dihydro-9,10-dioxoanthracene-2,6-diyl)dibenzimidoyl dichloride","N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,6-diyl)dibenzenecarboximidoyl chloride",ClC(=Nc2ccc3C(=O)c1cc(ccc1C(=O)c3c2)N=C(Cl)c4ccccc4)c5ccccc5,ClC(=Nc2ccc3C(=O)c1cc(ccc1C(=O)c3c2)N=C(Cl)c4ccccc4)c5ccccc5,InChI=1/C28H16Cl2N2O2/c29-27(17-7-3-1-4-8-17)31-19-11-13-21-23(15-19)25(33)22-14-12-20(16-24(22)26(21)34)32-28(30)18-9-5-2-6-10-18/h1-16H,C28H16Cl2N2O2,,,,,,SXMJAAZDNXOTAM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.204,266-245-2,66214-46-8,Sodium 4-[[4-[(2-nitrophenyl)amino]phenyl]azo]benzenesulphonate,sodium 4-({4-[(2-nitrophenyl)amino]phenyl}diazenyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3[N+]([O-])=O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3[N+]([O-])=O,"InChI=1/C18H14N4O5S.Na/c23-22(24)18-4-2-1-3-17(18)19-13-5-7-14(8-6-13)20-21-15-9-11-16(12-10-15)28(25,26)27;/h1-12,19H,(H,25,26,27);/q;+1/p-1",C18H14N4O5S.Na,,,,,,PYIAQEDVAJVCGA-UHFFFAOYSA-M,,,,,,,,,,,
100.060.206,266-247-3,66214-48-0,Sodium 3-[[4-[(4-ethoxyphenyl)azo]-3-methoxyphenyl]azo]benzenesulphonate,sodium 3-({4-[(4-ethoxyphenyl)diazenyl]-3-methoxyphenyl}diazenyl)benzenesulfonate,[Na+].COc2cc(ccc2N=Nc1ccc(OCC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,[Na+].COc2cc(ccc2N=Nc1ccc(OCC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,"InChI=1/C21H20N4O5S.Na/c1-3-30-18-10-7-15(8-11-18)22-25-20-12-9-17(14-21(20)29-2)24-23-16-5-4-6-19(13-16)31(26,27)28;/h4-14H,3H2,1-2H3,(H,26,27,28);/q;+1/p-1",C21H20N4O5S.Na,,,,,,ZXMBXUGIZDIZBF-UHFFFAOYSA-M,,,,,,,,,,,
100.054.550,260-024-4,56151-64-5,"[1R(1a,4aß,4ba,10aa)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carbonyl chloride","abieta-7,13-dien-18-oyl chloride",CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)Cl)C2CC1,CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)Cl)C2CC1,"InChI=1/C20H29ClO/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3",C20H29ClO,,,,,,DUUZGQPIIHHAPA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.551,260-026-5,56158-58-8,"2-(hydroxymethyl)-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate",3-(heptanoyloxy)-2-[(heptanoyloxy)methyl]-2-(hydroxymethyl)propyl heptanoate (non-preferred name),CCCCCCC(=O)OCC(CO)(COC(=O)CCCCCC)COC(=O)CCCCCC,CCCCCCC(=O)OCC(CO)(COC(=O)CCCCCC)COC(=O)CCCCCC,"InChI=1/C26H48O7/c1-4-7-10-13-16-23(28)31-20-26(19-27,21-32-24(29)17-14-11-8-5-2)22-33-25(30)18-15-12-9-6-3/h27H,4-22H2,1-3H3",C26H48O7,,,,,,BXKGEHTYSZRXRV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.557,260-032-8,56181-63-6,[1-(biphenyl-4-yl)-2-phenylethyl]malonic acid,(1-biphenyl-4-yl-2-phenylethyl)malonic acid,OC(=O)C(C(Cc1ccccc1)c2ccc(cc2)c3ccccc3)C(=O)O,OC(=O)C(C(Cc1ccccc1)c2ccc(cc2)c3ccccc3)C(=O)O,"InChI=1/C23H20O4/c24-22(25)21(23(26)27)20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20-21H,15H2,(H,24,25)(H,26,27)",C23H20O4,,,,,,QUFVZWVTYPOLSK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.561,260-037-5,56181-75-0,"N-[(1-acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitro-2-quinolyl)methyl]-N-(1-methylethyl)acetamide","N-[(1-acetyl-6-methyl-5-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]-N-isopropylacetamide",CC(C)N(CC1CCc2c(ccc(C)c2[N+](=O)[O-])N1C(=O)C)C(=O)C,CC(C)N(CC1CCc2c(ccc(C)c2[N+](=O)[O-])N1C(=O)C)C(=O)C,"InChI=1/C18H25N3O4/c1-11(2)19(13(4)22)10-15-7-8-16-17(20(15)14(5)23)9-6-12(3)18(16)21(24)25/h6,9,11,15H,7-8,10H2,1-5H3",C18H25N3O4,,,,,,DBLZDMNSPRGMCP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.564,260-040-1,56187-37-2,"3,5-dichloro-4-oxo-4H-pyridine-1-acetic acid","(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetic acid",OC(=O)CN1C=C(Cl)C(=O)C(=C1)Cl,OC(=O)CN1C=C(Cl)C(=O)C(=C1)Cl,"InChI=1/C7H5Cl2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)",C7H5Cl2NO3,,,,,,MFMXEEQESUEMSB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.842,262-546-8,60984-57-8,"N,N'-(dithiodi-2,1-ethanediyl)bis(acrylamide)","N,N'-(disulfanediyldiethane-2,1-diyl)bisacrylamide",C=CC(=O)NCCSSCCNC(=O)C=C,C=CC(=O)NCCSSCCNC(=O)C=C,"InChI=1/C10H16N2O2S2/c1-3-9(13)11-5-7-15-16-8-6-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)",C10H16N2O2S2,,,,,,DJVKJGIZQFBFGS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.843,262-547-3,60984-93-2,"4-(2,2-dichloro-1,1-difluoroethoxy)aniline","4-(2,2-dichloro-1,1-difluoroethoxy)aniline",Nc1ccc(OC(F)(F)C(Cl)Cl)cc1,Nc1ccc(OC(F)(F)C(Cl)Cl)cc1,"InChI=1/C8H7Cl2F2NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2",C8H7Cl2F2NO,,,,,,MQJBOCAFCBRKTK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.845,262-549-4,60990-88-7,"(8a,9R)-1'-benzyl-9-hydroxy-6'-methoxycinchonanium chloride","1'-benzyl-6'-methoxy-1',2'-dihydrocinchonan-1-ium-9-ol chloride",[Cl-].COc1ccc2N(Cc3ccccc3)CC=C([C@@H](O)[C@@H]4C[C@@H]5CC[N@H+]4C[C@@H]5C=C)c2c1,[Cl-].COc1ccc2N(Cc3ccccc3)CC=C([C@@H](O)[C@@H]4C[C@@H]5CC[N@H+]4C[C@@H]5C=C)c2c1,"InChI=1/C27H32N2O2.ClH/c1-3-20-18-29-13-11-21(20)15-26(29)27(30)23-12-14-28(17-19-7-5-4-6-8-19)25-10-9-22(31-2)16-24(23)25;/h3-10,12,16,20-21,26-27,30H,1,11,13-15,17-18H2,2H3;1H",C27H31N2O2.Cl,,,,,,IZXATUUQLBEIJR-PWMYKVQHSA-N,,,,,,,,,,,
100.056.851,262-556-2,61007-67-8,"Guanidine, compound with 4,4'-isopropylidenebis[2,6-dibromophenol] (2:1)","guanidine - 4,4'-propane-2,2-diylbis(2,6-dibromophenol) (2:1)",CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2.NC(=N)N.NC(=N)N,CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2.NC(=N)N.NC(=N)N,"InChI=1/C15H12Br4O2.2CH5N3/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;2*2-1(3)4/h3-6,20-21H,1-2H3;2*(H5,2,3,4)",C15H12Br4O2.2CH5N3,,,,,,LBTKSSJRLOXGSV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.856,262-562-5,61020-15-3,Sodium 3-[(2-cyanoethyl)thio]propanesulphonate,sodium 3-[(2-cyanoethyl)sulfanyl]propane-1-sulfonate,[Na+].[O-]S(=O)(=O)CCCSCCC#N,[Na+].[O-]S(=O)(=O)CCCSCCC#N,"InChI=1/C6H11NO3S2.Na/c7-3-1-4-11-5-2-6-12(8,9)10;/h1-2,4-6H2,(H,8,9,10);/q;+1/p-1",C6H11NO3S2.Na,,,,,,OGVXQSYXEREMAN-UHFFFAOYSA-M,,,,,,,,,,,
100.056.867,262-574-0,61050-17-7,"N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)azo]naphthalene-2-carboxamide","N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)diazenyl]-2-naphthamide",COc4ccc(cc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(OC)cc2)c3O)OC,COc4ccc(cc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(OC)cc2)c3O)OC,"InChI=1/C26H23N3O5/c1-32-18-10-8-17(9-11-18)28-29-24-20-7-5-4-6-16(20)14-21(25(24)30)26(31)27-22-15-19(33-2)12-13-23(22)34-3/h4-15,30H,1-3H3,(H,27,31)",C26H23N3O5,,,,,,SHSVLNIISPYNHX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.782,251-476-3,33369-45-8,"3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid","2-(carboxymethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid",Cc1cn(C)c(CC(=O)O)c1C(=O)O,Cc1cn(C)c(CC(=O)O)c1C(=O)O,"InChI=1/C9H11NO4/c1-5-4-10(2)6(3-7(11)12)8(5)9(13)14/h4H,3H2,1-2H3,(H,11,12)(H,13,14)",C9H11NO4,,,,,,FASPXTNRUAOAGU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.783,251-477-9,33369-46-9,"Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate","2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid",CCOC(=O)Cc1c(C(=O)O)c(C)cn1C,CCOC(=O)Cc1c(C(=O)O)c(C)cn1C,"InChI=1/C11H15NO4/c1-4-16-9(13)5-8-10(11(14)15)7(2)6-12(8)3/h6H,4-5H2,1-3H3,(H,14,15)",C11H15NO4,,,,,,YVNJDVHARWCERO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.785,251-480-5,33369-52-7,Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate,methyl [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate,COC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C,COC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C,"InChI=1/C16H17NO3/c1-11-4-6-12(7-5-11)16(19)14-9-8-13(17(14)2)10-15(18)20-3/h4-9H,10H2,1-3H3",C16H17NO3,,,,,,SIXINSDWVSIFEY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.789,251-484-7,33374-34-4,Bis(pentabromophenyl) carbonate,bis(pentabromophenyl) carbonate,Brc1c(Br)c(Br)c(OC(=O)Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(OC(=O)Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,InChI=1/C13Br10O3/c14-1-3(16)7(20)11(8(21)4(1)17)25-13(24)26-12-9(22)5(18)2(15)6(19)10(12)23,C13Br10O3,,,,,,GLMRCTIBJCEHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.795,251-491-5,33390-80-6,2-(2-methoxyphenyl)acetamide,2-(2-methoxyphenyl)acetamide,COc1ccccc1CC(=O)N,COc1ccccc1CC(=O)N,"InChI=1/C9H11NO2/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)",C9H11NO2,,,,,,QHOOQLXZKWMYCC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.802,251-498-3,33400-49-6,"N6-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine","N~6~-(4-fluorobenzyl)-3-nitropyridine-2,6-diamine",Nc1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-],Nc1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-],"InChI=1/C12H11FN4O2/c13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11/h1-6H,7H2,(H3,14,15,16)",C12H11FN4O2,,,,,,ZVCIIRBNNSUNCH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.805,251-501-8,33401-94-4,Pyrantel hydrogen tartrate,"1-methyl-2-[2-(2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine 2,3-dihydroxysuccinate (salt)",OC(=O)C(O)C(O)C(O)=O.CN2CCC\\N=C2\\C=Cc1cccs1,OC(=O)C(O)C(O)C(O)=O.CN2CCC\N=C2\C=Cc1cccs1,"InChI=1/C11H14N2S.C4H6O6/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;5-1(3(7)8)2(6)4(9)10/h2,4-6,9H,3,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C11H14N2S.C4H6O6,,,,,,VWRCYAZJKNPEQR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.813,251-510-7,33421-39-5,2-phenylnicotinic acid,2-phenylnicotinic acid,OC(=O)c1cccnc1c2ccccc2,OC(=O)c1cccnc1c2ccccc2,"InChI=1/C12H9NO2/c14-12(15)10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H,(H,14,15)",C12H9NO2,,,,,,VLQVAEFYIADOKI-UHFFFAOYSA-N,,,,,,,,,,,
100.034.625,238-105-0,14235-72-4,"Tris(acetaldehyde) O,O',O''-(methylsilylidyne)trioxime","acetaldehyde O,O',O''-(methylsilanetriyl)oxime",CC=NO[Si](C)(ON=CC)ON=CC,CC=NO[Si](C)(ON=CC)ON=CC,"InChI=1/C7H15N3O3Si/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-7H,1-4H3",C7H15N3O3Si,,,,,,FBNDBWOVSKZHDU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.438,234-596-0,12014-29-8,"Antimony, compound with cadmium (2:3)",-,[Cd].[Cd].[Cd].[Sb].[Sb],[Cd].[Cd].[Cd].[Sb].[Sb],InChI=1/3Cd.2Sb/q3*+2;2*+3,Cd.Sb,,,,,,GPCFLCJOIBCSAR-UHFFFAOYSA-N,,,,,,,,,,,
100.031.441,234-599-7,12014-56-1,Cerium tetrahydroxide,-,[OH-].[OH-].[OH-].[OH-].[Ce+3],[OH-].[OH-].[OH-].[OH-].[Ce+3],InChI=1/Ce.4H2O/h;4*1H2/q+3;;;;/p-4,CeH4O4,,,,,,CYHJHZRTJFAJAR-UHFFFAOYSA-J,,,,,,,,,,,
100.036.485,240-151-1,16013-85-7,"2,6-dichloro-3-nitropyridine","2,6-dichloro-3-nitropyridine",[O-][N+](=O)c1ccc(Cl)nc1Cl,[O-][N+](=O)c1ccc(Cl)nc1Cl,InChI=1/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,C5H2Cl2N2O2,,,,,,SHCWQWRTKPNTEM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.486,240-152-7,16014-23-6,3-hydroxy-4-[(4-methyl-2-sulphophenyl)azo]-2-naphthoic acid,3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]-2-naphthoic acid,OS(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C(O)=O)c1O,OS(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C(O)=O)c1O,"InChI=1/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)",C18H14N2O6S,,,,,,JYNBEDVXQNFTOX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.487,240-153-2,16015-69-3,1-[3-(trifluoromethyl)phenyl]piperazinium chloride,1-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride,[Cl-].FC(F)(F)c1cccc(c1)[NH+]2CCNCC2,[Cl-].FC(F)(F)c1cccc(c1)[NH+]2CCNCC2,"InChI=1/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H",C11H13F3N2.ClH,,,,,,DGNLGWJZZZOYPT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.488,240-154-8,16015-71-7,N-(3-methoxyphenyl)piperazine,1-(3-methoxyphenyl)piperazine,COc1cccc(c1)N2CCNCC2,COc1cccc(c1)N2CCNCC2,"InChI=1/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3",C11H16N2O,,,,,,PZIBVWUXWNYTNL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.489,240-155-3,16016-41-4,Diisopentyl tartrate,bis(3-methylbutyl) tartarate,CC(C)CCOC(=O)C(O)C(O)C(=O)OCCC(C)C,CC(C)CCOC(=O)C(O)C(O)C(=O)OCCC(C)C,"InChI=1/C14H26O6/c1-9(2)5-7-19-13(17)11(15)12(16)14(18)20-8-6-10(3)4/h9-12,15-16H,5-8H2,1-4H3",C14H26O6,,,,,,VOBHVQRBBHSZAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.496,240-163-7,16024-66-1,"2,5,8,11,14-pentaoxahexadecan-16-oic acid","2,5,8,11,14-pentaoxahexadecan-16-oic acid",COCCOCCOCCOCCOCC(=O)O,COCCOCCOCCOCCOCC(=O)O,"InChI=1/C11H22O7/c1-14-2-3-15-4-5-16-6-7-17-8-9-18-10-11(12)13/h2-10H2,1H3,(H,12,13)",C11H22O7,,,,,,DDTZAHIJJCRGFT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.498,240-165-8,16025-99-3,1-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide,"1-ethyl-2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium iodide",[I-].CC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2CC,"InChI=1/C21H21N2S.HI/c1-3-22-17(14-13-16-9-5-6-10-18(16)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C21H21N2S.I,,,,,,UUIVFFWYLLXVKC-UHFFFAOYSA-M,,,,,,,,,,,
100.037.752,241-544-0,17575-20-1,Lanatoside A,"3-{[beta-D-glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)OC5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)OC5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5,"InChI=1/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3",C49H76O19,,,,,,YFGQJKBUXPKSAW-XBBQASNWSA-N,,,,,,,,,,,
100.037.753,241-545-6,17575-21-2,Lanatoside B,"3-{[beta-D-glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)OC5CC[C@@]6(C)C(CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H](C(O)CC78O)C9=CC(=O)OC9)C5,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)OC5CC[C@@]6(C)C(CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H](C(O)CC78O)C9=CC(=O)OC9)C5,"InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3",C49H76O20,,,,,,XVAPNQFQPDAROQ-SFGUTKSQSA-N,,,,,,,,,,,
100.037.755,241-547-7,17576-35-1,"1,3,3-trimethoxypropene","1,3,3-trimethoxyprop-1-ene",COC=CC(OC)OC,COC=CC(OC)OC,"InChI=1/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3",C6H12O3,,,,,,JGVSIZVWGGQMPY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.850,251-551-0,33513-44-9,"Disodium 4-formylbenzene-1,3-disulphonate","disodium 4-formylbenzene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(C=O)c(c1)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc(C=O)c(c1)S(=O)(=O)[O-],"InChI=1/C7H6O7S2.2Na/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;/h1-4H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",C7H6O7S2.2Na,,,,,,UUKHCUPMVISNFW-UHFFFAOYSA-L,,,,,,,,,,,
100.046.858,251-559-4,33522-69-9,"4,6,6-trimethylbicyclo[3.1.1.]hept-3-en-2-yl acetate","4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate",CC(=O)OC1C=C(C)C2CC1C2(C)C,CC(=O)OC1C=C(C)C2CC1C2(C)C,"InChI=1/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3",C12H18O2,,,,,,OZBFUQLOVFXDNK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.859,251-561-5,33522-95-1,"(5a)-4,5-epoxy-3,14-dihydroxymorphinan-6-one","3,14-dihydroxy-4,5-epoxymorphinan-6-one",Oc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,Oc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2",C16H17NO4,,,,,,HLMSIZPQBSYUNL-IPOQPSJVSA-N,,,,,,,,,,,
100.046.861,251-563-6,33524-89-9,"2,4-diacetyl-3-oxoglutaric anhydride","4,4'-(oxydicarbonyl)bis(2-acetyl-3,5-dioxohexanoic acid)",CC(=O)C(C(=O)O)C(=O)C(C(=O)C)C(=O)OC(=O)C(C(=O)C)C(=O)C(C(=O)C)C(=O)O,CC(=O)C(C(=O)O)C(=O)C(C(=O)C)C(=O)OC(=O)C(C(=O)C)C(=O)C(C(=O)C)C(=O)O,"InChI=1/C18H18O13/c1-5(19)9(15(25)26)13(23)11(7(3)21)17(29)31-18(30)12(8(4)22)14(24)10(6(2)20)16(27)28/h9-12H,1-4H3,(H,25,26)(H,27,28)",C9H8O6,,,,,,DFOQJMGYZIWJOW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.863,251-565-7,33529-02-1,1-decyl-1H-imidazole,1-decyl-1H-imidazole,CCCCCCCCCCn1ccnc1,CCCCCCCCCCn1ccnc1,"InChI=1/C13H24N2/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15/h10,12-13H,2-9,11H2,1H3",C13H24N2,,,,,,PEPIOVUNFZBCIB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.865,251-567-8,33538-10-2,2-(isopropyl)isonicotinonitrile,2-isopropylisonicotinonitrile,CC(C)c1cc(ccn1)C#N,CC(C)c1cc(ccn1)C#N,"InChI=1/C9H10N2/c1-7(2)9-5-8(6-10)3-4-11-9/h3-5,7H,1-2H3",C9H10N2,,,,,,HSDPZZMLYGAUFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.870,251-573-0,33563-62-1,3-chlorodihydro-5-methylfuran-2(3H)-one,3-chloro-5-methyldihydrofuran-2(3H)-one,CC1CC(Cl)C(=O)O1,CC1CC(Cl)C(=O)O1,"InChI=1/C5H7ClO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3",C5H7ClO2,,,,,,RQQWSVYYNYGIOF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.871,251-574-6,33564-30-6,Sodium (6R-cis)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)[O-])COC(=O)N,[Na+].CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)[O-])COC(=O)N,"InChI=1/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1",C16H17N3O7S2.Na,,,,,,GNWUOVJNSFPWDD-KUARMEPBSA-M,,,,,,,,,,,
100.059.974,265-991-6,65983-31-5,"2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]ethyl acrylate","2-(3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yloxy)ethyl acrylate",C=CC(=O)OCCOC1CC2CC1C3CC=CC23,C=CC(=O)OCCOC1CC2CC1C3CC=CC23,"InChI=1/C15H20O3/c1-2-15(16)18-7-6-17-14-9-10-8-13(14)12-5-3-4-11(10)12/h2-4,10-14H,1,5-9H2",C15H20O3,,,,,,RSVDRWTUCMTKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.259,267-405-4,67859-58-9,"2-mercaptoethyl 3,5,5-trimethylhexanoate","2-sulfanylethyl 3,5,5-trimethylhexanoate",CC(CC(=O)OCCS)CC(C)(C)C,CC(CC(=O)OCCS)CC(C)(C)C,"InChI=1/C11H22O2S/c1-9(8-11(2,3)4)7-10(12)13-5-6-14/h9,14H,5-8H2,1-4H3",C11H22O2S,,,,,,HCIZFLGIBDLOLH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.661,262-347-6,60644-91-9,"5,6,7,8-tetrabromo-2-(3-hydroxyquinolin-2-yl)-1H-benz[f]indene-1,3(2H)-dione","5,6,7,8-tetrabromo-2-(3-hydroxyquinolin-2-yl)-1H-cyclopenta[b]naphthalene-1,3(2H)-dione",Oc1cc2ccccc2nc1C3C(=O)c4cc5c(Br)c(Br)c(Br)c(Br)c5cc4C3=O,Oc1cc2ccccc2nc1C3C(=O)c4cc5c(Br)c(Br)c(Br)c(Br)c5cc4C3=O,"InChI=1/C22H9Br4NO3/c23-16-9-6-11-12(7-10(9)17(24)19(26)18(16)25)22(30)15(21(11)29)20-14(28)5-8-3-1-2-4-13(8)27-20/h1-7,15,28H",C22H9Br4NO3,,,,,,XQJAONCBMFGBCC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.673,262-360-7,60665-85-2,"2,4,6,8-tetramethyl-2,4,6,8-tetrakis[3-(oxiranylmethoxy)propyl]cyclotetrasiloxane","2,4,6,8-tetramethyl-2,4,6,8-tetrakis[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(CCCOCC2CO2)O[Si](C)(CCCOCC3CO3)O[Si](C)(CCCOCC4CO4)O[Si](C)(CCCOCC5CO5)O1,C[Si]1(CCCOCC2CO2)O[Si](C)(CCCOCC3CO3)O[Si](C)(CCCOCC4CO4)O[Si](C)(CCCOCC5CO5)O1,"InChI=1/C28H56O12Si4/c1-41(13-5-9-29-17-25-21-33-25)37-42(2,14-6-10-30-18-26-22-34-26)39-44(4,16-8-12-32-20-28-24-36-28)40-43(3,38-41)15-7-11-31-19-27-23-35-27/h25-28H,5-24H2,1-4H3",C28H56O12Si4,,,,,,BLZDTVROPKIJLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.676,262-363-3,60669-22-9,Triphenylundecylphosphonium bromide,triphenyl(undecyl)phosphonium bromide,[Br-].CCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C29H38P.BrH/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29;/h10-18,20-25H,2-9,19,26H2,1H3;1H/q+1;/p-1",C29H38P.Br,,,,,,AELWOFMTABHNQJ-UHFFFAOYSA-M,,,,,,,,,,,
100.054.565,260-041-7,56187-89-4,Ximoprofen,2-{4-[3-(hydroxyimino)cyclohexyl]phenyl}propanoic acid,ON=C1CC(CCC1)c2ccc(cc2)C(C)C(O)=O,ON=C1CC(CCC1)c2ccc(cc2)C(C)C(O)=O,"InChI=1/C15H19NO3/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-19/h5-8,10,13,19H,2-4,9H2,1H3,(H,17,18)",C15H19NO3,,,,,,IQPPOXSMSDPZKU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.566,260-042-2,56187-92-9,"2-(1,1-dimethylethyl)-4-(1-methyl-1-phenylethyl)phenol",2-tert-butyl-4-(1-methyl-1-phenylethyl)phenol,CC(C)(C)c1cc(ccc1O)C(C)(C)c2ccccc2,CC(C)(C)c1cc(ccc1O)C(C)(C)c2ccccc2,"InChI=1/C19H24O/c1-18(2,3)16-13-15(11-12-17(16)20)19(4,5)14-9-7-6-8-10-14/h6-13,20H,1-5H3",C19H24O,,,,,,UYHCLPYFSWPVDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.576,260-053-2,56207-39-7,"3,6-dinitro-o-toluidine","2-methyl-3,6-dinitroaniline",Cc1c(N)c(ccc1[N+](=O)[O-])[N+](=O)[O-],Cc1c(N)c(ccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H7N3O4/c1-4-5(9(11)12)2-3-6(7(4)8)10(13)14/h2-3H,8H2,1H3",C7H7N3O4,,,,,,VVZWLLMSXCXIRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.582,260-060-0,56209-45-1,"cis-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one","5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate",COc1ccc(cc1)[C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)C,COc1ccc(cc1)[C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)C,"InChI=1/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3",C22H26N2O4S,,,,,,HSUGRBWQSSZJOP-LEWJYISDSA-N,,,,,,,,,,,
100.054.583,260-061-6,56211-60-0,Potassium titanium fluoride,-,[F-].[K+].[Ti+2],[F-].[K+].[Ti+2],InChI=1/FH.K.Ti/h1H;;/q;+1;+2/p-1,-,,,,,,IIUREQRVGJFDLV-UHFFFAOYSA-M,,,,,,,,,,,
100.047.398,252-154-5,34689-46-8,Sodium cresolate,sodium 2-methylphenolate,[Na+].Cc1ccccc1[O-],[Na+].Cc1ccccc1[O-],"InChI=1/C7H8O.Na/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H3;/q;+1/p-1",C7H8O.Na,,,,,,ONFAAMBUOAGWSG-UHFFFAOYSA-M,,,,,,,,,,,
100.047.400,252-156-6,34690-00-1,[[(phosphonomethyl)imino]bis[hexamethylenenitrilobis(methylene)]]tetrakisphosphonic acid,[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic acid,OP(=O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)",C17H44N3O15P5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5780,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.400,YWMWZKYVGNWJPU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.405,252-161-3,34708-08-2,Triethoxy(3-thiocyanatopropyl)silane,3-(triethoxysilyl)propyl thiocyanate,CCO[Si](CCCSC#N)(OCC)OCC,CCO[Si](CCCSC#N)(OCC)OCC,"InChI=1/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3",C10H21NO3SSi,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13524,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.405,HKMVWLQFAYGKSI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.408,252-165-5,34715-60-1,2-(p-isobutylphenyl)propionyl chloride,2-(4-isobutylphenyl)propanoyl chloride,CC(C)Cc1ccc(cc1)C(C)C(=O)Cl,CC(C)Cc1ccc(cc1)C(C)C(=O)Cl,"InChI=1/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3",C13H17ClO,,,,,,QXVRLFIKHYCFJS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.413,252-170-2,34725-61-6,"Bromophenol blue, sodium salt","sodium 3,5-dibromo-4-[3-(2,6-dibromo-4-hydroxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]phenolate",Oc1cc(Br)c(c(Br)c1)C2(OS(=O)(=O)c3ccccc23)c4c(Br)cc(O[Na])cc4Br,Oc1cc(Br)c(c(Br)c1)C2(OS(=O)(=O)c3ccccc23)c4c(Br)cc(O[Na])cc4Br,"InChI=1/C19H10Br4O5S.Na/c20-12-5-9(24)6-13(21)17(12)19(18-14(22)7-10(25)8-15(18)23)11-3-1-2-4-16(11)29(26,27)28-19;/h1-8,24-25H;/q;+1/p-1",C19H10Br4O5S.Na,,,,,,KGANHHDZDYZJEM-UHFFFAOYSA-M,,,,,,,,,,,
100.047.414,252-171-8,34729-16-3,Titanium(4+) hexadecan-1-olate,titanium(4+) tetrahexadecan-1-olate,[Ti+4].CCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCC[O-],[Ti+4].CCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCC[O-].CCCCCCCCCCCCCCCC[O-],"InChI=1/4C16H33O.Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;/h4*2-16H2,1H3;/q4*-1;+4",C16H34O.1/4Ti,,,,,,POIQBFKLCVMSME-UHFFFAOYSA-N,,,,,,,,,,,
100.047.416,252-173-9,34730-59-1,Sodium 2-[(2-aminoethyl)amino]ethanesulphonate,sodium 2-[(2-aminoethyl)amino]ethanesulfonate,[Na+].NCCNCCS(=O)(=O)[O-],[Na+].NCCNCCS(=O)(=O)[O-],"InChI=1/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1",C4H12N2O3S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12821,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.416,VRRABDXZDGRGPC-UHFFFAOYSA-M,,,,,,,,,,,
100.047.418,252-176-5,34737-89-8,1-benzyl-3-methyl-4-piperidone,1-benzyl-3-methylpiperidin-4-one,CC1CN(Cc2ccccc2)CCC1=O,CC1CN(Cc2ccccc2)CCC1=O,"InChI=1/C13H17NO/c1-11-9-14(8-7-13(11)15)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3",C13H17NO,,,,,,OVQAJYCAXPHYNV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.419,252-177-0,34740-13-1,Profexalone,"2-oxo-5-phenyl-N-propyl-1,3-oxazolidine-3-carboxamide",CCCNC(=O)N1CC(OC1=O)c2ccccc2,CCCNC(=O)N1CC(OC1=O)c2ccccc2,"InChI=1/C13H16N2O3/c1-2-8-14-12(16)15-9-11(18-13(15)17)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,16)",C13H16N2O3,,,,,,AUVLZBKTWSCAIM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.816,251-513-3,33425-50-2,1-decyl-3-methylindan,1-decyl-3-methylindane,CCCCCCCCCCC1CC(C)c2ccccc12,CCCCCCCCCCC1CC(C)c2ccccc12,"InChI=1/C20H32/c1-3-4-5-6-7-8-9-10-13-18-16-17(2)19-14-11-12-15-20(18)19/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3",C20H32,,,,,,RTYGVBRBJCTRMM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.818,251-515-4,33426-70-9,p-(pentyloxy)toluene,1-methyl-4-(pentyloxy)benzene,CCCCCOc1ccc(C)cc1,CCCCCOc1ccc(C)cc1,"InChI=1/C12H18O/c1-3-4-5-10-13-12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3",C12H18O,,,,,,QWSTVRJDZCXFKN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.821,251-519-6,33432-08-5,"4-(benzoylamino)-5-hydroxy-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1,7-disulphonic acid","4-(benzoylamino)-5-hydroxy-6-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-1,7-disulfonic acid",OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc4c(cc3c(ccc(NC(=O)c2ccccc2)c3c4O)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc4c(cc3c(ccc(NC(=O)c2ccccc2)c3c4O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C25H21N3O14S4/c29-24-22-18(20(44(33,34)35)11-10-19(22)26-25(30)15-4-2-1-3-5-15)14-21(45(36,37)38)23(24)28-27-16-6-8-17(9-7-16)43(31,32)13-12-42-46(39,40)41/h1-11,14,29H,12-13H2,(H,26,30)(H,33,34,35)(H,36,37,38)(H,39,40,41)",C25H21N3O14S4,,,,,,RSAJRSTYJBDQBB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.823,251-521-7,33433-82-8,Calcium 2-propylvalerate,calcium bis(2-propylpentanoate),[Ca+2].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-],[Ca+2].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-],"InChI=1/2C8H16O2.Ca/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ca,,,,,,PIZHURYFCSGTJX-UHFFFAOYSA-L,,,,,,,,,,,
100.046.825,251-523-8,33439-45-1,"3-(3-chloro-4-(chlorodifluoromethyl)thiophenyl)-1,1-dimethylurea","3-(3-chloro-4-{[chloro(difluoro)methyl]sulfanyl}phenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1ccc(SC(F)(F)Cl)c(Cl)c1,CN(C)C(=O)Nc1ccc(SC(F)(F)Cl)c(Cl)c1,"InChI=1/C10H10Cl2F2N2OS/c1-16(2)9(17)15-6-3-4-8(7(11)5-6)18-10(12,13)14/h3-5H,1-2H3,(H,15,17)",C10H10Cl2F2N2OS,,,,,,YFEUKKUPOVGUIW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.632,252-411-1,35161-71-8,N-methylpropyn-2-ylamine,N-methylprop-2-yn-1-amine,CNCC#C,CNCC#C,"InChI=1/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3",C4H7N,,,,,,HQFYIDOMCULPIW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.635,252-414-8,35168-64-0,"1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene","1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene",Cc1c(C)c(CBr)c(C)c(C)c1CBr,Cc1c(C)c(CBr)c(C)c(C)c1CBr,"InChI=1/C12H16Br2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6H2,1-4H3",C12H16Br2,,,,,,OREPDRBSWICSCF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.639,252-419-5,35173-29-6,3-(o-chlorophenyl)-3-hydroxy-3-phenylpropiononitrile,3-(2-chlorophenyl)-3-hydroxy-3-phenylpropanenitrile,OC(CC#N)(c1ccccc1)c2ccccc2Cl,OC(CC#N)(c1ccccc1)c2ccccc2Cl,"InChI=1/C15H12ClNO/c16-14-9-5-4-8-13(14)15(18,10-11-17)12-6-2-1-3-7-12/h1-9,18H,10H2",C15H12ClNO,,,,,,MGXGWVQXYJJOQW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.642,252-422-1,35185-58-1,"4-chloro-N-(1,1-diethyldocosyl)-1-hydroxynaphthalene-2-carboxamide","4-chloro-N-(1,1-diethyldocosyl)-1-hydroxy-2-naphthamide",CCCCCCCCCCCCCCCCCCCCCC(CC)(CC)NC(=O)c1cc(Cl)c2ccccc2c1O,CCCCCCCCCCCCCCCCCCCCCC(CC)(CC)NC(=O)c1cc(Cl)c2ccccc2c1O,"InChI=1/C37H60ClNO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-37(5-2,6-3)39-36(41)33-30-34(38)31-27-24-25-28-32(31)35(33)40/h24-25,27-28,30,40H,4-23,26,29H2,1-3H3,(H,39,41)",C37H60ClNO2,,,,,,ARFVNQPBJMMWIM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.661,252-443-6,35210-50-5,"2,6-bis[3-(4-azidophenyl)-2-propenylidene]-4-methylcyclohexan-1-one","2,6-bis[3-(4-azidophenyl)prop-2-en-1-ylidene]-4-methylcyclohexanone",CC3CC(=CC=Cc1ccc(\\N=[N+]=[N-])cc1)C(=O)C(=CC=Cc2ccc(\\N=[N+]=[N-])cc2)C3,CC3CC(=CC=Cc1ccc(\N=[N+]=[N-])cc1)C(=O)C(=CC=Cc2ccc(\N=[N+]=[N-])cc2)C3,"InChI=1/C25H22N6O/c1-18-16-21(6-2-4-19-8-12-23(13-9-19)28-30-26)25(32)22(17-18)7-3-5-20-10-14-24(15-11-20)29-31-27/h2-15,18H,16-17H2,1H3",C25H22N6O,,,,,,CQKOEPBDZWNFFC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.666,252-448-3,35231-44-8,4-bromomethyl-7-methoxycoumarin,4-(bromomethyl)-7-methoxy-2H-chromen-2-one,COc1ccc2C(=CC(=O)Oc2c1)CBr,COc1ccc2C(=CC(=O)Oc2c1)CBr,"InChI=1/C11H9BrO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3",C11H9BrO3,,,,,,CTENSLORRMFPDH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.667,252-449-9,35233-69-3,"(2H3)methyl (3,3,a,a,a-2H5)methacrylate",methyl methacrylate,COC(=O)C(=C)C,COC(=O)C(=C)C,"InChI=1/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3",C5D8O2,,,,,,VVQNEPGJFQJSBK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.669,252-452-5,35234-21-0,Methyl 3-(acetoxy)octanoate,methyl 3-acetoxyoctanoate,CCCCCC(CC(=O)OC)OC(=O)C,CCCCCC(CC(=O)OC)OC(=O)C,"InChI=1/C11H20O4/c1-4-5-6-7-10(15-9(2)12)8-11(13)14-3/h10H,4-8H2,1-3H3",C11H20O4,,,,,,HGSORJXMRKICEG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.672,252-455-1,35237-64-0,(Z)-tetradec-11-enal,tetradec-11-enal,CC\\C=C/CCCCCCCCCC=O,CC\C=C/CCCCCCCCCC=O,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,14H,2,5-13H2,1H3",C14H26O,,,,,,SPFYVVCZIOLVOK-ARJAWSKDSA-N,,,,,,,,,,,
100.061.747,267-941-9,67953-04-2,"1,4-dimethylheptylamine",5-methyloctan-2-amine,CCCC(C)CCC(C)N,CCCC(C)CCC(C)N,"InChI=1/C9H21N/c1-4-5-8(2)6-7-9(3)10/h8-9H,4-7,10H2,1-3H3",C9H21N,,,,,,JHLSRARFRAZKEV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.758,241-550-3,17579-41-8,N-[2-(diethylamino)ethyl]-4-[(propionyl)amino]benzamide monohydrochloride,N-[2-(diethylamino)ethyl]-4-(propionylamino)benzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1ccc(NC(=O)CC)cc1,Cl.CCN(CC)CCNC(=O)c1ccc(NC(=O)CC)cc1,"InChI=1/C16H25N3O2.ClH/c1-4-15(20)18-14-9-7-13(8-10-14)16(21)17-11-12-19(5-2)6-3;/h7-10H,4-6,11-12H2,1-3H3,(H,17,21)(H,18,20);1H",C16H25N3O2.ClH,,,,,,USQCGVUETLNEMP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.761,241-554-5,17585-69-2,3-phenyl-L-alanine hydrochloride,phenylalanine hydrochloride,Cl.N[C@@H](Cc1ccccc1)C(=O)O,Cl.N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C9H11NO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H",C9H11NO2.ClH,,,,,,ZAIZDXVMSSDZFA-QRPNPIFTSA-N,,,,,,,,,,,
100.037.764,241-557-1,17587-33-6,"(2E,6E)-nona-2,6-dien-1-al","nona-2,6-dienal",CC\\C=C\\CC\\C=C\\C=O,CC\C=C\CC\C=C\C=O,"InChI=1/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3",C9H14O,,,,,,HZYHMHHBBBSGHB-DYWGDJMRSA-N,,,,,,,,,,,
100.035.013,238-531-7,14519-18-7,Strontium bromate,strontium dibromate,[Sr+2].[O-]Br(=O)=O.[O-]Br(=O)=O,[Sr+2].[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/2BrHO3.Sr/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",BrHO3.1/2Sr,,,,,,NAMOWWYAIVZKKA-UHFFFAOYSA-L,,,,,,,,,,,
100.035.016,238-534-3,14521-87-0,Ethoxyacetic anhydride,ethoxyacetic anhydride,CCOCC(=O)OC(=O)COCC,CCOCC(=O)OC(=O)COCC,"InChI=1/C8H14O5/c1-3-11-5-7(9)13-8(10)6-12-4-2/h3-6H2,1-2H3",C8H14O5,,,,,,FCOGYPACUCYJOO-UHFFFAOYSA-N,,,,,,,,,,,
100.035.017,238-535-9,14521-96-1,Etorphine,"18-(1-hydroxy-1-methylbutyl)-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol",CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]4Oc5c(O)ccc6C[C@H]2N(C)CC[C@@]34c56,CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]4Oc5c(O)ccc6C[C@H]2N(C)CC[C@@]34c56,"InChI=1/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3",C25H33NO4,,,,,,CAHCBJPUTCKATP-FAWZKKEFSA-N,,,,,,,,,,,
100.035.027,238-546-9,14528-48-4,"(8a,9R)-9-chloro-6'-methoxycinchonan",9-chloro-6'-methoxycinchonan,COc1ccc2nccc([C@@H](Cl)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,COc1ccc2nccc([C@@H](Cl)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H23ClN2O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12H2,2H3",C20H23ClN2O,,,,,,KQRKDUSVAAFOOA-WZBLMQSHSA-N,,,,,,,,,,,
100.035.033,238-553-7,14529-53-4,2-ethoxypyridine,2-ethoxypyridine,CCOc1ccccn1,CCOc1ccccn1,"InChI=1/C7H9NO/c1-2-9-7-5-3-4-6-8-7/h3-6H,2H2,1H3",C7H9NO,,,,,,LISKAOIANGDBTB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.034,238-554-2,14531-12-5,"Dibutyl N,N'-1,2-ethanediylbis[N-(2-butoxy-2-oxoethyl)glycinate","tetrabutyl 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",CCCCOC(=O)CN(CCN(CC(=O)OCCCC)CC(=O)OCCCC)CC(=O)OCCCC,CCCCOC(=O)CN(CCN(CC(=O)OCCCC)CC(=O)OCCCC)CC(=O)OCCCC,"InChI=1/C26H48N2O8/c1-5-9-15-33-23(29)19-27(20-24(30)34-16-10-6-2)13-14-28(21-25(31)35-17-11-7-3)22-26(32)36-18-12-8-4/h5-22H2,1-4H3",C26H48N2O8,,,,,,XRMPIBMLBZUBIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.035,238-555-8,14531-34-1,Methyl 3-oxooctadecanoate,methyl 3-oxooctadecanoate,CCCCCCCCCCCCCCCC(=O)CC(=O)OC,CCCCCCCCCCCCCCCC(=O)CC(=O)OC,"InChI=1/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h3-17H2,1-2H3",C19H36O3,,,,,,UKKQXJNTICLENY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.040,238-561-0,14532-33-3,4-[3-(5-hydroxy-3-methylisoxazol-4-yl)allylidene]-3-methyl-(4H)isoxazol-5-one,4-[3-(5-hydroxy-3-methylisoxazol-4-yl)prop-2-en-1-ylidene]-3-methylisoxazol-5(4H)-one,CC1=NOC(=O)C1=CC=Cc2c(O)onc2C,CC1=NOC(=O)C1=CC=Cc2c(O)onc2C,"InChI=1/C11H10N2O4/c1-6-8(10(14)16-12-6)4-3-5-9-7(2)13-17-11(9)15/h3-5,14H,1-2H3",C11H10N2O4,,,,,,LWFXQWDOVHWDPR-UHFFFAOYSA-N,,,,,,,,,,,
100.035.044,238-565-2,14533-68-7,"Maleic acid, ester with hydracrylonitrile",4-(2-cyanoethoxy)-4-oxobut-2-enoic acid,OC(=O)C=CC(=O)OCCC#N,OC(=O)C=CC(=O)OCCC#N,"InChI=1/C7H7NO4/c8-4-1-5-12-7(11)3-2-6(9)10/h2-3H,1,5H2,(H,9,10)",C7H7NO4,,,,,,CSRPULGNFIOKDV-UHFFFAOYSA-N,,,,,,,,,,,
100.035.048,238-569-4,14536-00-6,Cerium(3+) stearate,cerium(3+) trioctadecanoate,[Ce+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],[Ce+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C18H36O2.Ce/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H36O2.1/3Ce,,,,,,BTVVNGIPFPKDHO-UHFFFAOYSA-K,,,,,,,,,,,
100.035.052,238-574-1,14542-05-3,"Sodium 3-[[3-[4-(hexadecyloxy)phenyl]-1,3-dioxopropyl]amino]benzenesulphonate",sodium 3-({3-[4-(hexadecyloxy)phenyl]-3-oxopropanoyl}amino)benzenesulfonate,[Na+].CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc2cccc(c2)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc2cccc(c2)S(=O)(=O)[O-],"InChI=1/C31H45NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38-28-21-19-26(20-22-28)30(33)25-31(34)32-27-17-16-18-29(24-27)39(35,36)37;/h16-22,24H,2-15,23,25H2,1H3,(H,32,34)(H,35,36,37);/q;+1/p-1",C31H45NO6S.Na,,,,,,VASNKHYSFYDYEM-UHFFFAOYSA-M,,,,,,,,,,,
100.035.055,238-577-8,14542-93-9,"1,1,3,3-tetramethylbutyl isocyanate","2-isocyanato-2,4,4-trimethylpentane",CC(C)(C)CC(C)(C)N=C=O,CC(C)(C)CC(C)(C)N=C=O,"InChI=1/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3",C9H17N,,,,,,XOHBENIMDRFUIH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.682,262-370-1,60676-54-2,"N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-3-phenyl-DL-alanine","N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-L-phenylalanine",OC(=O)[C@H](Cc1ccccc1)NC(=O)CN2C(=O)c3ccccc3C2=O,OC(=O)[C@H](Cc1ccccc1)NC(=O)CN2C(=O)c3ccccc3C2=O,"InChI=1/C19H16N2O5/c22-16(20-15(19(25)26)10-12-6-2-1-3-7-12)11-21-17(23)13-8-4-5-9-14(13)18(21)24/h1-9,15H,10-11H2,(H,20,22)(H,25,26)",C19H16N2O5,,,,,,BAIZNEMAFFNNOX-HNNXBMFYSA-N,,,,,,,,,,,
100.056.691,262-380-6,60687-90-3,Bis(2-hydroxyethyl)methyltetradecylammonium chloride,"N,N-bis(2-hydroxyethyl)-N-methyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(CCO)CCO,[Cl-].CCCCCCCCCCCCCC[N+](C)(CCO)CCO,"InChI=1/C19H42NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2,16-18-21)17-19-22;/h21-22H,3-19H2,1-2H3;1H/q+1;/p-1",C19H42NO2.Cl,,,,,,AVOOFNQIYITEED-UHFFFAOYSA-M,,,,,,,,,,,
100.056.695,262-384-8,60702-69-4,2-chloro-4-fluorobenzonitrile,2-chloro-4-fluorobenzonitrile,Fc1ccc(C#N)c(Cl)c1,Fc1ccc(C#N)c(Cl)c1,InChI=1/C7H3ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H,C7H3ClFN,,,,,,PGKPNNMOFHNZJX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.700,262-390-0,60719-84-8,Amrinone,"5-amino-3,4'-bipyridin-6(1H)-one",NC1=CC(=CNC1=O)c2ccncc2,NC1=CC(=CNC1=O)c2ccncc2,"InChI=1/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)",C10H9N3O,,,,,,RNLQIBCLLYYYFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.548,264-422-9,63710-31-6,Lithium nonan-1-oate,lithium nonanoate,[Li+].CCCCCCCCC(=O)[O-],[Li+].CCCCCCCCC(=O)[O-],"InChI=1/C9H18O2.Li/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1",C9H18O2.Li,,,,,,VXCYWLNVEABOLO-UHFFFAOYSA-M,,,,,,,,,,,
100.058.555,264-430-2,63718-62-7,Aluminium pentadecanoate,aluminum tripentadecanoate,[Al+3].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C15H30O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h3*2-14H2,1H3,(H,16,17);/q;;;+3/p-3",C15H30O2.1/3Al,,,,,,SMYVRNHZWXIWRM-UHFFFAOYSA-K,,,,,,,,,,,
100.058.570,264-447-5,63758-85-0,Isopropylhydroxylammonium hydrogen sulphate,hydroxy(isopropyl)ammonium hydrogen sulfate,CC(C)[NH2+]O.[O-]S(=O)(=O)[O-],CC(C)[NH2+]O.[O-]S(=O)(=O)[O-],"InChI=1/C3H9NO.H2O4S/c1-3(2)4-5;1-5(2,3)4/h3-5H,1-2H3;(H2,1,2,3,4)/p-1",C3H9NO.H2O4S,,,,,,HVAQWYJCJXMYSY-UHFFFAOYSA-M,,,,,,,,,,,
100.058.572,264-449-6,63766-16-5,"Dipotassium 3,3'-methylenebisnaphthalene-2-sulphonate","dipotassium 3,3'-methylenedinaphthalene-2-sulfonate",[K+].[K+].[O-]S(=O)(=O)c1cc2ccccc2cc1Cc3cc4ccccc4cc3S(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)c1cc2ccccc2cc1Cc3cc4ccccc4cc3S(=O)(=O)[O-],"InChI=1/C21H16O6S2.2K/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C21H16O6S2.2K,,,,,,DMAKIGMBSNIBDJ-UHFFFAOYSA-L,,,,,,,,,,,
100.046.874,251-577-2,33577-16-1,Methyl methylthiomethyl sulphoxide,(methylsulfanyl)(methylsulfinyl)methane,CSCS(=O)C,CSCS(=O)C,"InChI=1/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3",C3H8OS2,,,,,,OTKFCIVOVKCFHR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.003,251-719-3,33889-48-4,"2,9-dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decane","6-isopropyl-2,9-dimethyl-1,4-dioxaspiro[4.5]decane",CC(C)C1CCC(C)CC12OCC(C)O2,CC(C)C1CCC(C)CC12OCC(C)O2,"InChI=1/C13H24O2/c1-9(2)12-6-5-10(3)7-13(12)14-8-11(4)15-13/h9-12H,5-8H2,1-4H3",C13H24O2,,,,,,MAAGZWWNQQUAPA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.007,251-724-0,33893-36-6,N-phenethylmethanesulphonamide,N-(2-phenylethyl)methanesulfonamide,CS(=O)(=O)NCCc1ccccc1,CS(=O)(=O)NCCc1ccccc1,"InChI=1/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3",C9H13NO2S,,,,,,JGDDFCYMSLNOGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.014,251-731-9,33906-22-8,"4,5-dihydro-2-pentyl-1H-imidazole-1-ethylamine","2-(2-pentyl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCC1=NCCN1CCN,CCCCCC1=NCCN1CCN,"InChI=1/C10H21N3/c1-2-3-4-5-10-12-7-9-13(10)8-6-11/h2-9,11H2,1H3",C10H21N3,,,,,,GTKAMMYWHUBNFR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.020,251-738-7,33910-56-4,"Aminoguanidine, compound with 5,5'-azobis[1H-tetrazole]","hydrazinecarboximidamide - 5,5'-diazene-1,2-diylbis-1H-tetrazole (1:1)",N=C(N)NN.N(=NC=1NN=NN=1)C=2NN=NN=2,N=C(N)NN.N(=NC=1NN=NN=1)C=2NN=NN=2,"InChI=1/C2H2N10.CH6N4/c3(1-5-9-10-6-1)4-2-7-11-12-8-2;2-1(3)5-4/h(H,5,6,9,10)(H,7,8,11,12);4H2,(H4,2,3,5)",C2H2N10.xCH6N4,,,,,,USBHJVHLBXKLBP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.024,251-742-9,33919-45-8,"Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate","triallyl 3,3',3''-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate",C=CCOC(=O)CCN1C(=O)N(CCC(=O)OCC=C)C(=O)N(CCC(=O)OCC=C)C1=O,C=CCOC(=O)CCN1C(=O)N(CCC(=O)OCC=C)C(=O)N(CCC(=O)OCC=C)C1=O,"InChI=1/C21H27N3O9/c1-4-13-31-16(25)7-10-22-19(28)23(11-8-17(26)32-14-5-2)21(30)24(20(22)29)12-9-18(27)33-15-6-3/h4-6H,1-3,7-15H2",C21H27N3O9,,,,,,FGVDSXMHQJSIBA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.039,251-759-1,33953-37-6,N-4-piperidylbenzamide,N-piperidin-4-ylbenzamide,O=C(NC1CCNCC1)c2ccccc2,O=C(NC1CCNCC1)c2ccccc2,"InChI=1/C12H16N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-5,11,13H,6-9H2,(H,14,15)",C12H16N2O,,,,,,JMQDNLCNCDSHNC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.420,252-178-6,34740-81-3,1-amino-4-hydroxy-2-[4-(methylthio)phenoxy]anthraquinone,"1-amino-4-hydroxy-2-[4-(methylsulfanyl)phenoxy]-9,10-anthraquinone",CSc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,CSc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C21H15NO4S/c1-27-12-8-6-11(7-9-12)26-16-10-15(23)17-18(19(16)22)21(25)14-5-3-2-4-13(14)20(17)24/h2-10,23H,22H2,1H3",C21H15NO4S,,,,,,WXOSHVARKGGGQM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.269,264-116-5,63387-34-8,Strontium bis(mercaptoacetate),strontium bis(sulfanylacetate),[Sr+2].[O-]C(=O)CS.[O-]C(=O)CS,[Sr+2].[O-]C(=O)CS.[O-]C(=O)CS,"InChI=1/2C2H4O2S.Sr/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2",C2H4O2S.1/2Sr,,,,,,JEUDXCQTVURKDL-UHFFFAOYSA-L,,,,,,,,,,,
100.058.270,264-117-0,63388-35-2,"1-(3-bromopropyl)-5-chloro-1,3-dihydro-2H-benzimidazol-2-one","1-(3-bromopropyl)-5-chloro-1,3-dihydro-2H-benzimidazol-2-one",Clc1ccc2N(CCCBr)C(=O)Nc2c1,Clc1ccc2N(CCCBr)C(=O)Nc2c1,"InChI=1/C10H10BrClN2O/c11-4-1-5-14-9-3-2-7(12)6-8(9)13-10(14)15/h2-3,6H,1,4-5H2,(H,13,15)",C10H10BrClN2O,,,,,,ZAXGBHVNESQALC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.274,264-121-2,63394-05-8,Plafibride,2-(4-chlorophenoxy)-2-methyl-N-[(morpholin-4-ylmethyl)carbamoyl]propanamide,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC(=O)NCN2CCOCC2,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC(=O)NCN2CCOCC2,"InChI=1/C16H22ClN3O4/c1-16(2,24-13-5-3-12(17)4-6-13)14(21)19-15(22)18-11-20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3,(H2,18,19,21,22)",C16H22ClN3O4,,,,,,DDDQVDIPBFGVIG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.276,264-123-3,63399-94-0,Lead(2+) heptadecanoate,heptadecanoic acid,CCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",C17H34O2.1/2Pb,,,,,,KEMQGTRYUADPNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.277,264-124-9,63400-09-9,Cadmium pentadecanoate,cadmium dipentadecanoate,[Cd+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C15H30O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2",C15H30O2.1/2Cd,,,,,,HCSDRWMPGKDJJE-UHFFFAOYSA-L,,,,,,,,,,,
100.058.282,264-130-1,63405-99-2,"5,7-dichloro-4-(2,4,5-trichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole","4,6-dichloro-7-(2,4,5-trichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole",FC(F)(F)c1nc2c(Cl)cc(Cl)c(Oc3cc(Cl)c(Cl)cc3Cl)c2[nH]1,FC(F)(F)c1nc2c(Cl)cc(Cl)c(Oc3cc(Cl)c(Cl)cc3Cl)c2[nH]1,"InChI=1/C14H4Cl5F3N2O/c15-4-1-6(17)9(3-5(4)16)25-12-8(19)2-7(18)10-11(12)24-13(23-10)14(20,21)22/h1-3H,(H,23,24)",C14H4Cl5F3N2O,,,,,,RPICHNHPPUQIHI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.283,264-131-7,63408-88-8,3-hydroxynonyl propionate,3-hydroxynonyl propionate,CCCCCCC(O)CCOC(=O)CC,CCCCCCC(O)CCOC(=O)CC,"InChI=1/C12H24O3/c1-3-5-6-7-8-11(13)9-10-15-12(14)4-2/h11,13H,3-10H2,1-2H3",C12H24O3,,,,,,KTXBXWFBDQAWLR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.287,264-135-9,63425-46-7,1-ethyl-2-[(3-ethyl-4-phenyl-3H-oxazol-2-ylidene)methyl]quinolinium iodide,"1-ethyl-2-[(3-ethyl-4-phenyl-1,3-oxazol-2(3H)-ylidene)methyl]quinolinium iodide",[I-].CC[n+]1c(ccc2ccccc12)C=C3O\\C=C(/N3CC)c4ccccc4,[I-].CC[n+]1c(ccc2ccccc12)C=C3O\C=C(/N3CC)c4ccccc4,"InChI=1/C23H23N2O.HI/c1-3-24-20(15-14-19-12-8-9-13-21(19)24)16-23-25(4-2)22(17-26-23)18-10-6-5-7-11-18;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2O.I,,,,,,QELUHEHBCSOZOG-UHFFFAOYSA-M,,,,,,,,,,,
100.058.299,264-149-5,63448-63-5,1-(methoxymethyl)propylamine,1-methoxybutan-2-amine,CCC(N)COC,CCC(N)COC,"InChI=1/C5H13NO/c1-3-5(6)4-7-2/h5H,3-4,6H2,1-2H3",C5H13NO,,,,,,QAFODUGVXFNLBE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.301,264-151-6,63449-41-2,"Quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides","N-benzyl-N,N-dimethyldecan-1-aminium chloride",[Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1",-,,,,,,TTZLKXKJIMOHHG-UHFFFAOYSA-M,,,,,,,,,,,
100.060.215,266-257-8,66215-27-8,"N-cyclopropyl-1,3,5-triazine-2,4,6-triamine","N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine",Nc1nc(N)nc(NC2CC2)n1,Nc1nc(N)nc(NC2CC2)n1,"InChI=1/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)",C6H10N6,,,,,,LVQDKIWDGQRHTE-UHFFFAOYSA-N,Positive,AU302101|AU302102|AU302103|AU302104|AU302105;SM845603,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35,167.1053:168.1067:125.0822|167.1045:125.0825:168.1068|167.1044:125.082:139.0726|151.0727:125.0827:127.0724|151.0715;167.1039:85.0508:60.0557,Athens_Univ;CASMI_2016,,,,,
100.060.235,266-279-8,66256-62-0,4-methyl-2-propylhexan-1-ol,4-methyl-2-propylhexan-1-ol,CCCC(CO)CC(C)CC,CCCC(CO)CC(C)CC,"InChI=1/C10H22O/c1-4-6-10(8-11)7-9(3)5-2/h9-11H,4-8H2,1-3H3",C10H22O,,,,,,VZXWJVFQXZUFQS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.236,266-280-3,66256-72-2,"4,5-dihydro-5-oxo-4-[(m-tolyl)azo]-1H-pyrazole-3-carboxylic acid","4-[(3-methylphenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",O=C2N\\N=C(/C2N=Nc1cc(C)ccc1)C(O)=O,O=C2N\N=C(/C2N=Nc1cc(C)ccc1)C(O)=O,"InChI=1/C11H10N4O3/c1-6-3-2-4-7(5-6)12-13-8-9(11(17)18)14-15-10(8)16/h2-5,8H,1H3,(H,15,16)(H,17,18)",C11H10N4O3,,,,,,CCTSVMZJARVJKV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.242,266-287-1,66264-73-1,"[4,ß-dihydroxy-3-(methylthio)phenethyl][1-methyl-3-(4-methoxyphenyl)propyl]ammonium acetate",N-{2-hydroxy-2-[4-hydroxy-3-(methylsulfanyl)phenyl]ethyl}-4-(4-methoxyphenyl)butan-2-aminium acetate,COc1ccc(CCC(C)[NH2+]CC(O)c2ccc(O)c(SC)c2)cc1.CC(=O)[O-],COc1ccc(CCC(C)[NH2+]CC(O)c2ccc(O)c(SC)c2)cc1.CC(=O)[O-],"InChI=1/C20H27NO3S.C2H4O2/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;1-2(3)4/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H3,(H,3,4)",C20H27NO3S.C2H4O2,,,,,,DXSZXNSHQYFKFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.638,262-321-4,60607-35-4,Topterone,"17-hydroxy-10,13-dimethyl-17-propyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CCC[C@]1(O)CC[C@H]2C3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C,CCC[C@]1(O)CC[C@H]2C3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C,"InChI=1/C22H34O2/c1-4-10-22(24)13-9-19-17-6-5-15-14-16(23)7-11-20(15,2)18(17)8-12-21(19,22)3/h14,17-19,24H,4-13H2,1-3H3",C22H34O2,,,,,,LZSOOHLAZHOTHJ-WSJORCQWSA-N,,,,,,,,,,,
100.056.640,262-324-0,60608-94-8,2-methylbutyl methacrylate,2-methylbutyl methacrylate,CCC(C)COC(=O)C(=C)C,CCC(C)COC(=O)C(=C)C,"InChI=1/C9H16O2/c1-5-8(4)6-11-9(10)7(2)3/h8H,2,5-6H2,1,3-4H3",C9H16O2,,,,,,SESQOVINGFJWQN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.647,262-331-9,60618-05-5,"1,5-bis[4-(2,3-epoxypropyloxy)phenyl]penta-1,4-dien-3-one","1,5-bis[4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one",O=C(C=Cc2ccc(OCC1CO1)cc2)C=Cc4ccc(OCC3CO3)cc4,O=C(C=Cc2ccc(OCC1CO1)cc2)C=Cc4ccc(OCC3CO3)cc4,"InChI=1/C23H22O5/c24-19(7-1-17-3-9-20(10-4-17)25-13-22-15-27-22)8-2-18-5-11-21(12-6-18)26-14-23-16-28-23/h1-12,22-23H,13-16H2",C23H22O5,,,,,,IRSZHSGBVKNAAI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.651,262-336-6,60628-96-8,Bifonazole,1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole,c1ccc(cc1)C(c2ccc(cc2)c3ccccc3)n4ccnc4,c1ccc(cc1)C(c2ccc(cc2)c3ccccc3)n4ccnc4,"InChI=1/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H",C22H18N2,,,,,,OCAPBUJLXMYKEJ-UHFFFAOYSA-N,Positive,SM849101,[M+H]+,HCD35,243.1169:165.0699:91.0542,CASMI_2016,,,,,
100.058.503,264-372-8,63623-23-4,Bis[[2-(acryloyloxy)ethyl]diethylammonium] sulphate,"bis[2-(acryloyloxy)-N,N-diethylethanaminium] sulfate",CC[NH+](CC)CCOC(=O)C=C.CC[NH+](CC)CCOC(=O)C=C.[O-]S(=O)(=O)[O-],CC[NH+](CC)CCOC(=O)C=C.CC[NH+](CC)CCOC(=O)C=C.[O-]S(=O)(=O)[O-],"InChI=1/2C9H17NO2.H2O4S/c2*1-4-9(11)12-8-7-10(5-2)6-3;1-5(2,3)4/h2*4H,1,5-8H2,2-3H3;(H2,1,2,3,4)",C9H17NO2.1/2H2O4S,,,,,,LPHWEHDDFHKNSK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.505,264-374-9,63629-89-0,4-(3-hydroxypropyl)-1-(morpholinecarbonyl)pyridinium chloride,4-(3-hydroxypropyl)-1-(morpholin-2-ylcarbonyl)pyridinium chloride,[Cl-].OCCCc1cc[n+](cc1)C(=O)C2CNCCO2,[Cl-].OCCCc1cc[n+](cc1)C(=O)C2CNCCO2,"InChI=1/C13H19N2O3.ClH/c16-8-1-2-11-3-6-15(7-4-11)13(17)12-10-14-5-9-18-12;/h3-4,6-7,12,14,16H,1-2,5,8-10H2;1H/q+1;/p-1",C13H19N2O3.Cl,,,,,,ABKNSSSQNATKAE-UHFFFAOYSA-M,,,,,,,,,,,
100.058.512,264-382-2,63654-52-4,(Z)-(2-amino-2-oxoethyl)[2-[(3-carboxy-1-oxoallyl)oxy]ethyl]dimethylammonium dodecyl sulphate,"2-amino-N-{2-[(3-carboxyacryloyl)oxy]ethyl}-N,N-dimethyl-2-oxoethanaminium dodecyl sulfate",CCCCCCCCCCCCOS(=O)(=O)[O-].C[N+](C)(CCOC(=O)\\C=C/C(=O)O)CC(=O)N,CCCCCCCCCCCCOS(=O)(=O)[O-].C[N+](C)(CCOC(=O)\C=C/C(=O)O)CC(=O)N,"InChI=1/C12H26O4S.C10H16N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-12(2,7-8(11)13)5-6-17-10(16)4-3-9(14)15/h2-12H2,1H3,(H,13,14,15);3-4H,5-7H2,1-2H3,(H2-,11,13,14,15)",C12H25O4S.C10H17N2O5,,,,,,MRPTYZHWQNTLIT-QGAMPUOQSA-N,,,,,,,,,,,
100.058.514,264-384-3,63659-19-8,1-(isopropylamino)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]propan-2-ol hydrochloride,1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(isopropylamino)propan-2-ol hydrochloride,Cl.CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,Cl.CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,"InChI=1/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H",C18H29NO3.ClH,,,,,,CHDPSNLJFOQTRK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.516,264-386-4,63660-23-1,2'-deoxy-N-(2-methyl-1-oxopropyl)guanosine 3'-benzoate,3'-O-benzoyl-2'-deoxy-N-isobutyrylguanosine,CC(C)C(=O)NC1=Nc2c(ncn2[C@H]3C[C@H](OC(=O)c4ccccc4)[C@@H](CO)O3)C(=O)N1,CC(C)C(=O)NC1=Nc2c(ncn2[C@H]3C[C@H](OC(=O)c4ccccc4)[C@@H](CO)O3)C(=O)N1,"InChI=1/C21H23N5O6/c1-11(2)18(28)24-21-23-17-16(19(29)25-21)22-10-26(17)15-8-13(14(9-27)31-15)32-20(30)12-6-4-3-5-7-12/h3-7,10-11,13-15,27H,8-9H2,1-2H3,(H2,23,24,25,28,29)",C21H23N5O6,,,,,,LIOWMNSJEHKBBW-RRFJBIMHSA-N,,,,,,,,,,,
100.058.519,264-390-6,63663-12-7,[2-hydroxy-3-sulphopropyl]dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium hydroxide,"2-hydroxy-N,N-dimethyl-N-[3-(stearoylamino)propyl]-3-sulfopropan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)O,[OH-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)O,"InChI=1/C26H54N2O5S.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33;/h25,29H,4-24H2,1-3H3,(H-,27,30,31,32,33);1H2",C26H54N2O5S,,,,,,DHSOKKDZLWXILH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.522,264-393-2,63665-80-5,"2-(2-chloro-2-phenylvinyl)-1-methylnaphtho[1,2-d]thiazolium chloride","2-(2-chloro-2-phenylvinyl)-1-methylnaphtho[1,2-d][1,3]thiazol-1-ium chloride",[Cl-].C[n+]1c(\\C=C(/Cl)\\c2ccccc2)sc3ccc4ccccc4c13,[Cl-].C[n+]1c(\C=C(/Cl)\c2ccccc2)sc3ccc4ccccc4c13,"InChI=1/C20H15ClNS.ClH/c1-22-19(13-17(21)15-8-3-2-4-9-15)23-18-12-11-14-7-5-6-10-16(14)20(18)22;/h2-13H,1H3;1H/q+1;/p-1",C20H15ClNS.Cl,,,,,,ONAQNLOYSAHXHF-VSORCOHTSA-M,,,,,,,,,,,
100.058.524,264-395-3,63665-86-1,Sodium ethoxyacetate,sodium ethoxyacetate,[Na+].CCOCC(=O)[O-],[Na+].CCOCC(=O)[O-],"InChI=1/C4H8O3.Na/c1-2-7-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1",C4H8O3.Na,,,,,,GYMRDVXSOQVBSJ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.534,264-407-7,63675-72-9,Nisoldipine,"isobutyl methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OCC(C)C)C,COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OCC(C)C)C,"InChI=1/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3",C20H24N2O6,,,,,,VKQFCGNPDRICFG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.633,238-113-4,14239-68-0,Cadmium bis(diethyldithiocarbamate),cadmium bis(diethyldithiocarbamate),[Cd+2].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-],[Cd+2].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-],"InChI=1/2C5H11NS2.Cd/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2",C10H20CdN2S4,,,,,,QQOALHQRKUYNIC-UHFFFAOYSA-L,,,,,,,,,,,
100.034.639,238-120-2,14244-40-7,"Bis(dinonyldithiocarbamato-S,S')zinc",zinc bis(dinonyldithiocarbamate),CCCCCCCCCN(CCCCCCCCC)C(=S)S[Zn]SC(=S)N(CCCCCCCCC)CCCCCCCCC,CCCCCCCCCN(CCCCCCCCC)C(=S)S[Zn]SC(=S)N(CCCCCCCCC)CCCCCCCCC,"InChI=1/2C19H39NS2.Zn/c2*1-3-5-7-9-11-13-15-17-20(19(21)22)18-16-14-12-10-8-6-4-2;/h2*3-18H2,1-2H3,(H,21,22);/q;;+2/p-2/rC38H76N2S4Zn/c1-5-9-13-17-21-25-29-33-39(34-30-26-22-18-14-10-6-2)37(41)43-45-44-38(42)40(35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4/h5-36H2,1-4H3",C38H76N2S4Zn,,,,,,QOAIPKKMOWKBTE-UHFFFAOYSA-L,,,,,,,,,,,
100.034.643,238-124-4,14250-88-5,"2,2-dimethylvaleraldehyde","2,2-dimethylpentanal",CCCC(C)(C)C=O,CCCC(C)(C)C=O,"InChI=1/C7H14O/c1-4-5-7(2,3)6-8/h6H,4-5H2,1-3H3",C7H14O,,,,,,YMXAGOUPXPGFLB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.651,238-133-3,14255-87-9,Parbendazole,methyl (5-butyl-1H-benzimidazol-2-yl)carbamate,CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1,CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1,"InChI=1/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)",C13H17N3O2,,,,,,YRWLZFXJFBZBEY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.665,238-149-0,14263-90-2,5-[(diethylamino)sulphonyl]-2-methoxybenzenediazonium tetrachlorozincate (2:1),bis[5-(diethylsulfamoyl)-2-methoxybenzenediazonium] tetrachlorozincate(2-),CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)[N+]#N.CCN(CC)S(=O)(=O)c2ccc(OC)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)[N+]#N.CCN(CC)S(=O)(=O)c2ccc(OC)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C11H16N3O3S.4ClH.Zn/c2*1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12;;;;;/h2*6-8H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H16N3O3S.Cl4Zn/c2*1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12;1-5(2,3)4/h2*6-8H,4-5H2,1-3H3;/q2*+1;-2",C11H16N3O3S.1/2Cl4Zn,,,,,,GWQOSIMXEKQVSC-UHFFFAOYSA-J,,,,,,,,,,,
100.034.672,238-156-9,14265-53-3,"7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-benzopyran-4-one","3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside",COc1ccc(cc1O)C2=C(O)C(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,COc1ccc(cc1O)C2=C(O)C(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,"InChI=1/C28H32O16/c1-9-18(31)21(34)24(37)27(41-9)40-8-16-19(32)22(35)25(38)28(44-16)42-11-6-13(30)17-15(7-11)43-26(23(36)20(17)33)10-3-4-14(39-2)12(29)5-10/h3-7,9,16,18-19,21-22,24-25,27-32,34-38H,8H2,1-2H3",C28H32O16,,,,,,FMZXFFXOKZSIMV-UHFFFAOYSA-N,,,,,,,,,,,
100.034.674,238-159-5,14267-92-6,5-chloropent-1-yne,5-chloropent-1-yne,ClCCCC#C,ClCCCC#C,"InChI=1/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2",C5H7Cl,,,,,,UXFIKVWAAMKFQE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.676,238-161-6,14268-66-7,"3,4-(methylenedioxy)aniline","1,3-benzodioxol-5-amine",Nc1ccc2OCOc2c1,Nc1ccc2OCOc2c1,"InChI=1/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2",C7H7NO2,,,,,,XGNXYCFREOZBOL-UHFFFAOYSA-N,,,,,,,,,,,
100.031.486,234-648-2,12019-69-1,"Copper, compound with tin (6:5)",-,[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Sn].[Sn].[Sn].[Sn].[Sn],[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Sn].[Sn].[Sn].[Sn].[Sn],InChI=1/6Cu.5Sn.10H/q6*+1;5*+4;;;;;;;;;;/r6Cu.5H2Sn/h;;;;;;5*1H2/q6*+1;5*+4,Cu.Sn,,,,,,FZHWCQIYQKQOBP-UHFFFAOYSA-N,,,,,,,,,,,
100.031.489,234-651-9,12019-92-0,"Antimony, compound with dysprosium (1:1)",-,[Sb].[Dy],[Sb].[Dy],InChI=1/Dy.Sb/q2*+3,Dy.Sb,,,,,,LORQYBGBGJXRFG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.626,233-702-2,10319-80-9,N-(1-naphthyl)thioacetamide,N-1-naphthylethanethioamide,CC(=S)Nc1cccc2ccccc12,CC(=S)Nc1cccc2ccccc12,"InChI=1/C12H11NS/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)",C12H11NS,,,,,,VCHHDIBIIGAJQB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.629,233-705-9,10321-12-7,Propizepine,"6-[2-(dimethylamino)propyl]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one",CC(CN1C(=O)c2cccnc2Nc3ccccc13)N(C)C,CC(CN1C(=O)c2cccnc2Nc3ccccc13)N(C)C,"InChI=1/C17H20N4O/c1-12(20(2)3)11-21-15-9-5-4-8-14(15)19-16-13(17(21)22)7-6-10-18-16/h4-10,12H,11H2,1-3H3,(H,18,19)",C17H20N4O,,,,,,YFLBETLXDPBWTD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.632,233-709-0,10325-39-0,Dichloroborane,dichloroborane,ClBCl,ClBCl,InChI=1/BCl2H/c2-1-3/h1H,BCl2H,,,,,,LHCGBIFHSCCRRG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.637,233-714-8,10328-92-4,"1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione","1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione",CN1C(=O)OC(=O)c2ccccc12,CN1C(=O)OC(=O)c2ccccc12,"InChI=1/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3",C9H7NO3,,,,,,KJMRWDHBVCNLTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.638,233-715-3,10329-37-0,3-chloromethacrylonitrile,3-chloro-2-methylacrylonitrile,C\\C(=C\\Cl)\\C#N,C\C(=C\Cl)\C#N,"InChI=1/C4H4ClN/c1-4(2-5)3-6/h2H,1H3",C4H4ClN,,,,,,SRNADAWHRWZEFE-RQOWECAXSA-N,,,,,,,,,,,
100.061.271,267-419-0,67859-70-5,Gold(3+) pentapotassium tetrasulphite,gold(3+) pentapotassium tetrasulphite,[K+].[K+].[K+].[K+].[K+].[Au+3].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],[K+].[K+].[K+].[K+].[K+].[Au+3].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/Au.5K.4H2O3S/c;;;;;;4*1-4(2)3/h;;;;;;4*(H2,1,2,3)/q+3;5*+1;;;;/p-8",Au.4H2O3S.5K,,,,,,LWGPILAREIVDTF-UHFFFAOYSA-F,,,,,,,,,,,
100.061.272,267-420-6,67859-71-6,Rhodium phosphate,rhodium phosphate,[Rh+2].[Rh+2].[Rh+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Rh+2].[Rh+2].[Rh+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2H3O4P.3Rh/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;3*+2/p-6",H3O4P.Rh,,,,,,QSSPBWPWPJNUES-UHFFFAOYSA-H,,,,,,,,,,,
100.061.275,267-423-2,67859-75-0,Diethoxymethyloctadecylsilane,(diethoxymethyl)(octadecyl)silane,CCCCCCCCCCCCCCCCCC[SiH2]C(OCC)OCC,CCCCCCCCCCCCCCCCCC[SiH2]C(OCC)OCC,"InChI=1/C23H50O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23(24-5-2)25-6-3/h23H,4-22,26H2,1-3H3",C23H50O2Si,,,,,,APXIUGUTGQHDAX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.279,267-427-4,67859-79-4,"1,1-dichloro-1-ethyl-N,N-dimethylsilylamine","1,1-dichloro-1-ethyl-N,N-dimethylsilanamine",CC[Si](Cl)(Cl)N(C)C,CC[Si](Cl)(Cl)N(C)C,"InChI=1/C4H11Cl2NSi/c1-4-8(5,6)7(2)3/h4H2,1-3H3",C4H11Cl2NSi,,,,,,NNSMOAJHJWZVTI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.283,267-432-1,67859-98-7,"1-(2,2-diethoxyethyl)-4-(isopropyl)benzene","1-(2,2-diethoxyethyl)-4-isopropylbenzene",CCOC(Cc1ccc(cc1)C(C)C)OCC,CCOC(Cc1ccc(cc1)C(C)C)OCC,"InChI=1/C15H24O2/c1-5-16-15(17-6-2)11-13-7-9-14(10-8-13)12(3)4/h7-10,12,15H,5-6,11H2,1-4H3",C15H24O2,,,,,,OBKPLJKFWGCMTP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.291,267-441-0,67869-13-0,"2,3,5-tribromo-4-methylthiophene","2,3,5-tribromo-4-methylthiophene",Cc1c(Br)sc(Br)c1Br,Cc1c(Br)sc(Br)c1Br,InChI=1/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3,C5H3Br3S,,,,,,DTLNXOZXOZCNMX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.296,267-446-8,67873-92-1,"5,7,7-trimethyl-3-azabicyclo[3.3.1]nonanamine","5,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-1-amine",CC1(C)CC2(C)CNCC(N)(C1)C2,CC1(C)CC2(C)CNCC(N)(C1)C2,"InChI=1/C11H22N2/c1-9(2)4-10(3)6-11(12,5-9)8-13-7-10/h13H,4-8,12H2,1-3H3",C11H22N2,,,,,,CFBJIFBQVHRWIP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.710,262-401-9,60742-66-7,"Docosane-1,2-diol","docosane-1,2-diol",CCCCCCCCCCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCCCCCCCCCC(O)CO,"InChI=1/C22H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23/h22-24H,2-21H2,1H3",C22H46O2,,,,,,DSTFRDBEOMKTOS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.712,262-404-5,60753-22-2,5-(4-phenyl-1-piperazinyl)pentan-2-one hydrochloride,5-(4-phenylpiperazin-1-yl)pentan-2-one hydrochloride,Cl.CC(=O)CCCN1CCN(CC1)c2ccccc2,Cl.CC(=O)CCCN1CCN(CC1)c2ccccc2,"InChI=1/C15H22N2O.ClH/c1-14(18)6-5-9-16-10-12-17(13-11-16)15-7-3-2-4-8-15;/h2-4,7-8H,5-6,9-13H2,1H3;1H",C15H22N2O.ClH,,,,,,WFMKLVNEJXKTFV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.713,262-405-0,60755-05-7,"2,5-dihydro-2,4-dimethylthiazole","2,4-dimethyl-2,5-dihydro-1,3-thiazole",CC1SCC(=N1)C,CC1SCC(=N1)C,"InChI=1/C5H9NS/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3",C5H9NS,,,,,,PLOCKLWJINZHTI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.719,262-411-3,60763-39-5,Isopropyl diphenyl phosphate,isopropyl diphenyl phosphate,CC(C)OP(=O)(Oc1ccccc1)Oc2ccccc2,CC(C)OP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C15H17O4P/c1-13(2)17-20(16,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1-2H3",C15H17O4P,,,,,,YDICVVYPXSZSFA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.723,262-416-0,60763-44-2,"3-methoxy-3,7-dimethylocta-1,6-diene","1,5-dimethyl-1-vinylhex-4-en-1-yl methyl ether",COC(C)(CCC=C(C)C)C=C,COC(C)(CCC=C(C)C)C=C,"InChI=1/C11H20O/c1-6-11(4,12-5)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",C11H20O,,,,,,BARWQAWUANUTNS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.726,262-419-7,60763-78-2,"3-ethylthiopropane-1,2-diol","3-(ethylsulfanyl)propane-1,2-diol",CCSCC(O)CO,CCSCC(O)CO,"InChI=1/C5H12O2S/c1-2-8-4-5(7)3-6/h5-7H,2-4H2,1H3",C5H12O2S,,,,,,GILAQKILVGHFPX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.729,262-422-3,60766-26-9,2-mercapto-N-[4-(phenylamino)phenyl]acetamide,N-(4-anilinophenyl)-2-sulfanylacetamide,SCC(=O)Nc1ccc(Nc2ccccc2)cc1,SCC(=O)Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C14H14N2OS/c17-14(10-18)16-13-8-6-12(7-9-13)15-11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)",C14H14N2OS,,,,,,PTQUXQSEBAQTFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.743,262-438-0,60809-93-0,"2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl butylcarbamate","2-(ethyl{4-[(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl}amino)ethyl butylcarbamate",CCCCNC(=O)OCCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,CCCCNC(=O)OCCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,"InChI=1/C22H26N6O4S/c1-3-5-12-23-22(29)32-14-13-27(4-2)17-8-6-16(7-9-17)24-25-21-19-15-18(28(30)31)10-11-20(19)26-33-21/h6-11,15H,3-5,12-14H2,1-2H3,(H,23,29)",C22H26N6O4S,,,,,,GJXXPCFAWINJIL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.745,262-440-1,60813-12-9,"4,4',4''-methylidynetris[N,N-dipropylaniline]","4,4',4''-methanetriyltris(N,N-dipropylaniline)",CCCN(CCC)c1ccc(cc1)C(c2ccc(cc2)N(CCC)CCC)c3ccc(cc3)N(CCC)CCC,CCCN(CCC)c1ccc(cc1)C(c2ccc(cc2)N(CCC)CCC)c3ccc(cc3)N(CCC)CCC,"InChI=1/C37H55N3/c1-7-25-38(26-8-2)34-19-13-31(14-20-34)37(32-15-21-35(22-16-32)39(27-9-3)28-10-4)33-17-23-36(24-18-33)40(29-11-5)30-12-6/h13-24,37H,7-12,25-30H2,1-6H3",C37H55N3,,,,,,UXBWXMXAXJKBSA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.593,260-072-6,56237-73-1,(2-ethylhexanoato-O)oxoaluminium,(2-ethylhexanoato-kappaO)(oxo)aluminum,CCCCC(CC)C(=O)O[Al]=O,CCCCC(CC)C(=O)O[Al]=O,"InChI=1/C8H16O2.Al.O/c1-3-5-6-7(4-2)8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;/q;+1;/p-1/rC8H15AlO3/c1-3-5-6-7(4-2)8(10)12-9-11/h7H,3-6H2,1-2H3",C8H15AlO3,,,,,,MWWSKDRLCHIBAF-UHFFFAOYSA-M,,,,,,,,,,,
100.054.595,260-074-7,56239-91-9,2-hexylcyclopent-2-en-1-ol,2-hexylcyclopent-2-en-1-ol,CCCCCCC1=CCCC1O,CCCCCCC1=CCCC1O,"InChI=1/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8,11-12H,2-7,9H2,1H3",C11H20O,,,,,,VESRTLCRBMYPCA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.598,260-077-3,56253-60-2,Trimethyl[(phenylseleno)methyl]silane,trimethyl[(phenylselanyl)methyl]silane,C[Si](C)(C)C[Se]c1ccccc1,C[Si](C)(C)C[Se]c1ccccc1,"InChI=1/C10H16SeSi/c1-12(2,3)9-11-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3",C10H16SeSi,,,,,,QXFASNHOOXGHDD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.603,260-083-6,56269-44-4,(hexahydro-2H-azepin-2-ylidene)bis(phosphonic) acid,"azepane-2,2-diylbis(phosphonic acid)",OP(=O)(O)C1(CCCCCN1)P(=O)(O)O,OP(=O)(O)C1(CCCCCN1)P(=O)(O)O,"InChI=1/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)4-2-1-3-5-7-6/h7H,1-5H2,(H2,8,9,10)(H2,11,12,13)",C6H15NO6P2,,,,,,BYOBJKVGOIXVED-UHFFFAOYSA-N,,,,,,,,,,,
100.054.607,260-087-8,56271-99-9,"(±)-3-aminopropane-1,1,3-tricarboxylic acid","3-aminopropane-1,1,3-tricarboxylic acid",NC(CC(C(=O)O)C(=O)O)C(=O)O,NC(CC(C(=O)O)C(=O)O)C(=O)O,"InChI=1/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)",C6H9NO6,,,,,,UHBYWPGGCSDKFX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.608,260-088-3,56275-25-3,"2-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]-p-cresol","2-{[4-({4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}-4-methylphenol",Clc3nc(Nc2ccc(N=Nc1cc(C)ccc1O)cc2)nc(n3)N(CCO)CCO,Clc3nc(Nc2ccc(N=Nc1cc(C)ccc1O)cc2)nc(n3)N(CCO)CCO,"InChI=1/C20H22ClN7O3/c1-13-2-7-17(31)16(12-13)27-26-15-5-3-14(4-6-15)22-19-23-18(21)24-20(25-19)28(8-10-29)9-11-30/h2-7,12,29-31H,8-11H2,1H3,(H,22,23,24,25)",C20H22ClN7O3,,,,,,XIUWOZNEOQZJBS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.616,260-097-2,56289-76-0,[2-(2-butoxyethoxy)ethoxy]methanol,[2-(2-butoxyethoxy)ethoxy]methanol,CCCCOCCOCCOCO,CCCCOCCOCCOCO,"InChI=1/C9H20O4/c1-2-3-4-11-5-6-12-7-8-13-9-10/h10H,2-9H2,1H3",C9H20O4,,,,,,BLUJLHCLUUKUQV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.618,260-099-3,56290-94-9,"5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methylpropyl]amino]-1-hydroxyethyl]salicylamide","5-(2-{[3-(1,3-benzodioxol-5-yl)-1-methylpropyl]amino}-1-hydroxyethyl)-2-hydroxybenzamide",CC(CCc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(c3)C(=O)N,CC(CCc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(c3)C(=O)N,"InChI=1/C20H24N2O5/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)22-10-17(24)14-5-6-16(23)15(9-14)20(21)25/h4-9,12,17,22-24H,2-3,10-11H2,1H3,(H2,21,25)",C20H24N2O5,,,,,,MPQWSYJGFLADEW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.622,260-103-3,56305-13-6,"3,3,5-trimethyloxepan-2-one","3,3,5-trimethyloxepan-2-one",CC1CCOC(=O)C(C)(C)C1,CC1CCOC(=O)C(C)(C)C1,"InChI=1/C9H16O2/c1-7-4-5-11-8(10)9(2,3)6-7/h7H,4-6H2,1-3H3",C9H16O2,,,,,,JRFFZQFBDMFGRM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.750,260-244-0,56525-25-8,"Bis[2-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethyl] 3,3'-thiobispropionate","bis[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl] 3,3'-sulfanediyldipropanoate",CC(C)(C)c1cc(CCOC(=O)CCSCCC(=O)OCCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CCOC(=O)CCSCCC(=O)OCCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-17-43-31(39)15-19-45-20-16-32(40)44-18-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3",C38H58O6S,,,,,,BLJQWZOMWAIKOE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.753,260-247-7,56532-40-2,"Undec-10-enoic acid, compound with 2-aminoethanol (1:1)",undec-10-enoic acid - 2-aminoethanol (1:1),NCCO.OC(=O)CCCCCCCCC=C,NCCO.OC(=O)CCCCCCCCC=C,"InChI=1/C11H20O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;3-1-2-4/h2H,1,3-10H2,(H,12,13);4H,1-3H2",C11H20O2.C2H7NO,,,,,,GPOFRJKTYRFQLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.758,260-252-4,56539-66-3,3-methoxy-3-methylbutan-1-ol,3-methoxy-3-methylbutan-1-ol,COC(C)(C)CCO,COC(C)(C)CCO,"InChI=1/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3",C6H14O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10042,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.758,MFKRHJVUCZRDTF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.446,252-207-2,34773-66-5,(4-ethylphenyl)urea,1-(4-ethylphenyl)urea,CCc1ccc(NC(=O)N)cc1,CCc1ccc(NC(=O)N)cc1,"InChI=1/C9H12N2O/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)",C9H12N2O,,,,,,PCKCTBMQZSHNNS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.450,252-211-4,34782-06-4,1-(3-chloropropyl)piperazine dihydrochloride monohydrate,1-(3-chloropropyl)piperazine dihydrochloride hydrate,O.Cl.Cl.ClCCCN1CCNCC1,O.Cl.Cl.ClCCCN1CCNCC1,"InChI=1/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2",C7H15ClN2.2ClH,,,,,,SZJBSCDUZKUYQE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.454,252-216-1,34791-69-0,Adenine sulphate,9H-purin-6-amine sulfate,Nc1ncnc2[nH]cnc12.OS(=O)(=O)O,Nc1ncnc2[nH]cnc12.OS(=O)(=O)O,"InChI=1/C5H5N5.H2O4S/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)",C5H5N5.xH2O4S,,,,,,JCVRUTWJRIKTOS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.535,264-408-2,63675-74-1,6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene,6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene,COc1ccc(cc1)c2cc3ccc(OC)cc3s2,COc1ccc(cc1)c2cc3ccc(OC)cc3s2,"InChI=1/C16H14O2S/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10H,1-2H3",C16H14O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18784,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.535,HRWAGCVMOGWQJF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.828,251-526-4,33446-84-3,"1,1-dimethoxysilacyclobutane","1,1-dimethoxysiletane",CO[Si]1(CCC1)OC,CO[Si]1(CCC1)OC,"InChI=1/C5H12O2Si/c1-6-8(7-2)4-3-5-8/h3-5H2,1-2H3",C5H12O2Si,,,,,,GZUPUZMCIXFGMH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.830,251-529-0,33456-68-7,"p-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl]benzenesulphonamide","4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]benzenesulfonamide",COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)N)C(=O)C2(C)C,COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)N)C(=O)C2(C)C,"InChI=1/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)",C20H22N2O5S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7143,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.830,YJHGEYXLMLMFCF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.831,251-530-6,33462-81-6,Cyclopropyldiphenylsulphonium tetrafluoroborate,cyclopropyl(diphenyl)sulfonium tetrafluoroborate,F[B-](F)(F)F.C1CC1[S+](c2ccccc2)c3ccccc3,F[B-](F)(F)F.C1CC1[S+](c2ccccc2)c3ccccc3,"InChI=1/C15H15S.BF4/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14;2-1(3,4)5/h1-10,15H,11-12H2;/q+1;-1",C15H15S.BF4,,,,,,DWEYKSWKFYZEGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.841,251-541-6,33486-90-7,"1,3-dichloro-2-(methoxymethyl)benzene","1,3-dichloro-2-(methoxymethyl)benzene",COCc1c(Cl)cccc1Cl,COCc1c(Cl)cccc1Cl,"InChI=1/C8H8Cl2O/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3",C8H8Cl2O,,,,,,QBKBHXIQLAMKOB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.843,251-543-7,33496-48-9,Perfluorooctanoic anhydride,pentadecafluorooctanoic anhydride,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16F30O3/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1(47)49-2(48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46",C16F30O3,,,,,,NBEDTLDKOMPAQK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.856,251-557-3,33518-81-9,"Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium",calcium bis(3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate),CC(=O)C1=C(O[Ca]OC2=C(C(=O)C)C(=O)OC(=C2)C)C=C(C)OC1=O,CC(=O)C1=C(O[Ca]OC2=C(C(=O)C)C(=O)OC(=C2)C)C=C(C)OC1=O,"InChI=1/2C8H8O4.Ca/c2*1-4-3-6(10)7(5(2)9)8(11)12-4;/h2*3,10H,1-2H3;/q;;+2/p-2",C16H14CaO8,,,,,,MFBPHBWAQKFBOH-UHFFFAOYSA-L,,,,,,,,,,,
100.046.864,251-566-2,33531-28-1,1-butylpiperidin-3-ol,1-butylpiperidin-3-ol,CCCCN1CCCC(O)C1,CCCCN1CCCC(O)C1,"InChI=1/C9H19NO/c1-2-3-6-10-7-4-5-9(11)8-10/h9,11H,2-8H2,1H3",C9H19NO,,,,,,UISZWADDKPLXNW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.965,265-981-1,65916-16-7,5-aminonaphthyl sulphate,bis(5-amino-1-naphthyl) sulfate,Nc1cccc2c(OS(=O)(=O)Oc3cccc4c(N)cccc34)cccc12,Nc1cccc2c(OS(=O)(=O)Oc3cccc4c(N)cccc34)cccc12,"InChI=1/C20H16N2O4S/c21-17-9-1-7-15-13(17)5-3-11-19(15)25-27(23,24)26-20-12-4-6-14-16(20)8-2-10-18(14)22/h1-12H,21-22H2",C10H9NO.1/2H2O4S,,,,,,UZQNDGWMOYUYPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.972,265-989-5,65980-75-8,Dipotassium pentachlororhodate,dipotassium pentachlororhodate,[K+].[K+].Cl[Rh-](Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)Cl,[K+].[K+].Cl[Rh-](Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)Cl,"InChI=1/10ClH.2K.2Rh/h10*1H;;;;/q;;;;;;;;;;2*+1;2*+5/p-10/r2Cl5Rh.2K/c2*1-6(2,3,4)5;;/q;;2*+1",Cl5Rh.2K,,,,,,UULNPGKFZMOZAR-UHFFFAOYSA-D,,,,,,,,,,,
100.059.973,265-990-0,65980-78-1,Diammonium pentachlororhodate,diammonium pentachlororhodate,[NH4+].[NH4+].Cl[Rh-](Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Rh-](Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)Cl,"InChI=1/10ClH.2H3N.2Rh/h10*1H;2*1H3;;/q;;;;;;;;;;;;2*+5/p-8/r2Cl5Rh.2H3N/c2*1-6(2,3,4)5;;/h;;2*1H3/p+2",Cl5Rh.2H4N,,,,,,HHCSUHVCEVKNLA-UHFFFAOYSA-F,,,,,,,,,,,
100.059.975,265-992-1,65983-36-0,Methyl (R)-thiazolidine-4-carboxylate hydrochloride,"methyl 1,3-thiazolidine-4-carboxylate hydrochloride",Cl.COC(=O)[C@@H]1CSCN1,Cl.COC(=O)[C@@H]1CSCN1,"InChI=1/C5H9NO2S.ClH/c1-8-5(7)4-2-9-3-6-4;/h4,6H,2-3H2,1H3;1H",C5H9NO2S.ClH,,,,,,YEFOSJYXVLNYSL-WCCKRBBISA-N,,,,,,,,,,,
100.061.258,267-404-9,67859-57-8,2-mercaptoethyl 2-ethylhexanoate,2-sulfanylethyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCCS,CCCCC(CC)C(=O)OCCS,"InChI=1/C10H20O2S/c1-3-5-6-9(4-2)10(11)12-7-8-13/h9,13H,3-8H2,1-2H3",C10H20O2S,,,,,,GLZUYMAJJWRTGR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.663,262-349-7,60656-87-3,(phenylmethoxy)acetaldehyde,(benzyloxy)acetaldehyde,O=CCOCc1ccccc1,O=CCOCc1ccccc1,"InChI=1/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2",C9H10O2,,,,,,NFNOAHXEQXMCGT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.647,233-725-8,10333-14-9,"3,4-dihydro-6-methyl-2-pyridone","6-methyl-3,4-dihydropyridin-2(1H)-one",CC1=CCCC(=O)N1,CC1=CCCC(=O)N1,"InChI=1/C6H9NO/c1-5-3-2-4-6(8)7-5/h3H,2,4H2,1H3,(H,7,8)",C6H9NO,,,,,,AKOQCIDGAATASX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.650,233-728-4,10335-69-0,N-hydroxyoleamide,N-hydroxyoctadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NO,CCCCCCCC\C=C/CCCCCCCC(=O)NO,"InChI=1/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-21/h9-10,21H,2-8,11-17H2,1H3,(H,19,20)",C18H35NO2,,,,,,LTXHELLMCCEDJG-KTKRTIGZSA-N,,,,,,,,,,,
100.030.651,233-730-5,10338-96-2,Bromodichloromethylsilane,[bromo(dichloro)methyl]silane,[SiH3]C(Cl)(Cl)Br,[SiH3]C(Cl)(Cl)Br,"InChI=1/CH3BrCl2Si/c2-1(3,4)5/h5H3",CH3BrCl2Si,,,,,,WJSINMLUQVKSOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.772,241-566-0,17598-02-6,"7-methoxy-2,2-dimethylchromene","7-methoxy-2,2-dimethyl-2H-chromene",COc1ccc2C=CC(C)(C)Oc2c1,COc1ccc2C=CC(C)(C)Oc2c1,"InChI=1/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3",C12H14O2,,,,,,CPTJXGLQLVPIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.773,241-567-6,17598-15-1,(2-hydroxyethyl)ammonium hydrogen tartrate,2-hydroxyethanaminium hydrogen tartarate,[NH3+]CCO.OC(C(O)C(=O)[O-])C(=O)[O-],[NH3+]CCO.OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C4H6O6.C2H7NO/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);4H,1-3H2/p-1",C4H6O6.xC2H7NO,,,,,,RIAWEWHXZJUMCO-UHFFFAOYSA-M,,,,,,,,,,,
100.037.776,241-570-2,17600-13-4,"[[6-[bis(hydroxymethyl)amino]-1,3,5-triazine-2,4-diyl]diimino]bismethanol","({6-[bis(hydroxymethyl)amino]-1,3,5-triazine-2,4-diyl}diimino)dimethanol",OCNc1nc(NCO)nc(n1)N(CO)CO,OCNc1nc(NCO)nc(n1)N(CO)CO,"InChI=1/C7H14N6O4/c14-1-8-5-10-6(9-2-15)12-7(11-5)13(3-16)4-17/h14-17H,1-4H2,(H2,8,9,10,11,12)",C7H14N6O4,,,,,,ZHMXFGZXNLJXRI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.777,241-571-8,17600-72-5,2-methoxyphenetole,1-ethoxy-2-methoxybenzene,CCOc1ccccc1OC,CCOc1ccccc1OC,"InChI=1/C9H12O2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3",C9H12O2,,,,,,OMONCKYJLBVWOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.781,241-576-5,17601-96-6,2-amino-4-[(2-hydroxyethyl)sulphonyl]phenol,2-amino-4-[(2-hydroxyethyl)sulfonyl]phenol,Nc1cc(ccc1O)S(=O)(=O)CCO,Nc1cc(ccc1O)S(=O)(=O)CCO,"InChI=1/C8H11NO4S/c9-7-5-6(1-2-8(7)11)14(12,13)4-3-10/h1-2,5,10-11H,3-4,9H2",C8H11NO4S,,,,,,SNUWQQFUPOZCIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.788,241-583-3,17609-80-2,4-amino-3-chlorophenol,4-amino-3-chlorophenol,Nc1ccc(O)cc1Cl,Nc1ccc(O)cc1Cl,"InChI=1/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2",C6H6ClNO,,,,,,PNLPXABQLXSICH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.790,241-585-4,17610-24-1,"1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)ethan-1-one","1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone",CC(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C,CC(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C,"InChI=1/C17H24O/c1-11-9-14-15(10-13(11)12(2)18)17(5,6)8-7-16(14,3)4/h9-10H,7-8H2,1-6H3",C17H24O,,,,,,QZADYGNSQCABPT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.793,241-589-6,17614-69-6,Sodium p-isothiocyanatobenzenesulphonate monohydrate,sodium 4-isothiocyanatobenzenesulfonate hydrate,O.[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=C=S,O.[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=C=S,"InChI=1/C7H5NO3S2.Na.H2O/c9-13(10,11)7-3-1-6(2-4-7)8-5-12;;/h1-4H,(H,9,10,11);;1H2/q;+1;/p-1",C7H5NO3S2.Na,,,,,,TYLQYONISARSPL-UHFFFAOYSA-M,,,,,,,,,,,
100.037.794,241-590-1,17616-19-2,3-(diphenylmethoxy)-8-isopropyl-8-azoniabicyclo[3.2.1]octane methanesulphonate,3-(diphenylmethoxy)-8-isopropyl-8-azoniabicyclo[3.2.1]octane methanesulfonate,CC(C)[NH+]1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)[O-],CC(C)[NH+]1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)[O-],"InChI=1/C23H29NO.CH4O3S/c1-17(2)24-20-13-14-21(24)16-22(15-20)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5(2,3)4/h3-12,17,20-23H,13-16H2,1-2H3;1H3,(H,2,3,4)",C23H29NO.CH4O3S,,,,,,NLUJBZHBNXZLIL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.802,241-599-0,17624-07-6,"1,6-dihydro-6-thioxonicotinic acid","6-thioxo-1,6-dihydropyridine-3-carboxylic acid",OC(=O)C1=CNC(=S)C=C1,OC(=O)C1=CNC(=S)C=C1,"InChI=1/C6H5NO2S/c8-6(9)4-1-2-5(10)7-3-4/h1-3H,(H,7,10)(H,8,9)",C6H5NO2S,,,,,,JWWGTYCXARQFOT-UHFFFAOYSA-N,,,,,,,,,,,
100.037.803,241-600-4,17624-36-1,2-pyridyllithium,pyridin-2-yllithium,[Li]c1ccccn1,[Li]c1ccccn1,InChI=1/C5H4N.Li/c1-2-4-6-5-3-1;/h1-4H;/rC5H4LiN/c6-5-3-1-2-4-7-5/h1-4H,C5H4LiN,,,,,,COHLMUXFVGVBKX-UHFFFAOYSA-N,,,,,,,,,,,
100.037.804,241-602-5,17625-03-5,Sodium hydrogen m-sulphonatobenzoate,sodium hydrogen 3-sulfonatobenzoate,[Na+].[O-]C(=O)c1cccc(c1)S(=O)(=O)[O-],[Na+].[O-]C(=O)c1cccc(c1)S(=O)(=O)[O-],"InChI=1/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-2",C7H6O5S.Na,,,,,,KQHKITXZJDOIOD-UHFFFAOYSA-L,,,,,,,,,,,
100.037.807,241-605-1,17626-59-4,Sodium 5-(1-cyclohexen-1-yl)-5-ethylbarbiturate,"sodium 5-cyclohex-1-en-1-yl-5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1(C(=O)NC(=NC1=O)[O-])C2=CCCCC2,[Na+].CCC1(C(=O)NC(=NC1=O)[O-])C2=CCCCC2,"InChI=1/C12H16N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1",C12H16N2O3.Na,,,,,,MWLSTMSXTADQCI-UHFFFAOYSA-M,,,,,,,,,,,
100.058.375,264-232-6,63467-24-3,"N-[5-(ethylamino)-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]azo]-4-methylphenyl]acetamide","N-[5-(ethylamino)-2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]diazenyl}-4-methylphenyl]acetamide",CCSc2nnc(N=Nc1cc(C)c(NCC)cc1NC(C)=O)s2,CCSc2nnc(N=Nc1cc(C)c(NCC)cc1NC(C)=O)s2,"InChI=1/C15H20N6OS2/c1-5-16-11-8-12(17-10(4)22)13(7-9(11)3)18-19-14-20-21-15(24-14)23-6-2/h7-8,16H,5-6H2,1-4H3,(H,17,22)",C15H20N6OS2,,,,,,YVYGGPFQLVAPMM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.589,264-467-4,63808-77-5,3-bromo-2-oxobornane-8-sulphonic acid,"(3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)methanesulfonic acid",CC1(CS(=O)(=O)O)C2CCC1(C)C(=O)C2Br,CC1(CS(=O)(=O)O)C2CCC1(C)C(=O)C2Br,"InChI=1/C10H15BrO4S/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15/h6-7H,3-5H2,1-2H3,(H,13,14,15)",C10H15BrO4S,,,,,,MFEDKMBNKNOUPA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.592,264-471-6,63812-63-5,"N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazin-2-amine","N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine",CCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(Cl)nc(Cl)n2,CCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(Cl)nc(Cl)n2,"InChI=1/C16H27Cl2N5/c1-6-7-8-23(14-20-12(17)19-13(18)21-14)11-9-15(2,3)22-16(4,5)10-11/h11,22H,6-10H2,1-5H3",C16H27Cl2N5,,,,,,GFFYOTUTUOQYLA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.595,264-474-2,63815-72-5,"1,2-dimethyl-5-(trifluoromethyl)-1H-benzimidazole","1,2-dimethyl-5-(trifluoromethyl)-1H-benzimidazole",Cc1nc2cc(ccc2n1C)C(F)(F)F,Cc1nc2cc(ccc2n1C)C(F)(F)F,"InChI=1/C10H9F3N2/c1-6-14-8-5-7(10(11,12)13)3-4-9(8)15(6)2/h3-5H,1-2H3",C10H9F3N2,,,,,,QIOYCRVQIQHGRR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.601,264-481-0,63815-90-7,5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{5-[2-(3-benzyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",O=C(O)CN4C(=O)C(=CC=C2Oc3ccccc3N2Cc1ccccc1)SC4=S,O=C(O)CN4C(=O)C(=CC=C2Oc3ccccc3N2Cc1ccccc1)SC4=S,"InChI=1/C21H16N2O4S2/c24-19(25)13-23-20(26)17(29-21(23)28)10-11-18-22(12-14-6-2-1-3-7-14)15-8-4-5-9-16(15)27-18/h1-11H,12-13H2,(H,24,25)",C21H16N2O4S2,,,,,,DQAIDCLYYZYFRB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.602,264-482-6,63815-94-1,3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide,"3-ethyl-2-(2-{[3-(2-hydroxyethyl)-6-methoxy-5-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-6-methoxy-5-methyl-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4cc(C)c(OC)cc4sc3C=C(CC)C=C2Sc1cc(OC)c(C)cc1N2CCO,[I-].CC[n+]3c4cc(C)c(OC)cc4sc3C=C(CC)C=C2Sc1cc(OC)c(C)cc1N2CCO,"InChI=1/C27H33N2O3S2.HI/c1-7-19(13-26-28(8-2)20-11-17(3)22(31-5)15-24(20)33-26)14-27-29(9-10-30)21-12-18(4)23(32-6)16-25(21)34-27;/h11-16,30H,7-10H2,1-6H3;1H/q+1;/p-1",C27H33N2O3S2.I,,,,,,FQITWMPLHQNZBR-UHFFFAOYSA-M,,,,,,,,,,,
100.058.603,264-483-1,63815-95-2,3-(2-carboxyethyl)-2-[2-[(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide,"3-(2-carboxyethyl)-2-{2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-6-methoxy-5-methyl-1,3-benzothiazol-3-ium iodide",[I-].OC(=O)CC[n+]3c4cc(C)c(OC)cc4sc3C=C(CC)C=C2Sc1cc(OC)c(C)cc1N2CC,[I-].OC(=O)CC[n+]3c4cc(C)c(OC)cc4sc3C=C(CC)C=C2Sc1cc(OC)c(C)cc1N2CC,"InChI=1/C28H32N2O4S2.HI/c1-7-19(13-26-29(8-2)20-11-17(3)22(33-5)15-24(20)35-26)14-27-30(10-9-28(31)32)21-12-18(4)23(34-6)16-25(21)36-27;/h11-16H,7-10H2,1-6H3;1H",C28H33N2O4S2.I,,,,,,MSHWWNISDBKPTN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.618,264-499-9,63833-73-8,(2-hydroxyethyl)(methyl)[2-(stearoyloxy)ethyl]ammonium methyl sulphate,2-hydroxy-N-methyl-N-[2-(stearoyloxy)ethyl]ethanaminium methyl sulfate,CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](C)CCO.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](C)CCO.COS(=O)(=O)[O-],"InChI=1/C23H47NO3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-22-20-24(2)19-21-25;1-5-6(2,3)4/h25H,3-22H2,1-2H3;1H3,(H,2,3,4)",C23H47NO3.CH4O4S,,,,,,HHYKNKLBRWWVOD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.619,264-500-2,63833-76-1,"4,8,11,15-tetraazaoctadecane-1,18-diamine","4,8,11,15-tetraazaoctadecane-1,18-diamine",NCCCNCCCNCCNCCCNCCCN,NCCCNCCCNCCNCCCNCCCN,"InChI=1/C14H36N6/c15-5-1-7-17-9-3-11-19-13-14-20-12-4-10-18-8-2-6-16/h17-20H,1-16H2",C14H36N6,,,,,,POXLCEVCOYIZNU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.620,264-501-8,63833-78-3,5-[(2-cyano-4-nitrophenyl)azo]-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile,5-[(2-cyano-4-nitrophenyl)diazenyl]-6-[(2-hydroxyethyl)amino]-4-methyl-2-{[3-(2-phenoxyethoxy)propyl]amino}nicotinonitrile,[O-][N+](=O)c3ccc(N=Nc2c(C)c(C#N)c(NCCCOCCOc1ccccc1)nc2NCCO)c(C#N)c3,[O-][N+](=O)c3ccc(N=Nc2c(C)c(C#N)c(NCCCOCCOc1ccccc1)nc2NCCO)c(C#N)c3,"InChI=1/C27H28N8O5/c1-19-23(18-29)26(30-10-5-13-39-14-15-40-22-6-3-2-4-7-22)32-27(31-11-12-36)25(19)34-33-24-9-8-21(35(37)38)16-20(24)17-28/h2-4,6-9,16,36H,5,10-15H2,1H3,(H2,30,31,32)",C27H28N8O5,,,,,,BIDDYYRWQMXLEP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.045,251-765-4,33965-80-9,3-chloro-2-hydroxypropiononitrile,3-chloro-2-hydroxypropanenitrile,OC(CCl)C#N,OC(CCl)C#N,"InChI=1/C3H4ClNO/c4-1-3(6)2-5/h3,6H,1H2",C3H4ClNO,,,,,,RDXMEUDCEWSFDP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.456,252-218-2,34793-28-7,"3-(1H-imidazol-1-yl)propane-1,2-diol","3-(1H-imidazol-1-yl)propane-1,2-diol",OCC(O)Cn1ccnc1,OCC(O)Cn1ccnc1,"InChI=1/C6H10N2O2/c9-4-6(10)3-8-2-1-7-5-8/h1-2,5-6,9-10H,3-4H2",C6H10N2O2,,,,,,RHLDLEHHTWLRFG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.461,252-224-5,34813-62-2,"2-methylpentane-1,5-diyl diisocyanate","1,5-diisocyanato-2-methylpentane",CC(CCCN=C=O)CN=C=O,CC(CCCN=C=O)CN=C=O,"InChI=1/C8H12N2O2/c1-8(5-10-7-12)3-2-4-9-6-11/h8H,2-5H2,1H3",C8H12N2O2,,,,,,AHBNSOZREBSAMG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.466,252-229-2,34822-90-7,Cyclopentadienylthallium,"cyclopenta-1,3-dien-1-ylthallium",[Tl]C1=CC=CC1,[Tl]C1=CC=CC1,"InChI=1/C5H5.Tl/c1-2-4-5-3-1;/h1-3H,4H2;/rC5H5Tl/c6-5-3-1-2-4-5/h1-3H,4H2",C5H5Tl,,,,,,BJAJOYQGRSEFPS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.482,252-247-0,34846-44-1,3-(bromomethyl)thiophene,3-(bromomethyl)thiophene,BrCc1ccsc1,BrCc1ccsc1,"InChI=1/C5H5BrS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2",C5H5BrS,,,,,,KBWHYRUAHXHHFO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.311,264-162-6,63449-91-2,N-(3-thienylmethyl)pyridin-2-amine,N-(3-thienylmethyl)pyridin-2-amine,C(Nc1ccccn1)c2ccsc2,C(Nc1ccccn1)c2ccsc2,"InChI=1/C10H10N2S/c1-2-5-11-10(3-1)12-7-9-4-6-13-8-9/h1-6,8H,7H2,(H,11,12)",C10H10N2S,,,,,,FFWIYCMLEXESOW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.321,264-173-6,63450-44-2,2-acetyl-1-naphthyl benzoate,2-acetyl-1-naphthyl benzoate,CC(=O)c1ccc2ccccc2c1OC(=O)c3ccccc3,CC(=O)c1ccc2ccccc2c1OC(=O)c3ccccc3,"InChI=1/C19H14O3/c1-13(20)16-12-11-14-7-5-6-10-17(14)18(16)22-19(21)15-8-3-2-4-9-15/h2-12H,1H3",C19H14O3,,,,,,DPEZTQNZBJBTSI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.330,264-183-0,63450-78-2,Ethyl 2-[bis(4-hydroxyphenyl)methyl]benzoate,ethyl 2-[bis(4-hydroxyphenyl)methyl]benzoate,CCOC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,CCOC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,"InChI=1/C22H20O4/c1-2-26-22(25)20-6-4-3-5-19(20)21(15-7-11-17(23)12-8-15)16-9-13-18(24)14-10-16/h3-14,21,23-24H,2H2,1H3",C22H20O4,,,,,,ICEYQDSJXDMZGH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.334,264-187-2,63451-15-0,N-[2-[(2-hydroxyethyl)amino]ethyl]octanamide,N-{2-[(2-hydroxyethyl)amino]ethyl}octanamide,CCCCCCCC(=O)NCCNCCO,CCCCCCCC(=O)NCCNCCO,"InChI=1/C12H26N2O2/c1-2-3-4-5-6-7-12(16)14-9-8-13-10-11-15/h13,15H,2-11H2,1H3,(H,14,16)",C12H26N2O2,,,,,,SSZNVFVZGVRQFX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.345,264-199-8,63451-40-1,"4-(phenylimino)cyclohexa-2,5-dien-1-one oxime, sodium salt",-,[Na+].ON=C/2\\C=C/C(=N/c1ccccc1)\\C=C\\2,[Na+].ON=C/2\C=C/C(=N/c1ccccc1)\C=C\2,"InChI=1/C12H10N2O.Na/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,15H;/q;+1",C12H10N2O.Na,,,,,,ZSLQKRMXHKNROC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.349,264-203-8,63451-51-4,Bis(1-methylpentadecyl)hydroquinone,"2,3-bis(1-methylpentadecyl)benzene-1,4-diol",CCCCCCCCCCCCCCC(C)c1c(O)ccc(O)c1C(C)CCCCCCCCCCCCCC,CCCCCCCCCCCCCCC(C)c1c(O)ccc(O)c1C(C)CCCCCCCCCCCCCC,"InChI=1/C38H70O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33(3)37-35(39)31-32-36(40)38(37)34(4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-34,39-40H,5-30H2,1-4H3",C38H70O2,,,,,,HXKMMQQYUZPSTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.351,264-205-9,63451-53-6,(1-methylpentadecyl)(1-methyltridecyl)hydroquinone,"2-(1-methylpentadecyl)-3-(1-methyltridecyl)benzene-1,4-diol",CCCCCCCCCCCCCCC(C)c1c(O)ccc(O)c1C(C)CCCCCCCCCCCC,CCCCCCCCCCCCCCC(C)c1c(O)ccc(O)c1C(C)CCCCCCCCCCCC,"InChI=1/C36H66O2/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-32(4)36-34(38)30-29-33(37)35(36)31(3)27-25-23-21-19-16-14-12-10-8-6-2/h29-32,37-38H,5-28H2,1-4H3",C36H66O2,,,,,,WIMIJTPDFXENMF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.355,264-210-6,63458-78-6,3-mercaptoheptan-4-one,3-sulfanylheptan-4-one,CCCC(=O)C(S)CC,CCCC(=O)C(S)CC,"InChI=1/C7H14OS/c1-3-5-6(8)7(9)4-2/h7,9H,3-5H2,1-2H3",C7H14OS,,,,,,FUMNWNPDMTVHCC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.246,266-291-3,66264-96-8,4-hydroxy-a-[[[3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-3-(methylthio)benzyl alcohol hydrochloride,4-(1-hydroxy-2-{[3-(4-methoxyphenyl)-1-methylpropyl]amino}ethyl)-2-(methylsulfanyl)phenol hydrochloride,Cl.COc1ccc(CCC(C)NCC(O)c2ccc(O)c(SC)c2)cc1,Cl.COc1ccc(CCC(C)NCC(O)c2ccc(O)c(SC)c2)cc1,"InChI=1/C20H27NO3S.ClH/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H",C20H27NO3S.ClH,,,,,,MGFTUUJSTPDBSO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.248,266-293-4,66270-36-8,"2,2,2-trichloro-1,1-dimethylethyl chloroformate","2,2,2-trichloro-1,1-dimethylethyl chlorocarbonate",CC(C)(OC(=O)Cl)C(Cl)(Cl)Cl,CC(C)(OC(=O)Cl)C(Cl)(Cl)Cl,"InChI=1/C5H6Cl4O2/c1-4(2,5(7,8)9)11-3(6)10/h1-2H3",C5H6Cl4O2,,,,,,GMELMFSDPDSXOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.881,266-989-8,67746-30-9,"(E)-1,1-diethoxyhex-2-ene","1,1-diethoxyhex-2-ene",CCC\\C=C\\C(OCC)OCC,CCC\C=C\C(OCC)OCC,"InChI=1/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3",C10H20O2,,,,,,WMQKYHTZGYIHHD-CMDGGOBGSA-N,,,,,,,,,,,
100.056.671,262-358-6,60662-80-8,"Disodium 1-[[4-[[(2,6-dimethyl-4-pyrimidinyl)amino]sulphonyl]phenyl]amino]-3-phenylpropane-1,3-disulphonate","disodium 1-({4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}amino)-3-phenylpropane-1,3-disulfonate",[Na+].[Na+].Cc1cc(NS(=O)(=O)c2ccc(NC(CC(c3ccccc3)S(=O)(=O)[O-])S(=O)(=O)[O-])cc2)nc(C)n1,[Na+].[Na+].Cc1cc(NS(=O)(=O)c2ccc(NC(CC(c3ccccc3)S(=O)(=O)[O-])S(=O)(=O)[O-])cc2)nc(C)n1,"InChI=1/C21H24N4O8S3.2Na/c1-14-12-20(23-15(2)22-14)25-34(26,27)18-10-8-17(9-11-18)24-21(36(31,32)33)13-19(35(28,29)30)16-6-4-3-5-7-16;;/h3-12,19,21,24H,13H2,1-2H3,(H,22,23,25)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C21H24N4O8S3.2Na,,,,,,NTCAWMHJQWSGTF-UHFFFAOYSA-L,,,,,,,,,,,
100.056.675,262-362-8,60668-24-8,Alafosfalin,N-(1-phosphonoethyl)-L-alaninamide,C[C@H](N)C(=O)N[C@@H](C)P(=O)(O)O,C[C@H](N)C(=O)N[C@@H](C)P(=O)(O)O,"InChI=1/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)",C5H13N2O4P,,,,,,BHAYDBSYOBONRV-IUYQGCFVSA-N,,,,,,,,,,,
100.056.680,262-368-0,60672-82-4,"Estr-4-en-3-one, 17-(sulfooxy)-, sodium salt, (17ß)-",-,[Na+].C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OS(=O)(=O)O,[Na+].C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OS(=O)(=O)O,"InChI=1/C18H26O5S.Na/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22;/h10,13-17H,2-9H2,1H3,(H,20,21,22);/q;+1",C18H26O5S.Na,,,,,,JHAJPDCWGNULRU-OGVPJBRJSA-N,,,,,,,,,,,
100.056.683,262-371-7,60676-73-5,Vanadium(4+) tetraformate,vanadium(4+) tetraformate,[V+4].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O,[V+4].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O,"InChI=1/4CH2O2.V/c4*2-1-3;/h4*1H,(H,2,3);/q;;;;+4/p-4",CH2O2.1/4V,,,,,,WWQJTSLTGYQNFG-UHFFFAOYSA-J,,,,,,,,,,,
100.056.692,262-381-1,60696-24-4,1-(hydroxymethyl)-3-octadecylurea,1-(hydroxymethyl)-3-octadecylurea,CCCCCCCCCCCCCCCCCCNC(=O)NCO,CCCCCCCCCCCCCCCCCCNC(=O)NCO,"InChI=1/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(24)22-19-23/h23H,2-19H2,1H3,(H2,21,22,24)",C20H42N2O2,,,,,,AZJVWYOHZJOLDE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.693,262-382-7,60699-51-6,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecanol","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecan-1-ol",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H5F29O/c17-3(18,1-2-46)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h46H,1-2H2",C16H5F29O,,,,,,ZDUOTHMDVYXZBS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.698,262-387-4,60717-38-6,Ethylammonium dihydrogen phosphate,ethanaminium dihydrogen phosphate,CC[NH3+].[O-]P(=O)([O-])[O-],CC[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/C2H7N.H3O4P/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H3,1,2,3,4)/p-2",C2H7N.H3O4P,,,,,,ARPJZLLWCWXWJQ-UHFFFAOYSA-L,,,,,,,,,,,
100.056.702,262-392-1,60727-71-1,(E)-1-(1-cyclododecen-1-yl)ethan-1-one,1-cyclododec-1-en-1-ylethanone,CC(=O)C1=CCCCCCCCCCC1,CC(=O)C1=CCCCCCCCCCC1,"InChI=1/C14H24O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h11H,2-10,12H2,1H3",C14H24O,,,,,,MLCBOXBUBJRZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.557,264-432-3,63729-42-0,"2-(2,5-dihydro-3,4-dimethyl-2,5-dioxo-1H-pyrrol-1-yl)ethyl methacrylate","2-(3,4-dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl methacrylate",CC(=C)C(=O)OCCN1C(=O)C(=C(C)C1=O)C,CC(=C)C(=O)OCCN1C(=O)C(=C(C)C1=O)C,"InChI=1/C12H15NO4/c1-7(2)12(16)17-6-5-13-10(14)8(3)9(4)11(13)15/h1,5-6H2,2-4H3",C12H15NO4,,,,,,MTFZCGPANOZASK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.569,264-445-4,63758-79-2,Indalpine,3-(2-piperidin-4-ylethyl)-1H-indole,C(Cc1c[nH]c2ccccc12)C3CCNCC3,C(Cc1c[nH]c2ccccc12)C3CCNCC3,"InChI=1/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2",C15H20N2,,,,,,SADQVAVFGNTEOD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.576,264-453-8,63768-01-4,1-(butylamino)-4-hydroxyanthraquinone,"1-(butylamino)-4-hydroxy-9,10-anthraquinone",CCCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,CCCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H17NO3/c1-2-3-10-19-13-8-9-14(20)16-15(13)17(21)11-6-4-5-7-12(11)18(16)22/h4-9,19-20H,2-3,10H2,1H3",C18H17NO3,,,,,,MLZFWBQTQKBDSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.000,251-716-7,33884-43-4,"2-(2-bromoethyl)-1,3-dioxane","2-(2-bromoethyl)-1,3-dioxane",BrCCC1OCCCO1,BrCCC1OCCCO1,"InChI=1/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2",C6H11BrO2,,,,,,WMDHQEHPOVOEOG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.002,251-718-8,33885-52-8,"a,a,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-propionaldehyde","3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2,2-dimethylpropanal",CC(C)(CC1=CCC2CC1C2(C)C)C=O,CC(C)(CC1=CCC2CC1C2(C)C)C=O,"InChI=1/C14H22O/c1-13(2,9-15)8-10-5-6-11-7-12(10)14(11,3)4/h5,9,11-12H,6-8H2,1-4H3",C14H22O,,,,,,GVSTVIASYRSHQM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.011,251-728-2,33899-46-6,4-chloro-2-tetradecylphenol,4-chloro-2-tetradecylphenol,CCCCCCCCCCCCCCc1cc(Cl)ccc1O,CCCCCCCCCCCCCCc1cc(Cl)ccc1O,"InChI=1/C20H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(21)15-16-20(18)22/h15-17,22H,2-14H2,1H3",C20H33ClO,,,,,,VKSJURFRQSREMB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.015,251-732-4,33907-46-9,2-hydroxyethyl hydroxyoctadecanoate,2-hydroxyethyl 2-hydroxyoctadecanoate,CCCCCCCCCCCCCCCCC(O)C(=O)OCCO,CCCCCCCCCCCCCCCCC(O)C(=O)OCCO,"InChI=1/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20(23)24-18-17-21/h19,21-22H,2-18H2,1H3",C20H40O4,,,,,,MCLDRVCSUVVTDB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.812,241-610-9,17627-44-0,"6-methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-diene","4-(1,5-dimethylhexa-1,4-dien-1-yl)-1-methylcyclohexene",C/C(C)=C\\CC=C(C)C1C\\C=C(\\C)CC1,C/C(C)=C\CC=C(C)C1C\C=C(\C)CC1,"InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3",C15H24,,,,,,YHBUQBJHSRGZNF-UHFFFAOYSA-N,,,,,,,,,,,
100.035.061,238-584-6,14548-44-8,4-chlorophenyl pyridin-3-yl ketone,(4-chlorophenyl)(pyridin-3-yl)methanone,Clc1ccc(cc1)C(=O)c2cccnc2,Clc1ccc(cc1)C(=O)c2cccnc2,InChI=1/C12H8ClNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H,C12H8ClNO,,,,,,VZWGUDFNQIAHEY-UHFFFAOYSA-N,,,,,,,,,,,
100.035.070,238-594-0,14548-85-7,Diammonium fumarate,diammonium but-2-enedioate,[NH4+].[NH4+].[O-]C(=O)\\C=C\\C(=O)[O-],[NH4+].[NH4+].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);2*1H3",C4H4O4.2H3N,,,,,,CKKXWJDFFQPBQL-SEPHDYHBSA-N,,,,,,,,,,,
100.035.088,238-613-2,14572-89-5,4-amino-a-methylbenzyl alcohol,1-(4-aminophenyl)ethanol,CC(O)c1ccc(N)cc1,CC(O)c1ccc(N)cc1,"InChI=1/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3",C8H11NO,,,,,,JDEYBJHOTWGYFE-UHFFFAOYSA-N,,,,,,,,,,,
100.035.090,238-615-3,14575-59-8,"1-phenyl-1H-1,2,4-triazole-3,5-diamine","1-phenyl-1H-1,2,4-triazole-3,5-diamine",Nc1nc(N)n(n1)c2ccccc2,Nc1nc(N)n(n1)c2ccccc2,"InChI=1/C8H9N5/c9-7-11-8(10)13(12-7)6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12)",C8H9N5,,,,,,QCYJCZJMOAWVPC-UHFFFAOYSA-N,,,,,,,,,,,
100.035.095,238-621-6,14579-03-4,Trichlorocyclopentylsilane,trichloro(cyclopentyl)silane,Cl[Si](Cl)(Cl)C1CCCC1,Cl[Si](Cl)(Cl)C1CCCC1,"InChI=1/C5H9Cl3Si/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2",C5H9Cl3Si,,,,,,FCMZRNUHEXJWGB-UHFFFAOYSA-N,,,,,,,,,,,
100.035.097,238-623-7,14580-22-4,"2-(2-chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(2-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2ccccc2Cl,CC1=NN(C(=O)C1)c2ccccc2Cl,"InChI=1/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3",C10H9ClN2O,,,,,,CWESERWNUIUBJU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.106,238-633-1,14590-13-7,Ammonium cobalt phosphate,ammonium cobalt(2+) phosphate,[NH4+].[Co+2].[O-]P(=O)([O-])[O-],[NH4+].[Co+2].[O-]P(=O)([O-])[O-],"InChI=1/Co.H3N.H3O4P/c;;1-5(2,3)4/h;1H3;(H3,1,2,3,4)/q+2;;/p-2",Co.H3N.H3O4P,,,,,,FCXHHGTWMFGYPP-UHFFFAOYSA-L,,,,,,,,,,,
100.034.683,238-168-4,14276-84-7,2-ethylnonan-1-oic acid,2-ethylnonanoic acid,CCCCCCCC(CC)C(=O)O,CCCCCCCC(CC)C(=O)O,"InChI=1/C11H22O2/c1-3-5-6-7-8-9-10(4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)",C11H22O2,,,,,,YRCGAHTZOXPQPR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.697,238-184-1,14284-36-7,Aluminium caesium bis(sulphate),aluminium caesium bis(sulphate),[Al+3].[Cs+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Al+3].[Cs+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Al.Cs.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",Al.Cs.2H2O4S,,,,,,YRAMACNQEYDINL-UHFFFAOYSA-J,,,,,,,,,,,
100.034.706,238-194-6,14284-94-7,"Tris(pentane-2,4-dionato-O,O')scandium",scandium tris(4-oxopent-2-en-2-olate),CC(=O)C=C(C)O[Sc](OC(=CC(=O)C)C)OC(=CC(=O)C)C,CC(=O)C=C(C)O[Sc](OC(=CC(=O)C)C)OC(=CC(=O)C)C,"InChI=1/3C5H8O2.Sc/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3",C15H21O6Sc,,,,,,QEXWAFFWPWSBON-UHFFFAOYSA-K,,,,,,,,,,,
100.034.720,238-209-6,14288-70-1,"1-[2,5-dimethyl-4-(2,5-dimethylphenylazo)phenylazo]-2-naphthol","1-({4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl}diazenyl)-2-naphthol",Cc4cc(N=Nc1cc(C)c(cc1C)N=Nc2c3ccccc3ccc2O)c(C)cc4,Cc4cc(N=Nc1cc(C)c(cc1C)N=Nc2c3ccccc3ccc2O)c(C)cc4,"InChI=1/C26H24N4O/c1-16-9-10-17(2)22(13-16)27-28-23-14-19(4)24(15-18(23)3)29-30-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3",C26H24N4O,,,,,,NPGIHFRTRXVWOY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.723,238-212-2,14289-65-7,Allyl phenethyl ether,[2-(allyloxy)ethyl]benzene,C=CCOCCc1ccccc1,C=CCOCCc1ccccc1,"InChI=1/C11H14O/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2",C11H14O,,,,,,QNBZQCMSRGAZCR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.658,233-737-3,10340-88-2,"1,2-dimethoxyethylene","1,2-dimethoxyethene",CO\\C=C\\OC,CO\C=C\OC,"InChI=1/C4H8O2/c1-5-3-4-6-2/h3-4H,1-2H3",C4H8O2,,,,,,SJQBHNHASPQACB-ONEGZZNKSA-N,,,,,,,,,,,
100.030.659,233-738-9,10340-91-7,Benzyl isocyanide,(isocyanomethyl)benzene,[C-]#[N+]Cc1ccccc1,[C-]#[N+]Cc1ccccc1,"InChI=1/C8H7N/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2",C8H7N,,,,,,RIWNFZUWWRVGEU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.660,233-739-4,10341-03-4,Ditetradecyl fumarate,ditetradecyl but-2-enedioate,CCCCCCCCCCCCCCOC(=O)\\C=C\\C(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCCCCCCCC,"InChI=1/C32H60O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,29-30H2,1-2H3",C32H60O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13870,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.660,DYVHFPDDBMMBAX-BYYHNAKLSA-N,,,,,,,,,,,
100.030.664,233-744-1,10342-60-6,1-isobutyl-4-nitrobenzene,1-isobutyl-4-nitrobenzene,CC(C)Cc1ccc(cc1)[N+](=O)[O-],CC(C)Cc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H13NO2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3",C10H13NO2,,,,,,DCYMLRJKFWGXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.665,233-745-7,10342-83-3,p-bromopropiophenone,1-(4-bromophenyl)propan-1-one,CCC(=O)c1ccc(Br)cc1,CCC(=O)c1ccc(Br)cc1,"InChI=1/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",C9H9BrO,,,,,,UOMOSYFPKGQIKI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.048,251-769-6,33973-59-0,"2,2,6,6-tetramethylpiperidin-4-one hydrochloride","2,2,6,6-tetramethylpiperidin-4-one hydrochloride",Cl.CC1(C)CC(=O)CC(C)(C)N1,Cl.CC1(C)CC(=O)CC(C)(C)N1,"InChI=1/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H",C9H17NO.ClH,,,,,,ZXNWYMNKYXUZGM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.055,251-776-4,33991-29-6,Trimethylcumene,"1-isopropyl-2,3,4-trimethylbenzene",CC(C)c1ccc(C)c(C)c1C,CC(C)c1ccc(C)c(C)c1C,"InChI=1/C12H18/c1-8(2)12-7-6-9(3)10(4)11(12)5/h6-8H,1-5H3",C12H18,,,,,,QHOPYXBAXVDHDW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.060,251-782-7,34000-39-0,"(E)-2',4,4'-trihydroxy-3-methoxychalcone","1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one",COc1cc(\\C=C\\C(=O)c2ccc(O)cc2O)ccc1O,COc1cc(\C=C\C(=O)c2ccc(O)cc2O)ccc1O,"InChI=1/C16H14O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h2-9,17,19-20H,1H3",C16H14O5,,,,,,BWFSBUVPIAIXKJ-QHHAFSJGSA-N,,,,,,,,,,,
100.047.061,251-783-2,34004-36-9,"(2,3-dihydroxypropyl)trimethylammonium chloride","2,3-dihydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)CC(O)CO,[Cl-].C[N+](C)(C)CC(O)CO,"InChI=1/C6H16NO2.ClH/c1-7(2,3)4-6(9)5-8;/h6,8-9H,4-5H2,1-3H3;1H/q+1;/p-1",C6H16NO2.Cl,,,,,,YSRQRFIVCMIJJE-UHFFFAOYSA-M,,,,,,,,,,,
100.047.073,251-796-3,34018-28-5,Lead dibromate,-,[Pb+2].[O-]Br(=O)=O.[O-]Br(=O)=O,[Pb+2].[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/2BrHO3.Pb.2H/c2*2-1(3)4;;;/h2*(H,2,3,4);;;/q;;+4;;/p-2/r2BrHO3.H2Pb/c2*2-1(3)4;/h2*(H,2,3,4);1H2/q;;+4/p-2",BrHO3.1/2Pb,,,,,,RDQAROAGXMVOKC-UHFFFAOYSA-L,,,,,,,,,,,
100.047.081,251-806-6,34040-64-7,Methyl 4-(chloromethyl)benzoate,methyl 4-(chloromethyl)benzoate,COC(=O)c1ccc(CCl)cc1,COC(=O)c1ccc(CCl)cc1,"InChI=1/C9H9ClO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3",C9H9ClO2,,,,,,SATDLKYRVXFXRE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.083,251-808-7,34042-85-8,Sudoxicam,"4-hydroxy-2-methyl-N-1,3-thiazol-2-yl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide",CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3nccs3,CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3nccs3,"InChI=1/C13H11N3O4S2/c1-16-10(12(18)15-13-14-6-7-21-13)11(17)8-4-2-3-5-9(8)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)",C13H11N3O4S2,,,,,,SYCHUQUJURZQMO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.085,251-810-8,34047-39-7,4-(methylthio)butan-2-one,4-(methylsulfanyl)butan-2-one,CSCCC(=O)C,CSCCC(=O)C,"InChI=1/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3",C5H10OS,,,,,,DRGHCRKOWMAZAO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.087,251-812-9,34066-95-0,N-(2-aminoethyl)-N'-methylethylenediamine,"N-(2-aminoethyl)-N'-methylethane-1,2-diamine",CNCCNCCN,CNCCNCCN,"InChI=1/C5H15N3/c1-7-4-5-8-3-2-6/h7-8H,2-6H2,1H3",C5H15N3,,,,,,QATBRNFTOCXULG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.088,251-813-4,34066-96-1,"N-(2-aminoethyl)-N,N'-dimethylethylenediamine","N-(2-aminoethyl)-N,N'-dimethylethane-1,2-diamine",CNCCN(C)CCN,CNCCN(C)CCN,"InChI=1/C6H17N3/c1-8-4-6-9(2)5-3-7/h8H,3-7H2,1-2H3",C6H17N3,,,,,,BYWDOHJOAPKMOF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.089,251-815-5,34067-44-2,"N-(aminothioxomethyl)-2,2,2-trifluoroacetamide","N-carbamothioyl-2,2,2-trifluoroacetamide",NC(=S)NC(=O)C(F)(F)F,NC(=S)NC(=O)C(F)(F)F,"InChI=1/C3H3F3N2OS/c4-3(5,6)1(9)8-2(7)10/h(H3,7,8,9,10)",C3H3F3N2OS,,,,,,IUOYQVWAOBUMLY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.092,251-818-1,34071-95-9,Succinimido 3-(4-hydroxyphenyl)propionate,"1-{[3-(4-hydroxyphenyl)propanoyl]oxy}pyrrolidine-2,5-dione",Oc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1,Oc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1,"InChI=1/C13H13NO5/c15-10-4-1-9(2-5-10)3-8-13(18)19-14-11(16)6-7-12(14)17/h1-2,4-5,15H,3,6-8H2",C13H13NO5,,,,,,KYRUKRFVOACELK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.309,267-460-4,67874-24-2,"6'-methylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazole]","6'-methylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzothiazole]",Cc1nc2cc3OC4(CCCCC4)Oc3cc2s1,Cc1nc2cc3OC4(CCCCC4)Oc3cc2s1,"InChI=1/C14H15NO2S/c1-9-15-10-7-11-12(8-13(10)18-9)17-14(16-11)5-3-2-4-6-14/h7-8H,2-6H2,1H3",C14H15NO2S,,,,,,TYNPXUCEDICLGT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.311,267-463-0,67874-26-4,"Disodium 5-[[4-[[3-[[3-[(2,4-diaminophenyl)azo]-2-hydroxy-5-sulphonatophenyl]azo]-2,6-dihydroxyphenyl]azo]phenyl]azo]salicylate","disodium 5-[(4-{[3-({3-[(2,4-diaminophenyl)diazenyl]-2-hydroxy-5-sulfonatophenyl}diazenyl)-2,6-dihydroxyphenyl]diazenyl}phenyl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].Oc3c(ccc(O)c3N=Nc2ccc(N=Nc1cc(C([O-])=O)c(O)cc1)cc2)N=Nc5cc(cc(N=Nc4ccc(N)cc4N)c5O)S([O-])(=O)=O,[Na+].[Na+].Oc3c(ccc(O)c3N=Nc2ccc(N=Nc1cc(C([O-])=O)c(O)cc1)cc2)N=Nc5cc(cc(N=Nc4ccc(N)cc4N)c5O)S([O-])(=O)=O,"InChI=1/C31H24N10O9S.2Na/c32-15-1-7-22(21(33)11-15)37-39-24-13-19(51(48,49)50)14-25(29(24)44)40-38-23-8-10-27(43)28(30(23)45)41-35-17-4-2-16(3-5-17)34-36-18-6-9-26(42)20(12-18)31(46)47;;/h1-14,42-45H,32-33H2,(H,46,47)(H,48,49,50);;/q;2*+1/p-2",C31H24N10O9S.2Na,,,,,,JWLRZEVOQGZBHK-UHFFFAOYSA-L,,,,,,,,,,,
100.060.885,266-994-5,67747-09-5,"N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide","N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide",CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2,CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2,"InChI=1/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3",C15H16Cl3N3O2,,,,,,TVLSRXXIMLFWEO-UHFFFAOYSA-N,Positive,SM838902;EA009601|EA009602|EA009603|EA009604|EA009605|EA009606|EA009607|EA009608|EA009609|EA009610|EA009611|EA009612|EA009613|EA009614;ET200001|ET200002|ET200003|ET200004;UF405803|UF405804,[M+H]+;[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD20|HCD30|HCD40|HCD60;CID35|CID55,308.0008:70.0288:70.0652;308.0006:265.9532|308.0003:265.9539:376.0397|308.0003:70.0287:265.9533|70.0651:70.0287:222.9479|70.0288:70.0652:194.9163|70.0287:70.0651:166.9215|166.9215:70.0287:132.9605|308.0005:265.9534:376.0376|308.0003:70.0287:265.9535|70.0651:70.0287:222.9478|70.0287:70.0651:194.9164|70.0287:70.0651:166.9216|166.9216:70.0287:132.9606|308.0004:265.9533;308.0007:265.9538:70.0288|308.0007:70.0288:265.9538|70.0288:70.0652:194.9166|70.0288:70.0652:166.9217;282.0213:308.0004:180.1133|282.0212:308.0009:180.1132,CASMI_2016;Eawag;Eawag_Additional_Specs;UFZ,,,,,
100.054.760,260-255-0,56548-64-2,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)",C19H21BrN6O6,,,,,,QRKGKRSGMAWUMO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.775,260-271-8,56585-57-0,Ammonium hydrogen 2-sulphinatobenzoate,ammonium hydrogen 2-sulfinatobenzoate,[NH4+].[O-]C(=O)c1ccccc1S(=O)[O-],[NH4+].[O-]C(=O)c1ccccc1S(=O)[O-],"InChI=1/C7H6O4S.H3N/c8-7(9)5-3-1-2-4-6(5)12(10)11;/h1-4H,(H,8,9)(H,10,11);1H3/p-1",C7H6O4S.H3N,,,,,,HBWKVUZPYGVAIT-UHFFFAOYSA-M,,,,,,,,,,,
100.054.781,260-278-6,56601-42-4,Cyclopropyl isothiocyanate,isothiocyanatocyclopropane,S=C=NC1CC1,S=C=NC1CC1,"InChI=1/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2",C4H5NS,,,,,,JGFBQFKZKSSODQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.791,260-289-6,56621-48-8,p-(1-piperazinyl)phenol,4-piperazin-1-ylphenol,Oc1ccc(cc1)N2CCNCC2,Oc1ccc(cc1)N2CCNCC2,"InChI=1/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2",C10H14N2O,,,,,,GPEOAEVZTOQXLG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.792,260-290-1,56623-33-7,"1,1'-azobis(1-methylethyl) dipropionate","diazene-1,2-diyldipropane-2,2-diyl dipropanoate",O=C(OC(C)(C)N=NC(C)(C)OC(=O)CC)CC,O=C(OC(C)(C)N=NC(C)(C)OC(=O)CC)CC,"InChI=1/C12H22N2O4/c1-7-9(15)17-11(3,4)13-14-12(5,6)18-10(16)8-2/h7-8H2,1-6H3",C12H22N2O4,,,,,,FMRUGYOCBGTDAC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.798,260-296-4,56633-19-3,"Ammonium 1,4-dihydro-1,4-dioxonaphthalene-2-sulphonate","ammonium 1,4-dioxo-1,4-dihydronaphthalene-2-sulfonate",[NH4+].[O-]S(=O)(=O)C1=CC(=O)c2ccccc2C1=O,[NH4+].[O-]S(=O)(=O)C1=CC(=O)c2ccccc2C1=O,"InChI=1/C10H6O5S.H3N/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;/h1-5H,(H,13,14,15);1H3",C10H6O5S.H3N,,,,,,NXKJPCDZJAZKRM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.489,252-254-9,34862-07-2,"1,1-dichloro-2-methoxyethane","1,1-dichloro-2-methoxyethane",COCC(Cl)Cl,COCC(Cl)Cl,"InChI=1/C3H6Cl2O/c1-6-2-3(4)5/h3H,2H2,1H3",C3H6Cl2O,,,,,,QUCLHUUEEKVBGT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.492,252-258-0,34867-74-8,"1,1,2,2,4-pentachlorobutane","1,1,2,2,4-pentachlorobutane",ClCCC(Cl)(Cl)C(Cl)Cl,ClCCC(Cl)(Cl)C(Cl)Cl,"InChI=1/C4H5Cl5/c5-2-1-4(8,9)3(6)7/h3H,1-2H2",C4H5Cl5,,,,,,JITSWUFGPFIMFG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.500,252-266-4,34879-37-3,"2,2-dimethylimidazolidine-4,5-dione","2,2-dimethylimidazolidine-4,5-dione",CC1(C)NC(=O)C(=O)N1,CC1(C)NC(=O)C(=O)N1,"InChI=1/C5H8N2O2/c1-5(2)6-3(8)4(9)7-5/h1-2H3,(H,6,8)(H,7,9)",C5H8N2O2,,,,,,JUUCOMWMUXIJNP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.504,252-271-1,34888-05-6,(trichloromethoxy)benzene,(trichloromethoxy)benzene,ClC(Cl)(Cl)Oc1ccccc1,ClC(Cl)(Cl)Oc1ccccc1,"InChI=1/C7H5Cl3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H",C7H5Cl3O,,,,,,CLYZNABPUKUSDX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.505,252-272-7,34890-37-4,"(2,3-epoxypropyl)trimethylammonium acetate","N,N,N-trimethyl(oxiran-2-yl)methanaminium acetate",CC(=O)[O-].C[N+](C)(C)CC1CO1,CC(=O)[O-].C[N+](C)(C)CC1CO1,"InChI=1/C6H14NO.C2H4O2/c1-7(2,3)4-6-5-8-6;1-2(3)4/h6H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C6H14NO.C2H3O2,,,,,,YKSCEYXLAITVID-UHFFFAOYSA-M,,,,,,,,,,,
100.047.509,252-276-9,34893-92-0,"1,3-dichloro-5-isocyanatobenzene","1,3-dichloro-5-isocyanatobenzene",Clc1cc(Cl)cc(c1)N=C=O,Clc1cc(Cl)cc(c1)N=C=O,InChI=1/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H,C7H3Cl2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1925,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.509,XEFUJGURFLOFAN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.510,252-277-4,34895-26-6,"Maleic acid, lithium salt",lithium 3-carboxyacrylate,[Li+].OC(=O)\\C=C/C(=O)[O-],[Li+].OC(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.Li/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1",C4H4O4.xLi,,,,,,BLKXGOSKCMAKDP-ODZAUARKSA-M,,,,,,,,,,,
100.047.513,252-281-6,34911-46-1,"N,4-dihydroxy-a-oxobenzeneacetimidoyl chloride",N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride,O=C(c1ccc(O)cc1)C(Cl)=NO,O=C(c1ccc(O)cc1)C(Cl)=NO,"InChI=1/C8H6ClNO3/c9-8(10-13)7(12)5-1-3-6(11)4-2-5/h1-4,11,13H",C8H6ClNO3,,,,,,YHOOPWNLHRKWEM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.514,252-282-1,34911-51-8,2-bromo-3'-chloropropiophenone,2-bromo-1-(3-chlorophenyl)propan-1-one,CC(Br)C(=O)c1cccc(Cl)c1,CC(Br)C(=O)c1cccc(Cl)c1,"InChI=1/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3",C9H8BrClO,,,,,,OFNMQTRHMBQQEA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.018,251-736-6,33909-95-4,"trans-dimethyl-2,5-dihydrofuran-3(2H)-one","2,2-dimethyldihydrofuran-3(2H)-one",CC1(C)OCCC1=O,CC1(C)OCCC1=O,"InChI=1/C6H10O2/c1-6(2)5(7)3-4-8-6/h3-4H2,1-2H3",C6H10O2,,,,,,SBFGOECBUWGUNY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.023,251-741-3,33912-87-7,N-[N-[(benzyloxy)carbonyl]glycyl]-L-valine,N-[(benzyloxy)carbonyl]glycyl-D-valine,CC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O,CC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C15H20N2O5/c1-10(2)13(14(19)20)17-12(18)8-16-15(21)22-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)",C15H20N2O5,,,,,,RQLYPCLOROQBGI-ZDUSSCGKSA-N,,,,,,,,,,,
100.047.028,251-747-6,33925-73-4,Tetradec-11-ynol,tetradec-11-yn-1-ol,CCC#CCCCCCCCCCCO,CCC#CCCCCCCCCCCO,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2,5-14H2,1H3",C14H26O,,,,,,ZAQQXTXRYPDIEV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.029,251-748-1,33933-77-6,7-methyloctan-4-ol,7-methyloctan-4-ol,CCCC(O)CCC(C)C,CCCC(O)CCC(C)C,"InChI=1/C9H20O/c1-4-5-9(10)7-6-8(2)3/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,KJMBBHZOLRRVMV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.032,251-751-8,33941-15-0,"1,4,7,10,13-pentaoxa-16-azacyclooctadecane","1,4,7,10,13-pentaoxa-16-azacyclooctadecane",C1COCCOCCOCCOCCOCCN1,C1COCCOCCOCCOCCOCCN1,"InChI=1/C12H25NO5/c1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1/h13H,1-12H2",C12H25NO5,,,,,,NBXKUSNBCPPKRA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.033,251-752-3,33941-99-0,"2-methyl-4-phenyl-1,3-dioxolane","2-methyl-4-phenyl-1,3-dioxolane",CC1OCC(O1)c2ccccc2,CC1OCC(O1)c2ccccc2,"InChI=1/C10H12O2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",C10H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18277,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.033,YPPGSWWESBCSCT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.034,251-753-9,33943-39-4,Dilithium hydrogen phosphate,dilithium hydrogen phosphate,[Li+].[Li+].[O-]P(=O)([O-])[O-],[Li+].[Li+].[O-]P(=O)([O-])[O-],"InChI=1/2Li.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-3",H3O4P.2Li,,,,,,REKWWOFUJAJBCL-UHFFFAOYSA-K,,,,,,,,,,,
100.047.036,251-756-5,33948-19-5,"10,11-dihydro-5H-dibenz[b,f]azepine-5-carbonyl chloride","10,11-dihydro-5H-dibenzo[b,f]azepine-5-carbonyl chloride",ClC(=O)N1c2ccccc2CCc3ccccc13,ClC(=O)N1c2ccccc2CCc3ccccc13,"InChI=1/C15H12ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2",C15H12ClNO,,,,,,COHHZMJBMIHLGF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.037,251-757-0,33952-38-4,Atropine hydrochloride,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate hydrochloride,Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,"InChI=1/C17H23NO3.ClH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H",C17H23NO3.ClH,,,,,,OJIPQOWZZMSBGY-RIMUKSHESA-N,,,,,,,,,,,
100.047.038,251-758-6,33952-87-3,"2-(3-pentadecylphenoxy)ethyl [4-[[4,5-dihydro-4-[(4-methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]carbamate","2-(3-pentadecylphenoxy)ethyl [4-({4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}amino)phenyl]carbamate",CCCCCCCCCCCCCCCc1cc(ccc1)OCCOC(=O)Nc2ccc(cc2)N/C5=N/N(c3c(Cl)cc(Cl)cc3Cl)C(=O)C5N=Nc4ccc(OC)cc4,CCCCCCCCCCCCCCCc1cc(ccc1)OCCOC(=O)Nc2ccc(cc2)N/C5=N/N(c3c(Cl)cc(Cl)cc3Cl)C(=O)C5N=Nc4ccc(OC)cc4,"InChI=1/C46H55Cl3N6O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-33-18-16-19-39(30-33)59-28-29-60-46(57)51-36-22-20-35(21-23-36)50-44-42(53-52-37-24-26-38(58-2)27-25-37)45(56)55(54-44)43-40(48)31-34(47)32-41(43)49/h16,18-27,30-32,42H,3-15,17,28-29H2,1-2H3,(H,50,54)(H,51,57)",C46H55Cl3N6O5,,,,,,SGSWOVJPIPGGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.041,251-761-2,33956-49-9,"(8E,10E)-dodeca-8,10-dienol","dodeca-8,10-dien-1-ol",C\\C=C\\C=C\\CCCCCCCO,C\C=C\C=C\CCCCCCCO,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3",C12H22O,,,,,,CSWBSLXBXRFNST-MQQKCMAXSA-N,,,,,,,,,,,
100.047.044,251-764-9,33964-82-8,"(1a,2ß,5a)-5-(1,1-dimethylethyl)-2-hydroxycyclohexanecarboxylic acid",5-tert-butyl-2-hydroxycyclohexanecarboxylic acid,CC(C)(C)[C@H]1CC[C@H](O)[C@H](C1)C(=O)O,CC(C)(C)[C@H]1CC[C@H](O)[C@H](C1)C(=O)O,"InChI=1/C11H20O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h7-9,12H,4-6H2,1-3H3,(H,13,14)",C11H20O3,,,,,,PYEOMDZPPRSCOZ-CIUDSAMLSA-N,,,,,,,,,,,
100.061.269,267-416-4,67859-68-1,Potassium silver(1+) sulphite,potassium silver(1+) sulfite,[K+].[Ag+].[O-]S(=O)[O-],[K+].[Ag+].[O-]S(=O)[O-],"InChI=1/Ag.K.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",Ag.H2O3S.K,,,,,,LDCLMIUOSIYDLF-UHFFFAOYSA-L,,,,,,,,,,,
100.061.270,267-418-5,67859-69-2,Gold(3+) pentasodium tetrasulphite,gold(3+) pentasodium tetrasulphite,[Na+].[Na+].[Na+].[Na+].[Na+].[Au+3].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Au+3].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/Au.5Na.4H2O3S/c;;;;;;4*1-4(2)3/h;;;;;;4*(H2,1,2,3)/q+3;5*+1;;;;/p-8",Au.4H2O3S.5Na,,,,,,UNIDRVYWQLIPKG-UHFFFAOYSA-F,,,,,,,,,,,
100.061.276,267-424-8,67859-76-1,Azidotrihexylsilane,azido(trihexyl)silane,CCCCCC[Si](CCCCCC)(CCCCCC)N=[N+]=[N-],CCCCCC[Si](CCCCCC)(CCCCCC)N=[N+]=[N-],"InChI=1/C18H39N3Si/c1-4-7-10-13-16-22(21-20-19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",C18H39N3Si,,,,,,KVNHQFHBRSWGHA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.671,233-752-5,10343-99-4,cis-decahydroquinoline,decahydroquinoline,C1CC[C@@H]2NCCC[C@@H]2C1,C1CC[C@@H]2NCCC[C@@H]2C1,"InChI=1/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2",C9H17N,,,,,,POTIYWUALSJREP-IUCAKERBSA-N,,,,,,,,,,,
100.030.675,233-756-7,10347-09-8,"Dimethyl [[p-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bis(ethylenecarbonate)","({4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl dimethyl biscarbonate",COC(=O)OCCN(CCOC(=O)OC)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)N(=O)=O,COC(=O)OCCN(CCOC(=O)OC)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)N(=O)=O,"InChI=1/C20H20Cl2N4O8/c1-31-19(27)33-9-7-25(8-10-34-20(28)32-2)14-5-3-13(4-6-14)23-24-18-16(21)11-15(26(29)30)12-17(18)22/h3-6,11-12H,7-10H2,1-2H3",C20H20Cl2N4O8,,,,,,GQTXEMGGHLUCQS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.676,233-757-2,10347-54-3,"1,4-bis(isocyanatomethyl)cyclohexane","1,4-bis(isocyanatomethyl)cyclohexane",O=C=NCC1CCC(CN=C=O)CC1,O=C=NCC1CCC(CN=C=O)CC1,"InChI=1/C10H14N2O2/c13-7-11-5-9-1-2-10(4-3-9)6-12-8-14/h9-10H,1-6H2",C10H14N2O2,,,,,,ROHUXHMNZLHBSF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.684,233-766-1,10352-27-9,2-methylquinolin-8-ol hydrochloride,2-methylquinolin-8-ol hydrochloride,Cl.Cc1ccc2cccc(O)c2n1,Cl.Cc1ccc2cccc(O)c2n1,"InChI=1/C10H9NO.ClH/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-6,12H,1H3;1H",C10H9NO.ClH,,,,,,JEQJTJSUPMXLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.686,233-768-2,10352-87-1,Propyl 2-butenoate,propyl but-2-enoate,CC=CC(=O)OCCC,CC=CC(=O)OCCC,"InChI=1/C7H12O2/c1-3-5-7(8)9-6-4-2/h3,5H,4,6H2,1-2H3",C7H12O2,,,,,,ZHDCHCTZRODSEN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.688,233-770-3,10353-05-6,(6R-trans)-1-[[2-carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium thiocyanate,1-({2-carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)pyridinium thiocyanate,OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N13.[S-]C#N,OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N13.[S-]C#N,"InChI=1/C19H17N3O4S2.CHNS/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;2-1-3/h1-8,15,18H,9-11H2,(H-,20,23,25,26);3H",C19H18N3O4S2.CNS,,,,,,LPLXQTKHCISMBB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.693,233-776-6,10357-27-4,p-nitrophenyl a-D-mannopyranoside,4-nitrophenyl alpha-D-mannopyranoside,OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,IFBHRQDFSNCLOZ-GCHJQGSQSA-N,,,,,,,,,,,
100.030.694,233-777-1,10357-84-3,6-hydroxy-2-oxopyridinium chloride,"6-hydroxy-2-oxo-1,2-dihydropyridinium chloride",[Cl-].OC1=CC=CC(=O)[NH2+]1,[Cl-].OC1=CC=CC(=O)[NH2+]1,"InChI=1/C5H5NO2.ClH/c7-4-2-1-3-5(8)6-4;/h1-3H,(H2,6,7,8);1H",C5H5NO2.ClH,,,,,,HNWWAWKDVFVJRG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.826,241-626-6,17640-15-2,Methyl cyanoformate,methyl cyanidocarbonate,COC(=O)C#N,COC(=O)C#N,InChI=1/C3H3NO2/c1-6-3(5)2-4/h1H3,C3H3NO2,,,,,,OBWFJXLKRAFEDI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.832,241-632-9,17651-61-5,Adonitoxin,"3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide",C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)C(CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)C(CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3",C29H42O10,,,,,,ARANEVHRNOGYRH-TVWSFVHYSA-N,,,,,,,,,,,
100.037.838,241-639-7,17660-75-2,Methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate,methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate,COC(=O)C1C(C)C2CC1C=C2,COC(=O)C1C(C)C2CC1C=C2,"InChI=1/C10H14O2/c1-6-7-3-4-8(5-7)9(6)10(11)12-2/h3-4,6-9H,5H2,1-2H3",C10H14O2,,,,,,NCDNOKVFSOMXCA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.841,241-642-3,17665-72-4,"3,3-bis[4-(dimethylamino)phenyl]acrylaldehyde","3,3-bis[4-(dimethylamino)phenyl]acrylaldehyde",CN(C)c1ccc(cc1)C(=CC=O)c2ccc(cc2)N(C)C,CN(C)c1ccc(cc1)C(=CC=O)c2ccc(cc2)N(C)C,"InChI=1/C19H22N2O/c1-20(2)17-9-5-15(6-10-17)19(13-14-22)16-7-11-18(12-8-16)21(3)4/h5-14H,1-4H3",C19H22N2O,,,,,,ITCVZBUCTCGFHF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.843,241-644-4,17671-26-0,Dodecyl nonan-1-oate,dodecyl nonanoate,CCCCCCCCCCCCOC(=O)CCCCCCCC,CCCCCCCCCCCCOC(=O)CCCCCCCC,"InChI=1/C21H42O2/c1-3-5-7-9-11-12-13-14-16-18-20-23-21(22)19-17-15-10-8-6-4-2/h3-20H2,1-2H3",C21H42O2,,,,,,PAKQQTBKJHSYEY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.845,241-647-0,17671-28-2,"1,1',1''-[methylidynetris(oxy)]trisoctadecane","1,1',1''-[methanetriyltris(oxy)]trioctadecane",CCCCCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1/C55H112O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55H,4-54H2,1-3H3",C55H112O3,,,,,,AZJIEXRJDXOMAN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.312,267-464-6,67874-34-4,"5,6-dihydro-4,4,6-trimethyl-2-vinyl-4H-1,3-oxazin-6-yl sulphate","bis(4,4,6-trimethyl-2-vinyl-5,6-dihydro-4H-1,3-oxazin-6-yl) sulfate",CC1(C)CC(C)(OS(=O)(=O)OC2(C)CC(C)(C)N=C(O2)C=C)OC(=N1)C=C,CC1(C)CC(C)(OS(=O)(=O)OC2(C)CC(C)(C)N=C(O2)C=C)OC(=N1)C=C,"InChI=1/C18H28N2O6S/c1-9-13-19-15(3,4)11-17(7,23-13)25-27(21,22)26-18(8)12-16(5,6)20-14(10-2)24-18/h9-10H,1-2,11-12H2,3-8H3",C9H15NO2.H2O4S,,,,,,XSQJUMGZEFDUAL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.323,267-476-1,67874-47-9,"4,4-dibutyl-9-oxo-8-oxa-3,5-dithia-4-stannadecyl acetate","4,4-dibutyl-9-oxo-8-oxa-3,5-dithia-4-stannadec-1-yl acetate (non-preferred name)",CCCC[Sn](CCCC)(SCCOC(=O)C)SCCOC(=O)C,CCCC[Sn](CCCC)(SCCOC(=O)C)SCCOC(=O)C,"InChI=1/2C4H8O2S.2C4H9.Sn/c2*1-4(5)6-2-3-7;2*1-3-4-2;/h2*7H,2-3H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC16H32O4S2Sn/c1-5-7-13-23(14-8-6-2,21-11-9-19-15(3)17)22-12-10-20-16(4)18/h5-14H2,1-4H3",C16H32O4S2Sn,,,,,,XCXPJDWGCJETNF-UHFFFAOYSA-L,,,,,,,,,,,
100.061.330,267-484-5,67874-57-1,"3-[2-chloro-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]propiononitrile","3-({2-chloro-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile",Clc2cc(cc(Cl)c2N=Nc1ccc(NCCC#N)c(Cl)c1)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(NCCC#N)c(Cl)c1)[N+]([O-])=O,"InChI=1/C15H10Cl3N5O2/c16-11-6-9(2-3-14(11)20-5-1-4-19)21-22-15-12(17)7-10(23(24)25)8-13(15)18/h2-3,6-8,20H,1,5H2",C15H10Cl3N5O2,,,,,,YGSBFXRCXYKFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.332,267-486-6,67874-59-3,Disodium 5-[[4-[[[[4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]salicylate,disodium 2-hydroxy-5-({4-[({4-[(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)benzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(NC(=O)Nc3ccc(N=Nc2cccc(c2)S([O-])(=O)=O)cc3)cc4,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(NC(=O)Nc3ccc(N=Nc2cccc(c2)S([O-])(=O)=O)cc3)cc4,"InChI=1/C26H20N6O7S.2Na/c33-24-13-12-21(15-23(24)25(34)35)32-30-19-10-6-17(7-11-19)28-26(36)27-16-4-8-18(9-5-16)29-31-20-2-1-3-22(14-20)40(37,38)39;;/h1-15,33H,(H,34,35)(H2,27,28,36)(H,37,38,39);;/q;2*+1/p-2",C26H20N6O7S.2Na,,,,,,ZQDLRMQXMSYIFI-UHFFFAOYSA-L,,,,,,,,,,,
100.061.334,267-488-7,67874-61-7,Sodium 2-hydroxy-3-[(3-hydroxy-1-propynyl)oxy]propanesulphonate,sodium 2-hydroxy-3-[(3-hydroxyprop-1-yn-1-yl)oxy]propane-1-sulfonate,[Na+].OCC#COCC(O)CS(=O)(=O)[O-],[Na+].OCC#COCC(O)CS(=O)(=O)[O-],"InChI=1/C6H10O6S.Na/c7-2-1-3-12-4-6(8)5-13(9,10)11;/h6-8H,2,4-5H2,(H,9,10,11);/q;+1/p-1",C6H10O6S.Na,,,,,,IRLADVPHFVPOBY-UHFFFAOYSA-M,,,,,,,,,,,
100.061.336,267-490-8,67874-63-9,Trimethyl[2-oxo-2-[[3-(triethoxysilyl)propyl]amino]ethyl]ammonium iodide,"N,N,N-trimethyl-2-oxo-2-{[3-(triethoxysilyl)propyl]amino}ethanaminium iodide",[I-].CCO[Si](CCCNC(=O)C[N+](C)(C)C)(OCC)OCC,[I-].CCO[Si](CCCNC(=O)C[N+](C)(C)C)(OCC)OCC,"InChI=1/C14H32N2O4Si.HI/c1-7-18-21(19-8-2,20-9-3)12-10-11-15-14(17)13-16(4,5)6;/h7-13H2,1-6H3;1H",C14H33N2O4Si.I,,,,,,KLIIWPAAPKGAHS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.338,267-492-9,67874-65-1,"2,3-dihydroxypropyl 3-mercaptopropionate","2,3-dihydroxypropyl 3-sulfanylpropanoate",OCC(O)COC(=O)CCS,OCC(O)COC(=O)CCS,"InChI=1/C6H12O4S/c7-3-5(8)4-10-6(9)1-2-11/h5,7-8,11H,1-4H2",C6H12O4S,,,,,,YTARCXSUNGADNU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.341,267-496-0,67874-68-4,"(2,2-dimethoxyethoxy)benzene","(2,2-dimethoxyethoxy)benzene",COC(COc1ccccc1)OC,COC(COc1ccccc1)OC,"InChI=1/C10H14O3/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3",C10H14O3,,,,,,QHMTZLHLQBIYJA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.342,267-497-6,67874-69-5,"(E)-3,7-dimethylocta-2,6-dienyl anthranilate","3,7-dimethylocta-2,6-dien-1-yl 2-aminobenzoate",CC(=CCC\\C(=C\\COC(=O)c1ccccc1N)\\C)C,CC(=CCC\C(=C\COC(=O)c1ccccc1N)\C)C,"InChI=1/C17H23NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-11H,6,8,12,18H2,1-3H3",C17H23NO2,,,,,,QLRICECRKJGSKQ-SDNWHVSQSA-N,,,,,,,,,,,
100.058.376,264-233-1,63467-26-5,Sodium 5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate,sodium 5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate,[Na+].CCc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O,[Na+].CCc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H15ClN2O4S.Na/c1-2-11-9-15(17(10-14(11)19)26(23,24)25)20-21-18-13-6-4-3-5-12(13)7-8-16(18)22;/h3-10,22H,2H2,1H3,(H,23,24,25);/q;+1/p-1",C18H15ClN2O4S.Na,,,,,,UWIFGBJXYYEESZ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.379,264-236-8,63467-34-5,1-methoxy-4-phenylpyridinium iodide,1-methoxy-4-phenylpyridinium iodide,[I-].CO[n+]1ccc(cc1)c2ccccc2,[I-].CO[n+]1ccc(cc1)c2ccccc2,"InChI=1/C12H12NO.HI/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1",C12H12NO.I,,,,,,STKHLBWQKSAUEB-UHFFFAOYSA-M,,,,,,,,,,,
100.058.380,264-237-3,63467-36-7,"N-(4,4-dicyano-1,3-butadienyl)-N-(3-methylphenyl)acetamide","N-(4,4-dicyanobuta-1,3-dien-1-yl)-N-(3-methylphenyl)acetamide",CC(=O)N(C=C\\C=C(/C#N)C#N)c1cc(C)ccc1,CC(=O)N(C=C\C=C(/C#N)C#N)c1cc(C)ccc1,"InChI=1/C15H13N3O/c1-12-5-3-7-15(9-12)18(13(2)19)8-4-6-14(10-16)11-17/h3-9H,1-2H3",C15H13N3O,,,,,,CCWOFCIFAYOGNC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.387,264-245-7,63467-95-8,"N,N',3-triphenylcarbazamidine","N,N',2-triphenylhydrazinecarboximidamide",N(Nc1ccccc1)C(Nc2ccccc2)=Nc3ccccc3,N(Nc1ccccc1)C(Nc2ccccc2)=Nc3ccccc3,"InChI=1/C19H18N4/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)23-22-18-14-8-3-9-15-18/h1-15,22H,(H2,20,21,23)",C19H18N4,,,,,,IIKIDHJZPRTCEK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.388,264-246-2,63467-96-9,"1,2,4-triazolidine-3,5-dione, compound with hydrazine (1:1)","1,2,4-triazolidine-3,5-dione - hydrazine (1:1)",NN.O=C1NNC(=O)N1,NN.O=C1NNC(=O)N1,"InChI=1/C2H3N3O2.H4N2/c6-1-3-2(7)5-4-1;1-2/h(H3,3,4,5,6,7);1-2H2",C2H3N3O2.H4N2,,,,,,HZBHTWNSVHZUGM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.524,252-293-1,34926-25-5,3-chloro-4-isopropoxyphenylacetonitrile,(3-chloro-4-isopropoxyphenyl)acetonitrile,CC(C)Oc1ccc(CC#N)cc1Cl,CC(C)Oc1ccc(CC#N)cc1Cl,"InChI=1/C11H12ClNO/c1-8(2)14-11-4-3-9(5-6-13)7-10(11)12/h3-4,7-8H,5H2,1-2H3",C11H12ClNO,,,,,,QKEINBRESMAQCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.527,252-296-8,34935-38-1,2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium,"4-{2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}butane-2-sulfonate",[O-]S(=O)(=O)C(C)CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,[O-]S(=O)(=O)C(C)CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,"InChI=1/C24H26N2O3S3/c1-4-25-19-9-5-7-11-21(19)30-23(25)15-17(2)16-24-26(14-13-18(3)32(27,28)29)20-10-6-8-12-22(20)31-24/h5-12,15-16,18H,4,13-14H2,1-3H3",C24H26N2O3S3,,,,,,HHGWLRNRKVHQRS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.528,252-297-3,34937-00-3,N-[3-(trimethoxysilyl)propyl]-N'-(vinylbenzyl)ethylenediamine monohydrochloride,"N-[3-(trimethoxysilyl)propyl]-N'-(2-vinylbenzyl)ethane-1,2-diamine hydrochloride",Cl.CO[Si](CCCNCCNCc1ccccc1C=C)(OC)OC,Cl.CO[Si](CCCNCCNCc1ccccc1C=C)(OC)OC,"InChI=1/C17H30N2O3Si.ClH/c1-5-16-9-6-7-10-17(16)15-19-13-12-18-11-8-14-23(20-2,21-3)22-4;/h5-7,9-10,18-19H,1,8,11-15H2,2-4H3;1H",C17H30N2O3Si.ClH,,,,,,MYWJOHLSXLTXCV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.530,252-299-4,34941-69-0,1-(2-hydroxyethyl)pyridinium chloride,1-(2-hydroxyethyl)pyridinium chloride,[Cl-].OCC[n+]1ccccc1,[Cl-].OCC[n+]1ccccc1,"InChI=1/C7H10NO.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7H2;1H/q+1;/p-1",C7H10NO.Cl,,,,,,ZRQWXZLJRJZNJO-UHFFFAOYSA-M,,,,,,,,,,,
100.058.358,264-213-2,63466-99-9,1-[(2-hydroxyethyl)amino]-4-[(2-methoxyethyl)amino]anthraquinone,"1-[(2-hydroxyethyl)amino]-4-[(2-methoxyethyl)amino]-9,10-anthraquinone",COCCNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,COCCNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H20N2O4/c1-25-11-9-21-15-7-6-14(20-8-10-22)16-17(15)19(24)13-5-3-2-4-12(13)18(16)23/h2-7,20-22H,8-11H2,1H3",C19H20N2O4,,,,,,COXQBOPCXFTAIX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.360,264-215-3,63467-01-6,3-[ethyl[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile,"3-[ethyl(4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl)amino]propanenitrile",CCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)S(C)(=O)=O,CCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)S(C)(=O)=O,"InChI=1/C19H19N5O2S2/c1-3-24(12-4-11-20)15-7-5-14(6-8-15)22-23-19-21-17-10-9-16(28(2,25)26)13-18(17)27-19/h5-10,13H,3-4,12H2,1-2H3",C19H19N5O2S2,,,,,,FHWQRHRVFYUHRD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.366,264-222-1,63467-09-4,2-[(2-cyanoethyl)[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl acetate,"2-[(2-cyanoethyl)(4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl)amino]ethyl acetate",CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)S(C)(=O)=O,CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)S(C)(=O)=O,"InChI=1/C21H21N5O4S2/c1-15(27)30-13-12-26(11-3-10-22)17-6-4-16(5-7-17)24-25-21-23-19-9-8-18(32(2,28)29)14-20(19)31-21/h4-9,14H,3,11-13H2,1-2H3",C21H21N5O4S2,,,,,,QFMUFGXGLWRZKO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.367,264-223-7,63467-10-7,"N-[3-[(2,3-dihydroxypropyl)amino]-2-methoxy-6-[(5-nitrothiazol-2-yl)azo]phenyl]acetamide","N-{3-[(2,3-dihydroxypropyl)amino]-2-methoxy-6-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}acetamide",OCC(O)CNc2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2OC,OCC(O)CNc2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2OC,"InChI=1/C15H18N6O6S/c1-8(23)18-13-10(19-20-15-17-6-12(28-15)21(25)26)3-4-11(14(13)27-2)16-5-9(24)7-22/h3-4,6,9,16,22,24H,5,7H2,1-2H3,(H,18,23)",C15H18N6O6S,,,,,,JISSCSLVNOPLGN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.370,264-226-3,63467-14-1,1-amino-4-hydroxy-2-[2-[4-(2-hydroxyethyl)phenyl]ethoxy]anthraquinone,"1-amino-4-hydroxy-2-{2-[4-(2-hydroxyethyl)phenyl]ethoxy}-9,10-anthraquinone",Nc1c(OCCc2ccc(CCO)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(OCCc2ccc(CCO)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C24H21NO5/c25-22-19(30-12-10-15-7-5-14(6-8-15)9-11-26)13-18(27)20-21(22)24(29)17-4-2-1-3-16(17)23(20)28/h1-8,13,26-27H,9-12,25H2",C24H21NO5,,,,,,OKZRROQYZKWXOV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.374,264-231-0,63467-19-6,"2-[6-(2,2-dicyanovinyl)-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-1-yl]ethyl carbanilate","2-[6-(2,2-dicyanovinyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl phenylcarbamate",CC1CC(C)(C)N(CCOC(=O)Nc2ccccc2)c3ccc(C=C(C#N)C#N)cc13,CC1CC(C)(C)N(CCOC(=O)Nc2ccccc2)c3ccc(C=C(C#N)C#N)cc13,"InChI=1/C25H26N4O2/c1-18-15-25(2,3)29(11-12-31-24(30)28-21-7-5-4-6-8-21)23-10-9-19(14-22(18)23)13-20(16-26)17-27/h4-10,13-14,18H,11-12,15H2,1-3H3,(H,28,30)",C25H26N4O2,,,,,,JWGCHIPZBXVFQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.931,267-044-2,67763-26-2,2-chloro-4-(diethylamino)benzenediazonium tetrachlorozincate (2:1),bis[2-chloro-4-(diethylamino)benzenediazonium] tetrachlorozincate(2-),CCN(CC)c1ccc([N+]#N)c(Cl)c1.CCN(CC)c2ccc([N+]#N)c(Cl)c2.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc([N+]#N)c(Cl)c1.CCN(CC)c2ccc([N+]#N)c(Cl)c2.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C10H13ClN3.4ClH.Zn/c2*1-3-14(4-2)8-5-6-10(13-12)9(11)7-8;;;;;/h2*5-7H,3-4H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C10H13ClN3.Cl4Zn/c2*1-3-14(4-2)8-5-6-10(13-12)9(11)7-8;1-5(2,3)4/h2*5-7H,3-4H2,1-2H3;/q2*+1;-2",C10H13ClN3.1/2Cl4Zn,,,,,,WEWRLBQDAGWPJO-UHFFFAOYSA-J,,,,,,,,,,,
100.061.282,267-431-6,67859-97-6,"3,3,5-trimethylcyclohexyl phenylacetate","3,3,5-trimethylcyclohexyl phenylacetate",CC1CC(CC(C)(C)C1)OC(=O)Cc2ccccc2,CC1CC(CC(C)(C)C1)OC(=O)Cc2ccccc2,"InChI=1/C17H24O2/c1-13-9-15(12-17(2,3)11-13)19-16(18)10-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3",C17H24O2,,,,,,JJRRLZZVCHJDHV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.284,267-433-7,67859-99-8,"(Z)-3,7-dimethylocta-2,6-dienyl anthranilate","3,7-dimethylocta-2,6-dien-1-yl 2-aminobenzoate",CC(=CCC\\C(=C/COC(=O)c1ccccc1N)\\C)C,CC(=CCC\C(=C/COC(=O)c1ccccc1N)\C)C,"InChI=1/C17H23NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-11H,6,8,12,18H2,1-3H3",C17H23NO2,,,,,,QLRICECRKJGSKQ-KAMYIIQDSA-N,,,,,,,,,,,
100.061.287,267-436-3,67860-02-0,2-methyl-4-oxo-4H-pyran-3-yl lactate,2-methyl-4-oxo-4H-pyran-3-yl 2-hydroxypropanoate,CC(O)C(=O)OC1=C(C)OC=CC1=O,CC(O)C(=O)OC1=C(C)OC=CC1=O,"InChI=1/C9H10O5/c1-5(10)9(12)14-8-6(2)13-4-3-7(8)11/h3-5,10H,1-2H3",C9H10O5,,,,,,MDIWGYQROJRXEW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.303,267-454-1,67874-12-8,"1-[2-[(2-cyanoethyl)(1-oxododecyl)amino]ethyl]-4,5-dihydro-1-methyl-2-undecyl-1H-imidazolium methyl sulphate","1-{2-[(2-cyanoethyl)(dodecanoyl)amino]ethyl}-1-methyl-2-undecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C32H61N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-23-31-34-26-29-36(31,3)30-28-35(27-22-25-33)32(37)24-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-24,26-30H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C32H61N4O.CH3O4S,,,,,,CJQJKTASNAAALI-UHFFFAOYSA-M,,,,,,,,,,,
100.056.717,262-409-2,60763-16-8,Potassium silver bis(thiocyanate),potassium silver bis(thiocyanate),[K+].[Ag+].[S-]C#N.[S-]C#N,[K+].[Ag+].[S-]C#N.[S-]C#N,InChI=1/2CHNS.Ag.K/c2*2-1-3;;/h2*3H;;/q;;2*+1/p-2,CHNS.1/2Ag.1/2K,,,,,,BJTUMNZZCKYBSH-UHFFFAOYSA-L,,,,,,,,,,,
100.056.731,262-424-4,60774-06-3,"2,2'-dithiobis[4-pentylphenol]","2,2'-disulfanediylbis(4-pentylphenol)",CCCCCc1ccc(O)c(SSc2cc(CCCCC)ccc2O)c1,CCCCCc1ccc(O)c(SSc2cc(CCCCC)ccc2O)c1,"InChI=1/C22H30O2S2/c1-3-5-7-9-17-11-13-19(23)21(15-17)25-26-22-16-18(10-8-6-4-2)12-14-20(22)24/h11-16,23-24H,3-10H2,1-2H3",C22H30O2S2,,,,,,QFIVQAAPVGDRHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.734,262-428-6,60784-31-8,(Z)-non-2-enal,non-2-enal,CCCCCC\\C=C/C=O,CCCCCC\C=C/C=O,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3",C9H16O,,,,,,BSAIUMLZVGUGKX-FPLPWBNLSA-N,,,,,,,,,,,
100.056.736,262-430-7,60784-79-4,"5-ethyl-5-hexyldihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione","5-ethyl-5-hexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCCCCCC1(CC)C(=O)NC(=S)NC1=O,CCCCCCC1(CC)C(=O)NC(=S)NC1=O,"InChI=1/C12H20N2O2S/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17)",C12H20N2O2S,,,,,,MWKKOAYCASKCLO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.742,262-437-5,60797-58-2,3-[bis(2-cyanoethyl)amino]-7-(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1),bis{3-[bis(2-cyanoethyl)amino]-7-(diethylamino)phenoxazin-5-ium} tetrachlorozincate(2-),CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CCC#N)CCC#N.CCN(CC)c4ccc5nc6ccc(cc6[o+]c5c4)N(CCC#N)CCC#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CCC#N)CCC#N.CCN(CC)c4ccc5nc6ccc(cc6[o+]c5c4)N(CCC#N)CCC#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C22H24N5O.4ClH.Zn/c2*1-3-26(4-2)17-7-9-19-21(15-17)28-22-16-18(8-10-20(22)25-19)27(13-5-11-23)14-6-12-24;;;;;/h2*7-10,15-16H,3-6,13-14H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C22H24N5O.Cl4Zn/c2*1-3-26(4-2)17-7-9-19-21(15-17)28-22-16-18(8-10-20(22)25-19)27(13-5-11-23)14-6-12-24;1-5(2,3)4/h2*7-10,15-16H,3-6,13-14H2,1-2H3;/q2*+1;-2",C22H24N5O.1/2Cl4Zn,,,,,,IXHSJGCOBQRRBE-UHFFFAOYSA-J,,,,,,,,,,,
100.056.748,262-443-8,60816-70-8,Lithium D-gluconate,"lithium 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",[Li+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Li+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C6H12O7.Li/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1",C6H12O7.Li,,,,,,ZOTSUVWAEYHZRI-JJKGCWMISA-M,,,,,,,,,,,
100.056.749,262-444-3,60826-15-5,3-hydroxynonyl acetate,3-hydroxynonyl acetate,CCCCCCC(O)CCOC(=O)C,CCCCCCC(O)CCOC(=O)C,"InChI=1/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3",C11H22O2,,,,,,RTYFAKSWXDNPPU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.588,264-466-9,63804-15-9,Sodium (Z)-5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetate,sodium {5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetate,[Na+].CC1=C(CC(=O)[O-])c2cc(F)ccc2/C/1=C\\c3ccc(cc3)S(=O)C,[Na+].CC1=C(CC(=O)[O-])c2cc(F)ccc2/C/1=C\c3ccc(cc3)S(=O)C,"InChI=1/C20H17FO3S.Na/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23;/h3-10H,11H2,1-2H3,(H,22,23);/q;+1/p-1",C20H17FO3S.Na,,,,,,YMXUJDLCLXHYBO-WPTDRQDKSA-M,,,,,,,,,,,
100.058.591,264-470-0,63811-40-5,"5-[5-(hexahydro-4,6-dioxo-2-thioxopyrimidin-5-yl)-2,4-pentadienylidene]dihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione","5,5'-penta-1,3-dien-1-yl-5-ylidenebis(2-thioxodihydropyrimidine-4,6(1H,5H)-dione)",O=C2NC(=S)NC(=O)C2C=CC=C\\C=C1/C(=O)NC(=S)NC1=O,O=C2NC(=S)NC(=O)C2C=CC=C\C=C1/C(=O)NC(=S)NC1=O,"InChI=1/C13H10N4O4S2/c18-8-6(9(19)15-12(22)14-8)4-2-1-3-5-7-10(20)16-13(23)17-11(7)21/h1-6H,(H2,14,15,18,19,22)(H2,16,17,20,21,23)",C13H10N4O4S2,,,,,,LFYHUCUXVULCOB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.850,241-652-8,17673-50-6,(Z)-octadec-9-enyl stearate,octadec-9-en-1-yl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C36H70O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-35H2,1-2H3",C36H70O2,,,,,,YYDZACXIVKPEAI-ZPHPHTNESA-N,,,,,,,,,,,
100.037.856,241-659-6,17675-60-4,Amidinourea phosphate,1-carbamimidoylurea phosphate,NC(=N)NC(=O)N.OP(=O)(O)O,NC(=N)NC(=O)N.OP(=O)(O)O,"InChI=1/C2H6N4O.H3O4P/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H3,1,2,3,4)",C2H6N4O.xH3O4P,,,,,,ZHURYQINAXWNAH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.861,241-664-3,17682-71-2,"a-l-Sorbofuranose, 2,3-O-(1-methylethylidene)-","2,3-O-isopropylidene-alpha-L-sorbofuranose",CC1(C)O[C@H]2[C@H](O)[C@H](CO)O[C@@]2(CO)O1,CC1(C)O[C@H]2[C@H](O)[C@H](CO)O[C@@]2(CO)O1,"InChI=1/C9H16O6/c1-8(2)14-7-6(12)5(3-10)13-9(7,4-11)15-8/h5-7,10-12H,3-4H2,1-2H3",C9H16O6,,,,,,AVVCILZWWPKOLD-XQXXSGGOSA-N,,,,,,,,,,,
100.037.865,241-669-0,17686-39-4,Pentyl cyanoacetate,pentyl cyanoacetate,CCCCCOC(=O)CC#N,CCCCCOC(=O)CC#N,"InChI=1/C8H13NO2/c1-2-3-4-7-11-8(10)5-6-9/h2-5,7H2,1H3",C8H13NO2,,,,,,OCJMNSVWIYIHRK-UHFFFAOYSA-N,,,,,,,,,,,
100.035.123,238-652-5,14613-32-2,"Benzenesulphonic acid, compound with triethylamine (1:1)","N,N-diethylethanamine benzenesulfonate",CCN(CC)CC.OS(=O)(=O)c1ccccc1,CCN(CC)CC.OS(=O)(=O)c1ccccc1,"InChI=1/C6H15N.C6H6O3S/c1-4-7(5-2)6-3;7-10(8,9)6-4-2-1-3-5-6/h4-6H2,1-3H3;1-5H,(H,7,8,9)",C6H15N.C6H6O3S,,,,,,OPJDPIWCAQORQI-UHFFFAOYSA-N,,,,,,,,,,,
100.035.124,238-653-0,14617-85-7,p-nitrophenyl myristate,4-nitrophenyl myristate,CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-],CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-13H2,1H3",C20H31NO4,,,,,,ZBBNFJIVAHGZKA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.626,240-305-8,16153-75-6,"N-(1-methylethyl)benzene-1,4-diamine","N-isopropylbenzene-1,4-diamine",CC(C)Nc1ccc(N)cc1,CC(C)Nc1ccc(N)cc1,"InChI=1/C9H14N2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,10H2,1-2H3",C9H14N2,,,,,,YFZNTUOMAQXCQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.629,240-308-4,16155-94-5,5-methyl-2-(p-tolyl)benzoxazole,"5-methyl-2-(4-methylphenyl)-1,3-benzoxazole",Cc1ccc(cc1)c2oc3ccc(C)cc3n2,Cc1ccc(cc1)c2oc3ccc(C)cc3n2,"InChI=1/C15H13NO/c1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15/h3-9H,1-2H3",C15H13NO,,,,,,RETREZSKHMFVCD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.634,240-314-7,16178-48-6,"Adenosine 5'-(trihydrogen diphosphate), disodium salt",disodium 9-(5-O-{[(hydroxyphosphinato)oxy]phosphinato}pentofuranosyl)-9H-purin-6-amine,Nc1ncnc2c1ncn2C3OC(COP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O,Nc1ncnc2c1ncn2C3OC(COP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O,"InChI=1/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/rC10H13N5Na2O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(19)6(18)4(24-10)1-23-29(22,26-17)27-28(20,21)25-16/h2-4,6-7,10,18-19H,1H2,(H,20,21)(H2,11,12,13)",C10H15N5O10P2.2Na,,,,,,ORKSTPSQHZNDSC-UHFFFAOYSA-L,,,,,,,,,,,
100.036.643,240-324-1,16195-23-6,3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]azo]-2-naphth-o-anisidide,3-hydroxy-N-(2-methoxyphenyl)-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide,COc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(ccc4OC)C(=O)Nc5ccccc5)c2O,COc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(ccc4OC)C(=O)Nc5ccccc5)c2O,"InChI=1/C32H26N4O5/c1-40-27-15-9-8-14-25(27)34-32(39)24-18-20-10-6-7-13-23(20)29(30(24)37)36-35-26-19-21(16-17-28(26)41-2)31(38)33-22-11-4-3-5-12-22/h3-19,37H,1-2H3,(H,33,38)(H,34,39)",C32H26N4O5,,,,,,HTIYWMBRMPXSEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.728,238-218-5,14293-67-5,Diiridium(3+) trisulphate,diiridium(3+) trisulphate,[Ir+3].[Ir+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Ir+3].[Ir+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Ir.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",H2O4S.2/3Ir,,,,,,VNVQLDDPGAWSSB-UHFFFAOYSA-H,,,,,,,,,,,
100.034.733,238-223-2,14295-46-6,1-[(6-methylbenzothiazol-2-yl)azo]-2-naphthol,"1-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]-2-naphthol",Oc4ccc1ccccc1c4N=Nc2nc3ccc(C)cc3s2,Oc4ccc1ccccc1c4N=Nc2nc3ccc(C)cc3s2,"InChI=1/C18H13N3OS/c1-11-6-8-14-16(10-11)23-18(19-14)21-20-17-13-5-3-2-4-12(13)7-9-15(17)22/h2-10,22H,1H3",C18H13N3OS,,,,,,YBEKDJHRAMRTGE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.736,238-226-9,14297-39-3,1-(chloromethyl)-4-(phenylmethyl)benzene,1-benzyl-4-(chloromethyl)benzene,ClCc1ccc(Cc2ccccc2)cc1,ClCc1ccc(Cc2ccccc2)cc1,"InChI=1/C14H13Cl/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11H2",C14H13Cl,,,,,,VYNOLHAQTWUNLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.738,238-229-5,14297-81-5,Chrysanthemoyl chloride,"2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbonyl chloride",CC(=CC1C(C(=O)Cl)C1(C)C)C,CC(=CC1C(C(=O)Cl)C1(C)C)C,"InChI=1/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3",C10H15ClO,,,,,,VNTCVNLNEOVBEE-UHFFFAOYSA-N,,,,,,,,,,,
100.034.749,238-241-0,14303-70-9,Propyl myristate,propyl myristate,CCCCCCCCCCCCCC(=O)OCCC,CCCCCCCCCCCCCC(=O)OCCC,"InChI=1/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h3-16H2,1-2H3",C17H34O2,,,,,,DPBVJRXPSXTHOL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.389,264-247-8,63467-97-0,2-(2-isopentyl-1-methylhydrazino)pyridine,2-[1-methyl-2-(3-methylbutyl)hydrazino]pyridine,CC(C)CCNN(C)c1ccccn1,CC(C)CCNN(C)c1ccccn1,"InChI=1/C11H19N3/c1-10(2)7-9-13-14(3)11-6-4-5-8-12-11/h4-6,8,10,13H,7,9H2,1-3H3",C11H19N3,,,,,,IQPZCFUMELJXPS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.399,264-258-8,63468-98-4,4-(ethoxycarbonyl)benzenediazonium sulphate (2:1),bis[4-(ethoxycarbonyl)benzenediazonium] sulfate,CCOC(=O)c1ccc(cc1)[N+]#N.CCOC(=O)c2ccc(cc2)[N+]#N.[O-]S(=O)(=O)[O-],CCOC(=O)c1ccc(cc1)[N+]#N.CCOC(=O)c2ccc(cc2)[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/2C9H9N2O2.H2O4S/c2*1-2-13-9(12)7-3-5-8(11-10)6-4-7;1-5(2,3)4/h2*3-6H,2H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2",C9H9N2O2.1/2O4S,,,,,,LSBDKNBWPTVSIS-UHFFFAOYSA-L,,,,,,,,,,,
100.058.406,264-266-1,63482-60-0,"6-chloro-2-(2-chloropropyl)-2,3-dihydro-3-hydroxy-4H-1,3-benzoxazin-4-one","6-chloro-2-(2-chloropropyl)-3-hydroxy-2,3-dihydro-4H-1,3-benzoxazin-4-one",CC(Cl)CC1Oc2ccc(Cl)cc2C(=O)N1O,CC(Cl)CC1Oc2ccc(Cl)cc2C(=O)N1O,"InChI=1/C11H11Cl2NO3/c1-6(12)4-10-14(16)11(15)8-5-7(13)2-3-9(8)17-10/h2-3,5-6,10,16H,4H2,1H3",C11H11Cl2NO3,,,,,,PURUODHGBYOTFL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.419,264-280-8,63512-20-9,5-chloro-3-ethyl-2-methylbenzoxazolium p-toluenesulphonate,"5-chloro-3-ethyl-2-methyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",CC[n+]1c(C)oc2ccc(Cl)cc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[n+]1c(C)oc2ccc(Cl)cc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C10H11ClNO.C7H8O3S/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C10H11ClNO.C7H7O3S,,,,,,JHXRZBGGUAYINO-UHFFFAOYSA-M,,,,,,,,,,,
100.054.254,259-699-8,55541-30-5,"9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(propionate)","9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate",CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3",C28H37FO7,,,,,,CIWBQSYVNNPZIQ-PKWREOPISA-N,,,,,,,,,,,
100.054.255,259-700-1,55542-26-2,17ß-hydroxy-17-(3-hydroxy-1-propynyl)androst-4-ene-3-one,"17-hydroxy-17-(3-hydroxyprop-1-yn-1-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#CCO,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#CCO,"InChI=1/C22H30O3/c1-20-10-6-16(24)14-15(20)4-5-17-18(20)7-11-21(2)19(17)8-12-22(21,25)9-3-13-23/h14,17-19,23,25H,4-8,10-13H2,1-2H3",C22H30O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12273,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.255,GBFFSHZRGVVSDW-GUCLMQHLSA-N,,,,,,,,,,,
100.054.262,259-708-5,55561-02-9,Trimethylthioacetic S-acid,"2,2-dimethylpropanethioic S-acid",CC(C)(C)C(=O)S,CC(C)(C)C(=O)S,"InChI=1/C5H10OS/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)",C5H10OS,,,,,,JHSXHKMJBWOMRU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.270,259-716-9,55590-83-5,2-methylbutyl valerate,2-methylbutyl valerate,CCCCC(=O)OCC(C)CC,CCCCC(=O)OCC(C)CC,"InChI=1/C10H20O2/c1-4-6-7-10(11)12-8-9(3)5-2/h9H,4-8H2,1-3H3",C10H20O2,,,,,,FOJKZJAPKUOYKR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.271,259-717-4,55591-23-6,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulphonyl chloride","1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl,"InChI=1/C6ClF13O2S/c7-23(21,22)6(19,20)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)18",C6ClF13O2S,,,,,,DVRQSALCLMEVIH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.277,259-724-2,55619-06-2,N-(2-chloroethyl)-N-ethyl-4-[(4-nitrophenyl)azo]aniline,N-(2-chloroethyl)-N-ethyl-4-[(4-nitrophenyl)diazenyl]aniline,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCCl)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCCl)cc2,"InChI=1/C16H17ClN4O2/c1-2-20(12-11-17)15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21(22)23/h3-10H,2,11-12H2,1H3",C16H17ClN4O2,,,,,,ZSHZJDLVNUANAY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.286,259-734-7,55636-09-4,(2-hydroxytrimethylene)bis(trimethylammonium) dichloride,"2-hydroxy-N,N,N,N',N',N'-hexamethylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(C)CC(O)C[N+](C)(C)C,[Cl-].[Cl-].C[N+](C)(C)CC(O)C[N+](C)(C)C,"InChI=1/C9H24N2O.2ClH/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2",C9H24N2O.2Cl,,,,,,UIYQPSXVBLBPQP-UHFFFAOYSA-L,,,,,,,,,,,
100.054.293,259-742-0,55658-55-4,(E)-(±)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one oxime,5-isopropenyl-2-methylcyclohex-2-en-1-one oxime,CC(=C)C1CC=C(C)C(=NO)C1,CC(=C)C1CC=C(C)C(=NO)C1,"InChI=1/C10H15NO/c1-7(2)9-5-4-8(3)10(6-9)11-12/h4,9,12H,1,5-6H2,2-3H3",C10H15NO,,,,,,JOAADLZWSUDMHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.094,251-820-2,34074-98-1,"2-[2-[(4-ethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-{2-[(4-ethoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CCOc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,[Cl-].CCOc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C21H24N2O.ClH/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;/h6-15H,5H2,1-4H3;1H",C21H25N2O.Cl,,,,,,QUZKWPNQYBRGJT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.933,267-046-3,67763-91-1,"Sodium (6R-trans)-3-(acetoxymethyl)-7-[(3,5-dichloro-4-oxo-1(4H)-pyridyl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate","sodium 3-(acetoxymethyl)-7-{[(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)CN3C=C(Cl)C(=O)C(=C3)Cl)C2=O)C(=O)[O-],[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)CN3C=C(Cl)C(=O)C(=C3)Cl)C2=O)C(=O)[O-],"InChI=1/C17H15Cl2N3O7S.Na/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21;/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28);/q;+1/p-1",C17H15Cl2N3O7S.Na,,,,,,GGPBSYNZYHEHSG-MIRNQTQTSA-M,,,,,,,,,,,
100.060.935,267-048-4,67770-79-0,5-butyl-5-ethyltetrahydro-2H-pyran-2-one,5-butyl-5-ethyltetrahydro-2H-pyran-2-one,CCCCC1(CC)CCC(=O)OC1,CCCCC1(CC)CCC(=O)OC1,"InChI=1/C11H20O2/c1-3-5-7-11(4-2)8-6-10(12)13-9-11/h3-9H2,1-2H3",C11H20O2,,,,,,BACWTVIXOCGZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.954,267-069-9,67785-75-5,"9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one","9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one",C/C(C)=C\\CCC(C)=CC=CC(=O)CCC=C,C/C(C)=C\CCC(C)=CC=CC(=O)CCC=C,"InChI=1/C16H24O/c1-5-6-12-16(17)13-8-11-15(4)10-7-9-14(2)3/h5,8-9,11,13H,1,6-7,10,12H2,2-4H3",C16H24O,,,,,,ZKCRJFSZWKAJGA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.958,267-074-6,67785-79-9,"Heptadec-2-enyl-4,5-dihydro-1H-imidazole-1-ethanol hydrochloride","11-[(2,4,4,5,5-pentadec-2-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)methyl]henicosa-8,13-dien-11-ol hydrochloride",Cl.OC(CC=CCCCCCCC)(CN1C(\\CC=CCCCCCCC)=N/C(CC=CCCCCCCC)(CC=CCCCCCCC)C1(CC=CCCCCCCC)CC=CCCCCCCC)CC=CCCCCCCC,Cl.OC(CC=CCCCCCCC)(CN1C(\CC=CCCCCCCC)=N/C(CC=CCCCCCCC)(CC=CCCCCCCC)C1(CC=CCCCCCCC)CC=CCCCCCCC)CC=CCCCCCCC,"InChI=1/C75H136N2O.ClH/c1-8-15-22-29-36-43-50-57-64-72-76-74(67-60-53-46-39-32-25-18-11-4,68-61-54-47-40-33-26-19-12-5)75(69-62-55-48-41-34-27-20-13-6,70-63-56-49-42-35-28-21-14-7)77(72)71-73(78,65-58-51-44-37-30-23-16-9-2)66-59-52-45-38-31-24-17-10-3;/h50-63,78H,8-49,64-71H2,1-7H3;1H",C22H42N2O.xClH,,,,,,SVHFALXAGUGUJN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.809,260-309-3,56650-12-5,"(1S-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl chloride","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbonyl chloride",CC(=CC1[C@H](C(=O)Cl)C1(C)C)C,CC(=CC1[C@H](C(=O)Cl)C1(C)C)C,"InChI=1/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3",C10H15ClO,,,,,,VNTCVNLNEOVBEE-BRFYHDHCSA-N,,,,,,,,,,,
100.054.812,260-313-5,56652-33-6,"5-oxo-L-proline, compound with (9S)-cinchonan-9-ol (1:1)",5-oxo-L-proline - cinchonan-9-ol (1:1),O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OC(=O)[C@@H]5CCC(=O)N5,O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C19H22N2O.C5H7NO3/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;7-4-2-1-3(6-4)5(8)9/h2-7,9,13-14,18-19,22H,1,8,10-12H2;3H,1-2H2,(H,6,7)(H,8,9)",C19H22N2O.C5H7NO3,,,,,,IOFJVJGKFAPBNG-LHYLDINDSA-N,,,,,,,,,,,
100.054.818,260-319-8,56663-94-6,Magnesium disulphanilate,magnesium bis(4-aminobenzenesulfonate),[Mg+2].Nc1ccc(cc1)S(=O)(=O)[O-].Nc2ccc(cc2)S(=O)(=O)[O-],[Mg+2].Nc1ccc(cc1)S(=O)(=O)[O-].Nc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C6H7NO3S.Mg/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4H,7H2,(H,8,9,10);/q;;+2/p-2",C6H7NO3S.1/2Mg,,,,,,POXSNRBUTFOZRG-UHFFFAOYSA-L,,,,,,,,,,,
100.054.819,260-320-3,56664-26-7,2-benzyl-3-methylpyridine,2-benzyl-3-methylpyridine,Cc1cccnc1Cc2ccccc2,Cc1cccnc1Cc2ccccc2,"InChI=1/C13H13N/c1-11-6-5-9-14-13(11)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3",C13H13N,,,,,,HYSALCMXIKJFNX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.822,260-324-5,56669-92-2,1-(methyloctadecylamino)propan-2-ol,1-[methyl(octadecyl)amino]propan-2-ol,CCCCCCCCCCCCCCCCCCN(C)CC(C)O,CCCCCCCCCCCCCCCCCCN(C)CC(C)O,"InChI=1/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3)21-22(2)24/h22,24H,4-21H2,1-3H3",C22H47NO,,,,,,FIIVRQMXFMRFJI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.833,260-336-0,56681-66-4,4-acetoxy-3-methoxybenzoyl chloride,4-(chlorocarbonyl)-2-methoxyphenyl acetate,COc1cc(ccc1OC(=O)C)C(=O)Cl,COc1cc(ccc1OC(=O)C)C(=O)Cl,"InChI=1/C10H9ClO4/c1-6(12)15-8-4-3-7(10(11)13)5-9(8)14-2/h3-5H,1-2H3",C10H9ClO4,,,,,,YRZKSSFRGXBQKU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.834,260-337-6,56683-54-6,(Z)-hexadec-11-en-1-ol,hexadec-11-en-1-ol,CCCC\\C=C/CCCCCCCCCCO,CCCC\C=C/CCCCCCCCCCO,"InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3",C16H32O,,,,,,RHVMNRHQWXIJIS-WAYWQWQTSA-N,,,,,,,,,,,
100.054.835,260-338-1,56684-95-8,"2,2'-(methylimino)dipropanol","2,2'-(methylimino)dipropan-1-ol",CC(CO)N(C)C(C)CO,CC(CO)N(C)C(C)CO,"InChI=1/C7H17NO2/c1-6(4-9)8(3)7(2)5-10/h6-7,9-10H,4-5H2,1-3H3",C7H17NO2,,,,,,AOEMTQGYLIGXQM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.837,260-340-2,56693-13-1,Mociprazine,1-[(1-ethynylcyclohexyl)oxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol,COc1ccccc1N2CCN(CC(O)COC3(CCCCC3)C#C)CC2,COc1ccccc1N2CCN(CC(O)COC3(CCCCC3)C#C)CC2,"InChI=1/C22H32N2O3/c1-3-22(11-7-4-8-12-22)27-18-19(25)17-23-13-15-24(16-14-23)20-9-5-6-10-21(20)26-2/h1,5-6,9-10,19,25H,4,7-8,11-18H2,2H3",C22H32N2O3,,,,,,UWDDRCRFIZGSCD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.842,260-346-5,56699-32-2,"(2E,4Z)-deca-2,4-dienyl isovalerate","deca-2,4-dien-1-yl 3-methylbutanoate",CCCCC\\C=C/C=C/COC(=O)CC(C)C,CCCCC\C=C/C=C/COC(=O)CC(C)C,"InChI=1/C15H26O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3",C15H26O2,,,,,,BFONWEJKMSLMCY-QNRZBPGKSA-N,,,,,,,,,,,
100.058.604,264-484-7,63815-99-6,"3-(2-hydroxyethyl)-6-methoxy-2,5-dimethylbenzothiazolium bromide","3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium bromide",[Br-].COc1cc2sc(C)[n+](CCO)c2cc1C,[Br-].COc1cc2sc(C)[n+](CCO)c2cc1C,"InChI=1/C12H16NO2S.BrH/c1-8-6-10-12(7-11(8)15-3)16-9(2)13(10)4-5-14;/h6-7,14H,4-5H2,1-3H3;1H/q+1;/p-1",C12H16NO2S.Br,,,,,,OCVYRSMBENZCER-UHFFFAOYSA-M,,,,,,,,,,,
100.058.606,264-486-8,63816-04-6,6-chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium,"4-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-3,1-benzimidazol-3-ium-1-yl]butane-1-sulfonate",CC[NH+]1C(C)N(CCCCS(=O)(=O)[O-])c2cc(c(Cl)cc12)C(F)(F)F,CC[NH+]1C(C)N(CCCCS(=O)(=O)[O-])c2cc(c(Cl)cc12)C(F)(F)F,"InChI=1/C15H20ClF3N2O3S/c1-3-20-10(2)21(6-4-5-7-25(22,23)24)13-8-11(15(17,18)19)12(16)9-14(13)20/h8-10H,3-7H2,1-2H3,(H,22,23,24)",C15H18ClF3N2O3S,,,,,,GFEYRVNXYAQOBA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.609,264-489-4,63816-12-6,1-ethyl-6-methoxy-2-quinolone,1-ethyl-6-methoxyquinolin-2(1H)-one,CCN1C(=O)C=Cc2cc(OC)ccc12,CCN1C(=O)C=Cc2cc(OC)ccc12,"InChI=1/C12H13NO2/c1-3-13-11-6-5-10(15-2)8-9(11)4-7-12(13)14/h4-8H,3H2,1-2H3",C12H13NO2,,,,,,WKVCBZANWYZBAS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.611,264-492-0,63816-14-8,4-methoxy-2-nitrophenyl selenocyanate,4-methoxy-2-nitrophenyl selenocyanate,COc1ccc([Se]C#N)c(c1)[N+](=O)[O-],COc1ccc([Se]C#N)c(c1)[N+](=O)[O-],"InChI=1/C8H6N2O3Se/c1-13-6-2-3-8(14-5-9)7(4-6)10(11)12/h2-4H,1H3",C8H6N2O3Se,,,,,,YLSDNOIGUSRJFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.613,264-494-1,63816-16-0,3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methylbenzothiazolium iodide,"3-ethyl-2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-6-methyl-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4ccc(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC,[I-].CC[n+]3c4ccc(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC,"InChI=1/C25H29N2OSSe.HI/c1-6-18(14-24-26(7-2)20-11-9-17(4)13-22(20)29-24)15-25-27(8-3)21-16-19(28-5)10-12-23(21)30-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1",C25H29N2OSSe.I,,,,,,CQAPUGWAMRGZBV-UHFFFAOYSA-M,,,,,,,,,,,
100.058.614,264-495-7,63817-39-0,"Trisodium 7-[[2-[(aminocarbonyl)amino]-4-[[4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate","trisodium 7-{[2-(carbamoylamino)-4-({4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc5nc(F)nc(Nc4ccccc4C)n5)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc5nc(F)nc(Nc4ccccc4C)n5)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C27H22FN9O10S3.3Na/c1-13-4-2-3-5-18(13)32-27-34-24(28)33-26(35-27)30-15-6-7-19(20(10-15)31-25(29)38)36-37-21-12-17-14(9-23(21)50(45,46)47)8-16(48(39,40)41)11-22(17)49(42,43)44;;;/h2-12H,1H3,(H3,29,31,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,30,32,33,34,35);;;/q;3*+1/p-3",C27H22FN9O10S3.3Na,,,,,,DERXBASKAWGGIR-UHFFFAOYSA-K,,,,,,,,,,,
100.058.616,264-497-8,63817-45-8,"1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium chloride","1-ethyl-2-[1-(2-hydroxyethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl]benzo[cd]indolium chloride",[Cl-].CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45,[Cl-].CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45,"InChI=1/C27H31N2O.ClH/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;/h6-13,16,18,30H,5,14-15,17H2,1-4H3;1H/q+1;/p-1",C27H31N2O.Cl,,,,,,NNBSQWDAIOZMOM-UHFFFAOYSA-M,,,,,,,,,,,
100.058.623,264-504-4,63834-83-3,Guaietolin,"3-(2-ethoxyphenoxy)propane-1,2-diol",CCOc1ccccc1OCC(O)CO,CCOc1ccccc1OCC(O)CO,"InChI=1/C11H16O4/c1-2-14-10-5-3-4-6-11(10)15-8-9(13)7-12/h3-6,9,12-13H,2,7-8H2,1H3",C11H16O4,,,,,,XLOYQLAMNLMXCE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.051,251-772-2,33976-43-1,4-(trimethoxysilyl)aniline,4-(trimethoxysilyl)aniline,CO[Si](OC)(OC)c1ccc(N)cc1,CO[Si](OC)(OC)c1ccc(N)cc1,"InChI=1/C9H15NO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3",C9H15NO3Si,,,,,,CNODSORTHKVDEM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.059,251-781-1,33998-26-4,Cholest-5-en-3ß-yl phenylacetate,cholest-5-en-3-yl phenylacetate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)Cc5ccccc5,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)Cc5ccccc5,"InChI=1/C35H52O2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(37-33(36)22-26-12-7-6-8-13-26)18-20-34(27,4)32(29)19-21-35(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3",C35H52O2,,,,,,JHFRODPXYCPTCM-WASXNZKASA-N,,,,,,,,,,,
100.047.063,251-785-3,34006-16-1,Quinoline-8-thiol hydrochloride,quinoline-8-thiol hydrochloride,Cl.Sc1cccc2cccnc12,Cl.Sc1cccc2cccnc12,"InChI=1/C9H7NS.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;1H",C9H7NS.ClH,,,,,,RWBSBQAUAJSGHY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.064,251-786-9,34006-60-5,Ethyl chloroethoxyacetate,ethyl chloro(ethoxy)acetate,CCOC(Cl)C(=O)OCC,CCOC(Cl)C(=O)OCC,"InChI=1/C6H11ClO3/c1-3-9-5(7)6(8)10-4-2/h5H,3-4H2,1-2H3",C6H11ClO3,,,,,,CCAITLKAFIMPIT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.067,251-790-0,34010-15-6,(Z)-tetradec-11-enol,tetradec-11-en-1-ol,CC\\C=C/CCCCCCCCCCO,CC\C=C/CCCCCCCCCCO,"InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,15H,2,5-14H2,1H3",C14H28O,,,,,,YGHAIPJLMYTNAI-ARJAWSKDSA-N,,,,,,,,,,,
100.036.257,239-899-1,15793-77-8,2-quinolylhydrazine,2-hydrazinoquinoline,NNc1ccc2ccccc2n1,NNc1ccc2ccccc2n1,"InChI=1/C9H9N3/c10-12-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,10H2,(H,11,12)",C9H9N3,,,,,,QMVCLSHKMIGEFN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.258,239-900-5,15796-28-8,(octanoato-O)oxoaluminium,(octanoato-kappaO)(oxo)aluminum,CCCCCCCC(=O)O[Al]=O,CCCCCCCC(=O)O[Al]=O,"InChI=1/C8H16O2.Al.O/c1-2-3-4-5-6-7-8(9)10;;/h2-7H2,1H3,(H,9,10);;/q;+1;/p-1/rC8H15AlO3/c1-2-3-4-5-6-7-8(10)12-9-11/h2-7H2,1H3",C8H15AlO3,,,,,,FQNBRCOQXUOHME-UHFFFAOYSA-M,,,,,,,,,,,
100.036.260,239-902-6,15804-33-8,Pentalithium triphosphate,pentalithium triphosphate,[Li+].[Li+].[Li+].[Li+].[Li+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Li+].[Li+].[Li+].[Li+].[Li+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/5Li.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q5*+1;;;/p-9",H5O10P3.5Li,,,,,,MIVWLKHLWLUFMR-UHFFFAOYSA-E,,,,,,,,,,,
100.036.262,239-904-7,15805-42-2,"Barium 2,4,6-trinitroresorcinolate","barium 2,4,6-trinitrobenzene-1,3-diolate",[Ba+2].[O-]c1c(cc(c([O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Ba+2].[O-]c1c(cc(c([O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N3O8.Ba/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/q;+2/p-2",C6H3N3O8.Ba,,,,,,ZACISHMWZUXBDS-UHFFFAOYSA-L,,,,,,,,,,,
100.036.264,239-906-8,15805-92-2,"Butane-1,4-diyl dinonanoate","butane-1,4-diyl dinonanoate",CCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCC,CCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCC,"InChI=1/C22H42O4/c1-3-5-7-9-11-13-17-21(23)25-19-15-16-20-26-22(24)18-14-12-10-8-6-4-2/h3-20H2,1-2H3",C22H42O4,,,,,,NSZQGANCYYPANK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.702,233-786-0,10361-29-2,Ammonium carbonate,diammonium carbonate,[NH4+].[NH4+].[O-]C(=O)[O-],[NH4+].[NH4+].[O-]C(=O)[O-],"InChI=1/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3",CH2O3.xH3N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11523,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.702,PRKQVKDSMLBJBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.703,233-787-6,10361-31-6,Ammonium gluconate,"ammonium 2,3,4,5,6-pentahydroxyhexanoate (non-preferred name)",[NH4+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[NH4+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C6H12O7.H3N/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);1H3",C6H12O7.xH3N,,,,,,XLCNHLXQKYRGKZ-JJKGCWMISA-N,,,,,,,,,,,
100.030.711,233-796-5,10361-80-5,Praseodymium trinitrate,praseodymium trinitrate,[Pr+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Pr+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Pr/c3*2-1(3)4;/q3*-1;+3,HNO3.1/3Pr,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10260,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.711,YWECOPREQNXXBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.714,233-799-1,10361-84-9,Scandium trichloride,scandium trichloride,[Cl-].[Cl-].[Cl-].[Sc+3],[Cl-].[Cl-].[Cl-].[Sc+3],InChI=1/3ClH.Sc/h3*1H;/q;;;+3/p-3,Cl3Sc,,,,,,DVMZCYSFPFUKKE-UHFFFAOYSA-K,,,,,,,,,,,
100.030.726,233-812-0,10371-86-5,"9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole","9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole",COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1,COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1,"InChI=1/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3",C18H16N2O,,,,,,BKRMCDAOAQWNTG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.728,233-814-1,10373-78-1,"Dl-bornane-2,3-dione","1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione",CC1(C)C2CCC1(C)C(=O)C2=O,CC1(C)C2CCC1(C)C(=O)C2=O,"InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3",C10H14O2,,,,,,VNQXSTWCDUXYEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.729,233-815-7,10374-74-0,Tetradec-7-ene,tetradec-7-ene,CCCCCCC=CCCCCCC,CCCCCCC=CCCCCCC,"InChI=1/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3",C14H28,,,,,,UBDIXSAEHLOROW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.730,233-816-2,10375-00-5,Norborn-2-ylmethyl methacrylate,bicyclo[2.2.1]hept-2-ylmethyl methacrylate,CC(=C)C(=O)OCC1CC2CCC1C2,CC(=C)C(=O)OCC1CC2CCC1C2,"InChI=1/C12H18O2/c1-8(2)12(13)14-7-11-6-9-3-4-10(11)5-9/h9-11H,1,3-7H2,2H3",C12H18O2,,,,,,LTZJEGMQCRHIKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.735,233-822-5,10377-51-2,Lithium iodide,lithium iodide,[Li+].[I-],[Li+].[I-],InChI=1/HI.Li/h1H;/q;+1/p-1,ILi,,,,,,HSZCZNFXUDYRKD-UHFFFAOYSA-M,,,,,,,,,,,
100.037.873,241-677-4,17689-77-9,Triacetoxyethylsilane,ethylsilanetriyl triacetate,CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C,CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1/C8H14O6Si/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11/h5H2,1-4H3",C8H14O6Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14224,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.873,KXJLGCBCRCSXQF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.874,241-679-5,17690-26-5,"1,1'-(ethoxymethylsilylene)bis[hexahydro-2H-azepin-2-one]","1,1'-[ethoxy(methyl)silanediyl]diazepan-2-one",CCO[Si](C)(N1CCCCCC1=O)N2CCCCCC2=O,CCO[Si](C)(N1CCCCCC1=O)N2CCCCCC2=O,"InChI=1/C15H28N2O3Si/c1-3-20-21(2,16-12-8-4-6-10-14(16)18)17-13-9-5-7-11-15(17)19/h3-13H2,1-2H3",C15H28N2O3Si,,,,,,YKNQNMMSURULGO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.255,236-596-6,13446-44-1,Dimanganese diphosphate,dimanganese(2+) diphosphate,[Mn+2].[Mn+2].[O-]P([O-])(=O)OP([O-])([O-])=O,[Mn+2].[Mn+2].[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1/2Mn.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4",H4O7P2.2Mn,,,,,,DCPYPDGUEOUKHG-UHFFFAOYSA-J,,,,,,,,,,,
100.047.113,251-841-7,34131-99-2,Decahydro-6-isopropyl-2-naphthol,6-isopropyldecahydronaphthalen-2-ol,CC(C)C1CCC2CC(O)CCC2C1,CC(C)C1CCC2CC(O)CCC2C1,"InChI=1/C13H24O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-14H,3-8H2,1-2H3",C13H24O,,,,,,JBMLIVNFPGPRCB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.124,251-853-2,34150-35-1,Isobutoxypropanol,1-isobutoxypropan-1-ol,CCC(O)OCC(C)C,CCC(O)OCC(C)C,"InChI=1/C7H16O2/c1-4-7(8)9-5-6(2)3/h6-8H,4-5H2,1-3H3",C7H16O2,,,,,,RVKCEMGSOAGADA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.250,251-991-3,34395-10-3,1-benzyl-3-[(1-methylethoxy)carbonyl]pyridinium chloride,1-benzyl-3-(isopropoxycarbonyl)pyridinium chloride,[Cl-].CC(C)OC(=O)c1ccc[n+](Cc2ccccc2)c1,[Cl-].CC(C)OC(=O)c1ccc[n+](Cc2ccccc2)c1,"InChI=1/C16H18NO2.ClH/c1-13(2)19-16(18)15-9-6-10-17(12-15)11-14-7-4-3-5-8-14;/h3-10,12-13H,11H2,1-2H3;1H/q+1;/p-1",C16H18NO2.Cl,,,,,,QOLZSDCQKOPCHX-UHFFFAOYSA-M,,,,,,,,,,,
100.047.251,251-992-9,34395-24-9,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C17H7F25O2/c1-2-5(43)44-4-3-6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)42/h2H,1,3-4H2",C17H7F25O2,,,,,,SWTZSHBOMGAQKX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.254,251-996-0,34396-64-0,"10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulphonamide monohydrochloride","10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulfonamide hydrochloride",Cl.CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C,Cl.CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C,"InChI=1/C19H25N3O2S2.ClH/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;/h6-12,14H,13H2,1-5H3;1H",C19H25N3O2S2.ClH,,,,,,YKXZRFSKLBBPQN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.346,267-501-6,67874-73-1,"4-(1,1-dimethylpropyl)cyclohexyl formate","4-(1,1-dimethylpropyl)cyclohexyl formate",CCC(C)(C)C1CCC(CC1)OC=O,CCC(C)(C)C1CCC(CC1)OC=O,"InChI=1/C12H22O2/c1-4-12(2,3)10-5-7-11(8-6-10)14-9-13/h9-11H,4-8H2,1-3H3",C12H22O2,,,,,,DYSYPCUGLFVYAR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.355,267-511-0,67874-82-2,"1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-7-yl formate","1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalen-7-yl formate",CC1(C)CC(OC=O)C=C2C(C)(C)C3CCC12C3,CC1(C)CC(OC=O)C=C2C(C)(C)C3CCC12C3,"InChI=1/C16H24O2/c1-14(2)9-12(18-10-17)7-13-15(3,4)11-5-6-16(13,14)8-11/h7,10-12H,5-6,8-9H2,1-4H3",C16H24O2,,,,,,WJZMQDGXHGRQSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.363,267-519-4,67875-06-3,Dipotassium 6-amino-5-[[5-[(3-chlorobenzoyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,dipotassium 6-amino-5-({5-[(3-chlorobenzoyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[K+].[K+].O=C(Nc3ccc(c(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c3)S([O-])(=O)=O)c4cc(Cl)ccc4,[K+].[K+].O=C(Nc3ccc(c(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c3)S([O-])(=O)=O)c4cc(Cl)ccc4,"InChI=1/C23H17ClN4O8S2.2K/c24-14-3-1-2-13(8-14)23(30)26-15-5-7-20(38(34,35)36)18(10-15)27-28-22-17(25)6-4-12-9-16(37(31,32)33)11-19(29)21(12)22;;/h1-11,29H,25H2,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C23H17ClN4O8S2.2K,,,,,,VEKGKFKUKJZBHO-UHFFFAOYSA-L,,,,,,,,,,,
100.056.501,262-170-4,60317-40-0,Dodecyldiethoxymethylsilane,"(1,1-diethoxytridecyl)silane",CCCCCCCCCCCCC([SiH3])(OCC)OCC,CCCCCCCCCCCCC([SiH3])(OCC)OCC,"InChI=1/C17H38O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17(20,18-5-2)19-6-3/h4-16H2,1-3,20H3",C17H38O2Si,,,,,,SJVBSBVQBOEFGT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.503,262-173-0,60325-46-4,Sulprostone,7-[3-hydroxy-2-(3-hydroxy-4-phenoxybut-1-en-1-yl)-5-oxocyclopentyl]-N-(methylsulfonyl)hept-5-enamide,O[C@@H]2CC(=O)[C@H](CC=CCCCC(=O)NS(C)(=O)=O)[C@H]2C=C[C@@H](O)COc1ccccc1,O[C@@H]2CC(=O)[C@H](CC=CCCCC(=O)NS(C)(=O)=O)[C@H]2C=C[C@@H](O)COc1ccccc1,"InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)",C23H31NO7S,,,,,,UQZVCDCIMBLVNR-JWUVWSEFSA-N,,,,,,,,,,,
100.056.509,262-179-3,60329-37-5,"6-chloro-3-phenylpyridazin-4-ol, compound with ethylamine (1:1)",6-chloro-3-phenylpyridazin-4-ol - ethanamine (1:1),CCN.Oc1cc(Cl)nnc1c2ccccc2,CCN.Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O.C2H7N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-3/h1-6H,(H,12,14);2-3H2,1H3",C10H7ClN2O.C2H7N,,,,,,UYGCJCVDGZTXOK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.510,262-180-9,60329-41-1,"6-chloro-3-phenylpyridazin-4-ol, compound with piperidine (1:1)",6-chloro-3-phenylpyridazin-4-ol - piperidine (1:1),Oc1cc(Cl)nnc1c2ccccc2.C3CCNCC3,Oc1cc(Cl)nnc1c2ccccc2.C3CCNCC3,"InChI=1/C10H7ClN2O.C5H11N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-6H,(H,12,14);6H,1-5H2",C10H7ClN2O.C5H11N,,,,,,RREVNSXCHVPJOH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.846,260-350-7,56706-10-6,"4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane","4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane",CCO[Si](CCCSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CCCSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3",C18H42O6S2Si2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14258,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.846,FBBATURSCRIBHN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.538,252-308-1,34985-87-0,"7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, compound with 2,2,2-trichloroethane-1,1-diol (1:1)","7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one - 2,2,2-trichloroethane-1,1-diol (1:1)",CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13.OC(O)C(Cl)(Cl)Cl,CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13.OC(O)C(Cl)(Cl)Cl,"InChI=1/C16H13ClN2O.C2H3Cl3O2/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-9H,10H2,1H3;1,6-7H",C16H13ClN2O.C2H3Cl3O2,,,,,,SDWAACKJISOIGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.541,252-311-8,34994-91-7,"4,9-dihydroxy-3,5,8,10-tetraoxa-4,9-diphosphadodecane-1,12-diol 4,9-dioxide","ethane-1,2-diyl bis(2-hydroxyethyl) bis[hydrogen (phosphate)]",OCCOP(=O)(O)OCCOP(=O)(O)OCCO,OCCOP(=O)(O)OCCOP(=O)(O)OCCO,"InChI=1/C6H16O10P2/c7-1-3-13-17(9,10)15-5-6-16-18(11,12)14-4-2-8/h7-8H,1-6H2,(H,9,10)(H,11,12)",C6H16O10P2,,,,,,VZTUNSKRPZVUGG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.545,252-316-5,35005-61-9,N-(4-nitrophenyl)-ß-alanine,N-(4-nitrophenyl)-beta-alanine,OC(=O)CCNc1ccc(cc1)[N+](=O)[O-],OC(=O)CCNc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H10N2O4/c12-9(13)5-6-10-7-1-3-8(4-2-7)11(14)15/h1-4,10H,5-6H2,(H,12,13)",C9H10N2O4,,,,,,CKMRSZAIJYEUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.548,252-319-1,35019-66-0,"(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine","2,2-dimethyl-4-phenyl-1,3-dioxan-5-amine",CC1(C)OC[C@H](N)[C@@H](O1)c2ccccc2,CC1(C)OC[C@H](N)[C@@H](O1)c2ccccc2,"InChI=1/C12H17NO2/c1-12(2)14-8-10(13)11(15-12)9-6-4-3-5-7-9/h3-7,10-11H,8,13H2,1-2H3",C12H17NO2,,,,,,ILNGCJMEDIBPTL-QWRGUYRKSA-N,,,,,,,,,,,
100.047.553,252-324-9,35029-96-0,Lead(II) methylthiolate,methanethiol,CS,CS,"InChI=1/CH4S/c1-2/h2H,1H3",CH4S.1/2Pb,,,,,,LSDPWZHWYPCBBB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.565,252-338-5,35047-29-1,a-2-pyridylpyridine-2-methanol,dipyridin-2-ylmethanol,OC(c1ccccn1)c2ccccn2,OC(c1ccccn1)c2ccccn2,"InChI=1/C11H10N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8,11,14H",C11H10N2O,,,,,,XMKKDBULSAMYCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.578,252-352-1,35081-84-6,"N,N'-dioctadecylsebacamide","N,N'-dioctadecyldecanediamide",CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC,"InChI=1/C46H92N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-43-47-45(49)41-37-33-29-30-34-38-42-46(50)48-44-40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3,(H,47,49)(H,48,50)",C46H92N2O2,,,,,,YORJEABCJCAFPB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.029,266-052-3,66003-79-0,"2,6-dicyclopentylphenol","2,6-dicyclopentylphenol",Oc1c(cccc1C2CCCC2)C3CCCC3,Oc1c(cccc1C2CCCC2)C3CCCC3,"InChI=1/C16H22O/c17-16-14(12-6-1-2-7-12)10-5-11-15(16)13-8-3-4-9-13/h5,10-13,17H,1-4,6-9H2",C16H22O,,,,,,BMTAWHXOXODJBS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.033,266-057-0,66008-66-0,3-methyloct-1-en-3-yl acetate,1-methyl-1-vinylhexyl acetate,CCCCCC(C)(OC(=O)C)C=C,CCCCCC(C)(OC(=O)C)C=C,"InChI=1/C11H20O2/c1-5-7-8-9-11(4,6-2)13-10(3)12/h6H,2,5,7-9H2,1,3-4H3",C11H20O2,,,,,,XQORIFSEERBMJT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.036,266-060-7,66008-69-3,"2-[[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)sulphonyl]methylamino]ethyl acrylate","2-{[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)sulfonyl](methyl)amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H12F17NO4S/c1-3-7(34)37-5-4-33(2)38(35,36)6-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h3H,1,4-6H2,2H3",C15H12F17NO4S,,,,,,PIINPBJRTIJQBX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.037,266-061-2,66008-70-6,"2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulphonyl]amino]ethyl acrylate","2-{methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulfonyl]amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H12F13NO4S/c1-3-7(28)31-5-4-27(2)32(29,30)6-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h3H,1,4-6H2,2H3",C13H12F13NO4S,,,,,,JERPDWBDDQYOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.045,266-070-1,66027-80-3,"N-(5-amino-2-chlorophenyl)-2-chloro-4,4-dimethyl-3-oxovaleramide","N-(5-amino-2-chlorophenyl)-2-chloro-4,4-dimethyl-3-oxopentanamide",CC(C)(C)C(=O)C(Cl)C(=O)Nc1cc(N)ccc1Cl,CC(C)(C)C(=O)C(Cl)C(=O)Nc1cc(N)ccc1Cl,"InChI=1/C13H16Cl2N2O2/c1-13(2,3)11(18)10(15)12(19)17-9-6-7(16)4-5-8(9)14/h4-6,10H,16H2,1-3H3,(H,17,19)",C13H16Cl2N2O2,,,,,,HVCWEXJMNBBKJL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.046,266-071-7,66027-87-0,Dodecyl diethylsulphamate,dodecyl diethylsulfamate,CCCCCCCCCCCCOS(=O)(=O)N(CC)CC,CCCCCCCCCCCCOS(=O)(=O)N(CC)CC,"InChI=1/C16H35NO3S/c1-4-7-8-9-10-11-12-13-14-15-16-20-21(18,19)17(5-2)6-3/h4-16H2,1-3H3",C16H35NO3S,,,,,,GLYIJLJVXUQVSN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.305,267-456-2,67874-16-2,"1-[2-[(2-cyanoethyl)(1-oxododecyl)amino]ethyl]-1-ethyl-4,5-dihydro-2-undecyl-1H-imidazolium ethyl sulphate","1-{2-[(2-cyanoethyl)(dodecanoyl)amino]ethyl}-1-ethyl-2-undecyl-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C33H63N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-24-32-35-27-30-37(32,6-3)31-29-36(28-23-26-34)33(38)25-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-25,27-31H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C33H63N4O.C2H5O4S,,,,,,OKUBZTTZGMSIEF-UHFFFAOYSA-M,,,,,,,,,,,
100.061.306,267-457-8,67874-18-4,"1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-2-heptadecyl-4,5-dihydro-1-methyl-1H-imidazolium methyl sulphate","1-{2-[(2-cyanoethyl)(stearoyl)amino]ethyl}-2-heptadecyl-1-methyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C44H85N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-43-46-38-41-48(43,3)42-40-47(39-34-37-45)44(49)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-36,38-42H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C44H85N4O.CH3O4S,,,,,,JRNQTQQWVNRAFK-UHFFFAOYSA-M,,,,,,,,,,,
100.061.327,267-480-3,67874-53-7,"Octyl dihydrogen phosphate, compound with 2,2'-iminodiethanol","octyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C8H19O4P.C4H11NO2/c1-2-3-4-5-6-7-8-12-13(9,10)11;6-3-1-5-2-4-7/h2-8H2,1H3,(H2,9,10,11);5-7H,1-4H2",C8H19O4P.xC4H11NO2,,,,,,ITSXQPHPQLBAHV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.333,267-487-1,67874-60-6,Disodium 5-[[4-[[[[4-[(3-carboxylato-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-3-methylsalicylate,disodium 5-({4-[({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)-2-hydroxy-3-methylbenzoate,[Na+].[Na+].Cc4cc(N=Nc3ccc(NC(=O)Nc2ccc(N=Nc1cc(C([O-])=O)c(O)cc1)cc2)cc3)cc(C([O-])=O)c4O,[Na+].[Na+].Cc4cc(N=Nc3ccc(NC(=O)Nc2ccc(N=Nc1cc(C([O-])=O)c(O)cc1)cc2)cc3)cc(C([O-])=O)c4O,"InChI=1/C28H22N6O7.2Na/c1-15-12-21(14-23(25(15)36)27(39)40)34-32-19-8-4-17(5-9-19)30-28(41)29-16-2-6-18(7-3-16)31-33-20-10-11-24(35)22(13-20)26(37)38;;/h2-14,35-36H,1H3,(H,37,38)(H,39,40)(H2,29,30,41);;/q;2*+1/p-2",C28H22N6O7.2Na,,,,,,AUMQNJSSSLVXEE-UHFFFAOYSA-L,,,,,,,,,,,
100.061.339,267-493-4,67874-66-2,"2,4-dichloropentan-3-one","2,4-dichloropentan-3-one",CC(Cl)C(=O)C(C)Cl,CC(Cl)C(=O)C(C)Cl,"InChI=1/C5H8Cl2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3",C5H8Cl2O,,,,,,XNTVDJIRXYIWQH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.382,264-239-4,63467-44-7,"Sodium 3-(phenylazo)[1,1'-biphenyl]-4-olate",sodium 3-(phenyldiazenyl)biphenyl-4-olate,[Na+].[O-]c2ccc(cc2N=Nc1ccccc1)c3ccccc3,[Na+].[O-]c2ccc(cc2N=Nc1ccccc1)c3ccccc3,"InChI=1/C18H14N2O.Na/c21-18-12-11-15(14-7-3-1-4-8-14)13-17(18)20-19-16-9-5-2-6-10-16;/h1-13,21H;/q;+1/p-1",C18H14N2O.Na,,,,,,XTHMLOVTDKLLOR-UHFFFAOYSA-M,,,,,,,,,,,
100.058.385,264-243-6,63467-76-5,Triethylammonium (3-acetamidophenyl)dithiocarbamate,"N,N-diethylethanaminium (3-acetamidophenyl)dithiocarbamate",S=C([S-])Nc1cc(ccc1)NC(C)=O.CC[NH+](CC)CC,S=C([S-])Nc1cc(ccc1)NC(C)=O.CC[NH+](CC)CC,"InChI=1/C9H10N2OS2.C6H15N/c1-6(12)10-7-3-2-4-8(5-7)11-9(13)14;1-4-7(5-2)6-3/h2-5H,1H3,(H,10,12)(H2,11,13,14);4-6H2,1-3H3",C9H10N2OS2.C6H15N,,,,,,UOCUCTZLFULNNO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.390,264-248-3,63468-02-0,5-methyloct-3-en-2-one,5-methyloct-3-en-2-one,CC(=O)C=CC(C)CCC,CC(=O)C=CC(C)CCC,"InChI=1/C9H16O/c1-4-5-8(2)6-7-9(3)10/h6-8H,4-5H2,1-3H3",C9H16O,,,,,,NECROWMNPAXETR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.394,264-253-0,63468-70-2,2-aminooctanenitrile,2-aminooctanenitrile,CCCCCCC(N)C#N,CCCCCCC(N)C#N,"InChI=1/C8H16N2/c1-2-3-4-5-6-8(10)7-9/h8H,2-6,10H2,1H3",C8H16N2,,,,,,CJURZHVBRCKLPN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.403,264-263-5,63470-85-9,2-methoxy-N-[2-nitro-5-(phenylthio)phenyl]acetamide,2-methoxy-N-[2-nitro-5-(phenylsulfanyl)phenyl]acetamide,COCC(=O)Nc1cc(Sc2ccccc2)ccc1[N+](=O)[O-],COCC(=O)Nc1cc(Sc2ccccc2)ccc1[N+](=O)[O-],"InChI=1/C15H14N2O4S/c1-21-10-15(18)16-13-9-12(7-8-14(13)17(19)20)22-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,18)",C15H14N2O4S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16432,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.403,LBHWUDRAIQBYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.407,264-267-7,63484-12-8,Methyl 5-mesyl-o-anisate,methyl 2-methoxy-5-(methylsulfonyl)benzoate,COC(=O)c1cc(ccc1OC)S(=O)(=O)C,COC(=O)c1cc(ccc1OC)S(=O)(=O)C,"InChI=1/C10H12O5S/c1-14-9-5-4-7(16(3,12)13)6-8(9)10(11)15-2/h4-6H,1-3H3",C10H12O5S,,,,,,DSRPTFIZJVCPPS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.414,264-275-0,63494-97-3,"4,5-dihydro-a-methyl-2-undecyl-1H-imidazole-1-ethanol","1-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)propan-2-ol",CCCCCCCCCCCC1=NCCN1CC(C)O,CCCCCCCCCCCC1=NCCN1CC(C)O,"InChI=1/C17H34N2O/c1-3-4-5-6-7-8-9-10-11-12-17-18-13-14-19(17)15-16(2)20/h16,20H,3-15H2,1-2H3",C17H34N2O,,,,,,JIFMVZQVCUSZIO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.250,259-695-6,55525-54-7,"3,3'-(ureylenedimethylene)bis(3,5,5-trimethylcyclohexyl) diisocyanate","1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea",CC1(C)CC(CC(C)(CNC(=O)NCC2(C)CC(CC(C)(C)C2)N=C=O)C1)N=C=O,CC1(C)CC(CC(C)(CNC(=O)NCC2(C)CC(CC(C)(C)C2)N=C=O)C1)N=C=O,"InChI=1/C23H38N4O3/c1-20(2)7-17(26-15-28)9-22(5,11-20)13-24-19(30)25-14-23(6)10-18(27-16-29)8-21(3,4)12-23/h17-18H,7-14H2,1-6H3,(H2,24,25,30)",C23H38N4O3,,,,,,SLSSBKMDWYZIRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.279,236-622-6,13453-06-0,Diammonium tetraoxotellurate,diammonium tetraoxotellurate,[NH4+].[NH4+].O=[Te-2](=O)(=O)=O,[NH4+].[NH4+].O=[Te-2](=O)(=O)=O,"InChI=1/2H3N.O4Te/c;;1-5(2,3)4/h2*1H3;/q;;-2/p+2",H3N.1/2H2O4Te,,,,,,YKFORPGVEDKJCQ-UHFFFAOYSA-P,,,,,,,,,,,
100.033.285,236-628-9,13453-49-1,Thorium tetrabromide,thorium tetrabromide,[Br-].[Br-].[Br-].[Br-].[Th+2].[Th+2],[Br-].[Br-].[Br-].[Br-].[Th+2].[Th+2],InChI=1/4BrH.2Th/h4*1H;;/q;;;;2*+2/p-4,Br4Th,,,,,,MQNBRHLTJJWVJS-UHFFFAOYSA-J,,,,,,,,,,,
100.033.290,236-634-1,13453-84-4,Tetralithium orthosilicate,tetralithium orthosilicate,[Li+].[Li+].[Li+].[Li+].[O-][Si]([O-])([O-])[O-],[Li+].[Li+].[Li+].[Li+].[O-][Si]([O-])([O-])[O-],"InChI=1/4Li.O4Si/c;;;;1-5(2,3)4/q4*+1;-4",H4O4Si.4Li,,,,,,YTZVWGRNMGHDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.036.668,240-351-9,16227-10-4,"4-butyl-1,2,4-triazole","4-butyl-4H-1,2,4-triazole",CCCCn1cnnc1,CCCCn1cnnc1,"InChI=1/C6H11N3/c1-2-3-4-9-5-7-8-6-9/h5-6H,2-4H2,1H3",C6H11N3,,,,,,ZOMKCDYJHAQMCU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.669,240-352-4,16228-00-5,"3-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione","3-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C)NC(=O)N(CO)C1=O,CC1(C)NC(=O)N(CO)C1=O,"InChI=1/C6H10N2O3/c1-6(2)4(10)8(3-9)5(11)7-6/h9H,3H2,1-2H3,(H,7,11)",C6H10N2O3,,,,,,IVQCQIORBPXQGP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.671,240-355-0,16239-11-5,Hex-2-en-3-ol,hex-2-en-3-ol,CC=C(O)CCC,CC=C(O)CCC,"InChI=1/C6H12O/c1-3-5-6(7)4-2/h4,7H,3,5H2,1-2H3",C6H12O,,,,,,SPWMFXSIAMGJPC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.679,240-363-4,16255-48-4,"[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl stearate",2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,CCCCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O,"InChI=1/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)",C29H46Cl2N2O6,,,,,,IDWDXHQLOMJDRU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.686,240-371-8,16264-05-4,"1,4-bis(4-nitrophenyl)piperazine","1,4-bis(4-nitrophenyl)piperazine",[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)[N+](=O)[O-],"InChI=1/C16H16N4O4/c21-19(22)15-5-1-13(2-6-15)17-9-11-18(12-10-17)14-3-7-16(8-4-14)20(23)24/h1-8H,9-12H2",C16H16N4O4,,,,,,VCZGAOMAWKGNEF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.703,240-390-1,16302-35-5,"3,6-dihydro-4-methyl-2H-pyran","4-methyl-3,6-dihydro-2H-pyran",CC1=CCOCC1,CC1=CCOCC1,"InChI=1/C6H10O/c1-6-2-4-7-5-3-6/h2H,3-5H2,1H3",C6H10O,,,,,,PQGPYWUIWWYUGU-UHFFFAOYSA-N,,,,,,,,,,,
100.036.270,239-913-6,15814-45-6,Allyl 3-phenylpropionate,allyl 3-phenylpropanoate,C=CCOC(=O)CCc1ccccc1,C=CCOC(=O)CCc1ccccc1,"InChI=1/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2",C12H14O2,,,,,,XZZUAUYBSOXKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.274,239-917-8,15821-13-3,2-methylquinoline-4-carboxamide,2-methylquinoline-4-carboxamide,Cc1cc(C(=O)N)c2ccccc2n1,Cc1cc(C(=O)N)c2ccccc2n1,"InChI=1/C11H10N2O/c1-7-6-9(11(12)14)8-4-2-3-5-10(8)13-7/h2-6H,1H3,(H2,12,14)",C11H10N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17745,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.274,GPTOAZYKFYMYMW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.277,239-920-4,15823-89-9,Imolamine hydrochloride,"N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4(5H)-yl)ethanamine hydrochloride",Cl.CCN(CC)CCN1C(=N)ON=C1c2ccccc2,Cl.CCN(CC)CCN1C(=N)ON=C1c2ccccc2,"InChI=1/C14H20N4O.ClH/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12;/h5-9,15H,3-4,10-11H2,1-2H3;1H",C14H20N4O.ClH,,,,,,OMMBWIJMWMSGBX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.279,239-923-0,15825-24-8,Ruthenium trinitrate,-,[Ru+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ru+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Ru/c3*2-1(3)4;/q3*-1;+2,HNO3.1/3Ru,,,,,,QTIMHWVRHFMQEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.280,239-924-6,15825-70-4,Mannitol hexanitrate,"1,2,3,4,5,6-hexa-O-nitro-D-mannitol",[O-][N+](=O)OC[C@@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],[O-][N+](=O)OC[C@@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C6H8N6O18/c13-7(14)25-1-3(27-9(17)18)5(29-11(21)22)6(30-12(23)24)4(28-10(19)20)2-26-8(15)16/h3-6H,1-2H2",C6H8N6O18,,,,,,DGMJZELBSFOPHH-KVTDHHQDSA-N,,,,,,,,,,,
100.036.281,239-925-1,15826-16-1,Sodium 2-(dodecyloxy)ethyl sulphate,sodium 2-(dodecyloxy)ethyl sulfate,[Na+].CCCCCCCCCCCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOCCOS(=O)(=O)[O-],"InChI=1/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",C14H30O5S.Na,,,,,,ASEFUFIKYOCPIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.283,239-927-2,15826-50-3,N-(hydroxymethyl)sarcosine,N-(hydroxymethyl)-N-methylglycine,CN(CO)CC(=O)O,CN(CO)CC(=O)O,"InChI=1/C4H9NO3/c1-5(3-6)2-4(7)8/h6H,2-3H2,1H3,(H,7,8)",C4H9NO3,,,,,,GBHSCKFAHCEEAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.285,239-929-3,15827-10-8,Zinc pivalate,"zinc bis(2,2-dimethylpropanoate)",[Zn+2].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-],[Zn+2].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-],"InChI=1/2C5H10O2.Zn/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Zn,,,,,,HQBBDVUXOOMFQN-UHFFFAOYSA-L,,,,,,,,,,,
100.058.425,264-287-6,63512-55-0,3-methyl-2-[2-piperidinovinyl]benzothiazolium chloride,"3-methyl-2-(2-piperidin-1-ylvinyl)-1,3-benzothiazol-3-ium chloride",[Cl-].C[n+]1c(\\C=C\\N2CCCCC2)sc3ccccc13,[Cl-].C[n+]1c(\C=C\N2CCCCC2)sc3ccccc13,"InChI=1/C15H19N2S.ClH/c1-16-13-7-3-4-8-14(13)18-15(16)9-12-17-10-5-2-6-11-17;/h3-4,7-9,12H,2,5-6,10-11H2,1H3;1H/q+1;/p-1",C15H19N2S.Cl,,,,,,IISUOAKTJZTCTI-UHFFFAOYSA-M,,,,,,,,,,,
100.058.428,264-290-2,63512-64-1,Diisononylnaphthalene,"2,7-bis(7-methyloctyl)naphthalene",CC(C)CCCCCCc1ccc2ccc(CCCCCCC(C)C)cc2c1,CC(C)CCCCCCc1ccc2ccc(CCCCCCC(C)C)cc2c1,"InChI=1/C28H44/c1-23(2)13-9-5-7-11-15-25-17-19-27-20-18-26(22-28(27)21-25)16-12-8-6-10-14-24(3)4/h17-24H,5-16H2,1-4H3",C28H44,,,,,,ULFCXONFZSPCEM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.442,264-305-2,63549-43-9,"4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizin-9-yl)methyl]benzene-1,3-disulphonic acid","4-[bis(8-hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methyl]benzene-1,3-disulfonic acid",Oc1c2CCCN3CCCc(cc1C(c4cc5CCCN6CCCc(c4O)c56)c7ccc(cc7S(=O)(=O)O)S(=O)(=O)O)c23,Oc1c2CCCN3CCCc(cc1C(c4cc5CCCN6CCCc(c4O)c56)c7ccc(cc7S(=O)(=O)O)S(=O)(=O)O)c23,"InChI=1/C31H34N2O8S2/c34-30-22-7-3-13-32-11-1-5-18(28(22)32)15-24(30)27(21-10-9-20(42(36,37)38)17-26(21)43(39,40)41)25-16-19-6-2-12-33-14-4-8-23(29(19)33)31(25)35/h9-10,15-17,27,34-35H,1-8,11-14H2,(H,36,37,38)(H,39,40,41)",C31H34N2O8S2,,,,,,QIVGPQXLZYCSEP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.445,264-308-9,63551-41-7,2-tert-butyl-6-ethylphenol,2-tert-butyl-6-ethylphenol,CCc1cccc(c1O)C(C)(C)C,CCc1cccc(c1O)C(C)(C)C,"InChI=1/C12H18O/c1-5-9-7-6-8-10(11(9)13)12(2,3)4/h6-8,13H,5H2,1-4H3",C12H18O,,,,,,APIQWHVRWQYLFW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.447,264-311-5,63556-21-8,Sodium N-(2-hydroxyethyl)-N-[2-[(1-oxotetradecyl)amino]ethyl]glycinate,sodium {(2-hydroxyethyl)[2-(tetradecanoylamino)ethyl]amino}acetate,[Na+].CCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-],[Na+].CCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-],"InChI=1/C20H40N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)21-14-15-22(16-17-23)18-20(25)26;/h23H,2-18H2,1H3,(H,21,24)(H,25,26);/q;+1/p-1",C20H40N2O4.Na,,,,,,IDXHDUOOTUFFOX-UHFFFAOYSA-M,,,,,,,,,,,
100.058.460,264-325-1,63573-57-9,2-[4-[(butylsulphonyl)amino]phenoxy]tetradecanoic acid,2-{4-[(butylsulfonyl)amino]phenoxy}tetradecanoic acid,CCCCCCCCCCCCC(Oc1ccc(NS(=O)(=O)CCCC)cc1)C(=O)O,CCCCCCCCCCCCC(Oc1ccc(NS(=O)(=O)CCCC)cc1)C(=O)O,"InChI=1/C24H41NO5S/c1-3-5-7-8-9-10-11-12-13-14-15-23(24(26)27)30-22-18-16-21(17-19-22)25-31(28,29)20-6-4-2/h16-19,23,25H,3-15,20H2,1-2H3,(H,26,27)",C24H41NO5S,,,,,,VBTORCSBKALMIO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.296,259-745-7,55667-43-1,"1,1-dichloro-4-methylpenta-1,3-diene","1,1-dichloro-4-methylpenta-1,3-diene",CC(=CC=C(Cl)Cl)C,CC(=CC=C(Cl)Cl)C,"InChI=1/C6H8Cl2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3",C6H8Cl2,,,,,,YYOLVILSZOVWLS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.299,259-748-3,55676-76-1,"Dimethyl [1,1'-biphenyl]-3,4'-dicarboxylate","dimethyl biphenyl-3,4'-dicarboxylate",COC(=O)c1ccc(cc1)c2cc(ccc2)C(=O)OC,COC(=O)c1ccc(cc1)c2cc(ccc2)C(=O)OC,"InChI=1/C16H14O4/c1-19-15(17)12-8-6-11(7-9-12)13-4-3-5-14(10-13)16(18)20-2/h3-10H,1-2H3",C16H14O4,,,,,,WECHJLDENFZQRV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.300,259-749-9,55676-77-2,"Dimethyl [1,1'-biphenyl]-2,4'-dicarboxylate","dimethyl biphenyl-2,4'-dicarboxylate",COC(=O)c1ccc(cc1)c2ccccc2C(=O)OC,COC(=O)c1ccc(cc1)c2ccccc2C(=O)OC,"InChI=1/C16H14O4/c1-19-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16(18)20-2/h3-10H,1-2H3",C16H14O4,,,,,,PPOLWSVBCNDIAF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.302,259-752-5,55680-38-1,"2,2-bis(hydroxymethyl)butyl octanoate","2,2-bis(hydroxymethyl)butyl octanoate",CCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C14H28O4/c1-3-5-6-7-8-9-13(17)18-12-14(4-2,10-15)11-16/h15-16H,3-12H2,1-2H3",C14H28O4,,,,,,VTXXMYYOSSNAFD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.309,259-759-3,55694-87-6,"(R)-4-[(1-methyl-3-oxobut-1-enyl)amino]isoxazolidin-3-one, monosodium salt",-,[Na+].CC(N[C@@H]1CONC1=O)=CC(C)=O,[Na+].CC(N[C@@H]1CONC1=O)=CC(C)=O,"InChI=1/C8H12N2O3.Na/c1-5(3-6(2)11)9-7-4-13-10-8(7)12;/h3,7,9H,4H2,1-2H3,(H,10,12);/q;+1",C8H12N2O3.Na,,,,,,QJUNMGBNXIOATH-OGFXRTJISA-N,,,,,,,,,,,
100.054.310,259-760-9,55695-36-8,"1-(2,2,4-trimethyl-3-cyclohexen-1-yl)ethan-1-one","1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanone",CC(=O)C1CCC(=CC1(C)C)C,CC(=O)C1CCC(=CC1(C)C)C,"InChI=1/C11H18O/c1-8-5-6-10(9(2)12)11(3,4)7-8/h7,10H,5-6H2,1-4H3",C11H18O,,,,,,APIYGDOSJKQKKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.313,259-764-0,55698-27-6,"Disodium 4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-3',5-dimethyl-4-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-3-sulphonate","disodium 3',5-dimethyl-4'-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-3-sulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3c(cc(cc3C)c6ccc(N=NC5C(\\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)c(C)c6)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3c(cc(cc3C)c6ccc(N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)c(C)c6)S([O-])(=O)=O,"InChI=1/C37H32N6O10S3.2Na/c1-22-5-14-32(15-6-22)56(51,52)53-30-12-8-28(9-13-30)38-40-35-24(3)20-27(21-34(35)55(48,49)50)26-7-18-33(23(2)19-26)39-41-36-25(4)42-43(37(36)44)29-10-16-31(17-11-29)54(45,46)47;;/h5-21,36H,1-4H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C37H32N6O10S3.2Na,,,,,,IXVRKGLTSYAEMD-UHFFFAOYSA-L,,,,,,,,,,,
100.060.051,266-076-4,66027-99-4,"N-[2-[2-[bis(2-methylpropyl)phenoxy]ethoxy]ethyl]-N,N-dimethylamine","2-[2-(2,3-diisobutylphenoxy)ethoxy]-N,N-dimethylethanamine",CC(C)Cc1cccc(OCCOCCN(C)C)c1CC(C)C,CC(C)Cc1cccc(OCCOCCN(C)C)c1CC(C)C,"InChI=1/C20H35NO2/c1-16(2)14-18-8-7-9-20(19(18)15-17(3)4)23-13-12-22-11-10-21(5)6/h7-9,16-17H,10-15H2,1-6H3",C20H35NO2,,,,,,UQHKVRFAYPCQOO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.058,266-084-8,66037-55-6,Ethyl 5-[(4-aminophenyl)methyl]anthranilate,ethyl 2-amino-5-(4-aminobenzyl)benzoate,CCOC(=O)c1cc(Cc2ccc(N)cc2)ccc1N,CCOC(=O)c1cc(Cc2ccc(N)cc2)ccc1N,"InChI=1/C16H18N2O2/c1-2-20-16(19)14-10-12(5-8-15(14)18)9-11-3-6-13(17)7-4-11/h3-8,10H,2,9,17-18H2,1H3",C16H18N2O2,,,,,,DPCSKJGUTXCIHE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.062,266-089-5,66048-53-1,"Guanosine 2',3',5'-tribenzoate","2',3',5'-tri-O-benzoylguanosine",NC1=Nc2c(ncn2[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c5ccccc5)[C@H]3OC(=O)c6ccccc6)C(=O)N1,NC1=Nc2c(ncn2[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c5ccccc5)[C@H]3OC(=O)c6ccccc6)C(=O)N1,"InChI=1/C31H25N5O8/c32-31-34-25-22(26(37)35-31)33-17-36(25)27-24(44-30(40)20-14-8-3-9-15-20)23(43-29(39)19-12-6-2-7-13-19)21(42-27)16-41-28(38)18-10-4-1-5-11-18/h1-15,17,21,23-24,27H,16H2,(H3,32,34,35,37)",C31H25N5O8,,,,,,WZRBAVDJTYIQBI-VBHAUSMQSA-N,,,,,,,,,,,
100.060.970,267-087-7,67786-07-6,"Trisodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-[(3-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-[(3-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3cccc(c3)S([O-])(=O)=O)c4O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3cccc(c3)S([O-])(=O)=O)c4O)S([O-])(=O)=O,"InChI=1/C22H16N6O12S3.3Na/c23-19-18-11(8-16(42(35,36)37)20(19)26-24-12-4-6-14(7-5-12)28(30)31)9-17(43(38,39)40)21(22(18)29)27-25-13-2-1-3-15(10-13)41(32,33)34;;;/h1-10,29H,23H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3",C22H16N6O12S3.3Na,,,,,,BBZIESZOMSQAAG-UHFFFAOYSA-K,,,,,,,,,,,
100.060.973,267-090-3,67786-14-5,Sodium 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]naphthalene-2-sulphonate,sodium 6-amino-4-hydroxy-5-{[2-(trifluoromethyl)phenyl]diazenyl}naphthalene-2-sulfonate,[Na+].FC(F)(F)c3ccccc3N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O,[Na+].FC(F)(F)c3ccccc3N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O,"InChI=1/C17H12F3N3O4S.Na/c18-17(19,20)11-3-1-2-4-13(11)22-23-16-12(21)6-5-9-7-10(28(25,26)27)8-14(24)15(9)16;/h1-8,24H,21H2,(H,25,26,27);/q;+1/p-1",C17H12F3N3O4S.Na,,,,,,ZJKLNUHASXGERK-UHFFFAOYSA-M,,,,,,,,,,,
100.060.974,267-091-9,67786-15-6,"Sodium 3-[[3-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-4-methoxybenzenesulphonate","sodium 3-({3-[(3-amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)-4-methoxybenzenesulfonate",[Na+].Oc2c(ccc(O)c2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc3cc(ccc3OC)S([O-])(=O)=O,[Na+].Oc2c(ccc(O)c2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc3cc(ccc3OC)S([O-])(=O)=O,"InChI=1/C19H16N6O8S.Na/c1-33-17-7-3-11(34(30,31)32)9-14(17)23-22-13-4-6-16(26)18(19(13)27)24-21-10-2-5-15(25(28)29)12(20)8-10;/h2-9,26-27H,20H2,1H3,(H,30,31,32);/q;+1/p-1",C19H16N6O8S.Na,,,,,,RRIXZCUININRSR-UHFFFAOYSA-M,,,,,,,,,,,
100.060.975,267-092-4,67786-17-8,Sodium 7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulphonate,sodium 7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonate,[Na+].Nc1ccc(cc1)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-],[Na+].Nc1ccc(cc1)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-],"InChI=1/C17H14N2O5S.Na/c18-12-3-1-10(2-4-12)17(21)19-13-5-6-15-11(7-13)8-14(9-16(15)20)25(22,23)24;/h1-9,20H,18H2,(H,19,21)(H,22,23,24);/q;+1/p-1",C17H14N2O5S.Na,,,,,,UOUSHAPCJFJPJC-UHFFFAOYSA-M,,,,,,,,,,,
100.060.981,267-099-2,67791-81-5,2-chloro-N-ethylpropionamide,2-chloro-N-ethylpropanamide,CCNC(=O)C(C)Cl,CCNC(=O)C(C)Cl,"InChI=1/C5H10ClNO/c1-3-7-5(8)4(2)6/h4H,3H2,1-2H3,(H,7,8)",C5H10ClNO,,,,,,RESXWKTXWDVKIF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.982,267-100-6,67797-68-6,"1,3,5-triazine-2,4,6-triamine monooxalate","1,3,5-triazine-2,4,6-triamine oxalate",Nc1nc(N)nc(N)n1.OC(=O)C(=O)O,Nc1nc(N)nc(N)n1.OC(=O)C(=O)O,"InChI=1/C3H6N6.C2H2O4/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6)",C3H6N6.C2H2O4,,,,,,OWUDFCCCSKRXAN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.987,267-105-3,67800-81-1,"Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate",cedran-9-yl acetate,CC1C(CC23CC1C(C)(C)C2CCC3C)OC(=O)C,CC1C(CC23CC1C(C)(C)C2CCC3C)OC(=O)C,"InChI=1/C17H28O2/c1-10-6-7-15-16(4,5)13-8-17(10,15)9-14(11(13)2)19-12(3)18/h10-11,13-15H,6-9H2,1-5H3",C17H28O2,,,,,,DITDUMQEBPPYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.991,267-110-0,67800-85-5,"5-(1,3-dimethyl-1-butenyl)dihydrofuran-2(3H)-one","5-(1,3-dimethylbut-1-en-1-yl)dihydrofuran-2(3H)-one",CC(C)C=C(C)C1CCC(=O)O1,CC(C)C=C(C)C1CCC(=O)O1,"InChI=1/C10H16O2/c1-7(2)6-8(3)9-4-5-10(11)12-9/h6-7,9H,4-5H2,1-3H3",C10H16O2,,,,,,FXCKJKMSFIQXFM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.851,260-355-4,56724-21-1,"D-(+)-threo-2-amino-1-(p-methylsulphonylphenyl)propane-1,3-diol hydrochloride","2-amino-1-[4-(methylsulfonyl)phenyl]propane-1,3-diol hydrochloride",Cl.CS(=O)(=O)c1ccc(cc1)C(O)C(N)CO,Cl.CS(=O)(=O)c1ccc(cc1)C(O)C(N)CO,"InChI=1/C10H15NO4S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12;/h2-5,9-10,12-13H,6,11H2,1H3;1H",C10H15NO4S.ClH,,,,,,LDWKRIYCDUIKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.263,259-709-0,55566-30-8,Tetrakis(hydroxymethyl)phosphonium sulphate(2:1),bis[tetrakis(hydroxymethyl)phosphonium] sulfate,OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],"InChI=1/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2",C4H12O4P.1/2O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16415,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.263,YIEDHPBKGZGLIK-UHFFFAOYSA-L,,,,,,,,,,,
100.054.265,259-711-1,55567-81-2,trans-(±)-[2-(ethoxycarbonyl)-2-phenylcyclohex-5-enyl]dimethylammonium hydrogen fumarate,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate but-2-enedioate,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2.OC(=O)\\C=C\\C(=O)O,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2.OC(=O)\C=C\C(=O)O,"InChI=1/C17H23NO2.C4H4O4/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;5-3(6)1-2-4(7)8/h5-8,10-12,15H,4,9,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)",C17H23NO2.C4H4O4,,,,,,PMBFJKOESQBPHB-RMLXEDMZSA-N,,,,,,,,,,,
100.054.275,259-722-1,55617-55-5,"Nonyl (2,4-dichlorophenoxy)acetate","nonyl (2,4-dichlorophenoxy)acetate",CCCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl,CCCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C17H24Cl2O3/c1-2-3-4-5-6-7-8-11-21-17(20)13-22-16-10-9-14(18)12-15(16)19/h9-10,12H,2-8,11,13H2,1H3",C17H24Cl2O3,,,,,,ROCGYVVXBRTTJN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.276,259-723-7,55617-85-1,"Dimethylammonium 2-(2,4,5-trichlorophenoxy)propionate","N-methylmethanaminium 2-(2,4,5-trichlorophenoxy)propanoate",C[NH2+]C.CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],C[NH2+]C.CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H7Cl3O3.C2H7N/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;1-3-2/h2-4H,1H3,(H,13,14);3H,1-2H3",C9H7Cl3O3.C2H7N,,,,,,IOLPQKZYGWAYQO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.278,259-725-8,55619-18-6,"2,2'-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]imino]bisethyl diacetate","({4-[(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C20H20Br2N4O6/c1-13(27)31-9-7-25(8-10-32-14(2)28)16-5-3-15(4-6-16)23-24-20-18(21)11-17(26(29)30)12-19(20)22/h3-6,11-12H,7-10H2,1-2H3",C20H20Br2N4O6,,,,,,AKGBLCAZNYPAGT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.282,259-730-5,55627-73-1,8-bromoinosine,8-bromo-9-beta-D-ribofuranosyl-9H-purin-6-ol,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(Br)nc3c(O)ncnc23,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(Br)nc3c(O)ncnc23,"InChI=1/C10H11BrN4O5/c11-10-14-4-7(12-2-13-8(4)19)15(10)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,12,13,19)",C10H11BrN4O5,,,,,,XCAXTILLADBPII-UUOKFMHZSA-N,,,,,,,,,,,
100.054.287,259-735-2,55643-30-6,"1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol","6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C,CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C,"InChI=1/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3",C19H27NO,,,,,,VOKSWYLNZZRQPF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.290,259-738-9,55648-03-8,"2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione, compound with 2,2',2''-nitrilotriethanol (1:1)","2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione - 2,2',2''-nitrilotriethanol (1:1)",CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O.OCCN(CCO)CCO,CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O.OCCN(CCO)CCO,"InChI=1/C18H16O7.C6H15NO3/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;8-4-1-7(2-5-9)3-6-10/h5,11,22-23H,1-4H3;8-10H,1-6H2",C18H16O7.C6H15NO3,,,,,,RULZVYDQGSZNRR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.292,259-741-5,55656-86-5,Potassium tridecanoate,potassium tridecanoate,[K+].[K+].[K+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[K+].[K+].[K+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/3C10H20O2.3K/c3*1-2-3-4-5-6-7-8-9-10(11)12;;;/h3*2-9H2,1H3,(H,11,12);;;/q;;;3*+1/p-3",C13H26O2.K,,,,,,YSSUUDHFUKLCDQ-UHFFFAOYSA-K,,,,,,,,,,,
100.047.098,251-824-4,34094-21-8,(3-bromopropyl)cyclohexane,(3-bromopropyl)cyclohexane,BrCCCC1CCCCC1,BrCCCC1CCCCC1,"InChI=1/C9H17Br/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8H2",C9H17Br,,,,,,SAJKBMWWUCUTBI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.099,251-826-5,34097-16-0,"9-chloro-6a-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate","9-chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3",C27H36ClFO5,,,,,,SXYZQZLHAIHKKY-GSTUPEFVSA-N,,,,,,,,,,,
100.036.293,239-938-2,15834-05-6,"2,2-dimethylpropane-1,3-diyl dinonanoate","2,2-dimethylpropane-1,3-diyl dinonanoate",CCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCC,CCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCC,"InChI=1/C23H44O4/c1-5-7-9-11-13-15-17-21(24)26-19-23(3,4)20-27-22(25)18-16-14-12-10-8-6-2/h5-20H2,1-4H3",C23H44O4,,,,,,AHSZBZTYLKTYJI-UHFFFAOYSA-N,,,,,,,,,,,
100.036.294,239-939-8,15834-06-7,"2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate",2-[(heptanoyloxy)methyl]-2-[(nonanoyloxy)methyl]butyl nonanoate (non-preferred name),CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC,CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC,"InChI=1/C31H58O6/c1-5-9-12-15-17-20-23-29(33)36-26-31(8-4,25-35-28(32)22-19-14-11-7-3)27-37-30(34)24-21-18-16-13-10-6-2/h5-27H2,1-4H3",C31H58O6,,,,,,WISHAYXBCWYEPX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.300,239-946-6,15843-02-4,"Formic acid, nickel salt",-,[Ni+2].[O-]C=O,[Ni+2].[O-]C=O,"InChI=1/CH2O2.Ni/c2-1-3;/h1H,(H,2,3);/q;+2/p-1",CH2O2.xNi,,,,,,ZPWLTNIMFBOTLB-UHFFFAOYSA-M,,,,,,,,,,,
100.036.302,239-948-7,15843-42-2,Iron oxalate,iron(2+) oxalate,[Fe+2].[O-]C(=O)C(=O)[O-],[Fe+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.xFe,,,,,,OWZIYWAUNZMLRT-UHFFFAOYSA-L,,,,,,,,,,,
100.036.308,239-955-5,15846-14-7,"4,6-dimethoxy-5-nitropyrimidine","4,6-dimethoxy-5-nitropyrimidine",COc1ncnc(OC)c1[N+](=O)[O-],COc1ncnc(OC)c1[N+](=O)[O-],"InChI=1/C6H7N3O4/c1-12-5-4(9(10)11)6(13-2)8-3-7-5/h3H,1-2H3",C6H7N3O4,,,,,,VPNSJECDVDBDTA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.311,239-958-1,15846-31-8,"4-amino-1,4,5,6-tetrahydro-2,4-dimethyl-6-oxonicotinamide","4-amino-2,4-dimethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide",CC1=C(C(=O)N)C(C)(N)CC(=O)N1,CC1=C(C(=O)N)C(C)(N)CC(=O)N1,"InChI=1/C8H13N3O2/c1-4-6(7(9)13)8(2,10)3-5(12)11-4/h3,10H2,1-2H3,(H2,9,13)(H,11,12)",C8H13N3O2,,,,,,LHDXJPNRNDAPTK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.312,239-959-7,15847-64-0,1-(4-phenyl-4-piperidyl)propan-1-one hydrochloride,1-(4-phenylpiperidin-4-yl)propan-1-one hydrochloride,Cl.CCC(=O)C1(CCNCC1)c2ccccc2,Cl.CCC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C14H19NO.ClH/c1-2-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H",C14H19NO.ClH,,,,,,YUIHHNJRRHSETH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.379,259-836-1,55812-59-4,"Ammonium 9,10-dihydro-9,10-dioxoanthracene-1-sulphonate","ammonium 9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[NH4+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,[NH4+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8O5S.H3N/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;/h1-7H,(H,17,18,19);1H3",C14H8O5S.H3N,,,,,,DYEWIYCIFREDCH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.388,259-846-6,55836-69-6,m-ethoxybenzamide,3-ethoxybenzamide,CCOc1cccc(c1)C(=O)N,CCOc1cccc(c1)C(=O)N,"InChI=1/C9H11NO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)",C9H11NO2,,,,,,NDOYNKFWOCOOIR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.392,259-850-8,55837-23-5,Teflutixol,2-(4-{3-[6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-yl]propyl}piperazin-1-yl)ethanol,OCCN1CCN(CCCC2c3ccc(F)cc3Sc4ccc(cc24)C(F)(F)F)CC1,OCCN1CCN(CCCC2c3ccc(F)cc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2",C23H26F4N2OS,,,,,,BJWAPFORUPUXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.393,259-851-3,55837-25-7,Buflomedil,"4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one",COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,"InChI=1/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3",C17H25NO4,,,,,,OWYLAEYXIQKAOL-UHFFFAOYSA-N,Positive,EQ306801|EQ306802|EQ306803|EQ306804|EQ306805|EQ306806,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,308.1853:140.1068:237.1119|237.1119:140.1069:308.1853|237.1119:195.065:140.1068|195.065:237.1119:181.0857|195.065:181.0857:180.0415|195.065:152.0467:180.0415,Eawag,,,,,
100.054.398,259-857-6,55844-53-6,"(1,1-dimethoxyethoxy)cyclohexane","(1,1-dimethoxyethoxy)cyclohexane",COC(C)(OC)OC1CCCCC1,COC(C)(OC)OC1CCCCC1,"InChI=1/C10H20O3/c1-10(11-2,12-3)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",C10H20O3,,,,,,LQRKZOZBVHLCAS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.402,259-861-8,55852-83-0,"12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione phosphate (1:1)",-,CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.[O-]P(=O)([O-])[O-],CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.[O-]P(=O)([O-])[O-],"InChI=1/C31H39N5O5.H3O4P/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);(H3,1,2,3,4)/p-3",C31H39N5O5.H3O4P,,,,,,YVCZHSXMHRDXIC-CWNVUFIVSA-K,,,,,,,,,,,
100.054.408,259-868-6,55859-88-6,Dysprosium trisodium bis(phosphate),dysprosium trisodium bis(phosphate),[Na+].[Na+].[Na+].[Dy+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[Dy+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Dy.3Na.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6",Dy.2H3O4P.3Na,,,,,,JMKUHSHSXFLKIG-UHFFFAOYSA-H,,,,,,,,,,,
100.054.415,259-875-4,55879-73-7,"2,6-xylyl methacrylate","2,6-dimethylphenyl methacrylate",CC(=C)C(=O)Oc1c(C)cccc1C,CC(=C)C(=O)Oc1c(C)cccc1C,"InChI=1/C12H14O2/c1-8(2)12(13)14-11-9(3)6-5-7-10(11)4/h5-7H,1H2,2-4H3",C12H14O2,,,,,,UWDKOKUSUKKWOT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.316,259-767-7,55700-14-6,Cadmium bis(4-cyclohexylbutyrate),cadmium bis(4-cyclohexylbutanoate),[Cd+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,[Cd+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,"InChI=1/2C10H18O2.Cd/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Cd,,,,,,QLTARLRQJWXGGA-UHFFFAOYSA-L,,,,,,,,,,,
100.054.317,259-768-2,55701-05-8,"3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid","3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid",CC1(C)C(C=C(Cl)Cl)C1C(=O)O,CC1(C)C(C=C(Cl)Cl)C1C(=O)O,"InChI=1/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)",C8H10Cl2O2,,,,,,LLMLSUSAKZVFOA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.318,259-769-8,55703-66-7,"4-acetyl-3,5-dimethoxybenzoic acid","4-acetyl-3,5-dimethoxybenzoic acid",COc1cc(cc(OC)c1C(=O)C)C(=O)O,COc1cc(cc(OC)c1C(=O)C)C(=O)O,"InChI=1/C11H12O5/c1-6(12)10-8(15-2)4-7(11(13)14)5-9(10)16-3/h4-5H,1-3H3,(H,13,14)",C11H12O5,,,,,,YDAUNLHADFMIBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.324,259-776-6,55719-89-6,"5-phenyl-1H-tetrazole, calcium salt",calcium bis(5-phenyltetrazol-1-ide),[Ca](n1nnnc1c2ccccc2)n3nnnc3c4ccccc4,[Ca](n1nnnc1c2ccccc2)n3nnnc3c4ccccc4,InChI=1/2C7H5N4.Ca/c2*1-2-4-6(5-3-1)7-8-10-11-9-7;/h2*1-5H;/q2*-1;+2/rC14H10CaN8/c1-3-7-11(8-4-1)13-16-18-20-22(13)15-23-14(17-19-21-23)12-9-5-2-6-10-12/h1-10H,C7H6N4.1/2Ca,,,,,,LIQUIQYZHDBODX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.270,252-013-8,34427-79-7,Proxifezone,"1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate - 4-butyl-5-hydroxy-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one (1:1)",CCCCC1=C(O)N(N(C1=O)c2ccccc2)c3ccccc3.CCC(=O)OC(Cc4ccccc4)(C(C)CN(C)C)c5ccccc5,CCCCC1=C(O)N(N(C1=O)c2ccccc2)c3ccccc3.CCC(=O)OC(Cc4ccccc4)(C(C)CN(C)C)c5ccccc5,"InChI=1/C22H29NO2.C19H20N2O2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h6-15,18H,5,16-17H2,1-4H3;4-13,22H,2-3,14H2,1H3",C22H29NO2.C19H20N2O2,,,,,,IUTSUHBXMNNSGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.271,252-014-3,34428-39-2,2-hydroxyethyl 3-methylsalicylate,2-hydroxyethyl 2-hydroxy-3-methylbenzoate,Cc1cccc(C(=O)OCCO)c1O,Cc1cccc(C(=O)OCCO)c1O,"InChI=1/C10H12O4/c1-7-3-2-4-8(9(7)12)10(13)14-6-5-11/h2-4,11-12H,5-6H2,1H3",C10H12O4,,,,,,JKOGEZFQRFHRGT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.272,252-015-9,34428-50-7,"3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, calcium salt (2:1)",-,[Ca+2].CN1C(=O)NC(=O)c2c1ncn2C,[Ca+2].CN1C(=O)NC(=O)c2c1ncn2C,"InChI=1/C7H8N4O2.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);/q;+2",C7H8N4O2.1/2Ca,,,,,,OXXSBBRVUIKPMA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.280,252-024-8,34435-60-4,"7,10-dihydro-7-methyl-10-oxo-1H-[1,3]dioxino[5,4-f]quinoline-9-carboxylic acid","7-methyl-10-oxo-7,10-dihydro-1H-[1,3]dioxino[5,4-f]quinoline-9-carboxylic acid",CN1C=C(C(=O)O)C(=O)c2c3COCOc3ccc12,CN1C=C(C(=O)O)C(=O)c2c3COCOc3ccc12,"InChI=1/C13H11NO5/c1-14-4-7(13(16)17)12(15)11-8-5-18-6-19-10(8)3-2-9(11)14/h2-4H,5-6H2,1H3,(H,16,17)",C13H11NO5,,,,,,DVNWZDISVTYKOF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.284,252-029-5,34443-12-4,OO-tert-butyl O-(2-ethylhexyl) peroxycarbonate,3-({[(tert-butylperoxy)carbonyl]oxy}methyl)heptane,CCCCC(CC)COC(=O)OOC(C)(C)C,CCCCC(CC)COC(=O)OOC(C)(C)C,"InChI=1/C13H26O4/c1-6-8-9-11(7-2)10-15-12(14)16-17-13(3,4)5/h11H,6-10H2,1-5H3",C13H26O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14350,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.284,BRQMAAFGEXNUOL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.285,252-030-0,34444-01-4,Cefamandole,7-{[hydroxy(phenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(=O)O,Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(=O)O,"InChI=1/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)",C18H18N6O5S2,,,,,,OLVCFLKTBJRLHI-AXAPSJFSSA-N,Positive/Negative,mzcloud:1799,[M+H]+,HCD_Averaged,347.0696:319.0747:185.0379:158.0270,HighChem,mzcloud:1799,[M-H]-,HCD_Averaged,345.0551:301.06524:101.03967:71.97877:188.03532:115.0084:57.97568,HighChem
100.047.286,252-031-6,34446-26-9,"N,N-diethyl-4-[[4-[(p-nitrophenyl)azo]-1-naphthyl]azo]-m-toluidine","N,N-diethyl-3-methyl-4-({4-[(4-nitrophenyl)diazenyl]-1-naphthyl}diazenyl)aniline",[O-][N+](=O)c1ccc(cc1)N=Nc4ccc(N=Nc2ccc(cc2C)N(CC)CC)c3ccccc34,[O-][N+](=O)c1ccc(cc1)N=Nc4ccc(N=Nc2ccc(cc2C)N(CC)CC)c3ccccc34,"InChI=1/C27H26N6O2/c1-4-32(5-2)22-14-15-25(19(3)18-22)29-31-27-17-16-26(23-8-6-7-9-24(23)27)30-28-20-10-12-21(13-11-20)33(34)35/h6-18H,4-5H2,1-3H3",C27H26N6O2,,,,,,DZQBPRXAQZNPHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.288,252-033-7,34448-03-8,7-bromo-5-methyl-8-quinolyl furoate,7-bromo-5-methylquinolin-8-yl 2-furoate,Cc1cc(Br)c(OC(=O)c2occc2)c3ncccc13,Cc1cc(Br)c(OC(=O)c2occc2)c3ncccc13,"InChI=1/C15H10BrNO3/c1-9-8-11(16)14(13-10(9)4-2-6-17-13)20-15(18)12-5-3-7-19-12/h2-8H,1H3",C15H10BrNO3,,,,,,RYGDMVPOAPOXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.289,252-034-2,34448-33-4,"Menthane, tetradehydro derivative","1-isopropyl-4-methylcyclohexa-1,4-diene",CC(C)C1=CCC(=CC1)C,CC(C)C1=CCC(=CC1)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",C10H16,,,,,,YKFLAYDHMOASIY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.292,252-037-9,34451-66-6,2-ethyl-2-hydroxybutyronitrile,2-ethyl-2-hydroxybutanenitrile,CCC(O)(CC)C#N,CCC(O)(CC)C#N,"InChI=1/C6H11NO/c1-3-6(8,4-2)5-7/h8H,3-4H2,1-2H3",C6H11NO,,,,,,QWJRZIUNOYNJIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.857,260-362-2,56744-47-9,"[hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonic acid, sodium salt",sodium hydrogen {[{6-[bis(phosphonomethyl)amino]hexyl}(phosphonomethyl)amino]methyl}phosphonate,OP(=O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O[Na])CP(=O)(O)O,OP(=O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O[Na])CP(=O)(O)O,"InChI=1/C10H28N2O12P4.Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q;+1/p-1/rC10H27N2NaO12P4/c13-25-29(23,24)10-12(9-28(20,21)22)6-4-2-1-3-5-11(7-26(14,15)16)8-27(17,18)19/h1-10H2,(H,23,24)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)",C10H28N2O12P4.xNa,,,,,,OTMVRSKBJZXYMF-UHFFFAOYSA-M,,,,,,,,,,,
100.054.858,260-363-8,56744-60-6,"(1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyloxy-2,1-ethanediyl) bismethacrylate","propane-2,2-diylbis(4,1-phenyleneoxyethane-2,1-diyloxyethane-2,1-diyl) bis(2-methylacrylate)",CC(=C)C(=O)OCCOCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOCCOC(=O)C(=C)C)cc2,CC(=C)C(=O)OCCOCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOCCOC(=O)C(=C)C)cc2,"InChI=1/C31H40O8/c1-23(2)29(32)38-21-17-34-15-19-36-27-11-7-25(8-12-27)31(5,6)26-9-13-28(14-10-26)37-20-16-35-18-22-39-30(33)24(3)4/h7-14H,1,3,15-22H2,2,4-6H3",C31H40O8,,,,,,NREFJJBCYMZUEK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.861,260-366-4,56759-60-5,"2,4,6-tribromo-3,5-dimethylphenol","2,4,6-tribromo-3,5-dimethylphenol",Cc1c(Br)c(C)c(Br)c(O)c1Br,Cc1c(Br)c(C)c(Br)c(O)c1Br,"InChI=1/C8H7Br3O/c1-3-5(9)4(2)7(11)8(12)6(3)10/h12H,1-2H3",C8H7Br3O,,,,,,OXUOISZCFYHEAT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.864,260-370-6,56765-79-8,"3,4-dicyanoaniline",4-aminophthalonitrile,Nc1ccc(C#N)c(c1)C#N,Nc1ccc(C#N)c(c1)C#N,"InChI=1/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2",C8H5N3,,,,,,RRCAJFYQXKPXOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.867,260-373-2,56767-76-1,"Sodium 2-fluoro-a-methyl[1,1'-biphenyl]-4-acetate",sodium 2-(2-fluorobiphenyl-4-yl)propanoate,[Na+].CC(C(=O)[O-])c1ccc(c(F)c1)c2ccccc2,[Na+].CC(C(=O)[O-])c1ccc(c(F)c1)c2ccccc2,"InChI=1/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1",C15H13FO2.Na,,,,,,AUAGTGKMTMVIKN-UHFFFAOYSA-M,,,,,,,,,,,
100.054.868,260-374-8,56770-95-7,"3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt",-,[Ca+2].CN1C(=O)N(C)c2[nH]cnc2C1=O,[Ca+2].CN1C(=O)N(C)c2[nH]cnc2C1=O,"InChI=1/C7H8N4O2.Ca/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);/q;+2",C7H8N4O2.xCa,,,,,,DOXFWPNDMWOQDM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.502,251-168-9,32707-89-4,"3,5-bis(trifluoromethyl)benzyl alcohol","[3,5-bis(trifluoromethyl)phenyl]methanol",OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F,OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C9H6F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3,16H,4H2",C9H6F6O,,,,,,BJTWPJOGDWRYDD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.504,251-171-5,32718-18-6,"Bromochloro-5,5-dimethylimidazolidine-2,4-dione","1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione",CC1(C)N(Br)C(=O)N(Cl)C1=O,CC1(C)N(Br)C(=O)N(Cl)C1=O,InChI=1/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3,C5H6BrClN2O2,,,,,,PIEXCQIOSMOEOU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.513,251-180-4,32730-85-1,Cycloheptanecarbonitrile,cycloheptanecarbonitrile,N#CC1CCCCCC1,N#CC1CCCCCC1,"InChI=1/C8H13N/c9-7-8-5-3-1-2-4-6-8/h8H,1-6H2",C8H13N,,,,,,UIZRDFICGGONJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.519,251-187-2,32741-83-6,Bis[2-(azidoformyloxy)ethyl] isophthalate,bis{2-[(azidocarbonyl)oxy]ethyl} isophthalate,[N-]=[N+]=NC(=O)OCCOC(=O)c1cccc(c1)C(=O)OCCOC(=O)N=[N+]=[N-],[N-]=[N+]=NC(=O)OCCOC(=O)c1cccc(c1)C(=O)OCCOC(=O)N=[N+]=[N-],"InChI=1/C14H12N6O8/c15-19-17-13(23)27-6-4-25-11(21)9-2-1-3-10(8-9)12(22)26-5-7-28-14(24)18-20-16/h1-3,8H,4-7H2",C14H12N6O8,,,,,,IXCZLTALPWNWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.583,252-357-9,35089-90-8,Ammonium trihydrogen disulphate,ammonium trihydrogen disulfate,[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S/c;2*1-5(2,3)4/h1H3;2*(H2,1,2,3,4)/p-3",H3N.2H2O4S,,,,,,SCAIJDFUIDBVKD-UHFFFAOYSA-K,,,,,,,,,,,
100.047.585,252-360-5,35092-89-8,Methyl hydrogen 2-nitroterephthalate,4-(methoxycarbonyl)-3-nitrobenzoic acid,COC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)O,COC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)O,"InChI=1/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)",C9H7NO6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5758,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.585,MIIADZYPHVTLPR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.586,252-361-0,35098-84-1,"1-(hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate]","3-hydroxypropane-1,2-diyl bisoctadeca-9,12,15-trienoate",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\\C=C/C\\C=C/C\\C=C/CC,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",C39H64O5,,,,,,RAPBJBKXYYMYAY-YTWBPVBXSA-N,,,,,,,,,,,
100.047.593,252-368-9,35108-12-4,Tris(1-methylethoxy)propylsilane,triisopropoxy(propyl)silane,CCC[Si](OC(C)C)(OC(C)C)OC(C)C,CCC[Si](OC(C)C)(OC(C)C)OC(C)C,"InChI=1/C12H28O3Si/c1-8-9-16(13-10(2)3,14-11(4)5)15-12(6)7/h10-12H,8-9H2,1-7H3",C12H28O3Si,,,,,,MQVCTPXBBSKLFS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.102,251-829-1,34104-48-8,"5-(4-carboxy-1,4-dioxobutoxy)tryptophan, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)","5-[(4-carboxy-4-oxobutanoyl)oxy]tryptophan - 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (1:1)",Cc1ncc(CO)c(CO)c1O.NC(Cc2c[nH]c3ccc(OC(=O)CCC(=O)C(=O)O)cc23)C(=O)O,Cc1ncc(CO)c(CO)c1O.NC(Cc2c[nH]c3ccc(OC(=O)CCC(=O)C(=O)O)cc23)C(=O)O,"InChI=1/C16H16N2O7.C8H11NO3/c17-11(15(21)22)5-8-7-18-12-2-1-9(6-10(8)12)25-14(20)4-3-13(19)16(23)24;1-5-8(12)7(4-11)6(3-10)2-9-5/h1-2,6-7,11,18H,3-5,17H2,(H,21,22)(H,23,24);2,10-12H,3-4H2,1H3",C16H16N2O7.C8H11NO3,,,,,,ZIZSZIIDNGAOEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.105,251-832-8,34121-17-0,2-amino-4-chloro-5-sulphamoylbenzamide,2-amino-4-chloro-5-sulfamoylbenzamide,NC(=O)c1cc(c(Cl)cc1N)S(=O)(=O)N,NC(=O)c1cc(c(Cl)cc1N)S(=O)(=O)N,"InChI=1/C7H8ClN3O3S/c8-4-2-5(9)3(7(10)12)1-6(4)15(11,13)14/h1-2H,9H2,(H2,10,12)(H2,11,13,14)",C7H8ClN3O3S,,,,,,YZVLDYQGTHLMDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.106,251-833-3,34122-40-2,"1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene 2,3-dioxide","1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene 2,3-dioxide",CC1(C)C2CCC(C)(CC2)[N+](=[N+]1[O-])[O-],CC1(C)C2CCC(C)(CC2)[N+](=[N+]1[O-])[O-],"InChI=1/C10H18N2O2/c1-9(2)8-4-6-10(3,7-5-8)12(14)11(9)13/h8H,4-7H2,1-3H3",C10H18N2O2,,,,,,JTSXFTWPBWFCPA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.109,251-837-5,34124-14-6,"2,2'-ethylenedianiline","2,2'-ethane-1,2-diyldianiline",Nc1ccccc1CCc2ccccc2N,Nc1ccccc1CCc2ccccc2N,"InChI=1/C14H16N2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15-16H2",C14H16N2,,,,,,ZYHQGITXIJDDKC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.110,251-838-0,34128-01-3,Trisodium (carboxylatomethoxy)succinate,trisodium 2-(carboxylatomethoxy)succinate,[Na+].[Na+].[Na+].[O-]C(=O)COC(CC(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].[O-]C(=O)COC(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3Na/c7-4(8)1-3(6(11)12)13-2-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",C6H8O7.3Na,,,,,,MPSJHIAGGNGGEZ-UHFFFAOYSA-K,,,,,,,,,,,
100.047.114,251-842-2,34135-79-0,(1-carboxylatononyl)trimethylammonium,2-(trimethylammonio)decanoate,CCCCCCCCC(C(=O)[O-])[N+](C)(C)C,CCCCCCCCC(C(=O)[O-])[N+](C)(C)C,"InChI=1/C13H27NO2/c1-5-6-7-8-9-10-11-12(13(15)16)14(2,3)4/h12H,5-11H2,1-4H3",C13H27NO2,,,,,,AATOGXGPMOMOQY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.115,251-843-8,34135-85-8,Allyl methyl trisulphide,1-allyl-3-methyltrisulfane,CSSSCC=C,CSSSCC=C,"InChI=1/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3",C4H8S3,,,,,,JGMPRNFEEAJLAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.119,251-848-5,34142-26-2,"p-[4-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(3-methyl-4-{[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C4=O,OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C4=O,"InChI=1/C21H18N4O8S2/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33/h3-11,18H,1-2H3,(H,28,29,30)(H,31,32,33)",C21H18N4O8S2,,,,,,PTOFMVRVTDBZKK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.120,251-849-0,34143-51-6,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium chloride,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenzo[cd]indolium chloride,[Cl-].CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34,[Cl-].CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34,"InChI=1/C23H24BrN2.ClH/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;/h7-15H,4-6H2,1-3H3;1H/q+1;/p-1",C23H24BrN2.Cl,,,,,,YSXWPYRZUULDLM-UHFFFAOYSA-M,,,,,,,,,,,
100.047.253,251-995-5,34396-03-7,"Trimethoxy(2,4,4-trimethylpentyl)silane","trimethoxy(2,4,4-trimethylpentyl)silane",CO[Si](CC(C)CC(C)(C)C)(OC)OC,CO[Si](CC(C)CC(C)(C)C)(OC)OC,"InChI=1/C11H26O3Si/c1-10(8-11(2,3)4)9-15(12-5,13-6)14-7/h10H,8-9H2,1-7H3",C11H26O3Si,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11379,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.253,UWSYCPWEBZRZNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.257,251-999-7,34404-36-9,"Benzyl (S)-[5-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]carbamate","2,5-dioxopyrrolidin-1-yl N~6~-[(benzyloxy)carbonyl]-N~2~-(tert-butoxycarbonyl)-L-lysinate",CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON2C(=O)CCC2=O,"InChI=1/C23H31N3O8/c1-23(2,3)33-22(31)25-17(20(29)34-26-18(27)12-13-19(26)28)11-7-8-14-24-21(30)32-15-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15H2,1-3H3,(H,24,30)(H,25,31)",C23H31N3O8,,,,,,YWLICOCXPNQJPC-KRWDZBQOSA-N,,,,,,,,,,,
100.047.259,252-001-2,34408-25-8,"Methyl 2,5-dichloro-3-nitrobenzoate","methyl 2,5-dichloro-3-nitrobenzoate",COC(=O)c1cc(Cl)cc(c1Cl)[N+](=O)[O-],COC(=O)c1cc(Cl)cc(c1Cl)[N+](=O)[O-],"InChI=1/C8H5Cl2NO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3",C8H5Cl2NO4,,,,,,BHIJMLGSGLWEIR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.260,252-002-8,34413-35-9,"5,6,7,8-tetrahydroquinoxaline","5,6,7,8-tetrahydroquinoxaline",C1CCc2nccnc2C1,C1CCc2nccnc2C1,"InChI=1/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2",C8H10N2,,,,,,XCZPDOCRSYZOBI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.349,267-504-2,67874-76-4,p-tolyl undec-10-enoate,4-methylphenyl undec-10-enoate,Cc1ccc(OC(=O)CCCCCCCCC=C)cc1,Cc1ccc(OC(=O)CCCCCCCCC=C)cc1,"InChI=1/C18H26O2/c1-3-4-5-6-7-8-9-10-11-18(19)20-17-14-12-16(2)13-15-17/h3,12-15H,1,4-11H2,2H3",C18H26O2,,,,,,JBSXTRRQRUQNQG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.420,259-881-7,55892-56-3,"Sulfuric acid, aluminum salt, basic",-,[Al+3].[O-]S(=O)(=O)[O-],[Al+3].[O-]S(=O)(=O)[O-],"InChI=1/Al.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+3;/p-2",-,,,,,,PQCGLNQNFNNWQI-UHFFFAOYSA-L,,,,,,,,,,,
100.033.303,236-648-8,13455-12-4,Platinum dibromide,platinum(2+) dibromide,[Br-].[Br-].[Pt+2],[Br-].[Br-].[Pt+2],InChI=1/2BrH.Pt/h2*1H;/q;;+2/p-2,Br2Pt,,,,,,KGRJUMGAEQQVFK-UHFFFAOYSA-L,,,,,,,,,,,
100.033.305,236-650-9,13455-24-8,Potassium hydrogen diiodate,potassium hydrogen diiodate,[K+].[O-]I(=O)=O.[O-]I(=O)=O,[K+].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/2HIO3.K/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+1/p-2",HIO3.1/2K,,,,,,ACAYDTMSDROWHW-UHFFFAOYSA-L,,,,,,,,,,,
100.033.307,236-653-5,13455-31-7,Cobalt diperchlorate,cobalt(2+) diperchlorate,[Co+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Co+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Co/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Co,,,,,,BSUSEPIPTZNHMN-UHFFFAOYSA-L,,,,,,,,,,,
100.033.308,236-654-0,13455-33-9,Dicobalt orthosilicate,dicobalt(2+) orthosilicate,[Co+2].[Co+2].[O-][Si]([O-])([O-])[O-],[Co+2].[Co+2].[O-][Si]([O-])([O-])[O-],"InChI=1/2Co.O4Si/c;;1-5(2,3)4/q2*+2;-4",Co.1/2H4O4Si,,,,,,KOCQBQYDGSULFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.315,236-661-9,13461-01-3,Aceprometazine,1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone,CC(CN1c2ccccc2Sc3ccc(cc13)C(=O)C)N(C)C,CC(CN1c2ccccc2Sc3ccc(cc13)C(=O)C)N(C)C,"InChI=1/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3",C19H22N2OS,,,,,,XLOQNFNTQIRSOX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.318,236-665-0,13462-88-9,Nickel dibromide,nickel(2+) dibromide,[Ni+2].[Br-].[Br-],[Ni+2].[Br-].[Br-],InChI=1/2BrH.Ni/h2*1H;/q;;+2/p-2,Br2Ni,,,,,,IPLJNQFXJUCRNH-UHFFFAOYSA-L,,,,,,,,,,,
100.033.319,236-666-6,13462-90-3,Nickel diiodide,nickel(2+) diiodide,[Ni+2].[I-].[I-],[Ni+2].[I-].[I-],InChI=1/2HI.Ni/h2*1H;/q;;+2/p-2,I2Ni,,,,,,BFSQJYRFLQUZKX-UHFFFAOYSA-L,,,,,,,,,,,
100.033.324,236-671-3,13463-41-7,Pyrithione zinc,zinc bis(2-thioxopyridin-1(2H)-olate),[Zn+2].S=C1/C=C\\C=C/N1[O-].S=C1/C=C\\C=C/N1[O-],[Zn+2].S=C1/C=C\C=C/N1[O-].S=C1/C=C\C=C/N1[O-],InChI=1/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2,C10H8N2O2S2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14333,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.324,PICXIOQBANWBIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.033.338,236-687-0,13464-77-2,Gold trinitrate,gold trinitrate,[Au+].[Au+].[Au+].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Au+].[Au+].[Au+].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3Au.3NO3/c;;;3*2-1(3)4/q3*+1;3*-1,Au.3HNO3,,,,,,OHZYOVZKIANKKM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.340,236-689-1,13464-82-9,Diindium tris(sulphate),diindium tris(sulphate),[In+3].[In+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[In+3].[In+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2In.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",H2O4S.2/3In,,,,,,XGCKLPDYTQRDTR-UHFFFAOYSA-H,,,,,,,,,,,
100.036.704,240-391-7,16303-23-4,"2,4,6-tris(morpholino)-1,3,5-triazine","2,4,6-trimorpholin-4-yl-1,3,5-triazine",C1CN(CCO1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4,C1CN(CCO1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4,InChI=1/C15H24N6O3/c1-7-22-8-2-19(1)13-16-14(20-3-9-23-10-4-20)18-15(17-13)21-5-11-24-12-6-21/h1-12H2,C15H24N6O3,,,,,,GHKBOCAECRMABJ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.705,240-392-2,16305-75-2,N-L-alanyl-L-tryptophan,alanyl-L-tryptophan,C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)",C14H17N3O3,,,,,,WUGMRIBZSVSJNP-UFBFGSQYSA-N,,,,,,,,,,,
100.036.709,240-396-4,16319-93-0,"3-ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate","3-ethoxy-20-oxopregna-3,5-dien-17-yl acetate",CCOC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(=O)C)C(=O)C)[C@@]2(C)CC1,CCOC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(=O)C)C(=O)C)[C@@]2(C)CC1,"InChI=1/C25H36O4/c1-6-28-19-9-12-23(4)18(15-19)7-8-20-21(23)10-13-24(5)22(20)11-14-25(24,16(2)26)29-17(3)27/h7,15,20-22H,6,8-14H2,1-5H3",C25H36O4,,,,,,GLUPBNAYNWZRSJ-RFXJPFPRSA-N,,,,,,,,,,,
100.036.711,240-399-0,16323-43-6,"3,3'-(p-phenylene)diacrylic acid","3,3'-(1,4-phenylene)bisacrylic acid",OC(=O)\\C=C\\c1ccc(\\C=C\\C(=O)O)cc1,OC(=O)\C=C\c1ccc(\C=C\C(=O)O)cc1,"InChI=1/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)",C12H10O4,,,,,,AAFXQFIGKBLKMC-KQQUZDAGSA-N,,,,,,,,,,,
100.036.712,240-400-4,16324-27-9,"Tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-(m-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].OCCNc1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCCO)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].OCCNc1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCCO)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C36H36N12O14S4.4Na/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;;;;/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4",C36H36N12O14S4.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12443,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.712,HECFMGCMMKUMIN-YZNHWISSSA-J,,,,,,,,,,,
100.047.293,252-038-4,34452-51-2,Potassium mercaptoacetate,potassium sulfanylacetate,[K+].[O-]C(=O)CS,[K+].[O-]C(=O)CS,"InChI=1/C2H4O2S.K/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+1/p-1",C2H4O2S.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13817,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.293,HYTYHTSMCRDHIM-UHFFFAOYSA-M,,,,,,,,,,,
100.047.295,252-041-0,34453-37-7,"3-methoxy-2-phenyl-1H-naphtho[2,1,8-mna]xanthen-1-one","3-methoxy-2-phenyl-1H-naphtho[2,1,8-mna]xanthen-1-one",COC1=C(C(=O)c2ccc3c4ccccc4Oc5ccc1c2c35)c6ccccc6,COC1=C(C(=O)c2ccc3c4ccccc4Oc5ccc1c2c35)c6ccccc6,"InChI=1/C26H16O3/c1-28-26-19-13-14-21-24-17(16-9-5-6-10-20(16)29-21)11-12-18(23(19)24)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3",C26H16O3,,,,,,PFGQZNOSVXTBFR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.296,252-042-6,34454-77-8,3-methyl-3-[(3-methyl-2-butenyl)oxy]but-1-ene,"1,1-dimethylprop-2-en-1-yl 3-methylbut-2-en-1-yl ether",CC(=CCOC(C)(C)C=C)C,CC(=CCOC(C)(C)C=C)C,"InChI=1/C10H18O/c1-6-10(4,5)11-8-7-9(2)3/h6-7H,1,8H2,2-5H3",C10H18O,,,,,,OSDSMAURJWMWHY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.299,252-045-2,34455-03-3,N-ethyltridecafluoro-N-(2-hydroxyethyl)hexanesulphonamide,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)hexane-1-sulfonamide",CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H10F13NO3S/c1-2-24(3-4-25)28(26,27)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h25H,2-4H2,1H3",C10H10F13NO3S,,,,,,SSGYCIQAXNQIBC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.514,262-185-6,60330-12-3,Ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate,ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate,CCOC(=O)n1nc(N)c2cc(ccc12)C(F)(F)F,CCOC(=O)n1nc(N)c2cc(ccc12)C(F)(F)F,"InChI=1/C11H10F3N3O2/c1-2-19-10(18)17-8-4-3-6(11(12,13)14)5-7(8)9(15)16-17/h3-5H,2H2,1H3,(H2,15,16)",C11H10F3N3O2,,,,,,UGXOEWBGAICBHP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.519,262-190-3,60347-66-2,Ammonium silver dinitrate,ammonium silver dinitrate,[NH4+].[Ag+].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[Ag+].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ag.2NO3.H3N/c;2*2-1(3)4;/h;;;1H3/q+1;2*-1;/p+1,Ag.H3N.2HNO3,,,,,,JNKQKOKSOYJQIZ-UHFFFAOYSA-O,,,,,,,,,,,
100.056.528,262-200-6,60372-80-7,N2-(1-oxotetradecyl)-L-arginine,N~2~-tetradecanoyl-L-arginine,CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C20H40N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27)14-13-16-23-20(21)22/h17H,2-16H2,1H3,(H,24,25)(H,26,27)(H4,21,22,23)",C20H40N4O3,,,,,,ANKFOZDLPDQNEO-KRWDZBQOSA-N,,,,,,,,,,,
100.056.530,262-202-7,60373-71-9,"1-[1-benzyl-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-2H-benzimidazol-2-one","1-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one",O=C1Nc2ccccc2N1C3=CCN(Cc4ccccc4)CC3,O=C1Nc2ccccc2N1C3=CCN(Cc4ccccc4)CC3,"InChI=1/C19H19N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-10H,11-14H2,(H,20,23)",C19H19N3O,,,,,,FKCKAEJWXGMCFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.533,262-205-3,60376-76-3,Methyl 3-[[[(dimethylamino)methylene]amino]sulphonyl]-4-phenoxy-5-(1-pyrrolidinyl)benzoate,methyl 3-{[(dimethylamino)methylene]sulfamoyl}-4-phenoxy-5-pyrrolidin-1-ylbenzoate,CN(C)C=NS(=O)(=O)c2cc(cc(c2Oc1ccccc1)N3CCCC3)C(=O)OC,CN(C)C=NS(=O)(=O)c2cc(cc(c2Oc1ccccc1)N3CCCC3)C(=O)OC,"InChI=1/C21H25N3O5S/c1-23(2)15-22-30(26,27)19-14-16(21(25)28-3)13-18(24-11-7-8-12-24)20(19)29-17-9-5-4-6-10-17/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3",C21H25N3O5S,,,,,,HBDOTWMVKQPCIB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.534,262-206-9,60381-07-9,Dodecyl bis[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl] phosphite,dodecyl bis{4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl} phosphite,CCCCCCCCCCCCOP(Oc1ccc(cc1)C(C)(C)c2ccc(O)cc2)Oc3ccc(cc3)C(C)(C)c4ccc(O)cc4,CCCCCCCCCCCCOP(Oc1ccc(cc1)C(C)(C)c2ccc(O)cc2)Oc3ccc(cc3)C(C)(C)c4ccc(O)cc4,"InChI=1/C42H55O5P/c1-6-7-8-9-10-11-12-13-14-15-32-45-48(46-39-28-20-35(21-29-39)41(2,3)33-16-24-37(43)25-17-33)47-40-30-22-36(23-31-40)42(4,5)34-18-26-38(44)27-19-34/h16-31,43-44H,6-15,32H2,1-5H3",C42H55O5P,,,,,,LUIHRDSKVKNQKL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.542,262-215-8,60391-93-7,"(4E,8E)-dodeca-4,8-dienedial","dodeca-4,8-dienedial",O=CCC\\C=C\\CC\\C=C\\CCC=O,O=CCC\C=C\CC\C=C\CCC=O,"InChI=1/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h3-6,11-12H,1-2,7-10H2",C12H18O2,,,,,,CIGZZLYQLQLUQO-GGWOSOGESA-N,,,,,,,,,,,
100.056.547,262-221-0,60405-50-7,5-phenylhex-3-en-2-one,5-phenylhex-3-en-2-one,CC(=O)C=CC(C)c1ccccc1,CC(=O)C=CC(C)c1ccccc1,"InChI=1/C12H14O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-10H,1-2H3",C12H14O,,,,,,ALFALFNFEGCXJO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.550,262-224-7,60413-01-6,Sodium p-(dimethylamino)benzenediazonium sulphite,4-(dimethylamino)benzenediazonium sodium sulfite,[Na+].CN(C)c1ccc(cc1)[N+]#N.[O-]S(=O)[O-],[Na+].CN(C)c1ccc(cc1)[N+]#N.[O-]S(=O)[O-],"InChI=1/C8H10N3.Na.H2O3S/c1-11(2)8-5-3-7(10-9)4-6-8;;1-4(2)3/h3-6H,1-2H3;;(H2,1,2,3)/q2*+1;/p-2",C8H10N3.HO3S.Na,,,,,,NAYNURVZEDVTDN-UHFFFAOYSA-L,,,,,,,,,,,
100.058.461,264-326-7,63573-83-1,1-cyclohexyl-2-methylpropyl butyrate,1-cyclohexyl-2-methylpropyl butyrate,CCCC(=O)OC(C(C)C)C1CCCCC1,CCCC(=O)OC(C(C)C)C1CCCCC1,"InChI=1/C14H26O2/c1-4-8-13(15)16-14(11(2)3)12-9-6-5-7-10-12/h11-12,14H,4-10H2,1-3H3",C14H26O2,,,,,,ZENUMDIFMRNKGX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.594,252-369-4,35108-88-4,tert-butyl[2-hydroxy-3-[2-[(tetrahydro-2-furyl)methoxy]phenoxy]propyl]ammonium chloride,N-tert-butyl-2-hydroxy-3-[2-(tetrahydrofuran-2-ylmethoxy)phenoxy]propan-1-aminium chloride,[Cl-].CC(C)(C)[NH2+]CC(O)COc1ccccc1OCC2CCCO2,[Cl-].CC(C)(C)[NH2+]CC(O)COc1ccccc1OCC2CCCO2,"InChI=1/C18H29NO4.ClH/c1-18(2,3)19-11-14(20)12-22-16-8-4-5-9-17(16)23-13-15-7-6-10-21-15;/h4-5,8-9,14-15,19-20H,6-7,10-13H2,1-3H3;1H",C18H29NO4.ClH,,,,,,DTAWWMIEZBHDDH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.603,252-379-9,35114-09-1,2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium chloride,2-{4-[(4-ethoxybenzyl)amino]phenyl}-1-ethylbenzo[cd]indolium chloride,[Cl-].CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1,[Cl-].CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1,"InChI=1/C28H26N2O.ClH/c1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;/h5-18H,3-4,19H2,1-2H3;1H",C28H27N2O.Cl,,,,,,OOELBMRYMYQYGO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.612,252-389-3,35133-39-2,1-[4-(phenylmethoxy)phenyl]-2-[4-(phenylmethyl)piperidino]propan-1-one,1-[4-(benzyloxy)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-one,CC(N1CCC(Cc2ccccc2)CC1)C(=O)c3ccc(OCc4ccccc4)cc3,CC(N1CCC(Cc2ccccc2)CC1)C(=O)c3ccc(OCc4ccccc4)cc3,"InChI=1/C28H31NO2/c1-22(29-18-16-24(17-19-29)20-23-8-4-2-5-9-23)28(30)26-12-14-27(15-13-26)31-21-25-10-6-3-7-11-25/h2-15,22,24H,16-21H2,1H3",C28H31NO2,,,,,,JKJGWNLFPHYECD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.615,252-393-5,35141-36-7,Trimethyl-3-(trimethoxysilyl)propylammonium chloride,"N,N,N-trimethyl-3-(trimethoxysilyl)propan-1-aminium chloride",[Cl-].CO[Si](CCC[N+](C)(C)C)(OC)OC,[Cl-].CO[Si](CCC[N+](C)(C)C)(OC)OC,"InChI=1/C9H24NO3Si.ClH/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;/h7-9H2,1-6H3;1H/q+1;/p-1",C9H24NO3Si.Cl,,,,,,FYZFRYWTMMVDLR-UHFFFAOYSA-M,,,,,,,,,,,
100.047.621,252-399-8,35153-09-4,(E)-dodec-10-enyl acetate,dodec-10-en-1-yl acetate,C\\C=C\\CCCCCCCCCOC(=O)C,C\C=C\CCCCCCCCCOC(=O)C,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-4H,5-13H2,1-2H3",C14H26O2,,,,,,JARZGLPTLYDJAG-ONEGZZNKSA-N,,,,,,,,,,,
100.052.500,257-768-7,52236-73-4,"Lithium 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonate","lithium 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonate",[Li+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccccc2)c3N,[Li+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccccc2)c3N,"InChI=1/C16H13Cl2N5O3S.Li/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8H,19H2,1H3,(H,24,25,26);/q;+1/p-1",C16H13Cl2N5O3S.Li,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17559,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.500,DYAUAABGDBUCRB-UHFFFAOYSA-M,,,,,,,,,,,
100.060.093,266-123-9,66073-54-9,2-chloro-6-fluorobenzamide,2-chloro-6-fluorobenzamide,NC(=O)c1c(F)cccc1Cl,NC(=O)c1c(F)cccc1Cl,"InChI=1/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)",C7H5ClFNO,,,,,,KLOZZZNFJYMTNE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.107,266-139-6,66096-03-5,"5-[3-[[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]amino]-1,3-dioxopropyl]-2-methoxybenzenesulphonic acid",5-(3-{[2-(hexadecyloxy)-5-(methylsulfamoyl)phenyl]amino}-3-oxopropanoyl)-2-methoxybenzenesulfonic acid,CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)CC(=O)c2ccc(OC)c(c2)S(=O)(=O)O)S(=O)(=O)NC,CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)CC(=O)c2ccc(OC)c(c2)S(=O)(=O)O)S(=O)(=O)NC,"InChI=1/C33H50N2O9S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-44-30-21-19-27(45(38,39)34-2)24-28(30)35-33(37)25-29(36)26-18-20-31(43-3)32(23-26)46(40,41)42/h18-21,23-24,34H,4-17,22,25H2,1-3H3,(H,35,37)(H,40,41,42)",C33H50N2O9S2,,,,,,LBTKPLRRQHGCRH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.111,266-143-8,66104-34-5,"2-(p-methoxyphenyl)-2H-1,2,3-triazolo[4,5-b]pyridin-5-amine","2-(4-methoxyphenyl)-2H-[1,2,3]triazolo[4,5-b]pyridin-5-amine",COc1ccc(cc1)n2nc3ccc(N)nc3n2,COc1ccc(cc1)n2nc3ccc(N)nc3n2,"InChI=1/C12H11N5O/c1-18-9-4-2-8(3-5-9)17-15-10-6-7-11(13)14-12(10)16-17/h2-7H,1H3,(H2,13,14,16)",C12H11N5O,,,,,,AVWBWRNIAZRTHF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.751,262-446-4,60833-41-2,Isonicotinaldehyde O-ethyloxime,isonicotinaldehyde O-ethyloxime,CCO\\N=C\\c1ccncc1,CCO\N=C\c1ccncc1,"InChI=1/C8H10N2O/c1-2-11-10-7-8-3-5-9-6-4-8/h3-7H,2H2,1H3",C8H10N2O,,,,,,XXYCNHJBPIDFMZ-JXMROGBWSA-N,,,,,,,,,,,
100.056.769,262-466-3,60834-86-8,"2,4,6-tricyclopentyl-m-cresol","2,4,6-tricyclopentyl-3-methylphenol",Cc1c(cc(C2CCCC2)c(O)c1C3CCCC3)C4CCCC4,Cc1c(cc(C2CCCC2)c(O)c1C3CCCC3)C4CCCC4,"InChI=1/C22H32O/c1-15-19(16-8-2-3-9-16)14-20(17-10-4-5-11-17)22(23)21(15)18-12-6-7-13-18/h14,16-18,23H,2-13H2,1H3",C22H32O,,,,,,LUNVGTDAAFIKFA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.779,262-477-3,60864-38-2,"6ß-fluoro-17,21-dihydroxypregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)","6-fluoro-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C)OC(=O)C,"InChI=1/C25H29FO6/c1-14(27)31-13-22(30)25(32-15(2)28)10-7-19-17-12-21(26)20-11-16(29)5-8-23(20,3)18(17)6-9-24(19,25)4/h5-6,8,11,17,19,21H,7,9-10,12-13H2,1-4H3",C25H29FO6,,,,,,BVIBAMAMNUFDPN-BIUBWZLJSA-N,,,,,,,,,,,
100.061.351,267-506-3,67874-78-6,Decahydro-2-naphthyl isobutyrate,decahydronaphthalen-2-yl 2-methylpropanoate,CC(C)C(=O)OC1CCC2CCCCC2C1,CC(C)C(=O)OC1CCC2CCCCC2C1,"InChI=1/C14H24O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h10-13H,3-9H2,1-2H3",C14H24O2,,,,,,KWWPABFNYJNITP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.352,267-507-9,67874-79-7,Decahydro-2-naphthyl propionate,decahydronaphthalen-2-yl propionate,CCC(=O)OC1CCC2CCCCC2C1,CCC(=O)OC1CCC2CCCCC2C1,"InChI=1/C13H22O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h10-12H,2-9H2,1H3",C13H22O2,,,,,,OZTDQTXYXZFKJA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.358,267-514-7,67874-86-6,"3,3-bis(4-hydroxyphenyl)phthalide, compound with 2-(diethylamino)ethanol (1:1)","3,3-bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one - 2-(diethylamino)ethanol (1:1)",CCN(CC)CCO.Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,CCN(CC)CCO.Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,"InChI=1/C20H14O4.C6H15NO/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;1-3-7(4-2)5-6-8/h1-12,21-22H;8H,3-6H2,1-2H3",C20H14O4.C6H15NO,,,,,,VAZCKEBLMFALSW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.365,267-522-0,67875-08-5,Disodium 6-amino-5-[[4-(benzoylamino)-3-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-{[4-(benzoylamino)-3-sulfonatophenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c2cc(ccc2NC(=O)c1ccccc1)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c2cc(ccc2NC(=O)c1ccccc1)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,"InChI=1/C23H18N4O8S2.2Na/c24-17-8-6-14-10-16(36(30,31)32)12-19(28)21(14)22(17)27-26-15-7-9-18(20(11-15)37(33,34)35)25-23(29)13-4-2-1-3-5-13;;/h1-12,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H18N4O8S2.2Na,,,,,,MXGAXFHXDGKJBE-UHFFFAOYSA-L,,,,,,,,,,,
100.061.366,267-523-6,67875-09-6,"Tripotassium 2,5-bis[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzamido]benzenesulphonate","tripotassium 2,5-bis[(4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoyl)amino]benzenesulfonate",[K+].[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)N7/N=C(/C)C(N=Nc2ccc(cc2)C(=O)Nc6ccc(NC(=O)c3ccc(cc3)N=NC5C(\\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)c(c6)S([O-])(=O)=O)C7=O,[K+].[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)N7/N=C(/C)C(N=Nc2ccc(cc2)C(=O)Nc6ccc(NC(=O)c3ccc(cc3)N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)c(c6)S([O-])(=O)=O)C7=O,"InChI=1/C40H32N10O13S3.3K/c1-22-35(39(53)49(47-22)29-12-16-31(17-13-29)64(55,56)57)45-43-26-7-3-24(4-8-26)37(51)41-28-11-20-33(34(21-28)66(61,62)63)42-38(52)25-5-9-27(10-6-25)44-46-36-23(2)48-50(40(36)54)30-14-18-32(19-15-30)65(58,59)60;;;/h3-21,35-36H,1-2H3,(H,41,51)(H,42,52)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;/q;3*+1/p-3",C40H32N10O13S3.3K,,,,,,OPLVQYDZWCACHA-UHFFFAOYSA-K,,,,,,,,,,,
100.061.367,267-524-1,67875-10-9,"Disodium 1-amino-4-[4-[(chloroacetyl)amino]-3-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-({4-[(chloroacetyl)amino]-3-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)CCl)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)CCl)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C22H16ClN3O9S2.2Na/c23-9-17(27)26-13-6-5-10(7-15(13)36(30,31)32)25-14-8-16(37(33,34)35)20(24)19-18(14)21(28)11-3-1-2-4-12(11)22(19)29;;/h1-8,25H,9,24H2,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C22H16ClN3O9S2.2Na,,,,,,JNWAORGDZSHRHU-UHFFFAOYSA-L,,,,,,,,,,,
100.061.368,267-525-7,67875-11-0,Sodium 8-anilino-5-[(3-chlorophenyl)azo]naphthalene-1-sulphonate,sodium 8-anilino-5-[(3-chlorophenyl)diazenyl]naphthalene-1-sulfonate,[Na+].Clc4cc(N=Nc3ccc(Nc1ccccc1)c2c3cccc2S([O-])(=O)=O)ccc4,[Na+].Clc4cc(N=Nc3ccc(Nc1ccccc1)c2c3cccc2S([O-])(=O)=O)ccc4,"InChI=1/C22H16ClN3O3S.Na/c23-15-6-4-9-17(14-15)25-26-19-12-13-20(24-16-7-2-1-3-8-16)22-18(19)10-5-11-21(22)30(27,28)29;/h1-14,24H,(H,27,28,29);/q;+1/p-1",C22H16ClN3O3S.Na,,,,,,XMODKPLDAUSFGD-UHFFFAOYSA-M,,,,,,,,,,,
100.061.369,267-526-2,67875-12-1,"Potassium 2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate","potassium 2-{[1-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonate",[K+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=NC2C(\\C)=N/N(c1ccccc1Cl)C2=O,[K+].[O-]S(=O)(=O)c3c4ccccc4ccc3N=NC2C(\C)=N/N(c1ccccc1Cl)C2=O,"InChI=1/C20H15ClN4O4S.K/c1-12-18(20(26)25(24-12)17-9-5-4-8-15(17)21)23-22-16-11-10-13-6-2-3-7-14(13)19(16)30(27,28)29;/h2-11,18H,1H3,(H,27,28,29);/q;+1/p-1",C20H15ClN4O4S.K,,,,,,LUHDBCVHMXGHJV-UHFFFAOYSA-M,,,,,,,,,,,
100.061.373,267-530-4,67875-16-5,"Disodium 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis[benzenesulphonate]",disodium 3-({5-methoxy-4-[({2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]-2-methylphenyl}diazenyl)benzenesulfonate,[Na+].[Na+].COc4cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(C)cc4NC(=O)Nc3cc(C)c(N=Nc2cccc(c2)S([O-])(=O)=O)cc3OC,[Na+].[Na+].COc4cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(C)cc4NC(=O)Nc3cc(C)c(N=Nc2cccc(c2)S([O-])(=O)=O)cc3OC,"InChI=1/C29H28N6O9S2.2Na/c1-17-11-25(27(43-3)15-23(17)34-32-19-7-5-9-21(13-19)45(37,38)39)30-29(36)31-26-12-18(2)24(16-28(26)44-4)35-33-20-8-6-10-22(14-20)46(40,41)42;;/h5-16H,1-4H3,(H2,30,31,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C29H28N6O9S2.2Na,,,,,,ZIHNAPIDRXJQKX-UHFFFAOYSA-L,,,,,,,,,,,
100.056.504,262-174-6,60329-20-6,"1,5-dimethylbicyclo[3.2.1]octan-8-ol","1,5-dimethylbicyclo[3.2.1]octan-8-ol",CC12CCCC(C)(CC1)C2O,CC12CCCC(C)(CC1)C2O,"InChI=1/C10H18O/c1-9-4-3-5-10(2,7-6-9)8(9)11/h8,11H,3-7H2,1-2H3",C10H18O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16711,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.504,VLRZZNSBIMFXGK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.721,240-410-9,16345-80-5,Benzylmethyldioctylammonium chloride,N-benzyl-N-methyl-N-octyloctan-1-aminium chloride,[Cl-].CCCCCCCC[N+](C)(CCCCCCCC)Cc1ccccc1,[Cl-].CCCCCCCC[N+](C)(CCCCCCCC)Cc1ccccc1,"InChI=1/C24H44N.ClH/c1-4-6-8-10-12-17-21-25(3,22-18-13-11-9-7-5-2)23-24-19-15-14-16-20-24;/h14-16,19-20H,4-13,17-18,21-23H2,1-3H3;1H/q+1;/p-1",C24H44N.Cl,,,,,,RBTBCRUCRQHZLB-UHFFFAOYSA-M,,,,,,,,,,,
100.036.725,240-415-6,16355-92-3,"1,10-diiododecane","1,10-diiododecane",ICCCCCCCCCCI,ICCCCCCCCCCI,InChI=1/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,C10H20I2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12326,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.725,CKJCTZAIDVFHCX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.728,240-418-2,16357-59-8,"Ethyl N-(2-ethoxy-1,2-dihydroquinoline)carboxylate",ethyl 2-ethoxyquinoline-1(2H)-carboxylate,CCOC1C=Cc2ccccc2N1C(=O)OCC,CCOC1C=Cc2ccccc2N1C(=O)OCC,"InChI=1/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3",C14H17NO3,,,,,,GKQLYSROISKDLL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.741,240-432-9,16383-96-3,"13H-thioxantheno[2,1,9-def][1,2,4]triazolo[1,5-b]isoquinolin-13-one","13H-benzo[3,4]isothiochromeno[7,8,1-def][1,2,4]triazolo[5,1-a]isoquinolin-13-one",O=C1c2ccc3c4ccccc4Sc5ccc(c6ncnn16)c2c35,O=C1c2ccc3c4ccccc4Sc5ccc(c6ncnn16)c2c35,InChI=1/C19H9N3OS/c23-19-13-6-5-11-10-3-1-2-4-14(10)24-15-8-7-12(16(13)17(11)15)18-20-9-21-22(18)19/h1-9H,C19H9N3OS,,,,,,JCVXCFHVNJJCCM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.327,239-975-4,15852-73-0,3-bromobenzyl alcohol,(3-bromophenyl)methanol,OCc1cccc(Br)c1,OCc1cccc(Br)c1,"InChI=1/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2",C7H7BrO,,,,,,FSWNRRSWFBXQCL-UHFFFAOYSA-N,,,,,,,,,,,
100.036.337,239-986-4,15861-24-2,Indole-5-carbonitrile,1H-indole-5-carbonitrile,N#Cc1ccc2[nH]ccc2c1,N#Cc1ccc2[nH]ccc2c1,"InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H",C9H6N2,,,,,,YHYLDEVWYOFIJK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.348,239-999-5,15873-56-0,"2-chloroethane-1,1-diol","2-chloroethane-1,1-diol",OC(O)CCl,OC(O)CCl,"InChI=1/C2H5ClO2/c3-1-2(4)5/h2,4-5H,1H2",C2H5ClO2,,,,,,QXCPBNVAQSUDRV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.349,240-001-5,15874-48-3,"Antimony tris[O,O-dipropyl] tris(dithiophosphate)","7-[(dipropoxyphosphorothioyl)sulfanyl]-5,9-dipropoxy-4,10-dioxa-6,8-dithia-5lambda~5~,9-diphospha-7-stibatridecane 5,9-disulfide",CCCOP(=S)(OCCC)S[Sb](SP(=S)(OCCC)OCCC)SP(=S)(OCCC)OCCC,CCCOP(=S)(OCCC)S[Sb](SP(=S)(OCCC)OCCC)SP(=S)(OCCC)OCCC,"InChI=1/3C6H15O2PS2.Sb/c3*1-3-5-7-9(10,11)8-6-4-2;/h3*3-6H2,1-2H3,(H,10,11);/q;;;+3/p-3/rC18H42O6P3S6Sb/c1-7-13-19-25(28,20-14-8-2)31-34(32-26(29,21-15-9-3)22-16-10-4)33-27(30,23-17-11-5)24-18-12-6/h7-18H2,1-6H3",C6H15O2PS2.1/3Sb,,,,,,LJFZXKPXORQNRR-UHFFFAOYSA-K,,,,,,,,,,,
100.036.362,240-015-1,15879-01-3,"Titanium 2,2',2''-nitrilotrisethanolate","titanium 2,2',2''-nitrilotrisethanolate",[Ti+2].[Ti+2].[Ti+2].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-],[Ti+2].[Ti+2].[Ti+2].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-],InChI=1/2C6H12NO3.3Ti/c2*8-4-1-7(2-5-9)3-6-10;;;/h2*1-6H2;;;/q2*-3;3*+2,C6H15NO3.xTi,,,,,,XLVIIODLKRSMAH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.364,240-017-2,15880-66-7,"1,1,3,3-tetrabutyl-1,3-bis[(1-oxododecyl)oxy]distannathiane","1,1,3,3-tetrabutyl-1,3-bis(dodecanoyloxy)distannathiane",CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)S[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)S[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.4C4H9.S.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-4-2;;;/h2*2-11H2,1H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC40H82O4SSn2/c1-7-13-19-21-23-25-27-29-31-33-39(41)43-46(35-15-9-3,36-16-10-4)45-47(37-17-11-5,38-18-12-6)44-40(42)34-32-30-28-26-24-22-20-14-8-2/h7-38H2,1-6H3",C40H82O4SSn2,,,,,,ZBBCKXXEEYFMAC-UHFFFAOYSA-L,,,,,,,,,,,
100.054.428,259-890-6,55909-76-7,N-(dimethylphenyl)-3-oxobutyramide,"N-(2,3-dimethylphenyl)-3-oxobutanamide",CC(=O)CC(=O)Nc1cccc(C)c1C,CC(=O)CC(=O)Nc1cccc(C)c1C,"InChI=1/C12H15NO2/c1-8-5-4-6-11(10(8)3)13-12(15)7-9(2)14/h4-6H,7H2,1-3H3,(H,13,15)",C12H15NO2,,,,,,JLBRPUWVDHSZKB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.430,259-892-7,55910-10-6,Potassium N-[(heptadecafluorooctyl)sulphonyl]-N-propylglycinate,potassium {[(heptadecafluorooctyl)sulfonyl](propyl)amino}acetate,[K+].CCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].CCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H10F17NO4S.K/c1-2-3-31(4-5(32)33)36(34,35)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28;/h2-4H2,1H3,(H,32,33);/q;+1/p-1",C13H10F17NO4S.K,,,,,,AIHJEJOJQJDLRE-UHFFFAOYSA-M,,,,,,,,,,,
100.054.432,259-894-8,55910-34-4,2-cyclopentyl-4-nitrophenol,2-cyclopentyl-4-nitrophenol,Oc1ccc(cc1C2CCCC2)[N+](=O)[O-],Oc1ccc(cc1C2CCCC2)[N+](=O)[O-],"InChI=1/C11H13NO3/c13-11-6-5-9(12(14)15)7-10(11)8-3-1-2-4-8/h5-8,13H,1-4H2",C11H13NO3,,,,,,ABDCPGIQMBSVEO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.435,259-897-4,55912-17-9,"2-[(1,1-dimethylethyl)azo]-4-methoxy-2,4-dimethylvaleronitrile","2-(tert-butyldiazenyl)-4-methoxy-2,4-dimethylpentanenitrile",CC(C)(C)N=NC(C)(CC(C)(C)OC)C#N,CC(C)(C)N=NC(C)(CC(C)(C)OC)C#N,"InChI=1/C12H23N3O/c1-10(2,3)14-15-12(6,9-13)8-11(4,5)16-7/h8H2,1-7H3",C12H23N3O,,,,,,XYDCNXPXPVLOPD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.481,264-348-7,63589-26-4,"4-amino-9,10-dihydro-N-(3-methoxypropyl)-1-nitro-9,10-dioxoanthracene-2-carboxamide","4-amino-N-(3-methoxypropyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide",COCCCNC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],COCCCNC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],"InChI=1/C19H17N3O6/c1-28-8-4-7-21-19(25)12-9-13(20)14-15(16(12)22(26)27)18(24)11-6-3-2-5-10(11)17(14)23/h2-3,5-6,9H,4,7-8,20H2,1H3,(H,21,25)",C19H17N3O6,,,,,,LXOWAMNDRCJQED-UHFFFAOYSA-N,,,,,,,,,,,
100.058.483,264-350-8,63589-28-6,2-[(4-chlorophenyl)azo]-1H-imidazole,2-[(4-chlorophenyl)diazenyl]-1H-imidazole,Clc1ccc(cc1)N=Nc2nccn2,Clc1ccc(cc1)N=Nc2nccn2,"InChI=1/C9H7ClN4/c10-7-1-3-8(4-2-7)13-14-9-11-5-6-12-9/h1-6H,(H,11,12)",C9H7ClN4,,,,,,MLYDUQPPEMTRAU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.484,264-351-3,63589-29-7,"N,N-diethyl-4-(1H-indazol-3-ylazo)aniline","N,N-diethyl-4-(2H-indazol-3-yldiazenyl)aniline",CCN(CC)c1ccc(cc1)N=Nc3nnc2ccccc23,CCN(CC)c1ccc(cc1)N=Nc3nnc2ccccc23,"InChI=1/C17H19N5/c1-3-22(4-2)14-11-9-13(10-12-14)18-20-17-15-7-5-6-8-16(15)19-21-17/h5-12H,3-4H2,1-2H3,(H,19,21)",C17H19N5,,,,,,FKJXEQVPDULPEI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.494,264-362-3,63605-22-1,"Disodium 9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonate","disodium 9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c2c1,[Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c2c1,"InChI=1/C14H8O8S2.2Na/c15-13-9-2-1-3-11(24(20,21)22)12(9)14(16)8-5-4-7(6-10(8)13)23(17,18)19;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H8O8S2.2Na,,,,,,GOMHLMDSLCQXPW-UHFFFAOYSA-L,,,,,,,,,,,
100.058.496,264-364-4,63610-08-2,Indobufen,"2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid",CCC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,CCC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,"InChI=1/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)",C18H17NO3,,,,,,AYDXAULLCROVIT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.125,266-159-5,66104-72-1,"Dilithium disodium 4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonate",-,[Li+].[Li+].[Na+].[Na+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,[Li+].[Li+].[Na+].[Na+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,"InChI=1/C26H20N4O8S2.2Li.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;;;/q;4*+1/p-2",C26H20N4O8S2.2Li.2Na,,,,,,LSNJRGPCWTWQNH-FJACBPOMSA-L,,,,,,,,,,,
100.054.341,259-794-4,55751-54-7,2-sec-butylaniline,2-sec-butylaniline,CCC(C)c1ccccc1N,CCC(C)c1ccccc1N,"InChI=1/C10H15N/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8H,3,11H2,1-2H3",C10H15N,,,,,,XAGPXEVNCJHXCL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.344,259-798-6,55764-18-6,"Octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one","octahydro-3H-1,5-methanocyclopenta[c]oxepin-3-one",O=C1CC2CC(O1)C3CCCC23,O=C1CC2CC(O1)C3CCCC23,"InChI=1/C10H14O2/c11-10-5-6-4-9(12-10)8-3-1-2-7(6)8/h6-9H,1-5H2",C10H14O2,,,,,,MHCQWHPTAZHNSX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.347,259-801-0,55764-25-5,S-(2-methyl-3-furyl) ethanethioate,S-(2-methyl-3-furyl) ethanethioate,CC(=O)Sc1ccoc1C,CC(=O)Sc1ccoc1C,"InChI=1/C7H8O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H,1-2H3",C7H8O2S,,,,,,PQFIBPDAGFGLBY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.356,259-811-5,55772-83-3,"2'-(dibenzylamino)-6'-pyrrolidinylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-(dibenzylamino)-6'-pyrrolidin-1-yl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",O=C1OC2(c3ccc(cc3Oc4ccc(cc24)N(Cc5ccccc5)Cc6ccccc6)N7CCCC7)c8ccccc18,O=C1OC2(c3ccc(cc3Oc4ccc(cc24)N(Cc5ccccc5)Cc6ccccc6)N7CCCC7)c8ccccc18,"InChI=1/C38H32N2O3/c41-37-31-15-7-8-16-32(31)38(43-37)33-19-17-30(39-21-9-10-22-39)24-36(33)42-35-20-18-29(23-34(35)38)40(25-27-11-3-1-4-12-27)26-28-13-5-2-6-14-28/h1-8,11-20,23-24H,9-10,21-22,25-26H2",C38H32N2O3,,,,,,IHAOPBUXNUKKIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.363,259-818-3,55780-25-1,"1,1'-methylenebis(5-oxo-DL-proline)","1,1'-methylenebis(5-oxopyrrolidine-2-carboxylic acid) (non-preferred name)",OC(=O)[C@@H]1CCC(=O)N1CN2[C@@H](CCC2=O)C(=O)O,OC(=O)[C@@H]1CCC(=O)N1CN2[C@@H](CCC2=O)C(=O)O,"InChI=1/C11H14N2O6/c14-8-3-1-6(10(16)17)12(8)5-13-7(11(18)19)2-4-9(13)15/h6-7H,1-5H2,(H,16,17)(H,18,19)",C11H14N2O6,,,,,,XAYYGTJLXVXLMB-BQBZGAKWSA-N,,,,,,,,,,,
100.054.364,259-819-9,55790-53-9,"1-[10,10-dimethyl-2,6-bis(methylene)bicyclo[7.2.0]undec-5-yl]ethan-1-one","1-[10,10-dimethyl-2,6-bis(methylene)bicyclo[7.2.0]undec-5-yl]ethanone",CC(=O)C1CCC(=C)C2CC(C)(C)C2CCC1=C,CC(=O)C1CCC(=C)C2CC(C)(C)C2CCC1=C,"InChI=1/C17H26O/c1-11-7-9-16-15(10-17(16,4)5)12(2)6-8-14(11)13(3)18/h14-16H,1-2,6-10H2,3-5H3",C17H26O,,,,,,CWEDHDMWROAFQO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.368,259-824-6,55804-65-4,"2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid","11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid",OC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,OC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,"InChI=1/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)",C16H15NO4,,,,,,KCDCNGXPPGQERR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.782,262-481-5,60864-41-7,"9,11ß-dichloro-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","9,11-dichloro-6-fluoro-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]12C)OC(=O)C,"InChI=1/C25H29Cl2FO6/c1-13(29)33-12-21(32)24(34-14(2)30)8-6-16-17-10-19(28)18-9-15(31)5-7-22(18,3)25(17,27)20(26)11-23(16,24)4/h5,7,9,16-17,19-20H,6,8,10-12H2,1-4H3",C25H29Cl2FO6,,,,,,MXUPCASLFHNIIF-CYBFZDFUSA-N,,,,,,,,,,,
100.056.784,262-483-6,60864-43-9,"9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione","6-fluoro-17,21-dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@]12C[C@@H]3O[C@]34[C@@H](C[C@@H](F)C5=CC(=O)C=C[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@@H]3O[C@]34[C@@H](C[C@@H](F)C5=CC(=O)C=C[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H25FO5/c1-18-5-3-11(24)7-14(18)15(22)8-13-12-4-6-20(26,16(25)10-23)19(12,2)9-17-21(13,18)27-17/h3,5,7,12-13,15,17,23,26H,4,6,8-10H2,1-2H3",C21H25FO5,,,,,,ODCJBFLIAVNDAG-OHNRKXQJSA-N,,,,,,,,,,,
100.056.787,262-486-2,60864-46-2,"6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(=O)C,"InChI=1/C25H30F2O7/c1-13(28)33-12-21(32)24(34-14(2)29)8-6-16-17-10-19(26)18-9-15(30)5-7-22(18,3)25(17,27)20(31)11-23(16,24)4/h5,7,9,16-17,19-20,31H,6,8,10-12H2,1-4H3",C25H30F2O7,,,,,,RWKMFNKALGKSFN-CYBFZDFUSA-N,,,,,,,,,,,
100.056.789,262-488-3,60864-48-4,"9ß,11a-epoxy-6ß-fluoro-16a,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate","6-fluoro-16,17-dihydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@@H]5C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@@H]5C[C@]12C,"InChI=1/C23H27FO7/c1-11(25)30-10-18(28)22(29)17(27)8-13-14-7-16(24)15-6-12(26)4-5-20(15,2)23(14)19(31-23)9-21(13,22)3/h4-6,13-14,16-17,19,27,29H,7-10H2,1-3H3",C23H27FO7,,,,,,ZXCUGBNTNOOANT-DKVAQGCISA-N,,,,,,,,,,,
100.046.536,251-205-9,32774-29-1,5-bromo-1H-indole-3-ethanol,2-(5-bromo-1H-indol-3-yl)ethanol,OCCc1c[nH]c2ccc(Br)cc12,OCCc1c[nH]c2ccc(Br)cc12,"InChI=1/C10H10BrNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,5-6,12-13H,3-4H2",C10H10BrNO,,,,,,ZENXDUDCTZLSRP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.548,251-219-5,32793-04-7,Sodium tert-butyl carbonate,sodium tert-butyl carbonate,[Na+].CC(C)(C)OC(=O)[O-],[Na+].CC(C)(C)OC(=O)[O-],"InChI=1/C5H10O3.Na/c1-5(2,3)8-4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1",C5H10O3.Na,,,,,,ZYEMNJWJLARYJR-UHFFFAOYSA-M,,,,,,,,,,,
100.046.549,251-220-0,32793-78-5,(+)-[(2-methylbutoxy)methyl]benzene,[(2-methylbutoxy)methyl]benzene,CCC(C)COCc1ccccc1,CCC(C)COCc1ccccc1,"InChI=1/C12H18O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3",C12H18O,,,,,,YOANEDOLERYMCY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.552,251-223-7,32795-47-4,"8-ammonio-1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinolinium maleate","8-ammonio-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolinium but-2-enedioate",C[NH+]1CC(c2ccccc2)c3cccc([NH3+])c3C1.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+]1CC(c2ccccc2)c3cccc([NH3+])c3C1.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)",C16H18N2.C4H4O4,,,,,,GEOCVSMCLVIOEV-BTJKTKAUSA-N,,,,,,,,,,,
100.046.553,251-224-2,32795-85-0,o-(p-nitrophenoxy)anisole,1-methoxy-2-(4-nitrophenoxy)benzene,COc1ccccc1Oc2ccc(cc2)[N+](=O)[O-],COc1ccccc1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H11NO4/c1-17-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)14(15)16/h2-9H,1H3",C13H11NO4,,,,,,OOSBNKMKKNIQAN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.555,251-226-3,32797-92-5,Glipentide,N-(2-{4-[(cyclopentylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide,COc1ccccc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCC3,COc1ccccc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCC3,"InChI=1/C22H27N3O5S/c1-30-20-9-5-4-8-19(20)21(26)23-15-14-16-10-12-18(13-11-16)31(28,29)25-22(27)24-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14-15H2,1H3,(H,23,26)(H2,24,25,27)",C22H27N3O5S,,,,,,NSJYMFYVNWVGON-UHFFFAOYSA-N,,,,,,,,,,,
100.046.565,251-237-3,32815-96-6,2-nitrobutyl bromoacetate,2-nitrobutyl bromoacetate,CCC(COC(=O)CBr)[N+](=O)[O-],CCC(COC(=O)CBr)[N+](=O)[O-],"InChI=1/C6H10BrNO4/c1-2-5(8(10)11)4-12-6(9)3-7/h5H,2-4H2,1H3",C6H10BrNO4,,,,,,WSJZSGQAZLMVKM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.502,257-770-8,52236-82-5,"Methyl [4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenoxy]acetate","methyl {4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]phenoxy}acetate",COC(=O)COc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,COC(=O)COc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C23H17NO7/c1-29-18(26)11-30-12-6-8-13(9-7-12)31-17-10-16(25)19-20(21(17)24)23(28)15-5-3-2-4-14(15)22(19)27/h2-10,25H,11,24H2,1H3",C23H17NO7,,,,,,ZESKQYXABHALKR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.506,262-176-7,60329-31-9,"6-chloro-3-phenylpyridazin-4-ol, compound with 2,2',2''-nitrilotriethanol (1:1)","2,2',2''-nitrilotriethanol - 6-chloro-3-phenylpyridazin-4-ol (1:1)",OCCN(CCO)CCO.Oc1cc(Cl)nnc1c2ccccc2,OCCN(CCO)CCO.Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O.C6H15NO3/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;8-4-1-7(2-5-9)3-6-10/h1-6H,(H,12,14);8-10H,1-6H2",C10H7ClN2O.C6H15NO3,,,,,,IGZLZRRNVJPXKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.507,262-177-2,60329-32-0,"6-chloro-3-phenylpyridazin-4-ol, compound with pyrrolidine (1:1)",6-chloro-3-phenylpyridazin-4-ol - pyrrolidine (1:1),Oc1cc(Cl)nnc1c2ccccc2.C3CCNC3,Oc1cc(Cl)nnc1c2ccccc2.C3CCNC3,"InChI=1/C10H7ClN2O.C4H9N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6H,(H,12,14);5H,1-4H2",C10H7ClN2O.C4H9N,,,,,,APHJCNWSCMGDCS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.421,264-282-9,63512-34-5,"2,2-dimethylpropane-1,3-diyl bisisobutyrate","2,2-dimethylpropane-1,3-diyl bis(2-methylpropanoate)",CC(C)C(=O)OCC(C)(C)COC(=O)C(C)C,CC(C)C(=O)OCC(C)(C)COC(=O)C(C)C,"InChI=1/C13H24O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h9-10H,7-8H2,1-6H3",C13H24O4,,,,,,HACYJIJMLQDPDS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.423,264-285-5,63512-52-7,1-ethyl-4-(phenylthio)pyridinium iodide,1-ethyl-4-(phenylsulfanyl)pyridinium iodide,[I-].CC[n+]1ccc(Sc2ccccc2)cc1,[I-].CC[n+]1ccc(Sc2ccccc2)cc1,"InChI=1/C13H14NS.HI/c1-2-14-10-8-13(9-11-14)15-12-6-4-3-5-7-12;/h3-11H,2H2,1H3;1H/q+1;/p-1",C13H14NS.I,,,,,,KDAYPDWBPIWATK-UHFFFAOYSA-M,,,,,,,,,,,
100.058.432,264-294-4,63521-37-9,"3-methylpentane-2,3-diol","3-methylpentane-2,3-diol",CCC(C)(O)C(C)O,CCC(C)(O)C(C)O,"InChI=1/C6H14O2/c1-4-6(3,8)5(2)7/h5,7-8H,4H2,1-3H3",C6H14O2,,,,,,RLWWHEFTJSHFRN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.436,264-299-1,63527-52-6,Cefotaxime,"3-(acetoxymethyl)-7-{[(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",O=C3N1/C(=C(\\CS[C@@H]1[C@@H]3NC(=O)C(=NOC)c2csc(N)n2)COC(C)=O)C(O)=O,O=C3N1/C(=C(\CS[C@@H]1[C@@H]3NC(=O)C(=NOC)c2csc(N)n2)COC(C)=O)C(O)=O,"InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)",C16H17N5O7S2,,,,,,GPRBEKHLDVQUJE-QMTHXVAHSA-N,,,,,,,,,,,
100.058.459,264-324-6,63573-38-6,N-[4-[[2-[4-[(butylsulphonyl)amino]phenoxy]-1-oxotetradecyl]amino]-5-chloro-2-hydroxyphenyl]benzamide,N-{4-[(2-{4-[(butylsulfonyl)amino]phenoxy}tetradecanoyl)amino]-5-chloro-2-hydroxyphenyl}benzamide,CCCCCCCCCCCCC(Oc1ccc(NS(=O)(=O)CCCC)cc1)C(=O)Nc2cc(O)c(NC(=O)c3ccccc3)cc2Cl,CCCCCCCCCCCCC(Oc1ccc(NS(=O)(=O)CCCC)cc1)C(=O)Nc2cc(O)c(NC(=O)c3ccccc3)cc2Cl,"InChI=1/C37H50ClN3O6S/c1-3-5-7-8-9-10-11-12-13-17-20-35(47-30-23-21-29(22-24-30)41-48(45,46)25-6-4-2)37(44)39-32-27-34(42)33(26-31(32)38)40-36(43)28-18-15-14-16-19-28/h14-16,18-19,21-24,26-27,35,41-42H,3-13,17,20,25H2,1-2H3,(H,39,44)(H,40,43)",C37H50ClN3O6S,,,,,,NEKBHBOLMRWRBT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.301,259-750-4,55680-37-0,"2,2-bis(hydroxymethyl)-1,3-propanediyl dioctanoate","2,2-bis(hydroxymethyl)propane-1,3-diyl dioctanoate",CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC,CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC,"InChI=1/C21H40O6/c1-3-5-7-9-11-13-19(24)26-17-21(15-22,16-23)18-27-20(25)14-12-10-8-6-4-2/h22-23H,3-18H2,1-2H3",C21H40O6,,,,,,GZJYBYBQDJAIJV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.306,259-756-7,55692-91-6,"Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-methyl-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3ß,5ß)-","3-{[2,6-dideoxy-4-O-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycardanolide",COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8COC(=O)C8)C4)OC3C)OC2C)OC1C,COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8COC(=O)C8)C4)OC3C)OC2C)OC1C,"InChI=1/C42H68O13/c1-21-37(48-6)30(43)17-35(50-21)54-39-23(3)52-36(19-32(39)45)55-38-22(2)51-34(18-31(38)44)53-26-9-12-40(4)25(16-26)7-8-29-28(40)10-13-41(5)27(11-14-42(29,41)47)24-15-33(46)49-20-24/h21-32,34-39,43-45,47H,7-20H2,1-6H3",C42H66O13,,,,,,GXGWMLXTOYNICE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.311,259-761-4,55695-80-2,Lithium L-glutamate,dilithium 2-aminopentanedioate,[Li+].[Li+].N[C@@H](CCC(=O)[O-])C(=O)[O-],[Li+].[Li+].N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.2Li/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C5H9NO4.Li,,,,,,BBQKXICLDJHVSR-QTNFYWBSSA-L,,,,,,,,,,,
100.054.314,259-765-6,55698-67-4,8-hydroxyquinoline-4-carboxylic acid,8-hydroxyquinoline-4-carboxylic acid,OC(=O)c1ccnc2c(O)cccc12,OC(=O)c1ccnc2c(O)cccc12,"InChI=1/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)",C10H7NO3,,,,,,KPTUKANGPPVLMD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.319,259-770-3,55704-78-4,"2,5-dimethyl-1,4-dithiane-2,5-diol","2,5-dimethyl-1,4-dithiane-2,5-diol",CC1(O)CSC(C)(O)CS1,CC1(O)CSC(C)(O)CS1,"InChI=1/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3",C6H12O2S2,,,,,,NHKIYYMFGJBOTK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.453,259-918-7,55952-56-2,1-ethyl-4-methylquinolinium toluene-p-sulphonate,1-ethyl-4-methylquinolinium 4-methylbenzenesulfonate,CC[n+]1ccc(C)c2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[n+]1ccc(C)c2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C12H14N.C7H8O3S/c1-3-13-9-8-10(2)11-6-4-5-7-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C12H14N.C7H7O3S,,,,,,IVVQOSKVQMKYEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.054.457,259-922-9,55967-38-9,Potassium 5-methyl-3-phenylisoxazole-4-carboxylate,potassium 5-methyl-3-phenylisoxazole-4-carboxylate,[K+].Cc1onc(c2ccccc2)c1C(=O)[O-],[K+].Cc1onc(c2ccccc2)c1C(=O)[O-],"InChI=1/C11H9NO3.K/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8;/h2-6H,1H3,(H,13,14);/q;+1/p-1",C11H9NO3.K,,,,,,PHTQEZFERGIZTP-UHFFFAOYSA-M,,,,,,,,,,,
100.054.458,259-923-4,55967-52-7,"1,1,3,3-tetramethyl-1-vinyldisiloxane","1,1,3,3-tetramethyl-1-vinyldisiloxane",C[SiH](C)O[Si](C)(C)C=C,C[SiH](C)O[Si](C)(C)C=C,"InChI=1/C6H16OSi2/c1-6-9(4,5)7-8(2)3/h6,8H,1H2,2-5H3",C6H16OSi2,,,,,,UVLRQIDTOJPWEH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.462,259-928-1,55973-87-0,3-amino-7-(diethylamino)-2-methylphenoxazin-5-ium chloride,3-amino-7-(diethylamino)-2-methylphenoxazin-5-ium chloride,[Cl-].CCN(CC)c1ccc2nc3cc(C)c(N)cc3[o+]c2c1,[Cl-].CCN(CC)c1ccc2nc3cc(C)c(N)cc3[o+]c2c1,"InChI=1/C17H20N3O.ClH/c1-4-20(5-2)12-6-7-14-16(9-12)21-17-10-13(18)11(3)8-15(17)19-14;/h6-10H,4-5,18H2,1-3H3;1H/q+1;/p-1",C17H20N3O.Cl,,,,,,DRANZGSPAAKOPO-UHFFFAOYSA-M,,,,,,,,,,,
100.054.463,259-929-7,55974-33-9,1-(o-chlorophenyl)piperazine hydrochloride,1-(2-chlorophenyl)piperazine hydrochloride,Cl.Clc1ccccc1N2CCNCC2,Cl.Clc1ccccc1N2CCNCC2,"InChI=1/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H",C10H13ClN2.xClH,,,,,,GUTWDZXWTKMXPI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.354,236-705-7,13465-78-6,Chlorosilane,chlorosilane,[SiH3]Cl,[SiH3]Cl,InChI=1/ClH3Si/c1-2/h2H3,ClH3Si,,,,,,KOPOQZFJUQMUML-UHFFFAOYSA-N,,,,,,,,,,,
100.033.364,236-716-7,13466-21-2,Dibarium diphosphate,dibarium diphosphate,[Ba+2].[Ba+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Ba+2].[Ba+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2Ba.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)/q2*+2;;/p-6",Ba.1/2H4O7P2,,,,,,MIUDNIWAYUVCTG-UHFFFAOYSA-H,,,,,,,,,,,
100.034.875,238-379-1,14405-50-6,"Bis(1,3-diphenylpropane-1,3-dionato-O,O')cobalt","cobalt(2+) bis(3-oxo-1,3-diphenylprop-1-en-1-olate)",O=C(C=C(O[Co]OC(=CC(=O)c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4,O=C(C=C(O[Co]OC(=CC(=O)c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/2C15H12O2.Co/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-11,16H;/q;;+2/p-2",C30H22CoO4,,,,,,PHINRDPRLRZORI-UHFFFAOYSA-L,,,,,,,,,,,
100.034.881,238-385-4,14408-24-3,"7-[[4-chloro-6-[(4-sulphophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid","7-[{4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",Clc2nc(Nc1ccc(cc1)S(O)(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O,Clc2nc(Nc1ccc(cc1)S(O)(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O,"InChI=1/C27H22ClN7O11S3/c1-35(27-31-25(28)30-26(32-27)29-15-3-7-18(8-4-15)47(37,38)39)16-5-9-19-14(11-16)12-22(49(43,44)45)23(24(19)36)34-33-20-10-6-17(46-2)13-21(20)48(40,41)42/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32)",C27H22ClN7O11S3,,,,,,IAAFJDPGVQIVED-UHFFFAOYSA-N,,,,,,,,,,,
100.034.887,238-392-2,14417-90-4,4-nonyl-o-cresol,2-methyl-4-nonylphenol,CCCCCCCCCc1ccc(O)c(C)c1,CCCCCCCCCc1ccc(O)c(C)c1,"InChI=1/C16H26O/c1-3-4-5-6-7-8-9-10-15-11-12-16(17)14(2)13-15/h11-13,17H,3-10H2,1-2H3",C16H26O,,,,,,LUQSSEXHMSLJQS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.891,238-396-4,14426-21-2,Bis(hydroxyethyl)ammonium chloride,1-hydroxy-N-(1-hydroxyethyl)ethanaminium chloride,[Cl-].CC(O)[NH2+]C(C)O,[Cl-].CC(O)[NH2+]C(C)O,"InChI=1/C4H11NO2.ClH/c1-3(6)5-4(2)7;/h3-7H,1-2H3;1H",C4H11NO2.ClH,,,,,,KWZNEJISMPXLFS-UHFFFAOYSA-N,,,,,,,,,,,
100.034.898,238-405-1,14433-76-2,"N,N-dimethyldecan-1-amide","N,N-dimethyldecanamide",CCCCCCCCCC(=O)N(C)C,CCCCCCCCCC(=O)N(C)C,"InChI=1/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3",C12H25NO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15021,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.898,HNXNKTMIVROLTK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.380,241-134-1,17076-90-3,"1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate","1-methyl-2-[2-(2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CN1CCCN=C1\\C=C\\c2cccs2.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN1CCCN=C1\C=C\c2cccs2.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C11H14N2S.C6H8O7/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-6,9H,3,7-8H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C11H14N2S.xC6H8O7,,,,,,YJGGCARNRYGSPA-IPZCTEOASA-N,,,,,,,,,,,
100.037.383,241-137-8,17082-69-8,2-[2-(trichlorosilyl)ethyl]pyridine,2-[2-(trichlorosilyl)ethyl]pyridine,Cl[Si](Cl)(Cl)CCc1ccccn1,Cl[Si](Cl)(Cl)CCc1ccccn1,"InChI=1/C7H8Cl3NSi/c8-12(9,10)6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2",C7H8Cl3NSi,,,,,,GNXIZLXABHCZPO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.388,241-143-0,17084-13-8,Potassium hexafluorophosphate,potassium hexafluorophosphate,[K+].F[P-](F)(F)(F)(F)F,[K+].F[P-](F)(F)(F)(F)F,"InChI=1/F6P.K/c1-7(2,3,4,5)6;/q-1;+1",F6P.K,,,,,,YZDGRYDIGCWVND-UHFFFAOYSA-N,,,,,,,,,,,
100.054.370,259-826-7,55804-67-6,"10-acetyl-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one","10-acetyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one",CC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,CC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,"InChI=1/C17H17NO3/c1-10(19)14-9-12-8-11-4-2-6-18-7-3-5-13(15(11)18)16(12)21-17(14)20/h8-9H,2-7H2,1H3",C17H17NO3,,,,,,JBPCDMSEJVCNGV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.371,259-827-2,55804-68-7,"2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile","11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonitrile",O=C1Oc2c3CCCN4CCCc(cc2C=C1C#N)c34,O=C1Oc2c3CCCN4CCCc(cc2C=C1C#N)c34,"InChI=1/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2",C16H14N2O2,,,,,,LGDDFMCJIHJNMK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.372,259-828-8,55804-70-1,7-(ethylamino)-6-methyl-4-(trifluoromethyl)-2-benzopyrone,7-(ethylamino)-6-methyl-4-(trifluoromethyl)-2H-chromen-2-one,CCNc1cc2OC(=O)C=C(c2cc1C)C(F)(F)F,CCNc1cc2OC(=O)C=C(c2cc1C)C(F)(F)F,"InChI=1/C13H12F3NO2/c1-3-17-10-6-11-8(4-7(10)2)9(13(14,15)16)5-12(18)19-11/h4-6,17H,3H2,1-2H3",C13H12F3NO2,,,,,,NRZJOTSUPLCYDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.501,259-971-6,56057-93-3,5-isopropenyl-2-methylpyridine,5-isopropenyl-2-methylpyridine,CC(=C)c1ccc(C)nc1,CC(=C)c1ccc(C)nc1,"InChI=1/C9H11N/c1-7(2)9-5-4-8(3)10-6-9/h4-6H,1H2,2-3H3",C9H11N,,,,,,GJFICMVGNQQCEE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.308,252-055-7,34481-85-1,"Bis(3,5-diisopropylsalicylato-O1,O2)hydroxychromium","chromium(3+) hydroxide bis(2-hydroxy-3,5-diisopropylbenzoate)",CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)O[Cr](O)OC(=O)c2cc(cc(C(C)C)c2O)C(C)C,CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)O[Cr](O)OC(=O)c2cc(cc(C(C)C)c2O)C(C)C,"InChI=1/2C13H18O3.Cr.H2O/c2*1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;;/h2*5-8,14H,1-4H3,(H,15,16);;1H2/q;;+3;/p-3/rC26H35CrO7/c1-13(2)17-9-19(15(5)6)23(28)21(11-17)25(30)33-27(32)34-26(31)22-12-18(14(3)4)10-20(16(7)8)24(22)29/h9-16,28-29,32H,1-8H3",C26H35CrO7,,,,,,SKLOKXUKVDZGTC-UHFFFAOYSA-K,,,,,,,,,,,
100.047.316,252-064-6,34493-98-6,Dibekacin,"4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside",NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1,NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1,"InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2",C18H37N5O8,,,,,,JJCQSGDBDPYCEO-XVZSLQNASA-N,,,,,,,,,,,
100.047.317,252-065-1,34495-71-1,Ethyl (Z)-oct-4-enoate,ethyl oct-4-enoate,CCC\\C=C/CCC(=O)OCC,CCC\C=C/CCC(=O)OCC,"InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3",C10H18O2,,,,,,WRUZCQAJIHSQPL-SREVYHEPSA-N,,,,,,,,,,,
100.047.324,252-073-5,34531-26-5,2-ethylhexyl gallate,"2-ethylhexyl 3,4,5-trihydroxybenzoate",CCCCC(CC)COC(=O)c1cc(O)c(O)c(O)c1,CCCCC(CC)COC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C15H22O5/c1-3-5-6-10(4-2)9-20-15(19)11-7-12(16)14(18)13(17)8-11/h7-8,10,16-18H,3-6,9H2,1-2H3",C15H22O5,,,,,,MTPIQEWGULCIPM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.330,252-079-8,34545-88-5,"4,4a,5,6-tetrahydro-7-methylnaphthalene-2(3H)-one","7-methyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one",CC1=CC2=CC(=O)CCC2CC1,CC1=CC2=CC(=O)CCC2CC1,"InChI=1/C11H14O/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h6-7,9H,2-5H2,1H3",C11H14O,,,,,,NGSXTBFUMNXJDK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.335,252-085-0,34556-95-1,5-sulpho-o-anisic acid,2-methoxy-5-sulfobenzoic acid,COc1ccc(cc1C(=O)O)S(=O)(=O)O,COc1ccc(cc1C(=O)O)S(=O)(=O)O,"InChI=1/C8H8O6S/c1-14-7-3-2-5(15(11,12)13)4-6(7)8(9)10/h2-4H,1H3,(H,9,10)(H,11,12,13)",C8H8O6S,,,,,,FYTJTAFKCCEUIC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.338,252-088-7,34562-01-1,"(2a,3aa,4a,7a,7aß)-octahydro-4,7-methano-1H-indene-2-carboxylic acid","octahydro-1H-4,7-methanoindene-2-carboxylic acid",OC(=O)[C@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1,OC(=O)[C@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1,"InChI=1/C11H16O2/c12-11(13)8-4-9-6-1-2-7(3-6)10(9)5-8/h6-10H,1-5H2,(H,12,13)",C11H16O2,,,,,,RDARSNURXMFGDV-SOYHJAILSA-N,,,,,,,,,,,
100.047.339,252-089-2,34562-02-2,"(2a,3aa,4ß,7ß,7aß)-octahydro-4,7-methano-1H-indene-2-carboxylic acid","octahydro-1H-4,7-methanoindene-2-carboxylic acid",OC(=O)[C@@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1,OC(=O)[C@@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1,"InChI=1/C11H16O2/c12-11(13)8-4-9-6-1-2-7(3-6)10(9)5-8/h6-10H,1-5H2,(H,12,13)",C11H16O2,,,,,,RDARSNURXMFGDV-JDDHQFAOSA-N,,,,,,,,,,,
100.047.345,252-096-0,34571-06-7,Ethyl hexadecyl carbonate,ethyl hexadecyl carbonate,CCCCCCCCCCCCCCCCOC(=O)OCC,CCCCCCCCCCCCCCCCOC(=O)OCC,"InChI=1/C19H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21-4-2/h3-18H2,1-2H3",C19H38O3,,,,,,VOLKWMGYUIZMAD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.347,252-098-1,34577-40-7,"a,a-diethylphenethyl alcohol",3-benzylpentan-3-ol,CCC(O)(CC)Cc1ccccc1,CCC(O)(CC)Cc1ccccc1,"InChI=1/C12H18O/c1-3-12(13,4-2)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3",C12H18O,,,,,,VXSLZYONEMVQRB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.506,257-775-5,52238-69-4,"Disodium 3,3'-[[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl]bis[imino(3-methoxy-4,1-phenylene)azo]]bis[benzenesulphonate]","disodium 3,3'-({6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl}bis[imino(3-methoxy-4,1-phenylene)diazene-2,1-diyl])dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc5ccc(Nc2nc(nc(n2)N(CCO)CCO)Nc4ccc(N=Nc3cccc(c3)S([O-])(=O)=O)cc4OC)c(OC)c5,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc5ccc(Nc2nc(nc(n2)N(CCO)CCO)Nc4ccc(N=Nc3cccc(c3)S([O-])(=O)=O)cc4OC)c(OC)c5,"InChI=1/C33H34N10O10S2.2Na/c1-52-29-19-23(41-39-21-5-3-7-25(17-21)54(46,47)48)9-11-27(29)34-31-36-32(38-33(37-31)43(13-15-44)14-16-45)35-28-12-10-24(20-30(28)53-2)42-40-22-6-4-8-26(18-22)55(49,50)51;;/h3-12,17-20,44-45H,13-16H2,1-2H3,(H,46,47,48)(H,49,50,51)(H2,34,35,36,37,38);;/q;2*+1/p-2",C33H34N10O10S2.2Na,,,,,,NUTZBMSWUMFSIW-UHFFFAOYSA-L,,,,,,,,,,,
100.052.514,257-783-9,52244-81-2,Methyl 3-[p-(hexadecyloxy)phenyl]-3-oxopropionate,methyl 3-[4-(hexadecyloxy)phenyl]-3-oxopropanoate,CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)OC,CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)OC,"InChI=1/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-24-19-17-23(18-20-24)25(27)22-26(28)29-2/h17-20H,3-16,21-22H2,1-2H3",C26H42O4,,,,,,HQLVFFFDPGVGHG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.515,257-784-4,52246-55-6,"Benzoic acid, 2-[[4-chloro-6-[[3-[[8-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, tetrasodium salt","tetrasodium 2-({4-chloro-6-[(3-{[8-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-5-sulfobenzoate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4cc(cc5cc(c(N=Nc3cc(Nc2nc(Nc1ccc(cc1C([O-])=O)S(O)(=O)=O)nc(Cl)n2)ccc3S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)nc(n6)N(C)c7ccccc7,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4cc(cc5cc(c(N=Nc3cc(Nc2nc(Nc1ccc(cc1C([O-])=O)S(O)(=O)=O)nc(Cl)n2)ccc3S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)nc(n6)N(C)c7ccccc7,"InChI=1/C36H26Cl2N12O15S4.4Na/c1-50(18-5-3-2-4-6-18)36-45-32(38)44-35(47-36)41-24-15-20(67(57,58)59)11-16-12-26(69(63,64)65)28(29(51)27(16)24)49-48-23-13-17(7-10-25(23)68(60,61)62)39-33-42-31(37)43-34(46-33)40-22-9-8-19(66(54,55)56)14-21(22)30(52)53;;;;/h2-15,51H,1H3,(H,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,41,44,45,47)(H2,39,40,42,43,46);;;;/q;4*+1/p-4",C36H26Cl2N12O15S4.4Na,,,,,,AZYHPHOAMRCNHC-UHFFFAOYSA-J,,,,,,,,,,,
100.052.523,257-793-3,52258-02-3,N-[4-methoxy-3-[(phenylmethyl)amino]phenyl]acetamide,N-[3-(benzylamino)-4-methoxyphenyl]acetamide,COc1ccc(NC(=O)C)cc1NCc2ccccc2,COc1ccc(NC(=O)C)cc1NCc2ccccc2,"InChI=1/C16H18N2O2/c1-12(19)18-14-8-9-16(20-2)15(10-14)17-11-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,18,19)",C16H18N2O2,,,,,,YVYKCBBUIXNBDT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.530,257-802-0,52274-73-4,Calcium dodecylphenolate,calcium bis(2-dodecylphenolate),[Ca+2].CCCCCCCCCCCCc1ccccc1[O-].CCCCCCCCCCCCc2ccccc2[O-],[Ca+2].CCCCCCCCCCCCc1ccccc1[O-].CCCCCCCCCCCCc2ccccc2[O-],"InChI=1/2C18H30O.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;/h2*12-13,15-16,19H,2-11,14H2,1H3;/q;;+2/p-2",C18H30O.1/2Ca,,,,,,AOEDKRBKBXVTAU-UHFFFAOYSA-L,,,,,,,,,,,
100.061.630,267-813-2,67934-90-1,1-naphthyl 5-oxo-L-prolinate,1-naphthyl 5-oxo-L-prolinate,O=C(Oc1cccc2ccccc12)[C@@H]3CCC(=O)N3,O=C(Oc1cccc2ccccc12)[C@@H]3CCC(=O)N3,"InChI=1/C15H13NO3/c17-14-9-8-12(16-14)15(18)19-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,16,17)",C15H13NO3,,,,,,KBXKGZPUJFVDLQ-LBPRGKRZSA-N,,,,,,,,,,,
100.061.631,267-814-8,67934-92-3,2-naphthyl 5-oxo-L-prolinate,2-naphthyl 5-oxo-L-prolinate,O=C(Oc1ccc2ccccc2c1)[C@@H]3CCC(=O)N3,O=C(Oc1ccc2ccccc2c1)[C@@H]3CCC(=O)N3,"InChI=1/C15H13NO3/c17-14-8-7-13(16-14)15(18)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,17)",C15H13NO3,,,,,,ZFLYMZADKJPSIM-ZDUSSCGKSA-N,,,,,,,,,,,
100.061.632,267-815-3,67935-96-0,"1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(morpholinomethyl)-1H-1,2,4-triazole-3-carboxylic acid monohydrochloride","1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(morpholin-4-ylmethyl)-1H-1,2,4-triazole-3-carboxylic acid hydrochloride",Cl.OC(=O)c1nc(CN2CCOCC2)n(n1)c3ccc(Cl)cc3C(=O)c4ccccc4Cl,Cl.OC(=O)c1nc(CN2CCOCC2)n(n1)c3ccc(Cl)cc3C(=O)c4ccccc4Cl,"InChI=1/C21H18Cl2N4O4.ClH/c22-13-5-6-17(15(11-13)19(28)14-3-1-2-4-16(14)23)27-18(24-20(25-27)21(29)30)12-26-7-9-31-10-8-26;/h1-6,11H,7-10,12H2,(H,29,30);1H",C21H18Cl2N4O4.ClH,,,,,,NNWJPEOZCGYCLF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.635,267-819-5,67936-18-9,"[1-[[4-[3-(p-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1-methylethyl]trimethylammonium methyl sulphate","2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)-N,N,N-trimethylpropan-2-aminium methyl sulfate",COS(=O)(=O)[O-].CC(C)([N+](C)(C)C)S(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,COS(=O)(=O)[O-].CC(C)([N+](C)(C)C)S(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C21H27ClN3O2S.CH4O4S/c1-21(2,25(3,4)5)28(26,27)19-12-10-18(11-13-19)24-15-14-20(23-24)16-6-8-17(22)9-7-16;1-5-6(2,3)4/h6-13H,14-15H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C21H27ClN3O2S.CH3O4S,,,,,,SVZFYRDPMOKVLE-UHFFFAOYSA-M,,,,,,,,,,,
100.061.636,267-820-0,67936-79-2,"1,3-diazido-1,1,3,3-tetrabutyldistannoxane","3,3'-(1,1,3,3-tetrabutyldistannoxane-1,3-diyl)bis(triaza-1,2-dien-2-ium-1-ide)",CCCC[Sn](CCCC)(O[Sn](CCCC)(CCCC)N=[N+]=[N-])N=[N+]=[N-],CCCC[Sn](CCCC)(O[Sn](CCCC)(CCCC)N=[N+]=[N-])N=[N+]=[N-],"InChI=1/4C4H9.2N3.O.2Sn/c4*1-3-4-2;2*1-3-2;;;/h4*1,3-4H2,2H3;;;;;/q;;;;2*-1;;2*+1/rC16H36N6OSn2/c1-5-9-13-24(21-19-17,14-10-6-2)23-25(22-20-18,15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C16H36N6OSn2,,,,,,KUDOPQNLAJIUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.323,259-775-0,55719-88-5,"5-phenyl-1H-tetrazole, barium salt",barium bis(5-phenyltetrazol-1-ide),[Ba](n1nnnc1c2ccccc2)n3nnnc3c4ccccc4,[Ba](n1nnnc1c2ccccc2)n3nnnc3c4ccccc4,InChI=1/2C7H5N4.Ba/c2*1-2-4-6(5-3-1)7-8-10-11-9-7;/h2*1-5H;/q2*-1;+2/rC14H10BaN8/c1-3-7-11(8-4-1)13-16-18-20-22(13)15-23-14(17-19-21-23)12-9-5-2-6-10-12/h1-10H,C7H6N4.1/2Ba,,,,,,UWEHKQXAACULAX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.327,259-779-2,55728-51-3,"(2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-4'-yl)hydroxymercury","(2',7'-dibromo-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)(hydroxy)mercury",O[Hg]c1c(O)c(Br)cc2c1Oc3cc(O)c(Br)cc3C24OC(=O)c5ccccc45,O[Hg]c1c(O)c(Br)cc2c1Oc3cc(O)c(Br)cc3C24OC(=O)c5ccccc45,"InChI=1/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20;;/h1-7,23-24H;;1H2/q;+1;/p-1/rC20H10Br2HgO6/c21-12-5-10-15(7-14(12)24)28-18-11(6-13(22)17(25)16(18)23-27)20(10)9-4-2-1-3-8(9)19(26)29-20/h1-7,24-25,27H",C20H10Br2HgO6,,,,,,GWQCGQYPYHOMSJ-UHFFFAOYSA-M,,,,,,,,,,,
100.047.274,252-018-5,34432-82-1,"Ammonium bis(2,3-dibromopropyl) phosphate","ammonium bis(2,3-dibromopropyl) phosphate",[NH4+].[O-]P(=O)(OCC(Br)CBr)OCC(Br)CBr,[NH4+].[O-]P(=O)(OCC(Br)CBr)OCC(Br)CBr,"InChI=1/C6H11Br4O4P.H3N/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8;/h5-6H,1-4H2,(H,11,12);1H3",C6H11Br4O4P.H3N,,,,,,HUNCOJQSARNBJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.287,252-032-1,34446-34-9,"1-methoxy-2-phenyl-3H-naphtho[2,1,8-mna]xanthen-3-one","1-methoxy-2-phenyl-3H-naphtho[2,1,8-mna]xanthen-3-one",COC1=C(C(=O)c2ccc3Oc4ccccc4c5ccc1c2c35)c6ccccc6,COC1=C(C(=O)c2ccc3Oc4ccccc4c5ccc1c2c35)c6ccccc6,"InChI=1/C26H16O3/c1-28-26-19-12-11-17-16-9-5-6-10-20(16)29-21-14-13-18(23(19)24(17)21)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3",C26H16O3,,,,,,IHKXTWLMAYXHLL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.294,252-040-5,34452-78-3,3-carboxy-1-methylpyridinium methyl sulphate,3-carboxy-1-methylpyridinium methyl sulfate,COS(=O)(=O)[O-].C[n+]1cccc(c1)C(=O)O,COS(=O)(=O)[O-].C[n+]1cccc(c1)C(=O)O,"InChI=1/C7H7NO2.CH4O4S/c1-8-4-2-3-6(5-8)7(9)10;1-5-6(2,3)4/h2-5H,1H3;1H3,(H,2,3,4)",C7H8NO2.CH3O4S,,,,,,CEHBZQVUCLBGSH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.298,252-044-7,34455-00-0,"1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulphonamide","1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide",OCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H10F9NO4S/c9-5(10,7(13,14)15)6(11,12)8(16,17)23(21,22)18(1-3-19)2-4-20/h19-20H,1-4H2",C8H10F9NO4S,,,,,,XYQNMGJZDSSVRP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.300,252-046-8,34455-29-3,"Carboxymethyldimethyl-3-[[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulphonyl]amino]propylammonium hydroxide","N-(carboxymethyl)-N,N-dimethyl-3-{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}propan-1-aminium hydroxide",[OH-].C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O,[OH-].C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O,"InChI=1/C15H19F13N2O4S.H2O/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28;/h29H,3-8H2,1-2H3;1H2",C15H19F13N2O4S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17549,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.300,CZNAFSQSVJBJPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.305,252-052-0,34464-38-5,Isodecane,2-methylnonane,CCCCCCCC(C)C,CCCCCCCC(C)C,"InChI=1/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3",C10H22,,,,,,SGVYKUFIHHTIFL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.306,252-053-6,34464-40-9,Isononane,2-methyloctane,CCCCCCC(C)C,CCCCCCC(C)C,"InChI=1/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3",C9H20,,,,,,ZUBZATZOEPUUQF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.307,252-054-1,34472-48-5,1-(1-methylethylidene)-1H-indene,1-isopropylidene-1H-indene,CC(=C1C=Cc2ccccc12)C,CC(=C1C=Cc2ccccc12)C,"InChI=1/C12H12/c1-9(2)11-8-7-10-5-3-4-6-12(10)11/h3-8H,1-2H3",C12H12,,,,,,UFTDYDBGSOOBGX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.511,262-181-4,60329-47-7,"6-chloro-3-phenylpyridazin-4-ol, compound with 2-(dimethylamino)ethanol (1:1)",2-(dimethylamino)ethanol - 6-chloro-3-phenylpyridazin-4-ol (1:1),CN(C)CCO.Oc1cc(Cl)nnc1c2ccccc2,CN(C)CCO.Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O.C4H11NO/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-5(2)3-4-6/h1-6H,(H,12,14);6H,3-4H2,1-2H3",C10H7ClN2O.C4H11NO,,,,,,PXDRNCIPDKTABW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.512,262-183-5,60329-58-0,"6-chloro-3-phenylpyridazin-4-ol, compound with methylamine (1:1)",6-chloro-3-phenylpyridazin-4-ol - methanamine (1:1),CN.Oc1cc(Cl)nnc1c2ccccc2,CN.Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O.CH5N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2/h1-6H,(H,12,14);2H2,1H3",C10H7ClN2O.CH5N,,,,,,IGZHXXLDTOQYAM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.515,262-186-1,60335-70-8,"5,6-dihydro-4-methyl-2-phenyl-2H-pyran","4-methyl-6-phenyl-3,6-dihydro-2H-pyran",CC1=CC(OCC1)c2ccccc2,CC1=CC(OCC1)c2ccccc2,"InChI=1/C12H14O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3",C12H14O,,,,,,YXKYECZAOSJDGP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.516,262-187-7,60335-71-9,"3,6-dihydro-4-methyl-2-phenyl-2H-pyran","4-methyl-2-phenyl-3,6-dihydro-2H-pyran",CC1=CCOC(C1)c2ccccc2,CC1=CCOC(C1)c2ccccc2,"InChI=1/C12H14O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3",C12H14O,,,,,,SWOPLXXJAVYFPY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.398,241-154-0,17090-79-8,Monensin,"4-(2-{2-ethyl-5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-3'-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylpentanoic acid",OC(=O)[C@@H](C)[C@H](OC)[C@H](C)[C@H]5O[C@@]1(CC[C@](C)(O1)[C@H]2CC[C@](CC)(O2)[C@@H]3O[C@H](C[C@@H]3C)[C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@H](O)[C@H]5C,OC(=O)[C@@H](C)[C@H](OC)[C@H](C)[C@H]5O[C@@]1(CC[C@](C)(O1)[C@H]2CC[C@](CC)(O2)[C@@H]3O[C@H](C[C@@H]3C)[C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@H](O)[C@H]5C,"InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)",C36H62O11,,,,,,GAOZTHIDHYLHMS-KEOBGNEYSA-N,Positive/Negative,mzcloud:1514,[M+NH4]+;[M+Na]+,HCD_Averaged,385.2736:403.2842:421.2949:443.3157:461.3264:581.3840:599.3949:617.4048:635.4154:653.4259:319.2265:301.2160:279.1954:261.1849:167.10664:149.09610:125.0961:107.08552:91.05421:79.05423:67.05422:55.05423,HighChem,mzcloud:1514,[M-H]-,HCD_Averaged,637.3957:593.4059:455.3014:57.0346:87.0451:101.0608:137.09719:153.09210,HighChem
100.037.400,241-156-1,17091-13-3,D-glucitol hexanitrate,"1,2,3,4,5,6-hexa-O-nitro-D-glucitol",[O-][N+](=O)OC[C@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],[O-][N+](=O)OC[C@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C6H8N6O18/c13-7(14)25-1-3(27-9(17)18)5(29-11(21)22)6(30-12(23)24)4(28-10(19)20)2-26-8(15)16/h3-6H,1-2H2",C6H8N6O18,,,,,,DGMJZELBSFOPHH-JGWLITMVSA-N,,,,,,,,,,,
100.037.402,241-158-2,17091-31-5,Bromo(hexahydro-2H-azepin-2-onato-N)magnesium,magnesium bromide 2-oxoazepan-1-ide,Br[Mg]N1CCCCCC1=O,Br[Mg]N1CCCCCC1=O,"InChI=1/C6H11NO.BrH.Mg/c8-6-4-2-1-3-5-7-6;;/h1-5H2,(H,7,8);1H;/q;;+2/p-2/rC6H10BrMgNO/c7-8-9-5-3-1-2-4-6(9)10/h1-5H2",C6H10BrMgNO,,,,,,BOQJOCGCWDUQOA-UHFFFAOYSA-L,,,,,,,,,,,
100.037.405,241-161-9,17094-21-2,Methyl 2-methylacetoacetate,methyl 2-methyl-3-oxobutanoate,COC(=O)C(C)C(=O)C,COC(=O)C(C)C(=O)C,"InChI=1/C6H10O3/c1-4(5(2)7)6(8)9-3/h4H,1-3H3",C6H10O3,,,,,,NDTWZHURUDSPQV-UHFFFAOYSA-N,,,,,,,,,,,
100.037.413,241-170-8,17099-70-6,Aluminium hexafluorosilicate,aluminium hexafluorosilicate,[Al+3].[Al+3].F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F,[Al+3].[Al+3].F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F,"InChI=1/2Al.3F6Si/c;;3*1-7(2,3,4,5)6/q2*+3;3*-2",Al.3/2F6Si,,,,,,YOKYIYGYAGPUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.416,241-173-4,17102-64-6,"(E,E)-hexa-2,4-dien-1-ol","hexa-2,4-dien-1-ol",C\\C=C\\C=C\\CO,C\C=C\C=C\CO,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3",C6H10O,,,,,,MEIRRNXMZYDVDW-MQQKCMAXSA-N,,,,,,,,,,,
100.037.421,241-179-7,17110-51-9,Cholest-5-en-3ß-yl (Z)-octadec-9-en-1-yl carbonate,cholest-5-en-3-yl octadec-9-en-1-yl carbonate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCC\C=C/CCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3",C46H80O3,,,,,,XMPIMLRYNVGZIA-TZOMHRFMSA-N,,,,,,,,,,,
100.036.373,240-027-7,15890-18-3,"Lauric acid, compound with cyclohexylamine (1:1)",dodecanoic acid - cyclohexanamine (1:1),CCCCCCCCCCCC(=O)O.NC1CCCCC1,CCCCCCCCCCCC(=O)O.NC1CCCCC1,"InChI=1/C12H24O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-6-4-2-1-3-5-6/h2-11H2,1H3,(H,13,14);6H,1-5,7H2",C12H24O2.C6H13N,,,,,,BHYTYRNNCQSTCG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.250,240-991-9,16925-39-6,Calcium hexafluorosilicate,calcium hexafluorosilicate,[Ca+2].F[Si-2](F)(F)(F)(F)F,[Ca+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/Ca.F6Si/c;1-7(2,3,4,5)6/q+2;-2",Ca.F6Si,,,,,,CVWSBMWWVFJIBN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.259,241-001-8,16938-22-0,"2,2,4-trimethylhexa-1,6-diyl diisocyanate","1,6-diisocyanato-2,2,4-trimethylhexane",CC(CCN=C=O)CC(C)(C)CN=C=O,CC(CCN=C=O)CC(C)(C)CN=C=O,"InChI=1/C11H18N2O2/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h10H,4-7H2,1-3H3",C11H18N2O2,,,,,,ATOUXIOKEJWULN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.265,241-008-6,16940-97-9,Dipotassium hexachlororhenate,dipotassium hexachlororhenate(2-),[K+].[K+].Cl[Re-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].Cl[Re-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2K.Re/h6*1H;;;/q;;;;;;2*+1;+6/p-6/rCl6Re.2K/c1-7(2,3,4,5)6;;/q;2*+1",Cl6Re.2K,,,,,,HGCRXIXEXSEJGV-UHFFFAOYSA-H,,,,,,,,,,,
100.037.268,241-011-2,16941-25-6,Disodium hexachloroiridate,disodium hexachloroiridate(2-),[Na+].[Na+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,[Na+].[Na+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Ir.2Na/h6*1H;;;/q;;;;;;+4;2*+1/p-6/rCl6Ir.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",Cl6Ir.2Na,,,,,,FIRKRGYQHMEVBV-UHFFFAOYSA-H,,,,,,,,,,,
100.037.271,241-014-9,16944-17-5,"N-[(tert-butoxy)carbonyl]-L-valine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-L-valine - N-cyclohexylcyclohexanamine (1:1),CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C10H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h11-13H,1-10H2;6-7H,1-5H3,(H,11,14)(H,12,13)",C12H23N.C10H19NO4,,,,,,ZXQUVHMSZOXTOI-ZLTKDMPESA-N,,,,,,,,,,,
100.056.565,262-240-4,60452-44-0,2-(dimethylamino)ethyl (-)-(1-hydroxycyclopentyl)phenylacetate hydrochloride,2-(dimethylamino)ethyl (1-hydroxycyclopentyl)(phenyl)acetate hydrochloride,Cl.CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,Cl.CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,"InChI=1/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H",C17H25NO3.ClH,,,,,,RHKZVMUBMXGOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.566,262-242-5,60452-46-2,2-(dimethylamino)ethyl (+)-(1-hydroxycyclopentyl)phenylacetate hydrochloride,2-(dimethylamino)ethyl (1-hydroxycyclopentyl)(phenyl)acetate hydrochloride,Cl.CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,Cl.CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,"InChI=1/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H",C17H25NO3.ClH,,,,,,RHKZVMUBMXGOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.582,262-259-8,60487-27-6,"2,2'-[[2-[[2-[(2-hydroxyethyl)amino]ethyl]amino]ethyl]imino]bisethanol","2,2'-{[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)ethyl]imino}diethanol",OCCNCCNCCN(CCO)CCO,OCCNCCNCCN(CCO)CCO,"InChI=1/C10H25N3O3/c14-8-4-12-2-1-11-3-5-13(6-9-15)7-10-16/h11-12,14-16H,1-10H2",C10H25N3O3,,,,,,FZESNTXZWKMSPC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.595,262-273-4,60518-05-0,Tris[4-[(3-methylphenyl)amino]phenyl]methylium sulphate (2:1),bis(tris{4-[(3-methylphenyl)amino]phenyl}methylium) sulfate,Cc1cccc(Nc2ccc(cc2)[C+](c3ccc(Nc4cccc(C)c4)cc3)c5ccc(Nc6cccc(C)c6)cc5)c1.Cc7cccc(Nc8ccc(cc8)[C+](c9ccc(Nc%10cccc(C)c%10)cc9)c%11ccc(Nc%12cccc(C)c%12)cc%11)c7.[O-]S(=O)(=O)[O-],Cc1cccc(Nc2ccc(cc2)[C+](c3ccc(Nc4cccc(C)c4)cc3)c5ccc(Nc6cccc(C)c6)cc5)c1.Cc7cccc(Nc8ccc(cc8)[C+](c9ccc(Nc%10cccc(C)c%10)cc9)c%11ccc(Nc%12cccc(C)c%12)cc%11)c7.[O-]S(=O)(=O)[O-],"InChI=1/2C40H37N3.H2O4S/c2*1-28-7-4-10-37(25-28)41-34-19-13-31(14-20-34)40(32-15-21-35(22-16-32)42-38-11-5-8-29(2)26-38)33-17-23-36(24-18-33)43-39-12-6-9-30(3)27-39;1-5(2,3)4/h2*4-27,40-43H,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C40H36N3.1/2O4S,,,,,,ZQXQKEKKCWMSEP-UHFFFAOYSA-L,,,,,,,,,,,
100.060.134,266-168-4,66119-40-2,Tris(bicyclo[2.2.1]hept-5-en-2-ylmethoxy)phosphine,tris(bicyclo[2.2.1]hept-5-en-2-ylmethyl) phosphite,C(OP(OCC1CC2CC1C=C2)OCC3CC4CC3C=C4)C5CC6CC5C=C6,C(OP(OCC1CC2CC1C=C2)OCC3CC4CC3C=C4)C5CC6CC5C=C6,"InChI=1/C24H33O3P/c1-4-19-7-16(1)10-22(19)13-25-28(26-14-23-11-17-2-5-20(23)8-17)27-15-24-12-18-3-6-21(24)9-18/h1-6,16-24H,7-15H2",C24H33O3P,,,,,,GUFZRRVHTRKMNB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.136,266-171-0,66130-90-3,Trimethylsilyl (diethoxyphosphinoyl)acetate,trimethylsilyl (diethoxyphosphoryl)acetate,CCOP(=O)(CC(=O)O[Si](C)(C)C)OCC,CCOP(=O)(CC(=O)O[Si](C)(C)C)OCC,"InChI=1/C9H21O5PSi/c1-6-12-15(11,13-7-2)8-9(10)14-16(3,4)5/h6-8H2,1-5H3",C9H21O5PSi,,,,,,VHIDZGBMGSRVHR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.152,266-188-3,66161-54-4,N-(3-morpholinopropyl)myristamide,N-(3-morpholin-4-ylpropyl)tetradecanamide,CCCCCCCCCCCCCC(=O)NCCCN1CCOCC1,CCCCCCCCCCCCCC(=O)NCCCN1CCOCC1,"InChI=1/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(24)22-15-13-16-23-17-19-25-20-18-23/h2-20H2,1H3,(H,22,24)",C21H42N2O2,,,,,,SGMPITCSYKANAI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.153,266-189-9,66161-55-5,N-(3-morpholinopropyl)dodecanamide N-oxide,4-{3-[dodecanoyl(oxido)amino]propyl}morpholine,CCCCCCCCCCCC(=O)[NH+]([O-])CCCN1CCOCC1,CCCCCCCCCCCC(=O)[NH+]([O-])CCCN1CCOCC1,"InChI=1/C19H38N2O3/c1-2-3-4-5-6-7-8-9-10-12-19(22)21(23)14-11-13-20-15-17-24-18-16-20/h21H,2-18H2,1H3",C19H38N2O3,,,,,,ULDUBVVSNLZVIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.154,266-190-4,66161-56-6,N-(3-morpholinopropyl)myristamide N-oxide,4-{3-[oxido(tetradecanoyl)amino]propyl}morpholine,CCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN1CCOCC1,CCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN1CCOCC1,"InChI=1/C21H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(24)23(25)16-13-15-22-17-19-26-20-18-22/h23H,2-20H2,1H3",C21H42N2O3,,,,,,JHJNGJJMRVIPKX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.156,266-193-0,66161-58-8,"Sodium 3,6,9,12-tetraoxapentacosyl sulphate","sodium 3,6,9,12-tetraoxapentacos-1-yl sulfate",[Na+].CCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCOCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C21H44O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-25-14-15-26-16-17-27-18-19-28-20-21-29-30(22,23)24;/h2-21H2,1H3,(H,22,23,24);/q;+1/p-1",C21H44O8S.Na,,,,,,VKSOIUJNYKLRSM-UHFFFAOYSA-M,,,,,,,,,,,
100.060.159,266-196-7,66161-61-3,"3,6,9,12,15,18,21,24-octaoxaheptatriacontanoic acid","3,6,9,12,15,18,21,24-octaoxaheptatriacontan-1-oic acid",CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O,CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O,"InChI=1/C29H58O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-25-38-26-27-39-28-29(30)31/h2-28H2,1H3,(H,30,31)",C29H58O10,,,,,,XBMLLJLGCSRVNC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.164,266-201-2,66161-66-8,N-[3-[bis(2-hydroxyethyl)amino]propyl]dodecanamide N-oxide,"2,2'-({3-[dodecanoyl(oxido)amino]propyl}imino)diethanol",CCCCCCCCCCCC(=O)[NH+]([O-])CCCN(CCO)CCO,CCCCCCCCCCCC(=O)[NH+]([O-])CCCN(CCO)CCO,"InChI=1/C19H40N2O4/c1-2-3-4-5-6-7-8-9-10-12-19(24)21(25)14-11-13-20(15-17-22)16-18-23/h21-23H,2-18H2,1H3",C19H40N2O4,,,,,,YBESNJCTZXEOCP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.507,259-977-9,56065-37-3,"(1,1-dipropylbutyl)ammonium chloride",4-propylheptan-4-aminium chloride,[Cl-].CCCC([NH3+])(CCC)CCC,[Cl-].CCCC([NH3+])(CCC)CCC,"InChI=1/C10H23N.ClH/c1-4-7-10(11,8-5-2)9-6-3;/h4-9,11H2,1-3H3;1H",C10H23N.ClH,,,,,,ZDHVFXADPHSDRI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.510,259-981-0,56076-21-2,2-ethoxy-5-fluoropyrimidin-4-amine,2-ethoxy-5-fluoropyrimidin-4-amine,CCOc1ncc(F)c(N)n1,CCOc1ncc(F)c(N)n1,"InChI=1/C6H8FN3O/c1-2-11-6-9-3-4(7)5(8)10-6/h3H,2H2,1H3,(H2,8,9,10)",C6H8FN3O,,,,,,UNPWKSQAHRVMMH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.642,267-826-3,67939-23-5,Butyltris[[2-[(2-ethyl-1-oxohexyl)oxy]ethyl]thio]stannane,"4-butyl-10-ethyl-4-({2-[(2-ethylhexanoyl)oxy]ethyl}sulfanyl)-9-oxo-8-oxa-3,5-dithia-4-stannatetradec-1-yl 2-ethylhexanoate (non-preferred name)",CCCCC(CC)C(=O)OCCS[Sn](CCCC)(SCCOC(=O)C(CC)CCCC)SCCOC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OCCS[Sn](CCCC)(SCCOC(=O)C(CC)CCCC)SCCOC(=O)C(CC)CCCC,"InChI=1/3C10H20O2S.C4H9.Sn/c3*1-3-5-6-9(4-2)10(11)12-7-8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC34H66O6S3Sn/c1-8-15-19-29(12-5)32(35)38-22-25-41-44(28-18-11-4,42-26-23-39-33(36)30(13-6)20-16-9-2)43-27-24-40-34(37)31(14-7)21-17-10-3/h29-31H,8-28H2,1-7H3",C34H66O6S3Sn,,,,,,NDXASEYUWBMJMU-UHFFFAOYSA-K,,,,,,,,,,,
100.061.643,267-827-9,67939-24-6,"3,4,5,6-tetrachloro-N-cyclooctylphthalimide","4,5,6,7-tetrachloro-2-cyclooctyl-1H-isoindole-1,3(2H)-dione",Clc1c(Cl)c(Cl)c2C(=O)N(C3CCCCCCC3)C(=O)c2c1Cl,Clc1c(Cl)c(Cl)c2C(=O)N(C3CCCCCCC3)C(=O)c2c1Cl,"InChI=1/C16H15Cl4NO2/c17-11-9-10(12(18)14(20)13(11)19)16(23)21(15(9)22)8-6-4-2-1-3-5-7-8/h8H,1-7H2",C16H15Cl4NO2,,,,,,BUZJUKRHYPZXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.645,267-830-5,67939-26-8,[2-(methacryloyloxy)ethyl]dimethylammonium hydrogen sulphate,"2-(methacryloyloxy)-N,N-dimethylethanaminium hydrogen sulfate",C[NH+](C)CCOC(=O)C(=C)C.[O-]S(=O)(=O)[O-],C[NH+](C)CCOC(=O)C(=C)C.[O-]S(=O)(=O)[O-],"InChI=1/C8H15NO2.H2O4S/c1-7(2)8(10)11-6-5-9(3)4;1-5(2,3)4/h1,5-6H2,2-4H3;(H2,1,2,3,4)/p-1",C8H15NO2.H2O4S,,,,,,SPPGBVHTKYQNLW-UHFFFAOYSA-M,,,,,,,,,,,
100.056.795,262-495-1,60864-62-2,"2-bromo-6ß-fluoro-11a,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate","2-bromo-6-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C)Br,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C)Br,"InChI=1/C23H28BrFO6/c1-11(26)31-10-19(29)23(30)5-4-13-12-6-16(25)14-7-17(27)15(24)8-21(14,2)20(12)18(28)9-22(13,23)3/h7-8,12-13,16,18,20,28,30H,4-6,9-10H2,1-3H3",C23H28BrFO6,,,,,,VLHFEVUZLWCVEM-RCYUAJJPSA-N,,,,,,,,,,,
100.056.796,262-496-7,60864-66-6,"2-bromo-6ß-fluoro-17,21-dihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate","2-bromo-6-fluoro-17-hydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]12C)Br,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]12C)Br,"InChI=1/C23H26BrFO5/c1-12(26)30-11-20(28)23(29)7-5-15-13-8-18(25)16-9-19(27)17(24)10-21(16,2)14(13)4-6-22(15,23)3/h4,9-10,13,15,18,29H,5-8,11H2,1-3H3",C23H26BrFO5,,,,,,NXKRMOXYVGMCPV-ZPNJXGEYSA-N,,,,,,,,,,,
100.056.799,262-499-3,60864-70-2,"2-bromo-9ß,11ß-epoxy-6ß-fluoro-16a,17,21-trihydroxypregna-1,4-diene-3,20-dione","2-bromo-6-fluoro-16,17,21-trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@]12C[C@@H]3O[C@]34[C@@H](C[C@@H](F)C5=CC(=O)C(=C[C@]45C)Br)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,C[C@]12C[C@@H]3O[C@]34[C@@H](C[C@@H](F)C5=CC(=O)C(=C[C@]45C)Br)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,"InChI=1/C21H24BrFO6/c1-18-7-17-21(29-17)10(9(18)5-15(26)20(18,28)16(27)8-24)3-13(23)11-4-14(25)12(22)6-19(11,21)2/h4,6,9-10,13,15,17,24,26,28H,3,5,7-8H2,1-2H3",C21H24BrFO6,,,,,,FUBXEJMHWJJGLI-DOUMDCTRSA-N,,,,,,,,,,,
100.056.802,262-502-8,60864-74-6,"2-bromo-6ß-fluoro-11a,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-acetate","2-bromo-6-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)Br,C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)Br,"InChI=1/C24H30BrFO6/c1-11-5-14-13-6-17(26)15-7-18(28)16(25)8-22(15,3)21(13)19(29)9-23(14,4)24(11,31)20(30)10-32-12(2)27/h7-8,11,13-14,17,19,21,29,31H,5-6,9-10H2,1-4H3",C24H30BrFO6,,,,,,JGHVFJUALVMUCA-SMOOVBRJSA-N,,,,,,,,,,,
100.056.808,262-509-6,60875-16-3,4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid,"4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid",CC1=NN(C(=O)C1)c2ccc(cc2)C(=O)O,CC1=NN(C(=O)C1)c2ccc(cc2)C(=O)O,"InChI=1/C11H10N2O3/c1-7-6-10(14)13(12-7)9-4-2-8(3-5-9)11(15)16/h2-5H,6H2,1H3,(H,15,16)",C11H10N2O3,,,,,,CUGBBQWDGCXWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.823,262-525-3,60911-92-4,Bis[p-[benzylethylamino]benzenediazonium] hexachlorostannate(2-),bis{4-[benzyl(ethyl)amino]benzenediazonium} hexachlorostannate(2-),CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N.CCN(Cc3ccccc3)c4ccc(cc4)[N+]#N.Cl[Sn-2](Cl)(Cl)(Cl)(Cl)Cl,CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N.CCN(Cc3ccccc3)c4ccc(cc4)[N+]#N.Cl[Sn-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/2C15H16N3.6ClH.Sn/c2*1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;;;;;;;/h2*3-11H,2,12H2,1H3;6*1H;/q2*+1;;;;;;;+4/p-6/r2C15H16N3.Cl6Sn/c2*1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;1-7(2,3,4,5)6/h2*3-11H,2,12H2,1H3;/q2*+1;-2",C15H16N3.1/2Cl6Sn,,,,,,DITILNYZHMQBMM-UHFFFAOYSA-H,,,,,,,,,,,
100.056.827,262-530-0,60937-55-5,"Carbonic acid, calcium magnesium salt, basic",-,[Mg+2].[Ca+2].[O-]C(=O)[O-],[Mg+2].[Ca+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Ca.Mg/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+2/p-2",-,,,,,,FAUBXGKXRRLTLE-UHFFFAOYSA-L,,,,,,,,,,,
100.056.829,262-532-1,60942-21-4,a-cyclopropylthiophene-2-methanol,cyclopropyl(2-thienyl)methanol,OC(C1CC1)c2cccs2,OC(C1CC1)c2cccs2,"InChI=1/C8H10OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8-9H,3-4H2",C8H10OS,,,,,,PEZSCBMHDXNXQL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.832,262-535-8,60951-03-3,1-(hexyloxy)naphthalene,1-(hexyloxy)naphthalene,CCCCCCOc1cccc2ccccc12,CCCCCCOc1cccc2ccccc12,"InChI=1/C16H20O/c1-2-3-4-7-13-17-16-12-8-10-14-9-5-6-11-15(14)16/h5-6,8-12H,2-4,7,13H2,1H3",C16H20O,,,,,,UDMRXJVASPGFQM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.526,262-198-7,60363-25-9,"O-(4-hydroxy-3,5-diiodophenyl)-DL-tyrosine","O-(4-hydroxy-3,5-diiodophenyl)tyrosine",N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)cc1)C(=O)O,N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)cc1)C(=O)O,"InChI=1/C15H13I2NO4/c16-11-6-10(7-12(17)14(11)19)22-9-3-1-8(2-4-9)5-13(18)15(20)21/h1-4,6-7,13,19H,5,18H2,(H,20,21)",C15H13I2NO4,,,,,,LROTZSUGDZPWDN-ZDUSSCGKSA-N,,,,,,,,,,,
100.056.527,262-199-2,60364-28-5,Bismuth 2-propylvalerate,bismuth(3+) tris(2-propylpentanoate),[BiH3+3].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-],[BiH3+3].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-],"InChI=1/3C8H16O2.Bi.3H/c3*1-3-5-7(6-4-2)8(9)10;;;;/h3*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;+3;;;/p-3/r3C8H16O2.BiH3/c3*1-3-5-7(6-4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3/q;;;+3/p-3",C8H16O2.xBi,,,,,,QJVJVICROBOLGY-UHFFFAOYSA-K,,,,,,,,,,,
100.056.529,262-201-1,60373-59-3,Sodium bis(5-oxo-DL-prolinate),sodium bis(5-oxo-DL-prolinate),[Na+].[Na+].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[Na+].[Na+].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.2Na/c2*7-4-2-1-3(6-4)5(8)9;;/h2*3H,1-2H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2",C5H7NO3.1/2Na,,,,,,HFDJCQPFBSOJFL-OYIAIMIOSA-L,,,,,,,,,,,
100.056.531,262-203-2,60376-08-1,Tripotassium hydrogen (1-hydroxyethylidene)bisphosphonate,"tripotassium hydrogen (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[K+].[K+].[K+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[K+].[K+].[K+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.3K/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;/q;3*+1/p-4",C2H8O7P2.3K,,,,,,PRHFJKSAPKLZLP-UHFFFAOYSA-J,,,,,,,,,,,
100.056.540,262-213-7,60388-53-6,"N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-DL-glutamic acid","N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid",CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)",C20H22N8O5,,,,,,FBOZXECLQNJBKD-ZDUSSCGKSA-N,,,,,,,,,,,
100.056.548,262-222-6,60410-99-3,"4,4'-bi-m-toluidine dihydrochloride","2,2'-dimethylbiphenyl-4,4'-diamine dihydrochloride",Cl.Cl.Cc1cc(N)ccc1c2ccc(N)cc2C,Cl.Cl.Cc1cc(N)ccc1c2ccc(N)cc2C,"InChI=1/C14H16N2.2ClH/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;;/h3-8H,15-16H2,1-2H3;2*1H",C14H16N2.2ClH,,,,,,UGBRWPHXDCDHIM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.462,264-327-2,63573-84-2,a-propylcyclohexylmethyl acetate,(1-propylcyclohexyl)methyl acetate,CCCC1(COC(=O)C)CCCCC1,CCCC1(COC(=O)C)CCCCC1,"InChI=1/C12H22O2/c1-3-7-12(10-14-11(2)13)8-5-4-6-9-12/h3-10H2,1-2H3",C12H22O2,,,,,,IBZORPDUHGIBDA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.475,264-341-9,63589-04-8,"Dibromo-6,14-dichloropyranthrene-8,16-dione","1,2-dibromo-6,14-dichloropyranthrene-8,16-dione",Clc1cc2C(=O)c3ccccc3c4cc5c(Cl)cc6C(=O)c7c(Br)c(Br)ccc7c8cc1c(c24)c5c68,Clc1cc2C(=O)c3ccccc3c4cc5c(Cl)cc6C(=O)c7c(Br)c(Br)ccc7c8cc1c(c24)c5c68,InChI=1/C30H10Br2Cl2O2/c31-20-6-5-12-15-8-17-21(33)9-18-23-14(11-3-1-2-4-13(11)29(18)35)7-16-22(34)10-19(24(15)26(16)25(17)23)30(36)27(12)28(20)32/h1-10H,C30H10Br2Cl2O2,,,,,,PFKGBHLOPWYCNL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.479,264-346-6,63589-22-0,"Disodium 4-[(2,4-dihydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-[(2,4-dihydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc3cc(O)ccc3N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc3cc(O)ccc3N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H12N2O9S2.2Na/c19-9-1-2-12(14(20)5-9)17-18-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13;;/h1-7,19-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C16H12N2O9S2.2Na,,,,,,KBLGETIFHKVSQU-UHFFFAOYSA-L,,,,,,,,,,,
100.058.482,264-349-2,63589-27-5,"N,N'-bis(isopropyl)urea, compound with sulphur trioxide (1:1)","1,3-diisopropylurea - oxosulfane dioxide (1:1)",CC(C)NC(=O)NC(C)C.O=S(=O)=O,CC(C)NC(=O)NC(C)C.O=S(=O)=O,"InChI=1/C7H16N2O.O3S/c1-5(2)8-7(10)9-6(3)4;1-4(2)3/h5-6H,1-4H3,(H2,8,9,10);",C7H16N2O.O3S,,,,,,JCIPZQGUCROOJE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.485,264-352-9,63589-30-0,"3,3-dimethyl-2-[(2-naphthylazo)methylene]indoline","3,3-dimethyl-2-[(2-naphthyldiazenyl)methylene]indoline",CC3(C)c4ccccc4NC3=CN=Nc1cc2ccccc2cc1,CC3(C)c4ccccc4NC3=CN=Nc1cc2ccccc2cc1,"InChI=1/C21H19N3/c1-21(2)18-9-5-6-10-19(18)23-20(21)14-22-24-17-12-11-15-7-3-4-8-16(15)13-17/h3-14,23H,1-2H3",C21H19N3,,,,,,HGFPDEVRSZMUMG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.486,264-353-4,63589-33-3,"2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium methyl sulphate","2-{[4-(dimethylamino)phenyl]diazenyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium methyl sulfate",CN2/C=C\\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.[O-]S(=O)(=O)OC,CN2/C=C\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.[O-]S(=O)(=O)OC,"InChI=1/C13H19N5.CH4O4S/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-5-6(2,3)4/h5-10,13H,1-4H3;1H3,(H,2,3,4)",C13H18N5.CH3O4S,,,,,,ZKIDOMMPYLGIQI-UHFFFAOYSA-N,,,,,,,,,,,
100.037.273,241-017-5,16948-00-8,"N-(tert-butoxycarbonyl)-L-isoleucine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-L-isoleucine - N-cyclohexylcyclohexanamine (1:1),CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C11H21NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h11-13H,1-10H2;7-8H,6H2,1-5H3,(H,12,15)(H,13,14)",C12H23N.C11H21NO4,,,,,,NCLUKCZVJYNXBY-ZZTIAJOGSA-N,,,,,,,,,,,
100.037.281,241-025-9,16954-69-1,N-methylbenzothiazol-2-amine,"N-methyl-1,3-benzothiazol-2-amine",CNc1nc2ccccc2s1,CNc1nc2ccccc2s1,"InChI=1/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)",C8H8N2S,,,,,,QVKPPRYUGJFISN-UHFFFAOYSA-N,,,,,,,,,,,
100.037.290,241-035-3,16962-29-1,Dipotassium hexafluoroiridate,dipotassium hexafluoroiridate(2-),[K+].[K+].F[Ir-2](F)(F)(F)(F)F,[K+].[K+].F[Ir-2](F)(F)(F)(F)F,"InChI=1/6FH.Ir.2K/h6*1H;;;/q;;;;;;+4;2*+1/p-6/rF6Ir.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",F6Ir.2K,,,,,,NHWGNVMLUMUSCZ-UHFFFAOYSA-H,,,,,,,,,,,
100.054.470,259-937-0,55993-15-2,"2-[2-(2-ethoxyethoxy)ethyl]-6-hydroxy-5-[(2-methyl-4-nitrophenyl)azo]-1H-benz[de]isoquinoline-1,3(2H)-dione","2-[2-(2-ethoxyethoxy)ethyl]-6-hydroxy-5-[(2-methyl-4-nitrophenyl)diazenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione",[O-][N+](=O)c4ccc(N=Nc1cc2C(=O)N(CCOCCOCC)C(=O)c3cccc(c1O)c23)c(C)c4,[O-][N+](=O)c4ccc(N=Nc1cc2C(=O)N(CCOCCOCC)C(=O)c3cccc(c1O)c23)c(C)c4,"InChI=1/C25H24N4O7/c1-3-35-11-12-36-10-9-28-24(31)18-6-4-5-17-22(18)19(25(28)32)14-21(23(17)30)27-26-20-8-7-16(29(33)34)13-15(20)2/h4-8,13-14,30H,3,9-12H2,1-2H3",C25H24N4O7,,,,,,LBTJLLHSDMFUTN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.472,259-939-1,56000-16-9,"(,Z,Z)-4-(heptadec-8-enylidene)-3-(hexadec-7-enyl)oxetan-2-one",4-heptadec-8-en-1-yl-3-hexadec-7-en-1-yloxetan-2-one,CCCCCCCC\\C=C/CCCCCCCC1OC(=O)C1CCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC1OC(=O)C1CCCCCC\C=C/CCCCCCCC,"InChI=1/C36H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,34-35H,3-16,21-33H2,1-2H3",C36H64O2,,,,,,NTLJTEOZVLQFPY-CLFAGFIQSA-N,,,,,,,,,,,
100.054.474,259-941-2,56001-43-5,(±)-nerolidyl acetate,"1,5,9-trimethyl-1-vinyldeca-4,8-dien-1-yl acetate",CC(=CCCC(=CCCC(C)(OC(=O)C)C=C)C)C,CC(=CCCC(=CCCC(C)(OC(=O)C)C=C)C)C,"InChI=1/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3",C17H28O2,,,,,,PRNJXUQTUSFYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.475,259-942-8,56004-61-6,(2H10)-o-xylene,o-xylene,Cc1ccccc1C,Cc1ccccc1C,"InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",C8D10,,,,,,CTQNGGLPUBDAKN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.476,259-943-3,56011-02-0,Isopentyl phenethyl ether,[2-(3-methylbutoxy)ethyl]benzene,CC(C)CCOCCc1ccccc1,CC(C)CCOCCc1ccccc1,"InChI=1/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3",C13H20O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18703,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.476,BHQBQWOZHYUVTL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.482,259-950-1,56025-96-8,Cyclohexylcyclohexanone,"1,1'-bi(cyclohexyl)-2-one",O=C1CCCCC1C2CCCCC2,O=C1CCCCC1C2CCCCC2,"InChI=1/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2",C12H20O,,,,,,UOBQDYFTAJKQAL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.483,259-951-7,56031-79-9,"1,5-dimethyl-9-oxabicyclo[6.1.0]non-4-ene","1,5-dimethyl-9-oxabicyclo[6.1.0]non-4-ene",CC1=CCCC2(C)OC2CC1,CC1=CCCC2(C)OC2CC1,"InChI=1/C10H16O/c1-8-4-3-7-10(2)9(11-10)6-5-8/h4,9H,3,5-7H2,1-2H3",C10H16O,,,,,,BZIFVLXIZIMQRT-YWEYNIOJSA-N,,,,,,,,,,,
100.054.484,259-952-2,56038-13-2,"1,6-dichloro-1,6-dideoxy-ß-D-fructofuranosyl 4-chloro-4-deoxy-a-D-galactose","1,6-dichloro-1,6-dideoxyhex-2-ulofuranosyl 4-chloro-4-deoxyhexopyranoside",OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,"InChI=1/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2",C12H19Cl3O8,,,,,,BAQAVOSOZGMPRM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.486,259-954-3,56041-57-7,"1-(2,3-dichlorophenyl)ethan-1-one","1-(2,3-dichlorophenyl)ethanone",CC(=O)c1cccc(Cl)c1Cl,CC(=O)c1cccc(Cl)c1Cl,"InChI=1/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3",C8H6Cl2O,,,,,,KMABBMYSEVZARZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.629,260-111-7,56326-98-8,1-(4-fluorophenyl)-4-oxocyclohexanecarbonitrile,1-(4-fluorophenyl)-4-oxocyclohexanecarbonitrile,Fc1ccc(cc1)C2(CCC(=O)CC2)C#N,Fc1ccc(cc1)C2(CCC(=O)CC2)C#N,"InChI=1/C13H12FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4H,5-8H2",C13H12FNO,,,,,,FNWWTNNFZGBMEM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.630,260-112-2,56329-30-7,"Hydroxy(hydroxymethanesulphinato-O1,O2)zinc",zinc hydroxide hydroxymethanesulfinate,OCS(=O)O[Zn]O,OCS(=O)O[Zn]O,"InChI=1/CH4O3S.H2O.Zn/c2-1-5(3)4;;/h2H,1H2,(H,3,4);1H2;/q;;+2/p-2/rCH4O4SZn/c2-1-6(3)5-7-4/h2,4H,1H2",CH4O4SZn,,,,,,CIBREKQHESSJKW-UHFFFAOYSA-L,,,,,,,,,,,
100.034.906,238-414-0,14437-41-3,Clioxanide,"2-[(4-chlorophenyl)carbamoyl]-4,6-diiodophenyl acetate",CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Cl)cc2,CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Cl)cc2,"InChI=1/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)",C15H10ClI2NO3,,,,,,ICKMASVVMCGZLR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.515,259-986-8,56090-54-1,Triglycerol,"3,3'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]dipropane-1,2-diol",OCC(O)COCC(O)COCC(O)CO,OCC(O)COCC(O)COCC(O)CO,"InChI=1/C9H20O7/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-14H,1-6H2",C9H20O7,,,,,,AGNTUZCMJBTHOG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.527,259-999-9,56113-24-7,"Dipotassium 9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonate","dipotassium 1,8-dihydroxy-4,5-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonate",[K+].[K+].Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-],[K+].[K+].Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H6N2O14S2.2K/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)10-8(13(7)19)4(16(23)24)2-6(12(10)18)32(28,29)30;;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C14H6N2O14S2.2K,,,,,,ZKCBTQXLFZCRAA-UHFFFAOYSA-L,,,,,,,,,,,
100.054.528,260-000-3,56113-25-8,"9,10-dihydroanthracene-1,4,5,8,9,10-hexol","9,10-dihydroanthracene-1,4,5,8,9,10-hexol",OC1c2c(O)ccc(O)c2C(O)c3c(O)ccc(O)c13,OC1c2c(O)ccc(O)c2C(O)c3c(O)ccc(O)c13,"InChI=1/C14H12O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,13-20H",C14H12O6,,,,,,JXWXPAFRMYIIKO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.531,260-004-5,56125-08-7,"2,5-dichloro-4-[[4-(diethylamino)-o-tolyl]azo]benzenesulphonic acid","2,5-dichloro-4-{[4-(diethylamino)-2-methylphenyl]diazenyl}benzenesulfonic acid",Clc2cc(c(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC)S(O)(=O)=O,Clc2cc(c(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC)S(O)(=O)=O,"InChI=1/C17H19Cl2N3O3S/c1-4-22(5-2)12-6-7-15(11(3)8-12)20-21-16-9-14(19)17(10-13(16)18)26(23,24)25/h6-10H,4-5H2,1-3H3,(H,23,24,25)",C17H19Cl2N3O3S,,,,,,IYXNKPQTBLXSBW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.532,260-005-0,56134-03-3,"(Z,Z)-heptadeca-1,8,11-triene","heptadeca-1,8,11-triene",CCCCC\\C=C/C\\C=C/CCCCCC=C,CCCCC\C=C/C\C=C/CCCCCC=C,"InChI=1/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,12,14-15,17H,1,4-11,13,16H2,2H3",C17H30,,,,,,XFZBIINLEPBMDY-NERFDCTISA-N,,,,,,,,,,,
100.054.533,260-006-6,56134-05-5,"2,5-dimethyl-2-vinylhex-4-enal","2,5-dimethyl-2-vinylhex-4-enal",CC(=CCC(C)(C=C)C=O)C,CC(=CCC(C)(C=C)C=O)C,"InChI=1/C10H16O/c1-5-10(4,8-11)7-6-9(2)3/h5-6,8H,1,7H2,2-4H3",C10H16O,,,,,,FGBSITKWTRVADL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.538,260-011-3,56139-76-5,"N,N,1-trimethyl-1H-pyrrole-2-methylamine","N,N-dimethyl-1-(1-methyl-1H-pyrrol-2-yl)methanamine",CN(C)Cc1cccn1C,CN(C)Cc1cccn1C,"InChI=1/C8H14N2/c1-9(2)7-8-5-4-6-10(8)3/h4-6H,7H2,1-3H3",C8H14N2,,,,,,AQVCJKMGVKNXCB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.544,260-018-1,56149-05-4,"2,3-bis[(1-oxooctyl)oxy]propyl stearate","2,3-bis(octanoyloxy)propyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,"InChI=1/C37H70O6/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-25-27-30-36(39)42-33-34(43-37(40)31-28-24-12-9-6-3)32-41-35(38)29-26-23-11-8-5-2/h34H,4-33H2,1-3H3",C37H70O6,,,,,,MZOBWBAHWLTJCC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.545,260-019-7,56149-06-5,"2,3-bis(acetoxy)propyl docosanoate","2,3-diacetoxypropyl docosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C,"InChI=1/C29H54O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)34-25-28(35-27(3)31)24-33-26(2)30/h28H,4-25H2,1-3H3",C29H54O6,,,,,,YNDIWSFVSPIYNK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.548,260-022-3,56149-52-1,(4-hydroxybutyl) hydrogen succinate,4-(4-hydroxybutoxy)-4-oxobutanoic acid,OCCCCOC(=O)CCC(=O)O,OCCCCOC(=O)CCC(=O)O,"InChI=1/C8H14O5/c9-5-1-2-6-13-8(12)4-3-7(10)11/h9H,1-6H2,(H,10,11)",C8H14O5,,,,,,KCROXMKUVBDUMP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.549,260-023-9,56149-93-0,"N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCO)CCO)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCO)CCO)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C19H21ClN6O8/c1-11(29)21-14-9-16(24(3-5-27)4-6-28)18(34-2)10-15(14)22-23-19-13(20)7-12(25(30)31)8-17(19)26(32)33/h7-10,27-28H,3-6H2,1-2H3,(H,21,29)",C19H21ClN6O8,,,,,,ZGEDNLYBHOQTOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.353,252-104-2,34590-94-8,(2-methoxymethylethoxy)propanol,1-(3-methoxypropoxy)propan-1-ol,CCC(O)OCCCOC,CCC(O)OCCCOC,"InChI=1/C7H16O3/c1-3-7(8)10-6-4-5-9-2/h7-8H,3-6H2,1-2H3",C7H16O3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14751,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.353,SHRGCOIDGUJGJI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.355,252-106-3,34592-47-7,(R)-thiazolidine-4-carboxylic acid,"1,3-thiazolidine-4-carboxylic acid",OC(=O)[C@@H]1CSCN1,OC(=O)[C@@H]1CSCN1,"InChI=1/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)",C4H7NO2S,,,,,,DZLNHFMRPBPULJ-VKHMYHEASA-N,,,,,,,,,,,
100.047.362,252-114-7,34619-07-3,[bis(dimethylamino)methylene]dimethylthiourea,"3-[bis(dimethylamino)methylene]-1,1-dimethylthiourea",CN(C)C(=S)N=C(N(C)C)N(C)C,CN(C)C(=S)N=C(N(C)C)N(C)C,InChI=1/C8H18N4S/c1-10(2)7(11(3)4)9-8(13)12(5)6/h1-6H3,C8H18N4S,,,,,,GGNRRWRAKZQSKG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.369,252-122-0,34625-23-5,Ethyl D-glucopyranoside,ethyl D-glucopyranoside,CCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3",C8H16O6,,,,,,WYUFTYLVLQZQNH-KEWYIRBNSA-N,,,,,,,,,,,
100.046.575,251-248-3,32832-01-2,"Cholest-5-en-3ß-yl 2,4-dichlorobenzoate","cholest-5-en-3-yl 2,4-dichlorobenzoate",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(Cl)cc5Cl,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(Cl)cc5Cl,"InChI=1/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3",C34H48Cl2O2,,,,,,NZZFKZMKJPWVDL-XBGNAKIGSA-N,,,,,,,,,,,
100.046.577,251-250-4,32835-27-1,3-allyl-2-[3-[3-allylbenzothiazol-2(3H)-ylidene]prop-1-enyl]benzothiazolium bromide,"3-allyl-2-[3-(3-allyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium bromide",[Br-].C=CC[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2CC=C,[Br-].C=CC[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2CC=C,"InChI=1/C23H21N2S2.BrH/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h3-15H,1-2,16-17H2;1H/q+1;/p-1",C23H21N2S2.Br,,,,,,YAGAKRLBKZLCNW-UHFFFAOYSA-M,,,,,,,,,,,
100.046.581,251-255-1,32838-55-4,2-benzylpiperidine,2-benzylpiperidine,C(C1CCCCN1)c2ccccc2,C(C1CCCCN1)c2ccccc2,"InChI=1/C12H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-3,6-7,12-13H,4-5,8-10H2",C12H17N,,,,,,ITXCORRITGNIHP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.585,251-259-3,32852-92-9,1-(3-phenoxyphenyl)ethan-1-one,1-(3-phenoxyphenyl)ethanone,CC(=O)c1cccc(Oc2ccccc2)c1,CC(=O)c1cccc(Oc2ccccc2)c1,"InChI=1/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3",C14H12O2,,,,,,FZCDBGYCFVKRDV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.587,251-261-4,32854-09-4,Dimethyl L-cystinate dihydrochloride,dimethyl L-cystinate dihydrochloride,Cl.Cl.COC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OC,Cl.Cl.COC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OC,"InChI=1/C8H16N2O4S2.2ClH/c1-13-7(11)5(9)3-15-16-4-6(10)8(12)14-2;;/h5-6H,3-4,9-10H2,1-2H3;2*1H",C8H16N2O4S2.2ClH,,,,,,QKWGUPFPCRKKMQ-USPAICOZSA-N,,,,,,,,,,,
100.046.590,251-265-6,32860-62-1,O-a-D-glucopyranosyl-(1<U+2192>4)-O-a-D-glucopyranosyl-(1<U+2192>4)-D-glucitol,hexopyranosyl-(1->4)hexopyranosyl-(1->1)hexitol,OCC(O)C(O)C(O)C(O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,OCC(O)C(O)C(O)C(O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,"InChI=1/C18H34O16/c19-1-5(22)9(24)10(25)6(23)4-31-17-15(30)13(28)16(8(3-21)33-17)34-18-14(29)12(27)11(26)7(2-20)32-18/h5-30H,1-4H2",C18H34O16,,,,,,GWDSXPQBYYRTLO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.595,251-270-3,32866-11-8,"1-amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt","disodium 1-amino-4-[(4-amino-3-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1S(=O)(=O)O[Na],Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1S(=O)(=O)O[Na],"InChI=1/C20H15N3O8S2.2Na/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/rC20H13N3Na2O8S2/c21-12-6-5-9(7-14(12)34(28,29)32-24)23-13-8-15(35(30,31)33-25)18(22)17-16(13)19(26)10-3-1-2-4-11(10)20(17)27/h1-8,23H,21-22H2",C20H15N3O8S2.xNa,,,,,,GUCIZQSDEMEOAP-UHFFFAOYSA-L,,,,,,,,,,,
100.046.597,251-272-4,32868-25-0,Ethyl 2-(4-aminophenyl)propionate,ethyl 2-(4-aminophenyl)propanoate,CCOC(=O)C(C)c1ccc(N)cc1,CCOC(=O)C(C)c1ccc(N)cc1,"InChI=1/C11H15NO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3,12H2,1-2H3",C11H15NO2,,,,,,MWBVNWYNXULIDI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.599,251-275-0,32873-56-6,"N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)acetamide","N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide",CC(=O)NC1=NNC(=S)S1,CC(=O)NC1=NNC(=S)S1,"InChI=1/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)",C4H5N3OS2,,,,,,DWSMAMSVZRCQMP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.601,251-277-1,32887-01-7,Mecillinam,"6-[(azepan-1-ylmethylene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",O=C(O)[C@@H]2N3C(=O)[C@@H](N=CN1CCCCCC1)[C@H]3SC2(C)C,O=C(O)[C@@H]2N3C(=O)[C@@H](N=CN1CCCCCC1)[C@H]3SC2(C)C,"InChI=1/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)",C15H23N3O3S,,,,,,BWWVAEOLVKTZFQ-NTZNESFSSA-N,,,,,,,,,,,
100.046.604,251-280-8,32889-46-6,"2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylpropiononitrile","2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylpropanenitrile",CC(C)(Nc1nc(Cl)nc(Cl)n1)C#N,CC(C)(Nc1nc(Cl)nc(Cl)n1)C#N,"InChI=1/C7H7Cl2N5/c1-7(2,3-10)14-6-12-4(8)11-5(9)13-6/h1-2H3,(H,11,12,13,14)",C7H7Cl2N5,,,,,,ULLANAVHNCIQLO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.544,257-817-2,52287-51-1,"6-bromo-2,3-dihydro-1,4-benzodioxin","6-bromo-2,3-dihydro-1,4-benzodioxine",Brc1ccc2OCCOc2c1,Brc1ccc2OCCOc2c1,"InChI=1/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2",C8H7BrO2,,,,,,LFCURAJBHDNUNG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.545,257-818-8,52293-23-9,"2-[4-(1,3-benzodioxol-5-ylmethyl)piperazinyl]pyrimidinium methanesulphonate","2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-1-ium methanesulfonate",CS(=O)(=O)[O-].C(N1CCN(CC1)c2nccc[nH+]2)c3ccc4OCOc4c3,CS(=O)(=O)[O-].C(N1CCN(CC1)c2nccc[nH+]2)c3ccc4OCOc4c3,"InChI=1/C16H18N4O2.CH4O3S/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;1-5(2,3)4/h1-5,10H,6-9,11-12H2;1H3,(H,2,3,4)",C16H18N4O2.CH4O3S,,,,,,DEZKFCIOSKCCHK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.487,264-355-5,63589-47-9,"3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1)","bis[3,7-bis(diethylamino)phenoxazin-5-ium] tetrachlorozincate(2-)",CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.CCN(CC)c4ccc5nc6ccc(cc6[o+]c5c4)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.CCN(CC)c4ccc5nc6ccc(cc6[o+]c5c4)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C20H26N3O.4ClH.Zn/c2*1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;;;/h2*9-14H,5-8H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C20H26N3O.Cl4Zn/c2*1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-5(2,3)4/h2*9-14H,5-8H2,1-4H3;/q2*+1;-2",C20H26N3O.1/2Cl4Zn,,,,,,ADMXOBZMMQYVKF-UHFFFAOYSA-J,,,,,,,,,,,
100.054.339,259-792-3,55750-48-6,"Methyl 2,5-dihydro-2,5-dioxo-1H-pyrrole-1-carboxylate","methyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate",COC(=O)N1C(=O)C=CC1=O,COC(=O)N1C(=O)C=CC1=O,"InChI=1/C6H5NO4/c1-11-6(10)7-4(8)2-3-5(7)9/h2-3H,1H3",C6H5NO4,,,,,,LLAZQXZGAVBLRX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.340,259-793-9,55750-51-1,"Benzyl 2,5-dihydro-2,5-dioxo-1H-pyrrole-1-carboxylate","benzyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate",O=C(OCc1ccccc1)N2C(=O)C=CC2=O,O=C(OCc1ccccc1)N2C(=O)C=CC2=O,"InChI=1/C12H9NO4/c14-10-6-7-11(15)13(10)12(16)17-8-9-4-2-1-3-5-9/h1-7H,8H2",C12H9NO4,,,,,,FACGDKXRLCOWHU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.345,259-799-1,55764-22-2,"S-(2,5-dimethyl-3-furyl) ethanethioate","S-(2,5-dimethyl-3-furyl) ethanethioate",CC(=O)Sc1cc(C)oc1C,CC(=O)Sc1cc(C)oc1C,"InChI=1/C8H10O2S/c1-5-4-8(6(2)10-5)11-7(3)9/h4H,1-3H3",C8H10O2S,,,,,,LULNJORVPBVGRB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.348,259-802-6,55764-28-8,"S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate","S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate",CC(C)CC(=O)Sc1cc(C)oc1C,CC(C)CC(=O)Sc1cc(C)oc1C,"InChI=1/C11H16O2S/c1-7(2)5-11(12)14-10-6-8(3)13-9(10)4/h6-7H,5H2,1-4H3",C11H16O2S,,,,,,XFNLWIPNTYNNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.350,259-804-7,55766-52-4,"4-[4-(2-chlorophenyl)-2-phenyloxazol-5-yl]-N,N-diethylaniline","4-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-N,N-diethylaniline",CCN(CC)c1ccc(cc1)c2oc(nc2c3ccccc3Cl)c4ccccc4,CCN(CC)c1ccc(cc1)c2oc(nc2c3ccccc3Cl)c4ccccc4,"InChI=1/C25H23ClN2O/c1-3-28(4-2)20-16-14-18(15-17-20)24-23(21-12-8-9-13-22(21)26)27-25(29-24)19-10-6-5-7-11-19/h5-17H,3-4H2,1-2H3",C25H23ClN2O,,,,,,JHXYCTMOASWKJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.352,259-806-8,55772-05-9,"Dihydrogen 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(4-methoxy-3-sulphonatophenyl)phenazinium","5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-({8-[ethyl(3-sulfonatobenzyl)amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl}amino)benzenesulfonate",CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(Cl)n6)cc5S(=O)(=O)[O-])cc4[n+](c7ccc(OC)c(c7)S(=O)(=O)[O-])c3c2,CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(Cl)n6)cc5S(=O)(=O)[O-])cc4[n+](c7ccc(OC)c(c7)S(=O)(=O)[O-])c3c2,"InChI=1/C37H30Cl2N8O10S3/c1-3-46(20-21-5-4-6-26(15-21)58(48,49)50)24-9-13-28-31(18-24)47(25-10-14-32(57-2)34(19-25)60(54,55)56)30-16-22(7-11-27(30)42-28)40-29-12-8-23(17-33(29)59(51,52)53)41-37-44-35(38)43-36(39)45-37/h4-19H,3,20H2,1-2H3,(H4,41,42,43,44,45,48,49,50,51,52,53,54,55,56)/p-2",C37H30Cl2N8O10S3,,,,,,ALKRMTFICZQUIM-UHFFFAOYSA-L,,,,,,,,,,,
100.054.361,259-816-2,55779-17-4,"(1a,5a,17ß)-17-hydroxy-1-methylandrostan-3-one 3-(cyclopentyl)propionate",1-methyl-3-oxoandrostan-17-yl 3-cyclopentylpropanoate,C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](OC(=O)CCC5CCCC5)[C@@]4(C)CC[C@@H]3[C@@]12C,C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](OC(=O)CCC5CCCC5)[C@@]4(C)CC[C@@H]3[C@@]12C,"InChI=1/C28H44O3/c1-18-16-21(29)17-20-9-10-22-23-11-12-25(27(23,2)15-14-24(22)28(18,20)3)31-26(30)13-8-19-6-4-5-7-19/h18-20,22-25H,4-17H2,1-3H3",C28H44O3,,,,,,FBGHXXFATQRKKD-HHWAAIEOSA-N,,,,,,,,,,,
100.054.366,259-822-5,55798-23-7,"9-[(5-chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3,4,4a,9,9a-hexahydro-1H-carbazolium chloride","9-[2-(5-chloro-1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2,3,4,4a,9,9a-hexahydro-1H-carbazolium chloride",[Cl-].Clc1cc5c(cc1)N(C)C(=CC=[N+]4c2ccccc2C3CCCCC34)C5(C)C,[Cl-].Clc1cc5c(cc1)N(C)C(=CC=[N+]4c2ccccc2C3CCCCC34)C5(C)C,"InChI=1/C25H28ClN2.ClH/c1-25(2)20-16-17(26)12-13-23(20)27(3)24(25)14-15-28-21-10-6-4-8-18(21)19-9-5-7-11-22(19)28;/h4,6,8,10,12-16,19,22H,5,7,9,11H2,1-3H3;1H/q+1;/p-1",C25H28ClN2.Cl,,,,,,OCTNBGGOFXPRLI-UHFFFAOYSA-M,,,,,,,,,,,
100.054.369,259-825-1,55804-66-5,"Ethyl 2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate","ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate",CCOC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,CCOC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,"InChI=1/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3",C18H19NO4,,,,,,VMJKUPWQKZFFCX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.373,259-829-3,55804-98-3,"1,1-dimethyl-1-(pentafluorophenyl)silylamine","1,1-dimethyl-1-(pentafluorophenyl)silanamine",C[Si](C)(N)c1c(F)c(F)c(F)c(F)c1F,C[Si](C)(N)c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C8H8F5NSi/c1-15(2,14)8-6(12)4(10)3(9)5(11)7(8)13/h14H2,1-2H3",C8H8F5NSi,,,,,,HFZOKRDZQKIDGD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.502,259-972-1,56057-94-4,"3,5-diethyl-2-methylpyridine","3,5-diethyl-2-methylpyridine",CCc1cnc(C)c(CC)c1,CCc1cnc(C)c(CC)c1,"InChI=1/C10H15N/c1-4-9-6-10(5-2)8(3)11-7-9/h6-7H,4-5H2,1-3H3",C10H15N,,,,,,WASCMEVCLVQFDN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.312,252-059-9,34487-86-0,"4-[(4-hydroxyphenyl)methyl]oxazolidine-2,5-dione","4-(4-hydroxybenzyl)-1,3-oxazolidine-2,5-dione",Oc1ccc(CC2NC(=O)OC2=O)cc1,Oc1ccc(CC2NC(=O)OC2=O)cc1,"InChI=1/C10H9NO4/c12-7-3-1-6(2-4-7)5-8-9(13)15-10(14)11-8/h1-4,8,12H,5H2,(H,11,14)",C10H9NO4,,,,,,HOEAPYNDVBABMC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.908,238-416-1,14440-47-2,(4-chloro-2-formylphenoxy)acetic acid,(4-chloro-2-formylphenoxy)acetic acid,OC(=O)COc1ccc(Cl)cc1C=O,OC(=O)COc1ccc(Cl)cc1C=O,"InChI=1/C9H7ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)",C9H7ClO4,,,,,,VXVIICNFYDEOJG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.909,238-417-7,14440-78-9,"Bicyclo[2.2.1]heptane-2,3-diol","bicyclo[2.2.1]heptane-2,3-diol",OC1C2CCC(C2)C1O,OC1C2CCC(C2)C1O,"InChI=1/C7H12O2/c8-6-4-1-2-5(3-4)7(6)9/h4-9H,1-3H2",C7H12O2,,,,,,HNMVZUWXQLASRL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.910,238-418-2,14440-80-3,2-(1-carboxyethoxy)-1-methyl-2-oxoethyl stearate,2-{[2-(stearoyloxy)propanoyl]oxy}propanoic acid,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O,"InChI=1/C24H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27/h20-21H,4-19H2,1-3H3,(H,26,27)",C24H44O6,,,,,,KHICUSAUSRBPJT-UHFFFAOYSA-N,,,,,,,,,,,
100.034.913,238-421-9,14444-77-0,(diethoxymethoxy)benzene,(diethoxymethoxy)benzene,CCOC(OCC)Oc1ccccc1,CCOC(OCC)Oc1ccccc1,"InChI=1/C11H16O3/c1-3-12-11(13-4-2)14-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3",C11H16O3,,,,,,QTURWMMVIIBRRP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.915,238-424-5,14447-15-5,Propyl cyanoacetate,propyl cyanoacetate,CCCOC(=O)CC#N,CCCOC(=O)CC#N,"InChI=1/C6H9NO2/c1-2-5-9-6(8)3-4-7/h2-3,5H2,1H3",C6H9NO2,,,,,,NLFIMXLLXGTDME-UHFFFAOYSA-N,,,,,,,,,,,
100.034.920,238-429-2,14449-97-9,"1-amino-4-(2,4-dinitroanilino)anthraquinone","1-amino-4-[(2,4-dinitrophenyl)amino]-9,10-anthraquinone",Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3C(=O)c4ccccc4C(=O)c13,Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H12N4O6/c21-13-6-8-15(22-14-7-5-10(23(27)28)9-16(14)24(29)30)18-17(13)19(25)11-3-1-2-4-12(11)20(18)26/h1-9,22H,21H2",C20H12N4O6,,,,,,WYDBWQFSXBDNFU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.931,238-441-8,14455-34-6,"Naphthalene-1,5-disulphonic acid, sodium salt",sodium 5-sulfonaphthalene-1-sulfonate,[Na+].OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-],[Na+].OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+1/p-1",C10H8O6S2.xNa,,,,,,KUCYYPJWOURRRA-UHFFFAOYSA-M,,,,,,,,,,,
100.034.940,238-451-2,14459-60-0,Potassium antimonate,tripotassium antimonate,[K+].[K+].[K+].[O-][Sb](=O)([O-])[O-],[K+].[K+].[K+].[O-][Sb](=O)([O-])[O-],"InChI=1/3K.4O.Sb/q3*+1;;3*-1;/r3K.O4Sb/c;;;1-5(2,3)4/q3*+1;-3",K.O3Sb,,,,,,AWOOGFBTUXQKPK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.943,238-454-9,14464-29-0,"1-(acetoxy)pyrrolidine-2,5-dione","1-acetoxypyrrolidine-2,5-dione",CC(=O)ON1C(=O)CCC1=O,CC(=O)ON1C(=O)CCC1=O,"InChI=1/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3H2,1H3",C6H7NO4,,,,,,SIFCHNIAAPMMKG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.946,238-458-0,14466-01-4,Lead acrylate,lead(4+) tetraacrylate,[Pb].C=CC(O)=O,[Pb].C=CC(O)=O,"InChI=1/C3H4O2.Pb.2H/c1-2-3(4)5;;;/h2H,1H2,(H,4,5);;;/q;+4;;/rC3H4O2.H2Pb/c1-2-3(4)5;/h2H,1H2,(H,4,5);1H2/q;+4",C3H4O2.xPb,,,,,,HALXZLZYPIVRNL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.947,238-459-6,14466-50-3,"2-heptadecyl-2-oxazoline-4,4-dimethanol","(2-heptadecyl-4,5-dihydro-1,3-oxazole-4,4-diyl)dimethanol",CCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1,CCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1,"InChI=1/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h24-25H,2-20H2,1H3",C22H43NO3,,,,,,FFJWPXULECNYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.034.948,238-460-1,14466-51-4,2-heptadecyl-4-methyl-2-oxazoline-4-methanol,"(2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCCCCCCCCCCCC1=NC(C)(CO)CO1,CCCCCCCCCCCCCCCCCC1=NC(C)(CO)CO1,"InChI=1/C22H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23-22(2,19-24)20-25-21/h24H,3-20H2,1-2H3",C22H43NO2,,,,,,RSDFPCQESXIWFY-UHFFFAOYSA-N,,,,,,,,,,,
100.034.950,238-462-2,14470-12-3,4-bromovaleronitrile,4-bromopentanenitrile,CC(Br)CCC#N,CC(Br)CCC#N,"InChI=1/C5H8BrN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3",C5H8BrN,,,,,,HCHUIWDKAUWPJE-UHFFFAOYSA-N,,,,,,,,,,,
100.037.424,241-182-3,17119-15-2,3-hydroxyphenylglycolic acid,hydroxy(3-hydroxyphenyl)acetic acid,OC(C(=O)O)c1cccc(O)c1,OC(C(=O)O)c1cccc(O)c1,"InChI=1/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)",C8H8O4,,,,,,OLSDAJRAVOVKLG-UHFFFAOYSA-N,,,,,,,,,,,
100.037.425,241-183-9,17119-22-1,"N-[4-diazo-2-[[(2,5-xylyl)amino]sulphonyl]cyclohexa-2,5-dien-1-ylidene]-p-toluenesulphonamide","N-{2-[(2,5-dimethylphenyl)sulfamoyl]-4-hydrazonocyclohexa-2,5-dien-1-ylidene}-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)N=C2C=CC(=NN)C=C2S(=O)(=O)Nc3cc(C)ccc3C,Cc1ccc(cc1)S(=O)(=O)N=C2C=CC(=NN)C=C2S(=O)(=O)Nc3cc(C)ccc3C,"InChI=1/C21H22N4O4S2/c1-14-5-9-18(10-6-14)30(26,27)24-19-11-8-17(23-22)13-21(19)31(28,29)25-20-12-15(2)4-7-16(20)3/h4-13,25H,22H2,1-3H3",C21H20N4O4S2,,,,,,YUPKRXSJLVIXDU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.433,241-192-8,17131-52-1,"3-(4-methoxyphenoxy)propane-1,2-diol","3-(4-methoxyphenoxy)propane-1,2-diol",COc1ccc(OCC(O)CO)cc1,COc1ccc(OCC(O)CO)cc1,"InChI=1/C10H14O4/c1-13-9-2-4-10(5-3-9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3",C10H14O4,,,,,,UWZDUHTYIUMENV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.374,252-127-8,34649-59-7,[(p-dodecylphenoxy)methyl]oxirane,2-[(4-dodecylphenoxy)methyl]oxirane,CCCCCCCCCCCCc1ccc(OCC2CO2)cc1,CCCCCCCCCCCCc1ccc(OCC2CO2)cc1,"InChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)22-17-21-18-23-21/h13-16,21H,2-12,17-18H2,1H3",C21H34O2,,,,,,MSWONMWDQHSVIY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.381,252-135-1,34664-50-1,Diphenyl(2-phosphinoethyl)phosphine,diphenyl(2-phosphinoethyl)phosphine,PCCP(c1ccccc1)c2ccccc2,PCCP(c1ccccc1)c2ccccc2,"InChI=1/C14H16P2/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,15H2",C14H16P2,,,,,,XWJKRFKGNPZFPE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.384,252-138-8,34681-09-9,3-(methylthio)butan-2-one oxime,3-(methylsulfanyl)butan-2-one oxime,CC(=NO)C(C)SC,CC(=NO)C(C)SC,"InChI=1/C5H11NOS/c1-4(6-7)5(2)8-3/h5,7H,1-3H3",C5H11NOS,,,,,,WDQAHRJGGIAFLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.386,252-140-9,34681-23-7,Butoxycarboxim,butoxycarboxim,O=C(ON=C(C)C(C)S(=O)(=O)C)NC,O=C(ON=C(C)C(C)S(=O)(=O)C)NC,"InChI=1/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)",C7H14N2O4S,,,,,,CTJBHIROCMPUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.393,252-148-2,34686-71-0,Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one,6-pent-2-en-1-yltetrahydro-2H-pyran-2-one,O=C1CCCC(CC=CCC)O1,O=C1CCCC(CC=CCC)O1,"InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3",C10H16O2,,,,,,XPPALVZZCMPTIV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.394,252-149-8,34687-42-8,"3,7-dimethyl-3-vinyloct-6-enal","3,7-dimethyl-3-vinyloct-6-enal",CC(=CCCC(C)(CC=O)C=C)C,CC(=CCCC(C)(CC=O)C=C)C,"InChI=1/C12H20O/c1-5-12(4,9-10-13)8-6-7-11(2)3/h5,7,10H,1,6,8-9H2,2-4H3",C12H20O,,,,,,PMJQBPUSPGTQQL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.395,252-150-3,34687-43-9,"3-ethyl-3,7-dimethyloct-6-enal","3-ethyl-3,7-dimethyloct-6-enal",CCC(C)(CCC=C(C)C)CC=O,CCC(C)(CCC=C(C)C)CC=O,"InChI=1/C12H22O/c1-5-12(4,9-10-13)8-6-7-11(2)3/h7,10H,5-6,8-9H2,1-4H3",C12H22O,,,,,,GVQWHUAOSOFGJF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.396,252-151-9,34688-71-6,"2,4,6-trimethylphenylacetonitrile",mesitylacetonitrile,Cc1cc(C)c(CC#N)c(C)c1,Cc1cc(C)c(CC#N)c(C)c1,"InChI=1/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3",C11H13N,,,,,,SDKQOGSGNPGPRN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.596,262-275-5,60520-30-1,"N-[5-[[4-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-2-chlorophenyl]-a-pivaloyl-3-morpholino-1H-1,2,4-triazole-1-acetamide","N-[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-4,4-dimethyl-2-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)-3-oxopentanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3cnc(n3)N4CCOCC4)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3cnc(n3)N4CCOCC4)c2)c(c1)C(C)(C)CC,"InChI=1/C39H55ClN6O5/c1-10-38(6,7)26-14-17-31(28(23-26)39(8,9)11-2)51-20-12-13-32(47)42-27-15-16-29(40)30(24-27)43-35(49)33(34(48)37(3,4)5)46-25-41-36(44-46)45-18-21-50-22-19-45/h14-17,23-25,33H,10-13,18-22H2,1-9H3,(H,42,47)(H,43,49)",C39H55ClN6O5,,,,,,JOLWJJOUIJWCAH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.597,262-276-0,60520-46-9,Sodium N-[2-[bis(carboxymethyl)amino]ethyl]-N-(hydroxymethyl)glycinate,sodium [{2-[bis(carboxymethyl)amino]ethyl}(hydroxymethyl)amino]acetate,[Na+].OCN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-],[Na+].OCN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-],"InChI=1/C9H16N2O7.Na/c12-6-11(5-9(17)18)2-1-10(3-7(13)14)4-8(15)16;/h12H,1-6H2,(H,13,14)(H,15,16)(H,17,18);/q;+1/p-1",C9H16N2O7.xNa,,,,,,IICYWTWAFICKBQ-UHFFFAOYSA-M,,,,,,,,,,,
100.056.599,262-278-1,60523-21-9,"Ethyl 2-methylpenta-3,4-dienoate","ethyl 2-methylpenta-3,4-dienoate",CCOC(=O)C(C)C=C=C,CCOC(=O)C(C)C=C=C,"InChI=1/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3",C8H12O2,,,,,,DDZLNKMWFGDTAX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.601,262-280-2,60526-81-0,"5-(1,1-dimethylheptyl)-1,3-dimethoxybenzene","1-(1,1-dimethylheptyl)-3,5-dimethoxybenzene",CCCCCCC(C)(C)c1cc(OC)cc(OC)c1,CCCCCCC(C)(C)c1cc(OC)cc(OC)c1,"InChI=1/C17H28O2/c1-6-7-8-9-10-17(2,3)14-11-15(18-4)13-16(12-14)19-5/h11-13H,6-10H2,1-5H3",C17H28O2,,,,,,MYYOUJBZUGHFNX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.602,262-281-8,60532-96-9,Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate,disodium 5-(7-carboxylatoheptyl)-2-hexylcyclohex-3-ene-1-carboxylate,[Na+].[Na+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)[O-],[Na+].[Na+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)[O-],"InChI=1/C21H36O4.2Na/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);;/q;2*+1/p-2",C21H36O4.2Na,,,,,,UAQIGVSGAWVUTO-UHFFFAOYSA-L,,,,,,,,,,,
100.056.609,262-289-1,60553-32-4,"1,2,3,6-tetrahydro-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)pyridine","1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,6-tetrahydropyridine",CN1CCC(=CC1)C2(C)OCCO2,CN1CCC(=CC1)C2(C)OCCO2,"InChI=1/C10H17NO2/c1-10(12-7-8-13-10)9-3-5-11(2)6-4-9/h3H,4-8H2,1-2H3",C10H17NO2,,,,,,DXFHTTURPLMPOT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.612,262-292-8,60555-58-0,Phenethyl 5-oxoprolinate,2-phenylethyl 5-oxoprolinate,O=C(OCCc1ccccc1)C2CCC(=O)N2,O=C(OCCc1ccccc1)C2CCC(=O)N2,"InChI=1/C13H15NO3/c15-12-7-6-11(14-12)13(16)17-9-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)",C13H15NO3,,,,,,VYNNRGPBBRKNNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.552,257-826-1,52300-97-7,"1-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]pyrrolidine-2,5-dione","1-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)pyrrolidine-2,5-dione",NCCNCCNCCNCCN1C(=O)CCC1=O,NCCNCCNCCNCCN1C(=O)CCC1=O,"InChI=1/C12H25N5O2/c13-3-4-14-5-6-15-7-8-16-9-10-17-11(18)1-2-12(17)19/h14-16H,1-10,13H2",C12H25N5O2,,,,,,ZPKFXRHWTIVUCU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.553,257-827-7,52301-70-9,"Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-morpholino-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)","hexasodium 2,2'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)imino(6-morpholin-4-yl-1,3,5-triazine-4,2-diyl)imino]}dibenzene-1,4-disulfonate",[Na]OS(=O)(=O)c1ccc(c(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(n5)N7CCOCC7)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])nc(n2)N8CCOCC8)c1)S(=O)(=O)O[Na],[Na]OS(=O)(=O)c1ccc(c(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(n5)N7CCOCC7)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])nc(n2)N8CCOCC8)c1)S(=O)(=O)O[Na],"InChI=1/C40H40N12O20S6.6Na/c53-73(54,55)27-7-9-31(75(59,60)61)29(21-27)43-37-45-35(47-39(49-37)51-11-15-71-16-12-51)41-25-5-3-23(33(19-25)77(65,66)67)1-2-24-4-6-26(20-34(24)78(68,69)70)42-36-46-38(50-40(48-36)52-13-17-72-18-14-52)44-30-22-28(74(56,57)58)8-10-32(30)76(62,63)64;;;;;;/h1-10,19-22H,11-18H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/rC40H34N12Na6O20S6/c53-73-79(59,60)27-7-9-31(81(63,64)75-55)29(21-27)43-37-45-35(47-39(49-37)51-11-15-71-16-12-51)41-25-5-3-23(33(19-25)83(67,68)77-57)1-2-24-4-6-26(20-34(24)84(69,70)78-58)42-36-46-38(50-40(48-36)52-13-17-72-18-14-52)44-30-22-28(80(61,62)74-54)8-10-32(30)82(65,66)76-56/h1-10,19-22H,11-18H2,(H2,41,43,45,47,49)(H2,42,44,46,48,50)",C40H40N12O20S6.6Na,,,,,,AMECABTUOXBYGQ-UHFFFAOYSA-H,,,,,,,,,,,
100.052.565,257-840-8,52314-67-7,"3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride","3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride",CC1(C)C(C=C(Cl)Cl)C1C(=O)Cl,CC1(C)C(C=C(Cl)Cl)C1C(=O)Cl,"InChI=1/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3",C8H9Cl3O,,,,,,CHLAOFANYRDCPD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.568,257-843-4,52315-75-0,N6-(1-oxododecyl)-L-lysine,N~6~-dodecanoyl-L-lysine,CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,"InChI=1/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)",C18H36N2O3,,,,,,GYDYJUYZBRGMCC-INIZCTEOSA-N,,,,,,,,,,,
100.052.572,257-848-1,52320-66-8,2-[(4-chloro-2-nitrophenyl)azo]-N-(4-ethoxyphenyl)-3-oxobutyramide,2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(4-ethoxyphenyl)-3-oxobutanamide,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(OCC)cc1)cc2)[N+]([O-])=O,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(OCC)cc1)cc2)[N+]([O-])=O,"InChI=1/C18H17ClN4O5/c1-3-28-14-7-5-13(6-8-14)20-18(25)17(11(2)24)22-21-15-9-4-12(19)10-16(15)23(26)27/h4-10,17H,3H2,1-2H3,(H,20,25)",C18H17ClN4O5,,,,,,ZCDDNAUHUZEVSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.656,267-842-0,67939-54-2,1-bromo-1-chloropropene,1-bromo-1-chloroprop-1-ene,BrC(Cl)=CC,BrC(Cl)=CC,"InChI=1/C3H4BrCl/c1-2-3(4)5/h2H,1H3",C3H4BrCl,,,,,,XSOMCPNEAAAZNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.658,267-844-1,67939-61-1,4-[methyl[(tridecafluorohexyl)sulphonyl]amino]butyl methacrylate,4-{methyl[(tridecafluorohexyl)sulfonyl]amino}butyl methacrylate,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H16F13NO4S/c1-8(2)9(30)33-7-5-4-6-29(3)34(31,32)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h1,4-7H2,2-3H3",C15H16F13NO4S,,,,,,KKCCHFWHAXJXIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.659,267-845-7,67939-62-2,Cadmium dilinoleate,"cadmium dioctadeca-9,12-dienoate",[Cd+2].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Cd+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H32O2.1/2Cd,,,,,,AFDDMZHIXPLPGI-GRVYQHKQSA-L,,,,,,,,,,,
100.061.668,267-855-1,67939-83-7,Tungsten hexa(cyclononanolate),tungsten hexa(cyclononanolate),[W+2].[W+2].[W+2].[O-]C1CCCCCCCC1.[O-]C2CCCCCCCC2.[O-]C3CCCCCCCC3.[O-]C4CCCCCCCC4.[O-]C5CCCCCCCC5.[O-]C6CCCCCCCC6,[W+2].[W+2].[W+2].[O-]C1CCCCCCCC1.[O-]C2CCCCCCCC2.[O-]C3CCCCCCCC3.[O-]C4CCCCCCCC4.[O-]C5CCCCCCCC5.[O-]C6CCCCCCCC6,"InChI=1/6C9H17O.3W/c6*10-9-7-5-3-1-2-4-6-8-9;;;/h6*9H,1-8H2;;;/q6*-1;3*+2",C9H18O.1/6W,,,,,,KJTIGVCCIQYJCL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.669,267-856-7,67939-84-8,"N,N'-[(5-methyl-2-oxo-1,3-cyclohexanediylidene)bis(methylidyne-4,1-phenylene)]bis(acetamide)","N,N'-[(5-methyl-2-oxocyclohexane-1,3-diylidene)bis(methylylidene-4,1-phenylene)]diacetamide",CC3CC(=Cc1ccc(NC(C)=O)cc1)C(=O)C(=Cc2ccc(NC(C)=O)cc2)C3,CC3CC(=Cc1ccc(NC(C)=O)cc1)C(=O)C(=Cc2ccc(NC(C)=O)cc2)C3,"InChI=1/C25H26N2O3/c1-16-12-21(14-19-4-8-23(9-5-19)26-17(2)28)25(30)22(13-16)15-20-6-10-24(11-7-20)27-18(3)29/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)",C25H26N2O3,,,,,,OXSDDPZXDPLBKP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.672,267-859-3,67939-87-1,"2-[ethyl[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulphonyl]amino]ethyl dihydrogen phosphate",2-{ethyl[(undecafluoropentyl)sulfonyl]amino}ethyl dihydrogen phosphate,OP(O)(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(O)(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H11F11NO6PS/c1-2-21(3-4-27-28(22,23)24)29(25,26)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h2-4H2,1H3,(H2,22,23,24)",C18H19F22N2O8PS2,,,,,,PSNGOBTXZSFMLP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.315,252-063-0,34493-87-3,8-quinolyl acrylate,quinolin-8-yl acrylate,C=CC(=O)Oc1cccc2cccnc12,C=CC(=O)Oc1cccc2cccnc12,"InChI=1/C12H9NO2/c1-2-11(14)15-10-7-3-5-9-6-4-8-13-12(9)10/h2-8H,1H2",C12H9NO2,,,,,,XJCKBNNSMUEHQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.331,252-080-3,34546-57-1,Methyl 5-oxocyclopent-1-ene-1-heptanoate,methyl 7-(5-oxocyclopent-1-en-1-yl)heptanoate,COC(=O)CCCCCCC1=CCCC1=O,COC(=O)CCCCCCC1=CCCC1=O,"InChI=1/C13H20O3/c1-16-13(15)10-5-3-2-4-7-11-8-6-9-12(11)14/h8H,2-7,9-10H2,1H3",C13H20O3,,,,,,KDHIOWQSFJTRQG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.333,252-082-4,34552-83-5,"4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-a,a-diphenylpiperidine-1-butyramide monohydrochloride","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide hydrochloride",Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4,Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4,"InChI=1/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H",C29H33ClN2O2.ClH,,,,,,PGYPOBZJRVSMDS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.337,252-087-1,34560-30-0,"1,1'-iminobis(5-aminoanthraquinone)","1,1'-iminobis(5-amino-9,10-anthraquinone)",Nc1cccc2C(=O)c3c(Nc4cccc5C(=O)c6c(N)cccc6C(=O)c45)cccc3C(=O)c12,Nc1cccc2C(=O)c3c(Nc4cccc5C(=O)c6c(N)cccc6C(=O)c45)cccc3C(=O)c12,"InChI=1/C28H17N3O4/c29-17-9-1-5-13-21(17)25(32)15-7-3-11-19(23(15)27(13)34)31-20-12-4-8-16-24(20)28(35)14-6-2-10-18(30)22(14)26(16)33/h1-12,31H,29-30H2",C28H17N3O4,,,,,,JFWRJKSJBUGSLG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.346,252-097-6,34571-16-9,"1,2,3,4,7,7-hexachloro-5-(tetrabromophenyl)bicyclo[2.2.1]hept-2-ene","1,2,3,4,7,7-hexachloro-5-(2,3,4,5-tetrabromophenyl)bicyclo[2.2.1]hept-2-ene",ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)c3cc(Br)c(Br)c(Br)c3Br,ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)c3cc(Br)c(Br)c(Br)c3Br,"InChI=1/C13H4Br4Cl6/c14-5-1-3(6(15)8(17)7(5)16)4-2-11(20)9(18)10(19)12(4,21)13(11,22)23/h1,4H,2H2",C13H4Br4Cl6,,,,,,PHYHWKJTYWPNCS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.557,262-232-0,60435-31-6,1-methyl-2-[3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide,"1-methyl-2-[3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium iodide",[I-].C[n+]3c4ccccc4ccc3C=CC=C2Sc1ccccc1N2C,[I-].C[n+]3c4ccccc4ccc3C=CC=C2Sc1ccccc1N2C,"InChI=1/C21H19N2S.HI/c1-22-17(15-14-16-8-3-4-10-18(16)22)9-7-13-21-23(2)19-11-5-6-12-20(19)24-21;/h3-15H,1-2H3;1H/q+1;/p-1",C21H19N2S.I,,,,,,IEYXZQFNQJFMOD-UHFFFAOYSA-M,,,,,,,,,,,
100.056.560,262-235-7,60439-42-1,2-[2-(isopropyl)-5-methylphenoxy]ethyl(dimethyl)ammonium chloride,"2-(2-isopropyl-5-methylphenoxy)-N,N-dimethylethanaminium chloride",[Cl-].CC(C)c1ccc(C)cc1OCC[NH+](C)C,[Cl-].CC(C)c1ccc(C)cc1OCC[NH+](C)C,"InChI=1/C14H23NO.ClH/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5;/h6-7,10-11H,8-9H2,1-5H3;1H",C14H23NO.ClH,,,,,,DSCARSRKZPIJDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.571,262-247-2,60468-47-5,Bis(oxiranylmethyl) oxalate,bis(oxiran-2-ylmethyl) oxalate,O=C(OCC1CO1)C(=O)OCC2CO2,O=C(OCC1CO1)C(=O)OCC2CO2,"InChI=1/C8H10O6/c9-7(13-3-5-1-11-5)8(10)14-4-6-2-12-6/h5-6H,1-4H2",C8H10O6,,,,,,UEWVYUPDLTWIHL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.576,262-253-5,60469-70-7,tert-butylamine hydrobromide,2-methylpropan-2-amine hydrobromide,Br.CC(C)(C)N,Br.CC(C)(C)N,"InChI=1/C4H11N.BrH/c1-4(2,3)5;/h5H2,1-3H3;1H",C4H11N.BrH,,,,,,CQKAPARXKPTKBK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.583,262-260-3,60487-81-2,[bis[(3-phenylallyl)oxy]methyl]vinylbenzene,(1-{bis[(3-phenylprop-2-en-1-yl)oxy]methyl}vinyl)benzene,C=C(C(OC\\C=C\\c1ccccc1)OC\\C=C\\c2ccccc2)c3ccccc3,C=C(C(OC\C=C\c1ccccc1)OC\C=C\c2ccccc2)c3ccccc3,"InChI=1/C27H26O2/c1-23(26-19-9-4-10-20-26)27(28-21-11-17-24-13-5-2-6-14-24)29-22-12-18-25-15-7-3-8-16-25/h2-20,27H,1,21-22H2",C27H26O2,,,,,,SEFQOXAMNBWQDZ-JYFOCSDGSA-N,,,,,,,,,,,
100.056.584,262-261-9,60491-95-4,"3-bromo-4,4-dimethyloxazolidin-2-one","3-bromo-4,4-dimethyl-1,3-oxazolidin-2-one",CC1(C)COC(=O)N1Br,CC1(C)COC(=O)N1Br,"InChI=1/C5H8BrNO2/c1-5(2)3-9-4(8)7(5)6/h3H2,1-2H3",C5H8BrNO2,,,,,,UGTLNHLTOZDVCT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.585,262-262-4,60494-17-9,"Dodecyl 5-[[3-(dodecyloxy)-3-oxopropyl]thio]-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate","dodecyl 5-{[3-(dodecyloxy)-3-oxopropyl]sulfanyl}-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosan-1-oate",CCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(SCCC(=O)OCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(SCCC(=O)OCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,"InChI=1/3C15H30O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;1-3-5-7-8-6-4-2;/h3*18H,2-14H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC53H104O6S3Sn/c1-5-9-13-17-21-24-27-30-33-37-44-57-51(54)41-47-60-63(50-40-36-20-16-12-8-4,61-48-42-52(55)58-45-38-34-31-28-25-22-18-14-10-6-2)62-49-43-53(56)59-46-39-35-32-29-26-23-19-15-11-7-3/h5-50H2,1-4H3",C53H104O6S3Sn,,,,,,NBIBJUKXOOTZJI-UHFFFAOYSA-K,,,,,,,,,,,
100.037.439,241-199-6,17140-45-3,3-(3-hydroxypropoxy)propyl salicylate,3-(3-hydroxypropoxy)propyl salicylate,OCCCOCCCOC(=O)c1ccccc1O,OCCCOCCCOC(=O)c1ccccc1O,"InChI=1/C13H18O5/c14-7-3-8-17-9-4-10-18-13(16)11-5-1-2-6-12(11)15/h1-2,5-6,14-15H,3-4,7-10H2",C13H18O5,,,,,,MCMYXBUPCAZMFP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.440,241-201-5,17140-49-7,"5-oxoproline, compound with 2-(diethylamino)ethyl 4-aminobenzoate (1:1)",5-oxoproline - 2-(diethylamino)ethyl 4-aminobenzoate (1:1),CCN(CC)CCOC(=O)c1ccc(N)cc1.OC(=O)C2CCC(=O)N2,CCN(CC)CCOC(=O)c1ccc(N)cc1.OC(=O)C2CCC(=O)N2,"InChI=1/C13H20N2O2.C5H7NO3/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;7-4-2-1-3(6-4)5(8)9/h5-8H,3-4,9-10,14H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C13H20N2O2.C5H7NO3,,,,,,CTURZEPMXLXYMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.441,241-202-0,17140-57-7,"Strychnidin-10-one, compd. with 2,3-dihydroxypropyl dihydrogen phosphate (1:1)","2,3-dihydroxypropyl dihydrogen phosphate - strychnidin-10-one (1:1)",OCC(O)COP(O)(=O)O.O=C1C[C@@H]2OC\\C=C5\\CN3CC[C@]64c7ccccc7N1[C@H]6[C@H]2[C@H]5C[C@H]34,OCC(O)COP(O)(=O)O.O=C1C[C@@H]2OC\C=C5\CN3CC[C@]64c7ccccc7N1[C@H]6[C@H]2[C@H]5C[C@H]34,"InChI=1/C21H22N2O2.C3H9O6P/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;4-1-3(5)2-9-10(6,7)8/h1-5,13,16-17,19-20H,6-11H2;3-5H,1-2H2,(H2,6,7,8)",C21H22N2O2.C3H9O6P,,,,,,ROQNYMQPZHTPCA-ZEYGOCRCSA-N,,,,,,,,,,,
100.037.447,241-208-3,17146-09-7,Chlorodimethyl(3-phenylpropyl)silane,chloro(dimethyl)(3-phenylpropyl)silane,C[Si](C)(Cl)CCCc1ccccc1,C[Si](C)(Cl)CCCc1ccccc1,"InChI=1/C11H17ClSi/c1-13(2,12)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3",C11H17ClSi,,,,,,ASSMBLOISZSMMP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.451,241-213-0,17158-54-2,2-(2-heptadec-1-enyl-2-imidazolin-1-yl)ethanol,"2-(2-heptadec-1-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCCCCCCCCCC=CC1=NCCN1CCO,CCCCCCCCCCCCCCCC=CC1=NCCN1CCO,"InChI=1/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3",C22H42N2O,,,,,,BNGLZYYFFZFNDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.037.461,241-224-0,17174-98-0,o-cyanobenzamide,2-cyanobenzamide,NC(=O)c1ccccc1C#N,NC(=O)c1ccccc1C#N,"InChI=1/C8H6N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H2,10,11)",C8H6N2O,,,,,,STQPCKPKAIRSEL-UHFFFAOYSA-N,,,,,,,,,,,
100.037.294,241-040-0,16966-07-7,"N-benzyloxycarbonyl-O-tert-butyl-L-threonine, compound with dicyclohexylamine",N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonine - N-cyclohexylcyclohexanamine (1:1),CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C16H23NO5.C12H23N/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2",C16H23NO5.C12H23N,,,,,,STGGZKHUOOUVBV-IYWIJXFJSA-N,,,,,,,,,,,
100.037.295,241-041-6,16966-08-8,"N-[(benzyloxy)carbonyl]-3-(tert-butoxy)-L-alanine, compound with dicyclohexylamine (1:1)",N-[(benzyloxy)carbonyl]-O-tert-butyl-L-serine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C15H21NO5.C12H23N/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18);11-13H,1-10H2",C15H21NO5.C12H23N,,,,,,ICMWSONNKQDNLS-YDALLXLXSA-N,,,,,,,,,,,
100.037.313,241-061-5,16982-00-6,"(R)-(+)-p-(1,2,2-trimethylcyclopentyl)toluene","1-methyl-4-(1,2,2-trimethylcyclopentyl)benzene",Cc1ccc(cc1)[C@]2(C)CCCC2(C)C,Cc1ccc(cc1)[C@]2(C)CCCC2(C)C,"InChI=1/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3",C15H22,,,,,,SLKPBCXNFNIJSV-HNNXBMFYSA-N,,,,,,,,,,,
100.037.322,241-070-4,16992-28-2,Dilithium thiosulphate,dilithium thiosulfate,[Li+].[Li+].[O-]S(=O)(=O)[S-],[Li+].[Li+].[O-]S(=O)(=O)[S-],"InChI=1/2Li.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O3S2.2Li,,,,,,GMKDNCQTOAHUQG-UHFFFAOYSA-L,,,,,,,,,,,
100.037.336,241-086-1,17011-78-8,N2-[1-[N-[N-[1-[[[4-(phenylazo)phenyl]methoxy]carbonyl]-L-prolyl]-L-leucyl]glycyl]-L-prolyl]-D-arginine,1-({[4-(phenyldiazenyl)benzyl]oxy}carbonyl)-L-prolyl-L-leucylglycyl-L-prolyl-D-arginine,O=C(N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(O)=O)[C@@H]4CCCN4C(=O)OCc3ccc(N=Nc2ccccc2)cc3,O=C(N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(O)=O)[C@@H]4CCCN4C(=O)OCc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C38H52N10O8/c1-24(2)21-29(33(50)42-22-32(49)47-19-7-12-30(47)34(51)43-28(36(53)54)11-6-18-41-37(39)40)44-35(52)31-13-8-20-48(31)38(55)56-23-25-14-16-27(17-15-25)46-45-26-9-4-3-5-10-26/h3-5,9-10,14-17,24,28-31H,6-8,11-13,18-23H2,1-2H3,(H,42,50)(H,43,51)(H,44,52)(H,53,54)(H4,39,40,41)",C38H52N10O8,,,,,,WLJYNHBZKOQNNI-BHSUFKTOSA-N,,,,,,,,,,,
100.054.641,260-124-8,56358-09-9,N-(2-ethylhexyl)-1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]naphthalen-1-amine,"N-(2-ethylhexyl)-1-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)-1,2-dihydronaphthalen-1-amine",Cc4ccccc4N=Nc3ccc(N=NC2(C\\C=C/c1ccccc12)NCC(CC)CCCC)c(C)c3,Cc4ccccc4N=Nc3ccc(N=NC2(C\C=C/c1ccccc12)NCC(CC)CCCC)c(C)c3,"InChI=1/C32H39N5/c1-5-7-14-26(6-2)23-33-32(21-12-16-27-15-9-10-17-29(27)32)37-36-31-20-19-28(22-25(31)4)34-35-30-18-11-8-13-24(30)3/h8-13,15-20,22,26,33H,5-7,14,21,23H2,1-4H3",C32H37N5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10253,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.641,FLVXBOXCODOFIR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.253,264-098-9,63321-70-0,2-ethylhexyl octanoate,2-ethylhexyl octanoate,CCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3",C16H32O2,,,,,,HPUAIVNIHNEYPO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.259,264-105-5,63340-28-3,(1-methyl-1-phenylethyl)phenyl nonylphenyl phenyl phosphate,2-(1-methyl-1-phenylethyl)phenyl 2-nonylphenyl phenyl phosphate,CCCCCCCCCc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3C(C)(C)c4ccccc4,CCCCCCCCCc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3C(C)(C)c4ccccc4,"InChI=1/C36H43O4P/c1-4-5-6-7-8-9-12-21-30-22-17-19-28-34(30)39-41(37,38-32-25-15-11-16-26-32)40-35-29-20-18-27-33(35)36(2,3)31-23-13-10-14-24-31/h10-11,13-20,22-29H,4-9,12,21H2,1-3H3",C36H43O4P,,,,,,KEQZPINZLHHONN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.172,266-210-1,66169-93-5,"(pentane-2,4-dionato-O,O')rubidium","pentane-2,4-dione",CC(=O)CC(=O)C,CC(=O)CC(=O)C,"InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",C5H7O2.Rb,,,,,,YRKCREAYFQTBPV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.177,266-215-9,66172-78-9,"20-(dinonylphenoxy)-3,6,9,12,15,18-hexaoxaicosyl dihydrogen phosphate","20-(2,3-dinonylphenoxy)-3,6,9,12,15,18-hexaoxaicos-1-yl dihydrogen phosphate",CCCCCCCCCc1cccc(OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O)c1CCCCCCCCC,CCCCCCCCCc1cccc(OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O)c1CCCCCCCCC,"InChI=1/C38H71O11P/c1-3-5-7-9-11-13-15-18-36-19-17-21-38(37(36)20-16-14-12-10-8-6-4-2)48-34-32-46-30-28-44-26-24-42-22-23-43-25-27-45-29-31-47-33-35-49-50(39,40)41/h17,19,21H,3-16,18,20,22-35H2,1-2H3,(H2,39,40,41)",C38H71O11P,,,,,,AHXFDFODJXPCOA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.179,266-218-5,66172-82-5,"26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl hydrogen phosphate","26-(2-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl hydrogen phosphate",CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)[O-],CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)[O-],"InChI=1/C33H61O13P/c1-2-3-4-5-6-7-8-11-32-12-9-10-13-33(32)45-30-28-43-26-24-41-22-20-39-18-16-37-14-15-38-17-19-40-21-23-42-25-27-44-29-31-46-47(34,35)36/h9-10,12-13H,2-8,11,14-31H2,1H3,(H2,34,35,36)/p-1",C66H119O22P,,,,,,FVWKLGOINOMUFC-UHFFFAOYSA-M,,,,,,,,,,,
100.060.191,266-231-6,66197-78-2,"26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl dihydrogen phosphate","26-(2-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl dihydrogen phosphate",CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O,CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O,"InChI=1/C33H61O13P/c1-2-3-4-5-6-7-8-11-32-12-9-10-13-33(32)45-30-28-43-26-24-41-22-20-39-18-16-37-14-15-38-17-19-40-21-23-42-25-27-44-29-31-46-47(34,35)36/h9-10,12-13H,2-8,11,14-31H2,1H3,(H2,34,35,36)",C33H61O13P,,,,,,FVWKLGOINOMUFC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.196,266-236-3,66208-42-2,"Octahydro-5-hydroxy-4,7-methano-1H-indenecarboxylic acid","5-hydroxyoctahydro-1H-4,7-methanoindene-1-carboxylic acid",OC1CC2CC1C3CCC(C23)C(=O)O,OC1CC2CC1C3CCC(C23)C(=O)O,"InChI=1/C11H16O3/c12-9-4-5-3-8(9)6-1-2-7(10(5)6)11(13)14/h5-10,12H,1-4H2,(H,13,14)",C11H16O3,,,,,,FORIVXAMKGSSHE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.200,266-241-0,66214-40-2,7-[[2-hydroxy-5-[(4-hydroxyphenyl)sulphonyl]phenyl]methyl]naphthalene-2-sulphonic acid,7-{2-hydroxy-5-[(4-hydroxyphenyl)sulfonyl]benzyl}naphthalene-2-sulfonic acid,Oc1ccc(cc1)S(=O)(=O)c2ccc(O)c(Cc3ccc4ccc(cc4c3)S(=O)(=O)O)c2,Oc1ccc(cc1)S(=O)(=O)c2ccc(O)c(Cc3ccc4ccc(cc4c3)S(=O)(=O)O)c2,"InChI=1/C23H18O7S2/c24-19-4-7-20(8-5-19)31(26,27)21-9-10-23(25)18(14-21)12-15-1-2-16-3-6-22(32(28,29)30)13-17(16)11-15/h1-11,13-14,24-25H,12H2,(H,28,29,30)",C23H18O7S2,,,,,,PZNUDBAENICMJW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.203,266-244-7,66214-45-7,"2-(2,5-dichlorophenyl)-2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-3H-pyrazol-3-one","2-(2,5-dichlorophenyl)-4-[(2-methoxyphenyl)diazenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one",COc3ccccc3N=NC2C(\\C)=N/N(c1cc(Cl)ccc1Cl)C2=O,COc3ccccc3N=NC2C(\C)=N/N(c1cc(Cl)ccc1Cl)C2=O,"InChI=1/C17H14Cl2N4O2/c1-10-16(21-20-13-5-3-4-6-15(13)25-2)17(24)23(22-10)14-9-11(18)7-8-12(14)19/h3-9,16H,1-2H3",C17H14Cl2N4O2,,,,,,VDMPWAVIRNDZSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.554,260-029-1,56177-80-1,2-ethoxy-5-fluoro-1H-pyrimidin-4-one,2-ethoxy-5-fluoropyrimidin-4(1H)-one,CCOC1=NC(=O)C(=CN1)F,CCOC1=NC(=O)C(=CN1)F,"InChI=1/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)",C6H7FN2O2,,,,,,XREDGJFKPWBNRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.556,260-031-2,56181-61-4,"4-(1-bromo-2-phenylethyl)-1,1'-biphenyl",4-(1-bromo-2-phenylethyl)biphenyl,BrC(Cc1ccccc1)c2ccc(cc2)c3ccccc3,BrC(Cc1ccccc1)c2ccc(cc2)c3ccccc3,"InChI=1/C20H17Br/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2",C20H17Br,,,,,,DGJADIBNFSHTMY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.559,260-034-9,56181-66-9,"3-[1,1'-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol","3-biphenyl-4-yl-1,2,3,4-tetrahydronaphthalen-1-ol",OC1CC(Cc2ccccc12)c3ccc(cc3)c4ccccc4,OC1CC(Cc2ccccc12)c3ccc(cc3)c4ccccc4,"InChI=1/C22H20O/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20,22-23H,14-15H2",C22H20O,,,,,,YZWIKXHPIWMMIG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.677,267-865-6,67939-92-8,"N,N'-[phosphinicobis(oxyethylene)]bis[N-ethyltridecafluorohexanesulphonamide]",bis(2-{ethyl[(tridecafluorohexyl)sulfonyl]amino}ethyl) hydrogen phosphate,CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H19F26N2O8PS2/c1-3-47(58(51,52)19(43,44)15(33,34)11(25,26)9(21,22)13(29,30)17(37,38)39)5-7-55-57(49,50)56-8-6-48(4-2)59(53,54)20(45,46)16(35,36)12(27,28)10(23,24)14(31,32)18(40,41)42/h3-8H2,1-2H3,(H,49,50)",C20H19F26N2O8PS2,,,,,,UKMBKFIROBWXCF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.678,267-866-1,67939-93-9,Bis[2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl] hydrogen phosphate,bis(2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl) hydrogen phosphate,CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C22H19F30N2O8PS2/c1-3-53(64(57,58)21(49,50)17(39,40)13(31,32)9(23,24)11(27,28)15(35,36)19(43,44)45)5-7-61-63(55,56)62-8-6-54(4-2)65(59,60)22(51,52)18(41,42)14(33,34)10(25,26)12(29,30)16(37,38)20(46,47)48/h3-8H2,1-2H3,(H,55,56)",C22H19F30N2O8PS2,,,,,,YCAARETZDBIMDL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.680,267-868-2,67939-95-1,Trimethyl-3-[[(nonafluorobutyl)sulphonyl]amino]propylammonium iodide,"N,N,N-trimethyl-3-{[(nonafluorobutyl)sulfonyl]amino}propan-1-aminium iodide",[I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H16F9N2O2S.HI/c1-21(2,3)6-4-5-20-24(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17;/h20H,4-6H2,1-3H3;1H/q+1;/p-1",C10H16F9N2O2S.I,,,,,,MSVMTPPQSPGOSK-UHFFFAOYSA-M,,,,,,,,,,,
100.059.385,265-343-2,65059-85-0,Heptadecyldimethylammonium acetate,"N,N-dimethylheptadecan-1-aminium acetate",CCCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],CCCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-],"InChI=1/C19H41N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-2(3)4/h4-19H2,1-3H3;1H3,(H,3,4)",C19H41N.C2H4O2,,,,,,XQTKRVLVKHEJDX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.395,265-354-2,65060-06-2,(2-hydroxyethyl)[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]methyl[2-[(1-oxohexadecyl)oxy]ethyl]ammonium methyl sulphate,2-hydroxy-N-{2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl}-N-methyl-N-[2-(palmitoyloxy)ethyl]ethanaminium methyl sulfate,CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C41H83N2O5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(46)42(33-37-44)32-34-43(3,35-38-45)36-39-48-41(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h44-45H,4-39H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C41H83N2O5.CH3O4S,,,,,,VZESCPLYZMTHBN-UHFFFAOYSA-M,,,,,,,,,,,
100.059.396,265-355-8,65060-08-4,(2-hydroxyethyl)[2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl][2-[(2-hydroxyethyl)[2-(palmitoyloxy)ethyl]amino]ethyl]methylammonium methyl sulphate,2-hydroxy-N-{2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl}-N-(2-{(2-hydroxyethyl)[2-(palmitoyloxy)ethyl]amino}ethyl)-N-methylethanaminium methyl sulfate,CCCCCCCCCCCCCCCC(=O)OCCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCC(=O)OCCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C45H92N3O6.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-44(52)47(35-41-50)33-38-48(3,39-42-51)37-32-46(34-40-49)36-43-54-45(53)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h49-51H,4-43H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C45H92N3O6.CH3O4S,,,,,,CMJLIUNBUANLQU-UHFFFAOYSA-M,,,,,,,,,,,
100.059.398,265-357-9,65060-30-2,"1-methyl-1,4-bis[2-[(1-oxohexadecyl)oxy]ethyl]piperazinium methyl sulphate","1-methyl-1,4-bis[2-(palmitoyloxy)ethyl]piperazin-1-ium methyl sulfate",CCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCC)CC1.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCC)CC1.COS(=O)(=O)[O-],"InChI=1/C41H81N2O4.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(44)46-38-34-42-32-35-43(3,36-33-42)37-39-47-41(45)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-39H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C41H81N2O4.CH3O4S,,,,,,NOOBNDAKYYRZLH-UHFFFAOYSA-M,,,,,,,,,,,
100.059.399,265-358-4,65060-32-4,"1-methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]piperazinium methyl sulphate","1-methyl-1,4-bis[2-(stearoyloxy)ethyl]piperazin-1-ium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CC1.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CC1.COS(=O)(=O)[O-],"InChI=1/C45H89N2O4.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-44(48)50-42-38-46-36-39-47(3,40-37-46)41-43-51-45(49)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-43H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C45H89N2O4.CH3O4S,,,,,,KYLCUILMMLCFFX-UHFFFAOYSA-M,,,,,,,,,,,
100.059.897,265-906-2,65749-35-1,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3-hydroxyphenyl]hexanamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-{[(4-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide",CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(NC(=O)Nc3ccc(cc3)C#N)c(O)c2,CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(NC(=O)Nc3ccc(cc3)C#N)c(O)c2,"InChI=1/C36H46N4O4/c1-8-11-12-32(44-31-20-15-25(35(4,5)9-2)21-28(31)36(6,7)10-3)33(42)38-27-18-19-29(30(41)22-27)40-34(43)39-26-16-13-24(23-37)14-17-26/h13-22,32,41H,8-12H2,1-7H3,(H,38,42)(H2,39,40,43)",C36H46N4O4,,,,,,OSUJLNYIBSFLGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.588,262-266-6,60498-66-0,"Isopropyl 3,3-dimethylbutyrate","isopropyl 3,3-dimethylbutanoate",CC(C)OC(=O)CC(C)(C)C,CC(C)OC(=O)CC(C)(C)C,"InChI=1/C9H18O2/c1-7(2)11-8(10)6-9(3,4)5/h7H,6H2,1-5H3",C9H18O2,,,,,,JSMHPWIYMAUZPU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.590,262-268-7,60501-41-9,(Z)-[(octadec-9-enyloxy)methyl]oxirane,2-[(octadec-9-en-1-yloxy)methyl]oxirane,CCCCCCCC\\C=C/CCCCCCCCOCC1CO1,CCCCCCCC\C=C/CCCCCCCCOCC1CO1,"InChI=1/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21-20-23-21/h9-10,21H,2-8,11-20H2,1H3",C21H40O2,,,,,,DDHJMUWKDMGQFH-KTKRTIGZSA-N,,,,,,,,,,,
100.056.591,262-269-2,60504-00-9,"(3,3,3-trichloroprop-1-enyl)benzene","(3,3,3-trichloroprop-1-en-1-yl)benzene",ClC(Cl)(Cl)C=Cc1ccccc1,ClC(Cl)(Cl)C=Cc1ccccc1,"InChI=1/C9H7Cl3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-7H",C9H7Cl3,,,,,,NUDSHVLUIKPZLF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.594,262-272-9,60508-74-9,Dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate,N-methylmethanaminium 2-(4-chlorophenoxy)-2-methylpropanoate,C[NH2+]C.CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],C[NH2+]C.CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-],"InChI=1/C10H11ClO3.C2H7N/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;1-3-2/h3-6H,1-2H3,(H,12,13);3H,1-2H3",C10H11ClO3.C2H7N,,,,,,AIRJXCHSEKKICL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.137,266-172-6,66137-74-4,"1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulphonyl fluoride","1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride",FC(F)(I)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F,FC(F)(I)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F,"InChI=1/C4F9IO3S/c5-1(6,14)2(7,8)17-3(9,10)4(11,12)18(13,15)16",C4F9IO3S,,,,,,XSLYISNQTJHKMP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.141,266-176-8,66142-16-3,N-(4-amino-5-chloro-2-hydroxyphenyl)benzamide monohydrochloride,N-(4-amino-5-chloro-2-hydroxyphenyl)benzamide hydrochloride,Cl.Nc1cc(O)c(NC(=O)c2ccccc2)cc1Cl,Cl.Nc1cc(O)c(NC(=O)c2ccccc2)cc1Cl,"InChI=1/C13H11ClN2O2.ClH/c14-9-6-11(12(17)7-10(9)15)16-13(18)8-4-2-1-3-5-8;/h1-7,17H,15H2,(H,16,18);1H",C13H11ClN2O2.ClH,,,,,,GJADIVUMAAFRLV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.144,266-179-4,66142-21-0,4-methoxy-2-(4-methoxyphenyl)-1-benzopyrylium methyl sulphate,4-methoxy-2-(4-methoxyphenyl)chromenium methyl sulfate,COc1ccc(cc1)c2cc(OC)c3ccccc3[o+]2.COS(=O)(=O)[O-],COc1ccc(cc1)c2cc(OC)c3ccccc3[o+]2.COS(=O)(=O)[O-],"InChI=1/C17H15O3.CH4O4S/c1-18-13-9-7-12(8-10-13)16-11-17(19-2)14-5-3-4-6-15(14)20-16;1-5-6(2,3)4/h3-11H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C17H15O3.CH3O4S,,,,,,ICMZUJFDLZSYOS-UHFFFAOYSA-M,,,,,,,,,,,
100.060.150,266-186-2,66161-52-2,(Z)-octadec-9-enyl docosanoate,octadec-9-en-1-yl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-39H2,1-2H3",C40H78O2,,,,,,AOXNDJKHXBKZBT-ZZEZOPTASA-N,,,,,,,,,,,
100.060.151,266-187-8,66161-53-3,N-(3-morpholinopropyl)dodecanamide,N-(3-morpholin-4-ylpropyl)dodecanamide,CCCCCCCCCCCC(=O)NCCCN1CCOCC1,CCCCCCCCCCCC(=O)NCCCN1CCOCC1,"InChI=1/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-12-19(22)20-13-11-14-21-15-17-23-18-16-21/h2-18H2,1H3,(H,20,22)",C19H38N2O2,,,,,,QKJRNVLZJXENQW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.158,266-195-1,66161-60-2,"Decyl hydrogen sulphate, compound with 1,1',1''-nitrilotripropan-2-ol","decyl hydrogen sulfate - 1,1',1''-nitrilotripropan-2-ol (1:1)",CCCCCCCCCCOS(=O)(=O)O.CC(O)CN(CC(C)O)CC(C)O,CCCCCCCCCCOS(=O)(=O)O.CC(O)CN(CC(C)O)CC(C)O,"InChI=1/C10H22O4S.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-10H2,1H3,(H,11,12,13);7-9,11-13H,4-6H2,1-3H3",C12H26O4S.C9H21NO3,,,,,,OGWGSSCKFORIGO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.160,266-197-2,66161-62-4,Sodium N-(2-hydroxyethyl)-N-[2-[(1-oxododecyl)amino]ethyl]glycinate,sodium {[2-(dodecanoylamino)ethyl](2-hydroxyethyl)amino}acetate,[Na+].CCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-],[Na+].CCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-],"InChI=1/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)19-12-13-20(14-15-21)16-18(23)24;/h21H,2-16H2,1H3,(H,19,22)(H,23,24);/q;+1/p-1",C18H36N2O4.Na,,,,,,HVFAVOFILADWEZ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.166,266-203-3,66161-68-0,N-[3-[bis(2-hydroxyethyl)amino]propyl]palmitamide N-oxide,"2,2'-({3-[oxido(palmitoyl)amino]propyl}imino)diethanol",CCCCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(CCO)CCO,CCCCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(CCO)CCO,"InChI=1/C23H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23(28)25(29)18-15-17-24(19-21-26)20-22-27/h25-27H,2-22H2,1H3",C23H48N2O4,,,,,,YNKFFAVGNYZWBH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.167,266-204-9,66161-69-1,N-[3-[bis(2-hydroxyethyl)amino]propyl]stearamide N-oxide,"2,2'-({3-[oxido(stearoyl)amino]propyl}imino)diethanol",CCCCCCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(CCO)CCO,"InChI=1/C25H52N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(30)27(31)20-17-19-26(21-23-28)22-24-29/h27-29H,2-24H2,1H3",C25H52N2O4,,,,,,MVKAQWKYTBTJQP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.521,259-993-6,56095-74-0,(Z)-dihexyloct-1-enylaluminium,dihexyl(oct-1-en-1-yl)aluminum,CCCCCC\\C=C/[Al](CCCCCC)CCCCCC,CCCCCC\C=C/[Al](CCCCCC)CCCCCC,"InChI=1/C8H15.2C6H13.Al/c1-3-5-7-8-6-4-2;2*1-3-5-6-4-2;/h1,3H,4-8H2,2H3;2*1,3-6H2,2H3;/rC20H41Al/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h17,20H,4-16,18-19H2,1-3H3",C20H41Al,,,,,,KQDXBDSBTFZXIN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.645,260-129-5,56358-42-0,"N,N'-naphthalene-1,5-diylbis[4-[(3-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide]","N,N'-naphthalene-1,5-diylbis{4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxy-2-naphthamide}",Cc8c(N=Nc6c7ccccc7cc(C(=O)Nc5cccc4c5cccc4NC(=O)c3cc1ccccc1c(N=Nc2cccc(Cl)c2C)c3O)c6O)cccc8Cl,Cc8c(N=Nc6c7ccccc7cc(C(=O)Nc5cccc4c5cccc4NC(=O)c3cc1ccccc1c(N=Nc2cccc(Cl)c2C)c3O)c6O)cccc8Cl,"InChI=1/C46H32Cl2N6O4/c1-25-35(47)17-9-19-37(25)51-53-41-29-13-5-3-11-27(29)23-33(43(41)55)45(57)49-39-21-7-16-32-31(39)15-8-22-40(32)50-46(58)34-24-28-12-4-6-14-30(28)42(44(34)56)54-52-38-20-10-18-36(48)26(38)2/h3-24,55-56H,1-2H3,(H,49,57)(H,50,58)",C46H32Cl2N6O4,,,,,,CDUQTTHCTBEGKX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.647,260-131-6,56361-85-4,1-benzoyl-4-(1H-indol-3-yl)piperidine,3-(1-benzoylpiperidin-4-yl)-1H-indole,O=C(N1CCC(CC1)c2c[nH]c3ccccc23)c4ccccc4,O=C(N1CCC(CC1)c2c[nH]c3ccccc23)c4ccccc4,"InChI=1/C20H20N2O/c23-20(16-6-2-1-3-7-16)22-12-10-15(11-13-22)18-14-21-19-9-5-4-8-17(18)19/h1-9,14-15,21H,10-13H2",C20H20N2O,,,,,,YTURLADWFKSLFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.652,260-136-3,56375-83-8,5-amino-o-xylene-4-sulphonic acid,"2-amino-4,5-dimethylbenzenesulfonic acid",Cc1cc(N)c(cc1C)S(=O)(=O)O,Cc1cc(N)c(cc1C)S(=O)(=O)O,"InChI=1/C8H11NO3S/c1-5-3-7(9)8(4-6(5)2)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)",C8H11NO3S,,,,,,XROQUIUUGKYCQN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.656,260-141-0,56379-05-6,"(N2,N6-diacetyl-L-lysinato-O1,O2)dihydroxyaluminium","aluminum dihydroxide 2,6-diacetamidohexanoate",CC(=O)NCCCCC(NC(=O)C)C(=O)O[Al](O)O,CC(=O)NCCCCC(NC(=O)C)C(=O)O[Al](O)O,"InChI=1/C10H18N2O4.Al.2H2O/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14;;;/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16);;2*1H2/q;+3;;/p-3/rC10H19AlN2O6/c1-7(14)12-6-4-3-5-9(13-8(2)15)10(16)19-11(17)18/h9,17-18H,3-6H2,1-2H3,(H,12,14)(H,13,15)",C10H19AlN2O6,,,,,,JDOLOVXFNSQDIC-UHFFFAOYSA-K,,,,,,,,,,,
100.054.669,260-155-7,56401-97-9,Tetrasodium [(butylimino)bis(methylene)]bisphosphonate,tetrasodium [(butylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.4Na/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4",C6H17NO6P2.4Na,,,,,,OUUDQFHHBQUSSY-UHFFFAOYSA-J,,,,,,,,,,,
100.054.670,260-156-2,56405-32-4,"4-amino-3,6-bis[(4-aminophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-3,6-bis[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(N)cc3)c4O)S(O)(=O)=O,Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(N)cc3)c4O)S(O)(=O)=O,"InChI=1/C22H19N7O7S2/c23-12-1-5-14(6-2-12)26-28-20-16(37(31,32)33)9-11-10-17(38(34,35)36)21(22(30)18(11)19(20)25)29-27-15-7-3-13(24)4-8-15/h1-10,30H,23-25H2,(H,31,32,33)(H,34,35,36)",C22H19N7O7S2,,,,,,MWGYDKYSOKEURI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.675,260-162-5,56409-75-7,Ethyl 2-benzylbenzoylacetate,ethyl 2-benzyl-3-oxo-3-phenylpropanoate,CCOC(=O)C(Cc1ccccc1)C(=O)c2ccccc2,CCOC(=O)C(Cc1ccccc1)C(=O)c2ccccc2,"InChI=1/C18H18O3/c1-2-21-18(20)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3",C18H18O3,,,,,,KSTSKHKQRFGSJH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.951,238-463-8,14470-28-1,p-(chlorodiphenylmethyl)anisole,1-[chloro(diphenyl)methyl]-4-methoxybenzene,COc1ccc(cc1)C(Cl)(c2ccccc2)c3ccccc3,COc1ccc(cc1)C(Cl)(c2ccccc2)c3ccccc3,"InChI=1/C20H17ClO/c1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3",C20H17ClO,,,,,,OBOHMJWDFPBPKD-UHFFFAOYSA-N,,,,,,,,,,,
100.034.953,238-465-9,14472-28-7,Aluminium p-toluenesulphonate,aluminum tris(4-methylbenzenesulfonate),[Al+3].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].Cc3ccc(cc3)S(=O)(=O)[O-],[Al+3].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/3C7H8O3S.Al/c3*1-6-2-4-7(5-3-6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);/q;;;+3/p-3",C7H8O3S.1/3Al,,,,,,WSLZIFLPARLSCL-UHFFFAOYSA-K,,,,,,,,,,,
100.034.954,238-466-4,14473-90-6,(E)-m-chlorocinnamic acid,3-(3-chlorophenyl)acrylic acid,OC(=O)\\C=C\\c1cccc(Cl)c1,OC(=O)\C=C\c1cccc(Cl)c1,"InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)",C9H7ClO2,,,,,,FFKGOJWPSXRALK-SNAWJCMRSA-N,,,,,,,,,,,
100.034.955,238-468-5,14474-00-1,"Lactic acid, compound with (S)-3-(1-methylpyrrolidin-2-yl)pyridine (1:1)",2-hydroxypropanoic acid - 3-(1-methylpyrrolidin-2-yl)pyridine (1:1),CC(O)C(=O)O.CN1CCC[C@H]1c2cccnc2,CC(O)C(=O)O.CN1CCC[C@H]1c2cccnc2,"InChI=1/C10H14N2.C3H6O3/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2(4)3(5)6/h2,4,6,8,10H,3,5,7H2,1H3;2,4H,1H3,(H,5,6)",C10H14N2.C3H6O3,,,,,,VWTHFJXLFGINSW-PPHPATTJSA-N,,,,,,,,,,,
100.034.987,238-502-9,14495-13-7,"Bis(quinolin-8-olato-N1,O8)manganese",manganese(2+) diquinolin-8-olate,O([Mn]Oc1cccc2cccnc12)c3cccc4cccnc34,O([Mn]Oc1cccc2cccnc12)c3cccc4cccnc34,"InChI=1/2C9H7NO.Mn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2",C18H12MnN2O2,,,,,,XNUVVHVFAAQPQY-UHFFFAOYSA-L,,,,,,,,,,,
100.034.988,238-503-4,14495-51-3,2-bromo-5-chlorotoluene,1-bromo-4-chloro-2-methylbenzene,Cc1cc(Cl)ccc1Br,Cc1cc(Cl)ccc1Br,"InChI=1/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3",C7H6BrCl,,,,,,RTIPTGMVQIIMKL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.990,238-506-0,14496-34-5,"N,N-dimethyl-2-furfurylamine","1-(2-furyl)-N,N-dimethylmethanamine",CN(C)Cc1occc1,CN(C)Cc1occc1,"InChI=1/C7H11NO/c1-8(2)6-7-4-3-5-9-7/h3-5H,6H2,1-2H3",C7H11NO,,,,,,VFIAOIVGTFADLM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.575,260-052-7,56207-34-2,"4,4'-[methylenebis(oxy)]bisanisole","1,1'-[methylenebis(oxy)]bis(4-methoxybenzene)",COc1ccc(OCOc2ccc(OC)cc2)cc1,COc1ccc(OCOc2ccc(OC)cc2)cc1,"InChI=1/C15H16O4/c1-16-12-3-7-14(8-4-12)18-11-19-15-9-5-13(17-2)6-10-15/h3-10H,11H2,1-2H3",C15H16O4,,,,,,QFFLBMLWXFZRRN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.585,260-063-7,56218-79-2,(Z)-tetradec-9-enyl formate,tetradec-9-en-1-yl formate,CCCC\\C=C/CCCCCCCCOC=O,CCCC\C=C/CCCCCCCCOC=O,"InChI=1/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h5-6,15H,2-4,7-14H2,1H3",C15H28O2,,,,,,MAOWSVNIDSZOBR-WAYWQWQTSA-N,,,,,,,,,,,
100.054.590,260-068-4,56225-66-2,Cycloocten-1-ol,cyclooct-1-en-1-ol,OC1=CCCCCCC1,OC1=CCCCCCC1,"InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h6,9H,1-5,7H2",C8H14O,,,,,,FBMMEHJLWTZKOR-SOFGYWHQSA-N,,,,,,,,,,,
100.047.402,252-158-7,34698-41-4,Indan-1-ylamine,indan-1-amine,NC1CCc2ccccc12,NC1CCc2ccccc12,"InChI=1/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2",C9H11N,,,,,,XJEVHMGJSYVQBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.403,252-159-2,34701-14-9,4-nitroindan,4-nitroindane,[O-][N+](=O)c1cccc2CCCc12,[O-][N+](=O)c1cccc2CCCc12,"InChI=1/C9H9NO2/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2",C9H9NO2,,,,,,ZQABKMBXKCJTPM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.404,252-160-8,34701-98-9,2-chloro-4'-phenylbenzophenone,biphenyl-4-yl(2-chlorophenyl)methanone,Clc1ccccc1C(=O)c2ccc(cc2)c3ccccc3,Clc1ccccc1C(=O)c2ccc(cc2)c3ccccc3,InChI=1/C19H13ClO/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,C19H13ClO,,,,,,ZSENJSDVZBWPKH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.409,252-166-0,34715-64-5,"1-(3,4-dihydroxyphenyl)-2-[(1,1-dimethylethyl)amino]ethan-1-one hydrochloride","2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone hydrochloride",Cl.CC(C)(C)NCC(=O)c1ccc(O)c(O)c1,Cl.CC(C)(C)NCC(=O)c1ccc(O)c(O)c1,"InChI=1/C12H17NO3.ClH/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;/h4-6,13-15H,7H2,1-3H3;1H",C12H17NO3.ClH,,,,,,JQQYYKZPHGWVCC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.417,252-174-4,34732-09-7,"2,3,4-trichlorobenzenesulphonyl chloride","2,3,4-trichlorobenzenesulfonyl chloride",Clc1ccc(c(Cl)c1Cl)S(=O)(=O)Cl,Clc1ccc(c(Cl)c1Cl)S(=O)(=O)Cl,"InChI=1/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H",C6H2Cl4O2S,,,,,,JDAJYNHGBUXIKS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.422,252-180-7,34743-87-8,2-phenoxyethyl chloroformate,2-phenoxyethyl chlorocarbonate,ClC(=O)OCCOc1ccccc1,ClC(=O)OCCOc1ccccc1,"InChI=1/C9H9ClO3/c10-9(11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2",C9H9ClO3,,,,,,GQGPDDREGSRIRX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.427,252-185-4,34751-25-2,3-acetoxy-24-nor-3ß-chol-5-en-23-oic acid,"3-(3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid (non-preferred name)",C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C25H38O4/c1-15(13-23(27)28)20-7-8-21-19-6-5-17-14-18(29-16(2)26)9-11-24(17,3)22(19)10-12-25(20,21)4/h5,15,18-22H,6-14H2,1-4H3,(H,27,28)",C25H38O4,,,,,,COSNVBYTQXPMFE-NXBNXRBISA-N,,,,,,,,,,,
100.047.429,252-188-0,34753-41-8,"4'-(bromomethyl)-10,11-dihydrospiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolane]","4'-(bromomethyl)-10,11-dihydrospiro[dibenzo[a,d][7]annulene-5,2'-[1,3]dioxolane]",BrCC1COC2(O1)c3ccccc3CCc4ccccc24,BrCC1COC2(O1)c3ccccc3CCc4ccccc24,"InChI=1/C18H17BrO2/c19-11-15-12-20-18(21-15)16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)18/h1-8,15H,9-12H2",C18H17BrO2,,,,,,AUYAOASYSVVYED-UHFFFAOYSA-N,,,,,,,,,,,
100.047.434,252-193-8,34759-29-0,"1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, pentasodium salt","pentasodium 7-({2-(carbamoylamino)-4-[(4-chloro-6-{[5-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]amino}-1,3,5-triazin-2-yl)amino]phenyl}diazenyl)naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc7cc(Nc6nc(Nc5cc(NC(N)=O)c(N=Nc3cc4c(cc(cc4cc3S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)nc(Cl)n6)c(cc7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc7cc(Nc6nc(Nc5cc(NC(N)=O)c(N=Nc3cc4c(cc(cc4cc3S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)nc(Cl)n6)c(cc7)S([O-])(=O)=O,"InChI=1/C35H26Cl2N14O16S5.5Na/c36-29-44-32(39-16-2-1-3-19(10-16)68(53,54)55)48-33(45-29)41-18-5-7-26(70(59,60)61)24(12-18)43-35-47-30(37)46-34(49-35)40-17-4-6-22(23(11-17)42-31(38)52)50-51-25-14-21-15(9-28(25)72(65,66)67)8-20(69(56,57)58)13-27(21)71(62,63)64;;;;;/h1-14H,(H3,38,42,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H2,39,41,44,45,48)(H2,40,43,46,47,49);;;;;/q;5*+1/p-5",C35H26Cl2N14O16S5.5Na,,,,,,CJWGCINWZIYUOA-UHFFFAOYSA-I,,,,,,,,,,,
100.047.435,252-194-3,34759-42-7,"N-[2-[[4-(2,2-dicyanovinyl)-m-tolyl]ethylamino]ethyl]benzamide","N-(2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}ethyl)benzamide",CCN(CCNC(=O)c1ccccc1)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCNC(=O)c1ccccc1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C22H22N4O/c1-3-26(12-11-25-22(27)19-7-5-4-6-8-19)21-10-9-20(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27)",C22H22N4O,,,,,,IXMFXNDPKMTYAI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.898,265-907-8,65749-36-2,"N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxonaphthalene-2-carboxamide","N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-4-({4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl}imino)-1-oxo-1,4-dihydronaphthalene-2-carboxamide",CC(C)(CC)c4ccc(OCCCCNC(=O)C/3=C/C(=Nc1ccc(cc1C)N(CC)CCO)c2ccccc2C\\3=O)c(c4)C(C)(C)CC,CC(C)(CC)c4ccc(OCCCCNC(=O)C/3=C/C(=Nc1ccc(cc1C)N(CC)CCO)c2ccccc2C\3=O)c(c4)C(C)(C)CC,"InChI=1/C42H55N3O4/c1-9-41(5,6)30-18-21-38(35(27-30)42(7,8)10-2)49-25-15-14-22-43-40(48)34-28-37(32-16-12-13-17-33(32)39(34)47)44-36-20-19-31(26-29(36)4)45(11-3)23-24-46/h12-13,16-21,26-28,46H,9-11,14-15,22-25H2,1-8H3,(H,43,48)",C42H55N3O4,,,,,,XGGOANIEEUCIAR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.901,265-910-4,65756-94-7,Magnesium bis(3-hydroxy-2-naphthoate),magnesium bis(3-hydroxy-2-naphthoate),[Mg+2].Oc1cc2ccccc2cc1C(=O)[O-].Oc3cc4ccccc4cc3C(=O)[O-],[Mg+2].Oc1cc2ccccc2cc1C(=O)[O-].Oc3cc4ccccc4cc3C(=O)[O-],"InChI=1/2C11H8O3.Mg/c2*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h2*1-6,12H,(H,13,14);/q;;+2/p-2",C11H8O3.1/2Mg,,,,,,HDGZVUGGOOMFHA-UHFFFAOYSA-L,,,,,,,,,,,
100.059.903,265-913-0,65767-27-3,"3-ethyl-2-[[3-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]benzothiazolium perchlorate","3-ethyl-2-{[3-(3-{3-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-1-en-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]methyl}-1,3-benzothiazol-3-ium perchlorate",[O-]Cl(=O)(=O)=O.CC[n+]5c6ccccc6sc5C=C1\\C=C(/CC(C)(C)C1)C=CC=C2\\C=C(/CC(C)(C)C2)C=C4Sc3ccccc3N4CC,[O-]Cl(=O)(=O)=O.CC[n+]5c6ccccc6sc5C=C1\C=C(/CC(C)(C)C1)C=CC=C2\C=C(/CC(C)(C)C2)C=C4Sc3ccccc3N4CC,"InChI=1/C39H45N2S2.ClHO4/c1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;2-1(3,4)5/h9-23H,7-8,24-27H2,1-6H3;(H,2,3,4,5)/q+1;/p-1",C39H45N2S2.ClO4,,,,,,GSNCVSBBWPKYBF-UHFFFAOYSA-M,,,,,,,,,,,
100.059.904,265-914-6,65767-29-5,"Naphtho[2,1-d]thiazolium, 3-ethyl-2-[[3-[3-[3-[(3-ethylnaphtho[2,1-d]thiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, perchlorate","3-ethyl-2-{[3-(3-{3-[(3-ethylnaphtho[2,1-d][1,3]thiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-1-en-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]methyl}naphtho[2,1-d][1,3]thiazol-3-ium perchlorate",[O-]Cl(=O)(=O)=O.CC[n+]7c8ccc1ccccc1c8sc7C=C2\\C=C(/CC(C)(C)C2)C=CC=C3\\C=C(/CC(C)(C)C3)C=C5Sc4c6ccccc6ccc4N5CC,[O-]Cl(=O)(=O)=O.CC[n+]7c8ccc1ccccc1c8sc7C=C2\C=C(/CC(C)(C)C2)C=CC=C3\C=C(/CC(C)(C)C3)C=C5Sc4c6ccccc6ccc4N5CC,"InChI=1/C47H49N2S2.ClHO4/c1-7-48-40-22-20-36-16-9-11-18-38(36)44(40)50-42(48)26-34-24-32(28-46(3,4)30-34)14-13-15-33-25-35(31-47(5,6)29-33)27-43-49(8-2)41-23-21-37-17-10-12-19-39(37)45(41)51-43;2-1(3,4)5/h9-27H,7-8,28-31H2,1-6H3;(H,2,3,4,5)/q+1;/p-1",C47H49N2S2.ClO4,,,,,,KYCPJTVPVKLRBG-UHFFFAOYSA-M,,,,,,,,,,,
100.059.910,265-920-9,65776-63-8,"N,N'-diethylquinoxaline-2,3-diamine","N,N'-diethylquinoxaline-2,3-diamine",CCNc1nc2ccccc2nc1NCC,CCNc1nc2ccccc2nc1NCC,"InChI=1/C12H16N4/c1-3-13-11-12(14-4-2)16-10-8-6-5-7-9(10)15-11/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)",C12H16N4,,,,,,UYTGGRJPWFSBEV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.914,265-925-6,65781-38-6,3-methylundecanoic acid,3-methylundecanoic acid,CCCCCCCCC(C)CC(=O)O,CCCCCCCCC(C)CC(=O)O,"InChI=1/C12H24O2/c1-3-4-5-6-7-8-9-11(2)10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)",C12H24O2,,,,,,SHTJBHFHMAKAPT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.918,265-929-8,65799-47-5,"[3-(2,3-epoxypropoxy)propyl]dimethoxymethylsilane","[1,1-dimethoxy-4-(oxiran-2-ylmethoxy)butyl]silane",COC([SiH3])(CCCOCC1CO1)OC,COC([SiH3])(CCCOCC1CO1)OC,"InChI=1/C9H20O4Si/c1-10-9(14,11-2)4-3-5-12-6-8-7-13-8/h8H,3-7H2,1-2,14H3",C9H20O4Si,,,,,,HSDLFKCSEMMEKT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.146,267-281-1,67828-62-0,"Ethyl 2,4-dihydroxyphenylacetate","ethyl (2,4-dihydroxyphenyl)acetate",CCOC(=O)Cc1ccc(O)cc1O,CCOC(=O)Cc1ccc(O)cc1O,"InChI=1/C10H12O4/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12/h3-4,6,11-12H,2,5H2,1H3",C10H12O4,,,,,,GADHUKQASVRNQF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.153,267-289-5,67828-70-0,"N-[2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-inden-4-yl]acetamide","N-[2-(3-hydroxyquinolin-2-yl)-1,3-dioxo-2,3-dihydro-1H-inden-4-yl]acetamide",CC(=O)Nc1cccc2C(=O)C(C(=O)c12)c3nc4ccccc4cc3O,CC(=O)Nc1cccc2C(=O)C(C(=O)c12)c3nc4ccccc4cc3O,"InChI=1/C20H14N2O4/c1-10(23)21-14-8-4-6-12-16(14)20(26)17(19(12)25)18-15(24)9-11-5-2-3-7-13(11)22-18/h2-9,17,24H,1H3,(H,21,23)",C20H14N2O4,,,,,,KBAJQUXZEJSWSD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.158,267-294-2,67829-78-1,1-methylpropyl (4-chloro-2-methylphenoxy)acetate,sec-butyl (4-chloro-2-methylphenoxy)acetate,CCC(C)OC(=O)COc1ccc(Cl)cc1C,CCC(C)OC(=O)COc1ccc(Cl)cc1C,"InChI=1/C13H17ClO3/c1-4-10(3)17-13(15)8-16-12-6-5-11(14)7-9(12)2/h5-7,10H,4,8H2,1-3H3",C13H17ClO3,,,,,,LWONKMHYBQQECY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.525,259-997-8,56109-48-9,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium perchlorate,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium perchlorate,CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.[O-]Cl(=O)(=O)=O,CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.[O-]Cl(=O)(=O)=O,"InChI=1/C15H16N3S.ClHO4/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;2-1(3,4)5/h4-9,16H,1-3H3;(H,2,3,4,5)/q+1;/p-1",C15H16N3S.ClO4,,,,,,YSQGHGZCLOKQGG-UHFFFAOYSA-M,,,,,,,,,,,
100.054.536,260-009-2,56136-14-2,"1,4,4a,9a-tetrahydroanthraquinone","1,4,4a,9a-tetrahydroanthracene-9,10-dione",O=C1C2CC=CCC2C(=O)c3ccccc13,O=C1C2CC=CCC2C(=O)c3ccccc13,"InChI=1/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6,11-12H,7-8H2",C14H12O2,,,,,,XPCZSIPRUSOJFO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.537,260-010-8,56136-84-6,"1-(6-nitro-1,3-benzodioxol-5-yl)ethan-1-one","1-(6-nitro-1,3-benzodioxol-5-yl)ethanone",CC(=O)c1cc2OCOc2cc1[N+](=O)[O-],CC(=O)c1cc2OCOc2cc1[N+](=O)[O-],"InChI=1/C9H7NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3H,4H2,1H3",C9H7NO5,,,,,,BQONDGIXVHVIIR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.539,260-012-9,56144-08-2,"Methyl 5-amino-3,5-dideoxy-D-glycero-ß-D-galacto-2-nonulopyranosidonic acid","3-[2-amino-3,5-dihydroxy-6-(methoxymethyl)tetrahydro-2H-pyran-2-yl]-2,3-dihydroxypropanoic acid (non-preferred name)",COCC1OC(N)(C(O)C(O)C(=O)O)C(O)CC1O,COCC1OC(N)(C(O)C(O)C(=O)O)C(O)CC1O,"InChI=1/C10H19NO8/c1-18-3-5-4(12)2-6(13)10(11,19-5)8(15)7(14)9(16)17/h4-8,12-15H,2-3,11H2,1H3,(H,16,17)",C10H19NO8,,,,,,IYHGZZNJIUXINO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.546,260-020-2,56149-07-6,"2,3-dipropionyloxypropyl docosanoate","2,3-bis(propionyloxy)propyl docosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CC,"InChI=1/C31H58O6/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31(34)36-27-28(37-30(33)6-3)26-35-29(32)5-2/h28H,4-27H2,1-3H3",C31H58O6,,,,,,OCYWSQCIAYHRRU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.354,252-105-8,34591-13-4,Ammonium hexadecyl hydrogen phosphate,ammonium hexadecyl hydrogen phosphate,[NH4+].[O-]P(O)(=O)OCCCCCCCCCCCCCCCC,[NH4+].[O-]P(O)(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C16H35O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);1H3",C16H35O4P.H3N,,,,,,HCBUKUOUDQJDIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.360,252-112-6,34613-03-1,[[4-[[2-(2-benzothiazolylthio)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile,"(4-{[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl](ethyl)amino}-2-methylbenzylidene)malononitrile",CCN(CCSc1nc2ccccc2s1)c3ccc(C=C(C#N)C#N)c(C)c3,CCN(CCSc1nc2ccccc2s1)c3ccc(C=C(C#N)C#N)c(C)c3,"InChI=1/C22H20N4S2/c1-3-26(10-11-27-22-25-20-6-4-5-7-21(20)28-22)19-9-8-18(16(2)12-19)13-17(14-23)15-24/h4-9,12-13H,3,10-11H2,1-2H3",C22H20N4S2,,,,,,IOUGHRXCRJHWEF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.363,252-115-2,34619-36-8,"3,3-dichloro-5-hexyldihydrofuran-2(3H)-one","3,3-dichloro-5-hexyldihydrofuran-2(3H)-one",CCCCCCC1CC(Cl)(Cl)C(=O)O1,CCCCCCC1CC(Cl)(Cl)C(=O)O1,"InChI=1/C10H16Cl2O2/c1-2-3-4-5-6-8-7-10(11,12)9(13)14-8/h8H,2-7H2,1H3",C10H16Cl2O2,,,,,,PBHSEXXLSTYNIM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.370,252-123-6,34640-76-1,Bicyclo[2.2.1]hept-2-yl acetate,bicyclo[2.2.1]hept-2-yl acetate,CC(=O)OC1CC2CCC1C2,CC(=O)OC1CC2CCC1C2,"InChI=1/C9H14O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3",C9H14O2,,,,,,YXNICIBZSREEPY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.376,252-129-9,34654-81-4,"6-[(3-chloropropyl)amino]-1,3-dimethyluracil","6-[(3-chloropropyl)amino]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione",CN1C(=O)C=C(NCCCCl)N(C)C1=O,CN1C(=O)C=C(NCCCCl)N(C)C1=O,"InChI=1/C9H14ClN3O2/c1-12-7(11-5-3-4-10)6-8(14)13(2)9(12)15/h6,11H,3-5H2,1-2H3",C9H14ClN3O2,,,,,,RPYBDDBZRQGARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.377,252-130-4,34661-75-1,Urapidil,"6-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione",COc1ccccc1N2CCN(CCCNC3=CC(=O)N(C)C(=O)N3C)CC2,COc1ccccc1N2CCN(CCCNC3=CC(=O)N(C)C(=O)N3C)CC2,"InChI=1/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3",C20H29N5O3,,,,,,ICMGLRUYEQNHPF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.379,252-133-0,34662-32-3,4-chloro-2-nitrobenzonitrile,4-chloro-2-nitrobenzonitrile,[O-][N+](=O)c1cc(Cl)ccc1C#N,[O-][N+](=O)c1cc(Cl)ccc1C#N,InChI=1/C7H3ClN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H,C7H3ClN2O2,,,,,,OZKOAADVLVCNFO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.382,252-136-7,34668-73-0,Morpholinium phosphate (3:1),trimorpholin-4-ium phosphate,[O-]P(=O)([O-])[O-].C1COCC[NH2+]1.C2COCC[NH2+]2.C3COCC[NH2+]3,[O-]P(=O)([O-])[O-].C1COCC[NH2+]1.C2COCC[NH2+]2.C3COCC[NH2+]3,"InChI=1/3C4H9NO.H3O4P/c3*1-3-6-4-2-5-1;1-5(2,3)4/h3*5H,1-4H2;(H3,1,2,3,4)",C4H9NO.1/3H3O4P,,,,,,VFEOWTNBQADBBD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.383,252-137-2,34671-83-5,"2,2'-bipyrimidine","2,2'-bipyrimidine",c1cnc(nc1)c2ncccn2,c1cnc(nc1)c2ncccn2,InChI=1/C8H6N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H,C8H6N4,,,,,,HKOAFLAGUQUJQG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.389,252-144-0,34683-73-3,1-chloro-6-iodohexane,1-chloro-6-iodohexane,ClCCCCCCI,ClCCCCCCI,InChI=1/C6H12ClI/c7-5-3-1-2-4-6-8/h1-6H2,C6H12ClI,,,,,,QTJHNJCILMMRIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.992,238-508-1,14501-64-5,2-hydroxycarbazole-3-carboxylic acid,2-hydroxy-9H-carbazole-3-carboxylic acid,OC(=O)c1cc2c(cc1O)[nH]c3ccccc23,OC(=O)c1cc2c(cc1O)[nH]c3ccccc23,"InChI=1/C13H9NO3/c15-12-6-11-8(5-9(12)13(16)17)7-3-1-2-4-10(7)14-11/h1-6,14-15H,(H,16,17)",C13H9NO3,,,,,,JSCNDCWUFHAJQL-UHFFFAOYSA-N,,,,,,,,,,,
100.034.993,238-509-7,14504-95-1,Aluminium silicate(3:2),aluminium silicate(3:2),[AlH3].[AlH3].[AlH3].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[AlH3].[AlH3].[AlH3].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/3Al.2O3Si.9H/c;;;2*1-4(2)3;;;;;;;;;/q3*+3;2*-2;;;;;;;;;/r3AlH3.2O3Si/c;;;2*1-4(2)3/h3*1H3;;/q3*+3;2*-2,Al.3/2H2O3Si,,,,,,GFJCQMBZPQGQQU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.997,238-513-9,14507-49-4,"13-ethyl-3-methoxygona-2,5(10)-dien-17ß-ol","13-ethyl-3-methoxy-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CC[C@@H]2O,CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CC[C@@H]2O,"InChI=1/C20H30O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-19,21H,3-4,6-12H2,1-2H3",C20H30O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16492,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.997,DKGAZBPXLWEBPI-SLHNCBLASA-N,,,,,,,,,,,
100.034.998,238-514-4,14507-51-8,"13-ethyl-3-methoxy-18,19-dinor-17a-pregna-2,5(10)-dien-20-yn-17-ol","13-ethyl-17-ethynyl-3-methoxy-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CC[C@@]2(O)C#C,CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C22H30O2/c1-4-21-12-10-18-17-9-7-16(24-3)14-15(17)6-8-19(18)20(21)11-13-22(21,23)5-2/h2,7,18-20,23H,4,6,8-14H2,1,3H3",C22H30O2,,,,,,CQXCBGIFQZKDED-AANPDWTMSA-N,,,,,,,,,,,
100.037.469,241-232-4,17192-80-2,"2,5-dimethoxy-4-[(4-methylphenyl)thio]benzenediazonium tetrachlorozincate (2:1)","bis{2,5-dimethoxy-4-[(4-methylphenyl)sulfanyl]benzenediazonium} tetrachlorozincate(2-)",COc1cc([N+]#N)c(OC)cc1Sc2ccc(C)cc2.COc3cc([N+]#N)c(OC)cc3Sc4ccc(C)cc4.Cl[Zn-2](Cl)(Cl)Cl,COc1cc([N+]#N)c(OC)cc1Sc2ccc(C)cc2.COc3cc([N+]#N)c(OC)cc3Sc4ccc(C)cc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C15H15N2O2S.4ClH.Zn/c2*1-10-4-6-11(7-5-10)20-15-9-13(18-2)12(17-16)8-14(15)19-3;;;;;/h2*4-9H,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C15H15N2O2S.Cl4Zn/c2*1-10-4-6-11(7-5-10)20-15-9-13(18-2)12(17-16)8-14(15)19-3;1-5(2,3)4/h2*4-9H,1-3H3;/q2*+1;-2",C15H15N2O2S.1/2Cl4Zn,,,,,,FZCQVHBGIBRCCW-UHFFFAOYSA-J,,,,,,,,,,,
100.037.481,241-246-0,17201-43-3,a-bromo-p-toluonitrile,4-(bromomethyl)benzonitrile,BrCc1ccc(cc1)C#N,BrCc1ccc(cc1)C#N,"InChI=1/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2",C8H6BrN,,,,,,UMLFTCYAQPPZER-UHFFFAOYSA-N,,,,,,,,,,,
100.037.482,241-247-6,17202-41-4,Ammonium nonadecafluorononanesulphonate,"ammonium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonate",[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9HF19O3S.H3N/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31;/h(H,29,30,31);1H3",C9HF19O3S.H3N,,,,,,CCLOSADEZDSARB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.484,241-249-7,17205-71-9,(1S)-1-C-(4-carboxythiazolidin-2-yl)-D-arabinitol,"1-C-(4-carboxy-1,3-thiazolidin-2-yl)-D-arabinitol",OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C1NC(CS1)C(=O)O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C1NC(CS1)C(=O)O,"InChI=1/C9H17NO7S/c11-1-4(12)5(13)6(14)7(15)8-10-3(2-18-8)9(16)17/h3-8,10-15H,1-2H2,(H,16,17)",C9H17NO7S,,,,,,JEPVUMTVFPQKQE-ABJQUXTLSA-N,,,,,,,,,,,
100.037.486,241-251-8,17209-70-0,Ammonium oleyl sulphate,ammonium octadec-9-en-1-yl sulfate,[NH4+].CCCCCCCC\\C=C/CCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCC\C=C/CCCCCCCCOS(=O)(=O)[O-],"InChI=1/C18H36O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);1H3",C18H36O4S.H3N,,,,,,FFZMMILMNFFUCX-KVVVOXFISA-N,,,,,,,,,,,
100.037.487,241-252-3,17209-76-6,"Butyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate","butyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dien-1-oate",O=C(O[Sn](CCCC)(OC(=O)C=CC(=O)OCCCC)CCCC)C=CC(=O)OCCCC,O=C(O[Sn](CCCC)(OC(=O)C=CC(=O)OCCCC)CCCC)C=CC(=O)OCCCC,"InChI=1/2C8H12O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H40O8Sn/c1-5-9-17-29-21(25)13-15-23(27)31-33(19-11-7-3,20-12-8-4)32-24(28)16-14-22(26)30-18-10-6-2/h13-16H,5-12,17-20H2,1-4H3",C24H40O8Sn,,,,,,OZDOQMMXEACZAA-UHFFFAOYSA-L,,,,,,,,,,,
100.037.491,241-257-0,17213-58-0,"3,5-dimethoxybenzamide","3,5-dimethoxybenzamide",COc1cc(OC)cc(c1)C(=O)N,COc1cc(OC)cc(c1)C(=O)N,"InChI=1/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11)",C9H11NO3,,,,,,YTLRWVNYANKXOW-UHFFFAOYSA-N,,,,,,,,,,,
100.037.497,241-263-3,17226-75-4,Khelloside,"(4-methoxy-5-oxo-5H-furo[3,2-g]chromen-7-yl)methyl beta-D-glucopyranoside",COc1c2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Oc2cc4occc14,COc1c2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Oc2cc4occc14,"InChI=1/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3",C19H20O10,,,,,,SJRACCTZSAUMGO-WIMVFMHDSA-N,,,,,,,,,,,
100.047.438,252-198-5,34762-86-2,Tetrakis(hydroxymethyl)phosphonium dihydrogen phosphate,tetrakis(hydroxymethyl)phosphonium dihydrogen phosphate,OC[P+](CO)(CO)CO.[O-]P(=O)([O-])[O-],OC[P+](CO)(CO)CO.[O-]P(=O)([O-])[O-],"InChI=1/C4H12O4P.H3O4P/c5-1-9(2-6,3-7)4-8;1-5(2,3)4/h5-8H,1-4H2;(H3,1,2,3,4)/q+1;/p-3",C4H12O4P.H2O4P,,,,,,VSILTKFIPVZOAK-UHFFFAOYSA-K,,,,,,,,,,,
100.058.266,264-112-3,63368-36-5,[(2-methylphenyl)methyl]triphenylphosphonium chloride,(2-methylbenzyl)(triphenyl)phosphonium chloride,[Cl-].Cc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Cl-].Cc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C26H24P.ClH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1",C26H24P.Cl,,,,,,RDHRQYBAQXBTNT-UHFFFAOYSA-M,,,,,,,,,,,
100.058.271,264-118-6,63393-82-8,"Alcohols, C12-15",tetradecan-1-ol,CCCCCCCCCCCCCCO,CCCCCCCCCCCCCCO,"InChI=1/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",-,,,,,,HLZKNKRTKFSKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.278,264-125-4,63400-11-3,Zinc heptadecanoate,zinc diheptadecanoate,[Zn+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C17H34O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2",C17H34O2.1/2Zn,,,,,,WJECRDPVMSNVCG-UHFFFAOYSA-L,,,,,,,,,,,
100.058.280,264-128-0,63400-64-6,"4-[(5-amino-2-sulphophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-[(5-amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)c3ccc(N)cc3N=NC2\\C(=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)C(O)=O,OS(=O)(=O)c3ccc(N)cc3N=NC2\C(=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)C(O)=O,"InChI=1/C16H13N5O9S2/c17-8-1-6-12(32(28,29)30)11(7-8)18-19-13-14(16(23)24)20-21(15(13)22)9-2-4-10(5-3-9)31(25,26)27/h1-7,13H,17H2,(H,23,24)(H,25,26,27)(H,28,29,30)",C16H13N5O9S2,,,,,,VBYWTDIEYSAZHP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.286,264-134-3,63424-42-0,N-[2-(ß-D-galactopyranosyloxy)-5-nitrophenyl]palmitamide,N-[2-(beta-D-galactopyranosyloxy)-5-nitrophenyl]hexadecanamide,CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[N+](=O)[O-],CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[N+](=O)[O-],"InChI=1/C28H46N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)29-21-18-20(30(36)37)16-17-22(21)38-28-27(35)26(34)25(33)23(19-31)39-28/h16-18,23,25-28,31,33-35H,2-15,19H2,1H3,(H,29,32)",C28H46N2O9,,,,,,VQANZNCUHNPTGV-FWZZJMFBSA-N,,,,,,,,,,,
100.058.291,264-140-6,63429-28-7,"(E)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one","1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one",CCC(=O)\\C=C\\C1=C(C)CCCC1(C)C,CCC(=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3",C14H22O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11156,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.291,LMWNGLDCJDIIBR-CMDGGOBGSA-N,,,,,,,,,,,
100.058.300,264-150-0,63449-39-8,"Paraffin waxes and Hydrocarbon waxes, chloro","1,2,3,4,6,7,10-heptachlorododecane",CCC(Cl)CCC(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CCl,CCC(Cl)CCC(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CCl,"InChI=1/C12H19Cl7/c1-2-7(14)3-4-8(15)9(16)5-10(17)12(19)11(18)6-13/h7-12H,2-6H2,1H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14895,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.300,HPSUPGAVFFFPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.302,264-152-1,63449-48-9,"1-cyclohexyl-3-(2-cyclohexyl-2-methylpropyl)octahydro-1,3-dimethyl-1H-indene","1-cyclohexyl-3-(2-cyclohexyl-2-methylpropyl)-1,3-dimethyloctahydro-1H-indene",CC(C)(CC1(C)CC(C)(C2CCCCC2)C3CCCCC13)C4CCCCC4,CC(C)(CC1(C)CC(C)(C2CCCCC2)C3CCCCC13)C4CCCCC4,"InChI=1/C27H48/c1-25(2,21-13-7-5-8-14-21)19-26(3)20-27(4,22-15-9-6-10-16-22)24-18-12-11-17-23(24)26/h21-24H,5-20H2,1-4H3",C27H48,,,,,,DXYKKANYEKMZIR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.305,264-155-8,63449-68-3,2-naphthyl anthranilate,2-naphthyl 2-aminobenzoate,Nc1ccccc1C(=O)Oc2ccc3ccccc3c2,Nc1ccccc1C(=O)Oc2ccc3ccccc3c2,"InChI=1/C17H13NO2/c18-16-8-4-3-7-15(16)17(19)20-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,18H2",C17H13NO2,,,,,,YJFCKXVXEKHSEC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.212,266-254-1,66214-54-8,"2,2'-[[4-[(4-nitrophenyl)azo]phenyl]imino]bisethyl diacetate","({4-[(4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2,CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2,"InChI=1/C20H22N4O6/c1-15(25)29-13-11-23(12-14-30-16(2)26)19-7-3-17(4-8-19)21-22-18-5-9-20(10-6-18)24(27)28/h3-10H,11-14H2,1-2H3",C20H22N4O6,,,,,,MOZMAXZPHVWRTA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.164,267-301-9,67837-03-0,"2-[[5-(benzoylamino)-9,10-dihydro-9,10-dioxoanthryl]azo]-N,N'-bis(2,3-dichlorophenyl)propanediamide","2-{[5-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]diazenyl}-N,N'-bis(2,3-dichlorophenyl)malonamide",Clc6cccc(NC(=O)C(N=Nc4cccc3C(=O)c2c(cccc2NC(=O)c1ccccc1)C(=O)c34)C(=O)Nc5cccc(Cl)c5Cl)c6Cl,Clc6cccc(NC(=O)C(N=Nc4cccc3C(=O)c2c(cccc2NC(=O)c1ccccc1)C(=O)c34)C(=O)Nc5cccc(Cl)c5Cl)c6Cl,"InChI=1/C36H21Cl4N5O5/c37-21-12-6-16-25(29(21)39)42-35(49)31(36(50)43-26-17-7-13-22(38)30(26)40)45-44-24-15-5-11-20-28(24)33(47)19-10-4-14-23(27(19)32(20)46)41-34(48)18-8-2-1-3-9-18/h1-17,31H,(H,41,48)(H,42,49)(H,43,50)",C36H21Cl4N5O5,,,,,,UYUMJRLBPXJPGE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.170,267-308-7,67845-30-1,8-isopropyl-6-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,8-isopropyl-6-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,CC(C)C1CC2C(CC1C=C2C)C=O,CC(C)C1CC2C(CC1C=C2C)C=O,"InChI=1/C13H20O/c1-8(2)12-6-13-9(3)4-10(12)5-11(13)7-14/h4,7-8,10-13H,5-6H2,1-3H3",C13H20O,,,,,,OWFZJSXGDOTWSH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.179,267-318-1,67845-47-0,Propoxycyclododecane,cyclododecyl propyl ether,CCCOC1CCCCCCCCCCC1,CCCOC1CCCCCCCCCCC1,"InChI=1/C15H30O/c1-2-14-16-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3",C15H30O,,,,,,DZWPQZGRFUZEDL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.181,267-320-2,67845-49-2,"2-benzyl-1,3-dioxepane","2-benzyl-1,3-dioxepane",C(C1OCCCCO1)c2ccccc2,C(C1OCCCCO1)c2ccccc2,"InChI=1/C12H16O2/c1-2-6-11(7-3-1)10-12-13-8-4-5-9-14-12/h1-3,6-7,12H,4-5,8-10H2",C13H18O2,,,,,,FIXAVJPGCQZCRA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.183,267-322-3,67845-51-6,3-(p-isopropylphenyl)-2-methylpropiononitrile,3-(4-isopropylphenyl)-2-methylpropanenitrile,CC(C)c1ccc(CC(C)C#N)cc1,CC(C)c1ccc(CC(C)C#N)cc1,"InChI=1/C13H17N/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11H,8H2,1-3H3",C13H17N,,,,,,MCYOGOKMJRETFY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.327,261-980-5,59906-91-1,"2-(dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran","2-(dimethoxymethyl)-2,5-dimethoxy-2,5-dihydrofuran",COC(OC)C1(OC)OC(OC)C=C1,COC(OC)C1(OC)OC(OC)C=C1,"InChI=1/C9H16O5/c1-10-7-5-6-9(13-4,14-7)8(11-2)12-3/h5-8H,1-4H3",C9H16O5,,,,,,GBNDEYSVQZWALX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.328,261-981-0,59907-12-9,3-bromo-2-fluorotoluene,1-bromo-2-fluoro-3-methylbenzene,Cc1cccc(Br)c1F,Cc1cccc(Br)c1F,"InChI=1/C7H6BrF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3",C7H6BrF,,,,,,LZVNGSFAHGKCDM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.334,261-987-3,59937-28-9,Malotilate,"diisopropyl 1,3-dithiol-2-ylidenemalonate",CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C,CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C,"InChI=1/C12H16O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h5-8H,1-4H3",C12H16O4S2,,,,,,YPIQVCUJEKAZCP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.337,261-991-5,59956-61-5,Butyl tribromoacetate,butyl tribromoacetate,CCCCOC(=O)C(Br)(Br)Br,CCCCOC(=O)C(Br)(Br)Br,"InChI=1/C6H9Br3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3",C6H9Br3O2,,,,,,NZZXSGDOZVVHAM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.341,261-995-7,59960-29-1,Sodium 1-cyclohexyl-5-ethylbarbiturate,"sodium 1-cyclohexyl-5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1C(=O)N=C([O-])N(C2CCCCC2)C1=O,[Na+].CCC1C(=O)N=C([O-])N(C2CCCCC2)C1=O,"InChI=1/C12H18N2O3.Na/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;/h8-9H,2-7H2,1H3,(H,13,15,17);/q;+1/p-1",C12H18N2O3.Na,,,,,,VFTILSBBLXWMQK-UHFFFAOYSA-M,,,,,,,,,,,
100.056.350,262-005-6,59970-93-3,"Disodium hydrogen 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","disodium hydrogen 2-({6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)naphthalene-1,5-disulfonate",[H+].[Na+].[Na+].Nc1nc(nc(Cl)n1)N(C)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[H+].[Na+].[Na+].Nc1nc(nc(Cl)n1)N(C)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C24H18ClN7O10S3.2Na.H2/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29);;;1H/q;3*+1/p-3",C24H18ClN7O10S3.2Na,,,,,,RHCNKYFCCIPCLC-UHFFFAOYSA-L,,,,,,,,,,,
100.056.351,262-006-1,59972-95-1,Phenyl ditetradecyl phosphite,phenyl ditetradecyl phosphite,CCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCC)Oc1ccccc1,CCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCC)Oc1ccccc1,"InChI=1/C34H63O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-35-38(37-34-30-26-25-27-31-34)36-33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31H,3-24,28-29,32-33H2,1-2H3",C34H63O3P,,,,,,TVCOTRALWFHIOO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.356,262-011-9,59986-59-3,(E)-(3-chloro-2-hydroxy-5-nonylphenyl) phenyl ketone oxime,(3-chloro-2-hydroxy-5-nonylphenyl)(phenyl)methanone oxime,CCCCCCCCCc1cc(Cl)c(O)c(c1)C(=NO)c2ccccc2,CCCCCCCCCc1cc(Cl)c(O)c(c1)C(=NO)c2ccccc2,"InChI=1/C22H28ClNO2/c1-2-3-4-5-6-7-9-12-17-15-19(22(25)20(23)16-17)21(24-26)18-13-10-8-11-14-18/h8,10-11,13-16,25-26H,2-7,9,12H2,1H3",C22H28ClNO2,,,,,,FGTCYTZEIKWZRE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.364,262-020-8,60009-98-5,"3,3'-[(2-chloro-1,4-phenylene)dinitrilo]bis[2,3-dihydro-1H-isoindol-1-one]","3,3'-[(2-chloro-1,4-phenylene)dinitrilo]diisoindolin-1-one",O=C5NC(=Nc3ccc(N=C2NC(=O)c1ccccc12)c(Cl)c3)c4ccccc45,O=C5NC(=Nc3ccc(N=C2NC(=O)c1ccccc12)c(Cl)c3)c4ccccc45,"InChI=1/C22H13ClN4O2/c23-17-11-12(24-19-13-5-1-3-7-15(13)21(28)26-19)9-10-18(17)25-20-14-6-2-4-8-16(14)22(29)27-20/h1-11H,(H,24,26,28)(H,25,27,29)",C22H13ClN4O2,,,,,,GWSHBPLYIXCKGG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.606,262-286-5,60544-70-9,Tris(2-hydroxyethyl)ammonium trihydrogen ethylenediaminetetraacetate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium trihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",OCC[NH+](CCO)CCO.[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],OCC[NH+](CCO)CCO.[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.C6H15NO3/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;8-4-1-7(2-5-9)3-6-10/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);8-10H,1-6H2/p-3",C10H16N2O8.C6H15NO3,,,,,,YXSJRZBKSLLIOM-UHFFFAOYSA-K,,,,,,,,,,,
100.056.610,262-290-7,60555-56-8,3-phenylpropyl 5-oxoprolinate,3-phenylpropyl 5-oxoprolinate,O=C(OCCCc1ccccc1)C2CCC(=O)N2,O=C(OCCCc1ccccc1)C2CCC(=O)N2,"InChI=1/C14H17NO3/c16-13-9-8-12(15-13)14(17)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)",C14H17NO3,,,,,,SOIVJGYTVHDYQH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.623,262-305-7,60569-00-8,"Naphtho[2,1-b]thiophene-1-ol","naphtho[2,1-b]thiophene-1-ol",Oc1csc2ccc3ccccc3c12,Oc1csc2ccc3ccccc3c12,"InChI=1/C12H8OS/c13-10-7-14-11-6-5-8-3-1-2-4-9(8)12(10)11/h1-7,13H",C12H8OS,,,,,,BNJIPQODGVBLQG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.251,264-096-8,63316-33-6,"Dipotassium 3,3'-sulphonylbis(benzenesulphonate)","dipotassium 3,3'-sulfonyldibenzenesulfonate",[K+].[K+].[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)c2cccc(c2)S(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)c2cccc(c2)S(=O)(=O)[O-],"InChI=1/C12H10O8S3.2K/c13-21(14,9-3-1-5-11(7-9)22(15,16)17)10-4-2-6-12(8-10)23(18,19)20;;/h1-8H,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2",C12H10O8S3.2K,,,,,,SCIXRAVJLLWCDJ-UHFFFAOYSA-L,,,,,,,,,,,
100.058.252,264-097-3,63316-43-8,Potassium 3-(phenylsulphonyl)benzenesulphonate,potassium 3-(phenylsulfonyl)benzenesulfonate,[K+].[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)c2ccccc2,[K+].[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)c2ccccc2,"InChI=1/C12H10O5S2.K/c13-18(14,10-5-2-1-3-6-10)11-7-4-8-12(9-11)19(15,16)17;/h1-9H,(H,15,16,17);/q;+1/p-1",C12H10O5S2.K,,,,,,HGJYOHAIVZXUML-UHFFFAOYSA-M,,,,,,,,,,,
100.058.258,264-103-4,63339-73-1,Dieuropium trimagnesium dodecanitrate,dieuropium trimagnesium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[Eu+2].[Eu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[Eu+2].[Eu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2Eu.3Mg.12NO3/c;;;;;12*2-1(3)4/q5*+2;12*-1,Eu.6HNO3.3/2Mg,,,,,,QQJWUNGNCRCLQU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.260,264-106-0,63343-23-7,"(E)-1-(1,1-dimethylethoxy)-3,7-dimethylocta-2,6-diene","tert-butyl 3,7-dimethylocta-2,6-dien-1-yl ether",CC(=CCC\\C(=C\\COC(C)(C)C)\\C)C,CC(=CCC\C(=C\COC(C)(C)C)\C)C,"InChI=1/C14H26O/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h8,10H,7,9,11H2,1-6H3",C14H26O,,,,,,OSIVVAJCXDMLCS-JLHYYAGUSA-N,,,,,,,,,,,
100.058.262,264-108-1,63351-73-5,Ammonium 2-[2-[2-[2-(nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl sulphate,ammonium 2-(2-{2-[2-(2-nonylphenoxy)ethoxy]ethoxy}ethoxy)ethyl sulfate,[NH4+].CCCCCCCCCc1ccccc1OCCOCCOCCOCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCc1ccccc1OCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C23H40O8S.H3N/c1-2-3-4-5-6-7-8-11-22-12-9-10-13-23(22)30-20-18-28-16-14-27-15-17-29-19-21-31-32(24,25)26;/h9-10,12-13H,2-8,11,14-21H2,1H3,(H,24,25,26);1H3",C23H40O8S.H3N,,,,,,UQUJKVCCSZABMY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.170,266-208-0,66165-57-9,"4,4'-(isopropylidene)bis[2,6-dibromo-a-(pentabromophenyl)anisole]","1,1'-{propane-2,2-diylbis[(2,6-dibromo-4,1-phenylene)oxymethylene]}bis(pentabromobenzene)",CC(C)(c1cc(Br)c(OCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1)c3cc(Br)c(OCc4c(Br)c(Br)c(Br)c(Br)c4Br)c(Br)c3,CC(C)(c1cc(Br)c(OCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1)c3cc(Br)c(OCc4c(Br)c(Br)c(Br)c(Br)c4Br)c(Br)c3,"InChI=1/C29H14Br14O2/c1-29(2,9-3-13(30)27(14(31)4-9)44-7-11-17(34)21(38)25(42)22(39)18(11)35)10-5-15(32)28(16(33)6-10)45-8-12-19(36)23(40)26(43)24(41)20(12)37/h3-6H,7-8H2,1-2H3",C29H14Br14O2,,,,,,CAGMCUQGHVJVQG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.174,266-212-2,66172-62-1,"2,2,2-trifluoroethyl N-[4-[2-cyano-3-oxo-3-[4-[(propylsulphonyl)amino]phenyl]-1-propenyl]-m-tolyl]-N-ethylglycinate","2,2,2-trifluoroethyl N-[4-(2-cyano-3-oxo-3-{4-[(propylsulfonyl)amino]phenyl}prop-1-en-1-yl)-3-methylphenyl]-N-ethylglycinate",CCN(CC(=O)OCC(F)(F)F)c1cc(C)c(cc1)C=C(C#N)C(=O)c2ccc(NS(=O)(=O)CCC)cc2,CCN(CC(=O)OCC(F)(F)F)c1cc(C)c(cc1)C=C(C#N)C(=O)c2ccc(NS(=O)(=O)CCC)cc2,"InChI=1/C26H28F3N3O5S/c1-4-12-38(35,36)31-22-9-6-19(7-10-22)25(34)21(15-30)14-20-8-11-23(13-18(20)3)32(5-2)16-24(33)37-17-26(27,28)29/h6-11,13-14,31H,4-5,12,16-17H2,1-3H3",C26H28F3N3O5S,,,,,,UBDOGAFJORCNGW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.175,266-213-8,66172-63-2,Isopropyl N-[4-[2-cyano-3-[4-[(methylsulphonyl)amino]phenyl]-3-oxo-1-propenyl]-m-tolyl]-N-[2-(1-methylethoxy)-2-oxoethyl]glycinate,"diisopropyl 2,2'-{[4-(2-cyano-3-{4-[(methylsulfonyl)amino]phenyl}-3-oxoprop-1-en-1-yl)-3-methylphenyl]imino}diacetate",CS(=O)(=O)Nc1ccc(cc1)C(=O)C(C#N)=Cc2ccc(cc2C)N(CC(=O)OC(C)C)CC(=O)OC(C)C,CS(=O)(=O)Nc1ccc(cc1)C(=O)C(C#N)=Cc2ccc(cc2C)N(CC(=O)OC(C)C)CC(=O)OC(C)C,"InChI=1/C28H33N3O7S/c1-18(2)37-26(32)16-31(17-27(33)38-19(3)4)25-12-9-22(20(5)13-25)14-23(15-29)28(34)21-7-10-24(11-8-21)30-39(6,35)36/h7-14,18-19,30H,16-17H2,1-6H3",C28H33N3O7S,,,,,,RPYPDSDGLZSREJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.506,233-571-1,10238-27-4,o-nitrophenyl ß-D-xylopyranoside,2-nitrophenyl beta-D-xylopyranoside,O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@H]1O,O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@H]1O,"InChI=1/C11H13NO7/c13-7-5-18-11(10(15)9(7)14)19-8-4-2-1-3-6(8)12(16)17/h1-4,7,9-11,13-15H,5H2",C11H13NO7,,,,,,YPQCLGUTGDQYNI-DQDDRIPDSA-N,,,,,,,,,,,
100.037.340,241-090-3,17016-43-2,4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl dihydrogen phosphate,"4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl dihydrogen phosphate",CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)(O)O)cc4C,CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)(O)O)cc4C,"InChI=1/C28H31O7P/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33/h7-16,29H,1-6H3,(H2,31,32,33)",C28H31O7P,,,,,,JWBPMLSZYOGYFD-UHFFFAOYSA-N,,,,,,,,,,,
100.037.345,241-096-6,17025-47-7,[(tribromomethyl)sulphonyl]benzene,[(tribromomethyl)sulfonyl]benzene,BrC(Br)(Br)S(=O)(=O)c1ccccc1,BrC(Br)(Br)S(=O)(=O)c1ccccc1,"InChI=1/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H",C7H5Br3O2S,,,,,,DWWMSEANWMWMCB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.347,241-098-7,17026-47-0,Potassium dihexadecyl phosphate,potassium dihexadecyl phosphate,[K+].CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC,[K+].CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC,"InChI=1/C32H67O4P.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-32H2,1-2H3,(H,33,34);/q;+1/p-1",C32H67O4P.K,,,,,,INJCIHHCTBEDST-UHFFFAOYSA-M,,,,,,,,,,,
100.037.348,241-099-2,17026-49-2,"5-chloro-m-xylene-2,a,a'-triol","4-chloro-2,6-bis(hydroxymethyl)phenol",OCc1cc(Cl)cc(CO)c1O,OCc1cc(Cl)cc(CO)c1O,"InChI=1/C8H9ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,10-12H,3-4H2",C8H9ClO3,,,,,,OGMITUYZIACKHB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.356,241-107-4,17036-31-6,"Octyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaicosa-2,9-dienoate","octyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaicosa-2,9-dien-1-oate",CCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCCCCCCCC,CCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCCCCCCCC,"InChI=1/2C12H20O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14;2*1-3-4-2;/h2*8-9H,2-7,10H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H56O8Sn/c1-5-9-13-15-17-19-25-37-29(33)21-23-31(35)39-41(27-11-7-3,28-12-8-4)40-32(36)24-22-30(34)38-26-20-18-16-14-10-6-2/h21-24H,5-20,25-28H2,1-4H3",C32H56O8Sn,,,,,,OSILQYMASGMTIY-WFTKVDHJSA-L,,,,,,,,,,,
100.037.358,241-110-0,17040-79-8,4-[[4-(anilino)phenyl]azo]benzenesulphonic acid,4-[(4-anilinophenyl)diazenyl]benzenesulfonic acid,OS(=O)(=O)c3ccc(N=Nc2ccc(Nc1ccccc1)cc2)cc3,OS(=O)(=O)c3ccc(N=Nc2ccc(Nc1ccccc1)cc2)cc3,"InChI=1/C18H15N3O3S/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H,(H,22,23,24)",C18H15N3O3S,,,,,,LXEMVZAXEIKMOU-UHFFFAOYSA-N,,,,,,,,,,,
100.037.359,241-111-6,17042-16-9,4-methylhexan-3-one,4-methylhexan-3-one,CCC(C)C(=O)CC,CCC(C)C(=O)CC,"InChI=1/C7H14O/c1-4-6(3)7(8)5-2/h6H,4-5H2,1-3H3",C7H14O,,,,,,ULPMRIXXHGUZFA-UHFFFAOYSA-N,,,,,,,,,,,
100.037.362,241-114-2,17046-22-9,Butyl isocyanatoacetate,butyl N-(oxomethylene)glycinate,CCCCOC(=O)CN=C=O,CCCCOC(=O)CN=C=O,"InChI=1/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3",C7H11NO3,,,,,,RMZSOGJUEUFCBK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.364,241-116-3,17055-07-1,"4-methoxy-6-(2-nitro-1-propenyl)-1,3-benzodioxole","4-methoxy-6-(2-nitroprop-1-en-1-yl)-1,3-benzodioxole",[O-][N+](=O)C(C)=Cc1cc2OCOc2c(c1)OC,[O-][N+](=O)C(C)=Cc1cc2OCOc2c(c1)OC,"InChI=1/C11H11NO5/c1-7(12(13)14)3-8-4-9(15-2)11-10(5-8)16-6-17-11/h3-5H,6H2,1-2H3",C11H11NO5,,,,,,URIZGFKLZDNSIH-UHFFFAOYSA-N,,,,,,,,,,,
100.037.365,241-117-9,17057-04-4,"4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoic acid","4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid",OC(=O)c1ccc(cc1)N2C(=O)C=CC2=O,OC(=O)c1ccc(cc1)N2C(=O)C=CC2=O,"InChI=1/C11H7NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-6H,(H,15,16)",C11H7NO4,,,,,,LKUOJDGRNKVVFF-UHFFFAOYSA-N,,,,,,,,,,,
100.037.372,241-125-2,17064-47-0,"2-(4-biphenylyl)-6-phenyl-1,3-benzoxazole","2-biphenyl-4-yl-6-phenyl-1,3-benzoxazole",o1c(nc2ccc(cc12)c3ccccc3)c4ccc(cc4)c5ccccc5,o1c(nc2ccc(cc12)c3ccccc3)c4ccc(cc4)c5ccccc5,InChI=1/C25H17NO/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)25-26-23-16-15-22(17-24(23)27-25)19-9-5-2-6-10-19/h1-17H,C25H17NO,,,,,,WISWLZYHZLVSMO-UHFFFAOYSA-N,,,,,,,,,,,
100.037.373,241-126-8,17064-77-6,N-(2-nitrobenzylidene)aniline,N-(2-nitrobenzylidene)aniline,[O-][N+](=O)c2ccccc2C=Nc1ccccc1,[O-][N+](=O)c2ccccc2C=Nc1ccccc1,InChI=1/C13H10N2O2/c16-15(17)13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-10H,C13H10N2O2,,,,,,BBAZSPGQKPGVIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.213,266-255-7,66214-55-9,"Benzenesulfonic acid, 5-[[4-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-NNO-azoxy]-2-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-",5-nitro-2-[2-(4-{[4-(2-{4-[(4-{2-[4-({4-[2-(4-nitro-2-sulfophenyl)vinyl]phenyl}-ONN-azoxy)-2-sulfophenyl]vinyl}-3-sulfophenyl)-NNO-azoxy]-2-sulfophenyl}vinyl)-3-sulfophenyl]-NNO-azoxy}-2-sulfophenyl)vinyl]benzenesulfonic acid,[O-][N+](=O)c8ccc(C=Cc1ccc(cc1S(O)(=O)=O)[N+](/[O-])=N/c7ccc(C=Cc2ccc(cc2S(O)(=O)=O)[N+](/[O-])=N\\c6ccc(C=Cc5ccc(/N=[N+](\\[O-])c4ccc(C=Cc3ccc(cc3S(O)(=O)=O)[N+]([O-])=O)cc4)cc5S(O)(=O)=O)c(c6)S(O)(=O)=O)c(c7)S(O)(=O)=O)c(c8)S(O)(=O)=O,[O-][N+](=O)c8ccc(C=Cc1ccc(cc1S(O)(=O)=O)[N+](/[O-])=N/c7ccc(C=Cc2ccc(cc2S(O)(=O)=O)[N+](/[O-])=N\c6ccc(C=Cc5ccc(/N=[N+](\[O-])c4ccc(C=Cc3ccc(cc3S(O)(=O)=O)[N+]([O-])=O)cc4)cc5S(O)(=O)=O)c(c6)S(O)(=O)=O)c(c7)S(O)(=O)=O)c(c8)S(O)(=O)=O,"InChI=1/C56H40N8O28S7/c65-60(45-21-2-34(3-22-45)1-4-35-16-25-48(63(68)69)32-55(35)98(87,88)89)57-42-18-11-36(50(27-42)93(72,73)74)5-6-37-12-19-43(28-51(37)94(75,76)77)58-61(66)46-23-14-39(53(30-46)96(81,82)83)8-7-38-13-20-44(29-52(38)95(78,79)80)59-62(67)47-24-15-40(54(31-47)97(84,85)86)9-10-41-17-26-49(64(70)71)33-56(41)99(90,91)92/h1-33H,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)",C56H40N8O28S7,,,,,,JROUDDQTYQOGHL-UJYREWGPSA-N,,,,,,,,,,,
100.060.216,266-258-3,66216-56-6,Allyl [2-(2-oxoimidazolidin-1-yl)ethyl]carbamate,allyl [2-(2-oxoimidazolidin-1-yl)ethyl]carbamate,C=CCOC(=O)NCCN1CCNC1=O,C=CCOC(=O)NCCN1CCNC1=O,"InChI=1/C9H15N3O3/c1-2-7-15-9(14)11-4-6-12-5-3-10-8(12)13/h2H,1,3-7H2,(H,10,13)(H,11,14)",C9H15N3O3,,,,,,PPOUXMSMABGDRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.217,266-259-9,66216-84-0,Dibenzylammonium dibenzyldithiocarbamate,N-benzyl(phenyl)methanaminium dibenzyldithiocarbamate,[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2.C([NH2+]Cc3ccccc3)c4ccccc4,[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2.C([NH2+]Cc3ccccc3)c4ccccc4,"InChI=1/C15H15NS2.C14H15N/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18);1-10,15H,11-12H2",C15H15NS2.C14H15N,,,,,,TVQBOCMFTVVKMG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.225,266-268-8,66230-23-7,"4,4'-methylenebis[2-methyl-N-(1-methylpropylidene)cyclohexylamine]","4,4'-methylenebis[2-methyl-N-(1-methylpropylidene)cyclohexanamine]",CC(CC)=NC1CCC(CC1C)CC2CCC(N=C(C)CC)C(C)C2,CC(CC)=NC1CCC(CC1C)CC2CCC(N=C(C)CC)C(C)C2,"InChI=1/C23H42N2/c1-7-18(5)24-22-11-9-20(13-16(22)3)15-21-10-12-23(17(4)14-21)25-19(6)8-2/h16-17,20-23H,7-15H2,1-6H3",C23H42N2,,,,,,OCBSXMZSRJLIQC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.232,266-276-1,66250-03-1,"1,1,4-trichlorobutane","1,1,4-trichlorobutane",ClCCCC(Cl)Cl,ClCCCC(Cl)Cl,"InChI=1/C4H7Cl3/c5-3-1-2-4(6)7/h4H,1-3H2",C4H7Cl3,,,,,,RDCXWDUHESIPFX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.233,266-277-7,66255-91-2,2-phenylpropyl 2-phenylpropionate,2-phenylpropyl hydratropate,CC(COC(=O)C(C)c1ccccc1)c2ccccc2,CC(COC(=O)C(C)c1ccccc1)c2ccccc2,"InChI=1/C18H20O2/c1-14(16-9-5-3-6-10-16)13-20-18(19)15(2)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3",C18H20O2,,,,,,SZNYOTYMJZKVGV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.234,266-278-2,66256-55-1,Polonium tetranitrate,polonium tetranitrate,[PoH2+2].[PoH2+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[PoH2+2].[PoH2+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/4NO3.2Po.4H/c4*2-1(3)4;;;;;;/q4*-1;2*+2;;;;/r4NO3.2H2Po/c4*2-1(3)4;;/h;;;;2*1H2/q4*-1;2*+2,HNO3.1/4Po,,,,,,FBVRBNMFVACRDG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.240,266-285-0,66264-56-0,1-[4-hydroxy-3-(methylthio)phenyl]ethan-1-one,1-[4-hydroxy-3-(methylsulfanyl)phenyl]ethanone,CSc1cc(ccc1O)C(=O)C,CSc1cc(ccc1O)C(=O)C,"InChI=1/C9H10O2S/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",C9H10O2S,,,,,,YEKMPDIPAODYPH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.243,266-288-7,66264-74-2,4-acetyl-2-(methylthio)phenyl benzoate,4-acetyl-2-(methylsulfanyl)phenyl benzoate,CSc1cc(ccc1OC(=O)c2ccccc2)C(=O)C,CSc1cc(ccc1OC(=O)c2ccccc2)C(=O)C,"InChI=1/C16H14O3S/c1-11(17)13-8-9-14(15(10-13)20-2)19-16(18)12-6-4-3-5-7-12/h3-10H,1-2H3",C16H14O3S,,,,,,HIGPVCJXNZADEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.245,266-290-8,66264-86-6,(+)-3-(p-methoxyphenyl)-1-methylpropylamine,4-(4-methoxyphenyl)butan-2-amine,COc1ccc(CCC(C)N)cc1,COc1ccc(CCC(C)N)cc1,"InChI=1/C11H17NO/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9H,3-4,12H2,1-2H3",C11H17NO,,,,,,JMHAKVPFYWWNOW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.597,260-076-8,56246-58-3,"[1R-(1a,2a,5a)]-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]","6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]",CC1(C)C2CCC3(CO3)C1C2,CC1(C)C2CCC3(CO3)C1C2,"InChI=1/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3",C10H16O,,,,,,OUXAABAEPHHZPC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.606,260-086-2,56271-94-4,"[6R-[6a,7ß(Z)]]-7-[2-furyl(methoxyimino)acetamido]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",7-{[2-furyl(methoxyimino)acetyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CO)c3occc3,CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CO)c3occc3,"InChI=1/C15H15N3O7S/c1-24-17-9(8-3-2-4-25-8)12(20)16-10-13(21)18-11(15(22)23)7(5-19)6-26-14(10)18/h2-4,10,14,19H,5-6H2,1H3,(H,16,20)(H,22,23)",C15H15N3O7S,,,,,,OUSLHGWWWMRAIG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.610,260-090-4,56277-00-0,2-hexylcyclopent-2-enyl acetate,2-hexylcyclopent-2-en-1-yl acetate,CCCCCCC1=CCCC1OC(=O)C,CCCCCCC1=CCCC1OC(=O)C,"InChI=1/C13H22O2/c1-3-4-5-6-8-12-9-7-10-13(12)15-11(2)14/h9,13H,3-8,10H2,1-2H3",C13H22O2,,,,,,KGARLMJLKLKQMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.614,260-095-1,56283-74-0,"Monensin, 16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-","4-(9-hydroxy-2-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-2-methyl-3-(propionyloxy)pentanoic acid",CCC(=O)OC(C(C)C1OC2(CCC(C)(O2)C3CCC(C)(O3)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C)CC(O)C1C)C(C)C(=O)O,CCC(=O)OC(C(C)C1OC2(CCC(C)(O2)C3CCC(C)(O3)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C)CC(O)C1C)C(C)C(=O)O,"InChI=1/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)",C37H62O12,,,,,,ZNBNBTIDJSKEAM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.373,262-030-2,60033-15-0,N-(2-aminoethyl)-3-hydroxynaphthalene-2-carboxamide monohydrochloride,N-(2-aminoethyl)-3-hydroxy-2-naphthamide hydrochloride,Cl.NCCNC(=O)c1cc2ccccc2cc1O,Cl.NCCNC(=O)c1cc2ccccc2cc1O,"InChI=1/C13H14N2O2.ClH/c14-5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16;/h1-4,7-8,16H,5-6,14H2,(H,15,17);1H",C13H14N2O2.ClH,,,,,,WDFFQRAFNDJCBR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.000,263-819-4,63059-43-8,"2-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-morpholinoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium iodide","2-{3-[5-chloro-1-ethyl-3-(2-morpholin-4-ylethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-en-1-yl}-3-ethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]4c5ccccc5oc4C=CC=C3N(CCN1CCOCC1)c2cc(Cl)ccc2N3CC,[I-].CC[n+]4c5ccccc5oc4C=CC=C3N(CCN1CCOCC1)c2cc(Cl)ccc2N3CC,"InChI=1/C27H32ClN4O2.HI/c1-3-30-22-13-12-21(28)20-24(22)32(15-14-29-16-18-33-19-17-29)26(30)10-7-11-27-31(4-2)23-8-5-6-9-25(23)34-27;/h5-13,20H,3-4,14-19H2,1-2H3;1H/q+1;/p-1",C27H32ClN4O2.I,,,,,,FDZJJIPJNDQFMS-UHFFFAOYSA-M,,,,,,,,,,,
100.058.005,263-825-7,63059-55-2,"2-[2,4-di-tert-pentylphenoxy]hexanoyl chloride","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]hexanoyl chloride",CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Cl,CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Cl,"InChI=1/C22H35ClO2/c1-8-11-12-19(20(23)24)25-18-14-13-16(21(4,5)9-2)15-17(18)22(6,7)10-3/h13-15,19H,8-12H2,1-7H3",C22H35ClO2,,,,,,LRKLDHJJKJBSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.014,263-835-1,63059-80-3,"(4,4-dimethyl-2,5-dioxoimidazolidine-1,3-diyl)diethylene dilaurate","dodecanoic acid - 5,5-dimethyl-1,3-divinylimidazolidine-2,4-dione (2:1)",CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CC1(C)N(C=C)C(=O)N(C=C)C1=O,CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CC1(C)N(C=C)C(=O)N(C=C)C1=O,"InChI=1/2C12H24O2.C9H12N2O2/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-5-10-7(12)9(3,4)11(6-2)8(10)13/h2*2-11H2,1H3,(H,13,14);5-6H,1-2H2,3-4H3",C33H60N2O6,,,,,,SXRUDYASKUDPPH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.935,265-948-1,65850-54-6,"2,2'-[(2,5-dimethyl-p-phenylene)bis(methylene)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2'-dioxide","2,2'-[(2,5-dimethyl-1,4-phenylene)bis(methylene)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide",Cc1cc(CP2(=O)OCC(C)(C)CO2)c(C)cc1CP3(=O)OCC(C)(C)CO3,Cc1cc(CP2(=O)OCC(C)(C)CO2)c(C)cc1CP3(=O)OCC(C)(C)CO3,"InChI=1/C20H32O6P2/c1-15-7-18(10-28(22)25-13-20(5,6)14-26-28)16(2)8-17(15)9-27(21)23-11-19(3,4)12-24-27/h7-8H,9-14H2,1-6H3",C20H32O6P2,,,,,,WXXIZSXQJRYHCL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.937,265-950-2,65859-44-1,Triethylammonium dimethyldithiocarbamate,"N,N-diethylethanaminium dimethyldithiocarbamate",CC[NH+](CC)CC.CN(C)C(=S)[S-],CC[NH+](CC)CC.CN(C)C(=S)[S-],"InChI=1/C6H15N.C3H7NS2/c1-4-7(5-2)6-3;1-4(2)3(5)6/h4-6H2,1-3H3;1-2H3,(H,5,6)",C6H15N.C3H7NS2,,,,,,BKJCFLUMYJMIHC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.944,265-958-6,65872-43-7,(Z)-2-formamido-a-(methoxyimino)thiazol-4-acetic acid,"(2-formamido-1,3-thiazol-4-yl)(methoxyimino)acetic acid",CO\\N=C(/C(=O)O)\\c1csc(NC=O)n1,CO\N=C(/C(=O)O)\c1csc(NC=O)n1,"InChI=1/C7H7N3O4S/c1-14-10-5(6(12)13)4-2-15-7(9-4)8-3-11/h2-3H,1H3,(H,12,13)(H,8,9,11)",C7H7N3O4S,,,,,,NRRJNSWNWIDHOX-YHYXMXQVSA-N,,,,,,,,,,,
100.059.945,265-959-1,65879-43-8,"1-chloro-2,5-bis(1-methylethoxy)-4-nitrobenzene","1-chloro-2,5-diisopropoxy-4-nitrobenzene",CC(C)Oc1cc(c(OC(C)C)cc1Cl)[N+](=O)[O-],CC(C)Oc1cc(c(OC(C)C)cc1Cl)[N+](=O)[O-],"InChI=1/C12H16ClNO4/c1-7(2)17-11-6-10(14(15)16)12(5-9(11)13)18-8(3)4/h5-8H,1-4H3",C12H16ClNO4,,,,,,ANYDHFJLAAOZED-UHFFFAOYSA-N,,,,,,,,,,,
100.059.947,265-961-2,65882-00-0,2-methyl-4-nitrosoresorcinol,"2-methyl-4-nitrosobenzene-1,3-diol",Cc1c(O)ccc(N=O)c1O,Cc1c(O)ccc(N=O)c1O,"InChI=1/C7H7NO3/c1-4-6(9)3-2-5(8-11)7(4)10/h2-3,9-10H,1H3",C7H7NO3,,,,,,WKBLRSUVOPQYMO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.949,265-963-3,65884-46-0,Ciadox,"2-cyano-N'-[(1,4-dioxidoquinoxalin-2-yl)methylene]acetohydrazide",N#CCC(=O)NN=Cc2c[n+]([O-])c1ccccc1[n+]2[O-],N#CCC(=O)NN=Cc2c[n+]([O-])c1ccccc1[n+]2[O-],"InChI=1/C12H9N5O3/c13-6-5-12(18)15-14-7-9-8-16(19)10-3-1-2-4-11(10)17(9)20/h1-4,7-8H,5H2,(H,15,18)",C12H9N5O3,,,,,,MBCZYLSVSCJJJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.954,265-969-6,65894-83-9,"2,5-dihydro-2-isobutyl-4,5-dimethylthiazole","2-isobutyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole",CC(C)CC1SC(C)C(=N1)C,CC(C)CC1SC(C)C(=N1)C,"InChI=1/C9H17NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3",C9H17NS,,,,,,FDOISHJOXPONIV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.962,265-978-5,65916-12-3,"N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-[[2-(2-ethoxyethoxy)ethyl]ethylamino]phenyl]acetamide","N-(2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-{[2-(2-ethoxyethoxy)ethyl](ethyl)amino}phenyl)acetamide",[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(C)=O)N(CC)CCOCCOCC)c(C#N)c2,[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(C)=O)N(CC)CCOCCOCC)c(C#N)c2,"InChI=1/C24H27N7O5/c1-4-30(8-9-36-11-10-35-5-2)20-6-7-22(23(14-20)27-17(3)32)28-29-24-18(15-25)12-21(31(33)34)13-19(24)16-26/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,27,32)",C24H27N7O5,,,,,,AKJJWOKXRZZDHV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.184,267-323-9,67845-52-7,Methyl 4-methyl-2-oxo-3-pentylcyclopent-3-enecarboxylate,methyl 4-methyl-2-oxo-3-pentylcyclopent-3-ene-1-carboxylate,CCCCCC1=C(C)CC(C(=O)OC)C1=O,CCCCCC1=C(C)CC(C(=O)OC)C1=O,"InChI=1/C13H20O3/c1-4-5-6-7-10-9(2)8-11(12(10)14)13(15)16-3/h11H,4-8H2,1-3H3",C13H20O3,,,,,,XIKAJEZWVZFXEF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.180,266-219-0,66172-83-6,"Bis[20-(dinonylphenoxy)-3,6,9,12,15,18-hexaoxaicosyl] hydrogen phosphate","bis[20-(2,3-dinonylphenoxy)-3,6,9,12,15,18-hexaoxaicos-1-yl] hydrogen phosphate",CCCCCCCCCc1cccc(OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOCCOc2cccc(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC,CCCCCCCCCc1cccc(OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOCCOc2cccc(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC,"InChI=1/C76H139O18P/c1-5-9-13-17-21-25-29-35-71-37-33-41-75(73(71)39-31-27-23-19-15-11-7-3)91-67-63-87-59-55-83-51-47-79-43-45-81-49-53-85-57-61-89-65-69-93-95(77,78)94-70-66-90-62-58-86-54-50-82-46-44-80-48-52-84-56-60-88-64-68-92-76-42-34-38-72(36-30-26-22-18-14-10-6-2)74(76)40-32-28-24-20-16-12-8-4/h33-34,37-38,41-42H,5-32,35-36,39-40,43-70H2,1-4H3,(H,77,78)",C76H139O18P,,,,,,JYPWDPPEAZPTCW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.185,266-224-8,66182-97-6,"Thiazolo[5,4-d]thiazole-2,5-diylbis[methoxybenzenesulphonic] acid","3,3'-[1,3]thiazolo[5,4-d][1,3]thiazole-2,5-diylbis(2-methoxybenzenesulfonic acid)",COc1c(cccc1S(=O)(=O)O)c2nc3sc(nc3s2)c4cccc(c4OC)S(=O)(=O)O,COc1c(cccc1S(=O)(=O)O)c2nc3sc(nc3s2)c4cccc(c4OC)S(=O)(=O)O,"InChI=1/C18H14N2O8S4/c1-27-13-9(5-3-7-11(13)31(21,22)23)15-19-17-18(29-15)20-16(30-17)10-6-4-8-12(14(10)28-2)32(24,25)26/h3-8H,1-2H3,(H,21,22,23)(H,24,25,26)",C18H14N2O8S4,,,,,,ZHWVGPZFXBIPLS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.189,266-229-5,66195-31-1,Ibopamine,"4-[2-(methylamino)ethyl]-1,2-phenylene bis(2-methylpropanoate)",CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1,CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1,"InChI=1/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3",C17H25NO4,,,,,,WDKXLLJDNUBYCY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.193,266-233-7,66203-00-7,Carocainide,"1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea",CNC(=O)Nc1c(OC)c2ccoc2c(OC)c1OCCN3CCCC3,CNC(=O)Nc1c(OC)c2ccoc2c(OC)c1OCCN3CCCC3,"InChI=1/C18H25N3O5/c1-19-18(22)20-13-14(23-2)12-6-10-25-15(12)17(24-3)16(13)26-11-9-21-7-4-5-8-21/h6,10H,4-5,7-9,11H2,1-3H3,(H2,19,20,22)",C18H25N3O5,,,,,,BWMMRMDCODVQBX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.197,266-237-9,66209-50-5,"1,1-bis(N-acetylcarbamoyl)ethyl acetate",2-acetamido-1-(acetylcarbamoyl)-1-methyl-2-oxoethyl acetate,CC(=O)NC(=O)C(C)(OC(=O)C)C(=O)NC(=O)C,CC(=O)NC(=O)C(C)(OC(=O)C)C(=O)NC(=O)C,"InChI=1/C10H14N2O6/c1-5(13)11-8(16)10(4,18-7(3)15)9(17)12-6(2)14/h1-4H3,(H,11,13,16)(H,12,14,17)",C10H14N2O6,,,,,,VXVZLUGHWLVUEA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.198,266-238-4,66209-67-4,"Sodium 2-(hexadecyloxy)-5-[7-[(1-phenyl-1H-tetrazol-5-yl)thio]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzenesulphonate","sodium 2-(hexadecyloxy)-5-{7-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzenesulfonate",[Na+].CCCCCCCCCCCCCCCCOc1ccc(cc1S(=O)(=O)[O-])C2=Nn3cnnc3SC2Sc4nnnn4c5ccccc5,[Na+].CCCCCCCCCCCCCCCCOc1ccc(cc1S(=O)(=O)[O-])C2=Nn3cnnc3SC2Sc4nnnn4c5ccccc5,"InChI=1/C33H44N8O4S3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-45-28-22-21-26(24-29(28)48(42,43)44)30-31(46-32-35-34-25-40(32)37-30)47-33-36-38-39-41(33)27-19-16-15-17-20-27;/h15-17,19-22,24-25,31H,2-14,18,23H2,1H3,(H,42,43,44);/q;+1/p-1",C33H44N8O4S3.Na,,,,,,PBEBYNCXTMVYLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.199,266-240-5,66210-62-6,"N-[2-chloro-5-[[4-(2,4-di-tert-pentylphenoxy)-1-oxobutyl]amino]phenyl]-a-(2,2-dimethyl-1-oxopropyl)-5-isopropyl-2-[(p-tolylsulphonyl)imino]-1,3,4-thiadiazol-3(2H)-acetamide","N-[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-2-[5-isopropyl-2-{[(4-methylphenyl)sulfonyl]imino}-1,3,4-thiadiazol-3(2H)-yl]-4,4-dimethyl-3-oxopentanamide",O=S(=O)(N=C3S\\C(=N/N3C(C(=O)C(C)(C)C)C(=O)Nc2cc(NC(=O)CCCOc1ccc(cc1C(C)(C)CC)C(C)(C)CC)ccc2Cl)C(C)C)c4ccc(C)cc4,O=S(=O)(N=C3S\C(=N/N3C(C(=O)C(C)(C)C)C(=O)Nc2cc(NC(=O)CCCOc1ccc(cc1C(C)(C)CC)C(C)(C)CC)ccc2Cl)C(C)C)c4ccc(C)cc4,"InChI=1/C45H60ClN5O6S2/c1-13-44(9,10)30-19-24-36(33(26-30)45(11,12)14-2)57-25-15-16-37(52)47-31-20-23-34(46)35(27-31)48-40(54)38(39(53)43(6,7)8)51-42(58-41(49-51)28(3)4)50-59(55,56)32-21-17-29(5)18-22-32/h17-24,26-28,38H,13-16,25H2,1-12H3,(H,47,52)(H,48,54)",C45H60ClN5O6S2,,,,,,MBGFJAVSRUZAQK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.202,266-243-1,66214-42-4,Disodium 2-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]benzoate,disodium 2-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]benzoate,[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O,[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O,"InChI=1/C17H13N3O6S.2Na/c18-10-6-5-9-7-14(27(24,25)26)15(16(21)12(9)8-10)20-19-13-4-2-1-3-11(13)17(22)23;;/h1-8,21H,18H2,(H,22,23)(H,24,25,26);;/q;2*+1/p-2",C17H13N3O6S.2Na,,,,,,JAASVAXWTKMZPV-UHFFFAOYSA-L,,,,,,,,,,,
100.037.374,241-127-3,17066-08-9,N-(2-carboxyethyl)-N-dodecyl-ß-alanine,"3,3'-(dodecylimino)dipropanoic acid (non-preferred name)",CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O,CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O,"InChI=1/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23)",C18H35NO4,,,,,,XYYUAOIALFMRGY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.125,236-453-8,13379-87-8,[2-hydroxy-3-[2-(methylthio)phenoxy]propyl]isopropylammonium chloride,2-hydroxy-N-isopropyl-3-[2-(methylsulfanyl)phenoxy]propan-1-aminium chloride,[Cl-].CSc1ccccc1OCC(O)C[NH2+]C(C)C,[Cl-].CSc1ccccc1OCC(O)C[NH2+]C(C)C,"InChI=1/C13H21NO2S.ClH/c1-10(2)14-8-11(15)9-16-12-6-4-5-7-13(12)17-3;/h4-7,10-11,14-15H,8-9H2,1-3H3;1H",C13H21NO2S.ClH,,,,,,PZWMMXHCUXTDQM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.126,236-454-3,13380-80-8,2-benzyl-3-methylcyclopent-2-en-1-one,2-benzyl-3-methylcyclopent-2-en-1-one,CC1=C(Cc2ccccc2)C(=O)CC1,CC1=C(Cc2ccccc2)C(=O)CC1,"InChI=1/C13H14O/c1-10-7-8-13(14)12(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3",C13H14O,,,,,,CCXVNJKURYRXRY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.129,236-458-5,13380-94-4,"Tricyclo[5.2.1.02,6]decane-8-one","octahydro-5H-4,7-methanoinden-5-one",O=C1CC2CC1C3CCCC23,O=C1CC2CC1C3CCCC23,"InChI=1/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2",C10H14O,,,,,,OMIDXVJKZCPKEI-UHFFFAOYSA-N,,,,,,,,,,,
100.033.131,236-460-6,13385-20-1,Isopropylidenedi-p-phenylene tetra-o-tolyl bis(phosphate),"tetrakis(2-methylphenyl) propane-2,2-diyldi-4,1-phenylene bis(phosphate)",Cc1ccccc1OP(=O)(Oc2ccc(cc2)C(C)(C)c3ccc(OP(=O)(Oc4ccccc4C)Oc5ccccc5C)cc3)Oc6ccccc6C,Cc1ccccc1OP(=O)(Oc2ccc(cc2)C(C)(C)c3ccc(OP(=O)(Oc4ccccc4C)Oc5ccccc5C)cc3)Oc6ccccc6C,"InChI=1/C43H42O8P2/c1-31-15-7-11-19-39(31)48-52(44,49-40-20-12-8-16-32(40)2)46-37-27-23-35(24-28-37)43(5,6)36-25-29-38(30-26-36)47-53(45,50-41-21-13-9-17-33(41)3)51-42-22-14-10-18-34(42)4/h7-30H,1-6H3",C43H42O8P2,,,,,,BXYCHPONLSDFMX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.136,236-465-3,13390-47-1,"Sodium 2,2'-thiobis(5-(4-ethoxyphenylazo)benzenesulphonate","disodium 2,2'-sulfanediylbis{5-[(4-ethoxyphenyl)diazenyl]benzenesulfonate}",CCOc1ccc(cc1)N=Nc2ccc(Sc3ccc(cc3S(=O)(=O)O[Na])N=Nc4ccc(OCC)cc4)c(c2)S(=O)(=O)O[Na],CCOc1ccc(cc1)N=Nc2ccc(Sc3ccc(cc3S(=O)(=O)O[Na])N=Nc4ccc(OCC)cc4)c(c2)S(=O)(=O)O[Na],"InChI=1/C28H26N4O8S3.2Na/c1-3-39-23-11-5-19(6-12-23)29-31-21-9-15-25(27(17-21)42(33,34)35)41-26-16-10-22(18-28(26)43(36,37)38)32-30-20-7-13-24(14-8-20)40-4-2;;/h5-18H,3-4H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/rC28H24N4Na2O8S3/c1-3-39-23-11-5-19(6-12-23)29-31-21-9-15-25(27(17-21)44(35,36)41-33)43-26-16-10-22(18-28(26)45(37,38)42-34)32-30-20-7-13-24(14-8-20)40-4-2/h5-18H,3-4H2,1-2H3",C28H26N4O8S3.2Na,,,,,,VSSMQLIMSVAUDK-UHFFFAOYSA-L,,,,,,,,,,,
100.054.681,260-168-8,56418-85-0,"Dibenzofuran-2,8-bis(sulphonohydrazide)","dibenzo[b,d]furan-2,8-disulfonohydrazide",NNS(=O)(=O)c1ccc2oc3ccc(cc3c2c1)S(=O)(=O)NN,NNS(=O)(=O)c1ccc2oc3ccc(cc3c2c1)S(=O)(=O)NN,"InChI=1/C12H12N4O5S2/c13-15-22(17,18)7-1-3-11-9(5-7)10-6-8(23(19,20)16-14)2-4-12(10)21-11/h1-6,15-16H,13-14H2",C12H12N4O5S2,,,,,,UIUWCVSRSKMUET-UHFFFAOYSA-N,,,,,,,,,,,
100.054.683,260-170-9,56423-43-9,Heptyl isovalerate,heptyl 3-methylbutanoate,CCCCCCCOC(=O)CC(C)C,CCCCCCCOC(=O)CC(C)C,"InChI=1/C12H24O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h11H,4-10H2,1-3H3",C12H24O2,,,,,,NPBMPHKEFVCCEY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.686,260-174-0,56428-00-3,"1,1'-[oxybis(methylene)]bis(4-chlorobenzene)","1,1'-[oxybis(methylene)]bis(4-chlorobenzene)",Clc1ccc(COCc2ccc(Cl)cc2)cc1,Clc1ccc(COCc2ccc(Cl)cc2)cc1,"InChI=1/C14H12Cl2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2",C14H12Cl2O,,,,,,REXQTRHCVRPOMB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.687,260-175-6,56430-08-1,"1,2-dihydro-1,5-dimethyl-2-(p-tolyl)-3H-pyrazol-3-one","1,5-dimethyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-one",CN1N(C(=O)C=C1C)c2ccc(C)cc2,CN1N(C(=O)C=C1C)c2ccc(C)cc2,"InChI=1/C12H14N2O/c1-9-4-6-11(7-5-9)14-12(15)8-10(2)13(14)3/h4-8H,1-3H3",C12H14N2O,,,,,,CSVSLJZHBKTVNT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.691,260-179-8,56433-01-3,2-(bromomethyl)-1-chloro-3-nitrobenzene,2-(bromomethyl)-1-chloro-3-nitrobenzene,[O-][N+](=O)c1cccc(Cl)c1CBr,[O-][N+](=O)c1cccc(Cl)c1CBr,"InChI=1/C7H5BrClNO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2",C7H5BrClNO2,,,,,,MAIVNONTLACJOK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.694,260-182-4,56438-09-6,Heptylidene diacetate,"heptane-1,1-diyl diacetate",CCCCCCC(OC(=O)C)OC(=O)C,CCCCCCC(OC(=O)C)OC(=O)C,"InChI=1/C11H20O4/c1-4-5-6-7-8-11(14-9(2)12)15-10(3)13/h11H,4-8H2,1-3H3",C11H20O4,,,,,,FZWKNDYRQQUQEC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.696,260-185-0,56442-22-9,Benzyl p-(benzyloxy)benzoate,benzyl 4-(benzyloxy)benzoate,O=C(OCc1ccccc1)c2ccc(OCc3ccccc3)cc2,O=C(OCc1ccccc1)c2ccc(OCc3ccccc3)cc2,"InChI=1/C21H18O3/c22-21(24-16-18-9-5-2-6-10-18)19-11-13-20(14-12-19)23-15-17-7-3-1-4-8-17/h1-14H,15-16H2",C21H18O3,,,,,,BPLKDVGMXNZCQO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.697,260-186-6,56448-49-8,Methyloctadecylbenzenesulphonic acid,2-(1-methyloctadecyl)benzenesulfonic acid,CCCCCCCCCCCCCCCCCC(C)c1ccccc1S(=O)(=O)O,CCCCCCCCCCCCCCCCCC(C)c1ccccc1S(=O)(=O)O,"InChI=1/C25H44O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(2)24-21-18-19-22-25(24)29(26,27)28/h18-19,21-23H,3-17,20H2,1-2H3,(H,26,27,28)",C25H44O3S,,,,,,ZRPKAINKWDGAFV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.620,260-101-2,56296-78-7,Methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]ammonium chloride,N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium chloride,[Cl-].C[NH2+]CCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2,[Cl-].C[NH2+]CCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2,"InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H",C17H18F3NO.ClH,,,,,,GIYXAJPCNFJEHY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.623,260-104-9,56307-70-1,Bis(2-methoxy-4-nitrobenzenediazonium) naphthalenedisulphonate,"bis(2-methoxy-4-nitrobenzenediazonium) naphthalene-1,2-disulfonate",COc1cc(ccc1[N+]#N)[N+](=O)[O-].COc2cc(ccc2[N+]#N)[N+](=O)[O-].[O-]S(=O)(=O)c3ccc4ccccc4c3S(=O)(=O)[O-],COc1cc(ccc1[N+]#N)[N+](=O)[O-].COc2cc(ccc2[N+]#N)[N+](=O)[O-].[O-]S(=O)(=O)c3ccc4ccccc4c3S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2C7H6N3O3/c11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16;2*1-13-7-4-5(10(11)12)2-3-6(7)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2",C10H6O6S2.2C7H6N3O3,,,,,,XJKNMSTXNPXTMT-UHFFFAOYSA-L,,,,,,,,,,,
100.047.455,252-217-7,34791-88-3,N-(1-naphthyl)-2-[(2-nitro-p-tolyl)azo]-3-oxo-3-phenylpropionamide,2-[(4-methyl-2-nitrophenyl)diazenyl]-N-1-naphthyl-3-oxo-3-phenylpropanamide,[O-][N+](=O)c4cc(C)ccc4N=NC(C(=O)c1ccccc1)C(=O)Nc3cccc2ccccc23,[O-][N+](=O)c4cc(C)ccc4N=NC(C(=O)c1ccccc1)C(=O)Nc3cccc2ccccc23,"InChI=1/C26H20N4O4/c1-17-14-15-22(23(16-17)30(33)34)28-29-24(25(31)19-9-3-2-4-10-19)26(32)27-21-13-7-11-18-8-5-6-12-20(18)21/h2-16,24H,1H3,(H,27,32)",C26H20N4O4,,,,,,KOGUUPJGYUKDGX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.472,252-236-0,34834-78-1,2-(dimethylamino)ethyl 5-oxo-L-prolinate,2-(dimethylamino)ethyl 5-oxo-L-prolinate,CN(C)CCOC(=O)[C@@H]1CCC(=O)N1,CN(C)CCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C9H16N2O3/c1-11(2)5-6-14-9(13)7-3-4-8(12)10-7/h7H,3-6H2,1-2H3,(H,10,12)",C9H16N2O3,,,,,,VXLWESKPIFFDJU-ZETCQYMHSA-N,,,,,,,,,,,
100.047.475,252-239-7,34839-44-6,"3,3,4,4,5,5,6,6,6-nonafluorohexyl nitrate","3,3,4,4,5,5,6,6,6-nonafluorohexyl nitrate",[O-][N+](=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[O-][N+](=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6H4F9NO3/c7-3(8,1-2-19-16(17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2",C6H4F9NO3,,,,,,JTINRXZCXXXKMA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.478,252-242-3,34841-35-5,3'-chloropropiophenone,1-(3-chlorophenyl)propan-1-one,CCC(=O)c1cccc(Cl)c1,CCC(=O)c1cccc(Cl)c1,"InChI=1/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",C9H9ClO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11873,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.478,PQWGFUFROKIJBO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.483,252-248-6,34846-64-5,Quinoline-3-carbonitrile,quinoline-3-carbonitrile,N#Cc1cnc2ccccc2c1,N#Cc1cnc2ccccc2c1,"InChI=1/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H",C10H6N2,,,,,,QZZYYBQGTSGDPP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.313,264-164-7,63449-93-4,"1,2-dimethyl-3-phenylpropyl formate","1,2-dimethyl-3-phenylpropyl formate",CC(Cc1ccccc1)C(C)OC=O,CC(Cc1ccccc1)C(C)OC=O,"InChI=1/C12H16O2/c1-10(11(2)14-9-13)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3",C12H16O2,,,,,,MEHODVFYXPFAME-UHFFFAOYSA-N,,,,,,,,,,,
100.058.316,264-167-3,63450-10-2,"a,ß-dimethylcyclohexanepropanol",4-cyclohexyl-3-methylbutan-2-ol,CC(O)C(C)CC1CCCCC1,CC(O)C(C)CC1CCCCC1,"InChI=1/C11H22O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h9-12H,3-8H2,1-2H3",C11H22O,,,,,,UNFLPVPOSGWAPY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.322,264-174-1,63450-45-3,"1-(1-hydroxy-2-naphthyl)-3-phenylpropane-1,3-dione","1-(1-hydroxy-2-naphthyl)-3-phenylpropane-1,3-dione",Oc1c(ccc2ccccc12)C(=O)CC(=O)c3ccccc3,Oc1c(ccc2ccccc12)C(=O)CC(=O)c3ccccc3,"InChI=1/C19H14O3/c20-17(14-7-2-1-3-8-14)12-18(21)16-11-10-13-6-4-5-9-15(13)19(16)22/h1-11,22H,12H2",C19H14O3,,,,,,SIVIDNLTOXSUIX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.323,264-175-7,63450-46-4,Ethyl [2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]carbamate,ethyl [2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]carbamate,CCOC(=O)Nc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,CCOC(=O)Nc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,"InChI=1/C13H10F3NO4/c1-2-20-12(19)17-7-3-4-8-9(13(14,15)16)6-11(18)21-10(8)5-7/h3-6H,2H2,1H3,(H,17,19)",C13H10F3NO4,,,,,,VUJLMASTRUYUHD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.328,264-180-4,63450-71-5,Dioctyl disulphoxide,"1,2-dioctyldisulfane 1,2-dioxide",CCCCCCCCS(=O)S(=O)CCCCCCCC,CCCCCCCCS(=O)S(=O)CCCCCCCC,"InChI=1/C16H34O2S2/c1-3-5-7-9-11-13-15-19(17)20(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34O2S2,,,,,,UBCASRCXBQBPCA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.332,264-185-1,63450-91-9,"Dipotassium pyridine-2,6-dicarboxylate","dipotassium pyridine-2,6-dicarboxylate",[K+].[K+].[O-]C(=O)c1cccc(n1)C(=O)[O-],[K+].[K+].[O-]C(=O)c1cccc(n1)C(=O)[O-],"InChI=1/C7H5NO4.2K/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-3H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C7H5NO4.2K,,,,,,NOPXMRKOYPZIFG-UHFFFAOYSA-L,,,,,,,,,,,
100.058.337,264-190-9,63451-28-5,2-[[4-(dimethylamino)phenyl]azo]benzoic acid monohydrochloride,2-{[4-(dimethylamino)phenyl]diazenyl}benzoic acid hydrochloride,Cl.CN(C)c2ccc(N=Nc1ccccc1C(O)=O)cc2,Cl.CN(C)c2ccc(N=Nc1ccccc1C(O)=O)cc2,"InChI=1/C15H15N3O2.ClH/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);1H",C15H15N3O2.ClH,,,,,,ICTWKXAVJAHRMK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.187,267-327-0,67845-55-0,2-hydroxyheptyl isobutyrate,2-hydroxyheptyl 2-methylpropanoate,CCCCCC(O)COC(=O)C(C)C,CCCCCC(O)COC(=O)C(C)C,"InChI=1/C11H22O3/c1-4-5-6-7-10(12)8-14-11(13)9(2)3/h9-10,12H,4-8H2,1-3H3",C11H22O3,,,,,,AQENJUWUMIOQRA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.188,267-328-6,67845-56-1,2-hydroxyheptyl propionate,2-hydroxyheptyl propionate,CCCCCC(O)COC(=O)CC,CCCCCC(O)COC(=O)CC,"InChI=1/C10H20O3/c1-3-5-6-7-9(11)8-13-10(12)4-2/h9,11H,3-8H2,1-2H3",C10H20O3,,,,,,SPSUSSKQSQLWFK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.192,267-332-8,67845-60-7,"Dibutyl hydrogen phosphite, compound with methyl-1H-benzotriazole (1:1)",dibutyl hydrogen phosphite - 1-methyl-1H-benzotriazole (1:1),CCCCOP(O)OCCCC.Cn1nnc2ccccc12,CCCCOP(O)OCCCC.Cn1nnc2ccccc12,"InChI=1/C8H19O3P.C7H7N3/c1-3-5-7-10-12(9)11-8-6-4-2;1-10-7-5-3-2-4-6(7)8-9-10/h9H,3-8H2,1-2H3;2-5H,1H3",C8H19O3P.C7H7N3,,,,,,TVYBJUXMBMMIQX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.196,267-337-5,67845-80-1,"2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-dodecylphenol","2,6-bis{[bis(2-hydroxyethyl)amino]methyl}-4-dodecylphenol",CCCCCCCCCCCCc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1,CCCCCCCCCCCCc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1,"InChI=1/C28H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-21-26(23-29(13-17-31)14-18-32)28(35)27(22-25)24-30(15-19-33)16-20-34/h21-22,31-35H,2-20,23-24H2,1H3",C28H52N2O5,,,,,,OULHAICTILGDPH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.197,267-338-0,67845-81-2,2-(2-phenoxyethoxy)ethyl benzoate,2-(2-phenoxyethoxy)ethyl benzoate,O=C(OCCOCCOc1ccccc1)c2ccccc2,O=C(OCCOCCOc1ccccc1)c2ccccc2,"InChI=1/C17H18O4/c18-17(15-7-3-1-4-8-15)21-14-12-19-11-13-20-16-9-5-2-6-10-16/h1-10H,11-14H2",C17H18O4,,,,,,TZHGOJUYMUTMTF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.203,267-344-3,67845-95-8,3-hexadecyl-4-pentadecylideneoxetan-2-one,3-hexadecyl-4-pentadecylideneoxetan-2-one,O=C1OC(=CCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCCCC,O=C1OC(=CCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCCCC,"InChI=1/C34H64O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-33(36-34(32)35)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3",C34H64O2,,,,,,XPBFTRCBWYTEOD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.205,267-346-4,67845-97-0,2-hydroxy-4-[(3-methylheptyl)oxy]phenyl phenyl ketone,{2-hydroxy-4-[(3-methylheptyl)oxy]phenyl}(phenyl)methanone,CCCCC(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,CCCCC(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C21H26O3/c1-3-4-8-16(2)13-14-24-18-11-12-19(20(22)15-18)21(23)17-9-6-5-7-10-17/h5-7,9-12,15-16,22H,3-4,8,13-14H2,1-2H3",C21H26O3,,,,,,DRGCHZYNFDICTL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.207,267-349-0,67846-00-8,"2,2,6,6-tetramethylpiperidine-4-carbonyl chloride","2,2,6,6-tetramethylpiperidine-4-carbonyl chloride",CC1(C)CC(CC(C)(C)N1)C(=O)Cl,CC1(C)CC(CC(C)(C)N1)C(=O)Cl,"InChI=1/C10H18ClNO/c1-9(2)5-7(8(11)13)6-10(3,4)12-9/h7,12H,5-6H2,1-4H3",C10H18ClNO,,,,,,HIYNTTVIYPASAN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.210,267-352-7,67846-03-1,"Bis[1,3-dimethyl-2-[[4-(methylamino)phenyl]azo]-1H-imidazolium] tetrachlorozincate(2-)","bis(1,3-dimethyl-2-{[4-(methylamino)phenyl]diazenyl}-2,3-dihydro-1H-imidazol-1-ium) tetrachlorozincate(2-)",CN2/C=C\\[NH+](C)C2N=Nc1ccc(NC)cc1.Cl[Zn-2](Cl)(Cl)Cl.CNc1ccc(cc1)N=NC2[NH+](C)\\C=C/N2C,CN2/C=C\[NH+](C)C2N=Nc1ccc(NC)cc1.Cl[Zn-2](Cl)(Cl)Cl.CNc1ccc(cc1)N=NC2[NH+](C)\C=C/N2C,"InChI=1/2C12H17N5.4ClH.Zn/c2*1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;;;;;/h2*4-9,12-13H,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C12H17N5.Cl4Zn/c2*1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-5(2,3)4/h2*4-9,12-13H,1-3H3;/q;;-2/p+2",C12H16N5.1/2Cl4Zn,,,,,,JTENOAPVGUETQI-UHFFFAOYSA-L,,,,,,,,,,,
100.061.215,267-357-4,67846-12-2,Ethylbis[2-(oleoylamino)ethyl]ammonium ethyl sulphate,N-ethyl-2-(oleoylamino)-N-[2-(oleoylamino)ethyl]ethanaminium ethyl sulfate,CCCCCCCC\\C=C/CCCCCCCC(=O)NCC[NH+](CC)CCNC(=O)CCCCCCC\\C=C/CCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCC[NH+](CC)CCNC(=O)CCCCCCC\C=C/CCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C42H81N3O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-39-45(6-3)40-38-44-42(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h19-22H,4-18,23-40H2,1-3H3,(H,43,46)(H,44,47);2H2,1H3,(H,3,4,5)",C42H81N3O2.C2H6O4S,,,,,,ZYVBAZSLDBUEAZ-JDVCJPALSA-N,,,,,,,,,,,
100.061.217,267-360-0,67846-16-6,Ethyldimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium ethyl sulphate,"N-ethyl-N,N-dimethyl-3-(stearoylamino)propan-1-aminium ethyl sulfate",CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1/C25H52N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27(3,4)6-2;1-2-6-7(3,4)5/h5-24H2,1-4H3;2H2,1H3,(H,3,4,5)",C25H53N2O.C2H5O4S,,,,,,WBJQGBBEPJLNKP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.224,267-367-9,67846-54-2,"1-amino-4-[3-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2,4,6-trimethyl-5-sulphoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(3-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1c(NC(=O)c2cc(Cl)nnc2Cl)c(C)c(c(C)c1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)S(=O)(=O)O,Cc1c(NC(=O)c2cc(Cl)nnc2Cl)c(C)c(c(C)c1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C28H21Cl2N5O9S2/c1-10-22(11(2)26(46(42,43)44)12(3)23(10)33-28(38)15-8-18(29)34-35-27(15)30)32-16-9-17(45(39,40)41)21(31)20-19(16)24(36)13-6-4-5-7-14(13)25(20)37/h4-9,32H,31H2,1-3H3,(H,33,38)(H,39,40,41)(H,42,43,44)",C28H21Cl2N5O9S2,,,,,,WPNCZPHIKSFVSG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.205,266-246-8,66214-47-9,"2,7-Naphthalenedisulfonic acid, 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt","tetrasodium 4-hydroxy-3-({4'-[(2-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc8c(c1)cc(c(O)c8N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S([O-])(=O)=O)cc(cc6N=NC5C(\\C)=N/N(c4ccccc4)C5=O)S([O-])(=O)=O)c(OC)c7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc8c(c1)cc(c(O)c8N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S([O-])(=O)=O)cc(cc6N=NC5C(\C)=N/N(c4ccccc4)C5=O)S([O-])(=O)=O)c(OC)c7)S([O-])(=O)=O,"InChI=1/C44H34N8O17S4.4Na/c1-22-39(44(55)52(51-22)27-7-5-4-6-8-27)48-47-33-21-29(71(59,60)61)16-26-20-36(72(62,63)64)41(43(54)38(26)33)50-46-32-14-10-24(18-35(32)69-3)23-9-13-31(34(17-23)68-2)45-49-40-30-12-11-28(70(56,57)58)15-25(30)19-37(42(40)53)73(65,66)67;;;;/h4-21,39,53-54H,1-3H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4",C44H34N8O17S4.4Na,,,,,,ZPPSKXJGHDUCJN-UHFFFAOYSA-J,,,,,,,,,,,
100.060.207,266-248-9,66214-49-1,Disodium 5-[[4-[[[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-3-methylsalicylate,disodium 2-hydroxy-5-({4-[({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)-3-methylbenzoate,[Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(N=Nc1cc(C([O-])=O)c(O)c(C)c1)cc2)N=Nc4cccc(c4)S([O-])(=O)=O,[Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(N=Nc1cc(C([O-])=O)c(O)c(C)c1)cc2)N=Nc4cccc(c4)S([O-])(=O)=O,"InChI=1/C28H24N6O8S.2Na/c1-16-12-21(14-23(26(16)35)27(36)37)34-31-18-8-6-17(7-9-18)29-28(38)30-24-11-10-20(15-25(24)42-2)33-32-19-4-3-5-22(13-19)43(39,40)41;;/h3-15,35H,1-2H3,(H,36,37)(H2,29,30,38)(H,39,40,41);;/q;2*+1/p-2",C28H24N6O8S.2Na,,,,,,OULJVPDFRVSKPE-UHFFFAOYSA-L,,,,,,,,,,,
100.054.552,260-027-0,56172-46-4,"(,E)-3,7-dimethyl-2,6-octadienyl 2-butenoate","3,7-dimethylocta-2,6-dien-1-yl but-2-enoate",CC=CC(=O)OCC=C(C)CCC=C(C)C,CC=CC(=O)OCC=C(C)CCC=C(C)C,"InChI=1/C14H22O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3",C14H22O2,,,,,,MQTAGIYIVBMTBT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.560,260-035-4,56181-67-0,"3-[1,1'-biphenyl]-4-yl-1-bromo-1,2,3,4-tetrahydronaphthalene","4-(4-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)biphenyl",BrC1CC(Cc2ccccc12)c3ccc(cc3)c4ccccc4,BrC1CC(Cc2ccccc12)c3ccc(cc3)c4ccccc4,"InChI=1/C22H19Br/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20,22H,14-15H2",C22H19Br,,,,,,VLTQDLHIBNGGAL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.562,260-038-0,56181-82-9,"3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthol","3-(4'-bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol",OC1CC(Cc2ccccc12)c3ccc(cc3)c4ccc(Br)cc4,OC1CC(Cc2ccccc12)c3ccc(cc3)c4ccc(Br)cc4,"InChI=1/C22H19BrO/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19,22,24H,13-14H2",C22H19BrO,,,,,,LGYMGAWTNGCUFA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.563,260-039-6,56185-25-2,"2,5-diethoxy-4-nitroaniline","2,5-diethoxy-4-nitroaniline",CCOc1cc(c(OCC)cc1N)[N+](=O)[O-],CCOc1cc(c(OCC)cc1N)[N+](=O)[O-],"InChI=1/C10H14N2O4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4,11H2,1-2H3",C10H14N2O4,,,,,,DPXZULKECUHOKO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.568,260-044-3,56190-17-1,"4-propoxybenzene-1,2-diamine","4-propoxybenzene-1,2-diamine",CCCOc1ccc(N)c(N)c1,CCCOc1ccc(N)c(N)c1,"InChI=1/C9H14N2O/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6H,2,5,10-11H2,1H3",C9H14N2O,,,,,,UUAOMJOZLSTWIP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.570,260-046-4,56195-25-6,"a-[2,3-dihydro-3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile","1H-benzimidazol-2-yl[3-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)-2,3-dihydro-1H-isoindol-1-ylidene]acetonitrile",O=C\\1N(C)C(=O)N(C)C(=O)C/1=C3/NC(c2ccccc23)=C(C#N)c4nc5ccccc5n4,O=C\1N(C)C(=O)N(C)C(=O)C/1=C3/NC(c2ccccc23)=C(C#N)c4nc5ccccc5n4,"InChI=1/C23H16N6O3/c1-28-21(30)17(22(31)29(2)23(28)32)19-13-8-4-3-7-12(13)18(27-19)14(11-24)20-25-15-9-5-6-10-16(15)26-20/h3-10,27H,1-2H3,(H,25,26)",C23H16N6O3,,,,,,RXQFNYIQKDNLMM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.572,260-049-0,56195-27-8,"a-[2,3-dihydro-3-[tetrahydro-1,3-bis(3-methoxypropyl)-2,4,6-trioxo-5(2H)-pyrimidin-ylidene]-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile","1H-benzimidazol-2-yl{3-[1,3-bis(3-methoxypropyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]-2,3-dihydro-1H-isoindol-1-ylidene}acetonitrile",COCCCN1C(=O)N(CCCOC)C(=O)C(=C2NC(=C(C#N)c3nc4ccccc4[nH]3)c5ccccc25)C1=O,COCCCN1C(=O)N(CCCOC)C(=O)C(=C2NC(=C(C#N)c3nc4ccccc4[nH]3)c5ccccc25)C1=O,"InChI=1/C29H28N6O5/c1-39-15-7-13-34-27(36)23(28(37)35(29(34)38)14-8-16-40-2)25-19-10-4-3-9-18(19)24(33-25)20(17-30)26-31-21-11-5-6-12-22(21)32-26/h3-6,9-12,33H,7-8,13-16H2,1-2H3,(H,31,32)",C29H28N6O5,,,,,,UVENWRLRGHRWRE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.573,260-050-6,56195-50-7,"(5a,6a)-17-allyl-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-ol","17-allyl-3-methoxy-7,8-didehydro-4,5-epoxymorphinan-6-ol",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3CC=C,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3CC=C,"InChI=1/C20H23NO3/c1-3-9-21-10-8-20-13-5-6-15(22)19(20)24-18-16(23-2)7-4-12(17(18)20)11-14(13)21/h3-7,13-15,19,22H,1,8-11H2,2H3",C20H23NO3,,,,,,XAOWELGMJQTJQR-WYIOCLOVSA-N,,,,,,,,,,,
100.054.584,260-062-1,56216-28-5,"3,5-diamino-2,6-dimethoxypyridine dihydrochloride","2,6-dimethoxypyridine-3,5-diamine dihydrochloride",Cl.Cl.COc1nc(OC)c(N)cc1N,Cl.Cl.COc1nc(OC)c(N)cc1N,"InChI=1/C7H11N3O2.2ClH/c1-11-6-4(8)3-5(9)7(10-6)12-2;;/h3H,8-9H2,1-2H3;2*1H",C7H11N3O2.2ClH,,,,,,WHKIQFYYHZPIBH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.586,260-064-2,56219-04-6,(Z)-hexadec-9-enal,hexadec-9-enal,CCCCCC\\C=C/CCCCCCCC=O,CCCCCC\C=C/CCCCCCCC=O,"InChI=1/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3",C16H30O,,,,,,QFPVVMKZTVQDTL-FPLPWBNLSA-N,,,,,,,,,,,
100.054.588,260-066-3,56219-57-9,Arildone,"4-[6-(2-chloro-4-methoxyphenoxy)hexyl]heptane-3,5-dione",CCC(=O)C(CCCCCCOc1ccc(OC)cc1Cl)C(=O)CC,CCC(=O)C(CCCCCCOc1ccc(OC)cc1Cl)C(=O)CC,"InChI=1/C20H29ClO4/c1-4-18(22)16(19(23)5-2)10-8-6-7-9-13-25-20-12-11-15(24-3)14-17(20)21/h11-12,14,16H,4-10,13H2,1-3H3",C20H29ClO4,,,,,,DIXRMZGIJNJUGL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.704,260-193-4,56469-10-4,"5-(1,1-dimethylheptyl)resorcinol","5-(1,1-dimethylheptyl)benzene-1,3-diol",CCCCCCC(C)(C)c1cc(O)cc(O)c1,CCCCCCC(C)(C)c1cc(O)cc(O)c1,"InChI=1/C15H24O2/c1-4-5-6-7-8-15(2,3)12-9-13(16)11-14(17)10-12/h9-11,16-17H,4-8H2,1-3H3",C15H24O2,,,,,,GWBGUJWRDDDVBI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.708,260-198-1,56471-18-2,Ethyl N-(1-isopropylcyclopentanecarbonyl)glycinate,ethyl N-[(1-isopropylcyclopentyl)carbonyl]glycinate,CCOC(=O)CNC(=O)C1(CCCC1)C(C)C,CCOC(=O)CNC(=O)C1(CCCC1)C(C)C,"InChI=1/C13H23NO3/c1-4-17-11(15)9-14-12(16)13(10(2)3)7-5-6-8-13/h10H,4-9H2,1-3H3,(H,14,16)",C13H23NO3,,,,,,WLBAKXAIXDYCQL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.712,260-202-1,56471-41-1,Ethyl N-[[1-(1-methylpropyl)cycloheptyl]carbonyl]glycinate,ethyl N-[(1-sec-butylcycloheptyl)carbonyl]glycinate,CCOC(=O)CNC(=O)C1(CCCCCC1)C(C)CC,CCOC(=O)CNC(=O)C1(CCCCCC1)C(C)CC,"InChI=1/C16H29NO3/c1-4-13(3)16(10-8-6-7-9-11-16)15(19)17-12-14(18)20-5-2/h13H,4-12H2,1-3H3,(H,17,19)",C16H29NO3,,,,,,IQLBHPALSIJIPG-UHFFFAOYSA-N,,,,,,,,,,,
100.036.501,240-168-4,16028-14-1,Thiamine hydrochloride phosphate,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride - phosphoric acid (1:1) hydrochloride",[Cl-].Cl.OP(O)(=O)O.Cc2nc(N)c(C[n+]1csc(CCO)c1C)cn2,[Cl-].Cl.OP(O)(=O)O.Cc2nc(N)c(C[n+]1csc(CCO)c1C)cn2,"InChI=1/C12H17N4OS.2ClH.H3O4P/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;;1-5(2,3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H;(H3,1,2,3,4)/q+1;;;/p-1",C12H18N4O4PS.ClH.Cl,,,,,,MZNQVFULLGBPJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.504,240-172-6,16034-25-6,"6-(diethylamino)-1,3,5-triazine-2,4(1H,3H)-dithione","6-(diethylamino)-1,3,5-triazine-2,4(1H,3H)-dithione",CCN(CC)C1=NC(=S)NC(=S)N1,CCN(CC)C1=NC(=S)NC(=S)N1,"InChI=1/C7H12N4S2/c1-3-11(4-2)5-8-6(12)10-7(13)9-5/h3-4H2,1-2H3,(H2,8,9,10,12,13)",C7H12N4S2,,,,,,KRBGYJXDLGSDEX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.511,240-179-4,16039-54-6,Cobalt dilactate,cobalt(2+) bis(2-hydroxypropanoate),[Co+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Co+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Co/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C6H10CoO6,,,,,,VPUKOWSPRKCWBV-UHFFFAOYSA-L,,,,,,,,,,,
100.036.513,240-182-0,16039-56-8,Manganese dilactate,manganese(2+) bis(2-hydroxypropanoate),[Mn+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Mn+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Mn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C6H10MnO6,,,,,,KSNGEYQWLMRSIR-UHFFFAOYSA-L,,,,,,,,,,,
100.036.516,240-185-7,16044-24-9,"Dimethyl[4-[4-(dimethylamino)-a-phenylbenzylidene]-2,5-cyclohexadien-1-ylidene]ammonium hydrogen sulphate","N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydrogen sulfate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.[O-]S(=O)(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.[O-]S(=O)(=O)[O-],"InChI=1/C23H25N2.H2O4S/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-5(2,3)4/h5-17H,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C23H25N2.HO4S,,,,,,VUFBTYDTQCZLCG-UHFFFAOYSA-L,,,,,,,,,,,
100.036.527,240-197-2,16051-77-7,Isosorbide mononitrate,"1,4:3,6-dianhydro-5-O-nitro-D-glucitol",O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],"InChI=1/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2",C6H9NO6,,,,,,YWXYYJSYQOXTPL-SLPGGIOYSA-N,,,,,,,,,,,
100.036.528,240-198-8,16052-06-5,4-(2-hydroxyethyl)-1-piperazinepropanesulphonic acid,3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid,OCCN1CCN(CCCS(=O)(=O)O)CC1,OCCN1CCN(CCCS(=O)(=O)O)CC1,"InChI=1/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)",C9H20N2O4S,,,,,,OWXMKDGYPWMGEB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.529,240-199-3,16052-40-7,"[1R-(1a,2ß,5a)]-2-(isopropyl)-5-methylcyclohexanecarboxylic acid",2-isopropyl-5-methylcyclohexanecarboxylic acid,CC(C)C1CCC(C)CC1C(=O)O,CC(C)C1CCC(C)CC1C(=O)O,"InChI=1/C11H20O2/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)",C11H20O2,,,,,,MNVSUVYRIVXDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.530,240-200-7,16052-42-9,"[1S-(1a,2ß,4ß)]-2-chloro-1-isopropyl-4-methylcyclohexane",2-chloro-1-isopropyl-4-methylcyclohexane,CC(C)C1CCC(C)CC1Cl,CC(C)C1CCC(C)CC1Cl,"InChI=1/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3",C10H19Cl,,,,,,OMLOJNNKKPNVKN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.531,240-201-2,16055-33-7,1-ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide,"1-ethyl-2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium iodide",[I-].CC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2C,[I-].CC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2C,"InChI=1/C20H19N2S.HI/c1-3-22-16(13-12-15-8-4-5-9-17(15)22)14-20-21(2)18-10-6-7-11-19(18)23-20;/h4-14H,3H2,1-2H3;1H/q+1;/p-1",C20H19N2S.I,,,,,,WXXIRKQQOXTYSK-UHFFFAOYSA-M,,,,,,,,,,,
100.036.535,240-205-4,16058-17-6,"2-dodecyl-4,5-dihydro-1H-imidazole-1-ethanol","2-(2-dodecyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCCCCCCC1=NCCN1CCO,CCCCCCCCCCCCC1=NCCN1CCO,"InChI=1/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-18-13-14-19(17)15-16-20/h20H,2-16H2,1H3",C17H34N2O,,,,,,IGRVZEVKOQUHMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.339,264-193-5,63451-31-0,"Calcium 5,5'-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bissalicylate (2:3)","calcium 5,5'-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bissalicylate (2:3)",[CaH2].[CaH2].OC(=O)C1=CC(=C(c2ccc(O)c(c2)C(=O)[O-])c3ccc(O)c(c3)C(=O)[O-])C=CC1=O.OC(=O)C4=CC(=C(c5ccc(O)c(c5)C(=O)[O-])c6ccc(O)c(c6)C(=O)[O-])C=CC4=O.OC(=O)C7=CC(=C(c8ccc(O)c(c8)C(=O)[O-])c9ccc(O)c(c9)C(=O)[O-])C=CC7=O,[CaH2].[CaH2].OC(=O)C1=CC(=C(c2ccc(O)c(c2)C(=O)[O-])c3ccc(O)c(c3)C(=O)[O-])C=CC1=O.OC(=O)C4=CC(=C(c5ccc(O)c(c5)C(=O)[O-])c6ccc(O)c(c6)C(=O)[O-])C=CC4=O.OC(=O)C7=CC(=C(c8ccc(O)c(c8)C(=O)[O-])c9ccc(O)c(c9)C(=O)[O-])C=CC7=O,"InChI=1/3C22H14O9.2Ca.4H/c3*23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;;;;/h3*1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);;;;;;/q;;;2*+2;;;;/p-6/r3C22H14O9.2CaH2/c3*23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;/h3*1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);2*1H2/q;;;2*+2/p-6",C22H14O9.3/2Ca,,,,,,LWKDIGHPTQMAKL-UHFFFAOYSA-H,,,,,,,,,,,
100.058.346,264-200-1,63451-42-3,"9,10-dihydro-9,9-dimethyl-2-(1-methylethyl)acridine","2-isopropyl-9,9-dimethyl-9,10-dihydroacridine",CC(C)c1ccc2Nc3ccccc3C(C)(C)c2c1,CC(C)c1ccc2Nc3ccccc3C(C)(C)c2c1,"InChI=1/C18H21N/c1-12(2)13-9-10-17-15(11-13)18(3,4)14-7-5-6-8-16(14)19-17/h5-12,19H,1-4H3",C18H21N,,,,,,VHXQUJDDGXZCDP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.350,264-204-3,63451-52-5,Bis(1-methyltridecyl)hydroquinone,"2,3-bis(1-methyltridecyl)benzene-1,4-diol",CCCCCCCCCCCCC(C)c1c(O)ccc(O)c1C(C)CCCCCCCCCCCC,CCCCCCCCCCCCC(C)c1c(O)ccc(O)c1C(C)CCCCCCCCCCCC,"InChI=1/C34H62O2/c1-5-7-9-11-13-15-17-19-21-23-25-29(3)33-31(35)27-28-32(36)34(33)30(4)26-24-22-20-18-16-14-12-10-8-6-2/h27-30,35-36H,5-26H2,1-4H3",C34H62O2,,,,,,DYMGYNNPBKCPPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.353,264-208-5,63453-81-6,Ammonium naphthalenesulphonate,ammonium naphthalene-1-sulfonate,[NH4+].[O-]S(=O)(=O)c1cccc2ccccc12,[NH4+].[O-]S(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.H3N/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);1H3",C10H8O3S.H3N,,,,,,FWDSBAGKRBHRJH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.354,264-209-0,63457-22-7,10-(3-chloropropyl)-10H-phenothiazine-2-carbonitrile,10-(3-chloropropyl)-10H-phenothiazine-2-carbonitrile,ClCCCN1c2ccccc2Sc3ccc(cc13)C#N,ClCCCN1c2ccccc2Sc3ccc(cc13)C#N,"InChI=1/C16H13ClN2S/c17-8-3-9-19-13-4-1-2-5-15(13)20-16-7-6-12(11-18)10-14(16)19/h1-2,4-7,10H,3,8-9H2",C16H13ClN2S,,,,,,PCKXGHYLFFWXAN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.875,266-983-5,67724-41-8,3-[tris(2-ethoxyethoxy)silyl]propanethiol,3-[tris(2-ethoxyethoxy)silyl]propane-1-thiol,CCOCCO[Si](CCCS)(OCCOCC)OCCOCC,CCOCCO[Si](CCCS)(OCCOCC)OCCOCC,"InChI=1/C15H34O6SSi/c1-4-16-8-11-19-23(15-7-14-22,20-12-9-17-5-2)21-13-10-18-6-3/h22H,4-15H2,1-3H3",C15H34O6SSi,,,,,,OMMHJLCBYPEZEV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.882,266-990-3,67746-31-0,4-methyl-2-propylhex-2-en-1-ol,4-methyl-2-propylhex-2-en-1-ol,CCC(C)C=C(CCC)CO,CCC(C)C=C(CCC)CO,"InChI=1/C10H20O/c1-4-6-10(8-11)7-9(3)5-2/h7,9,11H,4-6,8H2,1-3H3",C10H20O,,,,,,CBRXKJQGYHDDIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.883,266-991-9,67746-32-1,4-methyl-2-propylhex-2-enyl acetate,4-methyl-2-propylhex-2-en-1-yl acetate,CCC(C)C=C(COC(C)=O)CCC,CCC(C)C=C(COC(C)=O)CCC,"InChI=1/C12H22O2/c1-5-7-12(8-10(3)6-2)9-14-11(4)13/h8,10H,5-7,9H2,1-4H3",C12H22O2,,,,,,JSDULCOZENPTIN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.884,266-992-4,67747-01-7,"N-[2-(2,4,6-trichlorophenoxy)ethyl]propylamine","N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-1-amine",CCCNCCOc1c(Cl)cc(Cl)cc1Cl,CCCNCCOc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C11H14Cl3NO/c1-2-3-15-4-5-16-11-9(13)6-8(12)7-10(11)14/h6-7,15H,2-5H2,1H3",C11H14Cl3NO,,,,,,CLFQSOIBYICELN-UHFFFAOYSA-N,Positive,ET200101|ET200102|ET200103|ET200104|ET200105,[M+H]+,HCD10|HCD20|HCD30|HCD50|HCD70,282.0212:86.0964:72.0807|282.0213:86.0964:72.0807|282.0212:86.0964:72.0807|86.0964:58.0651:72.0807|58.0651:86.0964:166.9216,Eawag_Additional_Specs,,,,,
100.060.888,266-997-1,67749-14-8,"Ethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","ethyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",CCOS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,CCOS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,"InChI=1/C12H10N2O4S/c1-2-18-19(16,17)11-5-3-4-9-8(11)6-7-10(14-13)12(9)15/h3-7H,2H2,1H3",C12H10N2O4S,,,,,,XIIGIARVVBLGRY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.892,267-001-8,67759-31-3,Dipentaerythritol diacetate,"oxybis-2,2-bis(hydroxymethyl)propane-3,1-diyl diacetate",CC(=O)OCC(CO)(CO)COCC(CO)(CO)COC(=O)C,CC(=O)OCC(CO)(CO)COCC(CO)(CO)COC(=O)C,"InChI=1/C14H26O9/c1-11(19)22-9-13(3-15,4-16)7-21-8-14(5-17,6-18)10-23-12(2)20/h15-18H,3-10H2,1-2H3",C14H26O9,,,,,,BERBOYZVSKAGFH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.761,260-256-6,56548-81-3,"3,3'-[1,3-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulpho-3,1-phenylene)azo]]bis[5-amino-4-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic] acid","3,3'-{1,3-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)diazene-2,1-diyl]}bis{5-amino-4-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid}",O=S(O)(=O)c%11cc9cc(c(N=Nc1cc(ccc1S(=O)(O)=O)Nc2nc(nc(Cl)n2)Nc8cccc(Nc7nc(Nc6ccc(c(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)S(=O)(O)=O)c(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O)c6)S(O)(=O)=O)nc(Cl)n7)c8)c(O)c9c(N)c%11N=Nc%10ccc(cc%10)S(O)(=O)=O)S(O)(=O)=O,O=S(O)(=O)c%11cc9cc(c(N=Nc1cc(ccc1S(=O)(O)=O)Nc2nc(nc(Cl)n2)Nc8cccc(Nc7nc(Nc6ccc(c(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)S(=O)(O)=O)c(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O)c6)S(O)(=O)=O)nc(Cl)n7)c8)c(O)c9c(N)c%11N=Nc%10ccc(cc%10)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C56H40Cl2N20O26S8/c57-51-65-53(69-55(67-51)63-29-8-14-35(107(87,88)89)33(21-29)73-77-47-39(111(99,100)101)18-23-16-37(109(93,94)95)45(43(59)41(23)49(47)79)75-71-25-4-10-31(11-5-25)105(81,82)83)61-27-2-1-3-28(20-27)62-54-66-52(58)68-56(70-54)64-30-9-15-36(108(90,91)92)34(22-30)74-78-48-40(112(102,103)104)19-24-17-38(110(96,97)98)46(44(60)42(24)50(48)80)76-72-26-6-12-32(13-7-26)106(84,85)86/h1-22,79-80H,59-60H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H2,61,63,65,67,69)(H2,62,64,66,68,70)",C56H40Cl2N20O26S8,,,,,,GOAZAAHFBGSCRS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.856,261-461-3,58823-88-4,(carboxylatomethyl)trimethylammonium phosphate,-,C[N+](C)(C)CC(=O)[O-].[O-]P(=O)([O-])[O-],C[N+](C)(C)CC(=O)[O-].[O-]P(=O)([O-])[O-],"InChI=1/C5H11NO2.H3O4P/c1-6(2,3)4-5(7)8;1-5(2,3)4/h4H2,1-3H3;(H3,1,2,3,4)/p-3",C5H11NO2.H3O4P,,,,,,RDQMORJTLICVPR-UHFFFAOYSA-K,,,,,,,,,,,
100.055.858,261-463-4,58823-95-3,"D-Glucose, 6-(dihydrogen phosphate), barium salt","[6-O-(phosphono-kappa~2~O,O')hexopyranosato(2-)]barium",OC1OC(COP2(=O)O[Ba]O2)C(O)C(O)C1O,OC1OC(COP2(=O)O[Ba]O2)C(O)C(O)C1O,"InChI=1/C6H13O9P.Ba/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+2/p-2/rC6H11BaO9P/c8-3-2(1-13-17(12)15-7-16-17)14-6(11)5(10)4(3)9/h2-6,8-11H,1H2",C6H13O9P.xBa,,,,,,FFNFQIZRCUHVAP-UHFFFAOYSA-L,,,,,,,,,,,
100.055.859,261-465-5,58828-53-8,Bromopentakis(bromomethyl)benzene,"1-bromo-2,3,4,5,6-pentakis(bromomethyl)benzene",BrCc1c(Br)c(CBr)c(CBr)c(CBr)c1CBr,BrCc1c(Br)c(CBr)c(CBr)c(CBr)c1CBr,InChI=1/C11H10Br6/c12-1-6-7(2-13)9(4-15)11(17)10(5-16)8(6)3-14/h1-5H2,C11H10Br6,,,,,,FJBNKINHDKQRFO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.870,261-477-0,58872-88-1,"4,7,10,13-tetraoxatetradecan-2-ol","2,5,8,11-tetraoxatetradecan-13-ol",COCCOCCOCCOCC(C)O,COCCOCCOCCOCC(C)O,"InChI=1/C10H22O5/c1-10(11)9-15-8-7-14-6-5-13-4-3-12-2/h10-11H,3-9H2,1-2H3",C10H22O5,,,,,,IXMBFXZUCVOLMS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.874,261-481-2,58880-37-8,1-(4-chlorophenyl)cyclohexanecarboxylic acid,1-(4-chlorophenyl)cyclohexanecarboxylic acid,OC(=O)C1(CCCCC1)c2ccc(Cl)cc2,OC(=O)C1(CCCCC1)c2ccc(Cl)cc2,"InChI=1/C13H15ClO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)",C13H15ClO2,,,,,,UPNXUJXIIZGXLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.508,263-278-4,61855-77-4,1-methoxymethylnorborn-5-en-2-one,1-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one,COCC12CC(CC1=O)C=C2,COCC12CC(CC1=O)C=C2,"InChI=1/C9H12O2/c1-11-6-9-3-2-7(5-9)4-8(9)10/h2-3,7H,4-6H2,1H3",C9H12O2,,,,,,FDMWTALBJHAXIG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.511,263-282-6,61886-17-7,1-benzyl-4-phenylpiperidine-4-carboxylic acid,1-benzyl-4-phenylpiperidine-4-carboxylic acid,OC(=O)C1(CCN(Cc2ccccc2)CC1)c3ccccc3,OC(=O)C1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C19H21NO2/c21-18(22)19(17-9-5-2-6-10-17)11-13-20(14-12-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,21,22)",C19H21NO2,,,,,,RYTBNRKHWAWLPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.514,263-285-2,61886-21-3,4-chloro-2-(trifluoromethyl)benzenediazonium,4-chloro-2-(trifluoromethyl)benzenediazonium,FC(F)(F)c1cc(Cl)ccc1[N+]#N,FC(F)(F)c1cc(Cl)ccc1[N+]#N,"InChI=1/C7H3ClF3N2/c8-4-1-2-6(13-12)5(3-4)7(9,10)11/h1-3H/q+1",C7H3ClF3N2,,,,,,KBKJFUHYRGCSQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.026,263-848-2,63089-83-8,"2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4,5-dihydro-4-(1-naphthylazo)-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide","2-(3-tert-butyl-4-hydroxyphenoxy)-N-(4-chloro-3-{[4-(1-naphthyldiazenyl)-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)tetradecanamide",CC(C)(C)c1cc(ccc1O)OC(CCCCCCCCCCCC)C(=O)Nc6cc(N/C5=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C5N=Nc4cccc3ccccc34)c(Cl)cc6,CC(C)(C)c1cc(ccc1O)OC(CCCCCCCCCCCC)C(=O)Nc6cc(N/C5=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C5N=Nc4cccc3ccccc34)c(Cl)cc6,"InChI=1/C49H54Cl4N6O4/c1-5-6-7-8-9-10-11-12-13-14-22-43(63-34-24-26-42(60)36(30-34)49(2,3)4)47(61)54-33-23-25-37(51)41(29-33)55-46-44(57-56-40-21-17-19-31-18-15-16-20-35(31)40)48(62)59(58-46)45-38(52)27-32(50)28-39(45)53/h15-21,23-30,43-44,60H,5-14,22H2,1-4H3,(H,54,61)(H,55,58)",C49H54Cl4N6O4,,,,,,RHQHOPSBCPLMEI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.031,263-854-5,63095-34-1,3-(10-undecenyloxy)propiononitrile,3-(undec-10-en-1-yloxy)propanenitrile,C=CCCCCCCCCCOCCC#N,C=CCCCCCCCCCOCCC#N,"InChI=1/C14H25NO/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15/h2H,1,3-11,13-14H2",C14H25NO,,,,,,AWVSLVUVZWTQDK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.035,263-858-7,63105-53-3,"Methyl 3,4-dichloro-5-nitrobenzoate","methyl 3,4-dichloro-5-nitrobenzoate",COC(=O)c1cc(Cl)c(Cl)c(c1)[N+](=O)[O-],COC(=O)c1cc(Cl)c(Cl)c(c1)[N+](=O)[O-],"InChI=1/C8H5Cl2NO4/c1-15-8(12)4-2-5(9)7(10)6(3-4)11(13)14/h2-3H,1H3",C8H5Cl2NO4,,,,,,XHIKDBWLWFGQEC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.036,263-859-2,63105-54-4,"Methyl 2,3-dichloro-5-nitrobenzoate","methyl 2,3-dichloro-5-nitrobenzoate",COC(=O)c1cc(cc(Cl)c1Cl)[N+](=O)[O-],COC(=O)c1cc(cc(Cl)c1Cl)[N+](=O)[O-],"InChI=1/C8H5Cl2NO4/c1-15-8(12)5-2-4(11(13)14)3-6(9)7(5)10/h2-3H,1H3",C8H5Cl2NO4,,,,,,IIOLRSLJSWKIEX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.038,263-861-3,63105-61-3,"Methyl 2,5-dichloro-4-nitrobenzoate","methyl 2,5-dichloro-4-nitrobenzoate",COC(=O)c1cc(Cl)c(cc1Cl)[N+](=O)[O-],COC(=O)c1cc(Cl)c(cc1Cl)[N+](=O)[O-],"InChI=1/C8H5Cl2NO4/c1-15-8(12)4-2-6(10)7(11(13)14)3-5(4)9/h2-3H,1H3",C8H5Cl2NO4,,,,,,GTTBQPFPHTXRSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.054,263-879-1,63123-35-3,Disodium 3-(2-hydroxyphenyl)-8-sulphonatobenzo[f]quinoline-1-carboxylate,disodium 3-(2-hydroxyphenyl)-8-sulfonatobenzo[f]quinoline-1-carboxylate,[Na+].[Na+].Oc1ccccc1c2cc(C(=O)[O-])c3c(ccc4cc(ccc34)S(=O)(=O)[O-])n2,[Na+].[Na+].Oc1ccccc1c2cc(C(=O)[O-])c3c(ccc4cc(ccc34)S(=O)(=O)[O-])n2,"InChI=1/C20H13NO6S.2Na/c22-18-4-2-1-3-14(18)17-10-15(20(23)24)19-13-7-6-12(28(25,26)27)9-11(13)5-8-16(19)21-17;;/h1-10,22H,(H,23,24)(H,25,26,27);;/q;2*+1/p-2",C20H13NO6S.2Na,,,,,,UNOJQQHMBPNVTE-UHFFFAOYSA-L,,,,,,,,,,,
100.054.591,260-070-5,56235-92-8,Bis(2-ethylhexyl) malate,bis(2-ethylhexyl) malate,CCCCC(CC)COC(=O)CC(O)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CC(O)C(=O)OCC(CC)CCCC,"InChI=1/C20H38O5/c1-5-9-11-16(7-3)14-24-19(22)13-18(21)20(23)25-15-17(8-4)12-10-6-2/h16-18,21H,5-15H2,1-4H3",C20H38O5,,,,,,ZDVFAKWEMOAQQR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.411,252-168-1,34719-63-6,"Heptadecane-1,2-diol","heptadecane-1,2-diol",CCCCCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCCCCC(O)CO,"InChI=1/C17H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18/h17-19H,2-16H2,1H3",C17H36O2,,,,,,FDEPHESLFILWER-UHFFFAOYSA-N,,,,,,,,,,,
100.047.424,252-182-8,34745-96-5,"3-[2-(dimethylamino)ethoxy]-N,N-dimethylpropylamine","3-[2-(dimethylamino)ethoxy]-N,N-dimethylpropan-1-amine",CN(C)CCCOCCN(C)C,CN(C)CCCOCCN(C)C,"InChI=1/C9H22N2O/c1-10(2)6-5-8-12-9-7-11(3)4/h5-9H2,1-4H3",C9H22N2O,,,,,,QEOGKTCJGDHZDW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.426,252-184-9,34748-63-5,"5-(ethoxymethyl)octahydro-4,7-methano-1H-inden-5-ol","5-(ethoxymethyl)octahydro-1H-4,7-methanoinden-5-ol",CCOCC1(O)CC2CC1C3CCCC23,CCOCC1(O)CC2CC1C3CCCC23,"InChI=1/C13H22O2/c1-2-15-8-13(14)7-9-6-12(13)11-5-3-4-10(9)11/h9-12,14H,2-8H2,1H3",C13H22O2,,,,,,AZHWRHJDAMOKPR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.431,252-190-1,34756-16-6,5-methylfuran-2-propionaldehyde,3-(5-methyl-2-furyl)propanal,Cc1oc(CCC=O)cc1,Cc1oc(CCC=O)cc1,"InChI=1/C8H10O2/c1-7-4-5-8(10-7)3-2-6-9/h4-6H,2-3H2,1H3",C8H10O2,,,,,,WPBUABKBDHGOAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.441,252-202-5,34764-02-8,"1,1-diethoxydecane","1,1-diethoxydecane",CCCCCCCCCC(OCC)OCC,CCCCCCCCCC(OCC)OCC,"InChI=1/C14H30O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h14H,4-13H2,1-3H3",C14H30O2,,,,,,GDDPLWAEEWIQKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.279,264-127-5,63400-12-4,Zinc pentadecanoate,zinc dipentadecanoate,[Zn+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C15H30O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2",C15H30O2.1/2Zn,,,,,,KJXJUNLZVMSVRI-UHFFFAOYSA-L,,,,,,,,,,,
100.058.285,264-133-8,63422-71-9,"(R)-[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylacetic acid","{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(phenyl)acetic acid",CCN1CCN(C(=O)N[C@@H](C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(=O)N[C@@H](C(=O)O)c2ccccc2)C(=O)C1=O,"InChI=1/C15H17N3O5/c1-2-17-8-9-18(13(20)12(17)19)15(23)16-11(14(21)22)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,16,23)(H,21,22)",C15H17N3O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8234,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.285,JQEHQELQPPKXRR-LLVKDONJSA-N,,,,,,,,,,,
100.058.292,264-141-1,63430-54-6,"2'-anilino-6'-[ethyl(p-tolyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-6'-[ethyl(4-methylphenyl)amino]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(Nc5ccccc5)cc4C36OC(=O)c7ccccc67)c2,CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(Nc5ccccc5)cc4C36OC(=O)c7ccccc67)c2,"InChI=1/C35H28N2O3/c1-3-37(26-16-13-23(2)14-17-26)27-18-19-30-33(22-27)39-32-20-15-25(36-24-9-5-4-6-10-24)21-31(32)35(30)29-12-8-7-11-28(29)34(38)40-35/h4-22,36H,3H2,1-2H3",C35H28N2O3,,,,,,KSQRPGOLPPYMJS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.303,264-153-7,63449-52-5,"Stilbene-4,4'-diyl diacetate","ethene-1,2-diyldi-4,1-phenylene diacetate",CC(=O)Oc1ccc(\\C=C\\c2ccc(OC(=O)C)cc2)cc1,CC(=O)Oc1ccc(\C=C\c2ccc(OC(=O)C)cc2)cc1,"InChI=1/C18H16O4/c1-13(19)21-17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)22-14(2)20/h3-12H,1-2H3",C18H16O4,,,,,,PJNPBRIHJXMRDS-ONEGZZNKSA-N,,,,,,,,,,,
100.058.304,264-154-2,63449-64-9,"(Z,Z)-1,1'-[ethylidenebis(oxy)]di(hex-3-ene)","1,1'-[ethane-1,1-diylbis(oxy)]bis(hex-3-ene)",CC\\C=C/CCOC(C)OCC\\C=C/CC,CC\C=C/CCOC(C)OCC\C=C/CC,"InChI=1/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h6-9,14H,4-5,10-13H2,1-3H3",C14H26O2,,,,,,KCPFRJBAXWUXIG-VRHVFUOLSA-N,,,,,,,,,,,
100.058.306,264-156-3,63449-72-9,Bis(diisopropylammonium) sulphate,bis(N-isopropylpropan-2-aminium) sulfate,CC(C)[NH2+]C(C)C.CC(C)[NH2+]C(C)C.[O-]S(=O)(=O)[O-],CC(C)[NH2+]C(C)C.CC(C)[NH2+]C(C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C6H15N.H2O4S/c2*1-5(2)7-6(3)4;1-5(2,3)4/h2*5-7H,1-4H3;(H2,1,2,3,4)",C6H15N.1/2H2O4S,,,,,,HGOBFCZLUNANLU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.307,264-157-9,63449-87-6,Tributylethylammonium hydroxide,"N,N-dibutyl-N-ethylbutan-1-aminium hydroxide",[OH-].CCCC[N+](CC)(CCCC)CCCC,[OH-].CCCC[N+](CC)(CCCC)CCCC,"InChI=1/C14H32N.H2O/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;/h5-14H2,1-4H3;1H2/q+1;/p-1",C14H32N.HO,,,,,,FYFNFZLMMGXBMT-UHFFFAOYSA-M,,,,,,,,,,,
100.058.308,264-158-4,63449-88-7,1-cyclohexylethyl butyrate,1-cyclohexylethyl butyrate,CCCC(=O)OC(C)C1CCCCC1,CCCC(=O)OC(C)C1CCCCC1,"InChI=1/C12H22O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,FTMSYMOBBRINAR-UHFFFAOYSA-N,,,,,,,,,,,
100.036.542,240-213-8,16068-46-5,"Phosphoric acid, potassium salt",potassium dihydrogen phosphate,[K+].OP(=O)(O)[O-],[K+].OP(=O)(O)[O-],"InChI=1/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",H3O4P.xK,,,,,,GNSKLFRGEWLPPA-UHFFFAOYSA-M,,,,,,,,,,,
100.036.546,240-218-5,16070-12-5,2-(diethylamino)ethyl laurate,2-(diethylamino)ethyl laurate,CCCCCCCCCCCC(=O)OCCN(CC)CC,CCCCCCCCCCCC(=O)OCCN(CC)CC,"InChI=1/C18H37NO2/c1-4-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19(5-2)6-3/h4-17H2,1-3H3",C18H37NO2,,,,,,UNWMSJSGBWRHNY-UHFFFAOYSA-N,,,,,,,,,,,
100.030.517,233-583-7,10247-90-2,Tetraheptylammonium chloride,"N,N,N-triheptylheptan-1-aminium chloride",[Cl-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC,[Cl-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC,"InChI=1/C28H60N.ClH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",C28H60N.Cl,,,,,,VMJQVRWCDVLJSI-UHFFFAOYSA-M,,,,,,,,,,,
100.030.518,233-584-2,10248-55-2,"[1R-(1a,4aß,4ba,10aa)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(isopropyl)phenanthrene-1-carboxylic acid, copper salt","abieta-7,13-dien-18-oic acid",CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)O)C2CC1,CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)O)C2CC1,"InChI=1/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)",C20H30O2.xCu,,,,,,RSWGJHLUYNHPMX-UHFFFAOYSA-N,,,,,,,,,,,
100.030.530,233-597-3,10258-54-5,2-methoxyethyl cyanoacetate,2-methoxyethyl cyanoacetate,COCCOC(=O)CC#N,COCCOC(=O)CC#N,"InChI=1/C6H9NO3/c1-9-4-5-10-6(8)2-3-7/h2,4-5H2,1H3",C6H9NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17029,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.530,SGLKIEOMYXTGBH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.531,233-598-9,10259-22-0,Ethyl m-anisate,ethyl 3-methoxybenzoate,CCOC(=O)c1cccc(OC)c1,CCOC(=O)c1cccc(OC)c1,"InChI=1/C10H12O3/c1-3-13-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3",C10H12O3,,,,,,GSQLMBQLTPEPHD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.537,233-605-5,10265-69-7,Sodium N-phenylglycinate,sodium anilinoacetate,[Na+].[O-]C(=O)CNc1ccccc1,[Na+].[O-]C(=O)CNc1ccccc1,"InChI=1/C8H9NO2.Na/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);/q;+1/p-1",C8H9NO2.Na,,,,,,YEMGQZDWLLBIEY-UHFFFAOYSA-M,,,,,,,,,,,
100.030.550,233-619-1,10273-90-2,3-methyl-2-phenylpyridine,3-methyl-2-phenylpyridine,Cc1cccnc1c2ccccc2,Cc1cccnc1c2ccccc2,"InChI=1/C12H11N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-9H,1H3",C12H11N,,,,,,BJATUPPYBZHEIO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.553,233-622-8,10277-44-8,Dipraseodymium trisulphate,dipraseodymium trisulphate,[Pr+3].[Pr+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Pr+3].[Pr+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/3H2O4S.2Pr/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",H2O4S.2/3Pr,,,,,,HWZAHTVZMSRSJE-UHFFFAOYSA-H,,,,,,,,,,,
100.033.139,236-469-5,13391-15-6,"N,N-bis(2,3-epoxypropyl)cyclohexylamine","N,N-bis(oxiran-2-ylmethyl)cyclohexanamine",C(C1CO1)N(CC2CO2)C3CCCCC3,C(C1CO1)N(CC2CO2)C3CCCCC3,"InChI=1/C12H21NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h10-12H,1-9H2",C12H21NO2,,,,,,CLCWCGOCHZSFQE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.145,236-475-8,13393-71-0,Sodium pentadecyl sulphate,sodium pentadecyl sulfate,[Na+].CCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C15H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1",C15H32O4S.Na,,,,,,SMECTXYFLVLAJE-UHFFFAOYSA-M,,,,,,,,,,,
100.033.148,236-478-4,13395-36-3,"Ethyl 5,5-dimethyl-2,4-dioxohexanoate","ethyl 5,5-dimethyl-2,4-dioxohexanoate",CCOC(=O)C(=O)CC(=O)C(C)(C)C,CCOC(=O)C(=O)CC(=O)C(C)(C)C,"InChI=1/C10H16O4/c1-5-14-9(13)7(11)6-8(12)10(2,3)4/h5-6H2,1-4H3",C10H16O4,,,,,,NIMKIMUBJFWPTD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.150,236-481-0,13395-76-1,"2,3-dimethylcyclohexan-1-one","2,3-dimethylcyclohexanone",CC1CCCC(=O)C1C,CC1CCCC(=O)C1C,"InChI=1/C8H14O/c1-6-4-3-5-8(9)7(6)2/h6-7H,3-5H2,1-2H3",C8H14O,,,,,,OZCVOEUWYVVVME-UHFFFAOYSA-N,,,,,,,,,,,
100.033.160,236-492-0,13402-02-3,Hexadecyl acrylate,hexadecyl acrylate,CCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h4H,2-3,5-18H2,1H3",C19H36O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13590,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.160,PZDUWXKXFAIFOR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.165,236-497-8,13404-22-3,tert-butyl alaninate hydrochloride,tert-butyl alaninate hydrochloride,Cl.CC(N)C(=O)OC(C)(C)C,Cl.CC(N)C(=O)OC(C)(C)C,"InChI=1/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H",C7H15NO2.ClH,,,,,,WIQIWPPQGWGVHD-UHFFFAOYSA-N,,,,,,,,,,,
100.033.173,236-506-5,13413-18-8,Hexaoctyldistannathiane,hexaoctyldistannathiane,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)S[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)S[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC,"InChI=1/6C8H17.S.2Sn/c6*1-3-5-7-8-6-4-2;;;/h6*1,3-8H2,2H3;;;/rC48H102SSn2/c1-7-13-19-25-31-37-43-50(44-38-32-26-20-14-8-2,45-39-33-27-21-15-9-3)49-51(46-40-34-28-22-16-10-4,47-41-35-29-23-17-11-5)48-42-36-30-24-18-12-6/h7-48H2,1-6H3",C48H102SSn2,,,,,,AXIPKWBIXSFROG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.768,260-263-4,56572-86-2,"Phosphoric acid, isodecyl ester",8-methylnonyl dihydrogen phosphate,CC(C)CCCCCCCOP(=O)(O)O,CC(C)CCCCCCCOP(=O)(O)O,"InChI=1/C10H23O4P/c1-10(2)8-6-4-3-5-7-9-14-15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)",-,,,,,,OZFLRNPZLCUVFP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.770,260-266-0,56577-33-4,"(Z,Z)-trideca-7,11-dien-1-yl acetate","trideca-7,11-dien-1-yl acetate",C\\C=C/CC\\C=C/CCCCCCOC(=O)C,C\C=C/CC\C=C/CCCCCCOC(=O)C,"InChI=1/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-4,7-8H,5-6,9-14H2,1-2H3",C15H26O2,,,,,,NHWLOHOBCVRYFC-KPDBFRNYSA-N,,,,,,,,,,,
100.054.774,260-270-2,56585-48-9,"Tetrapotassium 4,4'-carbonylbisphthalate","tetrapotassium 4,4'-carbonyldiphthalate",[K+].[K+].[K+].[K+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],[K+].[K+].[K+].[K+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],"InChI=1/C17H10O9.4K/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4",C17H10O9.4K,,,,,,ZTGFLACFCSNWJK-UHFFFAOYSA-J,,,,,,,,,,,
100.054.776,260-272-3,56586-13-1,2-methylcyclohexanecarboxylic acid,2-methylcyclohexanecarboxylic acid,CC1CCCCC1C(=O)O,CC1CCCCC1C(=O)O,"InChI=1/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)",C8H14O2,,,,,,VSKXJRZPVDLHFY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.777,260-273-9,56593-86-3,2-ethyloctahydro-1-(nitromethylene)-1H-isoindole,2-ethyl-1-(nitromethylene)octahydro-1H-isoindole,[O-][N+](=O)C=C1C2CCCCC2CN1CC,[O-][N+](=O)C=C1C2CCCCC2CN1CC,"InChI=1/C11H18N2O2/c1-2-12-7-9-5-3-4-6-10(9)11(12)8-13(14)15/h8-10H,2-7H2,1H3",C11H18N2O2,,,,,,NGFPWRMWKFFWRD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.793,260-291-7,56625-54-8,2-ethyloctahydro-1H-isoindole-1-methylamine,1-(2-ethyloctahydro-1H-isoindol-1-yl)methanamine,CCN1CC2CCCCC2C1CN,CCN1CC2CCCCC2C1CN,"InChI=1/C11H22N2/c1-2-13-8-9-5-3-4-6-10(9)11(13)7-12/h9-11H,2-8,12H2,1H3",C11H22N2,,,,,,YYSSMFOAHVIONA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.802,260-302-5,56634-96-9,"4-cyano-2,6-diiodophenyl heptanoate","4-cyano-2,6-diiodophenyl heptanoate",CCCCCCC(=O)Oc1c(I)cc(cc1I)C#N,CCCCCCC(=O)Oc1c(I)cc(cc1I)C#N,"InChI=1/C14H15I2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3",C14H15I2NO2,,,,,,GIOFUTQKURPXPS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.508,252-275-3,34893-50-0,"2,5-dimethylpiperidine","2,5-dimethylpiperidine",CC1CCC(C)NC1,CC1CCC(C)NC1,"InChI=1/C7H15N/c1-6-3-4-7(2)8-5-6/h6-8H,3-5H2,1-2H3",C7H15N,,,,,,ICBFNPPCXPMCBP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.526,252-295-2,34933-06-7,"3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one","5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate",COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C,COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C,"InChI=1/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3",C22H26N2O4S,,,,,,HSUGRBWQSSZJOP-UHFFFAOYSA-N,Positive,EQ301701|EQ301702|EQ301703|EQ301704|EQ301705|EQ301706,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,415.169:178.0321:370.1112|178.0322:310.0899:415.1689|178.0322:150.0374:72.0808|178.0323:150.0374:109.0108|150.0374:109.0108:178.0323|109.0108:150.0374:178.0323,Eawag,,,,,
100.058.359,264-214-8,63467-00-5,1-hydroxy-4-[(2-methoxyethyl)amino]anthraquinone,"1-hydroxy-4-[(2-methoxyethyl)amino]-9,10-anthraquinone",COCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,COCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H15NO4/c1-22-9-8-18-12-6-7-13(19)15-14(12)16(20)10-4-2-3-5-11(10)17(15)21/h2-7,18-19H,8-9H2,1H3",C17H15NO4,,,,,,ANAJKKQWLIBRSM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.363,264-219-5,63467-06-1,"2-[(4-chloro-2-nitrophenyl)azo]-5,5-dimethylcyclohexane-1,3-dione","2-[(4-chloro-2-nitrophenyl)diazenyl]-5,5-dimethylcyclohexane-1,3-dione",O=C2CC(C)(C)CC(=O)C2N=Nc1ccc(Cl)cc1[N+]([O-])=O,O=C2CC(C)(C)CC(=O)C2N=Nc1ccc(Cl)cc1[N+]([O-])=O,"InChI=1/C14H14ClN3O4/c1-14(2)6-11(19)13(12(20)7-14)17-16-9-4-3-8(15)5-10(9)18(21)22/h3-5,13H,6-7H2,1-2H3",C14H14ClN3O4,,,,,,YQEWWWGIXNSFGR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.369,264-225-8,63467-13-0,N-[2-[[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]ethyl]phthalimide,"2-{2-[(3-methyl-4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl)amino]ethyl}-1H-isoindole-1,3(2H)-dione",O=C5c1ccccc1C(=O)N5CCNc4ccc(N=Nc2nc3ccc(cc3s2)S(C)(=O)=O)c(C)c4,O=C5c1ccccc1C(=O)N5CCNc4ccc(N=Nc2nc3ccc(cc3s2)S(C)(=O)=O)c(C)c4,"InChI=1/C25H21N5O4S2/c1-15-13-16(26-11-12-30-23(31)18-5-3-4-6-19(18)24(30)32)7-9-20(15)28-29-25-27-21-10-8-17(36(2,33)34)14-22(21)35-25/h3-10,13-14,26H,11-12H2,1-2H3",C25H21N5O4S2,,,,,,GBVCFNGCJAGIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.928,267-041-6,67763-18-2,Bis(16-methylheptadecyl) malate,bis(16-methylheptadecyl) malate,CC(C)CCCCCCCCCCCCCCCOC(=O)CC(O)C(=O)OCCCCCCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCCCCCCOC(=O)CC(O)C(=O)OCCCCCCCCCCCCCCCC(C)C,"InChI=1/C40H78O5/c1-36(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-44-39(42)35-38(41)40(43)45-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-37(3)4/h36-38,41H,5-35H2,1-4H3",C40H78O5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17702,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.928,HGKOWIQVWAQWDS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.057,263-882-8,63123-39-7,S-benzothiazol-2-ylcarbamoylmethyl thioacetate,"S-[2-amino-1-(1,3-benzothiazol-2-yl)-2-oxoethyl] ethanethioate",CC(=O)S[C@@H](C(=O)N)c1nc2ccccc2s1,CC(=O)S[C@@H](C(=O)N)c1nc2ccccc2s1,"InChI=1/C11H10N2O2S2/c1-6(14)16-9(10(12)15)11-13-7-4-2-3-5-8(7)17-11/h2-5,9H,1H3,(H2,12,15)",C11H10N2O2S2,,,,,,VVLBVJCEGDYASC-VIFPVBQESA-N,,,,,,,,,,,
100.058.058,263-883-3,63123-41-1,3-(2-methoxyethyl)-2-methyl-5-phenylbenzoxazolium p-toluenesulphonate,"3-(2-methoxyethyl)-2-methyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",COCC[n+]1c(C)oc2ccc(cc12)c3ccccc3.Cc4ccc(cc4)S(=O)(=O)[O-],COCC[n+]1c(C)oc2ccc(cc12)c3ccccc3.Cc4ccc(cc4)S(=O)(=O)[O-],"InChI=1/C17H18NO2.C7H8O3S/c1-13-18(10-11-19-2)16-12-15(8-9-17(16)20-13)14-6-4-3-5-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,12H,10-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C17H18NO2.C7H7O3S,,,,,,HMHRSYYUNKHLLK-UHFFFAOYSA-M,,,,,,,,,,,
100.058.063,263-889-6,63131-29-3,Methyl 4-fluorobenzoylacetate,methyl 3-(4-fluorophenyl)-3-oxopropanoate,COC(=O)CC(=O)c1ccc(F)cc1,COC(=O)CC(=O)c1ccc(F)cc1,"InChI=1/C10H9FO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3",C10H9FO3,,,,,,HGLVYXXPRSNKQN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.415,265-376-2,65072-55-1,2-bromo-7H-benz[de]anthracen-7-one,2-bromo-7H-benzo[de]anthracen-7-one,Brc1cc2c3ccccc3C(=O)c4cccc(c1)c24,Brc1cc2c3ccccc3C(=O)c4cccc(c1)c24,InChI=1/C17H9BrO/c18-11-8-10-4-3-7-14-16(10)15(9-11)12-5-1-2-6-13(12)17(14)19/h1-9H,C17H9BrO,,,,,,JLPIRWUZYOQKQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.417,265-378-3,65078-77-5,"2,3-dichloro-6-nitroaniline","2,3-dichloro-6-nitroaniline",Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-],Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-],"InChI=1/C6H4Cl2N2O2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,9H2",C6H4Cl2N2O2,,,,,,RDCOVUDTFKIURA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.418,265-379-9,65086-45-5,Potassium 3-mercaptopropionate,potassium 3-sulfanylpropanoate,[K+].[O-]C(=O)CCS,[K+].[O-]C(=O)CCS,"InChI=1/C3H6O2S.K/c4-3(5)1-2-6;/h6H,1-2H2,(H,4,5);/q;+1/p-1",C3H6O2S.K,,,,,,LHXYIRBTCDIVKE-UHFFFAOYSA-M,,,,,,,,,,,
100.059.419,265-380-4,65086-46-6,"1,1'-(decylimino)bispropan-2-ol","1,1'-(decylimino)dipropan-2-ol",CCCCCCCCCCN(CC(C)O)CC(C)O,CCCCCCCCCCN(CC(C)O)CC(C)O,"InChI=1/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-17(13-15(2)18)14-16(3)19/h15-16,18-19H,4-14H2,1-3H3",C16H35NO2,,,,,,BVNRDHVWLFPWFU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.420,265-382-5,65086-47-7,3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]propiononitrile,3-[{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(2-hydroxyethyl)amino]propanenitrile,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCC#N)CCO)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCC#N)CCO)[N+]([O-])=O,"InChI=1/C18H18ClN5O3/c1-13-11-14(23(9-10-25)8-2-7-20)3-5-17(13)21-22-18-6-4-15(24(26)27)12-16(18)19/h3-6,11-12,25H,2,8-10H2,1H3",C18H18ClN5O3,,,,,,QDBJRXJHWACKOF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.421,265-383-0,65086-70-6,"1,1'-(octadecadienylimino)bispropan-2-ol","1,1'-(octadeca-1,3-dien-1-ylimino)dipropan-2-ol",CC(O)CN(C=CC=CCCCCCCCCCCCCCC)CC(O)C,CC(O)CN(C=CC=CCCCCCCCCCCCCCC)CC(O)C,"InChI=1/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h17-20,23-24,26-27H,4-16,21-22H2,1-3H3",C24H47NO2,,,,,,KRJCMKQBBTXQDS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.423,265-385-1,65086-89-7,"Diphenyl [carbonylbis(imino-4,1-phenylenemethylene-4,1-phenylene)]biscarbamate",phenyl [4-(4-{[(4-{4-[(phenoxycarbonyl)amino]benzyl}phenyl)carbamoyl]amino}benzyl)phenyl]carbamate,O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccccc3)cc2)cc1)Nc4ccc(Cc5ccc(NC(=O)Oc6ccccc6)cc5)cc4,O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccccc3)cc2)cc1)Nc4ccc(Cc5ccc(NC(=O)Oc6ccccc6)cc5)cc4,"InChI=1/C41H34N4O5/c46-39(42-33-19-11-29(12-20-33)27-31-15-23-35(24-16-31)44-40(47)49-37-7-3-1-4-8-37)43-34-21-13-30(14-22-34)28-32-17-25-36(26-18-32)45-41(48)50-38-9-5-2-6-10-38/h1-26H,27-28H2,(H,44,47)(H,45,48)(H2,42,43,46)",C41H34N4O5,,,,,,BYBZVHGGXGVFIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.425,265-387-2,65086-96-6,Tris[bis(2-hydroxyethyl]ammonium] citrate,tris[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] citrate,OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3C4H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*6-3-1-5-2-4-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-7H,1-4H2",C6H8O7.3C4H11NO2,,,,,,PTMZVOXBBFWVLX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.439,265-402-2,65087-19-6,Cyclohexyldiethylammonium chloride,"N,N-diethylcyclohexanaminium chloride",[Cl-].CC[NH+](CC)C1CCCCC1,[Cl-].CC[NH+](CC)C1CCCCC1,"InChI=1/C10H21N.ClH/c1-3-11(4-2)10-8-6-5-7-9-10;/h10H,3-9H2,1-2H3;1H",C10H21N.ClH,,,,,,ASWRLCJWTCTHCL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.456,265-421-6,65104-39-4,"Dodecyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)","dodecyl dihydrogen phosphate - 2,2'-iminodiethanol (1:2)",CCCCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO,CCCCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO,"InChI=1/C12H27O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2*6-3-1-5-2-4-7/h2-12H2,1H3,(H2,13,14,15);2*5-7H,1-4H2",C12H27O4P.2C4H11NO2,,,,,,SVJXHSBNOUJPED-UHFFFAOYSA-N,,,,,,,,,,,
100.060.209,266-251-5,66214-51-5,"Trisodium 5-amino-3-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-amino-3-({4'-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,"InChI=1/C34H28N6O11S3.3Na/c1-16-9-18(4-7-26(16)37-39-31-28(53(46,47)48)12-20-3-6-22(35)14-24(20)33(31)41)19-5-8-27(17(2)10-19)38-40-32-29(54(49,50)51)13-21-11-23(52(43,44)45)15-25(36)30(21)34(32)42;;;/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C34H28N6O11S3.3Na,,,,,,BHSJRCQNCOQCIC-UHFFFAOYSA-K,,,,,,,,,,,
100.060.210,266-252-0,66214-52-6,"Disodium 6-amino-3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2-sulphonate","disodium 6-amino-3-({4'-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c(C)c5,"InChI=1/C34H28N6O8S2.2Na/c1-17-11-19(4-9-27(17)37-39-31-30(50(46,47)48)15-22-13-23(35)7-8-25(22)33(31)41)20-5-10-28(18(2)12-20)38-40-32-29(49(43,44)45)14-21-3-6-24(36)16-26(21)34(32)42;;/h3-16,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C34H28N6O8S2.2Na,,,,,,RMORXXXTMIPMAX-UHFFFAOYSA-L,,,,,,,,,,,
100.060.214,266-256-2,66214-56-0,"N,N'-(9,10-dihydro-9,10-dioxo-2,6-anthracenediyl)bisbenzenecarbothioamide","N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,6-diyl)dibenzenecarbothioamide",O=C1c2ccc(NC(=S)c3ccccc3)cc2C(=O)c4ccc(NC(=S)c5ccccc5)cc14,O=C1c2ccc(NC(=S)c3ccccc3)cc2C(=O)c4ccc(NC(=S)c5ccccc5)cc14,"InChI=1/C28H18N2O2S2/c31-25-22-14-12-20(30-28(34)18-9-5-2-6-10-18)16-24(22)26(32)21-13-11-19(15-23(21)25)29-27(33)17-7-3-1-4-8-17/h1-16H,(H,29,33)(H,30,34)",C28H18N2O2S2,,,,,,KHMGYVWUOXVNNR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.222,266-265-1,66227-09-6,"Propyl [3-(1,1-dimethylethyl)phenoxy]acetate",propyl (3-tert-butylphenoxy)acetate,CCCOC(=O)COc1cccc(c1)C(C)(C)C,CCCOC(=O)COc1cccc(c1)C(C)(C)C,"InChI=1/C15H22O3/c1-5-9-17-14(16)11-18-13-8-6-7-12(10-13)15(2,3)4/h6-8,10H,5,9,11H2,1-4H3",C15H22O3,,,,,,PFIYGPDMTJWGJV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.223,266-266-7,66227-21-2,trans-butoxy-4-(4-pentylcyclohexyl)benzene,1-butoxy-4-(4-pentylcyclohexyl)benzene,CCCCCC1CCC(CC1)c2ccc(OCCCC)cc2,CCCCCC1CCC(CC1)c2ccc(OCCCC)cc2,"InChI=1/C21H34O/c1-3-5-7-8-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22-17-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3",C21H34O,,,,,,UFZFIGQTSGIKME-UHFFFAOYSA-N,,,,,,,,,,,
100.060.227,266-270-9,66236-90-6,"Sodium 5-[[4-[(3-acetamidophenyl)azo]-2,5-dimethoxyphenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate","sodium 5-({4-[(3-acetamidophenyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)-6-amino-4-hydroxynaphthalene-2-sulfonate",[Na+].COc4cc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c(cc4N=Nc3cc(NC(C)=O)ccc3)OC,[Na+].COc4cc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c(cc4N=Nc3cc(NC(C)=O)ccc3)OC,"InChI=1/C26H24N6O7S.Na/c1-14(33)28-16-5-4-6-17(10-16)29-30-20-12-24(39-3)21(13-23(20)38-2)31-32-26-19(27)8-7-15-9-18(40(35,36)37)11-22(34)25(15)26;/h4-13,34H,27H2,1-3H3,(H,28,33)(H,35,36,37);/q;+1/p-1",C26H24N6O7S.Na,,,,,,YAJZBUDJUSTGJN-UHFFFAOYSA-M,,,,,,,,,,,
100.060.244,266-289-2,66264-75-3,4-(2-bromoacetyl)-3-(methylthio)phenyl acetate,4-(bromoacetyl)-3-(methylsulfanyl)phenyl acetate,CSc1cc(OC(=O)C)ccc1C(=O)CBr,CSc1cc(OC(=O)C)ccc1C(=O)CBr,"InChI=1/C11H11BrO3S/c1-7(13)15-8-3-4-9(10(14)6-12)11(5-8)16-2/h3-5H,6H2,1-2H3",C16H13BrO3S,,,,,,WXGUAWDYFDYWSE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.599,260-078-9,56253-91-9,2-hexadecylicosanoic acid,2-hexadecylicosanoic acid,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O,"InChI=1/C36H72O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36(37)38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H,37,38)",C36H72O2,,,,,,IJBWKGHEXLOTPU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.600,260-079-4,56264-98-3,Butenylbenzene,but-1-en-1-ylbenzene,CCC=Cc1ccccc1,CCC=Cc1ccccc1,"InChI=1/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3",C10H12,,,,,,MPMBRWOOISTHJV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.601,260-081-5,56265-06-6,"5-oxo-L-proline, compound with L-arginine (1:1)",5-oxo-L-proline - L-arginine (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H14N4O2.C5H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C6H14N4O2.C5H7NO3,,,,,,UYCAGRPOUWSBIQ-WOYAITHZSA-N,,,,,,,,,,,
100.054.604,260-084-1,56269-66-0,(E)-3-formylbut-2-endiyl diacetate,"3-formylbut-2-ene-1,1-diyl diacetate",CC(=O)OC(OC(=O)C)\\C=C(/C)\\C=O,CC(=O)OC(OC(=O)C)\C=C(/C)\C=O,"InChI=1/C9H12O5/c1-6(5-10)4-9(13-7(2)11)14-8(3)12/h4-5,9H,1-3H3",C9H12O5,,,,,,ZONLFTZQOACGCL-GQCTYLIASA-N,,,,,,,,,,,
100.054.611,260-092-5,56279-41-5,2-chlorononan-1-oic acid,2-chlorononanoic acid,CCCCCCCC(Cl)C(=O)O,CCCCCCCC(Cl)C(=O)O,"InChI=1/C9H17ClO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)",C9H17ClO2,,,,,,BPPQZFLRCMEVEC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.612,260-093-0,56280-59-2,[3-[ethyl(o-tolyl)amino]-2-hydroxypropyl]trimethylammonium chloride,"3-[ethyl(2-methylphenyl)amino]-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CCN(CC(O)C[N+](C)(C)C)c1ccccc1C,[Cl-].CCN(CC(O)C[N+](C)(C)C)c1ccccc1C,"InChI=1/C15H27N2O.ClH/c1-6-16(11-14(18)12-17(3,4)5)15-10-8-7-9-13(15)2;/h7-10,14,18H,6,11-12H2,1-5H3;1H/q+1;/p-1",C15H27N2O.Cl,,,,,,QIONMFNAXZETLK-UHFFFAOYSA-M,,,,,,,,,,,
100.054.735,260-227-8,56504-94-0,1-[(3-hydroxypropyl)amino]-4-(methylamino)anthraquinone,"1-[(3-hydroxypropyl)amino]-4-(methylamino)-9,10-anthraquinone",CNc1ccc(NCCCO)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(NCCCO)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H18N2O3/c1-19-13-7-8-14(20-9-4-10-21)16-15(13)17(22)11-5-2-3-6-12(11)18(16)23/h2-3,5-8,19-21H,4,9-10H2,1H3",C18H18N2O3,,,,,,AWFZMEBVAIDNSS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.736,260-228-3,56505-01-2,"3-[(3,7-dimethyl-6-octenyl)oxy]propiononitrile","3-[(3,7-dimethyloct-6-en-1-yl)oxy]propanenitrile",CC(CCOCCC#N)CCC=C(C)C,CC(CCOCCC#N)CCC=C(C)C,"InChI=1/C13H23NO/c1-12(2)6-4-7-13(3)8-11-15-10-5-9-14/h6,13H,4-5,7-8,10-11H2,1-3H3",C13H23NO,,,,,,BHWFTJVWLOVCFK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.739,260-232-5,56509-15-0,"Hexanedioic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol]","6-[3-hydroxy-2-{[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl}-2-(hydroxymethyl)propoxy]-6-oxohexanoic acid",OCC(CO)(CO)COCC(CO)(CO)COC(=O)CCCCC(=O)O,OCC(CO)(CO)COCC(CO)(CO)COC(=O)CCCCC(=O)O,"InChI=1/C16H30O10/c17-5-15(6-18,7-19)10-25-11-16(8-20,9-21)12-26-14(24)4-2-1-3-13(22)23/h17-21H,1-12H2,(H,22,23)",-,,,,,,NDEUMYVIGDLDIB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.745,260-238-8,56518-41-3,Brodimoprim,"5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine",COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br,"InChI=1/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)",C13H15BrN4O2,,,,,,BFCRRLMMHNLSCP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.749,260-243-5,56524-77-7,"1-amino-4,5-dihydroxy-8-(methylamino)anthraquinone","1-amino-4,5-dihydroxy-8-(methylamino)-9,10-anthraquinone",CNc1ccc(O)c2C(=O)c3c(O)ccc(N)c3C(=O)c12,CNc1ccc(O)c2C(=O)c3c(O)ccc(N)c3C(=O)c12,"InChI=1/C15H12N2O4/c1-17-7-3-5-9(19)13-11(7)14(20)10-6(16)2-4-8(18)12(10)15(13)21/h2-5,17-19H,16H2,1H3",C15H12N2O4,,,,,,UHEWQMYKNNPODZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.883,260-391-0,56803-37-3,tert-butylphenyl diphenyl phosphate,2-tert-butylphenyl diphenyl phosphate,CC(C)(C)c3ccccc3OP(=O)(Oc1ccccc1)Oc2ccccc2,CC(C)(C)c3ccccc3OP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C22H23O4P/c1-22(2,3)20-16-10-11-17-21(20)26-27(23,24-18-12-6-4-7-13-18)25-19-14-8-5-9-15-19/h4-17H,1-3H3",C22H23O4P,,,,,,VDIFKDMFGPIVCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.885,260-393-1,56816-01-4,Ethyl (S)-3-hydroxybutyrate,ethyl 3-hydroxybutanoate,CCOC(=O)C[C@H](C)O,CCOC(=O)C[C@H](C)O,"InChI=1/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,OMSUIQOIVADKIM-YFKPBYRVSA-N,,,,,,,,,,,
100.054.893,260-401-3,56842-61-6,"5-[(2-cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile","5-[(2-cyanophenyl)diazenyl]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile",N#Cc2ccccc2N=Nc1c(C)c(C#N)c(NCCOC)nc1NCCOC,N#Cc2ccccc2N=Nc1c(C)c(C#N)c(NCCOC)nc1NCCOC,"InChI=1/C20H23N7O2/c1-14-16(13-22)19(23-8-10-28-2)25-20(24-9-11-29-3)18(14)27-26-17-7-5-4-6-15(17)12-21/h4-7H,8-11H2,1-3H3,(H2,23,24,25)",C20H23N7O2,,,,,,SEQWUAQJBYUKJI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.894,260-402-9,56846-22-1,Diisooctyl phenyl phosphate,bis(6-methylheptyl) phenyl phosphate,CC(C)CCCCCOP(=O)(OCCCCCC(C)C)Oc1ccccc1,CC(C)CCCCCOP(=O)(OCCCCCC(C)C)Oc1ccccc1,"InChI=1/C22H39O4P/c1-20(2)14-8-6-12-18-24-27(23,26-22-16-10-5-11-17-22)25-19-13-7-9-15-21(3)4/h5,10-11,16-17,20-21H,6-9,12-15,18-19H2,1-4H3",C22H39O4P,,,,,,NQOFUSUDAMVORD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.896,260-405-5,56859-59-7,1-(2-chloroethyl)-4-methylpiperidinium chloride,1-(2-chloroethyl)-4-methylpiperidinium chloride,[Cl-].CC1CC[NH+](CCCl)CC1,[Cl-].CC1CC[NH+](CCCl)CC1,"InChI=1/C8H16ClN.ClH/c1-8-2-5-10(6-3-8)7-4-9;/h8H,2-7H2,1H3;1H",C8H16ClN.ClH,,,,,,PAZNWLZCASYNFC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.549,240-221-1,16071-86-6,"Disodium [5-[[4'-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulphophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylato(4-)]cuprate(2-)",copper(2+) disodium 2-hydroxy-5-{[4'-({6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)biphenyl-4-yl]diazenyl}benzoate,[Na+].[Na+].[Cu+2].Oc1ccc(cc1C(=O)[O-])N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c(O)ccc(N=Nc5cc(ccc5[O-])S(=O)(=O)[O-])c4[O-],[Na+].[Na+].[Cu+2].Oc1ccc(cc1C(=O)[O-])N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c(O)ccc(N=Nc5cc(ccc5[O-])S(=O)(=O)[O-])c4[O-],"InChI=1/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4",C31H18CuN6O9S.2Na,,,,,,HZBTZQVWJPRVDN-UHFFFAOYSA-J,,,,,,,,,,,
100.036.552,240-224-8,16078-71-0,Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate,ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate,CCOC(=O)c1cnn(c1N)c2ccccc2,CCOC(=O)c1cnn(c1N)c2ccccc2,"InChI=1/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3",C12H13N3O2,,,,,,AYJIUOZKKTUKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.036.556,240-229-5,16079-51-9,Sodium L-asparaginate,"sodium 2,4-diamino-4-oxobutanoate",[Na+].N[C@@H](CC(=O)N)C(=O)[O-],[Na+].N[C@@H](CC(=O)N)C(=O)[O-],"InChI=1/C4H8N2O3.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);/q;+1/p-1",C4H8N2O3.Na,,,,,,HKCPSLRXMHNTBX-DKWTVANSSA-M,,,,,,,,,,,
100.036.558,240-231-6,16081-26-8,"cis-2-vinyl-1,3-dioxolane-4-methanol","(2-vinyl-1,3-dioxolan-4-yl)methanol",OC[C@@H]1CO[C@@H](O1)C=C,OC[C@@H]1CO[C@@H](O1)C=C,"InChI=1/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h2,5-7H,1,3-4H2",C6H10O3,,,,,,JMAUXGPDSZGZAJ-RITPCOANSA-N,,,,,,,,,,,
100.060.934,267-047-9,67769-47-5,"Dilithium 6-amino-2-[(hydrazinocarbonyl)amino]-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5,8-disulphonate","dilithium 6-amino-2-[(hydrazinocarbonyl)amino]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonate",[Li+].[Li+].NNC(=O)NN1C(=O)c2cc(cc3c(N)c(cc(C1=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],[Li+].[Li+].NNC(=O)NN1C(=O)c2cc(cc3c(N)c(cc(C1=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C13H11N5O9S2.2Li/c14-10-5-1-4(28(22,23)24)2-6-9(5)7(3-8(10)29(25,26)27)12(20)18(11(6)19)17-13(21)16-15;;/h1-3H,14-15H2,(H2,16,17,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C13H11N5O9S2.2Li,,,,,,RPKCZJYDUKVMGF-UHFFFAOYSA-L,,,,,,,,,,,
100.060.951,267-066-2,67785-34-6,4-[bis(benzyl)amino]-2-ethoxybenzenediazonium tetrachlorozincate (2:1),bis[4-(dibenzylamino)-2-ethoxybenzenediazonium] tetrachlorozincate(2-),CCOc1cc(ccc1[N+]#N)N(Cc2ccccc2)Cc3ccccc3.CCOc4cc(ccc4[N+]#N)N(Cc5ccccc5)Cc6ccccc6.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc(ccc1[N+]#N)N(Cc2ccccc2)Cc3ccccc3.CCOc4cc(ccc4[N+]#N)N(Cc5ccccc5)Cc6ccccc6.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C22H22N3O.4ClH.Zn/c2*1-2-26-22-15-20(13-14-21(22)24-23)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;;;;;/h2*3-15H,2,16-17H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C22H22N3O.Cl4Zn/c2*1-2-26-22-15-20(13-14-21(22)24-23)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;1-5(2,3)4/h2*3-15H,2,16-17H2,1H3;/q2*+1;-2",C22H22N3O.1/2Cl4Zn,,,,,,LGCVBACCPMHKCV-UHFFFAOYSA-J,,,,,,,,,,,
100.060.953,267-068-3,67785-71-1,"[2-[bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]methyl]-1-heptenyl]benzene","(2-{bis[(1,5-dimethyl-1-vinylhex-4-en-1-yl)oxy]methyl}hept-1-en-1-yl)benzene",C/C(C)=C\\CCC(C)(C=C)OC(OC(C)(C=C)CC\\C=C(/C)C)C(=Cc1ccccc1)CCCCC,C/C(C)=C\CCC(C)(C=C)OC(OC(C)(C=C)CC\C=C(/C)C)C(=Cc1ccccc1)CCCCC,"InChI=1/C34H52O2/c1-10-13-15-24-31(27-30-22-16-14-17-23-30)32(35-33(8,11-2)25-18-20-28(4)5)36-34(9,12-3)26-19-21-29(6)7/h11-12,14,16-17,20-23,27,32H,2-3,10,13,15,18-19,24-26H2,1,4-9H3",C34H52O2,,,,,,HIPTUWNAJGCQAY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.955,267-070-4,67785-76-6,Methyl 2-[(2-phenylethylidene)amino]benzoate,methyl 2-[(2-phenylethylidene)amino]benzoate,COC(=O)c2ccccc2N=CCc1ccccc1,COC(=O)c2ccccc2N=CCc1ccccc1,"InChI=1/C16H15NO2/c1-19-16(18)14-9-5-6-10-15(14)17-12-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3",C16H15NO2,,,,,,UTUBQSIVMXUACR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.810,260-310-9,56652-27-8,"5-oxo-L-proline, compound with (8a,9R)-cinchonan-9-ol (1:1)",5-oxo-L-proline - cinchonan-9-ol (1:1),O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OC(=O)[C@@H]5CCC(=O)N5,O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C19H22N2O.C5H7NO3/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;7-4-2-1-3(6-4)5(8)9/h2-7,9,13-14,18-19,22H,1,8,10-12H2;3H,1-2H2,(H,6,7)(H,8,9)",C19H22N2O.C5H7NO3,,,,,,IOFJVJGKFAPBNG-IQFOGYGGSA-N,,,,,,,,,,,
100.054.824,260-326-6,56670-26-9,"p-[4-[[4-[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-[3-methyl-4-({4-[(4-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoyl)amino]phenyl}diazenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=NC5C(\\C)=N/N(c4ccc(cc4)S(O)(=O)=O)C5=O)C6=O,OS(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=NC5C(\C)=N/N(c4ccc(cc4)S(O)(=O)=O)C5=O)C6=O,"InChI=1/C33H27N9O9S2/c1-19-29(32(44)41(39-19)25-11-15-27(16-12-25)52(46,47)48)37-35-23-5-3-21(4-6-23)31(43)34-22-7-9-24(10-8-22)36-38-30-20(2)40-42(33(30)45)26-13-17-28(18-14-26)53(49,50)51/h3-18,29-30H,1-2H3,(H,34,43)(H,46,47,48)(H,49,50,51)",C33H27N9O9S2,,,,,,DHTZJXQLSJCXGW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.825,260-327-1,56672-52-7,"(2-chloro-1,1,2,2-tetrafluoroethoxy)trifluoroethylene","1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoroethene",FC(=C(F)OC(F)(F)C(F)(F)Cl)F,FC(=C(F)OC(F)(F)C(F)(F)Cl)F,"InChI=1/C4ClF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7",C4ClF7O,,,,,,CBHVWKVADDVCHE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.830,260-332-9,56680-75-2,2-methoxypropionyl chloride,2-methoxypropanoyl chloride,COC(C)C(=O)Cl,COC(C)C(=O)Cl,"InChI=1/C4H7ClO2/c1-3(7-2)4(5)6/h3H,1-2H3",C4H7ClO2,,,,,,NBEMORIANHKPTH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.832,260-335-5,56681-01-7,"1-(2,3,6-trimethylphenyl)-2-buten-1-one","1-(2,3,6-trimethylphenyl)but-2-en-1-one",Cc1c(C(=O)C=CC)c(C)ccc1C,Cc1c(C(=O)C=CC)c(C)ccc1C,"InChI=1/C13H16O/c1-5-6-12(14)13-10(3)8-7-9(2)11(13)4/h5-8H,1-4H3",C13H16O,,,,,,BKPHNRBKDWTWOI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.838,260-341-8,56695-65-9,Rosaprostol,7-(2-hexyl-5-hydroxycyclopentyl)heptanoic acid,CCCCCC[C@H]1CCC(O)[C@@H]1CCCCCCC(=O)O,CCCCCC[C@H]1CCC(O)[C@@H]1CCCCCCC(=O)O,"InChI=1/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)",C18H34O3,,,,,,NMAOJFAMEOVURT-RTKIROINSA-N,,,,,,,,,,,
100.054.844,260-348-6,56705-79-4,4-(2-cyclohexylphenoxy)aniline,4-(2-cyclohexylphenoxy)aniline,Nc1ccc(Oc2ccccc2C3CCCCC3)cc1,Nc1ccc(Oc2ccccc2C3CCCCC3)cc1,"InChI=1/C18H21NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7,19H2",C18H21NO,,,,,,PLVQWNLOOHOANK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.845,260-349-1,56705-83-0,4-(o-tolyloxy)aniline,4-(2-methylphenoxy)aniline,Cc1ccccc1Oc2ccc(N)cc2,Cc1ccccc1Oc2ccc(N)cc2,"InChI=1/C13H13NO/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12/h2-9H,14H2,1H3",C13H13NO,,,,,,JPCCVWJJMUIBJR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.234,267-378-9,67846-65-5,Methyl 4-[(4-chlorophenyl)methylamino]benzoate,methyl 4-[(4-chlorobenzyl)amino]benzoate,COC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1,COC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1,"InChI=1/C15H14ClNO2/c1-19-15(18)12-4-8-14(9-5-12)17-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3",C15H14ClNO2,,,,,,JNZACWQJAWXQKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.240,267-385-7,67848-66-2,2-benzyl-3-phenylpyridine,2-benzyl-3-phenylpyridine,C(c1ccccc1)c2ncccc2c3ccccc3,C(c1ccccc1)c2ncccc2c3ccccc3,"InChI=1/C18H15N/c1-3-8-15(9-4-1)14-18-17(12-7-13-19-18)16-10-5-2-6-11-16/h1-13H,14H2",C18H15N,,,,,,VAXDNHLGUWFZSI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.126,261-758-8,59430-62-5,4-aminohydratropic acid,2-(4-aminophenyl)propanoic acid,CC(C(=O)O)c1ccc(N)cc1,CC(C(=O)O)c1ccc(N)cc1,"InChI=1/C9H11NO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H,11,12)",C9H11NO2,,,,,,WOMVICAMAQURRN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.127,261-759-3,59431-98-0,"Tris(1-methylheptyl) benzene-1,2,4-tricarboxylate","tris(1-methylheptyl) benzene-1,2,4-tricarboxylate",CCCCCCC(C)OC(=O)c1ccc(C(=O)OC(C)CCCCCC)c(c1)C(=O)OC(C)CCCCCC,CCCCCCC(C)OC(=O)c1ccc(C(=O)OC(C)CCCCCC)c(c1)C(=O)OC(C)CCCCCC,"InChI=1/C33H54O6/c1-7-10-13-16-19-25(4)37-31(34)28-22-23-29(32(35)38-26(5)20-17-14-11-8-2)30(24-28)33(36)39-27(6)21-18-15-12-9-3/h22-27H,7-21H2,1-6H3",C33H54O6,,,,,,UVCNQUKPQSCICG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.128,261-760-9,59440-89-0,"2,2'-oxybis[1,3-dichloropropane]","2,2'-oxybis(1,3-dichloropropane)",ClCC(CCl)OC(CCl)CCl,ClCC(CCl)OC(CCl)CCl,"InChI=1/C6H10Cl4O/c7-1-5(2-8)11-6(3-9)4-10/h5-6H,1-4H2",C6H10Cl4O,,,,,,QMDIZIDCORWBJK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.133,261-766-1,59447-51-7,"(tetrabromo-1,4-phenylene)bismethylene diacrylate","(2,3,5,6-tetrabromo-1,4-phenylene)bis(methylene) bisacrylate",Brc1c(Br)c(COC(=O)C=C)c(Br)c(Br)c1COC(=O)C=C,Brc1c(Br)c(COC(=O)C=C)c(Br)c(Br)c1COC(=O)C=C,"InChI=1/C14H10Br4O4/c1-3-9(19)21-5-7-11(15)13(17)8(14(18)12(7)16)6-22-10(20)4-2/h3-4H,1-2,5-6H2",C14H10Br4O4,,,,,,OAQSIWNVYHCDOW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.134,261-767-7,59447-55-1,(pentabromophenyl)methyl acrylate,pentabromobenzyl acrylate,Brc1c(Br)c(Br)c(COC(=O)C=C)c(Br)c1Br,Brc1c(Br)c(Br)c(COC(=O)C=C)c(Br)c1Br,"InChI=1/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2",C10H5Br5O2,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7722,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.134,GRKDVZMVHOLESV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.138,261-771-9,59455-10-6,"2,2-bis(4-fluorophenyl)tetrahydrofuran","2,2-bis(4-fluorophenyl)tetrahydrofuran",Fc1ccc(cc1)C2(CCCO2)c3ccc(F)cc3,Fc1ccc(cc1)C2(CCCO2)c3ccc(F)cc3,"InChI=1/C16H14F2O/c17-14-6-2-12(3-7-14)16(10-1-11-19-16)13-4-8-15(18)9-5-13/h2-9H,1,10-11H2",C16H14F2O,,,,,,YWMMTVPVYNHPTG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.521,263-293-6,61886-53-1,Ammonium hydroxybenzenesulphonate,ammonium 2-hydroxybenzenesulfonate,[NH4+].Oc1ccccc1S(=O)(=O)[O-],[NH4+].Oc1ccccc1S(=O)(=O)[O-],"InChI=1/C6H6O4S.H3N/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4,7H,(H,8,9,10);1H3",C6H6O4S.H3N,,,,,,UAHUSJDFWAEKNV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.532,263-304-4,61893-09-2,"1-ethylimidazolidine-2,4-dione","1-ethylimidazolidine-2,4-dione",CCN1CC(=O)NC1=O,CCN1CC(=O)NC1=O,"InChI=1/C5H8N2O2/c1-2-7-3-4(8)6-5(7)9/h2-3H2,1H3,(H,6,8,9)",C5H8N2O2,,,,,,JYEMHOTUCUFTLO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.538,263-311-2,61901-01-7,Sodium N-(2-hydroxyethyl)-N-[2-[(1-oxododecyl)amino]ethyl]-ß-alaninate,sodium 3-{[2-(dodecanoylamino)ethyl](2-hydroxyethyl)amino}propanoate,[Na+].CCCCCCCCCCCC(=O)NCCN(CCO)CCC(=O)[O-],[Na+].CCCCCCCCCCCC(=O)NCCN(CCO)CCC(=O)[O-],"InChI=1/C19H38N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-18(23)20-13-15-21(16-17-22)14-12-19(24)25;/h22H,2-17H2,1H3,(H,20,23)(H,24,25);/q;+1/p-1",C19H38N2O4.Na,,,,,,LHIJGTDINPWSJW-UHFFFAOYSA-M,,,,,,,,,,,
100.057.548,263-322-2,61920-45-4,"4-isopropyl-2,2,5,5-tetramethyl-1,3-dioxane","4-isopropyl-2,2,5,5-tetramethyl-1,3-dioxane",CC(C)C1OC(C)(C)OCC1(C)C,CC(C)C1OC(C)(C)OCC1(C)C,"InChI=1/C11H22O2/c1-8(2)9-10(3,4)7-12-11(5,6)13-9/h8-9H,7H2,1-6H3",C11H22O2,,,,,,WVYKHQRCBWWGFK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.549,263-323-8,61922-29-0,Cholest-5-en-3ß-yl 2-ethylhexyl carbonate,cholest-5-en-3-yl 2-ethylhexyl carbonate,CCCCC(CC)COC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCC(CC)COC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C36H62O3/c1-8-10-14-27(9-2)24-38-34(37)39-29-19-21-35(6)28(23-29)15-16-30-32-18-17-31(26(5)13-11-12-25(3)4)36(32,7)22-20-33(30)35/h15,25-27,29-33H,8-14,16-24H2,1-7H3",C36H62O3,,,,,,VVOYNPVJLBAMPC-MSRDKCBUSA-N,,,,,,,,,,,
100.057.558,263-333-2,61931-75-7,Ammonium undecylbenzenesulphonate,ammonium 2-undecylbenzenesulfonate,[NH4+].CCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[NH4+].CCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C17H28O3S.H3N/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21(18,19)20;/h11-12,14-15H,2-10,13H2,1H3,(H,18,19,20);1H3",C17H28O3S.H3N,,,,,,LZUMCTSZZMZIJH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.560,263-335-3,61931-78-0,"(E)-2,6-dimethylocta-1,5,7-trien-3-yl acetate","1-isopropenyl-4-methylhexa-3,5-dien-1-yl acetate",CC(=O)OC(C\\C=C(/C)\\C=C)C(=C)C,CC(=O)OC(C\C=C(/C)\C=C)C(=C)C,"InChI=1/C12H18O2/c1-6-10(4)7-8-12(9(2)3)14-11(5)13/h6-7,12H,1-2,8H2,3-5H3",C12H18O2,,,,,,ROSNLJMZUQKTFF-JXMROGBWSA-N,,,,,,,,,,,
100.054.615,260-096-7,56288-95-0,N-ethyl-5-nitro-o-toluidine,N-ethyl-2-methyl-5-nitroaniline,CCNc1cc(ccc1C)[N+](=O)[O-],CCNc1cc(ccc1C)[N+](=O)[O-],"InChI=1/C9H12N2O2/c1-3-10-9-6-8(11(12)13)5-4-7(9)2/h4-6,10H,3H2,1-2H3",C9H12N2O2,,,,,,JGBJNRPKVSUFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.617,260-098-8,56290-49-4,"1-(4-phenoxyphenyl)butane-1,3-dione","1-(4-phenoxyphenyl)butane-1,3-dione",CC(=O)CC(=O)c1ccc(Oc2ccccc2)cc1,CC(=O)CC(=O)c1ccc(Oc2ccccc2)cc1,"InChI=1/C16H14O3/c1-12(17)11-16(18)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10H,11H2,1H3",C16H14O3,,,,,,XDGMOBFJXPWPNT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.624,260-105-4,56309-56-9,o-isopropylphenyl isocyanate,1-isocyanato-2-isopropylbenzene,CC(C)c1ccccc1N=C=O,CC(C)c1ccccc1N=C=O,"InChI=1/C10H11NO/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-6,8H,1-2H3",C10H11NO,,,,,,MWBSQVPLYJZPTG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.752,260-246-1,56528-77-9,2-cyclohexylpiperidine,2-cyclohexylpiperidine,C1CCC(CC1)C2CCCCN2,C1CCC(CC1)C2CCCCN2,"InChI=1/C11H21N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h10-12H,1-9H2",C11H21N,,,,,,DNXQKSGKSCAEIY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.754,260-248-2,56532-53-7,"N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-(dipropylamino)phenyl]acetamide","N-{2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-(dipropylamino)phenyl}acetamide",[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(C)=O)N(CCC)CCC)c(C#N)c2,[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(C)=O)N(CCC)CCC)c(C#N)c2,"InChI=1/C22H23N7O3/c1-4-8-28(9-5-2)18-6-7-20(21(12-18)25-15(3)30)26-27-22-16(13-23)10-19(29(31)32)11-17(22)14-24/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,25,30)",C22H23N7O3,,,,,,BRFLEIZLMZUSSP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.755,260-249-8,56532-67-3,"2-(3-butoxypropyl)-10-chlorobenzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione","2-(3-butoxypropyl)-10-chlorobenzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione",CCCCOCCCN1C(=O)c2ccc3C(=O)n4c(nc5cc(Cl)ccc45)c6ccc(C1=O)c2c36,CCCCOCCCN1C(=O)c2ccc3C(=O)n4c(nc5cc(Cl)ccc45)c6ccc(C1=O)c2c36,"InChI=1/C27H22ClN3O4/c1-2-3-12-35-13-4-11-30-25(32)17-7-6-16-22-19(9-8-18(23(17)22)26(30)33)27(34)31-21-10-5-15(28)14-20(21)29-24(16)31/h5-10,14H,2-4,11-13H2,1H3",C27H22ClN3O4,,,,,,FMOOUOXPMHKXAV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.443,252-204-6,34769-44-3,"2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione, monosodium salt",-,[Na+].CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,[Na+].CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,"InChI=1/C18H16O7.Na/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,11,22-23H,1-4H3;/q;+1",C18H16O7.Na,,,,,,MKLQPOLHKMNWKN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.445,252-206-7,34771-66-9,"3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-benzopyrone","3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one",Cc1nn(nc1c2ccccc2)c3ccc4C=C(C(=O)Oc4c3)n5cc(Cl)cn5,Cc1nn(nc1c2ccccc2)c3ccc4C=C(C(=O)Oc4c3)n5cc(Cl)cn5,"InChI=1/C21H14ClN5O2/c1-13-20(14-5-3-2-4-6-14)25-27(24-13)17-8-7-15-9-18(21(28)29-19(15)10-17)26-12-16(22)11-23-26/h2-12H,1H3",C21H14ClN5O2,,,,,,XPCRQHRLGGKEPE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.447,252-208-8,34775-83-2,"4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]piperazinium methanesulphonate","4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-ium methanesulfonate",CSc1ccc2Sc3ccccc3CC(N4CC[NH2+]CC4)c2c1.CS(=O)(=O)[O-],CSc1ccc2Sc3ccccc3CC(N4CC[NH2+]CC4)c2c1.CS(=O)(=O)[O-],"InChI=1/C19H22N2S2.CH4O3S/c1-22-15-6-7-19-16(13-15)17(21-10-8-20-9-11-21)12-14-4-2-3-5-18(14)23-19;1-5(2,3)4/h2-7,13,17,20H,8-12H2,1H3;1H3,(H,2,3,4)",C22H28N2OS2.CH4O3S,,,,,,IJPIXRWVNSSPHP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.448,252-209-3,34779-65-2,2-[2-(trifluoromethyl)phenyl]acetamide,2-[2-(trifluoromethyl)phenyl]acetamide,NC(=O)Cc1ccccc1C(F)(F)F,NC(=O)Cc1ccccc1C(F)(F)F,"InChI=1/C9H8F3NO/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H2,13,14)",C9H8F3NO,,,,,,RBYZOKNDDRTADS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.449,252-210-9,34781-33-4,"Sulphuric acid, gallium salt",-,[Ga+3].[O-]S(=O)(=O)[O-],[Ga+3].[O-]S(=O)(=O)[O-],"InChI=1/Ga.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+3;/p-2",Ga.xH2O4S,,,,,,LNNSBNVRBJKZAG-UHFFFAOYSA-L,,,,,,,,,,,
100.047.451,252-213-5,34787-01-4,Ticarcillin,"6-{[carboxy(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,"InChI=1/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)",C15H16N2O6S2,,,,,,OHKOGUYZJXTSFX-KZFFXBSXSA-N,Positive,mzcloud:2120,[M+H]+;[M+Na]+,HCD_Averaged,70.0651:97.0106:114.0372:160.0427:182.0270:226.0169:87.0263,HighChem,,,,,
100.047.453,252-215-6,34790-24-4,4-methylquinazolin-2(1H)-one,4-methylquinazolin-2(1H)-one,CC1=NC(=O)Nc2ccccc12,CC1=NC(=O)Nc2ccccc12,"InChI=1/C9H8N2O/c1-6-7-4-2-3-5-8(7)11-9(12)10-6/h2-5H,1H3,(H,10,11,12)",C9H8N2O,,,,,,RLLNOZZVLWEBBI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.464,252-227-1,34817-42-0,"5-bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione","5-bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione",CC1(C)OC(=O)C(C)(Br)C(=O)O1,CC1(C)OC(=O)C(C)(Br)C(=O)O1,"InChI=1/C7H9BrO4/c1-6(2)11-4(9)7(3,8)5(10)12-6/h1-3H3",C7H9BrO4,,,,,,XCOQDRFRYIKEMS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.561,240-234-2,16081-29-1,"trans-2-vinyl-1,3-dioxan-5-ol","2-vinyl-1,3-dioxan-5-ol",O[C@@H]1CO[C@H](OC1)C=C,O[C@@H]1CO[C@H](OC1)C=C,"InChI=1/C6H10O3/c1-2-6-8-3-5(7)4-9-6/h2,5-7H,1,3-4H2",C6H10O3,,,,,,RCORSHSFJCXHTF-IZLXSQMJSA-N,,,,,,,,,,,
100.036.563,240-236-3,16083-78-6,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-2-hydroxy-16-(trifluoromethyl)heptadecyl acrylate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-2-hydroxy-16-(trifluoromethyl)heptadecyl acrylate",OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C21H9F31O3/c1-2-6(54)55-4-5(53)3-7(22,23)9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)18(43,44)16(39,40)14(35,36)12(31,32)10(27,28)8(24,20(47,48)49)21(50,51)52/h2,5,53H,1,3-4H2",C21H9F31O3,,,,,,UKOJGDIRVHIDJM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.565,240-238-4,16086-14-9,"2,2-dichloroethane-1,1-diol","2,2-dichloroethane-1,1-diol",OC(O)C(Cl)Cl,OC(O)C(Cl)Cl,"InChI=1/C2H4Cl2O2/c3-1(4)2(5)6/h1-2,5-6H",C2H4Cl2O2,,,,,,RUUBIFVWPACNLY-UHFFFAOYSA-N,,,,,,,,,,,
100.036.567,240-241-0,16088-62-3,"(S)-1,2-epoxypropane",2-methyloxirane,C[C@H]1CO1,C[C@H]1CO1,"InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3",C3H6O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10179,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.567,GOOHAUXETOMSMM-VKHMYHEASA-N,,,,,,,,,,,
100.036.572,240-246-8,16090-05-4,Lithium p-toluate,lithium 4-methylbenzoate,[Li+].Cc1ccc(cc1)C(=O)[O-],[Li+].Cc1ccc(cc1)C(=O)[O-],"InChI=1/C8H8O2.Li/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3,(H,9,10);/q;+1/p-1",C8H8O2.Li,,,,,,SWMADUDQOSXKBZ-UHFFFAOYSA-M,,,,,,,,,,,
100.036.574,240-248-9,16090-09-8,Dilithium succinate,dilithium succinate,[Li+].[Li+].[O-]C(=O)CCC(=O)[O-],[Li+].[Li+].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.2Li/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H6O4.xLi,,,,,,WAHQBNXSPALNEA-UHFFFAOYSA-L,,,,,,,,,,,
100.036.583,240-258-3,16094-31-8,"5-(1,1-dimethylethyl)salicylic acid",5-tert-butyl-2-hydroxybenzoic acid,CC(C)(C)c1ccc(O)c(c1)C(=O)O,CC(C)(C)c1ccc(O)c(c1)C(=O)O,"InChI=1/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)",C11H14O3,,,,,,XAICWTLLSRXZPB-UHFFFAOYSA-N,,,,,,,,,,,
100.036.588,240-264-6,16099-54-0,"N,N'-1,4-phenylenebis(stearamide)","N,N'-1,4-phenylenedioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc1,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc1,"InChI=1/C42H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)43-39-35-37-40(38-36-39)44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-34H2,1-2H3,(H,43,45)(H,44,46)",C42H76N2O2,,,,,,CQISYTXUORWJSX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.592,240-268-8,16103-04-1,6-(4-(4-diazonioanilino)phenylazo)-4-ethoxytoluene-3-diazonium zinc chloride,-,[Zn+2].[Cl-].CCOc3cc(N=Nc2ccc(Nc1ccc([N+]#N)cc1)cc2)c(C)cc3[N+]#N,[Zn+2].[Cl-].CCOc3cc(N=Nc2ccc(Nc1ccc([N+]#N)cc1)cc2)c(C)cc3[N+]#N,"InChI=1/C21H19N7O.ClH.Zn/c1-3-29-21-13-19(14(2)12-20(21)26-23)28-27-18-10-6-16(7-11-18)24-15-4-8-17(25-22)9-5-15;;/h4-13,24H,3H2,1-2H3;1H;/q+2;;+2/p-1",C21H19N7O.Cl4Zn,,,,,,NWBQGBKOMXUERG-UHFFFAOYSA-M,,,,,,,,,,,
100.030.568,233-639-0,10288-36-5,"2,3-dihydro-1,4-benzodioxin-5-ol","2,3-dihydro-1,4-benzodioxin-5-ol",Oc1cccc2OCCOc12,Oc1cccc2OCCOc12,"InChI=1/C8H8O3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,9H,4-5H2",C8H8O3,,,,,,IGXSSRPZRAIXQF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.569,233-640-6,10289-68-6,Tridecan-3-ol,tridecan-3-ol,CCCCCCCCCCC(O)CC,CCCCCCCCCCC(O)CC,"InChI=1/C13H28O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h13-14H,3-12H2,1-2H3",C13H28O,,,,,,LBSIDDOMEWFXBT-UHFFFAOYSA-N,,,,,,,,,,,
100.030.575,233-646-9,10290-61-6,N-benzoyl-L-methionine,N-benzoyl-L-methionine,CSCC[C@H](NC(=O)c1ccccc1)C(=O)O,CSCC[C@H](NC(=O)c1ccccc1)C(=O)O,"InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)",C12H15NO3S,,,,,,PPFRJEXUPZWQPI-JTQLQIEISA-N,,,,,,,,,,,
100.030.580,233-652-1,10293-06-8,"(1R-endo)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br,CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br,"InChI=1/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3",C10H15BrO,,,,,,NJQADTYRAYFBJN-FWWHASMVSA-N,,,,,,,,,,,
100.030.581,233-653-7,10294-26-5,Disilver(1+) sulphate,disilver(1+) sulfate,[Ag+].[Ag+].[O-]S(=O)(=O)[O-],[Ag+].[Ag+].[O-]S(=O)(=O)[O-],"InChI=1/2Ag.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",Ag.1/2H2O4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11913,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.581,YPNVIBVEFVRZPJ-UHFFFAOYSA-L,,,,,,,,,,,
100.030.583,233-655-8,10294-29-8,Gold monochloride,gold(1+) chloride,[Cl-].[Au+],[Cl-].[Au+],InChI=1/Au.ClH/h;1H/q+1;/p-1,AuCl,,,,,,FDWREHZXQUYJFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.030.584,233-656-3,10294-31-2,Gold monoiodide,gold(1+) iodide,[I-].[Au+],[I-].[Au+],InChI=1/Au.HI/h;1H/q+1;/p-1,AuI,,,,,,ATGIETUGWDAYPU-UHFFFAOYSA-M,,,,,,,,,,,
100.030.593,233-666-8,10294-66-3,Potassium thiosulphate,dipotassium thiosulfate,[K+].[K+].[O-]S(=O)(=O)[S-],[K+].[K+].[O-]S(=O)(=O)[S-],"InChI=1/2K.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",H2O3S2.2K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13820,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.593,FGRVOLIFQGXPCT-UHFFFAOYSA-L,,,,,,,,,,,
100.054.847,260-351-2,56706-11-7,"4,4,14,14-tetraethoxy-3,15-dioxa-8,9,10-trithia-4,14-disilaheptadecane","4,4,14,14-tetraethoxy-3,15-dioxa-8,9,10-trithia-4,14-disilaheptadecane",CCO[Si](CCCSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CCCSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C18H42O6S3Si2/c1-7-19-28(20-8-2,21-9-3)17-13-15-25-27-26-16-14-18-29(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3",C18H42O6S3Si2,,,,,,KLFNHRIZTXWZHT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.536,252-306-0,34981-38-9,4-chlorotoluene-2-sulphonyl chloride,5-chloro-2-methylbenzenesulfonyl chloride,Cc1ccc(Cl)cc1S(=O)(=O)Cl,Cc1ccc(Cl)cc1S(=O)(=O)Cl,"InChI=1/C7H6Cl2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3",C7H6Cl2O2S,,,,,,VHBFBNCERXCECQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.540,252-310-2,34994-50-8,"7-hydroxy-3H-phenoxazin-3-one, sodium salt",-,[Na+].Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1,[Na+].Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1,"InChI=1/C12H7NO3.Na/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9;/h1-6,14H;/q;+1",C12H7NO3.Na,,,,,,TYXBZZBYMSVFPR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.551,252-322-8,35027-66-8,"Bis(2-fluoro-2,2-dinitroethyl) adipate","bis(2-fluoro-2,2-dinitroethyl) adipate",[O-][N+](=O)C(F)(COC(=O)CCCCC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C(F)(COC(=O)CCCCC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12F2N4O12/c11-9(13(19)20,14(21)22)5-27-7(17)3-1-2-4-8(18)28-6-10(12,15(23)24)16(25)26/h1-6H2",C10H12F2N4O12,,,,,,KYXDFXJLIZHHHK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.552,252-323-3,35028-06-9,2'-methylbutyrophenone,1-(2-methylphenyl)butan-1-one,CCCC(=O)c1ccccc1C,CCCC(=O)c1ccccc1C,"InChI=1/C11H14O/c1-3-6-11(12)10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3",C11H14O,,,,,,ALQIJXZCLUTTIY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.555,252-327-5,35033-71-7,"1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate","1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate",C[N+]1=C(\\C=C\\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15.[O-]P(=O)([O-])[O-],C[N+]1=C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15.[O-]P(=O)([O-])[O-],"InChI=1/C28H27N2.H3O4P/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20;1-5(2,3)4/h5-19H,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C28H27N2.H2O4P,,,,,,BXIKJMCXJDQWKI-UHFFFAOYSA-K,,,,,,,,,,,
100.047.560,252-332-2,35041-11-3,Timonacic sodium,-,[Na+].OC(=O)C1CSCN1,[Na+].OC(=O)C1CSCN1,"InChI=1/C4H7NO2S.Na/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);/q;+1",C4H7NO2S.Na,,,,,,YWLXEQKAKDKVBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.568,252-341-1,35061-61-1,2-ethylhexyl isobutyrate,2-ethylhexyl 2-methylpropanoate,CCCCC(CC)COC(=O)C(C)C,CCCCC(CC)COC(=O)C(C)C,"InChI=1/C12H24O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h10-11H,5-9H2,1-4H3",C12H24O2,,,,,,FTYSFPPFCAOKDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.569,252-342-7,35062-46-5,a-allylbenzo[b]thiophene-3-propionic acid,2-(1-benzothiophen-3-ylmethyl)pent-4-enoic acid,OC(=O)C(CC=C)Cc1csc2ccccc12,OC(=O)C(CC=C)Cc1csc2ccccc12,"InChI=1/C14H14O2S/c1-2-5-10(14(15)16)8-11-9-17-13-7-4-3-6-12(11)13/h2-4,6-7,9-10H,1,5,8H2,(H,15,16)",C14H14O2S,,,,,,VUUQWXGBGKFKDF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.574,252-347-4,35076-32-5,3-(dimethylamino)-3'-methoxypropiophenone,3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one,COc1cccc(c1)C(=O)CCN(C)C,COc1cccc(c1)C(=O)CCN(C)C,"InChI=1/C12H17NO2/c1-13(2)8-7-12(14)10-5-4-6-11(9-10)15-3/h4-6,9H,7-8H2,1-3H3",C12H17NO2,,,,,,PQEWAERVBUCIQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.575,252-349-5,35076-92-7,"1,4-dibromocyclohexane","1,4-dibromocyclohexane",BrC1CCC(Br)CC1,BrC1CCC(Br)CC1,"InChI=1/C6H10Br2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4H2",C6H10Br2,,,,,,OALGWDQLKYPDRK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.577,252-351-6,35081-45-9,4'-benzyloxy-2-bromopropiophenone,1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one,CC(Br)C(=O)c1ccc(OCc2ccccc2)cc1,CC(Br)C(=O)c1ccc(OCc2ccccc2)cc1,"InChI=1/C16H15BrO2/c1-12(17)16(18)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3",C16H15BrO2,,,,,,LSQLSCUJBXFBRB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.028,266-051-8,66000-40-6,"4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine","1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine",NC1=NN(CC1)c2cccc(c2)C(F)(F)F,NC1=NN(CC1)c2cccc(c2)C(F)(F)F,"InChI=1/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)",C10H10F3N3,,,,,,CPXGGWXJNQSFEP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.034,266-058-6,66008-67-1,"2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)sulphonyl]amino]ethyl acrylate","2-{methyl[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)sulfonyl]amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C19H12F25NO4S/c1-3-7(46)49-5-4-45(2)50(47,48)6-8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)16(36,37)17(38,39)18(40,41)19(42,43)44/h3H,1,4-6H2,2H3",C19H12F25NO4S,,,,,,NYDXNYWTPDRONX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.077,263-905-1,63134-00-9,Ethyl 3-[(2-chloro-5-nitrophenyl)imino]-3-ethoxypropionate,ethyl 3-[(2-chloro-5-nitrophenyl)imino]-3-ethoxypropanoate,Clc1ccc(cc1N=C(CC(=O)OCC)OCC)[N+]([O-])=O,Clc1ccc(cc1N=C(CC(=O)OCC)OCC)[N+]([O-])=O,"InChI=1/C13H15ClN2O5/c1-3-20-12(8-13(17)21-4-2)15-11-7-9(16(18)19)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3",C13H15ClN2O5,,,,,,UAILRSGTRBZCJH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.078,263-906-7,63134-02-1,N-[2-[ethyl[3-methyl-4-[(6-methylbenzothiazol-2-yl)azo]phenyl]amino]ethyl]acetamide,"N-[2-(ethyl{3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)ethyl]acetamide",CC(=O)NCCN(CC)c3ccc(N=Nc1nc2ccc(C)cc2s1)c(C)c3,CC(=O)NCCN(CC)c3ccc(N=Nc1nc2ccc(C)cc2s1)c(C)c3,"InChI=1/C21H25N5OS/c1-5-26(11-10-22-16(4)27)17-7-9-18(15(3)13-17)24-25-21-23-19-8-6-14(2)12-20(19)28-21/h6-9,12-13H,5,10-11H2,1-4H3,(H,22,27)",C21H25N5OS,,,,,,VAAUVVLIZRXVHB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.086,263-915-6,63134-20-3,N-ethyl-N-(2-methoxyethyl)-4-nitroso-m-toluidine,N-ethyl-N-(2-methoxyethyl)-3-methyl-4-nitrosoaniline,CCN(CCOC)c1ccc(N=O)c(C)c1,CCN(CCOC)c1ccc(N=O)c(C)c1,"InChI=1/C12H18N2O2/c1-4-14(7-8-16-3)11-5-6-12(13-15)10(2)9-11/h5-6,9H,4,7-8H2,1-3H3",C12H18N2O2,,,,,,SYVTVOOPVKBARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.088,263-917-7,63134-28-1,N-(o-methoxyphenyl)-3-(m-nitrophenyl)-3-oxopropionamide,N-(2-methoxyphenyl)-3-(3-nitrophenyl)-3-oxopropanamide,COc1ccccc1NC(=O)CC(=O)c2cccc(c2)[N+](=O)[O-],COc1ccccc1NC(=O)CC(=O)c2cccc(c2)[N+](=O)[O-],"InChI=1/C16H14N2O5/c1-23-15-8-3-2-7-13(15)17-16(20)10-14(19)11-5-4-6-12(9-11)18(21)22/h2-9H,10H2,1H3,(H,17,20)",C16H14N2O5,,,,,,GXVZEBWLFFMKMY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.090,263-919-8,63134-30-5,"(2-chloro-4,6-dimethylphenyl)hydrazine hydrochloride","(2-chloro-4,6-dimethylphenyl)hydrazine hydrochloride",Cl.Cc1cc(C)c(NN)c(Cl)c1,Cl.Cc1cc(C)c(NN)c(Cl)c1,"InChI=1/C8H11ClN2.ClH/c1-5-3-6(2)8(11-10)7(9)4-5;/h3-4,11H,10H2,1-2H3;1H",C8H11ClN2.xClH,,,,,,DKOGHKRLHGXMFW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.104,263-935-5,63148-83-4,"2-[4-(phenylamino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium","4-[2-(4-anilinobuta-1,3-dien-1-yl)naphtho[2,3-d][1,3]thiazol-3-ium-3-yl]butane-2-sulfonate",[O-]S(=O)(=O)C(C)CC[n+]2c3cc4ccccc4cc3sc2C=CC=CNc1ccccc1,[O-]S(=O)(=O)C(C)CC[n+]2c3cc4ccccc4cc3sc2C=CC=CNc1ccccc1,"InChI=1/C25H24N2O3S2/c1-19(32(28,29)30)14-16-27-23-17-20-9-5-6-10-21(20)18-24(23)31-25(27)13-7-8-15-26-22-11-3-2-4-12-22/h2-13,15,17-19H,14,16H2,1H3,(H,28,29,30)",C25H24N2O3S2,,,,,,DKXSAABHHCPLME-UHFFFAOYSA-N,,,,,,,,,,,
100.059.458,265-423-7,65104-49-6,Diethyl(2-hydroxyethyl)ammonium decyl sulphate,"N,N-diethyl-2-hydroxyethanaminium decyl sulfate",CCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)CCO,CCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)CCO,"InChI=1/C10H22O4S.C6H15NO/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-3-7(4-2)5-6-8/h2-10H2,1H3,(H,11,12,13);8H,3-6H2,1-2H3",C12H26O4S.C6H15NO,,,,,,ZEXWQNPHYCTKTK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.462,265-427-9,65104-56-5,Bis(2-hydroxyethyl)ammonium tetradecyl hydrogen phosphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium tetradecyl hydrogen phosphate,OCC[NH2+]CCO.OP([O-])(=O)OCCCCCCCCCCCCCC,OCC[NH2+]CCO.OP([O-])(=O)OCCCCCCCCCCCCCC,"InChI=1/C14H31O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-3-1-5-2-4-7/h2-14H2,1H3,(H2,15,16,17);5-7H,1-4H2",C14H31O4P.C4H11NO2,,,,,,ILRIOLRTHYIKHL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.463,265-428-4,65104-57-6,Bis[bis(2-hydroxyethyl)ammonium] tetradecyl phosphate,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] tetradecyl phosphate,CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH2+]CCO.OCC[NH2+]CCO,CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH2+]CCO.OCC[NH2+]CCO,"InChI=1/C14H31O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*6-3-1-5-2-4-7/h2-14H2,1H3,(H2,15,16,17);2*5-7H,1-4H2",C14H31O4P.2C4H11NO2,,,,,,DEVDJXHTPPIGBN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.465,265-431-0,65104-59-8,Morpholinium tetradecyl hydrogen phosphate,morpholin-4-ium tetradecyl hydrogen phosphate,[O-]P(O)(=O)OCCCCCCCCCCCCCC.C1C[NH2+]CCO1,[O-]P(O)(=O)OCCCCCCCCCCCCCC.C1C[NH2+]CCO1,"InChI=1/C14H31O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-6-4-2-5-1/h2-14H2,1H3,(H2,15,16,17);5H,1-4H2",C14H31O4P.C4H9NO,,,,,,LAKQHNKENBYZJX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.466,265-432-6,65104-60-1,Dimorpholinium tetradecyl phosphate,dimorpholin-4-ium tetradecyl phosphate,CCCCCCCCCCCCCCOP(=O)([O-])[O-].C1COCC[NH2+]1.C2COCC[NH2+]2,CCCCCCCCCCCCCCOP(=O)([O-])[O-].C1COCC[NH2+]1.C2COCC[NH2+]2,"InChI=1/C14H31O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*1-3-6-4-2-5-1/h2-14H2,1H3,(H2,15,16,17);2*5H,1-4H2",C14H31O4P.2C4H9NO,,,,,,DNIQWPSYSBMKAR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.468,265-434-7,65104-62-3,Cyclohexyldiethylammonium tetradecyl sulphate,"N,N-diethylcyclohexanaminium tetradecyl sulfate",CCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1,CCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1,"InChI=1/C14H30O4S.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-11(4-2)10-8-6-5-7-9-10/h2-14H2,1H3,(H,15,16,17);10H,3-9H2,1-2H3",C14H30O4S.C10H21N,,,,,,YSBMQBYYVGFPBI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.467,252-230-8,34824-60-7,"Sodium 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-(ethylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CCNc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],[Na+].CCNc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C16H14N2O5S.Na/c1-2-18-10-7-11(24(21,22)23)14(17)13-12(10)15(19)8-5-3-4-6-9(8)16(13)20;/h3-7,18H,2,17H2,1H3,(H,21,22,23);/q;+1/p-1",C16H14N2O5S.Na,,,,,,KYPYKYHHXCYBTQ-UHFFFAOYSA-M,,,,,,,,,,,
100.047.474,252-238-1,34837-55-3,Bromoselenobenzene,benzeneselenenyl bromide,Br[Se]c1ccccc1,Br[Se]c1ccccc1,InChI=1/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H,C6H5BrSe,,,,,,LCEFEIBEOBPPSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.476,252-240-2,34840-23-8,Methyl [[(methoxycarbonyl)amino](methylthio)methylene]carbamate,dimethyl [(methylsulfanyl)methylylidene]biscarbamate,O=C(N=C(NC(=O)OC)SC)OC,O=C(N=C(NC(=O)OC)SC)OC,"InChI=1/C6H10N2O4S/c1-11-5(9)7-4(13-3)8-6(10)12-2/h1-3H3,(H,7,8,9,10)",C6H10N2O4S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16641,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.476,KHBXLYPOXVQKJG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.477,252-241-8,34841-06-0,3-bromo-p-anisaldehyde,3-bromo-4-methoxybenzaldehyde,COc1ccc(C=O)cc1Br,COc1ccc(C=O)cc1Br,"InChI=1/C8H7BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3",C8H7BrO2,,,,,,QMPNFQLVIGPNEI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.481,252-246-5,34844-03-6,1-chloro-2-methoxyethylene,1-chloro-2-methoxyethene,CO\\C=C\\Cl,CO\C=C\Cl,"InChI=1/C3H5ClO/c1-5-3-2-4/h2-3H,1H3",C3H5ClO,,,,,,QBMJPHAEZNVUOH-NSCUHMNNSA-N,,,,,,,,,,,
100.047.484,252-249-1,34849-42-8,"N-cyclohexyl-2,5-dimethyl-3-furamide","N-cyclohexyl-2,5-dimethyl-3-furamide",Cc1oc(C)c(c1)C(=O)NC2CCCCC2,Cc1oc(C)c(c1)C(=O)NC2CCCCC2,"InChI=1/C13H19NO2/c1-9-8-12(10(2)16-9)13(15)14-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15)",C13H19NO2,,,,,,OYRIKLVYHTWHCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.486,252-251-2,34851-48-4,[bis[4-(dimethylamino)phenyl]methylene]butylurea,1-{bis[4-(dimethylamino)phenyl]methylene}-3-butylurea,CCCCNC(=O)N=C(c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C,CCCCNC(=O)N=C(c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C,"InChI=1/C22H30N4O/c1-6-7-16-23-22(27)24-21(17-8-12-19(13-9-17)25(2)3)18-10-14-20(15-11-18)26(4)5/h8-15H,6-7,16H2,1-5H3,(H,23,27)",C22H30N4O,,,,,,FPYWTNQYNNPEIR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.310,264-161-0,63449-90-1,"9-(1,1-dimethylethyl)-2-methyl-1,5-dioxaspiro[5.5]undecane","9-tert-butyl-2-methyl-1,5-dioxaspiro[5.5]undecane",CC1CCOC2(CCC(CC2)C(C)(C)C)O1,CC1CCOC2(CCC(CC2)C(C)(C)C)O1,"InChI=1/C14H26O2/c1-11-7-10-15-14(16-11)8-5-12(6-9-14)13(2,3)4/h11-12H,5-10H2,1-4H3",C14H26O2,,,,,,YXVMHTMPUCZZEW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.312,264-163-1,63449-92-3,Pyrimidinetetramine sulphite (1:1),-,Nc1nc(N)c(N)c(N)n1.[O-]S(=O)[O-],Nc1nc(N)c(N)c(N)n1.[O-]S(=O)[O-],"InChI=1/C4H8N6.H2O3S/c5-1-2(6)9-4(8)10-3(1)7;1-4(2)3/h5H2,(H6,6,7,8,9,10);(H2,1,2,3)/p-2",C4H8N6.H2O3S,,,,,,LHWUSBBIUNUWFV-UHFFFAOYSA-L,,,,,,,,,,,
100.058.314,264-165-2,63449-95-6,4-(isopropyl)cyclohexyl propionate,4-isopropylcyclohexyl propionate,CCC(=O)OC1CCC(CC1)C(C)C,CCC(=O)OC1CCC(CC1)C(C)C,"InChI=1/C12H22O2/c1-4-12(13)14-11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3",C12H22O2,,,,,,FFEOEKMMMQFWBO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.317,264-168-9,63450-30-6,Methoxymethylpyrazine,2-(methoxymethyl)pyrazine,COCc1cnccn1,COCc1cnccn1,"InChI=1/C6H8N2O/c1-9-5-6-4-7-2-3-8-6/h2-4H,5H2,1H3",C6H8N2O,,,,,,DXLUAQMRYDUZCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.319,264-171-5,63450-36-2,Nonadien-1-ol,"nona-1,3-dien-1-ol",CCCCCC=CC=CO,CCCCCC=CC=CO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6-10H,2-5H2,1H3",C9H16O,,,,,,SFXXJAXRQPQJJB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.326,264-178-3,63450-69-1,Dihexyl disulphone,"1,2-dihexyldisulfane 1,1,2,2-tetraoxide",CCCCCCS(=O)(=O)S(=O)(=O)CCCCCC,CCCCCCS(=O)(=O)S(=O)(=O)CCCCCC,"InChI=1/C12H26O4S2/c1-3-5-7-9-11-17(13,14)18(15,16)12-10-8-6-4-2/h3-12H2,1-2H3",C12H26O4S2,,,,,,BLSCDQQJQHAYRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.331,264-184-6,63450-84-0,Methyl 4-aminobenzoate hydrochloride,methyl 4-aminobenzoate hydrochloride,Cl.COC(=O)c1ccc(N)cc1,Cl.COC(=O)c1ccc(N)cc1,"InChI=1/C8H9NO2.ClH/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5H,9H2,1H3;1H",C8H9NO2.ClH,,,,,,UMLFQRYMOHDCCK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.333,264-186-7,63451-12-7,"Sodium 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium chloride",-,[Na+].[Cl-].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,[Na+].[Cl-].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C24H46N2O3.ClH.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23,20-21-27)22-24(28)29;;/h27H,2-22H2,1H3;1H;/q;;+1",C24H47N2O3.Cl.Na,,,,,,MSUXGXODBFRJNO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.336,264-189-3,63451-23-0,"3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propionic acid","3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoic acid",CCCCCCCC1=NCCN1CCOCCC(=O)O,CCCCCCCC1=NCCN1CCOCCC(=O)O,"InChI=1/C15H28N2O3/c1-2-3-4-5-6-7-14-16-9-10-17(14)11-13-20-12-8-15(18)19/h2-13H2,1H3,(H,18,19)",C15H28N2O3,,,,,,MWOOKWLIWHVLTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.596,233-669-4,10297-05-9,1-chloro-4-iodobutane,1-chloro-4-iodobutane,ClCCCCI,ClCCCCI,InChI=1/C4H8ClI/c5-3-1-2-4-6/h1-4H2,C4H8ClI,,,,,,JXOSPTBRSOYXGC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.598,233-672-0,10297-73-1,1-[4-(methylsulphonyl)phenyl]ethan-1-one,1-[4-(methylsulfonyl)phenyl]ethanone,CC(=O)c1ccc(cc1)S(=O)(=O)C,CC(=O)c1ccc(cc1)S(=O)(=O)C,"InChI=1/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3",C9H10O3S,,,,,,KAVZYDHKJNABPC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.602,233-676-2,10302-15-5,1-(phenylsulphonyl)aziridine,1-(phenylsulfonyl)aziridine,O=S(=O)(N1CC1)c2ccccc2,O=S(=O)(N1CC1)c2ccccc2,"InChI=1/C8H9NO2S/c10-12(11,9-6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2",C8H9NO2S,,,,,,AXWKGBIMVDATLR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.607,233-682-5,10308-82-4,Aminoguanidinium nitrate,carbamimidoyldiazanium nitrate,N[NH2+]C(=N)N.[O-][N+](=O)[O-],N[NH2+]C(=N)N.[O-][N+](=O)[O-],"InChI=1/CH6N4.NO3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);/q;-1/p+1",CH6N4.HNO3,,,,,,HSONFTLNXQUFQR-UHFFFAOYSA-O,,,,,,,,,,,
100.030.611,233-686-7,10310-21-1,6-chloro-7H-purin-2-ylamine,6-chloro-9H-purin-2-amine,Nc1nc(Cl)c2nc[nH]c2n1,Nc1nc(Cl)c2nc[nH]c2n1,"InChI=1/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)",C5H4ClN5,,,,,,RYYIULNRIVUMTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.613,233-688-8,10310-38-0,Ethylenebis[tris(2-cyanoethyl)phosphonium] dibromide,"ethane-1,2-diylbis[tris(2-cyanoethyl)phosphonium] dibromide",[Br-].[Br-].N#CCC[P+](CCC#N)(CCC#N)CC[P+](CCC#N)(CCC#N)CCC#N,[Br-].[Br-].N#CCC[P+](CCC#N)(CCC#N)CC[P+](CCC#N)(CCC#N)CCC#N,"InChI=1/C20H28N6P2.2BrH/c21-7-1-13-27(14-2-8-22,15-3-9-23)19-20-28(16-4-10-24,17-5-11-25)18-6-12-26;;/h1-6,13-20H2;2*1H/q+2;;/p-2",C20H28N6P2.2Br,,,,,,ASPCPFMPVFIZFT-UHFFFAOYSA-L,,,,,,,,,,,
100.030.615,233-690-9,10312-45-5,17ß-hydroxyandrost-4-en-3-one hexanoate,3-oxoandrost-4-en-17-yl hexanoate,CCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C25H38O3/c1-4-5-6-7-23(27)28-22-11-10-20-19-9-8-17-16-18(26)12-14-24(17,2)21(19)13-15-25(20,22)3/h16,19-22H,4-15H2,1-3H3",C25H38O3,,,,,,WIGTZVOQGIFMAV-BKWLFHPQSA-N,,,,,,,,,,,
100.030.616,233-691-4,10312-58-0,"2-[(3-mercapto-1-oxopropoxy)methyl]-2-methylpropane-1,3-diyl bis[3-mercaptopropionate]",2-methyl-3-[(3-sulfanylpropanoyl)oxy]-2-{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate (non-preferred name),CC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,CC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,"InChI=1/C14H24O6S3/c1-14(8-18-11(15)2-5-21,9-19-12(16)3-6-22)10-20-13(17)4-7-23/h21-23H,2-10H2,1H3",C14H24O6S3,,,,,,NNLQLBLYOHQHCV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.189,236-523-8,13419-51-7,Scandium oxalate (2:3),scandium oxalate (2:3),[Sc].[Sc].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],[Sc].[Sc].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-],"InChI=1/3C2H2O4.2Sc/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",C2H2O4.2/3Sc,,,,,,OJAVMRSVACCFCD-UHFFFAOYSA-H,,,,,,,,,,,
100.033.191,236-525-9,13419-61-9,Sodium decane-1-sulphonate,sodium decane-1-sulfonate,[Na+].CCCCCCCCCCS(=O)(=O)[O-],[Na+].CCCCCCCCCCS(=O)(=O)[O-],"InChI=1/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1",C10H22O3S.Na,,,,,,AIMUHNZKNFEZSN-UHFFFAOYSA-M,,,,,,,,,,,
100.033.194,236-529-0,13420-58-1,2-(3-chlorophenylthio)benzoic acid,2-[(3-chlorophenyl)sulfanyl]benzoic acid,OC(=O)c1ccccc1Sc2cccc(Cl)c2,OC(=O)c1ccccc1Sc2cccc(Cl)c2,"InChI=1/C13H9ClO2S/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8H,(H,15,16)",C13H9ClO2S,,,,,,JEJVFFQDODZHIV-UHFFFAOYSA-N,,,,,,,,,,,
100.033.195,236-530-6,13421-39-1,p-tert-butylphenyl dihydrogen phosphate,4-tert-butylphenyl dihydrogen phosphate,OP(O)(=O)Oc1ccc(cc1)C(C)(C)C,OP(O)(=O)Oc1ccc(cc1)C(C)(C)C,"InChI=1/C10H15O4P/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13/h4-7H,1-3H3,(H2,11,12,13)",C10H15O4P,,,,,,BFVWABPNHXPWPS-UHFFFAOYSA-N,,,,,,,,,,,
100.033.203,236-539-5,13423-48-8,Heptyltriphenylphosphonium bromide,heptyl(triphenyl)phosphonium bromide,[Br-].CCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1",C25H30P.Br,,,,,,WCZSOHSGMBVYFW-UHFFFAOYSA-M,,,,,,,,,,,
100.033.212,236-548-4,13429-12-4,"4-bromo-3,5-dihydroxybenzamide","4-bromo-3,5-dihydroxybenzamide",NC(=O)c1cc(O)c(Br)c(O)c1,NC(=O)c1cc(O)c(Br)c(O)c1,"InChI=1/C7H6BrNO3/c8-6-4(10)1-3(7(9)12)2-5(6)11/h1-2,10-11H,(H2,9,12)",C7H6BrNO3,,,,,,GCNIEGHLVCGBRA-UHFFFAOYSA-N,,,,,,,,,,,
100.033.213,236-550-5,13429-27-1,Potassium myristate,potassium myristate,[K+].CCCCCCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/C14H28O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1",C14H28O2.K,,,,,,PYJBVGYZXWPIKK-UHFFFAOYSA-M,,,,,,,,,,,
100.033.215,236-552-6,13429-83-9,"4,7,7-trimethyl(2-oxabicyclo[2.2.1]hept-1-yl)carboxylic acid","4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid",CC1(C)C2(C)CCC1(OC2=O)C(=O)O,CC1(C)C2(C)CCC1(OC2=O)C(=O)O,"InChI=1/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)",C10H14O4,,,,,,KPWKPGFLZGMMFX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.044,266-069-6,66019-20-3,"Trisodium 3-[(o-arsonatophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonate",-,[Na+].[Na+].[Na+].[O-][As]([O-])(=O)c3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-][As]([O-])(=O)c3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H13AsN2O11S2.3Na/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24;;;/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-4",C16H13AsN2O11S2.3Na,,,,,,NBVFGAJJMPGDDH-UHFFFAOYSA-J,,,,,,,,,,,
100.060.049,266-074-3,66027-97-2,Dimethyl[2-[2-[methylbis(2-methylpropyl)phenoxy]ethoxy]ethyl]amine,"2-[2-(3,4-diisobutyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine",CC(C)Cc1ccc(OCCOCCN(C)C)c(C)c1CC(C)C,CC(C)Cc1ccc(OCCOCCN(C)C)c(C)c1CC(C)C,"InChI=1/C21H37NO2/c1-16(2)14-19-8-9-21(18(5)20(19)15-17(3)4)24-13-12-23-11-10-22(6)7/h8-9,16-17H,10-15H2,1-7H3",C21H37NO2,,,,,,OVVOCHPIOCOTSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.059,266-085-3,66046-06-8,Tris(2-hydroxyethyl)ammonium ditetradecyl phosphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium ditetradecyl phosphate",CCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCC.OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCC.OCC[NH+](CCO)CCO,"InChI=1/C28H59O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-28H2,1-2H3,(H,29,30);8-10H,1-6H2",C28H59O4P.C6H15NO3,,,,,,OMCMSAKOUKZEDS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.067,266-094-2,66054-26-0,"N-[3-(hexadecyloxy)propyl]propane-1,3-diamine","N-[3-(hexadecyloxy)propyl]propane-1,3-diamine",CCCCCCCCCCCCCCCCOCCCNCCCN,CCCCCCCCCCCCCCCCOCCCNCCCN,"InChI=1/C22H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-25-22-17-20-24-19-16-18-23/h24H,2-23H2,1H3",C22H48N2O,,,,,,JKVCENSTXGEMCE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.960,267-076-7,67785-93-7,Dipotassium (R)-12-(sulphonatooxy)oleate,dipotassium 12-(sulfonatooxy)octadec-9-enoate,[K+].[K+].CCCCCC[C@H](C\\C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)[O-],[K+].[K+].CCCCCC[C@H](C\C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)[O-],"InChI=1/C18H34O6S.2K/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20;;/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2",C18H34O6S.2K,,,,,,MLXJANQMZFAJBH-GKKIQAINSA-L,,,,,,,,,,,
100.060.962,267-078-8,67785-95-9,(Z)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-9-octadecenamide,N-{2-[ethyl(2-hydroxyethyl)amino]ethyl}octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCN(CC)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)NCCN(CC)CCO,"InChI=1/C24H48N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27/h11-12,27H,3-10,13-23H2,1-2H3,(H,25,28)",C24H48N2O2,,,,,,KLQRKYZWLSWRCA-QXMHVHEDSA-N,,,,,,,,,,,
100.060.976,267-094-5,67786-18-9,"Disodium 7-[[4-[(4-amino-o-tolyl)azo]phenyl]azo]naphthalene-1,3-disulphonate","disodium 7-({4-[(4-amino-2-methylphenyl)diazenyl]phenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc4ccc(N=Nc3ccc(N)cc3C)cc4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc4ccc(N=Nc3ccc(N)cc3C)cc4)S([O-])(=O)=O,"InChI=1/C23H19N5O6S2.2Na/c1-14-10-16(24)3-9-22(14)28-26-18-7-5-17(6-8-18)25-27-19-4-2-15-11-20(35(29,30)31)13-23(21(15)12-19)36(32,33)34;;/h2-13H,24H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C23H19N5O6S2.2Na,,,,,,COHFAALKNDFMQZ-UHFFFAOYSA-L,,,,,,,,,,,
100.060.977,267-095-0,67786-23-6,"Disodium 5-[[2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-5-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-({2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc5c(cc(N=Nc3cc(cc2cc(c(N=Nc1ccc(cc1)[N+]([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5N=Nc4cc(ccc4O)[N+]([O-])=O)N=Nc6ccc(cc6)[N+]([O-])=O,[Na+].[Na+].Oc5c(cc(N=Nc3cc(cc2cc(c(N=Nc1ccc(cc1)[N+]([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5N=Nc4cc(ccc4O)[N+]([O-])=O)N=Nc6ccc(cc6)[N+]([O-])=O,"InChI=1/C34H21N11O16S2.2Na/c46-27-10-9-21(45(54)55)13-23(27)37-42-31-32(47)25(39-35-17-1-5-19(6-2-17)43(50)51)15-26(33(31)48)40-38-24-14-22(62(56,57)58)11-16-12-28(63(59,60)61)30(34(49)29(16)24)41-36-18-3-7-20(8-4-18)44(52)53;;/h1-15,46-49H,(H,56,57,58)(H,59,60,61);;/q;2*+1/p-2",C34H21N11O16S2.2Na,,,,,,ISORXBGSVPSTPO-UHFFFAOYSA-L,,,,,,,,,,,
100.060.978,267-096-6,67786-24-7,"Sodium 6-amino-5-[(2,5-dichlorophenyl)azo]-4-hydroxynaphthalene-2-sulphonate","sodium 6-amino-5-[(2,5-dichlorophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate",[Na+].Clc3ccc(Cl)cc3N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O,[Na+].Clc3ccc(Cl)cc3N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O,"InChI=1/C16H11Cl2N3O4S.Na/c17-9-2-3-11(18)13(6-9)20-21-16-12(19)4-1-8-5-10(26(23,24)25)7-14(22)15(8)16;/h1-7,22H,19H2,(H,23,24,25);/q;+1/p-1",C16H11Cl2N3O4S.Na,,,,,,LGWUKZYAVWSXMP-UHFFFAOYSA-M,,,,,,,,,,,
100.060.988,267-106-9,67800-82-2,"a-ethyl-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-methanol","1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)propan-1-ol",CCC(O)C1CC2C(C=C1C)C2(C)C,CCC(O)C1CC2C(C=C1C)C2(C)C,"InChI=1/C13H22O/c1-5-12(14)9-7-11-10(6-8(9)2)13(11,3)4/h6,9-12,14H,5,7H2,1-4H3",C13H22O,,,,,,CROUXCFPFDNCIO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.989,267-107-4,67800-83-3,6-ethyl-2-methyl-6-decen-5-ol,6-ethyl-2-methyldec-6-en-5-ol,CCCC=C(CC)C(O)CCC(C)C,CCCC=C(CC)C(O)CCC(C)C,"InChI=1/C13H26O/c1-5-7-8-12(6-2)13(14)10-9-11(3)4/h8,11,13-14H,5-7,9-10H2,1-4H3",C13H26O,,,,,,IDAMESLCQFKSKF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.990,267-109-5,67800-84-4,2-[(4-methoxyphenyl)methylene]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one,1-isopropyl-2-(4-methoxybenzylidene)-4-methylbicyclo[3.1.0]hexan-3-one,CC(C)C23CC3C(C)C(=O)C2=Cc1ccc(OC)cc1,CC(C)C23CC3C(C)C(=O)C2=Cc1ccc(OC)cc1,"InChI=1/C18H22O2/c1-11(2)18-10-16(18)12(3)17(19)15(18)9-13-5-7-14(20-4)8-6-13/h5-9,11-12,16H,10H2,1-4H3",C18H22O2,,,,,,FUCFYAOLAKHLBH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.471,265-437-3,65104-65-6,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosanol","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-1-ol",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H5F37O/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h58H,1-2H2",C20H5F37O,,,,,,FDCQNVKWWMNRQN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.476,265-443-6,65104-95-2,Dihexadecenyl hydrogen phosphate,dihexadec-1-en-1-yl hydrogen phosphate,OP(=O)(OC=CCCCCCCCCCCCCCC)OC=CCCCCCCCCCCCCCC,OP(=O)(OC=CCCCCCCCCCCCCCC)OC=CCCCCCCCCCCCCCC,"InChI=1/C32H63O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32H,3-28H2,1-2H3,(H,33,34)",C32H63O4P,,,,,,LKCZDBORQLFPRP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.484,265-452-5,65113-96-4,"6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-one","6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-one",CCC(=O)C=CCC1C\\C=C(\\C)C1(C)C,CCC(=O)C=CCC1C\C=C(\C)C1(C)C,"InChI=1/C14H22O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6,8-9,12H,5,7,10H2,1-4H3",C14H22O,,,,,,TWUIRVFTSHQTGA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.486,265-454-6,65114-01-4,"2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenal","2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enal",CC(=CCC1C\\C=C(\\C)C1(C)C)C=O,CC(=CCC1C\C=C(\C)C1(C)C)C=O,"InChI=1/C13H20O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,9,12H,7-8H2,1-4H3",C13H20O,,,,,,AAPLYDDEQVREDC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.487,265-455-1,65114-02-5,"2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenal","2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enal",O=CC(CC)=CCC1C\\C=C(\\C)C1(C)C,O=CC(CC)=CCC1C\C=C(\C)C1(C)C,"InChI=1/C14H22O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,10,13H,5,8-9H2,1-4H3",C14H22O,,,,,,RJTHDCSHVMQKDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.489,265-457-2,65119-94-0,Lead dibutanolate,-,[Pb+2].CCCC[O-].[O-]CCCC,[Pb+2].CCCC[O-].[O-]CCCC,"InChI=1/2C4H9O.Pb.2H/c2*1-2-3-4-5;;;/h2*2-4H2,1H3;;;/q2*-1;+4;;/r2C4H9O.H2Pb/c2*1-2-3-4-5;/h2*2-4H2,1H3;1H2/q2*-1;+4",C4H10O.1/2Pb,,,,,,AGZCHLPJCXXPDM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.147,261-781-3,59480-92-1,"2,5-dimethyl-3-pyrroline","2,5-dimethyl-2,5-dihydro-1H-pyrrole",CC1NC(C)C=C1,CC1NC(C)C=C1,"InChI=1/C6H11N/c1-5-3-4-6(2)7-5/h3-7H,1-2H3",C6H11N,,,,,,TXQDHQBSNAJSHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.148,261-782-9,59483-54-4,3-chloro-2-nitroaniline,3-chloro-2-nitroaniline,Nc1cccc(Cl)c1[N+](=O)[O-],Nc1cccc(Cl)c1[N+](=O)[O-],"InChI=1/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2",C6H5ClN2O2,,,,,,YADOEPHJIBKBCN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.150,261-785-5,59487-23-9,"4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide","4-({5-[(4-carbamoylphenyl)carbamoyl]-2-methoxyphenyl}diazenyl)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide",COc1cc(OC)c(cc1Cl)NC(=O)c5cc2ccccc2c(N=Nc3cc(ccc3OC)C(=O)Nc4ccc(cc4)C(N)=O)c5O,COc1cc(OC)c(cc1Cl)NC(=O)c5cc2ccccc2c(N=Nc3cc(ccc3OC)C(=O)Nc4ccc(cc4)C(N)=O)c5O,"InChI=1/C34H28ClN5O7/c1-45-27-13-10-20(33(43)37-21-11-8-18(9-12-21)32(36)42)15-26(27)39-40-30-22-7-5-4-6-19(22)14-23(31(30)41)34(44)38-25-16-24(35)28(46-2)17-29(25)47-3/h4-17,41H,1-3H3,(H2,36,42)(H,37,43)(H,38,44)",C34H28ClN5O7,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11266,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.150,DZYFEMTUCDZMSP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.153,261-788-1,59493-82-2,p-[(undecafluorohexenyl)oxy]benzenesulphonyl chloride,"4-[(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-en-1-yl)oxy]benzenesulfonyl chloride",FC(Oc1ccc(cc1)S(Cl)(=O)=O)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(Oc1ccc(cc1)S(Cl)(=O)=O)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H4ClF11O3S/c13-28(25,26)6-3-1-5(2-4-6)27-8(15)7(14)9(16,17)10(18,19)11(20,21)12(22,23)24/h1-4H",C12H4ClF11O3S,,,,,,JHPOMBWYTNUPKL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.157,261-792-3,59510-79-1,"Phenyl[[(2,2,2-trichloroethoxy)carbonyl]amino]acetic acid","phenyl{[(2,2,2-trichloroethoxy)carbonyl]amino}acetic acid",OC(=O)C(NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1,OC(=O)C(NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1,"InChI=1/C11H10Cl3NO4/c12-11(13,14)6-19-10(18)15-8(9(16)17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)",C11H10Cl3NO4,,,,,,LROKCBKQEZCUKI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.167,261-803-1,59558-23-5,p-tolyl octanoate,4-methylphenyl octanoate,CCCCCCCC(=O)Oc1ccc(C)cc1,CCCCCCCC(=O)Oc1ccc(C)cc1,"InChI=1/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3",C15H22O2,,,,,,ALRYNTSLFYRKGF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.168,261-804-7,59562-58-2,"Diphosphoric acid, compound with dibutylamine",diphosphoric acid - N-butylbutan-1-amine (1:1),CCCCNCCCC.OP(=O)(O)OP(=O)(O)O,CCCCNCCCC.OP(=O)(O)OP(=O)(O)O,"InChI=1/C8H19N.H4O7P2/c1-3-5-7-9-8-6-4-2;1-8(2,3)7-9(4,5)6/h9H,3-8H2,1-2H3;(H2,1,2,3)(H2,4,5,6)",C8H19N.xH4O7P2,,,,,,GFFBAXKJVPVOAP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.169,261-805-2,59562-82-2,"3,3-dimethylbutane-1,2-diol","3,3-dimethylbutane-1,2-diol",CC(C)(C)C(O)CO,CC(C)(C)C(O)CO,"InChI=1/C6H14O2/c1-6(2,3)5(8)4-7/h5,7-8H,4H2,1-3H3",C6H14O2,,,,,,YVHAOWGRHCPODY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.342,264-196-1,63451-34-3,"Dipotassium [2,2'-biquinoline]-4,4'-dicarboxylate","dipotassium 2,2'-biquinoline-4,4'-dicarboxylate",[K+].[K+].[O-]C(=O)c1cc(nc2ccccc12)c3cc(C(=O)[O-])c4ccccc4n3,[K+].[K+].[O-]C(=O)c1cc(nc2ccccc12)c3cc(C(=O)[O-])c4ccccc4n3,"InChI=1/C20H12N2O4.2K/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2",C20H12N2O4.2K,,,,,,WCYSOCFXPUNTJG-UHFFFAOYSA-L,,,,,,,,,,,
100.060.889,266-998-7,67754-22-7,"2-[[3-(acetoxy)-2-[(acetoxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetoxy)methyl]propane-1,3-diyl diacetate",3-acetoxy-2-{[3-acetoxy-2-(acetoxymethyl)-2-(hydroxymethyl)propoxy]methyl}-2-(acetoxymethyl)propyl acetate (non-preferred name),CC(=O)OCC(CO)(COCC(COC(=O)C)(COC(=O)C)COC(=O)C)COC(=O)C,CC(=O)OCC(CO)(COCC(COC(=O)C)(COC(=O)C)COC(=O)C)COC(=O)C,"InChI=1/C20H32O12/c1-14(22)28-9-19(6-21,10-29-15(2)23)7-27-8-20(11-30-16(3)24,12-31-17(4)25)13-32-18(5)26/h21H,6-13H2,1-5H3",C20H32O12,,,,,,VZVWNXVAXMKIBP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.891,267-000-2,67755-97-9,2-hydroxy-3-methylbutyraldehyde,2-hydroxy-3-methylbutanal,CC(C)C(O)C=O,CC(C)C(O)C=O,"InChI=1/C5H10O2/c1-4(2)5(7)3-6/h3-5,7H,1-2H3",C5H10O2,,,,,,VKYKDJZVZBURQF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.765,260-260-8,56563-25-8,"Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate","ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxopentanoate",O=C(C(=COCC)C(=O)OCC)C(C)(OCC)OCC,O=C(C(=COCC)C(=O)OCC)C(C)(OCC)OCC,"InChI=1/C14H24O6/c1-6-17-10-11(13(16)18-7-2)12(15)14(5,19-8-3)20-9-4/h10H,6-9H2,1-5H3",C14H24O6,,,,,,RDUACTOLQQHQBU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.767,260-262-9,56564-73-9,2-methyl-7-(1-methylpropyl)naphthalene,2-sec-butyl-7-methylnaphthalene,CCC(C)c1ccc2ccc(C)cc2c1,CCC(C)c1ccc2ccc(C)cc2c1,"InChI=1/C15H18/c1-4-12(3)14-8-7-13-6-5-11(2)9-15(13)10-14/h5-10,12H,4H2,1-3H3",C15H18,,,,,,JQBSVVWCUAFQOU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.769,260-265-5,56573-79-6,Oxanol,tetrahydro-2H-pyran-2-ol,OC1CCCCO1,OC1CCCCO1,"InChI=1/C5H10O2/c6-5-3-1-2-4-7-5/h5-6H,1-4H2",-,,,,,,CELWCAITJAEQNL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.771,260-267-6,56578-18-8,(E)-5-decenol,dec-5-en-1-ol,CCCC\\C=C\\CCCCO,CCCC\C=C\CCCCO,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h5-6,11H,2-4,7-10H2,1H3",C10H20O,,,,,,WYPQHXVMNVEVEB-AATRIKPKSA-N,,,,,,,,,,,
100.054.778,260-274-4,56593-87-4,2-ethyloctahydro-1H-isoindol-1-one,2-ethyloctahydro-1H-isoindol-1-one,CCN1CC2CCCCC2C1=O,CCN1CC2CCCCC2C1=O,"InChI=1/C10H17NO/c1-2-11-7-8-5-3-4-6-9(8)10(11)12/h8-9H,2-7H2,1H3",C10H17NO,,,,,,CXNXIANFHSQCEO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.780,260-277-0,56600-56-7,"1,6-diamino-7H-benz[de]anthracen-7-one","1,6-diamino-7H-benzo[de]anthracen-7-one",Nc1ccc2ccc(N)c3c4ccccc4C(=O)c1c23,Nc1ccc2ccc(N)c3c4ccccc4C(=O)c1c23,"InChI=1/C17H12N2O/c18-12-7-5-9-6-8-13(19)16-14(9)15(12)10-3-1-2-4-11(10)17(16)20/h1-8H,18-19H2",C17H12N2O,,,,,,BRSFNKPRNHRKAT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.787,260-284-9,56609-17-7,3-nitro-5-sulphosalicylic acid,2-hydroxy-3-nitro-5-sulfobenzoic acid,OC(=O)c1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)O,OC(=O)c1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H5NO8S/c9-6-4(7(10)11)1-3(17(14,15)16)2-5(6)8(12)13/h1-2,9H,(H,10,11)(H,14,15,16)",C7H5NO8S,,,,,,ULEVDAVOVJCFSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.789,260-287-5,56613-80-0,(R)-ß-aminophenethyl alcohol,2-amino-2-phenylethanol,N[C@@H](CO)c1ccccc1,N[C@@H](CO)c1ccccc1,"InChI=1/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2",C8H11NO,,,,,,IJXJGQCXFSSHNL-QMMMGPOBSA-N,,,,,,,,,,,
100.054.800,260-299-0,56633-51-3,N-(N-formyl-L-a-aspartyl)-3-phenyl-L-alanine,N-formyl-alpha-aspartyl-L-phenylalanine,OC(=O)C[C@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,OC(=O)C[C@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C14H16N2O6/c17-8-15-10(7-12(18)19)13(20)16-11(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)",C14H16N2O6,,,,,,WYYUBJAMROQJSF-QWRGUYRKSA-N,,,,,,,,,,,
100.047.488,252-253-3,34861-30-8,2-(4-pyridylamino)benzoic acid,2-(pyridin-4-ylamino)benzoic acid,OC(=O)c1ccccc1Nc2ccncc2,OC(=O)c1ccccc1Nc2ccncc2,"InChI=1/C12H10N2O2/c15-12(16)10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-8H,(H,13,14)(H,15,16)",C12H10N2O2,,,,,,MJHIUTGYCYFAQM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.490,252-255-4,34866-46-1,[5-[2-[(tert-butyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]uronium chloride,N-[amino(hydroxy)methylene]-5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyanilinium chloride,[Cl-].CC(C)(C)NCC(O)c1ccc(O)c(c1)[NH+]=C(N)O,[Cl-].CC(C)(C)NCC(O)c1ccc(O)c(c1)[NH+]=C(N)O,"InChI=1/C13H21N3O3.ClH/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19;/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19);1H",C13H21N3O3.ClH,,,,,,QHWYYBXPBFQGNI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.496,252-262-2,34870-88-7,"Decyl octyl hydrogen benzene-1,2,4-tricarboxylate",4-[(decyloxy)carbonyl]-3-[(octyloxy)carbonyl]benzoic acid,CCCCCCCCCCOC(=O)c1ccc(cc1C(=O)OCCCCCCCC)C(=O)O,CCCCCCCCCCOC(=O)c1ccc(cc1C(=O)OCCCCCCCC)C(=O)O,"InChI=1/C27H42O6/c1-3-5-7-9-11-12-14-16-19-32-26(30)23-18-17-22(25(28)29)21-24(23)27(31)33-20-15-13-10-8-6-4-2/h17-18,21H,3-16,19-20H2,1-2H3,(H,28,29)",C27H42O6,,,,,,DBHLGETWEBINBX-UHFFFAOYSA-N,,,,,,,,,,,
100.033.224,236-562-0,13434-24-7,Manganese bis(2-ethylhexanoate),manganese(2+) bis(2-ethylhexanoate),[Mn+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Mn+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Mn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Mn,,,,,,FHRAKXJVEOBCBQ-UHFFFAOYSA-L,,,,,,,,,,,
100.033.226,236-564-1,13435-09-1,Dianilinodimethylsilane,"1,1-dimethyl-N,N'-diphenylsilanediamine",C[Si](C)(Nc1ccccc1)Nc2ccccc2,C[Si](C)(Nc1ccccc1)Nc2ccccc2,"InChI=1/C14H18N2Si/c1-17(2,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12,15-16H,1-2H3",C14H18N2Si,,,,,,LMBXAKYWWMNNCR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.229,236-567-8,13435-46-6,Barium chloroanilinate,"[2,5-dichloro-3,6-di(hydroxy-kappaO)-1,4-benzoquinonato(2-)]barium",ClC1=C2O[Ba]OC(=C(Cl)C2=O)C1=O,ClC1=C2O[Ba]OC(=C(Cl)C2=O)C1=O,"InChI=1/C6H2Cl2O4.Ba/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+2/p-2",C6H2Cl2O4.Ba,,,,,,IPBSAQBBXCGJQG-UHFFFAOYSA-L,,,,,,,,,,,
100.033.233,236-572-5,13436-82-3,But-2-enyltriethoxysilane,but-2-en-1-yl(triethoxy)silane,CCO[Si](OCC)(OCC)CC=CC,CCO[Si](OCC)(OCC)CC=CC,"InChI=1/C10H22O3Si/c1-5-9-10-14(11-6-2,12-7-3)13-8-4/h5,9H,6-8,10H2,1-4H3",C10H22O3Si,,,,,,GKBKTZVWTWAFSW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.899,260-408-1,56862-58-9,3'-methoxy-4'-(methoxymethoxy)cinnamaldehyde,3-[3-methoxy-4-(methoxymethoxy)phenyl]acrylaldehyde,COCOc1ccc(C=CC=O)cc1OC,COCOc1ccc(C=CC=O)cc1OC,"InChI=1/C12H14O4/c1-14-9-16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,9H2,1-2H3",C12H14O4,,,,,,DSMOYXWZPJLKEI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.907,260-417-0,56878-32-1,"Tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxy-4-sulphonatophenyl)azo]naphthalene-2-sulphonate]",tetrasodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxy-4-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methoxy-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].COc6cc(ccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccc(cc1OC)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc6cc(ccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccc(cc1OC)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H28N6O17S4.4Na/c1-57-27-15-21(59(45,46)47)5-9-25(27)38-40-31-29(61(51,52)53)13-17-11-19(3-7-23(17)33(31)42)36-35(44)37-20-4-8-24-18(12-20)14-30(62(54,55)56)32(34(24)43)41-39-26-10-6-22(60(48,49)50)16-28(26)58-2;;;;/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C35H28N6O17S4.4Na,,,,,,LEWUDGVXJFXTRY-UHFFFAOYSA-J,,,,,,,,,,,
100.054.909,260-419-1,56884-75-4,Propylhydrazinium oxalate,bis(propyldiazanium) oxalate,CCC[NH2+]N.CCC[NH2+]N.[O-]C(=O)C(=O)[O-],CCC[NH2+]N.CCC[NH2+]N.[O-]C(=O)C(=O)[O-],"InChI=1/2C3H10N2.C2H2O4/c2*1-2-3-5-4;3-1(4)2(5)6/h2*5H,2-4H2,1H3;(H,3,4)(H,5,6)",C3H10N2.xC2H2O4,,,,,,XOLIYJRWRHEDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.910,260-420-7,56890-89-2,"1,2,3,4,7,7-hexachloro-5-(tribromophenyl)bicyclo[2.2.1]hept-2-ene","1,2,3,4,7,7-hexachloro-5-(2,3,4-tribromophenyl)bicyclo[2.2.1]hept-2-ene",ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)c3ccc(Br)c(Br)c3Br,ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)c3ccc(Br)c(Br)c3Br,"InChI=1/C13H5Br3Cl6/c14-6-2-1-4(7(15)8(6)16)5-3-11(19)9(17)10(18)12(5,20)13(11,21)22/h1-2,5H,3H2",C13H5Br3Cl6,,,,,,KQTUTUFFRWMPMY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.912,260-422-8,56896-76-5,6-methylbenzothiazol-2-amine monohydrochloride,"6-methyl-1,3-benzothiazol-2-amine hydrochloride",Cl.Cc1ccc2nc(N)sc2c1,Cl.Cc1ccc2nc(N)sc2c1,"InChI=1/C8H8N2S.ClH/c1-5-2-3-6-7(4-5)11-8(9)10-6;/h2-4H,1H3,(H2,9,10);1H",C8H8N2S.ClH,,,,,,LSZDFOQRIMQFIV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.916,260-427-5,56912-29-9,"N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]valeramide","2-(4-{[4-(benzyloxy)phenyl]sulfonyl}phenoxy)-N-{2-chloro-5-[(hexadecylsulfonyl)amino]phenyl}-4,4-dimethyl-3-oxopentanamide",CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C(Oc2ccc(cc2)S(=O)(=O)c3ccc(OCc4ccccc4)cc3)C(=O)C(C)(C)C)c1,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C(Oc2ccc(cc2)S(=O)(=O)c3ccc(OCc4ccccc4)cc3)C(=O)C(C)(C)C)c1,"InChI=1/C48H63ClN2O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-60(54,55)51-38-24-33-43(49)44(35-38)50-47(53)45(46(52)48(2,3)4)59-40-27-31-42(32-28-40)61(56,57)41-29-25-39(26-30-41)58-36-37-22-19-18-20-23-37/h18-20,22-33,35,45,51H,5-17,21,34,36H2,1-4H3,(H,50,53)",C48H63ClN2O8S2,,,,,,WUJTWJZEQRSSPU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.923,260-434-3,56919-12-1,4-chlorotoluene-3-sulphonic acid,2-chloro-5-methylbenzenesulfonic acid,Cc1ccc(Cl)c(c1)S(=O)(=O)O,Cc1ccc(Cl)c(c1)S(=O)(=O)O,"InChI=1/C7H7ClO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3,(H,9,10,11)",C7H7ClO3S,,,,,,ZZKWWRXVSXCBIU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.924,260-435-9,56922-56-6,"1-(1-phenylethyl)-4-[1-(3,4-xylyl)ethyl]benzene","1,2-dimethyl-4-{1-[4-(1-phenylethyl)phenyl]ethyl}benzene",CC(c1ccccc1)c2ccc(cc2)C(C)c3ccc(C)c(C)c3,CC(c1ccccc1)c2ccc(cc2)C(C)c3ccc(C)c(C)c3,"InChI=1/C24H26/c1-17-10-11-24(16-18(17)2)20(4)23-14-12-22(13-15-23)19(3)21-8-6-5-7-9-21/h5-16,19-20H,1-4H3",C24H26,,,,,,NTASRDMNIODWLU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.992,267-111-6,67800-86-6,"2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane","2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane",CCOC1C(C)(C)C2CCC1(C)C2,CCOC1C(C)(C)C2CCC1(C)C2,"InChI=1/C12H22O/c1-5-13-10-11(2,3)9-6-7-12(10,4)8-9/h9-10H,5-8H2,1-4H3",C12H22O,,,,,,OGKAJQBGLDYVDV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.995,267-114-2,67800-90-2,"2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-[3-(triethylammonio)propyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethylnaphth[1,2-d]oxazolium diperchlorate","2-(3-{5-chloro-3-ethyl-1-[3-(triethylammonio)propyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}prop-1-en-1-yl)-1-ethylnaphtho[1,2-d][1,3]oxazol-1-ium diperchlorate",[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.CC[N+](CC)(CC)CCCN4c5ccc(Cl)cc5N(CC)C4=CC=Cc3oc2ccc1ccccc1c2[n+]3CC,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.CC[N+](CC)(CC)CCCN4c5ccc(Cl)cc5N(CC)C4=CC=Cc3oc2ccc1ccccc1c2[n+]3CC,"InChI=1/C34H43ClN4O.2ClHO4/c1-6-36-30-25-27(35)20-21-29(30)38(23-14-24-39(8-3,9-4)10-5)32(36)17-13-18-33-37(7-2)34-28-16-12-11-15-26(28)19-22-31(34)40-33;2*2-1(3,4)5/h11-13,15-22,25H,6-10,14,23-24H2,1-5H3;2*(H,2,3,4,5)/q+2;;/p-2",C34H43ClN4O.2ClO4,,,,,,RXMDZRVBDBWJKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.054.850,260-354-9,56718-71-9,p-(2-methoxyethyl)phenol,4-(2-methoxyethyl)phenol,COCCc1ccc(O)cc1,COCCc1ccc(O)cc1,"InChI=1/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3",C9H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13533,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.850,FAYGEALAEQKPDI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.855,260-360-1,56740-71-7,"4,4-diphenylbutan-1-ol","4,4-diphenylbutan-1-ol",OCCCC(c1ccccc1)c2ccccc2,OCCCC(c1ccccc1)c2ccccc2,"InChI=1/C16H18O/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2",C16H18O,,,,,,VXHWNYWSQHXOLC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.862,260-368-5,56760-63-5,N-[2-[(2-hydroxyethyl)amino]ethyl]decan-1-amide,N-{2-[(2-hydroxyethyl)amino]ethyl}decanamide,CCCCCCCCCC(=O)NCCNCCO,CCCCCCCCCC(=O)NCCNCCO,"InChI=1/C14H30N2O2/c1-2-3-4-5-6-7-8-9-14(18)16-11-10-15-12-13-17/h15,17H,2-13H2,1H3,(H,16,18)",C14H30N2O2,,,,,,VBPBYXBHSIGNEL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.866,260-372-7,56767-18-1,"(2E,6E)-2,6-octadienal","octa-2,6-dienal",C\\C=C\\CC\\C=C\\C=O,C\C=C\CC\C=C\C=O,"InChI=1/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3",C8H12O,,,,,,CBXNRMOWVZUZQA-BLWKUPHCSA-N,,,,,,,,,,,
100.054.870,260-376-9,56773-61-6,N-ethyl-N-(2-methoxyethyl)-m-toluidine,N-ethyl-N-(2-methoxyethyl)-3-methylaniline,CCN(CCOC)c1cccc(C)c1,CCN(CCOC)c1cccc(C)c1,"InChI=1/C12H19NO/c1-4-13(8-9-14-3)12-7-5-6-11(2)10-12/h5-7,10H,4,8-9H2,1-3H3",C12H19NO,,,,,,QCQGUVVRXARGPG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.873,260-380-0,56776-32-0,"6-chloro-N-ethyl-4-methyl-4-phenyl-4H-3,1-benzoxazin-2-amine monohydrochloride","6-chloro-N-ethyl-4-methyl-4-phenyl-4H-3,1-benzoxazin-2-amine hydrochloride",Cl.CCNC1=Nc2ccc(Cl)cc2C(C)(O1)c3ccccc3,Cl.CCNC1=Nc2ccc(Cl)cc2C(C)(O1)c3ccccc3,"InChI=1/C17H17ClN2O.ClH/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12;/h4-11H,3H2,1-2H3,(H,19,20);1H",C17H17ClN2O.ClH,,,,,,SCBJXEBIMVRTJE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.874,260-381-6,56779-88-5,Sodium [N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)glycinato(3-)]manganate(1-),-,[Na+].O=C1CN2CC(=O)O[Mn-](O1)OC(=O)CN(CC2)CCO,[Na+].O=C1CN2CC(=O)O[Mn-](O1)OC(=O)CN(CC2)CCO,"InChI=1/C10H18N2O7.Mn.Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;/q;+3;+1/p-3",C10H15MnN2O7.Na,,,,,,SNOMUGAZLBPIKG-UHFFFAOYSA-K,,,,,,,,,,,
100.046.506,251-173-6,32718-50-6,a-methoxyphenoxytoluene,1-(benzyloxy)-2-methoxybenzene,COc1ccccc1OCc2ccccc2,COc1ccccc1OCc2ccccc2,"InChI=1/C14H14O2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3",C14H14O2,,,,,,MNELLQACUSWKSP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.511,251-178-3,32724-62-2,"1,4-bis[(2,6-diethyl-4-methylphenyl)amino]anthraquinone","1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthraquinone",CCc1cc(C)cc(CC)c1Nc2ccc(Nc3c(CC)cc(C)cc3CC)c4C(=O)c5ccccc5C(=O)c24,CCc1cc(C)cc(CC)c1Nc2ccc(Nc3c(CC)cc(C)cc3CC)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3",C36H38N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11823,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.511,IBABXJRXGSAJLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.512,251-179-9,32730-64-6,3-chloro-2-methoxypropene,1-(chloromethyl)vinyl methyl ether,COC(=C)CCl,COC(=C)CCl,"InChI=1/C4H7ClO/c1-4(3-5)6-2/h1,3H2,2H3",C4H7ClO,,,,,,YHGBBOXHHMFPBY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.517,251-185-1,32738-09-3,5-methyl-2-thiouridine,"5-methyl-1-pentofuranosyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",CC1=CN(C2OC(CO)C(O)C2O)C(=S)NC1=O,CC1=CN(C2OC(CO)C(O)C2O)C(=S)NC1=O,"InChI=1/C10H14N2O5S/c1-4-2-12(10(18)11-8(4)16)9-7(15)6(14)5(3-13)17-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,18)",C10H14N2O5S,,,,,,SNNBPMAXGYBMHM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.589,252-364-7,35104-88-2,Tin dipalmitate,-,[Sn+4].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Sn+4].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+4/p-2",C16H32O2.1/2Sn,,,,,,LQAFUZGORQPYKQ-UHFFFAOYSA-L,,,,,,,,,,,
100.056.175,261-812-0,59571-08-3,"Isobutyl (Z,Z)-10,10-dibutyl-2-methyl-5,8,12-trioxo-4,9,11-trioxa-10-stannapentadeca-6,13-dien-15-oate","isobutyl 10,10-dibutyl-2-methyl-5,8,12-trioxo-4,9,11-trioxa-10-stannapentadeca-6,13-dien-15-oate",CCCC[Sn](CCCC)(OC(=O)\\C=C/C(=O)OCC(C)C)OC(=O)\\C=C/C(=O)OCC(C)C,CCCC[Sn](CCCC)(OC(=O)\C=C/C(=O)OCC(C)C)OC(=O)\C=C/C(=O)OCC(C)C,"InChI=1/2C8H12O4.2C4H9.Sn/c2*1-6(2)5-12-8(11)4-3-7(9)10;2*1-3-4-2;/h2*3-4,6H,5H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H40O8Sn/c1-7-9-15-33(16-10-8-2,31-23(27)13-11-21(25)29-17-19(3)4)32-24(28)14-12-22(26)30-18-20(5)6/h11-14,19-20H,7-10,15-18H2,1-6H3",C24H40O8Sn,,,,,,UDTOFZLPKAWQOU-VGKOASNMSA-L,,,,,,,,,,,
100.056.178,261-815-7,59583-77-6,"2-[butyl[4-(2,2-dicyanovinyl)-3-methylphenyl]amino]ethyl (3,4-dichlorophenyl)carbamate","2-{butyl[4-(2,2-dicyanovinyl)-3-methylphenyl]amino}ethyl (3,4-dichlorophenyl)carbamate",CCCCN(CCOC(=O)Nc1ccc(Cl)c(Cl)c1)c2ccc(C=C(C#N)C#N)c(C)c2,CCCCN(CCOC(=O)Nc1ccc(Cl)c(Cl)c1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C24H24Cl2N4O2/c1-3-4-9-30(21-7-5-19(17(2)12-21)13-18(15-27)16-28)10-11-32-24(31)29-20-6-8-22(25)23(26)14-20/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,29,31)",C24H24Cl2N4O2,,,,,,YCNGUBLHXKRMKK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.180,261-817-8,59587-08-5,"Sodium 5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinoline-7-carboxylate","sodium 5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylate",[Na+].CCN1C=C(C(=O)[O-])C(=O)c2cc3OCOc3cc12,[Na+].CCN1C=C(C(=O)[O-])C(=O)c2cc3OCOc3cc12,"InChI=1/C13H11NO5.Na/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10;/h3-5H,2,6H2,1H3,(H,16,17);/q;+1/p-1",C13H11NO5.Na,,,,,,WANXPWCBQXXPFK-UHFFFAOYSA-M,,,,,,,,,,,
100.057.569,263-345-8,61949-23-3,L-menthyl formate,2-isopropyl-5-methylcyclohexyl formate,O=COC1CC(C)CCC1C(C)C,O=COC1CC(C)CCC1C(C)C,"InChI=1/C11H20O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7-11H,4-6H2,1-3H3",C11H20O2,,,,,,XEYZAKCJAFSLGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.586,263-364-1,62002-40-8,"5-decyl-4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane","5-decyl-4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane",CCCCCCCCCCC1COCCN2CCOCCOCCN(CCOCC2)CCO1,CCCCCCCCCCC1COCCN2CCOCCOCCN(CCOCC2)CCO1,"InChI=1/C26H52N2O5/c1-2-3-4-5-6-7-8-9-10-26-25-32-21-15-27-11-17-29-18-12-28(16-22-33-26)14-20-31-24-23-30-19-13-27/h26H,2-25H2,1H3",C26H52N2O5,,,,,,AYKASNXTQRDUFS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.589,263-367-8,62007-51-6,"1,1,1-tributoxypentane","1,1,1-tributoxypentane",CCCCOC(CCCC)(OCCCC)OCCCC,CCCCOC(CCCC)(OCCCC)OCCCC,"InChI=1/C17H36O3/c1-5-9-13-17(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3",C17H36O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7742,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.589,YUIXLOBIXABLRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.591,263-369-9,62008-22-4,Calcium diethyl difumarate,4-ethoxy-4-oxobut-2-enoic acid,CCOC(=O)C=CC(=O)O,CCOC(=O)C=CC(=O)O,"InChI=1/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)",C6H8O4.1/2Ca,,,,,,XLYMOEINVGRTEX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.592,263-370-4,62009-47-6,2-aminopropanediamide,2-aminomalonamide,NC(C(=O)N)C(=O)N,NC(C(=O)N)C(=O)N,"InChI=1/C3H7N3O2/c4-1(2(5)7)3(6)8/h1H,4H2,(H2,5,7)(H2,6,8)",C3H7N3O2,,,,,,GFQBSQXXHYLABK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.597,263-376-7,62026-29-3,"Potassium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate","potassium (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate",[K+].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O,[K+].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O,"InChI=1/C9H10N4O4.K/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1",C9H10N4O4.K,,,,,,JHIZOIFJUQBHMW-UHFFFAOYSA-M,,,,,,,,,,,
100.057.601,263-380-9,62036-60-6,"6-tert-butyl-4-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one","6-tert-butyl-4-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one",CSC1=NN=C(C(=O)N1C)C(C)(C)C,CSC1=NN=C(C(=O)N1C)C(C)(C)C,"InChI=1/C9H15N3OS/c1-9(2,3)6-7(13)12(4)8(14-5)11-10-6/h1-5H3",C9H15N3OS,,,,,,VBTUAVIKAKCNHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.109,263-940-2,63148-88-9,"Hydrogen 5-chloro-2-[2-[[5-chloro-3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium, compound with triethylamine (1:1)","hydrogen 4-[5-chloro-2-(2-{[5-chloro-3-(3-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]methylene}butylidene)-1,3-benzothiazol-3(2H)-yl]butane-2-sulfonate N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)C(C)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC(C)S([O-])(=O)=O,[H+].CCN(CC)CC.[O-]S(=O)(=O)C(C)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC(C)S([O-])(=O)=O,"InChI=1/C27H30Cl2N2O6S4.C6H15N.H2/c1-4-19(13-26-30(11-9-17(2)40(32,33)34)22-15-20(28)5-7-24(22)38-26)14-27-31(12-10-18(3)41(35,36)37)23-16-21(29)6-8-25(23)39-27;1-4-7(5-2)6-3;/h5-8,13-18H,4,9-12H2,1-3H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3;1H/q;;+1/p-1",C27H30Cl2N2O6S4.C6H15N,,,,,,NNMQYTMACFLYLD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.118,263-950-7,63149-02-0,"Hydrogen 2-[2-methyl-3-[3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium, compound with triethylamine (1:1)","hydrogen 4-[2-{2-methyl-3-[3-(3-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzothiazol-3(2H)-yl]butane-2-sulfonate N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)C(C)CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCC(C)S([O-])(=O)=O,[H+].CCN(CC)CC.[O-]S(=O)(=O)C(C)CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCC(C)S([O-])(=O)=O,"InChI=1/C26H30N2O6S4.C6H15N.H2/c1-18(16-25-27(14-12-19(2)37(29,30)31)21-8-4-6-10-23(21)35-25)17-26-28(15-13-20(3)38(32,33)34)22-9-5-7-11-24(22)36-26;1-4-7(5-2)6-3;/h4-11,16-17,19-20H,12-15H2,1-3H3,(H-,29,30,31,32,33,34);4-6H2,1-3H3;1H/q;;+1/p-1",C26H30N2O6S4.C6H15N,,,,,,KCSSBAQVWVNGSY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.498,252-264-3,34876-10-3,3-methyl-2-butenoic anhydride,3-methylbut-2-enoic anhydride,CC(=CC(=O)OC(=O)C=C(C)C)C,CC(=CC(=O)OC(=O)C=C(C)C)C,"InChI=1/C10H14O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h5-6H,1-4H3",C10H14O3,,,,,,YQEIMEGRSTXEMX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.501,252-268-5,34880-43-8,2-propylhept-2-enal,2-propylhept-2-enal,CCCCC=C(CCC)C=O,CCCCC=C(CCC)C=O,"InChI=1/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3",C10H18O,,,,,,GADNZGQWPNTMCH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.503,252-270-6,34885-02-4,Piperazine-1-propylamine,3-piperazin-1-ylpropan-1-amine,NCCCN1CCNCC1,NCCCN1CCNCC1,"InChI=1/C7H17N3/c8-2-1-5-10-6-3-9-4-7-10/h9H,1-8H2",C7H17N3,,,,,,UVLSCMIEPPWCHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.511,252-279-5,34907-26-1,"N,N,N-trimethyl-3-nitroanilinium chloride","N,N,N-trimethyl-3-nitroanilinium chloride",[Cl-].C[N+](C)(C)c1cccc(c1)[N+](=O)[O-],[Cl-].C[N+](C)(C)c1cccc(c1)[N+](=O)[O-],"InChI=1/C9H13N2O2.ClH/c1-11(2,3)9-6-4-5-8(7-9)10(12)13;/h4-7H,1-3H3;1H/q+1;/p-1",C9H13N2O2.Cl,,,,,,GHQUMTJGFRNQSR-UHFFFAOYSA-M,,,,,,,,,,,
100.047.512,252-280-0,34909-69-8,Phenyl di(p-tolyl) phosphate,bis(4-methylphenyl) phenyl phosphate,Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccccc3,Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccccc3,"InChI=1/C20H19O4P/c1-16-8-12-19(13-9-16)23-25(21,22-18-6-4-3-5-7-18)24-20-14-10-17(2)11-15-20/h3-15H,1-2H3",C20H19O4P,,,,,,NVMHZSCMWYZDCC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.516,252-284-2,34914-39-1,"2,2',2''-[methylidynetris(thio)]trisacetic acid","2,2',2''-(methanetriyltrisulfanediyl)triacetic acid",OC(=O)CSC(SCC(=O)O)SCC(=O)O,OC(=O)CSC(SCC(=O)O)SCC(=O)O,"InChI=1/C7H10O6S3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h7H,1-3H2,(H,8,9)(H,10,11)(H,12,13)",C7H10O6S3,,,,,,ZBNBQISDCFIEQC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.517,252-285-8,34915-40-7,Diisopropylammonium nitrite,N-isopropylpropan-2-aminium nitrite,CC(C)[NH2+]C(C)C.[O-]N=O,CC(C)[NH2+]C(C)C.[O-]N=O,"InChI=1/C6H15N.HNO2/c1-5(2)7-6(3)4;2-1-3/h5-7H,1-4H3;(H,2,3)",C6H15N.HNO2,,,,,,PDDANVVLWYOEPS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.518,252-286-3,34916-51-3,"3-methylpentane-2,4-dione, monosodium salt",-,[Na+].CC(C(=O)C)C(=O)C,[Na+].CC(C(=O)C)C(=O)C,"InChI=1/C6H10O2.Na/c1-4(5(2)7)6(3)8;/h4H,1-3H3;/q;+1",C6H9O2.Na,,,,,,HCMOMHNFKLTCDC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.520,252-288-4,34922-45-7,"N-(2,3-dihydro-3-oxo-1H-indazol-6-yl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine","N~2~-isobutyryl-N~2~-octadecyl-N-(3-oxo-2,3-dihydro-1H-indazol-6-yl)-L-asparagine",CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1ccc2C(=O)NNc2c1)C(=O)O)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1ccc2C(=O)NNc2c1)C(=O)O)C(=O)C(C)C,"InChI=1/C33H54N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37(32(40)25(2)3)29(33(41)42)24-30(38)34-26-20-21-27-28(23-26)35-36-31(27)39/h20-21,23,25,29H,4-19,22,24H2,1-3H3,(H,34,38)(H,41,42)(H2,35,36,39)",C33H54N4O5,,,,,,POCYRCHYIYFFIA-LJAQVGFWSA-N,,,,,,,,,,,
100.047.523,252-292-6,34924-93-1,4-ethylpiperazin-1-amine,4-ethylpiperazin-1-amine,CCN1CCN(N)CC1,CCN1CCN(N)CC1,"InChI=1/C6H15N3/c1-2-8-3-5-9(7)6-4-8/h2-7H2,1H3",C6H15N3,,,,,,AHAPEYABSDOBIP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.532,252-301-3,34959-30-3,Azaspirium chloride,azaspirium chloride,[Cl-].COc1c2OC3=C(C[N+]4(CCCCC4)CC3=C)C(=O)c2c(OC)c5ccoc15,[Cl-].COc1c2OC3=C(C[N+]4(CCCCC4)CC3=C)C(=O)c2c(OC)c5ccoc15,"InChI=1/C22H24NO5.ClH/c1-13-11-23(8-5-4-6-9-23)12-15-17(24)16-19(25-2)14-7-10-27-20(14)22(26-3)21(16)28-18(13)15;/h7,10H,1,4-6,8-9,11-12H2,2-3H3;1H/q+1;/p-1",C22H24NO5.Cl,,,,,,PYNSMGBGABAWPB-UHFFFAOYSA-M,,,,,,,,,,,
100.058.364,264-220-0,63467-07-2,"2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}imino)diethanol",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCO)CCO)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C16H16Cl2N4O4/c17-14-9-13(22(25)26)10-15(18)16(14)20-19-11-1-3-12(4-2-11)21(5-7-23)6-8-24/h1-4,9-10,23-24H,5-8H2",C16H16Cl2N4O4,,,,,,QODYUYUFBSECEG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.373,264-230-5,63467-18-5,"N-[2-[(3-chloro-4-nitrophenyl)azo]-5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]acetamide","N-(2-[(3-chloro-4-nitrophenyl)diazenyl]-5-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl](ethyl)amino}phenyl)acetamide",[O-][N+](=O)c1ccc(cc1Cl)N=Nc2ccc(cc2NC(C)=O)N(CC)CCN3C(=O)CCC3=O,[O-][N+](=O)c1ccc(cc1Cl)N=Nc2ccc(cc2NC(C)=O)N(CC)CCN3C(=O)CCC3=O,"InChI=1/C22H23ClN6O5/c1-3-27(10-11-28-21(31)8-9-22(28)32)16-5-6-18(19(13-16)24-14(2)30)26-25-15-4-7-20(29(33)34)17(23)12-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,30)",C22H23ClN6O5,,,,,,VNAXPGFEMFHYOF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.925,267-037-4,67763-14-8,"2-ethylhexyl dihydrogen phosphate, compound with tert-dodecylamine","2-ethylhexyl dihydrogen phosphate - 9,9-dimethyldecan-1-amine (1:1)",CCCCC(CC)COP(=O)(O)O.CC(C)(C)CCCCCCCCN,CCCCC(CC)COP(=O)(O)O.CC(C)(C)CCCCCCCCN,"InChI=1/C12H27N.C8H19O4P/c1-12(2,3)10-8-6-4-5-7-9-11-13;1-3-5-6-8(4-2)7-12-13(9,10)11/h4-11,13H2,1-3H3;8H,3-7H2,1-2H3,(H2,9,10,11)",C12H27N.xC8H19O4P,,,,,,HXIYQRSWUCAMDF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.602,240-279-8,16110-51-3,Cromoglicic acid,"5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylic acid)",OC(COc1cccc2OC(=CC(=O)c12)C(=O)O)COc3cccc4OC(=CC(=O)c34)C(=O)O,OC(COc1cccc2OC(=CC(=O)c12)C(=O)O)COc3cccc4OC(=CC(=O)c34)C(=O)O,"InChI=1/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",C23H16O11,,,,,,IMZMKUWMOSJXDT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.605,240-282-4,16111-62-9,Bis(2-ethylhexyl) peroxydicarbonate,"3,3'-[dioxybis(carbonyloxymethylene)]diheptane",CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC,"InChI=1/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",C18H34O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14207,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.605,ZACVGCNKGYYQHA-UHFFFAOYSA-N,,,,,,,,,,,
100.036.608,240-286-6,16118-49-3,Carbetamide,2-(ethylamino)-1-methyl-2-oxoethyl phenylcarbamate,CCNC(=O)C(C)OC(=O)Nc1ccccc1,CCNC(=O)C(C)OC(=O)Nc1ccccc1,"InChI=1/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)",C12H16N2O3,,,,,,AMRQXHFXNZFDCH-UHFFFAOYSA-N,,,,,,,,,,,
100.036.610,240-288-7,16122-27-3,"(Z)-3,6-dioxo-1,1,1,8,8,8-hexaphenyl-2,7-dioxa-1,8-distannaoct-4-ene","3,6-dioxo-1,1,1,8,8,8-hexaphenyl-2,7-dioxa-1,8-distannaoct-4-ene",O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)\\C=C/C(=O)O[Sn](c4ccccc4)(c5ccccc5)c6ccccc6,O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)\C=C/C(=O)O[Sn](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/6C6H5.C4H4O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;1-2H,(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2/rC40H32O4Sn2/c41-39(43-45(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)31-32-40(42)44-46(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H",C40H32O4Sn2,,,,,,IOMRUDPZPOVCQZ-JRKBNQMXSA-L,,,,,,,,,,,
100.036.616,240-295-5,16139-18-7,Carbazamidine hydrochloride,hydrazinecarboximidamide hydrochloride,Cl.NNC(=N)N,Cl.NNC(=N)N,"InChI=1/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H",CH6N4.xClH,,,,,,UBDZFAGVPPMTIT-UHFFFAOYSA-N,,,,,,,,,,,
100.036.618,240-297-6,16143-18-3,"2-[4-(2-[1,1'-biphenyl]-4-ylvinyl)phenyl]-5-tert-butylbenzoxazole","2-[4-(2-biphenyl-4-ylvinyl)phenyl]-5-tert-butyl-1,3-benzoxazole",CC(C)(C)c1ccc2oc(nc2c1)c3ccc(\\C=C\\c4ccc(cc4)c5ccccc5)cc3,CC(C)(C)c1ccc2oc(nc2c1)c3ccc(\C=C\c4ccc(cc4)c5ccccc5)cc3,"InChI=1/C31H27NO/c1-31(2,3)27-19-20-29-28(21-27)32-30(33-29)26-17-13-23(14-18-26)10-9-22-11-15-25(16-12-22)24-7-5-4-6-8-24/h4-21H,1-3H3",C31H27NO,,,,,,SZWQPAIKUHNUMM-MDZDMXLPSA-N,,,,,,,,,,,
100.036.621,240-300-0,16144-91-5,"1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol","1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol",Oc1ccc(O)c2C3CCC(C3)c12,Oc1ccc(O)c2C3CCC(C3)c12,"InChI=1/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2",C11H12O2,,,,,,JYHNNCBQCSLFQM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.132,241-961-8,18050-00-5,Hexylsulphamic acid,hexylsulfamic acid,CCCCCCNS(=O)(=O)O,CCCCCCNS(=O)(=O)O,"InChI=1/C6H15NO3S/c1-2-3-4-5-6-7-11(8,9)10/h7H,2-6H2,1H3,(H,8,9,10)",C6H15NO3S,,,,,,YZOHGORKMOMMDA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.134,241-963-9,18052-83-0,"Triethoxy[1,4,5,6,7,7-hexachloro-5-norbornen-2-yl]silane","triethoxy(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)silane",CCO[Si](OCC)(OCC)C1CC2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,CCO[Si](OCC)(OCC)C1CC2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,"InChI=1/C13H18Cl6O3Si/c1-4-20-23(21-5-2,22-6-3)8-7-11(16)9(14)10(15)12(8,17)13(11,18)19/h8H,4-7H2,1-3H3",C13H18Cl6O3Si,,,,,,AMPGOMIFIUKMJG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.619,233-695-6,10315-59-0,Ethyl methyl sulphite,ethyl methyl sulfite,CCOS(=O)OC,CCOS(=O)OC,"InChI=1/C3H8O3S/c1-3-6-7(4)5-2/h3H2,1-2H3",C3H8O3S,,,,,,FMQCKJHUYDYTMA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.876,233-977-9,10479-30-8,"N,N-bis(phenylmethyl)acetamide","N,N-dibenzylacetamide",CC(=O)N(Cc1ccccc1)Cc2ccccc2,CC(=O)N(Cc1ccccc1)Cc2ccccc2,"InChI=1/C16H17NO/c1-14(18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3",C16H17NO,,,,,,JJGMIJNIKHHXHK-UHFFFAOYSA-N,,,,,,,,,,,
100.030.877,233-978-4,10479-42-2,trans-6-methylcyclohex-3-ene-1-carboxylic acid,6-methylcyclohex-3-ene-1-carboxylic acid,C[C@@H]1CC=CC[C@H]1C(=O)O,C[C@@H]1CC=CC[C@H]1C(=O)O,"InChI=1/C8H12O2/c1-6-4-2-3-5-7(6)8(9)10/h2-3,6-7H,4-5H2,1H3,(H,9,10)",C8H12O2,,,,,,UTEIUSUWIZICDO-RNFRBKRXSA-N,,,,,,,,,,,
100.030.881,233-983-1,10482-46-9,"1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulene","2-isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulene",CC1CCC=C(C)C2CC(=C(C)C)CC12,CC1CCC=C(C)C2CC(=C(C)C)CC12,"InChI=1/C15H24/c1-10(2)13-8-14-11(3)6-5-7-12(4)15(14)9-13/h6,12,14-15H,5,7-9H2,1-4H3",C15H24,,,,,,UZBRCASTOVHNDC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.902,234-006-1,10486-26-7,"1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl propionate","2-isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl propionate",CCC(=O)OC1CC(C)C2CC(=C(C)C)CC2C(=C1)C,CCC(=O)OC1CC(C)C2CC(=C(C)C)CC2C(=C1)C,"InChI=1/C18H28O2/c1-6-18(19)20-15-7-12(4)16-9-14(11(2)3)10-17(16)13(5)8-15/h7,13,15-17H,6,8-10H2,1-5H3",C18H28O2,,,,,,ZXXZNGHSKXHZPG-UHFFFAOYSA-N,,,,,,,,,,,
100.030.908,234-012-4,10489-23-3,Tioctilate,S-octyl benzenecarbothioate,CCCCCCCCSC(=O)c1ccccc1,CCCCCCCCSC(=O)c1ccccc1,"InChI=1/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3",C15H22OS,,,,,,RBWOKKSOBWYZQH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.592,252-367-3,35108-03-3,Dodecyl ethyl carbonate,dodecyl ethyl carbonate,CCCCCCCCCCCCOC(=O)OCC,CCCCCCCCCCCCOC(=O)OCC,"InChI=1/C15H30O3/c1-3-5-6-7-8-9-10-11-12-13-14-18-15(16)17-4-2/h3-14H2,1-2H3",C15H30O3,,,,,,LMSGSHBFYQRPBM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.601,252-377-8,35112-70-0,Lead cyanamide,-,[Pb+2].[NH-]C#N.[NH-]C#N,[Pb+2].[NH-]C#N.[NH-]C#N,InChI=1/2CHN2.Pb.2H/c2*2-1-3;;;/h2*2H;;;/q2*-1;+4;;/r2CHN2.H2Pb/c2*2-1-3;/h2*2H;1H2/q2*-1;+4,CH2N2.1/2Pb,,,,,,YBADESPYOOCIHI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.602,252-378-3,35112-74-4,"3,3,12,12-tetramethoxy-2,13-dioxa-7,8-dithia-3,12-disilatetradecane","3,3,12,12-tetramethoxy-2,13-dioxa-7,8-dithia-3,12-disilatetradecane",CO[Si](CCCSSCCC[Si](OC)(OC)OC)(OC)OC,CO[Si](CCCSSCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C12H30O6S2Si2/c1-13-21(14-2,15-3)11-7-9-19-20-10-8-12-22(16-4,17-5)18-6/h7-12H2,1-6H3",C12H30O6S2Si2,,,,,,NQRACKNXKKOCJY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.068,266-095-8,66062-78-0,"a,3,3-trimethylbicyclo[2.2.1]heptane-2-methanol","1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethanol",CC(O)C1C2CCC(C2)C1(C)C,CC(O)C1C2CCC(C2)C1(C)C,"InChI=1/C11H20O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h7-10,12H,4-6H2,1-3H3",C11H20O,,,,,,DLLWYTGUPJUVGW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.069,266-096-3,66063-05-6,1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea,1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea,Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1,Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1,"InChI=1/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)",C19H21ClN2O,,,,,,OGYFATSSENRIKG-UHFFFAOYSA-N,Positive/Negative,EQ306401|EQ306402|EQ306403|EQ306404|EQ306405|EQ306406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,329.1413:125.015:218.0731|125.0152:329.1414:218.0731|125.0152:94.0651:106.0651|125.0152:94.0651:106.0651|125.0153:89.0385:94.0651|125.0152:89.0385:98.9995,Eawag,EQ306451|EQ306452|EQ306453|EQ306454|EQ306455|EQ306456,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,327.1269:111.0006:92.0505|111.0007:92.0506:327.1269|111.0007:92.0506:154.9906|111.0007:92.0506:154.9906|92.0506:111.0007:154.9907|92.0506:111.0007:154.9906,Eawag
100.060.070,266-097-9,66063-15-8,4-chloro-N-cyclopentylbenzylamine,N-(4-chlorobenzyl)cyclopentanamine,Clc1ccc(CNC2CCCC2)cc1,Clc1ccc(CNC2CCCC2)cc1,"InChI=1/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2",C12H16ClN,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11687,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.070,XIXHUNCZQIRQOG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.105,266-137-5,66087-02-3,Titanium(3+) 2-methylpropanolate,titanium(3+) tris(2-methylpropan-1-olate),[Ti+3].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-],[Ti+3].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-],"InChI=1/3C4H9O.Ti/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3",C4H10O.1/3Ti,,,,,,MBNTUQMIWMXTSB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.106,266-138-0,66095-81-6,2-[(2-methoxy-4-nitrophenyl)amino]ethanol,2-[(2-methoxy-4-nitrophenyl)amino]ethanol,COc1cc(ccc1NCCO)[N+](=O)[O-],COc1cc(ccc1NCCO)[N+](=O)[O-],"InChI=1/C9H12N2O4/c1-15-9-6-7(11(13)14)2-3-8(9)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3",C9H12N2O4,,,,,,DZFVBIGUJAYIFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.752,262-448-5,60833-42-3,Isonicotinaldehyde O-isopropyloxime,isonicotinaldehyde O-isopropyloxime,CC(C)O\\N=C\\c1ccncc1,CC(C)O\N=C\c1ccncc1,"InChI=1/C9H12N2O/c1-8(2)12-11-7-9-3-5-10-6-4-9/h3-8H,1-2H3",C9H12N2O,,,,,,GKIAWRQIOICTMY-YRNVUSSQSA-N,,,,,,,,,,,
100.056.756,262-452-7,60834-65-3,"1-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-2-naphthol","1-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol",CC(C)(C)c1c(O)ccc2CCCCc12,CC(C)(C)c1c(O)ccc2CCCCc12,"InChI=1/C14H20O/c1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15/h8-9,15H,4-7H2,1-3H3",C14H20O,,,,,,XTVWEFCNRUJNGI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.761,262-457-4,60834-78-8,"2,4,6-triisopropyl-m-cresol","2,4,6-triisopropyl-3-methylphenol",CC(C)c1cc(C(C)C)c(O)c(C(C)C)c1C,CC(C)c1cc(C(C)C)c(O)c(C(C)C)c1C,"InChI=1/C16H26O/c1-9(2)13-8-14(10(3)4)16(17)15(11(5)6)12(13)7/h8-11,17H,1-7H3",C16H26O,,,,,,ZGJKGUZCSAJNLW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.762,262-459-5,60834-79-9,"2,4-dicyclopentyl-5,6,7,8-tetrahydro-1-naphthol","2,4-dicyclopentyl-5,6,7,8-tetrahydronaphthalen-1-ol",Oc1c2CCCCc2c(cc1C3CCCC3)C4CCCC4,Oc1c2CCCCc2c(cc1C3CCCC3)C4CCCC4,"InChI=1/C20H28O/c21-20-17-12-6-5-11-16(17)18(14-7-1-2-8-14)13-19(20)15-9-3-4-10-15/h13-15,21H,1-12H2",C20H28O,,,,,,MQMVHENDDKNOFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.765,262-462-1,60834-82-4,"2-cyclopentyl-5,6,7,8-tetrahydro-1-naphthol","2-cyclopentyl-5,6,7,8-tetrahydronaphthalen-1-ol",Oc1c2CCCCc2ccc1C3CCCC3,Oc1c2CCCCc2ccc1C3CCCC3,"InChI=1/C15H20O/c16-15-13-8-4-3-7-12(13)9-10-14(15)11-5-1-2-6-11/h9-11,16H,1-8H2",C15H20O,,,,,,PRXDHKJRAGSLNW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.772,262-470-5,60846-15-3,Ethyl 2-amino-a-(methoxyimino)thiazol-4-acetate,"ethyl (2-amino-1,3-thiazol-4-yl)(methoxyimino)acetate",Nc1nc(cs1)C(=NOC)C(=O)OCC,Nc1nc(cs1)C(=NOC)C(=O)OCC,"InChI=1/C8H11N3O3S/c1-3-14-7(12)6(11-13-2)5-4-15-8(9)10-5/h4H,3H2,1-2H3,(H2,9,10)",C8H11N3O3S,,,,,,POBMBNPEUPDXRS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.778,262-476-8,60858-07-3,2-(3-hexenyl)-5-methylfuran,2-hex-3-en-1-yl-5-methylfuran,Cc1ccc(CCC=CCC)o1,Cc1ccc(CCC=CCC)o1,"InChI=1/C11H16O/c1-3-4-5-6-7-11-9-8-10(2)12-11/h4-5,8-9H,3,6-7H2,1-2H3",C11H16O,,,,,,YCLNYBGZRIUBQT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.780,262-478-9,60864-39-3,"6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)","6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,"InChI=1/C26H31FO6/c1-14-10-20-18-12-22(27)21-11-17(30)6-8-24(21,4)19(18)7-9-25(20,5)26(14,33-16(3)29)23(31)13-32-15(2)28/h6-8,11,14,18,20,22H,9-10,12-13H2,1-5H3",C26H31FO6,,,,,,JNTXVYUQFYREAY-IAADMDSGSA-N,,,,,,,,,,,
100.058.119,263-951-2,63149-03-1,2-methyl-3-(3-sulphonatobutyl)benzothiazolium,"4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate",CC(CC[n+]1c(C)sc2ccccc12)S(=O)(=O)[O-],CC(CC[n+]1c(C)sc2ccccc12)S(=O)(=O)[O-],"InChI=1/C12H15NO3S2/c1-9(18(14,15)16)7-8-13-10(2)17-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3",C12H15NO3S2,,,,,,IMJOWVNDQJOJND-UHFFFAOYSA-N,,,,,,,,,,,
100.058.121,263-953-3,63149-05-3,2-(methylthio)-3-(3-sulphonatopropyl)benzothiazolium,"3-[2-(methylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate",CSc1sc2ccccc2[n+]1CCCS(=O)(=O)[O-],CSc1sc2ccccc2[n+]1CCCS(=O)(=O)[O-],"InChI=1/C11H13NO3S3/c1-16-11-12(7-4-8-18(13,14)15)9-5-2-3-6-10(9)17-11/h2-3,5-6H,4,7-8H2,1H3",C11H13NO3S3,,,,,,RREMLVIQMMQLLV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.755,265-750-5,65407-49-0,"Ethyl 1,6-dihydro-2-methoxy-6-oxopyrimidine-5-carboxylate","ethyl 2-methoxy-6-oxo-1,6-dihydropyrimidine-5-carboxylate",CCOC(=O)C1=CN=C(NC1=O)OC,CCOC(=O)C1=CN=C(NC1=O)OC,"InChI=1/C8H10N2O4/c1-3-14-7(12)5-4-9-8(13-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)",C8H10N2O4,,,,,,RJPMHGXYDBJTGU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.756,265-751-0,65411-49-6,Tetrabutylammonium methanesulphonate,"N,N,N-tributylbutan-1-aminium methanesulfonate",CCCC[N+](CCCC)(CCCC)CCCC.CS(=O)(=O)[O-],CCCC[N+](CCCC)(CCCC)CCCC.CS(=O)(=O)[O-],"InChI=1/C16H36N.CH4O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C16H36N.CH3O3S,,,,,,XHYYGJAYKIYARQ-UHFFFAOYSA-M,,,,,,,,,,,
100.059.757,265-752-6,65411-60-1,1-(morpholinocarbonyl)-4-(2-sulphonatoethyl)pyridinium,2-[1-(morpholin-4-ylcarbonyl)pyridinium-4-yl]ethanesulfonate,[O-]S(=O)(=O)CCc1cc[n+](cc1)C(=O)N2CCOCC2,[O-]S(=O)(=O)CCc1cc[n+](cc1)C(=O)N2CCOCC2,"InChI=1/C12H16N2O5S/c15-12(14-6-8-19-9-7-14)13-4-1-11(2-5-13)3-10-20(16,17)18/h1-2,4-5H,3,6-10H2",C12H16N2O5S,,,,,,BOPPSXQLPUJZRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.764,265-759-4,65416-20-8,"2-benzyl-4,5,6-trimethyl-1,3-dioxane","2-benzyl-4,5,6-trimethyl-1,3-dioxane",CC1OC(Cc2ccccc2)OC(C)C1C,CC1OC(Cc2ccccc2)OC(C)C1C,"InChI=1/C14H20O2/c1-10-11(2)15-14(16-12(10)3)9-13-7-5-4-6-8-13/h4-8,10-12,14H,9H2,1-3H3",C14H20O2,,,,,,SZDSPAWGINTJBP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.632,266-715-7,67543-09-3,1-(4-chlorophenyl)-3-(4-methyl-1-piperazinyl)-2-propyn-1-one,1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-yn-1-one,CN1CCN(CC1)C#CC(=O)c2ccc(Cl)cc2,CN1CCN(CC1)C#CC(=O)c2ccc(Cl)cc2,"InChI=1/C14H15ClN2O/c1-16-8-10-17(11-9-16)7-6-14(18)12-2-4-13(15)5-3-12/h2-5H,8-11H2,1H3",C14H15ClN2O,,,,,,LAIWMWXJMJXQPE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.644,266-728-8,67584-51-4,Potassium N-ethyl-N-[(nonafluorobutyl)sulphonyl]glycinate,potassium {ethyl[(nonafluorobutyl)sulfonyl]amino}acetate,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H8F9NO4S.K/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15;/h2-3H2,1H3,(H,19,20);/q;+1/p-1",C8H8F9NO4S.K,,,,,,IOVJPAWFAJXXKU-UHFFFAOYSA-M,,,,,,,,,,,
100.060.648,266-733-5,67584-55-8,2-[methyl[(nonafluorobutyl)sulphonyl]amino]ethyl acrylate,2-{methyl[(nonafluorobutyl)sulfonyl]amino}ethyl acrylate,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H10F9NO4S/c1-3-6(21)24-5-4-20(2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3H,1,4-5H2,2H3",C10H10F9NO4S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11481,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.648,KEMCLRGAIUJRAN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.650,266-735-6,67584-57-0,2-[methyl[(tridecafluorohexyl)sulphonyl]amino]ethyl acrylate,2-{methyl[(tridecafluorohexyl)sulfonyl]amino}ethyl acrylate,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H10F13NO4S/c1-3-6(27)30-5-4-26(2)31(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h3H,1,4-5H2,2H3",C12H10F13NO4S,,,,,,HLKZFXXWGVPYAY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.656,266-741-9,67584-63-8,Ethyl N-ethyl-N-[(nonafluorobutyl)sulphonyl]glycinate,ethyl N-ethyl-N-[(nonafluorobutyl)sulfonyl]glycinate,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H12F9NO4S/c1-3-20(5-6(21)24-4-2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-5H2,1-2H3",C10H12F9NO4S,,,,,,FUWUVCJRFPBKEF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.191,261-829-3,59637-41-1,2-methyl-4-[(3-methyl-2-butenyl)oxy]but-1-ene,2-methyl-4-[(3-methylbut-2-en-1-yl)oxy]but-1-ene,CC(=C)CCOCC=C(C)C,CC(=C)CCOCC=C(C)C,"InChI=1/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h6H,1,5,7-8H2,2-4H3",C10H18O,,,,,,SBKPSGLYGQUMEX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.192,261-830-9,59639-91-7,Potassium 2-chloro-4-nitrobenzoate,potassium 2-chloro-4-nitrobenzoate,[K+].[O-]C(=O)c1ccc(cc1Cl)[N+](=O)[O-],[K+].[O-]C(=O)c1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C7H4ClNO4.K/c8-6-3-4(9(12)13)1-2-5(6)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1",C7H4ClNO4.K,,,,,,RFOMKRIDPCCWRA-UHFFFAOYSA-M,,,,,,,,,,,
100.056.196,261-835-6,59643-77-5,Calcium bis(2-iodylbenzoate),calcium bis(2-iodylbenzoate),[Ca+2].[O-]C(=O)c1ccccc1I(=O)=O.[O-]C(=O)c2ccccc2I(=O)=O,[Ca+2].[O-]C(=O)c1ccccc1I(=O)=O.[O-]C(=O)c2ccccc2I(=O)=O,"InChI=1/2C7H5IO4.Ca/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;/h2*1-4H,(H,9,10);/q;;+2/p-2",C7H5IO4.1/2Ca,,,,,,JSEPNPHNEPGHEA-UHFFFAOYSA-L,,,,,,,,,,,
100.060.952,267-067-8,67785-69-7,"[2-[bis[(3,7-dimethyl-2,6-octadienyl)oxy]methyl]-1-heptenyl]benzene","(2-{bis[(3,7-dimethylocta-2,6-dien-1-yl)oxy]methyl}hept-1-en-1-yl)benzene",C/C(C)=C\\CCC(C)=CCOC(OCC=C(C)CC\\C=C(/C)C)C(=Cc1ccccc1)CCCCC,C/C(C)=C\CCC(C)=CCOC(OCC=C(C)CC\C=C(/C)C)C(=Cc1ccccc1)CCCCC,"InChI=1/C34H52O2/c1-8-9-11-22-33(27-32-20-12-10-13-21-32)34(35-25-23-30(6)18-14-16-28(2)3)36-26-24-31(7)19-15-17-29(4)5/h10,12-13,16-17,20-21,23-24,27,34H,8-9,11,14-15,18-19,22,25-26H2,1-7H3",C34H52O2,,,,,,OAUIRXVDLGQWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.805,260-305-1,56639-51-1,Hydroxybis(myristato-O)aluminium,aluminum hydroxide ditetradecanoate,CCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCC,"InChI=1/2C14H28O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2*2-13H2,1H3,(H,15,16);;1H2/q;;+3;/p-3/rC28H55AlO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(30)33-29(32)34-28(31)26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-26H2,1-2H3",C28H55AlO5,,,,,,YNQRLDQNSBVJGU-UHFFFAOYSA-K,,,,,,,,,,,
100.054.811,260-311-4,56652-31-4,"5-oxo-L-proline, compound with (8a,9R)-6'-methoxycinchonan-9-ol (1:1)",5-oxo-L-proline - 6'-methoxycinchonan-9-ol (1:1),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)[C@@H]5CCC(=O)N5,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C20H24N2O2.C5H7NO3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-4-2-1-3(6-4)5(8)9/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H,1-2H2,(H,6,7)(H,8,9)",C20H24N2O2.C5H7NO3,,,,,,HYAFWGYUMDFMRG-FMOUBYBUSA-N,,,,,,,,,,,
100.054.816,260-317-7,56663-29-7,"Chromium tris(3,5,5-trimethylhexanoate)",-,[Cr+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,[Cr+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/3C9H18O2.Cr/c3*1-7(5-8(10)11)6-9(2,3)4;/h3*7H,5-6H2,1-4H3,(H,10,11);/q;;;+2/p-3",C9H18O2.1/3Cr,,,,,,VMJACEJKYITCFU-UHFFFAOYSA-K,,,,,,,,,,,
100.054.820,260-321-9,56665-79-3,"17-hydroxy-16ß-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)","ethyl 17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl carbonate",CCOC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC12C,CCOC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC12C,"InChI=1/C25H32O6/c1-5-30-22(28)31-14-21(27)25(29)15(2)12-20-18-7-6-16-13-17(26)8-10-23(16,3)19(18)9-11-24(20,25)4/h8-10,13,15,18,20,29H,5-7,11-12,14H2,1-4H3",C25H32O6,,,,,,DADGESXUBSRHSL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.821,260-322-4,56669-87-5,(2-hydroxyethyl)dimethylammonium lactate,"2-hydroxy-N,N-dimethylethanaminium 2-hydroxypropanoate",CC(O)C(=O)[O-].C[NH+](C)CCO,CC(O)C(=O)[O-].C[NH+](C)CCO,"InChI=1/C4H11NO.C3H6O3/c1-5(2)3-4-6;1-2(4)3(5)6/h6H,3-4H2,1-2H3;2,4H,1H3,(H,5,6)",C4H11NO.C3H6O3,,,,,,QFQMQSNDWYRIAG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.823,260-325-0,56670-24-7,6-amino-4-hydroxy-5-[[4-[[[4-[(4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]naphthalene-2-sulphonic acid,6-amino-4-hydroxy-5-{[4-({4-[(4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}naphthalene-2-sulfonic acid,Oc5ccc(N=Nc4ccc(NC(=O)c3ccc(N=Nc1c2c(O)cc(cc2ccc1N)S(O)(=O)=O)cc3)cc4)cc5,Oc5ccc(N=Nc4ccc(NC(=O)c3ccc(N=Nc1c2c(O)cc(cc2ccc1N)S(O)(=O)=O)cc3)cc4)cc5,"InChI=1/C29H22N6O6S/c30-25-14-3-18-15-24(42(39,40)41)16-26(37)27(18)28(25)35-34-20-4-1-17(2-5-20)29(38)31-19-6-8-21(9-7-19)32-33-22-10-12-23(36)13-11-22/h1-16,36-37H,30H2,(H,31,38)(H,39,40,41)",C29H22N6O6S,,,,,,OOVIVLRCIYZYTO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.826,260-328-7,56672-87-8,"1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitropyrimidine","1,3-bis(2-ethylhexyl)-5-methyl-5-nitrohexahydropyrimidine",CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(C1)[N+](=O)[O-],CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(C1)[N+](=O)[O-],"InChI=1/C21H43N3O2/c1-6-10-12-19(8-3)14-22-16-21(5,24(25)26)17-23(18-22)15-20(9-4)13-11-7-2/h19-20H,6-18H2,1-5H3",C21H43N3O2,,,,,,LGMAAKQUWQWLTL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.827,260-329-2,56676-71-2,N-phenylglycine hydrochloride,N-phenylglycine hydrochloride,Cl.OC(=O)CNc1ccccc1,Cl.OC(=O)CNc1ccccc1,"InChI=1/C8H9NO2.ClH/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);1H",C8H9NO2.ClH,,,,,,HIQIUINFXZKKEC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.828,260-330-8,56677-60-2,Tetradecyl chloroformate,tetradecyl chlorocarbonate,CCCCCCCCCCCCCCOC(=O)Cl,CCCCCCCCCCCCCCOC(=O)Cl,"InChI=1/C15H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17/h2-14H2,1H3",C15H29ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10404,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.828,KQHBSKZGPQPRIT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.831,260-333-4,56680-89-8,"3,5-dichloro-2-methoxyphenol","3,5-dichloro-2-methoxyphenol",COc1c(O)cc(Cl)cc1Cl,COc1c(O)cc(Cl)cc1Cl,"InChI=1/C7H6Cl2O2/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,10H,1H3",C7H6Cl2O2,,,,,,YFKQRZRAQLZDAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.840,260-343-9,56698-04-5,"2,6-dinitro-N-(2-nitrophenyl)aniline","2,6-dinitro-N-(2-nitrophenyl)aniline",[O-][N+](=O)c1ccccc1Nc2c(cccc2[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1ccccc1Nc2c(cccc2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H8N4O6/c17-14(18)9-5-2-1-4-8(9)13-12-10(15(19)20)6-3-7-11(12)16(21)22/h1-7,13H",C12H8N4O6,,,,,,VZKAEJHHEJIINU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.534,252-303-4,34965-30-5,Di-tert-pentyl disulphide,"2,2'-disulfanediylbis(2-methylbutane)",CCC(C)(C)SSC(C)(C)CC,CCC(C)(C)SSC(C)(C)CC,"InChI=1/C10H22S2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3",C10H22S2,,,,,,OGTZMPFMCIZSIB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.537,252-307-6,34985-37-0,(S)-2-methylbutylamine,2-methylbutan-1-amine,CC[C@H](C)CN,CC[C@H](C)CN,"InChI=1/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3",C5H13N,,,,,,VJROPLWGFCORRM-YFKPBYRVSA-N,,,,,,,,,,,
100.030.914,234-019-2,10493-44-4,"4-bromo-1,1,2-trifluorobut-1-ene","4-bromo-1,1,2-trifluorobut-1-ene",FC(=C(F)CCBr)F,FC(=C(F)CCBr)F,InChI=1/C4H4BrF3/c5-2-1-3(6)4(7)8/h1-2H2,C4H4BrF3,,,,,,GQCQMFYIFUDARF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.237,236-576-7,13438-45-4,Zinc di(toluene-4-sulphonate),zinc bis(4-methylbenzenesulfonate),[Zn+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],[Zn+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C7H8O3S.Zn/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",C7H8O3S.1/2Zn,,,,,,YISPIDBWTUCKKH-UHFFFAOYSA-L,,,,,,,,,,,
100.033.238,236-577-2,13439-98-0,"3-methyl-1,1-bis(2-methylpropoxy)butane","1,1-diisobutoxy-3-methylbutane",CC(C)COC(CC(C)C)OCC(C)C,CC(C)COC(CC(C)C)OCC(C)C,"InChI=1/C13H28O2/c1-10(2)7-13(14-8-11(3)4)15-9-12(5)6/h10-13H,7-9H2,1-6H3",C13H28O2,,,,,,XQJQKXSIFKNEPF-UHFFFAOYSA-N,,,,,,,,,,,
100.033.242,236-581-4,13442-90-5,1-(1-ethoxyethoxy)-3-methylbutane,1-(1-ethoxyethoxy)-3-methylbutane,CCOC(C)OCCC(C)C,CCOC(C)OCCC(C)C,"InChI=1/C9H20O2/c1-5-10-9(4)11-7-6-8(2)3/h8-9H,5-7H2,1-4H3",C9H20O2,,,,,,RGNYZOOSNYMRQE-UHFFFAOYSA-N,,,,,,,,,,,
100.033.245,236-585-6,13444-71-8,Periodic acid,periodic acid,OI(=O)(=O)=O,OI(=O)(=O)=O,"InChI=1/HIO4/c2-1(3,4)5/h(H,2,3,4,5)",HIO4,,,,,,KHIWWQKSHDUIBK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.755,238-247-3,14309-42-3,Pentyl 4-nitrobenzoate,pentyl 4-nitrobenzoate,CCCCCOC(=O)c1ccc(cc1)[N+](=O)[O-],CCCCCOC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C12H15NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h5-8H,2-4,9H2,1H3",C12H15NO4,,,,,,BFKGHSXQYBELBN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.761,238-254-1,14314-21-7,2-methyl-6-methyleneoct-7-en-4-ol,2-methyl-6-methyleneoct-7-en-4-ol,CC(C)CC(O)CC(=C)C=C,CC(C)CC(O)CC(=C)C=C,"InChI=1/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8,10-11H,1,4,6-7H2,2-3H3",C10H18O,,,,,,RHAXCOKCIAVHPB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.771,238-265-1,14321-27-8,N-ethylbenzylamine,N-benzylethanamine,CCNCc1ccccc1,CCNCc1ccccc1,"InChI=1/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3",C9H13N,,,,,,HVAAHUDGWQAAOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.776,238-270-9,14324-55-1,Zinc bis(diethyldithiocarbamate),zinc bis(diethyldithiocarbamate),[Zn+2].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-],[Zn+2].CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-],"InChI=1/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2",C10H20N2S4Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10823,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.776,RKQOSDAEEGPRER-UHFFFAOYSA-L,,,,,,,,,,,
100.034.779,238-274-0,14331-16-9,"N-heptadecylpropane-1,3-diamine","N-heptadecylpropane-1,3-diamine",CCCCCCCCCCCCCCCCCNCCCN,CCCCCCCCCCCCCCCCCNCCCN,"InChI=1/C20H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21/h22H,2-21H2,1H3",C20H44N2,,,,,,KSTBCRYHGOWRJG-UHFFFAOYSA-N,,,,,,,,,,,
100.034.781,238-276-1,14332-09-3,Phosphonous acid,phosphonous acid,OPO,OPO,InChI=1/H3O2P/c1-3-2/h1-3H,H3O2P,,,,,,XRBCRPZXSCBRTK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.943,260-456-3,56941-91-4,Methyl (E)-14-methylhexadec-8-enoate,methyl 14-methylhexadec-8-enoate,CCC(C)CCCC\\C=C\\CCCCCCC(=O)OC,CCC(C)CCCC\C=C\CCCCCCC(=O)OC,"InChI=1/C18H34O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h5,7,17H,4,6,8-16H2,1-3H3",C18H34O2,,,,,,KXKSZSXMFYJWFU-FNORWQNLSA-N,,,,,,,,,,,
100.054.945,260-458-4,56943-67-0,Chloro-7H-benz[de]anthracen-7-one,1-chloro-7H-benzo[de]anthracen-7-one,Clc1ccc2cccc3C(=O)c4ccccc4c1c23,Clc1ccc2cccc3C(=O)c4ccccc4c1c23,InChI=1/C17H9ClO/c18-14-9-8-10-4-3-7-13-15(10)16(14)11-5-1-2-6-12(11)17(13)19/h1-9H,C17H9ClO,,,,,,VNGNBWWYQKKDQT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.949,260-463-1,56955-78-3,(dodecyl)ethyldimethylammonium p-(hexyloxy)benzoate,"N-ethyl-N,N-dimethyldodecan-1-aminium 4-(hexyloxy)benzoate",CCCCCCCCCCCC[N+](C)(C)CC.CCCCCCOc1ccc(cc1)C(=O)[O-],CCCCCCCCCCCC[N+](C)(C)CC.CCCCCCOc1ccc(cc1)C(=O)[O-],"InChI=1/C16H36N.C13H18O3/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h5-16H2,1-4H3;6-9H,2-5,10H2,1H3,(H,14,15)/q+1;/p-1",C16H36N.C13H17O3,,,,,,RBBNOVKRLWDEGC-UHFFFAOYSA-M,,,,,,,,,,,
100.054.950,260-464-7,56956-13-9,(Z)-pent-2-enyloxirane,2-pent-2-en-1-yloxirane,CC\\C=C/CC1CO1,CC\C=C/CC1CO1,"InChI=1/C7H12O/c1-2-3-4-5-7-6-8-7/h3-4,7H,2,5-6H2,1H3",C7H12O,,,,,,PAMAYFDIVUSTFP-ARJAWSKDSA-N,,,,,,,,,,,
100.054.954,260-468-9,56961-25-2,"4-amino-3,5-dichlorobenzoic acid","4-amino-3,5-dichlorobenzoic acid",Nc1c(Cl)cc(cc1Cl)C(=O)O,Nc1c(Cl)cc(cc1Cl)C(=O)O,"InChI=1/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)",C7H5Cl2NO2,,,,,,UHXYYTSWBYTDPD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.955,260-469-4,56961-47-8,1-chloro-2-(chlorophenylmethyl)benzene,1-chloro-2-[chloro(phenyl)methyl]benzene,ClC(c1ccccc1)c2ccccc2Cl,ClC(c1ccccc1)c2ccccc2Cl,"InChI=1/C13H10Cl2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13H",C13H10Cl2,,,,,,YMXAYMSJCVGYEM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.785,262-484-1,60864-44-0,"6ß-fluoro-16a,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate","6-fluoro-16,17-dihydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C,CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C,"InChI=1/C23H27FO6/c1-12(25)30-11-20(28)23(29)19(27)10-16-14-9-18(24)17-8-13(26)4-6-21(17,2)15(14)5-7-22(16,23)3/h4-6,8,14,16,18-19,27,29H,7,9-11H2,1-3H3",C23H27FO6,,,,,,YGJGUDWTWGIYMD-AKSOXMLASA-N,,,,,,,,,,,
100.056.790,262-489-9,60864-49-5,"6ß,9-difluoro-11ß,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,21-di(acetate)","6,9-difluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate",CC(=O)OCC(=O)[C@@]1(O)[C@@H](C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(=O)C,"InChI=1/C25H30F2O8/c1-12(28)34-11-20(32)25(33)21(35-13(2)29)9-15-16-8-18(26)17-7-14(30)5-6-22(17,3)24(16,27)19(31)10-23(15,25)4/h5-7,15-16,18-19,21,31,33H,8-11H2,1-4H3",C25H30F2O8,,,,,,ONPLIUSGZHICBI-CJQFUTCOSA-N,,,,,,,,,,,
100.056.791,262-490-4,60864-52-0,"6ß-fluoro-21-hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate","6-fluoro-3,20-dioxopregna-1,4,9(11),16-tetraen-21-yl acetate",CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C,"InChI=1/C23H25FO4/c1-13(25)28-12-21(27)18-5-4-16-15-11-20(24)19-10-14(26)6-8-23(19,3)17(15)7-9-22(16,18)2/h5-8,10,15-16,20H,4,9,11-12H2,1-3H3",C23H25FO4,,,,,,UHEBHFQTEYMJQV-DUYGSNODSA-N,,,,,,,,,,,
100.046.520,251-188-8,32741-89-2,5-(tert-butyl)hexahydro-2H-azepin-2-one,5-tert-butylazepan-2-one,CC(C)(C)C1CCNC(=O)CC1,CC(C)(C)C1CCNC(=O)CC1,"InChI=1/C10H19NO/c1-10(2,3)8-4-5-9(12)11-7-6-8/h8H,4-7H2,1-3H3,(H,11,12)",C10H19NO,,,,,,UUFLMKKCFXJHER-UHFFFAOYSA-N,,,,,,,,,,,
100.046.521,251-189-3,32741-92-7,"Trimethyl [1,1'-biphenyl]-2,4',5-tricarboxylate","trimethyl biphenyl-2,4',5-tricarboxylate",COC(=O)c1ccc(cc1)c2cc(ccc2C(=O)OC)C(=O)OC,COC(=O)c1ccc(cc1)c2cc(ccc2C(=O)OC)C(=O)OC,"InChI=1/C18H16O6/c1-22-16(19)12-6-4-11(5-7-12)15-10-13(17(20)23-2)8-9-14(15)18(21)24-3/h4-10H,1-3H3",C18H16O6,,,,,,ZLRSGCDCVGSPKI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.524,251-193-5,32749-94-3,"2,3-dimethylvaleraldehyde","2,3-dimethylpentanal",CCC(C)C(C)C=O,CCC(C)C(C)C=O,"InChI=1/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3",C7H14O,,,,,,BOHKXQAJUVXBDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.526,251-195-6,32750-68-8,3-hydroxy-2-(hydroxymethyl)-2-methylpropyl palmitate,3-hydroxy-2-(hydroxymethyl)-2-methylpropyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO,CCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO,"InChI=1/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)25-19-21(2,17-22)18-23/h22-23H,3-19H2,1-2H3",C21H42O4,,,,,,RZCXLAVLGNSKPI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.528,251-197-7,32752-54-8,4-(bromomethyl)benzophenone,[4-(bromomethyl)phenyl](phenyl)methanone,BrCc1ccc(cc1)C(=O)c2ccccc2,BrCc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C14H11BrO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10H2",C14H11BrO,,,,,,RYULULVJWLRDQH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.529,251-198-2,32753-14-3,"2-[(1-oxobutoxy)methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate","3-(butyryloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)",CCCCCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCCCCC)COC(=O)CCCCCC,CCCCCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCCCCC)COC(=O)CCCCCC,"InChI=1/C30H54O8/c1-5-9-12-15-19-27(32)36-23-30(22-35-26(31)18-8-4,24-37-28(33)20-16-13-10-6-2)25-38-29(34)21-17-14-11-7-3/h5-25H2,1-4H3",C30H54O8,,,,,,DHTLVXVGJKYARR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.531,251-200-1,32762-51-9,Bromophenol,2-bromophenol,Oc1ccccc1Br,Oc1ccccc1Br,"InChI=1/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",C6H5BrO,,,,,,VADKRMSMGWJZCF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.532,251-201-7,32764-98-0,Tetrahydro-6-(3-pentenyl)-2H-pyran-2-one,6-pent-3-en-1-yltetrahydro-2H-pyran-2-one,O=C1CCCC(CCC=CC)O1,O=C1CCCC(CCC=CC)O1,"InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3",C10H16O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11967,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.532,NBCMACYORPIYNY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.533,251-202-2,32768-20-0,Sodium 3-methylsalicylate,sodium 2-hydroxy-3-methylbenzoate,[Na+].Cc1cccc(C(=O)[O-])c1O,[Na+].Cc1cccc(C(=O)[O-])c1O,"InChI=1/C8H8O3.Na/c1-5-3-2-4-6(7(5)9)8(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1",C8H8O3.Na,,,,,,ODAXNLPYGWAGTH-UHFFFAOYSA-M,,,,,,,,,,,
100.046.540,251-210-6,32779-69-4,"7-hydroxy-3,7-dimethylnonan-1-al","7-hydroxy-3,7-dimethylnonanal",CCC(C)(O)CCCC(C)CC=O,CCC(C)(O)CCCC(C)CC=O,"InChI=1/C11H22O2/c1-4-11(3,13)8-5-6-10(2)7-9-12/h9-10,13H,4-8H2,1-3H3",C11H22O2,,,,,,NGLHIEHGYBVVRF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.541,251-211-1,32780-64-6,5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]salicylamide monohydrochloride,2-hydroxy-5-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl}benzamide hydrochloride,Cl.CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N,Cl.CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N,"InChI=1/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H",C19H24N2O3.ClH,,,,,,WQVZLXWQESQGIF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.197,261-836-1,59643-84-4,o-propoxybenzamide,2-propoxybenzamide,CCCOc1ccccc1C(=O)N,CCCOc1ccccc1C(=O)N,"InChI=1/C10H13NO2/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)",C10H13NO2,,,,,,FAVIQMSTEFBUJX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.202,261-841-9,59652-06-1,3-ethyl-2-[3-(1-ethyl-1H-pyridin-2-ylidene)prop-1-enyl]benzothiazolium iodide,"3-ethyl-2-[3-(1-ethylpyridin-2(1H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].CCN3/C=C\\C=C/C3=CC=Cc2sc1ccccc1[n+]2CC,[I-].CCN3/C=C\C=C/C3=CC=Cc2sc1ccccc1[n+]2CC,"InChI=1/C19H21N2S.HI/c1-3-20-15-8-7-10-16(20)11-9-14-19-21(4-2)17-12-5-6-13-18(17)22-19;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C19H21N2S.I,,,,,,PDTTYWVXGSRCOG-UHFFFAOYSA-M,,,,,,,,,,,
100.056.209,261-849-2,59672-05-8,Bornyl isovalerate,"1,3,3-trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate",CC(C)CC(=O)OC1C(C)(C)C2CCC1(C)C2,CC(C)CC(=O)OC1C(C)(C)C2CCC1(C)C2,"InChI=1/C15H26O2/c1-10(2)8-12(16)17-13-14(3,4)11-6-7-15(13,5)9-11/h10-11,13H,6-9H2,1-5H3",C15H26O2,,,,,,UWEYUMKZEVARAF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.212,261-852-9,59673-74-4,"6-amino-1,2-dihydro-3H-indazol-3-one","6-amino-1,2-dihydro-3H-indazol-3-one",Nc1ccc2C(=O)NNc2c1,Nc1ccc2C(=O)NNc2c1,"InChI=1/C7H7N3O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,8H2,(H2,9,10,11)",C7H7N3O,,,,,,RVEOZWSYDIHKIB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.216,261-857-6,59686-69-0,Diisohexadecyl adipate,bis(14-methylpentadecyl) adipate,CC(C)CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC(C)C,"InChI=1/C38H74O4/c1-35(2)29-23-19-15-11-7-5-9-13-17-21-27-33-41-37(39)31-25-26-32-38(40)42-34-28-22-18-14-10-6-8-12-16-20-24-30-36(3)4/h35-36H,5-34H2,1-4H3",C38H74O4,,,,,,BHGAOGZUKUXCDC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.605,263-385-6,62037-81-4,2-(1H-imidazol-1-yl)ethyl methacrylate,2-(1H-imidazol-1-yl)ethyl methacrylate,CC(=C)C(=O)OCCn1ccnc1,CC(=C)C(=O)OCCn1ccnc1,"InChI=1/C9H12N2O2/c1-8(2)9(12)13-6-5-11-4-3-10-7-11/h3-4,7H,1,5-6H2,2H3",C9H12N2O2,,,,,,KXVAYZZWCKNUMN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.612,263-392-4,62056-46-6,1-tert-butyl-4-chlorocyclohexane,1-tert-butyl-4-chlorocyclohexane,CC(C)(C)C1CCC(Cl)CC1,CC(C)(C)C1CCC(Cl)CC1,"InChI=1/C10H19Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7H2,1-3H3",C10H19Cl,,,,,,UFKRVFDHUZGOKG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.618,263-399-2,62084-02-0,"4,5-dihydro-1-(4-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid","1-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1)c2ccc(cc2)[N+](=O)[O-],OC(=O)C1=NN(C(=O)C1)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C10H7N3O5/c14-9-5-8(10(15)16)11-12(9)6-1-3-7(4-2-6)13(17)18/h1-4H,5H2,(H,15,16)",C10H7N3O5,,,,,,VIISNFKYOKHEAI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.623,263-404-8,62103-12-2,"Hexadeca-7,11-diynyl acetate","hexadeca-7,11-diyn-1-yl acetate",CCCCC#CCCC#CCCCCCCOC(=O)C,CCCCC#CCCC#CCCCCCCOC(=O)C,"InChI=1/C18H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-5,8-9,12-17H2,1-2H3",C18H28O2,,,,,,OJBBVRWULKDROR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.268,265-215-6,64750-16-9,"2-tridecyl-2-oxazoline-4,4-dimethanol","(2-tridecyl-4,5-dihydro-1,3-oxazole-4,4-diyl)dimethanol",CCCCCCCCCCCCCC1=NC(CO)(CO)CO1,CCCCCCCCCCCCCC1=NC(CO)(CO)CO1,"InChI=1/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-19-18(14-20,15-21)16-22-17/h20-21H,2-16H2,1H3",C18H35NO3,,,,,,NUADXXZZTZBHBO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.771,265-767-8,65416-29-7,"Sodium 1-hydroxy-3,7-dimethyloct-6-ene-1-sulphonate","sodium 1-hydroxy-3,7-dimethyloct-6-ene-1-sulfonate",[Na+].CC(CCC=C(C)C)CC(O)S(=O)(=O)[O-],[Na+].CC(CCC=C(C)C)CC(O)S(=O)(=O)[O-],"InChI=1/C10H20O4S.Na/c1-8(2)5-4-6-9(3)7-10(11)15(12,13)14;/h5,9-11H,4,6-7H2,1-3H3,(H,12,13,14);/q;+1/p-1",C10H20O4S.Na,,,,,,AOTGIENKPBLGMC-UHFFFAOYSA-M,,,,,,,,,,,
100.059.778,265-775-1,65433-96-7,Quinoline-7-sulphonic acid,quinoline-7-sulfonic acid,OS(=O)(=O)c1ccc2cccnc2c1,OS(=O)(=O)c1ccc2cccnc2c1,"InChI=1/C9H7NO3S/c11-14(12,13)8-4-3-7-2-1-5-10-9(7)6-8/h1-6H,(H,11,12,13)",C9H7NO3S,,,,,,FBNVOSBSLQPUBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.781,265-778-8,65443-02-9,"Methacrylic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","2-methylacrylic acid - 2,2',2''-nitrilotriethanol (1:1)",CC(=C)C(=O)O.OCCN(CCO)CCO,CC(=C)C(=O)O.OCCN(CCO)CCO,"InChI=1/C6H15NO3.C4H6O2/c8-4-1-7(2-5-9)3-6-10;1-3(2)4(5)6/h8-10H,1-6H2;1H2,2H3,(H,5,6)",C6H15NO3.C4H6O2,,,,,,WZXYIWMZCIFNRB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.790,265-788-2,65466-10-6,(Z)-pent-2-en-1-yl benzoate,pent-2-en-1-yl benzoate,CC\\C=C/COC(=O)c1ccccc1,CC\C=C/COC(=O)c1ccccc1,"InChI=1/C12H14O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h3-9H,2,10H2,1H3",C12H14O2,,,,,,CSDCIXOZTUVBQA-CLTKARDFSA-N,,,,,,,,,,,
100.059.792,265-790-3,65481-69-8,Endo-bicyclo[2.2.1]heptan-2-amine hydrochloride,bicyclo[2.2.1]heptan-2-amine hydrochloride,Cl.N[C@@H]1C[C@@H]2CC[C@H]1C2,Cl.N[C@@H]1C[C@@H]2CC[C@H]1C2,"InChI=1/C7H13N.ClH/c8-7-4-5-1-2-6(7)3-5;/h5-7H,1-4,8H2;1H",C7H13N.ClH,,,,,,IZZMPZQAQTXAHW-FNCXLRSCSA-N,,,,,,,,,,,
100.059.794,265-792-4,65502-61-6,"4,4,5-trimethylhexan-1-ol","4,4,5-trimethylhexan-1-ol",CC(C)C(C)(C)CCCO,CC(C)C(C)(C)CCCO,"InChI=1/C9H20O/c1-8(2)9(3,4)6-5-7-10/h8,10H,5-7H2,1-4H3",C9H20O,,,,,,ZYXQELDKUPEKLK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.542,252-312-3,34995-77-2,"Tetrahydro-a,a,5-trimethyl-5-vinylfuran-2-methanol",2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol,CC(C)(O)C1CCC(C)(O1)C=C,CC(C)(O)C1CCC(C)(O1)C=C,"InChI=1/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3",C10H18O2,,,,,,BRHDDEIRQPDPMG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.546,252-317-0,35013-90-2,4-[cyano(hydroxyimino)methyl]-1-methylpyridinium iodide,4-[cyano(hydroxyimino)methyl]-1-methylpyridinium iodide,[I-].ON=C(C#N)c1cc[n+](C)cc1,[I-].ON=C(C#N)c1cc[n+](C)cc1,"InChI=1/C8H7N3O.HI/c1-11-4-2-7(3-5-11)8(6-9)10-12;/h2-5H,1H3;1H",C8H8N3O.I,,,,,,GJLIKEXLHKULBP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.556,252-328-0,35037-73-1,p-(trifluoromethoxy)phenyl isocyanate,1-isocyanato-4-(trifluoromethoxy)benzene,FC(F)(F)Oc1ccc(cc1)N=C=O,FC(F)(F)Oc1ccc(cc1)N=C=O,"InChI=1/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H",C8H4F3NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5560,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.556,LGPKFIGMLPDYEA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.558,252-330-1,35038-81-4,Sodium hydrogen (4-methylsulphonatophenoxy)acetate,hydrogen sodium (4-methyl-2-sulfonatophenoxy)acetate,[Na+].Cc1ccc(OCC(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].Cc1ccc(OCC(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C9H10O6S.Na/c1-6-2-3-7(15-5-9(10)11)8(4-6)16(12,13)14;/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14);/q;+1/p-2",C9H10O6S.Na,,,,,,RJTAXJXQJCDFOY-UHFFFAOYSA-L,,,,,,,,,,,
100.047.559,252-331-7,35040-03-0,"Sodium 2-(1-methylpropyl)-4,6-dinitrophenolate","sodium 2-sec-butyl-4,6-dinitrophenolate",[Na+].CCC(C)c1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-],[Na+].CCC(C)c1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5.Na/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;/h4-6,13H,3H2,1-2H3;/q;+1/p-1",C10H12N2O5.Na,,,,,,LRWSMDCIWRLZIX-UHFFFAOYSA-M,,,,,,,,,,,
100.047.562,252-334-3,35044-58-7,"Ethyl 6,6-dimethyl-2-methylenecyclohex-3-enecarboxylate","ethyl 6,6-dimethyl-2-methylenecyclohex-3-ene-1-carboxylate",CCOC(=O)C1C(=C)C=CCC1(C)C,CCOC(=O)C1C(=C)C=CCC1(C)C,"InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7,10H,2,5,8H2,1,3-4H3",C12H18O2,,,,,,DOVGPJULTGXWJT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.571,252-344-8,35073-82-6,Dimethyl chlorooxosuccinate,dimethyl 2-chloro-3-oxosuccinate,COC(=O)C(Cl)C(=O)C(=O)OC,COC(=O)C(Cl)C(=O)C(=O)OC,"InChI=1/C6H7ClO5/c1-11-5(9)3(7)4(8)6(10)12-2/h3H,1-2H3",C6H7ClO5,,,,,,HQOMJNUPLXPBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.572,252-345-3,35074-30-7,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(NCC(O)COC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(NCC(O)COC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C19H21BrN6O8/c1-10(27)22-14-6-16(21-8-12(28)9-33-2)18(34-3)7-15(14)23-24-19-13(20)4-11(25(29)30)5-17(19)26(31)32/h4-7,12,21,28H,8-9H2,1-3H3,(H,22,27)",C19H21BrN6O8,,,,,,CNSSFLHYPQHHJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.573,252-346-9,35074-77-2,"Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]","hexane-1,6-diyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]",CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)OCCCCCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C,CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)OCCCCCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C,"InChI=1/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3",C40H62O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16505,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.573,ZVVFVKJZNVSANF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.576,252-350-0,35079-64-2,4-[(4-aminophenyl)butylamino]butane-1-sulphonic acid,4-[(4-aminophenyl)(butyl)amino]butane-1-sulfonic acid,CCCCN(CCCCS(=O)(=O)O)c1ccc(N)cc1,CCCCN(CCCCS(=O)(=O)O)c1ccc(N)cc1,"InChI=1/C14H24N2O3S/c1-2-3-10-16(11-4-5-12-20(17,18)19)14-8-6-13(15)7-9-14/h6-9H,2-5,10-12,15H2,1H3,(H,17,18,19)",C14H24N2O3S,,,,,,CSGNEKGWOJHKOI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.041,266-065-4,66009-41-4,Octadecyl heptanoate,octadecyl heptanoate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC,"InChI=1/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h3-24H2,1-2H3",C25H50O2,,,,,,ABTZKZVAJTXGNN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.043,266-068-0,66016-77-1,"2-chloro-a-phenyl[1,1'-biphenyl]-4-methanol",(2-chlorobiphenyl-4-yl)(phenyl)methanol,OC(c1ccccc1)c2ccc(c(Cl)c2)c3ccccc3,OC(c1ccccc1)c2ccc(c(Cl)c2)c3ccccc3,"InChI=1/C19H15ClO/c20-18-13-16(19(21)15-9-5-2-6-10-15)11-12-17(18)14-7-3-1-4-8-14/h1-13,19,21H",C19H15ClO,,,,,,ZOAVSVRUXVCCES-UHFFFAOYSA-N,,,,,,,,,,,
100.060.047,266-072-2,66027-93-8,Indium(3+) trisulphamate,indium trisulfamate,[In+3].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[In+3].NS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/In.3H3NO3S/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-3",H3NO3S.1/3In,,,,,,JLTNRNCLWWCRST-UHFFFAOYSA-K,,,,,,,,,,,
100.060.050,266-075-9,66027-98-3,Bis(2-methylpropyl)-o-cresol,"3,4-diisobutyl-2-methylphenol",CC(C)Cc1ccc(O)c(C)c1CC(C)C,CC(C)Cc1ccc(O)c(C)c1CC(C)C,"InChI=1/C15H24O/c1-10(2)8-13-6-7-15(16)12(5)14(13)9-11(3)4/h6-7,10-11,16H,8-9H2,1-5H3",C15H24O,,,,,,QOUMHLWGOBMLJH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.053,266-079-0,66028-01-1,1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-octylbenzene,1-{2-[2-(2-chloroethoxy)ethoxy]ethoxy}-4-octylbenzene,CCCCCCCCc1ccc(OCCOCCOCCCl)cc1,CCCCCCCCc1ccc(OCCOCCOCCCl)cc1,"InChI=1/C20H33ClO3/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)24-18-17-23-16-15-22-14-13-21/h9-12H,2-8,13-18H2,1H3",C20H33ClO3,,,,,,FKZRSAZGVZJHSV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.956,260-471-5,56961-50-3,"3-[(5,8-dichloro-1-hydroxy-2-naphthyl)azo]-4-hydroxybenzenesulphonamide","3-[(5,8-dichloro-1-hydroxy-2-naphthyl)diazenyl]-4-hydroxybenzenesulfonamide",NS(=O)(=O)c3cc(N=Nc1ccc2c(Cl)ccc(Cl)c2c1O)c(O)cc3,NS(=O)(=O)c3cc(N=Nc1ccc2c(Cl)ccc(Cl)c2c1O)c(O)cc3,"InChI=1/C16H11Cl2N3O4S/c17-10-3-4-11(18)15-9(10)2-5-12(16(15)23)20-21-13-7-8(26(19,24)25)1-6-14(13)22/h1-7,22-23H,(H2,19,24,25)",C16H11Cl2N3O4S,,,,,,YUFGHCYMOGJWDF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.957,260-472-0,56961-56-9,"5-chloro-2,4-dinitrobenzenesulphonic acid","5-chloro-2,4-dinitrobenzenesulfonic acid",OS(=O)(=O)c1cc(Cl)c(cc1[N+](=O)[O-])[N+](=O)[O-],OS(=O)(=O)c1cc(Cl)c(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3ClN2O7S/c7-3-1-6(17(14,15)16)5(9(12)13)2-4(3)8(10)11/h1-2H,(H,14,15,16)",C6H3ClN2O7S,,,,,,CMKHZJCLDSYCNP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.958,260-473-6,56961-69-4,Bis(N-phenylanilinium) sulphate,bis(N-phenylanilinium) sulfate,[O-]S(=O)(=O)[O-].[NH2+](c1ccccc1)c2ccccc2.[NH2+](c3ccccc3)c4ccccc4,[O-]S(=O)(=O)[O-].[NH2+](c1ccccc1)c2ccccc2.[NH2+](c3ccccc3)c4ccccc4,"InChI=1/2C12H11N.H2O4S/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h2*1-10,13H;(H2,1,2,3,4)",C12H11N.1/2H2O4S,,,,,,VOIZJISIVBVMEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.967,260-483-0,56968-08-2,Sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate,sodium [(2-hydroxy-5-nonylbenzyl)(methyl)amino]acetate,CCCCCCCCCc1ccc(O)c(CN(C)CC(=O)O[Na])c1,CCCCCCCCCc1ccc(O)c(CN(C)CC(=O)O[Na])c1,"InChI=1/C19H31NO3.Na/c1-3-4-5-6-7-8-9-10-16-11-12-18(21)17(13-16)14-20(2)15-19(22)23;/h11-13,21H,3-10,14-15H2,1-2H3,(H,22,23);/q;+1/p-1",C19H31NO3.Na,,,,,,XKGBTJJNMMJRDL-UHFFFAOYSA-M,,,,,,,,,,,
100.054.977,260-494-0,56975-07-6,"Tetrahydro-5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazine-2(1H)-thione","5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazinane-2-thione",OCCN1CN(CO)C(=S)N(CO)C1,OCCN1CN(CO)C(=S)N(CO)C1,"InChI=1/C7H15N3O3S/c11-2-1-8-3-9(5-12)7(14)10(4-8)6-13/h11-13H,1-6H2",C7H15N3O3S,,,,,,ZGUKXHGPXOTTSU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.982,260-499-8,56983-10-9,6-nitro-2-phenylquinolin-4-ol,6-nitro-2-phenylquinolin-4-ol,Oc1cc(nc2ccc(cc12)[N+](=O)[O-])c3ccccc3,Oc1cc(nc2ccc(cc12)[N+](=O)[O-])c3ccccc3,"InChI=1/C15H10N2O3/c18-15-9-14(10-4-2-1-3-5-10)16-13-7-6-11(17(19)20)8-12(13)15/h1-9H,(H,16,18)",C15H10N2O3,,,,,,KFCTXLVNHOGMHX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.985,260-502-2,56991-23-2,1-vinyloctyl acetate,1-vinyloctyl acetate,CCCCCCCC(OC(=O)C)C=C,CCCCCCCC(OC(=O)C)C=C,"InChI=1/C12H22O2/c1-4-6-7-8-9-10-12(5-2)14-11(3)13/h5,12H,2,4,6-10H2,1,3H3",C12H22O2,,,,,,WZHRMNRJRZTTCG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.990,260-508-5,57006-76-5,2-[(3-iodopropin-2-yl)oxy]ethanol,2-[(3-iodoprop-2-yn-1-yl)oxy]ethanol,OCCOCC#CI,OCCOCC#CI,"InChI=1/C5H7IO2/c6-2-1-4-8-5-3-7/h7H,3-5H2",C5H7IO2,,,,,,OOTSVQHUKFSBSM-UHFFFAOYSA-N,,,,,,,,,,,
100.038.142,241-972-8,18063-03-1,"2,6-difluorobenzamide","2,6-difluorobenzamide",NC(=O)c1c(F)cccc1F,NC(=O)c1c(F)cccc1F,"InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)",C7H5F2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5759,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.142,AVRQBXVUUXHRMY-UHFFFAOYSA-N,,,,,,,,,,,
100.038.143,241-973-3,18066-04-1,Ethyl N-salicyloylanthranilate,ethyl 2-[(2-hydroxybenzoyl)amino]benzoate,CCOC(=O)c1ccccc1NC(=O)c2ccccc2O,CCOC(=O)c1ccccc1NC(=O)c2ccccc2O,"InChI=1/C16H15NO4/c1-2-21-16(20)11-7-3-5-9-13(11)17-15(19)12-8-4-6-10-14(12)18/h3-10,18H,2H2,1H3,(H,17,19)",C16H15NO4,,,,,,IFSMESGPJPDOED-UHFFFAOYSA-N,,,,,,,,,,,
100.038.154,241-985-9,18077-31-1,"3-(3-chloropropyl)-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxane","3-(3-chloropropyl)-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxane",C[Si](C)(C)O[Si](CCCCl)(O[Si](C)(C)C)O[Si](C)(C)C,C[Si](C)(C)O[Si](CCCCl)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C12H33ClO3Si4/c1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9/h10-12H2,1-9H3",C12H33ClO3Si4,,,,,,MMWCHSBIWFYBBL-UHFFFAOYSA-N,,,,,,,,,,,
100.038.162,241-994-8,18089-65-1,Potassium dihydrogen methylsilanetriolate,dihydrogen potassium methylsilanetriolate,[K+].C[Si]([O-])([O-])[O-],[K+].C[Si]([O-])([O-])[O-],"InChI=1/CH3O3Si.K/c1-5(2,3)4;/h1H3;/q-3;+1",CH6O3Si.K,,,,,,XCLUQDHQSDOHLA-UHFFFAOYSA-N,,,,,,,,,,,
100.038.166,241-999-5,18097-52-4,2-amino-5-chlorobenzophenone oxime,(2-amino-5-chlorophenyl)(phenyl)methanone oxime,Nc1ccc(Cl)cc1C(=NO)c2ccccc2,Nc1ccc(Cl)cc1C(=NO)c2ccccc2,"InChI=1/C13H11ClN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2",C13H11ClN2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18222,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.166,GCAVNCINXJNLED-UHFFFAOYSA-N,,,,,,,,,,,
100.038.168,242-001-0,18103-42-9,"5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-benzopyrone","5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one",COc1cc(cc(OC)c1OC)C2=CC(=O)c3c(O)cc(O)cc3O2,COc1cc(cc(OC)c1OC)C2=CC(=O)c3c(O)cc(O)cc3O2,"InChI=1/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3",C18H16O7,,,,,,CPCPHNWWTJLXKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.172,242-005-2,18109-80-3,Butamirate,2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate,CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1,CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1,"InChI=1/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3",C18H29NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8169,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.172,DDVUMDPCZWBYRA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.551,251-222-1,32793-93-4,"Methyl (2E,5E)-hepta-2,5-dienoate","methyl hepta-2,5-dienoate",COC(=O)\\C=C\\C\\C=C\\C,COC(=O)\C=C\C\C=C\C,"InChI=1/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-4,6-7H,5H2,1-2H3",C8H12O2,,,,,,AEKZTVSCWKESCZ-FZWLCVONSA-N,,,,,,,,,,,
100.046.561,251-233-1,32809-16-8,"3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione","3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione",CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3,CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3,"InChI=1/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3",C13H11Cl2NO2,,,,,,QXJKBPAVAHBARF-UHFFFAOYSA-N,Positive/Negative,SM848503;EQ310201|EQ310202|EQ310203|EQ310204|EQ310205|EQ310206,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,284.0242:256.0291:67.0544;284.0239:256.029:113.0597|256.0291:284.0239:95.0491|256.029:95.0491:67.0542|67.0542:95.0491:185.9872|67.0542:238.0185:185.9872|67.0542:238.0185:172.9668,CASMI_2016;Eawag,SM848553,[M-H]-,HCD35,282.0093:254.0148:159.9725,CASMI_2016
100.046.562,251-234-7,32809-81-7,Ethyl 4-chloro-3-ethoxy-2-butenoate,ethyl 4-chloro-3-ethoxybut-2-enoate,O=C(C=C(CCl)OCC)OCC,O=C(C=C(CCl)OCC)OCC,"InChI=1/C8H13ClO3/c1-3-11-7(6-9)5-8(10)12-4-2/h5H,3-4,6H2,1-2H3",C8H13ClO3,,,,,,ZKGUZFGSTHDYQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.563,251-235-2,32810-58-5,Sodium dipentyldithiocarbamate,sodium dipentyldithiocarbamate,[Na+].CCCCCN(CCCCC)C(=S)[S-],[Na+].CCCCCN(CCCCC)C(=S)[S-],"InChI=1/C11H23NS2.Na/c1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h3-10H2,1-2H3,(H,13,14);/q;+1/p-1",C11H23NS2.Na,,,,,,DWVJEMMXXKPJTE-UHFFFAOYSA-M,,,,,,,,,,,
100.052.501,257-769-2,52236-80-3,"Ethyl [4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenoxy]acetate","ethyl {4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]phenoxy}acetate",CCOC(=O)COc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,CCOC(=O)COc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C24H19NO7/c1-2-30-19(27)12-31-13-7-9-14(10-8-13)32-18-11-17(26)20-21(22(18)25)24(29)16-6-4-3-5-15(16)23(20)28/h3-11,26H,2,12,25H2,1H3",C24H19NO7,,,,,,JYNOZFVFSQTKFP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.503,257-771-3,52237-03-3,"Dipotassium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate","dipotassium 2,2'-ethene-1,2-diylbis[5-(4-phenyl-2H-1,2,3-triazol-2-yl)benzenesulfonate]",[K+].[K+].[O-]S(=O)(=O)c1cc(ccc1\\C=C\\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6,[K+].[K+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6,"InChI=1/C30H22N6O6S2.2K/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;;/h1-20H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H22N6O6S2.2K,,,,,,FMHDAIDWNXHASR-YHPRVSEPSA-L,,,,,,,,,,,
100.052.509,257-778-1,52239-00-6,"4,4'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis(iminoethylene)]bis(benzenesulphonamide)","4,4'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis(iminoethane-2,1-diyl)]dibenzenesulfonamide",NS(=O)(=O)c1ccc(CCNc2ccc(NCCc3ccc(cc3)S(=O)(=O)N)c4C(=O)c5ccccc5C(=O)c24)cc1,NS(=O)(=O)c1ccc(CCNc2ccc(NCCc3ccc(cc3)S(=O)(=O)N)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C30H28N4O6S2/c31-41(37,38)21-9-5-19(6-10-21)15-17-33-25-13-14-26(34-18-16-20-7-11-22(12-8-20)42(32,39)40)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-14,33-34H,15-18H2,(H2,31,37,38)(H2,32,39,40)",C30H28N4O6S2,,,,,,VZYINEVRCMIOTE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.517,257-787-0,52250-41-6,Glycerol propyl ether,"propane-1,2,3-triol - 1,1'-oxydipropane (1:1)",CCCOCCC.OCC(O)CO,CCCOCCC.OCC(O)CO,"InChI=1/C6H14O.C3H8O3/c1-3-5-7-6-4-2;4-1-3(6)2-5/h3-6H2,1-2H3;3-6H,1-2H2",C6H14O3,,,,,,OSXYYFMTMFYLEX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.518,257-788-6,52251-71-5,2-ethylanthracene,2-ethylanthracene,CCc1ccc2cc3ccccc3cc2c1,CCc1ccc2cc3ccccc3cc2c1,"InChI=1/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3",C16H14,,,,,,ZXAGXLDEMUNQSH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.524,257-794-9,52258-47-6,Calcium di(octacosanoate),calcium dioctacosanoate,[Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C28H56O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;/h2*2-27H2,1H3,(H,29,30);/q;;+2/p-2",C28H56O2.1/2Ca,,,,,,FIASKJZPIYCESA-UHFFFAOYSA-L,,,,,,,,,,,
100.060.115,266-148-5,66104-42-5,Disodium N-[(p-tolyl)sulphonyl]-L-glutamate,disodium 2-{[(4-methylphenyl)sulfonyl]amino}pentanedioate,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C12H15NO6S.2Na/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15;;/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2",C12H15NO6S.2Na,,,,,,HEBHJTRJCWUUQW-XRIOVQLTSA-L,,,,,,,,,,,
100.060.118,266-151-1,66104-46-9,"3-[(3,4-dimethylphenyl)azo]pyridine-2,6-diamine monohydrochloride","3-[(3,4-dimethylphenyl)diazenyl]pyridine-2,6-diamine hydrochloride",Cl.Nc2nc(N)ccc2N=Nc1cc(C)c(C)cc1,Cl.Nc2nc(N)ccc2N=Nc1cc(C)c(C)cc1,"InChI=1/C13H15N5.ClH/c1-8-3-4-10(7-9(8)2)17-18-11-5-6-12(14)16-13(11)15;/h3-7H,1-2H3,(H4,14,15,16);1H",C13H15N5.ClH,,,,,,KSJLLAQYHMTBGF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.633,267-816-9,67936-13-4,"2,5-dihydro-2-isopropyl-4-methylthiazole","2-isopropyl-4-methyl-2,5-dihydro-1,3-thiazole",CC(C)C1SCC(=N1)C,CC(C)C1SCC(=N1)C,"InChI=1/C7H13NS/c1-5(2)7-8-6(3)4-9-7/h5,7H,4H2,1-3H3",C7H13NS,,,,,,RSSCOFSBIBEMBM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.800,265-799-2,65505-25-1,Tetrahydrofurfuryl cinnamate,tetrahydrofuran-2-ylmethyl 3-phenylacrylate,O=C(OCC1CCCO1)\\C=C\\c2ccccc2,O=C(OCC1CCCO1)\C=C\c2ccccc2,"InChI=1/C14H16O3/c15-14(17-11-13-7-4-10-16-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2",C14H16O3,,,,,,QCMSQCLNALBZOD-CMDGGOBGSA-N,,,,,,,,,,,
100.059.801,265-800-6,65510-55-6,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodohexadecane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodohexadecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C16H4F29I/c17-3(18,1-2-46)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h1-2H2",C16H4F29I,,,,,,KHGHLOYBMLYJPS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.802,265-801-1,65510-56-7,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-iodoundecane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-iodoundecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C11H4F19I/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1-2H2",C11H4F19I,,,,,,UXFIGGWFHDAMOO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.807,265-806-9,65520-45-8,Bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] succinate,bis{2-[2-(2-butoxyethoxy)ethoxy]ethyl} succinate,CCCCOCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOCCCC,CCCCOCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOCCCC,"InChI=1/C24H46O10/c1-3-5-9-27-11-13-29-15-17-31-19-21-33-23(25)7-8-24(26)34-22-20-32-18-16-30-14-12-28-10-6-4-2/h3-22H2,1-2H3",C24H46O10,,,,,,POSOSGFICGBKPO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.808,265-807-4,65520-46-9,Bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] adipate,bis{2-[2-(2-butoxyethoxy)ethoxy]ethyl} adipate,CCCCOCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCOCCCC,CCCCOCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCOCCCC,"InChI=1/C26H50O10/c1-3-5-11-29-13-15-31-17-19-33-21-23-35-25(27)9-7-8-10-26(28)36-24-22-34-20-18-32-16-14-30-12-6-4-2/h3-24H2,1-2H3",C26H50O10,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12222,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.808,NRUKYANAWUDQNY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.813,265-813-7,65540-54-7,"Ethyl 3,3-dimethylspiro[cyclopropane-1,1'-[1H]indene]-2-carboxylate","ethyl 3,3-dimethylspiro[cyclopropane-1,1'-indene]-2-carboxylate",CCOC(=O)C1C(C)(C)C12C=Cc3ccccc23,CCOC(=O)C1C(C)(C)C12C=Cc3ccccc23,"InChI=1/C16H18O2/c1-4-18-14(17)13-15(2,3)16(13)10-9-11-7-5-6-8-12(11)16/h5-10,13H,4H2,1-3H3",C16H18O2,,,,,,ILSQQIOQNIKPAG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.814,265-814-2,65540-57-0,"Potassium 2-hydrazono-2,3-dihydro-3-methylbenzothiazole-6-sulphonate","potassium 2-hydrazono-3-methyl-2,3-dihydro-1,3-benzothiazole-6-sulfonate",[K+].[O-]S(=O)(=O)c1ccc2c(c1)SC(=NN)N2C,[K+].[O-]S(=O)(=O)c1ccc2c(c1)SC(=NN)N2C,"InChI=1/C8H9N3O3S2.K/c1-11-6-3-2-5(16(12,13)14)4-7(6)15-8(11)10-9;/h2-4H,9H2,1H3,(H,12,13,14);/q;+1/p-1",C8H9N3O3S2.K,,,,,,FRBWOMAJEDCGPE-UHFFFAOYSA-M,,,,,,,,,,,
100.060.680,266-768-6,67603-68-3,4-(propoxycarbonyl)phenyl 3-amino-4-methylbenzoate,4-(propoxycarbonyl)phenyl 3-amino-4-methylbenzoate,CCCOC(=O)c1ccc(OC(=O)c2ccc(C)c(N)c2)cc1,CCCOC(=O)c1ccc(OC(=O)c2ccc(C)c(N)c2)cc1,"InChI=1/C18H19NO4/c1-3-10-22-17(20)13-6-8-15(9-7-13)23-18(21)14-5-4-12(2)16(19)11-14/h4-9,11H,3,10,19H2,1-2H3",C18H19NO4,,,,,,FCHWUWAOAMZMMT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.693,266-782-2,67633-82-3,(2-cyanoethyl)ethyl(2-hydroxyethyl)[2-[(1-oxooctadecyl)amino]ethyl]ammonium ethyl sulphate,2-cyano-N-ethyl-N-(2-hydroxyethyl)-N-[2-(stearoylamino)ethyl]ethanaminium ethyl sulfate,CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCO)CCC#N.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCO)CCC#N.CCOS(=O)(=O)[O-],"InChI=1/C27H53N3O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(32)29-22-24-30(4-2,25-26-31)23-19-21-28;1-2-6-7(3,4)5/h31H,3-20,22-26H2,1-2H3;2H2,1H3,(H,3,4,5)",C27H54N3O2.C2H5O4S,,,,,,SMLFYWFPNTYKPW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.702,266-792-7,67633-91-4,1-methyl 2-sulphohexanoate,1-methoxy-1-oxohexane-2-sulfonic acid,CCCCC(C(=O)OC)S(=O)(=O)O,CCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C7H14O5S/c1-3-4-5-6(7(8)12-2)13(9,10)11/h6H,3-5H2,1-2H3,(H,9,10,11)",C7H14O5S,,,,,,UBYPTUABMDKJNG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.703,266-793-2,67633-92-5,"5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene","5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",CCOC(OCC)C1CC2CC1C3C=CCC23,CCOC(OCC)C1CC2CC1C3C=CCC23,"InChI=1/C15H24O2/c1-3-16-15(17-4-2)14-9-10-8-13(14)12-7-5-6-11(10)12/h5,7,10-15H,3-4,6,8-9H2,1-2H3",C15H24O2,,,,,,NFJHOPJJPMLCRF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.235,261-878-0,59716-06-2,"(±)-4-benzhydryl-2-[(3,4-dimethoxyphenyl)methyl]-1,2-dimethylpiperazine","2-(3,4-dimethoxybenzyl)-4-(diphenylmethyl)-1,2-dimethylpiperazine",COc1ccc(CC2(C)CN(CCN2C)C(c3ccccc3)c4ccccc4)cc1OC,COc1ccc(CC2(C)CN(CCN2C)C(c3ccccc3)c4ccccc4)cc1OC,"InChI=1/C28H34N2O2/c1-28(20-22-15-16-25(31-3)26(19-22)32-4)21-30(18-17-29(28)2)27(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,19,27H,17-18,20-21H2,1-4H3",C28H34N2O2,,,,,,HBIDWFPFQACMBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.057,266-083-2,66037-07-8,1-(4-cyanophenyl)-3-(2-hydroxy-4-nitrophenyl)urea,1-(4-cyanophenyl)-3-(2-hydroxy-4-nitrophenyl)urea,Oc1cc(ccc1NC(=O)Nc2ccc(cc2)C#N)[N+](=O)[O-],Oc1cc(ccc1NC(=O)Nc2ccc(cc2)C#N)[N+](=O)[O-],"InChI=1/C14H10N4O4/c15-8-9-1-3-10(4-2-9)16-14(20)17-12-6-5-11(18(21)22)7-13(12)19/h1-7,19H,(H2,16,17,20)",C14H10N4O4,,,,,,NARNFDJIIYAEGN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.063,266-090-0,66052-05-9,4-hexyloxynaphthalene-1-carbonitrile,4-(hexyloxy)-1-naphthonitrile,CCCCCCOc1ccc(C#N)c2ccccc12,CCCCCCOc1ccc(C#N)c2ccccc12,"InChI=1/C17H19NO/c1-2-3-4-7-12-19-17-11-10-14(13-18)15-8-5-6-9-16(15)17/h5-6,8-11H,2-4,7,12H2,1H3",C17H19NO,,,,,,DYLLLOIDOOTBBM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.064,266-091-6,66052-08-2,1-bromo-4-hexyloxynaphthalene,1-bromo-4-(hexyloxy)naphthalene,CCCCCCOc1ccc(Br)c2ccccc12,CCCCCCOc1ccc(Br)c2ccccc12,"InChI=1/C16H19BrO/c1-2-3-4-7-12-18-16-11-10-15(17)13-8-5-6-9-14(13)16/h5-6,8-11H,2-4,7,12H2,1H3",C16H19BrO,,,,,,IDDQEDUFJYAFOE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.065,266-092-1,66052-32-2,"Methyl 2,5-dimethyl-2-vinylhex-4-enoate","methyl 2,5-dimethyl-2-vinylhex-4-enoate",COC(=O)C(C)(CC=C(C)C)C=C,COC(=O)C(C)(CC=C(C)C)C=C,"InChI=1/C11H18O2/c1-6-11(4,10(12)13-5)8-7-9(2)3/h6-7H,1,8H2,2-5H3",C11H18O2,,,,,,XMOTZXPRFDJZPA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.961,267-077-2,67785-94-8,"N,N'-[iminobis(ethyleneiminoethylene)]dioleamide","N-(13-oxo-3,6,9,12-tetraazatriacont-21-en-1-yl)octadec-9-enamide (non-preferred name)",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C44H87N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45-47H,3-16,21-42H2,1-2H3,(H,48,50)(H,49,51)",C44H87N5O2,,,,,,KYVMYYMBMFHFLN-CLFAGFIQSA-N,,,,,,,,,,,
100.060.965,267-081-4,67785-98-2,Morpholinium hydroxyacetate,morpholin-4-ium glycolate,OCC(=O)[O-].C1COCC[NH2+]1,OCC(=O)[O-].C1COCC[NH2+]1,"InChI=1/C4H9NO.C2H4O3/c1-3-6-4-2-5-1;3-1-2(4)5/h5H,1-4H2;3H,1H2,(H,4,5)",C4H9NO.C2H4O3,,,,,,RIUDGYLEEGUDAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.968,267-085-6,67786-02-1,(Z)-3-ethyl-2-heptadec-8-enyl-1-(2-hydroxyethyl)imidazolidinium ethyl sulphate,3-ethyl-2-heptadec-8-en-1-yl-1-(2-hydroxyethyl)imidazolidin-1-ium ethyl sulfate,CCCCCCCC\\C=C/CCCCCCCC1N(CC)CC[NH+]1CCO.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC1N(CC)CC[NH+]1CCO.CCOS(=O)(=O)[O-],"InChI=1/C24H48N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h11-12,24,27H,3-10,13-23H2,1-2H3;2H2,1H3,(H,3,4,5)",C24H48N2O.C2H6O4S,,,,,,ARBCCVBLRJCUPO-AFEZEDKISA-N,,,,,,,,,,,
100.060.979,267-097-1,67786-25-8,"Tetrasodium 4,4'-bis[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].CC(O)CN(CC(C)O)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CC(C)O)CC(C)O)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].CC(O)CN(CC(C)O)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CC(C)O)CC(C)O)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C44H52N12O16S4.4Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4",C44H52N12O16S4.4Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15011,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.979,NTHKAJBKFNFLHL-WPYDVODASA-J,,,,,,,,,,,
100.060.984,267-102-7,67800-14-0,3-(4-fluorophenyl)indan-1-one,3-(4-fluorophenyl)indan-1-one,Fc1ccc(cc1)C2CC(=O)c3ccccc23,Fc1ccc(cc1)C2CC(=O)c3ccccc23,"InChI=1/C15H11FO/c16-11-7-5-10(6-8-11)14-9-15(17)13-4-2-1-3-12(13)14/h1-8,14H,9H2",C15H11FO,,,,,,MVZZRCWDWNZKGX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.985,267-103-2,67800-79-7,Methyl o-[(2-pentyl-2-nonenylidene)amino]benzoate,methyl 2-[(2-pentylnon-2-en-1-ylidene)amino]benzoate,COC(=O)c1ccccc1N=CC(CCCCC)=CCCCCCC,COC(=O)c1ccccc1N=CC(CCCCC)=CCCCCCC,"InChI=1/C22H33NO2/c1-4-6-8-9-11-15-19(14-10-7-5-2)18-23-21-17-13-12-16-20(21)22(24)25-3/h12-13,15-18H,4-11,14H2,1-3H3",C22H33NO2,,,,,,IAHAHMKOSPDZNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.996,267-115-8,67800-91-3,Ethyl 3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium sulphate,"3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium ethyl sulfate",[O-]S(=O)(=O)OCC.CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,[O-]S(=O)(=O)OCC.CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,"InChI=1/C22H23N2S2.C2H6O4S/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;1-2-6-7(3,4)5/h6-15H,4-5H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C22H23N2S2.C2H5O4S,,,,,,ORGLOPDBXCEQCS-UHFFFAOYSA-M,,,,,,,,,,,
100.038.173,242-006-8,18109-81-4,Diethyl[2-[2-(2-phenylbutyroyloxy)ethoxy]ethyl]ammonium dihydrogen citrate,"N,N-diethyl-2-{2-[(2-phenylbutanoyl)oxy]ethoxy}ethanaminium dihydrogen citrate",CCC(C(=O)OCCOCC[NH+](CC)CC)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CCC(C(=O)OCCOCC[NH+](CC)CC)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C18H29NO3.C6H8O7/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,17H,4-6,12-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C18H29NO3.C6H8O7,,,,,,JVKMHUAWFDGPTF-UHFFFAOYSA-L,,,,,,,,,,,
100.038.178,242-012-0,18122-77-5,"1,1'-(1,2-dibromoethane-1,2-diyl)bis[3,4-dibromocyclohexane]","1,1'-(1,2-dibromoethane-1,2-diyl)bis(3,4-dibromocyclohexane)",BrC(C(Br)C1CCC(Br)C(Br)C1)C2CCC(Br)C(Br)C2,BrC(C(Br)C1CCC(Br)C(Br)C1)C2CCC(Br)C(Br)C2,"InChI=1/C14H20Br6/c15-9-3-1-7(5-11(9)17)13(19)14(20)8-2-4-10(16)12(18)6-8/h7-14H,1-6H2",C14H20Br6,,,,,,YBYGCIBLVFGTOD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.181,242-015-7,18126-38-0,2-(1-methylallyl)cyclohex-3-ene-1-carbaldehyde,2-(1-methylprop-2-en-1-yl)cyclohex-3-ene-1-carbaldehyde,CC(C=C)C1C=CCCC1C=O,CC(C=C)C1C=CCCC1C=O,"InChI=1/C11H16O/c1-3-9(2)11-7-5-4-6-10(11)8-12/h3,5,7-11H,1,4,6H2,2H3",C11H16O,,,,,,FZOJSMSNVKNZQH-UHFFFAOYSA-N,,,,,,,,,,,
100.038.183,242-017-8,18127-07-6,Octahydro-1-(trichloromethyl)pentalene,1-(trichloromethyl)octahydropentalene,ClC(Cl)(Cl)C1CCC2CCCC12,ClC(Cl)(Cl)C1CCC2CCCC12,"InChI=1/C9H13Cl3/c10-9(11,12)8-5-4-6-2-1-3-7(6)8/h6-8H,1-5H2",C9H13Cl3,,,,,,ALVRJPFFWYTSIS-UHFFFAOYSA-N,,,,,,,,,,,
100.038.185,242-019-9,18134-58-2,"Trichloro(1,4,5,6,7,7-hexachloro-5-norbornen-2-yl)silane","trichloro(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)silane",ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)[Si](Cl)(Cl)Cl,ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)[Si](Cl)(Cl)Cl,"InChI=1/C7H3Cl9Si/c8-3-4(9)6(11)2(17(14,15)16)1-5(3,10)7(6,12)13/h2H,1H2",C7H3Cl9Si,,,,,,DPLYFAVJGFFOBB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.917,234-022-9,10496-15-8,Dihexyl disulphide,"1,1'-disulfanediyldihexane",CCCCCCSSCCCCCC,CCCCCCSSCCCCCC,"InChI=1/C12H26S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3",C12H26S2,,,,,,GJPDBURPGLWRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.030.919,234-025-5,10496-51-2,2-(2-furfurylidene)cyclohexan-1-one,2-(2-furylmethylene)cyclohexanone,O=C2CCCCC2=Cc1ccco1,O=C2CCCCC2=Cc1ccco1,"InChI=1/C11H12O2/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h3,5,7-8H,1-2,4,6H2",C11H12O2,,,,,,XLILSZDCLCSYMR-UHFFFAOYSA-N,,,,,,,,,,,
100.030.931,234-038-6,10507-48-9,Propyl (Z)-docos-13-enoate,propyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCCC,"InChI=1/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24-4-2/h11-12H,3-10,13-24H2,1-2H3",C25H48O2,,,,,,ZBCJNEVCBQAZRU-QXMHVHEDSA-N,,,,,,,,,,,
100.030.935,234-042-8,10508-09-5,Di-tert-pentyl peroxide,"2,2'-dioxybis(2-methylbutane)",CCC(C)(C)OOC(C)(C)CC,CCC(C)(C)OOC(C)(C)CC,"InChI=1/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3",C10H22O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15822,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.935,JJRDRFZYKKFYMO-UHFFFAOYSA-N,,,,,,,,,,,
100.030.937,234-044-9,10510-77-7,5-ethylphenazinium ethyl sulphate,5-ethylphenazin-5-ium ethyl sulfate,CCOS(=O)(=O)[O-].CC[n+]1c2ccccc2nc3ccccc13,CCOS(=O)(=O)[O-].CC[n+]1c2ccccc2nc3ccccc13,"InChI=1/C14H13N2.C2H6O4S/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16;1-2-6-7(3,4)5/h3-10H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C14H13N2.C2H5O4S,,,,,,VDJKJPMLWJWQIH-UHFFFAOYSA-M,,,,,,,,,,,
100.030.947,234-055-9,10519-12-7,Decahydro-2-naphthyl formate,decahydronaphthalen-2-yl formate,O=COC1CCC2CCCCC2C1,O=COC1CCC2CCCCC2C1,"InChI=1/C11H18O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h8-11H,1-7H2",C11H18O2,,,,,,NMFWOBQDDWFAAB-UHFFFAOYSA-N,,,,,,,,,,,
100.030.951,234-060-6,10519-87-6,Dimethyldivinylsilane,dimethyl(divinyl)silane,C[Si](C)(C=C)C=C,C[Si](C)(C=C)C=C,"InChI=1/C6H12Si/c1-5-7(3,4)6-2/h5-6H,1-2H2,3-4H3",C6H12Si,,,,,,QRHCILLLMDEFSD-UHFFFAOYSA-N,,,,,,,,,,,
100.030.961,234-071-6,10522-37-9,Undec-3-en-2-one,undec-3-en-2-one,CC(=O)C=CCCCCCCC,CC(=O)C=CCCCCCCC,"InChI=1/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h9-10H,3-8H2,1-2H3",C11H20O,,,,,,CCXHMPZXKYIXPU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.967,234-077-9,10525-14-1,N-(2-hydroxypropyl)myristamide,N-(2-hydroxypropyl)tetradecanamide,CCCCCCCCCCCCCC(=O)NCC(C)O,CCCCCCCCCCCCCC(=O)NCC(C)O,"InChI=1/C17H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18-15-16(2)19/h16,19H,3-15H2,1-2H3,(H,18,20)",C17H35NO2,,,,,,WGBIOGHOLKYEAM-UHFFFAOYSA-N,,,,,,,,,,,
100.034.790,238-286-6,14337-53-2,5-diethylamino-2-(5-bromo-2-pyridylazo)phenol,2-[(5-bromopyridin-2-yl)diazenyl]-5-(diethylamino)phenol,CCN(CC)c2ccc(N=Nc1ccc(Br)cn1)c(O)c2,CCN(CC)c2ccc(N=Nc1ccc(Br)cn1)c(O)c2,"InChI=1/C15H17BrN4O/c1-3-20(4-2)12-6-7-13(14(21)9-12)18-19-15-8-5-11(16)10-17-15/h5-10,21H,3-4H2,1-2H3",C15H17BrN4O,,,,,,HNVCXDAVEHOIBP-UHFFFAOYSA-N,,,,,,,,,,,
100.034.794,238-290-8,14338-93-3,Cerium(4+) perchlorate,cerium(4+) tetraperchlorate,[Ce+4].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Ce+4].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/Ce.4ClHO4/c;4*2-1(3,4)5/h;4*(H,2,3,4,5)/q+4;;;;/p-4",Ce.4ClHO4,,,,,,VDNBDUGCNUZGGR-UHFFFAOYSA-J,,,,,,,,,,,
100.034.800,238-297-6,14346-01-1,"3-(2,5-dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid","3-(2,5-dichloro-3-thienyl)-5-methylisoxazole-4-carboxylic acid",Cc1onc(c2cc(Cl)sc2Cl)c1C(=O)O,Cc1onc(c2cc(Cl)sc2Cl)c1C(=O)O,"InChI=1/C9H5Cl2NO3S/c1-3-6(9(13)14)7(12-15-3)4-2-5(10)16-8(4)11/h2H,1H3,(H,13,14)",C9H5Cl2NO3S,,,,,,TXWLOFWEAIMFEW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.648,267-833-1,67939-32-6,"1-butyl 2,3-dioctadecyl 2-hydroxypropane-1,2,3-tricarboxylate","1-butyl 2,3-dioctadecyl citrate",CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C46H88O7/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-52-44(48)42-46(50,41-43(47)51-38-9-6-3)45(49)53-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h50H,4-42H2,1-3H3",C46H88O7,,,,,,BOGZDDCCRGHCMS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.649,267-834-7,67939-33-7,2-[ethyl[(nonafluorobutyl)sulphonyl]amino]ethyl methacrylate,2-{ethyl[(nonafluorobutyl)sulfonyl]amino}ethyl methacrylate,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H14F9NO4S/c1-4-22(5-6-26-8(23)7(2)3)27(24,25)12(20,21)10(15,16)9(13,14)11(17,18)19/h2,4-6H2,1,3H3",C12H14F9NO4S,,,,,,DSOQNQBWSKFGJG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.652,267-837-3,67939-43-9,"Tetrasodium 4-amino-5-hydroxy-6-[[2-methoxy-5-methyl-4-[[8-[(phenylsulphonyl)oxy]-3,6-disulphonato-1-naphthyl]azo]phenyl]azo]naphthalene-2,7-disulphonate","tetrasodium 5-amino-4-hydroxy-3-{[2-methoxy-5-methyl-4-({8-[(phenylsulfonyl)oxy]-3,6-disulfonato-1-naphthyl}diazenyl)phenyl]diazenyl}naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc3cc(cc2cc(cc(OS(=O)(=O)c1ccccc1)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc3cc(cc2cc(cc(OS(=O)(=O)c1ccccc1)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C34H27N5O17S5.4Na/c1-17-8-26(37-39-33-30(60(50,51)52)12-19-11-21(57(41,42)43)13-24(35)31(19)34(33)40)28(55-2)16-25(17)36-38-27-14-22(58(44,45)46)9-18-10-23(59(47,48)49)15-29(32(18)27)56-61(53,54)20-6-4-3-5-7-20;;;;/h3-16,40H,35H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4",C34H27N5O17S5.4Na,,,,,,AWEUDCQIDNNFEO-UHFFFAOYSA-J,,,,,,,,,,,
100.056.800,262-500-7,60864-71-3,"2-bromo-9ß,11ß-epoxy-6ß-fluoro-16a,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate","2-bromo-6-fluoro-16,17-dihydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)Br,CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)Br,"InChI=1/C23H26BrFO7/c1-10(26)31-9-18(29)22(30)17(28)6-11-12-4-15(25)13-5-16(27)14(24)7-21(13,3)23(12)19(32-23)8-20(11,22)2/h5,7,11-12,15,17,19,28,30H,4,6,8-9H2,1-3H3",C23H26BrFO7,,,,,,VKTRIDLJTSEUMD-JOHDOJHBSA-N,,,,,,,,,,,
100.056.801,262-501-2,60864-73-5,"2-bromo-6ß-fluoro-16a,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate","2-bromo-6-fluoro-16,17-dihydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]12C)Br,CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]12C)Br,"InChI=1/C23H26BrFO6/c1-11(26)31-10-20(29)23(30)19(28)8-14-12-6-17(25)15-7-18(27)16(24)9-21(15,2)13(12)4-5-22(14,23)3/h4,7,9,12,14,17,19,28,30H,5-6,8,10H2,1-3H3",C23H26BrFO6,,,,,,XPLXQTZSCTVTKW-GTFPCPOTSA-N,,,,,,,,,,,
100.056.804,262-504-9,60869-68-3,3-chloro-4-(diethylamino)benzenediazonium tetrachlorozincate (2:1),bis[3-chloro-4-(diethylamino)benzenediazonium] tetrachlorozincate(2-),CCN(CC)c1ccc(cc1Cl)[N+]#N.CCN(CC)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc(cc1Cl)[N+]#N.CCN(CC)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C10H13ClN3.4ClH.Zn/c2*1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;;;;;/h2*5-7H,3-4H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C10H13ClN3.Cl4Zn/c2*1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;1-5(2,3)4/h2*5-7H,3-4H2,1-2H3;/q2*+1;-2",C10H13ClN3.1/2Cl4Zn,,,,,,VQPXWDPMZAPTTQ-UHFFFAOYSA-J,,,,,,,,,,,
100.056.810,262-511-7,60875-26-5,"(Z)-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-methyl-1H-imidazolium methyl sulphate","2-heptadec-8-en-1-yl-1-(2-hydroxyethyl)-1-methyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCC\\C=C/CCCCCCCC1=NCC[N+]1(C)CCO.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC1=NCC[N+]1(C)CCO.COS(=O)(=O)[O-],"InChI=1/C23H45N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23,2)21-22-26;1-5-6(2,3)4/h10-11,26H,3-9,12-22H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C23H45N2O.CH3O4S,,,,,,TUSDSZOJVXFPSY-GMFCBQQYSA-M,,,,,,,,,,,
100.056.817,262-519-0,60895-22-9,"6ß,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione","6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3",C22H28F2O5,,,,,,WXURHACBFYSXBI-QODHSQIYSA-N,,,,,,,,,,,
100.056.824,262-526-9,60923-20-8,Methyl 4-nitropyridine-2-carboxylate 1-oxide,methyl 4-nitropyridine-2-carboxylate 1-oxide,COC(=O)c1cc(cc[n+]1[O-])[N+](=O)[O-],COC(=O)c1cc(cc[n+]1[O-])[N+](=O)[O-],"InChI=1/C7H6N2O5/c1-14-7(10)6-4-5(9(12)13)2-3-8(6)11/h2-4H,1H3",C7H6N2O5,,,,,,FWXJLEXAELCZOA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.830,262-533-7,60946-69-2,"10a-[2-[4-(dimethylamino)phenyl]vinyl]-3,4,10,10a-tetrahydro-10,10-dimethylpyrimido[1,2-a]indol-2(1H)-one","10a-{2-[4-(dimethylamino)phenyl]vinyl}-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one",CN(C)c1ccc(\\C=C\\C23NC(=O)CCN2c4ccccc4C3(C)C)cc1,CN(C)c1ccc(\C=C\C23NC(=O)CCN2c4ccccc4C3(C)C)cc1,"InChI=1/C23H27N3O/c1-22(2)19-7-5-6-8-20(19)26-16-14-21(27)24-23(22,26)15-13-17-9-11-18(12-10-17)25(3)4/h5-13,15H,14,16H2,1-4H3,(H,24,27)",C23H27N3O,,,,,,GRDAWTQQWOGWLJ-FYWRMAATSA-N,,,,,,,,,,,
100.056.236,261-879-6,59719-67-4,"Bis[2-[2-(1-methylethyl)-3-oxazolidinyl]ethyl] hexan-1,2-diylbiscarbamate","bis[2-(2-isopropyl-1,3-oxazolidin-3-yl)ethyl] hexane-1,2-diylbiscarbamate",CCCCC(CNC(=O)OCCN1CCOC1C(C)C)NC(=O)OCCN2CCOC2C(C)C,CCCCC(CNC(=O)OCCN1CCOC1C(C)C)NC(=O)OCCN2CCOC2C(C)C,"InChI=1/C24H46N4O6/c1-6-7-8-20(26-24(30)34-16-12-28-10-14-32-22(28)19(4)5)17-25-23(29)33-15-11-27-9-13-31-21(27)18(2)3/h18-22H,6-17H2,1-5H3,(H,25,29)(H,26,30)",C24H46N4O6,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6626,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.236,OUWWFNRXCWNOPX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.238,261-881-7,59719-97-0,"1,1',1''-[methylidynetris(oxy)]tris(tridecane)","1,1',1''-[methanetriyltris(oxy)]tritridecane",CCCCCCCCCCCCCOC(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC,"InChI=1/C40H82O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-41-40(42-38-35-32-29-26-23-20-17-14-11-8-5-2)43-39-36-33-30-27-24-21-18-15-12-9-6-3/h40H,4-39H2,1-3H3",C40H82O3,,,,,,JBNCQQVJICVAHS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.241,261-884-3,59725-00-7,Triphenyl(propyl)phosphonium bromide,triphenyl(propyl)phosphonium bromide,[Br-].CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1",C21H22BrP,,,,,,XMQSELBBYSAURN-UHFFFAOYSA-M,,,,,,,,,,,
100.056.242,261-885-9,59725-01-8,Bromopentyltriphenylphosphorane,bromo(pentyl)triphenylphosphorane,CCCCCP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,CCCCCP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C23H26BrP/c1-2-3-13-20-25(24,21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-19H,2-3,13,20H2,1H3",C23H26BrP,,,,,,AIGLQVZTPYKOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.247,261-891-1,59729-33-8,Citalopram,"1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile",CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,"InChI=1/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3",C20H21FN2O,,,,,,WSEQXVZVJXJVFP-UHFFFAOYSA-N,Positive,AU151301|AU151302|AU151303|AU151304|AU151305;EA290101|EA290102|EA290103|EA290104|EA290105|EA290106|EA290107|EA290108|EA290109|EA290110|EA290111|EA290112|EA290113|EA290114;UF411801|UF411802|UF411803|UF411804,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,325.1715:326.1748:327.1772|325.1711:262.1019:326.174|262.102:234.0698:325.17|234.0709:247.0788:166.0641|247.0777:227.0725:166.0642;262.1028:109.0448:280.1131|325.1713:109.0444|325.1711:262.1026:109.0448|109.0448:262.1025:325.1713|109.0449:234.0715:247.0792|109.0448:247.0791:234.0712|109.0449:246.0713:116.0495|325.1712|325.1711:262.1025:109.0447|109.0448:262.1024:325.1705|109.0448:234.0712:247.079|109.0448:247.079:234.0712|109.0448:246.0712:116.0495|262.1026:109.0448:280.113;109.0449:234.0718:262.1031|109.0448:246.0715:247.0793|262.1031:325.1716:109.0449|262.1029:109.0448:280.1135,Athens_Univ;Eawag;UFZ,,,,,
100.056.249,261-893-2,59736-00-4,N-(3-aminophenyl)acetamide hydrochloride,N-(3-aminophenyl)acetamide hydrochloride,Cl.CC(=O)Nc1cccc(N)c1,Cl.CC(=O)Nc1cccc(N)c1,"InChI=1/C8H10N2O.ClH/c1-6(11)10-8-4-2-3-7(9)5-8;/h2-5H,9H2,1H3,(H,10,11);1H",C8H10N2O.xClH,,,,,,NALDFXSDXQXFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.879,263-687-8,62669-70-9,"3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride","3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride",[Cl-].COC(=O)c1ccccc1c2c3ccc(N)cc3[o+]c4cc(N)ccc24,[Cl-].COC(=O)c1ccccc1c2c3ccc(N)cc3[o+]c4cc(N)ccc24,"InChI=1/C21H17N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11H,22-23H2,1H3;1H/q+1;/p-1",C21H17N2O3.Cl,,,,,,TUFFYSFVSYUHPA-UHFFFAOYSA-M,,,,,,,,,,,
100.057.886,263-695-1,62681-99-6,"2,5-bis(3-fluorophenyl)-1,3,4-oxadiazole","2,5-bis(3-fluorophenyl)-1,3,4-oxadiazole",Fc1cccc(c1)c2oc(nn2)c3cccc(F)c3,Fc1cccc(c1)c2oc(nn2)c3cccc(F)c3,InChI=1/C14H8F2N2O/c15-11-5-1-3-9(7-11)13-17-18-14(19-13)10-4-2-6-12(16)8-10/h1-8H,C14H8F2N2O,,,,,,ROYCICSWSRZMRS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.289,265-238-1,64794-59-8,1-(benzyl)-2-(2-sulphonatoethyl)pyridinium,2-(1-benzylpyridinium-2-yl)ethanesulfonate,[O-]S(=O)(=O)CCc1cccc[n+]1Cc2ccccc2,[O-]S(=O)(=O)CCc1cccc[n+]1Cc2ccccc2,"InChI=1/C14H15NO3S/c16-19(17,18)11-9-14-8-4-5-10-15(14)12-13-6-2-1-3-7-13/h1-8,10H,9,11-12H2",C14H15NO3S,,,,,,LJVDBAUGXHRHIS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.290,265-239-7,64794-67-8,"1,1'-[1,2-phenylenebis(methylene)]bis[2-(2-sulphonatoethyl)pyridinium]","2,2'-[1,2-phenylenebis(methylenepyridinium-1,2-diyl)]diethanesulfonate",[O-]S(=O)(=O)CCc1cccc[n+]1Cc2ccccc2C[n+]3ccccc3CCS(=O)(=O)[O-],[O-]S(=O)(=O)CCc1cccc[n+]1Cc2ccccc2C[n+]3ccccc3CCS(=O)(=O)[O-],"InChI=1/C22H24N2O6S2/c25-31(26,27)15-11-21-9-3-5-13-23(21)17-19-7-1-2-8-20(19)18-24-14-6-4-10-22(24)12-16-32(28,29)30/h1-10,13-14H,11-12,15-18H2",C22H24N2O6S2,,,,,,NBKNNGIDZTZNTA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.292,265-241-8,64800-83-5,Ethyl(phenylethyl)benzene,1-ethyl-2-(1-phenylethyl)benzene,CCc1ccccc1C(C)c2ccccc2,CCc1ccccc1C(C)c2ccccc2,"InChI=1/C16H18/c1-3-14-9-7-8-12-16(14)13(2)15-10-5-4-6-11-15/h4-13H,3H2,1-2H3",C16H18,,,,,,SCKLXKXVABYWRC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.294,265-243-9,64819-51-8,2-(tert-butylazo)-5-methylhexan-2-ol,2-(tert-butyldiazenyl)-5-methylhexan-2-ol,CC(C)(C)N=NC(C)(O)CCC(C)C,CC(C)(C)N=NC(C)(O)CCC(C)C,"InChI=1/C11H24N2O/c1-9(2)7-8-11(6,14)13-12-10(3,4)5/h9,14H,7-8H2,1-6H3",C11H24N2O,,,,,,MDDJNDDOPKOSPR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.297,265-247-0,64835-62-7,"2-methyl-1,4-phenylene 4-butylbenzoate","2-methyl-1,4-phenylene bis(4-butylbenzoate)",CCCCc1ccc(cc1)C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)c(C)c2,CCCCc1ccc(cc1)C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)c(C)c2,"InChI=1/C29H32O4/c1-4-6-8-22-10-14-24(15-11-22)28(30)32-26-18-19-27(21(3)20-26)33-29(31)25-16-12-23(13-17-25)9-7-5-2/h10-20H,4-9H2,1-3H3",C29H32O4,,,,,,NYWMWXDEVFKTJK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.300,265-250-7,64838-55-7,(S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-L-proline,1-[3-(acetylsulfanyl)-2-methylpropanoyl]-L-proline,CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O,CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)",C11H17NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18112,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.300,ZNQRGUYIKSRYCI-NETXQHHPSA-N,,,,,,,,,,,
100.054.852,260-357-5,56729-05-6,"3-[[4-[[2-(benzoyloxy)ethyl]ethylamino]phenyl]azo]dimethyl-1H-1,2,4-triazolium chloride","3-[(4-{[2-(benzoyloxy)ethyl](ethyl)amino}phenyl)diazenyl]-1,1-dimethyl-1H-1,2,4-triazol-1-ium chloride",[Cl-].CCN(CCOC(=O)c1ccccc1)c2ccc(cc2)N=Nc3nc[n+](C)(C)n3,[Cl-].CCN(CCOC(=O)c1ccccc1)c2ccc(cc2)N=Nc3nc[n+](C)(C)n3,"InChI=1/C21H25N6O2.ClH/c1-4-26(14-15-29-20(28)17-8-6-5-7-9-17)19-12-10-18(11-13-19)23-24-21-22-16-27(2,3)25-21;/h5-13,16H,4,14-15H2,1-3H3;1H/q+1;/p-1",C21H25N6O2.Cl,,,,,,XMLGBJZQDYFHSU-UHFFFAOYSA-M,,,,,,,,,,,
100.054.854,260-359-6,56735-29-6,2-(acetylhydrazono)-2-phenylacetohydrazide,2-(acetylhydrazono)-2-phenylacetohydrazide,NNC(=O)C(=NNC(C)=O)c1ccccc1,NNC(=O)C(=NNC(C)=O)c1ccccc1,"InChI=1/C10H12N4O2/c1-7(15)13-14-9(10(16)12-11)8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,16)(H,13,15)",C10H12N4O2,,,,,,GMMXCUJVWPKZDL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.869,260-375-3,56773-42-3,Tetraethylammonium heptadecafluorooctanesulphonate,"N,N,N-triethylethanaminium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate",CC[N+](CC)(CC)CC.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC[N+](CC)(CC)CC.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF17O3S.C8H20N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-5-9(6-2,7-3)8-4/h(H,26,27,28);5-8H2,1-4H3/q;+1/p-1",C8H20N.C8F17O3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10980,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.869,JHDXAQHGAJXNBY-UHFFFAOYSA-M,,,,,,,,,,,
100.046.501,251-167-3,32705-90-1,"1,1'-(ethane-1,2-diyl)bisimidazolidine-2,4-dione","1,1'-ethane-1,2-diyldiimidazolidine-2,4-dione",O=C1CN(CCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C8H10N4O4/c13-5-3-11(7(15)9-5)1-2-12-4-6(14)10-8(12)16/h1-4H2,(H,9,13,15)(H,10,14,16)",C8H10N4O4,,,,,,HCBIJOURJUFTAA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.505,251-172-0,32718-30-2,Trifluoropropene,"1,1,2-trifluoroprop-1-ene",CC(=C(F)F)F,CC(=C(F)F)F,InChI=1/C3H3F3/c1-2(4)3(5)6/h1H3,C3H3F3,,,,,,LNGDLROYEAUMEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.507,251-174-1,32718-54-0,Methoxyethanol,2-methoxyethanol,COCCO,COCCO,"InChI=1/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3",C3H8O2,,,,,,XNWFRZJHXBZDAG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.510,251-177-8,32723-67-4,3-methyl-4-anisaldehyde,4-methoxy-3-methylbenzaldehyde,COc1ccc(C=O)cc1C,COc1ccc(C=O)cc1C,"InChI=1/C9H10O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-6H,1-2H3",C9H10O2,,,,,,MYLBIQHZWFWSMH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.515,251-183-0,32734-93-3,1-chlorododecene,1-chlorododec-1-ene,CCCCCCCCCCC=CCl,CCCCCCCCCCC=CCl,"InChI=1/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h11-12H,2-10H2,1H3",C12H23Cl,,,,,,TWZIVEXYNWAOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.518,251-186-7,32741-11-0,tert-butylpyrazine,2-tert-butylpyrazine,CC(C)(C)c1cnccn1,CC(C)(C)c1cnccn1,"InChI=1/C8H12N2/c1-8(2,3)7-6-9-4-5-10-7/h4-6H,1-3H3",C8H12N2,,,,,,YNQZVOWNJKASKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.590,252-365-2,35106-15-1,Ethyl menthyl carbonate,ethyl 2-isopropyl-5-methylcyclohexyl carbonate,O=C(OC1CC(C)CCC1C(C)C)OCC,O=C(OC1CC(C)CCC1C(C)C)OCC,"InChI=1/C13H24O3/c1-5-15-13(14)16-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3",C13H24O3,,,,,,SYCXJIPGDBATKA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.596,252-372-0,35109-60-5,"1,3,5-tribromo-2-(2,3-dibromopropoxy)benzene","1,3,5-tribromo-2-(2,3-dibromopropoxy)benzene",BrCC(Br)COc1c(Br)cc(Br)cc1Br,BrCC(Br)COc1c(Br)cc(Br)cc1Br,"InChI=1/C9H7Br5O/c10-3-6(12)4-15-9-7(13)1-5(11)2-8(9)14/h1-2,6H,3-4H2",C9H7Br5O,,,,,,QXWYPAKUEHGJSG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.599,252-375-7,35112-53-9,Barium thiosulphate,barium thiosulfate,[Ba+2].[O-]S(=O)(=O)[S-],[Ba+2].[O-]S(=O)(=O)[S-],"InChI=1/Ba.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Ba.H2O3S2,,,,,,ONPIOWQPHWNPOQ-UHFFFAOYSA-L,,,,,,,,,,,
100.047.610,252-387-2,35125-09-8,Dichlorobis[1-(ethoxycarbonyl)-2-oxopropyl]titanium,dichloro{bis[1-(ethoxycarbonyl)-2-oxopropyl]}titanium,CCOC(=O)C(C(=O)C)[Ti](Cl)(Cl)C(C(=O)C)C(=O)OCC,CCOC(=O)C(C(=O)C)[Ti](Cl)(Cl)C(C(=O)C)C(=O)OCC,"InChI=1/2C6H9O3.2ClH.Ti/c2*1-3-9-6(8)4-5(2)7;;;/h2*4H,3H2,1-2H3;2*1H;/q;;;;+2/p-2/rC12H18Cl2O6Ti/c1-5-19-11(17)9(7(3)15)21(13,14)10(8(4)16)12(18)20-6-2/h9-10H,5-6H2,1-4H3",C12H18Cl2O6Ti,,,,,,CPLIUSNXWTZBLG-UHFFFAOYSA-L,,,,,,,,,,,
100.047.613,252-390-9,35141-30-1,N-(2-aminoethyl)-N'-[3-(trimethoxysilyl)propyl]ethylenediamine,"N-(2-aminoethyl)-N'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine",CO[Si](CCCNCCNCCN)(OC)OC,CO[Si](CCCNCCNCCN)(OC)OC,"InChI=1/C10H27N3O3Si/c1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h12-13H,4-11H2,1-3H3",C10H27N3O3Si,,,,,,NHBRUUFBSBSTHM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.619,252-397-7,35148-19-7,(E)-dodec-9-enyl acetate,dodec-9-en-1-yl acetate,CC\\C=C\\CCCCCCCCOC(=O)C,CC\C=C\CCCCCCCCOC(=O)C,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3",C14H26O2,,,,,,MFFQOUCMBNXSBK-SNAWJCMRSA-N,,,,,,,,,,,
100.047.620,252-398-2,35151-11-2,5-phenylhex-4-en-2-one,5-phenylhex-4-en-2-one,CC(=O)CC=C(C)c1ccccc1,CC(=O)CC=C(C)c1ccccc1,"InChI=1/C12H14O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3",C12H14O,,,,,,LZVVXQDWHWOTMR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.622,252-400-1,35153-13-0,(Z)-tetradec-5-enyl acetate,tetradec-5-en-1-yl acetate,CCCCCCCC\\C=C/CCCCOC(=O)C,CCCCCCCC\C=C/CCCCOC(=O)C,"InChI=1/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-11H,3-9,12-15H2,1-2H3",C16H30O2,,,,,,IAGBQBDKOCVGCC-KHPPLWFESA-N,,,,,,,,,,,
100.034.804,238-301-6,14350-72-2,Sodium (9-isopropoxy-9-oxononyl)nonyl sulphate,sodium 10-isopropoxy-1-octyl-10-oxodecyl sulfate,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OC(C)C)OS(=O)(=O)[O-],[Na+].CCCCCCCCC(CCCCCCCCC(=O)OC(C)C)OS(=O)(=O)[O-],"InChI=1/C21H42O6S.Na/c1-4-5-6-7-10-13-16-20(27-28(23,24)25)17-14-11-8-9-12-15-18-21(22)26-19(2)3;/h19-20H,4-18H2,1-3H3,(H,23,24,25);/q;+1/p-1",C21H42O6S.Na,,,,,,URDAUWSOXDPZGL-UHFFFAOYSA-M,,,,,,,,,,,
100.034.813,238-311-0,14351-50-9,"N,N-dimethyloleyl N-oxide",dimethyl(octadec-9-en-1-yl)amine oxide,CCCCCCCCC=CCCCCCCCCN(=O)(C)C,CCCCCCCCC=CCCCCCCCCN(=O)(C)C,"InChI=1/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3",C20H41NO,,,,,,QCTZUSWOKFCWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.823,238-322-0,14356-62-8,Sodium N-octadecyl-ß-alaninate,sodium 3-(octadecylamino)propanoate,[Na+].CCCCCCCCCCCCCCCCCCNCCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCNCCC(=O)[O-],"InChI=1/C21H43NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21(23)24;/h22H,2-20H2,1H3,(H,23,24);/q;+1/p-1",C21H43NO2.Na,,,,,,FCQJBGMBPQLHOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.034.826,238-325-7,14357-78-9,Diprenorphine,"17-(cyclopropylmethyl)-7-(1-hydroxy-1-methylethyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol",CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56,CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56,"InChI=1/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3",C26H35NO4,,,,,,OIJXLIIMXHRJJH-KNLIIKEYSA-N,,,,,,,,,,,
100.054.997,260-515-3,57018-04-9,"O-(2,6-dichloro-p-tolyl) O,O-dimethyl thiophosphate","O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate",COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl,COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl,"InChI=1/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3",C9H11Cl2O3PS,,,,,,OBZIQQJJIKNWNO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.018,260-538-9,57069-87-1,"a,6,6-trimethyl-2-methylenecyclohex-3-ene-1-propan-1-ol","4-(6,6-dimethyl-2-methylenecyclohex-3-en-1-yl)butan-2-ol",CC(O)CCC1C(=C)C=CCC1(C)C,CC(O)CCC1C(=C)C=CCC1(C)C,"InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11-12,14H,1,7-9H2,2-4H3",C13H22O,,,,,,MLNIJFIYPHXCKI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.027,260-548-3,57074-37-0,(Z)-4-decenol,dec-4-en-1-ol,CCCCC\\C=C/CCCO,CCCCC\C=C/CCCO,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,11H,2-5,8-10H2,1H3",C10H20O,,,,,,VUNFOJWKJSYIDH-SREVYHEPSA-N,,,,,,,,,,,
100.055.031,260-553-0,57077-45-9,"1,1'-dimethyl-2,2'-oxydiethylene bis(diphenyl phosphite)","oxydipropane-1,2-diyl tetraphenyl bis(phosphite)",CC(COCC(C)OP(Oc1ccccc1)Oc2ccccc2)OP(Oc3ccccc3)Oc4ccccc4,CC(COCC(C)OP(Oc1ccccc1)Oc2ccccc2)OP(Oc3ccccc3)Oc4ccccc4,"InChI=1/C30H32O7P2/c1-25(32-38(34-27-15-7-3-8-16-27)35-28-17-9-4-10-18-28)23-31-24-26(2)33-39(36-29-19-11-5-12-20-29)37-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3",C30H32O7P2,,,,,,XZZWOTQMUOIIFX-UHFFFAOYSA-N,,,,,,,,,,,
100.038.186,242-020-4,18135-05-2,"N,N-dimethyl-1-(trimethylsilyl)amine","N,N,1,1,1-pentamethylsilanamine",CN(C)[Si](C)(C)C,CN(C)[Si](C)(C)C,"InChI=1/C5H15NSi/c1-6(2)7(3,4)5/h1-5H3",C5H15NSi,,,,,,KAHVZNKZQFSBFW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.198,242-034-0,18147-18-7,"Dichloro(1,1-dimethylethyl)methylsilane","(1,1-dichloro-2,2-dimethylpropyl)silane",CC(C)(C)C([SiH3])(Cl)Cl,CC(C)(C)C([SiH3])(Cl)Cl,"InChI=1/C5H12Cl2Si/c1-4(2,3)5(6,7)8/h1-3,8H3",C5H12Cl2Si,,,,,,WVBFXMZKSHLATD-UHFFFAOYSA-N,,,,,,,,,,,
100.038.214,242-051-3,18167-15-2,"2,3-dihydro-3-hydroxy-2-phenyl-1H-isoindol-1-one",3-hydroxy-2-phenylisoindolin-1-one,OC1N(C(=O)c2ccccc12)c3ccccc3,OC1N(C(=O)c2ccccc12)c3ccccc3,"InChI=1/C14H11NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9,13,16H",C14H11NO2,,,,,,ZLODOCHSFJATAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.038.218,242-056-0,18171-19-2,(3-chloropropyl)dimethoxymethylsilane,"(4-chloro-1,1-dimethoxybutyl)silane",COC([SiH3])(CCCCl)OC,COC([SiH3])(CCCCl)OC,"InChI=1/C6H15ClO2Si/c1-8-6(10,9-2)4-3-5-7/h3-5H2,1-2,10H3",C6H15ClO2Si,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13827,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.218,YFSXESMVQBKQKC-UHFFFAOYSA-N,,,,,,,,,,,
100.038.219,242-057-6,18171-56-7,Chlorobis(chloromethyl)methylsilane,"[1,2-dichloro-1-(chloromethyl)ethyl]silane",[SiH3]C(Cl)(CCl)CCl,[SiH3]C(Cl)(CCl)CCl,"InChI=1/C3H7Cl3Si/c4-1-3(6,7)2-5/h1-2H2,7H3",C3H7Cl3Si,,,,,,PZMUYEAXJGYGPU-UHFFFAOYSA-N,,,,,,,,,,,
100.038.224,242-062-3,18174-13-5,"3,4,4a,5,8,8a-hexahydro-7,8a-dimethyl-3-(1-methylvinyl)naphthalen-1(2H)-one","3-isopropenyl-7,8a-dimethyl-3,4,4a,5,8,8a-hexahydronaphthalen-1(2H)-one",CC(=C)C1CC2CC=C(C)CC2(C)C(=O)C1,CC(=C)C1CC2CC=C(C)CC2(C)C(=O)C1,"InChI=1/C15H22O/c1-10(2)12-7-13-6-5-11(3)9-15(13,4)14(16)8-12/h5,12-13H,1,6-9H2,2-4H3",C15H22O,,,,,,VGHRNFJTQACVIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.574,251-247-8,32830-97-0,1-chloropentan-3-one,1-chloropentan-3-one,CCC(=O)CCCl,CCC(=O)CCCl,"InChI=1/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3",C5H9ClO,,,,,,APNSUHRNUVUCIP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.579,251-253-0,32837-36-8,N-(2-ethylhexyl)-3-oxobutyramide,N-(2-ethylhexyl)-3-oxobutanamide,CCCCC(CC)CNC(=O)CC(=O)C,CCCCC(CC)CNC(=O)CC(=O)C,"InChI=1/C12H23NO2/c1-4-6-7-11(5-2)9-13-12(15)8-10(3)14/h11H,4-9H2,1-3H3,(H,13,15)",C12H23NO2,,,,,,FVFRXXNXIQJSEB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.586,251-260-9,32852-95-2,2-(3-phenoxyphenyl)propiononitrile,2-(3-phenoxyphenyl)propanenitrile,CC(C#N)c1cccc(Oc2ccccc2)c1,CC(C#N)c1cccc(Oc2ccccc2)c1,"InChI=1/C15H13NO/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-10,12H,1H3",C15H13NO,,,,,,JSCONFOVXYGOST-UHFFFAOYSA-N,,,,,,,,,,,
100.046.588,251-263-5,32857-62-8,"(a,a,a-trifluoro-4-tolyl)acetic acid",[4-(trifluoromethyl)phenyl]acetic acid,OC(=O)Cc1ccc(cc1)C(F)(F)F,OC(=O)Cc1ccc(cc1)C(F)(F)F,"InChI=1/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)",C9H7F3O2,,,,,,HNORVZDAANCHAY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.589,251-264-0,32857-63-9,4-tert-butylphenylacetic acid,(4-tert-butylphenyl)acetic acid,CC(C)(C)c1ccc(CC(=O)O)cc1,CC(C)(C)c1ccc(CC(=O)O)cc1,"InChI=1/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)",C12H16O2,,,,,,RUAYXHSDAMWEDR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.596,251-271-9,32866-17-4,"Diammonium 4,4'-bis[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","diammonium 2,2'-ethene-1,2-diylbis{5-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[NH4+].[NH4+].Nc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(N)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[NH4+].[NH4+].Nc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(N)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C32H28N12O6S2.2H3N/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);2*1H3",C32H28N12O6S2.2H3N,,,,,,VAASJNREHNKXBF-YHPRVSEPSA-N,,,,,,,,,,,
100.046.603,251-279-2,32887-08-4,"[2S-(2a,5a,6ß)]-6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monohydrochloride","6-[(azepan-1-ylmethylene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid hydrochloride",Cl.O=C(O)[C@@H]2N3C(=O)[C@@H](N=CN1CCCCCC1)[C@H]3SC2(C)C,Cl.O=C(O)[C@@H]2N3C(=O)[C@@H](N=CN1CCCCCC1)[C@H]3SC2(C)C,"InChI=1/C15H23N3O3S.ClH/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17;/h9-11,13H,3-8H2,1-2H3,(H,20,21);1H",C15H23N3O3S.ClH,,,,,,NJFHBXJMXCUBBY-GYBQEXSMSA-N,,,,,,,,,,,
100.046.605,251-281-3,32892-89-0,"5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2,9-dicarboxamide","7,14-dioxo-5,7,12,14-tetrahydroquino[2,3-b]acridine-2,9-dicarboxamide",NC(=O)c1ccc2Nc3cc4C(=O)c5cc(ccc5Nc4cc3C(=O)c2c1)C(=O)N,NC(=O)c1ccc2Nc3cc4C(=O)c5cc(ccc5Nc4cc3C(=O)c2c1)C(=O)N,"InChI=1/C22H14N4O4/c23-21(29)9-1-3-15-11(5-9)19(27)13-8-18-14(7-17(13)25-15)20(28)12-6-10(22(24)30)2-4-16(12)26-18/h1-8H,(H2,23,29)(H2,24,30)(H,25,27)(H,26,28)",C22H14N4O4,,,,,,ATZRWFMBPNCDIO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.607,251-283-4,32899-41-5,"(S)-2,3-dihydroxypropyl palmitate","2,3-dihydroxypropyl palmitate",CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO,CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO,"InChI=1/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",C19H38O4,,,,,,QHZLMUACJMDIAE-SFHVURJKSA-N,,,,,,,,,,,
100.052.546,257-819-3,52298-01-8,"6-nitro-2H-anthra[1,2-d][1,3]oxazine-4,7,12(1H)-trione","6-nitro-2H-anthra[1,2-d][1,3]oxazine-4,7,12(1H)-trione",[O-][N+](=O)c1cc2C(=O)OCNc2c3C(=O)c4ccccc4C(=O)c13,[O-][N+](=O)c1cc2C(=O)OCNc2c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C16H8N2O6/c19-14-7-3-1-2-4-8(7)15(20)12-11(14)10(18(22)23)5-9-13(12)17-6-24-16(9)21/h1-5,17H,6H2",C16H8N2O6,,,,,,RASPFILDTJZROS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.549,257-823-5,52299-14-6,N-(3-carboxypropionyl)-L-alanyl-L-alanyl-N-(p-nitrophenyl)-L-alaninamide,N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)-L-alaninamide,O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(O)=O,O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(O)=O,"InChI=1/C19H25N5O8/c1-10(20-15(25)8-9-16(26)27)17(28)21-11(2)18(29)22-12(3)19(30)23-13-4-6-14(7-5-13)24(31)32/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,28)(H,22,29)(H,23,30)(H,26,27)",C19H25N5O8,,,,,,GVUGADOWXGKRAE-SRVKXCTJSA-N,,,,,,,,,,,
100.052.550,257-824-0,52299-20-4,2-[(hydroxymethyl)amino]-2-methylpropanol,2-[(hydroxymethyl)amino]-2-methylpropan-1-ol,CC(C)(CO)NCO,CC(C)(CO)NCO,"InChI=1/C5H13NO2/c1-5(2,3-7)6-4-8/h6-8H,3-4H2,1-2H3",C5H13NO2,,,,,,RGDPCZKNNXHAIU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.557,257-831-9,52303-93-2,Calcium divalerate,calcium dipentanoate,[Ca+2].CCCCC(=O)[O-].CCCCC(=O)[O-],[Ca+2].CCCCC(=O)[O-].CCCCC(=O)[O-],"InChI=1/2C5H10O2.Ca/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Ca,,,,,,YZLMERHFSCVBKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.059.302,265-252-8,64855-18-1,"3,3-dichloro-2,2-dimethylpropionic acid","3,3-dichloro-2,2-dimethylpropanoic acid",CC(C)(C(Cl)Cl)C(=O)O,CC(C)(C(Cl)Cl)C(=O)O,"InChI=1/C5H8Cl2O2/c1-5(2,3(6)7)4(8)9/h3H,1-2H3,(H,8,9)",C5H8Cl2O2,,,,,,BESOJICOWPJPLC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.303,265-253-3,64855-91-0,"5-oxo-DL-proline, compound with L-arginine (1:1)",5-oxo-L-proline - L-arginine (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H14N4O2.C5H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C6H14N4O2.C5H7NO3,,,,,,UYCAGRPOUWSBIQ-WOYAITHZSA-N,,,,,,,,,,,
100.059.320,265-272-7,64918-92-9,"4,5-diamino-2-bromo-1,8-dihydroxyanthraquinone","4,5-diamino-2-bromo-1,8-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(O)c(Br)cc(N)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(O)c(Br)cc(N)c3C(=O)c12,"InChI=1/C14H9BrN2O4/c15-4-3-6(17)9-11(12(4)19)14(21)10-7(18)2-1-5(16)8(10)13(9)20/h1-3,18-19H,16-17H2",C14H9BrN2O4,,,,,,OEOBNTWIEVRPDW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.817,265-817-9,65562-82-5,"8,12-dimethyltrideca-5,7,11-trien-4-one","8,12-dimethyltrideca-5,7,11-trien-4-one",C/C(C)=C\\CCC(C)=CC=CC(=O)CCC,C/C(C)=C\CCC(C)=CC=CC(=O)CCC,"InChI=1/C15H24O/c1-5-8-15(16)12-7-11-14(4)10-6-9-13(2)3/h7,9,11-12H,5-6,8,10H2,1-4H3",C15H24O,,,,,,WSEVLUFENBPOSN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.818,265-818-4,65571-68-8,Lofemizole,4-(4-chlorophenyl)-5-methyl-1H-imidazole,Cc1[nH]cnc1c2ccc(Cl)cc2,Cc1[nH]cnc1c2ccc(Cl)cc2,"InChI=1/C10H9ClN2/c1-7-10(13-6-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)",C10H9ClN2,,,,,,MBKWNJVQSFBLQI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.820,265-821-0,65573-05-9,tert-butyl ethyl thiodicarbonate,O-tert-butyl S-ethyl thiodicarbonate,CCSC(=O)OC(=O)OC(C)(C)C,CCSC(=O)OC(=O)OC(C)(C)C,"InChI=1/C8H14O4S/c1-5-13-7(10)11-6(9)12-8(2,3)4/h5H2,1-4H3",C8H14O3S2,,,,,,SCDYJZRCPTZSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.825,265-826-8,65575-73-7,(6R-trans)-1-[[2-carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium chloride,1-({2-carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)pyridinium chloride,[Cl-].OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N13,[Cl-].OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N13,"InChI=1/C19H17N3O4S2.ClH/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;/h1-8,15,18H,9-11H2,(H-,20,23,25,26);1H",C19H18N3O4S2.Cl,,,,,,BULLQCVZZDGKEM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.829,265-831-5,65578-65-6,2-cyclopentylhydroquinone,"2-cyclopentylbenzene-1,4-diol",Oc1ccc(O)c(c1)C2CCCC2,Oc1ccc(O)c(c1)C2CCCC2,"InChI=1/C11H14O2/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,12-13H,1-4H2",C11H14O2,,,,,,NNTRLPYRNXLYPB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.838,265-840-4,65593-73-9,Methyl (cyclohexyloxy)acetate,methyl (cyclohexyloxy)acetate,COC(=O)COC1CCCCC1,COC(=O)COC1CCCCC1,"InChI=1/C9H16O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h8H,2-7H2,1H3",C9H16O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16533,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.838,IPXUIDULMPWCJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.845,265-848-8,65639-43-2,"6,7,8,9,10,11,17,18-octahydro-5H-dibenzo[e,n][1,4,8,12]dioxadiazacyclopentadecine","6,7,8,9,10,11,17,18-octahydro-5H-dibenzo[e,n][1,4,8,12]dioxadiazacyclopentadecine",C1CNCc2ccccc2OCCOc3ccccc3CNC1,C1CNCc2ccccc2OCCOc3ccccc3CNC1,"InChI=1/C19H24N2O2/c1-3-8-18-16(6-1)14-20-10-5-11-21-15-17-7-2-4-9-19(17)23-13-12-22-18/h1-4,6-9,20-21H,5,10-15H2",C19H24N2O2,,,,,,CHCYHXIUMOKQRL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.853,265-857-7,65652-33-7,Hexyl 2-methylisocrotonate,hexyl 2-methylbut-2-enoate,CCCCCCOC(=O)\\C(=C/C)\\C,CCCCCCOC(=O)\C(=C/C)\C,"InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3",C11H20O2,,,,,,JTCIUOKKVACNCK-YHYXMXQVSA-N,,,,,,,,,,,
100.059.856,265-860-3,65652-42-8,Dichloro(benzyl)benzene,"1-benzyl-2,3-dichlorobenzene",Clc1cccc(Cc2ccccc2)c1Cl,Clc1cccc(Cc2ccccc2)c1Cl,"InChI=1/C13H10Cl2/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h1-8H,9H2",C13H10Cl2,,,,,,MRAYEYNEXUTTBB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.858,265-862-4,65652-44-0,"a6-[(tert-butylamino)methyl]-3-hydroxypyridine-2,6-dimethanol monoacetate",6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol acetate (salt),CC(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,CC(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,"InChI=1/C12H20N2O3.C2H4O2/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;1-2(3)4/h4-5,11,13,15-17H,6-7H2,1-3H3;1H3,(H,3,4)",C12H20N2O3.C2H4O2,,,,,,QSXMZJGGEWYVCN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.712,266-804-0,67634-01-9,Allyl (2-methylbutoxy)acetate,allyl (2-methylbutoxy)acetate,CCC(C)COCC(=O)OCC=C,CCC(C)COCC(=O)OCC=C,"InChI=1/C10H18O3/c1-4-6-13-10(11)8-12-7-9(3)5-2/h4,9H,1,5-8H2,2-3H3",C10H18O3,,,,,,GWFJURKHPPFFMD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.713,266-805-6,67634-02-0,"[2,2-bis[(3,7-dimethyl-2,6-octadienyl)oxy]ethyl]benzene","{2,2-bis[(3,7-dimethylocta-2,6-dien-1-yl)oxy]ethyl}benzene",C/C(C)=C\\CCC(C)=CCOC(OCC=C(C)CC\\C=C(/C)C)Cc1ccccc1,C/C(C)=C\CCC(C)=CCOC(OCC=C(C)CC\C=C(/C)C)Cc1ccccc1,"InChI=1/C28H42O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-19,28H,10-11,14-15,20-22H2,1-6H3",C28H42O2,,,,,,KJTMVMCIPAJMOH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.623,252-401-7,35153-15-2,(Z)-tetradec-9-enol,tetradec-9-en-1-ol,CCCC\\C=C/CCCCCCCCO,CCCC\C=C/CCCCCCCCO,"InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,15H,2-4,7-14H2,1H3",C14H28O,,,,,,GSAAJQNJNPBBSX-WAYWQWQTSA-N,,,,,,,,,,,
100.047.624,252-402-2,35153-18-5,(E)-tetradec-11-enol,tetradec-11-en-1-ol,CC\\C=C\\CCCCCCCCCCO,CC\C=C\CCCCCCCCCCO,"InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,15H,2,5-14H2,1H3",C14H28O,,,,,,YGHAIPJLMYTNAI-ONEGZZNKSA-N,,,,,,,,,,,
100.060.095,266-126-5,66085-16-3,6-isopropoxy-1H-purine,6-isopropoxy-1H-purine,CC(C)Oc1[nH]cnc2ncnc12,CC(C)Oc1[nH]cnc2ncnc12,"InChI=1/C8H10N4O/c1-5(2)13-8-6-7(10-3-9-6)11-4-12-8/h3-5H,1-2H3,(H,9,10,11,12)",C8H10N4O,,,,,,NXBUZBZGNABKHN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.099,266-130-7,66085-69-6,"4,4'-[(phenylmethylene)bis[(2-methyl-p-phenylene)azo]]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one]","4,4'-{(phenylmethylene)bis[(3-methyl-4,1-phenylene)diazene-2,1-diyl]}bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)",C/C7=N/N(c1ccccc1)C(=O)C7N=Nc2ccc(c(C)c2)C(c3ccccc3)c4ccc(cc4C)N=NC6C(\\C)=N/N(c5ccccc5)C6=O,C/C7=N/N(c1ccccc1)C(=O)C7N=Nc2ccc(c(C)c2)C(c3ccccc3)c4ccc(cc4C)N=NC6C(\C)=N/N(c5ccccc5)C6=O,"InChI=1/C41H36N8O2/c1-26-24-31(42-44-38-28(3)46-48(40(38)50)33-16-10-6-11-17-33)20-22-35(26)37(30-14-8-5-9-15-30)36-23-21-32(25-27(36)2)43-45-39-29(4)47-49(41(39)51)34-18-12-7-13-19-34/h5-25,37-39H,1-4H3",C41H36N8O2,,,,,,JXOIXQXLVIJCPN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.108,266-140-1,66096-08-0,"2-[2-[(3-ethyl-5-methylbenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium","3-(2-{2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1ccc(C)cc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1ccc(C)cc1N2CC,"InChI=1/C27H32N2O3S3/c1-6-21(16-26-28(7-2)22-13-18(3)9-10-24(22)33-26)17-27-29(11-8-12-35(30,31)32)23-14-19(4)20(5)15-25(23)34-27/h9-10,13-17H,6-8,11-12H2,1-5H3",C27H32N2O3S3,,,,,,GUNWUUGCMQOMAX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.753,262-449-0,60833-82-1,(S)-4-[[5-guanidino-2-(benzoylamino)-1-oxopentyl]amino]benzoic acid,4-[(N~2~-benzoyl-L-arginyl)amino]benzoic acid,NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)O,NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)O,"InChI=1/C20H23N5O4/c21-20(22)23-12-4-7-16(25-17(26)13-5-2-1-3-6-13)18(27)24-15-10-8-14(9-11-15)19(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,27)(H,25,26)(H,28,29)(H4,21,22,23)",C20H23N5O4,,,,,,TUZAVLAUJHUFLA-INIZCTEOSA-N,,,,,,,,,,,
100.056.754,262-450-6,60834-30-2,"5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride","5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine hydrochloride",Cl.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,Cl.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,"InChI=1/C14H18N4O3.ClH/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;/h5-7H,4H2,1-3H3,(H4,15,16,17,18);1H",C14H18N4O3.ClH,,,,,,YLCCEQZHUHUYPA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.770,262-467-9,60840-87-1,Sodium (Z)-2-[(1-oxo-9-octadecenyl)amino]ethanesulphonate,sodium 2-(oleoylamino)ethanesulfonate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)NCCS(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)NCCS(=O)(=O)[O-],"InChI=1/C20H39NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25;/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25);/q;+1/p-1",C20H39NO4S.Na,,,,,,SIFNSAPDAWMCFK-KVVVOXFISA-M,,,,,,,,,,,
100.056.771,262-468-4,60845-81-0,Ethyl 2-amino-a-(hydroxyimino)thiazol-4-acetate,"ethyl (2-amino-1,3-thiazol-4-yl)(hydroxyimino)acetate",ON=C(c1csc(N)n1)C(=O)OCC,ON=C(c1csc(N)n1)C(=O)OCC,"InChI=1/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)",C7H9N3O3S,,,,,,BTEPYCPXBCCSDL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.774,262-472-6,60848-32-0,1-methyl-4-(2-methylpropyl)naphthalene,1-isobutyl-4-methylnaphthalene,CC(C)Cc1ccc(C)c2ccccc12,CC(C)Cc1ccc(C)c2ccccc12,"InChI=1/C15H18/c1-11(2)10-13-9-8-12(3)14-6-4-5-7-15(13)14/h4-9,11H,10H2,1-3H3",C15H18,,,,,,ZIVPLQNIQDIJBX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.775,262-473-1,60848-34-2,1-methyl-4-(1-methylpropyl)naphthalene,1-sec-butyl-4-methylnaphthalene,CCC(C)c1ccc(C)c2ccccc12,CCC(C)c1ccc(C)c2ccccc12,"InChI=1/C15H18/c1-4-11(2)14-10-9-12(3)13-7-5-6-8-15(13)14/h5-11H,4H2,1-3H3",C15H18,,,,,,ZQTLICGKKLFBOM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.781,262-479-4,60864-40-6,"9-bromo-6ß-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","9-bromo-6-fluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]12C)OC(=O)C,"InChI=1/C25H30BrFO7/c1-13(28)33-12-21(32)24(34-14(2)29)8-6-16-17-10-19(27)18-9-15(30)5-7-22(18,3)25(17,26)20(31)11-23(16,24)4/h5,7,9,16-17,19-20,31H,6,8,10-12H2,1-4H3",C25H30BrFO7,,,,,,KYISBKWLCVBYCW-CYBFZDFUSA-N,,,,,,,,,,,
100.038.231,242-070-7,18181-80-1,Bromopropylate,isopropyl bis(4-bromophenyl)(hydroxy)acetate,CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2,CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2,"InChI=1/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3",C17H16Br2O3,,,,,,FOANIXZHAMJWOI-UHFFFAOYSA-N,,,,,,,,,,,
100.038.233,242-072-8,18186-97-5,"1,1,3,3-tetramethoxy-1,3-dimethyldisiloxane","1,1,3,3-tetramethoxy-1,3-dimethyldisiloxane",CO[Si](C)(OC)O[Si](C)(OC)OC,CO[Si](C)(OC)O[Si](C)(OC)OC,"InChI=1/C6H18O5Si2/c1-7-12(5,8-2)11-13(6,9-3)10-4/h1-6H3",C6H18O5Si2,,,,,,JWVHPGDCFVOYMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.968,234-078-4,10525-17-4,Furfuryl acrylate,2-furylmethyl acrylate,C=CC(=O)OCc1occc1,C=CC(=O)OCc1occc1,"InChI=1/C8H8O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2-5H,1,6H2",C8H8O3,,,,,,BHPLCUDMENJIRS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.969,234-080-5,10525-22-1,25-hydroxycholest-5-en-3ß-yl acetate,25-hydroxycholest-5-en-3-yl acetate,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C29H48O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h9,19,22-26,31H,7-8,10-18H2,1-6H3",C29H48O3,,,,,,DSBZSDSUGSYUHV-HSIBUNQISA-N,,,,,,,,,,,
100.030.974,234-085-2,10527-11-4,"3-(4-hydroxyphenyl)-1,1,3-trimethylindan-5-ol","3-(4-hydroxyphenyl)-1,1,3-trimethylindan-5-ol",CC1(C)CC(C)(c2ccc(O)cc2)c3cc(O)ccc13,CC1(C)CC(C)(c2ccc(O)cc2)c3cc(O)ccc13,"InChI=1/C18H20O2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17/h4-10,19-20H,11H2,1-3H3",C18H20O2,,,,,,TUJHKTMBIVIOOV-UHFFFAOYSA-N,,,,,,,,,,,
100.030.977,234-088-9,10528-54-8,"2,6-bis(hydroxyimino)cyclohexan-1-one","cyclohexane-1,2,3-trione 1,3-dioxime",O=C1C(CCCC1=NO)=NO,O=C1C(CCCC1=NO)=NO,"InChI=1/C6H8N2O3/c9-6-4(7-10)2-1-3-5(6)8-11/h10-11H,1-3H2",C6H8N2O3,,,,,,MLAWCOBYMMKWMA-UHFFFAOYSA-N,,,,,,,,,,,
100.030.978,234-089-4,10528-64-0,4-(4-isopropylphenyl)butan-2-one,4-(4-isopropylphenyl)butan-2-one,CC(C)c1ccc(CCC(=O)C)cc1,CC(C)c1ccc(CCC(=O)C)cc1,"InChI=1/C13H18O/c1-10(2)13-8-6-12(7-9-13)5-4-11(3)14/h6-10H,4-5H2,1-3H3",C13H18O,,,,,,URPGTYOPLRABIL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.981,234-093-6,10531-13-2,Cyanomethyl benzenesulphonate,cyanomethyl benzenesulfonate,O=S(=O)(OCC#N)c1ccccc1,O=S(=O)(OCC#N)c1ccccc1,"InChI=1/C8H7NO3S/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,7H2",C8H7NO3S,,,,,,SSOVHFPWMPUQOS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.988,234-100-2,10534-37-9,4-[4-(isopropyl)cyclohexyl]-4-methylpentan-2-one,4-(4-isopropylcyclohexyl)-4-methylpentan-2-one,CC(C)C1CCC(CC1)C(C)(C)CC(=O)C,CC(C)C1CCC(CC1)C(C)(C)CC(=O)C,"InChI=1/C15H28O/c1-11(2)13-6-8-14(9-7-13)15(4,5)10-12(3)16/h11,13-14H,6-10H2,1-5H3",C15H28O,,,,,,RLPJJOKZQQYRCM-UHFFFAOYSA-N,,,,,,,,,,,
100.030.992,234-104-4,10534-92-6,Sodium 7-benzamido-4-hydroxynaphthalene-2-sulphonate,sodium 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonate,[Na+].Oc1cc(cc2cc(NC(=O)c3ccccc3)ccc12)S(=O)(=O)[O-],[Na+].Oc1cc(cc2cc(NC(=O)c3ccccc3)ccc12)S(=O)(=O)[O-],"InChI=1/C17H13NO5S.Na/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11;/h1-10,19H,(H,18,20)(H,21,22,23);/q;+1/p-1",C17H13NO5S.Na,,,,,,KGBXWJYGPYGDEG-UHFFFAOYSA-M,,,,,,,,,,,
100.030.999,234-112-8,10538-20-2,Sodium hydrogen sulphonatopalmitate,sodium hydrogen 2-sulfonatohexadecanoate,[Na+].CCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H32O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(17)18)22(19,20)21;/h15H,2-14H2,1H3,(H,17,18)(H,19,20,21);/q;+1/p-2",C16H32O5S.Na,,,,,,WWJAQYAUWBSHAP-UHFFFAOYSA-L,,,,,,,,,,,
100.034.831,238-330-4,14359-20-7,"2,2'-[(2,2',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-o-tolyl)-3-oxobutyramide]","2,2'-[(2,2',5,5'-tetrachlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(4-chloro-2-methylphenyl)-3-oxobutanamide]",Clc2cc(c(Cl)cc2N=NC(C(C)=O)C(=O)Nc1ccc(Cl)cc1C)c4cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(Cl)cc3C)cc4Cl,Clc2cc(c(Cl)cc2N=NC(C(C)=O)C(=O)Nc1ccc(Cl)cc1C)c4cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(Cl)cc3C)cc4Cl,"InChI=1/C34H26Cl6N6O4/c1-15-9-19(35)5-7-27(15)41-33(49)31(17(3)47)45-43-29-13-23(37)21(11-25(29)39)22-12-26(40)30(14-24(22)38)44-46-32(18(4)48)34(50)42-28-8-6-20(36)10-16(28)2/h5-14,31-32H,1-4H3,(H,41,49)(H,42,50)",C34H26Cl6N6O4,,,,,,HSHHXSNAFDZIAR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.835,238-335-1,14362-31-3,Chlorcyclizine hydrochloride,1-[(4-chlorophenyl)(phenyl)methyl]-4-methylpiperazine hydrochloride,Cl.CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,Cl.CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,"InChI=1/C18H21ClN2.ClH/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16;/h2-10,18H,11-14H2,1H3;1H",C18H21ClN2.ClH,,,,,,MSIJLVMSKDXAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.836,238-336-7,14362-73-3,"(3aa,4a,5a,7a,7aa)]-octahydro-4,7-methano-1H-inden-5-yl acetate","octahydro-1H-4,7-methanoinden-5-yl acetate",CC(=O)OC1CC2CC1C3CCCC23,CC(=O)OC1CC2CC1C3CCCC23,"InChI=1/C12H18O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12H,2-6H2,1H3",C12H18O2,,,,,,YKFHIJHJBUDXFP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.578,257-854-4,52333-30-9,"Disodium 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxysulphonyl-2,1-phenyleneazo)]bis[6-amino-4-hydroxynaphthalene-2-sulphonate]","disodium 5,5'-[propane-2,2-diylbis(4,1-phenyleneoxysulfonyl-2,1-phenylenediazene-2,1-diyl)]bis(6-amino-4-hydroxynaphthalene-2-sulfonate)",[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)C(C)(C)c5ccc(OS(=O)(=O)c4ccccc4N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)cc5)c8ccccc8N=Nc6c7c(O)cc(cc7ccc6N)S([O-])(=O)=O,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)C(C)(C)c5ccc(OS(=O)(=O)c4ccccc4N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)cc5)c8ccccc8N=Nc6c7c(O)cc(cc7ccc6N)S([O-])(=O)=O,"InChI=1/C47H38N6O14S4.2Na/c1-47(2,29-13-17-31(18-14-29)66-70(62,63)41-9-5-3-7-37(41)50-52-45-35(48)21-11-27-23-33(68(56,57)58)25-39(54)43(27)45)30-15-19-32(20-16-30)67-71(64,65)42-10-6-4-8-38(42)51-53-46-36(49)22-12-28-24-34(69(59,60)61)26-40(55)44(28)46;;/h3-26,54-55H,48-49H2,1-2H3,(H,56,57,58)(H,59,60,61);;/q;2*+1/p-2",C47H38N6O14S4.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16886,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.578,RZPXQVBZMHRBNY-UHFFFAOYSA-L,,,,,,,,,,,
100.061.653,267-838-9,67939-47-3,"2,3-dichloro-5,8-bis[(5,6,7,8-tetrahydro-2-naphthyl)amino]anthraquinone","6,7-dichloro-1,4-bis(5,6,7,8-tetrahydronaphthalen-2-ylamino)-9,10-anthraquinone",Clc1cc2C(=O)c3c(Nc4ccc5CCCCc5c4)ccc(Nc6ccc7CCCCc7c6)c3C(=O)c2cc1Cl,Clc1cc2C(=O)c3c(Nc4ccc5CCCCc5c4)ccc(Nc6ccc7CCCCc7c6)c3C(=O)c2cc1Cl,"InChI=1/C34H28Cl2N2O2/c35-27-17-25-26(18-28(27)36)34(40)32-30(38-24-12-10-20-6-2-4-8-22(20)16-24)14-13-29(31(32)33(25)39)37-23-11-9-19-5-1-3-7-21(19)15-23/h9-18,37-38H,1-8H2",C34H28Cl2N2O2,,,,,,VOSPUXNTNRRTKD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.675,267-863-5,67939-90-6,"N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-[2-(phosphonooxy)ethyl]pentane-1-sulphonamide",2-{ethyl[(undecafluoropentyl)sulfonyl]amino}ethyl dihydrogen phosphate,CCN(CCOP(=O)(O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H11F11NO6PS/c1-2-21(3-4-27-28(22,23)24)29(25,26)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h2-4H2,1H3,(H2,22,23,24)",C9H11F11NO6PS,,,,,,PSNGOBTXZSFMLP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.685,267-874-5,67940-01-6,N-[4-methoxy-3-(methylamino)phenyl]acetamide,N-[4-methoxy-3-(methylamino)phenyl]acetamide,CNc1cc(NC(=O)C)ccc1OC,CNc1cc(NC(=O)C)ccc1OC,"InChI=1/C10H14N2O2/c1-7(13)12-8-4-5-10(14-3)9(6-8)11-2/h4-6,11H,1-3H3,(H,12,13)",C10H14N2O2,,,,,,KHWKGYUMZHRENM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.686,267-875-0,67940-02-7,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide monohydrochloride","N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide hydrochloride",Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H13F15N2O2S.ClH/c1-29(2)5-3-4-28-32(30,31)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25;/h28H,3-5H2,1-2H3;1H",C12H13F15N2O2S.ClH,,,,,,OIVDLFNGOVBNFE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.688,267-877-1,67947-19-7,"Dimethyl hydrogen phosphate, compound with 2-aminoethanol (1:1)",dimethyl hydrogen phosphate - 2-aminoethanol (1:1),COP(=O)(O)OC.NCCO,COP(=O)(O)OC.NCCO,"InChI=1/C2H7NO.C2H7O4P/c3-1-2-4;1-5-7(3,4)6-2/h4H,1-3H2;1-2H3,(H,3,4)",C2H7NO.C2H7O4P,,,,,,YDYLGKFXGZBHSK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.377,265-334-3,65059-45-2,"4,11-diamino-2-[3-(2-methoxyethoxy)propyl]-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone","4,11-diamino-2-[3-(2-methoxyethoxy)propyl]-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",COCCOCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,COCCOCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C22H21N3O6/c1-30-9-10-31-8-4-7-25-21(28)15-16(22(25)29)18(24)14-13(17(15)23)19(26)11-5-2-3-6-12(11)20(14)27/h2-3,5-6H,4,7-10,23-24H2,1H3",C22H21N3O6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17327,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.377,SOYBSGQXDYYMDH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.378,265-335-9,65059-52-1,"p-[4-[5-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]penta-1,3-dienyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(3-methyl-4-{5-[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC=CC=CC3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C4=O,OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC=CC=CC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C4=O,"InChI=1/C25H22N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h3-15,22H,1-2H3,(H,32,33,34)(H,35,36,37)",C25H22N4O8S2,,,,,,ZYEKPKUEHLUSET-UHFFFAOYSA-N,,,,,,,,,,,
100.059.383,265-341-1,65059-64-5,Benzylbis(2-hydroxypropyl)octadecenylammonium chloride,"N-benzyl-N,N-bis(2-hydroxypropyl)octadec-1-en-1-aminium chloride",[Cl-].CC(O)C[N+](CC(C)O)(Cc1ccccc1)C=CCCCCCCCCCCCCCCCC,[Cl-].CC(O)C[N+](CC(C)O)(Cc1ccccc1)C=CCCCCCCCCCCCCCCCC,"InChI=1/C31H56NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h19-25,29-30,33-34H,4-18,26-28H2,1-3H3;1H/q+1;/p-1",C31H56NO2.Cl,,,,,,DDYHZEVGSWCEFC-UHFFFAOYSA-M,,,,,,,,,,,
100.060.716,266-808-2,67634-05-3,"2,4,6-trimethylcyclohexylmethyl acetate","(2,4,6-trimethylcyclohexyl)methyl acetate",CC1CC(C)C(COC(=O)C)C(C)C1,CC1CC(C)C(COC(=O)C)C(C)C1,"InChI=1/C12H22O2/c1-8-5-9(2)12(10(3)6-8)7-14-11(4)13/h8-10,12H,5-7H2,1-4H3",C12H22O2,,,,,,OZBOTLMHFMZTGA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.722,266-815-0,67634-11-1,"2-(1,1-dimethylethyl)-4-methylcyclohexan-1-ol",2-tert-butyl-4-methylcyclohexanol,CC1CCC(O)C(C1)C(C)(C)C,CC1CCC(O)C(C1)C(C)(C)C,"InChI=1/C11H22O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3",C11H22O,,,,,,OOPHUQPRWUXYDI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.727,266-820-8,67634-16-6,"3,5-dimethylcyclohexene-1-methanol","(3,5-dimethylcyclohex-1-en-1-yl)methanol",CC1CC(C)C=C(CO)C1,CC1CC(C)C=C(CO)C1,"InChI=1/C9H16O/c1-7-3-8(2)5-9(4-7)6-10/h4,7-8,10H,3,5-6H2,1-2H3",C9H16O,,,,,,UCPJPIZMBYIXQC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.728,266-821-3,67634-17-7,"2,4-dimethylcyclohex-3-ene-1-methanol","(2,4-dimethylcyclohex-3-en-1-yl)methanol",CC1C=C(C)CCC1CO,CC1C=C(C)CCC1CO,"InChI=1/C9H16O/c1-7-3-4-9(6-10)8(2)5-7/h5,8-10H,3-4,6H2,1-2H3",C9H16O,,,,,,XGRCZWYTJSFHET-UHFFFAOYSA-N,,,,,,,,,,,
100.060.734,266-828-1,67634-23-5,"4-methyl-2-(1-phenylethyl)-1,3-dioxolane","4-methyl-2-(1-phenylethyl)-1,3-dioxolane",CC(C1OCC(C)O1)c2ccccc2,CC(C1OCC(C)O1)c2ccccc2,"InChI=1/C12H16O2/c1-9-8-13-12(14-9)10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3",C12H16O2,,,,,,KHLVXMUGPANNQD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.735,266-829-7,67634-24-6,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl propionate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl propionate",CCC(=O)OC1CC2CC1C3C=CCC23,CCC(=O)OC1CC2CC1C3C=CCC23,"InChI=1/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3,5,8-12H,2,4,6-7H2,1H3",C13H18O2,,,,,,ZPFJBPIFMMENKC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.738,266-832-3,67634-31-5,Bis(cyclopentenyl) ether,"1,1'-oxydicyclopentene",C1CC=C(C1)OC2=CCCC2,C1CC=C(C1)OC2=CCCC2,"InChI=1/C10H14O/c1-2-6-9(5-1)11-10-7-3-4-8-10/h5,7H,1-4,6,8H2",C10H14O,,,,,,GYMSGMABTOEEAF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.745,266-840-7,67656-24-0,Sodium 2-butoxyethyl sulphate,sodium 2-butoxyethyl sulfate,[Na+].CCCCOCCOS(=O)(=O)[O-],[Na+].CCCCOCCOS(=O)(=O)[O-],"InChI=1/C6H14O5S.Na/c1-2-3-4-10-5-6-11-12(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1",C6H14O5S.Na,,,,,,KSEOMPZAMUMZBB-UHFFFAOYSA-M,,,,,,,,,,,
100.057.913,263-724-8,62778-13-6,"N,N'-bis[3-(dimethylamino)propyl]dithiooxamide","N,N'-bis{[3-(dimethylamino)propyl]disulfanyl}ethanediamide",CN(C)CCCSSNC(=O)C(=O)NSSCCCN(C)C,CN(C)CCCSSNC(=O)C(=O)NSSCCCN(C)C,"InChI=1/C12H26N4O2S4/c1-15(2)7-5-9-19-21-13-11(17)12(18)14-22-20-10-6-8-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)",C12H26N4S2,,,,,,BCXSNULCPMAWQV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.334,265-287-9,64952-97-2,Latamoxef,7-{[carboxy(4-hydroxyphenyl)acetyl]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C,CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C,"InChI=1/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)",C20H20N6O9S,,,,,,JWCSIUVGFCSJCK-CAVRMKNVSA-N,,,,,,,,,,,
100.059.337,265-291-0,64963-01-5,N-[N-[N-(N-L-tyrosyl-D-alanyl)glycyl]-L-phenylalanyl]-L-leucine,L-tyrosyl-D-alanylglycylphenylalanyl-L-leucine,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O,"InChI=1/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)",C29H39N5O7,,,,,,ZHUJMSMQIPIPTF-JMBSJVKXSA-N,,,,,,,,,,,
100.059.338,265-292-6,64965-91-9,"5,7-dimethylbenzofuran","5,7-dimethyl-1-benzofuran",Cc1cc(C)c2occc2c1,Cc1cc(C)c2occc2c1,"InChI=1/C10H10O/c1-7-5-8(2)10-9(6-7)3-4-11-10/h3-6H,1-2H3",C10H10O,,,,,,VWFSSXIIBGOKGR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.341,265-295-2,64972-19-6,Sodium N-(2-carboxyethyl)-N-[3-(decyloxy)propyl]-ß-alaninate,sodium 3-{(2-carboxyethyl)[3-(decyloxy)propyl]amino}propanoate,[Na+].CCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-],[Na+].CCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-],"InChI=1/C19H37NO5.Na/c1-2-3-4-5-6-7-8-9-16-25-17-10-13-20(14-11-18(21)22)15-12-19(23)24;/h2-17H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1",C19H37NO5.Na,,,,,,DQINEZCYJSFZBL-UHFFFAOYSA-M,,,,,,,,,,,
100.059.342,265-296-8,64973-06-4,Arsenic bromide,arsenic(3+) tribromide,[Br-].[Br-].[Br-].[AsH6+3],[Br-].[Br-].[Br-].[AsH6+3],InChI=1/AsH5.3BrH/h1H5;3*1H/q+3;;;/p-3,-,,,,,,UGMZILZGJASMSP-UHFFFAOYSA-K,,,,,,,,,,,
100.056.783,262-482-0,60864-42-8,"9,11ß-dichloro-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)","9,11-dichloro-6-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,"InChI=1/C26H31Cl2FO6/c1-13-8-17-18-10-20(29)19-9-16(32)6-7-23(19,4)25(18,28)21(27)11-24(17,5)26(13,35-15(3)31)22(33)12-34-14(2)30/h6-7,9,13,17-18,20-21H,8,10-12H2,1-5H3",C26H31Cl2FO6,,,,,,BCHYZLWTKAJUGC-HGZSCFKZSA-N,,,,,,,,,,,
100.056.788,262-487-8,60864-47-3,"6ß,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)","6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,"InChI=1/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3",C26H32F2O7,,,,,,BOBLHFUVNSFZPJ-HGZSCFKZSA-N,,,,,,,,,,,
100.046.522,251-190-9,32742-88-4,"20-(4-octylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol","20-(4-octylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol",CCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,CCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,"InChI=1/C28H50O8/c1-2-3-4-5-6-7-8-27-9-11-28(12-10-27)36-26-25-35-24-23-34-22-21-33-20-19-32-18-17-31-16-15-30-14-13-29/h9-12,29H,2-8,13-26H2,1H3",C28H50O8,,,,,,IZCAZGDGLZWLNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.523,251-191-4,32747-18-5,Cytidine sulphate,cytidine sulfate,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O.OS(=O)(=O)O,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O.OS(=O)(=O)O,"InChI=1/C9H13N3O5.H2O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;1-5(2,3)4/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);(H2,1,2,3,4)",C9H13N3O5.xH2O4S,,,,,,SYPYJHGPUCBHLU-IAIGYFSYSA-N,,,,,,,,,,,
100.046.527,251-196-1,32752-10-6,Potassium 6-(p-toluidino)naphthalene-2-sulphonate,potassium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate,[K+].Cc1ccc(Nc2ccc3cc(ccc3c2)S(=O)(=O)[O-])cc1,[K+].Cc1ccc(Nc2ccc3cc(ccc3c2)S(=O)(=O)[O-])cc1,"InChI=1/C17H15NO3S.K/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16;/h2-11,18H,1H3,(H,19,20,21);/q;+1/p-1",C17H15NO3S.K,,,,,,GVDCHDBOXJUSDZ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.538,251-208-5,32776-56-0,"Chloromethyl 2,2-dichloro-1,1,2-trifluoroethyl ether","1,1-dichloro-2-(chloromethoxy)-1,2,2-trifluoroethane",FC(Cl)(Cl)C(F)(F)OCCl,FC(Cl)(Cl)C(F)(F)OCCl,"InChI=1/C3H2Cl3F3O/c4-1-10-3(8,9)2(5,6)7/h1H2",C3H2Cl3F3O,,,,,,NHUGIBLDSYCOAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.543,251-213-2,32783-03-2,"5-chloro-2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","5-chloro-2-(2-{4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CCN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)c(C)c1,[Cl-].CCN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)c(C)c1,"InChI=1/C25H29ClN3.ClH/c1-6-29(15-7-14-27)21-11-8-19(18(2)16-21)9-13-24-25(3,4)22-17-20(26)10-12-23(22)28(24)5;/h8-13,16-17H,6-7,15H2,1-5H3;1H/q+1;/p-1",C25H29ClN3.Cl,,,,,,WVCKTHFKVZTZHI-UHFFFAOYSA-M,,,,,,,,,,,
100.046.546,251-216-9,32785-08-3,(a-methoxybenzyl)oxirane,2-[methoxy(phenyl)methyl]oxirane,COC(C1CO1)c2ccccc2,COC(C1CO1)c2ccccc2,"InChI=1/C10H12O2/c1-11-10(9-7-12-9)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3",C10H12O2,,,,,,QUJNFKZHJQYMOM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.547,251-217-4,32791-31-4,"2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-butenal","2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal",CC1(C)CCCC(\\C)=C1\\C=CC(C)C=O,CC1(C)CCCC(\C)=C1\C=CC(C)C=O,"InChI=1/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7-8,10-11H,5-6,9H2,1-4H3",C14H22O,,,,,,HVDGAAPQCCUWDO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.556,251-227-9,32803-39-7,"2,5,9-trimethyl-4,9-decadienal","2,5,9-trimethyldeca-4,9-dienal",CC(=C)CCCC(C)=CCC(C)C=O,CC(=C)CCCC(C)=CCC(C)C=O,"InChI=1/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h8,10,13H,1,5-7,9H2,2-4H3",C13H22O,,,,,,MINJGYRWHNAENM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.557,251-228-4,32804-77-6,2-ethoxyethyl cyanoacetate,2-ethoxyethyl cyanoacetate,CCOCCOC(=O)CC#N,CCOCCOC(=O)CC#N,"InChI=1/C7H11NO3/c1-2-10-5-6-11-7(9)3-4-8/h2-3,5-6H2,1H3",C7H11NO3,,,,,,UMCLCZMPTREESK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.558,251-230-5,32807-28-6,Methyl 4-chloro-3-oxobutyrate,methyl 4-chloro-3-oxobutanoate,COC(=O)CC(=O)CCl,COC(=O)CC(=O)CCl,"InChI=1/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3",C5H7ClO3,,,,,,HFLMYYLFSNEOOT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.560,251-232-6,32808-53-0,Calcium 3-chloro-4-cyclohexyl-<U+03B3>-oxobenzenebutyrate,calcium bis[4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate],[Ca+2].[O-]C(=O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1.[O-]C(=O)CCC(=O)c3ccc(C4CCCCC4)c(Cl)c3,[Ca+2].[O-]C(=O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1.[O-]C(=O)CCC(=O)c3ccc(C4CCCCC4)c(Cl)c3,"InChI=1/2C16H19ClO3.Ca/c2*17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11;/h2*6-7,10-11H,1-5,8-9H2,(H,19,20);/q;;+2/p-2",C16H19ClO3.1/2Ca,,,,,,FKJKZQUQHXSBHB-UHFFFAOYSA-L,,,,,,,,,,,
100.046.564,251-236-8,32815-92-2,"2,2,4-trimethylpentane-1,3-diyl dipropionate","2,2,4-trimethylpentane-1,3-diyl dipropanoate",CCC(=O)OCC(C)(C)C(OC(=O)CC)C(C)C,CCC(=O)OCC(C)(C)C(OC(=O)CC)C(C)C,"InChI=1/C14H26O4/c1-7-11(15)17-9-14(5,6)13(10(3)4)18-12(16)8-2/h10,13H,7-9H2,1-6H3",C14H26O4,,,,,,BBXVZOFESFUKEH-UHFFFAOYSA-N,,,,,,,,,,,
100.034.842,238-343-5,14371-82-5,2-nitro-4-(trifluoromethyl)benzenethiol,2-nitro-4-(trifluoromethyl)benzenethiol,[O-][N+](=O)c1cc(ccc1S)C(F)(F)F,[O-][N+](=O)c1cc(ccc1S)C(F)(F)F,"InChI=1/C7H4F3NO2S/c8-7(9,10)4-1-2-6(14)5(3-4)11(12)13/h1-3,14H",C7H4F3NO2S,,,,,,HUJMWBOFGAQSMR-UHFFFAOYSA-N,,,,,,,,,,,
100.034.846,238-347-7,14374-92-6,2-prop-1-enyl-p-cymene,4-isopropyl-1-methyl-2-prop-1-en-1-ylbenzene,CC=Cc1cc(ccc1C)C(C)C,CC=Cc1cc(ccc1C)C(C)C,"InChI=1/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3",C13H18,,,,,,IRICXAFZMINCTB-UHFFFAOYSA-N,,,,,,,,,,,
100.034.856,238-358-7,14387-30-5,"Dimethyl 4,4'-oxydibenzoate","dimethyl 4,4'-oxydibenzoate",COC(=O)c1ccc(Oc2ccc(cc2)C(=O)OC)cc1,COC(=O)c1ccc(Oc2ccc(cc2)C(=O)OC)cc1,"InChI=1/C16H14O5/c1-19-15(17)11-3-7-13(8-4-11)21-14-9-5-12(6-10-14)16(18)20-2/h3-10H,1-2H3",C16H14O5,,,,,,CGARGJZZBOHMIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.034.859,238-361-3,14396-21-5,"1,3-dimethyldisiloxane","1,3-dimethyldisiloxane",C[SiH2]O[SiH2]C,C[SiH2]O[SiH2]C,"InChI=1/C2H10OSi2/c1-4-3-5-2/h4-5H2,1-2H3",C2H10OSi2,,,,,,OFLMWACNYIOTNX-UHFFFAOYSA-N,,,,,,,,,,,
100.034.862,238-365-5,14400-67-0,"2,5-dimethylfuran-3(2H)-one","2,5-dimethylfuran-3(2H)-one",CC1OC(=CC1=O)C,CC1OC(=CC1=O)C,"InChI=1/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3",C6H8O2,,,,,,ASOSVCXGWPDUGN-UHFFFAOYSA-N,,,,,,,,,,,
100.034.868,238-371-8,14402-75-6,Cadmium dipotassium tetracyanide,cadmium dipotassium tetracyanide,[K+].[K+].[Cd+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N,[K+].[K+].[Cd+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N,InChI=1/4CN.Cd.2K/c4*1-2;;;/q4*-1;+2;2*+1,C4CdN4.2K,,,,,,AMFARPFBUUDQLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.048,260-571-9,57122-16-4,"1,3-bis(isopropyl)naphthalene","1,3-diisopropylnaphthalene",CC(C)c1cc(C(C)C)c2ccccc2c1,CC(C)c1cc(C(C)C)c2ccccc2c1,"InChI=1/C16H20/c1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)12(3)4/h5-12H,1-4H3",C16H20,,,,,,JDBFIFNXALGSOF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.049,260-572-4,57124-87-5,2-methyltetrahydrofuran-3-thiol,"2,5-anhydro-1,4-dideoxy-3-thiopentitol",CC1OCCC1S,CC1OCCC1S,"InChI=1/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3",C5H10OS,,,,,,DBPHPBLAKVZXOY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.055,260-579-2,57130-91-3,Bis(5-acetyl-8-hydroxyquinolinium) sulphate,bis(5-acetyl-8-hydroxyquinolinium) sulfate,CC(=O)c1ccc(O)c2[nH+]cccc12.CC(=O)c3ccc(O)c4[nH+]cccc34.[O-]S(=O)(=O)[O-],CC(=O)c1ccc(O)c2[nH+]cccc12.CC(=O)c3ccc(O)c4[nH+]cccc34.[O-]S(=O)(=O)[O-],"InChI=1/2C11H9NO2.H2O4S/c2*1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;1-5(2,3)4/h2*2-6,14H,1H3;(H2,1,2,3,4)",C11H9NO2.1/2H2O4S,,,,,,CDEWHBGYSWJUFP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.063,260-588-1,57137-33-4,"2-(tert-butyldioxy)-4,6-dimethoxy-1,3,5-triazine","2-(tert-butylperoxy)-4,6-dimethoxy-1,3,5-triazine",COc1nc(OC)nc(OOC(C)(C)C)n1,COc1nc(OC)nc(OOC(C)(C)C)n1,"InChI=1/C9H15N3O4/c1-9(2,3)16-15-8-11-6(13-4)10-7(12-8)14-5/h1-5H3",C9H15N3O4,,,,,,PCUXAOGRPUHYKH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.066,260-591-8,57144-06-6,"3-methoxyandrosta-3,5-dien-17-one","3-methoxyandrosta-3,5-dien-17-one",COC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,COC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,"InChI=1/C20H28O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,12,15-17H,5-11H2,1-3H3",C20H28O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12431,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.066,WSIQEGIPGPEMTC-TXTPUJOMSA-N,,,,,,,,,,,
100.055.069,260-594-4,57151-50-5,"4,5-dihydro-2-tridecyl-1H-imidazole-1-ethylamine","2-(2-tridecyl-4,5-dihydro-1H-imidazol-1-yl)ethanamine",CCCCCCCCCCCCCC1=NCCN1CCN,CCCCCCCCCCCCCC1=NCCN1CCN,"InChI=1/C18H37N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-20-15-17-21(18)16-14-19/h2-17,19H2,1H3",C18H37N3,,,,,,NHEGWEFANYLMRA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.071,260-597-0,57155-85-8,Bis(2-hydroxyethyl)ammonium dihydrogen citrate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium dihydrogen citrate,OCC[NH2+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],OCC[NH2+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.C4H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;6-3-1-5-2-4-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5-7H,1-4H2/p-2",C6H15NO3.C6H8O7,,,,,,SCOUYYCCBDRYLF-UHFFFAOYSA-L,,,,,,,,,,,
100.055.075,260-601-0,57166-83-3,N-[(dibutylamino)methyl]acrylamide,N-[(dibutylamino)methyl]acrylamide,CCCCN(CCCC)CNC(=O)C=C,CCCCN(CCCC)CNC(=O)C=C,"InChI=1/C12H24N2O/c1-4-7-9-14(10-8-5-2)11-13-12(15)6-3/h6H,3-5,7-11H2,1-2H3,(H,13,15)",C12H24N2O,,,,,,ZLVXBBQUJFPPNR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.077,260-603-1,57167-02-9,"2,7-Naphthalenedisulfonic acid, 5-[(2-amino-4-hydroxyphenyl)azo]-3-[[4'-[[7-[(2-amino-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, sodium salt","sodium 5-[(2-amino-4-hydroxyphenyl)diazenyl]-3-{[4'-({7-[(2-amino-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)-3,3'-dimethylbiphenyl-4-yl]diazenyl}-4-hydroxy-7-sulfonaphthalene-2-sulfonate",[Na+].Nc8cc(O)ccc8N=Nc6cc7c(O)c(N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(cc(N=Nc2ccc(O)cc2N)c3c4O)S(O)(=O)=O)S([O-])(=O)=O)c(C)c5)c(cc7cc6)S(O)(=O)=O,[Na+].Nc8cc(O)ccc8N=Nc6cc7c(O)c(N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(cc(N=Nc2ccc(O)cc2N)c3c4O)S(O)(=O)=O)S([O-])(=O)=O)c(C)c5)c(cc7cc6)S(O)(=O)=O,"InChI=1/C46H36N10O13S3.Na/c1-22-13-24(4-9-35(22)50-55-43-40(71(64,65)66)16-26-3-6-28(18-32(26)45(43)59)49-52-37-11-7-29(57)19-33(37)47)25-5-10-36(23(2)14-25)51-56-44-41(72(67,68)69)17-27-15-31(70(61,62)63)21-39(42(27)46(44)60)54-53-38-12-8-30(58)20-34(38)48;/h3-21,57-60H,47-48H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);/q;+1/p-1",C46H36N10O13S3.xNa,,,,,,GJCOTXMVFXWCSI-UHFFFAOYSA-M,,,,,,,,,,,
100.059.384,265-342-7,65059-84-9,"N-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-(diethylamino)phenyl]acetamide","N-[2-({4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2-methoxy-5-methylphenyl}diazenyl)-5-(diethylamino)phenyl]acetamide",Clc3cc(cc(Cl)c3N=Nc2cc(OC)c(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)cc2C)[N+]([O-])=O,Clc3cc(cc(Cl)c3N=Nc2cc(OC)c(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)cc2C)[N+]([O-])=O,"InChI=1/C26H27Cl2N7O4/c1-6-34(7-2)17-8-9-21(23(13-17)29-16(4)36)30-32-24-10-15(3)22(14-25(24)39-5)31-33-26-19(27)11-18(35(37)38)12-20(26)28/h8-14H,6-7H2,1-5H3,(H,29,36)",C26H27Cl2N7O4,,,,,,JGDSMFUIOOPEIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.388,265-346-9,65059-92-9,Benzylbis(2-hydroxypropyl)octadecylammonium chloride,"N-benzyl-N,N-bis(2-hydroxypropyl)octadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,"InChI=1/C31H58NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h19-21,23-24,29-30,33-34H,4-18,22,25-28H2,1-3H3;1H/q+1;/p-1",C31H58NO2.Cl,,,,,,WZQBRQMVLLLQII-UHFFFAOYSA-M,,,,,,,,,,,
100.059.389,265-347-4,65059-93-0,Benzylbis(2-hydroxypropyl)octylammonium chloride,"N-benzyl-N,N-bis(2-hydroxypropyl)octan-1-aminium chloride",[Cl-].CCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,[Cl-].CCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,"InChI=1/C21H38NO2.ClH/c1-4-5-6-7-8-12-15-22(16-19(2)23,17-20(3)24)18-21-13-10-9-11-14-21;/h9-11,13-14,19-20,23-24H,4-8,12,15-18H2,1-3H3;1H/q+1;/p-1",C21H38NO2.Cl,,,,,,STUWJCWJFWAPRD-UHFFFAOYSA-M,,,,,,,,,,,
100.059.393,265-352-1,65060-02-8,Hexadecyltrimethylammonium methyl sulphate,"N,N,N-trimethylhexadecan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C19H42N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5-6(2,3)4/h5-19H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C19H42N.CH3O4S,,,,,,OEWKLERKHURFTB-UHFFFAOYSA-M,,,,,,,,,,,
100.059.394,265-353-7,65060-04-0,"Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)[2-[(2-hydroxyethyl)[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]amino]ethyl]-2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]-N-methyl-, methyl sulfate (salt)",2-hydroxy-N-{2-[(2-hydroxyethyl)(2-{(2-hydroxyethyl)[2-(stearoyloxy)ethyl]amino}ethyl)amino]ethyl}-N-{2-[(2-hydroxyethyl)(stearoyl)amino]ethyl}-N-methylethanaminium methyl sulfate,CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C53H109N4O7.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(62)56(42-49-60)39-45-57(3,46-50-61)44-38-54(40-47-58)36-37-55(41-48-59)43-51-64-53(63)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h58-61H,4-51H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C53H109N4O7.CH3O4S,,,,,,JONIBJFAOKEPOT-UHFFFAOYSA-M,,,,,,,,,,,
100.059.405,265-365-2,65072-27-7,Tetrasodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methyl-4-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate,tetrasodium 4-({1-hydroxy-6-[({5-hydroxy-6-[(2-methyl-4-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-sulfonato-2-naphthyl}diazenyl)benzoate,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5C)S([O-])(=O)=O)c6O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5C)S([O-])(=O)=O)c6O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H26N6O14S3.4Na/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45;;;;/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;/q;4*+1/p-4",C35H26N6O14S3.4Na,,,,,,ZWLSUPJXSLPRJM-UHFFFAOYSA-J,,,,,,,,,,,
100.059.407,265-367-3,65072-36-8,Lithium 2-aminobenzothiazole-6-sulphonate,"lithium 2-amino-1,3-benzothiazole-6-sulfonate",[Li+].Nc1nc2ccc(cc2s1)S(=O)(=O)[O-],[Li+].Nc1nc2ccc(cc2s1)S(=O)(=O)[O-],"InChI=1/C7H6N2O3S2.Li/c8-7-9-5-2-1-4(14(10,11)12)3-6(5)13-7;/h1-3H,(H2,8,9)(H,10,11,12);/q;+1/p-1",C7H6N2O3S2.Li,,,,,,NBBLVDLLDBKXGK-UHFFFAOYSA-M,,,,,,,,,,,
100.059.883,265-890-7,65710-07-8,Apramycin sulphate,"5-amino-2-({7-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol sulfate (salt) (non-preferred name)",CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O.OS(=O)(=O)O,CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O.OS(=O)(=O)O,"InChI=1/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)",C21H41N5O11.xH2O4S,,,,,,WGLYHYWDYPSNPF-RQFIXDHTSA-N,,,,,,,,,,,
100.059.886,265-893-3,65719-10-0,"4,6-bis(butylamino)-1,3,5-triazin-2(1H)-one","4,6-bis(butylamino)-1,3,5-triazin-2(1H)-one",CCCCNC1=NC(=NC(=O)N1)NCCCC,CCCCNC1=NC(=NC(=O)N1)NCCCC,"InChI=1/C11H21N5O/c1-3-5-7-12-9-14-10(13-8-6-4-2)16-11(17)15-9/h3-8H2,1-2H3,(H3,12,13,14,15,16,17)",C11H21N5O,,,,,,XMSJMFAAHVGNCX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.343,265-297-3,64981-00-6,"Sodium 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulphonyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-{[(4-methylphenyl)sulfonyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[Na+].Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C21H16N2O7S2.Na/c1-11-6-8-12(9-7-11)31(26,27)23-15-10-16(32(28,29)30)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,28,29,30);/q;+1/p-1",C21H16N2O7S2.Na,,,,,,RAMQOEBTONSQRF-UHFFFAOYSA-M,,,,,,,,,,,
100.059.345,265-299-4,64987-03-7,Ethyl 2-formamido-a-oxothiazol-4-acetate,"ethyl (2-formamido-1,3-thiazol-4-yl)(oxo)acetate",CCOC(=O)C(=O)c1csc(NC=O)n1,CCOC(=O)C(=O)c1csc(NC=O)n1,"InChI=1/C8H8N2O4S/c1-2-14-7(13)6(12)5-3-15-8(10-5)9-4-11/h3-4H,2H2,1H3,(H,9,10,11)",C8H8N2O4S,,,,,,NTACMHVXGGGRQU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.346,265-300-8,64987-05-9,Ethyl 2-formamidothiazol-4-acetate,"ethyl (2-formamido-1,3-thiazol-4-yl)acetate",CCOC(=O)Cc1csc(NC=O)n1,CCOC(=O)Cc1csc(NC=O)n1,"InChI=1/C8H10N2O3S/c1-2-13-7(12)3-6-4-14-8(10-6)9-5-11/h4-5H,2-3H2,1H3,(H,9,10,11)",C8H10N2O3S,,,,,,UAGSMUJDTUOTFP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.351,265-306-0,65000-36-4,1-(ethylamino)-4-(methylamino)anthraquinone,"1-(ethylamino)-4-(methylamino)-9,10-anthraquinone",CCNc1ccc(NC)c2C(=O)c3ccccc3C(=O)c12,CCNc1ccc(NC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H16N2O2/c1-3-19-13-9-8-12(18-2)14-15(13)17(21)11-7-5-4-6-10(11)16(14)20/h4-9,18-19H,3H2,1-2H3",C17H16N2O2,,,,,,JOIIEYIBZDNPMY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.355,265-310-2,65021-23-0,"3,3,6-trimethylindan-5-ol","3,3,6-trimethylindan-5-ol",Cc1cc2CCC(C)(C)c2cc1O,Cc1cc2CCC(C)(C)c2cc1O,"InChI=1/C12H16O/c1-8-6-9-4-5-12(2,3)10(9)7-11(8)13/h6-7,13H,4-5H2,1-3H3",C12H16O,,,,,,WAOVQCLZCDCKAM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.356,265-311-8,65021-24-1,"3,3,4-trimethylindan-5-ol","3,3,4-trimethylindan-5-ol",Cc1c(O)ccc2CCC(C)(C)c12,Cc1c(O)ccc2CCC(C)(C)c12,"InChI=1/C12H16O/c1-8-10(13)5-4-9-6-7-12(2,3)11(8)9/h4-5,13H,6-7H2,1-3H3",C12H16O,,,,,,JZJZRJRTZPKWJD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.361,265-317-0,65036-62-6,Sodium a-hydroxy-m-methoxytoluene-a-sulphonate,sodium hydroxy(3-methoxyphenyl)methanesulfonate,[Na+].COc1cccc(c1)C(O)S(=O)(=O)[O-],[Na+].COc1cccc(c1)C(O)S(=O)(=O)[O-],"InChI=1/C8H10O5S.Na/c1-13-7-4-2-3-6(5-7)8(9)14(10,11)12;/h2-5,8-9H,1H3,(H,10,11,12);/q;+1/p-1",C8H10O5S.Na,,,,,,SLVTZJLMUXSNJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.059.862,265-867-1,65673-48-5,4-[2-(2-methoxyethoxy)ethoxy]aniline,4-[2-(2-methoxyethoxy)ethoxy]aniline,COCCOCCOc1ccc(N)cc1,COCCOCCOc1ccc(N)cc1,"InChI=1/C11H17NO3/c1-13-6-7-14-8-9-15-11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3",C11H17NO3,,,,,,IWXQVPLYQQTJTR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.863,265-868-7,65676-18-8,Cyclododecyl chloroformate,cyclododecyl chlorocarbonate,ClC(=O)OC1CCCCCCCCCCC1,ClC(=O)OC1CCCCCCCCCCC1,"InChI=1/C13H23ClO2/c14-13(15)16-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2",C13H23ClO2,,,,,,RUVAAQJZCQKNAU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.867,265-872-9,65678-12-8,5-(tert-butyl)-3-chloro-4-hydroxybenzaldehyde,3-tert-butyl-5-chloro-4-hydroxybenzaldehyde,CC(C)(C)c1cc(C=O)cc(Cl)c1O,CC(C)(C)c1cc(C=O)cc(Cl)c1O,"InChI=1/C11H13ClO2/c1-11(2,3)8-4-7(6-13)5-9(12)10(8)14/h4-6,14H,1-3H3",C11H13ClO2,,,,,,VRDIKTAXORPVGA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.873,265-879-7,65694-09-9,Benzyldimethyl[3-[(1-oxohexadecyl)amino]propyl]ammonium chloride,"N-benzyl-N,N-dimethyl-3-(palmitoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C28H50N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-23-28(31)29-24-20-25-30(2,3)26-27-21-17-16-18-22-27;/h16-18,21-22H,4-15,19-20,23-26H2,1-3H3;1H",C28H51N2O.Cl,,,,,,FCWLLOCBTJAGDE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.752,266-848-0,67663-02-9,"3,4-epoxyhexanol",2-(3-ethyloxiran-2-yl)ethanol,CCC1OC1CCO,CCC1OC1CCO,"InChI=1/C6H12O2/c1-2-5-6(8-5)3-4-7/h5-7H,2-4H2,1H3",C6H12O2,,,,,,STHLKDCSDYFCCW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.753,266-849-6,67663-03-0,1-(3-butyl-4-methylphenyl)ethan-1-one,1-(3-butyl-4-methylphenyl)ethanone,CCCCc1cc(ccc1C)C(=O)C,CCCCc1cc(ccc1C)C(=O)C,"InChI=1/C13H18O/c1-4-5-6-12-9-13(11(3)14)8-7-10(12)2/h7-9H,4-6H2,1-3H3",C13H18O,,,,,,POZXPCYPGRBKIL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.765,266-862-7,67674-23-1,"2-[[4-[(2,5-dichlorophenyl)azo]-3-methylphenyl]ethylamino]ethanol","2-[{4-[(2,5-dichlorophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethanol",Clc2ccc(Cl)cc2N=Nc1ccc(cc1C)N(CC)CCO,Clc2ccc(Cl)cc2N=Nc1ccc(cc1C)N(CC)CCO,"InChI=1/C17H19Cl2N3O/c1-3-22(8-9-23)14-5-7-16(12(2)10-14)20-21-17-11-13(18)4-6-15(17)19/h4-7,10-11,23H,3,8-9H2,1-2H3",C17H19Cl2N3O,,,,,,LPTYKUABXWKEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.767,266-864-8,67674-25-3,"2,2'-[[2-methyl-4-[(4-nitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({2-methyl-4-[(4-nitrophenyl)diazenyl]phenyl}imino)diethanol",[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(N(CCO)CCO)c(C)c2,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(N(CCO)CCO)c(C)c2,"InChI=1/C17H20N4O4/c1-13-12-15(4-7-17(13)20(8-10-22)9-11-23)19-18-14-2-5-16(6-3-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3",C17H20N4O4,,,,,,PBUKNKCXMIEGOO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.769,266-866-9,67674-27-5,"1-amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]anthraquinone","1-amino-8-(benzylamino)-2-bromo-4,5-dihydroxy-9,10-anthraquinone",Nc1c(Br)cc(O)c2C(=O)c3c(O)ccc(NCc4ccccc4)c3C(=O)c12,Nc1c(Br)cc(O)c2C(=O)c3c(O)ccc(NCc4ccccc4)c3C(=O)c12,"InChI=1/C21H15BrN2O4/c22-11-8-14(26)17-18(19(11)23)20(27)15-12(6-7-13(25)16(15)21(17)28)24-9-10-4-2-1-3-5-10/h1-8,24-26H,9,23H2",C21H15BrN2O4,,,,,,NKSQHTJRIYAPSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.507,257-776-0,52238-92-3,"N,N'-(2,5-dichloro-1,4-phenylene)bis[4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxynaphthalene-2-carboxamide]","N,N'-(2,5-dichloro-1,4-phenylene)bis(4-{[2-chloro-5-(trifluoromethyl)phenyl]diazenyl}-3-hydroxy-2-naphthamide)",Clc7ccc(cc7N=Nc5c6ccccc6cc(C(=O)Nc4cc(Cl)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2Cl)C(F)(F)F)c3O)cc4Cl)c5O)C(F)(F)F,Clc7ccc(cc7N=Nc5c6ccccc6cc(C(=O)Nc4cc(Cl)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2Cl)C(F)(F)F)c3O)cc4Cl)c5O)C(F)(F)F,"InChI=1/C42H22Cl4F6N6O4/c43-27-11-9-21(41(47,48)49)15-33(27)55-57-35-23-7-3-1-5-19(23)13-25(37(35)59)39(61)53-31-17-30(46)32(18-29(31)45)54-40(62)26-14-20-6-2-4-8-24(20)36(38(26)60)58-56-34-16-22(42(50,51)52)10-12-28(34)44/h1-18,59-60H,(H,53,61)(H,54,62)",C42H22Cl4F6N6O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10006,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.507,GEVPMCITMSGJKL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.510,257-779-7,52239-04-0,"Methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-ß-alaninate","methyl N-ethyl-N-{4-[(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl}-beta-alaninate",COC(=O)CCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,COC(=O)CCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,"InChI=1/C19H19N5O4S/c1-3-23(11-10-18(25)28-2)14-6-4-13(5-7-14)20-21-19-16-12-15(24(26)27)8-9-17(16)22-29-19/h4-9,12H,3,10-11H2,1-2H3",C19H19N5O4S,,,,,,VHLFTCNAACYPDY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.511,257-780-2,52239-63-1,"Malic acid, compound with 2-(ethylthio)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine (2:1)",2-hydroxysuccinic acid - 2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine (2:1),CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1.OC(CC(=O)O)C(=O)O.OC(CC(=O)O)C(=O)O,CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1.OC(CC(=O)O)C(=O)O.OC(CC(=O)O)C(=O)O,"InChI=1/C22H29N3S2.2C4H6O5/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-2(4(8)9)1-3(6)7/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*2,5H,1H2,(H,6,7)(H,8,9)",C22H29N3S2.2C4H6O5,,,,,,GTHHLZDYRHLACN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.516,257-786-5,52248-38-1,"[2S-(2a,4a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide","3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide",CC1(C)C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S1=O)C(=O)O,CC1(C)C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S1=O)C(=O)O,"InChI=1/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C16H18N2O5S,,,,,,FCZNNHHXCFARDY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.525,257-795-4,52260-69-2,1-ethyl-2-[3-(1-ethyl-2-methyl-4(1H)-quinolylidene)prop-1-enyl]-4-methylquinolinium iodide,1-ethyl-2-[3-(1-ethyl-2-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-4-methylquinolinium iodide,[I-].CC[n+]4c1ccccc1c(C)cc4C=CC=C3\\C=C(\\C)N(CC)c2ccccc23,[I-].CC[n+]4c1ccccc1c(C)cc4C=CC=C3\C=C(\C)N(CC)c2ccccc23,"InChI=1/C27H29N2.HI/c1-5-28-21(4)19-22(25-15-8-10-17-27(25)28)12-11-13-23-18-20(3)24-14-7-9-16-26(24)29(23)6-2;/h7-19H,5-6H2,1-4H3;1H/q+1;/p-1",C27H29N2.I,,,,,,PGPWDXMONHNWIC-UHFFFAOYSA-M,,,,,,,,,,,
100.052.527,257-798-0,52270-44-7,Cobalt(2+) neodecanoate,"cobalt(2+) bis(2-ethyl-2,5-dimethylhexanoate)",[Co+2].CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-],[Co+2].CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-],"InChI=1/2C10H20O2.Co/c2*1-5-10(4,9(11)12)7-6-8(2)3;/h2*8H,5-7H2,1-4H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Co,,,,,,KOKXAPDKXDSOEG-UHFFFAOYSA-L,,,,,,,,,,,
100.060.120,266-153-2,66104-54-9,"1,3,5-tripropoxybenzene","1,3,5-tripropoxybenzene",CCCOc1cc(OCCC)cc(OCCC)c1,CCCOc1cc(OCCC)cc(OCCC)c1,"InChI=1/C15H24O3/c1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3/h10-12H,4-9H2,1-3H3",C15H24O3,,,,,,RKFICKITOKOWEV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.123,266-156-9,66104-67-4,2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl hydrogen maleate,"4-oxo-5,8,11,14-tetraoxahexacos-2-en-1-oic acid",CCCCCCCCCCCCOCCOCCOCCOC(=O)\\C=C/C(=O)O,CCCCCCCCCCCCOCCOCCOCCOC(=O)\C=C/C(=O)O,"InChI=1/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-14-26-15-16-27-17-18-28-19-20-29-22(25)13-12-21(23)24/h12-13H,2-11,14-20H2,1H3,(H,23,24)",C22H40O7,,,,,,LSDNCMFQVGKKGP-SEYXRHQNSA-N,,,,,,,,,,,
100.061.634,267-817-4,67936-16-7,"2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-N,N-dimethyl-1-methylethylamine","1-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)-N,N-dimethylpropan-2-amine",CC(CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3)N(C)C,CC(CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3)N(C)C,"InChI=1/C20H24ClN3O2S/c1-15(23(2)3)14-27(25,26)19-10-8-18(9-11-19)24-13-12-20(22-24)16-4-6-17(21)7-5-16/h4-11,15H,12-14H2,1-3H3",C20H24ClN3O2S,,,,,,YTUDQPCUGVTOBD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.644,267-828-4,67939-25-7,"4,5-dihydro-1-(2-methyl-4-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid","1-(2-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",Cc1cc(ccc1N2N=C(CC2=O)C(=O)O)S(=O)(=O)O,Cc1cc(ccc1N2N=C(CC2=O)C(=O)O)S(=O)(=O)O,"InChI=1/C11H10N2O6S/c1-6-4-7(20(17,18)19)2-3-9(6)13-10(14)5-8(12-13)11(15)16/h2-4H,5H2,1H3,(H,15,16)(H,17,18,19)",C11H10N2O6S,,,,,,WPBFQWYLRKBVCE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.078,260-604-7,57170-02-2,Dipotassium tetradec-2-enylsuccinate,dipotassium tetradec-2-en-1-ylsuccinate,[K+].[K+].[O-]C(=O)C(CC=CCCCCCCC)(CC=CCCCCCCC)C(CC=CCCCCCCC)(CC=CCCCCCCC)C([O-])=O,[K+].[K+].[O-]C(=O)C(CC=CCCCCCCC)(CC=CCCCCCCC)C(CC=CCCCCCCC)(CC=CCCCCCCC)C([O-])=O,"InChI=1/C44H78O4.2K/c1-5-9-13-17-21-25-29-33-37-43(41(45)46,38-34-30-26-22-18-14-10-6-2)44(42(47)48,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;;/h29-36H,5-28,37-40H2,1-4H3,(H,45,46)(H,47,48);;/q;2*+1/p-2",C18H32O4.2K,,,,,,JRHLLAQEXYJMGV-UHFFFAOYSA-L,,,,,,,,,,,
100.038.238,242-078-0,18189-19-0,[4-(bromomethyl)phenyl]phenylethanedione,"1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione",BrCc1ccc(cc1)C(=O)C(=O)c2ccccc2,BrCc1ccc(cc1)C(=O)C(=O)c2ccccc2,"InChI=1/C15H11BrO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2",C15H11BrO2,,,,,,QELAVTMDKHSMOP-UHFFFAOYSA-N,,,,,,,,,,,
100.038.241,242-081-7,18190-79-9,4-hydroxy-1-(hydroxymethyl)-5-methoxy-3-(methoxymethyl)imidazolidin-2-one,4-hydroxy-1-(hydroxymethyl)-5-methoxy-3-(methoxymethyl)imidazolidin-2-one,COCN1C(O)C(OC)N(CO)C1=O,COCN1C(O)C(OC)N(CO)C1=O,"InChI=1/C7H14N2O5/c1-13-4-9-5(11)6(14-2)8(3-10)7(9)12/h5-6,10-11H,3-4H2,1-2H3",C7H14N2O5,,,,,,ZNLUHFSDKZRMES-UHFFFAOYSA-N,,,,,,,,,,,
100.038.249,242-090-6,18200-72-1,Sodium 1-carboxylatoethyl stearate,sodium 2-(stearoyloxy)propanoate,[Na+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-],"InChI=1/C21H40O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h19H,3-18H2,1-2H3,(H,23,24);/q;+1/p-1",C21H40O4.Na,,,,,,KNYAZNABVSEZDS-UHFFFAOYSA-M,,,,,,,,,,,
100.033.379,236-732-4,13470-08-1,Titanium trifluoride,-,[F-].[F-].[F-].[Ti+2],[F-].[F-].[F-].[Ti+2],InChI=1/3FH.Ti/h3*1H;/q;;;+2/p-3,F3Ti,,,,,,UKTMGQNAKMYTDJ-UHFFFAOYSA-K,,,,,,,,,,,
100.033.382,236-736-6,13470-26-3,Vanadium tribromide,-,[Br-].[Br-].[Br-].[V+2],[Br-].[Br-].[Br-].[V+2],InChI=1/3BrH.V/h3*1H;/q;;;+2/p-3,Br3V,,,,,,FUVSFYBHRNRZJN-UHFFFAOYSA-K,,,,,,,,,,,
100.033.391,236-746-0,13472-62-3,2-oxopyridinium chloride,"2-oxo-1,2-dihydropyridinium chloride",[Cl-].O=C1[NH2+]C=CC=C1,[Cl-].O=C1[NH2+]C=CC=C1,"InChI=1/C5H5NO.ClH/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H",C5H5NO.ClH,,,,,,NRGKFNDKBDBBGY-UHFFFAOYSA-N,,,,,,,,,,,
100.033.398,236-753-9,13474-96-9,"Bis[13-hydroxy-7-[2-(2-hydroxypropoxy)-1-methylethoxy]-1,5,9-trimethyl-3,6,8,11-tetraoxa-7-phosphatetradec-1-yl][2-(2-hydroxypropoxy)-1-methylethyl]phosphine","19-hydroxy-13-[2-(2-hydroxypropoxy)-1-methylethoxy]-6-[2-(2-hydroxypropoxy)-1-methylethyl]-1,5,7,11,15-pentamethyl-3,9,12,14,17-pentaoxa-6,13-diphosphaicos-1-yl bis[2-(2-hydroxypropoxy)-1-methylethyl] phosphite",CC(O)COCC(C)OP(OC(C)COCC(C)O)OC(C)COCC(C)P(C(C)COCC(C)O)C(C)COCC(C)OP(OC(C)COCC(C)O)OC(C)COCC(C)O,CC(O)COCC(C)OP(OC(C)COCC(C)O)OC(C)COCC(C)P(C(C)COCC(C)O)C(C)COCC(C)OP(OC(C)COCC(C)O)OC(C)COCC(C)O,"InChI=1/C42H89O18P3/c1-29(43)15-48-20-34(6)55-62(56-35(7)21-49-16-30(2)44)59-38(10)24-53-27-41(13)61(40(12)26-52-19-33(5)47)42(14)28-54-25-39(11)60-63(57-36(8)22-50-17-31(3)45)58-37(9)23-51-18-32(4)46/h29-47H,15-28H2,1-14H3",C42H89O21P3,,,,,,AKMQCIVYHBOGHO-UHFFFAOYSA-N,,,,,,,,,,,
100.033.402,236-758-6,13476-79-4,Copper dihexanoate,copper(2+) dihexanoate,[Cu+2].O=C([O-])CCCCC.[O-]C(=O)CCCCC,[Cu+2].O=C([O-])CCCCC.[O-]C(=O)CCCCC,"InChI=1/2C6H12O2.Cu/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);/q;;+2/p-2",C6H12O2.1/2Cu,,,,,,SMNMOEIFYRALNM-UHFFFAOYSA-L,,,,,,,,,,,
100.033.408,236-764-9,13477-17-3,Tricadmium bis(phosphate),tricadmium bis(phosphate),[Cd+2].[Cd+2].[Cd+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Cd+2].[Cd+2].[Cd+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3Cd.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",Cd.2/3H3O4P,,,,,,NRGIRRZWCDKDMV-UHFFFAOYSA-H,,,,,,,,,,,
100.031.149,234-277-6,11059-65-7,Zinc bis[bis(tetrapropylenephenyl)] bis(hydrogen dithiophosphate),"zinc bis{O,O-bis[4-(2,4-dimethyl-3-propylheptyl)phenyl] dithiophosphate}",[Zn+2].CCCC(C)C(CCC)C(C)Cc1ccc(OP(=S)([S-])Oc2ccc(CC(C)C(CCC)C(C)CCC)cc2)cc1.CCCC(C)C(CCC)C(C)Cc3ccc(OP(=S)([S-])Oc4ccc(CC(C)C(CCC)C(C)CCC)cc4)cc3,[Zn+2].CCCC(C)C(CCC)C(C)Cc1ccc(OP(=S)([S-])Oc2ccc(CC(C)C(CCC)C(C)CCC)cc2)cc1.CCCC(C)C(CCC)C(C)Cc3ccc(OP(=S)([S-])Oc4ccc(CC(C)C(CCC)C(C)CCC)cc4)cc3,"InChI=1/2C36H59O2PS2.Zn/c2*1-9-13-27(5)35(15-11-3)29(7)25-31-17-21-33(22-18-31)37-39(40,41)38-34-23-19-32(20-24-34)26-30(8)36(16-12-4)28(6)14-10-2;/h2*17-24,27-30,35-36H,9-16,25-26H2,1-8H3,(H,40,41);/q;;+2/p-2",C36H59O2PS2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12541,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.149,JVQCNSRVEPWJNL-UHFFFAOYSA-L,,,,,,,,,,,
100.031.165,234-294-9,11071-47-9,Isooctene,6-methylhept-1-ene,CC(C)CCCC=C,CC(C)CCCC=C,"InChI=1/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3",C8H16,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1402,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.165,DFVOXRAAHOJJBN-UHFFFAOYSA-N,,,,,,,,,,,
100.036.378,240-032-4,15894-70-9,"N,N'''-1,6-hexanediylbis[N'-cyanoguanidine]","N',N''''-hexane-1,6-diylbis(1-cyanoguanidine)",N=C(NCCCCCCNC(=N)NC#N)NC#N,N=C(NCCCCCCNC(=N)NC#N)NC#N,"InChI=1/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18)",C10H18N8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16121,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.378,YXZZOMVBHPCKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.036.379,240-034-5,15896-09-0,Cyclohexyl vinylcarbamate,cyclohexyl vinylcarbamate,C=CNC(=O)OC1CCCCC1,C=CNC(=O)OC1CCCCC1,"InChI=1/C9H15NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h2,8H,1,3-7H2,(H,10,11)",C9H15NO2,,,,,,KEBIPYRRRTZHIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.893,265-902-0,65738-24-1,"2,3-dihydro-5-methoxy-2-methyl-1,3-dioxo-1H-benz[de]isoquinoline-6-carbaldehyde","5-methoxy-2-methyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carbaldehyde",COc1cc2C(=O)N(C)C(=O)c3cccc(c1C=O)c23,COc1cc2C(=O)N(C)C(=O)c3cccc(c1C=O)c23,"InChI=1/C15H11NO4/c1-16-14(18)9-5-3-4-8-11(7-17)12(20-2)6-10(13(8)9)15(16)19/h3-7H,1-2H3",C15H11NO4,,,,,,GOUMEIKYAMBCGX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.895,265-904-1,65743-07-9,"2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane","2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane",CCCCCCC1COCCOCCOCCOCCO1,CCCCCCC1COCCOCCOCCOCCO1,"InChI=1/C16H32O5/c1-2-3-4-5-6-16-15-20-12-11-18-8-7-17-9-10-19-13-14-21-16/h16H,2-15H2,1H3",C16H32O5,,,,,,RANNPNXRABIJJU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.896,265-905-7,65749-30-6,Lithium iodoacetate,lithium iodoacetate,[Li+].[O-]C(=O)CI,[Li+].[O-]C(=O)CI,"InChI=1/C2H3IO2.Li/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",C2H3IO2.Li,,,,,,RZCFQIDTJPHHFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.059.900,265-909-9,65750-59-6,(4-nitrophenyl)methyl (2-mercaptoethyl)carbamate,4-nitrobenzyl (2-sulfanylethyl)carbamate,[O-][N+](=O)c1ccc(COC(=O)NCCS)cc1,[O-][N+](=O)c1ccc(COC(=O)NCCS)cc1,"InChI=1/C10H12N2O4S/c13-10(11-5-6-17)16-7-8-1-3-9(4-2-8)12(14)15/h1-4,17H,5-7H2,(H,11,13)",C10H12N2O4S,,,,,,WZKJVDAVEBGOMU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.916,265-927-7,65796-91-0,Hexahydro-3-(methylamino)-2H-azepin-2-one,3-(methylamino)azepan-2-one,CNC1CCCCNC1=O,CNC1CCCCNC1=O,"InChI=1/C7H14N2O/c1-8-6-4-2-3-5-9-7(6)10/h6,8H,2-5H2,1H3,(H,9,10)",C7H14N2O,,,,,,DWDJOZZRBORZQE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.148,267-283-2,67828-65-3,3-chloro-4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1),bis(3-chloro-4-morpholin-4-ylbenzenediazonium) tetrachlorozincate(2-),Clc1cc(ccc1N2CCOCC2)[N+]#N.Clc3cc(ccc3N4CCOCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,Clc1cc(ccc1N2CCOCC2)[N+]#N.Clc3cc(ccc3N4CCOCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C10H11ClN3O.4ClH.Zn/c2*11-9-7-8(13-12)1-2-10(9)14-3-5-15-6-4-14;;;;;/h2*1-2,7H,3-6H2;4*1H;/q2*+1;;;;;+2/p-4/r2C10H11ClN3O.Cl4Zn/c2*11-9-7-8(13-12)1-2-10(9)14-3-5-15-6-4-14;1-5(2,3)4/h2*1-2,7H,3-6H2;/q2*+1;-2",C10H11ClN3O.1/2Cl4Zn,,,,,,QZTLWSFQGBGQLX-UHFFFAOYSA-J,,,,,,,,,,,
100.061.151,267-286-9,67828-68-6,1-(4-hydroxyphenyl)-2-(methylamino)ethan-1-one hydrochloride,1-(4-hydroxyphenyl)-2-(methylamino)ethanone hydrochloride,Cl.CNCC(=O)c1ccc(O)cc1,Cl.CNCC(=O)c1ccc(O)cc1,"InChI=1/C9H11NO2.ClH/c1-10-6-9(12)7-2-4-8(11)5-3-7;/h2-5,10-11H,6H2,1H3;1H",C9H11NO2.ClH,,,,,,FKGNVJPOAYAVNM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.152,267-287-4,67828-69-7,Methyl 5-chloro-4-hydroxysalicylate,"methyl 5-chloro-2,4-dihydroxybenzoate",COC(=O)c1cc(Cl)c(O)cc1O,COC(=O)c1cc(Cl)c(O)cc1O,"InChI=1/C8H7ClO4/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3,10-11H,1H3",C8H7ClO4,,,,,,FWVVYIBOMRGUOT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.154,267-290-0,67828-71-1,"5-acetyl-2-(furfurylthio)dihydro-2,5-dimethylfuran-3(2H)-one","5-acetyl-2-[(2-furylmethyl)sulfanyl]-2,5-dimethyldihydrofuran-3(2H)-one",CC(=O)C1(C)CC(=O)C(C)(O1)SCc2occc2,CC(=O)C1(C)CC(=O)C(C)(O1)SCc2occc2,"InChI=1/C13H16O4S/c1-9(14)12(2)7-11(15)13(3,17-12)18-8-10-5-4-6-16-10/h4-6H,7-8H2,1-3H3",C13H16O4S,,,,,,GQCBHHWLIWZIIT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.155,267-291-6,67828-72-2,Strontium 4-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1),strontium 4-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[SrH2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,[SrH2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Sr.2H/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;;/q;+2;;/p-2/rC18H13ClN2O6S.H2Sr/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);1H2/q;+2/p-2",C18H13ClN2O6S.Sr,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11502,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.155,QUEXTDXUFWPTCK-UHFFFAOYSA-L,,,,,,,,,,,
100.061.156,267-292-1,67828-73-3,3-(benzo[f]quinolin-3-ylmethylene)phthalide,3-(benzo[f]quinolin-3-ylmethylene)-2-benzofuran-1(3H)-one,O=C4OC(=Cc1ccc2c3ccccc3ccc2n1)c5ccccc45,O=C4OC(=Cc1ccc2c3ccccc3ccc2n1)c5ccccc45,InChI=1/C22H13NO2/c24-22-19-8-4-3-7-18(19)21(25-22)13-15-10-11-17-16-6-2-1-5-14(16)9-12-20(17)23-15/h1-13H,C22H13NO2,,,,,,JMTWWDIOGUSVMC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.162,267-298-4,67833-50-5,"5-(aminosulphonyl)-N-(2,5-dichloropentyl)-2-methoxybenzamide","N-(2,5-dichloropentyl)-2-methoxy-5-sulfamoylbenzamide",COc1ccc(cc1C(=O)NCC(Cl)CCCCl)S(=O)(=O)N,COc1ccc(cc1C(=O)NCC(Cl)CCCCl)S(=O)(=O)N,"InChI=1/C13H18Cl2N2O4S/c1-21-12-5-4-10(22(16,19)20)7-11(12)13(18)17-8-9(15)3-2-6-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)(H2,16,19,20)",C13H18Cl2N2O4S,,,,,,QTWZISKLRIHFNO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.167,267-305-0,67845-26-5,"Tetrahydro-3,5-bis(hydroxymethyl)-4H-pyran-4-one","3,5-bis(hydroxymethyl)tetrahydro-4H-pyran-4-one",OCC1COCC(CO)C1=O,OCC1COCC(CO)C1=O,"InChI=1/C7H12O4/c8-1-5-3-11-4-6(2-9)7(5)10/h5-6,8-9H,1-4H2",C7H12O4,,,,,,RYGCGBYTXDCDPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.171,267-309-2,67845-34-5,2-ethoxy-5-methylpyrazine,2-ethoxy-5-methylpyrazine,CCOc1cnc(C)cn1,CCOc1cnc(C)cn1,"InChI=1/C7H10N2O/c1-3-10-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3",C7H10N2O,,,,,,MGDMTRSONRZXOH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.770,266-867-4,67674-28-6,Sodium m-[[4-[[p-[bis(2-hydroxyethyl)amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonate,sodium 3-{[4-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonate,[Na+].OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2cccc(c2)S([O-])(=O)=O)c3ccccc34,[Na+].OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2cccc(c2)S([O-])(=O)=O)c3ccccc34,"InChI=1/C26H25N5O5S.Na/c32-16-14-31(15-17-33)21-10-8-19(9-11-21)27-29-25-12-13-26(24-7-2-1-6-23(24)25)30-28-20-4-3-5-22(18-20)37(34,35)36;/h1-13,18,32-33H,14-17H2,(H,34,35,36);/q;+1/p-1",C26H25N5O5S.Na,,,,,,ONPFOQUDWPKMIV-UHFFFAOYSA-M,,,,,,,,,,,
100.060.771,266-869-5,67674-29-7,"3-[[2,4-dimethoxy-6-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-1-sulphonic acid","3-[(2,4-dimethoxy-6-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonic acid",COc3cc(cc(c3N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O)OC,COc3cc(cc(c3N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O)OC,"InChI=1/C20H20N2O12S3/c1-32-12-9-16(33-2)19(18(10-12)35(24,25)8-7-34-37(29,30)31)22-21-15-11-17(36(26,27)28)13-5-3-4-6-14(13)20(15)23/h3-6,9-11,23H,7-8H2,1-2H3,(H,26,27,28)(H,29,30,31)",C20H20N2O12S3,,,,,,PWYLBTOLSOJCAB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.773,266-871-6,67674-32-2,N-[3-[(2-hydroxyethyl)sulphonyl]-4-methoxyphenyl]acetamide,N-{3-[(2-hydroxyethyl)sulfonyl]-4-methoxyphenyl}acetamide,COc1ccc(NC(=O)C)cc1S(=O)(=O)CCO,COc1ccc(NC(=O)C)cc1S(=O)(=O)CCO,"InChI=1/C11H15NO5S/c1-8(14)12-9-3-4-10(17-2)11(7-9)18(15,16)6-5-13/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)",C11H15NO5S,,,,,,ZZTVEJMYLNAEMN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.007,261-628-0,59150-78-6,2-[(3-aminophenyl)methylene]butyric acid,2-(3-aminobenzylidene)butanoic acid,Nc1cc(C=C(CC)C(O)=O)ccc1,Nc1cc(C=C(CC)C(O)=O)ccc1,"InChI=1/C11H13NO2/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-7H,2,12H2,1H3,(H,13,14)",C11H13NO2,,,,,,DHELLYXEESJYNP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.009,261-630-1,59153-95-6,"Octahydro-7a,8,8-trimethyl-1,5-methano-1H-inden-1-ol","7,8,8-trimethyloctahydro-1H-1,5-methanoinden-1-ol",C[C@@H]1CC3CC2CCC(O)(C12)C3(C)C,C[C@@H]1CC3CC2CCC(O)(C12)C3(C)C,"InChI=1/C13H22O/c1-8-6-10-7-9-4-5-13(14,11(8)9)12(10,2)3/h8-11,14H,4-7H2,1-3H3",C13H22O,,,,,,NGYPQPYETUEBFZ-SEOMOHDOSA-N,,,,,,,,,,,
100.056.010,261-631-7,59154-46-0,Ethyl 3-bromo-2-methylpropionate,ethyl 3-bromo-2-methylpropanoate,CCOC(=O)C(C)CBr,CCOC(=O)C(C)CBr,"InChI=1/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3",C6H11BrO2,,,,,,VTORDCJYLAYUQF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.020,261-642-7,59176-08-8,(Z)-a-(methoxyimino)furan-2-acetyl chloride,2-furyl(methoxyimino)acetyl chloride,CO\\N=C(/C(=O)Cl)\\c1occc1,CO\N=C(/C(=O)Cl)\c1occc1,"InChI=1/C7H6ClNO3/c1-11-9-6(7(8)10)5-3-2-4-12-5/h2-4H,1H3",C7H6ClNO3,,,,,,HCJIHHSBMCGTGF-TWGQIWQCSA-N,,,,,,,,,,,
100.056.027,261-650-0,59189-51-4,"2,6-difluorobenzophenone","(2,6-difluorophenyl)(phenyl)methanone",Fc1cccc(F)c1C(=O)c2ccccc2,Fc1cccc(F)c1C(=O)c2ccccc2,InChI=1/C13H8F2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8H,C13H8F2O,,,,,,KTRGJHDNHIPMEY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.030,261-653-7,59191-99-0,"N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxovaleramide","N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide",CC(C)(C)C(=O)CC(=O)Nc1cc(N)ccc1Cl,CC(C)(C)C(=O)CC(=O)Nc1cc(N)ccc1Cl,"InChI=1/C13H17ClN2O2/c1-13(2,3)11(17)7-12(18)16-10-6-8(15)4-5-9(10)14/h4-6H,7,15H2,1-3H3,(H,16,18)",C13H17ClN2O2,,,,,,YCUUYCDRYVMBGY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.032,261-655-8,59198-70-8,"6a,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-valerate","6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate",CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3",C27H36F2O5,,,,,,HHJIUUAMYGBVSD-YTFFSALGSA-N,,,,,,,,,,,
100.056.040,261-664-7,59219-57-7,Disodium (Z)-4-(9-octadecenylamino)-4-oxo-3-sulphonatobutyrate,disodium 4-(octadec-9-en-1-ylamino)-4-oxo-3-sulfonatobutanoate,[Na+].[Na+].CCCCCCCC\\C=C/CCCCCCCCNC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCC\C=C/CCCCCCCCNC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(26)20(19-21(24)25)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,26)(H,24,25)(H,27,28,29);;/q;2*+1/p-2",C22H41NO6S.2Na,,,,,,BRYCLDFAKDCALQ-XXAVUKJNSA-L,,,,,,,,,,,
100.056.042,261-666-8,59222-96-7,Ethyl o-toluenesulphonate,ethyl 2-methylbenzenesulfonate,CCOS(=O)(=O)c1ccccc1C,CCOS(=O)(=O)c1ccccc1C,"InChI=1/C9H12O3S/c1-3-12-13(10,11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",C9H12O3S,,,,,,LQCJGDKXBVRTKR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.045,261-669-4,59229-75-3,"4-nitro-2,6-toluenediamine","2-methyl-5-nitrobenzene-1,3-diamine",Cc1c(N)cc(cc1N)[N+](=O)[O-],Cc1c(N)cc(cc1N)[N+](=O)[O-],"InChI=1/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3",C7H9N3O2,,,,,,SPOWAUDUGZVURQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.792,262-492-5,60864-53-1,"9ß,11a-epoxy-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)","6-fluoro-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@@H]5C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@@H]5C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,"InChI=1/C26H31FO7/c1-13-8-17-18-10-20(27)19-9-16(30)6-7-23(19,4)26(18)22(34-26)11-24(17,5)25(13,33-15(3)29)21(31)12-32-14(2)28/h6-7,9,13,17-18,20,22H,8,10-12H2,1-5H3",C26H31FO7,,,,,,JGVCYVYSMAZREV-UMVDDQILSA-N,,,,,,,,,,,
100.056.794,262-494-6,60864-55-3,"6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione","6,9-difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione",C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-2H3",C21H26F2O5,,,,,,ABUISBDTYAZRHY-RNZUFMPVSA-N,,,,,,,,,,,
100.056.805,262-505-4,60869-70-7,4-(ethylamino)-3-methylbenzenediazonium tetrachlorozincate (2:1),bis[4-(ethylamino)-3-methylbenzenediazonium] tetrachlorozincate(2-),CCNc1ccc(cc1C)[N+]#N.CCNc2ccc(cc2C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCNc1ccc(cc1C)[N+]#N.CCNc2ccc(cc2C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C9H12N3.4ClH.Zn/c2*1-3-11-9-5-4-8(12-10)6-7(9)2;;;;;/h2*4-6,11H,3H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H12N3.Cl4Zn/c2*1-3-11-9-5-4-8(12-10)6-7(9)2;1-5(2,3)4/h2*4-6,11H,3H2,1-2H3;/q2*+1;-2",C9H12N3.1/2Cl4Zn,,,,,,CGRMKKKNVRSBJX-UHFFFAOYSA-J,,,,,,,,,,,
100.056.806,262-507-5,60871-05-8,a-[(2-nitrophenyl)azo]-1H-benzimidazole-2-acetamide,2-(1H-benzimidazol-2-yl)-2-[(2-nitrophenyl)diazenyl]acetamide,[O-][N+](=O)c3ccccc3N=NC(c1nc2ccccc2n1)C(N)=O,[O-][N+](=O)c3ccccc3N=NC(c1nc2ccccc2n1)C(N)=O,"InChI=1/C15H12N6O3/c16-14(22)13(15-17-9-5-1-2-6-10(9)18-15)20-19-11-7-3-4-8-12(11)21(23)24/h1-8,13H,(H2,16,22)(H,17,18)",C15H12N6O3,,,,,,UJLHDEXRNCZGJN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.811,262-512-2,60878-87-7,"2-(2-anilinovinyl)-4,5-dihydro-3-methylthiazolium iodide","2-(2-anilinovinyl)-3-methyl-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].C[N+]1=C(SCC1)\\C=C\\Nc2ccccc2,[I-].C[N+]1=C(SCC1)\C=C\Nc2ccccc2,"InChI=1/C12H14N2S.HI/c1-14-9-10-15-12(14)7-8-13-11-5-3-2-4-6-11;/h2-8H,9-10H2,1H3;1H",C12H15N2S.I,,,,,,QXWBFLXDKHKGKY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.812,262-513-8,60883-72-9,2-(diethylamino)ethyl 3-(p-methoxyphenyl)-2-phenylpropionate,2-(diethylamino)ethyl 3-(4-methoxyphenyl)-2-phenylpropanoate,CCN(CC)CCOC(=O)C(Cc1ccc(OC)cc1)c2ccccc2,CCN(CC)CCOC(=O)C(Cc1ccc(OC)cc1)c2ccccc2,"InChI=1/C22H29NO3/c1-4-23(5-2)15-16-26-22(24)21(19-9-7-6-8-10-19)17-18-11-13-20(25-3)14-12-18/h6-14,21H,4-5,15-17H2,1-3H3",C22H29NO3,,,,,,CQPQMXYPCFOBJF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.813,262-514-3,60883-73-0,"(3ß,17ß)-17-hydroxy-17-methylandrost-5-ene-3-ol propionate",17-hydroxy-17-methylandrost-5-en-3-yl propionate,CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CC=C2C1,CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CC=C2C1,"InChI=1/C23H36O3/c1-5-20(24)26-16-8-11-21(2)15(14-16)6-7-17-18(21)9-12-22(3)19(17)10-13-23(22,4)25/h6,16-19,25H,5,7-14H2,1-4H3",C23H36O3,,,,,,YAZVIHSCBXWIRW-ZGIWMXSJSA-N,,,,,,,,,,,
100.056.815,262-516-4,60892-57-1,"2-bromo-6ß-fluoro-21-hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate","2-bromo-6-fluoro-3,20-dioxopregna-1,4,9(11),16-tetraen-21-yl acetate",CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]12C)Br,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]12C)Br,"InChI=1/C23H24BrFO4/c1-12(26)29-11-21(28)16-5-4-14-13-8-19(25)17-9-20(27)18(24)10-23(17,3)15(13)6-7-22(14,16)2/h5-6,9-10,13-14,19H,4,7-8,11H2,1-3H3",C23H24BrFO4,,,,,,XKZWOGXOACFWQZ-CKCVXRQJSA-N,,,,,,,,,,,
100.056.818,262-520-6,60899-29-8,"1-ethyl-1,3,3-trimethylindan","1-ethyl-1,3,3-trimethylindane",CCC1(C)CC(C)(C)c2ccccc12,CCC1(C)CC(C)(C)c2ccccc12,"InChI=1/C14H20/c1-5-14(4)10-13(2,3)11-8-6-7-9-12(11)14/h6-9H,5,10H2,1-4H3",C14H20,,,,,,VAGHKHBGEGOUMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.820,262-522-7,60903-69-7,Lanthanum(3+) octanoate,lanthanum trioctanoate,[La+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[La+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/3C8H16O2.La/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3La,,,,,,NFGMTENHSQDVJW-UHFFFAOYSA-K,,,,,,,,,,,
100.056.828,262-531-6,60940-88-7,"Ethyl cis-2-(2,2-dichlorovinyl)-3,3-dimethylcyclopropanecarboxylate","ethyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CCOC(=O)C1C(C=C(Cl)Cl)C1(C)C,CCOC(=O)C1C(C=C(Cl)Cl)C1(C)C,"InChI=1/C10H14Cl2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3",C10H14Cl2O2,,,,,,QPTWKDNRYCGMJM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.831,262-534-2,60948-91-6,2-hexyloctanoic acid,2-hexyloctanoic acid,CCCCCCC(CCCCCC)C(=O)O,CCCCCCC(CCCCCC)C(=O)O,"InChI=1/C14H28O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)",C14H28O2,,,,,,SQPZLZZLAPHSPL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.569,251-242-0,32818-96-5,4-methoxy-4-methylpentan-2-one tert-butylhydrazone,"1-tert-butyl-2-(3-methoxy-1,3-dimethylbutylidene)hydrazine",CC(C)(C)NN=C(C)CC(C)(C)OC,CC(C)(C)NN=C(C)CC(C)(C)OC,"InChI=1/C11H24N2O/c1-9(8-11(5,6)14-7)12-13-10(2,3)4/h13H,8H2,1-7H3",C11H24N2O,,,,,,KRDQQXKTOUOFLE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.570,251-243-6,32819-21-9,"3,3-dichlorodihydro-5-methylfuran-2(3H)-one","3,3-dichloro-5-methyldihydrofuran-2(3H)-one",CC1CC(Cl)(Cl)C(=O)O1,CC1CC(Cl)(Cl)C(=O)O1,"InChI=1/C5H6Cl2O2/c1-3-2-5(6,7)4(8)9-3/h3H,2H2,1H3",C5H6Cl2O2,,,,,,SCMRBPZKZXBCSP-UHFFFAOYSA-N,,,,,,,,,,,
100.036.386,240-041-3,15901-42-5,"3,3,5-trimethylcyclohexylamine","3,3,5-trimethylcyclohexanamine",CC1CC(N)CC(C)(C)C1,CC1CC(N)CC(C)(C)C1,"InChI=1/C9H19N/c1-7-4-8(10)6-9(2,3)5-7/h7-8H,4-6,10H2,1-3H3",C9H19N,,,,,,ZGMQLPDXPUINCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.387,240-042-9,15904-24-2,"Tetrahydro-4-isopropyl-5,5-dimethyl-1H-pyrimidin-2-one","4-isopropyl-5,5-dimethyltetrahydropyrimidin-2(1H)-one",CC(C)C1NC(=O)NCC1(C)C,CC(C)C1NC(=O)NCC1(C)C,"InChI=1/C9H18N2O/c1-6(2)7-9(3,4)5-10-8(12)11-7/h6-7H,5H2,1-4H3,(H2,10,11,12)",C9H18N2O,,,,,,IHHDKPLQNIJYFX-UHFFFAOYSA-N,,,,,,,,,,,
100.036.389,240-045-5,15905-18-7,Methyl nicotinate 1-oxide,methyl nicotinate 1-oxide,COC(=O)c1ccc[n+]([O-])c1,COC(=O)c1ccc[n+]([O-])c1,"InChI=1/C7H7NO3/c1-11-7(9)6-3-2-4-8(10)5-6/h2-5H,1H3",C7H7NO3,,,,,,RVBKAFFMAQAFGK-UHFFFAOYSA-N,,,,,,,,,,,
100.036.390,240-046-0,15905-32-5,"3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I,Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I,"InChI=1/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H",C20H8I4O5,,,,,,OALHHIHQOFIMEF-UHFFFAOYSA-N,,,,,,,,,,,
100.036.399,240-056-5,15912-75-1,Triphenylpropylphosphonium,triphenyl(propyl)phosphonium,CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C21H22P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1",C21H22P,,,,,,MSXNDXIAUQJHNS-UHFFFAOYSA-N,,,,,,,,,,,
100.036.400,240-057-0,15912-94-4,Glucose 6-(calcium phosphate),"[6-O-(phosphono-kappa~2~O,O')hexopyranosato(2-)]calcium",OC1OC(COP2(=O)O[Ca]O2)C(O)C(O)C1O,OC1OC(COP2(=O)O[Ca]O2)C(O)C(O)C1O,"InChI=1/C6H13O9P.Ca/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+2/p-2/rC6H11CaO9P/c8-3-2(1-13-17(12)15-7-16-17)14-6(11)5(10)4(3)9/h2-6,8-11H,1H2",C6H13O9P.Ca,,,,,,BKIJLUBQMDRPKY-UHFFFAOYSA-L,,,,,,,,,,,
100.036.407,240-064-9,15928-94-6,4-[benzyl(methyl)amino]-2-chloro-5-methoxybenzenediazonium tetrachlorozincate (2:1),bis{4-[benzyl(methyl)amino]-2-chloro-5-methoxybenzenediazonium} tetrachlorozincate(2-),COc1cc([N+]#N)c(Cl)cc1N(C)Cc2ccccc2.COc3cc([N+]#N)c(Cl)cc3N(C)Cc4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,COc1cc([N+]#N)c(Cl)cc1N(C)Cc2ccccc2.COc3cc([N+]#N)c(Cl)cc3N(C)Cc4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C15H15ClN3O.4ClH.Zn/c2*1-19(10-11-6-4-3-5-7-11)14-8-12(16)13(18-17)9-15(14)20-2;;;;;/h2*3-9H,10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C15H15ClN3O.Cl4Zn/c2*1-19(10-11-6-4-3-5-7-11)14-8-12(16)13(18-17)9-15(14)20-2;1-5(2,3)4/h2*3-9H,10H2,1-2H3;/q2*+1;-2",C15H15ClN3O.1/2Cl4Zn,,,,,,BJXDNJABNOCABA-UHFFFAOYSA-J,,,,,,,,,,,
100.036.409,240-067-5,15930-66-2,3-(octyloxy)propylamine,3-(octyloxy)propan-1-amine,CCCCCCCCOCCCN,CCCCCCCCOCCCN,"InChI=1/C11H25NO/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-12H2,1H3",C11H25NO,,,,,,RDCAZFAKCIEASQ-UHFFFAOYSA-N,,,,,,,,,,,
100.036.412,240-070-1,15932-80-6,2-isopropylidene-5-methylcyclohexanone,2-isopropylidene-5-methylcyclohexanone,CC1CCC(=C(C)C)C(=O)C1,CC1CCC(=C(C)C)C(=O)C1,"InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3",C10H16O,,,,,,NZGWDASTMWDZIW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.420,240-079-0,15945-07-0,"2,4,5-trichlorobenzenesulphonyl chloride","2,4,5-trichlorobenzenesulfonyl chloride",Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Cl,Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Cl,"InChI=1/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H",C6H2Cl4O2S,,,,,,WNVVRCKTQSCPAC-UHFFFAOYSA-N,,,,,,,,,,,
100.036.421,240-080-6,15945-28-5,"Ethyl 3,5-dichloro-4-methoxybenzoate","ethyl 3,5-dichloro-4-methoxybenzoate",CCOC(=O)c1cc(Cl)c(OC)c(Cl)c1,CCOC(=O)c1cc(Cl)c(OC)c(Cl)c1,"InChI=1/C10H10Cl2O3/c1-3-15-10(13)6-4-7(11)9(14-2)8(12)5-6/h4-5H,3H2,1-2H3",C10H10Cl2O3,,,,,,VKISJJBQCWTCFE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.613,251-290-2,32915-77-8,5-chloro-1-ethyl-2-methyl-3-(2-morpholinoethyl)benzimidazolium chloride monohydrochloride,"6-chloro-3-ethyl-2-methyl-1-(2-morpholin-4-ylethyl)-1H-3,1-benzimidazol-3-ium chloride hydrochloride",Cl.[Cl-].CC[n+]1c(C)n(CCN2CCOCC2)c3cc(Cl)ccc13,Cl.[Cl-].CC[n+]1c(C)n(CCN2CCOCC2)c3cc(Cl)ccc13,"InChI=1/C16H23ClN3O.2ClH/c1-3-19-13(2)20(7-6-18-8-10-21-11-9-18)16-12-14(17)4-5-15(16)19;;/h4-5,12H,3,6-11H2,1-2H3;2*1H/q+1;;/p-1",C16H23ClN3O.ClH.Cl,,,,,,JUEFYBNIGJLDAX-UHFFFAOYSA-M,,,,,,,,,,,
100.046.619,251-297-0,32919-04-3,Benzyl tribromoacetate,benzyl tribromoacetate,BrC(Br)(Br)C(=O)OCc1ccccc1,BrC(Br)(Br)C(=O)OCc1ccccc1,"InChI=1/C9H7Br3O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5H,6H2",C9H7Br3O2,,,,,,JYMUNLHUZAPKLC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.757,251-449-6,33305-75-8,Ethyl L-prolinate hydrochloride,ethyl L-prolinate hydrochloride,Cl.CCOC(=O)[C@@H]1CCCN1,Cl.CCOC(=O)[C@@H]1CCCN1,"InChI=1/C7H13NO2.ClH/c1-2-10-7(9)6-4-3-5-8-6;/h6,8H,2-5H2,1H3;1H",C7H13NO2.ClH,,,,,,DUJGQVVONTYHLT-RGMNGODLSA-N,,,,,,,,,,,
100.046.767,251-460-6,33331-59-8,"Ethyl 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate","ethyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate",CCOC(=O)C1=CN(CC)c2nc(C)ccc2C1=O,CCOC(=O)C1=CN(CC)c2nc(C)ccc2C1=O,"InChI=1/C14H16N2O3/c1-4-16-8-11(14(18)19-5-2)12(17)10-7-6-9(3)15-13(10)16/h6-8H,4-5H2,1-3H3",C14H16N2O3,,,,,,WZPCSVBNEQYORT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.173,267-311-3,67845-40-3,"26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl acetate","26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl acetate",CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C)cc1,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C)cc1,"InChI=1/C35H62O11/c1-3-4-5-6-7-8-9-10-34-11-13-35(14-12-34)46-32-30-44-28-26-42-24-22-40-20-18-38-16-15-37-17-19-39-21-23-41-25-27-43-29-31-45-33(2)36/h11-14H,3-10,15-32H2,1-2H3",C35H62O11,,,,,,WSRIFSCIMSMXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.175,267-313-4,67845-43-6,"3,6,9,12,15,18-hexoxaoctacosyl hydrogen maleate","4-oxo-5,8,11,14,17,20,23-heptaoxatritriacont-2-en-1-oic acid",CCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)\\C=C/C(=O)O,CCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)\C=C/C(=O)O,"InChI=1/C26H48O10/c1-2-3-4-5-6-7-8-9-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23-24-36-26(29)11-10-25(27)28/h10-11H,2-9,12-24H2,1H3,(H,27,28)",C26H48O10,,,,,,LNXMOXFFLALVDY-KHPPLWFESA-N,,,,,,,,,,,
100.061.176,267-315-5,67845-44-7,"3,7-decadien-1-ol","deca-3,7-dien-1-ol",CCC=CCCC=CCCO,CCC=CCCC=CCCO,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3",C10H18O,,,,,,NANOXXPHSWMTGR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.178,267-317-6,67845-46-9,(4-methylphenoxy)acetaldehyde,(4-methylphenoxy)acetaldehyde,Cc1ccc(OCC=O)cc1,Cc1ccc(OCC=O)cc1,"InChI=1/C9H10O2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-6H,7H2,1H3",C9H10O2,,,,,,KWNAUDMYKHHEOA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.319,261-971-6,59884-42-3,N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide,N-{4-[ethyl(2-hydroxyethyl)amino]phenyl}acetamide,CCN(CCO)c1ccc(NC(=O)C)cc1,CCN(CCO)c1ccc(NC(=O)C)cc1,"InChI=1/C12H18N2O2/c1-3-14(8-9-15)12-6-4-11(5-7-12)13-10(2)16/h4-7,15H,3,8-9H2,1-2H3,(H,13,16)",C12H18N2O2,,,,,,INEGKZLIDJIKES-UHFFFAOYSA-N,,,,,,,,,,,
100.056.325,261-977-9,59897-94-8,"Methyl trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",COC(=O)C1C(C=C(Cl)Cl)C1(C)C,COC(=O)C1C(C=C(Cl)Cl)C1(C)C,"InChI=1/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3",C9H12Cl2O2,,,,,,QJOOIMSFFIUFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.329,261-982-6,59907-13-0,2-bromo-3-fluorotoluene,2-bromo-1-fluoro-3-methylbenzene,Cc1cccc(F)c1Br,Cc1cccc(F)c1Br,"InChI=1/C7H6BrF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3",C7H6BrF,,,,,,FYCXRRYRNRDSRM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.333,261-986-8,59936-53-7,"Tetracosane-8,17-diamine","tetracosane-8,17-diamine",CCCCCCCC(N)CCCCCCCCC(N)CCCCCCC,CCCCCCCC(N)CCCCCCCCC(N)CCCCCCC,"InChI=1/C24H52N2/c1-3-5-7-11-15-19-23(25)21-17-13-9-10-14-18-22-24(26)20-16-12-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3",C24H52N2,,,,,,YQIBIVKPZIOLTN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.340,261-994-1,59960-28-0,Sodium 5-ethyl-1-phenylbarbiturate,"sodium 5-ethyl-4,6-dioxo-1-phenyl-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1C(=O)N=C([O-])N(C1=O)c2ccccc2,[Na+].CCC1C(=O)N=C([O-])N(C1=O)c2ccccc2,"InChI=1/C12H12N2O3.Na/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;/h3-7,9H,2H2,1H3,(H,13,15,17);/q;+1/p-1",C12H12N2O3.Na,,,,,,PAQBSHLZZLQUKS-UHFFFAOYSA-M,,,,,,,,,,,
100.056.347,262-001-4,59969-87-8,"1-amino-4-[(4-chloro-3-sulphophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-chloro-3-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cl)c(c4)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cl)c(c4)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C20H13ClN2O8S2/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,22H2,(H,26,27,28)(H,29,30,31)",C20H13ClN2O8S2,,,,,,KGIBPJBSPMINCA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.348,262-003-5,59970-59-1,2-mercaptoethyl 3-mercaptopropionate,2-sulfanylethyl 3-sulfanylpropanoate,SCCOC(=O)CCS,SCCOC(=O)CCS,"InChI=1/C5H10O2S2/c6-5(1-3-8)7-2-4-9/h8-9H,1-4H2",C5H10O2S2,,,,,,ROKHJQGWQDMQSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.349,262-004-0,59970-88-6,"Disodium 2-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulphonate","disodium 2-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-1,5-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc1c2ccccc2ccc1O)c3S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc1c2ccccc2ccc1O)c3S([O-])(=O)=O,"InChI=1/C20H14N2O7S2.2Na/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H14N2O7S2.2Na,,,,,,AZMFCRZJELRHQH-UHFFFAOYSA-L,,,,,,,,,,,
100.056.352,262-007-7,59978-64-2,"Aluminium, compound with strontium (1:1)",aluminum - strontium (1:1),[AlH3].[SrH2],[AlH3].[SrH2],InChI=1/Al.Sr.5H/q+3;+2;;;;;/rAlH3.H2Sr/h1H3;1H2/q+3;+2,Al.Sr,,,,,,GOYAOKWHSPJJQV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.357,262-012-4,59989-20-7,"7-acetyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 6-amino-2-methylheptan-2-ol (1:1)","7-acetyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - 6-amino-2-methylheptan-2-ol (1:1)",CC(N)CCCC(C)(C)O.CN1C(=O)N(C)c2ncn(C(=O)C)c2C1=O,CC(N)CCCC(C)(C)O.CN1C(=O)N(C)c2ncn(C(=O)C)c2C1=O,"InChI=1/C9H10N4O3.C8H19NO/c1-5(14)13-4-10-7-6(13)8(15)12(3)9(16)11(7)2;1-7(9)5-4-6-8(2,3)10/h4H,1-3H3;7,10H,4-6,9H2,1-3H3",C9H10N4O3.C8H19NO,,,,,,LJMXVGHKQJDECE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.939,263-753-6,62899-75-6,Cyclohexylethylcarbamoyl chloride,cyclohexyl(ethyl)carbamic chloride,CCN(C1CCCCC1)C(=O)Cl,CCN(C1CCCCC1)C(=O)Cl,"InChI=1/C9H16ClNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3",C9H16ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12832,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.939,ONKIPJDBUYZQMP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.958,263-774-0,62967-70-8,"1-(4,4-diethoxybutyl)piperidin-2-one","1-(4,4-diethoxybutyl)piperidin-2-one",CCOC(CCCN1CCCCC1=O)OCC,CCOC(CCCN1CCCCC1=O)OCC,"InChI=1/C13H25NO3/c1-3-16-13(17-4-2)9-7-11-14-10-6-5-8-12(14)15/h13H,3-11H2,1-2H3",C13H25NO3,,,,,,JTKDORYHWJDUAS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.961,263-777-7,62973-77-7,"cis-1-[[4-(allyloxy)methyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-imidazole monohydrochloride","1-({4-[(allyloxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl}methyl)-1H-imidazole hydrochloride",Cl.Clc1ccc(c(Cl)c1)C2(Cn3ccnc3)OCC(COCC=C)O2,Cl.Clc1ccc(c(Cl)c1)C2(Cn3ccnc3)OCC(COCC=C)O2,"InChI=1/C17H18Cl2N2O3.ClH/c1-2-7-22-9-14-10-23-17(24-14,11-21-6-5-20-12-21)15-4-3-13(18)8-16(15)19;/h2-6,8,12,14H,1,7,9-11H2;1H",C17H16Cl2N2O3.ClH,,,,,,MWAOBTXTXUNTAC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.969,263-786-6,63004-24-0,N-(2-bromoethyl)-2-nitrobenzamide,N-(2-bromoethyl)-2-nitrobenzamide,[O-][N+](=O)c1ccccc1C(=O)NCCBr,[O-][N+](=O)c1ccccc1C(=O)NCCBr,"InChI=1/C9H9BrN2O3/c10-5-6-11-9(13)7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,11,13)",C9H9BrN2O3,,,,,,VNYZLKGRVHTMIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.371,265-328-0,65057-34-3,"N-(tert-butoxycarbonyl)-1-(p-tosyl)-L-histidine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-1-[(4-methylphenyl)sulfonyl]-L-histidine - N-cyclohexylcyclohexanamine (1:1),Cc1ccc(cc1)S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c2.C3CCC(CC3)NC4CCCCC4,Cc1ccc(cc1)S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c2.C3CCC(CC3)NC4CCCCC4,"InChI=1/C18H23N3O6S.C12H23N/c1-12-5-7-14(8-6-12)28(25,26)21-10-13(19-11-21)9-15(16(22)23)20-17(24)27-18(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,10-11,15H,9H2,1-4H3,(H,20,24)(H,22,23);11-13H,1-10H2",C18H23N3O6S.C12H23N,,,,,,RNRUVXUHYUOWJW-RSAXXLAASA-N,,,,,,,,,,,
100.061.900,268-110-3,68003-14-5,"6-(diethylamino)-1,3,5-triazine-2,4-disulphenamide","4,6-bis(aminosulfanyl)-N,N-diethyl-1,3,5-triazin-2-amine",CCN(CC)c1nc(SN)nc(SN)n1,CCN(CC)c1nc(SN)nc(SN)n1,"InChI=1/C7H14N6S2/c1-3-13(4-2)5-10-6(14-8)12-7(11-5)15-9/h3-4,8-9H2,1-2H3",C7H14N6S2,,,,,,GTFMKVOQSNCACD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.902,268-112-4,68003-18-9,Tetradecenedisulphonic acid,"tetradec-1-ene-1,1-disulfonic acid",CCCCCCCCCCCCC=C(S(=O)(=O)O)S(=O)(=O)O,CCCCCCCCCCCCC=C(S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C14H28O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(21(15,16)17)22(18,19)20/h13H,2-12H2,1H3,(H,15,16,17)(H,18,19,20)",C14H28O6S2,,,,,,UZKKYTJXENRDFX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.905,268-116-6,68003-31-6,"Disodium 4,4'-bis[[6-anilino-4-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].OCCOCCOc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(OCCOCCO)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].OCCOCCOc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(OCCOCCO)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C40H42N10O12S2.2Na/c51-17-19-59-21-23-61-39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(53,54)55)11-12-28-14-16-32(26-34(28)64(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)62-24-22-60-20-18-52;;/h1-16,25-26,51-52H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2",C40H42N10O12S2.2Na,,,,,,MKLYTFDXGWSGPM-YHPRVSEPSA-L,,,,,,,,,,,
100.061.907,268-118-7,68003-34-9,"5-[[(8-hydroxy-3,6-disulpho-1-naphthyl)amino]sulphonyl]salicylic acid","2-hydroxy-5-[(8-hydroxy-3,6-disulfo-1-naphthyl)sulfamoyl]benzoic acid",OC(=O)c1cc(ccc1O)S(=O)(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,OC(=O)c1cc(ccc1O)S(=O)(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H13NO12S3/c19-14-2-1-9(5-12(14)17(21)22)31(23,24)18-13-6-10(32(25,26)27)3-8-4-11(33(28,29)30)7-15(20)16(8)13/h1-7,18-20H,(H,21,22)(H,25,26,27)(H,28,29,30)",C17H13NO12S3,,,,,,SUPLBSNCTGFNKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.781,266-880-5,67674-41-3,Benzyl 2-methyl-2-butenoate,benzyl 2-methylbut-2-enoate,CC(=CC)C(=O)OCc1ccccc1,CC(=CC)C(=O)OCc1ccccc1,"InChI=1/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3",C12H14O2,,,,,,QRGSTISKDZCDHV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.794,266-894-1,67674-54-8,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]nonanamide monoacetate,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)nonanamide acetate,CCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,CCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,"InChI=1/C17H39N5O.C2H4O2/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18;1-2(3)4/h19-21H,2-16,18H2,1H3,(H,22,23);1H3,(H,3,4)",C17H39N5O.C2H4O2,,,,,,XJVKALZHUBOMKI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.799,266-899-9,67674-59-3,N-[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]stearamide monohydrochloride,N-(2-{[3-(trimethoxysilyl)propyl]amino}ethyl)octadecanamide hydrochloride,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCNCCC[Si](OC)(OC)OC,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCNCCC[Si](OC)(OC)OC,"InChI=1/C26H56N2O4Si.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(29)28-24-23-27-22-20-25-33(30-2,31-3)32-4;/h27H,5-25H2,1-4H3,(H,28,29);1H",C26H56N2O4Si.ClH,,,,,,ANFRJSJPTKQAGX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.580,251-254-6,32837-75-5,Trimethyl[2-(sulphinatooxy)ethyl]ammonium,{[2-(trimethylammonio)ethoxy]sulfinyl}oxidanide,C[N+](C)(C)CCOS(=O)[O-],C[N+](C)(C)CCOS(=O)[O-],"InChI=1/C5H13NO3S/c1-6(2,3)4-5-9-10(7)8/h4-5H2,1-3H3",C5H13NO3S,,,,,,LHYMGTWTJKPBRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.582,251-256-7,32844-67-0,Isohexadecanoic acid,14-methylpentadecanoic acid,CC(C)CCCCCCCCCCCCC(=O)O,CC(C)CCCCCCCCCCCCC(=O)O,"InChI=1/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)",C16H32O2,,,,,,ZONJATNKKGGVSU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.584,251-258-8,32850-35-4,"3,3'-(ethylenedioxy)dipropane-1,2-diol","3,3'-[ethane-1,2-diylbis(oxy)]dipropane-1,2-diol",OCC(O)COCCOCC(O)CO,OCC(O)COCCOCC(O)CO,"InChI=1/C8H18O6/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-12H,1-6H2",C8H18O6,,,,,,QLKSFCHONRVCOU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.591,251-266-1,32861-85-1,"2,4-dichlorophenyl 3-methoxy-4-nitrophenyl ether","2,4-dichloro-1-(3-methoxy-4-nitrophenoxy)benzene",COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],"InChI=1/C13H9Cl2NO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3",C13H9Cl2NO4,,,,,,DXXVCXKMSWHGTF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.592,251-267-7,32862-97-8,m-bromocinnamic acid,3-(3-bromophenyl)acrylic acid,OC(=O)\\C=C\\c1cccc(Br)c1,OC(=O)\C=C\c1cccc(Br)c1,"InChI=1/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)",C9H7BrO2,,,,,,YEMUSDCFQUBPAL-SNAWJCMRSA-N,,,,,,,,,,,
100.046.594,251-269-8,32864-38-3,tert-butyl ethyl malonate,tert-butyl ethyl malonate,CCOC(=O)CC(=O)OC(C)(C)C,CCOC(=O)CC(=O)OC(C)(C)C,"InChI=1/C9H16O4/c1-5-12-7(10)6-8(11)13-9(2,3)4/h5-6H2,1-4H3",C9H16O4,,,,,,OCOBFMZGRJOSOU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.598,251-274-5,32873-14-6,"[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-1,6-cyclohexyl anthranilate","6-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]hexyl 2-aminobenzoate",Nc1ccccc1C(=O)OCCCCCCOc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N,Nc1ccccc1C(=O)OCCCCCCOc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N,"InChI=1/C27H26N2O6/c28-19-12-6-5-11-18(19)27(33)35-14-8-2-1-7-13-34-21-15-20(30)22-23(24(21)29)26(32)17-10-4-3-9-16(17)25(22)31/h3-6,9-12,15,30H,1-2,7-8,13-14,28-29H2",C27H26N2O6,,,,,,LNGCJIMMQCMQFL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.600,251-276-6,32886-97-8,Pivmecillinam,"[(2,2-dimethylpropanoyl)oxy]methyl 6-[(azepan-1-ylmethylene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",O=C(OCOC(=O)C(C)(C)C)[C@@H]2N3C(=O)[C@@H](N=CN1CCCCCC1)[C@H]3SC2(C)C,O=C(OCOC(=O)C(C)(C)C)[C@@H]2N3C(=O)[C@@H](N=CN1CCCCCC1)[C@H]3SC2(C)C,"InChI=1/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3",C21H33N3O5S,,,,,,NPGNOVNWUSPMDP-HLLBOEOZSA-N,,,,,,,,,,,
100.046.606,251-282-9,32895-16-2,1-(dimethoxymethyl)hexahydro-1H-azepine,1-(dimethoxymethyl)azepane,COC(OC)N1CCCCCC1,COC(OC)N1CCCCCC1,"InChI=1/C9H19NO2/c1-11-9(12-2)10-7-5-3-4-6-8-10/h9H,3-8H2,1-2H3",C9H19NO2,,,,,,LNCAEXDPLKQRAU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.608,251-285-5,32900-06-4,1-butyl-3-ethylthiourea,1-butyl-3-ethylthiourea,CCCCNC(=S)NCC,CCCCNC(=S)NCC,"InChI=1/C7H16N2S/c1-3-5-6-9-7(10)8-4-2/h3-6H2,1-2H3,(H2,8,9,10)",C7H16N2S,,,,,,HZSRFLLZMWDVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.609,251-286-0,32900-09-7,1-allyl-3-ethylthiourea,1-allyl-3-ethylthiourea,CCNC(=S)NCC=C,CCNC(=S)NCC=C,"InChI=1/C6H12N2S/c1-3-5-8-6(9)7-4-2/h3H,1,4-5H2,2H3,(H2,7,8,9)",C6H12N2S,,,,,,MMNIUSWSBKDYQT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.610,251-287-6,32905-75-2,"N,N,2,2,4,4-hexamethylpentylamine","N,N,2,2,4,4-hexamethylpentan-1-amine",CN(C)CC(C)(C)CC(C)(C)C,CN(C)CC(C)(C)CC(C)(C)C,"InChI=1/C11H25N/c1-10(2,3)8-11(4,5)9-12(6)7/h8-9H2,1-7H3",C11H25N,,,,,,WSXNTFRNRURORJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.537,257-809-9,52279-00-2,"2,2,6-trimethylhept-5-enal","2,2,6-trimethylhept-5-enal",CC(=CCCC(C)(C)C=O)C,CC(=CCCC(C)(C)C=O)C,"InChI=1/C10H18O/c1-9(2)6-5-7-10(3,4)8-11/h6,8H,5,7H2,1-4H3",C10H18O,,,,,,IHUYETNQLCGWSV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.538,257-810-4,52279-57-9,17ß-hydroxyestr-4-en-3-one 17-[3-[4-(hexyloxy)phenyl]propionate],3-oxoestr-4-en-17-yl 3-[4-(hexyloxy)phenyl]propanoate,CCCCCCOc1ccc(CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@]23C)cc1,CCCCCCOc1ccc(CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@]23C)cc1,"InChI=1/C33H46O4/c1-3-4-5-6-21-36-26-12-7-23(8-13-26)9-18-32(35)37-31-17-16-30-29-14-10-24-22-25(34)11-15-27(24)28(29)19-20-33(30,31)2/h7-8,12-13,22,27-31H,3-6,9-11,14-21H2,1-2H3",C33H46O4,,,,,,PQKRYXHYWWQULJ-JMKYFRMNSA-N,,,,,,,,,,,
100.052.540,257-813-0,52286-56-3,Potassium octylbenzenesulphonate,potassium 2-octylbenzenesulfonate,[K+].CCCCCCCCc1ccccc1S(=O)(=O)[O-],[K+].CCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C14H22O3S.K/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18(15,16)17;/h8-9,11-12H,2-7,10H2,1H3,(H,15,16,17);/q;+1/p-1",C14H22O3S.K,,,,,,LHRDALCSHPMGJN-UHFFFAOYSA-M,,,,,,,,,,,
100.046.771,251-464-8,33347-85-2,"p-nitrophenyl dihydrogen phosphate, compound with pyridine (1:1)",4-nitrophenyl dihydrogen phosphate - pyridine (1:1),[O-][N+](=O)c1ccc(OP(O)(=O)O)cc1.c1ccccn1,[O-][N+](=O)c1ccc(OP(O)(=O)O)cc1.c1ccccn1,"InChI=1/C6H6NO6P.C5H5N/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;1-2-4-6-5-3-1/h1-4H,(H2,10,11,12);1-5H",C6H6NO6P.C5H5N,,,,,,AXOOQNKIYRASAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.777,251-471-6,33369-28-7,"3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid","2-(carboxymethyl)-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid",Cc1c(C(=O)O)c(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2,Cc1c(C(=O)O)c(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2,"InChI=1/C16H14ClNO5/c1-8-13(16(22)23)11(7-12(19)20)18(2)14(8)15(21)9-3-5-10(17)6-4-9/h3-6H,7H2,1-2H3,(H,19,20)(H,22,23)",C16H14ClNO5,,,,,,DPCBHULRLBCPAE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.580,257-857-0,52336-55-7,Triammonium triiron tetracitrate,triammonium triiron tetracitrate,[NH4+].[NH4+].[NH4+].[Fe+3].[Fe+3].[Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,[NH4+].[NH4+].[NH4+].[Fe+3].[Fe+3].[Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1/4C6H8O7.3Fe.3H3N/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;3*1H3/q;;;;3*+3;;;/p-9",C6H8O7.3/4Fe.3/4H3N,,,,,,AUALKMYBYGCYNY-UHFFFAOYSA-E,,,,,,,,,,,
100.052.593,257-871-7,52363-24-3,"2,2,3-trimethylcyclopentaneethanol","2-(2,2,3-trimethylcyclopentyl)ethanol",CC1CCC(CCO)C1(C)C,CC1CCC(CCO)C1(C)C,"InChI=1/C10H20O/c1-8-4-5-9(6-7-11)10(8,2)3/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,RKGJMEVXZSTOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.595,257-873-8,52363-43-6,Decyl hexanoate,decyl hexanoate,CCCCCCCCCCOC(=O)CCCCC,CCCCCCCCCCOC(=O)CCCCC,"InChI=1/C16H32O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h3-15H2,1-2H3",C16H32O2,,,,,,QNKHVQVPARQEKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.596,257-874-3,52364-70-2,"4'-(2-methylbutoxy)[1,1'-biphenyl]-4-carbonitrile",4'-(2-methylbutoxy)biphenyl-4-carbonitrile,CCC(C)COc1ccc(cc1)c2ccc(cc2)C#N,CCC(C)COc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C18H19NO/c1-3-14(2)13-20-18-10-8-17(9-11-18)16-6-4-15(12-19)5-7-16/h4-11,14H,3,13H2,1-2H3",C18H19NO,,,,,,WBUQBWQWNDKJJR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.602,257-881-1,52366-88-8,4-methylcyclohexyl methacrylate,4-methylcyclohexyl methacrylate,CC1CCC(CC1)OC(=O)C(=C)C,CC1CCC(CC1)OC(=O)C(=C)C,"InChI=1/C11H18O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h9-10H,1,4-7H2,2-3H3",C11H18O2,,,,,,IWVNGOKOJNZZKX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.604,257-883-2,52371-97-8,6-amino-5-[[2-sulpho-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1-sulphonic acid,6-amino-5-[(2-sulfo-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)OCCS(=O)(=O)c3ccc(N=Nc1c2cccc(c2ccc1N)S(O)(=O)=O)c(c3)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c3ccc(N=Nc1c2cccc(c2ccc1N)S(O)(=O)=O)c(c3)S(O)(=O)=O,"InChI=1/C18H17N3O12S4/c19-14-6-5-12-13(2-1-3-16(12)35(24,25)26)18(14)21-20-15-7-4-11(10-17(15)36(27,28)29)34(22,23)9-8-33-37(30,31)32/h1-7,10H,8-9,19H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)",C18H17N3O12S4,,,,,,UICXRGMIUUBVMW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.605,257-884-8,52372-36-8,"3-(diethylamino)-7-oxo-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile","3-(diethylamino)-7-oxo-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile",CCN(CC)c1ccc2C=C3C(=C(C#N)C(=O)n4c3nc5ccccc45)Oc2c1,CCN(CC)c1ccc2C=C3C(=C(C#N)C(=O)n4c3nc5ccccc45)Oc2c1,"InChI=1/C23H18N4O2/c1-3-26(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)23(28)27-19-8-6-5-7-18(19)25-22(16)27/h5-12H,3-4H2,1-2H3",C23H18N4O2,,,,,,UTTFXJZCRVZYQF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.613,257-893-7,52392-24-2,"5-oxo-DL-proline, compound with dodecyl glycinate (1:1)",5-oxo-L-proline - dodecyl glycinate (1:1),CCCCCCCCCCCCOC(=O)CN.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCOC(=O)CN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C14H29NO2.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;7-4-2-1-3(6-4)5(8)9/h2-13,15H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C14H29NO2.C5H7NO3,,,,,,KBBGORFBXBQWIY-HVDRVSQOSA-N,,,,,,,,,,,
100.052.620,257-901-9,52411-33-3,"2,2'-(ethylenedithio)dianiline","2,2'-(ethane-1,2-diyldisulfanediyl)dianiline",Nc1ccccc1SCCSc2ccccc2N,Nc1ccccc1SCCSc2ccccc2N,"InChI=1/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2",C14H16N2S2,,,,,,BSYVFGQQLJNJJG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.622,257-904-5,52414-91-2,4-ethyl-5-methylthiazole,"4-ethyl-5-methyl-1,3-thiazole",CCc1ncsc1C,CCc1ncsc1C,"InChI=1/C6H9NS/c1-3-6-5(2)8-4-7-6/h4H,3H2,1-2H3",C6H9NS,,,,,,QCIOXFPPEGZRFY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.698,267-888-1,67952-35-6,"Oleic acid, compound with 1,1',1''-nitrilotri(propan-2-ol) (1:1)","octadec-9-enoic acid - 1,1',1''-nitrilotripropan-2-ol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O,CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O,"InChI=1/C18H34O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7(11)4-10(5-8(2)12)6-9(3)13/h9-10H,2-8,11-17H2,1H3,(H,19,20);7-9,11-13H,4-6H2,1-3H3",C18H34O2.C9H21NO3,,,,,,VUUJSBYSFYQULD-KVVVOXFISA-N,,,,,,,,,,,
100.056.360,262-016-6,59994-27-3,"2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one monohydrochloride","2-(4-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one hydrochloride",Cl.CC1=NN(C(=O)C1)c2ccc(N)cc2,Cl.CC1=NN(C(=O)C1)c2ccc(N)cc2,"InChI=1/C10H11N3O.ClH/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9;/h2-5H,6,11H2,1H3;1H",C10H11N3O.ClH,,,,,,HUVTUSZGKJGSDV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.362,262-018-7,60006-10-2,"N,N'-(2-methyl-1,3-phenylene)bis(pyrrolidine-1-carboxamide)","N,N'-(2-methyl-1,3-phenylene)dipyrrolidine-1-carboxamide",Cc1c(NC(=O)N2CCCC2)cccc1NC(=O)N3CCCC3,Cc1c(NC(=O)N2CCCC2)cccc1NC(=O)N3CCCC3,"InChI=1/C17H24N4O2/c1-13-14(18-16(22)20-9-2-3-10-20)7-6-8-15(13)19-17(23)21-11-4-5-12-21/h6-8H,2-5,9-12H2,1H3,(H,18,22)(H,19,23)",C17H24N4O2,,,,,,RZMKEDIOSRUTAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.366,262-022-9,60012-49-9,2-(2-chloroethyl)piperidinium chloride,2-(2-chloroethyl)piperidinium chloride,[Cl-].ClCCC1CCCC[NH2+]1,[Cl-].ClCCC1CCCC[NH2+]1,"InChI=1/C7H14ClN.ClH/c8-5-4-7-3-1-2-6-9-7;/h7,9H,1-6H2;1H",C7H14ClN.ClH,,,,,,ONZMGKDDADKPOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.367,262-023-4,60015-25-0,"Octahydro-4,7-methano-1H-indenetriol","octahydro-1H-4,7-methanoindene-1,1,2-triol",OC1CC2C3CCC(C3)C2C1(O)O,OC1CC2C3CCC(C3)C2C1(O)O,"InChI=1/C10H16O3/c11-8-4-7-5-1-2-6(3-5)9(7)10(8,12)13/h5-9,11-13H,1-4H2",C10H16O3,,,,,,MSVYFKULKOQBHT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.371,262-028-1,60029-23-4,"N-[2,2,2-trichloro-1-morpholinoethyl]formamide","N-(2,2,2-trichloro-1-morpholin-4-ylethyl)formamide",ClC(Cl)(Cl)C(NC=O)N1CCOCC1,ClC(Cl)(Cl)C(NC=O)N1CCOCC1,"InChI=1/C7H11Cl3N2O2/c8-7(9,10)6(11-5-13)12-1-3-14-4-2-12/h5-6H,1-4H2,(H,11,13)",C7H11Cl3N2O2,,,,,,IWWKIOTVAJOMJT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.372,262-029-7,60033-00-3,"4,4'-[(phenylmethylene)bis[(2,5-dimethyl-4,1-phenylene)azo]]bis[3-hydroxy-N-phenylnaphthalene-2-carboxamide]","4,4'-{(phenylmethylene)bis[(2,5-dimethyl-4,1-phenylene)diazene-2,1-diyl]}bis(3-hydroxy-N-phenyl-2-naphthamide)",O=C(Nc1ccccc1)c9cc2ccccc2c(N=Nc3cc(C)c(cc3C)C(c4ccccc4)c5cc(C)c(cc5C)N=Nc7c8ccccc8cc(C(=O)Nc6ccccc6)c7O)c9O,O=C(Nc1ccccc1)c9cc2ccccc2c(N=Nc3cc(C)c(cc3C)C(c4ccccc4)c5cc(C)c(cc5C)N=Nc7c8ccccc8cc(C(=O)Nc6ccccc6)c7O)c9O,"InChI=1/C57H46N6O4/c1-34-30-49(60-62-52-43-26-16-14-20-39(43)32-47(54(52)64)56(66)58-41-22-10-6-11-23-41)36(3)28-45(34)51(38-18-8-5-9-19-38)46-29-37(4)50(31-35(46)2)61-63-53-44-27-17-15-21-40(44)33-48(55(53)65)57(67)59-42-24-12-7-13-25-42/h5-33,51,64-65H,1-4H3,(H,58,66)(H,59,67)",C57H46N6O4,,,,,,HTDSBCRUCKCOAP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.374,262-031-8,60033-54-7,Dimethyl 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthyl]azo]phenyl]sulphonyl]amino]isophthalate,dimethyl 5-[{[4-({3-[(5-dodecanoyl-2-methylphenyl)carbamoyl]-4-hydroxy-1-naphthyl}diazenyl)phenyl]sulfonyl}(ethyl)amino]isophthalate,COC(=O)c1cc(cc(c1)C(=O)OC)N(CC)S(=O)(=O)c2ccc(cc2)N=Nc4cc(C(=O)Nc3cc(ccc3C)C(=O)CCCCCCCCCCC)c(O)c5ccccc45,COC(=O)c1cc(cc(c1)C(=O)OC)N(CC)S(=O)(=O)c2ccc(cc2)N=Nc4cc(C(=O)Nc3cc(ccc3C)C(=O)CCCCCCCCCCC)c(O)c5ccccc45,"InChI=1/C48H54N4O9S/c1-6-8-9-10-11-12-13-14-15-20-44(53)33-22-21-32(3)42(30-33)49-46(55)41-31-43(39-18-16-17-19-40(39)45(41)54)51-50-36-23-25-38(26-24-36)62(58,59)52(7-2)37-28-34(47(56)60-4)27-35(29-37)48(57)61-5/h16-19,21-31,54H,6-15,20H2,1-5H3,(H,49,55)",C48H54N4O9S,,,,,,BRUWQWPJMQFIFT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.004,263-824-1,63059-54-1,"N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]amino]sulphonyl]phenyl]sulphonyl]amino]naphthalene-2-carboxamide","N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-4-[({3-[(4-hydroxy-8-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}-1-naphthyl)sulfamoyl]phenyl}sulfonyl)amino]-2-naphthamide",[O-][N+](=O)c7ccc(N=Nc1cccc2c1c(ccc2O)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cc(c(O)c5ccccc45)C(=O)NCCCCOc6ccc(cc6C(C)(C)CC)C(C)(C)CC)c(c7)S(C)(=O)=O,[O-][N+](=O)c7ccc(N=Nc1cccc2c1c(ccc2O)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cc(c(O)c5ccccc45)C(=O)NCCCCOc6ccc(cc6C(C)(C)CC)C(C)(C)CC)c(c7)S(C)(=O)=O,"InChI=1/C54H58N6O12S3/c1-8-53(3,4)34-22-27-48(42(30-34)54(5,6)9-2)72-29-13-12-28-55-52(63)41-33-46(38-18-10-11-19-39(38)51(41)62)59-75(70,71)37-17-14-16-36(32-37)74(68,69)58-45-25-26-47(61)40-20-15-21-44(50(40)45)57-56-43-24-23-35(60(64)65)31-49(43)73(7,66)67/h10-11,14-27,30-33,58-59,61-62H,8-9,12-13,28-29H2,1-7H3,(H,55,63)",C54H58N6O12S3,,,,,,HZPBCZNMTORVAS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.015,263-836-7,63065-67-8,2-benzyl-5-methylpyridine,2-benzyl-5-methylpyridine,Cc1ccc(Cc2ccccc2)nc1,Cc1ccc(Cc2ccccc2)nc1,"InChI=1/C13H13N/c1-11-7-8-13(14-10-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3",C13H13N,,,,,,QCVFCEOANGWDQI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.017,263-838-8,63069-27-2,"Octapotassium [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","octapotassium {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.8K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;/q;8*+1/p-8",C10H28N2O12P4.8K,,,,,,LUPDLFAHXJFLOR-UHFFFAOYSA-F,,,,,,,,,,,
100.058.018,263-839-3,63069-48-7,4-chloro-2-iodoaniline,4-chloro-2-iodoaniline,Nc1ccc(Cl)cc1I,Nc1ccc(Cl)cc1I,"InChI=1/C6H5ClIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",C6H5ClIN,,,,,,FLEJOBRWKBPUOX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.802,266-902-3,67682-19-3,"3,3-dimethyl-4-phenylbutan-2-ol","3,3-dimethyl-4-phenylbutan-2-ol",CC(O)C(C)(C)Cc1ccccc1,CC(O)C(C)(C)Cc1ccccc1,"InChI=1/C12H18O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3",C12H18O,,,,,,IKPBBBOULQXHTE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.803,266-903-9,67688-72-6,4-(aminomethyl)benzoic acid hydrochloride,4-(aminomethyl)benzoic acid hydrochloride,Cl.NCc1ccc(cc1)C(=O)O,Cl.NCc1ccc(cc1)C(=O)O,"InChI=1/C8H9NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H",C8H9NO2.ClH,,,,,,IQKLOQHWKQYTQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.812,266-913-3,67697-69-2,3-[4-(dimethylamino)phenyl]-3-(diphenylamino)phthalide,3-[4-(dimethylamino)phenyl]-3-(diphenylamino)-2-benzofuran-1(3H)-one,CN(C)c1ccc(cc1)C2(OC(=O)c3ccccc23)N(c4ccccc4)c5ccccc5,CN(C)c1ccc(cc1)C2(OC(=O)c3ccccc23)N(c4ccccc4)c5ccccc5,"InChI=1/C28H24N2O2/c1-29(2)22-19-17-21(18-20-22)28(26-16-10-9-15-25(26)27(31)32-28)30(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-20H,1-2H3",C28H24N2O2,,,,,,CJHMJVWTJNXUPY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.052,261-677-8,59256-52-9,"3,6,9,12-tetraoxatetradecane-1,14-diyl diacrylate","16-oxo-3,6,9,12,15-pentaoxaoctadec-17-en-1-yl acrylate (non-preferred name)",C=CC(=O)OCCOCCOCCOCCOCCOC(=O)C=C,C=CC(=O)OCCOCCOCCOCCOCCOC(=O)C=C,"InChI=1/C16H26O8/c1-3-15(17)23-13-11-21-9-7-19-5-6-20-8-10-22-12-14-24-16(18)4-2/h3-4H,1-2,5-14H2",C16H26O8,,,,,,IJUOZEBZJUUBNX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.058,261-684-6,59272-84-3,(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide,"N-(carboxymethyl)-N,N-dimethyl-3-(tetradecanoylamino)propan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,"InChI=1/C21H42N2O3.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-20(24)22-17-15-18-23(2,3)19-21(25)26;/h4-19H2,1-3H3,(H-,22,24,25,26);1H2",C21H42N2O3,,,,,,KWMLEHOLXGMBEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.060,261-686-7,59278-00-1,2-[(acetyloxy)methoxy]ethyl acetate,(2-acetoxyethoxy)methyl acetate,CC(=O)OCCOCOC(=O)C,CC(=O)OCCOCOC(=O)C,"InChI=1/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3",C7H12O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17737,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.060,XFEQOLXBMLXKDE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.063,261-689-3,59302-11-3,"Aminophenazone 2,5-dihydroxybenzoate","2,5-dihydroxybenzoic acid - 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1:1)",CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.OC(=O)c3cc(O)ccc3O,CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.OC(=O)c3cc(O)ccc3O,"InChI=1/C13H17N3O.C7H6O4/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-4-1-2-6(9)5(3-4)7(10)11/h5-9H,1-4H3;1-3,8-9H,(H,10,11)",C13H17N3O.xC7H6O4,,,,,,GQUQRKUQWVVIJY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.073,261-700-1,59324-17-3,"trans-2-methyl-4-propyl-1,3-oxathiane","2-methyl-4-propyl-1,3-oxathiane",CCC[C@H]1CCO[C@H](C)S1,CCC[C@H]1CCO[C@H](C)S1,"InChI=1/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3",C8H16OS,,,,,,GKGOLPMYJJXRGD-YUMQZZPRSA-N,,,,,,,,,,,
100.056.080,261-708-5,59338-91-9,"4,5-diamino-o-anisic acid","4,5-diamino-2-methoxybenzoic acid",COc1cc(N)c(N)cc1C(=O)O,COc1cc(N)c(N)cc1C(=O)O,"InChI=1/C8H10N2O3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,9-10H2,1H3,(H,11,12)",C8H10N2O3,,,,,,LYFZXIXVTGAHSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.082,261-710-6,59338-93-1,Alizapride,N-[(1-allylpyrrolidin-2-yl)methyl]-5-methoxy-1H-benzotriazole-6-carboxamide,COc1cc2nn[nH]c2cc1C(=O)NCC3CCCN3CC=C,COc1cc2nn[nH]c2cc1C(=O)NCC3CCCN3CC=C,"InChI=1/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)",C16H21N5O2,,,,,,KSEYRUGYKHXGFW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.085,261-713-2,59349-71-2,(S)-3-phenylpiperidine,3-phenylpiperidine,C1CNC[C@@H](C1)c2ccccc2,C1CNC[C@@H](C1)c2ccccc2,"InChI=1/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2",C11H15N,,,,,,NZYBILDYPCVNMU-LLVKDONJSA-N,,,,,,,,,,,
100.057.986,263-804-2,63034-47-9,"2-chloro-2,2-difluoroethane-1,1-diol","2-chloro-2,2-difluoroethane-1,1-diol",OC(O)C(F)(F)Cl,OC(O)C(F)(F)Cl,"InChI=1/C2H3ClF2O2/c3-2(4,5)1(6)7/h1,6-7H",C2H3ClF2O2,,,,,,NBVGJCUYDBSJDL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.987,263-805-8,63039-25-8,Bis(bromopropyl) chloroethyl phosphate,bis(1-bromopropyl) 1-chloroethyl phosphate,CCC(Br)OP(=O)(OC(C)Cl)OC(Br)CC,CCC(Br)OP(=O)(OC(C)Cl)OC(Br)CC,"InChI=1/C8H16Br2ClO4P/c1-4-7(9)14-16(12,13-6(3)11)15-8(10)5-2/h6-8H,4-5H2,1-3H3",C8H16Br2ClO4P,,,,,,MXXNFGSAOWFTQG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.631,265-614-5,65201-77-6,Tetrabutylammonium periodate,"N,N,N-tributylbutan-1-aminium periodate",CCCC[N+](CCCC)(CCCC)CCCC.[O-]I(=O)(=O)=O,CCCC[N+](CCCC)(CCCC)CCCC.[O-]I(=O)(=O)=O,"InChI=1/C16H36N.HIO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C16H36N.IO4,,,,,,PYVXLMQALOZKES-UHFFFAOYSA-M,,,,,,,,,,,
100.059.634,265-617-1,65202-61-1,"Methyl 10-[(hydroxyamino)carbonyl]-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate","methyl 10-(hydroxycarbamoyl)-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate",COC(=O)N1CCC(C(=O)NO)C2(C1)OCCO2,COC(=O)N1CCC(C(=O)NO)C2(C1)OCCO2,"InChI=1/C10H16N2O6/c1-16-9(14)12-3-2-7(8(13)11-15)10(6-12)17-4-5-18-10/h7,15H,2-6H2,1H3,(H,11,13)",C10H16N2O6,,,,,,AGWPKUXWIYXZNW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.547,257-820-9,52298-21-2,"Disodium 5-[[4-amino-6-anilino-1,3,5-triazin-2-yl]amino]-2-[2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]vinyl]benzenesulphonate","disodium 5-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]-2-(2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}vinyl)benzenesulfonate",[Na+].[Na+].Nc1nc(N)nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(N)nc(Nc5ccccc5)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,[Na+].[Na+].Nc1nc(N)nc(Nc2ccc(\C=C\c3ccc(Nc4nc(N)nc(Nc5ccccc5)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1,"InChI=1/C26H24N12O6S2.2Na/c27-21-33-22(28)35-24(34-21)31-17-10-8-14(19(12-17)45(39,40)41)6-7-15-9-11-18(13-20(15)46(42,43)44)32-26-37-23(29)36-25(38-26)30-16-4-2-1-3-5-16;;/h1-13H,(H,39,40,41)(H,42,43,44)(H5,27,28,31,33,34,35)(H4,29,30,32,36,37,38);;/q;2*+1/p-2",C26H24N12O6S2.2Na,,,,,,NBHXUBJBRYYUTA-KMXZHCNGSA-L,,,,,,,,,,,
100.052.551,257-825-6,52299-73-7,"1-ethyl-2-methylnaphth[1,2-d]oxazolium iodide","1-ethyl-2-methylnaphtho[1,2-d][1,3]oxazol-1-ium iodide",[I-].CC[n+]1c(C)oc2ccc3ccccc3c12,[I-].CC[n+]1c(C)oc2ccc3ccccc3c12,"InChI=1/C14H14NO.HI/c1-3-15-10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)15;/h4-9H,3H2,1-2H3;1H/q+1;/p-1",C14H14NO.I,,,,,,OYPHZWUSSLUFNO-UHFFFAOYSA-M,,,,,,,,,,,
100.052.556,257-830-3,52303-01-2,"1,4-dihydroxy-5,8-bis(phenylamino)anthraquinone","1,4-dianilino-5,8-dihydroxy-9,10-anthraquinone",Oc1ccc(O)c2C(=O)c3c(Nc4ccccc4)ccc(Nc5ccccc5)c3C(=O)c12,Oc1ccc(O)c2C(=O)c3c(Nc4ccccc4)ccc(Nc5ccccc5)c3C(=O)c12,"InChI=1/C26H18N2O4/c29-19-13-14-20(30)24-23(19)25(31)21-17(27-15-7-3-1-4-8-15)11-12-18(22(21)26(24)32)28-16-9-5-2-6-10-16/h1-14,27-30H",C26H18N2O4,,,,,,ZFPNHHAKQMROGS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.559,257-834-5,52304-21-9,Ammonium tetradecyl sulphate,ammonium tetradecyl sulfate,[NH4+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C14H30O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);1H3",C14H30O4S.H3N,,,,,,AHVCYVORAAEAKW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.560,257-835-0,52304-36-6,Ethyl N-acetyl-N-butyl-ß-alaninate,ethyl N-acetyl-N-butyl-beta-alaninate,CCCCN(CCC(=O)OCC)C(=O)C,CCCCN(CCC(=O)OCC)C(=O)C,"InChI=1/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3",C11H21NO3,,,,,,VZRKEAFHFMSHCD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.563,257-838-7,52313-55-0,Benzo[2'-[1-benzyl-4-piperidyl]]hydrazide,N'-(1-benzylpiperidin-4-yl)benzohydrazide,O=C(NNC1CCN(Cc2ccccc2)CC1)c3ccccc3,O=C(NNC1CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C19H23N3O/c23-19(17-9-5-2-6-10-17)21-20-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2,(H,21,23)",C19H23N3O,,,,,,QEUTZPRLLBCXNK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.576,257-852-3,52328-49-1,3-tert-butyl-5-methylanisole,1-tert-butyl-3-methoxy-5-methylbenzene,COc1cc(C)cc(c1)C(C)(C)C,COc1cc(C)cc(c1)C(C)(C)C,"InChI=1/C12H18O/c1-9-6-10(12(2,3)4)8-11(7-9)13-5/h6-8H,1-5H3",C12H18O,,,,,,SIRJAAYBSCHVTB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.654,267-839-4,67939-48-4,"2,3,5,6-tetrahydro-N-[imino(2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl)methyl]-1H-imidazo[1,2-a]imidazole-1-carboxamidine monohydrochloride","N-[imino(2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl)methyl]-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole-1-carboximidamide hydrochloride",Cl.N=C(NC(=N)N1CCN2CCN=C12)N3CCN4CCN=C34,Cl.N=C(NC(=N)N1CCN2CCN=C12)N3CCN4CCN=C34,"InChI=1/C12H19N9.ClH/c13-9(20-7-5-18-3-1-15-11(18)20)17-10(14)21-8-6-19-4-2-16-12(19)21;/h1-8H2,(H3,13,14,17);1H",C12H19N9.ClH,,,,,,UXLHQJWEKUAWEG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.657,267-843-6,67939-55-3,1-bromo-2-chloropropene,1-bromo-2-chloroprop-1-ene,CC(Cl)=CBr,CC(Cl)=CBr,"InChI=1/C3H4BrCl/c1-3(5)2-4/h2H,1H3",C3H4BrCl,,,,,,LEUMKYBSYBFZEU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.665,267-852-5,67939-80-4,Tetrakis(cyclononyloxy)silane,tetracyclononyl orthosilicate,C1CCCCC(CCC1)O[Si](OC2CCCCCCCC2)(OC3CCCCCCCC3)OC4CCCCCCCC4,C1CCCCC(CCC1)O[Si](OC2CCCCCCCC2)(OC3CCCCCCCC3)OC4CCCCCCCC4,"InChI=1/C36H68O4Si/c1-2-10-18-26-33(25-17-9-1)37-41(38-34-27-19-11-3-4-12-20-28-34,39-35-29-21-13-5-6-14-22-30-35)40-36-31-23-15-7-8-16-24-32-36/h33-36H,1-32H2",C36H68O4Si,,,,,,XWRXNKJMGYFOCC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.671,267-858-8,67939-86-0,"Decanoic acid, compound with 2,2'-(isopropylimino)diethanol (1:1)","decanoic acid - 2,2'-(isopropylimino)diethanol (1:1)",CCCCCCCCCC(=O)O.CC(C)N(CCO)CCO,CCCCCCCCCC(=O)O.CC(C)N(CCO)CCO,"InChI=1/C10H20O2.C7H17NO2/c1-2-3-4-5-6-7-8-9-10(11)12;1-7(2)8(3-5-9)4-6-10/h2-9H2,1H3,(H,11,12);7,9-10H,3-6H2,1-2H3",C10H20O2.C7H17NO2,,,,,,ZASLDYNTECQJSD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.673,267-860-9,67939-88-2,N-[3-(dimethylamino)propyl]heptadecafluorooctanesulphonamide monohydrochloride,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide hydrochloride",Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H13F17N2O2S.ClH/c1-32(2)5-3-4-31-35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28;/h31H,3-5H2,1-2H3;1H",C13H13F17N2O2S.ClH,,,,,,XJGIKNCQWLRHAA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.683,267-871-9,67939-98-4,Diammonium 2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl phosphate,diammonium 2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl phosphate,[NH4+].[NH4+].CCN(CCOP(=O)([O-])[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].CCN(CCOP(=O)([O-])[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H11F15NO6PS.2H3N/c1-2-27(3-4-33-34(28,29)30)35(31,32)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;;/h2-4H2,1H3,(H2,28,29,30);2*1H3",C11H11F15NO6PS.2H3N,,,,,,XWTQIOGOCXVTMA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.701,267-891-8,67952-38-9,4-(p-methoxyphenyl)butan-2-ol,4-(4-methoxyphenyl)butan-2-ol,COc1ccc(CCC(C)O)cc1,COc1ccc(CCC(C)O)cc1,"InChI=1/C11H16O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9,12H,3-4H2,1-2H3",C11H16O2,,,,,,UOACSUDCGMMDFW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.708,267-899-1,67952-45-8,"Disodium 4,5-bis(isopropyl)naphthalene-1,8-disulphonate","disodium 4,5-diisopropylnaphthalene-1,8-disulfonate",[Na+].[Na+].CC(C)c1ccc(c2c(ccc(C(C)C)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CC(C)c1ccc(c2c(ccc(C(C)C)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H20O6S2.2Na/c1-9(2)11-5-7-13(23(17,18)19)16-14(24(20,21)22)8-6-12(10(3)4)15(11)16;;/h5-10H,1-4H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C16H20O6S2.2Na,,,,,,LRUKHWGSRDZHSK-UHFFFAOYSA-L,,,,,,,,,,,
100.061.709,267-900-5,67952-46-9,2-(1-methylethoxy)ethyl carbamate,2-isopropoxyethyl carbamate,CC(C)OCCOC(=O)N,CC(C)OCCOC(=O)N,"InChI=1/C6H13NO3/c1-5(2)9-3-4-10-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)",C6H13NO3,,,,,,WFGYALSKIQVJKA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.736,267-929-3,67952-93-6,3-chloro-4-methylbenzylamine,1-(3-chloro-4-methylphenyl)methanamine,Cc1ccc(CN)cc1Cl,Cc1ccc(CN)cc1Cl,"InChI=1/C8H10ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3",C8H10ClN,,,,,,MXIGALIASISPNU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.835,262-538-4,60958-41-0,"p-[4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[(2-methoxy-5-methyl-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,OS(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,"InChI=1/C20H22N4O11S3/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)",C20H22N4O11S3,,,,,,ZLLJOZOHXNAJLK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.847,262-552-0,60995-75-7,N-butyl-m-toluidine,N-butyl-3-methylaniline,CCCCNc1cccc(C)c1,CCCCNc1cccc(C)c1,"InChI=1/C11H17N/c1-3-4-8-12-11-7-5-6-10(2)9-11/h5-7,9,12H,3-4,8H2,1-2H3",C11H17N,,,,,,UUSGZWZUYJHBJS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.860,262-566-7,61038-97-9,Methyl 4-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]benzoate,methyl 4-({2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl}diazenyl)benzoate (non-preferred name),COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1ccc(cc1)C(=O)OC)c(c2)NC(C)=O,COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1ccc(cc1)C(=O)OC)c(c2)NC(C)=O,"InChI=1/C24H28N4O7/c1-16(29)25-21-15-19(28(13-11-22(30)33-2)14-12-23(31)34-3)9-10-20(21)27-26-18-7-5-17(6-8-18)24(32)35-4/h5-10,15H,11-14H2,1-4H3,(H,25,29)",C24H28N4O7,,,,,,HMRLZWZWXRVZDE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.861,262-567-2,61041-75-6,"Isobutyl hexa-2,4-dienoate","isobutyl hexa-2,4-dienoate",CC(C)COC(=O)C=CC=CC,CC(C)COC(=O)C=CC=CC,"InChI=1/C10H16O2/c1-4-5-6-7-10(11)12-8-9(2)3/h4-7,9H,8H2,1-3H3",C10H16O2,,,,,,LPMAVIRJZLOTCU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.862,262-568-8,61043-04-7,Sodium 1-methyl cis-camphorate,"sodium 3-(methoxycarbonyl)-2,2,3-trimethylcyclopentanecarboxylate",[Na+].COC(=O)[C@@]1(C)CC[C@@H](C(=O)[O-])C1(C)C,[Na+].COC(=O)[C@@]1(C)CC[C@@H](C(=O)[O-])C1(C)C,"InChI=1/C11H18O4.Na/c1-10(2)7(8(12)13)5-6-11(10,3)9(14)15-4;/h7H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1",C11H18O4.Na,,,,,,PKYIOHOCVMTMTM-VNYQHEISSA-M,,,,,,,,,,,
100.056.864,262-570-9,61048-75-7,"Sodium 3-(1,3-dimethylbutoxy)-2-hydroxypropanesulphonate","sodium 3-(1,3-dimethylbutoxy)-2-hydroxypropane-1-sulfonate",[Na+].CC(C)CC(C)OCC(O)CS(=O)(=O)[O-],[Na+].CC(C)CC(C)OCC(O)CS(=O)(=O)[O-],"InChI=1/C9H20O5S.Na/c1-7(2)4-8(3)14-5-9(10)6-15(11,12)13;/h7-10H,4-6H2,1-3H3,(H,11,12,13);/q;+1/p-1",C9H20O5S.Na,,,,,,KHQLEULGTHCUGT-UHFFFAOYSA-M,,,,,,,,,,,
100.056.866,262-573-5,61049-90-9,"2-[butyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethanol","2-(butyl{4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)ethanol",CCCCN(CCO)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,CCCCN(CCO)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,"InChI=1/C20H23N5OS/c1-2-3-13-25(14-15-26)18-11-9-17(10-12-18)22-23-20-21-19(24-27-20)16-7-5-4-6-8-16/h4-12,26H,2-3,13-15H2,1H3",C20H23N5OS,,,,,,FOVVNVHNNGUMFG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.873,262-580-3,61065-79-0,"cis-4-(1,1-dimethylethyl)-a-ethylcyclohexanemethanol",1-(4-tert-butylcyclohexyl)propan-1-ol,CCC(O)[C@@H]1CC[C@@H](CC1)C(C)(C)C,CCC(O)[C@@H]1CC[C@@H](CC1)C(C)(C)C,"InChI=1/C13H26O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h10-12,14H,5-9H2,1-4H3",C13H26O,,,,,,MOIDOWNIRCVQFD-FOSCPWQOSA-N,,,,,,,,,,,
100.058.500,264-369-1,63616-15-9,1-methylheptyl methacrylate,1-methylheptyl methacrylate,CCCCCCC(C)OC(=O)C(=C)C,CCCCCCC(C)OC(=O)C(=C)C,"InChI=1/C12H22O2/c1-5-6-7-8-9-11(4)14-12(13)10(2)3/h11H,2,5-9H2,1,3-4H3",C12H22O2,,,,,,KUZUWYWVINGZKL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.787,251-482-6,33373-80-7,2-(trichloromethyl)oxazolidine,"2-(trichloromethyl)-1,3-oxazolidine",ClC(Cl)(Cl)C1NCCO1,ClC(Cl)(Cl)C1NCCO1,"InChI=1/C4H6Cl3NO/c5-4(6,7)3-8-1-2-9-3/h3,8H,1-2H2",C4H6Cl3NO,,,,,,YFZMDNJBQWEQRG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.019,263-840-9,63074-58-8,N-(3-ethoxypropyl)-3-hydroxy-4-[(2-nitrophenyl)azo]naphthalene-2-carboxamide,N-(3-ethoxypropyl)-3-hydroxy-4-[(2-nitrophenyl)diazenyl]-2-naphthamide,[O-][N+](=O)c3ccccc3N=Nc1c2ccccc2cc(C(=O)NCCCOCC)c1O,[O-][N+](=O)c3ccccc3N=Nc1c2ccccc2cc(C(=O)NCCCOCC)c1O,"InChI=1/C22H22N4O5/c1-2-31-13-7-12-23-22(28)17-14-15-8-3-4-9-16(15)20(21(17)27)25-24-18-10-5-6-11-19(18)26(29)30/h3-6,8-11,14,27H,2,7,12-13H2,1H3,(H,23,28)",C22H22N4O5,,,,,,RKVVWEGXEYOYGF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.022,263-844-0,63079-67-4,Morpholine phosphate,morpholine phosphate,O=P(O)(O)O.C1CNCCO1,O=P(O)(O)O.C1CNCCO1,"InChI=1/C4H9NO.H3O4P/c1-3-6-4-2-5-1;1-5(2,3)4/h5H,1-4H2;(H3,1,2,3,4)",C4H9NO.xH3O4P,,,,,,IBYAOODMUFJKEW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.922,265-934-5,65817-49-4,"N-(2-aminoethyl)-N'-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethylenediamine","N-(2-aminoethyl)-N'-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCNCCN,CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCNCCN,"InChI=1/C26H55N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-30-23-25-31(26)24-22-29-21-20-28-19-18-27/h28-29H,2-25,27H2,1H3",C26H55N5,,,,,,YJXHETPXKRYQLW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.927,265-939-2,65838-95-1,"3,3'-(butylimino)bispropane-1,2-diol","3,3'-(butylimino)dipropane-1,2-diol",CCCCN(CC(O)CO)CC(O)CO,CCCCN(CC(O)CO)CC(O)CO,"InChI=1/C10H23NO4/c1-2-3-4-11(5-9(14)7-12)6-10(15)8-13/h9-10,12-15H,2-8H2,1H3",C10H23NO4,,,,,,JALKXPURISYHHL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.938,265-951-8,65859-45-2,1-methyl-2-[(2-methyl-1-oxoallyl)oxy]ethyl hydrogen phthalate,2-{[2-(methacryloyloxy)-1-methylethoxy]carbonyl}benzoic acid,CC(COC(=O)C(=C)C)OC(=O)c1ccccc1C(=O)O,CC(COC(=O)C(=C)C)OC(=O)c1ccccc1C(=O)O,"InChI=1/C15H16O6/c1-9(2)14(18)20-8-10(3)21-15(19)12-7-5-4-6-11(12)13(16)17/h4-7,10H,1,8H2,2-3H3,(H,16,17)",C15H16O6,,,,,,HQYSAIKKBLWFBW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.942,265-956-5,65866-86-6,a-(methoxyimino)furan-2-acetic acid,2-furyl(methoxyimino)acetic acid,CON=C(c1ccco1)C(O)=O,CON=C(c1ccco1)C(O)=O,"InChI=1/C7H7NO4/c1-11-8-6(7(9)10)5-3-2-4-12-5/h2-4H,1H3,(H,9,10)",C7H7NO4,,,,,,ZNQCEVIJOQZWLO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.943,265-957-0,65872-41-5,(Z)-2-amino-a-(methoxyimino)thiazol-4-acetic acid,"(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetic acid",CO\\N=C(/C(=O)O)\\c1csc(N)n1,CO\N=C(/C(=O)O)\c1csc(N)n1,"InChI=1/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)",C6H7N3O3S,,,,,,NLARCUDOUOQRPB-WTKPLQERSA-N,,,,,,,,,,,
100.059.948,265-962-8,65883-03-6,"3,3'-[(2-chloro-1,4-phenylene)dinitrilo]bis[4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindol-1-one]","3,3'-[(2-chloro-1,4-phenylene)dinitrilo]bis(4,5,6,7-tetrachloroisoindolin-1-one)",Clc1c5c(c(Cl)c(Cl)c1Cl)C(=O)NC5=Nc4ccc(N=C3NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c23)c(Cl)c4,Clc1c5c(c(Cl)c(Cl)c1Cl)C(=O)NC5=Nc4ccc(N=C3NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c23)c(Cl)c4,"InChI=1/C22H5Cl9N4O2/c23-5-3-4(32-19-7-9(21(36)34-19)13(26)17(30)15(28)11(7)24)1-2-6(5)33-20-8-10(22(37)35-20)14(27)18(31)16(29)12(8)25/h1-3H,(H,32,34,36)(H,33,35,37)",C22H5Cl9N4O2,,,,,,KAVTZNAONUOIDY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.956,265-971-7,65897-42-9,3-acetyl-2-pyridin-3-ylthiazolidine-4-carboxylic acid,"3-acetyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid",CC(=O)N1C(CSC1c2cccnc2)C(=O)O,CC(=O)N1C(CSC1c2cccnc2)C(=O)O,"InChI=1/C11H12N2O3S/c1-7(14)13-9(11(15)16)6-17-10(13)8-3-2-4-12-5-8/h2-5,9-10H,6H2,1H3,(H,15,16)",C11H12N2O3S,,,,,,MJXZBJCKDZKESQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.186,267-326-5,67845-54-9,"5,9-dimethyl-4,8-decadien-3-ol","5,9-dimethyldeca-4,8-dien-3-ol",CCC(O)C=C(C)CC\\C=C(/C)C,CCC(O)C=C(C)CC\C=C(/C)C,"InChI=1/C12H22O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h7,9,12-13H,5-6,8H2,1-4H3",C12H22O,,,,,,PQUSMVMWVMGVGN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.189,267-329-1,67845-57-2,2-(4-methylpentylidene)cyclopentan-1-one,2-(4-methylpentylidene)cyclopentanone,O=C1CCCC1=CCCC(C)C,O=C1CCCC1=CCCC(C)C,"InChI=1/C11H18O/c1-9(2)5-3-6-10-7-4-8-11(10)12/h6,9H,3-5,7-8H2,1-2H3",C11H18O,,,,,,VVHLWZHKGNSZQT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.190,267-330-7,67845-58-3,2-methoxy-4-propylcyclohexyl acetate,2-methoxy-4-propylcyclohexyl acetate,CCCC1CCC(OC(=O)C)C(C1)OC,CCCC1CCC(OC(=O)C)C(C1)OC,"InChI=1/C12H22O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h10-12H,4-8H2,1-3H3",C12H22O3,,,,,,DCHIIKAIQRAGHB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.193,267-333-3,67845-77-6,"1,3,4-trimethyl-5-(1-methylvinyl)cyclohexene","5-isopropenyl-1,3,4-trimethylcyclohexene",CC1C=C(C)CC(C1C)C(=C)C,CC1C=C(C)CC(C1C)C(=C)C,"InChI=1/C12H20/c1-8(2)12-7-9(3)6-10(4)11(12)5/h6,10-12H,1,7H2,2-5H3",C12H20,,,,,,LLLZQCRAEFSLPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.194,267-334-9,67845-78-7,"1,3,5-trimethyl-4-(1-methylvinyl)cyclohexene","4-isopropenyl-1,3,5-trimethylcyclohexene",CC1CC(=CC(C)C1C(=C)C)C,CC1CC(=CC(C)C1C(=C)C)C,"InChI=1/C12H20/c1-8(2)12-10(4)6-9(3)7-11(12)5/h6,10-12H,1,7H2,2-5H3",C12H20,,,,,,JARFYGJEQCRGOP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.195,267-335-4,67845-79-8,Bis[(2-hydroxyphenyl)ammonium] sulphate,bis(2-hydroxyanilinium) sulfate,[NH3+]c1ccccc1O.[NH3+]c2ccccc2O.[O-]S(=O)(=O)[O-],[NH3+]c1ccccc1O.[NH3+]c2ccccc2O.[O-]S(=O)(=O)[O-],"InChI=1/2C6H7NO.H2O4S/c2*7-5-3-1-2-4-6(5)8;1-5(2,3)4/h2*1-4,8H,7H2;(H2,1,2,3,4)",C6H7NO.1/2H2O4S,,,,,,SHUIDGXTJAQFJO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.636,265-619-2,65202-63-3,"4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3(2H)-one monohydrobromide","4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3(2H)-one hydrobromide",Br.O=C1NOC2=C1CCNC2,Br.O=C1NOC2=C1CCNC2,"InChI=1/C6H8N2O2.BrH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H",C6H8N2O2.BrH,,,,,,UPVZCNRBPOAABW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.641,265-625-5,65208-24-4,m-[[[5-hydroxy-6-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]amino]sulphonyl]benzenesulphonyl fluoride,3-[(5-hydroxy-6-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}-1-naphthyl)sulfamoyl]benzenesulfonyl fluoride,FS(=O)(=O)c1cccc(c1)S(=O)(=O)Nc4cccc3c4ccc(N=Nc2ccc(cc2S(C)(=O)=O)[N+]([O-])=O)c3O,FS(=O)(=O)c1cccc(c1)S(=O)(=O)Nc4cccc3c4ccc(N=Nc2ccc(cc2S(C)(=O)=O)[N+]([O-])=O)c3O,"InChI=1/C23H17FN4O9S3/c1-38(32,33)22-12-14(28(30)31)8-10-20(22)25-26-21-11-9-17-18(23(21)29)6-3-7-19(17)27-40(36,37)16-5-2-4-15(13-16)39(24,34)35/h2-13,27,29H,1H3",C23H17FN4O9S3,,,,,,XLIIXVCJFYLNTH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.643,265-627-6,65208-30-2,"[[1-[2-(2-benzothiazolylthio)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-6-yl]methylene]malononitrile","({1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl}methylene)malononitrile",CC1CC(C)(C)N(CCSc2nc3ccccc3s2)c4ccc(C=C(C#N)C#N)cc14,CC1CC(C)(C)N(CCSc2nc3ccccc3s2)c4ccc(C=C(C#N)C#N)cc14,"InChI=1/C25H24N4S2/c1-17-14-25(2,3)29(10-11-30-24-28-21-6-4-5-7-23(21)31-24)22-9-8-18(13-20(17)22)12-19(15-26)16-27/h4-9,12-13,17H,10-11,14H2,1-3H3",C25H24N4S2,,,,,,KUWSCZAJGCYZFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.646,265-630-2,65208-34-6,Phenyl 1-hydroxy-4-nitro-2-naphthoate,phenyl 1-hydroxy-4-nitro-2-naphthoate,Oc1c(cc(c2ccccc12)[N+](=O)[O-])C(=O)Oc3ccccc3,Oc1c(cc(c2ccccc12)[N+](=O)[O-])C(=O)Oc3ccccc3,"InChI=1/C17H11NO5/c19-16-13-9-5-4-8-12(13)15(18(21)22)10-14(16)17(20)23-11-6-2-1-3-7-11/h1-10,19H",C17H11NO5,,,,,,DMPUGHYNLCGVPX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.911,268-122-9,68003-39-4,N-ethyl-4-nitro-N-phenyltoluene-2-sulphonamide,N-ethyl-2-methyl-5-nitro-N-phenylbenzenesulfonamide,CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)[N+](=O)[O-],CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)[N+](=O)[O-],"InChI=1/C15H16N2O4S/c1-3-16(13-7-5-4-6-8-13)22(20,21)15-11-14(17(18)19)10-9-12(15)2/h4-11H,3H2,1-2H3",C15H16N2O4S,,,,,,BLAXIVFXXRDMRT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.913,268-125-5,68003-41-8,1-cyclohexyl-4-(4-nitrophenoxy)benzene,1-cyclohexyl-4-(4-nitrophenoxy)benzene,[O-][N+](=O)c1ccc(Oc2ccc(cc2)C3CCCCC3)cc1,[O-][N+](=O)c1ccc(Oc2ccc(cc2)C3CCCCC3)cc1,"InChI=1/C18H19NO3/c20-19(21)16-8-12-18(13-9-16)22-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h6-14H,1-5H2",C18H19NO3,,,,,,YFHWGRVPEWMRLY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.918,268-130-2,68003-46-3,Ammonium N-methyl-N-(1-oxododecyl)glycinate,ammonium [dodecanoyl(methyl)amino]acetate,[NH4+].CCCCCCCCCCCC(=O)N(C)CC(=O)[O-],[NH4+].CCCCCCCCCCCC(=O)N(C)CC(=O)[O-],"InChI=1/C15H29NO3.H3N/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);1H3",C15H29NO3.H3N,,,,,,OCSIXPGPUXCISD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.922,268-134-4,68003-53-2,Methyl 1-heptyl-2-oxocyclopentanecarboxylate,methyl 1-heptyl-2-oxocyclopentanecarboxylate,CCCCCCCC1(CCCC1=O)C(=O)OC,CCCCCCCC1(CCCC1=O)C(=O)OC,"InChI=1/C14H24O3/c1-3-4-5-6-7-10-14(13(16)17-2)11-8-9-12(14)15/h3-11H2,1-2H3",C14H24O3,,,,,,NUKUEPMJQQXHDS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.926,268-139-1,68006-79-1,2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-3-methylbenzoxazolium iodide,"2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzoxazol-3-ium iodide",[I-].C[n+]3c4ccccc4oc3C=CC=C2Sc1ccccc1N2CC,[I-].C[n+]3c4ccccc4oc3C=CC=C2Sc1ccccc1N2CC,"InChI=1/C20H19N2OS.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-8-13-19-21(2)15-9-4-6-11-17(15)23-19;/h4-14H,3H2,1-2H3;1H/q+1;/p-1",C20H19N2OS.I,,,,,,GIEGPGQLTDHWDN-UHFFFAOYSA-M,,,,,,,,,,,
100.061.939,268-153-8,68015-88-3,"2,5-dibutoxy-4-(morpholino)benzenediazonium hexafluorophosphate","2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium hexafluorophosphate",CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.F[P-](F)(F)(F)(F)F,CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C18H28N3O3.F6P/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;1-7(2,3,4,5)6/h13-14H,3-12H2,1-2H3;/q+1;-1",C18H28N3O3.F6P,,,,,,UOHYWZVNZPYLAM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.940,268-154-3,68015-89-4,4-[benzyl(ethyl)amino]benzenediazonium hexafluorophosphate,4-[benzyl(ethyl)amino]benzenediazonium hexafluorophosphate,CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N.F[P-](F)(F)(F)(F)F,CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C15H16N3.F6P/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;1-7(2,3,4,5)6/h3-11H,2,12H2,1H3;/q+1;-1",C15H16N3.F6P,,,,,,ALNGIPXYBDFCFA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.941,268-155-9,68015-90-7,3-methyl-4-(pyrrolidin-1-yl)benzenediazonium hexafluorophosphate (1:1),3-methyl-4-pyrrolidin-1-ylbenzenediazonium hexafluorophosphate,Cc1cc(ccc1N2CCCC2)[N+]#N.F[P-](F)(F)(F)(F)F,Cc1cc(ccc1N2CCCC2)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C11H14N3.F6P/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;1-7(2,3,4,5)6/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1",C11H14N3.F6P,,,,,,BCDOECPTJJJCQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.684,267-872-4,67940-00-5,N-[3-[(2-cyanoethyl)methylamino]-4-methoxyphenyl]acetamide,N-{3-[(2-cyanoethyl)(methyl)amino]-4-methoxyphenyl}acetamide,COc1ccc(NC(=O)C)cc1N(C)CCC#N,COc1ccc(NC(=O)C)cc1N(C)CCC#N,"InChI=1/C13H17N3O2/c1-10(17)15-11-5-6-13(18-3)12(9-11)16(2)8-4-7-14/h5-6,9H,4,8H2,1-3H3,(H,15,17)",C13H17N3O2,,,,,,YQSUXMCLIUGHKF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.386,265-344-8,65059-88-3,Methyl N-[2-acetoxyethyl]-N-[5-(acetylamino)-2-methoxyphenyl]-ß-alaninate,methyl N-(5-acetamido-2-methoxyphenyl)-N-(2-acetoxyethyl)-beta-alaninate,COC(=O)CCN(CCOC(=O)C)c1cc(NC(=O)C)ccc1OC,COC(=O)CCN(CCOC(=O)C)c1cc(NC(=O)C)ccc1OC,"InChI=1/C17H24N2O6/c1-12(20)18-14-5-6-16(23-3)15(11-14)19(8-7-17(22)24-4)9-10-25-13(2)21/h5-6,11H,7-10H2,1-4H3,(H,18,20)",C17H24N2O6,,,,,,NTQZWYMCQHRHSU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.387,265-345-3,65059-91-8,Benzyldodecylbis(2-hydroxypropyl)ammonium chloride,"N-benzyl-N,N-bis(2-hydroxypropyl)dodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,[Cl-].CCCCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,"InChI=1/C25H46NO2.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-26(20-23(2)27,21-24(3)28)22-25-17-14-13-15-18-25;/h13-15,17-18,23-24,27-28H,4-12,16,19-22H2,1-3H3;1H/q+1;/p-1",C25H46NO2.Cl,,,,,,DMKGBWJRTCHMCP-UHFFFAOYSA-M,,,,,,,,,,,
100.059.390,265-349-5,65059-94-1,Benzylbis(2-hydroxypropyl)tetradecylammonium chloride,"N-benzyl-N,N-bis(2-hydroxypropyl)tetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,"InChI=1/C27H50NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-28(22-25(2)29,23-26(3)30)24-27-19-16-15-17-20-27;/h15-17,19-20,25-26,29-30H,4-14,18,21-24H2,1-3H3;1H/q+1;/p-1",C27H50NO2.Cl,,,,,,KXUWBDGMGUMNIG-UHFFFAOYSA-M,,,,,,,,,,,
100.059.391,265-350-0,65059-95-2,Benzyldecylbis(2-hydroxypropyl)ammonium chloride,"N-benzyl-N,N-bis(2-hydroxypropyl)decan-1-aminium chloride",[Cl-].CCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,[Cl-].CCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,"InChI=1/C23H42NO2.ClH/c1-4-5-6-7-8-9-10-14-17-24(18-21(2)25,19-22(3)26)20-23-15-12-11-13-16-23;/h11-13,15-16,21-22,25-26H,4-10,14,17-20H2,1-3H3;1H/q+1;/p-1",C23H42NO2.Cl,,,,,,BOKDXRHWFDZHBH-UHFFFAOYSA-M,,,,,,,,,,,
100.059.392,265-351-6,65059-98-5,Trimethylammonium methyl sulphate,"N,N-dimethylmethanaminium methyl sulfate",COS(=O)(=O)[O-].C[NH+](C)C,COS(=O)(=O)[O-].C[NH+](C)C,"InChI=1/C3H9N.CH4O4S/c1-4(2)3;1-5-6(2,3)4/h1-3H3;1H3,(H,2,3,4)",C13H30N.CH3O4S,,,,,,ITFGZZGYXVHOOU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.404,265-364-7,65072-26-6,Trisodium 4-[[1-hydroxy-6-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate,trisodium 4-[(1-hydroxy-6-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}-3-sulfonato-2-naphthyl)diazenyl]benzoate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2cc1cc(ccc1c(O)c2)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4)C([O-])=O)c5O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2cc1cc(ccc1c(O)c2)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4)C([O-])=O)c5O)S([O-])(=O)=O,"InChI=1/C28H20N4O11S2.3Na/c33-23-13-20(44(38,39)40)11-15-9-18(5-7-21(15)23)29-28(37)30-19-6-8-22-16(10-19)12-24(45(41,42)43)25(26(22)34)32-31-17-3-1-14(2-4-17)27(35)36;;;/h1-13,33-34H,(H,35,36)(H2,29,30,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C28H20N4O11S2.3Na,,,,,,HNRZVEBLTQZBGJ-UHFFFAOYSA-K,,,,,,,,,,,
100.059.406,265-366-8,65072-31-3,"Tetrasodium 4,4'-[carbonylbis[imino(1-hydroxy-3-sulphonatonaphthalene-6,2-diyl)azo]]dibenzoate",tetrasodium 4-({6-[({6-[(4-carboxylatophenyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}carbamoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)benzoate,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C([O-])=O)c6O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C([O-])=O)c6O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H24N6O13S2.4Na/c42-31-25-11-9-23(13-19(25)15-27(55(49,50)51)29(31)40-38-21-5-1-17(2-6-21)33(44)45)36-35(48)37-24-10-12-26-20(14-24)16-28(56(52,53)54)30(32(26)43)41-39-22-7-3-18(4-8-22)34(46)47;;;;/h1-16,42-43H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C35H24N6O13S2.4Na,,,,,,BTYZBJUZZLAEMK-UHFFFAOYSA-J,,,,,,,,,,,
100.059.408,265-368-9,65072-39-1,2-[4-(5-amino-6-methyl-2-naphthyl)phenyl]-6-methylbenzothiazole-7-sulphonic acid,"2-[4-(5-amino-6-methyl-2-naphthyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid",Cc1ccc2cc(ccc2c1N)c3ccc(cc3)c4nc5ccc(C)c(c5s4)S(=O)(=O)O,Cc1ccc2cc(ccc2c1N)c3ccc(cc3)c4nc5ccc(C)c(c5s4)S(=O)(=O)O,"InChI=1/C25H20N2O3S2/c1-14-3-5-19-13-18(10-11-20(19)22(14)26)16-6-8-17(9-7-16)25-27-21-12-4-15(2)24(23(21)31-25)32(28,29)30/h3-13H,26H2,1-2H3,(H,28,29,30)",C25H20N2O3S2,,,,,,YQFLNILRSXUCDC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.881,265-888-6,65706-08-3,Diethyl 2-[(3-cyclohexyl-3-oxopropyl)amino]nonanedioate,diethyl 2-[(3-cyclohexyl-3-oxopropyl)amino]nonanedioate,CCOC(=O)CCCCCCC(NCCC(=O)C1CCCCC1)C(=O)OCC,CCOC(=O)CCCCCCC(NCCC(=O)C1CCCCC1)C(=O)OCC,"InChI=1/C22H39NO5/c1-3-27-21(25)15-11-6-5-10-14-19(22(26)28-4-2)23-17-16-20(24)18-12-8-7-9-13-18/h18-19,23H,3-17H2,1-2H3",C22H39NO5,,,,,,CXZWPQUTSPAXLM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.806,251-502-3,33402-03-8,Metaraminol hydrogen (+)-tartrate,"3-(2-amino-1-hydroxypropyl)phenol 2,3-dihydroxysuccinate (salt)",C[C@H](N)[C@H](O)c1cccc(O)c1.OC(C(O)C(=O)O)C(=O)O,C[C@H](N)[C@H](O)c1cccc(O)c1.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)",C9H13NO2.C4H6O6,,,,,,VENXSELNXQXCNT-YDYUUSCQSA-N,,,,,,,,,,,
100.046.812,251-509-1,33419-42-0,Etoposide,"9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-ethylidene-beta-D-glucopyranoside",COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26,COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26,"InChI=1/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3",C29H32O13,,,,,,VJJPUSNTGOMMGY-NBJJDLTASA-N,,,,,,,,,,,
100.046.814,251-511-2,33421-53-3,"2,3-diphenylpyridine","2,3-diphenylpyridine",c1ccc(cc1)c2cccnc2c3ccccc3,c1ccc(cc1)c2cccnc2c3ccccc3,InChI=1/C17H13N/c1-3-8-14(9-4-1)16-12-7-13-18-17(16)15-10-5-2-6-11-15/h1-13H,C17H13N,,,,,,WKAXDAMWMOBXMP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.824,251-522-2,33434-63-8,Trichloro(tetrachlorophenyl)silane,"trichloro(2,3,4,5-tetrachlorophenyl)silane",Clc1cc(c(Cl)c(Cl)c1Cl)[Si](Cl)(Cl)Cl,Clc1cc(c(Cl)c(Cl)c1Cl)[Si](Cl)(Cl)Cl,"InChI=1/C6HCl7Si/c7-2-1-3(14(11,12)13)5(9)6(10)4(2)8/h1H",C6HCl7Si,,,,,,FFZNQXSOIIVDRB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.827,251-525-9,33446-27-4,a-cyclopropyl-a-4-dimethylbenzyl alcohol,1-cyclopropyl-1-(4-methylphenyl)ethanol,Cc1ccc(cc1)C(C)(O)C2CC2,Cc1ccc(cc1)C(C)(O)C2CC2,"InChI=1/C12H16O/c1-9-3-5-10(6-4-9)12(2,13)11-7-8-11/h3-6,11,13H,7-8H2,1-2H3",C12H16O,,,,,,IJYCFWNBUFSFNP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.629,252-408-5,35158-39-5,3-bromo-3-(4-chlorobenzoyl)propionic acid,3-bromo-4-(4-chlorophenyl)-4-oxobutanoic acid,OC(=O)CC(Br)C(=O)c1ccc(Cl)cc1,OC(=O)CC(Br)C(=O)c1ccc(Cl)cc1,"InChI=1/C10H8BrClO3/c11-8(5-9(13)14)10(15)6-1-3-7(12)4-2-6/h1-4,8H,5H2,(H,13,14)",C10H8BrClO3,,,,,,IGOYRYSKKLREIH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.633,252-412-7,35164-39-7,"Isobutyric acid, ester with 2,2,4-trimethylpentane-1,3-diol benzoate","3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl benzoate",CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)C(C)C,CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)C(C)C,"InChI=1/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3",C19H28O4,,,,,,FFSJSGNXYKUSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.643,252-423-7,35185-60-5,3-ethyltetracosan-3-ol,3-ethyltetracosan-3-ol,CCCCCCCCCCCCCCCCCCCCCC(O)(CC)CC,CCCCCCCCCCCCCCCCCCCCCC(O)(CC)CC,"InChI=1/C26H54O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27,5-2)6-3/h27H,4-25H2,1-3H3",C26H54O,,,,,,MWAVENVCDCNNPF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.650,252-431-0,35203-44-2,1-propyl-1H-imidazole,1-propyl-1H-imidazole,CCCn1ccnc1,CCCn1ccnc1,"InChI=1/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3",C6H10N2,,,,,,IYVYLVCVXXCYRI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.651,252-432-6,35203-93-1,Indan-5-sulphonamide,indane-5-sulfonamide,NS(=O)(=O)c1ccc2CCCc2c1,NS(=O)(=O)c1ccc2CCCc2c1,"InChI=1/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)",C9H11NO2S,,,,,,XVQJTFMKKZBBSX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.652,252-433-1,35205-50-6,2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]propan-1-one hydrochloride,1-[4-(benzyloxy)phenyl]-2-[(1-methyl-2-phenoxyethyl)amino]propan-1-one hydrochloride,Cl.CC(COc1ccccc1)NC(C)C(=O)c2ccc(OCc3ccccc3)cc2,Cl.CC(COc1ccccc1)NC(C)C(=O)c2ccc(OCc3ccccc3)cc2,"InChI=1/C25H27NO3.ClH/c1-19(17-28-23-11-7-4-8-12-23)26-20(2)25(27)22-13-15-24(16-14-22)29-18-21-9-5-3-6-10-21;/h3-16,19-20,26H,17-18H2,1-2H3;1H",C25H27NO3.ClH,,,,,,VCJGIWCGPCCULN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.653,252-434-7,35205-54-0,1-methyl-2-phenoxyethylamine,1-phenoxypropan-2-amine,CC(N)COc1ccccc1,CC(N)COc1ccccc1,"InChI=1/C9H13NO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",C9H13NO,,,,,,IKYFHRVPKIFGMH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.654,252-435-2,35205-76-6,3-methylnon-2-enoic acid,3-methylnon-2-enoic acid,OC(=O)C=C(C)CCCCCC,OC(=O)C=C(C)CCCCCC,"InChI=1/C10H18O2/c1-3-4-5-6-7-9(2)8-10(11)12/h8H,3-7H2,1-2H3,(H,11,12)",C10H18O2,,,,,,UOOWECZOWUNYLA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.655,252-436-8,35206-02-1,"7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","7-(2-aminoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCN)c2C1=O,CN1C(=O)N(C)c2ncn(CCN)c2C1=O,"InChI=1/C9H13N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4,10H2,1-2H3",C9H13N5O2,,,,,,XUTQHTZFMFGXDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.657,252-438-9,35206-51-0,"1,3-dimethylbutyl 2-butenoate","1,3-dimethylbutyl but-2-enoate",CC(C)CC(C)OC(=O)C=CC,CC(C)CC(C)OC(=O)C=CC,"InChI=1/C10H18O2/c1-5-6-10(11)12-9(4)7-8(2)3/h5-6,8-9H,7H2,1-4H3",C10H18O2,,,,,,VCLJLOIXTASTGU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.663,252-445-7,35219-73-9,"3,3'-[(1-methylethylidene)bis(oxy)]bispropene","3,3'-[propane-2,2-diylbis(oxy)]bis(prop-1-ene)",CC(C)(OCC=C)OCC=C,CC(C)(OCC=C)OCC=C,"InChI=1/C9H16O2/c1-5-7-10-9(3,4)11-8-6-2/h5-6H,1-2,7-8H2,3-4H3",C9H16O2,,,,,,FMEUTDDJZQKSOU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.202,267-343-8,67845-94-7,4-heptadecylidene-3-tetradecyloxetan-2-one,4-heptadecylidene-3-tetradecyloxetan-2-one,O=C1OC(=CCCCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCC,O=C1OC(=CCCCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCC,"InChI=1/C34H64O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-32(34(35)36-33)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3",C34H64O2,,,,,,QRCIXSNAFQIQSW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.211,267-353-2,67846-04-2,"2-(8-heptadecenyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride","2-heptadec-8-en-1-yl-1,3-bis(2-hydroxyethyl)imidazolidin-1-ium chloride",[Cl-].OCCN1CC[NH+](CCO)C1CCCCCCCC=CCCCCCCCC,[Cl-].OCCN1CC[NH+](CCO)C1CCCCCCCC=CCCCCCCCC,"InChI=1/C24H48N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(20-22-27)18-19-26(24)21-23-28;/h9-10,24,27-28H,2-8,11-23H2,1H3;1H",C24H47N2O2.Cl,,,,,,KPGIBTFRMDDNBN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.213,267-355-3,67846-09-7,"Ethyl dihydrogen phosphate, compound with N,N-dimethyldodecylamine (1:1)","ethyl dihydrogen phosphate - N,N-dimethyldodecan-1-amine (1:1)",CN(C)CCCCCCCCCCCC.OP(=O)(O)OCC,CN(C)CCCCCCCCCCCC.OP(=O)(O)OCC,"InChI=1/C14H31N.C2H7O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-6-7(3,4)5/h4-14H2,1-3H3;2H2,1H3,(H2,3,4,5)",C14H31N.C2H7O4P,,,,,,GTURAICSVKMGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.216,267-359-5,67846-14-4,"(Z,Z)-1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium ethyl sulphate","1-ethyl-2-heptadec-8-en-1-yl-1-[2-(oleoylamino)ethyl]-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCC\\C=C/CCCCCCCC(=O)NCC[N+]1(CC)CCN=C1CCCCCCC\\C=C/CCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCC[N+]1(CC)CCN=C1CCCCCCC\C=C/CCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C42H79N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-43-37-39-45(41,6-3)40-38-44-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h19-22H,4-18,23-40H2,1-3H3;2H2,1H3,(H,3,4,5)",C42H80N3O.C2H5O4S,,,,,,RUYPFPITFAOONF-JDVCJPALSA-N,,,,,,,,,,,
100.061.221,267-364-2,67846-41-7,"Isopentyl octyl hydrogen phosphate, compound with 2-(dibutylamino)ethanol (1:1)",3-methylbutyl octyl hydrogen phosphate - 2-(dibutylamino)ethanol (1:1),CCCCCCCCOP(=O)(O)OCCC(C)C.CCCCN(CCO)CCCC,CCCCCCCCOP(=O)(O)OCCC(C)C.CCCCN(CCO)CCCC,"InChI=1/C13H29O4P.C10H23NO/c1-4-5-6-7-8-9-11-16-18(14,15)17-12-10-13(2)3;1-3-5-7-11(9-10-12)8-6-4-2/h13H,4-12H2,1-3H3,(H,14,15);12H,3-10H2,1-2H3",C13H29O4P.C10H23NO,,,,,,ZXUHSVBWXVYYKE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.861,261-467-6,58837-22-2,"3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one","3-(2-chloroethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=CC2=NC(=C(CCCl)C(=O)N2C=C1)C,CC1=CC2=NC(=C(CCCl)C(=O)N2C=C1)C,"InChI=1/C12H13ClN2O/c1-8-4-6-15-11(7-8)14-9(2)10(3-5-13)12(15)16/h4,6-7H,3,5H2,1-2H3",C12H13ClN2O,,,,,,TUXBVLXGIDGWBF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.869,261-476-5,58872-62-1,"N,N'-(2-chloro-1,4-phenylene)bis[4-[(2-chloro-4-nitrophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]","N,N'-(2-chloro-1,4-phenylene)bis{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-hydroxy-2-naphthamide}",Clc7cc(ccc7N=Nc5c6ccccc6cc(C(=O)Nc4ccc(NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2Cl)[N+]([O-])=O)c3O)cc4Cl)c5O)[N+]([O-])=O,Clc7cc(ccc7N=Nc5c6ccccc6cc(C(=O)Nc4ccc(NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2Cl)[N+]([O-])=O)c3O)cc4Cl)c5O)[N+]([O-])=O,"InChI=1/C40H23Cl3N8O8/c41-29-17-22(44-39(54)27-15-20-5-1-3-7-25(20)35(37(27)52)48-46-33-13-10-23(50(56)57)18-30(33)42)9-12-32(29)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-34-14-11-24(51(58)59)19-31(34)43/h1-19,52-53H,(H,44,54)(H,45,55)",C40H23Cl3N8O8,,,,,,OPOWLSIIXBYJDA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.871,261-478-6,58873-16-8,"Diethyl [[[3-[[[3-ethoxy-2-(ethoxycarbonyl)-1,3-dioxopropyl]amino]methyl]-3,5,5-trimethylcyclohexyl]amino]carbonyl]malonate","diethyl {[3-({[3-ethoxy-2-(ethoxycarbonyl)-3-oxopropanoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]carbamoyl}malonate",CCOC(=O)C(C(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC,CCOC(=O)C(C(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC,"InChI=1/C26H42N2O10/c1-8-35-21(31)17(22(32)36-9-2)19(29)27-15-26(7)13-16(12-25(5,6)14-26)28-20(30)18(23(33)37-10-3)24(34)38-11-4/h16-18H,8-15H2,1-7H3,(H,27,29)(H,28,30)",C26H42N2O10,,,,,,PDJVJIRYSAGEFO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.504,263-274-2,61852-27-5,2-ethyl-10H-phenothiazine,2-ethyl-10H-phenothiazine,CCc1ccc2Sc3ccccc3Nc2c1,CCc1ccc2Sc3ccccc3Nc2c1,"InChI=1/C14H13NS/c1-2-10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)16-14/h3-9,15H,2H2,1H3",C14H13NS,,,,,,GUVLXHBBADOSJP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.506,263-276-3,61853-30-3,"Undecanoic acid, compound with 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole (1:1)",undecanoic acid - 1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole (1:1),CCCCCCCCCCC(=O)O.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,CCCCCCCCCCC(=O)O.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,"InChI=1/C19H20ClN3.C11H22O2/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;1-2-3-4-5-6-7-8-9-10-11(12)13/h1-2,5-10H,3-4,11-14H2;2-10H2,1H3,(H,12,13)",C19H20ClN3.C11H22O2,,,,,,WVZNTANSGMGXOL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.509,263-280-5,61856-49-3,"1,2-dihydro-1-phenyl-2-thioxonicotinaldehyde","1-phenyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde",O=CC1=CC=CN(C1=S)c2ccccc2,O=CC1=CC=CN(C1=S)c2ccccc2,InChI=1/C12H9NOS/c14-9-10-5-4-8-13(12(10)15)11-6-2-1-3-7-11/h1-9H,C12H9NOS,,,,,,HWIVIFYITAJUPW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.948,268-163-2,68015-97-4,"4-[bis(benzoyl)amino]-2,5-diethoxybenzenediazonium sulphate","bis[4-(dibenzoylamino)-2,5-diethoxybenzenediazonium] sulfate",CCOc1cc(N(C(=O)c2ccccc2)C(=O)c3ccccc3)c(OCC)cc1[N+]#N.CCOc4cc(N(C(=O)c5ccccc5)C(=O)c6ccccc6)c(OCC)cc4[N+]#N.[O-]S(=O)(=O)[O-],CCOc1cc(N(C(=O)c2ccccc2)C(=O)c3ccccc3)c(OCC)cc1[N+]#N.CCOc4cc(N(C(=O)c5ccccc5)C(=O)c6ccccc6)c(OCC)cc4[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/2C24H22N3O4.H2O4S/c2*1-3-30-21-16-20(22(31-4-2)15-19(21)26-25)27(23(28)17-11-7-5-8-12-17)24(29)18-13-9-6-10-14-18;1-5(2,3)4/h2*5-16H,3-4H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",C24H26N3O2.HO4S,,,,,,JGBUAMUCCZLTBW-UHFFFAOYSA-L,,,,,,,,,,,
100.060.849,266-954-7,67701-36-4,"1,4-bis[(3-hydroxypropyl)amino]anthraquinone","1,4-bis[(3-hydroxypropyl)amino]-9,10-anthraquinone",OCCCNc1ccc(NCCCO)c2C(=O)c3ccccc3C(=O)c12,OCCCNc1ccc(NCCCO)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H22N2O4/c23-11-3-9-21-15-7-8-16(22-10-4-12-24)18-17(15)19(25)13-5-1-2-6-14(13)20(18)26/h1-2,5-8,21-24H,3-4,9-12H2",C20H22N2O4,,,,,,LUYYUZYWBTWOFO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.854,266-959-4,67707-75-9,"Ethyl 3,5,5-trimethylhexanoate","ethyl 3,5,5-trimethylhexanoate",CCOC(=O)CC(C)CC(C)(C)C,CCOC(=O)CC(C)CC(C)(C)C,"InChI=1/C11H22O2/c1-6-13-10(12)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3",C11H22O2,,,,,,NMZMQQBBZRGLPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.095,261-724-2,59377-75-2,"1,4,5,6,7,7a-hexahydro-1-[4-[2-morpholinoethoxy]phenyl]-2H-indol-2-one monohydrochloride","1-[4-(2-morpholin-4-ylethoxy)phenyl]-1,4,5,6,7,7a-hexahydro-2H-indol-2-one hydrochloride",Cl.O=C1C=C2CCCCC2N1c3ccc(OCCN4CCOCC4)cc3,Cl.O=C1C=C2CCCCC2N1c3ccc(OCCN4CCOCC4)cc3,"InChI=1/C20H26N2O3.ClH/c23-20-15-16-3-1-2-4-19(16)22(20)17-5-7-18(8-6-17)25-14-11-21-9-12-24-13-10-21;/h5-8,15,19H,1-4,9-14H2;1H",C20H26N2O3.ClH,,,,,,RSNLCCQFXOCUGU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.099,261-728-4,59384-02-0,1-chloro-5-oxo-L-proline,1-chloro-5-oxo-L-proline,OC(=O)[C@@H]1CCC(=O)N1Cl,OC(=O)[C@@H]1CCC(=O)N1Cl,"InChI=1/C5H6ClNO3/c6-7-3(5(9)10)1-2-4(7)8/h3H,1-2H2,(H,9,10)",C5H6ClNO3,,,,,,VIXYGCPHYDRYKT-VKHMYHEASA-N,,,,,,,,,,,
100.056.102,261-732-6,59388-58-8,"1,2,3,4-tetrahydro-2,2,4,7-tetramethylquinoline","2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinoline",CC1CC(C)(C)Nc2cc(C)ccc12,CC1CC(C)(C)Nc2cc(C)ccc12,"InChI=1/C13H19N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-7,10,14H,8H2,1-4H3",C13H19N,,,,,,NRWNXIXJZMSDAU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.108,261-738-9,59404-77-2,"5-oxo-DL-proline, compound with dodecyl 2-methylalaninate (1:1)",5-oxo-L-proline - dodecyl 2-methylalaninate (1:1),CCCCCCCCCCCCOC(=O)C(C)(C)N.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCOC(=O)C(C)(C)N.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C16H33NO2.C5H7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(18)16(2,3)17;7-4-2-1-3(6-4)5(8)9/h4-14,17H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C16H33NO2.C5H7NO3,,,,,,GONNPBYFECDJQX-HVDRVSQOSA-N,,,,,,,,,,,
100.056.109,261-739-4,59405-30-0,6-amino-4-hydroxy-5-[[4-[[[(4-methylcyclohexyl)oxy]carbonyl]amino]-2-sulphophenyl]azo]naphthalene-2-sulphonic acid,6-amino-4-hydroxy-5-{[4-({[(4-methylcyclohexyl)oxy]carbonyl}amino)-2-sulfophenyl]diazenyl}naphthalene-2-sulfonic acid,O=C(OC1CCC(C)CC1)Nc4ccc(N=Nc2c3c(O)cc(cc3ccc2N)S(O)(=O)=O)c(c4)S(O)(=O)=O,O=C(OC1CCC(C)CC1)Nc4ccc(N=Nc2c3c(O)cc(cc3ccc2N)S(O)(=O)=O)c(c4)S(O)(=O)=O,"InChI=1/C24H26N4O9S2/c1-13-2-6-16(7-3-13)37-24(30)26-15-5-9-19(21(11-15)39(34,35)36)27-28-23-18(25)8-4-14-10-17(38(31,32)33)12-20(29)22(14)23/h4-5,8-13,16,29H,2-3,6-7,25H2,1H3,(H,26,30)(H,31,32,33)(H,34,35,36)",C24H26N4O9S2,,,,,,DSSGQLRLUSQWRK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.112,261-743-6,59410-24-1,"N,2-diisopropyl-2,3-dimethylbutyramide","N,2-diisopropyl-2,3-dimethylbutanamide",CC(C)NC(=O)C(C)(C(C)C)C(C)C,CC(C)NC(=O)C(C)(C(C)C)C(C)C,"InChI=1/C12H25NO/c1-8(2)12(7,9(3)4)11(14)13-10(5)6/h8-10H,1-7H3,(H,13,14)",C12H25NO,,,,,,WGRZDAWYLITYAD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.113,261-744-1,59410-25-2,"N-(tert-butyl)-2-isopropyl-2,3-dimethylbutyramide","N-tert-butyl-2-isopropyl-2,3-dimethylbutanamide",CC(C)C(C)(C(C)C)C(=O)NC(C)(C)C,CC(C)C(C)(C(C)C)C(=O)NC(C)(C)C,"InChI=1/C13H27NO/c1-9(2)13(8,10(3)4)11(15)14-12(5,6)7/h9-10H,1-8H3,(H,14,15)",C13H27NO,,,,,,HLBUUBQQEJBMOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.116,261-747-8,59410-28-5,"N,2,2-triethylbutyramide","N,2,2-triethylbutanamide",CCNC(=O)C(CC)(CC)CC,CCNC(=O)C(CC)(CC)CC,"InChI=1/C10H21NO/c1-5-10(6-2,7-3)9(12)11-8-4/h5-8H2,1-4H3,(H,11,12)",C10H21NO,,,,,,KNBPKAJPYBLHSX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.754,263-549-7,62453-88-7,"2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1-methylethoxy]ethyl(diethyl)amine","2-[2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)-1-methylethoxy]-N,N-diethylethanamine",CCN(CC)CCOC(C)CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,CCN(CC)CCOC(C)CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C24H32ClN3O3S/c1-4-27(5-2)16-17-31-19(3)18-32(29,30)23-12-10-22(11-13-23)28-15-14-24(26-28)20-6-8-21(25)9-7-20/h6-13,19H,4-5,14-18H2,1-3H3",C24H32ClN3O3S,,,,,,RLFXOBFWTJBDLT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.755,263-550-2,62454-74-4,Potassium 2-chloro-4-sulphobenzoate,potassium 2-chloro-4-sulfobenzoate,[K+].OS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1,[K+].OS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1,"InChI=1/C7H5ClO5S.K/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10;/h1-3H,(H,9,10)(H,11,12,13);/q;+1/p-1",C7H5ClO5S.K,,,,,,ZBWIFOFJYNTDQA-UHFFFAOYSA-M,,,,,,,,,,,
100.057.761,263-557-0,62473-97-6,Potassium hydrogen 2-sulphonatobenzoate,potassium hydrogen 2-sulfonatobenzoate,[K+].[O-]C(=O)c1ccccc1S(=O)(=O)[O-],[K+].[O-]C(=O)c1ccccc1S(=O)(=O)[O-],"InChI=1/C7H6O5S.K/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-2",C7H6O5S.K,,,,,,JMCGARBKIAJZLC-UHFFFAOYSA-L,,,,,,,,,,,
100.059.882,265-889-1,65706-29-8,Diethyl 2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate,diethyl 2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate,CCOC(=O)CCCCCCC(NCCC(O)C1CCCCC1)C(=O)OCC,CCOC(=O)CCCCCCC(NCCC(O)C1CCCCC1)C(=O)OCC,"InChI=1/C22H41NO5/c1-3-27-21(25)15-11-6-5-10-14-19(22(26)28-4-2)23-17-16-20(24)18-12-8-7-9-13-18/h18-20,23-24H,3-17H2,1-2H3",C22H41NO5,,,,,,DWBUWRWBSIVVAH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.888,265-895-4,65728-19-0,"2,2,6,6-tetramethylpiperidine-4-carboxylic acid","2,2,6,6-tetramethylpiperidine-4-carboxylic acid",CC1(C)CC(CC(C)(C)N1)C(=O)O,CC1(C)CC(CC(C)(C)N1)C(=O)O,"InChI=1/C10H19NO2/c1-9(2)5-7(8(12)13)6-10(3,4)11-9/h7,11H,5-6H2,1-4H3,(H,12,13)",C10H19NO2,,,,,,QKXWNEXHGMFIGB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.892,265-901-5,65737-52-2,2-(oct-2-enyl)cyclopentan-1-one,2-oct-2-en-1-ylcyclopentanone,O=C1CCCC1CC=CCCCCC,O=C1CCCC1CC=CCCCCC,"InChI=1/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3",C13H22O,,,,,,QHEUOYOHVATZEB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.899,265-908-3,65749-39-5,Potassium (R)-[(3-ethoxy-1-methyl-3-oxopropylidene)amino]phenylacetate,potassium [(3-ethoxy-1-methyl-3-oxopropylidene)amino](phenyl)acetate,[K+].CCOC(=O)C\\C(=N\\[C@@H](C(=O)[O-])c1ccccc1)\\C,[K+].CCOC(=O)C\C(=N\[C@@H](C(=O)[O-])c1ccccc1)\C,"InChI=1/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-8,13H,3,9H2,1-2H3,(H,17,18);/q;+1/p-1",C14H17NO4.K,,,,,,NNTAWXTYOPKLIR-GZBVNRNUSA-M,,,,,,,,,,,
100.059.905,265-915-1,65767-36-4,"4,5-dihydrothiazol-2-amine sulphate","4,5-dihydro-1,3-thiazol-2-amine sulfate",NC1=NCCS1.OS(=O)(=O)O,NC1=NCCS1.OS(=O)(=O)O,"InChI=1/C3H6N2S.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h1-2H2,(H2,4,5);(H2,1,2,3,4)",C3H6N2S.xH2O4S,,,,,,HMFCCVGAFFKVDM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.907,265-917-2,65776-60-5,"2-methyl-4,6-di(p-tolyl)pyrylium tetrafluoroborate","2-methyl-4,6-bis(4-methylphenyl)pyrylium tetrafluoroborate",Cc1ccc(cc1)c2cc(C)[o+]c(c2)c3ccc(C)cc3.F[B-](F)(F)F,Cc1ccc(cc1)c2cc(C)[o+]c(c2)c3ccc(C)cc3.F[B-](F)(F)F,"InChI=1/C20H19O.BF4/c1-14-4-8-17(9-5-14)19-12-16(3)21-20(13-19)18-10-6-15(2)7-11-18;2-1(3,4)5/h4-13H,1-3H3;/q+1;-1",C20H19O.BF4,,,,,,WCQITYLQHFJMIX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.909,265-919-3,65776-62-7,2-(dodecylsulphonyl)acetamide,2-(dodecylsulfonyl)acetamide,CCCCCCCCCCCCS(=O)(=O)CC(=O)N,CCCCCCCCCCCCS(=O)(=O)CC(=O)N,"InChI=1/C14H29NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19(17,18)13-14(15)16/h2-13H2,1H3,(H2,15,16)",C14H29NO3S,,,,,,AMNDVZSZNQTIAD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.911,265-921-4,65776-64-9,3-(3-hydroxypropyl)-5-methoxy-2-methylbenzothiazolium iodide,"3-(3-hydroxypropyl)-5-methoxy-2-methyl-1,3-benzothiazol-3-ium iodide",[I-].COc1ccc2sc(C)[n+](CCCO)c2c1,[I-].COc1ccc2sc(C)[n+](CCCO)c2c1,"InChI=1/C12H16NO2S.HI/c1-9-13(6-3-7-14)11-8-10(15-2)4-5-12(11)16-9;/h4-5,8,14H,3,6-7H2,1-2H3;1H/q+1;/p-1",C12H16NO2S.I,,,,,,XBGABTWBPWSCNG-UHFFFAOYSA-M,,,,,,,,,,,
100.059.912,265-923-5,65776-65-0,N-(3-bromo-2-naphthyl)ethanethioamide,N-(3-bromo-2-naphthyl)ethanethioamide,CC(=S)Nc1cc2ccccc2cc1Br,CC(=S)Nc1cc2ccccc2cc1Br,"InChI=1/C12H10BrNS/c1-8(15)14-12-7-10-5-3-2-4-9(10)6-11(12)13/h2-7H,1H3,(H,14,15)",C12H10BrNS,,,,,,GJYSHKHREVFSIB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.917,265-928-2,65799-08-8,"1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium","1-(carboxymethyl)-1-(2-hydroxyethyl)-2-undecyl-4,5-dihydro-1H-imidazol-1-ium",CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O,"InChI=1/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23/h21H,2-16H2,1H3/p+1",C18H35N2O3,,,,,,FWIJLRSOBQIWFM-UHFFFAOYSA-O,,,,,,,,,,,
100.059.921,265-932-4,65816-20-8,Ethyl 4-[[(ethylphenylamino)methylene]amino]benzoate,ethyl 4-({[ethyl(phenyl)amino]methylene}amino)benzoate,CCOC(=O)c2ccc(N=CN(CC)c1ccccc1)cc2,CCOC(=O)c2ccc(N=CN(CC)c1ccccc1)cc2,"InChI=1/C18H20N2O2/c1-3-20(17-8-6-5-7-9-17)14-19-16-12-10-15(11-13-16)18(21)22-4-2/h5-14H,3-4H2,1-2H3",C18H20N2O2,,,,,,LTGPEBRDBMFYBR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.139,267-273-8,67828-51-7,"4,4'-(5-hydroxypentylidene)bisresorcinol","4,4'-(5-hydroxypentane-1,1-diyl)dibenzene-1,3-diol",OCCCCC(c1ccc(O)cc1O)c2ccc(O)cc2O,OCCCCC(c1ccc(O)cc1O)c2ccc(O)cc2O,"InChI=1/C17H20O5/c18-8-2-1-3-13(14-6-4-11(19)9-16(14)21)15-7-5-12(20)10-17(15)22/h4-7,9-10,13,18-22H,1-3,8H2",C17H20O5,,,,,,INPTVGAWRSNOSM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.142,267-276-4,67828-56-2,3-methoxy-4-(pyrrolidinyl)benzenediazonium tetrachlorozincate (2:1),bis(3-methoxy-4-pyrrolidin-1-ylbenzenediazonium) tetrachlorozincate(2-),COc1cc(ccc1N2CCCC2)[N+]#N.COc3cc(ccc3N4CCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,COc1cc(ccc1N2CCCC2)[N+]#N.COc3cc(ccc3N4CCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C11H14N3O.4ClH.Zn/c2*1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;;;;;/h2*4-5,8H,2-3,6-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H14N3O.Cl4Zn/c2*1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;1-5(2,3)4/h2*4-5,8H,2-3,6-7H2,1H3;/q2*+1;-2",C11H14N3O.1/2Cl4Zn,,,,,,YQJWFSQMAGKGNT-UHFFFAOYSA-J,,,,,,,,,,,
100.061.145,267-280-6,67828-61-9,"Ethyl (2,4-dihydroxyphenyl)glycolate","ethyl (2,4-dihydroxyphenyl)(hydroxy)acetate",CCOC(=O)C(O)c1ccc(O)cc1O,CCOC(=O)C(O)c1ccc(O)cc1O,"InChI=1/C10H12O5/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12/h3-5,9,11-13H,2H2,1H3",C10H12O5,,,,,,HYPNAAKNJGPLND-UHFFFAOYSA-N,,,,,,,,,,,
100.047.668,252-450-4,35234-16-3,Methyl (E)oct-3-enoate,methyl oct-3-enoate,CCCCC=CCC(=O)OC,CCCCC=CCC(=O)OC,"InChI=1/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h6-7H,3-5,8H2,1-2H3",C9H16O2,,,,,,HAGXFSMJELVHFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.670,252-453-0,35234-88-9,"Diethyl 2,3-dicyanofumarate","diethyl 2,3-dicyanobut-2-enedioate",CCOC(=O)\\C(=C(/C#N)\\C(=O)OCC)\\C#N,CCOC(=O)\C(=C(/C#N)\C(=O)OCC)\C#N,"InChI=1/C10H10N2O4/c1-3-15-9(13)7(5-11)8(6-12)10(14)16-4-2/h3-4H2,1-2H3",C10H10N2O4,,,,,,WOLPMKLWSJWZNO-BQYQJAHWSA-N,,,,,,,,,,,
100.061.741,267-935-6,67952-98-1,"Nonanoic acid, compound with morpholine (1:1)",nonanoic acid - morpholine (1:1),CCCCCCCCC(=O)O.C1COCCN1,CCCCCCCCC(=O)O.C1COCCN1,"InChI=1/C9H18O2.C4H9NO/c1-2-3-4-5-6-7-8-9(10)11;1-3-6-4-2-5-1/h2-8H2,1H3,(H,10,11);5H,1-4H2",C9H18O2.C4H9NO,,,,,,NKJHSNBLMRLJOE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.743,267-937-7,67953-00-8,"Octacosanoic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)","octacosanoic acid - 1,1'-iminodipropan-2-ol (1:1)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CNCC(C)O,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CNCC(C)O,"InChI=1/C28H56O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;1-5(8)3-7-4-6(2)9/h2-27H2,1H3,(H,29,30);5-9H,3-4H2,1-2H3",C28H56O2.C6H15NO2,,,,,,ISBNSGCDQLFIAI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.745,267-939-8,67953-02-0,"2-(hydroxymethyl)butane-1,3-diol","2-(hydroxymethyl)butane-1,3-diol",CC(O)C(CO)CO,CC(O)C(CO)CO,"InChI=1/C5H12O3/c1-4(8)5(2-6)3-7/h4-8H,2-3H2,1H3",C5H12O3,,,,,,BTAREPMBYAAWOX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.746,267-940-3,67953-03-1,"N-(3-aminopropyl)-2-butene-1,4-diamine","N-(3-aminopropyl)but-2-ene-1,4-diamine",NCCCNCC=CCN,NCCCNCC=CCN,"InChI=1/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h1-2,10H,3-9H2",C7H17N3,,,,,,WLSWOWSGPRTMKO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.626,262-308-3,60580-60-1,Lead 5-nitroterephthalate,lead(4+) bis(2-nitroterephthalate),[Pb+2].O=[N+]([O-])C=1/C=C(\\C=C/C=1C([O-])=O)C([O-])=O,[Pb+2].O=[N+]([O-])C=1/C=C(\C=C/C=1C([O-])=O)C([O-])=O,"InChI=1/C8H5NO6.Pb.2H/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;;;/h1-3H,(H,10,11)(H,12,13);;;/q;+4;;/p-2/rC8H5NO6.H2Pb/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;/h1-3H,(H,10,11)(H,12,13);1H2/q;+4/p-2",C8H5NO6.Pb,,,,,,BBUSXYPIFFHFHF-UHFFFAOYSA-L,,,,,,,,,,,
100.056.629,262-312-5,60584-76-1,[[(phenylmethoxy)carbonyl]amino]phenylacetic acid,{[(benzyloxy)carbonyl]amino}(phenyl)acetic acid,OC(=O)C(NC(=O)OCc1ccccc1)c2ccccc2,OC(=O)C(NC(=O)OCc1ccccc1)c2ccccc2,"InChI=1/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)",C16H15NO4,,,,,,RLDJWBVOZVJJOS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.633,262-316-7,60594-62-9,Threo-4-hydroxy-L-lysine,4-hydroxy-L-lysine,NCC[C@@H](O)C[C@H](N)C(=O)O,NCC[C@@H](O)C[C@H](N)C(=O)O,"InChI=1/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)",C6H14N2O3,,,,,,ASYBZHICIMVQII-UHNVWZDZSA-N,,,,,,,,,,,
100.056.635,262-318-8,60595-56-4,2-butoxyethyl a-phenylpiperidine-1-acetate hydrobromide,2-butoxyethyl phenyl(piperidin-1-yl)acetate hydrobromide,Br.CCCCOCCOC(=O)C(N1CCCCC1)c2ccccc2,Br.CCCCOCCOC(=O)C(N1CCCCC1)c2ccccc2,"InChI=1/C19H29NO3.BrH/c1-2-3-14-22-15-16-23-19(21)18(17-10-6-4-7-11-17)20-12-8-5-9-13-20;/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3;1H",C19H29NO3.BrH,,,,,,DIKZTARJMXAIGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.637,262-320-9,60607-34-3,Oxatomide,"1-{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}-1,3-dihydro-2H-benzimidazol-2-one",O=C1Nc2ccccc2N1CCCN3CCN(CC3)C(c4ccccc4)c5ccccc5,O=C1Nc2ccccc2N1CCCN3CCN(CC3)C(c4ccccc4)c5ccccc5,"InChI=1/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)",C27H30N4O,,,,,,BAINIUMDFURPJM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.642,262-326-1,60609-53-2,(Z)-14-methylhexadec-8-enal,14-methylhexadec-8-enal,CCC(C)CCCC\\C=C/CCCCCCC=O,CCC(C)CCCC\C=C/CCCCCCC=O,"InChI=1/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3",C17H32O,,,,,,HSGUJTMCFWXGAP-ALCCZGGFSA-N,,,,,,,,,,,
100.056.648,262-332-4,60619-55-8,"3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-6-[(diethylamino)methyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one","6-[(diethylamino)methyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",CCN(CC)Cc1c(O)cc2OC(=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)c2c1O)c5ccc(O)c(O)c5,CCN(CC)Cc1c(O)cc2OC(=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)c2c1O)c5ccc(O)c(O)c5,"InChI=1/C32H41NO16/c1-4-33(5-2)10-14-16(35)9-18-20(22(14)38)24(40)30(29(47-18)13-6-7-15(34)17(36)8-13)49-32-28(44)26(42)23(39)19(48-32)11-45-31-27(43)25(41)21(37)12(3)46-31/h6-9,12,19,21,23,25-28,31-32,34-39,41-44H,4-5,10-11H2,1-3H3",C32H41NO16,,,,,,UPTFTWONNQNOMG-JRXLSPJQSA-N,,,,,,,,,,,
100.056.652,262-337-1,60628-98-0,Lombazole,1-[biphenyl-4-yl(2-chlorophenyl)methyl]-1H-imidazole,Clc1ccccc1C(c2ccc(cc2)c3ccccc3)n4ccnc4,Clc1ccccc1C(c2ccc(cc2)c3ccccc3)n4ccnc4,"InChI=1/C22H17ClN2/c23-21-9-5-4-8-20(21)22(25-15-14-24-16-25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,22H",C22H17ClN2,,,,,,DALSNPRWUFOYDT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.516,263-287-3,61886-33-7,3-amino-4-hydroxybenzenesulphonamide monohydrochloride,3-amino-4-hydroxybenzenesulfonamide hydrochloride,Cl.Nc1cc(ccc1O)S(=O)(=O)N,Cl.Nc1cc(ccc1O)S(=O)(=O)N,"InChI=1/C6H8N2O3S.ClH/c7-5-3-4(12(8,10)11)1-2-6(5)9;/h1-3,9H,7H2,(H2,8,10,11);1H",C6H8N2O3S.ClH,,,,,,UXNSGIACBTYWKX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.024,263-846-1,63082-99-5,Sodium 5-carboxy-4-hexylcyclohex-2-ene-1-octanoate,sodium 8-(5-carboxy-4-hexylcyclohex-2-en-1-yl)octanoate,[Na+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O,[Na+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O,"InChI=1/C21H36O4.Na/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1",C21H36O4.Na,,,,,,ZNBZNWFTONMVPR-UHFFFAOYSA-M,,,,,,,,,,,
100.058.025,263-847-7,63084-98-0,Bis[(4-hydroxyphenyl)ammonium] sulphate,bis(4-hydroxyanilinium) sulfate,[NH3+]c1ccc(O)cc1.[NH3+]c2ccc(O)cc2.[O-]S(=O)(=O)[O-],[NH3+]c1ccc(O)cc1.[NH3+]c2ccc(O)cc2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H7NO.H2O4S/c2*7-5-1-3-6(8)4-2-5;1-5(2,3)4/h2*1-4,8H,7H2;(H2,1,2,3,4)",C6H7NO.1/2H2O4S,,,,,,NSVXDQGLBWXGQK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.027,263-849-8,63095-27-2,"12-methyl-2,5,8,11-tetraoxatridecane","12-methyl-2,5,8,11-tetraoxatridecane",COCCOCCOCCOC(C)C,COCCOCCOCCOC(C)C,"InChI=1/C10H22O4/c1-10(2)14-9-8-13-7-6-12-5-4-11-3/h10H,4-9H2,1-3H3",C10H22O4,,,,,,VIQKXLIYROUVRO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.028,263-850-3,63095-28-3,"15-methyl-2,5,8,11,14-pentaoxahexadecane","15-methyl-2,5,8,11,14-pentaoxahexadecane",COCCOCCOCCOCCOC(C)C,COCCOCCOCCOCCOC(C)C,"InChI=1/C12H26O5/c1-12(2)17-11-10-16-9-8-15-7-6-14-5-4-13-3/h12H,4-11H2,1-3H3",C12H26O5,,,,,,ZZFNGRIOLQBARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.029,263-851-9,63095-29-4,"18-methyl-2,5,8,11,14,17-hexaoxanonadecane","18-methyl-2,5,8,11,14,17-hexaoxanonadecane",COCCOCCOCCOCCOCCOC(C)C,COCCOCCOCCOCCOCCOC(C)C,"InChI=1/C14H30O6/c1-14(2)20-13-12-19-11-10-18-9-8-17-7-6-16-5-4-15-3/h14H,4-13H2,1-3H3",C14H30O6,,,,,,BGKYXKRAQUSQCT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.032,263-855-0,63101-12-2,Triethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium ethyl sulphate,"N,N,N-triethyl-2-(methacryloyloxy)ethanaminium ethyl sulfate",CCOS(=O)(=O)[O-].CC[N+](CC)(CC)CCOC(=O)C(=C)C,CCOS(=O)(=O)[O-].CC[N+](CC)(CC)CCOC(=O)C(=C)C,"InChI=1/C12H24NO2.C2H6O4S/c1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;1-2-6-7(3,4)5/h4,6-10H2,1-3,5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C12H24NO2.C2H5O4S,,,,,,XJFXQQWVLYWJJH-UHFFFAOYSA-M,,,,,,,,,,,
100.058.043,263-867-6,63123-15-9,"Bis(1,1,3,3-tetramethylbutyl)hydroquinone","2,3-bis(1,1,3,3-tetramethylbutyl)benzene-1,4-diol",CC(C)(C)CC(C)(C)c1c(O)ccc(O)c1C(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)c1c(O)ccc(O)c1C(C)(C)CC(C)(C)C,"InChI=1/C22H38O2/c1-19(2,3)13-21(7,8)17-15(23)11-12-16(24)18(17)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3",C22H38O2,,,,,,WNOVBLHBCHOXKD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.053,263-878-6,63123-34-2,3-(2-hydroxyethyl)-2-methylbenzothiazolium bromide,"3-(2-hydroxyethyl)-2-methyl-1,3-benzothiazol-3-ium bromide",[Br-].Cc1sc2ccccc2[n+]1CCO,[Br-].Cc1sc2ccccc2[n+]1CCO,"InChI=1/C10H12NOS.BrH/c1-8-11(6-7-12)9-4-2-3-5-10(9)13-8;/h2-5,12H,6-7H2,1H3;1H/q+1;/p-1",C10H12NOS.Br,,,,,,KMZBNPIZUBVKDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.060,263-885-4,63123-44-4,Methyl 2-(p-aminophenoxy)myristate,methyl 2-(4-aminophenoxy)tetradecanoate,CCCCCCCCCCCCC(Oc1ccc(N)cc1)C(=O)OC,CCCCCCCCCCCCC(Oc1ccc(N)cc1)C(=O)OC,"InChI=1/C21H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-20(21(23)24-2)25-19-16-14-18(22)15-17-19/h14-17,20H,3-13,22H2,1-2H3",C21H35NO3,,,,,,MXQQOPRYJPRJKH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.065,263-891-7,63133-74-4,[ethyl(3-methylphenyl)amino]acetonitrile,[ethyl(3-methylphenyl)amino]acetonitrile,CCN(CC#N)c1cccc(C)c1,CCN(CC#N)c1cccc(C)c1,"InChI=1/C11H14N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,8H2,1-2H3",C11H14N2,,,,,,XLAYCZJJQWGFAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.413,265-374-1,65072-45-9,Hydrogen 1-(3-sulphonatopropyl)-2-[[3-(3-sulphonatopropyl)benzothiazol-2(3H)-ylidene]methyl]quinolinium,"hydrogen 3-(2-{[3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}quinolinium-1-yl)propane-1-sulfonate",[H+].[O-]S(=O)(=O)CCC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2CCCS([O-])(=O)=O,[H+].[O-]S(=O)(=O)CCC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2CCCS([O-])(=O)=O,"InChI=1/C23H24N2O6S3.H2/c26-33(27,28)15-5-13-24-19(12-11-18-7-1-2-8-20(18)24)17-23-25(14-6-16-34(29,30)31)21-9-3-4-10-22(21)32-23;/h1-4,7-12,17H,5-6,13-16H2,(H-,26,27,28,29,30,31);1H/q;+1/p-1",C23H24N2O6S3,,,,,,KPMOTKVHMBUWQP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.422,265-384-6,65086-71-7,"1,1'-(octadecenylimino)bispropan-2-ol","1,1'-(octadec-1-en-1-ylimino)dipropan-2-ol",CC(O)CN(C=CCCCCCCCCCCCCCCCC)CC(O)C,CC(O)CN(C=CCCCCCCCCCCCCCCCC)CC(O)C,"InChI=1/C24H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h19-20,23-24,26-27H,4-18,21-22H2,1-3H3",C24H49NO2,,,,,,HXAKPWJCZZAIMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.427,265-389-3,65086-99-9,"4,4'-methylenebis[2-[(4-aminophenyl)methyl]aniline]","4,4'-methylenebis[2-(4-aminobenzyl)aniline]",Nc1ccc(Cc2cc(Cc3ccc(N)c(Cc4ccc(N)cc4)c3)ccc2N)cc1,Nc1ccc(Cc2cc(Cc3ccc(N)c(Cc4ccc(N)cc4)c3)ccc2N)cc1,"InChI=1/C27H28N4/c28-24-7-1-18(2-8-24)14-22-16-20(5-11-26(22)30)13-21-6-12-27(31)23(17-21)15-19-3-9-25(29)10-4-19/h1-12,16-17H,13-15,28-31H2",C27H28N4,,,,,,BCYHURLIXRJERG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.662,265-648-0,65235-31-6,4-[(2-hydroxyethyl)amino]-3-nitrophenol,4-[(2-hydroxyethyl)amino]-3-nitrophenol,OCCNc1ccc(O)cc1[N+](=O)[O-],OCCNc1ccc(O)cc1[N+](=O)[O-],"InChI=1/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2",C8H10N2O4,,,,,,UXKLYBMQAHYULT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.678,265-665-3,65271-28-5,"Tetrasodium 4,5-dihydroxy-3,6-bis[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","tetrasodium 4,5-dihydroxy-3,6-bis[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(C)ccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccc(C)cc2S([O-])(=O)=O)c3O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(C)ccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccc(C)cc2S([O-])(=O)=O)c3O)S([O-])(=O)=O,"InChI=1/C24H20N4O14S4.4Na/c1-11-3-5-14(16(7-11)43(31,32)33)25-27-21-18(45(37,38)39)9-13-10-19(46(40,41)42)22(24(30)20(13)23(21)29)28-26-15-6-4-12(2)8-17(15)44(34,35)36;;;;/h3-10,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4",C24H20N4O14S4.4Na,,,,,,VQOGZWSJYAHWJQ-UHFFFAOYSA-J,,,,,,,,,,,
100.059.687,265-675-8,65287-17-4,Potassium 3-hydroxypropanesulphonate,potassium 3-hydroxypropane-1-sulfonate,[K+].OCCCS(=O)(=O)[O-],[K+].OCCCS(=O)(=O)[O-],"InChI=1/C3H8O4S.K/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1",C3H8O4S.K,,,,,,BIVUYQLSQGNAFM-UHFFFAOYSA-M,,,,,,,,,,,
100.059.690,265-678-4,65293-90-5,"2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)azo]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide","2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-({4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}amino)phenyl]tetradecanamide",CC(C)(C)c1cc(ccc1O)OC(CCCCCCCCCCCC)C(=O)Nc5cc(N/C4=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C4N=Nc3ccc(OC)c(OC)c3)c(Cl)cc5,CC(C)(C)c1cc(ccc1O)OC(CCCCCCCCCCCC)C(=O)Nc5cc(N/C4=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C4N=Nc3ccc(OC)c(OC)c3)c(Cl)cc5,"InChI=1/C47H56Cl4N6O6/c1-7-8-9-10-11-12-13-14-15-16-17-40(63-32-20-22-38(58)33(28-32)47(2,3)4)45(59)52-30-18-21-34(49)37(26-30)53-44-42(55-54-31-19-23-39(61-5)41(27-31)62-6)46(60)57(56-44)43-35(50)24-29(48)25-36(43)51/h18-28,40,42,58H,7-17H2,1-6H3,(H,52,59)(H,53,56)",C47H56Cl4N6O6,,,,,,XCUBBBXGENOKTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.954,268-170-0,68016-04-6,"2-acetamido-3,5-dimethoxybenzenesulphonyl chloride","2-acetamido-3,5-dimethoxybenzenesulfonyl chloride",COc1cc(OC)c(NC(=O)C)c(c1)S(=O)(=O)Cl,COc1cc(OC)c(NC(=O)C)c(c1)S(=O)(=O)Cl,"InChI=1/C10H12ClNO5S/c1-6(13)12-10-8(17-3)4-7(16-2)5-9(10)18(11,14)15/h4-5H,1-3H3,(H,12,13)",C10H12ClNO5S,,,,,,VJDVPZBKSXMSHM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.964,268-181-0,68025-23-0,"5-[(butylsulphonyl)amino]-2-methoxybenzenediazonium chloride, compound with zinc chloride","5-[(butylsulphonyl)amino]-2-methoxybenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CCCCS(=O)(=O)Nc1ccc(OC)c(c1)[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].CCCCS(=O)(=O)Nc1ccc(OC)c(c1)[N+]#N,"InChI=1/C11H16N3O3S.3ClH.Zn/c1-3-4-7-18(15,16)14-9-5-6-11(17-2)10(8-9)13-12;;;;/h5-6,8,14H,3-4,7H2,1-2H3;3*1H;/q+1;;;;+2/p-3",C11H16N3O3S.xCl2Zn.Cl,,,,,,KHYVVODILRLXFF-UHFFFAOYSA-K,,,,,,,,,,,
100.061.969,268-186-8,68025-28-5,"Dodecane-1,1,12,12-tetracarboxylic acid","dodecane-1,1,12,12-tetracarboxylic acid",OC(=O)C(CCCCCCCCCCC(C(=O)O)C(=O)O)C(=O)O,OC(=O)C(CCCCCCCCCCC(C(=O)O)C(=O)O)C(=O)O,"InChI=1/C16H26O8/c17-13(18)11(14(19)20)9-7-5-3-1-2-4-6-8-10-12(15(21)22)16(23)24/h11-12H,1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C16H26O8,,,,,,UTCXESIWEYTBMM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.981,268-199-9,68025-46-7,3-chloro-4-(dibutylamino)benzenediazonium tetrachlorozincate (2:1),bis[3-chloro-4-(dibutylamino)benzenediazonium] tetrachlorozincate(2-),CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.CCCCN(CCCC)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.CCCCN(CCCC)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H21ClN3.4ClH.Zn/c2*1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;;;;;/h2*7-8,11H,3-6,9-10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H21ClN3.Cl4Zn/c2*1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;1-5(2,3)4/h2*7-8,11H,3-6,9-10H2,1-2H3;/q2*+1;-2",C14H21ClN3.1/2Cl4Zn,,,,,,MCSUKBYDOHURLJ-UHFFFAOYSA-J,,,,,,,,,,,
100.061.984,268-202-3,68025-61-6,Calcium 4-[(4-chloro-3-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,calcium 4-[(4-chloro-3-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ca+2].Cc1c(c(ccc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,[Ca+2].Cc1c(c(ccc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ca/c1-9-13(19)6-7-14(17(9)28(25,26)27)20-21-15-11-5-3-2-4-10(11)8-12(16(15)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ca,,,,,,PIQFFHBHQFVQLL-UHFFFAOYSA-L,,,,,,,,,,,
100.056.376,262-033-9,60043-08-5,"N-[3,5-bis(1,1-dimethylethyl)-2-hydroxyphenyl]acetamide","N-(3,5-di-tert-butyl-2-hydroxyphenyl)acetamide",CC(=O)Nc1cc(cc(c1O)C(C)(C)C)C(C)(C)C,CC(=O)Nc1cc(cc(c1O)C(C)(C)C)C(C)(C)C,"InChI=1/C16H25NO2/c1-10(18)17-13-9-11(15(2,3)4)8-12(14(13)19)16(5,6)7/h8-9,19H,1-7H3,(H,17,18)",C16H25NO2,,,,,,CHAOLRKYRZZMKR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.159,267-295-8,67829-79-2,Cyclohexyl (4-chloro-2-methylphenoxy)acetate,cyclohexyl (4-chloro-2-methylphenoxy)acetate,Cc1cc(Cl)ccc1OCC(=O)OC2CCCCC2,Cc1cc(Cl)ccc1OCC(=O)OC2CCCCC2,"InChI=1/C15H19ClO3/c1-11-9-12(16)7-8-14(11)18-10-15(17)19-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3",C15H19ClO3,,,,,,AJWRKFICJCAFEK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.161,267-297-9,67829-81-6,Decyl (4-chloro-2-methylphenoxy)acetate,decyl (4-chloro-2-methylphenoxy)acetate,CCCCCCCCCCOC(=O)COc1ccc(Cl)cc1C,CCCCCCCCCCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C19H29ClO3/c1-3-4-5-6-7-8-9-10-13-22-19(21)15-23-18-12-11-17(20)14-16(18)2/h11-12,14H,3-10,13,15H2,1-2H3",C19H29ClO3,,,,,,CFONOMUMGULYJB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.168,267-306-6,67845-28-7,2-methyl-6-propoxypyrazine,2-methyl-6-propoxypyrazine,CCCOc1cncc(C)n1,CCCOc1cncc(C)n1,"InChI=1/C8H12N2O/c1-3-4-11-8-6-9-5-7(2)10-8/h5-6H,3-4H2,1-2H3",C8H12N2O,,,,,,RSYNIAMYGDKFMO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.182,267-321-8,67845-50-5,"4,8-dimethylnona-3,7-dien-2-ol","4,8-dimethylnona-3,7-dien-2-ol",C\\C(C)=C\\CCC(C)=CC(C)O,C\C(C)=C\CCC(C)=CC(C)O,"InChI=1/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3",C11H20O,,,,,,NYPOJSCNHYUZRG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.315,261-966-9,59867-68-4,"2,2-dichloro-1-(4-phenoxyphenyl)ethan-1-one","2,2-dichloro-1-(4-phenoxyphenyl)ethanone",ClC(Cl)C(=O)c1ccc(Oc2ccccc2)cc1,ClC(Cl)C(=O)c1ccc(Oc2ccccc2)cc1,"InChI=1/C14H10Cl2O2/c15-14(16)13(17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11/h1-9,14H",C14H10Cl2O2,,,,,,JHGGYGMFCRSWIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.321,261-973-7,59887-89-7,7-hydroxy-4-benzopyrone,7-hydroxy-4H-chromen-4-one,Oc1ccc2C(=O)C=COc2c1,Oc1ccc2C(=O)C=COc2c1,"InChI=1/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H",C9H6O3,,,,,,WVJCRTSTRGRJJT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.324,261-976-3,59897-93-7,"Methyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",COC(=O)C1C(C=C(Cl)Cl)C1(C)C,COC(=O)C1C(C=C(Cl)Cl)C1(C)C,"InChI=1/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3",C9H12Cl2O2,,,,,,QJOOIMSFFIUFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.330,261-983-1,59908-45-1,Lithium pyridine-2-carboxylate,lithium pyridine-2-carboxylate,[Li+].[O-]C(=O)c1ccccn1,[Li+].[O-]C(=O)c1ccccn1,"InChI=1/C6H5NO2.Li/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);/q;+1/p-1",C6H5NO2.Li,,,,,,VTCJSSWWQRJTKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.056.339,261-993-6,59960-26-8,"Sodium 5,5-diethyl-1-phenylbarbiturate","sodium 5,5-diethyl-4,6-dioxo-1-phenyl-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1(CC)C(=O)N=C([O-])N(C1=O)c2ccccc2,[Na+].CCC1(CC)C(=O)N=C([O-])N(C1=O)c2ccccc2,"InChI=1/C14H16N2O3.Na/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3,(H,15,17,19);/q;+1/p-1",C14H16N2O3.Na,,,,,,XMBUSMPNPGGMHG-UHFFFAOYSA-M,,,,,,,,,,,
100.056.346,262-000-9,59965-28-5,"Bis(2-ethylhexyl) hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","bis(2-ethylhexyl) hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.OCCN(CCO)CCO,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.OCCN(CCO)CCO,"InChI=1/C16H35O4P.C6H15NO3/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;8-4-1-7(2-5-9)3-6-10/h15-16H,5-14H2,1-4H3,(H,17,18);8-10H,1-6H2",C16H35O4P.C6H15NO3,,,,,,AXYIBFPMPQBHTE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.359,262-015-0,59994-21-7,N-(3-aminophenyl)-3-oxobutyramide monohydrochloride,N-(3-aminophenyl)-3-oxobutanamide hydrochloride,Cl.CC(=O)CC(=O)Nc1cccc(N)c1,Cl.CC(=O)CC(=O)Nc1cccc(N)c1,"InChI=1/C10H12N2O2.ClH/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9;/h2-4,6H,5,11H2,1H3,(H,12,14);1H",C10H12N2O2.ClH,,,,,,QIBSDOIXYFFEEV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.363,262-019-2,60007-93-4,"D-Gluconic acid, aluminum salt (3:1)",-,[Al+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Al+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C6H12O7.Al/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+3/p-1",C6H12O7.1/3Al,,,,,,OYHAPNSRJBPHAR-JJKGCWMISA-M,,,,,,,,,,,
100.056.365,262-021-3,60010-51-7,"2,2,2-trichloroethyl dichlorophosphite","2,2,2-trichloroethyl dichlorophosphite",ClP(Cl)OCC(Cl)(Cl)Cl,ClP(Cl)OCC(Cl)(Cl)Cl,"InChI=1/C2H2Cl5OP/c3-2(4,5)1-8-9(6)7/h1H2",C2H2Cl5OP,,,,,,JDQSRCYXSKTAIX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.369,262-026-0,60024-34-2,"1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]azo]nicotinonitrile","6-hydroxy-4-methyl-2-oxo-5-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]diazenyl}-1,2-dihydropyridine-3-carbonitrile",C\\C4=C(/C#N)C(=O)NC(\\O)=C4\\N=Nc3ccccc3c1nc(no1)c2ccccc2,C\C4=C(/C#N)C(=O)NC(\O)=C4\N=Nc3ccccc3c1nc(no1)c2ccccc2,"InChI=1/C21H14N6O3/c1-12-15(11-22)19(28)24-20(29)17(12)26-25-16-10-6-5-9-14(16)21-23-18(27-30-21)13-7-3-2-4-8-13/h2-10H,1H3,(H2,24,28,29)",C21H14N6O3,,,,,,CFSKOYDJFFEWTM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.370,262-027-6,60026-17-7,1-(3-methylbutyl)pyrrolidine,1-(3-methylbutyl)pyrrolidine,CC(C)CCN1CCCC1,CC(C)CCN1CCCC1,"InChI=1/C9H19N/c1-9(2)5-8-10-6-3-4-7-10/h9H,3-8H2,1-2H3",C9H17NO,,,,,,VPXUTZPMWJIVMW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.653,262-338-7,60640-92-8,"N-[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]-N'-phenylbenzene-1,4-diamine","N-[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]-N'-phenylbenzene-1,4-diamine",C=CCOc1nc(Nc2ccc(Nc3ccccc3)cc2)nc(OCC=C)n1,C=CCOc1nc(Nc2ccc(Nc3ccccc3)cc2)nc(OCC=C)n1,"InChI=1/C21H21N5O2/c1-3-14-27-20-24-19(25-21(26-20)28-15-4-2)23-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h3-13,22H,1-2,14-15H2,(H,23,24,25,26)",C21H21N5O2,,,,,,JWTDUUYINZWIBA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.657,262-342-9,60642-69-5,Bis(2-mercaptoethyl) sebacate,bis(2-sulfanylethyl) sebacate,SCCOC(=O)CCCCCCCCC(=O)OCCS,SCCOC(=O)CCCCCCCCC(=O)OCCS,"InChI=1/C14H26O4S2/c15-13(17-9-11-19)7-5-3-1-2-4-6-8-14(16)18-10-12-20/h19-20H,1-12H2",C14H26O4S2,,,,,,ZQYBCMFYQIVHKA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.659,262-345-5,60643-23-4,O-benzyl-L-arginine bis(toluene-p-sulphonate),benzyl argininate bis(4-methylbenzenesulfonate),Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.N[C@@H](CCCNC(=N)N)C(=O)OCc3ccccc3,Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.N[C@@H](CCCNC(=N)N)C(=O)OCc3ccccc3,"InChI=1/C13H20N4O2.2C7H8O3S/c14-11(7-4-8-17-13(15)16)12(18)19-9-10-5-2-1-3-6-10;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,11H,4,7-9,14H2,(H4,15,16,17);2*2-5H,1H3,(H,8,9,10)",C13H20N4O2.2C7H8O3S,,,,,,QIBXSXIUKNEWDS-IDMXKUIJSA-N,,,,,,,,,,,
100.056.660,262-346-0,60643-92-7,"1-(2,4-dinitrophenyl)-L-prolyl-L-leucylglycyl-L-isoleucyl-L-alanylglycyl-L-argininamide","1-(2,4-dinitrophenyl)-L-prolyl-L-leucylglycyl-D-isoleucyl-L-alanylglycyl-L-argininamide",CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N,CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N,"InChI=1/C36H57N13O11/c1-6-20(4)30(35(56)43-21(5)32(53)41-17-28(50)44-23(31(37)52)9-7-13-40-36(38)39)46-29(51)18-42-33(54)24(15-19(2)3)45-34(55)26-10-8-14-47(26)25-12-11-22(48(57)58)16-27(25)49(59)60/h11-12,16,19-21,23-24,26,30H,6-10,13-15,17-18H2,1-5H3,(H2,37,52)(H,41,53)(H,42,54)(H,43,56)(H,44,50)(H,45,55)(H,46,51)(H4,38,39,40)",C36H57N13O11,,,,,,KGSKQRPJFBFFBW-SCTYRBDQSA-N,,,,,,,,,,,
100.058.501,264-370-7,63617-61-8,4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile,4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile,CCCCc1ccc(cc1)c2cnc(nc2)c3ccc(cc3)C#N,CCCCc1ccc(cc1)c2cnc(nc2)c3ccc(cc3)C#N,"InChI=1/C21H19N3/c1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19/h5-12,14-15H,2-4H2,1H3",C21H19N3,,,,,,GQJHPVOLXNKXKB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.518,264-389-0,63661-65-4,Sodium 2-methoxy-4-(1-propenyl)phenolate,sodium 2-methoxy-4-prop-1-en-1-ylphenolate,[Na+].[O-]c1ccc(cc1OC)C=CC,[Na+].[O-]c1ccc(cc1OC)C=CC,"InChI=1/C10H12O2.Na/c1-3-4-8-5-6-9(11)10(7-8)12-2;/h3-7,11H,1-2H3;/q;+1/p-1",C10H12O2.Na,,,,,,SKPCFEKMDDAMPN-UHFFFAOYSA-M,,,,,,,,,,,
100.058.525,264-396-9,63665-90-7,"3,4-dihydro-2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl hexadecanoate","2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl palmitate",CCCCCCCCCCCCCCCC(=O)Oc1cc2CC(CCCC(C)CCCC(C)CCCC(C)C)C(C)Oc2c(C)c1C,CCCCCCCCCCCCCCCC(=O)Oc1cc2CC(CCCC(C)CCCC(C)CCCC(C)C)C(C)Oc2c(C)c1C,"InChI=1/C44H78O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-31-43(45)47-42-33-41-32-40(39(8)46-44(41)38(7)37(42)6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h33-36,39-40H,9-32H2,1-8H3",C44H78O3,,,,,,MDEANXMHFKNOLF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.526,264-397-4,63665-91-8,"2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium toluene-p-sulphonate","2-{2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]vinyl}-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridin-1-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].C[N+]2=C(\\C=C\\c3c(c4ccccc4)n(CCC#N)c5ccccc35)C(C)(C)c6cccnc26,Cc1ccc(cc1)S(=O)(=O)[O-].C[N+]2=C(\C=C\c3c(c4ccccc4)n(CCC#N)c5ccccc35)C(C)(C)c6cccnc26,"InChI=1/C29H27N4.C7H8O3S/c1-29(2)24-14-9-19-31-28(24)32(3)26(29)17-16-23-22-13-7-8-15-25(22)33(20-10-18-30)27(23)21-11-5-4-6-12-21;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11-17,19H,10,20H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C29H27N4.C7H7O3S,,,,,,PBBNOYLMQQNWNI-UHFFFAOYSA-M,,,,,,,,,,,
100.058.532,264-405-6,63671-76-1,5'-(octadecyloxy)-m-terphenyl-2'-ol,"5'-(octadecyloxy)-1,1':3',1''-terphenyl-2'-ol",CCCCCCCCCCCCCCCCCCOc1cc(c(O)c(c1)c2ccccc2)c3ccccc3,CCCCCCCCCCCCCCCCCCOc1cc(c(O)c(c1)c2ccccc2)c3ccccc3,"InChI=1/C36H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-38-33-29-34(31-24-19-17-20-25-31)36(37)35(30-33)32-26-21-18-22-27-32/h17-22,24-27,29-30,37H,2-16,23,28H2,1H3",C36H50O2,,,,,,JJHKARPEMHIIQC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.537,264-410-3,63681-55-0,Dibutylnaphthalene-1-sulphonic acid,"2,3-dibutylnaphthalene-1-sulfonic acid",CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)O,CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)O,"InChI=1/C18H24O3S/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21)",C18H24O3S,,,,,,QZEDXQFZACVDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.829,251-528-5,33454-82-9,Lithium trifluoromethanesulphonate,lithium trifluoromethanesulfonate,[Li+].[O-]S(=O)(=O)C(F)(F)F,[Li+].[O-]S(=O)(=O)C(F)(F)F,"InChI=1/CHF3O3S.Li/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1",CHF3O3S.Li,,,,,,MCVFFRWZNYZUIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.833,251-532-7,33467-73-1,(Z)-hex-3-enyl formate,hex-3-en-1-yl formate,CC\\C=C/CCOC=O,CC\C=C/CCOC=O,"InChI=1/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3",C7H12O2,,,,,,XJHQVZQZUGLZLS-ARJAWSKDSA-N,,,,,,,,,,,
100.059.433,265-396-1,65087-12-9,o-[[[[2-[[(2-hydroxyphenyl)methylene]amino]cyclopentyl]methyl]imino]methyl]phenol,2-{[({2-[(2-hydroxybenzylidene)amino]cyclopentyl}methyl)imino]methyl}phenol,Oc3ccccc3C=NCC2CCCC2N=Cc1ccccc1O,Oc3ccccc3C=NCC2CCCC2N=Cc1ccccc1O,"InChI=1/C20H22N2O2/c23-19-10-3-1-6-16(19)13-21-12-15-8-5-9-18(15)22-14-17-7-2-4-11-20(17)24/h1-4,6-7,10-11,13-15,18,23-24H,5,8-9,12H2",C20H22N2O2,,,,,,SQWPYVWIMWPZGC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.441,265-404-3,65087-21-0,Oxydiethylene [4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]-carbamate,"oxydiethane-1,1,2-triyl tetrakis({4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl}carbamate)",O=C=NC1CCC(CC2CCC(CC2)NC(=O)OCC(OC(COC(=O)NC3CCC(CC4CCC(CC4)N=C=O)CC3)OC(=O)NC5CCC(CC6CCC(CC6)N=C=O)CC5)OC(=O)NC7CCC(CC8CCC(CC8)N=C=O)CC7)CC1,O=C=NC1CCC(CC2CCC(CC2)NC(=O)OCC(OC(COC(=O)NC3CCC(CC4CCC(CC4)N=C=O)CC3)OC(=O)NC5CCC(CC6CCC(CC6)N=C=O)CC5)OC(=O)NC7CCC(CC8CCC(CC8)N=C=O)CC7)CC1,"InChI=1/C64H98N8O13/c73-39-65-51-17-1-43(2-18-51)33-47-9-25-55(26-10-47)69-61(77)81-37-59(84-63(79)71-57-29-13-49(14-30-57)35-45-5-21-53(22-6-45)67-41-75)83-60(85-64(80)72-58-31-15-50(16-32-58)36-46-7-23-54(24-8-46)68-42-76)38-82-62(78)70-56-27-11-48(12-28-56)34-44-3-19-52(20-4-44)66-40-74/h43-60H,1-38H2,(H,69,77)(H,70,78)(H,71,79)(H,72,80)",C34H54N4O7,,,,,,ZYEUDFRKUJCVKU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.455,265-420-0,65104-38-3,"Dodecyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","dodecyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C12H27O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;6-3-1-5-2-4-7/h2-12H2,1H3,(H2,13,14,15);5-7H,1-4H2",C12H27O4P.C4H11NO2,,,,,,PHBJOLYKDWDQKF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.227,267-371-0,67846-57-5,"Glycine, N-[3-amino-4-[[7-[[4-[[4-[[7-[[2-amino-4-[(carboxymethyl)amino]phenyl]azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-2-sulfophenyl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]phenyl]-, trisodium salt",trisodium [(3-amino-4-{[7-({4-[(4-{[7-({2-amino-4-[(carboxylatomethyl)amino]phenyl}diazenyl)-1-hydroxy-3-sulfo-2-naphthyl]diazenyl}-3-sulfophenyl)amino]phenyl}diazenyl)-8-hydroxy-6-sulfonato-2-naphthyl]diazenyl}phenyl)amino]acetate,[Na+].[Na+].[Na+].[O-]C(=O)CNc8ccc(N=Nc6ccc7cc(c(N=Nc1ccc(cc1S(O)(=O)=O)Nc2ccc(cc2)N=Nc4c(cc3ccc(cc3c4O)N=Nc5ccc(NCC([O-])=O)cc5N)S([O-])(=O)=O)c(O)c7c6)S(O)(=O)=O)c(N)c8,[Na+].[Na+].[Na+].[O-]C(=O)CNc8ccc(N=Nc6ccc7cc(c(N=Nc1ccc(cc1S(O)(=O)=O)Nc2ccc(cc2)N=Nc4c(cc3ccc(cc3c4O)N=Nc5ccc(NCC([O-])=O)cc5N)S([O-])(=O)=O)c(O)c7c6)S(O)(=O)=O)c(N)c8,"InChI=1/C48H39N13O15S3.3Na/c49-35-19-28(51-22-43(62)63)9-12-37(35)57-55-31-3-1-24-15-41(78(71,72)73)45(47(66)33(24)17-31)60-54-27-7-5-26(6-8-27)53-30-11-14-39(40(21-30)77(68,69)70)59-61-46-42(79(74,75)76)16-25-2-4-32(18-34(25)48(46)67)56-58-38-13-10-29(20-36(38)50)52-23-44(64)65;;;/h1-21,51-53,66-67H,22-23,49-50H2,(H,62,63)(H,64,65)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;/q;3*+1/p-3",C48H39N13O15S3.3Na,,,,,,CQTAQKVHXKHTGX-UHFFFAOYSA-K,,,,,,,,,,,
100.061.237,267-382-0,67846-68-8,Dimethylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium chloride,"N,N-dimethyl-2-(stearoyloxy)-N-[2-(stearoyloxy)ethyl]ethanaminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H84NO4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1",C42H84NO4.Cl,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17779,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.237,NUCJYHHDSCEKQN-UHFFFAOYSA-M,,,,,,,,,,,
100.061.241,267-386-2,67851-69-8,Sodium 2-hydroxyindan-5-sulphonate,sodium 2-hydroxyindane-5-sulfonate,[Na+].OC1Cc2ccc(cc2C1)S(=O)(=O)[O-],[Na+].OC1Cc2ccc(cc2C1)S(=O)(=O)[O-],"InChI=1/C9H10O4S.Na/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8;/h1-2,5,8,10H,3-4H2,(H,11,12,13);/q;+1/p-1",C9H10O4S.Na,,,,,,YONDSUKOHFMYRL-UHFFFAOYSA-M,,,,,,,,,,,
100.061.243,267-388-3,67859-39-6,Sodium 1-(2-methylpropyl) 10-(sulphooxy)octadecanoate,-,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O,"InChI=1/C22H44O6S.Na/c1-4-5-6-7-10-13-16-21(28-29(24,25)26)17-14-11-8-9-12-15-18-22(23)27-19-20(2)3;/h20-21H,4-19H2,1-3H3,(H,24,25,26);/q;+1",C22H44O6S.Na,,,,,,GJLBBZPTFQUFMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.125,261-757-2,59430-61-4,"2-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]propionic acid","2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid",CC(C(=O)O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O,CC(C(=O)O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O,"InChI=1/C17H13NO4/c1-10(17(21)22)11-6-8-12(9-7-11)18-15(19)13-4-2-3-5-14(13)16(18)20/h2-10H,1H3,(H,21,22)",C17H13NO4,,,,,,ACRMAHMDLNNSNK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.135,261-768-2,59453-00-8,"2-bromo-3,3-dimethoxypropionaldehyde","2-bromo-3,3-dimethoxypropanal",COC(OC)C(Br)C=O,COC(OC)C(Br)C=O,"InChI=1/C5H9BrO3/c1-8-5(9-2)4(6)3-7/h3-5H,1-2H3",C5H9BrO3,,,,,,NSKAHUQUMMQTTA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.136,261-769-8,59454-19-2,"Sodium 9-methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulphonate","sodium 2-(9-methoxy-1,3-dioxo-1H-benzo[3,4]isochromeno[7,8,1-def]isoquinolin-2(3H)-yl)ethanesulfonate",[Na+].COc1ccc2Oc3ccc4C(=O)N(CCS(=O)(=O)[O-])C(=O)c5ccc(c2c1)c3c45,[Na+].COc1ccc2Oc3ccc4C(=O)N(CCS(=O)(=O)[O-])C(=O)c5ccc(c2c1)c3c45,"InChI=1/C21H15NO7S.Na/c1-28-11-2-6-16-15(10-11)12-3-4-13-18-14(5-7-17(29-16)19(12)18)21(24)22(20(13)23)8-9-30(25,26)27;/h2-7,10H,8-9H2,1H3,(H,25,26,27);/q;+1/p-1",C21H15NO7S.Na,,,,,,OUOSNHUBRUYKMF-UHFFFAOYSA-M,,,,,,,,,,,
100.056.382,262-040-7,60057-00-3,"4-(2-bromo-5-cyclohexyl-3-hydroxy-1-penten-1-yl)hexahydro-2H-cyclopenta[b]furan-2,5-diol","4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2,5-diol",OC2CC3C(C=C(Br)C(O)CCC1CCCCC1)C(O)CC3O2,OC2CC3C(C=C(Br)C(O)CCC1CCCCC1)C(O)CC3O2,"InChI=1/C18H29BrO4/c19-14(15(20)7-6-11-4-2-1-3-5-11)8-12-13-9-18(22)23-17(13)10-16(12)21/h8,11-13,15-18,20-22H,1-7,9-10H2",C18H29BrO4,,,,,,VUGKYGPJUXNQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.386,262-044-9,60067-58-5,Sodium hydrogen 3-[[2-[(3-sulphonatopropyl)amino]phenyl]dithio]propane-1-sulphonate,sodium hydrogen 3-({2-[(3-sulfonatopropyl)amino]phenyl}disulfanyl)propane-1-sulfonate,[Na+].[O-]S(=O)(=O)CCCNc1ccccc1SSCCCS(=O)(=O)[O-],[Na+].[O-]S(=O)(=O)CCCNc1ccccc1SSCCCS(=O)(=O)[O-],"InChI=1/C12H19NO6S4.Na/c14-22(15,16)9-3-7-13-11-5-1-2-6-12(11)21-20-8-4-10-23(17,18)19;/h1-2,5-6,13H,3-4,7-10H2,(H,14,15,16)(H,17,18,19);/q;+1/p-2",C12H19NO6S4.Na,,,,,,WSKWTLPWVPRMSM-UHFFFAOYSA-L,,,,,,,,,,,
100.056.393,262-052-2,60100-39-2,"Bis(3,5,5-trimethylhexyl) maleate","bis(3,5,5-trimethylhexyl) but-2-enedioate",CC(CCOC(=O)\\C=C/C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOC(=O)\C=C/C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C22H40O4/c1-17(15-21(3,4)5)11-13-25-19(23)9-10-20(24)26-14-12-18(2)16-22(6,7)8/h9-10,17-18H,11-16H2,1-8H3",C22H40O4,,,,,,ZVGNLPOWWIWPER-KTKRTIGZSA-N,,,,,,,,,,,
100.056.394,262-053-8,60103-17-5,"11-a,17-a,21-trihydroxypregn-4-ene-3,20-dione","11,17,21-trihydroxypregn-4-ene-3,20-dione",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@H]23,"InChI=1/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3",C21H30O5,,,,,,JYGXADMDTFJGBT-MKIDGPAKSA-N,,,,,,,,,,,
100.056.402,262-062-7,60113-43-1,"2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde","2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde",CC1C(CC2CC1C2(C)C)C=O,CC1C(CC2CC1C2(C)C)C=O,"InChI=1/C11H18O/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h6-10H,4-5H2,1-3H3",C11H18O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10772,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.402,VUNCLQCPKWLBRY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.406,262-066-9,60120-71-0,"7-hydroxy-2',3',5',6'-tetramethylspiro[acridine-9(2H),1'-[2,5]cyclohexadiene]-2,4'-dione","7-hydroxy-2',3',5',6'-tetramethyl-2H,4'H-spiro[acridine-9,1'-cyclohexa[2,5]diene]-2,4'-dione",CC1=C(C)C2(C(=C(C)C1=O)C)C3=CC(=O)C=CC3=Nc4ccc(O)cc24,CC1=C(C)C2(C(=C(C)C1=O)C)C3=CC(=O)C=CC3=Nc4ccc(O)cc24,"InChI=1/C22H19NO3/c1-11-13(3)22(14(4)12(2)21(11)26)17-9-15(24)5-7-19(17)23-20-8-6-16(25)10-18(20)22/h5-10,24H,1-4H3",C22H18NO3,,,,,,OOBOPFKBJZPFHL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.765,263-561-2,62476-60-2,"N-(2,4-dimethyl-5-nitrophenyl)acetamide","N-(2,4-dimethyl-5-nitrophenyl)acetamide",CC(=O)Nc1cc(c(C)cc1C)[N+](=O)[O-],CC(=O)Nc1cc(c(C)cc1C)[N+](=O)[O-],"InChI=1/C10H12N2O3/c1-6-4-7(2)10(12(14)15)5-9(6)11-8(3)13/h4-5H,1-3H3,(H,11,13)",C10H12N2O3,,,,,,LVADKDJSNQETBO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.770,263-567-5,62477-04-7,"Tetraoctadecyl N,N'-(iminodiethylene)di(L-aspartate)","trioctadecyl 12-oxo-13-oxa-3,6,9-triazahentriacontane-1,2,10-tricarboxylate (non-preferred name)",CCCCCCCCCCCCCCCCCCOC(=O)C[C@H](NCCNCCN[C@@H](CC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)C[C@H](NCCNCCN[C@@H](CC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C84H165N3O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73-92-81(88)77-79(83(90)94-75-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)86-71-69-85-70-72-87-80(84(91)95-76-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)78-82(89)93-74-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h79-80,85-87H,5-78H2,1-4H3",C84H165N3O8,,,,,,BLGWXFIUYYZNAI-LKVPSEKJSA-N,,,,,,,,,,,
100.057.778,263-575-9,62501-39-7,"3,6-dihydro-5-phenyl-2H-1,3,4-oxadiazin-2-one","5-phenyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one",O=C1NN=C(CO1)c2ccccc2,O=C1NN=C(CO1)c2ccccc2,"InChI=1/C9H8N2O2/c12-9-11-10-8(6-13-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)",C9H8N2O2,,,,,,RUWHMZIBEYGMPG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.796,263-595-8,62557-53-3,"1-benzoxepin-3,5(2H,4H)-dione","1-benzoxepine-3,5(2H,4H)-dione",O=C1COc2ccccc2C(=O)C1,O=C1COc2ccccc2C(=O)C1,"InChI=1/C10H8O3/c11-7-5-9(12)8-3-1-2-4-10(8)13-6-7/h1-4H,5-6H2",C10H8O3,,,,,,VXHBBPNYWKGNHL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.799,263-598-4,62567-42-4,6-(2-hydroxyphenyl)pyridazin-3(2H)-one,6-(2-hydroxyphenyl)pyridazin-3(2H)-one,Oc1ccccc1C2=NNC(=O)C=C2,Oc1ccccc1C2=NNC(=O)C=C2,"InChI=1/C10H8N2O2/c13-9-4-2-1-3-7(9)8-5-6-10(14)12-11-8/h1-6,13H,(H,12,14)",C10H8N2O2,,,,,,ITUVPRZRSCWUPA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.695,265-684-7,65294-14-6,"Tridecyl dihydrogen phosphate, compound with N,N-dimethylcyclohexylamine (1:2)","tridecyl dihydrogen phosphate - N,N-dimethylcyclohexanamine (1:2)",CCCCCCCCCCCCCOP(=O)(O)O.CN(C)C1CCCCC1.CN(C)C2CCCCC2,CCCCCCCCCCCCCOP(=O)(O)O.CN(C)C1CCCCC1.CN(C)C2CCCCC2,"InChI=1/C13H29O4P.2C8H17N/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;2*1-9(2)8-6-4-3-5-7-8/h2-13H2,1H3,(H2,14,15,16);2*8H,3-7H2,1-2H3",C13H29O4P.2C8H17N,,,,,,SZBANGWZYNGULC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.696,265-685-2,65294-15-7,Cyclohexyl(dimethyl)ammonium ditridecyl phosphate,"N,N-dimethylcyclohexanaminium ditridecyl phosphate",CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC.C[NH+](C)C1CCCCC1,CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC.C[NH+](C)C1CCCCC1,"InChI=1/C26H55O4P.C8H17N/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-9(2)8-6-4-3-5-7-8/h3-26H2,1-2H3,(H,27,28);8H,3-7H2,1-2H3",C26H55O4P.C8H17N,,,,,,POVOPAWXFOXVAF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.001,263-821-5,63059-49-4,"2-[2,4-bis(tert-pentyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butyramide dihydrochloride","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-(5-oxo-3-pyrrolidin-1-yl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]butanamide dihydrochloride",Cl.Cl.CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(cc2)N3N=C(CC3=O)N4CCCC4,Cl.Cl.CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(cc2)N3N=C(CC3=O)N4CCCC4,"InChI=1/C33H46N4O3.2ClH/c1-8-27(40-28-18-13-23(32(4,5)9-2)21-26(28)33(6,7)10-3)31(39)34-24-14-16-25(17-15-24)37-30(38)22-29(35-37)36-19-11-12-20-36;;/h13-18,21,27H,8-12,19-20,22H2,1-7H3,(H,34,39);2*1H",C33H46N4O3.2ClH,,,,,,FCWFPYYRGLTGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.002,263-822-0,63059-50-7,"2-[2,4-bis(tert-pentyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(pyrrolidin-1-yl)-1H-pyrazol-1-yl]phenyl]-4-[(1-phenyl-1H-tetrazol-5-yl)thio]butyramide monohydrochloride","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-(5-oxo-3-pyrrolidin-1-yl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]butanamide hydrochloride",Cl.CCC(C)(C)c1ccc(OC(CCSc2nnnn2c3ccccc3)C(=O)Nc4ccc(cc4)N5N=C(CC5=O)N6CCCC6)c(c1)C(C)(C)CC,Cl.CCC(C)(C)c1ccc(OC(CCSc2nnnn2c3ccccc3)C(=O)Nc4ccc(cc4)N5N=C(CC5=O)N6CCCC6)c(c1)C(C)(C)CC,"InChI=1/C40H50N8O3S.ClH/c1-7-39(3,4)28-16-21-33(32(26-28)40(5,6)8-2)51-34(22-25-52-38-42-44-45-48(38)30-14-10-9-11-15-30)37(50)41-29-17-19-31(20-18-29)47-36(49)27-35(43-47)46-23-12-13-24-46;/h9-11,14-21,26,34H,7-8,12-13,22-25,27H2,1-6H3,(H,41,50);1H",C40H50N8O3S.ClH,,,,,,AGYJCXYRDIKISX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.009,263-829-9,63059-61-0,"6-(dimethylamino)-1,2-dimethylquinolinium methyl sulphate","6-(dimethylamino)-1,2-dimethylquinolinium methyl sulfate",COS(=O)(=O)[O-].CN(C)c1ccc2c(ccc(C)[n+]2C)c1,COS(=O)(=O)[O-].CN(C)c1ccc2c(ccc(C)[n+]2C)c1,"InChI=1/C13H17N2.CH4O4S/c1-10-5-6-11-9-12(14(2)3)7-8-13(11)15(10)4;1-5-6(2,3)4/h5-9H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C13H17N2.CH3O4S,,,,,,VWOIZBFIQPWIJV-UHFFFAOYSA-M,,,,,,,,,,,
100.058.010,263-830-4,63059-64-3,"2,3-dimethyl-5-phenylbenzoxazolium p-toluenesulphonate","2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].Cc2oc3ccc(cc3[n+]2C)c4ccccc4,Cc1ccc(cc1)S(=O)(=O)[O-].Cc2oc3ccc(cc3[n+]2C)c4ccccc4,"InChI=1/C15H14NO.C7H8O3S/c1-11-16(2)14-10-13(8-9-15(14)17-11)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C15H14NO.C7H7O3S,,,,,,LFYUSOSBWWUDIH-UHFFFAOYSA-M,,,,,,,,,,,
100.058.020,263-841-4,63075-84-3,Diammonium azelate,diammonium azelaate,[NH4+].[NH4+].[O-]C(=O)CCCCCCCC(=O)[O-],[NH4+].[NH4+].[O-]C(=O)CCCCCCCC(=O)[O-],"InChI=1/C9H16O4.2H3N/c10-8(11)6-4-2-1-3-5-7-9(12)13;;/h1-7H2,(H,10,11)(H,12,13);2*1H3",C9H16O4.2H3N,,,,,,ORKKMKUDEPWHTG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.021,263-843-5,63076-44-8,"tert-butyl [R-(R*,S*)]-[1-[[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl]-2-hydroxypropyl]carbamate","2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)threoninate",CC(O)C(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,CC(O)C(NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O,"InChI=1/C13H20N2O7/c1-7(16)10(14-12(20)21-13(2,3)4)11(19)22-15-8(17)5-6-9(15)18/h7,10,16H,5-6H2,1-4H3,(H,14,20)",C13H20N2O7,,,,,,AHKOXQQXRXTKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.923,265-935-0,65817-50-7,"(Z)-N-(2-aminoethyl)-N'-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine","N-(2-aminoethyl)-N'-[2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCC\\C=C/CCCCCCCC1=NCCN1CCNCCNCCN,CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCNCCNCCN,"InChI=1/C26H53N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-30-23-25-31(26)24-22-29-21-20-28-19-18-27/h9-10,28-29H,2-8,11-25,27H2,1H3",C26H53N5,,,,,,NINKGRYZTNGWOE-KTKRTIGZSA-N,,,,,,,,,,,
100.059.925,265-937-1,65826-70-2,"2,3-dihydro-2,5,6-trimethylpyrazine","2,5,6-trimethyl-2,3-dihydropyrazine",CC1CN=C(C)C(=N1)C,CC1CN=C(C)C(=N1)C,"InChI=1/C7H12N2/c1-5-4-8-6(2)7(3)9-5/h5H,4H2,1-3H3",C7H12N2,,,,,,YVYGFQPWNRTJNS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.926,265-938-7,65833-67-2,"2,3,7-trimethylquinoxalin-6-ol","2,3,7-trimethylquinoxalin-6-ol",Cc1cc2nc(C)c(C)nc2cc1O,Cc1cc2nc(C)c(C)nc2cc1O,"InChI=1/C11H12N2O/c1-6-4-9-10(5-11(6)14)13-8(3)7(2)12-9/h4-5,14H,1-3H3",C11H12N2O,,,,,,ZSAFSOKZRQIORD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.933,265-946-0,65849-81-2,3-(3-hydroxybutoxy)butan-1-ol,3-(3-hydroxybutoxy)butan-1-ol,CC(O)CCOC(C)CCO,CC(O)CCOC(C)CCO,"InChI=1/C8H18O3/c1-7(10)4-6-11-8(2)3-5-9/h7-10H,3-6H2,1-2H3",C8H18O3,,,,,,HNXKBOZFEUCZHF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.934,265-947-6,65850-52-4,"2,2'-[p-phenylenebis(methylene)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2'-dioxide","2,2'-[1,4-phenylenebis(methylene)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide",CC1(C)COP(=O)(Cc2ccc(CP3(=O)OCC(C)(C)CO3)cc2)OC1,CC1(C)COP(=O)(Cc2ccc(CP3(=O)OCC(C)(C)CO3)cc2)OC1,"InChI=1/C18H28O6P2/c1-17(2)11-21-25(19,22-12-17)9-15-5-7-16(8-6-15)10-26(20)23-13-18(3,4)14-24-26/h5-8H,9-14H2,1-4H3",C18H28O6P2,,,,,,HEJAJPLMZFPDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.940,265-953-9,65860-74-4,"4'-undecyl[1,1'-biphenyl]-4-carbonitrile",4'-undecylbiphenyl-4-carbonitrile,CCCCCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C24H31N/c1-2-3-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)24-18-14-22(20-25)15-19-24/h12-19H,2-11H2,1H3",C24H31N,,,,,,YIJBPYUXIFSTAP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.946,265-960-7,65879-44-9,"2,4-diamino-6-methylphenol hydrochloride","2,4-diamino-6-methylphenol hydrochloride",Cl.Cc1cc(N)cc(N)c1O,Cl.Cc1cc(N)cc(N)c1O,"InChI=1/C7H10N2O.ClH/c1-4-2-5(8)3-6(9)7(4)10;/h2-3,10H,8-9H2,1H3;1H",C7H10N2O.xClH,,,,,,KFKLSCXTXRXTCC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.834,251-533-2,33467-74-2,(Z)-hex-3-enyl propionate,hex-3-en-1-yl propionate,CC\\C=C/CCOC(=O)CC,CC\C=C/CCOC(=O)CC,"InChI=1/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,LGTLDEUQCOJGFP-WAYWQWQTSA-N,,,,,,,,,,,
100.046.838,251-537-4,33474-61-2,"trans-N-(2,3-diphenylaziridin-1-yl)phthalimide","2-(2,3-diphenylaziridin-1-yl)-1H-isoindole-1,3(2H)-dione",O=C1N(N2C(C2c3ccccc3)c4ccccc4)C(=O)c5ccccc15,O=C1N(N2C(C2c3ccccc3)c4ccccc4)C(=O)c5ccccc15,"InChI=1/C22H16N2O2/c25-21-17-13-7-8-14-18(17)22(26)24(21)23-19(15-9-3-1-4-10-15)20(23)16-11-5-2-6-12-16/h1-14,19-20H",C22H16N2O2,,,,,,AADFBKFELOITOB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.846,251-546-3,33508-55-3,"3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-o-tolyl]azo]naphthalene-1,5-disulphonic acid","3-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonic acid",Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4,Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4,"InChI=1/C20H14Cl2N6O6S2/c1-10-7-11(23-20-25-18(21)24-19(22)26-20)5-6-15(10)28-27-12-8-14-13(17(9-12)36(32,33)34)3-2-4-16(14)35(29,30)31/h2-9H,1H3,(H,29,30,31)(H,32,33,34)(H,23,24,25,26)",C20H14Cl2N6O6S2,,,,,,FFUPTYQEWMUQFD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.847,251-547-9,33508-79-1,"1-(2,3-dihydro-3-oxo-1H-indazol-6-yl)-3-(hexadec-2-enyl)pyrrolidine-2,5-dione","3-hexadec-2-en-1-yl-1-(3-oxo-2,3-dihydro-1H-indazol-6-yl)pyrrolidine-2,5-dione",O=C3CC(CC=CCCCCCCCCCCCCC)C(=O)N3c1ccc2c(c1)NNC2=O,O=C3CC(CC=CCCCCCCCCCCCCC)C(=O)N3c1ccc2c(c1)NNC2=O,"InChI=1/C27H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-25(31)30(27(21)33)22-17-18-23-24(20-22)28-29-26(23)32/h14-15,17-18,20-21H,2-13,16,19H2,1H3,(H2,28,29,32)",C27H39N3O3,,,,,,FKJVYUCQCYYZHK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.851,251-552-6,33514-22-6,Dimethyl (R)-2-methylglutarate,dimethyl 2-methylpentanedioate,COC(=O)CC[C@@H](C)C(=O)OC,COC(=O)CC[C@@H](C)C(=O)OC,"InChI=1/C8H14O4/c1-6(8(10)12-3)4-5-7(9)11-2/h6H,4-5H2,1-3H3",C8H14O4,,,,,,ZWKKRUNHAVNSFW-ZCFIWIBFSA-N,,,,,,,,,,,
100.046.853,251-554-7,33515-36-5,N-benzoyl-3-hydroxy-D-tyrosine,N-benzoyl-3-hydroxytyrosine,OC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c2ccccc2,OC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c2ccccc2,"InChI=1/C16H15NO5/c18-13-7-6-10(9-14(13)19)8-12(16(21)22)17-15(20)11-4-2-1-3-5-11/h1-7,9,12,18-19H,8H2,(H,17,20)(H,21,22)",C16H15NO5,,,,,,WGTPJOPXQRPTDE-GFCCVEGCSA-N,,,,,,,,,,,
100.046.857,251-558-9,33520-38-6,"Chloro[[2,2',2''-nitrilotris[ethanolato]]-N,O,O',O'']zinc",zinc chloride 2-[bis(2-hydroxyethyl)amino]ethanolate,OCCN(CCO)CCO[Zn]Cl,OCCN(CCO)CCO[Zn]Cl,"InChI=1/C6H14NO3.ClH.Zn/c8-4-1-7(2-5-9)3-6-10;;/h8-9H,1-6H2;1H;/q-1;;+2/p-1/rC6H14ClNO3Zn/c7-12-11-6-3-8(1-4-9)2-5-10/h9-10H,1-6H2",C6H14ClNO3Zn,,,,,,RZVNQIFLEMIAFP-UHFFFAOYSA-M,,,,,,,,,,,
100.046.869,251-572-5,33562-89-9,Sodium dihydrogen 4-sulphonatophthalate,sodium dihydrogen 4-sulfonatophthalate,[Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-],[Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C8H6O7S.Na/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-3",C8H6O7S.Na,,,,,,SKFJOGJJIJEGMQ-UHFFFAOYSA-K,,,,,,,,,,,
100.046.872,251-575-1,33564-31-7,Diflorasone di(acetate),"6,9-difluoro-21-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-11,17-diyl diacetate",C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](C[C@]2(C)[C@@]1(OC(=O)C)C(=O)CO)OC(=O)C,C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](C[C@]2(C)[C@@]1(OC(=O)C)C(=O)CO)OC(=O)C,"InChI=1/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(32)6-7-23(19,4)25(18,28)22(34-14(2)30)11-24(17,5)26(13,21(33)12-29)35-15(3)31/h6-7,9,13,17-18,20,22,29H,8,10-12H2,1-5H3",C26H32F2O7,,,,,,ZKQQXGDOFZSLEZ-OJAUEJGHSA-N,,,,,,,,,,,
100.059.967,265-983-2,65938-08-1,1-(cyclododec-1-en-1-yl)ethan-1-one,1-cyclododec-1-en-1-ylethanone,CC(=O)C1=CCCCCCCCCCC1,CC(=O)C1=CCCCCCCCCCC1,"InChI=1/C14H24O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h11H,2-10,12H2,1H3",C14H24O,,,,,,MLCBOXBUBJRZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.971,265-987-4,65975-15-7,Tripentacontafluoro-26-iodohexacosane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26-tripentacontafluoro-26-iodohexacosane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C26F53I/c27-1(28,3(31,32)5(35,36)7(39,40)9(43,44)11(47,48)13(51,52)15(55,56)17(59,60)19(63,64)21(67,68)23(71,72)25(75,76)77)2(29,30)4(33,34)6(37,38)8(41,42)10(45,46)12(49,50)14(53,54)16(57,58)18(61,62)20(65,66)22(69,70)24(73,74)26(78,79)80",C26F53I,,,,,,JKPQYAMTJKRMMG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.976,265-993-7,65985-66-2,"N-[N-[1-(2,4-dinitrophenyl)-L-prolyl]-L-leucyl]glycine","1-(2,4-dinitrophenyl)-L-prolyl-L-leucylglycine",CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)O,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)O,"InChI=1/C19H25N5O8/c1-11(2)8-13(18(27)20-10-17(25)26)21-19(28)15-4-3-7-22(15)14-6-5-12(23(29)30)9-16(14)24(31)32/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,20,27)(H,21,28)(H,25,26)",C19H25N5O8,,,,,,AKFPJMPDELFVBU-ZFWWWQNUSA-N,,,,,,,,,,,
100.057.520,263-292-0,61886-46-2,"Octadec-9-enyl hydrogen sulphate, compound with 2-(diethylamino)ethanol (1:1)",octadec-9-en-1-yl hydrogen sulfate - 2-(diethylamino)ethanol (1:1),CCN(CC)CCO.OS(=O)(=O)OCCCCCCCCC=CCCCCCCCC,CCN(CC)CCO.OS(=O)(=O)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C18H36O4S.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-7(4-2)5-6-8/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);8H,3-6H2,1-2H3",C18H36O4S.C6H15NO,,,,,,IHDPKWOISNDGOV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.523,263-295-7,61886-58-6,Bis(methylphenyl) disulphide,"1,1'-disulfanediylbis(2-methylbenzene)",Cc1ccccc1SSc2ccccc2C,Cc1ccccc1SSc2ccccc2C,"InChI=1/C14H14S2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h3-10H,1-2H3",C14H14S2,,,,,,ZSSCTTQONPHGRA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.543,263-317-5,61912-55-8,2-ethylhexyl [(trioctylstannyl)thio]acetate,2-ethylhexyl [(trioctylstannyl)sulfanyl]acetate,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCC(CC)CCCC,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/C10H20O2S.3C8H17.Sn/c1-3-5-6-9(4-2)7-12-10(11)8-13;3*1-3-5-7-8-6-4-2;/h9,13H,3-8H2,1-2H3;3*1,3-8H2,2H3;/q;;;;+1/p-1/rC34H70O2SSn/c1-6-11-15-18-21-24-28-38(29-25-22-19-16-12-7-2,30-26-23-20-17-13-8-3)37-32-34(35)36-31-33(10-5)27-14-9-4/h33H,6-32H2,1-5H3",C34H70O2SSn,,,,,,LFQRPJAWBWYVRT-UHFFFAOYSA-M,,,,,,,,,,,
100.057.544,263-318-0,61914-47-4,"(1R-trans)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride","3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride",CC1(C)C(C=C(Cl)Cl)[C@H]1C(=O)Cl,CC1(C)C(C=C(Cl)Cl)[C@H]1C(=O)Cl,"InChI=1/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3",C8H9Cl3O,,,,,,CHLAOFANYRDCPD-RZKHNPSRSA-N,,,,,,,,,,,
100.057.547,263-321-7,61919-18-4,2-methoxy-5-nitrobenzenediazonium tetrachlorozincate (2:1),bis(2-methoxy-5-nitrobenzenediazonium) tetrachlorozincate(2-),COc1ccc(cc1[N+]#N)[N+](=O)[O-].COc2ccc(cc2[N+]#N)[N+](=O)[O-].Cl[Zn-2](Cl)(Cl)Cl,COc1ccc(cc1[N+]#N)[N+](=O)[O-].COc2ccc(cc2[N+]#N)[N+](=O)[O-].Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C7H6N3O3.4ClH.Zn/c2*1-13-7-3-2-5(10(11)12)4-6(7)9-8;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C7H6N3O3.Cl4Zn/c2*1-13-7-3-2-5(10(11)12)4-6(7)9-8;1-5(2,3)4/h2*2-4H,1H3;/q2*+1;-2",C7H6N3O3.1/2Cl4Zn,,,,,,OGTMYEBOJYOLKH-UHFFFAOYSA-J,,,,,,,,,,,
100.057.551,263-325-9,61926-22-5,"5,5'-[ethylenebis(iminotrimethylene)]bis[3,8-diamino-6-phenylphenanthridinium] dichloride dihydrochloride","5,5'-[ethane-1,2-diylbis(iminopropane-3,1-diyl)]bis(3,8-diamino-6-phenylphenanthridinium) dichloride dihydrochloride",Cl.Cl.[Cl-].[Cl-].Nc1ccc2c3ccc(N)cc3[n+](CCCNCCNCCC[n+]4c(c5ccccc5)c6cc(N)ccc6c7ccc(N)cc47)c(c8ccccc8)c2c1,Cl.Cl.[Cl-].[Cl-].Nc1ccc2c3ccc(N)cc3[n+](CCCNCCNCCC[n+]4c(c5ccccc5)c6cc(N)ccc6c7ccc(N)cc47)c(c8ccccc8)c2c1,"InChI=1/C46H46N8.4ClH/c47-33-13-17-37-39-19-15-35(49)29-43(39)53(45(41(37)27-33)31-9-3-1-4-10-31)25-7-21-51-23-24-52-22-8-26-54-44-30-36(50)16-20-40(44)38-18-14-34(48)28-42(38)46(54)32-11-5-2-6-12-32;;;;/h1-6,9-20,27-30,49-52H,7-8,21-26,47-48H2;4*1H",C46H48N8.2ClH.2Cl,,,,,,ZKAJUKABUUJRLB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.553,263-328-5,61931-61-1,"Tetrabromopyranthrene-8,16-dione","1,2,3,4-tetrabromopyranthrene-8,16-dione",Brc1c(Br)c(Br)c2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc(C(=O)c2c1Br)c3c8c4c57,Brc1c(Br)c(Br)c2c3cc4ccc5C(=O)c6ccccc6c7cc8ccc(C(=O)c2c1Br)c3c8c4c57,InChI=1/C30H10Br4O2/c31-25-23-18-10-12-5-7-15-21-17(13-3-1-2-4-14(13)29(15)35)9-11-6-8-16(22(18)20(11)19(12)21)30(36)24(23)26(32)28(34)27(25)33/h1-10H,C30H10Br4O2,,,,,,PMXMXVJJWMRKLM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.554,263-329-0,61931-64-4,3-(acetylamino)-N-(7-hydroxy-1-naphthyl)benzamide,3-acetamido-N-(7-hydroxy-1-naphthyl)benzamide,CC(=O)Nc1cccc(c1)C(=O)Nc2cccc3ccc(O)cc23,CC(=O)Nc1cccc(c1)C(=O)Nc2cccc3ccc(O)cc23,"InChI=1/C19H16N2O3/c1-12(22)20-15-6-2-5-14(10-15)19(24)21-18-7-3-4-13-8-9-16(23)11-17(13)18/h2-11,23H,1H3,(H,20,22)(H,21,24)",C19H16N2O3,,,,,,QXWNWVHZMMVIQA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.072,263-899-0,63133-86-8,"Potassium 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulphonyl]amino]-9,10-dioxoanthracene-2-sulphonate","potassium 1-amino-4-{[(4-methylphenyl)sulfonyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[K+].Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[K+].Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C21H16N2O7S2.K/c1-11-6-8-12(9-7-11)31(26,27)23-15-10-16(32(28,29)30)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,28,29,30);/q;+1/p-1",C21H16N2O7S2.K,,,,,,MLRLNUOFKSIVCZ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.073,263-900-4,63133-89-1,"Diethyl ß,ß'-dihydroxybenzene-1,4-dipropionate","diethyl 3,3'-(1,4-phenylene)bis(3-hydroxypropanoate)",CCOC(=O)CC(O)c1ccc(cc1)C(O)CC(=O)OCC,CCOC(=O)CC(O)c1ccc(cc1)C(O)CC(=O)OCC,"InChI=1/C16H22O6/c1-3-21-15(19)9-13(17)11-5-7-12(8-6-11)14(18)10-16(20)22-4-2/h5-8,13-14,17-18H,3-4,9-10H2,1-2H3",C16H22O6,,,,,,YQKIPPOWPUMQJF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.079,263-907-2,63134-03-2,"6-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-3,4-dihydro-2,2,4,7-tetramethyl-2H-quinoline-1-ethanol","2-[6-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1(2H)-yl]ethanol",CS(=O)(=O)c3ccc(N=Nc1cc2c(cc1C)N(CCO)C(C)(C)CC2C)c(Cl)c3,CS(=O)(=O)c3ccc(N=Nc1cc2c(cc1C)N(CCO)C(C)(C)CC2C)c(Cl)c3,"InChI=1/C22H28ClN3O3S/c1-14-10-21-17(15(2)13-22(3,4)26(21)8-9-27)12-20(14)25-24-19-7-6-16(11-18(19)23)30(5,28)29/h6-7,10-12,15,27H,8-9,13H2,1-5H3",C22H28ClN3O3S,,,,,,HOOCPUZKGIXXDM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.713,265-703-9,65339-11-9,"N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]benzamide","N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-{[2-(3-pentadecylphenoxy)butanoyl]amino}benzamide",CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c1,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c1,"InChI=1/C41H51Cl3N4O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-29-20-17-23-33(24-29)52-36(4-2)41(51)45-32-22-18-21-30(25-32)40(50)46-37-28-38(49)48(47-37)39-34(43)26-31(42)27-35(39)44/h17-18,20-27,36H,3-16,19,28H2,1-2H3,(H,45,51)(H,46,47,50)",C41H51Cl3N4O4,,,,,,DLVYTBVBYGPNNB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.714,265-704-4,65343-67-1,Ethyl 2-(4-hydroxyphenoxy)propionate,ethyl 2-(4-hydroxyphenoxy)propanoate,CCOC(=O)C(C)Oc1ccc(O)cc1,CCOC(=O)C(C)Oc1ccc(O)cc1,"InChI=1/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3",C11H14O4,,,,,,ILYSHPJWNMPBPE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.724,265-715-4,65359-16-2,7-oxo-7H-benzo[e]perimidine-4-carboxylic acid,7-oxo-7H-benzo[e]perimidine-4-carboxylic acid,OC(=O)c1ccc2C(=O)c3ccccc3c4ncnc1c24,OC(=O)c1ccc2C(=O)c3ccccc3c4ncnc1c24,"InChI=1/C16H8N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h1-7H,(H,20,21)",C16H8N2O3,,,,,,YTOXATAGMSUJAF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.726,265-718-0,65369-76-8,1-(m-chlorophenyl)piperazine hydrochloride,1-(3-chlorophenyl)piperazine hydrochloride,Cl.Clc1cccc(c1)N2CCNCC2,Cl.Clc1cccc(c1)N2CCNCC2,"InChI=1/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H",C10H13ClN2.xClH,,,,,,MHXPYWFZULXYHT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.883,261-491-7,58909-56-1,"(6R-trans)-7-amino-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","7-amino-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CN1NC(=O)C(=O)N=C1SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O,CN1NC(=O)C(=O)N=C1SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O,"InChI=1/C12H13N5O5S2/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22)",C12H13N5O5S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12018,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.883,YTUNICCSPPTMJY-RRAGMBSWSA-N,,,,,,,,,,,
100.055.890,261-499-0,58921-10-1,2-hydroxypropyl 2-ethylhexanoate,2-hydroxypropyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCC(C)O,CCCCC(CC)C(=O)OCC(C)O,"InChI=1/C11H22O3/c1-4-6-7-10(5-2)11(13)14-8-9(3)12/h9-10,12H,4-8H2,1-3H3",C11H22O3,,,,,,RCYYLBZELJCFBT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.891,261-500-4,58927-81-4,(E)-hept-4-en-2-ol,hept-4-en-2-ol,CC\\C=C\\CC(C)O,CC\C=C\CC(C)O,"InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3",C7H14O,,,,,,KZUFTCBJDQXWOJ-SNAWJCMRSA-N,,,,,,,,,,,
100.055.893,261-503-0,58932-13-1,"4'-(nonyloxy)[1,1'-biphenyl]-4-carbonitrile",4'-(nonyloxy)biphenyl-4-carbonitrile,CCCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C22H27NO/c1-2-3-4-5-6-7-8-17-24-22-15-13-21(14-16-22)20-11-9-19(18-23)10-12-20/h9-16H,2-8,17H2,1H3",C22H27NO,,,,,,NJQLLUIPSJLJHY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.894,261-504-6,58934-46-6,N-(4-chlorophenyl)-N-(1-isopropyl-4-piperidyl)phenylacetamide monohydrochloride,N-(4-chlorophenyl)-N-(1-isopropylpiperidin-4-yl)-2-phenylacetamide hydrochloride,Cl.CC(C)N1CCC(CC1)N(C(=O)Cc2ccccc2)c3ccc(Cl)cc3,Cl.CC(C)N1CCC(CC1)N(C(=O)Cc2ccccc2)c3ccc(Cl)cc3,"InChI=1/C22H27ClN2O.ClH/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18;/h3-11,17,21H,12-16H2,1-2H3;1H",C22H27ClN2O.ClH,,,,,,FSFSWNBDCJVFGI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.903,261-514-0,58948-23-5,"3,3'-oxybis[8,9-dibromo-2,4-dioxa-3-phosphaspiro[5.5]undecane] 3,3'-disulphide","3,3'-oxybis(8,9-dibromo-2,4-dioxa-3-phosphaspiro[5.5]undecane) 3,3'-disulfide",BrC1CCC2(COP(=S)(OP3(=S)OCC4(CCC(Br)C(Br)C4)CO3)OC2)CC1Br,BrC1CCC2(COP(=S)(OP3(=S)OCC4(CCC(Br)C(Br)C4)CO3)OC2)CC1Br,"InChI=1/C16H24Br4O5P2S2/c17-11-1-3-15(5-13(11)19)7-21-26(28,22-8-15)25-27(29)23-9-16(10-24-27)4-2-12(18)14(20)6-16/h11-14H,1-10H2",C16H24Br4O5P2S2,,,,,,UESTXVRIKFUUHA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.905,261-516-1,58948-25-7,"2,2'-oxybis(4-isopropyl-5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-disulphide","2,2'-oxybis(4-isopropyl-5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-disulfide",CC(C)C1OP(=S)(OP2(=S)OCC(C)(C)C(O2)C(C)C)OCC1(C)C,CC(C)C1OP(=S)(OP2(=S)OCC(C)(C)C(O2)C(C)C)OCC1(C)C,"InChI=1/C16H32O5P2S2/c1-11(2)13-15(5,6)9-17-22(24,19-13)21-23(25)18-10-16(7,8)14(20-23)12(3)4/h11-14H,9-10H2,1-8H3",C16H32O5P2S2,,,,,,GMNOXZPPOAVBIB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.908,261-519-8,58953-08-5,"Sodium 3-(4,5-dichloro-o-tolyl)-1-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-4,5-dihydro-1H-pyrazole-4-methanesulphonate","sodium [3-(4,5-dichloro-2-methylphenyl)-1-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,5-dihydro-1H-pyrazol-4-yl]methanesulfonate",[Na+].Cc1cc(Cl)c(Cl)cc1C2=NN(CC2CS(=O)(=O)[O-])c3ccc4C(=O)OCc4c3,[Na+].Cc1cc(Cl)c(Cl)cc1C2=NN(CC2CS(=O)(=O)[O-])c3ccc4C(=O)OCc4c3,"InChI=1/C19H16Cl2N2O5S.Na/c1-10-4-16(20)17(21)6-15(10)18-12(9-29(25,26)27)7-23(22-18)13-2-3-14-11(5-13)8-28-19(14)24;/h2-6,12H,7-9H2,1H3,(H,25,26,27);/q;+1/p-1",C19H16Cl2N2O5S.Na,,,,,,WTELQDTYDULSAP-UHFFFAOYSA-M,,,,,,,,,,,
100.059.950,265-964-9,65884-79-9,"Diethyl [1,1-dimethyl-2-(4-methyl-2,5-dioxoimidazolidin-4-yl)ethyl]phosphonate","diethyl [1,1-dimethyl-2-(4-methyl-2,5-dioxoimidazolidin-4-yl)ethyl]phosphonate",CCOP(=O)(OCC)C(C)(C)CC1(C)NC(=O)NC1=O,CCOP(=O)(OCC)C(C)(C)CC1(C)NC(=O)NC1=O,"InChI=1/C12H23N2O5P/c1-6-18-20(17,19-7-2)11(3,4)8-12(5)9(15)13-10(16)14-12/h6-8H2,1-5H3,(H2,13,14,15,16)",C12H23N2O5P,,,,,,LCLFUDOECCRUTI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.952,265-967-5,65894-76-0,O-(ethoxycarbonyl)-N-(1-methyl-2-oxo-2-phenylethylidene)hydroxylamine,"1-phenylpropane-1,2-dione 2-[O-(ethoxycarbonyl)oxime]",O=C(C(C)=NOC(=O)OCC)c1ccccc1,O=C(C(C)=NOC(=O)OCC)c1ccccc1,"InChI=1/C12H13NO4/c1-3-16-12(15)17-13-9(2)11(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3",C12H13NO4,,,,,,YDMWUMUNUXUYKT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.955,265-970-1,65895-95-6,Diethylmethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"2-(acryloyloxy)-N,N-diethyl-N-methylethanaminium chloride",[Cl-].CC[N+](C)(CC)CCOC(=O)C=C,[Cl-].CC[N+](C)(CC)CCOC(=O)C=C,"InChI=1/C10H20NO2.ClH/c1-5-10(12)13-9-8-11(4,6-2)7-3;/h5H,1,6-9H2,2-4H3;1H/q+1;/p-1",C10H20NO2.Cl,,,,,,UWGDUZWWQJDYBU-UHFFFAOYSA-M,,,,,,,,,,,
100.059.957,265-972-2,65899-13-0,3-methylnonan-1-al,3-methylnonanal,CCCCCCC(C)CC=O,CCCCCCC(C)CC=O,"InChI=1/C10H20O/c1-3-4-5-6-7-10(2)8-9-11/h9-10H,3-8H2,1-2H3",C10H20O,,,,,,AINZHCCLJXQMHM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.958,265-973-8,65899-73-2,Tioconazole,"1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole",Clc1ccc(C(Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1,Clc1ccc(C(Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1,"InChI=1/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2",C16H13Cl3N2OS,,,,,,QXHHHPZILQDDPS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.963,265-979-0,65916-13-4,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxy-5-[(1-methylpentyl)amino]phenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxy-5-[(1-methylpentyl)amino]phenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(NC(C)CCCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(NC(C)CCCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H25BrN6O6/c1-5-6-7-12(2)23-18-10-16(24-13(3)29)17(11-20(18)34-4)25-26-21-15(22)8-14(27(30)31)9-19(21)28(32)33/h8-12,23H,5-7H2,1-4H3,(H,24,29)",C21H25BrN6O6,,,,,,XDLFAHVQHIYZDC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.191,267-331-2,67845-59-4,[2-(diethoxymethyl)-1-octenyl]benzene,[2-(diethoxymethyl)oct-1-en-1-yl]benzene,CCOC(OCC)C(=Cc1ccccc1)CCCCCC,CCOC(OCC)C(=Cc1ccccc1)CCCCCC,"InChI=1/C19H30O2/c1-4-7-8-12-15-18(19(20-5-2)21-6-3)16-17-13-10-9-11-14-17/h9-11,13-14,16,19H,4-8,12,15H2,1-3H3",C19H30O2,,,,,,QOUAYQKASAQPJF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.199,267-340-1,67845-91-4,"[4-[(3,5-dimethylhexyl)oxy]-2-hydroxyphenyl] phenyl ketone","{4-[(3,5-dimethylhexyl)oxy]-2-hydroxyphenyl}(phenyl)methanone",CC(C)CC(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,CC(C)CC(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C21H26O3/c1-15(2)13-16(3)11-12-24-18-9-10-19(20(22)14-18)21(23)17-7-5-4-6-8-17/h4-10,14-16,22H,11-13H2,1-3H3",C21H26O3,,,,,,OTOPALCRQKAODB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.201,267-342-2,67845-93-6,"Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate","hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate",CCCCCCCCCCCCCCCCOC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCCCCCCCCCCCCCCCOC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3",C31H54O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5453,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.201,NZYMWGXNIUZYRC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.206,267-348-5,67845-98-1,"[4-[(3,4-dimethylhexyl)oxy]-2-hydroxyphenyl] phenyl ketone","{4-[(3,4-dimethylhexyl)oxy]-2-hydroxyphenyl}(phenyl)methanone",CCC(C)C(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,CCC(C)C(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C21H26O3/c1-4-15(2)16(3)12-13-24-18-10-11-19(20(22)14-18)21(23)17-8-6-5-7-9-17/h5-11,14-16,22H,4,12-13H2,1-3H3",C21H26O3,,,,,,VJDDEOYUJPSXDO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.208,267-350-6,67846-01-9,"2,3,4,5-tetrachloro-6-[[(3-methoxypropyl)amino]carbonyl]benzoic acid","2,3,4,5-tetrachloro-6-[(3-methoxypropyl)carbamoyl]benzoic acid",COCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,COCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O,"InChI=1/C12H11Cl4NO4/c1-21-4-2-3-17-11(18)5-6(12(19)20)8(14)10(16)9(15)7(5)13/h2-4H2,1H3,(H,17,18)(H,19,20)",C12H11Cl4NO4,,,,,,ZFCWJUKNOSHVCS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.212,267-354-8,67846-08-6,"Diethyl hydrogen phosphate, compound with N-[2-[[2-[(carbamoyl)amino]ethyl]ethylamino]ethyl]octadecanamide (1:1)",diethyl hydrogen phosphate - N-(2-{[2-(carbamoylamino)ethyl](ethyl)amino}ethyl)octadecanamide (1:1),CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCNC(=O)N.CCOP(=O)(O)OCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCNC(=O)N.CCOP(=O)(O)OCC,"InChI=1/C25H52N4O2.C4H11O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(30)27-20-22-29(4-2)23-21-28-25(26)31;1-3-7-9(5,6)8-4-2/h3-23H2,1-2H3,(H,27,30)(H3,26,28,31);3-4H2,1-2H3,(H,5,6)",C25H52N4O2.C4H11O4P,,,,,,SKABYWYFSSMMFG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.674,262-361-2,60667-24-5,Methyl thiazolidine-4-carboxylate,"methyl 1,3-thiazolidine-4-carboxylate",COC(=O)C1CSCN1,COC(=O)C1CSCN1,"InChI=1/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3",C5H9NO2S,,,,,,NHBNAVLHRAPNKY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.678,262-365-4,60671-78-5,Tetradec-9-enal,tetradec-9-enal,CCCCC=CCCCCCCCC=O,CCCCC=CCCCCCCCC=O,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,14H,2-4,7-13H2,1H3",C14H26O,,,,,,ANJAOCICJSRZSR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.684,262-372-2,60676-80-4,"2,3-dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid","7-nitro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid",OC(=O)C1N=C(c2ccccc2)c3cc(ccc3NC1=O)[N+](=O)[O-],OC(=O)C1N=C(c2ccccc2)c3cc(ccc3NC1=O)[N+](=O)[O-],"InChI=1/C16H11N3O5/c20-15-14(16(21)22)18-13(9-4-2-1-3-5-9)11-8-10(19(23)24)6-7-12(11)17-15/h1-8,14H,(H,17,20)(H,21,22)",C16H11N3O5,,,,,,JPEUYYKTUFRADV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.696,262-385-3,60703-66-4,"1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-(2-nitrophenyl)piperidin-4-amine","1-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-N-(2-nitrophenyl)piperidin-4-amine",[O-][N+](=O)c1ccccc1NC2CCN(CCCC3(OCCO3)c4ccc(F)cc4)CC2,[O-][N+](=O)c1ccccc1NC2CCN(CCCC3(OCCO3)c4ccc(F)cc4)CC2,"InChI=1/C23H28FN3O4/c24-19-8-6-18(7-9-19)23(30-16-17-31-23)12-3-13-26-14-10-20(11-15-26)25-21-4-1-2-5-22(21)27(28)29/h1-2,4-9,20,25H,3,10-17H2",C23H28FN3O4,,,,,,SWWABTYZAPRWPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.544,264-418-7,63699-78-5,Ammonium (S)-5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoate,ammonium 5-(D-gamma-glutamylamino)-2-nitrobenzoate,[NH4+].N[C@@H](CCC(=O)Nc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(=O)O,[NH4+].N[C@@H](CCC(=O)Nc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C12H13N3O7.H3N/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);1H3",C12H13N3O7.H3N,,,,,,GFABNNMTRVBLPZ-QRPNPIFTSA-N,,,,,,,,,,,
100.058.556,264-431-8,63721-05-1,"Methyl 3,3-dimethylpent-4-enoate","methyl 3,3-dimethylpent-4-enoate",COC(=O)CC(C)(C)C=C,COC(=O)CC(C)(C)C=C,"InChI=1/C8H14O2/c1-5-8(2,3)6-7(9)10-4/h5H,1,6H2,2-4H3",C8H14O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10433,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.556,MKLKDUHMZCIBSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.558,264-433-9,63734-62-3,3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid,3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid,OC(=O)c1cccc(Oc2ccc(cc2Cl)C(F)(F)F)c1,OC(=O)c1cccc(Oc2ccc(cc2Cl)C(F)(F)F)c1,"InChI=1/C14H8ClF3O3/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)",C14H8ClF3O3,,,,,,ONKRUAQFUNKYAX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.563,264-439-1,63741-10-6,"N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-m-toluidine","N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylaniline",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(CC)CCCl)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(CC)CCCl)[N+]([O-])=O,"InChI=1/C17H17Cl3N4O2/c1-3-23(7-6-18)12-4-5-16(11(2)8-12)21-22-17-14(19)9-13(24(25)26)10-15(17)20/h4-5,8-10H,3,6-7H2,1-2H3",C17H17Cl3N4O2,,,,,,UGDJBKWHSWJSMB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.571,264-448-0,63759-55-7,3-methyleneoctan-2-one,3-methyleneoctan-2-one,CCCCCC(=C)C(=O)C,CCCCCC(=C)C(=O)C,"InChI=1/C9H16O/c1-4-5-6-7-8(2)9(3)10/h2,4-7H2,1,3H3",C9H16O,,,,,,VBZQKPYXKJXTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.581,264-459-0,63785-12-6,Ammonium hydrogen dipropionate,ammonium hydrogen dipropanoate,[NH4+].CCC(=O)[O-].CCC(=O)[O-],[NH4+].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.H3N/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);1H3/p-1",C3H6O2.1/2H3N,,,,,,BAIBRYAATTUQMG-UHFFFAOYSA-M,,,,,,,,,,,
100.058.584,264-462-7,63789-05-9,"1-butyl-3,5-diethyl-1,2-dihydro-2-propylpyridine","1-butyl-3,5-diethyl-2-propyl-1,2-dihydropyridine",CCCCN1C=C(CC)C=C(CC)C1CCC,CCCCN1C=C(CC)C=C(CC)C1CCC,"InChI=1/C16H29N/c1-5-9-11-17-13-14(7-3)12-15(8-4)16(17)10-6-2/h12-13,16H,5-11H2,1-4H3",C16H29N,,,,,,UXTIXCUXLURDHW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.585,264-463-2,63791-44-6,"5-oxo-L-proline, compound with 2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one (1:1)","5-oxo-L-proline - 2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one (1:1)",CN1CC(=O)N=C1N.OC(=O)[C@@H]2CCC(=O)N2,CN1CC(=O)N=C1N.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C5H7NO3.C4H7N3O/c7-4-2-1-3(6-4)5(8)9;1-7-2-3(8)6-4(7)5/h3H,1-2H2,(H,6,7)(H,8,9);2H2,1H3,(H2,5,6,8)",C5H7NO3.C4H7N3O,,,,,,VNJQFFGBEYGRAE-DFWYDOINSA-N,,,,,,,,,,,
100.047.004,251-720-9,33889-69-9,Silicristin,"2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one",OC[C@H]1[C@@H](Oc2c(O)cc(cc12)[C@H]3Oc4cc(O)cc(O)c4C(=O)[C@@H]3O)c5ccc(O)c(O)c5,OC[C@H]1[C@@H](Oc2c(O)cc(cc12)[C@H]3Oc4cc(O)cc(O)c4C(=O)[C@@H]3O)c5ccc(O)c(O)c5,"InChI=1/C24H20O10/c25-8-13-12-3-10(23-21(32)20(31)19-16(29)6-11(26)7-18(19)33-23)5-17(30)24(12)34-22(13)9-1-2-14(27)15(28)4-9/h1-7,13,21-23,25-30,32H,8H2",C25H22O10,,,,,,ZVDHNGCXOXQZDH-GBTFFCSRSA-N,,,,,,,,,,,
100.047.006,251-723-5,33892-75-0,"5-methoxy-1,2,3,4-tetrahydronaphthalen-1-one","5-methoxy-3,4-dihydronaphthalen-1(2H)-one",COc1cccc2C(=O)CCCc12,COc1cccc2C(=O)CCCc12,"InChI=1/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3",C11H12O2,,,,,,BRCPWISABURVIH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.096,263-926-6,63147-42-2,7-amino-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid,7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S(O)(=O)=O,"InChI=1/C22H17N5O7S2/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34)",C22H17N5O7S2,,,,,,WGIIJSJDWAQMMF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.098,263-928-7,63148-75-4,"Ammonium 3,6,9,12,15,18-hexaoxahentriacontyl sulphate","ammonium 3,6,9,12,15,18-hexaoxahentriacont-1-yl sulfate",[NH4+].CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C25H52O10S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-29-14-15-30-16-17-31-18-19-32-20-21-33-22-23-34-24-25-35-36(26,27)28;/h2-25H2,1H3,(H,26,27,28);1H3",C25H52O10S.H3N,,,,,,LHOOJRCYCDJNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.099,263-929-2,63148-77-6,"4-[[3-[[(1,1-dimethylethyl)amino]sulphonyl]-4-hydroxy-8-[(methylsulphonyl)amino]-1-naphthyl]azo]benzenesulphonic acid",4-({3-(tert-butylsulfamoyl)-4-hydroxy-8-[(methylsulfonyl)amino]-1-naphthyl}diazenyl)benzenesulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2cc(c(O)c3cccc(NS(C)(=O)=O)c23)S(=O)(=O)NC(C)(C)C,OS(=O)(=O)c1ccc(cc1)N=Nc2cc(c(O)c3cccc(NS(C)(=O)=O)c23)S(=O)(=O)NC(C)(C)C,"InChI=1/C21H24N4O8S3/c1-21(2,3)25-35(29,30)18-12-17(23-22-13-8-10-14(11-9-13)36(31,32)33)19-15(20(18)26)6-5-7-16(19)24-34(4,27)28/h5-12,24-26H,1-4H3,(H,31,32,33)",C21H24N4O8S3,,,,,,XFRJLKYCTFMGRC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.100,263-930-8,63148-79-8,S-(5-acetyl-4-methylthiazol-2-yl) O-benzyl thiocarbonate,"S-(5-acetyl-4-methyl-1,3-thiazol-2-yl) O-benzyl thiocarbonate",CC(=O)c1sc(SC(=O)OCc2ccccc2)nc1C,CC(=O)c1sc(SC(=O)OCc2ccccc2)nc1C,"InChI=1/C14H13NO3S2/c1-9-12(10(2)16)19-13(15-9)20-14(17)18-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3",C14H13NO3S2,,,,,,GSCHNMOIVICJQS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.102,263-932-9,63148-81-2,"[4-[[4-(dimethylamino)phenyl](4-methoxy-3-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium","5-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-2-methoxybenzenesulfonate",COc1ccc(cc1S(=O)(=O)[O-])C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,COc1ccc(cc1S(=O)(=O)[O-])C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,"InChI=1/C24H26N2O4S/c1-25(2)20-11-6-17(7-12-20)24(18-8-13-21(14-9-18)26(3)4)19-10-15-22(30-5)23(16-19)31(27,28)29/h6-16H,1-5H3",C24H26N2O4S,,,,,,ZBNXZDUJGJNFHA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.105,263-936-0,63148-84-5,"2-[4-(acetylanilino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium","4-(2-{4-[(2-acetylphenyl)amino]buta-1,3-dien-1-yl}naphtho[2,3-d][1,3]thiazol-3-ium-3-yl)butane-2-sulfonate",CC(=O)c4ccccc4NC=CC=Cc2sc1cc3ccccc3cc1[n+]2CCC(C)S([O-])(=O)=O,CC(=O)c4ccccc4NC=CC=Cc2sc1cc3ccccc3cc1[n+]2CCC(C)S([O-])(=O)=O,"InChI=1/C27H26N2O4S2/c1-19(35(31,32)33)14-16-29-25-17-21-9-3-4-10-22(21)18-26(25)34-27(29)13-7-8-15-28-24-12-6-5-11-23(24)20(2)30/h3-13,15,17-19H,14,16H2,1-2H3,(H,31,32,33)",C27H26N2O4S2,,,,,,UTOORHZTIHHFPH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.472,265-438-9,65104-66-7,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C24H9F37O2/c1-5(2)6(62)63-4-3-7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)17(45,46)18(47,48)19(49,50)20(51,52)21(53,54)22(55,56)23(57,58)24(59,60)61/h1,3-4H2,2H3",C24H9F37O2,,,,,,OWAQRMVKMUUGIA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.481,265-448-3,65109-28-6,2-isopropyl-1H-imidazole-1-propiononitrile,3-(2-isopropyl-1H-imidazol-1-yl)propanenitrile,CC(C)c1nccn1CCC#N,CC(C)c1nccn1CCC#N,"InChI=1/C9H13N3/c1-8(2)9-11-5-7-12(9)6-3-4-10/h5,7-8H,3,6H2,1-2H3",C9H13N3,,,,,,SIALAAQDYFPPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.485,265-453-0,65113-99-7,"a,ß,2,2,3-pentamethylcyclopent-3-ene-1-butanol","3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol",CC(O)C(C)CCC1CC=C(C)C1(C)C,CC(O)C(C)CCC1CC=C(C)C1(C)C,"InChI=1/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3",C14H26O,,,,,,NGYMOTOXXHCHOC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.490,265-458-8,65121-70-2,"4,11-diamino-2-ethyl-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone","4,11-diamino-2-ethyl-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",CCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,CCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C18H13N3O4/c1-2-21-17(24)11-12(18(21)25)14(20)10-9(13(11)19)15(22)7-5-3-4-6-8(7)16(10)23/h3-6H,2,19-20H2,1H3",C18H13N3O4,,,,,,MJRAWDJHNNPSHG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.423,262-085-2,60154-16-7,3-formamido-4-hydroxyphenylarsonic acid,(3-formamido-4-hydroxyphenyl)arsonic acid,Oc1ccc(cc1NC=O)[As](=O)(O)O,Oc1ccc(cc1NC=O)[As](=O)(O)O,"InChI=1/C7H8AsNO5/c10-4-9-6-3-5(8(12,13)14)1-2-7(6)11/h1-4,11H,(H,9,10)(H2,12,13,14)",C7H8AsNO5,,,,,,MRRBSAJNXHXCBL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.424,262-086-8,60154-17-8,Calcium 4-aminobenzoate (1:2),calcium bis(4-aminobenzoate),[CaH2].Nc1ccc(cc1)C(=O)[O-].Nc2ccc(cc2)C(=O)[O-],[CaH2].Nc1ccc(cc1)C(=O)[O-].Nc2ccc(cc2)C(=O)[O-],"InChI=1/2C7H7NO2.Ca.2H/c2*8-6-3-1-5(2-4-6)7(9)10;;;/h2*1-4H,8H2,(H,9,10);;;/q;;+2;;/p-2/r2C7H7NO2.CaH2/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,8H2,(H,9,10);1H2/q;;+2/p-2",C7H7NO2.1/2Ca,,,,,,HFYZGNUOAODOAV-UHFFFAOYSA-L,,,,,,,,,,,
100.056.425,262-087-3,60154-91-8,"Lithium 9,10-dihydroxyoctadecanoate","lithium 9,10-dihydroxyoctadecanoate",[Li+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],[Li+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],"InChI=1/C18H36O4.Li/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h16-17,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1",C18H36O4.Li,,,,,,FZYNNDRSRSNFCL-UHFFFAOYSA-M,,,,,,,,,,,
100.056.431,262-094-1,60168-84-5,"1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane monobenzoate","1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane benzoate",OC(=O)c1ccccc1.C2N3CN4CN(CN2C4)C3,OC(=O)c1ccccc1.C2N3CN4CN(CN2C4)C3,"InChI=1/C7H6O2.C6H12N4/c8-7(9)6-4-2-1-3-5-6;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5H,(H,8,9);1-6H2",C7H6O2.C6H12N4,,,,,,IRNGTMOQEBWMAG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.440,262-103-9,60207-89-8,"2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane","2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane",CCCC1COC(CBr)(O1)c2ccc(Cl)cc2Cl,CCCC1COC(CBr)(O1)c2ccc(Cl)cc2Cl,"InChI=1/C13H15BrCl2O2/c1-2-3-10-7-17-13(8-14,18-10)11-5-4-9(15)6-12(11)16/h4-6,10H,2-3,7-8H2,1H3",C13H15BrCl2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5662,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.440,PJVTZAKVRVBCMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.442,262-106-5,60207-92-3,"2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane","2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane",CCC1COC(CBr)(O1)c2ccc(Cl)cc2Cl,CCC1COC(CBr)(O1)c2ccc(Cl)cc2Cl,"InChI=1/C12H13BrCl2O2/c1-2-9-6-16-12(7-13,17-9)10-4-3-8(14)5-11(10)15/h3-5,9H,2,6-7H2,1H3",C12H13BrCl2O2,,,,,,WVOHJAWNRZYVCS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.444,262-108-6,60209-82-7,Isodecyl pivalate,8-methylnonyl pivalate,CC(C)CCCCCCCOC(=O)C(C)(C)C,CC(C)CCCCCCCOC(=O)C(C)(C)C,"InChI=1/C15H30O2/c1-13(2)11-9-7-6-8-10-12-17-14(16)15(3,4)5/h13H,6-12H2,1-5H3",C15H30O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10733,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.444,KGKQNDQDVZQTAG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.452,262-117-5,60241-53-4,"a,ß,2,2,6-pentamethylcyclohexanepropanol","3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol",CC(O)C(C)CC1C(C)CCCC1(C)C,CC(O)C(C)CC1C(C)CCCC1(C)C,"InChI=1/C14H28O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-13,15H,6-9H2,1-5H3",C14H28O,,,,,,HMENPFAAAQWASO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.811,263-612-9,62584-33-2,"N-[[(3,5-dichlorophenyl)amino]carbonyl]glycine","N-[(3,5-dichlorophenyl)carbamoyl]glycine",OC(=O)CNC(=O)Nc1cc(Cl)cc(Cl)c1,OC(=O)CNC(=O)Nc1cc(Cl)cc(Cl)c1,"InChI=1/C9H8Cl2N2O3/c10-5-1-6(11)3-7(2-5)13-9(16)12-4-8(14)15/h1-3H,4H2,(H,14,15)(H2,12,13,16)",C9H8Cl2N2O3,,,,,,LUTUCNIKEYNGLK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.812,263-613-4,62586-85-0,4-chloro-a-cyclopropyl-a-methylbenzyl alcohol,1-(4-chlorophenyl)-1-cyclopropylethanol,CC(O)(C1CC1)c2ccc(Cl)cc2,CC(O)(C1CC1)c2ccc(Cl)cc2,"InChI=1/C11H13ClO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3",C11H13ClO,,,,,,OSFCGPVNQAPOHW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.814,263-616-0,62586-97-4,"4-chloro-a,a-dicyclopropylbenzyl alcohol",(4-chlorophenyl)(dicyclopropyl)methanol,OC(C1CC1)(C2CC2)c3ccc(Cl)cc3,OC(C1CC1)(C2CC2)c3ccc(Cl)cc3,"InChI=1/C13H15ClO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4H2",C13H15ClO,,,,,,OVIMMGOKMSTAHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.816,263-618-1,62591-95-1,1-amino-4-hydroxy-2-(phenylthio)anthraquinone,"1-amino-4-hydroxy-2-(phenylsulfanyl)-9,10-anthraquinone",Nc1c(Sc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Sc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO3S/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2",C20H13NO3S,,,,,,KBLRWVXBAOMMNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.819,263-621-8,62595-81-7,2-aminophenylhydrazine dihydrochloride,2-hydrazinoaniline dihydrochloride,Cl.Cl.NNc1ccccc1N,Cl.Cl.NNc1ccccc1N,"InChI=1/C6H9N3.2ClH/c7-5-3-1-2-4-6(5)9-8;;/h1-4,9H,7-8H2;2*1H",C6H9N3.2ClH,,,,,,UKCJBTXHZRDRLH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.828,263-631-2,62609-84-1,"Methyl 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoate","methyl 4-{1-[(2,4-dichlorophenyl)carbamoyl]-3,3-dimethyl-2-oxobutoxy}benzoate",COC(=O)c1ccc(OC(C(=O)Nc2ccc(Cl)cc2Cl)C(=O)C(C)(C)C)cc1,COC(=O)c1ccc(OC(C(=O)Nc2ccc(Cl)cc2Cl)C(=O)C(C)(C)C)cc1,"InChI=1/C21H21Cl2NO5/c1-21(2,3)18(25)17(19(26)24-16-10-7-13(22)11-15(16)23)29-14-8-5-12(6-9-14)20(27)28-4/h5-11,17H,1-4H3,(H,24,26)",C21H21Cl2NO5,,,,,,PCTGLIYVNCBXCA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.841,263-645-9,62625-14-3,2-amino-6-chloro-4-nitrophenol monohydrochloride,2-amino-6-chloro-4-nitrophenol hydrochloride,Cl.Nc1cc(cc(Cl)c1O)[N+](=O)[O-],Cl.Nc1cc(cc(Cl)c1O)[N+](=O)[O-],"InChI=1/C6H5ClN2O3.ClH/c7-4-1-3(9(11)12)2-5(8)6(4)10;/h1-2,10H,8H2;1H",C6H5ClN2O3.ClH,,,,,,HXKQPFKBBNRPEK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.219,267-362-1,67846-18-8,"Octyl dihydrogen phosphate, compound with N,N-dimethyloctadecylamine (1:1)","octyl dihydrogen phosphate - N,N-dimethyloctadecan-1-amine (1:1)",CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCOP(=O)(O)O,CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCOP(=O)(O)O,"InChI=1/C20H43N.C8H19O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-12-13(9,10)11/h4-20H2,1-3H3;2-8H2,1H3,(H2,9,10,11)",C20H43N.C8H19O4P,,,,,,CDIGSOJIQOIUPU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.220,267-363-7,67846-19-9,"Dioctyl hydrogen phosphate, compound with N,N-dimethyloctadecylamine (1:1)","dioctyl hydrogen phosphate - N,N-dimethyloctadecan-1-amine (1:1)",CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCOP(=O)(O)OCCCCCCCC,CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCOP(=O)(O)OCCCCCCCC,"InChI=1/C20H43N.C16H35O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h4-20H2,1-3H3;3-16H2,1-2H3,(H,17,18)",C20H43N.C16H35O4P,,,,,,LXADRRWJCBMMLX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.225,267-368-4,67846-55-3,"4-amino-5-hydroxy-3-[[4-[5-[(4-hydroxyphenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonic acid","4-amino-5-hydroxy-3-[(4-{5-[(4-hydroxyphenyl)diazenyl]-1H-benzimidazol-2-yl}phenyl)diazenyl]-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",OS(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6)S(O)(=O)=O,OS(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6)S(O)(=O)=O,"InChI=1/C35H25N9O8S2/c36-31-30-20(17-29(54(50,51)52)33(34(30)46)44-40-21-4-2-1-3-5-21)16-28(53(47,48)49)32(31)43-41-22-8-6-19(7-9-22)35-37-26-15-12-24(18-27(26)38-35)42-39-23-10-13-25(45)14-11-23/h1-18,45-46H,36H2,(H,37,38)(H,47,48,49)(H,50,51,52)",C35H25N9O8S2,,,,,,YWFVUINYAWNXHH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.853,261-458-7,58822-29-0,"(22a,25R)-28-acetylspirosol-5-en-3ß-ol",28-acetylspirosol-5-en-3-ol,C[C@@H]1CCC2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)N(C1)C(=O)C,C[C@@H]1CCC2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)N(C1)C(=O)C,"InChI=1/C29H45NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,32H,7-16H2,1-5H3",C29H45NO3,,,,,,JXAZKNVJWYDQJY-KYOMLBQKSA-N,,,,,,,,,,,
100.055.857,261-462-9,58823-91-9,Sodium N-[imino(phosphonoamino)methyl]-N-methylaminoacetate,sodium N-[(hydroxyphosphinato)carbamimidoyl]-N-methylglycine,CN(CC(=O)O)C(=N)NP(=O)(O)O[Na],CN(CC(=O)O)C(=N)NP(=O)(O)O[Na],"InChI=1/C4H10N3O5P.Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);/q;+1/p-1/rC4H9N3NaO5P/c1-7(2-3(9)10)4(5)6-14(11,12)13-8/h2H2,1H3,(H,9,10)(H3,5,6,11,12)",C4H10N3O5P.Na,,,,,,ZKXLDDHHUCNNBQ-UHFFFAOYSA-M,,,,,,,,,,,
100.055.862,261-468-1,58840-33-8,Potassium hydrogen octylphosphonate,potassium hydrogen octylphosphonate,[K+].CCCCCCCCP(=O)([O-])[O-],[K+].CCCCCCCCP(=O)([O-])[O-],"InChI=1/C8H19O3P.K/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H2,9,10,11);/q;+1/p-2",C8H19O3P.K,,,,,,BBANRGOZFMBHBD-UHFFFAOYSA-L,,,,,,,,,,,
100.055.864,261-470-2,58849-75-5,1-methoxy-1-oxohexadecane-2-sulphonic acid,1-methoxy-1-oxohexadecane-2-sulfonic acid,CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C17H34O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17(18)22-2)23(19,20)21/h16H,3-15H2,1-2H3,(H,19,20,21)",C17H34O5S,,,,,,CBFFVBXZKOWOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.866,261-472-3,58859-46-4,Ethyl 4-aminopiperidine-1-carboxylate,ethyl 4-aminopiperidine-1-carboxylate,CCOC(=O)N1CCC(N)CC1,CCOC(=O)N1CCC(N)CC1,"InChI=1/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3",C8H16N2O2,,,,,,GQQQULCEHJQUJT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.868,261-474-4,58868-75-0,Bis[[2-(methacryloyloxy)ethyl]dimethylammonium] sulphate,"bis[2-(methacryloyloxy)-N,N-dimethylethanaminium] sulfate",C[NH+](C)CCOC(=O)C(=C)C.C[NH+](C)CCOC(=O)C(=C)C.[O-]S(=O)(=O)[O-],C[NH+](C)CCOC(=O)C(=C)C.C[NH+](C)CCOC(=O)C(=C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C8H15NO2.H2O4S/c2*1-7(2)8(10)11-6-5-9(3)4;1-5(2,3)4/h2*1,5-6H2,2-4H3;(H2,1,2,3,4)",C8H15NO2.1/2H2O4S,,,,,,XYTXSJNHYMUBFL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.872,261-479-1,58878-36-7,2-(2-hydroxyethyl)-1-methylpyridinium methyl sulphate,2-(2-hydroxyethyl)-1-methylpyridinium methyl sulfate,COS(=O)(=O)[O-].C[n+]1ccccc1CCO,COS(=O)(=O)[O-].C[n+]1ccccc1CCO,"InChI=1/C8H12NO.CH4O4S/c1-9-6-3-2-4-8(9)5-7-10;1-5-6(2,3)4/h2-4,6,10H,5,7H2,1H3;1H3,(H,2,3,4)/q+1;/p-1",C8H12NO.CH3O4S,,,,,,ZYVMAKJHAZNZGP-UHFFFAOYSA-M,,,,,,,,,,,
100.055.873,261-480-7,58878-37-8,2-(2-chloroethyl)-1-methylpiperidinium chloride,2-(2-chloroethyl)-1-methylpiperidinium chloride,[Cl-].C[NH+]1CCCCC1CCCl,[Cl-].C[NH+]1CCCCC1CCCl,"InChI=1/C8H16ClN.ClH/c1-10-7-3-2-4-8(10)5-6-9;/h8H,2-7H2,1H3;1H",C8H16ClN.ClH,,,,,,WVBKLELBSWJXAT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.502,263-272-1,61847-48-1,"Methyl 4-[[(2,5-dichlorophenyl)amino]carbonyl]-2-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]benzoate","methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)benzoate",Clc5ccc(Cl)cc5NC(=O)c4ccc(C(=O)OC)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)c4,Clc5ccc(Cl)cc5NC(=O)c4ccc(C(=O)OC)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)c4,"InChI=1/C33H24Cl2N4O6/c1-44-28-10-6-5-9-25(28)36-32(42)23-15-18-7-3-4-8-21(18)29(30(23)40)39-38-26-16-19(11-13-22(26)33(43)45-2)31(41)37-27-17-20(34)12-14-24(27)35/h3-17,40H,1-2H3,(H,36,42)(H,37,41)",C33H24Cl2N4O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11267,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.502,MERWBGHMSXDWBM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.008,251-725-6,33898-53-2,Aziridine-2-carbonitrile,aziridine-2-carbonitrile,N#CC1CN1,N#CC1CN1,"InChI=1/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2",C3H4N2,,,,,,PGZUFTROELAOMP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.019,251-737-1,33910-44-0,"Methylenedinaphthalene-1,2-diyl bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","methylenedinaphthalene-1,2-diyl bis[6-(1lambda~5~-diazynylidene)-5-oxo-5,6-dihydronaphthalene-1-sulfonate]",O=C1C(=N#N)C=Cc2c1cccc2S(=O)(=O)Oc3ccc4ccccc4c3Cc5c(OS(=O)(=O)c6cccc7C(=O)C(=N#N)C=Cc67)ccc8ccccc58,O=C1C(=N#N)C=Cc2c1cccc2S(=O)(=O)Oc3ccc4ccccc4c3Cc5c(OS(=O)(=O)c6cccc7C(=O)C(=N#N)C=Cc67)ccc8ccccc58,"InChI=1/C41H24N4O8S2/c42-44-34-19-17-28-30(40(34)46)11-5-13-38(28)54(48,49)52-36-21-15-24-7-1-3-9-26(24)32(36)23-33-27-10-4-2-8-25(27)16-22-37(33)53-55(50,51)39-14-6-12-31-29(39)18-20-35(45-43)41(31)47/h1-22H,23H2",C41H24N4O8S2,,,,,,ACKWMZRBCBIVRX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.026,251-745-5,33924-49-1,5-chloro-2-methoxy-N-(2-phenylethyl)benzamide,5-chloro-2-methoxy-N-(2-phenylethyl)benzamide,COc1ccc(Cl)cc1C(=O)NCCc2ccccc2,COc1ccc(Cl)cc1C(=O)NCCc2ccccc2,"InChI=1/C16H16ClNO2/c1-20-15-8-7-13(17)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)",C16H16ClNO2,,,,,,MTPTUMXFGUUUSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.027,251-746-0,33925-62-1,10-propoxydecan-1-ol,10-propoxydecan-1-ol,CCCOCCCCCCCCCCO,CCCOCCCCCCCCCCO,"InChI=1/C13H28O2/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14/h14H,2-13H2,1H3",C13H28O2,,,,,,IJXBLOJMKJMYGR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.043,251-763-3,33963-94-9,"2,4,5,7-tetranitroacridin-9(10H)-one","2,4,5,7-tetranitroacridin-9(10H)-one",[O-][N+](=O)c1cc2C(=O)c3cc(cc(c3Nc2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc2C(=O)c3cc(cc(c3Nc2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C13H5N5O9/c19-13-7-1-5(15(20)21)3-9(17(24)25)11(7)14-12-8(13)2-6(16(22)23)4-10(12)18(26)27/h1-4H,(H,14,19)",C13H5N5O9,,,,,,IWAAXWFVRXGJLD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.267,267-414-3,67859-66-9,Disodium mercaptomethanesulphonate,disodium mercaptomethanesulphonate,[Na+].[Na+].[O-]S(=O)(=O)CS.[O-]S(=O)(=O)CS,[Na+].[Na+].[O-]S(=O)(=O)CS.[O-]S(=O)(=O)CS,"InChI=1/2CH4O3S2.2Na/c2*2-6(3,4)1-5;;/h2*5H,1H2,(H,2,3,4);;/q;;2*+1/p-2",CH4O3S2.2Na,,,,,,JWVYWONRYNQIOP-UHFFFAOYSA-L,,,,,,,,,,,
100.061.285,267-434-2,67860-00-8,"<U+03B7>-1H-indol-3-yl-a,a,e-trimethyl-1H-indole-3-heptanol","8,8-di-3H-indol-3-yl-2,6-dimethyloctan-2-ol",CC(CCCC(C)(C)O)CC(C1C=Nc2ccccc12)C3C=Nc4ccccc34,CC(CCCC(C)(C)O)CC(C1C=Nc2ccccc12)C3C=Nc4ccccc34,"InChI=1/C26H32N2O/c1-18(9-8-14-26(2,3)29)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h4-7,10-13,16-18,21-23,29H,8-9,14-15H2,1-3H3",C26H32N2O,,,,,,QWWDRNFZSAZCQE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.297,267-447-3,67873-93-2,"6-decyl 1-octyl 2,4,4-trimethyladipate","6-decyl 1-octyl 2,4,4-trimethylhexanedioate",CCCCCCCCCCOC(=O)CC(C)(C)CC(C)C(=O)OCCCCCCCC,CCCCCCCCCCOC(=O)CC(C)(C)CC(C)C(=O)OCCCCCCCC,"InChI=1/C27H52O4/c1-6-8-10-12-14-15-17-18-20-30-25(28)23-27(4,5)22-24(3)26(29)31-21-19-16-13-11-9-7-2/h24H,6-23H2,1-5H3",C27H52O4,,,,,,XFIZFSOWVUXQHE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.298,267-448-9,67873-95-4,"2-methyl-2-[[(1-oxododecyl)oxy]methyl]propane-1,3-diyl dilaurate",3-(dodecanoyloxy)-2-[(dodecanoyloxy)methyl]-2-methylpropyl laurate (non-preferred name),CCCCCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,"InChI=1/C41H78O6/c1-5-8-11-14-17-20-23-26-29-32-38(42)45-35-41(4,36-46-39(43)33-30-27-24-21-18-15-12-9-6-2)37-47-40(44)34-31-28-25-22-19-16-13-10-7-3/h5-37H2,1-4H3",C41H78O6,,,,,,PBHKDCBZJONOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.300,267-451-5,67874-05-9,"2-methyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate",3-(decanoyloxy)-2-[(decanoyloxy)methyl]-2-methylpropyl decanoate (non-preferred name),CCCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC,"InChI=1/C35H66O6/c1-5-8-11-14-17-20-23-26-32(36)39-29-35(4,30-40-33(37)27-24-21-18-15-12-9-6-2)31-41-34(38)28-25-22-19-16-13-10-7-3/h5-31H2,1-4H3",C35H66O6,,,,,,GCEHDURERRQQCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.304,267-455-7,67874-14-0,"1-[2-[(2-cyanoethyl)(1-oxodocosyl)amino]ethyl]-1-ethyl-2-henicosyl-4,5-dihydro-1H-imidazolium ethyl sulphate","1-{2-[(2-cyanoethyl)(docosanoyl)amino]ethyl}-1-ethyl-2-henicosyl-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C53H103N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-52-55-47-50-57(52,6-3)51-49-56(48-43-46-54)53(58)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-45,47-51H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C53H103N4O.C2H5O4S,,,,,,LTIHTLLUEAQLBY-UHFFFAOYSA-M,,,,,,,,,,,
100.056.707,262-397-9,60737-54-4,1-(cyclopropylmethyl)-2-(nitromethylene)pyrrolidine,1-(cyclopropylmethyl)-2-(nitromethylene)pyrrolidine,[O-][N+](=O)C=C2CCCN2CC1CC1,[O-][N+](=O)C=C2CCCN2CC1CC1,"InChI=1/C9H14N2O2/c12-11(13)7-9-2-1-5-10(9)6-8-3-4-8/h7-8H,1-6H2",C9H14N2O2,,,,,,JGZSQTNMSGRPHP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.491,265-459-3,65121-73-5,"1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium hydrogen sulphate","1,3,3-trimethyl-2-[methyl(phenyl)carbonohydrazonoyl]-3H-indolium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,[H+].[O-]S([O-])(=O)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,"InChI=1/C19H22N3.H2O4S.H2/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5(2,3)4;/h5-14H,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C19H22N3.HO4S,,,,,,TVVVIPKPEFHAOO-UHFFFAOYSA-M,,,,,,,,,,,
100.059.497,265-466-1,65121-84-8,"1,3-diallyl-2-[2-(1-methoxy-2-phenyl-1H-indol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate","1,3-diallyl-2-[2-(1-methoxy-2-phenyl-1H-indol-3-yl)vinyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium 4-methylbenzenesulfonate",COn1c(c(\\C=C\\C2N(CC=C)c3nc4ccccc4nc3[NH+]2CC=C)c5ccccc15)c6ccccc6.Cc7ccc(cc7)S(=O)(=O)[O-],COn1c(c(\C=C\C2N(CC=C)c3nc4ccccc4nc3[NH+]2CC=C)c5ccccc15)c6ccccc6.Cc7ccc(cc7)S(=O)(=O)[O-],"InChI=1/C32H29N5O.C7H8O3S/c1-4-21-35-29(36(22-5-2)32-31(35)33-26-16-10-11-17-27(26)34-32)20-19-25-24-15-9-12-18-28(24)37(38-3)30(25)23-13-7-6-8-14-23;1-6-2-4-7(5-3-6)11(8,9)10/h4-20,29H,1-2,21-22H2,3H3;2-5H,1H3,(H,8,9,10)",C32H28N5O.C7H7O3S,,,,,,SWHIIVFUMNSBFH-RZLHGTIFSA-N,,,,,,,,,,,
100.056.142,261-776-6,59467-96-8,"8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine monohydrochloride","8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine hydrochloride",Cl.Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12,Cl.Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12,"InChI=1/C18H13ClFN3.ClH/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;/h2-9H,10H2,1H3;1H",C18H13ClFN3.ClH,,,,,,PLYSCVSCYOQVRP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.143,261-777-1,59468-44-9,"8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid","8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid",Cc1nc(C(=O)O)c2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12,Cc1nc(C(=O)O)c2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12,"InChI=1/C19H13ClFN3O2/c1-10-23-18(19(25)26)16-9-22-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)24(10)16/h2-8H,9H2,1H3,(H,25,26)",C19H13ClFN3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18107,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.143,WZNYKINYEPCGAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.146,261-780-8,59476-65-2,"[1R-[1a(Z),2ß(S*),3a,5a]]-7-[2-(5-cyclohexyl-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid","7-[2-(5-cyclohexyl-3-hydroxypent-1-yn-1-yl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid",OC(CCC1CCCCC1)C#CC2C(O)CC(O)C2CC=CCCCC(=O)O,OC(CCC1CCCCC1)C#CC2C(O)CC(O)C2CC=CCCCC(=O)O,"InChI=1/C23H36O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,6,17-22,24-26H,2-5,7-13,16H2,(H,27,28)",C23H36O5,,,,,,QXXNWYMEVJFAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.152,261-787-6,59491-11-1,"N-(2,5-dichloro-3-thienyl)acetamide","N-(2,5-dichloro-3-thienyl)acetamide",CC(=O)Nc1cc(Cl)sc1Cl,CC(=O)Nc1cc(Cl)sc1Cl,"InChI=1/C6H5Cl2NOS/c1-3(10)9-4-2-5(7)11-6(4)8/h2H,1H3,(H,9,10)",C6H5Cl2NOS,,,,,,NUJDRHKCNHWCGX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.161,261-797-0,59534-55-3,Tetrachloro-µ-ethylenedialuminium,-,Cl[Al](Cl)CC[Al](Cl)Cl,Cl[Al](Cl)CC[Al](Cl)Cl,InChI=1/C2H4.2Al.4ClH/c1-2;;;;;;/h1-2H2;;;4*1H/q;2*+2;;;;/p-4/rC2H4Al2Cl4/c5-3(6)1-2-4(7)8/h1-2H2,C2H4Al2Cl4,,,,,,CCTPJIVHRJPDJX-UHFFFAOYSA-J,,,,,,,,,,,
100.056.162,261-798-6,59536-15-1,4-[(heptadecafluorononenyl)oxy]benzenesulphonyl chloride,"4-[(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-en-1-yl)oxy]benzenesulfonyl chloride",FC(Oc1ccc(cc1)S(Cl)(=O)=O)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(Oc1ccc(cc1)S(Cl)(=O)=O)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H4ClF17O3S/c16-37(34,35)6-3-1-5(2-4-6)36-8(18)7(17)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33/h1-4H",C15H4ClF17O3S,,,,,,PPJLYJGIFDYVNT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.172,261-808-9,59568-87-5,5-(4-aminophenyl)-2-amine-1N-benzimidazol-,5-(4-aminophenyl)-1H-benzimidazol-2-amine,Nc1ccc(cc1)c2ccc3[nH]c(N)nc3c2,Nc1ccc(cc1)c2ccc3[nH]c(N)nc3c2,"InChI=1/C13H12N4/c14-10-4-1-8(2-5-10)9-3-6-11-12(7-9)17-13(15)16-11/h1-7H,14H2,(H3,15,16,17)",C13H12N4,,,,,,VTIAAWFNZXZEGH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.173,261-809-4,59569-67-4,2-hydroxypropyl valerate,2-hydroxypropyl valerate,CCCCC(=O)OCC(C)O,CCCCC(=O)OCC(C)O,"InChI=1/C8H16O3/c1-3-4-5-8(10)11-6-7(2)9/h7,9H,3-6H2,1-2H3",C8H16O3,,,,,,NEEPKCJTYSMSQT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.174,261-811-5,59571-05-0,"Propane-1,3-diol, sodium salt",-,[Na+].OCCCO,[Na+].OCCCO,"InChI=1/C3H8O2.Na/c4-2-1-3-5;/h4-5H,1-3H2;/q;+1",C3H8O2.xNa,,,,,,DVGJKGMOQYOZIV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.182,261-819-9,59587-44-9,2-ethylhexyl nonanoate,2-ethylhexyl nonanoate,CCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C17H34O2/c1-4-7-9-10-11-12-14-17(18)19-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3",C17H34O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11194,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.182,CCFWAONPPYWNDM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.561,263-336-9,61931-80-4,"1,5-dimethyl-1-vinylhept-4-enyl acetate","1,5-dimethyl-1-vinylhept-4-en-1-yl acetate",O=C(C)OC(C)(CCC=C(C)CC)C=C,O=C(C)OC(C)(CCC=C(C)CC)C=C,"InChI=1/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3",C13H22O2,,,,,,IVSZEHYDOLAREK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.562,263-337-4,61931-81-5,(Z)-hex-3-enyl lactate,hex-3-en-1-yl 2-hydroxypropanoate,CC\\C=C/CCOC(=O)C(C)O,CC\C=C/CCOC(=O)C(C)O,"InChI=1/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3",C9H16O3,,,,,,NNLLMULULOBXBY-PLNGDYQASA-N,,,,,,,,,,,
100.057.843,263-648-5,62625-16-5,Tripotassium 2-[hydroxybis[4-(sulphonatooxy)phenyl]methyl]benzoate,tripotassium 2-(hydroxy{bis[4-(sulfonatooxy)phenyl]}methyl)benzoate,[K+].[K+].[K+].OC(c1ccc(OS(=O)(=O)[O-])cc1)(c2ccc(OS(=O)(=O)[O-])cc2)c3ccccc3C(=O)[O-],[K+].[K+].[K+].OC(c1ccc(OS(=O)(=O)[O-])cc1)(c2ccc(OS(=O)(=O)[O-])cc2)c3ccccc3C(=O)[O-],"InChI=1/C20H16O11S2.3K/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3",C20H16O11S2.3K,,,,,,PLHSVCWOEHYSHO-UHFFFAOYSA-K,,,,,,,,,,,
100.057.844,263-649-0,62625-17-6,"Potassium 2,4,5-trichlorobenzenesulphonate","potassium 2,4,5-trichlorobenzenesulfonate",[K+].[O-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,[K+].[O-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H3Cl3O3S.K/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;/h1-2H,(H,10,11,12);/q;+1/p-1",C6H3Cl3O3S.K,,,,,,DRPLRPSXUUSFOB-UHFFFAOYSA-M,,,,,,,,,,,
100.059.738,265-731-1,65399-05-5,5-aminophthalide,5-amino-2-benzofuran-1(3H)-one,Nc1ccc2C(=O)OCc2c1,Nc1ccc2C(=O)OCc2c1,"InChI=1/C8H7NO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4,9H2",C8H7NO2,,,,,,ISMUWQMUWFPFBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.743,265-736-9,65405-66-5,"11,11-dimethoxyundec-1-ene","11,11-dimethoxyundec-1-ene",COC(CCCCCCCCC=C)OC,COC(CCCCCCCCC=C)OC,"InChI=1/C13H26O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h4,13H,1,5-12H2,2-3H3",C13H26O2,,,,,,NMUOIBRAVXKEQL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.747,265-741-6,65405-70-1,(E)-4-decenal,dec-4-enal,CCCCC\\C=C\\CCC=O,CCCCC\C=C\CCC=O,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3",C10H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17668,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.747,CWRKZMLUDFBPAO-VOTSOKGWSA-N,,,,,,,,,,,
100.061.502,267-673-2,67905-52-6,1-methoxy-4-[(4-methylphenyl)amino]anthraquinone,"1-methoxy-4-[(4-methylphenyl)amino]-9,10-anthraquinone",COc1ccc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c13,COc1ccc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H17NO3/c1-13-7-9-14(10-8-13)23-17-11-12-18(26-2)20-19(17)21(24)15-5-3-4-6-16(15)22(20)25/h3-12,23H,1-2H3",C22H17NO3,,,,,,BWOZYUXKRAILOH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.503,267-674-8,67905-53-7,"Disodium 4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-{[(2,3-dichloroquinoxalin-6-yl)carbonyl]amino}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc1cc(cc2cc(cc(NC(=O)c3ccc4nc(Cl)c(Cl)nc4c3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cc(cc(NC(=O)c3ccc4nc(Cl)c(Cl)nc4c3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C19H11Cl2N3O8S2.2Na/c20-17-18(21)23-13-5-8(1-2-12(13)22-17)19(26)24-14-6-10(33(27,28)29)3-9-4-11(34(30,31)32)7-15(25)16(9)14;;/h1-7,25H,(H,24,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C19H11Cl2N3O8S2.2Na,,,,,,FXZLQOBYWBJERC-UHFFFAOYSA-L,,,,,,,,,,,
100.061.505,267-676-9,67905-55-9,"Sodium 1-amino-9,10-dihydro-4-[[4-[(methylamino)methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({4-[(methylamino)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CNCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,[Na+].CNCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,"InChI=1/C22H19N3O5S.Na/c1-24-11-12-6-8-13(9-7-12)25-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27;/h2-10,24-25H,11,23H2,1H3,(H,28,29,30);/q;+1/p-1",C22H19N3O5S.Na,,,,,,QNLPSVXPKMRZDR-UHFFFAOYSA-M,,,,,,,,,,,
100.061.507,267-679-5,67905-57-1,"Disodium 1-amino-9,10-dihydro-4-[[4-[(methylamino)methyl]-2-sulphonatophenyl]amino]-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-({4-[(methylamino)methyl]-2-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].CNCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].CNCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C22H19N3O8S2.2Na/c1-24-10-11-6-7-14(16(8-11)34(28,29)30)25-15-9-17(35(31,32)33)20(23)19-18(15)21(26)12-4-2-3-5-13(12)22(19)27;;/h2-9,24-25H,10,23H2,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C22H19N3O8S2.2Na,,,,,,JUMQRWRPQINKPI-UHFFFAOYSA-L,,,,,,,,,,,
100.061.509,267-681-6,67905-60-6,"Sodium 1-amino-9,10-dihydro-4-[[4-[(dimethylamino)methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({4-[(dimethylamino)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CN(C)Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,[Na+].CN(C)Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,"InChI=1/C23H21N3O5S.Na/c1-26(2)12-13-7-9-14(10-8-13)25-17-11-18(32(29,30)31)21(24)20-19(17)22(27)15-5-3-4-6-16(15)23(20)28;/h3-11,25H,12,24H2,1-2H3,(H,29,30,31);/q;+1/p-1",C23H21N3O5S.Na,,,,,,MMSZKPPPRBFAGX-UHFFFAOYSA-M,,,,,,,,,,,
100.061.510,267-682-1,67905-61-7,"1,8-dihydroxy-2,4,5-trinitroanthraquinone","1,8-dihydroxy-2,4,5-trinitro-9,10-anthraquinone",Oc1ccc(c2C(=O)c3c(C(=O)c12)c(O)c(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Oc1ccc(c2C(=O)c3c(C(=O)c12)c(O)c(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H5N3O10/c18-7-2-1-4(15(22)23)8-10(7)14(21)11-9(13(8)20)5(16(24)25)3-6(12(11)19)17(26)27/h1-3,18-19H",C14H5N3O10,,,,,,ZBTXWMXJWUFKMS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.512,267-684-2,67905-67-3,3-[butyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile,"3-(butyl{4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile",N#CCCN(CCCC)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O,N#CCCN(CCCC)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O,"InChI=1/C20H20N6O2S/c1-2-3-12-25(13-4-11-21)16-7-5-15(6-8-16)23-24-20-22-18-10-9-17(26(27)28)14-19(18)29-20/h5-10,14H,2-4,12-13H2,1H3",C20H20N6O2S,,,,,,BDHHMEVHKNSMLP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.503,263-273-7,61849-14-7,"Sodium (5Z,13E,15S)-6,9a-epoxy-11a,15-dihydroxyprosta-5,13-dien-1-oate","sodium 11,15-dihydroxy-6,9-epoxyprosta-5,13-dien-1-oate",[Na+].CCCCC[C@H](O)\\C=C\\[C@H]1[C@H](O)C[C@@H]2O\\C(=C/CCCC(=O)[O-])\\C[C@H]12,[Na+].CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O\C(=C/CCCC(=O)[O-])\C[C@H]12,"InChI=1/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1",C20H32O5.Na,,,,,,LMHIPJMTZHDKEW-XQYLJSSYSA-M,,,,,,,,,,,
100.057.510,263-281-0,61877-82-5,"6-(2-methoxyethoxy)-6-propyl-2,5,7,10-tetraoxa-6-silaundecane","6-(2-methoxyethoxy)-6-propyl-2,5,7,10-tetraoxa-6-silaundecane",CCC[Si](OCCOC)(OCCOC)OCCOC,CCC[Si](OCCOC)(OCCOC)OCCOC,"InChI=1/C12H28O6Si/c1-5-12-19(16-9-6-13-2,17-10-7-14-3)18-11-8-15-4/h5-12H2,1-4H3",C12H28O6Si,,,,,,SSZBHSXTJWOAJR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.512,263-283-1,61886-18-8,2-chloro-5-nitrobenzenesulphinic acid,2-chloro-5-nitrobenzenesulfinic acid,OS(=O)c1cc(ccc1Cl)[N+](=O)[O-],OS(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C6H4ClNO4S/c7-5-2-1-4(8(9)10)3-6(5)13(11)12/h1-3H,(H,11,12)",C6H4ClNO4S,,,,,,BATQLIHIWSGZNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.513,263-284-7,61886-19-9,"3-[[4-[(4-hydroxyphenyl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonic acid","3-({4-[(4-hydroxyphenyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)benzenesulfonic acid",COc3cc(N=Nc1ccc(O)cc1)c(cc3N=Nc2cccc(c2)S(O)(=O)=O)OC,COc3cc(N=Nc1ccc(O)cc1)c(cc3N=Nc2cccc(c2)S(O)(=O)=O)OC,"InChI=1/C20H18N4O6S/c1-29-19-12-18(24-22-14-4-3-5-16(10-14)31(26,27)28)20(30-2)11-17(19)23-21-13-6-8-15(25)9-7-13/h3-12,25H,1-2H3,(H,26,27,28)",C20H18N4O6S,,,,,,MIXWIPPKIPRDEA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.517,263-288-9,61886-35-9,Ammonium 6-hydroxynaphthalene-2-sulphonate,ammonium 6-hydroxynaphthalene-2-sulfonate,[NH4+].Oc1ccc2cc(ccc2c1)S(=O)(=O)[O-],[NH4+].Oc1ccc2cc(ccc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O4S.H3N/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);1H3",C10H8O4S.H3N,,,,,,CMGVNRYNMUZILC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.519,263-291-5,61886-43-9,"4,7-dichlorobenzo[b]thiophene-3(2H)-one","4,7-dichloro-1-benzothiophen-3(2H)-one",Clc1ccc(Cl)c2C(=O)CSc12,Clc1ccc(Cl)c2C(=O)CSc12,"InChI=1/C8H4Cl2OS/c9-4-1-2-5(10)8-7(4)6(11)3-12-8/h1-2H,3H2",C8H4Cl2OS,,,,,,RXBGQMAHSXLVLU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.030,263-852-4,63095-33-0,(Z)-5-(3-hexenyl)dihydrofuran-2(3H)-one,5-hex-3-en-1-yldihydrofuran-2(3H)-one,CC\\C=C/CCC1CCC(=O)O1,CC\C=C/CCC1CCC(=O)O1,"InChI=1/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3",C10H16O2,,,,,,NKNGVPNCSFZRSM-ARJAWSKDSA-N,,,,,,,,,,,
100.058.037,263-860-8,63105-60-2,"Methyl 2,3-dichloro-6-nitrobenzoate","methyl 2,3-dichloro-6-nitrobenzoate",COC(=O)c1c(Cl)c(Cl)ccc1[N+](=O)[O-],COC(=O)c1c(Cl)c(Cl)ccc1[N+](=O)[O-],"InChI=1/C8H5Cl2NO4/c1-15-8(12)6-5(11(13)14)3-2-4(9)7(6)10/h2-3H,1H3",C8H5Cl2NO4,,,,,,XWTXRZUNNXJKKF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.040,263-863-4,63113-57-5,3-phenylsulphonylbenzenesulphonic acid,3-(phenylsulfonyl)benzenesulfonic acid,OS(=O)(=O)c1cccc(c1)S(=O)(=O)c2ccccc2,OS(=O)(=O)c1cccc(c1)S(=O)(=O)c2ccccc2,"InChI=1/C12H10O5S2/c13-18(14,10-5-2-1-3-6-10)11-7-4-8-12(9-11)19(15,16)17/h1-9H,(H,15,16,17)",C12H10O5S2,,,,,,GHLWVGNAUAHTLR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.044,263-868-1,63123-18-2,"2-[2-(1,2-diphenyl-1H-indol-3-yl)vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium toluene-p-sulphonate","2-[2-(1,2-diphenyl-1H-indol-3-yl)vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridin-1-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].C[N+]2=C(\\C=C\\c3c(c4ccccc4)n(c5ccccc5)c6ccccc36)C(C)(C)c7cccnc27,Cc1ccc(cc1)S(=O)(=O)[O-].C[N+]2=C(\C=C\c3c(c4ccccc4)n(c5ccccc5)c6ccccc36)C(C)(C)c7cccnc27,"InChI=1/C32H28N3.C7H8O3S/c1-32(2)27-18-12-22-33-31(27)34(3)29(32)21-20-26-25-17-10-11-19-28(25)35(24-15-8-5-9-16-24)30(26)23-13-6-4-7-14-23;1-6-2-4-7(5-3-6)11(8,9)10/h4-22H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C32H28N3.C7H7O3S,,,,,,RHYBTAZGAJJDLU-UHFFFAOYSA-M,,,,,,,,,,,
100.058.050,263-874-4,63123-27-3,1-ethyl-2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]quinolinium iodide,"1-ethyl-2-[(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)methyl]quinolinium iodide",[I-].CC[n+]3c4ccccc4ccc3C=C2Oc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=C2Oc1ccccc1N2CC,"InChI=1/C21H21N2O.HI/c1-3-22-17(14-13-16-9-5-6-10-18(16)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C21H21N2O.I,,,,,,IOMLIHYTQVTFGV-UHFFFAOYSA-M,,,,,,,,,,,
100.058.051,263-876-5,63123-28-4,"3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolinium iodide","3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]-2,3-dihydro-1,3-benzoxazol-3-ium iodide",[I-].CC[NH+]1C(Oc2ccccc12)\\C=C\\c3cc(C)n(CC)c3C,[I-].CC[NH+]1C(Oc2ccccc12)\C=C\c3cc(C)n(CC)c3C,"InChI=1/C19H24N2O.HI/c1-5-20-14(3)13-16(15(20)4)11-12-19-21(6-2)17-9-7-8-10-18(17)22-19;/h7-13,19H,5-6H2,1-4H3;1H",C19H23N2O.I,,,,,,JNPGXBMLJPXBHB-CALJPSDSSA-N,,,,,,,,,,,
100.058.052,263-877-0,63123-29-5,"1-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)acetone","1-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)acetone",CC(=O)C=C3Sc2ccc1ccccc1c2N3CC,CC(=O)C=C3Sc2ccc1ccccc1c2N3CC,"InChI=1/C16H15NOS/c1-3-17-15(10-11(2)18)19-14-9-8-12-6-4-5-7-13(12)16(14)17/h4-10H,3H2,1-2H3",C16H15NOS,,,,,,FSYJVXBJEONOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.709,262-400-3,60741-51-7,"2,4-dichloro-6-methyl-3-(1-methylethyl)phenol","2,4-dichloro-3-isopropyl-6-methylphenol",CC(C)c1c(Cl)cc(C)c(O)c1Cl,CC(C)c1c(Cl)cc(C)c(O)c1Cl,"InChI=1/C10H12Cl2O/c1-5(2)8-7(11)4-6(3)10(13)9(8)12/h4-5,13H,1-3H3",C10H12Cl2O,,,,,,ZIFSLTRSCLGLBD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.720,262-412-9,60763-40-8,(E)-1-(1-ethoxyethoxy)hex-3-ene,1-(1-ethoxyethoxy)hex-3-ene,CCOC(C)OCC\\C=C\\CC,CCOC(C)OCC\C=C\CC,"InChI=1/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3",C10H20O2,,,,,,PAEBAEDUARAOSG-VOTSOKGWSA-N,,,,,,,,,,,
100.056.725,262-418-1,60763-76-0,"9-[2-hydroxy-3-[(2-hydroxyethyl)thio]propoxy]-7,11-dioxa-3,15-dithiaheptadecane-1,5,13,17-tetrol","9-{2-hydroxy-3-[(2-hydroxyethyl)sulfanyl]propoxy}-7,11-dioxa-3,15-dithiaheptadecane-1,5,13,17-tetrol",OCCSCC(O)COCC(COCC(O)CSCCO)OCC(O)CSCCO,OCCSCC(O)COCC(COCC(O)CSCCO)OCC(O)CSCCO,"InChI=1/C18H38O9S3/c19-1-4-28-12-15(22)7-25-10-18(27-9-17(24)14-30-6-3-21)11-26-8-16(23)13-29-5-2-20/h15-24H,1-14H2",C18H38O9S3,,,,,,IARJOBRQDRUJBE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.733,262-427-0,60780-06-5,Lithium N-acetyl-L-tryptophanate,lithium 2-acetamido-3-(1H-indol-3-yl)propanoate,[Li+].CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],[Li+].CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],"InChI=1/C13H14N2O3.Li/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1",C13H14N2O3.Li,,,,,,RIZPTOKEAKNELZ-YDALLXLXSA-M,,,,,,,,,,,
100.056.737,262-431-2,60786-69-8,2-(2-pyridylthio)benzothiazole,"2-(pyridin-2-ylsulfanyl)-1,3-benzothiazole",S(c1ccccn1)c2nc3ccccc3s2,S(c1ccccn1)c2nc3ccccc3s2,InChI=1/C12H8N2S2/c1-2-6-10-9(5-1)14-12(15-10)16-11-7-3-4-8-13-11/h1-8H,C12H8N2S2,,,,,,BGAZQFOCUBDLQK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.738,262-432-8,60788-24-1,"3,7-dimethyloctyl ethyl oxalate","3,7-dimethyloctyl ethyl oxalate",CCOC(=O)C(=O)OCCC(C)CCCC(C)C,CCOC(=O)C(=O)OCCC(C)CCCC(C)C,"InChI=1/C14H26O4/c1-5-17-13(15)14(16)18-10-9-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3",C14H26O4,,,,,,CKMYZVFRXOQCPF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.747,262-442-2,60816-64-0,Tetrakis(bis(2-hydroxyethyl)ammonium) ethylenediaminetetraacetate,"tetrakis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.4C4H11NO2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;4*6-3-1-5-2-4-7/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4*5-7H,1-4H2",C10H16N2O8.4C4H11NO2,,,,,,UFQUZYQXHBQGEB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.594,264-473-7,63815-69-0,"1,2-dimethyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium","4-[2,3-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-3,1-benzimidazol-3-ium-1-yl]butane-1-sulfonate",CC1N(CCCCS(=O)(=O)[O-])c2cc(ccc2[NH+]1C)C(F)(F)F,CC1N(CCCCS(=O)(=O)[O-])c2cc(ccc2[NH+]1C)C(F)(F)F,"InChI=1/C14H19F3N2O3S/c1-10-18(2)12-6-5-11(14(15,16)17)9-13(12)19(10)7-3-4-8-23(20,21)22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21,22)",C14H17F3N2O3S,,,,,,NMONNJBGHNHXSU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.598,264-477-9,63815-82-7,"3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-6-methoxy-3H-benzothiazol-2-ylidene]penta-1,3-dienyl]-6-methoxybenzothiazolium bromide","3-(2-hydroxyethyl)-2-{5-[3-(2-hydroxyethyl)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]penta-1,3-dien-1-yl}-6-methoxy-1,3-benzothiazol-3-ium bromide",[Br-].OCC[n+]3c4ccc(OC)cc4sc3C=CC=CC=C2Sc1cc(ccc1N2CCO)OC,[Br-].OCC[n+]3c4ccc(OC)cc4sc3C=CC=CC=C2Sc1cc(ccc1N2CCO)OC,"InChI=1/C25H27N2O4S2.BrH/c1-30-18-8-10-20-22(16-18)32-24(26(20)12-14-28)6-4-3-5-7-25-27(13-15-29)21-11-9-19(31-2)17-23(21)33-25;/h3-11,16-17,28-29H,12-15H2,1-2H3;1H/q+1;/p-1",C25H27N2O4S2.Br,,,,,,YKWBMACHHTUCPG-UHFFFAOYSA-M,,,,,,,,,,,
100.058.605,264-485-2,63816-01-3,3-ethyl-6-methoxy-5-methyl-2-[2-(methylthio)but-1-enyl]benzothiazolium iodide,"3-ethyl-6-methoxy-5-methyl-2-[2-(methylsulfanyl)but-1-en-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].CCC(SC)=Cc2sc1cc(OC)c(C)cc1[n+]2CC,[I-].CCC(SC)=Cc2sc1cc(OC)c(C)cc1[n+]2CC,"InChI=1/C16H22NOS2.HI/c1-6-12(19-5)9-16-17(7-2)13-8-11(3)14(18-4)10-15(13)20-16;/h8-10H,6-7H2,1-5H3;1H/q+1;/p-1",C16H22NOS2.I,,,,,,LMZNVANCBNRMPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.608,264-488-9,63816-07-9,1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium,"3-{2-[(1-benzyl-6-methoxyquinolinium-2-yl)methylene]-1,3-benzoselenazol-3(2H)-yl}propane-1-sulfonate",[O-]S(=O)(=O)CCCN4c5ccccc5[Se]C4=Cc2ccc3cc(OC)ccc3[n+]2Cc1ccccc1,[O-]S(=O)(=O)CCCN4c5ccccc5[Se]C4=Cc2ccc3cc(OC)ccc3[n+]2Cc1ccccc1,"InChI=1/C28H26N2O4SSe/c1-34-24-14-15-25-22(18-24)12-13-23(30(25)20-21-8-3-2-4-9-21)19-28-29(16-7-17-35(31,32)33)26-10-5-6-11-27(26)36-28/h2-6,8-15,18-19H,7,16-17,20H2,1H3",C28H26N2O4SSe,,,,,,JPJKPLMLKCYKKM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.624,264-506-5,63834-87-7,Methylheptane-1-thiol,octane-2-thiol,CCCCCCC(C)S,CCCCCCC(C)S,"InChI=1/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",C8H18S,,,,,,BZXFEMZFRLXGCY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.046,251-767-5,33968-47-7,"Pentadecane-1,2-diol","pentadecane-1,2-diol",CCCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCCC(O)CO,"InChI=1/C15H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16/h15-17H,2-14H2,1H3",C15H32O2,,,,,,FETBCQJCOOEKPM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.564,263-340-0,61931-83-7,"Sodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-{4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-][N+](=O)c3cc(C)cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c3O,[Na+].[O-][N+](=O)c3cc(C)cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c3O,"InChI=1/C17H15N5O7S.Na/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29;/h3-8,15,23H,1-2H3,(H,27,28,29);/q;+1/p-1",C17H15N5O7S.Na,,,,,,OJGQFVLZBNVKPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.570,263-346-3,61949-76-6,"m-phenoxybenzyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,"InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",C21H20Cl2O3,,,,,,RLLPVAHGXHCWKJ-UHFFFAOYSA-N,Positive,EQ307401|EQ307402|EQ307403|EQ307404|EQ307405|EQ307406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,149.0233:167.0338:71.0854|149.0234:71.0855:167.0339|149.0234:71.0855:57.0699|149.0234:71.0855:57.0699|149.0234:121.0284:65.0386|149.0234:121.0284:65.0386,Eawag,,,,,
100.057.571,263-347-9,61949-77-7,"m-phenoxybenzyl trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,"InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",C21H20Cl2O3,,,,,,RLLPVAHGXHCWKJ-UHFFFAOYSA-N,Positive,EQ307401|EQ307402|EQ307403|EQ307404|EQ307405|EQ307406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,149.0233:167.0338:71.0854|149.0234:71.0855:167.0339|149.0234:71.0855:57.0699|149.0234:71.0855:57.0699|149.0234:121.0284:65.0386|149.0234:121.0284:65.0386,Eawag,,,,,
100.057.576,263-353-1,61951-98-2,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[5-methoxy-2-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide","3-hydroxy-4-{[5-methoxy-2-methyl-4-(methylsulfamoyl)phenyl]diazenyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",CNS(=O)(=O)c1cc(C)c(cc1OC)N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3,CNS(=O)(=O)c1cc(C)c(cc1OC)N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3,"InChI=1/C27H24N6O6S/c1-14-10-23(40(37,38)28-2)22(39-3)13-20(14)32-33-24-17-7-5-4-6-15(17)11-18(25(24)34)26(35)29-16-8-9-19-21(12-16)31-27(36)30-19/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)",C27H24N6O6S,,,,,,FQVVGIYUIPHSRR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.584,263-362-0,61993-95-1,2-[(2-ethylhexyl)amino]ethanol,2-[(2-ethylhexyl)amino]ethanol,CCCCC(CC)CNCCO,CCCCC(CC)CNCCO,"InChI=1/C10H23NO/c1-3-5-6-10(4-2)9-11-7-8-12/h10-12H,3-9H2,1-2H3",C10H23NO,,,,,,MJROZKLSHJICLS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.108,263-939-7,63148-87-8,5-chloro-2-[2-[(5-chloro-3-ethyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium,"3-(5-chloro-2-{2-[(5-chloro-3-ethyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(Cl)ccc4oc3C=C(CC)C=C2Oc1ccc(Cl)cc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4cc(Cl)ccc4oc3C=C(CC)C=C2Oc1ccc(Cl)cc1N2CC,"InChI=1/C24H24Cl2N2O5S/c1-3-16(12-23-27(4-2)19-14-17(25)6-8-21(19)32-23)13-24-28(10-5-11-34(29,30)31)20-15-18(26)7-9-22(20)33-24/h6-9,12-15H,3-5,10-11H2,1-2H3",C24H24Cl2N2O5S,,,,,,XTSMIHWGFVIPIR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.111,263-942-3,63148-90-3,"Hydrogen 5-chloro-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)","hydrogen 4-[2-(2-{[5-chloro-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylene}butylidene)-5-phenyl-1,3-benzoxazol-3(2H)-yl]butane-2-sulfonate N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]4c5cc(Cl)ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCC(C)S([O-])(=O)=O)c3ccccc3,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]4c5cc(Cl)ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCC(C)S([O-])(=O)=O)c3ccccc3,"InChI=1/C32H33ClN2O8S2.C6H15N.H2/c1-3-23(18-31-34(15-7-17-44(36,37)38)28-21-26(33)11-13-30(28)43-31)19-32-35(16-14-22(2)45(39,40)41)27-20-25(10-12-29(27)42-32)24-8-5-4-6-9-24;1-4-7(5-2)6-3;/h4-6,8-13,18-22H,3,7,14-17H2,1-2H3,(H-,36,37,38,39,40,41);4-6H2,1-3H3;1H/q;;+1/p-1",C32H33ClN2O8S2.C6H15N,,,,,,FWPQPRLLYITZGV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.114,263-946-5,63148-97-0,"Hydrogen 5-methoxy-2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)","hydrogen 3-[5-methoxy-2-{[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4cc(OC)ccc4sc3C=C2Sc1ccc(cc1N2CCCS([O-])(=O)=O)OC,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4cc(OC)ccc4sc3C=C2Sc1ccc(cc1N2CCCS([O-])(=O)=O)OC,"InChI=1/C23H26N2O8S4.C6H15N.H2/c1-32-16-5-7-20-18(13-16)24(9-3-11-36(26,27)28)22(34-20)15-23-25(10-4-12-37(29,30)31)19-14-17(33-2)6-8-21(19)35-23;1-4-7(5-2)6-3;/h5-8,13-15H,3-4,9-12H2,1-2H3,(H-,26,27,28,29,30,31);4-6H2,1-3H3;1H/q;;+1/p-1",C23H26N2O8S4.C6H15N,,,,,,XGDLAZBMOHDWKV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.115,263-947-0,63148-98-1,2-(2-ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatobutyl)benzoxazolium,"4-[2-(2-ethoxybut-1-en-1-yl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]butane-2-sulfonate",[O-]S(=O)(=O)C(C)CC[n+]1c2cc(ccc2oc1C=C(CC)OCC)c3ccccc3,[O-]S(=O)(=O)C(C)CC[n+]1c2cc(ccc2oc1C=C(CC)OCC)c3ccccc3,"InChI=1/C23H27NO5S/c1-4-20(28-5-2)16-23-24(14-13-17(3)30(25,26)27)21-15-19(11-12-22(21)29-23)18-9-7-6-8-10-18/h6-12,15-17H,4-5,13-14H2,1-3H3",C23H27NO5S,,,,,,MELDWZHRDNMCFT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.909,261-520-3,58957-60-1,"(R*,S*)-(±)-dihydro-5-(1-hydroxyethyl)-3H-furan-2-one",5-(1-hydroxyethyl)dihydrofuran-2(3H)-one,CC(O)C1CCC(=O)O1,CC(O)C1CCC(=O)O1,"InChI=1/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h4-5,7H,2-3H2,1H3",C6H10O3,,,,,,KBLZKAKKJPDYKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.915,261-527-1,58966-08-8,(Z)-ß-methoxy-a-methylstyrene,(2-methoxy-1-methylvinyl)benzene,CO\\C=C(\\C)/c1ccccc1,CO\C=C(\C)/c1ccccc1,"InChI=1/C10H12O/c1-9(8-11-2)10-6-4-3-5-7-10/h3-8H,1-2H3",C10H12O,,,,,,ULUXLULNGFEVHJ-HJWRWDBZSA-N,,,,,,,,,,,
100.055.922,261-535-5,58978-10-2,"1,1'-[methylenebis(2-ethyl-4,1-phenylene)]bis-1H-pyrrole-2,5-dione","1,1'-[methylenebis(2-ethyl-4,1-phenylene)]bis(1H-pyrrole-2,5-dione)",CCc1cc(Cc2ccc(N3C(=O)C=CC3=O)c(CC)c2)ccc1N4C(=O)C=CC4=O,CCc1cc(Cc2ccc(N3C(=O)C=CC3=O)c(CC)c2)ccc1N4C(=O)C=CC4=O,"InChI=1/C25H22N2O4/c1-3-18-14-16(5-7-20(18)26-22(28)9-10-23(26)29)13-17-6-8-21(19(4-2)15-17)27-24(30)11-12-25(27)31/h5-12,14-15H,3-4,13H2,1-2H3",C25H22N2O4,,,,,,MZXBGQAYUVYKAL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.925,261-538-1,58978-43-1,"Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate","3,4-bis{[(2-ethylhexyl)oxy]carbonyl}benzoic acid",CCCCC(CC)COC(=O)c1ccc(cc1C(=O)OCC(CC)CCCC)C(=O)O,CCCCC(CC)COC(=O)c1ccc(cc1C(=O)OCC(CC)CCCC)C(=O)O,"InChI=1/C25H38O6/c1-5-9-11-18(7-3)16-30-24(28)21-14-13-20(23(26)27)15-22(21)25(29)31-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3,(H,26,27)",C25H38O6,,,,,,UVGGJHWAFDJNPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.938,261-552-8,59004-18-1,3-(trimethoxysilyl)propyl acetate,3-(trimethoxysilyl)propyl acetate,CO[Si](CCCOC(=O)C)(OC)OC,CO[Si](CCCOC(=O)C)(OC)OC,"InChI=1/C8H18O5Si/c1-8(9)13-6-5-7-14(10-2,11-3)12-4/h5-7H2,1-4H3",C8H18O5Si,,,,,,FZTPAOAMKBXNSH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.941,261-555-4,59009-93-7,Carburazepam,"7-chloro-1-methyl-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxamide",CN1C(=O)CN(C(c2ccccc2)c3cc(Cl)ccc13)C(=O)N,CN1C(=O)CN(C(c2ccccc2)c3cc(Cl)ccc13)C(=O)N,"InChI=1/C17H16ClN3O2/c1-20-14-8-7-12(18)9-13(14)16(11-5-3-2-4-6-11)21(17(19)23)10-15(20)22/h2-9,16H,10H2,1H3,(H2,19,23)",C17H16ClN3O2,,,,,,HFFJORVBQWPILU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.943,261-558-0,59012-57-6,"2,6-dihydroxy-N-(2-hydroxyethyl)benzamide","2,6-dihydroxy-N-(2-hydroxyethyl)benzamide",OCCNC(=O)c1c(O)cccc1O,OCCNC(=O)c1c(O)cccc1O,"InChI=1/C9H11NO4/c11-5-4-10-9(14)8-6(12)2-1-3-7(8)13/h1-3,11-13H,4-5H2,(H,10,14)",C9H11NO4,,,,,,CTNJTLPTCMTOSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.947,261-562-2,59020-85-8,S-furfuryl propanethioate,S-(2-furylmethyl) propanethioate,CCC(=O)SCc1occc1,CCC(=O)SCc1occc1,"InChI=1/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3",C8H10O2S,,,,,,JNVPDFNCAUOOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.468,262-134-8,60270-33-9,N-[3-(dimethylamino)propyl]docosanamide,N-[3-(dimethylamino)propyl]docosanamide,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1/C27H56N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h4-26H2,1-3H3,(H,28,30)",C27H56N2O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16782,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.468,MNAZHGAWPCLLGX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.469,262-135-3,60270-55-5,"Potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonate","potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate",[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7HF15O3S.K/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;/h(H,23,24,25);/q;+1/p-1",C7HF15O3S.K,,,,,,LBAKROCDOXEWPV-UHFFFAOYSA-M,,,,,,,,,,,
100.056.475,262-142-1,60278-95-7,"3-(butylamino)propane-1,2-diol","3-(butylamino)propane-1,2-diol",CCCCNCC(O)CO,CCCCNCC(O)CO,"InChI=1/C7H17NO2/c1-2-3-4-8-5-7(10)6-9/h7-10H,2-6H2,1H3",C7H17NO2,,,,,,LWIPMLPWRZUQQH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.477,262-144-2,60278-98-0,"3-(N-benzyl-N-methylamino)propane-1,2-diol","3-[benzyl(methyl)amino]propane-1,2-diol",CN(CC(O)CO)Cc1ccccc1,CN(CC(O)CO)Cc1ccccc1,"InChI=1/C11H17NO2/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10/h2-6,11,13-14H,7-9H2,1H3",C11H17NO2,,,,,,HGPHYOVGIFFHJB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.478,262-145-8,60282-87-3,Gestodene,"13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C,"InChI=1/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3",C21H26O2,,,,,,SIGSPDASOTUPFS-XUDSTZEESA-N,,,,,,,,,,,
100.056.479,262-146-3,60285-85-0,"4-amino-6-(trichlorovinyl)benzene-1,3-disulphonyl dichloride","4-amino-6-(trichlorovinyl)benzene-1,3-disulfonyl dichloride",Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)Cl)S(=O)(=O)Cl,Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)Cl)S(=O)(=O)Cl,"InChI=1/C8H4Cl5NO4S2/c9-7(8(10)11)3-1-4(14)6(20(13,17)18)2-5(3)19(12,15)16/h1-2H,14H2",C8H4Cl5NO4S2,,,,,,YQBCCKGOIWMSDK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.485,262-153-1,60304-36-1,Aluminum potassium fluoride,-,[F-].[Al+3].[K+],[F-].[Al+3].[K+],InChI=1/Al.FH.K/h;1H;/q+3;;+1/p-1,-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15284,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.485,YPYRDLOVFOAQIR-UHFFFAOYSA-M,,,,,,,,,,,
100.058.055,263-880-7,63123-36-4,3-(3-hydroxypropyl)-2-[3-[3-(3-hydroxypropyl)-5-methoxy-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-5-methoxybenzothiazolium iodide,"3-(3-hydroxypropyl)-2-{3-[3-(3-hydroxypropyl)-5-methoxy-1,3-benzothiazol-2(3H)-ylidene]-2-methylprop-1-en-1-yl}-5-methoxy-1,3-benzothiazol-3-ium iodide",[I-].OCCC[n+]3c4cc(OC)ccc4sc3C=C(C)C=C2Sc1ccc(cc1N2CCCO)OC,[I-].OCCC[n+]3c4cc(OC)ccc4sc3C=C(C)C=C2Sc1ccc(cc1N2CCCO)OC,"InChI=1/C26H31N2O4S2.HI/c1-18(14-25-27(10-4-12-29)21-16-19(31-2)6-8-23(21)33-25)15-26-28(11-5-13-30)22-17-20(32-3)7-9-24(22)34-26;/h6-9,14-17,29-30H,4-5,10-13H2,1-3H3;1H/q+1;/p-1",C26H31N2O4S2.I,,,,,,FQPTWMOIDJRKIA-UHFFFAOYSA-M,,,,,,,,,,,
100.058.059,263-884-9,63123-42-2,1-methoxy-4-phenylpyridinium tetrafluoroborate,1-methoxy-4-phenylpyridinium tetrafluoroborate,CO[n+]1ccc(cc1)c2ccccc2.F[B-](F)(F)F,CO[n+]1ccc(cc1)c2ccccc2.F[B-](F)(F)F,"InChI=1/C12H12NO.BF4/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;2-1(3,4)5/h2-10H,1H3;/q+1;-1",C12H12NO.BF4,,,,,,MAORPXVTJYMPHC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.064,263-890-1,63133-73-3,"N-[3-[(2,3-dihydroxypropyl)amino]-4-methoxyphenyl]acetamide","N-{3-[(2,3-dihydroxypropyl)amino]-4-methoxyphenyl}acetamide",COc1ccc(NC(=O)C)cc1NCC(O)CO,COc1ccc(NC(=O)C)cc1NCC(O)CO,"InChI=1/C12H18N2O4/c1-8(16)14-9-3-4-12(18-2)11(5-9)13-6-10(17)7-15/h3-5,10,13,15,17H,6-7H2,1-2H3,(H,14,16)",C12H18N2O4,,,,,,NOZUFNYPCCFIKF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.424,265-386-7,65086-93-3,Methyl N-[5-(acetylamino)-2-methoxyphenyl]-ß-alaninate,methyl N-(5-acetamido-2-methoxyphenyl)-beta-alaninate,COC(=O)CCNc1cc(NC(=O)C)ccc1OC,COC(=O)CCNc1cc(NC(=O)C)ccc1OC,"InChI=1/C13H18N2O4/c1-9(16)15-10-4-5-12(18-2)11(8-10)14-7-6-13(17)19-3/h4-5,8,14H,6-7H2,1-3H3,(H,15,16)",C13H18N2O4,,,,,,QYWBJEGBJDVLMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.426,265-388-8,65086-97-7,"3-(tert-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione, sodium salt",-,[Na+].CC1=CC(=O)N(C(=O)N1)C(C)(C)C,[Na+].CC1=CC(=O)N(C(=O)N1)C(C)(C)C,"InChI=1/C9H14N2O2.Na/c1-6-5-7(12)11(8(13)10-6)9(2,3)4;/h5H,1-4H3,(H,10,13);/q;+1",C9H14N2O2.Na,,,,,,BTCXXVGZPUQJBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.428,265-390-9,65087-00-5,"2,4-bis[(4-dodecylphenyl)azo]resorcinol","2,4-bis[(4-dodecylphenyl)diazenyl]benzene-1,3-diol",Oc2c(ccc(O)c2N=Nc1ccc(CCCCCCCCCCCC)cc1)N=Nc3ccc(CCCCCCCCCCCC)cc3,Oc2c(ccc(O)c2N=Nc1ccc(CCCCCCCCCCCC)cc1)N=Nc3ccc(CCCCCCCCCCCC)cc3,"InChI=1/C42H62N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-29-37(30-26-35)43-45-39-33-34-40(47)41(42(39)48)46-44-38-31-27-36(28-32-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34,47-48H,3-24H2,1-2H3",C42H62N4O2,,,,,,QHQNDQMXODMQBX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.440,265-403-8,65087-20-9,Cyclohexyldiethylammonium sulphate (2:1),"bis(N,N-diethylcyclohexanaminium) sulfate",CC[NH+](CC)C1CCCCC1.CC[NH+](CC)C2CCCCC2.[O-]S(=O)(=O)[O-],CC[NH+](CC)C1CCCCC1.CC[NH+](CC)C2CCCCC2.[O-]S(=O)(=O)[O-],"InChI=1/2C10H21N.H2O4S/c2*1-3-11(4-2)10-8-6-5-7-9-10;1-5(2,3)4/h2*10H,3-9H2,1-2H3;(H2,1,2,3,4)",C10H21N.1/2H2O4S,,,,,,BGBIUUBEZRRSNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.453,265-417-4,65104-36-1,"N-dodecyl-ß-alanine, compound with 2,2'-iminodiethanol (1:1)","N-dodecyl-beta-alanine - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCNCCC(=O)O.OCCNCCO,CCCCCCCCCCCCNCCC(=O)O.OCCNCCO,"InChI=1/C15H31NO2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;6-3-1-5-2-4-7/h16H,2-14H2,1H3,(H,17,18);5-7H,1-4H2",C15H31NO2.C4H11NO2,,,,,,HGFBWHAXMMRQOA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.454,265-419-5,65104-37-2,"Dodecyl dihydrogen phosphate, compound with morpholine (1:2)",dodecyl dihydrogen phosphate - morpholine (1:2),CCCCCCCCCCCCOP(=O)(O)O.C1COCCN1.C2COCCN2,CCCCCCCCCCCCOP(=O)(O)O.C1COCCN1.C2COCCN2,"InChI=1/C12H27O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2*1-3-6-4-2-5-1/h2-12H2,1H3,(H2,13,14,15);2*5H,1-4H2",C12H27O4P.2C4H9NO,,,,,,PFOQWLSYLMFIQG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.226,267-370-5,67846-56-4,3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium chloride,3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium chloride,[Cl-].COc1cc2nc3ccc(cc3[o+]c2cc1N)N(C)C,[Cl-].COc1cc2nc3ccc(cc3[o+]c2cc1N)N(C)C,"InChI=1/C15H16N3O2.ClH/c1-18(2)9-4-5-11-14(6-9)20-15-7-10(16)13(19-3)8-12(15)17-11;/h4-8H,16H2,1-3H3;1H/q+1;/p-1",C15H16N3O2.Cl,,,,,,IQWZDDMJNAILMK-UHFFFAOYSA-M,,,,,,,,,,,
100.061.229,267-373-1,67846-59-7,"2,5-dimethoxy-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenediazonium chloride monohydrochloride","2,5-dimethoxy-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenediazonium chloride hydrochloride",[Cl-].Cl.COc2cc([N+]#N)c(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)OC,[Cl-].Cl.COc2cc([N+]#N)c(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)OC,"InChI=1/C18H17N5O4.2ClH/c1-11(24)17(18(25)20-12-7-5-4-6-8-12)23-22-14-10-15(26-2)13(21-19)9-16(14)27-3;;/h4-10,17H,1-3H3;2*1H",C18H18N5O4.ClH.Cl,,,,,,BMBZQBZJZSCXNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.232,267-376-8,67846-63-3,"Tetrahydro-1,3,4,6-tetrakis[(2-hydroxyethoxy)methyl]imidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,4,6-tetrakis[(2-hydroxyethoxy)methyl]tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",OCCOCN1C2C(N(COCCO)C(=O)N2COCCO)N(COCCO)C1=O,OCCOCN1C2C(N(COCCO)C(=O)N2COCCO)N(COCCO)C1=O,"InChI=1/C16H30N4O10/c21-1-5-27-9-17-13-14(19(15(17)25)11-29-7-3-23)20(12-30-8-4-24)16(26)18(13)10-28-6-2-22/h13-14,21-24H,1-12H2",C16H30N4O10,,,,,,NKPQXGFVCNENAF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.047,251-768-0,33970-43-3,Acetyl-sec-heptylsulphonyl peroxide,acetyl heptane-2-sulfonoperoxoate,CCCCCC(C)S(=O)(=O)OOC(=O)C,CCCCCC(C)S(=O)(=O)OOC(=O)C,"InChI=1/C9H18O5S/c1-4-5-6-7-8(2)15(11,12)14-13-9(3)10/h8H,4-7H2,1-3H3",C9H18O5S,,,,,,WRUWUYLNUMCQJL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.050,251-771-7,33976-39-5,"1,2-bis(ethylsulphonyl)ethane","1,2-bis(ethylsulfonyl)ethane",CCS(=O)(=O)CCS(=O)(=O)CC,CCS(=O)(=O)CCS(=O)(=O)CC,"InChI=1/C6H14O4S2/c1-3-11(7,8)5-6-12(9,10)4-2/h3-6H2,1-2H3",C6H14O4S2,,,,,,JCKAPFIQSHKDSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.052,251-773-8,33979-03-2,"2,2',4,4',6,6'-hexachlorobiphenyl","2,2',4,4',6,6'-hexachlorobiphenyl",Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl,Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl,InChI=1/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H,C12H4Cl6,,,,,,ICOAEPDGFWLUTI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.053,251-774-3,33981-19-0,"4-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",CN(C)c1ccc(cc1)C=C3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,CN(C)c1ccc(cc1)C=C3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,"InChI=1/C19H19N3O4S/c1-13-18(12-14-4-6-15(7-5-14)21(2)3)19(23)22(20-13)16-8-10-17(11-9-16)27(24,25)26/h4-12H,1-3H3,(H,24,25,26)",C19H19N3O4S,,,,,,VRZMESZQDKLNTR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.057,251-779-0,33996-30-4,Ethyl trans-4-hydroxy-L-prolinate hydrochloride,ethyl 4-hydroxy-L-prolinate hydrochloride,Cl.CCOC(=O)[C@@H]1CC(O)CN1,Cl.CCOC(=O)[C@@H]1CC(O)CN1,"InChI=1/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H",C7H13NO3.ClH,,,,,,HHXSZDXMSRXWJV-PQAGPIFVSA-N,,,,,,,,,,,
100.047.066,251-789-5,34009-61-5,Diethyl methyl(phenyl)malonate,diethyl methyl(phenyl)malonate,CCOC(=O)C(C)(C(=O)OCC)c1ccccc1,CCOC(=O)C(C)(C(=O)OCC)c1ccccc1,"InChI=1/C14H18O4/c1-4-17-12(15)14(3,13(16)18-5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3",C14H18O4,,,,,,KGUIOHXCGVQYEG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.070,251-793-7,34014-18-1,Tebuthiuron,"1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea",CNC(=O)N(C)c1nnc(s1)C(C)(C)C,CNC(=O)N(C)c1nnc(s1)C(C)(C)C,"InChI=1/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)",C9H16N4OS,,,,,,HBPDKDSFLXWOAE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.072,251-795-8,34017-39-5,"4-(m-aminoanilino)-2,5,6-trichloropyrimidine","N-(2,5,6-trichloropyrimidin-4-yl)benzene-1,3-diamine",Nc1cccc(Nc2nc(Cl)nc(Cl)c2Cl)c1,Nc1cccc(Nc2nc(Cl)nc(Cl)c2Cl)c1,"InChI=1/C10H7Cl3N4/c11-7-8(12)16-10(13)17-9(7)15-6-3-1-2-5(14)4-6/h1-4H,14H2,(H,15,16,17)",C10H7Cl3N4,,,,,,WWKJYYDDDTUYMI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.075,251-798-4,34026-01-2,"2,2,6-trimethylcyclohexanemethanol","(2,2,6-trimethylcyclohexyl)methanol",CC1CCCC(C)(C)C1CO,CC1CCCC(C)(C)C1CO,"InChI=1/C10H20O/c1-8-5-4-6-10(2,3)9(8)7-11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,WIYBEAHUAVVOHR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.077,251-801-9,34031-32-8,Auranofin,"[6-(sulfanyl-kappaS)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetatato](triethylphosphoranyl)gold(1+) (non-preferred name)",CCP(CC)(CC)[Au]S[C@@H]1O[C@H](OC(=O)C)C(OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C,CCP(CC)(CC)[Au]S[C@@H]1O[C@H](OC(=O)C)C(OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C,"InChI=1/C13H18O9S.C6H15P.Au/c1-5(14)18-9-10(19-6(2)15)12(21-8(4)17)22-13(23)11(9)20-7(3)16;1-4-7(5-2)6-3;/h9-13,23H,1-4H3;4-6H2,1-3H3;/q;;+1/rC19H33AuO9PS/c1-8-30(9-2,10-3)20-31-19-17(27-13(6)23)15(25-11(4)21)16(26-12(5)22)18(29-19)28-14(7)24/h15-19,30H,8-10H2,1-7H3/q+1",C20H34AuO9PS,,,,,,JCUNAWURTWIACY-YHEXQHTOSA-N,,,,,,,,,,,
100.047.078,251-802-4,34036-16-3,Ethyl 5-methyl-3-oxohexanoate,ethyl 5-methyl-3-oxohexanoate,CCOC(=O)CC(=O)CC(C)C,CCOC(=O)CC(=O)CC(C)C,"InChI=1/C9H16O3/c1-4-12-9(11)6-8(10)5-7(2)3/h7H,4-6H2,1-3H3",C9H16O3,,,,,,FNVGQABNHXEIBU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.080,251-805-0,34040-62-5,Methyl 2-chloromethylbenzoate,methyl 2-(chloromethyl)benzoate,COC(=O)c1ccccc1CCl,COC(=O)c1ccccc1CCl,"InChI=1/C9H9ClO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6H2,1H3",C9H9ClO2,,,,,,AAHZCIWUDPKSJP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.086,251-811-3,34052-37-4,2-chloro-5-nitrobenzophenone,(2-chloro-5-nitrophenyl)(phenyl)methanone,[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)c2ccccc2,[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)c2ccccc2,InChI=1/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,C13H8ClNO3,,,,,,HRPHZUAPQWJPCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.091,251-817-6,34069-88-0,Strontium dipicrate,"strontium bis(2,4,6-trinitrophenolate)",[Sr+2].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Sr+2].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/2C6H3N3O7.Sr/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+2/p-2",C6H3N3O7.1/2Sr,,,,,,JWDCIZFRVVHBJE-UHFFFAOYSA-L,,,,,,,,,,,
100.058.122,263-954-9,63149-06-4,4-(phenylthio)-1-(4-sulphonatobutyl)pyridinium,4-[4-(phenylsulfanyl)pyridinium-1-yl]butane-1-sulfonate,[O-]S(=O)(=O)CCCC[n+]1ccc(Sc2ccccc2)cc1,[O-]S(=O)(=O)CCCC[n+]1ccc(Sc2ccccc2)cc1,"InChI=1/C15H17NO3S2/c17-21(18,19)13-5-4-10-16-11-8-15(9-12-16)20-14-6-2-1-3-7-14/h1-3,6-9,11-12H,4-5,10,13H2",C15H17NO3S2,,,,,,QZNKYTVDANPFQE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.123,263-955-4,63149-07-5,"1,3-di-2-furyl-2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)propane-1,3-dione","1,3-di-2-furyl-2-(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)propane-1,3-dione",CN1C(=C(C(=O)c2occc2)C(=O)c3occc3)Sc4ccc5ccccc5c14,CN1C(=C(C(=O)c2occc2)C(=O)c3occc3)Sc4ccc5ccccc5c14,"InChI=1/C23H15NO4S/c1-24-20-15-7-3-2-6-14(15)10-11-18(20)29-23(24)19(21(25)16-8-4-12-27-16)22(26)17-9-5-13-28-17/h2-13H,1H3",C23H15NO4S,,,,,,SGMODQNVAQABMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.124,263-957-5,63149-10-0,"Ethyl 6-[(4-chloro-2-sulphophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate","5-chloro-2-{[1-(ethoxycarbonyl)-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl]amino}benzenesulfonic acid",CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Nc5ccc(Cl)cc5S(=O)(=O)O)ccc(N(C)C1=O)c24,CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Nc5ccc(Cl)cc5S(=O)(=O)O)ccc(N(C)C1=O)c24,"InChI=1/C26H19ClN2O7S/c1-3-36-26(32)23-20-14-6-4-5-7-15(14)24(30)21-17(10-11-18(22(20)21)29(2)25(23)31)28-16-9-8-13(27)12-19(16)37(33,34)35/h4-12,28H,3H2,1-2H3,(H,33,34,35)",C26H19ClN2O7S,,,,,,XAVDJYWQEBDPNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.750,265-744-2,65405-76-7,(Z)-hex-3-enyl anthranilate,hex-3-en-1-yl 2-aminobenzoate,CC\\C=C/CCOC(=O)c1ccccc1N,CC\C=C/CCOC(=O)c1ccccc1N,"InChI=1/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3",C13H17NO2,,,,,,VZWCCPAVZNSCEO-ARJAWSKDSA-N,,,,,,,,,,,
100.059.751,265-745-8,65405-77-8,(Z)-3-hexenyl salicylate,hex-3-en-1-yl salicylate,CC\\C=C/CCOC(=O)c1ccccc1O,CC\C=C/CCOC(=O)c1ccccc1O,"InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3",C13H16O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12174,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.751,IEPWIPZLLIOZLU-ARJAWSKDSA-N,,,,,,,,,,,
100.060.630,266-713-6,67538-57-2,Isopropyl hydrogen methylphosphonite,isopropyl hydrogen methylphosphonite,CC(C)OP(C)O,CC(C)OP(C)O,"InChI=1/C4H11O2P/c1-4(2)6-7(3)5/h4-5H,1-3H3",C4H11O2P,,,,,,YIZNYMADIRZRAL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.636,266-719-9,67564-91-4,"cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine","4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine",CC(CN1C[C@@H](C)O[C@@H](C)C1)Cc2ccc(cc2)C(C)(C)C,CC(CN1C[C@@H](C)O[C@@H](C)C1)Cc2ccc(cc2)C(C)(C)C,"InChI=1/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3",C20H33NO,,,,,,RYAUSSKQMZRMAI-ALOPSCKCSA-N,,,,,,,,,,,
100.060.638,266-722-5,67583-77-1,"3-ethoxy-1,1,5-trimethylcyclohexane","3-ethoxy-1,1,5-trimethylcyclohexane",CCOC1CC(C)CC(C)(C)C1,CCOC1CC(C)CC(C)(C)C1,"InChI=1/C11H22O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h9-10H,5-8H2,1-4H3",C11H22O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18903,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.638,JVBNHJDWWBSWLE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.645,266-729-3,67584-52-5,Potassium N-ethyl-N-[(undecafluoropentyl)sulphonyl]glycinate,potassium {ethyl[(undecafluoropentyl)sulfonyl]amino}acetate,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H8F11NO4S.K/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18;/h2-3H2,1H3,(H,22,23);/q;+1/p-1",C9H8F11NO4S.K,,,,,,VJZIVFKBUDETNE-UHFFFAOYSA-M,,,,,,,,,,,
100.060.646,266-730-9,67584-53-6,Potassium N-ethyl-N-[(tridecafluorohexyl)sulphonyl]glycinate,potassium {ethyl[(tridecafluorohexyl)sulfonyl]amino}acetate,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H8F13NO4S.K/c1-2-24(3-4(25)26)29(27,28)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21;/h2-3H2,1H3,(H,25,26);/q;+1/p-1",C10H8F13NO4S.K,,,,,,GHBVIRCBEGOCEH-UHFFFAOYSA-M,,,,,,,,,,,
100.060.649,266-734-0,67584-56-9,2-[methyl[(undecafluoropentyl)sulphonyl]amino]ethyl acrylate,2-{methyl[(undecafluoropentyl)sulfonyl]amino}ethyl acrylate,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H10F11NO4S/c1-3-6(24)27-5-4-23(2)28(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h3H,1,4-5H2,2H3",C11H10F11NO4S,,,,,,FZWFDJBZTLTRGH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.658,266-744-5,67589-39-3,4-ethoxyphenyl trans-4-propylcyclohexanecarboxylate,4-ethoxyphenyl 4-propylcyclohexanecarboxylate,CCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(OCC)cc2,CCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(OCC)cc2,"InChI=1/C18H26O3/c1-3-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(11-13-17)20-4-2/h10-15H,3-9H2,1-2H3",C18H26O3,,,,,,DCCOHKNJQHHEHV-SHTZXODSSA-N,,,,,,,,,,,
100.060.663,266-749-2,67592-36-3,[2-(3-cyclohexen-1-yl)ethyl]trimethoxysilane,(2-cyclohex-3-en-1-ylethyl)(trimethoxy)silane,CO[Si](CCC1CCC=CC1)(OC)OC,CO[Si](CCC1CCC=CC1)(OC)OC,"InChI=1/C11H22O3Si/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11/h4-5,11H,6-10H2,1-3H3",C11H22O3Si,,,,,,LJNFZEBTNPLCMG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.487,262-155-2,60308-75-0,(Z)-4-ethyl-oct-2-enoic acid,4-ethyloct-2-enoic acid,CCCCC(CC)\\C=C/C(=O)O,CCCCC(CC)\C=C/C(=O)O,"InChI=1/C10H18O2/c1-3-5-6-9(4-2)7-8-10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)",C10H18O2,,,,,,RTSYTZNKRVDRRT-FPLPWBNLSA-N,,,,,,,,,,,
100.056.491,262-159-4,60311-02-6,"Hydrogen 9-(2,4-disulphonatophenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium","4-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-18-ium-9-yl)benzene-1,3-disulfonate",[O-]S(=O)(=O)c1ccc(c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78)c(c1)S(=O)(=O)[O-],[O-]S(=O)(=O)c1ccc(c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78)c(c1)S(=O)(=O)[O-],"InChI=1/C31H30N2O7S2/c34-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-32-13-3-7-22(28(18)32)30(24)40-31-23-8-4-14-33-12-2-6-19(29(23)33)16-25(27)31/h9-10,15-17H,1-8,11-14H2,(H-,34,35,36,37,38,39)/p-1",C31H30N2O7S2,,,,,,NTLIOARCCUUOAV-UHFFFAOYSA-L,,,,,,,,,,,
100.056.493,262-162-0,60313-01-1,"3-(4'-bromo[1,1'-biphenyl]-4-yl)-3,4-dihydronaphthalen-1(2H)-one","3-(4'-bromobiphenyl-4-yl)-3,4-dihydronaphthalen-1(2H)-one",Brc1ccc(cc1)c2ccc(cc2)C3CC(=O)c4ccccc4C3,Brc1ccc(cc1)c2ccc(cc2)C3CC(=O)c4ccccc4C3,"InChI=1/C22H17BrO/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19H,13-14H2",C22H17BrO,,,,,,ZBXFXJMMCQYFJR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.495,262-164-1,60313-31-7,"4-bromo-4'-(1-bromo-2-phenylethyl)-1,1'-biphenyl",4-bromo-4'-(1-bromo-2-phenylethyl)biphenyl,BrC(Cc1ccccc1)c2ccc(cc2)c3ccc(Br)cc3,BrC(Cc1ccccc1)c2ccc(cc2)c3ccc(Br)cc3,"InChI=1/C20H16Br2/c21-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(22)14-15-4-2-1-3-5-15/h1-13,20H,14H2",C20H16Br2,,,,,,SGBOLLXQHLREDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.496,262-165-7,60313-47-5,"[1-(4'-bromo[1,1'-biphenyl]-4-yl)-2-phenylethyl]malonic acid",[1-(4'-bromobiphenyl-4-yl)-2-phenylethyl]malonic acid,OC(=O)C(C(Cc1ccccc1)c2ccc(cc2)c3ccc(Br)cc3)C(=O)O,OC(=O)C(C(Cc1ccccc1)c2ccc(cc2)c3ccc(Br)cc3)C(=O)O,"InChI=1/C23H19BrO4/c24-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(21(22(25)26)23(27)28)14-15-4-2-1-3-5-15/h1-13,20-21H,14H2,(H,25,26)(H,27,28)",C23H19BrO4,,,,,,KLBROPDJXHQYCC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.129,263-962-2,63149-25-7,2-methyl-3-(3-sulphonatobutyl)benzoselenazolium,"4-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-2-sulfonate",CC(CC[N+]1=C(C)[Se]c2ccccc12)S(=O)(=O)[O-],CC(CC[N+]1=C(C)[Se]c2ccccc12)S(=O)(=O)[O-],"InChI=1/C12H15NO3SSe/c1-9(17(14,15)16)7-8-13-10(2)18-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3",C12H15NO3SSe,,,,,,JGGOQOPULSUBIT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.862,263-668-4,62638-05-5,Strontium cyclohexanebutyrate,strontium bis(4-cyclohexylbutanoate),[Sr+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,[Sr+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,"InChI=1/2C10H18O2.Sr/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Sr,,,,,,JBJLAHGTZMLOAH-UHFFFAOYSA-L,,,,,,,,,,,
100.057.863,263-670-5,62639-97-8,(2-ethoxy-1-propenyl)triphenylphosphonium iodide,(2-ethoxyprop-1-en-1-yl)(triphenyl)phosphonium iodide,[I-].CC(=C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)OCC,[I-].CC(=C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)OCC,"InChI=1/C23H24OP.HI/c1-3-24-20(2)19-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-19H,3H2,1-2H3;1H/q+1;/p-1",C23H24OP.I,,,,,,USVXHKAXMCEZRL-UHFFFAOYSA-M,,,,,,,,,,,
100.057.867,263-674-7,62654-09-5,Bis(cyclohexylammonium) 2-cyanoethyl phosphate,dicyclohexanaminium 2-cyanoethyl phosphate,[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.[O-]P(=O)([O-])OCCC#N,[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.[O-]P(=O)([O-])OCCC#N,"InChI=1/2C6H13N.C3H6NO4P/c2*7-6-4-2-1-3-5-6;4-2-1-3-8-9(5,6)7/h2*6H,1-5,7H2;1,3H2,(H2,5,6,7)",C6H13N.1/2C3H6NO4P,,,,,,QSDZRMXWHBMBOP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.870,263-677-3,62658-88-2,Mesudipine,"diethyl 2',6'-dimethyl-2-(methylsulfanyl)-1',4'-dihydro-3,4'-bipyridine-3',5'-dicarboxylate",CCOC(=O)C1=C(C)NC(=C(C1c2cccnc2SC)C(=O)OCC)C,CCOC(=O)C1=C(C)NC(=C(C1c2cccnc2SC)C(=O)OCC)C,"InChI=1/C19H24N2O4S/c1-6-24-18(22)14-11(3)21-12(4)15(19(23)25-7-2)16(14)13-9-8-10-20-17(13)26-5/h8-10,16,21H,6-7H2,1-5H3",C19H24N2O4S,,,,,,DYGIPCPWPHKLMC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.871,263-678-9,62662-88-8,"3-fluoro-5,11-dihydro-6H-dibenz[b,e]azepin-6-one","3-fluoro-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one",Fc1ccc2Cc3ccccc3C(=O)Nc2c1,Fc1ccc2Cc3ccccc3C(=O)Nc2c1,"InChI=1/C14H10FNO/c15-11-6-5-10-7-9-3-1-2-4-12(9)14(17)16-13(10)8-11/h1-6,8H,7H2,(H,16,17)",C14H10FNO,,,,,,YQTZBLXJYKSQBS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.873,263-681-5,62667-63-4,Europium tribromate,-,[Eu+2].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Eu+2].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Eu/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+2/p-3",BrHO3.1/3Eu,,,,,,AAHLQKGNRULPDS-UHFFFAOYSA-K,,,,,,,,,,,
100.059.507,265-477-1,65122-06-7,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium acetate",CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],"InChI=1/C23H26N3.C2H4O2/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-2(3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C23H26N3.C2H3O2,,,,,,BKBFMSIYWJCZCJ-UHFFFAOYSA-M,,,,,,,,,,,
100.061.233,267-377-3,67846-64-4,"5-(benzoylamino)-2,4-dimethoxybenzenediazonium chloride hydrochloride","5-(benzoylamino)-2,4-dimethoxybenzenediazonium chloride hydrochloride",Cl.[Cl-].COc1cc(OC)c(cc1NC(=O)c2ccccc2)[N+]#N,Cl.[Cl-].COc1cc(OC)c(cc1NC(=O)c2ccccc2)[N+]#N,"InChI=1/C15H13N3O3.2ClH/c1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;;/h3-9H,1-2H3;2*1H",C15H14N3O3.ClH.Cl,,,,,,RSDJMBZUSBYMEO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.242,267-387-8,67856-55-7,"2'-methoxy[1,1'-biphenyl]-2-carboxamide",2'-methoxybiphenyl-2-carboxamide,COc1ccccc1c2ccccc2C(=O)N,COc1ccccc1c2ccccc2C(=O)N,"InChI=1/C14H13NO2/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16/h2-9H,1H3,(H2,15,16)",C14H13NO2,,,,,,FGIMLEOUWYBPNF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.129,261-761-4,59440-90-3,"1,2-dichloro-3-[2-chloro-1-(chloromethyl)ethoxy]propane","1,2-dichloro-3-[2-chloro-1-(chloromethyl)ethoxy]propane",ClCC(Cl)COC(CCl)CCl,ClCC(Cl)COC(CCl)CCl,"InChI=1/C6H10Cl4O/c7-1-5(10)4-11-6(2-8)3-9/h5-6H,1-4H2",C6H10Cl4O,,,,,,CGTOLZSVWKPITO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.140,261-774-5,59467-70-8,Midazolam,"8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine",Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12,Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12,"InChI=1/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",C18H13ClFN3,,,,,,DDLIGBOFAVUZHB-UHFFFAOYSA-N,Positive,AU155901|AU155902|AU155903|AU155904|AU155905;EQ302301|EQ302302|EQ302303|EQ302304|EQ302305|EQ302306,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,326.0891:328.085:327.0908|326.0894:327.0912:291.1188|326.0888:291.1192:328.0858|291.1195:209.0653:249.0845|249.0847:223.081:209.0654;326.0857:291.1155:325.0767|326.0856:291.1168:244.0326|291.1167:326.0857:244.0326|291.1168:249.0824:209.0637|291.1168:249.0825:209.0637|249.0824:222.0715:209.0637,Athens_Univ;Eawag,,,,,
100.057.526,263-298-3,61886-67-7,2-nonylnaphthalene,2-nonylnaphthalene,CCCCCCCCCc1ccc2ccccc2c1,CCCCCCCCCc1ccc2ccccc2c1,"InChI=1/C19H26/c1-2-3-4-5-6-7-8-11-17-14-15-18-12-9-10-13-19(18)16-17/h9-10,12-16H,2-8,11H2,1H3",C19H26,,,,,,BVGNMQMWUMKSMK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.527,263-299-9,61889-11-0,2-methylbutyl phenylacetate,2-methylbutyl phenylacetate,CCC(C)COC(=O)Cc1ccccc1,CCC(C)COC(=O)Cc1ccccc1,"InChI=1/C13H18O2/c1-3-11(2)10-15-13(14)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3",C13H18O2,,,,,,CTASGNLIGDMFEW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.530,263-302-3,61891-20-1,3-(3-hydroxypropyl)-2-[3-[3-(3-hydroxypropyl)-5-methoxy-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-5-methoxybenzothiazolium bromide,"3-(3-hydroxypropyl)-2-{3-[3-(3-hydroxypropyl)-5-methoxy-1,3-benzothiazol-2(3H)-ylidene]-2-methylprop-1-en-1-yl}-5-methoxy-1,3-benzothiazol-3-ium bromide",[Br-].OCCC[n+]3c4cc(OC)ccc4sc3C=C(C)C=C2Sc1ccc(cc1N2CCCO)OC,[Br-].OCCC[n+]3c4cc(OC)ccc4sc3C=C(C)C=C2Sc1ccc(cc1N2CCCO)OC,"InChI=1/C26H31N2O4S2.BrH/c1-18(14-25-27(10-4-12-29)21-16-19(31-2)6-8-23(21)33-25)15-26-28(11-5-13-30)22-17-20(32-3)7-9-24(22)34-26;/h6-9,14-17,29-30H,4-5,10-13H2,1-3H3;1H/q+1;/p-1",C26H31N2O4S2.Br,,,,,,QEKPQVSDOJGSHZ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.531,263-303-9,61892-68-0,3-cyanopropionamide,3-cyanopropanamide,NC(=O)CCC#N,NC(=O)CCC#N,"InChI=1/C4H6N2O/c5-3-1-2-4(6)7/h1-2H2,(H2,6,7)",C4H6N2O,,,,,,YKAWOJYVXDCFDP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.533,263-306-5,61894-02-8,Trisodium N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate,trisodium 2-[(3-carboxylatoacryloyl)(octadecyl)amino]succinate,[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)\\C=C\\C(=O)[O-],[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)\C=C\C(=O)[O-],"InChI=1/C26H45NO7.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(23(28)18-19-24(29)30)22(26(33)34)21-25(31)32;;;/h18-19,22H,2-17,20-21H2,1H3,(H,29,30)(H,31,32)(H,33,34);;;/q;3*+1/p-3",C26H45NO7.3Na,,,,,,LPSATXJMGWLRTJ-ABEOOCFOSA-K,,,,,,,,,,,
100.057.536,263-309-1,61900-98-9,Ethylmethylthiocarbamic thioanhydride,"N,N'-diethyl-N,N'-dimethyldicarbonotrithioic diamide",CCN(C)C(=S)SC(=S)N(C)CC,CCN(C)C(=S)SC(=S)N(C)CC,"InChI=1/C8H16N2S3/c1-5-9(3)7(11)13-8(12)10(4)6-2/h5-6H2,1-4H3",C8H16N2S3,,,,,,LMQXSAPNCIVZSX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.539,263-312-8,61901-02-8,"Sodium 3-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]propionate","sodium 3-[2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoate",[Na+].CCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-],[Na+].CCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-],"InChI=1/C19H36N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-18-20-13-14-21(18)15-17-24-16-12-19(22)23;/h2-17H2,1H3,(H,22,23);/q;+1/p-1",C19H36N2O3.Na,,,,,,WMHNQWNEMSMZOX-UHFFFAOYSA-M,,,,,,,,,,,
100.057.541,263-314-9,61909-29-3,"2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]phenol","2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]phenol",Nc1nc(Cl)nc(Oc2ccccc2O)n1,Nc1nc(Cl)nc(Oc2ccccc2O)n1,"InChI=1/C9H7ClN4O2/c10-7-12-8(11)14-9(13-7)16-6-4-2-1-3-5(6)15/h1-4,15H,(H2,11,12,13,14)",C9H7ClN4O2,,,,,,GRARGPNNDYLUGL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.550,263-324-3,61925-55-1,"2-methoxy-4-nitrobenzenediazonium naphthalene-1,5-disulphonate (2:1)","bis(2-methoxy-4-nitrobenzenediazonium) naphthalene-1,5-disulfonate",COc1cc(ccc1[N+]#N)[N+](=O)[O-].COc2cc(ccc2[N+]#N)[N+](=O)[O-].[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-],COc1cc(ccc1[N+]#N)[N+](=O)[O-].COc2cc(ccc2[N+]#N)[N+](=O)[O-].[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2C7H6N3O3/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-13-7-4-5(10(11)12)2-3-6(7)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2",C10H6O6S2.2C7H6N3O3,,,,,,NBJGTSKKWFZFEJ-UHFFFAOYSA-L,,,,,,,,,,,
100.058.066,263-892-2,63133-75-5,Triisobutyl citrate,triisobutyl citrate,CC(C)COC(=O)CC(O)(CC(=O)OCC(C)C)C(=O)OCC(C)C,CC(C)COC(=O)CC(O)(CC(=O)OCC(C)C)C(=O)OCC(C)C,"InChI=1/C18H32O7/c1-12(2)9-23-15(19)7-18(22,17(21)25-11-14(5)6)8-16(20)24-10-13(3)4/h12-14,22H,7-11H2,1-6H3",C18H32O7,,,,,,AGBVGLJAIGBYAD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.307,267-458-3,67874-20-8,"1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate","1-{2-[(2-cyanoethyl)(stearoyl)amino]ethyl}-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CC[N+]1(CC)CCN=C1CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C45H87N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44-47-39-42-49(44,6-3)43-41-48(40-35-38-46)45(50)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-37,39-43H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C45H87N4O.C2H5O4S,,,,,,VJZSHHISGDXXMO-UHFFFAOYSA-M,,,,,,,,,,,
100.061.320,267-473-5,67874-43-5,"Tetrasodium N,N'-ethylenebis[N-(2-carboxylatoethyl)-ß-alaninate]","tetrasodium 3,3',3'',3'''-(ethane-1,2-diyldinitrilo)tetrapropanoate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CCN(CCN(CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CCN(CCN(CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-],"InChI=1/C14H24N2O8.4Na/c17-11(18)1-5-15(6-2-12(19)20)9-10-16(7-3-13(21)22)8-4-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4",C14H24N2O8.4Na,,,,,,CJVPOGPEEJPBFT-UHFFFAOYSA-J,,,,,,,,,,,
100.061.322,267-475-6,67874-46-8,"4-methyl-9-oxo-4-[[2-(propionyloxy)ethyl]thio]-8-oxa-3,5-dithia-4-stannaundecyl propionate","4-methyl-9-oxo-4-{[2-(propionyloxy)ethyl]sulfanyl}-8-oxa-3,5-dithia-4-stannaundec-1-yl propionate (non-preferred name)",CCC(=O)OCCS[Sn](C)(SCCOC(=O)CC)SCCOC(=O)CC,CCC(=O)OCCS[Sn](C)(SCCOC(=O)CC)SCCOC(=O)CC,"InChI=1/3C5H10O2S.CH3.Sn/c3*1-2-5(6)7-3-4-8;;/h3*8H,2-4H2,1H3;1H3;/q;;;;+3/p-3/rC16H30O6S3Sn/c1-5-14(17)20-8-11-23-26(4,24-12-9-21-15(18)6-2)25-13-10-22-16(19)7-3/h5-13H2,1-4H3",C16H30O6S3Sn,,,,,,HYXYGXCZBAZPBH-UHFFFAOYSA-K,,,,,,,,,,,
100.061.326,267-479-8,67874-52-6,Barium p-toluate,barium bis(4-methylbenzoate),[Ba+2].Cc1ccc(cc1)C(=O)[O-].Cc2ccc(cc2)C(=O)[O-],[Ba+2].Cc1ccc(cc1)C(=O)[O-].Cc2ccc(cc2)C(=O)[O-],"InChI=1/2C8H8O2.Ba/c2*1-6-2-4-7(5-3-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Ba,,,,,,HVHWAUVVZBOIDD-UHFFFAOYSA-L,,,,,,,,,,,
100.061.335,267-489-2,67874-62-8,"Disodium 3,3'-[2-butyne-1,4-diylbis(oxy)]bis[2-hydroxypropanesulphonate]","disodium 3,3'-[but-2-yne-1,4-diylbis(oxy)]bis(2-hydroxypropane-1-sulfonate)",[Na+].[Na+].OC(COCC#CCOCC(O)CS(=O)(=O)[O-])CS(=O)(=O)[O-],[Na+].[Na+].OC(COCC#CCOCC(O)CS(=O)(=O)[O-])CS(=O)(=O)[O-],"InChI=1/C10H18O10S2.2Na/c11-9(7-21(13,14)15)5-19-3-1-2-4-20-6-10(12)8-22(16,17)18;;/h9-12H,3-8H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",C10H18O10S2.2Na,,,,,,VTHDORBZEOUGAZ-UHFFFAOYSA-L,,,,,,,,,,,
100.061.343,267-498-1,67874-70-8,"N-[2-[(2,4-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2,4-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl}acetamide",COc3cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc3NCC(O)COc2ccccc2)NC(C)=O,COc3cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc3NCC(O)COc2ccccc2)NC(C)=O,"InChI=1/C24H24N6O8/c1-15(31)26-20-11-22(25-13-17(32)14-38-18-6-4-3-5-7-18)24(37-2)12-21(20)28-27-19-9-8-16(29(33)34)10-23(19)30(35)36/h3-12,17,25,32H,13-14H2,1-2H3,(H,26,31)",C24H24N6O8,,,,,,MYRJIGORVBOITE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.378,264-235-2,63467-32-3,"8,9-dihydro-2-methylnaphtho[1,2-d]thiazole hydrobromide","2-methyl-8,9-dihydronaphtho[1,2-d][1,3]thiazole hydrobromide",Br.Cc1nc2c3CCC=Cc3ccc2s1,Br.Cc1nc2c3CCC=Cc3ccc2s1,"InChI=1/C12H11NS.BrH/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8;/h2,4,6-7H,3,5H2,1H3;1H",C12H11NS.BrH,,,,,,POLHIQIGPYAYOU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.381,264-238-9,63467-37-8,"8,9-dihydro-2-methylnaphtho[1,2-d]thiazole","2-methyl-8,9-dihydronaphtho[1,2-d][1,3]thiazole",Cc1nc2c3CCC=Cc3ccc2s1,Cc1nc2c3CCC=Cc3ccc2s1,"InChI=1/C12H11NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2,4,6-7H,3,5H2,1H3",C12H11NS,,,,,,QEUUFJLLFQIUQH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.383,264-241-5,63467-70-9,"N,N-dimethyl-3-nitroanilinium monobromide","N,N-dimethyl-3-nitroanilinium bromide",[Br-].C[NH+](C)c1cccc(c1)[N+](=O)[O-],[Br-].C[NH+](C)c1cccc(c1)[N+](=O)[O-],"InChI=1/C8H10N2O2.BrH/c1-9(2)7-4-3-5-8(6-7)10(11)12;/h3-6H,1-2H3;1H",C8H10N2O2.BrH,,,,,,IZBUNSGDZIRXPB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.386,264-244-1,63467-92-5,"3-ethyl-2-[4-(phenylamino)buta-1,3-dienyl]benzoxazolium iodide","2-(4-anilinobuta-1,3-dien-1-yl)-3-ethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]2c3ccccc3oc2C=CC=CNc1ccccc1,[I-].CC[n+]2c3ccccc3oc2C=CC=CNc1ccccc1,"InChI=1/C19H18N2O.HI/c1-2-21-17-12-6-7-13-18(17)22-19(21)14-8-9-15-20-16-10-4-3-5-11-16;/h3-15H,2H2,1H3;1H",C19H19N2O.I,,,,,,RQFWLOHMZWLHAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.391,264-249-9,63468-13-3,2-ethylhexyl methyl terephthalate,2-ethylhexyl methyl terephthalate,CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OC,CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OC,"InChI=1/C17H24O4/c1-4-6-7-13(5-2)12-21-17(19)15-10-8-14(9-11-15)16(18)20-3/h8-11,13H,4-7,12H2,1-3H3",C17H24O4,,,,,,KHDNBLKBTBOSDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.392,264-250-4,63468-14-4,2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-ethylhexanoate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCCOCCOCCO,CCCCC(CC)C(=O)OCCOCCOCCO,"InChI=1/C14H28O5/c1-3-5-6-13(4-2)14(16)19-12-11-18-10-9-17-8-7-15/h13,15H,3-12H2,1-2H3",C14H28O5,,,,,,YDMUHPNUJGYGMC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.393,264-252-5,63468-27-9,Ethyl 3-ethoxy-3-[(4-nitrophenyl)imino]propionate,ethyl 3-ethoxy-3-[(4-nitrophenyl)imino]propanoate,CCOC(=O)CC(OCC)=Nc1ccc(cc1)[N+]([O-])=O,CCOC(=O)CC(OCC)=Nc1ccc(cc1)[N+]([O-])=O,"InChI=1/C13H16N2O5/c1-3-19-12(9-13(16)20-4-2)14-10-5-7-11(8-6-10)15(17)18/h5-8H,3-4,9H2,1-2H3",C13H16N2O5,,,,,,ZJGJNPAVJZSQLA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.396,264-255-1,63468-74-6,Sodium [[(1-methylethylidene)amino]oxy]acetate,sodium [(isopropylideneamino)oxy]acetate,[Na+].CC(=NOCC(=O)[O-])C,[Na+].CC(=NOCC(=O)[O-])C,"InChI=1/C5H9NO3.Na/c1-4(2)6-9-3-5(7)8;/h3H2,1-2H3,(H,7,8);/q;+1/p-1",C5H9NO3.Na,,,,,,BUISEWVWRCRAKF-UHFFFAOYSA-M,,,,,,,,,,,
100.060.665,266-751-3,67596-84-3,"(R)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]-2-methylisoquinoline","1-(4-methoxybenzyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline",COc1ccc(C[C@H]2N(C)CCC3=C2CCCC3)cc1,COc1ccc(C[C@H]2N(C)CCC3=C2CCCC3)cc1,"InChI=1/C18H25NO/c1-19-12-11-15-5-3-4-6-17(15)18(19)13-14-7-9-16(20-2)10-8-14/h7-10,18H,3-6,11-13H2,1-2H3",C18H25NO,,,,,,CRXXSGLBECOUQH-GOSISDBHSA-N,,,,,,,,,,,
100.056.190,261-828-8,59632-85-8,trans-1-methyl-4-(1-methylvinyl)cyclohexyl acetate,4-isopropenyl-1-methylcyclohexyl acetate,CC(=O)O[C@@]1(C)CC[C@@H](CC1)C(=C)C,CC(=O)O[C@@]1(C)CC[C@@H](CC1)C(=C)C,"InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3",C12H20O2,,,,,,URVNHQCLMBMWIW-HAQNSBGRSA-N,,,,,,,,,,,
100.056.198,261-837-7,59643-85-5,2-methoxyphenyl lactate,2-methoxyphenyl 2-hydroxypropanoate,COc1ccccc1OC(=O)C(C)O,COc1ccccc1OC(=O)C(C)O,"InChI=1/C10H12O4/c1-7(11)10(12)14-9-6-4-3-5-8(9)13-2/h3-7,11H,1-2H3",C10H12O4,,,,,,FUSJIKIVYFVQHX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.199,261-838-2,59643-91-3,Imexon,"4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one",N/C1=N/C(=O)N2CC12,N/C1=N/C(=O)N2CC12,"InChI=1/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)",C4H5N3O,,,,,,BIXBBIPTYBJTRY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.201,261-840-3,59651-54-6,"2-[5-[5-[1-[2-(aminosulphonyl)phenyl]-3-cyclohexyl-1,2,3,4-tetrahydro-6-hydroxy-2,4-dioxo-5-pyrimidinyl]penta-2,4-dienylidene]-3-cyclohexyltetrahydro-2,4,6-trioxo-1(2H)-pyrimidinyl]benzenesulphonamide","2-[3-cyclohexyl-5-{5-[3-cyclohexyl-6-hydroxy-2,4-dioxo-1-(2-sulfamoylphenyl)-1,2,3,4-tetrahydropyrimidin-5-yl]penta-2,4-dien-1-ylidene}-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzenesulfonamide",NS(=O)(=O)c1ccccc1N6C(\\O)=C(\\C=CC=CC=C3C(=O)N(c2ccccc2S(N)(=O)=O)C(=O)N(C3=O)C4CCCCC4)C(=O)N(C5CCCCC5)C6=O,NS(=O)(=O)c1ccccc1N6C(\O)=C(\C=CC=CC=C3C(=O)N(c2ccccc2S(N)(=O)=O)C(=O)N(C3=O)C4CCCCC4)C(=O)N(C5CCCCC5)C6=O,"InChI=1/C37H40N6O10S2/c38-54(50,51)30-22-12-10-20-28(30)42-34(46)26(32(44)40(36(42)48)24-14-4-1-5-15-24)18-8-3-9-19-27-33(45)41(25-16-6-2-7-17-25)37(49)43(35(27)47)29-21-11-13-23-31(29)55(39,52)53/h3,8-13,18-25,46H,1-2,4-7,14-17H2,(H2,38,50,51)(H2,39,52,53)",C37H40N6O10S2,,,,,,SHEBDDONGVJDRG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.207,261-847-1,59666-16-9,"2,7-dichloro-4-methylquinoline","2,7-dichloro-4-methylquinoline",Cc1cc(Cl)nc2cc(Cl)ccc12,Cc1cc(Cl)nc2cc(Cl)ccc12,"InChI=1/C10H7Cl2N/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3",C10H7Cl2N,,,,,,FTONSAARTKYOAV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.208,261-848-7,59669-26-0,"Dimethyl N,N'-[thiobis[(methylimino)carbonyloxy]]bis(thioimidoacetate)","dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate",CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC,CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC,InChI=1/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3,C10H18N4O4S3,,,,,,XDOTVMNBCQVZKG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.218,261-859-7,59691-15-5,3-amino-4-propoxybenzoic acid,3-amino-4-propoxybenzoic acid,CCCOc1ccc(cc1N)C(=O)O,CCCOc1ccc(cc1N)C(=O)O,"InChI=1/C10H13NO3/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6H,2,5,11H2,1H3,(H,12,13)",C10H13NO3,,,,,,UZOZIVWRRZWJMT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.607,263-387-7,62038-11-3,Morpholine citrate,"morpholine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",OC(=O)CC(O)(CC(=O)O)C(=O)O.C1COCCN1,OC(=O)CC(O)(CC(=O)O)C(=O)O.C1COCCN1,"InChI=1/C6H8O7.C4H9NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3-6-4-2-5-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5H,1-4H2",C6H8O7.xC4H9NO,,,,,,MUAWWROODCFBEM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.610,263-390-3,62047-27-2,1-[(2-chloroethyl)thio]-2-nitrobenzene,1-[(2-chloroethyl)sulfanyl]-2-nitrobenzene,[O-][N+](=O)c1ccccc1SCCCl,[O-][N+](=O)c1ccccc1SCCCl,"InChI=1/C8H8ClNO2S/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,5-6H2",C8H8ClNO2S,,,,,,NDGBEMZDTZFYFI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.614,263-395-0,62072-81-5,"Methyl N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate","dimethyl 3,3'-({5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxyphenyl}imino)dipropanoate (non-preferred name)",COc2cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc2N(CCC(=O)OC)CCC(=O)OC)NC(C)=O,COc2cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc2N(CCC(=O)OC)CCC(=O)OC)NC(C)=O,"InChI=1/C23H26N6O10/c1-14(30)24-17-12-20(27(9-7-22(31)38-3)10-8-23(32)39-4)21(37-2)13-18(17)26-25-16-6-5-15(28(33)34)11-19(16)29(35)36/h5-6,11-13H,7-10H2,1-4H3,(H,24,30)",C23H26N6O10,,,,,,PRXVOZRQJNSLIB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.622,263-403-2,62103-09-7,"1,1,1,3-tetrachloro-4-methylpentane","1,1,1,3-tetrachloro-4-methylpentane",CC(C)C(Cl)CC(Cl)(Cl)Cl,CC(C)C(Cl)CC(Cl)(Cl)Cl,"InChI=1/C6H10Cl4/c1-4(2)5(7)3-6(8,9)10/h4-5H,3H2,1-2H3",C6H10Cl4,,,,,,NEPBEPYINQHTKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.775,265-772-5,65416-35-5,3-methyl-3-octyloxirane-2-carboxylic acid,3-methyl-3-octyloxirane-2-carboxylic acid,CCCCCCCCC1(C)OC1C(=O)O,CCCCCCCCC1(C)OC1C(=O)O,"InChI=1/C12H22O3/c1-3-4-5-6-7-8-9-12(2)10(15-12)11(13)14/h10H,3-9H2,1-2H3,(H,13,14)",C12H22O3,,,,,,GLHDTOZHBNFVQW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.782,265-779-3,65443-14-3,"2,2,5-trimethyl-5-pentylcyclopentan-1-one","2,2,5-trimethyl-5-pentylcyclopentanone",CCCCCC1(C)CCC(C)(C)C1=O,CCCCCC1(C)CCC(C)(C)C1=O,"InChI=1/C13H24O/c1-5-6-7-8-13(4)10-9-12(2,3)11(13)14/h5-10H2,1-4H3",C13H24O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17440,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.782,PUKWIVZFEZFVAT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.509,265-479-2,65122-08-9,"2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium acetate","1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3H-indolium acetate",[O-]C(C)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C,[O-]C(C)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C25H29N2.C2H4O2/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;1-2(3)4/h7-17H,1-6H3;1H3,(H,3,4)/q+1;/p-1",C25H29N2.C2H3O2,,,,,,URHPWVXDUPYQLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.061.530,267-703-4,67906-36-9,"1,4-bis[(2,6-dimethylphenyl)amino]-6,7-dichloroanthraquinone","6,7-dichloro-1,4-bis[(2,6-dimethylphenyl)amino]-9,10-anthraquinone",Cc1cccc(C)c1Nc2ccc(Nc3c(C)cccc3C)c4C(=O)c5cc(Cl)c(Cl)cc5C(=O)c24,Cc1cccc(C)c1Nc2ccc(Nc3c(C)cccc3C)c4C(=O)c5cc(Cl)c(Cl)cc5C(=O)c24,"InChI=1/C30H24Cl2N2O2/c1-15-7-5-8-16(2)27(15)33-23-11-12-24(34-28-17(3)9-6-10-18(28)4)26-25(23)29(35)19-13-21(31)22(32)14-20(19)30(26)36/h5-14,33-34H,1-4H3",C30H24Cl2N2O2,,,,,,PCNWENIIFRCYSX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.538,267-712-3,67906-45-0,Trisodium 5-[[4-[(4-acetamidophenyl)azo]-7-sulphonatonaphthyl]azo]-8-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,trisodium 5-{[4-({4-[(4-acetamidophenyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}-6-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)c6cc(ccc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)c6cc(ccc67)S([O-])(=O)=O,"InChI=1/C38H27N7O11S3.3Na/c1-21(46)39-23-3-5-24(6-4-23)40-41-33-13-15-35(31-19-26(58(51,52)53)8-11-29(31)33)43-42-34-14-16-36(32-20-27(59(54,55)56)9-12-30(32)34)44-45-38-28-10-7-25(57(48,49)50)18-22(28)2-17-37(38)47;;;/h2-20,47H,1H3,(H,39,46)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C38H27N7O11S3.3Na,,,,,,PIEYBJQVSACKLK-UHFFFAOYSA-K,,,,,,,,,,,
100.061.545,267-720-7,67906-52-9,Sodium 5-[(4-hydroxyphenyl)azo]-8-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate,sodium 5-[(4-hydroxyphenyl)diazenyl]-8-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate,[Na+].COc4ccccc4N=Nc3ccc(N=Nc1ccc(O)cc1)c2ccc(cc23)S([O-])(=O)=O,[Na+].COc4ccccc4N=Nc3ccc(N=Nc1ccc(O)cc1)c2ccc(cc23)S([O-])(=O)=O,"InChI=1/C23H18N4O5S.Na/c1-32-23-5-3-2-4-22(23)27-26-21-13-12-20(25-24-15-6-8-16(28)9-7-15)18-11-10-17(14-19(18)21)33(29,30)31;/h2-14,28H,1H3,(H,29,30,31);/q;+1/p-1",C23H18N4O5S.Na,,,,,,SVRWKURPXSKISF-UHFFFAOYSA-M,,,,,,,,,,,
100.061.546,267-721-2,67906-54-1,p-[[4-(chloroazo)-5-methoxy-o-tolyl]azo]benzenesulphonic acid,4-{[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]diazenyl}benzenesulfonic acid,COc2cc(N=Nc1ccc(cc1)S(O)(=O)=O)c(C)cc2N=NCl,COc2cc(N=Nc1ccc(cc1)S(O)(=O)=O)c(C)cc2N=NCl,"InChI=1/C14H13ClN4O4S/c1-9-7-13(18-19-15)14(23-2)8-12(9)17-16-10-3-5-11(6-4-10)24(20,21)22/h3-8H,1-2H3,(H,20,21,22)",C14H13ClN4O4S,,,,,,AZPGMBMWDRHSAG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.547,267-722-8,67906-55-2,"Disodium 3-[(4-amino-3-methoxyphenyl)azo]naphthalene-1,5-disulphonate","disodium 3-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1,5-disulfonate",[Na+].[Na+].Nc1ccc(cc1OC)N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Nc1ccc(cc1OC)N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H15N3O7S2.2Na/c1-27-15-8-10(5-6-14(15)18)19-20-11-7-13-12(17(9-11)29(24,25)26)3-2-4-16(13)28(21,22)23;;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C17H15N3O7S2.2Na,,,,,,ABTAPMOIPJSVIW-UHFFFAOYSA-L,,,,,,,,,,,
100.061.553,267-729-6,67906-61-0,7-amino-4-hydroxy-8-[(3-sulphophenyl)azo]naphthalene-2-sulphonic acid,7-amino-4-hydroxy-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c1cccc(c1)N=Nc3c(N)ccc2c3cc(cc2O)S(O)(=O)=O,OS(=O)(=O)c1cccc(c1)N=Nc3c(N)ccc2c3cc(cc2O)S(O)(=O)=O,"InChI=1/C16H13N3O7S2/c17-14-5-4-12-13(7-11(8-15(12)20)28(24,25)26)16(14)19-18-9-2-1-3-10(6-9)27(21,22)23/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26)",C16H13N3O7S2,,,,,,LZFJOVCOABZZFH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.554,267-730-1,67906-70-1,2-[ethyl[(tridecafluorohexyl)sulphonyl]amino]ethyl methacrylate,2-{ethyl[(tridecafluorohexyl)sulfonyl]amino}ethyl methacrylate,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H14F13NO4S/c1-4-28(5-6-32-8(29)7(2)3)33(30,31)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h2,4-6H2,1,3H3",C14H14F13NO4S,,,,,,HCLVYCJMWIGREO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.555,267-731-7,67906-73-4,2-[ethyl[(undecafluoropentyl)sulphonyl]amino]ethyl methacrylate,2-{ethyl[(undecafluoropentyl)sulfonyl]amino}ethyl methacrylate,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H14F11NO4S/c1-4-25(5-6-29-8(26)7(2)3)30(27,28)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h2,4-6H2,1,3H3",C13H14F11NO4S,,,,,,WGAZHHCZKIWWFF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.067,263-893-8,63133-78-8,5-(acetylamino)-1-hydroxy-2-naphthoic acid,5-acetamido-1-hydroxy-2-naphthoic acid,CC(=O)Nc1cccc2c(O)c(ccc12)C(=O)O,CC(=O)Nc1cccc2c(O)c(ccc12)C(=O)O,"InChI=1/C13H11NO4/c1-7(15)14-11-4-2-3-9-8(11)5-6-10(12(9)16)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)",C13H11NO4,,,,,,JPUYRWWCTSJJED-UHFFFAOYSA-N,,,,,,,,,,,
100.058.068,263-894-3,63133-79-9,"(2,4,6-trichlorophenyl)hydrazine sulphate","(2,4,6-trichlorophenyl)hydrazine sulfate",NNc1c(Cl)cc(Cl)cc1Cl.OS(=O)(=O)O,NNc1c(Cl)cc(Cl)cc1Cl.OS(=O)(=O)O,"InChI=1/C6H5Cl3N2.H2O4S/c7-3-1-4(8)6(11-10)5(9)2-3;1-5(2,3)4/h1-2,11H,10H2;(H2,1,2,3,4)",C6H5Cl3N2.xH2O4S,,,,,,LXJKAYIKPLXFKH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.069,263-895-9,63133-80-2,"N-[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]-4,4-dimethyl-3-oxovaleramide","N-(2-chloro-5-{[2-(3-pentadecylphenoxy)butanoyl]amino}phenyl)-4,4-dimethyl-3-oxopentanamide",CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Nc2ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c2)c1,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Nc2ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c2)c1,"InChI=1/C38H57ClN2O4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-29-22-20-23-31(26-29)45-34(7-2)37(44)40-30-24-25-32(39)33(27-30)41-36(43)28-35(42)38(3,4)5/h20,22-27,34H,6-19,21,28H2,1-5H3,(H,40,44)(H,41,43)",C38H57ClN2O4,,,,,,YMUPHCBQBARKGF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.081,263-909-3,63134-10-1,"N-[6-[(2-bromo-4,6-dinitrophenyl)azo]-1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-7-yl]propionamide","N-{6-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-ethyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-7-yl}propanamide",[O-][N+](=O)c3cc(cc(Br)c3N=Nc1cc2c(cc1NC(=O)CC)N(CC)C(C)(C)CC2C)[N+]([O-])=O,[O-][N+](=O)c3cc(cc(Br)c3N=Nc1cc2c(cc1NC(=O)CC)N(CC)C(C)(C)CC2C)[N+]([O-])=O,"InChI=1/C23H27BrN6O5/c1-6-21(31)25-17-11-19-15(13(3)12-23(4,5)28(19)7-2)10-18(17)26-27-22-16(24)8-14(29(32)33)9-20(22)30(34)35/h8-11,13H,6-7,12H2,1-5H3,(H,25,31)",C23H27BrN6O5,,,,,,VAWZBCGBLAZCHP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.084,263-913-5,63134-15-6,"N-[5-(dipropylamino)-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]azo]phenyl]acetamide","N-[5-(dipropylamino)-2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]diazenyl}phenyl]acetamide",CCSc2nnc(N=Nc1ccc(cc1NC(C)=O)N(CCC)CCC)s2,CCSc2nnc(N=Nc1ccc(cc1NC(C)=O)N(CCC)CCC)s2,"InChI=1/C18H26N6OS2/c1-5-10-24(11-6-2)14-8-9-15(16(12-14)19-13(4)25)20-21-17-22-23-18(27-17)26-7-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,19,25)",C18H26N6OS2,,,,,,RYUOZOUELVJZGD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.085,263-914-0,63134-19-0,Methyl 2-(4-acetamidophenoxy)myristate,methyl 2-(4-acetamidophenoxy)tetradecanoate,CCCCCCCCCCCCC(Oc1ccc(NC(=O)C)cc1)C(=O)OC,CCCCCCCCCCCCC(Oc1ccc(NC(=O)C)cc1)C(=O)OC,"InChI=1/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-22(23(26)27-3)28-21-17-15-20(16-18-21)24-19(2)25/h15-18,22H,4-14H2,1-3H3,(H,24,25)",C23H37NO4,,,,,,CDRWELMQOGDRDI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.087,263-916-1,63134-25-8,"N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-nitrobenzamide","3-nitro-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide",[O-][N+](=O)c1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl,[O-][N+](=O)c1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl,"InChI=1/C16H9Cl3N4O4/c17-9-5-11(18)15(12(19)6-9)22-14(24)7-13(21-22)20-16(25)8-2-1-3-10(4-8)23(26)27/h1-6H,7H2,(H,20,21,25)",C16H9Cl3N4O4,,,,,,NVMCTYFWKJPYBA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.092,263-921-9,63134-34-9,"N-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxovaleramide","N-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxopentanamide",CC(C)(C)C(=O)CC(=O)Nc1ccc(Cl)cc1Cl,CC(C)(C)C(=O)CC(=O)Nc1ccc(Cl)cc1Cl,"InChI=1/C13H15Cl2NO2/c1-13(2,3)11(17)7-12(18)16-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H,16,18)",C13H15Cl2NO2,,,,,,NUIAEWCYEUQGBK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.101,263-931-3,63148-80-1,S-[2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl] ethanethioate,S-{2-[(5-chloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethyl} ethanethioate,CC(=O)SCC(=O)Nc1cc(Cl)c(C)cc1O,CC(=O)SCC(=O)Nc1cc(Cl)c(C)cc1O,"InChI=1/C11H12ClNO3S/c1-6-3-10(15)9(4-8(6)12)13-11(16)5-17-7(2)14/h3-4,15H,5H2,1-2H3,(H,13,16)",C11H12ClNO3S,,,,,,MRMIFRUIXQBIGV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.103,263-933-4,63148-82-3,"4-amino-1-hydroxy-N,N-dioctadecylnaphthalene-1-carboxamide monohydrochloride","4-amino-1-hydroxy-N,N-dioctadecyl-1,2-dihydronaphthalene-1-carboxamide hydrochloride",Cl.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1(O)CC=C(N)c2ccccc12,Cl.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1(O)CC=C(N)c2ccccc12,"InChI=1/C47H84N2O2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-49(46(50)47(51)40-39-45(48)43-37-33-34-38-44(43)47)42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33-34,37-39,51H,3-32,35-36,40-42,48H2,1-2H3;1H",C47H82N2O2.ClH,,,,,,QVZOXGNMJZWIGB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.457,265-422-1,65104-41-8,"Lithium 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonate","lithium 2-[2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate",[Li+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccccc6C5=O,[Li+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccccc6C5=O,"InChI=1/C26H16N2O5S2.Li/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30;/h2-12,21H,1H3,(H,31,32,33);/q;+1/p-1",C26H16N2O5S2.Li,,,,,,CMZFIPAVTRBJNV-UHFFFAOYSA-M,,,,,,,,,,,
100.058.401,264-260-9,63469-13-6,"3',6'-dihydroxy-5-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one hydrochloride","3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one hydrochloride",Cl.Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1,Cl.Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1,"InChI=1/C21H11NO5S.ClH/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21;/h1-9,23-24H;1H",C21H11NO5S.ClH,,,,,,VEOKINNSACYXAM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.402,264-261-4,63469-23-8,"1,1'-[[3-(dimethylamino)propyl]imino]bispropan-2-ol","1,1'-{[3-(dimethylamino)propyl]imino}dipropan-2-ol",CC(O)CN(CCCN(C)C)CC(C)O,CC(O)CN(CCCN(C)C)CC(C)O,"InChI=1/C11H26N2O2/c1-10(14)8-13(9-11(2)15)7-5-6-12(3)4/h10-11,14-15H,5-9H2,1-4H3",C11H26N2O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5442,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.402,FFCUXTGIVGMUKC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.412,264-272-4,63494-80-4,"Calcium hydrogen 3-[(4-hydroxy-3-sulphonatophenyl)(4-oxo-3-sulphonato-2,5-cyclohexadien-1-ylidene)methyl]benzoate","calcium hydrogen 3-[(4-hydroxy-3-sulfonatophenyl)(4-oxo-3-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]benzoate",[H+].[Ca+2].[O-]C(=O)c1cc(ccc1)C(c2cc(c(O)cc2)S([O-])(=O)=O)=C/3/C=C\\C(=O)\\C(=C\\3)S([O-])(=O)=O,[H+].[Ca+2].[O-]C(=O)c1cc(ccc1)C(c2cc(c(O)cc2)S([O-])(=O)=O)=C/3/C=C\C(=O)\C(=C\3)S([O-])(=O)=O,"InChI=1/C20H14O10S2.Ca.H2/c21-15-6-4-12(9-17(15)31(25,26)27)19(11-2-1-3-14(8-11)20(23)24)13-5-7-16(22)18(10-13)32(28,29)30;;/h1-10,21H,(H,23,24)(H,25,26,27)(H,28,29,30);;1H/q;+2;+1/p-3",C20H14O10S2.Ca,,,,,,BEORDIWGKSLKRP-UHFFFAOYSA-L,,,,,,,,,,,
100.058.415,264-276-6,63498-29-3,"2,2'-hexamethylenebisisothiouronium dibromide","hexane-1,6-diyl bis(imidothiocarbamate)",NC(=N)SCCCCCCSC(=N)N,NC(=N)SCCCCCCSC(=N)N,"InChI=1/C8H18N4S2/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H3,9,10)(H3,11,12)",C8H18N4S2.2BrH,,,,,,DYGQVQHELWCVGV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.416,264-277-1,63500-72-1,Tetrahydro-4-methyl-2-phenyl-2H-pyran-4-ol,4-methyl-2-phenyltetrahydro-2H-pyran-4-ol,CC1(O)CCOC(C1)c2ccccc2,CC1(O)CCOC(C1)c2ccccc2,"InChI=1/C12H16O2/c1-12(13)7-8-14-11(9-12)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3",C12H16O2,,,,,,UUQVBQLAIFOJHO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.417,264-278-7,63503-05-9,2-naphthyl 6-deoxy-a-L-galactopyranoside,2-naphthyl 6-deoxy-alpha-L-galactopyranoside,C[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1/C16H18O5/c1-9-13(17)14(18)15(19)16(20-9)21-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13-19H,1H3",C16H18O5,,,,,,HFJUQSUBZOKELZ-FITDYDNJSA-N,,,,,,,,,,,
100.058.418,264-279-2,63503-96-8,"Trisodium 2-[4-[2-(4-amino-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonate","trisodium 2-{4-[2-(4-amino-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonate",[Na+].[Na+].[Na+].Nc1ccc(\\C=C\\c2ccc(cc2S(=O)(=O)[O-])n3nc4cc(c5ccccc5c4n3)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1ccc(\C=C\c2ccc(cc2S(=O)(=O)[O-])n3nc4cc(c5ccccc5c4n3)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C24H18N4O9S3.3Na/c25-16-9-7-14(21(11-16)38(29,30)31)5-6-15-8-10-17(12-22(15)39(32,33)34)28-26-20-13-23(40(35,36)37)18-3-1-2-4-19(18)24(20)27-28;;;/h1-13H,25H2,(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3",C24H18N4O9S3.3Na,,,,,,NHAWFFHXPBQVFQ-FWMLTEASSA-K,,,,,,,,,,,
100.054.251,259-696-1,55526-24-4,"N,N-diethyl-3'-phenyl-2,2'-spirobi[2H-1-benzopyran]-7-amine","N,N-diethyl-3'-phenyl-2,2'-spirobi[chromen]-7-amine",CCN(CC)c1ccc2C=CC3(Oc4ccccc4C=C3c5ccccc5)Oc2c1,CCN(CC)c1ccc2C=CC3(Oc4ccccc4C=C3c5ccccc5)Oc2c1,"InChI=1/C27H25NO2/c1-3-28(4-2)23-15-14-21-16-17-27(30-26(21)19-23)24(20-10-6-5-7-11-20)18-22-12-8-9-13-25(22)29-27/h5-19H,3-4H2,1-2H3",C27H25NO2,,,,,,KDMXIQJIVFETAO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.253,259-698-2,55526-95-9,2-methyl-3-(4-sulphonatobutyl)benzothiazolium,"4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate",Cc1sc2ccccc2[n+]1CCCCS(=O)(=O)[O-],Cc1sc2ccccc2[n+]1CCCCS(=O)(=O)[O-],"InChI=1/C12H15NO3S2/c1-10-13(8-4-5-9-18(14,15)16)11-6-2-3-7-12(11)17-10/h2-3,6-7H,4-5,8-9H2,1H3",C12H15NO3S2,,,,,,XPDBNOKCSYBVMY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.257,259-702-2,55546-11-7,"4-methyl-2-(2-methyl-1-propenyl)-1,3-dioxane","4-methyl-2-(2-methylprop-1-en-1-yl)-1,3-dioxane",CC1CCOC(O1)C=C(C)C,CC1CCOC(O1)C=C(C)C,"InChI=1/C9H16O2/c1-7(2)6-9-10-5-4-8(3)11-9/h6,8-9H,4-5H2,1-3H3",C9H16O2,,,,,,MIHZNPXEZUDVDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.258,259-703-8,55552-24-4,Ethyl (diphenylphosphino)acetate,ethyl (diphenylphosphino)acetate,CCOC(=O)CP(c1ccccc1)c2ccccc2,CCOC(=O)CP(c1ccccc1)c2ccccc2,"InChI=1/C16H17O2P/c1-2-18-16(17)13-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3",C16H17O2P,,,,,,PSFGJGLKZFVIHY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.259,259-704-3,55552-25-5,(a-ethoxyvinyl)triphenylphosphonium bromide,(1-ethoxyvinyl)(triphenyl)phosphonium bromide,[Br-].CCOC(=C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCOC(=C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C22H22OP.BrH/c1-3-23-19(2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3H2,1H3;1H/q+1;/p-1",C22H22OP.Br,,,,,,MLYSKCDJJUOXIR-UHFFFAOYSA-M,,,,,,,,,,,
100.059.784,265-781-4,65448-72-8,3-(hydroxymethyl)-5-methylsalicylaldehyde,2-hydroxy-3-(hydroxymethyl)-5-methylbenzaldehyde,Cc1cc(CO)c(O)c(C=O)c1,Cc1cc(CO)c(O)c(C=O)c1,"InChI=1/C9H10O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-4,11-12H,5H2,1H3",C9H10O3,,,,,,ZDFBTCGNMLBHHT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.789,265-787-7,65461-91-8,"3,3'-iminobisphenol","3,3'-iminodiphenol",Oc1cccc(Nc2cccc(O)c2)c1,Oc1cccc(Nc2cccc(O)c2)c1,"InChI=1/C12H11NO2/c14-11-5-1-3-9(7-11)13-10-4-2-6-12(15)8-10/h1-8,13-15H",C12H11NO2,,,,,,JSQGOXTYKZBABW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.679,266-767-0,67601-05-2,"(-)-3,7-dimethyloct-6-enyl acetate","3,7-dimethyloct-6-en-1-yl acetate",CC(CCOC(=O)C)CCC=C(C)C,CC(CCOC(=O)C)CCC=C(C)C,"InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",C12H22O2,,,,,,JOZKFWLRHCDGJA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.685,266-773-3,67627-67-2,Barium (Z)-hexadec-9-enoate,barium dihexadec-9-enoate,[Ba+2].CCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCC\\C=C/CCCCCCCC(=O)[O-],[Ba+2].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C16H30O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H30O2.1/2Ba,,,,,,FSVULFSYGBYPJS-ATMONBRVSA-L,,,,,,,,,,,
100.060.686,266-774-9,67627-68-3,Calcium (Z)-hexadec-9-enoate,calcium dihexadec-9-enoate,[Ca+2].CCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCC\\C=C/CCCCCCCC(=O)[O-],[Ca+2].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C16H30O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H30O2.1/2Ca,,,,,,UPDJPSZNDASPIT-ATMONBRVSA-L,,,,,,,,,,,
100.060.692,266-781-7,67633-78-7,N-(2-hydroxyethyl)-N-[2-(stearoylamino)ethyl]stearamide monoacetate,N-(2-hydroxyethyl)-N-[2-(stearoylamino)ethyl]octadecanamide acetate (salt),CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C40H80N2O3.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)41-35-36-42(37-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h43H,3-38H2,1-2H3,(H,41,44);1H3,(H,3,4)",C40H80N2O3.C2H4O2,,,,,,NZALSSRPXOACPI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.695,266-784-3,67633-84-5,"Oleic acid, compound with N-methyldicyclohexylamine (1:1)",octadec-9-enoic acid - N-cyclohexyl-N-methylcyclohexanamine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CN(C1CCCCC1)C2CCCCC2,CCCCCCCC\C=C/CCCCCCCC(=O)O.CN(C1CCCCC1)C2CCCCC2,"InChI=1/C18H34O2.C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h9-10H,2-8,11-17H2,1H3,(H,19,20);12-13H,2-11H2,1H3",C18H34O2.C13H25N,,,,,,KXCCOLSKJMTKGD-KVVVOXFISA-N,,,,,,,,,,,
100.060.696,266-785-9,67633-85-6,"Oleic acid, compound with 1,4-diazabicyclo[2.2.2]octane (1:1)","octadec-9-enoic acid - 1,4-diazabicyclo[2.2.2]octane (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.C1CN2CCN1CC2,CCCCCCCC\C=C/CCCCCCCC(=O)O.C1CN2CCN1CC2,"InChI=1/C18H34O2.C6H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-8-5-3-7(1)4-6-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-6H2",C18H34O2.C6H12N2,,,,,,SUAAJVZCFQNMRS-KVVVOXFISA-N,,,,,,,,,,,
100.060.697,266-786-4,67633-86-7,"Octyl hydrogen sulphate, magnesium salt",-,[Mg+2].CCCCCCCCOS(=O)(=O)O,[Mg+2].CCCCCCCCOS(=O)(=O)O,"InChI=1/C8H18O4S.Mg/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+2",C8H18O4S.1/2Mg,,,,,,SANPQSMFQAAFPM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.699,266-789-0,67633-88-9,Ammonium octyl sulphate,ammonium octyl sulfate,[NH4+].CCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCOS(=O)(=O)[O-],"InChI=1/C8H18O4S.H3N/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);1H3",C8H18O4S.H3N,,,,,,PYWCSLGSEKAVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.704,266-794-8,67633-93-6,"6-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene","6-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",CCOC(OCC)C1CC2CC1C3CC=CC23,CCOC(OCC)C1CC2CC1C3CC=CC23,"InChI=1/C15H24O2/c1-3-16-15(17-4-2)14-9-10-8-13(14)12-7-5-6-11(10)12/h5-6,10-15H,3-4,7-9H2,1-2H3",C15H24O2,,,,,,MKDRAXRIIOTPLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.706,266-796-9,67633-95-8,1-hydroxydecan-3-one,1-hydroxydecan-3-one,CCCCCCCC(=O)CCO,CCCCCCCC(=O)CCO,"InChI=1/C10H20O2/c1-2-3-4-5-6-7-10(12)8-9-11/h11H,2-9H2,1H3",C10H20O2,,,,,,XDFCZUMLNOYOCH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.708,266-799-5,67633-97-0,3-mercaptopentan-2-one,3-sulfanylpentan-2-one,CCC(S)C(=O)C,CCC(S)C(=O)C,"InChI=1/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3",C5H10OS,,,,,,SZECUQRKLXRGSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.228,261-870-7,59707-21-0,"Dioctyl hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","dioctyl hydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCOP(=O)(O)OCCCCCCCC.OCCNCCO,CCCCCCCCOP(=O)(O)OCCCCCCCC.OCCNCCO,"InChI=1/C16H35O4P.C4H11NO2/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;6-3-1-5-2-4-7/h3-16H2,1-2H3,(H,17,18);5-7H,1-4H2",C16H35O4P.C4H11NO2,,,,,,XLSRZXPMHKCBMU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.957,261-573-2,59047-08-4,"2-chloro-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","2-chloro-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Cl)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Cl)OC(=O)C,"InChI=1/C25H29ClF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3",C25H29ClF2O7,,,,,,UMRUFBVWHMUYIH-HKXOFBAYSA-N,,,,,,,,,,,
100.055.958,261-574-8,59051-95-5,"(R*,R*)-S,S'-(2,3-diacetoxybutane-1,4-diyl) bis(thioacetate)","1,4-bis(acetylsulfanyl)butane-2,3-diyl diacetate",CC(=O)OC(CSC(=O)C)C(CSC(=O)C)OC(=O)C,CC(=O)OC(CSC(=O)C)C(CSC(=O)C)OC(=O)C,"InChI=1/C12H18O6S2/c1-7(13)17-11(5-19-9(3)15)12(18-8(2)14)6-20-10(4)16/h11-12H,5-6H2,1-4H3",C12H18O6S2,,,,,,ZAXMKKSKBGKALJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.962,261-579-5,59056-62-1,"Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl acetate","(7,7,8,8-tetramethyloctahydro-2,3b-methanocyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)methyl acetate",CC(=O)OCC1CCC(C)(C)C23CC4CC2C13C4(C)C,CC(=O)OCC1CCC(C)(C)C23CC4CC2C13C4(C)C,"InChI=1/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3",C18H28O2,,,,,,ANPXCNWSCGYEMA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.963,261-580-0,59056-64-3,"Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol","(7,7,8,8-tetramethyloctahydro-2,3b-methanocyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)methanol",CC1(C)CCC(CO)C23C4CC(CC124)C3(C)C,CC1(C)CCC(CO)C23C4CC(CC124)C3(C)C,"InChI=1/C16H26O/c1-13(2)6-5-10(9-17)16-12-7-11(14(16,3)4)8-15(12,13)16/h10-12,17H,5-9H2,1-4H3",C16H26O,,,,,,SJFICIAGRWSYBO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.964,261-581-6,59056-66-5,"Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-carbaldehyde","7,7,8,8-tetramethyloctahydro-2,3b-methanocyclopenta[1,3]cyclopropa[1,2]benzene-4-carbaldehyde",CC1(C)CCC(C=O)C23C4CC(CC124)C3(C)C,CC1(C)CCC(C=O)C23C4CC(CC124)C3(C)C,"InChI=1/C16H24O/c1-13(2)6-5-10(9-17)16-12-7-11(14(16,3)4)8-15(12,13)16/h9-12H,5-8H2,1-4H3",C16H24O,,,,,,DHERDKJNYUNHCB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.966,261-583-7,59056-71-2,"1-(1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8-yl)ethan-1-one","1-(1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalen-8-yl)ethanone",CC(=O)C1=C2C(C)(C)C3CCC2(C3)C(C)(C)CC1,CC(=O)C1=C2C(C)(C)C3CCC2(C3)C(C)(C)CC1,"InChI=1/C17H26O/c1-11(18)13-7-8-15(2,3)17-9-6-12(10-17)16(4,5)14(13)17/h12H,6-10H2,1-5H3",C17H26O,,,,,,QXNVTDHRJFBHMW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.968,261-585-8,59057-30-6,"(E)-(±)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol","3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol",CC1=C(C=CC(C)(O)C=C)C(C)(C)CCC1,CC1=C(C=CC(C)(O)C=C)C(C)(C)CCC1,"InChI=1/C15H24O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,9,11,16H,1,7-8,10H2,2-5H3",C15H24O,,,,,,PZGYHDPZANRCSM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.970,261-587-9,59068-03-0,"1,3-bis[(2-ethylhexyl)oxy]propan-2-ol","1,3-bis[(2-ethylhexyl)oxy]propan-2-ol",CCCCC(CC)COCC(O)COCC(CC)CCCC,CCCCC(CC)COCC(O)COCC(CC)CCCC,"InChI=1/C19H40O3/c1-5-9-11-17(7-3)13-21-15-19(20)16-22-14-18(8-4)12-10-6-2/h17-20H,5-16H2,1-4H3",C19H40O3,,,,,,PHAAUEVTVVDDGA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.971,261-588-4,59068-04-1,"2,3-bis[(2-ethylhexyl)oxy]propan-1-ol","2,3-bis[(2-ethylhexyl)oxy]propan-1-ol",CCCCC(CC)COCC(CO)OCC(CC)CCCC,CCCCC(CC)COCC(CO)OCC(CC)CCCC,"InChI=1/C19H40O3/c1-5-9-11-17(7-3)14-21-16-19(13-20)22-15-18(8-4)12-10-6-2/h17-20H,5-16H2,1-4H3",C19H40O3,,,,,,BRPQFUCEJUMNGY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.974,261-592-6,59083-36-2,1-benzyl-4-phenylpiperidine-4-methanol,(1-benzyl-4-phenylpiperidin-4-yl)methanol,OCC1(CCN(Cc2ccccc2)CC1)c3ccccc3,OCC1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C19H23NO/c21-16-19(18-9-5-2-6-10-18)11-13-20(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-16H2",C19H23NO,,,,,,BAWRMFFOXIGBQM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.976,261-594-7,59084-16-1,1-acetylpiperidine-4-carbonyl chloride,1-acetylpiperidine-4-carbonyl chloride,CC(=O)N1CCC(CC1)C(=O)Cl,CC(=O)N1CCC(CC1)C(=O)Cl,"InChI=1/C8H12ClNO2/c1-6(11)10-4-2-7(3-5-10)8(9)12/h7H,2-5H2,1H3",C8H12ClNO2,,,,,,OHCPVLJEAHBMEG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.977,261-595-2,59086-74-7,2-[(2-hydroxyethyl)amino]ethyl oleate,2-[(2-hydroxyethyl)amino]ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCNCCO,CCCCCCCC\C=C/CCCCCCCC(=O)OCCNCCO,"InChI=1/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h9-10,23-24H,2-8,11-21H2,1H3",C22H43NO3,,,,,,UHEVUYWIUKQMTJ-KTKRTIGZSA-N,,,,,,,,,,,
100.058.135,263-969-0,63149-81-5,Dinitrooctylphenol,"2-(1,1-dinitrooctyl)phenol",CCCCCCCC(c1ccccc1O)([N+](=O)[O-])[N+](=O)[O-],CCCCCCCC(c1ccccc1O)([N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H20N2O5/c1-2-3-4-5-8-11-14(15(18)19,16(20)21)12-9-6-7-10-13(12)17/h6-7,9-10,17H,2-5,8,11H2,1H3",C14H20N2O5,,,,,,DAMBYUVLKXLFHA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.137,263-971-1,63150-17-4,4-chloro-3-methylbut-1-yne,4-chloro-3-methylbut-1-yne,CC(CCl)C#C,CC(CCl)C#C,"InChI=1/C5H7Cl/c1-3-5(2)4-6/h1,5H,4H2,2H3",C5H7Cl,,,,,,UTRVPGKFJHDJKE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.139,263-973-2,63156-60-5,"2,3-dihydro-2-methyl-1H-[1,2,4]triazolo[1,2-a]pyridazine-5,8-dione","2-methyl-2,3-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5,8-dione",CN1CN2N(C1)C(=O)C=CC2=O,CN1CN2N(C1)C(=O)C=CC2=O,"InChI=1/C7H9N3O2/c1-8-4-9-6(11)2-3-7(12)10(9)5-8/h2-3H,4-5H2,1H3",C7H9N3O2,,,,,,XQSUEXLASYFQSF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.459,265-424-2,65104-50-9,Tris(2-hydroxyethyl)ammonium methyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium methyl sulfate",COS(=O)(=O)[O-].OCC[NH+](CCO)CCO,COS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C6H15NO3.CH4O4S/c8-4-1-7(2-5-9)3-6-10;1-5-6(2,3)4/h8-10H,1-6H2;1H3,(H,2,3,4)",C6H15NO3.CH4O4S,,,,,,HNISBEDGGYMSJH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.461,265-426-3,65104-55-4,Diammonium tetradecyl phosphate,diammonium tetradecyl phosphate,[NH4+].[NH4+].CCCCCCCCCCCCCCOP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C14H31O4P.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;;/h2-14H2,1H3,(H2,15,16,17);2*1H3",C14H31O4P.2H3N,,,,,,WPAXGYKRBMROIL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.464,265-430-5,65104-58-7,Ammonium tetradecyl hydrogen phosphate,ammonium tetradecyl hydrogen phosphate,[NH4+].OP([O-])(=O)OCCCCCCCCCCCCCC,[NH4+].OP([O-])(=O)OCCCCCCCCCCCCCC,"InChI=1/C14H31O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);1H3",C14H31O4P.H3N,,,,,,OYGLWHQYRAHRNH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.469,265-435-2,65104-63-4,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-heptatriacontafluoro-20-iodoicosane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-heptatriacontafluoro-20-iodoicosane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C20H4F37I/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h1-2H2",C20H4F37I,,,,,,ZVYZCXJEWPRVAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.470,265-436-8,65104-64-5,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C23H7F37O2/c1-2-5(61)62-4-3-6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)20(52,53)21(54,55)22(56,57)23(58,59)60/h2H,1,3-4H2",C23H7F37O2,,,,,,FXIGCVJVDAFVIC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.475,265-442-0,65104-94-1,Dihexadecadienyl hydrogen phosphate,"dihexadeca-1,3-dien-1-yl hydrogen phosphate",OP(=O)(OC=CC=CCCCCCCCCCCCC)OC=CC=CCCCCCCCCCCCC,OP(=O)(OC=CC=CCCCCCCCCCCCC)OC=CC=CCCCCCCCCCCCC,"InChI=1/C32H59O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3,(H,33,34)",C32H59O4P,,,,,,LTAALYVRXZBFCG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.483,265-450-4,65113-95-3,"3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one","3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one",CC(=CCC1C\\C=C(\\C)C1(C)C)C(C)=O,CC(=CCC1C\C=C(\C)C1(C)C)C(C)=O,"InChI=1/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,13H,8-9H2,1-5H3",C14H22O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6234,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.483,QQUWZMIGSXXJFV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.144,261-778-7,59472-06-9,1-hydroperoxy-4-methylpentan-2-one,1-hydroperoxy-4-methylpentan-2-one,CC(C)CC(=O)COO,CC(C)CC(=O)COO,"InChI=1/C6H12O3/c1-5(2)3-6(7)4-9-8/h5,8H,3-4H2,1-2H3",C6H12O3,,,,,,WIJQJQZZCNTOCF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.145,261-779-2,59473-45-9,1-(chloromethyl)-2-iodobenzene,1-(chloromethyl)-2-iodobenzene,ClCc1ccccc1I,ClCc1ccccc1I,"InChI=1/C7H6ClI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",C7H6ClI,,,,,,FTMNWZHKQGKKAU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.149,261-783-4,59485-34-6,"O,o'-dibromobibenzyl","1,1'-ethane-1,2-diylbis(2-bromobenzene)",Brc1ccccc1CCc2ccccc2Br,Brc1ccccc1CCc2ccccc2Br,"InChI=1/C14H12Br2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2",C14H12Br2,,,,,,CVGGCYQDKJYOCA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.154,261-789-7,59496-23-0,4-[(ethylamino)methyl]-2-methyl-5-[(methylthio)methyl]pyridin-3-ol dihydrochloride,4-[(ethylamino)methyl]-2-methyl-5-[(methylsulfanyl)methyl]pyridin-3-ol dihydrochloride,Cl.Cl.CCNCc1c(CSC)cnc(C)c1O,Cl.Cl.CCNCc1c(CSC)cnc(C)c1O,"InChI=1/C11H18N2OS.2ClH/c1-4-12-6-10-9(7-15-3)5-13-8(2)11(10)14;;/h5,12,14H,4,6-7H2,1-3H3;2*1H",C11H18N2OS.2ClH,,,,,,TYNOKGPWHONZDV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.156,261-791-8,59504-34-6,1-(4-methyl-2-nitrophenyl)pyrrolidine,1-(4-methyl-2-nitrophenyl)pyrrolidine,Cc1ccc(N2CCCC2)c(c1)[N+](=O)[O-],Cc1ccc(N2CCCC2)c(c1)[N+](=O)[O-],"InChI=1/C11H14N2O2/c1-9-4-5-10(11(8-9)13(14)15)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3",C11H14N2O2,,,,,,VQVVPXREFQQTBV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.160,261-796-5,59528-04-0,"4-(2,5-dimethoxyphenyl)azo]-N,N-dimethylaniline","4-[(2,5-dimethoxyphenyl)diazenyl]-N,N-dimethylaniline",COc1ccc(OC)c(c1)N=Nc2ccc(cc2)N(C)C,COc1ccc(OC)c(c1)N=Nc2ccc(cc2)N(C)C,"InChI=1/C16H19N3O2/c1-19(2)13-7-5-12(6-8-13)17-18-15-11-14(20-3)9-10-16(15)21-4/h5-11H,1-4H3",C16H19N3O2,,,,,,FSHFBXAKOWSXJE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.260,259-705-9,55553-86-1,Potassium 3-methylbutan-2-olate,potassium 3-methylbutan-2-olate,[K+].CC(C)C(C)[O-],[K+].CC(C)C(C)[O-],"InChI=1/C5H11O.K/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1",C5H12O.K,,,,,,DMERGXDBCIXRCA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.269,259-715-3,55589-62-3,"6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt",-,[K+].CC1=CC(=O)NS(=O)(=O)O1,[K+].CC1=CC(=O)NS(=O)(=O)O1,"InChI=1/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1",C4H5NO4S.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10775,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.269,WBZFUFAFFUEMEI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.279,259-726-3,55619-22-2,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulphonyl)-2-methoxybenzamide hydrochloride,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide hydrochloride,Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC,Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC,"InChI=1/C17H26N2O4S.ClH/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3;/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);1H",C17H26N2O4S.xClH,,,,,,IGOWMQPOGQYFFM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.285,259-733-1,55635-13-7,"Methyl 5-[1-[(allyloxy)imino]butyl]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, sodium salt",-,[Na+].CC1(C)CC(=O)C(C(=O)C1C(=O)OC)C(CCC)=NOCC=C,[Na+].CC1(C)CC(=O)C(C(=O)C1C(=O)OC)C(CCC)=NOCC=C,"InChI=1/C17H25NO5.Na/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5;/h7,13-14H,2,6,8-10H2,1,3-5H3;/q;+1",C17H24NO5.Na,,,,,,MDJOAYPKUQORBI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.288,259-736-8,55645-40-4,Erythro-N-benzyl-3-(benzylamino)aspartic acid,N-benzyl-3-(benzylamino)aspartic acid,OC(=O)C(NCc1ccccc1)C(NCc2ccccc2)C(=O)O,OC(=O)C(NCc1ccccc1)C(NCc2ccccc2)C(=O)O,"InChI=1/C18H20N2O4/c21-17(22)15(19-11-13-7-3-1-4-8-13)16(18(23)24)20-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24)",C18H20N2O4,,,,,,FZEXWQSUEVTZEC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.095,251-821-8,34079-63-5,"Fructose, 1-(dihydrogen phosphate), barium salt, d-","[1-O-(phosphono-kappa~2~O,O')hex-2-ulosato(2-)]barium",OCC(O)C(O)C(O)C(=O)COP1(=O)O[Ba]O1,OCC(O)C(O)C(O)C(=O)COP1(=O)O[Ba]O1,"InChI=1/C6H13O9P.Ba/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h3,5-8,10-11H,1-2H2,(H2,12,13,14);/q;+2/p-2/rC6H11BaO9P/c8-1-3(9)5(11)6(12)4(10)2-14-17(13)15-7-16-17/h3,5-6,8-9,11-12H,1-2H2",C6H13O9P.xBa,,,,,,PVYXSCGRJSOHGH-UHFFFAOYSA-L,,,,,,,,,,,
100.047.101,251-828-6,34104-15-9,"[2S-(2a,4ß,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide","3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide",CC1(C)C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S1=O)C(=O)O,CC1(C)C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S1=O)C(=O)O,"InChI=1/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C16H18N2O5S,,,,,,FCZNNHHXCFARDY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.103,251-830-7,34114-36-8,"1-amino-9,10-dihydro-9,10-dioxo-4-o-toluidinoanthracene-2-sulphonic acid","1-amino-4-[(2-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1ccccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O,Cc1ccccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O,"InChI=1/C21H16N2O5S/c1-11-6-2-5-9-14(11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)12-7-3-4-8-13(12)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)",C21H16N2O5S,,,,,,IDRCEVKPWMZGEN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.107,251-834-9,34123-50-7,2-chloro-4-isocyanato-1-(1-methylethyl)benzene,2-chloro-4-isocyanato-1-isopropylbenzene,CC(C)c1ccc(cc1Cl)N=C=O,CC(C)c1ccc(cc1Cl)N=C=O,"InChI=1/C10H10ClNO/c1-7(2)9-4-3-8(12-6-13)5-10(9)11/h3-5,7H,1-2H3",C10H10ClNO,,,,,,ATVMYSGNLDWVSC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.112,251-840-1,34131-98-1,"3,4,4a,5,6,7,8,8a-octahydro-6-isopropylnaphthalene-2(1H)-one",6-isopropyloctahydronaphthalen-2(1H)-one,CC(C)C1CCC2CC(=O)CCC2C1,CC(C)C1CCC2CC(=O)CCC2C1,"InChI=1/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3",C13H22O,,,,,,HEKJOMVJRYMUDB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.118,251-846-4,34140-91-5,"Oleic acid, compound with (Z)-N-octadec-9-enylpropane-1,3-diamine (2:1)","octadec-9-enoic acid - N-octadec-9-en-1-ylpropane-1,3-diamine (2:1)",CCCCCCCC\\C=C/CCCCCCCCNCCCN.CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCC\C=C/CCCCCCCCNCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C21H44N2.2C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;2*9-10H,2-8,11-17H2,1H3,(H,19,20)",C21H44N2.2C18H34O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11576,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.118,VTXWSJAEIWTHCL-DJNDIFCPSA-N,,,,,,,,,,,
100.047.121,251-850-6,34145-05-6,"2,5-dichlorobenzylic alcohol","(2,5-dichlorophenyl)methanol",OCc1cc(Cl)ccc1Cl,OCc1cc(Cl)ccc1Cl,"InChI=1/C7H6Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2",C7H6Cl2O,,,,,,LCEIGNVIDJNUGF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.122,251-851-1,34146-55-9,(Z)-hept-4-en-2-ol,hept-4-en-2-ol,CC\\C=C/CC(C)O,CC\C=C/CC(C)O,"InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3",C7H14O,,,,,,KZUFTCBJDQXWOJ-PLNGDYQASA-N,,,,,,,,,,,
100.047.252,251-993-4,34395-72-7,N-[3-(dodecylamino)propyl]glycine,N-[3-(dodecylamino)propyl]glycine,CCCCCCCCCCCCNCCCNCC(=O)O,CCCCCCCCCCCCNCCCNCC(=O)O,"InChI=1/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21/h18-19H,2-16H2,1H3,(H,20,21)",C17H36N2O2,,,,,,FDKNTODVCFVEDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.233,261-875-4,59709-42-1,"3-(2,3-dihydroxypropoxy)-2-hydroxypropyl acetate","3-(2,3-dihydroxypropoxy)-2-hydroxypropyl acetate",CC(=O)OCC(O)COCC(O)CO,CC(=O)OCC(O)COCC(O)CO,"InChI=1/C8H16O6/c1-6(10)14-5-8(12)4-13-3-7(11)2-9/h7-9,11-12H,2-5H2,1H3",C8H16O6,,,,,,YAXKICQBFWUCLI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.239,261-882-2,59720-00-2,Tris(tridecyl) borate,tritridecyl borate,CCCCCCCCCCCCCOB(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOB(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC,"InChI=1/C39H81BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-41-40(42-38-35-32-29-26-23-20-17-14-11-8-5-2)43-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3",C39H81BO3,,,,,,VDIBRAAMAUQZOL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.243,261-886-4,59726-40-8,Diethyl allylisobutylmalonate,diethyl allyl(isobutyl)malonate,CCOC(=O)C(CC=C)(CC(C)C)C(=O)OCC,CCOC(=O)C(CC=C)(CC(C)C)C(=O)OCC,"InChI=1/C14H24O4/c1-6-9-14(10-11(4)5,12(15)17-7-2)13(16)18-8-3/h6,11H,1,7-10H2,2-5H3",C14H24O4,,,,,,QCQKKJOWCKVCLE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.245,261-889-0,59726-51-1,3-heptyltetrahydro-2H-pyran-2-one,3-heptyltetrahydro-2H-pyran-2-one,CCCCCCCC1CCCOC1=O,CCCCCCCC1CCCOC1=O,"InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-14-12(11)13/h11H,2-10H2,1H3",C12H22O2,,,,,,ZJILLWFVFFEWCR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.878,263-686-2,62669-66-3,"9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate","9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthenium perchlorate",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)O)c2cc1C.[O-]Cl(=O)(=O)=O,CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)O)c2cc1C.[O-]Cl(=O)(=O)=O,"InChI=1/C26H26N2O3.ClHO4/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23;2-1(3,4)5/h7-14,27-28H,5-6H2,1-4H3;(H,2,3,4,5)",C26H27N2O3.ClO4,,,,,,FPULXSKZHJZMJW-UHFFFAOYSA-M,,,,,,,,,,,
100.057.882,263-690-4,62680-74-4,4-(but-3-en-1-yloxycarbonyl)benzoic acid,4-[(but-3-en-1-yloxy)carbonyl]benzoic acid,OC(=O)c1ccc(cc1)C(=O)OCCC=C,OC(=O)c1ccc(cc1)C(=O)OCCC=C,"InChI=1/C12H12O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h2,4-7H,1,3,8H2,(H,13,14)",C12H12O4,,,,,,TYARZXLQTHCHIP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.883,263-692-5,62681-96-3,"2-(2-fluorophenyl)-5-phenyl-1,3,4-oxadiazole","2-(2-fluorophenyl)-5-phenyl-1,3,4-oxadiazole",Fc1ccccc1c2oc(nn2)c3ccccc3,Fc1ccccc1c2oc(nn2)c3ccccc3,InChI=1/C14H9FN2O/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H,C14H9FN2O,,,,,,LYXDSVMNYMSWLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.884,263-693-0,62681-97-4,"2-(3-fluorophenyl)-5-phenyl-1,3,4-oxadiazole","2-(3-fluorophenyl)-5-phenyl-1,3,4-oxadiazole",Fc1cccc(c1)c2oc(nn2)c3ccccc3,Fc1cccc(c1)c2oc(nn2)c3ccccc3,InChI=1/C14H9FN2O/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9H,C14H9FN2O,,,,,,QDROCLXUUMLOEK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.295,265-244-4,64825-20-3,2-ethylidenedecan-1-al,2-ethylidenedecanal,CC=C(CCCCCCCC)C=O,CC=C(CCCCCCCC)C=O,"InChI=1/C12H22O/c1-3-5-6-7-8-9-10-12(4-2)11-13/h4,11H,3,5-10H2,1-2H3",C12H22O,,,,,,PGYTZFGVMAOYMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.308,265-259-6,64864-09-1,Dipotassium ethyl phosphate,dipotassium ethyl phosphate,[K+].[K+].CCOP(=O)([O-])[O-],[K+].[K+].CCOP(=O)([O-])[O-],"InChI=1/C2H7O4P.2K/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);;/q;2*+1/p-2",C2H7O4P.2K,,,,,,HEUAXSYUYZUAJZ-UHFFFAOYSA-L,,,,,,,,,,,
100.059.312,265-263-8,64887-40-7,3-benzoxazol-2-yl-7-hydroxy-1-benzopyran-2(2H)-one,"3-(1,3-benzoxazol-2-yl)-7-hydroxy-2H-chromen-2-one",Oc1ccc2C=C(C(=O)Oc2c1)c3oc4ccccc4n3,Oc1ccc2C=C(C(=O)Oc2c1)c3oc4ccccc4n3,"InChI=1/C16H9NO4/c18-10-6-5-9-7-11(16(19)21-14(9)8-10)15-17-12-3-1-2-4-13(12)20-15/h1-8,18H",C16H9NO4,,,,,,IKLXGICISXJRPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.314,265-265-9,64894-46-8,N'-[3-(trimethoxysilyl)propyl]-N-[(vinylphenyl)methyl]ethylenediamine hydrochloride,"N-[3-(trimethoxysilyl)propyl]-N'-(2-vinylbenzyl)ethane-1,2-diamine hydrochloride",Cl.CO[Si](CCCNCCNCc1ccccc1C=C)(OC)OC,Cl.CO[Si](CCCNCCNCc1ccccc1C=C)(OC)OC,"InChI=1/C17H30N2O3Si.ClH/c1-5-16-9-6-7-10-17(16)15-19-13-12-18-11-8-14-23(20-2,21-3)22-4;/h5-7,9-10,18-19H,1,8,11-15H2,2-4H3;1H",C17H30N2O3Si.xClH,,,,,,MYWJOHLSXLTXCV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.315,265-266-4,64897-90-1,"2,2'-[(2-hydroxyethyl)imino]bisethyl 1,1'-diacetate","[(2-hydroxyethyl)imino]diethane-2,1-diyl diacetate",CC(=O)OCCN(CCO)CCOC(=O)C,CC(=O)OCCN(CCO)CCOC(=O)C,"InChI=1/C10H19NO5/c1-9(13)15-7-4-11(3-6-12)5-8-16-10(2)14/h12H,3-8H2,1-2H3",C10H19NO5,,,,,,NBNYBDWTJKPKGR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.316,265-268-5,64902-72-3,"2-chloro-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]benzenesulphonamide","2-chloro-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide",COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,"InChI=1/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)",C12H12ClN5O4S,,,,,,VJYIFXVZLXQVHO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.318,265-270-6,64909-33-7,3-chloro-4-(dimethylamino)benzenediazonium tetrafluoroborate,3-chloro-4-(dimethylamino)benzenediazonium tetrafluoroborate,CN(C)c1ccc(cc1Cl)[N+]#N.F[B-](F)(F)F,CN(C)c1ccc(cc1Cl)[N+]#N.F[B-](F)(F)F,"InChI=1/C8H9ClN3.BF4/c1-12(2)8-4-3-6(11-10)5-7(8)9;2-1(3,4)5/h3-5H,1-2H3;/q+1;-1",C8H9ClN3.BF4,,,,,,IDACRSRWLVEBGV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.143,263-977-4,63163-95-1,5-amino-1-hydroxy-2-naphthoic acid hydrochloride,5-amino-1-hydroxy-2-naphthoic acid hydrochloride,Cl.Nc1cccc2c(O)c(ccc12)C(=O)O,Cl.Nc1cccc2c(O)c(ccc12)C(=O)O,"InChI=1/C11H9NO3.ClH/c12-9-3-1-2-7-6(9)4-5-8(10(7)13)11(14)15;/h1-5,13H,12H2,(H,14,15);1H",C11H9NO3.ClH,,,,,,ULZYRKCOTDYLEC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.148,263-983-7,63175-99-5,Sodium 2-(octylphenoxy)ethyl sulphate,sodium 2-(2-octylphenoxy)ethyl sulfate,[Na+].CCCCCCCCc1ccccc1OCCOS(=O)(=O)[O-],[Na+].CCCCCCCCc1ccccc1OCCOS(=O)(=O)[O-],"InChI=1/C16H26O5S.Na/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)20-13-14-21-22(17,18)19;/h8-9,11-12H,2-7,10,13-14H2,1H3,(H,17,18,19);/q;+1/p-1",C16H26O5S.Na,,,,,,FPFWMMGWQNAYFN-UHFFFAOYSA-M,,,,,,,,,,,
100.058.164,264-000-4,63215-85-0,(R)-4-methylhex-5-enal,4-methylhex-5-enal,C[C@H](CCC=O)C=C,C[C@H](CCC=O)C=C,"InChI=1/C7H12O/c1-3-7(2)5-4-6-8/h3,6-7H,1,4-5H2,2H3",C7H12O,,,,,,ONNBZNJCHJAMQS-ZETCQYMHSA-N,,,,,,,,,,,
100.058.165,264-002-5,63216-83-1,5-[(4-amino-5-methoxy-o-tolyl)azo]-2-methoxybenzenesulphonic acid,5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzenesulfonic acid,Nc1cc(C)c(cc1OC)N=Nc2ccc(OC)c(c2)S(O)(=O)=O,Nc1cc(C)c(cc1OC)N=Nc2ccc(OC)c(c2)S(O)(=O)=O,"InChI=1/C15H17N3O5S/c1-9-6-11(16)14(23-3)8-12(9)18-17-10-4-5-13(22-2)15(7-10)24(19,20)21/h4-8H,16H2,1-3H3,(H,19,20,21)",C15H17N3O5S,,,,,,IEZSGDNUYFXTGX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.168,264-005-1,63216-87-5,"2,2'-[(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)diimino]bis(2-oxoacetic) acid","2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,8-diyl)diimino]bis(oxoacetic acid)",OC(=O)C(=O)Nc1cccc2C(=O)c3cccc(NC(=O)C(=O)O)c3C(=O)c12,OC(=O)C(=O)Nc1cccc2C(=O)c3cccc(NC(=O)C(=O)O)c3C(=O)c12,"InChI=1/C18H10N2O8/c21-13-7-3-1-5-9(19-15(23)17(25)26)11(7)14(22)12-8(13)4-2-6-10(12)20-16(24)18(27)28/h1-6H,(H,19,23)(H,20,24)(H,25,26)(H,27,28)",C18H10N2O8,,,,,,XJRBIGZLFUAVPW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.169,264-006-7,63216-88-6,"2,2'-thiobis(5-nitrobenzenesulphonic) acid","2,2'-sulfanediylbis(5-nitrobenzenesulfonic acid)",OS(=O)(=O)c1cc(ccc1Sc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],OS(=O)(=O)c1cc(ccc1Sc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H8N2O10S3/c15-13(16)7-1-3-9(11(5-7)26(19,20)21)25-10-4-2-8(14(17)18)6-12(10)27(22,23)24/h1-6H,(H,19,20,21)(H,22,23,24)",C12H8N2O10S3,,,,,,LVUFXZAHTLUDST-UHFFFAOYSA-N,,,,,,,,,,,
100.059.520,265-491-8,65122-46-5,"4-[(m-aminophenyl)azo]benzene-1,3-diamine hydroxyacetate","hydroxyacetic acid - 4-[(3-aminophenyl)diazenyl]benzene-1,3-diamine (1:1)",OC(=O)CO.Nc2cccc(N=Nc1ccc(N)cc1N)c2,OC(=O)CO.Nc2cccc(N=Nc1ccc(N)cc1N)c2,"InChI=1/C12H13N5.C2H4O3/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15;3-1-2(4)5/h1-7H,13-15H2;3H,1H2,(H,4,5)",C12H13N5.C2H4O3,,,,,,ZYRMZFNQPOIEIS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.525,265-497-0,65135-27-5,"(R)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-ß-alanine, magnesium salt",-,[Mg+2].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],[Mg+2].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],"InChI=1/C9H17NO5.Mg/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+2/p-1",C9H17NO5.xMg,,,,,,KHSDAPFJBGHTQN-FJXQXJEOSA-M,,,,,,,,,,,
100.059.532,265-504-7,65138-75-2,Diammonium dodecyl phosphate,diammonium dodecyl phosphate,[NH4+].[NH4+].CCCCCCCCCCCCOP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C12H27O4P.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h2-12H2,1H3,(H2,13,14,15);2*1H3",C12H27O4P.2H3N,,,,,,OEGDRYRDQUBDHT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.533,265-505-2,65138-76-3,Ammonium dodecyl hydrogen phosphate,ammonium dodecyl hydrogen phosphate,[NH4+].OP([O-])(=O)OCCCCCCCCCCCC,[NH4+].OP([O-])(=O)OCCCCCCCCCCCC,"InChI=1/C12H27O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);1H3",C12H27O4P.H3N,,,,,,HLBZVTBNCQMIBO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.540,265-513-6,65141-45-9,N-[2-(nitrooxy)ethyl]nicotinamide monohydrochloride,2-[(pyridin-3-ylcarbonyl)amino]ethyl nitrate hydrochloride,Cl.O=C(NCCO[N+]([O-])=O)c1cccnc1,Cl.O=C(NCCO[N+]([O-])=O)c1cccnc1,"InChI=1/C8H9N3O4.ClH/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14;/h1-3,6H,4-5H2,(H,10,12);1H",C8H9N3O4.ClH,,,,,,JAOVSCYJFMHGEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.550,265-524-6,65150-93-8,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C21H7F33O2/c1-2-5(55)56-4-3-6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)16(42,43)17(44,45)18(46,47)19(48,49)20(50,51)21(52,53)54/h2H,1,3-4H2",C21H7F33O2,,,,,,UNWCENHMZWUSOR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.170,261-806-8,59564-78-2,"1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid","1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid",OC(=O)C1C(N(Cc2ccccc2)C(=O)N1Cc3ccccc3)C(=O)O,OC(=O)C1C(N(Cc2ccccc2)C(=O)N1Cc3ccccc3)C(=O)O,"InChI=1/C19H18N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,23)(H,24,25)",C19H18N2O5,,,,,,QSMUFXXTSUEZJA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.171,261-807-3,59566-50-6,4-[2-(2-pyridyl)ethyl]morpholine,4-(2-pyridin-2-ylethyl)morpholine,C(Cc1ccccn1)N2CCOCC2,C(Cc1ccccn1)N2CCOCC2,"InChI=1/C11H16N2O/c1-2-5-12-11(3-1)4-6-13-7-9-14-10-8-13/h1-3,5H,4,6-10H2",C11H16N2O,,,,,,GRKACIXCRNRVBC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.176,261-813-6,59572-08-6,"Benzyl 3-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridyl]azo]phenyl carbonate","benzyl 3-{[5-cyano-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazenyl}phenyl carbonate",O=C(OCc1ccccc1)Oc2cccc(c2)N=N/C3=C(\\O)N(CCCOC)C(=O)C(/C#N)=C3/C,O=C(OCc1ccccc1)Oc2cccc(c2)N=N/C3=C(\O)N(CCCOC)C(=O)C(/C#N)=C3/C,"InChI=1/C25H24N4O6/c1-17-21(15-26)23(30)29(12-7-13-33-2)24(31)22(17)28-27-19-10-6-11-20(14-19)35-25(32)34-16-18-8-4-3-5-9-18/h3-6,8-11,14,31H,7,12-13,16H2,1-2H3",C25H24N4O6,,,,,,FFGUZBXMSRYUGW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.177,261-814-1,59576-30-6,2-methyl-1-(2-pyridyl)propan-1-one,2-methyl-1-pyridin-2-ylpropan-1-one,CC(C)C(=O)c1ccccn1,CC(C)C(=O)c1ccccn1,"InChI=1/C9H11NO/c1-7(2)9(11)8-5-3-4-6-10-8/h3-7H,1-2H3",C9H11NO,,,,,,OPPJOYDMQXHCFS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.183,261-820-4,59597-61-4,4-[(4-methoxyphenyl)amino]benzenediazonium tetrachlorozincate (2:1),bis{4-[(4-methoxyphenyl)amino]benzenediazonium} tetrachlorozincate(2-),COc1ccc(Nc2ccc(cc2)[N+]#N)cc1.COc3ccc(Nc4ccc(cc4)[N+]#N)cc3.Cl[Zn-2](Cl)(Cl)Cl,COc1ccc(Nc2ccc(cc2)[N+]#N)cc1.COc3ccc(Nc4ccc(cc4)[N+]#N)cc3.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C13H12N3O.4ClH.Zn/c2*1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;;;;;/h2*2-9,15H,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C13H12N3O.Cl4Zn/c2*1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;1-5(2,3)4/h2*2-9,15H,1H3;/q2*+1;-2",C13H12N3O.1/2Cl4Zn,,,,,,JUCAYNIPPQKYEA-UHFFFAOYSA-J,,,,,,,,,,,
100.057.563,263-339-5,61931-82-6,"N-(1,3-dimethylbutyl)-N-phenylbenzene-1,4-diamine","N-(1,3-dimethylbutyl)-N-phenylbenzene-1,4-diamine",CC(C)CC(C)N(c1ccccc1)c2ccc(N)cc2,CC(C)CC(C)N(c1ccccc1)c2ccc(N)cc2,"InChI=1/C18H24N2/c1-14(2)13-15(3)20(17-7-5-4-6-8-17)18-11-9-16(19)10-12-18/h4-12,14-15H,13,19H2,1-3H3",C18H24N2,,,,,,KZTCAXCBXSIQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.566,263-342-1,61931-86-0,Methyl 2-phenylthio-6-quinolyl ether,6-methoxy-2-(phenylsulfanyl)quinoline,COc1ccc2nc(Sc3ccccc3)ccc2c1,COc1ccc2nc(Sc3ccccc3)ccc2c1,"InChI=1/C16H13NOS/c1-18-13-8-9-15-12(11-13)7-10-16(17-15)19-14-5-3-2-4-6-14/h2-11H,1H3",C16H13NOS,,,,,,APNJFVPUIDYMQH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.568,263-344-2,61948-85-4,"3,4,5-trimethoxyanthranilic acid","2-amino-3,4,5-trimethoxybenzoic acid",COc1cc(C(=O)O)c(N)c(OC)c1OC,COc1cc(C(=O)O)c(N)c(OC)c1OC,"InChI=1/C10H13NO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,11H2,1-3H3,(H,12,13)",C10H13NO5,,,,,,JSHSRQCOCMIIPA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.578,263-355-2,61961-10-2,"Isopropyl 2-(2,4-dichlorophenoxy)propionate","isopropyl 2-(2,4-dichlorophenoxy)propanoate",CC(C)OC(=O)C(C)Oc1ccc(Cl)cc1Cl,CC(C)OC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C12H14Cl2O3/c1-7(2)16-12(15)8(3)17-11-5-4-9(13)6-10(11)14/h4-8H,1-3H3",C12H14Cl2O3,,,,,,XHHBHDZZDQFOBK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.580,263-357-3,61966-14-1,2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]benzenediazonium tetrachlorozincate (2:1),bis{2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium} tetrachlorozincate(2-),COc2cc(N=Nc1ccc(C)cc1[N+]([O-])=O)c(C)cc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c2cc(C)ccc2N=Nc1cc(OC)c([N+]#N)cc1C,COc2cc(N=Nc1ccc(C)cc1[N+]([O-])=O)c(C)cc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c2cc(C)ccc2N=Nc1cc(OC)c([N+]#N)cc1C,"InChI=1/2C15H14N5O3.4ClH.Zn/c2*1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2;;;;;/h2*4-8H,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C15H14N5O3.Cl4Zn/c2*1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2;1-5(2,3)4/h2*4-8H,1-3H3;/q2*+1;-2",C15H14N5O3.1/2Cl4Zn,,,,,,VUFIPLOIANLIBR-UHFFFAOYSA-J,,,,,,,,,,,
100.057.585,263-363-6,61994-66-9,2-[ethyl[3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]ethanol,2-(ethyl{3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethanol,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CCO)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CCO)cc2,"InChI=1/C17H20N4O3/c1-3-20(10-11-22)16-8-9-17(13(2)12-16)19-18-14-4-6-15(7-5-14)21(23)24/h4-9,12,22H,3,10-11H2,1-2H3",C17H20N4O3,,,,,,VIPATEVXXXQLLF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.595,263-374-6,62012-51-5,"4,4',5,5'-tetramethoxy-2,2'-dimethyl-1,1'-biphenyl","4,4',5,5'-tetramethoxy-2,2'-dimethylbiphenyl",COc1cc(C)c(cc1OC)c2cc(OC)c(OC)cc2C,COc1cc(C)c(cc1OC)c2cc(OC)c(OC)cc2C,"InChI=1/C18H22O4/c1-11-7-15(19-3)17(21-5)9-13(11)14-10-18(22-6)16(20-4)8-12(14)2/h7-10H,1-6H3",C18H22O4,,,,,,BYUPFZBHZMJFLY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.600,263-379-3,62034-03-1,"1,5,5-trimethylbicyclo[2.2.1]hept-2-yl acetate","1,5,5-trimethylbicyclo[2.2.1]hept-2-yl acetate",CC(=O)OC1CC2CC1(C)CC2(C)C,CC(=O)OC1CC2CC1(C)CC2(C)C,"InChI=1/C12H20O2/c1-8(13)14-10-5-9-6-12(10,4)7-11(9,2)3/h9-10H,5-7H2,1-4H3",C12H20O2,,,,,,LHDGZUJXYWVZNA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.256,251-998-1,34402-56-7,"1,3-bis(2,2,6,6-tetramethyl-4-piperidyl)urea","1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)urea",CC1(C)CC(CC(C)(C)N1)NC(=O)NC2CC(C)(C)NC(C)(C)C2,CC1(C)CC(CC(C)(C)N1)NC(=O)NC2CC(C)(C)NC(C)(C)C2,"InChI=1/C19H38N4O/c1-16(2)9-13(10-17(3,4)22-16)20-15(24)21-14-11-18(5,6)23-19(7,8)12-14/h13-14,22-23H,9-12H2,1-8H3,(H2,20,21,24)",C19H38N4O,,,,,,DDZKTVIFMVNQSK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.261,252-003-3,34414-83-0,(L)-ornithine 2-oxoglutarate,2-oxopentanedioic acid - L-ornithine (1:1),NCCC[C@H](N)C(=O)O.OC(=O)CCC(=O)C(=O)O,NCCC[C@H](N)C(=O)O.OC(=O)CCC(=O)C(=O)O,"InChI=1/C5H12N2O2.C5H6O5/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);1-2H2,(H,7,8)(H,9,10)",C5H12N2O2.xC5H6O5,,,,,,SLPUVFBNQHVEEU-WCCKRBBISA-N,,,,,,,,,,,
100.061.348,267-503-7,67874-75-3,4-allyl-5-(tert-butyl)-2-methoxyphenol,4-allyl-5-tert-butyl-2-methoxyphenol,COc1cc(CC=C)c(cc1O)C(C)(C)C,COc1cc(CC=C)c(cc1O)C(C)(C)C,"InChI=1/C14H20O2/c1-6-7-10-8-13(16-5)12(15)9-11(10)14(2,3)4/h6,8-9,15H,1,7H2,2-5H3",C14H20O2,,,,,,DNDJANVQFAOBRN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.350,267-505-8,67874-77-5,"3,7-dimethyloctyl phenylacetate","3,7-dimethyloctyl phenylacetate",CC(C)CCCC(C)CCOC(=O)Cc1ccccc1,CC(C)CCCC(C)CCOC(=O)Cc1ccccc1,"InChI=1/C18H28O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3",C18H28O2,,,,,,ZLNHKBABSKKKMS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.353,267-508-4,67874-80-0,"3,7-dimethyloctyl butyrate","3,7-dimethyloctyl butyrate",CCCC(=O)OCCC(C)CCCC(C)C,CCCC(=O)OCCC(C)CCCC(C)C,"InChI=1/C14H28O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h12-13H,5-11H2,1-4H3",C14H28O2,,,,,,MHOJKRQFONEPRN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.357,267-513-1,67874-85-5,"(2-hydroxy-1,1-dimethylethyl)dimethylammonium hydrogen maleate","1-hydroxy-N,N,2-trimethylpropan-2-aminium hydrogen but-2-enedioate",C[NH+](C)C(C)(C)CO.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+](C)C(C)(C)CO.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C6H15NO.C4H4O4/c1-6(2,5-8)7(3)4;5-3(6)1-2-4(7)8/h8H,5H2,1-4H3;1-2H,(H,5,6)(H,7,8)/p-1",C6H15NO.C4H4O4,,,,,,RQCQIRYIZGPBET-BTJKTKAUSA-M,,,,,,,,,,,
100.061.361,267-517-3,67875-02-9,"Sodium 4-[[4-[(4-ethoxyphenyl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonate","sodium 4-({4-[(4-ethoxyphenyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)benzenesulfonate",[Na+].COc3cc(N=Nc1ccc(OCC)cc1)c(cc3N=Nc2ccc(cc2)S([O-])(=O)=O)OC,[Na+].COc3cc(N=Nc1ccc(OCC)cc1)c(cc3N=Nc2ccc(cc2)S([O-])(=O)=O)OC,"InChI=1/C22H22N4O6S.Na/c1-4-32-17-9-5-15(6-10-17)23-25-19-13-22(31-3)20(14-21(19)30-2)26-24-16-7-11-18(12-8-16)33(27,28)29;/h5-14H,4H2,1-3H3,(H,27,28,29);/q;+1/p-1",C22H22N4O6S.Na,,,,,,KFFWWEZDABCZCU-UHFFFAOYSA-M,,,,,,,,,,,
100.061.371,267-528-3,67875-14-3,Sodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-8-[(o-tolyl)azo]naphthalene-2-sulphonate,sodium 5-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-8-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonate,[Na+].OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2ccccc2C)c3cc(ccc34)S([O-])(=O)=O,[Na+].OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2ccccc2C)c3cc(ccc34)S([O-])(=O)=O,"InChI=1/C27H27N5O5S.Na/c1-19-4-2-3-5-25(19)29-31-27-13-12-26(23-11-10-22(18-24(23)27)38(35,36)37)30-28-20-6-8-21(9-7-20)32(14-16-33)15-17-34;/h2-13,18,33-34H,14-17H2,1H3,(H,35,36,37);/q;+1/p-1",C27H27N5O5S.Na,,,,,,ZLYJPZPHWVFCCK-UHFFFAOYSA-M,,,,,,,,,,,
100.056.500,262-169-9,60317-14-8,"3-[[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]amino]propyltrimethylammonium methyl sulphate","3-[({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)amino]-N,N,N-trimethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CCCNS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,COS(=O)(=O)[O-].C[N+](C)(C)CCCNS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C21H28ClN4O2S.CH4O4S/c1-26(2,3)16-4-14-23-29(27,28)20-11-9-19(10-12-20)25-15-13-21(24-25)17-5-7-18(22)8-6-17;1-5-6(2,3)4/h5-12,23H,4,13-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C21H28ClN4O2S.CH3O4S,,,,,,VTVOEOHRHUFALE-UHFFFAOYSA-M,,,,,,,,,,,
100.056.505,262-175-1,60329-30-8,"6-chloro-3-phenylpyridazin-4-ol, compound with triethylamine (1:1)","6-chloro-3-phenylpyridazin-4-ol - N,N-diethylethanamine (1:1)",CCN(CC)CC.Oc1cc(Cl)nnc1c2ccccc2,CCN(CC)CC.Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O.C6H15N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-4-7(5-2)6-3/h1-6H,(H,12,14);4-6H2,1-3H3",C10H7ClN2O.C6H15N,,,,,,FWAZKHUJMVIKEB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.508,262-178-8,60329-36-4,"6-chloro-3-phenylpyridazin-4-ol, compound with propylamine (1:1)",6-chloro-3-phenylpyridazin-4-ol - propan-1-amine (1:1),CCCN.Oc1cc(Cl)nnc1c2ccccc2,CCCN.Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O.C3H9N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-3-4/h1-6H,(H,12,14);2-4H2,1H3",C10H7ClN2O.C3H9N,,,,,,BAAZVOPAJKBFIH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.424,264-286-0,63512-53-8,3-heptyl-2-thioxooxazolidin-4-one,"3-heptyl-2-thioxo-1,3-oxazolidin-4-one",CCCCCCCN1C(=O)COC1=S,CCCCCCCN1C(=O)COC1=S,"InChI=1/C10H17NO2S/c1-2-3-4-5-6-7-11-9(12)8-13-10(11)14/h2-8H2,1H3",C10H17NO2S,,,,,,NSFWJZWXHLAUMO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.824,265-825-2,65573-13-9,3-[2-(dimethylamino)ethoxy]propylamine,3-[2-(dimethylamino)ethoxy]propan-1-amine,CN(C)CCOCCCN,CN(C)CCOCCCN,"InChI=1/C7H18N2O/c1-9(2)5-7-10-6-3-4-8/h3-8H2,1-2H3",C7H18N2O,,,,,,SCRPVVLMUUQILK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.828,265-829-4,65576-45-6,"trans-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole","5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole",CN1C[C@H]2[C@H](C1)c3cc(Cl)ccc3Oc4ccccc24,CN1C[C@H]2[C@H](C1)c3cc(Cl)ccc3Oc4ccccc24,"InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3",C17H16ClNO,,,,,,VSWBSWWIRNCQIJ-HUUCEWRRSA-N,,,,,,,,,,,
100.059.834,265-836-2,65588-70-7,N-(2-aminoethyl)-N-(2-hydroxyethyl)myristamide,N-(2-aminoethyl)-N-(2-hydroxyethyl)tetradecanamide,CCCCCCCCCCCCCC(=O)N(CCN)CCO,CCCCCCCCCCCCCC(=O)N(CCN)CCO,"InChI=1/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20(15-14-19)16-17-21/h21H,2-17,19H2,1H3",C18H38N2O2,,,,,,ZWXKFCFXNGTGEC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.839,265-842-5,65605-47-2,"Benzothiazole-2(3H)-thione, compound with dibutylamine (1:1)","1,3-benzothiazole-2(3H)-thione - N-butylbutan-1-amine (1:1)",CCCCNCCCC.S=C1Nc2ccccc2S1,CCCCNCCCC.S=C1Nc2ccccc2S1,"InChI=1/C8H19N.C7H5NS2/c1-3-5-7-9-8-6-4-2;9-7-8-5-3-1-2-4-6(5)10-7/h9H,3-8H2,1-2H3;1-4H,(H,8,9)",C8H19N.C7H5NS2,,,,,,BKSICYWQMAIZGY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.842,265-845-1,65606-21-5,N-isopropylpyrimidin-2-amine phosphate (1:1),-,CC(C)Nc1ncccn1.[O-]P(=O)([O-])[O-],CC(C)Nc1ncccn1.[O-]P(=O)([O-])[O-],"InChI=1/C7H11N3.H3O4P/c1-6(2)10-7-8-4-3-5-9-7;1-5(2,3)4/h3-6H,1-2H3,(H,8,9,10);(H3,1,2,3,4)/p-3",C7H11N3.H3O4P,,,,,,CXEBHWXMQKIKPJ-UHFFFAOYSA-K,,,,,,,,,,,
100.059.843,265-846-7,65621-78-5,"cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole","5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole",CN1C[C@@H]2[C@H](C1)c3ccccc3Oc4ccc(Cl)cc24,CN1C[C@@H]2[C@H](C1)c3ccccc3Oc4ccc(Cl)cc24,"InChI=1/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3",C17H16ClNO,,,,,,VSWBSWWIRNCQIJ-CABCVRRESA-N,,,,,,,,,,,
100.059.846,265-849-3,65644-56-6,"Calcium 2,3-dihydroxypropionate","calcium bis(2,3-dihydroxypropanoate)",[Ca+2].OCC(O)C(=O)[O-].OCC(O)C(=O)[O-],[Ca+2].OCC(O)C(=O)[O-].OCC(O)C(=O)[O-],"InChI=1/2C3H6O4.Ca/c2*4-1-2(5)3(6)7;/h2*2,4-5H,1H2,(H,6,7);/q;;+2/p-2",C3H6O4.1/2Ca,,,,,,VPWAVWZPVGDNMN-UHFFFAOYSA-L,,,,,,,,,,,
100.059.848,265-851-4,65652-26-8,2-chloro-1-methoxyethanol,2-chloro-1-methoxyethanol,COC(O)CCl,COC(O)CCl,"InChI=1/C3H7ClO2/c1-6-3(5)2-4/h3,5H,2H2,1H3",C3H7ClO2,,,,,,WDKOEMMQZYRXJH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.854,265-858-2,65652-34-8,"Hexane-1,6-diol, compound with N-ethyldibutylamine (1:2)","hexane-1,6-diol - N-butyl-N-ethylbutan-1-amine (1:2)",CCCCN(CC)CCCC.CCCCN(CC)CCCC.OCCCCCCO,CCCCN(CC)CCCC.CCCCN(CC)CCCC.OCCCCCCO,"InChI=1/2C10H23N.C6H14O2/c2*1-4-7-9-11(6-3)10-8-5-2;7-5-3-1-2-4-6-8/h2*4-10H2,1-3H3;7-8H,1-6H2",C10H23N.1/2C6H14O2,,,,,,HHBUMQWRCZAUOD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.714,266-806-1,67634-03-1,4-(isopropyl)-ß-methylcyclohexaneethanol,2-(4-isopropylcyclohexyl)propan-1-ol,CC(C)C1CCC(CC1)C(C)CO,CC(C)C1CCC(CC1)C(C)CO,"InChI=1/C12H24O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h9-13H,4-8H2,1-3H3",C12H24O,,,,,,XZAQOBPFWUNKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.715,266-807-7,67634-04-2,"[2,2-bis[(3,7-dimethyl-6-octenyl)oxy]ethyl]benzene","{2,2-bis[(3,7-dimethyloct-6-en-1-yl)oxy]ethyl}benzene",CC(CCOC(Cc1ccccc1)OCCC(C)CCC=C(C)C)CCC=C(C)C,CC(CCOC(Cc1ccccc1)OCCC(C)CCC=C(C)C)CCC=C(C)C,"InChI=1/C28H46O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-17,25-26,28H,10-11,14-15,18-22H2,1-6H3",C28H46O2,,,,,,UZCGMNMYZDLKDA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.719,266-811-9,67634-08-6,Tetrahydro-a-pentylfurfuryl acetate,1-(tetrahydrofuran-2-yl)hexyl acetate,CCCCCC(OC(=O)C)C1CCCO1,CCCCCC(OC(=O)C)C1CCCO1,"InChI=1/C12H22O3/c1-3-4-5-7-12(15-10(2)13)11-8-6-9-14-11/h11-12H,3-9H2,1-2H3",C12H22O3,,,,,,ZCAFBBZXLGOTRK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.723,266-816-6,67634-12-2,Methyl 2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexenyl]methylene]amino]benzoate,methyl 2-({[4-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]methylene}amino)benzoate,COC(=O)c2ccccc2N=CC1C\\C=C(/CC1)CCCC(C)(C)O,COC(=O)c2ccccc2N=CC1C\C=C(/CC1)CCCC(C)(C)O,"InChI=1/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,17,24H,6-7,11-14H2,1-3H3",C21H29NO3,,,,,,HNLBOCGUTPSUHX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.725,266-818-7,67634-14-4,"3-(o-ethylphenyl)-2,2-dimethylpropionaldehyde","3-(2-ethylphenyl)-2,2-dimethylpropanal",CCc1ccccc1CC(C)(C)C=O,CCc1ccccc1CC(C)(C)C=O,"InChI=1/C13H18O/c1-4-11-7-5-6-8-12(11)9-13(2,3)10-14/h5-8,10H,4,9H2,1-3H3",C13H18O,,,,,,ITJHALDCYCTNNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.726,266-819-2,67634-15-5,"3-(p-ethylphenyl)-2,2-dimethylpropionaldehyde","3-(4-ethylphenyl)-2,2-dimethylpropanal",CCc1ccc(CC(C)(C)C=O)cc1,CCc1ccc(CC(C)(C)C=O)cc1,"InChI=1/C13H18O/c1-4-11-5-7-12(8-6-11)9-13(2,3)10-14/h5-8,10H,4,9H2,1-3H3",C13H18O,,,,,,JFTSYAALCNQOKO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.551,265-525-1,65150-94-9,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-tritriacontafluoro-18-iodooctadecane","1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-tritriacontafluoro-18-iodooctadecane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,"InChI=1/C18H4F33I/c19-3(20,1-2-52)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51/h1-2H2",C18H4F33I,,,,,,GCGKXUZHBVVLML-UHFFFAOYSA-N,,,,,,,,,,,
100.061.575,267-753-7,67919-67-9,"Octahydro-3a,4,7b-trimethyl-2H-4,7a-ethanonaphth[1,2-b]oxirene","3a,4,7b-trimethyloctahydro-2H-4,7a-ethanonaphtho[1,2-b]oxirene",CC12CCCC3(CC1)C2(C)CCC4OC34C,CC12CCCC3(CC1)C2(C)CCC4OC34C,"InChI=1/C15H24O/c1-12-6-4-7-15(10-9-12)13(12,2)8-5-11-14(15,3)16-11/h11H,4-10H2,1-3H3",C15H24O,,,,,,HDKRRWIYNADEKA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.579,267-757-9,67923-42-6,3-phenoxypropyl methacrylate,3-phenoxypropyl methacrylate,CC(=C)C(=O)OCCCOc1ccccc1,CC(=C)C(=O)OCCCOc1ccccc1,"InChI=1/C13H16O3/c1-11(2)13(14)16-10-6-9-15-12-7-4-3-5-8-12/h3-5,7-8H,1,6,9-10H2,2H3",C13H16O3,,,,,,JNRPOURQJNXRPA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.581,267-760-5,67923-44-8,"2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bisethyl diacetate","({3-chloro-4-[(4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",Clc2cc(ccc2N=Nc1ccc(cc1)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,Clc2cc(ccc2N=Nc1ccc(cc1)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,"InChI=1/C20H21ClN4O6/c1-14(26)30-11-9-24(10-12-31-15(2)27)18-7-8-20(19(21)13-18)23-22-16-3-5-17(6-4-16)25(28)29/h3-8,13H,9-12H2,1-2H3",C20H21ClN4O6,,,,,,XYVFLLFMYZLCTA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.593,267-773-6,67923-57-3,[1-(1-methoxy-2-phenylethoxy)ethyl]benzene,[1-(1-methoxy-2-phenylethoxy)ethyl]benzene,COC(Cc1ccccc1)OC(C)c2ccccc2,COC(Cc1ccccc1)OC(C)c2ccccc2,"InChI=1/C17H20O2/c1-14(16-11-7-4-8-12-16)19-17(18-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3",C17H20O2,,,,,,KZICCFIGLAANHL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.596,267-776-2,67923-60-8,Sodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-8-(phenylazo)naphthalene-2-sulphonate,sodium 5-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-8-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c3ccc4c(N=Nc1ccc(cc1)N(CCO)CCO)ccc(N=Nc2ccccc2)c4c3,[Na+].[O-]S(=O)(=O)c3ccc4c(N=Nc1ccc(cc1)N(CCO)CCO)ccc(N=Nc2ccccc2)c4c3,"InChI=1/C26H25N5O5S.Na/c32-16-14-31(15-17-33)21-8-6-20(7-9-21)28-29-25-12-13-26(30-27-19-4-2-1-3-5-19)24-18-22(37(34,35)36)10-11-23(24)25;/h1-13,18,32-33H,14-17H2,(H,34,35,36);/q;+1/p-1",C26H25N5O5S.Na,,,,,,CSKWNZZECZMRIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.061.597,267-777-8,67923-61-9,2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl dihydrogen phosphate,2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl dihydrogen phosphate,CCN(CCOP(=O)(O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H11F15NO6PS/c1-2-27(3-4-33-34(28,29)30)35(31,32)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h2-4H2,1H3,(H2,28,29,30)",C11H11F15NO6PS,,,,,,FANHPMCIAHYLOD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.998,261-618-6,59129-79-2,"2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-6'-[ethyl(4-methylphenyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(c1ccc(C)cc1)c2ccc3c(Oc4cc(C)c(Nc5ccccc5)cc4C36OC(=O)c7ccccc67)c2,CCN(c1ccc(C)cc1)c2ccc3c(Oc4cc(C)c(Nc5ccccc5)cc4C36OC(=O)c7ccccc67)c2,"InChI=1/C36H30N2O3/c1-4-38(26-16-14-23(2)15-17-26)27-18-19-30-34(21-27)40-33-20-24(3)32(37-25-10-6-5-7-11-25)22-31(33)36(30)29-13-9-8-12-28(29)35(39)41-36/h5-22,37H,4H2,1-3H3",C36H30N2O3,,,,,,IXHBSOXJLNEOPY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.627,263-409-5,62108-07-0,4-propylhept-1-en-4-ol,4-propylhept-1-en-4-ol,CCCC(O)(CCC)CC=C,CCCC(O)(CCC)CC=C,"InChI=1/C10H20O/c1-4-7-10(11,8-5-2)9-6-3/h4,11H,1,5-9H2,2-3H3",C10H20O,,,,,,RLUDGGHEFUDPLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.631,263-413-7,62117-57-1,Dimethyloctadecyl[3-(triethoxysilyl)propyl]ammonium chloride,"N,N-dimethyl-N-[3-(triethoxysilyl)propyl]octadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC,"InChI=1/C29H64NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(5,6)28-26-29-34(31-8-2,32-9-3)33-10-4;/h7-29H2,1-6H3;1H/q+1;/p-1",C29H64NO3Si.Cl,,,,,,HRBYCVPFYWTROV-UHFFFAOYSA-M,,,,,,,,,,,
100.057.632,263-414-2,62119-69-1,N-(4-formyl-3-hydroxyphenyl)benzenesulphonamide,N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide,Oc1cc(NS(=O)(=O)c2ccccc2)ccc1C=O,Oc1cc(NS(=O)(=O)c2ccccc2)ccc1C=O,"InChI=1/C13H11NO4S/c15-9-10-6-7-11(8-13(10)16)14-19(17,18)12-4-2-1-3-5-12/h1-9,14,16H",C13H11NO4S,,,,,,SFMIGFOCOPOAFP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.633,263-415-8,62119-81-7,a-methylthiophen-2-ethanol,1-(2-thienyl)propan-2-ol,CC(O)Cc1cccs1,CC(O)Cc1cccs1,"InChI=1/C7H10OS/c1-6(8)5-7-3-2-4-9-7/h2-4,6,8H,5H2,1H3",C7H10OS,,,,,,FQOLCQNLKZBNMM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.637,263-420-5,62124-27-0,1-(2-chloroethyl)-2-methylpiperidinium chloride,1-(2-chloroethyl)-2-methylpiperidinium chloride,[Cl-].CC1CCCC[NH+]1CCCl,[Cl-].CC1CCCC[NH+]1CCCl,"InChI=1/C8H16ClN.ClH/c1-8-4-2-3-6-10(8)7-5-9;/h8H,2-7H2,1H3;1H",C8H16ClN.ClH,,,,,,DCOWTQWMKSXLCO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.604,263-384-0,62037-55-2,"Disodium 4,4'-bis[(4-hydroxy-3-methylphenyl)azo]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-hydroxy-3-methylphenyl)diazenyl]benzenesulfonate}",[Na+].[Na+].Cc4cc(N=Nc3ccc(/C=C/c2ccc(N=Nc1cc(C)c(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)ccc4O,[Na+].[Na+].Cc4cc(N=Nc3ccc(/C=C/c2ccc(N=Nc1cc(C)c(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)ccc4O,"InChI=1/C28H24N4O8S2.2Na/c1-17-13-21(9-11-25(17)33)29-31-23-7-5-19(27(15-23)41(35,36)37)3-4-20-6-8-24(16-28(20)42(38,39)40)32-30-22-10-12-26(34)18(2)14-22;;/h3-16,33-34H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C28H24N4O8S2.2Na,,,,,,LXDSDLGVUKVSDJ-ZCKCZGSLSA-L,,,,,,,,,,,
100.058.106,263-937-6,63148-85-6,"2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium","2-{4-[acetyl(phenyl)amino]buta-1,3-dien-1-yl}-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate",[O-]S(=O)(=O)c1cc3c(cc1)oc(C=CC=CN(c2ccccc2)C(C)=O)[n+]3CC,[O-]S(=O)(=O)c1cc3c(cc1)oc(C=CC=CN(c2ccccc2)C(C)=O)[n+]3CC,"InChI=1/C21H20N2O5S/c1-3-22-19-15-18(29(25,26)27)12-13-20(19)28-21(22)11-7-8-14-23(16(2)24)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3",C21H20N2O5S,,,,,,NQNSPTOSRIHBGE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.110,263-941-8,63148-89-0,5-chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium,"3-[5-chloro-2-(2-ethoxybut-1-en-1-yl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]1c2cc(Cl)ccc2oc1C=C(CC)OCC,[O-]S(=O)(=O)CCC[n+]1c2cc(Cl)ccc2oc1C=C(CC)OCC,"InChI=1/C16H20ClNO5S/c1-3-13(22-4-2)11-16-18(8-5-9-24(19,20)21)14-10-12(17)6-7-15(14)23-16/h6-7,10-11H,3-5,8-9H2,1-2H3",C16H20ClNO5S,,,,,,VWMFWTUKPDOUCL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.116,263-948-6,63148-99-2,3-ethyl-2-methyl-5-sulphonatobenzoxazolium,"3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate",CC[n+]1c(C)oc2ccc(cc12)S(=O)(=O)[O-],CC[n+]1c(C)oc2ccc(cc12)S(=O)(=O)[O-],"InChI=1/C10H11NO4S/c1-3-11-7(2)15-10-5-4-8(6-9(10)11)16(12,13)14/h4-6H,3H2,1-2H3",C10H11NO4S,,,,,,ALUDXYYRAJGCDC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.752,265-746-3,65405-80-3,(Z)-3-hexenyl crotonate,hex-3-en-1-yl but-2-enoate,CC\\C=C/CCOC(=O)\\C=C\\C,CC\C=C/CCOC(=O)\C=C\C,"InChI=1/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3",C10H16O2,,,,,,KITGYVIOYOCIIE-QNMAEOQASA-N,,,,,,,,,,,
100.059.758,265-753-1,65414-74-6,(S)-2-amino-3-hydroxypropionamide hydrochloride,L-serinamide hydrochloride,Cl.N[C@@H](CO)C(=O)N,Cl.N[C@@H](CO)C(=O)N,"InChI=1/C3H8N2O2.ClH/c4-2(1-6)3(5)7;/h2,6H,1,4H2,(H2,5,7);1H",C3H8N2O2.ClH,,,,,,VURWDDZIWBGXCK-DKWTVANSSA-N,,,,,,,,,,,
100.059.761,265-756-8,65416-15-1,3-methyl-3-pentenyl salicylate,3-methylpent-3-en-1-yl salicylate,O=C(OCCC(C)=CC)c1ccccc1O,O=C(OCCC(C)=CC)c1ccccc1O,"InChI=1/C13H16O3/c1-3-10(2)8-9-16-13(15)11-6-4-5-7-12(11)14/h3-7,14H,8-9H2,1-2H3",C13H16O3,,,,,,DUVODKYLTOFNJW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.763,265-758-9,65416-17-3,"3,5-diethyl-2,6-dimethylcyclohex-2-en-1-one","3,5-diethyl-2,6-dimethylcyclohex-2-en-1-one",CCC1CC(=C(C)C(=O)C1C)CC,CCC1CC(=C(C)C(=O)C1C)CC,"InChI=1/C12H20O/c1-5-10-7-11(6-2)9(4)12(13)8(10)3/h8,10H,5-7H2,1-4H3",C12H20O,,,,,,QPWHFFFXFHDUMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.766,265-762-0,65416-22-0,"2,2,2-trichloro-1-phenylethyl phenylacetate","2,2,2-trichloro-1-phenylethyl phenylacetate",ClC(Cl)(Cl)C(OC(=O)Cc1ccccc1)c2ccccc2,ClC(Cl)(Cl)C(OC(=O)Cc1ccccc1)c2ccccc2,"InChI=1/C16H13Cl3O2/c17-16(18,19)15(13-9-5-2-6-10-13)21-14(20)11-12-7-3-1-4-8-12/h1-10,15H,11H2",C16H13Cl3O2,,,,,,XBNCLGQQXMCUGV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.768,265-764-1,65416-24-2,Benzyl but-2-enoate,benzyl but-2-enoate,CC=CC(=O)OCc1ccccc1,CC=CC(=O)OCc1ccccc1,"InChI=1/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3",C11H12O2,,,,,,NCPTYZLUYHXITE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.498,265-467-7,65121-88-2,Sodium tetradecenyl sulphate,sodium tetradec-1-en-1-yl sulfate,[Na+].[O-]S(=O)(=O)OC=CCCCCCCCCCCCC,[Na+].[O-]S(=O)(=O)OC=CCCCCCCCCCCCC,"InChI=1/C14H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1",C14H28O4S.Na,,,,,,ZKVAPRXKDPAASB-UHFFFAOYSA-M,,,,,,,,,,,
100.059.499,265-468-2,65121-90-6,Tetradecenyl dihydrogen phosphate,tetradec-1-en-1-yl dihydrogen phosphate,OP(O)(=O)OC=CCCCCCCCCCCCC,OP(O)(=O)OC=CCCCCCCCCCCCC,"InChI=1/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h13-14H,2-12H2,1H3,(H2,15,16,17)",C14H29O4P,,,,,,GSZOKLSCMQVVPB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.626,266-708-9,67518-96-1,"(1R-exo)-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid",CC1(C)C2CC[C@H](C2)C1C(=O)O,CC1(C)C2CC[C@H](C2)C1C(=O)O,"InChI=1/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)",C10H16O2,,,,,,KJKODDSNIDHCKV-JECWYVHBSA-N,,,,,,,,,,,
100.060.627,266-709-4,67518-98-3,"(1R-endo)-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid",CC1(C)C2CC[C@H](C2)C1C(=O)O,CC1(C)C2CC[C@H](C2)C1C(=O)O,"InChI=1/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)",C10H16O2,,,,,,KJKODDSNIDHCKV-JECWYVHBSA-N,,,,,,,,,,,
100.060.634,266-717-8,67554-50-1,Octylphenol,2-octylphenol,CCCCCCCCc1ccccc1O,CCCCCCCCc1ccccc1O,"InChI=1/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3",C14H22O,,,,,,DUIOKRXOKLLURE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.431,264-293-9,63521-15-3,"Sodium (6R-trans)-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridyl)acetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate","sodium 7-{[(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",[Na+].Cc1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](NC(=O)CN4C=C(Cl)C(=O)C(=C4)Cl)C3=O)C(=O)[O-])s1,[Na+].Cc1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](NC(=O)CN4C=C(Cl)C(=O)C(=C4)Cl)C3=O)C(=O)[O-])s1,"InChI=1/C18H15Cl2N5O5S3.Na/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24;/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30);/q;+1/p-1",C18H15Cl2N5O5S3.Na,,,,,,KPHCAENKLGZHCB-MIRNQTQTSA-M,,,,,,,,,,,
100.058.438,264-301-0,63537-67-7,"2,4,9,11-tetrabromodibenzo[a,h]phenazine-1,8-diol","2,4,9,11-tetrabromodibenzo[a,h]phenazine-1,8-diol",Oc1c(Br)cc(Br)c2ccc3nc4c(ccc5c(Br)cc(Br)c(O)c45)nc3c12,Oc1c(Br)cc(Br)c2ccc3nc4c(ccc5c(Br)cc(Br)c(O)c45)nc3c12,"InChI=1/C20H8Br4N2O2/c21-9-5-11(23)19(27)15-7(9)1-3-13-17(15)26-14-4-2-8-10(22)6-12(24)20(28)16(8)18(14)25-13/h1-6,27-28H",C20H8Br4N2O2,,,,,,DZGFRQHKGWYVBY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.439,264-302-6,63543-86-2,"Trisodium 2-[4-[2-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonate","trisodium 2-(4-{2-[4-({1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)-2-sulfonatophenyl]vinyl}-3-sulfonatophenyl)-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonate",[Na+].[Na+].[Na+].COc6ccccc6NC(=O)C(N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)n3nc4c2ccccc2c(cc4n3)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)C(C)=O,[Na+].[Na+].[Na+].COc6ccccc6NC(=O)C(N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)n3nc4c2ccccc2c(cc4n3)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)C(C)=O,"InChI=1/C35H28N6O12S3.3Na/c1-20(42)33(35(43)36-27-9-5-6-10-29(27)53-2)38-37-23-15-13-21(30(17-23)54(44,45)46)11-12-22-14-16-24(18-31(22)55(47,48)49)41-39-28-19-32(56(50,51)52)25-7-3-4-8-26(25)34(28)40-41;;;/h3-19,33H,1-2H3,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3",C35H28N6O12S3.3Na,,,,,,ZLYCTBKZFLWFEV-FBFWOGEFSA-K,,,,,,,,,,,
100.058.446,264-309-4,63555-89-5,6-amino-4-hydroxy-3-[(4-nitro-2-sulphophenyl)azo]naphthalene-2-sulphonic acid,6-amino-4-hydroxy-3-[(4-nitro-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,[O-][N+](=O)c3ccc(N=Nc2c(cc1ccc(N)cc1c2O)S(O)(=O)=O)c(c3)S(O)(=O)=O,[O-][N+](=O)c3ccc(N=Nc2c(cc1ccc(N)cc1c2O)S(O)(=O)=O)c(c3)S(O)(=O)=O,"InChI=1/C16H12N4O9S2/c17-9-2-1-8-5-14(31(27,28)29)15(16(21)11(8)6-9)19-18-12-4-3-10(20(22)23)7-13(12)30(24,25)26/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29)",C16H12N4O9S2,,,,,,LAYOWTLJFUTGSO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.458,264-323-0,63569-19-7,"Methyl (16a,1ß,19a)-17-methoxy-19-methyloxayohimban-16-carboxylate",methyl 17-methoxy-19-methyl-18-oxayohimban-16-carboxylate,COC1O[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)OC,COC1O[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)OC,"InChI=1/C22H28N2O4/c1-12-16-11-24-9-8-14-13-6-4-5-7-17(13)23-20(14)18(24)10-15(16)19(21(25)26-2)22(27-3)28-12/h4-7,12,15-16,18-19,22-23H,8-11H2,1-3H3",C22H28N2O4,,,,,,IXOBRDZTISLXQS-AMNPBPSFSA-N,,,,,,,,,,,
100.054.294,259-743-6,55660-98-5,1-(1-methoxy-1-methylethyl)cyclohexane,(1-methoxy-1-methylethyl)cyclohexane,COC(C)(C)C1CCCCC1,COC(C)(C)C1CCCCC1,"InChI=1/C10H20O/c1-10(2,11-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",C10H20O,,,,,,IBAJWKQKPIIFQU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.295,259-744-1,55664-78-3,"3-[[[2,4-bis(tert-pentyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-4-[(methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide","3-({[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl}amino)-N-{4-[(2-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}benzamide",CC(C)(CC)c5ccc(OCC(=O)Nc1cccc(c1)C(=O)N/C4=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C4N=Nc3ccccc3OC)c(c5)C(C)(C)CC,CC(C)(CC)c5ccc(OCC(=O)Nc1cccc(c1)C(=O)N/C4=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C4N=Nc3ccccc3OC)c(c5)C(C)(C)CC,"InChI=1/C41H43Cl3N6O5/c1-8-40(3,4)25-17-18-32(28(20-25)41(5,6)9-2)55-23-34(51)45-27-14-12-13-24(19-27)38(52)46-37-35(48-47-31-15-10-11-16-33(31)54-7)39(53)50(49-37)36-29(43)21-26(42)22-30(36)44/h10-22,35H,8-9,23H2,1-7H3,(H,45,51)(H,46,49,52)",C41H43Cl3N6O5,,,,,,NFEPASHQYDHYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.304,259-754-6,55682-92-3,Methyl octacosanoate,methyl octacosanoate,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C29H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31-2/h3-28H2,1-2H3",C29H58O2,,,,,,ZKHOYAKAFALNQD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.305,259-755-1,55690-60-3,5-methoxybenzothiazole-2(3H)-thione,"5-methoxy-1,3-benzothiazole-2(3H)-thione",COc1ccc2SC(=S)Nc2c1,COc1ccc2SC(=S)Nc2c1,"InChI=1/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)",C8H7NOS2,,,,,,JDPITNFDYXOKRM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.308,259-758-8,55694-11-6,"Sodium 4,8-diamino-9,10-dihydro-1,5-dihydroxy-6-(4-hydroxyphenyl)-9,10-dioxoanthracene-2-sulphonate","sodium 4,8-diamino-1,5-dihydroxy-6-(4-hydroxyphenyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1cc(c(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)S(=O)(=O)[O-])c4ccc(O)cc4,[Na+].Nc1cc(c(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)S(=O)(=O)[O-])c4ccc(O)cc4,"InChI=1/C20H14N2O8S.Na/c21-10-5-9(7-1-3-8(23)4-2-7)17(24)15-13(10)20(27)16-14(19(15)26)11(22)6-12(18(16)25)31(28,29)30;/h1-6,23-25H,21-22H2,(H,28,29,30);/q;+1/p-1",C20H14N2O8S.Na,,,,,,HOKTUGJBRVGKGK-UHFFFAOYSA-M,,,,,,,,,,,
100.060.732,266-826-0,67634-21-3,p-isopropylbenzyl formate,4-isopropylbenzyl formate,CC(C)c1ccc(COC=O)cc1,CC(C)c1ccc(COC=O)cc1,"InChI=1/C11H14O2/c1-9(2)11-5-3-10(4-6-11)7-13-8-12/h3-6,8-9H,7H2,1-2H3",C11H14O2,,,,,,UZFIDCCOGFHAHO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.740,266-834-4,67642-21-1,"5-nitro-2-furaldehyde O-[3-(2,6-dimethylpiperidino)-2-hydroxypropyl]oxime monohydrochloride","5-nitro-2-furaldehyde O-[3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]oxime hydrochloride",Cl.CC1CCCC(C)N1CC(O)CO\\N=C\\c2oc(cc2)[N+](=O)[O-],Cl.CC1CCCC(C)N1CC(O)CO\N=C\c2oc(cc2)[N+](=O)[O-],"InChI=1/C15H23N3O5.ClH/c1-11-4-3-5-12(2)17(11)9-13(19)10-22-16-8-14-6-7-15(23-14)18(20)21;/h6-8,11-13,19H,3-5,9-10H2,1-2H3;1H",C15H23N3O5.ClH,,,,,,OTONTHYBDVUFTM-OHGISNTKSA-N,,,,,,,,,,,
100.060.749,266-844-9,67662-99-1,"4-(5,5-dimethyl-3-cyclohexen-1-yl)-3-buten-2-one","4-(5,5-dimethylcyclohex-3-en-1-yl)but-3-en-2-one",CC(=O)C=CC1C\\C=C/C(C)(C)C1,CC(=O)C=CC1C\C=C/C(C)(C)C1,"InChI=1/C12H18O/c1-10(13)6-7-11-5-4-8-12(2,3)9-11/h4,6-8,11H,5,9H2,1-3H3",C12H18O,,,,,,XHVGJHYNZGHEFV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.899,263-709-6,62708-58-1,Sodium 5-formyl-2-hydroxybenzenesulphonate,sodium 5-formyl-2-hydroxybenzenesulfonate,[Na+].Oc1ccc(C=O)cc1S(=O)(=O)[O-],[Na+].Oc1ccc(C=O)cc1S(=O)(=O)[O-],"InChI=1/C7H6O5S.Na/c8-4-5-1-2-6(9)7(3-5)13(10,11)12;/h1-4,9H,(H,10,11,12);/q;+1/p-1",C7H6O5S.Na,,,,,,CNVCGMBBAQAAIU-UHFFFAOYSA-M,,,,,,,,,,,
100.057.904,263-714-3,62749-46-6,"1,6-dihydro-6-oxo[3,4'-bipyridine]-5-carboxamide","6-oxo-1,6-dihydro-3,4'-bipyridine-5-carboxamide",NC(=O)C1=CC(=CNC1=O)c2ccncc2,NC(=O)C1=CC(=CNC1=O)c2ccncc2,"InChI=1/C11H9N3O2/c12-10(15)9-5-8(6-14-11(9)16)7-1-3-13-4-2-7/h1-6H,(H2,12,15)(H,14,16)",C11H9N3O2,,,,,,JQVJXOJHWJIKSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.906,263-716-4,62758-12-7,Sodium p-[[p-(diethylamino)phenyl]azo]benzenesulphonate,sodium 4-{[4-(diethylamino)phenyl]diazenyl}benzenesulfonate,[Na+].CCN(CC)c2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2,[Na+].CCN(CC)c2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2,"InChI=1/C16H19N3O3S.Na/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);/q;+1/p-1",C16H19N3O3S.Na,,,,,,YZORUOZKRBVLEG-UHFFFAOYSA-M,,,,,,,,,,,
100.057.911,263-722-7,62763-89-7,2-methylquinolinium chloride,2-methylquinolinium chloride,[Cl-].Cc1ccc2ccccc2[nH+]1,[Cl-].Cc1ccc2ccccc2[nH+]1,"InChI=1/C10H9N.ClH/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h2-7H,1H3;1H",C10H9N.ClH,,,,,,XTSLCRPEKXYGBR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.919,263-731-6,62780-89-6,"1-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one","1-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one",ClCCCN1C(=O)Nc2ccccc12,ClCCCN1C(=O)Nc2ccccc12,"InChI=1/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)",C10H11ClN2O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17268,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.919,GUMPYDGUYXOYML-UHFFFAOYSA-N,,,,,,,,,,,
100.057.920,263-732-1,62787-29-5,"N-(3-aminopropyl)-N-[2-(dimethylamino)ethyl]propane-1,3-diamine","N-(3-aminopropyl)-N-[2-(dimethylamino)ethyl]propane-1,3-diamine",CN(C)CCN(CCCN)CCCN,CN(C)CCN(CCCN)CCCN,"InChI=1/C10H26N4/c1-13(2)9-10-14(7-3-5-11)8-4-6-12/h3-12H2,1-2H3",C10H26N4,,,,,,YCWVTMPODMQZHM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.923,263-735-8,62796-29-6,"9-[4-(chlorosulphonyl)-2-sulphonatophenyl]-3,6-bis(diethylamino)xanthylium","2-[3,6-bis(diethylamino)xanthenium-9-yl]-5-(chlorosulfonyl)benzenesulfonate",CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)Cl)c4ccc(cc4[o+]c2c1)N(CC)CC,CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)Cl)c4ccc(cc4[o+]c2c1)N(CC)CC,"InChI=1/C27H29ClN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(28,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3",C27H29ClN2O6S2,,,,,,AVQIKQWZRRIHGJ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.924,263-736-3,62806-49-9,Ethyl [[[(cyclohexylamino)carbonyl]imino](dimethylamino)methyl]methylcarbamate,ethyl [(cyclohexylcarbamoyl)(dimethyl)carbamimidoyl]methylcarbamate,O=C(NC1CCCCC1)N=C(N(C)C(=O)OCC)N(C)C,O=C(NC1CCCCC1)N=C(N(C)C(=O)OCC)N(C)C,"InChI=1/C14H26N4O3/c1-5-21-14(20)18(4)13(17(2)3)16-12(19)15-11-9-7-6-8-10-11/h11H,5-10H2,1-4H3,(H,15,19)",C14H26N4O3,,,,,,UJHNZPYZZZECRI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.926,263-738-4,62825-92-7,5-[(2-bromophenyl)methyl]oxazolidin-2-one,"5-(2-bromobenzyl)-1,3-oxazolidin-2-one",Brc1ccccc1CC2CNC(=O)O2,Brc1ccccc1CC2CNC(=O)O2,"InChI=1/C10H10BrNO2/c11-9-4-2-1-3-7(9)5-8-6-12-10(13)14-8/h1-4,8H,5-6H2,(H,12,13)",C10H10BrNO2,,,,,,WEELDJDMRQTFIE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.930,263-743-1,62858-83-7,2-isopropylresorcinol,"2-isopropylbenzene-1,3-diol",CC(C)c1c(O)cccc1O,CC(C)c1c(O)cccc1O,"InChI=1/C9H12O2/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6,10-11H,1-2H3",C9H12O2,,,,,,SYTPDTSSCRKIMF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.933,263-746-8,62875-07-4,"2-methylbutane-1,2,4-triol","2-methylbutane-1,2,4-triol",CC(O)(CO)CCO,CC(O)(CO)CCO,"InChI=1/C5H12O3/c1-5(8,4-7)2-3-6/h6-8H,2-4H2,1H3",C5H12O3,,,,,,XYHGSPUTABMVOC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.935,263-748-9,62882-01-3,5-methylisoquinoline,5-methylisoquinoline,Cc1cccc2cnccc12,Cc1cccc2cnccc12,"InChI=1/C10H9N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-7H,1H3",C10H9N,,,,,,QHRZMGDJNNDMGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.652,263-436-2,62151-56-8,3-methylcyclopentadecan-1-ol,3-methylcyclopentadecanol,CC1CCCCCCCCCCCCC(O)C1,CC1CCCCCCCCCCCCC(O)C1,"InChI=1/C16H32O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15-17H,2-14H2,1H3",C16H32O,,,,,,GVPGXFIINYYZAR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.661,263-446-7,62173-55-1,"Dimethyl 2,3-dichlorosuccinate","dimethyl 2,3-dichlorosuccinate",COC(=O)C(Cl)C(Cl)C(=O)OC,COC(=O)C(Cl)C(Cl)C(=O)OC,"InChI=1/C6H8Cl2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4H,1-2H3",C6H8Cl2O4,,,,,,JBNBHRIGUASWJK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.175,264-013-5,63217-10-7,"Bis(15-methyl-3,6,9,12-tetraoxahexadecyl) hydrogen phosphate","bis(15-methyl-3,6,9,12-tetraoxahexadec-1-yl) hydrogen phosphate",CC(C)CCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCC(C)C,CC(C)CCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCC(C)C,"InChI=1/C26H55O12P/c1-25(2)5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-39(27,28)38-24-22-36-20-18-34-16-14-32-12-10-30-8-6-26(3)4/h25-26H,5-24H2,1-4H3,(H,27,28)",C26H55O12P,,,,,,JCYSNWJUDYRPMA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.180,264-018-2,63217-15-2,Sodium 2-(cyclohexylstearoylamino)ethanesulphonate,sodium 2-[cyclohexyl(stearoyl)amino]ethanesulfonate,[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C1CCCCC1,[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C1CCCCC1,"InChI=1/C26H51NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27(23-24-32(29,30)31)25-20-17-16-18-21-25;/h25H,2-24H2,1H3,(H,29,30,31);/q;+1/p-1",C26H51NO4S.Na,,,,,,ABBTUPYMSSTNOH-UHFFFAOYSA-M,,,,,,,,,,,
100.058.189,264-028-7,63217-35-6,2-(4-aminophenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid,2-(4-aminophenyl)-1-octadecyl-1H-benzimidazole-5-sulfonic acid,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(N)cc3,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(N)cc3,"InChI=1/C31H47N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-30-23-22-28(38(35,36)37)25-29(30)33-31(34)26-18-20-27(32)21-19-26/h18-23,25H,2-17,24,32H2,1H3,(H,35,36,37)",C31H47N3O3S,,,,,,JHHVDPLPBJASDF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.191,264-030-8,63217-39-0,"6,7-bis[(phenylsulphonyl)oxy]naphthalene-2-sulphonyl chloride","6-(chlorosulfonyl)naphthalene-2,3-diyl dibenzenesulfonate",ClS(=O)(=O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c4ccccc4)cc2c1,ClS(=O)(=O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c4ccccc4)cc2c1,"InChI=1/C22H15ClO8S3/c23-32(24,25)20-12-11-16-14-21(30-33(26,27)18-7-3-1-4-8-18)22(15-17(16)13-20)31-34(28,29)19-9-5-2-6-10-19/h1-15H",C22H15ClO8S3,,,,,,LPVTZQLZNSDOAF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.559,265-534-0,65151-41-9,"Tetralithium 7,7'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,3-disulphonate)","tetralithium 7-({4-[({4-[(6,8-disulfonato-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,3-disulfonate",[Li+].[Li+].[Li+].[Li+].COc6cc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc3cc4c(cc(cc4cc3)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,[Li+].[Li+].[Li+].[Li+].COc6cc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc3cc4c(cc(cc4cc3)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,"InChI=1/C37H32N6O15S4.4Li/c1-19-9-31(33(57-3)17-29(19)42-40-23-7-5-21-11-25(59(45,46)47)15-35(27(21)13-23)61(51,52)53)38-37(44)39-32-10-20(2)30(18-34(32)58-4)43-41-24-8-6-22-12-26(60(48,49)50)16-36(28(22)14-24)62(54,55)56;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C37H32N6O15S4.4Li,,,,,,ASMPXGFEJXMIIN-UHFFFAOYSA-J,,,,,,,,,,,
100.059.561,265-536-1,65151-46-4,Dimorpholinium hexadecyl phosphate,dimorpholin-4-ium hexadecyl phosphate,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].C1COCC[NH2+]1.C2COCC[NH2+]2,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].C1COCC[NH2+]1.C2COCC[NH2+]2,"InChI=1/C16H35O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;2*1-3-6-4-2-5-1/h2-16H2,1H3,(H2,17,18,19);2*5H,1-4H2",C16H35O4P.2C4H9NO,,,,,,RDBHYSAPSXDNIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.562,265-537-7,65151-48-6,Benzyl(hexadecyl)bis(2-hydroxypropyl)ammonium chloride,"N-benzyl-N,N-bis(2-hydroxypropyl)hexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCC[N+](CC(C)O)(CC(C)O)Cc1ccccc1,"InChI=1/C29H54NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-27(2)31,25-28(3)32)26-29-21-18-17-19-22-29;/h17-19,21-22,27-28,31-32H,4-16,20,23-26H2,1-3H3;1H/q+1;/p-1",C29H54NO2.Cl,,,,,,XURDIXCMWFXRBV-UHFFFAOYSA-M,,,,,,,,,,,
100.059.566,265-541-9,65151-61-3,"Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanopropionate","{[4-(1,2-dicyano-3-ethoxy-3-oxopropyl)phenyl]imino}diethane-2,1-diyl dibenzoate",CCOC(=O)C(C#N)C(C#N)c1ccc(cc1)N(CCOC(=O)c2ccccc2)CCOC(=O)c3ccccc3,CCOC(=O)C(C#N)C(C#N)c1ccc(cc1)N(CCOC(=O)c2ccccc2)CCOC(=O)c3ccccc3,"InChI=1/C31H29N3O6/c1-2-38-31(37)28(22-33)27(21-32)23-13-15-26(16-14-23)34(17-19-39-29(35)24-9-5-3-6-10-24)18-20-40-30(36)25-11-7-4-8-12-25/h3-16,27-28H,2,17-20H2,1H3",C31H29N3O6,,,,,,RBSBTQHUNDPDQR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.567,265-542-4,65151-62-4,Choline methyl sulphate,"2-hydroxy-N,N,N-trimethylethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CCO,COS(=O)(=O)[O-].C[N+](C)(C)CCO,"InChI=1/C5H14NO.CH4O4S/c1-6(2,3)4-5-7;1-5-6(2,3)4/h7H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C5H14NO.CH3O4S,,,,,,XYJMOGRCMXCNLD-UHFFFAOYSA-M,,,,,,,,,,,
100.059.568,265-544-5,65151-64-6,"4,5-dicyano-1H-imidazole-2-diazonium chloride","4,5-dicyano-1H-imidazole-2-diazonium chloride",[Cl-].N#Cc1nc([nH]c1C#N)[N+]#N,[Cl-].N#Cc1nc([nH]c1C#N)[N+]#N,"InChI=1/C5HN6.ClH/c6-1-3-4(2-7)10-5(9-3)11-8;/h(H,9,10);1H/q+1;/p-1",C5HN6.Cl,,,,,,MHYOXJBRHRHKKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.637,266-720-4,67580-39-6,"Sodium 9,10-dimethoxyanthracene-2-sulphonate","sodium 9,10-dimethoxyanthracene-2-sulfonate",[Na+].COc1c2ccccc2c(OC)c3cc(ccc13)S(=O)(=O)[O-],[Na+].COc1c2ccccc2c(OC)c3cc(ccc13)S(=O)(=O)[O-],"InChI=1/C16H14O5S.Na/c1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;/h3-9H,1-2H3,(H,17,18,19);/q;+1/p-1",C16H14O5S.Na,,,,,,CBGQZXMEEWCJQD-UHFFFAOYSA-M,,,,,,,,,,,
100.060.641,266-725-1,67584-48-9,N-allyltridecafluorohexanesulphonamide,"N-allyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,"InChI=1/C9H6F13NO2S/c1-2-3-23-26(24,25)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h2,23H,1,3H2",C9H6F13NO2S,,,,,,OEYYQKXFSDVKJI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.642,266-726-7,67584-49-0,"N-allyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide","N-allyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,"InChI=1/C10H6F15NO2S/c1-2-3-26-29(27,28)10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h2,26H,1,3H2",C10H6F15NO2S,,,,,,BWDDXILIAIZLEX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.643,266-727-2,67584-50-3,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[3-(trichlorosilyl)propyl]heptane-1-sulphonamide","N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[3-(trichlorosilyl)propyl]heptane-1-sulfonamide",CCN(CCC[Si](Cl)(Cl)Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCC[Si](Cl)(Cl)Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H11Cl3F15NO2SSi/c1-2-31(4-3-5-35(13,14)15)34(32,33)12(29,30)10(24,25)8(20,21)6(16,17)7(18,19)9(22,23)11(26,27)28/h2-5H2,1H3",C12H11Cl3F15NO2SSi,,,,,,FGUIJRKFZDKNCE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.647,266-731-4,67584-54-7,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide","N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide",CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H13F15N2O2S/c1-29(2)5-3-4-28-32(30,31)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h28H,3-5H2,1-2H3",C12H13F15N2O2S,,,,,,RFJQYRXZGNILIY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.652,266-737-7,67584-59-2,2-[methyl[(nonafluorobutyl)sulphonyl]amino]ethyl methacrylate,2-{methyl[(nonafluorobutyl)sulfonyl]amino}ethyl methacrylate,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H12F9NO4S/c1-6(2)7(22)25-5-4-21(3)26(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h1,4-5H2,2-3H3",C11H12F9NO4S,,,,,,BEIWUHUHJDEMQO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.653,266-738-2,67584-60-5,2-[methyl[(undecafluoropentyl)sulphonyl]amino]ethyl methacrylate,2-{methyl[(undecafluoropentyl)sulfonyl]amino}ethyl methacrylate,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H12F11NO4S/c1-6(2)7(25)28-5-4-24(3)29(26,27)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h1,4-5H2,2-3H3",C12H12F11NO4S,,,,,,ADSKDYCFRLKFDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.661,266-747-1,67589-54-2,p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate,4-propoxyphenyl 4-pentylcyclohexanecarboxylate,CCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(OCCC)cc2,CCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(OCCC)cc2,"InChI=1/C21H32O3/c1-3-5-6-7-17-8-10-18(11-9-17)21(22)24-20-14-12-19(13-15-20)23-16-4-2/h12-15,17-18H,3-11,16H2,1-2H3",C21H32O3,,,,,,ZAUPPIHFDVKVJM-IYARVYRRSA-N,,,,,,,,,,,
100.060.662,266-748-7,67589-72-4,4-pentylphenyl 4-pentylcyclohexanecarboxylate,4-pentylphenyl 4-pentylcyclohexanecarboxylate,CCCCCC1CCC(CC1)C(=O)Oc2ccc(CCCCC)cc2,CCCCCC1CCC(CC1)C(=O)Oc2ccc(CCCCC)cc2,"InChI=1/C23H36O2/c1-3-5-7-9-19-11-15-21(16-12-19)23(24)25-22-17-13-20(14-18-22)10-8-6-4-2/h13-14,17-19,21H,3-12,15-16H2,1-2H3",C23H36O2,,,,,,LRWYNCNGLGBMSP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.186,261-824-6,59609-05-1,"2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(oxy)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane]","2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane)",CC(C)(COP1OCC(C)(C)CO1)COP2OCC(C)(C)CO2,CC(C)(COP1OCC(C)(C)CO1)COP2OCC(C)(C)CO2,"InChI=1/C15H30O6P2/c1-13(2,7-16-22-18-9-14(3,4)10-19-22)8-17-23-20-11-15(5,6)12-21-23/h7-12H2,1-6H3",C15H30O6P2,,,,,,KGIIHYQJALVRLD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.187,261-825-1,59609-46-0,2-methoxyethyl 2-butenoate,2-methoxyethyl but-2-enoate,O=C(C=CC)OCCOC,O=C(C=CC)OCCOC,"InChI=1/C7H12O3/c1-3-4-7(8)10-6-5-9-2/h3-4H,5-6H2,1-2H3",C7H12O3,,,,,,LLVLGFMFODDBTA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.312,259-763-5,55698-26-5,"Disodium 4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-3',5-dimethyl-4'-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-3-sulphonate","disodium 3',5-dimethyl-4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-3-sulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c6cc(c(N=NC5C(\\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)c(C)c6)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c6cc(c(N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)c(C)c6)S([O-])(=O)=O,"InChI=1/C37H32N6O10S3.2Na/c1-22-5-14-32(15-6-22)56(51,52)53-30-12-8-28(9-13-30)38-39-33-18-7-26(19-23(33)2)27-20-24(3)35(34(21-27)55(48,49)50)40-41-36-25(4)42-43(37(36)44)29-10-16-31(17-11-29)54(45,46)47;;/h5-21,36H,1-4H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C37H32N6O10S3.2Na,,,,,,XGVRDYRFXLMBHH-UHFFFAOYSA-L,,,,,,,,,,,
100.054.315,259-766-1,55699-10-0,"4-tert-butyl-3-hydroxy-2,6-xylylacetonitrile","(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile",Cc1cc(c(O)c(C)c1CC#N)C(C)(C)C,Cc1cc(c(O)c(C)c1CC#N)C(C)(C)C,"InChI=1/C14H19NO/c1-9-8-12(14(3,4)5)13(16)10(2)11(9)6-7-15/h8,16H,6H2,1-5H3",C14H19NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11381,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.315,OUKJZHRCKQJXSU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.322,259-774-5,55719-85-2,Phenethyl 2-methylcrotonate,2-phenylethyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCCc1ccccc1,C\C=C(/C)\C(=O)OCCc1ccccc1,"InChI=1/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3",C13H16O2,,,,,,KVMWYGAYARXPOL-QDEBKDIKSA-N,,,,,,,,,,,
100.054.329,259-781-3,55730-89-7,"5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-one","5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one",CC(=O)CC=CC1C\\C=C(\\C)C1(C)C,CC(=O)CC=CC1C\C=C(\C)C1(C)C,"InChI=1/C13H20O/c1-10-8-9-12(13(10,3)4)7-5-6-11(2)14/h5,7-8,12H,6,9H2,1-4H3",C13H20O,,,,,,BLZZNBSCWYINFA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.331,259-783-4,55740-80-2,(S)-3-(isopropyl)pyridine,3-isopropylpyridine,CC(C)c1cccnc1,CC(C)c1cccnc1,"InChI=1/C8H11N/c1-7(2)8-4-3-5-9-6-8/h3-7H,1-2H3",C9H13N,,,,,,PUACTIIESPYWSI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.333,259-786-0,55745-35-2,"1-[(2,3-dihydro-5-benzofuranyl)methyl]-4-thiazol-2-ylpiperazine","1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine",C(N1CCN(CC1)c2nccs2)c3ccc4OCCc4c3,C(N1CCN(CC1)c2nccs2)c3ccc4OCCc4c3,"InChI=1/C16H19N3OS/c1-2-15-14(3-9-20-15)11-13(1)12-18-5-7-19(8-6-18)16-17-4-10-21-16/h1-2,4,10-11H,3,5-9,12H2",C16H19N3OS,,,,,,PZGCFBVHUMLXBW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.264,252-007-5,34417-26-0,Sodium tetraoctylaluminate,sodium tetraoctylaluminate(1-),[Na+].CCCCCCCC[Al-](CCCCCCCC)(CCCCCCCC)CCCCCCCC,[Na+].CCCCCCCC[Al-](CCCCCCCC)(CCCCCCCC)CCCCCCCC,"InChI=1/4C8H17.Al.Na/c4*1-3-5-7-8-6-4-2;;/h4*1,3-8H2,2H3;;/q;;;;-1;+1/rC32H68Al.Na/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;/q-1;+1",C32H68Al.Na,,,,,,BWDGDLVPRLPLGN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.269,252-012-2,34425-84-8,"Sodium 2,4-dichloro-3,5-xylenolate","sodium 2,6-dichloro-3,5-dimethylphenolate",Cc1cc(C)c(Cl)c(O[Na])c1Cl,Cc1cc(C)c(Cl)c(O[Na])c1Cl,"InChI=1/C8H8Cl2O.Na/c1-4-3-5(2)7(10)8(11)6(4)9;/h3,11H,1-2H3;/q;+1/p-1",C8H8Cl2O.Na,,,,,,NMULXDJVOJAUOY-UHFFFAOYSA-M,,,,,,,,,,,
100.047.275,252-019-0,34432-89-8,"6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzimidazolium chloride","6-chloro-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazol-1-ium chloride",[Cl-].CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C,[Cl-].CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C,"InChI=1/C20H23ClN6.ClH/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;/h6-9,12-13H,4-5,11,14H2,1-3H3;1H",C20H22ClN6.Cl,,,,,,DWYRDQVEQVWYSB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.279,252-023-2,34433-86-8,3-bromopiperidin-2-one,3-bromopiperidin-2-one,BrC1CCCNC1=O,BrC1CCCNC1=O,"InChI=1/C5H8BrNO/c6-4-2-1-3-7-5(4)8/h4H,1-3H2,(H,7,8)",C5H8BrNO,,,,,,CJFHQJDFNSXAOC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.281,252-025-3,34437-34-8,(carboxymethyl)trimethylammonium D-glucuronate,"carboxy-N,N,N-trimethylmethanaminium 2,3,4,5-tetrahydroxy-6-oxohexanoate (non-preferred name)",C[N+](C)(C)CC(=O)O.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-],C[N+](C)(C)CC(=O)O.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-],"InChI=1/C6H10O7.C5H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-6(2,3)4-5(7)8/h1-5,8-11H,(H,12,13);4H2,1-3H3",C6H9O7.C5H12NO2,,,,,,NTRGSJJAAMSXHU-JSCKKFHOSA-N,,,,,,,,,,,
100.047.283,252-027-4,34443-09-9,Didecyl peroxydicarbonate,didecyl ethanediperoxoate,CCCCCCCCCCOOC(=O)C(=O)OOCCCCCCCCCC,CCCCCCCCCCOOC(=O)C(=O)OOCCCCCCCCCC,"InChI=1/C22H42O6/c1-3-5-7-9-11-13-15-17-19-25-27-21(23)22(24)28-26-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",C22H42O6,,,,,,NMDKVIXSODVDJT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.290,252-035-8,34449-89-3,"N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulphonamide","N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamide",CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H10F9NO3S/c1-2-18(3-4-19)22(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h19H,2-4H2,1H3",C8H10F9NO3S,,,,,,ZSBOIPHQFKYRMG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.291,252-036-3,34451-19-9,Butyl (S)-2-hydroxypropionate,butyl 2-hydroxypropanoate,CCCCOC(=O)[C@H](C)O,CCCCOC(=O)[C@H](C)O,"InChI=1/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3",C7H14O3,,,,,,MRABAEUHTLLEML-LURJTMIESA-N,,,,,,,,,,,
100.059.324,265-276-9,64920-29-2,Ethyl 2-oxo-4-phenylbutyrate,ethyl 2-oxo-4-phenylbutanoate,CCOC(=O)C(=O)CCc1ccccc1,CCOC(=O)C(=O)CCc1ccccc1,"InChI=1/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C12H14O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18726,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.324,STPXIOGYOLJXMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.325,265-277-4,64924-62-5,4-heptyl-N-phenylaniline,4-heptyl-N-phenylaniline,CCCCCCCc1ccc(Nc2ccccc2)cc1,CCCCCCCc1ccc(Nc2ccccc2)cc1,"InChI=1/C19H25N/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)20-18-11-8-6-9-12-18/h6,8-9,11-16,20H,2-5,7,10H2,1H3",C19H25N,,,,,,FHJMSDCQQHIAFG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.328,265-281-6,64924-65-8,4-heptyl-N-(4-heptylphenyl)aniline,4-heptyl-N-(4-heptylphenyl)aniline,CCCCCCCc1ccc(Nc2ccc(CCCCCCC)cc2)cc1,CCCCCCCc1ccc(Nc2ccc(CCCCCCC)cc2)cc1,"InChI=1/C26H39N/c1-3-5-7-9-11-13-23-15-19-25(20-16-23)27-26-21-17-24(18-22-26)14-12-10-8-6-4-2/h15-22,27H,3-14H2,1-2H3",C26H39N,,,,,,TVDZNGHKRSKPCD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.331,265-284-2,64929-56-2,"5,6-dihydro-4,5-dimethyl-2-(2-methyl-1-propenyl)-2H-pyran","3,4-dimethyl-6-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran",CC1COC(C=C(C)C)C=C1C,CC1COC(C=C(C)C)C=C1C,"InChI=1/C11H18O/c1-8(2)5-11-6-9(3)10(4)7-12-11/h5-6,10-11H,7H2,1-4H3",C11H18O,,,,,,WGEIRZDNNHZMRY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.335,265-288-4,64953-12-4,Disodium 7-[[carboxylato(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,disodium 7-{[carboxylato(4-hydroxyphenyl)acetyl]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].[Na+].COC1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C3OCC(=C(N3C1=O)C(=O)[O-])CSc4nnnn4C,[Na+].[Na+].COC1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C3OCC(=C(N3C1=O)C(=O)[O-])CSc4nnnn4C,"InChI=1/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2",C20H20N6O9S.2Na,,,,,,GRIXGZQULWMCLU-UHFFFAOYSA-L,,,,,,,,,,,
100.059.347,265-301-3,64988-06-3,o-(ethoxymethyl)anisole,1-(ethoxymethyl)-2-methoxybenzene,CCOCc1ccccc1OC,CCOCc1ccccc1OC,"InChI=1/C10H14O2/c1-3-12-8-9-6-4-5-7-10(9)11-2/h4-7H,3,8H2,1-2H3",C10H14O2,,,,,,DEYIKSBEIOIJCD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.349,265-303-4,65000-33-1,3-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]-N-ethylpropionamide,N~3~-(2-cyanoethyl)-N-ethyl-N~3~-{4-[(4-nitrophenyl)diazenyl]phenyl}-beta-alaninamide,CCNC(=O)CCN(CCC#N)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2,CCNC(=O)CCN(CCC#N)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2,"InChI=1/C20H22N6O3/c1-2-22-20(27)12-15-25(14-3-13-21)18-8-4-16(5-9-18)23-24-17-6-10-19(11-7-17)26(28)29/h4-11H,2-3,12,14-15H2,1H3,(H,22,27)",C20H22N6O3,,,,,,ZMCMFCFTNCYBBL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.364,265-320-7,65036-69-3,"Disodium 4,4'-bis[(4-methoxyphenyl)azo]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-methoxyphenyl)diazenyl]benzenesulfonate}",[Na+].[Na+].COc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(OC)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,[Na+].[Na+].COc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(OC)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,"InChI=1/C28H24N4O8S2.2Na/c1-39-25-13-9-21(10-14-25)29-31-23-7-5-19(27(17-23)41(33,34)35)3-4-20-6-8-24(18-28(20)42(36,37)38)32-30-22-11-15-26(40-2)16-12-22;;/h3-18H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C28H24N4O8S2.2Na,,,,,,BIDQMYJLSAMNRO-ZCKCZGSLSA-L,,,,,,,,,,,
100.059.860,265-865-0,65665-49-8,Bis[N-[2-(4-hydrazinophenyl)ethyl]methanesulphonamide] sulphate,N-[2-(4-hydrazinophenyl)ethyl]methanesulfonamide sulfate (2:1),CS(=O)(=O)NCCc1ccc(NN)cc1.CS(=O)(=O)NCCc2ccc(NN)cc2.OS(=O)(=O)O,CS(=O)(=O)NCCc1ccc(NN)cc1.CS(=O)(=O)NCCc2ccc(NN)cc2.OS(=O)(=O)O,"InChI=1/2C9H15N3O2S.H2O4S/c2*1-15(13,14)11-7-6-8-2-4-9(12-10)5-3-8;1-5(2,3)4/h2*2-5,11-12H,6-7,10H2,1H3;(H2,1,2,3,4)",C9H15N3O2S.1/2H2O4S,,,,,,SLIXQXIILREMCB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.866,265-871-3,65678-11-7,3-(tert-butyl)-4-hydroxybenzaldehyde,3-tert-butyl-4-hydroxybenzaldehyde,CC(C)(C)c1cc(C=O)ccc1O,CC(C)(C)c1cc(C=O)ccc1O,"InChI=1/C11H14O2/c1-11(2,3)9-6-8(7-12)4-5-10(9)13/h4-7,13H,1-3H3",C11H14O2,,,,,,IBZZAKITZYDOFP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.869,265-875-5,65689-53-4,"2,2'-bibenzo[b]thiophene","2,2'-bi-1-benzothiophene",c1ccc2sc(cc2c1)c3cc4ccccc4s3,c1ccc2sc(cc2c1)c3cc4ccccc4s3,InChI=1/C16H10S2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-10H,C16H10S2,,,,,,MYRRBWKIXOAHFA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.751,266-847-5,67663-01-8,5-hexyldihydro-4-methylfuran-2(3H)-one,5-hexyl-4-methyldihydrofuran-2(3H)-one,CCCCCCC1OC(=O)CC1C,CCCCCCC1OC(=O)CC1C,"InChI=1/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,XNRLAEXLQFIKEY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.755,266-851-7,67663-05-2,"1-ethylcyclohexane-1,4-dimethanol","(1-ethylcyclohexane-1,4-diyl)dimethanol",CCC1(CO)CCC(CO)CC1,CCC1(CO)CCC(CO)CC1,"InChI=1/C10H20O2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h9,11-12H,2-8H2,1H3",C10H20O2,,,,,,JYQMOHNWAKXCDM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.762,266-859-0,67674-20-8,"N-[5-[(2-hydroxyethyl)sulphonyl]-2,4-dimethoxyphenyl]acetamide","N-{5-[(2-hydroxyethyl)sulfonyl]-2,4-dimethoxyphenyl}acetamide",COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)CCO,COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)CCO,"InChI=1/C12H17NO6S/c1-8(15)13-9-6-12(20(16,17)5-4-14)11(19-3)7-10(9)18-2/h6-7,14H,4-5H2,1-3H3,(H,13,15)",C12H17NO6S,,,,,,ATBMYJLQRLENFC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.577,265-553-4,65151-79-3,"Octadecyl dihydrogen phosphate, compound with morpholine (1:1)",octadecyl dihydrogen phosphate - morpholine (1:1),CCCCCCCCCCCCCCCCCCOP(=O)(O)O.C1COCCN1,CCCCCCCCCCCCCCCCCCOP(=O)(O)O.C1COCCN1,"InChI=1/C18H39O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-6-4-2-5-1/h2-18H2,1H3,(H2,19,20,21);5H,1-4H2",C18H39O4P.C4H9NO,,,,,,ILUZPJBIODEBLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.580,265-557-6,65151-84-0,"Octyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","octyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C8H19O4P.C4H11NO2/c1-2-3-4-5-6-7-8-12-13(9,10)11;6-3-1-5-2-4-7/h2-8H2,1H3,(H2,9,10,11);5-7H,1-4H2",C8H19O4P.C4H11NO2,,,,,,ITSXQPHPQLBAHV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.583,265-560-2,65151-89-5,Sodium octadecadienyl sulphate,"sodium octadeca-1,3-dien-1-yl sulfate",[Na+].[O-]S(=O)(=O)OC=CC=CCCCCCCCCCCCCCC,[Na+].[O-]S(=O)(=O)OC=CC=CCCCCCCCCCCCCCC,"InChI=1/C18H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h15-18H,2-14H2,1H3,(H,19,20,21);/q;+1/p-1",C18H34O4S.Na,,,,,,PHYHEYLWAZJDDA-UHFFFAOYSA-M,,,,,,,,,,,
100.061.612,267-794-0,67923-89-1,"Trilithium 5-amino-4-hydroxy-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate","trilithium 5-amino-4-hydroxy-3-({4'-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)naphthalene-2,7-disulfonate",[Li+].[Li+].[Li+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,[Li+].[Li+].[Li+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H27N5O13S3.3Li/c1-51-27-12-17(7-9-24(27)36-38-26-16-29(54(45,46)47)21-5-3-4-6-22(21)33(26)40)18-8-10-25(28(13-18)52-2)37-39-32-30(55(48,49)50)14-19-11-20(53(42,43)44)15-23(35)31(19)34(32)41;;;/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",C34H27N5O13S3.3Li,,,,,,JBHHMYUWMNUPAY-UHFFFAOYSA-K,,,,,,,,,,,
100.056.254,261-899-5,59737-31-4,"2-[2-[(2,4-dimethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-{2-[(2,4-dimethoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium hydrogen sulfate",COc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.[O-]S(=O)(=O)[O-],COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.[O-]S(=O)(=O)[O-],"InChI=1/C21H24N2O2.H2O4S/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-5(2,3)4/h6-14H,1-5H3;(H2,1,2,3,4)/p-1",C21H25N2O2.HO4S,,,,,,JNVSQOYUWYHNAK-UHFFFAOYSA-M,,,,,,,,,,,
100.056.255,261-900-9,59742-20-0,6-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde,6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde,CC1CC(=CCC1C=O)CCC=C(C)C,CC1CC(=CCC1C=O)CCC=C(C)C,"InChI=1/C14H22O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7,10,12,14H,4,6,8-9H2,1-3H3",C14H22O,,,,,,LDZKQVMZNGHEAT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.259,261-905-6,59742-29-9,"1,2,3,4,5,6,7,8-octahydro-2,5,5-trimethylnaphthalene-2-carbaldehyde","2,5,5-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehyde",CC1(C)CCCC2=C1CCC(C)(C2)C=O,CC1(C)CCCC2=C1CCC(C)(C2)C=O,"InChI=1/C14H22O/c1-13(2)7-4-5-11-9-14(3,10-15)8-6-12(11)13/h10H,4-9H2,1-3H3",C14H22O,,,,,,VDQCJWKBSOEGMC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.262,261-908-2,59748-19-5,"4-pentylphenyl 4'-pentyl[1,1'-biphenyl]-4-carboxylate",4-pentylphenyl 4'-pentylbiphenyl-4-carboxylate,CCCCCc1ccc(OC(=O)c2ccc(cc2)c3ccc(CCCCC)cc3)cc1,CCCCCc1ccc(OC(=O)c2ccc(cc2)c3ccc(CCCCC)cc3)cc1,"InChI=1/C29H34O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h11-22H,3-10H2,1-2H3",C29H34O2,,,,,,HYRFINJDWFLMME-UHFFFAOYSA-N,,,,,,,,,,,
100.057.667,263-453-5,62201-67-6,"2,2'-[(1-methylpropyl)imino]bisethanol","2,2'-(sec-butylimino)diethanol",CCC(C)N(CCO)CCO,CCC(C)N(CCO)CCO,"InChI=1/C8H19NO2/c1-3-8(2)9(4-6-10)5-7-11/h8,10-11H,3-7H2,1-2H3",C8H19NO2,,,,,,NSUHEKKWYUZSQN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.668,263-454-0,62202-86-2,Butylethylmagnesium,butyl(ethyl)magnesium,CCCC[Mg]CC,CCCC[Mg]CC,"InChI=1/C4H9.C2H5.Mg/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2,2H3;/rC6H14Mg/c1-3-5-6-7-4-2/h3-6H2,1-2H3",C6H14Mg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13366,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.668,MVECFARLYQAUNR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.674,263-460-3,62210-73-5,"3a,4,7,7a-tetrahydro-1,3(2H)-dioxo-4,7-methano-1H-isoindol-2-yl (benzyloxy)formate","2-{[(benzyloxy)carbonyl]oxy}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",O=C(OCc1ccccc1)ON2C(=O)C3C4CC(C=C4)C3C2=O,O=C(OCc1ccccc1)ON2C(=O)C3C4CC(C=C4)C3C2=O,"InChI=1/C17H15NO5/c19-15-13-11-6-7-12(8-11)14(13)16(20)18(15)23-17(21)22-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2",C17H15NO5,,,,,,SSVLHTOYYHGIND-UHFFFAOYSA-N,,,,,,,,,,,
100.056.189,261-827-2,59620-58-5,"Disodium hydrogen 5-[[4'-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate","disodium hydrogen 5-{[4'-({8-amino-1-hydroxy-7-[(4-nitrophenyl)diazenyl]-3,6-disulfonato-2-naphthyl}diazenyl)biphenyl-4-yl]diazenyl}-2-hydroxybenzoate",[H+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c6ccc(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)cc6,[H+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c6ccc(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)cc6,"InChI=1/C35H24N8O12S2.2Na.H2/c36-31-30-20(15-28(56(50,51)52)32(31)41-38-23-9-12-25(13-10-23)43(48)49)16-29(57(53,54)55)33(34(30)45)42-39-22-7-3-19(4-8-22)18-1-5-21(6-2-18)37-40-24-11-14-27(44)26(17-24)35(46)47;;;/h1-17,44-45H,36H2,(H,46,47)(H,50,51,52)(H,53,54,55);;;1H/q;3*+1/p-3",C35H24N8O12S2.2Na,,,,,,OJLROSQSQLGAGD-UHFFFAOYSA-L,,,,,,,,,,,
100.056.195,261-834-0,59642-64-7,"2,9-bis(ethoxypropyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(1-ethoxypropyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",CCOC(CC)N1C(=O)c2ccc3c4ccc5C(=O)N(C(CC)OCC)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56,CCOC(CC)N1C(=O)c2ccc3c4ccc5C(=O)N(C(CC)OCC)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56,"InChI=1/C34H30N2O6/c1-5-25(41-7-3)35-31(37)21-13-9-17-19-11-15-23-30-24(34(40)36(33(23)39)26(6-2)42-8-4)16-12-20(28(19)30)18-10-14-22(32(35)38)29(21)27(17)18/h9-16,25-26H,5-8H2,1-4H3",C34H30N2O6,,,,,,VBUHTNWZJXEZFD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.204,261-844-5,59656-20-1,"2,5-bis(tert-dodecyldithio)-1,3,4-thiadiazole","2,5-bis[(1,1-dimethyldecyl)disulfanyl]-1,3,4-thiadiazole",CCCCCCCCCC(C)(C)SSc1nnc(SSC(C)(C)CCCCCCCCC)s1,CCCCCCCCCC(C)(C)SSc1nnc(SSC(C)(C)CCCCCCCCC)s1,"InChI=1/C26H50N2S5/c1-7-9-11-13-15-17-19-21-25(3,4)32-30-23-27-28-24(29-23)31-33-26(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3",C26H50N2S5,,,,,,XFAHFFMTBQKDHA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.206,261-846-6,59665-02-0,N-(N'-methyl-N'-nitroso(aminomethyl))benzamide,N-{[methyl(nitroso)amino]methyl}benzamide,CN(CNC(=O)c1ccccc1)N=O,CN(CNC(=O)c1ccccc1)N=O,"InChI=1/C9H11N3O2/c1-12(11-14)7-10-9(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,13)",C9H11N3O2,,,,,,ISJYDRMADFXOGD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.613,263-394-5,62062-85-5,"2-butyl-5,6-dihydro-2,4-dimethyl-2H-pyran","6-butyl-4,6-dimethyl-3,6-dihydro-2H-pyran",CCCCC1(C)OCCC(=C1)C,CCCCC1(C)OCCC(=C1)C,"InChI=1/C11H20O/c1-4-5-7-11(3)9-10(2)6-8-12-11/h9H,4-8H2,1-3H3",C11H20O,,,,,,UQKWXXUNZGHJMP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.617,263-398-7,62077-89-8,Dodecyldimethyl[3-(triethoxysilyl)propyl]ammonium chloride,"N,N-dimethyl-N-[3-(triethoxysilyl)propyl]dodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC,[Cl-].CCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC,"InChI=1/C23H52NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-21-24(5,6)22-20-23-28(25-8-2,26-9-3)27-10-4;/h7-23H2,1-6H3;1H/q+1;/p-1",C23H52NO3Si.Cl,,,,,,YWZQRISHIOLKIZ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.624,263-405-3,62103-78-0,Magnesium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate,magnesium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate,[Mg+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Mg+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C18H14N2O6S.Mg/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2",C18H14N2O6S.xMg,,,,,,FYJSNFMJQKHLTI-UHFFFAOYSA-L,,,,,,,,,,,
100.059.267,265-214-0,64743-14-2,"3-[(4,5-dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonic acid","2-hydroxy-5-nitro-3-[(5-oxo-1,3-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonic acid",[O-][N+](=O)c4cc(N=NC2\\C(=N/N(c1ccccc1)C2=O)c3ccccc3)c(O)c(c4)S(O)(=O)=O,[O-][N+](=O)c4cc(N=NC2\C(=N/N(c1ccccc1)C2=O)c3ccccc3)c(O)c(c4)S(O)(=O)=O,"InChI=1/C21H15N5O7S/c27-20-16(11-15(26(29)30)12-17(20)34(31,32)33)22-23-19-18(13-7-3-1-4-8-13)24-25(21(19)28)14-9-5-2-6-10-14/h1-12,19,27H,(H,31,32,33)",C21H15N5O7S,,,,,,YSPMRORHTQVGCD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.774,265-770-4,65416-34-4,"3-(4,8-dimethylnon-7-enyl)-3-methyloxirane-2-carboxylic acid","3-(4,8-dimethylnon-7-en-1-yl)-3-methyloxirane-2-carboxylic acid",CC(CCCC1(C)OC1C(=O)O)CCC=C(C)C,CC(CCCC1(C)OC1C(=O)O)CCC=C(C)C,"InChI=1/C15H26O3/c1-11(2)7-5-8-12(3)9-6-10-15(4)13(18-15)14(16)17/h7,12-13H,5-6,8-10H2,1-4H3,(H,16,17)",C15H26O3,,,,,,HNKTWOAOIFUVAM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.776,265-773-0,65416-36-6,3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carboxylic acid,3-methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carboxylic acid,CC(=CCCC1(C)OC1C(=O)O)C,CC(=CCCC1(C)OC1C(=O)O)C,"InChI=1/C10H16O3/c1-7(2)5-4-6-10(3)8(13-10)9(11)12/h5,8H,4,6H2,1-3H3,(H,11,12)",C10H16O3,,,,,,BLQCRPVVVAHWGF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.783,265-780-9,65445-74-1,"1,2-dihydropyridazine-3,6-dione, compound with dimethylamine (1:1)","1,2-dihydropyridazine-3,6-dione - N-methylmethanamine (1:1)",CNC.O=C1NNC(=O)C=C1,CNC.O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2.C2H7N/c7-3-1-2-4(8)6-5-3;1-3-2/h1-2H,(H,5,7)(H,6,8);3H,1-2H3",C4H4N2O2.C2H7N,,,,,,NFMHVAAEJHFZKV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.795,265-794-5,65504-94-1,2-ethoxymethylpyrazine,2-(ethoxymethyl)pyrazine,CCOCc1cnccn1,CCOCc1cnccn1,"InChI=1/C7H10N2O/c1-2-10-6-7-5-8-3-4-9-7/h3-5H,2,6H2,1H3",C7H10N2O,,,,,,HAKYWHMNHHQQJR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.667,266-753-4,67599-06-8,"4,4'-methylenebis[N-(1-methylpentylidene)aniline]","4,4'-methylenebis[N-(1-methylpentylidene)aniline]",CC(CCCC)=Nc1ccc(cc1)Cc2ccc(N=C(C)CCCC)cc2,CC(CCCC)=Nc1ccc(cc1)Cc2ccc(N=C(C)CCCC)cc2,"InChI=1/C25H34N2/c1-5-7-9-20(3)26-24-15-11-22(12-16-24)19-23-13-17-25(18-14-23)27-21(4)10-8-6-2/h11-18H,5-10,19H2,1-4H3",C25H34N2,,,,,,JDKFIBYYGNZCBI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.297,252-043-1,34454-97-2,"1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide","1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide",CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h18H,2-3H2,1H3",C7H8F9NO3S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5299,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.297,DSRUAYIFDCHEEV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.302,252-048-9,34461-73-9,"Calcium bis[2-butyl-3-(1,2-diphenylhydrazino)-3-oxopropionate]","calcium bis{2-[(1,2-diphenylhydrazino)carbonyl]hexanoate}",[Ca+2].CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c2ccccc2.CCCCC(C(=O)[O-])C(=O)N(Nc3ccccc3)c4ccccc4,[Ca+2].CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c2ccccc2.CCCCC(C(=O)[O-])C(=O)N(Nc3ccccc3)c4ccccc4,"InChI=1/2C19H22N2O3.Ca/c2*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h2*4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;;+2/p-2",C19H22N2O3.1/2Ca,,,,,,RKINNRASCJRSHD-UHFFFAOYSA-L,,,,,,,,,,,
100.056.513,262-184-0,60329-61-5,"6-chloro-3-phenylpyridazin-4-ol, compound with octylamine (1:1)",6-chloro-3-phenylpyridazin-4-ol - octan-1-amine (1:1),CCCCCCCCN.Oc1cc(Cl)nnc1c2ccccc2,CCCCCCCCN.Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O.C8H19N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-3-4-5-6-7-8-9/h1-6H,(H,12,14);2-9H2,1H3",C10H7ClN2O.C8H19N,,,,,,RFNLTEZHTIKJSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.517,262-188-2,60335-74-2,Tetrahydro-4-methylene-2-phenyl-2H-pyran,4-methylene-2-phenyltetrahydro-2H-pyran,C=C1CCOC(C1)c2ccccc2,C=C1CCOC(C1)c2ccccc2,"InChI=1/C12H14O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,12H,1,7-9H2",C12H14O,,,,,,XCZQYLKHFRXCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.520,262-191-9,60350-13-2,"1,4-dioxa-7,10-diazacyclododecane","1,4-dioxa-7,10-diazacyclododecane",C1CNCCOCCOCCN1,C1CNCCOCCOCCN1,"InChI=1/C8H18N2O2/c1-2-10-4-6-12-8-7-11-5-3-9-1/h9-10H,1-8H2",C8H18N2O2,,,,,,SJTSRPKYKAQUKM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.532,262-204-8,60376-73-0,Methyl 3-[[[(dimethylamino)methylene]amino]sulphonyl]-5-nitro-4-phenoxybenzoate,methyl 3-{[(dimethylamino)methylene]sulfamoyl}-5-nitro-4-phenoxybenzoate,CN(C)C=NS(=O)(=O)c2cc(cc([N+]([O-])=O)c2Oc1ccccc1)C(=O)OC,CN(C)C=NS(=O)(=O)c2cc(cc([N+]([O-])=O)c2Oc1ccccc1)C(=O)OC,"InChI=1/C17H17N3O7S/c1-19(2)11-18-28(24,25)15-10-12(17(21)26-3)9-14(20(22)23)16(15)27-13-7-5-4-6-8-13/h4-11H,1-3H3",C17H17N3O7S,,,,,,YPJZKQJKYXBDDW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.536,262-209-5,60388-20-7,3-carboxy-1-methylpyridinium toluene-p-sulphonate,3-carboxy-1-methylpyridinium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2cccc(c2)C(=O)O,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2cccc(c2)C(=O)O,"InChI=1/C7H7NO2.C7H8O3S/c1-8-4-2-3-6(5-8)7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)",C7H8NO2.C7H7O3S,,,,,,WHOCGBIEBJQMMS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.538,262-211-6,60388-36-5,4-(trifluoromethyl)benzothiazol-2-amine,"4-(trifluoromethyl)-1,3-benzothiazol-2-amine",Nc1nc2c(cccc2s1)C(F)(F)F,Nc1nc2c(cccc2s1)C(F)(F)F,"InChI=1/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)13-7(12)14-5/h1-3H,(H2,12,13)",C8H5F3N2S,,,,,,FGZBTCDIPNGYRC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.553,262-227-3,60416-24-2,Cyclohexylpropyl acetate,1-cyclohexylpropyl acetate,CCC(OC(=O)C)C1CCCCC1,CCC(OC(=O)C)C1CCCCC1,"InChI=1/C11H20O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h10-11H,3-8H2,1-2H3",C11H20O2,,,,,,NGDJXKQCYPJVCL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.489,264-357-6,63589-59-3,Iron(2+) ethylenediammonium sulphate,"iron(2+) sulfate - ethane-1,2-diamine (1:1)",[Fe+2].NCCN.[O-]S([O-])(=O)=O,[Fe+2].NCCN.[O-]S([O-])(=O)=O,"InChI=1/C2H8N2.Fe.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;;(H2,1,2,3,4)/q;+2;/p-2",C2H8N2.Fe.2H2O4S,,,,,,NDZHLXSYTZUMJM-UHFFFAOYSA-L,,,,,,,,,,,
100.058.495,264-363-9,63608-13-9,4-(phenoxymethyl)piperidinium chloride,4-(phenoxymethyl)piperidinium chloride,[Cl-].C(Oc1ccccc1)C2CC[NH2+]CC2,[Cl-].C(Oc1ccccc1)C2CC[NH2+]CC2,"InChI=1/C12H17NO.ClH/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11;/h1-5,11,13H,6-10H2;1H",C12H17NO.ClH,,,,,,XRWWXZPTHSCQPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.126,266-160-0,66104-73-2,"3-(benzoyloxy)-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]naphthalene-1-sulphonyl chloride","4-(chlorosulfonyl)-1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-2-naphthyl benzoate",ClS(=O)(=O)c5cc(OC(=O)c1ccccc1)c(N=NC3C(\\C)=N/N(c2ccccc2)C3=O)c4ccccc45,ClS(=O)(=O)c5cc(OC(=O)c1ccccc1)c(N=NC3C(\C)=N/N(c2ccccc2)C3=O)c4ccccc45,"InChI=1/C27H19ClN4O5S/c1-17-24(26(33)32(31-17)19-12-6-3-7-13-19)29-30-25-21-15-9-8-14-20(21)23(38(28,35)36)16-22(25)37-27(34)18-10-4-2-5-11-18/h2-16,24H,1H3",C27H19ClN4O5S,,,,,,COOWXSUBTWEXRC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.342,259-796-5,55762-18-0,(Z)-1-(hex-3-enyl)cyclopentan-1-ol,1-hex-3-en-1-ylcyclopentanol,CC\\C=C/CCC1(O)CCCC1,CC\C=C/CCC1(O)CCCC1,"InChI=1/C11H20O/c1-2-3-4-5-8-11(12)9-6-7-10-11/h3-4,12H,2,5-10H2,1H3",C11H20O,,,,,,HYSWZRKILAMFEE-ARJAWSKDSA-N,,,,,,,,,,,
100.054.346,259-800-5,55764-23-3,"2,5-dimethylfuran-3-thiol","2,5-dimethylfuran-3-thiol",Cc1oc(C)c(S)c1,Cc1oc(C)c(S)c1,"InChI=1/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3",C6H8OS,,,,,,DBBHCZMXKBCICL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.763,266-860-6,67674-21-9,Sodium 2-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-5-nitrobenzenesulphonate,sodium 2-({4-[(4-hydroxyphenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonate,[Na+].Oc3ccc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)cc3,[Na+].Oc3ccc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)cc3,"InChI=1/C18H14N4O6S.Na/c23-16-8-5-14(6-9-16)21-20-13-3-1-12(2-4-13)19-17-10-7-15(22(24)25)11-18(17)29(26,27)28;/h1-11,19,23H,(H,26,27,28);/q;+1/p-1",C18H14N4O6S.Na,,,,,,CJNUNQHAMCRMMS-UHFFFAOYSA-M,,,,,,,,,,,
100.060.772,266-870-0,67674-30-0,"N-[5-[(2-hydroxyethyl)sulphonyl]-2,4-dimethylphenyl]acetamide","N-{5-[(2-hydroxyethyl)sulfonyl]-2,4-dimethylphenyl}acetamide",CC(=O)Nc1cc(c(C)cc1C)S(=O)(=O)CCO,CC(=O)Nc1cc(c(C)cc1C)S(=O)(=O)CCO,"InChI=1/C12H17NO4S/c1-8-6-9(2)12(18(16,17)5-4-14)7-11(8)13-10(3)15/h6-7,14H,4-5H2,1-3H3,(H,13,15)",C12H17NO4S,,,,,,APKKTXVDDACAIN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.775,266-873-7,67674-35-5,"Tetrahydro-6,6-dimethyl-3-(1-methylethyl)-2H-pyran-2-one","3-isopropyl-6,6-dimethyltetrahydro-2H-pyran-2-one",CC(C)C1CCC(C)(C)OC1=O,CC(C)C1CCC(C)(C)OC1=O,"InChI=1/C10H18O2/c1-7(2)8-5-6-10(3,4)12-9(8)11/h7-8H,5-6H2,1-4H3",C10H18O2,,,,,,FWUVBKJRLSFCQW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.776,266-874-2,67674-36-6,"(2E,6Z)-1,1-diethoxynona-2,6-diene","1,1-diethoxynona-2,6-diene",CCOC(OCC)\\C=C\\CC\\C=C/CC,CCOC(OCC)\C=C\CC\C=C/CC,"InChI=1/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3",C13H24O2,,,,,,GCIRJCKOUVCUBZ-OFALOCIGSA-N,,,,,,,,,,,
100.056.005,261-625-4,59146-94-0,"Phosphoric acid, dodecyl ester, compd. with 2,2',2''-nitrilotris[ethanol]","dodecyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,CCCCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C12H27O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H2,13,14,15);8-10H,1-6H2",-,,,,,,BIHQJMSIEXRWPS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.006,261-627-5,59149-19-8,N-(3-hydroxyphenyl)benzenesulphonamide,N-(3-hydroxyphenyl)benzenesulfonamide,Oc1cccc(NS(=O)(=O)c2ccccc2)c1,Oc1cccc(NS(=O)(=O)c2ccccc2)c1,"InChI=1/C12H11NO3S/c14-11-6-4-5-10(9-11)13-17(15,16)12-7-2-1-3-8-12/h1-9,13-14H",C12H11NO3S,,,,,,JKQZPAGBJKFTQC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.013,261-634-3,59157-52-7,"2-ethylhexyl 12-ethyl-5-[[3-[(2-ethylhexyl)oxy]-3-oxopropyl]thio]-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate","2-ethylhexyl 12-ethyl-5-({3-[(2-ethylhexyl)oxy]-3-oxopropyl}sulfanyl)-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecan-1-oate",CCCCCCCC[Sn](SCCC(=O)OCC(CC)CCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC,CCCCCCCC[Sn](SCCC(=O)OCC(CC)CCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC,"InChI=1/3C11H22O2S.C8H17.Sn/c3*1-3-5-6-10(4-2)9-13-11(12)7-8-14;1-3-5-7-8-6-4-2;/h3*10,14H,3-9H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC41H80O6S3Sn/c1-8-15-19-20-21-22-32-51(48-29-26-39(42)45-33-36(12-5)23-16-9-2,49-30-27-40(43)46-34-37(13-6)24-17-10-3)50-31-28-41(44)47-35-38(14-7)25-18-11-4/h36-38H,8-35H2,1-7H3",C41H80O6S3Sn,,,,,,PRCMHRHZMBQCLK-UHFFFAOYSA-K,,,,,,,,,,,
100.056.014,261-635-9,59158-81-5,"3-(1,1,2,3,3,3-hexafluoropropoxy)propene","3-(1,1,2,3,3,3-hexafluoropropoxy)prop-1-ene",FC(C(F)(F)F)C(F)(F)OCC=C,FC(C(F)(F)F)C(F)(F)OCC=C,"InChI=1/C6H6F6O/c1-2-3-13-6(11,12)4(7)5(8,9)10/h2,4H,1,3H2",C6H6F6O,,,,,,ADXLBHULARLUSE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.015,261-636-4,59160-29-1,Lidofenin,"2,2'-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}imino)diacetic acid",Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O,Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O,"InChI=1/C14H18N2O5/c1-9-4-3-5-10(2)14(9)15-11(17)6-16(7-12(18)19)8-13(20)21/h3-5H,6-8H2,1-2H3,(H,15,17)(H,18,19)(H,20,21)",C14H18N2O5,,,,,,DJQJFMSHHYAZJD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.018,261-640-6,59173-04-5,"Quinoxalin-2-ylmethyl hydrogen succinate N,N'-dioxide","4-[(1,4-dioxidoquinoxalin-2-yl)methoxy]-4-oxobutanoic acid",OC(=O)CCC(=O)OCc1cn(=O)c2ccccc2n1=O,OC(=O)CCC(=O)OCc1cn(=O)c2ccccc2n1=O,"InChI=1/C13H12N2O6/c16-12(17)5-6-13(18)21-8-9-7-14(19)10-3-1-2-4-11(10)15(9)20/h1-4,7H,5-6,8H2,(H,16,17)",C13H12N2O6,,,,,,IOSJFOUIOJBUSW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.036,261-660-5,59214-63-0,2-hydroxy-3-[3-(trimethoxysilyl)propoxy]propyl methacrylate,2-hydroxy-3-[3-(trimethoxysilyl)propoxy]propyl methacrylate,CO[Si](CCCOCC(O)COC(=O)C(=C)C)(OC)OC,CO[Si](CCCOCC(O)COC(=O)C(=C)C)(OC)OC,"InChI=1/C13H26O7Si/c1-11(2)13(15)20-10-12(14)9-19-7-6-8-21(16-3,17-4)18-5/h12,14H,1,6-10H2,2-5H3",C13H26O7Si,,,,,,GQRWUHJMNHNCBL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.044,261-668-9,59227-89-3,Laurocapram,1-dodecylazepan-2-one,CCCCCCCCCCCCN1CCCCCC1=O,CCCCCCCCCCCCN1CCCCCC1=O,"InChI=1/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3",C18H35NO,,,,,,AXTGDCSMTYGJND-UHFFFAOYSA-N,,,,,,,,,,,
100.057.950,263-765-1,62933-31-7,1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-2-one,1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-2-one,Fc1ccc2[nH]cc(CCN3CCCCC3=O)c2c1,Fc1ccc2[nH]cc(CCN3CCCCC3=O)c2c1,"InChI=1/C15H17FN2O/c16-12-4-5-14-13(9-12)11(10-17-14)6-8-18-7-2-1-3-15(18)19/h4-5,9-10,17H,1-3,6-8H2",C15H17FN2O,,,,,,PDZUDLSGYIIFCW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.679,263-466-6,62223-58-9,"4-[[5-[[4-[(2-carboxy-4-sulphophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-{[5-({4-[(2-carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(cc4)S(O)(=O)=O)c(c5)C(O)=O,OS(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(cc4)S(O)(=O)=O)c(c5)C(O)=O,"InChI=1/C26H18ClN9O14S3/c27-24-30-25(32-26(31-24)29-16-7-6-14(52(45,46)47)10-15(16)22(38)39)28-11-1-8-18(53(48,49)50)17(9-11)33-34-19-20(23(40)41)35-36(21(19)37)12-2-4-13(5-3-12)51(42,43)44/h1-10,19H,(H,38,39)(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,28,29,30,31,32)",C26H18ClN9O14S3,,,,,,OEXWFTBEVWOXEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.682,263-469-2,62232-91-1,3-methyl-1-phenylpent-1-en-3-ol,3-methyl-1-phenylpent-1-en-3-ol,CC(O)(C=Cc1ccccc1)CC,CC(O)(C=Cc1ccccc1)CC,"InChI=1/C12H16O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3",C12H16O,,,,,,BMZIBDNSLIDIFP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.684,263-471-3,62256-00-2,2-ethylhexyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate,2-ethylhexyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate,CCCCC(CC)COC(=O)C1CCC2OC2C1,CCCCC(CC)COC(=O)C1CCC2OC2C1,"InChI=1/C15H26O3/c1-3-5-6-11(4-2)10-17-15(16)12-7-8-13-14(9-12)18-13/h11-14H,3-10H2,1-2H3",C15H26O3,,,,,,ABAMRJVWDHJBTI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.692,263-480-2,62266-63-1,Methyl 6-methylcyclohex-3-ene-1-carboxylate,methyl 6-methylcyclohex-3-ene-1-carboxylate,COC(=O)C1CC=CCC1C,COC(=O)C1CC=CCC1C,"InChI=1/C9H14O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-4,7-8H,5-6H2,1-2H3",C9H14O2,,,,,,SVMRMDDGGIZFQN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.694,263-482-3,62268-71-7,1-cyclohexyl-4-hexylbenzene,1-cyclohexyl-4-hexylbenzene,CCCCCCc1ccc(cc1)C2CCCCC2,CCCCCCc1ccc(cc1)C2CCCCC2,"InChI=1/C18H28/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h12-15,17H,2-11H2,1H3",C18H28,,,,,,ZVVKBAKPLNVTNG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.698,263-487-0,62284-79-1,"(S)-6-(p-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalate","6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole oxalate",OC(=O)C(=O)O.Brc1ccc(cc1)[C@H]2CN3CCSC3=N2,OC(=O)C(=O)O.Brc1ccc(cc1)[C@H]2CN3CCSC3=N2,"InChI=1/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)",C11H11BrN2S.C2H2O4,,,,,,ZULBIBHDIQCNIS-HNCPQSOCSA-N,,,,,,,,,,,
100.057.706,263-495-4,62306-04-1,"5,6-dimethoxy-2-methylbenzothiazole","5,6-dimethoxy-2-methyl-1,3-benzothiazole",COc1cc2nc(C)sc2cc1OC,COc1cc2nc(C)sc2cc1OC,"InChI=1/C10H11NO2S/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6/h4-5H,1-3H3",C10H11NO2S,,,,,,SOWIEKUNTPLSOC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.214,264-055-4,63261-16-5,"3-methylpentane-1,5-diyl bis(chloroformate)","3-methylpentane-1,5-diyl dichlorocarbonate",CC(CCOC(=O)Cl)CCOC(=O)Cl,CC(CCOC(=O)Cl)CCOC(=O)Cl,"InChI=1/C8H12Cl2O4/c1-6(2-4-13-7(9)11)3-5-14-8(10)12/h6H,2-5H2,1H3",C8H12Cl2O4,,,,,,SMXZFLGIIZGAHU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.221,264-063-8,63278-33-1,[(cyanomethoxy)imino]phenylacetonitrile,[(cyanomethoxy)imino](phenyl)acetonitrile,N#CC(=NOCC#N)c1ccccc1,N#CC(=NOCC#N)c1ccccc1,"InChI=1/C10H7N3O/c11-6-7-14-13-10(8-12)9-4-2-1-3-5-9/h1-5H,7H2",C10H7N3O,,,,,,PYKLUAIDKVVEOS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.222,264-064-3,63281-03-8,"5-[[2-chloro-4-(phenylazo)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile","5-{[2-chloro-4-(phenyldiazenyl)phenyl]diazenyl}-4-methyl-2,6-bis{[3-(2-phenoxyethoxy)propyl]amino}nicotinonitrile",Clc5cc(N=Nc1ccccc1)ccc5N=Nc4c(C)c(C#N)c(NCCCOCCOc2ccccc2)nc4NCCCOCCOc3ccccc3,Clc5cc(N=Nc1ccccc1)ccc5N=Nc4c(C)c(C#N)c(NCCCOCCOc2ccccc2)nc4NCCCOCCOc3ccccc3,"InChI=1/C41H43ClN8O4/c1-31-36(30-43)40(44-21-11-23-51-25-27-53-34-15-7-3-8-16-34)46-41(45-22-12-24-52-26-28-54-35-17-9-4-10-18-35)39(31)50-49-38-20-19-33(29-37(38)42)48-47-32-13-5-2-6-14-32/h2-10,13-20,29H,11-12,21-28H2,1H3,(H2,44,45,46)",C41H43ClN8O4,,,,,,SWIMBWSTYURRNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.224,264-066-4,63281-05-0,"4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-5-[[4-(phenylazo)phenyl]azo]nicotinonitrile","4-methyl-2,6-bis{[3-(2-phenoxyethoxy)propyl]amino}-5-{[4-(phenyldiazenyl)phenyl]diazenyl}nicotinonitrile",N#Cc5c(NCCCOCCOc1ccccc1)nc(NCCCOCCOc2ccccc2)c(N=Nc4ccc(N=Nc3ccccc3)cc4)c5C,N#Cc5c(NCCCOCCOc1ccccc1)nc(NCCCOCCOc2ccccc2)c(N=Nc4ccc(N=Nc3ccccc3)cc4)c5C,"InChI=1/C41H44N8O4/c1-32-38(31-42)40(43-23-11-25-50-27-29-52-36-15-7-3-8-16-36)45-41(44-24-12-26-51-28-30-53-37-17-9-4-10-18-37)39(32)49-48-35-21-19-34(20-22-35)47-46-33-13-5-2-6-14-33/h2-10,13-22H,11-12,23-30H2,1H3,(H2,43,44,45)",C41H44N8O4,,,,,,PMWAPTJFFJZQJG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.225,264-068-5,63281-10-7,"5-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile","5-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}-4-methyl-2,6-bis{[3-(2-phenoxyethoxy)propyl]amino}nicotinonitrile",CS(=O)(=O)c4ccc(N=Nc3c(C)c(C#N)c(NCCCOCCOc1ccccc1)nc3NCCCOCCOc2ccccc2)c(Cl)c4,CS(=O)(=O)c4ccc(N=Nc3c(C)c(C#N)c(NCCCOCCOc1ccccc1)nc3NCCCOCCOc2ccccc2)c(Cl)c4,"InChI=1/C36H41ClN6O6S/c1-27-31(26-38)35(39-17-9-19-46-21-23-48-28-11-5-3-6-12-28)41-36(40-18-10-20-47-22-24-49-29-13-7-4-8-14-29)34(27)43-42-33-16-15-30(25-32(33)37)50(2,44)45/h3-8,11-16,25H,9-10,17-24H2,1-2H3,(H2,39,40,41)",C36H41ClN6O6S,,,,,,KHCSUKFEUGAVRT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.226,264-069-0,63281-97-0,(E)-1-chlorohex-3-ene,1-chlorohex-3-ene,CC\\C=C\\CCCl,CC\C=C\CCCl,"InChI=1/C6H11Cl/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3",C6H11Cl,,,,,,ODDBBUZTMLEZBW-ONEGZZNKSA-N,,,,,,,,,,,
100.060.668,266-755-5,67599-07-9,"Bis(2,6-dimethyl-4-nitrophenyl) [(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene)]biscarbamate","bis(2,6-dimethyl-4-nitrophenyl) [(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene)]biscarbamate",Cc1ccc(cc1NC(=O)Oc2c(C)cc(cc2C)[N+](=O)[O-])N3C(=O)N(C3=O)c4ccc(C)c(NC(=O)Oc5c(C)cc(cc5C)[N+](=O)[O-])c4,Cc1ccc(cc1NC(=O)Oc2c(C)cc(cc2C)[N+](=O)[O-])N3C(=O)N(C3=O)c4ccc(C)c(NC(=O)Oc5c(C)cc(cc5C)[N+](=O)[O-])c4,"InChI=1/C34H30N6O10/c1-17-7-9-23(15-27(17)35-31(41)49-29-19(3)11-25(39(45)46)12-20(29)4)37-33(43)38(34(37)44)24-10-8-18(2)28(16-24)36-32(42)50-30-21(5)13-26(40(47)48)14-22(30)6/h7-16H,1-6H3,(H,35,41)(H,36,42)",C34H30N6O8,,,,,,XCXQYMMMWHWPFX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.669,266-756-0,67599-08-0,"Bis(2-oxo-1,2-diphenylethyl) (methylenedicyclohexane-4,1-diyl)dicarbamate","bis(2-oxo-1,2-diphenylethyl) (methylenedicyclohexane-4,1-diyl)biscarbamate",O=C(NC1CCC(CC2CCC(CC2)NC(=O)OC(C(=O)c3ccccc3)c4ccccc4)CC1)OC(C(=O)c5ccccc5)c6ccccc6,O=C(NC1CCC(CC2CCC(CC2)NC(=O)OC(C(=O)c3ccccc3)c4ccccc4)CC1)OC(C(=O)c5ccccc5)c6ccccc6,"InChI=1/C43H46N2O6/c46-38(32-13-5-1-6-14-32)40(34-17-9-3-10-18-34)50-42(48)44-36-25-21-30(22-26-36)29-31-23-27-37(28-24-31)45-43(49)51-41(35-19-11-4-12-20-35)39(47)33-15-7-2-8-16-33/h1-20,30-31,36-37,40-41H,21-29H2,(H,44,48)(H,45,49)",C43H46N2O6,,,,,,YQWPDWHCQZWVLX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.676,266-763-9,67599-16-0,4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-N-(4-chloro-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide,4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(4-chloro-2-methoxyphenyl)-3-hydroxy-2-naphthamide,Clc4cc(OC)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)C(N)=O)c3O)cc4,Clc4cc(OC)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)C(N)=O)c3O)cc4,"InChI=1/C26H21ClN4O5/c1-35-21-10-7-15(25(28)33)12-20(21)30-31-23-17-6-4-3-5-14(17)11-18(24(23)32)26(34)29-19-9-8-16(27)13-22(19)36-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)",C26H21ClN4O5,,,,,,XELAQUCFCFVEEV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.677,266-764-4,67599-17-1,N-(4-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]naphthalene-2-carboxamide,N-(4-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)diazenyl]-2-naphthamide,Clc4cc(OC)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)[N+]([O-])=O)c3O)cc4,Clc4cc(OC)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)[N+]([O-])=O)c3O)cc4,"InChI=1/C25H19ClN4O6/c1-35-21-10-8-16(30(33)34)13-20(21)28-29-23-17-6-4-3-5-14(17)11-18(24(23)31)25(32)27-19-9-7-15(26)12-22(19)36-2/h3-13,31H,1-2H3,(H,27,32)",C25H19ClN4O6,,,,,,NGLOYGPWNUYALP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.678,266-766-5,67599-18-2,4-[(4-chloro-2-methylphenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide,4-[(4-chloro-2-methylphenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)cc4,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)cc4,"InChI=1/C25H20ClN3O3/c1-15-13-17(26)11-12-20(15)28-29-23-18-8-4-3-7-16(18)14-19(24(23)30)25(31)27-21-9-5-6-10-22(21)32-2/h3-14,30H,1-2H3,(H,27,31)",C25H20ClN3O3,,,,,,BVAAXFQAGXGNJD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.682,266-770-7,67614-42-0,4-acetamidophthalic acid,4-acetamidophthalic acid,CC(=O)Nc1ccc(C(=O)O)c(c1)C(=O)O,CC(=O)Nc1ccc(C(=O)O)c(c1)C(=O)O,"InChI=1/C10H9NO5/c1-5(12)11-6-2-3-7(9(13)14)8(4-6)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)",C10H9NO5,,,,,,HFRRJDNGAZANLR-UHFFFAOYSA-N,,,,,,,,,,,
100.060.694,266-783-8,67633-83-4,Sodium 1-octadecyl sulphonatoacetate,sodium 2-(octadecyloxy)-2-oxoethanesulfonate,[Na+].CCCCCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-],"InChI=1/C20H40O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-20(21)19-26(22,23)24;/h2-19H2,1H3,(H,22,23,24);/q;+1/p-1",C20H40O5S.Na,,,,,,DHEFPDMZLDVKSD-UHFFFAOYSA-M,,,,,,,,,,,
100.060.698,266-788-5,67633-87-8,Bis(2-hydroxyethyl)ammonium octyl sulphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium octyl sulfate,CCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,CCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,"InChI=1/C8H18O4S.C4H11NO2/c1-2-3-4-5-6-7-8-12-13(9,10)11;6-3-1-5-2-4-7/h2-8H2,1H3,(H,9,10,11);5-7H,1-4H2",C8H18O4S.C4H11NO2,,,,,,FQEONVSBIOOXJN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.700,266-790-6,67633-89-0,Icosan-1-yl hydrogen sulphate,icosyl hydrogen sulfate,CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O,"InChI=1/C20H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23/h2-20H2,1H3,(H,21,22,23)",C20H42O4S,,,,,,DLFKFFZPKVOYJI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.701,266-791-1,67633-90-3,1-methyl 2-sulphooctanoate,1-methoxy-1-oxooctane-2-sulfonic acid,CCCCCCC(C(=O)OC)S(=O)(=O)O,CCCCCCC(C(=O)OC)S(=O)(=O)O,"InChI=1/C9H18O5S/c1-3-4-5-6-7-8(9(10)14-2)15(11,12)13/h8H,3-7H2,1-2H3,(H,11,12,13)",C9H18O5S,,,,,,WKYWCZMWVIFSDE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.229,261-871-2,59709-07-8,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetate","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium acetate",[O-]C(C)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[O-]C(C)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H20Cl2N5O2.C2H4O2/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;1-2(3)4/h3-11,14-15H,2,12-13H2,1H3;1H3,(H,3,4)/q+1;/p-1",C21H20Cl2N5O2.C2H3O2,,,,,,RDYVMOQUBHURJY-UHFFFAOYSA-M,,,,,,,,,,,
100.054.353,259-807-3,55772-12-8,"Dihydrogen 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(4-methoxy-3-sulphonatophenyl)phenazinium","5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-({8-[ethyl(3-sulfonatobenzyl)amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl}amino)benzenesulfonate",CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(OC)n6)cc5S(=O)(=O)[O-])cc4[n+](c7ccc(OC)c(c7)S(=O)(=O)[O-])c3c2,CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(OC)n6)cc5S(=O)(=O)[O-])cc4[n+](c7ccc(OC)c(c7)S(=O)(=O)[O-])c3c2,"InChI=1/C38H33ClN8O11S3/c1-4-46(21-22-6-5-7-27(16-22)59(48,49)50)25-10-14-29-32(19-25)47(26-11-15-33(57-2)35(20-26)61(54,55)56)31-17-23(8-12-28(31)42-29)40-30-13-9-24(18-34(30)60(51,52)53)41-37-43-36(39)44-38(45-37)58-3/h5-20H,4,21H2,1-3H3,(H4,41,42,43,44,45,48,49,50,51,52,53,54,55,56)/p-2",C38H33ClN8O11S3,,,,,,UOEOXEFTLMDOED-UHFFFAOYSA-L,,,,,,,,,,,
100.054.355,259-809-4,55772-72-0,"2'-anilino-3'-methyl-6'-pyrrolidinylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-3'-methyl-6'-pyrrolidin-1-yl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Cc1cc2Oc3cc(ccc3C4(OC(=O)c5ccccc45)c2cc1Nc6ccccc6)N7CCCC7,Cc1cc2Oc3cc(ccc3C4(OC(=O)c5ccccc45)c2cc1Nc6ccccc6)N7CCCC7,"InChI=1/C31H26N2O3/c1-20-17-28-26(19-27(20)32-21-9-3-2-4-10-21)31(24-12-6-5-11-23(24)30(34)36-31)25-14-13-22(18-29(25)35-28)33-15-7-8-16-33/h2-6,9-14,17-19,32H,7-8,15-16H2,1H3",C31H26N2O3,,,,,,JFNWGAYGVJGNBG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.358,259-813-6,55775-26-3,3-(2-carboxyethyl)-2-methylbenzothiazolium bromide,"3-(2-carboxyethyl)-2-methyl-1,3-benzothiazol-3-ium bromide",[Br-].Cc1sc2ccccc2[n+]1CCC(=O)O,[Br-].Cc1sc2ccccc2[n+]1CCC(=O)O,"InChI=1/C11H11NO2S.BrH/c1-8-12(7-6-11(13)14)9-4-2-3-5-10(9)15-8;/h2-5H,6-7H2,1H3;1H",C11H12NO2S.Br,,,,,,CVSMVTYNERUSSW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.360,259-815-7,55778-17-1,Dimethyl(3-mercaptopropyl)ammonium chloride,"N,N-dimethyl-3-sulfanylpropan-1-aminium chloride",[Cl-].C[NH+](C)CCCS,[Cl-].C[NH+](C)CCCS,"InChI=1/C5H13NS.ClH/c1-6(2)4-3-5-7;/h7H,3-5H2,1-2H3;1H",C5H13NS.ClH,,,,,,HCEREWKVPIQLGP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.503,259-973-7,56057-99-9,5-ethyl-2-prop-1-enylpyridine,5-ethyl-2-prop-1-en-1-ylpyridine,CC=Cc1ccc(cn1)CC,CC=Cc1ccc(cn1)CC,"InChI=1/C10H13N/c1-3-5-10-7-6-9(4-2)8-11-10/h3,5-8H,4H2,1-2H3",C10H13N,,,,,,XIROPQMVYMULAL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.311,252-058-3,34487-85-9,"4-(1H-indol-3-ylmethyl)oxazolidine-2,5-dione","4-(1H-indol-3-ylmethyl)-1,3-oxazolidine-2,5-dione",O=C1NC(Cc2c[nH]c3ccccc23)C(=O)O1,O=C1NC(Cc2c[nH]c3ccccc23)C(=O)O1,"InChI=1/C12H10N2O3/c15-11-10(14-12(16)17-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H,14,16)",C12H10N2O3,,,,,,PZEKHTMDKRBNKY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.318,252-066-7,34506-45-1,Ammonium tridecan-1-yl sulphate,ammonium tridecyl sulfate,[NH4+].CCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C13H28O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);1H3",C13H28O4S.H3N,,,,,,QARFRNDKSATCRL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.325,252-074-0,34535-82-5,1-[4-[2-[(1-methyl-2-phenylethyl)amino]ethoxy]phenyl]propan-1-one hydrochloride,1-(4-{2-[(1-methyl-2-phenylethyl)amino]ethoxy}phenyl)propan-1-one hydrochloride,Cl.CCC(=O)c1ccc(OCCNC(C)Cc2ccccc2)cc1,Cl.CCC(=O)c1ccc(OCCNC(C)Cc2ccccc2)cc1,"InChI=1/C20H25NO2.ClH/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17;/h4-12,16,21H,3,13-15H2,1-2H3;1H",C20H25NO2.ClH,,,,,,JBRMDQPNYSODSK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.334,252-084-5,34552-84-6,Isoxicam,"4-hydroxy-2-methyl-N-(5-methylisoxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide",CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3,CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3,"InChI=1/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)",C14H13N3O5S,,,,,,YYUAYBYLJSNDCX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.349,252-100-0,34580-14-8,"4,9-dihydro-4-(1-methylpiperidin-4-ylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophene-10-one fumarate","4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one but-2-enedioate",CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1.OC(=O)\\C=C\\C(=O)O,CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1.OC(=O)\C=C\C(=O)O,"InChI=1/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)",C19H19NOS.C4H4O4,,,,,,YNQQEYBLVYAWNX-WLHGVMLRSA-N,,,,,,,,,,,
100.047.350,252-101-6,34586-49-7,o-ethylbenzenesulphonyl fluoride,2-ethylbenzenesulfonyl fluoride,CCc1ccccc1S(=O)(=O)F,CCc1ccccc1S(=O)(=O)F,"InChI=1/C8H9FO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h3-6H,2H2,1H3",C8H9FO2S,,,,,,HDUSATIAKUCNTR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.554,262-228-9,60424-44-4,"3,3-dimethylspiro[cyclopropane-1,1'-[1H]indene]-2-carboxylic acid","3,3-dimethylspiro[cyclopropane-1,1'-indene]-2-carboxylic acid",CC1(C)C(C(=O)O)C12C=Cc3ccccc23,CC1(C)C(C(=O)O)C12C=Cc3ccccc23,"InChI=1/C14H14O2/c1-13(2)11(12(15)16)14(13)8-7-9-5-3-4-6-10(9)14/h3-8,11H,1-2H3,(H,15,16)",C14H14O2,,,,,,RXTAQAPVUFGHOU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.952,263-767-2,62942-43-2,(formylmethyl)triphenylphosphonium chloride,(2-oxoethyl)(triphenyl)phosphonium chloride,[Cl-].O=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].O=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C20H18OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H,17H2;1H/q+1;/p-1",C20H18OP.Cl,,,,,,RVEJRPJGKXTQIF-UHFFFAOYSA-M,,,,,,,,,,,
100.057.955,263-770-9,62959-43-7,Magnesium 2-propylvalerate,magnesium bis(2-propylpentanoate),[Mg+2].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-],[Mg+2].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-],"InChI=1/2C8H16O2.Mg/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Mg,,,,,,LKLLHOIUJVEAGU-UHFFFAOYSA-L,,,,,,,,,,,
100.057.960,263-776-1,62972-89-8,2-(2-phenylacetamido)acetaldehyde oxime,N-[2-(hydroxyimino)ethyl]-2-phenylacetamide,O\\N=C/CNC(=O)Cc1ccccc1,O\N=C/CNC(=O)Cc1ccccc1,"InChI=1/C10H12N2O2/c13-10(11-6-7-12-14)8-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2,(H,11,13)",C10H12N2O2,,,,,,ZAUBTQVVIVFNPC-GHXNOFRVSA-N,,,,,,,,,,,
100.057.965,263-781-9,62994-32-5,Heptabromodibenzofuran,"1,2,3,4,6,7,8-heptabromodibenzo[b,d]furan",Brc1cc2c(oc3c(Br)c(Br)c(Br)c(Br)c23)c(Br)c1Br,Brc1cc2c(oc3c(Br)c(Br)c(Br)c(Br)c23)c(Br)c1Br,InChI=1/C12HBr7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H,C12HBr7O,,,,,,JISOUFWSRUCDMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.973,263-790-8,63014-08-4,"N2-[N2-[N-[N-[N-[N-[N2-[1-(2,4-dinitrophenyl)-L-prolyl]-L-glutaminyl]glycyl]-L-isoleucyl]-L-alanyl]glycyl]-L-glutaminyl]-D-arginine","1-(2,4-dinitrophenyl)-L-prolyl-L-glutaminylglycyl-D-isoleucyl-L-alanylglycyl-L-glutaminyl-D-arginine",CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O,CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O,"InChI=1/C40H61N15O15/c1-4-20(2)33(38(64)48-21(3)34(60)46-18-31(58)49-24(11-14-30(42)57)36(62)51-25(39(65)66)7-5-15-45-40(43)44)52-32(59)19-47-35(61)23(10-13-29(41)56)50-37(63)27-8-6-16-53(27)26-12-9-22(54(67)68)17-28(26)55(69)70/h9,12,17,20-21,23-25,27,33H,4-8,10-11,13-16,18-19H2,1-3H3,(H2,41,56)(H2,42,57)(H,46,60)(H,47,61)(H,48,64)(H,49,58)(H,50,63)(H,51,62)(H,52,59)(H,65,66)(H4,43,44,45)",C40H61N15O15,,,,,,WEAKOQKTQAUHGL-RQQQSSCTSA-N,,,,,,,,,,,
100.057.974,263-791-3,63014-09-5,"N2-[N2-[N-[N-[N-[N-[N2-(2,4-dinitrophenyl)-L-glutaminyl]glycyl]-L-isoleucyl]-L-alanyl]glycyl]-L-glutaminyl]-D-arginine","N~2~-(2,4-dinitrophenyl)-L-glutaminylglycyl-D-isoleucyl-L-alanylglycyl-L-glutaminyl-D-arginine",CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)N)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O,CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)N)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O,"InChI=1/C35H54N14O14/c1-4-17(2)29(47-28(53)16-42-31(55)21(9-11-25(36)50)44-20-8-7-19(48(60)61)14-24(20)49(62)63)33(57)43-18(3)30(54)41-15-27(52)45-22(10-12-26(37)51)32(56)46-23(34(58)59)6-5-13-40-35(38)39/h7-8,14,17-18,21-23,29,44H,4-6,9-13,15-16H2,1-3H3,(H2,36,50)(H2,37,51)(H,41,54)(H,42,55)(H,43,57)(H,45,52)(H,46,56)(H,47,53)(H,58,59)(H4,38,39,40)",C35H54N14O14,,,,,,GTWKNJGGCJJJHO-LQDQXGEHSA-N,,,,,,,,,,,
100.057.975,263-792-9,63021-23-8,Bis(2-butoxyethyl) azelate,bis(2-butoxyethyl) azelaate,CCCCOCCOC(=O)CCCCCCCC(=O)OCCOCCCC,CCCCOCCOC(=O)CCCCCCCC(=O)OCCOCCCC,"InChI=1/C21H40O6/c1-3-5-14-24-16-18-26-20(22)12-10-8-7-9-11-13-21(23)27-19-17-25-15-6-4-2/h3-19H2,1-2H3",C21H40O6,,,,,,LOOYQSKMLPFZQX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.365,265-321-2,65036-84-2,N-phenyl-4-(1-phenylethyl)aniline,N-phenyl-4-(1-phenylethyl)aniline,CC(c1ccccc1)c2ccc(Nc3ccccc3)cc2,CC(c1ccccc1)c2ccc(Nc3ccccc3)cc2,"InChI=1/C20H19N/c1-16(17-8-4-2-5-9-17)18-12-14-20(15-13-18)21-19-10-6-3-7-11-19/h2-16,21H,1H3",C20H19N,,,,,,NQVOHIADXFXVKE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.368,265-324-9,65045-86-5,1-mercapto-2-(4-nonylphenoxy)ethyl hydrogen phosphorodithioate,O-[2-(4-nonylphenoxy)-1-sulfanylethyl] hydrogen dithiophosphate,CCCCCCCCCc1ccc(OCC(S)OP(=O)(S)[S-])cc1,CCCCCCCCCc1ccc(OCC(S)OP(=O)(S)[S-])cc1,"InChI=1/C17H29O3PS3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)19-14-17(22)20-21(18,23)24/h10-13,17,22H,2-9,14H2,1H3,(H2,18,23,24)/p-1",C34H55O4PS2,,,,,,PLMRGKRVEQBHRP-UHFFFAOYSA-M,,,,,,,,,,,
100.059.373,265-330-1,65058-23-3,(R)-2-thienylglycine,N-2-thienylglycine,OC(=O)CNc1cccs1,OC(=O)CNc1cccs1,"InChI=1/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)",C6H7NO2S,,,,,,UNQHGXLQKSZYQU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.906,268-117-1,68003-33-8,7-amino-4-[[(p-tolyl)sulphonyl]oxy]naphthalene-2-sulphonic acid,7-amino-4-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-2-sulfonic acid,Cc1ccc(cc1)S(=O)(=O)Oc2cc(cc3cc(N)ccc23)S(=O)(=O)O,Cc1ccc(cc1)S(=O)(=O)Oc2cc(cc3cc(N)ccc23)S(=O)(=O)O,"InChI=1/C17H15NO6S2/c1-11-2-5-14(6-3-11)26(22,23)24-17-10-15(25(19,20)21)9-12-8-13(18)4-7-16(12)17/h2-10H,18H2,1H3,(H,19,20,21)",C17H15NO6S2,,,,,,LPDSDGMZMLAGJR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.909,268-120-8,68003-37-2,5-hydroxy-4-(phenylamino)naphthalenesulphonic acid,4-anilino-5-hydroxynaphthalene-1-sulfonic acid,Oc1cccc2c(ccc(Nc3ccccc3)c12)S(=O)(=O)O,Oc1cccc2c(ccc(Nc3ccccc3)c12)S(=O)(=O)O,"InChI=1/C16H13NO4S/c18-14-8-4-7-12-15(22(19,20)21)10-9-13(16(12)14)17-11-5-2-1-3-6-11/h1-10,17-18H,(H,19,20,21)",C16H13NO4S,,,,,,JJOWOYSYGITZPN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.234,264-077-4,63295-28-3,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C16H8F27O5P/c17-4(18,1-3(44)2-48-49(45,46)47)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(19,15(38,39)40)16(41,42)43/h3,44H,1-2H2,(H2,45,46,47)",C16H8F27O5P,,,,,,NZFUNOLSROCOSD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.236,264-080-0,63295-51-2,"a,2,6-trimethylmorpholin-4-ylethanol","1-(2,6-dimethylmorpholin-4-yl)propan-2-ol",CC(O)CN1CC(C)OC(C)C1,CC(O)CN1CC(C)OC(C)C1,"InChI=1/C9H19NO2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h7-9,11H,4-6H2,1-3H3",C9H19NO2,,,,,,VTTSSRXYYVVNLI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.237,264-081-6,63302-04-5,N-cyclopentylmethylenediamine,N-cyclopentylmethanediamine,NCNC1CCCC1,NCNC1CCCC1,"InChI=1/C6H14N2/c7-5-8-6-3-1-2-4-6/h6,8H,1-5,7H2",C6H14N2,,,,,,QLNNMIUPRPKARZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.238,264-082-1,63302-49-8,Bis(4-nonylphenyl) chlorophosphite,bis(4-nonylphenyl) chlorophosphite,CCCCCCCCCc1ccc(OP(Cl)Oc2ccc(CCCCCCCCC)cc2)cc1,CCCCCCCCCc1ccc(OP(Cl)Oc2ccc(CCCCCCCCC)cc2)cc1,"InChI=1/C30H46ClO2P/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-34(31)33-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26H,3-18H2,1-2H3",C30H46ClO2P,,,,,,XWUQKTYXUWUEDG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.239,264-083-7,63302-54-5,Bis(tert-butylammonium) sulphate,bis(2-methylpropan-2-aminium) sulfate,CC(C)(C)[NH3+].CC(C)(C)[NH3+].[O-]S(=O)(=O)[O-],CC(C)(C)[NH3+].CC(C)(C)[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2C4H11N.H2O4S/c2*1-4(2,3)5;1-5(2,3)4/h2*5H2,1-3H3;(H2,1,2,3,4)",C4H11N.1/2H2O4S,,,,,,JZHIWRJMRVFHOR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.240,264-084-2,63302-64-7,2-ethylhexyl cyclohex-3-ene-1-carboxylate,2-ethylhexyl cyclohex-3-ene-1-carboxylate,CCCCC(CC)COC(=O)C1CCC=CC1,CCCCC(CC)COC(=O)C1CCC=CC1,"InChI=1/C15H26O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-7,13-14H,3-5,8-12H2,1-2H3",C15H26O2,,,,,,OOBVOBFENTULJB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.244,264-088-4,63302-98-7,Tris[(1-methyl-1-phenylethyl)phenyl] phosphate,tris[2-(1-methyl-1-phenylethyl)phenyl] phosphate,CC(C)(c1ccccc1)c2ccccc2OP(=O)(Oc3ccccc3C(C)(C)c4ccccc4)Oc5ccccc5C(C)(C)c6ccccc6,CC(C)(c1ccccc1)c2ccccc2OP(=O)(Oc3ccccc3C(C)(C)c4ccccc4)Oc5ccccc5C(C)(C)c6ccccc6,"InChI=1/C45H45O4P/c1-43(2,34-22-10-7-11-23-34)37-28-16-19-31-40(37)47-50(46,48-41-32-20-17-29-38(41)44(3,4)35-24-12-8-13-25-35)49-42-33-21-18-30-39(42)45(5,6)36-26-14-9-15-27-36/h7-33H,1-6H3",C45H45O4P,,,,,,GRKJROPMIVLNDL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.878,265-884-4,65702-23-0,"3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptane-1-sulphonyl chloride","3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,"InChI=1/C7H4ClF11O2S/c8-22(20,21)2-1-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1-2H2",C7H4ClF11O2S,,,,,,IHLPCLQHYYNLIN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.605,265-584-3,65166-23-6,Sodium 1-acetoxyhexadecanol sulphate,sodium 1-acetoxyhexadecyl sulfate,[Na+].CCCCCCCCCCCCCCCC(OC(=O)C)OS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCC(OC(=O)C)OS(=O)(=O)[O-],"InChI=1/C18H36O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23-17(2)19)24-25(20,21)22;/h18H,3-16H2,1-2H3,(H,20,21,22);/q;+1/p-1",C18H36O6S.Na,,,,,,ZECTZZMOGWQPLD-UHFFFAOYSA-M,,,,,,,,,,,
100.059.608,265-588-5,65168-11-8,1-methyl-4-[2-(3-nitrophenyl)vinyl]cinnolinium toluene-p-sulphonate,1-methyl-4-[2-(3-nitrophenyl)vinyl]cinnolin-1-ium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2ncc(\\C=C\\c3cccc(c3)[N+](=O)[O-])c4ccccc24,Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2ncc(\C=C\c3cccc(c3)[N+](=O)[O-])c4ccccc24,"InChI=1/C17H14N3O2.C7H8O3S/c1-19-17-8-3-2-7-16(17)14(12-18-19)10-9-13-5-4-6-15(11-13)20(21)22;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C17H14N3O2.C7H7O3S,,,,,,IQPKZDLCDCFIOS-RRABGKBLSA-M,,,,,,,,,,,
100.059.612,265-592-7,65174-63-2,1-naphthyl a-D-galactopyranoside,1-naphthyl alpha-D-galactopyranoside,OC[C@H]1O[C@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2",C16H18O6,,,,,,CVAOQMBKGUKOIZ-CWVYHPPDSA-N,,,,,,,,,,,
100.059.616,265-596-9,65180-62-3,"2-[[8-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid","2-[(8-{[4-(bis{2-[(2-chloroethyl)sulfonyl]ethyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-1-hydroxy-3,6-disulfo-2-naphthyl)diazenyl]naphthalene-1,5-disulfonic acid",Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1c(cccc1c2S(O)(=O)=O)S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(n5)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl,Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1c(cccc1c2S(O)(=O)=O)S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(n5)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl,"InChI=1/C31H30Cl3N7O17S6/c32-6-10-59(43,44)12-8-41(9-13-60(45,46)11-7-33)31-37-29(34)36-30(38-31)35-22-16-18(61(47,48)49)14-17-15-24(63(53,54)55)26(27(42)25(17)22)40-39-21-5-4-19-20(28(21)64(56,57)58)2-1-3-23(19)62(50,51)52/h1-5,14-16,42H,6-13H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,35,36,37,38)",C31H30Cl3N7O17S6,,,,,,IVOQXPVUAZBANB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.231,261-873-3,59709-10-3,1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetate,1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium acetate,[O-]C(C)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[O-]C(C)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H21ClN5O2.C2H4O2/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;1-2(3)4/h3-13,16H,2,14-15H2,1H3;1H3,(H,3,4)/q+1;/p-1",C21H21ClN5O2.C2H3O2,,,,,,WQIDMVKHMHGZPN-UHFFFAOYSA-M,,,,,,,,,,,
100.056.232,261-874-9,59709-38-5,Methyl N-[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-({4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]phenyl}imino)dipropanoate (non-preferred name)",Brc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC(=O)OC)CCC(=O)OC)[N+]([O-])=O,Brc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC(=O)OC)CCC(=O)OC)[N+]([O-])=O,"InChI=1/C20H20BrClN4O6/c1-31-18(27)7-9-25(10-8-19(28)32-2)14-5-3-13(4-6-14)23-24-20-16(21)11-15(26(29)30)12-17(20)22/h3-6,11-12H,7-10H2,1-2H3",C20H20BrClN4O6,,,,,,SGXLDQRCIYZKPS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.234,261-877-5,59712-84-4,"(S)-5,5-dimethylthiazolidine-4-carboxylic acid hydrochloride","5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid hydrochloride",Cl.CC1(C)SCN[C@H]1C(=O)O,Cl.CC1(C)SCN[C@H]1C(=O)O,"InChI=1/C6H11NO2S.ClH/c1-6(2)4(5(8)9)7-3-10-6;/h4,7H,3H2,1-2H3,(H,8,9);1H",C6H11NO2S.ClH,,,,,,RQOABAGMTRYNAF-WCCKRBBISA-N,,,,,,,,,,,
100.056.237,261-880-1,59719-74-3,"Cyclopentane-1,3-diol","cyclopentane-1,3-diol",OC1CCC(O)C1,OC1CCC(O)C1,"InChI=1/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2",C5H10O2,,,,,,NUUPJBRGQCEZSI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.246,261-890-6,59729-32-7,"1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide","1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide",Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,"InChI=1/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H",C20H21FN2O.BrH,,,,,,WIHMBLDNRMIGDW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.881,263-689-9,62669-77-6,"9-(2-carboxyphenyl)-3,6-bis(methylamino)xanthylium perchlorate","9-(2-carboxyphenyl)-3,6-bis(methylamino)xanthenium perchlorate",CNc1ccc2c(c3ccccc3C(=O)O)c4ccc(NC)cc4[o+]c2c1.[O-]Cl(=O)(=O)=O,CNc1ccc2c(c3ccccc3C(=O)O)c4ccc(NC)cc4[o+]c2c1.[O-]Cl(=O)(=O)=O,"InChI=1/C22H18N2O3.ClHO4/c1-23-13-7-9-17-19(11-13)27-20-12-14(24-2)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26;2-1(3,4)5/h3-12,23-24H,1-2H3;(H,2,3,4,5)",C22H19N2O3.ClO4,,,,,,HRLLVJAZKUKEBV-UHFFFAOYSA-M,,,,,,,,,,,
100.057.885,263-694-6,62681-98-5,"2,5-bis(2-fluorophenyl)-1,3,4-oxadiazole","2,5-bis(2-fluorophenyl)-1,3,4-oxadiazole",Fc1ccccc1c2oc(nn2)c3ccccc3F,Fc1ccccc1c2oc(nn2)c3ccccc3F,InChI=1/C14H8F2N2O/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H,C14H8F2N2O,,,,,,HOVHSZHGKDKRMF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.893,263-702-8,62698-56-0,"Tetrasodium 2-[2,7-bis[[bis(carboxylatomethyl)amino]methyl]-6-hydroxy-3-oxo-3H-xanthen-9-yl]benzoate",-,[Na+].[Na+].[Na+].[Na+].Oc1cc2OC3=CC(=O)C(=CC3=C(c4ccccc4C(=O)[O-])c2cc1CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[Na+].[Na+].Oc1cc2OC3=CC(=O)C(=CC3=C(c4ccccc4C(=O)[O-])c2cc1CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C30H26N2O13.4Na/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)29(17-3-1-2-4-18(17)30(43)44)20-6-16(22(34)8-24(20)45-23)10-32(13-27(39)40)14-28(41)42;;;;/h1-8,33H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44);;;;/q;4*+1/p-5",C30H26N2O13.4Na,,,,,,WCODCQAZATVMQI-UHFFFAOYSA-I,,,,,,,,,,,
100.059.306,265-257-5,64863-81-6,6-amino-5-[(4-anilinosulfonylphenyl)azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-4-hydroxy-5-{[4-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2-sulfonic acid,O=S(=O)(Nc1ccccc1)c2ccc(cc2)N=Nc3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O,O=S(=O)(Nc1ccccc1)c2ccc(cc2)N=Nc3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O,"InChI=1/C22H18N4O6S2/c23-19-11-6-14-12-18(34(30,31)32)13-20(27)21(14)22(19)25-24-15-7-9-17(10-8-15)33(28,29)26-16-4-2-1-3-5-16/h1-13,26-27H,23H2,(H,30,31,32)",C22H18N4O6S2,,,,,,XPOZNKGQILTOKO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.311,265-262-2,64884-40-8,5(4H)-Thebenidinone,benzo[lmn]phenanthridin-5(4H)-one,O=C1Nc2cccc3ccc4cccc1c4c23,O=C1Nc2cccc3ccc4cccc1c4c23,"InChI=1/C15H9NO/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16-15)14(10)13(9)11/h1-8H,(H,16,17)",C15H9NO,,,,,,DZFROCAXLIJHAR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.313,265-264-3,64893-28-3,"2-[4-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]vinyl]phenyl]benzoxazole","2-(4-{2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]vinyl}phenyl)-1,3-benzoxazole",Cc1noc(n1)c2ccc(\\C=C\\c3ccc(cc3)c4oc5ccccc5n4)cc2,Cc1noc(n1)c2ccc(\C=C\c3ccc(cc3)c4oc5ccccc5n4)cc2,"InChI=1/C24H17N3O2/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23/h2-15H,1H3",C24H17N3O2,,,,,,YDADFDRLKYUBEW-VOTSOKGWSA-N,,,,,,,,,,,
100.059.836,265-838-3,65591-12-0,4-allyl-2-methoxyphenyl butyrate,4-allyl-2-methoxyphenyl butyrate,CCCC(=O)Oc1ccc(CC=C)cc1OC,CCCC(=O)Oc1ccc(CC=C)cc1OC,"InChI=1/C14H18O3/c1-4-6-11-8-9-12(13(10-11)16-3)17-14(15)7-5-2/h4,8-10H,1,5-7H2,2-3H3",C14H18O3,,,,,,DVYYXRMJMMFFJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.837,265-839-9,65591-14-2,Icosanyl propionate,icosyl propionate,CCCCCCCCCCCCCCCCCCCCOC(=O)CC,CCCCCCCCCCCCCCCCCCCCOC(=O)CC,"InChI=1/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2/h3-22H2,1-2H3",C23H46O2,,,,,,OPEHDFRKFVXKNP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.559,262-234-1,60438-73-5,[2-[[hydroxy[4-nitro-2-(palmitoylamino)phenoxy]phosphinyl]oxy]ethyl]trimethylammonium hydroxide,"2-({hydroxy[4-nitro-2-(palmitoylamino)phenoxy]phosphoryl}oxy)-N,N,N-trimethylethanaminium hydroxide",[OH-].CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1OP(=O)(O)OCC[N+](C)(C)C)[N+](=O)[O-],[OH-].CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1OP(=O)(O)OCC[N+](C)(C)C)[N+](=O)[O-],"InChI=1/C27H48N3O7P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)28-25-23-24(29(32)33)19-20-26(25)37-38(34,35)36-22-21-30(2,3)4;/h19-20,23H,5-18,21-22H2,1-4H3,(H-,28,31,34,35);1H2",C27H49N3O7P.HO,,,,,,CDTKXKMMWVIQDN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.564,262-239-9,60451-35-6,Hexahydro-2-oxo-N-vinyl-1H-azepine-1-carboxamide,2-oxo-N-vinylazepane-1-carboxamide,C=CNC(=O)N1CCCCCC1=O,C=CNC(=O)N1CCCCCC1=O,"InChI=1/C9H14N2O2/c1-2-10-9(13)11-7-5-3-4-6-8(11)12/h2H,1,3-7H2,(H,10,13)",C9H14N2O2,,,,,,VGRKPIRDMXWKDE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.568,262-244-6,60459-04-3,Diindium tricarbonate,diindium tricarbonate,[In+3].[In+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],[In+3].[In+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/3CH2O3.2In/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",CH2O3.2/3In,,,,,,AMNSWIGOPDBSIE-UHFFFAOYSA-H,,,,,,,,,,,
100.056.574,262-250-9,60468-98-6,"2-methylcyclohexa-1,4-diene-1-carbaldehyde","2-methylcyclohexa-1,4-diene-1-carbaldehyde",CC1=C(CC=CC1)C=O,CC1=C(CC=CC1)C=O,"InChI=1/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-3,6H,4-5H2,1H3",C8H10O,,,,,,BWDDYPIKNXWPEU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.577,262-254-0,60472-29-9,"5-allyl-octahydro-4,7-methano-1H-inden-5-ol","5-allyloctahydro-1H-4,7-methanoinden-5-ol",OC1(CC=C)CC2CC1C3CCCC23,OC1(CC=C)CC2CC1C3CCCC23,"InChI=1/C13H20O/c1-2-6-13(14)8-9-7-12(13)11-5-3-4-10(9)11/h2,9-12,14H,1,3-8H2",C13H20O,,,,,,RFMGDEQGIOAYPI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.580,262-257-7,60485-76-9,"1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate","1-ethyl-2-[3-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-2-methylprop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]4c5c6ccccc6ccc5sc4C=C(C)C=C3Sc2ccc1ccccc1c2N3CC,[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]4c5c6ccccc6ccc5sc4C=C(C)C=C3Sc2ccc1ccccc1c2N3CC,"InChI=1/C30H27N2S2.C7H8O3S/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;1-6-2-4-7(5-3-6)11(8,9)10/h6-19H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C30H27N2S2.C7H7O3S,,,,,,NAHBMBYWGHBPJC-UHFFFAOYSA-M,,,,,,,,,,,
100.056.589,262-267-1,60501-28-2,"4,4'-bis[[4-[(2-hydroxyethyl)methylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]",COc1nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(OC)nc(n4)N(C)CCO)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O)nc(n1)N(C)CCO,COc1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(OC)nc(n4)N(C)CCO)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O)nc(n1)N(C)CCO,"InChI=1/C28H34N10O10S2/c1-37(11-13-39)25-31-23(33-27(35-25)47-3)29-19-9-7-17(21(15-19)49(41,42)43)5-6-18-8-10-20(16-22(18)50(44,45)46)30-24-32-26(38(2)12-14-40)36-28(34-24)48-4/h5-10,15-16,39-40H,11-14H2,1-4H3,(H,41,42,43)(H,44,45,46)(H,29,31,33,35)(H,30,32,34,36)",C28H34N10O10S2,,,,,,WHWNVTZCOSXTAW-AATRIKPKSA-N,,,,,,,,,,,
100.056.593,262-271-3,60506-83-4,"4,6-dichloro-1-nitroanthraquinone","4,6-dichloro-1-nitro-9,10-anthraquinone",[O-][N+](=O)c1ccc(Cl)c2C(=O)c3cc(Cl)ccc3C(=O)c12,[O-][N+](=O)c1ccc(Cl)c2C(=O)c3cc(Cl)ccc3C(=O)c12,InChI=1/C14H5Cl2NO4/c15-6-1-2-7-8(5-6)14(19)11-9(16)3-4-10(17(20)21)12(11)13(7)18/h1-5H,C14H5Cl2NO4,,,,,,UFYUVEYNCNGOHW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.130,266-164-2,66108-95-0,Iohexol,"5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide",CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,"InChI=1/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)",C19H26I3N3O9,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6709,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.130,NTHXOOBQLCIOLC-UHFFFAOYSA-N,Positive,EA023101|EA023102|EA023103|EA023104|EA023105|EA023106|EA023108|EA023109|EA023110|EA023111|EA023112|EA023114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,803.877:602.9109:652.9724|803.8747:821.8852:602.913|374.9835:449.0202:528.8743|374.9834:301.9306:500.8799|301.9308:273.9354:257.9409|273.9357:257.9413:301.931|803.8778:821.8881:652.9715|374.9833:449.0199:500.8799|374.9832:301.9308:500.8796|273.9355:301.9307:257.9407|273.9357:257.9411:147.0315|803.8765:652.9714:602.9115,Eawag,,,,,
100.060.145,266-181-5,66142-22-1,Ethyl 3-ethyl-2-methylbenzoselenazolium sulphate,"3-ethyl-2-methyl-1,3-benzoselenazol-3-ium ethyl sulfate",CCOS(=O)(=O)[O-].CC[N+]1=C(C)[Se]c2ccccc12,CCOS(=O)(=O)[O-].CC[N+]1=C(C)[Se]c2ccccc12,"InChI=1/C10H12NSe.C2H6O4S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-2-6-7(3,4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C10H12NSe.C2H5O4S,,,,,,NQTXUORNNRFCKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.155,266-192-5,66161-57-7,"Sodium 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracontyl sulphate","sodium 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracont-1-yl sulfate",[Na+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C36H74O16S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-40-13-14-41-15-16-42-17-18-43-19-20-44-21-22-45-23-24-46-25-26-47-27-28-48-29-30-49-31-32-50-33-34-51-35-36-52-53(37,38)39;/h2-36H2,1H3,(H,37,38,39);/q;+1/p-1",C36H74O16S.Na,,,,,,AGMRJQXCAJZJNK-UHFFFAOYSA-M,,,,,,,,,,,
100.060.161,266-198-8,66161-63-5,N-[3-[bis(2-hydroxyethyl)amino]propyl]dodecanamide,N-{3-[bis(2-hydroxyethyl)amino]propyl}dodecanamide,CCCCCCCCCCCC(=O)NCCCN(CCO)CCO,CCCCCCCCCCCC(=O)NCCCN(CCO)CCO,"InChI=1/C19H40N2O3/c1-2-3-4-5-6-7-8-9-10-12-19(24)20-13-11-14-21(15-17-22)16-18-23/h22-23H,2-18H2,1H3,(H,20,24)",C19H40N2O3,,,,,,OQRZKRYPYZNLFV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.778,266-876-3,67674-38-8,"Ethyl 1-acetyl-4,6-dimethylcyclohex-3-ene-1-carboxylate","ethyl 1-acetyl-4,6-dimethylcyclohex-3-ene-1-carboxylate",CCOC(=O)C1(CC=C(C)CC1C)C(=O)C,CCOC(=O)C1(CC=C(C)CC1C)C(=O)C,"InChI=1/C13H20O3/c1-5-16-12(15)13(11(4)14)7-6-9(2)8-10(13)3/h6,10H,5,7-8H2,1-4H3",C13H20O3,,,,,,IBMDADQQJZKLJI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.780,266-878-4,67674-40-2,"(2E,6Z)-nona-2,6-dienyl formate","nona-2,6-dien-1-yl formate",CC\\C=C/CC\\C=C\\COC=O,CC\C=C/CC\C=C\COC=O,"InChI=1/C10H16O2/c1-2-3-4-5-6-7-8-9-12-10-11/h3-4,7-8,10H,2,5-6,9H2,1H3",C10H16O2,,,,,,CUEUXDDPOMHZTF-ODYTWBPASA-N,,,,,,,,,,,
100.060.783,266-882-6,67674-43-5,"3,7-dimethylocta-2,7-dienenitrile","3,7-dimethylocta-2,7-dienenitrile",C=C(C)CCCC(C)=CC#N,C=C(C)CCCC(C)=CC#N,"InChI=1/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h7H,1,4-6H2,2-3H3",C10H15N,,,,,,FDLVUUYKEFYJRU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.788,266-887-3,67674-48-0,"2,2,2-trifluoro-1-(trifluoromethyl)ethyl toluene-p-sulphonate","2,2,2-trifluoro-1-(trifluoromethyl)ethyl 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F,Cc1ccc(cc1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F,"InChI=1/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3",C10H8F6O3S,,,,,,QGSVBFAODCJVIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.792,266-892-0,67674-52-6,2-aminoethyl hydroxyacetate,2-aminoethyl glycolate,NCCOC(=O)CO,NCCOC(=O)CO,"InChI=1/C4H9NO3/c5-1-2-8-4(7)3-6/h6H,1-3,5H2",C4H9NO3,,,,,,FPWNJWWLQAXJAA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.806,266-907-0,67689-50-3,"Tetrahydro-a,a,5-trimethyl-5-vinylfurfuryl acetate",1-methyl-1-(5-methyl-5-vinyltetrahydrofuran-2-yl)ethyl acetate,CC(=O)OC(C)(C)C1CCC(C)(O1)C=C,CC(=O)OC(C)(C)C1CCC(C)(O1)C=C,"InChI=1/C12H20O3/c1-6-12(5)8-7-10(15-12)11(3,4)14-9(2)13/h6,10H,1,7-8H2,2-5H3",C12H20O3,,,,,,PZMSWQCFPOWCEC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.808,266-909-1,67696-82-6,Acrihellin,"5,14-dihydroxy-3-[(3-methylbut-2-enoyl)oxy]-19-oxobufa-20,22-dienolide",CC(=CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=COC(=O)C=C5)C,CC(=CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=COC(=O)C=C5)C,"InChI=1/C29H38O7/c1-18(2)14-25(32)36-20-6-11-27(17-30)22-7-10-26(3)21(19-4-5-24(31)35-16-19)9-13-29(26,34)23(22)8-12-28(27,33)15-20/h4-5,14,16-17,20-23,33-34H,6-13,15H2,1-3H3",C29H38O7,,,,,,RIOSSPWEPWYRLD-SBQWKNPYSA-N,,,,,,,,,,,
100.060.810,266-911-2,67697-32-9,4-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]isophthalic acid,4-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]isophthalic acid,CCn1c(C)c(C(=O)c2ccc(cc2C(=O)O)C(=O)O)c3ccccc13,CCn1c(C)c(C(=O)c2ccc(cc2C(=O)O)C(=O)O)c3ccccc13,"InChI=1/C20H17NO5/c1-3-21-11(2)17(14-6-4-5-7-16(14)21)18(22)13-9-8-12(19(23)24)10-15(13)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)",C20H17NO5,,,,,,RUEPPNNHGBTSCH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.813,266-914-9,67697-75-0,3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]phthalide,3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one,CCCCCCCCc1ccc(cc1)N(c2ccc(CCCCCCCC)cc2)C3(OC(=O)c4ccccc34)c5ccc(cc5)N(C)C,CCCCCCCCc1ccc(cc1)N(c2ccc(CCCCCCCC)cc2)C3(OC(=O)c4ccccc34)c5ccc(cc5)N(C)C,"InChI=1/C44H56N2O2/c1-5-7-9-11-13-15-19-35-23-29-39(30-24-35)46(40-31-25-36(26-32-40)20-16-14-12-10-8-6-2)44(37-27-33-38(34-28-37)45(3)4)42-22-18-17-21-41(42)43(47)48-44/h17-18,21-34H,5-16,19-20H2,1-4H3",C44H56N2O2,,,,,,VHAKYQXQOXNMCV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.816,266-918-0,67700-24-7,4-chlorooctan-1-ol,4-chlorooctan-1-ol,CCCCC(Cl)CCCO,CCCCC(Cl)CCCO,"InChI=1/C8H17ClO/c1-2-3-5-8(9)6-4-7-10/h8,10H,2-7H2,1H3",C8H17ClO,,,,,,MMVJPTKAKBJYGU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.817,266-919-6,67700-30-5,Furaprofen,2-(3-phenyl-1-benzofuran-7-yl)propanoic acid,CC(C(=O)O)c1cccc2c(coc12)c3ccccc3,CC(C(=O)O)c1cccc2c(coc12)c3ccccc3,"InChI=1/C17H14O3/c1-11(17(18)19)13-8-5-9-14-15(10-20-16(13)14)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",C17H14O3,,,,,,ODZUWQAFWMLWCF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.050,261-675-7,59231-37-7,"Isotridecyl 3,5,5-trimethylhexanoate","11-methyldodecyl 3,5,5-trimethylhexanoate",CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C,CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C,"InChI=1/C22H44O2/c1-19(2)15-13-11-9-7-8-10-12-14-16-24-21(23)17-20(3)18-22(4,5)6/h19-20H,7-18H2,1-6H3",C22H44O2,,,,,,WAYINTBTZWQNSN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.053,261-678-3,59259-38-0,"[1R-[1a(R*),2ß,5a]]-5-methyl-2-(1-methylethyl)cyclohexyl lactate",2-isopropyl-5-methylcyclohexyl 2-hydroxypropanoate,CC(C)C1CCC(C)CC1OC(=O)C(C)O,CC(C)C1CCC(C)CC1OC(=O)C(C)O,"InChI=1/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3",C13H24O3,,,,,,UJNOLBSYLSYIBM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.054,261-679-9,59259-90-4,"5-(dimethoxymethyl)benzo-1,3-dioxole","5-(dimethoxymethyl)-1,3-benzodioxole",COC(OC)c1ccc2OCOc2c1,COC(OC)c1ccc2OCOc2c1,"InChI=1/C10H12O4/c1-11-10(12-2)7-3-4-8-9(5-7)14-6-13-8/h3-5,10H,6H2,1-2H3",C10H12O4,,,,,,UNANDJIJRBQOOF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.057,261-683-0,59263-76-2,3-(3-ethylhexahydro-1-methyl-1H-azepin-3-yl)phenol hydrochloride,3-(3-ethyl-1-methylazepan-3-yl)phenol hydrochloride,Cl.CCC1(CCCCN(C)C1)c2cccc(O)c2,Cl.CCC1(CCCCN(C)C1)c2cccc(O)c2,"InChI=1/C15H23NO.ClH/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H",C15H23NO.ClH,,,,,,MPJUSISYVXABBH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.620,265-601-4,65184-58-9,Pinacol monoformate,"2-hydroxy-1,1,2-trimethylpropyl formate",CC(C)(O)C(C)(C)OC=O,CC(C)(O)C(C)(C)OC=O,"InChI=1/C7H14O3/c1-6(2,9)7(3,4)10-5-8/h5,9H,1-4H3",C7H14O3,,,,,,OBODCWUESPNUOV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.621,265-603-5,65185-89-9,Nonyl undecyl phthalate,nonyl undecyl phthalate,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,"InChI=1/C28H46O4/c1-3-5-7-9-11-12-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-13-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3",C28H46O4,,,,,,ACBFJMAXNZVRRX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.127,267-260-7,67828-37-9,"Methyl 2,4-dihydroxyphenylglycolate","methyl (2,4-dihydroxyphenyl)(hydroxy)acetate",COC(=O)C(O)c1ccc(O)cc1O,COC(=O)C(O)c1ccc(O)cc1O,"InChI=1/C9H10O5/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,8,10-12H,1H3",C9H8O5,,,,,,OOJPWYDQMAVSQH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.129,267-262-8,67828-40-4,5-chloro-4-ethoxy-2-nitrotoluene,1-chloro-2-ethoxy-5-methyl-4-nitrobenzene,CCOc1cc(c(C)cc1Cl)[N+](=O)[O-],CCOc1cc(c(C)cc1Cl)[N+](=O)[O-],"InChI=1/C9H10ClNO3/c1-3-14-9-5-8(11(12)13)6(2)4-7(9)10/h4-5H,3H2,1-2H3",C9H10ClNO3,,,,,,ZUWXJEWJAWOZRW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.132,267-265-4,67828-43-7,"Methyl (2,4-dihydroxyphenyl)glycolate","methyl (2,4-dihydroxyphenyl)(hydroxy)acetate",COC(=O)C(O)c1ccc(O)cc1O,COC(=O)C(O)c1ccc(O)cc1O,"InChI=1/C9H10O5/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,8,10-12H,1H3",C9H10O5,,,,,,OOJPWYDQMAVSQH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.135,267-269-6,67828-46-0,"2,5-dibutoxy-4-morpholinoaniline","2,5-dibutoxy-4-morpholin-4-ylaniline",CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1N,CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1N,"InChI=1/C18H30N2O3/c1-3-5-9-22-17-14-16(20-7-11-21-12-8-20)18(13-15(17)19)23-10-6-4-2/h13-14H,3-12,19H2,1-2H3",C18H30N2O3,,,,,,YOVXTCPXRNWWRF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.271,261-918-7,59766-07-3,"Piperazine 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate","1,3,4,5-tetrahydroxycyclohexanecarboxylic acid - piperazine (1:1)",OC1CC(O)(CC(O)C1O)C(=O)O.C2CNCCN2,OC1CC(O)(CC(O)C1O)C(=O)O.C2CNCCN2,"InChI=1/C7H12O6.C4H10N2/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;1-2-6-4-3-5-1/h3-5,8-10,13H,1-2H2,(H,11,12);5-6H,1-4H2",C7H12O6.xC4H10N2,,,,,,ILELYUFCZWQXGV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.274,261-921-3,59766-99-3,N6-(1-oxodecyl)-L-lysine,N~6~-decanoyl-L-lysine,CCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,CCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,"InChI=1/C16H32N2O3/c1-2-3-4-5-6-7-8-12-15(19)18-13-10-9-11-14(17)16(20)21/h14H,2-13,17H2,1H3,(H,18,19)(H,20,21)",C16H32N2O3,,,,,,JVGQYGXDASKPJW-AWEZNQCLSA-N,,,,,,,,,,,
100.056.275,261-922-9,59771-24-3,4'-isobutylpropiophenone,1-(4-isobutylphenyl)propan-1-one,CCC(=O)c1ccc(CC(C)C)cc1,CCC(=O)c1ccc(CC(C)C)cc1,"InChI=1/C13H18O/c1-4-13(14)12-7-5-11(6-8-12)9-10(2)3/h5-8,10H,4,9H2,1-3H3",C13H18O,,,,,,GPZIKPBHFMNTOH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.281,261-929-7,59778-97-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C22H9F33O2/c1-5(2)6(56)57-4-3-7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)15(39,40)16(41,42)17(43,44)18(45,46)19(47,48)20(49,50)21(51,52)22(53,54)55/h1,3-4H2,2H3",C22H9F33O2,,,,,,XLGBPNZHUPJRPB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.282,261-930-2,59785-99-8,Pentadecyl dihydrogen phosphate,pentadecyl dihydrogen phosphate,CCCCCCCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCCCCCCOP(=O)(O)O,"InChI=1/C15H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18/h2-15H2,1H3,(H2,16,17,18)",C15H33O4P,,,,,,HIEAVKFYHNFZNR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.283,261-931-8,59792-81-3,"Tris(5-oxo-L-prolinato-N1,O2)aluminium",aluminum tris(5-oxopyrrolidine-2-carboxylate),O=C(O[Al](OC(=O)C1CCC(=O)N1)OC(=O)C2CCC(=O)N2)C3CCC(=O)N3,O=C(O[Al](OC(=O)C1CCC(=O)N1)OC(=O)C2CCC(=O)N2)C3CCC(=O)N3,"InChI=1/3C5H7NO3.Al/c3*7-4-2-1-3(6-4)5(8)9;/h3*3H,1-2H2,(H,6,7)(H,8,9);/q;;;+3/p-3",C15H18AlN3O9,,,,,,OYGSFRHDRNJHBP-UHFFFAOYSA-K,,,,,,,,,,,
100.056.285,261-933-9,59802-06-1,Tris(isotridecyl) borate,tris(11-methyldodecyl) borate,CC(C)CCCCCCCCCCOB(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCOB(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C,"InChI=1/C39H81BO3/c1-37(2)31-25-19-13-7-10-16-22-28-34-41-40(42-35-29-23-17-11-8-14-20-26-32-38(3)4)43-36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3",C39H81BO3,,,,,,BAKYBFYKXATTQM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.288,261-937-0,59813-05-7,Piperazine dihydrobromide,piperazine dihydrobromide,Br.Br.C1CNCCN1,Br.Br.C1CNCCN1,"InChI=1/C4H10N2.2BrH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H",C4H10N2.2BrH,,,,,,UXWKNNJFYZFNDI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.290,261-939-1,59819-52-2,"2-chlorophenyl 2,2,2-trichloroethyl chlorophosphate","2-chlorophenyl 2,2,2-trichloroethyl chlorophosphate",Clc1ccccc1OP(=O)(Cl)OCC(Cl)(Cl)Cl,Clc1ccccc1OP(=O)(Cl)OCC(Cl)(Cl)Cl,"InChI=1/C8H6Cl5O3P/c9-6-3-1-2-4-7(6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2",C8H6Cl5O3P,,,,,,ORLCYMQZIPSODD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.840,265-843-0,65605-48-3,"Benzothiazole-2(3H)-thione, compound with triethylamine (1:1)","1,3-benzothiazole-2(3H)-thione - N,N-diethylethanamine (1:1)",CCN(CC)CC.S=C1Nc2ccccc2S1,CCN(CC)CC.S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.C6H15N/c9-7-8-5-3-1-2-4-6(5)10-7;1-4-7(5-2)6-3/h1-4H,(H,8,9);4-6H2,1-3H3",C7H5NS2.C6H15N,,,,,,DVUKIEBZAXCCAA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.851,265-855-6,65652-29-1,"Octahydro-3,6,6-trimethyl-2H-3,9a-methano-1-benzoxepin-2-one","3,6,6-trimethyloctahydro-2H-3,9a-methano-1-benzoxepin-2-one",CC1(C)CCCC23CC(C)(CCC12)C(=O)O3,CC1(C)CCCC23CC(C)(CCC12)C(=O)O3,"InChI=1/C14H22O2/c1-12(2)6-4-7-14-9-13(3,11(15)16-14)8-5-10(12)14/h10H,4-9H2,1-3H3",C14H22O2,,,,,,VRQWRNHXOFFNPC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.855,265-859-8,65652-41-7,Di-tert-butylphenyl phenyl phosphate,"2,3-di-tert-butylphenyl phenyl phosphate",CC(C)(C)c1cccc(OP(=O)([O-])Oc2ccccc2)c1C(C)(C)C,CC(C)(C)c1cccc(OP(=O)([O-])Oc2ccccc2)c1C(C)(C)C,"InChI=1/C20H27O4P/c1-19(2,3)16-13-10-14-17(18(16)20(4,5)6)24-25(21,22)23-15-11-8-7-9-12-15/h7-14H,1-6H3,(H,21,22)/p-1",C26H31O4P,,,,,,KSOQTPCEUYPPFR-UHFFFAOYSA-M,,,,,,,,,,,
100.059.857,265-861-9,65652-43-9,Benzyltrichlorobenzene,"1-benzyl-2,3,4-trichlorobenzene",Clc1ccc(Cc2ccccc2)c(Cl)c1Cl,Clc1ccc(Cc2ccccc2)c(Cl)c1Cl,"InChI=1/C13H9Cl3/c14-11-7-6-10(12(15)13(11)16)8-9-4-2-1-3-5-9/h1-7H,8H2",C13H9Cl3,,,,,,KQBYLYYPEWNVQB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.859,265-864-5,65652-67-7,"4,5-bis[(2-cyanoethoxy)methyl]-2-phenyl-1H-imidazole-1-propiononitrile","3,3'-{[1-(2-cyanoethyl)-2-phenyl-1H-imidazole-4,5-diyl]bis(methyleneoxy)}dipropanenitrile",N#CCCOCc1nc(c2ccccc2)n(CCC#N)c1COCCC#N,N#CCCOCc1nc(c2ccccc2)n(CCC#N)c1COCCC#N,"InChI=1/C20H21N5O2/c21-9-4-12-25-19(16-27-14-6-11-23)18(15-26-13-5-10-22)24-20(25)17-7-2-1-3-8-17/h1-3,7-8H,4-6,12-16H2",C20H21N5O2,,,,,,XGQUSGCBVBFRGX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.717,266-809-8,67634-06-4,8-(sec-butyl)quinoline,8-sec-butylquinoline,CCC(C)c1cccc2cccnc12,CCC(C)c1cccc2cccnc12,"InChI=1/C13H15N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h4-10H,3H2,1-2H3",C13H15N,,,,,,UNHPNXMTAQYTRG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.718,266-810-3,67634-07-5,"3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde","3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde",CC1C=C(C)CC(C=O)C1C,CC1C=C(C)CC(C=O)C1C,"InChI=1/C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11/h4,6,8-10H,5H2,1-3H3",C10H16O,,,,,,DEMWVPUIZCCHPT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.724,266-817-1,67634-13-3,"2,3,4,4-tetramethylhex-2-ene","2,3,4,4-tetramethylhex-2-ene",CCC(C)(C)C(=C(C)C)C,CCC(C)(C)C(=C(C)C)C,"InChI=1/C10H20/c1-7-10(5,6)9(4)8(2)3/h7H2,1-6H3",C10H20,,,,,,DZDNSWFWQXTWAM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.729,266-822-9,67634-18-8,Isopentyl 2-ethylacrylate,3-methylbutyl 2-methylenebutanoate,CCC(=C)C(=O)OCCC(C)C,CCC(=C)C(=O)OCCC(C)C,"InChI=1/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8H,4-7H2,1-3H3",C10H18O2,,,,,,GEXMFPBAIYGVEL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.730,266-823-4,67634-19-9,Isobutyl 2-ethylacrylate,isobutyl 2-methylenebutanoate,CCC(=C)C(=O)OCC(C)C,CCC(=C)C(=O)OCC(C)C,"InChI=1/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h7H,4-6H2,1-3H3",C9H16O2,,,,,,XIADDNKBYXBWMA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.739,266-833-9,67640-14-6,"2,3,4,5,6-pentafluorobenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","pentafluorobenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2c(F)c(F)c(F)c(F)c2F,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2c(F)c(F)c(F)c(F)c2F,"InChI=1/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3",C15H11Cl2F5O2,,,,,,YATDSXRLIUJOQN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.746,266-841-2,67662-96-8,Phenethyl pivalate,2-phenylethyl pivalate,CC(C)(C)C(=O)OCCc1ccccc1,CC(C)(C)C(=O)OCCc1ccccc1,"InChI=1/C13H18O2/c1-13(2,3)12(14)15-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3",C13H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17673,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.746,DPVYDTACPLLHCF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.747,266-842-8,67662-97-9,6-isopropylbicyclo[2.2.2]octane-2-carbaldehyde,6-isopropylbicyclo[2.2.2]octane-2-carbaldehyde,CC(C)C1CC2CCC1C(C2)C=O,CC(C)C1CC2CCC1C(C2)C=O,"InChI=1/C12H20O/c1-8(2)12-6-9-3-4-11(12)10(5-9)7-13/h7-12H,3-6H2,1-2H3",C12H20O,,,,,,HKKOMSBKTRIPJO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.898,263-708-0,62708-53-6,"3,8-diimino-2,4,7,9-tetraazadecanediamidine disulphate","N,N''''-ethane-1,2-diylbis(imidodicarbonimidic diamide) disulfate",NC(=N)NC(=N)NCCNC(=N)NC(=N)N.OS(=O)(=O)O.OS(=O)(=O)O,NC(=N)NC(=N)NCCNC(=N)NC(=N)N.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1/C6H16N10.2H2O4S/c7-3(8)15-5(11)13-1-2-14-6(12)16-4(9)10;2*1-5(2,3)4/h1-2H2,(H6,7,8,11,13,15)(H6,9,10,12,14,16);2*(H2,1,2,3,4)",C6H16N10.2H2O4S,,,,,,ITDIOCKDLUQLRN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.910,263-721-1,62763-71-7,Bis[tris(2-hydroxyethyl)ammonium] hexadecyl phosphate,"bis[2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium] hexadecyl phosphate",CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO,"InChI=1/C16H35O4P.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;2*8-4-1-7(2-5-9)3-6-10/h2-16H2,1H3,(H2,17,18,19);2*8-10H,1-6H2",C16H35O4P.2C6H15NO3,,,,,,HHKXNZMUFVCLJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.162,266-199-3,66161-64-6,N-[3-[bis(2-hydroxyethyl)amino]propyl]myristamide,N-{3-[bis(2-hydroxyethyl)amino]propyl}tetradecanamide,CCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO,CCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO,"InChI=1/C21H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(26)22-15-13-16-23(17-19-24)18-20-25/h24-25H,2-20H2,1H3,(H,22,26)",C21H44N2O3,,,,,,VNRVRVIRWRSXJY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.163,266-200-7,66161-65-7,N-[3-[bis(2-hydroxyethyl)amino]propyl]hexadecan-1-amide,N-{3-[bis(2-hydroxyethyl)amino]propyl}hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO,CCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO,"InChI=1/C23H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23(28)24-17-15-18-25(19-21-26)20-22-27/h26-27H,2-22H2,1H3,(H,24,28)",C23H48N2O3,,,,,,ODOPLSJHUSYCFN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.165,266-202-8,66161-67-9,N-[3-[bis(2-hydroxyethyl)amino]propyl]myristamide N-oxide,"2,2'-({3-[oxido(tetradecanoyl)amino]propyl}imino)diethanol",CCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(CCO)CCO,CCCCCCCCCCCCCC(=O)[NH+]([O-])CCCN(CCO)CCO,"InChI=1/C21H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(26)23(27)16-13-15-22(17-19-24)18-20-25/h23-25H,2-20H2,1H3",C21H44N2O4,,,,,,ZHHNEZRUILOOFE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.504,259-974-2,56058-69-6,"(E)-tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan","2,2-dimethyl-5-(1-methylprop-1-en-1-yl)tetrahydrofuran",C\\C=C(/C)\\C1CCC(C)(C)O1,C\C=C(/C)\C1CCC(C)(C)O1,"InChI=1/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3",C10H18O,,,,,,LPEYLSKLVYWOEQ-VMPITWQZSA-N,,,,,,,,,,,
100.054.509,259-980-5,56073-10-0,"4-hydroxy-3-(3-(4'-bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl)coumarin","3-[3-(4'-bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-chromen-2-one",OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C(=O)Oc6ccccc16,OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C(=O)Oc6ccccc16,"InChI=1/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2",C31H23BrO3,,,,,,VEUZZDOCACZPRY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.511,259-982-6,56078-38-7,Lauryl 2-ethylhexanoate,dodecyl 2-ethylhexanoate,CCCCCCCCCCCCOC(=O)C(CC)CCCC,CCCCCCCCCCCCOC(=O)C(CC)CCCC,"InChI=1/C20H40O2/c1-4-7-9-10-11-12-13-14-15-16-18-22-20(21)19(6-3)17-8-5-2/h19H,4-18H2,1-3H3",C20H40O2,,,,,,YLKDIPABJFXZRY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.520,259-992-0,56095-73-9,(Z)-diisobutyl(4-methylpent-1-enyl)aluminium,diisobutyl(4-methylpent-1-en-1-yl)aluminum,CC(C)C\\C=C/[Al](CC(C)C)CC(C)C,CC(C)C\C=C/[Al](CC(C)C)CC(C)C,"InChI=1/C6H11.2C4H9.Al/c1-4-5-6(2)3;2*1-4(2)3;/h1,4,6H,5H2,2-3H3;2*4H,1H2,2-3H3;/rC14H29Al/c1-12(2)8-7-9-15(10-13(3)4)11-14(5)6/h7,9,12-14H,8,10-11H2,1-6H3",C14H29Al,,,,,,WPIPUXPRJZVKFN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.524,259-996-2,56107-04-1,3-(p-tert-butylphenyl)-2-methylpropanol,3-(4-tert-butylphenyl)-2-methylpropan-1-ol,CC(CO)Cc1ccc(cc1)C(C)(C)C,CC(CO)Cc1ccc(cc1)C(C)(C)C,"InChI=1/C14H22O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,11,15H,9-10H2,1-4H3",C14H22O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1600,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.524,SJMDLCVBSNYMMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.526,259-998-3,56113-23-6,"Dipotassium 1,5-dihydroxy-9,10-dihydro-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonate","dipotassium 1,5-dihydroxy-4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate",[K+].[K+].Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)[O-],[K+].[K+].Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H6N2O14S2.2K/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)8-4(16(23)24)2-6(32(28,29)30)12(18)10(8)13(7)19;;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C14H6N2O14S2.2K,,,,,,VNOPUEBGKMTYRS-UHFFFAOYSA-L,,,,,,,,,,,
100.054.530,260-002-4,56116-64-4,Sodium N-(4-chlorobenzoyl)-L-tryptophanate,sodium 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate,[Na+].[O-]C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3,[Na+].[O-]C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3,"InChI=1/C18H15ClN2O3.Na/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;+1/p-1",C18H15ClN2O3.Na,,,,,,OFGMOCGAPXFVHA-NTISSMGPSA-M,,,,,,,,,,,
100.054.540,260-013-4,56144-54-8,"Ammonium (1S-endo)-[3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonate","ammonium (3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",[NH4+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2Br,[NH4+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2Br,"InChI=1/C10H15BrO4S.H3N/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3",C10H15BrO4S.H3N,,,,,,ARLPLMVJWOUPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.541,260-015-5,56148-88-0,"2-(2-ethylhexyl)-6,7-dimethoxy-1H-benz[de]isoquinoline-1,3(2H)-dione","2-(2-ethylhexyl)-6,7-dimethoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",CCCCC(CC)CN1C(=O)c2ccc(OC)c3c(OC)ccc(C1=O)c23,CCCCC(CC)CN1C(=O)c2ccc(OC)c3c(OC)ccc(C1=O)c23,"InChI=1/C22H27NO4/c1-5-7-8-14(6-2)13-23-21(24)15-9-11-17(26-3)20-18(27-4)12-10-16(19(15)20)22(23)25/h9-12,14H,5-8,13H2,1-4H3",C22H27NO4,,,,,,ZKUVWSNPGLZZDC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.543,260-017-6,56149-03-2,"2,3-bis(1-oxobutoxy)propyl stearate","2,3-bis(butyryloxy)propyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,"InChI=1/C29H54O6/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(31)34-25-26(35-29(32)22-6-3)24-33-27(30)21-5-2/h26H,4-25H2,1-3H3",C29H54O6,,,,,,JPJFJSLWXDLTLN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.059,261-685-1,59277-89-3,Aciclovir,"2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one",NC1=Nc2c(ncn2COCCO)C(=O)N1,NC1=Nc2c(ncn2COCCO)C(=O)N1,"InChI=1/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)",C8H11N5O3,,,,,,MKUXAQIIEYXACX-UHFFFAOYSA-N,Positive/Negative,mzcloud:1756,[M+H]+,HCD_Averaged,152.05667:153.04070:135.03014:128.04546:110.0349:75.04406,HighChem,mzcloud:1756,[M-H]-,HCD_Averaged,92.02542:150.04215:119.0363:65.01452:162.04214:133.01559:106.0285,HighChem
100.056.067,261-694-0,59312-69-5,Sodium 3-amino-4-chlorobenzenesulphonate,sodium 3-amino-4-chlorobenzenesulfonate,[Na+].Nc1cc(ccc1Cl)S(=O)(=O)[O-],[Na+].Nc1cc(ccc1Cl)S(=O)(=O)[O-],"InChI=1/C6H6ClNO3S.Na/c7-5-2-1-4(3-6(5)8)12(9,10)11;/h1-3H,8H2,(H,9,10,11);/q;+1/p-1",C6H6ClNO3S.Na,,,,,,FIOKHZOTSMOMDV-UHFFFAOYSA-M,,,,,,,,,,,
100.056.071,261-698-2,59323-54-5,Sodium pyrene-1-sulphonate,sodium pyrene-1-sulfonate,[Na+].[O-]S(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34,[Na+].[O-]S(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34,"InChI=1/C16H10O3S.Na/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;/h1-9H,(H,17,18,19);/q;+1/p-1",C16H10O3S.Na,,,,,,HCOPYCNNZOWMTD-UHFFFAOYSA-M,,,,,,,,,,,
100.056.076,261-703-8,59338-84-0,Methyl 4-amino-5-nitro-o-anisate,methyl 4-amino-2-methoxy-5-nitrobenzoate,COC(=O)c1cc(c(N)cc1OC)[N+](=O)[O-],COC(=O)c1cc(c(N)cc1OC)[N+](=O)[O-],"InChI=1/C9H10N2O5/c1-15-8-4-6(10)7(11(13)14)3-5(8)9(12)16-2/h3-4H,10H2,1-2H3",C9H10N2O5,,,,,,CUJURECWKNETII-UHFFFAOYSA-N,,,,,,,,,,,
100.056.078,261-705-9,59338-86-2,Methyl 6-methoxy-1H-benzotriazole-5-carboxylate,methyl 5-methoxy-1H-benzotriazole-6-carboxylate,COC(=O)c1cc2[nH]nnc2cc1OC,COC(=O)c1cc2[nH]nnc2cc1OC,"InChI=1/C9H9N3O3/c1-14-8-4-7-6(10-12-11-7)3-5(8)9(13)15-2/h3-4H,1-2H3,(H,10,11,12)",C9H9N3O3,,,,,,ZNWDIENXWNBKIM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.081,261-709-0,59338-92-0,6-methoxy-1H-benzotriazole-5-carboxylic acid,5-methoxy-1H-benzotriazole-6-carboxylic acid,COc1cc2nn[nH]c2cc1C(=O)O,COc1cc2nn[nH]c2cc1C(=O)O,"InChI=1/C8H7N3O3/c1-14-7-3-6-5(9-11-10-6)2-4(7)8(12)13/h2-3H,1H3,(H,12,13)(H,9,10,11)",C8H7N3O3,,,,,,GILWQWDMFSVMCL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.084,261-712-7,59346-54-2,"2,2-diethylpent-4-enenitrile","2,2-diethylpent-4-enenitrile",CCC(CC)(CC=C)C#N,CCC(CC)(CC=C)C#N,"InChI=1/C9H15N/c1-4-7-9(5-2,6-3)8-10/h4H,1,5-7H2,2-3H3",C9H15N,,,,,,GBWKBEIKORAGLS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.087,261-715-3,59354-71-1,"1,1-dimethyl-2-phenylethyl isobutyrate","1,1-dimethyl-2-phenylethyl 2-methylpropanoate",CC(C)C(=O)OC(C)(C)Cc1ccccc1,CC(C)C(=O)OC(C)(C)Cc1ccccc1,"InChI=1/C14H20O2/c1-11(2)13(15)16-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3",C14H20O2,,,,,,KOEHGIXXSWVEPT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.089,261-717-4,59363-05-2,"(Z)-2-(bromomethyl)-4-(4-bromophenoxymethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane","2-(bromomethyl)-4-[(4-bromophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolane",Clc1ccc(c(Cl)c1)C2(CBr)OCC(COc3ccc(Br)cc3)O2,Clc1ccc(c(Cl)c1)C2(CBr)OCC(COc3ccc(Br)cc3)O2,"InChI=1/C17H14Br2Cl2O3/c18-10-17(15-6-3-12(20)7-16(15)21)23-9-14(24-17)8-22-13-4-1-11(19)2-5-13/h1-7,14H,8-10H2",C17H14Br2Cl2O3,,,,,,IRAFXGAHTMFJLR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.091,261-720-0,59373-32-9,"Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate","methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate",COC(=O)C1C(=O)CC(=O)CC1(C)C,COC(=O)C1C(=O)CC(=O)CC1(C)C,"InChI=1/C10H14O4/c1-10(2)5-6(11)4-7(12)8(10)9(13)14-3/h8H,4-5H2,1-3H3",C10H14O4,,,,,,SVEBLMFGANLNNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.092,261-721-6,59373-54-5,"9-methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulphonate acid","2-(9-methoxy-1,3-dioxo-1H-benzo[3,4]isochromeno[7,8,1-def]isoquinolin-2(3H)-yl)ethanesulfonic acid",COc1ccc2Oc3ccc4C(=O)N(CCS(=O)(=O)O)C(=O)c5ccc(c2c1)c3c45,COc1ccc2Oc3ccc4C(=O)N(CCS(=O)(=O)O)C(=O)c5ccc(c2c1)c3c45,"InChI=1/C21H15NO7S/c1-28-11-2-6-16-15(10-11)12-3-4-13-18-14(5-7-17(29-16)19(12)18)21(24)22(20(13)23)8-9-30(25,26)27/h2-7,10H,8-9H2,1H3,(H,25,26,27)",C21H15NO7S,,,,,,OLYCZVDYVLJVAE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.989,263-807-9,63042-18-2,"Estra-1,3,5(10)-triene-3,17ß-diol 3-benzoate 17-butyrate","17-(butyryloxy)estra-1,3,5(10)-trien-3-yl benzoate",CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)c5ccccc5)ccc4[C@H]3CC[C@]12C,CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)c5ccccc5)ccc4[C@H]3CC[C@]12C,"InChI=1/C29H34O4/c1-3-7-27(30)33-26-15-14-25-24-12-10-20-18-21(32-28(31)19-8-5-4-6-9-19)11-13-22(20)23(24)16-17-29(25,26)2/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3",C29H34O4,,,,,,MKYFGNOOEKZNPW-ZRJUGLEFSA-N,,,,,,,,,,,
100.057.996,263-815-2,63059-37-0,"3-butyltetrahydro-2,4,6-trioxo-2H-pyrimidine-1-acetic acid","(3-butyl-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetic acid",CCCCN1C(=O)CC(=O)N(CC(=O)O)C1=O,CCCCN1C(=O)CC(=O)N(CC(=O)O)C1=O,"InChI=1/C10H14N2O5/c1-2-3-4-11-7(13)5-8(14)12(10(11)17)6-9(15)16/h2-6H2,1H3,(H,15,16)",C10H14N2O5,,,,,,QRISBXMPYXNSJX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.998,263-817-3,63059-40-5,"7-hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid","7-hydroxy-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid",CSc1nc2nc(C)c(C(=O)O)c(O)n2n1,CSc1nc2nc(C)c(C(=O)O)c(O)n2n1,"InChI=1/C8H8N4O3S/c1-3-4(6(14)15)5(13)12-7(9-3)10-8(11-12)16-2/h13H,1-2H3,(H,14,15)",C8H8N4O3S,,,,,,NVMOOSHNKGHQEA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.293,261-942-8,59827-64-4,1-[2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]pyridinium chloride,1-[2-({2-chloro-4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethyl]pyridinium chloride,[Cl-].[O-][N+](=O)c1ccc(cc1)N=Nc3ccc(NCC[n+]2ccccc2)c(Cl)c3,[Cl-].[O-][N+](=O)c1ccc(cc1)N=Nc3ccc(NCC[n+]2ccccc2)c(Cl)c3,"InChI=1/C19H17ClN5O2.ClH/c20-18-14-16(23-22-15-4-7-17(8-5-15)25(26)27)6-9-19(18)21-10-13-24-11-2-1-3-12-24;/h1-9,11-12,14,21H,10,13H2;1H/q+1;/p-1",C19H17ClN5O2.Cl,,,,,,PRKUAXNXQUIEJB-UHFFFAOYSA-M,,,,,,,,,,,
100.056.301,261-951-7,59846-11-6,"(9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)-9,12,15-octadecatrienamide","N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)N(CCO)CCO,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)N(CCO)CCO,"InChI=1/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h3-4,6-7,9-10,24-25H,2,5,8,11-21H2,1H3",C22H39NO3,,,,,,VHFVFDNVBQGNQX-PDBXOOCHSA-N,,,,,,,,,,,
100.056.307,261-958-5,59854-97-6,4-(5-heptylpyrimidin-2-yl)benzonitrile,4-(5-heptylpyrimidin-2-yl)benzonitrile,CCCCCCCc1cnc(nc1)c2ccc(cc2)C#N,CCCCCCCc1cnc(nc1)c2ccc(cc2)C#N,"InChI=1/C18H21N3/c1-2-3-4-5-6-7-16-13-20-18(21-14-16)17-10-8-15(12-19)9-11-17/h8-11,13-14H,2-7H2,1H3",C18H21N3,,,,,,VSNGFYYRBATOTN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.312,261-963-2,59866-70-5,"Salicylic acid, compound with 2-aminoethanol (1:1)",2-hydroxybenzoic acid - 2-aminoethanol (1:1),NCCO.OC(=O)c1ccccc1O,NCCO.OC(=O)c1ccccc1O,"InChI=1/C7H6O3.C2H7NO/c8-6-4-2-1-3-5(6)7(9)10;3-1-2-4/h1-4,8H,(H,9,10);4H,1-3H2",C7H6O3.C2H7NO,,,,,,WGPVWXXJNUNBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.707,263-497-5,62307-74-8,Sodium N-acetyl-DL-tryptophanate,sodium 2-acetamido-3-(1H-indol-3-yl)propanoate,[Na+].CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],[Na+].CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],"InChI=1/C13H14N2O3.Na/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1",C13H14N2O3.Na,,,,,,UQSHZBSQKMVQBS-YDALLXLXSA-M,,,,,,,,,,,
100.057.708,263-498-0,62308-13-8,"4-[[2,5-dimethyl-4-[(4-nitrophenyl)azo]phenyl]azo]-o-cresol","4-({2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-2-methylphenol",Cc3cc(N=Nc2cc(C)c(N=Nc1ccc(cc1)[N+]([O-])=O)cc2C)ccc3O,Cc3cc(N=Nc2cc(C)c(N=Nc1ccc(cc1)[N+]([O-])=O)cc2C)ccc3O,"InChI=1/C21H19N5O3/c1-13-12-20(25-23-17-6-9-21(27)15(3)10-17)14(2)11-19(13)24-22-16-4-7-18(8-5-16)26(28)29/h4-12,27H,1-3H3",C21H19N5O3,,,,,,KTTUCENEGBNGPD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.718,263-509-9,62331-46-8,"3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]propiononitrile","3-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(2-hydroxyethyl)amino]propanenitrile",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC#N)CCO)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC#N)CCO)[N+]([O-])=O,"InChI=1/C17H15Cl2N5O3/c18-15-10-14(24(26)27)11-16(19)17(15)22-21-12-2-4-13(5-3-12)23(8-9-25)7-1-6-20/h2-5,10-11,25H,1,7-9H2",C17H15Cl2N5O3,,,,,,PAEXBWVMHCSRCV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.728,263-520-9,62356-27-8,2-bromo-6-chlorotoluene,1-bromo-3-chloro-2-methylbenzene,Cc1c(Cl)cccc1Br,Cc1c(Cl)cccc1Br,"InChI=1/C7H6BrCl/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3",C7H6BrCl,,,,,,DMARBQGIQKLIPM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.735,263-528-2,62386-37-2,"4,4'-methylenebis[2-allylphenol]","4,4'-methylenebis(2-allylphenol)",Oc1ccc(Cc2ccc(O)c(CC=C)c2)cc1CC=C,Oc1ccc(Cc2ccc(O)c(CC=C)c2)cc1CC=C,"InChI=1/C19H20O2/c1-3-5-16-12-14(7-9-18(16)20)11-15-8-10-19(21)17(13-15)6-4-2/h3-4,7-10,12-13,20-21H,1-2,5-6,11H2",C19H20O2,,,,,,USBRHIZNALIOEI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.740,263-534-5,62406-83-1,"8-(1,1-dimethylethyl)-2-methyl-1,4-dioxaspiro[4.5]decane","8-tert-butyl-2-methyl-1,4-dioxaspiro[4.5]decane",CC1COC2(CCC(CC2)C(C)(C)C)O1,CC1COC2(CCC(CC2)C(C)(C)C)O1,"InChI=1/C13H24O2/c1-10-9-14-13(15-10)7-5-11(6-8-13)12(2,3)4/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,HFFWINBWALELJR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.107,258-436-4,53220-22-7,Ditetradecyl peroxydicarbonate,"1,1'-[dioxybis(carbonyloxy)]ditetradecane",CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC,"InChI=1/C30H58O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-29(31)35-36-30(32)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C30H58O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5940,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.107,CSKKAINPUYTTRW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.121,258-452-1,53266-94-7,Ethyl 2-aminothiazol-4-acetate,"ethyl (2-amino-1,3-thiazol-4-yl)acetate",CCOC(=O)Cc1csc(N)n1,CCOC(=O)Cc1csc(N)n1,"InChI=1/C7H10N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)",C7H10N2O2S,,,,,,SHQNGLYXRFCPGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.122,258-453-7,53267-01-9,Cibenzoline,"2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole",C1CN=C(N1)C2CC2(c3ccccc3)c4ccccc4,C1CN=C(N1)C2CC2(c3ccccc3)c4ccccc4,"InChI=1/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)",C18H18N2,,,,,,IPOBOOXFSRWSHL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.877,253-783-8,38103-61-6,Tolamolol,4-(2-{[2-hydroxy-3-(2-methylphenoxy)propyl]amino}ethoxy)benzamide,Cc1ccccc1OCC(O)CNCCOc2ccc(cc2)C(=O)N,Cc1ccccc1OCC(O)CNCCOc2ccc(cc2)C(=O)N,"InChI=1/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)",C19H24N2O4,,,,,,SKQDKFOTIPJUSV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.914,263-725-3,62778-15-8,5-[(butylamino)sulphonyl]-2-methoxybenzenediazonium tetrachlorozincate (2:1),bis[5-(butylsulfamoyl)-2-methoxybenzenediazonium] tetrachlorozincate(2-),CCCCNS(=O)(=O)c1ccc(OC)c(c1)[N+]#N.CCCCNS(=O)(=O)c2ccc(OC)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCCCNS(=O)(=O)c1ccc(OC)c(c1)[N+]#N.CCCCNS(=O)(=O)c2ccc(OC)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C11H16N3O3S.4ClH.Zn/c2*1-3-4-7-13-18(15,16)9-5-6-11(17-2)10(8-9)14-12;;;;;/h2*5-6,8,13H,3-4,7H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H16N3O3S.Cl4Zn/c2*1-3-4-7-13-18(15,16)9-5-6-11(17-2)10(8-9)14-12;1-5(2,3)4/h2*5-6,8,13H,3-4,7H2,1-2H3;/q2*+1;-2",C11H16N3O3S.1/2Cl4Zn,,,,,,FTXDCIPDQPYBQG-UHFFFAOYSA-J,,,,,,,,,,,
100.057.915,263-726-9,62780-67-0,"3-[(4,5-dichloro-2-nitrophenyl)amino]propan-1-ol","3-[(4,5-dichloro-2-nitrophenyl)amino]propan-1-ol",OCCCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-],OCCCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-],"InChI=1/C9H10Cl2N2O3/c10-6-4-8(12-2-1-3-14)9(13(15)16)5-7(6)11/h4-5,12,14H,1-3H2",C9H10Cl2N2O3,,,,,,UDXBXNMUCAZWPI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.917,263-729-5,62780-76-1,"5-chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one","5-chloro-1-(3-hydroxypropyl)-1,3-dihydro-2H-benzimidazol-2-one",OCCCN1C(=O)Nc2cc(Cl)ccc12,OCCCN1C(=O)Nc2cc(Cl)ccc12,"InChI=1/C10H11ClN2O2/c11-7-2-3-9-8(6-7)12-10(15)13(9)4-1-5-14/h2-3,6,14H,1,4-5H2,(H,12,15)",C10H11ClN2O2,,,,,,KWZXVSVGUXKSJY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.929,263-742-6,62851-71-2,"3,6-dimethyloct-4-en-3-ol","3,6-dimethyloct-4-en-3-ol",CCC(C)(O)C=CC(C)CC,CCC(C)(O)C=CC(C)CC,"InChI=1/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h7-9,11H,5-6H2,1-4H3",C10H20O,,,,,,PVIZQRDNHUDUSA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.936,263-749-4,62893-19-0,Cefoperazone,"7-{[{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O,"InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)",C25H27N9O8S2,,,,,,GCFBRXLSHGKWDP-XCGNWRKASA-N,,,,,,,,,,,
100.059.354,265-309-7,65016-40-2,4-amino-5-(aminosulphonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide monohydrochloride,4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide hydrochloride,Cl.CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)N,Cl.CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)N,"InChI=1/C15H24N4O4S.ClH/c1-3-19-6-4-5-10(19)9-18-15(20)11-7-14(24(17,21)22)12(16)8-13(11)23-2;/h7-8,10H,3-6,9,16H2,1-2H3,(H,18,20)(H2,17,21,22);1H",C15H24N4O4S.ClH,,,,,,LEKRQEMMNBTHIL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.360,265-316-5,65036-53-5,2-methoxy-4-[(3-sulphophenyl)azo]benzenediazonium chloride,2-methoxy-4-[(3-sulfophenyl)diazenyl]benzenediazonium chloride,[Cl-].COc1cc(ccc1[N+]#N)N=Nc2cccc(c2)S(O)(=O)=O,[Cl-].COc1cc(ccc1[N+]#N)N=Nc2cccc(c2)S(O)(=O)=O,"InChI=1/C13H10N4O4S.ClH/c1-21-13-8-10(5-6-12(13)15-14)17-16-9-3-2-4-11(7-9)22(18,19)20;/h2-8H,1H3;1H",C13H11N4O4S.Cl,,,,,,FRRQBDLPAXENAY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.362,265-318-6,65036-65-9,Sodium p-(2-bromoethyl)benzenesulphonate,sodium 4-(2-bromoethyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(CCBr)cc1,[Na+].[O-]S(=O)(=O)c1ccc(CCBr)cc1,"InChI=1/C8H9BrO3S.Na/c9-6-5-7-1-3-8(4-2-7)13(10,11)12;/h1-4H,5-6H2,(H,10,11,12);/q;+1/p-1",C8H9BrO3S.Na,,,,,,ZFGDZMNLHTUEAV-UHFFFAOYSA-M,,,,,,,,,,,
100.059.861,265-866-6,65665-50-1,"N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]acetamide, compound with 2,2',2''-nitrilotris[ethanol] (1:1)","N-[3-(5-thioxo-2,5-dihydro-1H-tetrazol-1-yl)phenyl]acetamide - 2,2',2''-nitrilotriethanol (1:1)",CC(=O)Nc1cccc(c1)N2NN=NC2=S.OCCN(CCO)CCO,CC(=O)Nc1cccc(c1)N2NN=NC2=S.OCCN(CCO)CCO,"InChI=1/C9H9N5OS.C6H15NO3/c1-6(15)10-7-3-2-4-8(5-7)14-9(16)11-12-13-14;8-4-1-7(2-5-9)3-6-10/h2-5H,1H3,(H,10,15)(H,11,13,16);8-10H,1-6H2",C9H9N5OS.C6H15NO3,,,,,,LKTQXFQOQBQWKX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.865,265-870-8,65676-22-4,a-(4-bromophenyl)-a-[2-(dimethylamino)ethyl]pyridine-2-acetonitrile,2-(4-bromophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile,CN(C)CCC(C#N)(c1ccc(Br)cc1)c2ccccn2,CN(C)CCC(C#N)(c1ccc(Br)cc1)c2ccccn2,"InChI=1/C17H18BrN3/c1-21(2)12-10-17(13-19,16-5-3-4-11-20-16)14-6-8-15(18)9-7-14/h3-9,11H,10,12H2,1-2H3",C17H18BrN3,,,,,,UINDKFQISUGHOO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.872,265-878-1,65693-92-7,"4,4'-[hexane-1,6-diylbis(oxy)]bis[3-bromobenzonitrile]","4,4'-[hexane-1,6-diylbis(oxy)]bis(3-bromobenzonitrile)",Brc1cc(ccc1OCCCCCCOc2ccc(cc2Br)C#N)C#N,Brc1cc(ccc1OCCCCCCOc2ccc(cc2Br)C#N)C#N,"InChI=1/C20H18Br2N2O2/c21-17-11-15(13-23)5-7-19(17)25-9-3-1-2-4-10-26-20-8-6-16(14-24)12-18(20)22/h5-8,11-12H,1-4,9-10H2",C20H18Br2N2O2,,,,,,VDHFAPUSOGNRCA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.764,266-861-1,67674-22-0,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(ethylamino)-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(NCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(NCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C17H17BrN6O6/c1-4-19-14-7-12(20-9(2)25)13(8-16(14)30-3)21-22-17-11(18)5-10(23(26)27)6-15(17)24(28)29/h5-8,19H,4H2,1-3H3,(H,20,25)",C17H17BrN6O6,,,,,,DBNNFEUEAYSBCO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.547,260-021-8,56149-10-1,"2,3-bis[(1-oxooctyl)oxy]propyl docosanoate","2,3-bis(octanoyloxy)propyl docosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,"InChI=1/C41H78O6/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-31-34-40(43)46-37-38(47-41(44)35-32-28-12-9-6-3)36-45-39(42)33-30-27-11-8-5-2/h38H,4-37H2,1-3H3",C41H78O6,,,,,,VKKGBDRVEPPFDR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.357,252-108-4,34598-33-9,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid",OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)",C11H5F17O2,,,,,,JZRCRCFPVAXHHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.358,252-110-5,34608-41-8,"3',4,4',5,5',6,6',7-octahydro-1(3H),7'-bi-2H-azepine","7-azepan-1-yl-3,4,5,6-tetrahydro-2H-azepine",C1CCCN(CC1)C2=NCCCCC2,C1CCCN(CC1)C2=NCCCCC2,InChI=1/C12H22N2/c1-2-7-11-14(10-6-1)12-8-4-3-5-9-13-12/h1-11H2,C12H22N2,,,,,,FWCBVOXJYYZVQD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.364,252-116-8,34619-37-9,"5-butyl-3,3-dichlorodihydrofuran-2(3H)-one","5-butyl-3,3-dichlorodihydrofuran-2(3H)-one",CCCCC1CC(Cl)(Cl)C(=O)O1,CCCCC1CC(Cl)(Cl)C(=O)O1,"InChI=1/C8H12Cl2O2/c1-2-3-4-6-5-8(9,10)7(11)12-6/h6H,2-5H2,1H3",C8H12Cl2O2,,,,,,JAPULIJSISIKSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.365,252-117-3,34619-39-1,"3,3-dichloro-5-ethyldihydrofuran-2(3H)-one","3,3-dichloro-5-ethyldihydrofuran-2(3H)-one",CCC1CC(Cl)(Cl)C(=O)O1,CCC1CC(Cl)(Cl)C(=O)O1,"InChI=1/C6H8Cl2O2/c1-2-4-3-6(7,8)5(9)10-4/h4H,2-3H2,1H3",C6H8Cl2O2,,,,,,YBZVLIZQBUCDQU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.368,252-121-5,34624-81-2,"2,6-bis(tert-butyl)-4-(1-methyl-1-phenylethyl)phenol","2,6-di-tert-butyl-4-(1-methyl-1-phenylethyl)phenol",CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)c2ccccc2,CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)c2ccccc2,"InChI=1/C23H32O/c1-21(2,3)18-14-17(15-19(20(18)24)22(4,5)6)23(7,8)16-12-10-9-11-13-16/h9-15,24H,1-8H3",C23H32O,,,,,,ROEHFIIRMUXFRR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.373,252-126-2,34645-84-6,Fenclofenac,"[2-(2,4-dichlorophenoxy)phenyl]acetic acid",OC(=O)Cc1ccccc1Oc2ccc(Cl)cc2Cl,OC(=O)Cc1ccccc1Oc2ccc(Cl)cc2Cl,"InChI=1/C14H10Cl2O3/c15-10-5-6-13(11(16)8-10)19-12-4-2-1-3-9(12)7-14(17)18/h1-6,8H,7H2,(H,17,18)",C14H10Cl2O3,,,,,,IDKAXRLETRCXKS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.387,252-141-4,34681-24-8,3-(methylsulphinyl)butan-2-one O-[(methylamino)carbonyl]oxime,3-(methylsulphinyl)butan-2-one O-[(methylamino)carbonyl]oxime,CS(=O)C(C)C(C)=NOC(=O)NC,CS(=O)C(C)C(C)=NOC(=O)NC,"InChI=1/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10)",C7H14N2O3S,,,,,,RCTCYOQIGNPQJH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.390,252-145-6,34684-43-0,"5-acetamido-2,4-dimethylbenzenesulphonyl chloride","5-acetamido-2,4-dimethylbenzenesulfonyl chloride",CC(=O)Nc1cc(c(C)cc1C)S(=O)(=O)Cl,CC(=O)Nc1cc(c(C)cc1C)S(=O)(=O)Cl,"InChI=1/C10H12ClNO3S/c1-6-4-7(2)10(16(11,14)15)5-9(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)",C10H12ClNO3S,,,,,,CRQMIQVYEFNWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.608,262-288-6,60550-73-4,"3-hydroxy-2,2-bis(hydroxymethyl)propyl octanoate","3-hydroxy-2,2-bis(hydroxymethyl)propyl octanoate",CCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C13H26O5/c1-2-3-4-5-6-7-12(17)18-11-13(8-14,9-15)10-16/h14-16H,2-11H2,1H3",C13H26O5,,,,,,VYZAPFCSOUVFIE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.613,262-293-3,60555-59-1,4-phenylbutyl 5-oxoprolinate,4-phenylbutyl 5-oxoprolinate,O=C(OCCCCc1ccccc1)C2CCC(=O)N2,O=C(OCCCCc1ccccc1)C2CCC(=O)N2,"InChI=1/C15H19NO3/c17-14-10-9-13(16-14)15(18)19-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)",C15H19NO3,,,,,,LJTCEFYINQOTMA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.614,262-294-9,60560-33-0,Pinacidil,"1-cyano-2-pyridin-4-yl-3-(1,2,2-trimethylpropyl)guanidine hydrate",O.CC(C)(C)C(C)NC(NC#N)=Nc1ccncc1,O.CC(C)(C)C(C)NC(NC#N)=Nc1ccncc1,"InChI=1/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2",C13H19N5,,,,,,AFJCNBBHEVLGCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.618,262-299-6,60564-78-5,"5,6-dimethylheptan-1-ol","5,6-dimethylheptan-1-ol",CC(C)C(C)CCCCO,CC(C)C(C)CCCCO,"InChI=1/C9H20O/c1-8(2)9(3)6-4-5-7-10/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,JSRZLXKKHMYWLL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.622,262-304-1,60568-54-9,4-[[2-acetamido-4-(diethylamino)phenyl]azo]benzoic acid,4-{[2-acetamido-4-(diethylamino)phenyl]diazenyl}benzoic acid,OC(=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)cc2,OC(=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)cc2,"InChI=1/C19H22N4O3/c1-4-23(5-2)16-10-11-17(18(12-16)20-13(3)24)22-21-15-8-6-14(7-9-15)19(25)26/h6-12H,4-5H2,1-3H3,(H,20,24)(H,25,26)",C19H22N4O3,,,,,,KJWDSORZBMHXTG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.250,264-095-2,63314-88-5,Methyl methylvinylphosphinate,methyl methyl(vinyl)phosphinate,COP(=O)(C)C=C,COP(=O)(C)C=C,"InChI=1/C4H9O2P/c1-4-7(3,5)6-2/h4H,1H2,2-3H3",C4H9O2P,,,,,,JGKYKHWBHHCLEP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.256,264-101-3,63331-67-9,"2-bromo-1,1,3,3-tetramethoxypropane","2-bromo-1,1,3,3-tetramethoxypropane",COC(OC)C(Br)C(OC)OC,COC(OC)C(Br)C(OC)OC,"InChI=1/C7H15BrO4/c1-9-6(10-2)5(8)7(11-3)12-4/h5-7H,1-4H3",C7H15BrO4,,,,,,TYNLQYBEUUCCGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.633,265-616-6,65202-60-0,"10-ethyl 7-methyl 1,4-dioxa-7-azaspiro[4.5]decane-7,10-dicarboxylate","10-ethyl 7-methyl 1,4-dioxa-7-azaspiro[4.5]decane-7,10-dicarboxylate",CCOC(=O)C1CCN(CC12OCCO2)C(=O)OC,CCOC(=O)C1CCN(CC12OCCO2)C(=O)OC,"InChI=1/C12H19NO6/c1-3-17-10(14)9-4-5-13(11(15)16-2)8-12(9)18-6-7-19-12/h9H,3-8H2,1-2H3",C12H19NO6,,,,,,JCSIMGKOBJIXLB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.635,265-618-7,65202-62-2,"Methyl 3,4,5,7-tetrahydro-3-oxoisoxazolo[5,4-c]pyridine-6(2H)-carboxylate","methyl 3-oxo-3,4,5,7-tetrahydroisoxazolo[5,4-c]pyridine-6(2H)-carboxylate",COC(=O)N1CCC2=C(C1)ONC2=O,COC(=O)N1CCC2=C(C1)ONC2=O,"InChI=1/C8H10N2O4/c1-13-8(12)10-3-2-5-6(4-10)14-9-7(5)11/h2-4H2,1H3,(H,9,11)",C8H10N2O4,,,,,,CNEXRJOZCQIOAP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.637,265-620-8,65206-90-8,"Ethyl amidinomethylcarbamate monohydrochloride, dimethyl derivative",ethyl (dimethylcarbamimidoyl)methylcarbamate hydrochloride,Cl.CCOC(=O)N(C)C(=N)N(C)C,Cl.CCOC(=O)N(C)C(=N)N(C)C,"InChI=1/C7H15N3O2.ClH/c1-5-12-7(11)10(4)6(8)9(2)3;/h8H,5H2,1-4H3;1H",C7H15N3O2.ClH,,,,,,WUEPKGQRDGYTSK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.639,265-622-9,65208-17-5,"2,2'-[[4-[[4-(3,3-dimethyltriazen-1-yl)phenyl]azo]phenyl]imino]bisethanol","2,2'-[(4-{[4-(3,3-dimethyltriaz-1-en-1-yl)phenyl]diazenyl}phenyl)imino]diethanol",OCCN(CCO)c1ccc(cc1)N=Nc2ccc(N=NN(C)C)cc2,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(N=NN(C)C)cc2,"InChI=1/C18H24N6O2/c1-23(2)22-21-17-5-3-15(4-6-17)19-20-16-7-9-18(10-8-16)24(11-13-25)12-14-26/h3-10,25-26H,11-14H2,1-2H3",C18H24N6O2,,,,,,FLTUKZXDNDUEPV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.640,265-623-4,65208-23-3,"1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyrrolidine-2,5-dione","1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethyl}pyrrolidine-2,5-dione",[O-][N+](=O)c3ccc(N=Nc1ccc(cc1C)N(CC)CCN2C(=O)CCC2=O)c(Cl)c3,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1C)N(CC)CCN2C(=O)CCC2=O)c(Cl)c3,"InChI=1/C21H22ClN5O4/c1-3-25(10-11-26-20(28)8-9-21(26)29)15-4-6-18(14(2)12-15)23-24-19-7-5-16(27(30)31)13-17(19)22/h4-7,12-13H,3,8-11H2,1-2H3",C21H22ClN5O4,,,,,,KHSSMHODUXTBDV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.910,268-121-3,68003-38-3,2-[(4-chloro-3-nitrophenyl)sulphonyl]anthranilic acid,"6-amino-6-[(4-chloro-3-nitrophenyl)sulfonyl]cyclohexa-2,4-diene-1-carboxylic acid",NC1(C=CC=CC1C(=O)O)S(=O)(=O)c2ccc(Cl)c(c2)[N+](=O)[O-],NC1(C=CC=CC1C(=O)O)S(=O)(=O)c2ccc(Cl)c(c2)[N+](=O)[O-],"InChI=1/C13H11ClN2O6S/c14-10-5-4-8(7-11(10)16(19)20)23(21,22)13(15)6-2-1-3-9(13)12(17)18/h1-7,9H,15H2,(H,17,18)",C13H9ClN2O6S,,,,,,KKOKXFAHORZLTK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.912,268-123-4,68003-40-7,N-(2-hydroxyethyl)-4-nitrotoluene-2-sulphonamide,N-(2-hydroxyethyl)-2-methyl-5-nitrobenzenesulfonamide,Cc1ccc(cc1S(=O)(=O)NCCO)[N+](=O)[O-],Cc1ccc(cc1S(=O)(=O)NCCO)[N+](=O)[O-],"InChI=1/C9H12N2O5S/c1-7-2-3-8(11(13)14)6-9(7)17(15,16)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3",C9H12N2O5S,,,,,,PPOLVIMYSMIWCR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.914,268-126-0,68003-42-9,"3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)benzenesulphonamide","N-(2-hydroxyethyl)-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide",CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)NCCO,CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)NCCO,"InChI=1/C12H15N3O4S/c1-9-7-12(17)15(14-9)10-3-2-4-11(8-10)20(18,19)13-5-6-16/h2-4,8,13,16H,5-7H2,1H3",C12H15N3O4S,,,,,,NYCFXTHZFLCNSY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.920,268-132-3,68003-48-5,"2'-amino-6'-(diethylamino)-3'-methoxyspiro[isobenzofuran-1[3H],9'-[9H]xanthene]-3-one","2'-amino-6'-(diethylamino)-3'-methoxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3cc(OC)c(N)cc3C24OC(=O)c5ccccc45)c1,CCN(CC)c1ccc2c(Oc3cc(OC)c(N)cc3C24OC(=O)c5ccccc45)c1,"InChI=1/C25H24N2O4/c1-4-27(5-2)15-10-11-18-21(12-15)30-22-14-23(29-3)20(26)13-19(22)25(18)17-9-7-6-8-16(17)24(28)31-25/h6-14H,4-5,26H2,1-3H3",C25H24N2O4,,,,,,XWYNCXPHQBNNRH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.925,268-138-6,68006-75-7,3-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]benzoxazolium iodide,"3-ethyl-2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4ccccc4oc3C=C2Sc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4oc3C=C2Sc1ccccc1N2CC,"InChI=1/C19H19N2OS.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1",C19H19N2OS.I,,,,,,ACCFQBRIRFGFKE-UHFFFAOYSA-M,,,,,,,,,,,
100.061.934,268-148-0,68015-83-8,Tribenzylammonium acetate,"N,N-dibenzyl(phenyl)methanaminium acetate",CC(=O)[O-].C([NH+](Cc1ccccc1)Cc2ccccc2)c3ccccc3,CC(=O)[O-].C([NH+](Cc1ccccc1)Cc2ccccc2)c3ccccc3,"InChI=1/C21H21N.C2H4O2/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-2(3)4/h1-15H,16-18H2;1H3,(H,3,4)",C21H21N.C2H4O2,,,,,,XWIAZRSRQTXXJW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.944,268-159-0,68015-93-0,Octadec-2-enylsuccinic acid,2-octadec-2-en-1-ylsuccinic acid,OC(=O)C(CC=CCCCCCCCCCCCCCCC)CC(O)=O,OC(=O)C(CC=CCCCCCCCCCCCCCCC)CC(O)=O,"InChI=1/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h16-17,20H,2-15,18-19H2,1H3,(H,23,24)(H,25,26)",C22H40O4,,,,,,OVQJAEGJPUEXQD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.880,253-786-4,38119-08-3,3-benzoyl-2-naphthoic acid,3-benzoyl-2-naphthoic acid,OC(=O)c1cc2ccccc2cc1C(=O)c3ccccc3,OC(=O)c1cc2ccccc2cc1C(=O)c3ccccc3,"InChI=1/C18H12O3/c19-17(12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)11-16(15)18(20)21/h1-11H,(H,20,21)",C18H12O3,,,,,,GDYNSPPOLCIHSP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.882,253-789-0,38120-10-4,Isopentyl 4-aminobenzoate,3-methylbutyl 4-aminobenzoate,CC(C)CCOC(=O)c1ccc(N)cc1,CC(C)CCOC(=O)c1ccc(N)cc1,"InChI=1/C12H17NO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8,13H2,1-2H3",C12H17NO2,,,,,,DVPONJRILZFUGU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.885,253-792-7,38122-81-5,"4-[1-(3-carboxy-4-hydroxy-1-naphthyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid","4-[1-(3-carboxy-4-hydroxy-1-naphthyl)-3-oxo-1H,3H-benzo[de]isochromen-1-yl]-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid",CCCCCCCCCCCCCCCCCCOc1ccc2c(O)c(cc(c2c1)C3(OC(=O)c4cccc5cccc3c45)c6cc(C(=O)O)c(O)c7ccccc67)C(=O)O,CCCCCCCCCCCCCCCCCCOc1ccc2c(O)c(cc(c2c1)C3(OC(=O)c4cccc5cccc3c45)c6cc(C(=O)O)c(O)c7ccccc67)C(=O)O,"InChI=1/C52H56O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-60-35-28-29-38-40(31-35)45(33-42(48(38)54)50(57)58)52(43-27-21-23-34-22-20-26-39(46(34)43)51(59)61-52)44-32-41(49(55)56)47(53)37-25-18-17-24-36(37)44/h17-18,20-29,31-33,53-54H,2-16,19,30H2,1H3,(H,55,56)(H,57,58)",C52H56O9,,,,,,AANWBJLLAXURNB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.888,253-795-3,38129-37-2,Bicozamycin,"6-hydroxy-5-methylene-1-(1,2,3-trihydroxy-2-methylpropyl)-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione",CC(O)(CO)C(O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2,CC(O)(CO)C(O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2,"InChI=1/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)",C12H18N2O7,,,,,,WOUDXEYYJPOSNE-CJYLUKGNSA-N,,,,,,,,,,,
100.048.892,253-800-9,38135-56-7,3-phenylbutylamine,3-phenylbutan-1-amine,CC(CCN)c1ccccc1,CC(CCN)c1ccccc1,"InChI=1/C10H15N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3",C10H15N,,,,,,HJMCIHLESAJJQL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.708,255-798-5,42399-48-4,"[S-(R*,R*)]-3-[(o-aminophenyl)thio]-3-(p-methoxyphenyl)lactic acid",3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid,COc1ccc(cc1)C(Sc2ccccc2N)C(O)C(=O)O,COc1ccc(cc1)C(Sc2ccccc2N)C(O)C(=O)O,"InChI=1/C16H17NO4S/c1-21-11-8-6-10(7-9-11)15(14(18)16(19)20)22-13-5-3-2-4-12(13)17/h2-9,14-15,18H,17H2,1H3,(H,19,20)",C16H17NO4S,,,,,,KHQWPNQLSKDWAR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.711,255-802-5,42399-54-2,"(2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride","5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride",Cl.COc1ccc(cc1)[C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)C,Cl.COc1ccc(cc1)[C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)C,"InChI=1/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H",C22H26N2O4S.ClH,,,,,,HDRXZJPWHTXQRI-JUDYQFGCSA-N,,,,,,,,,,,
100.050.725,255-817-7,42427-72-5,Dimethylbromonium hexafluoroantimonate(1-),dimethylbromonium hexafluoroantimonate(1-),C[Br+]C.F[Sb-](F)(F)(F)(F)F,C[Br+]C.F[Sb-](F)(F)(F)(F)F,"InChI=1/C2H6Br.6FH.Sb/c1-3-2;;;;;;;/h1-2H3;6*1H;/q+1;;;;;;;+5/p-6/rC2H6Br.F6Sb/c1-3-2;1-7(2,3,4,5)6/h1-2H3;/q+1;-1",C2H6Br.F6Sb,,,,,,NWAINWREYNPXNE-UHFFFAOYSA-H,,,,,,,,,,,
100.050.728,255-820-3,42434-88-8,2-(2-bromophenoxy)-1-phenylethan-1-one,2-(2-bromophenoxy)-1-phenylethanone,Brc1ccccc1OCC(=O)c2ccccc2,Brc1ccccc1OCC(=O)c2ccccc2,"InChI=1/C14H11BrO2/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h1-9H,10H2",C14H11BrO2,,,,,,VMCDJFHHWCZFIK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.732,255-825-0,42435-97-2,1-methyl-5-(4-methylbenzoyl)pyrrolidin-2-one,1-methyl-5-(4-methylbenzoyl)pyrrolidin-2-one,CN1C(CCC1=O)C(=O)c2ccc(C)cc2,CN1C(CCC1=O)C(=O)c2ccc(C)cc2,"InChI=1/C13H15NO2/c1-9-3-5-10(6-4-9)13(16)11-7-8-12(15)14(11)2/h3-6,11H,7-8H2,1-2H3",C13H15NO2,,,,,,FAZNFGVZSSOHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.741,255-835-5,42460-67-3,"10-benzyl-3,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine","10-benzyl-3,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine",CC(C)(C)CC(C)(C)c1ccc2N(Cc3ccccc3)c4ccc(cc4Sc2c1)C(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)c1ccc2N(Cc3ccccc3)c4ccc(cc4Sc2c1)C(C)(C)CC(C)(C)C,"InChI=1/C35H47NS/c1-32(2,3)23-34(7,8)26-16-18-28-30(20-26)37-31-21-27(35(9,10)24-33(4,5)6)17-19-29(31)36(28)22-25-14-12-11-13-15-25/h11-21H,22-24H2,1-10H3",C35H47NS,,,,,,ULUJZISRAAZRAL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.745,255-839-7,42476-21-1,"Sodium hydrogen N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamate","sodium hydrogen 2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)amino]pentanedioate",[Na+].NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N2C=O)N1,[Na+].NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N2C=O)N1,"InChI=1/C20H23N7O7.Na/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+1/p-2",C20H23N7O7.Na,,,,,,UDDUKFYJPZYIPC-ZEDZUCNESA-L,,,,,,,,,,,
100.060.777,266-875-8,67674-37-7,"(2Z,6Z)-1,1-diethoxynona-2,6-diene","1,1-diethoxynona-2,6-diene",CCOC(OCC)\\C=C/CC\\C=C/CC,CCOC(OCC)\C=C/CC\C=C/CC,"InChI=1/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3",C13H24O2,,,,,,GCIRJCKOUVCUBZ-MQEUWQHPSA-N,,,,,,,,,,,
100.056.023,261-645-3,59185-95-4,"2-ethylhexyl 12-ethyl-5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate","2-ethylhexyl 12-ethyl-5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecan-1-oate",CCCCCCCC[Sn](CCCCCCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC,CCCCCCCC[Sn](CCCCCCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC,"InChI=1/2C11H22O2S.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;2*1-3-5-7-8-6-4-2;/h2*10,14H,3-9H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC38H76O4S2Sn/c1-7-13-17-19-21-23-31-45(32-24-22-20-18-14-8-2,43-29-27-37(39)41-33-35(11-5)25-15-9-3)44-30-28-38(40)42-34-36(12-6)26-16-10-4/h35-36H,7-34H2,1-6H3",C38H76O4S2Sn,,,,,,AABSCORIAJETCY-UHFFFAOYSA-L,,,,,,,,,,,
100.056.028,261-651-6,59189-82-1,Didodecyl 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl phosphite,didodecyl 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl phosphite,CCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1ccc(cc1)C(C)(C)c2ccc(O)cc2,CCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1ccc(cc1)C(C)(C)c2ccc(O)cc2,"InChI=1/C39H65O4P/c1-5-7-9-11-13-15-17-19-21-23-33-41-44(42-34-24-22-20-18-16-14-12-10-8-6-2)43-38-31-27-36(28-32-38)39(3,4)35-25-29-37(40)30-26-35/h25-32,40H,5-24,33-34H2,1-4H3",C39H65O4P,,,,,,VBQRJCUGJJZMHY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.031,261-654-2,59192-05-1,"N-(2,5-dichlorophenyl)-3-hydroxynaphthalene-2-carboxamide","N-(2,5-dichlorophenyl)-3-hydroxy-2-naphthamide",Oc1cc2ccccc2cc1C(=O)Nc3cc(Cl)ccc3Cl,Oc1cc2ccccc2cc1C(=O)Nc3cc(Cl)ccc3Cl,"InChI=1/C17H11Cl2NO2/c18-12-5-6-14(19)15(9-12)20-17(22)13-7-10-3-1-2-4-11(10)8-16(13)21/h1-9,21H,(H,20,22)",C17H11Cl2NO2,,,,,,XRSZVNFMWDURBA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.035,261-658-4,59209-97-1,(±)-7-[[(4-fluorophenyl)methyl]amino]-8-methylnonan-1-oic acid,7-[(4-fluorobenzyl)amino]-8-methylnonanoic acid,CC(C)C(CCCCCC(=O)O)NCc1ccc(F)cc1,CC(C)C(CCCCCC(=O)O)NCc1ccc(F)cc1,"InChI=1/C17H26FNO2/c1-13(2)16(6-4-3-5-7-17(20)21)19-12-14-8-10-15(18)11-9-14/h8-11,13,16,19H,3-7,12H2,1-2H3,(H,20,21)",C17H26FNO2,,,,,,YZYKBQUWMPUVEN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.041,261-665-2,59219-71-5,"3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate","3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate",CC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C18H36O2/c1-14(12-17(3,4)5)9-10-20-16(19)11-15(2)13-18(6,7)8/h14-15H,9-13H2,1-8H3",C18H36O2,Full,Joint,10+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16846,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.041,UIVPNOBLHXUKDX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.046,261-671-5,59230-57-8,4-isopropylbenzyl acetate,4-isopropylbenzyl acetate,CC(C)c1ccc(COC(=O)C)cc1,CC(C)c1ccc(COC(=O)C)cc1,"InChI=1/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3",C12H16O2,,,,,,QBCRVYRADYXNOW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.944,263-758-3,62922-45-6,"(2,5-dichloropentyl)ammonium chloride","2,5-dichloropentan-1-aminium chloride",[Cl-].[NH3+]CC(Cl)CCCCl,[Cl-].[NH3+]CC(Cl)CCCCl,"InChI=1/C5H11Cl2N.ClH/c6-3-1-2-5(7)4-8;/h5H,1-4,8H2;1H",C5H11Cl2N.ClH,,,,,,ATGSLQBVSZNJMT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.949,263-764-6,62933-29-3,"9-fluoro-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine","9-fluoro-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine",Fc1ccc2[nH]c3C4=CCCCN4CCc3c2c1,Fc1ccc2[nH]c3C4=CCCCN4CCc3c2c1,"InChI=1/C15H15FN2/c16-10-4-5-13-12(9-10)11-6-8-18-7-2-1-3-14(18)15(11)17-13/h3-5,9,17H,1-2,6-8H2",C15H15FN2,,,,,,PGEIIBNTUIUXKW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.951,263-766-7,62936-23-6,3-chloro-4-hydroxy-5-methoxybenzoic acid,3-chloro-4-hydroxy-5-methoxybenzoic acid,COc1cc(cc(Cl)c1O)C(=O)O,COc1cc(cc(Cl)c1O)C(=O)O,"InChI=1/C8H7ClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)",C8H7ClO4,,,,,,XBRYEHVBBMSSCG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.954,263-769-3,62952-06-1,DL-lysine mono(o-acetoxybenzoate),2-acetoxybenzoic acid - lysine (1:1),CC(=O)Oc1ccccc1C(=O)O.NCCCCC(N)C(=O)O,CC(=O)Oc1ccccc1C(=O)O.NCCCCC(N)C(=O)O,"InChI=1/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)",C9H8O4.C6H14N2O2,,,,,,JJBCTCGUOQYZHK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.957,263-773-5,62967-01-5,"[2,3-dichloro-4-(4-chlorobenzoyl)phenoxy]acetic acid","[2,3-dichloro-4-(4-chlorobenzoyl)phenoxy]acetic acid",OC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1Cl,OC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1Cl,"InChI=1/C15H9Cl3O4/c16-9-3-1-8(2-4-9)15(21)10-5-6-11(14(18)13(10)17)22-7-12(19)20/h1-6H,7H2,(H,19,20)",C15H9Cl3O4,,,,,,NWMCYHHRDSLUGY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.959,263-775-6,62970-92-7,4-(4-nitrophenoxy)anilinium chloride,4-(4-nitrophenoxy)anilinium chloride,[Cl-].[NH3+]c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,[Cl-].[NH3+]c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C12H10N2O3.ClH/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16;/h1-8H,13H2;1H",C12H10N2O3.ClH,,,,,,FDQAGKDMDFYNBL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.964,263-780-3,62992-61-4,Etersalate,2-(4-acetamidophenoxy)ethyl 2-acetoxybenzoate,CC(=O)Nc1ccc(OCCOC(=O)c2ccccc2OC(=O)C)cc1,CC(=O)Nc1ccc(OCCOC(=O)c2ccccc2OC(=O)C)cc1,"InChI=1/C19H19NO6/c1-13(21)20-15-7-9-16(10-8-15)24-11-12-25-19(23)17-5-3-4-6-18(17)26-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,21)",C19H19NO6,,,,,,PXBFSRVXEKCBFP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.257,264-102-9,63333-32-4,"N-methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline","N-methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline",CN(c1ccccc1)c2c(cc(cc2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-],CN(c1ccccc1)c2c(cc(cc2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H10F3N3O4/c1-18(9-5-3-2-4-6-9)13-11(14(15,16)17)7-10(19(21)22)8-12(13)20(23)24/h2-8H,1H3",C14H10F3N3O4,,,,,,JYCNXMMTVIAGJC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.265,264-111-8,63365-92-4,1-[3-(triethoxysilyl)propyl]-1H-imidazole,1-[3-(triethoxysilyl)propyl]-1H-imidazole,CCO[Si](CCCn1ccnc1)(OCC)OCC,CCO[Si](CCCn1ccnc1)(OCC)OCC,"InChI=1/C12H24N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h8,10,12H,4-7,9,11H2,1-3H3",C12H24N2O3Si,,,,,,URLXRQIVAJGITA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.169,266-207-5,66165-37-5,"Ethyl hydrogen [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate","ethyl hydrogen (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate",CCOP(=O)(O)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCOP(=O)(O)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C17H29O4P/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3,(H,19,20)",C17H29O4P,,,,,,WBSRIXCTCFFHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.173,266-211-7,66170-39-6,Hexadecyl nicotinate,hexadecyl nicotinate,CCCCCCCCCCCCCCCCOC(=O)c1cccnc1,CCCCCCCCCCCCCCCCOC(=O)c1cccnc1,"InChI=1/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22(24)21-17-16-18-23-20-21/h16-18,20H,2-15,19H2,1H3",C22H37NO2,,,,,,SIYPIMGFUQHRFF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.178,266-216-4,66172-79-0,"Bis[17-(nonylphenoxy)-3,6,9,12,15-pentaoxaheptadecan-1-yl] hydrogen phosphate","bis[17-(2-nonylphenoxy)-3,6,9,12,15-pentaoxaheptadec-1-yl] hydrogen phosphate",CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOc2ccccc2CCCCCCCCC,CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOc2ccccc2CCCCCCCCC,"InChI=1/C54H95O16P/c1-3-5-7-9-11-13-15-21-51-23-17-19-25-53(51)67-47-43-63-39-35-59-31-27-57-29-33-61-37-41-65-45-49-69-71(55,56)70-50-46-66-42-38-62-34-30-58-28-32-60-36-40-64-44-48-68-54-26-20-18-24-52(54)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-50H2,1-2H3,(H,55,56)",C54H95O16P,,,,,,CXJNUUJXSIVKDP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.181,266-220-6,66172-85-8,"26-(dinonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol","26-(2,3-dinonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol",CCCCCCCCCc1cccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)c1CCCCCCCCC,CCCCCCCCCc1cccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)c1CCCCCCCCC,"InChI=1/C42H78O10/c1-3-5-7-9-11-13-15-18-40-19-17-21-42(41(40)20-16-14-12-10-8-6-4-2)52-39-38-51-37-36-50-35-34-49-33-32-48-31-30-47-29-28-46-27-26-45-25-24-44-23-22-43/h17,19,21,43H,3-16,18,20,22-39H2,1-2H3",C42H78O10,,,,,,MGKBNTTWUIKCKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.184,266-223-2,66181-84-8,"1,4,5,8-tetrakis(phenylamino)anthraquinone","1,4,5,8-tetraanilino-9,10-anthraquinone",O=C1c2c(Nc3ccccc3)ccc(Nc4ccccc4)c2C(=O)c5c(Nc6ccccc6)ccc(Nc7ccccc7)c15,O=C1c2c(Nc3ccccc3)ccc(Nc4ccccc4)c2C(=O)c5c(Nc6ccccc6)ccc(Nc7ccccc7)c15,"InChI=1/C38H28N4O2/c43-37-33-29(39-25-13-5-1-6-14-25)21-22-30(40-26-15-7-2-8-16-26)34(33)38(44)36-32(42-28-19-11-4-12-20-28)24-23-31(35(36)37)41-27-17-9-3-10-18-27/h1-24,39-42H",C38H28N4O2,,,,,,YFGXHOXJMJBGNY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.186,266-225-3,66182-98-7,"Disodium thiazolo[5,4-d]thiazole-2,5-diylbis[methoxybenzenesulphonate]","disodium 3,3'-[1,3]thiazolo[5,4-d][1,3]thiazole-2,5-diylbis(2-methoxybenzenesulfonate)",[Na+].[Na+].COc1c(cccc1S(=O)(=O)[O-])c2nc3sc(nc3s2)c4cccc(c4OC)S(=O)(=O)[O-],[Na+].[Na+].COc1c(cccc1S(=O)(=O)[O-])c2nc3sc(nc3s2)c4cccc(c4OC)S(=O)(=O)[O-],"InChI=1/C18H14N2O8S4.2Na/c1-27-13-9(5-3-7-11(13)31(21,22)23)15-19-17-18(29-15)20-16(30-17)10-6-4-8-12(14(10)28-2)32(24,25)26;;/h3-8H,1-2H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C18H14N2O8S4.2Na,,,,,,SUJYYJZIWYSVKN-UHFFFAOYSA-L,,,,,,,,,,,
100.060.188,266-227-4,66185-71-5,4-methyl-2-oxo-2H-1-benzopyran-7-yl laurate,4-methyl-2-oxo-2H-chromen-7-yl laurate,CCCCCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCCCCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-21(23)25-18-13-14-19-17(2)15-22(24)26-20(19)16-18/h13-16H,3-12H2,1-2H3",C22H30O4,,,,,,KDECSHRKPUAALS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.190,266-230-0,66197-75-9,"Sodium 3,6,9,12,15,18,21-heptaoxatritriacontyl sulphate","sodium 3,6,9,12,15,18,21-heptaoxatritriacont-1-yl sulfate",[Na+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C26H54O11S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23-24-36-25-26-37-38(27,28)29;/h2-26H2,1H3,(H,27,28,29);/q;+1/p-1",C26H54O11S.Na,,,,,,JKKDGDPIWFJCJG-UHFFFAOYSA-M,,,,,,,,,,,
100.054.553,260-028-6,56175-55-4,2-[(4-isopropylcyclohex-1-en-1-yl)methyl]cyclopentan-1-one,2-[(4-isopropylcyclohex-1-en-1-yl)methyl]cyclopentanone,CC(C)C1CCC(=CC1)CC2CCCC2=O,CC(C)C1CCC(=CC1)CC2CCCC2=O,"InChI=1/C15H24O/c1-11(2)13-8-6-12(7-9-13)10-14-4-3-5-15(14)16/h6,11,13-14H,3-5,7-10H2,1-2H3",C15H24O,,,,,,CACFYQYLLIRCQK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.850,266-955-2,67701-37-5,[(octylsuccinyl)bis(oxy)]bis[tributylstannane],"5,5,12,12-tetrabutyl-8-octyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadecane",CCCCCCCCC(CC(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCCCCCC(CC(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C12H22O4.6C4H9.2Sn/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;6*1-3-4-2;;/h10H,2-9H2,1H3,(H,13,14)(H,15,16);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC36H74O4Sn2/c1-8-15-22-23-24-25-26-34(36(38)40-42(30-19-12-5,31-20-13-6)32-21-14-7)33-35(37)39-41(27-16-9-2,28-17-10-3)29-18-11-4/h34H,8-33H2,1-7H3",C36H74O4Sn2,,,,,,CQHWKSNAXPLVEG-UHFFFAOYSA-L,,,,,,,,,,,
100.060.856,266-962-0,67711-86-8,Dilead silicate sulphate,dilead silicate sulphate,[Pb+2].[Pb+2].[O-][Si](=O)[O-].[O-]S(=O)(=O)[O-],[Pb+2].[Pb+2].[O-][Si](=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.O3Si.2Pb.4H/c1-5(2,3)4;1-4(2)3;;;;;;/h(H2,1,2,3,4);;;;;;;/q;-2;2*+4;;;;/p-2/rH2O4S.O3Si.2H2Pb/c1-5(2,3)4;1-4(2)3;;/h(H2,1,2,3,4);;2*1H2/q;-2;2*+4/p-2",O7Pb2SSi,,,,,,PRPHVBVKHUMTMP-UHFFFAOYSA-L,,,,,,,,,,,
100.056.106,261-736-8,59404-74-9,"5-oxo-DL-proline, compound with dodecyl DL-valinate (1:1)",5-oxo-L-proline - dodecyl L-valinate (1:1),CCCCCCCCCCCCOC(=O)[C@@H](N)C(C)C.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCOC(=O)[C@@H](N)C(C)C.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C17H35NO2.C5H7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-20-17(19)16(18)15(2)3;7-4-2-1-3(6-4)5(8)9/h15-16H,4-14,18H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C17H35NO2.C5H7NO3,,,,,,AMBDPTFAWXBVRQ-IOIXYPRTSA-N,,,,,,,,,,,
100.056.111,261-742-0,59409-41-5,N2-(1-oxododecyl)-L-lysine,N~2~-dodecanoyl-L-lysine,CCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O,CCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O,"InChI=1/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-16(18(22)23)13-11-12-15-19/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)",C18H36N2O3,,,,,,PDQICKRFOKDJCH-INIZCTEOSA-N,,,,,,,,,,,
100.056.119,261-750-4,59413-34-2,Potassium dimethylphenylsilanolate,potassium dimethyl(phenyl)silanolate,[K+].C[Si](C)([O-])c1ccccc1,[K+].C[Si](C)([O-])c1ccccc1,"InChI=1/C8H11OSi.K/c1-10(2,9)8-6-4-3-5-7-8;/h3-7H,1-2H3;/q-1;+1",C8H12OSi.K,,,,,,ZFIXSEOSUNIMAS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.758,263-553-9,62462-05-9,Methyl 5-methoxy-3-oxopentanoate,methyl 5-methoxy-3-oxopentanoate,COCCC(=O)CC(=O)OC,COCCC(=O)CC(=O)OC,"InChI=1/C7H12O4/c1-10-4-3-6(8)5-7(9)11-2/h3-5H2,1-2H3",C7H12O4,,,,,,OPURNNHYTATPKM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.650,265-634-4,65212-77-3,"Calcium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate","calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Ca+2].[O-]S(=O)(=O)c3cc(Cl)c(Cl)cc3N=NC2C(\\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O,[Ca+2].[O-]S(=O)(=O)c3cc(Cl)c(Cl)cc3N=NC2C(\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O,"InChI=1/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2",C16H12Cl2N4O7S2.Ca,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5751,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.650,KJAXOZTWNHRZQG-UHFFFAOYSA-L,,,,,,,,,,,
100.059.656,265-641-2,65229-08-5,2-ethyl-N-propylhexylamine,N-(2-methylbutyl)hexan-1-amine,CCCCCCNCC(C)CC,CCCCCCNCC(C)CC,"InChI=1/C11H25N/c1-4-6-7-8-9-12-10-11(3)5-2/h11-12H,4-10H2,1-3H3",C11H25N,,,,,,HHPIHJIJYZUWKH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.664,265-650-1,65235-63-4,"1,8-diamino-2-bromo-4,5-dihydroxyanthraquinone","1,8-diamino-2-bromo-4,5-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(O)cc(Br)c(N)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(O)cc(Br)c(N)c3C(=O)c12,"InChI=1/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)13(20)8-5(16)1-2-6(18)9(8)14(10)21/h1-3,18-19H,16-17H2",C14H9BrN2O4,,,,,,SBSBBPZTTALABX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.665,265-651-7,65235-64-5,"1,8-diamino-2,7-dibromo-4,5-dihydroxyanthraquinone","1,8-diamino-2,7-dibromo-4,5-dihydroxy-9,10-anthraquinone",Nc1c(Br)cc(O)c2C(=O)c3c(O)cc(Br)c(N)c3C(=O)c12,Nc1c(Br)cc(O)c2C(=O)c3c(O)cc(Br)c(N)c3C(=O)c12,"InChI=1/C14H8Br2N2O4/c15-3-1-5(19)7-9(11(3)17)14(22)10-8(13(7)21)6(20)2-4(16)12(10)18/h1-2,19-20H,17-18H2",C14H8Br2N2O4,,,,,,FNLWDOVWRPOCBS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.666,265-652-2,65237-05-0,"5-amino-4-hydroxy-3-[(1-sulpho-2-naphthyl)azo]naphthalene-2,7-disulphonic acid","5-amino-4-hydroxy-3-[(1-sulfo-2-naphthyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)c3c4ccccc4ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)c3c4ccccc4ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C20H15N3O10S3/c21-14-9-12(34(25,26)27)7-11-8-16(35(28,29)30)18(19(24)17(11)14)23-22-15-6-5-10-3-1-2-4-13(10)20(15)36(31,32)33/h1-9,24H,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)",C20H15N3O10S3,,,,,,AWWNMIDVRILOPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.671,265-658-5,65244-18-0,"Dimethyl 1-(p-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-4,7-methano-1H-[1,2]diazeto[3,4-f]benzotriazole-5,6-dicarboxylate","dimethyl 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole-5,6-dicarboxylate",COC(=O)N1C2C3CC(C4C3N=NN4c5ccc(Cl)cc5)C2N1C(=O)OC,COC(=O)N1C2C3CC(C4C3N=NN4c5ccc(Cl)cc5)C2N1C(=O)OC,"InChI=1/C17H18ClN5O4/c1-26-16(24)22-14-10-7-11(15(14)23(22)17(25)27-2)13-12(10)19-20-21(13)9-5-3-8(18)4-6-9/h3-6,10-15H,7H2,1-2H3",C17H18ClN5O4,,,,,,LBQLWRPHYYZOOI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.676,265-663-2,65269-96-7,Hexane-1-sulphonyl fluoride,hexane-1-sulfonyl fluoride,CCCCCCS(=O)(=O)F,CCCCCCS(=O)(=O)F,"InChI=1/C6H13FO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3",C6H13FO2S,,,,,,DNCIDNCRBAKPTP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.747,255-841-8,42479-88-9,"3,4'-bis(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol","3,4'-di-tert-butylbiphenyl-4-ol",CC(C)(C)c1ccc(cc1)c2ccc(O)c(c2)C(C)(C)C,CC(C)(C)c1ccc(cc1)c2ccc(O)c(c2)C(C)(C)C,"InChI=1/C20H26O/c1-19(2,3)16-10-7-14(8-11-16)15-9-12-18(21)17(13-15)20(4,5)6/h7-13,21H,1-6H3",C20H26O,,,,,,FVOGYQFJLZIROB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.613,253-494-7,37405-99-5,"Sodium 4-[[5-amino-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]azo]-2,5-dichlorobenzenesulphonate","sodium 4-{[5-amino-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]diazenyl}-2,5-dichlorobenzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccc(Cl)cc2)c3N,[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccc(Cl)cc2)c3N,"InChI=1/C16H12Cl3N5O3S.Na/c1-8-15(16(20)24(23-8)10-4-2-9(17)3-5-10)22-21-13-6-12(19)14(7-11(13)18)28(25,26)27;/h2-7H,20H2,1H3,(H,25,26,27);/q;+1/p-1",C16H12Cl3N5O3S.Na,,,,,,WVSLLOUASIRMKK-UHFFFAOYSA-M,,,,,,,,,,,
100.048.617,253-498-9,37413-97-1,"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11ß,16a)-","sodium 3-{[(9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@H]5[C@H](C)C[C@@H]2[C@]5(C)C[C@H](O)[C@]3(F)[C@@]4(C)/C=C\\C(=O)/C=C4/CC[C@@H]23,[Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@H]5[C@H](C)C[C@@H]2[C@]5(C)C[C@H](O)[C@]3(F)[C@@]4(C)/C=C\C(=O)/C=C4/CC[C@@H]23,"InChI=1/C29H33FO8S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-28(18,3)29(21,30)24(33)14-27(22,2)25(16)23(32)15-38-26(34)17-5-4-6-20(12-17)39(35,36)37;/h4-6,9-10,12-13,16,21-22,24-25,33H,7-8,11,14-15H2,1-3H3,(H,35,36,37);/q;+1/p-1",C29H33FO8S.Na,,,,,,YSGNXNJCNVKEIN-FVKNIENFSA-M,,,,,,,,,,,
100.048.621,253-502-9,37421-08-2,2-(2-ethoxyethoxy)ethan(2H)ol,2-(2-ethoxyethoxy)ethanol,CCOCCOCCO,CCOCCOCCO,"InChI=1/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3",C6H13DO3,,,,,,XXJWXESWEXIICW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.622,253-503-4,37422-04-1,3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methylbenzothiazolium iodide,"3-(2-carboxyethyl)-2-{2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-methyl-1,3-benzothiazol-3-ium iodide",[I-].OC(=O)CC[n+]3c4cc(C)ccc4sc3C=C(CC)C=C2Sc1ccc(C)cc1N2CC,[I-].OC(=O)CC[n+]3c4cc(C)ccc4sc3C=C(CC)C=C2Sc1ccc(C)cc1N2CC,"InChI=1/C26H28N2O2S2.HI/c1-5-19(15-24-27(6-2)20-13-17(3)7-9-22(20)31-24)16-25-28(12-11-26(29)30)21-14-18(4)8-10-23(21)32-25;/h7-10,13-16H,5-6,11-12H2,1-4H3;1H",C26H29N2O2S2.I,,,,,,YPOWWYMDBQEBAD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.128,255-160-6,40953-14-8,"2,5-diethyloxazole","2,5-diethyl-1,3-oxazole",CCc1oc(CC)nc1,CCc1oc(CC)nc1,"InChI=1/C7H11NO/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3",C7H11NO,,,,,,IQWHXRKZJXFLTB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.131,255-163-2,40953-34-2,"2-amino-1H-imidazole-4,5-dicarbonitrile","2-amino-1H-imidazole-4,5-dicarbonitrile",Nc1nc(C#N)c(C#N)[nH]1,Nc1nc(C#N)c(C#N)[nH]1,"InChI=1/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10)",C5H3N5,,,,,,MLOXIXGLIZLPDP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.134,255-166-9,40990-27-0,1-(allyl)-2-(nitromethylene)pyrrolidine,1-allyl-2-(nitromethylene)pyrrolidine,C=CCN1CCCC1=C[N+]([O-])=O,C=CCN1CCCC1=C[N+]([O-])=O,"InChI=1/C8H12N2O2/c1-2-5-9-6-3-4-8(9)7-10(11)12/h2,7H,1,3-6H2",C8H12N2O2,,,,,,LWWSULAJWWHYIC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.135,255-167-4,40993-15-5,"Potassium 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenylacetate","potassium [4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetate",[K+].Oc1ccc(Oc2c(I)cc(CC(=O)[O-])cc2I)cc1I,[K+].Oc1ccc(Oc2c(I)cc(CC(=O)[O-])cc2I)cc1I,"InChI=1/C14H9I3O4.K/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20;/h1-4,6,18H,5H2,(H,19,20);/q;+1/p-1",C14H9I3O4.K,,,,,,LMSASRWXHHYSTN-UHFFFAOYSA-M,,,,,,,,,,,
100.050.137,255-170-0,40995-61-7,"Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxobutyrate","ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxobutanoate",O=C(C(=COCC)C(=O)OCC)C(OCC)OCC,O=C(C(=COCC)C(=O)OCC)C(OCC)OCC,"InChI=1/C13H22O6/c1-5-16-9-10(12(15)17-6-2)11(14)13(18-7-3)19-8-4/h9,13H,5-8H2,1-4H3",C13H22O6,,,,,,CJDBTRBKLAYPCF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.140,255-173-7,41004-47-1,5-methylheptyl 3-mercaptopropionate,5-methylheptyl 3-sulfanylpropanoate,CCC(C)CCCCOC(=O)CCS,CCC(C)CCCCOC(=O)CCS,"InChI=1/C11H22O2S/c1-3-10(2)6-4-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3",C11H22O2S,,,,,,WSEANFMTJISBJG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.145,255-178-4,41025-67-6,"3-[(2,4-dihydro-2,4-dimethyl-3H-1,2,4-triazol-3-ylidene)hydrazono]-1-methyl-2-phenyl-3H-indolium chloride","3-[(2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)hydrazono]-1-methyl-2-phenyl-3H-indolium chloride",[Cl-].CN4/C=N\\N(C)C4=NN=C3c1ccccc1[N+](\\C)=C3\\c2ccccc2,[Cl-].CN4/C=N\N(C)C4=NN=C3c1ccccc1[N+](\C)=C3\c2ccccc2,"InChI=1/C19H19N6.ClH/c1-23-13-20-25(3)19(23)22-21-17-15-11-7-8-12-16(15)24(2)18(17)14-9-5-4-6-10-14;/h4-13H,1-3H3;1H/q+1;/p-1",C19H19N6.Cl,,,,,,CNKXSGBFDSBULR-UHFFFAOYSA-M,,,,,,,,,,,
100.050.151,255-185-2,41036-32-2,O-benzyl-D-alanine toluene-p-sulphonate,benzyl D-alaninate 4-methylbenzenesulfonate,C[C@@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,C[C@@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,"InChI=1/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)",C10H13NO2.C7H8O3S,,,,,,NWOPHJSSBMABBD-DDWIOCJRSA-N,,,,,,,,,,,
100.057.970,263-787-1,63007-26-1,"2,5-dimethyl-2-(prop-1-enyl)hex-4-enal","2,5-dimethyl-2-prop-1-en-1-ylhex-4-enal",CC=CC(C)(C\\C=C(/C)C)C=O,CC=CC(C)(C\C=C(/C)C)C=O,"InChI=1/C11H18O/c1-5-7-11(4,9-12)8-6-10(2)3/h5-7,9H,8H2,1-4H3",C11H18O,,,,,,XXYFAGWOSDDCEC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.981,263-799-7,63024-77-1,3-(chloromethyl)benzoyl chloride,3-(chloromethyl)benzoyl chloride,ClCc1cccc(c1)C(=O)Cl,ClCc1cccc(c1)C(=O)Cl,"InChI=1/C8H6Cl2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2",C8H6Cl2O,,,,,,YCAIYRWHKSJKEB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.982,263-800-0,63024-79-3,"3,6-dimethylhept-5-en-2-ol","3,6-dimethylhept-5-en-2-ol",CC(O)C(C)CC=C(C)C,CC(O)C(C)CC=C(C)C,"InChI=1/C9H18O/c1-7(2)5-6-8(3)9(4)10/h5,8-10H,6H2,1-4H3",C9H18O,,,,,,AWYGYJMZAKVOQO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.370,265-327-5,65053-91-0,4-benzyl-6-chloro-o-cresol,4-benzyl-2-chloro-6-methylphenol,Cc1cc(Cc2ccccc2)cc(Cl)c1O,Cc1cc(Cc2ccccc2)cc(Cl)c1O,"InChI=1/C14H13ClO/c1-10-7-12(9-13(15)14(10)16)8-11-5-3-2-4-6-11/h2-7,9,16H,8H2,1H3",C14H13ClO,,,,,,ZNNPQQQAYCQFHP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.901,268-111-9,68003-17-8,Disodium tetradecenedisulphonate,"disodium tetradec-1-ene-1,1-disulfonate",[Na+].[Na+].CCCCCCCCCCCCC=C(S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCC=C(S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H28O6S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(21(15,16)17)22(18,19)20;;/h13H,2-12H2,1H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2",C14H28O6S2.2Na,,,,,,YGZLTQRIFINVIP-UHFFFAOYSA-L,,,,,,,,,,,
100.061.903,268-114-5,68003-19-0,Hexadec-1-enedisulphonic acid,"hexadec-1-ene-1,1-disulfonic acid",CCCCCCCCCCCCCCC=C(S(=O)(=O)O)S(=O)(=O)O,CCCCCCCCCCCCCCC=C(S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C16H32O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(23(17,18)19)24(20,21)22/h15H,2-14H2,1H3,(H,17,18,19)(H,20,21,22)",C16H32O6S2,,,,,,TZQIHQAYTNPPNL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.904,268-115-0,68003-28-1,"7,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone","7,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone",O=C1NCCNCCNC(=O)c2ccccc2C(=O)NCCNCCNC(=O)c3ccccc13,O=C1NCCNCCNC(=O)c2ccccc2C(=O)NCCNCCNC(=O)c3ccccc13,"InChI=1/C24H30N6O4/c31-21-17-5-1-2-6-18(17)22(32)28-14-10-26-12-16-30-24(34)20-8-4-3-7-19(20)23(33)29-15-11-25-9-13-27-21/h1-8,25-26H,9-16H2,(H,27,31)(H,28,32)(H,29,33)(H,30,34)",C24H30N6O4,,,,,,IENBGFRUACWIIB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.782,266-881-0,67674-42-4,"Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-yl acetate","2,2,6-trimethyl-6-vinyltetrahydro-2H-pyran-3-yl acetate",CC(=O)OC1CCC(C)(OC1(C)C)C=C,CC(=O)OC1CCC(C)(OC1(C)C)C=C,"InChI=1/C12H20O3/c1-6-12(5)8-7-10(14-9(2)13)11(3,4)15-12/h6,10H,1,7-8H2,2-5H3",C12H20O3,,,,,,IRWLDXUJBJPFNV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.784,266-883-1,67674-44-6,2-(3-methyl-2-butenyl)-1-vinylcyclopentyl acetate,2-(3-methylbut-2-en-1-yl)-1-vinylcyclopentyl acetate,CC(=CCC1CCCC1(OC(=O)C)C=C)C,CC(=CCC1CCCC1(OC(=O)C)C=C)C,"InChI=1/C14H22O2/c1-5-14(16-12(4)15)10-6-7-13(14)9-8-11(2)3/h5,8,13H,1,6-7,9-10H2,2-4H3",C14H22O2,,,,,,URFMDPOQTRBASQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.785,266-884-7,67674-45-7,1-ethyl-2-(3-methylbut-2-enyl)cyclopentan-1-ol,1-ethyl-2-(3-methylbut-2-en-1-yl)cyclopentanol,CCC1(O)CCCC1CC=C(C)C,CCC1(O)CCCC1CC=C(C)C,"InChI=1/C12H22O/c1-4-12(13)9-5-6-11(12)8-7-10(2)3/h7,11,13H,4-6,8-9H2,1-3H3",C12H22O,,,,,,IQMDCJXRLRJIMO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.789,266-888-9,67674-49-1,"7,18-dioxabicyclo[15.1.0]octadecan-8-one","7,18-dioxabicyclo[15.1.0]octadecan-8-one",O=C1CCCCCCCCC2OC2CCCCCO1,O=C1CCCCCCCCC2OC2CCCCCO1,"InChI=1/C16H28O3/c17-16-12-8-4-2-1-3-6-10-14-15(19-14)11-7-5-9-13-18-16/h14-15H,1-13H2",C16H28O3,,,,,,FOHBCHGUDYIMHM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.793,266-893-6,67674-53-7,(phenylmethylidyne)methylammonium hexafluorophosphate,N-(phenylmethylidyne)methanaminium hexafluorophosphate,C[N+]#Cc1ccccc1.F[P-](F)(F)(F)(F)F,C[N+]#Cc1ccccc1.F[P-](F)(F)(F)(F)F,"InChI=1/C8H8N.F6P/c1-9-7-8-5-3-2-4-6-8;1-7(2,3,4,5)6/h2-6H,1H3;/q+1;-1",C8H8N.F6P,,,,,,UOJYZAFGIJCTON-UHFFFAOYSA-N,,,,,,,,,,,
100.060.795,266-895-7,67674-55-9,N-benzylidene-3-(trimethoxysilyl)propylamine,N-benzylidene-3-(trimethoxysilyl)propan-1-amine,CO[Si](OC)(OC)CCCN=Cc1ccccc1,CO[Si](OC)(OC)CCCN=Cc1ccccc1,"InChI=1/C13H21NO3Si/c1-15-18(16-2,17-3)11-7-10-14-12-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3",C13H21NO3Si,,,,,,MDWZOAUWADLKNG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.796,266-896-2,67674-56-0,"N,N-dimethyl-3-(trimethoxysilyl)propylamine hydrochloride","N,N-dimethyl-3-(trimethoxysilyl)propan-1-amine hydrochloride",Cl.CO[Si](CCCN(C)C)(OC)OC,Cl.CO[Si](CCCN(C)C)(OC)OC,"InChI=1/C8H21NO3Si.ClH/c1-9(2)7-6-8-13(10-3,11-4)12-5;/h6-8H2,1-5H3;1H",C8H21NO3Si.ClH,,,,,,DEJRLAVWNDPXGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.797,266-897-8,67674-57-1,N-[3-(triethoxysilyl)propyl]-ß-alanine,N-[3-(triethoxysilyl)propyl]-beta-alanine,CCO[Si](CCCNCCC(=O)O)(OCC)OCC,CCO[Si](CCCNCCC(=O)O)(OCC)OCC,"InChI=1/C12H27NO5Si/c1-4-16-19(17-5-2,18-6-3)11-7-9-13-10-8-12(14)15/h13H,4-11H2,1-3H3,(H,14,15)",C12H27NO5Si,,,,,,MVQOZZBMHPLEMF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.555,260-030-7,56180-94-0,Acarbose,"4,6-dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose",C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@H]4O,C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@H]4O,"InChI=1/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3",C25H43NO18,,,,,,XUFXOAAUWZOOIT-SXARVLRPSA-N,,,,,,,,,,,
100.054.558,260-033-3,56181-65-8,"3-[1,1'-biphenyl]-4-yl-3,4-dihydronaphthalen-1(2H)-one","3-biphenyl-4-yl-3,4-dihydronaphthalen-1(2H)-one",O=C1CC(Cc2ccccc12)c3ccc(cc3)c4ccccc4,O=C1CC(Cc2ccccc12)c3ccc(cc3)c4ccccc4,"InChI=1/C22H18O/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20H,14-15H2",C22H18O,,,,,,AFIAHUCZUURHQW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.571,260-048-5,56195-26-7,"Alpha.-[2,3-dihydro-3-[tetrahydro-1-(3-methoxypropyl)-3-methyl-2,4,6-trioxo-5(2H)-pyrimidinylidene]-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile","1H-benzimidazol-2-yl{3-[1-(3-methoxypropyl)-3-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]-2,3-dihydro-1H-isoindol-1-ylidene}acetonitrile",COCCCN1C(=O)N(C)C(=O)C(=C2NC(=C(C#N)c3nc4ccccc4[nH]3)c5ccccc25)C1=O,COCCCN1C(=O)N(C)C(=O)C(=C2NC(=C(C#N)c3nc4ccccc4[nH]3)c5ccccc25)C1=O,"InChI=1/C26H22N6O4/c1-31-24(33)20(25(34)32(26(31)35)12-7-13-36-2)22-16-9-4-3-8-15(16)21(30-22)17(14-27)23-28-18-10-5-6-11-19(18)29-23/h3-6,8-11,30H,7,12-13H2,1-2H3,(H,28,29)",C26H22N6O4,,,,,,PMQCCXCKSKSGBL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.574,260-051-1,56196-53-3,Ethyl 4-methyloctanoate,ethyl 4-methyloctanoate,CCCCC(C)CCC(=O)OCC,CCCCC(C)CCC(=O)OCC,"InChI=1/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3",C11H22O2,,,,,,GXARNRCIGKRBAP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.577,260-054-8,56207-43-3,"2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carbonitrile","2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carbonitrile",ClC1(Cl)CCCC2(Cl)OC12C#N,ClC1(Cl)CCCC2(Cl)OC12C#N,"InChI=1/C7H6Cl3NO/c8-6(9)2-1-3-7(10)5(6,4-11)12-7/h1-3H2",C7H6Cl3NO,,,,,,VXCVLHHMGCTERU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.578,260-055-3,56207-45-5,"2,2,6,6-tetrachlorocyclohexanol","2,2,6,6-tetrachlorocyclohexanol",OC1C(Cl)(Cl)CCCC1(Cl)Cl,OC1C(Cl)(Cl)CCCC1(Cl)Cl,"InChI=1/C6H8Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h4,11H,1-3H2",C6H8Cl4O,,,,,,RORBTKDJFQCFMD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.580,260-057-4,56207-96-6,"Phthalic acid, monoester with propane-1,2-diol",2-[(2-hydroxy-1-methylethoxy)carbonyl]benzoic acid,CC(CO)OC(=O)c1ccccc1C(=O)O,CC(CO)OC(=O)c1ccccc1C(=O)O,"InChI=1/C11H12O5/c1-7(6-12)16-11(15)9-5-3-2-4-8(9)10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)",C11H12O5,,,,,,HTSZGPUBODALCL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.581,260-059-5,56208-99-2,Bis(2-ethylhexanoato-O)(propan-2-olato)aluminium,aluminum bis(2-ethylhexanoate) propan-2-olate,CCCCC(CC)C(=O)O[Al](OC(C)C)OC(=O)C(CC)CCCC,CCCCC(CC)C(=O)O[Al](OC(C)C)OC(=O)C(CC)CCCC,"InChI=1/2C8H16O2.C3H7O.Al/c2*1-3-5-6-7(4-2)8(9)10;1-3(2)4;/h2*7H,3-6H2,1-2H3,(H,9,10);3H,1-2H3;/q;;-1;+3/p-2/rC19H37AlO5/c1-7-11-13-16(9-3)18(21)24-20(23-15(5)6)25-19(22)17(10-4)14-12-8-2/h15-17H,7-14H2,1-6H3",C19H37AlO5,,,,,,GSQFXVZDKYFRCE-UHFFFAOYSA-L,,,,,,,,,,,
100.054.587,260-065-8,56219-10-4,Ethyl (Z)-hexadec-9-enoate,ethyl hexadec-9-enoate,CCCCCC\\C=C/CCCCCCCC(=O)OCC,CCCCCC\C=C/CCCCCCCC(=O)OCC,"InChI=1/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3",C18H34O2,,,,,,JELGPLUONQGOHF-KTKRTIGZSA-N,,,,,,,,,,,
100.054.589,260-067-9,56219-58-0,4-[(6-bromohexyl)oxy]-3-chloroanisole,1-[(6-bromohexyl)oxy]-2-chloro-4-methoxybenzene,COc1ccc(OCCCCCCBr)c(Cl)c1,COc1ccc(OCCCCCCBr)c(Cl)c1,"InChI=1/C13H18BrClO2/c1-16-11-6-7-13(12(15)10-11)17-9-5-3-2-4-8-14/h6-7,10H,2-5,8-9H2,1H3",C13H18BrClO2,,,,,,UKOSNWUWCKENON-UHFFFAOYSA-N,,,,,,,,,,,
100.047.397,252-152-4,34689-06-0,Octadecyl decanoate,octadecyl decanoate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC,"InChI=1/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h3-27H2,1-2H3",C28H56O2,,,,,,ZKGRELFDBYFQAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.399,252-155-0,34689-87-7,Sodium 3-[2-[(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)ethylidene]pyrrolidin-1-yl]propyl sulphate,"sodium 3-{2-[2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]pyrrolidin-1-yl}propyl sulfate",[Na+].O=C2C(=CC=C1CCCN1CCCOS([O-])(=O)=O)SC(=S)N2CC,[Na+].O=C2C(=CC=C1CCCN1CCCOS([O-])(=O)=O)SC(=S)N2CC,"InChI=1/C14H20N2O5S3.Na/c1-2-16-13(17)12(23-14(16)22)7-6-11-5-3-8-15(11)9-4-10-21-24(18,19)20;/h6-7H,2-5,8-10H2,1H3,(H,18,19,20);/q;+1/p-1",C14H20N2O5S3.Na,,,,,,PLZOUGJAKFQCQV-UHFFFAOYSA-M,,,,,,,,,,,
100.047.412,252-169-7,34722-90-2,"Sodium a-(3-bromo-5-isopropyl-4-oxo-2-methyl-2,5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate","sodium 1-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)-6-[(3-bromo-5-isopropyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]cyclohexa-2,4-diene-1-sulfonate",[Na+].O=S([O-])(=O)C2(/C=C\\C=C/C2C=C1/C=C(/C(C)C)C(=O)C(\\Br)=C1\\C)c3cc(C(C)C)c(O)c(Br)c3C,[Na+].O=S([O-])(=O)C2(/C=C\C=C/C2C=C1/C=C(/C(C)C)C(=O)C(\Br)=C1\C)c3cc(C(C)C)c(O)c(Br)c3C,"InChI=1/C27H30Br2O5S.Na/c1-14(2)20-12-18(16(5)23(28)25(20)30)11-19-9-7-8-10-27(19,35(32,33)34)22-13-21(15(3)4)26(31)24(29)17(22)6;/h7-15,19,31H,1-6H3,(H,32,33,34);/q;+1/p-1",C27H28Br2O5S.Na,,,,,,WEPNQROLCIGIDA-UHFFFAOYSA-M,,,,,,,,,,,
100.059.679,265-666-9,65274-31-9,1-amino-4-[[3-(dimethylamino)propyl]amino]anthraquinone,"1-amino-4-{[3-(dimethylamino)propyl]amino}-9,10-anthraquinone",CN(C)CCCNc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,CN(C)CCCNc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H21N3O2/c1-22(2)11-5-10-21-15-9-8-14(20)16-17(15)19(24)13-7-4-3-6-12(13)18(16)23/h3-4,6-9,21H,5,10-11,20H2,1-2H3",C19H21N3O2,,,,,,HSUXHVCSOLJVDP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.962,268-178-4,68025-19-4,Potassium p-[2-(aminothioxomethyl)hydrazino]benzenesulphonate,potassium 4-(2-carbamothioylhydrazino)benzenesulfonate,[K+].NC(=S)NNc1ccc(cc1)S(=O)(=O)[O-],[K+].NC(=S)NNc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H9N3O3S2.K/c8-7(14)10-9-5-1-3-6(4-2-5)15(11,12)13;/h1-4,9H,(H3,8,10,14)(H,11,12,13);/q;+1/p-1",C7H9N3O3S2.K,,,,,,ZSSVNCUIOBJFPJ-UHFFFAOYSA-M,,,,,,,,,,,
100.061.974,268-192-0,68025-37-6,Bis(tert-butyl)dodecylphenol,"2-(1,1-di-tert-butyldodecyl)phenol",CCCCCCCCCCCC(c1ccccc1O)(C(C)(C)C)C(C)(C)C,CCCCCCCCCCCC(c1ccccc1O)(C(C)(C)C)C(C)(C)C,"InChI=1/C26H46O/c1-8-9-10-11-12-13-14-15-18-21-26(24(2,3)4,25(5,6)7)22-19-16-17-20-23(22)27/h16-17,19-20,27H,8-15,18,21H2,1-7H3",C26H46O,,,,,,DZWJNTZGZJIBNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.982,268-200-2,68025-47-8,N-(2-ammonioethyl)ethylenediammonium tris[tetrafluoroborate(1-)],"N-(2-ammonioethyl)ethane-1,2-diaminium tritetrafluoroborate",[NH3+]CC[NH2+]CC[NH3+].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F,[NH3+]CC[NH2+]CC[NH3+].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/C4H13N3.3BF4/c5-1-3-7-4-2-6;3*2-1(3,4)5/h7H,1-6H2;;;/q;3*-1/p+3",C4H13N3.3BF4.3H,,,,,,XHOUSPSFWKAVCY-UHFFFAOYSA-Q,,,,,,,,,,,
100.061.983,268-201-8,68025-48-9,4-(hexahydro-1H-azepin-1-yl)benzenediazonium trichlorozincate,4-azepan-1-ylbenzenediazonium trichlorozincate(1-),Cl[Zn-](Cl)Cl.N#[N+]c1ccc(cc1)N2CCCCCC2,Cl[Zn-](Cl)Cl.N#[N+]c1ccc(cc1)N2CCCCCC2,"InChI=1/C12H16N3.3ClH.Zn/c13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15;;;;/h5-8H,1-4,9-10H2;3*1H;/q+1;;;;+2/p-3/rC12H16N3.Cl3Zn/c13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15;1-4(2)3/h5-8H,1-4,9-10H2;/q+1;-1",C12H16N3.Cl3Zn,,,,,,VAYACCULIOUJKI-UHFFFAOYSA-K,,,,,,,,,,,
100.061.987,268-206-5,68027-22-5,(2-aminoethyl)guanidine dihydrochloride,1-(2-aminoethyl)guanidine dihydrochloride,Cl.Cl.NCCNC(=N)N,Cl.Cl.NCCNC(=N)N,"InChI=1/C3H10N4.2ClH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H4,5,6,7);2*1H",C3H10N4.2ClH,,,,,,KYJBBNCBVZZHOA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.988,268-207-0,68030-71-7,"4-[(1,3-dioxobutyl)amino]naphthalene-1-sulphonic acid",4-(acetoacetylamino)naphthalene-1-sulfonic acid,CC(=O)CC(=O)Nc1ccc(c2ccccc12)S(=O)(=O)O,CC(=O)CC(=O)Nc1ccc(c2ccccc12)S(=O)(=O)O,"InChI=1/C14H13NO5S/c1-9(16)8-14(17)15-12-6-7-13(21(18,19)20)11-5-3-2-4-10(11)12/h2-7H,8H2,1H3,(H,15,17)(H,18,19,20)",C14H13NO5S,,,,,,PRLIMMHXFBMDPL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.389,262-048-0,60078-97-9,"4,5-dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazole","3-mesityl-1-phenyl-4,5-dihydro-1H-pyrazole",Cc1cc(C)c(C2=NN(CC2)c3ccccc3)c(C)c1,Cc1cc(C)c(C2=NN(CC2)c3ccccc3)c(C)c1,"InChI=1/C18H20N2/c1-13-11-14(2)18(15(3)12-13)17-9-10-20(19-17)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3",C18H20N2,,,,,,BJEAUUFMQKUXAX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.400,262-060-6,60111-52-6,"3-[(dimethylvinylsilyl)oxy]-1,1,3,5,5-pentamethyl-1,5-divinyltrisiloxane","3-{[dimethyl(vinyl)silyl]oxy}-1,1,3,5,5-pentamethyl-1,5-divinyltrisiloxane",C[Si](C)(O[Si](C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C)C=C,C[Si](C)(O[Si](C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C)C=C,"InChI=1/C13H30O3Si4/c1-11-17(4,5)14-20(10,15-18(6,7)12-2)16-19(8,9)13-3/h11-13H,1-3H2,4-10H3",C13H30O3Si4,,,,,,YQPHUWZVHLZEPI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.401,262-061-1,60111-54-8,"3,3-bis[(dimethylvinylsilyl)oxy]-1,1,5,5-tetramethyl-1,5-divinyltrisiloxane",tetrakis[dimethyl(vinyl)silyl] orthosilicate,C[Si](C)(O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C)C=C,C[Si](C)(O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C)C=C,"InChI=1/C16H36O4Si5/c1-13-21(5,6)17-25(18-22(7,8)14-2,19-23(9,10)15-3)20-24(11,12)16-4/h13-16H,1-4H2,5-12H3",C16H36O4Si5,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10348,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.401,JMTMWSZLPHDWBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.405,262-065-3,60116-77-0,2-(tert-butylthio)ethylammonium chloride,2-(tert-butylsulfanyl)ethanaminium chloride,[Cl-].CC(C)(C)SCC[NH3+],[Cl-].CC(C)(C)SCC[NH3+],"InChI=1/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H",C6H15NS.ClH,,,,,,YJAKJFWAOKKUJK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.408,262-069-5,60126-36-5,3-ethyl-2-methylbenzoxazolium p-toluenesulphonate,"3-ethyl-2-methyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",CC[n+]1c(C)oc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[n+]1c(C)oc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C10H12NO.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C10H12NO.C7H7O3S,,,,,,VUQSSSLPKYLMFL-UHFFFAOYSA-M,,,,,,,,,,,
100.056.410,262-071-6,60129-67-1,"2,2'-[[4-[(2,4-dinitrophenyl)azo]phenyl]imino]bisethanol","2,2'-({4-[(2,4-dinitrophenyl)diazenyl]phenyl}imino)diethanol",OCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)cc2,OCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)cc2,"InChI=1/C16H17N5O6/c22-9-7-19(8-10-23)13-3-1-12(2-4-13)17-18-15-6-5-14(20(24)25)11-16(15)21(26)27/h1-6,11,22-23H,7-10H2",C16H17N5O6,,,,,,SHWMLKYICHRJFM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.155,255-189-4,41051-18-7,Ethyl 3-oxo-4-phenoxybutyrate,ethyl 3-oxo-4-phenoxybutanoate,CCOC(=O)CC(=O)COc1ccccc1,CCOC(=O)CC(=O)COc1ccccc1,"InChI=1/C12H14O4/c1-2-15-12(14)8-10(13)9-16-11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3",C12H14O4,,,,,,SEZPICVFXSJZBS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.937,257-150-7,51356-54-8,2-[(dimethylamino)(3-methoxyphenyl)methyl]cyclohexan-1-ol,2-[(dimethylamino)(3-methoxyphenyl)methyl]cyclohexanol,COc1cccc(c1)C(C2CCCCC2O)N(C)C,COc1cccc(c1)C(C2CCCCC2O)N(C)C,"InChI=1/C16H25NO2/c1-17(2)16(14-9-4-5-10-15(14)18)12-7-6-8-13(11-12)19-3/h6-8,11,14-16,18H,4-5,9-10H2,1-3H3",C16H25NO2,,,,,,YGRVVAVXEZIIDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.939,257-152-8,51360-63-5,Icosanamide,icosanamide,CCCCCCCCCCCCCCCCCCCC(=O)N,CCCCCCCCCCCCCCCCCCCC(=O)N,"InChI=1/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H2,21,22)",C20H41NO,,,,,,OOCSVLHOTKHEFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.942,257-155-4,51367-69-2,4-isopropyl-a-methylcyclohexanepropionaldehyde,3-(4-isopropylcyclohexyl)-2-methylpropanal,CC(C)C1CCC(CC(C)C=O)CC1,CC(C)C1CCC(CC(C)C=O)CC1,"InChI=1/C13H24O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h9-13H,4-8H2,1-3H3",C13H24O,,,,,,ZVPQMVSVAYSBAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.944,257-158-0,51368-55-9,Isopropyl 2-bromo-2-methylpropionate,isopropyl 2-bromo-2-methylpropanoate,CC(C)OC(=O)C(C)(C)Br,CC(C)OC(=O)C(C)(C)Br,"InChI=1/C7H13BrO2/c1-5(2)10-6(9)7(3,4)8/h5H,1-4H3",C7H13BrO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7262,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.944,UNZJYKKJZGIFCG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.961,257-176-9,51407-18-2,"Oxalic acid, scandium salt",-,[Sc+3].[O-]C(=O)C(=O)[O-],[Sc+3].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Sc/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+3/p-2",C2H2O4.xSc,,,,,,AUHRNIUUUFYZNI-UHFFFAOYSA-L,,,,,,,,,,,
100.051.962,257-177-4,51407-20-6,"(±)-(1a,2ß,5ß)-5-(isopropyl)-2-methylcyclohexyl acetate",5-isopropyl-2-methylcyclohexyl acetate,CC(C)C1CCC(C)C(C1)OC(=O)C,CC(C)C1CCC(C)C(C1)OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,JAKFDYGDDRCJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.901,253-810-3,38176-02-2,"(+)-[3-cyano-3-(3,4-dimethoxyphenyl)hex-6-yl](5,6-dimethoxyphenethyl)methylammonium chloride","4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethoxyphenyl)ethyl]-N-methylhexan-1-aminium chloride",[Cl-].CCC(CCC[NH+](C)CCc1cccc(OC)c1OC)(C#N)c2ccc(OC)c(OC)c2,[Cl-].CCC(CCC[NH+](C)CCc1cccc(OC)c1OC)(C#N)c2ccc(OC)c(OC)c2,"InChI=1/C26H36N2O4.ClH/c1-7-26(19-27,21-12-13-22(29-3)24(18-21)31-5)15-9-16-28(2)17-14-20-10-8-11-23(30-4)25(20)32-6;/h8,10-13,18H,7,9,14-17H2,1-6H3;1H",C27H38N2O4.ClH,,,,,,YYIRVTIFFHGIJD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.905,253-815-0,38184-47-3,"3,5-dimethyl-1H-pyrazole-1-carboxamidine mononitrate","3,5-dimethyl-1H-pyrazole-1-carboximidamide nitrate",Cc1cc(C)n(n1)C(=N)N.O[N+](=O)[O-],Cc1cc(C)n(n1)C(=N)N.O[N+](=O)[O-],"InChI=1/C6H10N4.HNO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);(H,2,3,4)",C6H10N4.HNO3,,,,,,AGYXIUAGBLMBGV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.906,253-816-6,38185-06-7,"Potassium 4-chloro-3,5-dinitrobenzenesulphonate","potassium 4-chloro-3,5-dinitrobenzenesulfonate",[K+].[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])S(=O)(=O)[O-],[K+].[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H3ClN2O7S.K/c7-6-4(8(10)11)1-3(17(14,15)16)2-5(6)9(12)13;/h1-2H,(H,14,15,16);/q;+1/p-1",C6H3ClN2O7S.K,,,,,,SOKIKHRZBYSIFN-UHFFFAOYSA-M,,,,,,,,,,,
100.048.908,253-818-7,38192-14-2,Bis(m-chlorobenzo)hydrazide,3-chloro-N'-(3-chlorobenzoyl)benzohydrazide,Clc1cccc(c1)C(=O)NNC(=O)c2cccc(Cl)c2,Clc1cccc(c1)C(=O)NNC(=O)c2cccc(Cl)c2,"InChI=1/C14H10Cl2N2O2/c15-11-5-1-3-9(7-11)13(19)17-18-14(20)10-4-2-6-12(16)8-10/h1-8H,(H,17,19)(H,18,20)",C14H10Cl2N2O2,,,,,,SHOGETHEQFLESV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.914,253-825-5,38202-27-6,Ethyl O-methylsulphonylacetohydroxamate,ethyl N-[(mesitylsulfonyl)oxy]ethanimidoate,CCOC(=NOS(=O)(=O)c1c(C)cc(C)cc1C)C,CCOC(=NOS(=O)(=O)c1c(C)cc(C)cc1C)C,"InChI=1/C13H19NO4S/c1-6-17-12(5)14-18-19(15,16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3",C13H19NO4S,,,,,,KQCBSWBQAXTILK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.918,253-829-7,38212-30-5,1-(4-methoxyphenyl)piperazine,1-(4-methoxyphenyl)piperazine,COc1ccc(cc1)N2CCNCC2,COc1ccc(cc1)N2CCNCC2,"InChI=1/C11H16N2O/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",C11H16N2O,,,,,,MRDGZSKYFPGAKP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.923,253-834-4,38222-83-2,"2,6-di-tert-butyl-4-methylpyridine","2,6-di-tert-butyl-4-methylpyridine",Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C,Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3",C14H23N,,,,,,HVHZEKKZMFRULH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.927,253-839-1,38228-21-6,"[(6-amino-1,3,5-triazine-2,4-diyl)dinitrilo]tetrakismethanol","[(6-amino-1,3,5-triazine-2,4-diyl)dinitrilo]tetramethanol",Nc1nc(nc(n1)N(CO)CO)N(CO)CO,Nc1nc(nc(n1)N(CO)CO)N(CO)CO,"InChI=1/C7H14N6O4/c8-5-9-6(12(1-14)2-15)11-7(10-5)13(3-16)4-17/h14-17H,1-4H2,(H2,8,9,10,11)",C7H14N6O4,,,,,,WEAJVJTWVRAPED-UHFFFAOYSA-N,,,,,,,,,,,
100.048.936,253-849-6,38250-04-3,N-benzoyl-3-hydroxy-DL-tyrosine,N-benzoyl-3-hydroxytyrosine,OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c2ccccc2,OC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c2ccccc2,"InChI=1/C16H15NO5/c18-13-7-6-10(9-14(13)19)8-12(16(21)22)17-15(20)11-4-2-1-3-5-11/h1-7,9,12,18-19H,8H2,(H,17,20)(H,21,22)",C16H15NO5,,,,,,WGTPJOPXQRPTDE-LBPRGKRZSA-N,,,,,,,,,,,
100.060.798,266-898-3,67674-58-2,N-[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]lauramide monohydrochloride,N-(2-{[3-(trimethoxysilyl)propyl]amino}ethyl)dodecanamide hydrochloride,Cl.CCCCCCCCCCCC(=O)NCCNCCC[Si](OC)(OC)OC,Cl.CCCCCCCCCCCC(=O)NCCNCCC[Si](OC)(OC)OC,"InChI=1/C20H44N2O4Si.ClH/c1-5-6-7-8-9-10-11-12-13-15-20(23)22-18-17-21-16-14-19-27(24-2,25-3)26-4;/h21H,5-19H2,1-4H3,(H,22,23);1H",C20H44N2O4Si.ClH,,,,,,PVNHWQFFHAUMIB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.800,266-900-2,67674-60-6,N-(1-phenylethylidene)-3-(triethoxysilyl)propylamine,N-(1-phenylethylidene)-3-(triethoxysilyl)propan-1-amine,CCO[Si](OCC)(OCC)CCCN=C(C)c1ccccc1,CCO[Si](OCC)(OCC)CCCN=C(C)c1ccccc1,"InChI=1/C17H29NO3Si/c1-5-19-22(20-6-2,21-7-3)15-11-14-18-16(4)17-12-9-8-10-13-17/h8-10,12-13H,5-7,11,14-15H2,1-4H3",C17H29NO3Si,,,,,,CGXGBCIINMEAQW-UHFFFAOYSA-N,,,,,,,,,,,
100.060.801,266-901-8,67681-66-7,Allyldimethoxymethylsilane,"(1,1-dimethoxybut-3-en-1-yl)silane",COC([SiH3])(CC=C)OC,COC([SiH3])(CC=C)OC,"InChI=1/C6H14O2Si/c1-4-5-6(9,7-2)8-3/h4H,1,5H2,2-3,9H3",C6H14O2Si,,,,,,RNEYKTOOYCMFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.809,266-910-7,67697-31-8,2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]terephthalic acid,2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]terephthalic acid,CCn1c(C)c(C(=O)c2cc(ccc2C(=O)O)C(=O)O)c3ccccc13,CCn1c(C)c(C(=O)c2cc(ccc2C(=O)O)C(=O)O)c3ccccc13,"InChI=1/C20H17NO5/c1-3-21-11(2)17(14-6-4-5-7-16(14)21)18(22)15-10-12(19(23)24)8-9-13(15)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)",C20H17NO5,,,,,,ZXJGBGUTCPMOCU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.811,266-912-8,67697-46-5,3-(diphenylamino)-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide,3-(diphenylamino)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one,CCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)N(c5ccccc5)c6ccccc6,CCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)N(c5ccccc5)c6ccccc6,"InChI=1/C31H26N2O2/c1-3-32-22(2)29(26-19-11-13-21-28(26)32)31(27-20-12-10-18-25(27)30(34)35-31)33(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-21H,3H2,1-2H3",C31H26N2O2,,,,,,KVDCSHMOMPLXEU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.815,266-917-5,67699-50-7,"1,1',1'',1'''-(ethylenedinitrilo)tetrakis(3-chloropropan-2-ol)",1-[{2-[bis(3-chloro-2-hydroxypropyl)amino]ethyl}(3-chloro-2-hydroxypropyl)amino]-3-chloropropan-2-ol (non-preferred name),OC(CCl)CN(CCN(CC(O)CCl)CC(O)CCl)CC(O)CCl,OC(CCl)CN(CCN(CC(O)CCl)CC(O)CCl)CC(O)CCl,"InChI=1/C14H28Cl4N2O4/c15-3-11(21)7-19(8-12(22)4-16)1-2-20(9-13(23)5-17)10-14(24)6-18/h11-14,21-24H,1-10H2",C14H28Cl4N2O4,,,,,,QKLFTYLXUUYZMM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.064,261-690-9,59303-07-0,2-furfurylthio-3-methylpyrazine,2-[(2-furylmethyl)sulfanyl]-3-methylpyrazine,Cc1nccnc1SCc2occc2,Cc1nccnc1SCc2occc2,"InChI=1/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3",C10H10N2OS,,,,,,PFRSWMCUERVSAT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.065,261-691-4,59307-49-2,Sodium [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-),sodium [1-{[2-(hydroxy-kappaO)-5-nitrophenyl]diazenyl}-2-naphtholato(2-)-kappaO]{1-[(2-hydroxy-5-nitrophenyl)diazenyl]-2-naphtholato(2-)-kappaO}chromate(1-),[Na]Oc1ccc(cc1N=Nc2c(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)N(=O)=O)ccc7ccccc27)N(=O)=O,[Na]Oc1ccc(cc1N=Nc2c(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)N(=O)=O)ccc7ccccc27)N(=O)=O,"InChI=1/2C16H11N3O4.Cr.Na/c2*20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;+3;+1/p-4/rC32H19CrN6O8.Na/c40-27-13-11-21(38(41)42)17-25(27)34-36-31-23-7-3-1-5-19(23)9-14-29(31)46-33-45-28-16-12-22(39(43)44)18-26(28)35-37-32-24-8-4-2-6-20(24)10-15-30(32)47-33;/h1-18,40H;/q;+1/p-1",C32H18CrN6O8.Na,,,,,,MRNWMCMUBTXAIQ-UHFFFAOYSA-J,,,,,,,,,,,
100.056.066,261-693-5,59312-61-7,"1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile","3-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]phenyl benzenesulfonate",O=C3C(/C#N)=C(/C)\\C(\\N=Nc2cccc(OS(=O)(=O)c1ccccc1)c2)=C(\\O)N3C,O=C3C(/C#N)=C(/C)\C(\N=Nc2cccc(OS(=O)(=O)c1ccccc1)c2)=C(\O)N3C,"InChI=1/C20H16N4O5S/c1-13-17(12-21)19(25)24(2)20(26)18(13)23-22-14-7-6-8-15(11-14)29-30(27,28)16-9-4-3-5-10-16/h3-11,26H,1-2H3",C20H16N4O5S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18609,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.066,BDXBNMODQSESLA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.070,261-697-7,59315-47-8,6-aminopyridin-2-ol,6-aminopyridin-2-ol,Nc1cccc(O)n1,Nc1cccc(O)n1,"InChI=1/C5H6N2O/c6-4-2-1-3-5(8)7-4/h1-3H,(H3,6,7,8)",C5H6N2O,,,,,,DMIHQARPYPNHJD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.075,261-702-2,59333-65-2,"1,1'-methylenebis[4-(2,3-epoxypropoxy)cyclohexane]","2,2'-[methylenebis(cyclohexane-4,1-diyloxymethylene)]dioxirane",C(OC1CCC(CC2CCC(CC2)OCC3CO3)CC1)C4CO4,C(OC1CCC(CC2CCC(CC2)OCC3CO3)CC1)C4CO4,"InChI=1/C19H32O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h14-19H,1-13H2",C19H32O4,,,,,,GFSFMWIMDVXLEA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.083,261-711-1,59340-47-5,Dimethyl 4-iodophthalate,dimethyl 4-iodophthalate,COC(=O)c1ccc(I)cc1C(=O)OC,COC(=O)c1ccc(I)cc1C(=O)OC,"InChI=1/C10H9IO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3",C10H9IO4,,,,,,JVLGGEVUYARXHI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.086,261-714-8,59352-90-8,"5-bromo-6-methylpyridine-2,3-diamine","5-bromo-6-methylpyridine-2,3-diamine",Cc1nc(N)c(N)cc1Br,Cc1nc(N)c(N)cc1Br,"InChI=1/C6H8BrN3/c1-3-4(7)2-5(8)6(9)10-3/h2H,8H2,1H3,(H2,9,10)",C6H8BrN3,,,,,,XFHAYQGHHKCVBA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.423,252-181-2,34743-88-9,2-(p-bromophenoxy)ethanol,2-(4-bromophenoxy)ethanol,OCCOc1ccc(Br)cc1,OCCOc1ccc(Br)cc1,"InChI=1/C8H9BrO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2",C8H9BrO2,,,,,,QYIOGYCRGNHDNK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.428,252-187-5,34751-43-4,"1,1'-hexamethylenebis(pyrrolidin-2-one)","1,1'-hexane-1,6-diyldipyrrolidin-2-one",O=C1CCCN1CCCCCCN2CCCC2=O,O=C1CCCN1CCCCCCN2CCCC2=O,InChI=1/C14H24N2O2/c17-13-7-5-11-15(13)9-3-1-2-4-10-16-12-6-8-14(16)18/h1-12H2,C14H24N2O2,,,,,,CGJZPGDXEGFRAL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.430,252-189-6,34755-88-9,2-methyl-N-(2-thienylmethylene)propylamine,2-methyl-N-(2-thienylmethylene)propan-1-amine,CC(C)CN=Cc1cccs1,CC(C)CN=Cc1cccs1,"InChI=1/C9H13NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3",C9H13NS,,,,,,ZIASKGNEMKVMNA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.432,252-191-7,34758-83-3,Zipeprol,1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol,COC(CN1CCN(CC(O)C(OC)c2ccccc2)CC1)c3ccccc3,COC(CN1CCN(CC(O)C(OC)c2ccccc2)CC1)c3ccccc3,"InChI=1/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3",C23H32N2O3,,,,,,VSTNNAYSCJQCQI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.436,252-195-9,34760-49-1,"N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N-methylnicotinamide","N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methylnicotinamide",O=C(c1cccnc1)N(C)C=3C(=O)N(c2ccccc2)N(C)C=3C,O=C(c1cccnc1)N(C)C=3C(=O)N(c2ccccc2)N(C)C=3C,"InChI=1/C18H18N4O2/c1-13-16(20(2)17(23)14-8-7-11-19-12-14)18(24)22(21(13)3)15-9-5-4-6-10-15/h4-12H,1-3H3",C18H18N4O2,,,,,,GCIGZRAXWDUHRE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.437,252-196-4,34760-60-6,L-cystine hydrochloride,L-cystine hydrochloride,Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,"InChI=1/C6H12N2O4S2.ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);1H",C6H12N2O4S2.xClH,,,,,,IOCJWNPYGRVHLN-MMALYQPHSA-N,,,,,,,,,,,
100.058.268,264-114-4,63373-82-0,"(1S-endo)-3,3-dimethylbicyclo[2.2.1]heptane-2-methanol","(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methanol",CC1(C)C2CC[C@@H](C2)C1CO,CC1(C)C2CC[C@@H](C2)C1CO,"InChI=1/C10H18O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,GICBKEFIACFATK-UEJVZZJDSA-N,,,,,,,,,,,
100.058.281,264-129-6,63405-85-6,Sodium 3-[[3-methoxy-4-[(4-methoxyphenyl)azo]phenyl]azo]benzenesulphonate,sodium 3-({3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl}diazenyl)benzenesulfonate,[Na+].COc2cc(ccc2N=Nc1ccc(OC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,[Na+].COc2cc(ccc2N=Nc1ccc(OC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,"InChI=1/C20H18N4O5S.Na/c1-28-17-9-6-14(7-10-17)21-24-19-11-8-16(13-20(19)29-2)23-22-15-4-3-5-18(12-15)30(25,26)27;/h3-13H,1-2H3,(H,25,26,27);/q;+1/p-1",C20H18N4O5S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16920,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.281,JGUAUYIJLLJIQS-UHFFFAOYSA-M,,,,,,,,,,,
100.058.293,264-142-7,63430-57-9,"6'-[ethyl(p-tolyl)amino]-3'-methyl-2'-[(p-tolyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-[(4-methylphenyl)amino]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(c1ccc(C)cc1)c2ccc3c(Oc4cc(C)c(Nc5ccc(C)cc5)cc4C36OC(=O)c7ccccc67)c2,CCN(c1ccc(C)cc1)c2ccc3c(Oc4cc(C)c(Nc5ccc(C)cc5)cc4C36OC(=O)c7ccccc67)c2,"InChI=1/C37H32N2O3/c1-5-39(27-16-12-24(3)13-17-27)28-18-19-31-35(21-28)41-34-20-25(4)33(38-26-14-10-23(2)11-15-26)22-32(34)37(31)30-9-7-6-8-29(30)36(40)42-37/h6-22,38H,5H2,1-4H3",C37H32N2O3,,,,,,NBGXBMYIFVBGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.294,264-143-2,63438-53-9,"(S)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide","N,N-dimethyl-5-oxo-L-prolinamide",CN(C)C(=O)[C@@H]1CCC(=O)N1,CN(C)C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C7H12N2O2/c1-9(2)7(11)5-3-4-6(10)8-5/h5H,3-4H2,1-2H3,(H,8,10)",C7H12N2O2,,,,,,XANBEQKZEYIHTQ-YFKPBYRVSA-N,,,,,,,,,,,
100.058.297,264-146-9,63441-08-7,"1,1'-oxybis(2,4,6-trinitrobenzene)","1,1'-oxybis(2,4,6-trinitrobenzene)",[O-][N+](=O)c1cc(c(Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C12H4N6O13/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H,C12H4N6O13,,,,,,FMGQOJATXJFNGA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.298,264-147-4,63441-26-9,"(Z,Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]-9-octadecenamide","N-[2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]octadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCN1CC\\N=C1\\CCCCCCCC=CCCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC,"InChI=1/C40H75N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3,(H,42,44)",C40H75N3O,,,,,,VASZKKUIFVKZER-FKVHLOHMSA-N,,,,,,,,,,,
100.058.309,264-160-5,63449-89-8,"4,4,6-trimethyl-2-pentyl-1,3-dioxane","4,4,6-trimethyl-2-pentyl-1,3-dioxane",CCCCCC1OC(C)CC(C)(C)O1,CCCCCC1OC(C)CC(C)(C)O1,"InChI=1/C12H24O2/c1-5-6-7-8-11-13-10(2)9-12(3,4)14-11/h10-11H,5-9H2,1-4H3",C12H24O2,,,,,,PDQBOBGVXLUMTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.411,262-072-1,60130-68-9,"2,2-bis(hydroxymethyl)butyl stearate","2,2-bis(hydroxymethyl)butyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C24H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-24(4-2,20-25)21-26/h25-26H,3-22H2,1-2H3",C24H48O4,,,,,,WZUNUACWCJJERC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.413,262-074-2,60135-22-0,Flumoxonide,"6b-(dimethoxyacetyl)-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",COC(OC)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,COC(OC)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C,"InChI=1/C26H34F2O7/c1-22(2)34-19-11-14-15-10-17(27)16-9-13(29)7-8-23(16,3)25(15,28)18(30)12-24(14,4)26(19,35-22)20(31)21(32-5)33-6/h7-9,14-15,17-19,21,30H,10-12H2,1-6H3",C26H34F2O7,,,,,,IUIYEHXOIMMQJY-NGXOUOCZSA-N,,,,,,,,,,,
100.057.764,263-560-7,62476-59-9,Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate,sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate,[Na+].[O-]C(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],[Na+].[O-]C(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],"InChI=1/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1",C14H7ClF3NO5.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7594,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.764,RVULBHWZFCBODE-UHFFFAOYSA-M,,,,,,,,,,,
100.057.769,263-565-4,62476-84-0,"N,N'''-propane-1,3-diylbis(guanidine)","N,N'''-propane-1,3-diyldiguanidine",NC(=N)NCCCNC(=N)N,NC(=N)NCCCNC(=N)N,"InChI=1/C5H14N6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2,(H4,6,7,10)(H4,8,9,11)",C5H14N6,,,,,,MSPDCJMYQNYOSY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.775,263-572-2,62493-32-7,(Z)-dec-1-enyldioctylaluminium,dec-1-en-1-yl(dioctyl)aluminum,CCCCCCCC\\C=C/[Al](CCCCCCCC)CCCCCCCC,CCCCCCCC\C=C/[Al](CCCCCCCC)CCCCCCCC,"InChI=1/C10H19.2C8H17.Al/c1-3-5-7-9-10-8-6-4-2;2*1-3-5-7-8-6-4-2;/h1,3H,4-10H2,2H3;2*1,3-8H2,2H3;/rC26H53Al/c1-4-7-10-13-16-17-20-23-26-27(24-21-18-14-11-8-5-2)25-22-19-15-12-9-6-3/h23,26H,4-22,24-25H2,1-3H3",C26H53Al,,,,,,UWJGEOKDDWFZCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.782,263-580-6,62518-65-4,3-(m-tert-butylphenyl)-2-methylpropionaldehyde,3-(3-tert-butylphenyl)-2-methylpropanal,CC(Cc1cccc(c1)C(C)(C)C)C=O,CC(Cc1cccc(c1)C(C)(C)C)C=O,"InChI=1/C14H20O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9-11H,8H2,1-4H3",C14H20O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10357,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.782,GLZRHVTZLDNUQP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.794,263-593-7,62554-97-6,"2,2'-[1,2-ethanediylbis(iminocarbonyl)]bisbenzoic acid","2,2'-(ethane-1,2-diyldicarbamoyl)dibenzoic acid",OC(=O)c1ccccc1C(=O)NCCNC(=O)c2ccccc2C(=O)O,OC(=O)c1ccccc1C(=O)NCCNC(=O)c2ccccc2C(=O)O,"InChI=1/C18H16N2O6/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)",C18H16N2O6,,,,,,VDGWBERLBOLCGW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.694,265-683-1,65294-13-5,"Tridecyl dihydrogen phosphate, compound with N,N-dimethylcyclohexylamine (1:1)","tridecyl dihydrogen phosphate - N,N-dimethylcyclohexanamine (1:1)",CN(C)C1CCCCC1.OP(=O)(O)OCCCCCCCCCCCCC,CN(C)C1CCCCC1.OP(=O)(O)OCCCCCCCCCCCCC,"InChI=1/C13H29O4P.C8H17N/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;1-9(2)8-6-4-3-5-7-8/h2-13H2,1H3,(H2,14,15,16);8H,3-7H2,1-2H3",C13H29O4P.C8H17N,,,,,,LPISHKVJKLLTGW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.699,265-688-9,65301-38-4,"Dodecyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate","dodecyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosan-1-oate",CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,"InChI=1/2C14H28O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*17H,2-13H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC52H104O4S2Sn/c1-5-9-13-17-21-25-29-33-37-41-45-55-51(53)49-57-59(47-43-39-35-31-27-23-19-15-11-7-3,48-44-40-36-32-28-24-20-16-12-8-4)58-50-52(54)56-46-42-38-34-30-26-22-18-14-10-6-2/h5-50H2,1-4H3",C52H104O4S2Sn,,,,,,RCSXDSFZCXFKPY-UHFFFAOYSA-L,,,,,,,,,,,
100.059.700,265-689-4,65307-72-4,Decyl-N-(8-quinolyl)-p-toluenesulphonamide,2-decyl-4-methyl-N-quinolin-8-ylbenzenesulfonamide,CCCCCCCCCCc1cc(C)ccc1S(=O)(=O)Nc2cccc3cccnc23,CCCCCCCCCCc1cc(C)ccc1S(=O)(=O)Nc2cccc3cccnc23,"InChI=1/C26H34N2O2S/c1-3-4-5-6-7-8-9-10-13-23-20-21(2)17-18-25(23)31(29,30)28-24-16-11-14-22-15-12-19-27-26(22)24/h11-12,14-20,28H,3-10,13H2,1-2H3",C26H34N2O2S,,,,,,BHTRHIZWYGPNBA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.729,265-721-7,65379-23-9,Dipotassium 2-phenoxyethyl phosphate,dipotassium 2-phenoxyethyl phosphate,[K+].[K+].[O-]P(=O)([O-])OCCOc1ccccc1,[K+].[K+].[O-]P(=O)([O-])OCCOc1ccccc1,"InChI=1/C8H11O5P.2K/c9-14(10,11)13-7-6-12-8-4-2-1-3-5-8;;/h1-5H,6-7H2,(H2,9,10,11);;/q;2*+1/p-2",C8H11O5P.2K,,,,,,MPRREXQEDRAEKG-UHFFFAOYSA-L,,,,,,,,,,,
100.055.875,261-482-8,58882-17-0,Ethyl 4-[bis(2-hydroxypropyl)amino]benzoate,ethyl 4-[bis(2-hydroxypropyl)amino]benzoate,CCOC(=O)c1ccc(cc1)N(CC(C)O)CC(C)O,CCOC(=O)c1ccc(cc1)N(CC(C)O)CC(C)O,"InChI=1/C15H23NO4/c1-4-20-15(19)13-5-7-14(8-6-13)16(9-11(2)17)10-12(3)18/h5-8,11-12,17-18H,4,9-10H2,1-3H3",C15H23NO4,,,,,,CBZHHQOZZQEZNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.885,261-493-8,58911-02-7,"2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride","2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride",Cl.C1Cc2c(CN1)[nH]c3ccccc23,Cl.C1Cc2c(CN1)[nH]c3ccccc23,"InChI=1/C11H12N2.ClH/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h1-4,12-13H,5-7H2;1H",C11H12N2.ClH,,,,,,PHLJRXUBLWEPCM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.254,257-497-4,51889-17-9,"1-amino-5-[(2,4-dibromophenyl)amino]-4,8-dihydroxyanthraquinone","1-amino-5-[(2,4-dibromophenyl)amino]-4,8-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(Nc4ccc(Br)cc4Br)ccc(O)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(Nc4ccc(Br)cc4Br)ccc(O)c3C(=O)c12,"InChI=1/C20H12Br2N2O4/c21-8-1-3-11(9(22)7-8)24-12-4-6-14(26)18-16(12)20(28)17-13(25)5-2-10(23)15(17)19(18)27/h1-7,24-26H,23H2",C20H12Br2N2O4,,,,,,ROMDDSWHQOFEBB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.257,257-501-4,51898-34-1,"[2R*(4R*,8R*)]-(±)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl nicotinate",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1,"InChI=1/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3",C35H53NO3,,,,,,MSCCTZZBYHQMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.261,257-506-1,51901-33-8,"1,2-Ethanediol, acetate",2-hydroxyethyl acetate,CC(=O)OCCO,CC(=O)OCCO,"InChI=1/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3",-,,,,,,HXDLWJWIAHWIKI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.262,257-507-7,51904-91-7,5-chlorosulphonyl-2-anisic acid,5-(chlorosulfonyl)-2-methoxybenzoic acid,COc1ccc(cc1C(=O)O)S(=O)(=O)Cl,COc1ccc(cc1C(=O)O)S(=O)(=O)Cl,"InChI=1/C8H7ClO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)",C8H7ClO5S,,,,,,OUBZCDOQEMLMAB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.264,257-509-8,51911-82-1,"4,8-dimethylnona-1,3,7-triene","4,8-dimethylnona-1,3,7-triene",C=CC=C(C)CC\\C=C(\\C)C,C=CC=C(C)CC\C=C(\C)C,"InChI=1/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3",C11H18,,,,,,LUKZREJJLWEWQM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.266,257-511-9,51918-83-3,4-(p-tolyl)butanol,4-(4-methylphenyl)butan-1-ol,Cc1ccc(CCCCO)cc1,Cc1ccc(CCCCO)cc1,"InChI=1/C11H16O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h5-8,12H,2-4,9H2,1H3",C11H16O,,,,,,MUQMCEBEBSCGLB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.272,257-518-7,51929-92-1,"4-(3-heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid","4-(3-heptadecyl-4-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1C)c2ccc(cc2)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1C)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C27H44N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23(2)27(30)29(28-26)24-19-21-25(22-20-24)34(31,32)33/h19-23H,3-18H2,1-2H3,(H,31,32,33)",C27H44N2O4S,,,,,,FYPRBIXLZLEHLW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.273,257-519-2,51931-01-2,"N,N,N-trimethylanilinium toluene-p-sulphonate","N,N,N-trimethylanilinium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].C[N+](C)(C)c2ccccc2,Cc1ccc(cc1)S(=O)(=O)[O-].C[N+](C)(C)c2ccccc2,"InChI=1/C9H14N.C7H8O3S/c1-10(2,3)9-7-5-4-6-8-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C9H14N.C7H7O3S,,,,,,LNYAMYWNIGXAOL-UHFFFAOYSA-M,,,,,,,,,,,
100.052.277,257-523-4,51932-77-5,"2,5-diethyl-3,4-diphenylcyclopenta-2,4-dien-1-one","2,5-diethyl-3,4-diphenylcyclopenta-2,4-dien-1-one",CCC1=C(C(=C(CC)C1=O)c2ccccc2)c3ccccc3,CCC1=C(C(=C(CC)C1=O)c2ccccc2)c3ccccc3,"InChI=1/C21H20O/c1-3-17-19(15-11-7-5-8-12-15)20(18(4-2)21(17)22)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3",C21H20O,,,,,,MTZCOHPDBKHNON-UHFFFAOYSA-N,,,,,,,,,,,
100.052.278,257-525-5,51934-66-8,"Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-ß-alaninate","methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate",COC(=O)CCN(C(=O)c1c(I)cc(I)c(N)c1I)c2ccccc2,COC(=O)CCN(C(=O)c1c(I)cc(I)c(N)c1I)c2ccccc2,"InChI=1/C17H15I3N2O3/c1-25-13(23)7-8-22(10-5-3-2-4-6-10)17(24)14-11(18)9-12(19)16(21)15(14)20/h2-6,9H,7-8,21H2,1H3",C17H15I3N2O3,,,,,,FXFJGDGAESIFGG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.290,257-538-6,51947-19-4,"p-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl]oxy]benzenesulphonyl chloride","4-{[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-en-1-yl]oxy}benzenesulfonyl chloride",FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S(Cl)(=O)=O)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S(Cl)(=O)=O)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C16H4ClF19O3S/c17-40(37,38)6-3-1-5(2-4-6)39-8(11(21,22)23)7(10(18,19)20)9(14(28,29)30,12(24,25)15(31,32)33)13(26,27)16(34,35)36/h1-4H",C16H4ClF19O3S,,,,,,VOEFEIDNANPLSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.295,257-543-3,51952-23-9,"1-butyl-2,8,9-trioxa-5-aza-1-stannabicyclo[3.3.3]undecane","1-butyl-2,8,9-trioxa-5-aza-1-stannabicyclo[3.3.3]undecane",CCCC[Sn]12OCCN(CCO1)CCO2,CCCC[Sn]12OCCN(CCO1)CCO2,"InChI=1/C6H12NO3.C4H9.Sn/c8-4-1-7(2-5-9)3-6-10;1-3-4-2;/h1-6H2;1,3-4H2,2H3;/q-3;;+3/rC10H21NO3Sn/c1-2-3-10-15-12-7-4-11(5-8-13-15)6-9-14-15/h2-10H2,1H3",C10H21NO3Sn,,,,,,KKTDQQOREFWRBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.090,261-719-5,59365-30-9,"4-[([1,1'-biphenyl]-4-yloxy)methyl]-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane","4-[(biphenyl-4-yloxy)methyl]-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane",Clc1ccc(c(Cl)c1)C2(CBr)OCC(COc3ccc(cc3)c4ccccc4)O2,Clc1ccc(c(Cl)c1)C2(CBr)OCC(COc3ccc(cc3)c4ccccc4)O2,"InChI=1/C23H19BrCl2O3/c24-15-23(21-11-8-18(25)12-22(21)26)28-14-20(29-23)13-27-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-12,20H,13-15H2",C23H19BrCl2O3,,,,,,IJFQVWIAHXOHTM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.093,261-722-1,59376-58-8,"Undeca-2,4-dienol","undeca-2,4-dien-1-ol",CCCCCCC=CC=CCO,CCCCCCC=CC=CCO,"InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-10,12H,2-6,11H2,1H3",C11H20O,,,,,,FVKXLSPKNRZPJK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.983,263-801-6,63025-02-5,"(Z,E)-tetradeca-9,11-dien-1-ol","tetradeca-9,11-dien-1-ol",CCC=CC=CCCCCCCCCO,CCC=CC=CCCCCCCCCO,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-6,15H,2,7-14H2,1H3",C14H26O,,,,,,ZKCFLTTYWFSLDK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.988,263-806-3,63041-19-0,4-[(pyridin-4-ylcarbonyl)hydrazono]heptanedioic acid,4-(isonicotinoylhydrazono)heptanedioic acid,OC(=O)CCC(=NNC(=O)c1ccncc1)CCC(=O)O,OC(=O)CCC(=NNC(=O)c1ccncc1)CCC(=O)O,"InChI=1/C13H15N3O5/c17-11(18)3-1-10(2-4-12(19)20)15-16-13(21)9-5-7-14-8-6-9/h5-8H,1-4H2,(H,16,21)(H,17,18)(H,19,20)",C13H15N3O5,,,,,,KVKTWIRECGLOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.990,263-808-4,63042-23-9,"Estra-1,3,5(10)-triene-3,17ß-diol dibutyrate","estra-1,3,5(10)-triene-3,17-diyl dibutanoate",CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CCC)ccc4[C@H]3CC[C@]12C,CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CCC)ccc4[C@H]3CC[C@]12C,"InChI=1/C26H36O4/c1-4-6-24(27)29-18-9-11-19-17(16-18)8-10-21-20(19)14-15-26(3)22(21)12-13-23(26)30-25(28)7-5-2/h9,11,16,20-23H,4-8,10,12-15H2,1-3H3",C26H36O4,,,,,,KCWOSNZFDYZBNP-IOCWQACJSA-N,,,,,,,,,,,
100.057.991,263-810-5,63059-32-5,3-bromonaphthalen-2-amine hydrochloride,3-bromonaphthalen-2-amine hydrochloride,Cl.Nc1cc2ccccc2cc1Br,Cl.Nc1cc2ccccc2cc1Br,"InChI=1/C10H8BrN.ClH/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6H,12H2;1H",C10H8BrN.ClH,,,,,,NKBJKWFXQYVZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.992,263-811-0,63059-33-6,N-[(butylamino)carbonyl]glycine,N-(butylcarbamoyl)glycine,O=C(O)CNC(=O)NCCCC,O=C(O)CNC(=O)NCCCC,"InChI=1/C7H14N2O3/c1-2-3-4-8-7(12)9-5-6(10)11/h2-5H2,1H3,(H,10,11)(H2,8,9,12)",C7H14N2O3,,,,,,KGWHMDCQVDMTNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.993,263-812-6,63059-34-7,N-(tert-butyl)-1-hydroxy-5-[(methylsulphonyl)amino]naphthalene-2-sulphonamide,N-tert-butyl-1-hydroxy-5-[(methylsulfonyl)amino]naphthalene-2-sulfonamide,CC(C)(C)NS(=O)(=O)c1ccc2c(NS(=O)(=O)C)cccc2c1O,CC(C)(C)NS(=O)(=O)c1ccc2c(NS(=O)(=O)C)cccc2c1O,"InChI=1/C15H20N2O5S2/c1-15(2,3)17-24(21,22)13-9-8-10-11(14(13)18)6-5-7-12(10)16-23(4,19)20/h5-9,16-18H,1-4H3",C15H20N2O5S2,,,,,,BZLLYFGDMLSRAN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.627,265-609-8,65195-04-2,"2-cyano-4-heptylphenyl 4'-pentyl[1,1'-biphenyl]-4-carboxylate",2-cyano-4-heptylphenyl 4'-pentylbiphenyl-4-carboxylate,CCCCCCCc1ccc(OC(=O)c2ccc(cc2)c3ccc(CCCCC)cc3)c(c1)C#N,CCCCCCCc1ccc(OC(=O)c2ccc(cc2)c3ccc(CCCCC)cc3)c(c1)C#N,"InChI=1/C32H37NO2/c1-3-5-7-8-10-12-26-15-22-31(30(23-26)24-33)35-32(34)29-20-18-28(19-21-29)27-16-13-25(14-17-27)11-9-6-4-2/h13-23H,3-12H2,1-2H3",C32H37NO2,,,,,,XCAOWKAPACBAIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.630,265-612-4,65198-02-9,Methyl p-aminocinnamate,methyl 3-(4-aminophenyl)acrylate,COC(=O)\\C=C\\c1ccc(N)cc1,COC(=O)\C=C\c1ccc(N)cc1,"InChI=1/C10H11NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,11H2,1H3",C10H11NO2,,,,,,HYVLKRMLVXUWQE-QPJJXVBHSA-N,,,,,,,,,,,
100.059.642,265-626-0,65208-25-5,N-[2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]phthalimide,"2-[2-(ethyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethyl]-1H-isoindole-1,3(2H)-dione",[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2)N(CC)CCN4C(=O)c3ccccc3C4=O,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2)N(CC)CCN4C(=O)c3ccccc3C4=O,"InChI=1/C24H21N5O4/c1-2-27(15-16-28-23(30)21-5-3-4-6-22(21)24(28)31)19-11-7-17(8-12-19)25-26-18-9-13-20(14-10-18)29(32)33/h3-14H,2,15-16H2,1H3",C24H21N5O4,,,,,,CVBYCXSEWNPNEC-UHFFFAOYSA-N,,,,,,,,,,,
100.061.917,268-129-7,68003-45-2,Disodium 2-dodecyl 4-sulphonatophthalate,disodium 2-[(dodecyloxy)carbonyl]-4-sulfonatobenzoate,[Na+].[Na+].CCCCCCCCCCCCOC(=O)c1cc(ccc1C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCOC(=O)c1cc(ccc1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-27-20(23)18-15-16(28(24,25)26)12-13-17(18)19(21)22;;/h12-13,15H,2-11,14H2,1H3,(H,21,22)(H,24,25,26);;/q;2*+1/p-2",C20H30O7S.2Na,,,,,,FKUITBKKFLKVMS-UHFFFAOYSA-L,,,,,,,,,,,
100.061.919,268-131-8,68003-47-4,"6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-3'-methyl-2'-(octylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCCCCCNc1cc2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)N(CC)CC)cc1C,CCCCCCCCNc1cc2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)N(CC)CC)cc1C,"InChI=1/C33H40N2O3/c1-5-8-9-10-11-14-19-34-29-22-28-30(20-23(29)4)37-31-21-24(35(6-2)7-3)17-18-27(31)33(28)26-16-13-12-15-25(26)32(36)38-33/h12-13,15-18,20-22,34H,5-11,14,19H2,1-4H3",C33H40N2O3,,,,,,QOCARFZBVIMWOU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.211,266-253-6,66214-53-7,"2,2'-[[3-acetamido-4-[(2-chloro-5-nitrophenyl)azo]phenyl]imino]diethyl diacetate","({3-acetamido-4-[(2-chloro-5-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",Clc2ccc(cc2N=Nc1ccc(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,Clc2ccc(cc2N=Nc1ccc(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C22H24ClN5O7/c1-14(29)24-22-12-17(27(8-10-34-15(2)30)9-11-35-16(3)31)5-7-20(22)25-26-21-13-18(28(32)33)4-6-19(21)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)",C22H24ClN5O7,,,,,,FECKWPGJFHACBC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.218,266-260-4,66222-21-7,[1-(1-ethoxyethoxy)ethyl]benzene,[1-(1-ethoxyethoxy)ethyl]benzene,CCOC(C)OC(C)c1ccccc1,CCOC(C)OC(C)c1ccccc1,"InChI=1/C12H18O2/c1-4-13-11(3)14-10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3",C12H18O2,,,,,,VFIWVXFOXFCGOO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.231,266-275-6,66246-88-6,"1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole","1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole",CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl,CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl,"InChI=1/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3",C13H15Cl2N3,,,,,,WKBPZYKAUNRMKP-UHFFFAOYSA-N,Positive,EQ310701|EQ310702|EQ310703|EQ310704|EQ310705|EQ310706|EQ310707|EQ310708|EQ310709,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,284.0714:70.0399:158.976|70.0399:158.9762:172.9919|70.0399:158.9762:172.9919|70.0399:158.9762:172.9919|158.9762:70.0399:122.9995|158.9762:70.0399:122.9995|70.0399:122.9995:89.0385|89.0385:70.0399:72.9839|89.0385:72.9839:63.0229,Eawag,,,,,
100.060.237,266-281-9,66256-74-4,"Disodium 3,3'-[carbonylbis(imino-p-phenyleneazo)]bis[6-hydroxy-5-methylbenzoate]",disodium 5-({4-[({4-[(3-carboxylato-4-hydroxy-5-methylphenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)-2-hydroxy-3-methylbenzoate,[Na+].[Na+].Cc4cc(N=Nc3ccc(NC(=O)Nc2ccc(N=Nc1cc(C([O-])=O)c(O)c(C)c1)cc2)cc3)cc(C([O-])=O)c4O,[Na+].[Na+].Cc4cc(N=Nc3ccc(NC(=O)Nc2ccc(N=Nc1cc(C([O-])=O)c(O)c(C)c1)cc2)cc3)cc(C([O-])=O)c4O,"InChI=1/C29H24N6O7.2Na/c1-15-11-21(13-23(25(15)36)27(38)39)34-32-19-7-3-17(4-8-19)30-29(42)31-18-5-9-20(10-6-18)33-35-22-12-16(2)26(37)24(14-22)28(40)41;;/h3-14,36-37H,1-2H3,(H,38,39)(H,40,41)(H2,30,31,42);;/q;2*+1/p-2",C29H24N6O7.2Na,,,,,,PQRQYRHJXSNYOW-UHFFFAOYSA-L,,,,,,,,,,,
100.060.239,266-284-5,66261-70-9,"Trisodium 2-[[4-[[4-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate","trisodium 2-{[4-({4-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Clc5nc(nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c3cc(ccc34)S([O-])(=O)=O)n5)c6ccccc6,[Na+].[Na+].[Na+].Clc5nc(nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c3cc(ccc34)S([O-])(=O)=O)n5)c6ccccc6,"InChI=1/C33H25ClN8O9S3.3Na/c1-18-15-28(41-42-29-17-22(53(46,47)48)9-13-30(29)54(49,50)51)19(2)14-27(18)40-39-26-12-11-25(23-10-8-21(16-24(23)26)52(43,44)45)35-33-37-31(36-32(34)38-33)20-6-4-3-5-7-20;;;/h3-17H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,35,36,37,38);;;/q;3*+1/p-3",C33H25ClN8O9S3.3Na,,,,,,FELODSAGZQMQRQ-UHFFFAOYSA-K,,,,,,,,,,,
100.060.241,266-286-6,66264-72-0,4-hydroxy-a-[[[3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-3-(methylthio)benzyl alcohol,4-(1-hydroxy-2-{[3-(4-methoxyphenyl)-1-methylpropyl]amino}ethyl)-2-(methylsulfanyl)phenol,COc1ccc(CCC(C)NCC(O)c2ccc(O)c(SC)c2)cc1,COc1ccc(CCC(C)NCC(O)c2ccc(O)c(SC)c2)cc1,"InChI=1/C20H27NO3S/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3/h6-12,14,19,21-23H,4-5,13H2,1-3H3",C20H27NO3S,,,,,,CRDBXRWQBYVTGN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.609,260-089-9,56276-49-4,"3-(phenylazo)pentane-2,4-dione","3-(phenyldiazenyl)pentane-2,4-dione",CC(=O)C(N=Nc1ccccc1)C(C)=O,CC(=O)C(N=Nc1ccccc1)C(C)=O,"InChI=1/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,11H,1-2H3",C11H12N2O2,,,,,,KZPRCESDIPAEAE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.613,260-094-6,56281-36-8,Motretinide,"N-ethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenimidic acid",Cc1c(C)c(c(C)cc1OC)\\C=C\\C(\\C)=C\\C=C\\C(\\C)=C\\C(\\O)=N\\CC,Cc1c(C)c(c(C)cc1OC)\C=C\C(\C)=C\C=C\C(\C)=C\C(\O)=N\CC,"InChI=1/C23H31NO2/c1-8-24-23(25)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(26-7)20(6)19(21)5/h9-15H,8H2,1-7H3,(H,24,25)",C23H31NO2,,,,,,IYIYMCASGKQOCZ-DJRRULDNSA-N,,,,,,,,,,,
100.054.619,260-100-7,56292-11-6,O-methylene-D-glucose,"3,4-O-methylenehexose",OCC(O)C1OCOC1C(O)C=O,OCC(O)C1OCOC1C(O)C=O,"InChI=1/C7H12O6/c8-1-4(10)6-7(5(11)2-9)13-3-12-6/h1,4-7,9-11H,2-3H2",C7H12O6,,,,,,PUFGZTGHLMWPQI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.621,260-102-8,56296-83-4,Ethyl N2-acetyl-L-argininate,ethyl N~2~-acetyl-L-argininate,CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)C,CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)C,"InChI=1/C10H20N4O3/c1-3-17-9(16)8(14-7(2)15)5-4-6-13-10(11)12/h8H,3-6H2,1-2H3,(H,14,15)(H4,11,12,13)",C10H20N4O3,,,,,,VAPHLLYHDMUQSW-QMMMGPOBSA-N,,,,,,,,,,,
100.054.751,260-245-6,56525-86-1,"4-(1,3-diphenylbutyl)-o-xylene","4-(1,3-diphenylbutyl)-1,2-dimethylbenzene",CC(CC(c1ccccc1)c2ccc(C)c(C)c2)c3ccccc3,CC(CC(c1ccccc1)c2ccc(C)c(C)c2)c3ccccc3,"InChI=1/C24H26/c1-18-14-15-23(16-19(18)2)24(22-12-8-5-9-13-22)17-20(3)21-10-6-4-7-11-21/h4-16,20,24H,17H2,1-3H3",C24H26,,,,,,LWURZOGQVAFYIE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.759,260-254-5,56548-04-0,"Bis(2,2-dimethoxyethyl)amine","N-(2,2-dimethoxyethyl)-2,2-dimethoxyethanamine",COC(CNCC(OC)OC)OC,COC(CNCC(OC)OC)OC,"InChI=1/C8H19NO4/c1-10-7(11-2)5-9-6-8(12-3)13-4/h7-9H,5-6H2,1-4H3",C8H19NO4,,,,,,OMMFDGDFQAYQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.457,252-219-8,34798-80-6,Methyl (4-phenyl-4-piperidyl) ketone,1-(4-phenylpiperidin-4-yl)ethanone,CC(=O)C1(CCNCC1)c2ccccc2,CC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C13H17NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3",C13H17NO,,,,,,RKHWHRHOEKYEJW-UHFFFAOYSA-N,,,,,,,,,,,
100.055.895,261-505-1,58935-22-1,"2,9-bis(3-methoxypropyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(3-methoxypropyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",COCCCN1C(=O)c2ccc3c4ccc5C(=O)N(CCCOC)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56,COCCCN1C(=O)c2ccc3c4ccc5C(=O)N(CCCOC)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56,"InChI=1/C32H26N2O6/c1-39-15-3-13-33-29(35)21-9-5-17-19-7-11-23-28-24(32(38)34(31(23)37)14-4-16-40-2)12-8-20(26(19)28)18-6-10-22(30(33)36)27(21)25(17)18/h5-12H,3-4,13-16H2,1-2H3",C32H26N2O6,,,,,,YCBSHFWAUYDPQS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.900,261-510-9,58946-24-0,"4,5,7,8,9,10,11,12,13,13a-decahydro-1H,3H-cyclobuta[1,11]cycloundeca[1,2-c]furan","4,5,7,8,9,10,11,12,13,13a-decahydro-1H-cyclobuta[1,11]cycloundeca[1,2-c]furan",C1CCC\\C=C/2\\CCC23COCC3CCC1,C1CCC\C=C/2\CCC23COCC3CCC1,"InChI=1/C15H24O/c1-2-4-6-8-14-11-16-12-15(14)10-9-13(15)7-5-3-1/h7,14H,1-6,8-12H2",C15H24O,,,,,,QMQOUTVLZITRGI-QPEQYQDCSA-N,,,,,,,,,,,
100.055.902,261-513-5,58948-14-4,"2,2'-oxybis[5,5-bis(bromomethyl)-1,3,2-dioxaphosphorinane] 2,2'-dioxide","2,2'-oxybis[5,5-bis(bromomethyl)-1,3,2-dioxaphosphinane] 2,2'-dioxide",BrCC1(CBr)COP(=O)(OP2(=O)OCC(CBr)(CBr)CO2)OC1,BrCC1(CBr)COP(=O)(OP2(=O)OCC(CBr)(CBr)CO2)OC1,"InChI=1/C10H16Br4O7P2/c11-1-9(2-12)5-17-22(15,18-6-9)21-23(16)19-7-10(3-13,4-14)8-20-23/h1-8H2",C10H16Br4O7P2,,,,,,XKBRXFJIWDVQBE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.418,262-080-5,60145-67-7,Ethyl 2-hydroxycyclopentanehexanoate,ethyl 6-(2-hydroxycyclopentyl)hexanoate,CCOC(=O)CCCCCC1CCCC1O,CCOC(=O)CCCCCC1CCCC1O,"InChI=1/C13H24O3/c1-2-16-13(15)10-5-3-4-7-11-8-6-9-12(11)14/h11-12,14H,2-10H2,1H3",C13H24O3,,,,,,SFMRRKMGJGLWGR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.419,262-081-0,60148-52-9,"Cyano(3-phenoxyphenyl)methyl 3,3-dimethylspiro[cyclopropane-1,1'-[1H]indene]-2-carboxylate","cyano(3-phenoxyphenyl)methyl 3,3-dimethylspiro[cyclopropane-1,1'-indene]-2-carboxylate",CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C14C=Cc5ccccc45,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C14C=Cc5ccccc45,"InChI=1/C28H23NO3/c1-27(2)25(28(27)16-15-19-9-6-7-14-23(19)28)26(30)32-24(18-29)20-10-8-13-22(17-20)31-21-11-4-3-5-12-21/h3-17,24-25H,1-2H3",C28H23NO3,,,,,,CWUDZUQQZDXUHF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.420,262-082-6,60148-93-8,"(±)-6,10-dimethylundecan-2-one","6,10-dimethylundecan-2-one",CC(C)CCCC(C)CCCC(=O)C,CC(C)CCCC(C)CCCC(=O)C,"InChI=1/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3",C13H26O,,,,,,RBGLEUBCAJNCTR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.426,262-088-9,60159-97-9,Diethylamine phosphate,N-ethylethanamine phosphate,CCNCC.OP(O)(=O)O,CCNCC.OP(O)(=O)O,"InChI=1/C4H11N.H3O4P/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)",C4H11N.xH3O4P,,,,,,ASLNLSYDVOWAFS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.430,262-093-6,60166-93-0,"(S)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodoisophthaldiamide","N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-(lactoylamino)isophthalamide",CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,"InChI=1/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)",C17H22I3N3O8,,,,,,XQZXYNRDCRIARQ-UHFFFAOYSA-N,Positive,EA024101|EA024102|EA024103|EA024104|EA024105|EA024106|EA024107|EA024108|EA024109|EA024110|EA024111|EA024112|EA024113|EA024114,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,558.8852:759.8507:704.8082|558.8854:74.0601:686.7985|386.9829:558.885:541.8833|331.9416:386.9834:313.9311|285.9361:313.9307:331.9414|285.9361:257.941:269.9408|103.0416:113.0135:113.9975|558.8852:74.06:686.7986|386.9834:558.8851:541.8825|331.941:386.9835:313.9307|285.9356:331.9413:313.9305|285.9357:269.9407:257.9411|103.0416:115.9889:159.0315|558.885:759.8504:704.8081,Eawag,,,,,
100.056.433,262-096-2,60175-02-2,4-[isopropylthio]-a-[1-(octylamino)ethyl]benzyl alcohol hydrochloride,1-[4-(isopropylsulfanyl)phenyl]-2-(octylamino)propan-1-ol hydrochloride,Cl.CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,Cl.CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,"InChI=1/C20H35NOS.ClH/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3;/h11-14,16-17,20-22H,5-10,15H2,1-4H3;1H",C20H35NOS.ClH,,,,,,JRJJHIUHSILDOH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.438,262-101-8,60207-30-9,"2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane","2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane",Clc1ccc(c(Cl)c1)C2(CBr)OCCO2,Clc1ccc(c(Cl)c1)C2(CBr)OCCO2,"InChI=1/C10H9BrCl2O2/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13/h1-2,5H,3-4,6H2",C10H9BrCl2O2,,,,,,KSCVSVDHVXNGCH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.445,262-109-1,60211-57-6,"3,5-dichlorobenzylic alcohol","(3,5-dichlorophenyl)methanol",OCc1cc(Cl)cc(Cl)c1,OCc1cc(Cl)cc(Cl)c1,"InChI=1/C7H6Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2",C7H6Cl2O,,,,,,VSNNLLQKDRCKCB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.448,262-112-8,60233-31-0,"N-[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-a-(2,2-dimethylpropionyl)-1H-1,2,4-triazol-1-acetamide","N-[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-2-(3-chloro-1H-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3cnc(Cl)n3)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3cnc(Cl)n3)c2)c(c1)C(C)(C)CC,"InChI=1/C35H47Cl2N5O4/c1-10-34(6,7)22-14-17-27(24(19-22)35(8,9)11-2)46-18-12-13-28(43)39-23-15-16-25(36)26(20-23)40-31(45)29(30(44)33(3,4)5)42-21-38-32(37)41-42/h14-17,19-21,29H,10-13,18H2,1-9H3,(H,39,43)(H,40,45)",C35H47Cl2N5O4,,,,,,ATJHJQBHCWMUBT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.163,255-198-3,41062-73-1,"2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)","bis(2-{2-[(4-methoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium) sulfate",COc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.COc4ccc(N\\C=C\\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-],COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.COc4ccc(N\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-],"InChI=1/2C20H22N2O.H2O4S/c2*1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h2*5-14H,1-4H3;(H2,1,2,3,4)",C20H23N2O.1/2O4S,,,,,,HPFBDKLLUYVSIH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.167,255-202-3,41078-06-2,2-cyano-N-[(ethylamino)carbonyl]acetamide,2-cyano-N-(ethylcarbamoyl)acetamide,CCNC(=O)NC(=O)CC#N,CCNC(=O)NC(=O)CC#N,"InChI=1/C6H9N3O2/c1-2-8-6(11)9-5(10)3-4-7/h2-3H2,1H3,(H2,8,9,10,11)",C6H9N3O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6079,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.167,QDSMMCFEDQQODS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.168,255-203-9,41078-07-3,2-cyano-N-[(propylamino)carbonyl]acetamide,2-cyano-N-(propylcarbamoyl)acetamide,CCCNC(=O)NC(=O)CC#N,CCCNC(=O)NC(=O)CC#N,"InChI=1/C7H11N3O2/c1-2-5-9-7(12)10-6(11)3-4-8/h2-3,5H2,1H3,(H2,9,10,11,12)",C7H11N3O2,,,,,,IPYUASJGSWVYAY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.170,255-206-5,41078-68-6,"3-(2-hydroxyethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one","3-(2-hydroxyethyl)-2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=CC2=NC(=C(CCO)C(=O)N2C=C1)C,CC1=CC2=NC(=C(CCO)C(=O)N2C=C1)C,"InChI=1/C12H14N2O2/c1-8-3-5-14-11(7-8)13-9(2)10(4-6-15)12(14)16/h3,5,7,15H,4,6H2,1-2H3",C12H14N2O2,,,,,,RCYCYRNOSOZWAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.182,255-219-6,41100-52-1,"3,5-dimethyltricyclo[3.3.1.13,7]decan-1-amine hydrochloride","3,5-dimethyladamantan-1-amine hydrochloride",Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2,Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2,"InChI=1/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H",C12H21N.ClH,,,,,,LDDHMLJTFXJGPI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.185,255-222-2,41108-81-0,"1,1-dimethylethyl trimethylsilylacetate",tert-butyl (trimethylsilyl)acetate,CC(C)(C)OC(=O)C[Si](C)(C)C,CC(C)(C)OC(=O)C[Si](C)(C)C,"InChI=1/C9H20O2Si/c1-9(2,3)11-8(10)7-12(4,5)6/h7H2,1-6H3",C9H20O2Si,,,,,,HOHBQWITMXOSOW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.186,255-223-8,41114-00-5,Ethyl pentadecanoate,ethyl pentadecanoate,CCCCCCCCCCCCCCC(=O)OCC,CCCCCCCCCCCCCCC(=O)OCC,"InChI=1/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3",C17H34O2,,,,,,PTEYJUIKYIKULL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.189,255-226-4,41121-04-4,Bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amine,2-[2-(2-methoxyethoxy)ethoxy]-N-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}ethanamine,COCCOCCOCCNCCOCCOCCOC,COCCOCCOCCNCCOCCOCCOC,"InChI=1/C14H31NO6/c1-16-7-9-20-13-11-18-5-3-15-4-6-19-12-14-21-10-8-17-2/h15H,3-14H2,1-2H3",C14H31NO6,,,,,,NBTVYAUPXIBYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.192,255-230-6,41123-44-8,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl methacrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C15H8F20O2/c1-4(2)5(36)37-3-7(18,19)9(22,23)11(26,27)13(30,31)15(34,35)14(32,33)12(28,29)10(24,25)8(20,21)6(16)17/h6H,1,3H2,2H3",C15H8F20O2,,,,,,PUCOLQDJAFBFDR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.199,255-237-4,41137-52-4,"4-benzoyl-3-hydroxyphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","4-benzoyl-3-hydroxyphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Oc1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)ccc1C(=O)c4ccccc4,Oc1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)ccc1C(=O)c4ccccc4,"InChI=1/C23H14N2O6S/c24-25-19-12-11-16-17(23(19)28)7-4-8-21(16)32(29,30)31-15-9-10-18(20(26)13-15)22(27)14-5-2-1-3-6-14/h1-13,26H",C23H14N2O6S,,,,,,HGJZGZZHXVULMI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.201,255-240-0,41141-95-1,[(methoxycarbonyl)amino][(4-methylphenyl)sulphonyl]acetic acid,[(methoxycarbonyl)amino][(4-methylphenyl)sulfonyl]acetic acid,COC(=O)NC(C(=O)O)S(=O)(=O)c1ccc(C)cc1,COC(=O)NC(C(=O)O)S(=O)(=O)c1ccc(C)cc1,"InChI=1/C11H13NO6S/c1-7-3-5-8(6-4-7)19(16,17)9(10(13)14)12-11(15)18-2/h3-6,9H,1-2H3,(H,12,15)(H,13,14)",C11H13NO6S,,,,,,AFHMCCYRILDPQC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.967,257-183-7,51411-23-5,1-O-a-D-glucopyranosyl-D-fructose,1-O-alpha-D-glucopyranosyl-D-fructose,OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2",C12H22O11,,,,,,NMELTECMHKKXLF-DGQJZECASA-N,,,,,,,,,,,
100.051.972,257-188-4,51418-86-1,"Ethyl 6-bromo-2,7-dihydro-4-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate","ethyl 6-bromo-4-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate",CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Br)cc(C)c(NC1=O)c24,CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Br)cc(C)c(NC1=O)c24,"InChI=1/C20H14BrNO4/c1-3-26-20(25)16-13-10-6-4-5-7-11(10)18(23)14-12(21)8-9(2)17(15(13)14)22-19(16)24/h4-8H,3H2,1-2H3,(H,22,24)",C20H14BrNO4,,,,,,UPPWYHBZBLCPDK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.975,257-192-6,51418-91-8,Lithium 3-[[4-[[4-(2-hydroxybutoxy)-3-methylphenyl]azo]-3-methoxyphenyl]azo]benzenesulphonate,lithium 3-[(4-{[4-(2-hydroxybutoxy)-3-methylphenyl]diazenyl}-3-methoxyphenyl)diazenyl]benzenesulfonate,[Li+].COc2cc(ccc2N=Nc1cc(C)c(OCC(O)CC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,[Li+].COc2cc(ccc2N=Nc1cc(C)c(OCC(O)CC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,"InChI=1/C24H26N4O6S.Li/c1-4-20(29)15-34-23-11-9-18(12-16(23)2)27-28-22-10-8-19(14-24(22)33-3)26-25-17-6-5-7-21(13-17)35(30,31)32;/h5-14,20,29H,4,15H2,1-3H3,(H,30,31,32);/q;+1/p-1",C24H26N4O6S.Li,,,,,,SWOVKQBHUDNJJN-UHFFFAOYSA-M,,,,,,,,,,,
100.061.942,268-156-4,68015-91-8,4-(ethylamino)-3-methylbenzenediazonium hexafluorophosphate,4-(ethylamino)-3-methylbenzenediazonium hexafluorophosphate,CCNc1ccc(cc1C)[N+]#N.F[P-](F)(F)(F)(F)F,CCNc1ccc(cc1C)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C9H12N3.F6P/c1-3-11-9-5-4-8(12-10)6-7(9)2;1-7(2,3,4,5)6/h4-6,11H,3H2,1-2H3;/q+1;-1",C9H12N3.F6P,,,,,,USQKZJMNGGNNAP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.943,268-158-5,68015-92-9,3-chloro-4-(1-pyrrolidinyl)benzenediazonium hexafluorophosphate,3-chloro-4-pyrrolidin-1-ylbenzenediazonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.Clc1cc(ccc1N2CCCC2)[N+]#N,F[P-](F)(F)(F)(F)F.Clc1cc(ccc1N2CCCC2)[N+]#N,"InChI=1/C10H11ClN3.F6P/c11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;1-7(2,3,4,5)6/h3-4,7H,1-2,5-6H2;/q+1;-1",C10H11ClN3.F6P,,,,,,UTZHTHLMGIMKCD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.945,268-160-6,68015-94-1,1-sec-butyl-2-(methoxymethyl)-4-nitrobenzene,1-sec-butyl-2-(methoxymethyl)-4-nitrobenzene,CCC(C)c1ccc(cc1COC)[N+](=O)[O-],CCC(C)c1ccc(cc1COC)[N+](=O)[O-],"InChI=1/C12H17NO3/c1-4-9(2)12-6-5-11(13(14)15)7-10(12)8-16-3/h5-7,9H,4,8H2,1-3H3",C12H17NO3,,,,,,CKYQQSJXQJDXNK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.848,266-953-1,67701-35-3,Bis(3-amino-4-methylbenzamide) sulphate,3-amino-4-methylbenzamide sulfate (2:1),Cc1ccc(cc1N)C(=O)N.Cc2ccc(cc2N)C(=O)N.OS(=O)(=O)O,Cc1ccc(cc1N)C(=O)N.Cc2ccc(cc2N)C(=O)N.OS(=O)(=O)O,"InChI=1/2C8H10N2O.H2O4S/c2*1-5-2-3-6(8(10)11)4-7(5)9;1-5(2,3)4/h2*2-4H,9H2,1H3,(H2,10,11);(H2,1,2,3,4)",C8H10N2O.1/2H2O4S,,,,,,NACGHFCJVMGMES-UHFFFAOYSA-N,,,,,,,,,,,
100.060.853,266-958-9,67707-09-9,9-butyl-9H-carbazole-3-carbaldehyde,9-butyl-9H-carbazole-3-carbaldehyde,CCCCn1c2ccccc2c3cc(C=O)ccc13,CCCCn1c2ccccc2c3cc(C=O)ccc13,"InChI=1/C17H17NO/c1-2-3-10-18-16-7-5-4-6-14(16)15-11-13(12-19)8-9-17(15)18/h4-9,11-12H,2-3,10H2,1H3",C17H17NO,,,,,,MNLZGFHCFGWITO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.855,266-961-5,67710-71-8,"Hexahydro-1,4,10,10-tetramethyl-1H,4H-3a,8a-epoxy-4,7-methanoazulene","1,4,10,10-tetramethylhexahydro-1H,4H-3a,8a-epoxy-4,7-methanoazulene",CC1CCC23OC12CC4CCC3(C)C4(C)C,CC1CCC23OC12CC4CCC3(C)C4(C)C,"InChI=1/C15H24O/c1-10-5-8-15-13(4)7-6-11(12(13,2)3)9-14(10,15)16-15/h10-11H,5-9H2,1-4H3",C15H24O,,,,,,ITGOXMFOJUVODK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.872,266-979-3,67715-79-1,"4,6,9-trimethyl-3,5,8,10-tetraoxadodecane","4,6,9-trimethyl-3,5,8,10-tetraoxadodecane",CCOC(C)OCC(C)OC(C)OCC,CCOC(C)OCC(C)OC(C)OCC,"InChI=1/C11H24O4/c1-6-12-10(4)14-8-9(3)15-11(5)13-7-2/h9-11H,6-8H2,1-5H3",C11H24O4,,,,,,TZVJNJVDGXFMCF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.097,261-726-3,59382-51-3,"1,1,3,3-tetramethylbutyl phenoxyperoxyacetate","1,1,3,3-tetramethylbutyl (phenyltrioxidanyl)acetate",CC(C)(C)CC(C)(C)OC(=O)COOOc1ccccc1,CC(C)(C)CC(C)(C)OC(=O)COOOc1ccccc1,"InChI=1/C16H24O5/c1-15(2,3)12-16(4,5)19-14(17)11-18-21-20-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3",C16H24O4,,,,,,SCJDRDZZDZWVQL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.098,261-727-9,59383-11-8,2-chloroethyl 3-nitro-p-toluate,2-chloroethyl 4-methyl-3-nitrobenzoate,Cc1ccc(cc1[N+](=O)[O-])C(=O)OCCCl,Cc1ccc(cc1[N+](=O)[O-])C(=O)OCCCl,"InChI=1/C10H10ClNO4/c1-7-2-3-8(6-9(7)12(14)15)10(13)16-5-4-11/h2-3,6H,4-5H2,1H3",C10H10ClNO4,,,,,,FHTNGTPVGWEJPG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.100,261-730-5,59385-63-6,N-(5-chloro-2-methoxy-4-nitrophenyl)benzamide,N-(5-chloro-2-methoxy-4-nitrophenyl)benzamide,COc1cc(c(Cl)cc1NC(=O)c2ccccc2)[N+](=O)[O-],COc1cc(c(Cl)cc1NC(=O)c2ccccc2)[N+](=O)[O-],"InChI=1/C14H11ClN2O4/c1-21-13-8-12(17(19)20)10(15)7-11(13)16-14(18)9-5-3-2-4-6-9/h2-8H,1H3,(H,16,18)",C14H11ClN2O4,,,,,,HGVDYDIWZCHHKB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.104,261-734-7,59396-51-9,(2-fluoro-5-methylphenyl) phenyl ketone,(2-fluoro-5-methylphenyl)(phenyl)methanone,Cc1ccc(F)c(c1)C(=O)c2ccccc2,Cc1ccc(F)c(c1)C(=O)c2ccccc2,"InChI=1/C14H11FO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9H,1H3",C14H11FO,,,,,,JFZHVQYMBLLLMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.118,261-749-9,59411-71-1,"4-(2,5-dimethoxy-4-nitrophenyl)morpholine","4-(2,5-dimethoxy-4-nitrophenyl)morpholine",COc1cc(c(OC)cc1N2CCOCC2)[N+](=O)[O-],COc1cc(c(OC)cc1N2CCOCC2)[N+](=O)[O-],"InChI=1/C12H16N2O5/c1-17-11-8-10(14(15)16)12(18-2)7-9(11)13-3-5-19-6-4-13/h7-8H,3-6H2,1-2H3",C12H16N2O5,,,,,,IMMNPCLCFUZRHP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.120,261-752-5,59413-58-0,"Dilithium 4,4'-methylenebis[3-hydroxy-2-naphthoate]","dilithium 4,4'-methylenebis(3-hydroxy-2-naphthoate)",[Li+].[Li+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-],[Li+].[Li+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-],"InChI=1/C23H16O6.2Li/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2",C23H16O6.2Li,,,,,,WOVQWDBCQLVNRC-UHFFFAOYSA-L,,,,,,,,,,,
100.056.121,261-753-0,59414-23-2,"Methyl 3-trimethylsilyloxybuta-1,3-dien-1-yl ether",[(3-methoxy-1-methyleneprop-2-en-1-yl)oxy](trimethyl)silane,C[Si](C)(C)OC(=C)C=COC,C[Si](C)(C)OC(=C)C=COC,"InChI=1/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3",C8H16O2Si,,,,,,SHALBPKEGDBVKK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.757,263-552-3,62456-13-7,"5-(chloromethyl)-1,2-dihydroacenaphthylene","5-(chloromethyl)-1,2-dihydroacenaphthylene",ClCc1ccc2CCc3cccc1c23,ClCc1ccc2CCc3cccc1c23,"InChI=1/C13H11Cl/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-7H,4-5,8H2",C13H11Cl,,,,,,NEEMSAQTCUNZJD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.458,252-220-3,34803-66-2,1-(2-pyridyl)piperazine,1-pyridin-2-ylpiperazine,C1CN(CCN1)c2ccccn2,C1CN(CCN1)c2ccccn2,"InChI=1/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2",C9H13N3,,,,,,GZRKXKUVVPSREJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.459,252-221-9,34803-68-4,1-piperazinylpyrazine,2-piperazin-1-ylpyrazine,C1CN(CCN1)c2cnccn2,C1CN(CCN1)c2cnccn2,"InChI=1/C8H12N4/c1-2-11-8(7-10-1)12-5-3-9-4-6-12/h1-2,7,9H,3-6H2",C8H12N4,,,,,,HCGFLVDMFDHYJD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.460,252-222-4,34810-67-8,o-(1H-pyrazol-3-yl)phenol,2-(1H-pyrazol-3-yl)phenol,Oc1ccccc1c2cc[nH]n2,Oc1ccccc1c2cc[nH]n2,"InChI=1/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6,12H,(H,10,11)",C9H8N2O,,,,,,LKTJPAUDNOBJAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.465,252-228-7,34819-86-8,"1,5-dianhydro-2,6-dideoxy-L-arabino-hex-1-enitol diacetate","3,4-di-O-acetyl-2,6-anhydro-1,5-dideoxyhex-5-enitol",CC1OC=CC(OC(=O)C)C1OC(=O)C,CC1OC=CC(OC(=O)C)C1OC(=O)C,"InChI=1/C10H14O5/c1-6-10(15-8(3)12)9(4-5-13-6)14-7(2)11/h4-6,9-10H,1-3H3",C10H14O5,,,,,,NDEGMKQAZZBNBB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.468,252-231-3,34828-19-8,"Benzyl[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-tolyl]amino]ethyl]dimethylammonium dihydrogen phosphate","N-benzyl-2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N-dimethylethanaminium dihydrogen phosphate",[H+].[H+].[O-]P([O-])([O-])=O.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4,[H+].[H+].[O-]P([O-])([O-])=O.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4,"InChI=1/C28H33N6S.H3O4P.2H2/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-5(2,3)4;;/h6-17,20H,5,18-19,21H2,1-4H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3",C28H33N6S.H2O4P,,,,,,FFWWZLMZVJVNLS-UHFFFAOYSA-M,,,,,,,,,,,
100.047.479,252-243-9,34841-36-6,2-(tert-butylamino)-3'-chloropropiophenone hydrochloride,2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one hydrochloride,Cl.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,Cl.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,"InChI=1/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H",C13H18ClNO.ClH,,,,,,HEYVINCGKDONRU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.485,252-250-7,34850-66-3,"Sodium (±)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonate","sodium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",CC1(C)C2CCC1(CS(=O)(=O)O[Na])C(=O)C2,CC1(C)C2CCC1(CS(=O)(=O)O[Na])C(=O)C2,"InChI=1/C10H16O4S.Na/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1/rC10H15NaO4S/c1-9(2)7-3-4-10(9,8(12)5-7)6-16(13,14)15-11/h7H,3-6H2,1-2H3",C10H16O4S.Na,,,,,,AWMAOFAHBPCBHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.047.487,252-252-8,34851-65-5,Sodium 4-[(4-butylphenyl)azo]-3-hydroxy-2-naphthoate,sodium 4-[(4-butylphenyl)diazenyl]-3-hydroxy-2-naphthoate,[Na+].[O-]C(=O)c3cc1ccccc1c(N=Nc2ccc(CCCC)cc2)c3O,[Na+].[O-]C(=O)c3cc1ccccc1c(N=Nc2ccc(CCCC)cc2)c3O,"InChI=1/C21H20N2O3.Na/c1-2-3-6-14-9-11-16(12-10-14)22-23-19-17-8-5-4-7-15(17)13-18(20(19)24)21(25)26;/h4-5,7-13,24H,2-3,6H2,1H3,(H,25,26);/q;+1/p-1",C21H20N2O3.Na,,,,,,ARVUFEWGKOWABB-UHFFFAOYSA-M,,,,,,,,,,,
100.058.320,264-172-0,63450-43-1,Sodium 3-methylsulphanilate,sodium 4-amino-3-methylbenzenesulfonate,[Na+].Cc1cc(ccc1N)S(=O)(=O)[O-],[Na+].Cc1cc(ccc1N)S(=O)(=O)[O-],"InChI=1/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1",C7H9NO3S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11328,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.320,RVSNUNNCRYLEEM-UHFFFAOYSA-M,,,,,,,,,,,
100.058.325,264-177-8,63450-67-9,"2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulphonatobutyl)-2H-benz[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium disodium iodide","2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulphonatobutyl)-2H-benz[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium disodium iodide",[Na+].[Na+].[I-].[O-]S(=O)(=O)CCCC[N+]=6c2ccc1ccccc1c2C(C)(C)C=6C=CC=CC=CC=C5N(CCCCS([O-])(=O)=O)c4ccc3ccccc3c4C5(C)C,[Na+].[Na+].[I-].[O-]S(=O)(=O)CCCC[N+]=6c2ccc1ccccc1c2C(C)(C)C=6C=CC=CC=CC=C5N(CCCCS([O-])(=O)=O)c4ccc3ccccc3c4C5(C)C,"InChI=1/C43H48N2O6S2.HI.2Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;;;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);1H;;/q;;2*+1/p-2",C43H49N2O6S2.I.2Na,,,,,,HDIVZKFFHOZQDS-UHFFFAOYSA-L,,,,,,,,,,,
100.058.327,264-179-9,63450-70-4,Dihexyl disulphoxide,"1,2-dihexyldisulfane 1,2-dioxide",CCCCCCS(=O)S(=O)CCCCCC,CCCCCCS(=O)S(=O)CCCCCC,"InChI=1/C12H26O2S2/c1-3-5-7-9-11-15(13)16(14)12-10-8-6-4-2/h3-12H2,1-2H3",C12H26O2S2,,,,,,KNXIMYUHWUOWMW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.335,264-188-8,63451-21-8,N-(2-aminoethyl)-N-(2-hydroxyethyl)dodecanamide,N-(2-aminoethyl)-N-(2-hydroxyethyl)dodecanamide,CCCCCCCCCCCC(=O)N(CCN)CCO,CCCCCCCCCCCC(=O)N(CCN)CCO,"InChI=1/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18(13-12-17)14-15-19/h19H,2-15,17H2,1H3",C16H34N2O2,,,,,,KOUNBXVVHJVUQL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.338,264-191-4,63451-30-9,"2,4,6-tripyridin-2-yl-1,3,5-triazine monoperchlorate","2,4,6-tripyridin-2-yl-1,3,5-triazine perchlorate",OCl(=O)(=O)=O.c1ccc(nc1)c2nc(nc(n2)c3ccccn3)c4ccccn4,OCl(=O)(=O)=O.c1ccc(nc1)c2nc(nc(n2)c3ccccn3)c4ccccn4,"InChI=1/C18H12N6.ClHO4/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;2-1(3,4)5/h1-12H;(H,2,3,4,5)",C18H12N6.ClHO4,,,,,,PTLZEUPBWKXHDM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.449,262-113-3,60234-72-2,"Ethyl 5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate","ethyl 5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate",CCOC(=O)C1OC12CC(C)CC(C)(C)C2,CCOC(=O)C1OC12CC(C)CC(C)(C)C2,"InChI=1/C13H22O3/c1-5-15-11(14)10-13(16-10)7-9(2)6-12(3,4)8-13/h9-10H,5-8H2,1-4H3",C13H22O3,,,,,,RMWIEEYTJKQJFF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.455,262-120-1,60241-69-2,"1-(2,2,6-trimethylcyclohexyl)pentan-3-one","1-(2,2,6-trimethylcyclohexyl)pentan-3-one",CCC(=O)CCC1C(C)CCCC1(C)C,CCC(=O)CCC1C(C)CCCC1(C)C,"InChI=1/C14H26O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h11,13H,5-10H2,1-4H3",C14H26O,,,,,,KFDYBYSVIGXWSM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.456,262-121-7,60246-14-2,4-(m-nitrostyryl)cinnoline,4-[2-(3-nitrophenyl)vinyl]cinnoline,[O-][N+](=O)c1cccc(\\C=C\\c2cnnc3ccccc23)c1,[O-][N+](=O)c1cccc(\C=C\c2cnnc3ccccc23)c1,InChI=1/C16H11N3O2/c20-19(21)14-5-3-4-12(10-14)8-9-13-11-17-18-16-7-2-1-6-15(13)16/h1-11H,C16H11N3O2,,,,,,ACOHLVVMLNSRSQ-CMDGGOBGSA-N,,,,,,,,,,,
100.056.457,262-122-2,60247-61-2,"N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]-4,4-dimethyl-3-oxovaleramide","N-{2-chloro-5-[(hexadecylsulfonyl)amino]phenyl}-2-{4-[(4-hydroxyphenyl)sulfonyl]phenoxy}-4,4-dimethyl-3-oxopentanamide",CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C(Oc2ccc(cc2)S(=O)(=O)c3ccc(O)cc3)C(=O)C(C)(C)C)c1,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C(Oc2ccc(cc2)S(=O)(=O)c3ccc(O)cc3)C(=O)C(C)(C)C)c1,"InChI=1/C41H57ClN2O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-53(48,49)44-31-19-28-36(42)37(30-31)43-40(47)38(39(46)41(2,3)4)52-33-22-26-35(27-23-33)54(50,51)34-24-20-32(45)21-25-34/h19-28,30,38,44-45H,5-18,29H2,1-4H3,(H,43,47)",C41H57ClN2O8S2,,,,,,KNWWADFQECPVGP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.459,262-124-3,60248-24-0,3-[2-[(4-cinnamyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]-1-(2-furyl)propan-1-one dimaleate,1-(2-furyl)-3-(2-{[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}-1H-benzimidazol-1-yl)propan-1-one dibut-2-enedioate,OC(=O)\\C=C/C(=O)O.OC(=O)\\C=C/C(=O)O.O=C(CCn1c(CN2CCN(C\\C=C\\c3ccccc3)CC2)nc4ccccc14)c5occc5,OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O.O=C(CCn1c(CN2CCN(C\C=C\c3ccccc3)CC2)nc4ccccc14)c5occc5,"InChI=1/C28H30N4O2.2C4H4O4/c33-26(27-13-7-21-34-27)14-16-32-25-12-5-4-11-24(25)29-28(32)22-31-19-17-30(18-20-31)15-6-10-23-8-2-1-3-9-23;2*5-3(6)1-2-4(7)8/h1-13,21H,14-20,22H2;2*1-2H,(H,5,6)(H,7,8)",C28H30N4O2.2C4H4O4,,,,,,DDYRUOXRYVBENR-NAVXNTSPSA-N,,,,,,,,,,,
100.056.460,262-125-9,60250-80-8,2-methylhexyl methacrylate,2-methylhexyl methacrylate,CCCCC(C)COC(=O)C(=C)C,CCCCC(C)COC(=O)C(=C)C,"InChI=1/C11H20O2/c1-5-6-7-10(4)8-13-11(12)9(2)3/h10H,2,5-8H2,1,3-4H3",C11H20O2,,,,,,KQOAGTHDNCRFCU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.461,262-126-4,60251-13-0,"2,2-dimethylpropane-1,3-diyl bis(3-hydroxypivalate)","2,2-dimethylpropane-1,3-diyl bis(3-hydroxy-2,2-dimethylpropanoate)",CC(C)(COC(=O)C(C)(C)CO)COC(=O)C(C)(C)CO,CC(C)(COC(=O)C(C)(C)CO)COC(=O)C(C)(C)CO,"InChI=1/C15H28O6/c1-13(2,9-20-11(18)14(3,4)7-16)10-21-12(19)15(5,6)8-17/h16-17H,7-10H2,1-6H3",C15H28O6,,,,,,ZORAMBBZXQQEPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.805,263-606-6,62570-50-7,"1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxoanthracene-2-carbonitrile","1-amino-4-(ethylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carbonitrile",CCNc1cc(C#N)c(N)c2C(=O)c3ccccc3C(=O)c12,CCNc1cc(C#N)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H13N3O2/c1-2-20-12-7-9(8-18)15(19)14-13(12)16(21)10-5-3-4-6-11(10)17(14)22/h3-7,20H,2,19H2,1H3",C17H13N3O2,,,,,,ATXPWKWYLDEURI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.806,263-607-1,62571-86-2,Captopril,1-(2-methyl-3-sulfanylpropanoyl)-L-proline,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)",C9H15NO3S,,,,,,FAKRSMQSSFJEIM-RQJHMYQMSA-N,Positive/Negative,SM861901,[M+H]+,HCD35,116.0706:70.0652:75.0263,CASMI_2016,SM861951,[M-H]-,HCD35,182.0823:216.0704:138.0926,CASMI_2016
100.057.808,263-609-2,62572-83-2,"1,3,5-triazine-2,4,6-triamine monosulphate","1,3,5-triazine-2,4,6-triamine sulfate",Nc1nc(N)nc(N)n1.OS(=O)(=O)O,Nc1nc(N)nc(N)n1.OS(=O)(=O)O,"InChI=1/C3H6N6.H2O4S/c4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h(H6,4,5,6,7,8,9);(H2,1,2,3,4)",C3H6N6.H2O4S,,,,,,LTURHSAEWJPFAA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.815,263-617-6,62587-77-3,Methyl 2-bromotetradecenoate,methyl 2-bromotetradec-2-enoate,COC(=O)C(Br)=CCCCCCCCCCCC,COC(=O)C(Br)=CCCCCCCCCCCC,"InChI=1/C15H27BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h13H,3-12H2,1-2H3",C15H27BrO2,,,,,,VAAWVOQSVKBUKM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.827,263-630-7,62609-83-0,"1,3,3-trimethyl-2-[3-[1-methylanilino-4,6-di-p-tolyl-1H-pyridin-2-ylidene]prop-1-enyl]-3H-indolium iodide","2-{3-[4,6-bis(4-methylphenyl)-1-[(2-methylphenyl)amino]pyridin-2(1H)-ylidene]prop-1-en-1-yl}-1,3,3-trimethyl-3H-indolium iodide",[I-].C[N+]=6c1ccccc1C(C)(C)C=6C=CC=C4\\C=C(/C=C(/c2ccc(C)cc2)N4Nc3ccccc3C)c5ccc(C)cc5,[I-].C[N+]=6c1ccccc1C(C)(C)C=6C=CC=C4\C=C(/C=C(/c2ccc(C)cc2)N4Nc3ccccc3C)c5ccc(C)cc5,"InChI=1/C40H40N3.HI/c1-28-18-22-31(23-19-28)33-26-34(13-11-17-39-40(4,5)35-14-8-10-16-37(35)42(39)6)43(41-36-15-9-7-12-30(36)3)38(27-33)32-24-20-29(2)21-25-32;/h7-27,41H,1-6H3;1H/q+1;/p-1",C40H40N3.I,,,,,,KBPXLYPIBPBLTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.832,263-635-4,62609-88-5,2-(3-pentadecylphenoxy)butyryl chloride,2-(3-pentadecylphenoxy)butanoyl chloride,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Cl)c1,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Cl)c1,"InChI=1/C25H41ClO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-24(4-2)25(26)27/h17,19-21,24H,3-16,18H2,1-2H3",C25H41ClO2,,,,,,ZTVBCGCJXWTUIA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.977,257-194-7,51419-12-6,4-[(phenylsulphonyl)oxy]phthalic acid,4-[(phenylsulfonyl)oxy]phthalic acid,OC(=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1C(=O)O,OC(=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1C(=O)O,"InChI=1/C14H10O7S/c15-13(16)11-7-6-9(8-12(11)14(17)18)21-22(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)",C14H10O7S,,,,,,HOWKEJQAUVTCTI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.978,257-195-2,51420-71-4,"5,7-dimethyl-1,8-naphthyridin-2(1H)-one","5,7-dimethyl-1,8-naphthyridin-2(1H)-one",Cc1cc(C)c2C=CC(=O)Nc2n1,Cc1cc(C)c2C=CC(=O)Nc2n1,"InChI=1/C10H10N2O/c1-6-5-7(2)11-10-8(6)3-4-9(13)12-10/h3-5H,1-2H3,(H,11,12,13)",C10H10N2O,,,,,,MSEDGUHRFPAFFW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.982,257-199-4,51431-08-4,(R)-[2-chloro-1-(4-hydroxyphenyl)-2-oxoethyl]ammonium chloride,2-chloro-1-(4-hydroxyphenyl)-2-oxoethanaminium chloride,[Cl-].[NH3+][C@@H](C(=O)Cl)c1ccc(O)cc1,[Cl-].[NH3+][C@@H](C(=O)Cl)c1ccc(O)cc1,"InChI=1/C8H8ClNO2.ClH/c9-8(12)7(10)5-1-3-6(11)4-2-5;/h1-4,7,11H,10H2;1H",C8H8ClNO2.ClH,,,,,,MRFJAULKKHVIGF-OGFXRTJISA-N,,,,,,,,,,,
100.051.984,257-201-3,51436-99-8,4-bromo-2-fluorotoluene,4-bromo-2-fluoro-1-methylbenzene,Cc1ccc(Br)cc1F,Cc1ccc(Br)cc1F,"InChI=1/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3",C7H6BrF,,,,,,YZFVUQSAJMLFOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.989,257-207-6,51441-65-7,Trimethyl[2-[(2-methyl-1-oxoallyl)amino]propyl]ammonium methyl sulphate,"2-(methacryloylamino)-N,N,N-trimethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].CC(C[N+](C)(C)C)NC(=O)C(=C)C,COS(=O)(=O)[O-].CC(C[N+](C)(C)C)NC(=O)C(=C)C,"InChI=1/C10H20N2O.CH4O4S/c1-8(2)10(13)11-9(3)7-12(4,5)6;1-5-6(2,3)4/h9H,1,7H2,2-6H3;1H3,(H,2,3,4)",C10H21N2O.CH3O4S,,,,,,IWQBMGQYDRKEHS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.998,257-217-0,51460-26-5,"Sodium 5-(carbamoylhydrazono)-2,3,5,6-tetrahydro-1-methyl-6-oxo-1H-indole-2-sulphonate","sodium 5-(carbamoylhydrazono)-1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-2-sulfonate",[Na+].NC(=O)NN=C1\\C=C2\\CC(N(C)C2=C\\C1=O)S([O-])(=O)=O,[Na+].NC(=O)NN=C1\C=C2\CC(N(C)C2=C\C1=O)S([O-])(=O)=O,"InChI=1/C10H12N4O5S.Na/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);/q;+1/p-1",C10H12N4O5S.Na,,,,,,HLFCZZKCHVSOAP-UHFFFAOYSA-M,,,,,,,,,,,
100.053.750,259-145-5,54396-44-0,3-(trifluoromethyl)-o-toluidine,2-methyl-3-(trifluoromethyl)aniline,Cc1c(N)cccc1C(F)(F)F,Cc1c(N)cccc1C(F)(F)F,"InChI=1/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3",C8H8F3N,,,,,,TWLDBACVSHADLI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.756,259-151-8,54401-87-5,"Anthra[9,1-bc]naphth[3,2,1-kl]acridine-5,13-dione","anthra[9,1-bc]naphtho[3,2,1-kl]acridine-5,13-dione",O=C1c2ccccc2c3cc4c5c6ccccc6C(=O)c7cccc(nc4c8cccc1c38)c57,O=C1c2ccccc2c3cc4c5c6ccccc6C(=O)c7cccc(nc4c8cccc1c38)c57,InChI=1/C31H15NO2/c33-30-18-9-3-1-7-16(18)23-15-24-27-17-8-2-4-10-19(17)31(34)22-13-6-14-25(28(22)27)32-29(24)20-11-5-12-21(30)26(20)23/h1-15H,C31H15NO2,,,,,,QGCBXDYRQDABNB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.758,259-153-9,54405-64-0,"Dihydro-3-(2-tetradecenyl)furan-2,5-dione","3-tetradec-2-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1CC=CCCCCCCCCCCC,O=C1OC(=O)CC1CC=CCCCCCCCCCCC,"InChI=1/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h12-13,16H,2-11,14-15H2,1H3",C18H30O3,,,,,,UCXPNVVUUNXKPX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.943,253-856-4,38264-80-1,"N'-ethyl-N'-(2-methoxyethyl)-2-methylbenzene-1,4-diamine","N~4~-ethyl-N~4~-(2-methoxyethyl)-2-methylbenzene-1,4-diamine",CCN(CCOC)c1ccc(N)c(C)c1,CCN(CCOC)c1ccc(N)c(C)c1,"InChI=1/C12H20N2O/c1-4-14(7-8-15-3)11-5-6-12(13)10(2)9-11/h5-6,9H,4,7-8,13H2,1-3H3",C12H20N2O,,,,,,FFAJEKUNEVVYCW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.946,253-860-6,38284-38-7,4-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-3-buten-2-one,4-bicyclo[2.2.1]hept-5-en-2-yl-3-methylbut-3-en-2-one,CC(=O)C(C)=CC2CC1/C=C\\C2C1,CC(=O)C(C)=CC2CC1/C=C\C2C1,"InChI=1/C12H16O/c1-8(9(2)13)5-12-7-10-3-4-11(12)6-10/h3-5,10-12H,6-7H2,1-2H3",C12H16O,,,,,,MSRRPNTUWGQZMN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.954,253-869-5,38303-23-0,"4,5,6,7,8,9,10,11,12,13-decahydrocyclododecaoxazole","4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]oxazole",C1CCCCCc2ncoc2CCCC1,C1CCCCCc2ncoc2CCCC1,"InChI=1/C13H21NO/c1-2-4-6-8-10-13-12(14-11-15-13)9-7-5-3-1/h11H,1-10H2",C13H21NO,,,,,,LUVGCXAXOHXTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.957,253-872-1,38304-28-8,Disodium octylphosphonate,disodium octylphosphonate,[Na+].[Na+].CCCCCCCCP(=O)([O-])[O-],[Na+].[Na+].CCCCCCCCP(=O)([O-])[O-],"InChI=1/C8H19O3P.2Na/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2",C8H19O3P.2Na,,,,,,KBQXYXLZUWULEL-UHFFFAOYSA-L,,,,,,,,,,,
100.048.958,253-873-7,38304-52-8,"3,3'-[2-(oxiranylmethoxy)propane-1,3-diyl]bis[5,5-dimethyl-1-(oxiranylmethyl)imidazolidine-2,4-dione]","3,3'-[2-(oxiran-2-ylmethoxy)propane-1,3-diyl]bis[5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione]",CC1(C)N(CC2CO2)C(=O)N(CC(CN3C(=O)N(CC4CO4)C(C)(C)C3=O)OCC5CO5)C1=O,CC1(C)N(CC2CO2)C(=O)N(CC(CN3C(=O)N(CC4CO4)C(C)(C)C3=O)OCC5CO5)C1=O,"InChI=1/C22H32N4O8/c1-21(2)17(27)23(19(29)25(21)7-14-9-32-14)5-13(31-11-16-12-34-16)6-24-18(28)22(3,4)26(20(24)30)8-15-10-33-15/h13-16H,5-12H2,1-4H3",C22H32N4O8,,,,,,RXBBSTXUVVVWRC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.762,263-558-6,62476-15-7,"4-chloro-N-ethylbenzene-1,2-diamine","4-chloro-N~1~-ethylbenzene-1,2-diamine",CCNc1ccc(Cl)cc1N,CCNc1ccc(Cl)cc1N,"InChI=1/C8H11ClN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3",C8H11ClN2,,,,,,BYXHQRLOVDLFCT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.652,265-637-0,65214-86-0,4-(diphenylmethoxy)piperidinium chloride,4-(diphenylmethoxy)piperidinium chloride,[Cl-].C1CC(CC[NH2+]1)OC(c2ccccc2)c3ccccc3,[Cl-].C1CC(CC[NH2+]1)OC(c2ccccc2)c3ccccc3,"InChI=1/C18H21NO.ClH/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17;/h1-10,17-19H,11-14H2;1H",C18H21NO.ClH,,,,,,HXROHDYGZFFVMO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.657,265-642-8,65229-10-9,"4,8,11,15-tetraazaoctadecanedinitrile","4,8,11,15-tetraazaoctadecane-1,18-dinitrile",N#CCCNCCCNCCNCCCNCCC#N,N#CCCNCCCNCCNCCCNCCC#N,"InChI=1/C14H28N6/c15-5-1-7-17-9-3-11-19-13-14-20-12-4-10-18-8-2-6-16/h17-20H,1-4,7-14H2",C14H28N6,,,,,,SBZRWWFPJAPOKC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.667,265-653-8,65242-72-0,1-methylheptyl (S)-4-[4-(hexyloxy)benzoyl]benzoate,1-methylheptyl 4-[4-(hexyloxy)benzoyl]benzoate,CCCCCCOc1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O[C@@H](C)CCCCCC,CCCCCCOc1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O[C@@H](C)CCCCCC,"InChI=1/C28H38O4/c1-4-6-8-10-12-22(3)32-28(30)25-15-13-23(14-16-25)27(29)24-17-19-26(20-18-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3",C28H38O4,,,,,,ATPGHKPPEFHGKX-QFIPXVFZSA-N,,,,,,,,,,,
100.059.674,265-661-1,65262-96-6,3-chloro-5-methoxyphenol,3-chloro-5-methoxyphenol,COc1cc(O)cc(Cl)c1,COc1cc(O)cc(Cl)c1,"InChI=1/C7H7ClO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,1H3",C7H7ClO2,,,,,,LZVYZZFCAMPFOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.684,265-672-1,65277-54-5,Disodium 1-[2-[(12-hydroxy-1-oxooctadec-9-enyl)amino]ethyl] 2-sulphosuccinate,-,[Na+].[Na+].O=C(OCCNC(=O)CCCCCCCC=CCC(O)CCCCCC)C(CC([O-])=O)S(O)(=O)=O,[Na+].[Na+].O=C(OCCNC(=O)CCCCCCCC=CCC(O)CCCCCC)C(CC([O-])=O)S(O)(=O)=O,"InChI=1/C24H43NO9S.2Na/c1-2-3-4-11-14-20(26)15-12-9-7-5-6-8-10-13-16-22(27)25-17-18-34-24(30)21(19-23(28)29)35(31,32)33;;/h9,12,20-21,26H,2-8,10-11,13-19H2,1H3,(H,25,27)(H,28,29)(H,31,32,33);;/q;2*+1/p-1",C24H43NO9S.2Na,,,,,,LRBYMRRGKYPBDR-UHFFFAOYSA-M,,,,,,,,,,,
100.059.689,265-677-9,65291-43-2,Bis(2-methylpropyl) mercaptosuccinate,diisobutyl 2-sulfanylsuccinate,CC(C)COC(=O)CC(S)C(=O)OCC(C)C,CC(C)COC(=O)CC(S)C(=O)OCC(C)C,"InChI=1/C12H22O4S/c1-8(2)6-15-11(13)5-10(17)12(14)16-7-9(3)4/h8-10,17H,5-7H2,1-4H3",C12H22O4S,,,,,,UEOGGTWLWHHFID-UHFFFAOYSA-N,,,,,,,,,,,
100.059.691,265-680-5,65293-96-1,"4,4'-(ethylenedinitrilo)dibutan-2-ol","4,4'-(ethane-1,2-diyldinitrilo)dibutan-2-ol",CC(O)CC=NCCN=CCC(C)O,CC(O)CC=NCCN=CCC(C)O,"InChI=1/C10H20N2O2/c1-9(13)3-5-11-7-8-12-6-4-10(2)14/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3",C10H20N2O2,,,,,,AYXBIYDHXJERBN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.955,268-171-6,68016-05-7,4-[[5-(carbamoyl)-2-methoxyphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide,4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthamide,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(N)=O,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(N)=O,"InChI=1/C25H20N4O4/c1-33-21-12-11-16(24(26)31)14-20(21)28-29-22-18-10-6-5-7-15(18)13-19(23(22)30)25(32)27-17-8-3-2-4-9-17/h2-14,30H,1H3,(H2,26,31)(H,27,32)",C25H20N4O4,,,,,,ZWPGSNPNNSTONK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.957,268-173-7,68016-08-0,Sodium 3-carboxylato-1-[2-hydroxy-3-[4-(hydroxysulphonatomethyl)phenoxy]propyl]pyridinium,sodium 1-(2-hydroxy-3-{4-[hydroxy(sulfonato)methyl]phenoxy}propyl)pyridinium-3-carboxylate,[Na+].OC(COc1ccc(cc1)C(O)S(=O)(=O)[O-])C[n+]2cccc(c2)C(=O)[O-],[Na+].OC(COc1ccc(cc1)C(O)S(=O)(=O)[O-])C[n+]2cccc(c2)C(=O)[O-],"InChI=1/C16H17NO8S.Na/c18-13(9-17-7-1-2-12(8-17)15(19)20)10-25-14-5-3-11(4-6-14)16(21)26(22,23)24;/h1-8,13,16,18,21H,9-10H2,(H-,19,20,22,23,24);/q;+1/p-1",C16H17NO8S.Na,,,,,,HDCCHEFIBNGPMS-UHFFFAOYSA-M,,,,,,,,,,,
100.061.963,268-180-5,68025-20-7,"Disodium 5-[[6-anilino-4-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[6-anilino-4-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]vinyl]benzenesulphonate","disodium 5-({4-anilino-6-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl}amino)-2-[2-(4-{[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)vinyl]benzenesulfonate",[Na+].[Na+].CC(O)COc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(OCCOCCO)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].CC(O)COc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(OCCOCCO)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C39H40N10O11S2.2Na/c1-25(51)24-60-39-48-35(41-29-10-6-3-7-11-29)45-37(49-39)43-31-17-15-27(33(23-31)62(55,56)57)13-12-26-14-16-30(22-32(26)61(52,53)54)42-36-44-34(40-28-8-4-2-5-9-28)46-38(47-36)59-21-20-58-19-18-50;;/h2-17,22-23,25,50-51H,18-21,24H2,1H3,(H,52,53,54)(H,55,56,57)(H2,40,42,44,46,47)(H2,41,43,45,48,49);;/q;2*+1/p-2",C39H40N10O11S2.2Na,,,,,,MPXKRGINDHTNJZ-HPAIREQNSA-L,,,,,,,,,,,
100.061.965,268-182-6,68025-24-1,"4-nitrotoluene-2-diazonium chloride, compound with zinc chloride","4-nitrotoluene-2-diazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].Cc1ccc(cc1[N+]#N)[N+](=O)[O-],[Cl-].[Cl-].[Cl-].[Zn+2].Cc1ccc(cc1[N+]#N)[N+](=O)[O-],"InChI=1/C7H6N3O2.3ClH.Zn/c1-5-2-3-6(10(11)12)4-7(5)9-8;;;;/h2-4H,1H3;3*1H;/q+1;;;;+2/p-3",C7H6N3O2.xCl2Zn.Cl,,,,,,WMMBEKDBHSGOHA-UHFFFAOYSA-K,,,,,,,,,,,
100.058.343,264-197-7,63451-35-4,"Trisodium 3-hydroxy-4-[(2-hydroxy-4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 3-hydroxy-4-[(2-hydroxy-4-sulfonato-1-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(O)c(N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(O)c(N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34,"InChI=1/C20H14N2O11S3.3Na/c23-15-9-16(35(28,29)30)13-3-1-2-4-14(13)18(15)21-22-19-12-6-5-11(34(25,26)27)7-10(12)8-17(20(19)24)36(31,32)33;;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3",C20H14N2O11S3.3Na,,,,,,AUIINJJXRXMPGT-UHFFFAOYSA-K,,,,,,,,,,,
100.058.344,264-198-2,63451-38-7,(2-ethylhexylidene)benzohydrazide,N'-(2-ethylhexylidene)benzohydrazide,O=C(NN=CC(CC)CCCC)c1ccccc1,O=C(NN=CC(CC)CCCC)c1ccccc1,"InChI=1/C15H22N2O/c1-3-5-9-13(4-2)12-16-17-15(18)14-10-7-6-8-11-14/h6-8,10-13H,3-5,9H2,1-2H3,(H,17,18)",C15H22N2O,,,,,,XSVGJRPPSQWSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.347,264-201-7,63451-44-5,"2,6-dinonyl-p-cresol","4-methyl-2,6-dinonylphenol",CCCCCCCCCc1cc(C)cc(CCCCCCCCC)c1O,CCCCCCCCCc1cc(C)cc(CCCCCCCCC)c1O,"InChI=1/C25H44O/c1-4-6-8-10-12-14-16-18-23-20-22(3)21-24(25(23)26)19-17-15-13-11-9-7-5-2/h20-21,26H,4-19H2,1-3H3",C25H44O,,,,,,UXMKUNDWNZNECH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.352,264-206-4,63452-61-9,4-tert-butyl-2-ethylphenol,4-tert-butyl-2-ethylphenol,CCc1cc(ccc1O)C(C)(C)C,CCc1cc(ccc1O)C(C)(C)C,"InChI=1/C12H18O/c1-5-9-8-10(12(2,3)4)6-7-11(9)13/h6-8,13H,5H2,1-4H3",C12H18O,,,,,,ZYPDAQYUHJXYKX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.247,266-292-9,66264-97-9,(+)-[2-[4-(benzoyloxy)-3-(methylthio)phenyl]-2-oxoethyl][3-(4-methoxyphenyl)-1-methylpropyl]ammonium bromide,N-{2-[4-(benzoyloxy)-3-(methylsulfanyl)phenyl]-2-oxoethyl}-4-(4-methoxyphenyl)butan-2-aminium bromide,[Br-].COc1ccc(CCC(C)[NH2+]CC(=O)c2ccc(OC(=O)c3ccccc3)c(SC)c2)cc1,[Br-].COc1ccc(CCC(C)[NH2+]CC(=O)c2ccc(OC(=O)c3ccccc3)c(SC)c2)cc1,"InChI=1/C27H29NO4S.BrH/c1-19(9-10-20-11-14-23(31-2)15-12-20)28-18-24(29)22-13-16-25(26(17-22)33-3)32-27(30)21-7-5-4-6-8-21;/h4-8,11-17,19,28H,9-10,18H2,1-3H3;1H",C27H29NO4S.BrH,,,,,,ARYLHJDBGBQPIV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.876,266-984-0,67728-26-1,N-(4-amino-2-chlorophenyl)-1-hydroxynaphthalene-2-carboxamide,N-(4-amino-2-chlorophenyl)-1-hydroxy-2-naphthamide,Nc1ccc(NC(=O)c2ccc3ccccc3c2O)c(Cl)c1,Nc1ccc(NC(=O)c2ccc3ccccc3c2O)c(Cl)c1,"InChI=1/C17H13ClN2O2/c18-14-9-11(19)6-8-15(14)20-17(22)13-7-5-10-3-1-2-4-12(10)16(13)21/h1-9,21H,19H2,(H,20,22)",C17H13ClN2O2,,,,,,WCILLABDKIZPNK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.877,266-985-6,67730-09-0,N-ethyl-5-nitropyridin-2-amine,N-ethyl-5-nitropyridin-2-amine,CCNc1ccc(cn1)[N+](=O)[O-],CCNc1ccc(cn1)[N+](=O)[O-],"InChI=1/C7H9N3O2/c1-2-8-7-4-3-6(5-9-7)10(11)12/h3-5H,2H2,1H3,(H,8,9)",C7H9N3O2,,,,,,XEGSKOYSJGIUCY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.879,266-987-7,67746-25-2,Butyl (methylthio)acetate,butyl (methylsulfanyl)acetate,CCCCOC(=O)CSC,CCCCOC(=O)CSC,"InChI=1/C7H14O2S/c1-3-4-5-9-7(8)6-10-2/h3-6H2,1-2H3",C7H14O2S,,,,,,QXJSYAFLDDZIQI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.880,266-988-2,67746-27-4,"1-(1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-2-naphthyl)ethan-1-one","1-(8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone",CC(=O)C1CCC2=C(C1)C(C)(C)CCC2,CC(=O)C1CCC2=C(C1)C(C)(C)CCC2,"InChI=1/C14H22O/c1-10(15)12-7-6-11-5-4-8-14(2,3)13(11)9-12/h12H,4-9H2,1-3H3",C14H22O,,,,,,OUKQZIZZUWSLMY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.894,267-003-9,67759-33-5,"2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diyl] tetraacetate",3-acetoxy-2-{[3-acetoxy-2-(acetoxymethyl)-2-(hydroxymethyl)propoxy]methyl}-2-(hydroxymethyl)propyl acetate (non-preferred name),CC(=O)OCC(CO)(COCC(CO)(COC(=O)C)COC(=O)C)COC(=O)C,CC(=O)OCC(CO)(COCC(CO)(COC(=O)C)COC(=O)C)COC(=O)C,"InChI=1/C18H30O11/c1-13(21)26-9-17(5-19,10-27-14(2)22)7-25-8-18(6-20,11-28-15(3)23)12-29-16(4)24/h19-20H,5-12H2,1-4H3",C18H30O11,,,,,,ICOIDKBIUHEORD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.762,260-257-1,56554-53-1,"Propane-1,2,3-triyl 3,5,5-trimethylhexanoate","propane-1,2,3-triyl tris(3,5,5-trimethylhexanoate)",CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3",C30H56O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13674,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.762,QNESDXMHQYMNGD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.764,260-259-2,56558-21-5,"Methylenebis[(2-methyl-4,1-cyclohexanediyl)iminocarbonyloxy(1-methyl-2,1-ethanediyl)] diacrylate",2-{[(1-{[4-({[2-(acryloyloxy)propoxy]carbonyl}amino)-3-methylcyclohexyl]methyl}-2-methylcyclohexyl)carbamoyl]oxy}-1-methylethyl acrylate,CC(COC(=O)NC1CCC(CC2(CCCCC2C)NC(=O)OCC(C)OC(=O)C=C)CC1C)OC(=O)C=C,CC(COC(=O)NC1CCC(CC2(CCCCC2C)NC(=O)OCC(C)OC(=O)C=C)CC1C)OC(=O)C=C,"InChI=1/C29H46N2O8/c1-7-25(32)38-21(5)17-36-27(34)30-24-13-12-23(15-19(24)3)16-29(14-10-9-11-20(29)4)31-28(35)37-18-22(6)39-26(33)8-2/h7-8,19-24H,1-2,9-18H2,3-6H3,(H,30,34)(H,31,35)",C29H46N2O8,,,,,,PEZCIMHTNYHOSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.835,263-639-6,62613-80-3,"Ethyl 2,4-dioxopyrrolidine-1-acetate","ethyl (2,4-dioxopyrrolidin-1-yl)acetate",CCOC(=O)CN1CC(=O)CC1=O,CCOC(=O)CN1CC(=O)CC1=O,"InChI=1/C8H11NO4/c1-2-13-8(12)5-9-4-6(10)3-7(9)11/h2-5H2,1H3",C8H11NO4,,,,,,SZFQKAPNPSIRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.837,263-641-7,62614-51-1,"4-cyanophenyl (S)-4'-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate",4-cyanophenyl 4'-(2-methylbutyl)biphenyl-4-carboxylate,CC[C@H](C)Cc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N,CC[C@H](C)Cc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N,"InChI=1/C25H23NO2/c1-3-18(2)16-19-4-8-21(9-5-19)22-10-12-23(13-11-22)25(27)28-24-14-6-20(17-26)7-15-24/h4-15,18H,3,16H2,1-2H3",C25H23NO2,,,,,,KSTDUUFIIKDDDT-SFHVURJKSA-N,,,,,,,,,,,
100.057.845,263-650-6,62625-21-2,"Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)phenolate] S,S-dioxide","sodium hydrogen 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenolate)",[Na+].CC(C)c1cc(c(C)cc1[O-])C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c([O-])cc4C,[Na+].CC(C)c1cc(c(C)cc1[O-])C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c([O-])cc4C,"InChI=1/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-2",C27H30O5S.Na,,,,,,BAVBEHWEOJMHDS-UHFFFAOYSA-L,,,,,,,,,,,
100.059.740,265-733-2,65401-83-4,4-(2-formylvinyl)-2-methoxyphenyl acetate,2-methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate,COc1cc(\\C=C\\C=O)ccc1OC(=O)C,COc1cc(\C=C\C=O)ccc1OC(=O)C,"InChI=1/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3",C12H12O4,,,,,,VEKAJHBFBMWJKI-ONEGZZNKSA-N,,,,,,,,,,,
100.059.741,265-734-8,65402-16-6,"2-[4-[[4-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl]azo]benzoyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonic acid","2-{4-[(4-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzoyl)amino]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonic acid",OS(=O)(=O)C/C5=C(\\C)/C(/N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S(O)(=O)=O)=C(/O)N(CC)C5=O,OS(=O)(=O)C/C5=C(\C)/C(/N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S(O)(=O)=O)=C(/O)N(CC)C5=O,"InChI=1/C30H27N5O9S3/c1-4-35-29(37)22(15-46(39,40)41)17(3)24(30(35)38)34-33-21-12-6-18(7-13-21)27(36)31-20-10-8-19(9-11-20)28-32-23-14-5-16(2)26(25(23)45-28)47(42,43)44/h5-14,38H,4,15H2,1-3H3,(H,31,36)(H,39,40,41)(H,42,43,44)",C30H27N5O9S3,,,,,,XCACOLZBPNOWJP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.742,265-735-3,65402-65-5,"4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylic acid","4-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylic acid",CC1(C)CC(O)(CC(C)(C)N1)C(=O)O,CC1(C)CC(O)(CC(C)(C)N1)C(=O)O,"InChI=1/C10H19NO3/c1-8(2)5-10(14,7(12)13)6-9(3,4)11-8/h11,14H,5-6H2,1-4H3,(H,12,13)",C10H19NO3,,,,,,UWDMKTDPDJCJOP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.500,267-671-1,67905-50-4,2-[(3-methylundecyl)amino]ethyl methacrylate,2-[(3-methylundecyl)amino]ethyl methacrylate,CCCCCCCCC(C)CCNCCOC(=O)C(=C)C,CCCCCCCCC(C)CCNCCOC(=O)C(=C)C,"InChI=1/C18H35NO2/c1-5-6-7-8-9-10-11-17(4)12-13-19-14-15-21-18(20)16(2)3/h17,19H,2,5-15H2,1,3-4H3",C18H35NO2,,,,,,TVZYQAQDHXWCER-UHFFFAOYSA-N,,,,,,,,,,,
100.061.523,267-696-8,67906-27-8,"6,7-dichloro-1,4-bis[(5,6,7,8-tetrahydro-1-naphthyl)amino]anthraquinone","6,7-dichloro-1,4-bis(5,6,7,8-tetrahydronaphthalen-1-ylamino)-9,10-anthraquinone",Clc1cc2C(=O)c3c(Nc4cccc5CCCCc45)ccc(Nc6cccc7CCCCc67)c3C(=O)c2cc1Cl,Clc1cc2C(=O)c3c(Nc4cccc5CCCCc45)ccc(Nc6cccc7CCCCc67)c3C(=O)c2cc1Cl,"InChI=1/C34H28Cl2N2O2/c35-25-17-23-24(18-26(25)36)34(40)32-30(38-28-14-6-10-20-8-2-4-12-22(20)28)16-15-29(31(32)33(23)39)37-27-13-5-9-19-7-1-3-11-21(19)27/h5-6,9-10,13-18,37-38H,1-4,7-8,11-12H2",C34H28Cl2N2O2,,,,,,MKOPRQXPAAQPSE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.912,261-524-5,58965-11-0,"1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-butylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,CCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,"InChI=1/C24H22N2O5S/c1-2-3-6-14-9-11-15(12-10-14)26-18-13-19(32(29,30)31)22(25)21-20(18)23(27)16-7-4-5-8-17(16)24(21)28/h4-5,7-13,26H,2-3,6,25H2,1H3,(H,29,30,31)",C24H22N2O5S,,,,,,RVKLSGHATZZOCO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.914,261-526-6,58965-66-5,"1,2,4,5-tetrabromo-3,6-bis(pentabromophenoxy)benzene","1,1'-[(2,3,5,6-tetrabromo-1,4-phenylene)bis(oxy)]bis(pentabromobenzene)",Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Oc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Oc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br,InChI=1/C18Br14O2/c19-1-3(21)7(25)15(8(26)4(1)22)33-17-11(29)13(31)18(14(32)12(17)30)34-16-9(27)5(23)2(20)6(24)10(16)28,C18Br14O2,,,,,,YMIUHIAWWDYGGU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.918,261-530-8,58976-65-1,"N,N-bis(carboxymethyl)-L-glutamic acid","N,N-bis(carboxymethyl)-L-glutamic acid",OC(=O)CC[C@H](N(CC(=O)O)CC(=O)O)C(=O)O,OC(=O)CC[C@H](N(CC(=O)O)CC(=O)O)C(=O)O,"InChI=1/C9H13NO8/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",C9H13NO8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17478,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.918,VCVKIIDXVWEWSZ-YFKPBYRVSA-N,,,,,,,,,,,
100.048.967,253-883-1,38325-24-5,"3-[(2,5-dihydro-2-methyl-3-furyl)thio]tetrahydro-2-methylfuran-3-thiol","2-methyl-3-[(2-methyl-2,5-dihydrofuran-3-yl)sulfanyl]tetrahydrofuran-3-thiol (non-preferred name)",CC1OCC=C1SC2(S)CCOC2C,CC1OCC=C1SC2(S)CCOC2C,"InChI=1/C10H16O2S2/c1-7-9(3-5-11-7)14-10(13)4-6-12-8(10)2/h3,7-8,13H,4-6H2,1-2H3",C10H16O2S2,,,,,,AGRIHDPBJMXWRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.975,253-892-0,38344-88-6,"Decyl hydrogen sulphate, manganese(2+) salt",manganese(2+) bis(dodecyl sulfate),[Mn++].CCCCCCCCCCCCOS([O-])(=O)=O.CCCCCCCCCCCCOS([O-])(=O)=O,[Mn++].CCCCCCCCCCCCOS([O-])(=O)=O.CCCCCCCCCCCCOS([O-])(=O)=O,"InChI=1/2C12H26O4S.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2",C12H26O4S.1/2Mn,,,,,,XNOVTKYXONNKRE-UHFFFAOYSA-L,,,,,,,,,,,
100.054.222,259-664-7,55484-54-3,"1,1-dimethylhydrazine dihydrochloride","1,1-dimethylhydrazine dihydrochloride",Cl.Cl.CN(C)N,Cl.Cl.CN(C)N,"InChI=1/C2H8N2.2ClH/c1-4(2)3;;/h3H2,1-2H3;2*1H",C2H8N2.2ClH,,,,,,PSGNJXUKKFEIAH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.223,259-665-2,55485-74-0,"N,N-diethyl-1,1-dimethyl-1-(pentafluorophenyl)silylamine","N,N-diethyl-1,1-dimethyl-1-(pentafluorophenyl)silanamine",CCN(CC)[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F,CCN(CC)[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C12H16F5NSi/c1-5-18(6-2)19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H2,1-4H3",C12H16F5NSi,,,,,,ZBVPABKIRWOTNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.234,259-677-8,55504-22-8,a-cyclohexylthiophen-3-acetonitrile,cyclohexyl(3-thienyl)acetonitrile,N#CC(C1CCCCC1)c2ccsc2,N#CC(C1CCCCC1)c2ccsc2,"InChI=1/C12H15NS/c13-8-12(11-6-7-14-9-11)10-4-2-1-3-5-10/h6-7,9-10,12H,1-5H2",C12H15NS,,,,,,LGYQFTRQQFYQBS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.235,259-678-3,55504-38-6,Methyl a-cyclohexylthiophen-2-acetate,methyl cyclohexyl(2-thienyl)acetate,COC(=O)C(C1CCCCC1)c2cccs2,COC(=O)C(C1CCCCC1)c2cccs2,"InChI=1/C13H18O2S/c1-15-13(14)12(11-8-5-9-16-11)10-6-3-2-4-7-10/h5,8-10,12H,2-4,6-7H2,1H3",C13H18O2S,,,,,,MIIGKLMBGRMWLT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.238,259-682-5,55510-03-7,"Tetrahydro-1,3,4,6-tetranitroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,3,4,6-tetranitrotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",[O-][N+](=O)N1C2C(N(C(=O)N2[N+](=O)[O-])[N+](=O)[O-])N(C1=O)[N+](=O)[O-],[O-][N+](=O)N1C2C(N(C(=O)N2[N+](=O)[O-])[N+](=O)[O-])N(C1=O)[N+](=O)[O-],InChI=1/C4H2N8O10/c13-3-5(9(15)16)1-2(7(3)11(19)20)8(12(21)22)4(14)6(1)10(17)18/h1-2H,C4H2N8O10,,,,,,HKTUDNFYVIXYSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.243,259-687-2,55514-14-2,3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate,"3-methyl-2-(methylsulfanyl)-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",CSc1sc2ccccc2[n+]1C.Cc3ccc(cc3)S(=O)(=O)[O-],CSc1sc2ccccc2[n+]1C.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C9H10NS2.C7H8O3S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C9H10NS2.C7H7O3S,,,,,,SGABZOJLSUJGFH-UHFFFAOYSA-M,,,,,,,,,,,
100.054.246,259-690-9,55524-84-0,"6-aminonaphthalene-1,3,5-trisulphonic acid","6-aminonaphthalene-1,3,5-trisulfonic acid",Nc1ccc2c(cc(cc2c1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc2c(cc(cc2c1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H9NO9S3/c11-8-2-1-6-7(10(8)23(18,19)20)3-5(21(12,13)14)4-9(6)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)",C10H9NO9S3,,,,,,ZBGXGVYIKJFNAT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.247,259-691-4,55524-89-5,"4,11-diamino-2,3-dihydro-3-imino-2-(3-methoxybutyl)-1H-naphth[2,3-f]isoindole-1,5,10-trione","4,11-diamino-3-imino-2-(3-methoxybutyl)-2,3-dihydro-1H-naphtho[2,3-f]isoindole-1,5,10-trione",COC(C)CCN1C(=N)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,COC(C)CCN1C(=N)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C21H20N4O4/c1-9(29-2)7-8-25-20(24)14-15(21(25)28)17(23)13-12(16(14)22)18(26)10-5-3-4-6-11(10)19(13)27/h3-6,9,24H,7-8,22-23H2,1-2H3",C21H20N4O4,,,,,,PLCUNNRCOLFNTM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.202,255-241-6,41145-84-0,Butyl 2-bromopropionate,butyl 2-bromopropanoate,CCCCOC(=O)C(C)Br,CCCCOC(=O)C(C)Br,"InChI=1/C7H13BrO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5H2,1-2H3",C7H13BrO2,,,,,,INMAEXGIVZJYIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.205,255-244-2,41157-62-4,Barium bis(p-octylphenolate),barium bis(4-octylphenolate),[Ba+2].CCCCCCCCc1ccc([O-])cc1.CCCCCCCCc2ccc([O-])cc2,[Ba+2].CCCCCCCCc1ccc([O-])cc1.CCCCCCCCc2ccc([O-])cc2,"InChI=1/2C14H22O.Ba/c2*1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h2*9-12,15H,2-8H2,1H3;/q;;+2/p-2",C14H22O.1/2Ba,,,,,,SCFXKMFVFQSCKX-UHFFFAOYSA-L,,,,,,,,,,,
100.061.966,268-183-1,68025-25-2,"5-chloro-2-methoxybenzenediazonium chloride, compound with zinc chloride","5-chloro-2-methoxybenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].COc1ccc(Cl)cc1[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].COc1ccc(Cl)cc1[N+]#N,"InChI=1/C7H6ClN2O.3ClH.Zn/c1-11-7-3-2-5(8)4-6(7)10-9;;;;/h2-4H,1H3;3*1H;/q+1;;;;+2/p-3",C7H6ClN2O.xCl2Zn.Cl,,,,,,UIWVSQADDIOMNZ-UHFFFAOYSA-K,,,,,,,,,,,
100.061.967,268-184-7,68025-26-3,"2,5-dichlorobenzenediazonium chloride, compound with zinc chloride","2,5-dichlorobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].Clc1ccc(Cl)c(c1)[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].Clc1ccc(Cl)c(c1)[N+]#N,InChI=1/C6H3Cl2N2.3ClH.Zn/c7-4-1-2-5(8)6(3-4)10-9;;;;/h1-3H;3*1H;/q+1;;;;+2/p-3,C6H3Cl2N2.xCl2Zn.Cl,,,,,,AFCLAQNPPWCNDL-UHFFFAOYSA-K,,,,,,,,,,,
100.056.375,262-032-3,60037-69-6,Tetradec-9-ynol,tetradec-9-yn-1-ol,CCCCC#CCCCCCCCCO,CCCCC#CCCCCCCCCO,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-4,7-14H2,1H3",C14H26O,,,,,,PYLWPDMWSQBLDR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.378,262-036-5,60045-27-4,3-phenylpropyl 3-phenylpropionate,3-phenylpropyl 3-phenylpropanoate,O=C(CCc1ccccc1)OCCCc2ccccc2,O=C(CCc1ccccc1)OCCCc2ccccc2,"InChI=1/C18H20O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2",C18H20O2,,,,,,KLDUFQGXXVNTDL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.381,262-039-1,60049-89-0,"2-amino-1,7-dihydro-6H-purin-6-one monohydrobromide","2-amino-1,9-dihydro-6H-purin-6-one hydrobromide",Br.NC1=Nc2[nH]cnc2C(=O)N1,Br.NC1=Nc2[nH]cnc2C(=O)N1,"InChI=1/C5H5N5O.BrH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H",C5H5N5O.BrH,,,,,,KJDXFEFPXNNAKP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.399,262-059-0,60111-51-5,"3-[(dimethylvinylsilyl)oxy]-3-hexyl-1,1,5,5-tetramethyl-1,5-divinyltrisiloxane","3-{[dimethyl(vinyl)silyl]oxy}-3-hexyl-1,1,5,5-tetramethyl-1,5-divinyltrisiloxane",CCCCCC[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C,CCCCCC[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C,"InChI=1/C18H40O3Si4/c1-11-15-16-17-18-25(19-22(5,6)12-2,20-23(7,8)13-3)21-24(9,10)14-4/h12-14H,2-4,11,15-18H2,1,5-10H3",C18H40O3Si4,,,,,,QBFMFGFJRBYQFF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.415,262-076-3,60142-96-3,Gabapentin,[1-(aminomethyl)cyclohexyl]acetic acid,NCC1(CC(=O)O)CCCCC1,NCC1(CC(=O)O)CCCCC1,"InChI=1/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)",C9H17NO2,,,,,,UGJMXCAKCUNAIE-UHFFFAOYSA-N,Positive/Negative,AU167801|AU167802|AU167803;EA256101|EA256102|EA256103|EA256104|EA256105|EA256106|EA256107|EA256108|EA256109|EA256110|EA256111|EA256112|EA256113|EA256114;TUE00341|TUE00342|TUE00343;UF411401|UF411402|UF411403|UF411404,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55,172.1327:154.1219:137.0955|154.1216:137.0956:172.1323|137.0955:154.1215:136.1104;154.1227:155.1066:172.1335|172.1334:154.1226:155.1066|172.1333:154.1227:137.0961|154.1228:172.1333:137.0961|154.1226:137.0961:119.0855|95.0855:154.1228:119.0855|95.0856:67.0543:91.0542|172.1334:154.1227:155.1067|172.1334:154.1228:137.0962|154.1228:172.1333:137.0962|154.1227:137.0961:119.0856|95.0856:154.1226:119.0855|95.0856:67.0543:91.0543|154.1228:155.1066:137.0961;154.1227:172.1332:137.096|55.0177:137.096:154.1226|67.0543:55.0177:55.0541;154.1228:137.0962:119.0856|95.0856:119.0856:91.0543|154.1227:155.1068:137.0963|154.1228:155.1068:137.0964,Athens_Univ;Eawag;Env_Anal_Chem_U_Tuebingen;UFZ,TUE00345|TUE00346|TUE00347,[M-H]-,NA10.0V|NA20.0V|NA40.0V,170.1189:152.1081|170.1187:152.1077|41.9977,Env_Anal_Chem_U_Tuebingen
100.057.763,263-559-1,62476-56-6,"2,6-dichloro-3-pyridylamine","2,6-dichloropyridin-3-amine",Nc1ccc(Cl)nc1Cl,Nc1ccc(Cl)nc1Cl,"InChI=1/C5H4Cl2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2",C5H4Cl2N2,,,,,,MJVZSRZTBDMYLX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.766,263-562-8,62476-62-4,1-chloro-2-(dichloromethyl)-3-fluorobenzene,1-chloro-2-(dichloromethyl)-3-fluorobenzene,Fc1cccc(Cl)c1C(Cl)Cl,Fc1cccc(Cl)c1C(Cl)Cl,"InChI=1/C7H4Cl3F/c8-4-2-1-3-5(11)6(4)7(9)10/h1-3,7H",C7H4Cl3F,,,,,,LQIXIKRJISFVEC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.773,263-570-1,62488-24-8,Isopentyl myristate,3-methylbutyl myristate,CCCCCCCCCCCCCC(=O)OCCC(C)C,CCCCCCCCCCCCCC(=O)OCCC(C)C,"InChI=1/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(20)21-17-16-18(2)3/h18H,4-17H2,1-3H3",C19H38O2,,,,,,AISCBZKHUSXEOC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.781,263-579-0,62509-87-9,"3-ethyl-2,5,6-trimethylbenzoxazolium iodide","3-ethyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]1c(C)oc2cc(C)c(C)cc12,[I-].CC[n+]1c(C)oc2cc(C)c(C)cc12,"InChI=1/C12H16NO.HI/c1-5-13-10(4)14-12-7-9(3)8(2)6-11(12)13;/h6-7H,5H2,1-4H3;1H/q+1;/p-1",C12H16NO.I,,,,,,QCJKBLIAOOLJMV-UHFFFAOYSA-M,,,,,,,,,,,
100.057.783,263-581-1,62518-75-6,"Dihydro-4-methyl-5-propylfuran-2,3-dione","4-methyl-5-propyldihydrofuran-2,3-dione",CCCC1OC(=O)C(=O)C1C,CCCC1OC(=O)C(=O)C1C,"InChI=1/C8H12O3/c1-3-4-6-5(2)7(9)8(10)11-6/h5-6H,3-4H2,1-2H3",C8H12O3,,,,,,NZOSBDYMPOYFNG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.788,263-586-9,62535-60-8,3-methyl-1-(p-tolyl)-1H-pyrazol-5-amine,3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-amine,Cc1ccc(cc1)n2nc(C)cc2N,Cc1ccc(cc1)n2nc(C)cc2N,"InChI=1/C11H13N3/c1-8-3-5-10(6-4-8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3",C11H13N3,,,,,,WQUNBEPKWJLYJD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.790,263-589-5,62551-57-9,"4-[5-bromo-3-[bromo(2-chlorophenyl)methyl]-2-thienyl]-3-(chloromethyl)-5-methyl-4H-1,2,4-triazole","4-{5-bromo-3-[bromo(2-chlorophenyl)methyl]-2-thienyl}-3-(chloromethyl)-5-methyl-4H-1,2,4-triazole",Cc1nnc(CCl)n1c2sc(Br)cc2C(Br)c3ccccc3Cl,Cc1nnc(CCl)n1c2sc(Br)cc2C(Br)c3ccccc3Cl,"InChI=1/C15H11Br2Cl2N3S/c1-8-20-21-13(7-18)22(8)15-10(6-12(16)23-15)14(17)9-4-2-3-5-11(9)19/h2-6,14H,7H2,1H3",C15H11Br2Cl2N3S,,,,,,WSPXLMNFAZLDLW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.793,263-592-1,62554-89-6,2-[N-ethyl-p-[[2-(methylsulphonyl)-4-nitrophenyl]azo]anilino]ethyl acetate,2-[ethyl(4-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}phenyl)amino]ethyl acetate,CCN(CCOC(=O)C)c1ccc(cc1)N=Nc2ccc(cc2S(=O)(=O)C)[N+](=O)[O-],CCN(CCOC(=O)C)c1ccc(cc1)N=Nc2ccc(cc2S(=O)(=O)C)[N+](=O)[O-],"InChI=1/C19H22N4O6S/c1-4-22(11-12-29-14(2)24)16-7-5-15(6-8-16)20-21-18-10-9-17(23(25)26)13-19(18)30(3,27)28/h5-10,13H,4,11-12H2,1-3H3",C19H22N4O6S,,,,,,NUZMFISVXZGAJG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.766,260-261-3,56564-72-8,2-methyl-6-(1-methylpropyl)naphthalene,2-sec-butyl-6-methylnaphthalene,CCC(C)c1ccc2cc(C)ccc2c1,CCC(C)c1ccc2cc(C)ccc2c1,"InChI=1/C15H18/c1-4-12(3)13-7-8-14-9-11(2)5-6-15(14)10-13/h5-10,12H,4H2,1-3H3",C15H18,,,,,,HFMRLGGSKFTVHE-UHFFFAOYSA-N,,,,,,,,,,,
100.054.783,260-280-7,56602-77-8,Bicyclo[2.2.1]heptanebis(methylamine),"bicyclo[2.2.1]heptane-2,3-diyldimethanamine",NCC1C2CCC(C2)C1CN,NCC1C2CCC(C2)C1CN,"InChI=1/C9H18N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-9H,1-5,10-11H2",C9H18N2,,,,,,RPYFJVIASOJLJS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.786,260-283-3,56609-03-1,1-benzhydrylpiperazinium chloride,1-(diphenylmethyl)piperazin-1-ium chloride,[Cl-].C1C[NH+](CCN1)C(c2ccccc2)c3ccccc3,[Cl-].C1C[NH+](CCN1)C(c2ccccc2)c3ccccc3,"InChI=1/C17H20N2.ClH/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;/h1-10,17-18H,11-14H2;1H",C17H20N2.ClH,,,,,,DLCXUFKAJDKSDD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.790,260-288-0,56620-35-0,4-cinnamyl-1-[(4-chlorophenyl)benzyl]piperazinium chloride,1-[(4'-chlorobiphenyl-2-yl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazin-1-ium chloride,[Cl-].Clc1ccc(cc1)c2ccccc2C[NH+]3CCN(C\\C=C\\c4ccccc4)CC3,[Cl-].Clc1ccc(cc1)c2ccccc2C[NH+]3CCN(C\C=C\c4ccccc4)CC3,"InChI=1/C26H27ClN2.ClH/c27-25-14-12-23(13-15-25)26-11-5-4-10-24(26)21-29-19-17-28(18-20-29)16-6-9-22-7-2-1-3-8-22;/h1-15H,16-21H2;1H",C26H27ClN2.ClH,,,,,,ROGHCASIBBIPMB-MLBSPLJJSA-N,,,,,,,,,,,
100.054.795,260-293-8,56630-87-6,"5a,6a-epoxy-3ß,17-dihydroxy-16a-methylpregnan-20-one","3,17-dihydroxy-16-methyl-5,6-epoxypregnan-20-one",C[C@@H]1C[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C,"InChI=1/C22H34O4/c1-12-9-17-15-10-18-21(26-18)11-14(24)5-7-19(21,3)16(15)6-8-20(17,4)22(12,25)13(2)23/h12,14-18,24-25H,5-11H2,1-4H3",C22H34O4,,,,,,KJCQIPXVQPRPPF-WOHDBFHPSA-N,,,,,,,,,,,
100.054.796,260-294-3,56631-57-3,1H-indenol,1H-inden-1-ol,OC1C=Cc2ccccc12,OC1C=Cc2ccccc12,"InChI=1/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-6,9-10H",C9H8O,,,,,,KWRSKZMCJVFUGU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.801,260-300-4,56634-95-8,"2,6-dibromo-4-cyanophenyl heptanoate","2,6-dibromo-4-cyanophenyl heptanoate",CCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N,CCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N,"InChI=1/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3",C14H15Br2NO2,,,,,,BHZWBQPHPLFZSV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.803,260-303-0,56637-94-6,3-(dodecyloxy)propiononitrile,3-(dodecyloxy)propanenitrile,CCCCCCCCCCCCOCCC#N,CCCCCCCCCCCCOCCC#N,"InChI=1/C15H29NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-12,14-15H2,1H3",C15H29NO,,,,,,ARSMZQPQPVWIFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.491,252-257-5,34866-47-2,Carbuterol,1-{5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl}urea,CC(C)(C)NCC(O)c1ccc(O)c(NC(=O)N)c1,CC(C)(C)NCC(O)c1ccc(O)c(NC(=O)N)c1,"InChI=1/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)",C13H21N3O3,,,,,,KEMXXQOFIRIICG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.493,252-259-6,34867-83-9,"1,1,2,4-tetrachlorobuta-1,3-diene","1,1,2,4-tetrachlorobuta-1,3-diene",Cl/C(Cl)=C(/Cl)C=CCl,Cl/C(Cl)=C(/Cl)C=CCl,InChI=1/C4H2Cl4/c5-2-1-3(6)4(7)8/h1-2H,C4H2Cl4,,,,,,ZDJLREHQIYLCNP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.494,252-260-1,34869-49-3,"3-(dimethylamino)-2,6-bis(1,1-dimethylethyl)-p-cresol","2,6-di-tert-butyl-3-(dimethylamino)-4-methylphenol",CN(C)c1c(C)cc(c(O)c1C(C)(C)C)C(C)(C)C,CN(C)c1c(C)cc(c(O)c1C(C)(C)C)C(C)(C)C,"InChI=1/C17H29NO/c1-11-10-12(16(2,3)4)15(19)13(17(5,6)7)14(11)18(8)9/h10,19H,1-9H3",C17H29NO,,,,,,MOGAVOOFUGWHHE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.502,252-269-0,34884-21-4,"a,2-dimethylcyclohexanemethanol",1-(2-methylcyclohexyl)ethanol,CC(O)C1CCCCC1C,CC(O)C1CCCCC1C,"InChI=1/C9H18O/c1-7-5-3-4-6-9(7)8(2)10/h7-10H,3-6H2,1-2H3",C9H18O,,,,,,HKOKDMODHRUISP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.507,252-274-8,34892-17-6,"5-chloro-N-(2-chloro-4-nitrophenyl)salicylamide, compound with piperazine",5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide - piperazine (1:1),Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-].C3CNCCN3,Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-].C3CNCCN3,"InChI=1/C13H8Cl2N2O4.C4H10N2/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-6-4-3-5-1/h1-6,18H,(H,16,19);5-6H,1-4H2",C13H8Cl2N2O4.xC4H10N2,,,,,,IAIUNINVFIUGNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.515,252-283-7,34912-23-7,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-5-(phenylmethoxy)-3H-indolium chloride","5-(benzyloxy)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium chloride",[Cl-].CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccc(OCc5ccccc5)cc4C3(C)C,[Cl-].CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccc(OCc5ccccc5)cc4C3(C)C,"InChI=1/C29H31N2O.ClH/c1-21-18-23-12-8-9-13-26(23)31(21)17-16-28-29(2,3)25-19-24(14-15-27(25)30(28)4)32-20-22-10-6-5-7-11-22;/h5-17,19,21H,18,20H2,1-4H3;1H/q+1;/p-1",C29H31N2O.Cl,,,,,,XZZUWCWBEPOMAE-UHFFFAOYSA-M,,,,,,,,,,,
100.047.519,252-287-9,34917-91-4,4'-hydroxy-2-methylpropiophenone,1-(4-hydroxyphenyl)-2-methylpropan-1-one,CC(C)C(=O)c1ccc(O)cc1,CC(C)C(=O)c1ccc(O)cc1,"InChI=1/C10H12O2/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3",C10H12O2,,,,,,HUXBPJVVEDIIEO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.923,261-536-0,58978-11-3,"1-[4-[[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-3-ethylphenyl]methyl]phenyl]-1H-pyrrole-2,5-dione","1-{4-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzyl]-2-ethylphenyl}-1H-pyrrole-2,5-dione",CCc1cc(Cc2ccc(cc2)N3C(=O)C=CC3=O)ccc1N4C(=O)C=CC4=O,CCc1cc(Cc2ccc(cc2)N3C(=O)C=CC3=O)ccc1N4C(=O)C=CC4=O,"InChI=1/C23H18N2O4/c1-2-17-14-16(5-8-19(17)25-22(28)11-12-23(25)29)13-15-3-6-18(7-4-15)24-20(26)9-10-21(24)27/h3-12,14H,2,13H2,1H3",C23H18N2O4,,,,,,HYBCCAMTKDXYQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.933,261-547-0,58997-89-0,"2-(dimethylamino)-2-phenylbutyl (+)-3,4,5-trimethoxybenzoate","2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate",CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2,"InChI=1/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3",C22H29NO5,,,,,,LORDFXWUHHSAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.937,261-551-2,59000-84-9,"4-amino-2,5-dichloro-N-ethylbenzenesulphonamide","4-amino-2,5-dichloro-N-ethylbenzenesulfonamide",CCNS(=O)(=O)c1cc(Cl)c(N)cc1Cl,CCNS(=O)(=O)c1cc(Cl)c(N)cc1Cl,"InChI=1/C8H10Cl2N2O2S/c1-2-12-15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4,12H,2,11H2,1H3",C8H10Cl2N2O2S,,,,,,YFXVCZINZDQVCR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.939,261-553-3,59006-65-4,"2,2,3,3,4,4,5,5,5-nonafluoropentyl methacrylate","2,2,3,3,4,4,5,5,5-nonafluoropentyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H7F9O2/c1-4(2)5(19)20-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h1,3H2,2H3",C9H7F9O2,,,,,,XBZLJCYNLZUIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.942,261-557-5,59012-43-0,N6-(1-oxohexadecyl)-L-lysine,N~6~-palmitoyl-L-lysine,CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,"InChI=1/C22H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-19-16-15-17-20(23)22(26)27/h20H,2-19,23H2,1H3,(H,24,25)(H,26,27)",C22H44N2O3,,,,,,IWKZTTDNVPAHNP-FQEVSTJZSA-N,,,,,,,,,,,
100.055.945,261-560-1,59017-64-0,Ioxaglic acid,"3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid",CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I,CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I,"InChI=1/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)",C24H21I6N5O8,,,,,,TYYBFXNZMFNZJT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.949,261-564-3,59021-05-5,[[furfurylthio]methyl]pyrazine,2-{[(2-furylmethyl)sulfanyl]methyl}pyrazine,C(SCc1cnccn1)c2occc2,C(SCc1cnccn1)c2occc2,"InChI=1/C10H10N2OS/c1-2-10(13-5-1)8-14-7-9-6-11-3-4-12-9/h1-6H,7-8H2",C10H10N2OS,,,,,,RVAGIRWUMWXFKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.950,261-565-9,59025-08-0,Aluminium icosanoate (1:3),aluminum triicosanoate,[AlH3].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[AlH3].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C20H40O2.Al.3H/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;;;;/h3*2-19H2,1H3,(H,21,22);;;;/q;;;+3;;;/p-3/r3C20H40O2.AlH3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3*2-19H2,1H3,(H,21,22);1H3/q;;;+3/p-3",C20H40O2.1/3Al,,,,,,KVPNJOPUPXTXDX-UHFFFAOYSA-K,,,,,,,,,,,
100.056.463,262-129-0,60254-15-1,"Ethyl trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","ethyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CCOC(=O)C1C(C=C(Cl)Cl)C1(C)C,CCOC(=O)C1C(C=C(Cl)Cl)C1(C)C,"InChI=1/C10H14Cl2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3",C10H14Cl2O2,,,,,,QPTWKDNRYCGMJM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.473,262-140-0,60274-90-0,"Sodium 9,10-dihydro-8-nitro-9,10-dioxoanthracenesulphonate","sodium 8-nitro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[Na+].[O-][N+](=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H7NO7S.Na/c16-13-7-3-1-5-9(15(18)19)11(7)14(17)12-8(13)4-2-6-10(12)23(20,21)22;/h1-6H,(H,20,21,22);/q;+1/p-1",C14H7NO7S.Na,,,,,,HPGPAWSZFXHFHT-UHFFFAOYSA-M,,,,,,,,,,,
100.056.474,262-141-6,60277-69-2,Butyl 2-bromo-2-methylpropionate,butyl 2-bromo-2-methylpropanoate,CCCCOC(=O)C(C)(C)Br,CCCCOC(=O)C(C)(C)Br,"InChI=1/C8H15BrO2/c1-4-5-6-11-7(10)8(2,3)9/h4-6H2,1-3H3",C8H15BrO2,,,,,,BOWQDFRKKXVCCI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.476,262-143-7,60278-96-8,"3-(diisobutylamino)propane-1,2-diol","3-(diisobutylamino)propane-1,2-diol",CC(C)CN(CC(C)C)CC(O)CO,CC(C)CN(CC(C)C)CC(O)CO,"InChI=1/C11H25NO2/c1-9(2)5-12(6-10(3)4)7-11(14)8-13/h9-11,13-14H,5-8H2,1-4H3",C11H25NO2,,,,,,VWIHYVNDFNINKK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.481,262-148-4,60299-11-8,"Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate monohydrochloride","dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride",Cl.COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C,Cl.COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C,"InChI=1/C17H18N2O6.ClH/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23;/h5-8,15,18H,1-4H3;1H",C17H18N2O6.ClH,,,,,,ISQGFMPRCDAJRT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.488,262-156-8,60308-76-1,(E)-4-ethyl-oct-2-enoic acid,4-ethyloct-2-enoic acid,CCCCC(CC)\\C=C\\C(=O)O,CCCCC(CC)\C=C\C(=O)O,"InChI=1/C10H18O2/c1-3-5-6-9(4-2)7-8-10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)",C10H18O2,,,,,,RTSYTZNKRVDRRT-BQYQJAHWSA-N,,,,,,,,,,,
100.050.223,255-264-1,41204-67-5,"Disodium 7,7'-(carbonyldiimino)bis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate]",disodium 3-[(4-acetamidophenyl)diazenyl]-7-[({6-[(4-acetamidophenyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}carbamoyl)amino]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C37H30N8O11S2.2Na/c1-19(46)38-23-3-7-25(8-4-23)42-44-33-31(57(51,52)53)17-21-15-27(11-13-29(21)35(33)48)40-37(50)41-28-12-14-30-22(16-28)18-32(58(54,55)56)34(36(30)49)45-43-26-9-5-24(6-10-26)39-20(2)47;;/h3-18,48-49H,1-2H3,(H,38,46)(H,39,47)(H2,40,41,50)(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2",C37H30N8O11S2.2Na,,,,,,ISUZGUQFONGTFH-UHFFFAOYSA-L,,,,,,,,,,,
100.050.226,255-267-8,41213-04-1,1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine,1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine,FC(F)(F)c1cc(ccc1Cl)N2CCNCC2,FC(F)(F)c1cc(ccc1Cl)N2CCNCC2,"InChI=1/C11H12ClF3N2/c12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2",C11H12ClF3N2,,,,,,SOVLQDJRXJFKHO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.231,255-273-0,41234-43-9,"Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate","ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate",CCOC(=O)C1Cc2ccccc2CN1,CCOC(=O)C1Cc2ccccc2CN1,"InChI=1/C12H15NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-6,11,13H,2,7-8H2,1H3",C12H15NO2,,,,,,RGHMPTHWVVRXHW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.235,255-277-2,41247-05-6,DL-xylose,D-xylose,OC[C@@H](O)[C@H](O)[C@@H](O)C=O,OC[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2",C5H10O5,,,,,,PYMYPHUHKUWMLA-VPENINKCSA-N,,,,,,,,,,,
100.050.236,255-278-8,41252-96-4,2-chloro-1-iodo-4-nitrobenzene,2-chloro-1-iodo-4-nitrobenzene,[O-][N+](=O)c1ccc(I)c(Cl)c1,[O-][N+](=O)c1ccc(I)c(Cl)c1,InChI=1/C6H3ClINO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,C6H3ClINO2,,,,,,FQXFHRSYMORXKN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.237,255-279-3,41252-97-5,4-iodo-2-nitrotoluene,4-iodo-1-methyl-2-nitrobenzene,Cc1ccc(I)cc1[N+](=O)[O-],Cc1ccc(I)cc1[N+](=O)[O-],"InChI=1/C7H6INO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3",C7H6INO2,,,,,,QLMRDNPXYNJQMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.240,255-283-5,41264-06-6,"Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate","methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate",COC(=O)C1=C(C)OC(=O)C=C1C,COC(=O)C1=C(C)OC(=O)C=C1C,"InChI=1/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3",C9H10O4,,,,,,VLYBFLKIZIACQH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.760,259-156-5,54410-94-5,3-methylbut-3-enyl isovalerate,3-methylbut-3-en-1-yl 3-methylbutanoate,CC(C)CC(=O)OCCC(=C)C,CC(C)CC(=O)OCCC(=C)C,"InChI=1/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3",C10H18O2,,,,,,TYOOXFQTUDXXCL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.761,259-157-0,54411-20-0,2-(dimethylphenoxy)ethanol,"2-(2,3-dimethylphenoxy)ethanol",Cc1cccc(OCCO)c1C,Cc1cccc(OCCO)c1C,"InChI=1/C10H14O2/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3-5,11H,6-7H2,1-2H3",C10H14O2,,,,,,KHEOFMOZOGKLAU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.770,259-167-5,54449-74-0,4-(1-methyl-1-phenylethyl)phenyl acrylate,4-(1-methyl-1-phenylethyl)phenyl acrylate,CC(C)(c1ccccc1)c2ccc(OC(=O)C=C)cc2,CC(C)(c1ccccc1)c2ccc(OC(=O)C=C)cc2,"InChI=1/C18H18O2/c1-4-17(19)20-16-12-10-15(11-13-16)18(2,3)14-8-6-5-7-9-14/h4-13H,1H2,2-3H3",C18H18O2,,,,,,LXSJHLYEDBJAGK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.779,259-176-4,54471-44-2,sec-octyl 5-oxo-L-prolinate,1-methylheptyl 5-oxoprolinate,CCCCCCC(C)OC(=O)C1CCC(=O)N1,CCCCCCC(C)OC(=O)C1CCC(=O)N1,"InChI=1/C13H23NO3/c1-3-4-5-6-7-10(2)17-13(16)11-8-9-12(15)14-11/h10-11H,3-9H2,1-2H3,(H,14,15)",C13H23NO3,,,,,,MVSOKKKPBUGRQS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.784,259-182-7,54481-30-0,"Sodium hydrogen propane-1,3-diolate","hydrogen sodium propane-1,3-diolate",[Na+].[O-]CCC[O-],[Na+].[O-]CCC[O-],InChI=1/C3H6O2.Na/c4-2-1-3-5;/h1-3H2;/q-2;+1,C3H8O2.Na,,,,,,LUCWCPKKPCVQLL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.786,259-184-8,54484-73-0,1-(1-ethoxyethoxy)hexane,1-(1-ethoxyethoxy)hexane,CCCCCCOC(C)OCC,CCCCCCOC(C)OCC,"InChI=1/C10H22O2/c1-4-6-7-8-9-12-10(3)11-5-2/h10H,4-9H2,1-3H3",C10H22O2,,,,,,YJYLJPSYBMNHTG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.787,259-185-3,54491-17-7,3-ethylhexahydro-3H-benzofuran-2-one,3-ethylhexahydro-1-benzofuran-2(3H)-one,CCC1C2CCCCC2OC1=O,CCC1C2CCCCC2OC1=O,"InChI=1/C10H16O2/c1-2-7-8-5-3-4-6-9(8)12-10(7)11/h7-9H,2-6H2,1H3",C10H16O2,,,,,,WUEULGLRESFOFL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.790,259-189-5,54503-10-5,tert-butyl 2-(aminocarbonyl)pyrrolidine-1-carboxylate,tert-butyl 2-carbamoylpyrrolidine-1-carboxylate,CC(C)(C)OC(=O)N1CCCC1C(=O)N,CC(C)(C)OC(=O)N1CCCC1C(=O)N,"InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)",C10H18N2O3,,,,,,PITJAAIPVBVRAO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.798,259-197-9,54527-65-0,2-(benzylmethylamino)ethyl acetoacetate,2-[benzyl(methyl)amino]ethyl 3-oxobutanoate,CN(CCOC(=O)CC(=O)C)Cc1ccccc1,CN(CCOC(=O)CC(=O)C)Cc1ccccc1,"InChI=1/C14H19NO3/c1-12(16)10-14(17)18-9-8-15(2)11-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3",C14H19NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11580,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.798,HPHPTGDPZSEYMB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.801,259-201-9,54528-00-6,Hexahydrocyclopenta[c]pyrrol-2(1H)-amine,hexahydrocyclopenta[c]pyrrol-2(1H)-amine,NN1CC2CCCC2C1,NN1CC2CCCC2C1,"InChI=1/C7H14N2/c8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5,8H2",C7H14N2,,,,,,FJYWNYLUZBMVKI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.795,263-594-2,62557-28-2,Potassium 1-methyl-1H-tetrazole-5-thiolate,potassium 1-methyl-1H-tetrazole-5-thiolate,[K+].Cn1nnnc1[S-],[K+].Cn1nnnc1[S-],"InChI=1/C2H4N4S.K/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/q;+1/p-1",C2H4N4S.K,,,,,,HFRHYYFCSVBNPW-UHFFFAOYSA-M,,,,,,,,,,,
100.057.797,263-596-3,62563-16-0,"N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-4,4-dimethyl-3-oxovaleramide","N-{2-chloro-5-[(hexadecylsulfonyl)amino]phenyl}-4,4-dimethyl-3-oxopentanamide",CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c1,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c1,"InChI=1/C29H49ClN2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-37(35,36)32-24-19-20-25(30)26(22-24)31-28(34)23-27(33)29(2,3)4/h19-20,22,32H,5-18,21,23H2,1-4H3,(H,31,34)",C29H49ClN2O4S,,,,,,JRLRLQORDCAMLV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.698,265-687-3,65294-20-4,"1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]","1,1'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)bis(3,4-dimethylbenzene)",Cc1ccc(cc1C)C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F,Cc1ccc(cc1C)C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3",C19H18F6,,,,,,GLFKFHJEFMLTOB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.703,265-693-6,65309-59-3,Sodium acetoxyoctadecenyl sulphate,sodium 1-acetoxyoctadec-1-en-1-yl sulfate,[Na+].[O-]S(=O)(=O)OC(OC(=O)C)=CCCCCCCCCCCCCCCCC,[Na+].[O-]S(=O)(=O)OC(OC(=O)C)=CCCCCCCCCCCCCCCCC,"InChI=1/C20H38O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25-19(2)21)26-27(22,23)24;/h18H,3-17H2,1-2H3,(H,22,23,24);/q;+1/p-1",C20H38O6S.Na,,,,,,LHYFNLHABZUDCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.059.704,265-694-1,65309-61-7,Sodium 1-acetoxyhexadecenol sulphate,sodium 1-acetoxyhexadec-1-en-1-yl sulfate,[Na+].[O-]S(=O)(=O)OC(OC(=O)C)=CCCCCCCCCCCCCCC,[Na+].[O-]S(=O)(=O)OC(OC(=O)C)=CCCCCCCCCCCCCCC,"InChI=1/C18H34O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23-17(2)19)24-25(20,21)22;/h16H,3-15H2,1-2H3,(H,20,21,22);/q;+1/p-1",C18H34O6S.Na,,,,,,OAPDHAGSVQRBCR-UHFFFAOYSA-M,,,,,,,,,,,
100.059.711,265-701-8,65330-49-6,"4-ethoxy-2,5-dimethylfuran-3(2H)-one","4-ethoxy-2,5-dimethylfuran-3(2H)-one",CCOC1=C(C)OC(C)C1=O,CCOC1=C(C)OC(C)C1=O,"InChI=1/C8H12O3/c1-4-10-8-6(3)11-5(2)7(8)9/h5H,4H2,1-3H3",C8H12O3,,,,,,AILFSZXBRNLVHY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.716,265-707-0,65345-27-9,"2-aminoethanol, compound with sulphur dioxide (1:1)",2-aminoethanol - oxosulfane oxide (1:1),NCCO.O=S=O,NCCO.O=S=O,"InChI=1/C2H7NO.O2S/c3-1-2-4;1-3-2/h4H,1-3H2;",C2H7NO.O2S,,,,,,IZGMTUSWDTVKOI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.719,265-710-7,65350-86-9,"(2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3-methoxy-2H-1-benzopyran-5,7-diol","2-(3,4-dihydroxyphenyl)-3-methoxychromane-5,7-diol",CO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,CO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,"InChI=1/C16H16O6/c1-21-15-7-10-12(19)5-9(17)6-14(10)22-16(15)8-2-3-11(18)13(20)4-8/h2-6,15-20H,7H2,1H3",C16H16O6,,,,,,PDHSAQOQVUXZGQ-JKSUJKDBSA-N,,,,,,,,,,,
100.059.720,265-711-2,65351-55-5,Tripotassium methylsilanetriolate,tripotassium methylsilanetriolate,[K+].[K+].[K+].C[Si]([O-])([O-])[O-],[K+].[K+].[K+].C[Si]([O-])([O-])[O-],"InChI=1/CH3O3Si.3K/c1-5(2,3)4;;;/h1H3;;;/q-3;3*+1",CH6O3Si.3K,,,,,,UAEHYLMDLZKQTP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.728,265-720-1,65370-06-1,a-(ethylthio)-o-cresol,2-[(ethylsulfanyl)methyl]phenol,CCSCc1ccccc1O,CCSCc1ccccc1O,"InChI=1/C9H12OS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3",C9H12OS,,,,,,QZBBPVLBIUUYRH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.730,265-722-2,65379-34-2,N-icosylacrylamide,N-icosylacrylamide,CCCCCCCCCCCCCCCCCCCCNC(=O)C=C,CCCCCCCCCCCCCCCCCCCCNC(=O)C=C,"InChI=1/C23H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(25)4-2/h4H,2-3,5-22H2,1H3,(H,24,25)",C23H45NO,,,,,,CJKAINXGZTZFDV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.732,265-724-3,65381-09-1,"Decanoic acid, ester with 1,2,3-propanetriol octanoate",2-hydroxy-1-[(octanoyloxy)methyl]ethyl decanoate,CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC,CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC,"InChI=1/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3",-,,,,,,YOYOQXRPUDEPAK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.733,265-725-9,65383-57-5,3-ethoxy-4-methoxyphenol,3-ethoxy-4-methoxyphenol,CCOc1cc(O)ccc1OC,CCOc1cc(O)ccc1OC,"InChI=1/C9H12O3/c1-3-12-9-6-7(10)4-5-8(9)11-2/h4-6,10H,3H2,1-2H3",C9H12O3,,,,,,YYXJGWHFSNJMDX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.877,261-484-9,58890-64-5,7-(acetylamino)-3-hydroxy-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]naphthalene-1-sulphonic acid,7-acetamido-3-hydroxy-4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid,Oc3c(cc(C)cc3N=Nc2c1ccc(NC(C)=O)cc1c(cc2O)S(O)(=O)=O)[N+]([O-])=O,Oc3c(cc(C)cc3N=Nc2c1ccc(NC(C)=O)cc1c(cc2O)S(O)(=O)=O)[N+]([O-])=O,"InChI=1/C19H16N4O8S/c1-9-5-14(19(26)15(6-9)23(27)28)21-22-18-12-4-3-11(20-10(2)24)7-13(12)17(8-16(18)25)32(29,30)31/h3-8,25-26H,1-2H3,(H,20,24)(H,29,30,31)",C19H16N4O8S,,,,,,RHDQOKKBHSAKIH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.522,252-291-0,34924-25-9,"2,7-bis[1-oxo-4-(1-piperidyl)butyl]-9H-fluoren-9-one","2,7-bis(4-piperidin-1-ylbutanoyl)-9H-fluoren-9-one",O=C(CCCN1CCCCC1)c2ccc3c(c2)C(=O)c4cc(ccc34)C(=O)CCCN5CCCCC5,O=C(CCCN1CCCCC1)c2ccc3c(c2)C(=O)c4cc(ccc34)C(=O)CCCN5CCCCC5,"InChI=1/C31H38N2O3/c34-29(9-7-19-32-15-3-1-4-16-32)23-11-13-25-26-14-12-24(22-28(26)31(36)27(25)21-23)30(35)10-8-20-33-17-5-2-6-18-33/h11-14,21-22H,1-10,15-20H2",C31H38N2O3,,,,,,ZNDNZBVYMDSTJN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.525,252-294-7,34927-63-4,"1,1'-(9H-fluorene-2,7-diyl)bis(4-piperidinobutan-1-one)","1,1'-(9H-fluorene-2,7-diyl)bis(4-piperidin-1-ylbutan-1-one)",O=C(CCCN1CCCCC1)c2ccc3c(Cc4cc(ccc34)C(=O)CCCN5CCCCC5)c2,O=C(CCCN1CCCCC1)c2ccc3c(Cc4cc(ccc34)C(=O)CCCN5CCCCC5)c2,"InChI=1/C31H40N2O2/c34-30(9-7-19-32-15-3-1-4-16-32)24-11-13-28-26(21-24)23-27-22-25(12-14-29(27)28)31(35)10-8-20-33-17-5-2-6-18-33/h11-14,21-22H,1-10,15-20,23H2",C31H40N2O2,,,,,,KQKCWHPANDHXPN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.529,252-298-9,34938-47-1,2-(phenylazo)-1H-imidazole,2-(phenyldiazenyl)-1H-imidazole,c1ccccc1N=Nc2nccn2,c1ccccc1N=Nc2nccn2,"InChI=1/C9H8N4/c1-2-4-8(5-3-1)12-13-9-10-6-7-11-9/h1-7H,(H,10,11)",C9H8N4,,,,,,IWKTVWFSQDLTHC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.356,264-211-1,63462-99-7,Tetraoctadecylammonium bromide,"N,N,N-trioctadecyloctadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC,[Br-].CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC,"InChI=1/C72H148N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-72H2,1-4H3;1H/q+1;/p-1",C72H148N.Br,,,,,,BUXYZRAZWWVKDS-UHFFFAOYSA-M,,,,,,,,,,,
100.058.357,264-212-7,63466-98-8,"1,4-bis[(2-methoxyethyl)amino]anthraquinone","1,4-bis[(2-methoxyethyl)amino]-9,10-anthraquinone",COCCNc1ccc(NCCOC)c2C(=O)c3ccccc3C(=O)c12,COCCNc1ccc(NCCOC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H22N2O4/c1-25-11-9-21-15-7-8-16(22-10-12-26-2)18-17(15)19(23)13-5-3-4-6-14(13)20(18)24/h3-8,21-22H,9-12H2,1-2H3",C20H22N2O4,,,,,,ZHMICNLCSJUGKY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.361,264-216-9,63467-02-7,"2,2'-[[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]imino]bisethanol","2,2'-[(4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl)imino]diethanol",OCCN(CCO)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)S(C)(=O)=O,OCCN(CCO)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)S(C)(=O)=O,"InChI=1/C18H20N4O4S2/c1-28(25,26)15-6-7-16-17(12-15)27-18(19-16)21-20-13-2-4-14(5-3-13)22(8-10-23)9-11-24/h2-7,12,23-24H,8-11H2,1H3",C18H20N4O4S2,,,,,,ZVPFNHQYOQGSQI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.362,264-217-4,63467-05-0,2-[[2-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]ethanol,2-({2-methyl-4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethanol,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(NCCO)c(C)c2,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(NCCO)c(C)c2,"InChI=1/C15H16N4O3/c1-11-10-13(4-7-15(11)16-8-9-20)18-17-12-2-5-14(6-3-12)19(21)22/h2-7,10,16,20H,8-9H2,1H3",C15H16N4O3,,,,,,XPNPVCPVYKXTJO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.365,264-221-6,63467-08-3,2-[(2-cyanoethyl)[4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]ethyl acetate,2-[(2-cyanoethyl)(4-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}phenyl)amino]ethyl acetate,CC(=O)OCCN(CCC#N)c2ccc(N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)cc2,CC(=O)OCCN(CCC#N)c2ccc(N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)cc2,"InChI=1/C20H21N5O6S/c1-15(26)31-13-12-24(11-3-10-21)17-6-4-16(5-7-17)22-23-19-9-8-18(25(27)28)14-20(19)32(2,29)30/h4-9,14H,3,11-13H2,1-2H3",C20H21N5O6S,,,,,,BBCMFXGIGGXVPH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.368,264-224-2,63467-11-8,"3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]propiononitrile","3-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]propanenitrile",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(CC)CCC#N)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(CC)CCC#N)[N+]([O-])=O,"InChI=1/C18H17Cl2N5O2/c1-3-24(8-4-7-21)13-5-6-17(12(2)9-13)22-23-18-15(19)10-14(25(26)27)11-16(18)20/h5-6,9-11H,3-4,8H2,1-2H3",C18H17Cl2N5O2,,,,,,GXWKYWHBRDHRFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.372,264-228-4,63467-16-3,"3-[[1-(2,5-dioxopyrrolidin-1-yl)ethyl][3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile","3-([1-(2,5-dioxopyrrolidin-1-yl)ethyl]{3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile",[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2C)N(CCC#N)C(C)N3C(=O)CCC3=O,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2C)N(CCC#N)C(C)N3C(=O)CCC3=O,"InChI=1/C22H22N6O4/c1-15-14-19(26(13-3-12-23)16(2)27-21(29)10-11-22(27)30)8-9-20(15)25-24-17-4-6-18(7-5-17)28(31)32/h4-9,14,16H,3,10-11,13H2,1-2H3",C22H22N6O4,,,,,,ZESHOMYLYNAZBH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.929,267-042-1,67763-19-3,"2,2-bis(hydroxymethyl)propane-1,3-diyl bisheptanoate","2,2-bis(hydroxymethyl)propane-1,3-diyl diheptanoate",CCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCC,CCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCC,"InChI=1/C19H36O6/c1-3-5-7-9-11-17(22)24-15-19(13-20,14-21)16-25-18(23)12-10-8-6-4-2/h20-21H,3-16H2,1-2H3",C19H36O6,,,,,,OMAIADOUFDGXKC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.930,267-043-7,67763-22-8,"Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-methylphenolate) S,S-dioxide","sodium hydrogen 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3-methylphenolate)",[Na+].Cc1cc([O-])ccc1C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4C,[Na+].Cc1cc([O-])ccc1C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4C,"InChI=1/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21;/h3-12,22-23H,1-2H3;/q;+1/p-2",C21H18O5S.Na,,,,,,ALWHNCXHKCVHCK-UHFFFAOYSA-L,,,,,,,,,,,
100.056.494,262-163-6,60313-17-9,"4'-bromo-a-(phenylmethyl)[1,1'-biphenyl]-4-methanol",1-(4'-bromobiphenyl-4-yl)-2-phenylethanol,OC(Cc1ccccc1)c2ccc(cc2)c3ccc(Br)cc3,OC(Cc1ccccc1)c2ccc(cc2)c3ccc(Br)cc3,"InChI=1/C20H17BrO/c21-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(22)14-15-4-2-1-3-5-15/h1-13,20,22H,14H2",C20H17BrO,,,,,,MSFKWIPDXNDLPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.126,263-959-6,63149-16-6,5-chloro-3-ethyl-2-methylbenzothiazolium p-toluenesulphonate,"5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",CC[n+]1c(C)sc2ccc(Cl)cc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[n+]1c(C)sc2ccc(Cl)cc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C10H11ClNS.C7H8O3S/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C10H11ClNS.C7H7O3S,,,,,,GYXTWUJZURSNCF-UHFFFAOYSA-M,,,,,,,,,,,
100.058.128,263-961-7,63149-24-6,"1,1,2-trimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium","4-(1,1,2-trimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate",CC1=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c2C1(C)C,CC1=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c2C1(C)C,"InChI=1/C19H23NO3S/c1-14-19(2,3)18-16-9-5-4-8-15(16)10-11-17(18)20(14)12-6-7-13-24(21,22)23/h4-5,8-11H,6-7,12-13H2,1-3H3",C19H23NO3S,,,,,,GJCURKVOCXJAIV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.847,263-652-7,62625-23-4,Ethyl 3-oxooctadecanoate,ethyl 3-oxooctadecanoate,CCCCCCCCCCCCCCCC(=O)CC(=O)OCC,CCCCCCCCCCCCCCCC(=O)CC(=O)OCC,"InChI=1/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23-4-2/h3-18H2,1-2H3",C20H38O3,,,,,,SRIODMROVCTKJW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.849,263-654-8,62625-29-0,"Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-methylphenolate) S,S-dioxide","sodium hydrogen 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-methylphenolate)",[Na+].Cc1cc(ccc1[O-])C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])c(C)c4,[Na+].Cc1cc(ccc1[O-])C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])c(C)c4,"InChI=1/C21H18O5S.Na/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21;/h3-12,22-23H,1-2H3;/q;+1/p-2",C21H18O5S.Na,,,,,,FMKJVYROEYMYFV-UHFFFAOYSA-L,,,,,,,,,,,
100.057.850,263-655-3,62625-30-3,"Sodium a-(3-bromo-5-methyl-4-oxo-2,5-cyclohexadienylidene)-a-(3-bromo-5-methyl-4-hydroxyphenyl)toluenesulphonate","sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccccc1C(c2cc(C)c(O)c(Br)c2)=C/3/C=C(/C)C(=O)C(\\Br)=C\\3,[Na+].[O-]S(=O)(=O)c1ccccc1C(c2cc(C)c(O)c(Br)c2)=C/3/C=C(/C)C(=O)C(\Br)=C\3,"InChI=1/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1",C21H16Br2O5S.Na,,,,,,KVSJYIXUWNOWBD-UHFFFAOYSA-M,,,,,,,,,,,
100.057.852,263-657-4,62625-32-5,"Sodium a-(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadienylidene)-a-(3,5-dibromo-4-hydroxyphenyl)toluenesulphonate","sodium 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate",[Na+].CC=1C(/C=C(/Br)C(=O)C=1Br)=C(c2cc(Br)c(O)c(Br)c2)c3ccccc3S([O-])(=O)=O,[Na+].CC=1C(/C=C(/Br)C(=O)C=1Br)=C(c2cc(Br)c(O)c(Br)c2)c3ccccc3S([O-])(=O)=O,"InChI=1/C20H12Br4O5S.Na/c1-9-12(8-15(23)20(26)18(9)24)17(10-6-13(21)19(25)14(22)7-10)11-4-2-3-5-16(11)30(27,28)29;/h2-8,25H,1H3,(H,27,28,29);/q;+1/p-1",C21H14Br4O5S.Na,,,,,,WDZYSVYEWJXXBJ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.858,263-664-2,62638-00-0,Lithium 4-cyclohexylbutyrate,lithium 4-cyclohexylbutanoate,[Li+].[O-]C(=O)CCCC1CCCCC1,[Li+].[O-]C(=O)CCCC1CCCCC1,"InChI=1/C10H18O2.Li/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1",C10H18O2.Li,,,,,,URLCIQQRJXWBIF-UHFFFAOYSA-M,,,,,,,,,,,
100.057.859,263-665-8,62638-02-2,Mercury hydrogen cyclohexanebutyrate,mercury bis(4-cyclohexylbutanoate),[Hg+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1,[Hg+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1,"InChI=1/2C10H18O2.Hg/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Hg,,,,,,XYZSHUAZLIDRHS-UHFFFAOYSA-L,,,,,,,,,,,
100.057.861,263-667-9,62638-04-4,Silver 4-cyclohexylbutyrate,silver(1+) 4-cyclohexylbutanoate,[Ag+].[O-]C(=O)CCCC1CCCCC1,[Ag+].[O-]C(=O)CCCC1CCCCC1,"InChI=1/C10H18O2.Ag/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1",C10H18O2.Ag,,,,,,CBBVZDBEHVFMHE-UHFFFAOYSA-M,,,,,,,,,,,
100.057.866,263-673-1,62654-07-3,"N,N-dimethylbenzene-1,2-diamine dihydrochloride","N,N-dimethylbenzene-1,2-diamine dihydrochloride",Cl.Cl.CN(C)c1ccccc1N,Cl.Cl.CN(C)c1ccccc1N,"InChI=1/C8H12N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h3-6H,9H2,1-2H3;2*1H",C8H12N2.2ClH,,,,,,MBRKSKWYAIWADJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.872,263-679-4,62666-20-0,Progabide,4-{[(4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene]amino}butanamide,Clc1ccc(cc1)C(=NCCCC(N)=O)c2cc(F)ccc2O,Clc1ccc(cc1)C(=NCCCC(N)=O)c2cc(F)ccc2O,"InChI=1/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)",C17H16ClFN2O2,,,,,,IBALRBWGSVJPAP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.504,265-474-5,65122-01-2,3-ethyl-5-[2-(3-ethylthiazolidin-2-ylidene)-1-methylethylidene]-2-thioxooxazolidin-4-one,"3-ethyl-5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)-1-methylethylidene]-2-thioxo-1,3-oxazolidin-4-one",CCN2CCSC2=CC(C)=C1OC(=S)N(CC)C1=O,CCN2CCSC2=CC(C)=C1OC(=S)N(CC)C1=O,"InChI=1/C13H18N2O2S2/c1-4-14-6-7-19-10(14)8-9(3)11-12(16)15(5-2)13(18)17-11/h8H,4-7H2,1-3H3",C13H18N2O2S2,,,,,,JLFKHEYAEIXOJF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.804,259-205-0,54537-30-3,Sodium 4-hydroxyphenylglyoxylate,sodium (4-hydroxyphenyl)(oxo)acetate,[Na+].Oc1ccc(cc1)C(=O)C(=O)[O-],[Na+].Oc1ccc(cc1)C(=O)C(=O)[O-],"InChI=1/C8H6O4.Na/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,9H,(H,11,12);/q;+1/p-1",C8H6O4.Na,,,,,,SIZKOKCUGWOJMH-UHFFFAOYSA-M,,,,,,,,,,,
100.048.987,253-904-4,38363-29-0,(E)-dodec-8-enyl acetate,dodec-8-en-1-yl acetate,CCC\\C=C\\CCCCCCCOC(=O)C,CCC\C=C\CCCCCCCOC(=O)C,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3",C14H26O2,,,,,,SUCYDSJQVVGOIW-AATRIKPKSA-N,,,,,,,,,,,
100.048.992,253-910-7,38393-97-4,"5-(tert-butyl)-1,1-dimethylindan","5-tert-butyl-1,1-dimethylindane",CC(C)(C)c1ccc2c(CCC2(C)C)c1,CC(C)(C)c1ccc2c(CCC2(C)C)c1,"InChI=1/C15H22/c1-14(2,3)12-6-7-13-11(10-12)8-9-15(13,4)5/h6-7,10H,8-9H2,1-5H3",C15H22,,,,,,CVJYZSZDNBCBSS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.994,253-912-8,38399-72-3,"9,10-dihydroanthracene-1,4,9,10-tetrol","9,10-dihydroanthracene-1,4,9,10-tetrol",OC1c2ccccc2C(O)c3c(O)ccc(O)c13,OC1c2ccccc2C(O)c3c(O)ccc(O)c13,"InChI=1/C14H12O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,13-18H",C14H12O4,,,,,,ZIKKFAGENVKXRO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.996,253-914-9,38407-79-3,2-(hexadecyloxy)-5-[[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl]benzenesulphonic acid,2-(hexadecyloxy)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}benzenesulfonic acid,CCCCCCCCCCCCCCCCOc1ccc(cc1S(=O)(=O)O)C(=O)CSc2nnnn2c3ccccc3,CCCCCCCCCCCCCCCCOc1ccc(cc1S(=O)(=O)O)C(=O)CSc2nnnn2c3ccccc3,"InChI=1/C31H44N4O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-40-29-22-21-26(24-30(29)42(37,38)39)28(36)25-41-31-32-33-34-35(31)27-19-16-15-17-20-27/h15-17,19-22,24H,2-14,18,23,25H2,1H3,(H,37,38,39)",C31H44N4O5S2,,,,,,DTIQUXHSHTXVAX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.500,255-570-5,41864-24-8,"1-tert-butyl 1H-1,2,4-triazole-1-carboxylate","tert-butyl 1H-1,2,4-triazole-1-carboxylate",CC(C)(C)OC(=O)n1cncn1,CC(C)(C)OC(=O)n1cncn1,"InChI=1/C7H11N3O2/c1-7(2,3)12-6(11)10-5-8-4-9-10/h4-5H,1-3H3",C7H11N3O2,,,,,,XWUFRDJEUOAMNW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.503,255-573-1,41884-28-0,(R)-2-isopropyl-5-methylhexanol,2-isopropyl-5-methylhexan-1-ol,CC(C)CC[C@@H](CO)C(C)C,CC(C)CC[C@@H](CO)C(C)C,"InChI=1/C10H22O/c1-8(2)5-6-10(7-11)9(3)4/h8-11H,5-7H2,1-4H3",C10H22O,,,,,,SFIQHFBITUEIBP-JTQLQIEISA-N,,,,,,,,,,,
100.050.505,255-575-2,41891-38-7,Ethyl 3-methyl-4-oxo-2-butenoate,ethyl 3-methyl-4-oxobut-2-enoate,CC(C=O)=CC(=O)OCC,CC(C=O)=CC(=O)OCC,"InChI=1/C7H10O3/c1-3-10-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3",C7H10O3,,,,,,YLFXEUMFBVGYEL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.507,255-577-3,41891-96-7,"2,2'-[dodecane-1,12-diylbis(thio)]bisethanol","2,2'-(dodecane-1,12-diyldisulfanediyl)diethanol",OCCSCCCCCCCCCCCCSCCO,OCCSCCCCCCCCCCCCSCCO,"InChI=1/C16H34O2S2/c17-11-15-19-13-9-7-5-3-1-2-4-6-8-10-14-20-16-12-18/h17-18H,1-16H2",C16H34O2S2,,,,,,XPFPXZRKIRAJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.516,255-587-8,41925-33-1,"[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane","2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C12H5F19O/c13-4(14,1-3-2-32-3)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3H,1-2H2",C12H5F19O,,,,,,ZFJPGQQBBNLQOX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.519,255-590-4,41931-18-4,4-bromophenylhydrazine hydrochloride,(4-bromophenyl)hydrazine hydrochloride,Cl.NNc1ccc(Br)cc1,Cl.NNc1ccc(Br)cc1,"InChI=1/C6H7BrN2.ClH/c7-5-1-3-6(9-8)4-2-5;/h1-4,9H,8H2;1H",C6H7BrN2.xClH,,,,,,RGGOWBBBHWTTRE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.520,255-592-5,41931-86-6,"3-[4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]piperazinyl]propyl decanoate","3-{4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}propyl decanoate",CCCCCCCCCC(=O)OCCCN1CCN(CC1)C2Cc3ccccc3Sc4ccc(SC)cc24,CCCCCCCCCC(=O)OCCCN1CCN(CC1)C2Cc3ccccc3Sc4ccc(SC)cc24,"InChI=1/C32H46N2O2S2/c1-3-4-5-6-7-8-9-15-32(35)36-23-12-18-33-19-21-34(22-20-33)29-24-26-13-10-11-14-30(26)38-31-17-16-27(37-2)25-28(29)31/h10-11,13-14,16-17,25,29H,3-9,12,15,18-24H2,1-2H3",C32H46N2O2S2,,,,,,SUVSVBSQNAUQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.531,255-603-3,41980-32-9,"5,5'-(propane-1,3-diyl)bisimidazolidine-2,4-dione","5,5'-propane-1,3-diyldiimidazolidine-2,4-dione",O=C1NC(CCCC2NC(=O)NC2=O)C(=O)N1,O=C1NC(CCCC2NC(=O)NC2=O)C(=O)N1,"InChI=1/C9H12N4O4/c14-6-4(10-8(16)12-6)2-1-3-5-7(15)13-9(17)11-5/h4-5H,1-3H2,(H2,10,12,14,16)(H2,11,13,15,17)",C9H12N4O4,,,,,,TXZDBBPUMSRMHT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.395,253-252-0,36880-33-8,5-ethylthiophene-2-carbaldehyde,5-ethylthiophene-2-carbaldehyde,CCc1ccc(C=O)s1,CCc1ccc(C=O)s1,"InChI=1/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3",C7H8OS,,,,,,CLQXZICUPGZTPE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.401,253-258-3,36894-69-6,Labetalol,2-hydroxy-5-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl}benzamide,CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N,CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N,"InChI=1/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)",C19H24N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18860,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.401,SGUAFYQXFOLMHL-UHFFFAOYSA-N,Positive/Negative,SM818801,[M+H]+,HCD35,162.055:311.1757:91.0543,CASMI_2016,SM818851,[M-H]-,HCD35,327.1714:309.1608:176.0591,CASMI_2016
100.055.878,261-485-4,58901-12-5,Tris(2-hydroxypropyl)ammonium chloride,"2-hydroxy-N,N-bis(2-hydroxypropyl)propan-1-aminium chloride",[Cl-].CC(O)C[NH+](CC(C)O)CC(C)O,[Cl-].CC(O)C[NH+](CC(C)O)CC(C)O,"InChI=1/C9H21NO3.ClH/c1-7(11)4-10(5-8(2)12)6-9(3)13;/h7-9,11-13H,4-6H2,1-3H3;1H",C9H21NO3.ClH,,,,,,VERYLERBPOEWKG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.882,261-490-1,58909-39-0,"Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione","2-methyl-3-thioxo-1,2,4-triazinane-5,6-dione",CN1NC(=O)C(=O)NC1=S,CN1NC(=O)C(=O)NC1=S,"InChI=1/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)",C4H5N3O2S,,,,,,UMWWHOXOVPIGFD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.884,261-492-2,58910-28-4,Ethyl (1-ethoxyethylidene)carbazate,ethyl 2-(1-ethoxyethylidene)hydrazinecarboxylate,CC(=NNC(=O)OCC)OCC,CC(=NNC(=O)OCC)OCC,"InChI=1/C7H14N2O3/c1-4-11-6(3)8-9-7(10)12-5-2/h4-5H2,1-3H3,(H,9,10)",C7H14N2O3,,,,,,TYDLVSRFOJZHPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.889,261-498-5,58920-69-7,(Z)-octadec-9-enylammonium dihydrogen phosphate,octadec-9-en-1-aminium dihydrogen phosphate,CCCCCCCC\\C=C/CCCCCCCC[NH3+].[O-]P(=O)([O-])[O-],CCCCCCCC\C=C/CCCCCCCC[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/C18H37N.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10H,2-8,11-19H2,1H3;(H3,1,2,3,4)/p-2",C18H37N.H3O4P,,,,,,MEPPGZCXGFBFNQ-KVVVOXFISA-L,,,,,,,,,,,
100.055.904,261-515-6,58948-24-6,"2,2'-oxybis[5,5-dimethyl-4-propyl-1,3,2-dioxaphosphorinane] 2,2'-disulphide","2,2'-oxybis(5,5-dimethyl-4-propyl-1,3,2-dioxaphosphinane) 2,2'-disulfide",CCCC1OP(=S)(OP2(=S)OCC(C)(C)C(CCC)O2)OCC1(C)C,CCCC1OP(=S)(OP2(=S)OCC(C)(C)C(CCC)O2)OCC1(C)C,"InChI=1/C16H32O5P2S2/c1-7-9-13-15(3,4)11-17-22(24,19-13)21-23(25)18-12-16(5,6)14(20-23)10-8-2/h13-14H,7-12H2,1-6H3",C16H32O5P2S2,,,,,,BLSAXTJFILNVBX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.907,261-518-2,58951-08-9,"2,3-dihydro-2,5-dimethyl-1,4-dithiin 1,1,4,4-tetraoxide","2,5-dimethyl-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide",CC1CS(=O)(=O)C(=CS1(=O)=O)C,CC1CS(=O)(=O)C(=CS1(=O)=O)C,"InChI=1/C6H10O4S2/c1-5-3-12(9,10)6(2)4-11(5,7)8/h3,6H,4H2,1-2H3",C6H10O4S2,,,,,,WICDRHMSCYGNQI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.428,262-091-5,60160-25-0,4-(1-phenylethyl)-N-[4-(1-phenylethyl)phenyl]aniline,4-(1-phenylethyl)-N-[4-(1-phenylethyl)phenyl]aniline,CC(c1ccccc1)c2ccc(Nc3ccc(cc3)C(C)c4ccccc4)cc2,CC(c1ccccc1)c2ccc(Nc3ccc(cc3)C(C)c4ccccc4)cc2,"InChI=1/C28H27N/c1-21(23-9-5-3-6-10-23)25-13-17-27(18-14-25)29-28-19-15-26(16-20-28)22(2)24-11-7-4-8-12-24/h3-22,29H,1-2H3",C28H27N,,,,,,BRWSDEFCJGIRLV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.434,262-097-8,60175-95-3,Omonasteine,"1,3-thiazinane-4-carboxylic acid",OC(=O)C1CCSCN1,OC(=O)C1CCSCN1,"InChI=1/C5H9NO2S/c7-5(8)4-1-2-9-3-6-4/h4,6H,1-3H2,(H,7,8)",C5H9NO2S,,,,,,JZKHUBWXBZINMO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.441,262-104-4,60207-90-1,"1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole","1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole",CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,"InChI=1/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3",C15H17Cl2N3O2,,,,,,STJLVHWMYQXCPB-UHFFFAOYSA-N,Positive,SM841502;EA021201|EA021202|EA021203|EA021204|EA021205|EA021206|EA021207|EA021208|EA021209|EA021210|EA021211|EA021212|EA021213|EA021214;ET240001|ET240002|ET240003|ET240004;UF403501|UF403502|UF403503|UF403504,[M+H]+;[M+H]+;[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD30|HCD40|HCD50|HCD70;HCD55|HCD80|CID35|CID55,342.0772:158.9763:69.0699;158.9763:204.9817:273.044|342.0771:70.0399|342.077:158.9763:69.0699|158.9763:69.0699:186.9712|158.9764:69.0699:172.9556|158.9764:172.9558:69.0699|158.9764:172.9564:122.9996|342.0769:69.0697:273.0447|342.0766:158.9762:69.0699|158.9763:69.0699:186.9711|158.9763:69.0699:172.9555|158.9763:172.9555:69.0699|158.9763:172.9555:122.9996|158.9763:204.9818:273.0442;158.9762:69.0699:342.0768|158.9763:69.0699:186.9711|158.9761:69.0698:172.9553|158.9762:172.9554:69.0699;158.9761:172.9555:186.9712|158.9761:172.9554:70.0398|158.9762:204.9817:273.0442|158.9762:204.9818:273.0444,CASMI_2016;Eawag;Eawag_Additional_Specs;UFZ,,,,,
100.056.450,262-114-9,60239-68-1,"N,N-bis(2-hydroxyethyl)undec-10-enamide","N,N-bis(2-hydroxyethyl)undec-10-enamide",OCCN(CCO)C(=O)CCCCCCCCC=C,OCCN(CCO)C(=O)CCCCCCCCC=C,"InChI=1/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h2,17-18H,1,3-14H2",C15H29NO3,,,,,,NGENVFQAIKEQNS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.451,262-115-4,60241-52-3,"a-ethyl-2,2,6-trimethylcyclohexanepropanol","1-(2,2,6-trimethylcyclohexyl)pentan-3-ol",CCC(O)CCC1C(C)CCCC1(C)C,CCC(O)CCC1C(C)CCCC1(C)C,"InChI=1/C14H28O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h11-13,15H,5-10H2,1-4H3",C14H28O,,,,,,KFDLIAUEUFWVDE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.458,262-123-8,60248-23-9,Fuprazole,"1-(3-cyclopenta-1,3-dien-1-ylbut-3-en-1-yl)-2-{[4-(3-phenylprop-2-en-1-yl)cyclohexyl]methyl}-1H-indene",C=C(CCC3c4ccccc4\\C=C3\\CC2CCC(CC=Cc1ccccc1)CC2)C=5C\\C=C/C=5,C=C(CCC3c4ccccc4\C=C3\CC2CCC(CC=Cc1ccccc1)CC2)C=5C\C=C/C=5,"InChI=1/C34H38/c1-26(30-14-5-6-15-30)18-23-34-32(25-31-16-7-8-17-33(31)34)24-29-21-19-28(20-22-29)13-9-12-27-10-3-2-4-11-27/h2-12,14,16-17,25,28-29,34H,1,13,15,18-24H2",C28H30N4O2,,,,,,RQUKIIKNSIDBNY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.813,263-615-5,62586-96-3,"a,a-dicyclopropyl-4-fluorobenzyl alcohol",dicyclopropyl(4-fluorophenyl)methanol,OC(C1CC1)(C2CC2)c3ccc(F)cc3,OC(C1CC1)(C2CC2)c3ccc(F)cc3,"InChI=1/C13H15FO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4H2",C13H15FO,,,,,,UZLKOZBJNPWGSK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.818,263-620-2,62593-33-3,"Heptane-3,4-diol","heptane-3,4-diol",CCCC(O)C(O)CC,CCCC(O)C(O)CC,"InChI=1/C7H16O2/c1-3-5-7(9)6(8)4-2/h6-9H,3-5H2,1-2H3",C7H16O2,,,,,,ZNZZFXONMYVVGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.822,263-624-4,62604-62-0,"1,1',1''-(1,1,3-trimethyl-5-methylenepentane-1,3,5-triyl)tribenzene","1,1',1''-(4,6-dimethylhept-1-ene-2,4,6-triyl)tribenzene",CC(C)(CC(C)(CC(=C)c1ccccc1)c2ccccc2)c3ccccc3,CC(C)(CC(C)(CC(=C)c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C27H30/c1-22(23-14-8-5-9-15-23)20-27(4,25-18-12-7-13-19-25)21-26(2,3)24-16-10-6-11-17-24/h5-19H,1,20-21H2,2-4H3",C27H30,,,,,,OAMAKKTXAPRVDG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.937,267-051-0,67774-74-7,"Benzene, C10-13-alkyl derivs.",undecylbenzene,CCCCCCCCCCCc1ccccc1,CCCCCCCCCCCc1ccccc1,"InChI=1/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3",-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15763,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.937,XBEADGFTLHRJRB-UHFFFAOYSA-N,,,,,,,,,,,
100.060.956,267-072-5,67785-77-7,"a,a-dimethylphenethyl propionate","1,1-dimethyl-2-phenylethyl propionate",CCC(=O)OC(C)(C)Cc1ccccc1,CCC(=O)OC(C)(C)Cc1ccccc1,"InChI=1/C13H18O2/c1-4-12(14)15-13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3",C13H18O2,,,,,,BLKIYRRGHOQSPP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.804,260-304-6,56639-50-0,Bis(decanoato-O)hydroxyaluminium,aluminum hydroxide didecanoate,CCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCC,CCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCC,"InChI=1/2C10H20O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10(11)12;;/h2*2-9H2,1H3,(H,11,12);;1H2/q;;+3;/p-3/rC20H39AlO5/c1-3-5-7-9-11-13-15-17-19(22)25-21(24)26-20(23)18-16-14-12-10-8-6-4-2/h24H,3-18H2,1-2H3",C20H39AlO5,,,,,,JBMLJVQLMILUCO-UHFFFAOYSA-K,,,,,,,,,,,
100.054.813,260-314-0,56652-39-2,Dimethyl 3-hydroxy-3-methylglutarate,dimethyl 3-hydroxy-3-methylpentanedioate,COC(=O)CC(C)(O)CC(=O)OC,COC(=O)CC(C)(O)CC(=O)OC,"InChI=1/C8H14O5/c1-8(11,4-6(9)12-2)5-7(10)13-3/h11H,4-5H2,1-3H3",C8H14O5,,,,,,ANEMYUYZEOZEJW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.817,260-318-2,56663-33-3,Magnesium bisphosphinate,magnesium bis(phosphinate),[Mg+2].[O-]P=O.[O-]P=O,[Mg+2].[O-]P=O.[O-]P=O,"InChI=1/Mg.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",H3O2P.1/2Mg,,,,,,SEQVSYFEKVIYCP-UHFFFAOYSA-L,,,,,,,,,,,
100.054.836,260-339-7,56686-90-9,"5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-7-[[6-(methoxymethoxy)-5-[[(4-methylphenyl)sulfonyl]amino]-1,6-dioxohexyl]amino]-8-oxo-, methoxymethyl ester, [6R-[6a,7a,7(R*)]]-",methoxymethyl 3-[(carbamoyloxy)methyl]-7-methoxy-7-{[6-(methoxymethoxy)-5-{[(4-methylphenyl)sulfonyl]amino}-6-oxohexanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,COCOC(=O)C(CCCC(=O)NC1(OC)C2SCC(=C(N2C1=O)C(=O)OCOC)COC(=O)N)NS(=O)(=O)c3ccc(C)cc3,COCOC(=O)C(CCCC(=O)NC1(OC)C2SCC(=C(N2C1=O)C(=O)OCOC)COC(=O)N)NS(=O)(=O)c3ccc(C)cc3,"InChI=1/C27H36N4O13S2/c1-16-8-10-18(11-9-16)46(37,38)30-19(22(33)43-14-39-2)6-5-7-20(32)29-27(41-4)24(35)31-21(23(34)44-15-40-3)17(12-42-26(28)36)13-45-25(27)31/h8-11,19,25,30H,5-7,12-15H2,1-4H3,(H2,28,36)(H,29,32)",C27H36N4O13S2,,,,,,YBVOYFJRYXRGHG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.839,260-342-3,56695-66-0,Sodium 2-hexyl-5-hydroxycyclopentaneheptanoate,sodium 7-(2-hexyl-5-hydroxycyclopentyl)heptanoate,[Na+].CCCCCCC1CCC(O)C1CCCCCCC(=O)[O-],[Na+].CCCCCCC1CCC(O)C1CCCCCCC(=O)[O-],"InChI=1/C18H34O3.Na/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21;/h15-17,19H,2-14H2,1H3,(H,20,21);/q;+1/p-1",C18H34O3.Na,,,,,,ALNUHUMOGUVHIO-UHFFFAOYSA-M,,,,,,,,,,,
100.054.841,260-344-4,56698-05-6,"2,6-dinitro-N-(4-nitrophenyl)aniline","2,6-dinitro-N-(4-nitrophenyl)aniline",[O-][N+](=O)c1ccc(Nc2c(cccc2[N+](=O)[O-])[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Nc2c(cccc2[N+](=O)[O-])[N+](=O)[O-])cc1,"InChI=1/C12H8N4O6/c17-14(18)9-6-4-8(5-7-9)13-12-10(15(19)20)2-1-3-11(12)16(21)22/h1-7,13H",C12H8N4O6,,,,,,UYOBTECBBHWNJV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.843,260-347-0,56705-75-0,Potassium 2-cyclohexylphenolate,potassium 2-cyclohexylphenolate,[K+].[O-]c1ccccc1C2CCCCC2,[K+].[O-]c1ccccc1C2CCCCC2,"InChI=1/C12H16O.K/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h4-5,8-10,13H,1-3,6-7H2;/q;+1/p-1",C12H16O.K,,,,,,SNPSNYDZHXRPAG-UHFFFAOYSA-M,,,,,,,,,,,
100.047.543,252-313-9,35001-51-5,"N-[5-(1,1-dimethylethyl)-2-ethoxyphenyl]-N'-[4-(1,1-dimethylethyl)-2-ethylphenyl]oxamide",N-(5-tert-butyl-2-ethoxyphenyl)-N'-(4-tert-butyl-2-ethylphenyl)ethanediamide,CCOc1ccc(cc1NC(=O)C(=O)Nc2ccc(cc2CC)C(C)(C)C)C(C)(C)C,CCOc1ccc(cc1NC(=O)C(=O)Nc2ccc(cc2CC)C(C)(C)C)C(C)(C)C,"InChI=1/C26H36N2O3/c1-9-17-15-18(25(3,4)5)11-13-20(17)27-23(29)24(30)28-21-16-19(26(6,7)8)12-14-22(21)31-10-2/h11-16H,9-10H2,1-8H3,(H,27,29)(H,28,30)",C26H36N2O3,,,,,,HMYBQGXAGRYFPW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.544,252-314-4,35001-52-6,"N-[5-(1,1-dimethylethyl)-2-ethoxyphenyl]-N'-(2-ethylphenyl)oxamide",N-(5-tert-butyl-2-ethoxyphenyl)-N'-(2-ethylphenyl)ethanediamide,CCOc1ccc(cc1NC(=O)C(=O)Nc2ccccc2CC)C(C)(C)C,CCOc1ccc(cc1NC(=O)C(=O)Nc2ccccc2CC)C(C)(C)C,"InChI=1/C22H28N2O3/c1-6-15-10-8-9-11-17(15)23-20(25)21(26)24-18-14-16(22(3,4)5)12-13-19(18)27-7-2/h8-14H,6-7H2,1-5H3,(H,23,25)(H,24,26)",C22H28N2O3,,,,,,ZBNMOUGFCKAGGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.554,252-325-4,35031-06-2,"(Z)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one","4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one",CC(=O)\\C=C/C1=C(C)CCCC1(C)C,CC(=O)\C=C/C1=C(C)CCCC1(C)C,"InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3",C13H20O,,,,,,PSQYTAPXSHCGMF-FPLPWBNLSA-N,,,,,,,,,,,
100.061.526,267-699-4,67906-30-3,7-[(2-amino-1-naphthyl)azo]-3-phenyl-2-benzopyrone,7-[(2-amino-1-naphthyl)diazenyl]-3-phenyl-2H-chromen-2-one,Nc1ccc2ccccc2c1N=Nc3ccc4C=C(C(=O)Oc4c3)c5ccccc5,Nc1ccc2ccccc2c1N=Nc3ccc4C=C(C(=O)Oc4c3)c5ccccc5,"InChI=1/C25H17N3O2/c26-22-13-11-17-8-4-5-9-20(17)24(22)28-27-19-12-10-18-14-21(16-6-2-1-3-7-16)25(29)30-23(18)15-19/h1-15H,26H2",C25H17N3O2,,,,,,WHDOBXLBYBWVMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.532,267-706-0,67906-39-2,4-[methyl[(nonafluorobutyl)sulphonyl]amino]butyl methacrylate,4-{methyl[(nonafluorobutyl)sulfonyl]amino}butyl methacrylate,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H16F9NO4S/c1-8(2)9(24)27-7-5-4-6-23(3)28(25,26)13(21,22)11(16,17)10(14,15)12(18,19)20/h1,4-7H2,2-3H3",C13H16F9NO4S,,,,,,GJCCTHAVFKJHMN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.533,267-707-6,67906-40-5,4-[methyl[(undecafluoropentyl)sulphonyl]amino]butyl methacrylate,4-{methyl[(undecafluoropentyl)sulfonyl]amino}butyl methacrylate,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H16F11NO4S/c1-8(2)9(27)30-7-5-4-6-26(3)31(28,29)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h1,4-7H2,2-3H3",C14H16F11NO4S,,,,,,OSMPUFUJALYWAR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.535,267-709-7,67906-42-7,Ammonium henicosafluorodecanesulphonate,"ammonium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonate",[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10HF21O3S.H3N/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34;/h(H,32,33,34);1H3",C10HF21O3S.H3N,,,,,,KVTQOQYMILOCBD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.542,267-717-0,67906-49-4,Disodium 5-[(4-acetamidophenyl)azo]-8-[(4-amino-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,disodium 5-[(4-acetamidophenyl)diazenyl]-8-[(4-amino-6-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc5c(c1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(C)=O)c3ccc(cc34)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc5c(c1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(C)=O)c3ccc(cc34)S([O-])(=O)=O,"InChI=1/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-27-12-13-28(24-15-20(43(39,40)41)7-9-22(24)27)34-33-26-11-10-25(29)23-14-19(42(36,37)38)6-8-21(23)26;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C28H22N6O7S2.2Na,,,,,,ZLMUIBIOFUPMMK-UHFFFAOYSA-L,,,,,,,,,,,
100.061.549,267-724-9,67906-57-4,"Calcium 4-[(2,4-dichloro-3-methyl-6-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate","calcium 4-[(2,4-dichloro-3-methyl-6-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate",[Ca+2].Clc3c(C)c(Cl)cc(c3N=Nc1c2ccccc2cc(C([O-])=O)c1O)S([O-])(=O)=O,[Ca+2].Clc3c(C)c(Cl)cc(c3N=Nc1c2ccccc2cc(C([O-])=O)c1O)S([O-])(=O)=O,"InChI=1/C18H12Cl2N2O6S.Ca/c1-8-12(19)7-13(29(26,27)28)16(14(8)20)22-21-15-10-5-3-2-4-9(10)6-11(17(15)23)18(24)25;/h2-7,23H,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2",C18H12Cl2N2O6S.Ca,,,,,,QCJHTJXZHWCULG-UHFFFAOYSA-L,,,,,,,,,,,
100.061.552,267-728-0,67906-60-9,3-[ethyl[3-methyl-4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]propiononitrile,3-[ethyl(3-methyl-4-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}phenyl)amino]propanenitrile,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CCC#N)c(c2)S(C)(=O)=O,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CCC#N)c(c2)S(C)(=O)=O,"InChI=1/C19H21N5O4S/c1-4-23(11-5-10-20)15-6-8-17(14(2)12-15)21-22-18-9-7-16(24(25)26)13-19(18)29(3,27)28/h6-9,12-13H,4-5,11H2,1-3H3",C19H21N5O4S,,,,,,DSWGJDDMNDOKIV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.557,267-733-8,67907-13-5,Sodium 2-[[4-[[4-[[p-tolylsulphonyl]oxy]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate,sodium 2-({4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonate,[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccc(C)cc4,[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccc(C)cc4,"InChI=1/C25H20N4O8S2.Na/c1-17-2-13-23(14-3-17)39(35,36)37-22-11-8-20(9-12-22)28-27-19-6-4-18(5-7-19)26-24-15-10-21(29(30)31)16-25(24)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1",C25H20N4O8S2.Na,,,,,,YHJVPXFPBGVPQF-UHFFFAOYSA-M,,,,,,,,,,,
100.055.959,261-575-3,59052-82-3,Cyclododecyl formate,cyclododecyl formate,O=COC1CCCCCCCCCCC1,O=COC1CCCCCCCCCCC1,"InChI=1/C13H24O2/c14-12-15-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2",C13H24O2,,,,,,WGFQFIYJBLNXIF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.961,261-577-4,59055-00-4,"2-methyl-2-butene-1,4-diyl (Z)-diacetate","2-methylbut-2-ene-1,4-diyl diacetate",CC(=O)OCC=C(C)COC(=O)C,CC(=O)OCC=C(C)COC(=O)C,"InChI=1/C9H14O4/c1-7(6-13-9(3)11)4-5-12-8(2)10/h4H,5-6H2,1-3H3",C9H14O4,,,,,,LJPNEMAMFITRSO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.967,261-584-2,59056-72-3,"1-(octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)ethanone","1-(7,7,8,8-tetramethyloctahydro-2,3b-methanocyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)ethanone",CC(=O)C1CCC(C)(C)C23CC4CC2C13C4(C)C,CC(=O)C1CCC(C)(C)C23CC4CC2C13C4(C)C,"InChI=1/C17H26O/c1-10(18)12-6-7-14(2,3)16-9-11-8-13(16)17(12,16)15(11,4)5/h11-13H,6-9H2,1-5H3",C17H26O,,,,,,HKTIONFMGKWLBV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.402,253-259-9,36895-62-2,Methenamine allyloiodide,"1-allyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane",C=CC[N+]12CN3CN(CN(C3)C1)C2,C=CC[N+]12CN3CN(CN(C3)C1)C2,"InChI=1/C9H17N4/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13/h2H,1,3-9H2/q+1",C9H17N4.I,,,,,,GICBAHNYFYTOCG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.417,253-276-1,36928-64-0,"Dimethyl dihydrogen 4,4'-carbonylbisphthalate","3,3'-carbonylbis[6-(methoxycarbonyl)benzoic acid]",COC(=O)c1ccc(cc1C(=O)O)C(=O)c2ccc(C(=O)OC)c(c2)C(=O)O,COC(=O)c1ccc(cc1C(=O)O)C(=O)c2ccc(C(=O)OC)c(c2)C(=O)O,"InChI=1/C19H14O9/c1-27-18(25)11-5-3-9(7-13(11)16(21)22)15(20)10-4-6-12(19(26)28-2)14(8-10)17(23)24/h3-8H,1-2H3,(H,21,22)(H,23,24)",C19H14O9,,,,,,ZCDIDXLJWKRUGC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.418,253-277-7,36930-63-9,5-(2-(2-iodoacetamido)ethylamino)-1-naphthalenesulphonic acid,5-({2-[(iodoacetyl)amino]ethyl}amino)naphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc2c(NCCNC(=O)CI)cccc12,OS(=O)(=O)c1cccc2c(NCCNC(=O)CI)cccc12,"InChI=1/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)",C14H15IN2O4S,,,,,,ZMERMCRYYFRELX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.420,253-279-8,36930-73-1,"N-(1,1,3,3-tetramethylbutyl)benzothiazole-2-sulphenamide","N-(1,3-benzothiazol-2-ylsulfanyl)-2,4,4-trimethylpentan-2-amine",CC(C)(C)CC(C)(C)NSc1nc2ccccc2s1,CC(C)(C)CC(C)(C)NSc1nc2ccccc2s1,"InChI=1/C15H22N2S2/c1-14(2,3)10-15(4,5)17-19-13-16-11-8-6-7-9-12(11)18-13/h6-9,17H,10H2,1-5H3",C15H22N2S2,,,,,,XKIDASBNXGXGLR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.432,253-292-9,36968-27-1,4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide,4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2)C(N)=O)c3O,COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2)C(N)=O)c3O,"InChI=1/C25H20N4O4/c1-33-21-9-5-4-8-20(21)27-25(32)19-14-16-6-2-3-7-18(16)22(23(19)30)29-28-17-12-10-15(11-13-17)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)",C25H20N4O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10838,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.432,HULNYTPFPARJMG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.433,253-293-4,36969-89-8,Dimethyl (2-oxoheptyl)phosphonate,dimethyl (2-oxoheptyl)phosphonate,CCCCCC(=O)CP(=O)(OC)OC,CCCCCC(=O)CP(=O)(OC)OC,"InChI=1/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3",C9H19O4P,,,,,,LQZCYXCHWNQBKX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.753,256-947-7,51070-55-4,"Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide","N-methyltetrahydrothiophen-3-amine 1,1-dioxide",CNC1CCS(=O)(=O)C1,CNC1CCS(=O)(=O)C1,"InChI=1/C5H11NO2S/c1-6-5-2-3-9(7,8)4-5/h5-6H,2-4H2,1H3",C5H11NO2S,,,,,,MGNJNMNVFHVRHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.759,256-954-5,51079-10-8,Ethyl indol-3-ylglyoxylate,ethyl 1H-indol-3-yl(oxo)acetate,CCOC(=O)C(=O)c1c[nH]c2ccccc12,CCOC(=O)C(=O)c1c[nH]c2ccccc12,"InChI=1/C12H11NO3/c1-2-16-12(15)11(14)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3",C12H11NO3,,,,,,WTPMFFQBDYIARF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.761,256-956-6,51082-21-4,"2-(4,8-dimethylnona-3,7-dienyl)pyridine","2-(4,8-dimethylnona-3,7-dien-1-yl)pyridine",C/C(C)=C\\CCC(C)=CCCc1ccccn1,C/C(C)=C\CCC(C)=CCCc1ccccn1,"InChI=1/C16H23N/c1-14(2)8-6-9-15(3)10-7-12-16-11-4-5-13-17-16/h4-5,8,10-11,13H,6-7,9,12H2,1-3H3",C16H23N,,,,,,ZNQSUAAJUQLBDE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.762,256-957-1,51084-27-6,2-chloro-4-sulphobenzoic acid,2-chloro-4-sulfobenzoic acid,OC(=O)c1ccc(cc1Cl)S(=O)(=O)O,OC(=O)c1ccc(cc1Cl)S(=O)(=O)O,"InChI=1/C7H5ClO5S/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13)",C7H5ClO5S,,,,,,ZTRKCBFXSUUQGS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.765,256-960-8,51085-52-0,5-nitro-o-toluidinium chloride,2-methyl-5-nitroanilinium chloride,[Cl-].Cc1ccc(cc1[NH3+])[N+](=O)[O-],[Cl-].Cc1ccc(cc1[NH3+])[N+](=O)[O-],"InChI=1/C7H8N2O2.ClH/c1-5-2-3-6(9(10)11)4-7(5)8;/h2-4H,8H2,1H3;1H",C7H8N2O2.ClH,,,,,,YTODVWJSAZXJHG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.776,256-972-3,51115-63-0,2-methylbutyl salicylate,2-methylbutyl salicylate,CCC(C)COC(=O)c1ccccc1O,CCC(C)COC(=O)c1ccccc1O,"InChI=1/C12H16O3/c1-3-9(2)8-15-12(14)10-6-4-5-7-11(10)13/h4-7,9,13H,3,8H2,1-2H3",C12H16O3,,,,,,LCMNCRZMVCRJNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.781,256-978-6,51115-70-9,"N,2-diethyl-2-(isopropyl)-3-methylbutyramide","N,2-diethyl-2-isopropyl-3-methylbutanamide",CCNC(=O)C(CC)(C(C)C)C(C)C,CCNC(=O)C(CC)(C(C)C)C(C)C,"InChI=1/C12H25NO/c1-7-12(9(3)4,10(5)6)11(14)13-8-2/h9-10H,7-8H2,1-6H3,(H,13,14)",C12H25NO,,,,,,PCOMMNVANAQDMV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.787,256-984-9,51115-78-7,2-sec-butyl-N-ethyl-4-methylvaleramide,N-ethyl-2-isobutyl-3-methylpentanamide,CCNC(=O)C(CC(C)C)C(C)CC,CCNC(=O)C(CC(C)C)C(C)CC,"InChI=1/C12H25NO/c1-6-10(5)11(8-9(3)4)12(14)13-7-2/h9-11H,6-8H2,1-5H3,(H,13,14)",C12H25NO,,,,,,QVCDGEQFSCTPBS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.789,256-987-5,51115-80-1,"N-ethyl-2-isobutyl-2,4-dimethylvaleramide","N-ethyl-2-isobutyl-2,4-dimethylpentanamide",CCNC(=O)C(C)(CC(C)C)CC(C)C,CCNC(=O)C(C)(CC(C)C)CC(C)C,"InChI=1/C13H27NO/c1-7-14-12(15)13(6,8-10(2)3)9-11(4)5/h10-11H,7-9H2,1-6H3,(H,14,15)",C13H27NO,,,,,,ZPWOHLYYRKICAA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.824,263-627-0,62604-71-1,1-(hydroxymethyl)pentadecyl palmitate,1-(hydroxymethyl)pentadecyl palmitate,CCCCCCCCCCCCCCCC(=O)OC(CO)CCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC(CO)CCCCCCCCCCCCCC,"InChI=1/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)35-31(30-33)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33H,3-30H2,1-2H3",C32H64O3,,,,,,YWTJQRJNUMEJEN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.829,263-632-8,62609-85-2,"2-chloro-N-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxovaleramide","2-chloro-N-(2,4-dichlorophenyl)-4,4-dimethyl-3-oxopentanamide",CC(C)(C)C(=O)C(Cl)C(=O)Nc1ccc(Cl)cc1Cl,CC(C)(C)C(=O)C(Cl)C(=O)Nc1ccc(Cl)cc1Cl,"InChI=1/C13H14Cl3NO2/c1-13(2,3)11(18)10(16)12(19)17-9-5-4-7(14)6-8(9)15/h4-6,10H,1-3H3,(H,17,19)",C13H14Cl3NO2,,,,,,NQACSEZYALURGG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.830,263-633-3,62609-86-3,4-oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid,(4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetic acid,OC(=O)CN1CC(=O)N(C1=S)c2ccccc2,OC(=O)CN1CC(=O)N(C1=S)c2ccccc2,"InChI=1/C11H10N2O3S/c14-9-6-12(7-10(15)16)11(17)13(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)",C11H10N2O3S,,,,,,RKOKREQSBUSBRK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.833,263-637-5,62609-95-4,"Trisodium 3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonate","trisodium 3-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cccc1c4cc(cc1S([O-])(=O)=O)N=NC3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cccc1c4cc(cc1S([O-])(=O)=O)N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,"InChI=1/C20H16N4O10S3.3Na/c1-11-19(20(25)24(23-11)13-5-7-14(8-6-13)35(26,27)28)22-21-12-9-16-15(18(10-12)37(32,33)34)3-2-4-17(16)36(29,30)31;;;/h2-10,19H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3",C20H16N4O10S3.3Na,,,,,,ONPVJTNZMBIEFF-UHFFFAOYSA-K,,,,,,,,,,,
100.057.834,263-638-0,62613-15-4,Diphenyliodonium hexafluoroarsenate,diphenyliodonium hexafluoroarsenate(1-),F[As-](F)(F)(F)(F)F.[I+](c1ccccc1)c2ccccc2,F[As-](F)(F)(F)(F)F.[I+](c1ccccc1)c2ccccc2,"InChI=1/C12H10I.AsF6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4,5,6)7/h1-10H;/q+1;-1",C12H10I.AsF6,,,,,,KFGZTBBPOZNSHA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.838,263-642-2,62614-61-3,"4-(hexyloxy)phenyl (S)-4'-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate",4-(hexyloxy)phenyl 4'-(2-methylbutyl)biphenyl-4-carboxylate,CCCCCCOc1ccc(OC(=O)c2ccc(cc2)c3ccc(C[C@@H](C)CC)cc3)cc1,CCCCCCOc1ccc(OC(=O)c2ccc(cc2)c3ccc(C[C@@H](C)CC)cc3)cc1,"InChI=1/C30H36O3/c1-4-6-7-8-21-32-28-17-19-29(20-18-28)33-30(31)27-15-13-26(14-16-27)25-11-9-24(10-12-25)22-23(3)5-2/h9-20,23H,4-8,21-22H2,1-3H3",C30H36O3,,,,,,PBIDXTRUDSJION-QHCPKHFHSA-N,,,,,,,,,,,
100.057.839,263-643-8,62622-42-8,"4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate",4'-cyanobiphenyl-4-yl 4'-pentylbiphenyl-4-carboxylate,CCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(cc3)c4ccc(cc4)C#N,CCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(cc3)c4ccc(cc4)C#N,"InChI=1/C31H27NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h6-21H,2-5H2,1H3",C31H27NO2,,,,,,VQODCFCSVNXBEE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.736,265-729-0,65384-84-1,"Diphosphoric acid, compound with (aminoiminomethyl)urea (1:4)",diphosphoric acid - 1-carbamimidoylurea (1:4),NC(=N)NC(=O)N.NC(=N)NC(=O)N.NC(=N)NC(=O)N.NC(=N)NC(=O)N.OP(=O)(O)OP(=O)(O)O,NC(=N)NC(=O)N.NC(=N)NC(=O)N.NC(=N)NC(=O)N.NC(=N)NC(=O)N.OP(=O)(O)OP(=O)(O)O,"InChI=1/4C2H6N4O.H4O7P2/c4*3-1(4)6-2(5)7;1-8(2,3)7-9(4,5)6/h4*(H6,3,4,5,6,7);(H2,1,2,3)(H2,4,5,6)",C2H6N4O.1/4H4O7P2,,,,,,XZHWKCACWNHHPL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.739,265-732-7,65400-98-8,"N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-6-hydroxy-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide","N-(3,4-dichlorophenyl)-6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide",CN1C(=C(C(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=O)O,CN1C(=C(C(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=O)O,"InChI=1/C13H11Cl2N3O4/c1-17-11(20)9(12(21)18(2)13(17)22)10(19)16-6-3-4-7(14)8(15)5-6/h3-5,20H,1-2H3,(H,16,19)",C13H11Cl2N3O4,,,,,,COHTVILOUURPNC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.744,265-737-4,65405-67-6,4'methoxy-2-methylcinnamaldehyde,3-(4-methoxyphenyl)-2-methylacrylaldehyde,COc1ccc(C=C(C)C=O)cc1,COc1ccc(C=C(C)C=O)cc1,"InChI=1/C11H12O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-8H,1-2H3",C11H12O2,,,,,,BNBBFUJNMYQYLA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.748,265-742-1,65405-72-3,"1,2,3,4,4a,7,8,8a-octahydro-2,4a,5,8a-tetramethyl-1-naphthyl formate","2,4a,5,8a-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl formate",CC1CCC2(C)C(=CCCC2(C)C1OC=O)C,CC1CCC2(C)C(=CCCC2(C)C1OC=O)C,"InChI=1/C15H24O2/c1-11-7-9-14(3)12(2)6-5-8-15(14,4)13(11)17-10-16/h6,10-11,13H,5,7-9H2,1-4H3",C15H24O2,,,,,,DAWDTDPJINNEJM-UHFFFAOYSA-N,,,,,,,,,,,
100.061.504,267-675-3,67905-54-8,"N-[2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-inden-5-yl]acetamide","N-[2-(3-hydroxyquinolin-2-yl)-1,3-dioxo-2,3-dihydro-1H-inden-5-yl]acetamide",CC(=O)Nc1ccc2C(=O)C(C(=O)c2c1)c3nc4ccccc4cc3O,CC(=O)Nc1ccc2C(=O)C(C(=O)c2c1)c3nc4ccccc4cc3O,"InChI=1/C20H14N2O4/c1-10(23)21-12-6-7-13-14(9-12)20(26)17(19(13)25)18-16(24)8-11-4-2-3-5-15(11)22-18/h2-9,17,24H,1H3,(H,21,23)",C20H14N2O4,,,,,,PJFVJUNLDVPCGU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.916,261-528-7,58966-09-9,(E)-ß-methoxy-a-methylstyrene,(2-methoxy-1-methylvinyl)benzene,CO\\C=C(/C)\\c1ccccc1,CO\C=C(/C)\c1ccccc1,"InChI=1/C10H12O/c1-9(8-11-2)10-6-4-3-5-7-10/h3-8H,1-2H3",C10H12O,,,,,,ULUXLULNGFEVHJ-CMDGGOBGSA-N,,,,,,,,,,,
100.047.557,252-329-6,35038-32-5,"Methyl (2S-trans)-13-ethyl-2,3-dihydro-18-(methoxycarbonyl)-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionate","methyl 12-ethyl-5-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-17-vinyl-2H,3H-porphine-7-carboxylate",CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)OC)C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)OC)C(=C3C)C(=O)OC,CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)OC)C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)OC)C(=C3C)C(=O)OC,"InChI=1/C37H40N4O6/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26/h10,15-17,20,24H,1,11-14H2,2-9H3",C37H42N4O6,,,,,,AADKPQMVCNQJCT-RDPSFJRHSA-N,,,,,,,,,,,
100.047.561,252-333-8,35044-57-6,"Ethyl 2,6,6-trimethylcyclohexa-2,4-diene-1-carboxylate","ethyl 2,6,6-trimethylcyclohexa-2,4-diene-1-carboxylate",CCOC(=O)C1C(=CC=CC1(C)C)C,CCOC(=O)C1C(=CC=CC1(C)C)C,"InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-8,10H,5H2,1-4H3",C12H18O2,,,,,,ZANQMOGWQBCGBN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.563,252-335-9,35044-59-8,"Ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate","ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate",CCOC(=O)C1=C(C)C=CCC1(C)C,CCOC(=O)C1=C(C)C=CCC1(C)C,"InChI=1/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3",C12H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11822,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.563,KYEZYLFPHRVFBF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.566,252-339-0,35050-10-3,4-methyl-2-undecyl-1H-imidazole,4-methyl-2-undecyl-1H-imidazole,CCCCCCCCCCCc1nc(C)c[nH]1,CCCCCCCCCCCc1nc(C)c[nH]1,"InChI=1/C15H28N2/c1-3-4-5-6-7-8-9-10-11-12-15-16-13-14(2)17-15/h13H,3-12H2,1-2H3,(H,16,17)",C15H28N2,,,,,,JQEVCCUJHLRAEY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.570,252-343-2,35073-27-9,2-methylbutyl formate,2-methylbutyl formate,CCC(C)COC=O,CCC(C)COC=O,"InChI=1/C6H12O2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3",C6H12O2,,,,,,DWORILFBIRYUDC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.030,266-053-9,66003-80-3,"4,4'-methylenebis[2,6-dicyclopentylphenol]","4,4'-methylenebis(2,6-dicyclopentylphenol)",Oc1c(cc(Cc2cc(C3CCCC3)c(O)c(c2)C4CCCC4)cc1C5CCCC5)C6CCCC6,Oc1c(cc(Cc2cc(C3CCCC3)c(O)c(c2)C4CCCC4)cc1C5CCCC5)C6CCCC6,"InChI=1/C33H44O2/c34-32-28(24-9-1-2-10-24)18-22(19-29(32)25-11-3-4-12-25)17-23-20-30(26-13-5-6-14-26)33(35)31(21-23)27-15-7-8-16-27/h18-21,24-27,34-35H,1-17H2",C33H44O2,,,,,,TUPXVPCNMFLLOS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.038,266-062-8,66008-71-7,"(carboxymethyl)dimethyl-3-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulphonyl]amino]propylammonium hydroxide","N-(carboxymethyl)-N,N-dimethyl-3-{methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}propan-1-aminium hydroxide",[OH-].CN(CCC[N+](C)(C)CC(=O)O)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[OH-].CN(CCC[N+](C)(C)CC(=O)O)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H21F13N2O4S.H2O/c1-30(6-4-7-31(2,3)9-10(32)33)36(34,35)8-5-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29;/h4-9H2,1-3H3;1H2",C16H21F13N2O4S,,,,,,CJAOAPNIVYGOLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.039,266-063-3,66008-72-8,"(2-carboxyethyl)dimethyl-3-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulphonyl]amino]propylammonium hydroxide","N-(2-carboxyethyl)-N,N-dimethyl-3-{methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}propan-1-aminium hydroxide",[OH-].CN(CCC[N+](C)(C)CCC(=O)O)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[OH-].CN(CCC[N+](C)(C)CCC(=O)O)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C17H23F13N2O4S.H2O/c1-31(7-4-8-32(2,3)9-5-11(33)34)37(35,36)10-6-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30;/h4-10H2,1-3H3;1H2",C17H23F13N2O4S,,,,,,XRJAIQOYBPBMQT-UHFFFAOYSA-N,,,,,,,,,,,
100.060.052,266-078-5,66028-00-0,[2-(2-chloroethoxy)ethoxy]bis(2-methylpropyl)benzene,"1-[2-(2-chloroethoxy)ethoxy]-2,3-diisobutylbenzene",CC(C)Cc1cccc(OCCOCCCl)c1CC(C)C,CC(C)Cc1cccc(OCCOCCCl)c1CC(C)C,"InChI=1/C18H29ClO2/c1-14(2)12-16-6-5-7-18(17(16)13-15(3)4)21-11-10-20-9-8-19/h5-7,14-15H,8-13H2,1-4H3",C18H29ClO2,,,,,,SSIYMIKHPYYCEF-UHFFFAOYSA-N,,,,,,,,,,,
100.060.060,266-086-9,66046-07-9,Potassium ditetradecyl phosphate,potassium ditetradecyl phosphate,[K+].CCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCC,[K+].CCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCC,"InChI=1/C28H59O4P.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3,(H,29,30);/q;+1/p-1",C28H59O4P.K,,,,,,NHESRIPTTROEPV-UHFFFAOYSA-M,,,,,,,,,,,
100.060.066,266-093-7,66052-90-2,Diammonium dihydrogen (1-hydroxyethylidene)bisphosphonate,"diammonium dihydrogen (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[NH4+].[NH4+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[NH4+].[NH4+].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.2H3N/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);2*1H3/p-2",C2H8O7P2.2H3N,,,,,,ARKNDEZWQXSEIA-UHFFFAOYSA-L,,,,,,,,,,,
100.060.963,267-079-3,67785-96-0,Ethyl(2-hydroxyethyl)[2-(oleoylamino)ethyl]ammonium ethyl sulphate,N-ethyl-2-hydroxy-N-[2-(oleoylamino)ethyl]ethanaminium ethyl sulfate,CCCCCCCC\\C=C/CCCCCCCC(=O)NCC[NH+](CC)CCO.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCC[NH+](CC)CCO.CCOS(=O)(=O)[O-],"InChI=1/C24H48N2O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27;1-2-6-7(3,4)5/h11-12,27H,3-10,13-23H2,1-2H3,(H,25,28);2H2,1H3,(H,3,4,5)",C24H48N2O2.C2H6O4S,,,,,,XTKIHDZTSWEJCX-AFEZEDKISA-N,,,,,,,,,,,
100.060.964,267-080-9,67785-97-1,(2-ethylhexyl)ammonium acetate,2-ethylhexan-1-aminium acetate,CCCCC(CC)C[NH3+].CC(=O)[O-],CCCCC(CC)C[NH3+].CC(=O)[O-],"InChI=1/C8H19N.C2H4O2/c1-3-5-6-8(4-2)7-9;1-2(3)4/h8H,3-7,9H2,1-2H3;1H3,(H,3,4)",C8H19N.C2H4O2,,,,,,GXTQNRRFHKNHQH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.978,261-596-8,59086-80-5,Dichloromethyltetradecylsilane,(dichloromethyl)(tetradecyl)silane,CCCCCCCCCCCCCC[SiH2]C(Cl)Cl,CCCCCCCCCCCCCC[SiH2]C(Cl)Cl,"InChI=1/C15H32Cl2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17/h15H,2-14,18H2,1H3",C15H32Cl2Si,,,,,,NISIPWQFNIQVEM-UHFFFAOYSA-N,,,,,,,,,,,
100.055.980,261-598-9,59089-67-7,"2',4'-difluoro[1,1'-biphenyl]-4-yl acetate","2',4'-difluorobiphenyl-4-yl acetate",CC(=O)Oc1ccc(cc1)c2ccc(F)cc2F,CC(=O)Oc1ccc(cc1)c2ccc(F)cc2F,"InChI=1/C14H10F2O2/c1-9(17)18-12-5-2-10(3-6-12)13-7-4-11(15)8-14(13)16/h2-8H,1H3",C14H10F2O2,,,,,,XJRFDJWJMQOWDU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.984,261-602-9,59097-99-3,"Benzoic acid, 3-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-, 1-butyl ester, compd. with pyridine (1:2)","5-acetamido-3-({2-[5-({2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-3-chloro-4-hydroxy-2-methylphenoxy]-5-(butoxycarbonyl)phenyl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid - pyridine (1:2)",OS(=O)(=O)c5cc1cc(cc(NC(C)=O)c1c(O)c5N=Nc4cc(ccc4Oc3cc(NC(=O)C(CC)Oc2ccc(cc2C(C)(C)CC)C(C)(C)CC)c(O)c(Cl)c3C)C(=O)OCCCC)S(O)(=O)=O.c1cnccc1.c1ccccn1,OS(=O)(=O)c5cc1cc(cc(NC(C)=O)c1c(O)c5N=Nc4cc(ccc4Oc3cc(NC(=O)C(CC)Oc2ccc(cc2C(C)(C)CC)C(C)(C)CC)c(O)c(Cl)c3C)C(=O)OCCCC)S(O)(=O)=O.c1cnccc1.c1ccccn1,"InChI=1/C50H59ClN4O14S2.2C5H5N/c1-11-15-20-67-48(60)29-16-18-39(34(22-29)54-55-44-41(71(64,65)66)23-30-21-32(70(61,62)63)25-35(52-28(6)56)42(30)46(44)58)69-40-26-36(45(57)43(51)27(40)5)53-47(59)37(12-2)68-38-19-17-31(49(7,8)13-3)24-33(38)50(9,10)14-4;2*1-2-4-6-5-3-1/h16-19,21-26,37,57-58H,11-15,20H2,1-10H3,(H,52,56)(H,53,59)(H,61,62,63)(H,64,65,66);2*1-5H",C50H59ClN4O14S2.2C5H5N,,,,,,GTDJETMMOMKJCD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.986,261-605-5,59113-36-9,Oxybispropanediol,"1,1'-oxydipropane-1,1-diol",CCC(O)(O)OC(O)(O)CC,CCC(O)(O)OC(O)(O)CC,"InChI=1/C6H14O5/c1-3-5(7,8)11-6(9,10)4-2/h7-10H,3-4H2,1-2H3",C6H14O5,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13661,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.986,INYYNOYMASELSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.987,261-606-0,59118-28-4,"5,7-dihydro-5,5,7,7-tetramethyl-3-(3-nitrophenyl)furo[3,4-e]-1,2,4-triazine","5,5,7,7-tetramethyl-3-(3-nitrophenyl)-5,7-dihydrofuro[3,4-e][1,2,4]triazine",CC1(C)OC(C)(C)c2nc(nnc12)c3cccc(c3)[N+](=O)[O-],CC1(C)OC(C)(C)c2nc(nnc12)c3cccc(c3)[N+](=O)[O-],"InChI=1/C15H16N4O3/c1-14(2)11-12(15(3,4)22-14)17-18-13(16-11)9-6-5-7-10(8-9)19(20)21/h5-8H,1-4H3",C15H16N4O3,,,,,,HAPHGZZVMBJCOX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.136,263-970-6,63150-14-1,(hydroxyethyl)dimethylammonium toluene-p-sulphonate,"1-hydroxy-N,N-dimethylethanaminium 4-methylbenzenesulfonate",CC(O)[NH+](C)C.Cc1ccc(cc1)S(=O)(=O)[O-],CC(O)[NH+](C)C.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.C4H11NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(6)5(2)3/h2-5H,1H3,(H,8,9,10);4,6H,1-3H3",C7H8O3S.C4H11NO,,,,,,TVRDHSVVDPKWKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.152,263-987-9,63182-19-4,"2,2'-[(9,10-dihydro-4,8-dinitro-9,10-dioxo-1,5-anthracenediyl)diimino]bis(2-oxoacetic) acid","2,2'-[(4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]bis(oxoacetic acid)",OC(=O)C(=O)Nc1ccc(c2C(=O)c3c(NC(=O)C(=O)O)ccc(c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],OC(=O)C(=O)Nc1ccc(c2C(=O)c3c(NC(=O)C(=O)O)ccc(c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H8N4O12/c23-13-9-5(19-15(25)17(27)28)1-3-7(21(31)32)11(9)14(24)10-6(20-16(26)18(29)30)2-4-8(12(10)13)22(33)34/h1-4H,(H,19,25)(H,20,26)(H,27,28)(H,29,30)",C18H8N4O12,,,,,,VQOBYYOBOWEHDA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.153,263-988-4,63182-20-7,"2,2'-[(9,10-dihydro-4,5-dinitro-9,10-dioxo-1,8-anthracenediyl)diimino]bis(2-oxoacetic) acid","2,2'-[(4,5-dinitro-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl)diimino]bis(oxoacetic acid)",OC(=O)C(=O)Nc1ccc(c2C(=O)c3c(C(=O)c12)c(NC(=O)C(=O)O)ccc3[N+](=O)[O-])[N+](=O)[O-],OC(=O)C(=O)Nc1ccc(c2C(=O)c3c(C(=O)c12)c(NC(=O)C(=O)O)ccc3[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H8N4O12/c23-13-9-5(19-15(25)17(27)28)1-3-7(21(31)32)11(9)14(24)12-8(22(33)34)4-2-6(10(12)13)20-16(26)18(29)30/h1-4H,(H,19,25)(H,20,26)(H,27,28)(H,29,30)",C18H8N4O12,,,,,,NRVYXLNULGMYPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.155,263-991-0,63182-22-9,"Sodium naphth[2,1-d][1,2,3]oxadiazole-6-sulphonate","sodium naphtho[2,1-d][1,2,3]oxadiazole-6-sulfonate",[Na+].[O-]S(=O)(=O)c1cccc2c3onnc3ccc12,[Na+].[O-]S(=O)(=O)c1cccc2c3onnc3ccc12,"InChI=1/C10H6N2O4S.Na/c13-17(14,15)9-3-1-2-7-6(9)4-5-8-10(7)16-12-11-8;/h1-5H,(H,13,14,15);/q;+1/p-1",C10H6N2O4S.Na,,,,,,QGZDLJPYEMOIOC-UHFFFAOYSA-M,,,,,,,,,,,
100.058.158,263-994-7,63196-64-5,(Z)-oct-6-enal,oct-6-enal,C\\C=C/CCCCC=O,C\C=C/CCCCC=O,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3",C8H14O,,,,,,KVNBGNGISDIZRP-IHWYPQMZSA-N,,,,,,,,,,,
100.058.159,263-995-2,63197-61-5,2-amino-6-benzoyl-1-[(isopropyl)sulphonyl]-1H-benzimidazole,[2-amino-1-(isopropylsulfonyl)-1H-benzimidazol-6-yl](phenyl)methanone,CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)C(=O)c3ccccc3,CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)C(=O)c3ccccc3,"InChI=1/C17H17N3O3S/c1-11(2)24(22,23)20-15-10-13(8-9-14(15)19-17(20)18)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,18,19)",C17H17N3O3S,,,,,,SXUXQJLILGMLOR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.792,256-990-1,51115-86-7,"N,2-di-sec-butyl-3-methylvaleramide","N,2-di-sec-butyl-3-methylpentanamide",CCC(C)NC(=O)C(C(C)CC)C(C)CC,CCC(C)NC(=O)C(C(C)CC)C(C)CC,"InChI=1/C14H29NO/c1-7-10(4)13(11(5)8-2)14(16)15-12(6)9-3/h10-13H,7-9H2,1-6H3,(H,15,16)",C14H29NO,,,,,,NJYRBFYAWUYSIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.806,259-207-1,54541-18-3,2-hydroxyisopropyl propionate,2-hydroxy-1-methylethyl propionate,CCC(=O)OC(C)CO,CCC(=O)OC(C)CO,"InChI=1/C6H12O3/c1-3-6(8)9-5(2)4-7/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,SZLBUGKDPCQASQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.808,259-209-2,54541-47-8,(2-hydroxypropyl)dimethylammonium chloride,"2-hydroxy-N,N-dimethylpropan-1-aminium chloride",[Cl-].CC(O)C[NH+](C)C,[Cl-].CC(O)C[NH+](C)C,"InChI=1/C5H13NO.ClH/c1-5(7)4-6(2)3;/h5,7H,4H2,1-3H3;1H",C5H13NO.ClH,,,,,,JUSZROWIGBIXOS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.813,259-215-5,54548-23-1,Dibenzyl hydrogen dithiophosphate,"O,S-dibenzyl hydrogen dithiophosphate",SP(=O)(OCc1ccccc1)SCc2ccccc2,SP(=O)(OCc1ccccc1)SCc2ccccc2,"InChI=1/C14H15O2PS2/c15-17(18,16-11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,18)",C14H15O2PS2,,,,,,OKYYRDLXAQOHGD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.830,259-233-3,54571-66-3,Methyl 5-oxo-DL-prolinate,methyl 5-oxo-L-prolinate,COC(=O)[C@@H]1CCC(=O)N1,COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)",C6H9NO3,,,,,,HQGPKMSGXAUKHT-BYPYZUCNSA-N,,,,,,,,,,,
100.053.833,259-237-5,54574-01-5,"6'-(diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-2'-(octylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCCCCCNc1ccc2Oc3cc(ccc3C4(OC(=O)c5ccccc45)c2c1)N(CC)CC,CCCCCCCCNc1ccc2Oc3cc(ccc3C4(OC(=O)c5ccccc45)c2c1)N(CC)CC,"InChI=1/C32H38N2O3/c1-4-7-8-9-10-13-20-33-23-16-19-29-28(21-23)32(26-15-12-11-14-25(26)31(35)37-32)27-18-17-24(22-30(27)36-29)34(5-2)6-3/h11-12,14-19,21-22,33H,4-10,13,20H2,1-3H3",C32H38N2O3,,,,,,NMDQDUHQWBIVNL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.839,259-243-8,54581-48-5,"3-ethyl-2-methylnaphtho[2,1-d]thiazolium iodide","3-ethyl-2-methylnaphtho[2,1-d][1,3]thiazol-3-ium iodide",[I-].CC[n+]1c(C)sc2c3ccccc3ccc12,[I-].CC[n+]1c(C)sc2c3ccccc3ccc12,"InChI=1/C14H14NS.HI/c1-3-15-10(2)16-14-12-7-5-4-6-11(12)8-9-13(14)15;/h4-9H,3H2,1-2H3;1H/q+1;/p-1",C14H14NS.I,,,,,,FYBFVOIEBIMSNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.053.845,259-250-6,54593-27-0,"3,6-bis[2-(dimethylamino)ethoxy]-9H-xanthen-9-one dihydrochloride","3,6-bis[2-(dimethylamino)ethoxy]-9H-xanthen-9-one dihydrochloride",Cl.Cl.CN(C)CCOc1ccc2C(=O)c3ccc(OCCN(C)C)cc3Oc2c1,Cl.Cl.CN(C)CCOc1ccc2C(=O)c3ccc(OCCN(C)C)cc3Oc2c1,"InChI=1/C21H26N2O4.2ClH/c1-22(2)9-11-25-15-5-7-17-19(13-15)27-20-14-16(26-12-10-23(3)4)6-8-18(20)21(17)24;;/h5-8,13-14H,9-12H2,1-4H3;2*1H",C21H26N2O4.2ClH,,,,,,YGPTVYNBVYFRLU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.847,259-252-7,54605-45-7,"Bis[1-deoxy-1-(methylammonio)-D-glucitol] 3,3'-(adipoyldiimino)bis[2,4,6-triiodo-5-(N-methylcarbamoyl)benzoate]","bis[1-deoxy-1-(methylammonio)-D-glucitol] 3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoate]",CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)[O-])c(I)c(C(=O)NC)c2I)c(I)c(C(=O)[O-])c1I.C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)[O-])c(I)c(C(=O)NC)c2I)c(I)c(C(=O)[O-])c1I.C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H20I6N4O8.2C7H17NO5/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42);2*4-13H,2-3H2,1H3",C24H20I6N4O8.2C7H17NO5,,,,,,HOBKVSAGFBYKRQ-VRWDCWMNSA-N,,,,,,,,,,,
100.050.537,255-610-1,41994-51-8,"1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride","1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride",Cl.OC(=O)C1Cc2ccccc2CN1,Cl.OC(=O)C1Cc2ccccc2CN1,"InChI=1/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H",C10H11NO2.ClH,,,,,,FXHCFPUEIDRTMR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.541,255-614-3,41995-31-7,3-ethyl-6-methylpyridin-2-amine,3-ethyl-6-methylpyridin-2-amine,CCc1ccc(C)nc1N,CCc1ccc(C)nc1N,"InChI=1/C8H12N2/c1-3-7-5-4-6(2)10-8(7)9/h4-5H,3H2,1-2H3,(H2,9,10)",C8H12N2,,,,,,OQNDNGDJFBXUID-UHFFFAOYSA-N,,,,,,,,,,,
100.050.551,255-625-3,42016-91-1,"2-hydroxy-3,5-diiodobenzoyl chloride","2-hydroxy-3,5-diiodobenzoyl chloride",Oc1c(I)cc(I)cc1C(=O)Cl,Oc1c(I)cc(I)cc1C(=O)Cl,"InChI=1/C7H3ClI2O2/c8-7(12)4-1-3(9)2-5(10)6(4)11/h1-2,11H",C7H3ClI2O2,,,,,,ODXPJUJPWFDXOR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.559,255-634-2,42034-61-7,"2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium iodide","2-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium iodide",[I-].C[n+]5c6ccc(OC)cc6sc5C=C(C=C2Sc1ccccc1N2C)C\\4=C(/C)N(C)N(c3ccccc3)C/4=O,[I-].C[n+]5c6ccc(OC)cc6sc5C=C(C=C2Sc1ccccc1N2C)C\4=C(/C)N(C)N(c3ccccc3)C/4=O,"InChI=1/C31H29N4O2S2.HI/c1-20-30(31(36)35(34(20)4)22-11-7-6-8-12-22)21(17-28-32(2)24-13-9-10-14-26(24)38-28)18-29-33(3)25-16-15-23(37-5)19-27(25)39-29;/h6-19H,1-5H3;1H/q+1;/p-1",C31H29N4O2S2.I,,,,,,PFYFHWLUMWVNCA-UHFFFAOYSA-M,,,,,,,,,,,
100.055.917,261-529-2,58970-76-6,"[S-(R*,S*)]-N-(3-amino-2-hydroxy-4-phenylbutyroyl)-L-leucine",N-(3-amino-2-hydroxy-4-phenylbutanoyl)leucine,CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O,CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O,"InChI=1/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)",C16H24N2O4,,,,,,VGGGPCQERPFHOB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.921,261-533-4,58977-86-9,"N,N'-hexane-1,6-diylbis[3-amino-2-butenamide]","N,N'-hexane-1,6-diylbis(3-aminobut-2-enamide)",CC(N)=CC(=O)NCCCCCCNC(=O)C=C(C)N,CC(N)=CC(=O)NCCCCCCNC(=O)C=C(C)N,"InChI=1/C14H26N4O2/c1-11(15)9-13(19)17-7-5-3-4-6-8-18-14(20)10-12(2)16/h9-10H,3-8,15-16H2,1-2H3,(H,17,19)(H,18,20)",C14H26N4O2,,,,,,HDPYRTBZPKBYOH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.926,261-539-7,58979-45-6,1-hydroxy-4-[[4-(2-hydroxyethoxy)phenyl]amino]anthraquinone,"1-hydroxy-4-{[4-(2-hydroxyethoxy)phenyl]amino}-9,10-anthraquinone",OCCOc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,OCCOc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C22H17NO5/c24-11-12-28-14-7-5-13(6-8-14)23-17-9-10-18(25)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27/h1-10,23-25H,11-12H2",C22H17NO5,,,,,,PJXKPELBCKOKJE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.927,261-540-2,58979-46-7,"N-[5-(diethylamino)-2-[(3,5-dinitro-2-thienyl)azo]phenyl]acetamide","N-{5-(diethylamino)-2-[(3,5-dinitro-2-thienyl)diazenyl]phenyl}acetamide",CCN(CC)c2ccc(N=Nc1sc(cc1[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)c2,CCN(CC)c2ccc(N=Nc1sc(cc1[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)c2,"InChI=1/C16H18N6O5S/c1-4-20(5-2)11-6-7-12(13(8-11)17-10(3)23)18-19-16-14(21(24)25)9-15(28-16)22(26)27/h6-9H,4-5H2,1-3H3,(H,17,23)",C16H18N6O5S,,,,,,KRGRZKUNEOEXJG-UHFFFAOYSA-N,,,,,,,,,,,
100.055.931,261-544-4,58986-28-0,Sodium ethyl 3-oxidoacrylate,sodium 3-ethoxy-3-oxoprop-1-en-1-olate,CCOC(=O)C=CO[Na],CCOC(=O)C=CO[Na],"InChI=1/C5H8O3.Na/c1-2-8-5(7)3-4-6;/h3-4,6H,2H2,1H3;/q;+1/p-1/rC5H7NaO3/c1-2-8-5(7)3-4-9-6/h3-4H,2H2,1H3",C5H8O3.Na,,,,,,ITWVTNYFGKFDGE-UHFFFAOYSA-M,,,,,,,,,,,
100.055.940,261-554-9,59007-04-4,"4'-methoxy[1,1'-biphenyl]-2,5-diol","4'-methoxybiphenyl-2,5-diol",COc1ccc(cc1)c2cc(O)ccc2O,COc1ccc(cc1)c2cc(O)ccc2O,"InChI=1/C13H12O3/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8,14-15H,1H3",C13H12O3,,,,,,SKYIVTXTOISXEF-UHFFFAOYSA-N,,,,,,,,,,,
100.055.944,261-559-6,59017-39-9,"3-[(aminoacetyl)amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoic acid","3-(glycylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid",NCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I,NCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I,"InChI=1/C12H12I3N3O5/c13-7-5(11(21)17-1-2-19)8(14)10(18-4(20)3-16)9(15)6(7)12(22)23/h19H,1-3,16H2,(H,17,21)(H,18,20)(H,22,23)",C12H12I3N3O5,,,,,,PDXKTSSZEZWKPA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.946,261-561-7,59018-13-2,"1-deoxy-1-(methylamino)-D-glucitol 3-[[[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate","3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1)",CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I,"InChI=1/C24H21I6N5O8.C7H17NO5/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3",C24H21I6N5O8.C7H17NO5,,,,,,HUHDYASLFWQVOL-WZTVWXICSA-N,,,,,,,,,,,
100.055.948,261-563-8,59020-90-5,S-(2-furylmethyl) methanethioate,S-(2-furylmethyl) thioformate,O=CSCc1occc1,O=CSCc1occc1,"InChI=1/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2",C6H6O2S,,,,,,GFAOAYJTEVHTLA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.465,262-131-1,60263-54-9,"[1,1'-bicyclohexyl]-1-carboxylic acid","1,1'-bi(cyclohexyl)-1-carboxylic acid",OC(=O)C1(CCCCC1)C2CCCCC2,OC(=O)C1(CCCCC1)C2CCCCC2,"InChI=1/C13H22O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h11H,1-10H2,(H,14,15)",C13H22O2,,,,,,SJSRFXJWBKOROD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.467,262-133-2,60268-12-4,Bis(2-methyl-2-phenylpropyl)oxostannane,bis(2-methyl-2-phenylpropyl)(oxo)stannane,CC(C)(C[Sn](=O)CC(C)(C)c1ccccc1)c2ccccc2,CC(C)(C[Sn](=O)CC(C)(C)c1ccccc1)c2ccccc2,"InChI=1/2C10H13.O.Sn/c2*1-10(2,3)9-7-5-4-6-8-9;;/h2*4-8H,1H2,2-3H3;;/rC20H26OSn/c1-19(2,17-11-7-5-8-12-17)15-22(21)16-20(3,4)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3",C20H26OSn,,,,,,KKMCHPIGCYMHAX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.472,262-139-5,60274-89-7,"Sodium 9,10-dihydro-5-nitro-9,10-dioxoanthracene-2-sulphonate","sodium 5-nitro-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[O-][N+](=O)c1cccc2C(=O)c3cc(ccc3C(=O)c12)S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1cccc2C(=O)c3cc(ccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H7NO7S.Na/c16-13-9-2-1-3-11(15(18)19)12(9)14(17)8-5-4-7(6-10(8)13)23(20,21)22;/h1-6H,(H,20,21,22);/q;+1/p-1",C14H7NO7S.Na,,,,,,OJOUTXRYWZFPEZ-UHFFFAOYSA-M,,,,,,,,,,,
100.060.966,267-083-5,67785-99-3,Decaammonium [[bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methyl]phosphonate,decaammonium [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.10H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);10*1H3",C9H28N3O15P5.10H3N,,,,,,NOPBMTCRKASJLK-UHFFFAOYSA-N,,,,,,,,,,,
100.060.969,267-086-1,67786-03-2,"2,2'-[[o-(oxiranylmethoxy)benzylidene]bis(p-phenyleneoxymethylene)]bisoxirane",2-[(2-{bis[4-(oxiran-2-ylmethoxy)phenyl]methyl}phenoxy)methyl]oxirane,C(Oc1ccc(cc1)C(c2ccc(OCC3CO3)cc2)c4ccccc4OCC5CO5)C6CO6,C(Oc1ccc(cc1)C(c2ccc(OCC3CO3)cc2)c4ccccc4OCC5CO5)C6CO6,"InChI=1/C28H28O6/c1-2-4-27(34-18-25-17-33-25)26(3-1)28(19-5-9-21(10-6-19)29-13-23-15-31-23)20-7-11-22(12-8-20)30-14-24-16-32-24/h1-12,23-25,28H,13-18H2",C28H28O6,,,,,,KRHGLLRSPLUIHI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.980,267-098-7,67786-26-9,"Sodium 2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate","sodium 2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate",[Na+].[O-]C(=O)c3ccccc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,[Na+].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C17H14N4O3.Na/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;/h2-10,15H,1H3,(H,23,24);/q;+1/p-1",C17H14N4O3.Na,,,,,,MXURDMXONBJEAE-UHFFFAOYSA-M,,,,,,,,,,,
100.060.986,267-104-8,67800-80-0,Methyl 2-[(2-methylundecylidene)amino]benzoate,methyl 2-[(2-methylundecylidene)amino]benzoate,COC(=O)c1ccccc1N=CC(C)CCCCCCCCC,COC(=O)c1ccccc1N=CC(C)CCCCCCCCC,"InChI=1/C20H31NO2/c1-4-5-6-7-8-9-10-13-17(2)16-21-19-15-12-11-14-18(19)20(22)23-3/h11-12,14-17H,4-10,13H2,1-3H3",C20H31NO2,,,,,,JOJBHOQXBDBUST-UHFFFAOYSA-N,,,,,,,,,,,
100.060.994,267-113-7,67800-88-8,1-ethyl-2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-6-methoxyquinolinium bromide,"1-ethyl-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2(3H)-ylidene)methyl]-6-methoxyquinolinium bromide",[Br-].CC[n+]3c4ccc(OC)cc4ccc3C=C2[Se]c1ccc(cc1N2CC)OC,[Br-].CC[n+]3c4ccc(OC)cc4ccc3C=C2[Se]c1ccc(cc1N2CC)OC,"InChI=1/C23H25N2O2Se.BrH/c1-5-24-17(8-7-16-13-18(26-3)9-11-20(16)24)14-23-25(6-2)21-15-19(27-4)10-12-22(21)28-23;/h7-15H,5-6H2,1-4H3;1H/q+1;/p-1",C23H25N2O2Se.Br,,,,,,FTKIIGBHQNSFNF-UHFFFAOYSA-M,,,,,,,,,,,
100.054.848,260-352-8,56709-05-8,"1,1'-[[3-(triethoxysilyl)propyl]imino]bis[3-chloropropan-2-ol]","1,1'-{[3-(triethoxysilyl)propyl]imino}bis(3-chloropropan-2-ol)",CCO[Si](CCCN(CC(O)CCl)CC(O)CCl)(OCC)OCC,CCO[Si](CCCN(CC(O)CCl)CC(O)CCl)(OCC)OCC,"InChI=1/C15H33Cl2NO5Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-18(12-14(19)10-16)13-15(20)11-17/h14-15,19-20H,4-13H2,1-3H3",C15H33Cl2NO5Si,,,,,,XKXVAWYYKGISES-UHFFFAOYSA-N,,,,,,,,,,,
100.054.849,260-353-3,56718-70-8,[[p-(2-methoxyethyl)phenoxy]methyl]oxirane,2-{[4-(2-methoxyethyl)phenoxy]methyl}oxirane,COCCc1ccc(OCC2CO2)cc1,COCCc1ccc(OCC2CO2)cc1,"InChI=1/C12H16O3/c1-13-7-6-10-2-4-11(5-3-10)14-8-12-9-15-12/h2-5,12H,6-9H2,1H3",C12H16O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17776,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.849,UEOWFGJMGUIGHC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.856,260-361-7,56744-27-5,"9,10-dichloro-12-(phosphonooxy)octadecanoic acid","9,10-dichloro-12-(phosphonooxy)octadecanoic acid",CCCCCCC(CC(Cl)C(Cl)CCCCCCCC(=O)O)OP(=O)(O)O,CCCCCCC(CC(Cl)C(Cl)CCCCCCCC(=O)O)OP(=O)(O)O,"InChI=1/C18H35Cl2O6P/c1-2-3-4-8-11-15(26-27(23,24)25)14-17(20)16(19)12-9-6-5-7-10-13-18(21)22/h15-17H,2-14H2,1H3,(H,21,22)(H2,23,24,25)",C18H35Cl2O6P,,,,,,NZTGBAWFQMSCCA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.863,260-369-0,56762-23-3,"(1,2,3-tribromopropyl)benzene","(1,2,3-tribromopropyl)benzene",BrCC(Br)C(Br)c1ccccc1,BrCC(Br)C(Br)c1ccccc1,"InChI=1/C9H9Br3/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,8-9H,6H2",C9H9Br3,,,,,,WTSKOLDTABPEPX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.865,260-371-1,56766-80-4,"2,2-dimethoxyethyl(methyl)ammonium chloride","2,2-dimethoxy-N-methylethanaminium chloride",[Cl-].C[NH2+]CC(OC)OC,[Cl-].C[NH2+]CC(OC)OC,"InChI=1/C5H13NO2.ClH/c1-6-4-5(7-2)8-3;/h5-6H,4H2,1-3H3;1H",C5H13NO2.ClH,,,,,,VRFVCWXHJCQSHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.871,260-377-4,56775-91-8,2-[2-(4-chlorophenoxy)-2-methylpropionyloxy]ethyl nicotinate hydrochloride,2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate hydrochloride,Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2cccnc2,Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2cccnc2,"InChI=1/C18H18ClNO5.ClH/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;/h3-9,12H,10-11H2,1-2H3;1H",C18H18ClNO5.ClH,,,,,,SMQMWHHMXSBKEP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.872,260-379-5,56775-92-9,2-[(3-pyridylcarbonyl)amino]ethyl 2-(4-chlorophenoxy)-2-methylpropionate hydrochloride,2-[(pyridin-3-ylcarbonyl)amino]ethyl 2-(4-chlorophenoxy)-2-methylpropanoate hydrochloride,Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCNC(=O)c2cccnc2,Cl.CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCNC(=O)c2cccnc2,"InChI=1/C18H19ClN2O4.ClH/c1-18(2,25-15-7-5-14(19)6-8-15)17(23)24-11-10-21-16(22)13-4-3-9-20-12-13;/h3-9,12H,10-11H2,1-2H3,(H,21,22);1H",C18H19ClN2O4.ClH,,,,,,VBQSOVUBXWFWRS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.161,263-997-3,63204-23-9,"5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]-1H-pyrimidin-4-one dihydrochloride","5-(1,3-benzodioxol-5-ylmethyl)-2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]pyrimidin-4(1H)-one dihydrochloride",Cl.Cl.Cc1[nH]cnc1CSCCNC2=NC(=O)C(=CN2)Cc3ccc4OCOc4c3,Cl.Cl.Cc1[nH]cnc1CSCCNC2=NC(=O)C(=CN2)Cc3ccc4OCOc4c3,"InChI=1/C19H21N5O3S.2ClH/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16;;/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25);2*1H",C19H21N5O3S.2ClH,,,,,,RBNMEHBTDUJJJM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.171,264-008-8,63216-93-3,4-dodecyl-2-[(2-nitrophenyl)azo]phenol,4-dodecyl-2-[(2-nitrophenyl)diazenyl]phenol,Oc2ccc(cc2N=Nc1ccccc1[N+]([O-])=O)CCCCCCCCCCCC,Oc2ccc(cc2N=Nc1ccccc1[N+]([O-])=O)CCCCCCCCCCCC,"InChI=1/C24H33N3O3/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(28)22(19-20)26-25-21-15-12-13-16-23(21)27(29)30/h12-13,15-19,28H,2-11,14H2,1H3",C24H33N3O3,,,,,,HBILSJNKFHVBOX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.513,265-483-4,65122-24-9,Bis(2-hydroxyethyl)ammonium hexadecyl hydrogen phosphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium hexadecyl hydrogen phosphate,CCCCCCCCCCCCCCCCOP(=O)(O)[O-].OCC[NH2+]CCO,CCCCCCCCCCCCCCCCOP(=O)(O)[O-].OCC[NH2+]CCO,"InChI=1/C16H35O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;6-3-1-5-2-4-7/h2-16H2,1H3,(H2,17,18,19);5-7H,1-4H2",C16H35O4P.C4H11NO2,,,,,,GKKMCECQQIKAHA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.514,265-485-5,65122-25-0,Diammonium hexadecyl phosphate,diammonium hexadecyl phosphate,[NH4+].[NH4+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C16H35O4P.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);2*1H3",C16H35O4P.2H3N,,,,,,SQYHYNXCNFIANK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.517,265-488-1,65122-41-0,"4,4'-diamino-2''-chloro-2,2'-dimethyltrityl alcohol",bis(4-amino-2-methylphenyl)(2-chlorophenyl)methanol,Cc1cc(N)ccc1C(O)(c2ccc(N)cc2C)c3ccccc3Cl,Cc1cc(N)ccc1C(O)(c2ccc(N)cc2C)c3ccccc3Cl,"InChI=1/C21H21ClN2O/c1-13-11-15(23)7-9-17(13)21(25,19-5-3-4-6-20(19)22)18-10-8-16(24)12-14(18)2/h3-12,25H,23-24H2,1-2H3",C21H21ClN2O,,,,,,PBRNBXVTBUODFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.522,265-493-9,65128-96-3,(Z)-tetradec-7-enal,tetradec-7-enal,CCCCCC\\C=C/CCCCCC=O,CCCCCC\C=C/CCCCCC=O,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-8,14H,2-6,9-13H2,1H3",C14H26O,,,,,,AVHNDAZRNRAYTP-FPLPWBNLSA-N,,,,,,,,,,,
100.059.524,265-496-5,65132-26-5,"2-(benzyl)-6,7-dimethoxy-1H-benz[de]isoquinoline-1,3(2H)-dione","2-benzyl-6,7-dimethoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",COc1ccc2C(=O)N(Cc3ccccc3)C(=O)c4ccc(OC)c1c24,COc1ccc2C(=O)N(Cc3ccccc3)C(=O)c4ccc(OC)c1c24,"InChI=1/C21H17NO4/c1-25-16-10-8-14-18-15(9-11-17(26-2)19(16)18)21(24)22(20(14)23)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3",C21H17NO4,,,,,,BPJDZBGBYIKLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.528,265-500-5,65138-69-4,"Bis[[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium] tetrachlorozincate(2-)","bis[N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium] tetrachlorozincate(2-)",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccc(cc6)N(C)C.Cl[Zn-2](Cl)(Cl)Cl,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccc(cc6)N(C)C.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C25H30N3.4ClH.Zn/c2*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;;;;;/h2*7-18H,1-6H3;4*1H;/q2*+1;;;;;+2/p-4/r2C25H30N3.Cl4Zn/c2*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;1-5(2,3)4/h2*7-18H,1-6H3;/q2*+1;-2",C25H30N3.1/2Cl4Zn,,,,,,HNARMZQQXJYCRE-UHFFFAOYSA-J,,,,,,,,,,,
100.059.538,265-511-5,65138-84-3,Bis[bis(2-hydroxyethyl)ammonium] hexadecyl phosphate,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] hexadecyl phosphate,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH2+]CCO.OCC[NH2+]CCO,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH2+]CCO.OCC[NH2+]CCO,"InChI=1/C16H35O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;2*6-3-1-5-2-4-7/h2-16H2,1H3,(H2,17,18,19);2*5-7H,1-4H2",C16H35O4P.2C4H11NO2,,,,,,IFNGPDGVDHXNRL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.541,265-514-1,65141-46-0,Nicorandil,2-[(pyridin-3-ylcarbonyl)amino]ethyl nitrate,[O-][N+](=O)OCCNC(=O)c1cccnc1,[O-][N+](=O)OCCNC(=O)c1cccnc1,"InChI=1/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)",C8H9N3O4,,,,,,LBHIOVVIQHSOQN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.552,265-526-7,65150-98-3,Bis[2-[[4-(diethylamino)phenyl]azo]-3-methylthiazolium] tetrachlorozincate(2-),"bis(2-{[4-(diethylamino)phenyl]diazenyl}-3-methyl-1,3-thiazol-3-ium) tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c1ccc(cc1)N=Nc2scc[n+]2C.CCN(CC)c1ccc(cc1)N=Nc2scc[n+]2C,Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c1ccc(cc1)N=Nc2scc[n+]2C.CCN(CC)c1ccc(cc1)N=Nc2scc[n+]2C,"InChI=1/2C14H19N4S.4ClH.Zn/c2*1-4-18(5-2)13-8-6-12(7-9-13)15-16-14-17(3)10-11-19-14;;;;;/h2*6-11H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H19N4S.Cl4Zn/c2*1-4-18(5-2)13-8-6-12(7-9-13)15-16-14-17(3)10-11-19-14;1-5(2,3)4/h2*6-11H,4-5H2,1-3H3;/q2*+1;-2",C14H19N4S.1/2Cl4Zn,,,,,,RRHUZLSJORGZKE-UHFFFAOYSA-J,,,,,,,,,,,
100.061.563,267-740-6,67907-25-9,Benzylbis(2-hydroxyethyl)octadecenylammonium chloride,"N-benzyl-N,N-bis(2-hydroxyethyl)octadec-1-en-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCC=C[N+](CCO)(Cc1ccccc1)CCO,[Cl-].CCCCCCCCCCCCCCCCC=C[N+](CCO)(Cc1ccccc1)CCO,"InChI=1/C29H52NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-26-31,25-27-32)28-29-21-18-17-19-22-29;/h17-23,31-32H,2-16,24-28H2,1H3;1H/q+1;/p-1",C29H50NO2.Cl,,,,,,GCCCAQCYLNWXJL-UHFFFAOYSA-M,,,,,,,,,,,
100.050.570,255-646-8,42072-27-5,"O,O-dimethyl acetylthiophosphoramidate",dimethyl (acetylsulfanyl)amidophosphate,COP(=O)(NSC(=O)C)OC,COP(=O)(NSC(=O)C)OC,"InChI=1/C4H10NO4PS/c1-4(6)11-5-10(7,8-2)9-3/h1-3H3,(H,5,7)",C4H10NO3PS,,,,,,JAHVKNAKALGGQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.573,255-649-4,42078-65-9,Phenethyl 3-methylbut-2-enoate,2-phenylethyl 3-methylbut-2-enoate,CC(=CC(=O)OCCc1ccccc1)C,CC(=CC(=O)OCCc1ccccc1)C,"InChI=1/C13H16O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3",C13H16O2,,,,,,QTCRFFUEUAXZNW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.574,255-651-5,42079-68-5,2'-hydroxy-6'-methoxychalcone,1-(2-hydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one,COc1cccc(O)c1C(=O)\\C=C\\c2ccccc2,COc1cccc(O)c1C(=O)\C=C\c2ccccc2,"InChI=1/C16H14O3/c1-19-15-9-5-8-13(17)16(15)14(18)11-10-12-6-3-2-4-7-12/h2-11,17H,1H3",C16H14O3,,,,,,ZGXVPIGRFJUIEA-ZHACJKMWSA-N,,,,,,,,,,,
100.050.576,255-653-6,42083-41-0,Magnesium 2-oxoglutarate,magnesium 2-oxopentanedioate,[Mg+2].[O-]C(=O)CCC(=O)C(=O)[O-],[Mg+2].[O-]C(=O)CCC(=O)C(=O)[O-],"InChI=1/C5H6O5.Mg/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+2/p-2",C5H6O5.Mg,,,,,,WSKWESCCQFXQKT-UHFFFAOYSA-L,,,,,,,,,,,
100.048.438,253-299-7,36984-15-3,"2-(2,4-dichlorophenoxy)propionamide","2-(2,4-dichlorophenoxy)propanamide",CC(Oc1ccc(Cl)cc1Cl)C(=O)N,CC(Oc1ccc(Cl)cc1Cl)C(=O)N,"InChI=1/C9H9Cl2NO2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H2,12,13)",C9H9Cl2NO2,,,,,,PCWMWJKZXONNDD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.440,253-301-6,36986-15-9,Octadecyl 3-(tridecylthio)butyrate,octadecyl 3-(tridecylsulfanyl)butanoate,CCCCCCCCCCCCCCCCCCOC(=O)CC(C)SCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CC(C)SCCCCCCCCCCCCC,"InChI=1/C35H70O2S/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-37-35(36)33-34(3)38-32-30-28-26-24-22-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3",C35H70O2S,,,,,,TWFQLSGAOLZHLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.448,253-310-5,37021-14-0,3-ethyl-1-phenyl-2-thioxoimidazolidin-4-one,3-ethyl-1-phenyl-2-thioxoimidazolidin-4-one,CCN1C(=O)CN(C1=S)c2ccccc2,CCN1C(=O)CN(C1=S)c2ccccc2,"InChI=1/C11H12N2OS/c1-2-12-10(14)8-13(11(12)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C11H12N2OS,,,,,,UYPCZQJGNPASBR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.449,253-311-0,37024-93-4,Tetrasodium ethylenetetracarboxylate,"tetrasodium ethene-1,1,2,2-tetracarboxylate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(=C(C(=O)[O-])C(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(=C(C(=O)[O-])C(=O)[O-])C(=O)[O-],"InChI=1/C6H4O8.4Na/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;;;;/h(H,7,8)(H,9,10)(H,11,12)(H,13,14);;;;/q;4*+1/p-4",C6H4O8.4Na,,,,,,YNMLGWDINPNEPJ-UHFFFAOYSA-J,,,,,,,,,,,
100.048.450,253-312-6,37025-55-1,Carbetocin,"1-{[6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-sec-butyl-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}-L-prolyl-L-leucylglycinamide",CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N,"InChI=1/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)",C45H69N11O12S,,,,,,NSTRIRCPWQHTIA-DTRKZRJBSA-N,,,,,,,,,,,
100.048.451,253-313-1,37026-88-3,Tributylmethylammonium bromide,"N,N-dibutyl-N-methylbutan-1-aminium bromide",[Br-].CCCC[N+](C)(CCCC)CCCC,[Br-].CCCC[N+](C)(CCCC)CCCC,"InChI=1/C13H30N.BrH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1",C13H30N.Br,,,,,,DHAWHVVWUNNONG-UHFFFAOYSA-M,,,,,,,,,,,
100.048.452,253-314-7,37026-92-9,Tributylpentylammonium bromide,"N,N,N-tributylpentan-1-aminium bromide",[Br-].CCCCC[N+](CCCC)(CCCC)CCCC,[Br-].CCCCC[N+](CCCC)(CCCC)CCCC,"InChI=1/C17H38N.BrH/c1-5-9-13-17-18(14-10-6-2,15-11-7-3)16-12-8-4;/h5-17H2,1-4H3;1H/q+1;/p-1",C17H38N.Br,,,,,,SJHCESPLNOBUMO-UHFFFAOYSA-M,,,,,,,,,,,
100.048.453,253-315-2,37028-28-7,"(E)-N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propylamine hydrochloride","N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propan-1-amine hydrochloride",Cl.CN(C)CC\\C=C\\1/c2ccccc2Sc3ccc(cc13)C(F)(F)F,Cl.CN(C)CC\C=C\1/c2ccccc2Sc3ccc(cc13)C(F)(F)F,"InChI=1/C19H18F3NS.ClH/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22;/h3-4,6-10,12H,5,11H2,1-2H3;1H",C19H18F3NS.ClH,,,,,,KAKFVUQHGXFCIM-FJUODKGNSA-N,,,,,,,,,,,
100.048.458,253-321-5,37032-33-0,Dihexadecyl phosphonate,dihexadecyl phosphonate,CCCCCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C32H67O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-36(33)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-32H2,1-2H3",C32H67O3P,,,,,,UZBRTTGWNVNRIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.480,262-147-9,60296-02-8,Calcium (o-methoxyphenoxy)acetate,calcium bis[(2-methoxyphenoxy)acetate],[Ca+2].COc1ccccc1OCC(=O)[O-].COc2ccccc2OCC(=O)[O-],[Ca+2].COc1ccccc1OCC(=O)[O-].COc2ccccc2OCC(=O)[O-],"InChI=1/2C9H10O4.Ca/c2*1-12-7-4-2-3-5-8(7)13-6-9(10)11;/h2*2-5H,6H2,1H3,(H,10,11);/q;;+2/p-2",C9H10O4.1/2Ca,,,,,,MUCXTKFFRMBSHK-UHFFFAOYSA-L,,,,,,,,,,,
100.056.483,262-151-0,60302-96-7,"3-(dipropylamino)propane-1,2-diol","3-(dipropylamino)propane-1,2-diol",CCCN(CCC)CC(O)CO,CCCN(CCC)CC(O)CO,"InChI=1/C9H21NO2/c1-3-5-10(6-4-2)7-9(12)8-11/h9,11-12H,3-8H2,1-2H3",C9H21NO2,,,,,,CTSOJEIWXYRSEM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.486,262-154-7,60307-25-7,(±)-1-methyl-5-oxopyrrolidine-2-acetic acid,(1-methyl-5-oxopyrrolidin-2-yl)acetic acid,CN1C(CC(=O)O)CCC1=O,CN1C(CC(=O)O)CCC1=O,"InChI=1/C7H11NO3/c1-8-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)",C7H11NO3,,,,,,QSTXMZUAMCBUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.490,262-158-9,60308-78-3,(E)-4-ethylhex-2-enoic acid,4-ethylhex-2-enoic acid,CCC(CC)\\C=C\\C(=O)O,CCC(CC)\C=C\C(=O)O,"InChI=1/C8H14O2/c1-3-7(4-2)5-6-8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)",C8H14O2,,,,,,JUAHIVUUUQRPLE-AATRIKPKSA-N,,,,,,,,,,,
100.056.497,262-166-2,60314-43-4,Ammonium magnesium trichloride,ammonium magnesium trichloride,[NH4+].[Mg+2].[Cl-].[Cl-].[Cl-],[NH4+].[Mg+2].[Cl-].[Cl-].[Cl-],InChI=1/3ClH.Mg.H3N/h3*1H;;1H3/q;;;+2;/p-2,Cl3Mg.H4N,,,,,,RGYXQOYMCJMMOB-UHFFFAOYSA-L,,,,,,,,,,,
100.056.498,262-167-8,60316-43-0,"1,8-bis(methylamino)anthraquinone","1,8-bis(methylamino)-9,10-anthraquinone",CNc1cccc2C(=O)c3cccc(NC)c3C(=O)c12,CNc1cccc2C(=O)c3cccc(NC)c3C(=O)c12,"InChI=1/C16H14N2O2/c1-17-11-7-3-5-9-13(11)16(20)14-10(15(9)19)6-4-8-12(14)18-2/h3-8,17-18H,1-2H3",C16H14N2O2,,,,,,WBNXSOGPMIRTPK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.848,263-653-2,62625-28-9,"Sodium a-(3,5-dibromo-4-oxo-2,5-cyclohexadienylidene)-a-(3,5-dibromo-4-hydroxyphenyl)toluenesulphonate","sodium 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate",[Na+].Oc1c(Br)cc(cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3S(=O)(=O)[O-],[Na+].Oc1c(Br)cc(cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3S(=O)(=O)[O-],"InChI=1/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1",C19H10Br4O5S.Na,,,,,,TWKDJMRHSLWRFI-UHFFFAOYSA-M,,,,,,,,,,,
100.057.854,263-660-0,62635-31-8,"9,9'-[azobis(p-phenyleneazo)]bis[2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine]","9,9'-[diazene-1,2-diylbis(4,1-phenylenediazene-2,1-diyl)]bis(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline)",C6Cc7cc(N=Nc5ccc(N=Nc4ccc(N=Nc1cc2CCCN3CCCc(c1)c23)cc4)cc5)cc8CCCN(C6)c78,C6Cc7cc(N=Nc5ccc(N=Nc4ccc(N=Nc1cc2CCCN3CCCc(c1)c23)cc4)cc5)cc8CCCN(C6)c78,"InChI=1/C36H36N8/c1-5-25-21-33(22-26-6-2-18-43(17-1)35(25)26)41-39-31-13-9-29(10-14-31)37-38-30-11-15-32(16-12-30)40-42-34-23-27-7-3-19-44-20-4-8-28(24-34)36(27)44/h9-16,21-24H,1-8,17-20H2",C36H36N8,,,,,,GDKOEXXUQDZOLC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.857,263-663-7,62637-99-4,Lead bis(4-cyclohexylbutyrate),-,[Pb+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1,[Pb+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1,"InChI=1/2C10H18O2.Pb.2H/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;;;/h2*9H,1-8H2,(H,11,12);;;/q;;+4;;/p-2/r2C10H18O2.H2Pb/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);1H2/q;;+4/p-2",C10H18O2.1/2Pb,,,,,,CCJZHCZMNGUOCA-UHFFFAOYSA-L,,,,,,,,,,,
100.057.860,263-666-3,62638-03-3,Potassium cyclohexanebutyrate,potassium 4-cyclohexylbutanoate,[K+].[O-]C(=O)CCCC1CCCCC1,[K+].[O-]C(=O)CCCC1CCCCC1,"InChI=1/C10H18O2.K/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1",C10H18O2.K,,,,,,LBYNWSSEILNGLN-UHFFFAOYSA-M,,,,,,,,,,,
100.059.502,265-471-9,65121-95-1,"2,2'-iminobisethyl diacetate","iminodiethane-2,1-diyl diacetate",CC(=O)OCCNCCOC(=O)C,CC(=O)OCCNCCOC(=O)C,"InChI=1/C8H15NO4/c1-7(10)12-5-3-9-4-6-13-8(2)11/h9H,3-6H2,1-2H3",C8H15NO4,,,,,,JYGXQTZBIRNFBN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.503,265-472-4,65121-96-2,Bis(2-hydroxyethyl)methylammonium methyl sulphate,"1,5-dihydroxypentan-3-aminium methyl sulfate",COS(=O)(=O)[O-].[NH3+]C(CCO)CCO,COS(=O)(=O)[O-].[NH3+]C(CCO)CCO,"InChI=1/C5H13NO2.CH4O4S/c6-5(1-3-7)2-4-8;1-5-6(2,3)4/h5,7-8H,1-4,6H2;1H3,(H,2,3,4)",C5H13NO2.CH4O4S,,,,,,ZWKOBVAAKQNVBT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.505,265-475-0,65122-03-4,(2-ethylhexyl)ammonium bis(6-methylheptyl) phosphate,2-ethylhexan-1-aminium bis(6-methylheptyl) phosphate,CCCCC(CC)C[NH3+].CC(C)CCCCCOP(=O)([O-])OCCCCCC(C)C,CCCCC(CC)C[NH3+].CC(C)CCCCCOP(=O)([O-])OCCCCCC(C)C,"InChI=1/C16H35O4P.C8H19N/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4;1-3-5-6-8(4-2)7-9/h15-16H,5-14H2,1-4H3,(H,17,18);8H,3-7,9H2,1-2H3",C16H35O4P.C8H19N,,,,,,MJRDRRWIAQOYMP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.510,265-480-8,65122-11-4,"2,11-dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione","2,11-dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione",Clc1ccc2c(c1)C(=O)c3ccc4c5ccc6c7ccc(Cl)cc7C(=O)c8ccc(c9ccc2c3c49)c5c68,Clc1ccc2c(c1)C(=O)c3ccc4c5ccc6c7ccc(Cl)cc7C(=O)c8ccc(c9ccc2c3c49)c5c68,InChI=1/C34H14Cl2O2/c35-15-1-3-17-19-5-7-21-24-10-12-26-32-20(18-4-2-16(36)14-28(18)34(26)38)6-8-22(30(24)32)23-9-11-25(31(19)29(21)23)33(37)27(17)13-15/h1-14H,C34H14Cl2O2,,,,,,DCRJAUKEOAHQJI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.500,251-166-8,32703-80-3,"4-(1,1-dimethylethyl)benzene-1,2-dicarbonitrile",4-tert-butylphthalonitrile,CC(C)(C)c1ccc(C#N)c(c1)C#N,CC(C)(C)c1ccc(C#N)c(c1)C#N,"InChI=1/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3",C12H12N2,,,,,,LOTMIRVNJTVTSU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.509,251-176-2,32722-89-7,8-acetyl-3H-phenothiazin-3-one,8-acetyl-3H-phenothiazin-3-one,CC(=O)c1ccc2SC3=CC(=O)C=CC3=Nc2c1,CC(=O)c1ccc2SC3=CC(=O)C=CC3=Nc2c1,"InChI=1/C14H9NO2S/c1-8(16)9-2-5-13-12(6-9)15-11-4-3-10(17)7-14(11)18-13/h2-7H,1H3",C14H9NO2S,,,,,,ULPPMBLZALUHJB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.516,251-184-6,32737-14-7,2-ethoxy-3-methylpyrazine,2-ethoxy-3-methylpyrazine,CCOc1nccnc1C,CCOc1nccnc1C,"InChI=1/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3",C7H10N2O,,,,,,MMKWCKGYULOKET-UHFFFAOYSA-N,,,,,,,,,,,
100.047.580,252-354-2,35086-59-0,"5-acetyl-1,3-phenylene diacetate","5-acetyl-1,3-phenylene diacetate",CC(=O)Oc1cc(OC(=O)C)cc(c1)C(=O)C,CC(=O)Oc1cc(OC(=O)C)cc(c1)C(=O)C,"InChI=1/C12H12O5/c1-7(13)10-4-11(16-8(2)14)6-12(5-10)17-9(3)15/h4-6H,1-3H3",C12H12O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17081,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.580,QODJHYBESCIPOG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.582,252-356-3,35089-00-0,"Phosphoric acid, beryllium salt",beryllium hydrogen phosphate,[Be+2].OP(=O)([O-])[O-],[Be+2].OP(=O)([O-])[O-],"InChI=1/Be.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2",Be.xH3O4P,,,,,,XUYHBCPJXPJTCK-UHFFFAOYSA-L,,,,,,,,,,,
100.047.584,252-358-4,35092-73-0,"Ethyl (2,4-dihydroxyphenyl)iminoacetate hydrochloride","ethyl (2,4-dihydroxyphenyl)(imino)acetate hydrochloride",Cl.CCOC(=O)C(=N)c1ccc(O)cc1O,Cl.CCOC(=O)C(=N)c1ccc(O)cc1O,"InChI=1/C10H11NO4.ClH/c1-2-15-10(14)9(11)7-4-3-6(12)5-8(7)13;/h3-5,11-13H,2H2,1H3;1H",C10H11NO4.ClH,,,,,,HERBXOHJUSUAPU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.587,252-362-6,35100-44-8,Endrisone,"11-hydroxy-6-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C22H30O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h7-8,10,12,15-17,19-20,25H,5-6,9,11H2,1-4H3",C22H30O3,,,,,,VDNZZIYSCXESNI-ILSZZQPISA-N,,,,,,,,,,,
100.047.588,252-363-1,35103-75-4,Octyl hydrogen phosphonate,octyl hydrogen phosphonate,CCCCCCCCOP(=O)O,CCCCCCCCOP(=O)O,"InChI=1/C8H19O3P/c1-2-3-4-5-6-7-8-11-12(9)10/h12H,2-8H2,1H3,(H,9,10)",C8H19O3P,,,,,,XJKCIKMIYBWISX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.597,252-373-6,35112-27-7,"Ethyl 2,5-dichlorobenzoate","ethyl 2,5-dichlorobenzoate",CCOC(=O)c1cc(Cl)ccc1Cl,CCOC(=O)c1cc(Cl)ccc1Cl,"InChI=1/C9H8Cl2O2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3",C9H8Cl2O2,,,,,,JSZYWIKNIZKJAN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.598,252-374-1,35112-28-8,"Methyl 2,4-dichlorobenzoate","methyl 2,4-dichlorobenzoate",COC(=O)c1ccc(Cl)cc1Cl,COC(=O)c1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3",C8H6Cl2O2,,,,,,VCRWILYAWSRHBN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.600,252-376-2,35112-60-8,Bis(o-tolyl) peroxide,"1,1'-dioxybis(2-methylbenzene)",Cc1ccccc1OOc2ccccc2C,Cc1ccccc1OOc2ccccc2C,"InChI=1/C14H14O2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h3-10H,1-2H3",C14H14O2,,,,,,FFHGJCBXRQUCED-UHFFFAOYSA-N,,,,,,,,,,,
100.047.604,252-380-4,35116-30-4,Disodium 1-sulphonatocyclohexanecarboxylate,disodium 1-sulfonatocyclohexanecarboxylate,[Na+].[Na+].[O-]C(=O)C1(CCCCC1)S(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)C1(CCCCC1)S(=O)(=O)[O-],"InChI=1/C7H12O5S.2Na/c8-6(9)7(13(10,11)12)4-2-1-3-5-7;;/h1-5H2,(H,8,9)(H,10,11,12);;/q;2*+1/p-2",C7H12O5S.2Na,,,,,,OSJHHINMNUYJSK-UHFFFAOYSA-L,,,,,,,,,,,
100.047.606,252-383-0,35120-10-6,Methylthioacetonitrile,(methylsulfanyl)acetonitrile,CSCC#N,CSCC#N,"InChI=1/C3H5NS/c1-5-3-2-4/h3H2,1H3",C3H5NS,,,,,,ZRIGDBVSVFSVLL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.607,252-384-6,35120-18-4,Ethyl a-bromocyclobutanecarboxylate,ethyl 1-bromocyclobutanecarboxylate,CCOC(=O)C1(Br)CCC1,CCOC(=O)C1(Br)CCC1,"InChI=1/C7H11BrO2/c1-2-10-6(9)7(8)4-3-5-7/h2-5H2,1H3",C7H11BrO2,,,,,,UTVNSHXHFRIXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.609,252-386-7,35122-83-9,"4-fluoro-N,N,2-trimethylaniline","4-fluoro-N,N,2-trimethylaniline",CN(C)c1ccc(F)cc1C,CN(C)c1ccc(F)cc1C,"InChI=1/C9H12FN/c1-7-6-8(10)4-5-9(7)11(2)3/h4-6H,1-3H3",C9H12FN,,,,,,XCGOAKAAORSAPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.614,252-391-4,35141-35-6,(dimethyl)[3-(trimethoxysilyl)propyl]ammonium acetate,"N,N-dimethyl-3-(trimethoxysilyl)propan-1-aminium acetate",CO[Si](CCC[NH+](C)C)(OC)OC.CC(=O)[O-],CO[Si](CCC[NH+](C)C)(OC)OC.CC(=O)[O-],"InChI=1/C8H21NO3Si.C2H4O2/c1-9(2)7-6-8-13(10-3,11-4)12-5;1-2(3)4/h6-8H2,1-5H3;1H3,(H,3,4)",C8H21NO3Si.C2H4O2,,,,,,KXFOCRJDQLJMAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.617,252-395-6,35145-02-9,"(1a,2a,5a)-2,5-dimethylcyclohex-3-ene-1-carbaldehyde","2,5-dimethylcyclohex-3-ene-1-carbaldehyde",C[C@@H]1C[C@H](C=O)[C@H](C)C=C1,C[C@@H]1C[C@H](C=O)[C@H](C)C=C1,"InChI=1/C9H14O/c1-7-3-4-8(2)9(5-7)6-10/h3-4,6-9H,5H2,1-2H3",C9H14O,,,,,,HPEDKIIUXMEXNR-DJLDLDEBSA-N,,,,,,,,,,,
100.061.565,267-742-7,67907-33-9,"5-(1,1-dimethylethyl)-2-methoxy-4-(1-propenyl)phenol",5-tert-butyl-2-methoxy-4-prop-1-en-1-ylphenol,Oc1cc(c(cc1OC)C=CC)C(C)(C)C,Oc1cc(c(cc1OC)C=CC)C(C)(C)C,"InChI=1/C14H20O2/c1-6-7-10-8-13(16-5)12(15)9-11(10)14(2,3)4/h6-9,15H,1-5H3",C14H20O2,,,,,,GOSYKXZLWIQKJI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.570,267-747-4,67914-85-6,"cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol","[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol",OC[C@@H]1CO[C@](Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,OC[C@@H]1CO[C@](Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,"InChI=1/C13H13Cl2N3O3/c14-9-1-2-11(12(15)3-9)13(6-18-8-16-7-17-18)20-5-10(4-19)21-13/h1-3,7-8,10,19H,4-6H2",C13H13Cl2N3O3,,,,,,NKUOWQPBYUKRIM-ZWNOBZJWSA-N,,,,,,,,,,,
100.061.572,267-750-0,67914-97-0,p-[4-isopropyl-1-piperazinyl]phenol,4-(4-isopropylpiperazin-1-yl)phenol,CC(C)N1CCN(CC1)c2ccc(O)cc2,CC(C)N1CCN(CC1)c2ccc(O)cc2,"InChI=1/C13H20N2O/c1-11(2)14-7-9-15(10-8-14)12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3",C13H20N2O,,,,,,BMBPGRMBBHKAEP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.573,267-751-6,67915-31-5,Terconazole,"1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine",CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2,CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2,"InChI=1/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3",C26H31Cl2N5O3,,,,,,BLSQLHNBWJLIBQ-OZXSUGGESA-N,,,,,,,,,,,
100.061.576,267-754-2,67920-93-8,"Methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","1-methyl-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one",Cc1ccc2cccc3C(=O)n4c(nc5ccccc45)c1c23,Cc1ccc2cccc3C(=O)n4c(nc5ccccc45)c1c23,"InChI=1/C19H12N2O/c1-11-9-10-12-5-4-6-13-17(12)16(11)18-20-14-7-2-3-8-15(14)21(18)19(13)22/h2-10H,1H3",C19H12N2O,,,,,,FXEGSPNZISUOST-UHFFFAOYSA-N,,,,,,,,,,,
100.061.580,267-758-4,67923-43-7,"3,3'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bispropiononitrile","3,3'-({4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}imino)dipropanenitrile",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC#N)CCC#N)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC#N)CCC#N)[N+]([O-])=O,"InChI=1/C18H14Cl2N6O2/c19-16-11-15(26(27)28)12-17(20)18(16)24-23-13-3-5-14(6-4-13)25(9-1-7-21)10-2-8-22/h3-6,11-12H,1-2,9-10H2",C18H14Cl2N6O2,,,,,,MUERWWKQVXXPML-UHFFFAOYSA-N,,,,,,,,,,,
100.061.587,267-766-8,67923-50-6,1-amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]anthraquinone,"1-amino-4-hydroxy-2-[(4-hydroxyphenyl)sulfanyl]-9,10-anthraquinone",Nc1c(Sc2ccc(O)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Sc2ccc(O)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO4S/c21-18-15(26-11-7-5-10(22)6-8-11)9-14(23)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2",C20H13NO4S,,,,,,NZRGKQQMKNRNLS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.591,267-771-5,67923-55-1,2-ethoxy-3-methylcyclopent-2-en-1-one,2-ethoxy-3-methylcyclopent-2-en-1-one,CCOC1=C(C)CCC1=O,CCOC1=C(C)CCC1=O,"InChI=1/C8H12O2/c1-3-10-8-6(2)4-5-7(8)9/h3-5H2,1-2H3",C8H12O2,,,,,,JSMWJHCOWHXYML-UHFFFAOYSA-N,,,,,,,,,,,
100.057.628,263-410-0,62108-66-1,Propyl 3-chloropropionate,propyl 3-chloropropanoate,CCCOC(=O)CCCl,CCCOC(=O)CCCl,"InChI=1/C6H11ClO2/c1-2-5-9-6(8)3-4-7/h2-5H2,1H3",C6H11ClO2,,,,,,WIOAODPBBXZVNV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.634,263-416-3,62120-45-0,Tetradodecylammonium perchlorate,"N,N,N-tridodecyldodecan-1-aminium perchlorate",CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-]Cl(=O)(=O)=O,CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-]Cl(=O)(=O)=O,"InChI=1/C48H100N.ClHO4/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;2-1(3,4)5/h5-48H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C48H100N.ClO4,,,,,,UPKKOAUGTBGKAS-UHFFFAOYSA-M,,,,,,,,,,,
100.057.641,263-424-7,62127-47-3,"2,2,3-tribromobutane","2,2,3-tribromobutane",CC(Br)C(C)(Br)Br,CC(Br)C(C)(Br)Br,"InChI=1/C4H7Br3/c1-3(5)4(2,6)7/h3H,1-2H3",C4H7Br3,,,,,,JDWNTZIECWWBAO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.644,263-427-3,62134-34-3,[4-[3-(dibutylamino)propoxy]phenyl](2-ethylindolizin-3-yl)methanone monohydrochloride,{4-[3-(dibutylamino)propoxy]phenyl}(2-ethylindolizin-3-yl)methanone hydrochloride,Cl.CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c2c(CC)cc3ccccn23,Cl.CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c2c(CC)cc3ccccn23,"InChI=1/C28H38N2O2.ClH/c1-4-7-17-29(18-8-5-2)19-11-21-32-26-15-13-24(14-16-26)28(31)27-23(6-3)22-25-12-9-10-20-30(25)27;/h9-10,12-16,20,22H,4-8,11,17-19,21H2,1-3H3;1H",C28H38N2O2.ClH,,,,,,DXHWOBBGGCYHNV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.647,263-431-5,62143-14-0,"2,2'-[(3-bromophenyl)imino]bisethanol","2,2'-[(3-bromophenyl)imino]diethanol",OCCN(CCO)c1cccc(Br)c1,OCCN(CCO)c1cccc(Br)c1,"InChI=1/C10H14BrNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2",C10H14BrNO2,,,,,,XINJBHMYJJBTBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.470,253-334-6,37074-33-2,"2-ethylhexyl 6-butyl-14-ethyl-6-[[4-[(2-ethylhexyl)oxy]-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate","2-ethylhexyl 6-butyl-14-ethyl-6-({4-[(2-ethylhexyl)oxy]-4-oxobut-2-enoyl}oxy)-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dien-1-oate",O=C(O[Sn](OC(=O)C=CC(=O)OCC(CC)CCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)CCCC)C=CC(=O)OCC(CC)CCCC,O=C(O[Sn](OC(=O)C=CC(=O)OCC(CC)CCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)CCCC)C=CC(=O)OCC(CC)CCCC,"InChI=1/3C12H20O4.C4H9.Sn/c3*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;1-3-4-2;/h3*7-8,10H,3-6,9H2,1-2H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3/rC40H66O12Sn/c1-8-15-19-32(12-5)29-47-35(41)22-25-38(44)50-53(28-18-11-4,51-39(45)26-23-36(42)48-30-33(13-6)20-16-9-2)52-40(46)27-24-37(43)49-31-34(14-7)21-17-10-3/h22-27,32-34H,8-21,28-31H2,1-7H3",C40H66O12Sn,,,,,,VMAPEMHOENECMC-UHFFFAOYSA-K,,,,,,,,,,,
100.048.471,253-335-1,37076-71-4,Tri-O-acetyl-5-deoxy-D-ribofuranose,"1,2,3-tri-O-acetyl-5-deoxy-D-ribofuranose",C[C@H]1OC(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,C[C@H]1OC(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3",C11H16O7,,,,,,NXEJETQVUQAKTO-ZBCCYFLUSA-N,,,,,,,,,,,
100.048.476,253-340-9,37086-84-3,2-hydroxypropyl benzoate,2-hydroxypropyl benzoate,CC(O)COC(=O)c1ccccc1,CC(O)COC(=O)c1ccccc1,"InChI=1/C10H12O3/c1-8(11)7-13-10(12)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3",C10H12O3,,,,,,SCYRDAWUOAHQIE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.479,253-344-0,37087-94-8,Tibric acid,"2-chloro-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoic acid",CC1CC(C)CN(C1)S(=O)(=O)c2ccc(Cl)c(c2)C(=O)O,CC1CC(C)CN(C1)S(=O)(=O)c2ccc(Cl)c(c2)C(=O)O,"InChI=1/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)",C14H18ClNO4S,,,,,,IFXSWTIWFGIXQO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.800,256-999-0,51126-65-9,Potassium 1H-benzotriazolide,potassium benzotriazol-1-ide,[K+].c1ccc2[n-]nnc2c1,[K+].c1ccc2[n-]nnc2c1,InChI=1/C6H4N3.K/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1,C6H5N3.K,,,,,,YAFMHFATKDXBKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.806,257-005-8,51137-00-9,Bis(2-hydroxyethyl)[2-(stearoyloxy)ethyl]ammonium formate,2-hydroxy-N-(2-hydroxyethyl)-N-[2-(stearoyloxy)ethyl]ethanaminium formate,CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCO.[O-]C=O,CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCO.[O-]C=O,"InChI=1/C24H49NO4.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27;2-1-3/h26-27H,2-23H2,1H3;1H,(H,2,3)",C24H49NO4.CH2O2,,,,,,MEZWZDQUZREBND-UHFFFAOYSA-N,,,,,,,,,,,
100.051.809,257-008-4,51140-43-3,Isododecyl methacrylate,10-methylundecyl methacrylate,CC(C)CCCCCCCCCOC(=O)C(=C)C,CC(C)CCCCCCCCCOC(=O)C(=C)C,"InChI=1/C16H30O2/c1-14(2)12-10-8-6-5-7-9-11-13-18-16(17)15(3)4/h14H,3,5-13H2,1-2,4H3",C16H30O2,,,,,,TUHHNZDBGKJLMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.816,257-016-8,51148-68-6,Dodec-11-en-1-al,dodec-11-enal,C=CCCCCCCCCCC=O,C=CCCCCCCCCCC=O,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,12H,1,3-11H2",C12H22O,,,,,,LRLMEXPRIMROMY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.819,257-019-4,51152-27-3,"(2-ethylhexyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",2-{2-[(2-ethylhexyl)oxy]-2-oxoethyl}-2-hydroxysuccinic acid,CCCCC(CC)COC(=O)CC(O)(CC(=O)O)C(=O)O,CCCCC(CC)COC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C14H24O7/c1-3-5-6-10(4-2)9-21-12(17)8-14(20,13(18)19)7-11(15)16/h10,20H,3-9H2,1-2H3,(H,15,16)(H,18,19)",C14H24O7,,,,,,NWMWIZWLHXMUGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.820,257-021-5,51154-48-4,Fibracillin,"6-{[{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC(C)(Oc1ccc(Cl)cc1)C(=O)NC(C(=O)N[C@@H]2[C@@H]3SC(C)(C)[C@H](N3C2=O)C(=O)O)c4ccccc4,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC(C(=O)N[C@@H]2[C@@H]3SC(C)(C)[C@H](N3C2=O)C(=O)O)c4ccccc4,"InChI=1/C26H28ClN3O6S/c1-25(2,36-16-12-10-15(27)11-13-16)24(35)29-17(14-8-6-5-7-9-14)20(31)28-18-21(32)30-19(23(33)34)26(3,4)37-22(18)30/h5-13,17-19,22H,1-4H3,(H,28,31)(H,29,35)(H,33,34)",C26H28ClN3O6S,,,,,,BSIJLJGDLNRGBY-MFXLTOHQSA-N,,,,,,,,,,,
100.051.826,257-027-8,51167-18-1,"2'-[2,4-dichloro-5-(1-methylethoxy)phenyl]-2,2-dimethylpropionohydrazide","N'-(2,4-dichloro-5-isopropoxyphenyl)-2,2-dimethylpropanehydrazide",CC(C)Oc1cc(NNC(=O)C(C)(C)C)c(Cl)cc1Cl,CC(C)Oc1cc(NNC(=O)C(C)(C)C)c(Cl)cc1Cl,"InChI=1/C14H20Cl2N2O2/c1-8(2)20-12-7-11(9(15)6-10(12)16)17-18-13(19)14(3,4)5/h6-8,17H,1-5H3,(H,18,19)",C14H20Cl2N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11695,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.826,IRVAUMHWBDVRPH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.836,257-038-8,51186-33-5,Dodecyldimethylsulphonium methyl sulphate,dodecyl(dimethyl)sulfonium methyl sulfate,CCCCCCCCCCCC[S+](C)C.COS(=O)(=O)[O-],CCCCCCCCCCCC[S+](C)C.COS(=O)(=O)[O-],"InChI=1/C14H31S.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-5-6(2,3)4/h4-14H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C14H31S.CH3O4S,,,,,,ODEOTZHRELXGPA-UHFFFAOYSA-M,,,,,,,,,,,
100.053.855,259-261-6,54628-89-6,"1-(4-aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-amine","1-(4-aminophenyl)-1,3,3-trimethylindan-5-amine",CC1(C)CC(C)(c2ccc(N)cc2)c3ccc(N)cc13,CC1(C)CC(C)(c2ccc(N)cc2)c3ccc(N)cc13,"InChI=1/C18H22N2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)15-9-8-14(20)10-16(15)17/h4-10H,11,19-20H2,1-3H3",C18H22N2,,,,,,CGSKOGYKWHUSLC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.857,259-263-7,54630-47-6,Calcium peroxoborate,calcium peroxoborate,[Ca+2].OOB([O-])[O-],[Ca+2].OOB([O-])[O-],InChI=1/BHO4.Ca/c2-1(3)5-4;/h4H;/q-2;+2,BHO3.1/2Ca,,,,,,HHAAEPLPGNLNQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.525,267-698-9,67906-29-0,Sodium 1-(2-ethoxyethyl) 10-hydroxy-9-sulphonatooctadecanoate,sodium 1-(2-ethoxyethoxy)-10-hydroxy-1-oxooctadecane-9-sulfonate,[Na+].CCCCCCCCC(O)C(CCCCCCCC(=O)OCCOCC)S(=O)(=O)[O-],[Na+].CCCCCCCCC(O)C(CCCCCCCC(=O)OCCOCC)S(=O)(=O)[O-],"InChI=1/C22H44O7S.Na/c1-3-5-6-7-9-12-15-20(23)21(30(25,26)27)16-13-10-8-11-14-17-22(24)29-19-18-28-4-2;/h20-21,23H,3-19H2,1-2H3,(H,25,26,27);/q;+1/p-1",C22H44O7S.Na,,,,,,KQFOKJDSOXEOEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.061.527,267-700-8,67906-31-4,"Dimethyl 2-[[2-[(2-methoxyphenyl)amino]-2-oxo-1-(1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)ethyl]azo]terephthalate","dimethyl 2-({1-(4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-2-[(2-methoxyphenyl)amino]-2-oxoethyl}diazenyl)terephthalate",O=C1N\\C(=N/C(=O)N1)C(N=Nc2cc(ccc2C(=O)OC)C(=O)OC)C(=O)Nc3ccccc3OC,O=C1N\C(=N/C(=O)N1)C(N=Nc2cc(ccc2C(=O)OC)C(=O)OC)C(=O)Nc3ccccc3OC,"InChI=1/C22H20N6O8/c1-34-15-7-5-4-6-13(15)23-18(29)16(17-24-21(32)26-22(33)25-17)28-27-14-10-11(19(30)35-2)8-9-12(14)20(31)36-3/h4-10,16H,1-3H3,(H,23,29)(H2,24,25,26,32,33)",C22H20N6O8,,,,,,YJBASQBXNDYREF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.528,267-701-3,67906-32-5,5-anilino-2-[(p-tolyl)amino]terephthalic acid,2-anilino-5-[(4-methylphenyl)amino]terephthalic acid,Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccccc3)cc2C(=O)O)cc1,Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccccc3)cc2C(=O)O)cc1,"InChI=1/C21H18N2O4/c1-13-7-9-15(10-8-13)23-19-12-16(20(24)25)18(11-17(19)21(26)27)22-14-5-3-2-4-6-14/h2-12,22-23H,1H3,(H,24,25)(H,26,27)",C21H18N2O4,,,,,,SVKUUKYLRANQTP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.531,267-705-5,67906-38-1,4-[methyl[(pentadecafluoroheptyl)sulphonyl]amino]butyl methacrylate,4-{methyl[(pentadecafluoroheptyl)sulfonyl]amino}butyl methacrylate,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H16F15NO4S/c1-8(2)9(33)36-7-5-4-6-32(3)37(34,35)16(30,31)14(25,26)12(21,22)10(17,18)11(19,20)13(23,24)15(27,28)29/h1,4-7H2,2-3H3",C16H16F15NO4S,,,,,,CRGIYPZDEQHQFH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.534,267-708-1,67906-41-6,"N-allyl-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide","N-allyl-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide",CCN(CC=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H10F15NO2S/c1-3-5-28(4-2)31(29,30)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h3H,1,4-5H2,2H3",C12H10F15NO2S,,,,,,ZVXUTAWOTSBUQR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.536,267-710-2,67906-43-8,2-methoxy-6-sulpho-4-[[7-sulpho-4-[(3-sulphophenyl)azo]-1-naphthyl]azo]naphthalene-1-diazonium chloride,2-methoxy-6-sulfo-4-({7-sulfo-4-[(3-sulfophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-diazonium chloride,[Cl-].OS(=O)(=O)c1cccc(c1)N=Nc5ccc(N=Nc2cc(OC)c([N+]#N)c3ccc(cc23)S(O)(=O)=O)c4cc(ccc45)S(O)(=O)=O,[Cl-].OS(=O)(=O)c1cccc(c1)N=Nc5ccc(N=Nc2cc(OC)c([N+]#N)c3ccc(cc23)S(O)(=O)=O)c4cc(ccc45)S(O)(=O)=O,"InChI=1/C27H18N6O10S3.ClH/c1-43-26-14-25(22-13-18(46(40,41)42)6-8-20(22)27(26)29-28)33-32-24-10-9-23(19-7-5-17(12-21(19)24)45(37,38)39)31-30-15-3-2-4-16(11-15)44(34,35)36;/h2-14H,1H3,(H2-,34,35,36,37,38,39,40,41,42);1H",C27H19N6O10S3.Cl,,,,,,RNFMBNGASKRRRL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.537,267-711-8,67906-44-9,"Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-(acetylamino)-4-hydroxynaphthalene-2,7-disulphonate]","tetrasodium 3,3'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-acetamido-4-hydroxynaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(NC(C)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(NC(C)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C38H32N6O18S4.4Na/c1-17(45)39-27-15-23(63(49,50)51)9-21-13-31(65(55,56)57)35(37(47)33(21)27)43-41-25-7-5-19(11-29(25)61-3)20-6-8-26(30(12-20)62-4)42-44-36-32(66(58,59)60)14-22-10-24(64(52,53)54)16-28(40-18(2)46)34(22)38(36)48;;;;/h5-16,47-48H,1-4H3,(H,39,45)(H,40,46)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4",C38H32N6O18S4.4Na,,,,,,OCTJJSJKXMJFIF-UHFFFAOYSA-J,,,,,,,,,,,
100.061.539,267-713-9,67906-46-1,Trisodium 8-[[4-[(4-acetamidophenyl)azo]-7-sulphonatonaphthyl]azo]-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,trisodium 5-{[4-({4-[(4-acetamidophenyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}-6-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6cc(ccc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6cc(ccc67)S([O-])(=O)=O,"InChI=1/C38H27N7O11S3.3Na/c1-21(46)39-23-3-5-24(6-4-23)40-41-33-13-15-35(31-19-26(58(51,52)53)8-11-29(31)33)42-43-36-16-14-34(30-12-9-27(20-32(30)36)59(54,55)56)44-45-38-28-10-7-25(57(48,49)50)18-22(28)2-17-37(38)47;;;/h2-20,47H,1H3,(H,39,46)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C38H27N7O11S3.3Na,,,,,,MQLWVOGSZJBJAU-UHFFFAOYSA-K,,,,,,,,,,,
100.061.548,267-723-3,67906-56-3,"Calcium 4-[(2,5-dichloro-3-methyl-6-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate","calcium 4-[(2,5-dichloro-3-methyl-6-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate",[Ca+2].Clc3c(C)cc(Cl)c(c3N=Nc1c2ccccc2cc(C([O-])=O)c1O)S([O-])(=O)=O,[Ca+2].Clc3c(C)cc(Cl)c(c3N=Nc1c2ccccc2cc(C([O-])=O)c1O)S([O-])(=O)=O,"InChI=1/C18H12Cl2N2O6S.Ca/c1-8-6-12(19)17(29(26,27)28)15(13(8)20)22-21-14-10-5-3-2-4-9(10)7-11(16(14)23)18(24)25;/h2-7,23H,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2",C18H12Cl2N2O6S.Ca,,,,,,BDNKKOIWQYFMLV-UHFFFAOYSA-L,,,,,,,,,,,
100.047.618,252-396-1,35147-45-6,"3,5-bis[(tert-butyl)dioxy]-3,5-dimethyl-1,2-dioxolane","3,5-bis(tert-butylperoxy)-3,5-dimethyl-1,2-dioxolane",CC(C)(C)OOC1(C)CC(C)(OOC(C)(C)C)OO1,CC(C)(C)OOC1(C)CC(C)(OOC(C)(C)C)OO1,"InChI=1/C13H26O6/c1-10(2,3)14-16-12(7)9-13(8,19-18-12)17-15-11(4,5)6/h9H2,1-8H3",C13H26O6,,,,,,MUAFAOUCQHXNNH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.071,266-098-4,66063-61-4,Potassium N-(hydroxymethyl)glycinate,potassium [(hydroxymethyl)amino]acetate,[K+].OCNCC(=O)[O-],[K+].OCNCC(=O)[O-],"InChI=1/C3H7NO3.K/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7);/q;+1/p-1",C3H7NO3.K,,,,,,OGMXSAAYHDZBBY-UHFFFAOYSA-M,,,,,,,,,,,
100.060.072,266-100-3,66068-84-6,"4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol","4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol",CC1C2CC(CC2C3CCC(O)CC3)C1(C)C,CC1C2CC(CC2C3CCC(O)CC3)C1(C)C,"InChI=1/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-4-6-13(17)7-5-11/h10-15,17H,4-9H2,1-3H3",C16H28O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10932,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.072,PCFHYANYPQEMPU-UHFFFAOYSA-N,,,,,,,,,,,
100.060.096,266-127-0,66085-59-4,Nimodipine,"isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C,COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C,"InChI=1/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3",C21H26N2O7,,,,,,UIAGMCDKSXEBJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.098,266-129-1,66085-68-5,"1,1'-[(phenylmethylene)bis[(2-methyl-4,1-phenylene)azo]]bis(2-naphthol)","1,1'-{(phenylmethylene)bis[(2-methyl-4,1-phenylene)diazene-2,1-diyl]}di(2-naphthol)",Oc7ccc1ccccc1c7N=Nc2ccc(cc2C)C(c3ccccc3)c6ccc(N=Nc4c5ccccc5ccc4O)c(C)c6,Oc7ccc1ccccc1c7N=Nc2ccc(cc2C)C(c3ccccc3)c6ccc(N=Nc4c5ccccc5ccc4O)c(C)c6,"InChI=1/C41H32N4O2/c1-26-24-31(16-20-35(26)42-44-40-33-14-8-6-10-28(33)18-22-37(40)46)39(30-12-4-3-5-13-30)32-17-21-36(27(2)25-32)43-45-41-34-15-9-7-11-29(34)19-23-38(41)47/h3-25,39,46-47H,1-2H3",C41H32N4O2,,,,,,WMIMXCPQTYMGDN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.100,266-131-2,66085-70-9,"1-[[4-[[4-[(2-hydroxy-1-naphthyl)azo]-2,5-dimethylphenyl]phenylmethyl]-2-methylphenyl]azo]-2-naphthol","1-({4-[{4-[(2-hydroxy-1-naphthyl)diazenyl]-2,5-dimethylphenyl}(phenyl)methyl]-2-methylphenyl}diazenyl)-2-naphthol",Oc7ccc1ccccc1c7N=Nc2ccc(cc2C)C(c3ccccc3)c4cc(C)c(cc4C)N=Nc5c6ccccc6ccc5O,Oc7ccc1ccccc1c7N=Nc2ccc(cc2C)C(c3ccccc3)c4cc(C)c(cc4C)N=Nc5c6ccccc6ccc5O,"InChI=1/C42H34N4O2/c1-26-25-37(44-46-42-34-16-10-8-12-30(34)19-22-39(42)48)28(3)24-35(26)40(31-13-5-4-6-14-31)32-17-20-36(27(2)23-32)43-45-41-33-15-9-7-11-29(33)18-21-38(41)47/h4-25,40,47-48H,1-3H3",C42H34N4O2,,,,,,QKBDUVOVAJJXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.060.109,266-141-7,66096-13-7,"Dipotassium 4-[(3-oxobenzo[b]thien-2(3H)-ylidene)methyl]benzene-1,3-disulphonate","dipotassium 4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]benzene-1,3-disulfonate",[K+].[K+].[O-]S(=O)(=O)c3ccc(C=C2Sc1ccccc1C2=O)c(c3)S([O-])(=O)=O,[K+].[K+].[O-]S(=O)(=O)c3ccc(C=C2Sc1ccccc1C2=O)c(c3)S([O-])(=O)=O,"InChI=1/C15H10O7S3.2K/c16-15-11-3-1-2-4-12(11)23-13(15)7-9-5-6-10(24(17,18)19)8-14(9)25(20,21)22;;/h1-8H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C15H10O7S3.2K,,,,,,AIBIVZAIWJQMFK-UHFFFAOYSA-L,,,,,,,,,,,
100.056.750,262-445-9,60826-28-0,Tridecan-7-yl acetate,1-hexylheptyl acetate,CCCCCCC(CCCCCC)OC(=O)C,CCCCCCC(CCCCCC)OC(=O)C,"InChI=1/C15H30O2/c1-4-6-8-10-12-15(17-14(3)16)13-11-9-7-5-2/h15H,4-13H2,1-3H3",C15H30O2,,,,,,PCPNTHIGZZIBJI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.755,262-451-1,60834-64-2,"2,4,5-tricyclopentylphenol","2,4,5-tricyclopentylphenol",Oc1cc(C2CCCC2)c(cc1C3CCCC3)C4CCCC4,Oc1cc(C2CCCC2)c(cc1C3CCCC3)C4CCCC4,"InChI=1/C21H30O/c22-21-14-19(16-9-3-4-10-16)18(15-7-1-2-8-15)13-20(21)17-11-5-6-12-17/h13-17,22H,1-12H2",C21H30O,,,,,,FMBDEJSPLWJSTM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.757,262-453-2,60834-67-5,"1,3-dicyclopentyl-5,6,7,8-tetrahydro-2-naphthol","1,3-dicyclopentyl-5,6,7,8-tetrahydronaphthalen-2-ol",Oc1c(cc2CCCCc2c1C3CCCC3)C4CCCC4,Oc1c(cc2CCCCc2c1C3CCCC3)C4CCCC4,"InChI=1/C20H28O/c21-20-18(14-7-1-2-8-14)13-16-11-5-6-12-17(16)19(20)15-9-3-4-10-15/h13-15,21H,1-12H2",C20H28O,,,,,,ZRLFRSNTOXEEAB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.764,262-461-6,60834-81-3,"5,6,7,8-tetrahydro-2,4-bis(1-methylethyl)naphthol","2,4-diisopropyl-5,6,7,8-tetrahydronaphthalen-1-ol",CC(C)c1cc(C(C)C)c2CCCCc2c1O,CC(C)c1cc(C(C)C)c2CCCCc2c1O,"InChI=1/C16H24O/c1-10(2)14-9-15(11(3)4)16(17)13-8-6-5-7-12(13)14/h9-11,17H,5-8H2,1-4H3",C16H24O,,,,,,AAIHQDJOYDBMLC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.773,262-471-0,60846-17-5,2-(chloroacetamido)-a-(methoxyimino)thiazol-4-acetic acid,"{2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetic acid",O=C(Nc1nc(cs1)C(=NOC)C(O)=O)CCl,O=C(Nc1nc(cs1)C(=NOC)C(O)=O)CCl,"InChI=1/C8H8ClN3O4S/c1-16-12-6(7(14)15)4-3-17-8(10-4)11-5(13)2-9/h3H,2H2,1H3,(H,14,15)(H,10,11,13)",C8H8ClN3O4S,,,,,,JVFVSVLCXCDOPD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.777,262-475-2,60857-05-8,Tetrahydro-4-methylene-2-(2-methyl-1-propenyl)-2H-pyran,4-methylene-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran,CC(=CC1CC(=C)CCO1)C,CC(=CC1CC(=C)CCO1)C,"InChI=1/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,10H,3-5,7H2,1-2H3",C10H16O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/8083,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.777,JRIATCFPZFOVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.654,263-438-3,62152-67-4,"Sodium [[4-[(4-amino-m-tolyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]benzenesulphonate","sodium 2-[(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}phenyl)amino]benzenesulfonate",[Na+].[O-]S(=O)(=O)c5ccccc5Nc1ccc(cc1)C(c2cc(C)c(N)cc2)=C\\3/C=C\\C(/C=C/3)=N\\c4ccccc4,[Na+].[O-]S(=O)(=O)c5ccccc5Nc1ccc(cc1)C(c2cc(C)c(N)cc2)=C\3/C=C\C(/C=C/3)=N\c4ccccc4,"InChI=1/C32H27N3O3S.Na/c1-22-21-25(15-20-29(22)33)32(23-11-16-27(17-12-23)34-26-7-3-2-4-8-26)24-13-18-28(19-14-24)35-30-9-5-6-10-31(30)39(36,37)38;/h2-21,35H,33H2,1H3,(H,36,37,38);/q;+1/p-1",C32H27N3O3S.Na,,,,,,AOADSHDCARXSGL-UHFFFAOYSA-M,,,,,,,,,,,
100.057.657,263-442-5,62158-73-0,"2-[(5-amino-2,4-dimethoxyphenyl)sulphonyl]ethyl hydrogen sulphate","2-[(5-amino-2,4-dimethoxyphenyl)sulfonyl]ethyl hydrogen sulfate",COc1cc(OC)c(cc1N)S(=O)(=O)CCOS(=O)(=O)O,COc1cc(OC)c(cc1N)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C10H15NO8S2/c1-17-8-6-9(18-2)10(5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)",C10H15NO8S2,,,,,,UGZSTADDMXCMFC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.658,263-443-0,62163-33-1,4-[[2-[(5-chloro-2-cyanophenyl)azo]-5-(diethylamino)phenyl]amino]-4-oxobutyric acid,4-({2-[(5-chloro-2-cyanophenyl)diazenyl]-5-(diethylamino)phenyl}amino)-4-oxobutanoic acid,N#Cc2ccc(Cl)cc2N=Nc1ccc(cc1NC(=O)CCC(O)=O)N(CC)CC,N#Cc2ccc(Cl)cc2N=Nc1ccc(cc1NC(=O)CCC(O)=O)N(CC)CC,"InChI=1/C21H22ClN5O3/c1-3-27(4-2)16-7-8-17(19(12-16)24-20(28)9-10-21(29)30)25-26-18-11-15(22)6-5-14(18)13-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,28)(H,29,30)",C21H22ClN5O3,,,,,,SSVJBYGRIFCYNI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.179,264-017-7,63217-14-1,"Sodium (Z,Z)-2-[methyl(1-oxo-9,12-octadecadienyl)amino]ethanesulphonate","sodium 2-[methyl(octadeca-9,12-dienoyl)amino]ethanesulfonate",[Na+].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],[Na+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-],"InChI=1/C21H39NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h7-8,10-11H,3-6,9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1",C21H39NO4S.Na,,,,,,UPNGLMNZODHVJH-VRQRTIRHSA-M,,,,,,,,,,,
100.058.182,264-020-3,63217-24-3,"Methyl 4-[1-[[[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoate","methyl 4-(1-{[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]carbamoyl}-3,3-dimethyl-2-oxobutoxy)benzoate",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(cc3)C(=O)OC)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(cc3)C(=O)OC)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,"InChI=1/C41H53ClN2O7/c1-11-40(6,7)27-17-22-33(30(24-27)41(8,9)12-2)50-23-13-14-34(45)43-28-18-21-31(42)32(25-28)44-37(47)35(36(46)39(3,4)5)51-29-19-15-26(16-20-29)38(48)49-10/h15-22,24-25,35H,11-14,23H2,1-10H3,(H,43,45)(H,44,47)",C41H53ClN2O7,,,,,,VXCZXLZDXHEWHD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.184,264-022-4,63217-26-5,N-(3-phenylpropyl)-N-(p-tolyl)sulphanilamide,4-amino-N-(4-methylphenyl)-N-(3-phenylpropyl)benzenesulfonamide,Cc1ccc(cc1)N(CCCc2ccccc2)S(=O)(=O)c3ccc(N)cc3,Cc1ccc(cc1)N(CCCc2ccccc2)S(=O)(=O)c3ccc(N)cc3,"InChI=1/C22H24N2O2S/c1-18-9-13-21(14-10-18)24(17-5-8-19-6-3-2-4-7-19)27(25,26)22-15-11-20(23)12-16-22/h2-4,6-7,9-16H,5,8,17,23H2,1H3",C22H24N2O2S,,,,,,UVRKWARRCHCTCV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.194,264-033-4,63224-47-5,"4-[(2,6-dichloro-4-nitrophenyl)azo]-2,5-dimethoxybenzenediazonium tetrachlorozincate (2:1)","bis{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxybenzenediazonium} tetrachlorozincate(2-)",Clc2cc(cc(Cl)c2N=Nc1cc(OC)c([N+]#N)cc1OC)[N+]([O-])=O.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c2cc(Cl)c(N=Nc1cc(OC)c([N+]#N)cc1OC)c(Cl)c2,Clc2cc(cc(Cl)c2N=Nc1cc(OC)c([N+]#N)cc1OC)[N+]([O-])=O.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c2cc(Cl)c(N=Nc1cc(OC)c([N+]#N)cc1OC)c(Cl)c2,"InChI=1/2C14H10Cl2N5O4.4ClH.Zn/c2*1-24-12-6-11(13(25-2)5-10(12)18-17)19-20-14-8(15)3-7(21(22)23)4-9(14)16;;;;;/h2*3-6H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H10Cl2N5O4.Cl4Zn/c2*1-24-12-6-11(13(25-2)5-10(12)18-17)19-20-14-8(15)3-7(21(22)23)4-9(14)16;1-5(2,3)4/h2*3-6H,1-2H3;/q2*+1;-2",C14H10Cl2N5O4.1/2Cl4Zn,,,,,,ZZIMMRVDVBVWKL-UHFFFAOYSA-J,,,,,,,,,,,
100.058.196,264-036-0,63225-53-6,2-[[(butylamino)carbonyl]oxy]ethyl acrylate,2-[(butylcarbamoyl)oxy]ethyl acrylate,CCCCNC(=O)OCCOC(=O)C=C,CCCCNC(=O)OCCOC(=O)C=C,"InChI=1/C10H17NO4/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,13)",C10H17NO4,,,,,,FLKHVLRENDBIDB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.200,264-040-2,63234-71-9,Pyrrolidin-1-amine monohydrochloride,pyrrolidin-1-amine hydrochloride,Cl.NN1CCCC1,Cl.NN1CCCC1,InChI=1/C4H10N2.ClH/c5-6-3-1-2-4-6;/h1-5H2;1H,C4H10N2.ClH,,,,,,KTVYGDJRKCXTRA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.205,264-046-5,63251-39-8,4-hydroxy-a-[[[3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-3-(methylsulphinyl)benzyl alcohol hydrochloride,4-(1-hydroxy-2-{[3-(4-methoxyphenyl)-1-methylpropyl]amino}ethyl)-2-(methylsulfinyl)phenol hydrochloride,Cl.COc1ccc(CCC(C)NCC(O)c2ccc(O)c(c2)S(=O)C)cc1,Cl.COc1ccc(CCC(C)NCC(O)c2ccc(O)c(c2)S(=O)C)cc1,"InChI=1/C20H27NO4S.ClH/c1-14(4-5-15-6-9-17(25-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)26(3)24;/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H",C20H27NO4S.ClH,,,,,,KJSMCQZGOIBBGM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.208,264-049-1,63251-43-4,"Sodium 6,7-bis[(phenylsulphonyl)oxy]naphthalene-2-sulphonate","sodium 6,7-bis[(phenylsulfonyl)oxy]naphthalene-2-sulfonate",[Na+].[O-]S(=O)(=O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c4ccccc4)cc2c1,[Na+].[O-]S(=O)(=O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c4ccccc4)cc2c1,"InChI=1/C22H16O9S3.Na/c23-32(24,25)20-12-11-16-14-21(30-33(26,27)18-7-3-1-4-8-18)22(15-17(16)13-20)31-34(28,29)19-9-5-2-6-10-19;/h1-15H,(H,23,24,25);/q;+1/p-1",C22H16O9S3.Na,,,,,,VPSUVNLFHSOZSG-UHFFFAOYSA-M,,,,,,,,,,,
100.053.861,259-267-9,54639-52-0,Diphenylmethyl (6R-trans)-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,diphenylmethyl 3-methoxy-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,COC1=C(N2[C@@H](SC1)[C@@H](NC(=O)COc3ccccc3)C2=O)C(=O)OC(c4ccccc4)c5ccccc5,COC1=C(N2[C@@H](SC1)[C@@H](NC(=O)COc3ccccc3)C2=O)C(=O)OC(c4ccccc4)c5ccccc5,"InChI=1/C29H26N2O6S/c1-35-22-18-38-28-24(30-23(32)17-36-21-15-9-4-10-16-21)27(33)31(28)25(22)29(34)37-26(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)",C29H26N2O6S,,,,,,QLVVZQVGFLLLLB-CUBQBAPOSA-N,,,,,,,,,,,
100.053.863,259-270-5,54641-21-3,Sodium (S)-2-hydroxy-4-methylvalerate,sodium 2-hydroxy-4-methylpentanoate,[Na+].CC(C)C[C@H](O)C(=O)[O-],[Na+].CC(C)C[C@H](O)C(=O)[O-],"InChI=1/C6H12O3.Na/c1-4(2)3-5(7)6(8)9;/h4-5,7H,3H2,1-2H3,(H,8,9);/q;+1/p-1",C6H12O3.Na,,,,,,WMPVOYIJOLKBNA-JEDNCBNOSA-M,,,,,,,,,,,
100.053.868,259-275-2,54648-79-2,"O-methyl-N,N'-diisopropylisourea","methyl N,N'-diisopropylimidocarbamate",CO\\C(=N/C(C)C)\\NC(C)C,CO\C(=N/C(C)C)\NC(C)C,"InChI=1/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)",C8H18N2O,,,,,,PUVRRPLSJKDMKH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.873,259-281-5,54661-52-8,"6,6'-thiobis[2,3-dihydro-1,1,3,3-tetramethyl-1H-inden-5-ol]","6,6'-sulfanediylbis(1,1,3,3-tetramethylindan-5-ol)",CC1(C)CC(C)(C)c2cc(Sc3cc4c(cc3O)C(C)(C)CC4(C)C)c(O)cc12,CC1(C)CC(C)(C)c2cc(Sc3cc4c(cc3O)C(C)(C)CC4(C)C)c(O)cc12,"InChI=1/C26H34O2S/c1-23(2)13-25(5,6)17-11-21(19(27)9-15(17)23)29-22-12-18-16(10-20(22)28)24(3,4)14-26(18,7)8/h9-12,27-28H,13-14H2,1-8H3",C26H34O2S,,,,,,IQAXMKPWRISDJK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.752,253-646-2,37734-89-7,1-benzyl-2-phenyl-1H-imidazole,1-benzyl-2-phenyl-1H-imidazole,C(c1ccccc1)n2ccnc2c3ccccc3,C(c1ccccc1)n2ccnc2c3ccccc3,"InChI=1/C16H14N2/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15/h1-12H,13H2",C16H14N2,,,,,,XZKLXPPYISZJCV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.755,253-649-9,37743-18-3,"(dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide","N-(3,3-diphenyldihydrofuran-2(3H)-ylidene)-N-methylmethanaminium bromide",[Br-].C[N+](=C1OCCC1(c2ccccc2)c3ccccc3)C,[Br-].C[N+](=C1OCCC1(c2ccccc2)c3ccccc3)C,"InChI=1/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1",C18H20NO.Br,,,,,,QJPXLCQSAFQCBD-UHFFFAOYSA-M,,,,,,,,,,,
100.048.756,253-650-4,37748-88-2,"4,4'-(p-phenylenediisopropylidene)bis[N-phenylaniline]","4,4'-(1,4-phenylenedipropane-2,2-diyl)bis(N-phenylaniline)",CC(C)(c1ccc(Nc2ccccc2)cc1)c3ccc(cc3)C(C)(C)c4ccc(Nc5ccccc5)cc4,CC(C)(c1ccc(Nc2ccccc2)cc1)c3ccc(cc3)C(C)(C)c4ccc(Nc5ccccc5)cc4,"InChI=1/C36H36N2/c1-35(2,29-19-23-33(24-20-29)37-31-11-7-5-8-12-31)27-15-17-28(18-16-27)36(3,4)30-21-25-34(26-22-30)38-32-13-9-6-10-14-32/h5-26,37-38H,1-4H3",C36H36N2,,,,,,VABQCMJQYHCYDE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.757,253-652-5,37750-83-7,5-[(3-iodo-2-propynyl)oxy]-2-(methylthio)pyrimidine,5-[(3-iodoprop-2-yn-1-yl)oxy]-2-(methylsulfanyl)pyrimidine,CSc1ncc(OCC#CI)cn1,CSc1ncc(OCC#CI)cn1,"InChI=1/C8H7IN2OS/c1-13-8-10-5-7(6-11-8)12-4-2-3-9/h5-6H,4H2,1H3",C8H7IN2OS,,,,,,AKZAGHOFDGJXCC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.759,253-654-6,37755-50-3,(R)-1-carboxy-3-methylbutyl 5-oxo-L-prolinate,4-methyl-2-[(5-oxo-L-prolyl)oxy]pentanoic acid,CC(C)C[C@@H](OC(=O)[C@@H]1CCC(=O)N1)C(=O)O,CC(C)C[C@@H](OC(=O)[C@@H]1CCC(=O)N1)C(=O)O,"InChI=1/C11H17NO5/c1-6(2)5-8(10(14)15)17-11(16)7-3-4-9(13)12-7/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)",C11H17NO5,,,,,,BLRNKJDBDKWEAL-JGVFFNPUSA-N,,,,,,,,,,,
100.048.771,253-667-7,37785-57-2,"Potassium 2,4,5-trichlorophenoxyacetate","potassium (2,4,5-trichlorophenoxy)acetate",[K+].[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,[K+].[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3.K/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1",C8H5Cl3O3.K,,,,,,LUDUIQAQFKIYND-UHFFFAOYSA-M,,,,,,,,,,,
100.050.582,255-659-9,42115-16-2,"Pentachloro(2,3-dibromopropoxy)benzene","1,2,3,4,5-pentachloro-6-(2,3-dibromopropoxy)benzene",Clc1c(Cl)c(Cl)c(OCC(Br)CBr)c(Cl)c1Cl,Clc1c(Cl)c(Cl)c(OCC(Br)CBr)c(Cl)c1Cl,"InChI=1/C9H5Br2Cl5O/c10-1-3(11)2-17-9-7(15)5(13)4(12)6(14)8(9)16/h3H,1-2H2",C9H5Br2Cl5O,,,,,,ICFSXGHJHAOHRV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.592,255-670-9,42125-46-2,4-tert-butylcyclohexyl chloroformate,4-tert-butylcyclohexyl chlorocarbonate,CC(C)(C)C1CCC(CC1)OC(=O)Cl,CC(C)(C)C1CCC(CC1)OC(=O)Cl,"InChI=1/C11H19ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3",C11H19ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10267,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.592,YXFSGPPQRCUVRL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.615,255-696-0,42175-41-7,Benzyl decanoate,benzyl decanoate,CCCCCCCCCC(=O)OCc1ccccc1,CCCCCCCCCC(=O)OCc1ccccc1,"InChI=1/C17H26O2/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3",C17H26O2,,,,,,ZSAYVPCIKVBDRI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.616,255-697-6,42177-40-2,"4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl 2-(acetyloxy)benzoate","4-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl 2-acetoxybenzoate",CCCCC1=C(OC(=O)c2ccccc2OC(=O)C)N(N(C1=O)c3ccccc3)c4ccccc4,CCCCC1=C(OC(=O)c2ccccc2OC(=O)C)N(N(C1=O)c3ccccc3)c4ccccc4,"InChI=1/C28H26N2O5/c1-3-4-17-24-26(32)29(21-13-7-5-8-14-21)30(22-15-9-6-10-16-22)27(24)35-28(33)23-18-11-12-19-25(23)34-20(2)31/h5-16,18-19H,3-4,17H2,1-2H3",C28H26N2O5,,,,,,BLQFPOWOBDISTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.550,267-725-4,67906-58-5,"1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]anthraquinone","1,1'-[(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]bis{4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-9,10-anthraquinone}",O=C1c2ccccc2C(=O)c3c(Nc4ccc(Nc5cccc6C(=O)c7c(Nc8ccc(Nc9cccc%10C(=O)c%11ccccc%11C(=O)c9%10)c%12C(=O)c%13ccccc%13C(=O)c8%12)cccc7C(=O)c56)c%14C(=O)c%15ccccc%15C(=O)c4%14)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccc(Nc5cccc6C(=O)c7c(Nc8ccc(Nc9cccc%10C(=O)c%11ccccc%11C(=O)c9%10)c%12C(=O)c%13ccccc%13C(=O)c8%12)cccc7C(=O)c56)c%14C(=O)c%15ccccc%15C(=O)c4%14)cccc13,"InChI=1/C70H36N4O10/c75-61-33-13-1-3-15-35(33)63(77)53-41(61)21-9-25-45(53)71-49-29-31-51(59-57(49)65(79)37-17-5-7-19-39(37)67(59)81)73-47-27-11-23-43-55(47)69(83)44-24-12-28-48(56(44)70(43)84)74-52-32-30-50(58-60(52)68(82)40-20-8-6-18-38(40)66(58)80)72-46-26-10-22-42-54(46)64(78)36-16-4-2-14-34(36)62(42)76/h1-32,71-74H",C70H36N4O10,,,,,,ZPFJIHDDNVNEOW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.556,267-732-2,67907-06-6,Ethyltri(octadecyl)ammonium ethyl sulphate,"N-ethyl-N,N-dioctadecyloctadecan-1-aminium ethyl sulfate",CCCCCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C56H116N.C2H6O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57(8-4,55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3;1-2-6-7(3,4)5/h5-56H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C56H116N.C2H5O4S,,,,,,MGUHJFIMPPINPG-UHFFFAOYSA-M,,,,,,,,,,,
100.055.954,261-570-6,59039-08-6,Strontium dioleate,strontium dioctadec-9-enoate,[Sr+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Sr+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Sr,,,,,,QRGQLRSDSGSLBD-CVBJKYQLSA-L,,,,,,,,,,,
100.055.955,261-571-1,59040-30-1,Nafazatrom,"5-methyl-2-[2-(2-naphthyloxy)ethyl]-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(CCOc2ccc3ccccc3c2)C(=O)C1,CC1=NN(CCOc2ccc3ccccc3c2)C(=O)C1,"InChI=1/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,11H,8-10H2,1H3",C16H16N2O2,,,,,,ISBUYSPRIJRBKX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.960,261-576-9,59054-99-8,"2-methyl-2-butene-1,4-diyl (E)-diacetate","2-methylbut-2-ene-1,4-diyl diacetate",CC(=O)OCC=C(C)COC(=O)C,CC(=O)OCC=C(C)COC(=O)C,"InChI=1/C9H14O4/c1-7(6-13-9(3)11)4-5-12-8(2)10/h4H,5-6H2,1-3H3",C9H14O4,,,,,,LJPNEMAMFITRSO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.972,261-590-5,59071-10-2,2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl acrylate,2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl acrylate,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H12F15NO4S/c1-3-7(31)34-6-5-30(4-2)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h3H,1,4-6H2,2H3",C14H12F15NO4S,,,,,,IIEYFHNUKYSWAV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.975,261-593-1,59084-06-9,1-(2-nitrophenyl)piperazine,1-(2-nitrophenyl)piperazine,[O-][N+](=O)c1ccccc1N2CCNCC2,[O-][N+](=O)c1ccccc1N2CCNCC2,"InChI=1/C10H13N3O2/c14-13(15)10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11H,5-8H2",C10H13N3O2,,,,,,YJRCDSXLKPERNV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.979,261-597-3,59086-81-6,Dichlorohexadecylmethylsilane,dichloro(hexadecyl)methylsilane,CCCCCCCCCCCCCCCC[Si](C)(Cl)Cl,CCCCCCCCCCCCCCCC[Si](C)(Cl)Cl,"InChI=1/C17H36Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2,18)19/h3-17H2,1-2H3",C17H36Cl2Si,,,,,,BFGYAHCDCHCGHV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.981,261-599-4,59089-68-8,"2',4'-difluoro[1,1'-biphenyl]-4-ol","2',4'-difluorobiphenyl-4-ol",Oc1ccc(cc1)c2ccc(F)cc2F,Oc1ccc(cc1)c2ccc(F)cc2F,"InChI=1/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H",C12H8F2O,,,,,,ASOVDRYKVVVCIA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.982,261-600-8,59094-65-4,Ammonium thioacetate,ammonium ethanethioate,[NH4+].CC(=O)[S-],[NH4+].CC(=O)[S-],"InChI=1/C2H4OS.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3",C2H4OS.H3N,,,,,,AIODQALUGWKTRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.990,261-609-7,59118-78-4,2-mercaptoethyl oleate,2-sulfanylethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCS,CCCCCCCC\C=C/CCCCCCCC(=O)OCCS,"InChI=1/C20H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23/h9-10,23H,2-8,11-19H2,1H3",C20H38O2S,,,,,,WEMJWKKJHSZRQT-KTKRTIGZSA-N,,,,,,,,,,,
100.055.997,261-617-0,59129-19-0,Lanthanum tripotassium bis(phosphate),lanthanum tripotassium bis(phosphate),[K+].[K+].[K+].[La+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[K+].[K+].[K+].[La+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3K.La.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q3*+1;+3;;/p-6",H3O4P.3/2K.1/2La,,,,,,VBENQAYAWMYUFZ-UHFFFAOYSA-H,,,,,,,,,,,
100.058.132,263-965-9,63149-30-4,"2-methyl-1-(methylphenylamino)-4,6-di(p-tolyl)pyridinium tetrafluoroborate","2-methyl-4,6-bis(4-methylphenyl)-1-[methyl(phenyl)amino]pyridinium tetrafluoroborate",CN(c1ccccc1)[n+]2c(C)cc(cc2c3ccc(C)cc3)c4ccc(C)cc4.F[B-](F)(F)F,CN(c1ccccc1)[n+]2c(C)cc(cc2c3ccc(C)cc3)c4ccc(C)cc4.F[B-](F)(F)F,"InChI=1/C27H27N2.BF4/c1-20-10-14-23(15-11-20)25-18-22(3)29(28(4)26-8-6-5-7-9-26)27(19-25)24-16-12-21(2)13-17-24;2-1(3,4)5/h5-19H,1-4H3;/q+1;-1",C27H27N2.BF4,,,,,,VODSSAYJXXCWPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.786,262-485-7,60864-45-1,"9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","6-fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)OC(=O)C,"InChI=1/C25H29FO7/c1-13(27)31-12-20(30)24(32-14(2)28)8-6-16-17-10-19(26)18-9-15(29)5-7-22(18,3)25(17)21(33-25)11-23(16,24)4/h5,7,9,16-17,19,21H,6,8,10-12H2,1-4H3",C25H29FO7,,,,,,LNYMKQGFLVFMOI-VTBJRQEASA-N,,,,,,,,,,,
100.046.525,251-194-0,32750-04-2,"3,3',5,5'-tetrahydro[1,1'-biphenyl]-2,2'-diol","1,1'-bi(cyclohexyl)-2,2'-diol",OC1CCCCC1C2CCCCC2O,OC1CCCCC1C2CCCCC2O,"InChI=1/C12H22O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h9-14H,1-8H2",C12H6N4O10,,,,,,YHGWPWYUVDZVEX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.530,251-199-8,32754-99-7,4-aminobutyronitrile,4-aminobutanenitrile,NCCCC#N,NCCCC#N,"InChI=1/C4H8N2/c5-3-1-2-4-6/h1-3,5H2",C4H8N2,,,,,,XGYKKVTZDQDYJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.534,251-203-8,32768-54-0,"2,3-dichlorotoluene","1,2-dichloro-3-methylbenzene",Cc1cccc(Cl)c1Cl,Cc1cccc(Cl)c1Cl,"InChI=1/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3",C7H6Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12785,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.534,GWLKCPXYBLCEKC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.535,251-204-3,32770-99-3,2-methylbenzothiazol-5-ylamine dihydrochloride,"2-methyl-1,3-benzothiazol-5-amine dihydrochloride",Cl.Cl.Cc1nc2cc(N)ccc2s1,Cl.Cl.Cc1nc2cc(N)ccc2s1,"InChI=1/C8H8N2S.2ClH/c1-5-10-7-4-6(9)2-3-8(7)11-5;;/h2-4H,9H2,1H3;2*1H",C8H8N2S.2ClH,,,,,,ZNIGVBCUUZGYDU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.539,251-209-0,32777-26-7,Ethyl cycloheptanecarboxylate,ethyl cycloheptanecarboxylate,CCOC(=O)C1CCCCCC1,CCOC(=O)C1CCCCCC1,"InChI=1/C10H18O2/c1-2-12-10(11)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3",C10H18O2,,,,,,ADVNPUHITOJNRW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.542,251-212-7,32781-74-1,"6-(2,3-dibromopropionamido)-3-[[5-(2,3-dibromopropionamido)-2-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid","6-[(2,3-dibromopropanoyl)amino]-3-({5-[(2,3-dibromopropanoyl)amino]-2-sulfophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid",Oc1c(N=Nc2cc(NC(=O)C(Br)CBr)ccc2S(=O)(=O)O)c(cc3ccc(NC(=O)C(Br)CBr)cc13)S(=O)(=O)O,Oc1c(N=Nc2cc(NC(=O)C(Br)CBr)ccc2S(=O)(=O)O)c(cc3ccc(NC(=O)C(Br)CBr)cc13)S(=O)(=O)O,"InChI=1/C22H18Br4N4O9S2/c23-8-14(25)21(32)27-11-2-1-10-5-18(41(37,38)39)19(20(31)13(10)6-11)30-29-16-7-12(28-22(33)15(26)9-24)3-4-17(16)40(34,35)36/h1-7,14-15,31H,8-9H2,(H,27,32)(H,28,33)(H,34,35,36)(H,37,38,39)",C22H18Br4N4O9S2,,,,,,ZHHMGDPDMMBKAG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.545,251-215-3,32783-82-7,"2,2-dimethyl-3-oxopropyl isobutyrate","2,2-dimethyl-3-oxopropyl 2-methylpropanoate",CC(C)C(=O)OCC(C)(C)C=O,CC(C)C(=O)OCC(C)(C)C=O,"InChI=1/C9H16O3/c1-7(2)8(11)12-6-9(3,4)5-10/h5,7H,6H2,1-4H3",C9H16O3,,,,,,APOPEBBNNFTQET-UHFFFAOYSA-N,,,,,,,,,,,
100.046.550,251-221-6,32793-87-6,(-)-[(2-methylbutoxy)methyl]benzene,[(2-methylbutoxy)methyl]benzene,CCC(C)COCc1ccccc1,CCC(C)COCc1ccccc1,"InChI=1/C12H18O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3",C12H18O,,,,,,YOANEDOLERYMCY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.554,251-225-8,32797-50-5,Hex-1-enyl acetate,hex-1-en-1-yl acetate,CCCCC=COC(C)=O,CCCCC=COC(C)=O,"InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h6-7H,3-5H2,1-2H3",C8H14O2,,,,,,YDZCHDQXPLJVBG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.559,251-231-0,32808-51-8,Bucloxic acid,4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid,OC(=O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1,OC(=O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1,"InChI=1/C16H19ClO3/c17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)",C16H19ClO3,,,,,,IJTPQQVCKPZIMV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.566,251-238-9,32817-15-5,Copper glycinate,copper(1+) aminoacetate,[Cu+].NCC(=O)[O-],[Cu+].NCC(=O)[O-],"InChI=1/C2H5NO2.Cu/c3-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1",C2H5NO2.xCu,,,,,,QSCVKSGUJOSODC-UHFFFAOYSA-M,,,,,,,,,,,
100.046.567,251-239-4,32818-79-4,"Pentane-2,3-dione 2-oxime","pentane-2,3-dione 2-oxime",CCC(=O)C(C)=NO,CCC(=O)C(C)=NO,"InChI=1/C5H9NO2/c1-3-5(7)4(2)6-8/h8H,3H2,1-2H3",C5H9NO2,,,,,,ZVJBPHMCBRHVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.505,257-773-4,52238-68-3,Bis(3-methoxybutyl) peroxydicarbonate,bis(3-methoxybutyl) ethanediperoxoate,COC(C)CCOOC(=O)C(=O)OOCCC(C)OC,COC(C)CCOOC(=O)C(=O)OOCCC(C)OC,"InChI=1/C12H22O8/c1-9(15-3)5-7-17-19-11(13)12(14)20-18-8-6-10(2)16-4/h9-10H,5-8H2,1-4H3",C12H22O8,,,,,,FBQZJBMRDNLFQO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.508,257-777-6,52238-94-5,4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-2-naphthoic acid,4-{[2-chloro-5-(trifluoromethyl)phenyl]diazenyl}-3-hydroxy-2-naphthoic acid,Clc3ccc(cc3N=Nc1c2ccccc2cc(C(O)=O)c1O)C(F)(F)F,Clc3ccc(cc3N=Nc1c2ccccc2cc(C(O)=O)c1O)C(F)(F)F,"InChI=1/C18H10ClF3N2O3/c19-13-6-5-10(18(20,21)22)8-14(13)23-24-15-11-4-2-1-3-9(11)7-12(16(15)25)17(26)27/h1-8,25H,(H,26,27)",C18H10ClF3N2O3,,,,,,LFUPHTJXWMRCJO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.513,257-782-3,52244-70-9,4-(4-methoxyphenyl)butan-1-ol,4-(4-methoxyphenyl)butan-1-ol,COc1ccc(CCCCO)cc1,COc1ccc(CCCCO)cc1,"InChI=1/C11H16O2/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8,12H,2-4,9H2,1H3",C11H16O2,,,,,,ONIBHZIXCLTLNO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.526,257-797-5,52263-19-1,Diethyl methyl(3-oxocyclohexyl)malonate,diethyl methyl(3-oxocyclohexyl)malonate,CCOC(=O)C(C)(C1CCCC(=O)C1)C(=O)OCC,CCOC(=O)C(C)(C1CCCC(=O)C1)C(=O)OCC,"InChI=1/C14H22O5/c1-4-18-12(16)14(3,13(17)19-5-2)10-7-6-8-11(15)9-10/h10H,4-9H2,1-3H3",C14H22O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18647,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.526,KPEKBXBXLPRFIW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.210,264-051-2,63258-47-9,Ethyl 4-[(4-chlorophenyl)(phenylacetyl)amino]piperidine-1-carboxylate,ethyl 4-[(4-chlorophenyl)(phenylacetyl)amino]piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)N(C(=O)Cc2ccccc2)c3ccc(Cl)cc3,CCOC(=O)N1CCC(CC1)N(C(=O)Cc2ccccc2)c3ccc(Cl)cc3,"InChI=1/C22H25ClN2O3/c1-2-28-22(27)24-14-12-20(13-15-24)25(19-10-8-18(23)9-11-19)21(26)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3",C22H25ClN2O3,,,,,,IEWGVRLUCGRTRP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.213,264-054-9,63260-82-2,Ethyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate,ethyl 4-anilino-1-benzylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,CCOC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C21H26N2O2/c1-2-25-20(24)21(22-19-11-7-4-8-12-19)13-15-23(16-14-21)17-18-9-5-3-6-10-18/h3-12,22H,2,13-17H2,1H3",C21H26N2O2,,,,,,CPDREELMVQAIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.560,265-535-6,65151-45-3,Hexadecyl morpholinium hydrogen phosphate,morpholin-4-ium hexadecyl hydrogen phosphate,OP([O-])(=O)OCCCCCCCCCCCCCCCC.C1C[NH2+]CCO1,OP([O-])(=O)OCCCCCCCCCCCCCCCC.C1C[NH2+]CCO1,"InChI=1/C16H35O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-6-4-2-5-1/h2-16H2,1H3,(H2,17,18,19);5H,1-4H2",C16H35O4P.C4H9NO,,,,,,FVJANLCBOOUXAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.571,265-547-1,65151-73-7,Sodium 1-methyl 9-sulphooctadecanoate,-,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OC)S(=O)(=O)O,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OC)S(=O)(=O)O,"InChI=1/C19H38O5S.Na/c1-3-4-5-6-7-9-12-15-18(25(21,22)23)16-13-10-8-11-14-17-19(20)24-2;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1",C19H38O5S.Na,,,,,,WDWPMMUKLPOPIR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.573,265-549-2,65151-75-9,Disodium 10-(sulphonatooxy)octadecanoate,disodium 10-(sulfonatooxy)octadecanoate,[Na+].[Na+].CCCCCCCCC(CCCCCCCCC(=O)[O-])OS(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCC(CCCCCCCCC(=O)[O-])OS(=O)(=O)[O-],"InChI=1/C18H36O6S.2Na/c1-2-3-4-5-8-11-14-17(24-25(21,22)23)15-12-9-6-7-10-13-16-18(19)20;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2",C18H36O6S.2Na,,,,,,REHBUQHMOSHVSP-UHFFFAOYSA-L,,,,,,,,,,,
100.059.576,265-552-9,65151-78-2,"Octadecyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)","octadecyl dihydrogen phosphate - 2,2'-iminodiethanol (1:2)",CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO,CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO,"InChI=1/C18H39O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;2*6-3-1-5-2-4-7/h2-18H2,1H3,(H2,19,20,21);2*5-7H,1-4H2",C18H39O4P.2C4H11NO2,,,,,,IVRRIAWKYOURJW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.588,265-566-5,65152-07-0,"2,4-diisobutylphenol","2,4-diisobutylphenol",CC(C)Cc1ccc(O)c(CC(C)C)c1,CC(C)Cc1ccc(O)c(CC(C)C)c1,"InChI=1/C14H22O/c1-10(2)7-12-5-6-14(15)13(9-12)8-11(3)4/h5-6,9-11,15H,7-8H2,1-4H3",C14H22O,,,,,,HODFXOIYAQPWHD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.589,265-567-0,65152-09-2,5-[(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",CN2CCSC2=CC=C1SC(=S)N(CC(O)=O)C1=O,CN2CCSC2=CC=C1SC(=S)N(CC(O)=O)C1=O,"InChI=1/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)",C11H12N2O3S3,,,,,,AMSAICQWZZDCEM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.590,265-568-6,65152-16-1,Calcium 1-amino-4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate,calcium 1-amino-4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Ca+2].Cc1cc(c(cc1Cl)N=Nc3cc(c(N)c2ccccc23)S([O-])(=O)=O)S([O-])(=O)=O,[Ca+2].Cc1cc(c(cc1Cl)N=Nc3cc(c(N)c2ccccc23)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H14ClN3O6S2.Ca/c1-9-6-15(28(22,23)24)14(7-12(9)18)21-20-13-8-16(29(25,26)27)17(19)11-5-3-2-4-10(11)13;/h2-8H,19H2,1H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2",C17H14ClN3O6S2.Ca,,,,,,RXBBZSCCJAVCHV-UHFFFAOYSA-L,,,,,,,,,,,
100.059.593,265-571-2,65152-20-7,Calcium 1-amino-4-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate,calcium 1-amino-4-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Ca+2].[O-]S(=O)(=O)c3cc(N=Nc1ccc(C)cc1S([O-])(=O)=O)c2ccccc2c3N,[Ca+2].[O-]S(=O)(=O)c3cc(N=Nc1ccc(C)cc1S([O-])(=O)=O)c2ccccc2c3N,"InChI=1/C17H15N3O6S2.Ca/c1-10-6-7-13(15(8-10)27(21,22)23)19-20-14-9-16(28(24,25)26)17(18)12-5-3-2-4-11(12)14;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);/q;+2/p-2",C17H15N3O6S2.Ca,,,,,,DAECNVZEQKEXCN-UHFFFAOYSA-L,,,,,,,,,,,
100.061.610,267-791-4,67923-87-9,Sodium 2-[2-[2-(octylphenoxy)ethoxy]ethoxy]ethanesulphonate,sodium 2-{2-[2-(2-octylphenoxy)ethoxy]ethoxy}ethanesulfonate,[Na+].CCCCCCCCc1ccccc1OCCOCCOCCS(=O)(=O)[O-],[Na+].CCCCCCCCc1ccccc1OCCOCCOCCS(=O)(=O)[O-],"InChI=1/C20H34O6S.Na/c1-2-3-4-5-6-7-10-19-11-8-9-12-20(19)26-16-15-24-13-14-25-17-18-27(21,22)23;/h8-9,11-12H,2-7,10,13-18H2,1H3,(H,21,22,23);/q;+1/p-1",C20H34O6S.Na,,,,,,HRRWKHBHFYQOKW-UHFFFAOYSA-M,,,,,,,,,,,
100.061.614,267-796-1,67923-95-9,Methylenebis[dinonylphenol],"4,4'-methylenebis(2,3-dinonylphenol)",CCCCCCCCCc1c(O)ccc(Cc2ccc(O)c(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC,CCCCCCCCCc1c(O)ccc(Cc2ccc(O)c(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC,"InChI=1/C49H84O2/c1-5-9-13-17-21-25-29-33-44-42(37-39-48(50)46(44)35-31-27-23-19-15-11-7-3)41-43-38-40-49(51)47(36-32-28-24-20-16-12-8-4)45(43)34-30-26-22-18-14-10-6-2/h37-40,50-51H,5-36,41H2,1-4H3",C49H84O2,,,,,,SLWIMLGZWDCSEW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.621,255-702-1,42189-56-0,"1-(pyren-1-yl)-1H-pyrrole-2,5-dione","1-pyren-1-yl-1H-pyrrole-2,5-dione",O=C1C=CC(=O)N1c2ccc3ccc4cccc5ccc2c3c45,O=C1C=CC(=O)N1c2ccc3ccc4cccc5ccc2c3c45,InChI=1/C20H11NO2/c22-17-10-11-18(23)21(17)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)20(14)19(12)13/h1-11H,C20H11NO2,,,,,,YXKWRQLPBHVBRP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.623,255-704-2,42195-92-6,"2,3-dimethylcyclohexylamine","2,3-dimethylcyclohexanamine",CC1CCCC(N)C1C,CC1CCCC(N)C1C,"InChI=1/C8H17N/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5,9H2,1-2H3",C8H17N,,,,,,LKWOOKWVBNSLGN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.494,253-360-8,37138-26-4,"Tetrasodium 4,4'-bis[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Cl)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n2)cc1,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Cl)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n2)cc1,"InChI=1/C32H24Cl2N10O12S4.4Na/c33-27-39-29(35-19-7-11-23(12-8-19)57(45,46)47)43-31(41-27)37-21-5-3-17(25(15-21)59(51,52)53)1-2-18-4-6-22(16-26(18)60(54,55)56)38-32-42-28(34)40-30(44-32)36-20-9-13-24(14-10-20)58(48,49)50;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;;;/q;4*+1/p-4",C32H24Cl2N10O12S4.4Na,,,,,,IJABFRMKWXSSKJ-MBCFVHIPSA-J,,,,,,,,,,,
100.050.004,255-023-0,40655-37-6,"N-[4-(1,1-dimethylethyl)-2-nitrophenyl]acetamide",N-(4-tert-butyl-2-nitrophenyl)acetamide,CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(C)(C)C,CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(C)(C)C,"InChI=1/C12H16N2O3/c1-8(15)13-10-6-5-9(12(2,3)4)7-11(10)14(16)17/h5-7H,1-4H3,(H,13,15)",C12H16N2O3,,,,,,ZKEOXGOYGVYZJN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.010,255-029-3,40666-16-8,Fluprostenol,"7-(3,5-dihydroxy-2-{3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}cyclopentyl)hept-5-enoic acid",O[C@@H]2C[C@H](O)[C@H](CC=CCCCC(O)=O)[C@H]2C=C[C@@H](O)COc1cc(ccc1)C(F)(F)F,O[C@@H]2C[C@H](O)[C@H](CC=CCCCC(O)=O)[C@H]2C=C[C@@H](O)COc1cc(ccc1)C(F)(F)F,"InChI=1/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)",C23H29F3O6,,,,,,WWSWYXNVCBLWNZ-LELZANKISA-N,,,,,,,,,,,
100.050.021,255-041-9,40695-90-7,Bis[2-(2-hydroxymethylethoxy)methylethyl] phosphonate,bis[3-(3-hydroxypropoxy)propyl] phosphonate,OCCCOCCCOP(=O)OCCCOCCCO,OCCCOCCCOP(=O)OCCCOCCCO,"InChI=1/C12H27O7P/c13-5-1-7-16-9-3-11-18-20(15)19-12-4-10-17-8-2-6-14/h13-14,20H,1-12H2",C12H27O7P,,,,,,AXHZKYYGJIBZKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.025,255-046-6,40703-12-6,"2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium","4-{5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-2,3-dihydro-1H-benzimidazol-1-yl}butane-2-sulfonate",[O-]S(=O)(=O)C(C)CCN3c4cc(Cl)c(Cl)cc4N(CC)C3=CC=Cc2oc1ccccc1[n+]2CC,[O-]S(=O)(=O)C(C)CCN3c4cc(Cl)c(Cl)cc4N(CC)C3=CC=Cc2oc1ccccc1[n+]2CC,"InChI=1/C25H27Cl2N3O4S/c1-4-28-21-15-18(26)19(27)16-22(21)30(14-13-17(3)35(31,32)33)24(28)11-8-12-25-29(5-2)20-9-6-7-10-23(20)34-25/h6-12,15-17H,4-5,13-14H2,1-3H3",C25H27Cl2N3O4S,,,,,,DHVRNVXEOZIDIS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.838,257-040-9,51186-88-0,"m-phenoxybenzyl (1R-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,CC(=CC1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,"InChI=1/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3",C23H26O3,,,,,,SBNFWQZLDJGRLK-LBAQZLPGSA-N,,,,,,,,,,,
100.051.853,257-057-1,51209-16-6,Propylene dimyristate,"propane-1,2-diyl ditetradecanoate",CCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCC,"InChI=1/C31H60O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(32)34-28-29(3)35-31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3",C31H60O4,,,,,,NRRPJRVSNIJDAP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.854,257-058-7,51209-49-5,[2H10]cyclohexanone,cyclohexanone,O=C1CCCCC1,O=C1CCCCC1,InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2,C6D10O,,,,,,JHIVVAPYMSGYDF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.864,257-069-7,51234-28-7,Benoxaprofen,"2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid",CC(C(=O)O)c1ccc2oc(nc2c1)c3ccc(Cl)cc3,CC(C(=O)O)c1ccc2oc(nc2c1)c3ccc(Cl)cc3,"InChI=1/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)",C16H12ClNO3,,,,,,MITFXPHMIHQXPI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.375,258-732-3,53735-50-5,2-propyl-2-heptenyl acetate,2-propylhept-2-en-1-yl acetate,CCCC(=CCCCC)COC(C)=O,CCCC(=CCCCC)COC(C)=O,"InChI=1/C12H22O2/c1-4-6-7-9-12(8-5-2)10-14-11(3)13/h9H,4-8,10H2,1-3H3",C12H22O2,,,,,,DOKHOJPVBMMDKY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.775,253-671-9,37795-71-4,"2,3-dihydro-3-methyl-9H-isoxazolo[3,2-b]quinazolin-9-one","3-methyl-2,3-dihydro-9H-isoxazolo[3,2-b]quinazolin-9-one",CC1CON2C(=O)c3ccccc3N=C12,CC1CON2C(=O)c3ccccc3N=C12,"InChI=1/C11H10N2O2/c1-7-6-15-13-10(7)12-9-5-3-2-4-8(9)11(13)14/h2-5,7H,6H2,1H3",C11H10N2O2,,,,,,FASHSDVYBORDDB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.144,263-979-5,63163-96-2,"N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxovaleramide","N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide",CC(C)(C)C(=O)CC(=O)Nc1cc(ccc1Cl)[N+](=O)[O-],CC(C)(C)C(=O)CC(=O)Nc1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C13H15ClN2O4/c1-13(2,3)11(17)7-12(18)15-10-6-8(16(19)20)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,15,18)",C13H15ClN2O4,,,,,,HJVPUVSOKRKPPC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.154,263-990-5,63182-21-8,Chromium(3+) sodium tetraformate,chromium(3+) sodium tetraformate,[Na+].[Cr+3].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O,[Na+].[Cr+3].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O,"InChI=1/4CH2O2.Cr.Na/c4*2-1-3;;/h4*1H,(H,2,3);;/q;;;;+3;+1/p-4",CH2O2.1/4Cr.1/4Na,,,,,,ZVZYSZBZEBELRF-UHFFFAOYSA-J,,,,,,,,,,,
100.058.157,263-993-1,63192-51-8,Disodium 6-amino-5-[[4-(benzoylamino)-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-{[4-(benzoylamino)-2-sulfonatophenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c4cc(NC(=O)c1ccccc1)ccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4cc(NC(=O)c1ccccc1)ccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,"InChI=1/C23H18N4O8S2.2Na/c24-17-8-6-14-10-16(36(30,31)32)12-19(28)21(14)22(17)27-26-18-9-7-15(11-20(18)37(33,34)35)25-23(29)13-4-2-1-3-5-13;;/h1-12,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H18N4O8S2.2Na,,,,,,XEWVXTPHSJWRNN-UHFFFAOYSA-L,,,,,,,,,,,
100.058.170,264-007-2,63216-89-7,"2-benzo[f]quinolin-3-yl-1H-indene-1,3(2H)-dione","2-benzo[f]quinolin-3-yl-1H-indene-1,3(2H)-dione",O=C1C(C(=O)c2ccccc12)c3ccc4c(ccc5ccccc45)n3,O=C1C(C(=O)c2ccccc12)c3ccc4c(ccc5ccccc45)n3,"InChI=1/C22H13NO2/c24-21-16-7-3-4-8-17(16)22(25)20(21)19-12-10-15-14-6-2-1-5-13(14)9-11-18(15)23-19/h1-12,20H",C22H13NO2,,,,,,WPKTWXFYOAVLHB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.172,264-009-3,63216-95-5,2-[(2-cyanoethyl)phenylamino]ethyl ethylcarbamate,2-[(2-cyanoethyl)(phenyl)amino]ethyl ethylcarbamate,CCNC(=O)OCCN(CCC#N)c1ccccc1,CCNC(=O)OCCN(CCC#N)c1ccccc1,"InChI=1/C14H19N3O2/c1-2-16-14(18)19-12-11-17(10-6-9-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,10-12H2,1H3,(H,16,18)",C14H19N3O2,,,,,,RQMOPOXAUBOEEP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.515,265-486-0,65122-28-3,Hexadecadienyl dihydrogen phosphate,"hexadeca-1,3-dien-1-yl dihydrogen phosphate",OP(=O)(O)OC=CC=CCCCCCCCCCCCC,OP(=O)(O)OC=CC=CCCCCCCCCCCCC,"InChI=1/C16H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h13-16H,2-12H2,1H3,(H2,17,18,19)",C16H31O4P,,,,,,DIIBOSLQYNJPMB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.518,265-489-7,65122-44-3,"4-[(3-aminophenyl)azo]benzene-1,3-diamine monoacetate","4-[(3-aminophenyl)diazenyl]benzene-1,3-diamine acetate",CC(O)=O.Nc2cccc(N=Nc1ccc(N)cc1N)c2,CC(O)=O.Nc2cccc(N=Nc1ccc(N)cc1N)c2,"InChI=1/C12H13N5.C2H4O2/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15;1-2(3)4/h1-7H,13-15H2;1H3,(H,3,4)",C12H13N5.C2H4O2,,,,,,AHQBRNKSJWJUKC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.519,265-490-2,65122-45-4,"Formic acid, compound with 4-[(m-aminophenyl)azo]benzene-1,3-diamine (1:1)","formic acid - 4-[(3-aminophenyl)diazenyl]benzene-1,3-diamine (1:1)",OC=O.Nc2cccc(N=Nc1ccc(N)cc1N)c2,OC=O.Nc2cccc(N=Nc1ccc(N)cc1N)c2,"InChI=1/C12H13N5.CH2O2/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15;2-1-3/h1-7H,13-15H2;1H,(H,2,3)",C12H13N5.CH2O2,,,,,,UNCAXTVLEOJEQX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.521,265-492-3,65127-78-8,Lead 12-hydroxyoctadecanoate,lead(4+) tetrakis(12-hydroxyoctadecanoate),[Pb].OC(=O)CCCCCCCCCCC(O)CCCCCC,[Pb].OC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C18H36O3.Pb.2H/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;;/h17,19H,2-16H2,1H3,(H,20,21);;;/q;+4;;/rC18H36O3.H2Pb/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);1H2/q;+4",C18H36O3.xPb,,,,,,MWQXNHBKRPPTJW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.529,265-501-0,65138-72-9,"N,N,N'-tris(1-methylethyl)benzenediamine","N,N,N'-triisopropylbenzene-1,2-diamine",CC(C)Nc1ccccc1N(C(C)C)C(C)C,CC(C)Nc1ccccc1N(C(C)C)C(C)C,"InChI=1/C15H26N2/c1-11(2)16-14-9-7-8-10-15(14)17(12(3)4)13(5)6/h7-13,16H,1-6H3",C15H26N2,,,,,,APUVYDSWQXMNEV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.531,265-503-1,65138-74-1,Diammonium decyl phosphate,diammonium decyl phosphate,[NH4+].[NH4+].CCCCCCCCCCOP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C10H23O4P.2H3N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;;/h2-10H2,1H3,(H2,11,12,13);2*1H3",C10H23O4P.2H3N,,,,,,NSHALSWRWTYBOI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.542,265-515-7,65147-24-2,"Disodium 1-amino-4-[[3-[(2-bromo-1-oxoallyl)amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-({3-[(2-bromoacryloyl)amino]-2,4,6-trimethyl-5-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1c(NC(=O)C(=C)Br)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Cc1c(NC(=O)C(=C)Br)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C26H22BrN3O9S2.2Na/c1-10-21(11(2)25(41(37,38)39)12(3)22(10)30-26(33)13(4)27)29-16-9-17(40(34,35)36)20(28)19-18(16)23(31)14-7-5-6-8-15(14)24(19)32;;/h5-9,29H,4,28H2,1-3H3,(H,30,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C26H22BrN3O9S2.2Na,,,,,,TVWBPUZDERZRMO-UHFFFAOYSA-L,,,,,,,,,,,
100.052.536,257-808-3,52277-85-7,1H-pyrazolol,1H-pyrazol-3-ol,Oc1cc[nH]n1,Oc1cc[nH]n1,"InChI=1/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",C3H4N2O,,,,,,XBYRMPXUBGMOJC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.112,266-144-3,66104-36-7,"3-[(4-methoxyphenyl)azo]pyridine-2,6-diamine monohydrochloride","3-[(4-methoxyphenyl)diazenyl]pyridine-2,6-diamine hydrochloride",Cl.Nc2nc(N)ccc2N=Nc1ccc(OC)cc1,Cl.Nc2nc(N)ccc2N=Nc1ccc(OC)cc1,"InChI=1/C12H13N5O.ClH/c1-18-9-4-2-8(3-5-9)16-17-10-6-7-11(13)15-12(10)14;/h2-7H,1H3,(H4,13,14,15);1H",C12H13N5O.ClH,,,,,,GGUMLCXZZFPUHA-UHFFFAOYSA-N,,,,,,,,,,,
100.060.114,266-146-4,66104-41-4,Barium abietate,"barium diabieta-7,13-dien-18-oate",[Ba+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4,[Ba+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4,"InChI=1/2C20H30O2.Ba/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2",C20H30O2.1/2Ba,,,,,,ZQGVSNSRNASLMU-JHZYRPMRSA-L,,,,,,,,,,,
100.060.116,266-149-0,66104-43-6,Disodium 4-[[4-[(sulphonatomethyl)amino]phenyl]azo]benzenesulphonate,disodium 4-({4-[(sulfonatomethyl)amino]phenyl}diazenyl)benzenesulfonate,[Na+].[Na+].[O-]S(=O)(=O)CNc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2,[Na+].[Na+].[O-]S(=O)(=O)CNc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2,"InChI=1/C13H13N3O6S2.2Na/c17-23(18,19)9-14-10-1-3-11(4-2-10)15-16-12-5-7-13(8-6-12)24(20,21)22;;/h1-8,14H,9H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C13H13N3O6S2.2Na,,,,,,NMFOJQBHWJIIEY-UHFFFAOYSA-L,,,,,,,,,,,
100.060.122,266-155-3,66104-58-3,"3,9-dichloro-7H-benz[de]anthracen-7-one","3,9-dichloro-7H-benzo[de]anthracen-7-one",Clc1ccc2c(c1)C(=O)c3cccc4c(Cl)ccc2c34,Clc1ccc2c(c1)C(=O)c3cccc4c(Cl)ccc2c34,InChI=1/C17H8Cl2O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9/h1-8H,C17H8Cl2O,,,,,,CWOMZMMYXCMUCI-UHFFFAOYSA-N,,,,,,,,,,,
100.060.124,266-157-4,66104-71-0,4-(hexadecylamino)benzoyl chloride,4-(hexadecylamino)benzoyl chloride,CCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)Cl,CCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)Cl,"InChI=1/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-22-18-16-21(17-19-22)23(24)26/h16-19,25H,2-15,20H2,1H3",C23H38ClNO,,,,,,PTHLFCDJLPZHJW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.628,267-811-1,67929-86-6,Methyl 5-methoxy-1H-indole-2-carboxylate,methyl 5-methoxy-1H-indole-2-carboxylate,COC(=O)c1cc2cc(OC)ccc2[nH]1,COC(=O)c1cc2cc(OC)ccc2[nH]1,"InChI=1/C11H11NO3/c1-14-8-3-4-9-7(5-8)6-10(12-9)11(13)15-2/h3-6,12H,1-2H3",C11H11NO3,,,,,,OXXJVMUTSUYQBR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.650,267-835-2,67939-36-0,2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl methacrylate,2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl methacrylate,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H14F15NO4S/c1-4-31(5-6-35-8(32)7(2)3)36(33,34)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h2,4-6H2,1,3H3",C15H14F15NO4S,,,,,,VOQYRTHXEXILMW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.793,262-493-0,60864-54-2,"9-bromo-6ß-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione","9-bromo-6-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H28BrFO5/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3",C22H28BrFO5,,,,,,WBGALRHCOHLGJC-QODHSQIYSA-N,,,,,,,,,,,
100.056.798,262-498-8,60864-69-9,"2-bromo-9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate","2-bromo-6-fluoro-17-hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)Br,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)Br,"InChI=1/C23H26BrFO6/c1-11(26)30-10-18(28)22(29)5-4-12-13-6-16(25)14-7-17(27)15(24)8-21(14,3)23(13)19(31-23)9-20(12,22)2/h7-8,12-13,16,19,29H,4-6,9-10H2,1-3H3",C23H26BrFO6,,,,,,RRHFZMJQCAJVNE-BLZOHXOJSA-N,,,,,,,,,,,
100.056.803,262-503-3,60864-76-8,"2-bromo-6ß-fluoro-17,21-dihydroxy-16ß-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate","2-bromo-6-fluoro-17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)Br,C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)Br,"InChI=1/C24H28BrFO5/c1-12-7-16-14-8-19(26)17-9-20(28)18(25)10-22(17,3)15(14)5-6-23(16,4)24(12,30)21(29)11-31-13(2)27/h5,9-10,12,14,16,19,30H,6-8,11H2,1-4H3",C24H28BrFO5,,,,,,PSNYSZVUCFWIID-MGQHRJHGSA-N,,,,,,,,,,,
100.056.807,262-508-0,60871-86-5,4-nitro-N-[3-(triethoxysilyl)propyl]benzamide,4-nitro-N-[3-(triethoxysilyl)propyl]benzamide,CCO[Si](CCCNC(=O)c1ccc(cc1)[N+](=O)[O-])(OCC)OCC,CCO[Si](CCCNC(=O)c1ccc(cc1)[N+](=O)[O-])(OCC)OCC,"InChI=1/C16H26N2O6Si/c1-4-22-25(23-5-2,24-6-3)13-7-12-17-16(19)14-8-10-15(11-9-14)18(20)21/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)",C16H26N2O6Si,,,,,,NMWDYCNYWCIATE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.624,267-806-4,67924-21-4,"Hexaammonium dihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","hexaammonium dihydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.6H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);6*1H3/p-2",C10H28N2O12P4.6H3N,,,,,,OVIJOEBIXCCXGA-UHFFFAOYSA-L,,,,,,,,,,,
100.056.250,261-894-8,59737-00-7,"2-[2-[(2,4-dimethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-{2-[(2,4-dimethoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium acetate",COc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.CC(=O)[O-],COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.CC(=O)[O-],"InChI=1/C21H24N2O2.C2H4O2/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-2(3)4/h6-14H,1-5H3;1H3,(H,3,4)",C21H25N2O2.C2H3O2,,,,,,YLNBCTXNNPUVMR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.258,261-904-0,59742-28-8,"1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethylnaphthalene-2-carbaldehyde","2,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehyde",CC1(C)CCCC2=C1CC(C)(CC2)C=O,CC1(C)CCCC2=C1CC(C)(CC2)C=O,"InChI=1/C14H22O/c1-13(2)7-4-5-11-6-8-14(3,10-15)9-12(11)13/h10H,4-9H2,1-3H3",C14H22O,,,,,,PCSOKTFMEGMRBK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.265,261-911-9,59748-90-2,4-bromo-2-chlorobenzoic acid,4-bromo-2-chlorobenzoic acid,OC(=O)c1ccc(Br)cc1Cl,OC(=O)c1ccc(Br)cc1Cl,"InChI=1/C7H4BrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)",C7H4BrClO2,,,,,,JAVZWSOFJKYSDY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.266,261-912-4,59752-57-7,(R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]ethylene dilaurate,"3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl didodecanoate",CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC,"InChI=1/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)",C29H58NO8P,,,,,,ZLGYVWRJIZPQMM-HHHXNRCGSA-N,,,,,,,,,,,
100.057.678,263-465-0,62221-15-2,4-(isopropyl)-cyclohexaneacetonitrile,(4-isopropylcyclohexyl)acetonitrile,CC(C)C1CCC(CC#N)CC1,CC(C)C1CCC(CC#N)CC1,"InChI=1/C11H19N/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9-11H,3-7H2,1-2H3",C11H19N,,,,,,MADOTEZDMNLKFB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.693,263-481-8,62268-07-9,"(5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diyl dipropionate hydrochloride","17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dipropanoate hydrochloride",Cl.CCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)CC)c5O[C@@H]1[C@]2(CCN3C)c45,Cl.CCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)CC)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C23H27NO5.ClH/c1-4-18(25)27-16-8-6-13-12-15-14-7-9-17(28-19(26)5-2)22-23(14,10-11-24(15)3)20(13)21(16)29-22;/h6-9,14-15,17,22H,4-5,10-12H2,1-3H3;1H",C23H27NO5.ClH,,,,,,BECXVFRWSMFNCZ-CBSATYQCSA-N,,,,,,,,,,,
100.057.704,263-493-3,62302-28-7,4-hydroxymethylpiperidinium chloride,4-(hydroxymethyl)piperidinium chloride,[Cl-].OCC1CC[NH2+]CC1,[Cl-].OCC1CC[NH2+]CC1,"InChI=1/C6H13NO.ClH/c8-5-6-1-3-7-4-2-6;/h6-8H,1-5H2;1H",C6H7NO.ClH,,,,,,CPQFGECQYJPNCI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.220,264-062-2,63270-28-0,Disodium 3-hydroxy-2-(2-hydroxy-4-methoxysulphonatobenzoyl)-5-methoxybenzenesulphonate,disodium 3-hydroxy-2-(2-hydroxy-4-methoxy-3-sulfonatobenzoyl)-5-methoxybenzenesulfonate,[Na+].[Na+].COc1cc(O)c(C(=O)c2ccc(OC)c(c2O)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].COc1cc(O)c(C(=O)c2ccc(OC)c(c2O)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C15H14O11S2.2Na/c1-25-7-5-9(16)12(11(6-7)27(19,20)21)13(17)8-3-4-10(26-2)15(14(8)18)28(22,23)24;;/h3-6,16,18H,1-2H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C15H14O11S2.2Na,,,,,,XFYMGUJRWNLSBR-UHFFFAOYSA-L,,,,,,,,,,,
100.058.228,264-071-1,63284-71-9,5-(2-chloro-4'-fluorobenzhydryl)-4-hydroxypyrimidine,5-[(2-chlorophenyl)(4-fluorophenyl)methyl]pyrimidin-4-ol,Oc1ncncc1C(c2ccc(F)cc2)c3ccccc3Cl,Oc1ncncc1C(c2ccc(F)cc2)c3ccccc3Cl,"InChI=1/C17H12ClFN2O/c18-15-4-2-1-3-13(15)16(11-5-7-12(19)8-6-11)14-9-20-10-21-17(14)22/h1-10,16H,(H,20,21,22)",C17H12ClFN2O,,,,,,FNAHEHQUOIFHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.235,264-079-5,63295-29-4,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-2-hydroxy-16-(trifluoromethyl)heptadecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-2-hydroxy-16-(trifluoromethyl)heptadecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C18H8F31O5P/c19-4(20,1-3(50)2-54-55(51,52)53)6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)15(40,41)13(36,37)11(32,33)9(28,29)7(24,25)5(21,17(44,45)46)18(47,48)49/h3,50H,1-2H2,(H2,51,52,53)",C18H8F31O5P,,,,,,PPWMMKOULSCBKB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.242,264-086-3,63302-94-3,Bis(nonylphenyl) phenyl phosphate,bis(2-nonylphenyl) phenyl phosphate,CCCCCCCCCc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3CCCCCCCCC,CCCCCCCCCc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3CCCCCCCCC,"InChI=1/C36H51O4P/c1-3-5-7-9-11-13-16-24-32-26-20-22-30-35(32)39-41(37,38-34-28-18-15-19-29-34)40-36-31-23-21-27-33(36)25-17-14-12-10-8-6-4-2/h15,18-23,26-31H,3-14,16-17,24-25H2,1-2H3",C36H51O4P,,,,,,FTSMGZRCWLCYHC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.776,253-672-4,37806-29-4,2-ethoxybenzylamine,1-(2-ethoxyphenyl)methanamine,CCOc1ccccc1CN,CCOc1ccccc1CN,"InChI=1/C9H13NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2,7,10H2,1H3",C9H13NO,,,,,,LAUPTNYHVCVPFH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.777,253-674-5,37808-28-9,Methylbenzoyl chloride,2-methylbenzoyl chloride,Cc1ccccc1C(=O)Cl,Cc1ccccc1C(=O)Cl,"InChI=1/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",C8H7ClO,,,,,,GPZXFICWCMCQPF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.781,253-678-7,37828-01-6,"3,5-bis(chlorosulphonyl)benzoyl chloride","3,5-bis(chlorosulfonyl)benzoyl chloride",ClC(=O)c1cc(cc(c1)S(=O)(=O)Cl)S(=O)(=O)Cl,ClC(=O)c1cc(cc(c1)S(=O)(=O)Cl)S(=O)(=O)Cl,"InChI=1/C7H3Cl3O5S2/c8-7(11)4-1-5(16(9,12)13)3-6(2-4)17(10,14)15/h1-3H",C7H3Cl3O5S2,,,,,,UCPAOLHXMFSGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.784,253-681-3,37832-55-6,"2,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid","5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=CC(=O)NN1,OC(=O)C1=CC(=O)NN1,"InChI=1/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H,(H,8,9)(H2,5,6,7)",C4H4N2O3,,,,,,FERCTUUKKXAWIL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.789,253-687-6,37843-11-1,"Trichloro(2-tricyclo[3.3.1.13,7]decylethyl)silane",(2-adamantan-1-ylethyl)(trichloro)silane,Cl[Si](Cl)(Cl)CCC12CC3CC(CC(C3)C1)C2,Cl[Si](Cl)(Cl)CCC12CC3CC(CC(C3)C1)C2,"InChI=1/C12H19Cl3Si/c13-16(14,15)2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2",C12H19Cl3Si,,,,,,HLBWWITUVOEXHH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.805,253-704-7,37894-46-5,"6-(2-chloroethyl)-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane","6-(2-chloroethyl)-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](CCCl)(OCCOC)OCCOC,COCCO[Si](CCCl)(OCCOC)OCCOC,"InChI=1/C11H25ClO6Si/c1-13-5-8-16-19(11-4-12,17-9-6-14-2)18-10-7-15-3/h4-11H2,1-3H3",C11H25ClO6Si,,,,,,SLZWEMYSYKOWCG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.807,253-706-8,37902-14-0,"Disodium 3,3'-thiobispropionate","disodium 3,3'-sulfanediyldipropanoate",[Na+].[Na+].[O-]C(=O)CCSCCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CCSCCC(=O)[O-],"InChI=1/C6H10O4S.2Na/c7-5(8)1-3-11-4-2-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H10O4S.2Na,,,,,,MUTPUZBXXFFKEW-UHFFFAOYSA-L,,,,,,,,,,,
100.048.808,253-707-3,37902-58-2,4-oxo-4-(phenylamino)-2-butenoic acid,4-anilino-4-oxobut-2-enoic acid,O=C(Nc1ccccc1)C=CC(O)=O,O=C(Nc1ccccc1)C=CC(O)=O,"InChI=1/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)",C10H9NO3,,,,,,WHZLCOICKHIPRL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.810,253-709-4,37908-98-8,Methyl 3-chloro-p-anisate,methyl 3-chloro-4-methoxybenzoate,COC(=O)c1ccc(OC)c(Cl)c1,COC(=O)c1ccc(OC)c(Cl)c1,"InChI=1/C9H9ClO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3",C9H9ClO3,,,,,,PINQDVFQCCFACD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.812,253-712-0,37910-77-3,Ethyl (Z)-docos-13-enoate,ethyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC,"InChI=1/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3",C24H46O2,,,,,,WFZQLUSOXHIVKL-QXMHVHEDSA-N,,,,,,,,,,,
100.048.815,253-715-7,37920-25-5,1-(4-butylphenyl)ethan-1-one,1-(4-butylphenyl)ethanone,CCCCc1ccc(cc1)C(=O)C,CCCCc1ccc(cc1)C(=O)C,"InChI=1/C12H16O/c1-3-4-5-11-6-8-12(9-7-11)10(2)13/h6-9H,3-5H2,1-2H3",C12H16O,,,,,,MQESVSITPLILCO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.817,253-717-8,37922-18-2,"2,4,5-trimethyl-4-phenyl-1,3-dioxane","2,4,5-trimethyl-4-phenyl-1,3-dioxane",CC1OCC(C)C(C)(O1)c2ccccc2,CC1OCC(C)C(C)(O1)c2ccccc2,"InChI=1/C13H18O2/c1-10-9-14-11(2)15-13(10,3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",C13H18O2,,,,,,HIPJVLQQRRZAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.819,253-719-9,37927-29-0,"(11ß,17a)-11,17-dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid","11,17-dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)O,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)O,"InChI=1/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)",C20H26O5,,,,,,MCKJPJYRCPANCC-XLXYOEISSA-N,,,,,,,,,,,
100.052.127,257-358-8,51716-96-2,3-amino-7-(diethylamino)-2-methylphenoxazin-5-ium tetrachlorozincate (2:1),bis[3-amino-7-(diethylamino)-2-methylphenoxazin-5-ium] tetrachlorozincate(2-),CCN(CC)c1ccc2nc3cc(C)c(N)cc3[o+]c2c1.CCN(CC)c4ccc5nc6cc(C)c(N)cc6[o+]c5c4.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc2nc3cc(C)c(N)cc3[o+]c2c1.CCN(CC)c4ccc5nc6cc(C)c(N)cc6[o+]c5c4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C17H20N3O.4ClH.Zn/c2*1-4-20(5-2)12-6-7-14-16(9-12)21-17-10-13(18)11(3)8-15(17)19-14;;;;;/h2*6-10H,4-5,18H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H20N3O.Cl4Zn/c2*1-4-20(5-2)12-6-7-14-16(9-12)21-17-10-13(18)11(3)8-15(17)19-14;1-5(2,3)4/h2*6-10H,4-5,18H2,1-3H3;/q2*+1;-2",C17H20N3O.1/2Cl4Zn,,,,,,SIHASHFMDFXGSX-UHFFFAOYSA-J,,,,,,,,,,,
100.052.128,257-359-3,51727-47-0,2-[[(phenylamino)carbonyl]oxy]ethyl methacrylate,2-[(phenylcarbamoyl)oxy]ethyl methacrylate,CC(=C)C(=O)OCCOC(=O)Nc1ccccc1,CC(=C)C(=O)OCCOC(=O)Nc1ccccc1,"InChI=1/C13H15NO4/c1-10(2)12(15)17-8-9-18-13(16)14-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,14,16)",C13H15NO4,,,,,,UQFMGLLQCSSNQM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.548,265-522-5,65150-90-5,Sodium 10-acetoxy-1-octyldecyl sulphate,sodium 10-acetoxy-1-octyldecyl sulfate,[Na+].CCCCCCCCC(CCCCCCCCCOC(=O)C)OS(=O)(=O)[O-],[Na+].CCCCCCCCC(CCCCCCCCCOC(=O)C)OS(=O)(=O)[O-],"InChI=1/C20H40O6S.Na/c1-3-4-5-6-10-13-16-20(26-27(22,23)24)17-14-11-8-7-9-12-15-18-25-19(2)21;/h20H,3-18H2,1-2H3,(H,22,23,24);/q;+1/p-1",C20H40O6S.Na,,,,,,WHMNEHNTCGNPEU-UHFFFAOYSA-M,,,,,,,,,,,
100.061.571,267-749-5,67914-86-7,"cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate","[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate",CS(=O)(=O)OCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,CS(=O)(=O)OCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,"InChI=1/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3",C14H15Cl2N3O5S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17280,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.571,QIMASXGTWQEFGS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.577,267-755-8,67920-94-9,1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,CC(C)C12CCC(C)(CC1C=O)C=C2,CC(C)C12CCC(C)(CC1C=O)C=C2,"InChI=1/C13H20O/c1-10(2)13-6-4-12(3,5-7-13)8-11(13)9-14/h4,6,9-11H,5,7-8H2,1-3H3",C13H20O,,,,,,PDSPBIIMJJPMBL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.578,267-756-3,67923-41-5,"2-(4-chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(4-chlorophenyl)-4-{[4-chloro-2-(trifluoromethyl)phenyl]diazenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one",FC(F)(F)c3cc(Cl)ccc3N=NC2C(\\C)=N/N(c1ccc(Cl)cc1)C2=O,FC(F)(F)c3cc(Cl)ccc3N=NC2C(\C)=N/N(c1ccc(Cl)cc1)C2=O,"InChI=1/C17H11Cl2F3N4O/c1-9-15(16(27)26(25-9)12-5-2-10(18)3-6-12)24-23-14-7-4-11(19)8-13(14)17(20,21)22/h2-8,15H,1H3",C17H11Cl2F3N4O,,,,,,XBOFPBRUOXECDR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.583,267-762-6,67923-46-0,"2,2'-[[4-[(2,6-dibromo-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethyl diacetate","({4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-3-methylphenyl}imino)diethane-2,1-diyl diacetate",Brc2cc(cc(Br)c2N=Nc1ccc(cc1C)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,Brc2cc(cc(Br)c2N=Nc1ccc(cc1C)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C21H22Br2N4O6/c1-13-10-16(26(6-8-32-14(2)28)7-9-33-15(3)29)4-5-20(13)24-25-21-18(22)11-17(27(30)31)12-19(21)23/h4-5,10-12H,6-9H2,1-3H3",C21H22Br2N4O6,,,,,,IICBEPFOXBFUSV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.585,267-764-7,67923-48-2,1-amino-4-hydroxy-2-[(2-hydroxyethyl)thio]anthraquinone,"1-amino-4-hydroxy-2-[(2-hydroxyethyl)sulfanyl]-9,10-anthraquinone",Nc1c(SCCO)cc(O)c2C(=O)c3ccccc3C(=O)c12,Nc1c(SCCO)cc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H13NO4S/c17-14-11(22-6-5-18)7-10(19)12-13(14)16(21)9-4-2-1-3-8(9)15(12)20/h1-4,7,18-19H,5-6,17H2",C16H13NO4S,,,,,,XFOUJPUTCADLAU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.586,267-765-2,67923-49-3,"Ethyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-(2-hydroxyethyl)-ß-alaninate","ethyl N-{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}-N-(2-hydroxyethyl)-beta-alaninate",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC(=O)OCC)CCO)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCC(=O)OCC)CCO)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C22H25BrN6O9/c1-4-38-21(32)5-6-27(7-8-30)18-11-16(24-13(2)31)17(12-20(18)37-3)25-26-22-15(23)9-14(28(33)34)10-19(22)29(35)36/h9-12,30H,4-8H2,1-3H3,(H,24,31)",C22H25BrN6O9,,,,,,BEHWLVCTBALQPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.588,267-767-3,67923-51-7,"3,5,5-trimethylhexyl nonan-1-oate","3,5,5-trimethylhexyl nonanoate",CCCCCCCCC(=O)OCCC(C)CC(C)(C)C,CCCCCCCCC(=O)OCCC(C)CC(C)(C)C,"InChI=1/C18H36O2/c1-6-7-8-9-10-11-12-17(19)20-14-13-16(2)15-18(3,4)5/h16H,6-15H2,1-5H3",C18H36O2,,,,,,HSAPRRNIACHOPX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.589,267-768-9,67923-53-9,"4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-ol","4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-ol",CC1CC(\\C)=C/C(C)C1C=CC(C)O,CC1CC(\C)=C/C(C)C1C=CC(C)O,"InChI=1/C13H22O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-7,10-14H,8H2,1-4H3",C13H22O,,,,,,WQTLBWPUJXRBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.592,267-772-0,67923-56-2,1-(decyloxy)decanol,1-(decyloxy)decan-1-ol,CCCCCCCCCCOC(O)CCCCCCCCC,CCCCCCCCCCOC(O)CCCCCCCCC,"InChI=1/C20H42O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3",C20H42O2,,,,,,AHTIKRKNSPTMBE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.594,267-774-1,67923-58-4,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl lactate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-hydroxypropanoate",CC(O)C(=O)OC1CC2CCC1(C)C2(C)C,CC(O)C(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C13H22O3/c1-8(14)11(15)16-10-7-9-5-6-13(10,4)12(9,2)3/h8-10,14H,5-7H2,1-4H3",C13H22O3,,,,,,PKKVIPFBICXMFP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.999,261-619-1,59130-69-7,Hexadecyl 2-ethylhexanoate,hexadecyl 2-ethylhexanoate,CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC,CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC,"InChI=1/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3",C24H48O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11691,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.999,XJNUECKWDBNFJV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.625,263-406-9,62105-07-1,5-(aminosulphonyl)-N-[[1-(2-hydroxyethyl)-2-pyrrolidinyl]methyl]-2-methoxybenzamide,N-{[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl}-2-methoxy-5-sulfamoylbenzamide,COc1ccc(cc1C(=O)NCC2CCCN2CCO)S(=O)(=O)N,COc1ccc(cc1C(=O)NCC2CCCN2CCO)S(=O)(=O)N,"InChI=1/C15H23N3O5S/c1-23-14-5-4-12(24(16,21)22)9-13(14)15(20)17-10-11-3-2-6-18(11)7-8-19/h4-5,9,11,19H,2-3,6-8,10H2,1H3,(H,17,20)(H2,16,21,22)",C15H23N3O5S,,,,,,XHLGUBRTGCPSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.809,262-510-1,60875-24-3,"2-(dibutylamino)-8-(diethylamino)-4-phenylspiro[5H-[1]benzopyrano[2,3-d]pyrimidine-5,1'(3'H)-isobenzofuran]-3'-one","2'-(dibutylamino)-8'-(diethylamino)-4'-phenyl-3H-spiro[2-benzofuran-1,5'-chromeno[2,3-d]pyrimidin]-3-one",CCCCN(CCCC)c1nc2Oc3cc(ccc3C4(OC(=O)c5ccccc45)c2c(n1)c6ccccc6)N(CC)CC,CCCCN(CCCC)c1nc2Oc3cc(ccc3C4(OC(=O)c5ccccc45)c2c(n1)c6ccccc6)N(CC)CC,"InChI=1/C36H40N4O3/c1-5-9-22-40(23-10-6-2)35-37-32(25-16-12-11-13-17-25)31-33(38-35)42-30-24-26(39(7-3)8-4)20-21-29(30)36(31)28-19-15-14-18-27(28)34(41)43-36/h11-21,24H,5-10,22-23H2,1-4H3",C36H40N4O3,,,,,,OKUPYKFUFQBNGM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.819,262-521-1,60902-45-6,Nonyltriphenylphosphonium bromide,nonyl(triphenyl)phosphonium bromide,[Br-].CCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C27H34P.BrH/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;/h8-16,18-23H,2-7,17,24H2,1H3;1H/q+1;/p-1",C27H34P.Br,,,,,,NJXRQGKTLWXMID-UHFFFAOYSA-M,,,,,,,,,,,
100.056.825,262-527-4,60932-58-3,1H-benzotriazolecarboxylic acid,1H-benzotriazole-4-carboxylic acid,OC(=O)c1cccc2[nH]nnc12,OC(=O)c1cccc2[nH]nnc12,"InChI=1/C7H5N3O2/c11-7(12)4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)",C7H5N3O2,,,,,,KFJDQPJLANOOOB-UHFFFAOYSA-N,Positive,ETS00107,[M+H]+,HCDscaled 80 (m/z=200) to 110 (m/z=120),90.0329:164.0452:118.0285,Eawag_Additional_Specs2,,,,,
100.056.833,262-536-3,60956-26-5,4-bromo-2-nitrotoluene,4-bromo-1-methyl-2-nitrobenzene,Cc1ccc(Br)cc1[N+](=O)[O-],Cc1ccc(Br)cc1[N+](=O)[O-],"InChI=1/C7H6BrNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3",C7H6BrNO2,,,,,,KZNXALJXBRSMFL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.568,251-241-5,32818-94-3,4-methylpentan-2-one tert-butylhydrazone,"1-tert-butyl-2-(1,3-dimethylbutylidene)hydrazine",CC(CC(C)C)=NNC(C)(C)C,CC(CC(C)C)=NNC(C)(C)C,"InChI=1/C10H22N2/c1-8(2)7-9(3)11-12-10(4,5)6/h8,12H,7H2,1-6H3",C10H22N2,,,,,,LUFLQNHYECGQNP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.571,251-244-1,32821-72-0,Tetrahydro-3-pentyl-2H-pyran-2-one,3-pentyltetrahydro-2H-pyran-2-one,CCCCCC1CCCOC1=O,CCCCCC1CCCOC1=O,"InChI=1/C10H18O2/c1-2-3-4-6-9-7-5-8-12-10(9)11/h9H,2-8H2,1H3",C10H18O2,,,,,,GYSLAGLXKCQGLV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.572,251-245-7,32828-81-2,"4-methoxy-N,N'-bis(3-pyridylmethyl)isophthaldiamide","4-methoxy-N,N'-bis(pyridin-3-ylmethyl)isophthalamide",COc1ccc(cc1C(=O)NCc2cccnc2)C(=O)NCc3cccnc3,COc1ccc(cc1C(=O)NCc2cccnc2)C(=O)NCc3cccnc3,"InChI=1/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)",C21H20N4O3,,,,,,KYWCWBXGRWWINE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.573,251-246-2,32829-81-5,"Tetrasodium 4,4'-bis[[p-[(p-sulphonatophenyl)azo]phenyl]azo]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc6ccc(/C=C/c5ccc(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4)cc5S([O-])(=O)=O)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc6ccc(/C=C/c5ccc(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4)cc5S([O-])(=O)=O)c(c6)S([O-])(=O)=O,"InChI=1/C38H28N8O12S4.4Na/c47-59(48,49)35-19-15-31(16-20-35)41-39-27-7-11-29(12-8-27)43-45-33-5-3-25(37(23-33)61(53,54)55)1-2-26-4-6-34(24-38(26)62(56,57)58)46-44-30-13-9-28(10-14-30)40-42-32-17-21-36(22-18-32)60(50,51)52;;;;/h1-24H,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4",C38H28N8O12S4.4Na,,,,,,NASIMPHPKIXGNK-FMRNPKMESA-J,,,,,,,,,,,
100.046.576,251-249-9,32835-25-9,3-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]benzoxazolium iodide,"3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4ccccc4oc3C=CC=C2[Se]c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4oc3C=CC=C2[Se]c1ccccc1N2CC,"InChI=1/C21H21N2OSe.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C21H21N2OSe.I,,,,,,XKZCMTRWRGTBAH-UHFFFAOYSA-M,,,,,,,,,,,
100.046.578,251-252-5,32835-32-8,3-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]benzothiazolium iodide,"3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4ccccc4sc3C=CC=C2[Se]c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4sc3C=CC=C2[Se]c1ccccc1N2CC,"InChI=1/C21H21N2SSe.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C21H21N2SSe.I,,,,,,XQBWIWSPKBQVAW-UHFFFAOYSA-M,,,,,,,,,,,
100.046.583,251-257-2,32846-21-2,Sodium 6-amino-5-[[2-[(cyclohexylmethylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-({2-[cyclohexyl(methyl)sulfamoyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].O=S(=O)(N(C)C1CCCCC1)c4ccccc4N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O,[Na+].O=S(=O)(N(C)C1CCCCC1)c4ccccc4N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O,"InChI=1/C23H26N4O6S2.Na/c1-27(16-7-3-2-4-8-16)34(29,30)21-10-6-5-9-19(21)25-26-23-18(24)12-11-15-13-17(35(31,32)33)14-20(28)22(15)23;/h5-6,9-14,16,28H,2-4,7-8,24H2,1H3,(H,31,32,33);/q;+1/p-1",C23H26N4O6S2.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10138,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.583,AIUGTYAOGJJSTN-UHFFFAOYSA-M,,,,,,,,,,,
100.046.593,251-268-2,32863-55-1,4-methyl-1-propylquinolinium iodide,4-methyl-1-propylquinolinium iodide,[I-].CCC[n+]1ccc(C)c2ccccc12,[I-].CCC[n+]1ccc(C)c2ccccc12,"InChI=1/C13H16N.HI/c1-3-9-14-10-8-11(2)12-6-4-5-7-13(12)14;/h4-8,10H,3,9H2,1-2H3;1H/q+1;/p-1",C13H16N.I,,,,,,ZMIVZHDLXLEFSE-UHFFFAOYSA-M,,,,,,,,,,,
100.059.597,265-575-4,65156-95-8,"9-isopropyl-1,5-dioxaspiro[5.5]undecane","9-isopropyl-1,5-dioxaspiro[5.5]undecane",CC(C)C1CCC2(CC1)OCCCO2,CC(C)C1CCC2(CC1)OCCCO2,"InChI=1/C12H22O2/c1-10(2)11-4-6-12(7-5-11)13-8-3-9-14-12/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,ZUHGTQKBVJUTBH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.611,265-591-1,65169-69-9,Bis[2-(dimethylamino)ethyl] adipate,bis[2-(dimethylamino)ethyl] adipate,CN(C)CCOC(=O)CCCCC(=O)OCCN(C)C,CN(C)CCOC(=O)CCCCC(=O)OCCN(C)C,"InChI=1/C14H28N2O4/c1-15(2)9-11-19-13(17)7-5-6-8-14(18)20-12-10-16(3)4/h5-12H2,1-4H3",C14H28N2O4,,,,,,LQIWJZRUBHDHFH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.618,265-599-5,65180-91-8,2-[(2-chloroethyl)sulphonyl]ethyl[2-[(2-chloroethyl)sulphonyl]ethyl]ammonium chloride,2-[(2-chloroethyl)sulfonyl]-N-{2-[(2-chloroethyl)sulfonyl]ethyl}ethanaminium chloride,[Cl-].ClCCS(=O)(=O)CC[NH2+]CCS(=O)(=O)CCCl,[Cl-].ClCCS(=O)(=O)CC[NH2+]CCS(=O)(=O)CCCl,"InChI=1/C8H17Cl2NO4S2.ClH/c9-1-5-16(12,13)7-3-11-4-8-17(14,15)6-2-10;/h11H,1-8H2;1H",C8H17Cl2NO4S2.ClH,,,,,,BYURROLIRSCGHO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.623,265-605-6,65186-10-9,2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl palmitate,2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCN(CCO)C(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCN(CCO)C(=O)CCCCCCCCCCCCCCC,"InChI=1/C36H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)37(31-33-38)32-34-41-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38H,3-34H2,1-2H3",C36H71NO4,,,,,,AZZDHTGSIWDSIK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.126,267-259-1,67828-36-8,4-(1-hydroxyethyl)resorcinol,"4-(1-hydroxyethyl)benzene-1,3-diol",CC(O)c1ccc(O)cc1O,CC(O)c1ccc(O)cc1O,"InChI=1/C8H10O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-5,9-11H,1H3",C8H10O3,,,,,,DUNRSBLUMXLQPE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.130,267-263-3,67828-41-5,"3,5-dichloro-4-ethoxytoluene","1,3-dichloro-2-ethoxy-5-methylbenzene",CCOc1c(Cl)cc(C)cc1Cl,CCOc1c(Cl)cc(C)cc1Cl,"InChI=1/C9H10Cl2O/c1-3-12-9-7(10)4-6(2)5-8(9)11/h4-5H,3H2,1-2H3",C9H10Cl2O,,,,,,RJPFGDAVUZZKMS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.131,267-264-9,67828-42-6,"Methyl 2,4-dihydroxyphenylacetate","methyl (2,4-dihydroxyphenyl)acetate",COC(=O)Cc1ccc(O)cc1O,COC(=O)Cc1ccc(O)cc1O,"InChI=1/C9H10O4/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5,10-11H,4H2,1H3",C9H10O4,,,,,,FSSXHUOFRDFPMF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.133,267-267-5,67828-44-8,5-chloro-4-hydroxysalicylic acid,"5-chloro-2,4-dihydroxybenzoic acid",OC(=O)c1cc(Cl)c(O)cc1O,OC(=O)c1cc(Cl)c(O)cc1O,"InChI=1/C7H5ClO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)",C7H5ClO4,,,,,,SAZOOWOGQNYJLS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.134,267-268-0,67828-45-9,"5-chloro-2,4-dihydroxybenzamide","5-chloro-2,4-dihydroxybenzamide",NC(=O)c1cc(Cl)c(O)cc1O,NC(=O)c1cc(Cl)c(O)cc1O,"InChI=1/C7H6ClNO3/c8-4-1-3(7(9)12)5(10)2-6(4)11/h1-2,10-11H,(H2,9,12)",C7H6ClNO3,,,,,,IKAFYOYUWZAUCI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.268,261-915-0,59756-57-9,1-phenyl-3-[3-(trifluoromethyl)phenyl]acetone,1-phenyl-3-[3-(trifluoromethyl)phenyl]acetone,FC(F)(F)c1cccc(CC(=O)Cc2ccccc2)c1,FC(F)(F)c1cccc(CC(=O)Cc2ccccc2)c1,"InChI=1/C16H13F3O/c17-16(18,19)14-8-4-7-13(9-14)11-15(20)10-12-5-2-1-3-6-12/h1-9H,10-11H2",C16H13F3O,,,,,,MHBVFQPMQKODRK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.270,261-917-1,59765-55-8,Allyl glycinate,allyl glycinate,NCC(=O)OCC=C,NCC(=O)OCC=C,"InChI=1/C5H9NO2/c1-2-3-8-5(7)4-6/h2H,1,3-4,6H2",C5H9NO2,,,,,,PNEADEFBQNPUOW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.276,261-923-4,59772-70-2,2-fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide,2-fluoro-N-{2-hydroxy-3-[methyl(phenyl)amino]propyl}benzamide,CN(CC(O)CNC(=O)c1ccccc1F)c2ccccc2,CN(CC(O)CNC(=O)c1ccccc1F)c2ccccc2,"InChI=1/C17H19FN2O2/c1-20(13-7-3-2-4-8-13)12-14(21)11-19-17(22)15-9-5-6-10-16(15)18/h2-10,14,21H,11-12H2,1H3,(H,19,22)",C17H19FN2O2,,,,,,UQRHIAUSRXRYMO-UHFFFAOYSA-N,,,,,,,,,,,
100.056.279,261-927-6,59776-90-8,Dupracetam,2-(2-oxopyrrolidin-1-yl)-N'-[(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide,O=C(CN1CCCC1=O)NNC(=O)CN2CCCC2=O,O=C(CN1CCCC1=O)NNC(=O)CN2CCCC2=O,"InChI=1/C12H18N4O4/c17-9(7-15-5-1-3-11(15)19)13-14-10(18)8-16-6-2-4-12(16)20/h1-8H2,(H,13,17)(H,14,18)",C12H18N4O4,,,,,,YPUPYVWSTBYCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.280,261-928-1,59778-15-3,"3-(2,3-dibromopropoxy)propane-1,2-diol","3-(2,3-dibromopropoxy)propane-1,2-diol",OCC(O)COCC(Br)CBr,OCC(O)COCC(Br)CBr,"InChI=1/C6H12Br2O3/c7-1-5(8)3-11-4-6(10)2-9/h5-6,9-10H,1-4H2",C6H12Br2O3,,,,,,OBVZGDWMAIVICC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.284,261-932-3,59798-73-1,Enilospirone,6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one,C[C@H]1OC2(CCCC[C@H]2Oc3cccc(Cl)c3)NC1=O,C[C@H]1OC2(CCCC[C@H]2Oc3cccc(Cl)c3)NC1=O,"InChI=1/C15H18ClNO3/c1-10-14(18)17-15(20-10)8-3-2-7-13(15)19-12-6-4-5-11(16)9-12/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18)",C15H18ClNO3,,,,,,PSHBCUHYCLAGPZ-BAOLWLNASA-N,,,,,,,,,,,
100.052.129,257-360-9,51728-14-4,"a,a-bis(p-hydroxyphenyl)-o-cresol",2-[bis(4-hydroxyphenyl)methyl]phenol,Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccc3O,Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccc3O,"InChI=1/C19H16O3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)22/h1-12,19-22H",C19H16O3,,,,,,QCBIZOJTQQOZOV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.131,257-363-5,51731-04-5,"Octadecanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1",-,,,,,,XYQFLAWRGBDQCI-UHFFFAOYSA-M,,,,,,,,,,,
100.052.132,257-364-0,51731-17-0,(E)-4-methoxy-3-buten-2-one,4-methoxybut-3-en-2-one,CO\\C=C\\C(=O)C,CO\C=C\C(=O)C,"InChI=1/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3",C5H8O2,,,,,,VLLHEPHWWIDUSS-ONEGZZNKSA-N,,,,,,,,,,,
100.052.133,257-365-6,51732-34-4,N-[3-(dipropylamino)phenyl]acetamide,N-[3-(dipropylamino)phenyl]acetamide,CCCN(CCC)c1cccc(NC(=O)C)c1,CCCN(CCC)c1cccc(NC(=O)C)c1,"InChI=1/C14H22N2O/c1-4-9-16(10-5-2)14-8-6-7-13(11-14)15-12(3)17/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,17)",C14H22N2O,,,,,,XGXZHDLFQSBZQU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.135,257-367-7,51740-66-0,"Card-20(22)-enolide, 3-[(O-2,6-dideoxy-3,4-di-O-methyl-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3ß,5ß,12ß)-","3-{[2,6-dideoxy-4-O-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide",COC1CC(OC2CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7CC(O)C(OC8CC(O)C(OC)C(C)O8)C(C)O7,COC1CC(OC2CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7CC(O)C(OC8CC(O)C(OC)C(C)O8)C(C)O7,"InChI=1/C43H68O14/c1-21-38(50-7)30(44)17-35(52-21)56-39-22(2)53-36(18-31(39)45)57-40-23(3)54-37(19-32(40)49-6)55-26-10-12-41(4)25(15-26)8-9-28-29(41)16-33(46)42(5)27(11-13-43(28,42)48)24-14-34(47)51-20-24/h14,21-23,25-33,35-40,44-46,48H,8-13,15-20H2,1-7H3",C43H68O14,,,,,,UWAXBYUBRNIUHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.143,257-376-6,51750-47-1,Isoundecan-1-ol,9-methyldecan-1-ol,CC(C)CCCCCCCCO,CC(C)CCCCCCCCO,"InChI=1/C11H24O/c1-11(2)9-7-5-3-4-6-8-10-12/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,JTKHUJNVHQWSAY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.147,257-380-8,51755-66-9,3-(methylthio)hexan-1-ol,3-(methylsulfanyl)hexan-1-ol,CCCC(CCO)SC,CCCC(CCO)SC,"InChI=1/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3",C7H16OS,,,,,,JSASXSHMJYRPCM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.149,257-382-9,51759-76-3,"L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(a-carboxyphenethyl)amino]carbonyl]glycyl-N-(a-formylphenethyl)-L-leucinamide, stereoisomer","N-[(1-carboxy-2-phenylethyl)carbamoyl]glycyl-2-(2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)-N~2~-(1-benzyl-2-oxoethyl)leucinamide",CC(C)CC(C1CCNC(=N1)N)(N(C(Cc2ccccc2)C=O)C(=O)CNC(=O)NC(Cc3ccccc3)C(=O)O)C(=O)N,CC(C)CC(C1CCNC(=N1)N)(N(C(Cc2ccccc2)C=O)C(=O)CNC(=O)NC(Cc3ccccc3)C(=O)O)C(=O)N,"InChI=1/C31H41N7O6/c1-20(2)17-31(28(32)43,25-13-14-34-29(33)37-25)38(23(19-39)15-21-9-5-3-6-10-21)26(40)18-35-30(44)36-24(27(41)42)16-22-11-7-4-8-12-22/h3-12,19-20,23-25H,13-18H2,1-2H3,(H2,32,43)(H,41,42)(H3,33,34,37)(H2,35,36,44)",C31H41N7O6,,,,,,CBJWBVHEULLOMM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.151,257-385-5,51759-78-5,"L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(a-carboxyphenethyl)amino]carbonyl]glycyl-N-(a-formylphenethyl)-L-isoleucinamide, stereoisomer","N-[(1-carboxy-2-phenylethyl)carbamoyl]glycyl-2-(2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)-N~2~-(1-benzyl-2-oxoethyl)isoleucinamide",CCC(C)C(C1CCNC(=N1)N)(N(C(Cc2ccccc2)C=O)C(=O)CNC(=O)NC(Cc3ccccc3)C(=O)O)C(=O)N,CCC(C)C(C1CCNC(=N1)N)(N(C(Cc2ccccc2)C=O)C(=O)CNC(=O)NC(Cc3ccccc3)C(=O)O)C(=O)N,"InChI=1/C31H41N7O6/c1-3-20(2)31(28(32)43,25-14-15-34-29(33)37-25)38(23(19-39)16-21-10-6-4-7-11-21)26(40)18-35-30(44)36-24(27(41)42)17-22-12-8-5-9-13-22/h4-13,19-20,23-25H,3,14-18H2,1-2H3,(H2,32,43)(H,41,42)(H3,33,34,37)(H2,35,36,44)",C31H41N7O6,,,,,,KBIWQUXOUIKVCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.152,257-386-0,51760-21-5,Dimethyl 5-bromoisophthalate,dimethyl 5-bromoisophthalate,COC(=O)c1cc(Br)cc(c1)C(=O)OC,COC(=O)c1cc(Br)cc(c1)C(=O)OC,"InChI=1/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3",C10H9BrO4,,,,,,QUJINGKSNJNXEB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.153,257-387-6,51760-35-1,"(Z)-dodeca-9,11-dienyl acetate","dodeca-9,11-dien-1-yl acetate",CC(=O)OCCCCCCCC\\C=C/C=C,CC(=O)OCCCCCCCC\C=C/C=C,"InChI=1/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-5H,1,6-13H2,2H3",C14H24O2,,,,,,ARPQLVHCERGNAB-PLNGDYQASA-N,,,,,,,,,,,
100.052.155,257-389-7,51761-72-9,Cyclopropylethan-1-one oxime,1-cyclopropylethanone oxime,CC(=NO)C1CC1,CC(=NO)C1CC1,"InChI=1/C5H9NO/c1-4(6-7)5-2-3-5/h5,7H,2-3H2,1H3",C5H9NO,,,,,,HTMLLPBZMWBCDN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.160,257-394-4,51762-90-4,9-oxo-9H-thioxanthene-3-carbonitrile,9-oxo-9H-thioxanthene-3-carbonitrile,O=C1c2ccccc2Sc3cc(ccc13)C#N,O=C1c2ccccc2Sc3cc(ccc13)C#N,InChI=1/C14H7NOS/c15-8-9-5-6-11-13(7-9)17-12-4-2-1-3-10(12)14(11)16/h1-7H,C14H7NOS,,,,,,PEKGWSOIIJWWKO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.629,263-411-6,62108-67-2,Isobutyl 2-chloropropionate,isobutyl 2-chloropropanoate,CC(C)COC(=O)C(C)Cl,CC(C)COC(=O)C(C)Cl,"InChI=1/C7H13ClO2/c1-5(2)4-10-7(9)6(3)8/h5-6H,4H2,1-3H3",C7H13ClO2,,,,,,AEEGJNJYJCGJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.655,263-439-9,62155-80-0,"N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphoanthracen-1-yl)amino]phenyl]-ß-alanine","N-{4-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]phenyl}-beta-alanine",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NCCC(=O)O)cc4)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NCCC(=O)O)cc4)cc1S(=O)(=O)O,"InChI=1/C23H19N3O7S/c24-21-17(34(31,32)33)11-16(26-13-7-5-12(6-8-13)25-10-9-18(27)28)19-20(21)23(30)15-4-2-1-3-14(15)22(19)29/h1-8,11,25-26H,9-10,24H2,(H,27,28)(H,31,32,33)",C23H19N3O7S,,,,,,KHQMJGFYBHFROY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.659,263-444-6,62163-53-5,"Diethyl sulphate, compound with N-methyl-N-[4-[(1-methyl-1H-1,2,4-triazol-5-yl)azo]phenyl]benzylamine (1:1)","diethyl sulfate - N-benzyl-N-methyl-4-[(1-methyl-1H-1,2,4-triazol-5-yl)diazenyl]aniline (1:1)",Cn3ncnc3N=Nc1ccc(cc1)N(C)Cc2ccccc2.O=S(=O)(OCC)OCC,Cn3ncnc3N=Nc1ccc(cc1)N(C)Cc2ccccc2.O=S(=O)(OCC)OCC,"InChI=1/C17H18N6.C4H10O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-21-17-18-13-19-23(17)2;1-3-7-9(5,6)8-4-2/h3-11,13H,12H2,1-2H3;3-4H2,1-2H3",C17H18N6.C2H6O4S,,,,,,DAQNKASEYOLCCH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.662,263-447-2,62174-79-2,Sodium 2-[(2-ethylhexyl)oxy]-1-[[(2-ethylhexyl)oxy]methyl]ethyl sulphate,sodium 2-[(2-ethylhexyl)oxy]-1-{[(2-ethylhexyl)oxy]methyl}ethyl sulfate,[Na+].CCCCC(CC)COCC(COCC(CC)CCCC)OS(=O)(=O)[O-],[Na+].CCCCC(CC)COCC(COCC(CC)CCCC)OS(=O)(=O)[O-],"InChI=1/C19H40O6S.Na/c1-5-9-11-17(7-3)13-23-15-19(25-26(20,21)22)16-24-14-18(8-4)12-10-6-2;/h17-19H,5-16H2,1-4H3,(H,20,21,22);/q;+1/p-1",C19H40O6S.Na,,,,,,FFCPFRIFLJGEEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.663,263-448-8,62184-82-1,"1,3-dimethylcyclopentene","1,3-dimethylcyclopentene",CC1CCC(=C1)C,CC1CCC(=C1)C,"InChI=1/C7H12/c1-6-3-4-7(2)5-6/h5-6H,3-4H2,1-2H3",C7H12,,,,,,QIIAONVJAUZQQR-UHFFFAOYSA-N,,,,,,,,,,,
100.058.174,264-011-4,63217-09-4,"15-methyl-3,6,9,12-tetraoxahexadecyl dihydrogen phosphate","15-methyl-3,6,9,12-tetraoxahexadec-1-yl dihydrogen phosphate",CC(C)CCOCCOCCOCCOCCOP(O)(=O)O,CC(C)CCOCCOCCOCCOCCOP(O)(=O)O,"InChI=1/C13H29O8P/c1-13(2)3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-22(14,15)16/h13H,3-12H2,1-2H3,(H2,14,15,16)",C13H29O8P,,,,,,CXWZTSQXXIMONI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.177,264-015-6,63217-12-9,"3,6,9,12-tetraoxaoctadecyl dihydrogen phosphate","3,6,9,12-tetraoxaoctadec-1-yl dihydrogen phosphate",OP(=O)(O)OCCOCCOCCOCCOCCCCCC,OP(=O)(O)OCCOCCOCCOCCOCCCCCC,"InChI=1/C14H31O8P/c1-2-3-4-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22-23(15,16)17/h2-14H2,1H3,(H2,15,16,17)",C14H31O8P,,,,,,ZCJFTNUEUAISRV-UHFFFAOYSA-N,,,,,,,,,,,
100.058.183,264-021-9,63217-25-4,"1-(4-chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene","1-(4-chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene",CCC(C)(C)c1ccc(OCCCCCl)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCCCl)c(c1)C(C)(C)CC,"InChI=1/C20H33ClO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14H2,1-6H3",C20H33ClO,,,,,,WQXDZIXHDZKOGO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.187,264-026-6,63217-32-3,4-(ethylamino)-2-methylbenzenediazonium hexafluoroarsenate,4-(ethylamino)-2-methylbenzenediazonium hexafluoroarsenate(1-),CCNc1ccc([N+]#N)c(C)c1.F[As-](F)(F)(F)(F)F,CCNc1ccc([N+]#N)c(C)c1.F[As-](F)(F)(F)(F)F,"InChI=1/C9H12N3.AsF6/c1-3-11-8-4-5-9(12-10)7(2)6-8;2-1(3,4,5,6)7/h4-6,11H,3H2,1-2H3;/q+1;-1",C9H12N3.AsF6,,,,,,QWLTXZPSHLRSTG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.188,264-027-1,63217-33-4,4-(diethylamino)-2-ethoxybenzenediazonium hexafluoroarsenate,4-(diethylamino)-2-ethoxybenzenediazonium hexafluoroarsenate(1-),CCOc1cc(ccc1[N+]#N)N(CC)CC.F[As-](F)(F)(F)(F)F,CCOc1cc(ccc1[N+]#N)N(CC)CC.F[As-](F)(F)(F)(F)F,"InChI=1/C12H18N3O.AsF6/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;2-1(3,4,5,6)7/h7-9H,4-6H2,1-3H3;/q+1;-1",C12H18N3O.AsF6,,,,,,OVPFHCCCMUDSMX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.190,264-029-2,63217-38-9,"6,7-bis[(phenylsulphonyl)oxy]naphthalene-2-sulphonamide","6-sulfamoylnaphthalene-2,3-diyl dibenzenesulfonate",NS(=O)(=O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c4ccccc4)cc2c1,NS(=O)(=O)c1ccc2cc(OS(=O)(=O)c3ccccc3)c(OS(=O)(=O)c4ccccc4)cc2c1,"InChI=1/C22H17NO8S3/c23-32(24,25)20-12-11-16-14-21(30-33(26,27)18-7-3-1-4-8-18)22(15-17(16)13-20)31-34(28,29)19-9-5-2-6-10-19/h1-15H,(H2,23,24,25)",C22H17NO8S3,,,,,,KVZQMLGVEQKEHF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.192,264-031-3,63217-46-9,"3-[[[2,4-bis(tert-pentyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide monohydrochloride","3-({[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl}amino)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide hydrochloride",Cl.CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c(c1)C(C)(C)CC,Cl.CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(=O)NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c(c1)C(C)(C)CC,"InChI=1/C34H37Cl3N4O4.ClH/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37;/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44);1H",C34H37Cl3N4O4.ClH,,,,,,WEJHFWWVWMMSQI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.611,251-288-1,32909-92-5,Sulfametrole,"4-amino-N-(4-methoxy-1,2,5-thiadiazol-3-yl)benzenesulfonamide",COc1nsnc1NS(=O)(=O)c2ccc(N)cc2,COc1nsnc1NS(=O)(=O)c2ccc(N)cc2,"InChI=1/C9H10N4O3S2/c1-16-9-8(11-17-12-9)13-18(14,15)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H,11,13)",C9H10N4O3S2,,,,,,IZOYMGQQVNAMHS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.543,257-816-7,52286-85-8,Disodium [ethylenebis(oxyethyleneoxy)]bispropanesulphonate,"disodium 4,7,10,13-tetraoxahexadecane-3,14-disulfonate",[Na+].[Na+].CCC(OCCOCCOCCOC(CC)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCC(OCCOCCOCCOC(CC)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C12H26O10S2.2Na/c1-3-11(23(13,14)15)21-9-7-19-5-6-20-8-10-22-12(4-2)24(16,17)18;;/h11-12H,3-10H2,1-2H3,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",C12H26O10S2.2Na,,,,,,CEARGZNKLXDGGB-UHFFFAOYSA-L,,,,,,,,,,,
100.052.548,257-821-4,52298-44-9,"4-amino-2,5-dimethoxy-N-phenylbenzenesulphonamide","4-amino-2,5-dimethoxy-N-phenylbenzenesulfonamide",COc1cc(c(OC)cc1N)S(=O)(=O)Nc2ccccc2,COc1cc(c(OC)cc1N)S(=O)(=O)Nc2ccccc2,"InChI=1/C14H16N2O4S/c1-19-12-9-14(13(20-2)8-11(12)15)21(17,18)16-10-6-4-3-5-7-10/h3-9,16H,15H2,1-2H3",C14H16N2O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5217,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.548,NFYQAEPHDGXJSY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.554,257-828-2,52301-88-9,2-chloro-4-nitrobenzyl alcohol,(2-chloro-4-nitrophenyl)methanol,OCc1ccc(cc1Cl)[N+](=O)[O-],OCc1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-3,10H,4H2",C7H6ClNO3,,,,,,XHIXVZHYFBOAJT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.558,257-832-4,52304-17-3,Isobutyl bis(hydroxymethyl)carbamate,isobutyl bis(hydroxymethyl)carbamate,CC(C)COC(=O)N(CO)CO,CC(C)COC(=O)N(CO)CO,"InChI=1/C7H15NO4/c1-6(2)3-12-7(11)8(4-9)5-10/h6,9-10H,3-5H2,1-2H3",C7H15NO4,,,,,,SINROXZVULQBQU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.561,257-836-6,52305-09-6,"2-(tetrapropenyl)succinic acid, monoester with propane-1,2-diol",2-[2-(2-hydroxy-1-methylethoxy)-2-oxoethyl]tetradecanoic acid,CCCCCCCCCCCCC(CC(=O)OC(C)CO)C(=O)O,CCCCCCCCCCCCC(CC(=O)OC(C)CO)C(=O)O,"InChI=1/C19H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-17(19(22)23)14-18(21)24-16(2)15-20/h16-17,20H,3-15H2,1-2H3,(H,22,23)",C19H34O5,,,,,,KOQHGSIOHVERTI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.564,257-839-2,52313-87-8,Dimethyl 3-methylpent-2-enedioate,dimethyl 3-methylpent-2-enedioate,CC(CC(=O)OC)=CC(=O)OC,CC(CC(=O)OC)=CC(=O)OC,"InChI=1/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3",C8H12O4,,,,,,GBQBEQOEGMZCOH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.566,257-841-3,52315-06-7,a-hydroxy-m-phenoxyphenylacetonitrile,hydroxy(3-phenoxyphenyl)acetonitrile,OC(C#N)c1cccc(Oc2ccccc2)c1,OC(C#N)c1cccc(Oc2ccccc2)c1,"InChI=1/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H",C14H11NO2,,,,,,GXUQMKBQDGPMKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.569,257-845-5,52315-76-1,L-lysine acetate,L-lysine acetate,CC(=O)O.NCCCC[C@H](N)C(=O)O,CC(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C6H14N2O2.C2H4O2/c7-4-2-1-3-5(8)6(9)10;1-2(3)4/h5H,1-4,7-8H2,(H,9,10);1H3,(H,3,4)",C6H14N2O2.xC2H4O2,,,,,,RRNJROHIFSLGRA-JEDNCBNOSA-N,,,,,,,,,,,
100.052.570,257-846-0,52317-07-4,2-hydroxypropyl 5-oxo-L-prolinate,2-hydroxypropyl 5-oxo-L-prolinate,CC(O)COC(=O)[C@@H]1CCC(=O)N1,CC(O)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H13NO4/c1-5(10)4-13-8(12)6-2-3-7(11)9-6/h5-6,10H,2-4H2,1H3,(H,9,11)",C8H13NO4,,,,,,CSLLYODGQWBRHX-GDVGLLTNSA-N,,,,,,,,,,,
100.052.571,257-847-6,52319-06-9,Methyl dodecylbenzenesulphonate,methyl 2-dodecylbenzenesulfonate,CCCCCCCCCCCCc1ccccc1S(=O)(=O)OC,CCCCCCCCCCCCc1ccccc1S(=O)(=O)OC,"InChI=1/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22-2/h13-14,16-17H,3-12,15H2,1-2H3",C19H32O3S,,,,,,AIXYHMWIAPSTQG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.574,257-850-2,52326-66-6,Dioctadecyl peroxydicarbonate,dioctadecyl ethanediperoxoate,CCCCCCCCCCCCCCCCCCOOC(=O)C(=O)OOCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOOC(=O)C(=O)OOCCCCCCCCCCCCCCCCCC,"InChI=1/C38H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-43-37(39)38(40)44-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C38H74O6,,,,,,KPTUAUSJTKZRRF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.579,257-856-5,52334-81-3,2-chloro-5-(trifluoromethyl)pyridine,2-chloro-5-(trifluoromethyl)pyridine,FC(F)(F)c1ccc(Cl)nc1,FC(F)(F)c1ccc(Cl)nc1,"InChI=1/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H",C6H3ClF3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5316,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.579,JFZJMSDDOOAOIV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.661,267-847-8,67939-65-5,"[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium acetate","N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CC(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CC(=O)[O-],"InChI=1/C25H30N3.C2H4O2/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;1-2(3)4/h7-18H,1-6H3;1H3,(H,3,4)/q+1;/p-1",C25H30N3.C2H3O2,,,,,,WJZAWAXCKDHVBC-UHFFFAOYSA-M,,,,,,,,,,,
100.061.667,267-854-6,67939-82-6,Gold octanethiolate,gold(1+) octane-1-thiolate,[Au+].CCCCCCCC[S-],[Au+].CCCCCCCC[S-],"InChI=1/C8H18S.Au/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;/q;+1/p-1",C8H18S.Au,,,,,,NXXPCKKHXAOGCX-UHFFFAOYSA-M,,,,,,,,,,,
100.056.289,261-938-6,59817-49-1,Tris[(2-methoxymethylethoxy)propyl] orthoborate,tris[2-(2-methoxypropoxy)propyl] borate,COC(C)COC(C)COB(OCC(C)OCC(C)OC)OCC(C)OCC(C)OC,COC(C)COC(C)COB(OCC(C)OCC(C)OC)OCC(C)OCC(C)OC,"InChI=1/C21H45BO9/c1-16(23-7)10-26-19(4)13-29-22(30-14-20(5)27-11-17(2)24-8)31-15-21(6)28-12-18(3)25-9/h16-21H,10-15H2,1-9H3",C21H45BO9,,,,,,KWSWSNSTXCTLPR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.291,261-940-7,59820-63-2,2-[3-(methylamino)-4-nitrophenoxy]ethanol,2-[3-(methylamino)-4-nitrophenoxy]ethanol,CNc1cc(OCCO)ccc1[N+](=O)[O-],CNc1cc(OCCO)ccc1[N+](=O)[O-],"InChI=1/C9H12N2O4/c1-10-8-6-7(15-5-4-12)2-3-9(8)11(13)14/h2-3,6,10,12H,4-5H2,1H3",C9H12N2O4,,,,,,IUTYXFLUCZMDMM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.292,261-941-2,59823-94-8,Europium(2+) acetate,europium(2+) diacetate,[Eu+2].CC(=O)[O-].CC(=O)[O-],[Eu+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Eu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Eu,,,,,,JABSKJKXYGWLSD-UHFFFAOYSA-L,,,,,,,,,,,
100.056.297,261-947-5,59831-64-0,Milenperone,"5-chloro-1-{3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl}-1,3-dihydro-2H-benzimidazol-2-one",Fc1ccc(cc1)C(=O)C2CCN(CCCN3C(=O)Nc4cc(Cl)ccc34)CC2,Fc1ccc(cc1)C(=O)C2CCN(CCCN3C(=O)Nc4cc(Cl)ccc34)CC2,"InChI=1/C22H23ClFN3O2/c23-17-4-7-20-19(14-17)25-22(29)27(20)11-1-10-26-12-8-16(9-13-26)21(28)15-2-5-18(24)6-3-15/h2-7,14,16H,1,8-13H2,(H,25,29)",C22H23ClFN3O2,,,,,,DBESQBZOXMCXPV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.310,261-961-1,59863-75-1,"2,2,4,4-tetrachloro-3-butenal","2,2,4,4-tetrachlorobut-3-enal",ClC(=CC(Cl)(Cl)C=O)Cl,ClC(=CC(Cl)(Cl)C=O)Cl,"InChI=1/C4H2Cl4O/c5-3(6)1-4(7,8)2-9/h1-2H",C4H2Cl4O,,,,,,FGVHWPSXFYOXKX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.311,261-962-7,59865-92-8,Vanadium trihydroxide,-,[OH-].[OH-].[OH-].[V+2],[OH-].[OH-].[OH-].[V+2],InChI=1/3H2O.V/h3*1H2;/q;;;+2/p-3,H3O3V,,,,,,HHFJNDVUVNWMFC-UHFFFAOYSA-K,,,,,,,,,,,
100.056.313,261-964-8,59866-71-6,N2-(1-oxohexadecyl)-L-lysine,N~2~-palmitoyl-L-lysine,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O,"InChI=1/C22H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-20(22(26)27)17-15-16-19-23/h20H,2-19,23H2,1H3,(H,24,25)(H,26,27)",C22H44N2O3,,,,,,OLDGKSQBWGEFNM-FQEVSTJZSA-N,,,,,,,,,,,
100.057.712,263-503-6,62314-25-4,(2-hydroxypropyl)trimethylammonium formate,"2-hydroxy-N,N,N-trimethylpropan-1-aminium formate",CC(O)C[N+](C)(C)C.[O-]C=O,CC(O)C[N+](C)(C)C.[O-]C=O,"InChI=1/C6H16NO.CH2O2/c1-6(8)5-7(2,3)4;2-1-3/h6,8H,5H2,1-4H3;1H,(H,2,3)/q+1;/p-1",C6H16NO.CHO2,,,,,,OTOLFQXGRCJFQN-UHFFFAOYSA-M,,,,,,,,,,,
100.057.720,263-512-5,62333-39-5,"Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate","triethyl 1-acetamidoheptane-1,1,7-tricarboxylate",CCOC(=O)CCCCCCC(NC(=O)C)(C(=O)OCC)C(=O)OCC,CCOC(=O)CCCCCCC(NC(=O)C)(C(=O)OCC)C(=O)OCC,"InChI=1/C18H31NO7/c1-5-24-15(21)12-10-8-9-11-13-18(19-14(4)20,16(22)25-6-2)17(23)26-7-3/h5-13H2,1-4H3,(H,19,20)",C18H31NO7,,,,,,GWLOQRTYICVFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.721,263-513-0,62334-12-7,"4-methylcyclohexane-1,2-dione 2-[(4-methoxyphenyl)hydrazone]",2-[(4-methoxyphenyl)hydrazono]-4-methylcyclohexanone,CC2CCC(=O)C(=NNc1ccc(OC)cc1)C2,CC2CCC(=O)C(=NNc1ccc(OC)cc1)C2,"InChI=1/C14H18N2O2/c1-10-3-8-14(17)13(9-10)16-15-11-4-6-12(18-2)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3",C14H18N2O2,,,,,,OCMNERIMZFMHEM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.722,263-514-6,62334-13-8,"2,3,4,9-tetrahydro-6-methoxy-4-methyl-1H-carbazol-1-one","6-methoxy-4-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one",COc1ccc2[nH]c3C(=O)CCC(C)c3c2c1,COc1ccc2[nH]c3C(=O)CCC(C)c3c2c1,"InChI=1/C14H15NO2/c1-8-3-6-12(16)14-13(8)10-7-9(17-2)4-5-11(10)15-14/h4-5,7-8,15H,3,6H2,1-2H3",C14H15NO2,,,,,,PJNGBIPCXWVPLG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.725,263-517-2,62346-00-3,"5-(acetylamino)-4-hydroxy-3-[(3-phosphonophenyl)azo]naphthalene-2,7-disulphonic acid","5-acetamido-4-hydroxy-3-[(3-phosphonophenyl)diazenyl]naphthalene-2,7-disulfonic acid",OP(O)(=O)c1cccc(c1)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S(O)(=O)=O)S(O)(=O)=O,OP(O)(=O)c1cccc(c1)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H16N3O11PS2/c1-9(22)19-14-8-13(34(27,28)29)5-10-6-15(35(30,31)32)17(18(23)16(10)14)21-20-11-3-2-4-12(7-11)33(24,25)26/h2-8,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29)(H,30,31,32)",C18H16N3O11PS2,,,,,,RXJPLRCBOFBATC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.726,263-518-8,62346-96-7,"2,4-dimethylbenzyl acetate","2,4-dimethylbenzyl acetate",CC(=O)OCc1ccc(C)cc1C,CC(=O)OCc1ccc(C)cc1C,"InChI=1/C11H14O2/c1-8-4-5-11(9(2)6-8)7-13-10(3)12/h4-6H,7H2,1-3H3",C11H14O2,,,,,,IRJIWPLWQGRUAY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.733,263-526-1,62365-35-9,1-(dimethylpropylsilyl)-1H-imidazole,1-[dimethyl(propyl)silyl]-1H-imidazole,CCC[Si](C)(C)n1ccnc1,CCC[Si](C)(C)n1ccnc1,"InChI=1/C8H16N2Si/c1-4-7-11(2,3)10-6-5-9-8-10/h5-6,8H,4,7H2,1-3H3",C8H16N2Si,,,,,,RAHYGTYWWIHSIG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.746,263-540-8,62435-72-7,"Methyl 2,5-dihydro-2,5-dimethoxyfuran-2-carboxylate","methyl 2,5-dimethoxy-2,5-dihydrofuran-2-carboxylate",COC1OC(OC)(C=C1)C(=O)OC,COC1OC(OC)(C=C1)C(=O)OC,"InChI=1/C8H12O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h4-6H,1-3H3",C8H12O5,,,,,,GHVXSSBZJZUDSO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.748,263-542-9,62439-33-2,p-cyanophenyl trans-4-propylcyclohexanecarboxylate,4-cyanophenyl 4-propylcyclohexanecarboxylate,CCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(cc2)C#N,CCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(cc2)C#N,"InChI=1/C17H21NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3",C17H21NO2,,,,,,LXVTVIQMKOLVSY-CTYIDZIISA-N,,,,,,,,,,,
100.052.161,257-396-5,51762-94-8,"9-oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide","9-oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide",O=C1c2ccccc2S(=O)(=O)c3cc(ccc13)C#N,O=C1c2ccccc2S(=O)(=O)c3cc(ccc13)C#N,"InChI=1/C14H7NO3S/c15-8-9-5-6-11-13(7-9)19(17,18)12-4-2-1-3-10(12)14(11)16/h1-7H",C14H7NO3S,,,,,,KFTPXAFBDZWJNK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.163,257-398-6,51764-33-1,"Bis[1-deoxy-1-(methylamino)-D-glucitol] 3,3'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)diimino]bis[2,4,6-triiodobenzoate]","3,3'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)diimino]bis(2,4,6-triiodobenzoic acid) - 1-deoxy-1-(methylamino)-D-glucitol (1:2)",CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1c(I)cc(I)c(NC(=O)CCOCCOCCOCCOCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1c(I)cc(I)c(NC(=O)CCOCCOCCOCCOCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,"InChI=1/C26H26I6N2O10.2C7H17NO5/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40);2*4-13H,2-3H2,1H3",C26H26I6N2O10.2C7H17NO5,,,,,,LNBGFESBSAEKAE-VRWDCWMNSA-N,,,,,,,,,,,
100.052.167,257-402-6,51769-11-0,"Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate","ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate",CCOC(=O)C1C(=CC(O)CC1(C)C)C,CCOC(=O)C1C(=CC(O)CC1(C)C)C,"InChI=1/C12H20O3/c1-5-15-11(14)10-8(2)6-9(13)7-12(10,3)4/h6,9-10,13H,5,7H2,1-4H3",C12H20O3,,,,,,VBHJRLVIPZBBRT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.040,255-062-3,40754-59-4,Disodium 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] 2-sulphonatosuccinate,"disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate",[Na+].[Na+].CCCCCCCCCCCCOCCOCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCOCCOCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C22H42O10S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-29-13-14-30-15-16-31-17-18-32-21(23)19-20(22(24)25)33(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2",C22H42O10S.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18989,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.040,DCDGWRWCFLIAOL-UHFFFAOYSA-L,,,,,,,,,,,
100.050.041,255-063-9,40760-35-8,"3-methylenepentane-1,5-diol","3-methylenepentane-1,5-diol",OCCC(=C)CCO,OCCC(=C)CCO,"InChI=1/C6H12O2/c1-6(2-4-7)3-5-8/h7-8H,1-5H2",C6H12O2,,,,,,JUJHZOVDCJJUJK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.044,255-067-0,40763-98-2,2-amino-5-(4-aminophenoxy)benzamide,2-amino-5-(4-aminophenoxy)benzamide,NC(=O)c1cc(Oc2ccc(N)cc2)ccc1N,NC(=O)c1cc(Oc2ccc(N)cc2)ccc1N,"InChI=1/C13H13N3O2/c14-8-1-3-9(4-2-8)18-10-5-6-12(15)11(7-10)13(16)17/h1-7H,14-15H2,(H2,16,17)",C13H13N3O2,,,,,,BYSLVGKEWPEEPI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.046,255-069-1,40768-19-2,Tetramethylammonium phosphate (1:1),-,C[N+](C)(C)C.[O-]P(=O)([O-])[O-],C[N+](C)(C)C.[O-]P(=O)([O-])[O-],"InChI=1/C4H12N.H3O4P/c2*1-5(2,3)4/h1-4H3;(H3,1,2,3,4)/q+1;/p-3",C4H12N.H2O4P,,,,,,WOERBKLLTSWFBY-UHFFFAOYSA-K,,,,,,,,,,,
100.050.049,255-072-8,40775-78-8,"5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidin-7-ol","5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol",CSc1nc2nc(C)cc(O)n2n1,CSc1nc2nc(C)cc(O)n2n1,"InChI=1/C7H8N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3,12H,1-2H3",C7H8N4OS,,,,,,ATSUZWSBVKDCRP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.053,255-077-5,40782-54-5,4-heptyloxybenzoyl chloride,4-(heptyloxy)benzoyl chloride,CCCCCCCOc1ccc(cc1)C(=O)Cl,CCCCCCCOc1ccc(cc1)C(=O)Cl,"InChI=1/C14H19ClO2/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3",C14H19ClO2,,,,,,OTHIDQZVUQAMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.057,255-081-7,40786-25-2,"1-tert-butyl-2-(2,3-epoxypropoxy)benzene",2-[(2-tert-butylphenoxy)methyl]oxirane,CC(C)(C)c1ccccc1OCC2CO2,CC(C)(C)c1ccccc1OCC2CO2,"InChI=1/C13H18O2/c1-13(2,3)11-6-4-5-7-12(11)15-9-10-8-14-10/h4-7,10H,8-9H2,1-3H3",C13H18O2,,,,,,UZYFEQIMORYGRW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.061,255-085-9,40796-29-0,Sodium 5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetate,sodium {5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetate,[Na+].CS(=O)c1ccc(cc1)C=C3c2ccc(F)cc2C(\\CC([O-])=O)=C3\\C,[Na+].CS(=O)c1ccc(cc1)C=C3c2ccc(F)cc2C(\CC([O-])=O)=C3\C,"InChI=1/C20H17FO3S.Na/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23;/h3-10H,11H2,1-2H3,(H,22,23);/q;+1/p-1",C20H17FO3S.Na,,,,,,YMXUJDLCLXHYBO-UHFFFAOYSA-M,,,,,,,,,,,
100.050.063,255-088-5,40800-76-8,Ethyl 2-(methylthio)propionate,ethyl 2-(methylsulfanyl)propanoate,CCOC(=O)C(C)SC,CCOC(=O)C(C)SC,"InChI=1/C6H12O2S/c1-4-8-6(7)5(2)9-3/h5H,4H2,1-3H3",C6H12O2S,,,,,,OXAOBBCFHBVRBD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.064,255-089-0,40807-61-2,4-phenylpiperidin-4-ol,4-phenylpiperidin-4-ol,OC1(CCNCC1)c2ccccc2,OC1(CCNCC1)c2ccccc2,"InChI=1/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2",C11H15NO,,,,,,KQKFQBTWXOGINC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.065,255-090-6,40811-49-2,2-[(1-methylethyl)thio]ethanol,2-(isopropylsulfanyl)ethanol,CC(C)SCCO,CC(C)SCCO,"InChI=1/C5H12OS/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3",C5H12OS,,,,,,QGONIKZRWOOHBB-UHFFFAOYSA-N,,,,,,,,,,,
100.058.195,264-035-5,63224-80-6,"N-[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]-4,4-dimethyl-3-oxovaleramide","N-[2-(hexadecyloxy)-5-(methylsulfamoyl)phenyl]-4,4-dimethyl-3-oxopentanamide",CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)CC(=O)C(C)(C)C)S(=O)(=O)NC,CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)CC(=O)C(C)(C)C)S(=O)(=O)NC,"InChI=1/C30H52N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37-27-21-20-25(38(35,36)31-5)23-26(27)32-29(34)24-28(33)30(2,3)4/h20-21,23,31H,6-19,22,24H2,1-5H3,(H,32,34)",C30H52N2O5S,,,,,,CCXDKYUOXACLTK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.201,264-041-8,63245-28-3,Etifenin,"2,2'-({2-[(2,6-diethylphenyl)amino]-2-oxoethyl}imino)diacetic acid",CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O,CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O,"InChI=1/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)",C16H22N2O5,,,,,,WNIDXAKKFOKNEF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.203,264-043-9,63250-25-9,"1-[4-(1-methylethyl)phenyl]-3-phenylpropane-1,3-dione","1-(4-isopropylphenyl)-3-phenylpropane-1,3-dione",CC(C)c1ccc(cc1)C(=O)CC(=O)c2ccccc2,CC(C)c1ccc(cc1)C(=O)CC(=O)c2ccccc2,"InChI=1/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3",C18H18O2,,,,,,LALVCWMSKLEQMK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.207,264-048-6,63251-41-2,3-[[4-[(2-hydroxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulphonic acid,3-({4-[(2-hydroxy-5-methylphenyl)diazenyl]-1-naphthyl}diazenyl)benzenesulfonic acid,Oc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S(O)(=O)=O)c2ccccc23,Oc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S(O)(=O)=O)c2ccccc23,"InChI=1/C23H18N4O4S/c1-15-9-12-23(28)22(13-15)27-26-21-11-10-20(18-7-2-3-8-19(18)21)25-24-16-5-4-6-17(14-16)32(29,30)31/h2-14,28H,1H3,(H,29,30,31)",C23H18N4O4S,,,,,,YZPDBHYMZMUJHD-UHFFFAOYSA-N,,,,,,,,,,,
100.058.209,264-050-7,63251-44-5,2-(p-acetoxy-m-isobutylphenoxy)myristic acid,2-(4-acetoxy-3-isobutylphenoxy)tetradecanoic acid,CCCCCCCCCCCCC(Oc1ccc(OC(=O)C)c(CC(C)C)c1)C(=O)O,CCCCCCCCCCCCC(Oc1ccc(OC(=O)C)c(CC(C)C)c1)C(=O)O,"InChI=1/C26H42O5/c1-5-6-7-8-9-10-11-12-13-14-15-25(26(28)29)31-23-16-17-24(30-21(4)27)22(19-23)18-20(2)3/h16-17,19-20,25H,5-15,18H2,1-4H3,(H,28,29)",C26H42O5,,,,,,LMGNFMQANDKMEB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.554,265-528-8,65151-24-8,2-chloro-N-ethyl-N-(m-tolyl)benzylamine,N-(2-chlorobenzyl)-N-ethyl-3-methylaniline,CCN(Cc1ccccc1Cl)c2cccc(C)c2,CCN(Cc1ccccc1Cl)c2cccc(C)c2,"InChI=1/C16H18ClN/c1-3-18(15-9-6-7-13(2)11-15)12-14-8-4-5-10-16(14)17/h4-11H,3,12H2,1-2H3",C16H18ClN,,,,,,QJVZEZUKVBECII-UHFFFAOYSA-N,,,,,,,,,,,
100.059.556,265-530-9,65151-27-1,"3-[(4-amino-2-methoxy-5-methylphenyl)azo]naphthalene-1,5-disulphonic acid","3-[(4-amino-2-methoxy-5-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid",COc3cc(N)c(C)cc3N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O,COc3cc(N)c(C)cc3N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H17N3O7S2/c1-10-6-15(16(28-2)9-14(10)19)21-20-11-7-13-12(18(8-11)30(25,26)27)4-3-5-17(13)29(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)",C18H17N3O7S2,,,,,,GOYZRNVYLJNOGB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.558,265-533-5,65151-33-9,"Tetrasodium 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxynaphthalene-2,7-disulphonate]","tetrasodium 4,4'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-hydroxynaphthalene-2,7-disulfonate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cc(c(O)c6N=Nc2ccc(cc2OC)c5ccc(N=Nc3c4ccc(cc4cc(c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cc(c(O)c6N=Nc2ccc(cc2OC)c5ccc(N=Nc3c4ccc(cc4cc(c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c5)S([O-])(=O)=O,"InChI=1/C34H26N4O16S4.4Na/c1-53-27-13-17(3-9-25(27)35-37-31-23-7-5-21(55(41,42)43)11-19(23)15-29(33(31)39)57(47,48)49)18-4-10-26(28(14-18)54-2)36-38-32-24-8-6-22(56(44,45)46)12-20(24)16-30(34(32)40)58(50,51)52;;;;/h3-16,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4",C34H26N4O16S4.4Na,,,,,,OZTABCQEHOKPKS-UHFFFAOYSA-J,,,,,,,,,,,
100.059.563,265-538-2,65151-49-7,Cyclohexyldiethylammonium hexadecyl sulphate,"N,N-diethylcyclohexanaminium hexadecyl sulfate",CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1,"InChI=1/C16H34O4S.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-11(4-2)10-8-6-5-7-9-10/h2-16H2,1H3,(H,17,18,19);10H,3-9H2,1-2H3",C16H34O4S.C10H21N,,,,,,BPPOEFRYEQSTKL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.569,265-545-0,65151-66-8,"2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl]-1,3-dimethyl-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate","1,3-dimethyl-2-[2-(2-methyl-5-oxo-3-phenyl-2,5-dihydroisoxazol-4-yl)vinyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium 4-methylbenzenesulfonate",CN1OC(=O)C(=C1c2ccccc2)\\C=C\\C3N(C)c4nc5ccccc5nc4[NH+]3C.Cc6ccc(cc6)S(=O)(=O)[O-],CN1OC(=O)C(=C1c2ccccc2)\C=C\C3N(C)c4nc5ccccc5nc4[NH+]3C.Cc6ccc(cc6)S(=O)(=O)[O-],"InChI=1/C23H21N5O2.C7H8O3S/c1-26-19(27(2)22-21(26)24-17-11-7-8-12-18(17)25-22)14-13-16-20(28(3)30-23(16)29)15-9-5-4-6-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-14,19H,1-3H3;2-5H,1H3,(H,8,9,10)",C23H20N5O2.C7H7O3S,,,,,,XBOCSACLCBAIDF-IERUDJENSA-N,,,,,,,,,,,
100.059.572,265-548-7,65151-74-8,10-(sulphooxy)octadecanoic acid,10-(sulfooxy)octadecanoic acid,CCCCCCCCC(CCCCCCCCC(=O)O)OS(=O)(=O)O,CCCCCCCCC(CCCCCCCCC(=O)O)OS(=O)(=O)O,"InChI=1/C18H36O6S/c1-2-3-4-5-8-11-14-17(24-25(21,22)23)15-12-9-6-7-10-13-16-18(19)20/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23)",C18H36O6S,,,,,,UTCQDHSSQWLJPP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.674,267-861-4,67939-89-3,"2-[ethyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulphonyl]amino]ethyl dihydrogen phosphate",2-{ethyl[(nonafluorobutyl)sulfonyl]amino}ethyl dihydrogen phosphate,OP(O)(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(O)(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H11F9NO6PS/c1-2-18(3-4-24-25(19,20)21)26(22,23)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-4H2,1H3,(H2,19,20,21)",C8H11F9NO6PS,,,,,,QYPFYWKDTABJCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.676,267-864-0,67939-91-7,Bis[2-[ethyl(nonafluorobutanesulphonyl)amino]ethyl] hydrogen phosphate,bis(2-{ethyl[(nonafluorobutyl)sulfonyl]amino}ethyl) hydrogen phosphate,CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H19F18N2O8PS2/c1-3-35(46(39,40)15(31,32)11(21,22)9(17,18)13(25,26)27)5-7-43-45(37,38)44-8-6-36(4-2)47(41,42)16(33,34)12(23,24)10(19,20)14(28,29)30/h3-8H2,1-2H3,(H,37,38)",C16H19F18N2O8PS2,,,,,,UNHYIZUGCWLZHI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.679,267-867-7,67939-94-0,"N,N',N''-[phosphoryltris(oxyethylene)]tris[N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide]",tris(2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl) phosphate,CCN(CCOP(=O)(OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOP(=O)(OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C33H27F45N3O10PS3/c1-4-79(93(83,84)31(73,74)25(58,59)19(46,47)13(34,35)16(40,41)22(52,53)28(64,65)66)7-10-89-92(82,90-11-8-80(5-2)94(85,86)32(75,76)26(60,61)20(48,49)14(36,37)17(42,43)23(54,55)29(67,68)69)91-12-9-81(6-3)95(87,88)33(77,78)27(62,63)21(50,51)15(38,39)18(44,45)24(56,57)30(70,71)72/h4-12H2,1-3H3",C33H27F45N3O10PS3,,,,,,DPBVCOWHHLIHJN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.681,267-869-8,67939-96-2,2-[methyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl methacrylate,2-{methyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl methacrylate,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H12F15NO4S/c1-6(2)7(31)34-5-4-30(3)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h1,4-5H2,2-3H3",C14H12F15NO4S,,,,,,RZDRSPQHQWHCKI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.682,267-870-3,67939-97-3,Ammonium bis[2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl] phosphate,ammonium bis(2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl) phosphate,[NH4+].CCN(CCOP(=O)([O-])OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].CCN(CCOP(=O)([O-])OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C22H19F30N2O8PS2.H3N/c1-3-53(64(57,58)21(49,50)17(39,40)13(31,32)9(23,24)11(27,28)15(35,36)19(43,44)45)5-7-61-63(55,56)62-8-6-54(4-2)65(59,60)22(51,52)18(41,42)14(33,34)10(25,26)12(29,30)16(37,38)20(46,47)48;/h3-8H2,1-2H3,(H,55,56);1H3",C22H19F30N2O8PS2.H3N,,,,,,ULMQTDIUFJYOLD-UHFFFAOYSA-N,,,,,,,,,,,
100.061.690,267-879-2,67952-25-4,Methyl 4-oxo-2-thioxothiazolidine-3-carboxylate,"methyl 4-oxo-2-thioxo-1,3-thiazolidine-3-carboxylate",COC(=O)N1C(=O)CSC1=S,COC(=O)N1C(=O)CSC1=S,"InChI=1/C5H5NO3S2/c1-9-4(8)6-3(7)2-11-5(6)10/h2H2,1H3",C5H5NO3S2,,,,,,QMVFFYYZJNQAHP-UHFFFAOYSA-N,,,,,,,,,,,
100.061.691,267-880-8,67952-27-6,4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzenediazonium tetrafluoroborate,4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzenediazonium tetrafluoroborate,CCN(CCO)c1ccc([N+]#N)c(C)c1.F[B-](F)(F)F,CCN(CCO)c1ccc([N+]#N)c(C)c1.F[B-](F)(F)F,"InChI=1/C11H16N3O.BF4/c1-3-14(6-7-15)10-4-5-11(13-12)9(2)8-10;2-1(3,4)5/h4-5,8,15H,3,6-7H2,1-2H3;/q+1;-1",C11H16N3O.BF4,,,,,,RCFDYEUNBQWALI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.382,265-340-6,65059-63-4,Benzylbis(2-hydroxypropyl)octadecadienylammonium chloride,"N-benzyl-N,N-bis(2-hydroxypropyl)octadeca-1,3-dien-1-aminium chloride",[Cl-].CC(O)C[N+](CC(C)O)(Cc1ccccc1)C=CC=CCCCCCCCCCCCCCC,[Cl-].CC(O)C[N+](CC(C)O)(Cc1ccccc1)C=CC=CCCCCCCCCCCCCCC,"InChI=1/C31H54NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h17-25,29-30,33-34H,4-16,26-28H2,1-3H3;1H/q+1;/p-1",C31H54NO2.Cl,,,,,,CGKBBLKWUMIWDW-UHFFFAOYSA-M,,,,,,,,,,,
100.059.409,265-369-4,65072-40-4,Sodium 2-(4-aminophenyl)-5-methylbenzothiazole-7-sulphonate,"sodium 2-(4-aminophenyl)-5-methyl-1,3-benzothiazole-7-sulfonate",[Na+].Cc1cc(c2sc(nc2c1)c3ccc(N)cc3)S(=O)(=O)[O-],[Na+].Cc1cc(c2sc(nc2c1)c3ccc(N)cc3)S(=O)(=O)[O-],"InChI=1/C14H12N2O3S2.Na/c1-8-6-11-13(12(7-8)21(17,18)19)20-14(16-11)9-2-4-10(15)5-3-9;/h2-7H,15H2,1H3,(H,17,18,19);/q;+1/p-1",C14H12N2O3S2.Na,,,,,,BRWRYBIQAAMPGN-UHFFFAOYSA-M,,,,,,,,,,,
100.059.884,265-891-2,65717-13-7,"Potassium 1,2,3,6-tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylate","potassium 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",[K+].[O-]C(=O)C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],[K+].[O-]C(=O)C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],"InChI=1/C5H3N3O6.K/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3;/h(H,10,11)(H2,6,7,9,12);/q;+1/p-1",C5H3N3O6.K,,,,,,VLUWZLLGDFXCTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.059.894,265-903-6,65738-46-7,(2-methoxy-1-methylethyl)benzene,(2-methoxy-1-methylethyl)benzene,COCC(C)c1ccccc1,COCC(C)c1ccccc1,"InChI=1/C10H14O/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",C10H14O,,,,,,JSLADQCPHDFYDG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.376,265-333-8,65059-43-0,Trimethyltetradecylammonium methyl sulphate,"N,N,N-trimethyltetradecan-1-aminium methyl sulfate",CCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C17H38N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4/h5-17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C17H38N.CH3O4S,,,,,,VXBSKVAMQMBCCA-UHFFFAOYSA-M,,,,,,,,,,,
100.053.104,258-433-8,53219-90-2,"Pentane-1,5-diyl bis(3-bromopropionate)","pentane-1,5-diyl bis(3-bromopropanoate)",BrCCC(=O)OCCCCCOC(=O)CCBr,BrCCC(=O)OCCCCCOC(=O)CCBr,InChI=1/C11H18Br2O4/c12-6-4-10(14)16-8-2-1-3-9-17-11(15)5-7-13/h1-9H2,C11H18Br2O4,,,,,,XFUTVHAXMLALRL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.106,258-435-9,53220-21-6,Ditridecyl peroxydicarbonate,"1,1'-[dioxybis(carbonyloxy)]ditridecane",CCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCC,"InChI=1/C28H54O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-27(29)33-34-28(30)32-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C28H54O6,,,,,,TUXIOAHIBIEZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.108,258-438-5,53222-92-7,2-amino-o-cresol,"6-amino-6-methylcyclohexa-2,4-dien-1-ol",CC1(N)C=CC=CC1O,CC1(N)C=CC=CC1O,"InChI=1/C7H11NO/c1-7(8)5-3-2-4-6(7)9/h2-6,9H,8H2,1H3",C7H9NO,,,,,,OFYZSXCCMHLAMU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.109,258-439-0,53225-40-4,"trans-3,4-dimethylcyclopentene","3,4-dimethylcyclopentene",C[C@H]1CC=C[C@@H]1C,C[C@H]1CC=C[C@@H]1C,"InChI=1/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3",C7H12,,,,,,JOVGLRSLWFSVNB-BQBZGAKWSA-N,,,,,,,,,,,
100.053.115,258-445-3,53242-88-9,4-[(4-chlorophenyl)methyl]phthalazin-1(2H)-one,4-(4-chlorobenzyl)phthalazin-1(2H)-one,Clc1ccc(CC2=NNC(=O)c3ccccc23)cc1,Clc1ccc(CC2=NNC(=O)c3ccccc23)cc1,"InChI=1/C15H11ClN2O/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(19)18-17-14/h1-8H,9H2,(H,18,19)",C15H11ClN2O,,,,,,NLXGCQIEVZYDRS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.116,258-446-9,53243-59-7,(Z)-3-methyl-5-phenylpent-2-enenitrile,3-methyl-5-phenylpent-2-enenitrile,C\\C(=C\\C#N)\\CCc1ccccc1,C\C(=C\C#N)\CCc1ccccc1,"InChI=1/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3",C12H13N,,,,,,QELCXXZZKSRBET-LUAWRHEFSA-N,,,,,,,,,,,
100.053.119,258-450-0,53251-94-8,Pinaverium bromide,"4-(2-bromo-4,5-dimethoxybenzyl)-4-{2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl}morpholin-4-ium bromide",[Br-].COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC,[Br-].COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC,"InChI=1/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1",C26H41BrNO4.Br,,,,,,IKGXLCMLVINENI-UHFFFAOYSA-M,,,,,,,,,,,
100.053.120,258-451-6,53263-58-4,5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one,5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one,CCC1CC(=C(O)C1=O)C,CCC1CC(=C(O)C1=O)C,"InChI=1/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h6,9H,3-4H2,1-2H3",C8H12O2,,,,,,ARHWUYVUNJLMRR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.123,258-454-2,53270-74-9,"6-O-(2,3,4,6-tetra-O-acetyl-ß-D-glucopyranosyl)-D-glucose 2,3,4,5-tetraacetate","2,3,4,5-tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-D-glucose",CC(=O)OC[C@H]1O[C@@H](OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@@H](OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C28H38O19/c1-12(30)38-10-22-25(44-17(6)35)26(45-18(7)36)27(46-19(8)37)28(47-22)39-11-21(41-14(3)32)24(43-16(5)34)23(42-15(4)33)20(9-29)40-13(2)31/h9,20-28H,10-11H2,1-8H3",C28H38O19,,,,,,NGOPFJZOLWDVPH-KHVMGGNZSA-N,,,,,,,,,,,
100.048.875,253-781-7,38103-06-9,"4,4'-[(isopropylidene)bis(p-phenyleneoxy)]diphthalic dianhydride","5,5'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(2-benzofuran-1,3-dione)",CC(C)(c1ccc(Oc2ccc3C(=O)OC(=O)c3c2)cc1)c4ccc(Oc5ccc6C(=O)OC(=O)c6c5)cc4,CC(C)(c1ccc(Oc2ccc3C(=O)OC(=O)c3c2)cc1)c4ccc(Oc5ccc6C(=O)OC(=O)c6c5)cc4,"InChI=1/C31H20O8/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33/h3-16H,1-2H3",C31H20O8,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1877,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.875,MQAHXEQUBNDFGI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.876,253-782-2,38103-07-0,Methyl 3-chloro-4-hydroxy-6-methylsalicylate,"methyl 3-chloro-2,4-dihydroxy-6-methylbenzoate",COC(=O)c1c(C)cc(O)c(Cl)c1O,COC(=O)c1c(C)cc(O)c(Cl)c1O,"InChI=1/C9H9ClO4/c1-4-3-5(11)7(10)8(12)6(4)9(13)14-2/h3,11-12H,1-2H3",C9H9ClO4,,,,,,IDVMSOLGOULRNA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.883,253-790-6,38122-15-5,Sodium 2-cyclohexylphenolate,sodium 2-cyclohexylphenolate,[Na+].[O-]c1ccccc1C2CCCCC2,[Na+].[O-]c1ccccc1C2CCCCC2,"InChI=1/C12H16O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h4-5,8-10,13H,1-3,6-7H2;/q;+1/p-1",C12H16O.Na,,,,,,YVOKYTJWRZLUPI-UHFFFAOYSA-M,,,,,,,,,,,
100.048.889,253-796-9,38133-90-3,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[(2-nitrophenyl)azo]naphthalene-2-carboxamide","3-hydroxy-4-[(2-nitrophenyl)diazenyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",[O-][N+](=O)c5ccccc5N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2,[O-][N+](=O)c5ccccc5N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C24H16N6O5/c31-22-16(23(32)25-14-9-10-17-19(12-14)27-24(33)26-17)11-13-5-1-2-6-15(13)21(22)29-28-18-7-3-4-8-20(18)30(34)35/h1-12,31H,(H,25,32)(H2,26,27,33)",C24H16N6O5,,,,,,RSJRBKUJZGGVMR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.066,255-091-1,40816-40-8,Solanine hydrochloride,solanid-5-en-3-yl 6-deoxy-beta-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranoside hydrochloride,Cl.C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6CC(CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1,Cl.C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6CC(CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1,"InChI=1/C45H73NO15.ClH/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42;/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3;1H",C45H73NO15.ClH,,,,,,QUYXLQVIGMPDII-BMULLOTASA-N,,,,,,,,,,,
100.050.071,255-096-9,40828-46-4,Suprofen,2-[4-(2-thienylcarbonyl)phenyl]propanoic acid,CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2,CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2,"InChI=1/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)",C14H12O3S,,,,,,MDKGKXOCJGEUJW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.387,258-745-4,53754-71-5,"1,1-dimethyl-3,5-dimethylenepiperidinium chloride","1,1-dimethyl-3,5-bis(methylene)piperidinium chloride",[Cl-].C[N+]1(C)CC(=C)CC(=C)C1,[Cl-].C[N+]1(C)CC(=C)CC(=C)C1,"InChI=1/C9H16N.ClH/c1-8-5-9(2)7-10(3,4)6-8;/h1-2,5-7H2,3-4H3;1H/q+1;/p-1",C9H16N.Cl,,,,,,KRAHAGWQEMMUGK-UHFFFAOYSA-M,,,,,,,,,,,
100.053.390,258-749-6,53761-50-5,1-ethyl-2-quinolone,1-ethylquinolin-2(1H)-one,CCN1C(=O)C=Cc2ccccc12,CCN1C(=O)C=Cc2ccccc12,"InChI=1/C11H11NO/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3",C11H11NO,,,,,,JRXCUTAHLPYHAY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.391,258-750-1,53767-86-5,"7-methoxy-3,7-dimethyloct-1-ene","7-methoxy-3,7-dimethyloct-1-ene",COC(C)(C)CCCC(C)C=C,COC(C)(C)CCCC(C)C=C,"InChI=1/C11H22O/c1-6-10(2)8-7-9-11(3,4)12-5/h6,10H,1,7-9H2,2-5H3",C11H22O,,,,,,WKBYNERMZLXALA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.393,258-752-2,53770-51-7,"Bis[2-hydroxy-4',5-bis(1-methyl-1-phenylethyl)[1,1'-biphenyl]-3-carboxylato-O2,O3]zinc","zinc bis[2-hydroxy-4',5-bis(1-methyl-1-phenylethyl)biphenyl-3-carboxylate]",CC(C)(c1ccccc1)c2ccc(cc2)c3cc(cc(C(=O)O[Zn]OC(=O)c4cc(cc(c4O)c5ccc(cc5)C(C)(C)c6ccccc6)C(C)(C)c7ccccc7)c3O)C(C)(C)c8ccccc8,CC(C)(c1ccccc1)c2ccc(cc2)c3cc(cc(C(=O)O[Zn]OC(=O)c4cc(cc(c4O)c5ccc(cc5)C(C)(C)c6ccccc6)C(C)(C)c7ccccc7)c3O)C(C)(C)c8ccccc8,"InChI=1/2C31H30O3.Zn/c2*1-30(2,22-11-7-5-8-12-22)24-17-15-21(16-18-24)26-19-25(20-27(28(26)32)29(33)34)31(3,4)23-13-9-6-10-14-23;/h2*5-20,32H,1-4H3,(H,33,34);/q;;+2/p-2",C62H58O6Zn,,,,,,MKBMEGWNGSRNHR-UHFFFAOYSA-L,,,,,,,,,,,
100.053.401,258-761-1,53778-51-1,"Disodium 1-phenyl-3-[[4-[(2-pyridylamino)sulphonyl]phenyl]amino]propane-1,3-disulphonate","disodium 1-phenyl-3-{[4-(pyridin-2-ylsulfamoyl)phenyl]amino}propane-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)C(CC(c1ccccc1)S(=O)(=O)[O-])Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,[Na+].[Na+].[O-]S(=O)(=O)C(CC(c1ccccc1)S(=O)(=O)[O-])Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,"InChI=1/C20H21N3O8S3.2Na/c24-32(25,23-19-8-4-5-13-21-19)17-11-9-16(10-12-17)22-20(34(29,30)31)14-18(33(26,27)28)15-6-2-1-3-7-15;;/h1-13,18,20,22H,14H2,(H,21,23)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C20H21N3O8S3.2Na,,,,,,FBCSVCRUGIQTDR-UHFFFAOYSA-L,,,,,,,,,,,
100.053.405,258-765-3,53779-41-2,"Decahydro-2,5,5,8a-tetramethylnaphthalene-1-ethanol","2-(2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)ethanol",CC1CCC2C(C)(C)CCCC2(C)C1CCO,CC1CCC2C(C)(C)CCCC2(C)C1CCO,"InChI=1/C16H30O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h12-14,17H,5-11H2,1-4H3",C16H30O,,,,,,ZWDUZFUFYAXULG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.414,258-775-8,53786-45-1,Ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate,ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)Nc2ccc(Cl)cc2N,CCOC(=O)N1CCC(CC1)Nc2ccc(Cl)cc2N,"InChI=1/C14H20ClN3O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8,16H2,1H3",C14H20ClN3O2,,,,,,PPCPQDDCMQRJLS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.416,258-777-9,53786-47-3,"Ethyl 4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)piperidine-1-carboxylate","ethyl 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine-1-carboxylate",CCOC(=O)N1CCC(CC1)N2C(=O)Nc3ccccc23,CCOC(=O)N1CCC(CC1)N2C(=O)Nc3ccccc23,"InChI=1/C15H19N3O3/c1-2-21-15(20)17-9-7-11(8-10-17)18-13-6-4-3-5-12(13)16-14(18)19/h3-6,11H,2,7-10H2,1H3,(H,16,19)",C15H19N3O3,,,,,,GXSAIQHDWSYUNK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.421,258-783-1,53797-35-6,Ribostamycin sulphate,"4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside sulfate (salt)",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O.OS(=O)(=O)O,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O.OS(=O)(=O)O,"InChI=1/C17H34N4O10.H2O4S/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17;1-5(2,3)4/h4-17,22-27H,1-3,18-21H2;(H2,1,2,3,4)",C17H34N4O10.xH2O4S,,,,,,RTCDDYYZMGGHOE-BJRDGYLYSA-N,,,,,,,,,,,
100.053.427,258-789-4,53808-87-0,Tetroxoprim,"5-[3,5-dimethoxy-4-(2-methoxyethoxy)benzyl]pyrimidine-2,4-diamine",COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC,COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC,"InChI=1/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)",C16H22N4O4,,,,,,WSWJIZXMAUYHOE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.575,265-551-3,65151-77-1,Diammonium octadecyl phosphate,diammonium octadecyl phosphate,[NH4+].[NH4+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C18H39O4P.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h2-18H2,1H3,(H2,19,20,21);2*1H3",C18H39O4P.2H3N,,,,,,FHAACVJVFVCZFO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.582,265-559-7,65151-86-2,"Octyl dihydrogen phosphate, compound with morpholine (1:2)",octyl dihydrogen phosphate - morpholine (1:2),OP(=O)(O)OCCCCCCCC.C1COCCN1.C1CNCCO1,OP(=O)(O)OCCCCCCCC.C1COCCN1.C1CNCCO1,"InChI=1/C8H19O4P.2C4H9NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;2*1-3-6-4-2-5-1/h2-8H2,1H3,(H2,9,10,11);2*5H,1-4H2",C8H19O4P.2C4H9NO,,,,,,FOIZOXISUCYVPV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.585,265-562-3,65151-94-2,Sodium acetoxyoctadecyl sulphate,sodium 1-acetoxyoctadecyl sulfate,[Na+].CCCCCCCCCCCCCCCCCC(OC(=O)C)OS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(OC(=O)C)OS(=O)(=O)[O-],"InChI=1/C20H40O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25-19(2)21)26-27(22,23)24;/h20H,3-18H2,1-2H3,(H,22,23,24);/q;+1/p-1",C20H40O6S.Na,,,,,,QRDGCBJJGZYCHH-UHFFFAOYSA-M,,,,,,,,,,,
100.059.591,265-569-1,65152-17-2,Strontium 1-amino-4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate,strontium 1-amino-4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Sr+2].Cc1cc(c(cc1Cl)N=Nc3cc(c(N)c2ccccc23)S([O-])(=O)=O)S([O-])(=O)=O,[Sr+2].Cc1cc(c(cc1Cl)N=Nc3cc(c(N)c2ccccc23)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H14ClN3O6S2.Sr/c1-9-6-15(28(22,23)24)14(7-12(9)18)21-20-13-8-16(29(25,26)27)17(19)11-5-3-2-4-10(11)13;/h2-8H,19H2,1H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2",C17H14ClN3O6S2.Sr,,,,,,RQVCFSRRUGBFLS-UHFFFAOYSA-L,,,,,,,,,,,
100.059.594,265-572-8,65152-25-2,Disodium 4-hydroxy-7-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-3-(phenylazo)naphthalene-2-sulphonate,disodium 4-hydroxy-7-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}-3-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c2cc1cc(ccc1c(O)c2)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c2cc1cc(ccc1c(O)c2)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O,"InChI=1/C27H20N4O9S2.2Na/c32-23-14-20(41(35,36)37)12-15-10-18(6-8-21(15)23)28-27(34)29-19-7-9-22-16(11-19)13-24(42(38,39)40)25(26(22)33)31-30-17-4-2-1-3-5-17;;/h1-14,32-33H,(H2,28,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C27H20N4O9S2.2Na,,,,,,GNYMKEYZWMYDGM-UHFFFAOYSA-L,,,,,,,,,,,
100.061.611,267-793-5,67923-88-0,"Ethyl-9,10-dihydroanthracene-9,10-diol","1-ethyl-9,10-dihydroanthracene-9,10-diol",CCc1cccc2C(O)c3ccccc3C(O)c12,CCc1cccc2C(O)c3ccccc3C(O)c12,"InChI=1/C16H16O2/c1-2-10-6-5-9-13-14(10)16(18)12-8-4-3-7-11(12)15(13)17/h3-9,15-18H,2H2,1H3",C16H16O2,,,,,,ZPAFNFCCRHYXIS-UHFFFAOYSA-N,,,,,,,,,,,
100.061.615,267-797-7,67924-12-3,Bis(5-methyl-1H-benzotriazole) sulphate,5-methyl-1H-benzotriazole,Cc1ccc2[nH]nnc2c1,Cc1ccc2[nH]nnc2c1,"InChI=1/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",C7H7N3.1/2H2O4S,,,,,,LRUDIIUSNGCQKF-UHFFFAOYSA-N,Positive/Negative,AU405206;EQ279101|EQ279102|EQ279103|EQ279104|EQ279105|EQ279106|EQ279107|EQ279108|EQ279109;ETS00118;TUE00041|TUE00042|TUE00043,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CIDRAMP 15.6-23.4;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCDscaled 80 (m/z=200) to 110 (m/z=120);NA10.0V|NA20.0V|NA40.0V,134.0705:79.0534:95.0488;134.0712:79.0542:106.0651|134.0712:79.0542:106.0651|134.0712:79.0542:106.0651|134.0712:79.0542:106.0651|134.0712:79.0542:95.0491|79.0542:95.0491:134.0713|95.0492:77.0385:105.0448|95.0492:77.0385:51.023|51.023:95.0492:77.0386;134.0706:79.0534:53.0377;134.0713:79.0543:77.0386|77.0387:134.0713:79.0544|77.0387:51.0228:53.0385,Athens_Univ;Eawag;Eawag_Additional_Specs2;Env_Anal_Chem_U_Tuebingen,EQ279151|EQ279152|EQ279153|EQ279154|EQ279155|EQ279156|EQ279157|EQ279158|EQ279159;TUE00045|TUE00046|TUE00047,[M-H]-;[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;NA10.0V|NA20.0V|NA40.0V,132.0568:103.0428:104.0506|132.0568:103.0428:104.0506|132.0568:103.0428:104.0506|132.0568:103.0428:104.0506|132.0568:103.0428:104.0506|132.0568:103.0428:104.0507|103.0428:50.0036:132.0568|50.0036:88.0193:63.0115|50.0036:88.0193:63.0115;132.0568:103.0427:104.0503|132.0565:103.0426:104.0504|50.0033:88.0192:63.0113,Eawag;Env_Anal_Chem_U_Tuebingen
100.061.618,267-800-1,67924-15-6,"3,6,9,12-tetraazatetradecane-1,14-diamine acetate","3,6,9,12-tetraazatetradecane-1,14-diamine acetate",CC(=O)O.NCCNCCNCCNCCNCCN,CC(=O)O.NCCNCCNCCNCCNCCN,"InChI=1/C10H28N6.C2H4O2/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;1-2(3)4/h13-16H,1-12H2;1H3,(H,3,4)",C10H28N6.xC2H4O2,,,,,,IIENIZDMZNXADL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.251,261-895-3,59737-01-8,"2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-{2-[(4-methoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium hydrogen sulfate",COc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C20H22N2O.H2O4S/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h5-14H,1-4H3;(H2,1,2,3,4)/p-1",C20H23N2O.HO4S,,,,,,VQWAIAQQRBMRKH-UHFFFAOYSA-M,,,,,,,,,,,
100.056.252,261-896-9,59737-02-9,"2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-{2-[(4-methoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium acetate",COc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],"InChI=1/C20H22N2O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-2(3)4/h5-14H,1-4H3;1H3,(H,3,4)",C20H23N2O.C2H3O2,,,,,,XNYAFIMDLLJYPY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.253,261-897-4,59737-18-7,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium dihydrogen phosphate",CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C.[O-]P(=O)([O-])[O-],CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[O-]P(=O)([O-])[O-],"InChI=1/C22H25N2.H3O4P/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5(2,3)4/h5-14,16H,15H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C22H25N2.H2O4P,,,,,,SKSBVNFUOFLXIC-UHFFFAOYSA-K,,,,,,,,,,,
100.056.256,261-901-4,59742-21-1,6-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde,6-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde,CC1CC=C(CCC=C(C)C)CC1C=O,CC1CC=C(CCC=C(C)C)CC1C=O,"InChI=1/C14H22O/c1-11(2)5-4-6-13-8-7-12(3)14(9-13)10-15/h5,8,10,12,14H,4,6-7,9H2,1-3H3",C14H22O,,,,,,XLKJWMUGWUWYGB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.908,265-918-8,65776-61-6,2-(2-ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium,"3-[2-(2-ethoxybut-1-en-1-yl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]1c2cc(ccc2sc1C=C(CC)OCC)OC,[O-]S(=O)(=O)CCC[n+]1c2cc(ccc2sc1C=C(CC)OCC)OC,"InChI=1/C17H23NO5S2/c1-4-13(23-5-2)12-17-18(9-6-10-25(19,20)21)15-11-14(22-3)7-8-16(15)24-17/h7-8,11-12H,4-6,9-10H2,1-3H3",C17H23NO5S2,,,,,,OCOQIXABQGDZEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.913,265-924-0,65776-66-1,N-(3-bromo-2-naphthyl)acetamide,N-(3-bromo-2-naphthyl)acetamide,CC(=O)Nc1cc2ccccc2cc1Br,CC(=O)Nc1cc2ccccc2cc1Br,"InChI=1/C12H10BrNO/c1-8(15)14-12-7-10-5-3-2-4-9(10)6-11(12)13/h2-7H,1H3,(H,14,15)",C12H10BrNO,,,,,,LVFGSFGSVRMEDI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.915,265-926-1,65783-11-1,"3,4-dichlorophenylguanidinium nitrate","N-carbamimidoyl-3,4-dichloroanilinium nitrate",NC(=N)[NH2+]c1ccc(Cl)c(Cl)c1.[O-][N+](=O)[O-],NC(=N)[NH2+]c1ccc(Cl)c(Cl)c1.[O-][N+](=O)[O-],"InChI=1/C7H7Cl2N3.NO3/c8-5-2-1-4(3-6(5)9)12-7(10)11;2-1(3)4/h1-3H,(H4,10,11,12);/q;-1/p+1",C7H7Cl2N3.HNO3,,,,,,JERGTFYMPGRDBN-UHFFFAOYSA-O,,,,,,,,,,,
100.059.920,265-931-9,65813-53-8,ß-methylphenethyl isobutyrate,2-phenylpropyl 2-methylpropanoate,CC(C)C(=O)OCC(C)c1ccccc1,CC(C)C(=O)OCC(C)c1ccccc1,"InChI=1/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",C13H18O2,,,,,,LZTCJUAHYXNKRE-UHFFFAOYSA-N,,,,,,,,,,,
100.061.140,267-274-3,67828-52-8,"2,5-diethoxy-N,N-diethylbenzene-1,4-diamine","2,5-diethoxy-N,N-diethylbenzene-1,4-diamine",CCOc1cc(N(CC)CC)c(OCC)cc1N,CCOc1cc(N(CC)CC)c(OCC)cc1N,"InChI=1/C14H24N2O2/c1-5-16(6-2)12-10-13(17-7-3)11(15)9-14(12)18-8-4/h9-10H,5-8,15H2,1-4H3",C14H24N2O2,,,,,,ILVYHPABHVLWQB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.141,267-275-9,67828-54-0,"4-(diethylamino)-2,5-diethoxybenzenediazonium tetrachlorozincate (2:1)","bis[4-(diethylamino)-2,5-diethoxybenzenediazonium] tetrachlorozincate(2-)",CCOc1cc(N(CC)CC)c(OCC)cc1[N+]#N.CCOc2cc(N(CC)CC)c(OCC)cc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc(N(CC)CC)c(OCC)cc1[N+]#N.CCOc2cc(N(CC)CC)c(OCC)cc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H22N3O2.4ClH.Zn/c2*1-5-17(6-2)12-10-13(18-7-3)11(16-15)9-14(12)19-8-4;;;;;/h2*9-10H,5-8H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H22N3O2.Cl4Zn/c2*1-5-17(6-2)12-10-13(18-7-3)11(16-15)9-14(12)19-8-4;1-5(2,3)4/h2*9-10H,5-8H2,1-4H3;/q2*+1;-2",C14H22N3O2.1/2Cl4Zn,,,,,,YJCDXQQDLZAZGK-UHFFFAOYSA-J,,,,,,,,,,,
100.061.143,267-278-5,67828-57-3,1-(2-methoxy-4-nitrophenyl)pyrrolidine,1-(2-methoxy-4-nitrophenyl)pyrrolidine,COc1cc(ccc1N2CCCC2)[N+](=O)[O-],COc1cc(ccc1N2CCCC2)[N+](=O)[O-],"InChI=1/C11H14N2O3/c1-16-11-8-9(13(14)15)4-5-10(11)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3",C11H14N2O3,,,,,,ULBJILHSWMGASA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.144,267-279-0,67828-58-4,1-(2-methyl-4-nitrophenyl)pyrrolidine,1-(2-methyl-4-nitrophenyl)pyrrolidine,Cc1cc(ccc1N2CCCC2)[N+](=O)[O-],Cc1cc(ccc1N2CCCC2)[N+](=O)[O-],"InChI=1/C11H14N2O2/c1-9-8-10(13(14)15)4-5-11(9)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3",C11H14N2O2,,,,,,GUZLPJVFYLEHSV-UHFFFAOYSA-N,,,,,,,,,,,
100.061.147,267-282-7,67828-63-1,"1,4-dichloro-2,5-diethoxybenzene","1,4-dichloro-2,5-diethoxybenzene",CCOc1cc(Cl)c(OCC)cc1Cl,CCOc1cc(Cl)c(OCC)cc1Cl,"InChI=1/C10H12Cl2O2/c1-3-13-9-5-8(12)10(14-4-2)6-7(9)11/h5-6H,3-4H2,1-2H3",C10H12Cl2O2,,,,,,FPPRAMDVWJLFCI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.149,267-284-8,67828-66-4,3-chloro-4-(morpholino)benzenediazonium tetrafluoroborate,3-chloro-4-morpholin-4-ylbenzenediazonium tetrafluoroborate,F[B-](F)(F)F.Clc1cc(ccc1N2CCOCC2)[N+]#N,F[B-](F)(F)F.Clc1cc(ccc1N2CCOCC2)[N+]#N,"InChI=1/C10H11ClN3O.BF4/c11-9-7-8(13-12)1-2-10(9)14-3-5-15-6-4-14;2-1(3,4)5/h1-2,7H,3-6H2;/q+1;-1",C10H11ClN3O.BF4,,,,,,OHQOJCAEFMMUFB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.157,267-293-7,67829-13-4,"2-(phosphonooxy)propane-1,3-diyl bismethacrylate","2-(phosphonooxy)propane-1,3-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCC(COC(=O)C(=C)C)OP(=O)(O)O,CC(=C)C(=O)OCC(COC(=O)C(=C)C)OP(=O)(O)O,"InChI=1/C11H17O8P/c1-7(2)10(12)17-5-9(19-20(14,15)16)6-18-11(13)8(3)4/h9H,1,3,5-6H2,2,4H3,(H2,14,15,16)",C11H17O8P,,,,,,XKGZMSUSCOSLIO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.160,267-296-3,67829-80-5,Nonyl (4-chloro-2-methylphenoxy)acetate,nonyl (4-chloro-2-methylphenoxy)acetate,CCCCCCCCCOC(=O)COc1ccc(Cl)cc1C,CCCCCCCCCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C18H27ClO3/c1-3-4-5-6-7-8-9-12-21-18(20)14-22-17-11-10-16(19)13-15(17)2/h10-11,13H,3-9,12,14H2,1-2H3",C18H27ClO3,,,,,,BPTINZNFNSGNTG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.169,267-307-1,67845-29-8,Ethyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate,ethyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate,CCOC(=O)C1C(C)C2CC1C=C2,CCOC(=O)C1C(C)C2CC1C=C2,"InChI=1/C11H16O2/c1-3-13-11(12)10-7(2)8-4-5-9(10)6-8/h4-5,7-10H,3,6H2,1-2H3",C11H16O2,,,,,,CVCQFCVMUMOBBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.172,267-310-8,67845-36-7,"2-methoxy-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol","2-methoxy-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol",COC1CCCC(C1O)C2CC3CCC2(C)C3(C)C,COC1CCCC(C1O)C2CC3CCC2(C)C3(C)C,"InChI=1/C17H30O2/c1-16(2)11-8-9-17(16,3)13(10-11)12-6-5-7-14(19-4)15(12)18/h11-15,18H,5-10H2,1-4H3",C17H30O2,,,,,,XRSPLASKNSDWKL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.894,253-803-5,38142-45-9,1-methyl-4-((hydroxymethyl)vinyl)-cyclohex-1-ene,2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol,CC1=CCC(CC1)C(=C)CO,CC1=CCC(CC1)C(=C)CO,"InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3",C10H16O,,,,,,UIMAEYMKYMNCGW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.896,253-805-6,38150-27-5,"5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenone","{5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl}(phenyl)methanone",Cc1nnc(CO)n1c2ccc(Cl)cc2C(=O)c3ccccc3,Cc1nnc(CO)n1c2ccc(Cl)cc2C(=O)c3ccccc3,"InChI=1/C17H14ClN3O2/c1-11-19-20-16(10-22)21(11)15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12/h2-9,22H,10H2,1H3",C17H14ClN3O2,,,,,,UZEKJKOIIZBJFR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.709,255-799-0,42399-49-5,"(2S-cis)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one","3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one",COc1ccc(cc1)[C@@H]2Sc3ccccc3NC(=O)[C@@H]2O,COc1ccc(cc1)[C@@H]2Sc3ccccc3NC(=O)[C@@H]2O,"InChI=1/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)",C16H15NO3S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7906,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.709,LHBHZALHFIQJGJ-CABCVRRESA-N,,,,,,,,,,,
100.050.713,255-804-6,42404-09-1,2-hydroxy-N-methyl-N-phenylacetamide,2-hydroxy-N-methyl-N-phenylacetamide,CN(C(=O)CO)c1ccccc1,CN(C(=O)CO)c1ccccc1,"InChI=1/C9H11NO2/c1-10(9(12)7-11)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3",C9H11NO2,,,,,,PNEABRNAYDDYJK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.719,255-810-9,42411-55-2,(R)-3-chlorodihydrofuran-2(3H)-one,3-chlorodihydrofuran-2(3H)-one,Cl[C@@H]1CCOC1=O,Cl[C@@H]1CCOC1=O,"InChI=1/C4H5ClO2/c5-3-1-2-7-4(3)6/h3H,1-2H2",C4H5ClO2,,,,,,OARNHESMASZJCO-GSVOUGTGSA-N,,,,,,,,,,,
100.050.720,255-811-4,42413-23-0,Dibenzyl suberate,dibenzyl suberate,O=C(CCCCCCC(=O)OCc1ccccc1)OCc2ccccc2,O=C(CCCCCCC(=O)OCc1ccccc1)OCc2ccccc2,"InChI=1/C22H26O4/c23-21(25-17-19-11-5-3-6-12-19)15-9-1-2-10-16-22(24)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2",C22H26O4,,,,,,KWYCNDSIQMBOIS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.727,255-819-8,42434-17-3,"Diethyl piperazine-1,4-dipropionate","diethyl 3,3'-piperazine-1,4-diyldipropanoate",CCOC(=O)CCN1CCN(CCC(=O)OCC)CC1,CCOC(=O)CCN1CCN(CCC(=O)OCC)CC1,"InChI=1/C14H26N2O4/c1-3-19-13(17)5-7-15-9-11-16(12-10-15)8-6-14(18)20-4-2/h3-12H2,1-2H3",C14H26N2O4,,,,,,NHSDIZSYJOGUJB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.744,255-838-1,42471-28-3,Nimustine,3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea,Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1,Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1,"InChI=1/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)",C9H13ClN6O2,,,,,,VFEDRRNHLBGPNN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.746,255-840-2,42479-87-8,"3-(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol",3-tert-butylbiphenyl-4-ol,CC(C)(C)c1cc(ccc1O)c2ccccc2,CC(C)(C)c1cc(ccc1O)c2ccccc2,"InChI=1/C16H18O/c1-16(2,3)14-11-13(9-10-15(14)17)12-7-5-4-6-8-12/h4-11,17H,1-3H3",C16H18O,,,,,,KXQMNHRMRRUCCA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.251,257-494-8,51887-56-0,2-methoxy-5-[(methylamino)sulphonyl]benzoic acid,2-methoxy-5-(methylsulfamoyl)benzoic acid,CNS(=O)(=O)c1ccc(OC)c(c1)C(=O)O,CNS(=O)(=O)c1ccc(OC)c(c1)C(=O)O,"InChI=1/C9H11NO5S/c1-10-16(13,14)6-3-4-8(15-2)7(5-6)9(11)12/h3-5,10H,1-2H3,(H,11,12)",C9H11NO5S,,,,,,TWDGNKWWKCGFNH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.615,253-496-8,37411-22-6,Magnesium pentan-1-olate,magnesium dipentan-1-olate,[Mg+2].CCCCC[O-].CCCCC[O-],[Mg+2].CCCCC[O-].CCCCC[O-],"InChI=1/2C5H11O.Mg/c2*1-2-3-4-5-6;/h2*2-5H2,1H3;/q2*-1;+2",C5H12O.1/2Mg,,,,,,WRZMOWGAWMKGIT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.619,253-500-8,37414-52-1,(±)-6-methoxy-a-methylnaphthalene-2-ethanol,1-(6-methoxy-2-naphthyl)propan-2-ol,COc1ccc2cc(CC(C)O)ccc2c1,COc1ccc2cc(CC(C)O)ccc2c1,"InChI=1/C14H16O2/c1-10(15)7-11-3-4-13-9-14(16-2)6-5-12(13)8-11/h3-6,8-10,15H,7H2,1-2H3",C14H16O2,,,,,,NOJXSJQHHXNLHP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.126,255-158-5,40951-76-6,"Sodium 1-amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-aminophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,[Na+].Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,"InChI=1/C20H15N3O5S.Na/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25;/h1-9,23H,21-22H2,(H,26,27,28);/q;+1/p-1",C20H15N3O5S.Na,,,,,,BRJFZCXWKYXAOE-UHFFFAOYSA-M,,,,,,,,,,,
100.050.136,255-169-5,40994-22-7,Sodium (6R-trans)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)[O-],[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)[O-],"InChI=1/C10H12N2O5S.Na/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16;/h6,9H,2-3,11H2,1H3,(H,15,16);/q;+1/p-1",C10H12N2O5S.Na,,,,,,PVCIUMOLXPZFHR-YDYUUSCQSA-M,,,,,,,,,,,
100.053.430,258-793-6,53810-90-5,"N-(4,5-dihydro-4-methyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)methacrylamide","2-methyl-N-(4-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acrylamide",CC1C(=NN(C1=O)c2ccccc2)NC(=O)C(=C)C,CC1C(=NN(C1=O)c2ccccc2)NC(=O)C(=C)C,"InChI=1/C14H15N3O2/c1-9(2)13(18)15-12-10(3)14(19)17(16-12)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3,(H,15,16,18)",C14H15N3O2,,,,,,USZJJZWWWUQAIC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.824,253-725-1,37939-80-3,"(E)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime","1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime",CC1(C)C2CCC1(C)\\C(=N\\O)\\C2,CC1(C)C2CCC1(C)\C(=N\O)\C2,"InChI=1/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3",C10H17NO,,,,,,OVFDEGGJFJECAT-DHZHZOJOSA-N,,,,,,,,,,,
100.048.826,253-727-2,37943-54-7,"8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane","8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane",C(N1CCC2(CC1)OCCO2)c3ccccc3,C(N1CCC2(CC1)OCCO2)c3ccccc3,"InChI=1/C14H19NO2/c1-2-4-13(5-3-1)12-15-8-6-14(7-9-15)16-10-11-17-14/h1-5H,6-12H2",C14H19NO2,,,,,,AOAMQMAEEUONRT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.828,253-729-3,37951-49-8,3'-methoxypropiophenone,1-(3-methoxyphenyl)propan-1-one,CCC(=O)c1cccc(OC)c1,CCC(=O)c1cccc(OC)c1,"InChI=1/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3",C10H12O2,,,,,,LPDJHUUWTGXTCU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.830,253-731-4,37966-23-7,"Hydrogen 2-[2-methyl-3-[3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium, compound with triethylamine (1:1)","hydrogen 4-[2-{2-methyl-3-[3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzothiazol-3(2H)-yl]butane-1-sulfonate - N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCCC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCCCS([O-])(=O)=O,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCCC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCCCS([O-])(=O)=O,"InChI=1/C26H30N2O6S4.C6H15N.H2/c1-20(18-25-27(14-6-8-16-37(29,30)31)21-10-2-4-12-23(21)35-25)19-26-28(15-7-9-17-38(32,33)34)22-11-3-5-13-24(22)36-26;1-4-7(5-2)6-3;/h2-5,10-13,18-19H,6-9,14-17H2,1H3,(H-,29,30,31,32,33,34);4-6H2,1-3H3;1H/q;;+1/p-1",C26H30N2O6S4.C6H15N,,,,,,PXCKQVKZUMLAOI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.836,253-738-2,37981-16-1,"Dibutyl cyclohex-4-ene-1,2-dicarboxylate","dibutyl cyclohex-4-ene-1,2-dicarboxylate",CCCCOC(=O)C1CC=CCC1C(=O)OCCCC,CCCCOC(=O)C1CC=CCC1C(=O)OCCCC,"InChI=1/C16H26O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-8,13-14H,3-6,9-12H2,1-2H3",C16H26O4,,,,,,ANOXPYCDNXHEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.838,253-740-3,37984-64-8,Bis(2-chloroethyl) chlorophosphite,bis(2-chloroethyl) chlorophosphite,ClCCOP(Cl)OCCCl,ClCCOP(Cl)OCCCl,InChI=1/C4H8Cl3O2P/c5-1-3-8-10(7)9-4-2-6/h1-4H2,C4H8Cl3O2P,,,,,,QBOBFSGHAHQYNU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.839,253-741-9,37999-72-7,Zirconium ammonium lactate,-,[NH4+].[Zr+2].CC(O)C(=O)[O-],[NH4+].[Zr+2].CC(O)C(=O)[O-],"InChI=1/C3H6O3.H3N.Zr/c1-2(4)3(5)6;;/h2,4H,1H3,(H,5,6);1H3;/q;;+2",C3H6O3.xH3N.xZr,,,,,,BCLRHZMWYJIAOF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.840,253-742-4,38004-08-9,N-(2-ethoxyethyl)aniline,N-(2-ethoxyethyl)aniline,CCOCCNc1ccccc1,CCOCCNc1ccccc1,"InChI=1/C10H15NO/c1-2-12-9-8-11-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3",C10H15NO,,,,,,JLYJJRHBGXOWSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.843,253-746-6,38019-89-5,"(E)-1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene","1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene",CCOC(C)OC\\C=C(/C)\\CCC=C(C)C,CCOC(C)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C14H26O2/c1-6-15-14(5)16-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3",C14H26O2,,,,,,XJMAAOIVFHDJAK-JLHYYAGUSA-N,,,,,,,,,,,
100.048.846,253-749-2,38026-46-9,Ethyl 2-thiouracil-5-carboxylate,"ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate",CCOC(=O)C1=CNC(=S)NC1=O,CCOC(=O)C1=CNC(=S)NC1=O,"InChI=1/C7H8N2O3S/c1-2-12-6(11)4-3-8-7(13)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,13)",C7H8N2O3S,,,,,,FQFSHLBWRUOCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.848,253-751-3,38029-10-6,"a6-[[(tert-butyl)amino]methyl]-3-hydroxypyridine-2,6-dimethanol dihydrochloride",6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol dihydrochloride,Cl.Cl.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,Cl.Cl.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,"InChI=1/C12H20N2O3.2ClH/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;;/h4-5,11,13,15-17H,6-7H2,1-3H3;2*1H",C12H20N2O3.2ClH,,,,,,XIDFCZTVVCWBGN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.851,253-755-5,38049-26-2,"(1a,2ß,5a)-2-methyl-5-(1-methylvinyl)cyclohexan-1-ol",5-isopropenyl-2-methylcyclohexanol,C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C,C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3",C10H18O,,,,,,KRCZYMFUWVJCLI-GUBZILKMSA-N,,,,,,,,,,,
100.048.855,253-759-7,38050-97-4,"p,p',p'',p'''-[1,4-phenylenebisbenzylidyne]tetrakisphenol","4,4',4'',4'''-[1,4-phenylenebis(phenylmethanetriyl)]tetraphenol",Oc1ccc(cc1)C(c2ccccc2)(c3ccc(O)cc3)c4ccc(cc4)C(c5ccccc5)(c6ccc(O)cc6)c7ccc(O)cc7,Oc1ccc(cc1)C(c2ccccc2)(c3ccc(O)cc3)c4ccc(cc4)C(c5ccccc5)(c6ccc(O)cc6)c7ccc(O)cc7,"InChI=1/C44H34O4/c45-39-23-15-35(16-24-39)43(31-7-3-1-4-8-31,36-17-25-40(46)26-18-36)33-11-13-34(14-12-33)44(32-9-5-2-6-10-32,37-19-27-41(47)28-20-37)38-21-29-42(48)30-22-38/h1-30,45-48H",C44H34O4,,,,,,UVHRMZIIPPMNSR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.169,257-404-7,51770-81-1,"Naphthalene-2,7-disulphonic acid, sodium salt",sodium 7-sulfonaphthalene-2-sulfonate,[Na+].OS(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-],[Na+].OS(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.Na/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+1/p-1",C10H8O6S2.xNa,,,,,,PVDQDEYXGXTPBP-UHFFFAOYSA-M,,,,,,,,,,,
100.056.257,261-903-5,59742-22-2,1-[1-methyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]ethan-1-one,1-[1-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]ethanone,CC(=CCCC1=CCC(C)(CC1)C(=O)C)C,CC(=CCCC1=CCC(C)(CC1)C(=O)C)C,"InChI=1/C15H24O/c1-12(2)6-5-7-14-8-10-15(4,11-9-14)13(3)16/h6,8H,5,7,9-11H2,1-4H3",C15H24O,,,,,,JNRNEKWNRPPXMR-UHFFFAOYSA-N,,,,,,,,,,,
100.056.264,261-910-3,59748-34-4,"4'-pentyl[1,1'-biphenyl]-4-yl 4-butylbenzoate",4'-pentylbiphenyl-4-yl 4-butylbenzoate,CCCCCc1ccc(cc1)c2ccc(OC(=O)c3ccc(CCCC)cc3)cc2,CCCCCc1ccc(cc1)c2ccc(OC(=O)c3ccc(CCCC)cc3)cc2,"InChI=1/C28H32O2/c1-3-5-7-9-23-10-14-24(15-11-23)25-18-20-27(21-19-25)30-28(29)26-16-12-22(13-17-26)8-6-4-2/h10-21H,3-9H2,1-2H3",C28H32O2,,,,,,MYVSMQJGGRPENO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.671,263-457-7,62207-11-8,Tetrakis(decyl)ammonium perchlorate,"N,N,N-tris(decyl)decan-1-aminium perchlorate",CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[O-]Cl(=O)(=O)=O,CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[O-]Cl(=O)(=O)=O,"InChI=1/C40H84N.ClHO4/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;2-1(3,4)5/h5-40H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C40H84N.ClO4,,,,,,SNXODLMVYXNJSH-UHFFFAOYSA-M,,,,,,,,,,,
100.057.675,263-461-9,62211-03-4,"Calcium (R*,R*)-5,5'-bis(ß-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylate","calcium 5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylate",[Ca+2].OC[C@H]1O[C@@H](Oc2cccc3C(C4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)[O-])c8cc(cc(O)c8C(=O)c23)C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,[Ca+2].OC[C@H]1O[C@@H](Oc2cccc3C(C4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)[O-])c8cc(cc(O)c8C(=O)c23)C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C42H38O20.Ca/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46;/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58);/q;+2/p-2",C42H38O20.Ca,,,,,,JQVYZJIFFAHQKX-ZAULLPPESA-L,,,,,,,,,,,
100.057.677,263-464-5,62220-43-3,Sodium ethyl cyanocarbamate,-,[Na+].CCOC(=O)NC#N,[Na+].CCOC(=O)NC#N,"InChI=1/C4H6N2O2.Na/c1-2-8-4(7)6-3-5;/h2H2,1H3,(H,6,7);/q;+1",C4H6N2O2.Na,,,,,,NAIMWOFRWRPOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.685,263-472-9,62257-17-4,N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]acetamide,N-{5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}acetamide,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCO)CCO)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C18H20ClN5O5/c1-12(27)20-18-11-13(23(6-8-25)7-9-26)2-5-17(18)22-21-16-4-3-14(24(28)29)10-15(16)19/h2-5,10-11,25-26H,6-9H2,1H3,(H,20,27)",C18H20ClN5O5,,,,,,ORCRYIVAJKZTLW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.689,263-477-6,62265-67-2,"1-(dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-ol","1-(dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-ol",Oc1ccc2N(CCCc2c1)C(=O)C(Cl)Cl,Oc1ccc2N(CCCc2c1)C(=O)C(Cl)Cl,"InChI=1/C11H11Cl2NO2/c12-10(13)11(16)14-5-1-2-7-6-8(15)3-4-9(7)14/h3-4,6,10,15H,1-2,5H2",C11H11Cl2NO2,,,,,,OMZBOXOCCLZODD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.691,263-479-7,62265-99-0,"2,6-dibromo-3-methyl-4-nitroanisole","1,3-dibromo-2-methoxy-4-methyl-5-nitrobenzene",COc1c(Br)cc(c(C)c1Br)[N+](=O)[O-],COc1c(Br)cc(c(C)c1Br)[N+](=O)[O-],"InChI=1/C8H7Br2NO3/c1-4-6(11(12)13)3-5(9)8(14-2)7(4)10/h3H,1-2H3",C8H7Br2NO3,,,,,,RBAJFFLBHVZCDY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.695,263-483-9,62269-44-7,Methyl 3-[(trimethylsilyl)oxy]-2-butenoate,methyl 3-[(trimethylsilyl)oxy]but-2-enoate,C[Si](C)(C)OC(C)=CC(=O)OC,C[Si](C)(C)OC(C)=CC(=O)OC,"InChI=1/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3",C8H16O3Si,,,,,,OQNKCUVOGBTGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.700,263-489-1,62293-32-7,"1-[(2,4-dimethoxyphenyl)azo]-2-naphthol","1-[(2,4-dimethoxyphenyl)diazenyl]-2-naphthol",COc3cc(ccc3N=Nc1c2ccccc2ccc1O)OC,COc3cc(ccc3N=Nc1c2ccccc2ccc1O)OC,"InChI=1/C18H16N2O3/c1-22-13-8-9-15(17(11-13)23-2)19-20-18-14-6-4-3-5-12(14)7-10-16(18)21/h3-11,21H,1-2H3",C18H16N2O3,,,,,,YTDJHHZYTXVRHA-UHFFFAOYSA-N,,,,,,,,,,,
100.058.218,264-060-1,63270-14-4,"Nonane-1,3-diyl diacetate","nonane-1,3-diyl diacetate",CCCCCCC(CCOC(=O)C)OC(=O)C,CCCCCCC(CCOC(=O)C)OC(=O)C,"InChI=1/C13H24O4/c1-4-5-6-7-8-13(17-12(3)15)9-10-16-11(2)14/h13H,4-10H2,1-3H3",C13H24O4,,,,,,XUVKIVFZTRZJRP-UHFFFAOYSA-N,,,,,,,,,,,
100.058.223,264-065-9,63281-04-9,"5-[[2,3-dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-4-yl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile","4-methyl-5-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]diazenyl}-2,6-bis{[3-(2-phenoxyethoxy)propyl]amino}nicotinonitrile",Cc6c(C#N)c(NCCCOCCOc1ccccc1)nc(NCCCOCCOc2ccccc2)c6N=Nc4cccc3C(=O)N(C(=O)c34)c5ccc(C)cc5,Cc6c(C#N)c(NCCCOCCOc1ccccc1)nc(NCCCOCCOc2ccccc2)c6N=Nc4cccc3C(=O)N(C(=O)c34)c5ccc(C)cc5,"InChI=1/C44H45N7O6/c1-31-18-20-33(21-19-31)51-43(52)36-16-9-17-38(39(36)44(51)53)49-50-40-32(2)37(30-45)41(46-22-10-24-54-26-28-56-34-12-5-3-6-13-34)48-42(40)47-23-11-25-55-27-29-57-35-14-7-4-8-15-35/h3-9,12-21H,10-11,22-29H2,1-2H3,(H2,46,47,48)",C44H45N7O6,,,,,,JLOYQEBEVYFOLX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.174,267-312-9,67845-42-5,"Methyl 2-[(3,7-dimethyl-6-octenylidene)amino]benzoate","methyl 2-[(3,7-dimethyloct-6-en-1-ylidene)amino]benzoate",COC(=O)c1ccccc1N=CCC(C)CC\\C=C(/C)C,COC(=O)c1ccccc1N=CCC(C)CC\C=C(/C)C,"InChI=1/C18H25NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,8,10-11,13,15H,7,9,12H2,1-4H3",C18H25NO2,,,,,,FOIQCUQRLOGHEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.180,267-319-7,67845-48-1,"(E)-1-(3,7-dimethylocta-2,6-dienyl)-1H-indole","1-(3,7-dimethylocta-2,6-dien-1-yl)-1H-indole",CC(=CCC\\C(=C\\Cn1ccc2ccccc12)\\C)C,CC(=CCC\C(=C\Cn1ccc2ccccc12)\C)C,"InChI=1/C18H23N/c1-15(2)7-6-8-16(3)11-13-19-14-12-17-9-4-5-10-18(17)19/h4-5,7,9-12,14H,6,8,13H2,1-3H3",C18H23N,,,,,,BRAYSEBRLMYPDQ-LFIBNONCSA-N,,,,,,,,,,,
100.056.314,261-965-3,59866-72-7,"2,2,2-tribromo-1-chloroethyl 2,3-dibromopropionate","2,2,2-tribromo-1-chloroethyl 2,3-dibromopropanoate",ClC(OC(=O)C(Br)CBr)C(Br)(Br)Br,ClC(OC(=O)C(Br)CBr)C(Br)(Br)Br,"InChI=1/C5H4Br5ClO2/c6-1-2(7)3(12)13-4(11)5(8,9)10/h2,4H,1H2",C5H4Br5ClO2,,,,,,NGCYKKQMUGJOQS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.318,261-970-0,59872-84-3,"2,2,3,3,3-pentafluoro-1-methoxypropanol","2,2,3,3,3-pentafluoro-1-methoxypropan-1-ol",COC(O)C(F)(F)C(F)(F)F,COC(O)C(F)(F)C(F)(F)F,"InChI=1/C4H5F5O2/c1-11-2(10)3(5,6)4(7,8)9/h2,10H,1H3",C4H5F5O2,,,,,,FHGKXFQZUUSHPB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.322,261-974-2,59891-41-7,3-ethylhexahydro-1-methyl-2H-azepin-2-one,3-ethyl-1-methylazepan-2-one,CCC1CCCCN(C)C1=O,CCC1CCCCN(C)C1=O,"InChI=1/C9H17NO/c1-3-8-6-4-5-7-10(2)9(8)11/h8H,3-7H2,1-2H3",C9H17NO,,,,,,TWJZVJYUCAHEGB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.326,261-978-4,59902-01-1,5-(methylthio)-2-[(methylthio)methyl]pent-2-enal,5-(methylsulfanyl)-2-[(methylsulfanyl)methyl]pent-2-enal,CSCC(=CCCSC)C=O,CSCC(=CCCSC)C=O,"InChI=1/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3",C8H14OS2,,,,,,VVZWQNGEMWJSTM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.332,261-985-2,59917-57-6,"2,2'-methylenebis[4,6-bis[(dimethylamino)methyl]phenol]","2,2'-methylenebis{4,6-bis[(dimethylamino)methyl]phenol}",CN(C)Cc1cc(CN(C)C)c(O)c(Cc2cc(CN(C)C)cc(CN(C)C)c2O)c1,CN(C)Cc1cc(CN(C)C)c(O)c(Cc2cc(CN(C)C)cc(CN(C)C)c2O)c1,"InChI=1/C25H40N4O2/c1-26(2)14-18-9-20(24(30)22(11-18)16-28(5)6)13-21-10-19(15-27(3)4)12-23(25(21)31)17-29(7)8/h9-12,30-31H,13-17H2,1-8H3",C25H40N4O2,,,,,,AVNDZZHKCFPIKB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.336,261-989-4,59956-56-8,Butyl dibromoacetate,butyl dibromoacetate,CCCCOC(=O)C(Br)Br,CCCCOC(=O)C(Br)Br,"InChI=1/C6H10Br2O2/c1-2-3-4-10-6(9)5(7)8/h5H,2-4H2,1H3",C6H10Br2O2,,,,,,PRKVHEYASKRHKL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.338,261-992-0,59957-94-7,"Thymidine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid","1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione",CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)CP(=O)(O)O)O2)C(=O)NC1=O,CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)CP(=O)(O)O)O2)C(=O)NC1=O,"InChI=1/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-29(22,23)26-28(20,21)5-27(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)",C11H19N2O13P3,,,,,,HEDAITKJNKXWIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.342,261-996-2,59962-29-7,"4-chloro-2,5-dimethylbenzenethiol","4-chloro-2,5-dimethylbenzenethiol",Cc1cc(Cl)c(C)cc1S,Cc1cc(Cl)c(C)cc1S,"InChI=1/C8H9ClS/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3",C8H9ClS,,,,,,OJYSHGUXHULIBN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.361,262-017-1,59997-51-2,"4,4-dimethyl-3-oxovaleronitrile","4,4-dimethyl-3-oxopentanenitrile",CC(C)(C)C(=O)CC#N,CC(C)(C)C(=O)CC#N,"InChI=1/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3",C7H11NO,,,,,,MXZMACXOMZKYHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.006,263-826-2,63059-56-3,"4,5-dichloro-N-ethyl-2-nitroaniline","4,5-dichloro-N-ethyl-2-nitroaniline",CCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-],CCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-],"InChI=1/C8H8Cl2N2O2/c1-2-11-7-3-5(9)6(10)4-8(7)12(13)14/h3-4,11H,2H2,1H3",C8H8Cl2N2O2,,,,,,IYHKPJYDDKJPLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.007,263-827-8,63059-58-5,"N-[2-[2-(acetylamino)phenyl]ethyl]-4-[[4-(diethylamino)-2-methylphenyl]imino]-1,4-dihydro-1-oxonaphthalene-2-carboxamide","N-[2-(2-acetamidophenyl)ethyl]-4-{[4-(diethylamino)-2-methylphenyl]imino}-1-oxo-1,4-dihydronaphthalene-2-carboxamide",CC(=O)Nc4ccccc4CCNC(=O)C/3=C/C(=Nc1ccc(cc1C)N(CC)CC)c2ccccc2C\\3=O,CC(=O)Nc4ccccc4CCNC(=O)C/3=C/C(=Nc1ccc(cc1C)N(CC)CC)c2ccccc2C\3=O,"InChI=1/C32H34N4O3/c1-5-36(6-2)24-15-16-28(21(3)19-24)35-30-20-27(31(38)26-13-9-8-12-25(26)30)32(39)33-18-17-23-11-7-10-14-29(23)34-22(4)37/h7-16,19-20H,5-6,17-18H2,1-4H3,(H,33,39)(H,34,37)",C32H34N4O3,,,,,,XFESIBWPGWHDKC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.008,263-828-3,63059-59-6,"Sodium 2,5-dihydroxy-4-(1-methylheptadecyl)benzenesulphonate","sodium 2,5-dihydroxy-4-(1-methylheptadecyl)benzenesulfonate",[Na+].CCCCCCCCCCCCCCCCC(C)c1cc(O)c(cc1O)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCC(C)c1cc(O)c(cc1O)S(=O)(=O)[O-],"InChI=1/C24H42O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-18-23(26)24(19-22(21)25)30(27,28)29;/h18-20,25-26H,3-17H2,1-2H3,(H,27,28,29);/q;+1/p-1",C24H42O5S.Na,,,,,,XMEZMPZIYXDDJI-UHFFFAOYSA-M,,,,,,,,,,,
100.050.139,255-172-1,41002-50-0,4-oxo-pent-2-en-2-yl acetate,1-methyl-3-oxobut-1-en-1-yl acetate,O=C(C)C=C(C)OC(C)=O,O=C(C)C=C(C)OC(C)=O,"InChI=1/C7H10O3/c1-5(8)4-6(2)10-7(3)9/h4H,1-3H3",C7H10O3,,,,,,LBQVXEZJUOFPFA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.141,255-174-2,41011-48-7,"Disodium 3-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]phenoxy]sulphonyl]benzoate","disodium 3-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]phenoxy}sulfonyl)benzoate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(OS(=O)(=O)c5cccc(c5)C(=O)[O-])cc4)cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(OS(=O)(=O)c5cccc(c5)C(=O)[O-])cc4)cc1S(=O)(=O)[O-],"InChI=1/C27H18N2O10S2.2Na/c28-24-21(40(34,35)36)13-20(22-23(24)26(31)19-7-2-1-6-18(19)25(22)30)29-15-8-10-16(11-9-15)39-41(37,38)17-5-3-4-14(12-17)27(32)33;;/h1-13,29H,28H2,(H,32,33)(H,34,35,36);;/q;2*+1/p-2",C27H18N2O10S2.2Na,,,,,,ZVQOYLSDWMLQIW-UHFFFAOYSA-L,,,,,,,,,,,
100.050.143,255-176-3,41014-96-4,"[R-(R*,R*)]-tartaric acid, iron(2+) salt",iron(2+) tartarate,[Fe+2].O=C([O-])[C@H](O)[C@@H](O)C([O-])=O,[Fe+2].O=C([O-])[C@H](O)[C@@H](O)C([O-])=O,"InChI=1/C4H6O6.Fe/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2",C4H6O6.xFe,,,,,,OHZCFWMJMWFNFP-ZVGUSBNCSA-L,,,,,,,,,,,
100.050.146,255-180-5,41026-17-9,"2,2-dimethylpropane-1,3-diyl cyclohex-4-ene-1,2-dicarboxylate","6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate",CC(C)(COC(=O)C1CC=CCC1C(=O)O)COC(=O)C2CC=CCC2C(=O)[O-],CC(C)(COC(=O)C1CC=CCC1C(=O)O)COC(=O)C2CC=CCC2C(=O)[O-],"InChI=1/C21H28O8/c1-21(2,11-28-19(26)15-9-5-3-7-13(15)17(22)23)12-29-20(27)16-10-6-4-8-14(16)18(24)25/h3-6,13-16H,7-12H2,1-2H3,(H,22,23)(H,24,25)/p-1",C21H28O8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12445,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.146,WYEWIMCFHPCSOP-UHFFFAOYSA-M,,,,,,,,,,,
100.050.147,255-181-0,41031-87-2,(Z)-4-oxo-7-decenal,4-oxodec-7-enal,CC\\C=C/CCC(=O)CCC=O,CC\C=C/CCC(=O)CCC=O,"InChI=1/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h3-4,9H,2,5-8H2,1H3",C10H16O2,,,,,,PYCXUYULQFTHOD-ARJAWSKDSA-N,,,,,,,,,,,
100.050.149,255-183-1,41034-88-2,"N,N-diethyl-3,7-dimethyloct-2-ene-1-amine","N,N-diethyl-3,7-dimethyloct-2-en-1-amine",CC(C)CCCC(C)=CCN(CC)CC,CC(C)CCCC(C)=CCN(CC)CC,"InChI=1/C14H29N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h11,13H,6-10,12H2,1-5H3",C14H29N,,,,,,SWXVCCTXGINQIB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.152,255-186-8,41044-12-6,7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2-benzopyrone,7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C,"InChI=1/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3",C21H21N3O2,,,,,,KZFUMWVJJNDGAU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.157,255-192-0,41051-80-3,"N,N-diethyl-3-(trimethoxysilyl)propylamine","N,N-diethyl-3-(trimethoxysilyl)propan-1-amine",CCN(CC)CCC[Si](OC)(OC)OC,CCN(CC)CCC[Si](OC)(OC)OC,"InChI=1/C10H25NO3Si/c1-6-11(7-2)9-8-10-15(12-3,13-4)14-5/h6-10H2,1-5H3",C10H25NO3Si,,,,,,ZLDHYRXZZNDOKU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.927,257-139-7,51333-22-3,Budesonide,"6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one",OCC(=O)[C@@]53O[C@H](CCC)O[C@@H]5C[C@H]2[C@@H]4CC\\C1=C\\C(=O)\\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C,OCC(=O)[C@@]53O[C@H](CCC)O[C@@H]5C[C@H]2[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C,"InChI=1/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3",C25H34O6,,,,,,VOVIALXJUBGFJZ-VXKMTNQYSA-N,,,,,,,,,,,
100.051.928,257-140-2,51334-03-3,"Tetrakis(2,3-epoxypropyl) cyclohexane-1,1,3,3-tetrapropionate","tetrakis(oxiran-2-ylmethyl) 3,3',3'',3'''-cyclohexane-1,1,3,3-tetrayltetrapropanoate",O=C(CCC1(CCC(=O)OCC2CO2)CCCC(CCC(=O)OCC3CO3)(CCC(=O)OCC4CO4)C1)OCC5CO5,O=C(CCC1(CCC(=O)OCC2CO2)CCCC(CCC(=O)OCC3CO3)(CCC(=O)OCC4CO4)C1)OCC5CO5,"InChI=1/C30H44O12/c31-25(39-16-21-12-35-21)2-8-29(9-3-26(32)40-17-22-13-36-22)6-1-7-30(20-29,10-4-27(33)41-18-23-14-37-23)11-5-28(34)42-19-24-15-38-24/h21-24H,1-20H2",C30H42O13,,,,,,HOPBTWCXHDBJFB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.932,257-144-4,51348-90-4,"(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl (1R-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,CC(=CC1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,"InChI=1/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3",C19H25NO4,,,,,,CXBMCYHAMVGWJQ-LOACHALJSA-N,,,,,,,,,,,
100.051.935,257-148-6,51350-73-3,Trihydrogen hexafluoroaluminate,hexafluoroaluminate(3-),F[Al-3](F)(F)(F)(F)F,F[Al-3](F)(F)(F)(F)F,"InChI=1/Al.6FH/h;6*1H/q+3;;;;;;/p-6/rAlF6/c2-1(3,4,5,6)7/q-3",AlF6.3H,,,,,,SEGUCIUJQMRTGG-UHFFFAOYSA-H,,,,,,,,,,,
100.052.170,257-405-2,51772-30-6,3'-methylpropiophenone,1-(3-methylphenyl)propan-1-one,CCC(=O)c1cccc(C)c1,CCC(=O)c1cccc(C)c1,"InChI=1/C10H12O/c1-3-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",C10H12O,,,,,,QHVNQIJBHWOZRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.177,257-413-6,51774-11-9,Isoheptan-1-ol,5-methylhexan-1-ol,CC(C)CCCCO,CC(C)CCCCO,"InChI=1/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3",C7H16O,,,,,,ZVHAANQOQZVVFD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.178,257-414-1,51776-97-7,"1,4-dihydro-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid","4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid",OC(=O)C1=CNc2cc(ccc2C1=O)C(F)(F)F,OC(=O)C1=CNc2cc(ccc2C1=O)C(F)(F)F,"InChI=1/C11H6F3NO3/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18/h1-4H,(H,15,16)(H,17,18)",C11H6F3NO3,,,,,,BIRIVPOTERXIOW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.185,257-422-5,51787-96-3,<U+03B3>-(4-fluorophenyl)-<U+03B3>-butyrolactone,5-(4-fluorophenyl)dihydrofuran-2(3H)-one,Fc1ccc(cc1)C2CCC(=O)O2,Fc1ccc(cc1)C2CCC(=O)O2,"InChI=1/C10H9FO2/c11-8-3-1-7(2-4-8)9-5-6-10(12)13-9/h1-4,9H,5-6H2",C10H9FO2,,,,,,RMFNZGXVLAUJHF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.189,257-426-7,51798-45-9,"L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(1-carboxy-3-methylbutyl)amino]carbonyl]glycyl-N1-(1-methyl-2-oxoethyl)-L-glutamamide, stereoisomer","N-[(1-carboxy-3-methylbutyl)carbamoyl]glycyl-2-(2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)-N~1~-(1-methyl-2-oxoethyl)glutamamide",CC(C)CC(NC(=O)NCC(=O)NC(CCC(=O)N)(C1CCNC(=N1)N)C(=O)NC(C)C=O)C(=O)O,CC(C)CC(NC(=O)NCC(=O)NC(CCC(=O)N)(C1CCNC(=N1)N)C(=O)NC(C)C=O)C(=O)O,"InChI=1/C21H36N8O7/c1-11(2)8-13(17(33)34)27-20(36)25-9-16(32)29-21(6-4-15(22)31,18(35)26-12(3)10-30)14-5-7-24-19(23)28-14/h10-14H,4-9H2,1-3H3,(H2,22,31)(H,26,35)(H,29,32)(H,33,34)(H3,23,24,28)(H2,25,27,36)",C21H36N8O7,,,,,,LFSCJWGKBOSDAO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.197,257-435-6,51806-83-8,5-ethyl-4-methylthiazol-2(3H)-one,"5-ethyl-4-methyl-1,3-thiazol-2(3H)-one",CCC1=C(C)NC(=O)S1,CCC1=C(C)NC(=O)S1,"InChI=1/C6H9NOS/c1-3-5-4(2)7-6(8)9-5/h3H2,1-2H3,(H,7,8)",C6H9NOS,,,,,,SLOWPSHRECMDQM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.201,257-439-8,51812-79-4,N-[3-(dimethylamino)propyl]-D-gluconamide,"N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CN(C)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CN(C)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C11H24N2O6/c1-13(2)5-3-4-12-11(19)10(18)9(17)8(16)7(15)6-14/h7-10,14-18H,3-6H2,1-2H3,(H,12,19)",C11H24N2O6,,,,,,ZRQLLXVNSJXTAP-DOLQZWNJSA-N,,,,,,,,,,,
100.052.204,257-442-4,51815-14-6,"Octyl (Z,Z,Z)-6-butyl-6-[[4-(octyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannaicosa-2,9-dienoate","octyl 6-butyl-6-{[4-(octyloxy)-4-oxobut-2-enoyl]oxy}-4,8,11-trioxo-5,7,12-trioxa-6-stannaicosa-2,9-dien-1-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCC)CCCC)\\C=C/C(=O)OCCCCCCCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCC)CCCC)\C=C/C(=O)OCCCCCCCC,"InChI=1/3C12H20O4.C4H9.Sn/c3*1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14;1-3-4-2;/h3*8-9H,2-7,10H2,1H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3/rC40H66O12Sn/c1-5-9-13-16-19-22-31-47-35(41)25-28-38(44)50-53(34-12-8-4,51-39(45)29-26-36(42)48-32-23-20-17-14-10-6-2)52-40(46)30-27-37(43)49-33-24-21-18-15-11-7-3/h25-30H,5-24,31-34H2,1-4H3",C40H66O12Sn,,,,,,TWRHTSNKOKOGCZ-WFTKVDHJSA-K,,,,,,,,,,,
100.052.205,257-444-5,51818-35-0,1-amino-2-bromo-4-[[3-(dimethylamino)propyl]amino]anthraquinone,"1-amino-2-bromo-4-{[3-(dimethylamino)propyl]amino}-9,10-anthraquinone",CN(C)CCCNc1cc(Br)c(N)c2C(=O)c3ccccc3C(=O)c12,CN(C)CCCNc1cc(Br)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H20BrN3O2/c1-23(2)9-5-8-22-14-10-13(20)17(21)16-15(14)18(24)11-6-3-4-7-12(11)19(16)25/h3-4,6-7,10,22H,5,8-9,21H2,1-2H3",C19H20BrN3O2,,,,,,PYNSDZJYUOHMQC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.079,255-106-1,40843-73-0,"4-(2,4-dichlorophenoxy)phenol","4-(2,4-dichlorophenoxy)phenol",Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,"InChI=1/C12H8Cl2O2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H",C12H8Cl2O2,,,,,,DPRSKCAGYLXDCY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.081,255-108-2,40849-48-7,"(R)-a-aminocyclohexa-1,4-diene-1-acetyl chloride hydrochloride","amino(cyclohexa-1,4-dien-1-yl)acetyl chloride hydrochloride",Cl.N[C@@H](C(=O)Cl)C1=CCC=CC1,Cl.N[C@@H](C(=O)Cl)C1=CCC=CC1,"InChI=1/C8H10ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-2,5,7H,3-4,10H2;1H",C8H10ClNO.ClH,,,,,,DLDIEAJVIRFDHY-OGFXRTJISA-N,,,,,,,,,,,
100.050.083,255-110-3,40851-65-8,[2-(aminomethyl)phenyl]acetic acid,[2-(aminomethyl)phenyl]acetic acid,NCc1ccccc1CC(=O)O,NCc1ccccc1CC(=O)O,"InChI=1/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)",C9H11NO2,,,,,,VLOIVYPDUSVCLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.084,255-111-9,40853-53-0,2-isopropyl-5-methylhex-2-en-1-ol,2-isopropyl-5-methylhex-2-en-1-ol,CC(C)CC=C(CO)C(C)C,CC(C)CC=C(CO)C(C)C,"InChI=1/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h6,8-9,11H,5,7H2,1-4H3",C10H20O,,,,,,VUGJPGPMYGKRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.087,255-115-0,40856-07-3,Difluoromethanesulphonic acid,difluoromethanesulfonic acid,OS(=O)(=O)C(F)F,OS(=O)(=O)C(F)F,"InChI=1/CH2F2O3S/c2-1(3)7(4,5)6/h1H,(H,4,5,6)",CH2F2O3S,,,,,,CGDXUTMWWHKMOE-UHFFFAOYSA-N,,,,,,,,,,,
100.058.230,264-073-2,63294-54-2,2-(hexyloxy)ethyl dihydrogen phosphate,2-(hexyloxy)ethyl dihydrogen phosphate,CCCCCCOCCOP(=O)(O)O,CCCCCCOCCOP(=O)(O)O,"InChI=1/C8H19O5P/c1-2-3-4-5-6-12-7-8-13-14(9,10)11/h2-8H2,1H3,(H2,9,10,11)",C8H19O5P,,,,,,LTHORJNUXJXZCK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.243,264-087-9,63302-95-4,Bis[(1-methyl-1-phenylethyl)phenyl] phenyl phosphate,bis[2-(1-methyl-1-phenylethyl)phenyl] phenyl phosphate,CC(C)(c1ccccc1)c2ccccc2OP(=O)(Oc3ccccc3)Oc4ccccc4C(C)(C)c5ccccc5,CC(C)(c1ccccc1)c2ccccc2OP(=O)(Oc3ccccc3)Oc4ccccc4C(C)(C)c5ccccc5,"InChI=1/C36H35O4P/c1-35(2,28-18-8-5-9-19-28)31-24-14-16-26-33(31)39-41(37,38-30-22-12-7-13-23-30)40-34-27-17-15-25-32(34)36(3,4)29-20-10-6-11-21-29/h5-27H,1-4H3",C36H35O4P,,,,,,JSTUKMRYYAHONK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.249,264-094-7,63314-81-8,2-hydroxyethyl 2-methyl-2-[(1-oxoallyl)amino]propanesulphonate,2-hydroxyethyl 2-(acryloylamino)-2-methylpropane-1-sulfonate,CC(C)(CS(=O)(=O)OCCO)NC(=O)C=C,CC(C)(CS(=O)(=O)OCCO)NC(=O)C=C,"InChI=1/C9H17NO5S/c1-4-8(12)10-9(2,3)7-16(13,14)15-6-5-11/h4,11H,1,5-7H2,2-3H3,(H,10,12)",C9H17NO5S,,,,,,QFRFTEYGNDTAHA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.880,265-887-0,65705-50-2,"Diethyl 2-aminononane-1,9-dioate",diethyl 2-aminononanedioate,CCOC(=O)CCCCCCC(N)C(=O)OCC,CCOC(=O)CCCCCCC(N)C(=O)OCC,"InChI=1/C13H25NO4/c1-3-17-12(15)10-8-6-5-7-9-11(14)13(16)18-4-2/h11H,3-10,14H2,1-2H3",C13H25NO4,,,,,,YHIMFWJZBVHIPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.599,265-578-0,65156-98-1,"9-(1,1-dimethylpropyl)-1,5-dioxaspiro[5.5]undecane","9-(1,1-dimethylpropyl)-1,5-dioxaspiro[5.5]undecane",CCC(C)(C)C1CCC2(CC1)OCCCO2,CCC(C)(C)C1CCC2(CC1)OCCCO2,"InChI=1/C14H26O2/c1-4-13(2,3)12-6-8-14(9-7-12)15-10-5-11-16-14/h12H,4-11H2,1-3H3",C14H26O2,,,,,,SBNZDZRTYKBQSF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.610,265-590-6,65168-20-9,"Disodium 7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonate","disodium 7-hydroxy-8-({4'-[(4-hydroxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].Oc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].Oc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,"InChI=1/C30H24N4O8S2.2Na/c1-17-13-19(3-10-25(17)32-31-22-6-8-23(35)9-7-22)20-4-11-26(18(2)14-20)33-34-30-27(36)12-5-21-15-24(43(37,38)39)16-28(29(21)30)44(40,41)42;;/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H24N4O8S2.2Na,,,,,,PZENUETZKKBROI-UHFFFAOYSA-L,,,,,,,,,,,
100.059.613,265-593-2,65175-29-3,4-[[[4-(dimethylamino)phenyl]methylene]amino]-N-ethyl-N-phenyltoluene-2-sulphonamide,5-{[4-(dimethylamino)benzylidene]amino}-N-ethyl-2-methyl-N-phenylbenzenesulfonamide,CN(C)c3ccc(C=Nc1ccc(C)c(c1)S(=O)(=O)N(CC)c2ccccc2)cc3,CN(C)c3ccc(C=Nc1ccc(C)c(c1)S(=O)(=O)N(CC)c2ccccc2)cc3,"InChI=1/C24H27N3O2S/c1-5-27(23-9-7-6-8-10-23)30(28,29)24-17-21(14-11-19(24)2)25-18-20-12-15-22(16-13-20)26(3)4/h6-18H,5H2,1-4H3",C24H27N3O2S,,,,,,BSNGBUCLOVHXSV-UHFFFAOYSA-N,,,,,,,,,,,
100.056.267,261-914-5,59753-16-1,Lithium 2-thenoate,lithium thiophene-2-carboxylate,[Li+].[O-]C(=O)c1cccs1,[Li+].[O-]C(=O)c1cccs1,"InChI=1/C5H4O2S.Li/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1",C5H4O2S.Li,,,,,,SQEHCNOBYLQFTG-UHFFFAOYSA-M,,,,,,,,,,,
100.056.278,261-926-0,59776-88-4,Methyl 2-oxopyrrolidin-1-acetate,methyl (2-oxopyrrolidin-1-yl)acetate,COC(=O)CN1CCCC1=O,COC(=O)CN1CCCC1=O,"InChI=1/C7H11NO3/c1-11-7(10)5-8-4-2-3-6(8)9/h2-5H2,1H3",C7H11NO3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6445,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.278,HPDZYDTXCOFUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.296,261-945-4,59831-61-7,"Salicylic acid, compound with 3-[(1-benzyl-1H-indazol-3-yl)oxy]-N,N-dimethylpropylamine (1:1)","2-hydroxybenzoic acid - 3-[(1-benzyl-1H-indazol-3-yl)oxy]-N,N-dimethylpropan-1-amine (1:1)",CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13.OC(=O)c4ccccc4O,CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13.OC(=O)c4ccccc4O,"InChI=1/C19H23N3O.C7H6O3/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;8-6-4-2-1-3-5(6)7(9)10/h3-7,9-12H,8,13-15H2,1-2H3;1-4,8H,(H,9,10)",C19H23N3O.C7H6O3,,,,,,MMGMKRLMAKKJLE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.298,261-948-0,59836-87-2,Diethylmethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium bromide,"N,N-diethyl-2-(methacryloyloxy)-N-methylethanaminium bromide",[Br-].CC[N+](C)(CC)CCOC(=O)C(=C)C,[Br-].CC[N+](C)(CC)CCOC(=O)C(=C)C,"InChI=1/C11H22NO2.BrH/c1-6-12(5,7-2)8-9-14-11(13)10(3)4;/h3,6-9H2,1-2,4-5H3;1H/q+1;/p-1",C11H22NO2.Br,,,,,,OVPZVYPVKVHQLZ-UHFFFAOYSA-M,,,,,,,,,,,
100.056.304,261-954-3,59848-69-0,"3,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran","2-isobutyl-4-methyl-3,6-dihydro-2H-pyran",CC(C)CC1CC(=CCO1)C,CC(C)CC1CC(=CCO1)C,"InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,8,10H,5-7H2,1-3H3",C10H18O,,,,,,GQJUQRHPTSAQNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.306,261-956-4,59850-84-9,"2,4,6-trichlorophenyl 5-oxo-L-prolinate","2,4,6-trichlorophenyl 5-oxo-L-prolinate",Clc1cc(Cl)c(OC(=O)[C@@H]2CCC(=O)N2)c(Cl)c1,Clc1cc(Cl)c(OC(=O)[C@@H]2CCC(=O)N2)c(Cl)c1,"InChI=1/C11H8Cl3NO3/c12-5-3-6(13)10(7(14)4-5)18-11(17)8-1-2-9(16)15-8/h3-4,8H,1-2H2,(H,15,16)",C11H8Cl3NO3,,,,,,AXAMGQGRJNJYQZ-QMMMGPOBSA-N,,,,,,,,,,,
100.056.308,261-959-0,59855-05-9,4-(5-pentylpyrimidin-2-yl)benzonitrile,4-(5-pentylpyrimidin-2-yl)benzonitrile,CCCCCc1cnc(nc1)c2ccc(cc2)C#N,CCCCCc1cnc(nc1)c2ccc(cc2)C#N,"InChI=1/C16H17N3/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,11-12H,2-5H2,1H3",C16H17N3,,,,,,RGONNDWSVOCREF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.016,263-837-2,63068-97-3,1-(dichlorophenylmethyl)-4-nitrobenzene,1-[dichloro(phenyl)methyl]-4-nitrobenzene,[O-][N+](=O)c1ccc(cc1)C(Cl)(Cl)c2ccccc2,[O-][N+](=O)c1ccc(cc1)C(Cl)(Cl)c2ccccc2,"InChI=1/C13H9Cl2NO2/c14-13(15,10-4-2-1-3-5-10)11-6-8-12(9-7-11)16(17)18/h1-9H",C13H9Cl2NO2,,,,,,QQXNXLXYPCALKG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.928,265-940-8,65846-92-6,"1,3-bis(2-hydroxyethyl)imidazolidine-2-thione","1,3-bis(2-hydroxyethyl)imidazolidine-2-thione",OCCN1CCN(CCO)C1=S,OCCN1CCN(CCO)C1=S,"InChI=1/C7H14N2O2S/c10-5-3-8-1-2-9(4-6-11)7(8)12/h10-11H,1-6H2",C7H14N2O2S,,,,,,QVHIWXDSSWDUPR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.929,265-941-3,65848-22-8,"N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[2-[(2-methoxyethyl)amino]-2-oxoethoxy]naphthalene-1-carboxamide","N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-4-{2-[(2-methoxyethyl)amino]-2-oxoethoxy}-1,2-dihydronaphthalene-1-carboxamide",CCC(C)(C)c1ccc(OCCCCNC(=O)C2(O)CC=C(OCC(=O)NCCOC)c3ccccc23)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCCNC(=O)C2(O)CC=C(OCC(=O)NCCOC)c3ccccc23)c(c1)C(C)(C)CC,"InChI=1/C36H52N2O6/c1-8-34(3,4)26-16-17-31(29(24-26)35(5,6)9-2)43-22-13-12-20-38-33(40)36(41)19-18-30(27-14-10-11-15-28(27)36)44-25-32(39)37-21-23-42-7/h10-11,14-18,24,41H,8-9,12-13,19-23,25H2,1-7H3,(H,37,39)(H,38,40)",C36H50N2O6,,,,,,FJHUFSIAXILXDF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.930,265-942-9,65848-23-9,"N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[2-[(2-hydroxyethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide","N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-4-{2-[(2-hydroxyethyl)amino]-2-oxoethoxy}-2-naphthamide",CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(OCC(=O)NCCO)c3ccccc3c2O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(OCC(=O)NCCO)c3ccccc3c2O)c(c1)C(C)(C)CC,"InChI=1/C35H48N2O6/c1-7-34(3,4)24-15-16-29(28(21-24)35(5,6)8-2)42-20-12-11-17-37-33(41)27-22-30(43-23-31(39)36-18-19-38)25-13-9-10-14-26(25)32(27)40/h9-10,13-16,21-22,38,40H,7-8,11-12,17-20,23H2,1-6H3,(H,36,39)(H,37,41)",C35H48N2O6,,,,,,NLUWKRMIQAHZIR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.951,265-965-4,65886-46-6,"Phenol, compound with trimethylamine (1:1)","phenol - N,N-dimethylmethanamine (1:1)",CN(C)C.Oc1ccccc1,CN(C)C.Oc1ccccc1,"InChI=1/C6H6O.C3H9N/c7-6-4-2-1-3-5-6;1-4(2)3/h1-5,7H;1-3H3",C6H6O.C3H9N,,,,,,YLKXGVSMBYZCSB-UHFFFAOYSA-N,,,,,,,,,,,
100.059.953,265-968-0,65894-82-8,"2-sec-butyl-4,5-dimethyl-2,5-dihydrothiazole","2-sec-butyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole",CCC(C)C1SC(C)C(=N1)C,CCC(C)C1SC(C)C(=N1)C,"InChI=1/C9H17NS/c1-5-6(2)9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3",C9H17NS,,,,,,FLBOQJFNAYJWIA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.961,265-976-4,65915-94-8,tert-butyl (6-aminohexyl)carbamate monohydrochloride,tert-butyl (6-aminohexyl)carbamate hydrochloride,Cl.CC(C)(C)OC(=O)NCCCCCCN,Cl.CC(C)(C)OC(=O)NCCCCCCN,"InChI=1/C11H24N2O2.ClH/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3,(H,13,14);1H",C11H24N2O2.ClH,,,,,,JSBWQIZQJOQPFN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.185,267-324-4,67845-53-8,"[4-(1,1-dimethylethyl)-2-methylphenoxy]acetaldehyde",(4-tert-butyl-2-methylphenoxy)acetaldehyde,Cc1cc(ccc1OCC=O)C(C)(C)C,Cc1cc(ccc1OCC=O)C(C)(C)C,"InChI=1/C13H18O2/c1-10-9-11(13(2,3)4)5-6-12(10)15-8-7-14/h5-7,9H,8H2,1-4H3",C13H18O2,,,,,,FNNIBABFMNWSRX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.200,267-341-7,67845-92-5,"Octane-1,8-diyl bis(2,2,6,6-tetramethylpiperidine-4-carboxylate)","octane-1,8-diyl bis(2,2,6,6-tetramethylpiperidine-4-carboxylate)",CC1(C)CC(CC(C)(C)N1)C(=O)OCCCCCCCCOC(=O)C2CC(C)(C)NC(C)(C)C2,CC1(C)CC(CC(C)(C)N1)C(=O)OCCCCCCCCOC(=O)C2CC(C)(C)NC(C)(C)C2,"InChI=1/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)23(31)33-15-13-11-9-10-12-14-16-34-24(32)22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3",C28H52N2O4,,,,,,VARGBNQSQQAYGN-UHFFFAOYSA-N,,,,,,,,,,,
100.061.204,267-345-9,67845-96-9,"[4-[(4,5-dimethylhexyl)oxy]-2-hydroxyphenyl] phenyl ketone","{4-[(4,5-dimethylhexyl)oxy]-2-hydroxyphenyl}(phenyl)methanone",CC(C)C(C)CCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CC(C)C(C)CCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C21H26O3/c1-15(2)16(3)8-7-13-24-18-11-12-19(20(22)14-18)21(23)17-9-5-4-6-10-17/h4-6,9-12,14-16,22H,7-8,13H2,1-3H3",C21H26O3,,,,,,DTRYYUXYDJOSKA-UHFFFAOYSA-N,,,,,,,,,,,
100.061.214,267-356-9,67846-10-0,"1,2-dibenzyl hydrogen benzene-1,2,4-tricarboxylate","3,4-bis[(benzyloxy)carbonyl]benzoic acid",OC(=O)c1ccc(C(=O)OCc2ccccc2)c(c1)C(=O)OCc3ccccc3,OC(=O)c1ccc(C(=O)OCc2ccccc2)c(c1)C(=O)OCc3ccccc3,"InChI=1/C23H18O6/c24-21(25)18-11-12-19(22(26)28-14-16-7-3-1-4-8-16)20(13-18)23(27)29-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,25)",C23H18O6,,,,,,DCFMBJGEQFRYCO-UHFFFAOYSA-N,,,,,,,,,,,
100.061.222,267-365-8,67846-42-8,"Tetraethyl 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(phthalate)","tetraethyl 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphthalate",CCOC(=O)c1ccc(cc1C(=O)OCC)C(c2ccc(C(=O)OCC)c(c2)C(=O)OCC)(C(F)(F)F)C(F)(F)F,CCOC(=O)c1ccc(cc1C(=O)OCC)C(c2ccc(C(=O)OCC)c(c2)C(=O)OCC)(C(F)(F)F)C(F)(F)F,"InChI=1/C27H26F6O8/c1-5-38-21(34)17-11-9-15(13-19(17)23(36)40-7-3)25(26(28,29)30,27(31,32)33)16-10-12-18(22(35)39-6-2)20(14-16)24(37)41-8-4/h9-14H,5-8H2,1-4H3",C27H26F6O8,,,,,,SHDCCUHYEVELSX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.223,267-366-3,67846-43-9,Sodium 1-methyl 10-(sulphooxy)octadecanoate,-,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OC)OS(=O)(=O)O,[Na+].CCCCCCCCC(CCCCCCCCC(=O)OC)OS(=O)(=O)O,"InChI=1/C19H38O6S.Na/c1-3-4-5-6-9-12-15-18(25-26(21,22)23)16-13-10-7-8-11-14-17-19(20)24-2;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1",C19H38O6S.Na,,,,,,XARKOXAKILDMOE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.938,257-151-2,51357-74-5,"4-amino-3,6-bis[[4-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-3,6-bis{[4-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S(O)(=O)=O)Nc5nc(Nc4cccc(c4)S(O)(=O)=O)nc(Cl)n5)c(O)c6c7N)S(O)(=O)=O)S(O)(=O)=O)c(c8)S(O)(=O)=O,OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S(O)(=O)=O)Nc5nc(Nc4cccc(c4)S(O)(=O)=O)nc(Cl)n5)c(O)c6c7N)S(O)(=O)=O)S(O)(=O)=O)c(c8)S(O)(=O)=O,"InChI=1/C40H29Cl2N15O19S6/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53)",C40H29Cl2N15O19S6,,,,,,XYDRRDJXSZKEAP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.940,257-153-3,51363-64-5,Diisodecyl phenyl phosphate,bis(8-methylnonyl) phenyl phosphate,CC(C)CCCCCCCOP(=O)(OCCCCCCCC(C)C)Oc1ccccc1,CC(C)CCCCCCCOP(=O)(OCCCCCCCC(C)C)Oc1ccccc1,"InChI=1/C26H47O4P/c1-24(2)18-12-7-5-9-16-22-28-31(27,30-26-20-14-11-15-21-26)29-23-17-10-6-8-13-19-25(3)4/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3",C26H47O4P,,,,,,JTNKWPDPEXRFOV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.943,257-157-5,51367-70-5,4-(tert-butyl)-a-methylcyclohexanepropionaldehyde,3-(4-tert-butylcyclohexyl)-2-methylpropanal,CC(CC1CCC(CC1)C(C)(C)C)C=O,CC(CC1CCC(CC1)C(C)(C)C)C=O,"InChI=1/C14H26O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h10-13H,5-9H2,1-4H3",C14H26O,,,,,,NIBKYVCIGOGNON-UHFFFAOYSA-N,,,,,,,,,,,
100.051.953,257-168-5,51386-59-5,(6-chloro-3-nitro-2-pyridyl) (2-chlorophenyl) ketone,(6-chloro-3-nitropyridin-2-yl)(2-chlorophenyl)methanone,[O-][N+](=O)c1ccc(Cl)nc1C(=O)c2ccccc2Cl,[O-][N+](=O)c1ccc(Cl)nc1C(=O)c2ccccc2Cl,InChI=1/C12H6Cl2N2O3/c13-8-4-2-1-3-7(8)12(17)11-9(16(18)19)5-6-10(14)15-11/h1-6H,C12H6Cl2N2O3,,,,,,BWMAKFKFMNSLGT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.954,257-169-0,51387-90-7,1-methylpyrrolidine-2-ethylamine,2-(1-methylpyrrolidin-2-yl)ethanamine,CN1CCCC1CCN,CN1CCCC1CCN,"InChI=1/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3",C7H16N2,,,,,,PNHGJPJOMCXSKN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.963,257-179-5,51407-21-7,"(±)-(1a,2a,5a)-5-(isopropyl)-2-methylcyclohexyl acetate",5-isopropyl-2-methylcyclohexyl acetate,CC(C)C1CCC(C)C(C1)OC(=O)C,CC(C)C1CCC(C)C(C1)OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,JAKFDYGDDRCJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.900,253-809-8,38163-38-1,Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate,methyl 2-(isobutyrylamino)benzoate,COC(=O)c1ccccc1NC(=O)C(C)C,COC(=O)c1ccccc1NC(=O)C(C)C,"InChI=1/C12H15NO3/c1-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16-3/h4-8H,1-3H3,(H,13,14)",C12H15NO3,,,,,,ZRMIWTLFLJOOPM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.903,253-812-4,38183-03-8,"7,8-dihydroxy-2-phenyl-4-benzopyrone","7,8-dihydroxy-2-phenyl-4H-chromen-4-one",Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3,Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3,"InChI=1/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H",C15H10O4,,,,,,COCYGNDCWFKTMF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.916,253-827-6,38205-61-7,"5-ethyl-2,4-dimethylthiazole","5-ethyl-2,4-dimethyl-1,3-thiazole",CCc1sc(C)nc1C,CCc1sc(C)nc1C,"InChI=1/C7H11NS/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3",C7H11NS,,,,,,DALUCNUGMDNXET-UHFFFAOYSA-N,,,,,,,,,,,
100.048.917,253-828-1,38207-56-6,"N,N'-didocosyladipamide","N,N'-didocosylhexanediamide",CCCCCCCCCCCCCCCCCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C50H100N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-47-51-49(53)45-41-42-46-50(54)52-48-44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3,(H,51,53)(H,52,54)",C50H100N2O2,,,,,,QJSDGYWDRSAVIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.920,253-831-8,38218-87-0,"Citric acid, copper sodium salt",copper(1+) sodium 2-(carboxymethyl)-2-hydroxysuccinate,[Na+].[Cu+].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],[Na+].[Cu+].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Cu.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2",C6H8O7.xCu.xNa,,,,,,OFFXOAFOXHNZRU-UHFFFAOYSA-L,,,,,,,,,,,
100.052.252,257-495-3,51888-09-6,2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine dimethanesulphonate,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine dimethanesulfonate,CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.CS(=O)(=O)O.CS(=O)(=O)O,CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.CS(=O)(=O)O.CS(=O)(=O)O,"InChI=1/C20H24ClN3S.2CH4O3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;2*1H3,(H,2,3,4)",C20H24ClN3S.2CH4O3S,,,,,,BTOOUKJFDLARFG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.255,257-499-5,51895-55-7,N-[3-(tributoxysilyl)propyl]ethylenediamine,"N-[3-(tributoxysilyl)propyl]ethane-1,2-diamine",CCCCO[Si](CCCNCCN)(OCCCC)OCCCC,CCCCO[Si](CCCNCCN)(OCCCC)OCCCC,"InChI=1/C17H40N2O3Si/c1-4-7-14-20-23(21-15-8-5-2,22-16-9-6-3)17-10-12-19-13-11-18/h19H,4-18H2,1-3H3",C17H40N2O3Si,,,,,,UTQYJVXHFBBNJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.256,257-500-9,51896-80-1,"2,2'-[(methylphenyl)imino]bisethanol","2,2'-[(2-methylphenyl)imino]diethanol",Cc1ccccc1N(CCO)CCO,Cc1ccccc1N(CCO)CCO,"InChI=1/C11H17NO2/c1-10-4-2-3-5-11(10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3",C11H17NO2,,,,,,LWAFETVQZHKDIS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.090,255-118-7,40861-29-8,Diammonium zinc biscarbonate,diammonium zinc biscarbonate,[NH4+].[NH4+].[Zn+2].[O-]C(=O)[O-].[O-]C(=O)[O-],[NH4+].[NH4+].[Zn+2].[O-]C(=O)[O-].[O-]C(=O)[O-],"InChI=1/2CH2O3.2H3N.Zn/c2*2-1(3)4;;;/h2*(H2,2,3,4);2*1H3;/q;;;;+2/p-2",CH2O3.H3N.1/2Zn,,,,,,HHICRQHZPBOQPI-UHFFFAOYSA-L,,,,,,,,,,,
100.050.101,255-130-2,40887-80-7,3-bromophenylhydrazine,(3-bromophenyl)hydrazine,NNc1cccc(Br)c1,NNc1cccc(Br)c1,"InChI=1/C6H7BrN2/c7-5-2-1-3-6(4-5)9-8/h1-4,9H,8H2",C6H7BrN2,,,,,,PESJTQQZJJTNOC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.113,255-143-3,40928-84-5,"2,5-diethyl-1,3,4-thiadiazole","2,5-diethyl-1,3,4-thiadiazole",CCc1nnc(CC)s1,CCc1nnc(CC)s1,"InChI=1/C6H10N2S/c1-3-5-7-8-6(4-2)9-5/h3-4H2,1-2H3",C6H10N2S,,,,,,BXVZVOBTUSLCIO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.115,255-145-4,40939-03-5,1-(4-chlorobenzylthio)acetone,1-[(4-chlorobenzyl)sulfanyl]acetone,CC(=O)CSCc1ccc(Cl)cc1,CC(=O)CSCc1ccc(Cl)cc1,"InChI=1/C10H11ClOS/c1-8(12)6-13-7-9-2-4-10(11)5-3-9/h2-5H,6-7H2,1H3",C10H11ClOS,,,,,,JNFWNBVDFWSOQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.433,258-796-2,53815-74-0,"3-amino-2,1-benzisothiazole-5-sulphonic acid","3-amino-2,1-benzisothiazole-5-sulfonic acid",Nc1snc2ccc(cc12)S(=O)(=O)O,Nc1snc2ccc(cc12)S(=O)(=O)O,"InChI=1/C7H6N2O3S2/c8-7-5-3-4(14(10,11)12)1-2-6(5)9-13-7/h1-3H,8H2,(H,10,11,12)",C7H6N2O3S2,,,,,,AOVDONCOLZOGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.453,258-818-0,53834-70-1,"(E)-3,7-dimethylocta-1,5,7-trien-3-ol","3,7-dimethylocta-1,5,7-trien-3-ol",CC(=C)\\C=C\\CC(C)(O)C=C,CC(=C)\C=C\CC(C)(O)C=C,"InChI=1/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3",C10H16O,,,,,,ZJIQIJIQBTVTDY-VOTSOKGWSA-N,,,,,,,,,,,
100.053.459,258-824-3,53859-67-9,Propyl ethyldithiocarbamate,propyl ethyldithiocarbamate,CCCSC(=S)NCC,CCCSC(=S)NCC,"InChI=1/C6H13NS2/c1-3-5-9-6(8)7-4-2/h3-5H2,1-2H3,(H,7,8)",C6H13NS2,,,,,,DHHZMMARLMPOOK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.462,258-828-5,53864-01-0,"Bis[(1,1-dimethylallyl)oxy]methylphenylsilane","{bis[(1,1-dimethylprop-2-en-1-yl)oxy]methyl}(phenyl)silane",CC(C)(OC(OC(C)(C)C=C)[SiH2]c1ccccc1)C=C,CC(C)(OC(OC(C)(C)C=C)[SiH2]c1ccccc1)C=C,"InChI=1/C17H26O2Si/c1-7-16(3,4)18-15(19-17(5,6)8-2)20-14-12-10-9-11-13-14/h7-13,15H,1-2,20H2,3-6H3",C17H22O2Si,,,,,,PCFPMYHNVYJWLY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.467,258-833-2,53874-68-3,1-(dichloromethyl)-3-phenoxybenzene,1-(dichloromethyl)-3-phenoxybenzene,ClC(Cl)c1cccc(Oc2ccccc2)c1,ClC(Cl)c1cccc(Oc2ccccc2)c1,"InChI=1/C13H10Cl2O/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9,13H",C13H10Cl2O,,,,,,JOVSDWRNVGOQNK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.469,258-835-3,53880-86-7,Dimethyldiphenylthioperoxydicarbamic acid,1-methyl-4-[({[(4-methylphenyl)carbamothioyl]disulfanyl}carbonothioyl)amino]benzene,Cc1ccc(NC(=S)SSC(=S)Nc2ccc(C)cc2)cc1,Cc1ccc(NC(=S)SSC(=S)Nc2ccc(C)cc2)cc1,"InChI=1/C16H16N2S4/c1-11-3-7-13(8-4-11)17-15(19)21-22-16(20)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)(H,18,20)",C16H16N2S4,,,,,,DKIOSBCZGFSSFK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.471,258-837-4,53885-35-1,"5-(o-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridinium chloride","5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride",[Cl-].Clc1ccccc1C[NH+]2CCc3sccc3C2,[Cl-].Clc1ccccc1C[NH+]2CCc3sccc3C2,"InChI=1/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H",C14H14ClNS.ClH,,,,,,MTKNGOHFNXIVOS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.865,253-770-7,38066-16-9,Diethyl [(phenylthio)methyl]phosphonate,diethyl [(phenylsulfanyl)methyl]phosphonate,CCOP(=O)(CSc1ccccc1)OCC,CCOP(=O)(CSc1ccccc1)OCC,"InChI=1/C11H17O3PS/c1-3-13-15(12,14-4-2)10-16-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",C11H17O3PS,,,,,,FBUXEPJJFVDUFE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.867,253-772-8,38079-57-1,"N2,N2-dimethyl-N6-(1-oxododecyl)-L-lysine","N~6~-dodecanoyl-N~2~,N~2~-dimethyl-L-lysine",CCCCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,CCCCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,"InChI=1/C20H40N2O3/c1-4-5-6-7-8-9-10-11-12-16-19(23)21-17-14-13-15-18(20(24)25)22(2)3/h18H,4-17H2,1-3H3,(H,21,23)(H,24,25)",C20H40N2O3,,,,,,CYGAEZQNRUGNLL-SFHVURJKSA-N,,,,,,,,,,,
100.048.868,253-773-3,38079-62-8,Disodium N-(1-oxooctadecyl)-L-glutamate,disodium 2-(stearoylamino)pentanedioate,[Na+].[Na+].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C23H43NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);;/q;2*+1/p-2",C23H43NO5.2Na,,,,,,WODOUQLMOIMKAL-FJSYBICCSA-L,,,,,,,,,,,
100.048.870,253-775-4,38083-17-9,Climbazole,"1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2,"InChI=1/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3",C15H17ClN2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11657,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.870,OWEGWHBOCFMBLP-UHFFFAOYSA-N,Positive/Negative,SM818301;EA273901|EA273902|EA273903|EA273904|EA273905|EA273906|EA273907|EA273908|EA273909|EA273910|EA273911|EA273912|EA273913|EA273914,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,293.1053:69.07:197.0729;197.0729:225.0677:137.1073|293.1055:197.0723:69.0695|197.0727:293.1051:69.0699|197.0727:69.0699:141.0101|69.0699:141.0101:126.9945|126.9944:69.0699:98.9996|98.9996:139.0057:126.9945|293.1053:197.0726:225.0674|197.0728:293.1054:69.0699|197.0727:69.0699:141.0102|69.0699:141.0102:126.9945|69.0698:126.9944:98.9995|98.9996:139.0057:57.0698|197.0728:225.0677:137.1073,CASMI_2016;Eawag,EA273951|EA273952|EA273953|EA273954|EA273955|EA273956|EA273957|EA273958|EA273959|EA273960|EA273961|EA273962|EA273964,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,234.02:221.0125:233.0117|67.0304|67.0303|67.0304|67.0303|67.0302|67.0302|67.0303|67.0302|67.0302|67.0302|67.0303|234.02:263.0954:221.0126,Eawag
100.048.871,253-777-5,38098-46-3,Mercaptopropanediol,"1-sulfanylpropane-1,1-diol",CCC(O)(O)S,CCC(O)(O)S,"InChI=1/C3H8O2S/c1-2-3(4,5)6/h4-6H,2H2,1H3",C3H8O2S,,,,,,VWNAITWBRLKIIS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.710,263-501-5,62312-12-3,Tris[(2-ethylhexanoyl)oxy]methylstannane,stannylmethanetriyl tris(2-ethylhexanoate),CCCCC(CC)C(=O)OC([Sn])(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OC([Sn])(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1/C25H45O6.Sn/c1-7-13-16-19(10-4)22(26)29-25(30-23(27)20(11-5)17-14-8-2)31-24(28)21(12-6)18-15-9-3;/h19-21H,7-18H2,1-6H3;/q;+3/rC25H45O6Sn/c1-7-13-16-19(10-4)22(26)29-25(32,30-23(27)20(11-5)17-14-8-2)31-24(28)21(12-6)18-15-9-3/h19-21H,7-18H2,1-6H3/q+3",C25H48O6Sn,,,,,,FFIHLVLZFQXBQE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.711,263-502-0,62314-22-1,(2-hydroxypropyl)trimethylammonium 2-ethylhexanoate,"2-hydroxy-N,N,N-trimethylpropan-1-aminium 2-ethylhexanoate",CCCCC(CC)C(=O)[O-].CC(O)C[N+](C)(C)C,CCCCC(CC)C(=O)[O-].CC(O)C[N+](C)(C)C,"InChI=1/C8H16O2.C6H16NO/c1-3-5-6-7(4-2)8(9)10;1-6(8)5-7(2,3)4/h7H,3-6H2,1-2H3,(H,9,10);6,8H,5H2,1-4H3/q;+1/p-1",C8H15O2.C6H16NO,,,,,,HLFNUPJVFUAPLD-UHFFFAOYSA-M,,,,,,,,,,,
100.057.716,263-507-8,62331-25-3,"3-butyl-3,6,6,9,9-pentamethyl-1,2,4,5-tetroxonane","3-butyl-3,6,6,9,9-pentamethyl-1,2,4,5-tetroxonane",CCCCC1(C)OOC(C)(C)CCC(C)(C)OO1,CCCCC1(C)OOC(C)(C)CCC(C)(C)OO1,"InChI=1/C14H28O4/c1-7-8-9-14(6)17-15-12(2,3)10-11-13(4,5)16-18-14/h7-11H2,1-6H3",C14H28O4,,,,,,FZWQMEIJVHBNED-UHFFFAOYSA-N,,,,,,,,,,,
100.057.717,263-508-3,62331-37-7,"Ethyl 3,6,6,9,9-pentamethyl-1,2,4,5-tetroxonan-3-acetate","ethyl (3,6,6,9,9-pentamethyl-1,2,4,5-tetroxonan-3-yl)acetate",CCOC(=O)CC1(C)OOC(C)(C)CCC(C)(C)OO1,CCOC(=O)CC1(C)OOC(C)(C)CCC(C)(C)OO1,"InChI=1/C14H26O6/c1-7-16-11(15)10-14(6)19-17-12(2,3)8-9-13(4,5)18-20-14/h7-10H2,1-6H3",C14H26O6,,,,,,MKGMCCVHOVSDTI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.719,263-510-4,62332-09-6,5-amino-9-(dimethylamino)-10-methylbenzo[a]phenoxazin-7-ium acetate,5-amino-9-(dimethylamino)-10-methylbenzo[a]phenoxazin-7-ium acetate,CN(C)c1cc2[o+]c3cc(N)c4ccccc4c3nc2cc1C.CC(=O)[O-],CN(C)c1cc2[o+]c3cc(N)c4ccccc4c3nc2cc1C.CC(=O)[O-],"InChI=1/C19H18N3O.C2H4O2/c1-11-8-15-17(10-16(11)22(2)3)23-18-9-14(20)12-6-4-5-7-13(12)19(18)21-15;1-2(3)4/h4-10H,20H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C19H18N3O.C2H3O2,,,,,,VSIGIHFSVXBOMQ-UHFFFAOYSA-M,,,,,,,,,,,
100.057.723,263-515-1,62336-24-7,(2-bromophenyl)diphenylphosphine,(2-bromophenyl)(diphenyl)phosphine,Brc1ccccc1P(c2ccccc2)c3ccccc3,Brc1ccccc1P(c2ccccc2)c3ccccc3,InChI=1/C18H14BrP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,C18H14BrP,,,,,,XIONUQPOXCUMMB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.724,263-516-7,62337-00-2,"Disodium 3,6-bis[(o-arsonophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonate","disodium 3,6-bis[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2[As](O)(O)=O)c3O)S([O-])(=O)=O,[Na+].[Na+].O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2[As](O)(O)=O)c3O)S([O-])(=O)=O,"InChI=1/C22H18As2N4O14S2.2Na/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36;;/h1-10,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C22H18As2N4O14S2.2Na,,,,,,KSSZSGSRTIMTBY-UHFFFAOYSA-L,,,,,,,,,,,
100.057.729,263-521-4,62358-35-4,Methyl 11-methoxy-19a-methyl-2-oxoformosanan-16-carboxylate,methyl 11-methoxy-19-methyl-2-oxoformosanan-16-carboxylate,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C3C[C@H]12)C(=O)Nc5cc(OC)ccc45,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C3C[C@H]12)C(=O)Nc5cc(OC)ccc45,"InChI=1/C22H26N2O5/c1-12-15-10-24-7-6-22(17-5-4-13(27-2)8-18(17)23-21(22)26)19(24)9-14(15)16(11-29-12)20(25)28-3/h4-5,8,11-12,14-15,19H,6-7,9-10H2,1-3H3,(H,23,26)",C22H26N2O5,,,,,,SRKHGHLMEDVZRX-BBSYRKDXSA-N,,,,,,,,,,,
100.057.732,263-525-6,62365-34-8,1-(ethyldimethylsilyl)-1H-imidazole,1-[ethyl(dimethyl)silyl]-1H-imidazole,CC[Si](C)(C)n1ccnc1,CC[Si](C)(C)n1ccnc1,"InChI=1/C7H14N2Si/c1-4-10(2,3)9-6-5-8-7-9/h5-7H,4H2,1-3H3",C7H14N2Si,,,,,,HMMXVNBTJZQGTI-UHFFFAOYSA-N,,,,,,,,,,,
100.057.734,263-527-7,62373-80-2,3-(4-methoxyphenoxy)benzaldehyde,3-(4-methoxyphenoxy)benzaldehyde,COc1ccc(Oc2cccc(C=O)c2)cc1,COc1ccc(Oc2cccc(C=O)c2)cc1,"InChI=1/C14H12O3/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15/h2-10H,1H3",C14H12O3,,,,,,WLFDEVVCXPTAQA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.743,263-537-1,62418-35-3,"1,4-dihydroxy-2-[(2-methoxyethyl)amino]anthraquinone","1,4-dihydroxy-2-[(2-methoxyethyl)amino]-9,10-anthraquinone",COCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,COCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C17H15NO5/c1-23-7-6-18-11-8-12(19)13-14(17(11)22)16(21)10-5-3-2-4-9(10)15(13)20/h2-5,8,18-19,22H,6-7H2,1H3",C17H15NO5,,,,,,OWPAMDNNHHBXRM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.745,263-539-2,62433-26-5,4'-chloro-5-fluoro-2-hydroxybenzophenone,(4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methanone,Oc1ccc(F)cc1C(=O)c2ccc(Cl)cc2,Oc1ccc(F)cc1C(=O)c2ccc(Cl)cc2,"InChI=1/C13H8ClFO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7,16H",C13H8ClFO2,,,,,,AYBQWBCUAWOLCT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.100,258-429-6,53209-19-1,"4-nitrobenzene-1,2-diamine monohydrochloride","4-nitrobenzene-1,2-diamine hydrochloride",Cl.Nc1ccc(cc1N)[N+](=O)[O-],Cl.Nc1ccc(cc1N)[N+](=O)[O-],"InChI=1/C6H7N3O2.ClH/c7-5-2-1-4(9(10)11)3-6(5)8;/h1-3H,7-8H2;1H",C6H7N3O2.ClH,,,,,,IFTLGFVLGVXRBT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.852,261-457-1,58822-25-6,N-[N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-L-leucine,L-tyrosylglycylglycylphenylalanyl-L-leucine,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O,"InChI=1/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)",C28H37N5O7,,,,,,URLZCHNOLZSCCA-VABKMULXSA-N,,,,,,,,,,,
100.055.854,261-459-2,58823-09-9,Bis(2-chloroethyl) [2-[[(2-chloroethoxy)(2-chloroethyl)phosphinyl]oxy]ethyl]phosphonate,2-[bis(2-chloroethoxy)phosphoryl]ethyl 2-chloroethyl (2-chloroethyl)phosphonate (non-preferred name),ClCCOP(=O)(CCCl)OCCP(=O)(OCCCl)OCCCl,ClCCOP(=O)(CCCl)OCCP(=O)(OCCCl)OCCCl,"InChI=1/C10H20Cl4O6P2/c11-1-5-17-21(15,9-4-14)20-8-10-22(16,18-6-2-12)19-7-3-13/h1-10H2",C10H20Cl4O6P2,,,,,,CJOFOMGFGJRPFD-UHFFFAOYSA-N,,,,,,,,,,,
100.055.863,261-469-7,58846-77-8,Decyl ß-D-glucopyranoside,decyl beta-D-glucopyranoside,CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3",C16H32O6,,,,,,JDRSMPFHFNXQRB-IBEHDNSVSA-N,,,,,,,,,,,
100.055.865,261-471-8,58850-86-5,"N-(aminocarbonyl)-2,2-dimethylpropionamide","N-carbamoyl-2,2-dimethylpropanamide",CC(C)(C)C(=O)NC(=O)N,CC(C)(C)C(=O)NC(=O)N,"InChI=1/C6H12N2O2/c1-6(2,3)4(9)8-5(7)10/h1-3H3,(H3,7,8,9,10)",C6H12N2O2,,,,,,NJTMPILFXWNYAH-UHFFFAOYSA-N,,,,,,,,,,,
100.055.867,261-473-9,58861-53-3,2-(4-fluorophenyl)pyridine,2-(4-fluorophenyl)pyridine,Fc1ccc(cc1)c2ccccn2,Fc1ccc(cc1)c2ccccn2,InChI=1/C11H8FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,C11H8FN,,,,,,MHWIDTQQBWGUCD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.501,263-271-6,61842-44-2,5-hydroxyisophthaloyl dichloride,5-hydroxyisophthaloyl dichloride,Oc1cc(cc(c1)C(=O)Cl)C(=O)Cl,Oc1cc(cc(c1)C(=O)Cl)C(=O)Cl,"InChI=1/C8H4Cl2O3/c9-7(12)4-1-5(8(10)13)3-6(11)2-4/h1-3,11H",C8H4Cl2O3,,,,,,PVOFLWDXEXGWNT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.505,263-275-8,61852-40-2,3-(butylphenylamino)propiononitrile,3-[butyl(phenyl)amino]propanenitrile,CCCCN(CCC#N)c1ccccc1,CCCCN(CCC#N)c1ccccc1,"InChI=1/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3",C13H18N2,,,,,,KMGZOJSHGRNXOC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.515,263-286-8,61886-29-1,Sodium 4-cyclohexylbutyrate,sodium 4-cyclohexylbutanoate,[Na+].[O-]C(=O)CCCC1CCCCC1,[Na+].[O-]C(=O)CCCC1CCCCC1,"InChI=1/C10H18O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1",C10H18O2.Na,,,,,,GBEFSJZAXXWKIO-UHFFFAOYSA-M,,,,,,,,,,,
100.057.518,263-289-4,61886-39-3,"2-chloro-1,4-bis(1-methylethoxy)benzene","2-chloro-1,4-diisopropoxybenzene",CC(C)Oc1ccc(OC(C)C)c(Cl)c1,CC(C)Oc1ccc(OC(C)C)c(Cl)c1,"InChI=1/C12H17ClO2/c1-8(2)14-10-5-6-12(11(13)7-10)15-9(3)4/h5-9H,1-4H3",C12H17ClO2,,,,,,KHJPWDHXQSXQRM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.034,263-857-1,63105-52-2,"Methyl 4,5-dichloro-2-nitrobenzoate","methyl 4,5-dichloro-2-nitrobenzoate",COC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-],COC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-],"InChI=1/C8H5Cl2NO4/c1-15-8(12)4-2-5(9)6(10)3-7(4)11(13)14/h2-3H,1H3",C8H5Cl2NO4,,,,,,PVDDBRQEFFELHC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.041,263-865-5,63113-84-8,a-(hydroxymethyl)phenethylammonium chloride,1-hydroxy-3-phenylpropan-2-aminium chloride,[Cl-].[NH3+]C(CO)Cc1ccccc1,[Cl-].[NH3+]C(CO)Cc1ccccc1,"InChI=1/C9H13NO.ClH/c10-9(7-11)6-8-4-2-1-3-5-8;/h1-5,9,11H,6-7,10H2;1H",C9H13NO.ClH,,,,,,XRTJOZQBTFJAMF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.045,263-869-7,63123-20-6,2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate,"2-(2-ethoxybut-1-en-1-yl)-3-methyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CCC(OCC)=Cc2oc1ccc(cc1[n+]2C)c3ccccc3,[O-]S(=O)(=O)c1ccc(C)cc1.CCC(OCC)=Cc2oc1ccc(cc1[n+]2C)c3ccccc3,"InChI=1/C20H22NO2.C7H8O3S/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C20H22NO2.C7H7O3S,,,,,,DGWMOZHMDMZOJW-UHFFFAOYSA-M,,,,,,,,,,,
100.058.047,263-871-8,63123-22-8,Potassium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonate,"potassium 2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonate",[K+].[O-]S(=O)(=O)CCN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,[K+].[O-]S(=O)(=O)CCN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,"InChI=1/C14H14N2O4S4.K/c1-2-15-9-5-3-4-6-10(9)22-13(15)11-12(17)16(14(21)23-11)7-8-24(18,19)20;/h3-6H,2,7-8H2,1H3,(H,18,19,20);/q;+1/p-1",C14H14N2O4S4.K,,,,,,FONYXZUOCMKKGX-UHFFFAOYSA-M,,,,,,,,,,,
100.058.062,263-888-0,63125-71-3,N-oleoyl-D-gluconamide,"N-(2,3,4,5,6-pentahydroxyhexanoyl)octadec-9-enamide (non-preferred name)",CCCCCCCC\\C=C/CCCCCCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(28)25-24(32)23(31)22(30)21(29)19(27)18-26/h9-10,19,21-23,26-27,29-31H,2-8,11-18H2,1H3,(H,25,28,32)",C24H47NO6,,,,,,YYVCMYBDTCVCJV-YUMUHCJLSA-N,,,,,,,,,,,
100.052.259,257-504-0,51898-85-2,Ammonium vinylbenzenesulphonate,ammonium 2-vinylbenzenesulfonate,[NH4+].[O-]S(=O)(=O)c1ccccc1C=C,[NH4+].[O-]S(=O)(=O)c1ccccc1C=C,"InChI=1/C8H8O3S.H3N/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);1H3",C8H8O3S.H3N,,,,,,IVKZBYBXOFUZME-UHFFFAOYSA-N,,,,,,,,,,,
100.052.269,257-515-0,51920-12-8,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide","3-hydroxy-4-{[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]diazenyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",CNS(=O)(=O)c1cc(OC)c(cc1C)N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3,CNS(=O)(=O)c1cc(OC)c(cc1C)N=Nc2c5ccccc5cc(c2O)C(=O)Nc3ccc4NC(=O)Nc4c3,"InChI=1/C27H24N6O6S/c1-14-10-21(22(39-3)13-23(14)40(37,38)28-2)32-33-24-17-7-5-4-6-15(17)11-18(25(24)34)26(35)29-16-8-9-19-20(12-16)31-27(36)30-19/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)",C27H24N6O6S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11429,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.269,YKGGTUUWVUHZIL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.270,257-516-6,51920-48-0,N-docosyl-D-gluconamide,"N-docosyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C28H57NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-28(35)27(34)26(33)25(32)24(31)23-30/h24-27,30-34H,2-23H2,1H3,(H,29,35)",C28H57NO6,,,,,,DIYMKGLGMAHQBL-JVYGEBFASA-N,,,,,,,,,,,
100.052.279,257-526-0,51936-55-1,"7,8-dibromo-1,2,3,4,11,11-hexachloro-1,4,4a,5,6,7,8,9,10,10a-decahydro-1,4-methanobenzocyclooctene","7,8-dibromo-1,2,3,4,11,11-hexachloro-1,4,4a,5,6,7,8,9,10,10a-decahydro-1,4-methanobenzo[8]annulene",ClC1=C(Cl)C2(Cl)C3CCC(Br)C(Br)CCC3C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3CCC(Br)C(Br)CCC3C1(Cl)C2(Cl)Cl,"InChI=1/C13H12Br2Cl6/c14-7-3-1-5-6(2-4-8(7)15)12(19)10(17)9(16)11(5,18)13(12,20)21/h5-8H,1-4H2",C13H12Br2Cl6,,,,,,XRFONNJUMOCNHA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.292,257-540-7,51947-46-7,4-(4-aminobenzyl)-N-ethylaniline,4-(4-aminobenzyl)-N-ethylaniline,CCNc1ccc(Cc2ccc(N)cc2)cc1,CCNc1ccc(Cc2ccc(N)cc2)cc1,"InChI=1/C15H18N2/c1-2-17-15-9-5-13(6-10-15)11-12-3-7-14(16)8-4-12/h3-10,17H,2,11,16H2,1H3",C15H18N2,,,,,,DBQGVUZTTWCNDT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.161,255-196-2,41054-49-3,"1,3-dihydro-4-[4-(phenylthio)phenyl]-2H-1,5-benzodiazepine-2-thione","4-[4-(phenylsulfanyl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepine-2-thione",S=C1CC(=Nc2ccccc2N1)c3ccc(Sc4ccccc4)cc3,S=C1CC(=Nc2ccccc2N1)c3ccc(Sc4ccccc4)cc3,"InChI=1/C21H16N2S2/c24-21-14-20(22-18-8-4-5-9-19(18)23-21)15-10-12-17(13-11-15)25-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24)",C21H16N2S2,,,,,,NOKVZZHHQACBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.166,255-201-8,41078-02-8,Enprofylline,"3-propyl-3,9-dihydro-1H-purine-2,6-dione",CCCN1C(=O)NC(=O)c2nc[nH]c12,CCCN1C(=O)NC(=O)c2nc[nH]c12,"InChI=1/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)",C8H10N4O2,,,,,,SIQPXVQCUCHWDI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.172,255-208-6,41081-79-2,"1,7-dihydro-5-methyl-7-oxo-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid","5-methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid",CC1=CC(=O)N2NC(=NC2=N1)C(=O)O,CC1=CC(=O)N2NC(=NC2=N1)C(=O)O,"InChI=1/C7H6N4O3/c1-3-2-4(12)11-7(8-3)9-5(10-11)6(13)14/h2H,1H3,(H,13,14)(H,8,9,10)",C7H6N4O3,,,,,,ARNOIIJLIFFFKC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.178,255-214-9,41094-88-6,Tracazolate,"ethyl 4-(butylamino)-1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate",CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC,CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC,"InChI=1/C16H24N4O2/c1-5-8-9-17-14-12-10-18-20(6-2)15(12)19-11(4)13(14)16(21)22-7-3/h10H,5-9H2,1-4H3,(H,17,19)",C16H24N4O2,,,,,,PCTRYMLLRKWXGF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.183,255-220-1,41105-35-5,"1-chloro-9,10-bis(phenylethynyl)anthracene","1-chloro-9,10-bis(phenylethynyl)anthracene",Clc1cccc2c(C#Cc3ccccc3)c4ccccc4c(C#Cc5ccccc5)c12,Clc1cccc2c(C#Cc3ccccc3)c4ccccc4c(C#Cc5ccccc5)c12,InChI=1/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H,C30H17Cl,,,,,,IMMCAKJISYGPDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.184,255-221-7,41107-82-8,"2,5-anhydro-D-mannitol","2,5-anhydro-D-mannitol",OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2",C6H12O5,,,,,,MCHWWJLLPNDHGL-KVTDHHQDSA-N,,,,,,,,,,,
100.050.188,255-225-9,41117-77-5,Diethyl (1-oxobutyl)succinate,diethyl 2-butyrylsuccinate,CCCC(=O)C(CC(=O)OCC)C(=O)OCC,CCCC(=O)C(CC(=O)OCC)C(=O)OCC,"InChI=1/C12H20O5/c1-4-7-10(13)9(12(15)17-6-3)8-11(14)16-5-2/h9H,4-8H2,1-3H3",C12H20O5,,,,,,CZWWKAPYGDDMPF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.197,255-235-3,41131-65-1,"N,N'-(2-chloro-5-methyl-1,4-phenylene)bis[3-oxobutyramide]","N,N'-(2-chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide)",CC(=O)CC(=O)Nc1cc(Cl)c(NC(=O)CC(=O)C)cc1C,CC(=O)CC(=O)Nc1cc(Cl)c(NC(=O)CC(=O)C)cc1C,"InChI=1/C15H17ClN2O4/c1-8-4-13(18-15(22)6-10(3)20)11(16)7-12(8)17-14(21)5-9(2)19/h4,7H,5-6H2,1-3H3,(H,17,21)(H,18,22)",C15H17ClN2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12812,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.197,BXICAEQXJKTNSD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.375,255-431-9,41541-13-3,"2,2'-[[4-[(2,4-dinitrophenyl)azo]-3-methylphenyl]imino]bisethanol","2,2'-({4-[(2,4-dinitrophenyl)diazenyl]-3-methylphenyl}imino)diethanol",[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)c(c2)[N+]([O-])=O,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)c(c2)[N+]([O-])=O,"InChI=1/C17H19N5O6/c1-12-10-13(20(6-8-23)7-9-24)2-4-15(12)18-19-16-5-3-14(21(25)26)11-17(16)22(27)28/h2-5,10-11,23-24H,6-9H2,1H3",C17H19N5O6,,,,,,DYGLYJSNAZJJCB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.381,255-438-7,41556-46-1,Lead bis(piperidine-1-carbodithioate),-,[Pb+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1,[Pb+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1,"InChI=1/2C6H11NS2.Pb.2H/c2*8-6(9)7-4-2-1-3-5-7;;;/h2*1-5H2,(H,8,9);;;/q;;+4;;/p-2/r2C6H11NS2.H2Pb/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);1H2/q;;+4/p-2",C12H20N2PbS4,,,,,,WRBHGAMSUYCQFW-UHFFFAOYSA-L,,,,,,,,,,,
100.050.392,255-450-2,41588-58-3,Sodium dodecyl 4-[(2-hydroxyethyl)amino]-4-oxosulphonatobutyrate,"sodium 1-(dodecyloxy)-4-[(2-hydroxyethyl)amino]-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCCCCCCOC(=O)C(CC(=O)NCCO)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOC(=O)C(CC(=O)NCCO)S(=O)(=O)[O-],"InChI=1/C18H35NO7S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-26-18(22)16(27(23,24)25)15-17(21)19-12-13-20;/h16,20H,2-15H2,1H3,(H,19,21)(H,23,24,25);/q;+1/p-1",C18H35NO7S.Na,,,,,,IRCGYXDPGIAJEK-UHFFFAOYSA-M,,,,,,,,,,,
100.050.396,255-454-4,41606-65-9,4-amino-2-chloro-5-hydroxybenzenesulphonamide,4-amino-2-chloro-5-hydroxybenzenesulfonamide,Nc1cc(Cl)c(cc1O)S(=O)(=O)N,Nc1cc(Cl)c(cc1O)S(=O)(=O)N,"InChI=1/C6H7ClN2O3S/c7-3-1-4(8)5(10)2-6(3)13(9,11)12/h1-2,10H,8H2,(H2,9,11,12)",C6H7ClN2O3S,,,,,,WUDOEWHXJCBYJH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.403,255-462-8,41613-26-7,"1,3-dimethyl-5-nitrouracil","1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione",CN1C=C(C(=O)N(C)C1=O)[N+](=O)[O-],CN1C=C(C(=O)N(C)C1=O)[N+](=O)[O-],"InChI=1/C6H7N3O4/c1-7-3-4(9(12)13)5(10)8(2)6(7)11/h3H,1-2H3",C6H7N3O4,,,,,,SDLBIQNBDPOOPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.215,257-455-5,51828-93-4,Calcium bis(3-phenylpyruvate),calcium bis(2-oxo-3-phenylpropanoate),[Ca+2].[O-]C(=O)C(=O)Cc1ccccc1.[O-]C(=O)C(=O)Cc2ccccc2,[Ca+2].[O-]C(=O)C(=O)Cc1ccccc1.[O-]C(=O)C(=O)Cc2ccccc2,"InChI=1/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2",C9H8O3.1/2Ca,,,,,,BKMMOJVSLBZNTK-UHFFFAOYSA-L,,,,,,,,,,,
100.052.219,257-459-7,51829-30-2,"1-[3-(acetoxy)propyl]-2-[3-[1-[3-(acetoxy)propyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propenyl]-5,6-dichloro-3-ethyl-1H-benzimidazolium iodide","1-(3-acetoxypropyl)-2-{3-[1-(3-acetoxypropyl)-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-en-1-yl}-5,6-dichloro-3-ethyl-2,3-dihydro-1H-benzimidazol-1-ium iodide",[I-].CC(=O)OCCC[NH+]4c1cc(Cl)c(Cl)cc1N(CC)C4C=CC=C3N(CC)c2cc(Cl)c(Cl)cc2N3CCCOC(C)=O,[I-].CC(=O)OCCC[NH+]4c1cc(Cl)c(Cl)cc1N(CC)C4C=CC=C3N(CC)c2cc(Cl)c(Cl)cc2N3CCCOC(C)=O,"InChI=1/C31H36Cl4N4O4.HI/c1-5-36-26-16-22(32)24(34)18-28(26)38(12-8-14-42-20(3)40)30(36)10-7-11-31-37(6-2)27-17-23(33)25(35)19-29(27)39(31)13-9-15-43-21(4)41;/h7,10-11,16-19,30H,5-6,8-9,12-15H2,1-4H3;1H",C31H35Cl4N4O4.I,,,,,,PJAJBVFEORAXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.223,257-463-9,51834-16-3,Hexadecyl hydrogen phthalate,2-[(hexadecyloxy)carbonyl]benzoic acid,CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O,CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24(27)22-19-16-15-18-21(22)23(25)26/h15-16,18-19H,2-14,17,20H2,1H3,(H,25,26)",C24H38O4,,,,,,VCLGPSQEYABDHT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.225,257-466-5,51839-16-8,5-iodoisophthalic acid,5-iodoisophthalic acid,OC(=O)c1cc(I)cc(c1)C(=O)O,OC(=O)c1cc(I)cc(c1)C(=O)O,"InChI=1/C8H5IO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)",C8H5IO4,,,,,,QMDFYAWUWIIQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.232,257-473-3,51851-37-7,"Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane","triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC,CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC,"InChI=1/C14H19F13O3Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-8H2,1-3H3",C14H19F13O3Si,,,,,,AVYKQOAMZCAHRG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.243,257-485-9,51867-83-5,N-(3-amino-4-chlorophenyl)acetamide,N-(3-amino-4-chlorophenyl)acetamide,CC(=O)Nc1ccc(Cl)c(N)c1,CC(=O)Nc1ccc(Cl)c(N)c1,"InChI=1/C8H9ClN2O/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3,(H,11,12)",C8H9ClN2O,,,,,,MIIPQGGYCFVDAI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.244,257-486-4,51868-46-3,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diallylamino)-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC=C)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC=C)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)",C21H21BrN6O6,,,,,,WXDXQSMFRITTEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.117,258-447-4,53243-60-0,(E)-3-methyl-5-phenylpent-2-enenitrile,3-methyl-5-phenylpent-2-enenitrile,C\\C(=C/C#N)\\CCc1ccccc1,C\C(=C/C#N)\CCc1ccccc1,"InChI=1/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3",C12H13N,,,,,,QELCXXZZKSRBET-PKNBQFBNSA-N,,,,,,,,,,,
100.048.878,253-784-3,38116-61-9,2-hydroxy-6-methylpyridine-3-carboxylic acid,2-hydroxy-6-methylnicotinic acid,Cc1ccc(C(=O)O)c(O)n1,Cc1ccc(C(=O)O)c(O)n1,"InChI=1/C7H7NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11)",C7H7NO3,,,,,,XRIHTJYXIHOBDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.884,253-791-1,38122-80-4,"1-hydroxy-4-[1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6-(octadecyloxy)-2-naphthoic acid","1-hydroxy-4-{1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthyl]-3-oxo-1H,3H-benzo[de]isochromen-1-yl}-6-(octadecyloxy)-2-naphthoic acid",CCCCCCCCCCCCCCCCCCOc1ccc2c(O)c(cc(c2c1)C3(OC(=O)c4cccc5cccc3c45)c6cc(C(=O)OC)c(O)c7ccccc67)C(=O)O,CCCCCCCCCCCCCCCCCCOc1ccc2c(O)c(cc(c2c1)C3(OC(=O)c4cccc5cccc3c45)c6cc(C(=O)OC)c(O)c7ccccc67)C(=O)O,"InChI=1/C53H58O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-61-36-29-30-39-41(32-36)46(33-42(48(39)54)50(56)57)53(44-28-22-24-35-23-21-27-40(47(35)44)52(59)62-53)45-34-43(51(58)60-2)49(55)38-26-19-18-25-37(38)45/h18-19,21-30,32-34,54-55H,3-17,20,31H2,1-2H3,(H,56,57)",C53H58O9,,,,,,GQAKXAZXUYZQAI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.887,253-794-8,38124-99-1,Disodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-8-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 5-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-8-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O,[Na+].[Na+].OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O,"InChI=1/C26H25N5O8S2.2Na/c32-15-13-31(14-16-33)20-5-1-18(2-6-20)27-29-25-11-12-26(24-17-22(41(37,38)39)9-10-23(24)25)30-28-19-3-7-21(8-4-19)40(34,35)36;;/h1-12,17,32-33H,13-16H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C26H25N5O8S2.2Na,,,,,,WCHQYPQSZXUSIL-UHFFFAOYSA-L,,,,,,,,,,,
100.048.891,253-799-5,38134-94-0,1-hydroxy-6-(octadecyloxy)-2-naphthoic acid,1-hydroxy-6-(octadecyloxy)-2-naphthoic acid,CCCCCCCCCCCCCCCCCCOc1ccc2c(O)c(ccc2c1)C(=O)O,CCCCCCCCCCCCCCCCCCOc1ccc2c(O)c(ccc2c1)C(=O)O,"InChI=1/C29H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-25-19-21-26-24(23-25)18-20-27(28(26)30)29(31)32/h18-21,23,30H,2-17,22H2,1H3,(H,31,32)",C29H44O4,,,,,,HZAMBLFVFWGWSW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.893,253-801-4,38136-29-7,4-methylvaleryl chloride,4-methylpentanoyl chloride,CC(C)CCC(=O)Cl,CC(C)CCC(=O)Cl,"InChI=1/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3",C6H11ClO,,,,,,SVWCVXFHTHCJJB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.895,253-804-0,38147-79-4,2-(cyclohexen-1-yl)glycine,amino(cyclohex-1-en-1-yl)acetic acid,NC(C(=O)O)C1=CCCCC1,NC(C(=O)O)C1=CCCCC1,"InChI=1/C8H13NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h4,7H,1-3,5,9H2,(H,10,11)",C8H13NO2,,,,,,AVTKZPFBQWAWKT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.707,255-796-4,42399-41-7,Diltiazem,"5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate",COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C,COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C,"InChI=1/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3",C22H26N2O4S,,,,,,HSUGRBWQSSZJOP-RTWAWAEBSA-N,,,,,,,,,,,
100.050.712,255-803-0,42399-55-3,"(R*,R*)-(±)-3-[(o-aminophenyl)thio]-3-(p-methoxyphenyl)lactic acid",3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid,COc1ccc(cc1)C(Sc2ccccc2N)C(O)C(=O)O,COc1ccc(cc1)C(Sc2ccccc2N)C(O)C(=O)O,"InChI=1/C16H17NO4S/c1-21-11-8-6-10(7-9-11)15(14(18)16(19)20)22-13-5-3-2-4-12(13)17/h2-9,14-15,18H,17H2,1H3,(H,19,20)",C16H17NO4S,,,,,,KHQWPNQLSKDWAR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.715,255-806-7,42404-52-4,"2-[[[[[6-[[[2,2-bis[[(1-oxoallyl)oxy]methyl]butoxy]carbonyl]amino]hexyl]amino]carbonyl]oxy]methyl]-2-ethyl-1,3-propanediyl diacrylate","2,17-bis[(acryloyloxy)methyl]-2,17-diethyl-5,14,20-trioxo-4,15,19-trioxa-6,13-diazadocos-21-en-1-yl acrylate (non-preferred name)",CCC(COC(=O)NCCCCCCNC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,CCC(COC(=O)NCCCCCCNC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C32H48N2O12/c1-7-25(35)41-19-31(11-5,20-42-26(36)8-2)23-45-29(39)33-17-15-13-14-16-18-34-30(40)46-24-32(12-6,21-43-27(37)9-3)22-44-28(38)10-4/h7-10H,1-4,11-24H2,5-6H3,(H,33,39)(H,34,40)",C32H48N2O12,,,,,,IOQMTDVZELDPFR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.717,255-808-8,42408-82-2,Butorphanol,"17-(cyclobutylmethyl)morphinan-3,14-diol",Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]5(CCCC[C@@]35O)c2c1,Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]5(CCCC[C@@]35O)c2c1,"InChI=1/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2",C21H29NO2,,,,,,IFKLAQQSCNILHL-QHAWAJNXSA-N,,,,,,,,,,,
100.050.723,255-815-6,42423-89-2,3-ethyl-2-methylbenzoselenazolium 4-methylbenzenesulphonate,"3-ethyl-2-methyl-1,3-benzoselenazol-3-ium 4-methylbenzenesulfonate",CC[N+]1=C(C)[Se]c2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[N+]1=C(C)[Se]c2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C10H12NSe.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C10H12NSe.C7H7O3S,,,,,,YFNMUINSOYCPLD-UHFFFAOYSA-M,,,,,,,,,,,
100.059.416,265-377-8,65072-59-5,5-[(4-aminophenyl)azo]-3-methylsalicylic acid,5-[(4-aminophenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid,Cc2cc(N=Nc1ccc(N)cc1)cc(C(O)=O)c2O,Cc2cc(N=Nc1ccc(N)cc1)cc(C(O)=O)c2O,"InChI=1/C14H13N3O3/c1-8-6-11(7-12(13(8)18)14(19)20)17-16-10-4-2-9(15)3-5-10/h2-7,18H,15H2,1H3,(H,19,20)",C14H13N3O3,,,,,,YTIOMBPRIHISAH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.432,265-395-6,65087-06-1,"Dinaphtho[1',2',3':3,4;3'',2'',1'':9,10]perylo[1,12-def][1,3]oxazepine","dinaphtho[1',2',3':3,4;3'',2'',1'':9,10]perylo[1,12-def][1,3]oxazepine",O1C=Nc2cc3c4ccccc4cc5ccc6c7ccc8cc9ccccc9c%10cc1c(c2c6c35)c7c8%10,O1C=Nc2cc3c4ccccc4cc5ccc6c7ccc8cc9ccccc9c%10cc1c(c2c6c35)c7c8%10,InChI=1/C35H17NO/c1-3-7-22-18(5-1)13-20-9-11-24-25-12-10-21-14-19-6-2-4-8-23(19)27-16-29-35(33(25)31(21)27)34-28(36-17-37-29)15-26(22)30(20)32(24)34/h1-17H,C35H17NO,,,,,,MJDYGVAGHGNGJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.434,265-397-7,65087-13-0,"2,2'-[(2-methylpentane-1,5-diyl)bis(nitrilomethylidyne)]bisphenol","2,2'-[(2-methylpentane-1,5-diyl)bis(nitrilomethylylidene)]diphenol",Oc2ccccc2C=NCC(C)CCCN=Cc1ccccc1O,Oc2ccccc2C=NCC(C)CCCN=Cc1ccccc1O,"InChI=1/C20H24N2O2/c1-16(13-22-15-18-9-3-5-11-20(18)24)7-6-12-21-14-17-8-2-4-10-19(17)23/h2-5,8-11,14-16,23-24H,6-7,12-13H2,1H3",C20H24N2O2,,,,,,IPIHECIYBVDAFT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.446,265-410-6,65104-24-7,"2-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthyl]amino]ethoxy]ethanol","2-[2-({4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthyl}amino)ethoxy]ethanol",Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCOCCO)c1ccccc12)[N+]([O-])=O,Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCOCCO)c1ccccc12)[N+]([O-])=O,"InChI=1/C20H18BrN5O6/c21-16-11-13(25(28)29)12-19(26(30)31)20(16)24-23-18-6-5-17(22-7-9-32-10-8-27)14-3-1-2-4-15(14)18/h1-6,11-12,22,27H,7-10H2",C20H18BrN5O6,,,,,,UWVWXCLYUOTGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.228,267-372-6,67846-58-6,"2,5-dichloro-4-[4-[(4-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","2,5-dichloro-4-{4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(Cl)cc2)C3=O,OS(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(Cl)cc2)C3=O,"InChI=1/C16H11Cl3N4O4S/c1-8-15(21-20-10-4-2-9(17)3-5-10)16(24)23(22-8)13-6-12(19)14(7-11(13)18)28(25,26)27/h2-7,15H,1H3,(H,25,26,27)",C16H11Cl3N4O4S,,,,,,ZGJOYJOGEVRBHB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.230,267-374-7,67846-60-0,6-(methylamino)-5-[[2-sulpho-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid,6-(methylamino)-5-[(2-sulfo-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)OCCS(=O)(=O)c3ccc(N=Nc1c2ccc(cc2ccc1NC)S(O)(=O)=O)c(c3)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c3ccc(N=Nc1c2ccc(cc2ccc1NC)S(O)(=O)=O)c(c3)S(O)(=O)=O,"InChI=1/C19H19N3O12S4/c1-20-17-6-2-12-10-14(36(25,26)27)3-5-15(12)19(17)22-21-16-7-4-13(11-18(16)37(28,29)30)35(23,24)9-8-34-38(31,32)33/h2-7,10-11,20H,8-9H2,1H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)",C19H19N3O12S4,,,,,,QFHVNFXTQMXLJB-UHFFFAOYSA-N,,,,,,,,,,,
100.061.231,267-375-2,67846-62-2,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]propionamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl}propanamide",Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NCC)cc1NC(=O)CC)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NCC)cc1NC(=O)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H23ClN6O7/c1-4-19(28)23-14-10-16(22-5-2)18(34-7-6-33-3)11-15(14)24-25-20-13(21)8-12(26(29)30)9-17(20)27(31)32/h8-11,22H,4-7H2,1-3H3,(H,23,28)",C20H23ClN6O7,,,,,,TTXGBEVCKFDELR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.238,267-383-6,67846-69-9,2-hydroxyethyl methyl hydrogen phosphate,2-hydroxyethyl methyl hydrogen phosphate,COP(=O)(O)OCCO,COP(=O)(O)OCCO,"InChI=1/C3H9O5P/c1-7-9(5,6)8-3-2-4/h4H,2-3H2,1H3,(H,5,6)",C3H9O5P,,,,,,WHRQRNQSZWMIMU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.239,267-384-1,67847-13-6,3-allyl-2-(3-ethyl-1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)-5-(1-methylpyridin-2(1H)-ylidene)thiazolidin-4-one,"3-allyl-2-(3-ethyl-1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)-5-(1-methylpyridin-2(1H)-ylidene)-1,3-thiazolidin-4-one",CN3/C=C\\C=C/C3=C2SC(=C1N(CC)C(=S)N(C)C1=O)N(CC=C)C2=O,CN3/C=C\C=C/C3=C2SC(=C1N(CC)C(=S)N(C)C1=O)N(CC=C)C2=O,"InChI=1/C18H20N4O2S2/c1-5-10-22-16(24)14(12-9-7-8-11-19(12)3)26-17(22)13-15(23)20(4)18(25)21(13)6-2/h5,7-9,11H,1,6,10H2,2-4H3",C18H20N4O2S2,,,,,,SORSDDPFXXJCHX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.130,261-763-5,59441-32-6,1-(1-oxohexadecyl)-L-proline,1-palmitoyl-L-proline,CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O,CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)",C21H39NO3,,,,,,XOAIXMQPJQVGRV-IBGZPJMESA-N,,,,,,,,,,,
100.056.137,261-770-3,59454-35-2,"4'-decyl[1,1'-biphenyl]-4-carbonitrile",4'-decylbiphenyl-4-carbonitrile,CCCCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C23H29N/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23/h11-18H,2-10H2,1H3",C23H29N,,,,,,GLGZJMAYDWXROS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.970,257-186-3,51414-22-3,5-(dimethoxymethyl)-1-(4-methylpent-3-enyl)cyclohexene,5-(dimethoxymethyl)-1-(4-methylpent-3-en-1-yl)cyclohexene,COC(OC)C1CCC=C(CCC=C(C)C)C1,COC(OC)C1CCC=C(CCC=C(C)C)C1,"InChI=1/C15H26O2/c1-12(2)7-5-8-13-9-6-10-14(11-13)15(16-3)17-4/h7,9,14-15H,5-6,8,10-11H2,1-4H3",C15H26O2,,,,,,RYAWURZCWFRNMG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.985,257-202-9,51437-00-4,5-bromo-2-fluorotoluene,4-bromo-1-fluoro-2-methylbenzene,Cc1cc(Br)ccc1F,Cc1cc(Br)ccc1F,"InChI=1/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",C7H6BrF,,,,,,VXKYOKPNAXNAFU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.988,257-206-0,51441-48-6,Benzyldiethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"2-(acryloyloxy)-N-benzyl-N,N-diethylethanaminium chloride",[Cl-].CC[N+](CC)(CCOC(=O)C=C)Cc1ccccc1,[Cl-].CC[N+](CC)(CCOC(=O)C=C)Cc1ccccc1,"InChI=1/C16H24NO2.ClH/c1-4-16(18)19-13-12-17(5-2,6-3)14-15-10-8-7-9-11-15;/h4,7-11H,1,5-6,12-14H2,2-3H3;1H/q+1;/p-1",C16H24NO2.Cl,,,,,,RVNBHBGRVZNYOO-UHFFFAOYSA-M,,,,,,,,,,,
100.051.991,257-209-7,51443-71-1,1-methylpentyl acrylate,1-methylpentyl acrylate,CCCCC(C)OC(=O)C=C,CCCCC(C)OC(=O)C=C,"InChI=1/C9H16O2/c1-4-6-7-8(3)11-9(10)5-2/h5,8H,2,4,6-7H2,1,3H3",C9H16O2,,,,,,HRKWOOHVRHBXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.993,257-211-8,51443-73-3,1-methylundecyl acrylate,1-methylundecyl acrylate,CCCCCCCCCCC(C)OC(=O)C=C,CCCCCCCCCCC(C)OC(=O)C=C,"InChI=1/C15H28O2/c1-4-6-7-8-9-10-11-12-13-14(3)17-15(16)5-2/h5,14H,2,4,6-13H2,1,3H3",C15H28O2,,,,,,XQACRXVFENATBU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.999,257-218-6,51460-84-5,"2,2',2'',4,4',4'',6,6',6''-nonanitro-m-terphenyl","2,2',2'',4,4',4'',6,6',6''-nonanitro-1,1':3',1''-terphenyl",[O-][N+](=O)c1cc(c(c2c(cc(c(c3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(c2c(cc(c(c3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],InChI=1/C18H5N9O18/c28-19(29)6-1-8(21(32)33)14(9(2-6)22(34)35)16-12(25(40)41)5-13(26(42)43)17(18(16)27(44)45)15-10(23(36)37)3-7(20(30)31)4-11(15)24(38)39/h1-5H,C18H5N9O18,,,,,,DYGJZCCUSXSGBE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.755,259-150-2,54401-85-3,Ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,CCOC(=O)Cc1ccncc1,CCOC(=O)Cc1ccncc1,"InChI=1/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3",C9H11NO2,,,,,,QVLJLWHOILVHJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.944,253-858-5,38279-34-4,Dodecanedial,dodecanedial,O=CCCCCCCCCCCC=O,O=CCCCCCCCCCCC=O,"InChI=1/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h11-12H,1-10H2",C12H22O2,,,,,,SZCGBFUWBCDIEA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.947,253-861-1,38284-42-3,3-(bicyclo[2.2.1]hept-5-en-2-yl)methacrylaldehyde,3-bicyclo[2.2.1]hept-5-en-2-yl-2-methylacrylaldehyde,C\\C(=C\\C1CC2CC1C=C2)\\C=O,C\C(=C\C1CC2CC1C=C2)\C=O,"InChI=1/C11H14O/c1-8(7-12)4-11-6-9-2-3-10(11)5-9/h2-4,7,9-11H,5-6H2,1H3",C11H14O,,,,,,CVCVVXNCGPBRSF-YWEYNIOJSA-N,,,,,,,,,,,
100.048.948,253-862-7,38284-44-5,2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexenal,2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)hexanal,CCCCC(=CC1CC2CC1C=C2)C=O,CCCCC(=CC1CC2CC1C=C2)C=O,"InChI=1/C14H20O/c1-2-3-4-12(10-15)9-14-8-11-5-6-13(14)7-11/h5-6,9-11,13-14H,2-4,7-8H2,1H3",C14H20O,,,,,,JQKLBMYWUWDXRL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.959,253-874-2,38304-91-5,Minoxidil,"6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide",Nc1cc(nc(N)[n+]1[O-])N2CCCCC2,Nc1cc(nc(N)[n+]1[O-])N2CCCCC2,"InChI=1/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)",C9H15N5O,,,,,,ZFMITUMMTDLWHR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.964,253-880-5,38321-18-5,Sodium 2-(2-butoxyethoxy)ethanolate,sodium 2-(2-butoxyethoxy)ethanolate,[Na+].CCCCOCCOCC[O-],[Na+].CCCCOCCOCC[O-],"InChI=1/C8H17O3.Na/c1-2-3-5-10-7-8-11-6-4-9;/h2-8H2,1H3;/q-1;+1",C8H18O3.Na,,,,,,KAJZHZHQGRIPIC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.965,253-881-0,38325-02-9,"(R)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline","1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline",COc1cc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,COc1cc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,"InChI=1/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3",C21H25NO4,,,,,,RUZIUYOSRDWYQF-OAHLLOKOSA-N,,,,,,,,,,,
100.048.968,253-884-7,38325-25-6,"Hexahydro-2'3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]","2',3a-dimethylhexahydrospiro[1,3-dithiolo[4,5-b]furan-2,3'-furan] (non-preferred name)",CC1OCCC12SC3CCOC3(C)S2,CC1OCCC12SC3CCOC3(C)S2,"InChI=1/C10H16O2S2/c1-7-10(4-6-11-7)13-8-3-5-12-9(8,2)14-10/h7-8H,3-6H2,1-2H3",C10H16O2S2,,,,,,LGPJANFPSFABDB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.971,253-887-3,38337-32-5,"(1a,3aß,4a,7a,8aß)-hexahydro-1,4,10,10-tetramethyl-1H,4H,3a,8a-epoxy-4,7-methanoazulene","1,4,10,10-tetramethylhexahydro-1H,4H-3a,8a-epoxy-4,7-methanoazulene",CC1CCC23OC12CC4CCC3(C)C4(C)C,CC1CCC23OC12CC4CCC3(C)C4(C)C,"InChI=1/C15H24O/c1-10-5-8-15-13(4)7-6-11(12(13,2)3)9-14(10,15)16-15/h10-11H,5-9H2,1-4H3",C15H24O,,,,,,ITGOXMFOJUVODK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.248,257-491-1,51877-44-2,"N,N',N''-phosphoryltris[N-phenylpropane-2-sulphenamide]","N,N',N''-tris(isopropylsulfanyl)-N,N',N''-triphenylphosphoric triamide",CC(C)SN(c1ccccc1)P(=O)(N(SC(C)C)c2ccccc2)N(SC(C)C)c3ccccc3,CC(C)SN(c1ccccc1)P(=O)(N(SC(C)C)c2ccccc2)N(SC(C)C)c3ccccc3,"InChI=1/C27H36N3OPS3/c1-22(2)33-28(25-16-10-7-11-17-25)32(31,29(34-23(3)4)26-18-12-8-13-19-26)30(35-24(5)6)27-20-14-9-15-21-27/h7-24H,1-6H3",C27H36N3OPS3,,,,,,GGYCZPMPPFOWSU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.502,258-872-5,53933-48-5,Hydroxylammonium 4-methylbenzenesulphonate,hydroxyammonium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]O,Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]O,"InChI=1/C7H8O3S.H4NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-2/h2-5H,1H3,(H,8,9,10);2H,1H3/q;+1/p-1",C7H8O3S.H3NO,,,,,,PEHQDJBIJOXLEI-UHFFFAOYSA-M,,,,,,,,,,,
100.053.505,258-875-1,53939-27-8,(Z)-tetradec-9-enal,tetradec-9-enal,CCCC\\C=C/CCCCCCCC=O,CCCC\C=C/CCCCCCCC=O,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,14H,2-4,7-13H2,1H3",C14H26O,,,,,,ANJAOCICJSRZSR-WAYWQWQTSA-N,,,,,,,,,,,
100.050.121,255-152-2,40948-30-9,N-[3-(dimethylamino)propyl]benzamide,N-[3-(dimethylamino)propyl]benzamide,CN(C)CCCNC(=O)c1ccccc1,CN(C)CCCNC(=O)c1ccccc1,"InChI=1/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)",C12H18N2O,,,,,,UKXSMVIDPJCDAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.630,256-812-2,50862-24-3,"N'-[2-(methacryloyloxy)ethyl]-N,N,N,N',N'-pentamethyl-N,N'-(2-hydroxypropane-1,3-diyl)diammonium dichloride","2-hydroxy-N-[2-(methacryloyloxy)ethyl]-N,N,N',N',N'-pentamethylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].CC(=C)C(=O)OCC[N+](C)(C)CC(O)C[N+](C)(C)C,[Cl-].[Cl-].CC(=C)C(=O)OCC[N+](C)(C)CC(O)C[N+](C)(C)C,"InChI=1/C14H30N2O3.2ClH/c1-12(2)14(18)19-9-8-16(6,7)11-13(17)10-15(3,4)5;;/h13,17H,1,8-11H2,2-7H3;2*1H/q+2;;/p-2",C14H30N2O3.2Cl,,,,,,HNNQYELRKVFQMU-UHFFFAOYSA-L,,,,,,,,,,,
100.051.633,256-815-9,50865-01-5,"Disodium 3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionate","disodium 3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphine-2,18-diyl)dipropanoate",[Na+].[Na+].CC1=C(CCC(=O)[O-])C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)CCC(=O)[O-])C(=C4C=C)C)C(=C3C=C)C,[Na+].[Na+].CC1=C(CCC(=O)[O-])C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)CCC(=O)[O-])C(=C4C=C)C)C(=C3C=C)C,"InChI=1/C34H32N4O4.2Na/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);;/q;2*+1/p-2",C34H34N4O4.2Na,,,,,,YYHUFTBFRORWMO-UHFFFAOYSA-L,,,,,,,,,,,
100.051.645,256-829-5,50884-30-5,"Potassium 2,4-dichlorophenolate","potassium 2,4-dichlorophenolate",[K+].[O-]c1ccc(Cl)cc1Cl,[K+].[O-]c1ccc(Cl)cc1Cl,"InChI=1/C6H4Cl2O.K/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1",C6H4Cl2O.K,,,,,,AWMXXHDQRKEBOT-UHFFFAOYSA-M,,,,,,,,,,,
100.051.649,256-833-7,50893-37-3,Benzyl 3-thienylacetate,benzyl 3-thienylacetate,O=C(Cc1ccsc1)OCc2ccccc2,O=C(Cc1ccsc1)OCc2ccccc2,"InChI=1/C13H12O2S/c14-13(8-12-6-7-16-10-12)15-9-11-4-2-1-3-5-11/h1-7,10H,8-9H2",C13H12O2S,,,,,,AFYCAIBLAZNEIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.651,256-835-8,50904-50-2,"1-[(dimethylamino)(phenylimino)methyl]-3,3-dimethyl-1-phenylthiourea","1-[dimethyl(phenyl)carbamimidoyl]-3,3-dimethyl-1-phenylthiourea",CN(C)C(=S)N(C(=Nc1ccccc1)N(C)C)c2ccccc2,CN(C)C(=S)N(C(=Nc1ccccc1)N(C)C)c2ccccc2,"InChI=1/C18H22N4S/c1-20(2)17(19-15-11-7-5-8-12-15)22(18(23)21(3)4)16-13-9-6-10-14-16/h5-14H,1-4H3",C18H22N4S,,,,,,ZNEADDSVMDPULD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.656,256-841-0,50910-55-9,"2-amino-3,5-dibromobenzaldehyde","2-amino-3,5-dibromobenzaldehyde",Nc1c(Br)cc(Br)cc1C=O,Nc1c(Br)cc(Br)cc1C=O,"InChI=1/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2",C7H5Br2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5589,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.656,RCPAZWISSAVDEA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.664,256-849-4,50922-79-7,Tris(chloropropyl) phosphite,tris(1-chloropropyl) phosphite,CCC(Cl)OP(OC(Cl)CC)OC(Cl)CC,CCC(Cl)OP(OC(Cl)CC)OC(Cl)CC,"InChI=1/C9H18Cl3O3P/c1-4-7(10)13-16(14-8(11)5-2)15-9(12)6-3/h7-9H,4-6H2,1-3H3",C9H18Cl3O3P,,,,,,GEQKHRQOVQGSCV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.477,258-844-2,53892-20-9,1-methyl-4-[phenyl(thien-2-ylmethyl)ammonio]piperidinium maleate,1-methyl-4-[phenyl(2-thienylmethyl)ammonio]piperidinium but-2-enedioate,C[NH+]1CCC(CC1)[NH+](Cc2cccs2)c3ccccc3.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+]1CCC(CC1)[NH+](Cc2cccs2)c3ccccc3.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C17H22N2S.C4H4O4/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15;5-3(6)1-2-4(7)8/h2-8,13,16H,9-12,14H2,1H3;1-2H,(H,5,6)(H,7,8)",C17H22N2S.C4H4O4,,,,,,OYCQNZCKQWGYBZ-BTJKTKAUSA-N,,,,,,,,,,,
100.053.479,258-846-3,53892-71-0,"2,6-dimethyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)octa-2,4,6-trienal","2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-2,4,6-trienal",CC1(C)CCCC(\\C)=C1\\CC=C(C)C=CC=C(C)C=O,CC1(C)CCCC(\C)=C1\CC=C(C)C=CC=C(C)C=O,"InChI=1/C19H28O/c1-15(8-6-9-16(2)14-20)11-12-18-17(3)10-7-13-19(18,4)5/h6,8-9,11,14H,7,10,12-13H2,1-5H3",C19H28O,,,,,,QZDNGQHXXIMLFS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.487,258-855-2,53905-78-5,"1,4-anhydro-D-glucitol tetraacetate","2,3,5,6-tetra-O-acetyl-1,4-anhydro-D-glucitol",CC(=O)OC[C@@H](OC(=O)C)[C@H]1OC[C@H](OC(=O)C)[C@H]1OC(=O)C,CC(=O)OC[C@@H](OC(=O)C)[C@H]1OC[C@H](OC(=O)C)[C@H]1OC(=O)C,"InChI=1/C14H20O9/c1-7(15)19-5-11(21-8(2)16)13-14(23-10(4)18)12(6-20-13)22-9(3)17/h11-14H,5-6H2,1-4H3",C14H20O9,,,,,,XYTVZFGQLPBQQL-XJFOESAGSA-N,,,,,,,,,,,
100.053.496,258-865-7,53924-05-3,7-chloro-1H-indole,7-chloro-1H-indole,Clc1cccc2cc[nH]c12,Clc1cccc2cc[nH]c12,"InChI=1/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H",C8H6ClN,,,,,,WMYQAKANKREQLM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.726,255-818-2,42429-27-6,(S)-pyrrolidine-2-carboxamide monohydrochloride,L-prolinamide hydrochloride,Cl.NC(=O)[C@@H]1CCCN1,Cl.NC(=O)[C@@H]1CCCN1,"InChI=1/C5H10N2O.ClH/c6-5(8)4-2-1-3-7-4;/h4,7H,1-3H2,(H2,6,8);1H",C5H10N2O.ClH,,,,,,CSKSDAVTCKIENY-WCCKRBBISA-N,,,,,,,,,,,
100.050.731,255-824-5,42434-98-0,a-hydroxy-a-methyl-3-phenylbenzofuran-7-acetic acid,2-hydroxy-2-(3-phenyl-1-benzofuran-7-yl)propanoic acid,CC(O)(C(=O)O)c1cccc2c(coc12)c3ccccc3,CC(O)(C(=O)O)c1cccc2c(coc12)c3ccccc3,"InChI=1/C17H14O4/c1-17(20,16(18)19)14-9-5-8-12-13(10-21-15(12)14)11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,19)",C17H14O4,,,,,,OVJJASWJBZNICC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.733,255-826-6,42436-07-7,(Z)-hex-3-enyl phenylacetate,hex-3-en-1-yl phenylacetate,CC\\C=C/CCOC(=O)Cc1ccccc1,CC\C=C/CCOC(=O)Cc1ccccc1,"InChI=1/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3",C14H18O2,,,,,,FJKFIIYSBXHBCT-ARJAWSKDSA-N,,,,,,,,,,,
100.050.736,255-829-2,42450-16-8,"4,4'-carbonimidoylbis[N,N-diethylaniline]","4,4'-carbonimidoylbis(N,N-diethylaniline)",CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC,CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC,"InChI=1/C21H29N3/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4/h9-16,22H,5-8H2,1-4H3",C21H29N3,,,,,,HPKYMNAXAKNZCR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.740,255-833-4,42459-68-7,Tris(2-hydroxyethyl)ammonium 4-chloro-o-tolyloxyacetate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium (4-chloro-2-methylphenoxy)acetate",Cc1cc(Cl)ccc1OCC(=O)[O-].OCC[NH+](CCO)CCO,Cc1cc(Cl)ccc1OCC(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C9H9ClO3.C6H15NO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;8-4-1-7(2-5-9)3-6-10/h2-4H,5H2,1H3,(H,11,12);8-10H,1-6H2",C9H9ClO3.C6H15NO3,,,,,,LWZVSTQWRNKGPB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.748,255-842-3,42480-72-8,Sodium 3-[(ethylanilino)methyl]benzenesulphonate,sodium 3-{[(2-ethylphenyl)amino]methyl}benzenesulfonate,[Na+].CCc1ccccc1NCc2cccc(c2)S(=O)(=O)[O-],[Na+].CCc1ccccc1NCc2cccc(c2)S(=O)(=O)[O-],"InChI=1/C15H17NO3S.Na/c1-2-13-7-3-4-9-15(13)16-11-12-6-5-8-14(10-12)20(17,18)19;/h3-10,16H,2,11H2,1H3,(H,17,18,19);/q;+1/p-1",C15H17NO3S.Na,,,,,,BJHYURYBAHDTLS-UHFFFAOYSA-M,,,,,,,,,,,
100.048.614,253-495-2,37408-22-3,"Potassium 2,4-di-tert-butylphenolate","potassium 2,4-di-tert-butylphenolate",[K+].CC(C)(C)c1ccc([O-])c(c1)C(C)(C)C,[K+].CC(C)(C)c1ccc([O-])c(c1)C(C)(C)C,"InChI=1/C14H22O.K/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;/h7-9,15H,1-6H3;/q;+1/p-1",C14H22O.K,,,,,,XBWFRVWGZIYGOM-UHFFFAOYSA-M,,,,,,,,,,,
100.048.616,253-497-3,37413-91-5,"21-hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate","3,20-dioxopregna-1,4,9(11),16-tetraen-21-yl acetate",CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C,CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C,"InChI=1/C23H26O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7-10,12,17-18H,4-6,11,13H2,1-3H3",C23H26O4,,,,,,UFEOMHFPJREVTP-PTRHGPIFSA-N,,,,,,,,,,,
100.048.618,253-499-4,37414-03-2,19-iodocholest-5-en-3ß-ol,19-iodocholest-5-en-3-ol,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@]12C,"InChI=1/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3",C27H45IO,,,,,,FIOAEFCJGZJUPW-FTLVODPJSA-N,,,,,,,,,,,
100.048.624,253-506-0,37439-34-2,"Sodium 3,5,6-trichloropyridin-2-olate","sodium 3,5,6-trichloropyridin-2-olate",[Na+].[O-]c1nc(Cl)c(Cl)cc1Cl,[Na+].[O-]c1nc(Cl)c(Cl)cc1Cl,"InChI=1/C5H2Cl3NO.Na/c6-2-1-3(7)5(10)9-4(2)8;/h1H,(H,9,10);/q;+1/p-1",C5H2Cl3NO.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11175,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.624,JAWYJCBOOSFRKD-UHFFFAOYSA-M,,,,,,,,,,,
100.050.125,255-156-4,40950-57-0,(5ß)-3ß-[(6-deoxy-ß-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide,3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide,C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@@H](O)[C@@H]1O,C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3",C29H44O8,,,,,,WQMLFJWIKARBFW-QYLLKCSRSA-N,,,,,,,,,,,
100.050.127,255-159-0,40952-11-2,N-tetradecylacrylamide,N-tetradecylacrylamide,CCCCCCCCCCCCCCNC(=O)C=C,CCCCCCCCCCCCCCNC(=O)C=C,"InChI=1/C17H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)4-2/h4H,2-3,5-16H2,1H3,(H,18,19)",C17H33NO,,,,,,DBLNSVZHOZOZQX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.142,255-175-8,41014-93-1,(S)-2-hydroxyvaleric acid,2-hydroxypentanoic acid,CCC[C@H](O)C(=O)O,CCC[C@H](O)C(=O)O,"InChI=1/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",C5H10O3,,,,,,JRHWHSJDIILJAT-BYPYZUCNSA-N,,,,,,,,,,,
100.050.153,255-187-3,41051-14-3,Ethyl 4-ethoxy-3-oxobutyrate,ethyl 4-ethoxy-3-oxobutanoate,CCOCC(=O)CC(=O)OCC,CCOCC(=O)CC(=O)OCC,"InChI=1/C8H14O4/c1-3-11-6-7(9)5-8(10)12-4-2/h3-6H2,1-2H3",C8H14O4,,,,,,RQCOPVYEHVOEMR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.154,255-188-9,41051-15-4,Methyl 4-methoxy-3-oxobutyrate,methyl 4-methoxy-3-oxobutanoate,COCC(=O)CC(=O)OC,COCC(=O)CC(=O)OC,"InChI=1/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3",C6H10O4,,,,,,QGBPKJFJAVDUNC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.141,261-775-0,59467-94-6,"8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine monomaleate","8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine but-2-enedioate",Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12.OC(=O)\\C=C/C(=O)O,Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12.OC(=O)\C=C/C(=O)O,"InChI=1/C18H13ClFN3.C4H4O4/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)",C18H13ClFN3.C4H4O4,,,,,,XYGVIBXOJOOCFR-BTJKTKAUSA-N,,,,,,,,,,,
100.057.529,263-301-8,61891-06-3,"1-methyl-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium","4-[2-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-1-ium-2-yl)methylene]butylidene}-5-phenyl-1,3-benzoxazol-3(2H)-yl]butane-2-sulfonate",[O-]S(=O)(=O)C(C)CCN4c5cc(ccc5OC4=CC(CC)=Cc3sc2ccc1ccccc1c2[n+]3C)c6ccccc6,[O-]S(=O)(=O)C(C)CCN4c5cc(ccc5OC4=CC(CC)=Cc3sc2ccc1ccccc1c2[n+]3C)c6ccccc6,"InChI=1/C34H32N2O4S2/c1-4-24(21-33-35(3)34-28-13-9-8-12-26(28)15-17-31(34)41-33)20-32-36(19-18-23(2)42(37,38)39)29-22-27(14-16-30(29)40-32)25-10-6-5-7-11-25/h5-17,20-23H,4,18-19H2,1-3H3",C34H32N2O4S2,,,,,,UTWDDUSYMGRCJC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.535,263-308-6,61898-95-1,"Methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",COC(=O)C1C(C=C(Cl)Cl)C1(C)C,COC(=O)C1C(C=C(Cl)Cl)C1(C)C,"InChI=1/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3",C9H12Cl2O2,,,,,,QJOOIMSFFIUFKX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.540,263-313-3,61906-38-5,"5-oxo-L-proline, compound with (S)-3-(tert-butylamino)propane-1,2-diol (1:1)","5-oxo-L-proline - 3-(tert-butylamino)propane-1,2-diol (1:1)",CC(C)(C)NC[C@H](O)CO.OC(=O)[C@@H]1CCC(=O)N1,CC(C)(C)NC[C@H](O)CO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C7H17NO2.C5H7NO3/c1-7(2,3)8-4-6(10)5-9;7-4-2-1-3(6-4)5(8)9/h6,8-10H,4-5H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C7H17NO2.C5H7NO3,,,,,,SYUKFOHBOMZHBA-QPFDAVBJSA-N,,,,,,,,,,,
100.057.542,263-315-4,61912-28-5,"N,N'''-dodecane-1,12-diylbis[1,3,5-triazine-2,4,6-triamine]","N~2~,N~2~'-dodecane-1,12-diylbis(1,3,5-triazine-2,4,6-triamine)",Nc1nc(N)nc(NCCCCCCCCCCCCNc2nc(N)nc(N)n2)n1,Nc1nc(N)nc(NCCCCCCCCCCCCNc2nc(N)nc(N)n2)n1,"InChI=1/C18H34N12/c19-13-25-14(20)28-17(27-13)23-11-9-7-5-3-1-2-4-6-8-10-12-24-18-29-15(21)26-16(22)30-18/h1-12H2,(H5,19,20,23,25,27,28)(H5,21,22,24,26,29,30)",C18H34N12,,,,,,DVBLMQVWQDZIIF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.555,263-330-6,61931-68-8,2-methyl-5-phenylbenzoxazole,"2-methyl-5-phenyl-1,3-benzoxazole",Cc1oc2ccc(cc2n1)c3ccccc3,Cc1oc2ccc(cc2n1)c3ccccc3,"InChI=1/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3",C14H11NO,,,,,,CHZDPBVCBBQQRP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.556,263-331-1,61931-71-3,"Ethyl 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoate","ethyl 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoate",CCOC(=O)c1ccccc1C(c2cc(Br)c(O)c(Br)c2)c3cc(Br)c(O)c(Br)c3,CCOC(=O)c1ccccc1C(c2cc(Br)c(O)c(Br)c2)c3cc(Br)c(O)c(Br)c3,"InChI=1/C22H16Br4O4/c1-2-30-22(29)14-6-4-3-5-13(14)19(11-7-15(23)20(27)16(24)8-11)12-9-17(25)21(28)18(26)10-12/h3-10,19,27-28H,2H2,1H3",C22H16Br4O4,,,,,,KFSRWWJHWXPGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.071,263-898-5,63133-84-6,"6-[(2-chloro-4,6-dinitrophenyl)azo]-3,4-dihydro-2,2,4,7-tetramethyl-2H-quinoline-1-ethanol","2-{6-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1(2H)-yl}ethanol",[O-][N+](=O)c3cc(cc(Cl)c3N=Nc1cc2c(cc1C)N(CCO)C(C)(C)CC2C)[N+]([O-])=O,[O-][N+](=O)c3cc(cc(Cl)c3N=Nc1cc2c(cc1C)N(CCO)C(C)(C)CC2C)[N+]([O-])=O,"InChI=1/C21H24ClN5O5/c1-12-7-18-15(13(2)11-21(3,4)25(18)5-6-28)10-17(12)23-24-20-16(22)8-14(26(29)30)9-19(20)27(31)32/h7-10,13,28H,5-6,11H2,1-4H3",C21H24ClN5O5,,,,,,NPSSNNKRWJZRQW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.074,263-902-5,63133-91-5,4-hydroxyphenyl octanoate,4-hydroxyphenyl octanoate,CCCCCCCC(=O)Oc1ccc(O)cc1,CCCCCCCC(=O)Oc1ccc(O)cc1,"InChI=1/C14H20O3/c1-2-3-4-5-6-7-14(16)17-13-10-8-12(15)9-11-13/h8-11,15H,2-7H2,1H3",C14H20O3,,,,,,LFSWQJOBXQBXAT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.075,263-903-0,63133-94-8,N-[2-[[4-[(2-chloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]phthalimide,"2-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethyl}-1H-isoindole-1,3(2H)-dione",[O-][N+](=O)c4ccc(N=Nc1ccc(cc1C)N(CC)CCN3C(=O)c2ccccc2C3=O)c(Cl)c4,[O-][N+](=O)c4ccc(N=Nc1ccc(cc1C)N(CC)CCN3C(=O)c2ccccc2C3=O)c(Cl)c4,"InChI=1/C25H22ClN5O4/c1-3-29(12-13-30-24(32)19-6-4-5-7-20(19)25(30)33)17-8-10-22(16(2)14-17)27-28-23-11-9-18(31(34)35)15-21(23)26/h4-11,14-15H,3,12-13H2,1-2H3",C25H22ClN5O4,,,,,,IDFURFDINRJNOG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.076,263-904-6,63133-99-3,2-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-N-[3-[ethyl(phenylmethyl)amino]phenyl]acetamide,N-{3-[benzyl(ethyl)amino]phenyl}-2-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}acetamide,Clc3cc(ccc3N=NCC(=O)Nc1cccc(c1)N(Cc2ccccc2)CC)S(C)(=O)=O,Clc3cc(ccc3N=NCC(=O)Nc1cccc(c1)N(Cc2ccccc2)CC)S(C)(=O)=O,"InChI=1/C24H25ClN4O3S/c1-3-29(17-18-8-5-4-6-9-18)20-11-7-10-19(14-20)27-24(30)16-26-28-23-13-12-21(15-22(23)25)33(2,31)32/h4-15H,3,16-17H2,1-2H3,(H,27,30)",C24H25ClN4O3S,,,,,,OCZYDPDMWMVEFX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.080,263-908-8,63134-04-3,N-[3-(ethylamino)-4-methylphenyl]acetamide,N-[3-(ethylamino)-4-methylphenyl]acetamide,CCNc1cc(NC(=O)C)ccc1C,CCNc1cc(NC(=O)C)ccc1C,"InChI=1/C11H16N2O/c1-4-12-11-7-10(13-9(3)14)6-5-8(11)2/h5-7,12H,4H2,1-3H3,(H,13,14)",C11H16N2O,,,,,,MRNDZGBBVKUGJY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.979,253-896-2,38353-06-9,5-bromo-1H-pyrimidin-2-one,5-bromopyrimidin-2(1H)-one,BrC1=CNC(=O)N=C1,BrC1=CNC(=O)N=C1,"InChI=1/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)",C4H3BrN2O,,,,,,VTUDATOSQGYWML-UHFFFAOYSA-N,,,,,,,,,,,
100.048.986,253-903-9,38363-23-4,Dodec-2-enyl acetate,dodec-2-en-1-yl acetate,CC(=O)OCC=CCCCCCCCCC,CC(=O)OCC=CCCCCCCCCC,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h11-12H,3-10,13H2,1-2H3",C14H26O2,,,,,,AMIUTTABDVIFDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.224,259-666-8,55487-93-9,7-[(6-deoxy-ß-D-galactopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl 6-deoxy-beta-D-galactopyranoside,C[C@H]1O[C@@H](Oc2ccc3C(=CC(=O)Oc3c2)C)[C@H](O)[C@@H](O)[C@H]1O,C[C@H]1O[C@@H](Oc2ccc3C(=CC(=O)Oc3c2)C)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3",C16H18O7,,,,,,CQKHENXHLAUMBH-OSLYUKSHSA-N,,,,,,,,,,,
100.054.225,259-667-3,55488-18-1,Iron(3+) acrylate,iron(3+) triacrylate,[Fe+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Fe+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/3C3H4O2.Fe/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3",C3H4O2.1/3Fe,,,,,,WNWBIDPJHFYYLM-UHFFFAOYSA-K,,,,,,,,,,,
100.054.226,259-668-9,55488-51-2,Decyl chloroformate,decyl chlorocarbonate,CCCCCCCCCCOC(=O)Cl,CCCCCCCCCCOC(=O)Cl,"InChI=1/C11H21ClO2/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2-10H2,1H3",C11H21ClO2,,,,,,AZZCHVHSWUYCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.230,259-673-6,55491-44-6,Calcium strontium bis[3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate],calcium strontium bis[3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate],[Ca+2].[Sr+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O.[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Ca+2].[Sr+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O.[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/2C18H14N2O6S.Ca.Sr/c2*1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2*2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;;2*+2/p-4",C18H14N2O6S.1/2Ca.1/2Sr,,,,,,DMCIOJSMBNVCHJ-UHFFFAOYSA-J,,,,,,,,,,,
100.054.244,259-688-8,55514-48-2,Ethyl 2-methyl-2-butenoate,ethyl 2-methylbut-2-enoate,CC(=CC)C(=O)OCC,CC(=CC)C(=O)OCC,"InChI=1/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3",C7H12O2,,,,,,OAPHLAAOJMTMLY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.245,259-689-3,55519-21-6,"Cyclooct-5-ene-1,2-diol","cyclooct-5-ene-1,2-diol",OC1CCC=CCCC1O,OC1CCC=CCCC1O,"InChI=1/C8H14O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7-10H,3-6H2",C8H14O2,,,,,,JWEYNDRAHPIRPI-UPHRSURJSA-N,,,,,,,,,,,
100.048.375,253-230-0,36823-84-4,4-pentyloxybenzoyl chloride,4-(pentyloxy)benzoyl chloride,CCCCCOc1ccc(cc1)C(=O)Cl,CCCCCOc1ccc(cc1)C(=O)Cl,"InChI=1/C12H15ClO2/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3",C12H15ClO2,,,,,,IBQDPNHVFRFCFK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.379,253-234-2,36837-97-5,"Dithiodi-2,1-ethanediyl bismethacrylate","disulfanediyldiethane-2,1-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCSSCCOC(=O)C(=C)C,CC(=C)C(=O)OCCSSCCOC(=O)C(=C)C,"InChI=1/C12H18O4S2/c1-9(2)11(13)15-5-7-17-18-8-6-16-12(14)10(3)4/h1,3,5-8H2,2,4H3",C12H18O4S2,,,,,,CGDNFXSLPGLMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.381,253-236-3,36842-29-2,5-ethylidene-3-hydroxy-4-methylfuran-2(5H)-one,5-ethylidene-3-hydroxy-4-methylfuran-2(5H)-one,CC=1C(=CC)OC(=O)C=1O,CC=1C(=CC)OC(=O)C=1O,"InChI=1/C7H8O3/c1-3-5-4(2)6(8)7(9)10-5/h3,8H,1-2H3",C7H8O3,,,,,,IPTJXHCVSMNBMI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.384,253-240-5,36847-51-5,"Ethyl 2,4-dibromobutyrate","ethyl 2,4-dibromobutanoate",CCOC(=O)C(Br)CCBr,CCOC(=O)C(Br)CCBr,"InChI=1/C6H10Br2O2/c1-2-10-6(9)5(8)3-4-7/h5H,2-4H2,1H3",C6H10Br2O2,,,,,,VNXZZPZKCMJBME-UHFFFAOYSA-N,,,,,,,,,,,
100.048.391,253-247-3,36876-13-8,Isopropyl(isopropylphenyl)benzene,"2,2'-diisopropylbiphenyl",CC(C)c2ccccc2c1ccccc1C(C)C,CC(C)c2ccccc2c1ccccc1C(C)C,"InChI=1/C18H22/c1-13(2)15-9-5-7-11-17(15)18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3",C18H22,,,,,,MZVCUTVPCIOAJD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.211,255-251-0,41186-03-2,1-(m-tolyl)piperazine,1-(3-methylphenyl)piperazine,Cc1cccc(c1)N2CCNCC2,Cc1cccc(c1)N2CCNCC2,"InChI=1/C11H16N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3",C11H16N2,,,,,,JIWHIRLNKIUYSM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.215,255-255-2,41198-08-7,O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate,O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate,CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl,CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl,"InChI=1/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3",C11H15BrClO3PS,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16045,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.215,QYMMJNLHFKGANY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.218,255-258-9,41200-96-8,"2,4-dichloro-5-isopropoxyaniline","2,4-dichloro-5-isopropoxyaniline",CC(C)Oc1cc(N)c(Cl)cc1Cl,CC(C)Oc1cc(N)c(Cl)cc1Cl,"InChI=1/C9H11Cl2NO/c1-5(2)13-9-4-8(12)6(10)3-7(9)11/h3-5H,12H2,1-2H3",C9H11Cl2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12596,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.218,RWRWIICNMOKBIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.498,258-867-8,53926-87-7,"Benzoic acid, compound with 2,2'-iminobisethanol (1:1)","2,2'-iminodiethanol benzoate (salt)",OCCNCCO.OC(=O)c1ccccc1,OCCNCCO.OC(=O)c1ccccc1,"InChI=1/C7H6O2.C4H11NO2/c8-7(9)6-4-2-1-3-5-6;6-3-1-5-2-4-7/h1-5H,(H,8,9);5-7H,1-4H2",C7H6O2.C4H11NO2,,,,,,WPRSXOFWYFTXTA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.626,253-508-1,37449-19-7,Manganese(II) isooctanoate,manganese(2+) bis(6-methylheptanoate),[Mn+2].[O-]C(=O)CCCCC(C)C.CC(C)CCCCC([O-])=O,[Mn+2].[O-]C(=O)CCCCC(C)C.CC(C)CCCCC([O-])=O,"InChI=1/2C8H16O2.Mn/c2*1-7(2)5-3-4-6-8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Mn,,,,,,LSKJZEDMESDBLU-UHFFFAOYSA-L,,,,,,,,,,,
100.048.633,253-516-5,37467-65-5,"1-(3,5-diethyl-2,6-dihydroxyphenyl)ethan-1-one","1-(3,5-diethyl-2,6-dihydroxyphenyl)ethanone",CCc1cc(CC)c(O)c(C(=O)C)c1O,CCc1cc(CC)c(O)c(C(=O)C)c1O,"InChI=1/C12H16O3/c1-4-8-6-9(5-2)12(15)10(7(3)13)11(8)14/h6,14-15H,4-5H2,1-3H3",C12H16O3,,,,,,NAIUVEYPIKQZIB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.634,253-517-0,37470-13-6,Flavodic acid,"2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-diyl)bis(oxy)]diacetic acid",OC(=O)COc1cc(OCC(=O)O)c2C(=O)C=C(Oc2c1)c3ccccc3,OC(=O)COc1cc(OCC(=O)O)c2C(=O)C=C(Oc2c1)c3ccccc3,"InChI=1/C19H14O8/c20-13-8-14(11-4-2-1-3-5-11)27-16-7-12(25-9-17(21)22)6-15(19(13)16)26-10-18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)",C19H14O8,,,,,,IGCSSLDDCHLXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.643,253-527-5,37492-26-5,Ethyl 2-methylheptanoate,ethyl 2-methylheptanoate,CCCCCC(C)C(=O)OCC,CCCCCC(C)C(=O)OCC,"InChI=1/C10H20O2/c1-4-6-7-8-9(3)10(11)12-5-2/h9H,4-8H2,1-3H3",C10H20O2,,,,,,GGJCZSUQNJRNNU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.646,253-530-1,37494-03-4,[3-(1-ethoxyethoxy)propyl]lithium,[3-(1-ethoxyethoxy)propyl]lithium,[Li]CCCOC(C)OCC,[Li]CCCOC(C)OCC,"InChI=1/C7H15O2.Li/c1-4-6-9-7(3)8-5-2;/h7H,1,4-6H2,2-3H3;/rC7H15LiO2/c1-3-9-7(2)10-6-4-5-8/h7H,3-6H2,1-2H3",C7H15LiO2,,,,,,LXYIXJJWHUOJBY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.410,255-470-1,41625-65-4,"(4-nitrophenyl)methyl [2S-(2a,4ß,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide","4-nitrobenzyl 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide",CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OCc4ccc(cc4)N(=O)=O,CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OCc4ccc(cc4)N(=O)=O,"InChI=1/C23H23N3O8S/c1-23(2)19(22(29)34-12-14-8-10-15(11-9-14)26(30)31)25-20(28)18(21(25)35(23)32)24-17(27)13-33-16-6-4-3-5-7-16/h3-11,18-19,21H,12-13H2,1-2H3,(H,24,27)",C23H23N3O8S,,,,,,WNMFNGGUHIIQJE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.418,255-479-0,41654-51-7,"1-(4,6-diethoxy-1,3,5-triazin-2-yl)-1-methylpiperidinium tetrafluoroborate","1-(4,6-diethoxy-1,3,5-triazin-2-yl)-1-methylpiperidinium tetrafluoroborate",CCOc1nc(OCC)nc(n1)[N+]2(C)CCCCC2.F[B-](F)(F)F,CCOc1nc(OCC)nc(n1)[N+]2(C)CCCCC2.F[B-](F)(F)F,"InChI=1/C13H23N4O2.BF4/c1-4-18-12-14-11(15-13(16-12)19-5-2)17(3)9-7-6-8-10-17;2-1(3,4)5/h4-10H2,1-3H3;/q+1;-1",C13H23N4O2.BF4,,,,,,ZTVOUYKTAOUVJH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.422,255-483-2,41663-84-7,N-methyl-4-nitrophthalimide,"2-methyl-5-nitro-1H-isoindole-1,3(2H)-dione",CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-],CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-],"InChI=1/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3",C9H6N2O4,,,,,,JBCHWGTZAAZJKG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.425,255-486-9,41669-40-3,Tris(2-hydroxyethyl)ammonium myristate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium myristate",CCCCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C14H28O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;8-4-1-7(2-5-9)3-6-10/h2-13H2,1H3,(H,15,16);8-10H,1-6H2",C14H28O2.C6H15NO3,,,,,,IHUMNXSBUOIDQI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.426,255-487-4,41670-36-4,"Sodium O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-D-tyrosinate","sodium 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate",[Na+].N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-],[Na+].N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-],"InChI=1/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1",C15H12I3NO4.Na,,,,,,SBXXSUDPJJJJLC-UTONKHPSSA-M,,,,,,,,,,,
100.050.437,255-500-3,41683-62-9,"1,2-dichloro-1-methoxyethane","1,2-dichloro-1-methoxyethane",COC(Cl)CCl,COC(Cl)CCl,"InChI=1/C3H6Cl2O/c1-6-3(5)2-4/h3H,2H2,1H3",C3H6Cl2O,,,,,,LXEOQHPAKLYXTH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.439,255-502-4,41692-90-4,1-(triphenylphosphoranylidene)octan-2-one,1-(triphenylphosphoranylidene)octan-2-one,CCCCCCC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3,CCCCCCC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C26H29OP/c1-2-3-4-8-15-23(27)22-28(24-16-9-5-10-17-24,25-18-11-6-12-19-25)26-20-13-7-14-21-26/h5-7,9-14,16-22H,2-4,8,15H2,1H3",C26H29OP,,,,,,HENGQDHJJRVEDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.441,255-505-0,41708-72-9,Tocainide,"N-(2,6-dimethylphenyl)alaninamide",CC(N)C(=O)Nc1c(C)cccc1C,CC(N)C(=O)Nc1c(C)cccc1C,"InChI=1/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)",C11H16N2O,,,,,,BUJAGSGYPOAWEI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.922,257-133-4,51317-24-9,"Nitroresorcinol, lead salt",-,[Pb].O=[N+]([O-])\\C\\1=C(/O)\\C=C/C=C/1/O,[Pb].O=[N+]([O-])\C\1=C(/O)\C=C/C=C/1/O,"InChI=1/C6H5NO4.Pb.2H/c8-4-2-1-3-5(9)6(4)7(10)11;;;/h1-3,8-9H;;;/q;+4;;/rC6H5NO4.H2Pb/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,8-9H;1H2/q;+4",C6H5NO4.xPb,,,,,,NBFVKHBJRZVOSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.925,257-137-6,51325-91-8,[2-[2-[4-(dimethylamino)phenyl]vinyl]-6-methyl-4H-pyran-4-ylidene]malononitrile,(2-{2-[4-(dimethylamino)phenyl]vinyl}-6-methyl-4H-pyran-4-ylidene)malononitrile,CN(C)c1ccc(\\C=C\\C2=CC(=C(C#N)C#N)C=C(C)O2)cc1,CN(C)c1ccc(\C=C\C2=CC(=C(C#N)C#N)C=C(C)O2)cc1,"InChI=1/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3",C19H17N3O,,,,,,YLYPIBBGWLKELC-RMKNXTFCSA-N,,,,,,,,,,,
100.051.926,257-138-1,51326-37-5,"2,2,2-trichloro-1-[4-(1,1-dimethylethyl)phenyl]ethan-1-one","1-(4-tert-butylphenyl)-2,2,2-trichloroethanone",CC(C)(C)c1ccc(cc1)C(=O)C(Cl)(Cl)Cl,CC(C)(C)c1ccc(cc1)C(=O)C(Cl)(Cl)Cl,"InChI=1/C12H13Cl3O/c1-11(2,3)9-6-4-8(5-7-9)10(16)12(13,14)15/h4-7H,1-3H3",C12H13Cl3O,,,,,,IMDHDEPPVWETOI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.929,257-141-8,51338-27-3,"Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate","methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate",COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,"InChI=1/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3",C16H14Cl2O4,,,,,,BACHBFVBHLGWSL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.931,257-143-9,51347-64-9,2-[2-(cyclohexylimino)-7-(diethylamino)-2H-1-benzopyran-3-yl]quinazolin-4(1H)-one,2-[2-(cyclohexylimino)-7-(diethylamino)-2H-chromen-3-yl]quinazolin-4(1H)-one,CCN(CC)c2ccc3\\C=C(/C(=NC1CCCCC1)Oc3c2)\\C=5Nc4ccccc4C(=O)N=5,CCN(CC)c2ccc3\C=C(/C(=NC1CCCCC1)Oc3c2)\C=5Nc4ccccc4C(=O)N=5,"InChI=1/C27H30N4O2/c1-3-31(4-2)20-15-14-18-16-22(25-29-23-13-9-8-12-21(23)26(32)30-25)27(33-24(18)17-20)28-19-10-6-5-7-11-19/h8-9,12-17,19H,3-7,10-11H2,1-2H3,(H,29,30,32)",C27H30N4O2,,,,,,BTEBLYWASRSEID-UHFFFAOYSA-N,,,,,,,,,,,
100.051.933,257-146-5,51349-86-1,"5-nitro-1H-benzimidazole, sodium salt",sodium 5-nitrobenzimidazol-1-ide,[Na]n1cnc2cc(ccc12)N(=O)=O,[Na]n1cnc2cc(ccc12)N(=O)=O,InChI=1/C7H4N3O2.Na/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;/h1-4H;/q-1;+1/rC7H4N3NaO2/c11-9-4-8-6-3-5(10(12)13)1-2-7(6)9/h1-4H,C7H5N3O2.Na,,,,,,QDTXMHPOJKYAJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.934,257-147-0,51349-94-1,Manganese hydrogen phosphate,manganese(2+) hydrogen phosphate,[Mn+2].[O-]P(=O)([O-])[O-],[Mn+2].[O-]P(=O)([O-])[O-],"InChI=1/Mn.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-3",H3O4P.Mn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10741,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.934,CPSYWNLKRDURMG-UHFFFAOYSA-K,,,,,,,,,,,
100.051.949,257-163-8,51375-45-2,Trichlorododecylstannane,trichloro(dodecyl)stannane,CCCCCCCCCCCC[Sn](Cl)(Cl)Cl,CCCCCCCCCCCC[Sn](Cl)(Cl)Cl,"InChI=1/C12H25.3ClH.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;;;;/h1,3-12H2,2H3;3*1H;/q;;;;+3/p-3/rC12H25Cl3Sn/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3",C12H25Cl3Sn,,,,,,QONBXEOLXRAITN-UHFFFAOYSA-K,,,,,,,,,,,
100.051.950,257-164-3,51376-18-2,"2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium (p-tolylsulphonate)","2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].C2CCC3=[N+](CC2)CCCN3,Cc1ccc(cc1)S(=O)(=O)[O-].C2CCC3=[N+](CC2)CCCN3,"InChI=1/C9H16N2.C7H8O3S/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H2;2-5H,1H3,(H,8,9,10)",C9H16N2.C7H8O3S,,,,,,VAIAHWBLSPENDF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.951,257-165-9,51379-07-8,"7,7'-[phosphinicobis(oxy)]bis[4-methyl-2H-1-benzopyran-2-one]",bis(4-methyl-2-oxo-2H-chromen-7-yl) hydrogen phosphate,CC1=CC(=O)Oc2cc(OP(=O)(O)Oc3ccc4C(=CC(=O)Oc4c3)C)ccc12,CC1=CC(=O)Oc2cc(OP(=O)(O)Oc3ccc4C(=CC(=O)Oc4c3)C)ccc12,"InChI=1/C20H15O8P/c1-11-7-19(21)25-17-9-13(3-5-15(11)17)27-29(23,24)28-14-4-6-16-12(2)8-20(22)26-18(16)10-14/h3-10H,1-2H3,(H,23,24)",C20H15O8P,,,,,,FEGSOIMPQDYXJD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.955,257-170-6,51388-20-6,4-benzyloxyaniline hydrochloride,4-(benzyloxy)aniline hydrochloride,Cl.Nc1ccc(OCc2ccccc2)cc1,Cl.Nc1ccc(OCc2ccccc2)cc1,"InChI=1/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H",C13H13NO.ClH,,,,,,KQBDLOVXZHOAJI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.957,257-172-7,51390-22-8,"1,4-diazoniabicyclo[2.2.2]octane diacetate","1,4-diazoniabicyclo[2.2.2]octane diacetate",CC(=O)[O-].CC(=O)[O-].C1C[NH+]2CC[NH+]1CC2,CC(=O)[O-].CC(=O)[O-].C1C[NH+]2CC[NH+]1CC2,"InChI=1/C6H12N2.2C2H4O2/c1-2-8-5-3-7(1)4-6-8;2*1-2(3)4/h1-6H2;2*1H3,(H,3,4)",C6H12N2.2C2H4O2,,,,,,RKUAEGPJBZAVCE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.898,253-807-7,38160-52-0,3-(dodecylthio)propionaldehyde,3-(dodecylsulfanyl)propanal,CCCCCCCCCCCCSCCC=O,CCCCCCCCCCCCSCCC=O,"InChI=1/C15H30OS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h13H,2-12,14-15H2,1H3",C15H30OS,,,,,,OZHOOMFSHZDMMS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.082,263-910-9,63134-12-3,N-(3-amino-4-chlorophenyl)hexadecane-1-sulphonamide,N-(3-amino-4-chlorophenyl)hexadecane-1-sulfonamide,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(N)c1,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(N)c1,"InChI=1/C22H39ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28(26,27)25-20-16-17-21(23)22(24)19-20/h16-17,19,25H,2-15,18,24H2,1H3",C22H39ClN2O2S,,,,,,ZILOAZTVOLFCRO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.083,263-911-4,63134-14-5,2-ethylamino-4-aminotoluene,"N~3~-ethyl-4-methylbenzene-1,3-diamine",CCNc1cc(N)ccc1C,CCNc1cc(N)ccc1C,"InChI=1/C9H14N2/c1-3-11-9-6-8(10)5-4-7(9)2/h4-6,11H,3,10H2,1-2H3",C9H14N2,,,,,,MLYFGLAUZWJGCX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.089,263-918-2,63134-29-2,"4-[2,4-bis(tert-pentyl)phenoxy]-N-(4-chloro-3-nitrophenyl)butyramide","4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(c2)[N+](=O)[O-])c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(c2)[N+](=O)[O-])c(c1)C(C)(C)CC,"InChI=1/C26H35ClN2O4/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)33-15-9-10-24(30)28-19-12-13-21(27)22(17-19)29(31)32/h11-14,16-17H,7-10,15H2,1-6H3,(H,28,30)",C26H35ClN2O4,,,,,,ZUAUHOGKVXHHOK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.091,263-920-3,63134-33-8,p-[[p-benzyloxyphenyl]sulphonyl]phenol,4-{[4-(benzyloxy)phenyl]sulfonyl}phenol,Oc1ccc(cc1)S(=O)(=O)c2ccc(OCc3ccccc3)cc2,Oc1ccc(cc1)S(=O)(=O)c2ccc(OCc3ccccc3)cc2,"InChI=1/C19H16O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15/h1-13,20H,14H2",C19H16O4S,,,,,,UWPJWCBDMZHMTN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.460,265-425-8,65104-54-3,"N-tetradecyl-ß-alanine, compound with 2,2'-iminodiethanol (1:1)","N-tetradecyl-beta-alanine - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCCCNCCC(=O)O.OCCNCCO,CCCCCCCCCCCCCCNCCC(=O)O.OCCNCCO,"InChI=1/C17H35NO2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;6-3-1-5-2-4-7/h18H,2-16H2,1H3,(H,19,20);5-7H,1-4H2",C17H35NO2.C4H11NO2,,,,,,DZLADQJYQHRVSM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.467,265-433-1,65104-61-2,Bis(2-hydroxyethyl)ammonium tetradecyl sulphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium tetradecyl sulfate,CCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,CCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,"InChI=1/C14H30O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-3-1-5-2-4-7/h2-14H2,1H3,(H,15,16,17);5-7H,1-4H2",C14H30O4S.C4H11NO2,,,,,,QZUFUZCFYQJWBG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.473,265-439-4,65104-67-8,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecanol","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecan-1-ol",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C18H5F33O/c19-3(20,1-2-52)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51/h52H,1-2H2",C18H5F33O,,,,,,UYSGWTCETIRUHO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.477,265-444-1,65104-96-3,Di(octadecadienyl) hydrogen phosphate,"dioctadeca-1,3-dien-1-yl hydrogen phosphate",OP(=O)(OC=CC=CCCCCCCCCCCCCCC)OC=CC=CCCCCCCCCCCCCCC,OP(=O)(OC=CC=CCCCCCCCCCCCCCC)OC=CC=CCCCCCCCCCCCCCC,"InChI=1/C36H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-36H,3-28H2,1-2H3,(H,37,38)",C36H67O4P,,,,,,IUWXMOOQMNUZCD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.478,265-445-7,65105-00-2,"1-methylpropane-1,3-diyl bis[(3-isocyanatobenzyl)carbamate]","butane-1,3-diyl bis[(3-isocyanatobenzyl)carbamate]",CC(CCOC(=O)NCc1cccc(c1)N=C=O)OC(=O)NCc2cccc(c2)N=C=O,CC(CCOC(=O)NCc1cccc(c1)N=C=O)OC(=O)NCc2cccc(c2)N=C=O,"InChI=1/C22H22N4O6/c1-16(32-22(30)24-13-18-5-3-7-20(11-18)26-15-28)8-9-31-21(29)23-12-17-4-2-6-19(10-17)25-14-27/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,29)(H,24,30)",C22H22N4O6,,,,,,IOYGDHLFVLOGBL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.488,265-456-7,65114-03-6,"a,2,2,3-tetramethylcyclopent-3-ene-1-butyraldehyde","2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butanal",CC(CCC1CC=C(C)C1(C)C)C=O,CC(CCC1CC=C(C)C1(C)C)C=O,"InChI=1/C13H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h6,9-10,12H,5,7-8H2,1-4H3",C13H22O,,,,,,QLWDKMHMOKIPHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.493,265-461-4,65121-80-4,"Decyl dihydrogen phosphate, compound with morpholine (1:2)",decyl dihydrogen phosphate - morpholine (1:2),OP(O)(=O)OCCCCCCCCCC.C1COCCN1.C1CNCCO1,OP(O)(=O)OCCCCCCCCCC.C1COCCN1.C1CNCCO1,"InChI=1/C10H23O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;2*1-3-6-4-2-5-1/h2-10H2,1H3,(H2,11,12,13);2*5H,1-4H2",C10H23O4P.2C4H9NO,,,,,,HSLJTFCSNFZPEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.494,265-463-5,65121-81-5,"Decyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","decyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C10H23O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;6-3-1-5-2-4-7/h2-10H2,1H3,(H2,11,12,13);5-7H,1-4H2",C10H23O4P.C4H11NO2,,,,,,DTKWHADVSLSNQD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.155,261-790-2,59502-05-5,a-bromo(2H7)toluene,(chloromethyl)benzene,ClCc1ccccc1,ClCc1ccccc1,"InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",C7ClD7,,,,,,KCXMKQUNVWSEMD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.221,255-262-0,41202-32-8,1-(2-chlorophenyl)piperazinium chloride,1-(2-chlorophenyl)piperazin-1-ium chloride,[Cl-].Clc1ccccc1[NH+]2CCNCC2,[Cl-].Clc1ccccc1[NH+]2CCNCC2,"InChI=1/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H",C10H13ClN2.ClH,,,,,,GUTWDZXWTKMXPI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.222,255-263-6,41203-81-0,"(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide","(5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphinan-5-yl)methyl methyl methylphosphonate",CCC1(COP(=O)(C)OC)COP(=O)(C)OC1,CCC1(COP(=O)(C)OC)COP(=O)(C)OC1,"InChI=1/C9H20O6P2/c1-5-9(6-13-16(3,10)12-2)7-14-17(4,11)15-8-9/h5-8H2,1-4H3",C9H20O6P2,,,,,,CFIFBLCPLCPITL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.224,255-265-7,41208-12-2,Ethyl isopropylidene(thiocarbazimidate),ethyl 2-isopropylidenehydrazinecarbimidothioate,CCSC(=N)NN=C(C)C,CCSC(=N)NN=C(C)C,"InChI=1/C6H13N3S/c1-4-10-6(7)9-8-5(2)3/h4H2,1-3H3,(H2,7,9)",C6H13N3S,,,,,,ZOBFJDJPRVLPIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.225,255-266-2,41212-96-8,"1-(2-chloroethyl)pyrrolidine-2,5-dione","1-(2-chloroethyl)pyrrolidine-2,5-dione",ClCCN1C(=O)CCC1=O,ClCCN1C(=O)CCC1=O,InChI=1/C6H8ClNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2,C6H8ClNO2,,,,,,QJZNIHHRDQKAFU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.233,255-275-1,41240-18-0,2-[[2-[(2-aminoethyl)amino]ethyl]amino]propiononitrile,2-({2-[(2-aminoethyl)amino]ethyl}amino)propanenitrile,CC(NCCNCCN)C#N,CC(NCCNCCN)C#N,"InChI=1/C7H16N4/c1-7(6-9)11-5-4-10-3-2-8/h7,10-11H,2-5,8H2,1H3",C7H16N4,,,,,,OSVDRMKFBHBNHF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.234,255-276-7,41240-77-1,N-[4-(hexyloxy)phenyl]acetamide,N-[4-(hexyloxy)phenyl]acetamide,CCCCCCOc1ccc(NC(=O)C)cc1,CCCCCCOc1ccc(NC(=O)C)cc1,"InChI=1/C14H21NO2/c1-3-4-5-6-11-17-14-9-7-13(8-10-14)15-12(2)16/h7-10H,3-6,11H2,1-2H3,(H,15,16)",C14H21NO2,,,,,,XADSXVABHSQCOV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.238,255-280-9,41253-21-8,"1H-1,2,4-triazole, sodium salt","sodium 1,2,4-triazol-1-ide",[Na+].c1nc[n-]n1,[Na+].c1nc[n-]n1,InChI=1/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1,C2H3N3.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13320,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.238,NVMNEWNGLGACBB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.245,255-288-2,41272-40-6,"[4-[a-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate","N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CC(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CC(=O)[O-],"InChI=1/C23H25N2.C2H4O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-2(3)4/h5-17H,1-4H3;1H3,(H,3,4)/q+1;/p-1",C23H25N2.C2H3O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11496,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.245,VPJMOSKUCQUJHU-UHFFFAOYSA-M,,,,,,,,,,,
100.053.765,259-161-2,54424-26-9,"2,3-dihydro-1,3,4-trimethyl-2-oxopyrimidine sulphate","1,3,4-trimethyl-3,4-dihydropyrimidin-2(1H)-one sulfate",CC1C=CN(C)C(=O)N1C.OS(=O)(=O)O,CC1C=CN(C)C(=O)N1C.OS(=O)(=O)O,"InChI=1/C7H12N2O.H2O4S/c1-6-4-5-8(2)7(10)9(6)3;1-5(2,3)4/h4-6H,1-3H3;(H2,1,2,3,4)",C7H11N2O.HO4S,,,,,,XUKXJWQEMLTVFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.767,259-163-3,54437-56-8,"Adipic acid, cobalt salt",cobalt(2+) adipate,[Co+2].[O-]C(=O)CCCCC(=O)[O-],[Co+2].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.Co/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2",C6H10O4.xCo,,,,,,ATFHQVJTPHERNM-UHFFFAOYSA-L,,,,,,,,,,,
100.053.769,259-165-4,54444-01-8,"5-[5-(1,3-diethyl-1,2,3,4-tetrahydro-6-hydroxy-2,4-dioxo-5-pyrimidinyl)penta-2,4-dienylidene]-1,3-diethylbarbituric acid","5-[5-(1,3-diethyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-1,3-diethylpyrimidine-2,4,6(1H,3H,5H)-trione",O=C2N(CC)C(=O)C(=C\\C=CC=C\\C1=C(/O)N(CC)C(=O)N(CC)C1=O)/C(=O)N2CC,O=C2N(CC)C(=O)C(=C\C=CC=C\C1=C(/O)N(CC)C(=O)N(CC)C1=O)/C(=O)N2CC,"InChI=1/C21H26N4O6/c1-5-22-16(26)14(17(27)23(6-2)20(22)30)12-10-9-11-13-15-18(28)24(7-3)21(31)25(8-4)19(15)29/h9-13,26H,5-8H2,1-4H3",C21H26N4O6,,,,,,KOFZFWFIYXNDHR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.771,259-168-0,54450-67-8,"Sodium [2S-[2a,5a,6ß(S*)]]-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1(C)SC2C(N3C(=O)C(NC3(C)C)c4ccccc4)C(=O)N2C1C(=O)O[Na],CC1(C)SC2C(N3C(=O)C(NC3(C)C)c4ccccc4)C(=O)N2C1C(=O)O[Na],"InChI=1/C19H23N3O4S.Na/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1",C19H23N3O4S.Na,,,,,,JGCRRHYEUGXAOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.053.774,259-171-7,54454-95-4,"1-(9,10-dihydro-7-octyl-2-phenanthryl)hexanone","1-(7-octyl-9,10-dihydrophenanthren-2-yl)hexan-2-one",CCCCCCCCc1ccc2c(CCc3cc(CC(=O)CCCC)ccc23)c1,CCCCCCCCc1ccc2c(CCc3cc(CC(=O)CCCC)ccc23)c1,"InChI=1/C28H38O/c1-3-5-7-8-9-10-11-22-13-17-27-24(19-22)15-16-25-20-23(14-18-28(25)27)21-26(29)12-6-4-2/h13-14,17-20H,3-12,15-16,21H2,1-2H3",C28H38O,,,,,,VBNLHDIGXFBUGA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.775,259-172-2,54459-71-1,1-butoxyhexane,1-butoxyhexane,CCCCCCOCCCC,CCCCCCOCCCC,"InChI=1/C10H22O/c1-3-5-7-8-10-11-9-6-4-2/h3-10H2,1-2H3",C10H22O,,,,,,QCYFOZWGXKXDJA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.446,255-510-8,41710-89-8,2-tetradecyloxyaniline,2-(tetradecyloxy)aniline,CCCCCCCCCCCCCCOc1ccccc1N,CCCCCCCCCCCCCCOc1ccccc1N,"InChI=1/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21/h13-14,16-17H,2-12,15,18,21H2,1H3",C20H35NO,,,,,,IXZBAJOADDIGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.451,255-516-0,41724-18-9,"Decahydro-1a-methyl-3,6-methanonaphth[2,3-b]oxirene","1a-methyldecahydro-3,6-methanonaphtho[2,3-b]oxirene",CC12CC3C4CCC(C4)C3CC1O2,CC12CC3C4CCC(C4)C3CC1O2,"InChI=1/C12H18O/c1-12-6-10-8-3-2-7(4-8)9(10)5-11(12)13-12/h7-11H,2-6H2,1H3",C12H18O,,,,,,KSXHZKMRNVQVIE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.508,258-878-8,53940-49-1,2-methoxy-4-(oxiranylmethyl)phenol,2-methoxy-4-(oxiran-2-ylmethyl)phenol,COc1cc(CC2CO2)ccc1O,COc1cc(CC2CO2)ccc1O,"InChI=1/C10H12O3/c1-12-10-5-7(2-3-9(10)11)4-8-6-13-8/h2-3,5,8,11H,4,6H2,1H3",C10H12O3,,,,,,WQAPNRUAKQGQLB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.515,258-886-1,53955-46-7,"(1R-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl chloride","2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbonyl chloride",CC(=CC1[C@@H](C(=O)Cl)C1(C)C)C,CC(=CC1[C@@H](C(=O)Cl)C1(C)C)C,"InChI=1/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3",C10H15ClO,,,,,,VNTCVNLNEOVBEE-MQWKRIRWSA-N,,,,,,,,,,,
100.053.523,258-895-0,53971-30-5,Potassium diethyl phosphate,potassium diethyl phosphate,[K+].CCOP(=O)([O-])OCC,[K+].CCOP(=O)([O-])OCC,"InChI=1/C4H11O4P.K/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);/q;+1/p-1",C4H11O4P.K,,,,,,CBVQYNAFBFUGTA-UHFFFAOYSA-M,,,,,,,,,,,
100.053.528,258-900-6,53987-32-9,N-(2-amino-4-nitrophenyl)acetamide,N-(2-amino-4-nitrophenyl)acetamide,CC(=O)Nc1ccc(cc1N)[N+](=O)[O-],CC(=O)Nc1ccc(cc1N)[N+](=O)[O-],"InChI=1/C8H9N3O3/c1-5(12)10-8-3-2-6(11(13)14)4-7(8)9/h2-4H,9H2,1H3,(H,10,12)",C8H9N3O3,,,,,,OSPPRBGGVRKEJL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.531,258-903-2,53988-07-1,"Didecanoic acid, diester with glycerol","2-hydroxypropane-1,3-diyl didecanoate",CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC,"InChI=1/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-19-21(24)20-28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3",C23H44O5,,,,,,BPYWNJQNVNYQSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.534,258-906-9,53991-48-3,"Androst-5-ene-3-ß,17-a-diol di(acetate)","androst-5-ene-3,17-diyl diacetate",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@H]4[C@@H]3CC=C2C1)OC(=O)C,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@H]4[C@@H]3CC=C2C1)OC(=O)C,"InChI=1/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3",C23H34O4,,,,,,QXKRUGDXPWHXHL-MHYDGWTMSA-N,,,,,,,,,,,
100.053.540,258-913-7,54004-38-5,7-methylisoquinoline,7-methylisoquinoline,Cc1ccc2ccncc2c1,Cc1ccc2ccncc2c1,"InChI=1/C10H9N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-7H,1H3",C10H9N,,,,,,GYVUMHXXXAATFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.541,258-914-2,54004-41-0,4-methyl-2-propylpentan-1-ol,4-methyl-2-propylpentan-1-ol,CCCC(CO)CC(C)C,CCCC(CO)CC(C)C,"InChI=1/C9H20O/c1-4-5-9(7-10)6-8(2)3/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,IGSWOIOCVJEQRH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.553,258-927-3,54023-75-5,"6,7-dihydroxynaphthalene-2-sulphonamide","6,7-dihydroxynaphthalene-2-sulfonamide",NS(=O)(=O)c1ccc2cc(O)c(O)cc2c1,NS(=O)(=O)c1ccc2cc(O)c(O)cc2c1,"InChI=1/C10H9NO4S/c11-16(14,15)8-2-1-6-4-9(12)10(13)5-7(6)3-8/h1-5,12-13H,(H2,11,14,15)",C10H9NO4S,,,,,,HBEICTUAWWEORS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.667,256-853-6,50928-80-8,4-(ethyl(2-methoxyethyl)ammonio)-o-toluidinium di(toluene-4-sulphonate),"N~4~-ethyl-N~4~-(2-methoxyethyl)-2-methylbenzene-1,4-diaminium bis(4-methylbenzenesulfonate)",CC[NH+](CCOC)c1ccc([NH3+])c(C)c1.Cc2ccc(cc2)S(=O)(=O)[O-].Cc3ccc(cc3)S(=O)(=O)[O-],CC[NH+](CCOC)c1ccc([NH3+])c(C)c1.Cc2ccc(cc2)S(=O)(=O)[O-].Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C12H20N2O.2C7H8O3S/c1-4-14(7-8-15-3)11-5-6-12(13)10(2)9-11;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9H,4,7-8,13H2,1-3H3;2*2-5H,1H3,(H,8,9,10)",C12H20N2O.2C7H8O3S,,,,,,ILKZXYARHQNMEF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.670,256-856-2,50930-79-5,"Phthalic acid, compound with aniline (1:1)",phthalic acid - aniline (1:1),Nc1ccccc1.OC(=O)c2ccccc2C(=O)O,Nc1ccccc1.OC(=O)c2ccccc2C(=O)O,"InChI=1/C8H6O4.C6H7N/c9-7(10)5-3-1-2-4-6(5)8(11)12;7-6-4-2-1-3-5-6/h1-4H,(H,9,10)(H,11,12);1-5H,7H2",C8H6O4.C6H7N,,,,,,QGPZXNSBZMHHSR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.677,256-864-6,50939-39-4,"[5-chloro-2-[(2,2,2-trifluoroethyl)amino]phenyl] 2-fluorophenyl ketone","{5-chloro-2-[(2,2,2-trifluoroethyl)amino]phenyl}(2-fluorophenyl)methanone",Fc1ccccc1C(=O)c2cc(Cl)ccc2NCC(F)(F)F,Fc1ccccc1C(=O)c2cc(Cl)ccc2NCC(F)(F)F,"InChI=1/C15H10ClF4NO/c16-9-5-6-13(21-8-15(18,19)20)11(7-9)14(22)10-3-1-2-4-12(10)17/h1-7,21H,8H2",C15H10ClF4NO,,,,,,VGNVFAXJHFXDAT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.681,256-868-8,50972-56-0,Dodecylpentadecyl acrylate,1-dodecylpentadecyl acrylate,CCCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C=C,CCCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C=C,"InChI=1/C30H58O2/c1-4-7-9-11-13-15-17-18-20-22-24-26-28-29(32-30(31)6-3)27-25-23-21-19-16-14-12-10-8-5-2/h6,29H,3-5,7-28H2,1-2H3",C30H58O2,,,,,,UTMCSDLQVRFUET-UHFFFAOYSA-N,,,,,,,,,,,
100.048.899,253-808-2,38162-95-7,"N,N'-ethane-1,2-diylbis(hydroxyoctadecan-1-amide)","N,N'-ethane-1,2-diylbis(2-hydroxyoctadecanamide)",CCCCCCCCCCCCCCCCC(O)C(=O)NCCNC(=O)C(O)CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCC(O)C(=O)NCCNC(=O)C(O)CCCCCCCCCCCCCCCC,"InChI=1/C38H76N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(41)37(43)39-33-34-40-38(44)36(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)",C38H76N2O4,,,,,,IVPYHNVOJNIAMO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.909,253-819-2,38194-50-2,Sulindac,{5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid,CS(=O)c1ccc(cc1)C=C3c2ccc(F)cc2C(\\CC(O)=O)=C3\\C,CS(=O)c1ccc(cc1)C=C3c2ccc(F)cc2C(\CC(O)=O)=C3\C,"InChI=1/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)",C20H17FO3S,,,,,,MLKXDPUZXIRXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.910,253-820-8,38196-44-0,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate)","9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipentanoate",CCCCC(=O)OCC(=O)[C@@]1(OC(=O)CCCC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,CCCCC(=O)OCC(=O)[C@@]1(OC(=O)CCCC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C32H45FO7/c1-6-8-10-27(37)39-19-26(36)32(40-28(38)11-9-7-2)20(3)16-24-23-13-12-21-17-22(34)14-15-29(21,4)31(23,33)25(35)18-30(24,32)5/h14-15,17,20,23-25,35H,6-13,16,18-19H2,1-5H3",C32H45FO7,,,,,,VPPBYLVCVQXCGD-LKKVRGJNSA-N,,,,,,,,,,,
100.048.919,253-830-2,38215-36-0,3-(benzothiazol-2-yl)-7-(diethylamino)-2-benzopyrone,"3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one",CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4s3,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4s3,"InChI=1/C20H18N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-12H,3-4H2,1-2H3",C20H18N2O2S,,,,,,VBVAVBCYMYWNOU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.922,253-833-9,38219-91-9,3-oxo-3-phenyl-N-[4-[N-(3-phenylpropyl)-N-(p-tolyl)sulphamoyl]phenyl]propionamide,N-{4-[(4-methylphenyl)(3-phenylpropyl)sulfamoyl]phenyl}-3-oxo-3-phenylpropanamide,Cc1ccc(cc1)N(CCCc2ccccc2)S(=O)(=O)c3ccc(NC(=O)CC(=O)c4ccccc4)cc3,Cc1ccc(cc1)N(CCCc2ccccc2)S(=O)(=O)c3ccc(NC(=O)CC(=O)c4ccccc4)cc3,"InChI=1/C31H30N2O4S/c1-24-14-18-28(19-15-24)33(22-8-11-25-9-4-2-5-10-25)38(36,37)29-20-16-27(17-21-29)32-31(35)23-30(34)26-12-6-3-7-13-26/h2-7,9-10,12-21H,8,11,22-23H2,1H3,(H,32,35)",C31H30N2O4S,,,,,,OVSHMCBRVQWMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.929,253-841-2,38229-29-7,"2,4,6-trinitro-N-(2-nitrophenyl)aniline","2,4,6-trinitro-N-(2-nitrophenyl)aniline",[O-][N+](=O)c1cc(c(Nc2ccccc2[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(Nc2ccccc2[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H7N5O8/c18-14(19)7-5-10(16(22)23)12(11(6-7)17(24)25)13-8-3-1-2-4-9(8)15(20)21/h1-6,13H",C12H7N5O8,,,,,,ZFEJLICGFDNABR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.933,253-845-4,38237-00-2,"3,7-dimethylocta-2,6-diene-1-thiol","3,7-dimethylocta-2,6-diene-1-thiol",C\\C(C)=C\\CCC(C)=CCS,C\C(C)=C\CCC(C)=CCS,"InChI=1/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3",C10H18S,,,,,,FACAUSJJVBMWLV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.937,253-850-1,38251-26-2,Potassium naphthalene-1-sulphonate,potassium naphthalene-1-sulfonate,[K+].[O-]S(=O)(=O)c1cccc2ccccc12,[K+].[O-]S(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.K/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1",C10H8O3S.K,,,,,,IZHYRVRPSNAXGV-UHFFFAOYSA-M,,,,,,,,,,,
100.048.939,253-852-2,38258-26-3,p-toluenediazonium sulphate (2:1),bis(4-methylbenzenediazonium) sulfate,Cc1ccc(cc1)[N+]#N.Cc2ccc(cc2)[N+]#N.[O-]S(=O)(=O)[O-],Cc1ccc(cc1)[N+]#N.Cc2ccc(cc2)[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/2C7H7N2.H2O4S/c2*1-6-2-4-7(9-8)5-3-6;1-5(2,3)4/h2*2-5H,1H3;(H2,1,2,3,4)/q2*+1;/p-2",C7H7N2.1/2O4S,,,,,,YSKQIPZRICRDLA-UHFFFAOYSA-L,,,,,,,,,,,
100.052.267,257-512-4,51920-03-7,2-(ethylanilino)ethyl benzoate,2-[(2-ethylphenyl)amino]ethyl benzoate,CCc1ccccc1NCCOC(=O)c2ccccc2,CCc1ccccc1NCCOC(=O)c2ccccc2,"InChI=1/C17H19NO2/c1-2-14-8-6-7-11-16(14)18-12-13-20-17(19)15-9-4-3-5-10-15/h3-11,18H,2,12-13H2,1H3",C17H19NO2,,,,,,IVRLMEASGTUWKE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.280,257-527-6,51937-00-9,"(Z,E)-tetradeca-9,12-dienol","tetradeca-9,12-dien-1-ol",CC=CCC=CCCCCCCCCO,CC=CCC=CCCCCCCCCO,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,15H,4,7-14H2,1H3",C14H26O,,,,,,IHRPKOQVBCPMQH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.284,257-531-8,51940-64-8,"Ethyl 2,4-dichloropyrimidine-5-carboxylate","ethyl 2,4-dichloropyrimidine-5-carboxylate",CCOC(=O)c1cnc(Cl)nc1Cl,CCOC(=O)c1cnc(Cl)nc1Cl,"InChI=1/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3",C7H6Cl2N2O2,,,,,,SRJBDGLSCPDXBL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.285,257-532-3,51941-08-3,4-[3-(trifluoromethyl)phenyl]piperazine-1-ethyl 2-aminobenzoate,2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-aminobenzoate,Nc1ccccc1C(=O)OCCN2CCN(CC2)c3cccc(c3)C(F)(F)F,Nc1ccccc1C(=O)OCCN2CCN(CC2)c3cccc(c3)C(F)(F)F,"InChI=1/C20H22F3N3O2/c21-20(22,23)15-4-3-5-16(14-15)26-10-8-25(9-11-26)12-13-28-19(27)17-6-1-2-7-18(17)24/h1-7,14H,8-13,24H2",C20H22F3N3O2,,,,,,LJCWCJMUWXDVKW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.286,257-533-9,51943-58-9,3-ethyl-2-[3-(3-ethyl-4-methyl-3H-thiazol-2-ylidene)prop-1-enyl]benzoxazolium iodide,"3-ethyl-2-[3-(3-ethyl-4-methyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]2c(C=CC=C1S\\C=C(\\C)N1CC)oc3ccccc23,[I-].CC[n+]2c(C=CC=C1S\C=C(\C)N1CC)oc3ccccc23,"InChI=1/C18H21N2OS.HI/c1-4-19-14(3)13-22-18(19)12-8-11-17-20(5-2)15-9-6-7-10-16(15)21-17;/h6-13H,4-5H2,1-3H3;1H/q+1;/p-1",C18H21N2OS.I,,,,,,FBXXAHZNQDZBIF-UHFFFAOYSA-M,,,,,,,,,,,
100.056.158,261-793-9,59512-17-3,2-(4-isobutylphenyl)propionamide,2-(4-isobutylphenyl)propanamide,CC(C)Cc1ccc(cc1)C(C)C(=O)N,CC(C)Cc1ccc(cc1)C(C)C(=O)N,"InChI=1/C13H19NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15)",C13H19NO,,,,,,REUQKCDCQVNKLW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.165,261-801-0,59548-39-9,"4-methoxybenzene-1,2-diamine dihydrochloride","4-methoxybenzene-1,2-diamine dihydrochloride",Cl.Cl.COc1ccc(N)c(N)c1,Cl.Cl.COc1ccc(N)c(N)c1,"InChI=1/C7H10N2O.2ClH/c1-10-5-2-3-6(8)7(9)4-5;;/h2-4H,8-9H2,1H3;2*1H",C7H10N2O.2ClH,,,,,,SXCHMHOBHJOXGC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.179,261-816-2,59584-22-4,Methyl 4-[[(4-chlorophenyl)imino]methyl]benzoate,methyl 4-{[(4-chlorophenyl)imino]methyl}benzoate,Clc2ccc(N=Cc1ccc(cc1)C(=O)OC)cc2,Clc2ccc(N=Cc1ccc(cc1)C(=O)OC)cc2,"InChI=1/C15H12ClNO2/c1-19-15(18)12-4-2-11(3-5-12)10-17-14-8-6-13(16)7-9-14/h2-10H,1H3",C15H12ClNO2,,,,,,BYDHFMUKSVKDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.181,261-818-3,59587-38-1,"Potassium 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonate","potassium 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate",[K+].[O-]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].[O-]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H5F13O3S.K/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h1-2H2,(H,22,23,24);/q;+1/p-1",C8H5F13O3S.K,,,,,,DFQKESLULXNZLL-UHFFFAOYSA-M,,,,,,,,,,,
100.056.184,261-822-5,59599-55-2,2-[2-[2-(tetradecyloxy)ethoxy]ethoxy]ethyl myristate,2-{2-[2-(tetradecyloxy)ethoxy]ethoxy}ethyl myristate,CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCC,"InChI=1/C34H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-28-29-37-30-31-38-32-33-39-34(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3",C34H68O5,,,,,,NNSTUHMKYNCMHO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.577,263-354-7,61960-57-4,"3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoyl chloride","3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoyl chloride",ClC(=O)c1cccc(c1)N2C(=O)C=CC2=O,ClC(=O)c1cccc(c1)N2C(=O)C=CC2=O,InChI=1/C11H6ClNO3/c12-11(16)7-2-1-3-8(6-7)13-9(14)4-5-10(13)15/h1-6H,C11H6ClNO3,,,,,,CIHNCGJBKQNXOG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.579,263-356-8,61961-11-3,"Isobutyl 2-(2,4-dichlorophenoxy)propionate","isobutyl 2-(2,4-dichlorophenoxy)propanoate",CC(C)COC(=O)C(C)Oc1ccc(Cl)cc1Cl,CC(C)COC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C13H16Cl2O3/c1-8(2)7-17-13(16)9(3)18-12-5-4-10(14)6-11(12)15/h4-6,8-9H,7H2,1-3H3",C13H16Cl2O3,,,,,,BQVQYSNGMWIMPH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.581,263-358-9,61969-53-7,"2,5-dihydroxy-N-(2-hydroxyethyl)benzamide","2,5-dihydroxy-N-(2-hydroxyethyl)benzamide",OCCNC(=O)c1cc(O)ccc1O,OCCNC(=O)c1cc(O)ccc1O,"InChI=1/C9H11NO4/c11-4-3-10-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14)",C9H11NO4,,,,,,YNCOLLPSNIHBGO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.590,263-368-3,62008-21-3,Zinc diethyl difumarate,4-ethoxy-4-oxobut-2-enoic acid,CCOC(=O)C=CC(=O)O,CCOC(=O)C=CC(=O)O,"InChI=1/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)",C6H8O4.1/2Zn,,,,,,XLYMOEINVGRTEX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.594,263-373-0,62012-15-1,1-(3-hydroxypropyl)pyrrolidin-2-one,1-(3-hydroxypropyl)pyrrolidin-2-one,OCCCN1CCCC1=O,OCCCN1CCCC1=O,"InChI=1/C7H13NO2/c9-6-2-5-8-4-1-3-7(8)10/h9H,1-6H2",C7H13NO2,,,,,,CVDGNRZPDAXOQO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.602,263-381-4,62037-06-3,1-chloro-4-(dibromomethyl)benzene,1-chloro-4-(dibromomethyl)benzene,Clc1ccc(cc1)C(Br)Br,Clc1ccc(cc1)C(Br)Br,"InChI=1/C7H5Br2Cl/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H",C7H5Br2Cl,,,,,,JHUHEBLQVJNTOC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.107,263-938-1,63148-86-7,"5,6-dichloro-1-ethyl-2-[2-(phenylamino)vinyl]-3-(3-sulphonatobutyl)-1H-benzimidazolium","4-[2-(2-anilinovinyl)-5,6-dichloro-3-ethyl-2,3-dihydro-1H-3,1-benzimidazol-3-ium-1-yl]butane-2-sulfonate",CC[NH+]1C(\\C=C\\Nc2ccccc2)N(CCC(C)S(=O)(=O)[O-])c3cc(Cl)c(Cl)cc13,CC[NH+]1C(\C=C\Nc2ccccc2)N(CCC(C)S(=O)(=O)[O-])c3cc(Cl)c(Cl)cc13,"InChI=1/C21H25Cl2N3O3S/c1-3-25-19-13-17(22)18(23)14-20(19)26(12-10-15(2)30(27,28)29)21(25)9-11-24-16-7-5-4-6-8-16/h4-9,11,13-15,21,24H,3,10,12H2,1-2H3,(H,27,28,29)",C21H23Cl2N3O3S,,,,,,CBBATTVCHCOSJZ-PKNBQFBNSA-N,,,,,,,,,,,
100.058.117,263-949-1,63149-00-8,"3-ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium","2-(4-anilinobuta-1,3-dien-1-yl)-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate",[O-]S(=O)(=O)c1cc3c(cc1)oc(C=CC=CNc2ccccc2)[n+]3CC,[O-]S(=O)(=O)c1cc3c(cc1)oc(C=CC=CNc2ccccc2)[n+]3CC,"InChI=1/C19H18N2O4S/c1-2-21-17-14-16(26(22,23)24)11-12-18(17)25-19(21)10-6-7-13-20-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,23,24)",C19H18N2O4S,,,,,,WMZXODXRKNUELQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.759,265-754-7,65415-41-0,Nicocortonide,"2-(11-hydroxy-10a,12a-dimethyl-8-oxo-3-prop-1-en-1-yl-5,6,8,9,10,10a,10b,11,12,12a-decahydro-1,4a-ethanophenanthro[1,2-d][1,3]dioxin-1(4bH)-yl)-2-oxoethyl isonicotinate",O=C(OCC(=O)[C@]14CC[C@@]3(OC(C=CC)O1)[C@@H]5CC\\C2=C\\C(=O)CC[C@]2(C)[C@H]5[C@@H](O)C[C@@]34C)c6ccncc6,O=C(OCC(=O)[C@]14CC[C@@]3(OC(C=CC)O1)[C@@H]5CC\C2=C\C(=O)CC[C@]2(C)[C@H]5[C@@H](O)C[C@@]34C)c6ccncc6,"InChI=1/C31H37NO7/c1-4-5-25-38-30-12-13-31(39-25,24(35)18-37-27(36)19-9-14-32-15-10-19)29(30,3)17-23(34)26-22(30)7-6-20-16-21(33)8-11-28(20,26)2/h4-5,9-10,14-16,22-23,25-26,34H,6-8,11-13,17-18H2,1-3H3",C31H37NO7,,,,,,LZHLAFIPUJPCBN-MOPCRLEQSA-N,,,,,,,,,,,
100.053.782,259-180-6,54480-58-9,"2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]benzoic acid","2-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid",OC(=O)c3ccccc3N=NC2C(\\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O,OC(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O,"InChI=1/C17H14N4O6S/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27/h2-9,15H,1H3,(H,23,24)(H,25,26,27)",C17H14N4O6S,,,,,,ISIJLUXQMTWMLC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.785,259-183-2,54484-66-1,(E)-1-(1-ethoxyethoxy)hex-2-ene,1-(1-ethoxyethoxy)hex-2-ene,CCC\\C=C\\COC(C)OCC,CCC\C=C\COC(C)OCC,"InChI=1/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h7-8,10H,4-6,9H2,1-3H3",C10H20O2,,,,,,UMAFJFXCURZISP-BQYQJAHWSA-N,,,,,,,,,,,
100.053.793,259-192-1,54510-09-7,Chlorosalicylic acid,2-hydroxybenzoyl chloride,O=C(Cl)c1ccccc1O,O=C(Cl)c1ccccc1O,"InChI=1/C7H5ClO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H",C7H5ClO3,,,,,,DVIHKVWYFXLBEM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.795,259-194-2,54513-47-2,(E)-1-butyl-4-[1-chloro-2-(4-ethoxyphenyl)vinyl]benzene,1-butyl-4-[1-chloro-2-(4-ethoxyphenyl)vinyl]benzene,CCCCc1ccc(cc1)\\C(=C/c2ccc(OCC)cc2)\\Cl,CCCCc1ccc(cc1)\C(=C/c2ccc(OCC)cc2)\Cl,"InChI=1/C20H23ClO/c1-3-5-6-16-7-11-18(12-8-16)20(21)15-17-9-13-19(14-10-17)22-4-2/h7-15H,3-6H2,1-2H3",C20H23ClO,,,,,,YEJFQWHGEFCWJX-HMMYKYKNSA-N,,,,,,,,,,,
100.053.796,259-195-8,54515-77-4,sec-octyl acetate,1-methylheptyl acetate,CCCCCCC(C)OC(=O)C,CCCCCCC(C)OC(=O)C,"InChI=1/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3",C10H20O2,,,,,,SJFUDWKNZGXSLV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.797,259-196-3,54518-41-1,"4-[[3-[(2-chloroethyl)sulphonyl]benzoyl]amino]-5-hydroxy-6-[(2-sulphophenyl)azo]naphthalene-1,7-disulphonic acid","4-({3-[(2-chloroethyl)sulfonyl]benzoyl}amino)-5-hydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid",ClCCS(=O)(=O)c1cccc(c1)C(=O)Nc3ccc(c4cc(c(N=Nc2ccccc2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O,ClCCS(=O)(=O)c1cccc(c1)C(=O)Nc3ccc(c4cc(c(N=Nc2ccccc2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C25H20ClN3O13S4/c26-10-11-43(32,33)15-5-3-4-14(12-15)25(31)27-18-8-9-19(44(34,35)36)16-13-21(46(40,41)42)23(24(30)22(16)18)29-28-17-6-1-2-7-20(17)45(37,38)39/h1-9,12-13,30H,10-11H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42)",C25H20ClN3O13S4,,,,,,HAYRGMPWYJSHBP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.800,259-200-3,54527-89-8,"2-chloroethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","2-chloroethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCCl)C,COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCCl)C,"InChI=1/C18H19ClN2O6/c1-10-14(17(22)26-3)16(12-5-4-6-13(9-12)21(24)25)15(11(2)20-10)18(23)27-8-7-19/h4-6,9,16,20H,7-8H2,1-3H3",C18H19ClN2O6,,,,,,HFLGCPOPFWAWDG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.803,259-204-5,54533-29-8,1-(2-methyl-1-oxobut-2-enyl)piperidine,1-(2-methylbut-2-enoyl)piperidine,O=C(C(C)=CC)N1CCCCC1,O=C(C(C)=CC)N1CCCCC1,"InChI=1/C10H17NO/c1-3-9(2)10(12)11-7-5-4-6-8-11/h3H,4-8H2,1-2H3",C10H17NO,,,,,,AASUNBIGKXSKNF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.502,255-572-6,41873-65-8,Ethyl (2-hydroxyphenyl)acetate,ethyl (2-hydroxyphenyl)acetate,CCOC(=O)Cc1ccccc1O,CCOC(=O)Cc1ccccc1O,"InChI=1/C10H12O3/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3",C10H12O3,,,,,,XTRBBJJVAIWTPL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.515,255-586-2,41910-64-9,4-chloroindoline,4-chloroindoline,Clc1cccc2NCCc12,Clc1cccc2NCCc12,"InChI=1/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2",C8H8ClN,,,,,,BBHMZHDPVNXFMI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.527,255-599-3,41955-35-5,N-dodecyl-N'-[2-(dodecylamino)ethyl]ethylenediamine,"N-dodecyl-N'-[2-(dodecylamino)ethyl]ethane-1,2-diamine",CCCCCCCCCCCCNCCNCCNCCCCCCCCCCCC,CCCCCCCCCCCCNCCNCCNCCCCCCCCCCCC,"InChI=1/C28H61N3/c1-3-5-7-9-11-13-15-17-19-21-23-29-25-27-31-28-26-30-24-22-20-18-16-14-12-10-8-6-4-2/h29-31H,3-28H2,1-2H3",C28H61N3,,,,,,WBAZLMILKDTIQE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.529,255-601-2,41978-69-2,Ethyl (±)-2-bromopropionate,ethyl 2-bromopropanoate,CCOC(=O)C(C)Br,CCOC(=O)C(C)Br,"InChI=1/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3",C5H9BrO2,,,,,,ARFLASKVLJTEJD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.393,253-249-4,36878-20-3,Bis(nonylphenyl)amine,2-nonyl-N-(2-nonylphenyl)aniline,CCCCCCCCCc1ccccc1Nc2ccccc2CCCCCCCCC,CCCCCCCCCc1ccccc1Nc2ccccc2CCCCCCCCC,"InChI=1/C30H47N/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)31-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2/h17-20,23-26,31H,3-16,21-22H2,1-2H3",C30H47N,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14820,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.393,DMLQDPIAVJTTKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.398,253-255-7,36886-76-7,"3',6'-dimethoxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-dimethoxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",COc1ccc2c(Oc3cc(OC)ccc3C24OC(=O)c5ccccc45)c1,COc1ccc2c(Oc3cc(OC)ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3",C22H16O5,,,,,,GRIKUIPJBHJPPN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.682,256-869-3,50972-58-2,(hexadecyl)icosyl acrylate,"1,1,2,2,3,3-hexakis(decyl)icosyl acrylate",CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)OC(=O)C=C,CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)OC(=O)C=C,"InChI=1/C83H164O2/c1-9-17-24-31-38-45-46-47-48-49-50-51-54-61-68-75-81(73-66-59-52-39-32-25-18-10-2,74-67-60-53-40-33-26-19-11-3)82(76-69-62-55-41-34-27-20-12-4,77-70-63-56-42-35-28-21-13-5)83(85-80(84)16-8,78-71-64-57-43-36-29-22-14-6)79-72-65-58-44-37-30-23-15-7/h16H,8-15,17-79H2,1-7H3",C39H76O2,,,,,,IBUMSYNBYGTDMM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.683,256-870-9,50973-09-6,Isopentadecanoic acid,13-methyltetradecanoic acid,CC(C)CCCCCCCCCCCC(=O)O,CC(C)CCCCCCCCCCCC(=O)O,"InChI=1/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",C15H30O2,,,,,,ZOCYQVNGROEVLU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.697,256-886-6,50979-18-5,Guanidinium sulphamate,amino(imino)methanaminium sulfamate,NC(=N)[NH3+].NS(=O)(=O)[O-],NC(=N)[NH3+].NS(=O)(=O)[O-],"InChI=1/CH5N3.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)",CH5N3.H3NO3S,,,,,,LNEUSAPFBRDCPM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.699,256-888-7,50980-84-2,"Propane-1,2-diyl dibutyrate","propane-1,2-diyl dibutanoate",CCCC(=O)OCC(C)OC(=O)CCC,CCCC(=O)OCC(C)OC(=O)CCC,"InChI=1/C11H20O4/c1-4-6-10(12)14-8-9(3)15-11(13)7-5-2/h9H,4-8H2,1-3H3",C11H20O4,,,,,,RWNOITVZTGQIRG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.653,253-538-5,37517-28-5,Amikacin,4-amino-N-{5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O,"InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",C22H43N5O13,,,,,,LKCWBDHBTVXHDL-RMDFUYIESA-N,Positive,KO002413|KO002414|KO002415|KO002416|KO002417,[M+H]+,CID_Averaged,118.2:163:185:186:264:283.1:299.5:324.3:348:408.1:425.5:485.2,MassBank,,,,,
100.048.658,253-543-2,37525-46-5,2-(3-pyridyloxy)benzothiazole,"2-(pyridin-3-yloxy)-1,3-benzothiazole",O(c1cccnc1)c2nc3ccccc3s2,O(c1cccnc1)c2nc3ccccc3s2,InChI=1/C12H8N2OS/c1-2-6-11-10(5-1)14-12(16-11)15-9-4-3-7-13-8-9/h1-8H,C12H8N2OS,,,,,,TUDRTMMRQNPVLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.659,253-544-8,37526-88-8,Benzyl 2-methylcrotonate,benzyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCc1ccccc1,C\C=C(/C)\C(=O)OCc1ccccc1,"InChI=1/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3",C12H14O2,,,,,,QRGSTISKDZCDHV-XCVCLJGOSA-N,,,,,,,,,,,
100.048.661,253-546-9,37529-30-9,4-decylaniline,4-decylaniline,CCCCCCCCCCc1ccc(N)cc1,CCCCCCCCCCc1ccc(N)cc1,"InChI=1/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3",C16H27N,,,,,,WGENWPANMZLPIH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.663,253-549-5,37539-04-1,"Potassium 1,2,3-triazole-5-thiolate","potassium 1H-1,2,3-triazole-5-thiolate",[K+].[S-]c1cnn[nH]1,[K+].[S-]c1cnn[nH]1,"InChI=1/C2H3N3S.K/c6-2-1-3-5-4-2;/h1H,(H2,3,4,5,6);/q;+1/p-1",C2H3N3S.K,,,,,,KGOYUAKADZFFCO-UHFFFAOYSA-M,,,,,,,,,,,
100.048.667,253-553-7,37569-47-4,O-(methylphenyl) dihydrogen dithiophosphate,O-(2-methylphenyl) dihydrogen dithiophosphate,Cc1ccccc1OP(=O)(S)S,Cc1ccccc1OP(=O)(S)S,"InChI=1/C7H9O2PS2/c1-6-4-2-3-5-7(6)9-10(8,11)12/h2-5H,1H3,(H2,8,11,12)",C7H9O2PS2,,,,,,IXYVYHQWXGGMAU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.682,253-569-4,37617-03-1,Undec-2-enol,undec-2-en-1-ol,CCCCCCCCC=CCO,CCCCCCCCC=CCO,"InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3",C11H22O,,,,,,SKBIQKQBLQHOSU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.684,253-572-0,37625-49-3,Diphenylammonium sodium sulphite,N-phenylanilinium sodium sulfite,[Na+].[O-]S(=O)[O-].[NH2+](c1ccccc1)c2ccccc2,[Na+].[O-]S(=O)[O-].[NH2+](c1ccccc1)c2ccccc2,"InChI=1/C12H11N.Na.H2O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;1-4(2)3/h1-10,13H;;(H2,1,2,3)/q;+1;/p-1",C12H11N.H2O3S.Na,,,,,,IPVOGZPLQLHPIG-UHFFFAOYSA-M,,,,,,,,,,,
100.048.686,253-574-1,37631-10-0,o-(1-propylpentyl)phenol,2-(1-propylpentyl)phenol,CCCCC(CCC)c1ccccc1O,CCCCC(CCC)c1ccccc1O,"InChI=1/C14H22O/c1-3-5-9-12(8-4-2)13-10-6-7-11-14(13)15/h6-7,10-12,15H,3-5,8-9H2,1-2H3",C14H22O,,,,,,RBSPWYFBQCZMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.690,253-578-3,37656-66-9,Ethyl 4-[(4-chlorophenyl)amino]piperidine-1-carboxylate,ethyl 4-[(4-chlorophenyl)amino]piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)Nc2ccc(Cl)cc2,CCOC(=O)N1CCC(CC1)Nc2ccc(Cl)cc2,"InChI=1/C14H19ClN2O2/c1-2-19-14(18)17-9-7-13(8-10-17)16-12-5-3-11(15)4-6-12/h3-6,13,16H,2,7-10H2,1H3",C14H19ClN2O2,,,,,,MOVXNHXUSMSOGD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.691,253-579-9,37660-22-3,6-amino-2-(ethylthio)-1H-pyrimidin-4-one,6-amino-2-(ethylsulfanyl)pyrimidin-4(1H)-one,CCSC1=NC(=O)C=C(N)N1,CCSC1=NC(=O)C=C(N)N1,"InChI=1/C6H9N3OS/c1-2-11-6-8-4(7)3-5(10)9-6/h3H,2H2,1H3,(H3,7,8,9,10)",C6H9N3OS,,,,,,OYIIQANZEPCOQV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.459,255-524-4,41732-91-6,1-oxaspiro[4.6]undecan-2-one,1-oxaspiro[4.6]undecan-2-one,O=C1CCC2(CCCCCC2)O1,O=C1CCC2(CCCCCC2)O1,InChI=1/C10H16O2/c11-9-5-8-10(12-9)6-3-1-2-4-7-10/h1-8H2,C10H16O2,,,,,,IRLOXNABJNDEKF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.288,257-536-5,51943-99-8,Diethyl 2-[3-oxo-3-(2-oxocyclopentyl)propyl]-p-phenylene dicarbonate,-,CCCC.[O-]C(=O)Oc1ccc(OC(=O)[O-])c(CCC(=O)C2CCCC2=O)c1,CCCC.[O-]C(=O)Oc1ccc(OC(=O)[O-])c(CCC(=O)C2CCCC2=O)c1,"InChI=1/C16H16O8.C4H10/c17-12-3-1-2-11(12)13(18)6-4-9-8-10(23-15(19)20)5-7-14(9)24-16(21)22;1-3-4-2/h5,7-8,11H,1-4,6H2,(H,19,20)(H,21,22);3-4H2,1-2H3/p-2",C20H24O8,,,,,,ABWZZHJXGUGDMT-UHFFFAOYSA-L,,,,,,,,,,,
100.052.289,257-537-0,51946-06-6,"N,N'-[iminobis(ethyleneiminoethylene)]distearamide","N-(13-oxo-3,6,9,12-tetraazatriacont-1-yl)octadecanamide (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C44H91N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51)",C44H91N5O2,,,,,,WHUNDDWVZDKWHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.291,257-539-1,51947-45-6,Dimethyl [(4-hydroxyphenyl)methylene]malonate,dimethyl (4-hydroxybenzylidene)malonate,COC(=O)C(=Cc1ccc(O)cc1)C(=O)OC,COC(=O)C(=Cc1ccc(O)cc1)C(=O)OC,"InChI=1/C12H12O5/c1-16-11(14)10(12(15)17-2)7-8-3-5-9(13)6-4-8/h3-7,13H,1-2H3",C12H12O5,,,,,,SVNROXUQMHLOTA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.293,257-541-2,51947-52-5,Methyl 5-[(4-aminophenyl)methyl]anthranilate,methyl 2-amino-5-(4-aminobenzyl)benzoate,COC(=O)c1cc(Cc2ccc(N)cc2)ccc1N,COC(=O)c1cc(Cc2ccc(N)cc2)ccc1N,"InChI=1/C15H16N2O2/c1-19-15(18)13-9-11(4-7-14(13)17)8-10-2-5-12(16)6-3-10/h2-7,9H,8,16-17H2,1H3",C15H16N2O2,,,,,,QEJNFWVQDMOATI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.294,257-542-8,51949-57-6,2-[(hydroxyphosphinyl)oxy]ethyl methacrylate,2-{[hydroxy(oxido)phosphino]oxy}ethyl methacrylate,CC(=C)C(=O)OCCOP(=O)O,CC(=C)C(=O)OCCOP(=O)O,"InChI=1/C6H11O5P/c1-5(2)6(7)10-3-4-11-12(8)9/h12H,1,3-4H2,2H3,(H,8,9)",C6H11O5P,,,,,,BWDFGOBOSAFUSU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.158,255-193-6,41051-88-1,(2H10)-p-xylene,p-xylene,Cc1ccc(C)cc1,Cc1ccc(C)cc1,"InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",C8D10,,,,,,URLKBWYHVLBVBO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.160,255-195-7,41054-41-5,3-oxo-3-[p-(phenylthio)phenyl]dithiopropionic acid,3-oxo-3-[4-(phenylsulfanyl)phenyl]propane(dithioic) acid,SC(=S)CC(=O)c1ccc(Sc2ccccc2)cc1,SC(=S)CC(=O)c1ccc(Sc2ccccc2)cc1,"InChI=1/C15H12OS3/c16-14(10-15(17)18)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18)",C15H12OS3,,,,,,GAVCSUDWLMBAJW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.162,255-197-8,41062-71-9,"1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)vinyl]-3H-indolium sulphate (2:1)","bis{1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)vinyl]-3H-indolium} sulfate",Cc1[nH]c2ccccc2c1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C.Cc5[nH]c6ccccc6c5\\C=C\\C7=[N+](C)c8ccccc8C7(C)C.[O-]S(=O)(=O)[O-],Cc1[nH]c2ccccc2c1\C=C\C3=[N+](C)c4ccccc4C3(C)C.Cc5[nH]c6ccccc6c5\C=C\C7=[N+](C)c8ccccc8C7(C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C22H22N2.H2O4S/c2*1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-5(2,3)4/h2*5-14H,1-4H3;(H2,1,2,3,4)",C22H23N2.1/2O4S,,,,,,OAMVDYSGCJMUQA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.171,255-207-0,41078-70-0,"3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one","3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=C(CCCl)C(=O)N2C=CC=CC2=N1,CC1=C(CCCl)C(=O)N2C=CC=CC2=N1,"InChI=1/C11H11ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-4,7H,5-6H2,1H3",C11H11ClN2O,,,,,,LFTGLYCNMGGMKL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.176,255-212-8,41086-64-0,Triethylammonium hexachlorostannate(2-),"bis(N,N-diethylethanaminium) hexachlorostannate(2-)",CC[NH+](CC)CC.CC[NH+](CC)CC.Cl[Sn-2](Cl)(Cl)(Cl)(Cl)Cl,CC[NH+](CC)CC.CC[NH+](CC)CC.Cl[Sn-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/2C6H15N.6ClH.Sn/c2*1-4-7(5-2)6-3;;;;;;;/h2*4-6H2,1-3H3;6*1H;/q;;;;;;;;+4/p-4/r2C6H15N.Cl6Sn/c2*1-4-7(5-2)6-3;1-7(2,3,4,5)6/h2*4-6H2,1-3H3;/q;;-2/p+2",C6H15N.1/2Cl6Sn.H,,,,,,HMGSSKMLGXGZQG-UHFFFAOYSA-J,,,,,,,,,,,
100.050.180,255-217-5,41098-56-0,"Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)","hexasodium 2,2'-(ethene-1,2-diylbis{(3-sulfonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino})dibenzene-1,4-disulfonate",CCN(CC)c1nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5cc(ccc5S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(n4)N(CC)CC)cc3S(=O)(=O)O[Na])c(c2)S(=O)(=O)O[Na])nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])n1,CCN(CC)c1nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5cc(ccc5S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(n4)N(CC)CC)cc3S(=O)(=O)O[Na])c(c2)S(=O)(=O)O[Na])nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])n1,"InChI=1/C40H44N12O18S6.6Na/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(71(53,54)55)15-17-31(29)73(59,60)61)41-25-13-11-23(33(19-25)75(65,66)67)9-10-24-12-14-26(20-34(24)76(68,69)70)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(72(56,57)58)16-18-32(30)74(62,63)64;;;;;;/h9-22H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/rC40H38N12Na6O18S6/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(77(59,60)71-53)15-17-31(29)79(63,64)73-55)41-25-13-11-23(33(19-25)81(67,68)75-57)9-10-24-12-14-26(20-34(24)82(69,70)76-58)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(78(61,62)72-54)16-18-32(30)80(65,66)74-56/h9-22H,5-8H2,1-4H3,(H2,41,43,45,47,49)(H2,42,44,46,48,50)",C40H44N12O18S6.6Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13852,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.180,KMPSLWWDIJFERN-UHFFFAOYSA-H,,,,,,,,,,,
100.059.760,265-755-2,65416-14-0,2-methyl-4-oxo-4H-pyran-3-yl isobutyrate,2-methyl-4-oxo-4H-pyran-3-yl 2-methylpropanoate,CC(C)C(=O)OC1=C(C)OC=CC1=O,CC(C)C(=O)OC1=C(C)OC=CC1=O,"InChI=1/C10H12O4/c1-6(2)10(12)14-9-7(3)13-5-4-8(9)11/h4-6H,1-3H3",C10H12O4,,,,,,VSBHYRPUJHEOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.762,265-757-3,65416-16-2,3-methylpent-3-enyl isobutyrate,3-methylpent-3-en-1-yl 2-methylpropanoate,CC=C(C)CCOC(=O)C(C)C,CC=C(C)CCOC(=O)C(C)C,"InChI=1/C10H18O2/c1-5-9(4)6-7-12-10(11)8(2)3/h5,8H,6-7H2,1-4H3",C10H18O2,,,,,,VPIXOJWXVMGOMY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.765,265-761-5,65416-21-9,1-bicyclo[2.2.1]hept-5-en-2-ylethan-1-one oxime,1-bicyclo[2.2.1]hept-5-en-2-ylethanone oxime,CC(=NO)C2CC1/C=C\\C2C1,CC(=NO)C2CC1/C=C\C2C1,"InChI=1/C9H13NO/c1-6(10-11)9-5-7-2-3-8(9)4-7/h2-3,7-9,11H,4-5H2,1H3",C9H13NO,,,,,,BKMAIDRLVDHVHD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.767,265-763-6,65416-23-1,3-methylpent-3-enyl phenylacetate,3-methylpent-3-en-1-yl phenylacetate,O=C(Cc1ccccc1)OCCC(C)=CC,O=C(Cc1ccccc1)OCCC(C)=CC,"InChI=1/C14H18O2/c1-3-12(2)9-10-16-14(15)11-13-7-5-4-6-8-13/h3-8H,9-11H2,1-2H3",C14H18O2,,,,,,ZSWBBBXEPCSQNE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.769,265-765-7,65416-26-4,"2-(3-ethoxybuten-1-yl)-1,3,3-trimethylcyclohexene","2-(3-ethoxybut-1-en-1-yl)-1,3,3-trimethylcyclohexene",CC1(C)CCCC(\\C)=C1\\C=CC(C)OCC,CC1(C)CCCC(\C)=C1\C=CC(C)OCC,"InChI=1/C15H26O/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5/h9-10,13H,6-8,11H2,1-5H3",C15H26O,,,,,,BLSRPKXPUSFJDP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.770,265-766-2,65416-28-6,3-hexenyl 3-methylisocrotonate,hex-3-en-1-yl 3-methylbut-2-enoate,CCC=CCCOC(=O)\\C=C(/C)C,CCC=CCCOC(=O)\C=C(/C)C,"InChI=1/C11H18O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,9H,4,7-8H2,1-3H3",C11H18O2,,,,,,NIWIFUKCMGYZHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.625,266-707-3,67511-31-3,"4,6,6-trimethylhept-3-en-2-one","4,6,6-trimethylhept-3-en-2-one",CC(CC(C)(C)C)=CC(C)=O,CC(CC(C)(C)C)=CC(C)=O,"InChI=1/C10H18O/c1-8(6-9(2)11)7-10(3,4)5/h6H,7H2,1-5H3",C10H18O,,,,,,YQNTTZALAZYHKN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.629,266-712-0,67525-36-4,"1,4-bis[4-(trifluoromethyl)phenoxy]benzene","1,1'-[1,4-phenylenebis(oxy)]bis[4-(trifluoromethyl)benzene]",FC(F)(F)c1ccc(Oc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)cc1,FC(F)(F)c1ccc(Oc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)cc1,"InChI=1/C20H12F6O2/c21-19(22,23)13-1-5-15(6-2-13)27-17-9-11-18(12-10-17)28-16-7-3-14(4-8-16)20(24,25)26/h1-12H",C20H12F6O2,,,,,,DBEALIZXNCCVBG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.633,266-716-2,67554-09-0,"2-butoxy-1,3,2-dioxaphospholane 2-oxide","2-butoxy-1,3,2-dioxaphospholane 2-oxide",CCCCOP1(=O)OCCO1,CCCCOP1(=O)OCCO1,"InChI=1/C6H13O4P/c1-2-3-4-8-11(7)9-5-6-10-11/h2-6H2,1H3",C6H13O4P,,,,,,PBCCGCZHDKGPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.639,266-723-0,67584-31-0,Potassium [(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate,potassium [(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate,[K+].COC(=O)C=C(C)NC(C([O-])=O)c1ccccc1,[K+].COC(=O)C=C(C)NC(C([O-])=O)c1ccccc1,"InChI=1/C13H15NO4.K/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-8,12,14H,1-2H3,(H,16,17);/q;+1/p-1",C13H15NO4.K,,,,,,KBWPWSNLLTZFMR-UHFFFAOYSA-M,,,,,,,,,,,
100.060.640,266-724-6,67584-42-3,Potassium decafluoro(pentafluoroethyl)cyclohexanesulphonate,"potassium 1,2,2,3,3,4,4,5,5,6-decafluoro-6-(pentafluoroethyl)cyclohexanesulfonate",[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)F,[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF15O3S.K/c9-1(3(12,13)8(21,22)23)2(10,11)4(14,15)5(16,17)6(18,19)7(1,20)27(24,25)26;/h(H,24,25,26);/q;+1/p-1",C8HF15O3S.K,,,,,,PGWMATBEPILFLU-UHFFFAOYSA-M,,,,,,,,,,,
100.060.651,266-736-1,67584-58-1,Trimethyl-3-[[(pentadecafluoroheptyl)sulphonyl]amino]propylammonium iodide,"N,N,N-trimethyl-3-{[(pentadecafluoroheptyl)sulfonyl]amino}propan-1-aminium iodide",[I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H16F15N2O2S.HI/c1-30(2,3)6-4-5-29-33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26;/h29H,4-6H2,1-3H3;1H/q+1;/p-1",C13H16F15N2O2S.I,,,,,,WVKDNXONEAFSNR-UHFFFAOYSA-M,,,,,,,,,,,
100.060.654,266-739-8,67584-61-6,2-[methyl[(tridecafluorohexyl)sulphonyl]amino]ethyl methacrylate,2-{methyl[(tridecafluorohexyl)sulfonyl]amino}ethyl methacrylate,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C(=C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H12F13NO4S/c1-6(2)7(28)31-5-4-27(3)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h1,4-5H2,2-3H3",C13H12F13NO4S,,,,,,MVZJFKDUUZOQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.655,266-740-3,67584-62-7,Potassium N-ethyl-N-[(pentadecafluoroheptyl)sulphonyl]glycinate,potassium {ethyl[(pentadecafluoroheptyl)sulfonyl]amino}acetate,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H8F15NO4S.K/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;/h2-3H2,1H3,(H,28,29);/q;+1/p-1",C11H8F15NO4S.K,,,,,,PVNCAZFPZMEICM-UHFFFAOYSA-M,,,,,,,,,,,
100.048.405,253-263-0,36897-88-8,"1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulphonyl]-4,5-dimethylphenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc(c1C)S(=O)(=O)NCCO,Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc(c1C)S(=O)(=O)NCCO,"InChI=1/C24H23N3O8S2/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35)",C24H23N3O8S2,,,,,,SEXIHYPFEOARHF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.406,253-264-6,36897-89-9,Amidinouronium dihydrogen phosphate,amino-N-[amino(hydroxy)methylene]iminomethanaminium dihydrogen phosphate,NC(=[NH+]C(=N)N)O.[O-]P(=O)([O-])[O-],NC(=[NH+]C(=N)N)O.[O-]P(=O)([O-])[O-],"InChI=1/C2H6N4O.H3O4P/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H3,1,2,3,4)/p-2",C2H6N4O.H3O4P,,,,,,ZHURYQINAXWNAH-UHFFFAOYSA-L,,,,,,,,,,,
100.048.408,253-266-7,36904-62-8,Sodium 3-[ethyl[3-methyl-4-[[4-(phenylazo)phenyl]azo]phenyl]amino]propanesulphonate,sodium 3-[ethyl(3-methyl-4-{[4-(phenyldiazenyl)phenyl]diazenyl}phenyl)amino]propane-1-sulfonate,[Na+].[O-]S(=O)(=O)CCCN(CC)c3ccc(N=Nc2ccc(N=Nc1ccccc1)cc2)c(C)c3,[Na+].[O-]S(=O)(=O)CCCN(CC)c3ccc(N=Nc2ccc(N=Nc1ccccc1)cc2)c(C)c3,"InChI=1/C24H27N5O3S.Na/c1-3-29(16-7-17-33(30,31)32)23-14-15-24(19(2)18-23)28-27-22-12-10-21(11-13-22)26-25-20-8-5-4-6-9-20;/h4-6,8-15,18H,3,7,16-17H2,1-2H3,(H,30,31,32);/q;+1/p-1",C24H27N5O3S.Na,,,,,,VKFNRTIHBARAEG-UHFFFAOYSA-M,,,,,,,,,,,
100.048.411,253-269-3,36913-04-9,"(S)-N,N,a-trimethylphenethylamine hydrochloride","N,N-dimethyl-1-phenylpropan-2-amine hydrochloride",Cl.C[C@@H](Cc1ccccc1)N(C)C,Cl.C[C@@H](Cc1ccccc1)N(C)C,"InChI=1/C11H17N.ClH/c1-10(12(2)3)9-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H",C11H17N.ClH,,,,,,UTWYKDPIWNRKCN-PPHPATTJSA-N,,,,,,,,,,,
100.048.413,253-271-4,36915-28-3,"(L-histidinato-N,O)dihydroxyaluminium",aluminum dihydroxide 2-amino-3-(1H-imidazol-4-yl)propanoate,NC(Cc1c[nH]cn1)C(=O)O[Al](O)O,NC(Cc1c[nH]cn1)C(=O)O[Al](O)O,"InChI=1/C6H9N3O2.Al.2H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);;2*1H2/q;+3;;/p-3/rC6H10AlN3O4/c8-5(6(11)14-7(12)13)1-4-2-9-3-10-4/h2-3,5,12-13H,1,8H2,(H,9,10)",C6H10AlN3O4,,,,,,VISOTTZYKQFAOR-UHFFFAOYSA-K,,,,,,,,,,,
100.048.426,253-286-6,36947-68-9,2-isopropyl-1H-imidazole,2-isopropyl-1H-imidazole,CC(C)c1ncc[nH]1,CC(C)c1ncc[nH]1,"InChI=1/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)",C6H10N2,,,,,,FUOZJYASZOSONT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.427,253-287-1,36950-96-6,Cicloprofen,2-(9H-fluoren-2-yl)propanoic acid,CC(C(=O)O)c1ccc2c(Cc3ccccc23)c1,CC(C(=O)O)c1ccc2c(Cc3ccccc23)c1,"InChI=1/C16H14O2/c1-10(16(17)18)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8,10H,9H2,1H3,(H,17,18)",C16H14O2,,,,,,LRXFKKPEBXIPMW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.430,253-290-8,36963-02-7,"3,6-bis[2-(methylthio)ethyl]piperazine-2,5-dione","3,6-bis[2-(methylsulfanyl)ethyl]piperazine-2,5-dione",CSCCC1NC(=O)C(CCSC)NC1=O,CSCCC1NC(=O)C(CCSC)NC1=O,"InChI=1/C10H18N2O2S2/c1-15-5-3-7-9(13)12-8(4-6-16-2)10(14)11-7/h7-8H,3-6H2,1-2H3,(H,11,14)(H,12,13)",C10H18N2O2S2,,,,,,VSOISORJHNBTCV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.431,253-291-3,36966-04-8,Ethyl(1-naphthyl)ammonium bromide,N-ethylnaphthalen-1-aminium bromide,[Br-].CC[NH2+]c1cccc2ccccc12,[Br-].CC[NH2+]c1cccc2ccccc12,"InChI=1/C12H13N.BrH/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12;/h3-9,13H,2H2,1H3;1H",C12H13N.BrH,,,,,,SBGSNWFFTCHTQG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.434,253-295-5,36977-92-1,(±)-isomenthone,2-isopropyl-5-methylcyclohexanone,CC(C)C1CCC(C)CC1=O,CC(C)C1CCC(C)CC1=O,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,NFLGAXVYCFJBMK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.750,256-944-0,51066-54-7,Sodium thiobenzoate,sodium benzenecarbothioate,[Na+].[S-]C(=O)c1ccccc1,[Na+].[S-]C(=O)c1ccccc1,"InChI=1/C7H6OS.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",C7H6OS.Na,,,,,,JTHUJOZLDHAGIH-UHFFFAOYSA-M,,,,,,,,,,,
100.051.751,256-945-6,51066-74-1,Dimethylammonium iodide,N-methylmethanaminium iodide,[I-].C[NH2+]C,[I-].C[NH2+]C,"InChI=1/C2H7N.HI/c1-3-2;/h3H,1-2H3;1H",C2H7N.HI,,,,,,JMXLWMIFDJCGBV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.758,256-952-4,51074-95-4,4-(aminocarbonyl)phenyl acetate,4-carbamoylphenyl acetate,CC(=O)Oc1ccc(cc1)C(=O)N,CC(=O)Oc1ccc(cc1)C(=O)N,"InChI=1/C9H9NO3/c1-6(11)13-8-4-2-7(3-5-8)9(10)12/h2-5H,1H3,(H2,10,12)",C9H9NO3,,,,,,BFASOGCHMDYMBM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.767,256-962-9,51094-78-1,Tantalum pentabutanolate,-,[Ta+2].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],[Ta+2].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/5C4H9O.Ta/c5*1-2-3-4-5;/h5*2-4H2,1H3;/q5*-1;+2",C4H10O.1/5Ta,,,,,,BWDYPYMNZMBANT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.779,256-976-5,51115-68-5,"Ethyl N-[2,3-dimethyl-2-isopropyl-1-oxobutyl]glycinate","ethyl N-(2-isopropyl-2,3-dimethylbutanoyl)glycinate",CCOC(=O)CNC(=O)C(C)(C(C)C)C(C)C,CCOC(=O)CNC(=O)C(C)(C(C)C)C(C)C,"InChI=1/C13H25NO3/c1-7-17-11(15)8-14-12(16)13(6,9(2)3)10(4)5/h9-10H,7-8H2,1-6H3,(H,14,16)",C13H25NO3,,,,,,ZZAPENIYDFOWME-UHFFFAOYSA-N,,,,,,,,,,,
100.051.780,256-977-0,51115-69-6,"2-isopropyl-N,N,2,3-tetramethylbutyramide","2-isopropyl-N,N,2,3-tetramethylbutanamide",CC(C)C(C)(C(C)C)C(=O)N(C)C,CC(C)C(C)(C(C)C)C(=O)N(C)C,"InChI=1/C11H23NO/c1-8(2)11(5,9(3)4)10(13)12(6)7/h8-9H,1-7H3",C11H23NO,,,,,,ZYQWAFXFBQUZGE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.462,255-528-6,41744-40-5,Sulbenicillin,"3,3-dimethyl-7-oxo-6-{[phenyl(sulfo)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)O)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)O)C(=O)N2[C@H]1C(=O)O,"InChI=1/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)",C16H18N2O7S2,,,,,,JETQIUPBHQNHNZ-NJBDSQKTSA-N,,,,,,,,,,,
100.050.467,255-533-3,41753-54-2,(R)-(ß-D-glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile,(beta-D-glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile,OC[C@H]1O[C@@H](O[C@@H](C#N)c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@@H](C#N)c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2",C14H17NO7,,,,,,KCVXNPDAHDGXFD-GMDXDWKASA-N,,,,,,,,,,,
100.050.470,255-537-5,41760-23-0,"N,N'-bis(1-oxooctyl)-L-cystine","N,N'-dioctanoyl-L-cystine",CCCCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCCC)C(=O)O)C(=O)O,CCCCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCCC)C(=O)O)C(=O)O,"InChI=1/C22H40N2O6S2/c1-3-5-7-9-11-13-19(25)23-17(21(27)28)15-31-32-16-18(22(29)30)24-20(26)14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)",C22H40N2O6S2,,,,,,IEXQFIQEVJTLIE-ROUUACIJSA-N,,,,,,,,,,,
100.050.482,255-550-6,41776-15-2,Sodium dioctyldithiocarbamate,sodium dioctyldithiocarbamate,[Na+].CCCCCCCCN(CCCCCCCC)C(=S)[S-],[Na+].CCCCCCCCN(CCCCCCCC)C(=S)[S-],"InChI=1/C17H35NS2.Na/c1-3-5-7-9-11-13-15-18(17(19)20)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,19,20);/q;+1/p-1",C17H35NS2.Na,,,,,,LAHATCIHENQQOP-UHFFFAOYSA-M,,,,,,,,,,,
100.050.487,255-555-3,41791-49-5,Lonaprofen,methyl 2-[(1-chloro-2-naphthyl)oxy]propanoate,COC(=O)C(C)Oc1ccc2ccccc2c1Cl,COC(=O)C(C)Oc1ccc2ccccc2c1Cl,"InChI=1/C14H13ClO3/c1-9(14(16)17-2)18-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3",C14H13ClO3,,,,,,QMDJJUBPSFSPCR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.488,255-556-9,41804-89-1,Potassium trifluoromethanesulphinate,potassium trifluoromethanesulfinate,[K+].[O-]S(=O)C(F)(F)F,[K+].[O-]S(=O)C(F)(F)F,"InChI=1/CHF3O2S.K/c2-1(3,4)7(5)6;/h(H,5,6);/q;+1/p-1",CHF3O2S.K,,,,,,YJPOHGDCIPEPET-UHFFFAOYSA-M,,,,,,,,,,,
100.050.496,255-565-8,41847-88-5,(2-phenylethoxy)acetaldehyde,(2-phenylethoxy)acetaldehyde,O=CCOCCc1ccccc1,O=CCOCCc1ccccc1,"InChI=1/C10H12O2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,7H,6,8-9H2",C10H12O2,,,,,,IPTBGLHPPBSVHE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.498,255-567-9,41859-67-0,Bezafibrate,2-(4-{2-[(4-chlorobenzoyl)amino]ethyl}phenoxy)-2-methylpropanoic acid,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,"InChI=1/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",C19H20ClNO4,,,,,,IIBYAHWJQTYFKB-UHFFFAOYSA-N,Positive/Negative,SM854802;EA020901|EA020902|EA020903|EA020904|EA020905|EA020906|EA020907|EA020908|EA020909|EA020910|EA020911|EA020912|EA020913|EA020914,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,138.9944:121.0647:316.1098;316.1096:276.0782:344.1042|362.115:316.1094:276.0784|138.9945:316.1096:276.0785|138.9944:121.0647:161.0958|138.9944:121.0647:93.0698|138.9944:121.0647:139.0058|139.0055:138.9944:121.0646|362.1149:316.1094:276.0782|138.9944:316.1096:276.0783|138.9944:121.0647:161.0959|138.9943:121.0646:139.0055|138.9944:121.0647:139.0056|139.0056:138.9944:121.0647|316.1097:276.0783:344.1043,CASMI_2016;Eawag,SM854852;EA020951|EA020952|EA020953|EA020954|EA020955|EA020956|EA020958|EA020959|EA020960|EA020961|EA020962|EA020964;UF406951|UF406952|UF406953|UF406954,[M-H]-;[M-H]-;[M-H]-,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD15|HCD30|HCD45|HCD60|HCD75|CID35;HCD55|HCD80|CID35|CID55,274.064:154.0065:360.1008;274.0642:316.1117|360.1014:274.0641:85.0295|274.0643:85.0296:154.0065|154.0068:274.0645:85.0297|154.0066:85.0295:274.0629|154.0065:85.0293|360.1008:274.064:85.0295|274.0642:85.0295:154.0066|274.064:154.0066:85.0295|154.0066:85.0294:274.0624|154.0067:85.0295|274.0641:316.1109;274.0638:197.9608:188.1089|274.064:197.9591|274.064:316.111:197.9601|274.0639:316.111,CASMI_2016;Eawag;UFZ
100.053.555,258-929-4,54024-22-5,Desogestrel,"13-ethyl-17-ethynyl-11-methylene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3",C22H30O,,,,,,RPLCPCMSCLEKRS-BPIQYHPVSA-N,,,,,,,,,,,
100.053.557,258-932-0,54030-51-2,"2,3-dihydro-6,7-dimethyl-2-thioxo-1H-pteridin-4-one","6,7-dimethyl-2-thioxo-2,3-dihydropteridin-4(1H)-one",Cc1nc2NC(=S)NC(=O)c2nc1C,Cc1nc2NC(=S)NC(=O)c2nc1C,"InChI=1/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)",C8H8N4OS,,,,,,FMPVXDGAZOSEMT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.559,258-934-1,54043-73-1,"5-isopropenyl-ß,2-dimethylcyclopent-1-ene-1-propyl acetate",3-(5-isopropenyl-2-methylcyclopent-1-en-1-yl)-2-methylpropyl acetate,CC(COC(=O)C)CC1=C(C)CCC1C(=C)C,CC(COC(=O)C)CC1=C(C)CCC1C(=C)C,"InChI=1/C15H24O2/c1-10(2)14-7-6-12(4)15(14)8-11(3)9-17-13(5)16/h11,14H,1,6-9H2,2-5H3",C15H24O2,,,,,,RCULSNWXGDTJBO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.561,258-936-2,54048-10-1,"(17a)-13-ethyl-17-hydroxy-11-methylene-18,19-dinorpregn-4-en-20-yn-3-one","13-ethyl-17-ethynyl-17-hydroxy-11-methylene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3",C22H28O2,,,,,,GCKFUYQCUCGESZ-BPIQYHPVSA-N,,,,,,,,,,,
100.053.562,258-937-8,54052-67-4,6-amino-1-isobutyl-3-methyl-5-nitrosouracil,"6-amino-1-isobutyl-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione",CC(C)CN1C(=C(N=O)C(=O)N(C)C1=O)N,CC(C)CN1C(=C(N=O)C(=O)N(C)C1=O)N,"InChI=1/C9H14N4O3/c1-5(2)4-13-7(10)6(11-16)8(14)12(3)9(13)15/h5H,4,10H2,1-3H3",C9H14N4O3,,,,,,PXWGPZUKJUEITG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.564,258-939-9,54056-51-8,Butyl 3-methyl-2-butenoate,butyl 3-methylbut-2-enoate,CCCCOC(=O)C=C(C)C,CCCCOC(=O)C=C(C)C,"InChI=1/C9H16O2/c1-4-5-6-11-9(10)7-8(2)3/h7H,4-6H2,1-3H3",C9H16O2,,,,,,IJZWZSGPEJOCHI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.181,255-218-0,41098-60-6,"Tetrasodium 5,5'-[carbonylbis[imino-4,1-phenylenecarbonylimino(2-sulphonato-4,1-phenylene)azo]]bis[6-amino-4-hydroxynaphthalene-2-sulphonate]",tetrasodium 6-amino-5-[(4-{[4-({[4-({4-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]-3-sulfonatophenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c8c(c1)ccc(N)c8N=Nc2ccc(cc2S([O-])(=O)=O)NC(=O)c3ccc(cc3)NC(=O)Nc4ccc(cc4)C(=O)Nc7ccc(N=Nc5c(N)ccc6cc(cc(O)c56)S([O-])(=O)=O)c(c7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c8c(c1)ccc(N)c8N=Nc2ccc(cc2S([O-])(=O)=O)NC(=O)c3ccc(cc3)NC(=O)Nc4ccc(cc4)C(=O)Nc7ccc(N=Nc5c(N)ccc6cc(cc(O)c56)S([O-])(=O)=O)c(c7)S([O-])(=O)=O,"InChI=1/C47H36N10O17S4.4Na/c48-33-13-5-25-17-31(75(63,64)65)21-37(58)41(25)43(33)56-54-35-15-11-29(19-39(35)77(69,70)71)50-45(60)23-1-7-27(8-2-23)52-47(62)53-28-9-3-24(4-10-28)46(61)51-30-12-16-36(40(20-30)78(72,73)74)55-57-44-34(49)14-6-26-18-32(76(66,67)68)22-38(59)42(26)44;;;;/h1-22,58-59H,48-49H2,(H,50,60)(H,51,61)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;/q;4*+1/p-4",C47H36N10O17S4.4Na,,,,,,QMAMFYDHMNXTEW-UHFFFAOYSA-J,,,,,,,,,,,
100.050.191,255-229-0,41122-71-8,"4'-heptyl[1,1'-biphenyl]-4-carbonitrile",4'-heptylbiphenyl-4-carbonitrile,CCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3",C20H23N,,,,,,ZGOWXOZNUNZPAV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.194,255-232-7,41123-69-7,"2,2'-[methylenebis(sulphonyl)]bisethanol","2,2'-(methylenedisulfonyl)diethanol",OCCS(=O)(=O)CS(=O)(=O)CCO,OCCS(=O)(=O)CS(=O)(=O)CCO,"InChI=1/C5H12O6S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h6-7H,1-5H2",C5H12O6S2,,,,,,FBKUSAIWUANQNH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.965,257-181-6,51410-30-1,"Sodium 1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylate","sodium 1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylate",[Na+].Oc1cc(nc2C(=O)C=C3Oc4ccccc4N=C3c12)C(=O)[O-],[Na+].Oc1cc(nc2C(=O)C=C3Oc4ccccc4N=C3c12)C(=O)[O-],"InChI=1/C16H8N2O5.Na/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12;/h1-6H,(H,18,19)(H,21,22);/q;+1/p-1",C16H8N2O5.Na,,,,,,HDQXPMXHXZNPKE-UHFFFAOYSA-M,,,,,,,,,,,
100.051.968,257-184-2,51411-49-5,1-amino-2-methylbutan-2-ol,1-amino-2-methylbutan-2-ol,CCC(C)(O)CN,CCC(C)(O)CN,"InChI=1/C5H13NO/c1-3-5(2,7)4-6/h7H,3-4,6H2,1-2H3",C5H13NO,,,,,,LHYVEOGDJNQNEW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.974,257-191-0,51418-90-7,Sodium 3-[[4-[[4-(2-hydroxybutoxy)-3-methylphenyl]azo]-3-methoxyphenyl]azo]benzenesulphonate,sodium 3-[(4-{[4-(2-hydroxybutoxy)-3-methylphenyl]diazenyl}-3-methoxyphenyl)diazenyl]benzenesulfonate,[Na+].COc2cc(ccc2N=Nc1cc(C)c(OCC(O)CC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,[Na+].COc2cc(ccc2N=Nc1cc(C)c(OCC(O)CC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,"InChI=1/C24H26N4O6S.Na/c1-4-20(29)15-34-23-11-9-18(12-16(23)2)27-28-22-10-8-19(14-24(22)33-3)26-25-17-6-5-7-21(13-17)35(30,31)32;/h5-14,20,29H,4,15H2,1-3H3,(H,30,31,32);/q;+1/p-1",C24H26N4O6S.Na,,,,,,BYTKSDCHPLKAPL-UHFFFAOYSA-M,,,,,,,,,,,
100.051.976,257-193-1,51419-02-4,3-hydroxy-2-(3-hydroxy-2-quinolyl)-5-[(phenylsulphonyl)oxy]-1H-inden-1-one,3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1-oxo-1H-inden-5-yl benzenesulfonate,OC1=C(C(=O)c2ccc(OS(=O)(=O)c3ccccc3)cc12)c4nc5ccccc5cc4O,OC1=C(C(=O)c2ccc(OS(=O)(=O)c3ccccc3)cc12)c4nc5ccccc5cc4O,"InChI=1/C24H15NO6S/c26-20-12-14-6-4-5-9-19(14)25-22(20)21-23(27)17-11-10-15(13-18(17)24(21)28)31-32(29,30)16-7-2-1-3-8-16/h1-13,26,28H",C24H15NO6S,,,,,,KLZOMFUVNQCMBU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.980,257-197-3,51424-66-9,(3ß)-3-acetoxyandrost-5-ene-17-carboxylic acid,3-acetoxyandrost-5-ene-17-carboxylic acid,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4C(=O)O)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4C(=O)O)[C@@H]3CC=C2C1,"InChI=1/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)",C22H32O4,,,,,,WVHKCBDRQIXZLC-CMGWBOTJSA-N,,,,,,,,,,,
100.051.986,257-203-4,51437-89-9,2-(p-octylphenoxy)ethanol,2-(4-octylphenoxy)ethanol,CCCCCCCCc1ccc(OCCO)cc1,CCCCCCCCc1ccc(OCCO)cc1,"InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3",C16H26O2,,,,,,BHNQPLPANNDEGL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.992,257-210-2,51443-72-2,1-methylnonyl acrylate,1-methylnonyl acrylate,CCCCCCCCC(C)OC(=O)C=C,CCCCCCCCC(C)OC(=O)C=C,"InChI=1/C13H24O2/c1-4-6-7-8-9-10-11-12(3)15-13(14)5-2/h5,12H,2,4,6-11H2,1,3H3",C13H24O2,,,,,,GUOJYIXWHMJFDM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.995,257-213-9,51446-60-7,"[1S-(1a,2ß,5ß)]-5-(isopropyl)-2-methylcyclohexyl acetate",5-isopropyl-2-methylcyclohexyl acetate,CC(C)C1CCC(C)C(C1)OC(=O)C,CC(C)C1CCC(C)C(C1)OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,JAKFDYGDDRCJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.996,257-214-4,51447-08-6,"(E,Z)-undeca-1,3,5-triene","undeca-1,3,5-triene",C=CC=CC=CCCCCC,C=CC=CC=CCCCCC,"InChI=1/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3",C11H18,,,,,,JQQDKNVOSLONRS-UHFFFAOYSA-N,,,,,,,,,,,
100.060.664,266-750-8,67596-04-7,(3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate,"3-chloro-2-hydroxy-N-[2-(methacryloyloxy)ethyl]-N,N-dimethylpropan-1-aminium nitrate",CC(=C)C(=O)OCC[N+](C)(C)CC(O)CCl.[O-][N+](=O)[O-],CC(=C)C(=O)OCC[N+](C)(C)CC(O)CCl.[O-][N+](=O)[O-],"InChI=1/C11H21ClNO3.NO3/c1-9(2)11(15)16-6-5-13(3,4)8-10(14)7-12;2-1(3)4/h10,14H,1,5-8H2,2-4H3;/q+1;-1",C11H21ClNO3.NO3,,,,,,PBTJSEJAYNNNMM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.185,261-823-0,59601-91-1,"5,6-dinitro-1H-indazole","5,6-dinitro-2H-indazole",[O-][N+](=O)c1cc2c[nH]nc2cc1[N+](=O)[O-],[O-][N+](=O)c1cc2c[nH]nc2cc1[N+](=O)[O-],"InChI=1/C7H4N4O4/c12-10(13)6-1-4-3-8-9-5(4)2-7(6)11(14)15/h1-3H,(H,8,9)",C7H4N4O4,,,,,,TXKLPRHOQGGDQY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.188,261-826-7,59609-49-3,"Ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate","ethyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CCOC(=O)C1C(C=C(Cl)Cl)C1(C)C,CCOC(=O)C1C(C=C(Cl)Cl)C1(C)C,"InChI=1/C10H14Cl2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3",C10H14Cl2O2,,,,,,QPTWKDNRYCGMJM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.193,261-831-4,59640-46-9,6-[(methylthio)methyl]uracil,"6-[(methylsulfanyl)methyl]pyrimidine-2,4(1H,3H)-dione",CSCC1=CC(=O)NC(=O)N1,CSCC1=CC(=O)NC(=O)N1,"InChI=1/C6H8N2O2S/c1-11-3-4-2-5(9)8-6(10)7-4/h2H,3H2,1H3,(H2,7,8,9,10)",C6H8N2O2S,,,,,,UFFDUWYBBNRDNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.194,261-833-5,59641-46-2,"7-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid","7-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",Clc5nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Nc4cccc(c4)S(O)(=O)=O)n5,Clc5nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Nc4cccc(c4)S(O)(=O)=O)n5,"InChI=1/C26H20ClN7O11S3/c1-45-16-6-8-19(20(12-16)47(39,40)41)33-34-22-21(48(42,43)44)10-13-9-15(5-7-18(13)23(22)35)29-26-31-24(27)30-25(32-26)28-14-3-2-4-17(11-14)46(36,37)38/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32)",C26H20ClN7O11S3,,,,,,SYUMGWWSOBXIMP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.200,261-839-8,59647-78-8,2-phenylpropionaldehyde oxime,2-phenylpropanal oxime,CC(\\C=N\\O)c1ccccc1,CC(\C=N\O)c1ccccc1,"InChI=1/C9H11NO/c1-8(7-10-11)9-5-3-2-4-6-9/h2-8,11H,1H3",C9H11NO,,,,,,SETWHVMVMWYJQA-JXMROGBWSA-N,,,,,,,,,,,
100.056.205,261-845-0,59662-31-6,4-hexylbiphenyl,4-hexylbiphenyl,CCCCCCc1ccc(cc1)c2ccccc2,CCCCCCc1ccc(cc1)c2ccccc2,"InChI=1/C18H22/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h5,7-8,10-15H,2-4,6,9H2,1H3",C18H22,,,,,,XRPVQXPWEVJKTN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.210,261-850-8,59672-20-7,Calcium bis[2-[[[4-[[[[(hydroxymethyl)amino]carbonyl]amino]sulphonyl]phenyl]amino]carbonyl]benzoate],calcium bis{2-[(4-{[(hydroxymethyl)carbamoyl]sulfamoyl}phenyl)carbamoyl]benzoate},[Ca+2].OCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1.OCNC(=O)NS(=O)(=O)c3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3,[Ca+2].OCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1.OCNC(=O)NS(=O)(=O)c3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3,"InChI=1/2C16H15N3O7S.Ca/c2*20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23;/h2*1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24);/q;;+2/p-2",C16H15N3O7S.1/2Ca,,,,,,KRZBKGSMUYFQAX-UHFFFAOYSA-L,,,,,,,,,,,
100.056.213,261-853-4,59673-82-4,"Methyl 2-amino-4-[[(2,5-dichlorophenyl)amino]carbonyl]benzoate","methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate",COC(=O)c1ccc(cc1N)C(=O)Nc2cc(Cl)ccc2Cl,COC(=O)c1ccc(cc1N)C(=O)Nc2cc(Cl)ccc2Cl,"InChI=1/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)",C15H12Cl2N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11487,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.213,SQYUJKVKVFILNB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.215,261-856-0,59682-78-9,"2-(1-ethylpropyl)-5,5-dimethyl-1,3-dioxane","2-(1-ethylpropyl)-5,5-dimethyl-1,3-dioxane",CCC(CC)C1OCC(C)(C)CO1,CCC(CC)C1OCC(C)(C)CO1,"InChI=1/C11H22O2/c1-5-9(6-2)10-12-7-11(3,4)8-13-10/h9-10H,5-8H2,1-4H3",C11H22O2,,,,,,JMPWPSASOPWBJF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.217,261-858-1,59690-88-9,(3-aminophenyl)uronium chloride,3-amino-N-[amino(hydroxy)methylene]anilinium chloride,[Cl-].NC(=[NH+]c1cccc(N)c1)O,[Cl-].NC(=[NH+]c1cccc(N)c1)O,"InChI=1/C7H9N3O.ClH/c8-5-2-1-3-6(4-5)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);1H",C7H9N3O.ClH,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10431,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.217,VTTUKXZEJFCOIL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.219,261-860-2,59691-22-4,"(3aa,4a,6a,7a,7aa)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene-6-carboxaldehyde","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene-6-carbaldehyde",O=C[C@@H]1C[C@@H]2C[C@H]1[C@@H]3CC=C[C@H]23,O=C[C@@H]1C[C@@H]2C[C@H]1[C@@H]3CC=C[C@H]23,"InChI=1/C11H14O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1-2,6-11H,3-5H2",C11H14O,,,,,,URKXHWZQKOOULP-RCZSTQMZSA-N,,,,,,,,,,,
100.056.220,261-861-8,59691-23-5,"(3aa,4a,5a,7a,7aa)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene-5-carboxaldehyde","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene-5-carbaldehyde",O=C[C@H]1C[C@H]2C[C@@H]1[C@H]3C=CC[C@@H]23,O=C[C@H]1C[C@H]2C[C@@H]1[C@H]3C=CC[C@@H]23,"InChI=1/C11H14O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1,3,6-11H,2,4-5H2",C11H14O,,,,,,MOIHSCPKBNWGRI-SSRBZLIGSA-N,,,,,,,,,,,
100.051.782,256-979-1,51115-71-0,"N-ethyl-2-isopropyl-2,3-dimethylbutyramide","N-ethyl-2-isopropyl-2,3-dimethylbutanamide",CCNC(=O)C(C)(C(C)C)C(C)C,CCNC(=O)C(C)(C(C)C)C(C)C,"InChI=1/C11H23NO/c1-7-12-10(13)11(6,8(2)3)9(4)5/h8-9H,7H2,1-6H3,(H,12,13)",C11H23NO,,,,,,MLGQKMLAQSNRSE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.784,256-981-2,51115-73-2,"N,2,2-triethyl-3-methylbutyramide","N,2,2-triethyl-3-methylbutanamide",CCNC(=O)C(CC)(CC)C(C)C,CCNC(=O)C(CC)(CC)C(C)C,"InChI=1/C11H23NO/c1-6-11(7-2,9(4)5)10(13)12-8-3/h9H,6-8H2,1-5H3,(H,12,13)",C11H23NO,,,,,,SPHMMZWBAYSJSG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.791,256-989-6,51115-83-4,"N-isopropyl-2,3-dimethyl-2-(1-methylpropyl)valeramide","2-sec-butyl-N-isopropyl-2,3-dimethylpentanamide",CCC(C)C(C)(C(C)CC)C(=O)NC(C)C,CCC(C)C(C)(C(C)CC)C(=O)NC(C)C,"InChI=1/C14H29NO/c1-8-11(5)14(7,12(6)9-2)13(16)15-10(3)4/h10-12H,8-9H2,1-7H3,(H,15,16)",C14H29NO,,,,,,TUZDHGXGZZMZQV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.793,256-991-7,51115-88-9,"Octahydro-4,4,7-trimethyl-4a,7-ethano-4aH-naphth[1,8a-b]oxirene","4,4,7-trimethyloctahydro-4a,7-ethanonaphtho[1,8a-b]oxirene",CC12CCC3(CC1)C(C)(C)CCC4OC34C2,CC12CCC3(CC1)C(C)(C)CCC4OC34C2,"InChI=1/C15H24O/c1-12(2)5-4-11-15(16-11)10-13(3)6-8-14(12,15)9-7-13/h11H,4-10H2,1-3H3",C15H24O,,,,,,KGWCEBVNLVTVQH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.807,259-208-7,54541-19-4,2-hydroxypropyl propionate,2-hydroxypropyl propionate,CCC(=O)OCC(C)O,CCC(=O)OCC(C)O,"InChI=1/C6H12O3/c1-3-6(8)9-4-5(2)7/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,AAMWEWAFFUFOJV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.832,259-235-4,54571-68-5,"5-oxo-L-proline, compound with trimethylamine (1:1)","5-oxo-L-proline - N,N-dimethylmethanamine (1:1)",CN(C)C.OC(=O)[C@@H]1CCC(=O)N1,CN(C)C.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C3H9N/c7-4-2-1-3(6-4)5(8)9;1-4(2)3/h3H,1-2H2,(H,6,7)(H,8,9);1-3H3",C5H7NO3.C3H9N,,,,,,YVCDEYNIGFPHCO-DFWYDOINSA-N,,,,,,,,,,,
100.053.835,259-239-6,54574-23-1,"N,N-dioctyl-p-anisidine","4-methoxy-N,N-dioctylaniline",CCCCCCCCN(CCCCCCCC)c1ccc(OC)cc1,CCCCCCCCN(CCCCCCCC)c1ccc(OC)cc1,"InChI=1/C23H41NO/c1-4-6-8-10-12-14-20-24(21-15-13-11-9-7-5-2)22-16-18-23(25-3)19-17-22/h16-19H,4-15,20-21H2,1-3H3",C23H41NO,,,,,,QGIAFYUUXOEZIP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.842,259-246-4,54582-01-3,(R)-(4-hydroxyphenyl)(phenylacetamido)acetic acid,(4-hydroxyphenyl)[(phenylacetyl)amino]acetic acid,OC(=O)[C@H](NC(=O)Cc1ccccc1)c2ccc(O)cc2,OC(=O)[C@H](NC(=O)Cc1ccccc1)c2ccc(O)cc2,"InChI=1/C16H15NO4/c18-13-8-6-12(7-9-13)15(16(20)21)17-14(19)10-11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,17,19)(H,20,21)",C16H15NO4,,,,,,VYRLGZVBBQVMRK-OAHLLOKOSA-N,,,,,,,,,,,
100.053.848,259-253-2,54609-15-3,"2,4-dimethyl-1H-pyrrole-1-propan-1-ol","3-(2,4-dimethyl-1H-pyrrol-1-yl)propan-1-ol",Cc1cc(C)n(CCCO)c1,Cc1cc(C)n(CCCO)c1,"InChI=1/C9H15NO/c1-8-6-9(2)10(7-8)4-3-5-11/h6-7,11H,3-5H2,1-2H3",C9H15NO,,,,,,RKVFWTXQSSVIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.539,255-612-2,41995-29-3,6-propylpyridin-2-amine,6-propylpyridin-2-amine,CCCc1cccc(N)n1,CCCc1cccc(N)n1,"InChI=1/C8H12N2/c1-2-4-7-5-3-6-8(9)10-7/h3,5-6H,2,4H2,1H3,(H2,9,10)",C8H12N2,,,,,,JDRTXRTVJTWITJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.542,255-615-9,41999-70-6,2-[(3-aminopropyl)methylamino]ethanol,2-[(3-aminopropyl)(methyl)amino]ethanol,CN(CCO)CCCN,CN(CCO)CCCN,"InChI=1/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3",C6H16N2O,,,,,,UOQYWMZLTNEIFI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.543,255-616-4,41999-73-9,"Dipotassium 2,2'-[ethylenebis(oxy)]bisacetate","dipotassium 2,2'-[ethane-1,2-diylbis(oxy)]diacetate",[K+].[K+].[O-]C(=O)COCCOCC(=O)[O-],[K+].[K+].[O-]C(=O)COCCOCC(=O)[O-],"InChI=1/C6H10O6.2K/c7-5(8)3-11-1-2-12-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H10O6.2K,,,,,,UTIYWVMEBZJSEU-UHFFFAOYSA-L,,,,,,,,,,,
100.050.544,255-618-5,41999-84-2,"1,4-dichloro-2,5-bis(dichloromethyl)benzene","1,4-dichloro-2,5-bis(dichloromethyl)benzene",ClC(Cl)c1cc(Cl)c(cc1Cl)C(Cl)Cl,ClC(Cl)c1cc(Cl)c(cc1Cl)C(Cl)Cl,"InChI=1/C8H4Cl6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,7-8H",C8H4Cl6,,,,,,AYFZLXIPQYMONU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.546,255-620-6,42002-65-3,4-(3-chlorophenyl)piperazine-1-propiononitrile monohydrochloride,3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile hydrochloride,Cl.Clc1cccc(c1)N2CCN(CCC#N)CC2,Cl.Clc1cccc(c1)N2CCN(CCC#N)CC2,"InChI=1/C13H16ClN3.ClH/c14-12-3-1-4-13(11-12)17-9-7-16(8-10-17)6-2-5-15;/h1,3-4,11H,2,6-10H2;1H",C13H16ClN3.ClH,,,,,,HZYBADZYPWHPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.557,255-632-1,42027-23-6,"Pentane-2,3-diol","pentane-2,3-diol",CCC(O)C(C)O,CCC(O)C(C)O,"InChI=1/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3",C5H12O2,,,,,,XLMFDCKSFJWJTP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.558,255-633-7,42032-30-4,1-decyl-2-methyl-1H-imidazole,1-decyl-2-methyl-1H-imidazole,CCCCCCCCCCn1ccnc1C,CCCCCCCCCCn1ccnc1C,"InChI=1/C14H26N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13H,3-10,12H2,1-2H3",C14H26N2,,,,,,BKFRZOZNMWIFLH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.567,258-943-0,54060-15-0,"2,2'-(methylimino)bisethanol hydrochloride","2,2'-(methylimino)diethanol hydrochloride",Cl.CN(CCO)CCO,Cl.CN(CCO)CCO,"InChI=1/C5H13NO2.ClH/c1-6(2-4-7)3-5-8;/h7-8H,2-5H2,1H3;1H",C5H13NO2.ClH,,,,,,CMPOVQUVPYXEBN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.568,258-944-6,54060-30-9,3-ethynylaniline,3-ethynylaniline,Nc1cccc(c1)C#C,Nc1cccc(c1)C#C,"InChI=1/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2",C8H7N,,,,,,NNKQLUVBPJEUOR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.569,258-945-1,54060-31-0,"1,3-bis(3-nitrophenoxy)benzene","1,1'-[1,3-phenylenebis(oxy)]bis(3-nitrobenzene)",[O-][N+](=O)c1cccc(Oc2cccc(Oc3cccc(c3)[N+](=O)[O-])c2)c1,[O-][N+](=O)c1cccc(Oc2cccc(Oc3cccc(c3)[N+](=O)[O-])c2)c1,InChI=1/C18H12N2O6/c21-19(22)13-4-1-6-15(10-13)25-17-8-3-9-18(12-17)26-16-7-2-5-14(11-16)20(23)24/h1-12H,C18H12N2O6,,,,,,NYKPGQHPZCGOFF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.572,258-948-8,54060-94-5,"2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-(2-{4-[(2-cyanoethyl)(ethyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CCN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,[Cl-].CCN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C24H28N3.ClH/c1-5-27(18-8-17-25)20-14-11-19(12-15-20)13-16-23-24(2,3)21-9-6-7-10-22(21)26(23)4;/h6-7,9-16H,5,8,18H2,1-4H3;1H/q+1;/p-1",C24H28N3.Cl,,,,,,KRQJHWFEYKEYKT-UHFFFAOYSA-M,,,,,,,,,,,
100.053.576,258-953-5,54063-32-0,Clobetasone,"21-chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl,"InChI=1/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3",C22H26ClFO4,,,,,,XXIFVOHLGBURIG-OZCCCYNHSA-N,,,,,,,,,,,
100.053.578,258-955-6,54063-53-5,Propafenone,1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one,CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2,CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2,"InChI=1/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3",C21H27NO3,,,,,,JWHAUXFOSRPERK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.583,258-960-3,54075-76-2,Trimethyloxonium hexachloroantimonate(1-),trimethyloxonium hexachloroantimonate(1-),C[O+](C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,C[O+](C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/C3H9O.6ClH.Sb/c1-4(2)3;;;;;;;/h1-3H3;6*1H;/q+1;;;;;;;+5/p-6/rC3H9O.Cl6Sb/c1-4(2)3;1-7(2,3,4,5)6/h1-3H3;/q+1;-1",C3H9O.Cl6Sb,,,,,,YAHNDGAYGJSBJE-UHFFFAOYSA-H,,,,,,,,,,,
100.053.586,258-964-5,54079-53-7,[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile,(4-{[2-(4-cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylbenzylidene)malononitrile,CCN(CCOc1ccc(cc1)C2CCCCC2)c3ccc(C=C(C#N)C#N)c(C)c3,CCN(CCOc1ccc(cc1)C2CCCCC2)c3ccc(C=C(C#N)C#N)c(C)c3,"InChI=1/C27H31N3O/c1-3-30(26-12-9-25(21(2)17-26)18-22(19-28)20-29)15-16-31-27-13-10-24(11-14-27)23-7-5-4-6-8-23/h9-14,17-18,23H,3-8,15-16H2,1-2H3",C27H31N3O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17313,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.586,NQAJBKZEQYYFGK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.587,258-965-0,54079-60-6,[[4-[[2-(2-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile,(4-{[2-(2-cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylbenzylidene)malononitrile,CCN(CCOc1ccccc1C2CCCCC2)c3ccc(C=C(C#N)C#N)c(C)c3,CCN(CCOc1ccccc1C2CCCCC2)c3ccc(C=C(C#N)C#N)c(C)c3,"InChI=1/C27H31N3O/c1-3-30(25-14-13-24(21(2)17-25)18-22(19-28)20-29)15-16-31-27-12-8-7-11-26(27)23-9-5-4-6-10-23/h7-8,11-14,17-18,23H,3-6,9-10,15-16H2,1-2H3",C27H31N3O,,,,,,FGBPLWBOJNYWTG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.592,258-970-8,54090-41-4,2-nitro-p-toluenesulphonyl chloride,4-methyl-2-nitrobenzenesulfonyl chloride,Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl,Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl,"InChI=1/C7H6ClNO4S/c1-5-2-3-7(14(8,12)13)6(4-5)9(10)11/h2-4H,1H3",C7H6ClNO4S,,,,,,HEVNLMSJUFKWBS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.593,258-971-3,54091-78-0,Diethyl [(ethylthio)methyl]phosphonate,diethyl [(ethylsulfanyl)methyl]phosphonate,CCOP(=O)(CSCC)OCC,CCOP(=O)(CSCC)OCC,"InChI=1/C7H17O3PS/c1-4-9-11(8,10-5-2)7-12-6-3/h4-7H2,1-3H3",C7H17O3PS,,,,,,FTTKKJQNGIJGOC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.713,256-903-7,50996-85-5,"[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium decyl sulphate","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium decyl sulfate",CCCCCCCCCCOS(=O)(=O)[O-].[NH3+]C(CO)(CO)CO,CCCCCCCCCCOS(=O)(=O)[O-].[NH3+]C(CO)(CO)CO,"InChI=1/C10H22O4S.C4H11NO3/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;5-4(1-6,2-7)3-8/h2-10H2,1H3,(H,11,12,13);6-8H,1-3,5H2",C12H26O4S.C4H11NO3,,,,,,GQVPKTHOBIZUCH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.724,256-915-2,51022-69-6,Amcinonide,"2-(4b'-fluoro-5'-hydroxy-4a',6a'-dimethyl-2'-oxo-2',4a',4b',5',6',6a',9a',10',10a',10b',11',12'-dodecahydro-6b'H-spiro[cyclopentane-1,8'-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol]-6b'-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]24C,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]24C,"InChI=1/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3",C28H35FO7,,,,,,ILKJAFIWWBXGDU-MOGDOJJUSA-N,,,,,,,,,,,
100.051.997,257-216-5,51458-28-7,"[R(R*,R*]-2-amino-1-[p-(methylsulphonyl)phenyl]propane-1,3-diol","2-amino-1-[4-(methylsulfonyl)phenyl]propane-1,3-diol",CS(=O)(=O)c1ccc(cc1)C(O)C(N)CO,CS(=O)(=O)c1ccc(cc1)C(O)C(N)CO,"InChI=1/C10H15NO4S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3",C10H15NO4S,,,,,,CIAZEFCFQFQJLB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.751,259-146-0,54396-97-3,2-ethoxyethyl isobutyrate,2-ethoxyethyl 2-methylpropanoate,CCOCCOC(=O)C(C)C,CCOCCOC(=O)C(C)C,"InChI=1/C8H16O3/c1-4-10-5-6-11-8(9)7(2)3/h7H,4-6H2,1-3H3",C8H16O3,,,,,,ANSOCBLHUNAGRK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.754,259-149-7,54398-84-4,3-amino-5-methylcyclohex-2-en-1-one,3-amino-5-methylcyclohex-2-en-1-one,CC1CC(=CC(=O)C1)N,CC1CC(=CC(=O)C1)N,"InChI=1/C7H11NO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3,8H2,1H3",C7H11NO,,,,,,OUTDGRREBULAEH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.759,259-154-4,54406-48-3,"1-ethynyl-2-methylpent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","1-ethynyl-2-methylpent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",C/C(C)=C/C1C(C(=O)OC(C#C)C(C)=CCC)C1(C)C,C/C(C)=C/C1C(C(=O)OC(C#C)C(C)=CCC)C1(C)C,"InChI=1/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3",C18H26O2,,,,,,YUGWDVYLFSETPE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.950,253-864-8,38291-82-6,Valerohydrazide,pentanehydrazide,CCCCC(=O)NN,CCCCC(=O)NN,"InChI=1/C5H12N2O/c1-2-3-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)",C5H12N2O,,,,,,PJBQYCIDGYKEMN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.956,253-871-6,38304-27-7,Sodium hydrogen octylphosphonate,sodium hydrogen octylphosphonate,[Na+].CCCCCCCCP(=O)([O-])[O-],[Na+].CCCCCCCCP(=O)([O-])[O-],"InChI=1/C8H19O3P.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H2,9,10,11);/q;+1/p-2",C8H19O3P.Na,,,,,,XTZDEPJRUBPTCX-UHFFFAOYSA-L,,,,,,,,,,,
100.048.974,253-891-5,38344-72-8,"Octanoic acid, compound with morpholine (1:1)",octanoic acid - morpholine (1:1),CCCCCCCC(=O)O.C1COCCN1,CCCCCCCC(=O)O.C1COCCN1,"InChI=1/C8H16O2.C4H9NO/c1-2-3-4-5-6-7-8(9)10;1-3-6-4-2-5-1/h2-7H2,1H3,(H,9,10);5H,1-4H2",C8H16O2.C4H9NO,,,,,,LAQVFXAFEYMPTI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.976,253-893-6,38345-66-3,"[S-(R*,S*)]-a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl alcohol","4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol",CC(CN(C)C)C(O)(Cc1ccccc1)c2ccccc2,CC(CN(C)C)C(O)(Cc1ccccc1)c2ccccc2,"InChI=1/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3",C19H25NO,,,,,,INTCGJHAECYOBW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.981,253-898-3,38353-81-0,"2-ethyl-2-[[[[[4-methyl-3-[(phenoxycarbonyl)amino]phenyl]amino]carbonyl]oxy]methyl]propane-1,3-diyl bis[[4-methyl-3-[(phenoxycarbonyl)amino]phenyl]carbamate]","phenyl (5-{[(2,2-bis{[({4-methyl-3-[(phenoxycarbonyl)amino]phenyl}carbamoyl)oxy]methyl}butoxy)carbonyl]amino}-2-methylphenyl)carbamate (non-preferred name)",CCC(COC(=O)Nc1ccc(C)c(NC(=O)Oc2ccccc2)c1)(COC(=O)Nc3ccc(C)c(NC(=O)Oc4ccccc4)c3)COC(=O)Nc5ccc(C)c(NC(=O)Oc6ccccc6)c5,CCC(COC(=O)Nc1ccc(C)c(NC(=O)Oc2ccccc2)c1)(COC(=O)Nc3ccc(C)c(NC(=O)Oc4ccccc4)c3)COC(=O)Nc5ccc(C)c(NC(=O)Oc6ccccc6)c5,"InChI=1/C51H50N6O12/c1-5-51(30-64-45(58)52-36-24-21-33(2)42(27-36)55-48(61)67-39-15-9-6-10-16-39,31-65-46(59)53-37-25-22-34(3)43(28-37)56-49(62)68-40-17-11-7-12-18-40)32-66-47(60)54-38-26-23-35(4)44(29-38)57-50(63)69-41-19-13-8-14-20-41/h6-29H,5,30-32H2,1-4H3,(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,56,62)(H,57,63)",C51H50N6O12,,,,,,VXLGXABNMKFVOG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.227,259-669-4,55488-87-4,"Oxalic acid, ammonium iron salt",-,[NH4+].[Fe+2].[O-]C(=O)C(=O)[O-],[NH4+].[Fe+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Fe.H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H3/q;+2;/p-1",C2H2O4.xFe.xH3N,,,,,,GVUQTDPJUXBMEV-UHFFFAOYSA-M,,,,,,,,,,,
100.054.228,259-671-5,55489-79-7,"Potassium N,N-dimethyl-ß-alaninate",potassium 3-(dimethylamino)propanoate,[K+].CN(C)CCC(=O)[O-],[K+].CN(C)CCC(=O)[O-],"InChI=1/C5H11NO2.K/c1-6(2)4-3-5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1",C5H11NO2.K,,,,,,GXMWYUIHPJXRLR-UHFFFAOYSA-M,,,,,,,,,,,
100.054.233,259-676-2,55502-53-9,(pentafluorophenoxy)acetyl chloride,(pentafluorophenoxy)acetyl chloride,Fc1c(F)c(F)c(OCC(=O)Cl)c(F)c1F,Fc1c(F)c(F)c(OCC(=O)Cl)c(F)c1F,InChI=1/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2,C8H2ClF5O2,,,,,,WQLJMPAQIWVNGS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.237,259-680-4,55506-37-1,2-amino-5-chlorothiazole hydrochloride,"5-chloro-1,3-thiazol-2-amine hydrochloride",Cl.Nc1ncc(Cl)s1,Cl.Nc1ncc(Cl)s1,"InChI=1/C3H3ClN2S.ClH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H",C3H3ClN2S.ClH,,,,,,GTMGFQYVLSQTKP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.241,259-685-1,55511-98-3,3-(5-tert-butylthiadiazol-2-yl)-4-hydroxy-1-methylimidazolidine-2-one,"3-(5-tert-butyl-1,2,3-thiadiazol-2(3H)-yl)-4-hydroxy-1-methylimidazolidin-2-one",CN1CC(O)N(N2NC=C(S2)C(C)(C)C)C1=O,CN1CC(O)N(N2NC=C(S2)C(C)(C)C)C1=O,"InChI=1/C10H18N4O2S/c1-10(2,3)7-5-11-14(17-7)13-8(15)6-12(4)9(13)16/h5,8,11,15H,6H2,1-4H3",C10H16N4O2S,,,,,,BSFBQXBPJTYKAB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.242,259-686-7,55512-33-9,O-(6-chloro-3-phenylpyridazin-4-yl) S-octyl thiocarbonate,O-(6-chloro-3-phenylpyridazin-4-yl) S-octyl thiocarbonate,CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c2ccccc2,CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3",C19H23ClN2O2S,,,,,,JTZCTMAVMHRNTR-UHFFFAOYSA-N,Positive,EQ320801|EQ320802|EQ320803|EQ320804|EQ320805|EQ320806|EQ320807|EQ320808|EQ320809,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,207.032:351.1294:319.1574|207.032:71.0855:57.0699|207.0321:57.0699:71.0855|207.0321:104.0495:57.0699|104.0495:207.0322:68.0131|68.0131:95.0492:104.0495|68.0131:95.0492:105.0448|68.0131:51.023:95.0492|51.023:68.0131:50.0152,Eawag,,,,,
100.056.221,261-862-3,59692-88-5,"Dihydroxy(5-oxo-L-prolinato-N1,O2)aluminium",aluminum dihydroxide 5-oxopyrrolidine-2-carboxylate,O[Al](O)OC(=O)C1CCC(=O)N1,O[Al](O)OC(=O)C1CCC(=O)N1,"InChI=1/C5H7NO3.Al.2H2O/c7-4-2-1-3(6-4)5(8)9;;;/h3H,1-2H2,(H,6,7)(H,8,9);;2*1H2/q;+3;;/p-3/rC5H8AlNO5/c8-4-2-1-3(7-4)5(9)12-6(10)11/h3,10-11H,1-2H2,(H,7,8)",C5H8AlNO5,,,,,,BVVSRIYAWFFHGA-UHFFFAOYSA-K,,,,,,,,,,,
100.056.222,261-863-9,59697-07-3,"(2S-cis)-3-(1,1-dimethylethyl)-2-phenyloxazolidine-5-methanol","(3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl)methanol",CC(C)(C)N1C[C@@H](CO)O[C@H]1c2ccccc2,CC(C)(C)N1C[C@@H](CO)O[C@H]1c2ccccc2,"InChI=1/C14H21NO2/c1-14(2,3)15-9-12(10-16)17-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3",C14H21NO2,,,,,,JERBWURCWWHQBK-STQMWFEESA-N,,,,,,,,,,,
100.056.223,261-864-4,59698-26-9,Benzyl 3-aminopyrazinecarboxylate,benzyl 3-aminopyrazine-2-carboxylate,Nc1nccnc1C(=O)OCc2ccccc2,Nc1nccnc1C(=O)OCc2ccccc2,"InChI=1/C12H11N3O2/c13-11-10(14-6-7-15-11)12(16)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,15)",C12H11N3O2,,,,,,VXRGDNBJXWLGIY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.224,261-866-5,59702-31-7,"1-ethylpiperazine-2,3-dione","1-ethylpiperazine-2,3-dione",CCN1CCNC(=O)C1=O,CCN1CCNC(=O)C1=O,"InChI=1/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)",C6H10N2O2,,,,,,ZBEKOEYCWKIMGU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.225,261-867-0,59703-00-3,"4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride","4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride",CCN1CCN(C(=O)Cl)C(=O)C1=O,CCN1CCN(C(=O)Cl)C(=O)C1=O,"InChI=1/C7H9ClN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3",C7H9ClN2O3,,,,,,SXVBQOZRZIUHKU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.227,261-869-1,59707-20-9,"Octyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)","octyl dihydrogen phosphate - 2,2'-iminodiethanol (1:2)",CCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO,CCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO,"InChI=1/C8H19O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-12-13(9,10)11;2*6-3-1-5-2-4-7/h2-8H2,1H3,(H2,9,10,11);2*5-7H,1-4H2",C8H19O4P.2C4H11NO2,,,,,,YTHOBNZVQYPNPY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.606,263-386-1,62037-83-6,1-methyl-3-piperidyl methacrylate,1-methylpiperidin-3-yl methacrylate,CN1CCCC(C1)OC(=O)C(=C)C,CN1CCCC(C1)OC(=O)C(=C)C,"InChI=1/C10H17NO2/c1-8(2)10(12)13-9-5-4-6-11(3)7-9/h9H,1,4-7H2,2-3H3",C10H17NO2,,,,,,BGUHYYCDVDXPEO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.609,263-389-8,62042-45-9,"1,1',1''-[propylidynetris(oxy)]tributane","1,1',1''-[propane-1,1,1-triyltris(oxy)]tributane",CCCCOC(CC)(OCCCC)OCCCC,CCCCOC(CC)(OCCCC)OCCCC,"InChI=1/C15H32O3/c1-5-9-12-16-15(8-4,17-13-10-6-2)18-14-11-7-3/h5-14H2,1-4H3",C15H32O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17427,https://echa.europa.eu/substance-information/-/substanceinfo/100.057.609,BQIKKNNMJKMBEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.611,263-391-9,62049-65-4,1-(1-chloroethyl)-4-isobutylbenzene,1-(1-chloroethyl)-4-isobutylbenzene,CC(C)Cc1ccc(cc1)C(C)Cl,CC(C)Cc1ccc(cc1)C(C)Cl,"InChI=1/C12H17Cl/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9-10H,8H2,1-3H3",C12H17Cl,,,,,,SPBVCQUMYJRBMD-UHFFFAOYSA-N,,,,,,,,,,,
100.057.615,263-396-6,62072-82-6,Methyl N-[5-(acetylamino)-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-[(5-acetamido-2-methoxyphenyl)imino]dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)C)ccc1OC,COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)C)ccc1OC,"InChI=1/C17H24N2O6/c1-12(20)18-13-5-6-15(23-2)14(11-13)19(9-7-16(21)24-3)10-8-17(22)25-4/h5-6,11H,7-10H2,1-4H3,(H,18,20)",C17H24N2O6,,,,,,XUBDTGBUGMAAHD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.777,265-774-6,65427-54-5,"DL-2,4-diaminobutyric acid dihydrochloride","2,4-diaminobutanoic acid dihydrochloride",Cl.Cl.NCCC(N)C(=O)O,Cl.Cl.NCCC(N)C(=O)O,"InChI=1/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H",C4H10N2O2.2ClH,,,,,,CKAAWCHIBBNLOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.793,265-791-9,65487-67-4,a-(trifluoromethyl)anthracene-9-methanol,"1-(9-anthryl)-2,2,2-trifluoroethanol",OC(c1c2ccccc2cc3ccccc13)C(F)(F)F,OC(c1c2ccccc2cc3ccccc13)C(F)(F)F,"InChI=1/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H",C16H11F3O,,,,,,ICZHJFWIOPYQCA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.798,265-797-1,65505-17-1,2-methyl-3-(methyldithio)furan,2-methyl-3-(methyldisulfanyl)furan,CSSc1ccoc1C,CSSc1ccoc1C,"InChI=1/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3",C6H8OS2,,,,,,SRUTWBWLFKSTIS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.799,265-798-7,65505-24-0,Isobutyl 2-(methylamino)benzoate,isobutyl 2-(methylamino)benzoate,CNc1ccccc1C(=O)OCC(C)C,CNc1ccccc1C(=O)OCC(C)C,"InChI=1/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3",C12H17NO2,,,,,,WKYZGTHZBSYUFI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.803,265-802-7,65511-03-7,"(-)-2,3-dihydro-5,7-dihydroxy-2-methyl-4-quinolone","5,7-dihydroxy-2-methyl-2,3-dihydroquinolin-4(1H)-one",CC1CC(=O)c2c(O)cc(O)cc2N1,CC1CC(=O)c2c(O)cc(O)cc2N1,"InChI=1/C10H11NO3/c1-5-2-8(13)10-7(11-5)3-6(12)4-9(10)14/h3-5,11-12,14H,2H2,1H3",C10H11NO3,,,,,,BNEPFPNDLPNULY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.804,265-803-2,65514-97-8,a-[[[(2-aminophenyl)methyl]methylamino]methyl]benzyl alcohol,2-[(2-aminobenzyl)(methyl)amino]-1-phenylethanol,CN(CC(O)c1ccccc1)Cc2ccccc2N,CN(CC(O)c1ccccc1)Cc2ccccc2N,"InChI=1/C16H20N2O/c1-18(11-14-9-5-6-10-15(14)17)12-16(19)13-7-3-2-4-8-13/h2-10,16,19H,11-12,17H2,1H3",C16H20N2O,,,,,,DVGIYWMJXYCEFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.562,255-637-9,42040-79-9,Zirconium(4+) oleate,zirconium(4+) tetraoctadec-9-enoate,[Zr+4].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Zr+4].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/4C18H34O2.Zr/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;;+4/p-4",C18H34O2.1/4Zr,,,,,,JHQQFNSJNJARJJ-UJUIXPSJSA-J,,,,,,,,,,,
100.050.565,255-641-0,42060-64-0,"Octafluorotetrahydrothiophene 1,1-dioxide","2,2,3,3,4,4,5,5-octafluorotetrahydrothiophene 1,1-dioxide",FC1(F)C(F)(F)C(F)(F)S(=O)(=O)C1(F)F,FC1(F)C(F)(F)C(F)(F)S(=O)(=O)C1(F)F,"InChI=1/C4F8O2S/c5-1(6)2(7,8)4(11,12)15(13,14)3(1,9)10",C4F8O2S,,,,,,CBDPDNLRQXGUIG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.566,255-642-6,42060-79-7,Piperidine-4-carbonyl chloride hydrochloride,piperidine-4-carbonyl chloride hydrochloride,Cl.ClC(=O)C1CCNCC1,Cl.ClC(=O)C1CCNCC1,"InChI=1/C6H10ClNO.ClH/c7-6(9)5-1-3-8-4-2-5;/h5,8H,1-4H2;1H",C6H10ClNO.ClH,,,,,,SYNYPRPWBDWELP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.568,255-644-7,42068-70-2,2-methylallyl chloroformate,2-methylprop-2-en-1-yl chlorocarbonate,CC(=C)COC(=O)Cl,CC(=C)COC(=O)Cl,"InChI=1/C5H7ClO2/c1-4(2)3-8-5(6)7/h1,3H2,2H3",C5H7ClO2,,,,,,MGDDPXJDBGFXCY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.569,255-645-2,42069-01-2,O-ethyl S-propyl chlorodithiophosphate,O-ethyl S-propyl chlorodithiophosphate,CCCSP(=S)(Cl)OCC,CCCSP(=S)(Cl)OCC,"InChI=1/C5H12ClOPS2/c1-3-5-10-8(6,9)7-4-2/h3-5H2,1-2H3",C5H12ClOPS2,,,,,,YNCRZEUPMCYHDT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.571,255-647-3,42074-68-0,1-chloro-2-(chlorodiphenylmethyl)benzene,1-chloro-2-[chloro(diphenyl)methyl]benzene,Clc1ccccc1C(Cl)(c2ccccc2)c3ccccc3,Clc1ccccc1C(Cl)(c2ccccc2)c3ccccc3,"InChI=1/C19H14Cl2/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H",C19H14Cl2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17094,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.571,JFLSOKIMYBSASW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.572,255-648-9,42075-45-6,S-methyl 2-methylbutanethioate,S-methyl 2-methylbutanethioate,CCC(C)C(=O)SC,CCC(C)C(=O)SC,"InChI=1/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3",C6H12OS,,,,,,IAMIOPHEADLKFT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.577,255-654-1,42087-80-9,Methyl 4-chloro-2-nitrobenzoate,methyl 4-chloro-2-nitrobenzoate,COC(=O)c1ccc(Cl)cc1[N+](=O)[O-],COC(=O)c1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3",C8H6ClNO4,,,,,,JWOSXVMUUBWGOL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.441,253-302-1,36994-36-2,Octadecyl 2-methyl-3-(tridecylthio)propionate,octadecyl 2-methyl-3-(tridecylsulfanyl)propanoate,CCCCCCCCCCCCCCCCCCOC(=O)C(C)CSCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)C(C)CSCCCCCCCCCCCCC,"InChI=1/C35H70O2S/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-37-35(36)34(3)33-38-32-30-28-26-24-22-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3",C35H70O2S,,,,,,CUFPJSAZAYYDAT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.443,253-304-2,36997-05-4,Ethyl 2-methoxyacrylate,ethyl 2-methoxyacrylate,CCOC(=O)C(=C)OC,CCOC(=O)C(=C)OC,"InChI=1/C6H10O3/c1-4-9-6(7)5(2)8-3/h2,4H2,1,3H3",C6H10O3,,,,,,CTTOYDHUFQNBDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.447,253-308-4,37013-20-0,Sodium 3-(trimethylsilyl)propionate,sodium 3-(trimethylsilyl)propanoate,[Na+].C[Si](C)(C)CCC(=O)[O-],[Na+].C[Si](C)(C)CCC(=O)[O-],"InChI=1/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1",C6H14O2Si.Na,,,,,,OIIWPAYIXDCDNL-UHFFFAOYSA-M,,,,,,,,,,,
100.048.456,253-318-9,37029-64-4,3-acetyl-6-hydroxy-4-methyl-2-pyridone,3-acetyl-6-hydroxy-4-methylpyridin-2(1H)-one,CC(=O)C1=C(C)C=C(O)NC1=O,CC(=O)C1=C(C)C=C(O)NC1=O,"InChI=1/C8H9NO3/c1-4-3-6(11)9-8(12)7(4)5(2)10/h3H,1-2H3,(H2,9,11,12)",C8H9NO3,,,,,,KXAZVCRSYYAAAX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.461,253-324-1,37051-05-1,(6R-trans)-3-[(carbamoyloxy)methyl]-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(carbamoyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,NC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3cccs3)C2=O)C(=O)O,NC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3cccs3)C2=O)C(=O)O,"InChI=1/C15H15N3O6S2/c16-15(23)24-5-7-6-26-13-10(12(20)18(13)11(7)14(21)22)17-9(19)4-8-2-1-3-25-8/h1-3,10,13H,4-6H2,(H2,16,23)(H,17,19)(H,21,22)",C15H15N3O6S2,,,,,,YZKJQBUBQFJLMF-GWCFXTLKSA-N,,,,,,,,,,,
100.048.464,253-327-8,37060-36-9,"10-benzoyl-N,N,N',N'-tetraethyl-10H-phenoxazine-3,7-diamine","10-benzoyl-N,N,N',N'-tetraethyl-10H-phenoxazine-3,7-diamine",CCN(CC)c1ccc2N(C(=O)c3ccccc3)c4ccc(cc4Oc2c1)N(CC)CC,CCN(CC)c1ccc2N(C(=O)c3ccccc3)c4ccc(cc4Oc2c1)N(CC)CC,"InChI=1/C27H31N3O2/c1-5-28(6-2)21-14-16-23-25(18-21)32-26-19-22(29(7-3)8-4)15-17-24(26)30(23)27(31)20-12-10-9-11-13-20/h9-19H,5-8H2,1-4H3",C27H31N3O2,,,,,,RWPXSXGJVDDPFE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.465,253-328-3,37063-35-7,"Adenosine sodio-2',3'-phosphate hydrate","sodium 4-(6-amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-olate 2-oxide",Nc1ncnc2c1ncn2C3OC(CO)C4OP(=O)(O[Na])OC34,Nc1ncnc2c1ncn2C3OC(CO)C4OP(=O)(O[Na])OC34,"InChI=1/C10H12N5O6P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);/q;+1/p-1/rC10H11N5NaO6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-17)19-10)20-23(18,21-7)22-16/h2-4,6-7,10,17H,1H2,(H2,11,12,13)",C10H12N5O6P.Na,,,,,,VSDSIACSNXHGOV-UHFFFAOYSA-M,,,,,,,,,,,
100.051.726,256-917-3,51022-74-3,Iotroxic acid,"3,3'-{oxybis[ethane-2,1-diyloxy(1-oxoethane-2,1-diyl)imino]}bis(2,4,6-triiodobenzoic acid)",OC(=O)c1c(I)cc(I)c(NC(=O)COCCOCCOCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,OC(=O)c1c(I)cc(I)c(NC(=O)COCCOCCOCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,"InChI=1/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)",C22H18I6N2O9,,,,,,JXMIBUGMYLQZGO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.729,256-921-5,51026-28-9,Potassium (hydroxymethyl)methyldithiocarbamate,potassium (hydroxymethyl)methyldithiocarbamate,[K+].CN(CO)C(=S)[S-],[K+].CN(CO)C(=S)[S-],"InChI=1/C3H7NOS2.K/c1-4(2-5)3(6)7;/h5H,2H2,1H3,(H,6,7);/q;+1/p-1",C3H7NOS2.K,,,,,,QDESFMLRHRZCSV-UHFFFAOYSA-M,,,,,,,,,,,
100.051.733,256-925-7,51032-47-4,Sodium [[[(heptadecafluorooctyl)sulphonyl]amino]methyl]benzenesulphonate,sodium 2-({[(heptadecafluorooctyl)sulfonyl]amino}methyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccccc1CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]S(=O)(=O)c1ccccc1CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H8F17NO5S2.Na/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)40(37,38)33-5-6-3-1-2-4-7(6)39(34,35)36;/h1-4,33H,5H2,(H,34,35,36);/q;+1/p-1",C15H8F17NO5S2.Na,,,,,,UZYQQZDQGZFHEK-UHFFFAOYSA-M,,,,,,,,,,,
100.051.742,256-935-1,51048-29-4,"2,2,7,7-tetramethyl-3,6-dithia-2,7-disilaoctane","2,2,7,7-tetramethyl-3,6-dithia-2,7-disilaoctane",C[Si](C)(C)SCCS[Si](C)(C)C,C[Si](C)(C)SCCS[Si](C)(C)C,"InChI=1/C8H22S2Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-8H2,1-6H3",C8H22S2Si2,,,,,,CBRFJNLREFDKBD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.745,256-938-8,51052-02-9,"Pentane-1,1,5,5-tetraol","pentane-1,1,5,5-tetrol",OC(O)CCCC(O)O,OC(O)CCCC(O)O,"InChI=1/C5H12O4/c6-4(7)2-1-3-5(8)9/h4-9H,1-3H2",C5H12O4,,,,,,MQYIQOANLHJLJN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.749,256-943-5,51064-65-4,"(4R-trans)-2,2-dimethyl-1,3-dioxolane-4,5-dimethyl bis(toluene-p-sulphonate)","(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)",Cc1ccc(cc1)S(=O)(=O)OCC2OC(C)(C)OC2COS(=O)(=O)c3ccc(C)cc3,Cc1ccc(cc1)S(=O)(=O)OCC2OC(C)(C)OC2COS(=O)(=O)c3ccc(C)cc3,"InChI=1/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3",C21H26O8S2,,,,,,KPFDKWNWYAXRNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.875,258-181-9,52788-78-0,1-[2-[2-(tert-butoxy)ethoxy]ethoxy]butane,1-[2-(2-tert-butoxyethoxy)ethoxy]butane,CCCCOCCOCCOC(C)(C)C,CCCCOCCOCCOC(C)(C)C,"InChI=1/C12H26O3/c1-5-6-7-13-8-9-14-10-11-15-12(2,3)4/h5-11H2,1-4H3",C12H26O3,,,,,,WQQZDUVVRLTLIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.880,258-187-1,52791-15-8,"4,4'-[propane-1,3-diyldi(piperidine-1,4-diyl)]bis[7-nitroquinazoline]","4,4'-(propane-1,3-diyldipiperidine-1,4-diyl)bis(7-nitroquinazoline)",[O-][N+](=O)c1ccc2c(ncnc2c1)C3CCN(CCCN4CCC(CC4)c5ncnc6cc(ccc56)[N+](=O)[O-])CC3,[O-][N+](=O)c1ccc2c(ncnc2c1)C3CCN(CCCN4CCC(CC4)c5ncnc6cc(ccc56)[N+](=O)[O-])CC3,"InChI=1/C29H32N8O4/c38-36(39)22-2-4-24-26(16-22)30-18-32-28(24)20-6-12-34(13-7-20)10-1-11-35-14-8-21(9-15-35)29-25-5-3-23(37(40)41)17-27(25)31-19-33-29/h2-5,16-21H,1,6-15H2",C29H32N8O4,,,,,,WITXHFAUVIACPR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.881,258-188-7,52792-65-1,(methylamino)(methylimino)methanesulphonic acid,(methylamino)(methylimino)methanesulfonic acid,CN=C(NC)S(O)(=O)=O,CN=C(NC)S(O)(=O)=O,"InChI=1/C3H8N2O3S/c1-4-3(5-2)9(6,7)8/h1-2H3,(H,4,5)(H,6,7,8)",C3H8N2O3S,,,,,,XGZVLEAZGCUUPH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.696,253-585-1,37672-58-5,6-hydroxy-5-[(2-methyl-4-sulphophenyl)azo]naphthalene-2-sulphonic acid,6-hydroxy-5-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c3ccc(N=Nc1c2ccc(cc2ccc1O)S(O)(=O)=O)c(C)c3,OS(=O)(=O)c3ccc(N=Nc1c2ccc(cc2ccc1O)S(O)(=O)=O)c(C)c3,"InChI=1/C17H14N2O7S2/c1-10-8-12(27(21,22)23)4-6-15(10)18-19-17-14-5-3-13(28(24,25)26)9-11(14)2-7-16(17)20/h2-9,20H,1H3,(H,21,22,23)(H,24,25,26)",C17H14N2O7S2,,,,,,RNOYGEAADAPOKB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.697,253-586-7,37672-70-1,"2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl benzoate","2-[(2-cyanoethyl){4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}amino]ethyl benzoate",[O-][N+](=O)c1cc(Cl)c(N=Nc2ccc(cc2)N(CCOC(=O)c3ccccc3)CCC#N)c(Cl)c1,[O-][N+](=O)c1cc(Cl)c(N=Nc2ccc(cc2)N(CCOC(=O)c3ccccc3)CCC#N)c(Cl)c1,"InChI=1/C24H19Cl2N5O4/c25-21-15-20(31(33)34)16-22(26)23(21)29-28-18-7-9-19(10-8-18)30(12-4-11-27)13-14-35-24(32)17-5-2-1-3-6-17/h1-3,5-10,15-16H,4,12-14H2",C24H19Cl2N5O4,,,,,,SAOBGDZFYGSXJC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.698,253-587-2,37672-77-8,[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium chloride,"2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium chloride",[Cl-].C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,[Cl-].C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C20H25N6O2.ClH/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;/h6-11,14H,5,12-13H2,1-4H3;1H/q+1;/p-1",C20H25N6O2.Cl,,,,,,SCNFZRUMIZRHGT-UHFFFAOYSA-M,,,,,,,,,,,
100.054.248,259-693-5,55525-34-3,1-(hydroxymethyl)-5-oxo-L-proline,1-(hydroxymethyl)-5-oxo-L-proline,OCN1[C@@H](CCC1=O)C(=O)O,OCN1[C@@H](CCC1=O)C(=O)O,"InChI=1/C6H9NO4/c8-3-7-4(6(10)11)1-2-5(7)9/h4,8H,1-3H2,(H,10,11)",C6H9NO4,,,,,,ADXZNWSXVJABKX-BYPYZUCNSA-N,,,,,,,,,,,
100.054.249,259-694-0,55525-35-4,1-mercaptohexadecan-2-ol,1-sulfanylhexadecan-2-ol,CCCCCCCCCCCCCCC(O)CS,CCCCCCCCCCCCCCC(O)CS,"InChI=1/C16H34OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h16-18H,2-15H2,1H3",C16H34OS,,,,,,LTDQXPKSPMCGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.382,253-237-9,36842-44-1,"Hex-5-ene-1,2-diol","hex-5-ene-1,2-diol",OCC(O)CCC=C,OCC(O)CCC=C,"InChI=1/C6H12O2/c1-2-3-4-6(8)5-7/h2,6-8H,1,3-5H2",C6H12O2,,,,,,WGTGQGJDNAGBCC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.383,253-238-4,36845-33-7,(±)-1-propylpyrrolidine-2-methylamine,1-(1-propylpyrrolidin-2-yl)methanamine,CCCN1CCCC1CN,CCCN1CCCC1CN,"InChI=1/C8H18N2/c1-2-5-10-6-3-4-8(10)7-9/h8H,2-7,9H2,1H3",C8H18N2,,,,,,TZFATUOLQKYADA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.388,253-244-7,36867-70-6,7-amino-4-hydroxy-3-[[3-methyl-4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid,7-amino-4-hydroxy-3-({3-methyl-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N=Nc4c(cc3cc(N)ccc3c4O)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N=Nc4c(cc3cc(N)ccc3c4O)S(O)(=O)=O,"InChI=1/C23H19N5O7S2/c1-13-10-17(5-9-20(13)27-25-16-3-6-18(7-4-16)36(30,31)32)26-28-22-21(37(33,34)35)12-14-11-15(24)2-8-19(14)23(22)29/h2-12,29H,24H2,1H3,(H,30,31,32)(H,33,34,35)",C23H19N5O7S2,,,,,,VUYYBPQNFOUNSL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.203,255-242-1,41153-96-2,"1-(1,3-dioxobutyl)pyrrolidine",4-oxo-4-pyrrolidin-1-ylbutan-2-one,CC(=O)CC(=O)N1CCCC1,CC(=O)CC(=O)N1CCCC1,"InChI=1/C8H13NO2/c1-7(10)6-8(11)9-4-2-3-5-9/h2-6H2,1H3",C8H13NO2,,,,,,GOHRQEHMWBECSS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.214,255-254-7,41197-29-9,Dichloromethanesulphonyl chloride,dichloromethanesulfonyl chloride,ClC(Cl)S(=O)(=O)Cl,ClC(Cl)S(=O)(=O)Cl,"InChI=1/CHCl3O2S/c2-1(3)7(4,5)6/h1H",CHCl3O2S,,,,,,ZTCPYHGKJGSSPD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.216,255-256-8,41199-19-3,"1,2,3,4,4a,5,6,7-octahydro-2,5,5-trimethyl-2-naphthol","2,5,5-trimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol",CC1(O)CCC2C(=CCCC2(C)C)C1,CC1(O)CCC2C(=CCCC2(C)C)C1,"InChI=1/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h5,11,14H,4,6-9H2,1-3H3",C13H22O,,,,,,GPVOTKFXWGURGP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.217,255-257-3,41199-20-6,"Decahydro-2,5,5-trimethyl-2-naphthol","2,5,5-trimethyldecahydronaphthalen-2-ol",CC1(O)CCC2C(CCCC2(C)C)C1,CC1(O)CCC2C(CCCC2(C)C)C1,"InChI=1/C13H24O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h10-11,14H,4-9H2,1-3H3",C13H24O,,,,,,ZQNQUNNLSOTEJY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.229,255-270-4,41227-52-5,"2-isooctyl-4,6-dinitrophenol","2-(6-methylheptyl)-4,6-dinitrophenol",CC(C)CCCCCc1cc(cc(c1O)N(=O)=O)N(=O)=O,CC(C)CCCCCc1cc(cc(c1O)N(=O)=O)N(=O)=O,"InChI=1/C14H20N2O5/c1-10(2)6-4-3-5-7-11-8-12(15(18)19)9-13(14(11)17)16(20)21/h8-10,17H,3-7H2,1-2H3",C14H20N2O5,,,,,,VZPYZYHXSMGBJT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.230,255-272-5,41233-93-6,Potassium 2-methylbutan-2-olate,potassium 2-methylbutan-2-olate,[K+].CCC(C)(C)[O-],[K+].CCC(C)(C)[O-],"InChI=1/C5H11O.K/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1",C5H12O.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16734,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.230,ZRLVQFQTCMUIRM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.232,255-274-6,41239-48-9,"2,5-diethyltetrahydrofuran","2,5-diethyltetrahydrofuran",CCC1CCC(CC)O1,CCC1CCC(CC)O1,"InChI=1/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3",C8H16O,,,,,,YKWLEIXVUHRKEF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.239,255-281-4,41253-36-5,Sodium 5-methyl-1H-benzotriazolide,sodium 5-methylbenzotriazol-1-ide,[Na+].Cc1ccc2[n-]nnc2c1,[Na+].Cc1ccc2[n-]nnc2c1,"InChI=1/C7H6N3.Na/c1-5-2-3-6-7(4-5)9-10-8-6;/h2-4H,1H3;/q-1;+1",C7H7N3.Na,,,,,,KFHGYFIWJGAIDK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.241,255-284-0,41267-43-0,"Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino(6-phenoxy-1,3,5-triazine-4,2-diyl)imino]]bis(benzene-1,4-disulphonate)","hexasodium 2,2'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)imino(6-phenoxy-1,3,5-triazine-4,2-diyl)imino]}dibenzene-1,4-disulfonate",[Na]OS(=O)(=O)c1ccc(c(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(Oc7ccccc7)n5)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])nc(Oc8ccccc8)n2)c1)S(=O)(=O)O[Na],[Na]OS(=O)(=O)c1ccc(c(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(Oc7ccccc7)n5)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])nc(Oc8ccccc8)n2)c1)S(=O)(=O)O[Na],"InChI=1/C44H34N10O20S6.6Na/c55-75(56,57)31-17-19-35(77(61,62)63)33(23-31)47-41-49-39(51-43(53-41)73-29-7-3-1-4-8-29)45-27-15-13-25(37(21-27)79(67,68)69)11-12-26-14-16-28(22-38(26)80(70,71)72)46-40-50-42(54-44(52-40)74-30-9-5-2-6-10-30)48-34-24-32(76(58,59)60)18-20-36(34)78(64,65)66;;;;;;/h1-24H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;;;/q;6*+1/p-6/rC44H28N10Na6O20S6/c55-75-81(61,62)31-17-19-35(83(65,66)77-57)33(23-31)47-41-49-39(51-43(53-41)73-29-7-3-1-4-8-29)45-27-15-13-25(37(21-27)85(69,70)79-59)11-12-26-14-16-28(22-38(26)86(71,72)80-60)46-40-50-42(54-44(52-40)74-30-9-5-2-6-10-30)48-34-24-32(82(63,64)76-56)18-20-36(34)84(67,68)78-58/h1-24H,(H2,45,47,49,51,53)(H2,46,48,50,52,54)",C44H34N10O20S6.6Na,,,,,,OPRWRFBSPWVUMA-UHFFFAOYSA-H,,,,,,,,,,,
100.059.805,265-804-8,65515-53-9,Benzyl anisate,benzyl 4-methoxybenzoate,COc1ccc(cc1)C(=O)OCc2ccccc2,COc1ccc(cc1)C(=O)OCc2ccccc2,"InChI=1/C15H14O3/c1-17-14-9-7-13(8-10-14)15(16)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3",C15H14O3,,,,,,SWWYHGZVYNAAHI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.810,265-810-0,65527-55-1,"Cinnamic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","3-phenylacrylic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)\\C=C\\c1ccccc1,OCCN(CCO)CCO.OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.C6H15NO3/c10-9(11)7-6-8-4-2-1-3-5-8;8-4-1-7(2-5-9)3-6-10/h1-7H,(H,10,11);8-10H,1-6H2",C9H8O2.C6H15NO3,,,,,,VUMGITRPAMHUFV-UHDJGPCESA-N,,,,,,,,,,,
100.059.811,265-811-6,65530-92-9,1-isobutyl-3-methylbutylamine,"2,6-dimethylheptan-4-amine",CC(C)CC(N)CC(C)C,CC(C)CC(N)CC(C)C,"InChI=1/C9H21N/c1-7(2)5-9(10)6-8(3)4/h7-9H,5-6,10H2,1-4H3",C9H21N,,,,,,MBQBDXBBWYTVSP-UHFFFAOYSA-N,,,,,,,,,,,
100.059.812,265-812-1,65530-93-0,3-methylhexylamine,3-methylhexan-1-amine,CCCC(C)CCN,CCCC(C)CCN,"InChI=1/C7H17N/c1-3-4-7(2)5-6-8/h7H,3-6,8H2,1-2H3",C7H17N,,,,,,AWBMXILPKKHYSO-UHFFFAOYSA-N,,,,,,,,,,,
100.059.815,265-815-8,65540-77-4,Didocosyl adipate,didocosyl adipate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C50H98O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-47-53-49(51)45-41-42-46-50(52)54-48-44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3",C50H98O4,,,,,,YTOONCDLEBNDON-UHFFFAOYSA-N,,,,,,,,,,,
100.060.681,266-769-1,67604-48-2,"5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one","5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one",Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2,Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2,"InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",C15H12O5,,,,,,FTVWIRXFELQLPI-UHFFFAOYSA-N,Positive,ML005001,[M+H]+,HCD50,153.0185:147.0443:273.0764,MetaboLights,,,,,
100.060.683,266-771-2,67617-39-4,Potassium 5-oxo-1-phenyl-2-thioxoimidazolidine-4-methanesulphonate,potassium (5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)methanesulfonate,[K+].[O-]S(=O)(=O)CC1NC(=S)N(C1=O)c2ccccc2,[K+].[O-]S(=O)(=O)CC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C10H10N2O4S2.K/c13-9-8(6-18(14,15)16)11-10(17)12(9)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,11,17)(H,14,15,16);/q;+1/p-1",C10H10N2O4S2.K,,,,,,KQOCXOAFBZCYRF-UHFFFAOYSA-M,,,,,,,,,,,
100.060.684,266-772-8,67627-66-1,Zinc (Z)-hexadec-9-enoate,zinc dihexadec-9-enoate,[Zn+2].CCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCC\\C=C/CCCCCCCC(=O)[O-],[Zn+2].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C16H30O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H30O2.1/2Zn,,,,,,TWTVHORHASCLNS-ATMONBRVSA-L,,,,,,,,,,,
100.060.705,266-795-3,67633-94-7,"2-benzyl-4,4,6-trimethyl-1,3-dioxane","2-benzyl-4,4,6-trimethyl-1,3-dioxane",CC1CC(C)(C)OC(Cc2ccccc2)O1,CC1CC(C)(C)OC(Cc2ccccc2)O1,"InChI=1/C14H20O2/c1-11-10-14(2,3)16-13(15-11)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3",C14H20O2,,,,,,KSEFBQCEGMTNPD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.707,266-797-4,67633-96-9,cis-hex-3-en-1-yl methyl carbonate,hex-3-en-1-yl methyl carbonate,CC\\C=C/CCOC(=O)OC,CC\C=C/CCOC(=O)OC,"InChI=1/C8H14O3/c1-3-4-5-6-7-11-8(9)10-2/h4-5H,3,6-7H2,1-2H3",C8H14O3,,,,,,BLOXMGXSDAAJGX-PLNGDYQASA-N,,,,,,,,,,,
100.056.230,261-872-8,59709-09-0,"1-[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]pyridinium acetate","1-[2-(ethyl{4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)ethyl]pyridinium acetate",[O-]C(C)=O.CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3nc(ns3)c4ccccc4,[O-]C(C)=O.CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3nc(ns3)c4ccccc4,"InChI=1/C23H23N6S.C2H4O2/c1-2-29(18-17-28-15-7-4-8-16-28)21-13-11-20(12-14-21)25-26-23-24-22(27-30-23)19-9-5-3-6-10-19;1-2(3)4/h3-16H,2,17-18H2,1H3;1H3,(H,3,4)/q+1;/p-1",C23H23N6S.C2H3O2,,,,,,JPNWWWJVEZVPHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.056.240,261-883-8,59722-76-8,1-amino-2-(4-bromophenoxy)-4-hydroxyanthraquinone,"1-amino-2-(4-bromophenoxy)-4-hydroxy-9,10-anthraquinone",Nc1c(Oc2ccc(Br)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Oc2ccc(Br)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H12BrNO4/c21-10-5-7-11(8-6-10)26-15-9-14(23)16-17(18(15)22)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2",C20H12BrNO4,,,,,,NXLZYWCPIVGZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.244,261-888-5,59726-44-2,Diethyl (3-methylbutyl)allylmalonate,diethyl allyl(3-methylbutyl)malonate,CCOC(=O)C(CCC(C)C)(CC=C)C(=O)OCC,CCOC(=O)C(CCC(C)C)(CC=C)C(=O)OCC,"InChI=1/C15H26O4/c1-6-10-15(11-9-12(4)5,13(16)18-7-2)14(17)19-8-3/h6,12H,1,7-11H2,2-5H3",C15H26O4,,,,,,UWMMFJJQWYLAAX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.876,263-684-1,62669-64-1,Magnesium cyclohexanebutyrate (1:2),magnesium bis(4-cyclohexylbutanoate),[MgH2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,[MgH2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,"InChI=1/2C10H18O2.Mg.2H/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;;;/h2*9H,1-8H2,(H,11,12);;;/q;;+2;;/p-2/r2C10H18O2.H2Mg/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);1H2/q;;+2/p-2",C10H18O2.1/2Mg,,,,,,DDSDKNOTMDIFLF-UHFFFAOYSA-L,,,,,,,,,,,
100.048.466,253-329-9,37064-20-3,Propyl 2-methylbutyrate,propyl 2-methylbutanoate,CCCOC(=O)C(C)CC,CCCOC(=O)C(C)CC,"InChI=1/C8H16O2/c1-4-6-10-8(9)7(3)5-2/h7H,4-6H2,1-3H3",C8H16O2,,,,,,TZFQMSDUSOTCJC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.474,253-338-8,37078-96-9,"Sodium 4-chloro-3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","sodium 4-chloro-3-{[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccc(Cl)cc1)C2=O)c(Cl)cc3,[Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccc(Cl)cc1)C2=O)c(Cl)cc3,"InChI=1/C16H12Cl2N4O4S.Na/c1-9-15(16(23)22(21-9)11-4-2-10(17)3-5-11)20-19-14-8-12(27(24,25)26)6-7-13(14)18;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1",C16H12Cl2N4O4S.Na,,,,,,PKDOCRWEPWVNMS-UHFFFAOYSA-M,,,,,,,,,,,
100.048.477,253-341-4,37087-00-6,Ammonium naphthalene-1-sulphonate,ammonium naphthalene-1-sulfonate,[NH4+].[O-]S(=O)(=O)c1cccc2ccccc12,[NH4+].[O-]S(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.H3N/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);1H3",C10H8O3S.H3N,,,,,,FWDSBAGKRBHRJH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.480,253-345-6,37087-96-0,"trans-2-chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid","2-chloro-5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoic acid",CC1CC(C)CN(C1)S(=O)(=O)c2ccc(Cl)c(c2)C(=O)O,CC1CC(C)CN(C1)S(=O)(=O)c2ccc(Cl)c(c2)C(=O)O,"InChI=1/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)",C14H18ClNO4S,,,,,,IFXSWTIWFGIXQO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.481,253-346-1,37089-77-3,"3,3-diphenylpropionyl chloride","3,3-diphenylpropanoyl chloride",ClC(=O)CC(c1ccccc1)c2ccccc2,ClC(=O)CC(c1ccccc1)c2ccccc2,"InChI=1/C15H13ClO/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2",C15H13ClO,,,,,,UYXDQUAGGZJICS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.796,256-994-3,51117-19-2,"(Z)-3,7-dimethylocta-2,6-dienyl 2-methylbutyrate","3,7-dimethylocta-2,6-dien-1-yl 2-methylbutanoate",CCC(C)C(=O)OC\\C=C(\\C)/CCC=C(C)C,CCC(C)C(=O)OC\C=C(\C)/CCC=C(C)C,"InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3",C15H26O2,,,,,,PEQMAZJTEUEQJP-RAXLEYEMSA-N,,,,,,,,,,,
100.051.797,256-995-9,51120-01-5,4-amino-N-(2-ethylhexyl)benzamide,4-amino-N-(2-ethylhexyl)benzamide,CCCCC(CC)CNC(=O)c1ccc(N)cc1,CCCCC(CC)CNC(=O)c1ccc(N)cc1,"InChI=1/C15H24N2O/c1-3-5-6-12(4-2)11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)",C15H24N2O,,,,,,YDUZSNYLTSGMTE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.799,256-998-5,51123-09-2,5-amino-N-ethyl-2-methyl-N-phenylbenzenesulphonamide,5-amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide,CCN(c1ccccc1)S(=O)(=O)c2cc(N)ccc2C,CCN(c1ccccc1)S(=O)(=O)c2cc(N)ccc2C,"InChI=1/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3",C15H18N2O2S,,,,,,ZAXMFSSGOARPBM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.801,257-000-0,51131-85-2,"5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol","5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol",Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13,Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13,"InChI=1/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3",C17H14N2O,,,,,,QZTWUDDGLIDXSE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.807,257-006-3,51138-06-8,Sodium 1-methyl-1H-tetrazole-5-thiolate,sodium 1-methyl-1H-tetrazole-5-thiolate,[Na+].Cn1nnnc1[S-],[Na+].Cn1nnnc1[S-],"InChI=1/C2H4N4S.Na/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/q;+1/p-1",C2H4N4S.Na,,,,,,OUHLMDFGPKSIAL-UHFFFAOYSA-M,,,,,,,,,,,
100.051.811,257-011-0,51142-88-2,Titanium fluoride,titanium(2+) difluoride,[F-].[F-].[Ti+2],[F-].[F-].[Ti+2],InChI=1/2FH.Ti/h2*1H;/q;;+2/p-2,-,,,,,,YOBCTIIWHLYFII-UHFFFAOYSA-L,,,,,,,,,,,
100.051.817,257-017-3,51152-11-5,"(±)-(1a,2ß,3a,5a)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.824,257-025-7,51160-59-9,"2-[[[[[3-[[[(2-ethylhexyl)oxy]carbonyl]amino]methylphenyl]amino]carbonyl]oxy]methyl]-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate",3-(acryloyloxy)-2-[(acryloyloxy)methyl]-2-{[({3-[({[(2-ethylhexyl)oxy]carbonyl}amino)methyl]phenyl}carbamoyl)oxy]methyl}propyl acrylate (non-preferred name),CCCCC(CC)COC(=O)NCc1cccc(NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)c1,CCCCC(CC)COC(=O)NCc1cccc(NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)c1,"InChI=1/C31H42N2O10/c1-6-11-13-23(7-2)18-39-29(37)32-17-24-14-12-15-25(16-24)33-30(38)43-22-31(19-40-26(34)8-3,20-41-27(35)9-4)21-42-28(36)10-5/h8-10,12,14-16,23H,3-7,11,13,17-22H2,1-2H3,(H,32,37)(H,33,38)",C31H42N2O10,,,,,,IRFFIHOBRFCCOL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.830,257-032-5,51174-93-7,Thiobis[dichloromethane],bis(dichloromethyl) sulfide,ClC(Cl)SC(Cl)Cl,ClC(Cl)SC(Cl)Cl,InChI=1/C2H2Cl4S/c3-1(4)7-2(5)6/h1-2H,C2H2Cl4S,,,,,,IIACAQOZFSAAAK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.835,257-037-2,51183-44-9,Octyl (S)-2-methylvalerate,octyl 2-methylpentanoate,CCCCCCCCOC(=O)[C@@H](C)CCC,CCCCCCCCOC(=O)[C@@H](C)CCC,"InChI=1/C14H28O2/c1-4-6-7-8-9-10-12-16-14(15)13(3)11-5-2/h13H,4-12H2,1-3H3",C14H28O2,,,,,,BPECYXCTWJIGSK-ZDUSSCGKSA-N,,,,,,,,,,,
100.048.712,253-602-2,37673-35-1,Nonadecyl 5-oxo-L-prolinate,nonadecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C24H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-24(27)22-19-20-23(26)25-22/h22H,2-21H2,1H3,(H,25,26)",C24H45NO3,,,,,,WYKNPRLDNHMSHZ-QFIPXVFZSA-N,,,,,,,,,,,
100.048.716,253-606-4,37673-39-5,Tricosyl 5-oxo-L-prolinate,tricosyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C28H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28(31)26-23-24-27(30)29-26/h26H,2-25H2,1H3,(H,29,30)",C28H53NO3,,,,,,PGSABEJBUAHFIK-SANMLTNESA-N,,,,,,,,,,,
100.048.719,253-610-6,37674-63-8,2-methylpent-3-en-1-oic acid,2-methylpent-3-enoic acid,CC(C=CC)C(O)=O,CC(C=CC)C(O)=O,"InChI=1/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)",C6H10O2,,,,,,NFRJJFMXYKSRPK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.730,253-622-1,37678-92-5,"4,4'-bis[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}biphenyl-2,2'-disulfonic acid",CC(=O)C(N=Nc3ccc(c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)C(=O)Nc4ccccc4,CC(=O)C(N=Nc3ccc(c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)C(=O)Nc4ccccc4,"InChI=1/C32H28N6O10S2/c1-19(39)29(31(41)33-21-9-5-3-6-10-21)37-35-23-13-15-25(27(17-23)49(43,44)45)26-16-14-24(18-28(26)50(46,47)48)36-38-30(20(2)40)32(42)34-22-11-7-4-8-12-22/h3-18,29-30H,1-2H3,(H,33,41)(H,34,42)(H,43,44,45)(H,46,47,48)",C32H28N6O10S2,,,,,,NHVRARFGUBOUQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.731,253-623-7,37682-29-4,1-nitro-2-(octyloxy)benzene,1-nitro-2-(octyloxy)benzene,CCCCCCCCOc1ccccc1[N+](=O)[O-],CCCCCCCCOc1ccccc1[N+](=O)[O-],"InChI=1/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3",C14H21NO3,,,,,,CXVOIIMJZFREMM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.736,253-628-4,37688-96-3,"1,14-dibromotetradecane","1,14-dibromotetradecane",BrCCCCCCCCCCCCCCBr,BrCCCCCCCCCCCCCCBr,InChI=1/C14H28Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2,C14H28Br2,,,,,,SDENLXLNLFKRAR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.739,253-632-6,37693-01-9,Clofoctol,"2-(2,4-dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol",CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,"InChI=1/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3",C21H26Cl2O,,,,,,HQVZOORKDNCGCK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.003,257-222-8,51468-82-7,"4-(3,3-dimethyl-2-norbornyl)-3-buten-2-one","4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)but-3-en-2-one",CC(=O)C=CC1C2CCC(C2)C1(C)C,CC(=O)C=CC1C2CCC(C2)C1(C)C,"InChI=1/C13H20O/c1-9(14)4-7-12-10-5-6-11(8-10)13(12,2)3/h4,7,10-12H,5-6,8H2,1-3H3",C13H20O,,,,,,RFOFRIOMKNGUNG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.019,257-240-6,51493-20-0,3-[2-[(4-cinnamyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]propiophenone dimaleate,1-phenyl-3-(2-{[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}-1H-benzimidazol-1-yl)propan-1-one dibut-2-enedioate,OC(=O)\\C=C/C(=O)O.OC(=O)\\C=C/C(=O)O.O=C(CCn1c(CN2CCN(C\\C=C\\c3ccccc3)CC2)nc4ccccc14)c5ccccc5,OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O.O=C(CCn1c(CN2CCN(C\C=C\c3ccccc3)CC2)nc4ccccc14)c5ccccc5,"InChI=1/C30H32N4O.2C4H4O4/c35-29(26-13-5-2-6-14-26)17-19-34-28-16-8-7-15-27(28)31-30(34)24-33-22-20-32(21-23-33)18-9-12-25-10-3-1-4-11-25;2*5-3(6)1-2-4(7)8/h1-16H,17-24H2;2*1-2H,(H,5,6)(H,7,8)",C30H32N4O.2C4H4O4,,,,,,HQQKMIFTIIWMIQ-FCZZSTBBSA-N,,,,,,,,,,,
100.052.024,257-245-3,51501-54-3,Octahydro-1H-1-pyrindine,octahydro-1H-cyclopenta[b]pyridine,C1CNC2CCCC2C1,C1CNC2CCCC2C1,"InChI=1/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2",C8H15N,,,,,,CJNWCWVQGCSQRA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.026,257-247-4,51503-28-7,"4-chloro-2-methylbenzenediazonium 1,5-naphthalenedisulphonate","bis(4-chloro-2-methylbenzenediazonium) naphthalene-1,5-disulfonate",Cc1cc(Cl)ccc1[N+]#N.Cc2cc(Cl)ccc2[N+]#N.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-],Cc1cc(Cl)ccc1[N+]#N.Cc2cc(Cl)ccc2[N+]#N.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-5-4-6(8)2-3-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2",C10H7O6S2.C7H6ClN2,,,,,,PSAWWJOJWWUTJJ-UHFFFAOYSA-L,,,,,,,,,,,
100.052.029,257-251-6,51519-65-4,"4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one","4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one",O=C1CCCC2C3CC(C=C3)C12,O=C1CCCC2C3CC(C=C3)C12,"InChI=1/C11H14O/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h4-5,7-9,11H,1-3,6H2",C11H14O,,,,,,YINCMLNASBORJF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.038,257-261-0,51542-52-0,"1,2-dihydropyridazine-3,6-dione, potassium salt",-,[K+].O=C1NNC(=O)C=C1,[K+].O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2.K/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);/q;+1",C4H4N2O2.xK,,,,,,ONFPEXMNTHPYGN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.243,255-286-1,41267-93-0,(p-chlorophenoxy)isobutyroyl chloride,2-(4-chlorophenoxy)-2-methylpropanoyl chloride,CC(C)(Oc1ccc(Cl)cc1)C(=O)Cl,CC(C)(Oc1ccc(Cl)cc1)C(=O)Cl,"InChI=1/C10H10Cl2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3",C10H10Cl2O2,,,,,,OODRWLGKUBMFLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.773,259-170-1,54454-88-5,"1-(9,10-dihydro-7-octyl-2-phenanthryl)butan-1-one","1-(7-octyl-9,10-dihydrophenanthren-2-yl)butan-1-one",CCCCCCCCc1ccc2c(CCc3cc(ccc23)C(=O)CCC)c1,CCCCCCCCc1ccc2c(CCc3cc(ccc23)C(=O)CCC)c1,"InChI=1/C26H34O/c1-3-5-6-7-8-9-11-20-12-16-24-21(18-20)13-14-22-19-23(15-17-25(22)24)26(27)10-4-2/h12,15-19H,3-11,13-14H2,1-2H3",C26H34O,,,,,,ODGPXCJPHXHBCO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.776,259-173-8,54464-54-9,"1-[1,6-dimethyl-3-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one","1-[1,6-dimethyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]ethanone",CC1CC=C(CCC=C(C)C)CC1(C)C(=O)C,CC1CC=C(CCC=C(C)C)CC1(C)C(=O)C,"InChI=1/C16H26O/c1-12(2)7-6-8-15-10-9-13(3)16(5,11-15)14(4)17/h7,10,13H,6,8-9,11H2,1-5H3",C16H26O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12135,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.776,YNSQAMYQFKBNTH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.777,259-174-3,54464-57-2,"1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one","1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone",CC1CC2=C(CC1(C)C(=O)C)C(C)(C)CCC2,CC1CC2=C(CC1(C)C(=O)C)C(C)(C)CCC2,"InChI=1/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3",C16H26O,,,,,,FVUGZKDGWGKCFE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.778,259-175-9,54464-59-4,"1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthyl)ethan-1-one","1-(2,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone",CC1CC2=C(CCCC2(C)C)CC1(C)C(=O)C,CC1CC2=C(CCCC2(C)C)CC1(C)C(=O)C,"InChI=1/C16H26O/c1-11-9-14-13(7-6-8-15(14,3)4)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3",C16H26O,,,,,,LCZYWDBISQLZSE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.788,259-186-9,54494-56-3,"2,3-dihydroxypropyl 2-[[8-[(trifluoromethyl)thio]-4-quinolyl]amino]benzoate hydrochloride","2,3-dihydroxypropyl 2-({8-[(trifluoromethyl)sulfanyl]quinolin-4-yl}amino)benzoate hydrochloride",Cl.OCC(O)COC(=O)c1ccccc1Nc2ccnc3c(SC(F)(F)F)cccc23,Cl.OCC(O)COC(=O)c1ccccc1Nc2ccnc3c(SC(F)(F)F)cccc23,"InChI=1/C20H17F3N2O4S.ClH/c21-20(22,23)30-17-7-3-5-13-16(8-9-24-18(13)17)25-15-6-2-1-4-14(15)19(28)29-11-12(27)10-26;/h1-9,12,26-27H,10-11H2,(H,24,25);1H",C20H17F3N2O4S.xClH,,,,,,WSGIELNUOPWZOB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.990,253-908-6,38376-28-2,"7-methoxy-3,7-dimethyloctan-1-ol","7-methoxy-3,7-dimethyloctan-1-ol",COC(C)(C)CCCC(C)CCO,COC(C)(C)CCCC(C)CCO,"InChI=1/C11H24O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h10,12H,5-9H2,1-4H3",C11H24O2,,,,,,HAGATCKFXSBCCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.991,253-909-1,38386-99-1,Dipotassium pentachlororuthenate,dipotassium pentachlororuthenate,[K+].[K+].Cl[Ru-](Cl)(Cl)(Cl)Cl.Cl[Ru-](Cl)(Cl)(Cl)Cl,[K+].[K+].Cl[Ru-](Cl)(Cl)(Cl)Cl.Cl[Ru-](Cl)(Cl)(Cl)Cl,"InChI=1/10ClH.2K.2Ru/h10*1H;;;;/q;;;;;;;;;;2*+1;2*+6/p-10/r2Cl5Ru.2K/c2*1-6(2,3,4)5;;/q4*+1",Cl5Ru.2K,,,,,,RVMXXIQJTWOFSZ-UHFFFAOYSA-D,,,,,,,,,,,
100.048.995,253-913-3,38402-02-7,Bis(2-hydroxyethyl)dimethylammonium chloride,"2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylethanaminium chloride",[Cl-].C[N+](C)(CCO)CCO,[Cl-].C[N+](C)(CCO)CCO,"InChI=1/C6H16NO2.ClH/c1-7(2,3-5-8)4-6-9;/h8-9H,3-6H2,1-2H3;1H/q+1;/p-1",C6H16NO2.Cl,,,,,,OPVXPOIGBSHXNM-UHFFFAOYSA-M,,,,,,,,,,,
100.048.998,253-917-5,38411-17-5,"N-(2,5-dichloro-4-nitrophenyl)acetamide","N-(2,5-dichloro-4-nitrophenyl)acetamide",CC(=O)Nc1cc(Cl)c(cc1Cl)[N+](=O)[O-],CC(=O)Nc1cc(Cl)c(cc1Cl)[N+](=O)[O-],"InChI=1/C8H6Cl2N2O3/c1-4(13)11-7-2-6(10)8(12(14)15)3-5(7)9/h2-3H,1H3,(H,11,13)",C8H6Cl2N2O3,,,,,,YOKGZPNQGIYATO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.510,255-581-5,41892-71-1,Sodium 1-ethyl oxosuccinate,"sodium 4-ethoxy-3,4-dioxobutanoate",[Na+].CCOC(=O)C(=O)CC(=O)[O-],[Na+].CCOC(=O)C(=O)CC(=O)[O-],"InChI=1/C6H8O5.Na/c1-2-11-6(10)4(7)3-5(8)9;/h2-3H2,1H3,(H,8,9);/q;+1/p-1",C6H8O5.Na,,,,,,LNPFFSPJTLDKKL-UHFFFAOYSA-M,,,,,,,,,,,
100.050.511,255-582-0,41892-81-3,Ethyl 2-acetyl-4-oxovalerate,ethyl 2-acetyl-4-oxopentanoate,CCOC(=O)C(CC(=O)C)C(=O)C,CCOC(=O)C(CC(=O)C)C(=O)C,"InChI=1/C9H14O4/c1-4-13-9(12)8(7(3)11)5-6(2)10/h8H,4-5H2,1-3H3",C9H14O4,,,,,,WANUOLLLVOSMFL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.512,255-583-6,41903-81-5,Hexadecan-5-one,hexadecan-5-one,CCCCCCCCCCCC(=O)CCCC,CCCCCCCCCCCC(=O)CCCC,"InChI=1/C16H32O/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h3-15H2,1-2H3",C16H32O,,,,,,GASJOQPNNSMIFF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.514,255-585-7,41909-89-1,Bis(benzyltrimethylammonium) hexachloroplatinate(2-),"bis[N,N,N-trimethyl(phenyl)methanaminium] hexachloroplatinate(2-)",C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc2ccccc2.Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc2ccccc2.Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/2C10H16N.6ClH.Pt/c2*1-11(2,3)9-10-7-5-4-6-8-10;;;;;;;/h2*4-8H,9H2,1-3H3;6*1H;/q2*+1;;;;;;;+4/p-6/r2C10H16N.Cl6Pt/c2*1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h2*4-8H,9H2,1-3H3;/q2*+1;-2",C10H16N.1/2Cl6Pt,,,,,,YUGJAYQQUPGLGU-UHFFFAOYSA-H,,,,,,,,,,,
100.057.877,263-685-7,62669-65-2,Barium cyclohexanebutyrate (1:2),barium bis(4-cyclohexylbutanoate),[Ba].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,[Ba].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,"InChI=1/2C10H18O2.Ba/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Ba,,,,,,IAZTZSWKCRJMOU-UHFFFAOYSA-L,,,,,,,,,,,
100.057.887,263-696-7,62682-00-2,"2-(3,4-dichlorophenyl)-5-phenyl-1,3,4-oxadiazole","2-(3,4-dichlorophenyl)-5-phenyl-1,3,4-oxadiazole",Clc1ccc(cc1Cl)c2oc(nn2)c3ccccc3,Clc1ccc(cc1Cl)c2oc(nn2)c3ccccc3,InChI=1/C14H8Cl2N2O/c15-11-7-6-10(8-12(11)16)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8H,C14H8Cl2N2O,,,,,,BLIFQZRKSXICQH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.888,263-697-2,62682-01-3,"2-(2,4-dichlorophenyl)-5-phenyl-1,3,4-oxadiazole","2-(2,4-dichlorophenyl)-5-phenyl-1,3,4-oxadiazole",Clc1ccc(c(Cl)c1)c2oc(nn2)c3ccccc3,Clc1ccc(c(Cl)c1)c2oc(nn2)c3ccccc3,InChI=1/C14H8Cl2N2O/c15-10-6-7-11(12(16)8-10)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8H,C14H8Cl2N2O,,,,,,CCNNEJPCNXRSQA-UHFFFAOYSA-N,,,,,,,,,,,
100.057.889,263-698-8,62682-40-0,Dodecahydro-9H-carbazole-9-carbaldehyde,dodecahydro-9H-carbazole-9-carbaldehyde,O=CN1C2CCCCC2C3CCCCC13,O=CN1C2CCCCC2C3CCCCC13,"InChI=1/C13H21NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h9-13H,1-8H2",C13H21NO,,,,,,OZGORQAYQOJQGC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.894,263-703-3,62701-02-4,Potassium carboxylatomethyl stearate,potassium (stearoyloxy)acetate,[K+].CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[O-],[K+].CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[O-],"InChI=1/C20H38O4.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22;/h2-18H2,1H3,(H,21,22);/q;+1/p-1",C20H38O4.K,,,,,,CENDLXXXKOPCBM-UHFFFAOYSA-M,,,,,,,,,,,
100.057.895,263-704-9,62702-36-7,"1,3-bis(2-hydroxyethoxy)propan-2-ol","1,3-bis(2-hydroxyethoxy)propan-2-ol",OCCOCC(O)COCCO,OCCOCC(O)COCCO,"InChI=1/C7H16O5/c8-1-3-11-5-7(10)6-12-4-2-9/h7-10H,1-6H2",C7H16O5,,,,,,ODMOFUHYUDOOFU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.283,265-231-3,64762-96-5,"Diethyl 2,24-diacetyl-13-[6-[[2-(ethoxycarbonyl)-1,3-dioxobutyl]amino]hexyl]-3,12,14,23-tetraoxo-4,11,13,15,22-pentaazapentacosanedioate","diethyl 2,24-diacetyl-13-(6-{[2-(ethoxycarbonyl)-3-oxobutanoyl]amino}hexyl)-3,12,14,23-tetraoxo-4,11,13,15,22-pentaazapentacosane-1,25-dioate",CCOC(=O)C(C(=O)C)C(=O)NCCCCCCNC(=O)N(CCCCCCNC(=O)C(C(=O)C)C(=O)OCC)C(=O)NCCCCCCNC(=O)C(C(=O)C)C(=O)OCC,CCOC(=O)C(C(=O)C)C(=O)NCCCCCCNC(=O)N(CCCCCCNC(=O)C(C(=O)C)C(=O)OCC)C(=O)NCCCCCCNC(=O)C(C(=O)C)C(=O)OCC,"InChI=1/C41H68N6O14/c1-7-59-37(54)31(28(4)48)34(51)42-22-16-10-12-19-25-45-40(57)47(27-21-15-14-18-24-44-36(53)33(30(6)50)39(56)61-9-3)41(58)46-26-20-13-11-17-23-43-35(52)32(29(5)49)38(55)60-8-2/h31-33H,7-27H2,1-6H3,(H,42,51)(H,43,52)(H,44,53)(H,45,57)(H,46,58)",C41H68N6O14,,,,,,QBVHDXKWFUUQRE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.286,265-235-5,64773-45-1,Sodium butyl trithiocarbonate,sodium butyl trithiocarbonate,[Na+].CCCCSC(=S)[S-],[Na+].CCCCSC(=S)[S-],"InChI=1/C5H10S3.Na/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1",C5H10S3.Na,,,,,,LZIRVILXUYTMFW-UHFFFAOYSA-M,,,,,,,,,,,
100.059.288,265-237-6,64791-32-8,Disodium 5-[[4-[5-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1H-benzimidazole-2-yl]phenyl]azo]salicylate,disodium 5-[(4-{5-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1H-benzimidazol-2-yl}phenyl)diazenyl]-2-hydroxybenzoate,[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3nc4ccc(cc4n3)N=Nc6c(cc5ccc(N)cc5c6O)S([O-])(=O)=O,[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3nc4ccc(cc4n3)N=Nc6c(cc5ccc(N)cc5c6O)S([O-])(=O)=O,"InChI=1/C30H21N7O7S.2Na/c31-17-4-1-16-11-26(45(42,43)44)27(28(39)21(16)12-17)37-36-20-7-9-23-24(14-20)33-29(32-23)15-2-5-18(6-3-15)34-35-19-8-10-25(38)22(13-19)30(40)41;;/h1-14,38-39H,31H2,(H,32,33)(H,40,41)(H,42,43,44);;/q;2*+1/p-2",C30H21N7O7S.2Na,,,,,,OTRXUOSQXSUZIJ-UHFFFAOYSA-L,,,,,,,,,,,
100.059.293,265-242-3,64805-64-7,S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate,S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate,CC(CSC(=O)C)C(=O)Cl,CC(CSC(=O)C)C(=O)Cl,"InChI=1/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3",C6H9ClO2S,,,,,,LUDPWTHDXSOXDX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.296,265-246-5,64828-56-4,Methylquinoxaline,2-methylquinoxaline,Cc1cnc2ccccc2n1,Cc1cnc2ccccc2n1,"InChI=1/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3",C9H8N2,,,,,,ALHUXMDEZNLFTA-UHFFFAOYSA-N,,,,,,,,,,,
100.059.298,265-248-6,64835-63-8,"4-methyl-4'-pentyl-1,1'-biphenyl",4-methyl-4'-pentylbiphenyl,CCCCCc1ccc(cc1)c2ccc(C)cc2,CCCCCc1ccc(cc1)c2ccc(C)cc2,"InChI=1/C18H22/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3",C18H22,,,,,,ZGBOHJUSTPZQPL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.299,265-249-1,64835-96-7,4-[(2-furylmethyl)thio]-4-methylpentan-2-one,4-[(2-furylmethyl)sulfanyl]-4-methylpentan-2-one,CC(=O)CC(C)(C)SCc1occc1,CC(=O)CC(C)(C)SCc1occc1,"InChI=1/C11H16O2S/c1-9(12)7-11(2,3)14-8-10-5-4-6-13-10/h4-6H,7-8H2,1-3H3",C11H16O2S,,,,,,NTTNPAOBBWQSPN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.305,265-255-4,64862-95-9,"Methyl 1-amino-9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxoanthracene-2-carboxylate","methyl 1-amino-4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate",COC(=O)c1cc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c3c1N,COC(=O)c1cc(Nc2ccc(C)cc2)c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C23H18N2O4/c1-12-7-9-13(10-8-12)25-17-11-16(23(28)29-2)20(24)19-18(17)21(26)14-5-3-4-6-15(14)22(19)27/h3-11,25H,24H2,1-2H3",C23H18N2O4,,,,,,PGXKXIJWONSRRI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.852,259-257-4,54618-06-3,Uridine 5'-benzoate,5'-O-benzoyluridine,O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@@H]1O)N3C=CC(=O)NC3=O,O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@@H]1O)N3C=CC(=O)NC3=O,"InChI=1/C16H16N2O7/c19-11-6-7-18(16(23)17-11)14-13(21)12(20)10(25-14)8-24-15(22)9-4-2-1-3-5-9/h1-7,10,12-14,20-21H,8H2,(H,17,19,23)",C16H16N2O7,,,,,,SRLQBOIASWUQBN-FMKGYKFTSA-N,,,,,,,,,,,
100.053.856,259-262-1,54629-96-8,4-methyl-3-phenoxypyridine,4-methyl-3-phenoxypyridine,Cc1ccncc1Oc2ccccc2,Cc1ccncc1Oc2ccccc2,"InChI=1/C12H11NO/c1-10-7-8-13-9-12(10)14-11-5-3-2-4-6-11/h2-9H,1H3",C12H11NO,,,,,,FERWLTQKKCMCTA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.862,259-268-4,54641-19-9,Sodium (S)-2-hydroxy-3-methylbutyrate,sodium 2-hydroxy-3-methylbutanoate,[Na+].CC(C)[C@H](O)C(=O)[O-],[Na+].CC(C)[C@H](O)C(=O)[O-],"InChI=1/C5H10O3.Na/c1-3(2)4(6)5(7)8;/h3-4,6H,1-2H3,(H,7,8);/q;+1/p-1",C5H10O3.Na,,,,,,CPGHJLCKGBLVMB-WCCKRBBISA-M,,,,,,,,,,,
100.053.866,259-273-1,54641-86-0,Sodium S-(2-aminoethyl) thiosulphate,sodium S-(2-aminoethyl) thiosulfate,[Na+].NCCSS(=O)(=O)[O-],[Na+].NCCSS(=O)(=O)[O-],"InChI=1/C2H7NO3S2.Na/c3-1-2-7-8(4,5)6;/h1-3H2,(H,4,5,6);/q;+1/p-1",C2H7NO3S2.Na,,,,,,GYVSVDWSRZTTBO-UHFFFAOYSA-M,,,,,,,,,,,
100.053.872,259-279-4,54654-71-6,"3-ethyl-4,5-dihydro-2-methylthiazolium iodide","3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].CC[N+]1=C(C)SCC1,[I-].CC[N+]1=C(C)SCC1,"InChI=1/C6H12NS.HI/c1-3-7-4-5-8-6(7)2;/h3-5H2,1-2H3;1H/q+1;/p-1",C6H12NS.I,,,,,,YURNHNOWSPDPEL-UHFFFAOYSA-M,,,,,,,,,,,
100.048.754,253-648-3,37742-98-6,"4-bromo-2,2-diphenylbutyric acid","4-bromo-2,2-diphenylbutanoic acid",OC(=O)C(CCBr)(c1ccccc1)c2ccccc2,OC(=O)C(CCBr)(c1ccccc1)c2ccccc2,"InChI=1/C16H15BrO2/c17-12-11-16(15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)",C16H15BrO2,,,,,,GFIYIIRFIODLLU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.758,253-653-0,37755-22-9,Dimethyl cinnamylidenemalonate,dimethyl (3-phenylprop-2-en-1-ylidene)malonate,COC(=O)/C(=C\\C=Cc1ccccc1)C(=O)OC,COC(=O)/C(=C\C=Cc1ccccc1)C(=O)OC,"InChI=1/C14H14O4/c1-17-13(15)12(14(16)18-2)10-6-9-11-7-4-3-5-8-11/h3-10H,1-2H3",C14H14O4,,,,,,QKATZXQTAXGSBB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.760,253-655-1,37762-06-4,Zaprinast,"5-(2-propoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one",CCCOc1ccccc1C2=Nc3[nH]nnc3C(=O)N2,CCCOc1ccccc1C2=Nc3[nH]nnc3C(=O)N2,"InChI=1/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)",C13H13N5O2,,,,,,REZGGXNDEMKIQB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.765,253-660-9,37773-96-9,Dimethylamine sulphate (2:1),-,CNC.CNC.[O-]S(=O)(=O)[O-],CNC.CNC.[O-]S(=O)(=O)[O-],"InChI=1/2C2H7N.H2O4S/c2*1-3-2;1-5(2,3)4/h2*3H,1-2H3;(H2,1,2,3,4)/p-2",C2H7N.1/2H2O4S,,,,,,CWLIWRWKTAVPMN-UHFFFAOYSA-L,,,,,,,,,,,
100.048.766,253-661-4,37777-76-7,2-chloro-6-fluorophenylacetic acid,(2-chloro-6-fluorophenyl)acetic acid,OC(=O)Cc1c(F)cccc1Cl,OC(=O)Cc1c(F)cccc1Cl,"InChI=1/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6ClFO2,,,,,,GUAIAAXDEJZRBP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.769,253-665-6,37784-63-7,Ethyl 3-thienylacetate,ethyl 3-thienylacetate,CCOC(=O)Cc1ccsc1,CCOC(=O)Cc1ccsc1,"InChI=1/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3",C8H10O2S,,,,,,FZBNQIWPYCUPAP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.772,253-668-2,37788-55-9,a-methyl-1H-imidazole-1-ethanol,1-(1H-imidazol-1-yl)propan-2-ol,CC(O)Cn1ccnc1,CC(O)Cn1ccnc1,"InChI=1/C6H10N2O/c1-6(9)4-8-3-2-7-5-8/h2-3,5-6,9H,4H2,1H3",C6H10N2O,,,,,,WCDFMPVITAWTGR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.581,255-658-3,42115-15-1,(allyloxy)pentachlorobenzene,"1-(allyloxy)-2,3,4,5,6-pentachlorobenzene",Clc1c(Cl)c(Cl)c(OCC=C)c(Cl)c1Cl,Clc1c(Cl)c(Cl)c(OCC=C)c(Cl)c1Cl,"InChI=1/C9H5Cl5O/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1,3H2",C9H5Cl5O,,,,,,AQLVKMXNZBBWJI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.587,255-665-1,42122-41-8,a-methylpyrrolidine-1-ethanol,1-pyrrolidin-1-ylpropan-2-ol,CC(O)CN1CCCC1,CC(O)CN1CCCC1,"InChI=1/C7H15NO/c1-7(9)6-8-4-2-3-5-8/h7,9H,2-6H2,1H3",C7H15NO,,,,,,BPYANEJZLUMJNA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.593,255-671-4,42130-99-4,Triammonium hexachlororuthenate,-,[NH4+].[NH4+].[NH4+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].[NH4+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.3H3N.Ru/h6*1H;3*1H3;/q;;;;;;;;;+6/p-3/rCl6Ru.3H3N/c1-7(2,3,4,5)6;;;/h;3*1H3/p+3",Cl6Ru.3H4N,,,,,,LADBVMYDZZSZSM-UHFFFAOYSA-K,,,,,,,,,,,
100.050.594,255-673-5,42131-27-1,Isotridecyl isononanoate,11-methyldodecyl 7-methyloctanoate,CC(C)CCCCCCCCCCOC(=O)CCCCCC(C)C,CC(C)CCCCCCCCCCOC(=O)CCCCCC(C)C,"InChI=1/C22H44O2/c1-20(2)16-12-9-7-5-6-8-10-15-19-24-22(23)18-14-11-13-17-21(3)4/h20-21H,5-19H2,1-4H3",C22H44O2,,,,,,SKMJTOFLXWKGKH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.596,255-675-6,42135-22-8,3-nitrofluoren-9-one,3-nitro-9H-fluoren-9-one,[O-][N+](=O)c1ccc2C(=O)c3ccccc3c2c1,[O-][N+](=O)c1ccc2C(=O)c3ccccc3c2c1,InChI=1/C13H7NO3/c15-13-10-4-2-1-3-9(10)12-7-8(14(16)17)5-6-11(12)13/h1-7H,C13H7NO3,,,,,,GLVSVKSIYXDZHY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.040,257-263-1,51543-39-6,"(S)-2-fluoro-a-methyl[1,1'-biphenyl]-4-acetic acid",2-(2-fluorobiphenyl-4-yl)propanoic acid,C[C@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2,C[C@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2,"InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",C15H13FO2,,,,,,SYTBZMRGLBWNTM-JTQLQIEISA-N,,,,,,,,,,,
100.053.602,258-981-8,54112-23-1,"N,N'-(methylenedi-p-phenylene)bis[hexahydro-2-oxo-1H-azepine-1-carboxamide]","N,N'-(methylenedi-4,1-phenylene)bis(2-oxoazepane-1-carboxamide)",O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCCC3=O)cc2)cc1)N4CCCCCC4=O,O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCCC3=O)cc2)cc1)N4CCCCCC4=O,"InChI=1/C27H32N4O4/c32-24-7-3-1-5-17-30(24)26(34)28-22-13-9-20(10-14-22)19-21-11-15-23(16-12-21)29-27(35)31-18-6-2-4-8-25(31)33/h9-16H,1-8,17-19H2,(H,28,34)(H,29,35)",C27H32N4O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5897,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.602,CFDIRYSIEKJPRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.605,258-984-4,54120-61-5,Prostalene,"methyl 9,11,15-trihydroxy-15-methylprosta-4,5,13-trien-1-oate",O[C@@H]1C[C@H](O)[C@H](C\\C=C=C\\CCC(=O)OC)[C@H]1C=C[C@](C)(O)CCCCC,O[C@@H]1C[C@H](O)[C@H](C\C=C=C\CCC(=O)OC)[C@H]1C=C[C@](C)(O)CCCCC,"InChI=1/C22H36O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h7-8,13,15,17-20,23-24,26H,4-5,9-12,14,16H2,1-3H3",C22H36O5,,,,,,GNIYHUSSKSFYBD-XMGXOGROSA-N,,,,,,,,,,,
100.053.606,258-986-5,54127-58-1,"3-(benzylamino)propane-1,2-diol","3-(benzylamino)propane-1,2-diol",OCC(O)CNCc1ccccc1,OCC(O)CNCc1ccccc1,"InChI=1/C10H15NO2/c12-8-10(13)7-11-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2",C10H15NO2,,,,,,CGBQPTYOFPMKAL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.610,258-990-7,54135-80-7,"2,3,4-trichloroanisole","1,2,3-trichloro-4-methoxybenzene",COc1ccc(Cl)c(Cl)c1Cl,COc1ccc(Cl)c(Cl)c1Cl,"InChI=1/C7H5Cl3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3",C7H5Cl3O,,,,,,FRQUNVLMWIYOLV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.615,258-995-4,54143-54-3,Sepazonium chloride,"1-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-3-(2-phenylethyl)-1H-imidazol-3-ium chloride",[Cl-].Clc1ccc(COC(Cn2cc[n+](CCc3ccccc3)c2)c4ccc(Cl)cc4Cl)c(Cl)c1,[Cl-].Clc1ccc(COC(Cn2cc[n+](CCc3ccccc3)c2)c4ccc(Cl)cc4Cl)c(Cl)c1,"InChI=1/C26H23Cl4N2O.ClH/c27-21-7-6-20(24(29)14-21)17-33-26(23-9-8-22(28)15-25(23)30)16-32-13-12-31(18-32)11-10-19-4-2-1-3-5-19;/h1-9,12-15,18,26H,10-11,16-17H2;1H/q+1;/p-1",C26H23Cl4N2O.Cl,,,,,,RHEJCPIREFCJNF-UHFFFAOYSA-M,,,,,,,,,,,
100.053.616,258-997-5,54143-56-5,"N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide monoacetate","N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide acetate",CC(=O)O.FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2,CC(=O)O.FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2,"InChI=1/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)",C17H20F6N2O3.C2H4O2,,,,,,RKXNZRPQSOPPRN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.617,258-998-0,54145-81-2,"(1a,3ß,6a)-a,a,6-trimethyl-7-oxabicyclo[4.1.0]heptane-3-methanol",2-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)propan-2-ol,CC(C)(O)[C@H]1CC[C@@]2(C)O[C@H]2C1,CC(C)(O)[C@H]1CC[C@@]2(C)O[C@H]2C1,"InChI=1/C10H18O2/c1-9(2,11)7-4-5-10(3)8(6-7)12-10/h7-8,11H,4-6H2,1-3H3",C10H18O2,,,,,,HSMACHQZLSQBIN-OYNCUSHFSA-N,,,,,,,,,,,
100.053.618,258-999-6,54148-08-2,"(R)-4-[4-[(trimethylsilyl)oxy]phenyl]oxazolidine-2,5-dione","4-{4-[(trimethylsilyl)oxy]phenyl}-1,3-oxazolidine-2,5-dione",C[Si](C)(C)Oc1ccc(cc1)[C@H]2NC(=O)OC2=O,C[Si](C)(C)Oc1ccc(cc1)[C@H]2NC(=O)OC2=O,"InChI=1/C12H15NO4Si/c1-18(2,3)17-9-6-4-8(5-7-9)10-11(14)16-12(15)13-10/h4-7,10H,1-3H3,(H,13,15)",C12H15NO4Si,,,,,,GMNTZWSXAJRPQV-SNVBAGLBSA-N,,,,,,,,,,,
100.053.620,259-001-1,54149-83-6,"1-(4-chlorophenyl)-2,2-diethoxyethan-1-one","1-(4-chlorophenyl)-2,2-diethoxyethanone",CCOC(OCC)C(=O)c1ccc(Cl)cc1,CCOC(OCC)C(=O)c1ccc(Cl)cc1,"InChI=1/C12H15ClO3/c1-3-15-12(16-4-2)11(14)9-5-7-10(13)8-6-9/h5-8,12H,3-4H2,1-2H3",C12H15ClO3,,,,,,RMLXSFOEZDXKEK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.624,259-005-3,54164-89-5,"cis-5-hydroxy-a,a,4-trimethylcyclohex-3-ene-1-methanol",5-(1-hydroxy-1-methylethyl)-2-methylcyclohex-2-en-1-ol,CC1=CC[C@H](C[C@H]1O)C(C)(C)O,CC1=CC[C@H](C[C@H]1O)C(C)(C)O,"InChI=1/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3",C10H18O2,,,,,,OMDMTHRBGUBUCO-RKDXNWHRSA-N,,,,,,,,,,,
100.049.007,253-926-4,38430-61-4,Dimethyl(naphthylmethyl)[2-[(1-oxooctadecyl)oxy]ethyl]ammonium chloride,"N,N-dimethyl-N-(1-naphthylmethyl)-2-(stearoyloxy)ethanaminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cccc2ccccc12,[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cccc2ccccc12,"InChI=1/C33H54NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-33(35)36-28-27-34(2,3)29-31-24-21-23-30-22-19-20-25-32(30)31;/h19-25H,4-18,26-29H2,1-3H3;1H/q+1;/p-1",C33H54NO2.Cl,,,,,,BGFGTJZIHQTXHZ-UHFFFAOYSA-M,,,,,,,,,,,
100.049.009,253-929-0,38433-74-8,3-(methylthio)hexanal,3-(methylsulfanyl)hexanal,CCCC(CC=O)SC,CCCC(CC=O)SC,"InChI=1/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3",C7H14OS,,,,,,VIVJHDGDCOQORO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.012,253-932-7,38444-13-2,p-pentylphenyl p-anisate,4-pentylphenyl 4-methoxybenzoate,CCCCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1,CCCCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1,"InChI=1/C19H22O3/c1-3-4-5-6-15-7-11-18(12-8-15)22-19(20)16-9-13-17(21-2)14-10-16/h7-14H,3-6H2,1-2H3",C19H22O3,,,,,,UISXVYOLBGBYCV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.517,255-588-3,41927-69-9,Tetradecyl decanoate,tetradecyl decanoate,CCCCCCCCCCCCCCOC(=O)CCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCCCCC,"InChI=1/C24H48O2/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-26-24(25)22-20-18-16-10-8-6-4-2/h3-23H2,1-2H3",C24H48O2,,,,,,PVJXQWMBHUOOCK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.518,255-589-9,41927-71-3,Decyl myristate,decyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,"InChI=1/C24H48O2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24(25)26-23-21-19-17-12-10-8-6-4-2/h3-23H2,1-2H3",C24H48O2,,,,,,BOUIEBMBWBCUPB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.525,255-597-2,41945-72-6,"1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-phenoxypropan-2-ol]","1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(3-phenoxypropan-2-ol)",CC(C)(c1ccc(OCC(O)COc2ccccc2)cc1)c3ccc(OCC(O)COc4ccccc4)cc3,CC(C)(c1ccc(OCC(O)COc2ccccc2)cc1)c3ccc(OCC(O)COc4ccccc4)cc3,"InChI=1/C33H36O6/c1-33(2,25-13-17-31(18-14-25)38-23-27(34)21-36-29-9-5-3-6-10-29)26-15-19-32(20-16-26)39-24-28(35)22-37-30-11-7-4-8-12-30/h3-20,27-28,34-35H,21-24H2,1-2H3",C33H36O6,,,,,,NDNKKBFJVPZPRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.394,253-251-5,36879-87-5,"5-cyclohexyl-2,4-dimethoxy-<U+03B3>-oxobenzenebutyric acid","4-(5-cyclohexyl-2,4-dimethoxyphenyl)-4-oxobutanoic acid",COc1cc(OC)c(cc1C2CCCCC2)C(=O)CCC(=O)O,COc1cc(OC)c(cc1C2CCCCC2)C(=O)CCC(=O)O,"InChI=1/C18H24O5/c1-22-16-11-17(23-2)14(15(19)8-9-18(20)21)10-13(16)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,20,21)",C18H24O5,,,,,,YOCBPCQZXRQJFU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.396,253-253-6,36881-42-2,1-(bromomethyl)-4-phenoxybenzene,1-(bromomethyl)-4-phenoxybenzene,BrCc1ccc(Oc2ccccc2)cc1,BrCc1ccc(Oc2ccccc2)cc1,"InChI=1/C13H11BrO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2",C13H11BrO,,,,,,CPIGBCFBFZSCQI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.397,253-254-1,36882-17-4,Sodium 2-(diphenylphosphine)benzoate,sodium 2-(diphenylphosphino)benzoate,[Na]OC(=O)c1ccccc1P(c2ccccc2)c3ccccc3,[Na]OC(=O)c1ccccc1P(c2ccccc2)c3ccccc3,"InChI=1/C19H15O2P.Na/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-14H,(H,20,21);/q;+1/p-1",C19H15O2P.Na,,,,,,LOCKDMJLLDIFLY-UHFFFAOYSA-M,,,,,,,,,,,
100.048.399,253-256-2,36888-99-0,"5,5'-(1H-isoindole-1,3(2H)-diylidene)dibarbituric acid","5,5'-(1H-isoindole-1,3(2H)-diylidene)dipyrimidine-2,4,6(1H,3H,5H)-trione",O=C1NC(=O)C(=C2NC(=C3C(=O)NC(=O)NC3=O)c4ccccc24)C(=O)N1,O=C1NC(=O)C(=C2NC(=C3C(=O)NC(=O)NC3=O)c4ccccc24)C(=O)N1,"InChI=1/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4,17H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)",C16H9N5O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13313,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.399,JSBMGPVJAADXIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.403,253-260-4,36896-17-0,Acetamidine monoacetate,ethanimidamide acetate,CC(=N)N.CC(=O)O,CC(=N)N.CC(=O)O,"InChI=1/C2H6N2.C2H4O2/c2*1-2(3)4/h1H3,(H3,3,4);1H3,(H,3,4)",C2H6N2.C2H4O2,,,,,,ZOZNCAMOIPYYIK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.410,253-268-8,36905-16-5,"Sodium 7-isopropyl-1,4-dimethylazulenesulphonate","sodium 7-isopropyl-1,4-dimethyl-1,2-dihydroazulene-1-sulfonate",[Na+].CC(C)C1=CC=C(C)C2=CCC(C)(C2=C1)S(=O)(=O)[O-],[Na+].CC(C)C1=CC=C(C)C2=CCC(C)(C2=C1)S(=O)(=O)[O-],"InChI=1/C15H20O3S.Na/c1-10(2)12-6-5-11(3)13-7-8-15(4,14(13)9-12)19(16,17)18;/h5-7,9-10H,8H2,1-4H3,(H,16,17,18);/q;+1/p-1",C15H18O3S.Na,,,,,,IJMSROBVXKIESH-UHFFFAOYSA-M,,,,,,,,,,,
100.048.412,253-270-9,36913-91-4,"1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonic anhydride","1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonic anhydride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8F18O5S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(27,28)31-33(29,30)8(25,26)4(15,16)2(11,12)6(20,21)22",C8F18O5S2,,,,,,QKIHLPFZYGFMDK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.415,253-274-0,36926-29-1,"1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone, disodium salt","1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone, disodium salt",[Na+].[Na+].O=C1NC(=O)C2=C(N1)C(=O)NC(=O)N2,[Na+].[Na+].O=C1NC(=O)C2=C(N1)C(=O)NC(=O)N2,"InChI=1/C6H4N4O4.2Na/c11-3-1-2(8-6(14)9-3)4(12)10-5(13)7-1;;/h(H2,7,10,12,13)(H2,8,9,11,14);;/q;2*+1",C6H4N4O4.2Na,,,,,,XBAMBBHNQXIYOI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.419,253-278-2,36930-64-0,8-[[2-(iodoacetamido)ethyl]amino]naphthalene-1-sulphonic acid,8-({2-[(iodoacetyl)amino]ethyl}amino)naphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc2cccc(NCCNC(=O)CI)c12,OS(=O)(=O)c1cccc2cccc(NCCNC(=O)CI)c12,"InChI=1/C14H15IN2O4S/c15-9-13(18)17-8-7-16-11-5-1-3-10-4-2-6-12(14(10)11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)",C14H15IN2O4S,,,,,,ZDIHEEHLFMMPKM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.421,253-280-3,36936-37-5,[p-[[4-[ethyl[2-hydroxy-3-(trimethylammonio)propyl]amino]-o-tolyl]azo]-ß-oxophenethyl]trimethylammonium bis[tetrafluoroborate(1-)],"3-{ethyl[3-methyl-4-({4-[(trimethylammonio)acetyl]phenyl}diazenyl)phenyl]amino}-2-hydroxy-N,N,N-trimethylpropan-1-aminium ditetrafluoroborate",F[B-](F)(F)F.F[B-](F)(F)F.C[N+](C)(C)CC(=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC(O)C[N+](C)(C)C)cc2,F[B-](F)(F)F.F[B-](F)(F)F.C[N+](C)(C)CC(=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC(O)C[N+](C)(C)C)cc2,"InChI=1/C26H41N5O2.2BF4/c1-9-29(17-24(32)18-30(3,4)5)23-14-15-25(20(2)16-23)28-27-22-12-10-21(11-13-22)26(33)19-31(6,7)8;2*2-1(3,4)5/h10-16,24,32H,9,17-19H2,1-8H3;;/q+2;2*-1",C26H41N5O2.2BF4,,,,,,YHUMHXRJQYDDAR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.307,265-258-0,64864-07-9,"Methyl dihydrogen phosphate, compound with 2-aminoethanol (1:2)",methyl dihydrogen phosphate - 2-aminoethanol (1:2),OCCN.OP(=O)(O)OC.NCCO,OCCN.OP(=O)(O)OC.NCCO,"InChI=1/2C2H7NO.CH5O4P/c2*3-1-2-4;1-5-6(2,3)4/h2*4H,1-3H2;1H3,(H2,2,3,4)",C2H7NO.1/2CH5O4P,,,,,,IVPQOFNCQFQHLT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.827,265-828-9,65576-13-8,"trans-1,2,3,4,4a,13b-hexahydro-2-methyldibenzo[2,3:6,7]thiepino[4,5-c]pyridine","2-methyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-c]pyridine",CN1CC[C@H]2[C@H](C1)c3ccccc3Sc4ccccc24,CN1CC[C@H]2[C@H](C1)c3ccccc3Sc4ccccc24,"InChI=1/C18H19NS/c1-19-11-10-13-14-6-2-4-8-17(14)20-18-9-5-3-7-15(18)16(13)12-19/h2-9,13,16H,10-12H2,1H3",C18H19NS,,,,,,NEQOHDVAFMMCPE-CJNGLKHVSA-N,,,,,,,,,,,
100.059.831,265-833-6,65581-15-9,"2,2'-[(1-methylethylidene)bis[(2-bromo-4,1-phenylene)oxy]]bisethanol","2,2'-{propane-2,2-diylbis[(2-bromo-4,1-phenylene)oxy]}diethanol",CC(C)(c1ccc(OCCO)c(Br)c1)c2ccc(OCCO)c(Br)c2,CC(C)(c1ccc(OCCO)c(Br)c1)c2ccc(OCCO)c(Br)c2,"InChI=1/C19H22Br2O4/c1-19(2,13-3-5-17(15(20)11-13)24-9-7-22)14-4-6-18(16(21)12-14)25-10-8-23/h3-6,11-12,22-23H,7-10H2,1-2H3",C19H22Br2O4,,,,,,LFEXGRKRPALUFH-UHFFFAOYSA-N,,,,,,,,,,,
100.059.847,265-850-9,65644-60-2,2-methyldodecanonitrile,2-methyldodecanenitrile,CCCCCCCCCCC(C)C#N,CCCCCCCCCCC(C)C#N,"InChI=1/C13H25N/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h13H,3-11H2,1-2H3",C13H25N,,,,,,ADJWCDXUXUVWNV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.849,265-853-5,65652-27-9,1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylic acid,1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carboxylic acid,CC(=CCCC1=CCCC(C)(C1)C(=O)O)C,CC(=CCCC1=CCCC(C)(C1)C(=O)O)C,"InChI=1/C14H22O2/c1-11(2)6-4-7-12-8-5-9-14(3,10-12)13(15)16/h6,8H,4-5,7,9-10H2,1-3H3,(H,15,16)",C14H22O2,,,,,,YFCNEIWVIJVLHW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.850,265-854-0,65652-28-0,Ethyl 1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylate,ethyl 1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carboxylate,CCOC(=O)C1(C)CCC=C(CCC=C(C)C)C1,CCOC(=O)C1(C)CCC=C(CCC=C(C)C)C1,"InChI=1/C16H26O2/c1-5-18-15(17)16(4)11-7-10-14(12-16)9-6-8-13(2)3/h8,10H,5-7,9,11-12H2,1-4H3",C15H24O2,,,,,,YWGWPZZZWHDBPD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.709,266-800-9,67633-98-1,2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)pent-2-enyl butyrate,2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)pent-2-en-1-yl butyrate,CCCC(=O)OCC(C)=CCCC2(C)C(=C)C1CC2CC1,CCCC(=O)OCC(C)=CCCC2(C)C(=C)C1CC2CC1,"InChI=1/C19H30O2/c1-5-7-18(20)21-13-14(2)8-6-11-19(4)15(3)16-9-10-17(19)12-16/h8,16-17H,3,5-7,9-13H2,1-2,4H3",C19H30O2,,,,,,JBONJDLTGVVYHE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.711,266-803-5,67634-00-8,Allyl (3-methylbutoxy)acetate,allyl (3-methylbutoxy)acetate,CC(C)CCOCC(=O)OCC=C,CC(C)CCOCC(=O)OCC=C,"InChI=1/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3",C10H18O3,,,,,,XCWPXUNHSPOFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.060.720,266-812-4,67634-09-7,"2-methyloctane-1,3-diyl diacetate","2-methyloctane-1,3-diyl diacetate",CCCCCC(OC(=O)C)C(C)COC(=O)C,CCCCCC(OC(=O)C)C(C)COC(=O)C,"InChI=1/C13H24O4/c1-5-6-7-8-13(17-12(4)15)10(2)9-16-11(3)14/h10,13H,5-9H2,1-4H3",C13H24O4,,,,,,TVGYJOZXWMFEJX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.721,266-814-5,67634-10-0,p-isopropyl-ß-methylphenethyl alcohol,2-(4-isopropylphenyl)propan-1-ol,CC(C)c1ccc(cc1)C(C)CO,CC(C)c1ccc(cc1)C(C)CO,"InChI=1/C12H18O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-7,9-10,13H,8H2,1-3H3",C12H18O,,,,,,DGWSPUSOJBEVIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.731,266-825-5,67634-20-2,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl isobutyrate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl 2-methylpropanoate",CC(C)C(=O)OC1CC2CC1C3C=CCC23,CC(C)C(=O)OC1CC2CC1C3C=CCC23,"InChI=1/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,8-13H,4,6-7H2,1-2H3",C14H20O2,,,,,,QNEXACLQEWOALO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.733,266-827-6,67634-22-4,"2,4-dimethylcyclohexylmethyl acetate","(2,4-dimethylcyclohexyl)methyl acetate",CC1CCC(COC(=O)C)C(C)C1,CC1CCC(COC(=O)C)C(C)C1,"InChI=1/C11H20O2/c1-8-4-5-11(9(2)6-8)7-13-10(3)12/h8-9,11H,4-7H2,1-3H3",C11H20O2,,,,,,KLSKYUJILONZTN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.748,266-843-3,67662-98-0,3-methyl-5-propylcyclohexan-1-one,3-methyl-5-propylcyclohexanone,CCCC1CC(C)CC(=O)C1,CCCC1CC(C)CC(=O)C1,"InChI=1/C10H18O/c1-3-4-9-5-8(2)6-10(11)7-9/h8-9H,3-7H2,1-2H3",C10H18O,,,,,,KGGLFLCEXPARDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.000,261-620-7,59130-70-0,Octadecyl 2-ethylhexanoate,octadecyl 2-ethylhexanoate,CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC,CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC,"InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-26(27)25(6-3)23-8-5-2/h25H,4-24H2,1-3H3",C26H52O2,,,,,,PIUVNPNBPWVVKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.002,261-622-8,59138-84-0,Tetramethylammonium formate,"N,N,N-trimethylmethanaminium formate",C[N+](C)(C)C.[O-]C=O,C[N+](C)(C)C.[O-]C=O,"InChI=1/C4H12N.CH2O2/c1-5(2,3)4;2-1-3/h1-4H3;1H,(H,2,3)/q+1;/p-1",C4H12N.CHO2,,,,,,WWIYWFVQZQOECA-UHFFFAOYSA-M,,,,,,,,,,,
100.050.600,255-679-8,42142-52-9,a-[2-(methylamino)ethyl]benzyl alcohol,3-(methylamino)-1-phenylpropan-1-ol,CNCCC(O)c1ccccc1,CNCCC(O)c1ccccc1,"InChI=1/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3",C10H15NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18070,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.600,XXSDCGNHLFVSET-UHFFFAOYSA-N,,,,,,,,,,,
100.050.603,255-682-4,42145-66-4,"a,a,ß,ß-tetrafluoro-2-methylphenetole","1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene",Cc1ccccc1OC(F)(F)C(F)F,Cc1ccccc1OC(F)(F)C(F)F,"InChI=1/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3",C9H8F4O,,,,,,OHXFFMAUQJFAAF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.608,255-688-7,42155-14-6,"2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-bispropionohydrazide","3,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)dipropanehydrazide",NNC(=O)CCC1OCC2(COC(CCC(=O)NN)OC2)CO1,NNC(=O)CCC1OCC2(COC(CCC(=O)NN)OC2)CO1,"InChI=1/C13H24N4O6/c14-16-9(18)1-3-11-20-5-13(6-21-11)7-22-12(23-8-13)4-2-10(19)17-15/h11-12H,1-8,14-15H2,(H,16,18)(H,17,19)",C13H24N4O6,,,,,,YCZPNCIOGSJLMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.609,255-689-2,42160-83-8,Disodium 1-hexadecyl 2-sulphonatosuccinate,disodium 4-(hexadecyloxy)-4-oxo-3-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H38O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;;/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);;/q;2*+1/p-2",C20H38O7S.2Na,,,,,,WSOLVYCTMKJMBJ-UHFFFAOYSA-L,,,,,,,,,,,
100.050.612,255-692-9,42169-95-9,Bis(dibutoxyphosphinothioyl) tetrasulphide,"O,O-dibutyl [(dibutoxyphosphorothioyl)tetrasulfanyl]phosphonothioate",CCCCOP(=S)(OCCCC)SSSSP(=S)(OCCCC)OCCCC,CCCCOP(=S)(OCCCC)SSSSP(=S)(OCCCC)OCCCC,"InChI=1/C16H36O4P2S6/c1-5-9-13-17-21(23,18-14-10-6-2)25-27-28-26-22(24,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3",C16H36O4P2S6,,,,,,RGOHRBHYRDILJN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.617,255-698-1,42181-64-6,"Sodium 2-[2-[4'-[2-(2-phenyl-2H-1,2,3-triazol-4-yl)vinyl][1,1'-biphenyl]-4-yl]vinyl]benzenesulphonate","sodium 2-(2-{4'-[2-(2-phenyl-2H-1,2,3-triazol-4-yl)vinyl]biphenyl-4-yl}vinyl)benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccccc1\\C=C\\c2ccc(cc2)c3ccc(\\C=C\\c4cnn(n4)c5ccccc5)cc3,[Na+].[O-]S(=O)(=O)c1ccccc1\C=C\c2ccc(cc2)c3ccc(\C=C\c4cnn(n4)c5ccccc5)cc3,"InChI=1/C30H23N3O3S.Na/c34-37(35,36)30-9-5-4-6-27(30)20-14-23-10-16-25(17-11-23)26-18-12-24(13-19-26)15-21-28-22-31-33(32-28)29-7-2-1-3-8-29;/h1-22H,(H,34,35,36);/q;+1/p-1",C30H23N3O3S.Na,,,,,,PBUVGOUNRWAPIH-JICTWDTMSA-M,,,,,,,,,,,
100.050.624,255-705-8,42196-97-4,(E)9-(2-phenylvinyl)anthracene,9-(2-phenylvinyl)anthracene,C(=Cc1c2ccccc2cc3ccccc13)c4ccccc4,C(=Cc1c2ccccc2cc3ccccc13)c4ccccc4,InChI=1/C22H16/c1-2-8-17(9-3-1)14-15-22-20-12-6-4-10-18(20)16-19-11-5-7-13-21(19)22/h1-16H,C22H16,,,,,,HCSGQHDONHRJCM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.483,253-348-2,37091-66-0,Azlocillin,"3,3-dimethyl-7-oxo-6-{[{[(2-oxoimidazolidin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",C[C@@]3(C)S[C@@H]4[C@H](NC(=O)[C@H](NC(=O)N1CCNC1=O)c2ccccc2)C(=O)N4[C@H]3C(O)=O,C[C@@]3(C)S[C@@H]4[C@H](NC(=O)[C@H](NC(=O)N1CCNC1=O)c2ccccc2)C(=O)N4[C@H]3C(O)=O,"InChI=1/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)",C20H23N5O6S,,,,,,JTWOMNBEOCYFNV-NFFDBFGFSA-N,,,,,,,,,,,
100.048.489,253-355-0,37132-68-6,m-aminobenzamidine dihydrochloride,3-aminobenzenecarboximidamide dihydrochloride,Cl.Cl.NC(=N)c1cccc(N)c1,Cl.Cl.NC(=N)c1cccc(N)c1,"InChI=1/C7H9N3.2ClH/c8-6-3-1-2-5(4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H",C7H9N3.2ClH,,,,,,FKFMMMVFFYPIEE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.490,253-356-6,37133-43-0,"Dihydro-a,a,a',a'-tetramethyl-2-oxo-2H,4H-pyrimidine-1,3-dipropionic acid","3,3'-(2-oxodihydropyrimidine-1,3(2H,4H)-diyl)bis(2,2-dimethylpropanoic acid)",CC(C)(CN1CCCN(CC(C)(C)C(=O)O)C1=O)C(=O)O,CC(C)(CN1CCCN(CC(C)(C)C(=O)O)C1=O)C(=O)O,"InChI=1/C14H24N2O5/c1-13(2,10(17)18)8-15-6-5-7-16(12(15)21)9-14(3,4)11(19)20/h5-9H2,1-4H3,(H,17,18)(H,19,20)",C14H24N2O5,,,,,,XXISCGZTUNMEFW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.492,253-358-7,37138-23-1,"Disodium 4,4'-bis[(6-anilino-4-chloro-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Cl)nc(Nc3ccccc3)n2)ccc1\\C=C\\c4ccc(Nc5nc(Cl)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Cl)nc(Nc3ccccc3)n2)ccc1\C=C\c4ccc(Nc5nc(Cl)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-],"InChI=1/C32H24Cl2N10O6S2.2Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;/q;2*+1/p-2",C32H24Cl2N10O6S2.2Na,,,,,,KGSSIJBRDHHFTI-YHPRVSEPSA-L,,,,,,,,,,,
100.049.013,253-933-2,38444-15-4,4-pentylphenyl 4-(hexyloxy)benzoate,4-pentylphenyl 4-(hexyloxy)benzoate,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(CCCCC)cc2,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(CCCCC)cc2,"InChI=1/C24H32O3/c1-3-5-7-9-19-26-22-17-13-21(14-18-22)24(25)27-23-15-11-20(12-16-23)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3",C24H32O3,,,,,,IRMSQSDYVDQMKE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.016,253-936-9,38447-22-2,Di-sec-butyl adipate,di-sec-butyl adipate,CCC(C)OC(=O)CCCCC(=O)OC(C)CC,CCC(C)OC(=O)CCCCC(=O)OC(C)CC,"InChI=1/C14H26O4/c1-5-11(3)17-13(15)9-7-8-10-14(16)18-12(4)6-2/h11-12H,5-10H2,1-4H3",C14H26O4,,,,,,MIICPMNQUSMWGD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.884,258-191-3,52794-33-9,"Decahydro-1,4:5,8-dimethanonaphthalene-2-(methylamine)","1-(decahydro-1,4:5,8-dimethanonaphthalen-2-yl)methanamine",NCC1CC2CC1C3C4CCC(C4)C23,NCC1CC2CC1C3C4CCC(C4)C23,"InChI=1/C13H21N/c14-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13/h7-13H,1-6,14H2",C13H21N,,,,,,IEYQVYKGCHQONX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.885,258-192-9,52794-34-0,"Tetradecahydro-1,4:5,8:9,10-trimethylanthracene-2-methylamine","1-hexacyclo[6.6.1.1~3,6~.1~10,13~.0~2,7~.0~9,14~]heptadec-4-ylmethanamine (non-preferred name)",NCC1CC2CC1C3C4CC(C5C6CCC(C6)C45)C23,NCC1CC2CC1C3C4CC(C5C6CCC(C6)C45)C23,"InChI=1/C18H27N/c19-7-11-4-10-5-12(11)18-14-6-13(17(10)18)15-8-1-2-9(3-8)16(14)15/h8-18H,1-7,19H2",C18H27N,,,,,,RIZITHXTPOYYMA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.889,258-197-6,52811-70-8,N-(1-oxopropyl)-DL-methionine,N-propionyl-L-methionine,CCC(=O)N[C@@H](CCSC)C(=O)O,CCC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C8H15NO3S/c1-3-7(10)9-6(8(11)12)4-5-13-2/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)",C8H15NO3S,,,,,,RBAAEQRITQHPJM-LURJTMIESA-N,,,,,,,,,,,
100.052.895,258-203-7,52821-24-6,"2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione","2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione",OCCCNc1ccc2C(=O)N(CCCO)C(=O)c3cccc1c23,OCCCNc1ccc2C(=O)N(CCCO)C(=O)c3cccc1c23,"InChI=1/C18H20N2O4/c21-10-2-8-19-15-7-6-14-16-12(15)4-1-5-13(16)17(23)20(18(14)24)9-3-11-22/h1,4-7,19,21-22H,2-3,8-11H2",C18H20N2O4,,,,,,WPQGAQRPOWJJGT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.905,258-214-7,52836-31-4,"3-(dichloroacetyl)-2,2,5-trimethyloxazolidine","3-(dichloroacetyl)-2,2,5-trimethyl-1,3-oxazolidine",CC1CN(C(=O)C(Cl)Cl)C(C)(C)O1,CC1CN(C(=O)C(Cl)Cl)C(C)(C)O1,"InChI=1/C8H13Cl2NO2/c1-5-4-11(7(12)6(9)10)8(2,3)13-5/h5-6H,4H2,1-3H3",C8H13Cl2NO2,,,,,,YNQSILKYZQZHFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.907,258-216-8,52840-38-7,7-(ethylamino)-4-(trifluoromethyl)-2-benzopyrone,7-(ethylamino)-4-(trifluoromethyl)-2H-chromen-2-one,CCNc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,CCNc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,"InChI=1/C12H10F3NO2/c1-2-16-7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6,16H,2H2,1H3",C12H10F3NO2,,,,,,GZTMNDOZYLMFQE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.913,258-223-6,52849-47-5,2-(2-hydroxyethoxy)ethyl myristate,2-(2-hydroxyethoxy)ethyl myristate,CCCCCCCCCCCCCC(=O)OCCOCCO,CCCCCCCCCCCCCC(=O)OCCOCCO,"InChI=1/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(20)22-17-16-21-15-14-19/h19H,2-17H2,1H3",C18H36O4,,,,,,LZSVYIQKUAVZFB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.917,258-227-8,52869-31-5,1-[[4-(dimethylamino)phenyl]amino]-4-hydroxyanthraquinone,"1-{[4-(dimethylamino)phenyl]amino}-4-hydroxy-9,10-anthraquinone",CN(C)c1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,CN(C)c1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C22H18N2O3/c1-24(2)14-9-7-13(8-10-14)23-17-11-12-18(25)20-19(17)21(26)15-5-3-4-6-16(15)22(20)27/h3-12,23,25H,1-2H3",C22H18N2O3,,,,,,UWDPSTRFRZUJGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.918,258-228-3,52869-33-7,"1,4-bis[[3-(dimethylamino)propyl]amino]anthraquinone","1,4-bis{[3-(dimethylamino)propyl]amino}-9,10-anthraquinone",CN(C)CCCNc1ccc(NCCCN(C)C)c2C(=O)c3ccccc3C(=O)c12,CN(C)CCCNc1ccc(NCCCN(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C24H32N4O2/c1-27(2)15-7-13-25-19-11-12-20(26-14-8-16-28(3)4)22-21(19)23(29)17-9-5-6-10-18(17)24(22)30/h5-6,9-12,25-26H,7-8,13-16H2,1-4H3",C24H32N4O2,,,,,,VHYAWLPWWTTXKM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.921,258-232-5,52870-69-6,"Potassium p-[2,2,2-trifluoro-1-(p-hydroxyphenyl)-1-(trifluoromethyl)ethyl]phenolate","potassium 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(trifluoromethyl)ethyl]phenolate",[K+].Oc1ccc(cc1)C(c2ccc([O-])cc2)(C(F)(F)F)C(F)(F)F,[K+].Oc1ccc(cc1)C(c2ccc([O-])cc2)(C(F)(F)F)C(F)(F)F,"InChI=1/C15H10F6O2.K/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;/h1-8,22-23H;/q;+1/p-1",C15H10F6O2.K,,,,,,BNMXZMYLDBRDSC-UHFFFAOYSA-M,,,,,,,,,,,
100.052.922,258-233-0,52883-26-8,"4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one","4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one",CCN1C(=O)NN=C1CC,CCN1C(=O)NN=C1CC,"InChI=1/C6H11N3O/c1-3-5-7-8-6(10)9(5)4-2/h3-4H2,1-2H3,(H,8,10)",C6H11N3O,,,,,,UEUMMYRZUZKMRI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.926,258-237-2,52888-49-0,"Methyl N-(2,6-dimethylphenyl)-DL-alaninate","methyl N-(2,6-dimethylphenyl)-L-alaninate",COC(=O)[C@H](C)Nc1c(C)cccc1C,COC(=O)[C@H](C)Nc1c(C)cccc1C,"InChI=1/C12H17NO2/c1-8-6-5-7-9(2)11(8)13-10(3)12(14)15-4/h5-7,10,13H,1-4H3",C12H17NO2,,,,,,NEOYGRJJOGVQPO-JTQLQIEISA-N,,,,,,,,,,,
100.048.741,253-634-7,37697-65-7,"1-methyl-N,N',N''-tris(1-methylpropyl)silanetriamine","N,N',N''-tri-sec-butyl-1-methylsilanetriamine",CCC(C)N[Si](C)(NC(C)CC)NC(C)CC,CCC(C)N[Si](C)(NC(C)CC)NC(C)CC,"InChI=1/C13H33N3Si/c1-8-11(4)14-17(7,15-12(5)9-2)16-13(6)10-3/h11-16H,8-10H2,1-7H3",C13H33N3Si,,,,,,OGVVDLMGEQARAV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.423,253-282-4,36939-28-3,1-methyl-2-phenylpiperidine,1-methyl-2-phenylpiperidine,CN1CCCCC1c2ccccc2,CN1CCCCC1c2ccccc2,"InChI=1/C12H17N/c1-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3",C12H17N,,,,,,BWKXKKCHHWEDFS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.428,253-288-7,36957-84-3,2-(triethoxysilyl)propylamine,2-(triethoxysilyl)propan-1-amine,CCO[Si](OCC)(OCC)C(C)CN,CCO[Si](OCC)(OCC)C(C)CN,"InChI=1/C9H23NO3Si/c1-5-11-14(12-6-2,13-7-3)9(4)8-10/h9H,5-8,10H2,1-4H3",C9H23NO3Si,,,,,,RYRGXTAWWFMZRN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.435,253-296-0,36983-28-5,"Isopropyl 2,4-dioxovalerate","isopropyl 2,4-dioxopentanoate",CC(C)OC(=O)C(=O)CC(=O)C,CC(C)OC(=O)C(=O)CC(=O)C,"InChI=1/C8H12O4/c1-5(2)12-8(11)7(10)4-6(3)9/h5H,4H2,1-3H3",C8H12O4,,,,,,MTWDPRMKRJQPIO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.248,255-291-9,41283-72-1,Ethyl 2-(4-isobutylphenyl)propionate,ethyl 2-(4-isobutylphenyl)propanoate,CCOC(=O)C(C)c1ccc(CC(C)C)cc1,CCOC(=O)C(C)c1ccc(CC(C)C)cc1,"InChI=1/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3",C15H22O2,,,,,,HXTFUVWJFLDLJP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.249,255-292-4,41284-31-5,"2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl methyl terephthalate","2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}ethyl methyl terephthalate",CCN(CCOC(=O)c1ccc(cc1)C(=O)OC)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCOC(=O)c1ccc(cc1)C(=O)OC)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C24H23N3O4/c1-4-27(22-10-9-21(17(2)13-22)14-18(15-25)16-26)11-12-31-24(29)20-7-5-19(6-8-20)23(28)30-3/h5-10,13-14H,4,11-12H2,1-3H3",C24H23N3O4,,,,,,YUBMQECDGDMIIE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.755,256-949-8,51072-35-6,"3,4,5,6,7,8-hexahydro-1-[(4-methoxyphenyl)methyl]isoquinoline","1-(4-methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline",COc1ccc(CC2=NCCC3=C2CCCC3)cc1,COc1ccc(CC2=NCCC3=C2CCCC3)cc1,"InChI=1/C17H21NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9H,2-5,10-12H2,1H3",C17H21NO,,,,,,IYZRINJHKVQAQC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.757,256-951-9,51072-66-3,4-bromo-5-nitroveratrole,"1-bromo-4,5-dimethoxy-2-nitrobenzene",COc1cc(Br)c(cc1OC)[N+](=O)[O-],COc1cc(Br)c(cc1OC)[N+](=O)[O-],"InChI=1/C8H8BrNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3",C8H8BrNO4,,,,,,DGUDEQARXVYDBS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.763,256-958-7,51084-32-3,Cobalt methyl terephthalate (1:2:2),cobalt(2+) bis[4-(methoxycarbonyl)benzoate],COC(=O)c1ccc(cc1)C(=O)O[Co]OC(=O)c2ccc(cc2)C(=O)OC,COC(=O)c1ccc(cc1)C(=O)O[Co]OC(=O)c2ccc(cc2)C(=O)OC,"InChI=1/2C9H8O4.Co/c2*1-13-9(12)7-4-2-6(3-5-7)8(10)11;/h2*2-5H,1H3,(H,10,11);/q;;+2/p-2",C9H8O4.1/2Co,,,,,,IAASKLMRQLVCJR-UHFFFAOYSA-L,,,,,,,,,,,
100.051.768,256-963-4,51095-53-5,1-allyl-3-carbamoylpyridinium bromide,1-allyl-3-carbamoylpyridinium bromide,[Br-].NC(=O)c1ccc[n+](CC=C)c1,[Br-].NC(=O)c1ccc[n+](CC=C)c1,"InChI=1/C9H10N2O.BrH/c1-2-5-11-6-3-4-8(7-11)9(10)12;/h2-4,6-7H,1,5H2,(H-,10,12);1H",C9H11N2O.Br,,,,,,WMCYPCWAQAPUPW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.769,256-965-5,51097-60-0,"Oct-4-ene-1,8-dial",oct-4-enedial,O=CCCC=CCCC=O,O=CCCC=CCCC=O,"InChI=1/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h1-2,7-8H,3-6H2",C8H12O2,,,,,,IPKANKUZIOETCW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.770,256-966-0,51099-80-0,"Sodium 3-oxo-1,2-benzisothiazole-2(3H)-propanesulphonate 1,1-dioxide","sodium 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propane-1-sulfonate",[Na+].[O-]S(=O)(=O)CCCN1C(=O)c2ccccc2S1(=O)=O,[Na+].[O-]S(=O)(=O)CCCN1C(=O)c2ccccc2S1(=O)=O,"InChI=1/C10H11NO6S2.Na/c12-10-8-4-1-2-5-9(8)19(16,17)11(10)6-3-7-18(13,14)15;/h1-2,4-5H,3,6-7H2,(H,13,14,15);/q;+1/p-1",C10H11NO6S2.Na,,,,,,KQESUUZXLBJROK-UHFFFAOYSA-M,,,,,,,,,,,
100.051.774,256-970-2,51112-52-8,"9-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-valerate","2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl valerate",CCCCC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,CCCCC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,"InChI=1/C29H39FO7/c1-6-7-8-24(34)35-16-22(33)29-23(36-25(2,3)37-29)14-20-19-10-9-17-13-18(31)11-12-26(17,4)28(19,30)21(32)15-27(20,29)5/h11-13,19-21,23,32H,6-10,14-16H2,1-5H3",C29H39FO7,,,,,,JFOVIARCZOJXST-UHFFFAOYSA-N,,,,,,,,,,,
100.051.777,256-973-9,51115-64-1,2-methylbutyl butyrate,2-methylbutyl butyrate,CCCC(=O)OCC(C)CC,CCCC(=O)OCC(C)CC,"InChI=1/C9H18O2/c1-4-6-9(10)11-7-8(3)5-2/h8H,4-7H2,1-3H3",C9H18O2,,,,,,MBZKQDXXFMITAC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.778,256-974-4,51115-67-4,"2-isopropyl-N,2,3-trimethylbutyramide","2-isopropyl-N,2,3-trimethylbutanamide",CNC(=O)C(C)(C(C)C)C(C)C,CNC(=O)C(C)(C(C)C)C(C)C,"InChI=1/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)",C10H21NO,,,,,,RWAXQWRDVUOOGG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.786,256-983-3,51115-76-5,"N-(2-hydroxy-1,1-dimethylethyl)-2-isopropyl-2,3-dimethylbutyramide","N-(2-hydroxy-1,1-dimethylethyl)-2-isopropyl-2,3-dimethylbutanamide",CC(C)C(C)(C(C)C)C(=O)NC(C)(C)CO,CC(C)C(C)(C(C)C)C(=O)NC(C)(C)CO,"InChI=1/C13H27NO2/c1-9(2)13(7,10(3)4)11(16)14-12(5,6)8-15/h9-10,15H,8H2,1-7H3,(H,14,16)",C13H27NO2,,,,,,UYDUVPSGIDCZOL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.897,263-707-5,62708-52-5,"2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one, compound with zinc chloride (2:1)","zinc dichloride bis(2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one) (1:2)",[Cl-].[Cl-].[Zn+2].CN1CC(=O)N=C1N.CN2CC(=O)N=C2N,[Cl-].[Cl-].[Zn+2].CN1CC(=O)N=C1N.CN2CC(=O)N=C2N,"InChI=1/2C4H7N3O.2ClH.Zn/c2*1-7-2-3(8)6-4(7)5;;;/h2*2H2,1H3,(H2,5,6,8);2*1H;/q;;;;+2/p-2",C4H7N3O.1/2Cl2Zn,,,,,,SDBNHMFCQJHUNL-UHFFFAOYSA-L,,,,,,,,,,,
100.057.903,263-713-8,62749-11-5,"2-aminononane-1,9-dioic acid hydrochloride",2-aminononanedioic acid hydrochloride,Cl.NC(CCCCCCC(=O)O)C(=O)O,Cl.NC(CCCCCCC(=O)O)C(=O)O,"InChI=1/C9H17NO4.ClH/c10-7(9(13)14)5-3-1-2-4-6-8(11)12;/h7H,1-6,10H2,(H,11,12)(H,13,14);1H",C9H17NO4.ClH,,,,,,HTKYUXXLOJAMET-UHFFFAOYSA-N,,,,,,,,,,,
100.057.905,263-715-9,62755-61-7,1-(4-phenoxyphenyl)piperazine,1-(4-phenoxyphenyl)piperazine,C1CN(CCN1)c2ccc(Oc3ccccc3)cc2,C1CN(CCN1)c2ccc(Oc3ccccc3)cc2,"InChI=1/C16H18N2O/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2",C16H18N2O,,,,,,CEDIEUVYUSGIDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.908,263-719-0,62758-15-0,"1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, monosodium salt, compd. with sodium 4-[[4-(dimethylamino)phenyl]azo]benzenesulfonate (1:1)","1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, monosodium salt, compd. with sodium 4-[[4-(dimethylamino)phenyl]azo]benzenesulfonate (1:1)",[Na+].[Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc(c(c1)S(O)(=O)=O)C(c2ccc(NCC)c(C)c2)=C/3/C=C\\C(=NCC)C(\\C)=C\\3,[Na+].[Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc(c(c1)S(O)(=O)=O)C(c2ccc(NCC)c(C)c2)=C/3/C=C\C(=NCC)C(\C)=C\3,"InChI=1/C25H28N2O6S2.C14H15N3O3S.2Na/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33;1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;;/h7-15,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);3-10H,1-2H3,(H,18,19,20);;/q;;2*+1/p-2",C25H28N2O6S2.C14H15N3O3S.2Na,,,,,,QZATZDKHJDOZFD-UHFFFAOYSA-L,,,,,,,,,,,
100.057.909,263-720-6,62763-70-6,Bis[tris(2-hydroxyethyl)ammonium] tetradecyl phosphate,"bis[2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium] tetradecyl phosphate",CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO,"InChI=1/C14H31O4P.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*8-4-1-7(2-5-9)3-6-10/h2-14H2,1H3,(H2,15,16,17);2*8-10H,1-6H2",C14H31O4P.2C6H15NO3,,,,,,NWLRZIJCJXANSV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.912,263-723-2,62778-12-5,Bis[(p-aminophenyl)dimethylammonium] oxalate,"bis(4-amino-N,N-dimethylanilinium) oxalate",C[NH+](C)c1ccc(N)cc1.C[NH+](C)c2ccc(N)cc2.[O-]C(=O)C(=O)[O-],C[NH+](C)c1ccc(N)cc1.C[NH+](C)c2ccc(N)cc2.[O-]C(=O)C(=O)[O-],"InChI=1/2C8H12N2.C2H2O4/c2*1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h2*3-6H,9H2,1-2H3;(H,3,4)(H,5,6)",C8H12N2.1/2C2H2O4,,,,,,MNUINXKPLPIOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.916,263-727-4,62780-73-8,3-[(2-amino-4-chlorophenyl)amino]propan-1-ol,3-[(2-amino-4-chlorophenyl)amino]propan-1-ol,Nc1cc(Cl)ccc1NCCCO,Nc1cc(Cl)ccc1NCCCO,"InChI=1/C9H13ClN2O/c10-7-2-3-9(8(11)6-7)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2",C9H13ClN2O,,,,,,CVMASFUKIRVFIM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.918,263-730-0,62780-84-1,"1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one","1-(3-chloropropyl)-3-isopropenyl-1,3-dihydro-2H-benzimidazol-2-one",CC(=C)N1C(=O)N(CCCCl)c2ccccc12,CC(=C)N1C(=O)N(CCCCl)c2ccccc12,"InChI=1/C13H15ClN2O/c1-10(2)16-12-7-4-3-6-11(12)15(13(16)17)9-5-8-14/h3-4,6-7H,1,5,8-9H2,2H3",C13H15ClN2O,,,,,,MKZOYCWVYJRSAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.921,263-733-7,62796-27-4,Disodium 4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl phosphate,"disodium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate",[Na+].[Na+].CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)([O-])[O-])cc4C,[Na+].[Na+].CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)([O-])[O-])cc4C,"InChI=1/C28H31O7P.2Na/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;;/h7-16,29H,1-6H3,(H2,31,32,33);;/q;2*+1/p-2",C28H31O7P.2Na,,,,,,SQUIXVJVXGLUIW-UHFFFAOYSA-L,,,,,,,,,,,
100.057.922,263-734-2,62796-28-5,"p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-ethylpropane-1,3-diol (1:2)","4-nitrophenyl dihydrogen phosphate - 2-amino-2-ethylpropane-1,3-diol (1:2)",CCC(N)(CO)CO.CCC(N)(CO)CO.OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-],CCC(N)(CO)CO.CCC(N)(CO)CO.OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H6NO6P.2C5H13NO2/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*1-2-5(6,3-7)4-8/h1-4H,(H2,10,11,12);2*7-8H,2-4,6H2,1H3",C6H6NO6P.2C5H13NO2,,,,,,YVXXRFJXBIWXFT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.925,263-737-9,62819-95-8,ß-methoxy-2-nitrophenetole,1-(2-methoxyethoxy)-2-nitrobenzene,COCCOc1ccccc1[N+](=O)[O-],COCCOc1ccccc1[N+](=O)[O-],"InChI=1/C9H11NO4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3",C9H11NO4,,,,,,DJTJGNJDSIOAOS-UHFFFAOYSA-N,,,,,,,,,,,
100.057.927,263-740-5,62851-43-8,Zidometacin,[1-(4-azidobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(cc3)N=[N+]=[N-],COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(cc3)N=[N+]=[N-],"InChI=1/C19H16N4O4/c1-11-15(10-18(24)25)16-9-14(27-2)7-8-17(16)23(11)19(26)12-3-5-13(6-4-12)21-22-20/h3-9H,10H2,1-2H3,(H,24,25)",C19H16N4O4,,,,,,DCXHLPGLBYHNMU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.493,253-359-2,37138-25-3,"Tetrasodium 4,4'-bis[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(Nc2nc(Cl)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n2)c1,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(Nc2nc(Cl)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n2)c1,"InChI=1/C32H24Cl2N10O12S4.4Na/c33-27-39-29(35-19-3-1-5-23(13-19)57(45,46)47)43-31(41-27)37-21-11-9-17(25(15-21)59(51,52)53)7-8-18-10-12-22(16-26(18)60(54,55)56)38-32-42-28(34)40-30(44-32)36-20-4-2-6-24(14-20)58(48,49)50;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;;;/q;4*+1/p-4",C32H24Cl2N10O12S4.4Na,,,,,,ALIFOMCVJCSNSI-YZNHWISSSA-J,,,,,,,,,,,
100.048.495,253-361-3,37139-42-7,"5,6-dihydro-4,4-dimethyl-2-vinyl-4H-1,3-oxazine","4,4-dimethyl-2-vinyl-5,6-dihydro-4H-1,3-oxazine",CC1(C)CCOC(=N1)C=C,CC1(C)CCOC(=N1)C=C,"InChI=1/C8H13NO/c1-4-7-9-8(2,3)5-6-10-7/h4H,1,5-6H2,2-3H3",C8H13NO,,,,,,WFBZXEPSOKWDHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.496,253-362-9,37139-85-8,Isobutyl cyclohexanecarboxylate,isobutyl cyclohexanecarboxylate,CC(C)COC(=O)C1CCCCC1,CC(C)COC(=O)C1CCCCC1,"InChI=1/C11H20O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,HTOQALXUSKONGW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.497,253-363-4,37139-99-4,Benzyldimethyloleylammonium chloride,"N-benzyl-N,N-dimethyloctadec-9-en-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C27H48N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h11-12,19-21,23-24H,4-10,13-18,22,25-26H2,1-3H3;1H/q+1;/p-1",C27H48N.Cl,,,,,,RWUKNUAHIRIZJG-AFEZEDKISA-M,,,,,,,,,,,
100.050.000,255-018-3,40642-38-4,(Z)-dodec-5-enol,dodec-5-en-1-ol,CCCCCC\\C=C/CCCCO,CCCCCC\C=C/CCCCO,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,13H,2-6,9-12H2,1H3",C12H24O,,,,,,OTJWLIMIKGBSSN-FPLPWBNLSA-N,,,,,,,,,,,
100.050.002,255-020-4,40649-56-7,"3-amino-2,6-dimethylcyclohex-2-en-1-one","3-amino-2,6-dimethylcyclohex-2-en-1-one",CC1CCC(=C(C)C1=O)N,CC1CCC(=C(C)C1=O)N,"InChI=1/C8H13NO/c1-5-3-4-7(9)6(2)8(5)10/h5H,3-4,9H2,1-2H3",C8H13NO,,,,,,WQGRVQYVOJPBIL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.003,255-022-5,40654-82-8,2-methyl-4-phenylbutyraldehyde,2-methyl-4-phenylbutanal,CC(CCc1ccccc1)C=O,CC(CCc1ccccc1)C=O,"InChI=1/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3",C11H14O,,,,,,RLFLIPVJQTWXKR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.008,255-027-2,40663-68-1,p-(allyloxy)benzaldehyde,4-(allyloxy)benzaldehyde,C=CCOc1ccc(C=O)cc1,C=CCOc1ccc(C=O)cc1,"InChI=1/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2",C10H10O2,,,,,,TYNJQOJWNMZQFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.012,255-031-4,40675-60-3,4-methylpiperazin-1-ylamine dihydrochloride hydrate,4-methylpiperazin-1-amine dihydrochloride hydrate,O.Cl.Cl.CN1CCN(N)CC1,O.Cl.Cl.CN1CCN(N)CC1,"InChI=1/C5H13N3.2ClH.H2O/c1-7-2-4-8(6)5-3-7;;;/h2-6H2,1H3;2*1H;1H2",C5H13N3.2ClH,,,,,,UPJWXQREHFVMHA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.015,255-035-6,40680-87-3,Piprofurol,"4-{3-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-hydroxypropyl}phenol",COc1c(OCCN2CCCCC2)c(C(O)CCc3ccc(O)cc3)c(OC)c4ccoc14,COc1c(OCCN2CCCCC2)c(C(O)CCc3ccc(O)cc3)c(OC)c4ccoc14,"InChI=1/C26H33NO6/c1-30-23-20-12-16-32-24(20)26(31-2)25(33-17-15-27-13-4-3-5-14-27)22(23)21(29)11-8-18-6-9-19(28)10-7-18/h6-7,9-10,12,16,21,28-29H,3-5,8,11,13-15,17H2,1-2H3",C26H33NO6,,,,,,LIAPJIQUUKLLDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.016,255-036-1,40690-88-8,3-[4-(diethylamino)-2-hydroxyphenyl]-3-[2-methoxy-4-methyl-5-(phenylamino)phenyl]phthalide,3-(5-anilino-2-methoxy-4-methylphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-benzofuran-1(3H)-one,CCN(CC)c1ccc(c(O)c1)C2(OC(=O)c3ccccc23)c4cc(Nc5ccccc5)c(C)cc4OC,CCN(CC)c1ccc(c(O)c1)C2(OC(=O)c3ccccc23)c4cc(Nc5ccccc5)c(C)cc4OC,"InChI=1/C32H32N2O4/c1-5-34(6-2)23-16-17-26(29(35)19-23)32(25-15-11-10-14-24(25)31(36)38-32)27-20-28(21(3)18-30(27)37-4)33-22-12-8-7-9-13-22/h7-20,33,35H,5-6H2,1-4H3",C32H32N2O4,,,,,,ZTOJCCDXCBKTSX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.017,255-037-7,40690-89-9,2-[-N-(2-cyanoethyl)-4-[(p-nitrophenyl)azo]anilino]ethyl benzoate,2-[(2-cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl benzoate,O=C(OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2)N(=O)=O)c3ccccc3,O=C(OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2)N(=O)=O)c3ccccc3,"InChI=1/C24H21N5O4/c25-15-4-16-28(17-18-33-24(30)19-5-2-1-3-6-19)22-11-7-20(8-12-22)26-27-21-9-13-23(14-10-21)29(31)32/h1-3,5-14H,4,16-18H2",C24H21N5O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18570,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.017,SCLYXZFZPIKFAH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.840,257-043-5,51192-49-5,"17,21-dihydroxypregna-1,4-diene-3,11,20-trione 21-pivalate","17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl pivalate",CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C26H34O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-18,21,31H,6-7,9,11,13-14H2,1-5H3",C26H34O6,,,,,,FGBTZHGXCKUNFT-MOAAPXTLSA-N,,,,,,,,,,,
100.051.843,257-046-1,51196-72-6,Disodium (dodecylphenoxy)benzenedisulphonate,"disodium 3-(2-dodecylphenoxy)benzene-1,2-disulfonate",[Na+].[Na+].CCCCCCCCCCCCc1ccccc1Oc2cccc(c2S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCc1ccccc1Oc2cccc(c2S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C24H34O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-12-13-17-21(20)31-22-18-14-19-23(32(25,26)27)24(22)33(28,29)30;;/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C24H34O7S2.2Na,,,,,,XDVCWEGZPJGEDB-UHFFFAOYSA-L,,,,,,,,,,,
100.048.744,253-637-3,37715-31-4,"5-(3,3-dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate","5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl acetate",CC(=O)OCC=C(C)CCC1OC1(C)C,CC(=O)OCC=C(C)CCC1OC1(C)C,"InChI=1/C12H20O3/c1-9(7-8-14-10(2)13)5-6-11-12(3,4)15-11/h7,11H,5-6,8H2,1-4H3",C12H20O3,,,,,,ICJOOVLSDYCSCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.746,253-639-4,37717-68-3,N-[2-[ethyl(m-toluidino)]ethyl]methanesulphonamide,N-{2-[ethyl(3-methylphenyl)amino]ethyl}methanesulfonamide,CCN(CCNS(=O)(=O)C)c1cccc(C)c1,CCN(CCNS(=O)(=O)C)c1cccc(C)c1,"InChI=1/C12H20N2O2S/c1-4-14(9-8-13-17(3,15)16)12-7-5-6-11(2)10-12/h5-7,10,13H,4,8-9H2,1-3H3",C12H20N2O2S,,,,,,REBPIUGTTRIAEO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.255,255-299-2,41295-23-2,2-ethyl-N-methyl-N-phenylbutyramide,2-ethyl-N-methyl-N-phenylbutanamide,CCC(CC)C(=O)N(C)c1ccccc1,CCC(CC)C(=O)N(C)c1ccccc1,"InChI=1/C13H19NO/c1-4-11(5-2)13(15)14(3)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3",C13H19NO,,,,,,SNZCLMYJDVUZEU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.261,255-305-3,41302-05-0,2-(4-chlorobutoxy)tetrahydro-2H-pyran,2-(4-chlorobutoxy)tetrahydro-2H-pyran,ClCCCCOC1CCCCO1,ClCCCCOC1CCCCO1,"InChI=1/C9H17ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2",C9H17ClO2,,,,,,SZZINZURZKQZLG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.263,255-307-4,41312-26-9,Dihydroxyaluminium salicylate,dihydroxyaluminum(1+) salicylate,O[Al+]O.Oc1ccccc1C(=O)[O-],O[Al+]O.Oc1ccccc1C(=O)[O-],"InChI=1/C7H6O3.Al.2H2O/c8-6-4-2-1-3-5(6)7(9)10;;;/h1-4,8H,(H,9,10);;2*1H2/q;+3;;/p-3/rC7H6O3.AlH2O2/c8-6-4-2-1-3-5(6)7(9)10;2-1-3/h1-4,8H,(H,9,10);2-3H/q;+1/p-1",C7H7AlO5,,,,,,REXUFGONOCXWFJ-UHFFFAOYSA-K,,,,,,,,,,,
100.050.269,255-314-2,41324-66-7,Benzyl L-prolinate,benzyl L-prolinate,O=C(OCc1ccccc1)[C@@H]2CCCN2,O=C(OCc1ccccc1)[C@@H]2CCCN2,"InChI=1/C12H15NO2/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2",C12H15NO2,,,,,,VVCLBQFBKZQOAF-NSHDSACASA-N,,,,,,,,,,,
100.050.271,255-316-3,41329-01-5,Cholest-5-en-3ß-yl 2-ethylhexanoate,cholest-5-en-3-yl 2-ethylhexanoate,CCCCC(CC)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCC(CC)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C35H60O2/c1-8-10-14-26(9-2)33(36)37-28-19-21-34(6)27(23-28)15-16-29-31-18-17-30(25(5)13-11-12-24(3)4)35(31,7)22-20-32(29)34/h15,24-26,28-32H,8-14,16-23H2,1-7H3",C35H60O2,,,,,,MOWZDRPKXFFKDM-MTYNKIQNSA-N,,,,,,,,,,,
100.050.273,255-318-4,41333-49-7,"2,5-dimethoxy-4-(morpholin-4-yl)benzenediazonium hexafluorophosphate","2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium hexafluorophosphate",COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.F[P-](F)(F)(F)(F)F,COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C12H16N3O3.F6P/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;1-7(2,3,4,5)6/h7-8H,3-6H2,1-2H3;/q+1;-1",C12H16N3O3.F6P,,,,,,DPXQYHYTXQUDIW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.275,255-321-0,41335-32-4,1-naphthyl ß-D-galactopyranoside,1-naphthyl beta-D-galactopyranoside,OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2",C16H18O6,,,,,,CVAOQMBKGUKOIZ-LYYZXLFJSA-N,,,,,,,,,,,
100.050.278,255-324-7,41340-39-0,Impacarzine,"N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide",CCCCCCCCCCCCCCN1CCN(CCN2CCN(CC2)C(=O)N(CC)CC)C1=O,CCCCCCCCCCCCCCN1CCN(CCN2CCN(CC2)C(=O)N(CC)CC)C1=O,"InChI=1/C28H55N5O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-25-26-33(28(31)35)24-21-29-19-22-32(23-20-29)27(34)30(5-2)6-3/h4-26H2,1-3H3",C28H55N5O2,,,,,,OQXWEZVLEIJVSI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.280,255-326-8,41344-25-6,"1,1'-[methylenebis(oxy)]bisoctadecane","1,1'-[methylenebis(oxy)]dioctadecane",CCCCCCCCCCCCCCCCCCOCOCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOCOCCCCCCCCCCCCCCCCCC,"InChI=1/C37H76O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3",C37H76O2,,,,,,WXZWIPLBXXXGGI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.048,257-272-0,51549-54-3,N-benzoyl-2'-deoxyadenosine 3'-benzoate,N-benzoyl-3'-O-benzoyl-2'-deoxyadenosine,OC[C@H]1O[C@H](C[C@@H]1OC(=O)c2ccccc2)n3cnc4c(NC(=O)c5ccccc5)ncnc34,OC[C@H]1O[C@H](C[C@@H]1OC(=O)c2ccccc2)n3cnc4c(NC(=O)c5ccccc5)ncnc34,"InChI=1/C24H21N5O5/c30-12-18-17(34-24(32)16-9-5-2-6-10-16)11-19(33-18)29-14-27-20-21(25-13-26-22(20)29)28-23(31)15-7-3-1-4-8-15/h1-10,13-14,17-19,30H,11-12H2,(H,25,26,28,31)",C24H21N5O5,,,,,,GRASBJRYLQJMMU-IPMKNSEASA-N,,,,,,,,,,,
100.052.050,257-274-1,51550-40-4,"N-(2,4-dimethylphenyl)-N'-methylformamidine monohydrochloride","N-(2,4-dimethylphenyl)-N'-methylimidoformamide hydrochloride",Cl.Cc1ccc(NC=NC)c(C)c1,Cl.Cc1ccc(NC=NC)c(C)c1,"InChI=1/C10H14N2.ClH/c1-8-4-5-10(9(2)6-8)12-7-11-3;/h4-7H,1-3H3,(H,11,12);1H",C10H14N2.ClH,,,,,,VXSNJXDZTGFDMB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.053,257-277-8,51550-64-2,"Isobutyl 4-(2,4-dichlorophenoxy)butyrate","isobutyl 4-(2,4-dichlorophenoxy)butanoate",CC(C)COC(=O)CCCOc1ccc(Cl)cc1Cl,CC(C)COC(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C14H18Cl2O3/c1-10(2)9-19-14(17)4-3-7-18-13-6-5-11(15)8-12(13)16/h5-6,8,10H,3-4,7,9H2,1-2H3",C14H18Cl2O3,,,,,,ASZGOMRWZJMION-UHFFFAOYSA-N,,,,,,,,,,,
100.051.788,256-985-4,51115-79-8,N-ethyl-2-isopropyl-2-methylhexanamide,N-ethyl-2-isopropyl-2-methylhexanamide,CCCCC(C)(C(C)C)C(=O)NCC,CCCCC(C)(C(C)C)C(=O)NCC,"InChI=1/C12H25NO/c1-6-8-9-12(5,10(3)4)11(14)13-7-2/h10H,6-9H2,1-5H3,(H,13,14)",C12H25NO,,,,,,NBESHLYYMHCQHT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.805,259-206-6,54540-58-8,1-(4-chlorobutyl)-4-fluorobenzene,1-(4-chlorobutyl)-4-fluorobenzene,Fc1ccc(CCCCCl)cc1,Fc1ccc(CCCCCl)cc1,"InChI=1/C10H12ClF/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-7H,1-3,8H2",C10H12ClF,,,,,,QMDPGDCZIVOKNA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.810,259-211-3,54546-51-9,"2,3-dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide","3-methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide",CC1CP(=O)(C=C1)c2ccccc2,CC1CP(=O)(C=C1)c2ccccc2,"InChI=1/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3",C11H13OP,,,,,,HAXGJIFBSLNBTA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.812,259-213-4,54547-81-8,"1-(7-hexyl-9,10-dihydro-2-phenanthryl)octan-1-one","1-(7-hexyl-9,10-dihydrophenanthren-2-yl)octan-1-one",CCCCCCCC(=O)c1ccc2c(CCc3cc(CCCCCC)ccc23)c1,CCCCCCCC(=O)c1ccc2c(CCc3cc(CCCCCC)ccc23)c1,"InChI=1/C28H38O/c1-3-5-7-9-11-13-28(29)25-17-19-27-24(21-25)16-15-23-20-22(14-18-26(23)27)12-10-8-6-4-2/h14,17-21H,3-13,15-16H2,1-2H3",C28H38O,,,,,,REINEERFPNVNMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.815,259-217-6,54549-24-5,Hexyl D-glucoside,hexyl hexopyranoside,CCCCCCOC1OC(CO)C(O)C(O)C1O,CCCCCCOC1OC(CO)C(O)C(O)C1O,"InChI=1/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3",C12H24O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12405,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.815,JVAZJLFFSJARQM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.821,259-223-9,54553-88-7,"Benzene-1,2,4-tricarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:2)","benzene-1,2,4-tricarboxylic acid - 2-phenyl-4,5-dihydro-1H-imidazole (1:2)",OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.C2CN=C(N2)c3ccccc3.C4CN=C(N4)c5ccccc5,OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.C2CN=C(N2)c3ccccc3.C4CN=C(N4)c5ccccc5,"InChI=1/2C9H10N2.C9H6O6/c2*1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h2*1-5H,6-7H2,(H,10,11);1-3H,(H,10,11)(H,12,13)(H,14,15)",C9H10N2.1/2C9H6O6,,,,,,GNDKIGLSJDLPLO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.825,259-228-6,54554-39-1,2-[[[(3-isocyanatomethylphenyl)amino]carbonyl]oxy]ethyl acrylate,2-({[3-(isocyanatomethyl)phenyl]carbamoyl}oxy)ethyl acrylate,C=CC(=O)OCCOC(=O)Nc1cccc(CN=C=O)c1,C=CC(=O)OCCOC(=O)Nc1cccc(CN=C=O)c1,"InChI=1/C14H14N2O5/c1-2-13(18)20-6-7-21-14(19)16-12-5-3-4-11(8-12)9-15-10-17/h2-5,8H,1,6-7,9H2,(H,16,19)",C14H14N2O5,,,,,,BGJFAGLDVUUDFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.827,259-230-7,54561-97-6,N-(1-isopropyl-2-methylpropyl)diisobutylamine,"N,N-diisobutyl-2,4-dimethylpentan-3-amine",CC(C)CN(CC(C)C)C(C(C)C)C(C)C,CC(C)CN(CC(C)C)C(C(C)C)C(C)C,"InChI=1/C15H33N/c1-11(2)9-16(10-12(3)4)15(13(5)6)14(7)8/h11-15H,9-10H2,1-8H3",C15H33N,,,,,,PGAQYUJUOZNEOE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.831,259-234-9,54571-67-4,Sodium 5-oxo-DL-prolinate,sodium 5-oxopyrrolidine-2-carboxylate,[Na+].[O-]C(=O)[C@@H]1CCC(=O)N1,[Na+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.Na,,,,,,CRPCXAMJWCDHFM-DFWYDOINSA-M,,,,,,,,,,,
100.053.836,259-240-1,54575-17-6,"Isooctyl [(2,3-dihydroxypropyl)thio]acetate","6-methylheptyl [(2,3-dihydroxypropyl)sulfanyl]acetate",CC(C)CCCCCOC(=O)CSCC(O)CO,CC(C)CCCCCOC(=O)CSCC(O)CO,"InChI=1/C13H26O4S/c1-11(2)6-4-3-5-7-17-13(16)10-18-9-12(15)8-14/h11-12,14-15H,3-10H2,1-2H3",C13H26O4S,,,,,,SHQAGQOCMDSNQH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.840,259-244-3,54581-55-4,"2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bisethanol","2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]diethanol",OCCNc1nc(Cl)nc(NCCO)n1,OCCNc1nc(Cl)nc(NCCO)n1,"InChI=1/C7H12ClN5O2/c8-5-11-6(9-1-3-14)13-7(12-5)10-2-4-15/h14-15H,1-4H2,(H2,9,10,11,12,13)",C7H12ClN5O2,,,,,,XWGOYJWQFZCFNN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.846,259-251-1,54596-69-9,2-hexylaminoethanol,2-(hexylamino)ethanol,CCCCCCNCCO,CCCCCCNCCO,"InChI=1/C8H19NO/c1-2-3-4-5-6-9-7-8-10/h9-10H,2-8H2,1H3",C8H19NO,,,,,,MCIKGVLBLIZYRY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.849,259-254-8,54614-69-6,Sodium 4-(4-hydroxyphenyl)phenolate,sodium 4'-hydroxybiphenyl-4-olate,[Na+].Oc1ccc(cc1)c2ccc([O-])cc2,[Na+].Oc1ccc(cc1)c2ccc([O-])cc2,"InChI=1/C12H10O2.Na/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h1-8,13-14H;/q;+1/p-1",C12H10O2.Na,,,,,,XPFZNHSLPJKFAS-UHFFFAOYSA-M,,,,,,,,,,,
100.053.850,259-255-3,54617-20-8,"Hexane-1,6-diamine acetate","hexane-1,6-diamine acetate",CC(=O)O.NCCCCCCN,CC(=O)O.NCCCCCCN,"InChI=1/C6H16N2.C2H4O2/c7-5-3-1-2-4-6-8;1-2(3)4/h1-8H2;1H3,(H,3,4)",C6H16N2.xC2H4O2,,,,,,HSKTULZIVGWQHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.535,255-608-0,41989-03-1,L-arginine malate,L-arginine - 2-hydroxysuccinic acid (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.OC(CC(=O)O)C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.OC(CC(=O)O)C(=O)O,"InChI=1/C6H14N4O2.C4H6O5/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2,5H,1H2,(H,6,7)(H,8,9)",C6H14N4O2.xC4H6O5,,,,,,RUFJTBOKWJYXPM-WCCKRBBISA-N,,,,,,,,,,,
100.050.536,255-609-6,41989-08-6,Potassium octyl hydrogen phosphate,potassium octyl hydrogen phosphate,[K+].OP([O-])(=O)OCCCCCCCC,[K+].OP([O-])(=O)OCCCCCCCC,"InChI=1/C8H19O4P.K/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H2,9,10,11);/q;+1/p-1",C8H19O4P.K,,,,,,VMUBRIXOHLRVGV-UHFFFAOYSA-M,,,,,,,,,,,
100.057.928,263-741-0,62851-70-1,"3,6-dimethyloct-6-en-4-yn-3-ol","3,6-dimethyloct-6-en-4-yn-3-ol",CC(O)(C#CC(C)=CC)CC,CC(O)(C#CC(C)=CC)CC,"InChI=1/C10H16O/c1-5-9(3)7-8-10(4,11)6-2/h5,11H,6H2,1-4H3",C10H16O,,,,,,XYRKRLCDCBKVGW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.934,263-747-3,62882-00-2,8-methylisoquinoline,8-methylisoquinoline,Cc1cccc2ccncc12,Cc1cccc2ccncc12,"InChI=1/C10H9N/c1-8-3-2-4-9-5-6-11-7-10(8)9/h2-7H,1H3",C10H9N,,,,,,IEZFKBBOGATCFW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.321,265-273-2,64918-94-1,"Diphosphoric acid, compound with 2-aminoethanol (1:4)",diphosphoric acid - 2-aminoethanol (1:4),NCCO.NCCO.NCCO.NCCO.OP(=O)(O)OP(=O)(O)O,NCCO.NCCO.NCCO.NCCO.OP(=O)(O)OP(=O)(O)O,"InChI=1/4C2H7NO.H4O7P2/c4*3-1-2-4;1-8(2,3)7-9(4,5)6/h4*4H,1-3H2;(H2,1,2,3)(H2,4,5,6)",C2H7NO.1/4H4O7P2,,,,,,IQDKNPVDFVTIOC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.322,265-274-8,64919-33-1,4-[(4-amino-m-tolyl)(isopropyl)amino]butane-1-sulphonic acid,4-[(4-amino-3-methylphenyl)(isopropyl)amino]butane-1-sulfonic acid,CC(C)N(CCCCS(=O)(=O)O)c1ccc(N)c(C)c1,CC(C)N(CCCCS(=O)(=O)O)c1ccc(N)c(C)c1,"InChI=1/C14H24N2O3S/c1-11(2)16(8-4-5-9-20(17,18)19)13-6-7-14(15)12(3)10-13/h6-7,10-11H,4-5,8-9,15H2,1-3H3,(H,17,18,19)",C14H24N2O3S,,,,,,HZRWZAHROYMMFW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.332,265-285-8,64935-37-1,(E)-2-propylhept-2-enal,2-propylhept-2-enal,CCCC\\C=C(/CCC)\\C=O,CCCC\C=C(/CCC)\C=O,"InChI=1/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3",C10H18O,,,,,,GADNZGQWPNTMCH-CSKARUKUSA-N,,,,,,,,,,,
100.059.333,265-286-3,64942-50-3,1-ethyl L-2-aminoglutarate hydrochloride,-,Cl.CCOC(=O)C(N)CCC(=O)[O-],Cl.CCOC(=O)C(N)CCC(=O)[O-],"InChI=1/C7H13NO4.ClH/c1-2-12-7(11)5(8)3-4-6(9)10;/h5H,2-4,8H2,1H3,(H,9,10);1H/p-1",C7H13NO4.ClH,,,,,,LPZDSTWSQMZTOR-UHFFFAOYSA-M,,,,,,,,,,,
100.059.336,265-290-5,64957-95-5,Sodium (Z)-5-methoxy-2-[(1-oxooctadec-9-enyl)amino]benzenesulphonate,sodium 5-methoxy-2-(oleoylamino)benzenesulfonate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)Nc1ccc(OC)cc1S(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccc(OC)cc1S(=O)(=O)[O-],"InChI=1/C25H41NO5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)26-23-20-19-22(31-2)21-24(23)32(28,29)30;/h10-11,19-21H,3-9,12-18H2,1-2H3,(H,26,27)(H,28,29,30);/q;+1/p-1",C25H41NO5S.Na,,,,,,YXCYPUZLXBBLLT-GMFCBQQYSA-M,,,,,,,,,,,
100.059.344,265-298-9,64985-85-9,"(2,5-dichlorophenyl)oxoacetonitrile","(2,5-dichlorophenyl)(oxo)acetonitrile",Clc1ccc(Cl)c(c1)C(=O)C#N,Clc1ccc(Cl)c(c1)C(=O)C#N,InChI=1/C8H3Cl2NO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3H,C8H3Cl2NO,,,,,,OCMOGGGMWSRSAG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.350,265-305-5,65000-34-2,"6,6'-[carbonylbis[imino(1-hydroxynaphthalene-2,6-diyl)azo]]bisnaphthalene-2-sulphonic acid",6-({5-hydroxy-6-[({1-hydroxy-6-[(6-sulfo-2-naphthyl)diazenyl]-2-naphthyl}carbamoyl)amino]-2-naphthyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc2cc(ccc2c1)N=Nc7cc8ccc(NC(=O)Nc4ccc3cc(ccc3c4O)N=Nc5cc6ccc(cc6cc5)S(O)(=O)=O)c(O)c8cc7,OS(=O)(=O)c1ccc2cc(ccc2c1)N=Nc7cc8ccc(NC(=O)Nc4ccc3cc(ccc3c4O)N=Nc5cc6ccc(cc6cc5)S(O)(=O)=O)c(O)c8cc7,"InChI=1/C41H28N6O9S2/c48-39-35-13-9-31(46-44-29-7-1-25-21-33(57(51,52)53)11-3-23(25)17-29)19-27(35)5-15-37(39)42-41(50)43-38-16-6-28-20-32(10-14-36(28)40(38)49)47-45-30-8-2-26-22-34(58(54,55)56)12-4-24(26)18-30/h1-22,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)",C41H28N6O9S2,,,,,,RJBIQJBZJURBPV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.352,265-307-6,65009-35-0,"1-(2,6-dimethylphenyl)-3-[imino(methylamino)methyl]uronium chloride","N-[hydroxy(methylcarbamimidamido)methylene]-2,6-dimethylanilinium chloride",[Cl-].CNC(=N)NC(=[NH+]c1c(C)cccc1C)O,[Cl-].CNC(=N)NC(=[NH+]c1c(C)cccc1C)O,"InChI=1/C11H16N4O.ClH/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3;/h4-6H,1-3H3,(H4,12,13,14,15,16);1H",C11H16N4O.ClH,,,,,,INMBONSHXVMDSX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.353,265-308-1,65009-95-2,Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate,1-(methoxymethylene)azepanium methyl sulfate,COC=[N+]1CCCCCC1.COS(=O)(=O)[O-],COC=[N+]1CCCCCC1.COS(=O)(=O)[O-],"InChI=1/C8H16NO.CH4O4S/c1-10-8-9-6-4-2-3-5-7-9;1-5-6(2,3)4/h8H,2-7H2,1H3;1H3,(H,2,3,4)/q+1;/p-1",C8H16NO.CH3O4S,,,,,,IQDUDIDNTYCONL-UHFFFAOYSA-M,,,,,,,,,,,
100.059.357,265-312-3,65021-26-3,"7-chloro-3,3-dimethylindan-5-ol","7-chloro-3,3-dimethylindan-5-ol",CC1(C)CCc2c(Cl)cc(O)cc12,CC1(C)CCc2c(Cl)cc(O)cc12,"InChI=1/C11H13ClO/c1-11(2)4-3-8-9(11)5-7(13)6-10(8)12/h5-6,13H,3-4H2,1-2H3",C11H13ClO,,,,,,XDXVRAOZMUSNFK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.358,265-313-9,65021-27-4,"3,3,7-trimethylindan-5-ol","3,3,7-trimethylindan-5-ol",Cc1cc(O)cc2c1CCC2(C)C,Cc1cc(O)cc2c1CCC2(C)C,"InChI=1/C12H16O/c1-8-6-9(13)7-11-10(8)4-5-12(11,2)3/h6-7,13H,4-5H2,1-3H3",C12H16O,,,,,,QCHYMSYGCBJIQS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.363,265-319-1,65036-66-0,"4-chloro-3-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-chloro-3-{4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",CN(C)c1ccc(cc1)C=C3C(\\C)=N/N(c2cc(ccc2Cl)S(O)(=O)=O)C3=O,CN(C)c1ccc(cc1)C=C3C(\C)=N/N(c2cc(ccc2Cl)S(O)(=O)=O)C3=O,"InChI=1/C19H18ClN3O4S/c1-12-16(10-13-4-6-14(7-5-13)22(2)3)19(24)23(21-12)18-11-15(28(25,26)27)8-9-17(18)20/h4-11H,1-3H3,(H,25,26,27)",C19H18ClN3O4S,,,,,,CJLLDOWWBVHSAO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.848,257-051-9,51200-95-4,N-ethyl-1-isopropylcyclohexanecarboxamide,N-ethyl-1-isopropylcyclohexanecarboxamide,CCNC(=O)C1(CCCCC1)C(C)C,CCNC(=O)C1(CCCCC1)C(C)C,"InChI=1/C12H23NO/c1-4-13-11(14)12(10(2)3)8-6-5-7-9-12/h10H,4-9H2,1-3H3,(H,13,14)",C12H23NO,,,,,,GQFRNZVKWUZJJY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.849,257-052-4,51200-96-5,"N-(2-hydroxy-1,1-dimethylethyl)-1-(isopropyl)-2-methylcyclohexanecarboxamide","N-(2-hydroxy-1,1-dimethylethyl)-1-isopropyl-2-methylcyclohexanecarboxamide",CC(C)C1(CCCCC1C)C(=O)NC(C)(C)CO,CC(C)C1(CCCCC1C)C(=O)NC(C)(C)CO,"InChI=1/C15H29NO2/c1-11(2)15(9-7-6-8-12(15)3)13(18)16-14(4,5)10-17/h11-12,17H,6-10H2,1-5H3,(H,16,18)",C16H31NO2,,,,,,QMJDIAQPRSFILF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.856,257-060-8,51218-45-2,2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide,2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide,CCc1cccc(C)c1N(C(C)COC)C(=O)CCl,CCc1cccc(C)c1N(C(C)COC)C(=O)CCl,"InChI=1/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3",C15H22ClNO2,,,,,,WVQBLGZPHOPPFO-UHFFFAOYSA-N,Positive,AU355601|AU355602|AU355603|AU355604|AU355605;SM841801;EA026801|EA026802|EA026803|EA026804|EA026805|EA026806|EA026807|EA026808|EA026809|EA026810|EA026811|EA026812|EA026813|EA026814;UF404001|UF404002|UF404003|UF404004,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,284.1415:252.1151:254.1122|252.1151:254.1122:253.1181|176.1428:252.1148:254.112|176.1426:134.0954:133.0875|134.0953:146.0953:176.1424;252.115:176.1434:284.1413;252.1154:212.0846|284.1415:252.1152:176.1434|252.115:284.1405:176.1433|252.115:176.1435:212.0838|176.1436:252.1149:134.0965|176.1434:134.0964:133.0886|134.0965:133.0887:91.0543|284.1412:252.115|252.1151:284.1413:176.1435|252.115:176.1434:212.0837|176.1434:252.1148:134.0964|176.1434:134.0964:133.0886|134.0964:91.0542:133.0886|252.115;176.1433:252.1149:134.0964|134.0964:176.1433:133.0886|252.1148:212.0837|252.1148,Athens_Univ;CASMI_2016;Eawag;UFZ,,,,,
100.051.859,257-063-4,51219-90-0,Tris[di(2H3)methylamido]phosphorus,"N,N,N',N',N'',N''-hexamethylphosphoric triamide",CN(C)P(=O)(N(C)C)N(C)C,CN(C)P(=O)(N(C)C)N(C)C,"InChI=1/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3",C6D18N3OP,,,,,,GNOIPBMMFNIUFM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.862,257-067-6,51222-60-7,"Boric acid, cadmium salt",cadmium hydrogen borate,[Cd+2].OB([O-])[O-],[Cd+2].OB([O-])[O-],InChI=1/BHO3.Cd/c2-1(3)4;/h2H;/q-2;+2,-,,,,,,YAPIBQHFTGPXGT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.863,257-068-1,51234-22-1,2-(4-hydroxy-3-nitrophenyl)butyronitrile,2-(4-hydroxy-3-nitrophenyl)butanenitrile,CCC(C#N)c1ccc(O)c(c1)[N+](=O)[O-],CCC(C#N)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C10H10N2O3/c1-2-7(6-11)8-3-4-10(13)9(5-8)12(14)15/h3-5,7,13H,2H2,1H3",C9H8N2O3,,,,,,GGVUDMNCNFJLTF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.865,257-070-2,51234-36-7,2-(4-chlorophenyl)benzoxazole-5-propiononitrile,"3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile",Clc1ccc(cc1)c2oc3ccc(CCC#N)cc3n2,Clc1ccc(cc1)c2oc3ccc(CCC#N)cc3n2,"InChI=1/C16H11ClN2O/c17-13-6-4-12(5-7-13)16-19-14-10-11(2-1-9-18)3-8-15(14)20-16/h3-8,10H,1-2H2",C16H11ClN2O,,,,,,CZYZYPMEZOLYIW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.866,257-071-8,51234-86-7,Sodium 2-(4-chlorophenyl)benzoxazole-5-propionate,"sodium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate",[Na+].[O-]C(=O)CCc1ccc2oc(nc2c1)c3ccc(Cl)cc3,[Na+].[O-]C(=O)CCc1ccc2oc(nc2c1)c3ccc(Cl)cc3,"InChI=1/C16H12ClNO3.Na/c17-12-5-3-11(4-6-12)16-18-13-9-10(2-8-15(19)20)1-7-14(13)21-16;/h1,3-7,9H,2,8H2,(H,19,20);/q;+1/p-1",C16H12ClNO3.Na,,,,,,DHTJGQFZMDZXGW-UHFFFAOYSA-M,,,,,,,,,,,
100.051.867,257-072-3,51234-97-0,2-[3-[(4-chlorobenzoyl)amino]-4-hydroxyphenyl]propionic acid,2-{3-[(4-chlorobenzoyl)amino]-4-hydroxyphenyl}propanoic acid,CC(C(=O)O)c1ccc(O)c(NC(=O)c2ccc(Cl)cc2)c1,CC(C(=O)O)c1ccc(O)c(NC(=O)c2ccc(Cl)cc2)c1,"InChI=1/C16H14ClNO4/c1-9(16(21)22)11-4-7-14(19)13(8-11)18-15(20)10-2-5-12(17)6-3-10/h2-9,19H,1H3,(H,18,20)(H,21,22)",C16H14ClNO4,,,,,,CVXCGRGLUOUZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.869,257-074-4,51235-04-2,"3-cyclohexyl-6-dimethylamino-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione","3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione",CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C,CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C,"InChI=1/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",C12H20N4O2,,,,,,CAWXEEYDBZRFPE-UHFFFAOYSA-N,Positive,SM847401;EQ025601|EQ025602|EQ025603|EQ025604|EQ025605|EQ025606|EQ025607|EQ025608|EQ025609,[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,171.0876:253.1659:71.0604;253.1659:171.0876:71.0603|171.0876:253.166:71.0603|171.0876:71.0604:85.076|71.0604:171.0877:85.076|71.0604:85.076:171.0877|71.0604:85.076:83.024|71.0604:85.076:58.0652|71.0604:69.0448:85.0761|69.0448:71.0604:55.0291,CASMI_2016;Eawag,,,,,
100.051.873,257-079-1,51246-24-3,3-ethylnonan-3-ol,3-ethylnonan-3-ol,CCCCCCC(O)(CC)CC,CCCCCCC(O)(CC)CC,"InChI=1/C11H24O/c1-4-7-8-9-10-11(12,5-2)6-3/h12H,4-10H2,1-3H3",C11H24O,,,,,,NDQSUWBMIHEWOD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.377,258-734-4,53735-73-2,"(3ß,5ß,16ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide 16-formate","3-[(2,6-dideoxyhexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide",CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC=O)C6=CC(=O)OC6)C2,CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC=O)C6=CC(=O)OC6)C2,"InChI=1/C30H44O9/c1-16-27(34)22(32)12-25(38-16)39-19-6-8-28(2)18(11-19)4-5-21-20(28)7-9-29(3)26(17-10-24(33)36-14-17)23(37-15-31)13-30(21,29)35/h10,15-16,18-23,25-27,32,34-35H,4-9,11-14H2,1-3H3",C30H44O9,,,,,,IOXIBFLACIBMNF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.382,258-740-7,53744-42-6,"Disodium 4,4'-(1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate)","disodium 4,4'-(1,10-phenanthroline-4,7-diyl)dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5ccc(cc5)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5ccc(cc5)S(=O)(=O)[O-],"InChI=1/C24H16N2O6S2.2Na/c27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32;;/h1-14H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C24H16N2O6S2.2Na,,,,,,PCNDSIWXTYFWIA-UHFFFAOYSA-L,,,,,,,,,,,
100.053.384,258-742-8,53749-20-5,"Tris(heptane-3,5-dionato-O,O')chromium",chromium(3+) tris(5-oxohept-3-en-3-olate),CCC(=O)C=C(CC)O[Cr](OC(=CC(=O)CC)CC)OC(=CC(=O)CC)CC,CCC(=O)C=C(CC)O[Cr](OC(=CC(=O)CC)CC)OC(=CC(=O)CC)CC,"InChI=1/3C7H12O2.Cr/c3*1-3-6(8)5-7(9)4-2;/h3*5,8H,3-4H2,1-2H3;/q;;;+3/p-3/rC21H33CrO6/c1-7-16(23)13-19(10-4)26-22(27-20(11-5)14-17(24)8-2)28-21(12-6)15-18(25)9-3/h13-15H,7-12H2,1-6H3",C21H33CrO6,,,,,,DFLHBJKIRPNMKH-UHFFFAOYSA-K,,,,,,,,,,,
100.052.058,257-283-0,51556-30-0,2-isopropyl-3-methylbutyrophenone,1-(2-isopropyl-3-methylphenyl)butan-1-one,CCCC(=O)c1cccc(C)c1C(C)C,CCCC(=O)c1cccc(C)c1C(C)C,"InChI=1/C14H20O/c1-5-7-13(15)12-9-6-8-11(4)14(12)10(2)3/h6,8-10H,5,7H2,1-4H3",C14H20O,,,,,,ORHQFHNSUSACRV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.059,257-284-6,51556-88-8,(3-hydroxypropan-1-yl-3-ylidene)trisphosphonic acid,"(1-hydroxypropane-1,1,3-triyl)tris(phosphonic acid)",OC(CCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O,OC(CCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O,"InChI=1/C3H11O10P3/c4-3(15(8,9)10,16(11,12)13)1-2-14(5,6)7/h4H,1-2H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)",C3H11O10P3,,,,,,DOAAIMWVMVKYJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.063,257-288-8,51566-62-2,"3,7-dimethyloct-6-enenitrile","3,7-dimethyloct-6-enenitrile",CC(CCC=C(C)C)CC#N,CC(CCC=C(C)C)CC#N,"InChI=1/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3",C10H17N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11234,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.063,MTDAKBBUYMYKAR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.068,257-294-0,51576-82-0,1-(2-methoxyethyl)pyrrolidin-2-one,1-(2-methoxyethyl)pyrrolidin-2-one,COCCN1CCCC1=O,COCCN1CCCC1=O,"InChI=1/C7H13NO2/c1-10-6-5-8-4-2-3-7(8)9/h2-6H2,1H3",C7H13NO2,,,,,,QKGBRANQIWBMED-UHFFFAOYSA-N,,,,,,,,,,,
100.052.069,257-295-6,51579-80-7,"Dipotassium 2,5-dihydroxybenzene-1,3-disulphonate","dipotassium 2,5-dihydroxybenzene-1,3-disulfonate",[K+].[K+].Oc1cc(c(O)c(c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].[K+].Oc1cc(c(O)c(c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H6O8S2.2K/c7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",C6H6O8S2.2K,,,,,,JWNLTHADDXGNHR-UHFFFAOYSA-L,,,,,,,,,,,
100.052.071,257-297-7,51581-32-9,3-pyridyl dimethylcarbamate,pyridin-3-yl dimethylcarbamate,CN(C)C(=O)Oc1cccnc1,CN(C)C(=O)Oc1cccnc1,"InChI=1/C8H10N2O2/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3",C8H10N2O2,,,,,,VZELUFSMNDBCBO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.074,257-300-1,51590-67-1,Butyloxostannane,butyl(oxo)stannane,CCCC[Sn]=O,CCCC[Sn]=O,"InChI=1/C4H9.O.Sn/c1-3-4-2;;/h1,3-4H2,2H3;;/q;;+1/rC4H9OSn/c1-2-3-4-6-5/h2-4H2,1H3/q+1",C4H10OSn,,,,,,BVFSYZFXJYAPQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.079,257-305-9,51591-64-1,Sodium hydrogen 3-sulphonatoisonicotinate,sodium hydrogen 3-sulfonatoisonicotinate,[Na+].[O-]C(=O)c1ccncc1S(=O)(=O)[O-],[Na+].[O-]C(=O)c1ccncc1S(=O)(=O)[O-],"InChI=1/C6H5NO5S.Na/c8-6(9)4-1-2-7-3-5(4)13(10,11)12;/h1-3H,(H,8,9)(H,10,11,12);/q;+1/p-2",C6H5NO5S.Na,,,,,,PCGVTMOFALRHHB-UHFFFAOYSA-L,,,,,,,,,,,
100.052.081,257-308-5,51591-75-4,"cis-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid","1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid",OC(=O)[C@@H]1[C@@H](N(Cc2ccccc2)C(=O)N1Cc3ccccc3)C(=O)O,OC(=O)[C@@H]1[C@@H](N(Cc2ccccc2)C(=O)N1Cc3ccccc3)C(=O)O,"InChI=1/C19H18N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,23)(H,24,25)",C19H18N2O5,,,,,,QSMUFXXTSUEZJA-IYBDPMFKSA-N,,,,,,,,,,,
100.052.082,257-309-0,51591-89-0,"[S(R*,R*)]-2-amino-1-[p-(methylsulphonyl)phenyl]propane-1,3-diol","2-amino-1-[4-(methylsulfonyl)phenyl]propane-1,3-diol",CS(=O)(=O)c1ccc(cc1)C(O)C(N)CO,CS(=O)(=O)c1ccc(cc1)C(O)C(N)CO,"InChI=1/C10H15NO4S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3",C10H15NO4S,,,,,,CIAZEFCFQFQJLB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.083,257-310-6,51595-91-6,"3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol","3-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol",CC1(C)CCCC(\\C)=C1\\C=C(C)C(C)O,CC1(C)CCCC(\C)=C1\C=C(C)C(C)O,"InChI=1/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,12,15H,6-8H2,1-5H3",C14H24O,,,,,,RGCSRKQFSSXYRE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.084,257-311-1,51596-04-4,"p-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(5-hydroxy-3-methyl-4-{[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrazol-1-yl)benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)c4O,OS(=O)(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)c4O,"InChI=1/C21H18N4O8S2/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33)",C21H18N4O8S2,,,,,,BJVYYBLMMMDMOC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.024,253-945-8,38455-64-0,"Stearic acid, compound with 2,2'-iminodiethanol (3:1)","octadecanoic acid - 2,2'-iminodiethanol (3:1)",CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO,"InChI=1/3C18H36O2.C4H11NO2/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h3*2-17H2,1H3,(H,19,20);5-7H,1-4H2",C18H36O2.1/3C4H11NO2,,,,,,GVUWQURWWMMPQV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.028,253-950-5,38456-45-0,"Benzothiazole-2(3H)-thione, compound with diethylamine (1:1)","1,3-benzothiazole-2(3H)-thione - N-ethylethanamine (1:1)",CCNCC.S=C1Nc2ccccc2S1,CCNCC.S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.C4H11N/c9-7-8-5-3-1-2-4-6(5)10-7;1-3-5-4-2/h1-4H,(H,8,9);5H,3-4H2,1-2H3",C7H5NS2.C4H11N,,,,,,KBGASPZQKDYDDG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.538,255-611-7,41994-80-3,"Titanium(4+) 2-methylpentane-2,4-diolate","titanium(4+) bis(2-methylpentane-2,4-diolate)",[Ti+4].CC([O-])CC(C)(C)[O-].CC([O-])CC(C)(C)[O-],[Ti+4].CC([O-])CC(C)(C)[O-].CC([O-])CC(C)(C)[O-],"InChI=1/2C6H12O2.Ti/c2*1-5(7)4-6(2,3)8;/h2*5H,4H2,1-3H3;/q2*-2;+4",C6H14O2.xTi,,,,,,GSZUETAWERUDNK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.540,255-613-8,41995-30-6,"3,5-dimethylpyridin-2-amine","3,5-dimethylpyridin-2-amine",Cc1cnc(N)c(C)c1,Cc1cnc(N)c(C)c1,"InChI=1/C7H10N2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3,(H2,8,9)",C7H10N2,,,,,,NLDDLJBGRZJASZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.550,255-624-8,42016-66-0,4-aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate,[(4-aminobenzoyl)oxy](triethyl)ammonium 2-(4-chlorophenoxy)-2-methylpropanoate,CC[N+](CC)(CC)OC(=O)c1ccc(N)cc1.CC(C)(Oc2ccc(Cl)cc2)C(=O)[O-],CC[N+](CC)(CC)OC(=O)c1ccc(N)cc1.CC(C)(Oc2ccc(Cl)cc2)C(=O)[O-],"InChI=1/C13H20N2O2.C10H11ClO3/c1-4-15(5-2,6-3)17-13(16)11-7-9-12(14)10-8-11;1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h7-10H,4-6H2,1-3H3,(H-,14,16);3-6H,1-2H3,(H,12,13)",C13H20N2O2.C10H11ClO3,,,,,,GIIMLKGOZIKCIH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.552,255-626-9,42017-89-0,2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropionic acid,2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid,CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O,CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O,"InChI=1/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)",C17H15ClO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18478,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.552,MQOBSOSZFYZQOK-UHFFFAOYSA-N,Positive/Negative,AU205601|AU205602|AU205603|AU205604|AU205605;EA033701|EA033702|EA033703|EA033704|EA033705|EA033706|EA033707|EA033708|EA033709|EA033710|EA033711|EA033712|EA033713|EA033714,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,319.0733:233.0362:321.0715|233.0357:235.0332:234.0387|233.0357:138.9932:121.0274|138.9932:140.9906:121.0274|138.9932:121.0278:140.9906;233.0365:138.9942:121.0282|319.073:233.0362:138.9945|233.0366:138.9944:319.0732|233.0363:138.9945:121.0283|138.9945:121.0284:233.036|138.9946:121.0284:139.006|138.9945:139.0056:121.0284|319.0731:233.0362:121.0279|233.0365:138.9943:319.0729|233.0363:138.9945:121.0284|138.9945:121.0284:233.0363|138.9945:121.0284:139.0056|138.9945:139.0057:121.0284|233.0364:121.0284,Athens_Univ;Eawag,EA033751|EA033752|EA033753|EA033754|EA033755|EA033756|EA033758|EA033759|EA033760|EA033761|EA033762|EA033763,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,231.022|231.0215|231.0219|231.0216|231.0213|231.0225|231.0217|231.0215|231.0215|231.0214|231.021|231.022,Eawag
100.050.555,255-630-0,42021-35-2,"(S)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one","1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one",Fc1ccc(cc1)C(=O)CCCN2CCN3Cc4[nH]c5ccccc5c4C[C@H]3C2,Fc1ccc(cc1)C(=O)CCCN2CCN3Cc4[nH]c5ccccc5c4C[C@H]3C2,"InChI=1/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2",C24H26FN3O,,,,,,YCNCIZWAGQTWBI-IBGZPJMESA-N,,,,,,,,,,,
100.050.561,255-636-3,42039-81-6,"5-ethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione","5-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCC1C(=O)NC(=S)NC1=O,CCC1C(=O)NC(=S)NC1=O,"InChI=1/C6H8N2O2S/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)",C6H8N2O2S,,,,,,BILGEDJBYOAIMI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.567,255-643-1,42065-76-9,Isopropylsulphamic acid,isopropylsulfamic acid,CC(C)NS(=O)(=O)O,CC(C)NS(=O)(=O)O,"InChI=1/C3H9NO3S/c1-3(2)4-8(5,6)7/h3-4H,1-2H3,(H,5,6,7)",C3H9NO3S,,,,,,JWQSOOZHYMZRBT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.575,255-652-0,42079-78-7,5-methoxy-2-phenyl-4-benzopyrone,5-methoxy-2-phenyl-4H-chromen-4-one,COc1cccc2OC(=CC(=O)c12)c3ccccc3,COc1cccc2OC(=CC(=O)c12)c3ccccc3,"InChI=1/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3",C16H12O3,,,,,,XRQSPUXANRGDAV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.439,253-300-0,36986-04-6,1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride,1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium chloride,[Cl-].[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[Cl-].[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H21ClN5O2.ClH/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;/h3-13,16H,2,14-15H2,1H3;1H/q+1;/p-1",C21H21ClN5O2.Cl,,,,,,WJRAWLJYIVLGHB-UHFFFAOYSA-M,,,,,,,,,,,
100.048.454,253-316-8,37028-40-3,"(Z)-N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propylamine hydrochloride","N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propan-1-amine hydrochloride",Cl.CN(C)CC\\C=C/1\\c2ccccc2Sc3ccc(cc13)C(F)(F)F,Cl.CN(C)CC\C=C/1\c2ccccc2Sc3ccc(cc13)C(F)(F)F,"InChI=1/C19H18F3NS.ClH/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22;/h3-4,6-10,12H,5,11H2,1-2H3;1H",C19H18F3NS.ClH,,,,,,KAKFVUQHGXFCIM-KIUKIJHYSA-N,,,,,,,,,,,
100.048.455,253-317-3,37028-65-2,"N,N-dimethylthioxanthene-9-propylamine","N,N-dimethyl-3-(9H-thioxanthen-9-yl)propan-1-amine",CN(C)CCCC1c2ccccc2Sc3ccccc13,CN(C)CCCC1c2ccccc2Sc3ccccc13,"InChI=1/C18H21NS/c1-19(2)13-7-10-14-15-8-3-5-11-17(15)20-18-12-6-4-9-16(14)18/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3",C18H21NS,,,,,,IUAFRBRSXNQBPC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.457,253-319-4,37032-07-8,Ethyl (ethylthio)methyl sulphoxide,{[(ethylsulfanyl)methyl]sulfinyl}ethane,CCSCS(=O)CC,CCSCS(=O)CC,"InChI=1/C5H12OS2/c1-3-7-5-8(6)4-2/h3-5H2,1-2H3",C5H12OS2,,,,,,NWBCRWCKZUXDNV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.459,253-322-0,37033-95-7,Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate,ethyl 5-(benzyloxy)-1H-indole-2-carboxylate,CCOC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1,CCOC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1,"InChI=1/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3",C18H17NO3,,,,,,DCIFXYFKVKDOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.864,265-869-2,65676-21-3,a-(4-chlorophenyl)-a-[2-(dimethylamino)ethyl]pyridine-2-acetonitrile,2-(4-chlorophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile,CN(C)CCC(C#N)(c1ccc(Cl)cc1)c2ccccn2,CN(C)CCC(C#N)(c1ccc(Cl)cc1)c2ccccn2,"InChI=1/C17H18ClN3/c1-21(2)12-10-17(13-19,16-5-3-4-11-20-16)14-6-8-15(18)9-7-14/h3-9,11H,10,12H2,1-2H3",C17H18ClN3,,,,,,XWFSLFHFPQWKNV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.868,265-873-4,65687-00-5,"(-)-4,5-dihydro-N-(2,2,2-trifluoro-1-phenylethyl)oxazol-2-amine","N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine",FC(F)(F)C(NC1=NCCO1)c2ccccc2,FC(F)(F)C(NC1=NCCO1)c2ccccc2,"InChI=1/C11H11F3N2O/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h1-5,9H,6-7H2,(H,15,16)",C11H11F3N2O,,,,,,FYSRTGQDTZCAFG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.870,265-876-0,65689-55-6,"Bis[1]benzothieno[3,2-e:2',3'-g]isobenzofuran-5,7-dione","bis[1]benzothieno[3,2-e:2',3'-g][2]benzofuran-5,7-dione",O=C1OC(=O)c2c1c3c4ccccc4sc3c5sc6ccccc6c25,O=C1OC(=O)c2c1c3c4ccccc4sc3c5sc6ccccc6c25,InChI=1/C20H8O3S2/c21-19-15-13-9-5-1-3-7-11(9)24-17(13)18-14(16(15)20(22)23-19)10-6-2-4-8-12(10)25-18/h1-8H,C20H8O3S2,,,,,,ZNAMIHCKMMKPPU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.871,265-877-6,65689-56-7,"Bis[1]benzothieno[2,3-e:2',3'-g]isobenzofuran-6,8-dione","bis[1]benzothieno[2,3-e:2',3'-g][2]benzofuran-6,8-dione",O=C1OC(=O)c2c1c3sc4ccccc4c3c5sc6ccccc6c25,O=C1OC(=O)c2c1c3sc4ccccc4c3c5sc6ccccc6c25,InChI=1/C20H8O3S2/c21-19-15-13-9-5-1-3-7-11(9)24-17(13)14-10-6-2-4-8-12(10)25-18(14)16(15)20(22)23-19/h1-8H,C20H8O3S2,,,,,,GHUNIOUBRRNLQM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.874,265-880-2,65694-10-2,Benzyldimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,"N-benzyl-N,N-dimethyl-3-(stearoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C30H54N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(33)31-26-22-27-32(2,3)28-29-23-19-18-20-24-29;/h18-20,23-24H,4-17,21-22,25-28H2,1-3H3;1H",C30H55N2O.Cl,,,,,,HLRGNDHZJRNZJH-UHFFFAOYSA-N,,,,,,,,,,,
100.060.750,266-845-4,67663-00-7,"a,a,e,3-tetramethyl-<U+03B7>-(3-methyl-3H-indol-3-yl)-3H-indole-3-heptanol","2,6-dimethyl-8,8-bis(3-methyl-3H-indol-3-yl)octan-2-ol",CC(CCCC(C)(C)O)CC(C1(C)C=Nc2ccccc12)C3(C)C=Nc4ccccc34,CC(CCCC(C)(C)O)CC(C1(C)C=Nc2ccccc12)C3(C)C=Nc4ccccc34,"InChI=1/C28H36N2O/c1-20(11-10-16-26(2,3)31)17-25(27(4)18-29-23-14-8-6-12-21(23)27)28(5)19-30-24-15-9-7-13-22(24)28/h6-9,12-15,18-20,25,31H,10-11,16-17H2,1-5H3",C28H36N2O,,,,,,LRPMXGLOVFPBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.060.754,266-850-1,67663-04-1,Pentyl non-2-enoate,pentyl non-2-enoate,CCCCCOC(=O)C=CCCCCCC,CCCCCOC(=O)C=CCCCCCC,"InChI=1/C14H26O2/c1-3-5-7-8-9-10-12-14(15)16-13-11-6-4-2/h10,12H,3-9,11,13H2,1-2H3",C14H26O2,,,,,,NVQPESODGNGEPC-UHFFFAOYSA-N,,,,,,,,,,,
100.060.756,266-852-2,67669-59-4,"20-(4-dodecylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol","20-(4-dodecylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol",CCCCCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,CCCCCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,"InChI=1/C32H58O8/c1-2-3-4-5-6-7-8-9-10-11-12-31-13-15-32(16-14-31)40-30-29-39-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-17-33/h13-16,33H,2-12,17-30H2,1H3",C32H58O8,,,,,,DBYCHBRPJCNLSN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.766,266-863-2,67674-24-2,"4-[(4-amino-5-methoxy-o-tolyl)azo]-N,N-dimethylbenzenesulphonamide","4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide",Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S(=O)(=O)N(C)C,Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S(=O)(=O)N(C)C,"InChI=1/C16H20N4O3S/c1-11-9-14(17)16(23-4)10-15(11)19-18-12-5-7-13(8-6-12)24(21,22)20(2)3/h5-10H,17H2,1-4H3",C16H20N4O3S,,,,,,DBZDIZIHYNYEMO-UHFFFAOYSA-N,,,,,,,,,,,
100.060.768,266-865-3,67674-26-4,1-[(2-hydroxyethyl)amino]-4-[(3-hydroxypropyl)amino]anthraquinone,"1-[(2-hydroxyethyl)amino]-4-[(3-hydroxypropyl)amino]-9,10-anthraquinone",OCCCNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,OCCCNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H20N2O4/c22-10-3-8-20-14-6-7-15(21-9-11-23)17-16(14)18(24)12-4-1-2-5-13(12)19(17)25/h1-2,4-7,20-23H,3,8-11H2",C19H20N2O4,,,,,,XWIBNOGPNKMAPE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.774,266-872-1,67674-34-4,a-ethyl-a-methylpyridine-2-methanol,2-pyridin-2-ylbutan-2-ol,CCC(C)(O)c1ccccn1,CCC(C)(O)c1ccccn1,"InChI=1/C9H13NO/c1-3-9(2,11)8-6-4-5-7-10-8/h4-7,11H,3H2,1-2H3",C9H13NO,,,,,,KNIXQRNBAWQBAE-UHFFFAOYSA-N,,,,,,,,,,,
100.056.008,261-629-6,59151-19-8,Ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate,ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate,CCCCCC1CC(=O)C=C(C)C1C(=O)OCC,CCCCCC1CC(=O)C=C(C)C1C(=O)OCC,"InChI=1/C15H24O3/c1-4-6-7-8-12-10-13(16)9-11(3)14(12)15(17)18-5-2/h9,12,14H,4-8,10H2,1-3H3",C15H24O3,,,,,,ZJLHQWGPVWXKME-UHFFFAOYSA-N,,,,,,,,,,,
100.056.011,261-632-2,59157-06-1,"5,10-dioxo-5H,10H-diimidazo[1,5-a:1',5'-d]pyrazine-1,6-dicarbonyl dichloride","5,10-dioxo-5H,10H-diimidazo[1,5-a:1',5'-d]pyrazine-1,6-dicarbonyl dichloride",ClC(=O)c1ncn2C(=O)c3c(ncn3C(=O)c12)C(=O)Cl,ClC(=O)c1ncn2C(=O)c3c(ncn3C(=O)c12)C(=O)Cl,InChI=1/C10H2Cl2N4O4/c11-7(17)3-5-10(20)16-2-14-4(8(12)18)6(16)9(19)15(5)1-13-3/h1-2H,C10H2Cl2N4O4,,,,,,DSXPZEAWGCENHU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.779,253-676-6,37819-84-4,"N-(2,2,6,6-tetramethyl-4-piperidyl)stearamide","N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide",CCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)NC(C)(C)C1,CCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)NC(C)(C)C1,"InChI=1/C27H54N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(30)28-24-22-26(2,3)29-27(4,5)23-24/h24,29H,6-23H2,1-5H3,(H,28,30)",C27H54N2O,,,,,,BJYOZDZOZKVTAH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.788,253-686-0,37837-69-7,"1,2,3,4-tetrahydronaphthalenesulphonic acid","1,2,3,4-tetrahydronaphthalene-1-sulfonic acid",OS(=O)(=O)C1CCCc2ccccc12,OS(=O)(=O)C1CCCc2ccccc12,"InChI=1/C10H12O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,11,12,13)",C10H12O3S,,,,,,BGLLQCPSNQUDKF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.790,253-688-1,37843-12-2,"Dichloromethyl(2-tricyclo[3.3.1.13,7]dec-1-ylethyl)silane",(2-adamantan-1-ylethyl)(dichloro)methylsilane,C[Si](Cl)(Cl)CCC12CC3CC(CC(C3)C1)C2,C[Si](Cl)(Cl)CCC12CC3CC(CC(C3)C1)C2,"InChI=1/C13H22Cl2Si/c1-16(14,15)3-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,2-9H2,1H3",C13H22Cl2Si,,,,,,LITOCWMGEQFEKS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.791,253-689-7,37843-26-8,"Butan-2-one O,O'-(dimethylsilanediyl)dioxime","butan-2-one O,O'-(dimethylsilanediyl)oxime",CCC(=NO[Si](C)(C)ON=C(C)CC)C,CCC(=NO[Si](C)(C)ON=C(C)CC)C,"InChI=1/C10H22N2O2Si/c1-7-9(3)11-13-15(5,6)14-12-10(4)8-2/h7-8H2,1-6H3",C10H22N2O2Si,,,,,,PDSZTERQBYHTDH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.809,253-708-9,37908-96-6,3-chloro-p-anisic acid,3-chloro-4-methoxybenzoic acid,COc1ccc(cc1Cl)C(=O)O,COc1ccc(cc1Cl)C(=O)O,"InChI=1/C8H7ClO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)",C8H7ClO3,,,,,,IBCQUQXCTOPJOD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.811,253-711-5,37909-25-4,Magnesium decanolate,magnesium didecan-1-olate,[Mg+2].CCCCCCCCCC[O-].CCCCCCCCCC[O-],[Mg+2].CCCCCCCCCC[O-].CCCCCCCCCC[O-],"InChI=1/2C10H21O.Mg/c2*1-2-3-4-5-6-7-8-9-10-11;/h2*2-10H2,1H3;/q2*-1;+2",C10H22O.1/2Mg,,,,,,BIRXHGQICXXWGB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.126,257-357-2,51716-63-3,"cis-tetrahydropentalene-2,5(1H,3H)-dione","tetrahydropentalene-2,5(1H,3H)-dione",O=C1C[C@@H]2CC(=O)C[C@@H]2C1,O=C1C[C@@H]2CC(=O)C[C@@H]2C1,"InChI=1/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2",C8H10O2,,,,,,HAFQHNGZPQYKFF-OLQVQODUSA-N,,,,,,,,,,,
100.052.136,257-368-2,51740-69-3,"Card-20(22)-enolide, 12-(acetyloxy)-3-[(O-2,6-dideoxy-4-O-methyl-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3ß,5ß,12ß)-","12-acetoxy-3-{[2,6-dideoxy-4-O-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide",COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(OC(=O)C)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C)OC1C,COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(OC(=O)C)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C)OC1C,"InChI=1/C44H68O15/c1-21-39(51-7)31(46)17-37(53-21)58-41-23(3)55-38(19-33(41)48)59-40-22(2)54-36(18-32(40)47)57-27-10-12-42(5)26(15-27)8-9-29-30(42)16-34(56-24(4)45)43(6)28(11-13-44(29,43)50)25-14-35(49)52-20-25/h14,21-23,26-34,36-41,46-48,50H,8-13,15-20H2,1-7H3",C44H68O15,,,,,,TYDWQEDMABFJDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.137,257-369-8,51741-78-7,Methyl 2-(3-methylbenzothiazolin-2-ylidene)dithioacetate,"methyl (3-methyl-1,3-benzothiazol-2(3H)-ylidene)ethane(dithioate)",CSC(=S)C=C2Sc1ccccc1N2C,CSC(=S)C=C2Sc1ccccc1N2C,"InChI=1/C11H11NS3/c1-12-8-5-3-4-6-9(8)15-10(12)7-11(13)14-2/h3-7H,1-2H3",C11H11NS3,,,,,,NUJLHAURLLYKRL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.141,257-374-5,51749-70-3,1-methyl-2-(trimethoxysilyl)ethyl methacrylate,1-methyl-2-(trimethoxysilyl)ethyl methacrylate,CO[Si](CC(C)OC(=O)C(=C)C)(OC)OC,CO[Si](CC(C)OC(=O)C(=C)C)(OC)OC,"InChI=1/C10H20O5Si/c1-8(2)10(11)15-9(3)7-16(12-4,13-5)14-6/h9H,1,7H2,2-6H3",C10H20O5Si,,,,,,XTVNGRMJOGNDOG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.144,257-377-1,51750-84-6,"2-(2-chlorophenyl)-3',6'-bis(diethylamino)spiro[1H-isoindole-1,9'-[9H]xanthene]-3(2H)-one","2-(2-chlorophenyl)-3',6'-bis(diethylamino)spiro[isoindole-1,9'-xanthen]-3(2H)-one",CCN(CC)c1ccc2c(Oc3cc(ccc3C24N(C(=O)c5ccccc45)c6ccccc6Cl)N(CC)CC)c1,CCN(CC)c1ccc2c(Oc3cc(ccc3C24N(C(=O)c5ccccc45)c6ccccc6Cl)N(CC)CC)c1,"InChI=1/C34H34ClN3O2/c1-5-36(6-2)23-17-19-27-31(21-23)40-32-22-24(37(7-3)8-4)18-20-28(32)34(27)26-14-10-9-13-25(26)33(39)38(34)30-16-12-11-15-29(30)35/h9-22H,5-8H2,1-4H3",C34H34ClN3O2,,,,,,NWIBNQGTUBWBJE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.145,257-378-7,51754-03-1,Potassium hydroxymethanesulphonate,potassium hydroxymethanesulfonate,[K+].OCS(=O)(=O)[O-],[K+].OCS(=O)(=O)[O-],"InChI=1/CH4O4S.K/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1",CH4O4S.K,,,,,,YYKGYTHEGCZRRI-UHFFFAOYSA-M,,,,,,,,,,,
100.052.154,257-388-1,51761-16-1,7-amino-2-naphthol hydrochloride,7-amino-2-naphthol hydrochloride,Cl.Nc1ccc2ccc(O)cc2c1,Cl.Nc1ccc2ccc(O)cc2c1,"InChI=1/C10H9NO.ClH/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;/h1-6,12H,11H2;1H",C10H9NO.ClH,,,,,,VDFLTUHMDULKQC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.037,253-959-4,38465-60-0,Copper(2+) tetrafluoroborate(1-),copper(2+) ditetrafluoroborate,[Cu+2].F[B-](F)(F)F.F[B-](F)(F)F,[Cu+2].F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/2BF4.Cu/c2*2-1(3,4)5;/q2*-1;+2",BF4.1/2Cu,,,,,,HMUNZEYTSRPVBE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.041,253-964-1,38478-77-2,"Adipic acid, dianhydride with bis(acetic acid)",-,CC(=O)OC(=O)CCCCC(=O)OC(=O)C,CC(=O)OC(=O)CCCCC(=O)OC(=O)C,"InChI=1/C10H14O6/c1-7(11)15-9(13)5-3-4-6-10(14)16-8(2)12/h3-6H2,1-2H3",C10H14O6,,,,,,RFANYEWAHJJLAD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.042,253-965-7,38479-34-4,"Cyclohexane-1,4-diyl bismethacrylate","cyclohexane-1,4-diyl bis(2-methylacrylate)",CC(=C)C(=O)OC1CCC(CC1)OC(=O)C(=C)C,CC(=C)C(=O)OC1CCC(CC1)OC(=O)C(=C)C,"InChI=1/C14H20O4/c1-9(2)13(15)17-11-5-7-12(8-6-11)18-14(16)10(3)4/h11-12H,1,3,5-8H2,2,4H3",C14H20O4,,,,,,OFIMLDVVRXOXSK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.056,253-980-9,38517-23-6,Sodium hydrogen N-(1-oxooctadecyl)-L-glutamate,sodium hydrogen 2-(stearoylamino)pentanedioate,[Na+].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C23H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+1/p-2",C23H43NO5.Na,,,,,,QKHBMQWPOUUMQZ-BDQAORGHSA-L,,,,,,,,,,,
100.049.057,253-981-4,38517-37-2,Sodium hydrogen N-(1-oxotetradecyl)-L-glutamate,sodium hydrogen 2-(tetradecanoylamino)pentanedioate,[Na+].CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Na+].CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/q;+1/p-2",C19H35NO5.Na,,,,,,ZNYIJXQYUNSKDX-NTISSMGPSA-L,,,,,,,,,,,
100.049.061,253-986-1,38521-84-5,"3-hydroxypregna-5,16-dien-20-one 3-acetate","20-oxopregna-5,16-dien-3-yl acetate",CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1,CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1,"InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3",C23H32O3,,,,,,MZWRIOUCMXPLKV-KHLRSJGRSA-N,,,,,,,,,,,
100.049.067,253-992-4,38540-90-8,2-(N-ethyl-p-methoxyanilino)ethanol,2-[ethyl(4-methoxyphenyl)amino]ethanol,CCN(CCO)c1ccc(OC)cc1,CCN(CCO)c1ccc(OC)cc1,"InChI=1/C11H17NO2/c1-3-12(8-9-13)10-4-6-11(14-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3",C11H17NO2,,,,,,PRZLVBMLJYDCEM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.069,253-995-0,38550-83-3,1-ethyl-2-heptadecyl-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate,"1-ethyl-2-heptadecyl-3-(2-hydroxyethyl)-2,3-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCCCCCCCCCCCC1N(CCO)C=C[NH+]1CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC1N(CCO)C=C[NH+]1CC.CCOS(=O)(=O)[O-],"InChI=1/C24H48N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h20-21,24,27H,3-19,22-23H2,1-2H3;2H2,1H3,(H,3,4,5)",C24H47N2O.C2H5O4S,,,,,,NKLDHHZWJCDYJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.928,258-239-3,52892-97-4,"1,4-cyclohexanediylbis(methylene) bismethacrylate","cyclohexane-1,4-diylbis(methylene) bis(2-methylacrylate)",CC(=C)C(=O)OCC1CCC(COC(=O)C(=C)C)CC1,CC(=C)C(=O)OCC1CCC(COC(=O)C(=C)C)CC1,"InChI=1/C16H24O4/c1-11(2)15(17)19-9-13-5-7-14(8-6-13)10-20-16(18)12(3)4/h13-14H,1,3,5-10H2,2,4H3",C16H24O4,,,,,,NKIDFMYWMSBSRA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.945,258-258-7,52921-08-1,Betaine aspartate,"carboxy-N,N,N-trimethylmethanaminium 3-amino-3-carboxypropanoate",C[N+](C)(C)CC(=O)O.N[C@@H](CC(=O)[O-])C(=O)O,C[N+](C)(C)CC(=O)O.N[C@@H](CC(=O)[O-])C(=O)O,"InChI=1/C5H11NO2.C4H7NO4/c1-6(2,3)4-5(7)8;5-2(4(8)9)1-3(6)7/h4H2,1-3H3;2H,1,5H2,(H,6,7)(H,8,9)",C5H12NO2.C4H6NO4,,,,,,GROIBJFMWIHJHX-WNQIDUERSA-N,,,,,,,,,,,
100.052.963,258-278-6,52959-32-7,"4,6-diethylresorcinol","4,6-diethylbenzene-1,3-diol",CCc1cc(CC)c(O)cc1O,CCc1cc(CC)c(O)cc1O,"InChI=1/C10H14O2/c1-3-7-5-8(4-2)10(12)6-9(7)11/h5-6,11-12H,3-4H2,1-2H3",C10H14O2,,,,,,UACZNFSEKRCDDO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.964,258-279-1,52959-43-0,"2,2',2'',2'''-[1,4-dithiane-2,5-diylidenetetrakis(thio)]tetrakisacetic acid","2,2',2'',2'''-(1,4-dithiane-2,2,5,5-tetrayltetrasulfanediyl)tetraacetic acid",OC(=O)CSC1(CSC(CS1)(SCC(=O)O)SCC(=O)O)SCC(=O)O,OC(=O)CSC1(CSC(CS1)(SCC(=O)O)SCC(=O)O)SCC(=O)O,"InChI=1/C12H16O8S6/c13-7(14)1-21-11(22-2-8(15)16)5-26-12(6-25-11,23-3-9(17)18)24-4-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",C12H16O8S6,,,,,,ZGLLJEKDAHITBE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.966,258-281-2,52962-99-9,7-syn-methoxymethylnorborn-5-en-2-one,7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one,COCC1[C@@H]2CC(=O)[C@H]1C=C2,COCC1[C@@H]2CC(=O)[C@H]1C=C2,"InChI=1/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-8H,4-5H2,1H3",C9H12O2,,,,,,FAQMUJPTADIXNH-WPZUCAASSA-N,,,,,,,,,,,
100.050.287,255-334-1,41362-82-7,"3-[[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]methylamino]propiononitrile","3-[{4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}(methyl)amino]propanenitrile",N#CCCN(C)c1ccc(cc1)N=Nc2nc3cc(Cl)c(Cl)cc3s2,N#CCCN(C)c1ccc(cc1)N=Nc2nc3cc(Cl)c(Cl)cc3s2,"InChI=1/C17H13Cl2N5S/c1-24(8-2-7-20)12-5-3-11(4-6-12)22-23-17-21-15-9-13(18)14(19)10-16(15)25-17/h3-6,9-10H,2,8H2,1H3",C17H13Cl2N5S,,,,,,ZYGZQXAGOIGRCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.462,253-325-7,37051-42-6,"2,2'-(dioxydicarbonyl)bisbenzoic acid","2,2'-(dioxydicarbonyl)dibenzoic acid",OC(=O)c1ccccc1C(=O)OOC(=O)c2ccccc2C(=O)O,OC(=O)c1ccccc1C(=O)OOC(=O)c2ccccc2C(=O)O,"InChI=1/C16H10O8/c17-13(18)9-5-1-3-7-11(9)15(21)23-24-16(22)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,17,18)(H,19,20)",C16H10O8,,,,,,DEQYKFQEQDSGBB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.467,253-330-4,37066-82-3,"Titanium(4+) octane-1,8-diolate","titanium(4+) dioctane-1,8-diolate",[Ti+4].[O-]CCCCCCCC[O-].[O-]CCCCCCCC[O-],[Ti+4].[O-]CCCCCCCC[O-].[O-]CCCCCCCC[O-],InChI=1/2C8H16O2.Ti/c2*9-7-5-3-1-2-4-6-8-10;/h2*1-8H2;/q2*-2;+4,C8H18O2.1/4Ti,,,,,,NDDIBAAAWBPMNO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.469,253-333-0,37067-30-4,7-[[2-acetamido-2-deoxy-ß-D-glucopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc3C(=CC(=O)Oc3c2)C,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc3C(=CC(=O)Oc3c2)C,"InChI=1/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)",C18H21NO8,,,,,,QCTHLCFVVACBSA-JVNHZCFISA-N,,,,,,,,,,,
100.048.472,253-336-7,37078-06-1,3-methylpent-2-en-1-yl acetate,3-methylpent-2-en-1-yl acetate,CC(=O)OCC=C(C)CC,CC(=O)OCC=C(C)CC,"InChI=1/C8H14O2/c1-4-7(2)5-6-10-8(3)9/h5H,4,6H2,1-3H3",C8H14O2,,,,,,IJCQHJBYPARIAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.802,257-001-6,51134-03-3,Chloroisocyanatobenzene,1-chloro-2-isocyanatobenzene,Clc1ccccc1N=C=O,Clc1ccccc1N=C=O,InChI=1/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,C7H4ClNO,,,,,,NOHQUGRVHSJYMR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.804,257-003-7,51135-96-7,4-benzylpiperidin-4-ol,4-benzylpiperidin-4-ol,OC1(Cc2ccccc2)CCNCC1,OC1(Cc2ccccc2)CCNCC1,"InChI=1/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2",C12H17NO,,,,,,KJZBZOFESQSBCV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.825,257-026-2,51160-64-6,"(methyl-1,3-phenylene)bis[iminocarbonyloxy[2,2-bis[[(1-oxoallyl)oxy]methyl]]-3,1-propanediyl] diacrylate","3-(acryloyloxy)-2-{[({3-[({3-(acryloyloxy)-2,2-bis[(acryloyloxy)methyl]propoxy}carbonyl)amino]-2-methylphenyl}carbamoyl)oxy]methyl}-2-[(acryloyloxy)methyl]propyl acrylate (non-preferred name)",Cc1c(NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)cccc1NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,Cc1c(NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)cccc1NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C37H42N2O16/c1-8-28(40)48-17-36(18-49-29(41)9-2,19-50-30(42)10-3)23-54-34(46)38-26-15-14-16-27(25(26)7)39-35(47)55-24-37(20-51-31(43)11-4,21-52-32(44)12-5)22-53-33(45)13-6/h8-16H,1-6,17-24H2,7H3,(H,38,46)(H,39,47)",C37H42N2O16,,,,,,GTADQCQJROMPQI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.831,257-033-0,51178-59-7,"3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl methacrylate","3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-1-yl methacrylate",CC(=C)C(=O)OC1C=CC2C3CC(C=C3)C12,CC(=C)C(=O)OC1C=CC2C3CC(C=C3)C12,"InChI=1/C14H16O2/c1-8(2)14(15)16-12-6-5-11-9-3-4-10(7-9)13(11)12/h3-6,9-13H,1,7H2,2H3",C14H16O2,,,,,,APJQZXPTPACCNB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.837,257-039-3,51186-39-1,O-methyl-3-phenyl-L-alanine hydrogen sulphate,methyl L-phenylalaninate sulfate,COC(=O)[C@@H](N)Cc1ccccc1.OS(=O)(=O)O,COC(=O)[C@@H](N)Cc1ccccc1.OS(=O)(=O)O,"InChI=1/C10H13NO2.H2O4S/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;1-5(2,3)4/h2-6,9H,7,11H2,1H3;(H2,1,2,3,4)",C10H13NO2.H2O4S,,,,,,MRJNSMBULLCBBR-FVGYRXGTSA-N,,,,,,,,,,,
100.053.865,259-272-6,54641-24-6,2-[[bis(dimethylamino)phosphinyl]oxy]ethyl methacrylate,2-{[bis(dimethylamino)phosphoryl]oxy}ethyl methacrylate,CN(C)P(=O)(OCCOC(=O)C(=C)C)N(C)C,CN(C)P(=O)(OCCOC(=O)C(=C)C)N(C)C,"InChI=1/C10H21N2O4P/c1-9(2)10(13)15-7-8-16-17(14,11(3)4)12(5)6/h1,7-8H2,2-6H3",C10H21N2O4P,,,,,,KVLYHDPFXAIPSR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.867,259-274-7,54647-77-7,"N-[(benzyloxy)carbonyl]-L-valine, compound with dicyclohexylamine (1:1)",N-[(benzyloxy)carbonyl]-L-valine - N-cyclohexylcyclohexanamine (1:1),CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C13H17NO4.C12H23N/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);11-13H,1-10H2",C13H17NO4.C12H23N,,,,,,DKSXSYBQFIICCS-MERQFXBCSA-N,,,,,,,,,,,
100.048.750,253-644-1,37726-18-4,Dilithium sodium phosphate,dilithium sodium phosphate,[Li+].[Li+].[Na+].[O-]P(=O)([O-])[O-],[Li+].[Li+].[Na+].[O-]P(=O)([O-])[O-],"InChI=1/2Li.Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",H3O4P.2Li.Na,,,,,,HUTPQVHDSCWFNI-UHFFFAOYSA-K,,,,,,,,,,,
100.048.761,253-656-7,37762-97-3,1-(4-methylthiazol-2-yl)pyrrolidin-2-one,"1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one",Cc1csc(n1)N2CCCC2=O,Cc1csc(n1)N2CCCC2=O,"InChI=1/C8H10N2OS/c1-6-5-12-8(9-6)10-4-2-3-7(10)11/h5H,2-4H2,1H3",C8H10N2OS,,,,,,SBHVIWWABYNDCX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.762,253-657-2,37763-23-8,Methyl (R)-amino(4-hydroxyphenyl)acetate,methyl amino(4-hydroxyphenyl)acetate,COC(=O)[C@H](N)c1ccc(O)cc1,COC(=O)[C@H](N)c1ccc(O)cc1,"InChI=1/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3",C9H11NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10444,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.762,SZBDOFWNZVHVGR-MRVPVSSYSA-N,,,,,,,,,,,
100.048.763,253-658-8,37764-25-3,"N,N-diallyldichloroacetamide","N,N-diallyl-2,2-dichloroacetamide",ClC(Cl)C(=O)N(CC=C)CC=C,ClC(Cl)C(=O)N(CC=C)CC=C,"InChI=1/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2",C8H11Cl2NO,,,,,,YRMLFORXOOIJDR-UHFFFAOYSA-N,Positive,AU383301|AU383302,[M+H]+,CID10|CID20,208.0303:210.0271:139.9668|139.9664:208.0296:141.9624,Athens_Univ,,,,,
100.056.012,261-633-8,59157-17-4,2-bromotridecane,2-bromotridecane,CCCCCCCCCCCC(C)Br,CCCCCCCCCCCC(C)Br,"InChI=1/C13H27Br/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12H2,1-2H3",C13H27Br,,,,,,XNCUZDYTCKIDEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.017,261-639-0,59168-56-8,Methyl 4-amino-5-thiocyanato-o-anisate,methyl 4-amino-2-methoxy-5-thiocyanatobenzoate,COC(=O)c1cc(SC#N)c(N)cc1OC,COC(=O)c1cc(SC#N)c(N)cc1OC,"InChI=1/C10H10N2O3S/c1-14-8-4-7(12)9(16-5-11)3-6(8)10(13)15-2/h3-4H,12H2,1-2H3",C10H10N2O3S,,,,,,IRGMWPMUTWZIIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.022,261-644-8,59178-92-6,6-[(2-methyl-1-oxoallyl)amino]hexanoic acid,6-(methacryloylamino)hexanoic acid,CC(=C)C(=O)NCCCCCC(=O)O,CC(=C)C(=O)NCCCCCC(=O)O,"InChI=1/C10H17NO3/c1-8(2)10(14)11-7-5-3-4-6-9(12)13/h1,3-7H2,2H3,(H,11,14)(H,12,13)",C10H17NO3,,,,,,FSFFIYOYBDBDMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.029,261-652-1,59191-78-5,3-(hydroxymethyl)octan-2-one,3-(hydroxymethyl)octan-2-one,CCCCCC(CO)C(=O)C,CCCCCC(CO)C(=O)C,"InChI=1/C9H18O2/c1-3-4-5-6-9(7-10)8(2)11/h9-10H,3-7H2,1-2H3",C9H18O2,,,,,,XLFYWCDNLLZTIW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.037,261-661-0,59216-17-0,"1-(2-bromoethyl)-2,4-dibromobenzene","2,4-dibromo-1-(2-bromoethyl)benzene",BrCCc1ccc(Br)cc1Br,BrCCc1ccc(Br)cc1Br,"InChI=1/C8H7Br3/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5H,3-4H2",C8H7Br3,,,,,,HXKLFOFTXZZNNA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.043,261-667-3,59225-85-3,"2,4,6-trichlorophenyl acetoacetate","2,4,6-trichlorophenyl 3-oxobutanoate",CC(=O)CC(=O)Oc1c(Cl)cc(Cl)cc1Cl,CC(=O)CC(=O)Oc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C10H7Cl3O3/c1-5(14)2-9(15)16-10-7(12)3-6(11)4-8(10)13/h3-4H,2H2,1H3",C10H7Cl3O3,,,,,,SFXGTKMFWDFCLU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.047,261-672-0,59231-33-3,Isodecyl palmitate,8-methylnonyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C,CCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26(27)28-24-21-18-15-16-19-22-25(2)3/h25H,4-24H2,1-3H3",C26H52O2,,,,,,KUCCCVXLSQTKHH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.943,263-757-8,62916-82-9,Potassium undecanoate,potassium undecanoate,[K+].CCCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCCC(=O)[O-],"InChI=1/C11H22O2.K/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2-10H2,1H3,(H,12,13);/q;+1/p-1",C11H22O2.K,,,,,,NFFKRJOYWMTDBM-UHFFFAOYSA-M,,,,,,,,,,,
100.057.945,263-759-9,62922-46-7,"N-(2,5-dichloropentyl)acetamide","N-(2,5-dichloropentyl)acetamide",CC(=O)NCC(Cl)CCCCl,CC(=O)NCC(Cl)CCCCl,"InChI=1/C7H13Cl2NO/c1-6(11)10-5-7(9)3-2-4-8/h7H,2-5H2,1H3,(H,10,11)",C7H13Cl2NO,,,,,,OARSQJRTKUKHOP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.946,263-760-4,62924-31-6,"(E)-(4-methoxy-2,3,6-trimethylphenyl)-3-buten-2-one","1-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one",COc1cc(C)c(CC(=O)C=C)c(C)c1C,COc1cc(C)c(CC(=O)C=C)c(C)c1C,"InChI=1/C14H18O2/c1-6-12(15)8-13-9(2)7-14(16-5)11(4)10(13)3/h6-7H,1,8H2,2-5H3",C14H18O2,,,,,,VEWGCBYSNCYBAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.963,263-779-8,62984-74-1,1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxoallyl]oxy]ethyl]pyridinium chloride,1-[2-({2-cyano-3-[4-(dimethylamino)phenyl]acryloyl}oxy)ethyl]pyridinium chloride,[Cl-].CN(C)c1ccc(\\C=C(/C#N)\\C(=O)OCC[n+]2ccccc2)cc1,[Cl-].CN(C)c1ccc(\C=C(/C#N)\C(=O)OCC[n+]2ccccc2)cc1,"InChI=1/C19H20N3O2.ClH/c1-21(2)18-8-6-16(7-9-18)14-17(15-20)19(23)24-13-12-22-10-4-3-5-11-22;/h3-11,14H,12-13H2,1-2H3;1H/q+1;/p-1",C19H20N3O2.Cl,,,,,,QSNYFPLOJIHVAH-KLSJZZFUSA-M,,,,,,,,,,,
100.057.971,263-788-7,63007-28-3,2-(but-1-enyl)-2-ethyl-3-phenylpropionaldehyde,2-benzyl-2-ethylhex-3-enal,O=CC(C=CCC)(Cc1ccccc1)CC,O=CC(C=CCC)(Cc1ccccc1)CC,"InChI=1/C15H20O/c1-3-5-11-15(4-2,13-16)12-14-9-7-6-8-10-14/h5-11,13H,3-4,12H2,1-2H3",C15H20O,,,,,,XSPPJSHOBSWMEE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.972,263-789-2,63009-16-5,"2-ethylbutane-1,4-diamine","2-ethylbutane-1,4-diamine",CCC(CN)CCN,CCC(CN)CCN,"InChI=1/C6H16N2/c1-2-6(5-8)3-4-7/h6H,2-5,7-8H2,1H3",C6H16N2,,,,,,XGJHPGPVESLKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.369,265-325-4,65045-87-6,"1-mercapto-2-(4-nonylphenoxy)ethyl hydrogen phosphorodithioate, zinc salt",-,[Zn+2].CCCCCCCCCc1ccc(OCC(S)OP(=O)(S)[S-])cc1,[Zn+2].CCCCCCCCCc1ccc(OCC(S)OP(=O)(S)[S-])cc1,"InChI=1/C17H29O3PS3.Zn/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)19-14-17(22)20-21(18,23)24;/h10-13,17,22H,2-9,14H2,1H3,(H2,18,23,24);/q;+2/p-1",C34H55O4PS2.1/2Zn,,,,,,DISUZFWYXMQJBN-UHFFFAOYSA-M,,,,,,,,,,,
100.059.372,265-329-6,65057-97-8,"2-(dimethoxymethyl)tetrahydro-2,5-dimethoxyfuran","2-(dimethoxymethyl)-2,5-dimethoxytetrahydrofuran",COC(OC)C1(CCC(OC)O1)OC,COC(OC)C1(CCC(OC)O1)OC,"InChI=1/C9H18O5/c1-10-7-5-6-9(13-4,14-7)8(11-2)12-3/h7-8H,5-6H2,1-4H3",C9H18O5,,,,,,UYPVDAPQHYMIRL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.898,268-108-2,68003-12-3,4-[(2-chloro-5-sulphophenyl)azo]benzenediazonium chloride,4-[(2-chloro-5-sulfophenyl)diazenyl]benzenediazonium chloride,[Cl-].Clc2ccc(cc2N=Nc1ccc([N+]#N)cc1)S(O)(=O)=O,[Cl-].Clc2ccc(cc2N=Nc1ccc([N+]#N)cc1)S(O)(=O)=O,"InChI=1/C12H7ClN4O3S.ClH/c13-11-6-5-10(21(18,19)20)7-12(11)17-16-9-3-1-8(15-14)2-4-9;/h1-7H;1H",C12H8ClN4O3S.Cl,,,,,,MKRIEXUTXHLYCR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.162,257-397-0,51762-95-9,"3-(1H-tetrazol-5-yl)-9H-thioxanthen-9-one 10,10-dioxide","3-(1H-tetrazol-5-yl)-9H-thioxanthen-9-one 10,10-dioxide",O=C1c2ccccc2S(=O)(=O)c3cc(ccc13)c4nnn[nH]4,O=C1c2ccccc2S(=O)(=O)c3cc(ccc13)c4nnn[nH]4,"InChI=1/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)",C14H8N4O3S,,,,,,VIDCTSLIEZMQRF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.164,257-399-1,51765-51-6,N-(2-phenoxyphenyl)methanesulphonamide,N-(2-phenoxyphenyl)methanesulfonamide,CS(=O)(=O)Nc1ccccc1Oc2ccccc2,CS(=O)(=O)Nc1ccccc1Oc2ccccc2,"InChI=1/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3",C13H13NO3S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17516,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.164,WSFHNGGYRUTXFN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.166,257-401-0,51767-45-4,"N-(3,5-dichloro-4-hydroxyphenyl)benzenesulphonamide","N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide",Oc1c(Cl)cc(NS(=O)(=O)c2ccccc2)cc1Cl,Oc1c(Cl)cc(NS(=O)(=O)c2ccccc2)cc1Cl,"InChI=1/C12H9Cl2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H",C12H9Cl2NO3S,,,,,,KFPBEVFQCXRYIR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.028,255-049-2,40709-04-4,Methyl (E)-non-6-enoate,methyl non-6-enoate,CC\\C=C\\CCCCC(=O)OC,CC\C=C\CCCCC(=O)OC,"InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5H,3,6-9H2,1-2H3",C10H18O2,,,,,,IAXJWKAHMIYBRY-SNAWJCMRSA-N,,,,,,,,,,,
100.050.030,255-051-3,40716-42-5,"[R-(Z)]-12-hydroxy-N,N-bis(2-hydroxyethyl)-9-octadecenamide","12-hydroxy-N,N-bis(2-hydroxyethyl)octadec-9-enamide",CCCCCCC(O)CC=CCCCCCCCC(=O)N(CCO)CCO,CCCCCCC(O)CC=CCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C22H43NO4/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)23(17-19-24)18-20-25/h9,12,21,24-26H,2-8,10-11,13-20H2,1H3",C22H43NO4,,,,,,PDVQCPFKYPYROG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.037,255-059-7,40738-12-3,2-[(1-oxododecyl)amino]ethanesulphonic acid,2-(dodecanoylamino)ethanesulfonic acid,CCCCCCCCCCCC(=O)NCCS(=O)(=O)O,CCCCCCCCCCCC(=O)NCCS(=O)(=O)O,"InChI=1/C14H29NO4S/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19/h2-13H2,1H3,(H,15,16)(H,17,18,19)",C14H29NO4S,,,,,,KCFRUUYAXCDZNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.038,255-060-2,40739-56-8,"4-chloro-2-cyclohexyl-2,3-dihydro-1,3-dioxo-1H-isoindole-5-sulphonamide","4-chloro-2-cyclohexyl-1,3-dioxoisoindoline-5-sulfonamide",NS(=O)(=O)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1Cl,NS(=O)(=O)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1Cl,"InChI=1/C14H15ClN2O4S/c15-12-10(22(16,20)21)7-6-9-11(12)14(19)17(13(9)18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,16,20,21)",C14H15ClN2O4S,,,,,,MRYBXBVFUWYZEE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.050,255-073-3,40775-86-8,"7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid","7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid",Cc1cc(O)n2nc(nc2n1)C(=O)O,Cc1cc(O)n2nc(nc2n1)C(=O)O,"InChI=1/C7H6N4O3/c1-3-2-4(12)11-7(8-3)9-5(10-11)6(13)14/h2,12H,1H3,(H,13,14)",C7H6N4O3,,,,,,HBGZHONGRRAFMI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.051,255-074-9,40778-16-3,"2-(dimethylamino)-5,6-dimethyl-1H-pyrimidin-4-one","2-(dimethylamino)-5,6-dimethylpyrimidin-4(1H)-one",CN(C)C1=NC(=O)C(=C(C)N1)C,CN(C)C1=NC(=O)C(=C(C)N1)C,"InChI=1/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)",C8H13N3O,,,,,,MUEHLDAHWSCFAG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.054,255-078-0,40783-05-9,"2,2'-(2,5-dichloro-1,4-phenylene)bis(1H-anthra[1,2-d]imidazole-6,11-dione)","2,2'-(2,5-dichlorocyclohexa-2,5-diene-1,4-diylidene)bis(2H-anthra[1,2-d]imidazole-6,11-dione)",ClC1=CC(=C2N=C3C=CC4=C(C(=O)c5ccccc5C4=O)C3=N2)C(=CC1=C6N=C7C=CC8=C(C(=O)c9ccccc9C8=O)C7=N6)Cl,ClC1=CC(=C2N=C3C=CC4=C(C(=O)c5ccccc5C4=O)C3=N2)C(=CC1=C6N=C7C=CC8=C(C(=O)c9ccccc9C8=O)C7=N6)Cl,InChI=1/C36H14Cl2N4O4/c37-23-14-22(36-40-26-12-10-20-28(30(26)42-36)34(46)18-8-4-2-6-16(18)32(20)44)24(38)13-21(23)35-39-25-11-9-19-27(29(25)41-35)33(45)17-7-3-1-5-15(17)31(19)43/h1-14H,C36H16Cl2N4O4,,,,,,MPIVZJKXPROSCS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.056,255-080-1,40785-62-4,"1,3,3a,4,5,6,7,8,9,10,11,13a-dodecahydrocyclododeca[c]furan","1,3,3a,4,5,6,7,8,9,10,11,13a-dodecahydrocyclododeca[c]furan",C1CCCCC2COCC2\\C=C/CCC1,C1CCCCC2COCC2\C=C/CCC1,"InChI=1/C14H24O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h7,9,13-14H,1-6,8,10-12H2",C14H24O,,,,,,QQPBNXSJUXIDLT-CLFYSBASSA-N,,,,,,,,,,,
100.050.058,255-082-2,40789-98-8,3-mercaptobutan-2-one,3-sulfanylbutan-2-one,CC(S)C(=O)C,CC(S)C(=O)C,"InChI=1/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3",C4H8OS,,,,,,XLMPYCGSRHSSSX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.060,255-084-3,40795-59-3,"4,7-diphenyl-1,10-phenanthrolinesulphonic acid","4,7-diphenyl-1,10-phenanthroline-2-sulfonic acid",OS(=O)(=O)c1cc(c2ccccc2)c3ccc4c(ccnc4c3n1)c5ccccc5,OS(=O)(=O)c1cc(c2ccccc2)c3ccc4c(ccnc4c3n1)c5ccccc5,"InChI=1/C24H16N2O3S/c27-30(28,29)22-15-21(17-9-5-2-6-10-17)20-12-11-19-18(16-7-3-1-4-8-16)13-14-25-23(19)24(20)26-22/h1-15H,(H,27,28,29)",C24H16N2O3S,,,,,,MTTXOJBNIMHBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.067,255-092-7,40817-03-6,"[1,4-phenylenebis(methylene)]bis[triphenylphosphonium] dibromide","[1,4-phenylenebis(methylene)]bis(triphenylphosphonium) dibromide",[Br-].[Br-].C(c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1)[P+](c5ccccc5)(c6ccccc6)c7ccccc7,[Br-].[Br-].C(c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1)[P+](c5ccccc5)(c6ccccc6)c7ccccc7,"InChI=1/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2",C44H38P2.2Br,,,,,,ZZQVVCXWFPGKJD-UHFFFAOYSA-L,,,,,,,,,,,
100.050.294,255-342-5,41378-51-2,N-ethyl-N-(2-phenoxyethyl)aniline,N-ethyl-N-(2-phenoxyethyl)aniline,CCN(CCOc1ccccc1)c2ccccc2,CCN(CCOc1ccccc1)c2ccccc2,"InChI=1/C16H19NO/c1-2-17(15-9-5-3-6-10-15)13-14-18-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3",C16H19NO,,,,,,KKHWAYLPKGKYTI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.300,255-348-8,41392-09-0,(dimethylphosphinyl)methyl methacrylate,(dimethylphosphoryl)methyl methacrylate,CC(=C)C(=O)OCP(=O)(C)C,CC(=C)C(=O)OCP(=O)(C)C,"InChI=1/C7H13O3P/c1-6(2)7(8)10-5-11(3,4)9/h1,5H2,2-4H3",C7H13O3P,,,,,,BAEVZTYQZQWKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.302,255-350-9,41395-83-9,Propylene dinonanoate,"propane-1,2-diyl dinonanoate",CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC,CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC,"InChI=1/C21H40O4/c1-4-6-8-10-12-14-16-20(22)24-18-19(3)25-21(23)17-15-13-11-9-7-5-2/h19H,4-18H2,1-3H3",C21H40O4,,,,,,SGRCVQDBWHCTIS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.311,255-360-3,41426-11-3,"Ethyl 1-ethyl-2-(ethylthio)naphtho[1,2-d]thiazolium sulphate","1-ethyl-2-(ethylsulfanyl)naphtho[1,2-d][1,3]thiazol-1-ium ethyl sulfate",CCOS(=O)(=O)[O-].CCSc1sc2ccc3ccccc3c2[n+]1CC,CCOS(=O)(=O)[O-].CCSc1sc2ccc3ccccc3c2[n+]1CC,"InChI=1/C15H16NS2.C2H6O4S/c1-3-16-14-12-8-6-5-7-11(12)9-10-13(14)18-15(16)17-4-2;1-2-6-7(3,4)5/h5-10H,3-4H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C15H16NS2.C2H5O4S,,,,,,IFWXWPGIVCIFJW-UHFFFAOYSA-M,,,,,,,,,,,
100.050.314,255-364-5,41433-81-2,Diethyl hexadecylmalonate,diethyl hexadecylmalonate,CCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC,CCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC,"InChI=1/C23H44O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)26-5-2)23(25)27-6-3/h21H,4-20H2,1-3H3",C23H44O4,,,,,,LPEPQDSUFATBAM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.316,255-366-6,41444-43-3,sec-pentylamine,pentan-2-amine,CCCC(C)N,CCCC(C)N,"InChI=1/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3",C5H13N,,,,,,IGEIPFLJVCPEKU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.318,255-368-7,41448-29-7,"3,7-dimethylnona-2,6-dienal","3,7-dimethylnona-2,6-dienal",CC(CC)=CCCC(C)=CC=O,CC(CC)=CCCC(C)=CC=O,"InChI=1/C11H18O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8-9H,4-5,7H2,1-3H3",C11H18O,,,,,,BCEQJZNLIKMDEU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.319,255-369-2,41450-77-5,3-formyl-2-phenyl-1H-indole-1-propiononitrile,3-(3-formyl-2-phenyl-1H-indol-1-yl)propanenitrile,O=Cc1c(c2ccccc2)n(CCC#N)c3ccccc13,O=Cc1c(c2ccccc2)n(CCC#N)c3ccccc13,"InChI=1/C18H14N2O/c19-11-6-12-20-17-10-5-4-9-15(17)16(13-21)18(20)14-7-2-1-3-8-14/h1-5,7-10,13H,6,12H2",C18H14N2O,,,,,,SUPYBCMCZGDUBS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.322,255-372-9,41450-96-8,"2-(2-ethylhexyl)-1,4-dihydroxyanthraquinone","2-(2-ethylhexyl)-1,4-dihydroxy-9,10-anthraquinone",CCCCC(CC)Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,CCCCC(CC)Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C22H24O4/c1-3-5-8-13(4-2)11-14-12-17(23)18-19(20(14)24)22(26)16-10-7-6-9-15(16)21(18)25/h6-7,9-10,12-13,23-24H,3-5,8,11H2,1-2H3",C22H24O4,,,,,,HLWZIPJMZTXXSF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.331,255-382-3,41461-10-3,"Cholesta-5,7-diene-1a,3ß-diyl diacetate","cholesta-5,7-diene-1,3-diyl diacetate",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](C[C@H](OC(=O)C)[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](C[C@H](OC(=O)C)[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C31H48O4/c1-19(2)9-8-10-20(3)26-13-14-27-25-12-11-23-17-24(34-21(4)32)18-29(35-22(5)33)31(23,7)28(25)15-16-30(26,27)6/h11-12,19-20,24,26-29H,8-10,13-18H2,1-7H3",C31H48O4,,,,,,ZJSVLATWWDIYJS-LNNOUWJJSA-N,,,,,,,,,,,
100.052.095,257-323-7,51622-03-8,Undecyl hydrogen phthalate,2-[(undecyloxy)carbonyl]benzoic acid,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)O,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)O,"InChI=1/C19H28O4/c1-2-3-4-5-6-7-8-9-12-15-23-19(22)17-14-11-10-13-16(17)18(20)21/h10-11,13-14H,2-9,12,15H2,1H3,(H,20,21)",C19H28O4,,,,,,CAZKHBNCZSWFFM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.102,257-331-0,51637-95-7,"N-(2-aminoethyl)-N,N'-dioctylethylenediamine","N-(2-aminoethyl)-N,N'-dioctylethane-1,2-diamine",CCCCCCCCNCCN(CCN)CCCCCCCC,CCCCCCCCNCCN(CCN)CCCCCCCC,"InChI=1/C20H45N3/c1-3-5-7-9-11-13-16-22-17-20-23(19-15-21)18-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3",C20H45N3,,,,,,NPAUMJDWBXKMMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.107,257-336-8,51652-08-5,3-(aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium,3-(3-carbamoylpyridinium-1-yl)propane-1-sulfonate,NC(=O)c1ccc[n+](CCCS(=O)(=O)[O-])c1,NC(=O)c1ccc[n+](CCCS(=O)(=O)[O-])c1,"InChI=1/C9H12N2O4S/c10-9(12)8-3-1-4-11(7-8)5-2-6-16(13,14)15/h1,3-4,7H,2,5-6H2,(H2-,10,12,13,14,15)",C9H12N2O4S,,,,,,XIBSUARVKSGYPL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.110,257-339-4,51658-22-1,"2,4,6-tris[[bis(2-hydroxyethyl)amino]methyl]phenol","2,4,6-tris{[bis(2-hydroxyethyl)amino]methyl}phenol",OCCN(CCO)Cc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1,OCCN(CCO)Cc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1,"InChI=1/C21H39N3O7/c25-7-1-22(2-8-26)15-18-13-19(16-23(3-9-27)4-10-28)21(31)20(14-18)17-24(5-11-29)6-12-30/h13-14,25-31H,1-12,15-17H2",C21H39N3O7,,,,,,XWRUCIJUEHCQDD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.001,258-320-3,53044-59-0,"(1a,4aa,5a,8aß)-decahydronaphthalene-1,5-diol","decahydronaphthalene-1,5-diol",O[C@@H]1CCC[C@H]2[C@H](O)CCC[C@H]12,O[C@@H]1CCC[C@H]2[C@H](O)CCC[C@H]12,"InChI=1/C10H18O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-12H,1-6H2",C10H18O2,,,,,,BABJMFGHXVXNKB-UTINFBMNSA-N,,,,,,,,,,,
100.048.767,253-663-5,37780-79-3,4-[2-(2-benzofuryl)vinyl]benzonitrile,4-[2-(1-benzofuran-2-yl)vinyl]benzonitrile,N#Cc1ccc(C=Cc2oc3ccccc3c2)cc1,N#Cc1ccc(C=Cc2oc3ccccc3c2)cc1,InChI=1/C17H11NO/c18-12-14-7-5-13(6-8-14)9-10-16-11-15-3-1-2-4-17(15)19-16/h1-11H,C17H11NO,,,,,,CXNNRNMUZUHBDI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.770,253-666-1,37784-67-1,Diethyl (3-thienyl)malonate,diethyl 3-thienylmalonate,CCOC(=O)C(C(=O)OCC)c1ccsc1,CCOC(=O)C(C(=O)OCC)c1ccsc1,"InChI=1/C11H14O4S/c1-3-14-10(12)9(11(13)15-4-2)8-5-6-16-7-8/h5-7,9H,3-4H2,1-2H3",C11H14O4S,,,,,,AURROROYQPIDRG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.579,255-656-2,42096-74-2,"1,2,4-trifluoro-3-nitrobenzene","1,2,4-trifluoro-3-nitrobenzene",[O-][N+](=O)c1c(F)ccc(F)c1F,[O-][N+](=O)c1c(F)ccc(F)c1F,InChI=1/C6H2F3NO2/c7-3-1-2-4(8)6(5(3)9)10(11)12/h1-2H,C6H2F3NO2,,,,,,FJIILSCVSZJKCV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.586,255-664-6,42121-92-6,Bromodichlorophenol,"2-bromo-3,4-dichlorophenol",Oc1ccc(Cl)c(Cl)c1Br,Oc1ccc(Cl)c(Cl)c1Br,"InChI=1/C6H3BrCl2O/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H",C6H3BrCl2O,,,,,,GNWKBOXWJIRYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.588,255-666-7,42125-10-0,(Z)-pent-2-en-1-yl acetate,pent-2-en-1-yl acetate,CC\\C=C/COC(=O)C,CC\C=C/COC(=O)C,"InChI=1/C7H12O2/c1-3-4-5-6-9-7(2)8/h4-5H,3,6H2,1-2H3",C7H12O2,,,,,,WGGJTPQHVFOGPN-PLNGDYQASA-N,,,,,,,,,,,
100.050.589,255-667-2,42125-13-3,(Z)-pent-2-enyl butyrate,pent-2-en-1-yl butyrate,CCCC(=O)OC\\C=C/CC,CCCC(=O)OC\C=C/CC,"InChI=1/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,ZZHQHHZVZDBPNY-WAYWQWQTSA-N,,,,,,,,,,,
100.050.591,255-669-3,42125-30-4,(E)-pent-2-enyl butyrate,pent-2-en-1-yl butyrate,CCCC(=O)OC\\C=C\\CC,CCCC(=O)OC\C=C\CC,"InChI=1/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,ZZHQHHZVZDBPNY-AATRIKPKSA-N,,,,,,,,,,,
100.050.595,255-674-0,42131-28-2,Isooctadecyl lactate,16-methylheptadecyl 2-hydroxypropanoate,CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)O,CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)O,"InChI=1/C21H42O3/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-24-21(23)20(3)22/h19-20,22H,4-18H2,1-3H3",C21H42O3,,,,,,RWKSBJVOQGKDFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.597,255-676-1,42137-32-6,"1-ethyl hydrogen 2-(phenylhydrazono)heptane-1,7-dioate",7-ethoxy-7-oxo-6-(phenylhydrazono)heptanoic acid,CCOC(=O)C(=NNc1ccccc1)CCCCC(O)=O,CCOC(=O)C(=NNc1ccccc1)CCCCC(O)=O,"InChI=1/C15H20N2O4/c1-2-21-15(20)13(10-6-7-11-14(18)19)17-16-12-8-4-3-5-9-12/h3-5,8-9,16H,2,6-7,10-11H2,1H3,(H,18,19)",C15H20N2O4,,,,,,HDQLUPPPXZOZBA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.598,255-677-7,42137-88-2,"N,N-bis(2-chloroethyl)-p-toluenesulphonamide","N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)N(CCCl)CCCl,Cc1ccc(cc1)S(=O)(=O)N(CCCl)CCCl,"InChI=1/C11H15Cl2NO2S/c1-10-2-4-11(5-3-10)17(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3",C11H15Cl2NO2S,,,,,,PTVBBIMKLOMGSY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.599,255-678-2,42138-31-8,4-(4-chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile,4-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]piperidine-4-carbonitrile,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C#N)c3ccc(Cl)cc3,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C#N)c3ccc(Cl)cc3,"InChI=1/C19H19ClN2O2S/c1-15-2-8-18(9-3-15)25(23,24)22-12-10-19(14-21,11-13-22)16-4-6-17(20)7-5-16/h2-9H,10-13H2,1H3",C19H19ClN2O2S,,,,,,ZEGYIHGGFOWHNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.601,255-680-3,42144-33-2,3-methylnonanenitrile,3-methylnonanenitrile,CCCCCCC(C)CC#N,CCCCCCC(C)CC#N,"InChI=1/C10H19N/c1-3-4-5-6-7-10(2)8-9-11/h10H,3-8H2,1-2H3",C10H19N,,,,,,FKZSSFLBNYYIDS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.602,255-681-9,42144-78-5,2-chloro-6-ethoxypyridine,2-chloro-6-ethoxypyridine,CCOc1cccc(Cl)n1,CCOc1cccc(Cl)n1,"InChI=1/C7H8ClNO/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3",C7H8ClNO,,,,,,AMSLPXHLKHZWBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.604,255-684-5,42146-13-4,"(1-methylethylidene)bis(2,6-dibromo-4,1-phenylene) bismethacrylate","propane-2,2-diylbis-2,6-dibromo-4,1-phenylene bis(2-methylacrylate)",CC(=C)C(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OC(=O)C(=C)C)c(Br)c2,CC(=C)C(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OC(=O)C(=C)C)c(Br)c2,"InChI=1/C23H20Br4O4/c1-11(2)21(28)30-19-15(24)7-13(8-16(19)25)23(5,6)14-9-17(26)20(18(27)10-14)31-22(29)12(3)4/h7-10H,1,3H2,2,4-6H3",C23H20Br4O4,,,,,,FKRRNHGDZIXAEC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.606,255-686-6,42152-46-5,"Copper trifluoromethanesulphonate, compound with benzene (2:1)","copper trifluoromethanesulphonate, compound with benzene (2:1)",[Cu+].[Cu+].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.c1ccccc1,[Cu+].[Cu+].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.c1ccccc1,"InChI=1/C6H6.2CHF3O3S.2Cu/c1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;;/h1-6H;2*(H,5,6,7);;/q;;;2*+1/p-2",C6H6.2CHF3O3S.2Cu,,,,,,GNXZWVVAAMVOJY-UHFFFAOYSA-L,,,,,,,,,,,
100.061.908,268-119-2,68003-36-1,2-amino-N-ethyl-5-methyl-N-phenylbenzenesulphonamide,2-amino-N-ethyl-5-methyl-N-phenylbenzenesulfonamide,CCN(c1ccccc1)S(=O)(=O)c2cc(C)ccc2N,CCN(c1ccccc1)S(=O)(=O)c2cc(C)ccc2N,"InChI=1/C15H18N2O2S/c1-3-17(13-7-5-4-6-8-13)20(18,19)15-11-12(2)9-10-14(15)16/h4-11H,3,16H2,1-2H3",C15H18N2O2S,,,,,,VEHKICBEAPZSJG-UHFFFAOYSA-N,,,,,,,,,,,
100.060.779,266-877-9,67674-39-9,4-(isobutyl)-1-cyclohexene-1-acetonitrile,(4-isobutylcyclohex-1-en-1-yl)acetonitrile,CC(C)CC1CCC(=CC1)CC#N,CC(C)CC1CCC(=CC1)CC#N,"InChI=1/C12H19N/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h3,10,12H,4-7,9H2,1-2H3",C12H19N,,,,,,YWBFGOAJOZBUED-UHFFFAOYSA-N,,,,,,,,,,,
100.060.786,266-885-2,67674-46-8,"6,6-dimethoxy-2,5,5-trimethylhex-2-ene","6,6-dimethoxy-2,5,5-trimethylhex-2-ene",COC(OC)C(C)(C)CC=C(C)C,COC(OC)C(C)(C)CC=C(C)C,"InChI=1/C11H22O2/c1-9(2)7-8-11(3,4)10(12-5)13-6/h7,10H,8H2,1-6H3",C11H22O2,,,,,,RDHNTAXPFZIMDN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.787,266-886-8,67674-47-9,"(2E,6E)-nona-2,6-dienyl acetate","nona-2,6-dien-1-yl acetate",CC\\C=C\\CC\\C=C\\COC(=O)C,CC\C=C\CC\C=C\COC(=O)C,"InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3",C11H18O2,,,,,,UHONGPVFPQQOSO-KQWYESAVSA-N,,,,,,,,,,,
100.060.790,266-889-4,67674-50-4,4-cyclohexadecen-1-one,cyclohexadec-4-en-1-one,O=C1CCCCCCCCCCC\\C=C\\CC1,O=C1CCCCCCCCCCC\C=C\CC1,"InChI=1/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h8,10H,1-7,9,11-15H2",C16H28O,,,,,,CFIXYAOLNMNXPL-CSKARUKUSA-N,,,,,,,,,,,
100.056.048,261-673-6,59231-34-4,Isodecyl oleate,8-methylnonyl octadec-9-enoate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC(C)C,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h11-12,27H,4-10,13-26H2,1-3H3",C28H54O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10076,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.048,ODMZDMMTKHXXKA-UHFFFAOYSA-N,,,,,,,,,,,
100.056.049,261-674-1,59231-35-5,"Isodecyl 3,5,5-trimethylhexanoate","8-methylnonyl 3,5,5-trimethylhexanoate",CC(C)CCCCCCCOC(=O)CC(C)CC(C)(C)C,CC(C)CCCCCCCOC(=O)CC(C)CC(C)(C)C,"InChI=1/C19H38O2/c1-16(2)12-10-8-7-9-11-13-21-18(20)14-17(3)15-19(4,5)6/h16-17H,7-15H2,1-6H3",C19H38O2,,,,,,KJMXWSCWFWQVEK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.056,261-682-5,59262-64-5,"Tetrasodium 3,3'-[carbonylbis(imino-p-phenyleneazo)]bis[4-amino-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate]","tetrasodium 4-amino-3-[(4-{[(4-{[1-amino-8-hydroxy-7-(phenyldiazenyl)-3,6-disulfonato-2-naphthyl]diazenyl}phenyl)carbamoyl]amino}phenyl)diazenyl]-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c8N=Nc3ccc(cc3)NC(=O)Nc4ccc(cc4)N=Nc5c(N)c7c(cc5S([O-])(=O)=O)cc(c(N=Nc6ccccc6)c7O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c8N=Nc3ccc(cc3)NC(=O)Nc4ccc(cc4)N=Nc5c(N)c7c(cc5S([O-])(=O)=O)cc(c(N=Nc6ccccc6)c7O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C45H34N12O15S4.4Na/c46-37-35-23(21-33(75(67,68)69)41(43(35)58)56-50-27-7-3-1-4-8-27)19-31(73(61,62)63)39(37)54-52-29-15-11-25(12-16-29)48-45(60)49-26-13-17-30(18-14-26)53-55-40-32(74(64,65)66)20-24-22-34(76(70,71)72)42(44(59)36(24)38(40)47)57-51-28-9-5-2-6-10-28;;;;/h1-22,58-59H,46-47H2,(H2,48,49,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4",C45H34N12O15S4.4Na,,,,,,DBKQULPNJJEYMH-UHFFFAOYSA-J,,,,,,,,,,,
100.056.061,261-687-2,59293-67-3,"2,4-dichlorotoluene-a-thiol","(2,4-dichlorophenyl)methanethiol",SCc1ccc(Cl)cc1Cl,SCc1ccc(Cl)cc1Cl,"InChI=1/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2",C7H6Cl2S,,,,,,ZSPXTTVUJDSRNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.062,261-688-8,59297-04-0,"Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","methyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",COS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,COS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,"InChI=1/C11H8N2O4S/c1-17-18(15,16)10-4-2-3-8-7(10)5-6-9(13-12)11(8)14/h2-6H,1H3",C11H8N2O4S,,,,,,LKTWGVXHYIBDGK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.068,261-695-6,59312-73-1,Sodium 5-amino-4-methoxy-2-nitrobenzenesulphonate,sodium 5-amino-4-methoxy-2-nitrobenzenesulfonate,[Na+].COc1cc(c(cc1N)S(=O)(=O)[O-])[N+](=O)[O-],[Na+].COc1cc(c(cc1N)S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C7H8N2O6S.Na/c1-15-6-3-5(9(10)11)7(2-4(6)8)16(12,13)14;/h2-3H,8H2,1H3,(H,12,13,14);/q;+1/p-1",C7H8N2O6S.Na,,,,,,KVJWAYQTZJQCNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.056.069,261-696-1,59313-55-2,Oxosilanol,oxosilanol,O[SiH]=O,O[SiH]=O,"InChI=1/H2O2Si/c1-3-2/h1,3H",H2O2Si,,,,,,NWQAAJGNNDDGRS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.074,261-701-7,59330-91-5,Sodium [(hydroxytetradecyl)thio]acetate,sodium [(1-hydroxytetradecyl)sulfanyl]acetate,[Na+].CCCCCCCCCCCCCC(O)SCC(=O)[O-],[Na+].CCCCCCCCCCCCCC(O)SCC(=O)[O-],"InChI=1/C16H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)20-14-15(17)18;/h16,19H,2-14H2,1H3,(H,17,18);/q;+1/p-1",C16H32O3S.Na,,,,,,AHLKLCUIYGRDPP-UHFFFAOYSA-M,,,,,,,,,,,
100.056.077,261-704-3,59338-85-1,"Methyl 4,5-diamino-o-anisate","methyl 4,5-diamino-2-methoxybenzoate",COC(=O)c1cc(N)c(N)cc1OC,COC(=O)c1cc(N)c(N)cc1OC,"InChI=1/C9H12N2O3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,10-11H2,1-2H3",C9H12N2O3,,,,,,SUSCULWPEGQASI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.070,255-095-3,40824-36-0,"1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethan-1-one","1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)ethanone",CC(=O)C1C2C(CC=C1C)C2(C)C,CC(=O)C1C2C(CC=C1C)C2(C)C,"InChI=1/C12H18O/c1-7-5-6-9-11(12(9,3)4)10(7)8(2)13/h5,9-11H,6H2,1-4H3",C12H18O,,,,,,XCBVDXSSPNIVAO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.073,255-099-5,40835-49-2,m-(3-hydrazino-3-oxopropoxy)benzohydrazide,3-(3-hydrazino-3-oxopropoxy)benzohydrazide,NNC(=O)CCOc1cccc(c1)C(=O)NN,NNC(=O)CCOc1cccc(c1)C(=O)NN,"InChI=1/C10H14N4O3/c11-13-9(15)4-5-17-8-3-1-2-7(6-8)10(16)14-12/h1-3,6H,4-5,11-12H2,(H,13,15)(H,14,16)",C10H14N4O3,,,,,,BQCNQKVFYWCAKM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.385,258-743-3,53751-40-9,Veratryl acetate,"3,4-dimethoxybenzyl acetate",COc1ccc(COC(=O)C)cc1OC,COc1ccc(COC(=O)C)cc1OC,"InChI=1/C11H14O4/c1-8(12)15-7-9-4-5-10(13-2)11(6-9)14-3/h4-6H,7H2,1-3H3",C11H14O4,,,,,,KQWHHDCWLCCRLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.392,258-751-7,53767-93-4,"2,6-dimethyloct-7-en-2-yl acetate","1,1,5-trimethylhept-6-en-1-yl acetate",CC(CCCC(C)(C)OC(=O)C)C=C,CC(CCCC(C)(C)OC(=O)C)C=C,"InChI=1/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,10H,1,7-9H2,2-5H3",C12H22O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18733,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.392,BEARMGATPGLSKG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.396,258-755-9,53771-94-1,(R)-2-(isopropyl)-5-methylcyclohexen-1-yl acetate,2-isopropyl-5-methylcyclohex-1-en-1-yl acetate,CC(C)C1=C(C[C@H](C)CC1)OC(=O)C,CC(C)C1=C(C[C@H](C)CC1)OC(=O)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9H,5-7H2,1-4H3",C12H20O2,,,,,,ACRDFOPYQAGNPS-SECBINFHSA-N,,,,,,,,,,,
100.053.398,258-758-5,53772-83-1,Zuclopenthixol,2-{4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazin-1-yl}ethanol,OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(Cl)cc23,OCCN1CCN(CC1)CCC=C2c4ccccc4Sc3ccc(Cl)cc23,"InChI=1/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2",C22H25ClN2OS,,,,,,WFPIAZLQTJBIFN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.402,258-762-7,53778-71-5,3-chlorobutyronitrile,3-chlorobutanenitrile,CC(Cl)CC#N,CC(Cl)CC#N,"InChI=1/C4H6ClN/c1-4(5)2-3-6/h4H,2H2,1H3",C4H6ClN,,,,,,USFXKDONTUYBAU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.404,258-764-8,53779-39-8,"Decahydro-2,5,5,8a-tetramethylnaphthalen-1-acetaldehyde","(2,5,5,8-tetramethyldecahydronaphthalen-1-yl)acetaldehyde",C[C@H]2CCC(C)(C)C1CCC(C)C(CC=O)C12,C[C@H]2CCC(C)(C)C1CCC(C)C(CC=O)C12,"InChI=1/C16H28O/c1-11-5-6-14-15(13(11)8-10-17)12(2)7-9-16(14,3)4/h10-15H,5-9H2,1-4H3",C16H28O,,,,,,XTGUSEZYTRNELO-KNXMPVSZSA-N,,,,,,,,,,,
100.053.412,258-773-7,53786-43-9,Ethyl 4-aminopiperidine-1-carboxylate monohydrochloride,ethyl 4-aminopiperidine-1-carboxylate hydrochloride,Cl.CCOC(=O)N1CCC(N)CC1,Cl.CCOC(=O)N1CCC(N)CC1,"InChI=1/C8H16N2O2.ClH/c1-2-12-8(11)10-5-3-7(9)4-6-10;/h7H,2-6,9H2,1H3;1H",C8H16N2O2.ClH,,,,,,SVFZMEVHUVJQMO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.413,258-774-2,53786-44-0,Ethyl 4-[(4-chloro-2-nitrophenyl)amino]piperidine-1-carboxylate,ethyl 4-[(4-chloro-2-nitrophenyl)amino]piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)Nc2ccc(Cl)cc2[N+](=O)[O-],CCOC(=O)N1CCC(CC1)Nc2ccc(Cl)cc2[N+](=O)[O-],"InChI=1/C14H18ClN3O4/c1-2-22-14(19)17-7-5-11(6-8-17)16-12-4-3-10(15)9-13(12)18(20)21/h3-4,9,11,16H,2,5-8H2,1H3",C14H18ClN3O4,,,,,,GMDPPHXPURQLKC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.425,258-787-3,53807-64-0,"Phosphonic acid, lead salt, basic",-,[Pb].OP(O)=O,[Pb].OP(O)=O,"InChI=1/H3O3P.Pb.2H/c1-4(2)3;;;/h4H,(H2,1,2,3);;;/q;+4;;/rH3O3P.H2Pb/c1-4(2)3;/h4H,(H2,1,2,3);1H2/q;+4",-,,,,,,XNWGADWXIFQNBX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.429,258-792-0,53810-32-5,Tetraaluminium hexahydroxide tris(sulphate),tetraaluminium hexahydroxide tris(sulphate),[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/4Al.3H2O4S.6H2O/c;;;;3*1-5(2,3)4;;;;;;/h;;;;3*(H2,1,2,3,4);6*1H2/q4*+3;;;;;;;;;/p-12",Al4H6O18S3,,,,,,PXKINGWCGWLGCV-UHFFFAOYSA-B,,,,,,,,,,,
100.048.827,253-728-8,37945-06-5,"[5-chloro-2-[3-(chloromethyl)-4H-1,2,4-triazol-4-yl]phenyl] phenyl ketone","{5-chloro-2-[3-(chloromethyl)-4H-1,2,4-triazol-4-yl]phenyl}(phenyl)methanone",ClCc1nncn1c2ccc(Cl)cc2C(=O)c3ccccc3,ClCc1nncn1c2ccc(Cl)cc2C(=O)c3ccccc3,"InChI=1/C16H11Cl2N3O/c17-9-15-20-19-10-21(15)14-7-6-12(18)8-13(14)16(22)11-4-2-1-3-5-11/h1-8,10H,9H2",C16H11Cl2N3O,,,,,,KBWXJZXYNPXORC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.837,253-739-8,37984-46-6,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)amino]-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(NCCC#N)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(NCCC#N)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H16ClN7O6/c1-10(27)22-13-8-15(21-5-3-4-20)17(32-2)9-14(13)23-24-18-12(19)6-11(25(28)29)7-16(18)26(30)31/h6-9,21H,3,5H2,1-2H3,(H,22,27)",C18H16ClN7O6,,,,,,GMEGSBXYAAPXTD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.847,253-750-8,38028-67-0,Ethoxypyrazine,2-ethoxypyrazine,CCOc1cnccn1,CCOc1cnccn1,"InChI=1/C6H8N2O/c1-2-9-6-5-7-3-4-8-6/h3-5H,2H2,1H3",C6H8N2O,,,,,,ATIUKJHILQVQLE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.005,258-325-0,53050-46-7,"Trisodium 4-amino-3-[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4-[(2,4-diaminophenyl)diazenyl]phenyl}diazenyl)-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Nc5ccc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4O)S([O-])(=O)=O)c(N)c5,[Na+].[Na+].[Na+].Nc5ccc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4O)S([O-])(=O)=O)c(N)c5,"InChI=1/C28H23N9O10S3.3Na/c29-15-1-10-21(20(30)13-15)35-32-16-2-4-17(5-3-16)33-36-26-22(49(42,43)44)11-14-12-23(50(45,46)47)27(28(38)24(14)25(26)31)37-34-18-6-8-19(9-7-18)48(39,40)41;;;/h1-13,38H,29-31H2,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C28H23N9O10S3.3Na,,,,,,UAMHCFKHQOHFEO-UHFFFAOYSA-K,,,,,,,,,,,
100.053.006,258-326-6,53052-03-2,"3-(cyclohexylamino)propane-1,2-diol","3-(cyclohexylamino)propane-1,2-diol",OCC(O)CNC1CCCCC1,OCC(O)CNC1CCCCC1,"InChI=1/C9H19NO2/c11-7-9(12)6-10-8-4-2-1-3-5-8/h8-12H,1-7H2",C9H19NO2,,,,,,YDVGXVAWWFKAKA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.071,253-997-1,38552-36-2,"1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)penta-1,4-dien-3-one","1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)penta-1,4-dien-3-one",CN(C)c2ccc(C=CC(=O)C=Cc1ccc(C)cc1)cc2,CN(C)c2ccc(C=CC(=O)C=Cc1ccc(C)cc1)cc2,"InChI=1/C20H21NO/c1-16-4-6-17(7-5-16)10-14-20(22)15-11-18-8-12-19(13-9-18)21(2)3/h4-15H,1-3H3",C20H21NO,,,,,,NLERDPHRELGZTH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.074,254-000-2,38559-92-1,[4-(phenylmethoxy)phenoxy]acetic acid,[4-(benzyloxy)phenoxy]acetic acid,OC(=O)COc1ccc(OCc2ccccc2)cc1,OC(=O)COc1ccc(OCc2ccccc2)cc1,"InChI=1/C15H14O4/c16-15(17)11-19-14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)",C15H14O4,,,,,,VXMSXBVTUNOSLL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.079,254-006-5,38565-53-6,"(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane","2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C11H5F17O/c12-4(13,1-3-2-29-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,1-2H2",C11H5F17O,,,,,,HMXSIEIEXLGIET-UHFFFAOYSA-N,,,,,,,,,,,
100.049.084,254-011-2,38578-24-4,"5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphorinane","5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphinane",ClP1OCC(CBr)(CBr)CO1,ClP1OCC(CBr)(CBr)CO1,InChI=1/C5H8Br2ClO2P/c6-1-5(2-7)3-9-11(8)10-4-5/h1-4H2,C5H8Br2ClO2P,,,,,,NKWWWOFFAOIWBY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.088,254-015-4,38582-17-1,Cobalt bis(4-cyclohexylbutyrate),cobalt(2+) bis(4-cyclohexylbutanoate),[Co+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,[Co+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2,"InChI=1/2C10H18O2.Co/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Co,,,,,,YBXHPSXGXLGNBR-UHFFFAOYSA-L,,,,,,,,,,,
100.049.096,254-024-3,38586-43-5,"Sodium 4-(4-((4-(hexyloxy)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate","sodium 4-(4-{[4-(hexyloxy)phenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccc(OCCCCCC)cc2)C3=O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccc(OCCCCCC)cc2)C3=O,"InChI=1/C22H26N4O5S.Na/c1-3-4-5-6-15-31-19-11-7-17(8-12-19)23-24-21-16(2)25-26(22(21)27)18-9-13-20(14-10-18)32(28,29)30;/h7-14,21H,3-6,15H2,1-2H3,(H,28,29,30);/q;+1/p-1",C22H26N4O5S.Na,,,,,,IYGHTASGZVDGOP-UHFFFAOYSA-M,,,,,,,,,,,
100.049.102,254-031-1,38597-12-5,7-(a-D-galactopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl alpha-D-galactopyranoside,CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12,CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12,"InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3",C16H18O8,,,,,,YUDPTGPSBJVHCN-CHUNWDLHSA-N,,,,,,,,,,,
100.052.969,258-284-9,52977-50-1,"1-ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1-ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione",CCN1C(=O)N(CO)C(=O)N(CO)C1=O,CCN1C(=O)N(CO)C(=O)N(CO)C1=O,"InChI=1/C7H11N3O5/c1-2-8-5(13)9(3-11)7(15)10(4-12)6(8)14/h11-12H,2-4H2,1H3",C7H11N3O5,,,,,,VDFTZATURBOYAX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.974,258-290-1,53003-10-4,Salinomycin,"2-(6-{5-[2-(5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl}-5-methyltetrahydro-2H-pyran-2-yl)butanoic acid",CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O,CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O,"InChI=1/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)",C42H70O11,,,,,,KQXDHUJYNAXLNZ-XQSDOZFQSA-N,Positive,mzcloud:5177,[M+Na]+;[M+NH4]+,HCD_Averaged,207.13556:265.14104:403.2455:413.2299:431.2404:513.3187:531.3316:755.4705,HighChem,,,,,
100.048.503,253-370-2,37161-74-3,Methyl 3-phenyloxirane-2-carboxylate,methyl 3-phenyloxirane-2-carboxylate,COC(=O)C1OC1c2ccccc2,COC(=O)C1OC1c2ccccc2,"InChI=1/C10H10O3/c1-12-10(11)9-8(13-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3",C10H10O3,,,,,,HAFFKTJSQPQAPC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.610,255-690-8,42165-79-7,3-ethyl-2-[3-(3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5-methylbenzothiazolium iodide,"3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-5-methyl-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4cc(C)ccc4sc3C=C(C)C=C2Sc1ccc(C)cc1N2CC,[I-].CC[n+]3c4cc(C)ccc4sc3C=C(C)C=C2Sc1ccc(C)cc1N2CC,"InChI=1/C24H27N2S2.HI/c1-6-25-19-12-16(3)8-10-21(19)27-23(25)14-18(5)15-24-26(7-2)20-13-17(4)9-11-22(20)28-24;/h8-15H,6-7H2,1-5H3;1H/q+1;/p-1",C24H27N2S2.I,,,,,,PMTWUKYACWLILD-UHFFFAOYSA-M,,,,,,,,,,,
100.050.613,255-693-4,42170-25-2,Bis(isocyanatomethyl)cyclohexane,"1,1-bis(isocyanatomethyl)cyclohexane",O=C=NCC1(CN=C=O)CCCCC1,O=C=NCC1(CN=C=O)CCCCC1,InChI=1/C10H14N2O2/c13-8-11-6-10(7-12-9-14)4-2-1-3-5-10/h1-7H2,C10H14N2O2,,,,,,QXRRAZIZHCWBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.622,255-703-7,42195-41-5,N-[3-[(3-aminopropyl)amino]propyl]stearamide,N-{3-[(3-aminopropyl)amino]propyl}octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCN,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCN,"InChI=1/C24H51N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(28)27-23-18-22-26-21-17-20-25/h26H,2-23,25H2,1H3,(H,27,28)",C24H51N3O,,,,,,BRJUKRUKZLOPBX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.484,253-349-8,37106-97-1,Bentiromide,4-[(N-benzoyl-L-tyrosyl)amino]benzoic acid,OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c3ccccc3)cc1,OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c3ccccc3)cc1,"InChI=1/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)",C23H20N2O5,,,,,,SPPTWHFVYKCNNK-FQEVSTJZSA-N,,,,,,,,,,,
100.048.485,253-350-3,37107-00-9,Ammonium 2-(4-chloro-2-methylphenoxy)propionate,ammonium 2-(4-chloro-2-methylphenoxy)propanoate,[NH4+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],[NH4+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.H3N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);1H3",C10H11ClO3.H3N,,,,,,HBXMFCYHMKBMSB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.014,255-034-0,40677-77-8,Dioleyl adipate,dioctadec-9-en-1-yl adipate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C42H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45-41(43)37-33-34-38-42(44)46-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-40H2,1-2H3",C42H78O4,,,,,,QZULIRBSQUIUTA-CLFAGFIQSA-N,,,,,,,,,,,
100.050.020,255-040-3,40694-53-9,Disodium hexadec-1-enedisulphonate,"disodium hexadec-1-ene-1,1-disulfonate",[Na+].[Na+].CCCCCCCCCCCCCCC=C(S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCC=C(S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H32O6S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(23(17,18)19)24(20,21)22;;/h15H,2-14H2,1H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C16H32O6S2.2Na,,,,,,ANZGLNKQQKIAAA-UHFFFAOYSA-L,,,,,,,,,,,
100.050.024,255-045-0,40702-21-4,Lithium cyclohexanepropionate,lithium 3-cyclohexylpropanoate,[Li+].[O-]C(=O)CCC1CCCCC1,[Li+].[O-]C(=O)CCC1CCCCC1,"InChI=1/C9H16O2.Li/c10-9(11)7-6-8-4-2-1-3-5-8;/h8H,1-7H2,(H,10,11);/q;+1/p-1",C9H16O2.Li,,,,,,LJXRXMUSMGPQJI-UHFFFAOYSA-M,,,,,,,,,,,
100.050.027,255-048-7,40704-04-9,"2-[4-[2-([1,1'-biphenyl]-4-yl)vinyl]phenyl]-5,7-dimethylbenzoxazole","2-[4-(2-biphenyl-4-ylvinyl)phenyl]-5,7-dimethyl-1,3-benzoxazole",Cc1cc(C)c2oc(nc2c1)c3ccc(\\C=C\\c4ccc(cc4)c5ccccc5)cc3,Cc1cc(C)c2oc(nc2c1)c3ccc(\C=C\c4ccc(cc4)c5ccccc5)cc3,"InChI=1/C29H23NO/c1-20-18-21(2)28-27(19-20)30-29(31-28)26-16-12-23(13-17-26)9-8-22-10-14-25(15-11-22)24-6-4-3-5-7-24/h3-19H,1-2H3",C29H23NO,,,,,,PQKKXHAZEZTNFG-CMDGGOBGSA-N,,,,,,,,,,,
100.051.841,257-044-0,51193-78-3,(E)-hept-4-enoic acid,hept-4-enoic acid,CC\\C=C\\CCC(=O)O,CC\C=C\CCC(=O)O,"InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)",C7H12O2,,,,,,KFXPOIKSDYRVKS-ONEGZZNKSA-N,,,,,,,,,,,
100.051.845,257-048-2,51200-87-4,"4,4-dimethyloxazolidine","4,4-dimethyl-1,3-oxazolidine",CC1(C)COCN1,CC1(C)COCN1,"InChI=1/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3",C5H11NO,,,,,,GUQMDNQYMMRJPY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.846,257-049-8,51200-91-0,N-ethyl-1-isopropyl-2-methylcyclohexanecarboxamide,N-ethyl-1-isopropyl-2-methylcyclohexanecarboxamide,CCNC(=O)C1(CCCCC1C)C(C)C,CCNC(=O)C1(CCCCC1C)C(C)C,"InChI=1/C13H25NO/c1-5-14-12(15)13(10(2)3)9-7-6-8-11(13)4/h10-11H,5-9H2,1-4H3,(H,14,15)",C13H25NO,,,,,,BSMQCLSXMDMBAV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.847,257-050-3,51200-93-2,"1-isopropyl-N,N-dimethylcyclohexanecarboxamide","1-isopropyl-N,N-dimethylcyclohexanecarboxamide",CC(C)C1(CCCCC1)C(=O)N(C)C,CC(C)C1(CCCCC1)C(=O)N(C)C,"InChI=1/C12H23NO/c1-10(2)12(11(14)13(3)4)8-6-5-7-9-12/h10H,5-9H2,1-4H3",C12H23NO,,,,,,JXBUDYOESYSPGK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.850,257-054-5,51200-99-8,N-ethyl-1-(1-methylpropyl)cyclohexanecarboxamide,1-sec-butyl-N-ethylcyclohexanecarboxamide,CCNC(=O)C1(CCCCC1)C(C)CC,CCNC(=O)C1(CCCCC1)C(C)CC,"InChI=1/C13H25NO/c1-4-11(3)13(12(15)14-5-2)9-7-6-8-10-13/h11H,4-10H2,1-3H3,(H,14,15)",C13H25NO,,,,,,CGGBZUIEPKRGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.851,257-055-0,51202-86-9,"2,2'-(1,4-phenylene)bis[4-[(4-methoxyphenyl)methylene]oxazol-5(4H)-one]","2,2'-(1,4-phenylene)bis[4-(4-methoxybenzylidene)-1,3-oxazol-5(4H)-one]",O=C2O\\C(=N/C2=Cc1ccc(OC)cc1)c3ccc(cc3)C\\5=N\\C(=Cc4ccc(OC)cc4)C(=O)O/5,O=C2O\C(=N/C2=Cc1ccc(OC)cc1)c3ccc(cc3)C\5=N\C(=Cc4ccc(OC)cc4)C(=O)O/5,"InChI=1/C28H20N2O6/c1-33-21-11-3-17(4-12-21)15-23-27(31)35-25(29-23)19-7-9-20(10-8-19)26-30-24(28(32)36-26)16-18-5-13-22(34-2)14-6-18/h3-16H,1-2H3",C28H20N2O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18335,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.851,XZRFHDOOIZDXFC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.079,261-706-4,59338-90-8,4-amino-5-nitro-o-anisic acid,4-amino-2-methoxy-5-nitrobenzoic acid,COc1cc(N)c(cc1C(=O)O)[N+](=O)[O-],COc1cc(N)c(cc1C(=O)O)[N+](=O)[O-],"InChI=1/C8H8N2O5/c1-15-7-3-5(9)6(10(13)14)2-4(7)8(11)12/h2-3H,9H2,1H3,(H,11,12)",C8H8N2O5,,,,,,AOANPIGDKLHHIC-UHFFFAOYSA-N,,,,,,,,,,,
100.057.997,263-816-8,63059-38-1,Sodium [[(2-amino-2-oxoethyl)thio]thioxomethoxy]acetate,sodium ({[(2-amino-2-oxoethyl)sulfanyl]carbonothioyl}oxy)acetate,[Na+].NC(=O)CSC(=S)OCC(=O)[O-],[Na+].NC(=O)CSC(=S)OCC(=O)[O-],"InChI=1/C5H7NO4S2.Na/c6-3(7)2-12-5(11)10-1-4(8)9;/h1-2H2,(H2,6,7)(H,8,9);/q;+1/p-1",C5H7NO4S2.Na,,,,,,LMPPEGFHFNPIRK-UHFFFAOYSA-M,,,,,,,,,,,
100.057.999,263-818-9,63059-42-7,"5-chloro-2-[2-[(5-chlorobenzothiazol-2-yl)methylene]butylidene]-3-ethyl-2,3-dihydrobenzothiazole","5-chloro-2-{2-[(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazole",Clc1cc2nc(sc2cc1)C=C(CC)C=C4Sc3ccc(Cl)cc3N4CC,Clc1cc2nc(sc2cc1)C=C(CC)C=C4Sc3ccc(Cl)cc3N4CC,"InChI=1/C21H18Cl2N2S2/c1-3-13(9-20-24-16-11-14(22)5-7-18(16)26-20)10-21-25(4-2)17-12-15(23)6-8-19(17)27-21/h5-12H,3-4H2,1-2H3",C21H18Cl2N2S2,,,,,,XGKILEHZEQGFCK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.626,265-608-2,65193-89-7,"1,1'-oxybis(tridecane)","1,1'-oxyditridecane",CCCCCCCCCCCCCOCCCCCCCCCCCCC,CCCCCCCCCCCCCOCCCCCCCCCCCCC,"InChI=1/C26H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C26H54O,,,,,,CSHOPPGMNYULAD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.632,265-615-0,65202-59-7,"4-ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate","4-ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate",CCOC(=O)C1CCN(CC1=O)C(=O)OC,CCOC(=O)C1CCN(CC1=O)C(=O)OC,"InChI=1/C10H15NO5/c1-3-16-9(13)7-4-5-11(6-8(7)12)10(14)15-2/h7H,3-6H2,1-2H3",C10H15NO5,,,,,,PTKLDHADMDDGDN-UHFFFAOYSA-N,,,,,,,,,,,
100.059.638,265-621-3,65208-16-4,"1-hydroxy-4-nitro-N,N-dioctadecylnaphthalene-2-carboxamide","1-hydroxy-4-nitro-N,N-dioctadecyl-2-naphthamide",CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1cc(c2ccccc2c1O)[N+](=O)[O-],CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1cc(c2ccccc2c1O)[N+](=O)[O-],"InChI=1/C47H80N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-48(40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47(51)44-41-45(49(52)53)42-37-33-34-38-43(42)46(44)50/h33-34,37-38,41,50H,3-32,35-36,39-40H2,1-2H3",C47H80N2O4,,,,,,BZOKRYKBBHMPEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.644,265-628-1,65208-31-3,"N-[2-[(2,6-dibromo-4-nitrophenyl)azo]-5-[[2-(2-ethoxyethoxy)ethyl]ethylamino]phenyl]acetamide","N-(2-[(2,6-dibromo-4-nitrophenyl)diazenyl]-5-{[2-(2-ethoxyethoxy)ethyl](ethyl)amino}phenyl)acetamide",Brc2cc(cc(Br)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CCOCCOCC)[N+]([O-])=O,Brc2cc(cc(Br)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CCOCCOCC)[N+]([O-])=O,"InChI=1/C22H27Br2N5O5/c1-4-28(8-9-34-11-10-33-5-2)16-6-7-20(21(14-16)25-15(3)30)26-27-22-18(23)12-17(29(31)32)13-19(22)24/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,25,30)",C22H27Br2N5O5,,,,,,LGKOFTCGDOTCJS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.645,265-629-7,65208-33-5,"4-amino-1-hydroxy-N,N-dioctadecylnaphthalene-2-carboxamide","4-amino-1-hydroxy-N,N-dioctadecyl-2-naphthamide",CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1cc(N)c2ccccc2c1O,CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1cc(N)c2ccccc2c1O,"InChI=1/C47H82N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-49(47(51)44-41-45(48)42-37-33-34-38-43(42)46(44)50)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,41,50H,3-32,35-36,39-40,48H2,1-2H3",C47H82N2O2,,,,,,MNTWOZWDLYSWPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.647,265-631-8,65208-42-6,"3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione, sodium salt",-,[Na+].CCC(C)N1C(=O)NC(=CC1=O)C,[Na+].CCC(C)N1C(=O)NC(=CC1=O)C,"InChI=1/C9H14N2O2.Na/c1-4-7(3)11-8(12)5-6(2)10-9(11)13;/h5,7H,4H2,1-3H3,(H,10,13);/q;+1",C9H14N2O2.Na,,,,,,BESNWHPNXKQCJW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.915,268-127-6,68003-43-0,"N-[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracen-1-yl]-ß-alanine","N-[4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-beta-alanine",OC(=O)CCNc1ccc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13,OC(=O)CCNc1ccc(NC2CCCCC2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C23H24N2O4/c26-19(27)12-13-24-17-10-11-18(25-14-6-2-1-3-7-14)21-20(17)22(28)15-8-4-5-9-16(15)23(21)29/h4-5,8-11,14,24-25H,1-3,6-7,12-13H2,(H,26,27)",C23H24N2O4,,,,,,XYEVKYLQCGMFEH-UHFFFAOYSA-N,,,,,,,,,,,
100.061.946,268-161-1,68015-95-2,2-(chloromethyl)-1-(1-methylpropyl)-4-nitrobenzene,1-sec-butyl-2-(chloromethyl)-4-nitrobenzene,CCC(C)c1ccc(cc1CCl)[N+](=O)[O-],CCC(C)c1ccc(cc1CCl)[N+](=O)[O-],"InChI=1/C11H14ClNO2/c1-3-8(2)11-5-4-10(13(14)15)6-9(11)7-12/h4-6,8H,3,7H2,1-2H3",C11H14ClNO2,,,,,,JMCWLVUFEAUUQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.094,261-723-7,59377-74-1,"1,4,5,6,7,7a-hexahydro-1-[4-(2-morpholinoethoxy)phenyl]-2H-indol-2-one monohydrobromide","1-[4-(2-morpholin-4-ylethoxy)phenyl]-1,4,5,6,7,7a-hexahydro-2H-indol-2-one hydrobromide",Br.O=C1C=C2CCCCC2N1c3ccc(OCCN4CCOCC4)cc3,Br.O=C1C=C2CCCCC2N1c3ccc(OCCN4CCOCC4)cc3,"InChI=1/C20H26N2O3.BrH/c23-20-15-16-3-1-2-4-19(16)22(20)17-5-7-18(8-6-17)25-14-11-21-9-12-24-13-10-21;/h5-8,15,19H,1-4,9-14H2;1H",C20H26N2O3.BrH,,,,,,XHALWZJVWJUCNP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.849,253-752-9,38029-16-2,"3-hydroxypyridine-2,6-dimethanol","2,6-bis(hydroxymethyl)pyridin-3-ol",OCc1ccc(O)c(CO)n1,OCc1ccc(O)c(CO)n1,"InChI=1/C7H9NO3/c9-3-5-1-2-7(11)6(4-10)8-5/h1-2,9-11H,3-4H2",C7H9NO3,,,,,,PFCXYKDOJQERJW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.850,253-753-4,38048-32-7,6-((4-nitrobenzyl)thio)-9-ß-D-ribofuranosylpurine,6-[(4-nitrobenzyl)sulfanyl]-9-beta-D-ribofuranosyl-9H-purine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(SCc4ccc(cc4)[N+](=O)[O-])ncnc23,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(SCc4ccc(cc4)[N+](=O)[O-])ncnc23,"InChI=1/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2",C17H17N5O6S,,,,,,DYCJFJRCWPVDHY-LSCFUAHRSA-N,,,,,,,,,,,
100.048.856,253-760-2,38051-10-4,"2,2-bis(chloromethyl)trimethylene bis(bis(2-chloroethyl)phosphate)","2,2-bis(chloromethyl)propane-1,3-diyl tetrakis(2-chloroethyl) bis(phosphate)",ClCCOP(=O)(OCCCl)OCC(CCl)(CCl)COP(=O)(OCCCl)OCCCl,ClCCOP(=O)(OCCCl)OCC(CCl)(CCl)COP(=O)(OCCCl)OCCCl,"InChI=1/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2",C13H24Cl6O8P2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13748,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.856,ZGHUDSLVQAGWEY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.864,253-769-1,38063-96-6,"1-(1,3-benzodioxol-5-ylmethyl)piperazine dihydrochloride","1-(1,3-benzodioxol-5-ylmethyl)piperazine dihydrochloride",Cl.Cl.C(N1CCNCC1)c2ccc3OCOc3c2,Cl.Cl.C(N1CCNCC1)c2ccc3OCOc3c2,"InChI=1/C12H16N2O2.2ClH/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14;;/h1-2,7,13H,3-6,8-9H2;2*1H",C12H16N2O2.2ClH,,,,,,GLQHKFNNJILFTF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.183,257-419-9,51787-79-2,"1,1'-(4-iodobutylidene)bis[4-fluorobenzene]","1,1'-(4-iodobutane-1,1-diyl)bis(4-fluorobenzene)",Fc1ccc(cc1)C(CCCI)c2ccc(F)cc2,Fc1ccc(cc1)C(CCCI)c2ccc(F)cc2,"InChI=1/C16H15F2I/c17-14-7-3-12(4-8-14)16(2-1-11-19)13-5-9-15(18)10-6-13/h3-10,16H,1-2,11H2",C16H15F2I,,,,,,OZMORHVDUHRQLL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.191,257-428-8,51799-69-0,"3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-3H-benzoselenazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethylbenzoselenazolium bromide","3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoselenazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-5,6-dimethyl-1,3-benzoselenazol-3-ium bromide",[Br-].CC[n+]3c4cc(C)c(C)cc4[se]c3C=C(C)C=C2[Se]c1cc(C)c(C)cc1N2CC,[Br-].CC[n+]3c4cc(C)c(C)cc4[se]c3C=C(C)C=C2[Se]c1cc(C)c(C)cc1N2CC,-,C26H31N2Se2.Br,,,,,,AFDYKXLSOHPOJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.052.196,257-434-0,51806-23-6,Dimethyl (3-oxo-2-pentylcyclopentyl)malonate,dimethyl (3-oxo-2-pentylcyclopentyl)malonate,CCCCCC1C(CCC1=O)C(C(=O)OC)C(=O)OC,CCCCCC1C(CCC1=O)C(C(=O)OC)C(=O)OC,"InChI=1/C15H24O5/c1-4-5-6-7-10-11(8-9-12(10)16)13(14(17)19-2)15(18)20-3/h10-11,13H,4-9H2,1-3H3",C15H24O5,,,,,,ROZSFNKSMIZYLM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.207,257-446-6,51818-55-4,"Neodecanoic acid, iron salt","iron(2+) bis(3,3,5,5-tetramethylhexanoate)",[Fe+2].CC(C)(CC(C)(C)C)CC([O-])=O.CC(C)(C)CC(C)(C)CC([O-])=O,[Fe+2].CC(C)(CC(C)(C)C)CC([O-])=O.CC(C)(C)CC(C)(C)CC([O-])=O,"InChI=1/2C10H20O2.Fe/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",C10H20O2.xFe,,,,,,YSOHAGICRLOIBY-UHFFFAOYSA-L,,,,,,,,,,,
100.052.209,257-448-7,51818-85-0,"[6R-[6a,7ß(R*)]]-3-(acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",3-(acetoxymethyl)-7-{[hydroxy(phenyl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C(O)c3ccccc3)C2=O)C(=O)O,CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C(O)c3ccccc3)C2=O)C(=O)O,"InChI=1/C18H18N2O7S/c1-9(21)27-7-11-8-28-17-12(16(24)20(17)13(11)18(25)26)19-15(23)14(22)10-5-3-2-4-6-10/h2-6,12,14,17,22H,7-8H2,1H3,(H,19,23)(H,25,26)",C18H18N2O7S,,,,,,CNAGMNMBHMQZPF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.210,257-449-2,51821-29-5,Disodium hydrogen sulphonatophthalate,disodium hydrogen 3-sulfonatophthalate,[Na+].[Na+].[O-]C(=O)c1cccc(c1C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)c1cccc(c1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C8H6O7S.2Na/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;/q;2*+1/p-3",C8H6O7S.2Na,,,,,,BCGXFGYEIOZHET-UHFFFAOYSA-K,,,,,,,,,,,
100.050.074,255-100-9,40835-52-7,p-(3-hydrazino-3-oxopropoxy)benzohydrazide,4-(3-hydrazino-3-oxopropoxy)benzohydrazide,NNC(=O)CCOc1ccc(cc1)C(=O)NN,NNC(=O)CCOc1ccc(cc1)C(=O)NN,"InChI=1/C10H14N4O3/c11-13-9(15)5-6-17-8-3-1-7(2-4-8)10(16)14-12/h1-4H,5-6,11-12H2,(H,13,15)(H,14,16)",C10H14N4O3,,,,,,JLZMCVVHWMNZOF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.075,255-101-4,40835-96-9,Pyrimidin-2-ylaminehydrobromide sesquihydrate,1H-perimidin-2(3H)-imine,N=C1Nc2cccc3cccc(N1)c23,N=C1Nc2cccc3cccc(N1)c23,"InChI=1/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)",C11H9N3.BrH,,,,,,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.077,255-104-0,40842-68-0,"2-[[(4-methoxyphenyl)azo]methylene]-1,3,3-trimethylindoline","2-{[(4-methoxyphenyl)diazenyl]methylene}-1,3,3-trimethylindoline",COc1ccc(cc1)N=NC=C3N(C)c2ccccc2C3(C)C,COc1ccc(cc1)N=NC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C19H21N3O/c1-19(2)16-7-5-6-8-17(16)22(3)18(19)13-20-21-14-9-11-15(23-4)12-10-14/h5-13H,1-4H3",C19H21N3O,,,,,,UDYOHMGOZUXHFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.082,255-109-8,40851-64-7,[2-(azidomethyl)phenyl]acetic acid,[2-(azidomethyl)phenyl]acetic acid,OC(=O)Cc1ccccc1CN=[N+]=[N-],OC(=O)Cc1ccccc1CN=[N+]=[N-],"InChI=1/C9H9N3O2/c10-12-11-6-8-4-2-1-3-7(8)5-9(13)14/h1-4H,5-6H2,(H,13,14)",C9H9N3O2,,,,,,KVHOGDSCPNRSLD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.508,253-376-5,37171-61-2,5-bromo-7-iodoquinolin-8-ol,5-bromo-7-iodoquinolin-8-ol,Oc1c(I)cc(Br)c2cccnc12,Oc1c(I)cc(Br)c2cccnc12,"InChI=1/C9H5BrINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",C9H5BrINO,,,,,,IMYWOQVNTHOMNH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.509,253-377-0,37172-02-4,2-(1-methylpropyl)-1-vinylcyclohexyl acetate,2-sec-butyl-1-vinylcyclohexyl acetate,CCC(C)C1CCCCC1(OC(=O)C)C=C,CCC(C)C1CCCCC1(OC(=O)C)C=C,"InChI=1/C14H24O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h6,11,13H,2,5,7-10H2,1,3-4H3",C14H24O2,,,,,,KOSQMCNVEGXSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.336,255-388-6,41480-05-1,Phenyl o-nitrobenzenesulphonate,phenyl 2-nitrobenzenesulfonate,[O-][N+](=O)c1ccccc1S(=O)(=O)Oc2ccccc2,[O-][N+](=O)c1ccccc1S(=O)(=O)Oc2ccccc2,"InChI=1/C12H9NO5S/c14-13(15)11-8-4-5-9-12(11)19(16,17)18-10-6-2-1-3-7-10/h1-9H",C12H9NO5S,,,,,,PAWIDEIFQKJVBG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.344,255-397-5,41489-05-8,"5-oxo-DL-proline, compound with tetradecyl 3-phenyl-L-alaninate (1:1)",5-oxo-L-proline - tetradecyl L-phenylalaninate (1:1),CCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccccc1.OC(=O)[C@@H]2CCC(=O)N2,CCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccccc1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C23H39NO2.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26-23(25)22(24)20-21-17-14-13-15-18-21;7-4-2-1-3(6-4)5(8)9/h13-15,17-18,22H,2-12,16,19-20,24H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C23H39NO2.C5H7NO3,,,,,,POHUGFHPMCAEQL-KGOIHYBNSA-N,,,,,,,,,,,
100.050.347,255-401-5,41489-11-6,"5-oxo-DL-proline, compound with tetradecyl DL-isoleucinate (1:1)",5-oxo-L-proline - tetradecyl L-isoleucinate (1:1),CCCCCCCCCCCCCCOC(=O)[C@@H](N)C(C)CC.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCOC(=O)[C@@H](N)C(C)CC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C20H41NO2.C5H7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)19(21)18(3)5-2;7-4-2-1-3(6-4)5(8)9/h18-19H,4-17,21H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C20H41NO2.C5H7NO3,,,,,,HXZNEFFACRPRLW-VLNYWYQMSA-N,,,,,,,,,,,
100.050.350,255-404-1,41489-30-9,"5-oxo-DL-proline, compound with ethyl N2-stearoyl-L-argininate (1:1)",5-oxo-L-proline - ethyl N~2~-stearoyl-L-argininate (1:1),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C26H52N4O3.C5H7NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(31)30-23(25(32)33-4-2)20-19-22-29-26(27)28;7-4-2-1-3(6-4)5(8)9/h23H,3-22H2,1-2H3,(H,30,31)(H4,27,28,29);3H,1-2H2,(H,6,7)(H,8,9)",C26H52N4O3.C5H7NO3,,,,,,QWQUUGMAZJAGQS-WOVQIJIYSA-N,,,,,,,,,,,
100.050.353,255-407-8,41494-71-7,Sodium 3-[[ethyl-m-tolyl)amino]methyl]benzenesulphonate,sodium 3-{[ethyl(3-methylphenyl)amino]methyl}benzenesulfonate,CCN(Cc1cccc(c1)S(=O)(=O)O[Na])c2cccc(C)c2,CCN(Cc1cccc(c1)S(=O)(=O)O[Na])c2cccc(C)c2,"InChI=1/C16H19NO3S.Na/c1-3-17(15-8-4-6-13(2)10-15)12-14-7-5-9-16(11-14)21(18,19)20;/h4-11H,3,12H2,1-2H3,(H,18,19,20);/q;+1/p-1/rC16H18NNaO3S/c1-3-17(15-8-4-6-13(2)10-15)12-14-7-5-9-16(11-14)22(19,20)21-18/h4-11H,3,12H2,1-2H3",C16H19NO3S.Na,,,,,,TZNBPCKDSSLXHB-UHFFFAOYSA-M,,,,,,,,,,,
100.050.359,255-414-6,41503-58-6,3-methyl-2-[3-(3-methyl-3H-benzoxazol-2-ylidene)prop-1-enyl]benzoxazolium p-toluenesulphonate,"3-methyl-2-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.C[n+]3c4ccccc4oc3C=CC=C2Oc1ccccc1N2C,[O-]S(=O)(=O)c1ccc(C)cc1.C[n+]3c4ccccc4oc3C=CC=C2Oc1ccccc1N2C,"InChI=1/C19H17N2O2.C7H8O3S/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C19H17N2O2.C7H7O3S,,,,,,YWXXFCTUEZUPQE-UHFFFAOYSA-M,,,,,,,,,,,
100.050.363,255-418-8,41504-42-1,3-allyl-5-[(3-ethyl-3H-benzoxazol-2-ylidene)ethylidene]-1-methyl-2-thioxoimidazolidin-4-one,"3-allyl-5-[2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-1-methyl-2-thioxoimidazolidin-4-one",O=C3N(CC=C)C(=S)N(C)C3=CC=C2Oc1ccccc1N2CC,O=C3N(CC=C)C(=S)N(C)C3=CC=C2Oc1ccccc1N2CC,"InChI=1/C18H19N3O2S/c1-4-12-21-17(22)14(19(3)18(21)24)10-11-16-20(5-2)13-8-6-7-9-15(13)23-16/h4,6-11H,1,5,12H2,2-3H3",C18H19N3O2S,,,,,,NQIIEHSSQQTWHL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.365,255-420-9,41507-35-1,3-thenoyl chloride,thiophene-3-carbonyl chloride,ClC(=O)c1ccsc1,ClC(=O)c1ccsc1,InChI=1/C5H3ClOS/c6-5(7)4-1-2-8-3-4/h1-3H,C5H3ClOS,,,,,,QTWBEVAYYDZLQL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.371,255-427-7,41526-21-0,N-[4-bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide,N-[4-bromo-2-(pyridin-2-ylcarbonyl)phenyl]-2-chloroacetamide,ClCC(=O)Nc1ccc(Br)cc1C(=O)c2ccccn2,ClCC(=O)Nc1ccc(Br)cc1C(=O)c2ccccn2,"InChI=1/C14H10BrClN2O2/c15-9-4-5-11(18-13(19)8-16)10(7-9)14(20)12-3-1-2-6-17-12/h1-7H,8H2,(H,18,19)",C14H10BrClN2O2,,,,,,LYISZEZBKBGONS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.374,255-430-3,41538-78-7,"2-[[(4-amino-2,5-dichlorophenyl)sulphonyl]amino]ethanesulphonic acid","2-{[(4-amino-2,5-dichlorophenyl)sulfonyl]amino}ethanesulfonic acid",Nc1cc(Cl)c(cc1Cl)S(=O)(=O)NCCS(=O)(=O)O,Nc1cc(Cl)c(cc1Cl)S(=O)(=O)NCCS(=O)(=O)O,"InChI=1/C8H10Cl2N2O5S2/c9-5-4-8(6(10)3-7(5)11)19(16,17)12-1-2-18(13,14)15/h3-4,12H,1-2,11H2,(H,13,14,15)",C8H10Cl2N2O5S2,,,,,,OCKRQFFXSXLNBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.852,257-056-6,51206-97-4,Sodium N-methylacetamidate,sodium acetyl(methyl)azanide,CN([Na])C(=O)C,CN([Na])C(=O)C,"InChI=1/C3H7NO.Na/c1-3(5)4-2;/h1-2H3,(H,4,5);/q;+1/p-1/rC3H6NNaO/c1-3(6)4(2)5/h1-2H3",C3H7NO.Na,,,,,,KXFIQNJUJQCJLY-UHFFFAOYSA-M,,,,,,,,,,,
100.051.857,257-061-3,51219-00-2,2-ethyl-N-(2-methoxyisopropyl)-6-methylaniline,2-ethyl-N-(2-methoxy-1-methylethyl)-6-methylaniline,CCc1cccc(C)c1NC(C)COC,CCc1cccc(C)c1NC(C)COC,"InChI=1/C13H21NO/c1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3",C13H21NO,,,,,,YXWIRQHVEQIJOV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.861,257-066-0,51222-18-5,Nickel acrylate,nickel(2+) diacrylate,[Ni+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Ni+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Ni/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.xNi,,,,,,QFVGCVZHAQQIMT-UHFFFAOYSA-L,,,,,,,,,,,
100.051.872,257-078-6,51244-42-9,"6-chloro-4-[2-(diethylamino)ethyl]-2H-1,4-benzoxazin-3(4H)-one monohydrochloride","6-chloro-4-[2-(diethylamino)ethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride",Cl.CCN(CC)CCN1C(=O)COc2ccc(Cl)cc12,Cl.CCN(CC)CCN1C(=O)COc2ccc(Cl)cc12,"InChI=1/C14H19ClN2O2.ClH/c1-3-16(4-2)7-8-17-12-9-11(15)5-6-13(12)19-10-14(17)18;/h5-6,9H,3-4,7-8,10H2,1-2H3;1H",C14H19ClN2O2.ClH,,,,,,WAIXCVQVKNMSPB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.376,258-733-9,53735-71-0,"(3ß,5ß,16ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide 16-acetate","16-acetoxy-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide",C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2,"InChI=1/C31H46O9/c1-16-28(35)23(33)13-26(38-16)40-20-7-9-29(3)19(12-20)5-6-22-21(29)8-10-30(4)27(18-11-25(34)37-15-18)24(39-17(2)32)14-31(22,30)36/h11,16,19-24,26-28,33,35-36H,5-10,12-15H2,1-4H3",C31H46O9,,,,,,QWTDCDSWAVIWER-DVZRJHCKSA-N,,,,,,,,,,,
100.053.379,258-737-0,53736-45-1,"[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]cyanamide","[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]cyanamide",CCNc1nc(Cl)nc(NC#N)n1,CCNc1nc(Cl)nc(NC#N)n1,"InChI=1/C6H7ClN6/c1-2-9-5-11-4(7)12-6(13-5)10-3-8/h2H2,1H3,(H2,9,10,11,12,13)",C6H7ClN6,,,,,,QJIYJRADJWFSDW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.380,258-738-6,53742-07-7,"Nonachloro-1,1'-biphenyl","2,2',3,3',4,4',5,5',6-nonachlorobiphenyl",Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,InChI=1/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H,C12HCl9,,,,,,JFIMDKGRGPNPRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.383,258-741-2,53745-18-9,Pyrimidine-1-thiol,"1-sulfanyl-1,2-dihydropyrimidine",SN1CN=CC=C1,SN1CN=CC=C1,"InChI=1/C4H6N2S/c7-6-3-1-2-5-4-6/h1-3,7H,4H2",C4H4N2S,,,,,,ALPDHWCEKRPBDV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.778,253-675-0,37811-72-6,Isobutyl laurate,isobutyl laurate,CCCCCCCCCCCC(=O)OCC(C)C,CCCCCCCCCCCC(=O)OCC(C)C,"InChI=1/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3",C16H32O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18489,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.778,SZFOMJOELAAHAF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.780,253-677-1,37822-76-7,Methyl nonenoate,methyl non-2-enoate,COC(=O)C=CCCCCCC,COC(=O)C=CCCCCCC,"InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3",C10H18O2,,,,,,ZWNPUELCBZVMDA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.782,253-679-2,37832-34-1,"1,4-bis(dimethoxymethyl)benzene","1,4-bis(dimethoxymethyl)benzene",COC(OC)c1ccc(cc1)C(OC)OC,COC(OC)c1ccc(cc1)C(OC)OC,"InChI=1/C12H18O4/c1-13-11(14-2)9-5-7-10(8-6-9)12(15-3)16-4/h5-8,11-12H,1-4H3",C12H18O4,,,,,,BICKDMSEOVJSQC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.783,253-680-8,37832-42-1,Anilinium dihydrogen phosphate,anilinium dihydrogen phosphate,[NH3+]c1ccccc1.[O-]P(=O)([O-])[O-],[NH3+]c1ccccc1.[O-]P(=O)([O-])[O-],"InChI=1/C6H7N.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H3,1,2,3,4)/p-2",C6H7N.H3O4P,,,,,,JAZCSWFKVAHBLR-UHFFFAOYSA-L,,,,,,,,,,,
100.048.787,253-685-5,37837-44-8,Methyl [(phenylmethylene)amino]benzoate,methyl 2-(benzylideneamino)benzoate,COC(=O)c2ccccc2N=Cc1ccccc1,COC(=O)c2ccccc2N=Cc1ccccc1,"InChI=1/C15H13NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-11H,1H3",C15H13NO2,,,,,,ZCFRWOFFFLZLDU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.796,253-694-4,37855-92-8,Azanator,"5-(1-methylpiperidin-4-ylidene)-5H-chromeno[2,3-b]pyridine",CN1CCC(=C2c3ccccc3Oc4ncccc24)CC1,CN1CCC(=C2c3ccccc3Oc4ncccc24)CC1,"InChI=1/C18H18N2O/c1-20-11-8-13(9-12-20)17-14-5-2-3-7-16(14)21-18-15(17)6-4-10-19-18/h2-7,10H,8-9,11-12H2,1H3",C18H18N2O,,,,,,ALIOEEFZPKWPAV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.799,253-698-6,37881-62-2,Octafluoroadipoyl difluoride,octafluorohexanedioyl difluoride,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)F,"InChI=1/C6F10O2/c7-1(17)3(9,10)5(13,14)6(15,16)4(11,12)2(8)18",C6F10O2,,,,,,FDGCJTUAVVJFMB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.800,253-699-1,37882-55-6,trans-2-ethylcyclopropanemethanol,(2-ethylcyclopropyl)methanol,CCC1CC1CO,CCC1CC1CO,"InChI=1/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3",C6H12O,,,,,,BGKKZLRPGJYFIP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.101,261-731-0,59387-91-6,"2-fluoro-1,3-dimethylpyridinium tosylate","2-fluoro-1,3-dimethylpyridinium 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc[n+](C)c2F,Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc[n+](C)c2F,"InChI=1/C7H9FN.C7H8O3S/c1-6-4-3-5-9(2)7(6)8;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C7H9FN.C7H7O3S,,,,,,HXUOPSAHPZTNGS-UHFFFAOYSA-M,,,,,,,,,,,
100.056.103,261-733-1,59396-50-8,4-fluoro-3-methylphenyl 4-fluorophenyl ketone,(4-fluoro-3-methylphenyl)(4-fluorophenyl)methanone,Cc1cc(ccc1F)C(=O)c2ccc(F)cc2,Cc1cc(ccc1F)C(=O)c2ccc(F)cc2,"InChI=1/C14H10F2O/c1-9-8-11(4-7-13(9)16)14(17)10-2-5-12(15)6-3-10/h2-8H,1H3",C14H10F2O,,,,,,OLLWPGBBYZXGIB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.105,261-735-2,59400-09-8,"2-(hydroxymethyl)-2-[[(1-oxooctyl)oxy]methyl]propane-1,3-diyl dioctanoate","3-hydroxy-2,2-bis[(octanoyloxy)methyl]propyl octanoate (non-preferred name)",CCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,CCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,"InChI=1/C29H54O7/c1-4-7-10-13-16-19-26(31)34-23-29(22-30,24-35-27(32)20-17-14-11-8-5-2)25-36-28(33)21-18-15-12-9-6-3/h30H,4-25H2,1-3H3",C29H54O7,,,,,,DXUVYLAXKZHXPW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.107,261-737-3,59404-75-0,"5-oxo-DL-proline, compound with dodecyl DL-alaninate (1:1)",5-oxo-L-proline - dodecyl L-alaninate (1:1),CCCCCCCCCCCCOC(=O)[C@H](C)N.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCOC(=O)[C@H](C)N.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C15H31NO2.C5H7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16;7-4-2-1-3(6-4)5(8)9/h14H,3-13,16H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C15H31NO2.C5H7NO3,,,,,,SUYMVTQKEZOUKS-NFMXPRCASA-N,,,,,,,,,,,
100.056.114,261-745-7,59410-26-3,"N-ethyl-2-isopropyl-2,4-dimethylvaleramide","N-ethyl-2-isopropyl-2,4-dimethylpentanamide",CCNC(=O)C(C)(CC(C)C)C(C)C,CCNC(=O)C(C)(CC(C)C)C(C)C,"InChI=1/C12H25NO/c1-7-13-11(14)12(6,10(4)5)8-9(2)3/h9-10H,7-8H2,1-6H3,(H,13,14)",C12H25NO,,,,,,TXZSLZLHRVGMMP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.115,261-746-2,59410-27-4,"2-sec-butyl-N-ethyl-2,3-dimethylvaleramide","2-sec-butyl-N-ethyl-2,3-dimethylpentanamide",CCNC(=O)C(C)(C(C)CC)C(C)CC,CCNC(=O)C(C)(C(C)CC)C(C)CC,"InChI=1/C13H27NO/c1-7-10(4)13(6,11(5)8-2)12(15)14-9-3/h10-11H,7-9H2,1-6H3,(H,14,15)",C13H27NO,,,,,,MDYMPPDUOKNKEI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.117,261-748-3,59410-29-6,"N-ethyl-2,2,4-trimethylvaleramide","N-ethyl-2,2,4-trimethylpentanamide",CCNC(=O)C(C)(C)CC(C)C,CCNC(=O)C(C)(C)CC(C)C,"InChI=1/C10H21NO/c1-6-11-9(12)10(4,5)7-8(2)3/h8H,6-7H2,1-5H3,(H,11,12)",C10H21NO,,,,,,SKTXMQIOGATBLS-UHFFFAOYSA-N,,,,,,,,,,,
100.056.122,261-754-6,59415-01-9,"Ethyl 2,2-dimethyloctanoate","ethyl 2,2-dimethyloctanoate",CCCCCCC(C)(C)C(=O)OCC,CCCCCCC(C)(C)C(=O)OCC,"InChI=1/C12H24O2/c1-5-7-8-9-10-12(3,4)11(13)14-6-2/h5-10H2,1-4H3",C12H24O2,,,,,,SDPOPABRGIAPNC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.124,261-756-7,59429-75-3,"8-chloro-3,4-dihydro-5-methoxy-4-oxo-2H-1-benzothiopyran-2-acetic acid","(8-chloro-5-methoxy-4-oxo-3,4-dihydro-2H-thiochromen-2-yl)acetic acid",COc1ccc(Cl)c2SC(CC(=O)O)CC(=O)c12,COc1ccc(Cl)c2SC(CC(=O)O)CC(=O)c12,"InChI=1/C12H11ClO4S/c1-17-9-3-2-7(13)12-11(9)8(14)4-6(18-12)5-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)",C12H11ClO4S,,,,,,YDUNODYKUBLLTG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.750,263-545-5,62439-41-2,"6-methoxy-2,6-dimethylheptan-1-al","6-methoxy-2,6-dimethylheptanal",COC(C)(C)CCCC(C)C=O,COC(C)(C)CCCC(C)C=O,"InChI=1/C10H20O2/c1-9(8-11)6-5-7-10(2,3)12-4/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,QMXBURPYNWBMJR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.751,263-546-0,62441-54-7,"N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitro-6-(trifluoromethyl)aniline","N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitro-6-(trifluoromethyl)aniline",[O-][N+](=O)c1cc(c(Nc2cc(ccc2Cl)C(F)(F)F)c(c1)C(F)(F)F)[N+](=O)[O-],[O-][N+](=O)c1cc(c(Nc2cc(ccc2Cl)C(F)(F)F)c(c1)C(F)(F)F)[N+](=O)[O-],"InChI=1/C14H6ClF6N3O4/c15-9-2-1-6(13(16,17)18)3-10(9)22-12-8(14(19,20)21)4-7(23(25)26)5-11(12)24(27)28/h1-5,22H",C14H6ClF6N3O4,,,,,,FVJQBZVCJVMBIP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.756,263-551-8,62454-83-5,3-[(p-nitrophenyl)hydrazono]butan-2-one oxime,3-[(4-nitrophenyl)hydrazono]butan-2-one oxime,[O-][N+](=O)c1ccc(NN=C(C)C(C)=NO)cc1,[O-][N+](=O)c1ccc(NN=C(C)C(C)=NO)cc1,"InChI=1/C10H12N4O3/c1-7(8(2)13-15)11-12-9-3-5-10(6-4-9)14(16)17/h3-6,12,15H,1-2H3",C10H12N4O3,,,,,,FOJBDPWRVOUZOL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.759,263-554-4,62470-85-3,[2-(diethylamino)ethyl]dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride hydrochloride,"2-(diethylamino)-N-[2-(methacryloyloxy)ethyl]-N,N-dimethylethanaminium chloride hydrochloride",Cl.[Cl-].CCN(CC)CC[N+](C)(C)CCOC(=O)C(=C)C,Cl.[Cl-].CCN(CC)CC[N+](C)(C)CCOC(=O)C(=C)C,"InChI=1/C14H29N2O2.2ClH/c1-7-15(8-2)9-10-16(5,6)11-12-18-14(17)13(3)4;;/h3,7-12H2,1-2,4-6H3;2*1H/q+1;;/p-1",C14H29N2O2.ClH.Cl,,,,,,USPDESVXTPIZKD-UHFFFAOYSA-M,,,,,,,,,,,
100.057.760,263-556-5,62471-07-2,N6-(1-oxotetradecyl)-L-lysine,N~6~-tetradecanoyl-L-lysine,CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,"InChI=1/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)",C20H40N2O3,,,,,,XTLFOGNEQSPWGW-SFHVURJKSA-N,,,,,,,,,,,
100.050.089,255-117-1,40859-37-8,"1-[3-(dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-[3-(dimethylamino)propyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CN(C)CCCN1C(=CC(=C(C#N)C1=O)C)O,CN(C)CCCN1C(=CC(=C(C#N)C1=O)C)O,"InChI=1/C12H17N3O2/c1-9-7-11(16)15(6-4-5-14(2)3)12(17)10(9)8-13/h7,16H,4-6H2,1-3H3",C12H17N3O2,,,,,,JNWKGIYXOBPFOY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.094,255-122-9,40876-98-0,"Diethyl oxaloacetate, monosodium salt","sodium 1,4-diethoxy-1,4-dioxobutan-2-olate",[Na+].CCOC(=O)CC([O-])C(=O)OCC,[Na+].CCOC(=O)CC([O-])C(=O)OCC,"InChI=1/C8H13O5.Na/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h6H,3-5H2,1-2H3;/q-1;+1",C8H11O5.Na,,,,,,PACMHGAHAZERQD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.105,255-134-4,40902-58-7,"1,3-phenylenebis[methylenenitrilobis(2-hydroxy-3,1-propanediyl)] bismethacrylate","1,3-phenylenebis(methylenenitrilobis-2-hydroxypropane-3,1-diyl) tetrakis(2-methylacrylate)",CC(=C)C(=O)OCC(O)CN(CC(O)COC(=O)C(=C)C)Cc1cccc(CN(CC(O)COC(=O)C(=C)C)CC(O)COC(=O)C(=C)C)c1,CC(=C)C(=O)OCC(O)CN(CC(O)COC(=O)C(=C)C)Cc1cccc(CN(CC(O)COC(=O)C(=C)C)CC(O)COC(=O)C(=C)C)c1,"InChI=1/C36H52N2O12/c1-23(2)33(43)47-19-29(39)15-37(16-30(40)20-48-34(44)24(3)4)13-27-10-9-11-28(12-27)14-38(17-31(41)21-49-35(45)25(5)6)18-32(42)22-50-36(46)26(7)8/h9-12,29-32,39-42H,1,3,5,7,13-22H2,2,4,6,8H3",C36H52N2O12,,,,,,MLRBAKNKNOCWJE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.111,255-141-2,40923-64-6,3-heptyldihydro-5-methylfuran-2(3H)-one,3-heptyl-5-methyldihydrofuran-2(3H)-one,CCCCCCCC1CC(C)OC1=O,CCCCCCCC1CC(C)OC1=O,"InChI=1/C12H22O2/c1-3-4-5-6-7-8-11-9-10(2)14-12(11)13/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,ZFKUTGNRVJOCIO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.117,255-148-0,40941-54-6,"4,7-dimethylquinoline","4,7-dimethylquinoline",Cc1ccc2c(C)ccnc2c1,Cc1ccc2c(C)ccnc2c1,"InChI=1/C11H11N/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h3-7H,1-2H3",C11H11N,,,,,,LOMBYWOEYMBBGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.119,255-150-1,40943-37-1,Methyl (iminomethoxymethyl)-carbamate,methyl [(iminomethoxy)methyl]carbamate,COC(=O)NCOC=N,COC(=O)NCOC=N,"InChI=1/C4H8N2O3/c1-8-4(7)6-3-9-2-5/h2,5H,3H2,1H3,(H,6,7)",C4H8N2O3,,,,,,AXDCNQMJSHRGHN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.120,255-151-7,40947-69-1,p-[(4-amino-5-methoxy-o-tolyl)azo]benzenesulphonic acid,4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]benzenesulfonic acid,Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S(O)(=O)=O,Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S(O)(=O)=O,"InChI=1/C14H15N3O4S/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)22(18,19)20/h3-8H,15H2,1-2H3,(H,18,19,20)",C14H15N3O4S,,,,,,RFHAPRIQUZZKDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.432,258-795-7,53814-86-1,2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate,2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCCOCCOCCOCCO,CCCCC(CC)C(=O)OCCOCCOCCOCCO,"InChI=1/C16H32O6/c1-3-5-6-15(4-2)16(18)22-14-13-21-12-11-20-10-9-19-8-7-17/h15,17H,3-14H2,1-2H3",C16H32O6,,,,,,KMFYCMCMPSNIJX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.434,258-797-8,53815-85-3,2-[2-(1-naphthylamino)ethoxy]ethanol,2-[2-(1-naphthylamino)ethoxy]ethanol,OCCOCCNc1cccc2ccccc12,OCCOCCNc1cccc2ccccc12,"InChI=1/C14H17NO2/c16-9-11-17-10-8-15-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,15-16H,8-11H2",C14H17NO2,,,,,,LKDJOSCYSCYSJE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.435,258-798-3,53816-99-2,"4,6-bis(1-phenylethyl)-m-xylene","1,5-dimethyl-2,4-bis(1-phenylethyl)benzene",CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(C)cc2C,CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(C)cc2C,"InChI=1/C24H26/c1-17-15-18(2)24(20(4)22-13-9-6-10-14-22)16-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3",C24H26,,,,,,MQXKSESRXIZXFR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.437,258-800-2,53817-16-6,"1H-1,2,3-triazole-4,5-dicarbonitrile","1H-1,2,3-triazole-4,5-dicarbonitrile",N#Cc1nn[nH]c1C#N,N#Cc1nn[nH]c1C#N,"InChI=1/C4HN5/c5-1-3-4(2-6)8-9-7-3/h(H,7,8,9)",C4HN5,,,,,,IVANFNGOSJTZFM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.442,258-806-5,53817-61-1,Diisodecyl maleate,bis(8-methylnonyl) but-2-enedioate,CC(C)CCCCCCCOC(=O)C=CC(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)C=CC(=O)OCCCCCCCC(C)C,"InChI=1/C24H44O4/c1-21(2)15-11-7-5-9-13-19-27-23(25)17-18-24(26)28-20-14-10-6-8-12-16-22(3)4/h17-18,21-22H,5-16,19-20H2,1-4H3",C24H44O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10680,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.442,WVUCNLQROBXNOX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.446,258-810-7,53823-68-0,Sodium hydrogen 2-(phosphonatooxy)acrylate,-,[Na+].[O-]C(=O)C(=C)OP(=O)([O-])[O-],[Na+].[O-]C(=O)C(=C)OP(=O)([O-])[O-],"InChI=1/C3H5O6P.Na/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-3",C3H5O6P.Na,,,,,,NESXXUAWVHXRGX-UHFFFAOYSA-K,,,,,,,,,,,
100.053.452,258-817-5,53833-32-2,"4,5-dimethyl-2-propyloxazole","4,5-dimethyl-2-propyl-1,3-oxazole",CCCc1oc(C)c(C)n1,CCCc1oc(C)c(C)n1,"InChI=1/C8H13NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3",C8H13NO,,,,,,SDRFPOFMNGISHT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.016,258-337-6,53061-21-5,"14-(p-isooctylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol","14-[4-(6-methylheptyl)phenoxy]-3,6,9,12-tetraoxatetradecan-1-ol",CC(C)CCCCCc1ccc(OCCOCCOCCOCCOCCO)cc1,CC(C)CCCCCc1ccc(OCCOCCOCCOCCOCCO)cc1,"InChI=1/C24H42O6/c1-22(2)6-4-3-5-7-23-8-10-24(11-9-23)30-21-20-29-19-18-28-17-16-27-15-14-26-13-12-25/h8-11,22,25H,3-7,12-21H2,1-2H3",C24H42O6,,,,,,IYOVNRHKIGBOOO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.019,258-340-2,53066-19-6,"2,6-dichloro-a-methylbenzyl alcohol","1-(2,6-dichlorophenyl)ethanol",CC(O)c1c(Cl)cccc1Cl,CC(O)c1c(Cl)cccc1Cl,"InChI=1/C8H8Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3",C8H8Cl2O,,,,,,VUSOJMQVQGKPNN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.024,258-346-5,53075-50-6,(bicyclo[2.2.1]hept-2-yl)methyl benzoate,bicyclo[2.2.1]hept-2-ylmethyl benzoate,O=C(OCC1CC2CCC1C2)c3ccccc3,O=C(OCC1CC2CCC1C2)c3ccccc3,"InChI=1/C15H18O2/c16-15(12-4-2-1-3-5-12)17-10-14-9-11-6-7-13(14)8-11/h1-5,11,13-14H,6-10H2",C15H18O2,,,,,,UGGMYHIVEOWQOR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.030,258-352-8,53086-14-9,"(R)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)phenyl]propionic acid","2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid",C[C@@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,C[C@@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,"InChI=1/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)",C17H15NO3,,,,,,RJMIEHBSYVWVIN-LLVKDONJSA-N,,,,,,,,,,,
100.053.032,258-354-9,53092-50-5,"(2Z,4E)-(±)-3,7,11-trimethyldodeca-2,4-dienoic acid","3,7,11-trimethyldodeca-2,4-dienoic acid",CC(C)CCCC(C)CC=CC(=CC(=O)O)C,CC(C)CCCC(C)CC=CC(=CC(=O)O)C,"InChI=1/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6,10-13H,5,7-9H2,1-4H3,(H,16,17)",C15H26O2,,,,,,QMVSVDPAWIVPNR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.034,258-357-5,53092-64-1,"2,2''-dimethyl-p-terphenyl","2,2''-dimethyl-1,1':4',1''-terphenyl",Cc1ccccc1c2ccc(cc2)c3ccccc3C,Cc1ccccc1c2ccc(cc2)c3ccccc3C,"InChI=1/C20H18/c1-15-7-3-5-9-19(15)17-11-13-18(14-12-17)20-10-6-4-8-16(20)2/h3-14H,1-2H3",C20H18,,,,,,MSMADJZSMBWBTF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.039,258-362-2,53100-44-0,"1-(tert-butyl) hydrogen (S)-5-oxopyrrolidine-1,2-dicarboxylate",1-(tert-butoxycarbonyl)-5-oxo-L-proline,CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)O,CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)O,"InChI=1/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)",C10H15NO5,,,,,,MJLQPFJGZTYCMH-LURJTMIESA-N,,,,,,,,,,,
100.053.042,258-365-9,53104-89-5,"3-(4,5-dihydro-1H-imidazol-2-yl)aniline monohydrochloride","3-(4,5-dihydro-1H-imidazol-2-yl)aniline hydrochloride",Cl.Nc1cccc(c1)C2=NCCN2,Cl.Nc1cccc(c1)C2=NCCN2,"InChI=1/C9H11N3.ClH/c10-8-3-1-2-7(6-8)9-11-4-5-12-9;/h1-3,6H,4-5,10H2,(H,11,12);1H",C9H11N3.ClH,,,,,,ZRUQNSKOUWFVHR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.047,258-371-1,53114-47-9,(Z)-1-[bis(4-fluorophenyl)methyl]-4-(cinnamyl)piperazine hydrochloride,1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine hydrochloride,Cl.Fc1ccc(cc1)C(N2CCN(C\\C=C/c3ccccc3)CC2)c4ccc(F)cc4,Cl.Fc1ccc(cc1)C(N2CCN(C\C=C/c3ccccc3)CC2)c4ccc(F)cc4,"InChI=1/C26H26F2N2.ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;/h1-15,26H,16-20H2;1H",C26H26F2N2.xClH,,,,,,NFKPPSNTQMFDIW-ZULQGGHCSA-N,,,,,,,,,,,
100.053.049,258-373-2,53120-26-6,"(3E,13Z)-octadeca-3,13-dienyl acetate","octadeca-3,13-dien-1-yl acetate",CCCC\\C=C/CCCCCCCC\\C=C\\CCOC(=O)C,CCCC\C=C/CCCCCCCC\C=C\CCOC(=O)C,"InChI=1/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3",C20H36O2,,,,,,VVJPJXKHBZNADP-ZSTZHTMOSA-N,,,,,,,,,,,
100.053.053,258-377-4,53126-05-9,"Phosphoric acid, pentyl ester, potassium salt",potassium pentyl hydrogen phosphate,[K+].CCCCCOP(=O)(O)[O-],[K+].CCCCCOP(=O)(O)[O-],"InChI=1/C5H13O4P.K/c1-2-3-4-5-9-10(6,7)8;/h2-5H2,1H3,(H2,6,7,8);/q;+1/p-1",-,,,,,,RGPITZITHPJNJL-UHFFFAOYSA-M,,,,,,,,,,,
100.049.114,254-044-2,38621-44-2,1-butyl (sulphooxy)-9-octadecenoate,butyl 2-(sulfooxy)octadec-9-enoate,CCCCOC(=O)C(CCCCCCC=CCCCCCCCC)OS(O)(=O)=O,CCCCOC(=O)C(CCCCCCC=CCCCCCCCC)OS(O)(=O)=O,"InChI=1/C22H42O6S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(28-29(24,25)26)22(23)27-20-6-4-2/h12-13,21H,3-11,14-20H2,1-2H3,(H,24,25,26)",C22H42O6S,,,,,,QRPPTXRAVGJJPW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.116,254-046-3,38622-35-4,Di-tert-nonyl pentasulphide,"bis(1,1,2,3,3-pentamethylbutyl)pentasulfane",CC(C(C)(C)C)C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C,CC(C(C)(C)C)C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C,"InChI=1/C18H38S5/c1-13(15(3,4)5)17(9,10)19-21-23-22-20-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3",C18H38S5,,,,,,SJERFRLYPYEROR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.118,254-048-4,38635-85-7,"1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid","1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid",OC(=O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,OC(=O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C16H7Cl2F3O2/c17-8-4-11-10-3-7(16(19,20)21)1-2-9(10)13(15(22)23)6-12(11)14(18)5-8/h1-6H,(H,22,23)",C16H7Cl2F3O2,,,,,,FSWIERNYXQOBNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.119,254-050-5,38638-05-0,Diphenyl nonylphenyl phosphate,2-nonylphenyl diphenyl phosphate,CCCCCCCCCc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3,CCCCCCCCCc1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3,"InChI=1/C27H33O4P/c1-2-3-4-5-6-7-10-17-24-18-15-16-23-27(24)31-32(28,29-25-19-11-8-12-20-25)30-26-21-13-9-14-22-26/h8-9,11-16,18-23H,2-7,10,17H2,1H3",C27H33O4P,,,,,,PYLCWALYHRYEST-UHFFFAOYSA-N,,,,,,,,,,,
100.048.816,253-716-2,37921-74-7,"3-[1-[7-[(hexadecylsulphonyl)amino]-1H-indol-3-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1H-indole-7-carboxylic acid","3-(1-{7-[(hexadecylsulfonyl)amino]-1H-indol-3-yl}-3-oxo-1H,3H-benzo[de]isochromen-1-yl)-1H-indole-7-carboxylic acid",CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc2c(c[nH]c12)C3(OC(=O)c4cccc5cccc3c45)c6c[nH]c7c(cccc67)C(=O)O,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc2c(c[nH]c12)C3(OC(=O)c4cccc5cccc3c45)c6c[nH]c7c(cccc67)C(=O)O,"InChI=1/C45H51N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-55(52,53)48-39-27-19-23-33-38(30-47-42(33)39)45(37-29-46-41-32(37)22-18-25-35(41)43(49)50)36-26-17-21-31-20-16-24-34(40(31)36)44(51)54-45/h16-27,29-30,46-48H,2-15,28H2,1H3,(H,49,50)",C45H51N3O6S,,,,,,CDSNHGGKFVLHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.818,253-718-3,37924-13-3,"1,1,1-trifluoro-N-(4-phenylsulphonyl-o-tolyl)methanesulphonamide","1,1,1-trifluoro-N-[2-methyl-4-(phenylsulfonyl)phenyl]methanesulfonamide",Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2,Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2,"InChI=1/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3",C14H12F3NO4S2,,,,,,WHTBVLXUSXVMEV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.820,253-720-4,37932-96-0,4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)phthalazin-1(2H)-one hydrochloride,4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one hydrochloride,Cl.CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O,Cl.CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O,"InChI=1/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H",C22H24ClN3O.xClH,,,,,,YEJAJYAHJQIWNU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.130,257-361-4,51730-94-0,(methyl-2-phenoxyethoxy)propanol,1-(1-methyl-2-phenoxyethoxy)propan-1-ol,CCC(O)OC(C)COc1ccccc1,CCC(O)OC(C)COc1ccccc1,"InChI=1/C12H18O3/c1-3-12(13)15-10(2)9-14-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3",C12H18O3,,,,,,RQKBSKJEOCLWKX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.138,257-370-3,51744-68-4,"(24<U+03BE>)-ergosta-5,22(Z)-dien-3ß-ol","ergosta-4,22-dien-3-ol",CC(C)C(C)C=CC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C,CC(C)C(C)C=CC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C,"InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,22-26,29H,9-16H2,1-6H3",C28H46O,,,,,,JYNLSCLNQXLETI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.142,257-375-0,51750-32-4,"3-amino-2,6-dichlorotoluene-4-sulphonic acid","2-amino-3,5-dichloro-4-methylbenzenesulfonic acid",Cc1c(Cl)cc(c(N)c1Cl)S(=O)(=O)O,Cc1c(Cl)cc(c(N)c1Cl)S(=O)(=O)O,"InChI=1/C7H7Cl2NO3S/c1-3-4(8)2-5(14(11,12)13)7(10)6(3)9/h2H,10H2,1H3,(H,11,12,13)",C7H7Cl2NO3S,,,,,,BUURMHBKUUZRFW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.148,257-381-3,51756-08-2,Methyl 2-ethylacetoacetate,methyl 2-ethyl-3-oxobutanoate,CCC(C(=O)C)C(=O)OC,CCC(C(=O)C)C(=O)OC,"InChI=1/C7H12O3/c1-4-6(5(2)8)7(9)10-3/h6H,4H2,1-3H3",C7H12O3,,,,,,YXLVLOWNJCOOAU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.157,257-391-8,51762-05-1,Cefroxadine,"7-{[amino(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",COC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(=O)O,COC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(=O)O,"InChI=1/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)",C16H19N3O5S,,,,,,RDMOROXKXONCAL-UEKVPHQBSA-N,,,,,,,,,,,
100.052.158,257-392-3,51762-52-8,"9-oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide","9-oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide",OC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1,OC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1,"InChI=1/C14H8O5S/c15-13-9-3-1-2-4-11(9)20(18,19)12-7-8(14(16)17)5-6-10(12)13/h1-7H,(H,16,17)",C14H8O5S,,,,,,KTMTUGYSHWKLNN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.031,255-052-9,40716-47-0,"4,5,6,7-tetrachloro-3-[[3-methyl-4-[[4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl]azo]phenyl]amino]-1H-isoindol-1-one","4,5,6,7-tetrachloro-3-{[3-methyl-4-({4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazenyl)phenyl]amino}-1H-isoindol-1-one",Clc1c6c(c(Cl)c(Cl)c1Cl)C(=O)\\N=C6\\Nc2ccc(cc2)N=Nc3ccc(cc3C)N/C4=N/C(=O)c5c4c(Cl)c(Cl)c(Cl)c5Cl,Clc1c6c(c(Cl)c(Cl)c1Cl)C(=O)\N=C6\Nc2ccc(cc2)N=Nc3ccc(cc3C)N/C4=N/C(=O)c5c4c(Cl)c(Cl)c(Cl)c5Cl,"InChI=1/C29H12Cl8N6O2/c1-9-8-12(39-27-15-17(29(45)41-27)21(33)25(37)23(35)19(15)31)6-7-13(9)43-42-11-4-2-10(3-5-11)38-26-14-16(28(44)40-26)20(32)24(36)22(34)18(14)30/h2-8H,1H3,(H,38,40,44)(H,39,41,45)",C29H12Cl8N6O2,,,,,,XSYQXXVSXOYVET-UHFFFAOYSA-N,,,,,,,,,,,
100.050.032,255-053-4,40716-66-3,"(E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol","3,7,11-trimethyldodeca-1,6,10-trien-3-ol",CC(=CCC\\C(=C\\CCC(C)(O)C=C)\\C)C,CC(=CCC\C(=C\CCC(C)(O)C=C)\C)C,"InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3",C15H26O,,,,,,FQTLCLSUCSAZDY-SDNWHVSQSA-N,,,,,,,,,,,
100.050.035,255-057-6,40735-73-7,"Disodium 2,2'-sulphinylbisacetate","disodium 2,2'-sulfinyldiacetate",[Na+].[Na+].[O-]C(=O)CS(=O)CC(=O)[O-],[Na+].[Na+].[O-]C(=O)CS(=O)CC(=O)[O-],"InChI=1/C4H6O5S.2Na/c5-3(6)1-10(9)2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H6O5S.2Na,,,,,,RODVMCZULATFDE-UHFFFAOYSA-L,,,,,,,,,,,
100.050.039,255-061-8,40742-11-8,Titanium(4+) 6-methylheptan-1-olate,titanium(4+) tetrakis(6-methylheptan-1-olate),[Ti+4].CC(C)CCCCC[O-].CC(C)CCCCC[O-].CC(C)CCCCC[O-].CC(C)CCCCC[O-],[Ti+4].CC(C)CCCCC[O-].CC(C)CCCCC[O-].CC(C)CCCCC[O-].CC(C)CCCCC[O-],"InChI=1/4C8H17O.Ti/c4*1-8(2)6-4-3-5-7-9;/h4*8H,3-7H2,1-2H3;/q4*-1;+4",C8H18O.1/4Ti,,,,,,HVGAPIUWXUVICC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.649,265-633-9,65212-76-2,"Disodium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate","disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3cc(Cl)c(Cl)cc3N=NC2C(\\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O,[Na+].[Na+].[O-]S(=O)(=O)c3cc(Cl)c(Cl)cc3N=NC2C(\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O,"InChI=1/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H12Cl2N4O7S2.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11173,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.649,NPHMJNPFGARTFL-UHFFFAOYSA-L,,,,,,,,,,,
100.059.651,265-636-5,65214-82-6,Ethyl 4-hydroxypiperidine-1-carboxylate,ethyl 4-hydroxypiperidine-1-carboxylate,CCOC(=O)N1CCC(O)CC1,CCOC(=O)N1CCC(O)CC1,"InChI=1/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3",C8H15NO3,,,,,,QABJNOSERNVHDY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.655,265-640-7,65222-35-7,"N,N-diethyl-N'-(6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolin-10-yl)propane-1,3-diamine","N,N-diethyl-N'-(6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolin-10-yl)propane-1,3-diamine",CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c3cc12,CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c3cc12,"InChI=1/C22H27N5/c1-4-27(5-2)12-6-9-24-22-18-13-17-19-14-23-10-8-20(19)26-21(17)15(3)16(18)7-11-25-22/h7-8,10-11,13-14,26H,4-6,9,12H2,1-3H3,(H,24,25)",C22H27N5,,,,,,LPHSYQSMAGVYNT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.658,265-643-3,65229-11-0,Ammonium dihydrogen 4-sulphonatophthalate,ammonium dihydrogen 4-sulfonatophthalate,[NH4+].[O-]C(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-],[NH4+].[O-]C(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C8H6O7S.H3N/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1H3/p-2",C8H6O7S.H3N,,,,,,KOLYQQQBGYNKNZ-UHFFFAOYSA-L,,,,,,,,,,,
100.059.668,265-654-3,65243-09-6,Methyl (Z)-2-amino-a-(methoxyimino)thiazol-4-acetate,"methyl (2-amino-1,3-thiazol-4-yl)(methoxyimino)acetate",CO\\N=C(/C(=O)OC)\\c1csc(N)n1,CO\N=C(/C(=O)OC)\c1csc(N)n1,"InChI=1/C7H9N3O3S/c1-12-6(11)5(10-13-2)4-3-14-7(8)9-4/h3H,1-2H3,(H2,8,9)",C7H9N3O3S,,,,,,MJAIDGPTIFCPGD-YHYXMXQVSA-N,,,,,,,,,,,
100.059.669,265-655-9,65243-10-9,Methyl (Z)-2-(chloroacetamido)-a-(methoxyimino)thiazol-4-acetate,"methyl {2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetate",CO\\N=C(/C(=O)OC)\\c1csc(NC(=O)CCl)n1,CO\N=C(/C(=O)OC)\c1csc(NC(=O)CCl)n1,"InChI=1/C9H10ClN3O4S/c1-16-8(15)7(13-17-2)5-4-18-9(11-5)12-6(14)3-10/h4H,3H2,1-2H3,(H,11,12,14)",C9H10ClN3O4S,,,,,,DSUKGTNPMZEBAZ-QPEQYQDCSA-N,,,,,,,,,,,
100.059.672,265-659-0,65245-10-5,3-benzoyl-2-hydroxypropionic acid,2-hydroxy-4-oxo-4-phenylbutanoic acid,OC(CC(=O)c1ccccc1)C(=O)O,OC(CC(=O)c1ccccc1)C(=O)O,"InChI=1/C10H10O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,13,14)",C10H10O4,,,,,,COFAOIWBTJSSPD-UHFFFAOYSA-N,,,,,,,,,,,
100.059.675,265-662-7,65269-20-7,"Ethyl 8-ethyl-5,6,7,8-tetrahydro-2-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate","ethyl 8-ethyl-2-methoxy-5-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate",CCOC(=O)C1CN(CC)c2nc(OC)ncc2C1=O,CCOC(=O)C1CN(CC)c2nc(OC)ncc2C1=O,"InChI=1/C13H17N3O4/c1-4-16-7-9(12(18)20-5-2)10(17)8-6-14-13(19-3)15-11(8)16/h6,9H,4-5,7H2,1-3H3",C13H17N3O4,,,,,,QVQPCJZXIIWKBT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.680,265-667-4,65277-42-1,Ketoconazole,"1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine",CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2,CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2,"InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3",C26H28Cl2N4O4,,,,,,XMAYWYJOQHXEEK-OZXSUGGESA-N,Positive,mzcloud:2226,[M+H]+,HCD_Averaged,489.1455:82.05255:112.0757:135.06787:177.10224:219.11280:224.0051:255.00864:81.04472:54.03383:120.04439,HighChem,,,,,
100.059.682,265-670-0,65277-52-3,Disodium 1-[2-[(1-oxoundec-10-enyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-oxo-3-sulfonato-4-[2-(undec-10-enoylamino)ethoxy]butanoate,[Na+].[Na+].[O-]C(=O)CC(C(=O)OCCNC(=O)CCCCCCCCC=C)S(=O)(=O)[O-],[Na+].[Na+].[O-]C(=O)CC(C(=O)OCCNC(=O)CCCCCCCCC=C)S(=O)(=O)[O-],"InChI=1/C17H29NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-15(19)18-11-12-26-17(22)14(13-16(20)21)27(23,24)25;;/h2,14H,1,3-13H2,(H,18,19)(H,20,21)(H,23,24,25);;/q;2*+1/p-2",C17H29NO8S.2Na,,,,,,HQWDESXVUSWTPT-UHFFFAOYSA-L,,,,,,,,,,,
100.059.683,265-671-6,65277-53-4,"Tridodecyl 2-hydroxypropane-1,2,3-tricarboxylate",tridodecyl citrate,CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC,"InChI=1/C42H80O7/c1-4-7-10-13-16-19-22-25-28-31-34-47-39(43)37-42(46,41(45)49-36-33-30-27-24-21-18-15-12-9-6-3)38-40(44)48-35-32-29-26-23-20-17-14-11-8-5-2/h46H,4-38H2,1-3H3",C42H80O7,,,,,,UYERRXOXXRNFHC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.685,265-673-7,65277-59-0,Disodium 1-octadecyl 2-sulphonatosuccinate,disodium 4-(octadecyloxy)-4-oxo-3-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-2",C22H42O7S.2Na,,,,,,IRWMJXDNLGBJKQ-UHFFFAOYSA-L,,,,,,,,,,,
100.053.458,258-823-8,53859-10-2,4-(4-chlorobenzhydryl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperazinediylium maleate,1-[(4-chlorophenyl)(phenyl)methyl]-4-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}piperazinediium but-2-enedioate,OCCOCCOCC[NH+]1CC[NH+](CC1)C(c2ccccc2)c3ccc(Cl)cc3.[O-]C(=O)\\C=C/C(=O)[O-],OCCOCCOCC[NH+]1CC[NH+](CC1)C(c2ccccc2)c3ccc(Cl)cc3.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C23H31ClN2O3.C4H4O4/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27;5-3(6)1-2-4(7)8/h1-9,23,27H,10-19H2;1-2H,(H,5,6)(H,7,8)",C23H31ClN2O3.C4H4O4,,,,,,XVIRSZGSFLTRJL-BTJKTKAUSA-N,,,,,,,,,,,
100.053.463,258-829-0,53866-20-9,"Ethyl 3-oxopregna-4,6-diene-21,17a-carbolactone-21-carboxylate","ethyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-4'-carboxylate",CCOC(=O)C1CC2(CCC3C4C=CC5=CC(=O)CCC5(C)C4CCC23C)OC1=O,CCOC(=O)C1CC2(CCC3C4C=CC5=CC(=O)CCC5(C)C4CCC23C)OC1=O,"InChI=1/C25H32O5/c1-4-29-21(27)18-14-25(30-22(18)28)12-9-20-17-6-5-15-13-16(26)7-10-23(15,2)19(17)8-11-24(20,25)3/h5-6,13,17-20H,4,7-12,14H2,1-3H3",C25H32O5,,,,,,UDYXOLXWRPSMNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.466,258-832-7,53874-67-2,1-(dibromomethyl)-3-phenoxybenzene,1-(dibromomethyl)-3-phenoxybenzene,BrC(Br)c1cccc(Oc2ccccc2)c1,BrC(Br)c1cccc(Oc2ccccc2)c1,"InChI=1/C13H10Br2O/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9,13H",C13H10Br2O,,,,,,XGCVFGOKEISJGC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.473,258-840-0,53889-39-7,4-(4-methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate,[4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl acetate,CC(=CCCC1=CCC(COC(=O)C)CC1)C,CC(=CCCC1=CCC(COC(=O)C)CC1)C,"InChI=1/C15H24O2/c1-12(2)5-4-6-14-7-9-15(10-8-14)11-17-13(3)16/h5,7,15H,4,6,8-11H2,1-3H3",C15H24O2,,,,,,HTQLNWONIAXQKC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.869,253-774-9,38081-67-3,Carmantadine,1-adamantan-1-ylazetidine-2-carboxylic acid,OC(=O)C1CCN1C23CC4CC(CC(C4)C2)C3,OC(=O)C1CCN1C23CC4CC(CC(C4)C2)C3,"InChI=1/C14H21NO2/c16-13(17)12-1-2-15(12)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8H2,(H,16,17)",C14H21NO2,,,,,,VPBLOJFGPORKQA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.872,253-778-0,38099-82-0,"D-Fructose, 1,6-bis(dihydrogen phosphate), trisodium salt",trisodium 1-O-(hydroxyphosphinato)-6-O-phosphonatohex-2-ulose,OC(COP(=O)(O[Na])O[Na])C(O)C(O)C(=O)COP(=O)(O)O[Na],OC(COP(=O)(O[Na])O[Na])C(O)C(O)C(=O)COP(=O)(O)O[Na],"InChI=1/C6H14O12P2.3Na/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-3/rC6H11Na3O12P2/c7-19-22(14,15)17-1-3(10)5(12)6(13)4(11)2-18-23(16,20-8)21-9/h4-6,11-13H,1-2H2,(H,14,15)",C6H14O12P2.3Na,,,,,,CEHGLSKJDFICTB-UHFFFAOYSA-K,,,,,,,,,,,
100.050.376,255-432-4,41543-92-4,N-[4-(phenylamino)phenyl]methacrylamide,N-(4-anilinophenyl)-2-methylacrylamide,CC(=C)C(=O)Nc1ccc(Nc2ccccc2)cc1,CC(=C)C(=O)Nc1ccc(Nc2ccccc2)cc1,"InChI=1/C16H16N2O/c1-12(2)16(19)18-15-10-8-14(9-11-15)17-13-6-4-3-5-7-13/h3-11,17H,1H2,2H3,(H,18,19)",C16H16N2O,,,,,,GFSJJVJWCAMZEV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.379,255-436-6,41555-86-6,"Tetrasodium 5-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate","tetrasodium 5-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(cc5)S([O-])(=O)=O)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(cc5)S([O-])(=O)=O)n6,"InChI=1/C29H20ClN7O13S4.4Na/c30-27-33-28(31-16-6-8-17(9-7-16)51(39,40)41)35-29(34-27)32-21-13-18(52(42,43)44)11-15-12-22(53(45,46)47)24(25(38)23(15)21)37-36-20-10-5-14-3-1-2-4-19(14)26(20)54(48,49)50;;;;/h1-13,38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,31,32,33,34,35);;;;/q;4*+1/p-4",C29H20ClN7O13S4.4Na,,,,,,CQYNHQJBIFPZPH-UHFFFAOYSA-J,,,,,,,,,,,
100.050.383,255-440-8,41562-24-7,N-oleylstearamide,N-octadec-9-en-1-yloctadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C36H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-35H2,1-2H3,(H,37,38)",C36H71NO,,,,,,PECBPCUKEFYARY-ZPHPHTNESA-N,,,,,,,,,,,
100.050.385,255-442-9,41570-56-3,4-ethoxy-N-phenyl-o-toluidine,4-ethoxy-2-methyl-N-phenylaniline,CCOc1ccc(Nc2ccccc2)c(C)c1,CCOc1ccc(Nc2ccccc2)c(C)c1,"InChI=1/C15H17NO/c1-3-17-14-9-10-15(12(2)11-14)16-13-7-5-4-6-8-13/h4-11,16H,3H2,1-2H3",C15H17NO,,,,,,YGLYYWZISFBCPU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.395,255-453-9,41604-19-7,"4-bromo-2-fluoro-1,1'-biphenyl",4-bromo-2-fluorobiphenyl,Fc1cc(Br)ccc1c2ccccc2,Fc1cc(Br)ccc1c2ccccc2,InChI=1/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H,C12H8BrF,,,,,,HTRNHWBOBYFTQF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.212,257-451-3,51822-63-0,5-oxo-2'-salicyloyl-L-prolinohydrazide,N'-(2-hydroxybenzoyl)-5-oxopyrrolidine-2-carbohydrazide (non-preferred name),Oc1ccccc1C(=O)NNC(=O)C2CCC(=O)N2,Oc1ccccc1C(=O)NNC(=O)C2CCC(=O)N2,"InChI=1/C12H13N3O4/c16-9-4-2-1-3-7(9)11(18)14-15-12(19)8-5-6-10(17)13-8/h1-4,8,16H,5-6H2,(H,13,17)(H,14,18)(H,15,19)",C12H13N3O4,,,,,,GSJXNPYYEXPWOH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.217,257-457-6,51828-95-6,Calcium 4-methyl-2-oxovalerate,calcium bis(4-methyl-2-oxopentanoate),[Ca+2].CC(C)CC(=O)C(=O)[O-].CC(C)CC(=O)C(=O)[O-],[Ca+2].CC(C)CC(=O)C(=O)[O-].CC(C)CC(=O)C(=O)[O-],"InChI=1/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2",C6H10O3.1/2Ca,,,,,,WQZNGJIBHXYVNW-UHFFFAOYSA-L,,,,,,,,,,,
100.049.122,254-053-1,38641-06-4,"Potassium 9,10-dihydro-9,10-dioxoanthracenesulphonate","potassium 9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C14H8O5S.K/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;/h1-7H,(H,17,18,19);/q;+1/p-1",C14H8O5S.K,,,,,,BMAWOUMCJNTMPB-UHFFFAOYSA-M,,,,,,,,,,,
100.049.123,254-054-7,38641-16-6,Dodecylnaphthalene,1-dodecylnaphthalene,CCCCCCCCCCCCc1cccc2ccccc12,CCCCCCCCCCCCc1cccc2ccccc12,"InChI=1/C22H32/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-14-18-21-16-12-13-19-22(20)21/h12-14,16-19H,2-11,15H2,1H3",C22H32,,,,,,UVMGANPLBFFQIO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.632,255-714-7,42228-16-0,Methyl 4-(dimethoxymethyl)benzoate,methyl 4-(dimethoxymethyl)benzoate,COC(OC)c1ccc(cc1)C(=O)OC,COC(OC)c1ccc(cc1)C(=O)OC,"InChI=1/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3",C11H14O4,,,,,,YUTFBICAYRWLGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.634,255-716-8,42228-65-9,2-methoxyethyl N-[5-(acetylamino)-2-methoxyphenyl]-N-ethyl-ß-alaninate,2-methoxyethyl N-(5-acetamido-2-methoxyphenyl)-N-ethyl-beta-alaninate,CCN(CCC(=O)OCCOC)c1cc(NC(=O)C)ccc1OC,CCN(CCC(=O)OCCOC)c1cc(NC(=O)C)ccc1OC,"InChI=1/C17H26N2O5/c1-5-19(9-8-17(21)24-11-10-22-3)15-12-14(18-13(2)20)6-7-16(15)23-4/h6-7,12H,5,8-11H2,1-4H3,(H,18,20)",C17H26N2O5,,,,,,JANKXSWDUFKJEY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.635,255-717-3,42231-40-3,Undecyl octanoate,undecyl octanoate,CCCCCCCCCCCOC(=O)CCCCCCC,CCCCCCCCCCCOC(=O)CCCCCCC,"InChI=1/C19H38O2/c1-3-5-7-9-10-11-12-14-16-18-21-19(20)17-15-13-8-6-4-2/h3-18H2,1-2H3",C19H38O2,,,,,,MRXRZUAPYOLFFW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.645,255-728-3,42233-14-7,Icosyl docosanoate,icosyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC,"InChI=1/C42H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3",C42H84O2,,,,,,JWEYEHAVGPUUDR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.647,255-730-4,42233-75-0,Didocosyl sebacate,didocosyl sebacate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C54H106O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-57-53(55)49-45-41-37-38-42-46-50-54(56)58-52-48-44-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-52H2,1-2H3",C54H106O4,,,,,,PRNNATBNXILRSR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.649,255-733-0,42234-04-8,Dihexadecyl dodecanedioate,dihexadecyl dodecanedioate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C44H86O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-33-37-41-47-43(45)39-35-31-27-23-24-28-32-36-40-44(46)48-42-38-34-30-26-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3",C44H86O4,,,,,,RCNQFTSPHJETIT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.655,255-739-3,42258-90-2,Methyl (R)-thiazolidine-4-carboxylate,"methyl 1,3-thiazolidine-4-carboxylate",COC(=O)[C@@H]1CSCN1,COC(=O)[C@@H]1CSCN1,"InChI=1/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3",C5H9NO2S,,,,,,NHBNAVLHRAPNKY-BYPYZUCNSA-N,,,,,,,,,,,
100.050.656,255-740-9,42265-58-7,Ethyl 4-(ethylamino)benzoate,ethyl 4-(ethylamino)benzoate,CCNc1ccc(cc1)C(=O)OCC,CCNc1ccc(cc1)C(=O)OCC,"InChI=1/C11H15NO2/c1-3-12-10-7-5-9(6-8-10)11(13)14-4-2/h5-8,12H,3-4H2,1-2H3",C11H15NO2,,,,,,GDIMKVMLVSCQJB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.513,253-381-2,37172-61-5,Methyl 2-butyl-3-oxocyclopentanecarboxylate,methyl 2-butyl-3-oxocyclopentanecarboxylate,CCCCC1C(CCC1=O)C(=O)OC,CCCCC1C(CCC1=O)C(=O)OC,"InChI=1/C11H18O3/c1-3-4-5-8-9(11(13)14-2)6-7-10(8)12/h8-9H,3-7H2,1-2H3",C11H18O3,,,,,,ICIZBTGTSKEFDG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.531,253-403-0,37216-10-7,[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium methyl sulphate,"2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium methyl sulfate",[O-]S(=O)(=O)OC.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,[O-]S(=O)(=O)OC.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C20H25N6O2.CH4O4S/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;1-5-6(2,3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C20H25N6O2.CH3O4S,,,,,,JHLCQUCAFIFTML-UHFFFAOYSA-M,,,,,,,,,,,
100.048.549,253-422-4,37242-45-8,"Phosphoric acid, hexyl ester, potassium salt",potassium hexyl hydrogen phosphate,[K+].CCCCCCOP(=O)(O)[O-],[K+].CCCCCCOP(=O)(O)[O-],"InChI=1/C6H15O4P.K/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H2,7,8,9);/q;+1/p-1",-,,,,,,UHLDWBFWNWLNGH-UHFFFAOYSA-M,,,,,,,,,,,
100.051.877,257-083-3,51248-35-2,"4-isobutyloxazolidine-2,5-dione","4-isobutyl-1,3-oxazolidine-2,5-dione",CC(C)CC1NC(=O)OC1=O,CC(C)CC1NC(=O)OC1=O,"InChI=1/C7H11NO3/c1-4(2)3-5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)",C7H11NO3,,,,,,JHWZWIVZROVFEM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.042,255-064-4,40762-43-4,Sodium 2-ethylhexanesulphonate,sodium 2-ethylhexane-1-sulfonate,[Na+].CCCCC(CC)CS(=O)(=O)[O-],[Na+].CCCCC(CC)CS(=O)(=O)[O-],"InChI=1/C8H18O3S.Na/c1-3-5-6-8(4-2)7-12(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);/q;+1/p-1",C8H18O3S.Na,,,,,,KNOGXLBAOQDKTG-UHFFFAOYSA-M,,,,,,,,,,,
100.050.048,255-071-2,40772-93-8,4-(4-methylpenten-3-yl)cyclohex-3-ene-1-methanol,[4-(1-isopropylprop-2-en-1-yl)cyclohex-3-en-1-yl]methanol,CC(C)C(C=C)C1=CCC(CO)CC1,CC(C)C(C=C)C1=CCC(CO)CC1,"InChI=1/C13H22O/c1-4-13(10(2)3)12-7-5-11(9-14)6-8-12/h4,7,10-11,13-14H,1,5-6,8-9H2,2-3H3",C13H22O,,,,,,VUSLNBHTGSEFRW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.059,255-083-8,40790-02-1,"4-mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one","4-sulfanyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one",CC(=O)CC(S)C1=C(C)CCCC1(C)C,CC(=O)CC(S)C1=C(C)CCCC1(C)C,"InChI=1/C13H22OS/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h11,15H,5-8H2,1-4H3",C13H22OS,,,,,,DOQZSHAHBHVWFG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.072,255-097-4,40830-68-0,"[S(R*,R*)]-2-(benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol","2-(benzylideneamino)-1-(4-nitrophenyl)propane-1,3-diol",OCC(N=Cc1ccccc1)C(O)c2ccc(cc2)N(=O)=O,OCC(N=Cc1ccccc1)C(O)c2ccc(cc2)N(=O)=O,"InChI=1/C16H16N2O4/c19-11-15(17-10-12-4-2-1-3-5-12)16(20)13-6-8-14(9-7-13)18(21)22/h1-10,15-16,19-20H,11H2",C16H16N2O4,,,,,,AIPCTGYIYJYHIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.386,258-744-9,53754-48-6,Lithium naphthalene-2-sulphonate,lithium naphthalene-2-sulfonate,[Li+].[O-]S(=O)(=O)c1ccc2ccccc2c1,[Li+].[O-]S(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H8O3S.Li/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1",C10H8O3S.Li,,,,,,INJBEHATBOKIIU-UHFFFAOYSA-M,,,,,,,,,,,
100.053.394,258-753-8,53770-52-8,"Zinc 3,5-bis(a-methylbenzyl)salicylate","zinc bis[2-hydroxy-3,5-bis(1-phenylethyl)benzoate]",[Zn+2].CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(O)c(c2)C(=O)[O-].CC(c4ccccc4)c5cc(C(C)c6ccccc6)c(O)c(c5)C(=O)[O-],[Zn+2].CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(O)c(c2)C(=O)[O-].CC(c4ccccc4)c5cc(C(C)c6ccccc6)c(O)c(c5)C(=O)[O-],"InChI=1/2C23H22O3.Zn/c2*1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18;/h2*3-16,24H,1-2H3,(H,25,26);/q;;+2/p-2",C46H42O6Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12519,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.394,XTUPUYCJWKHGSW-UHFFFAOYSA-L,,,,,,,,,,,
100.053.395,258-754-3,53771-60-1,"(E)-3,7-dimethyl-octa-1,5,7-trien-3-yl acetate","1,5-dimethyl-1-vinylhexa-3,5-dien-1-yl acetate",CC(=O)OC(C)(C\\C=C\\C(=C)C)C=C,CC(=O)OC(C)(C\C=C\C(=C)C)C=C,"InChI=1/C12H18O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6-8H,1-2,9H2,3-5H3",C12H18O2,,,,,,BTTUBYGGUJLPGO-BQYQJAHWSA-N,,,,,,,,,,,
100.053.400,258-760-6,53778-50-0,Bismuth disodium pentaiodide,bismuth disodium pentaiodide,[Na+].[Na+].[I-].[I-].[I-].[I-].[I-].[BiH3+3],[Na+].[Na+].[I-].[I-].[I-].[I-].[I-].[BiH3+3],InChI=1/Bi.5HI.2Na.3H/h;5*1H;;;;;/q+3;;;;;;2*+1;;;/p-5/rBiH3.5HI.2Na/h1H3;5*1H;;/q+3;;;;;;2*+1/p-5,BiI5.2Na,,,,,,SGCPWBZDDBPFOB-UHFFFAOYSA-I,,,,,,,,,,,
100.053.406,258-766-9,53780-33-9,"N-(5-amino-2,4-dimethylphenyl)acetamide","N-(5-amino-2,4-dimethylphenyl)acetamide",CC(=O)Nc1cc(N)c(C)cc1C,CC(=O)Nc1cc(N)c(C)cc1C,"InChI=1/C10H14N2O/c1-6-4-7(2)10(5-9(6)11)12-8(3)13/h4-5H,11H2,1-3H3,(H,12,13)",C10H14N2O,,,,,,HAEMXAKFQGXEGU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.407,258-767-4,53780-34-0,"2',4'-dimethyl-5'-(trifluoromethanesulphonamido)acetanilide","N-(2,4-dimethyl-5-{[(trifluoromethyl)sulfonyl]amino}phenyl)acetamide",CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C,CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C,"InChI=1/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)",C11H13F3N2O3S,,,,,,OKIBNKKYNPBDRS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.415,258-776-3,53786-46-2,"Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)piperidine-1-carboxylate","ethyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine-1-carboxylate",CCOC(=O)N1CCC(CC1)N2C(=O)Nc3cc(Cl)ccc23,CCOC(=O)N1CCC(CC1)N2C(=O)Nc3cc(Cl)ccc23,"InChI=1/C15H18ClN3O3/c1-2-22-15(21)18-7-5-11(6-8-18)19-13-4-3-10(16)9-12(13)17-14(19)20/h3-4,9,11H,2,5-8H2,1H3,(H,17,20)",C15H18ClN3O3,,,,,,BEBFRFMLVIJOSE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.428,258-791-5,53808-88-1,Lonazolac,[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid,OC(=O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3,OC(=O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3,"InChI=1/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)",C17H13ClN2O2,,,,,,XVUQHFRQHBLHQD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.822,253-723-0,37933-78-1,L-lysine o-acetoxybenzoate,2-acetoxybenzoic acid - L-lysine (1:1),CC(=O)Oc1ccccc1C(=O)O.NCCCC[C@H](N)C(=O)O,CC(=O)Oc1ccccc1C(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)",C9H8O4.xC6H14N2O2,,,,,,JJBCTCGUOQYZHK-ZSCHJXSPSA-N,,,,,,,,,,,
100.048.825,253-726-7,37941-69-8,4-hydroxy-N-methylbutyramide,4-hydroxy-N-methylbutanamide,CNC(=O)CCCO,CNC(=O)CCCO,"InChI=1/C5H11NO2/c1-6-5(8)3-2-4-7/h7H,2-4H2,1H3,(H,6,8)",C5H11NO2,,,,,,DLKOPXVSDZXMRM-UHFFFAOYSA-N,,,,,,,,,,,
100.059.686,265-674-2,65287-01-6,"2,5-dimethyl-3-(3-sulphonatopropyl)benzothiazolium","3-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",Cc1ccc2sc(C)[n+](CCCS(=O)(=O)[O-])c2c1,Cc1ccc2sc(C)[n+](CCCS(=O)(=O)[O-])c2c1,"InChI=1/C12H15NO3S2/c1-9-4-5-12-11(8-9)13(10(2)17-12)6-3-7-18(14,15)16/h4-5,8H,3,6-7H2,1-2H3",C12H15NO3S2,,,,,,RHVVCHULMIKELS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.688,265-676-3,65291-39-6,"Hexabutyl 2,2',2''-[(butylstannylidyne)tris(thio)]trisuccinate","tributyl 4-{[3-butoxy-1-(butoxycarbonyl)-3-oxopropyl]sulfanyl}-4-butyl-8-oxo-9-oxa-3,5-dithia-4-stannatridecane-1,2,6-tricarboxylate",CCCCOC(=O)CC(S[Sn](CCCC)(SC(CC(=O)OCCCC)C(=O)OCCCC)SC(CC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC,CCCCOC(=O)CC(S[Sn](CCCC)(SC(CC(=O)OCCCC)C(=O)OCCCC)SC(CC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC,"InChI=1/3C12H22O4S.C4H9.Sn/c3*1-3-5-7-15-11(13)9-10(17)12(14)16-8-6-4-2;1-3-4-2;/h3*10,17H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC40H72O12S3Sn/c1-8-15-22-47-35(41)29-32(38(44)50-25-18-11-4)53-56(28-21-14-7,54-33(39(45)51-26-19-12-5)30-36(42)48-23-16-9-2)55-34(40(46)52-27-20-13-6)31-37(43)49-24-17-10-3/h32-34H,8-31H2,1-7H3",C40H72O12S3Sn,,,,,,VVDYYHAMBNQVRC-UHFFFAOYSA-K,,,,,,,,,,,
100.061.952,268-167-4,68016-02-4,"Lactic acid, compound with N-[2-[(2-hydroxyethyl)amino]ethyl]octadecanamide (1:1)",2-hydroxypropanoic acid - N-{2-[(2-hydroxyethyl)amino]ethyl}octadecanamide (1:1),CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(O)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(O)C(=O)O,"InChI=1/C22H46N2O2.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(4)3(5)6/h23,25H,2-21H2,1H3,(H,24,26);2,4H,1H3,(H,5,6)",C22H46N2O2.C3H6O3,,,,,,KPYQBPNFLHDHGG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.956,268-172-1,68016-06-8,4-[[5-(aminocarbonyl)-2-methylphenyl]azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide,4-[(5-carbamoyl-2-methylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)C(N)=O)c3O,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)C(N)=O)c3O,"InChI=1/C26H22N4O3/c1-15-7-3-6-10-21(15)28-26(33)20-13-17-8-4-5-9-19(17)23(24(20)31)30-29-22-14-18(25(27)32)12-11-16(22)2/h3-14,31H,1-2H3,(H2,27,32)(H,28,33)",C26H22N4O3,,,,,,BDBJLAKMKQMELG-UHFFFAOYSA-N,,,,,,,,,,,
100.061.968,268-185-2,68025-27-4,2-(2-ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium,"3-[2-(2-ethoxybut-1-en-1-yl)-5-phenyl-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]1c2cc(ccc2oc1C=C(CC)OCC)c3ccccc3,[O-]S(=O)(=O)CCC[n+]1c2cc(ccc2oc1C=C(CC)OCC)c3ccccc3,"InChI=1/C22H25NO5S/c1-3-19(27-4-2)16-22-23(13-8-14-29(24,25)26)20-15-18(11-12-21(20)28-22)17-9-6-5-7-10-17/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3",C22H25NO5S,,,,,,HBFKQGKELXIJKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.970,268-187-3,68025-29-6,"Tetrasodium dodecane-1,1,12,12-tetracarboxylate","tetrasodium dodecane-1,1,12,12-tetracarboxylate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(CCCCCCCCCCC(C(=O)[O-])C(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(CCCCCCCCCCC(C(=O)[O-])C(=O)[O-])C(=O)[O-],"InChI=1/C16H26O8.4Na/c17-13(18)11(14(19)20)9-7-5-3-1-2-4-6-8-10-12(15(21)22)16(23)24;;;;/h11-12H,1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4",C16H26O8.4Na,,,,,,CCNHWNVAPLGXCO-UHFFFAOYSA-J,,,,,,,,,,,
100.061.985,268-203-9,68025-62-7,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-(trifluoromethyl)myristoyl fluoride","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-(trifluoromethyl)tetradecanoyl fluoride",FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,FC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C15F30O/c16-1(46)2(17,18)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)13(38,39)11(34,35)9(30,31)7(26,27)5(22,23)3(19,14(40,41)42)15(43,44)45",C15F30O,,,,,,ULTHBMBLJPAOJW-UHFFFAOYSA-N,,,,,,,,,,,
100.061.986,268-204-4,68027-20-3,"N,N'''-(iminodiethylene)bisguanidine dihydrochloride","N,N'''-(iminodiethane-2,1-diyl)diguanidine dihydrochloride",Cl.Cl.NC(=N)NCCNCCNC(=N)N,Cl.Cl.NC(=N)NCCNCCNC(=N)N,"InChI=1/C6H17N7.2ClH/c7-5(8)12-3-1-11-2-4-13-6(9)10;;/h11H,1-4H2,(H4,7,8,12)(H4,9,10,13);2*1H",C6H17N7.2ClH,,,,,,AEVRMGYWAIGJIX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.873,266-980-9,67718-84-7,"2,2,4-trimethyl-4-phosphonoglutaric acid","2,2,4-trimethyl-4-phosphonopentanedioic acid",CC(C)(CC(C)(C(=O)O)P(=O)(O)O)C(=O)O,CC(C)(CC(C)(C(=O)O)P(=O)(O)O)C(=O)O,"InChI=1/C8H15O7P/c1-7(2,5(9)10)4-8(3,6(11)12)16(13,14)15/h4H2,1-3H3,(H,9,10)(H,11,12)(H2,13,14,15)",C8H15O7P,,,,,,KEJHHNKGPJZSNN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.377,262-034-4,60044-33-9,2-chloro-4-nonylphenol,2-chloro-4-nonylphenol,CCCCCCCCCc1ccc(O)c(Cl)c1,CCCCCCCCCc1ccc(O)c(Cl)c1,"InChI=1/C15H23ClO/c1-2-3-4-5-6-7-8-9-13-10-11-15(17)14(16)12-13/h10-12,17H,2-9H2,1H3",C15H23ClO,,,,,,HJBUWTLHZIRBIM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.379,262-037-0,60046-25-5,(2.xi)-D-gluco-heptono-<U+03B3>-lactone,"3,4-dihydroxy-5-(1,2,3-trihydroxypropyl)dihydrofuran-2(3H)-one (non-preferred name)",OCC(O)C(O)C1OC(=O)C(O)C1O,OCC(O)C(O)C1OC(=O)C(O)C1O,"InChI=1/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2",C7H12O7,,,,,,VIVCRCODGMFTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.380,262-038-6,60047-17-8,2-(tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol,2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol,CC(C)(O)C1CCC(C)(O1)C=C,CC(C)(O)C1CCC(C)(O1)C=C,"InChI=1/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3",C10H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17676,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.380,BRHDDEIRQPDPMG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.218,257-458-1,51828-96-7,Calcium (S)-3-methyl-2-oxovalerate,calcium bis(3-methyl-2-oxopentanoate),[Ca+2].CC[C@H](C)C(=O)C(=O)[O-].CC[C@H](C)C(=O)C(=O)[O-],[Ca+2].CC[C@H](C)C(=O)C(=O)[O-].CC[C@H](C)C(=O)C(=O)[O-],"InChI=1/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2",C6H10O3.1/2Ca,,,,,,PTFSVYLXDCGPFY-SCGRZTRASA-L,,,,,,,,,,,
100.052.220,257-460-2,51832-31-6,Dimethyl 4-aminophthalate,dimethyl 4-aminophthalate,COC(=O)c1ccc(N)cc1C(=O)OC,COC(=O)c1ccc(N)cc1C(=O)OC,"InChI=1/C10H11NO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,11H2,1-2H3",C10H11NO4,,,,,,NTBHQNDXAJXRPU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.221,257-461-8,51833-34-2,Thallium phosphate,trithallium(1+) phosphate,[Tl+].[Tl+].[Tl+].[O-]P(=O)([O-])[O-],[Tl+].[Tl+].[Tl+].[O-]P(=O)([O-])[O-],"InChI=1/H3O4P.3Tl/c1-5(2,3)4;;;/h(H3,1,2,3,4);;;/q;3*+1/p-3",H3O4P.Tl,,,,,,CMCWASNBHVMBLC-UHFFFAOYSA-K,,,,,,,,,,,
100.052.229,257-470-7,51848-22-7,"N-(2-hydroxy-1,1-dimethylethyl)undecanamide","N-(2-hydroxy-1,1-dimethylethyl)undecanamide",CCCCCCCCCCC(=O)NC(C)(C)CO,CCCCCCCCCCC(=O)NC(C)(C)CO,"InChI=1/C15H31NO2/c1-4-5-6-7-8-9-10-11-12-14(18)16-15(2,3)13-17/h17H,4-13H2,1-3H3,(H,16,18)",C15H31NO2,,,,,,BDIITUILCUVPFU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.230,257-471-2,51850-20-5,Dihydrogen hexahydroxyplatinate,hexahydroxyplatinate(2-),O[Pt-2](O)(O)(O)(O)O,O[Pt-2](O)(O)(O)(O)O,"InChI=1/6H2O.Pt/h6*1H2;/q;;;;;;+4/p-6/rH6O6Pt/c1-7(2,3,4,5)6/h1-6H/q-2",H6O6Pt.2H,,,,,,ILXDKMTYQJUXAB-UHFFFAOYSA-H,,,,,,,,,,,
100.052.235,257-477-5,51856-76-9,Methyl 1-methylpyrrolidine-2-acetate,methyl (1-methylpyrrolidin-2-yl)acetate,COC(=O)CC1CCCN1C,COC(=O)CC1CCCN1C,"InChI=1/C8H15NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h7H,3-6H2,1-2H3",C8H15NO2,,,,,,PVKLAMRUYSTLJU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.241,257-483-8,51867-75-5,"4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-2-naphthoic acid","4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-3-hydroxy-2-naphthoic acid",OC(=O)c5cc1ccccc1c(N=Nc4cccc3C(=O)c2ccccc2C(=O)c34)c5O,OC(=O)c5cc1ccccc1c(N=Nc4cccc3C(=O)c2ccccc2C(=O)c34)c5O,"InChI=1/C25H14N2O5/c28-22-15-8-3-4-9-16(15)23(29)20-17(22)10-5-11-19(20)26-27-21-14-7-2-1-6-13(14)12-18(24(21)30)25(31)32/h1-12,30H,(H,31,32)",C25H14N2O5,,,,,,FEIBQPLJMHRFMO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.242,257-484-3,51867-77-7,"4-[(2,5-dichlorophenyl)azo]-3-hydroxy-2-naphthoic acid","4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthoic acid",Clc3ccc(Cl)cc3N=Nc1c2ccccc2cc(C(O)=O)c1O,Clc3ccc(Cl)cc3N=Nc1c2ccccc2cc(C(O)=O)c1O,"InChI=1/C17H10Cl2N2O3/c18-10-5-6-13(19)14(8-10)20-21-15-11-4-2-1-3-9(11)7-12(16(15)22)17(23)24/h1-8,22H,(H,23,24)",C17H10Cl2N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11087,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.242,RZUULGTVQSQSES-UHFFFAOYSA-N,,,,,,,,,,,
100.052.247,257-490-6,51876-99-4,Ioseric acid,"3-{[1-(hydroxymethyl)-2-(methylamino)-2-oxoethyl]carbamoyl}-2,4,6-triiodo-5-[(methoxyacetyl)amino]benzoic acid",CNC(=O)C(CO)NC(=O)c1c(I)c(NC(=O)COC)c(I)c(C(=O)O)c1I,CNC(=O)C(CO)NC(=O)c1c(I)c(NC(=O)COC)c(I)c(C(=O)O)c1I,"InChI=1/C15H16I3N3O7/c1-19-13(24)5(3-22)20-14(25)7-9(16)8(15(26)27)11(18)12(10(7)17)21-6(23)4-28-2/h5,22H,3-4H2,1-2H3,(H,19,24)(H,20,25)(H,21,23)(H,26,27)",C15H16I3N3O7,,,,,,NPCYYZYVQAQDBM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.504,258-874-6,53934-41-1,3-chloro-4-(1-pyrrolidinyl)benzenediazonium tetrafluoroborate,3-chloro-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate,F[B-](F)(F)F.Clc1cc(ccc1N2CCCC2)[N+]#N,F[B-](F)(F)F.Clc1cc(ccc1N2CCCC2)[N+]#N,"InChI=1/C10H11ClN3.BF4/c11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;2-1(3,4)5/h3-4,7H,1-2,5-6H2;/q+1;-1",C10H11ClN3.BF4,,,,,,PVHSZACJRNAFPB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.506,258-876-7,53939-28-9,(Z)-hexadec-11-enal,hexadec-11-enal,CCCC\\C=C/CCCCCCCCCC=O,CCCC\C=C/CCCCCCCCCC=O,"InChI=1/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3",C16H30O,,,,,,AMTITFMUKRZZEE-WAYWQWQTSA-N,,,,,,,,,,,
100.050.124,255-155-9,40948-95-6,Bis(3-aminopropyl)[3-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]-4-methoxybenzyl]methylammonium chloride,3-amino-N-(3-aminopropyl)-N-[3-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)-4-methoxybenzyl]-N-methylpropan-1-aminium chloride,[Cl-].COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)C[N+](C)(CCCN)CCCN,[Cl-].COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)C[N+](C)(CCCN)CCCN,"InChI=1/C33H40N6O4.ClH/c1-39(18-8-16-34,19-9-17-35)22-23-14-15-30(43-3)28(20-23)37-38-31-25-11-5-4-10-24(25)21-26(32(31)40)33(41)36-27-12-6-7-13-29(27)42-2;/h4-7,10-15,20-21H,8-9,16-19,22,34-35H2,1-3H3,(H-,36,37,40,41);1H",C33H41N6O4.Cl,,,,,,ZYSPBVNAHXGHFC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.627,256-809-6,50857-48-2,"1-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-3-tetradecylpyrrolidine-2,5-dione","1-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)-3-tetradecylpyrrolidine-2,5-dione",CCCCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN)C1=O,CCCCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN)C1=O,"InChI=1/C26H53N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-23-25(32)31(26(24)33)22-21-30-20-19-29-18-17-28-16-15-27/h24,28-30H,2-23,27H2,1H3",C26H53N5O2,,,,,,KCIOIFJVNZPLMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.631,256-813-8,50862-89-0,"Lauric acid, compound with 2-amino-2-methylpropan-1-ol (1:1)",dodecanoic acid - 2-amino-2-methylpropan-1-ol (1:1),CCCCCCCCCCCC(=O)O.CC(C)(N)CO,CCCCCCCCCCCC(=O)O.CC(C)(N)CO,"InChI=1/C12H24O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4(2,5)3-6/h2-11H2,1H3,(H,13,14);6H,3,5H2,1-2H3",C12H24O2.C4H11NO,,,,,,DHWJXTTXOWSBFM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.892,257-100-4,51274-83-0,"N-(2-chloro-4-methyl-3-thienyl)-4,5-dihydro-1H-imidazol-2-amine monohydrochloride","N-(2-chloro-4-methyl-3-thienyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride",Cl.Cc1csc(Cl)c1NC2=NCCN2,Cl.Cc1csc(Cl)c1NC2=NCCN2,"InChI=1/C8H10ClN3S.ClH/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8;/h4H,2-3H2,1H3,(H2,10,11,12);1H",C8H10ClN3S.ClH,,,,,,RPZYVGSSBVNVCS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.899,257-108-8,51283-38-6,"1,1-dimethyl-3-oxobutylammonium hydrogen oxalate hydrate","1,1-dimethyl-3-oxobutylammonium hydrogen oxalate hydrate",O.CC(=O)CC(C)(C)[NH3+].OC(=O)C(=O)[O-],O.CC(=O)CC(C)(C)[NH3+].OC(=O)C(=O)[O-],"InChI=1/C6H13NO.C2H2O4.H2O/c1-5(8)4-6(2,3)7;3-1(4)2(5)6;/h4,7H2,1-3H3;(H,3,4)(H,5,6);1H2",C6H13NO.xC2H2O4,,,,,,WTWLHIRBZWLOBP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.902,257-111-4,51287-84-4,Bis(dodecylthio)dimethylstannane,bis(dodecylsulfanyl)(dimethyl)stannane,CCCCCCCCCCCCS[Sn](C)(C)SCCCCCCCCCCCC,CCCCCCCCCCCCS[Sn](C)(C)SCCCCCCCCCCCC,"InChI=1/2C12H26S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;;;/h2*13H,2-12H2,1H3;2*1H3;/q;;;;+2/p-2/rC26H56S2Sn/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3",C26H56S2Sn,,,,,,STFIYNYAZIBJNK-UHFFFAOYSA-L,,,,,,,,,,,
100.051.904,257-114-0,51290-65-4,4-(p-tert-butylphenyl)butan-2-ol,4-(4-tert-butylphenyl)butan-2-ol,CC(O)CCc1ccc(cc1)C(C)(C)C,CC(O)CCc1ccc(cc1)C(C)(C)C,"InChI=1/C14H22O/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4/h7-11,15H,5-6H2,1-4H3",C14H22O,,,,,,OATMQLUGSMOYRV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.905,257-115-6,51293-89-1,2-[[(butylamino)carbonyl]oxy]ethyl methacrylate,2-[(butylcarbamoyl)oxy]ethyl methacrylate,CCCCNC(=O)OCCOC(=O)C(=C)C,CCCCNC(=O)OCCOC(=O)C(=C)C,"InChI=1/C11H19NO4/c1-4-5-6-12-11(14)16-8-7-15-10(13)9(2)3/h2,4-8H2,1,3H3,(H,12,14)",C11H19NO4,,,,,,DBONJWHQIKMBHG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.910,257-120-3,51300-90-4,tert-butyl hydrogen carbonate,tert-butyl hydrogen carbonate,CC(C)(C)OC(=O)O,CC(C)(C)OC(=O)O,"InChI=1/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7)",C5H10O3,,,,,,XKXIQBVKMABYQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.913,257-124-5,51304-58-6,4-phenylpiperidine-4-carbonitrile hydrochloride,4-phenylpiperidine-4-carbonitrile hydrochloride,Cl.N#CC1(CCNCC1)c2ccccc2,Cl.N#CC1(CCNCC1)c2ccccc2,"InChI=1/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H",C12H14N2.ClH,,,,,,CQPHZBOPSZGTJM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.067,258-393-1,53151-01-2,4-[(4-chloro-2-methylphenyl)azo]-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide,4-[(4-chloro-2-methylphenyl)diazenyl]-N-(3-chlorophenyl)-3-hydroxy-2-naphthamide,Clc4cc(NC(=O)c3cc1ccccc1c(N=Nc2ccc(Cl)cc2C)c3O)ccc4,Clc4cc(NC(=O)c3cc1ccccc1c(N=Nc2ccc(Cl)cc2C)c3O)ccc4,"InChI=1/C24H17Cl2N3O2/c1-14-11-17(26)9-10-21(14)28-29-22-19-8-3-2-5-15(19)12-20(23(22)30)24(31)27-18-7-4-6-16(25)13-18/h2-13,30H,1H3,(H,27,31)",C24H17Cl2N3O2,,,,,,QBXIINPDMOXVKS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.069,258-395-2,53151-84-1,1-(2-amino-4-imino-(4H)-thiazol-5-ylidene)-1H-isoindol-3-amine,"5-(3-imino-2,3-dihydro-1H-isoindol-1-ylidene)-1,3-thiazolidine-2,4-diimine",N=C1NC(=N)C(=C2NC(=N)c3ccccc23)S1,N=C1NC(=N)C(=C2NC(=N)c3ccccc23)S1,"InChI=1/C11H9N5S/c12-9-6-4-2-1-3-5(6)7(15-9)8-10(13)16-11(14)17-8/h1-4H,(H2,12,15)(H3,13,14,16)",C11H9N5S,,,,,,PWNSYKFZCBUUTH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.075,258-401-3,53161-46-9,"3-hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate","3-hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)32-25-27(22-28,23-29)24-30/h28-30H,2-25H2,1H3",C27H54O5,,,,,,ZKIVRAADAKTRIO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.083,258-410-2,53171-44-1,Didocosylamine,N-docosyldocosan-1-amine,CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C44H91N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45H,3-44H2,1-2H3",C44H91N,,,,,,QUISWUAUMRRNFA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.084,258-411-8,53172-03-5,1-(4-hydroxy-3-methoxyphenyl)nonan-3-one,1-(4-hydroxy-3-methoxyphenyl)nonan-3-one,CCCCCCC(=O)CCc1ccc(O)c(OC)c1,CCCCCCC(=O)CCc1ccc(O)c(OC)c1,"InChI=1/C16H24O3/c1-3-4-5-6-7-14(17)10-8-13-9-11-15(18)16(12-13)19-2/h9,11-12,18H,3-8,10H2,1-2H3",C16H24O3,,,,,,CLNNPXNIUKIPIP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.091,258-419-1,53184-75-1,Isopropylidenedi-p-phenylenebis[bis[(3-ethyl-3-oxetanyl)methyl]phosphine],"tetrakis[(3-ethyloxetan-3-yl)methyl] propane-2,2-diyldi-4,1-phenylene bis(phosphite)",CCC1(COP(OCC2(CC)COC2)Oc3ccc(cc3)C(C)(C)c4ccc(OP(OCC5(CC)COC5)OCC6(CC)COC6)cc4)COC1,CCC1(COP(OCC2(CC)COC2)Oc3ccc(cc3)C(C)(C)c4ccc(OP(OCC5(CC)COC5)OCC6(CC)COC6)cc4)COC1,"InChI=1/C39H58O10P2/c1-7-36(19-40-20-36)27-44-50(45-28-37(8-2)21-41-22-37)48-33-15-11-31(12-16-33)35(5,6)32-13-17-34(18-14-32)49-51(46-29-38(9-3)23-42-24-38)47-30-39(10-4)25-43-26-39/h11-18H,7-10,19-30H2,1-6H3",C39H58O10P2,,,,,,PUAGNYNQTTXELE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.094,258-422-8,53188-07-1,"6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid","6-hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid",Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)O,Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)O,"InChI=1/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)",C14H18O4,,,,,,GLEVLJDDWXEYCO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.832,253-734-0,37971-99-6,"1,1'-(9H-xanthene-2,7-diyl)bis[2-(dimethylamino)ethanone] dihydrochloride","1,1'-(9H-xanthene-2,7-diyl)bis[2-(dimethylamino)ethanone] dihydrochloride",Cl.Cl.CN(C)CC(=O)c1ccc2Oc3ccc(cc3Cc2c1)C(=O)CN(C)C,Cl.Cl.CN(C)CC(=O)c1ccc2Oc3ccc(cc3Cc2c1)C(=O)CN(C)C,"InChI=1/C21H24N2O3.2ClH/c1-22(2)12-18(24)14-5-7-20-16(9-14)11-17-10-15(6-8-21(17)26-20)19(25)13-23(3)4;;/h5-10H,11-13H2,1-4H3;2*1H",C21H24N2O3.2ClH,,,,,,KDTTYYSNCRIKOI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.835,253-737-7,37981-14-9,Butyl cyclohex-3-ene-1-carboxylate,butyl cyclohex-3-ene-1-carboxylate,CCCCOC(=O)C1CCC=CC1,CCCCOC(=O)C1CCC=CC1,"InChI=1/C11H18O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-5,10H,2-3,6-9H2,1H3",C11H18O2,,,,,,QEMXXENZTVUGPT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.844,253-747-1,38020-69-8,4-amino-N-methylbenzylamine,4-[(methylamino)methyl]aniline,CNCc1ccc(N)cc1,CNCc1ccc(N)cc1,"InChI=1/C8H12N2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3",C8H12N2,,,,,,FTAMTADBFJSWRE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.852,253-756-0,38049-28-4,"6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-butyraldehyde","4-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)butanal",CC1(C)C2CC=C(CCCC=O)C1C2,CC1(C)C2CC=C(CCCC=O)C1C2,"InChI=1/C13H20O/c1-13(2)11-7-6-10(12(13)9-11)5-3-4-8-14/h6,8,11-12H,3-5,7,9H2,1-2H3",C13H20O,,,,,,OAOCPPMHQWFIRS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.853,253-757-6,38049-29-5,"Methyl 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-butyrate","methyl 4-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)butanoate",COC(=O)CCCC1=CCC2CC1C2(C)C,COC(=O)CCCC1=CCC2CC1C2(C)C,"InChI=1/C14H22O2/c1-14(2)11-8-7-10(12(14)9-11)5-4-6-13(15)16-3/h7,11-12H,4-6,8-9H2,1-3H3",C14H22O2,,,,,,MBUKQPVDYQVJCI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.857,253-761-8,38051-57-9,Chlorodecyldimethylsilane,chloro(decyl)dimethylsilane,CCCCCCCCCC[Si](C)(C)Cl,CCCCCCCCCC[Si](C)(C)Cl,"InChI=1/C12H27ClSi/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3",C12H27ClSi,,,,,,ZLZGHBNDPINFKG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.862,253-767-0,38059-43-7,Ethyl 2-methyl-6-propylnicotinate,ethyl 2-methyl-6-propylnicotinate,CCCc1ccc(C(=O)OCC)c(C)n1,CCCc1ccc(C(=O)OCC)c(C)n1,"InChI=1/C12H17NO2/c1-4-6-10-7-8-11(9(3)13-10)12(14)15-5-2/h7-8H,4-6H2,1-3H3",C12H17NO2,,,,,,WEOJOGGMINAUKY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.176,257-412-0,51773-92-3,"(R*,S*)-(±)-a-2-piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol monohydrochloride","[2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol",OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F,OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F,"InChI=1/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2",C17H16F6N2O.ClH,,,,,,XEEQGYMUWCZPDN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.184,257-420-4,51787-87-2,a-(3-chloropropyl)-4-fluorobenzyl alcohol,4-chloro-1-(4-fluorophenyl)butan-1-ol,OC(CCCCl)c1ccc(F)cc1,OC(CCCCl)c1ccc(F)cc1,"InChI=1/C10H12ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6,10,13H,1-2,7H2",C10H12ClFO,,,,,,YTEUQGXRCFYPSA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.188,257-425-1,51795-88-1,2-[(10-bromodecyl)oxy]tetrahydro-2H-pyran,2-[(10-bromodecyl)oxy]tetrahydro-2H-pyran,BrCCCCCCCCCCOC1CCCCO1,BrCCCCCCCCCCOC1CCCCO1,"InChI=1/C15H29BrO2/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h15H,1-14H2",C15H29BrO2,,,,,,CRFTXRBAGSTOLW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.192,257-429-3,51800-98-7,"(1R)-1,7,7-trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-one","1,7,7-trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-one",CC1(C)C2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)F,CC1(C)C2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)F,"InChI=1/C12H15F3O2/c1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15/h6-7H,4-5H2,1-3H3",C12H15F3O2,,,,,,ISLOIHOAZDSEAJ-OGIFLDNPSA-N,,,,,,,,,,,
100.052.198,257-436-1,51807-11-5,Ethylenebis(methylphosphinic) acid,"ethane-1,2-diylbis[methyl(phosphinic acid)]",CP(=O)(O)CCP(=O)(C)O,CP(=O)(O)CCP(=O)(C)O,"InChI=1/C4H12O4P2/c1-9(5,6)3-4-10(2,7)8/h3-4H2,1-2H3,(H,5,6)(H,7,8)",C4H12O4P2,,,,,,SZVKQZFCZHMLDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.199,257-437-7,51810-70-9,Zinc phosphide,zinc bis[zinciophosphate(1-)],[Zn]=P[Zn]P=[Zn],[Zn]=P[Zn]P=[Zn],InChI=1/2P.3Zn/rP2Zn3/c3-1-5-2-4,-,,,,,,NQDYSWQRWWTVJU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.211,257-450-8,51821-82-0,Sodium (Z)-N-methyl-N-9-octadecenylaminoacetate,sodium [methyl(octadec-9-en-1-yl)amino]acetate,CCCCCCCCC=CCCCCCCCCN(C)CC(=O)O[Na],CCCCCCCCC=CCCCCCCCCN(C)CC(=O)O[Na],"InChI=1/C21H41NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21(23)24;/h10-11H,3-9,12-20H2,1-2H3,(H,23,24);/q;+1/p-1",C21H41NO2.Na,,,,,,CRUUTKINBOXHMH-UHFFFAOYSA-M,,,,,,,,,,,
100.050.085,255-112-4,40853-55-2,2-isopropyl-5-methylhexyl acetate,2-isopropyl-5-methylhexyl acetate,CC(C)CCC(COC(=O)C)C(C)C,CC(C)CCC(COC(=O)C)C(C)C,"InChI=1/C12H24O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h9-10,12H,6-8H2,1-5H3",C12H24O2,,,,,,QLFSGYMLVZGFJT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.086,255-114-5,40853-56-3,2-isopropyl-5-methylhex-2-enyl acetate,2-isopropyl-5-methylhex-2-en-1-yl acetate,CC(=O)OCC(=CCC(C)C)C(C)C,CC(=O)OCC(=CCC(C)C)C(C)C,"InChI=1/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h7,9-10H,6,8H2,1-5H3",C12H22O2,,,,,,AOWLXZIJUIFJPM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.384,262-042-8,60066-53-7,"Ethyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate","ethyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate",CCOC(=O)CC(C)(C)C(Cl)CC(Cl)(Cl)Cl,CCOC(=O)CC(C)(C)C(Cl)CC(Cl)(Cl)Cl,"InChI=1/C10H16Cl4O2/c1-4-16-8(15)6-9(2,3)7(11)5-10(12,13)14/h7H,4-6H2,1-3H3",C10H16Cl4O2,,,,,,IKYLWHDWLWHILP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.385,262-043-3,60066-88-8,"2,6-dimethyl-10-methylenedodeca-2,6,11-trien-1-al","2,6-dimethyl-10-methylenedodeca-2,6,11-trienal",C=C(C=C)CCC=C(C)CCC=C(C)C=O,C=C(C=C)CCC=C(C)CCC=C(C)C=O,"InChI=1/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3",C15H22O,,,,,,NOPLRNXKHZRXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.056.388,262-047-5,60077-42-1,"3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulphonic acid","3-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulfonic acid",Oc1cc(cc2c1ccc3nc(ccc23)C4C(=O)c5ccccc5C4=O)S(=O)(=O)O,Oc1cc(cc2c1ccc3nc(ccc23)C4C(=O)c5ccccc5C4=O)S(=O)(=O)O,"InChI=1/C22H13NO6S/c24-19-10-11(30(27,28)29)9-16-12-5-8-18(23-17(12)7-6-13(16)19)20-21(25)14-3-1-2-4-15(14)22(20)26/h1-10,20,24H,(H,27,28,29)",C22H13NO6S,,,,,,HEHNFVCBKKQGPG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.391,262-050-1,60088-54-2,"(2,3,5,6-2H4)terephthalic acid",terephthalic acid,OC(=O)c1ccc(cc1)C(=O)O,OC(=O)c1ccc(cc1)C(=O)O,"InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",C8H2D4O4,,,,,,KKEYFWRCBNTPAC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.392,262-051-7,60089-53-4,Diisopropyl tetrasulphide,diisopropyltetrasulfane,CC(C)SSSSC(C)C,CC(C)SSSSC(C)C,"InChI=1/C6H14S4/c1-5(2)7-9-10-8-6(3)4/h5-6H,1-4H3",C6H14S4,,,,,,ZYQXAWUHKYAPTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.397,262-056-4,60111-47-9,"3-[(dimethylvinylsilyl)oxy]-1,1,5,5-tetramethyl-3-phenyl-1,5-divinyltrisiloxane","3-{[dimethyl(vinyl)silyl]oxy}-1,1,5,5-tetramethyl-3-phenyl-1,5-divinyltrisiloxane",C[Si](C)(O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)c1ccccc1)C=C,C[Si](C)(O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)c1ccccc1)C=C,"InChI=1/C18H32O3Si4/c1-10-22(4,5)19-25(20-23(6,7)11-2,21-24(8,9)12-3)18-16-14-13-15-17-18/h10-17H,1-3H2,4-9H3",C18H32O3Si4,,,,,,XYVYGTWMOAIWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.398,262-058-5,60111-48-0,"3-hexyl-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxane","3-hexyl-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxane",CCCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,CCCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C15H40O3Si4/c1-11-12-13-14-15-22(16-19(2,3)4,17-20(5,6)7)18-21(8,9)10/h11-15H2,1-10H3",C15H40O3Si4,,,,,,XUWFUXWTRJNRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.403,262-063-2,60113-74-8,"1-(difluoromethoxy)-1,2,2-trifluoroethane","1-(difluoromethoxy)-1,2,2-trifluoroethane",FC(F)OC(F)C(F)F,FC(F)OC(F)C(F)F,InChI=1/C3H3F5O/c4-1(5)2(6)9-3(7)8/h1-3H,C3H3F5O,,,,,,KQUULKREOKHZAM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.404,262-064-8,60114-74-1,tert-dodecyl trichloromethyl disulphide,"1,1-dimethyldecyl trichloromethyl disulfide",CCCCCCCCCC(C)(C)SSC(Cl)(Cl)Cl,CCCCCCCCCC(C)(C)SSC(Cl)(Cl)Cl,"InChI=1/C13H25Cl3S2/c1-4-5-6-7-8-9-10-11-12(2,3)17-18-13(14,15)16/h4-11H2,1-3H3",C13H25Cl3S2,,,,,,HQMWYXQYQCOBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.409,262-070-0,60129-39-7,2-[[4-(phenylamino)-1-naphthyl]azo]benzoic acid,2-[(4-anilino-1-naphthyl)diazenyl]benzoic acid,OC(=O)c4ccccc4N=Nc2ccc(Nc1ccccc1)c3ccccc23,OC(=O)c4ccccc4N=Nc2ccc(Nc1ccccc1)c3ccccc23,"InChI=1/C23H17N3O2/c27-23(28)19-12-6-7-13-21(19)25-26-22-15-14-20(17-10-4-5-11-18(17)22)24-16-8-2-1-3-9-16/h1-15,24H,(H,27,28)",C23H17N3O2,,,,,,RACYGOQFTYQMKP-UHFFFAOYSA-N,,,,,,,,,,,
100.056.414,262-075-8,60142-95-2,1-(aminomethyl)cyclohexaneacetic acid hydrochloride,[1-(aminomethyl)cyclohexyl]acetic acid hydrochloride,Cl.NCC1(CC(=O)O)CCCCC1,Cl.NCC1(CC(=O)O)CCCCC1,"InChI=1/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H",C9H17NO2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2160,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.414,XBUDZAQEMFGLEU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.416,262-077-9,60143-55-7,"4-[[4-[[1-[[(2,4-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]azo]benzenesulphonic acid","4-{[4-({1-[(2,4-dimethoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)phenyl]diazenyl}benzenesulfonic acid",COc3cc(ccc3NC(=O)C(N=Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2)C(C)=O)OC,COc3cc(ccc3NC(=O)C(N=Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2)C(C)=O)OC,"InChI=1/C24H23N5O7S/c1-15(30)23(24(31)25-21-13-10-19(35-2)14-22(21)36-3)29-28-17-6-4-16(5-7-17)26-27-18-8-11-20(12-9-18)37(32,33)34/h4-14,23H,1-3H3,(H,25,31)(H,32,33,34)",C24H23N5O7S,,,,,,UNJKOJFODAGWEV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.772,263-569-6,62480-03-9,"Octadecyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9-dienoate","octadecyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9-dien-1-oate",CCCCCCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/2C22H40O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-5-7-8-6-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC60H112O8Sn/c1-5-9-13-17-21-23-25-27-29-31-33-35-37-39-41-45-53-65-57(61)49-51-59(63)67-69(55-47-43-19-15-11-7-3,56-48-44-20-16-12-8-4)68-60(64)52-50-58(62)66-54-46-42-40-38-36-34-32-30-28-26-24-22-18-14-10-6-2/h49-52H,5-48,53-56H2,1-4H3",C60H112O8Sn,,,,,,CHOXPWSDXIXQDY-YPKQJYFLSA-L,,,,,,,,,,,
100.051.636,256-819-0,50869-34-6,"O-(2,4-dichlorophenyl) S-(2-ethoxyethyl) methyldithiophosphonate","O-(2,4-dichlorophenyl) S-(2-ethoxyethyl) methylphosphonodithioate",CCOCCSP(=S)(C)Oc1ccc(Cl)cc1Cl,CCOCCSP(=S)(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C11H15Cl2O2PS2/c1-3-14-6-7-18-16(2,17)15-11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7H2,1-2H3",C11H15Cl2O2PS2,,,,,,AXKFJWAUUAXWJG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.637,256-820-6,50876-33-0,"1,1,3,3-tetramethylcyclopentane","1,1,3,3-tetramethylcyclopentane",CC1(C)CCC(C)(C)C1,CC1(C)CCC(C)(C)C1,"InChI=1/C9H18/c1-8(2)5-6-9(3,4)7-8/h5-7H2,1-4H3",C9H18,,,,,,YWYCGTZNHWYQBD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.638,256-821-1,50876-87-4,"(Z)-1-(2,2-dimethoxyethoxy)hex-3-ene","1-(2,2-dimethoxyethoxy)hex-3-ene",CC\\C=C/CCOCC(OC)OC,CC\C=C/CCOCC(OC)OC,"InChI=1/C10H20O3/c1-4-5-6-7-8-13-9-10(11-2)12-3/h5-6,10H,4,7-9H2,1-3H3",C10H20O3,,,,,,WDYJCIRZUJWNDO-WAYWQWQTSA-N,,,,,,,,,,,
100.051.640,256-823-2,50877-92-4,"Succinic acid, compound with urea (1:1)",urea succinate,NC(=O)N.OC(=O)CCC(=O)O,NC(=O)N.OC(=O)CCC(=O)O,"InChI=1/C4H6O4.CH4N2O/c5-3(6)1-2-4(7)8;2-1(3)4/h1-2H2,(H,5,6)(H,7,8);(H4,2,3,4)",C4H6O4.CH4N2O,,,,,,PUZJRIRVFOEKSY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.655,256-840-5,50909-06-3,Bis(2-hydroxyethyl)ammonium hydrogen maleate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium hydrogen but-2-enedioate,OCC[NH2+]CCO.[O-]C(=O)\\C=C/C(=O)[O-],OCC[NH2+]CCO.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H11NO2.C4H4O4/c6-3-1-5-2-4-7;5-3(6)1-2-4(7)8/h5-7H,1-4H2;1-2H,(H,5,6)(H,7,8)/p-1",C4H11NO2.xC4H4O4,,,,,,XFPBYAYVIIVRTQ-BTJKTKAUSA-M,,,,,,,,,,,
100.051.662,256-847-3,50921-39-6,1-(p-chlorophenyl)cyclobutanecarboxylic acid,1-(4-chlorophenyl)cyclobutanecarboxylic acid,OC(=O)C1(CCC1)c2ccc(Cl)cc2,OC(=O)C1(CCC1)c2ccc(Cl)cc2,"InChI=1/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)",C11H11ClO2,,,,,,XYSRHOKREWGGFE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.484,258-852-6,53896-08-5,"2,2-bis[[(2-methyl-1-oxopentadecyl)oxy]methyl]propane-1,3-diyl bis(2-methylpentadecanoate)","3-[(2-methylpentadecanoyl)oxy]-2,2-bis{[(2-methylpentadecanoyl)oxy]methyl}propyl 2-methylpentadecanoate (non-preferred name)",CCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCC,"InChI=1/C69H132O8/c1-9-13-17-21-25-29-33-37-41-45-49-53-61(5)65(70)74-57-69(58-75-66(71)62(6)54-50-46-42-38-34-30-26-22-18-14-10-2,59-76-67(72)63(7)55-51-47-43-39-35-31-27-23-19-15-11-3)60-77-68(73)64(8)56-52-48-44-40-36-32-28-24-20-16-12-4/h61-64H,9-60H2,1-8H3",C69H132O8,,,,,,VEVZORQNYSBQJN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.488,258-856-8,53907-46-3,Methyl 2-mercaptopropionate,methyl 2-sulfanylpropanoate,COC(=O)C(C)S,COC(=O)C(C)S,"InChI=1/C4H8O2S/c1-3(7)4(5)6-2/h3,7H,1-2H3",C4H8O2S,,,,,,SNWKNPMDQONHKK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.489,258-857-3,53911-35-6,3-phenyl-4-propylpyridine,3-phenyl-4-propylpyridine,CCCc1ccncc1c2ccccc2,CCCc1ccncc1c2ccccc2,"InChI=1/C14H15N/c1-2-6-12-9-10-15-11-14(12)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3",C14H15N,,,,,,MDEOSZGDWLTQLL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.627,253-509-7,37449-92-6,Glycerol dilactate,"3-hydroxypropane-1,2-diyl bis(2-hydroxypropanoate)",CC(O)C(=O)OCC(CO)OC(=O)C(C)O,CC(O)C(=O)OCC(CO)OC(=O)C(C)O,"InChI=1/C9H16O7/c1-5(11)8(13)15-4-7(3-10)16-9(14)6(2)12/h5-7,10-12H,3-4H2,1-2H3",C9H16O7,,,,,,PVSDCKDNZFNSMO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.630,253-512-3,37460-43-8,2-ethoxyethyl 4-nitrobenzoate,2-ethoxyethyl 4-nitrobenzoate,CCOCCOC(=O)c1ccc(cc1)[N+](=O)[O-],CCOCCOC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H13NO5/c1-2-16-7-8-17-11(13)9-3-5-10(6-4-9)12(14)15/h3-6H,2,7-8H2,1H3",C11H13NO5,,,,,,JVKUSNIMTZCOMW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.639,253-522-8,37481-13-3,"Titanium(4+) 2,2',2''-nitrilotrisethanolate","titanium(4+) 2,2',2''-nitrilotrisethanolate",[Ti+4].[Ti+4].[Ti+4].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-],[Ti+4].[Ti+4].[Ti+4].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-],InChI=1/4C6H12NO3.3Ti/c4*8-4-1-7(2-5-9)3-6-10;;;/h4*1-6H2;;;/q4*-3;3*+4,C6H15NO3.xTi,,,,,,DOJHSAKTDYSNNO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.640,253-523-3,37482-11-4,Sodium 2-mercaptoethanolate,sodium 2-sulfanylethanolate,[Na+].[O-]CCS,[Na+].[O-]CCS,"InChI=1/C2H5OS.Na/c3-1-2-4;/h4H,1-2H2;/q-1;+1",C2H6OS.Na,,,,,,RYBWXHDKJVRTES-UHFFFAOYSA-N,,,,,,,,,,,
100.048.641,253-524-9,37486-72-9,Ethyl 2-decenoate,ethyl dec-2-enoate,CCOC(=O)C=CCCCCCCC,CCOC(=O)C=CCCCCCCC,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,GNJARWZWODMTDR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.644,253-528-0,37492-43-6,2-hexyl-3-(1-oxopropyl)cyclopentan-1-one,2-hexyl-3-propionylcyclopentanone,CCCCCCC1C(CCC1=O)C(=O)CC,CCCCCCC1C(CCC1=O)C(=O)CC,"InChI=1/C14H24O2/c1-3-5-6-7-8-11-12(13(15)4-2)9-10-14(11)16/h11-12H,3-10H2,1-2H3",C14H24O2,,,,,,WVTTZKJVUNCKHG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.675,255-761-3,42343-36-2,Butyl isodecyl phthalate,butyl 8-methylnonyl phthalate,CCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,CCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,"InChI=1/C22H34O4/c1-4-5-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-12-8-6-7-9-13-18(2)3/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3",C22H34O4,,,,,,IOVNHINTOHPELQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.690,255-778-6,42370-06-9,"1-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)ethan-1-one","1-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)ethanone",CC(=O)C1C2CC(C=C2)C1(C)C,CC(=O)C1C2CC(C=C2)C1(C)C,"InChI=1/C11H16O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h4-5,8-10H,6H2,1-3H3",C11H16O,,,,,,SCWUMJVMCMYITJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.691,255-779-1,42370-07-0,"1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethan-1-one","1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethanone",CC(=O)C1C2CCC(C2)C1(C)C,CC(=O)C1C2CCC(C2)C1(C)C,"InChI=1/C11H18O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h8-10H,4-6H2,1-3H3",C11H18O,,,,,,NGTMQRCBACIUES-UHFFFAOYSA-N,,,,,,,,,,,
100.050.697,255-785-4,42373-04-6,3-methyl-2-[(1-methyl-2-phenyl-1H-indol-3-yl)azo]thiazolium chloride,"3-methyl-2-[(1-methyl-2-phenyl-1H-indol-3-yl)diazenyl]-1,3-thiazol-3-ium chloride",[Cl-].Cn3c(c(N=Nc1scc[n+]1C)c2ccccc23)c4ccccc4,[Cl-].Cn3c(c(N=Nc1scc[n+]1C)c2ccccc23)c4ccccc4,"InChI=1/C19H17N4S.ClH/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;/h3-13H,1-2H3;1H/q+1;/p-1",C19H17N4S.Cl,,,,,,WMAVHUWINYPPKT-UHFFFAOYSA-M,,,,,,,,,,,
100.050.701,255-790-1,42381-20-4,Butyl 2-[[3-[[[2-(diethylamino)-5-[(octadecylamino)sulphonyl]phenyl]amino]carbonyl]-4-hydroxy-1-naphthyl]azo]benzoate,butyl 2-[(3-{[2-(diethylamino)-5-(octadecylsulfamoyl)phenyl]carbamoyl}-4-hydroxy-1-naphthyl)diazenyl]benzoate,CCCCCCCCCCCCCCCCCCNS(=O)(=O)c4cc(NC(=O)c3cc(N=Nc1ccccc1C(=O)OCCCC)c2ccccc2c3O)c(cc4)N(CC)CC,CCCCCCCCCCCCCCCCCCNS(=O)(=O)c4cc(NC(=O)c3cc(N=Nc1ccccc1C(=O)OCCCC)c2ccccc2c3O)c(cc4)N(CC)CC,"InChI=1/C50H71N5O6S/c1-5-9-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35-51-62(59,60)39-33-34-47(55(7-3)8-4)46(37-39)52-49(57)43-38-45(40-29-24-25-30-41(40)48(43)56)54-53-44-32-27-26-31-42(44)50(58)61-36-10-6-2/h24-27,29-34,37-38,51,56H,5-23,28,35-36H2,1-4H3,(H,52,57)",C50H71N5O6S,,,,,,NXJMKCPFHWVMKG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.702,255-791-7,42383-61-9,Imidazol-2-ylamine sulphate,1H-imidazol-2-amine sulfate,Nc1ncc[nH]1.OS(=O)(=O)O,Nc1ncc[nH]1.OS(=O)(=O)O,"InChI=1/C3H5N3.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h1-2H,(H3,4,5,6);(H2,1,2,3,4)",C3H5N3.xH2O4S,,,,,,LEUJVEZIEALICS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.582,253-460-1,37321-09-8,Apramycin,"5-amino-2-({7-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (non-preferred name)",CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O,CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O,"InChI=1/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3",C21H41N5O11,,,,,,XZNUGFQTQHRASN-XQENGBIVSA-N,,,,,,,,,,,
100.048.603,253-483-7,37350-58-6,Metoprolol,1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,COCCc1ccc(OCC(O)CNC(C)C)cc1,COCCc1ccc(OCC(O)CNC(C)C)cc1,"InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",C15H25NO3,,,,,,IUBSYMUCCVWXPE-UHFFFAOYSA-N,Positive,AU110701;EA017201|EA017202|EA017203|EA017204|EA017205|EA017206|EA017207|EA017208|EA017209|EA017210|EA017211|EA017212|EA017213|EA017214;TUE00531|TUE00532|TUE00533;UF407201|UF407202|UF407203|UF407204,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID20.5-30.7;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55,268.1923:74.0597:72.0804;191.1067:116.107:218.1538|268.191|268.1904:116.107:191.1069|268.1904:116.107:74.0601|133.0647:74.06:121.0647|133.0649:121.0648:74.06|103.0542:105.0698:121.0647|268.1909|268.191:116.107:191.1066|268.1908:116.1071:74.0601|133.0648:74.0601:121.0648|133.0648:121.0648:105.0699|103.0542:105.0699:91.0542|191.1067:116.107:218.1539;268.1912:116.107:72.0807|268.1911:74.0602:72.0808|56.0495:74.0602:103.0543;133.0649:116.1071:121.0649|103.0543:105.0699:121.0648|268.1911:191.1069:116.1071|191.1069:116.1071:159.0806,Athens_Univ;Eawag;Env_Anal_Chem_U_Tuebingen;UFZ,,,,,
100.049.488,254-456-2,39445-37-9,"Copper, compound with samarium (17:2)",copper - samarium (17:2),[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Sm].[Sm],[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Sm].[Sm],InChI=1/17Cu.2Sm/q17*+1;2*+2,Cu.Sm,,,,,,RVONDSCGWBRUQF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.490,254-458-3,39454-62-1,"Ethanol, 2-butoxy-, phosphate",2-butoxyethyl phosphate,CCCCOCCOP(=O)([O-])[O-],CCCCOCCOP(=O)([O-])[O-],"InChI=1/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)/p-2",-,,,,,,TVAJJUOMNRUGQA-UHFFFAOYSA-L,,,,,,,,,,,
100.051.000,256-119-5,43151-71-9,"Disodium 4-amino-3-[[4-[[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-{[4-({4-[(2-amino-4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Nc6cc(O)ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5,[Na+].[Na+].Nc6cc(O)ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5,"InChI=1/C35H27N9O9S2.2Na/c36-26-18-25(45)14-15-27(26)42-39-24-12-10-21(11-13-24)38-35(47)19-6-8-23(9-7-19)41-43-32-28(54(48,49)50)16-20-17-29(55(51,52)53)33(34(46)30(20)31(32)37)44-40-22-4-2-1-3-5-22;;/h1-18,45-46H,36-37H2,(H,38,47)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C35H27N9O9S2.2Na,,,,,,BPCUDXGMRQEISH-UHFFFAOYSA-L,,,,,,,,,,,
100.051.001,256-120-0,43154-85-4,Disodium 1-[1-methyl-2-[(1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-[1-methyl-2-(oleoylamino)ethoxy]-4-oxo-3-sulfonatobutanoate,[Na+].[Na+].[O-]S(=O)(=O)C(CC([O-])=O)C(=O)OC(C)CNC(=O)CCCCCCCC=CCCCCCCCC,[Na+].[Na+].[O-]S(=O)(=O)C(CC([O-])=O)C(=O)OC(C)CNC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-25(30)22(19-24(28)29)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,28,29)(H,31,32,33);;/q;2*+1/p-2",C25H45NO8S.2Na,,,,,,KUZLAYSZNFYDFT-UHFFFAOYSA-L,,,,,,,,,,,
100.050.092,255-120-8,40870-59-5,4-methyl-3-nitrobenzyl alcohol,(4-methyl-3-nitrophenyl)methanol,Cc1ccc(CO)cc1[N+](=O)[O-],Cc1ccc(CO)cc1[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3",C8H9NO3,,,,,,URCWIFSXDARYLY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.093,255-121-3,40876-94-6,1-ethyl-2-methyl-1H-indole,1-ethyl-2-methyl-1H-indole,CCn1c(C)cc2ccccc12,CCn1c(C)cc2ccccc12,"InChI=1/C11H13N/c1-3-12-9(2)8-10-6-4-5-7-11(10)12/h4-8H,3H2,1-2H3",C11H13N,,,,,,XMOWAIVXKJWQBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.095,255-123-4,40877-09-6,"4,4'-dichlorobutyrophenone",4-chloro-1-(4-chlorophenyl)butan-1-one,ClCCCC(=O)c1ccc(Cl)cc1,ClCCCC(=O)c1ccc(Cl)cc1,"InChI=1/C10H10Cl2O/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2",C10H10Cl2O,,,,,,UKCHLVFIVJBCKE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.099,255-128-1,40882-89-1,5-(isopropyl)-2-methylcyclohex-2-ene-1-methyl acetate,(5-isopropyl-2-methylcyclohex-2-en-1-yl)methyl acetate,CC(C)C1CC=C(C)C(COC(=O)C)C1,CC(C)C1CC=C(C)C(COC(=O)C)C1,"InChI=1/C13H22O2/c1-9(2)12-6-5-10(3)13(7-12)8-15-11(4)14/h5,9,12-13H,6-8H2,1-4H3",C13H22O2,,,,,,UJOATSGMIACOJR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.100,255-129-7,40883-17-8,L-methionyl-L-isoleucine,L-methionyl-L-isoleucine,CCC(C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)O,CCC(C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)O,"InChI=1/C11H22N2O3S/c1-4-7(2)9(11(15)16)13-10(14)8(12)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)",C11H22N2O3S,,,,,,OGGRSJFVXREKOR-NPPUSCPJSA-N,,,,,,,,,,,
100.050.103,255-132-3,40893-04-7,2-methoxyphenyl 2-phenylbutyrate,2-methoxyphenyl 2-phenylbutanoate,CCC(C(=O)Oc1ccccc1OC)c2ccccc2,CCC(C(=O)Oc1ccccc1OC)c2ccccc2,"InChI=1/C17H18O3/c1-3-14(13-9-5-4-6-10-13)17(18)20-16-12-8-7-11-15(16)19-2/h4-12,14H,3H2,1-2H3",C17H18O3,,,,,,REXUDYYWQZRUFM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.104,255-133-9,40898-98-4,"1-amino-2,2-dimethylpropan-1-ol","1-amino-2,2-dimethylpropan-1-ol",CC(C)(C)C(N)O,CC(C)(C)C(N)O,"InChI=1/C5H13NO/c1-5(2,3)4(6)7/h4,7H,6H2,1-3H3",C5H13NO,,,,,,WXOWRMDTEXXRQY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.107,255-137-0,40908-37-0,"N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide","N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide",CC(=O)NC1CC(C)(C)NC(C)(C)C1,CC(=O)NC1CC(C)(C)NC(C)(C)C1,"InChI=1/C11H22N2O/c1-8(14)12-9-6-10(2,3)13-11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)",C11H22N2O,,,,,,HVXYQAREJSKQNE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.108,255-138-6,40910-49-4,"3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene","3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene",CCOC(C)OC(C)(CCC=C(C)C)C=C,CCOC(C)OC(C)(CCC=C(C)C)C=C,"InChI=1/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,10,13H,1,8-9,11H2,2-6H3",C14H26O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17459,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.108,ZJPKYCLAROITRY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.112,255-142-8,40928-83-4,"2,5-diisopropyl-1,3,4-thiadiazole","2,5-diisopropyl-1,3,4-thiadiazole",CC(C)c1nnc(s1)C(C)C,CC(C)c1nnc(s1)C(C)C,"InChI=1/C8H14N2S/c1-5(2)7-9-10-8(11-7)6(3)4/h5-6H,1-4H3",C8H14N2S,,,,,,OSNBUGBUMPTDKE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.116,255-147-5,40941-53-5,7-chloro-4-methylquinoline,7-chloro-4-methylquinoline,Cc1ccnc2cc(Cl)ccc12,Cc1ccnc2cc(Cl)ccc12,"InChI=1/C10H8ClN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-6H,1H3",C10H8ClN,,,,,,OUFGWFRCXZIEPM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.118,255-149-6,40942-73-2,3-(2-oxopropyl)-2-pentylcyclopentan-1-one,3-(2-oxopropyl)-2-pentylcyclopentanone,CCCCCC1C(CC(=O)C)CCC1=O,CCCCCC1C(CC(=O)C)CCC1=O,"InChI=1/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3",C13H22O2,,,,,,PMVDYAQAPLAXSY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.438,258-801-8,53817-39-3,N-butyl-N-(2-chloroethyl)aniline,N-butyl-N-(2-chloroethyl)aniline,CCCCN(CCCl)c1ccccc1,CCCCN(CCCl)c1ccccc1,"InChI=1/C12H18ClN/c1-2-3-10-14(11-9-13)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3",C12H18ClN,,,,,,NBTVRDMLLMEWOF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.439,258-802-3,53817-44-0,"3,4-dihydro-2,2,4,7-tetramethyl-2H-quinoline-1-ethanol","2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)ethanol",CC1CC(C)(C)N(CCO)c2cc(C)ccc12,CC1CC(C)(C)N(CCO)c2cc(C)ccc12,"InChI=1/C15H23NO/c1-11-5-6-13-12(2)10-15(3,4)16(7-8-17)14(13)9-11/h5-6,9,12,17H,7-8,10H2,1-4H3",C15H23NO,,,,,,DICAWUKDDRKZDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.440,258-803-9,53817-54-2,Diisononyl maleate,bis(7-methyloctyl) but-2-enedioate,CC(C)CCCCCCOC(=O)C=CC(=O)OCCCCCCC(C)C,CC(C)CCCCCCOC(=O)C=CC(=O)OCCCCCCC(C)C,"InChI=1/C22H40O4/c1-19(2)13-9-5-7-11-17-25-21(23)15-16-22(24)26-18-12-8-6-10-14-20(3)4/h15-16,19-20H,5-14,17-18H2,1-4H3",C22H40O4,,,,,,CBWMVXMQKDYZDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.445,258-809-1,53823-60-2,Disodium hexachloropalladate,disodium hexachloropalladate(2-),[Na+].[Na+].Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,[Na+].[Na+].Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.2Na.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rCl6Pd.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",Cl6Pd.2Na,,,,,,FIKPXZVAWLYQAF-UHFFFAOYSA-H,,,,,,,,,,,
100.053.460,258-825-9,53861-57-7,"(S)-3-aminopropane-1,1,3-tricarboxylic acid","3-aminopropane-1,1,3-tricarboxylic acid",N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O,N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O,"InChI=1/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)",C6H9NO6,,,,,,UHBYWPGGCSDKFX-VKHMYHEASA-N,,,,,,,,,,,
100.057.774,263-571-7,62488-56-6,"Nona-2,4-dien-1-ol","nona-2,4-dien-1-ol",CCCCC=CC=CCO,CCCCC=CC=CCO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3",C9H16O,,,,,,NCPWFIVLKCFWSP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.776,263-573-8,62498-67-3,"1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]isobenzofuran-5-carbonitrile","1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile",CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,"InChI=1/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3",C19H19FN2O,,,,,,PTJADDMMFYXMMG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.777,263-574-3,62501-24-0,"1-(3,7,7-trimethylbicyclo[4.1.0]heptenyl)ethan-1-one","1-(3,7,7-trimethylbicyclo[4.1.0]hept-2-en-1-yl)ethanone",CC(=O)C12C=C(C)CCC1C2(C)C,CC(=O)C12C=C(C)CCC1C2(C)C,"InChI=1/C12H18O/c1-8-5-6-10-11(3,4)12(10,7-8)9(2)13/h7,10H,5-6H2,1-4H3",C12H18O,,,,,,DVXYQEICZQAXOB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.779,263-576-4,62501-40-0,Methyl (2-hydroxy-1-phenylethylidene)carbazate,methyl 2-(2-hydroxy-1-phenylethylidene)hydrazinecarboxylate,COC(=O)NN=C(CO)c1ccccc1,COC(=O)NN=C(CO)c1ccccc1,"InChI=1/C10H12N2O3/c1-15-10(14)12-11-9(7-13)8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,12,14)",C10H12N2O3,,,,,,XVTUURKWLLHGKX-UHFFFAOYSA-N,,,,,,,,,,,
100.057.789,263-587-4,62546-04-7,"2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulphonic acid","2-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-4-[(2,3-dibromopropanoyl)amino]benzenesulfonic acid",O=C2/C(=C(/C)\\C(\\N=Nc1cc(NC(=O)C(Br)CBr)ccc1S(O)(=O)=O)=C(\\O)N2CC)C(N)=O,O=C2/C(=C(/C)\C(\N=Nc1cc(NC(=O)C(Br)CBr)ccc1S(O)(=O)=O)=C(\O)N2CC)C(N)=O,"InChI=1/C18H19Br2N5O7S/c1-3-25-17(28)13(15(21)26)8(2)14(18(25)29)24-23-11-6-9(22-16(27)10(20)7-19)4-5-12(11)33(30,31)32/h4-6,10,29H,3,7H2,1-2H3,(H2,21,26)(H,22,27)(H,30,31,32)",C18H19Br2N5O7S,,,,,,XVQUDMFIBXWVCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.791,263-590-0,62551-93-3,"Potassium (R)-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate","potassium cyclohexa-1,4-dien-1-yl[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate",[K+].COC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\\C=C/CC=1,[K+].COC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\C=C/CC=1,"InChI=1/C13H17NO4.K/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1",C13H17NO4.K,,,,,,VVBKTJWFOLQGBR-UTONKHPSSA-M,,,,,,,,,,,
100.057.792,263-591-6,62554-36-3,Phenyl 1-hydroxy-4-(4-nitrophenoxy)-2-naphthoate,phenyl 1-hydroxy-4-(4-nitrophenoxy)-2-naphthoate,Oc1c(cc(Oc2ccc(cc2)[N+](=O)[O-])c3ccccc13)C(=O)Oc4ccccc4,Oc1c(cc(Oc2ccc(cc2)[N+](=O)[O-])c3ccccc13)C(=O)Oc4ccccc4,"InChI=1/C23H15NO6/c25-22-19-9-5-4-8-18(19)21(29-17-12-10-15(11-13-17)24(27)28)14-20(22)23(26)30-16-6-2-1-3-7-16/h1-14,25H",C23H15NO6,,,,,,MHGYCNASCKWCTE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.802,263-602-4,62570-20-1,"2-[[4-[(2,4-dinitrophenyl)azo]phenyl]ethylamino]ethanol","2-[{4-[(2,4-dinitrophenyl)diazenyl]phenyl}(ethyl)amino]ethanol",CCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)cc2,CCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)cc2,"InChI=1/C16H17N5O5/c1-2-19(9-10-22)13-5-3-12(4-6-13)17-18-15-8-7-14(20(23)24)11-16(15)21(25)26/h3-8,11,22H,2,9-10H2,1H3",C16H17N5O5,,,,,,JJZVLVUELJRGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.803,263-604-5,62570-24-5,"4-amino-5-hydroxy-3-[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-3-sulphophenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonic acid","4-amino-5-hydroxy-3-{[4-({4-[(4-hydroxyphenyl)diazenyl]phenyl}amino)-3-sulfophenyl]diazenyl}-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",Oc6ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4S(O)(=O)=O)cc5)cc6,Oc6ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4S(O)(=O)=O)cc5)cc6,"InChI=1/C34H26N8O11S3/c35-31-30-19(17-29(56(51,52)53)33(34(30)44)42-39-21-4-2-1-3-5-21)16-28(55(48,49)50)32(31)41-40-24-12-15-26(27(18-24)54(45,46)47)36-20-6-8-22(9-7-20)37-38-23-10-13-25(43)14-11-23/h1-18,36,43-44H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)",C34H26N8O11S3,,,,,,LIKPRJJMRZYAOE-UHFFFAOYSA-N,,,,,,,,,,,
100.057.804,263-605-0,62570-47-2,Sodium p-[(4-amino-o-tolyl)azo]benzenesulphonate,sodium 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1C)cc2,[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1C)cc2,"InChI=1/C13H13N3O3S.Na/c1-9-8-10(14)2-7-13(9)16-15-11-3-5-12(6-4-11)20(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1",C13H13N3O3S.Na,,,,,,JGQVKYYHPKELMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.059.706,265-696-2,65321-43-9,"3,5-dimethoxy-4-(2-methoxyethoxy)benzaldehyde","3,5-dimethoxy-4-(2-methoxyethoxy)benzaldehyde",COCCOc1c(OC)cc(C=O)cc1OC,COCCOc1c(OC)cc(C=O)cc1OC,"InChI=1/C12H16O5/c1-14-4-5-17-12-10(15-2)6-9(8-13)7-11(12)16-3/h6-8H,4-5H2,1-3H3",C12H16O5,,,,,,HZEDXSOUEKTFMT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.715,265-706-5,65345-00-8,"Diethyl 2,2'-[(2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl)]diacetoacetate","diethyl 2,2'-[(2,2,4-trimethylhexane-1,6-diyl)dicarbamoyl]bis(3-oxobutanoate)",CCOC(=O)C(C(=O)C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C(=O)C)C(=O)OCC,CCOC(=O)C(C(=O)C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C(=O)C)C(=O)OCC,"InChI=1/C23H38N2O8/c1-8-32-21(30)17(15(4)26)19(28)24-11-10-14(3)12-23(6,7)13-25-20(29)18(16(5)27)22(31)33-9-2/h14,17-18H,8-13H2,1-7H3,(H,24,28)(H,25,29)",C23H38N2O8,,,,,,DZZVAZUMCSLYLL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.645,253-529-6,37493-70-2,Undecan-5-ol,undecan-5-ol,CCCCCCC(O)CCCC,CCCCCCC(O)CCCC,"InChI=1/C11H24O/c1-3-5-7-8-10-11(12)9-6-4-2/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,PCFOZHPCKQPZCN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.647,253-531-7,37498-62-7,2-[(2-hydroxy-1-naphthyl)azo]-5-methylbenzenesulphonic acid,2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonic acid,OS(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O,OS(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C17H14N2O4S/c1-11-6-8-14(16(10-11)24(21,22)23)18-19-17-13-5-3-2-4-12(13)7-9-15(17)20/h2-10,20H,1H3,(H,21,22,23)",C17H14N2O4S,,,,,,XAWKEKKJKHHMHE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.415,255-475-9,41642-95-9,"Sodium 2-amino-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulphonate","sodium 2-amino-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonate",[Na+].Nc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1S(=O)(=O)[O-],[Na+].Nc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1S(=O)(=O)[O-],"InChI=1/C9H7Cl2N5O3S.Na/c10-7-14-8(11)16-9(15-7)13-4-1-2-6(5(12)3-4)20(17,18)19;/h1-3H,12H2,(H,17,18,19)(H,13,14,15,16);/q;+1/p-1",C9H7Cl2N5O3S.Na,,,,,,HULKAUGXHGFZSY-UHFFFAOYSA-M,,,,,,,,,,,
100.050.416,255-476-4,41653-95-6,(Z)-hept-4-enoic acid,hept-4-enoic acid,CC\\C=C/CCC(=O)O,CC\C=C/CCC(=O)O,"InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)",C7H12O2,,,,,,KFXPOIKSDYRVKS-ARJAWSKDSA-N,,,,,,,,,,,
100.050.428,255-490-0,41672-81-5,trans-1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-L-proline,1-palmitoyl-4-(palmitoyloxy)-L-proline,CCCCCCCCCCCCCCCC(=O)OC1C[C@H](N(C1)C(=O)CCCCCCCCCCCCCCC)C(=O)O,CCCCCCCCCCCCCCCC(=O)OC1C[C@H](N(C1)C(=O)CCCCCCCCCCCCCCC)C(=O)O,"InChI=1/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)",C37H69NO5,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7527,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.428,QZLXCFQVOCEKSX-DNKZHYAASA-N,,,,,,,,,,,
100.050.435,255-497-9,41682-84-2,"3-hydroxy-2,2-dimethyl-2'-phenylpropionohydrazide","3-hydroxy-2,2-dimethyl-N'-phenylpropanehydrazide",CC(C)(CO)C(=O)NNc1ccccc1,CC(C)(CO)C(=O)NNc1ccccc1,"InChI=1/C11H16N2O2/c1-11(2,8-14)10(15)13-12-9-6-4-3-5-7-9/h3-7,12,14H,8H2,1-2H3,(H,13,15)",C11H16N2O2,,,,,,PBUJQJNJRMZUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.453,255-518-1,41725-90-0,Methyl 2-methyl-2-butenoate,methyl 2-methylbut-2-enoate,CC(=CC)C(=O)OC,CC(=CC)C(=O)OC,"InChI=1/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3",C6H10O2,,,,,,YYJWBYNQJLBIGS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.512,258-883-5,53950-33-7,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)amino]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(NCCC#N)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(NCCC#N)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H16BrN7O6/c1-10(27)22-13-8-15(21-5-3-4-20)17(32-2)9-14(13)23-24-18-12(19)6-11(25(28)29)7-16(18)26(30)31/h6-9,21H,3,5H2,1-2H3,(H,22,27)",C18H16BrN7O6,,,,,,UUELCUSRXBMTAG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.521,258-892-4,53970-35-7,"1,4-bis(bromomethoxy)butane","1,4-bis(bromomethoxy)butane",BrCOCCCCOCBr,BrCOCCCCOCBr,InChI=1/C6H12Br2O2/c7-5-9-3-1-2-4-10-6-8/h1-6H2,C6H12Br2O2,,,,,,LHTXHHKJVUNIOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.522,258-894-5,53971-11-2,DL-1-acetyl-5-oxoproline,1-acetyl-5-oxo-L-proline,CC(=O)N1[C@@H](CCC1=O)C(=O)O,CC(=O)N1[C@@H](CCC1=O)C(=O)O,"InChI=1/C7H9NO4/c1-4(9)8-5(7(11)12)2-3-6(8)10/h5H,2-3H2,1H3,(H,11,12)",C7H9NO4,,,,,,AYNBBSMJRSAAHP-YFKPBYRVSA-N,,,,,,,,,,,
100.053.525,258-897-1,53980-88-4,5(or 6)-carboxy-4-hexylcyclohex-2-ene-1-octanoic acid,5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid,CCCCCCC1C=CC(CCCCCCCC(=O)O)CC1C(=O)O,CCCCCCC1C=CC(CCCCCCCC(=O)O)CC1C(=O)O,"InChI=1/C21H36O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)",C21H36O4,,,,,,RYKIXDBAIYMFDV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.529,258-901-1,53988-05-9,Calcium isononanoate,calcium bis(7-methyloctanoate),CC(C)CCCCCC(=O)O[Ca]OC(=O)CCCCCC(C)C,CC(C)CCCCCC(=O)O[Ca]OC(=O)CCCCCC(C)C,"InChI=1/2C9H18O2.Ca/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Ca,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13672,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.529,KTYKLJLZEBJWRK-UHFFFAOYSA-L,,,,,,,,,,,
100.053.535,258-907-4,53994-69-7,(6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)Cl,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)Cl,"InChI=1/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)",C7H7ClN2O3S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6993,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.535,OQSAFIZCBAZPMY-DZSWIPIPSA-N,,,,,,,,,,,
100.053.536,258-909-5,53994-73-3,Cefaclor,7-{[amino(phenyl)acetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate,O.O=C3N1/C(=C(/Cl)CS[C@@H]1[C@@H]3NC(=O)[C@H](N)c2ccccc2)C(O)=O,O.O=C3N1/C(=C(/Cl)CS[C@@H]1[C@@H]3NC(=O)[C@H](N)c2ccccc2)C(O)=O,"InChI=1/C15H14ClN3O4S.H2O/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7;/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23);1H2",C15H14ClN3O4S,,,,,,WKJGTOYAEQDNIA-IOOZKYRYSA-N,,,,,,,,,,,
100.053.542,258-915-8,54004-46-5,"Tetrahydro-2,5-dimethyl-2H-pyranmethanol","(2,5-dimethyltetrahydro-2H-pyran-2-yl)methanol",CC1CCC(C)(CO)OC1,CC1CCC(C)(CO)OC1,"InChI=1/C8H16O2/c1-7-3-4-8(2,6-9)10-5-7/h7,9H,3-6H2,1-2H3",C8H16O2,,,,,,BJQJGDGEKXRYBA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.006,256-125-8,43165-51-1,Sodium phenylglyoxylate,sodium oxo(phenyl)acetate,[Na+].[O-]C(=O)C(=O)c1ccccc1,[Na+].[O-]C(=O)C(=O)c1ccccc1,"InChI=1/C8H6O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);/q;+1/p-1",C8H6O3.Na,,,,,,GGDFZLZSWSCHFU-UHFFFAOYSA-M,,,,,,,,,,,
100.051.007,256-126-3,43168-33-8,Magnesium didocosanoate,magnesium didocosanoate,[Mg+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C22H44O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2",C22H44O2.1/2Mg,,,,,,OBQVOBQZMOXRAL-UHFFFAOYSA-L,,,,,,,,,,,
100.051.009,256-128-4,43177-42-0,"Sodium 1,2,4-triazole",-,[Na+].c1nnc[nH]1,[Na+].c1nnc[nH]1,"InChI=1/C2H3N3.Na/c1-3-2-5-4-1;/h1-2H,(H,3,4,5);/q;+1",C2H2N3.Na,,,,,,MBVVXVNMSAWHDD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.010,256-130-5,43182-10-1,2-amino-1-(phenylmethyl)-1H-benzimidazole,1-benzyl-1H-benzimidazol-2-amine,Nc1nc2ccccc2n1Cc3ccccc3,Nc1nc2ccccc2n1Cc3ccccc3,"InChI=1/C14H13N3/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)",C14H13N3,,,,,,LXIDSOCBAAMGJX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.013,256-133-1,43189-32-8,Methyl DL-methionate,methyl L-methioninate,COC(=O)[C@@H](N)CCSC,COC(=O)[C@@H](N)CCSC,"InChI=1/C6H13NO2S/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3",C6H13NO2S,,,,,,UIHPNZDZCOEZEN-YFKPBYRVSA-N,,,,,,,,,,,
100.051.022,256-143-6,43208-90-8,Hydrogen 5-phenyl-2-[2-[[5-phenyl-3-[3-(sulphonatooxy)propyl]-3H-benzoxazol-2-ylidene]methyl]but-2-enyl]-3-[3-(sulphonatooxy)propyl]benzoxazolium,"hydrogen 3-{5-phenyl-2-[2-({5-phenyl-3-[3-(sulfonatooxy)propyl]-1,3-benzoxazol-3-ium-2-yl}methyl)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propyl sulfate",[H+].[O-]S(=O)(=O)OCCC[n+]4c5cc(ccc5oc4CC(=CC)C=C2Oc1ccc(cc1N2CCCOS([O-])(=O)=O)c3ccccc3)c6ccccc6,[H+].[O-]S(=O)(=O)OCCC[n+]4c5cc(ccc5oc4CC(=CC)C=C2Oc1ccc(cc1N2CCCOS([O-])(=O)=O)c3ccccc3)c6ccccc6,"InChI=1/C37H36N2O10S2.H2/c1-2-27(23-36-38(19-9-21-46-50(40,41)42)32-25-30(15-17-34(32)48-36)28-11-5-3-6-12-28)24-37-39(20-10-22-47-51(43,44)45)33-26-31(16-18-35(33)49-37)29-13-7-4-8-14-29;/h2-8,11-18,23,25-26H,9-10,19-22,24H2,1H3,(H-,40,41,42,43,44,45);1H/q;+1/p-1",C37H36N2O10S2,,,,,,WQYPOBUNZCXDKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.149,259-584-2,55303-96-3,"Dodeca-4,8-dienedial","dodeca-4,8-dienedial",O=CCCC=CCCC=CCCC=O,O=CCCC=CCCC=CCCC=O,"InChI=1/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h3-6,11-12H,1-2,7-10H2",C12H18O2,,,,,,CIGZZLYQLQLUQO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.162,259-598-9,55339-21-4,N-(diphosphonomethyl)glycine,N-(diphosphonomethyl)glycine,OP(O)(=O)C(NCC(O)=O)P(O)(O)=O,OP(O)(=O)C(NCC(O)=O)P(O)(O)=O,"InChI=1/C3H9NO8P2/c5-2(6)1-4-3(13(7,8)9)14(10,11)12/h3-4H,1H2,(H,5,6)(H2,7,8,9)(H2,10,11,12)",C3H9NO8P2,,,,,,PUOUFDPPEXJKCL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.166,259-602-9,55345-44-3,"1,5-bis[(4-phenoxyphenyl)amino]anthraquinone","1,5-bis[(4-phenoxyphenyl)amino]-9,10-anthraquinone",O=C1c2cccc(Nc3ccc(Oc4ccccc4)cc3)c2C(=O)c5cccc(Nc6ccc(Oc7ccccc7)cc6)c15,O=C1c2cccc(Nc3ccc(Oc4ccccc4)cc3)c2C(=O)c5cccc(Nc6ccc(Oc7ccccc7)cc6)c15,"InChI=1/C38H26N2O4/c41-37-32-14-8-16-34(40-26-19-23-30(24-20-26)44-28-11-5-2-6-12-28)36(32)38(42)31-13-7-15-33(35(31)37)39-25-17-21-29(22-18-25)43-27-9-3-1-4-10-27/h1-24,39-40H",C38H26N2O4,,,,,,QFYZUUMEXXFCKY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.170,259-607-6,55348-88-4,"Dodeca-4,8-diene-1,12-diamine","dodeca-4,8-diene-1,12-diamine",NCCCC=CCCC=CCCCN,NCCCC=CCCC=CCCCN,"InChI=1/C12H24N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h3-6H,1-2,7-14H2",C12H24N2,,,,,,OUGLNWBGUSNCLT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.674,259-060-3,54280-90-9,1-hydroxy-2-(isopropyl)-5-methylcyclohexylethanol,1-(1-hydroxyethyl)-2-isopropyl-5-methylcyclohexanol,CC(C)C1CCC(C)CC1(O)C(C)O,CC(C)C1CCC(C)CC1(O)C(C)O,"InChI=1/C12H24O2/c1-8(2)11-6-5-9(3)7-12(11,14)10(4)13/h8-11,13-14H,5-7H2,1-4H3",C12H24O2,,,,,,SKXNLIAXWBQJGL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.676,259-062-4,54286-89-4,"1,1,6,6-tetramethoxyhexane","1,1,6,6-tetramethoxyhexane",COC(CCCCC(OC)OC)OC,COC(CCCCC(OC)OC)OC,"InChI=1/C10H22O4/c1-11-9(12-2)7-5-6-8-10(13-3)14-4/h9-10H,5-8H2,1-4H3",C10H22O4,,,,,,RLIGZIPVXNQITD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.689,259-077-6,54300-09-3,"1-(3,6-dimethylpyrazinyl)ethan-1-one","1-(3,6-dimethylpyrazin-2-yl)ethanone",CC(=O)c1nc(C)cnc1C,CC(=O)c1nc(C)cnc1C,"InChI=1/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3",C8H10N2O,,,,,,JFUVDGXTDCVGHA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.690,259-078-1,54300-24-2,2-hydroxyethylammonium acetate,2-hydroxyethanaminium acetate,CC(=O)[O-].[NH3+]CCO,CC(=O)[O-].[NH3+]CCO,"InChI=1/C2H7NO.C2H4O2/c3-1-2-4;1-2(3)4/h4H,1-3H2;1H3,(H,3,4)",C2H7NO.C2H4O2,,,,,,VVLAIYIMMFWRFW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.691,259-079-7,54300-32-2,Bis(4-fluorophenyl)phenylphosphine oxide,bis(4-fluorophenyl)(phenyl)phosphine oxide,Fc1ccc(cc1)P(=O)(c2ccccc2)c3ccc(F)cc3,Fc1ccc(cc1)P(=O)(c2ccccc2)c3ccc(F)cc3,"InChI=1/C18H13F2OP/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H",C18H13F2OP,,,,,,AAYLOGMTTMROGA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.465,258-831-1,53874-66-1,1-(chloromethyl)-3-phenoxybenzene,1-(chloromethyl)-3-phenoxybenzene,ClCc1cccc(Oc2ccccc2)c1,ClCc1cccc(Oc2ccccc2)c1,"InChI=1/C13H11ClO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2",C13H11ClO,,,,,,QUYVTGFWFHQVRO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.468,258-834-8,53880-51-6,"(8E,10E)-dodeca-8,10-dienyl acetate","dodeca-8,10-dien-1-yl acetate",C\\C=C\\C=C\\CCCCCCCOC(=O)C,C\C=C\C=C\CCCCCCCOC(=O)C,"InChI=1/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-6H,7-13H2,1-2H3",C14H24O2,,,,,,NTKDSWPSEFZZOZ-VNKDHWASSA-N,,,,,,,,,,,
100.053.474,258-841-6,53890-13-4,3-[(2-ethylhexyl)oxy]-2-hydroxypropyl palmitate,3-[(2-ethylhexyl)oxy]-2-hydroxypropyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(O)COCC(CC)CCCC,CCCCCCCCCCCCCCCC(=O)OCC(O)COCC(CC)CCCC,"InChI=1/C27H54O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-27(29)31-24-26(28)23-30-22-25(6-3)20-8-5-2/h25-26,28H,4-24H2,1-3H3",C27H54O4,,,,,,FYFBAZOROQDDTN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.873,253-779-6,38102-63-5,"3-[(4-methoxyphenyl)methylene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","3-(4-methoxybenzylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC3(C)C2CCC3(C)C(=O)C2=Cc1ccc(OC)cc1,CC3(C)C2CCC3(C)C(=O)C2=Cc1ccc(OC)cc1,"InChI=1/C18H22O2/c1-17(2)15-9-10-18(17,3)16(19)14(15)11-12-5-7-13(20-4)8-6-12/h5-8,11,15H,9-10H2,1-4H3",C18H22O2,,,,,,NUXVNHVEMUEEND-UHFFFAOYSA-N,,,,,,,,,,,
100.048.874,253-780-1,38103-05-8,"4,4'-[(1-methylethylidene)bis(1,4-phenyleneoxy)]bisphthalic acid","4,4'-[propane-2,2-diylbis(4,1-phenyleneoxy)]diphthalic acid",CC(C)(c1ccc(Oc2ccc(C(=O)O)c(c2)C(=O)O)cc1)c3ccc(Oc4ccc(C(=O)O)c(c4)C(=O)O)cc3,CC(C)(c1ccc(Oc2ccc(C(=O)O)c(c2)C(=O)O)cc1)c3ccc(Oc4ccc(C(=O)O)c(c4)C(=O)O)cc3,"InChI=1/C31H24O10/c1-31(2,17-3-7-19(8-4-17)40-21-11-13-23(27(32)33)25(15-21)29(36)37)18-5-9-20(10-6-18)41-22-12-14-24(28(34)35)26(16-22)30(38)39/h3-16H,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)",C31H24O10,,,,,,KJLPSBMDOIVXSN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.380,255-437-1,41556-26-7,"Bis(1,2,2,6,6-pentamethyl-4-piperidyl) sebacate","bis(1,2,2,6,6-pentamethylpiperidin-4-yl) sebacate",CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2,CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2,"InChI=1/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3",C30H56N2O4,,,,,,RSOILICUEWXSLA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.389,255-447-6,41576-36-7,"2,5-bis[(methylphenyl)amino]terephthalic acid","2,5-bis[(2-methylphenyl)amino]terephthalic acid",Cc1ccccc1Nc2cc(C(=O)O)c(Nc3ccccc3C)cc2C(=O)O,Cc1ccccc1Nc2cc(C(=O)O)c(Nc3ccccc3C)cc2C(=O)O,"InChI=1/C22H20N2O4/c1-13-7-3-5-9-17(13)23-19-11-16(22(27)28)20(12-15(19)21(25)26)24-18-10-6-4-8-14(18)2/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)",C22H20N2O4,,,,,,XJNWPYYRBAQKNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.393,255-451-8,41591-87-1,Dimethyltetradecyl[3-(trimethoxysilyl)propyl]ammonium chloride,"N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]tetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC,"InChI=1/C22H50NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-23(2,3)21-19-22-27(24-4,25-5)26-6;/h7-22H2,1-6H3;1H/q+1;/p-1",C22H50NO3Si.Cl,,,,,,PHDAZHGCTGTQAS-UHFFFAOYSA-M,,,,,,,,,,,
100.050.394,255-452-3,41594-90-5,"5-oxo-DL-proline, compound with ethyl N2-myristoyl-L-argininate (1:1)",5-oxo-L-proline - ethyl N~2~-tetradecanoyl-L-argininate (1:1),CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C22H44N4O3.C5H7NO3/c1-3-5-6-7-8-9-10-11-12-13-14-17-20(27)26-19(21(28)29-4-2)16-15-18-25-22(23)24;7-4-2-1-3(6-4)5(8)9/h19H,3-18H2,1-2H3,(H,26,27)(H4,23,24,25);3H,1-2H2,(H,6,7)(H,8,9)",C22H44N4O3.C5H7NO3,,,,,,PZYZNWYVBGZODW-QFHLMETQSA-N,,,,,,,,,,,
100.050.398,255-457-0,41608-75-7,"4-amino-3-hydroxy-N,N-dimethylbenzenesulphonamide","4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(N)c(O)c1,CN(C)S(=O)(=O)c1ccc(N)c(O)c1,"InChI=1/C8H12N2O3S/c1-10(2)14(12,13)6-3-4-7(9)8(11)5-6/h3-5,11H,9H2,1-2H3",C8H12N2O3S,,,,,,KYGLTUZWWALEFP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.401,255-460-7,41611-76-1,"1,4-bis[(2-ethyl-6-methylphenyl)amino]anthraquinone","1,4-bis[(2-ethyl-6-methylphenyl)amino]-9,10-anthraquinone",CCc1cccc(C)c1Nc2ccc(Nc3c(C)cccc3CC)c4C(=O)c5ccccc5C(=O)c24,CCc1cccc(C)c1Nc2ccc(Nc3c(C)cccc3CC)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C32H30N2O2/c1-5-21-13-9-11-19(3)29(21)33-25-17-18-26(34-30-20(4)12-10-14-22(30)6-2)28-27(25)31(35)23-15-7-8-16-24(23)32(28)36/h7-18,33-34H,5-6H2,1-4H3",C32H30N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10374,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.401,NPJJGMRERPXCSE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.404,255-463-3,41614-16-8,4-chloro-3-nitrobenzanilide,4-chloro-3-nitro-N-phenylbenzamide,[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc2ccccc2,[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc2ccccc2,"InChI=1/C13H9ClN2O3/c14-11-7-6-9(8-12(11)16(18)19)13(17)15-10-4-2-1-3-5-10/h1-8H,(H,15,17)",C13H9ClN2O3,,,,,,MPSDMWLZVDJFGW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.405,255-464-9,41621-49-2,"6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one, compound with 2-aminoethanol (1:1)",6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one - 2-aminoethanol (1:1),CC1=CC(=O)N(O)C(=C1)C2CCCCC2.NCCO,CC1=CC(=O)N(O)C(=C1)C2CCCCC2.NCCO,"InChI=1/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2",C12H17NO2.C2H7NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18627,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.405,MBRHNTMUYWQHMR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.725,265-717-5,65366-87-2,"Bis[9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium] tetraoxomolybdate(2-)","bis{9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium} tetraoxomolibdate(2-)",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCNc5cc6[o+]c7cc(NCC)c(C)cc7c(c8ccccc8C(=O)OCC)c6cc5C.O=[Mo-2](=O)(=O)=O,CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCNc5cc6[o+]c7cc(NCC)c(C)cc7c(c8ccccc8C(=O)OCC)c6cc5C.O=[Mo-2](=O)(=O)=O,"InChI=1/2C28H31N2O3.Mo.4O/c2*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;;;;;/h2*9-16,29-30H,6-8H2,1-5H3;;;;;/q2*+1;-2;;;;/r2C28H31N2O3.MoO4/c2*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h2*9-16,29-30H,6-8H2,1-5H3;/q2*+1;-2",C28H31N2O3.1/2MoO4,,,,,,CQSLIXJDDDZCDR-UHFFFAOYSA-N,,,,,,,,,,,
100.059.727,265-719-6,65369-95-1,N-[3-[(2-hydroxyethyl)sulphonyl]phenyl]-4-nitrobenzamide,N-{3-[(2-hydroxyethyl)sulfonyl]phenyl}-4-nitrobenzamide,OCCS(=O)(=O)c1cccc(NC(=O)c2ccc(cc2)[N+](=O)[O-])c1,OCCS(=O)(=O)c1cccc(NC(=O)c2ccc(cc2)[N+](=O)[O-])c1,"InChI=1/C15H14N2O6S/c18-8-9-24(22,23)14-3-1-2-12(10-14)16-15(19)11-4-6-13(7-5-11)17(20)21/h1-7,10,18H,8-9H2,(H,16,19)",C15H14N2O6S,,,,,,QJFXNNDXHRPNFO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.876,261-483-3,58883-50-4,Allyl pentafluoropropionate,allyl pentafluoropropanoate,FC(F)(F)C(F)(F)C(=O)OCC=C,FC(F)(F)C(F)(F)C(=O)OCC=C,"InChI=1/C6H5F5O2/c1-2-3-13-4(12)5(7,8)6(9,10)11/h2H,1,3H2",C6H5F5O2,,,,,,AMEPFZHWBYLCRO-UHFFFAOYSA-N,,,,,,,,,,,
100.055.881,261-489-6,58905-32-1,"3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one","3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one",CC(C)(C)C(=O)Cn1cncn1,CC(C)(C)C(=O)Cn1cncn1,"InChI=1/C8H13N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-6H,4H2,1-3H3",C8H13N3O,,,,,,FMWWRALTYIWZEB-UHFFFAOYSA-N,,,,,,,,,,,
100.055.886,261-494-3,58911-05-0,"Methyl 1,4-dimethylcyclohex-3-ene-1-carboxylate","methyl 1,4-dimethylcyclohex-3-ene-1-carboxylate",COC(=O)C1(C)CCC(=CC1)C,COC(=O)C1(C)CCC(=CC1)C,"InChI=1/C10H16O2/c1-8-4-6-10(2,7-5-8)9(11)12-3/h4H,5-7H2,1-3H3",C10H16O2,,,,,,PAXHLOIQWUFMQI-UHFFFAOYSA-N,,,,,,,,,,,
100.055.888,261-496-4,58920-31-3,4-[[(heptadecafluorooctyl)sulphonyl]methylamino]butyl acrylate,4-{[(heptadecafluorooctyl)sulfonyl](methyl)amino}butyl acrylate,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H14F17NO4S/c1-3-8(35)38-7-5-4-6-34(2)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h3H,1,4-7H2,2H3",C16H14F17NO4S,,,,,,XEVYGIAXCSAAOA-UHFFFAOYSA-N,,,,,,,,,,,
100.055.892,261-502-5,58930-32-8,2'-[3-(tert-butylamino)-2-hydroxypropoxy]-5'-fluorobutyrophenone,1-{2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl}butan-1-one,CCCC(=O)c1cc(F)ccc1OCC(O)CNC(C)(C)C,CCCC(=O)c1cc(F)ccc1OCC(O)CNC(C)(C)C,"InChI=1/C17H26FNO3/c1-5-6-15(21)14-9-12(18)7-8-16(14)22-11-13(20)10-19-17(2,3)4/h7-9,13,19-20H,5-6,10-11H2,1-4H3",C17H26FNO3,,,,,,NMBNQRJDEPOXCP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.896,261-506-7,58935-87-8,N-(2-ethylhexyl)-1-(phenylazo)naphthalen-2-amine,N-(2-ethylhexyl)-1-(phenyldiazenyl)naphthalen-2-amine,CCC(CCCC)CNc3ccc1ccccc1c3N=Nc2ccccc2,CCC(CCCC)CNc3ccc1ccccc1c3N=Nc2ccccc2,"InChI=1/C24H29N3/c1-3-5-11-19(4-2)18-25-23-17-16-20-12-9-10-15-22(20)24(23)27-26-21-13-7-6-8-14-21/h6-10,12-17,19,25H,3-5,11,18H2,1-2H3",C24H29N3,,,,,,MQMJIQSDNNCBRS-UHFFFAOYSA-N,,,,,,,,,,,
100.055.897,261-507-2,58936-28-0,3-(2-methylpropoxy)propiononitrile,3-isobutoxypropanenitrile,CC(C)COCCC#N,CC(C)COCCC#N,"InChI=1/C7H13NO/c1-7(2)6-9-5-3-4-8/h7H,3,5-6H2,1-2H3",C7H13NO,,,,,,PHLODXGIZNXWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.055.899,261-509-3,58943-75-2,3-(pentadecyloxy)propylamine,3-(pentadecyloxy)propan-1-amine,CCCCCCCCCCCCCCCOCCCN,CCCCCCCCCCCCCCCOCCCN,"InChI=1/C18H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19/h2-19H2,1H3",C18H39NO,,,,,,FELNCSXBNJPZGU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.901,261-511-4,58946-33-1,Sodium a-oxofuran-2-acetate,sodium 2-furyl(oxo)acetate,[Na+].[O-]C(=O)C(=O)c1occc1,[Na+].[O-]C(=O)C(=O)c1occc1,"InChI=1/C6H4O4.Na/c7-5(6(8)9)4-2-1-3-10-4;/h1-3H,(H,8,9);/q;+1/p-1",C6H4O4.Na,,,,,,CWVQEFSEJJBCLC-UHFFFAOYSA-M,,,,,,,,,,,
100.055.906,261-517-7,58949-91-0,(±)-5-octylfuran-2(5H)-one,5-octylfuran-2(5H)-one,CCCCCCCCC1OC(=O)C=C1,CCCCCCCCC1OC(=O)C=C1,"InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3",C12H20O2,,,,,,BWXCHUAWFSHXMU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.417,262-078-4,60143-59-1,"4-(2-chlorophenylazo)-2,5-dimethoxyaniline","4-[(2-chlorophenyl)diazenyl]-2,5-dimethoxyaniline",Clc2ccccc2N=Nc1cc(OC)c(N)cc1OC,Clc2ccccc2N=Nc1cc(OC)c(N)cc1OC,"InChI=1/C14H14ClN3O2/c1-19-13-8-12(14(20-2)7-10(13)16)18-17-11-6-4-3-5-9(11)15/h3-8H,16H2,1-2H3",C14H14ClN3O2,,,,,,WYFCDGYRAULRHY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.421,262-083-1,60154-03-2,"Potassium 4-hydroxy-3,5-diiodobenzenesulphonate","potassium 4-hydroxy-3,5-diiodobenzenesulfonate",[K+].Oc1c(I)cc(cc1I)S(=O)(=O)[O-],[K+].Oc1c(I)cc(cc1I)S(=O)(=O)[O-],"InChI=1/C6H4I2O4S.K/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h1-2,9H,(H,10,11,12);/q;+1/p-1",C6H4I2O4S.K,,,,,,BOMDMNVYZUZEFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.053.546,258-920-5,54009-79-9,"[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane","2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C20H5F35O/c21-4(22,1-3-2-56-3)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)16(44,45)18(48,49)17(46,47)15(42,43)13(38,39)11(34,35)9(30,31)7(26,27)5(23,19(50,51)52)20(53,54)55/h3H,1-2H2",C20H5F35O,,,,,,OKXFOOHGEWKLIY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.547,258-921-0,54010-71-8,"D-Glucose, 6-(dihydrogen phosphate), monosodium salt",sodium 6-O-(hydroxyphosphinato)hexopyranose,OC1OC(COP(=O)(O)O[Na])C(O)C(O)C1O,OC1OC(COP(=O)(O)O[Na])C(O)C(O)C1O,"InChI=1/C6H13O9P.Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+1/p-1/rC6H12NaO9P/c7-16-17(12,13)14-1-2-3(8)4(9)5(10)6(11)15-2/h2-6,8-11H,1H2,(H,12,13)",C6H13O9P.Na,,,,,,ZALKNDISPIVVKC-UHFFFAOYSA-M,,,,,,,,,,,
100.053.551,258-925-2,54016-70-5,3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide,"3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium bromide",[Br-].CC[n+]1csc(CCO)c1C,[Br-].CC[n+]1csc(CCO)c1C,"InChI=1/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1",C8H14NOS.Br,,,,,,BDQRQMLWZJQQKS-UHFFFAOYSA-M,,,,,,,,,,,
100.053.552,258-926-8,54022-77-4,(4-butoxyphenoxy)acetyl chloride,(4-butoxyphenoxy)acetyl chloride,CCCCOc1ccc(OCC(=O)Cl)cc1,CCCCOc1ccc(OCC(=O)Cl)cc1,"InChI=1/C12H15ClO3/c1-2-3-8-15-10-4-6-11(7-5-10)16-9-12(13)14/h4-7H,2-3,8-9H2,1H3",C12H15ClO3,,,,,,VUHUVRUYCQVHDT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.680,256-867-2,50966-74-0,2-(1H-pyrrol-1-yl)pyridine,2-(1H-pyrrol-1-yl)pyridine,c1ccc(nc1)n2cccc2,c1ccc(nc1)n2cccc2,InChI=1/C9H8N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-8H,C9H8N2,,,,,,AWOGYKQLZGNICG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.685,256-873-5,50975-76-3,[2-[(chloromethyl)phenyl]ethyl]trimethoxysilane,{2-[2-(chloromethyl)phenyl]ethyl}(trimethoxy)silane,CO[Si](CCc1ccccc1CCl)(OC)OC,CO[Si](CCc1ccccc1CCl)(OC)OC,"InChI=1/C12H19ClO3Si/c1-14-17(15-2,16-3)9-8-11-6-4-5-7-12(11)10-13/h4-7H,8-10H2,1-3H3",C12H19ClO3Si,,,,,,UFTVYYXWUBLQLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.689,256-877-7,50976-28-8,"Sodium 2,3-dihydroxypropionate","sodium 2,3-dihydroxypropanoate",[Na+].OCC(O)C(=O)[O-],[Na+].OCC(O)C(=O)[O-],"InChI=1/C3H6O4.Na/c4-1-2(5)3(6)7;/h2,4-5H,1H2,(H,6,7);/q;+1/p-1",C3H6O4.Na,,,,,,IUEMQUIQAPPJDL-UHFFFAOYSA-M,,,,,,,,,,,
100.051.690,256-878-2,50976-31-3,Sodium itaconate,disodium 2-methylenesuccinate,[Na+].[Na+].[O-]C(=O)CC(=C)C(=O)[O-],[Na+].[Na+].[O-]C(=O)CC(=C)C(=O)[O-],"InChI=1/C5H6O4.2Na/c1-3(5(8)9)2-4(6)7;;/h1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C5H6O4.xNa,,,,,,IZZSMHVWMGGQGU-UHFFFAOYSA-L,,,,,,,,,,,
100.051.692,256-880-3,50977-09-8,3-(isooctyloxy)propylamine,3-[(6-methylheptyl)oxy]propan-1-amine,CC(C)CCCCCOCCCN,CC(C)CCCCCOCCCN,"InChI=1/C11H25NO/c1-11(2)7-4-3-5-9-13-10-6-8-12/h11H,3-10,12H2,1-2H3",C11H25NO,,,,,,WNESQTLZVOTCIL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.696,256-885-0,50978-80-8,"5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulpho-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1,3,6-trisulphonic acid","5-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}naphthalene-1,3,6-trisulfonic acid",Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc1c2cc(cc(c2ccc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c3ccccc34)c5cc(ccc56)S(O)(=O)=O)nc(Cl)n7,Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc1c2cc(cc(c2ccc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c3ccccc34)c5cc(ccc56)S(O)(=O)=O)nc(Cl)n7,"InChI=1/C33H22ClN9O12S4/c34-31-37-32(35)39-33(38-31)36-24-8-9-27(22-13-16(56(44,45)46)5-6-20(22)24)41-40-25-10-11-26(19-4-2-1-3-18(19)25)42-43-30-23-14-17(57(47,48)49)15-29(59(53,54)55)21(23)7-12-28(30)58(50,51)52/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39)",C33H22ClN9O12S4,,,,,,LWQGDVCHDQAPLU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.703,256-892-9,50984-75-3,"2,2'-[sulphonylbis(phenyleneoxymethylene)]dioxirane","2,2'-[sulfonylbis(2,1-phenyleneoxymethylene)]dioxirane",O=S(=O)(c1ccccc1OCC2CO2)c3ccccc3OCC4CO4,O=S(=O)(c1ccccc1OCC2CO2)c3ccccc3OCC4CO4,"InChI=1/C18H18O6S/c19-25(20,17-7-3-1-5-15(17)23-11-13-9-21-13)18-8-4-2-6-16(18)24-12-14-10-22-14/h1-8,13-14H,9-12H2",C18H18O6S,,,,,,LAKSJLHARNUPKV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.705,256-895-5,50985-55-2,"2,2'-[(octahydro-4,7-methano-1H-indenediyl)bis(methyleneoxymethylene)]dioxirane","2,2'-[octahydro-1H-4,7-methanoindene-1,1-diylbis(methyleneoxymethylene)]dioxirane",C(OCC1(COCC2CO2)CCC3C4CCC(C4)C13)C5CO5,C(OCC1(COCC2CO2)CCC3C4CCC(C4)C13)C5CO5,"InChI=1/C18H28O4/c1-2-13-5-12(1)16-3-4-18(17(13)16,10-19-6-14-8-21-14)11-20-7-15-9-22-15/h12-17H,1-11H2",C18H28O4,,,,,,NAKUEGXKNSDYGY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.698,259-087-0,54306-01-3,"1,1-diethoxyoct-2-ene","1,1-diethoxyoct-2-ene",CCOC(C=CCCCCC)OCC,CCOC(C=CCCCCC)OCC,"InChI=1/C12H24O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h10-12H,4-9H2,1-3H3",C12H24O2,,,,,,VTQPINQQQFJLGG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.704,259-093-3,54322-29-1,2-ethylnonan-1-ol,2-ethylnonan-1-ol,CCCCCCCC(CC)CO,CCCCCCCC(CC)CO,"InChI=1/C11H24O/c1-3-5-6-7-8-9-11(4-2)10-12/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,GGJSWHVQHRPELC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.705,259-094-9,54322-31-5,p-(2-bromoethyl)benzenesulphonic acid,4-(2-bromoethyl)benzenesulfonic acid,OS(=O)(=O)c1ccc(CCBr)cc1,OS(=O)(=O)c1ccc(CCBr)cc1,"InChI=1/C8H9BrO3S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6H2,(H,10,11,12)",C8H9BrO3S,,,,,,XRPCDXSRXPQUKT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.714,259-105-7,54326-11-3,"(benzoato-O,O')hydroxy(octadecanoato-O,O')aluminium",aluminum hydroxide benzoate stearate,CCCCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)c1ccccc1,CCCCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)c1ccccc1,"InChI=1/C18H36O2.C7H6O2.Al.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(9)6-4-2-1-3-5-6;;/h2-17H2,1H3,(H,19,20);1-5H,(H,8,9);;1H2/q;;+3;/p-3/rC25H41AlO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(27)30-26(29)31-25(28)23-20-17-16-18-21-23/h16-18,20-21,29H,2-15,19,22H2,1H3",C25H41AlO5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17882,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.714,PMWKMVGWLYXGLN-UHFFFAOYSA-K,,,,,,,,,,,
100.053.716,259-107-8,54333-75-4,"2-chloro-N,N-diethylpropionamide","2-chloro-N,N-diethylpropanamide",CCN(CC)C(=O)C(C)Cl,CCN(CC)C(=O)C(C)Cl,"InChI=1/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3",C7H14ClNO,,,,,,WORKHWHULFDZDE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.768,254-764-7,40034-50-2,"7-(2,6-dimethyl-4-pyridyl)-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid","7-(2,6-dimethylpyridin-4-yl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2ccc(cc12)c3cc(C)nc(C)c3,CCN1C=C(C(=O)O)C(=O)c2ccc(cc12)c3cc(C)nc(C)c3,"InChI=1/C19H18N2O3/c1-4-21-10-16(19(23)24)18(22)15-6-5-13(9-17(15)21)14-7-11(2)20-12(3)8-14/h5-10H,4H2,1-3H3,(H,23,24)",C19H18N2O3,,,,,,NLQFSXNYFCJEGX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.769,254-765-2,40034-51-3,"3-(2,6-dimethyl-4-pyridyl)aniline","3-(2,6-dimethylpyridin-4-yl)aniline",Cc1cc(cc(C)n1)c2cccc(N)c2,Cc1cc(cc(C)n1)c2cccc(N)c2,"InChI=1/C13H14N2/c1-9-6-12(7-10(2)15-9)11-4-3-5-13(14)8-11/h3-8H,14H2,1-2H3",C13H14N2,,,,,,ADHASKYQWAONSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.771,254-767-3,40034-60-4,"2,6-dimethyl-4-(3-nitrophenyl)pyridine","2,6-dimethyl-4-(3-nitrophenyl)pyridine",Cc1cc(cc(C)n1)c2cccc(c2)[N+](=O)[O-],Cc1cc(cc(C)n1)c2cccc(c2)[N+](=O)[O-],"InChI=1/C13H12N2O2/c1-9-6-12(7-10(2)14-9)11-4-3-5-13(8-11)15(16)17/h3-8H,1-2H3",C13H12N2O2,,,,,,FTWIJYIVFAWSLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.779,254-776-2,40051-30-7,10-(3-chloropropyl)-2-(methylsulphonyl)-10H-phenothiazine,10-(3-chloropropyl)-2-(methylsulfonyl)-10H-phenothiazine,CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCCl)c2c1,CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCCl)c2c1,"InChI=1/C16H16ClNO2S2/c1-22(19,20)12-7-8-16-14(11-12)18(10-4-9-17)13-5-2-3-6-15(13)21-16/h2-3,5-8,11H,4,9-10H2,1H3",C16H16ClNO2S2,,,,,,QQAJFUSAULHWQR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.782,254-779-9,40064-34-4,"4,4-piperidinediol, hydrochloride","piperidine-4,4-diol hydrochloride",Cl.OC1(O)CCNCC1,Cl.OC1(O)CCNCC1,"InChI=1/C5H11NO2.ClH/c7-5(8)1-3-6-4-2-5;/h6-8H,1-4H2;1H",C5H11NO2.ClH,,,,,,BQOLKFJNJCOALF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.784,254-782-5,40074-04-2,"N-cyano-N',N''-bis(hydroxymethyl)guanidine","1-cyano-2,3-bis(hydroxymethyl)guanidine",OCN\\C(=N\\CO)\\NC#N,OCN\C(=N\CO)\NC#N,"InChI=1/C4H8N4O2/c5-1-6-4(7-2-9)8-3-10/h9-10H,2-3H2,(H2,6,7,8)",C4H8N4O2,,,,,,IPGBSGQYXVGOAA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.785,254-783-0,40074-34-8,Bis[2-(acryloyloxy)ethyl] hydrogen phosphate,"4-hydroxy-4-oxido-9-oxo-3,5,8-trioxa-4-phosphaundec-10-en-1-yl acrylate (non-preferred name)",OP(=O)(OCCOC(=O)C=C)OCCOC(=O)C=C,OP(=O)(OCCOC(=O)C=C)OCCOC(=O)C=C,"InChI=1/C10H15O8P/c1-3-9(11)15-5-7-17-19(13,14)18-8-6-16-10(12)4-2/h3-4H,1-2,5-8H2,(H,13,14)",C10H15O8P,,,,,,WAJJFPMYKWCDNI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.788,254-786-7,40082-68-6,[2-(ethylphenylamino)ethyl]trimethylammonium methyl sulphate,"2-[ethyl(phenyl)amino]-N,N,N-trimethylethanaminium methyl sulfate",CCN(CC[N+](C)(C)C)c1ccccc1.COS(=O)(=O)[O-],CCN(CC[N+](C)(C)C)c1ccccc1.COS(=O)(=O)[O-],"InChI=1/C13H23N2.CH4O4S/c1-5-14(11-12-15(2,3)4)13-9-7-6-8-10-13;1-5-6(2,3)4/h6-10H,5,11-12H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C13H23N2.CH3O4S,,,,,,LHZHWDRGRQFKTF-UHFFFAOYSA-M,,,,,,,,,,,
100.049.794,254-793-5,40101-17-5,Bis(3-methoxyphenyl)ethanedione,"1,2-bis(3-methoxyphenyl)ethane-1,2-dione",COc1cccc(c1)C(=O)C(=O)c2cccc(OC)c2,COc1cccc(c1)C(=O)C(=O)c2cccc(OC)c2,"InChI=1/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3",C16H14O4,,,,,,PJGXOGKIVAJFTE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.797,254-796-1,40120-74-9,"Tris(1,3-dichloropropyl) phosphate","tris(1,3-dichloropropyl) phosphate",ClCCC(Cl)OP(=O)(OC(Cl)CCCl)OC(Cl)CCCl,ClCCC(Cl)OP(=O)(OC(Cl)CCCl)OC(Cl)CCCl,"InChI=1/C9H15Cl6O4P/c10-4-1-7(13)17-20(16,18-8(14)2-5-11)19-9(15)3-6-12/h7-9H,1-6H2",C9H15Cl6O4P,,,,,,DHNUXDYAOVSGII-UHFFFAOYSA-N,,,,,,,,,,,
100.050.406,255-465-4,41621-86-7,"4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide","4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one",CCn1c(C)c(c2ccccc12)C3(OC(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c34)c5c(C)n(CC)c6ccccc56,CCn1c(C)c(c2ccccc12)C3(OC(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c34)c5c(C)n(CC)c6ccccc56,"InChI=1/C30H24Cl4N2O2/c1-5-35-15(3)22(17-11-7-9-13-19(17)35)30(23-16(4)36(6-2)20-14-10-8-12-18(20)23)24-21(29(37)38-30)25(31)27(33)28(34)26(24)32/h7-14H,5-6H2,1-4H3",C30H24Cl4N2O2,,,,,,SMKHTHNACHYZIM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.408,255-468-0,41622-39-3,3-(hexadecylthio)propionic acid,3-(hexadecylsulfanyl)propanoic acid,CCCCCCCCCCCCCCCCSCCC(=O)O,CCCCCCCCCCCCCCCCSCCC(=O)O,"InChI=1/C19H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-19(20)21/h2-18H2,1H3,(H,20,21)",C19H38O2S,,,,,,UZRGHARRXDESET-UHFFFAOYSA-N,,,,,,,,,,,
100.050.409,255-469-6,41625-15-4,2-propylhept-2-en-1-ol,2-propylhept-2-en-1-ol,CCCCC=C(CCC)CO,CCCCC=C(CCC)CO,"InChI=1/C10H20O/c1-3-5-6-8-10(9-11)7-4-2/h8,11H,3-7,9H2,1-2H3",C10H20O,,,,,,BUHGPTZACAIKST-UHFFFAOYSA-N,,,,,,,,,,,
100.052.216,257-456-0,51828-94-5,Calcium 3-methyl-2-oxobutyrate (1:2),calcium bis(3-methyl-2-oxobutanoate),[CaH2].CC(C)C(=O)C(=O)[O-].CC(C)C(=O)C(=O)[O-],[CaH2].CC(C)C(=O)C(=O)[O-].CC(C)C(=O)C(=O)[O-],"InChI=1/2C5H8O3.Ca.2H/c2*1-3(2)4(6)5(7)8;;;/h2*3H,1-2H3,(H,7,8);;;/q;;+2;;/p-2/r2C5H8O3.CaH2/c2*1-3(2)4(6)5(7)8;/h2*3H,1-2H3,(H,7,8);1H2/q;;+2/p-2",C5H8O3.1/2Ca,,,,,,BTKIGVWWAUAIOG-UHFFFAOYSA-L,,,,,,,,,,,
100.052.226,257-467-0,51839-25-9,"Carbonic acid, zinc salt, basic",zinc carbonate,[Zn+2].[O-]C(=O)[O-],[Zn+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15270,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.226,FMRLDPWIRHBCCC-UHFFFAOYSA-L,,,,,,,,,,,
100.052.227,257-468-6,51839-50-0,4-[(4-aminophenyl)methyl]-2-ethylaniline,4-(4-aminobenzyl)-2-ethylaniline,CCc1cc(Cc2ccc(N)cc2)ccc1N,CCc1cc(Cc2ccc(N)cc2)ccc1N,"InChI=1/C15H18N2/c1-2-13-10-12(5-8-15(13)17)9-11-3-6-14(16)7-4-11/h3-8,10H,2,9,16-17H2,1H3",C15H18N2,,,,,,HWVIWIDTBYWXGB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.239,257-481-7,51865-66-8,Diethyl N-[4-(methylamino)benzoyl]-D-glutamate,diethyl N-[4-(methylamino)benzoyl]-D-glutamate,CCOC(=O)CC[C@@H](NC(=O)c1ccc(NC)cc1)C(=O)OCC,CCOC(=O)CC[C@@H](NC(=O)c1ccc(NC)cc1)C(=O)OCC,"InChI=1/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)",C17H24N2O5,,,,,,WBYNXAAEBPJETG-CQSZACIVSA-N,,,,,,,,,,,
100.052.240,257-482-2,51865-79-3,"D-(-)-N-(2,4-diamino-6-pteridinyl(dimethylamino)benzoyl)glutamic acid","N-[2-(2,4-diaminopteridin-6-yl)-3-(dimethylamino)benzoyl]-D-glutamic acid",CN(C)c1cccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)c1c2cnc3nc(N)nc(N)c3n2,CN(C)c1cccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)c1c2cnc3nc(N)nc(N)c3n2,"InChI=1/C20H22N8O5/c1-28(2)12-5-3-4-9(18(31)25-10(19(32)33)6-7-13(29)30)14(12)11-8-23-17-15(24-11)16(21)26-20(22)27-17/h3-5,8,10H,6-7H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)",C20H22N8O5,,,,,,JTYSJAIRKDCCLN-SNVBAGLBSA-N,,,,,,,,,,,
100.053.503,258-873-0,53933-60-1,(E)-(±)-5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acid,{5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid,CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc(cc3)S(=O)C,CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc(cc3)S(=O)C,"InChI=1/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)",C20H17FO3S,,,,,,MLKXDPUZXIRXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.507,258-877-2,53939-81-4,Phenethyl 4-oxovalerate,2-phenylethyl 4-oxopentanoate,CC(=O)CCC(=O)OCCc1ccccc1,CC(=O)CCC(=O)OCCc1ccccc1,"InChI=1/C13H16O3/c1-11(14)7-8-13(15)16-10-9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3",C13H16O3,,,,,,FJEDCBJSNFURKI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.625,256-807-5,50855-43-1,Hydroxymethoxybenzenesulphonic acid,2-(hydroxymethoxy)benzenesulfonic acid,OCOc1ccccc1S(=O)(=O)O,OCOc1ccccc1S(=O)(=O)O,"InChI=1/C7H8O5S/c8-5-12-6-3-1-2-4-7(6)13(9,10)11/h1-4,8H,5H2,(H,9,10,11)",C7H8O5S,,,,,,GUAPLPVVNZYPSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.629,256-811-7,50862-12-9,Heptyl 2-methylbutyrate,heptyl 2-methylbutanoate,CCCCCCCOC(=O)C(C)CC,CCCCCCCOC(=O)C(C)CC,"InChI=1/C12H24O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h11H,4-10H2,1-3H3",C12H24O2,,,,,,CSFWIAGTSVOEOD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.639,256-822-7,50876-88-5,"(Z)-1-(2,2-diethoxyethoxy)hex-3-ene","1-(2,2-diethoxyethoxy)hex-3-ene",CCOC(COCC\\C=C/CC)OCC,CCOC(COCC\C=C/CC)OCC,"InChI=1/C12H24O3/c1-4-7-8-9-10-13-11-12(14-5-2)15-6-3/h7-8,12H,4-6,9-11H2,1-3H3",C12H24O3,,,,,,SXFMZKKBIUYSHF-FPLPWBNLSA-N,,,,,,,,,,,
100.051.641,256-824-8,50880-65-4,"Trisodium 3-hydroxy-4-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 3-hydroxy-4-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H12N2O10S3.3Na/c19-16-14(31(26,27)28)8-9-7-12(30(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)29(20,21)22;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",C16H12N2O10S3.3Na,,,,,,GLLLQTBFKJTGJH-UHFFFAOYSA-K,,,,,,,,,,,
100.056.427,262-089-4,60160-17-0,Heptyl decanoate,heptyl decanoate,CCCCCCCCCC(=O)OCCCCCCC,CCCCCCCCCC(=O)OCCCCCCC,"InChI=1/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3",C17H34O2,,,,,,MPLLSYWBBPPERF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.432,262-095-7,60168-88-9,"2,4'-dichloro-a(pyrimidin-5-yl)benzhydryl alcohol",(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol,OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl,OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl,"InChI=1/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H",C17H12Cl2N2O,,,,,,NHOWDZOIZKMVAI-UHFFFAOYSA-N,,,,,,,,,,,
100.056.435,262-098-3,60177-36-8,"Sorbitan, monooctanoate","3,6-anhydro-1-O-octanoylhexitol",CCCCCCCC(=O)OCC(O)C1OCC(O)C1O,CCCCCCCC(=O)OCC(O)C1OCC(O)C1O,"InChI=1/C14H26O6/c1-2-3-4-5-6-7-12(17)19-9-11(16)14-13(18)10(15)8-20-14/h10-11,13-16,18H,2-9H2,1H3",C14H26O6,,,,,,NENOAJSZZPODGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.437,262-100-2,60200-06-8,Clorsulon,"4-amino-6-(trichlorovinyl)benzene-1,3-disulfonamide",Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N,Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N,"InChI=1/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)",C8H8Cl3N3O4S2,,,,,,QOVTVIYTBRHADL-UHFFFAOYSA-N,,,,,,,,,,,
100.056.439,262-102-3,60207-31-0,Azaconazole,"1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole",Clc1ccc(c(Cl)c1)C2(Cn3cncn3)OCCO2,Clc1ccc(c(Cl)c1)C2(Cn3cncn3)OCCO2,"InChI=1/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2",C12H11Cl2N3O2,,,,,,AKNQMEBLVAMSNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.056.443,262-107-0,60207-93-4,"1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole","1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole",CCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,CCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,"InChI=1/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3",C14H15Cl2N3O2,,,,,,DWRKFAJEBUWTQM-UHFFFAOYSA-N,,,,,,,,,,,
100.056.446,262-110-7,60223-95-2,Dinonylnaphthalenedisulphonic acid,"3,4-dinonylnaphthalene-1,2-disulfonic acid",CCCCCCCCCc1c(CCCCCCCCC)c2ccccc2c(c1S(=O)(=O)O)S(=O)(=O)O,CCCCCCCCCc1c(CCCCCCCCC)c2ccccc2c(c1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C28H44O6S2/c1-3-5-7-9-11-13-15-19-23-24-20-17-18-22-26(24)28(36(32,33)34)27(35(29,30)31)25(23)21-16-14-12-10-8-6-4-2/h17-18,20,22H,3-16,19,21H2,1-2H3,(H,29,30,31)(H,32,33,34)",C28H44O6S2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18113,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.446,SGVGYKFWOFPROF-UHFFFAOYSA-N,,,,,,,,,,,
100.056.447,262-111-2,60228-81-1,"[(6,8-dibutyl-2,4,6,8-tetramethylcyclotetrasiloxane-2,4-diyl)di(oxy)]bis(diethylamine)","N,N'-[(6,8-dibutyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane-2,4-diyl)bis(oxy)]bis(N-ethylethanamine)",CCCC[Si]1(C)O[Si](C)(CCCC)O[Si](C)(ON(CC)CC)O[Si](C)(ON(CC)CC)O1,CCCC[Si]1(C)O[Si](C)(CCCC)O[Si](C)(ON(CC)CC)O[Si](C)(ON(CC)CC)O1,"InChI=1/C20H50N2O6Si4/c1-11-17-19-29(7)25-30(8,20-18-12-2)27-32(10,24-22(15-5)16-6)28-31(9,26-29)23-21(13-3)14-4/h11-20H2,1-10H3",C20H50N2O6Si4,,,,,,WMGUKCPTJDQBMW-UHFFFAOYSA-N,,,,,,,,,,,
100.056.453,262-118-0,60241-55-6,"a,ß,2,2,6-pentamethylcyclohexylpropyl acetate","1,2-dimethyl-3-(2,2,6-trimethylcyclohexyl)propyl acetate",CC(CC1C(C)CCCC1(C)C)C(C)OC(=O)C,CC(CC1C(C)CCCC1(C)C)C(C)OC(=O)C,"InChI=1/C16H30O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h11-13,15H,7-10H2,1-6H3",C16H30O2,,,,,,URFHDVSDYWQMJU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.454,262-119-6,60241-68-1,"3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-one","3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-one",CC(CC1C(C)CCCC1(C)C)C(=O)C,CC(CC1C(C)CCCC1(C)C)C(=O)C,"InChI=1/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h10-11,13H,6-9H2,1-5H3",C14H26O,,,,,,NSCHHIJUBNTNRY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.809,263-610-8,62572-84-3,"5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-2-sulphophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]-2-hydroxybenzoic acid","5-[(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]-2-sulfophenyl}amino)-6-anilino-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]-2-hydroxybenzoic acid",OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc8nc(Nc3ccccc3)nc(Nc7ccc(Nc6cc(c(N)c5C(=O)c4ccccc4C(=O)c56)S(O)(=O)=O)cc7S(O)(=O)=O)n8,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc8nc(Nc3ccccc3)nc(Nc7ccc(Nc6cc(c(N)c5C(=O)c4ccccc4C(=O)c56)S(O)(=O)=O)cc7S(O)(=O)=O)n8,"InChI=1/C42H30N10O11S2/c43-36-33(65(61,62)63)20-30(34-35(36)38(55)27-9-5-4-8-26(27)37(34)54)44-24-14-16-29(32(19-24)64(58,59)60)47-42-49-40(45-21-6-2-1-3-7-21)48-41(50-42)46-22-10-12-23(13-11-22)51-52-25-15-17-31(53)28(18-25)39(56)57/h1-20,44,53H,43H2,(H,56,57)(H,58,59,60)(H,61,62,63)(H3,45,46,47,48,49,50)",C42H30N10O11S2,,,,,,YBCFCHUWSLKEGT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.810,263-611-3,62574-16-7,"Disodium 3,3'-dithiobispropionate","disodium 3,3'-disulfanediyldipropanoate",[Na+].[Na+].[O-]C(=O)CCSSCCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CCSSCCC(=O)[O-],"InChI=1/C6H10O4S2.2Na/c7-5(8)1-3-11-12-4-2-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H10O4S2.2Na,,,,,,KZDMRBDDZKHDLP-UHFFFAOYSA-L,,,,,,,,,,,
100.051.710,256-900-0,50992-45-5,"6,6'-methylenebis(4-chloro-2-isopropyl-m-cresol)","2,2'-methylenebis(4-chloro-6-isopropyl-5-methylphenol)",CC(C)c1c(C)c(Cl)cc(Cc2cc(Cl)c(C)c(C(C)C)c2O)c1O,CC(C)c1c(C)c(Cl)cc(Cc2cc(Cl)c(C)c(C(C)C)c2O)c1O,"InChI=1/C21H26Cl2O2/c1-10(2)18-12(5)16(22)8-14(20(18)24)7-15-9-17(23)13(6)19(11(3)4)21(15)25/h8-11,24-25H,7H2,1-6H3",C21H26Cl2O2,,,,,,GHOQPLKDCJYBIC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.649,253-533-8,37509-99-2,Dihexylmagnesium,dihexylmagnesium,CCCCCC[Mg]CCCCCC,CCCCCC[Mg]CCCCCC,"InChI=1/2C6H13.Mg/c2*1-3-5-6-4-2;/h2*1,3-6H2,2H3;/rC12H26Mg/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3",C12H26Mg,,,,,,ZKSADANYBSWZAB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.668,253-554-2,37574-18-8,Methyl 1H-benzimidazol-2-ylcarbamate monohydrochloride,methyl 1H-benzimidazol-2-ylcarbamate hydrochloride,Cl.COC(=O)Nc1nc2ccccc2[nH]1,Cl.COC(=O)Nc1nc2ccccc2[nH]1,"InChI=1/C9H9N3O2.ClH/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;/h2-5H,1H3,(H2,10,11,12,13);1H",C9H9N3O2.ClH,,,,,,JXBLYSQTCABEMR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.669,253-555-8,37587-81-8,Propyl dichloroacetate,propyl dichloroacetate,CCCOC(=O)C(Cl)Cl,CCCOC(=O)C(Cl)Cl,"InChI=1/C5H8Cl2O2/c1-2-3-9-5(8)4(6)7/h4H,2-3H2,1H3",C5H8Cl2O2,,,,,,AHRFMMRLDGAHBM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.671,253-557-9,37589-57-4,Dotetracontafluoroicosane,dotetracontafluoroicosane,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62",C20F42,,,,,,WSXNCJNDCDTRSA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.672,253-558-4,37591-67-6,"Diphenylmethyl [2S(2a,4ß,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide","diphenylmethyl 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide",CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OC(c4ccccc4)c5ccccc5,CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OC(c4ccccc4)c5ccccc5,"InChI=1/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)",C29H28N2O6S,,,,,,LCRVLXSXMGVJHV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.675,253-562-6,37596-36-4,2-methyldodecanal,2-methyldodecanal,CCCCCCCCCCC(C)C=O,CCCCCCCCCCC(C)C=O,"InChI=1/C13H26O/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h12-13H,3-11H2,1-2H3",C13H26O,,,,,,ISZREKMLQKLUDD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.685,253-573-6,37629-85-9,"(E)-3-(3,4-dimethoxyphenyl)acrylonitrile","3-(3,4-dimethoxyphenyl)acrylonitrile",COc1ccc(\\C=C\\C#N)cc1OC,COc1ccc(\C=C\C#N)cc1OC,"InChI=1/C11H11NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8H,1-2H3",C11H11NO2,,,,,,WGPTVEZJYRFEGT-ONEGZZNKSA-N,,,,,,,,,,,
100.048.687,253-575-7,37640-57-6,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine (1:1)","1,3,5-triazinane-2,4,6-trione - 1,3,5-triazine-2,4,6-triamine (1:1)",Nc1nc(N)nc(N)n1.O=C2NC(=O)NC(=O)N2,Nc1nc(N)nc(N)n1.O=C2NC(=O)NC(=O)N2,"InChI=1/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9)",C3H6N6.C3H3N3O3,Full,Joint,10000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15185,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.687,ZQKXQUJXLSSJCH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.454,255-519-7,41727-17-7,"Dibutyl pyridine-2,6-dicarboxylate","dibutyl pyridine-2,6-dicarboxylate",CCCCOC(=O)c1cccc(n1)C(=O)OCCCC,CCCCOC(=O)c1cccc(n1)C(=O)OCCCC,"InChI=1/C15H21NO4/c1-3-5-10-19-14(17)12-8-7-9-13(16-12)15(18)20-11-6-4-2/h7-9H,3-6,10-11H2,1-2H3",C15H21NO4,,,,,,SJGUKBIVRJZPJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.456,255-521-8,41727-47-3,"Methyl 3,5-dibromo-4-hydroxybenzoate","methyl 3,5-dibromo-4-hydroxybenzoate",COC(=O)c1cc(Br)c(O)c(Br)c1,COC(=O)c1cc(Br)c(O)c(Br)c1,"InChI=1/C8H6Br2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3",C8H6Br2O3,,,,,,NVGJGYZKXBLIKY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.457,255-522-3,41729-43-5,"2-[2-(acetylphenylamino)vinyl]-3-ethyl-5,6-dimethylbenzoxazolium iodide","2-{2-[acetyl(phenyl)amino]vinyl}-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]1c(oc2cc(C)c(C)cc12)\\C=C\\N(C(=O)C)c3ccccc3,[I-].CC[n+]1c(oc2cc(C)c(C)cc12)\C=C\N(C(=O)C)c3ccccc3,"InChI=1/C21H23N2O2.HI/c1-5-22-19-13-15(2)16(3)14-20(19)25-21(22)11-12-23(17(4)24)18-9-7-6-8-10-18;/h6-14H,5H2,1-4H3;1H/q+1;/p-1",C21H23N2O2.I,,,,,,ZXWXLKDCEHARTI-UHFFFAOYSA-M,,,,,,,,,,,
100.050.458,255-523-9,41730-79-4,1-(methylsulphonyl)imidazolidin-2-one,1-(methylsulfonyl)imidazolidin-2-one,CS(=O)(=O)N1CCNC1=O,CS(=O)(=O)N1CCNC1=O,"InChI=1/C4H8N2O3S/c1-10(8,9)6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)",C4H8N2O3S,,,,,,WTCUHYRXLIHSLY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.460,255-526-5,41733-55-5,Sodium 5-(aminosulphonyl)-4-chloro-2-(furan-2-ylmethyl)anthranilate,"sodium 6-amino-4-chloro-6-(2-furylmethyl)-3-sulfamoylcyclohexa-2,4-diene-1-carboxylate",[Na+].NC1(Cc2occc2)C=C(Cl)C(=CC1C(=O)[O-])S(=O)(=O)N,[Na+].NC1(Cc2occc2)C=C(Cl)C(=CC1C(=O)[O-])S(=O)(=O)N,"InChI=1/C12H13ClN2O5S.Na/c13-9-6-12(14,5-7-2-1-3-20-7)8(11(16)17)4-10(9)21(15,18)19;/h1-4,6,8H,5,14H2,(H,16,17)(H2,15,18,19);/q;+1/p-1",C12H11ClN2O5S.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17939,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.460,VYGOAFQTEKZZFF-UHFFFAOYSA-M,,,,,,,,,,,
100.050.463,255-529-1,41744-75-6,16-methylheptadecan-1-ol,16-methylheptadecan-1-ol,CC(C)CCCCCCCCCCCCCCCO,CC(C)CCCCCCCCCCCCCCCO,"InChI=1/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3",C18H38O,,,,,,WNWHHMBRJJOGFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.800,254-799-8,40127-89-7,3-amino-6-chloromethyl-2-(pyrazin-4-oxide)carbonitrile,3-amino-6-(chloromethyl)pyrazine-2-carbonitrile 4-oxide,Nc1c(nc(CCl)cn1=O)C#N,Nc1c(nc(CCl)cn1=O)C#N,"InChI=1/C6H5ClN4O/c7-1-4-3-11(12)6(9)5(2-8)10-4/h3H,1,9H2",C6H5ClN4O,,,,,,MOTPZQHCPMUIMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.807,254-806-4,40135-38-4,"(±)-1,5-dimethyl-1-vinylhex-4-enyl acetate","1,5-dimethyl-1-vinylhex-4-en-1-yl acetate",CC(=CCCC(C)(OC(=O)C)C=C)C,CC(=CCCC(C)(OC(=O)C)C=C)C,"InChI=1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",C12H20O2,,,,,,UWKAYLJWKGQEPM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.808,254-808-5,40136-65-0,Isopropyl methyl disulphide,2-(methyldisulfanyl)propane,CSSC(C)C,CSSC(C)C,"InChI=1/C4H10S2/c1-4(2)6-5-3/h4H,1-3H3",C4H10S2,,,,,,MRCFHOIQEFOJEC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.809,254-809-0,40137-22-2,"3-(methylamino)propane-1,2-diol","3-(methylamino)propane-1,2-diol",CNCC(O)CO,CNCC(O)CO,"InChI=1/C4H11NO2/c1-5-2-4(7)3-6/h4-7H,2-3H2,1H3",C4H11NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13372,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.809,WOMTYMDHLQTCHY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.812,254-812-7,40144-33-0,"N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]methanesulphonamide","N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]methanesulfonamide",CS(=O)(=O)Nc1ccccc1C2=Nc3ccccc3C(=O)O2,CS(=O)(=O)Nc1ccccc1C2=Nc3ccccc3C(=O)O2,"InChI=1/C15H12N2O4S/c1-22(19,20)17-13-9-5-2-6-10(13)14-16-12-8-4-3-7-11(12)15(18)21-14/h2-9,17H,1H3",C15H12N2O4S,,,,,,RWGRZFIQGUSROZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.815,254-815-3,40161-94-2,"5-oxo-L-proline, compound with dodecylamine (1:1)",5-oxo-L-proline - dodecan-1-amine (1:1),CCCCCCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C12H27N.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-4-2-1-3(6-4)5(8)9/h2-13H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C12H27N.C5H7NO3,,,,,,WXHWSZHFVGYRGP-HVDRVSQOSA-N,,,,,,,,,,,
100.049.818,254-819-5,40165-68-2,Dioleylamine,N-octadec-9-en-1-yloctadec-9-en-1-amine,CCCCCCCC\\C=C/CCCCCCCCNCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCNCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3",C36H71N,,,,,,JTQQDDNCCLCMER-CLFAGFIQSA-N,,,,,,,,,,,
100.049.820,254-821-6,40171-86-6,1-(ethylamino)propan-2-ol,1-(ethylamino)propan-2-ol,CCNCC(C)O,CCNCC(C)O,"InChI=1/C5H13NO/c1-3-6-4-5(2)7/h5-7H,3-4H2,1-2H3",C5H13NO,,,,,,UCYJVNBJCIZMTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.832,254-834-7,40198-53-6,Tioxaprofen,"2-{[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl}propanoic acid",CC(Sc1oc(c2ccc(Cl)cc2)c(n1)c3ccc(Cl)cc3)C(=O)O,CC(Sc1oc(c2ccc(Cl)cc2)c(n1)c3ccc(Cl)cc3)C(=O)O,"InChI=1/C18H13Cl2NO3S/c1-10(17(22)23)25-18-21-15(11-2-6-13(19)7-3-11)16(24-18)12-4-8-14(20)9-5-12/h2-10H,1H3,(H,22,23)",C18H13Cl2NO3S,,,,,,WGDADRBTCPGSDG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.842,254-845-7,40220-90-4,"1-allyl-1,1-dimethyl-2-palmitoylhydrazinium chloride","1-allyl-1,1-dimethyl-2-palmitoyldiazanium chloride",[Cl-].CCCCCCCCCCCCCCCC(=O)N[N+](C)(C)CC=C,[Cl-].CCCCCCCCCCCCCCCC(=O)N[N+](C)(C)CC=C,"InChI=1/C21H42N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)22-23(3,4)20-6-2;/h6H,2,5,7-20H2,1,3-4H3;1H",C21H43N2O.Cl,,,,,,MBBWJOFRNVCYDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.845,254-848-3,40227-15-4,"N,N'-diacetyloxamide","N,N'-diacetylethanediamide",CC(=O)NC(=O)C(=O)NC(=O)C,CC(=O)NC(=O)C(=O)NC(=O)C,"InChI=1/C6H8N2O4/c1-3(9)7-5(11)6(12)8-4(2)10/h1-2H3,(H,7,9,11)(H,8,10,12)",C6H8N2O4,,,,,,YKLXUKBPDJLLMU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.846,254-849-9,40228-93-1,15-phenylpentadecanoic acid,15-phenylpentadecanoic acid,OC(=O)CCCCCCCCCCCCCCc1ccccc1,OC(=O)CCCCCCCCCCCCCCc1ccccc1,"InChI=1/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23)",C21H34O2,,,,,,BKXIGVQZLPZYLM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.847,254-850-4,40232-93-7,Bis(4-hydroxyphenyl)acetic acid,bis(4-hydroxyphenyl)acetic acid,OC(=O)C(c1ccc(O)cc1)c2ccc(O)cc2,OC(=O)C(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C14H12O4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13,15-16H,(H,17,18)",C14H12O4,,,,,,SCBGJZIOPNAEMH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.848,254-852-5,40233-98-5,"Ethyl 3,4-dimethoxyphenylglyoxylate","ethyl (3,4-dimethoxyphenyl)(oxo)acetate",CCOC(=O)C(=O)c1ccc(OC)c(OC)c1,CCOC(=O)C(=O)c1ccc(OC)c(OC)c1,"InChI=1/C12H14O5/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3/h5-7H,4H2,1-3H3",C12H14O5,,,,,,YBYLSOVTGVAJDY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.849,254-853-0,40239-01-8,"4,6,6-trimethylheptan-2-one","4,6,6-trimethylheptan-2-one",CC(CC(=O)C)CC(C)(C)C,CC(CC(=O)C)CC(C)(C)C,"InChI=1/C10H20O/c1-8(6-9(2)11)7-10(3,4)5/h8H,6-7H2,1-5H3",C10H20O,,,,,,HSCMOVWILATROF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.643,256-826-9,50883-59-5,Ethylenediammonium disulphamate,"ethane-1,2-diaminium disulfamate",NS(=O)(=O)[O-].NS(=O)(=O)[O-].[NH3+]CC[NH3+],NS(=O)(=O)[O-].NS(=O)(=O)[O-].[NH3+]CC[NH3+],"InChI=1/C2H8N2.2H3NO3S/c3-1-2-4;2*1-5(2,3)4/h1-4H2;2*(H3,1,2,3,4)",C2H8N2.2H3NO3S,,,,,,NGAPHISYBLYKTB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.648,256-832-1,50893-36-2,1-chloroethyl ethyl carbonate,1-chloroethyl ethyl carbonate,CCOC(=O)OC(C)Cl,CCOC(=O)OC(C)Cl,"InChI=1/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3",C5H9ClO3,,,,,,YVRGKFXJZCTTRB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.652,256-836-3,50905-71-0,Bis[3-(3-amino-3-oxopropyl)-2-[(1-methyl-2-phenyl-1H-indol-3-yl)azo]thiazolium] tetrachlorozincate(2-),"bis{3-(3-amino-3-oxopropyl)-2-[(1-methyl-2-phenyl-1H-indol-3-yl)diazenyl]-1,3-thiazol-3-ium} tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.NC(=O)CC[n+]4ccsc4N=Nc3c1ccccc1n(C)c3c2ccccc2.NC(=O)CC[n+]4ccsc4N=Nc2c(c1ccccc1)n(C)c3ccccc23,Cl[Zn-2](Cl)(Cl)Cl.NC(=O)CC[n+]4ccsc4N=Nc3c1ccccc1n(C)c3c2ccccc2.NC(=O)CC[n+]4ccsc4N=Nc2c(c1ccccc1)n(C)c3ccccc23,"InChI=1/2C21H19N5OS.4ClH.Zn/c2*1-25-17-10-6-5-9-16(17)19(20(25)15-7-3-2-4-8-15)23-24-21-26(13-14-28-21)12-11-18(22)27;;;;;/h2*2-10,13-14H,11-12H2,1H3,(H-,22,27);4*1H;/q;;;;;;+2/p-2/r2C21H19N5OS.Cl4Zn/c2*1-25-17-10-6-5-9-16(17)19(20(25)15-7-3-2-4-8-15)23-24-21-26(13-14-28-21)12-11-18(22)27;1-5(2,3)4/h2*2-10,13-14H,11-12H2,1H3,(H-,22,27);/q;;-2/p+2",C21H20N5OS.1/2Cl4Zn,,,,,,WBQPLFDPSZNURW-UHFFFAOYSA-L,,,,,,,,,,,
100.051.653,256-837-9,50906-66-6,"1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl-ß-D-glucopyranoside","3-[(5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-olate (non-preferred name)",CC1(O)CC(O)C2C=COC(O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3[O-])C12,CC1(O)CC(O)C2C=COC(O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3[O-])C12,"InChI=1/C15H23O9/c1-15(21)4-7(17)6-2-3-22-14(9(6)15)24-12-11(19)10(18)8(5-16)23-13(12)20/h2-3,6-14,16-19,21H,4-5H2,1H3/q-1",C15H24O9,,,,,,QEUFQRKTFMQBDN-KEECQJAZSA-N,,,,,,,,,,,
100.051.654,256-838-4,50906-77-9,"3,3'-dithiobis(propionohydrazide)","3,3'-disulfanediyldipropanehydrazide",NNC(=O)CCSSCCC(=O)NN,NNC(=O)CCSSCCC(=O)NN,"InChI=1/C6H14N4O2S2/c7-9-5(11)1-3-13-14-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)",C6H14N4O2S2,,,,,,GYQOUZKNOIHPOP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.660,256-845-2,50916-31-9,a-hydroxybenzeneacetyl chloride,hydroxy(phenyl)acetyl chloride,OC(C(=O)Cl)c1ccccc1,OC(C(=O)Cl)c1ccccc1,"InChI=1/C8H7ClO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H",C8H7ClO2,,,,,,PUWQVDWJJCSTLK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.478,258-845-8,53892-69-6,"4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-2,4-dienal","4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-2,4-dienal",CC1(C)CCCC(\\C)=C1\\CC=C(C)C=CC=O,CC1(C)CCCC(\C)=C1\CC=C(C)C=CC=O,"InChI=1/C16H24O/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h6-7,9,12H,5,8,10-11H2,1-4H3",C16H24O,,,,,,YVCKCKBEWSFPIW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.480,258-847-9,53894-23-8,"Triisononyl benzene-1,2,4-tricarboxylate","tris(7-methyloctyl) benzene-1,2,4-tricarboxylate",CC(C)CCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC(C)C)c(c1)C(=O)OCCCCCCC(C)C,CC(C)CCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC(C)C)c(c1)C(=O)OCCCCCCC(C)C,"InChI=1/C36H60O6/c1-28(2)19-13-7-10-16-24-40-34(37)31-22-23-32(35(38)41-25-17-11-8-14-20-29(3)4)33(27-31)36(39)42-26-18-12-9-15-21-30(5)6/h22-23,27-30H,7-21,24-26H2,1-6H3",C36H60O6,,,,,,YPDXSCXISVYHOB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.481,258-848-4,53894-28-3,[[(2-aminoethyl)amino]methyl]phenol,2-{[(2-aminoethyl)amino]methyl}phenol,NCCNCc1ccccc1O,NCCNCc1ccccc1O,"InChI=1/C9H14N2O/c10-5-6-11-7-8-3-1-2-4-9(8)12/h1-4,11-12H,5-7,10H2",C9H14N2O,,,,,,ZJSCDDIGFJQVAC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.485,258-853-1,53897-32-8,2-ethyl-3-propyloxirane,2-ethyl-3-propyloxirane,CCCC1OC1CC,CCCC1OC1CC,"InChI=1/C7H14O/c1-3-5-7-6(4-2)8-7/h6-7H,3-5H2,1-2H3",C7H14O,,,,,,ZNAFWUJVHGNGIF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.494,258-863-6,53918-53-9,"4-[1-[[[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid","4-(1-{[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]carbamoyl}-3,3-dimethyl-2-oxobutoxy)benzoic acid",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(cc3)C(=O)O)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(cc3)C(=O)O)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,"InChI=1/C40H51ClN2O7/c1-10-39(6,7)26-16-21-32(29(23-26)40(8,9)11-2)49-22-12-13-33(44)42-27-17-20-30(41)31(24-27)43-36(46)34(35(45)38(3,4)5)50-28-18-14-25(15-19-28)37(47)48/h14-21,23-24,34H,10-13,22H2,1-9H3,(H,42,44)(H,43,46)(H,47,48)",C40H51ClN2O7,,,,,,UHUHWJMSXWDGAT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.497,258-866-2,53926-30-0,Bis[3-methyl-1-(2-methylpropyl)butyl] maleate,bis(1-isobutyl-3-methylbutyl) but-2-enedioate,CC(C)CC(CC(C)C)OC(=O)\\C=C/C(=O)OC(CC(C)C)CC(C)C,CC(C)CC(CC(C)C)OC(=O)\C=C/C(=O)OC(CC(C)C)CC(C)C,"InChI=1/C22H40O4/c1-15(2)11-19(12-16(3)4)25-21(23)9-10-22(24)26-20(13-17(5)6)14-18(7)8/h9-10,15-20H,11-14H2,1-8H3",C22H40O4,,,,,,UKKYKDNJYATJBV-KTKRTIGZSA-N,,,,,,,,,,,
100.057.817,263-619-7,62592-60-3,"2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[[3-[[[3-[(3-cyano-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-methoxyphenyl]sulfonyl]amino]phenyl]sulfonyl]amino]-1-hydroxy-","N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-4-[({3-[({3-[(3-cyano-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-4-methoxyphenyl}sulfonyl)amino]phenyl}sulfonyl)amino]-1-hydroxy-2-naphthamide",CC(C)(CC)c7ccc(OCCCCNC(=O)c6cc(NS(=O)(=O)c1cccc(c1)NS(=O)(=O)c4cc(N=NC3C(\\C#N)=N/N(c2ccccc2)C3=O)c(OC)cc4)c5ccccc5c6O)c(c7)C(C)(C)CC,CC(C)(CC)c7ccc(OCCCCNC(=O)c6cc(NS(=O)(=O)c1cccc(c1)NS(=O)(=O)c4cc(N=NC3C(\C#N)=N/N(c2ccccc2)C3=O)c(OC)cc4)c5ccccc5c6O)c(c7)C(C)(C)CC,"InChI=1/C54H58N8O9S2/c1-8-53(3,4)35-24-26-47(43(30-35)54(5,6)9-2)71-29-16-15-28-56-51(64)42-33-44(40-22-13-14-23-41(40)50(42)63)61-73(68,69)38-21-17-18-36(31-38)60-72(66,67)39-25-27-48(70-7)45(32-39)57-58-49-46(34-55)59-62(52(49)65)37-19-11-10-12-20-37/h10-14,17-27,30-33,49,60-61,63H,8-9,15-16,28-29H2,1-7H3,(H,56,64)",C54H58N8O9S2,,,,,,BIBDVUONOGUEJL-UHFFFAOYSA-N,,,,,,,,,,,
100.057.821,263-623-9,62601-17-6,Pentachloro[(chloromethyl)thio]benzene,"1,2,3,4,5-pentachloro-6-[(chloromethyl)sulfanyl]benzene",ClCSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,ClCSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C7H2Cl6S/c8-1-14-7-5(12)3(10)2(9)4(11)6(7)13/h1H2,C7H2Cl6S,,,,,,SEBXHYNSUTYHGW-UHFFFAOYSA-N,,,,,,,,,,,
100.057.825,263-628-6,62607-26-5,"N-[5-[bis(2-methoxyethyl)amino]-2-[(2-iodo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-[bis(2-methoxyethyl)amino]-2-[(2-iodo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",COc2cc(N=Nc1c(cc(cc1I)[N+]([O-])=O)[N+]([O-])=O)c(cc2N(CCOC)CCOC)NC(C)=O,COc2cc(N=Nc1c(cc(cc1I)[N+]([O-])=O)[N+]([O-])=O)c(cc2N(CCOC)CCOC)NC(C)=O,"InChI=1/C21H25IN6O8/c1-13(29)23-16-11-18(26(5-7-34-2)6-8-35-3)20(36-4)12-17(16)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h9-12H,5-8H2,1-4H3,(H,23,29)",C21H25IN6O8,,,,,,SMHNZXAPRVGABZ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.836,263-640-1,62613-81-4,Ethyl 4-hydroxy-2-oxopyrrolidine-1-acetate,ethyl (4-hydroxy-2-oxopyrrolidin-1-yl)acetate,CCOC(=O)CN1CC(O)CC1=O,CCOC(=O)CN1CC(O)CC1=O,"InChI=1/C8H13NO4/c1-2-13-8(12)5-9-4-6(10)3-7(9)11/h6,10H,2-5H2,1H3",C8H13NO4,,,,,,YDBONCLBTWFUPF-UHFFFAOYSA-N,,,,,,,,,,,
100.059.734,265-726-4,65383-61-1,"2,3-dihydro-6,7-dimethoxy-2,2-dimethyl-4H-1-benzopyran-4-one","6,7-dimethoxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one",COc1cc2OC(C)(C)CC(=O)c2cc1OC,COc1cc2OC(C)(C)CC(=O)c2cc1OC,"InChI=1/C13H16O4/c1-13(2)7-9(14)8-5-11(15-3)12(16-4)6-10(8)17-13/h5-6H,7H2,1-4H3",C13H16O4,,,,,,OMWVNQFGCGNZHE-UHFFFAOYSA-N,,,,,,,,,,,
100.059.735,265-728-5,65383-73-5,"7-ethoxy-6-methoxy-2,2-dimethylchromene","7-ethoxy-6-methoxy-2,2-dimethyl-2H-chromene",CCOc1cc2OC(C)(C)C=Cc2cc1OC,CCOc1cc2OC(C)(C)C=Cc2cc1OC,"InChI=1/C14H18O3/c1-5-16-13-9-11-10(8-12(13)15-4)6-7-14(2,3)17-11/h6-9H,5H2,1-4H3",C14H18O3,,,,,,RFJPSAYWKBGVAW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.745,265-739-5,65405-68-7,3-(hydroxymethyl)heptan-2-one,3-(hydroxymethyl)heptan-2-one,CCCCC(CO)C(=O)C,CCCCC(CO)C(=O)C,"InChI=1/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3",C8H16O2,,,,,,MHOXVRWQBOAOAU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.746,265-740-0,65405-69-8,Cyclohexyl cyclopent-2-ene-1-acetate,cyclohexyl cyclopent-2-en-1-ylacetate,O=C(CC1CCC=C1)OC2CCCCC2,O=C(CC1CCC=C1)OC2CCCCC2,"InChI=1/C13H20O2/c14-13(10-11-6-4-5-7-11)15-12-8-2-1-3-9-12/h4,6,11-12H,1-3,5,7-10H2",C13H20O2,,,,,,QIRQXZYFSAUIFV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.749,265-743-7,65405-73-4,"(E)-[(3,7-dimethyl-2,6-octadienyl)oxy]acetaldehyde","[(3,7-dimethylocta-2,6-dien-1-yl)oxy]acetaldehyde",CC(=CCC\\C(=C\\COCC=O)\\C)C,CC(=CCC\C(=C\COCC=O)\C)C,"InChI=1/C12H20O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,7-8H,4,6,9-10H2,1-3H3",C12H20O2,,,,,,LAUVMIDRJMQUQL-KPKJPENVSA-N,,,,,,,,,,,
100.061.506,267-677-4,67905-56-0,1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]anthraquinone monohydrochloride,"1-amino-4-({4-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone hydrochloride",Cl.CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,Cl.CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C23H21N3O2.ClH/c1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27;/h3-12,25H,13,24H2,1-2H3;1H",C23H21N3O2.ClH,,,,,,JPJZNMUFYKRLGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.508,267-680-0,67905-59-3,[2-[ethyl(3-methylphenyl)amino]ethyl]trimethylammonium hydrogen sulphate,"2-[ethyl(3-methylphenyl)amino]-N,N,N-trimethylethanaminium hydrogen sulfate",CCN(CC[N+](C)(C)C)c1cccc(C)c1.[O-]S(=O)(=O)[O-],CCN(CC[N+](C)(C)C)c1cccc(C)c1.[O-]S(=O)(=O)[O-],"InChI=1/C14H25N2.H2O4S/c1-6-15(10-11-16(3,4)5)14-9-7-8-13(2)12-14;1-5(2,3)4/h7-9,12H,6,10-11H2,1-5H3;(H2,1,2,3,4)/q+1;/p-2",C14H25N2.HO4S,,,,,,BDIPJSPAMLNESS-UHFFFAOYSA-L,,,,,,,,,,,
100.055.910,261-521-9,58958-60-4,Isooctadecyl pivalate,16-methylheptadecyl pivalate,CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C,CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C,"InChI=1/C23H46O2/c1-21(2)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-25-22(24)23(3,4)5/h21H,6-20H2,1-5H3",C23H46O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17586,https://echa.europa.eu/substance-information/-/substanceinfo/100.055.910,JSOVGYMVTPPEND-UHFFFAOYSA-N,,,,,,,,,,,
100.055.913,261-525-0,58965-50-7,Benzyldimethyloctylammonium bromide,"N-benzyl-N,N-dimethyloctan-1-aminium bromide",[Br-].CCCCCCCC[N+](C)(C)Cc1ccccc1,[Br-].CCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C17H30N.BrH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1",C17H30N.Br,,,,,,JBJPHJWPSMUIJR-UHFFFAOYSA-M,,,,,,,,,,,
100.050.468,255-534-9,41755-67-3,"Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl cinnamate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 3-phenylacrylate",CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OC(=O)\\C=C\\c3ccccc3,CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OC(=O)\C=C\c3ccccc3,"InChI=1/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3",C19H24O2,,,,,,ACTRLDZRLKIJEH-YWDJBNJMSA-N,,,,,,,,,,,
100.050.471,255-538-0,41760-84-3,Diethyl (methoxycarbonyl)phosphonate,methyl diethoxyphosphinecarboxylate oxide,CCOP(=O)(OCC)C(=O)OC,CCOP(=O)(OCC)C(=O)OC,"InChI=1/C6H13O5P/c1-4-10-12(8,11-5-2)6(7)9-3/h4-5H2,1-3H3",C6H13O5P,,,,,,MLJVWFGPQCOELH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.472,255-539-6,41761-00-6,Methyl phenylchlorophosphonate,methyl phenylphosphonochloridoate,COP(=O)(Cl)c1ccccc1,COP(=O)(Cl)c1ccccc1,"InChI=1/C7H8ClO2P/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3",C7H8ClO2P,,,,,,FTECLVMZQARBMA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.473,255-540-1,41762-76-9,3-(methylsulphonyl)-2-oxoimidazolidine-1-carbonyl chloride,3-(methylsulfonyl)-2-oxoimidazolidine-1-carbonyl chloride,CS(=O)(=O)N1CCN(C(=O)Cl)C1=O,CS(=O)(=O)N1CCN(C(=O)Cl)C1=O,"InChI=1/C5H7ClN2O4S/c1-13(11,12)8-3-2-7(4(6)9)5(8)10/h2-3H2,1H3",C5H7ClN2O4S,,,,,,ZWTPALHHEULAPI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.483,255-551-1,41781-44-6,"N,N-diisopropylbutylamine","N,N-diisopropylbutan-1-amine",CCCCN(C(C)C)C(C)C,CCCCN(C(C)C)C(C)C,"InChI=1/C10H23N/c1-6-7-8-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3",C10H23N,,,,,,KLVOSHOFGYMCCP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.486,255-554-8,41790-27-6,Diethyl (1-naphthylmethyl)tetrahydrofurfurylmalonate,diethyl (1-naphthylmethyl)(tetrahydrofuran-2-ylmethyl)malonate,CCOC(=O)C(CC1CCCO1)(Cc2cccc3ccccc23)C(=O)OCC,CCOC(=O)C(CC1CCCO1)(Cc2cccc3ccccc23)C(=O)OCC,"InChI=1/C23H28O5/c1-3-26-21(24)23(22(25)27-4-2,16-19-12-8-14-28-19)15-18-11-7-10-17-9-5-6-13-20(17)18/h5-7,9-11,13,19H,3-4,8,12,14-16H2,1-2H3",C23H28O5,,,,,,XGSMOSALSJBVLR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.493,255-562-1,41840-28-2,"tert-butyl S-(4,6-dimethylpyrimidin-2-yl) thiocarbonate","O-tert-butyl S-(4,6-dimethylpyrimidin-2-yl) thiocarbonate",Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1,Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1,"InChI=1/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3",C11H16N2O2S,,,,,,POTDIELOEHTPJN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.495,255-564-2,41847-86-3,"8-(2,2-dimethoxyethoxy)-2,6-dimethyloct-2-ene","8-(2,2-dimethoxyethoxy)-2,6-dimethyloct-2-ene",COC(COCCC(C)CCC=C(C)C)OC,COC(COCCC(C)CCC=C(C)C)OC,"InChI=1/C14H28O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,13-14H,6,8-11H2,1-5H3",C14H28O3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16389,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.495,NVDQZWFNNNAZNK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.497,255-566-3,41859-57-8,4-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide,4-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide,Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1,Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1,"InChI=1/C15H14ClNO2/c16-13-5-3-12(4-6-13)15(19)17-10-9-11-1-7-14(18)8-2-11/h1-8,18H,9-10H2,(H,17,19)",C15H14ClNO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16760,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.497,ZTLWJYCDAXUIBK-UHFFFAOYSA-N,Positive,ET290101|ET290102|ET290103|ET290104|ET290105|ET290106|ET290107|ET290108|ET290109,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,276.0785:138.9945:121.0648|138.9946:121.0648:155.1068|138.9946:121.0648:88.0757|138.9947:121.0648:93.0699|138.9946:103.0542:121.0648|139.0059:103.0542:91.0542|95.0492:91.0542:75.0229|75.0229:95.0492:51.0229|51.0229:75.0229:74.0151,Eawag_Additional_Specs,,,,,
100.050.499,255-568-4,41863-30-3,Sodium DL-methionate,sodium 2-amino-4-(methylsulfanyl)butanoate,[Na+].CSCC[C@H](N)C(=O)[O-],[Na+].CSCC[C@H](N)C(=O)[O-],"InChI=1/C5H11NO2S.Na/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);/q;+1/p-1",C5H11NO2S.Na,,,,,,IREPZTZSVPKCAR-WCCKRBBISA-M,,,,,,,,,,,
100.053.570,258-946-7,54060-92-3,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium methyl sulphate","2-[(4-methoxyphenyl)(methyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium methyl sulfate",[O-]S(=O)(=O)OC.COc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[O-]S(=O)(=O)OC.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3O.CH4O4S/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C20H24N3O.CH3O4S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17610,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.570,SPWPAFQLIZTXFN-UHFFFAOYSA-M,,,,,,,,,,,
100.053.574,258-950-9,54061-90-4,Trimethoxybenzaldehyde,"2,3,4-trimethoxybenzaldehyde",COc1ccc(C=O)c(OC)c1OC,COc1ccc(C=O)c(OC)c1OC,"InChI=1/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3",C10H12O4,,,,,,UCTUXUGXIFRVGX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.584,258-961-9,54076-72-1,Tris(4-dodecylphenyl) phosphite,tris(4-dodecylphenyl) phosphite,CCCCCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCCCCC)cc2)Oc3ccc(CCCCCCCCCCCC)cc3)cc1,CCCCCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCCCCC)cc2)Oc3ccc(CCCCCCCCCCCC)cc3)cc1,"InChI=1/C54H87O3P/c1-4-7-10-13-16-19-22-25-28-31-34-49-37-43-52(44-38-49)55-58(56-53-45-39-50(40-46-53)35-32-29-26-23-20-17-14-11-8-5-2)57-54-47-41-51(42-48-54)36-33-30-27-24-21-18-15-12-9-6-3/h37-48H,4-36H2,1-3H3",C54H87O3P,,,,,,BRGHSAQXRXNDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.598,258-977-6,54106-40-0,o-(o-nitrophenoxy)toluene,1-methyl-2-(2-nitrophenoxy)benzene,Cc1ccccc1Oc2ccccc2[N+](=O)[O-],Cc1ccccc1Oc2ccccc2[N+](=O)[O-],"InChI=1/C13H11NO3/c1-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14(15)16/h2-9H,1H3",C13H11NO3,,,,,,GIPFZNBCINBEIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.715,256-905-8,51000-52-3,Vinyl neodecanoate,"vinyl 7,7-dimethyloctanoate",C=COC(=O)CCCCCC(C)(C)C,C=COC(=O)CCCCCC(C)(C)C,"InChI=1/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3",C12H22O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13456,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.715,TVFJAZCVMOXQRK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.855,254-859-3,40254-73-7,"7-[3-[[2-(3,5-dihydroxyphenyl)-2-oxoethyl](phenylmethyl)amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride","7-(3-{benzyl[2-(3,5-dihydroxyphenyl)-2-oxoethyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CN1C(=O)N(C)c2ncn(CCCN(CC(=O)c3cc(O)cc(O)c3)Cc4ccccc4)c2C1=O,Cl.CN1C(=O)N(C)c2ncn(CCCN(CC(=O)c3cc(O)cc(O)c3)Cc4ccccc4)c2C1=O,"InChI=1/C25H27N5O5.ClH/c1-27-23-22(24(34)28(2)25(27)35)30(16-26-23)10-6-9-29(14-17-7-4-3-5-8-17)15-21(33)18-11-19(31)13-20(32)12-18;/h3-5,7-8,11-13,16,31-32H,6,9-10,14-15H2,1-2H3;1H",C25H27N5O5.ClH,,,,,,PZUVSJJEOLUMIN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.858,254-863-5,40258-80-8,1-chloroethyl pivalate,1-chloroethyl pivalate,CC(Cl)OC(=O)C(C)(C)C,CC(Cl)OC(=O)C(C)(C)C,"InChI=1/C7H13ClO2/c1-5(8)10-6(9)7(2,3)4/h5H,1-4H3",C7H13ClO2,,,,,,VQEZDLXEVJCRMO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.176,259-613-9,55360-12-8,Prop-2-ynyl-2-chloropropionate,2-chloro-2-methylpent-4-ynoate,CC(Cl)(CC#C)C(=O)[O-],CC(Cl)(CC#C)C(=O)[O-],"InChI=1/C6H7ClO2/c1-3-4-6(2,7)5(8)9/h1H,4H2,2H3,(H,8,9)/p-1",C6H7ClO2,,,,,,CPWPGKIKIWOBSW-UHFFFAOYSA-M,,,,,,,,,,,
100.054.180,259-618-6,55379-84-5,N-[3-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]acetamide,N-{3-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl}acetamide,CC(=O)Nc1cccc(c1)N(CCO)CCC#N,CC(=O)Nc1cccc(c1)N(CCO)CCC#N,"InChI=1/C13H17N3O2/c1-11(18)15-12-4-2-5-13(10-12)16(8-9-17)7-3-6-14/h2,4-5,10,17H,3,7-9H2,1H3,(H,15,18)",C13H17N3O2,,,,,,ITCQFSOCCFSHHU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.182,259-620-7,55388-44-8,"4,4'-methylenebis[3-methoxy-2-naphthoic] acid","4,4'-methylenebis(3-methoxy-2-naphthoic acid)",COc1c(Cc2c(OC)c(cc3ccccc23)C(=O)O)c4ccccc4cc1C(=O)O,COc1c(Cc2c(OC)c(cc3ccccc23)C(=O)O)c4ccccc4cc1C(=O)O,"InChI=1/C25H20O6/c1-30-22-18(16-9-5-3-7-14(16)11-20(22)24(26)27)13-19-17-10-6-4-8-15(17)12-21(25(28)29)23(19)31-2/h3-12H,13H2,1-2H3,(H,26,27)(H,28,29)",C25H20O6,,,,,,VGNGFRZTSUWCLT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.184,259-622-8,55395-12-5,Cyclotetradec-2-en-1-one,cyclotetradec-2-en-1-one,O=C1CCCCCCCCCCC\\C=C\\1,O=C1CCCCCCCCCCC\C=C\1,"InChI=1/C14H24O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h10,12H,1-9,11,13H2",C14H24O,,,,,,RYRDADIPPFMIQM-ZRDIBKRKSA-N,,,,,,,,,,,
100.054.185,259-623-3,55395-13-6,Cyclotetradec-3-en-1-one,cyclotetradec-3-en-1-one,O=C1CCCCCCCCCC\\C=C/C1,O=C1CCCCCCCCCC\C=C/C1,"InChI=1/C14H24O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h8,10H,1-7,9,11-13H2",C14H24O,,,,,,IQPHHDUFUOUJFQ-NTMALXAHSA-N,,,,,,,,,,,
100.054.187,259-625-4,55403-91-3,1-(2-chloro-4-nitrophenyl)pyrrolidine,1-(2-chloro-4-nitrophenyl)pyrrolidine,[O-][N+](=O)c1ccc(N2CCCC2)c(Cl)c1,[O-][N+](=O)c1ccc(N2CCCC2)c(Cl)c1,"InChI=1/C10H11ClN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2",C10H11ClN2O2,,,,,,XMLGZIMCJDYHOD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.192,259-631-7,55425-23-5,"Hydrogen 5-chloro-2-[[5-chloro-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)","hydrogen 3-[5-chloro-2-{[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate - N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4cc(Cl)ccc4sc3C=C2Sc1ccc(Cl)cc1N2CCCS([O-])(=O)=O,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4cc(Cl)ccc4sc3C=C2Sc1ccc(Cl)cc1N2CCCS([O-])(=O)=O,"InChI=1/C21H20Cl2N2O6S4.C6H15N.H2/c22-14-3-5-18-16(11-14)24(7-1-9-34(26,27)28)20(32-18)13-21-25(8-2-10-35(29,30)31)17-12-15(23)4-6-19(17)33-21;1-4-7(5-2)6-3;/h3-6,11-13H,1-2,7-10H2,(H-,26,27,28,29,30,31);4-6H2,1-3H3;1H/q;;+1/p-1",C21H20Cl2N2O6S4.C6H15N,,,,,,LQSDBGYMCOPHTL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.196,259-635-9,55432-07-0,3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-acetonitrile,[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetonitrile,Clc1ccc(cc1)c2nn(cc2CC#N)c3ccccc3,Clc1ccc(cc1)c2nn(cc2CC#N)c3ccccc3,"InChI=1/C17H12ClN3/c18-15-8-6-13(7-9-15)17-14(10-11-19)12-21(20-17)16-4-2-1-3-5-16/h1-9,12H,10H2",C17H12ClN3,,,,,,SEISKGMLVBKBHK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.199,259-639-0,55441-62-8,"7,9-dihydro-1,9-dimethyl-1H-purine-2,6,8(3H)-trione","1,9-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)NC2=C(NC(=O)N2C)C1=O,CN1C(=O)NC2=C(NC(=O)N2C)C1=O,"InChI=1/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14)",C7H8N4O3,,,,,,UARKDOLETOEBCU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.201,259-641-1,55441-71-9,"7,9-dihydro-9-methyl-1H-purine-2,6,8(3H)-trione","9-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)NC2=C1NC(=O)NC2=O,CN1C(=O)NC2=C1NC(=O)NC2=O,"InChI=1/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)",C6H6N4O3,,,,,,XJEJWDFDVPDMAS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.203,259-643-2,55443-08-8,Methyl 2-oxo-1-pentylcyclopentanecarboxylate,methyl 2-oxo-1-pentylcyclopentanecarboxylate,CCCCCC1(CCCC1=O)C(=O)OC,CCCCCC1(CCCC1=O)C(=O)OC,"InChI=1/C12H20O3/c1-3-4-5-8-12(11(14)15-2)9-6-7-10(12)13/h3-9H2,1-2H3",C12H20O3,,,,,,BRMCOKJTFZKQJK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.204,259-644-8,55447-98-8,Dimethyl 2-sulphoterephthalate,"2,5-bis(methoxycarbonyl)benzenesulfonic acid",COC(=O)c1ccc(C(=O)OC)c(c1)S(=O)(=O)O,COC(=O)c1ccc(C(=O)OC)c(c1)S(=O)(=O)O,"InChI=1/C10H10O7S/c1-16-9(11)6-3-4-7(10(12)17-2)8(5-6)18(13,14)15/h3-5H,1-2H3,(H,13,14,15)",C10H10O7S,,,,,,UOOQUQHTCHZDLK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.217,259-658-4,55474-90-3,"(4,6-dimethylpyrimidin-2-yl)cyanamide","(4,6-dimethylpyrimidin-2-yl)cyanamide",Cc1cc(C)nc(NC#N)n1,Cc1cc(C)nc(NC#N)n1,"InChI=1/C7H8N4/c1-5-3-6(2)11-7(10-5)9-4-8/h3H,1-2H3,(H,9,10,11)",C7H8N4,,,,,,IOQKVEQARXJQKM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.499,258-868-3,53928-30-6,"3,5,6-tri-O-.benzyl-1,2-O-isopropylidene-a-D-glucofuranose","3,4,6-tri-O-benzyl-1,2-O-isopropylidenehex-2-ulofuranose",CC1(C)OCC2(OC(COCc3ccccc3)C(OCc4ccccc4)C2OCc5ccccc5)O1,CC1(C)OCC2(OC(COCc3ccccc3)C(OCc4ccccc4)C2OCc5ccccc5)O1,"InChI=1/C30H34O6/c1-29(2)34-22-30(36-29)28(33-20-25-16-10-5-11-17-25)27(32-19-24-14-8-4-9-15-24)26(35-30)21-31-18-23-12-6-3-7-13-23/h3-17,26-28H,18-22H2,1-2H3",C30H34O6,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5586,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.499,IHXVTMZESISJRL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.631,253-513-9,37464-90-7,"3,4-dihydro-5,8-dimethoxynaphthalen-2(1H)-one","5,8-dimethoxy-3,4-dihydronaphthalen-2(1H)-one",COc1ccc(OC)c2CC(=O)CCc12,COc1ccc(OC)c2CC(=O)CCc12,"InChI=1/C12H14O3/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h5-6H,3-4,7H2,1-2H3",C12H14O3,,,,,,KZNQBPNFLGQMQR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.411,255-471-7,41638-55-5,"Butyl-1,1'-biphenyl",2-butylbiphenyl,CCCCc2ccccc2c1ccccc1,CCCCc2ccccc2c1ccccc1,"InChI=1/C16H18/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9H2,1H3",C16H18,,,,,,RMSGQZDGSZOJMU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.412,255-472-2,41638-59-9,Methylnaphthalenesulphonic acid,2-methylnaphthalene-1-sulfonic acid,Cc1ccc2ccccc2c1S(=O)(=O)O,Cc1ccc2ccccc2c1S(=O)(=O)O,"InChI=1/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3,(H,12,13,14)",C11H10O3S,,,,,,WODGMMJHSAKKNF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.417,255-478-5,41653-99-0,(Z)-non-6-enoic acid,non-6-enoic acid,CC\\C=C/CCCCC(=O)O,CC\C=C/CCCCC(=O)O,"InChI=1/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4H,2,5-8H2,1H3,(H,10,11)",C9H16O2,,,,,,ZPSOISAMGWYNQX-ARJAWSKDSA-N,,,,,,,,,,,
100.050.419,255-480-6,41658-76-8,Magnesium bisgalacturonate,"magnesium bis(2,3,4,5-tetrahydroxy-6-oxohexanoate) (non-preferred name)",[Mg+2].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],[Mg+2].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],"InChI=1/2C6H10O7.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2",C6H10O7.1/2Mg,,,,,,IGOLIOYHVTUECC-PDCYBDDKSA-L,,,,,,,,,,,
100.050.429,255-491-6,41678-32-4,"(2a,4aa8aa)-3,4,4a,5,6,8a-hexahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran","2,5,5,8a-tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-chromene",CC1CCC2C(C)(C)CC=CC2(C)O1,CC1CCC2C(C)(C)CC=CC2(C)O1,"InChI=1/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3",C13H22O,,,,,,IVTQSEFLDHBCDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.431,255-493-7,41680-34-6,3-amino-1H-pyrazole-4-carboxylic acid,3-amino-1H-pyrazole-4-carboxylic acid,Nc1n[nH]cc1C(=O)O,Nc1n[nH]cc1C(=O)O,"InChI=1/C4H5N3O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,8,9)(H3,5,6,7)",C4H5N3O2,,,,,,KMRVTZLKQPFHFS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.432,255-494-2,41680-50-6,"1-(2-chloroanilino)-9-hydroxy-2-methyl-1H-naphth[1,2-d]imidazole-7-sulphonic acid","1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-1H-naphtho[1,2-d]imidazole-7-sulfonic acid",Cc1nc2ccc3cc(cc(O)c3c2n1Nc4ccccc4Cl)S(=O)(=O)O,Cc1nc2ccc3cc(cc(O)c3c2n1Nc4ccccc4Cl)S(=O)(=O)O,"InChI=1/C18H14ClN3O4S/c1-10-20-15-7-6-11-8-12(27(24,25)26)9-16(23)17(11)18(15)22(10)21-14-5-3-2-4-13(14)19/h2-9,21,23H,1H3,(H,24,25,26)",C18H14ClN3O4S,,,,,,KQQXSLCPNZSEDY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.438,255-501-9,41687-30-3,2-[(3-nitrophenyl)sulphonyl]ethanol,2-[(3-nitrophenyl)sulfonyl]ethanol,OCCS(=O)(=O)c1cccc(c1)[N+](=O)[O-],OCCS(=O)(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C8H9NO5S/c10-4-5-15(13,14)8-3-1-2-7(6-8)9(11)12/h1-3,6,10H,4-5H2",C8H9NO5S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10746,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.438,VMORQDKKMBAQPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.448,255-512-9,41715-24-6,"4,4'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis[2,6-di-tert-butylphenol]","4,4'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2,6-di-tert-butylphenol)",CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2OCC3(COC(OC3)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)CO2,CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2OCC3(COC(OC3)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)CO2,"InChI=1/C35H52O6/c1-31(2,3)23-13-21(14-24(27(23)36)32(4,5)6)29-38-17-35(18-39-29)19-40-30(41-20-35)22-15-25(33(7,8)9)28(37)26(16-22)34(10,11)12/h13-16,29-30,36-37H,17-20H2,1-12H3",C35H52O6,,,,,,PWIVQRVFDLNJPF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.518,258-889-8,53957-34-9,Ethylbenzyl alcohol,(2-ethylphenyl)methanol,CCc1ccccc1CO,CCc1ccccc1CO,"InChI=1/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3",C9H12O,,,,,,SBUIQTMDIOLKAL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.524,258-896-6,53973-02-7,"4,6-bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine","4,6-bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine",CCCCNc1nc(OCC=C)nc(OCC=C)n1,CCCCNc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C13H20N4O2/c1-4-7-8-14-11-15-12(18-9-5-2)17-13(16-11)19-10-6-3/h5-6H,2-4,7-10H2,1H3,(H,14,15,16,17)",C13H20N4O2,,,,,,PUGZOQMKGQYAGP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.545,258-918-4,54009-78-8,"[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane","2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C16H5F27O/c17-4(18,1-3-2-44-3)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(19,15(38,39)40)16(41,42)43/h3H,1-2H2",C16H5F27O,,,,,,DIDOQTSWDGCVSY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.919,261-531-3,58977-36-9,6-phenylhexan-3-one,6-phenylhexan-3-one,CCC(=O)CCCc1ccccc1,CCC(=O)CCCc1ccccc1,"InChI=1/C12H16O/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",C12H16O,,,,,,VYHIWVYNVGQASJ-UHFFFAOYSA-N,,,,,,,,,,,
100.055.924,261-537-6,58978-32-8,1H-imidazolecarboxylic acid,1H-imidazole-2-carboxylic acid,OC(=O)c1ncc[nH]1,OC(=O)c1ncc[nH]1,"InChI=1/C4H4N2O2/c7-4(8)3-5-1-2-6-3/h1-2H,(H,5,6)(H,7,8)",C4H4N2O2,,,,,,KYWMCFOWDYFYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.055.929,261-542-3,58985-02-7,"Terpineol, dihydro-",2-(4-methylcyclohexyl)propan-2-ol,CC1CCC(CC1)C(C)(C)O,CC1CCC(CC1)C(C)(C)O,"InChI=1/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,UODXCYZDMHPIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.930,261-543-9,58985-18-5,p-menthan-8-yl acetate,1-methyl-1-(4-methylcyclohexyl)ethyl acetate,CC1CCC(CC1)C(C)(C)OC(=O)C,CC1CCC(CC1)C(C)(C)OC(=O)C,"InChI=1/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3",C12H22O2,,,,,,HBNHCGDYYBMKJN-UHFFFAOYSA-N,,,,,,,,,,,
100.055.951,261-566-4,59026-32-3,"5-ethyldihydro-5-(p-tolyl)-1H,5H-pyrimidine-4,6-dione","5-ethyl-5-(4-methylphenyl)dihydropyrimidine-4,6(1H,5H)-dione",CCC1(C(=O)NCNC1=O)c2ccc(C)cc2,CCC1(C(=O)NCNC1=O)c2ccc(C)cc2,"InChI=1/C13H16N2O2/c1-3-13(10-6-4-9(2)5-7-10)11(16)14-8-15-12(13)17/h4-7H,3,8H2,1-2H3,(H,14,16)(H,15,17)",C13H16N2O2,,,,,,QEZWGNXBAXQVJT-UHFFFAOYSA-N,,,,,,,,,,,
100.055.952,261-568-5,59032-27-8,"Sodium 1,2,3-triazole-5-thiolate","sodium 1H-1,2,3-triazole-5-thiolate",[Na+].[S-]c1cnn[nH]1,[Na+].[S-]c1cnn[nH]1,"InChI=1/C2H3N3S.Na/c6-2-1-3-5-4-2;/h1H,(H2,3,4,5,6);/q;+1/p-1",C2H3N3S.Na,,,,,,HHGMADGROXARPN-UHFFFAOYSA-M,,,,,,,,,,,
100.056.464,262-130-6,60259-81-6,L-ornithine acetate,L-ornithine acetate,CC(=O)O.NCCC[C@H](N)C(=O)O,CC(=O)O.NCCC[C@H](N)C(=O)O,"InChI=1/C5H12N2O2.C2H4O2/c6-3-1-2-4(7)5(8)9;1-2(3)4/h4H,1-3,6-7H2,(H,8,9);1H3,(H,3,4)",C5H12N2O2.C2H4O2,,,,,,PHEDTXJYYFZENX-WCCKRBBISA-N,,,,,,,,,,,
100.056.471,262-137-4,60274-60-4,1-chloro-5-iodopentane,1-chloro-5-iodopentane,ClCCCCCI,ClCCCCCI,InChI=1/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2,C5H10ClI,,,,,,GUUHKOCYWBEGGX-UHFFFAOYSA-N,,,,,,,,,,,
100.056.489,262-157-3,60308-77-2,(Z)-4-ethylhex-2-enoic acid,4-ethylhex-2-enoic acid,CCC(CC)\\C=C/C(=O)O,CCC(CC)\C=C/C(=O)O,"InChI=1/C8H14O2/c1-3-7(4-2)5-6-8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)",C8H14O2,,,,,,JUAHIVUUUQRPLE-WAYWQWQTSA-N,,,,,,,,,,,
100.056.492,262-161-5,60312-95-0,"1-(4'-bromo[1,1'-biphenyl]-4-yl)-2-phenylethan-1-one",1-(4'-bromobiphenyl-4-yl)-2-phenylethanone,Brc1ccc(cc1)c2ccc(cc2)C(=O)Cc3ccccc3,Brc1ccc(cc1)c2ccc(cc2)C(=O)Cc3ccccc3,"InChI=1/C20H15BrO/c21-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(22)14-15-4-2-1-3-5-15/h1-13H,14H2",C20H15BrO,,,,,,GHEGAIKOMWURQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.125,263-958-0,63149-14-4,"Ammonium 1-ethyl 2,7-dihydro-3-methyl-6-[(4-methyl-2-sulphonatophenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate","ammonium 2-{[1-(ethoxycarbonyl)-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl]amino}-5-methylbenzenesulfonate",[NH4+].CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)[O-])ccc(N(C)C1=O)c24,[NH4+].CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)[O-])ccc(N(C)C1=O)c24,"InChI=1/C27H22N2O7S.H3N/c1-4-36-27(32)24-21-15-7-5-6-8-16(15)25(30)22-18(11-12-19(23(21)22)29(3)26(24)31)28-17-10-9-14(2)13-20(17)37(33,34)35;/h5-13,28H,4H2,1-3H3,(H,33,34,35);1H3",C27H22N2O7S.H3N,,,,,,QVXNYPRHFHUQPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.127,263-960-1,63149-22-4,"3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolium chloride","3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]-1,3-benzoxazol-3-ium chloride",[Cl-].CC[n+]1c(oc2ccccc12)\\C=C\\c3cc(C)n(CC)c3C,[Cl-].CC[n+]1c(oc2ccccc12)\C=C\c3cc(C)n(CC)c3C,"InChI=1/C19H23N2O.ClH/c1-5-20-14(3)13-16(15(20)4)11-12-19-21(6-2)17-9-7-8-10-18(17)22-19;/h7-13H,5-6H2,1-4H3;1H/q+1;/p-1",C19H23N2O.Cl,,,,,,JDXLARMHNZWEIS-UHFFFAOYSA-M,,,,,,,,,,,
100.057.865,263-672-6,62649-65-4,1-amino-4-[(1-methylethyl)amino]anthraquinone,"1-amino-4-(isopropylamino)-9,10-anthraquinone",CC(C)Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,CC(C)Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H16N2O2/c1-9(2)19-13-8-7-12(18)14-15(13)17(21)11-6-4-3-5-10(11)16(14)20/h3-9,19H,18H2,1-2H3",C17H16N2O2,,,,,,XESMZIWBJZMRDK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.868,263-675-2,62654-13-1,Lanthanum(3+) decanoate,lanthanum tridecanoate,[La+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[La+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/3C10H20O2.La/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3",C10H20O2.1/3La,,,,,,DGUXUKYGEXDTOW-UHFFFAOYSA-K,,,,,,,,,,,
100.057.874,263-682-0,62669-60-7,"5,9-bis(ethylamino)-10-methylbenzo[a]phenoxazin-7-ium perchlorate","5,9-bis(ethylamino)-10-methylbenzo[a]phenoxazin-7-ium perchlorate",CCNc1cc2[o+]c3cc(NCC)c4ccccc4c3nc2cc1C.[O-]Cl(=O)(=O)=O,CCNc1cc2[o+]c3cc(NCC)c4ccccc4c3nc2cc1C.[O-]Cl(=O)(=O)=O,"InChI=1/C21H22N3O.ClHO4/c1-4-22-16-11-19-18(10-13(16)3)24-21-15-9-7-6-8-14(15)17(23-5-2)12-20(21)25-19;2-1(3,4)5/h6-12,22-23H,4-5H2,1-3H3;(H,2,3,4,5)/q+1;/p-1",C21H22N3O.ClO4,,,,,,MMBVYZXBUHNKNO-UHFFFAOYSA-M,,,,,,,,,,,
100.051.717,256-907-9,51012-32-9,Tiapride,N-[2-(diethylamino)ethyl]-2-methoxy-5-(methylsulfonyl)benzamide,CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C,CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C,"InChI=1/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)",C15H24N2O4S,,,,,,JTVPZMFULRWINT-UHFFFAOYSA-N,Positive/Negative,EQ302801|EQ302802|EQ302803|EQ302804|EQ302805|EQ302806,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,329.1528:256.0637:74.0964|256.0637:329.1528:74.0964|256.0637:213.0215:212.0375|256.0637:213.0214:212.0376|213.0214:212.0375:133.0521|213.0214:133.0522:134.0361,Eawag,EQ302851|EQ302852|EQ302853|EQ302854|EQ302855|EQ302856,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,155.0173:185.0275:78.9859|155.0172:78.9859:63.9625|155.0173:78.9859:63.9624|155.0172:78.9859:63.9624|78.9859:63.9624:155.0172|78.9859:63.9624:155.0174,Eawag
100.051.725,256-916-8,51022-70-9,"Bis[(tert-butyl)(ß,3,4-trihydroxyphenethyl)ammonium] sulphate","bis{N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-2-methylpropan-2-aminium} sulfate",CC(C)(C)[NH2+]CC(O)c1ccc(O)c(O)c1.CC(C)(C)[NH2+]CC(O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-],CC(C)(C)[NH2+]CC(O)c1ccc(O)c(O)c1.CC(C)(C)[NH2+]CC(O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)",C13H21NO3.1/2H2O4S,,,,,,QJEWQPHCPCRSAP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.728,256-919-4,51023-76-8,Disodium 5-acetamido-2-[2-(4-isothiocyanato-2-sulphonatophenyl)vinyl]benzenesulphonate,disodium 5-acetamido-2-[2-(4-isothiocyanato-2-sulfonatophenyl)vinyl]benzenesulfonate,[Na+].[Na+].O=S([O-])(=O)c2cc(ccc2/C=C/c1ccc(/N=C=S)cc1S([O-])(=O)=O)NC(C)=O,[Na+].[Na+].O=S([O-])(=O)c2cc(ccc2/C=C/c1ccc(/N=C=S)cc1S([O-])(=O)=O)NC(C)=O,"InChI=1/C17H14N2O7S3.2Na/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23;;/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C17H14N2O7S3.2Na,,,,,,NPAWAMRXPHRVQY-WTVBWJGASA-L,,,,,,,,,,,
100.051.731,256-923-6,51030-47-8,Niobium pentabutanolate,-,[Nb+2].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],[Nb+2].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-],"InChI=1/5C4H9O.Nb/c5*1-2-3-4-5;/h5*2-4H2,1H3;/q5*-1;+2",C4H10O.1/5Nb,,,,,,LYFHBSIRUNWEIL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.735,256-927-8,51034-68-5,2'-azido-2'-deoxycytidine,2'-azido-2'-deoxycytidine,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2N=[N+]=[N-],NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2N=[N+]=[N-],"InChI=1/C9H12N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,16-17H,3H2,(H2,10,12,18)",C9H12N6O4,,,,,,FEOYKPQEERVCAV-RNMRRNDGSA-N,,,,,,,,,,,
100.051.736,256-928-3,51037-30-0,Acipimox,5-methylpyrazine-2-carboxylic acid 4-oxide,Cc1cnc(c[n+]1[O-])C(=O)O,Cc1cnc(c[n+]1[O-])C(=O)O,"InChI=1/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)",C6H6N2O3,,,,,,DJQOOSBJCLSSEY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.740,256-933-0,51040-26-7,Titanium octadecan-1-olate,titanium octadecan-1-olate,[Ti+2].[Ti+2].[Ti+2].[Ti+2].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],[Ti+2].[Ti+2].[Ti+2].[Ti+2].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],"InChI=1/8C10H21O.4Ti/c8*1-2-3-4-5-6-7-8-9-10-11;;;;/h8*2-10H2,1H3;;;;/q8*-1;4*+2",C18H38O.xTi,,,,,,NWBSOXGUGDIHDR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.746,256-939-3,51062-15-8,3-(p-methoxyphenyl)-1-methylpropylamine,4-(4-methoxyphenyl)butan-2-amine,COc1ccc(CCC(C)N)cc1,COc1ccc(CCC(C)N)cc1,"InChI=1/C11H17NO/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9H,3-4,12H2,1-2H3",C11H17NO,,,,,,JMHAKVPFYWWNOW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.876,258-182-4,52788-79-1,2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane,2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane,COCCOCCOC(C)(C)C,COCCOCCOC(C)(C)C,"InChI=1/C9H20O3/c1-9(2,3)12-8-7-11-6-5-10-4/h5-8H2,1-4H3",C9H20O3,,,,,,IVBLRSMVJDVLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.878,258-185-0,52789-62-5,"Sodium hydrogen 4-amino-5-hydroxynaphthalene-1,3-disulphonate","sodium hydrogen 4-amino-5-hydroxynaphthalene-1,3-disulfonate",[Na+].Nc1c(cc(c2cccc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1c(cc(c2cccc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.Na/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H9NO7S2.Na,,,,,,JOVLEOXYYWEEEW-UHFFFAOYSA-L,,,,,,,,,,,
100.048.694,253-583-0,37669-57-1,Arfendazam,"ethyl 7-chloro-4-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate",CCOC(=O)N1CCC(=O)N(c2ccccc2)c3cc(Cl)ccc13,CCOC(=O)N1CCC(=O)N(c2ccccc2)c3cc(Cl)ccc13,"InChI=1/C18H17ClN2O3/c1-2-24-18(23)20-11-10-17(22)21(14-6-4-3-5-7-14)16-12-13(19)8-9-15(16)20/h3-9,12H,2,10-11H2,1H3",C18H17ClN2O3,,,,,,NXJWVCHVPUCWJS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.700,253-589-3,37673-20-4,Hexadecyl 5-oxo-L-prolinate,hexadecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-21(24)19-16-17-20(23)22-19/h19H,2-18H2,1H3,(H,22,23)",C21H39NO3,,,,,,BJXKLGPZWDKIHU-IBGZPJMESA-N,,,,,,,,,,,
100.048.708,253-598-2,37673-30-6,1-ethyltetradecyl 5-oxo-L-prolinate,1-ethyltetradecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCC(CC)OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCC(CC)OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C21H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18(4-2)25-21(24)19-16-17-20(23)22-19/h18-19H,3-17H2,1-2H3,(H,22,23)",C21H39NO3,,,,,,GYCALDUKXYELNL-GGYWPGCISA-N,,,,,,,,,,,
100.048.709,253-599-8,37673-31-7,Heptadecyl 5-oxo-L-prolinate,heptadecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-22(25)20-17-18-21(24)23-20/h20H,2-19H2,1H3,(H,23,24)",C22H41NO3,,,,,,MUQMLVOIALCMNZ-FQEVSTJZSA-N,,,,,,,,,,,
100.054.220,259-662-6,55482-31-0,"Barium 8-hydroxy-5,7-dinitronaphthalene-2-sulphonate (1:1)",-,[Ba].Oc1c(cc(c2ccc(cc12)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[Ba].Oc1c(cc(c2ccc(cc12)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H6N2O8S.Ba/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;/h1-4,13H,(H,18,19,20);/q;+2/p-1",C10H6N2O8S.Ba,,,,,,QGJLXHHZKSHCOW-UHFFFAOYSA-M,,,,,,,,,,,
100.053.717,259-108-3,54333-94-7,(6R-cis)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)O)CO,CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)O)CO,"InChI=1/C15H16N2O6S2/c1-23-15(16-10(19)5-9-3-2-4-24-9)13(22)17-11(12(20)21)8(6-18)7-25-14(15)17/h2-4,14,18H,5-7H2,1H3,(H,16,19)(H,20,21)",C15H16N2O6S2,,,,,,ZTFUMAYWSRFLRO-LSDHHAIUSA-N,,,,,,,,,,,
100.053.722,259-114-6,54340-90-8,1-(1-methoxyethoxy)hexane,1-(1-methoxyethoxy)hexane,CCCCCCOC(C)OC,CCCCCCOC(C)OC,"InChI=1/C9H20O2/c1-4-5-6-7-8-11-9(2)10-3/h9H,4-8H2,1-3H3",C9H20O2,,,,,,COARODKCNGNOQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.725,259-117-2,54344-92-2,"2,3,6-trimethyl-p-anisaldehyde","4-methoxy-2,3,6-trimethylbenzaldehyde",COc1cc(C)c(C=O)c(C)c1C,COc1cc(C)c(C=O)c(C)c1C,"InChI=1/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3",C11H14O2,,,,,,BTOFIDLWQJCUJG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.727,259-119-3,54350-48-0,Etretinate,"ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate",Cc1c(C)c(c(C)cc1OC)\\C=C\\C(\\C)=C\\C=C\\C(\\C)=C\\C(=O)OCC,Cc1c(C)c(c(C)cc1OC)\C=C\C(\C)=C\C=C\C(\C)=C\C(=O)OCC,"InChI=1/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3",C23H30O3,,,,,,HQMNCQVAMBCHCO-DJRRULDNSA-N,,,,,,,,,,,
100.053.729,259-121-4,54362-72-0,Methyl 2-[4-[(2-methylallyl)amino]phenyl]propionate,methyl 2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propanoate,COC(=O)C(C)c1ccc(NCC(=C)C)cc1,COC(=O)C(C)c1ccc(NCC(=C)C)cc1,"InChI=1/C14H19NO2/c1-10(2)9-15-13-7-5-12(6-8-13)11(3)14(16)17-4/h5-8,11,15H,1,9H2,2-4H3",C14H19NO2,,,,,,ZYZOATXKGVZVGM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.734,259-127-7,54364-62-4,"(7E,9Z)-dodecadienyl acetate","dodeca-1,3-dien-1-yl acetate",CC(=O)OC=CC=CCCCCCCCC,CC(=O)OC=CC=CCCCCCCCC,"InChI=1/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-13H,3-9H2,1-2H3",C14H24O2,,,,,,ODKORGDBKBYLSR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.738,259-131-9,54380-67-5,3-(2-aminoethoxy)propylamine,3-(2-aminoethoxy)propan-1-amine,NCCCOCCN,NCCCOCCN,InChI=1/C5H14N2O/c6-2-1-4-8-5-3-7/h1-7H2,C5H14N2O,,,,,,XZXVQFFGZKQTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.739,259-132-4,54381-08-7,p-[(o-nitrophenyl)amino]phenol,4-[(2-nitrophenyl)amino]phenol,Oc1ccc(Nc2ccccc2[N+](=O)[O-])cc1,Oc1ccc(Nc2ccccc2[N+](=O)[O-])cc1,"InChI=1/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H",C12H10N2O3,,,,,,HSDSBIUUVWRHTM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.748,259-142-9,54393-89-4,2-nitro-4-(propylthio)aniline,2-nitro-4-(propylsulfanyl)aniline,CCCSc1ccc(N)c(c1)[N+](=O)[O-],CCCSc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C9H12N2O2S/c1-2-5-14-7-3-4-8(10)9(6-7)11(12)13/h3-4,6H,2,5,10H2,1H3",C9H12N2O2S,,,,,,LFZBJSIIHWNZAW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.749,259-143-4,54395-52-7,"4,4'-[(isopropylidene)bis(p-phenyleneoxy)]bis[N-methylphthalimide]","5,5'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(2-methyl-1H-isoindole-1,3(2H)-dione)",CN1C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)c4ccc(Oc5ccc6C(=O)N(C)C(=O)c6c5)cc4)cc2C1=O,CN1C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)c4ccc(Oc5ccc6C(=O)N(C)C(=O)c6c5)cc4)cc2C1=O,"InChI=1/C33H26N2O6/c1-33(2,19-5-9-21(10-6-19)40-23-13-15-25-27(17-23)31(38)34(3)29(25)36)20-7-11-22(12-8-20)41-24-14-16-26-28(18-24)32(39)35(4)30(26)37/h5-18H,1-4H3",C33H26N2O6,,,,,,QXYUOZCGMWHVJB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.003,252-818-4,35964-48-8,Bis(4-chloro-3-nitrophenyl) disulphide,"1,1'-disulfanediylbis(4-chloro-3-nitrobenzene)",[O-][N+](=O)c1cc(SSc2ccc(Cl)c(c2)[N+](=O)[O-])ccc1Cl,[O-][N+](=O)c1cc(SSc2ccc(Cl)c(c2)[N+](=O)[O-])ccc1Cl,InChI=1/C12H6Cl2N2O4S2/c13-9-3-1-7(5-11(9)15(17)18)21-22-8-2-4-10(14)12(6-8)16(19)20/h1-6H,C12H6Cl2N2O4S2,,,,,,ULMDSBDEJOBOLB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.004,252-820-5,35967-24-9,"3,4,5-trimethoxyphenyl isothiocyanate","5-isothiocyanato-1,2,3-trimethoxybenzene",COc1c(cc(cc1OC)\\N=C=S)OC,COc1c(cc(cc1OC)\N=C=S)OC,"InChI=1/C10H11NO3S/c1-12-8-4-7(11-6-15)5-9(13-2)10(8)14-3/h4-5H,1-3H3",C10H11NO3S,,,,,,AFWKAIYTSPWWCA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.006,252-822-6,35975-00-9,6-nitroquinolin-5-ylamine,6-nitroquinolin-5-amine,Nc1c(ccc2ncccc12)[N+](=O)[O-],Nc1c(ccc2ncccc12)[N+](=O)[O-],"InChI=1/C9H7N3O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H,10H2",C9H7N3O2,,,,,,TYBYHEXFKFLRFT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.007,252-823-1,35976-46-6,"5-methoxy-1,3,3-trimethyl-2-methyleneindoline","5-methoxy-1,3,3-trimethyl-2-methyleneindoline",COc1ccc2N(C)C(=C)C(C)(C)c2c1,COc1ccc2N(C)C(=C)C(C)(C)c2c1,"InChI=1/C13H17NO/c1-9-13(2,3)11-8-10(15-5)6-7-12(11)14(9)4/h6-8H,1H2,2-5H3",C13H17NO,,,,,,BGXWEEHVMWADRH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.548,258-922-6,54010-75-2,Zinc trifluoromethanesulphonate,zinc bis(trifluoromethanesulfonate),[Zn+2].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F,[Zn+2].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F,"InChI=1/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",CHF3O3S.1/2Zn,,,,,,CITILBVTAYEWKR-UHFFFAOYSA-L,,,,,,,,,,,
100.051.665,256-851-5,50925-42-3,"Tetrasodium 3,3'-[[6-[(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl]bis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate","tetrasodium 3,3'-({6-[(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl}bis[imino(2-methyl-4,1-phenylene)diazene-2,1-diyl])dinaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cccc1c7cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2C)Nc3nc(nc(NCCO)n3)Nc6cc(C)c(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cccc1c7cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2C)Nc3nc(nc(NCCO)n3)Nc6cc(C)c(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6,"InChI=1/C39H34N10O13S4.4Na/c1-21-15-23(9-11-31(21)48-46-25-17-29-27(35(19-25)65(57,58)59)5-3-7-33(29)63(51,52)53)41-38-43-37(40-13-14-50)44-39(45-38)42-24-10-12-32(22(2)16-24)49-47-26-18-30-28(36(20-26)66(60,61)62)6-4-8-34(30)64(54,55)56;;;;/h3-12,15-20,50H,13-14H2,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,40,41,42,43,44,45);;;;/q;4*+1/p-4",C39H34N10O13S4.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17517,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.665,YYRIJHSNZXZKJD-UHFFFAOYSA-J,,,,,,,,,,,
100.051.669,256-855-7,50930-44-4,"3-(isopropyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, compound with dimethylamine (1:1)","3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide - N-methylmethanamine (1:1)",CNC.CC(C)N1C(=O)c2ccccc2NS1(=O)=O,CNC.CC(C)N1C(=O)c2ccccc2NS1(=O)=O,"InChI=1/C10H12N2O3S.C2H7N/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;1-3-2/h3-7,11H,1-2H3;3H,1-2H3",C10H12N2O3S.C2H7N,,,,,,MYSPVTCSNUEPHX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.671,256-857-8,50933-33-0,"Hexadeca-7,11-dienyl acetate","hexadeca-7,11-dien-1-yl acetate",CC(=O)OCCCCCCC=CCCC=CCCCC,CC(=O)OCCCCCCC=CCCC=CCCCC,"InChI=1/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3",C18H32O2,,,,,,BXJHOKLLMOYSRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.679,256-866-7,50963-62-7,"N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-[ethyl(phenylmethyl)amino]phenyl]acetamide","N-{5-[benzyl(ethyl)amino]-2-[(2-cyano-4,6-dinitrophenyl)diazenyl]phenyl}acetamide",[O-][N+](=O)c3cc(cc(C#N)c3N=Nc1ccc(cc1NC(C)=O)N(Cc2ccccc2)CC)[N+]([O-])=O,[O-][N+](=O)c3cc(cc(C#N)c3N=Nc1ccc(cc1NC(C)=O)N(Cc2ccccc2)CC)[N+]([O-])=O,"InChI=1/C24H21N7O5/c1-3-29(15-17-7-5-4-6-8-17)19-9-10-21(22(12-19)26-16(2)32)27-28-24-18(14-25)11-20(30(33)34)13-23(24)31(35)36/h4-13H,3,15H2,1-2H3,(H,26,32)",C24H21N7O5,,,,,,HLEPAQNRQXSUEC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.684,256-871-4,50975-38-7,"3,3'-[1,2-ethanediylbis(oxy)]bis[2-methylpropene]","3,3'-[ethane-1,2-diylbis(oxy)]bis(2-methylprop-1-ene)",CC(=C)COCCOCC(=C)C,CC(=C)COCCOCC(=C)C,"InChI=1/C10H18O2/c1-9(2)7-11-5-6-12-8-10(3)4/h1,3,5-8H2,2,4H3",C10H18O2,,,,,,XTGIWPVOMMMMJV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.687,256-875-6,50976-17-5,"N,N-dimethyl(vinylbenzyl)amine","N,N-dimethyl-1-(2-vinylphenyl)methanamine",CN(C)Cc1ccccc1C=C,CN(C)Cc1ccccc1C=C,"InChI=1/C11H15N/c1-4-10-7-5-6-8-11(10)9-12(2)3/h4-8H,1,9H2,2-3H3",C11H15N,,,,,,YVLKCQAGVDGTRH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.691,256-879-8,50976-35-7,"Sodium 6-aminonaphthalene-1,3-disulphonate","disodium 6-aminonaphthalene-1,3-disulfonate",[Na+].[Na+].Nc1ccc2c(cc(cc2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc2c(cc(cc2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.2Na/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H9NO6S2.2Na,,,,,,YKOUFOHKVHDKRS-UHFFFAOYSA-L,,,,,,,,,,,
100.051.693,256-881-9,50977-10-1,3-(isotridecyloxy)propylamine,3-[(11-methyldodecyl)oxy]propan-1-amine,CC(C)CCCCCCCCCCOCCCN,CC(C)CCCCCCCCCCOCCCN,"InChI=1/C16H35NO/c1-16(2)12-9-7-5-3-4-6-8-10-14-18-15-11-13-17/h16H,3-15,17H2,1-2H3",C16H35NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12334,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.693,CUFBDUDYFHCIOH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.694,256-882-4,50977-11-2,Isotridecyl dihydrogen phosphate,11-methyldodecyl dihydrogen phosphate,CC(C)CCCCCCCCCCOP(=O)(O)O,CC(C)CCCCCCCCCCOP(=O)(O)O,"InChI=1/C13H29O4P/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-18(14,15)16/h13H,3-12H2,1-2H3,(H2,14,15,16)",C13H29O4P,,,,,,ASBWGYODEQCTNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.704,256-893-4,50984-88-8,"3,3-bis(4-hydroxy-2,5-xylyl)phthalide","3,3-bis(4-hydroxy-2,5-dimethylphenyl)-2-benzofuran-1(3H)-one",Cc1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C)c(O)cc4C,Cc1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C)c(O)cc4C,"InChI=1/C24H22O4/c1-13-11-21(25)15(3)9-19(13)24(20-10-16(4)22(26)12-14(20)2)18-8-6-5-7-17(18)23(27)28-24/h5-12,25-26H,1-4H3",C24H22O4,,,,,,PXCIPOXPHMTCIL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.706,256-896-0,50988-01-7,"N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)acetamide","N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)acetamide",CC(=O)Nc1cccc2c3nsc4cccc(C(=O)c12)c34,CC(=O)Nc1cccc2c3nsc4cccc(C(=O)c12)c34,"InChI=1/C16H10N2O2S/c1-8(19)17-11-6-2-4-9-13(11)16(20)10-5-3-7-12-14(10)15(9)18-21-12/h2-7H,1H3,(H,17,19)",C16H10N2O2S,,,,,,JNJWDMRFGGSELJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.707,256-897-6,50988-02-8,"N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)propionamide","N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)propanamide",CCC(=O)Nc1cccc2c3nsc4cccc(C(=O)c12)c34,CCC(=O)Nc1cccc2c3nsc4cccc(C(=O)c12)c34,"InChI=1/C17H12N2O2S/c1-2-13(20)18-11-7-3-5-9-14(11)17(21)10-6-4-8-12-15(10)16(9)19-22-12/h3-8H,2H2,1H3,(H,18,20)",C17H12N2O2S,,,,,,AMXYNQQEZKMKJU-UHFFFAOYSA-N,,,,,,,,,,,
100.059.501,265-470-3,65121-93-9,"[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium tetrachlorozincate","bis[N-(4-{bis[4-(diethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium] tetrachlorozincate(2-)",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC.CCN(CC)c4ccc(cc4)C(=C5C=CC(=[N+](CC)CC)C=C5)c6ccc(cc6)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC.CCN(CC)c4ccc(cc4)C(=C5C=CC(=[N+](CC)CC)C=C5)c6ccc(cc6)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C31H42N3.4ClH.Zn/c2*1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;;;;;/h2*13-24H,7-12H2,1-6H3;4*1H;/q2*+1;;;;;+2/p-4/r2C31H42N3.Cl4Zn/c2*1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-5(2,3)4/h2*13-24H,7-12H2,1-6H3;/q2*+1;-2",C31H42N3.1/2Cl4Zn,,,,,,XUWDIINZFOKJSR-UHFFFAOYSA-J,,,,,,,,,,,
100.059.508,265-478-7,65122-07-8,"2-[[(4-ethoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium chloride","2-[(4-ethoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CCOc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[Cl-].CCOc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C21H25N3O.ClH/c1-5-25-17-12-10-16(11-13-17)14-22-23-15-20-21(2,3)18-8-6-7-9-19(18)24(20)4;/h6-13,15H,5,14H2,1-4H3;1H",C21H26N3O.Cl,,,,,,DRRLFORPUOLSPC-UHFFFAOYSA-N,,,,,,,,,,,
100.059.512,265-482-9,65122-23-8,Cyclohexyldimethylammonium oleate,"N,N-dimethylcyclohexanaminium octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].C[NH+](C)C1CCCCC1,CCCCCCCC\C=C/CCCCCCCC(=O)[O-].C[NH+](C)C1CCCCC1,"InChI=1/C18H34O2.C8H17N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9(2)8-6-4-3-5-7-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);8H,3-7H2,1-2H3",C18H34O2.C8H17N,,,,,,XGBJXPXIFLEYFH-KVVVOXFISA-N,,,,,,,,,,,
100.061.524,267-697-3,67906-28-9,"Ethyl 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate","ethyl 6-[(4-chlorophenyl)amino]-4-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate",CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Nc5ccc(Cl)cc5)cc(C)c(NC1=O)c24,CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Nc5ccc(Cl)cc5)cc(C)c(NC1=O)c24,"InChI=1/C26H19ClN2O4/c1-3-33-26(32)22-19-16-6-4-5-7-17(16)24(30)20-18(28-15-10-8-14(27)9-11-15)12-13(2)23(21(19)20)29-25(22)31/h4-12,28H,3H2,1-2H3,(H,29,31)",C26H19ClN2O4,,,,,,PNTKMGYQLRLHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.061.540,267-714-4,67906-47-2,Trisodium 5-[[4-[(4-acetamidophenyl)azo]-6-sulphonatonaphthyl]azo]-8-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,trisodium 5-{[4-({4-[(4-acetamidophenyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}-6-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)c6ccc(cc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)c6ccc(cc67)S([O-])(=O)=O,"InChI=1/C38H27N7O11S3.3Na/c1-21(46)39-23-3-5-24(6-4-23)40-41-35-15-13-33(29-11-8-26(19-31(29)35)58(51,52)53)42-43-34-14-16-36(32-20-27(59(54,55)56)9-12-30(32)34)44-45-38-28-10-7-25(57(48,49)50)18-22(28)2-17-37(38)47;;;/h2-20,47H,1H3,(H,39,46)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C38H27N7O11S3.3Na,,,,,,CKFCGVDZRCTWEF-UHFFFAOYSA-K,,,,,,,,,,,
100.061.541,267-716-5,67906-48-3,Trisodium 8-[[4-[(4-acetamidophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,trisodium 5-{[4-({4-[(4-acetamidophenyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}-6-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6ccc(cc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6ccc(cc67)S([O-])(=O)=O,"InChI=1/C38H27N7O11S3.3Na/c1-21(46)39-23-3-5-24(6-4-23)40-41-35-15-13-33(29-11-8-26(19-31(29)35)58(51,52)53)42-43-36-16-14-34(30-12-9-27(20-32(30)36)59(54,55)56)44-45-38-28-10-7-25(57(48,49)50)18-22(28)2-17-37(38)47;;;/h2-20,47H,1H3,(H,39,46)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C38H27N7O11S3.3Na,,,,,,FELDPJRAMKFJEH-UHFFFAOYSA-K,,,,,,,,,,,
100.061.543,267-718-6,67906-50-7,Disodium 5-[(4-acetamidophenyl)azo]-8-[(4-amino-7-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,disodium 5-[(4-acetamidophenyl)diazenyl]-8-[(4-amino-7-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cc5c(cc1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(C)=O)c3ccc(cc34)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc5c(cc1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(C)=O)c3ccc(cc34)S([O-])(=O)=O,"InChI=1/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-26-12-13-28(24-15-20(43(39,40)41)7-9-22(24)26)34-33-27-11-10-25(29)21-8-6-19(14-23(21)27)42(36,37)38;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C28H22N6O7S2.2Na,,,,,,HIUVZIHAVBCZMK-UHFFFAOYSA-L,,,,,,,,,,,
100.061.544,267-719-1,67906-51-8,Disodium 8-[(4-acetamidophenyl)azo]-5-[(4-amino-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,disodium 8-[(4-acetamidophenyl)diazenyl]-5-[(4-amino-6-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc5c(c1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(C)=O)c3cc(ccc34)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc5c(c1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(C)=O)c3cc(ccc34)S([O-])(=O)=O,"InChI=1/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-28-13-12-27(22-9-7-20(15-24(22)28)43(39,40)41)34-33-26-11-10-25(29)23-14-19(42(36,37)38)6-8-21(23)26;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C28H22N6O7S2.2Na,,,,,,UGMFAJDJOJGUHE-UHFFFAOYSA-L,,,,,,,,,,,
100.048.718,253-609-0,37673-41-9,Hexacosyl 5-oxo-L-prolinate,hexacosyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C31H59NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-35-31(34)29-26-27-30(33)32-29/h29H,2-28H2,1H3,(H,32,33)",C31H59NO3,,,,,,ICAHUYHJMWQWCZ-LJAQVGFWSA-N,,,,,,,,,,,
100.048.720,253-611-1,37674-72-9,6-chlorochroman-4-one,"6-chloro-2,3-dihydro-4H-chromen-4-one",Clc1ccc2OCCC(=O)c2c1,Clc1ccc2OCCC(=O)c2c1,"InChI=1/C9H7ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2",C9H7ClO2,,,,,,LLTDYHFVIVSQPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.727,253-619-5,37677-17-1,1-(bromomethyl)cyclohexene,1-(bromomethyl)cyclohexene,BrCC1=CCCCC1,BrCC1=CCCCC1,"InChI=1/C7H11Br/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2",C7H11Br,,,,,,PDKVWCYJNKLAGE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.738,253-631-0,37691-11-5,N2-[[(1-carboxyphenethyl)amino]carbonyl]-L-arginyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-L-valinamide,"N~2~-{[2-(1-carboxycyclohexa-2,4-dien-1-yl)ethyl]carbamoyl}-L-arginyl-N-(4-carbamimidamido-1-formylbutyl)-L-valinamide",O=C(O)C1(CCNC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(=O)NC(C=O)CCCNC(N)=N)C(C)C)/C=C\\C=C/C1,O=C(O)C1(CCNC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(=O)NC(C=O)CCCNC(N)=N)C(C)C)/C=C\C=C/C1,"InChI=1/C27H46N10O6/c1-17(2)20(22(40)35-18(16-38)8-6-13-32-24(28)29)37-21(39)19(9-7-14-33-25(30)31)36-26(43)34-15-12-27(23(41)42)10-4-3-5-11-27/h3-5,10,16-20H,6-9,11-15H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,34,36,43)",C27H44N10O6,,,,,,GKPZSJWKEUGUTJ-BBOVISDGSA-N,,,,,,,,,,,
100.052.001,257-220-7,51461-22-4,"6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione","6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione",Cc1n[nH]c(C)c1N2C(=O)c3cccc4c(Br)ccc(C2=O)c34,Cc1n[nH]c(C)c1N2C(=O)c3cccc4c(Br)ccc(C2=O)c34,"InChI=1/C17H12BrN3O2/c1-8-15(9(2)20-19-8)21-16(22)11-5-3-4-10-13(18)7-6-12(14(10)11)17(21)23/h3-7H,1-2H3,(H,19,20)",C17H12BrN3O2,,,,,,UKRUVKDTLCRXNL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.004,257-223-3,51471-26-2,"Dimethyl 5,5'-[(2-hydroxytrimethylene)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate]","dimethyl 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)",COC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OC)cccc2O1,COC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OC)cccc2O1,"InChI=1/C25H20O11/c1-31-24(29)20-9-14(27)22-16(5-3-7-18(22)35-20)33-11-13(26)12-34-17-6-4-8-19-23(17)15(28)10-21(36-19)25(30)32-2/h3-10,13,26H,11-12H2,1-2H3",C25H20O11,,,,,,CWSPEOULHKLNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.008,257-228-0,51473-76-8,"Tetrasodium 4-amino-3-[[4-[2-[4-[(2,4-diaminophenyl)azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","tetrasodium 4-amino-3-{[4-(2-{4-[(2,4-diaminophenyl)diazenyl]-2-sulfonatophenyl}vinyl)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc6ccc(N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c(N)c6,[Na+].[Na+].[Na+].[Na+].Nc6ccc(N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c(N)c6,"InChI=1/C36H29N9O13S4.4Na/c37-22-10-13-27(26(38)16-22)43-41-24-11-8-19(28(17-24)59(47,48)49)6-7-20-9-12-25(18-29(20)60(50,51)52)42-44-34-30(61(53,54)55)14-21-15-31(62(56,57)58)35(36(46)32(21)33(34)39)45-40-23-4-2-1-3-5-23;;;;/h1-18,46H,37-39H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4",C36H29N9O13S4.4Na,,,,,,JYQNXBHNMUPSEV-RKDSPHTMSA-J,,,,,,,,,,,
100.052.013,257-233-8,51481-65-3,Mezlocillin,"3,3-dimethyl-6-{[({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)(phenyl)acetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(=O)(=O)C)c4ccccc4)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(=O)(=O)C)c4ccccc4)C(=O)N2[C@H]1C(=O)O,"InChI=1/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)",C21H25N5O8S2,,,,,,YPBATNHYBCGSSN-VWPFQQQWSA-N,,,,,,,,,,,
100.052.020,257-241-1,51493-67-5,"7-(diethylamino)-1',4'-dihydro-1',4'-dimethylspiro[2H-1-benzopyran-2,2'(3'H)-quinoxalin]-3'-one","7-(diethylamino)-1',4'-dimethyl-1',4'-dihydro-3'H-spiro[chromene-2,2'-quinoxalin]-3'-one",CCN(CC)c1ccc2C=CC3(Oc2c1)N(C)c4ccccc4N(C)C3=O,CCN(CC)c1ccc2C=CC3(Oc2c1)N(C)c4ccccc4N(C)C3=O,"InChI=1/C22H25N3O2/c1-5-25(6-2)17-12-11-16-13-14-22(27-20(16)15-17)21(26)23(3)18-9-7-8-10-19(18)24(22)4/h7-15H,5-6H2,1-4H3",C22H25N3O2,,,,,,ZXYGXVPPZLKHDH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.023,257-244-8,51501-27-0,N-1H-indol-7-ylhexadecane-1-sulphonamide,N-1H-indol-7-ylhexadecane-1-sulfonamide,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc2cc[nH]c12,CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc2cc[nH]c12,"InChI=1/C24H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29(27,28)26-23-18-16-17-22-19-20-25-24(22)23/h16-20,25-26H,2-15,21H2,1H3",C24H40N2O2S,,,,,,HLHGMCHARQAMND-UHFFFAOYSA-N,,,,,,,,,,,
100.052.033,257-255-8,51528-37-1,Ethylmethylphosphinic anhydride,"1,3-diethyl-1,3-dimethyldiphosphoxane 1,3-dioxide",CCP(=O)(C)OP(=O)(C)CC,CCP(=O)(C)OP(=O)(C)CC,"InChI=1/C6H16O3P2/c1-5-10(3,7)9-11(4,8)6-2/h5-6H2,1-4H3",C6H16O3P2,,,,,,LLUBVCCZUMPBMI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.008,252-824-7,35976-48-8,"2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenylethan-1-one","2-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)-1-phenylethanone",CCN4c2c(ccc1ccccc12)SC4=CC(=O)c3ccccc3,CCN4c2c(ccc1ccccc12)SC4=CC(=O)c3ccccc3,"InChI=1/C21H17NOS/c1-2-22-20(14-18(23)16-9-4-3-5-10-16)24-19-13-12-15-8-6-7-11-17(15)21(19)22/h3-14H,2H2,1H3",C21H17NOS,,,,,,GQYDZBRCPSLDOG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.010,252-826-8,35996-97-5,Butyl pentadecanoate,butyl pentadecanoate,CCCCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C19H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-6-4-2/h3-18H2,1-2H3",C19H38O2,,,,,,KRMLKIYWYMUWHP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.675,252-458-8,35241-54-4,"1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one","1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one",COc1ccc(CCC(=O)c2c(O)cc(OC)cc2O)cc1,COc1ccc(CCC(=O)c2c(O)cc(OC)cc2O)cc1,"InChI=1/C17H18O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-4,6-7,9-10,19-20H,5,8H2,1-2H3",C17H18O5,,,,,,VVDZZNWYISOIDK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.677,252-460-9,35242-80-9,3-phenyl-N-[1-[[[4-(phenylazo)phenyl]methoxy]carbonyl]-L-prolyl]-L-alanine,1-({[4-(phenyldiazenyl)benzyl]oxy}carbonyl)-L-prolyl-L-phenylalanine,O=C(N[C@@H](Cc1ccccc1)C(O)=O)[C@@H]4CCCN4C(=O)OCc3ccc(N=Nc2ccccc2)cc3,O=C(N[C@@H](Cc1ccccc1)C(O)=O)[C@@H]4CCCN4C(=O)OCc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C28H28N4O5/c33-26(29-24(27(34)35)18-20-8-3-1-4-9-20)25-12-7-17-32(25)28(36)37-19-21-13-15-23(16-14-21)31-30-22-10-5-2-6-11-22/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,29,33)(H,34,35)",C28H28N4O5,,,,,,LDODGHZAJZROFE-DQEYMECFSA-N,,,,,,,,,,,
100.047.681,252-465-6,35253-75-9,N2-[N-[N-[1-[[[4-(phenylazo)phenyl]methoxy]carbonyl]-L-prolyl]-L-phenylalanyl]glycyl]-D-arginine,1-({[4-(phenyldiazenyl)benzyl]oxy}carbonyl)-L-prolylphenylalanylglycyl-D-arginine,O=C(N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(O)=O)[C@@H]4CCCN4C(=O)OCc3ccc(N=Nc2ccccc2)cc3,O=C(N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(O)=O)[C@@H]4CCCN4C(=O)OCc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C36H43N9O7/c37-35(38)39-19-7-13-28(34(49)50)41-31(46)22-40-32(47)29(21-24-9-3-1-4-10-24)42-33(48)30-14-8-20-45(30)36(51)52-23-25-15-17-27(18-16-25)44-43-26-11-5-2-6-12-26/h1-6,9-12,15-18,28-30H,7-8,13-14,19-23H2,(H,40,47)(H,41,46)(H,42,48)(H,49,50)(H4,37,38,39)",C36H43N9O7,,,,,,XGSIHMYTSNNUNE-NGDRWEMDSA-N,,,,,,,,,,,
100.047.686,252-470-3,35256-85-0,"N-benzyl-N-isopropyl-2,2-dimethylpropionamide","N-benzyl-N-isopropyl-2,2-dimethylpropanamide",CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C,CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C,"InChI=1/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3",C15H23NO,,,,,,RJKCKKDSSSRYCB-UHFFFAOYSA-N,Positive,EA025501|EA025502|EA025503|EA025504|EA025505|EA025506|EA025507|EA025508|EA025509|EA025510|EA025511|EA025512|EA025513|EA025514,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,91.0543:192.1384:142.1227|234.1855:91.0538:142.1225|234.1854:91.0543:192.1385|91.0543:234.1857:192.1383|91.0543:57.0698:192.1385|91.0543:57.0698:105.0699|91.0543:65.0386:57.0699|234.1854:91.0538:57.0697|234.1854:91.0543:192.1384|91.0543:234.1851:192.1383|91.0543:192.1383:57.0698|91.0543:57.0698:133.1012|91.0543:65.0386:57.0698|91.0543:192.1384:142.1227,Eawag,,,,,
100.047.693,252-478-7,35274-05-6,Hexadecyl lactate,hexadecyl 2-hydroxypropanoate,CCCCCCCCCCCCCCCCOC(=O)C(C)O,CCCCCCCCCCCCCCCCOC(=O)C(C)O,"InChI=1/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20/h18,20H,3-17H2,1-2H3",C19H38O3,,,,,,WUKXMJCZWYUIRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.695,252-480-8,35275-62-8,1-chloroindan,1-chloroindane,ClC1CCc2ccccc12,ClC1CCc2ccccc12,"InChI=1/C9H9Cl/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2",C9H9Cl,,,,,,WLJXUWKOEVKMGD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.697,252-482-9,35278-77-4,"3,7-dimethyl-2,6-octadienylamine","3,7-dimethylocta-2,6-dien-1-amine",C\\C(C)=C\\CCC(C)=CCN,C\C(C)=C\CCC(C)=CCN,"InChI=1/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8,11H2,1-3H3",C10H19N,,,,,,AFMZGMJNKXOLEM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.701,252-487-6,35285-68-8,Sodium 4-ethoxycarbonylphenoxide,sodium 4-(ethoxycarbonyl)phenolate,CCOC(=O)c1ccc(O[Na])cc1,CCOC(=O)c1ccc(O[Na])cc1,"InChI=1/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;/q;+1/p-1",C9H10O3.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16994,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.701,QYNMSPKSYXPZHG-UHFFFAOYSA-M,,,,,,,,,,,
100.047.709,252-496-5,35295-35-3,"m-(1,1,2,2-tetrafluoroethoxy)benzaldehyde","3-(1,1,2,2-tetrafluoroethoxy)benzaldehyde",FC(F)C(F)(F)Oc1cccc(C=O)c1,FC(F)C(F)(F)Oc1cccc(C=O)c1,"InChI=1/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-5,8H",C9H6F4O2,,,,,,LAFOZKQZOGJYKC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.714,252-501-0,35303-76-5,4-(2-aminoethyl)benzenesulphonamide,4-(2-aminoethyl)benzenesulfonamide,NCCc1ccc(cc1)S(=O)(=O)N,NCCc1ccc(cc1)S(=O)(=O)N,"InChI=1/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)",C8H12N2O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13666,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.714,FXNSVEQMUYPYJS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.715,252-502-6,35304-86-0,(Z)-5-benzylidenefuran-2(5H)-one,5-benzylidenefuran-2(5H)-one,O=C1O\\C(=C/c2ccccc2)\\C=C1,O=C1O\C(=C/c2ccccc2)\C=C1,InChI=1/C11H8O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-8H,C11H8O2,,,,,,DMWDECPSZZVGPO-NTMALXAHSA-N,,,,,,,,,,,
100.047.716,252-503-1,35304-87-1,(E)-5-(phenylmethylene)furan-2(5H)-one,5-benzylidenefuran-2(5H)-one,O=C1O\\C(=C\\c2ccccc2)\\C=C1,O=C1O\C(=C\c2ccccc2)\C=C1,InChI=1/C11H8O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-8H,C11H8O2,,,,,,DMWDECPSZZVGPO-CSKARUKUSA-N,,,,,,,,,,,
100.049.859,254-864-0,40263-57-8,2-iodopyridin-3-ol,2-iodopyridin-3-ol,Oc1cccnc1I,Oc1cccnc1I,"InChI=1/C5H4INO/c6-5-4(8)2-1-3-7-5/h1-3,8H",C5H4INO,,,,,,HJBGMPCMSWJZNH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.651,253-535-9,37515-76-7,"Tetrasodium 4,4'-bis[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-cyanoethyl)(2-hydroxyethyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].OCCN(CCC#N)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CCO)CCC#N)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].OCCN(CCC#N)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CCO)CCC#N)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C42H42N14O14S4.4Na/c43-17-1-19-55(21-23-57)41-51-37(45-29-9-13-33(14-10-29)71(59,60)61)49-39(53-41)47-31-7-5-27(35(25-31)73(65,66)67)3-4-28-6-8-32(26-36(28)74(68,69)70)48-40-50-38(46-30-11-15-34(16-12-30)72(62,63)64)52-42(54-40)56(22-24-58)20-2-18-44;;;;/h3-16,25-26,57-58H,1-2,19-24H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4",C42H42N14O14S4.4Na,,,,,,HAMURXQOURMAQS-PLJHVDPMSA-J,,,,,,,,,,,
100.048.652,253-536-4,37517-26-3,2-[1-[3-[2-[(dimethylamino)sulphonyl]-10H-phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl palmitate,2-(1-{3-[2-(dimethylsulfamoyl)-10H-phenothiazin-10-yl]propyl}piperidin-4-yl)ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)S(=O)(=O)N(C)C)CC1,CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)S(=O)(=O)N(C)C)CC1,"InChI=1/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3",C40H63N3O4S2,,,,,,KTOYYUONFQWSMW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.654,253-539-0,37517-30-9,Acebutolol,N-{3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}butanamide,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C,"InChI=1/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)",C18H28N2O4,,,,,,GOEMGAFJFRBGGG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.656,253-541-1,37520-45-9,"(S)-3-(2-piperidyl)pyridine, compound with picric acid (1:2)","2,4,6-trinitrophenol - 3-piperidin-2-ylpyridine (2:1)",Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C3CC[C@H](NC3)c4cccnc4,Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C3CC[C@H](NC3)c4cccnc4,"InChI=1/C10H14N2.2C6H3N3O7/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,6,8,10,12H,1-2,5,7H2;2*1-2,10H",C10H14N2.2C6H3N3O7,,,,,,LGSNICSTZFWAOZ-XRIOVQLTSA-N,,,,,,,,,,,
100.048.660,253-545-3,37526-89-9,Benzyl 3-methyl-2-butenoate,benzyl 3-methylbut-2-enoate,CC(=CC(=O)OCc1ccccc1)C,CC(=CC(=O)OCc1ccccc1)C,"InChI=1/C12H14O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3",C12H14O2,,,,,,WRUBNJSGJHOHJF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.664,253-550-0,37551-43-2,"5-chloro-N,2-dihydroxybenzamide","5-chloro-N,2-dihydroxybenzamide",ONC(=O)c1cc(Cl)ccc1O,ONC(=O)c1cc(Cl)ccc1O,"InChI=1/C7H6ClNO3/c8-4-1-2-6(10)5(3-4)7(11)9-12/h1-3,10,12H,(H,9,11)",C7H6ClNO3,,,,,,VGDCRPRQQPVICX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.665,253-551-6,37560-05-7,"4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxoisocrotonic acid","4-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-4-oxobut-2-enoic acid",Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)\\C=C/C(=O)O)cc2)n1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)\C=C/C(=O)O)cc2)n1,"InChI=1/C16H16N4O5S/c1-10-9-11(2)18-16(17-10)20-26(24,25)13-5-3-12(4-6-13)19-14(21)7-8-15(22)23/h3-9H,1-2H3,(H,19,21)(H,22,23)(H,17,18,20)",C16H16N4O5S,,,,,,BUGYDSJZQNENIV-FPLPWBNLSA-N,,,,,,,,,,,
100.048.673,253-560-5,37593-03-6,1-(4-heptylphenyl)ethan-1-one,1-(4-heptylphenyl)ethanone,CCCCCCCc1ccc(cc1)C(=O)C,CCCCCCCc1ccc(cc1)C(=O)C,"InChI=1/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3",C15H22O,,,,,,UQBRZOXCKKBKDU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.678,253-565-2,37603-11-5,"2-(bromomethyl)-5-fluoro-2,3-dihydrobenzofuran","2-(bromomethyl)-5-fluoro-2,3-dihydro-1-benzofuran",Fc1ccc2OC(CBr)Cc2c1,Fc1ccc2OC(CBr)Cc2c1,"InChI=1/C9H8BrFO/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-3,8H,4-5H2",C9H8BrFO,,,,,,LWMNGWOYGHJPHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.681,253-568-9,37609-25-9,5-cyclohexadecen-1-one,cyclohexadec-5-en-1-one,O=C1CCCCCCCCCC\\C=C/CCC1,O=C1CCCCCCCCCC\C=C/CCC1,"InChI=1/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2",C16H28O,,,,,,ABRIMXGLNHCLIP-VURMDHGXSA-N,,,,,,,,,,,
100.048.683,253-571-5,37623-51-1,"6-pentadecyl-1,3,5-triazine-2,4-diamine","6-pentadecyl-1,3,5-triazine-2,4-diamine",CCCCCCCCCCCCCCCc1nc(N)nc(N)n1,CCCCCCCCCCCCCCCc1nc(N)nc(N)n1,"InChI=1/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(19)23-18(20)22-16/h2-15H2,1H3,(H4,19,20,21,22,23)",C18H35N5,,,,,,JZSZJXLPSQTWSS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.464,255-530-7,41748-47-4,Sodium (S)-4-[[2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl]amino]benzoate,sodium 4-[(N-benzoyl-L-tyrosyl)amino]benzoate,[Na+].Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)Nc3ccc(cc3)C(=O)[O-])cc1,[Na+].Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)Nc3ccc(cc3)C(=O)[O-])cc1,"InChI=1/C23H20N2O5.Na/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30;/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30);/q;+1/p-1",C23H20N2O5.Na,,,,,,HEJYVLSWQWPKPQ-BDQAORGHSA-M,,,,,,,,,,,
100.061.551,267-727-5,67906-59-6,2-[4-[(4-amino-5-methoxy-2-methylphenyl)azo]phenoxy]ethanol,2-{4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]phenoxy}ethanol,Nc1cc(C)c(cc1OC)N=Nc2ccc(OCCO)cc2,Nc1cc(C)c(cc1OC)N=Nc2ccc(OCCO)cc2,"InChI=1/C16H19N3O3/c1-11-9-14(17)16(21-2)10-15(11)19-18-12-3-5-13(6-4-12)22-8-7-20/h3-6,9-10,20H,7-8,17H2,1-2H3",C16H19N3O3,,,,,,DUTCAVFIKKTLQP-UHFFFAOYSA-N,,,,,,,,,,,
100.055.956,261-572-7,59044-29-0,"(9Z,12Z,15Z)-9,12,15-octadecatrienoyl chloride","octadeca-9,12,15-trienoyl chloride",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)Cl,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)Cl,"InChI=1/C18H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3",C18H29ClO,,,,,,MRKXCQPDRPTZCG-PDBXOOCHSA-N,,,,,,,,,,,
100.055.965,261-582-1,59056-70-1,"Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl formate","(7,7,8,8-tetramethyloctahydro-2,3b-methanocyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)methyl formate",CC1(C)CCC(COC=O)C23C4CC(CC124)C3(C)C,CC1(C)CCC(COC=O)C23C4CC(CC124)C3(C)C,"InChI=1/C17H26O2/c1-14(2)6-5-11(9-19-10-18)17-13-7-12(15(17,3)4)8-16(13,14)17/h10-13H,5-9H2,1-4H3",C17H26O2,,,,,,AMKJSSRFMFASCY-UHFFFAOYSA-N,,,,,,,,,,,
100.055.969,261-586-3,59057-74-8,"2,5-dichloro-N,N-bis(2-hydroxyethyl)-4-[(2-methyl-1H-indol-3-yl)azo]benzenesulphonamide","2,5-dichloro-N,N-bis(2-hydroxyethyl)-4-[(2-methyl-1H-indol-3-yl)diazenyl]benzenesulfonamide",OCCN(CCO)S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c3ccccc3nc2C,OCCN(CCO)S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c3ccccc3nc2C,"InChI=1/C19H20Cl2N4O4S/c1-12-19(13-4-2-3-5-16(13)22-12)24-23-17-10-15(21)18(11-14(17)20)30(28,29)25(6-8-26)7-9-27/h2-5,10-11,22,26-27H,6-9H2,1H3",C19H20Cl2N4O4S,,,,,,PKXXQOYMHSSRDX-UHFFFAOYSA-N,,,,,,,,,,,
100.055.973,261-591-0,59083-35-1,4-phenylpiperidine-4-carboxamide monohydrochloride,4-phenylpiperidine-4-carboxamide hydrochloride,Cl.NC(=O)C1(CCNCC1)c2ccccc2,Cl.NC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C12H16N2O.ClH/c13-11(15)12(6-8-14-9-7-12)10-4-2-1-3-5-10;/h1-5,14H,6-9H2,(H2,13,15);1H",C12H16N2O.ClH,,,,,,LZWFVOQSFVFPJK-UHFFFAOYSA-N,,,,,,,,,,,
100.055.983,261-601-3,59094-77-8,Ethyl ethanethioate,S-ethyl ethanethioate,CCSC(=O)C,CCSC(=O)C,"InChI=1/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3",C4H8OS,,,,,,APTGPWJUOYMUCE-UHFFFAOYSA-N,,,,,,,,,,,
100.055.985,261-603-4,59101-30-3,"Formic acid, compound with 2-(dimethylamino)ethanol (1:1)",formic acid - 2-(dimethylamino)ethanol (1:1),CN(C)CCO.OC=O,CN(C)CCO.OC=O,"InChI=1/C4H11NO.CH2O2/c1-5(2)3-4-6;2-1-3/h6H,3-4H2,1-2H3;1H,(H,2,3)",C4H11NO.CH2O2,,,,,,VHVATZZFHAQBPR-UHFFFAOYSA-N,,,,,,,,,,,
100.055.989,261-608-1,59118-77-3,"2,2',2''-[(methylstannylidyne)tris(thio)]triethyl triacetate","4-[(2-acetoxyethyl)sulfanyl]-4-methyl-9-oxo-8-oxa-3,5-dithia-4-stannadec-1-yl acetate (non-preferred name)",CC(=O)OCCS[Sn](C)(SCCOC(=O)C)SCCOC(=O)C,CC(=O)OCCS[Sn](C)(SCCOC(=O)C)SCCOC(=O)C,"InChI=1/3C4H8O2S.CH3.Sn/c3*1-4(5)6-2-3-7;;/h3*7H,2-3H2,1H3;1H3;/q;;;;+3/p-3/rC13H24O6S3Sn/c1-11(14)17-5-8-20-23(4,21-9-6-18-12(2)15)22-10-7-19-13(3)16/h5-10H2,1-4H3",C13H24O6S3Sn,,,,,,SYPKACFPRZOONJ-UHFFFAOYSA-K,,,,,,,,,,,
100.055.995,261-614-4,59122-55-3,Dodecyl ß-D-glucopyranoside,dodecyl beta-D-glucopyranoside,CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3",C18H36O6,,,,,,PYIDGJJWBIBVIA-UYTYNIKBSA-N,,,,,,,,,,,
100.055.996,261-616-5,59127-80-9,5-(ethylamino)pentan-2-one,5-(ethylamino)pentan-2-one,CCNCCCC(=O)C,CCNCCCC(=O)C,"InChI=1/C7H15NO/c1-3-8-6-4-5-7(2)9/h8H,3-6H2,1-2H3",C7H15NO,,,,,,CAEPSWSOZBVDEO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.131,263-964-3,63149-27-9,"4-(4-aminophenoxy)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide","4-(4-aminophenoxy)-N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-2-naphthamide",CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc(N)cc3)c4ccccc4c2O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc(N)cc3)c4ccccc4c2O)c(c1)C(C)(C)CC,"InChI=1/C37H46N2O4/c1-7-36(3,4)25-15-20-32(31(23-25)37(5,6)8-2)42-22-12-11-21-39-35(41)30-24-33(43-27-18-16-26(38)17-19-27)28-13-9-10-14-29(28)34(30)40/h9-10,13-20,23-24,40H,7-8,11-12,21-22,38H2,1-6H3,(H,39,41)",C37H46N2O4,,,,,,IRSKGCDDLMCVBY-UHFFFAOYSA-N,,,,,,,,,,,
100.058.133,263-966-4,63149-33-7,"2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde","8-hydroxy-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde",Oc1c2CCCN3CCCc(cc1C=O)c23,Oc1c2CCCN3CCCc(cc1C=O)c23,"InChI=1/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2",C13H15NO2,,,,,,NRZXBDYODHLZBF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.140,263-974-8,63157-72-2,Tris[4-(diethylamino)phenyl]methylium acetate,tris[4-(diethylamino)phenyl]methylium acetate,CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC.CC(=O)[O-],CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC.CC(=O)[O-],"InChI=1/C31H43N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24,31H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1",C31H42N3.C2H3O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11005,https://echa.europa.eu/substance-information/-/substanceinfo/100.058.140,CBMNJIRTNNMVJC-UHFFFAOYSA-M,,,,,,,,,,,
100.052.036,257-258-4,51536-25-5,Ethyl cyclohexyl-3-thienylacetate,ethyl cyclohexyl(3-thienyl)acetate,CCOC(=O)C(C1CCCCC1)c2ccsc2,CCOC(=O)C(C1CCCCC1)c2ccsc2,"InChI=1/C14H20O2S/c1-2-16-14(15)13(12-8-9-17-10-12)11-6-4-3-5-7-11/h8-11,13H,2-7H2,1H3",C14H20O2S,,,,,,HPSGRCMLHWDBKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.039,257-262-6,51543-38-5,"(±)-2-fluoro-a-methyl[1,1'-biphenyl]-4-acetic acid",2-(2-fluorobiphenyl-4-yl)propanoic acid,CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2,CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2,"InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",C15H13FO2,,,,,,SYTBZMRGLBWNTM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.041,257-264-7,51543-40-9,"(R)-2-fluoro-a-methyl[1,1'-biphenyl]-4-acetic acid",2-(2-fluorobiphenyl-4-yl)propanoic acid,C[C@@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2,C[C@@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2,"InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",C15H13FO2,,,,,,SYTBZMRGLBWNTM-SNVBAGLBSA-N,,,,,,,,,,,
100.053.600,258-979-7,54110-97-3,Ethyl 2-benzylidenebutyrate,ethyl 2-benzylidenebutanoate,CCOC(=O)C(CC)=Cc1ccccc1,CCOC(=O)C(CC)=Cc1ccccc1,"InChI=1/C13H16O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",C13H16O2,,,,,,CMDBGQQPIQOIAK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.621,259-002-7,54152-47-5,"2,2-dimethylpiperidine","2,2-dimethylpiperidine",CC1(C)CCCCN1,CC1(C)CCCCN1,"InChI=1/C7H15N/c1-7(2)5-3-4-6-8-7/h8H,3-6H2,1-2H3",C7H15N,,,,,,LBUPWCHXRSTTNO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.004,253-923-8,38421-90-8,(E)-5-decenyl acetate,dec-5-en-1-yl acetate,CCCC\\C=C\\CCCCOC(=O)C,CCCC\C=C\CCCCOC(=O)C,"InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3",C12H22O2,,,,,,VTUFOIHYMMMNOM-VOTSOKGWSA-N,,,,,,,,,,,
100.049.008,253-928-5,38432-19-8,"N4-isopropyl-N2,N2-dimethyl-8-nitropyrimido[4',5':5,6][1,2,4]triazino[4,3-b]indazole-2,4-diamine","N~4~-isopropyl-N~2~,N~2~-dimethyl-8-nitropyrimido[4',5':5,6][1,2,4]triazino[4,3-b]indazole-2,4-diamine",CC(C)Nc1nc(nc2c1nnc3c4cc(ccc4nn23)[N+](=O)[O-])N(C)C,CC(C)Nc1nc(nc2c1nnc3c4cc(ccc4nn23)[N+](=O)[O-])N(C)C,"InChI=1/C16H17N9O2/c1-8(2)17-13-12-15(19-16(18-13)23(3)4)24-14(21-20-12)10-7-9(25(26)27)5-6-11(10)22-24/h5-8H,1-4H3,(H,17,18,19)",C16H17N9O2,,,,,,CJPNQUBNSDHCSV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.019,253-940-0,38449-92-2,"Disodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4'-[(2,4-diaminophenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(N)cc5N)c(OC)c6,[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(N)cc5N)c(OC)c6,"InChI=1/C36H31N9O9S2.2Na/c1-53-28-14-19(8-11-26(28)42-41-25-13-10-22(37)18-24(25)38)20-9-12-27(29(15-20)54-2)43-44-34-30(55(47,48)49)16-21-17-31(56(50,51)52)35(36(46)32(21)33(34)39)45-40-23-6-4-3-5-7-23;;/h3-18,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C36H31N9O9S2.2Na,,,,,,NRNGJRUVOBAAQC-UHFFFAOYSA-L,,,,,,,,,,,
100.049.020,253-941-6,38451-14-8,"N,N'-dimethylhydrazodicarbothioamide","N,N'-dimethylhydrazine-1,2-dicarbothioamide",CNC(=S)NNC(=S)NC,CNC(=S)NNC(=S)NC,"InChI=1/C4H10N4S2/c1-5-3(9)7-8-4(10)6-2/h1-2H3,(H2,5,7,9)(H2,6,8,10)",C4H10N4S2,,,,,,XDNRHSANVXQAHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.890,258-198-1,52811-80-0,4-propylphenyl 4-[(1-oxohexyl)oxy]benzoate,4-propylphenyl 4-(hexanoyloxy)benzoate,CCCCCC(=O)Oc1ccc(cc1)C(=O)Oc2ccc(CCC)cc2,CCCCCC(=O)Oc1ccc(cc1)C(=O)Oc2ccc(CCC)cc2,"InChI=1/C22H26O4/c1-3-5-6-8-21(23)25-19-15-11-18(12-16-19)22(24)26-20-13-9-17(7-4-2)10-14-20/h9-16H,3-8H2,1-2H3",C22H26O4,,,,,,KGYHDKQBNLIFKF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.894,258-202-1,52818-63-0,p-anisyl(2-pyridyl)amine,N-(4-methoxybenzyl)pyridin-2-amine,COc2ccc(CNc1ccccn1)cc2,COc2ccc(CNc1ccccn1)cc2,"InChI=1/C13H14N2O/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)",C13H14N2O,,,,,,SMJGJENXFSWIMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.897,258-205-8,52825-28-2,Potassium 2-methyl-2-[(1-oxoallyl)amino]propanesulphonate,potassium 2-(acryloylamino)-2-methylpropane-1-sulfonate,[K+].CC(C)(CS(=O)(=O)[O-])NC(=O)C=C,[K+].CC(C)(CS(=O)(=O)[O-])NC(=O)C=C,"InChI=1/C7H13NO4S.K/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1",C7H13NO4S.K,,,,,,BWFJQOYMXHEGNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.052.900,258-208-4,52829-98-8,a-methylcyclopentanemethanol,1-cyclopentylethanol,CC(O)C1CCCC1,CC(O)C1CCCC1,"InChI=1/C7H14O/c1-6(8)7-4-2-3-5-7/h6-8H,2-5H2,1H3",C7H14O,,,,,,WPCMSUSLCWXTKB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.902,258-211-0,52830-71-4,"2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]benzoic acid","2,3,4,5-tetrachloro-6-[4-(diethylamino)-2-methylbenzoyl]benzoic acid",CCN(CC)c1ccc(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c(C)c1,CCN(CC)c1ccc(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c(C)c1,"InChI=1/C19H17Cl4NO3/c1-4-24(5-2)10-6-7-11(9(3)8-10)18(25)12-13(19(26)27)15(21)17(23)16(22)14(12)20/h6-8H,4-5H2,1-3H3,(H,26,27)",C19H17Cl4NO3,,,,,,NCXVXMAFSITODE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.864,254-869-8,40278-81-7,"3-methyl-4-[(4-methylphenyl)amino]-3H-dibenz[f,ij]isoquinoline-2,7-dione","3-methyl-4-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione",CN1C(=O)C=C2c3ccccc3C(=O)c4ccc(Nc5ccc(C)cc5)c1c24,CN1C(=O)C=C2c3ccccc3C(=O)c4ccc(Nc5ccc(C)cc5)c1c24,"InChI=1/C24H18N2O2/c1-14-7-9-15(10-8-14)25-20-12-11-18-22-19(13-21(27)26(2)23(20)22)16-5-3-4-6-17(16)24(18)28/h3-13,25H,1-2H3",C24H18N2O2,,,,,,OMYRGDPORQJIPK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.867,254-872-4,40292-01-1,"N,N-dimethyl-4-[[4-(phenylazo)phenyl]azo]aniline","N,N-dimethyl-4-{[4-(phenyldiazenyl)phenyl]diazenyl}aniline",CN(C)c3ccc(N=Nc1ccc(cc1)N=Nc2ccccc2)cc3,CN(C)c3ccc(N=Nc1ccc(cc1)N=Nc2ccccc2)cc3,"InChI=1/C20H19N5/c1-25(2)20-14-12-19(13-15-20)24-23-18-10-8-17(9-11-18)22-21-16-6-4-3-5-7-16/h3-15H,1-2H3",C20H19N5,,,,,,IQDOOYRFBZVZJF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.869,254-875-0,40292-82-8,Neodecanoyl chloride,"2,5,5-trimethylheptanoyl chloride",CCC(C)(C)CCC(C)C(=O)Cl,CCC(C)(C)CCC(C)C(=O)Cl,"InChI=1/C10H19ClO/c1-5-10(3,4)7-6-8(2)9(11)12/h8H,5-7H2,1-4H3",C10H19ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13712,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.869,UQPRTNCCEAZJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.870,254-876-6,40298-71-3,"N-[(tert-butoxy)carbonyl]-O-[(2,6-dichlorophenyl)methyl]-L-tyrosine","N-(tert-butoxycarbonyl)-O-(2,6-dichlorobenzyl)-L-tyrosine",CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O,"InChI=1/C21H23Cl2NO5/c1-21(2,3)29-20(27)24-18(19(25)26)11-13-7-9-14(10-8-13)28-12-15-16(22)5-4-6-17(15)23/h4-10,18H,11-12H2,1-3H3,(H,24,27)(H,25,26)",C21H23Cl2NO5,,,,,,DODHIGHXRDNRPP-SFHVURJKSA-N,,,,,,,,,,,
100.051.387,256-544-6,50326-38-0,"1,1'-[sulphonylbis(p-phenyleneoxy)]dipropan-2-ol","1,1'-[sulfonylbis(4,1-phenyleneoxy)]dipropan-2-ol",CC(O)COc1ccc(cc1)S(=O)(=O)c2ccc(OCC(C)O)cc2,CC(O)COc1ccc(cc1)S(=O)(=O)c2ccc(OCC(C)O)cc2,"InChI=1/C18H22O6S/c1-13(19)11-23-15-3-7-17(8-4-15)25(21,22)18-9-5-16(6-10-18)24-12-14(2)20/h3-10,13-14,19-20H,11-12H2,1-2H3",C18H22O6S,,,,,,ZTUNUWXWAKQYMN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.390,256-547-2,50329-18-5,"Pentasodium hydrogen 1,2,3,4,5,6-cyclohexanehexacarboxylate","pentasodium hydrogen cyclohexane-1,2,3,4,5,6-hexacarboxylate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C1C(C(C(C(C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C1C(C(C(C(C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-],"InChI=1/C12H12O12.5Na/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18;;;;;/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;;/q;5*+1/p-6",C12H12O12.5Na,,,,,,FZVGHDJZKFKMAP-UHFFFAOYSA-H,,,,,,,,,,,
100.051.393,256-550-9,50337-85-4,"4,4-bis(4-fluorophenyl)butan-1-ol","4,4-bis(4-fluorophenyl)butan-1-ol",OCCCC(c1ccc(F)cc1)c2ccc(F)cc2,OCCCC(c1ccc(F)cc1)c2ccc(F)cc2,"InChI=1/C16H16F2O/c17-14-7-3-12(4-8-14)16(2-1-11-19)13-5-9-15(18)10-6-13/h3-10,16,19H,1-2,11H2",C16H16F2O,,,,,,BMPMPXFWCYAFJO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.395,256-553-5,50354-51-3,"Dimethyl 4,4'-thiobisbutyrate","dimethyl 4,4'-sulfanediyldibutanoate",COC(=O)CCCSCCCC(=O)OC,COC(=O)CCCSCCCC(=O)OC,"InChI=1/C10H18O4S/c1-13-9(11)5-3-7-15-8-4-6-10(12)14-2/h3-8H2,1-2H3",C10H18O4S,,,,,,UWLNIOIUTIBVPI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.396,256-554-0,50359-19-8,[2-chloro-1-(4-hydroxyphenyl)-2-oxoethyl]ammonium chloride,2-chloro-1-(4-hydroxyphenyl)-2-oxoethanaminium chloride,[Cl-].[NH3+]C(C(=O)Cl)c1ccc(O)cc1,[Cl-].[NH3+]C(C(=O)Cl)c1ccc(O)cc1,"InChI=1/C8H8ClNO2.ClH/c9-8(12)7(10)5-1-3-6(11)4-2-5;/h1-4,7,11H,10H2;1H",C8H8ClNO2.ClH,,,,,,MRFJAULKKHVIGF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.398,256-556-1,50373-28-9,(+)-2-ethylhexyl acetate,2-ethylhexyl acetate,CCCCC(CC)COC(=O)C,CCCCC(CC)COC(=O)C,"InChI=1/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3",C10H20O2,,,,,,WOYWLLHHWAMFCB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.400,256-558-2,50373-50-7,(S)-ß-methylphenethyl acetate,2-phenylpropyl acetate,C[C@H](COC(=O)C)c1ccccc1,C[C@H](COC(=O)C)c1ccccc1,"InChI=1/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3",C11H14O2,,,,,,RVPTTWAAIKMYAH-SECBINFHSA-N,,,,,,,,,,,
100.051.402,256-560-3,50375-08-1,"1-chloro-3,5-diethoxybenzene","1-chloro-3,5-diethoxybenzene",CCOc1cc(Cl)cc(OCC)c1,CCOc1cc(Cl)cc(OCC)c1,"InChI=1/C10H13ClO2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4H2,1-2H3",C10H13ClO2,,,,,,IWRWBPHDNQRSIN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.403,256-561-9,50375-10-5,"2,3,6-trichloroanisole","1,2,4-trichloro-3-methoxybenzene",COc1c(Cl)ccc(Cl)c1Cl,COc1c(Cl)ccc(Cl)c1Cl,"InChI=1/C7H5Cl3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3",C7H5Cl3O,,,,,,OTFNCXLUCRUNCH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.404,256-562-4,50375-15-0,N-[4-(2-hydroxyethoxy)phenyl]acetamide,N-[4-(2-hydroxyethoxy)phenyl]acetamide,CC(=O)Nc1ccc(OCCO)cc1,CC(=O)Nc1ccc(OCCO)cc1,"InChI=1/C10H13NO3/c1-8(13)11-9-2-4-10(5-3-9)14-7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)",C10H13NO3,,,,,,PVKHXJDOHVTKKC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.465,255-531-2,41749-18-2,"2,5-diethoxy-4-(p-tolylthio)benzenediazonium tetrafluoroborate","2,5-diethoxy-4-[(4-methylphenyl)sulfanyl]benzenediazonium tetrafluoroborate",CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2.F[B-](F)(F)F,CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2.F[B-](F)(F)F,"InChI=1/C17H19N2O2S.BF4/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;2-1(3,4)5/h6-11H,4-5H2,1-3H3;/q+1;-1",C17H19N2O2S.BF4,,,,,,AODYSPVOHILJJE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.469,255-535-4,41755-73-1,Phenyl 3-methylsalicylate,phenyl 2-hydroxy-3-methylbenzoate,Cc1cccc(C(=O)Oc2ccccc2)c1O,Cc1cccc(C(=O)Oc2ccccc2)c1O,"InChI=1/C14H12O3/c1-10-6-5-9-12(13(10)15)14(16)17-11-7-3-2-4-8-11/h2-9,15H,1H3",C14H12O3,,,,,,YEBPMWUBZDANBU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.480,255-548-5,41772-23-0,1-hydroxy-2-naphthylammonium chloride,1-hydroxynaphthalen-2-aminium chloride,[Cl-].[NH3+]c1ccc2ccccc2c1O,[Cl-].[NH3+]c1ccc2ccccc2c1O,"InChI=1/C10H9NO.ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;/h1-6,12H,11H2;1H",C10H9NO.ClH,,,,,,PEJOQASNBCUDMB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.485,255-553-2,41788-52-7,"cis-3-bromodihydro-3,5-dimethylfuran-2(3H)-one","3-bromo-3,5-dimethyldihydrofuran-2(3H)-one",C[C@@H]1C[C@](C)(Br)C(=O)O1,C[C@@H]1C[C@](C)(Br)C(=O)O1,"InChI=1/C6H9BrO2/c1-4-3-6(2,7)5(8)9-4/h4H,3H2,1-2H3",C6H9BrO2,,,,,,UIGUFPIRJDSCNF-XINAWCOVSA-N,,,,,,,,,,,
100.050.489,255-557-4,41812-95-7,[1-(chlorocarbonyl)cyclohexyl]ammonium chloride,1-(chlorocarbonyl)cyclohexanaminium chloride,[Cl-].[NH3+]C1(CCCCC1)C(=O)Cl,[Cl-].[NH3+]C1(CCCCC1)C(=O)Cl,"InChI=1/C7H12ClNO.ClH/c8-6(10)7(9)4-2-1-3-5-7;/h1-5,9H2;1H",C7H12ClNO.ClH,,,,,,SECQGFHGEVFPTK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.491,255-560-0,41816-03-9,"3,4,4a,5,8,8a-hexahydro-3',7'-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]","3',7-dimethyl-3,4,4a,5,8,8a-hexahydro-1H-spiro[1,4-methanonaphthalene-2,2'-oxirane]",CC1OC12CC3CC2C4CC(=CCC34)C,CC1OC12CC3CC2C4CC(=CCC34)C,"InChI=1/C14H20O/c1-8-3-4-11-10-6-13(12(11)5-8)14(7-10)9(2)15-14/h3,9-13H,4-7H2,1-2H3",C14H20O,,,,,,VKPRTBDRPNWOGL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.492,255-561-6,41830-80-2,"5,9-diaminobenzo[a]phenoxazin-7-ium perchlorate","5,9-diaminobenzo[a]phenoxazin-7-ium perchlorate",Nc1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1.[O-]Cl(=O)(=O)=O,Nc1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1.[O-]Cl(=O)(=O)=O,"InChI=1/C16H12N3O.ClHO4/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;2-1(3,4)5/h1-8H,17-18H2;(H,2,3,4,5)/q+1;/p-1",C16H12N3O.ClO4,,,,,,RFCOMIQECDVVNK-UHFFFAOYSA-M,,,,,,,,,,,
100.050.494,255-563-7,41840-29-3,"S-(4,6-dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate","S-(4,6-dimethylpyrimidin-2-yl) O-(4-methoxybenzyl) thiocarbonate",COc1ccc(COC(=O)Sc2nc(C)cc(C)n2)cc1,COc1ccc(COC(=O)Sc2nc(C)cc(C)n2)cc1,"InChI=1/C15H16N2O3S/c1-10-8-11(2)17-14(16-10)21-15(18)20-9-12-4-6-13(19-3)7-5-12/h4-8H,9H2,1-3H3",C15H16N2O3S,,,,,,DDIJXDDZBQMPDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.556,258-931-5,54029-45-7,4-amino-3-nitrophenyl thiocyanate,4-amino-3-nitrophenyl thiocyanate,Nc1ccc(SC#N)cc1[N+](=O)[O-],Nc1ccc(SC#N)cc1[N+](=O)[O-],"InChI=1/C7H5N3O2S/c8-4-13-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2",C7H5N3O2S,,,,,,QUWHIBBGKKRYFW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.558,258-933-6,54043-65-1,"1-[(1,1-dimethylethyl)azo]cyclohexan-1-ol",1-(tert-butyldiazenyl)cyclohexanol,OC1(N=NC(C)(C)C)CCCCC1,OC1(N=NC(C)(C)C)CCCCC1,"InChI=1/C10H20N2O/c1-9(2,3)11-12-10(13)7-5-4-6-8-10/h13H,4-8H2,1-3H3",C10H20N2O,,,,,,VZOZJPYUNZSWAC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.565,258-940-4,54057-95-3,1-aminocinnamic acid hydrochloride,"3-(1-aminocyclohexa-2,4-dien-1-yl)acrylic acid hydrochloride",Cl.NC1(CC=CC=C1)\\C=C\\C(=O)O,Cl.NC1(CC=CC=C1)\C=C\C(=O)O,"InChI=1/C9H11NO2.ClH/c10-9(7-4-8(11)12)5-2-1-3-6-9;/h1-5,7H,6,10H2,(H,11,12);1H",C9H9NO2.ClH,,,,,,DBWYGMDXWLARAS-KQGICBIGSA-N,,,,,,,,,,,
100.053.566,258-942-5,54060-09-2,"N-[3-(isononyloxy)propyl]propane-1,3-diamine","N-{3-[(7-methyloctyl)oxy]propyl}propane-1,3-diamine",CC(C)CCCCCCOCCCNCCCN,CC(C)CCCCCCOCCCNCCCN,"InChI=1/C15H34N2O/c1-15(2)9-5-3-4-6-13-18-14-8-12-17-11-7-10-16/h15,17H,3-14,16H2,1-2H3",C15H34N2O,,,,,,GETABASNQHSIBX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.575,258-951-4,54063-25-1,Amiterol,1-(4-aminophenyl)-2-(sec-butylamino)ethanol,CCC(C)NCC(O)c1ccc(N)cc1,CCC(C)NCC(O)c1ccc(N)cc1,"InChI=1/C12H20N2O/c1-3-9(2)14-8-12(15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8,13H2,1-2H3",C12H20N2O,,,,,,UWYLQWLJGMLJQF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.577,258-954-0,54063-35-3,Dofamium chloride,"2-anilino-N-{2-[dodecanoyl(methyl)amino]ethyl}-N,N-dimethyl-2-oxoethanaminium chloride",[Cl-].CCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC(=O)Nc1ccccc1,[Cl-].CCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC(=O)Nc1ccccc1,"InChI=1/C25H43N3O2.ClH/c1-5-6-7-8-9-10-11-12-16-19-25(30)27(2)20-21-28(3,4)22-24(29)26-23-17-14-13-15-18-23;/h13-15,17-18H,5-12,16,19-22H2,1-4H3;1H",C25H44N3O2.Cl,,,,,,AOAQBXAGGBSALU-UHFFFAOYSA-N,,,,,,,,,,,
100.058.141,263-975-3,63157-81-3,1-phenylglycerol,"3-phenoxypropane-1,2-diol",OCC(O)COc1ccccc1,OCC(O)COc1ccccc1,"InChI=1/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2",C9H12O3,,,,,,FNQIYTUXOKTMDM-UHFFFAOYSA-N,,,,,,,,,,,
100.058.145,263-980-0,63170-40-1,"4-methyl-1-(1,1,1-trichloromethyl)but-2-enyl acetate",1-(trichloromethyl)pent-2-en-1-yl acetate,CC(=O)OC(C=CCC)C(Cl)(Cl)Cl,CC(=O)OC(C=CCC)C(Cl)(Cl)Cl,"InChI=1/C8H11Cl3O2/c1-3-4-5-7(8(9,10)11)13-6(2)12/h4-5,7H,3H2,1-2H3",C8H11Cl3O2,,,,,,JSDFDSAZEOIQQK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.146,263-981-6,63175-24-6,"Methyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate","{[4-(1,2-dicyano-3-methoxy-3-oxoprop-1-en-1-yl)phenyl]imino}diethane-2,1-diyl dibenzoate",COC(=O)\\C(=C(/C#N)\\c1ccc(cc1)N(CCOC(=O)c2ccccc2)CCOC(=O)c3ccccc3)\\C#N,COC(=O)\C(=C(/C#N)\c1ccc(cc1)N(CCOC(=O)c2ccccc2)CCOC(=O)c3ccccc3)\C#N,"InChI=1/C30H25N3O6/c1-37-30(36)27(21-32)26(20-31)22-12-14-25(15-13-22)33(16-18-38-28(34)23-8-4-2-5-9-23)17-19-39-29(35)24-10-6-3-7-11-24/h2-15H,16-19H2,1H3",C30H25N3O6,,,,,,TWFWFZZEVCUZSW-CYYJNZCTSA-N,,,,,,,,,,,
100.058.147,263-982-1,63175-96-2,"5,6-dichloro-1-ethyl-2-methyl-3-(3-sulphonatobutyl)-1H-benzimidazolium","4-(5,6-dichloro-3-ethyl-2-methyl-2,3-dihydro-1H-3,1-benzimidazol-3-ium-1-yl)butane-2-sulfonate",CC[NH+]1C(C)N(CCC(C)S(=O)(=O)[O-])c2cc(Cl)c(Cl)cc12,CC[NH+]1C(C)N(CCC(C)S(=O)(=O)[O-])c2cc(Cl)c(Cl)cc12,"InChI=1/C14H20Cl2N2O3S/c1-4-17-10(3)18(6-5-9(2)22(19,20)21)14-8-12(16)11(15)7-13(14)17/h7-10H,4-6H2,1-3H3,(H,19,20,21)",C14H18Cl2N2O3S,,,,,,CDINKGZEJDGMNH-UHFFFAOYSA-N,,,,,,,,,,,
100.058.156,263-992-6,63183-41-5,Sodium aminoacetate hydrogen carbonate,-,[Na+].NCC(=O)[O-].[O-]C(=O)[O-],[Na+].NCC(=O)[O-].[O-]C(=O)[O-],"InChI=1/C2H5NO2.CH2O3.Na/c3-1-2(4)5;2-1(3)4;/h1,3H2,(H,4,5);(H2,2,3,4);/q;;+1/p-3",C2H5NO2.CH2O3.Na,,,,,,XRBBBNZZYYTETQ-UHFFFAOYSA-K,,,,,,,,,,,
100.058.160,263-996-8,63201-61-6,[(acetylmethylamino)methylene]bisphosphonic acid,{[(2-oxopropyl)amino]methylene}bis(phosphonic acid),CC(=O)CNC(P(=O)(O)O)P(=O)(O)O,CC(=O)CNC(P(=O)(O)O)P(=O)(O)O,"InChI=1/C4H11NO7P2/c1-3(6)2-5-4(13(7,8)9)14(10,11)12/h4-5H,2H2,1H3,(H2,7,8,9)(H2,10,11,12)",C4H11NO7P2,,,,,,JCVGNQOFKQIAFL-UHFFFAOYSA-N,,,,,,,,,,,
100.058.162,263-998-9,63212-53-3,2-chloro-3-ethylbenzoxazolium tetrafluoroborate,2-chloro-3-ethylbenzoxazolium tetrafluoroborate,[O-]B(F)[O-].CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F,[O-]B(F)[O-].CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.CC[n+]1c2ccccc2oc1Cl.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F,"InChI=1/8C9H9ClNO.4BFO2/c8*1-2-11-7-5-3-4-6-8(7)12-9(11)10;4*2-1(3)4/h8*3-6H,2H2,1H3;;;;/q8*+1;4*-2",C9H9ClNO.BF4,,,,,,UHWBZIQZSXCWFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.163,263-999-4,63213-29-6,"1-(2,4,5-triethoxyphenyl)ethan-1-one","1-(2,4,5-triethoxyphenyl)ethanone",CCOc1cc(OCC)c(cc1OCC)C(=O)C,CCOc1cc(OCC)c(cc1OCC)C(=O)C,"InChI=1/C14H20O4/c1-5-16-12-9-14(18-7-3)13(17-6-2)8-11(12)10(4)15/h8-9H,5-7H2,1-4H3",C14H20O4,,,,,,PXBWCOGDYXMWMC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.166,264-003-0,63216-84-2,"3-hydroxy-4-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonic acid","4-({4'-[(6-anilino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-3-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c7cc2cc(Nc1ccccc1)ccc2c(O)c7N=Nc3ccc(cc3OC)c6ccc(N=Nc4c5ccc(cc5cc(c4O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c6,OS(=O)(=O)c7cc2cc(Nc1ccccc1)ccc2c(O)c7N=Nc3ccc(cc3OC)c6ccc(N=Nc4c5ccc(cc5cc(c4O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c6,"InChI=1/C40H31N5O13S3/c1-57-33-18-22(8-14-31(33)42-44-37-29-13-11-28(59(48,49)50)17-25(29)21-36(40(37)47)61(54,55)56)23-9-15-32(34(19-23)58-2)43-45-38-35(60(51,52)53)20-24-16-27(10-12-30(24)39(38)46)41-26-6-4-3-5-7-26/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)",C40H31N5O13S3,,,,,,RDPSJFKAXIQCFK-UHFFFAOYSA-N,,,,,,,,,,,
100.058.167,264-004-6,63216-86-4,"2-[4-[2-(4-amino-2-sulphophenyl)vinyl]-3-sulphophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonic acid","2-{4-[2-(4-amino-2-sulfophenyl)vinyl]-3-sulfophenyl}-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonic acid",Nc1ccc(\\C=C\\c2ccc(cc2S(=O)(=O)O)n3nc4cc(c5ccccc5c4n3)S(=O)(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(\C=C\c2ccc(cc2S(=O)(=O)O)n3nc4cc(c5ccccc5c4n3)S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C24H18N4O9S3/c25-16-9-7-14(21(11-16)38(29,30)31)5-6-15-8-10-17(12-22(15)39(32,33)34)28-26-20-13-23(40(35,36)37)18-3-1-2-4-19(18)24(20)27-28/h1-13H,25H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)",C24H18N4O9S3,,,,,,XQKZTBOOQODQOQ-AATRIKPKSA-N,,,,,,,,,,,
100.059.530,265-502-6,65138-73-0,Ammonium decyl hydrogen phosphate,ammonium decyl hydrogen phosphate,[NH4+].CCCCCCCCCCOP(=O)(O)[O-],[NH4+].CCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C10H23O4P.H3N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H2,11,12,13);1H3",C10H23O4P.H3N,,,,,,AXAULTGMMREEPW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.549,265-523-0,65150-91-6,Sodium 9-acetoxy-1-nonylnonyl sulphate,sodium 1-(8-acetoxyoctyl)decyl sulfate,[Na+].CCCCCCCCCC(CCCCCCCCOC(=O)C)OS(=O)(=O)[O-],[Na+].CCCCCCCCCC(CCCCCCCCOC(=O)C)OS(=O)(=O)[O-],"InChI=1/C20H40O6S.Na/c1-3-4-5-6-7-10-13-16-20(26-27(22,23)24)17-14-11-8-9-12-15-18-25-19(2)21;/h20H,3-18H2,1-2H3,(H,22,23,24);/q;+1/p-1",C20H40O6S.Na,,,,,,WLPNDFZAYVCXRB-UHFFFAOYSA-M,,,,,,,,,,,
100.052.903,258-212-6,52830-74-7,"3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]phthalide","3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one",CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4N(C)C)N(C)C,CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4N(C)C)N(C)C,"InChI=1/C28H34N4O2/c1-29(2)20-11-9-19(10-12-20)28(25-16-14-22(31(5)6)18-26(25)32(7)8)24-15-13-21(30(3)4)17-23(24)27(33)34-28/h9-18H,1-8H3",C28H34N4O2,,,,,,WVSPCAHHSFSZOC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.925,258-236-7,52886-14-3,Lithium tetradecyl sulphate,lithium tetradecyl sulfate,[Li+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],[Li+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C14H30O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",C14H30O4S.Li,,,,,,MLDSWUBFGPXMOM-UHFFFAOYSA-M,,,,,,,,,,,
100.048.747,253-641-5,37718-11-9,1H-pyrazole-4-carboxylic acid,1H-pyrazole-4-carboxylic acid,OC(=O)c1cn[nH]c1,OC(=O)c1cn[nH]c1,"InChI=1/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)",C4H4N2O2,,,,,,IMBBXSASDSZJSX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.749,253-643-6,37723-78-7,Iopronic acid,"2-{[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]methyl}butanoic acid",CCC(COCCOc1c(I)cc(I)c(NC(=O)C)c1I)C(=O)O,CCC(COCCOc1c(I)cc(I)c(NC(=O)C)c1I)C(=O)O,"InChI=1/C15H18I3NO5/c1-3-9(15(21)22)7-23-4-5-24-14-11(17)6-10(16)13(12(14)18)19-8(2)20/h6,9H,3-5,7H2,1-2H3,(H,19,20)(H,21,22)",C15H18I3NO5,,,,,,YMFIJXDFAPHJIN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.250,255-294-5,41284-39-3,2-(N-ethyl-m-toluidino)ethyl benzoate,2-[ethyl(3-methylphenyl)amino]ethyl benzoate,CCN(CCOC(=O)c1ccccc1)c2cccc(C)c2,CCN(CCOC(=O)c1ccccc1)c2cccc(C)c2,"InChI=1/C18H21NO2/c1-3-19(17-11-7-8-15(2)14-17)12-13-21-18(20)16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3",C18H21NO2,,,,,,XDQFCGOZDVZOMI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.256,255-300-6,41295-28-7,"4-methoxy-3,3'-dimethylbenzophenone",(4-methoxy-3-methylphenyl)(3-methylphenyl)methanone,COc1ccc(cc1C)C(=O)c2cccc(C)c2,COc1ccc(cc1C)C(=O)c2cccc(C)c2,"InChI=1/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3",C16H16O2,,,,,,BWPYBAJTDILQPY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.259,255-303-2,41301-44-4,"Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate","methyl 3-formyl-2,2-dimethylcyclopropanecarboxylate",COC(=O)C1C(C=O)C1(C)C,COC(=O)C1C(C=O)C1(C)C,"InChI=1/C8H12O3/c1-8(2)5(4-9)6(8)7(10)11-3/h4-6H,1-3H3",C8H12O3,,,,,,KVSRWNPBUMDYOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.266,255-311-6,41319-54-4,"N,N-dioctadecylcarbamoyl chloride",dioctadecylcarbamic chloride,CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)Cl,CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)Cl,"InChI=1/C37H74ClNO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37(38)40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C37H74ClNO,,,,,,GSTUJEWGYSLULH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.270,255-315-8,41328-97-6,Cholest-5-en-3ß-yl isovalerate,cholest-5-en-3-yl 3-methylbutanoate,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(C)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(C)C,"InChI=1/C32H54O2/c1-21(2)9-8-10-23(5)27-13-14-28-26-12-11-24-20-25(34-30(33)19-22(3)4)15-17-31(24,6)29(26)16-18-32(27,28)7/h11,21-23,25-29H,8-10,12-20H2,1-7H3",C32H54O2,,,,,,HWVAWHHNNDOXDU-PTHRTHQKSA-N,,,,,,,,,,,
100.050.272,255-317-9,41330-24-9,"3-methylcyclopentane-1,2-diamine","3-methylcyclopentane-1,2-diamine",CC1CCC(N)C1N,CC1CCC(N)C1N,"InChI=1/C6H14N2/c1-4-2-3-5(7)6(4)8/h4-6H,2-3,7-8H2,1H3",C6H14N2,,,,,,RFRVEZFDDWKZOC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.285,255-332-0,41360-55-8,[4-(trifluoromethyl)phenyl]acetamide,2-[4-(trifluoromethyl)phenyl]acetamide,NC(=O)Cc1ccc(cc1)C(F)(F)F,NC(=O)Cc1ccc(cc1)C(F)(F)F,"InChI=1/C9H8F3NO/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H2,13,14)",C9H8F3NO,,,,,,CHGYICZMKKIHQI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.044,257-267-3,51547-44-5,"(3aR*,12E,13aR*)-1,3,3a,4,5,6,7,8,9,10,11,13a-dodecahydrocyclododeca[c]furan","1,3,3a,4,5,6,7,8,9,10,11,13a-dodecahydrocyclododeca[c]furan",C1CCCCC2COCC2\\C=C\\CCC1,C1CCCCC2COCC2\C=C\CCC1,"InChI=1/C14H24O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h7,9,13-14H,1-6,8,10-12H2",C14H24O,,,,,,QQPBNXSJUXIDLT-VQHVLOKHSA-N,,,,,,,,,,,
100.052.049,257-273-6,51550-25-5,"Tetrasodium 4,5-dihydroxy-3-[(8-hydroxy-3,6-disulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate","tetrasodium 4,5-dihydroxy-3-[(8-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c4c(c1)cc(cc4N=Nc3c(cc2cc(cc(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c4c(c1)cc(cc4N=Nc3c(cc2cc(cc(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C20H14N2O15S4.4Na/c23-14-6-11(39(29,30)31)2-8-1-10(38(26,27)28)5-13(17(8)14)21-22-19-16(41(35,36)37)4-9-3-12(40(32,33)34)7-15(24)18(9)20(19)25;;;;/h1-7,23-25H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;4*+1/p-4",C20H14N2O15S4.4Na,,,,,,BYOASQSUNKYWNG-UHFFFAOYSA-J,,,,,,,,,,,
100.052.051,257-275-7,51550-58-4,"Isopropyl 2-(2,4,5-trichlorophenoxy)propionate","isopropyl 2-(2,4,5-trichlorophenoxy)propanoate",CC(C)OC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CC(C)OC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C12H13Cl3O3/c1-6(2)17-12(16)7(3)18-11-5-9(14)8(13)4-10(11)15/h4-7H,1-3H3",C12H13Cl3O3,,,,,,HVUJPGRBJNSQCB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.031,256-153-0,43224-02-8,"1,2,2,6,6-pentamethyl-4-piperidyl acrylate","1,2,2,6,6-pentamethylpiperidin-4-yl acrylate",CN1C(C)(C)CC(CC1(C)C)OC(=O)C=C,CN1C(C)(C)CC(CC1(C)C)OC(=O)C=C,"InChI=1/C13H23NO2/c1-7-11(15)16-10-8-12(2,3)14(6)13(4,5)9-10/h7,10H,1,8-9H2,2-6H3",C13H23NO2,,,,,,WPARMABOLAOINO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.035,256-157-2,44307-07-5,"Ethane-1,1,2,2-tetrol","ethane-1,1,2,2-tetrol",OC(O)C(O)O,OC(O)C(O)O,InChI=1/C2H6O4/c3-1(4)2(5)6/h1-6H,C2H6O4,,,,,,AXCZRQHGMPTZPR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.039,256-161-4,44641-43-2,Methyl DL-cysteinate,methyl L-cysteinate,COC(=O)[C@@H](N)CS,COC(=O)[C@@H](N)CS,"InChI=1/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3",C4H9NO2S,,,,,,MCYHPZGUONZRGO-VKHMYHEASA-N,,,,,,,,,,,
100.051.040,256-163-5,44742-89-4,Ammonium hydrogen maleate,ammonium hydrogen but-2-enedioate,[NH4+].[O-]C(=O)\\C=C/C(=O)[O-],[NH4+].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.H3N/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);1H3/p-1",C4H4O4.H3N,,,,,,NLVWBYNKMPGKRG-ODZAUARKSA-M,,,,,,,,,,,
100.051.046,256-169-8,44912-22-3,Vinyl hydrogen succinate,4-oxo-4-(vinyloxy)butanoic acid,OC(=O)CCC(=O)OC=C,OC(=O)CCC(=O)OC=C,"InChI=1/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h2H,1,3-4H2,(H,7,8)",C6H8O4,,,,,,LYHBGVUSOICOJU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.049,256-172-4,44980-51-0,N-vinyloxycarbonyl-L-alanine,N-[(vinyloxy)carbonyl]-L-alanine,C[C@H](NC(=O)OC=C)C(=O)O,C[C@H](NC(=O)OC=C)C(=O)O,"InChI=1/C6H9NO4/c1-3-11-6(10)7-4(2)5(8)9/h3-4H,1H2,2H3,(H,7,10)(H,8,9)",C6H9NO4,,,,,,TZJSRVJKJPOOQV-BYPYZUCNSA-N,,,,,,,,,,,
100.051.055,256-179-2,45019-22-5,2-methylhexyl acrylate,2-methylhexyl acrylate,CCCCC(C)COC(=O)C=C,CCCCC(C)COC(=O)C=C,"InChI=1/C10H18O2/c1-4-6-7-9(3)8-12-10(11)5-2/h5,9H,2,4,6-8H2,1,3H3",C10H18O2,,,,,,LWZNQGJGMBRAII-UHFFFAOYSA-N,,,,,,,,,,,
100.051.067,256-192-3,45117-69-9,"6-methyl-6-vinyl-2,5,7,10-tetraoxa-6-silaundecane","6-methyl-6-vinyl-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](C)(OCCOC)C=C,COCCO[Si](C)(OCCOC)C=C,"InChI=1/C9H20O4Si/c1-5-14(4,12-8-6-10-2)13-9-7-11-3/h5H,1,6-9H2,2-4H3",C9H20O4Si,,,,,,INWVHJGPNCHXOO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.075,256-201-0,45173-95-3,2-ethylhexyl hydrogen 2-butenedioate,4-[(2-ethylhexyl)oxy]-4-oxobut-2-enoic acid,CCCCC(COC(=O)C=CC(O)=O)CC,CCCCC(COC(=O)C=CC(O)=O)CC,"InChI=1/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)",C12H20O4,,,,,,IQBLWPLYPNOTJC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.079,256-205-2,45206-91-5,Hexadecan-7-one,hexadecan-7-one,CCCCCCCCCC(=O)CCCCCC,CCCCCCCCCC(=O)CCCCCC,"InChI=1/C16H32O/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2/h3-15H2,1-2H3",C16H32O,,,,,,XMIMKDVDMTZIIW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.013,252-829-4,36001-88-4,O-methyl O-(4-methyl-2-nitrophenyl) isopropylthiophosphoramidate,methyl 4-methyl-2-nitrophenyl (isopropylsulfanyl)amidophosphate,COP(=O)(NSC(C)C)Oc1ccc(C)cc1[N+](=O)[O-],COP(=O)(NSC(C)C)Oc1ccc(C)cc1[N+](=O)[O-],"InChI=1/C11H17N2O5PS/c1-8(2)20-12-19(16,17-4)18-11-6-5-9(3)7-10(11)13(14)15/h5-8H,1-4H3,(H,12,16)",C11H17N2O4PS,,,,,,ZYZAFCCFOVVWBV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.027,252-845-1,36047-43-5,Nonyl dihydrogen phosphate,nonyl dihydrogen phosphate,CCCCCCCCCOP(=O)(O)O,CCCCCCCCCOP(=O)(O)O,"InChI=1/C9H21O4P/c1-2-3-4-5-6-7-8-9-13-14(10,11)12/h2-9H2,1H3,(H2,10,11,12)",C9H21O4P,,,,,,WYAKJXQRALMWPB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.031,252-849-3,36051-68-0,Cytidine 5'-(disodium dihydrogen triphosphate),disodium 4-amino-1-{5-O-[hydroxy({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphoryl]pentofuranosyl}pyrimidin-2(1H)-one,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C2O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C2O,"InChI=1/C9H16N3O14P3.2Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;/q;2*+1/p-2/rC9H14N3Na2O14P3/c10-5-1-2-12(9(17)11-5)8-7(16)6(15)4(24-8)3-23-29(18,19)27-31(22,26-14)28-30(20,21)25-13/h1-2,4,6-8,15-16H,3H2,(H,18,19)(H,20,21)(H2,10,11,17)",C9H16N3O14P3.2Na,,,,,,NFQMDTRPCFJJND-UHFFFAOYSA-L,,,,,,,,,,,
100.048.038,252-857-7,36065-10-8,"(±)-1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one","3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC3(C)C2CCC3(C)C(=O)C2=Cc1ccccc1,CC3(C)C2CCC3(C)C(=O)C2=Cc1ccccc1,"InChI=1/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3",C17H20O,,,,,,OIQXFRANQVWXJF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.041,252-860-3,36067-56-8,"(10a)-16a-[(2-O-acetyl-6-deoxy-a-L-ribo-hexopyranos-3-ulos-1-yl)oxy]-2ß,20,25-trihydroxy-9ß-methyl-19-norlanosta-5,23(E)-diene-3,11,22-trione","2,20,25-trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-16-yl 2-O-acetyl-6-deoxyhexopyranosid-3-ulose",CC1OC(OC2CC3(C)C4CC=C5C(CC(O)C(=O)C5(C)C)C4(C)C(=O)CC3(C)C2C(C)(O)C(=O)C=CC(C)(C)O)C(OC(=O)C)C(=O)C1O,CC1OC(OC2CC3(C)C4CC=C5C(CC(O)C(=O)C5(C)C)C4(C)C(=O)CC3(C)C2C(C)(O)C(=O)C=CC(C)(C)O)C(OC(=O)C)C(=O)C1O,"InChI=1/C38H54O12/c1-18-27(43)28(44)29(49-19(2)39)32(48-18)50-23-16-35(7)24-12-11-20-21(15-22(40)31(45)34(20,5)6)37(24,9)26(42)17-36(35,8)30(23)38(10,47)25(41)13-14-33(3,4)46/h11,13-14,18,21-24,27,29-30,32,40,43,46-47H,12,15-17H2,1-10H3",C38H54O12,,,,,,RRPAPBCRZGEXTR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.579,258-956-1,54063-54-6,Reproterol,"7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2C1=O,CN1C(=O)N(C)c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2C1=O,"InChI=1/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3",C18H23N5O5,,,,,,WVLAAKXASPCBGT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.582,258-959-8,54074-74-7,"Butyl 3-hydroxy-3,5-dimethylhex-4-enoate","butyl 3-hydroxy-3,5-dimethylhex-4-enoate",CCCCOC(=O)CC(C)(O)C=C(C)C,CCCCOC(=O)CC(C)(O)C=C(C)C,"InChI=1/C12H22O3/c1-5-6-7-15-11(13)9-12(4,14)8-10(2)3/h8,14H,5-7,9H2,1-4H3",C12H22O3,,,,,,QTFZJAKYCVIQBN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.585,258-962-4,54077-86-0,"Tetrapotassium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulphate)","tetrapotassium 7,16-dichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrayl tetrasulfate",[K+].[K+].[K+].[K+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c4Nc5c(Cl)cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6c5Nc4c(Cl)cc13,[K+].[K+].[K+].[K+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c4Nc5c(Cl)cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6c5Nc4c(Cl)cc13,"InChI=1/C28H16Cl2N2O16S4.4K/c29-17-9-15-19(27(47-51(39,40)41)13-7-3-1-5-11(13)25(15)45-49(33,34)35)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(46-50(36,37)38)12-6-2-4-8-14(12)28(20)48-52(42,43)44;;;;/h1-10,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4",C28H16Cl2N2O16S4.4K,,,,,,XRXUZVMKPYEWDV-UHFFFAOYSA-J,,,,,,,,,,,
100.053.590,258-968-7,54088-65-2,"2,6-dimethylhept-5-ene-1-nitrile","2,6-dimethylhept-5-enenitrile",CC(CCC=C(C)C)C#N,CC(CCC=C(C)C)C#N,"InChI=1/C9H15N/c1-8(2)5-4-6-9(3)7-10/h5,9H,4,6H2,1-3H3",C9H15N,,,,,,BMVIJPTWXRECLB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.594,258-972-9,54092-09-0,"Potassium hydrogen 1,3,4-thiadiazole-2,5-dithiolate","potassium hydrogen 1,3,4-thiadiazole-2,5-bis(thiolate)",[K+].[S-]c1nnc([S-])s1,[K+].[S-]c1nnc([S-])s1,"InChI=1/C2H2N2S3.K/c5-1-3-4-2(6)7-1;/h(H,3,5)(H,4,6);/q;+1/p-2",C2H2N2S3.K,,,,,,OCQNUKJYJIDERN-UHFFFAOYSA-L,,,,,,,,,,,
100.053.595,258-973-4,54094-08-5,"(4-chlorophenyl) (4-hydroxy-3,5-dimethoxyphenyl) ketone","(4-chlorophenyl)(4-hydroxy-3,5-dimethoxyphenyl)methanone",COc1cc(cc(OC)c1O)C(=O)c2ccc(Cl)cc2,COc1cc(cc(OC)c1O)C(=O)c2ccc(Cl)cc2,"InChI=1/C15H13ClO4/c1-19-12-7-10(8-13(20-2)15(12)18)14(17)9-3-5-11(16)6-4-9/h3-8,18H,1-2H3",C15H13ClO4,,,,,,NIWZWPORQPHZPU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.597,258-976-0,54105-66-7,Undecylcyclohexane,undecylcyclohexane,CCCCCCCCCCCC1CCCCC1,CCCCCCCCCCCC1CCCCC1,"InChI=1/C17H34/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h17H,2-16H2,1H3",C17H34,,,,,,XQQVOBPJWHQXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.599,258-978-1,54110-25-7,Pirozadil,"pyridine-2,6-diylbis(methylene) bis(3,4,5-trimethoxybenzoate)",COc1cc(cc(OC)c1OC)C(=O)OCc2cccc(COC(=O)c3cc(OC)c(OC)c(OC)c3)n2,COc1cc(cc(OC)c1OC)C(=O)OCc2cccc(COC(=O)c3cc(OC)c(OC)c(OC)c3)n2,"InChI=1/C27H29NO10/c1-31-20-10-16(11-21(32-2)24(20)35-5)26(29)37-14-18-8-7-9-19(28-18)15-38-27(30)17-12-22(33-3)25(36-6)23(13-17)34-4/h7-13H,14-15H2,1-6H3",C27H29NO10,,,,,,DIIBXMIIOQXTHW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.711,256-901-6,50992-46-6,"2,2'-methylenebis[4-chloro-5-isopropyl-m-cresol]","2,2'-methylenebis(4-chloro-5-isopropyl-3-methylphenol)",CC(C)c1cc(O)c(Cc2c(C)c(Cl)c(cc2O)C(C)C)c(C)c1Cl,CC(C)c1cc(O)c(Cc2c(C)c(Cl)c(cc2O)C(C)C)c(C)c1Cl,"InChI=1/C21H26Cl2O2/c1-10(2)14-8-18(24)16(12(5)20(14)22)7-17-13(6)21(23)15(11(3)4)9-19(17)25/h8-11,24-25H,7H2,1-6H3",C21H26Cl2O2,,,,,,XNZXHUFTLHPYJI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.714,256-904-2,50998-05-5,4-(2-aminopropyl)morpholine,1-morpholin-4-ylpropan-2-amine,CC(N)CN1CCOCC1,CC(N)CN1CCOCC1,"InChI=1/C7H16N2O/c1-7(8)6-9-2-4-10-5-3-9/h7H,2-6,8H2,1H3",C7H16N2O,,,,,,SWZKXIPDGAAYKE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.719,256-910-5,51013-53-7,"a-aminocyclohexa-1,4-diene-1-acetyl chloride hydrochloride","amino(cyclohexa-1,4-dien-1-yl)acetyl chloride hydrochloride",Cl.NC(C(=O)Cl)C1=CCC=CC1,Cl.NC(C(=O)Cl)C1=CCC=CC1,"InChI=1/C8H10ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-2,5,7H,3-4,10H2;1H",C8H10ClNO.ClH,,,,,,DLDIEAJVIRFDHY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.727,256-918-9,51023-63-3,Methyl D-mannopyranoside,methyl D-mannopyranoside,COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3",C7H14O6,,,,,,HOVAGTYPODGVJG-BWSJPXOBSA-N,,,,,,,,,,,
100.051.730,256-922-0,51026-47-2,2-[(2-cyanoethyl)[4-[(2-hydroxy-4-nitrophenyl)azo]-m-tolyl]amino]ethyl acetate,2-[(2-cyanoethyl){4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl}amino]ethyl acetate,Oc2cc(ccc2N=Nc1ccc(cc1C)N(CCC#N)CCOC(C)=O)[N+]([O-])=O,Oc2cc(ccc2N=Nc1ccc(cc1C)N(CCC#N)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C20H21N5O5/c1-14-12-16(24(9-3-8-21)10-11-30-15(2)26)4-6-18(14)22-23-19-7-5-17(25(28)29)13-20(19)27/h4-7,12-13,27H,3,9-11H2,1-2H3",C20H21N5O5,,,,,,NJPMMKHZWZEGKI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.732,256-924-1,51031-70-0,p-nitrophenyl 5-oxo-L-prolinate,4-nitrophenyl 5-oxo-L-prolinate,[O-][N+](=O)c1ccc(OC(=O)[C@@H]2CCC(=O)N2)cc1,[O-][N+](=O)c1ccc(OC(=O)[C@@H]2CCC(=O)N2)cc1,"InChI=1/C11H10N2O5/c14-10-6-5-9(12-10)11(15)18-8-3-1-7(2-4-8)13(16)17/h1-4,9H,5-6H2,(H,12,14)",C11H10N2O5,,,,,,LULJKDDAVJXNFS-VIFPVBQESA-N,,,,,,,,,,,
100.061.566,267-743-2,67910-49-0,"Diethyl 2,4,4-trichlorobuta-1,3-dienyl phosphate","diethyl 2,4,4-trichlorobuta-1,3-dien-1-yl phosphate",ClC(=COP(=O)(OCC)OCC)\\C=C(/Cl)Cl,ClC(=COP(=O)(OCC)OCC)\C=C(/Cl)Cl,"InChI=1/C8H12Cl3O4P/c1-3-13-16(12,14-4-2)15-6-7(9)5-8(10)11/h5-6H,3-4H2,1-2H3",C8H12Cl3O4P,,,,,,OBOWFNLWGVYPDT-UHFFFAOYSA-N,,,,,,,,,,,
100.061.567,267-744-8,67914-60-7,1-acetyl-4-(4-hydroxyphenyl)piperazine,4-(4-acetylpiperazin-1-yl)phenol,CC(=O)N1CCN(CC1)c2ccc(O)cc2,CC(=O)N1CCN(CC1)c2ccc(O)cc2,"InChI=1/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3",C12H16N2O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18235,https://echa.europa.eu/substance-information/-/substanceinfo/100.061.567,AGVNLFCRZULMKK-UHFFFAOYSA-N,,,,,,,,,,,
100.061.568,267-745-3,67914-61-8,"cis-1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine","1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine",Clc1ccc(c(Cl)c1)C2(Cn3ccnc3)OCC(COc4ccc(cc4)N5CCNCC5)O2,Clc1ccc(c(Cl)c1)C2(Cn3ccnc3)OCC(COc4ccc(cc4)N5CCNCC5)O2,"InChI=1/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2",C24H26Cl2N4O3,,,,,,LOUXSEJZCPKWAX-UHFFFAOYSA-N,,,,,,,,,,,
100.061.569,267-746-9,67914-84-5,"cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl benzoate","[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate",Clc1ccc(c(Cl)c1)C2(Cn3cncn3)OCC(COC(=O)c4ccccc4)O2,Clc1ccc(c(Cl)c1)C2(Cn3cncn3)OCC(COC(=O)c4ccccc4)O2,"InChI=1/C20H17Cl2N3O4/c21-15-6-7-17(18(22)8-15)20(11-25-13-23-12-24-25)28-10-16(29-20)9-27-19(26)14-4-2-1-3-5-14/h1-8,12-13,16H,9-11H2",C20H17Cl2N3O4,,,,,,FIAXLIKXDPKHMU-UHFFFAOYSA-N,,,,,,,,,,,
100.061.584,267-763-1,67923-47-1,2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)azo]anilino]ethyl propionate,2-[(2-cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl propionate,CCC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2)[N+](=O)[O-],CCC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C20H21N5O4/c1-2-20(26)29-15-14-24(13-3-12-21)18-8-4-16(5-9-18)22-23-17-6-10-19(11-7-17)25(27)28/h4-11H,2-3,13-15H2,1H3",C20H21N5O4,,,,,,FNYGFJSSCAOWLI-UHFFFAOYSA-N,,,,,,,,,,,
100.061.590,267-769-4,67923-54-0,"Cyclododeca-4,8-dien-1-yl acetate","cyclododeca-4,8-dien-1-yl acetate",CC(=O)OC1CCC\\C=C/CC\\C=C/CC1,CC(=O)OC1CCC\C=C/CC\C=C/CC1,"InChI=1/C14H22O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3",C14H22O2,,,,,,SNNVDGLEOWNXND-NIOMPZRHSA-N,,,,,,,,,,,
100.061.595,267-775-7,67923-59-5,Sodium [[2-methoxy-4-[(4-nitrophenyl)azo]phenyl]amino]methanesulphonate,sodium ({2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl}amino)methanesulfonate,[Na+].COc1cc(ccc1NCS([O-])(=O)=O)N=Nc2ccc(cc2)[N+]([O-])=O,[Na+].COc1cc(ccc1NCS([O-])(=O)=O)N=Nc2ccc(cc2)[N+]([O-])=O,"InChI=1/C14H14N4O6S.Na/c1-24-14-8-11(4-7-13(14)15-9-25(21,22)23)17-16-10-2-5-12(6-3-10)18(19)20;/h2-8,15H,9H2,1H3,(H,21,22,23);/q;+1/p-1",C14H14N4O6S.Na,,,,,,AKBVBRIQHNQBFO-UHFFFAOYSA-M,,,,,,,,,,,
100.061.598,267-778-3,67923-62-0,"Dipotassium 2,2'-methylenebis[3,4,6-trichlorophenolate]","dipotassium 2,2'-methylenebis(3,4,6-trichlorophenolate)",[K+].[K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,[K+].[K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,"InChI=1/C13H6Cl6O2.2K/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;;/h2-3,20-21H,1H2;;/q;2*+1/p-2",C13H6Cl6O2.2K,,,,,,BIRRARIYKDWFJX-UHFFFAOYSA-L,,,,,,,,,,,
100.061.599,267-779-9,67923-63-1,Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-5-methyl-4-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate,trisodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].COc6cc(c(C)cc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc6cc(c(C)cc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C36H30N6O14S3.3Na/c1-18-12-26(28(56-3)17-29(18)57(46,47)48)40-42-33-31(59(52,53)54)16-20-14-22(9-11-24(20)35(33)44)38-36(45)37-21-8-10-23-19(13-21)15-30(58(49,50)51)32(34(23)43)41-39-25-6-4-5-7-27(25)55-2;;;/h4-17,43-44H,1-3H3,(H2,37,38,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C36H30N6O14S3.3Na,,,,,,GIBSJSZTFKBVPK-UHFFFAOYSA-K,,,,,,,,,,,
100.061.600,267-780-4,67923-64-2,"Trisodium 3-[(2,4-dimethylphenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(6-sulphonato-2-naphthyl)azo]-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonate","trisodium 3-[(2,4-dimethylphenyl)diazenyl]-4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(6-sulfonato-2-naphthyl)diazenyl]-2-naphthyl}carbamoyl)amino]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc7c(c5)cc(c(N=Nc6ccc(C)cc6C)c7O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc7c(c5)cc(c(N=Nc6ccc(C)cc6C)c7O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C39H30N6O12S3.3Na/c1-20-3-12-32(21(2)13-20)43-45-36-34(60(55,56)57)19-25-16-27(8-11-31(25)38(36)47)41-39(48)40-26-7-10-30-24(15-26)18-33(59(52,53)54)35(37(30)46)44-42-28-6-4-23-17-29(58(49,50)51)9-5-22(23)14-28;;;/h3-19,46-47H,1-2H3,(H2,40,41,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3",C39H30N6O12S3.3Na,,,,,,DERGVYIYJYGKCV-UHFFFAOYSA-K,,,,,,,,,,,
100.052.052,257-276-2,51550-63-1,"Isopropyl 4-(2,4-dichlorophenoxy)butyrate","isopropyl 4-(2,4-dichlorophenoxy)butanoate",CC(C)OC(=O)CCCOc1ccc(Cl)cc1Cl,CC(C)OC(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C13H16Cl2O3/c1-9(2)18-13(16)4-3-7-17-12-6-5-10(14)8-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3",C13H16Cl2O3,,,,,,DDIQJQKDYCRPLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.055,257-279-9,51555-02-3,1-[1-(4-heptylphenyl)vinyl]-4-propoxybenzene,1-heptyl-4-[1-(4-propoxyphenyl)vinyl]benzene,CCCCCCCc1ccc(cc1)C(=C)c2ccc(OCCC)cc2,CCCCCCCc1ccc(cc1)C(=C)c2ccc(OCCC)cc2,"InChI=1/C24H32O/c1-4-6-7-8-9-10-21-11-13-22(14-12-21)20(3)23-15-17-24(18-16-23)25-19-5-2/h11-18H,3-10,19H2,1-2H3",C24H32O,,,,,,FCRRHENEPCOJGE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.061,257-286-7,51560-72-6,"2,6-bis[(3-methoxypropyl)amino]-4-methylnicotinonitrile","2,6-bis[(3-methoxypropyl)amino]-4-methylnicotinonitrile",COCCCNc1cc(C)c(C#N)c(NCCCOC)n1,COCCCNc1cc(C)c(C#N)c(NCCCOC)n1,"InChI=1/C15H24N4O2/c1-12-10-14(17-6-4-8-20-2)19-15(13(12)11-16)18-7-5-9-21-3/h10H,4-9H2,1-3H3,(H2,17,18,19)",C15H24N4O2,,,,,,PDHMWWBAQJNDIP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.065,257-290-9,51570-89-9,"Hexahydro-1,3,5-tripentyl-1,3,5-triazine","1,3,5-tripentyl-1,3,5-triazinane",CCCCCN1CN(CCCCC)CN(CCCCC)C1,CCCCCN1CN(CCCCC)CN(CCCCC)C1,"InChI=1/C18H39N3/c1-4-7-10-13-19-16-20(14-11-8-5-2)18-21(17-19)15-12-9-6-3/h4-18H2,1-3H3",C18H39N3,,,,,,AOMYRTQIBYSIAR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.066,257-291-4,51575-25-8,Hydroxyaluminium diformate,hydroxyaluminum(2+) diformate,O[Al+2].[O-]C=O.[O-]C=O,O[Al+2].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Al.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+3;/p-3/r2CH2O2.AlHO/c2*2-1-3;1-2/h2*1H,(H,2,3);2H/q;;+2/p-2",C2H3AlO5,,,,,,XGVQRJMQNHMQNR-UHFFFAOYSA-K,,,,,,,,,,,
100.052.077,257-303-8,51591-38-9,"[R(R*,R*)]-2,3-bis(acetoxy)succinic acid","2,3-diacetoxysuccinic acid",CC(=O)OC(C(OC(=O)C)C(=O)O)C(=O)O,CC(=O)OC(C(OC(=O)C)C(=O)O)C(=O)O,"InChI=1/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)",C8H10O8,,,,,,DNISEZBAYYIQFB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.078,257-304-3,51591-52-7,1-hydroxyprop-2-yl benzoate,2-hydroxy-1-methylethyl benzoate,CC(CO)OC(=O)c1ccccc1,CC(CO)OC(=O)c1ccccc1,"InChI=1/C10H12O3/c1-8(7-11)13-10(12)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3",C10H12O3,,,,,,LBPLLQWWWCNJBE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.080,257-306-4,51591-66-3,Sodium 4-methyl-3-nitrobenzenesulphonate,sodium 4-methyl-3-nitrobenzenesulfonate,[Na+].Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-],[Na+].Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C7H7NO5S.Na/c1-5-2-3-6(14(11,12)13)4-7(5)8(9)10;/h2-4H,1H3,(H,11,12,13);/q;+1/p-1",C7H7NO5S.Na,,,,,,CFRODQVGSLQPJO-UHFFFAOYSA-M,,,,,,,,,,,
100.049.023,253-944-2,38455-53-7,4-[[4-[(4-hydroxy-o-tolyl)azo]phenyl]amino]-3-nitrobenzenesulphonic acid,4-({4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl}amino)-3-nitrobenzenesulfonic acid,Oc3cc(C)c(N=Nc2ccc(Nc1ccc(cc1[N+]([O-])=O)S(O)(=O)=O)cc2)cc3,Oc3cc(C)c(N=Nc2ccc(Nc1ccc(cc1[N+]([O-])=O)S(O)(=O)=O)cc2)cc3,"InChI=1/C19H16N4O6S/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26/h2-11,20,24H,1H3,(H,27,28,29)",C19H16N4O6S,,,,,,LMWVIMOPAMZMLR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.026,253-947-9,38455-90-2,N-methylephedrine hydrochloride,2-(dimethylamino)-1-phenylpropan-1-ol hydrochloride,Cl.C[C@@H]([C@H](O)c1ccccc1)N(C)C,Cl.C[C@@H]([C@H](O)c1ccccc1)N(C)C,"InChI=1/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H",C11H17NO.ClH,,,,,,NTCYWJCEOILKNG-ROLPUNSJSA-N,,,,,,,,,,,
100.049.033,253-955-2,38462-26-9,"(E)-4-(1,4,8-trimethyl-3,7-nonadienyl)pyridine","4-(1,4,8-trimethylnona-3,7-dien-1-yl)pyridine",CC(C\\C=C(/C)\\CCC=C(C)C)c1ccncc1,CC(C\C=C(/C)\CCC=C(C)C)c1ccncc1,"InChI=1/C17H25N/c1-14(2)6-5-7-15(3)8-9-16(4)17-10-12-18-13-11-17/h6,8,10-13,16H,5,7,9H2,1-4H3",C17H25N,,,,,,KULYGLRIZQIANR-OVCLIPMQSA-N,,,,,,,,,,,
100.049.035,253-957-3,38464-04-9,"3,4-diethoxyphenylacetic acid","(3,4-diethoxyphenyl)acetic acid",CCOc1ccc(CC(=O)O)cc1OCC,CCOc1ccc(CC(=O)O)cc1OCC,"InChI=1/C12H16O4/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14)",C12H16O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18573,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.035,FIKUHWAANCXBGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.038,253-961-5,38469-85-1,2-methoxy-6-nitrobenzonitrile,2-methoxy-6-nitrobenzonitrile,COc1cccc(c1C#N)[N+](=O)[O-],COc1cccc(c1C#N)[N+](=O)[O-],"InChI=1/C8H6N2O3/c1-13-8-4-2-3-7(10(11)12)6(8)5-9/h2-4H,1H3",C8H6N2O3,,,,,,ZHJPRHIYTNVTLI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.039,253-962-0,38471-49-7,2-(tridecyloxy)ethanol,2-(tridecyloxy)ethanol,CCCCCCCCCCCCCOCCO,CCCCCCCCCCCCCOCCO,"InChI=1/C15H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16/h16H,2-15H2,1H3",C15H32O2,,,,,,OJDDJQYSKDIXOE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.043,253-966-2,38486-29-2,"N-[(o-tolyl)methyl]propane-1,3-diamine","N-(2-methylbenzyl)propane-1,3-diamine",Cc1ccccc1CNCCCN,Cc1ccccc1CNCCCN,"InChI=1/C11H18N2/c1-10-5-2-3-6-11(10)9-13-8-4-7-12/h2-3,5-6,13H,4,7-9,12H2,1H3",C11H18N2,,,,,,BOIHMOWQNFKVCP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.045,252-865-0,36102-95-1,"5a,6a-epoxy-11ß-hydroxypregnane-3,20-dione, cyclic bis(ethylene acetal)","9a,11b-dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)tetradecahydrospiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,2'-[1,3]dioxolan]-11-ol",CC12CC(O)C3C(CC4OC45CC6(CCC35C)OCCO6)C1CCC2C7(C)OCCO7,CC12CC(O)C3C(CC4OC45CC6(CCC35C)OCCO6)C1CCC2C7(C)OCCO7,"InChI=1/C25H38O6/c1-21-13-17(26)20-15(16(21)4-5-18(21)23(3)27-8-9-28-23)12-19-25(31-19)14-24(29-10-11-30-24)7-6-22(20,25)2/h15-20,26H,4-14H2,1-3H3",C25H38O6,,,,,,PSKFLZFMMLBNMX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.048,252-868-7,36111-17-8,"N''-dodecyl-N,N,N',N'-tetramethylphosphoric triamide","N''-dodecyl-N,N,N',N'-tetramethylphosphoric triamide",CCCCCCCCCCCCNP(=O)(N(C)C)N(C)C,CCCCCCCCCCCCNP(=O)(N(C)C)N(C)C,"InChI=1/C16H38N3OP/c1-6-7-8-9-10-11-12-13-14-15-16-17-21(20,18(2)3)19(4)5/h6-16H2,1-5H3,(H,17,20)",C16H38N3OP,,,,,,HKWUUBDMOFHQEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.722,252-509-4,35318-10-6,"N,N'-bis(isopropyl)-N,N'-dioctadecylthioperoxydicarbamic acid","1,1'-{disulfanediylbis[carbonothioyl(isopropylimino)]}dioctadecane",CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)SSC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C,CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)SSC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C,"InChI=1/C44H88N2S4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45(41(3)4)43(47)49-50-44(48)46(42(5)6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42H,7-40H2,1-6H3",C44H88N2S4,,,,,,PAHVWNRWGPYIMP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.723,252-511-5,35322-29-3,Copper diundec-10-enoate,copper(2+) diundec-10-enoate,[Cu+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,[Cu+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,"InChI=1/2C11H20O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2",C11H20O2.1/2Cu,,,,,,AJPUPGDBTGSBCZ-UHFFFAOYSA-L,,,,,,,,,,,
100.047.731,252-519-9,35342-20-2,"4-[[5-(acetylamino)-2-chloro-4-methylphenyl]azo]-N-(7-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide","4-[(5-acetamido-2-chloro-4-methylphenyl)diazenyl]-N-(7-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthamide",CC(=O)Nc5cc(N=Nc1c4ccccc4cc(c1O)C(=O)Nc2cc3NC(=O)Nc3c(Cl)c2)c(Cl)cc5C,CC(=O)Nc5cc(N=Nc1c4ccccc4cc(c1O)C(=O)Nc2cc3NC(=O)Nc3c(Cl)c2)c(Cl)cc5C,"InChI=1/C27H20Cl2N6O4/c1-12-7-18(28)21(11-20(12)30-13(2)36)34-35-23-16-6-4-3-5-14(16)8-17(25(23)37)26(38)31-15-9-19(29)24-22(10-15)32-27(39)33-24/h3-11,37H,1-2H3,(H,30,36)(H,31,38)(H2,32,33,39)",C27H20Cl2N6O4,,,,,,CUNXFAPHUFACLF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.748,252-538-2,35386-78-8,O-benzyl-DL-alanine toluene-p-sulphonate,benzyl L-alaninate 4-methylbenzenesulfonate,C[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,C[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,"InChI=1/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)",C10H13NO2.C7H8O3S,,,,,,NWOPHJSSBMABBD-QRPNPIFTSA-N,,,,,,,,,,,
100.049.252,254-195-4,38933-95-8,1-hydroxy-4-[(2-hydroxyethyl)amino]anthraquinone,"1-hydroxy-4-[(2-hydroxyethyl)amino]-9,10-anthraquinone",OCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,OCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H13NO4/c18-8-7-17-11-5-6-12(19)14-13(11)15(20)9-3-1-2-4-10(9)16(14)21/h1-6,17-19H,7-8H2",C16H13NO4,,,,,,BZZAYWMGXWVQKV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.254,254-198-0,38936-35-5,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium chloride","2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium chloride",[Cl-].COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[Cl-].COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H23N3O.ClH/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;/h5-12,14H,13H2,1-4H3;1H",C20H24N3O.Cl,,,,,,AFIRWNNNZPZHLP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.259,254-204-1,38945-27-6,(carboxymethoxy)succinic acid,2-(carboxymethoxy)succinic acid,OC(=O)COC(CC(=O)O)C(=O)O,OC(=O)COC(CC(=O)O)C(=O)O,"InChI=1/C6H8O7/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H8O7,,,,,,CIOXZGOUEYHNBF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.261,254-206-2,38948-27-5,4-(2-piperidinoethoxy)aniline,4-(2-piperidin-1-ylethoxy)aniline,Nc1ccc(OCCN2CCCCC2)cc1,Nc1ccc(OCCN2CCCCC2)cc1,"InChI=1/C13H20N2O/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11,14H2",C13H20N2O,,,,,,VTBHKDHFDNLZNG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.264,254-209-9,38951-08-5,"5-oxo-L-proline, compound with 6-amino-2-methylheptan-2-ol (1:1)",5-oxo-L-proline - 6-amino-2-methylheptan-2-ol (1:1),CC(N)CCCC(C)(C)O.OC(=O)[C@@H]1CCC(=O)N1,CC(N)CCCC(C)(C)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H19NO.C5H7NO3/c1-7(9)5-4-6-8(2,3)10;7-4-2-1-3(6-4)5(8)9/h7,10H,4-6,9H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C8H19NO.C5H7NO3,,,,,,PJVIBXYXAYCWIJ-HVDRVSQOSA-N,,,,,,,,,,,
100.051.408,256-567-1,50378-93-3,"2,2'-methylenebis[4,6-bis(1,1-dimethylpropyl)phenol]","2,2'-methylenebis[4,6-bis(1,1-dimethylpropyl)phenol]",CCC(C)(C)c1cc(Cc2cc(cc(c2O)C(C)(C)CC)C(C)(C)CC)c(O)c(c1)C(C)(C)CC,CCC(C)(C)c1cc(Cc2cc(cc(c2O)C(C)(C)CC)C(C)(C)CC)c(O)c(c1)C(C)(C)CC,"InChI=1/C33H52O2/c1-13-30(5,6)24-18-22(28(34)26(20-24)32(9,10)15-3)17-23-19-25(31(7,8)14-2)21-27(29(23)35)33(11,12)16-4/h18-21,34-35H,13-17H2,1-12H3",C33H52O2,,,,,,DYVLACUMXYHTTN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.737,256-929-9,51037-47-9,4'-fluoro-2-hydroxy-4-(4-phenylpiperazin-1-yl)butyrophenone,1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one,OC(CCN1CCN(CC1)c2ccccc2)C(=O)c3ccc(F)cc3,OC(CCN1CCN(CC1)c2ccccc2)C(=O)c3ccc(F)cc3,"InChI=1/C20H23FN2O2/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9,19,24H,10-15H2",C20H23FN2O2,,,,,,DTQPKKCVUDORIM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.738,256-930-4,51037-53-7,4'-chloro-2-hydroxy-4-(4-phenylpiperazine-1-yl)butyrophenone,1-(4-chlorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one,OC(CCN1CCN(CC1)c2ccccc2)C(=O)c3ccc(Cl)cc3,OC(CCN1CCN(CC1)c2ccccc2)C(=O)c3ccc(Cl)cc3,"InChI=1/C20H23ClN2O2/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9,19,24H,10-15H2",C20H23ClN2O2,,,,,,VQHXPTDVTYMBEE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.748,256-941-4,51063-97-9,"(±)-1-(hydroxymethyl)ethane-1,2-diyl distearate","3-hydroxypropane-1,2-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3",C39H76O5,,,,,,UHUSDOQQWJGJQS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.879,258-186-6,52789-73-8,1-acetylcyclohexyl acetate,1-acetylcyclohexyl acetate,CC(=O)OC1(CCCCC1)C(=O)C,CC(=O)OC1(CCCCC1)C(=O)C,"InChI=1/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3",C10H16O3,,,,,,GIFAYASOTQVRTG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.699,253-588-8,37672-83-6,"Barium bis[p-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]benzenesulphonate]","barium bis{4-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate}",[Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O.[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O,[Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O.[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O,"InChI=1/2C16H14N4O4S.Ba/c2*1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2*2-10,15H,1H3,(H,22,23,24);/q;;+2/p-2",C16H14N4O4S.1/2Ba,,,,,,UEDMVTUCTFQATH-UHFFFAOYSA-L,,,,,,,,,,,
100.048.706,253-596-1,37673-28-2,Pentadecyl 5-oxo-L-prolinate,pentadecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20(23)18-15-16-19(22)21-18/h18H,2-17H2,1H3,(H,21,22)",C20H37NO3,,,,,,LRRMPIXOZBIOGX-SFHVURJKSA-N,,,,,,,,,,,
100.048.707,253-597-7,37673-29-3,1-methylpentadecyl 5-oxo-L-prolinate,1-methylpentadecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCC(C)OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCC(C)OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)25-21(24)19-16-17-20(23)22-19/h18-19H,3-17H2,1-2H3,(H,22,23)",C21H39NO3,,,,,,XPTUNYJQBDNKTK-GGYWPGCISA-N,,,,,,,,,,,
100.048.711,253-601-7,37673-34-0,1-ethylhexadecyl 5-oxo-L-prolinate,1-ethylhexadecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCC(CC)OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCC(CC)OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C23H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(4-2)27-23(26)21-18-19-22(25)24-21/h20-21H,3-19H2,1-2H3,(H,24,25)",C23H43NO3,,,,,,NWUNYLUHOJITCS-LBAQZLPGSA-N,,,,,,,,,,,
100.048.713,253-603-8,37673-36-2,Icosyl 5-oxo-L-prolinate,icosyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C25H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-25(28)23-20-21-24(27)26-23/h23H,2-22H2,1H3,(H,26,27)",C25H47NO3,,,,,,XZXIMDVKCYRCBQ-QHCPKHFHSA-N,,,,,,,,,,,
100.048.717,253-608-5,37673-40-8,Tetracosyl 5-oxo-L-prolinate,tetracosyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C29H55NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-29(32)27-24-25-28(31)30-27/h27H,2-26H2,1H3,(H,30,31)",C29H55NO3,,,,,,GNYRACNVVQQBII-MHZLTWQESA-N,,,,,,,,,,,
100.048.721,253-612-7,37675-31-3,1-bromo-3-chloropropene,1-bromo-3-chloroprop-1-ene,BrC=CCCl,BrC=CCCl,"InChI=1/C3H4BrCl/c4-2-1-3-5/h1-2H,3H2",C3H4BrCl,,,,,,XSESUBJBCQPSAT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.724,253-615-3,37677-09-1,"4-[2-(3,3-dimethyloxiranyl)ethyl]cyclohex-3-ene-1-carbaldehyde","4-[2-(3,3-dimethyloxiran-2-yl)ethyl]cyclohex-3-ene-1-carbaldehyde",CC1(C)OC1CCC2=CCC(CC2)C=O,CC1(C)OC1CCC2=CCC(CC2)C=O,"InChI=1/C13H20O2/c1-13(2)12(15-13)8-7-10-3-5-11(9-14)6-4-10/h3,9,11-12H,4-8H2,1-2H3",C13H20O2,,,,,,QDEJSRGRUBKYGP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.729,253-621-6,37678-79-8,4-[[4-[(2-hydroxy-1-naphthyl)azo]phenyl]azo]benzenesulphonic acid,4-({4-[(2-hydroxy-1-naphthyl)diazenyl]phenyl}diazenyl)benzenesulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4ccccc4ccc3O,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c4ccccc4ccc3O,"InChI=1/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)",C22H16N4O4S,,,,,,LEYJJTBJCFGAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.732,253-624-2,37686-84-3,Terguride,"1,1-diethyl-3-(6-methylergolin-8-yl)urea",CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1,CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1,"InChI=1/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)",C20H28N4O,,,,,,JOAHPSVPXZTVEP-YXJHDRRASA-N,,,,,,,,,,,
100.057.626,263-407-4,62105-88-8,Ethyl (2-chloroethylidene)carbazate,ethyl 2-(2-chloroethylidene)hydrazinecarboxylate,CCOC(=O)NN=CCCl,CCOC(=O)NN=CCCl,"InChI=1/C5H9ClN2O2/c1-2-10-5(9)8-7-4-3-6/h4H,2-3H2,1H3,(H,8,9)",C5H9ClN2O2,,,,,,MOGRANVSCOEDEG-UHFFFAOYSA-N,,,,,,,,,,,
100.057.630,263-412-1,62113-49-9,"5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenylphenanthridinium bromide","5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenylphenanthridinium bromide",[Br-].CCOC(=O)Nc1ccc2c(c1)c(c3ccccc3)[n+](CCCBr)c4cc(NC(=O)OCC)ccc24,[Br-].CCOC(=O)Nc1ccc2c(c1)c(c3ccccc3)[n+](CCCBr)c4cc(NC(=O)OCC)ccc24,"InChI=1/C28H28BrN3O4.BrH/c1-3-35-27(33)30-20-11-13-22-23-14-12-21(31-28(34)36-4-2)18-25(23)32(16-8-15-29)26(24(22)17-20)19-9-6-5-7-10-19;/h5-7,9-14,17-18H,3-4,8,15-16H2,1-2H3,(H,30,33);1H",C28H29BrN3O4.Br,,,,,,FEKABAHLFSPQDM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.642,263-425-2,62133-79-3,Disodium 5-[[4-[ethyl[(3-sulphonatophenyl)methyl]amino]phenyl]azo]-8-(phenylazo)naphthalene-2-sulphonate,disodium 5-({4-[ethyl(3-sulfonatobenzyl)amino]phenyl}diazenyl)-8-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c5ccc(N=Nc3ccc(N=Nc2ccccc2)c4cc(ccc34)S([O-])(=O)=O)cc5,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c5ccc(N=Nc3ccc(N=Nc2ccccc2)c4cc(ccc34)S([O-])(=O)=O)cc5,"InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-7-6-10-26(19-22)43(37,38)39)25-13-11-24(12-14-25)33-34-30-17-18-31(35-32-23-8-4-3-5-9-23)29-20-27(44(40,41)42)15-16-28(29)30;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C31H27N5O6S2.2Na,,,,,,ASQBMQDCZKNNKW-UHFFFAOYSA-L,,,,,,,,,,,
100.057.643,263-426-8,62133-80-6,Disodium 8-[[4-[ethyl[(3-sulphonatophenyl)methyl]amino]phenyl]azo]-5-(phenylazo)naphthalene-2-sulphonate,disodium 8-({4-[ethyl(3-sulfonatobenzyl)amino]phenyl}diazenyl)-5-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c5ccc(N=Nc3ccc(N=Nc2ccccc2)c4ccc(cc34)S([O-])(=O)=O)cc5,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c5ccc(N=Nc3ccc(N=Nc2ccccc2)c4ccc(cc34)S([O-])(=O)=O)cc5,"InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-7-6-10-26(19-22)43(37,38)39)25-13-11-24(12-14-25)33-35-31-18-17-30(34-32-23-8-4-3-5-9-23)28-16-15-27(20-29(28)31)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C31H27N5O6S2.2Na,,,,,,VUSXFUGOIRPDBR-UHFFFAOYSA-L,,,,,,,,,,,
100.057.645,263-428-9,62138-41-4,"Methyl 3-formyl-2,2-dimethylcyclopropanecarboxylate","methyl 3-formyl-2,2-dimethylcyclopropanecarboxylate",COC(=O)C1C(C=O)C1(C)C,COC(=O)C1C(C=O)C1(C)C,"InChI=1/C8H12O3/c1-8(2)5(4-9)6(8)7(10)11-3/h4-6H,1-3H3",C8H12O3,,,,,,KVSRWNPBUMDYOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.057.646,263-429-4,62140-67-4,Methyl 5-(ethylsulphonyl)-o-anisate,methyl 5-(ethylsulfonyl)-2-methoxybenzoate,CCS(=O)(=O)c1ccc(OC)c(c1)C(=O)OC,CCS(=O)(=O)c1ccc(OC)c(c1)C(=O)OC,"InChI=1/C11H14O5S/c1-4-17(13,14)8-5-6-10(15-2)9(7-8)11(12)16-3/h5-7H,4H2,1-3H3",C11H14O5S,,,,,,UUARTHQJSZTOEM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.648,263-432-0,62143-25-3,"N,N-dimethyl-4-[(5-nitrothiazol-2-yl)azo]aniline","N,N-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline",CN(C)c1ccc(cc1)N=Nc2ncc(s2)[N+]([O-])=O,CN(C)c1ccc(cc1)N=Nc2ncc(s2)[N+]([O-])=O,"InChI=1/C11H11N5O2S/c1-15(2)9-5-3-8(4-6-9)13-14-11-12-7-10(19-11)16(17)18/h3-7H,1-2H3",C11H11N5O2S,,,,,,SMOQAHWTDRWXHM-UHFFFAOYSA-N,,,,,,,,,,,
100.057.650,263-434-1,62149-56-8,Cadmium bis(heptadecanoate),cadmium diheptadecanoate,[Cd+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C17H34O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2",C17H34O2.1/2Cd,,,,,,ZNDXMUNDOCJFQM-UHFFFAOYSA-L,,,,,,,,,,,
100.057.651,263-435-7,62149-82-0,"Dodecyl (Z,Z,Z)-6-butyl-6-[[4-(dodecyloxy)-1,4-dioxobut-2-enyl]oxy]-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate","dodecyl 6-butyl-6-{[4-(dodecyloxy)but-2-en-1-yl]oxy}-4,11-dioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dien-1-oate",CCCCCCCCCCCCOC(=O)C=CC(=O)O[Sn](CCCC)(OC\\C=C/C(=O)OCCCCCCCCCCCC)OC/C=C\\COCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)C=CC(=O)O[Sn](CCCC)(OC\C=C/C(=O)OCCCCCCCCCCCC)OC/C=C\COCCCCCCCCCCCC,"InChI=1/C16H28O4.C16H29O3.C16H31O2.C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-2-3-4-5-6-7-8-9-10-11-15-19-16(18)13-12-14-17;1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17;1-3-4-2;/h12-13H,2-11,14H2,1H3,(H,17,18);12-13H,2-11,14-15H2,1H3;11,13H,2-10,12,14-16H2,1H3;1,3-4H2,2H3;/q;2*-1;;+3/p-1/rC52H96O9Sn/c1-5-9-13-16-19-22-25-28-31-34-43-56-44-37-38-47-59-62(49-12-8-4,60-48-39-40-50(53)57-45-35-32-29-26-23-20-17-14-10-6-2)61-52(55)42-41-51(54)58-46-36-33-30-27-24-21-18-15-11-7-3/h37-42H,5-36,43-49H2,1-4H3",C52H90O12Sn,,,,,,HSQLENZKDAADSB-YKVOHGDPSA-M,,,,,,,,,,,
100.057.656,263-440-4,62157-91-9,"3-ethyl-2,5-dihydrothiophene 1,1-dioxide","3-ethyl-2,5-dihydrothiophene 1,1-dioxide",CCC1=CCS(=O)(=O)C1,CCC1=CCS(=O)(=O)C1,"InChI=1/C6H10O2S/c1-2-6-3-4-9(7,8)5-6/h3H,2,4-5H2,1H3",C6H10O2S,,,,,,LQENBVCXBPWHIX-UHFFFAOYSA-N,,,,,,,,,,,
100.058.173,264-010-9,63216-98-8,4-[(p-aminophenyl)azo]-m-cresol,4-[(4-aminophenyl)diazenyl]-3-methylphenol,Oc2cc(C)c(N=Nc1ccc(N)cc1)cc2,Oc2cc(C)c(N=Nc1ccc(N)cc1)cc2,"InChI=1/C13H13N3O/c1-9-8-12(17)6-7-13(9)16-15-11-4-2-10(14)3-5-11/h2-8,17H,14H2,1H3",C13H13N3O,,,,,,DBCJYQPYIOLAEU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.045,253-968-3,38489-19-9,"N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-nitrophenyl)azo]-3-oxobutyramide","N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-nitrophenyl)diazenyl]-3-oxobutanamide",COc2cc(NC(=O)C(N=Nc1ccc(cc1)[N+]([O-])=O)C(C)=O)c(cc2Cl)OC,COc2cc(NC(=O)C(N=Nc1ccc(cc1)[N+]([O-])=O)C(C)=O)c(cc2Cl)OC,"InChI=1/C18H17ClN4O6/c1-10(24)17(22-21-11-4-6-12(7-5-11)23(26)27)18(25)20-14-9-15(28-2)13(19)8-16(14)29-3/h4-9,17H,1-3H3,(H,20,25)",C18H17ClN4O6,,,,,,NBZQPSZHCJZKPE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.048,253-972-5,38492-84-1,"1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde","1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbaldehyde",FC(F)(F)c1ccc2c(C=O)cc3c(Cl)cc(Cl)cc3c2c1,FC(F)(F)c1ccc2c(C=O)cc3c(Cl)cc(Cl)cc3c2c1,"InChI=1/C16H7Cl2F3O/c17-10-5-13-12-4-9(16(19,20)21)1-2-11(12)8(7-22)3-14(13)15(18)6-10/h1-7H",C16H7Cl2F3O,,,,,,ZBUKGLLJDMRAAF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.051,253-975-1,38512-82-2,5-methyl-2-nitroanisole,2-methoxy-4-methyl-1-nitrobenzene,COc1cc(C)ccc1[N+](=O)[O-],COc1cc(C)ccc1[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3",C8H9NO3,,,,,,XCOUVPWGTSKINY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.054,253-978-8,38514-11-3,2-propyloctan-1-ol,2-propyloctan-1-ol,CCCCCCC(CO)CCC,CCCCCCC(CO)CCC,"InChI=1/C11H24O/c1-3-5-6-7-9-11(10-12)8-4-2/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,FFTPMKGZLYSQAS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.055,253-979-3,38517-19-0,Cadmium(2+) (R)-12-hydroxyoctadecanoate,cadmium bis(12-hydroxyoctadecanoate),[Cd+2].CCCCCC[C@@H](O)CCCCCCCCCCC(=O)[O-].CCCCCC[C@@H](O)CCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCC[C@@H](O)CCCCCCCCCCC(=O)[O-].CCCCCC[C@@H](O)CCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O3.Cd/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H36O3.1/2Cd,,,,,,GZAFZVLKVLWJJD-NCTGSHGJSA-L,,,,,,,,,,,
100.049.059,253-984-0,38521-49-2,Pentabromo-a-phenylanisole,"1-(benzyloxy)-2,3,4,5,6-pentabromobenzene",Brc1c(Br)c(Br)c(OCc2ccccc2)c(Br)c1Br,Brc1c(Br)c(Br)c(OCc2ccccc2)c(Br)c1Br,"InChI=1/C13H7Br5O/c14-8-9(15)11(17)13(12(18)10(8)16)19-6-7-4-2-1-3-5-7/h1-5H,6H2",C13H7Br5O,,,,,,SMSGVBSSPGZMES-UHFFFAOYSA-N,,,,,,,,,,,
100.049.064,253-989-8,38533-61-8,2-chloro-6-methoxy-3-nitropyridine,2-chloro-6-methoxy-3-nitropyridine,COc1ccc(c(Cl)n1)[N+](=O)[O-],COc1ccc(c(Cl)n1)[N+](=O)[O-],"InChI=1/C6H5ClN2O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3",C6H5ClN2O3,,,,,,DVRGUTNVDGIKTP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.927,258-238-8,52891-01-7,"2,2'-(heptylimino)bisethanol","2,2'-(heptylimino)diethanol",CCCCCCCN(CCO)CCO,CCCCCCCN(CCO)CCO,"InChI=1/C11H25NO2/c1-2-3-4-5-6-7-12(8-10-13)9-11-14/h13-14H,2-11H2,1H3",C11H25NO2,,,,,,YRQDJBCEANHKAV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.930,258-241-4,52894-25-4,"Octane-1,2,7,8-tetrol","octane-1,2,7,8-tetrol",OCC(O)CCCCC(O)CO,OCC(O)CCCCC(O)CO,"InChI=1/C8H18O4/c9-5-7(11)3-1-2-4-8(12)6-10/h7-12H,1-6H2",C8H18O4,,,,,,TZSZOUXLMCRLSU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.931,258-243-5,52898-18-7,"N-[3-(dodecyloxy)propyl]propane-1,3-diamine","N-[3-(dodecyloxy)propyl]propane-1,3-diamine",CCCCCCCCCCCCOCCCNCCCN,CCCCCCCCCCCCOCCCNCCCN,"InChI=1/C18H40N2O/c1-2-3-4-5-6-7-8-9-10-11-17-21-18-13-16-20-15-12-14-19/h20H,2-19H2,1H3",C18H40N2O,,,,,,RQPAMHIHBHFBJN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.932,258-244-0,52899-27-1,4-[(4-butyl-2-cyanophenoxy)carbonyl]phenyl 4-(hexyloxy)benzoate,4-[(4-butyl-2-cyanophenoxy)carbonyl]phenyl 4-(hexyloxy)benzoate,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)Oc3ccc(CCCC)cc3C#N,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)Oc3ccc(CCCC)cc3C#N,"InChI=1/C31H33NO5/c1-3-5-7-8-20-35-27-15-11-24(12-16-27)30(33)36-28-17-13-25(14-18-28)31(34)37-29-19-10-23(9-6-4-2)21-26(29)22-32/h10-19,21H,3-9,20H2,1-2H3",C31H33NO5,,,,,,LUFFCZRQCYEJQL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.933,258-245-6,52899-59-9,4-butyl-2-nitrophenol,4-butyl-2-nitrophenol,CCCCc1ccc(O)c(c1)[N+](=O)[O-],CCCCc1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C10H13NO3/c1-2-3-4-8-5-6-10(12)9(7-8)11(13)14/h5-7,12H,2-4H2,1H3",C10H13NO3,,,,,,YNCKBAUMTMYXSC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.936,258-248-2,52900-31-9,Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-ß-alaninate,disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate,[Na+].[Na+].CCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)[O-].CCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)[O-].CCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)[O-],"InChI=1/2C18H33NO5.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-16(20)19(14-12-17(21)22)15-13-18(23)24;;/h2*2-15H2,1H3,(H,21,22)(H,23,24);;/q;;2*+1/p-2",C18H33NO5.2Na,,,,,,JFVDODCSAFMQMH-UHFFFAOYSA-L,,,,,,,,,,,
100.052.937,258-249-8,52900-93-3,(E)-a-ethylidenepiperidine-1-acetaldehyde,2-piperidin-1-ylbut-2-enal,C\\C=C(/C=O)\\N1CCCCC1,C\C=C(/C=O)\N1CCCCC1,"InChI=1/C9H15NO/c1-2-9(8-11)10-6-4-3-5-7-10/h2,8H,3-7H2,1H3",C9H15NO,,,,,,QATJQKZNFROBDS-XNWCZRBMSA-N,,,,,,,,,,,
100.052.943,258-256-6,52918-63-5,"a-cyano-3-phenoxybenzyl [1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate","cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2,CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2,"InChI=1/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",C22H19Br2NO3,,,,,,OWZREIFADZCYQD-NSHGMRRFSA-N,,,,,,,,,,,
100.051.417,256-577-6,50402-68-1,Potassium indan-5-sulphonate,potassium indane-5-sulfonate,[K+].[O-]S(=O)(=O)c1ccc2CCCc2c1,[K+].[O-]S(=O)(=O)c1ccc2CCCc2c1,"InChI=1/C9H10O3S.K/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9;/h4-6H,1-3H2,(H,10,11,12);/q;+1/p-1",C9H10O3S.K,,,,,,ZUQAFPQAUPXVOS-UHFFFAOYSA-M,,,,,,,,,,,
100.051.419,256-579-7,50405-95-3,4-methyl-6-(1-methylethyl)-2H-pyran-2-one,6-isopropyl-4-methyl-2H-pyran-2-one,CC(C)C1=CC(=CC(=O)O1)C,CC(C)C1=CC(=CC(=O)O1)C,"InChI=1/C9H12O2/c1-6(2)8-4-7(3)5-9(10)11-8/h4-6H,1-3H3",C9H12O2,,,,,,YYWNAZJLTICGGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.420,256-580-2,50407-30-2,"Hept-3-yne-2,5-diol","hept-3-yne-2,5-diol",CCC(O)C#CC(C)O,CCC(O)C#CC(C)O,"InChI=1/C7H12O2/c1-3-7(9)5-4-6(2)8/h6-9H,3H2,1-2H3",C7H12O2,,,,,,DTVARWVRNUFXLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.432,256-593-3,50461-74-0,Ethyl 2-oxovalerate,ethyl 2-oxopentanoate,CCCC(=O)C(=O)OCC,CCCC(=O)C(=O)OCC,"InChI=1/C7H12O3/c1-3-5-6(8)7(9)10-4-2/h3-5H2,1-2H3",C7H12O3,,,,,,YERWBBMSDMSDKT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.434,256-595-4,50467-20-4,"4-[(4-amino-3,5-diisopropylphenyl)methyl]-2,6-diethylaniline","4-(4-amino-3,5-diethylbenzyl)-2,6-diisopropylaniline",CCc1cc(Cc2cc(C(C)C)c(N)c(c2)C(C)C)cc(CC)c1N,CCc1cc(Cc2cc(C(C)C)c(N)c(c2)C(C)C)cc(CC)c1N,"InChI=1/C23H34N2/c1-7-18-10-16(11-19(8-2)22(18)24)9-17-12-20(14(3)4)23(25)21(13-17)15(5)6/h10-15H,7-9,24-25H2,1-6H3",C23H34N2,,,,,,XOMUHHURHSJLDC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.435,256-597-5,50468-22-9,"3-methylbutane-1,2-diol","3-methylbutane-1,2-diol",CC(C)C(O)CO,CC(C)C(O)CO,"InChI=1/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3",C5H12O2,,,,,,HJJZIMFAIMUSBW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.442,256-605-7,50495-13-1,Disodium tetrabromopalladate(2-),disodium tetrabromopalladate(2-),[Na+].[Na+].Br[Pd-2](Br)(Br)Br,[Na+].[Na+].Br[Pd-2](Br)(Br)Br,"InChI=1/4BrH.2Na.Pd/h4*1H;;;/q;;;;2*+1;+4/p-4/rBr4Pd.2Na/c1-5(2,3)4;;/q;2*+1",Br4Pd.2Na,,,,,,MPLXAXBUDPGDHC-UHFFFAOYSA-J,,,,,,,,,,,
100.051.086,256-213-6,45244-68-6,"3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propyl hydrogen sulphate","3-{1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl}propyl hydrogen sulfate",C[Si](C)(C)O[Si](C)(CCCOS(=O)(=O)O)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(CCCOS(=O)(=O)O)O[Si](C)(C)C,"InChI=1/C10H28O6SSi3/c1-18(2,3)15-20(7,16-19(4,5)6)10-8-9-14-17(11,12)13/h8-10H2,1-7H3,(H,11,12,13)",C10H28O6SSi3,,,,,,WWBXNMFJCHSXQW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.093,256-220-4,45294-18-6,Icosyl methacrylate,icosyl methacrylate,CCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C24H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3/h2,4-22H2,1,3H3",C24H46O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16494,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.093,CFBXDFZIDLWOSO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.095,256-223-0,45296-12-6,2-(diethylamino)ethyl oleate,2-(diethylamino)ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCN(CC)CC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCN(CC)CC,"InChI=1/C24H47NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3",C24H47NO2,,,,,,VWTYZZXUXJVLIO-YPKPFQOOSA-N,,,,,,,,,,,
100.051.098,256-226-7,45298-06-4,Didecyl maleate,didecyl but-2-enedioate,CCCCCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCCCC,"InChI=1/C24H44O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h19-20H,3-18,21-22H2,1-2H3",C24H44O4,,,,,,BVVRPLNLVUMGSL-VXPUYCOJSA-N,,,,,,,,,,,
100.051.104,256-233-5,45320-65-8,"N,N'-[(methylimino)dipropane-1,3-diyl]dioleamide","N,N'-[(methylimino)dipropane-3,1-diyl]bisoctadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCN(C)CCCNC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCN(C)CCCNC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C43H83N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-42(47)44-38-34-40-46(3)41-35-39-45-43(48)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-41H2,1-3H3,(H,44,47)(H,45,48)",C43H83N3O2,,,,,,NGBCHNCGPJMVHI-AUYXYSRISA-N,,,,,,,,,,,
100.051.106,256-235-6,45323-23-7,"N,N'-[carbonylbis[(2-hydroxyethyl)imino]ethane-1,2-diyl]distearamide",N-{2-[(2-hydroxyethyl){(2-hydroxyethyl)[2-(stearoylamino)ethyl]carbamoyl}amino]ethyl}octadecanamide (non-preferred name),CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)N(CCO)CCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)N(CCO)CCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C45H90N4O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)46-35-37-48(39-41-50)45(54)49(40-42-51)38-36-47-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-42H2,1-2H3,(H,46,52)(H,47,53)",C45H90N4O5,,,,,,JZXFFWLVPZYRKG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.111,256-240-3,45521-09-3,L-thiazolidine-4-carboxylic acid,"1,3-thiazolidine-4-carboxylic acid",OC(=O)C1CSCN1,OC(=O)C1CSCN1,"InChI=1/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)",C4H7NO2S,,,,,,DZLNHFMRPBPULJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.112,256-241-9,45529-92-8,"4,5-dimethyloxazol-2-amine","4,5-dimethyl-1,3-oxazol-2-amine",Cc1oc(N)nc1C,Cc1oc(N)nc1C,"InChI=1/C5H8N2O/c1-3-4(2)8-5(6)7-3/h1-2H3,(H2,6,7)",C5H8N2O,,,,,,VHZVSAXCIKCRAK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.113,256-242-4,45534-08-5,"5-methylthio-1H-1,2,4-triazol-3-ylamine","5-(methylsulfanyl)-4H-1,2,4-triazol-3-amine",CSc1nnc(N)[nH]1,CSc1nnc(N)[nH]1,"InChI=1/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)",C3H6N4S,,,,,,XGWWZKBCQLBJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.734,253-626-3,37686-98-9,"N,N'-(9,10-dihydro-4,8-dinitro-9,10-dioxo-1,5-anthracenediyl)bisacetamide","N,N'-(4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diacetamide",CC(=O)Nc1ccc(c2C(=O)c3c(NC(=O)C)ccc(c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],CC(=O)Nc1ccc(c2C(=O)c3c(NC(=O)C)ccc(c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H12N4O8/c1-7(23)19-9-3-5-11(21(27)28)15-13(9)17(25)16-12(22(29)30)6-4-10(20-8(2)24)14(16)18(15)26/h3-6H,1-2H3,(H,19,23)(H,20,24)",C18H12N4O8,,,,,,MTDCGWVJCYAZBO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.740,253-633-1,37693-15-5,"2,6-dichloro-4-nitro-m-cresol","2,6-dichloro-3-methyl-4-nitrophenol",Cc1c(Cl)c(O)c(Cl)cc1[N+](=O)[O-],Cc1c(Cl)c(O)c(Cl)cc1[N+](=O)[O-],"InChI=1/C7H5Cl2NO3/c1-3-5(10(12)13)2-4(8)7(11)6(3)9/h2,11H,1H3",C7H5Cl2NO3,,,,,,BIXNDXIFMLMASZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.000,257-219-1,51461-11-1,"N-(3-amino-4-chlorophenyl)-4-[2,4-bis(tert-pentyl)phenoxy]butyramide","N-(3-amino-4-chlorophenyl)-4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(N)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(N)c2)c(c1)C(C)(C)CC,"InChI=1/C26H37ClN2O2/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)31-15-9-10-24(30)29-19-12-13-21(27)22(28)17-19/h11-14,16-17H,7-10,15,28H2,1-6H3,(H,29,30)",C26H37ClN2O2,,,,,,BKETUCNJDZSSEV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.006,257-225-4,51473-23-5,2-chloro-6-methylergoline-8ß-acetonitrile monomethanesulphonate,(2-chloro-6-methylergolin-8-yl)acetonitrile methanesulfonate,CN1C[C@H](CC#N)C[C@H]2[C@H]1Cc3c(Cl)[nH]c4cccc2c34.CS(=O)(=O)O,CN1C[C@H](CC#N)C[C@H]2[C@H]1Cc3c(Cl)[nH]c4cccc2c34.CS(=O)(=O)O,"InChI=1/C17H18ClN3.CH4O3S/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14;1-5(2,3)4/h2-4,10,12,15,20H,5,7-9H2,1H3;1H3,(H,2,3,4)",C17H18ClN3.CH4O3S,,,,,,WXHDJVDIJQDJMK-AYJWUPBJSA-N,,,,,,,,,,,
100.052.015,257-235-9,51484-40-3,"N-pyridin-2-yl[1,1'-biphenyl]-4-acetamide",2-biphenyl-4-yl-N-pyridin-2-ylacetamide,O=C(Cc1ccc(cc1)c2ccccc2)Nc3ccccn3,O=C(Cc1ccc(cc1)c2ccccc2)Nc3ccccn3,"InChI=1/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)",C19H16N2O,,,,,,PWHROYKAGRUWDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.017,257-238-5,51489-21-5,N-[[1-(allyl)-2-pyrrolidinyl]methyl]-5-(aminosulphonyl)-2-methoxybenzamide monohydrochloride,N-[(1-allylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide hydrochloride,Cl.COc1ccc(cc1C(=O)NCC2CCCN2CC=C)S(=O)(=O)N,Cl.COc1ccc(cc1C(=O)NCC2CCCN2CC=C)S(=O)(=O)N,"InChI=1/C16H23N3O4S.ClH/c1-3-8-19-9-4-5-12(19)11-18-16(20)14-10-13(24(17,21)22)6-7-15(14)23-2;/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3,(H,18,20)(H2,17,21,22);1H",C16H23N3O4S.ClH,,,,,,KNPLKAQAZIFQIC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.027,257-249-5,51512-51-7,"2-[[bis(2,3-dibromopropoxy)phosphinyl]oxy]ethyl methacrylate","2-{[bis(2,3-dibromopropoxy)phosphoryl]oxy}ethyl methacrylate",CC(=C)C(=O)OCCOP(=O)(OCC(Br)CBr)OCC(Br)CBr,CC(=C)C(=O)OCCOP(=O)(OCC(Br)CBr)OCC(Br)CBr,"InChI=1/C12H19Br4O6P/c1-9(2)12(17)19-3-4-20-23(18,21-7-10(15)5-13)22-8-11(16)6-14/h10-11H,1,3-8H2,2H3",C12H19Br4O6P,,,,,,BSDALERRLFGFKK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.030,257-252-1,51527-96-9,[bis(2-hydroxyethyl)amino]-o-cresol,3-[bis(2-hydroxyethyl)amino]-2-methylphenol,Cc1c(O)cccc1N(CCO)CCO,Cc1c(O)cccc1N(CCO)CCO,"InChI=1/C11H17NO3/c1-9-10(3-2-4-11(9)15)12(5-7-13)6-8-14/h2-4,13-15H,5-8H2,1H3",C11H17NO3,,,,,,LWIZASRUTGFHBI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.031,257-253-7,51528-17-7,2-sec-butyl-p-cresol,2-sec-butyl-4-methylphenol,CCC(C)c1cc(C)ccc1O,CCC(C)c1cc(C)ccc1O,"InChI=1/C11H16O/c1-4-9(3)10-7-8(2)5-6-11(10)12/h5-7,9,12H,4H2,1-3H3",C11H16O,,,,,,ZWZHDBGKMXOIIE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.032,257-254-2,51528-32-6,Ethylmethylphosphinic acid,ethyl(methyl)phosphinic acid,CCP(=O)(C)O,CCP(=O)(C)O,"InChI=1/C3H9O2P/c1-3-6(2,4)5/h3H2,1-2H3,(H,4,5)",C3H9O2P,,,,,,NXHKQBCTZHECQF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.034,257-256-3,51532-26-4,Geranyl octanoate,"3,7-dimethylocta-2,6-dien-1-yl octanoate",CCCCCCCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCCCCCCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3",C18H32O2,,,,,,YYBMOGCOPQVSLQ-SAPNQHFASA-N,,,,,,,,,,,
100.052.042,257-265-2,51546-61-3,"[1S-(1a,2a,5a)]-5-(isopropyl)-2-methylcyclohexyl acetate",5-isopropyl-2-methylcyclohexyl acetate,CC(C)C1CCC(C)C(C1)OC(=O)C,CC(C)C1CCC(C)C(C1)OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,JAKFDYGDDRCJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.601,258-980-2,54111-93-2,Hexadecenylsuccinic acid,2-hexadec-1-en-1-ylsuccinic acid,OC(=O)C(C=CCCCCCCCCCCCCCC)CC(O)=O,OC(=O)C(C=CCCCCCCCCCCCCCC)CC(O)=O,"InChI=1/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h15-16,18H,2-14,17H2,1H3,(H,21,22)(H,23,24)",C20H36O4,,,,,,AAHZZGHPCKJNNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.604,258-983-9,54119-29-8,"2,5-diethylpyridine","2,5-diethylpyridine",CCc1ccc(CC)nc1,CCc1ccc(CC)nc1,"InChI=1/C9H13N/c1-3-8-5-6-9(4-2)10-7-8/h5-7H,3-4H2,1-2H3",C9H13N,,,,,,IXFAHCCRDSSCPX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.608,258-988-6,54135-54-5,Diethyl(2-hydroxyethyl)methylammonium methyl sulphate,"N,N-diethyl-2-hydroxy-N-methylethanaminium methyl sulfate",CC[N+](C)(CC)CCO.COS(=O)(=O)[O-],CC[N+](C)(CC)CCO.COS(=O)(=O)[O-],"InChI=1/C7H18NO.CH4O4S/c1-4-8(3,5-2)6-7-9;1-5-6(2,3)4/h9H,4-7H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C7H18NO.CH3O4S,,,,,,UOPJEMYYVBJYRW-UHFFFAOYSA-M,,,,,,,,,,,
100.058.176,264-014-0,63217-11-8,2-[2-(4-dodecylphenoxy)ethoxy]ethyl dihydrogen phosphate,2-[2-(4-dodecylphenoxy)ethoxy]ethyl dihydrogen phosphate,CCCCCCCCCCCCc1ccc(OCCOCCOP(=O)(O)O)cc1,CCCCCCCCCCCCc1ccc(OCCOCCOP(=O)(O)O)cc1,"InChI=1/C22H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-15-22(16-14-21)27-19-17-26-18-20-28-29(23,24)25/h13-16H,2-12,17-20H2,1H3,(H2,23,24,25)",C22H39O6P,,,,,,FYFRHNVOGWKKRC-UHFFFAOYSA-N,,,,,,,,,,,
100.058.178,264-016-1,63217-13-0,"Sodium 1,4-bis(2,6-dimethylheptyl) sulphonatosuccinate","sodium 1,4-bis[(2,6-dimethylheptyl)oxy]-1,4-dioxobutane-2-sulfonate",[Na+].CC(C)CCCC(C)COC(=O)CC(C(=O)OCC(C)CCCC(C)C)S(=O)(=O)[O-],[Na+].CC(C)CCCC(C)COC(=O)CC(C(=O)OCC(C)CCCC(C)C)S(=O)(=O)[O-],"InChI=1/C22H42O7S.Na/c1-16(2)9-7-11-18(5)14-28-21(23)13-20(30(25,26)27)22(24)29-15-19(6)12-8-10-17(3)4;/h16-20H,7-15H2,1-6H3,(H,25,26,27);/q;+1/p-1",C22H42O7S.Na,,,,,,VKDIBUUSCYWJOQ-UHFFFAOYSA-M,,,,,,,,,,,
100.058.185,264-024-5,63217-28-7,"5-(acetylamino)-3-[[4-[[3-[[[4-[2,4-bis(tert-pentyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthyl]oxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-acetamido-3-[(4-{[3-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}carbamoyl)-4-hydroxy-1-naphthyl]oxy}phenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c6cc1cc(cc(NC(C)=O)c1c(O)c6N=Nc2ccc(cc2)Oc3cc(c(O)c4ccccc34)C(=O)NCCCCOc5ccc(cc5C(C)(C)CC)C(C)(C)CC)S(O)(=O)=O,OS(=O)(=O)c6cc1cc(cc(NC(C)=O)c1c(O)c6N=Nc2ccc(cc2)Oc3cc(c(O)c4ccccc34)C(=O)NCCCCOc5ccc(cc5C(C)(C)CC)C(C)(C)CC)S(O)(=O)=O,"InChI=1/C49H54N4O12S2/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56/h10-11,14-21,24-28,55-56H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63)",C49H54N4O12S2,,,,,,NZCVUOKHPIGKMF-UHFFFAOYSA-N,,,,,,,,,,,
100.058.193,264-032-9,63224-16-8,N-[2-(dimethylamino)ethyl]butyramide,N-[2-(dimethylamino)ethyl]butanamide,CCCC(=O)NCCN(C)C,CCCC(=O)NCCN(C)C,"InChI=1/C8H18N2O/c1-4-5-8(11)9-6-7-10(2)3/h4-7H2,1-3H3,(H,9,11)",C8H18N2O,,,,,,GXQRNXRDAOAFDO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.204,264-044-4,63250-48-6,Ethyl (Z)-(3-ethyl-4-oxo-5-piperidin-1-ylthiazolidin-2-ylidene)acetate,"ethyl (3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate",CCOC(=O)\\C=C\\1/SC(N2CCCCC2)C(=O)N1CC,CCOC(=O)\C=C\1/SC(N2CCCCC2)C(=O)N1CC,"InChI=1/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3",C14H22N2O3S,,,,,,UAXYBJSAPFTPNB-KHPPLWFESA-N,,,,,,,,,,,
100.058.206,264-047-0,63251-40-1,"2-(4-aminophenyl)-2H-naphtho[1,2-d]triazole-6,8-disulphonic acid","2-(4-aminophenyl)-2H-naphtho[1,2-d][1,2,3]triazole-6,8-disulfonic acid",Nc1ccc(cc1)n2nc3ccc4c(cc(cc4c3n2)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc(cc1)n2nc3ccc4c(cc(cc4c3n2)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C16H12N4O6S2/c17-9-1-3-10(4-2-9)20-18-14-6-5-12-13(16(14)19-20)7-11(27(21,22)23)8-15(12)28(24,25)26/h1-8H,17H2,(H,21,22,23)(H,24,25,26)",C16H12N4O6S2,,,,,,YEQGESKQWPUAHN-UHFFFAOYSA-N,,,,,,,,,,,
100.058.212,264-053-3,63260-78-6,N-(4-chlorophenyl)-1-isopropylpiperidin-4-amine,N-(4-chlorophenyl)-1-isopropylpiperidin-4-amine,CC(C)N1CCC(CC1)Nc2ccc(Cl)cc2,CC(C)N1CCC(CC1)Nc2ccc(Cl)cc2,"InChI=1/C14H21ClN2/c1-11(2)17-9-7-14(8-10-17)16-13-5-3-12(15)4-6-13/h3-6,11,14,16H,7-10H2,1-2H3",C14H21ClN2,,,,,,JLLCBWRGOGXRBX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.555,265-529-3,65151-26-0,"Disodium 7-[(4-amino-3-methoxyphenyl)azo]naphthalene-1,3-disulphonate","disodium 7-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1,3-disulfonate",[Na+].[Na+].Nc1ccc(cc1OC)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Nc1ccc(cc1OC)N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H15N3O7S2.2Na/c1-27-16-8-12(4-5-15(16)18)20-19-11-3-2-10-6-13(28(21,22)23)9-17(14(10)7-11)29(24,25)26;;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C17H15N3O7S2.2Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18461,https://echa.europa.eu/substance-information/-/substanceinfo/100.059.555,QRSFZPZKWSGHRQ-UHFFFAOYSA-L,,,,,,,,,,,
100.059.557,265-531-4,65151-32-8,"7,7'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bisnaphthalene-1,3-disulphonic acid","7,7'-[(4,6-dihydroxy-1,3-phenylene)didiazene-2,1-diyl]dinaphthalene-1,3-disulfonic acid",Oc3cc(O)c(cc3N=Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O)N=Nc4cc5c(cc(cc5cc4)S(O)(=O)=O)S(O)(=O)=O,Oc3cc(O)c(cc3N=Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O)N=Nc4cc5c(cc(cc5cc4)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C26H18N4O14S4/c31-23-12-24(32)22(30-28-16-4-2-14-6-18(46(36,37)38)10-26(20(14)8-16)48(42,43)44)11-21(23)29-27-15-3-1-13-5-17(45(33,34)35)9-25(19(13)7-15)47(39,40)41/h1-12,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)",C26H18N4O14S4,,,,,,WABMIPLTDIMLQX-UHFFFAOYSA-N,,,,,,,,,,,
100.059.570,265-546-6,65151-69-1,"Dilithium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylate","dilithium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindane-5-carboxylate",[Li+].[Li+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccc(cc6C5=O)C(=O)[O-],[Li+].[Li+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccc(cc6C5=O)C(=O)[O-],"InChI=1/C27H16N2O7S2.2Li/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31;;/h2-11,21H,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2",C27H16N2O7S2.2Li,,,,,,BQVMZVAZYJYEJS-UHFFFAOYSA-L,,,,,,,,,,,
100.059.574,265-550-8,65151-76-0,Disodium 9-(sulphonatooxy)octadecanoate,disodium 9-(sulfonatooxy)octadecanoate,[Na+].[Na+].CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)[O-],"InChI=1/C18H36O6S.2Na/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2",C18H36O6S.2Na,,,,,,VGTVRFVVWNDJDH-UHFFFAOYSA-L,,,,,,,,,,,
100.052.946,258-259-2,52927-74-9,"trans-(±)-(3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-ylidene)malononitrile","(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylidene)malononitrile",CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1=C(C#N)C#N,CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1=C(C#N)C#N,"InChI=1/C20H23N3O2/c1-4-13-12-23-6-5-14-7-19(24-2)20(25-3)9-17(14)18(23)8-16(13)15(10-21)11-22/h7,9,13,18H,4-6,8,12H2,1-3H3",C20H23N3O2,,,,,,QBYYWAACEVWMKS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.947,258-260-8,52928-43-5,Bis(2-methylpropyl) (2-methylpropyl)phosphonate,diisobutyl isobutylphosphonate,CC(C)COP(=O)(CC(C)C)OCC(C)C,CC(C)COP(=O)(CC(C)C)OCC(C)C,"InChI=1/C12H27O3P/c1-10(2)7-14-16(13,9-12(5)6)15-8-11(3)4/h10-12H,7-9H2,1-6H3",C12H27O3P,,,,,,AIBYDPPBSBNXMK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.948,258-261-3,52933-07-0,"Phosphoric acid, isotridecyl ester",-,CC(C)CCCCCCCCCCOP(=O)=O,CC(C)CCCCCCCCCCOP(=O)=O,"InChI=1/C13H27O3P/c1-13(2)11-9-7-5-3-4-6-8-10-12-16-17(14)15/h13H,3-12H2,1-2H3",-,,,,,,YTFNPKAEOVSNTP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.951,258-265-5,52936-64-8,"(3ß,4a,16a)-3,16,23-trihydroxyolean-12-en-28-oic acid","3,16,23-trihydroxyolean-12-en-28-oic acid",CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,"InChI=1/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)",C30H48O5,,,,,,FABOBEOYNMHSHB-UAWZMHPWSA-N,,,,,,,,,,,
100.052.955,258-269-7,52948-41-1,"N-(2-aminoethyl)-N'-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethyl]ethylenediamine","N-(2-aminoethyl)-N'-[2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCCCCCC1=NCCN1CCNCCNCCN,CCCCCCCCCCCC1=NCCN1CCNCCNCCN,"InChI=1/C20H43N5/c1-2-3-4-5-6-7-8-9-10-11-20-24-17-19-25(20)18-16-23-15-14-22-13-12-21/h22-23H,2-19,21H2,1H3",C20H43N5,,,,,,RWMGNSBXHBQLGU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.965,258-280-7,52962-42-2,3-[(4-hydroxyphenyl)amino]propanesulphonic acid,3-[(4-hydroxyphenyl)amino]propane-1-sulfonic acid,Oc1ccc(NCCCS(=O)(=O)O)cc1,Oc1ccc(NCCCS(=O)(=O)O)cc1,"InChI=1/C9H13NO4S/c11-9-4-2-8(3-5-9)10-6-1-7-15(12,13)14/h2-5,10-11H,1,6-7H2,(H,12,13,14)",C9H13NO4S,,,,,,LIUOMZABQMKBFT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.288,255-335-7,41365-24-6,"N,N'-diethyl-N,N'-diphenylthioperoxydicarbamic acid",[ethyl({[ethyl(phenyl)carbamothioyl]disulfanyl}carbonothioyl)amino]benzene,CCN(C(=S)SSC(=S)N(CC)c1ccccc1)c2ccccc2,CCN(C(=S)SSC(=S)N(CC)c1ccccc1)c2ccccc2,"InChI=1/C18H20N2S4/c1-3-19(15-11-7-5-8-12-15)17(21)23-24-18(22)20(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3",C18H20N2S4,,,,,,DNCLGFHLBSMLPC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.289,255-336-2,41370-29-0,"2-(3,3-dimethylcyclohexylidene)ethanol","2-(3,3-dimethylcyclohexylidene)ethanol",CC1(C)CCCC(=CCO)C1,CC1(C)CCCC(=CCO)C1,"InChI=1/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,11H,3-4,6-8H2,1-2H3",C10H18O,,,,,,SHYLMMBHTKLAJS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.297,255-345-1,41382-37-0,"3',6'-bis(ethylamino)-2',7'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-bis(ethylamino)-2',7'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCNc1cc2Oc3cc(NCC)c(C)cc3C4(OC(=O)c5ccccc45)c2cc1C,CCNc1cc2Oc3cc(NCC)c(C)cc3C4(OC(=O)c5ccccc45)c2cc1C,"InChI=1/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)26(18-10-8-7-9-17(18)25(29)31-26)20-12-16(4)22(28-6-2)14-24(20)30-23/h7-14,27-28H,5-6H2,1-4H3",C26H26N2O3,,,,,,MGHXERGCHHWTER-UHFFFAOYSA-N,,,,,,,,,,,
100.050.299,255-347-2,41388-04-9,"[2-[3-[3-heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propenyl]phenoxy]acetic acid","(2-{3-[3-heptyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}phenoxy)acetic acid",OC(=O)COc3ccccc3C=CC=C2C(\\CCCCCCC)=N/N(c1c(Cl)cc(Cl)cc1Cl)C2=O,OC(=O)COc3ccccc3C=CC=C2C(\CCCCCCC)=N/N(c1c(Cl)cc(Cl)cc1Cl)C2=O,"InChI=1/C27H27Cl3N2O4/c1-2-3-4-5-6-13-23-20(12-9-11-18-10-7-8-14-24(18)36-17-25(33)34)27(35)32(31-23)26-21(29)15-19(28)16-22(26)30/h7-12,14-16H,2-6,13,17H2,1H3,(H,33,34)",C27H27Cl3N2O4,,,,,,BEFLIKKIHRKGLG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.301,255-349-3,41394-05-2,"4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one","4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one",CC1=NN=C(C(=O)N1N)c2ccccc2,CC1=NN=C(C(=O)N1N)c2ccccc2,"InChI=1/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3",C10H10N4O,,,,,,VHCNQEUWZYOAEV-UHFFFAOYSA-N,Positive/Negative,AU353801|AU353802|AU353803|AU353804;SM840101;EA005801|EA005802|EA005803|EA005804|EA005805|EA005806|EA005807|EA005808|EA005809|EA005810|EA005811|EA005812|EA005813|EA005814;UF401701|UF401702|UF401703|UF401704,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,203.0927:204.0947:175.0964|203.0927:175.0967:145.0381|175.0964:203.0911:174.0772|175.0966:118.0523;203.0927:175.0979:104.0495;175.0977:174.0789:106.0652|203.093|203.093:175.0976:174.0787|203.0928:175.0979:174.0788|175.0979:203.0922:104.0495|104.0495:175.0977:174.0786|104.0495:77.0386:175.0979|203.0929:175.0973:104.0491|203.093:175.098:174.0789|203.0929:175.098:174.0789|175.098:203.0929:104.0495|104.0496:175.0979:77.0386|104.0495:77.0386:175.0979|175.0979:174.0789:106.0652;175.0977:203.0926:104.0494|104.0493:175.0976:77.0384|203.0925:175.0977:174.0787|175.0977:174.0787:106.065,Athens_Univ;CASMI_2016;Eawag;UFZ,EA005851|EA005852|EA005854|EA005855|EA005857|EA005858|EA005862|EA005864,[M-H]-,CID35|HCD15|HCD45|HCD60|HCD90|HCD15|HCD75|CID35,185.0594|201.0789|117.0345|117.0348|117.0346|201.0781|117.0343|185.0595,Eawag
100.050.303,255-351-4,41397-50-6,Tris(2-hydroxyethyl)ammonium hydrogen maleate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium hydrogen but-2-enedioate",OCC[NH+](CCO)CCO.[O-]C(=O)\\C=C/C(=O)[O-],OCC[NH+](CCO)CCO.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C6H15NO3.C4H4O4/c8-4-1-7(2-5-9)3-6-10;5-3(6)1-2-4(7)8/h8-10H,1-6H2;1-2H,(H,5,6)(H,7,8)/p-1",C6H15NO3.xC4H4O4,,,,,,AFNWOEJOULWFIS-BTJKTKAUSA-M,,,,,,,,,,,
100.050.305,255-354-0,41413-42-7,N-[2-[(2-aminoethyl)amino]ethyl]hexadecan-1-amide,N-{2-[(2-aminoethyl)amino]ethyl}hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCNCCN,CCCCCCCCCCCCCCCC(=O)NCCNCCN,"InChI=1/C20H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)23-19-18-22-17-16-21/h22H,2-19,21H2,1H3,(H,23,24)",C20H43N3O,,,,,,HTJWGYOCILDNSB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.114,256-244-5,45631-61-6,Butoxyoxirane,2-butoxyoxirane,CCCCOC1CO1,CCCCOC1CO1,"InChI=1/C6H12O2/c1-2-3-4-7-6-5-8-6/h6H,2-5H2,1H3",C6H12O2,,,,,,OZLNNOCQVCYYJA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.123,256-253-4,46118-95-0,[(4-methylpyrimidin-2-yl)thio]acetic acid,[(4-methylpyrimidin-2-yl)sulfanyl]acetic acid,Cc1ccnc(SCC(=O)O)n1,Cc1ccnc(SCC(=O)O)n1,"InChI=1/C7H8N2O2S/c1-5-2-3-8-7(9-5)12-4-6(10)11/h2-3H,4H2,1H3,(H,10,11)",C7H8N2O2S,,,,,,CGMJQRAIQBSTCC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.124,256-255-5,46142-17-0,"Bis(2-ethoxyethanolato-O,O')magnesium",magnesium bis(2-ethoxyethanolate),CCOCCO[Mg]OCCOCC,CCOCCO[Mg]OCCOCC,"InChI=1/2C4H9O2.Mg/c2*1-2-6-4-3-5;/h2*2-4H2,1H3;/q2*-1;+2/rC8H18MgO4/c1-3-10-5-7-12-9-13-8-6-11-4-2/h3-8H2,1-2H3",C8H18MgO4,,,,,,CVPGMAAATOZCID-UHFFFAOYSA-N,,,,,,,,,,,
100.052.753,258-048-5,52616-32-7,N6-(1-oxooctadecyl)-L-lysine,N~6~-stearoyl-L-lysine,CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O,"InChI=1/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29/h22H,2-21,25H2,1H3,(H,26,27)(H,28,29)",C24H48N2O3,,,,,,PQOQDGZTLPYXJD-QFIPXVFZSA-N,,,,,,,,,,,
100.048.061,252-882-3,36129-11-0,"[1S-(1a,2a,3a,5a)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol","2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol",CC1C(O)CC2CC1C2(C)C,CC1C(O)CC2CC1C2(C)C,"InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,REPVLJRCJUVQFA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.063,252-884-4,36139-34-1,Vanadium propan-2-olate,vanadium(2+) dipropan-2-olate,[V+2].CC(C)[O-].CC(C)[O-],[V+2].CC(C)[O-].CC(C)[O-],"InChI=1/2C3H7O.V/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2",C3H8O.xV,,,,,,VFSMBQSSLRWWLT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.065,252-887-0,36144-10-2,cis-octahydro-4a(2H)-naphthyl acetate,octahydronaphthalen-4a(2H)-yl acetate,CC(=O)O[C@@]12CCCC[C@@H]1CCCC2,CC(=O)O[C@@]12CCCC[C@@H]1CCCC2,"InChI=1/C12H20O2/c1-10(13)14-12-8-4-2-6-11(12)7-3-5-9-12/h11H,2-9H2,1H3",C12H20O2,,,,,,COHJFBQTCBAHIJ-HAQNSBGRSA-N,,,,,,,,,,,
100.048.066,252-888-6,36144-11-3,trans-octahydro-4a(2H)-naphthyl acetate,octahydronaphthalen-4a(2H)-yl acetate,CC(=O)O[C@@]12CCCC[C@H]1CCCC2,CC(=O)O[C@@]12CCCC[C@H]1CCCC2,"InChI=1/C12H20O2/c1-10(13)14-12-8-4-2-6-11(12)7-3-5-9-12/h11H,2-9H2,1H3",C12H20O2,,,,,,COHJFBQTCBAHIJ-TXEJJXNPSA-N,,,,,,,,,,,
100.048.067,252-889-1,36145-08-1,"O-(3-chloro-7-methylpyrazolo[1,5-a]pyrimidin-2-yl) O,O-diethyl thiophosphate","O-(3-chloro-7-methylpyrazolo[1,5-a]pyrimidin-2-yl) O,O-diethyl thiophosphate",CCOP(=S)(OCC)Oc1nn2c(C)ccnc2c1Cl,CCOP(=S)(OCC)Oc1nn2c(C)ccnc2c1Cl,"InChI=1/C11H15ClN3O3PS/c1-4-16-19(20,17-5-2)18-11-9(12)10-13-7-6-8(3)15(10)14-11/h6-7H,4-5H2,1-3H3",C11H15ClN3O3PS,,,,,,ZCMOTOWEBLMCEO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.068,252-890-7,36148-59-1,"4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium tetrachlorozincate","4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-N,N,N-trimethylanilinium tetrachlorozincate(2-)",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C.Cl[Zn-2](Cl)(Cl)Cl,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/C26H33N3.4ClH.Zn/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;;;;/h8-19H,1-7H3;4*1H;/q+2;;;;;+2/p-4/rC26H33N3.Cl4Zn/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;1-5(2,3)4/h8-19H,1-7H3;/q+2;-2",C26H33N3.Cl4Zn,,,,,,DFWNDZXBHVLQRA-UHFFFAOYSA-J,,,,,,,,,,,
100.048.079,252-903-6,36185-83-8,"N'-(2-cyanophenyl)-N,N-dimethylformamidine","N'-(2-cyanophenyl)-N,N-dimethylimidoformamide",CN(C)C=Nc1ccccc1C#N,CN(C)C=Nc1ccccc1C#N,"InChI=1/C10H11N3/c1-13(2)8-12-10-6-4-3-5-9(10)7-11/h3-6,8H,1-2H3",C10H11N3,,,,,,DZVOLCHPUOIJJV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.082,252-906-2,36195-33-2,p-formylphenyl methacrylate,4-formylphenyl methacrylate,CC(=C)C(=O)Oc1ccc(C=O)cc1,CC(=C)C(=O)Oc1ccc(C=O)cc1,"InChI=1/C11H10O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-7H,1H2,2H3",C11H10O3,,,,,,NBKFKDJHUNQQKY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.084,252-908-3,36198-87-5,Dimethyl trimethylsilyl phosphite,dimethyl trimethylsilyl phosphite,COP(OC)O[Si](C)(C)C,COP(OC)O[Si](C)(C)C,"InChI=1/C5H15O3PSi/c1-6-9(7-2)8-10(3,4)5/h1-5H3",C5H15O3PSi,,,,,,HWMXPTIFAGBDIK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.088,252-913-0,36208-33-0,"(1a,2a,4ß)-4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde",4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,CC(C)[C@]12CC[C@@](C)(C=C1)[C@@H](C2)C=O,CC(C)[C@]12CC[C@@](C)(C=C1)[C@@H](C2)C=O,"InChI=1/C13H20O/c1-10(2)13-6-4-12(3,5-7-13)11(8-13)9-14/h4,6,9-11H,5,7-8H2,1-3H3",C13H20O,,,,,,LXYNULJSTVMWAJ-XQQFMLRXSA-N,,,,,,,,,,,
100.048.095,252-920-9,36215-85-7,"2,4,6-tris(1-methyloctyl)phenol","2,4,6-tris(1-methyloctyl)phenol",CCCCCCCC(C)c1cc(C(C)CCCCCCC)c(O)c(c1)C(C)CCCCCCC,CCCCCCCC(C)c1cc(C(C)CCCCCCC)c(O)c(c1)C(C)CCCCCCC,"InChI=1/C33H60O/c1-7-10-13-16-19-22-27(4)30-25-31(28(5)23-20-17-14-11-8-2)33(34)32(26-30)29(6)24-21-18-15-12-9-3/h25-29,34H,7-24H2,1-6H3",C33H60O,,,,,,UQGUWEYJHWNXTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.609,258-989-1,54135-60-3,"2,2'-methylenebis[cyclohexane-1,3-dione]","2,2'-methylenedicyclohexane-1,3-dione",O=C1CCCC(=O)C1CC2C(=O)CCCC2=O,O=C1CCCC(=O)C1CC2C(=O)CCCC2=O,"InChI=1/C13H16O4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h8-9H,1-7H2",C13H16O4,,,,,,ILUMEPMGPCKGHH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.611,258-991-2,54139-41-2,"6-(diethylamino)-N,N,N',N'-tetraethyl-1,3,5-triazine-2,4-disulphenamide","4,6-bis[(diethylamino)sulfanyl]-N,N-diethyl-1,3,5-triazin-2-amine",CCN(CC)Sc1nc(SN(CC)CC)nc(n1)N(CC)CC,CCN(CC)Sc1nc(SN(CC)CC)nc(n1)N(CC)CC,"InChI=1/C15H30N6S2/c1-7-19(8-2)13-16-14(22-20(9-3)10-4)18-15(17-13)23-21(11-5)12-6/h7-12H2,1-6H3",C15H30N6S2,,,,,,ZYBAGQCVSXPOAL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.613,258-993-3,54140-17-9,Trimethylhexyl formate,"1,1,2-trimethylhexyl formate",CCCCC(C)C(C)(C)OC=O,CCCCC(C)C(C)(C)OC=O,"InChI=1/C10H20O2/c1-5-6-7-9(2)10(3,4)12-8-11/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,PIVRMVYQHOUADC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.619,259-000-6,54149-17-6,"1-bromo-3,6-dioxaheptane",1-bromo-2-(2-methoxyethoxy)ethane,COCCOCCBr,COCCOCCBr,"InChI=1/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3",C5H11BrO2,,,,,,HUXJXNSHCKHFIL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.622,259-003-2,54163-66-5,Disodium octenylsuccinate,disodium 2-oct-1-en-1-ylsuccinate,[Na+].[Na+].[O-]C(=O)CC(C=CCCCCCC)C([O-])=O,[Na+].[Na+].[O-]C(=O)CC(C=CCCCCCC)C([O-])=O,"InChI=1/C12H20O4.2Na/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;;/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16);;/q;2*+1/p-2",C12H20O4.2Na,,,,,,VTTZNHFOGZURNY-UHFFFAOYSA-L,,,,,,,,,,,
100.053.623,259-004-8,54164-87-3,"(1a,3a,6a)-a,a,6-trimethyl-7-oxabicyclo[4.1.0]heptane-3-methanol",2-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)propan-2-ol,CC(C)(O)[C@@H]1CC[C@@]2(C)O[C@H]2C1,CC(C)(O)[C@@H]1CC[C@@]2(C)O[C@H]2C1,"InChI=1/C10H18O2/c1-9(2,11)7-4-5-10(3)8(6-7)12-10/h7-8,11H,4-6H2,1-3H3",C10H18O2,,,,,,HSMACHQZLSQBIN-KHQFGBGNSA-N,,,,,,,,,,,
100.049.002,253-921-7,38418-10-9,p-methylbenzyl benzoate,4-methylbenzyl benzoate,Cc1ccc(COC(=O)c2ccccc2)cc1,Cc1ccc(COC(=O)c2ccccc2)cc1,"InChI=1/C15H14O2/c1-12-7-9-13(10-8-12)11-17-15(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3",C15H14O2,,,,,,VHSYVZKRJCCJMK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.003,253-922-2,38421-40-8,"1,3,5,7-tetramethyl-1,1,3,5,7,7-hexaphenyltetrasiloxane","1,3,5,7-tetramethyl-1,1,3,5,7,7-hexaphenyltetrasiloxane",C[Si](O[Si](C)(O[Si](C)(c1ccccc1)c2ccccc2)c3ccccc3)(O[Si](C)(c4ccccc4)c5ccccc5)c6ccccc6,C[Si](O[Si](C)(O[Si](C)(c1ccccc1)c2ccccc2)c3ccccc3)(O[Si](C)(c4ccccc4)c5ccccc5)c6ccccc6,"InChI=1/C40H42O3Si4/c1-44(35-23-11-5-12-24-35,36-25-13-6-14-26-36)41-46(3,39-31-19-9-20-32-39)43-47(4,40-33-21-10-22-34-40)42-45(2,37-27-15-7-16-28-37)38-29-17-8-18-30-38/h5-34H,1-4H3",C40H42O3Si4,,,,,,XQVNZAVBAUQQHU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.005,253-924-3,38425-26-2,4-chloro-4'-methylbutyrophenone,4-chloro-1-(4-methylphenyl)butan-1-one,Cc1ccc(cc1)C(=O)CCCCl,Cc1ccc(cc1)C(=O)CCCCl,"InChI=1/C11H13ClO/c1-9-4-6-10(7-5-9)11(13)3-2-8-12/h4-7H,2-3,8H2,1H3",C11H13ClO,,,,,,FUHGFUBJUUFMSF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.006,253-925-9,38428-14-7,Isobutyl 2-isobutoxy-2H-quinoline-1-carboxylate,isobutyl 2-isobutoxyquinoline-1(2H)-carboxylate,CC(C)COC1C=Cc2ccccc2N1C(=O)OCC(C)C,CC(C)COC1C=Cc2ccccc2N1C(=O)OCC(C)C,"InChI=1/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3",C18H25NO3,,,,,,LPBHYOYZZIFCQT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.011,253-931-1,38439-33-7,"4-methylpyridine-2,6-diamine","4-methylpyridine-2,6-diamine",Cc1cc(N)nc(N)c1,Cc1cc(N)nc(N)c1,"InChI=1/C6H9N3/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3,(H4,7,8,9)",C6H9N3,,,,,,HUQGLWLBOCSVMD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.015,253-935-3,38446-21-8,Ethyl 2-(ethylamino)benzoate,ethyl 2-(ethylamino)benzoate,CCNc1ccccc1C(=O)OCC,CCNc1ccccc1C(=O)OCC,"InChI=1/C11H15NO2/c1-3-12-10-8-6-5-7-9(10)11(13)14-4-2/h5-8,12H,3-4H2,1-2H3",C11H15NO2,,,,,,VKRBJLSSQUIOHL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.017,253-937-4,38449-49-9,"Ethyl 2,3-dihydro-2-thioxothiazol-4-acetate","ethyl (2-thioxo-2,3-dihydro-1,3-thiazol-4-yl)acetate",CCOC(=O)CC1=CSC(=S)N1,CCOC(=O)CC1=CSC(=S)N1,"InChI=1/C7H9NO2S2/c1-2-10-6(9)3-5-4-12-7(11)8-5/h4H,2-3H2,1H3,(H,8,11)",C7H9NO2S2,,,,,,ZIXKPHHHPPZJFK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.021,253-942-1,38452-47-0,"1,2-dichloro-4-(methylsulphonyl)benzene","1,2-dichloro-4-(methylsulfonyl)benzene",CS(=O)(=O)c1ccc(Cl)c(Cl)c1,CS(=O)(=O)c1ccc(Cl)c(Cl)c1,"InChI=1/C7H6Cl2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3",C7H6Cl2O2S,,,,,,DNWUINQASFDJJS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.882,258-189-2,52793-11-0,5'-chloro-2'-methoxyacetoacetanilide,N-[5-chloro-2-(methoxyacetyl)phenyl]acetamide,COCC(=O)c1ccc(Cl)cc1NC(=O)C,COCC(=O)c1ccc(Cl)cc1NC(=O)C,"InChI=1/C11H12ClNO3/c1-7(14)13-10-5-8(12)3-4-9(10)11(15)6-16-2/h3-5H,6H2,1-2H3,(H,13,14)",C11H12ClNO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12637,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.882,IVLPMGOAAVHAJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.059.578,265-555-5,65151-80-6,"Octadecyl dihydrogen phosphate, compound with morpholine (1:2)",octadecyl dihydrogen phosphate - morpholine (1:2),CCCCCCCCCCCCCCCCCCOP(=O)(O)O.C1COCCN1.C2COCCN2,CCCCCCCCCCCCCCCCCCOP(=O)(O)O.C1COCCN1.C2COCCN2,"InChI=1/C18H39O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;2*1-3-6-4-2-5-1/h2-18H2,1H3,(H2,19,20,21);2*5H,1-4H2",C18H39O4P.2C4H9NO,,,,,,USOLOWNPPGJNGV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.579,265-556-0,65151-82-8,Cyclohexyldiethylammonium octadecyl sulphate,"N,N-diethylcyclohexanaminium octadecyl sulfate",CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1,"InChI=1/C18H38O4S.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-11(4-2)10-8-6-5-7-9-10/h2-18H2,1H3,(H,19,20,21);10H,3-9H2,1-2H3",C18H38O4S.C10H21N,,,,,,IFZMLCRPBDKLQL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.581,265-558-1,65151-85-1,"Octyl dihydrogen phosphate, compound with morpholine (1:1)",octyl dihydrogen phosphate - morpholine (1:1),CCCCCCCCOP(=O)(O)O.C1COCCN1,CCCCCCCCOP(=O)(O)O.C1COCCN1,"InChI=1/C8H19O4P.C4H9NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3-6-4-2-5-1/h2-8H2,1H3,(H2,9,10,11);5H,1-4H2",C8H19O4P.C4H9NO,,,,,,SRRAJIMIBLFWNS-UHFFFAOYSA-N,,,,,,,,,,,
100.059.584,265-561-8,65151-91-9,Hexadecenyl dihydrogen phosphate,hexadec-1-en-1-yl dihydrogen phosphate,OP(=O)(O)OC=CCCCCCCCCCCCCCC,OP(=O)(O)OC=CCCCCCCCCCCCCCC,"InChI=1/C16H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h15-16H,2-14H2,1H3,(H2,17,18,19)",C16H33O4P,,,,,,BDRBWWXJFWOLSI-UHFFFAOYSA-N,,,,,,,,,,,
100.059.587,265-564-4,65152-04-7,"1,1,3,3-tetramethyl-2-nitrosobutyl nitrate","1,1,3,3-tetramethyl-2-nitrosobutyl nitrate",CC(C)(C)C(N=O)C(C)(C)O[N+](=O)[O-],CC(C)(C)C(N=O)C(C)(C)O[N+](=O)[O-],"InChI=1/C8H16N2O4/c1-7(2,3)6(9-11)8(4,5)14-10(12)13/h6H,1-5H3",C8H16N2O4,,,,,,HURYWNGDZHVCPR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.601,267-782-5,67923-65-3,"Sodium 2,5-dichloro-4-[4,5-dihydro-3-methyl-4-[[4-[(p-tolylsulphonyl)oxy]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-{3-methyl-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O,[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O,"InChI=1/C23H18Cl2N4O7S2.Na/c1-13-3-9-17(10-4-13)38(34,35)36-16-7-5-15(6-8-16)26-27-22-14(2)28-29(23(22)30)20-11-19(25)21(12-18(20)24)37(31,32)33;/h3-12,22H,1-2H3,(H,31,32,33);/q;+1/p-1",C23H18Cl2N4O7S2.Na,,,,,,BEZDDGZIPYRWAX-UHFFFAOYSA-M,,,,,,,,,,,
100.061.602,267-783-0,67923-76-6,[carbonylbis[nitrilobis(methylene)]]tetrakisphosphonic acid,({[bis(phosphonomethyl)carbamoyl](phosphonomethyl)amino}methyl)phosphonic acid,OP(=O)(O)CN(CP(=O)(O)O)C(=O)N(CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CP(=O)(O)O)C(=O)N(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C5H16N2O13P4/c8-5(6(1-21(9,10)11)2-22(12,13)14)7(3-23(15,16)17)4-24(18,19)20/h1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)",C5H16N2O13P4,,,,,,QVOBKEISBGYEOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.061.603,267-784-6,67923-77-7,"Oleic acid, compound with 2-(diethylamino)ethanol (1:1)",octadec-9-enoic acid - 2-(diethylamino)ethanol (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCN(CC)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCN(CC)CCO,"InChI=1/C18H34O2.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7(4-2)5-6-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);8H,3-6H2,1-2H3",C18H34O2.C6H15NO,,,,,,VIWSULSDRVLYMN-KVVVOXFISA-N,,,,,,,,,,,
100.061.613,267-795-6,67923-90-4,Ammonium 2-[2-[2-(decyloxy)ethoxy]ethoxy]ethyl sulphate,ammonium 2-{2-[2-(decyloxy)ethoxy]ethoxy}ethyl sulfate,[NH4+].CCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C16H34O7S.H3N/c1-2-3-4-5-6-7-8-9-10-20-11-12-21-13-14-22-15-16-23-24(17,18)19;/h2-16H2,1H3,(H,17,18,19);1H3",C16H34O7S.H3N,,,,,,ANALXOGYVHELHY-UHFFFAOYSA-N,,,,,,,,,,,
100.061.616,267-798-2,67924-13-4,Methyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate,methyl 2-[(2-benzylideneoctylidene)amino]benzoate,COC(=O)c2ccccc2N=CC(=Cc1ccccc1)CCCCCC,COC(=O)c2ccccc2N=CC(=Cc1ccccc1)CCCCCC,"InChI=1/C23H27NO2/c1-3-4-5-7-14-20(17-19-12-8-6-9-13-19)18-24-22-16-11-10-15-21(22)23(25)26-2/h6,8-13,15-18H,3-5,7,14H2,1-2H3",C23H27NO2,,,,,,XTFDJRLNMKZPCR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.617,267-799-8,67924-14-5,Methyl 2-(dodecylideneamino)benzoate,methyl 2-(dodecylideneamino)benzoate,COC(=O)c1ccccc1N=CCCCCCCCCCCC,COC(=O)c1ccccc1N=CCCCCCCCCCCC,"InChI=1/C20H31NO2/c1-3-4-5-6-7-8-9-10-11-14-17-21-19-16-13-12-15-18(19)20(22)23-2/h12-13,15-17H,3-11,14H2,1-2H3",C20H31NO2,,,,,,SQTIJQJOTPMGND-UHFFFAOYSA-N,,,,,,,,,,,
100.056.260,261-906-1,59742-87-9,"4-amino-6-tert-butyl-3,4-dihydro-3-mercapto-1,2,4-triazin-5(2H)-one","4-amino-6-tert-butyl-3-sulfanyl-3,4-dihydro-1,2,4-triazin-5(2H)-one",CC(C)(C)C1=NNC(S)N(N)C1=O,CC(C)(C)C1=NNC(S)N(N)C1=O,"InChI=1/C7H14N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h6,10,13H,8H2,1-3H3",C7H14N4OS,,,,,,UEEQZFBEGRGQGN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.309,255-358-2,41424-11-7,"4'-(hexyloxy)[1,1'-biphenyl]-4-carbonitrile",4'-(hexyloxy)biphenyl-4-carbonitrile,CCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3",C19H21NO,,,,,,YUYXUPYNSOFWFV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.313,255-362-4,41430-70-0,Ethyl perfluoroheptanoate,ethyl tridecafluoroheptanoate,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H5F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3",C9H5F13O2,,,,,,ZESCSNXJAROIJS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.320,255-370-8,41450-78-6,"1,3-diethyl-2-methyl-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate","1,3-diethyl-2-methyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-1-ium 4-methylbenzenesulfonate",CCN1C(C)[NH+](CC)c2nc3ccccc3nc12.Cc4ccc(cc4)S(=O)(=O)[O-],CCN1C(C)[NH+](CC)c2nc3ccccc3nc12.Cc4ccc(cc4)S(=O)(=O)[O-],"InChI=1/C14H18N4.C7H8O3S/c1-4-17-10(3)18(5-2)14-13(17)15-11-8-6-7-9-12(11)16-14;1-6-2-4-7(5-3-6)11(8,9)10/h6-10H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)",C14H17N4.C7H7O3S,,,,,,JFURRASTIUWPPG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.321,255-371-3,41450-85-5,"2,3-dihydro-1,3,3-trimethyl-2-methylene-1H-pyrrolo[2,3-b]pyridine","1,3,3-trimethyl-2-methylene-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine",CN1C(=C)C(C)(C)c2cccnc12,CN1C(=C)C(C)(C)c2cccnc12,"InChI=1/C11H14N2/c1-8-11(2,3)9-6-5-7-12-10(9)13(8)4/h5-7H,1H2,2-4H3",C11H14N2,,,,,,NGFQLLYOAHLAJX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.325,255-376-0,41453-56-9,(Z)-non-2-en-1-ol,non-2-en-1-ol,CCCCCC\\C=C/CO,CCCCCC\C=C/CO,"InChI=1/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3",C9H18O,,,,,,NSSALFVIQPAIQK-FPLPWBNLSA-N,,,,,,,,,,,
100.050.326,255-377-6,41453-57-0,(Z)-non-2-enyl acetate,non-2-en-1-yl acetate,CCCCCC\\C=C/COC(=O)C,CCCCCC\C=C/COC(=O)C,"InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-7,10H2,1-2H3",C11H20O2,,,,,,WFCCNPHGLLPSDJ-HJWRWDBZSA-N,,,,,,,,,,,
100.050.328,255-379-7,41453-79-6,"4,4,13,13-tetraethoxy-3,14-dioxa-7,8,9,10-tetrathia-4,13-disilahexadecane","4,4,13,13-tetraethoxy-3,14-dioxa-7,8,9,10-tetrathia-4,13-disilahexadecane",CCO[Si](CCSSSSCC[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CCSSSSCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C16H38O6S4Si2/c1-7-17-27(18-8-2,19-9-3)15-13-23-25-26-24-14-16-28(20-10-4,21-11-5)22-12-6/h7-16H2,1-6H3",C16H38O6S4Si2,,,,,,ASAOXGWSIOQTDI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.092,257-320-0,51609-06-4,N-tert-butylcyclohexylamine,N-tert-butylcyclohexanamine,CC(C)(C)NC1CCCCC1,CC(C)(C)NC1CCCCC1,"InChI=1/C10H21N/c1-10(2,3)11-9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3",C10H21N,,,,,,MTEWAFVECQBILW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.096,257-324-2,51627-14-6,Cefatrizine,"7-{[amino(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(1H-1,2,3-triazol-4-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3c[nH]nn3)c4ccc(O)cc4,N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3c[nH]nn3)c4ccc(O)cc4,"InChI=1/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)",C18H18N6O5S2,,,,,,UOCJDOLVGGIYIQ-PBFPGSCMSA-N,,,,,,,,,,,
100.052.100,257-328-4,51632-39-4,Ethyl a-ethyl-1-hydroxycyclohexaneacetate,ethyl 2-(1-hydroxycyclohexyl)butanoate,CCOC(=O)C(CC)C1(O)CCCCC1,CCOC(=O)C(CC)C1(O)CCCCC1,"InChI=1/C12H22O3/c1-3-10(11(13)15-4-2)12(14)8-6-5-7-9-12/h10,14H,3-9H2,1-2H3",C12H22O3,,,,,,CPCOUDFALHSPMH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.101,257-330-5,51637-93-5,Octadecyl chloroformate,octadecyl chlorocarbonate,CCCCCCCCCCCCCCCCCCOC(=O)Cl,CCCCCCCCCCCCCCCCCCOC(=O)Cl,"InChI=1/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h2-18H2,1H3",C19H37ClO2,,,,,,JQDURWGNZCVESS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.105,257-334-7,51649-83-3,"6-amino-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6-amino-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Nc1ccc2C(=O)OC3(c4ccc(O)cc4Oc5cc(O)ccc35)c2c1,Nc1ccc2C(=O)OC3(c4ccc(O)cc4Oc5cc(O)ccc35)c2c1,"InChI=1/C20H13NO5/c21-10-1-4-13-16(7-10)20(26-19(13)24)14-5-2-11(22)8-17(14)25-18-9-12(23)3-6-15(18)20/h1-9,22-23H,21H2",C20H13NO5,,,,,,YOAWSYSKQHLFPM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.109,257-338-9,51656-57-6,"2-[(2-nitrophenyl)azo]-4-(1,1,3,3-tetramethylbutyl)phenol","2-[(2-nitrophenyl)diazenyl]-4-(1,1,3,3-tetramethylbutyl)phenol",Oc2ccc(cc2N=Nc1ccccc1[N+]([O-])=O)C(C)(C)CC(C)(C)C,Oc2ccc(cc2N=Nc1ccccc1[N+]([O-])=O)C(C)(C)CC(C)(C)C,"InChI=1/C20H25N3O3/c1-19(2,3)13-20(4,5)14-10-11-18(24)16(12-14)22-21-15-8-6-7-9-17(15)23(25)26/h6-12,24H,13H2,1-5H3",C20H25N3O3,,,,,,HOWCUYQDKCPWDV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.117,257-347-8,51685-40-6,"(+)-1,5-dimethyl-1-vinylhex-4-enyl acetate","1,5-dimethyl-1-vinylhex-4-en-1-yl acetate",CC(=CCCC(C)(OC(=O)C)C=C)C,CC(=CCCC(C)(OC(=O)C)C=C)C,"InChI=1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",C12H20O2,,,,,,UWKAYLJWKGQEPM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.273,254-219-3,38954-75-5,[(tetradecyloxy)methyl]oxirane,2-[(tetradecyloxy)methyl]oxirane,CCCCCCCCCCCCCCOCC1CO1,CCCCCCCCCCCCCCOCC1CO1,"InChI=1/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17/h17H,2-16H2,1H3",C17H34O2,,,,,,NVKSMKFBUGBIGE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.274,254-220-9,38957-41-4,Emorfazone,4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3(2H)-one,CCOC1=C(C=NN(C)C1=O)N2CCOCC2,CCOC1=C(C=NN(C)C1=O)N2CCOCC2,"InChI=1/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3",C11H17N3O3,,,,,,URJQOOISAKEBKW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.278,254-225-6,38965-51-4,"(S)-2-(3,4-dihydroxyphenyl)-7-(ß-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one","2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2",C21H22O11,,,,,,RAFHNDRXYHOLSH-SFTVRKLSSA-N,,,,,,,,,,,
100.049.288,254-236-6,38984-68-8,"2,2-dimethylthiazolidine-4-carboxylic acid hydrochloride","2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid hydrochloride",Cl.CC1(C)NC(CS1)C(=O)O,Cl.CC1(C)NC(CS1)C(=O)O,"InChI=1/C6H11NO2S.ClH/c1-6(2)7-4(3-10-6)5(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H",C6H11NO2S.ClH,,,,,,HQMDAVFIGRLKQG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.290,254-238-7,38986-44-6,"2-methyl-2-nonyl-1,3-dioxolane","2-methyl-2-nonyl-1,3-dioxolane",CCCCCCCCCC1(C)OCCO1,CCCCCCCCCC1(C)OCCO1,"InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-13(2)14-11-12-15-13/h3-12H2,1-2H3",C13H26O2,,,,,,VMEIDKJDTJZURE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.297,254-246-0,39007-81-3,"17,21-dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate","17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C,CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C37H56O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h20,22,24,29-30,34,42H,4-19,21,23,25-26H2,1-3H3",C37H56O6,,,,,,NVYPOGVSAYIAHI-DEOBSOAFSA-N,,,,,,,,,,,
100.049.298,254-247-6,39012-20-9,"ß-d-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, [1aS-(1aa,1bß,2ß,5aß,6ß,6aa)]-","2-(hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxy-3-methoxybenzoate",COc1cc(ccc1O)C(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C5(CO)OC25,COc1cc(ccc1O)C(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C5(CO)OC25,"InChI=1/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3",C23H28O13,,,,,,AKNILCMFRRDTEY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.304,254-253-9,39026-34-1,"4,4'-methylenebis(3-methoxynaphthalene-2-carbonyl chloride)","4,4'-methylenebis(3-methoxy-2-naphthoyl chloride)",COc1c(Cc2c(OC)c(cc3ccccc23)C(=O)Cl)c4ccccc4cc1C(=O)Cl,COc1c(Cc2c(OC)c(cc3ccccc23)C(=O)Cl)c4ccccc4cc1C(=O)Cl,"InChI=1/C25H18Cl2O4/c1-30-22-18(16-9-5-3-7-14(16)11-20(22)24(26)28)13-19-17-10-6-4-8-15(17)12-21(25(27)29)23(19)31-2/h3-12H,13H2,1-2H3",C25H18Cl2O4,,,,,,LFAUJRVUXMMOGY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.305,254-254-4,39026-39-6,"9-fluoro-11ß,17-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-(9Z,12Z)-octadeca-9,12-dienoate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl octadeca-9,12-dienoate",CCCCCC=CCC=CCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,CCCCCC=CCC=CCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,"InChI=1/C40H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36(45)47-28-35(44)40(46)29(2)25-33-32-22-21-30-26-31(42)23-24-37(30,3)39(32,41)34(43)27-38(33,40)4/h9-10,12-13,23-24,26,29,32-34,43,46H,5-8,11,14-22,25,27-28H2,1-4H3",C40H59FO6,,,,,,JCTITVWENFVLBV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.458,256-623-5,50543-78-7,"2,5-dibutoxy-4-(morpholin-4-yl)benzenediazonium tetrafluoroborate","2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate",CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.F[B-](F)(F)F,CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.F[B-](F)(F)F,"InChI=1/C18H28N3O3.BF4/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;2-1(3,4)5/h13-14H,3-12H2,1-2H3;/q+1;-1",C18H28N3O3.BF4,,,,,,KTLYRPBETGHXQC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.460,256-625-6,50563-36-5,"2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide","2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide",COCCN(C(=O)CCl)c1c(C)cccc1C,COCCN(C(=O)CCl)c1c(C)cccc1C,"InChI=1/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3",C13H18ClNO2,,,,,,SCCDDNKJYDZXMM-UHFFFAOYSA-N,Positive,AU339001|AU339002|AU339003|AU339004|AU339005;SM839501;EA070701|EA070702|EA070703|EA070704|EA070705|EA070706|EA070707|EA070708|EA070709|EA070710|EA070711|EA070712|EA070713|EA070714,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,224.0837:256.11:226.0807|224.0837:226.0807:148.1109|148.1112:224.0837:226.0807|148.1113:133.0874:224.0825|148.111:133.0871:118.0643;224.0836:148.112:256.1098;224.084|224.084:256.1102|224.0839:256.1098:148.1121|224.0839:148.1122:132.0808|148.1122:224.0836:132.0808|148.1122:105.0699:132.0809|148.1122:105.0699:132.0809|224.0838:256.11:173.0152|224.0838:256.1103:148.1121|224.0838:148.1122:132.0807|148.1122:224.0839:132.0808|148.1122:105.07:132.0808|148.1121:105.0699:132.0808|224.0838,Athens_Univ;CASMI_2016;Eawag,,,,,
100.051.467,256-632-4,50594-44-0,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl acetate,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl acetate,CC(=O)Oc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],CC(=O)Oc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],"InChI=1/C15H9ClF3NO5/c1-8(21)24-14-7-10(3-4-12(14)20(22)23)25-13-5-2-9(6-11(13)16)15(17,18)19/h2-7H,1H3",C15H9ClF3NO5,,,,,,PSWSPFSDVZVVDC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.886,258-193-4,52794-79-3,"N,N-bis(2-hydroxyethyl)isooctadecan-1-amide","N,N-bis(2-hydroxyethyl)-16-methylheptadecanamide",CC(C)CCCCCCCCCCCCCCC(=O)N(CCO)CCO,CC(C)CCCCCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C22H45NO3/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)23(17-19-24)18-20-25/h21,24-25H,3-20H2,1-2H3",C22H45NO3,,,,,,XHUUHJFOYQREKL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.888,258-196-0,52797-93-0,Tris(chloropropyl) thiophosphate,"O,O,S-tris(1-chloropropyl) thiophosphate",CCC(Cl)OP(=O)(OC(Cl)CC)SC(Cl)CC,CCC(Cl)OP(=O)(OC(Cl)CC)SC(Cl)CC,"InChI=1/C9H18Cl3O3PS/c1-4-7(10)14-16(13,15-8(11)5-2)17-9(12)6-3/h7-9H,4-6H2,1-3H3",C9H18Cl3O3PS,,,,,,RDWHYSXBTYVMND-UHFFFAOYSA-N,,,,,,,,,,,
100.052.892,258-200-0,52814-38-7,2-[2-(tetrahydrofurfuryloxy)ethoxy]ethanol,2-[2-(tetrahydrofuran-2-ylmethoxy)ethoxy]ethanol,OCCOCCOCC1CCCO1,OCCOCCOCC1CCCO1,"InChI=1/C9H18O4/c10-3-5-11-6-7-12-8-9-2-1-4-13-9/h9-10H,1-8H2",C9H18O4,,,,,,XOTDXFVGTLWKLI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.893,258-201-6,52814-39-8,Metesculetol,[(7-hydroxy-4-methyl-2-oxo-2H-chromen-6-yl)oxy]acetic acid,CC1=CC(=O)Oc2cc(O)c(OCC(=O)O)cc12,CC1=CC(=O)Oc2cc(O)c(OCC(=O)O)cc12,"InChI=1/C12H10O6/c1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h2-4,13H,5H2,1H3,(H,14,15)",C12H10O6,,,,,,VVDLFTOOMLZFRO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.896,258-204-2,52821-30-4,(dodecylsulphonyl)acetonitrile,(dodecylsulfonyl)acetonitrile,CCCCCCCCCCCCS(=O)(=O)CC#N,CCCCCCCCCCCCS(=O)(=O)CC#N,"InChI=1/C14H27NO2S/c1-2-3-4-5-6-7-8-9-10-11-13-18(16,17)14-12-15/h2-11,13-14H2,1H3",C14H27NO2S,,,,,,BHYJQQBWODSXQS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.909,258-218-9,52842-34-9,"cis-1-(2,2,6-trimethylcyclohexyl)ethanone","1-(2,2,6-trimethylcyclohexyl)ethanone",CC1CCCC(C)(C)C1C(=O)C,CC1CCCC(C)(C)C1C(=O)C,"InChI=1/C11H20O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h8,10H,5-7H2,1-4H3",C11H20O,,,,,,LGEFCQRTSXYJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.911,258-221-5,52846-56-7,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(4-nitrophenyl)azo]-3-oxobutyramide","2-[(4-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",[O-][N+](=O)c1ccc(cc1)N=NC(C(C)=O)C(=O)Nc2ccc3NC(=O)Nc3c2,[O-][N+](=O)c1ccc(cc1)N=NC(C(C)=O)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C17H14N6O5/c1-9(24)15(22-21-10-2-5-12(6-3-10)23(27)28)16(25)18-11-4-7-13-14(8-11)20-17(26)19-13/h2-8,15H,1H3,(H,18,25)(H2,19,20,26)",C17H14N6O5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10457,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.911,HXXOOSWHCMYQQV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.915,258-225-7,52857-30-4,Benzyl-p-cresol,2-benzyl-4-methylphenol,Cc1ccc(O)c(Cc2ccccc2)c1,Cc1ccc(O)c(Cc2ccccc2)c1,"InChI=1/C14H14O/c1-11-7-8-14(15)13(9-11)10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3",C14H14O,,,,,,WGIJGSLQJSMKAH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.916,258-226-2,52868-49-2,Ethyl N-[5-(acetylamino)-2-methoxyphenyl]-ß-alaninate,ethyl N-(5-acetamido-2-methoxyphenyl)-beta-alaninate,CCOC(=O)CCNc1cc(NC(=O)C)ccc1OC,CCOC(=O)CCNc1cc(NC(=O)C)ccc1OC,"InChI=1/C14H20N2O4/c1-4-20-14(18)7-8-15-12-9-11(16-10(2)17)5-6-13(12)19-3/h5-6,9,15H,4,7-8H2,1-3H3,(H,16,17)",C14H20N2O4,,,,,,NVGTWNRISAWCBH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.923,258-234-6,52884-86-3,"(1E,3E)-2-methylbuta-1,3-diene-1,4-diyl diacetate","2-methylbuta-1,3-diene-1,4-diyl diacetate",CC(=O)O\\C=C\\C(=C\\OC(=O)C)\\C,CC(=O)O\C=C\C(=C\OC(=O)C)\C,"InChI=1/C9H12O4/c1-7(6-13-9(3)11)4-5-12-8(2)10/h4-6H,1-3H3",C9H12O4,,,,,,GJTMBEFCTBJFIH-YTXTXJHMSA-N,,,,,,,,,,,
100.048.745,253-638-9,37717-21-8,Flurocitabine,"7-fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol",OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=N)C(=CN23)F)[C@@H]1O,OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=N)C(=CN23)F)[C@@H]1O,"InChI=1/C9H10FN3O4/c10-3-1-13-8-6(5(15)4(2-14)16-8)17-9(13)12-7(3)11/h1,4-6,8,11,14-15H,2H2",C9H10FN3O4,,,,,,PAYBYKKERMGTSS-MNCSTQPFSA-N,,,,,,,,,,,
100.048.748,253-642-0,37721-71-4,"2,4,6-tribromophenyl methacrylate","2,4,6-tribromophenyl methacrylate",CC(=C)C(=O)Oc1c(Br)cc(Br)cc1Br,CC(=C)C(=O)Oc1c(Br)cc(Br)cc1Br,"InChI=1/C10H7Br3O2/c1-5(2)10(14)15-9-7(12)3-6(11)4-8(9)13/h3-4H,1H2,2H3",C10H7Br3O2,,,,,,HAYWJKBZHDIUPU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.253,255-297-1,41294-56-8,Alfacalcidol,"9,10-secocholesta-5,7,10-triene-1,3-diol",C=C3[C@@H](O)C[C@H](O)CC3=CC=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C,C=C3[C@@H](O)C[C@H](O)CC3=CC=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C,"InChI=1/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3",C27H44O2,,,,,,OFHCOWSQAMBJIW-HBHUAMBYSA-N,,,,,,,,,,,
100.050.258,255-302-7,41295-98-1,"Sodium 2,5-dichlorosulphanilate","sodium 4-amino-2,5-dichlorobenzenesulfonate",[Na+].Nc1cc(Cl)c(cc1Cl)S(=O)(=O)[O-],[Na+].Nc1cc(Cl)c(cc1Cl)S(=O)(=O)[O-],"InChI=1/C6H5Cl2NO3S.Na/c7-3-2-6(13(10,11)12)4(8)1-5(3)9;/h1-2H,9H2,(H,10,11,12);/q;+1/p-1",C6H5Cl2NO3S.Na,,,,,,MOJYHTGMAPQZMC-UHFFFAOYSA-M,,,,,,,,,,,
100.050.260,255-304-8,41301-84-2,(Z)-oct-5-en-1-yne,oct-5-en-1-yne,CC\\C=C/CCC#C,CC\C=C/CCC#C,"InChI=1/C8H12/c1-3-5-7-8-6-4-2/h1,6,8H,4-5,7H2,2H3",C8H12,,,,,,AQVJJJCTUUAYPG-VURMDHGXSA-N,,,,,,,,,,,
100.050.262,255-306-9,41302-34-5,Methyl 2-oxocyclohexanecarboxylate,methyl 2-oxocyclohexanecarboxylate,COC(=O)C1CCCCC1=O,COC(=O)C1CCCCC1=O,"InChI=1/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H3",C8H12O3,,,,,,JEENWEAPRWGXSG-UHFFFAOYSA-N,,,,,,,,,,,
100.056.261,261-907-7,59743-88-3,"10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4.5]cyclohepta[1,2-b]thiophene-4-ol","10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol",COC1=Cc2ccccc2C(O)(C3CCN(C)CC3)c4ccsc14,COC1=Cc2ccccc2C(O)(C3CCN(C)CC3)c4ccsc14,"InChI=1/C20H23NO2S/c1-21-10-7-15(8-11-21)20(22)16-6-4-3-5-14(16)13-18(23-2)19-17(20)9-12-24-19/h3-6,9,12-13,15,22H,7-8,10-11H2,1-2H3",C20H23NO2S,,,,,,AAYKXJAFSKIHRK-UHFFFAOYSA-N,,,,,,,,,,,
100.056.263,261-909-8,59748-32-2,"4'-propyl[1,1'-biphenyl]-4-yl 4-butylbenzoate",4'-propylbiphenyl-4-yl 4-butylbenzoate,CCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)c3ccc(CCC)cc3,CCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)c3ccc(CCC)cc3,"InChI=1/C26H28O2/c1-3-5-7-21-10-14-24(15-11-21)26(27)28-25-18-16-23(17-19-25)22-12-8-20(6-4-2)9-13-22/h8-19H,3-7H2,1-2H3",C26H28O2,,,,,,SUHTWRQMBLXNFP-UHFFFAOYSA-N,,,,,,,,,,,
100.057.665,263-450-9,62197-94-8,(S)-a-(trifluoromethyl)benzylamine,"2,2,2-trifluoro-1-phenylethanamine",N[C@@H](c1ccccc1)C(F)(F)F,N[C@@H](c1ccccc1)C(F)(F)F,"InChI=1/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2",C8H8F3N,,,,,,DZCAUMADOBDJJH-ZETCQYMHSA-N,,,,,,,,,,,
100.057.666,263-451-4,62199-62-6,"2,2,4,4,6-pentamethylheptane","2,2,4,4,6-pentamethylheptane",CC(C)CC(C)(C)CC(C)(C)C,CC(C)CC(C)(C)CC(C)(C)C,"InChI=1/C12H26/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,8-9H2,1-7H3",C12H26,,,,,,NOFQKTWPZFUCOO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.669,263-455-6,62203-79-6,"Disodium 2-aminonaphthalene-1,5-disulphonate","disodium 2-aminonaphthalene-1,5-disulfonate",[Na+].[Na+].Nc1ccc2c(cccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc2c(cccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.2Na/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H9NO6S2.2Na,,,,,,ACBJGAPIXKDCRP-UHFFFAOYSA-L,,,,,,,,,,,
100.057.683,263-470-8,62249-18-7,Bis[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] hydrogen phosphate,bis(2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethyl) hydrogen phosphate,CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCCCCCCCCCCC,CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCCCCCCCCCCC,"InChI=1/C36H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-39-25-27-41-29-31-43-33-35-45-47(37,38)46-36-34-44-32-30-42-28-26-40-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)",C36H75O10P,,,,,,WADOGHZARUGFCV-UHFFFAOYSA-N,,,,,,,,,,,
100.057.686,263-473-4,62261-89-6,"(RS)-2-(2-hydroxy-3-isopropylaminopropoxy)-4,6-dimethylbenzophenone hydrochloride","{2-[2-hydroxy-3-(isopropylamino)propoxy]-4,6-dimethylphenyl}(phenyl)methanone hydrochloride",Cl.CC(C)NCC(O)COc1cc(C)cc(C)c1C(=O)c2ccccc2,Cl.CC(C)NCC(O)COc1cc(C)cc(C)c1C(=O)c2ccccc2,"InChI=1/C21H27NO3.ClH/c1-14(2)22-12-18(23)13-25-19-11-15(3)10-16(4)20(19)21(24)17-8-6-5-7-9-17;/h5-11,14,18,22-23H,12-13H2,1-4H3;1H",C21H27NO3.ClH,,,,,,QXGWICIUAPRYQT-UHFFFAOYSA-N,,,,,,,,,,,
100.057.690,263-478-1,62265-68-3,Quinfamide,"1-(dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl 2-furoate",ClC(Cl)C(=O)N1CCCc2cc(OC(=O)c3occc3)ccc12,ClC(Cl)C(=O)N1CCCc2cc(OC(=O)c3occc3)ccc12,"InChI=1/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2",C16H13Cl2NO4,,,,,,SBJGFIXQRZOVTO-UHFFFAOYSA-N,,,,,,,,,,,
100.057.699,263-488-6,62288-68-0,3-methyl-2-(3-methylbutyl)but-2-en-1-ol,2-isopropylidene-5-methylhexan-1-ol,CC(C)CCC(=C(C)C)CO,CC(C)CCC(=C(C)C)CO,"InChI=1/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h8,11H,5-7H2,1-4H3",C10H20O,,,,,,SDKONKRTCOVRFN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.703,263-492-8,62299-17-6,6-chloro-2-chloromethyl-4-phenylquinazoline 3-oxide hydrochloride,6-chloro-2-(chloromethyl)-4-phenylquinazoline 3-oxide hydrochloride,Cl.[O-][n+]1c(CCl)nc2ccc(Cl)cc2c1c3ccccc3,Cl.[O-][n+]1c(CCl)nc2ccc(Cl)cc2c1c3ccccc3,"InChI=1/C15H10Cl2N2O.ClH/c16-9-14-18-13-7-6-11(17)8-12(13)15(19(14)20)10-4-2-1-3-5-10;/h1-8H,9H2;1H",C15H10Cl2N2O.ClH,,,,,,HRFMKWKILQFPCB-UHFFFAOYSA-N,,,,,,,,,,,
100.057.705,263-494-9,62304-85-2,2-[2-(2-hydroxyethoxy)ethoxy]ethyl palmitate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCOCCOCCO,CCCCCCCCCCCCCCCC(=O)OCCOCCOCCO,"InChI=1/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-20-26-19-18-25-17-16-23/h23H,2-21H2,1H3",C22H44O5,,,,,,KDXRKUWZYUGWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.058.215,264-057-5,63264-72-2,3-(allyloxy)-2-bromopropan-1-ol,3-(allyloxy)-2-bromopropan-1-ol,OCC(Br)COCC=C,OCC(Br)COCC=C,"InChI=1/C6H11BrO2/c1-2-3-9-5-6(7)4-8/h2,6,8H,1,3-5H2",C6H11BrO2,,,,,,LOESVTJXRAAZKI-UHFFFAOYSA-N,,,,,,,,,,,
100.058.216,264-058-0,63264-73-3,3-(allyloxy)-2-bromopropyl dihydrogen phosphate,3-(allyloxy)-2-bromopropyl dihydrogen phosphate,OP(O)(=O)OCC(Br)COCC=C,OP(O)(=O)OCC(Br)COCC=C,"InChI=1/C6H12BrO5P/c1-2-3-11-4-6(7)5-12-13(8,9)10/h2,6H,1,3-5H2,(H2,8,9,10)",C6H12BrO5P,,,,,,MHKZSDZGFSXPFG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.219,264-061-7,63270-15-5,"1,2,5-trimethylhept-4-enyl acetate","1,2,5-trimethylhept-4-en-1-yl acetate",CC(CC)=CCC(C)C(C)OC(C)=O,CC(CC)=CCC(C)C(C)OC(C)=O,"InChI=1/C12H22O2/c1-6-9(2)7-8-10(3)11(4)14-12(5)13/h7,10-11H,6,8H2,1-5H3",C11H20O2,,,,,,CSFVAOLXWVTPMR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.118,257-348-3,51689-20-4,"(7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonato-O1)bis(1-hydroxy-1H-pyridine-2-thionato-O,S)aluminium","aluminum (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate bis(2-thioxopyridin-1(2H)-olate)",CC1(C)C2CCC1(CS(=O)(=O)O[Al](ON3C=CC=CC3=S)ON4C=CC=CC4=S)C(=O)C2,CC1(C)C2CCC1(CS(=O)(=O)O[Al](ON3C=CC=CC3=S)ON4C=CC=CC4=S)C(=O)C2,"InChI=1/C10H16O4S.2C5H4NOS.Al/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;2*7-6-4-2-1-3-5(6)8;/h7H,3-6H2,1-2H3,(H,12,13,14);2*1-4H;/q;2*-1;+3/p-1/rC20H23AlN2O6S3/c1-19(2)15-9-10-20(19,16(24)13-15)14-32(25,26)29-21(27-22-11-5-3-7-17(22)30)28-23-12-6-4-8-18(23)31/h3-8,11-12,15H,9-10,13-14H2,1-2H3",C20H23AlN2O6S3,,,,,,BVKOWUFCEWJTEF-UHFFFAOYSA-M,,,,,,,,,,,
100.052.120,257-350-4,51694-22-5,o-nitrophenyl selenocyanate,2-nitrophenyl selenocyanate,[O-][N+](=O)c1ccccc1[Se]C#N,[O-][N+](=O)c1ccccc1[Se]C#N,InChI=1/C7H4N2O2Se/c8-5-12-7-4-2-1-3-6(7)9(10)11/h1-4H,C7H4N2O2Se,,,,,,LHBLJWULWKQRON-UHFFFAOYSA-N,,,,,,,,,,,
100.053.004,258-324-5,53050-32-1,3-nitro-N-phenylsulphanilamide,4-amino-3-nitro-N-phenylbenzenesulfonamide,Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc2ccccc2,Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc2ccccc2,"InChI=1/C12H11N3O4S/c13-11-7-6-10(8-12(11)15(16)17)20(18,19)14-9-4-2-1-3-5-9/h1-8,14H,13H2",C12H11N3O4S,,,,,,MVUSOHDADIYAKW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.070,253-996-6,38551-15-4,"N,N-dibutyl-N',N'-dihexyl-N'',N''-dioctyl-1,3,5-triazine-2,4,6-triamine","N~2~,N~2~-dibutyl-N~4~,N~4~-dihexyl-N~6~,N~6~-dioctyl-1,3,5-triazine-2,4,6-triamine",CCCCCCCCN(CCCCCCCC)c1nc(nc(n1)N(CCCCCC)CCCCCC)N(CCCC)CCCC,CCCCCCCCN(CCCCCCCC)c1nc(nc(n1)N(CCCCCC)CCCCCC)N(CCCC)CCCC,"InChI=1/C39H78N6/c1-7-13-19-23-25-29-35-45(36-30-26-24-20-14-8-2)39-41-37(43(31-17-11-5)32-18-12-6)40-38(42-39)44(33-27-21-15-9-3)34-28-22-16-10-4/h7-36H2,1-6H3",C39H78N6,,,,,,URFCTWCGYJQOCS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.073,253-999-2,38559-81-8,(4-butoxyphenoxy)acetic acid,(4-butoxyphenoxy)acetic acid,CCCCOc1ccc(OCC(=O)O)cc1,CCCCOc1ccc(OCC(=O)O)cc1,"InChI=1/C12H16O4/c1-2-3-8-15-10-4-6-11(7-5-10)16-9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)",C12H16O4,,,,,,CKROMSAARMUYAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.078,254-004-4,38565-52-5,"(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxirane","2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxirane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C9H5F13O/c10-4(11,1-3-2-23-3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,1-2H2",C9H5F13O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17964,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.078,KGYUZRBIQCDOCN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.081,254-008-6,38565-71-8,"2,2',2''-[methylidynetris(oxy)]tris[ethyl(dimethyl)amine]","2,2',2''-[methanetriyltris(oxy)]tris(N,N-dimethylethanamine)",CN(C)CCOC(OCCN(C)C)OCCN(C)C,CN(C)CCOC(OCCN(C)C)OCCN(C)C,"InChI=1/C13H31N3O3/c1-14(2)7-10-17-13(18-11-8-15(3)4)19-12-9-16(5)6/h13H,7-12H2,1-6H3",C13H31N3O3,,,,,,ZJGOLYSJMPMQPD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.087,254-014-9,38582-02-4,2-(6-methoxybenzofuran-2-yl)-1-benzyl-3-methyl-1H-benzimidazolium methyl sulphate,"1-benzyl-2-(6-methoxy-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium methyl sulfate",COc1ccc2cc(oc2c1)C3N(C)c4ccccc4[NH+]3Cc5ccccc5.COS(=O)(=O)[O-],COc1ccc2cc(oc2c1)C3N(C)c4ccccc4[NH+]3Cc5ccccc5.COS(=O)(=O)[O-],"InChI=1/C24H22N2O2.CH4O4S/c1-25-20-10-6-7-11-21(20)26(16-17-8-4-3-5-9-17)24(25)23-14-18-12-13-19(27-2)15-22(18)28-23;1-5-6(2,3)4/h3-15,24H,16H2,1-2H3;1H3,(H,2,3,4)",C24H21N2O2.CH3O4S,,,,,,CHCUGGWQKHTVHE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.095,254-023-8,38586-42-4,2-[(3-ethylthiazolidinylidene)methyl]-3-methyl-6-nitrobenzothiazolium iodide,"2-[(3-ethyl-1,3-thiazolidin-2-ylidene)methyl]-3-methyl-6-nitro-1,3-benzothiazol-3-ium iodide",[I-].CCN3CCSC3=Cc1sc2cc(ccc2[n+]1C)[N+]([O-])=O,[I-].CCN3CCSC3=Cc1sc2cc(ccc2[n+]1C)[N+]([O-])=O,"InChI=1/C14H16N3O2S2.HI/c1-3-16-6-7-20-14(16)9-13-15(2)11-5-4-10(17(18)19)8-12(11)21-13;/h4-5,8-9H,3,6-7H2,1-2H3;1H/q+1;/p-1",C14H16N3O2S2.I,,,,,,FKHXPKFYKOQQJX-UHFFFAOYSA-M,,,,,,,,,,,
100.049.100,254-029-0,38595-73-2,1-[[2-[(2-aminoethyl)amino]ethyl]amino]propan-2-ol,1-({2-[(2-aminoethyl)amino]ethyl}amino)propan-2-ol,CC(O)CNCCNCCN,CC(O)CNCCNCCN,"InChI=1/C7H19N3O/c1-7(11)6-10-5-4-9-3-2-8/h7,9-11H,2-6,8H2,1H3",C7H19N3O,,,,,,TYJJJZBLPWLKNN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.105,254-034-8,38605-72-0,1-chloro-9H-thioxanthen-9-one,1-chloro-9H-thioxanthen-9-one,Clc1cccc2Sc3ccccc3C(=O)c12,Clc1cccc2Sc3ccccc3C(=O)c12,InChI=1/C13H7ClOS/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H,C13H7ClOS,,,,,,YNSNJGRCQCDRDM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.106,254-035-3,38609-03-9,Lithium 5-oxo-DL-prolinate,lithium 5-oxopyrrolidine-2-carboxylate,[Li+].[O-]C(=O)[C@@H]1CCC(=O)N1,[Li+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.Li/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.Li,,,,,,LZDHMHVINGARJX-DFWYDOINSA-M,,,,,,,,,,,
100.049.107,254-036-9,38609-04-0,Lithium 5-oxo-L-prolinate,lithium 5-oxopyrrolidine-2-carboxylate,[Li+].[O-]C(=O)[C@@H]1CCC(=O)N1,[Li+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.Li/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.Li,,,,,,LZDHMHVINGARJX-DFWYDOINSA-M,,,,,,,,,,,
100.049.109,254-039-5,38615-38-2,N-[4-[bis[4-(diethylamino)-o-tolyl]methyl]-2-methoxyphenyl]octanamide,N-(4-{bis[4-(diethylamino)-2-methylphenyl]methyl}-2-methoxyphenyl)octanamide,CCCCCCCC(=O)Nc1ccc(cc1OC)C(c2ccc(cc2C)N(CC)CC)c3ccc(cc3C)N(CC)CC,CCCCCCCC(=O)Nc1ccc(cc1OC)C(c2ccc(cc2C)N(CC)CC)c3ccc(cc3C)N(CC)CC,"InChI=1/C38H55N3O2/c1-9-14-15-16-17-18-37(42)39-35-24-19-30(27-36(35)43-8)38(33-22-20-31(25-28(33)6)40(10-2)11-3)34-23-21-32(26-29(34)7)41(12-4)13-5/h19-27,38H,9-18H2,1-8H3,(H,39,42)",C38H55N3O2,,,,,,LJQRYPCDQQFASR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.470,256-636-6,50594-82-6,"1,2,3-trichloro-5-(trifluoromethyl)benzene","1,2,3-trichloro-5-(trifluoromethyl)benzene",FC(F)(F)c1cc(Cl)c(Cl)c(Cl)c1,FC(F)(F)c1cc(Cl)c(Cl)c(Cl)c1,"InChI=1/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H",C7H2Cl3F3,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6699,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.470,FBKFIAIRSQOXJR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.475,256-641-3,50598-33-9,"3-ethyldihydro-3-methylfuran-2,5-dione","3-ethyl-3-methyldihydrofuran-2,5-dione",CCC1(C)CC(=O)OC1=O,CCC1(C)CC(=O)OC1=O,"InChI=1/C7H10O3/c1-3-7(2)4-5(8)10-6(7)9/h3-4H2,1-2H3",C7H10O3,,,,,,HRMQFEOLGGKZLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.484,256-651-8,50608-12-3,"5-tert-butyl-N-methyl-1,3,4-thiadiazol-2-amine","5-tert-butyl-N-methyl-1,3,4-thiadiazol-2-amine",CNc1nnc(s1)C(C)(C)C,CNc1nnc(s1)C(C)(C)C,"InChI=1/C7H13N3S/c1-7(2,3)5-9-10-6(8-4)11-5/h1-4H3,(H,8,10)",C7H13N3S,,,,,,UMEJBYJALNGUQF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.486,256-653-9,50610-32-7,"N,N'-(2-chloro-1,4-phenylene)bisacetamide","N,N'-(2-chloro-1,4-phenylene)diacetamide",CC(=O)Nc1ccc(NC(=O)C)c(Cl)c1,CC(=O)Nc1ccc(NC(=O)C)c(Cl)c1,"InChI=1/C10H11ClN2O2/c1-6(14)12-8-3-4-10(9(11)5-8)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)",C10H11ClN2O2,,,,,,WGHROLNIFFZEQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.491,256-659-1,50622-42-9,2-(4-acetoxy-3-tert-butylphenoxy)myristoyl chloride,2-tert-butyl-4-{[1-(chlorocarbonyl)tridecyl]oxy}phenyl acetate,CCCCCCCCCCCCC(Oc1ccc(OC(=O)C)c(c1)C(C)(C)C)C(=O)Cl,CCCCCCCCCCCCC(Oc1ccc(OC(=O)C)c(c1)C(C)(C)C)C(=O)Cl,"InChI=1/C26H41ClO4/c1-6-7-8-9-10-11-12-13-14-15-16-24(25(27)29)31-21-17-18-23(30-20(2)28)22(19-21)26(3,4)5/h17-19,24H,6-16H2,1-5H3",C26H41ClO4,,,,,,CIKIBKBOYUJPFA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.755,258-050-6,52619-18-8,"9-chloro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-valerate","9-chloro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C)C(=O)CO,CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C27H37ClO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3",C27H37ClO6,,,,,,CYBACPSHBXABHX-SUYDQAKGSA-N,,,,,,,,,,,
100.052.759,258-054-8,52628-25-8,Ammonium zinc chloride,-,[NH4+].[Cl-].[Zn+2],[NH4+].[Cl-].[Zn+2],InChI=1/ClH.H3N.Zn/h1H;1H3;/q;;+2,-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5152,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.759,UMNYVEBMAZPMAK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.765,258-061-6,52636-67-6,Morpholinium sulphamate,morpholin-4-ium sulfamate,NS(=O)(=O)[O-].C1COCC[NH2+]1,NS(=O)(=O)[O-].C1COCC[NH2+]1,"InChI=1/C4H9NO.H3NO3S/c1-3-6-4-2-5-1;1-5(2,3)4/h5H,1-4H2;(H3,1,2,3,4)",C4H9NO.H3NO3S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5605,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.765,PHUIJNUKWTUKLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.774,258-071-0,52655-12-6,Dibromobutenediol,"2,3-dibromobut-1-ene-1,1-diol",CC(Br)C(=C(O)O)Br,CC(Br)C(=C(O)O)Br,"InChI=1/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2,7-8H,1H3",C4H6Br2O2,,,,,,QKKSKKMOIOGASY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.777,258-074-7,52657-30-4,3-(dimethylamino)-N-[(dimethylamino)methyl]propionamide,"N-[(dimethylamino)methyl]-N~3~,N~3~-dimethyl-beta-alaninamide",CN(C)CCC(=O)NCN(C)C,CN(C)CCC(=O)NCN(C)C,"InChI=1/C8H19N3O/c1-10(2)6-5-8(12)9-7-11(3)4/h5-7H2,1-4H3,(H,9,12)",C8H19N3O,,,,,,OCKMRLVOECMKCY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.782,258-079-4,52663-57-7,Sodium 2-butoxyethanolate,sodium 2-butoxyethanolate,[Na+].CCCCOCC[O-],[Na+].CCCCOCC[O-],"InChI=1/C6H13O2.Na/c1-2-3-5-8-6-4-7;/h2-6H2,1H3;/q-1;+1",C6H14O2.Na,,,,,,GROHDZZDCRILLL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.783,258-081-5,52663-87-3,N-(2-carboxyethyl)-N-octyl-ß-alanine,"3,3'-(octylimino)dipropanoic acid (non-preferred name)",CCCCCCCCN(CCC(=O)O)CCC(=O)O,CCCCCCCCN(CCC(=O)O)CCC(=O)O,"InChI=1/C14H27NO4/c1-2-3-4-5-6-7-10-15(11-8-13(16)17)12-9-14(18)19/h2-12H2,1H3,(H,16,17)(H,18,19)",C14H27NO4,,,,,,YZMCEFRJPWTZMX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.785,258-083-6,52664-35-4,Tris(4-aminophenyl) thiophosphate,"O,O,S-tris(4-aminophenyl) thiophosphate",Nc1ccc(OP(=O)(Oc2ccc(N)cc2)Sc3ccc(N)cc3)cc1,Nc1ccc(OP(=O)(Oc2ccc(N)cc2)Sc3ccc(N)cc3)cc1,"InChI=1/C18H18N3O3PS/c19-13-1-7-16(8-2-13)23-25(22,24-17-9-3-14(20)4-10-17)26-18-11-5-15(21)6-12-18/h1-12H,19-21H2",C18H18N3O3PS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11228,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.785,YSUYOBWSUSDTSL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.788,258-086-2,52668-06-1,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CC(C)(C)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CC(C)(C)C,"InChI=1/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3",C28H39FO6,,,,,,PQVDYPCHUGFHAR-XYWKZLDCSA-N,,,,,,,,,,,
100.050.264,255-309-5,41312-86-1,"1,4-diamino-2-chloro-3-(2-phenoxyethoxy)anthraquinone","1,4-diamino-2-chloro-3-(2-phenoxyethoxy)-9,10-anthraquinone",Nc1c(Cl)c(OCCOc2ccccc2)c(N)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Cl)c(OCCOc2ccccc2)c(N)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H17ClN2O4/c23-17-18(24)15-16(21(27)14-9-5-4-8-13(14)20(15)26)19(25)22(17)29-11-10-28-12-6-2-1-3-7-12/h1-9H,10-11,24-25H2",C22H17ClN2O4,,,,,,ZRPSVURUZDPMCA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.268,255-313-7,41321-25-9,2-cyclohexen-1-yl isovalerate,cyclohex-2-en-1-yl 3-methylbutanoate,CC(C)CC(=O)OC1CCCC=C1,CC(C)CC(=O)OC1CCCC=C1,"InChI=1/C11H18O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3",C11H18O2,,,,,,VTPOVJAZJFDVMX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.274,255-320-5,41333-51-1,"2,5-dimethoxy-4-[(p-tolyl)thio]benzenediazonium hexafluorophosphate","2,5-dimethoxy-4-[(4-methylphenyl)sulfanyl]benzenediazonium hexafluorophosphate",COc1cc([N+]#N)c(OC)cc1Sc2ccc(C)cc2.F[P-](F)(F)(F)(F)F,COc1cc([N+]#N)c(OC)cc1Sc2ccc(C)cc2.F[P-](F)(F)(F)(F)F,"InChI=1/C15H15N2O2S.F6P/c1-10-4-6-11(7-5-10)20-15-9-13(18-2)12(17-16)8-14(15)19-3;1-7(2,3,4,5)6/h4-9H,1-3H3;/q+1;-1",C15H15N2O2S.F6P,,,,,,BQESUXZHHVVEGH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.279,255-325-2,41344-13-2,Disodium 4-[2-[[3-[(2-hydroxydodecyl)methylamino]-1-oxopropyl](2-hydroxyethyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-(2-{[N-(2-hydroxydodecyl)-N-methyl-beta-alanyl](2-hydroxyethyl)amino}ethoxy)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCC(O)CN(C)CCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCC(O)CN(C)CCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C24H46N2O10S.2Na/c1-3-4-5-6-7-8-9-10-11-20(28)19-25(2)13-12-22(29)26(14-16-27)15-17-36-23(30)18-21(24(31)32)37(33,34)35;;/h20-21,27-28H,3-19H2,1-2H3,(H,31,32)(H,33,34,35);;/q;2*+1/p-2",C24H46N2O10S.2Na,,,,,,ULJVBIPZMYTHBB-UHFFFAOYSA-L,,,,,,,,,,,
100.050.281,255-327-3,41358-63-8,"N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide","N-{3-[bis(2-hydroxyethyl)amino]propyl}-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide",OCCN(CCO)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCN(CCO)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H17F15N2O3/c16-9(17,8(35)31-2-1-3-32(4-6-33)5-7-34)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h33-34H,1-7H2,(H,31,35)",C15H17F15N2O3,,,,,,PJFLHAJVWSCWMB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.282,255-328-9,41359-72-2,2-(diethylamino)ethyl tetrahydro-a-(2-naphthylmethyl)furan-2-propionate,2-(diethylamino)ethyl 3-(2-naphthyl)-2-(tetrahydrofuran-2-ylmethyl)propanoate,CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2ccc3ccccc3c2,CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2ccc3ccccc3c2,"InChI=1/C24H33NO3/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19/h5-6,8-9,11-12,16,22-23H,3-4,7,10,13-15,17-18H2,1-2H3",C24H33NO3,,,,,,IEBDTIUHMNLDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.286,255-333-6,41361-28-8,1-ethylpiperidin-3-one hydrochloride,1-ethylpiperidin-3-one hydrochloride,Cl.CCN1CCCC(=O)C1,Cl.CCN1CCCC(=O)C1,"InChI=1/C7H13NO.ClH/c1-2-8-5-3-4-7(9)6-8;/h2-6H2,1H3;1H",C7H13NO.ClH,,,,,,JLBJGYHSFYAUDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.057,257-282-5,51555-31-8,Pentaglycerol,"2,4,7,10,13-pentakis(hydroxymethyl)-3,6,9,12-tetraoxatetradecane-1,14-diol",OCC(CO)OCC(CO)OCC(CO)OCC(CO)OC(CO)CO,OCC(CO)OCC(CO)OCC(CO)OCC(CO)OC(CO)CO,"InChI=1/C15H32O11/c16-1-11(2-17)23-8-13(5-20)24-9-14(6-21)25-10-15(7-22)26-12(3-18)4-19/h11-22H,1-10H2",C15H32O11,,,,,,XVNPLOVSONLCBO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.067,257-293-5,51575-80-5,1-methylbutyl acrylate,1-methylbutyl acrylate,CCCC(C)OC(=O)C=C,CCCC(C)OC(=O)C=C,"InChI=1/C8H14O2/c1-4-6-7(3)10-8(9)5-2/h5,7H,2,4,6H2,1,3H3",C8H14O2,,,,,,RNGPDYJPLDLVJI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.070,257-296-1,51580-93-9,"4,5-bis(1-phenylethyl)-o-xylene","1,2-dimethyl-4,5-bis(1-phenylethyl)benzene",CC(c1ccccc1)c2cc(C)c(C)cc2C(C)c3ccccc3,CC(c1ccccc1)c2cc(C)c(C)cc2C(C)c3ccccc3,"InChI=1/C24H26/c1-17-15-23(19(3)21-11-7-5-8-12-21)24(16-18(17)2)20(4)22-13-9-6-10-14-22/h5-16,19-20H,1-4H3",C24H26,,,,,,QUJHQCRVGWYNKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.072,257-298-2,51583-69-8,2-methyl-1-(3-sulphonatopropyl)quinolinium,3-(2-methylquinolinium-1-yl)propane-1-sulfonate,Cc1ccc2ccccc2[n+]1CCCS(=O)(=O)[O-],Cc1ccc2ccccc2[n+]1CCCS(=O)(=O)[O-],"InChI=1/C13H15NO3S/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-18(15,16)17/h2-3,5-8H,4,9-10H2,1H3",C13H15NO3S,,,,,,XOQBXKBUTMRNQS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.073,257-299-8,51586-24-4,a-(trifluoromethyl)benzylamine,"2,2,2-trifluoro-1-phenylethanamine",NC(c1ccccc1)C(F)(F)F,NC(c1ccccc1)C(F)(F)F,"InChI=1/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2",C8H8F3N,,,,,,DZCAUMADOBDJJH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.022,253-943-7,38453-62-2,N2-trityl-L-arginine,N~2~-trityl-L-arginine,NC(=N)NCCC[C@H](NC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O,NC(=N)NCCC[C@H](NC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O,"InChI=1/C25H28N4O2/c26-24(27)28-18-10-17-22(23(30)31)29-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22,29H,10,17-18H2,(H,30,31)(H4,26,27,28)",C25H28N4O2,,,,,,XOPFDFWTKCSBGX-QFIPXVFZSA-N,,,,,,,,,,,
100.049.027,253-948-4,38456-24-5,3-pyridylpropyl acetate,3-pyridin-2-ylpropyl acetate,CC(=O)OCCCc1ccccn1,CC(=O)OCCCc1ccccn1,"InChI=1/C10H13NO2/c1-9(12)13-8-4-6-10-5-2-3-7-11-10/h2-3,5,7H,4,6,8H2,1H3",C10H13NO2,,,,,,WJNAEONVLSWDTG-UHFFFAOYSA-N,,,,,,,,,,,
100.058.232,264-075-3,63295-18-1,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C12H8F19O5P.2H3N/c13-4(14,1-3(32)2-36-37(33,34)35)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31;;/h3,32H,1-2H2,(H2,33,34,35);2*1H3",C12H8F19O5P.2H3N,,,,,,ONTZPZSNBFJLNO-UHFFFAOYSA-N,,,,,,,,,,,
100.058.233,264-076-9,63295-27-2,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C14H8F23O5P/c15-4(16,1-3(38)2-42-43(39,40)41)6(18,19)8(22,23)10(26,27)12(30,31)11(28,29)9(24,25)7(20,21)5(17,13(32,33)34)14(35,36)37/h3,38H,1-2H2,(H2,39,40,41)",C14H8F23O5P,,,,,,KUDKLDDNJRWOJT-UHFFFAOYSA-N,,,,,,,,,,,
100.058.241,264-085-8,63302-75-0,"1,1',1''-(1,1,3,5-tetramethylpentane-1,3,5-triyl)tris(cyclohexane)","1,1',1''-(2,4-dimethylheptane-2,4,6-triyl)tricyclohexane",CC(CC(C)(CC(C)(C)C1CCCCC1)C2CCCCC2)C3CCCCC3,CC(CC(C)(CC(C)(C)C1CCCCC1)C2CCCCC2)C3CCCCC3,"InChI=1/C27H50/c1-22(23-14-8-5-9-15-23)20-27(4,25-18-12-7-13-19-25)21-26(2,3)24-16-10-6-11-17-24/h22-25H,5-21H2,1-4H3",C27H50,,,,,,KVXHICLGXOIJMS-UHFFFAOYSA-N,,,,,,,,,,,
100.058.246,264-091-0,63308-79-2,"3-(2,6-dichlorophenyl)-6-(methylthio)-1,3,5-triazine-2,4(1H,3H)-dione","3-(2,6-dichlorophenyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4(1H,3H)-dione",CSC1=NC(=O)N(C(=O)N1)c2c(Cl)cccc2Cl,CSC1=NC(=O)N(C(=O)N1)c2c(Cl)cccc2Cl,"InChI=1/C10H7Cl2N3O2S/c1-18-8-13-9(16)15(10(17)14-8)7-5(11)3-2-4-6(7)12/h2-4H,1H3,(H,13,14,16,17)",C10H7Cl2N3O2S,,,,,,BBDTZMZYBJMBRW-UHFFFAOYSA-N,,,,,,,,,,,
100.058.248,264-093-1,63314-66-9,2-[(4-chloro-2-nitrophenyl)azo]-N-(4-chlorophenyl)-3-oxobutyramide,2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(4-chlorophenyl)-3-oxobutanamide,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(Cl)cc1)cc2)[N+]([O-])=O,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(Cl)cc1)cc2)[N+]([O-])=O,"InChI=1/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-2-10(17)3-6-12)21-20-13-7-4-11(18)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)",C16H12Cl2N4O4,,,,,,UTZPVJKRCMYHIT-UHFFFAOYSA-N,,,,,,,,,,,
100.059.879,265-886-5,65702-24-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecane-1-sulphonyl chloride","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,"InChI=1/C11H4ClF19O2S/c12-34(32,33)2-1-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)31/h1-2H2",C11H4ClF19O2S,,,,,,UKNLPYXLGGKLMW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.598,265-577-5,65156-97-0,"9-(1,1-dimethylethyl)-1,5-dioxaspiro[5.5]undecane","9-tert-butyl-1,5-dioxaspiro[5.5]undecane",CC(C)(C)C1CCC2(CC1)OCCCO2,CC(C)(C)C1CCC2(CC1)OCCCO2,"InChI=1/C13H24O2/c1-12(2,3)11-5-7-13(8-6-11)14-9-4-10-15-13/h11H,4-10H2,1-3H3",C13H24O2,,,,,,DVDNSLYHRDSWHW-UHFFFAOYSA-N,,,,,,,,,,,
100.059.600,265-579-6,65162-13-2,1-methoxy-5-methylphenazinium methyl sulphate,1-methoxy-5-methylphenazin-5-ium methyl sulfate,COc1cccc2c1nc3ccccc3[n+]2C.COS(=O)(=O)[O-],COc1cccc2c1nc3ccccc3[n+]2C.COS(=O)(=O)[O-],"InChI=1/C14H13N2O.CH4O4S/c1-16-11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-2;1-5-6(2,3)4/h3-9H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C14H13N2O.CH3O4S,,,,,,MASUWVVNWALEEM-UHFFFAOYSA-M,,,,,,,,,,,
100.059.601,265-580-1,65166-19-0,Sodium 1-acetoxytetradecanol sulphate,sodium 1-acetoxytetradecyl sulfate,[Na+].CCCCCCCCCCCCCC(OC(=O)C)OS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCC(OC(=O)C)OS(=O)(=O)[O-],"InChI=1/C16H32O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(21-15(2)17)22-23(18,19)20;/h16H,3-14H2,1-2H3,(H,18,19,20);/q;+1/p-1",C16H32O6S.Na,,,,,,SHKGAKZTRCENGN-UHFFFAOYSA-M,,,,,,,,,,,
100.059.607,265-586-4,65167-28-4,(R)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-L-proline,1-[3-(acetylsulfanyl)-2-methylpropanoyl]-L-proline,CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O,CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)",C11H17NO4S,,,,,,ZNQRGUYIKSRYCI-NETXQHHPSA-N,,,,,,,,,,,
100.059.609,265-589-0,65168-14-1,"7-[(4-amino-2-methoxy-5-methylphenyl)azo]naphthalene-1,3-disulphonic acid","7-[(4-amino-2-methoxy-5-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid",COc3cc(N)c(C)cc3N=Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O,COc3cc(N)c(C)cc3N=Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H17N3O7S2/c1-10-5-16(17(28-2)9-15(10)19)21-20-12-4-3-11-6-13(29(22,23)24)8-18(14(11)7-12)30(25,26)27/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)",C18H17N3O7S2,,,,,,QPRHJNURPQUWMK-UHFFFAOYSA-N,,,,,,,,,,,
100.059.615,265-595-3,65179-50-2,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]dodecanamide,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]dodecanamide,CCCCCCCCCCCC(=O)NCCNCCNCCN,CCCCCCCCCCCC(=O)NCCNCCNCCN,"InChI=1/C18H40N4O/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-17-16-21-15-14-20-13-12-19/h20-21H,2-17,19H2,1H3,(H,22,23)",C18H40N4O,,,,,,BVTFPKVMGFMGFX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.111,254-041-6,38615-43-9,"N-butylhexane-1,6-diamine","N-butylhexane-1,6-diamine",CCCCNCCCCCCN,CCCCNCCCCCCN,"InChI=1/C10H24N2/c1-2-3-9-12-10-7-5-4-6-8-11/h12H,2-11H2,1H3",C10H24N2,,,,,,IQDWESONKRVAER-UHFFFAOYSA-N,,,,,,,,,,,
100.052.973,258-289-6,53001-73-3,"3-(bromomethyl)-1,2,4,5-tetrafluorobenzene","3-(bromomethyl)-1,2,4,5-tetrafluorobenzene",Fc1cc(F)c(F)c(CBr)c1F,Fc1cc(F)c(F)c(CBr)c1F,"InChI=1/C7H3BrF4/c8-2-3-6(11)4(9)1-5(10)7(3)12/h1H,2H2",C7H3BrF4,,,,,,QHZBSXQCGIQSID-UHFFFAOYSA-N,,,,,,,,,,,
100.052.975,258-291-7,53004-93-6,2-(isopropyl)-5-methylcyclohexyl 2-methylbutyrate,2-isopropyl-5-methylcyclohexyl 2-methylbutanoate,CCC(C)C(=O)OC1CC(C)CCC1C(C)C,CCC(C)C(=O)OC1CC(C)CCC1C(C)C,"InChI=1/C15H28O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3",C15H28O2,,,,,,FGHREPYEIHRUKM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.976,258-292-2,53012-41-2,"1-(2,6-dimethylphenoxy)acetone","1-(2,6-dimethylphenoxy)acetone",CC(=O)COc1c(C)cccc1C,CC(=O)COc1c(C)cccc1C,"InChI=1/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3",C11H14O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7145,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.976,XDJULAUHYAJQBU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.979,258-295-9,53014-37-2,Tetranitroaniline,"2,3,4,5-tetranitroaniline",Nc1cc(c(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Nc1cc(c(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H3N5O8/c7-2-1-3(8(12)13)5(10(16)17)6(11(18)19)4(2)9(14)15/h1H,7H2",C6H3N5O8,,,,,,ZEATZKQJRUMESH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.983,258-300-4,53019-76-4,"3-ethyl-2-methylnaphtho[2,1-d]thiazolium toluene-p-sulphonate","3-ethyl-2-methylnaphtho[2,1-d][1,3]thiazol-3-ium 4-methylbenzenesulfonate",CC[n+]1c(C)sc2c3ccccc3ccc12.Cc4ccc(cc4)S(=O)(=O)[O-],CC[n+]1c(C)sc2c3ccccc3ccc12.Cc4ccc(cc4)S(=O)(=O)[O-],"InChI=1/C14H14NS.C7H8O3S/c1-3-15-10(2)16-14-12-7-5-4-6-11(12)8-9-13(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C14H14NS.C7H7O3S,,,,,,ZHJSCTBAIQQVLN-UHFFFAOYSA-M,,,,,,,,,,,
100.052.985,258-303-0,53023-59-9,"Disodium (Z,E)-(±)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioate","disodium 4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioate",COC(C)(C)CCCC(C)CC=C(C(=CC(=O)O[Na])C)C(=O)O[Na],COC(C)(C)CCCC(C)CC=C(C(=CC(=O)O[Na])C)C(=O)O[Na],"InChI=1/C17H28O5.2Na/c1-12(7-6-10-17(3,4)22-5)8-9-14(16(20)21)13(2)11-15(18)19;;/h9,11-12H,6-8,10H2,1-5H3,(H,18,19)(H,20,21);;/q;2*+1/p-2",C17H28O5.2Na,,,,,,IWKNJYKHJUQZSN-UHFFFAOYSA-L,,,,,,,,,,,
100.052.998,258-317-7,53036-49-0,"5-oxo-L-proline, compound with dodecyl 3-hydroxy-L-tyrosinate (1:1)",5-oxo-L-proline - dodecyl 3-hydroxy-L-tyrosinate (1:1),CCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.OC(=O)[C@@H]2CCC(=O)N2,CCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C21H35NO4.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-14-26-21(25)18(22)15-17-12-13-19(23)20(24)16-17;7-4-2-1-3(6-4)5(8)9/h12-13,16,18,23-24H,2-11,14-15,22H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C21H35NO4.C5H7NO3,,,,,,QDUOSUWOCPXLMQ-ZZAUXRJKSA-N,,,,,,,,,,,
100.048.500,253-367-6,37148-47-3,"1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one","1-(4-amino-3,5-dichlorophenyl)-2-bromoethanone",Nc1c(Cl)cc(cc1Cl)C(=O)CBr,Nc1c(Cl)cc(cc1Cl)C(=O)CBr,"InChI=1/C8H6BrCl2NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2H,3,12H2",C8H6BrCl2NO,,,,,,ATKJJUFAWYSFID-UHFFFAOYSA-N,,,,,,,,,,,
100.048.501,253-368-1,37148-48-4,"1-(4-amino-3,5-dichlorophenyl)ethan-1-one","1-(4-amino-3,5-dichlorophenyl)ethanone",CC(=O)c1cc(Cl)c(N)c(Cl)c1,CC(=O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C8H7Cl2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3",C8H7Cl2NO,,,,,,JLPKZJDZXIKSCP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.502,253-369-7,37148-49-5,"1-(4-amino-3,5-dichlorophenyl)-2-[(1,1-dimethylethyl)amino]ethan-1-one hydrochloride","1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanone hydrochloride",Cl.CC(C)(C)NCC(=O)c1cc(Cl)c(N)c(Cl)c1,Cl.CC(C)(C)NCC(=O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C12H16Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,16H,6,15H2,1-3H3;1H",C12H16Cl2N2O.xClH,,,,,,VCMBTLCRANMPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.504,253-371-8,37167-59-2,Dimethyl dibromomalonate,dimethyl dibromomalonate,COC(=O)C(Br)(Br)C(=O)OC,COC(=O)C(Br)(Br)C(=O)OC,"InChI=1/C5H6Br2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3",C5H6Br2O4,,,,,,UWZGBUTYDAIEAS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.334,255-386-5,41472-49-5,N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide,N-[2-(4-sulfamoylphenyl)ethyl]acetamide,CC(=O)NCCc1ccc(cc1)S(=O)(=O)N,CC(=O)NCCc1ccc(cc1)S(=O)(=O)N,"InChI=1/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)",C10H14N2O3S,,,,,,IIMGUEXQORZTID-UHFFFAOYSA-N,,,,,,,,,,,
100.050.338,255-390-7,41481-20-3,2-cyclohexylidene-6-(1-cyclohexen-1-yl)cyclohexan-1-one,"1,1':3',1''-ter(cyclohexane)-1,1''(3')-dien-2'-one",O=C1C(CCCC1=C2CCCCC2)C3=CCCCC3,O=C1C(CCCC1=C2CCCCC2)C3=CCCCC3,"InChI=1/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h8,16H,1-7,9-13H2",C18H26O,,,,,,HYUPSGGKJPMYLH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.789,258-087-8,52669-69-9,2-chloro-4-(butylthio)-5-methoxybenzenediazonium tetrachlorozincate (2:1),bis[4-(butylsulfanyl)-2-chloro-5-methoxybenzenediazonium] tetrachlorozincate(2-),CCCCSc1cc(Cl)c(cc1OC)[N+]#N.CCCCSc2cc(Cl)c(cc2OC)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCCCSc1cc(Cl)c(cc1OC)[N+]#N.CCCCSc2cc(Cl)c(cc2OC)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C11H14ClN2OS.4ClH.Zn/c2*1-3-4-5-16-11-6-8(12)9(14-13)7-10(11)15-2;;;;;/h2*6-7H,3-5H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H14ClN2OS.Cl4Zn/c2*1-3-4-5-16-11-6-8(12)9(14-13)7-10(11)15-2;1-5(2,3)4/h2*6-7H,3-5H2,1-2H3;/q2*+1;-2",C11H14ClN2OS.1/2Cl4Zn,,,,,,WEKVMGKGAFMAFG-UHFFFAOYSA-J,,,,,,,,,,,
100.052.790,258-088-3,52671-18-8,"3,8-diamino-5-methyl-6-phenylphenanthridinium chloride","3,8-diamino-5-methyl-6-phenylphenanthridinium chloride",[Cl-].C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,[Cl-].C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,"InChI=1/C20H17N3.ClH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H",C20H18N3.Cl,,,,,,GKEJLMIOYHVQIT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.791,258-089-9,52671-36-0,"Ethyl (Z,Z,Z)-9-[(4-ethoxy-1,4-dioxobut-2-enyl)oxy]-9-octyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate","ethyl 9-[(4-ethoxy-4-oxobut-2-enoyl)oxy]-9-octyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OCC)(OC(=O)C=CC(=O)OCC)CCCCCCCC)\\C=C/C(=O)OCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCC)(OC(=O)C=CC(=O)OCC)CCCCCCCC)\C=C/C(=O)OCC,"InChI=1/C8H17.3C6H8O4.Sn/c1-3-5-7-8-6-4-2;3*1-2-10-6(9)4-3-5(7)8;/h1,3-8H2,2H3;3*3-4H,2H2,1H3,(H,7,8);/q;;;;+3/p-3/rC26H38O12Sn/c1-5-9-10-11-12-13-20-39(36-24(30)17-14-21(27)33-6-2,37-25(31)18-15-22(28)34-7-3)38-26(32)19-16-23(29)35-8-4/h14-19H,5-13,20H2,1-4H3",C26H38O12Sn,,,,,,ACKAZRMDLVXHDX-GLPMUSQESA-K,,,,,,,,,,,
100.048.099,252-925-6,36221-25-7,"Bis(oxiranylmethyl) methylcyclohex-4-ene-1,2-dicarboxylate","bis(oxiran-2-ylmethyl) 1-methylcyclohex-4-ene-1,2-dicarboxylate",CC1(CC=CCC1C(=O)OCC2CO2)C(=O)OCC3CO3,CC1(CC=CCC1C(=O)OCC2CO2)C(=O)OCC3CO3,"InChI=1/C15H20O6/c1-15(14(17)21-9-11-7-19-11)5-3-2-4-12(15)13(16)20-8-10-6-18-10/h2-3,10-12H,4-9H2,1H3",C15H20O6,,,,,,DYNNWXBMMDAYBS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.104,252-930-3,36232-89-0,Potassium arabinonate,"potassium 2,3,4,5-tetrahydroxypentanoate (non-preferred name)",[K+].OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],[K+].OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],"InChI=1/C5H10O6.K/c6-1-2(7)3(8)4(9)5(10)11;/h2-4,6-9H,1H2,(H,10,11);/q;+1/p-1",C5H10O6.K,,,,,,HSMKJRYJAZFMNP-PSRPMNHMSA-M,,,,,,,,,,,
100.048.107,252-934-5,36239-09-5,Ethyl 3-chloro-3-oxopropionate,ethyl 3-chloro-3-oxopropanoate,CCOC(=O)CC(=O)Cl,CCOC(=O)CC(=O)Cl,"InChI=1/C5H7ClO3/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3",C5H7ClO3,,,,,,KWFADUNOPOSMIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.109,252-936-6,36255-44-4,"3-bromo-1,1-dimethoxypropane","3-bromo-1,1-dimethoxypropane",COC(CCBr)OC,COC(CCBr)OC,"InChI=1/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3",C5H11BrO2,,,,,,ODZZAIFAQLODKN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.111,252-938-7,36263-51-1,1-(4-methoxyphenyl)cyclohexanecarbonitrile,1-(4-methoxyphenyl)cyclohexanecarbonitrile,COc1ccc(cc1)C2(CCCCC2)C#N,COc1ccc(cc1)C2(CCCCC2)C#N,"InChI=1/C14H17NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3",C14H17NO,,,,,,YQXUSXSQFVWPRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.112,252-939-2,36265-41-5,"Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","didodecyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCCCCCCCCCCCOC(=O)C1=C(C)NC(=C(C1)C(=O)OCCCCCCCCCCCC)C,CCCCCCCCCCCCOC(=O)C1=C(C)NC(=C(C1)C(=O)OCCCCCCCCCCCC)C,"InChI=1/C33H59NO4/c1-5-7-9-11-13-15-17-19-21-23-25-37-32(35)30-27-31(29(4)34-28(30)3)33(36)38-26-24-22-20-18-16-14-12-10-8-6-2/h34H,5-27H2,1-4H3",C33H59NO4,,,,,,VEUDMQNHACTHAL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.115,252-942-9,36268-65-2,"4-[2,4-bis(tert-pentyl)phenoxy]butyronitrile","4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanenitrile",CCC(C)(C)c1ccc(OCCCC#N)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC#N)c(c1)C(C)(C)CC,"InChI=1/C20H31NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,14H2,1-6H3",C20H31NO,,,,,,JEWCXPGDBLFXNE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.116,252-943-4,36268-75-4,Phenyl 4-chloro-1-hydroxy-2-naphthoate,phenyl 4-chloro-1-hydroxy-2-naphthoate,Oc1c(cc(Cl)c2ccccc12)C(=O)Oc3ccccc3,Oc1c(cc(Cl)c2ccccc12)C(=O)Oc3ccccc3,"InChI=1/C17H11ClO3/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,19H",C17H11ClO3,,,,,,PRPJEXLNOGLBCN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.117,252-945-5,36271-19-9,(benzylphenylamino)acetonitrile,[benzyl(phenyl)amino]acetonitrile,N#CCN(Cc1ccccc1)c2ccccc2,N#CCN(Cc1ccccc1)c2ccccc2,"InChI=1/C15H14N2/c16-11-12-17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10H,12-13H2",C15H14N2,,,,,,GNBSIDZPFKKPIP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.627,254-609-3,39736-25-9,Heptyl phenylacetate,heptyl phenylacetate,CCCCCCCOC(=O)Cc1ccccc1,CCCCCCCOC(=O)Cc1ccccc1,"InChI=1/C15H22O2/c1-2-3-4-5-9-12-17-15(16)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3",C15H22O2,,,,,,MFCMCQJYPOAXCB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.629,254-611-4,39741-91-8,(iodomethyl)trimethylammonium iodide,"iodo-N,N,N-trimethylmethanaminium iodide",[I-].C[N+](C)(C)CI,[I-].C[N+](C)(C)CI,"InChI=1/C4H11IN.HI/c1-6(2,3)4-5;/h4H2,1-3H3;1H/q+1;/p-1",C4H11IN.I,,,,,,IFVIWWQMNYZYFQ-UHFFFAOYSA-M,,,,,,,,,,,
100.049.630,254-613-5,39742-60-4,1-(ß-phenethyl)-4-piperidone,1-(2-phenylethyl)piperidin-4-one,O=C1CCN(CCc2ccccc2)CC1,O=C1CCN(CCc2ccccc2)CC1,"InChI=1/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2",C13H17NO,,,,,,YDJXNYNKKXZBMP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.030,253-952-6,38461-29-9,"2,4-dichloro-1-(2-nitrophenoxy)benzene","2,4-dichloro-1-(2-nitrophenoxy)benzene",[O-][N+](=O)c1ccccc1Oc2ccc(Cl)cc2Cl,[O-][N+](=O)c1ccccc1Oc2ccc(Cl)cc2Cl,InChI=1/C12H7Cl2NO3/c13-8-5-6-11(9(14)7-8)18-12-4-2-1-3-10(12)15(16)17/h1-7H,C12H7Cl2NO3,,,,,,UZUWTTGSBGJFLV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.031,253-953-1,38462-22-5,2-(1-mercapto-1-methylethyl)-5-methylcyclohexan-1-one,5-methyl-2-(1-methyl-1-sulfanylethyl)cyclohexanone,CC1CCC(C(=O)C1)C(C)(C)S,CC1CCC(C(=O)C1)C(C)(C)S,"InChI=1/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3",C10H18OS,,,,,,RVOKNSFEAOYULQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.032,253-954-7,38462-23-6,"4-(4,8-dimethylnona-3,7-dienyl)pyridine","4-(4,8-dimethylnona-3,7-dien-1-yl)pyridine",C/C(C)=C\\CCC(C)=CCCc1ccncc1,C/C(C)=C\CCC(C)=CCCc1ccncc1,"InChI=1/C16H23N/c1-14(2)6-4-7-15(3)8-5-9-16-10-12-17-13-11-16/h6,8,10-13H,4-5,7,9H2,1-3H3",C16H23N,,,,,,OVJCOXQJBRJIRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.044,253-967-8,38487-86-4,2-amino-4-chlorobenzonitrile,2-amino-4-chlorobenzonitrile,Nc1cc(Cl)ccc1C#N,Nc1cc(Cl)ccc1C#N,"InChI=1/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2",C7H5ClN2,,,,,,UZHALXIAWJOLLR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.046,253-969-9,38491-08-6,Ammonium dibutyl phosphate,ammonium dibutyl phosphate,[NH4+].CCCCOP(=O)([O-])OCCCC,[NH4+].CCCCOP(=O)([O-])OCCCC,"InChI=1/C8H19O4P.H3N/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);1H3",C8H19O4P.H3N,,,,,,BJZJJEXXRZTYME-UHFFFAOYSA-N,,,,,,,,,,,
100.049.060,253-985-6,38521-51-6,"2,3,4,5,6,a-hexabromotoluene","1,2,3,4,5-pentabromo-6-(bromomethyl)benzene",BrCc1c(Br)c(Br)c(Br)c(Br)c1Br,BrCc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1/C7H2Br6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2,C7H2Br6,,,,,,PYOIYKRKAHYOKO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.063,253-988-2,38533-41-4,Potassium p-acetylphenyl sulphate,potassium 4-acetylphenyl sulfate,[K+].CC(=O)c1ccc(OS(=O)(=O)[O-])cc1,[K+].CC(=O)c1ccc(OS(=O)(=O)[O-])cc1,"InChI=1/C8H8O5S.K/c1-6(9)7-2-4-8(5-3-7)13-14(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1",C8H8O5S.K,,,,,,ROAAZPXPHLVGPY-UHFFFAOYSA-M,,,,,,,,,,,
100.049.068,253-994-5,38550-34-4,"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane","1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane",CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3",C9H6F13I,,,,,,REPFTMOJFHVIBT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.929,258-240-9,52892-98-5,"2,2,4,4-tetramethyl-1,3-cyclobutanediyl bismethacrylate","2,2,4,4-tetramethylcyclobutane-1,3-diyl bis(2-methylacrylate)",CC(=C)C(=O)OC1C(C)(C)C(OC(=O)C(=C)C)C1(C)C,CC(=C)C(=O)OC1C(C)(C)C(OC(=O)C(=C)C)C1(C)C,"InChI=1/C16H24O4/c1-9(2)11(17)19-13-15(5,6)14(16(13,7)8)20-12(18)10(3)4/h13-14H,1,3H2,2,4-8H3",C16H24O4,,,,,,DGRRQUOLUFIUOH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.940,258-252-4,52908-82-4,Dihydro-5-methyl-5-pentylfuran-2(3H)-one,5-methyl-5-pentyldihydrofuran-2(3H)-one,CCCCCC1(C)CCC(=O)O1,CCCCCC1(C)CCC(=O)O1,"InChI=1/C10H18O2/c1-3-4-5-7-10(2)8-6-9(11)12-10/h3-8H2,1-2H3",C10H18O2,,,,,,QVWSNRKWLGEXCT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.941,258-254-5,52914-63-3,"N,N,N',N'-tetrakis(2-hydroxyethyl)nonanediamide","N,N,N',N'-tetrakis(2-hydroxyethyl)nonanediamide",OCCN(CCO)C(=O)CCCCCCCC(=O)N(CCO)CCO,OCCN(CCO)C(=O)CCCCCCCC(=O)N(CCO)CCO,"InChI=1/C17H34N2O6/c20-12-8-18(9-13-21)16(24)6-4-2-1-3-5-7-17(25)19(10-14-22)11-15-23/h20-23H,1-15H2",C17H34N2O6,,,,,,PQHUNAMOLSBIAU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.942,258-255-0,52918-29-3,8-[(methylphenyl)amino]naphthalene-1-sulphonic acid,8-[(2-methylphenyl)amino]naphthalene-1-sulfonic acid,Cc1ccccc1Nc2cccc3cccc(c23)S(=O)(=O)O,Cc1ccccc1Nc2cccc3cccc(c23)S(=O)(=O)O,"InChI=1/C17H15NO3S/c1-12-6-2-3-9-14(12)18-15-10-4-7-13-8-5-11-16(17(13)15)22(19,20)21/h2-11,18H,1H3,(H,19,20,21)",C17H15NO3S,,,,,,ZRZHMUUVTMPBLB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.944,258-257-1,52919-42-3,"2-methylenesuccinic acid, ester with propane-1,2-diol (1:2)",bis(2-hydroxypropyl) 2-methylenesuccinate,CC(O)COC(=O)CC(=C)C(=O)OCC(C)O,CC(O)COC(=O)CC(=C)C(=O)OCC(C)O,"InChI=1/C11H18O6/c1-7(11(15)17-6-9(3)13)4-10(14)16-5-8(2)12/h8-9,12-13H,1,4-6H2,2-3H3",C11H18O6,,,,,,QOLRMRIVONNWSS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.954,258-268-1,52942-37-7,"2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride","2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride",Cl.CCN1C(=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C1=O)CC,Cl.CCN1C(=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C1=O)CC,"InChI=1/C19H28ClN5O.ClH/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17;/h5,7-8,15H,3-4,6,9-14H2,1-2H3;1H",C19H28ClN5O.xClH,,,,,,BHKPQZVLIZKSAG-UHFFFAOYSA-N,,,,,,,,,,,
100.059.617,265-597-4,65180-69-0,"1-(4-amino-2-sulphophenyl)-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid","1-(4-amino-2-sulfophenyl)-5-oxo-4-[(2-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)c3ccccc3N=NC2\\C(=N/N(c1ccc(N)cc1S(O)(=O)=O)C2=O)C(O)=O,OS(=O)(=O)c3ccccc3N=NC2\C(=N/N(c1ccc(N)cc1S(O)(=O)=O)C2=O)C(O)=O,"InChI=1/C16H13N5O9S2/c17-8-5-6-10(12(7-8)32(28,29)30)21-15(22)13(14(20-21)16(23)24)19-18-9-3-1-2-4-11(9)31(25,26)27/h1-7,13H,17H2,(H,23,24)(H,25,26,27)(H,28,29,30)",C16H13N5O9S2,,,,,,YXPDUETWSLXPAL-UHFFFAOYSA-N,,,,,,,,,,,
100.059.619,265-600-9,65184-10-3,Teoprolol,"7-[3-({2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl}amino)butyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CC(CCn1cnc2N(C)C(=O)N(C)C(=O)c12)NCC(O)COc3cccc4[nH]c(C)cc34,CC(CCn1cnc2N(C)C(=O)N(C)C(=O)c12)NCC(O)COc3cccc4[nH]c(C)cc34,"InChI=1/C23H30N6O4/c1-14(8-9-29-13-25-21-20(29)22(31)28(4)23(32)27(21)3)24-11-16(30)12-33-19-7-5-6-18-17(19)10-15(2)26-18/h5-7,10,13-14,16,24,26,30H,8-9,11-12H2,1-4H3",C23H30N6O4,,,,,,HITMZSXZYGLDCV-UHFFFAOYSA-N,,,,,,,,,,,
100.059.622,265-604-0,65185-91-3,Trisodium trihydrogen bis(phosphate),trisodium trihydrogen bis(phosphate),[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/3Na.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+1;;/p-6",H3O4P.3/2Na,,,,,,LEAHFJQFYSDGGP-UHFFFAOYSA-H,,,,,,,,,,,
100.061.128,267-261-2,67828-39-1,"Methyl (2,4-dihydroxyphenyl)iminoacetate hydrochloride","methyl (2,4-dihydroxyphenyl)(imino)acetate hydrochloride",Cl.COC(=O)C(=N)c1ccc(O)cc1O,Cl.COC(=O)C(=N)c1ccc(O)cc1O,"InChI=1/C9H9NO4.ClH/c1-14-9(13)8(10)6-3-2-5(11)4-7(6)12;/h2-4,10-12H,1H3;1H",C9H9NO4.ClH,,,,,,FDLZWPISXDXKKF-UHFFFAOYSA-N,,,,,,,,,,,
100.061.136,267-270-1,67828-47-1,"2,5-dibutoxy-4-(1-pyrrolidinyl)aniline","2,5-dibutoxy-4-pyrrolidin-1-ylaniline",CCCCOc1cc(N2CCCC2)c(OCCCC)cc1N,CCCCOc1cc(N2CCCC2)c(OCCCC)cc1N,"InChI=1/C18H30N2O2/c1-3-5-11-21-17-14-16(20-9-7-8-10-20)18(13-15(17)19)22-12-6-4-2/h13-14H,3-12,19H2,1-2H3",C18H30N2O2,,,,,,LWCNNIJUQDICTR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.137,267-271-7,67828-49-3,"2,5-dibutoxy-4-(pyrrolidinyl)benzenediazonium tetrachlorozincate (2:1)","bis(2,5-dibutoxy-4-pyrrolidin-1-ylbenzenediazonium) tetrachlorozincate(2-)",CCCCOc1cc(N2CCCC2)c(OCCCC)cc1[N+]#N.CCCCOc3cc(N4CCCC4)c(OCCCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCCCOc1cc(N2CCCC2)c(OCCCC)cc1[N+]#N.CCCCOc3cc(N4CCCC4)c(OCCCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C18H28N3O2.4ClH.Zn/c2*1-3-5-11-22-17-14-16(21-9-7-8-10-21)18(13-15(17)20-19)23-12-6-4-2;;;;;/h2*13-14H,3-12H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H28N3O2.Cl4Zn/c2*1-3-5-11-22-17-14-16(21-9-7-8-10-21)18(13-15(17)20-19)23-12-6-4-2;1-5(2,3)4/h2*13-14H,3-12H2,1-2H3;/q2*+1;-2",C18H28N3O2.1/2Cl4Zn,,,,,,FWWYRDXGRQWBGG-UHFFFAOYSA-J,,,,,,,,,,,
100.061.138,267-272-2,67828-50-6,"1-(2,5-dibutoxy-4-nitrophenyl)pyrrolidine","1-(2,5-dibutoxy-4-nitrophenyl)pyrrolidine",CCCCOc1cc(c(OCCCC)cc1N2CCCC2)[N+](=O)[O-],CCCCOc1cc(c(OCCCC)cc1N2CCCC2)[N+](=O)[O-],"InChI=1/C18H28N2O4/c1-3-5-11-23-17-14-16(20(21)22)18(24-12-6-4-2)13-15(17)19-9-7-8-10-19/h13-14H,3-12H2,1-2H3",C18H28N2O4,,,,,,UNMQMJVEAHOWNC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.269,261-916-6,59756-60-4,1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-4-pyridone,1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4(1H)-one,CN1C=C(C(=O)C(=C1)c2cccc(c2)C(F)(F)F)c3ccccc3,CN1C=C(C(=O)C(=C1)c2cccc(c2)C(F)(F)F)c3ccccc3,"InChI=1/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3",C19H14F3NO,,,,,,YWBVHLJPRPCRSD-UHFFFAOYSA-N,,,,,,,,,,,
100.056.277,261-925-5,59772-75-7,(±)-a-(hydrazinomethyl)morpholine-4-ethanol,1-hydrazino-3-morpholin-4-ylpropan-2-ol,NNCC(O)CN1CCOCC1,NNCC(O)CN1CCOCC1,"InChI=1/C7H17N3O2/c8-9-5-7(11)6-10-1-3-12-4-2-10/h7,9,11H,1-6,8H2",C7H17N3O2,,,,,,QYBPJTWZQPDNTH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.286,261-934-4,59808-78-5,Tetrachlorocyclopentane,"1,2,3,4-tetrachlorocyclopentane",ClC1CC(Cl)C(Cl)C1Cl,ClC1CC(Cl)C(Cl)C1Cl,"InChI=1/C5H6Cl4/c6-2-1-3(7)5(9)4(2)8/h2-5H,1H2",C5H6Cl4,,,,,,ZFMWDTNZPKDVBU-UHFFFAOYSA-N,,,,,,,,,,,
100.056.294,261-943-3,59829-77-5,"Methyl trans-(±)-3-(dimethoxymethyl)-2,2-dimethylcyclopropanecarboxylate","methyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropanecarboxylate",COC(OC)C1C(C(=O)OC)C1(C)C,COC(OC)C1C(C(=O)OC)C1(C)C,"InChI=1/C10H18O4/c1-10(2)6(8(11)12-3)7(10)9(13-4)14-5/h6-7,9H,1-5H3",C10H18O4,,,,,,AOLAMWZAGOXVJB-UHFFFAOYSA-N,,,,,,,,,,,
100.056.295,261-944-9,59829-80-0,"Methyl stearate, monocarboxy derivative",2-(methoxycarbonyl)octadecanoic acid,CCCCCCCCCCCCCCCCC(C(=O)O)C(=O)OC,CCCCCCCCCCCCCCCCC(C(=O)O)C(=O)OC,"InChI=1/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(21)22)20(23)24-2/h18H,3-17H2,1-2H3,(H,21,22)",C20H38O4,,,,,,FALIQVJUFLUBRC-UHFFFAOYSA-N,,,,,,,,,,,
100.056.299,261-949-6,59836-94-1,6-amino-5-[(4-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-5-[(4-aminophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid,Nc1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O,Nc1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O,"InChI=1/C16H14N4O4S/c17-10-2-4-11(5-3-10)19-20-16-13(18)6-1-9-7-12(25(22,23)24)8-14(21)15(9)16/h1-8,21H,17-18H2,(H,22,23,24)",C16H14N4O4S,,,,,,SEBMYYJENAJZOW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.358,255-413-0,41503-32-6,6-bromo-1-ethylbenz[cd]indol-2(1H)-one,6-bromo-1-ethylbenzo[cd]indol-2(1H)-one,CCN1C(=O)c2cccc3c(Br)ccc1c23,CCN1C(=O)c2cccc3c(Br)ccc1c23,"InChI=1/C13H10BrNO/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2H2,1H3",C13H10BrNO,,,,,,KHABYXGVKDDLGT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.368,255-424-0,41519-23-7,(Z)-hex-3-enyl isobutyrate,hex-3-en-1-yl 2-methylpropanoate,CC\\C=C/CCOC(=O)C(C)C,CC\C=C/CCOC(=O)C(C)C,"InChI=1/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3",C10H18O2,,,,,,OSMAJVWUIUORGC-WAYWQWQTSA-N,,,,,,,,,,,
100.050.370,255-426-1,41522-01-4,"5,5'-[ethylenebis[oxy-4,1-phenylenecarbonylimino(5-methyl-2-sulpho-4,1-phenylene)azo]]bis[6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulphonic] acid","5,5'-{ethane-1,2-diylbis[oxy-4,1-phenylenecarbonylimino(5-methyl-2-sulfo-4,1-phenylene)diazene-2,1-diyl]}bis{6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulfonic acid}",OS(=O)(=O)c1cc(O)c%10c(c1)ccc(Nc2c(C)cccc2C)c%10N=Nc3cc(C)c(cc3S(O)(=O)=O)NC(=O)c4ccc(cc4)OCCOc5ccc(cc5)C(=O)Nc9cc(c(N=Nc7c8c(O)cc(cc8ccc7Nc6c(C)cccc6C)S(O)(=O)=O)cc9C)S(O)(=O)=O,OS(=O)(=O)c1cc(O)c%10c(c1)ccc(Nc2c(C)cccc2C)c%10N=Nc3cc(C)c(cc3S(O)(=O)=O)NC(=O)c4ccc(cc4)OCCOc5ccc(cc5)C(=O)Nc9cc(c(N=Nc7c8c(O)cc(cc8ccc7Nc6c(C)cccc6C)S(O)(=O)=O)cc9C)S(O)(=O)=O,"InChI=1/C66H58N8O18S4/c1-35-9-7-10-36(2)61(35)67-49-23-17-43-29-47(93(79,80)81)31-55(75)59(43)63(49)73-71-53-27-39(5)51(33-57(53)95(85,86)87)69-65(77)41-13-19-45(20-14-41)91-25-26-92-46-21-15-42(16-22-46)66(78)70-52-34-58(96(88,89)90)54(28-40(52)6)72-74-64-50(68-62-37(3)11-8-12-38(62)4)24-18-44-30-48(94(82,83)84)32-56(76)60(44)64/h7-24,27-34,67-68,75-76H,25-26H2,1-6H3,(H,69,77)(H,70,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)",C66H58N8O18S4,,,,,,GOUHVQUMGYNYPK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.011,258-331-3,53054-76-5,2-(4-pyridyl)ethanesulphonic acid,2-pyridin-4-ylethanesulfonic acid,OS(=O)(=O)CCc1ccncc1,OS(=O)(=O)CCc1ccncc1,"InChI=1/C7H9NO3S/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11)",C7H9NO3S,,,,,,RGIIAYDCZSXHGL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.020,258-341-8,53067-10-0,"3,7-dimethyloctane-1,6-diol","3,7-dimethyloctane-1,6-diol",CC(C)C(O)CCC(C)CCO,CC(C)C(O)CCC(C)CCO,"InChI=1/C10H22O2/c1-8(2)10(12)5-4-9(3)6-7-11/h8-12H,4-7H2,1-3H3",C10H22O2,,,,,,NNEAXJVXQGZFAF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.021,258-342-3,53067-74-6,"5-ethyl-3,4-dihydro-4,4-diphenyl-2H-pyrrole","5-ethyl-4,4-diphenyl-3,4-dihydro-2H-pyrrole",CCC1=NCCC1(c2ccccc2)c3ccccc3,CCC1=NCCC1(c2ccccc2)c3ccccc3,"InChI=1/C18H19N/c1-2-17-18(13-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3",C18H19N,,,,,,ZSZDLICNXAEVQW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.022,258-343-9,53074-96-7,Ethyl 1-piperidineoxoacetate,ethyl oxo(piperidin-1-yl)acetate,CCOC(=O)C(=O)N1CCCCC1,CCOC(=O)C(=O)N1CCCCC1,"InChI=1/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3",C9H15NO3,,,,,,ASBDXHCMVYVJQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.026,258-348-6,53077-21-7,4-[2-(6-methoxy-2-naphthyl)-1-thioxoethyl]morpholine,4-[2-(6-methoxy-2-naphthyl)ethanethioyl]morpholine,COc1ccc2cc(CC(=S)N3CCOCC3)ccc2c1,COc1ccc2cc(CC(=S)N3CCOCC3)ccc2c1,"InChI=1/C17H19NO2S/c1-19-16-5-4-14-10-13(2-3-15(14)12-16)11-17(21)18-6-8-20-9-7-18/h2-5,10,12H,6-9,11H2,1H3",C17H19NO2S,,,,,,ZUOMFDWEUYBZOW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.033,258-355-4,53092-52-7,"(2E,4E)-(±)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid","11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid",COC(C)(C)CCCC(C)CC=CC(=CC(=O)O)C,COC(C)(C)CCCC(C)CC=CC(=CC(=O)O)C,"InChI=1/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)",C16H28O3,,,,,,MNYBEULOKRVZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.041,258-364-3,53103-58-5,Methyl 2-hydroxy-3-methyl-4-oxocyclohex-2-ene-1-carboxylate,methyl 2-hydroxy-3-methyl-4-oxocyclohex-2-ene-1-carboxylate,COC(=O)C1CCC(=O)C(=C1O)C,COC(=O)C1CCC(=O)C(=C1O)C,"InChI=1/C9H12O4/c1-5-7(10)4-3-6(8(5)11)9(12)13-2/h6,11H,3-4H2,1-2H3",C9H12O4,,,,,,RPPMIZUMAXAWTB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.043,258-366-4,53106-13-1,N-[2-[[4-[(dimethylamino)sulphonyl]-2-nitrophenyl]thio]phenyl]formamide,"4-[(2-formamidophenyl)sulfanyl]-N,N-dimethyl-3-nitrobenzenesulfonamide",CN(C)S(=O)(=O)c1ccc(Sc2ccccc2NC=O)c(c1)[N+](=O)[O-],CN(C)S(=O)(=O)c1ccc(Sc2ccccc2NC=O)c(c1)[N+](=O)[O-],"InChI=1/C15H15N3O5S2/c1-17(2)25(22,23)11-7-8-15(13(9-11)18(20)21)24-14-6-4-3-5-12(14)16-10-19/h3-10H,1-2H3,(H,16,19)",C15H15N3O5S2,,,,,,KWISCMZQXDJACS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.044,258-368-5,53108-50-2,"Hydrogen [N,N-bis(carboxymethyl)glycinato(3-)-N,O,O',O'']cobaltate(1-)","[2,2',2''-nitrilotriacetato(2-)]cobalt",OC(=O)CN1CC(=O)O[Co]OC(=O)C1,OC(=O)CN1CC(=O)O[Co]OC(=O)C1,"InChI=1/C6H9NO6.Co/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+2/p-2",C6H6CoNO6.H,,,,,,KBRVZMLUGBMYEF-UHFFFAOYSA-L,,,,,,,,,,,
100.053.045,258-369-0,53109-18-5,"5-(3,5-di-sec-butylcyclopent-1-enyl)-5-hydroxy-3-oxovaleric acid","5-(3,5-di-sec-butylcyclopent-1-en-1-yl)-5-hydroxy-3-oxopentanoic acid",CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(=O)CC(=O)O,CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(=O)CC(=O)O,"InChI=1/C18H30O4/c1-5-11(3)13-7-15(12(4)6-2)16(8-13)17(20)9-14(19)10-18(21)22/h8,11-13,15,17,20H,5-7,9-10H2,1-4H3,(H,21,22)",C18H30O4,,,,,,MQETZQLZTJUQHR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.054,258-379-5,53126-06-0,"Phosphoric acid, butyl ester, potassium salt",potassium butyl hydrogen phosphate,[K+].CCCCOP(=O)(O)[O-],[K+].CCCCOP(=O)(O)[O-],"InChI=1/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-1",-,,,,,,XAACWXXRFIOVSG-UHFFFAOYSA-M,,,,,,,,,,,
100.049.633,254-616-1,39748-49-7,(±)-3-methyl-2-oxovaleric acid,3-methyl-2-oxopentanoic acid,CCC(C)C(=O)C(=O)O,CCC(C)C(=O)C(=O)O,"InChI=1/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",C6H10O3,,,,,,JVQYSWDUAOAHFM-UHFFFAOYSA-N,Negative,,,,,,ML001451,[M-H]-,HCD50,129.0555:129.0198:85.0295,MetaboLights
100.049.636,254-619-8,39750-11-3,Bis[4-[(2H3)methoxy)](2H4)phenyl]diazonium 1-oxide,1-methoxy-4-[(4-methoxyphenyl)-NNO-azoxy]benzene,COc1ccc(cc1)N=N(=O)c2ccc(OC)cc2,COc1ccc(cc1)N=N(=O)c2ccc(OC)cc2,"InChI=1/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3",C14D14N2O3,,,,,,KAEZRSFWWCTVNP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.643,254-627-1,39776-82-4,"[1S-(1a,2a,3a,5a)]-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate","2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate",CC1C(CC2CC1C2(C)C)OC(=O)C,CC1C(CC2CC1C2(C)C)OC(=O)C,"InChI=1/C12H20O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3",C12H20O2,,,,,,KKZUXVTWZQWUSI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.320,254-271-7,39068-93-4,Methyl 2-(dimethylamino)-2-phenylbutyrate,methyl 2-(dimethylamino)-2-phenylbutanoate,CCC(N(C)C)(C(=O)OC)c1ccccc1,CCC(N(C)C)(C(=O)OC)c1ccccc1,"InChI=1/C13H19NO2/c1-5-13(14(2)3,12(15)16-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3",C13H19NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17928,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.320,FFMPNRLNKDYDJN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.321,254-272-2,39068-94-5,ß-(dimethylamino)-ß-ethylphenethyl alcohol,2-(dimethylamino)-2-phenylbutan-1-ol,CCC(CO)(N(C)C)c1ccccc1,CCC(CO)(N(C)C)c1ccccc1,"InChI=1/C12H19NO/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3",C12H19NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18054,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.321,JDCWNZJOVSBOLK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.325,254-276-4,39082-00-3,4-chloroacetoacetanilide,N-[4-(chloroacetyl)phenyl]acetamide,CC(=O)Nc1ccc(cc1)C(=O)CCl,CC(=O)Nc1ccc(cc1)C(=O)CCl,"InChI=1/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)",C10H10ClNO2,,,,,,VMMDOCYDNRLESP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.346,254-300-3,39118-26-8,"Guanosine cyclic 3',5'-(hydrogen phosphate) 2'-(hydrogen succinate)","4-{[6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy}-4-oxobutanoic acid",NC1=Nc2c(ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC(=O)O)C(=O)N1,NC1=Nc2c(ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC(=O)O)C(=O)N1,"InChI=1/C14H16N5O10P/c15-14-17-11-8(12(23)18-14)16-4-19(11)13-10(28-7(22)2-1-6(20)21)9-5(27-13)3-26-30(24,25)29-9/h4-5,9-10,13H,1-3H2,(H,20,21)(H,24,25)(H3,15,17,18,23)",C14H16N5O10P,,,,,,JXBAIDPTIVEYLH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.498,256-667-5,50632-92-3,"N,N,7-trimethyl-1,2,4-benzotriazin-3-amine 1-oxide","N,N,7-trimethyl-1,2,4-benzotriazin-3-amine 1-oxide",CN(C)c1nc2ccc(C)cc2[n+]([O-])n1,CN(C)c1nc2ccc(C)cc2[n+]([O-])n1,"InChI=1/C10H12N4O/c1-7-4-5-8-9(6-7)14(15)12-10(11-8)13(2)3/h4-6H,1-3H3",C10H12N4O,,,,,,JXTRWBHIQTVXTI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.499,256-668-0,50634-05-4,"Tetrahydro-2,5-dimethoxyfuran-3-carbaldehyde","2,5-dimethoxytetrahydrofuran-3-carbaldehyde",COC1CC(C=O)C(OC)O1,COC1CC(C=O)C(OC)O1,"InChI=1/C7H12O4/c1-9-6-3-5(4-8)7(10-2)11-6/h4-7H,3H2,1-2H3",C7H12O4,,,,,,QMIGEDXMDGEZSR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.256,258-600-5,53518-18-6,"2,3,6,7-tetrahydro-9-(trifluoromethyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one","9-(trifluoromethyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one",FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34,FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34,"InChI=1/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2",C16H14F3NO2,,,,,,VSSSHNJONFTXHS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.257,258-601-0,53518-19-7,"6,7,8,9-tetrahydro-9-methyl-4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one","9-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one",CN1CCCc2cc3C(=CC(=O)Oc3cc12)C(F)(F)F,CN1CCCc2cc3C(=CC(=O)Oc3cc12)C(F)(F)F,"InChI=1/C14H12F3NO2/c1-18-4-2-3-8-5-9-10(14(15,16)17)6-13(19)20-12(9)7-11(8)18/h5-7H,2-4H2,1H3",C14H12F3NO2,,,,,,IMVPLRZGEHZIEM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.262,258-606-8,53524-27-9,2-amino-4-chloro-5-methylphenol,2-amino-4-chloro-5-methylphenol,Cc1cc(O)c(N)cc1Cl,Cc1cc(O)c(N)cc1Cl,"InChI=1/C7H8ClNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3",C7H8ClNO,,,,,,QDGJHZNOQSIFAT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.275,258-622-5,53543-44-5,(Z)-5-chloropent-2-ene,5-chloropent-2-ene,C\\C=C/CCCl,C\C=C/CCCl,"InChI=1/C5H9Cl/c1-2-3-4-5-6/h2-3H,4-5H2,1H3",C5H9Cl,,,,,,QTRJVMJEBVLXOK-IHWYPQMZSA-N,,,,,,,,,,,
100.053.279,258-626-7,53558-25-1,1-(4-nitrophenyl)-3-(3-pyridylmethyl)urea,1-(4-nitrophenyl)-3-(pyridin-3-ylmethyl)urea,[O-][N+](=O)c1ccc(NC(=O)NCc2cccnc2)cc1,[O-][N+](=O)c1ccc(NC(=O)NCc2cccnc2)cc1,"InChI=1/C13H12N4O3/c18-13(15-9-10-2-1-7-14-8-10)16-11-3-5-12(6-4-11)17(19)20/h1-8H,9H2,(H2,15,16,18)",C13H12N4O3,,,,,,CLKZWXHKFXZIMA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.281,258-628-8,53562-86-0,Methyl (S)-3-hydroxybutyrate,methyl 3-hydroxybutanoate,COC(=O)C[C@H](C)O,COC(=O)C[C@H](C)O,"InChI=1/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3",C5H10O3,,,,,,LDLDJEAVRNAEBW-BYPYZUCNSA-N,,,,,,,,,,,
100.052.956,258-270-2,52951-38-9,Bismuth trioleate,bismuth(3+) trioctadec-9-enoate,[BiH3+3].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[BiH3+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O2.Bi.3H/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);;;;/q;;;+3;;;/p-3/r3C18H34O2.BiH3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);1H3/q;;;+3/p-3",C18H34O2.1/3Bi,,,,,,UPYRRDBDKMMVRX-FLONPZDISA-K,,,,,,,,,,,
100.052.961,258-276-5,52956-81-7,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl acrylate",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C16H7F23O2/c1-2-5(40)41-4-3-6(17,18)8(20,21)10(24,25)12(28,29)14(32,33)13(30,31)11(26,27)9(22,23)7(19,15(34,35)36)16(37,38)39/h2H,1,3-4H2",C16H7F23O2,,,,,,SFACOKSPHOGYDO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.967,258-282-8,52964-39-3,2-bromo-N-(4-ethoxyphenyl)-3-methylbutyramide,2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide,CCOc1ccc(NC(=O)C(Br)C(C)C)cc1,CCOc1ccc(NC(=O)C(Br)C(C)C)cc1,"InChI=1/C13H18BrNO2/c1-4-17-11-7-5-10(6-8-11)15-13(16)12(14)9(2)3/h5-9,12H,4H2,1-3H3,(H,15,16)",C13H18BrNO2,,,,,,YSNUIYSGRLFLTI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.968,258-283-3,52972-16-4,"2,2-dimethoxynonane","2,2-dimethoxynonane",CCCCCCCC(C)(OC)OC,CCCCCCCC(C)(OC)OC,"InChI=1/C11H24O2/c1-5-6-7-8-9-10-11(2,12-3)13-4/h5-10H2,1-4H3",C11H24O2,,,,,,WGTYPPXGEJLTCK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.291,255-338-3,41376-08-3,Diethoxytetraphenyldisiloxane,"1,1-diethoxy-1,3,3,3-tetraphenyldisiloxane",CCO[Si](OCC)(O[Si](c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4,CCO[Si](OCC)(O[Si](c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C28H30O3Si2/c1-3-29-33(30-4-2,28-23-15-8-16-24-28)31-32(25-17-9-5-10-18-25,26-19-11-6-12-20-26)27-21-13-7-14-22-27/h5-24H,3-4H2,1-2H3",C28H30O3Si2,,,,,,PMCQHKGXMZGXSO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.295,255-343-0,41378-98-7,"1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine","1,3,5,7-tetraacetyl-1,3,5,7-tetrazocane",CC(=O)N1CN(CN(CN(C1)C(=O)C)C(=O)C)C(=O)C,CC(=O)N1CN(CN(CN(C1)C(=O)C)C(=O)C)C(=O)C,"InChI=1/C12H20N4O4/c1-9(17)13-5-14(10(2)18)7-16(12(4)20)8-15(6-13)11(3)19/h5-8H2,1-4H3",C12H20N4O4,,,,,,YRXAGMCNKRPUKD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.296,255-344-6,41380-06-7,Copper(1+) acrylate,copper(1+) acrylate,[Cu+].[O-]C(=O)C=C,[Cu+].[O-]C(=O)C=C,"InChI=1/C3H4O2.Cu/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1",C3H4O2.Cu,,,,,,HEAHPHJFYAQWNS-UHFFFAOYSA-M,,,,,,,,,,,
100.050.306,255-355-6,41414-72-6,(E)-2-methylpent-2-en-1-yl acetate,2-methylpent-2-en-1-yl acetate,CC\\C=C(/C)\\COC(=O)C,CC\C=C(/C)\COC(=O)C,"InChI=1/C8H14O2/c1-4-5-7(2)6-10-8(3)9/h5H,4,6H2,1-3H3",C8H14O2,,,,,,SLNZJIRRMLAZEY-FNORWQNLSA-N,,,,,,,,,,,
100.050.315,255-365-0,41434-28-0,"5,5-dimethyl-2-thioxothiazolidin-4-one","5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-one",CC1(C)SC(=S)NC1=O,CC1(C)SC(=S)NC1=O,"InChI=1/C5H7NOS2/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)",C5H7NOS2,,,,,,QAZFSCRQNWGQDE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.317,255-367-1,41444-50-2,Octyl glucoside,octyl hexopyranoside,CCCCCCCCOC1OC(CO)C(O)C(O)C1O,CCCCCCCCOC1OC(CO)C(O)C(O)C1O,"InChI=1/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3",C14H28O6,,,,,,HEGSGKPQLMEBJL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.324,255-375-5,41453-50-3,"Lead bis(2,4-dihydroxybenzoate)",-,[Pb+2].O=C([O-])c1ccc(O)cc1O.[O-]C(=O)c1ccc(O)cc1O,[Pb+2].O=C([O-])c1ccc(O)cc1O.[O-]C(=O)c1ccc(O)cc1O,"InChI=1/2C7H6O4.Pb.2H/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;/h2*1-3,8-9H,(H,10,11);;;/q;;+4;;/p-2/r2C7H6O4.H2Pb/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,8-9H,(H,10,11);1H2/q;;+4/p-2",C7H6O4.1/2Pb,,,,,,CQGXUYYUUPEUIH-UHFFFAOYSA-L,,,,,,,,,,,
100.052.091,257-319-5,51608-18-5,(E)-2-(pent-2-enyl)cyclopentan-1-one,2-pent-2-en-1-ylcyclopentanone,CC\\C=C\\CC1CCCC1=O,CC\C=C\CC1CCCC1=O,"InChI=1/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h3-4,9H,2,5-8H2,1H3",C10H16O,,,,,,ZIJOSCABGITYIL-ONEGZZNKSA-N,,,,,,,,,,,
100.052.097,257-325-8,51627-20-4,Cefaparole,"7-{[amino(4-hydroxyphenyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](N)c4ccc(O)cc4)C3=O)C(=O)O)s1,Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](N)c4ccc(O)cc4)C3=O)C(=O)O)s1,"InChI=1/C19H19N5O5S3/c1-8-22-23-19(32-8)31-7-10-6-30-17-13(16(27)24(17)14(10)18(28)29)21-15(26)12(20)9-2-4-11(25)5-3-9/h2-5,12-13,17,25H,6-7,20H2,1H3,(H,21,26)(H,28,29)",C19H19N5O5S3,,,,,,SBUCDZYLTRYMFG-PBFPGSCMSA-N,,,,,,,,,,,
100.052.103,257-332-6,51639-48-6,Piperazin-4-ylacetophenone,1-(4-piperazin-1-ylphenyl)ethanone,CC(=O)c1ccc(cc1)N2CCNCC2,CC(=O)c1ccc(cc1)N2CCNCC2,"InChI=1/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3",C12H16N2O,,,,,,KPXVKKBJROCIJB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.106,257-335-2,51650-46-5,Magnesium p-toluenesulphonate,magnesium bis(4-methylbenzenesulfonate),[Mg+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],[Mg+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C7H8O3S.Mg/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",C7H8O3S.1/2Mg,,,,,,WJQZISRFIXEZLJ-UHFFFAOYSA-L,,,,,,,,,,,
100.056.300,261-950-1,59839-39-3,"2-acetyl-1,2,3,4-tetrahydro-6-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-7-methoxyisoquinoline","1-[(2-acetyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)oxy]-3-(isopropylamino)propan-2-ol",COc1cc2CN(CCc2cc1OCC(O)CNC(C)C)C(=O)C,COc1cc2CN(CCc2cc1OCC(O)CNC(C)C)C(=O)C,"InChI=1/C18H28N2O4/c1-12(2)19-9-16(22)11-24-18-7-14-5-6-20(13(3)21)10-15(14)8-17(18)23-4/h7-8,12,16,19,22H,5-6,9-11H2,1-4H3",C18H28N2O4,,,,,,BMVPUDSSHJZURY-UHFFFAOYSA-N,,,,,,,,,,,
100.056.302,261-952-2,59848-65-6,"5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran","6-isobutyl-4-methyl-3,6-dihydro-2H-pyran",CC(C)CC1OCCC(=C1)C,CC(C)CC1OCCC(=C1)C,"InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h7-8,10H,4-6H2,1-3H3",C10H18O,,,,,,DGADRHUEAJVDQN-UHFFFAOYSA-N,,,,,,,,,,,
100.056.303,261-953-8,59848-66-7,Tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran,2-isobutyl-4-methylenetetrahydro-2H-pyran,CC(C)CC1CC(=C)CCO1,CC(C)CC1CC(=C)CCO1,"InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h8,10H,3-7H2,1-2H3",C10H18O,,,,,,MMDIPEMQOQIJRH-UHFFFAOYSA-N,,,,,,,,,,,
100.056.305,261-955-9,59850-14-5,5-nitro-o-toluidine sulphate (1:1),-,Cc1ccc(cc1N)[N+](=O)[O-].[O-]S(=O)(=O)[O-],Cc1ccc(cc1N)[N+](=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/C7H8N2O2.H2O4S/c1-5-2-3-6(9(10)11)4-7(5)8;1-5(2,3)4/h2-4H,8H2,1H3;(H2,1,2,3,4)/p-2",C7H8N2O2.H2O4S,,,,,,JNISSFMGFHAVBD-UHFFFAOYSA-L,,,,,,,,,,,
100.056.309,261-960-6,59863-33-1,"1-[2,4-bis(isopropyl)phenyl]butane-1,3-dione","1-(2,4-diisopropylphenyl)butane-1,3-dione",CC(C)c1ccc(C(=O)CC(=O)C)c(c1)C(C)C,CC(C)c1ccc(C(=O)CC(=O)C)c(c1)C(C)C,"InChI=1/C16H22O2/c1-10(2)13-6-7-14(15(9-13)11(3)4)16(18)8-12(5)17/h6-7,9-11H,8H2,1-5H3",C16H22O2,,,,,,GRBRKEAQOBQUOU-UHFFFAOYSA-N,,,,,,,,,,,
100.057.714,263-505-7,62318-94-9,"3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-oxirane]","3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-oxirane]",CC1(C)C2CCC(C2)C13CO3,CC1(C)C2CCC(C2)C13CO3,"InChI=1/C10H16O/c1-9(2)7-3-4-8(5-7)10(9)6-11-10/h7-8H,3-6H2,1-2H3",C10H16O,,,,,,ISNKNHAUYOWDHN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.727,263-519-3,62351-05-7,"(2,3-epoxypropyl)[2-(methacryloyloxy)ethyl]dimethylammonium chloride","2-(methacryloyloxy)-N,N-dimethyl-N-(oxiran-2-ylmethyl)ethanaminium chloride",[Cl-].CC(=C)C(=O)OCC[N+](C)(C)CC1CO1,[Cl-].CC(=C)C(=O)OCC[N+](C)(C)CC1CO1,"InChI=1/C11H20NO3.ClH/c1-9(2)11(13)14-6-5-12(3,4)7-10-8-15-10;/h10H,1,5-8H2,2-4H3;1H/q+1;/p-1",C11H20NO3.Cl,,,,,,YVPHBTUFPWLPEY-UHFFFAOYSA-M,,,,,,,,,,,
100.057.730,263-523-5,62359-01-7,Ethyldiisopropylammonium p-toluenesulphonate,N-ethyl-N-isopropylpropan-2-aminium 4-methylbenzenesulfonate,CC[NH+](C(C)C)C(C)C.Cc1ccc(cc1)S(=O)(=O)[O-],CC[NH+](C(C)C)C(C)C.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C8H19N.C7H8O3S/c1-6-9(7(2)3)8(4)5;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,6H2,1-5H3;2-5H,1H3,(H,8,9,10)",C8H19N.C7H8O3S,,,,,,WALRQYFNEKCLGF-UHFFFAOYSA-N,,,,,,,,,,,
100.057.731,263-524-0,62361-02-8,"Methyl 2,2,3,3,4,4-hexafluoro-4-[1,2,2-trifluoro-2-[(trifluorovinyl)oxy]-1-(trifluoromethyl)ethoxy]butyrate","methyl 4-(1-{difluoro[(trifluorovinyl)oxy]methyl}-1,2,2,2-tetrafluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoate",COC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=C(F)F)F,COC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=C(F)F)F,"InChI=1/C10H3F15O4/c1-27-4(26)5(14,15)6(16,17)9(22,23)29-7(18,8(19,20)21)10(24,25)28-3(13)2(11)12/h1H3",C10H3F15O4,,,,,,GHVOMBWCWWGKJR-UHFFFAOYSA-N,,,,,,,,,,,
100.057.736,263-529-8,62391-99-5,2-isopropylvaleric acid,2-isopropylpentanoic acid,CCCC(C(C)C)C(=O)O,CCCC(C(C)C)C(=O)O,"InChI=1/C8H16O2/c1-4-5-7(6(2)3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)",C8H16O2,,,,,,ODPKTGAWWHZBOY-UHFFFAOYSA-N,,,,,,,,,,,
100.057.738,263-531-9,62403-86-5,2'-bromopropiophenone,1-(2-bromophenyl)propan-1-one,CCC(=O)c1ccccc1Br,CCC(=O)c1ccccc1Br,"InChI=1/C9H9BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3",C9H9BrO,,,,,,SFCCOHHWKRVDHH-UHFFFAOYSA-N,,,,,,,,,,,
100.057.741,263-535-0,62406-84-2,"8-(1,1-dimethylethyl)-2,3-dimethyl-1,4-dioxaspiro[4.5]decane","8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane",CC1OC2(CCC(CC2)C(C)(C)C)OC1C,CC1OC2(CCC(CC2)C(C)(C)C)OC1C,"InChI=1/C14H26O2/c1-10-11(2)16-14(15-10)8-6-12(7-9-14)13(3,4)5/h10-12H,6-9H2,1-5H3",C14H26O2,,,,,,RTRJMEYMKAXBNK-UHFFFAOYSA-N,,,,,,,,,,,
100.057.742,263-536-6,62409-09-0,Bis[(9R)-9-hydroxy-6'-methoxycinchonanium] sulphate,bis(6'-methoxycinchonan-1-ium-9-ol) sulfate,COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@H]7C[C@@H]8CC[N@H+]7C[C@@H]8C=C)c6c5.[O-]S(=O)(=O)[O-],COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@H]7C[C@@H]8CC[N@H+]7C[C@@H]8C=C)c6c5.[O-]S(=O)(=O)[O-],"InChI=1/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)",C20H24N2O2.1/2H2O4S,,,,,,RONWGALEIBILOG-UFDQHHKRSA-N,,,,,,,,,,,
100.057.747,263-541-3,62437-99-4,2-pyridone hydrazone dihydrochloride,"2-hydrazono-1,2-dihydropyridine dihydrochloride",Cl.Cl.NN=C1/C=C\\C=C/N1,Cl.Cl.NN=C1/C=C\C=C/N1,"InChI=1/C5H7N3.2ClH/c6-8-5-3-1-2-4-7-5;;/h1-4H,6H2,(H,7,8);2*1H",C5H7N3.2ClH,,,,,,SUVYLXNNAGHJDN-UHFFFAOYSA-N,,,,,,,,,,,
100.057.749,263-543-4,62439-35-4,p-cyanophenyl trans-4-pentylcyclohexanecarboxylate,4-cyanophenyl 4-pentylcyclohexanecarboxylate,CCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(cc2)C#N,CCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(cc2)C#N,"InChI=1/C19H25NO2/c1-2-3-4-5-15-6-10-17(11-7-15)19(21)22-18-12-8-16(14-20)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3",C19H25NO2,,,,,,JRNQQLWJXYJSRU-JCNLHEQBSA-N,,,,,,,,,,,
100.053.055,258-380-0,53126-67-3,"Phosphoric acid, butyl ester, sodium salt",sodium butyl hydrogen phosphate,[Na+].CCCCOP(=O)(O)[O-],[Na+].CCCCOP(=O)(O)[O-],"InChI=1/C4H11O4P.Na/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-1",-,,,,,,GEKVJYLMCASORH-UHFFFAOYSA-M,,,,,,,,,,,
100.049.117,254-047-9,38635-54-0,"[(2,4-dichlorobenzylidene)(2-nitro-4-trifluorobenzyl)]acetic acid","3-(2,4-dichlorophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]acrylic acid",OC(=O)C(=Cc1ccc(Cl)cc1Cl)c2ccc(cc2N(=O)=O)C(F)(F)F,OC(=O)C(=Cc1ccc(Cl)cc1Cl)c2ccc(cc2N(=O)=O)C(F)(F)F,"InChI=1/C16H8Cl2F3NO4/c17-10-3-1-8(13(18)7-10)5-12(15(23)24)11-4-2-9(16(19,20)21)6-14(11)22(25)26/h1-7H,(H,23,24)",C16H8Cl2F3NO4,,,,,,SBYBKHAGFBTYMA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.626,255-707-9,42204-14-8,Rhodium acetate,rhodium(2+) diacetate,[Rh+2].CC(=O)[O-].CC(=O)[O-],[Rh+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Rh/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.xRh,,,,,,ITDJKCJYYAQMRO-UHFFFAOYSA-L,,,,,,,,,,,
100.050.636,255-718-9,42231-48-1,Nonyl decanoate,nonyl decanoate,CCCCCCCCCOC(=O)CCCCCCCCC,CCCCCCCCCOC(=O)CCCCCCCCC,"InChI=1/C19H38O2/c1-3-5-7-9-11-13-15-17-19(20)21-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",C19H38O2,,,,,,JZHKSJXMXQZMCR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.638,255-721-5,42231-74-3,Nonyl laurate,nonyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCC,CCCCCCCCCCCC(=O)OCCCCCCCCC,"InChI=1/C21H42O2/c1-3-5-7-9-11-12-13-15-17-19-21(22)23-20-18-16-14-10-8-6-4-2/h3-20H2,1-2H3",C21H42O2,,,,,,LZFVXMOMDUCLJV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.652,255-736-7,42249-61-6,Resorcin blue,7-hydroxy-3H-phenoxazin-3-one,Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1,Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1,"InChI=1/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H",C12H7NO3.H3N,,,,,,HSSLDCABUXLXKM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.658,255-743-5,42270-37-1,1-(thiazol-2-yl)piperazine,"1-(1,3-thiazol-2-yl)piperazine",C1CN(CCN1)c2nccs2,C1CN(CCN1)c2nccs2,"InChI=1/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2",C7H11N3S,,,,,,WQFWIVTXNKRNJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.659,255-744-0,42270-85-9,"1,4-butanediyl bis(cyanoacetate)","butane-1,4-diyl bis(cyanoacetate)",O=C(CC#N)OCCCCOC(=O)CC#N,O=C(CC#N)OCCCCOC(=O)CC#N,"InChI=1/C10H12N2O4/c11-5-3-9(13)15-7-1-2-8-16-10(14)4-6-12/h1-4,7-8H2",C10H12N2O4,,,,,,PKRAUMGVQZMFDE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.661,255-746-1,42275-79-6,"2,2-dichloro-N-ethylacetamide","2,2-dichloro-N-ethylacetamide",CCNC(=O)C(Cl)Cl,CCNC(=O)C(Cl)Cl,"InChI=1/C4H7Cl2NO/c1-2-7-4(8)3(5)6/h3H,2H2,1H3,(H,7,8)",C4H7Cl2NO,,,,,,HOKASXOKIJKOCM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.536,253-408-8,37220-90-9,"Silicic acid, lithium magnesium salt",-,[Li+].[Mg+2].[O-][Si](=O)[O-],[Li+].[Mg+2].[O-][Si](=O)[O-],InChI=1/Li.Mg.O3Si/c;;1-4(2)3/q+1;+2;-2,-,,,,,,JZQNHICHACJNPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.559,253-435-5,37275-47-1,"2-ethyl-2-(hydroxymethyl)-1,3-propanediyl diacrylate",2-[(acryloyloxy)methyl]-2-(hydroxymethyl)butyl acrylate (non-preferred name),CCC(CO)(COC(=O)C=C)COC(=O)C=C,CCC(CO)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C12H18O5/c1-4-10(14)16-8-12(6-3,7-13)9-17-11(15)5-2/h4-5,13H,1-2,6-9H2,3H3",C12H18O5,,,,,,TUOBEAZXHLTYLF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.875,257-081-2,51246-77-6,4-hydroxyphenyl 4-pyridyl ketone,(4-hydroxyphenyl)(pyridin-4-yl)methanone,Oc1ccc(cc1)C(=O)c2ccncc2,Oc1ccc(cc1)C(=O)c2ccncc2,"InChI=1/C12H9NO2/c14-11-3-1-9(2-4-11)12(15)10-5-7-13-8-6-10/h1-8,14H",C12H9NO2,,,,,,LLLTWNAZYHQOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.876,257-082-8,51247-58-6,"Calcium bis[2,4-diaminobenzenesulphonate]","calcium bis(2,4-diaminobenzenesulfonate)",[Ca+2].Nc1ccc(c(N)c1)S(=O)(=O)[O-].Nc2ccc(c(N)c2)S(=O)(=O)[O-],[Ca+2].Nc1ccc(c(N)c1)S(=O)(=O)[O-].Nc2ccc(c(N)c2)S(=O)(=O)[O-],"InChI=1/2C6H8N2O3S.Ca/c2*7-4-1-2-6(5(8)3-4)12(9,10)11;/h2*1-3H,7-8H2,(H,9,10,11);/q;;+2/p-2",C6H8N2O3S.1/2Ca,,,,,,MOULIFDXMDLHBH-UHFFFAOYSA-L,,,,,,,,,,,
100.051.881,257-088-0,51250-21-6,Lithium icosanoate,lithium icosanoate,[Li+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Li+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C20H40O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1",C20H40O2.Li,,,,,,ZBLQKJWIDYWXJF-UHFFFAOYSA-M,,,,,,,,,,,
100.051.883,257-090-1,51251-96-8,Bis(phenylmethyl)phenol,"2,3-dibenzylphenol",Oc1cccc(Cc2ccccc2)c1Cc3ccccc3,Oc1cccc(Cc2ccccc2)c1Cc3ccccc3,"InChI=1/C20H18O/c21-20-13-7-12-18(14-16-8-3-1-4-9-16)19(20)15-17-10-5-2-6-11-17/h1-13,21H,14-15H2",C20H18O,,,,,,PGEBXGLGFFYYFX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.889,257-096-4,51265-22-6,"1,1'-(1,3-phenylene)bis[3-methylpyrrolidine-2,5-dione]","1,1'-(1,3-phenylene)bis(3-methylpyrrolidine-2,5-dione)",CC1CC(=O)N(C1=O)c2cccc(c2)N3C(=O)CC(C)C3=O,CC1CC(=O)N(C1=O)c2cccc(c2)N3C(=O)CC(C)C3=O,"InChI=1/C16H16N2O4/c1-9-6-13(19)17(15(9)21)11-4-3-5-12(8-11)18-14(20)7-10(2)16(18)22/h3-5,8-10H,6-7H2,1-2H3",C16H16N2O4,,,,,,WVUFVHFNYVURHA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.292,258-640-3,53580-48-6,"2,2,2-trimethyldisilane-1,1,1-triyl triacetate","2,2,2-trimethyldisilane-1,1,1-triyl triacetate",CC(=O)O[Si](OC(=O)C)(OC(=O)C)[Si](C)(C)C,CC(=O)O[Si](OC(=O)C)(OC(=O)C)[Si](C)(C)C,"InChI=1/C9H18O6Si2/c1-7(10)13-17(14-8(2)11,15-9(3)12)16(4,5)6/h1-6H3",C9H18O6Si2,,,,,,UDTVKJFJPHLKQE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.800,258-099-3,52683-87-1,6-amino-5-[[4-[(2-bromo-1-oxoallyl)amino]-2-[(4-methyl-3-sulphophenyl)sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid,6-amino-5-({4-[(2-bromoacryloyl)amino]-2-[(4-methyl-3-sulfophenyl)sulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c1cc(ccc1C)S(=O)(=O)c4cc(NC(=O)C(Br)=C)ccc4N=Nc2c3ccc(cc3ccc2N)S(O)(=O)=O,OS(=O)(=O)c1cc(ccc1C)S(=O)(=O)c4cc(NC(=O)C(Br)=C)ccc4N=Nc2c3ccc(cc3ccc2N)S(O)(=O)=O,"InChI=1/C26H21BrN4O9S3/c1-14-3-6-18(13-23(14)43(38,39)40)41(33,34)24-12-17(29-26(32)15(2)27)5-10-22(24)30-31-25-20-8-7-19(42(35,36)37)11-16(20)4-9-21(25)28/h3-13H,2,28H2,1H3,(H,29,32)(H,35,36,37)(H,38,39,40)",C26H21BrN4O9S3,,,,,,HHHVICDYYBLIAG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.801,258-100-7,52684-32-9,Decahydro-2-naphthyl acrylate,decahydronaphthalen-2-yl acrylate,C=CC(=O)OC1CCC2CCCCC2C1,C=CC(=O)OC1CCC2CCCCC2C1,"InChI=1/C13H20O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h2,10-12H,1,3-9H2",C13H20O2,,,,,,ZKPBJHSNKLZLCD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.805,258-104-9,52688-11-6,Cyclohexyl cyanoacetate,cyclohexyl cyanoacetate,O=C(CC#N)OC1CCCCC1,O=C(CC#N)OC1CCCCC1,"InChI=1/C9H13NO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h8H,1-6H2",C9H13NO2,,,,,,YESQLMJPTKPRSK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.810,258-110-1,52697-38-8,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide",Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)",C18H19BrN6O5,,,,,,WFFKSTRPZWRBEW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.811,258-111-7,52698-84-7,"2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline, disulpho derivative, disodium salt","disodium 2-[2,9-dimethyl-8-(3-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate",Cc1cc(c2ccccc2S(=O)(=O)O[Na])c3ccc4cc(c(C)nc4c3n1)c5cccc(c5)S(=O)(=O)O[Na],Cc1cc(c2ccccc2S(=O)(=O)O[Na])c3ccc4cc(c(C)nc4c3n1)c5cccc(c5)S(=O)(=O)O[Na],"InChI=1/C26H20N2O6S2.2Na/c1-15-12-23(20-8-3-4-9-24(20)36(32,33)34)21-11-10-18-14-22(16(2)28-25(18)26(21)27-15)17-6-5-7-19(13-17)35(29,30)31;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/rC26H18N2Na2O6S2/c1-15-12-23(20-8-3-4-9-24(20)38(33,34)36-30)21-11-10-18-14-22(16(2)28-25(18)26(21)27-15)17-6-5-7-19(13-17)37(31,32)35-29/h3-14H,1-2H3",C26H20N2O6S2.2Na,,,,,,ASXWKADSLUNHDT-UHFFFAOYSA-L,,,,,,,,,,,
100.052.814,258-114-3,52704-30-0,"5-oxo-L-proline, compound with N,N-dimethylethane-1,2-diamine (2:1)","5-oxo-L-proline - N,N-dimethylethane-1,2-diamine (2:1)",CN(C)CCN.OC(=O)[C@@H]1CCC(=O)N1.OC(=O)[C@@H]2CCC(=O)N2,CN(C)CCN.OC(=O)[C@@H]1CCC(=O)N1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.C4H12N2/c2*7-4-2-1-3(6-4)5(8)9;1-6(2)4-3-5/h2*3H,1-2H2,(H,6,7)(H,8,9);3-5H2,1-2H3",C5H7NO3.1/2C4H12N2,,,,,,IEZIBEQRECGIOY-QHTZZOMLSA-N,,,,,,,,,,,
100.052.827,258-129-5,52718-96-4,(3-methoxyallylidene)malononitrile,(3-methoxyprop-2-en-1-ylidene)malononitrile,COC=CC=C(C#N)C#N,COC=CC=C(C#N)C#N,"InChI=1/C7H6N2O/c1-10-4-2-3-7(5-8)6-9/h2-4H,1H3",C7H6N2O,,,,,,MALUIHGUZRXIGV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.831,258-133-7,52723-60-1,Bis(thiocarboxy) tetrasulphide,"tetrasulfane-1,4-dicarbothioic S-acid",SC(=O)SSSSC(=O)S,SC(=O)SSSSC(=O)S,"InChI=1/C2H2O2S6/c3-1(5)7-9-10-8-2(4)6/h(H,3,5)(H,4,6)",C2H2O2S6,,,,,,NWQAAGLRJHVDRU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.833,258-135-8,52723-96-3,"(4-methyl-1,3-phenylene)bis[iminocarbonyloxy(2-methyl-2,1-ethanediyl)] diacrylate","(4-methyl-1,3-phenylene)bis(carbamoyloxypropane-2,1-diyl) bisacrylate",CC(COC(=O)C=C)OC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C=C)c1,CC(COC(=O)C=C)OC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C=C)c1,"InChI=1/C21H26N2O8/c1-6-18(24)28-11-14(4)30-20(26)22-16-9-8-13(3)17(10-16)23-21(27)31-15(5)12-29-19(25)7-2/h6-10,14-15H,1-2,11-12H2,3-5H3,(H,22,26)(H,23,27)",C21H26N2O8,,,,,,XLUSIRDIYAYDCT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.840,258-143-1,52735-98-5,4-[(2-chloro-4-nitrophenyl)azo]aniline,4-[(2-chloro-4-nitrophenyl)diazenyl]aniline,Clc2cc(ccc2N=Nc1ccc(N)cc1)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(N)cc1)[N+]([O-])=O,"InChI=1/C12H9ClN4O2/c13-11-7-10(17(18)19)5-6-12(11)16-15-9-3-1-8(14)2-4-9/h1-7H,14H2",C12H9ClN4O2,,,,,,MAAZBPYSPLJNLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.649,254-633-4,39791-31-6,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-valerate","11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl valerate",CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C26H36O6/c1-4-5-6-22(30)32-15-21(29)26(31)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h9,11,13,18-20,23,28,31H,4-8,10,12,14-15H2,1-3H3",C26H36O6,,,,,,XOWYKRJPTXTGHW-FZNHGJLXSA-N,,,,,,,,,,,
100.049.651,254-636-0,39800-93-6,"2-sec-butyl-2,5-dihydrothiazole","2-sec-butyl-2,5-dihydro-1,3-thiazole",CCC(C)C1SCC=N1,CCC(C)C1SCC=N1,"InChI=1/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h4,6-7H,3,5H2,1-2H3",C7H13NS,,,,,,BLBWFTQVWINNKA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.108,257-337-3,51652-45-0,2-(5-decynyloxy)tetrahydro-2H-pyran,2-(dec-5-yn-1-yloxy)tetrahydro-2H-pyran,CCCCC#CCCCCOC1CCCCO1,CCCCC#CCCCCOC1CCCCO1,"InChI=1/C15H26O2/c1-2-3-4-5-6-7-8-10-13-16-15-12-9-11-14-17-15/h15H,2-4,7-14H2,1H3",C15H26O2,,,,,,UCIRGAWKROSICQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.111,257-341-5,51658-23-2,"2,4,6-tris[[bis(2-hydroxypropyl)amino]methyl]phenol","2,4,6-tris{[bis(2-hydroxypropyl)amino]methyl}phenol",CC(O)CN(CC(C)O)Cc1cc(CN(CC(C)O)CC(C)O)c(O)c(CN(CC(C)O)CC(C)O)c1,CC(O)CN(CC(C)O)Cc1cc(CN(CC(C)O)CC(C)O)c(O)c(CN(CC(C)O)CC(C)O)c1,"InChI=1/C27H51N3O7/c1-18(31)9-28(10-19(2)32)15-24-7-25(16-29(11-20(3)33)12-21(4)34)27(37)26(8-24)17-30(13-22(5)35)14-23(6)36/h7-8,18-23,31-37H,9-17H2,1-6H3",C27H51N3O7,,,,,,BWRQCLMICTXBSB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.112,257-342-0,51672-22-1,"2,2-dimethyl-2'-[(methylamino)thioxomethyl]propionohydrazide","2-(2,2-dimethylpropanoyl)-N-methylhydrazinecarbothioamide",CNC(=S)NNC(=O)C(C)(C)C,CNC(=S)NNC(=O)C(C)(C)C,"InChI=1/C7H15N3OS/c1-7(2,3)5(11)9-10-6(12)8-4/h1-4H3,(H,9,11)(H2,8,10,12)",C7H15N3OS,,,,,,RBCVXENZZZVCFS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.114,257-344-1,51674-11-4,"3,6-dihydroxyphthalimide","4,7-dihydroxy-1H-isoindole-1,3(2H)-dione",Oc1ccc(O)c2C(=O)NC(=O)c12,Oc1ccc(O)c2C(=O)NC(=O)c12,"InChI=1/C8H5NO4/c10-3-1-2-4(11)6-5(3)7(12)9-8(6)13/h1-2,10-11H,(H,9,12,13)",C8H5NO4,,,,,,RTVQVYVJANLNSR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.123,257-354-6,51706-34-4,"1,2-diphenyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]ethan-1-one","1,2-diphenyl-2-(tetrahydro-2H-pyran-2-yloxy)ethanone",O=C(C(OC1CCCCO1)c2ccccc2)c3ccccc3,O=C(C(OC1CCCCO1)c2ccccc2)c3ccccc3,"InChI=1/C19H20O3/c20-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)22-17-13-7-8-14-21-17/h1-6,9-12,17,19H,7-8,13-14H2",C19H20O3,,,,,,DNNDHIKCLIZHBH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.124,257-355-1,51706-40-2,4-[2-hydroxy-3-[(isopropyl)amino]propoxy]phenylacetamide hydrochloride,2-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide hydrochloride,Cl.CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,Cl.CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,"InChI=1/C14H22N2O3.ClH/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18;/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18);1H",C14H22N2O3.ClH,,,,,,FFDDLJYKJQGSPW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.002,258-321-9,53046-85-8,"Tetramethyl propane-1,2,2,3-tetracarboxylate","tetramethyl propane-1,2,2,3-tetracarboxylate",COC(=O)CC(CC(=O)OC)(C(=O)OC)C(=O)OC,COC(=O)CC(CC(=O)OC)(C(=O)OC)C(=O)OC,"InChI=1/C11H16O8/c1-16-7(12)5-11(9(14)18-3,10(15)19-4)6-8(13)17-2/h5-6H2,1-4H3",C11H16O8,,,,,,RFHYWFVQMMSWHX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.008,258-328-7,53053-51-3,Methyl 4-(methylthio)butyrate,methyl 4-(methylsulfanyl)butanoate,COC(=O)CCCSC,COC(=O)CCCSC,"InChI=1/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3",C6H12O2S,,,,,,HQDLZISNHUMXEA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.072,253-998-7,38557-82-3,Isonicotinamide 1-oxide,isonicotinamide 1-oxide,NC(=O)c1cc[n+]([O-])cc1,NC(=O)c1cc[n+]([O-])cc1,"InChI=1/C6H6N2O2/c7-6(9)5-1-3-8(10)4-2-5/h1-4H,(H2,7,9)",C6H6N2O2,,,,,,NZUWTGHVOISMHN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.090,254-018-0,38582-32-0,"3,7-dimethyl-6-octenyl methacrylate","3,7-dimethyloct-6-en-1-yl methacrylate",CC(CCOC(=O)C(=C)C)CCC=C(C)C,CC(CCOC(=O)C(=C)C)CCC=C(C)C,"InChI=1/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,13H,3,6,8-10H2,1-2,4-5H3",C14H24O2,,,,,,ODMBLKQTVUQJFT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.094,254-022-2,38585-67-0,4-[[(2-aminoethyl)thio]methyl]-5-methylimidazole,2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethanamine,Cc1[nH]cnc1CSCCN,Cc1[nH]cnc1CSCCN,"InChI=1/C7H13N3S/c1-6-7(10-5-9-6)4-11-3-2-8/h5H,2-4,8H2,1H3,(H,9,10)",C7H13N3S,,,,,,JEOZNMMOIBLWLV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.098,254-026-4,38593-84-9,O-butyl S-(1-phenyl-1H-tetrazol-5-yl) thiocarbonate,O-butyl S-(1-phenyl-1H-tetrazol-5-yl) thiocarbonate,CCCCOC(=O)Sc1nnnn1c2ccccc2,CCCCOC(=O)Sc1nnnn1c2ccccc2,"InChI=1/C12H14N4O2S/c1-2-3-9-18-12(17)19-11-13-14-15-16(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",C12H14N4O2S,,,,,,ZFQUQWYGBQONND-UHFFFAOYSA-N,,,,,,,,,,,
100.049.103,254-032-7,38598-34-4,Bis(cyclohexanebutyrato-O)hydroxyaluminium,aluminum hydroxide bis(4-cyclohexylbutanoate),O[Al](OC(=O)CCCC1CCCCC1)OC(=O)CCCC2CCCCC2,O[Al](OC(=O)CCCC1CCCCC1)OC(=O)CCCC2CCCCC2,"InChI=1/2C10H18O2.Al.H2O/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;;/h2*9H,1-8H2,(H,11,12);;1H2/q;;+3;/p-3/rC20H35AlO5/c22-19(15-7-13-17-9-3-1-4-10-17)25-21(24)26-20(23)16-8-14-18-11-5-2-6-12-18/h17-18,24H,1-16H2",C20H35AlO5,,,,,,JUGYFOMQOWSWDP-UHFFFAOYSA-K,,,,,,,,,,,
100.049.108,254-037-4,38613-77-3,"Tetrakis(2,4-di-tert-butylphenyl) [1,1-biphenyl]-4,4'-diylbisphosphonite","tetrakis(2,4-di-tert-butylphenyl) biphenyl-4,4'-diylbis(phosphonite)",CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)c3ccc(cc3)c4ccc(cc4)P(Oc5ccc(cc5C(C)(C)C)C(C)(C)C)Oc6ccc(cc6C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C,CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)c3ccc(cc3)c4ccc(cc4)P(Oc5ccc(cc5C(C)(C)C)C(C)(C)C)Oc6ccc(cc6C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C,"InChI=1/C68H92O4P2/c1-61(2,3)47-29-37-57(53(41-47)65(13,14)15)69-73(70-58-38-30-48(62(4,5)6)42-54(58)66(16,17)18)51-33-25-45(26-34-51)46-27-35-52(36-28-46)74(71-59-39-31-49(63(7,8)9)43-55(59)67(19,20)21)72-60-40-32-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3",C68H92O4P2,,,,,,BEIOEBMXPVYLRY-UHFFFAOYSA-N,,,,,,,,,,,
100.059.375,265-332-2,65059-42-9,Trimethyloctylammonium methyl sulphate,"N,N,N-trimethyloctan-1-aminium methyl sulfate",CCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C11H26N.CH4O4S/c1-5-6-7-8-9-10-11-12(2,3)4;1-5-6(2,3)4/h5-11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C11H26N.CH3O4S,,,,,,MWRUIIQJFZKJTH-UHFFFAOYSA-M,,,,,,,,,,,
100.053.102,258-431-7,53214-30-5,"Oleic acid, compound with dioctadecylamine (1:1)",octadec-9-enoic acid - N-octadecyloctadecan-1-amine (1:1),CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C36H75N.C18H34O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h37H,3-36H2,1-2H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C36H75N.C18H34O2,,,,,,QVERUPVHTFLVID-SVMKZPJVSA-N,,,,,,,,,,,
100.053.103,258-432-2,53219-21-9,"2-methyl-6-methyleneoct-7-en-2-ol, dihydro derivative",2-methyl-6-methyleneoctan-2-ol,CCC(=C)CCCC(C)(C)O,CCC(=C)CCCC(C)(C)O,"InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h11H,2,5-8H2,1,3-4H3",C10H20O,,,,,,VOATZOQREKBJMT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.110,258-440-6,53226-35-0,"Formic acid, compound with 2-aminoethanol (1:1)",formic acid - 2-aminoethanol (1:1),NCCO.OC=O,NCCO.OC=O,"InChI=1/C2H7NO.CH2O2/c3-1-2-4;2-1-3/h4H,1-3H2;1H,(H,2,3)",C2H7NO.CH2O2,,,,,,IKAHFTWDTODWID-UHFFFAOYSA-N,,,,,,,,,,,
100.053.111,258-441-1,53233-89-9,5-chloro-3-hydroxy-2-pyridone,5-chloro-3-hydroxypyridin-2(1H)-one,OC1=CC(=CNC1=O)Cl,OC1=CC(=CNC1=O)Cl,"InChI=1/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)",C5H4ClNO2,,,,,,AJGLCXBDYCEVIE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.114,258-444-8,53242-76-5,2-[(4-chlorophenyl)acetyl]benzoic acid,2-[(4-chlorophenyl)acetyl]benzoic acid,OC(=O)c1ccccc1C(=O)Cc2ccc(Cl)cc2,OC(=O)c1ccccc1C(=O)Cc2ccc(Cl)cc2,"InChI=1/C15H11ClO3/c16-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)",C15H11ClO3,,,,,,BDSINYHJZLINDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.118,258-449-5,53248-86-5,"2,3-dibutyloxirane","2,3-dibutyloxirane",CCCCC1OC1CCCC,CCCCC1OC1CCCC,"InChI=1/C10H20O/c1-3-5-7-9-10(11-9)8-6-4-2/h9-10H,3-8H2,1-2H3",C10H20O,,,,,,WQURFPNPTFZWGE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.124,258-455-8,53272-22-3,2-ethylhexyl isodecyl phthalate,2-ethylhexyl 8-methylnonyl phthalate,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,"InChI=1/C26H42O4/c1-5-7-16-22(6-2)20-30-26(28)24-18-13-12-17-23(24)25(27)29-19-14-10-8-9-11-15-21(3)4/h12-13,17-18,21-22H,5-11,14-16,19-20H2,1-4H3",C26H42O4,,,,,,KRVAUPJDDLBZBB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.881,253-788-5,38120-06-8,Isopentyl 4-nitrobenzoate,3-methylbutyl 4-nitrobenzoate,CC(C)CCOC(=O)c1ccc(cc1)[N+](=O)[O-],CC(C)CCOC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C12H15NO4/c1-9(2)7-8-17-12(14)10-3-5-11(6-4-10)13(15)16/h3-6,9H,7-8H2,1-2H3",C12H15NO4,,,,,,KMOODDWVCAWHMC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.886,253-793-2,38123-09-0,Ammonium (hydroxyethyl)dithiocarbamate,ammonium (1-hydroxyethyl)dithiocarbamate,[NH4+].CC(O)NC(=S)[S-],[NH4+].CC(O)NC(=S)[S-],"InChI=1/C3H7NOS2.H3N/c1-2(5)4-3(6)7;/h2,5H,1H3,(H2,4,6,7);1H3",C3H7NOS2.H3N,,,,,,CRWVUWKZMNIAPM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.890,253-797-4,38134-93-9,"1,6-dihydroxy-2-naphthoic acid","1,6-dihydroxy-2-naphthoic acid",OC(=O)c1ccc2cc(O)ccc2c1O,OC(=O)c1ccc2cc(O)ccc2c1O,"InChI=1/C11H8O4/c12-7-2-4-8-6(5-7)1-3-9(10(8)13)11(14)15/h1-5,12-13H,(H,14,15)",C11H8O4,,,,,,GWDGEVHBWRIBPF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.710,255-800-4,42399-50-8,"[R-(R*,R*)]-3-[(o-aminophenyl)thio]-3-(p-methoxyphenyl)lactic acid",3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid,COc1ccc(cc1)C(Sc2ccccc2N)C(O)C(=O)O,COc1ccc(cc1)C(Sc2ccccc2N)C(O)C(=O)O,"InChI=1/C16H17NO4S/c1-21-11-8-6-10(7-9-11)15(14(18)16(19)20)22-13-5-3-2-4-12(13)17/h2-9,14-15,18H,17H2,1H3,(H,19,20)",C16H17NO4S,,,,,,KHQWPNQLSKDWAR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.714,255-805-1,42404-24-0,a-ethyl-N-hydroxybenzeneacetamidine,N-hydroxy-2-phenylbutanimidamide,CCC(C(=N)NO)c1ccccc1,CCC(C(=N)NO)c1ccccc1,"InChI=1/C10H14N2O/c1-2-9(10(11)12-13)8-6-4-3-5-7-8/h3-7,9,13H,2H2,1H3,(H2,11,12)",C10H14N2O,,,,,,LBNGVSCNLKMRNM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.718,255-809-3,42409-10-9,"Sodium 5-chloro-2-(2,4-dichlorophenoxy)phenolate","sodium 5-chloro-2-(2,4-dichlorophenoxy)phenolate",[Na+].[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,[Na+].[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,"InChI=1/C12H7Cl3O2.Na/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;/h1-6,16H;/q;+1/p-1",C12H7Cl3O2.Na,,,,,,XJYNZWIMJRIQSZ-UHFFFAOYSA-M,,,,,,,,,,,
100.050.721,255-813-5,42413-59-2,1-(4-chlorophenyl)-1-phenylacetone,1-(4-chlorophenyl)-1-phenylacetone,CC(=O)C(c1ccccc1)c2ccc(Cl)cc2,CC(=O)C(c1ccccc1)c2ccc(Cl)cc2,"InChI=1/C15H13ClO/c1-11(17)15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3",C15H13ClO,,,,,,HPHDIGRPTJQBIS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.893,257-102-5,51276-47-2,2-amino-4-(hydroxymethylphosphinyl)butyric acid,2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid,CP(=O)(O)CCC(N)C(=O)O,CP(=O)(O)CCC(N)C(=O)O,"InChI=1/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)",C5H12NO4P,,,,,,IAJOBQBIJHVGMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.896,257-105-1,51281-35-7,"1,2,4-Benzenetricarboxylic acid, butyl ester",4-(butoxycarbonyl)isophthalic acid,CCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O,CCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O,"InChI=1/C13H14O6/c1-2-3-6-19-13(18)9-5-4-8(11(14)15)7-10(9)12(16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H,16,17)",-,,,,,,GCDUOFOLOZOBSV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.898,257-107-2,51282-49-6,Methyl 5-chloro-2-nitrobenzoate,methyl 5-chloro-2-nitrobenzoate,COC(=O)c1cc(Cl)ccc1[N+](=O)[O-],COC(=O)c1cc(Cl)ccc1[N+](=O)[O-],"InChI=1/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3",C8H6ClNO4,,,,,,JGBJHRKCUKTQOE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.903,257-113-5,51288-37-0,N-(4-hydroxy-3-nitrophenyl)acetamide,N-(4-hydroxy-3-nitrophenyl)acetamide,CC(=O)Nc1ccc(O)c(c1)[N+](=O)[O-],CC(=O)Nc1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-5(11)9-6-2-3-8(12)7(4-6)10(13)14/h2-4,12H,1H3,(H,9,11)",C8H8N2O4,,,,,,XZYRROIQJHLVRG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.907,257-117-7,51299-79-7,Discandium dicarbonate,discandium dicarbonate,[Sc+3].[Sc+3].[O-]C(=O)OC(=O)[O-].[O-]C(=O)OC(=O)[O-].[O-]C(=O)OC(=O)[O-],[Sc+3].[Sc+3].[O-]C(=O)OC(=O)[O-].[O-]C(=O)OC(=O)[O-].[O-]C(=O)OC(=O)[O-],"InChI=1/3C2H2O5.2Sc/c3*3-1(4)7-2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",CH2O3.xSc,,,,,,BYYNFEWGZYIOGM-UHFFFAOYSA-H,,,,,,,,,,,
100.051.908,257-118-2,51299-82-2,3-propoxypropiononitrile,3-propoxypropanenitrile,CCCOCCC#N,CCCOCCC#N,"InChI=1/C6H11NO/c1-2-5-8-6-3-4-7/h2-3,5-6H2,1H3",C6H11NO,,,,,,RBCSSAWYWYRREH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.919,257-130-8,51309-28-5,Hydroxybutyl acrylate,1-hydroxybutyl acrylate,CCCC(O)OC(=O)C=C,CCCC(O)OC(=O)C=C,"InChI=1/C7H12O3/c1-3-5-7(9)10-6(8)4-2/h4,7,9H,2-3,5H2,1H3",C7H12O3,,,,,,WAGRIKSHWXFXHV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.060,258-385-8,53132-01-7,"3-[2-(acetoxy)ethyl]-2-[3-[3-[2-(acetoxy)ethyl]-5-cyano-1-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propenyl]-5-cyano-1-ethyl-1H-benzimidazolium bromide","3-(2-acetoxyethyl)-2-{3-[3-(2-acetoxyethyl)-5-cyano-1-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-en-1-yl}-5-cyano-1-ethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium bromide",[Br-].CC(=O)OCCN3c4cc(C#N)ccc4[NH+](CC)C3C=CC=C2N(CC)c1ccc(cc1N2CCOC(C)=O)C#N,[Br-].CC(=O)OCCN3c4cc(C#N)ccc4[NH+](CC)C3C=CC=C2N(CC)c1ccc(cc1N2CCOC(C)=O)C#N,"InChI=1/C31H34N6O4.BrH/c1-5-34-26-12-10-24(20-32)18-28(26)36(14-16-40-22(3)38)30(34)8-7-9-31-35(6-2)27-13-11-25(21-33)19-29(27)37(31)15-17-41-23(4)39;/h7-13,18-19,30H,5-6,14-17H2,1-4H3;1H",C31H33N6O4.Br,,,,,,DRVDEOONJSBAPO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.064,258-390-5,53144-54-0,"1-(1,2,3,4,6,7,8,8a-octahydro-8,8-dimethyl-2-naphthyl)ethan-1-one","1-(8,8-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanone",CC(=O)C1CCC2=CCCC(C)(C)C2C1,CC(=O)C1CCC2=CCCC(C)(C)C2C1,"InChI=1/C14H22O/c1-10(15)12-7-6-11-5-4-8-14(2,3)13(11)9-12/h5,12-13H,4,6-9H2,1-3H3",C14H22O,,,,,,ZMMHDACJCNCHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.066,258-392-6,53148-32-6,"Cyclohexane-1,4-diylbismethylene bis(2-ethylhexanoate)","cyclohexane-1,4-diylbis(methylene) bis(2-ethylhexanoate)",CCCCC(CC)C(=O)OCC1CCC(COC(=O)C(CC)CCCC)CC1,CCCCC(CC)C(=O)OCC1CCC(COC(=O)C(CC)CCCC)CC1,"InChI=1/C24H44O4/c1-5-9-11-21(7-3)23(25)27-17-19-13-15-20(16-14-19)18-28-24(26)22(8-4)12-10-6-2/h19-22H,5-18H2,1-4H3",C24H44O4,,,,,,WZCWEBVKSPNNNN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.085,258-412-3,53175-28-3,2-chloro-2-butenal,2-chlorobut-2-enal,CC=C(Cl)C=O,CC=C(Cl)C=O,"InChI=1/C4H5ClO/c1-2-4(5)3-6/h2-3H,1H3",C4H5ClO,,,,,,GMUIHGWBQIUCST-UHFFFAOYSA-N,,,,,,,,,,,
100.053.088,258-416-5,53179-11-6,Loperamide,"4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide",CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4,CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4,"InChI=1/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3",C29H33ClN2O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18180,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.088,RDOIQAHITMMDAJ-UHFFFAOYSA-N,Positive,SM848903,[M+H]+,HCD35,266.1539:477.2306:210.1277,CASMI_2016,,,,,
100.050.667,255-752-4,42293-27-6,2-(2-amino-4-chlorophenoxy)-5-chlorobenzenesulphonic acid,2-(2-amino-4-chlorophenoxy)-5-chlorobenzenesulfonic acid,Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2S(=O)(=O)O,Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2S(=O)(=O)O,"InChI=1/C12H9Cl2NO4S/c13-7-1-3-10(9(15)5-7)19-11-4-2-8(14)6-12(11)20(16,17)18/h1-6H,15H2,(H,16,17,18)",C12H9Cl2NO4S,,,,,,WBHYFZRZFGQXBT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.669,255-755-0,42296-66-2,"Bis[o-acetoxybenzoic] acid, diester with anthracene-1,8,9-triol","8-hydroxyanthracene-1,9-diyl bis(2-acetoxybenzoate)",CC(=O)Oc1ccccc1C(=O)Oc2cccc3cc4cccc(O)c4c(OC(=O)c5ccccc5OC(=O)C)c23,CC(=O)Oc1ccccc1C(=O)Oc2cccc3cc4cccc(O)c4c(OC(=O)c5ccccc5OC(=O)C)c23,"InChI=1/C32H22O9/c1-18(33)38-25-14-5-3-11-22(25)31(36)40-27-16-8-10-21-17-20-9-7-13-24(35)28(20)30(29(21)27)41-32(37)23-12-4-6-15-26(23)39-19(2)34/h3-17,35H,1-2H3",C32H22O9,,,,,,JCMTZCOFXCQJRY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.671,255-757-1,42314-08-9,1-chloro-3-(2-methylpropoxy)propan-2-ol,1-chloro-3-isobutoxypropan-2-ol,CC(C)COCC(O)CCl,CC(C)COCC(O)CCl,"InChI=1/C7H15ClO2/c1-6(2)4-10-5-7(9)3-8/h6-7,9H,3-5H2,1-2H3",C7H15ClO2,,,,,,OYLSNRGLWVHWNI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.652,254-637-6,39807-15-3,"3-[2,4-dichloro-5-(2-propynyloxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one","5-tert-butyl-3-[2,4-dichloro-5-(prop-2-yn-1-yloxy)phenyl]-1,3,4-oxadiazol-2(3H)-one",CC(C)(C)C1=NN(C(=O)O1)c2cc(OCC#C)c(Cl)cc2Cl,CC(C)(C)C1=NN(C(=O)O1)c2cc(OCC#C)c(Cl)cc2Cl,"InChI=1/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3",C15H14Cl2N2O3,,,,,,DVOODWOZJVJKQR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.658,254-643-9,39823-55-7,Nonatetracontafluoro-24-iodotetracosane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24-nonatetracontafluoro-24-iodotetracosane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I,"InChI=1/C24F49I/c25-1(26,3(29,30)5(33,34)7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)71)2(27,28)4(31,32)6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(72,73)74",C24F49I,,,,,,JRJHYWMITKGGTN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.661,254-647-0,39825-93-9,"Icosane-1,2-diol","icosane-1,2-diol",CCCCCCCCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCCCCCCCC(O)CO,"InChI=1/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21/h20-22H,2-19H2,1H3",C20H42O2,,,,,,KUWCMTFKTVOJID-UHFFFAOYSA-N,,,,,,,,,,,
100.049.673,254-660-1,39864-10-3,4-(1-chloro-1-methylethyl)-1-methylcyclohexene,4-(1-chloro-1-methylethyl)-1-methylcyclohexene,CC1=CCC(CC1)C(C)(C)Cl,CC1=CCC(CC1)C(C)(C)Cl,"InChI=1/C10H17Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9H,5-7H2,1-3H3",C10H17Cl,,,,,,JDMWYZSPJDXSOB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.674,254-661-7,39864-15-8,Nonanediyl diacetate,"nonane-1,1-diyl diacetate",CCCCCCCCC(OC(=O)C)OC(=O)C,CCCCCCCCC(OC(=O)C)OC(=O)C,"InChI=1/C13H24O4/c1-4-5-6-7-8-9-10-13(16-11(2)14)17-12(3)15/h13H,4-10H2,1-3H3",C13H24O4,,,,,,ZALVGSSYVAPZDA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.679,254-666-4,39878-37-0,"7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione hydrochloride","7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CN1C(=O)N(C)c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2C1=O,Cl.CN1C(=O)N(C)c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2C1=O,"InChI=1/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H",C18H23N5O5.xClH,,,,,,XSFWDHONRBZVEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.680,254-668-5,39878-87-0,(-)-a-(chloroformyl)benzylammonium chloride,2-chloro-2-oxo-1-phenylethanaminium chloride,[Cl-].[NH3+]C(C(=O)Cl)c1ccccc1,[Cl-].[NH3+]C(C(=O)Cl)c1ccccc1,"InChI=1/C8H8ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-5,7H,10H2;1H",C8H8ClNO.ClH,,,,,,GVVFCAFBYHYGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.686,254-674-8,39885-50-2,2-chloro-4-trifluoromethylaniline,2-chloro-4-(trifluoromethyl)aniline,Nc1ccc(cc1Cl)C(F)(F)F,Nc1ccc(cc1Cl)C(F)(F)F,"InChI=1/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2",C7H5ClF3N,,,,,,MBBUTABXEITVNY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.689,254-677-4,39890-45-4,1-((pyrrolidine-1-carbonyl)methyl)piperazine,1-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine,O=C(CN1CCNCC1)N2CCCC2,O=C(CN1CCNCC1)N2CCCC2,"InChI=1/C10H19N3O/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2",C10H19N3O,,,,,,KYBCXTTWIOZBNR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.357,254-312-9,39136-63-5,5-phenylthiazol-2-amine,"5-phenyl-1,3-thiazol-2-amine",Nc1ncc(s1)c2ccccc2,Nc1ncc(s1)c2ccccc2,"InChI=1/C9H8N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)",C9H8N2S,,,,,,LSLUWQIENURREM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.364,254-320-2,39148-24-8,Aluminium triethyl triphosphonate,aluminum tris(ethyl phosphonate),[Al+3].CCOP(=O)[O-].CCOP(=O)[O-].CCOP(=O)[O-],[Al+3].CCOP(=O)[O-].CCOP(=O)[O-].CCOP(=O)[O-],"InChI=1/3C2H7O3P.Al/c3*1-2-5-6(3)4;/h3*6H,2H2,1H3,(H,3,4);/q;;;+3/p-3",C2H7O3P.1/3Al,,,,,,ZKZMJOFIHHZSRW-UHFFFAOYSA-K,,,,,,,,,,,
100.049.365,254-321-8,39150-45-3,"4-amino-3,5-dibromobenzenesulphonamide","4-amino-3,5-dibromobenzenesulfonamide",Nc1c(Br)cc(cc1Br)S(=O)(=O)N,Nc1c(Br)cc(cc1Br)S(=O)(=O)N,"InChI=1/C6H6Br2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)",C6H6Br2N2O2S,,,,,,DLXJPWSYRLLYSV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.373,254-330-7,39168-58-6,"2,2'-bi-9H-fluorene","9H,9'H-2,2'-bifluorene",C1c2ccccc2c3ccc(cc13)c4ccc5c(Cc6ccccc56)c4,C1c2ccccc2c3ccc(cc13)c4ccc5c(Cc6ccccc56)c4,"InChI=1/C26H18/c1-3-7-23-19(5-1)15-21-13-17(9-11-25(21)23)18-10-12-26-22(14-18)16-20-6-2-4-8-24(20)26/h1-14H,15-16H2",C26H18,,,,,,QUBGBARTKXHDBT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.877,255-984-6,42874-63-5,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenol,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenol,Oc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],Oc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],"InChI=1/C13H7ClF3NO4/c14-9-5-7(13(15,16)17)1-4-12(9)22-8-2-3-10(18(20)21)11(19)6-8/h1-6,19H",C13H7ClF3NO4,,,,,,WYTRKEWETULQOA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.110,254-040-0,38615-39-3,2-[[4-(diethylamino)phenyl]methyl]-3-hydroxyindan-1-one,2-[4-(diethylamino)benzyl]-3-hydroxyindan-1-one,CCN(CC)c1ccc(CC2C(O)c3ccccc3C2=O)cc1,CCN(CC)c1ccc(CC2C(O)c3ccccc3C2=O)cc1,"InChI=1/C20H23NO2/c1-3-21(4-2)15-11-9-14(10-12-15)13-18-19(22)16-7-5-6-8-17(16)20(18)23/h5-12,18-19,22H,3-4,13H2,1-2H3",C20H23NO2,,,,,,OXKFXFCTILDPGA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.112,254-042-1,38615-45-1,"2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)quinoline-6-sulphonic acid","2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6-sulfonic acid",OS(=O)(=O)c1ccc2nc(ccc2c1)C3C(=O)c4ccccc4C3=O,OS(=O)(=O)c1ccc2nc(ccc2c1)C3C(=O)c4ccccc4C3=O,"InChI=1/C18H11NO5S/c20-17-12-3-1-2-4-13(12)18(21)16(17)15-7-5-10-9-11(25(22,23)24)6-8-14(10)19-15/h1-9,16H,(H,22,23,24)",C18H11NO5S,,,,,,GOGLOAZETACXSR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.113,254-043-7,38618-12-1,"Oleic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)","octadec-9-enoic acid - 1,1'-iminodipropan-2-ol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.CC(O)CNCC(C)O,CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(O)CNCC(C)O,"InChI=1/C18H34O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5(8)3-7-4-6(2)9/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-9H,3-4H2,1-2H3",C18H34O2.C6H15NO2,,,,,,QZNJFNVUPYDXHR-KVVVOXFISA-N,,,,,,,,,,,
100.052.970,258-285-4,52989-50-1,Isopropyl 5-oxo-L-prolinate,isopropyl 5-oxo-L-prolinate,CC(C)OC(=O)[C@@H]1CCC(=O)N1,CC(C)OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H13NO3/c1-5(2)12-8(11)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)",C8H13NO3,,,,,,IZHXNBPKBCUDOZ-LURJTMIESA-N,,,,,,,,,,,
100.052.980,258-296-4,53018-24-9,"3a,4,5,6,7,7a-hexahydro-5-methoxy-4,7-methano-1H-indene","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl methyl ether",COC1CC2CC1C3C=CCC23,COC1CC2CC1C3C=CCC23,"InChI=1/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2,4,7-11H,3,5-6H2,1H3",C11H16O,,,,,,QGIIMMFKVVKYGH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.981,258-298-5,53018-26-1,"5-ethoxy-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene","5-ethoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",CCOC1CC2CC1C3C=CCC23,CCOC1CC2CC1C3C=CCC23,"InChI=1/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h3,5,8-12H,2,4,6-7H2,1H3",C12H18O,,,,,,MFSOXQKQXQKWST-UHFFFAOYSA-N,,,,,,,,,,,
100.052.989,258-307-2,53023-67-9,"(2E,4E)-(±)-3,7,11-trimethyldodeca-2,4-dienoic acid","3,7,11-trimethyldodeca-2,4-dienoic acid",CC(C)CCCC(C)CC=CC(=CC(=O)O)C,CC(C)CCCC(C)CC=CC(=CC(=O)O)C,"InChI=1/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6,10-13H,5,7-9H2,1-4H3,(H,16,17)",C15H26O2,,,,,,QMVSVDPAWIVPNR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.505,253-372-3,37167-65-0,Hydrodioctylaluminium,dioctylaluminum(1+),CCCCCCCC[Al]CCCCCCCC,CCCCCCCC[Al]CCCCCCCC,"InChI=1/2C8H17.Al/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;/q;;+1/rC16H34Al/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/q+1",C16H35Al,,,,,,RYFHUGPCQBOJBL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.510,253-378-6,37172-05-7,1-ethynyl-2-(1-methylpropyl)cyclohexyl acetate,2-sec-butyl-1-ethynylcyclohexyl acetate,CCC(C)C1CCCCC1(OC(=O)C)C#C,CCC(C)C1CCCCC1(OC(=O)C)C#C,"InChI=1/C14H22O2/c1-5-11(3)13-9-7-8-10-14(13,6-2)16-12(4)15/h2,11,13H,5,7-10H2,1,3-4H3",C14H22O2,,,,,,PKVIIPGIGKYQFI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.333,255-384-4,41468-34-2,"4-butyl-1-phenylpyrazolidine-3,5-dione, sodium salt",-,[Na+].CCCCC1C(=O)NN(C1=O)c2ccccc2,[Na+].CCCCC1C(=O)NN(C1=O)c2ccccc2,"InChI=1/C13H16N2O2.Na/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;/h4-8,11H,2-3,9H2,1H3,(H,14,16);/q;+1",C13H16N2O2.Na,,,,,,FIIOKODLPLWGDK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.337,255-389-1,41480-75-5,2-(diisopropylamino)ethanethiol hydrochloride,2-(diisopropylamino)ethanethiol hydrochloride,Cl.CC(C)N(CCS)C(C)C,Cl.CC(C)N(CCS)C(C)C,"InChI=1/C8H19NS.ClH/c1-7(2)9(5-6-10)8(3)4;/h7-8,10H,5-6H2,1-4H3;1H",C8H19NS.ClH,,,,,,UTPHRZRWMXLNIK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.339,255-391-2,41483-43-6,5-butyl-2-ethylamino-6-methylpyrimidin-4-yldimethylsulphamate,5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate,CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,"InChI=1/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)",C13H24N4O3S,,,,,,DSKJPMWIHSOYEA-UHFFFAOYSA-N,Positive,SM845402,[M+H]+,HCD35,317.1643:166.0975:108.0114,CASMI_2016,,,,,
100.050.341,255-393-3,41484-50-8,Cholest-5-en-3ß-yl p-ethoxybenzoate,cholest-5-en-3-yl 4-ethoxybenzoate,CCOc1ccc(cc1)C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C,CCOc1ccc(cc1)C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C,"InChI=1/C36H54O3/c1-7-38-28-14-11-26(12-15-28)34(37)39-29-19-21-35(5)27(23-29)13-16-30-32-18-17-31(25(4)10-8-9-24(2)3)36(32,6)22-20-33(30)35/h11-15,24-25,29-33H,7-10,16-23H2,1-6H3",C36H54O3,,,,,,GWKCVFRJJDJPRJ-SLLVFYDOSA-N,,,,,,,,,,,
100.050.345,255-398-0,41489-06-9,"5-oxo-DL-proline, compound with hexadecyl ß-alaninate (1:1)",5-oxo-L-proline - hexadecyl alaninate (1:1),CCCCCCCCCCCCCCCCOC(=O)C(C)N.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCOC(=O)C(C)N.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C19H39NO2.C5H7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20;7-4-2-1-3(6-4)5(8)9/h18H,3-17,20H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C19H39NO2.C5H7NO3,,,,,,YVHPJIHTXNGQJZ-HVDRVSQOSA-N,,,,,,,,,,,
100.050.722,255-814-0,42415-80-5,Sodium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl oleate,sodium 2-{[2-(oleoyloxy)propanoyl]oxy}propanoate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],"InChI=1/C24H42O6.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27);/q;+1/p-1",C24H42O6.Na,,,,,,LJXQVMLSQZESSP-AFEZEDKISA-M,,,,,,,,,,,
100.050.729,255-821-9,42434-89-9,7-bromo-3-phenylbenzofuran,7-bromo-3-phenyl-1-benzofuran,Brc1cccc2c(coc12)c3ccccc3,Brc1cccc2c(coc12)c3ccccc3,InChI=1/C14H9BrO/c15-13-8-4-7-11-12(9-16-14(11)13)10-5-2-1-3-6-10/h1-9H,C14H9BrO,,,,,,PCPFVKJXSNDOBF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.730,255-822-4,42434-97-9,Ethyl a-hydroxy-a-methyl-3-phenylbenzofuran-7-acetate,ethyl 2-hydroxy-2-(3-phenyl-1-benzofuran-7-yl)propanoate,CCOC(=O)C(C)(O)c1cccc2c(coc12)c3ccccc3,CCOC(=O)C(C)(O)c1cccc2c(coc12)c3ccccc3,"InChI=1/C19H18O4/c1-3-22-18(20)19(2,21)16-11-7-10-14-15(12-23-17(14)16)13-8-5-4-6-9-13/h4-12,21H,3H2,1-2H3",C19H18O4,,,,,,IQLIOUSSZDMCHB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.734,255-827-1,42443-72-1,"N-[3-(isotridecyloxy)propyl]propane-1,3-diamine","N-{3-[(11-methyldodecyl)oxy]propyl}propane-1,3-diamine",CC(C)CCCCCCCCCCOCCCNCCCN,CC(C)CCCCCCCCCCOCCCNCCCN,"InChI=1/C19H42N2O/c1-19(2)13-9-7-5-3-4-6-8-10-17-22-18-12-16-21-15-11-14-20/h19,21H,3-18,20H2,1-2H3",C19H42N2O,,,,,,YZGGABQGIYPLRM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.735,255-828-7,42445-78-3,"N,N'''-ethylenebis[1,3,5-triazine-2,4,6-triamine]","N~2~,N~2~'-ethane-1,2-diylbis(1,3,5-triazine-2,4,6-triamine)",Nc1nc(N)nc(NCCNc2nc(N)nc(N)n2)n1,Nc1nc(N)nc(NCCNc2nc(N)nc(N)n2)n1,"InChI=1/C8H14N12/c9-3-15-4(10)18-7(17-3)13-1-2-14-8-19-5(11)16-6(12)20-8/h1-2H2,(H5,9,10,13,15,17,18)(H5,11,12,14,16,19,20)",C8H14N12,,,,,,GVOXAHOKHXNNBX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.737,255-830-8,42450-33-9,"4,5-dichloro-2-(methylamino)aniline","4,5-dichloro-N-methylbenzene-1,2-diamine",CNc1cc(Cl)c(Cl)cc1N,CNc1cc(Cl)c(Cl)cc1N,"InChI=1/C7H8Cl2N2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,11H,10H2,1H3",C7H8Cl2N2,,,,,,ZDMRZCPRJMRDQM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.738,255-831-3,42452-55-1,"2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]propylamino]ethanol","2-{[2,6-dinitro-4-(trifluoromethyl)phenyl](propyl)amino}ethanol",CCCN(CCO)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCCN(CCO)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C12H14F3N3O5/c1-2-3-16(4-5-19)11-9(17(20)21)6-8(12(13,14)15)7-10(11)18(22)23/h6-7,19H,2-5H2,1H3",C12H14F3N3O5,,,,,,BXCXWQRPMVCUKU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.739,255-832-9,42454-06-8,5-hydroxy-2-nitrobenzaldehyde,5-hydroxy-2-nitrobenzaldehyde,Oc1ccc(c(C=O)c1)[N+](=O)[O-],Oc1ccc(c(C=O)c1)[N+](=O)[O-],"InChI=1/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H",C7H5NO4,,,,,,XLYPHUGUKGMURE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.743,255-837-6,42468-33-7,"2,6-dichloro-4-mercaptophenol","2,6-dichloro-4-sulfanylphenol",Oc1c(Cl)cc(S)cc1Cl,Oc1c(Cl)cc(S)cc1Cl,"InChI=1/C6H4Cl2OS/c7-4-1-3(10)2-5(8)6(4)9/h1-2,9-10H",C6H4Cl2OS,,,,,,LQBDPIUSHVJVQL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.749,255-843-9,42482-07-5,"3-(2-hexadecenyl)dihydrofuran-2,5-dione","3-hexadec-2-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1CC=CCCCCCCCCCCCCC,O=C1OC(=O)CC1CC=CCCCCCCCCCCCCC,"InChI=1/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h14-15,18H,2-13,16-17H2,1H3",C20H34O3,,,,,,MZDVKESGWJINHY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.623,253-505-5,37426-22-5,Cyclohexan-1-one tert-butylhydrazone,1-tert-butyl-2-cyclohexylidenehydrazine,CC(C)(C)NN=C1CCCCC1,CC(C)(C)NN=C1CCCCC1,"InChI=1/C10H20N2/c1-10(2,3)12-11-9-7-5-4-6-8-9/h12H,4-8H2,1-3H3",C10H20N2,,,,,,JWJIUAWMOSFEKA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.129,255-161-1,40953-15-9,"2,5-diethyl-4-methyloxazole","2,5-diethyl-4-methyl-1,3-oxazole",CCc1oc(CC)c(C)n1,CCc1oc(CC)c(C)n1,"InChI=1/C8H13NO/c1-4-7-6(3)9-8(5-2)10-7/h4-5H2,1-3H3",C8H13NO,,,,,,ODHBNBMQEWMDTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.130,255-162-7,40953-16-0,"2,4,5-triethyloxazole","2,4,5-triethyl-1,3-oxazole",CCc1oc(CC)c(CC)n1,CCc1oc(CC)c(CC)n1,"InChI=1/C9H15NO/c1-4-7-8(5-2)11-9(6-3)10-7/h4-6H2,1-3H3",C9H15NO,,,,,,ZLXVSQONSJKXKB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.132,255-164-8,40958-82-5,"1H-pyrazole, sodium salt",sodium pyrazol-1-ide,[Na]n1cccn1,[Na]n1cccn1,InChI=1/C3H3N2.Na/c1-2-4-5-3-1;/h1-3H;/q-1;+1/rC3H3N2Na/c6-5-3-1-2-4-5/h1-3H,C3H4N2.Na,,,,,,UBXSXHIFPINFKS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.138,255-171-6,40996-87-0,17ß-hydroxy-2-(hydroxymethylene)androst-4-ene-3-one,17-hydroxy-2-(hydroxymethylene)androst-4-en-3-one,C[C@]43CC(=CO)C(=O)\\C=C4\\CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]43CC(=CO)C(=O)\C=C4\CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12,"InChI=1/C20H28O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h9,11,14-16,18,21,23H,3-8,10H2,1-2H3",C20H28O3,,,,,,WBQHPGBBOIFJLF-GJCUDGATSA-N,,,,,,,,,,,
100.050.144,255-177-9,41016-61-9,"7-aminonaphthalene-1,3,6-trisulphonic acid, sodium salt","trisodium 7-aminonaphthalene-1,3,6-trisulfonate",Nc1cc2c(cc(cc2cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na],Nc1cc2c(cc(cc2cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C10H9NO9S3.3Na/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3/rC10H6NNa3O9S3/c11-8-4-7-5(2-10(8)26(19,20)23-14)1-6(24(15,16)21-12)3-9(7)25(17,18)22-13/h1-4H,11H2",C10H9NO9S3.xNa,,,,,,JNVDPZMCBPFWKR-UHFFFAOYSA-K,,,,,,,,,,,
100.050.673,255-759-2,42340-98-7,R-(-)-1-(1-naphthyl)ethyl isocyanate,1-(1-isocyanatoethyl)naphthalene,C[C@@H](N=C=O)c1cccc2ccccc12,C[C@@H](N=C=O)c1cccc2ccccc12,"InChI=1/C13H11NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3",C13H11NO,,,,,,GONOHGQPZFXJOJ-SNVBAGLBSA-N,,,,,,,,,,,
100.050.674,255-760-8,42343-35-1,Isodecyl isooctyl phthalate,6-methylheptyl 8-methylnonyl phthalate,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,"InChI=1/C26H42O4/c1-21(2)15-9-6-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3",C26H42O4,,,,,,DISOBDRLYQMQDY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.682,255-769-7,42355-81-7,"Tetrasodium 4,4'-bis[[4-morpholino-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-morpholin-4-yl-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(Nc2nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)[O-])nc(n5)N7CCOCC7)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])nc(n2)N8CCOCC8)c1,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(Nc2nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)[O-])nc(n5)N7CCOCC7)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])nc(n2)N8CCOCC8)c1,"InChI=1/C40H40N12O14S4.4Na/c53-67(54,55)31-5-1-3-27(21-31)41-35-45-37(49-39(47-35)51-13-17-65-18-14-51)43-29-11-9-25(33(23-29)69(59,60)61)7-8-26-10-12-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-15-19-66-20-16-52)42-28-4-2-6-32(22-28)68(56,57)58;;;;/h1-12,21-24H,13-20H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4",C40H40N12O14S4.4Na,,,,,,APBQAOVDWIUKOY-YZNHWISSSA-J,,,,,,,,,,,
100.050.684,255-771-8,42358-36-1,"2-ethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)azo]-1H-benz[de]isoquinoline-1,3(2H)-dione","2-ethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)diazenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione",[O-][N+](=O)c4ccc(N=Nc1cc2C(=O)N(CC)C(=O)c3cccc(c1O)c23)c(OC)c4,[O-][N+](=O)c4ccc(N=Nc1cc2C(=O)N(CC)C(=O)c3cccc(c1O)c23)c(OC)c4,"InChI=1/C21H16N4O6/c1-3-24-20(27)13-6-4-5-12-18(13)14(21(24)28)10-16(19(12)26)23-22-15-8-7-11(25(29)30)9-17(15)31-2/h4-10,26H,3H2,1-2H3",C21H16N4O6,,,,,,BCKFAEHMRREKIN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.694,255-782-8,42372-33-8,"2-methoxyethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","2-methoxyethyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",COCCOS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,COCCOS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,"InChI=1/C13H12N2O5S/c1-19-7-8-20-21(17,18)12-4-2-3-10-9(12)5-6-11(15-14)13(10)16/h2-6H,7-8H2,1H3",C13H12N2O5S,,,,,,WUZMSQZOWVFNTO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.696,255-784-9,42372-37-2,"2,3-dibromopropyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","2,3-dibromopropyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",BrCC(Br)COS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,BrCC(Br)COS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,"InChI=1/C13H10Br2N2O4S/c14-6-8(15)7-21-22(19,20)12-3-1-2-10-9(12)4-5-11(17-16)13(10)18/h1-5,8H,6-7H2",C13H10Br2N2O4S,,,,,,QPDJAIAXLQDVMI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.574,253-451-2,37293-13-3,"Silicic acid, bismuth salt",-,[BiH3+3].[O-][Si](=O)[O-],[BiH3+3].[O-][Si](=O)[O-],InChI=1/Bi.O3Si.3H/c;1-4(2)3;;;/q+3;-2;;;/rBiH3.O3Si/c;1-4(2)3/h1H3;/q+3;-2,-,,,,,,WFIBOAOXSYWUIR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.590,253-469-0,37338-40-2,Dodec-8-enyl acetate,dodec-8-en-1-yl acetate,CC(=O)OCCCCCCCC=CCCC,CC(=O)OCCCCCCCC=CCCC,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3",C14H26O2,,,,,,SUCYDSJQVVGOIW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.600,253-480-0,37343-44-5,Isooctadecenoic acid,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",C18H34O2,,,,,,QIQXTHQIDYTFRH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.608,253-488-4,37382-23-3,Cerium hydroxide,cerium(3+) trihydroxide,[OH-].[OH-].[OH-].[Ce+3],[OH-].[OH-].[OH-].[Ce+3],InChI=1/Ce.3H2O/h;3*1H2/q+3;;;/p-3,-,,,,,,UNJPQTDTZAKTFK-UHFFFAOYSA-K,,,,,,,,,,,
100.048.611,253-492-6,37387-11-4,1-[2-(2-butoxyethoxy)-1-methylethoxy]propan-2-ol,1-[2-(2-butoxyethoxy)-1-methylethoxy]propan-2-ol,CCCCOCCOCC(C)OCC(C)O,CCCCOCCOCC(C)OCC(C)O,"InChI=1/C12H26O4/c1-4-5-6-14-7-8-15-10-12(3)16-9-11(2)13/h11-13H,4-10H2,1-3H3",C12H26O4,,,,,,JUUQEXBPXBYHLF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.486,254-454-1,39445-23-3,Calcium magnesium tetrahydroxide,calcium magnesium tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Mg+2].[Ca+2],[OH-].[OH-].[OH-].[OH-].[Mg+2].[Ca+2],InChI=1/Ca.Mg.4H2O/h;;4*1H2/q2*+2;;;;/p-4,CaH4MgO4,,,,,,LWNKHILEJJTLCI-UHFFFAOYSA-J,,,,,,,,,,,
100.049.491,254-459-9,39455-35-1,Aluminum chloride phosphate,-,[Al+3].[Cl-].[O-]P(=O)([O-])[O-],[Al+3].[Cl-].[O-]P(=O)([O-])[O-],"InChI=1/Al.ClH.H3O4P/c;;1-5(2,3)4/h;1H;(H3,1,2,3,4)/q+3;;/p-4",-,,,,,,CILUWGMVMJYTTD-UHFFFAOYSA-J,,,,,,,,,,,
100.049.499,254-468-8,39479-71-5,"Diethyl 4,7-dihydroxy-1,10-phenanthroline-3,8-dicarboxylate","diethyl 4,7-dihydroxy-1,10-phenanthroline-3,8-dicarboxylate",CCOC(=O)c1cnc2c(ccc3c(O)c(cnc23)C(=O)OCC)c1O,CCOC(=O)c1cnc2c(ccc3c(O)c(cnc23)C(=O)OCC)c1O,"InChI=1/C18H16N2O6/c1-3-25-17(23)11-7-19-13-9(15(11)21)5-6-10-14(13)20-8-12(16(10)22)18(24)26-4-2/h5-8H,3-4H2,1-2H3,(H,19,21)(H,20,22)",C18H16N2O6,,,,,,PMZGJTQGPUEOKK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.884,255-991-4,42900-95-8,"4-[(dimethylamino)methyl]-2,6-xylenol","4-[(dimethylamino)methyl]-2,6-dimethylphenol",CN(C)Cc1cc(C)c(O)c(C)c1,CN(C)Cc1cc(C)c(O)c(C)c1,"InChI=1/C11H17NO/c1-8-5-10(7-12(3)4)6-9(2)11(8)13/h5-6,13H,7H2,1-4H3",C11H17NO,,,,,,LCWKIAHCEIHHJE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.888,255-996-1,42906-19-4,4-[bis(p-tolyl)amino]benzaldehyde,4-[bis(4-methylphenyl)amino]benzaldehyde,Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(C=O)cc3,Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(C=O)cc3,"InChI=1/C21H19NO/c1-16-3-9-19(10-4-16)22(20-11-5-17(2)6-12-20)21-13-7-18(15-23)8-14-21/h3-15H,1-2H3",C21H19NO,,,,,,XCGLXUJEPIVZJM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.892,256-000-8,42916-36-9,Trineopentylaluminium,"tris(2,2-dimethylpropyl)aluminum",CC(C)(C)C[Al](CC(C)(C)C)CC(C)(C)C,CC(C)(C)C[Al](CC(C)(C)C)CC(C)(C)C,"InChI=1/3C5H11.Al/c3*1-5(2,3)4;/h3*1H2,2-4H3;/rC15H33Al/c1-13(2,3)10-16(11-14(4,5)6)12-15(7,8)9/h10-12H2,1-9H3",C15H33Al,,,,,,MYWRONRUDLXRGX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.900,256-009-7,42933-32-4,"3,6,7-trimethyl-2,6-octadien-1-ol","3,6,7-trimethylocta-2,6-dien-1-ol",C/C(C)=C(\\C)CCC(C)=CCO,C/C(C)=C(\C)CCC(C)=CCO,"InChI=1/C11H20O/c1-9(2)11(4)6-5-10(3)7-8-12/h7,12H,5-6,8H2,1-4H3",C11H20O,,,,,,JEKZWFRYLQPVTR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.902,256-011-8,42939-86-6,"1,2-dihydro-6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)azo]-2-oxonicotinonitrile","6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C2=C(/C)C(/N=Nc1ccc(cc1C)[N+]([O-])=O)=C(/O)NC2=O,N#C\C2=C(/C)C(/N=Nc1ccc(cc1C)[N+]([O-])=O)=C(/O)NC2=O,"InChI=1/C14H11N5O4/c1-7-5-9(19(22)23)3-4-11(7)17-18-12-8(2)10(6-15)13(20)16-14(12)21/h3-5H,1-2H3,(H2,16,20,21)",C14H11N5O4,,,,,,NSFAEYWEEUWUQO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.304,258-653-4,53591-79-0,"1-(2',4'-difluoro[1,1'-biphenyl]-4-yl)ethan-1-one","1-(2',4'-difluorobiphenyl-4-yl)ethanone",CC(=O)c1ccc(cc1)c2ccc(F)cc2F,CC(=O)c1ccc(cc1)c2ccc(F)cc2F,"InChI=1/C14H10F2O/c1-9(17)10-2-4-11(5-3-10)13-7-6-12(15)8-14(13)16/h2-8H,1H3",C14H10F2O,,,,,,HSNQVADZWQJQJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.307,258-657-6,53602-84-9,(S)-5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid,5-(L-gamma-glutamylamino)-2-nitrobenzoic acid,N[C@@H](CCC(=O)Nc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(=O)O,N[C@@H](CCC(=O)Nc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(=O)O,"InChI=1/C12H13N3O7/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20)",C12H13N3O7,,,,,,AHFFWTMLFDZSOF-QMMMGPOBSA-N,,,,,,,,,,,
100.053.317,258-668-6,53621-34-4,Ammonium 2-(sulphonatooxy)ethyl methacrylate,ammonium 2-(methacryloyloxy)ethyl sulfate,[NH4+].CC(=C)C(=O)OCCOS(=O)(=O)[O-],[NH4+].CC(=C)C(=O)OCCOS(=O)(=O)[O-],"InChI=1/C6H10O6S.H3N/c1-5(2)6(7)11-3-4-12-13(8,9)10;/h1,3-4H2,2H3,(H,8,9,10);1H3",C6H10O6S.H3N,,,,,,WCDLJSPFRWZKPF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.334,258-686-4,53651-67-5,"Magnesium ethane-1,2-diolate","magnesium ethane-1,2-diolate",[Mg+2].[O-]CC[O-],[Mg+2].[O-]CC[O-],InChI=1/C2H4O2.Mg/c3-1-2-4;/h1-2H2;/q-2;+2,C2H6O2.Mg,,,,,,LPFAVACZDGLXHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.335,258-688-5,53654-12-9,4-morpholinopiperidine-4-carboxamide,4-morpholin-4-ylpiperidine-4-carboxamide,NC(=O)C1(CCNCC1)N2CCOCC2,NC(=O)C1(CCNCC1)N2CCOCC2,"InChI=1/C10H19N3O2/c11-9(14)10(1-3-12-4-2-10)13-5-7-15-8-6-13/h12H,1-8H2,(H2,11,14)",C10H19N3O2,,,,,,OEDOITYEASREQH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.854,258-158-3,52762-67-1,4-tert-butyl-2-cyclopentylphenol,4-tert-butyl-2-cyclopentylphenol,CC(C)(C)c1ccc(O)c(c1)C2CCCC2,CC(C)(C)c1ccc(O)c(c1)C2CCCC2,"InChI=1/C15H22O/c1-15(2,3)12-8-9-14(16)13(10-12)11-6-4-5-7-11/h8-11,16H,4-7H2,1-3H3",C15H22O,,,,,,VEZHYEYZBFZZMB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.855,258-159-9,52762-69-3,4-[4-(tert-butyl)-2-cyclopentylphenoxy]butylamine,4-(4-tert-butyl-2-cyclopentylphenoxy)butan-1-amine,CC(C)(C)c1ccc(OCCCCN)c(c1)C2CCCC2,CC(C)(C)c1ccc(OCCCCN)c(c1)C2CCCC2,"InChI=1/C19H31NO/c1-19(2,3)16-10-11-18(21-13-7-6-12-20)17(14-16)15-8-4-5-9-15/h10-11,14-15H,4-9,12-13,20H2,1-3H3",C19H31NO,,,,,,HQYSGCWZWRSPJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.858,258-163-0,52764-11-1,"2,6-dichloropyridin-3-ol","2,6-dichloropyridin-3-ol",Oc1ccc(Cl)nc1Cl,Oc1ccc(Cl)nc1Cl,"InChI=1/C5H3Cl2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H",C5H3Cl2NO,,,,,,CDDCESLWCVAQMG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.862,258-167-2,52771-02-5,Decyl[2-[(4-fluorophenyl)amino]-2-oxoethyl]dimethylammonium chloride,"N-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-N,N-dimethyldecan-1-aminium chloride",[Cl-].CCCCCCCCCC[N+](C)(C)CC(=O)Nc1ccc(F)cc1,[Cl-].CCCCCCCCCC[N+](C)(C)CC(=O)Nc1ccc(F)cc1,"InChI=1/C20H33FN2O.ClH/c1-4-5-6-7-8-9-10-11-16-23(2,3)17-20(24)22-19-14-12-18(21)13-15-19;/h12-15H,4-11,16-17H2,1-3H3;1H",C20H34FN2O.Cl,,,,,,VNGAZOUAQCBYRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.884,252-688-9,35714-87-5,Benzyl[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]dimethylammonium chloride,"N-benzyl-2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N-dimethylethanaminium chloride",[Cl-].Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)Cc2ccccc2)[N+]([O-])=O,[Cl-].Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)Cc2ccccc2)[N+]([O-])=O,"InChI=1/C25H29ClN5O2.ClH/c1-4-29(16-17-31(2,3)19-20-8-6-5-7-9-20)22-12-10-21(11-13-22)27-28-25-15-14-23(30(32)33)18-24(25)26;/h5-15,18H,4,16-17,19H2,1-3H3;1H/q+1;/p-1",C25H29ClN5O2.Cl,,,,,,PXXCCMGFXWJIJS-UHFFFAOYSA-M,,,,,,,,,,,
100.050.346,255-399-6,41489-07-0,"5-oxo-DL-proline, compound with hexadecyl L-lysinate (1:1)",5-oxo-L-proline - hexadecyl L-lysinate (1:1),CCCCCCCCCCCCCCCCOC(=O)[C@@H](N)CCCCN.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCOC(=O)[C@@H](N)CCCCN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C22H46N2O2.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-22(25)21(24)18-15-16-19-23;7-4-2-1-3(6-4)5(8)9/h21H,2-20,23-24H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C22H46N2O2.C5H7NO3,,,,,,VGNNYNWSNNGUJC-MMIIXBQKSA-N,,,,,,,,,,,
100.050.348,255-402-0,41489-26-3,"5-oxo-DL-proline, compound with ethyl L-argininate (1:1)",5-oxo-L-proline - ethyl L-argininate (1:1),CCOC(=O)[C@@H](N)CCCNC(=N)N.OC(=O)[C@@H]1CCC(=O)N1,CCOC(=O)[C@@H](N)CCCNC(=N)N.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H18N4O2.C5H7NO3/c1-2-14-7(13)6(9)4-3-5-12-8(10)11;7-4-2-1-3(6-4)5(8)9/h6H,2-5,9H2,1H3,(H4,10,11,12);3H,1-2H2,(H,6,7)(H,8,9)",C8H18N4O2.C5H7NO3,,,,,,IYZFUNXNGXBNJP-QPFDAVBJSA-N,,,,,,,,,,,
100.050.349,255-403-6,41489-29-6,"5-oxo-DL-proline, compound with ethyl N2-lauroyl-L-argininate (1:1)",5-oxo-L-proline - ethyl N~2~-dodecanoyl-L-argininate (1:1),CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C20H40N4O3.C5H7NO3/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27-4-2)14-13-16-23-20(21)22;7-4-2-1-3(6-4)5(8)9/h17H,3-16H2,1-2H3,(H,24,25)(H4,21,22,23);3H,1-2H2,(H,6,7)(H,8,9)",C20H40N4O3.C5H7NO3,,,,,,AWFNXUWJDIVELQ-BRFVKMHBSA-N,,,,,,,,,,,
100.050.356,255-410-4,41496-43-9,2-methyl-3-(p-tolyl)propionaldehyde,2-methyl-3-(4-methylphenyl)propanal,CC(Cc1ccc(C)cc1)C=O,CC(Cc1ccc(C)cc1)C=O,"InChI=1/C11H14O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,8,10H,7H2,1-2H3",C11H14O,,,,,,SGVBCLGVIOFAFT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.357,255-412-5,41498-71-9,Exo-2-norbornyl formate,bicyclo[2.2.1]hept-2-yl formate,O=CO[C@@H]1C[C@H]2CC[C@@H]1C2,O=CO[C@@H]1C[C@H]2CC[C@@H]1C2,"InChI=1/C8H12O2/c9-5-10-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2",C8H12O2,,,,,,SGXIEZNAOCVSKO-XLPZGREQSA-N,,,,,,,,,,,
100.050.369,255-425-6,41521-55-5,3-amino-6-nitrotoluene-4-sulphonic acid,2-amino-4-methyl-5-nitrobenzenesulfonic acid,Cc1cc(N)c(cc1[N+](=O)[O-])S(=O)(=O)O,Cc1cc(N)c(cc1[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H8N2O5S/c1-4-2-5(8)7(15(12,13)14)3-6(4)9(10)11/h2-3H,8H2,1H3,(H,12,13,14)",C7H8N2O5S,,,,,,FGHYCAHVTIVKDB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.372,255-428-2,41532-81-4,2-methoxyethyl phenyl ether,(2-methoxyethoxy)benzene,COCCOc1ccccc1,COCCOc1ccccc1,"InChI=1/C9H12O2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",C9H12O2,,,,,,IFQVEYUAIINTRX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.373,255-429-8,41532-84-7,"1,1,2-trimethyl-1H-benz[e]indole","1,1,2-trimethyl-1H-benzo[e]indole",CC1=Nc2ccc3ccccc3c2C1(C)C,CC1=Nc2ccc3ccccc3c2C1(C)C,"InChI=1/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3",C15H15N,,,,,,WJZSZXCWMATYFX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.010,258-330-8,53054-11-8,"2,4,5-trichlorophenyl N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]glycinate","2,4,5-trichlorophenyl N-(tert-butoxycarbonyl)-L-alanylglycinate",C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Oc1cc(Cl)c(Cl)cc1Cl,C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C16H19Cl3N2O5/c1-8(21-15(24)26-16(2,3)4)14(23)20-7-13(22)25-12-6-10(18)9(17)5-11(12)19/h5-6,8H,7H2,1-4H3,(H,20,23)(H,21,24)",C16H19Cl3N2O5,,,,,,QTPKBIWTFSCUID-QMMMGPOBSA-N,,,,,,,,,,,
100.053.028,258-350-7,53082-58-9,3-methylpentyl 2-methylisocrotonate,3-methylpentyl 2-methylbut-2-enoate,CCC(C)CCOC(=O)\\C(=C/C)\\C,CCC(C)CCOC(=O)\C(=C/C)\C,"InChI=1/C11H20O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h6,9H,5,7-8H2,1-4H3",C11H20O2,,,,,,UKYIGGARIIFOAB-POHAHGRESA-N,,,,,,,,,,,
100.053.029,258-351-2,53086-13-8,Dexindoprofen,"2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid",C[C@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,C[C@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,"InChI=1/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)",C17H15NO3,,,,,,RJMIEHBSYVWVIN-NSHDSACASA-N,,,,,,,,,,,
100.053.035,258-358-0,53095-15-1,"Nitric acid, aluminum salt, basic",-,[Al+3].[O-][N+](=O)[O-],[Al+3].[O-][N+](=O)[O-],InChI=1/Al.NO3/c;2-1(3)4/q+3;-1,-,,,,,,JOCQCMXTZJKVFC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.050,258-374-8,53120-27-7,"(3Z,13Z)-octadeca-3,13-dienyl acetate","octadeca-3,13-dien-1-yl acetate",CCCC\\C=C/CCCCCCCC\\C=C/CCOC(=O)C,CCCC\C=C/CCCCCCCC\C=C/CCOC(=O)C,"InChI=1/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3",C20H36O2,,,,,,VVJPJXKHBZNADP-DNNFRFAMSA-N,,,,,,,,,,,
100.053.051,258-375-3,53123-81-2,"9,10-dihydro-9,10-dioxoanthracenedisulphonic acid","9,10-dioxo-9,10-dihydroanthracene-1,2-disulfonic acid",OS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1S(=O)(=O)O,OS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1S(=O)(=O)O,"InChI=1/C14H8O8S2/c15-12-7-3-1-2-4-8(7)13(16)11-9(12)5-6-10(23(17,18)19)14(11)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)",C14H8O8S2,,,,,,PTKWYSNDTXDBIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.121,254-052-6,38640-62-9,Bis(isopropyl)naphthalene,"1,2-diisopropylnaphthalene",CC(C)c1ccc2ccccc2c1C(C)C,CC(C)c1ccc2ccccc2c1C(C)C,"InChI=1/C16H20/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4/h5-12H,1-4H3",C16H20,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12257,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.121,IAUKWGFWINVWKS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.124,254-055-2,38641-17-7,(tert-butyl)methylnaphthalene,"1-(2,2-dimethylpropyl)naphthalene",CC(C)(C)Cc1cccc2ccccc12,CC(C)(C)Cc1cccc2ccccc12,"InChI=1/C15H18/c1-15(2,3)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10H,11H2,1-3H3",C15H18,,,,,,KUQOKOVUZSOFGP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.150,255-184-7,41035-89-6,Dimethylamine phosphate,N-methylmethanamine phosphate,CNC.OP(=O)(O)O,CNC.OP(=O)(O)O,"InChI=1/C2H7N.H3O4P/c1-3-2;1-5(2,3)4/h3H,1-2H3;(H3,1,2,3,4)",C2H7N.xH3O4P,,,,,,XGTXYBOCSYLHCD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.156,255-191-5,41051-72-3,"2-methylbutane-1,2-diol","2-methylbutane-1,2-diol",CCC(C)(O)CO,CCC(C)(O)CO,"InChI=1/C5H12O2/c1-3-5(2,7)4-6/h6-7H,3-4H2,1-2H3",C5H12O2,,,,,,DOPZLYNWNJHAOS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.945,257-159-6,51371-02-9,(±)-3-(dimethylamino)-2-methylpropiophenone,"N,N,2-trimethyl-3-phenylpropanamide",CC(Cc1ccccc1)C(=O)N(C)C,CC(Cc1ccccc1)C(=O)N(C)C,"InChI=1/C12H17NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3",C12H17NO,,,,,,IAAIMIULTLQXBS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.946,257-160-1,51372-28-2,"(S)-16a,17-(butylidenedioxy)-11ß,21-dihydroxypregna-1,4-diene-3,20-dione","6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,8,9,10,11,12a,13,13a,13b,14,15-hexadecahydro-2H-naphtho[2',1':4,5]indeno[1,2-b][1,4]dioxocin-2-one",CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC5OCCCCOC25C(=O)CO,CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC5OCCCCOC25C(=O)CO,"InChI=1/C25H34O6/c1-23-8-7-16(27)11-15(23)5-6-17-18-12-21-25(20(29)14-26,31-10-4-3-9-30-21)24(18,2)13-19(28)22(17)23/h7-8,11,17-19,21-22,26,28H,3-6,9-10,12-14H2,1-2H3",C25H34O6,,,,,,PTKCJHKEPGKYJI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.952,257-166-4,51384-51-1,1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol,COCCc1ccc(OCC(O)CNC(C)C)cc1,COCCc1ccc(OCC(O)CNC(C)C)cc1,"InChI=1/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",C15H25NO3,,,,,,IUBSYMUCCVWXPE-UHFFFAOYSA-N,Positive,AU110701;EA017201|EA017202|EA017203|EA017204|EA017205|EA017206|EA017207|EA017208|EA017209|EA017210|EA017211|EA017212|EA017213|EA017214;TUE00531|TUE00532|TUE00533;UF407201|UF407202|UF407203|UF407204,[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID20.5-30.7;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;NA10.0V|NA20.0V|NA40.0V;HCD55|HCD80|CID35|CID55,268.1923:74.0597:72.0804;191.1067:116.107:218.1538|268.191|268.1904:116.107:191.1069|268.1904:116.107:74.0601|133.0647:74.06:121.0647|133.0649:121.0648:74.06|103.0542:105.0698:121.0647|268.1909|268.191:116.107:191.1066|268.1908:116.1071:74.0601|133.0648:74.0601:121.0648|133.0648:121.0648:105.0699|103.0542:105.0699:91.0542|191.1067:116.107:218.1539;268.1912:116.107:72.0807|268.1911:74.0602:72.0808|56.0495:74.0602:103.0543;133.0649:116.1071:121.0649|103.0543:105.0699:121.0648|268.1911:191.1069:116.1071|191.1069:116.1071:159.0806,Athens_Univ;Eawag;Env_Anal_Chem_U_Tuebingen;UFZ,,,,,
100.051.960,257-175-3,51404-69-4,"Acetic acid, lead salt, basic",-,[Pb].CC(O)=O,[Pb].CC(O)=O,"InChI=1/C2H4O2.Pb.2H/c1-2(3)4;;;/h1H3,(H,3,4);;;/q;+4;;/rC2H4O2.H2Pb/c1-2(3)4;/h1H3,(H,3,4);1H2/q;+4",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5183,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.960,PNZVFASWDSMJER-UHFFFAOYSA-N,,,,,,,,,,,
100.051.964,257-180-0,51407-46-6,2-(4-isobutylphenyl)propionaldehyde,2-(4-isobutylphenyl)propanal,CC(C)Cc1ccc(cc1)C(C)C=O,CC(C)Cc1ccc(cc1)C(C)C=O,"InChI=1/C13H18O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,9-11H,8H2,1-3H3",C13H18O,,,,,,DMZVZANOMJGHKO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.902,253-811-9,38177-07-0,5-nitroisophthaldiamide,5-nitroisophthalamide,NC(=O)c1cc(cc(c1)N(=O)=O)C(=O)N,NC(=O)c1cc(cc(c1)N(=O)=O)C(=O)N,"InChI=1/C8H7N3O4/c9-7(12)4-1-5(8(10)13)3-6(2-4)11(14)15/h1-3H,(H2,9,12)(H2,10,13)",C8H7N3O4,,,,,,SDQJTJLJXCWVQR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.904,253-814-5,38183-12-9,"4-phenylspiro[furan-2(3H),1'(3'H)-isobenzofuran]-3,3'-dione","4'-phenyl-3H,3'H-spiro[2-benzofuran-1,2'-furan]-3,3'-dione",O=C1OC2(OC=C(C2=O)c3ccccc3)c4ccccc14,O=C1OC2(OC=C(C2=O)c3ccccc3)c4ccccc14,InChI=1/C17H10O4/c18-15-13(11-6-2-1-3-7-11)10-20-17(15)14-9-5-4-8-12(14)16(19)21-17/h1-10H,C17H10O4,,,,,,ZFKJVJIDPQDDFY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.907,253-817-1,38185-48-7,"6-[(3,4-dihydroxyphenyl)methyl]-2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-9H-benzo[a]xanthen-9-one","6-(3,4-dihydroxybenzyl)-2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-9H-benzo[a]xanthen-9-one",COc1cc2c(c(Cc3ccc(O)c(O)c3)c4OC5=CC(=O)C(=CC5=Cc4c2c(OC)c1O)O)c6ccc(O)cc6OC,COc1cc2c(c(Cc3ccc(O)c(O)c3)c4OC5=CC(=O)C(=CC5=Cc4c2c(OC)c1O)O)c6ccc(O)cc6OC,"InChI=1/C33H26O10/c1-40-27-12-17(34)5-6-18(27)29-19-13-28(41-2)31(39)33(42-3)30(19)21-10-16-11-24(37)25(38)14-26(16)43-32(21)20(29)8-15-4-7-22(35)23(36)9-15/h4-7,9-14,34-37,39H,8H2,1-3H3",C33H26O10,,,,,,PAQLVBBEBYHSEA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.912,253-822-9,38201-66-0,"3,7-bis(1-methyl-1-phenylethyl)-10H-phenothiazine","3,7-bis(1-methyl-1-phenylethyl)-10H-phenothiazine",CC(C)(c1ccccc1)c2ccc3Nc4ccc(cc4Sc3c2)C(C)(C)c5ccccc5,CC(C)(c1ccccc1)c2ccc3Nc4ccc(cc4Sc3c2)C(C)(C)c5ccccc5,"InChI=1/C30H29NS/c1-29(2,21-11-7-5-8-12-21)23-15-17-25-27(19-23)32-28-20-24(16-18-26(28)31-25)30(3,4)22-13-9-6-10-14-22/h5-20,31H,1-4H3",C30H29NS,,,,,,ZKMLFEHQOYQZCB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.915,253-826-0,38205-60-6,"1-(2,4-dimethylthiazol-5-yl)ethan-1-one","1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone",CC(=O)c1sc(C)nc1C,CC(=O)c1sc(C)nc1C,InChI=1/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3,C7H9NOS,,,,,,BLQOKWQUTLNKON-UHFFFAOYSA-N,,,,,,,,,,,
100.048.921,253-832-3,38219-60-2,(S)-4-[[2-(acetylamino)-3-(4-hydroxyphenyl)-1-oxopropyl]amino]benzoic acid,4-[(N-acetyl-L-tyrosyl)amino]benzoic acid,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc2ccc(cc2)C(=O)O,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc2ccc(cc2)C(=O)O,"InChI=1/C18H18N2O5/c1-11(21)19-16(10-12-2-8-15(22)9-3-12)17(23)20-14-6-4-13(5-7-14)18(24)25/h2-9,16,22H,10H2,1H3,(H,19,21)(H,20,23)(H,24,25)",C18H18N2O5,,,,,,KBMLOINBCRNELT-INIZCTEOSA-N,,,,,,,,,,,
100.048.925,253-837-0,38225-48-8,Dipotassium octylphosphonate,dipotassium octylphosphonate,[K+].[K+].CCCCCCCCP(=O)([O-])[O-],[K+].[K+].CCCCCCCCP(=O)([O-])[O-],"InChI=1/C8H19O3P.2K/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2",C8H19O3P.2K,,,,,,LJHHXGDGNDIYME-UHFFFAOYSA-L,,,,,,,,,,,
100.051.003,256-122-1,43156-48-5,"4-(phenylthio)benzene-1,2-diamine","4-(phenylsulfanyl)benzene-1,2-diamine",Nc1ccc(Sc2ccccc2)cc1N,Nc1ccc(Sc2ccccc2)cc1N,"InChI=1/C12H12N2S/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H,13-14H2",C12H12N2S,,,,,,YLEPPBFOGUYOEI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.016,256-136-8,43192-32-1,2-bromo-5-ethoxybenzaldehyde,2-bromo-5-ethoxybenzaldehyde,CCOc1ccc(Br)c(C=O)c1,CCOc1ccc(Br)c(C=O)c1,"InChI=1/C9H9BrO2/c1-2-12-8-3-4-9(10)7(5-8)6-11/h3-6H,2H2,1H3",C9H9BrO2,,,,,,HXFMXRXUSOYTGF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.018,256-138-9,43200-80-2,Zopiclone,"6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate",CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4,CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4,"InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",C17H17ClN6O3,,,,,,GBBSUAFBMRNDJC-UHFFFAOYSA-N,Positive,AU157906;EQ364301|EQ364302|EQ364303|EQ364304|EQ364305|EQ364306|EQ364307|EQ364308|EQ364309,[M+H]+;[M+H]+,CIDRAMP 23.4-35.1;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,245.0222:217.0277:263.0334;245.0226:345.1227:263.0332|245.0226:263.0332:217.0277|217.0277:245.0226:139.0058|217.0277:130.0055:139.0058|130.0055:217.0277:139.0058|130.0055:111.9949:139.0058|130.0055:76.0181:111.9949|76.0181:111.9949:130.0055|76.0181:75.0104:84.984,Athens_Univ;Eawag,,,,,
100.051.026,256-147-8,43218-35-5,3-(benzoylamino)-2-methylpropionic acid,3-(benzoylamino)-2-methylpropanoic acid,CC(CNC(=O)c1ccccc1)C(=O)O,CC(CNC(=O)c1ccccc1)C(=O)O,"InChI=1/C11H13NO3/c1-8(11(14)15)7-12-10(13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)",C11H13NO3,,,,,,CCEBPEVKSYSXIR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.132,259-565-9,55285-14-8,"2,3-dihydro-2,2-dimethyl-7-benzofuryl [(dibutylamino)thio]methylcarbamate","2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl [(dibutylamino)sulfanyl]methylcarbamate",CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12,CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12,"InChI=1/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3",C20H32N2O3S,,,,,,JLQUFIHWVLZVTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.135,259-569-0,55289-50-4,"Lithium (±)-2,4-dihydroxy-3,3-dimethylbutyrate","lithium 2,4-dihydroxy-3,3-dimethylbutanoate",[Li]OC(=O)C(O)C(C)(C)CO,[Li]OC(=O)C(O)C(C)(C)CO,"InChI=1/C6H12O4.Li/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1",C6H12O4.Li,,,,,,SHALEYHZRCFWGT-UHFFFAOYSA-M,,,,,,,,,,,
100.054.139,259-573-2,55294-15-0,Muzolimine,"5-amino-2-[1-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-3H-pyrazol-3-one",CC(N1N=C(N)CC1=O)c2ccc(Cl)c(Cl)c2,CC(N1N=C(N)CC1=O)c2ccc(Cl)c(Cl)c2,"InChI=1/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)",C11H11Cl2N3O,,,,,,RLWRMIYXDPXIEX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.143,259-577-4,55296-94-1,N-[3-[ethyl(3-phenylpropyl)amino]phenyl]acetamide,N-{3-[ethyl(3-phenylpropyl)amino]phenyl}acetamide,CCN(CCCc1ccccc1)c2cccc(NC(=O)C)c2,CCN(CCCc1ccccc1)c2cccc(NC(=O)C)c2,"InChI=1/C19H24N2O/c1-3-21(14-8-11-17-9-5-4-6-10-17)19-13-7-12-18(15-19)20-16(2)22/h4-7,9-10,12-13,15H,3,8,11,14H2,1-2H3,(H,20,22)",C19H24N2O,,,,,,AORCSBVDYMRZOW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.145,259-580-0,55297-95-5,Tiamulin,"5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate",CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CCC(C)[C@]1(C)[C@@H]2C(=O)CC3,CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CCC(C)[C@]1(C)[C@@H]2C(=O)CC3,"InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3",C28H47NO4S,,,,,,UURAUHCOJAIIRQ-OTIUGTKVSA-N,,,,,,,,,,,
100.054.156,259-592-6,55326-87-9,Indium hydroxide,indium trihydroxide,[OH-].[OH-].[OH-].[In+3],[OH-].[OH-].[OH-].[In+3],InChI=1/In.3H2O/h;3*1H2/q+3;;;/p-3,-,,,,,,IGUXCTSQIGAGSV-UHFFFAOYSA-K,,,,,,,,,,,
100.054.159,259-595-2,55329-60-7,"Disodium 4-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-{[5-chloro-6-methyl-2-(methylsulfonyl)pyrimidin-4-yl]amino}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Cc1nc(nc(Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-])c1Cl)S(=O)(=O)C,[Na+].[Na+].Cc1nc(nc(Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-])c1Cl)S(=O)(=O)C,"InChI=1/C16H14ClN3O9S3.2Na/c1-7-14(17)15(20-16(18-7)30(2,22)23)19-11-5-9(31(24,25)26)3-8-4-10(32(27,28)29)6-12(21)13(8)11;;/h3-6,21H,1-2H3,(H,18,19,20)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H14ClN3O9S3.2Na,,,,,,OGDLMMQJBPESNI-UHFFFAOYSA-L,,,,,,,,,,,
100.054.161,259-597-3,55335-06-3,"[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid","[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid",OC(=O)COc1nc(Cl)c(Cl)cc1Cl,OC(=O)COc1nc(Cl)c(Cl)cc1Cl,"InChI=1/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)",C7H4Cl3NO3,,,,,,REEQLXCGVXDJSQ-UHFFFAOYSA-N,Positive,EA294601|EA294602|EA294603|EA294604|EA294605|EA294606|EA294607|EA294608|EA294609|EA294610|EA294611|EA294612|EA294613|EA294614,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,237.9225:209.9274:197.9274|255.933:237.9224:209.9273|209.9275:197.9274:237.9224|209.9275:181.9326:197.9275|145.9559:163.9665:181.9326|145.9559:179.917:163.9664|179.9168:145.9558:109.9791|255.933:237.9222:209.9274|209.9274:197.9274:237.9221|209.9274:181.9324:197.9273|145.9558:163.9664:181.9325|179.9168:145.9558:163.9663|179.9168:145.9558:109.9791|237.9224:209.9273:197.9274,Eawag,,,,,
100.054.167,259-603-4,55348-78-2,"(4E,8E)-12-aminododeca-4,8-dienoic acid","12-aminododeca-4,8-dienoic acid",NCCC\\C=C\\CC\\C=C\\CCC(=O)O,NCCC\C=C\CC\C=C\CCC(=O)O,"InChI=1/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h3-6H,1-2,7-11,13H2,(H,14,15)",C12H21NO2,,,,,,DBYBTIHLLFVDFH-GGWOSOGESA-N,,,,,,,,,,,
100.054.168,259-605-5,55348-85-1,8-oxooct-4-enoic acid,8-oxooct-4-enoic acid,OC(=O)CCC=CCCC=O,OC(=O)CCC=CCCC=O,"InChI=1/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h1-2,7H,3-6H2,(H,10,11)",C8H12O3,,,,,,BESKFJNLFBROGY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.692,254-681-6,39895-55-1,4-tert-butylbenzylamine,1-(4-tert-butylphenyl)methanamine,CC(C)(C)c1ccc(CN)cc1,CC(C)(C)c1ccc(CN)cc1,"InChI=1/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3",C11H17N,,,,,,MPWSRGAWRAYBJK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.693,254-682-1,39896-06-5,Quinuclidine hydrochloride,quinuclidine hydrochloride,Cl.C1CN2CCC1CC2,Cl.C1CN2CCC1CC2,"InChI=1/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H",C7H13N.ClH,,,,,,BZLBBZLOMXKMTA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.694,254-683-7,39897-15-9,N2-[(vinyloxy)carbonyl]-L-asparagine,N~2~-[(vinyloxy)carbonyl]-L-asparagine,NC(=O)C[C@H](NC(=O)OC=C)C(=O)O,NC(=O)C[C@H](NC(=O)OC=C)C(=O)O,"InChI=1/C7H10N2O5/c1-2-14-7(13)9-4(6(11)12)3-5(8)10/h2,4H,1,3H2,(H2,8,10)(H,9,13)(H,11,12)",C7H10N2O5,,,,,,BMSCCLGRZMGNFN-BYPYZUCNSA-N,,,,,,,,,,,
100.049.695,254-684-2,39897-19-3,N-[(vinyloxy)carbonyl]-L-tryptophan,N-[(vinyloxy)carbonyl]tryptophan,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC=C,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC=C,"InChI=1/C14H14N2O4/c1-2-20-14(19)16-12(13(17)18)7-9-8-15-11-6-4-3-5-10(9)11/h2-6,8,12,15H,1,7H2,(H,16,19)(H,17,18)",C14H14N2O4,,,,,,ZYSDNTTYVOJEHJ-LBPRGKRZSA-N,,,,,,,,,,,
100.049.702,254-692-6,39900-12-4,"1-(2,6,6-trimethyl-1-cyclohexen-1-yl)butane-1,3-dione","1-(2,6,6-trimethylcyclohex-1-en-1-yl)butane-1,3-dione",CC(=O)CC(=O)C1=C(C)CCCC1(C)C,CC(=O)CC(=O)C1=C(C)CCCC1(C)C,"InChI=1/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h5-8H2,1-4H3",C13H20O2,,,,,,HZBFGGQVOGNFKB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.704,254-694-7,39900-95-3,2-[[[4-(dimethylamino)phenyl]methylene]amino]benzoic acid,2-{[4-(dimethylamino)benzylidene]amino}benzoic acid,CN(C)c2ccc(C=Nc1ccccc1C(O)=O)cc2,CN(C)c2ccc(C=Nc1ccccc1C(O)=O)cc2,"InChI=1/C16H16N2O2/c1-18(2)13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16(19)20/h3-11H,1-2H3,(H,19,20)",C16H16N2O2,,,,,,POYMPTXRBMLDIL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.705,254-695-2,39905-50-5,4-pentyloxyaniline,4-(pentyloxy)aniline,CCCCCOc1ccc(N)cc1,CCCCCOc1ccc(N)cc1,"InChI=1/C11H17NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3",C11H17NO,,,,,,QZLNSNIHXKQIIS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.708,254-698-9,39910-98-0,4-morpholinoacetophenone,1-(4-morpholin-4-ylphenyl)ethanone,CC(=O)c1ccc(cc1)N2CCOCC2,CC(=O)c1ccc(cc1)N2CCOCC2,"InChI=1/C12H15NO2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3",C12H15NO2,,,,,,AKQWEDMTPCAESO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.709,254-699-4,39920-37-1,"1,3-dichloro-2-isocyanatobenzene","1,3-dichloro-2-isocyanatobenzene",Clc1cccc(Cl)c1N=C=O,Clc1cccc(Cl)c1N=C=O,InChI=1/C7H3Cl2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H,C7H3Cl2NO,,,,,,HMVKMAMIRAVXAN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.711,254-701-3,39924-26-0,(Z)-oct-4-enal,oct-4-enal,CCC\\C=C/CCC=O,CCC\C=C/CCC=O,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h4-5,8H,2-3,6-7H2,1H3",C8H14O,,,,,,ICPZCFJMCZRIPY-PLNGDYQASA-N,,,,,,,,,,,
100.049.715,254-706-0,39926-11-9,Ethyl quinuclidine-2-carboxylate,ethyl quinuclidine-2-carboxylate,CCOC(=O)C1CC2CCN1CC2,CCOC(=O)C1CC2CCN1CC2,"InChI=1/C10H17NO2/c1-2-13-10(12)9-7-8-3-5-11(9)6-4-8/h8-9H,2-7H2,1H3",C10H17NO2,,,,,,KCCLFMFYEDPKEL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.720,254-711-8,39948-18-0,"3-methoxy-O,a-dimethyl-L-tyrosine","3-methoxy-O,alpha-dimethyl-L-tyrosine",COc1ccc(C[C@](C)(N)C(=O)O)cc1OC,COc1ccc(C[C@](C)(N)C(=O)O)cc1OC,"InChI=1/C12H17NO4/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3/h4-6H,7,13H2,1-3H3,(H,14,15)",C12H17NO4,,,,,,QCCQWLWXLUTSAK-LBPRGKRZSA-N,,,,,,,,,,,
100.049.721,254-712-3,39950-77-1,Magnesium 2-methylpropanolate,magnesium bis(2-methylpropan-1-olate),[Mg+2].CC(C)C[O-].CC(C)C[O-],[Mg+2].CC(C)C[O-].CC(C)C[O-],"InChI=1/2C4H9O.Mg/c2*1-4(2)3-5;/h2*4H,3H2,1-2H3;/q2*-1;+2",C4H10O.1/2Mg,,,,,,XQKMTQDVCPIKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.730,254-722-8,39973-15-4,Methyl hydrogen 4-(m-aminobenzoyl)phthalate,5-(3-aminobenzoyl)-2-(methoxycarbonyl)benzoic acid,COC(=O)c1ccc(cc1C(=O)O)C(=O)c2cccc(N)c2,COC(=O)c1ccc(cc1C(=O)O)C(=O)c2cccc(N)c2,"InChI=1/C16H13NO5/c1-22-16(21)12-6-5-10(8-13(12)15(19)20)14(18)9-3-2-4-11(17)7-9/h2-8H,17H2,1H3,(H,19,20)",C16H13NO5,,,,,,USGNUNQWPVPVAN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.733,254-725-4,39975-26-3,"Sodium 3,4-dichlorophenolate","sodium 3,4-dichlorophenolate",[Na+].[O-]c1ccc(Cl)c(Cl)c1,[Na+].[O-]c1ccc(Cl)c(Cl)c1,"InChI=1/C6H4Cl2O.Na/c7-5-2-1-4(9)3-6(5)8;/h1-3,9H;/q;+1/p-1",C6H4Cl2O.Na,,,,,,ZLUZHXGLNFCZPR-UHFFFAOYSA-M,,,,,,,,,,,
100.049.734,254-727-5,39977-73-6,Quinoline-3-carbaldehyde oxime,quinoline-3-carbaldehyde oxime,ON=Cc1cc2ccccc2nc1,ON=Cc1cc2ccccc2nc1,"InChI=1/C10H8N2O/c13-12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7,13H",C10H8N2O,,,,,,UDWKFPQPWSWXHC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.915,256-025-4,42966-30-3,Magnesium di(decanoate),magnesium didecanoate,[Mg+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/2C10H20O2.Mg/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Mg,,,,,,WWRYOAYBSQIWNU-UHFFFAOYSA-L,,,,,,,,,,,
100.050.627,255-708-4,42217-02-7,Chloroicosane,1-chloroicosane,CCCCCCCCCCCCCCCCCCCCCl,CCCCCCCCCCCCCCCCCCCCCl,"InChI=1/C20H41Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3",C20H41Cl,,,,,,AFGNVSCTEXUEJE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.628,255-710-5,42217-03-8,1-chlorodocosane,1-chlorodocosane,CCCCCCCCCCCCCCCCCCCCCCCl,CCCCCCCCCCCCCCCCCCCCCCCl,"InChI=1/C22H45Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3",C22H45Cl,,,,,,OACXFSZVCDOBKF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.629,255-711-0,42218-29-1,Decyl docosanoate,decyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,"InChI=1/C32H64O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32(33)34-31-29-27-25-12-10-8-6-4-2/h3-31H2,1-2H3",C32H64O2,,,,,,KSCAZGPKPGSMTR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.631,255-713-1,42222-50-4,"2,2-dimethyl-1,3-propanediyl dioleate","2,2-dimethylpropane-1,3-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C41H76O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3",C41H76O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13927,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.631,AMZKGJLFYCZDMJ-WRBBJXAJSA-N,,,,,,,,,,,
100.050.639,255-722-0,42231-99-2,Hexyl myristate,hexyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCC,CCCCCCCCCCCCCC(=O)OCCCCCC,"InChI=1/C20H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(21)22-19-17-8-6-4-2/h3-19H2,1-2H3",C20H40O2,,,,,,JIFCVUWJQMDNTN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.642,255-725-7,42232-29-1,Dodecyl palmitate,dodecyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,"InChI=1/C28H56O2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28(29)30-27-25-23-21-19-14-12-10-8-6-4-2/h3-27H2,1-2H3",C28H56O2,,,,,,GULIJHQUYGTWSO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.644,255-727-8,42233-11-4,Hexadecyl docosanoate,hexadecyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C38H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3",C38H76O2,,,,,,UEDYHQHDUXDFGA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.651,255-735-1,42245-42-1,Methyl 3-(p-methoxyphenyl)oxirane-2-carboxylate,methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate,COC(=O)C1OC1c2ccc(OC)cc2,COC(=O)C1OC1c2ccc(OC)cc2,"InChI=1/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3",C11H12O4,,,,,,CVZUMGUZDAWOGA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.654,255-738-8,42254-63-7,Heptyl oleate,heptyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCCC,"InChI=1/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)27-24-22-20-8-6-4-2/h13-14H,3-12,15-24H2,1-2H3",C25H48O2,,,,,,XSCIEKYDPGHXMD-YPKPFQOOSA-N,,,,,,,,,,,
100.048.512,253-380-7,37172-54-6,Ethyl 2-hexyl-3-oxocyclopentanecarboxylate,ethyl 2-hexyl-3-oxocyclopentanecarboxylate,CCCCCCC1C(CCC1=O)C(=O)OCC,CCCCCCC1C(CCC1=O)C(=O)OCC,"InChI=1/C14H24O3/c1-3-5-6-7-8-11-12(9-10-13(11)15)14(16)17-4-2/h11-12H,3-10H2,1-2H3",C14H24O3,,,,,,INTQBOZOCPYNQM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.514,253-382-8,37172-89-7,1-ethynyl-2-(1-methylpropyl)cyclohexan-1-ol,2-sec-butyl-1-ethynylcyclohexanol,CCC(C)C1CCCCC1(O)C#C,CCC(C)C1CCCCC1(O)C#C,"InChI=1/C12H20O/c1-4-10(3)11-8-6-7-9-12(11,13)5-2/h2,10-11,13H,4,6-9H2,1,3H3",C12H20O,,,,,,NETONJQRBNZZHO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.517,253-385-4,37187-64-7,Gold cyanide,gold(1+) cyanide,[Au+].[C-]#N,[Au+].[C-]#N,InChI=1/CN.Au/c1-2;/q-1;+1,-,,,,,,IZLAVFWQHMDDGK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.522,253-391-7,37203-76-2,"Phosphoric acid, ethyl ester",ethyl dihydrogen phosphate,CCOP(=O)(O)O,CCOP(=O)(O)O,"InChI=1/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)",-,,,,,,ZJXZSIYSNXKHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.535,253-407-2,37220-82-9,"9-Octadecenoic acid (Z)-, ester with 1,2,3-propanetriol",2-hydroxy-1-(hydroxymethyl)ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(CO)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO,"InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3",-,,,,,,UPWGQKDVAURUGE-KTKRTIGZSA-N,,,,,,,,,,,
100.048.538,253-410-9,37224-61-6,Isooctyldinitrophenol,"4-(6-methylheptyl)-3,5-dinitrophenol",CC(C)CCCCCc1c(cc(O)cc1N(=O)=O)N(=O)=O,CC(C)CCCCCc1c(cc(O)cc1N(=O)=O)N(=O)=O,"InChI=1/C14H20N2O5/c1-10(2)6-4-3-5-7-12-13(15(18)19)8-11(17)9-14(12)16(20)21/h8-10,17H,3-7H2,1-2H3",C14H20N2O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17043,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.538,LZHVTZNVSMHVQV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.539,253-411-4,37228-06-1,"Boric acid, barium salt",barium hydrogen borate,[Ba+2].OB([O-])[O-],[Ba+2].OB([O-])[O-],InChI=1/BHO3.Ba/c2-1(3)4;/h2H;/q-2;+2,-,,,,,,CTIFUZHVYFTURN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.552,253-427-1,37248-62-7,"Aluminium, compound with calcium (3:1)",aluminum - calcium (3:1),[AlH3].[AlH3].[AlH3].[CaH2],[AlH3].[AlH3].[AlH3].[CaH2],InChI=1/3Al.Ca.11H/q3*+3;+2;;;;;;;;;;;/r3AlH3.CaH2/h3*1H3;1H2/q3*+3;+2,Al.Ca,,,,,,GYPTZZGURUZBPA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.926,253-838-6,38228-20-5,"[[4-amino-6-[(hydroxymethyl)amino]-1,3,5-triazin-2-yl]imino]bismethanol","({4-amino-6-[(hydroxymethyl)amino]-1,3,5-triazin-2-yl}imino)dimethanol",Nc1nc(NCO)nc(n1)N(CO)CO,Nc1nc(NCO)nc(n1)N(CO)CO,"InChI=1/C6H12N6O3/c7-4-9-5(8-1-13)11-6(10-4)12(2-14)3-15/h13-15H,1-3H2,(H3,7,8,9,10,11)",C6H12N6O3,,,,,,PYOYNYIKNOJHFL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.928,253-840-7,38228-51-2,"1,5-dimethylhex-5-enyl acetate","1,5-dimethylhex-5-en-1-yl acetate",CC(CCCC(=C)C)OC(=O)C,CC(CCCC(=C)C)OC(=O)C,"InChI=1/C10H18O2/c1-8(2)6-5-7-9(3)12-10(4)11/h9H,1,5-7H2,2-4H3",C10H18O2,,,,,,BJZUDLDYGABDLT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.931,253-843-3,38233-99-7,4-(2-methylprop-1-enyl)-N-(2-methylpropylidene)piperazine-1-ethylamine,2-[4-(2-methylprop-1-en-1-yl)piperazin-1-yl]-N-(2-methylpropylidene)ethanamine,CC(C)C=NCCN1CCN(CC1)C=C(C)C,CC(C)C=NCCN1CCN(CC1)C=C(C)C,"InChI=1/C14H27N3/c1-13(2)11-15-5-6-16-7-9-17(10-8-16)12-14(3)4/h11-13H,5-10H2,1-4H3",C14H27N3,,,,,,XRVOMWFWRKPBNF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.932,253-844-9,38235-58-4,"(1S-trans)-5-hydroxy-a,a,4-trimethylcyclohex-3-ene-1-methanol",5-(1-hydroxy-1-methylethyl)-2-methylcyclohex-2-en-1-ol,CC1=CC[C@@H](C[C@H]1O)C(C)(C)O,CC1=CC[C@@H](C[C@H]1O)C(C)(C)O,"InChI=1/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3",C10H18O2,,,,,,OMDMTHRBGUBUCO-DTWKUNHWSA-N,,,,,,,,,,,
100.048.934,253-847-5,38237-68-2,"Endo-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-4,5-xylenol","4,5-dimethyl-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol",Cc1cc(O)c(cc1C)C2CC3CCC2(C)C3(C)C,Cc1cc(O)c(cc1C)C2CC3CCC2(C)C3(C)C,"InChI=1/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3",C18H26O,,,,,,RNRHMQWZFJXKLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.935,253-848-0,38241-51-9,2-chloro-1-ethoxy-4-isocyanatobenzene,2-chloro-1-ethoxy-4-isocyanatobenzene,CCOc1ccc(cc1Cl)N=C=O,CCOc1ccc(cc1Cl)N=C=O,"InChI=1/C9H8ClNO2/c1-2-13-9-4-3-7(11-6-12)5-8(9)10/h3-5H,2H2,1H3",C9H8ClNO2,,,,,,ZLCLNXPSGUUSBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.938,253-851-7,38254-74-9,"p-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid","4-(3,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1C(=NN(C1=O)c2ccc(cc2)S(=O)(=O)O)C,CC1C(=NN(C1=O)c2ccc(cc2)S(=O)(=O)O)C,"InChI=1/C11H12N2O4S/c1-7-8(2)12-13(11(7)14)9-3-5-10(6-4-9)18(15,16)17/h3-7H,1-2H3,(H,15,16,17)",C11H12N2O4S,,,,,,VFNOFXXKKALBEP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.940,253-853-8,38258-92-3,1-methoxybicyclo[2.2.2]oct-5-ene-2-carbonitrile,1-methoxybicyclo[2.2.2]oct-5-ene-2-carbonitrile,COC12CCC(CC1C#N)C=C2,COC12CCC(CC1C#N)C=C2,"InChI=1/C10H13NO/c1-12-10-4-2-8(3-5-10)6-9(10)7-11/h2,4,8-9H,3,5-6H2,1H3",C10H13NO,,,,,,XQFSLPUVWRXWSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.941,253-854-3,38260-01-4,"N,N'-bis(2-aminoethyl)ethylenediamine dihydrochloride","N,N'-bis(2-aminoethyl)ethane-1,2-diamine dihydrochloride",Cl.Cl.NCCNCCNCCN,Cl.Cl.NCCNCCNCCN,"InChI=1/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H",C6H18N4.2ClH,,,,,,WYHIICXRPHEJKI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.258,257-503-5,51898-44-3,6-methylergolin-8ß-amine,6-methylergolin-8-amine,CN1C[C@H](N)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34,CN1C[C@H](N)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34,"InChI=1/C15H19N3/c1-18-8-10(16)6-12-11-3-2-4-13-15(11)9(7-17-13)5-14(12)18/h2-4,7,10,12,14,17H,5-6,8,16H2,1H3",C15H19N3,,,,,,KGUBZNRUCSWDAU-MPKXVKKWSA-N,,,,,,,,,,,
100.052.263,257-508-2,51908-46-4,1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]aziridine,"5-(aziridin-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine",CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CC3,CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CC3,"InChI=1/C14H16N2O2S/c1-15(2)13-7-3-6-12-11(13)5-4-8-14(12)19(17,18)16-9-10-16/h3-8H,9-10H2,1-2H3",C14H16N2O2S,,,,,,LSKWDEYBJACPBB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.268,257-514-5,51920-11-7,"4-[(4-chloro-2-methoxyphenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide","4-[(4-chloro-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide",Clc5ccc(N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2)c(OC)c5,Clc5ccc(N=Nc1c4ccccc4cc(c1O)C(=O)Nc2ccc3NC(=O)Nc3c2)c(OC)c5,"InChI=1/C25H18ClN5O4/c1-35-21-11-14(26)6-8-19(21)30-31-22-16-5-3-2-4-13(16)10-17(23(22)32)24(33)27-15-7-9-18-20(12-15)29-25(34)28-18/h2-12,32H,1H3,(H,27,33)(H2,28,29,34)",C25H18ClN5O4,,,,,,KNJBSTFQRPCFFP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.271,257-517-1,51929-55-6,3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulphonamide,3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide,CCN(c1ccccc1)S(=O)(=O)c2ccc(Oc3ccccc3)c(N)c2,CCN(c1ccccc1)S(=O)(=O)c2ccc(Oc3ccccc3)c(N)c2,"InChI=1/C20H20N2O3S/c1-2-22(16-9-5-3-6-10-16)26(23,24)18-13-14-20(19(21)15-18)25-17-11-7-4-8-12-17/h3-15H,2,21H2,1H3",C20H20N2O3S,,,,,,GHUSPTPILIZGPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.276,257-522-9,51931-66-9,Ethyl trans-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c2ccccc2,CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c2ccccc2,"InChI=1/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3",C17H23NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18526,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.276,WDEFBBTXULIOBB-DOTOQJQBSA-N,,,,,,,,,,,
100.054.169,259-606-0,55348-86-2,"11-formylundeca-4,8-dienoic acid","12-oxododeca-4,8-dienoic acid",OC(=O)CCC=CCCC=CCCC=O,OC(=O)CCC=CCCC=CCCC=O,"InChI=1/C12H18O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h3-6,11H,1-2,7-10H2,(H,14,15)",C12H18O3,,,,,,SSFYNRWKIMUJHG-UHFFFAOYSA-N,,,,,,,,,,,
100.054.175,259-612-3,55360-11-7,Allyl 2-chloropropionate,allyl 2-chloropropanoate,CC(Cl)C(=O)OCC=C,CC(Cl)C(=O)OCC=C,"InChI=1/C6H9ClO2/c1-3-4-9-6(8)5(2)7/h3,5H,1,4H2,2H3",C6H9ClO2,,,,,,FDCTVCOKDZZPRP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.672,259-058-2,54272-30-9,Trimethylamine sulphate,"N,N-dimethylmethanamine sulfate",CN(C)C.OS(=O)(=O)O,CN(C)C.OS(=O)(=O)O,"InChI=1/C3H9N.H2O4S/c1-4(2)3;1-5(2,3)4/h1-3H3;(H2,1,2,3,4)",C3H9N.xH2O4S,,,,,,KIUAERUGDCOOSB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.675,259-061-9,54283-76-0,[4-ammonio-2-hydroxyphenyl]ammonium sulphate,"2-hydroxybenzene-1,4-diaminium sulfate",[NH3+]c1ccc([NH3+])c(O)c1.[O-]S(=O)(=O)[O-],[NH3+]c1ccc([NH3+])c(O)c1.[O-]S(=O)(=O)[O-],"InChI=1/C6H8N2O.H2O4S/c7-4-1-2-5(8)6(9)3-4;1-5(2,3)4/h1-3,9H,7-8H2;(H2,1,2,3,4)",C6H8N2O.H2O4S,,,,,,MPMFUCQQUZSXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.677,259-064-5,54287-24-0,"2-(3,6-dihydroxyxanthen-9-yl)benzoic acid, sodium salt","3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",C20H12O5.xNa,,,,,,GNBHRKFJIUUOQI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.683,259-070-8,54290-64-1,"3,7-bis(diethylamino)phenoxazin-5-ium chloride, compound with zinc chloride","3,7-bis(diethylamino)phenoxazin-5-ium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,[Cl-].[Cl-].[Cl-].[Zn+2].CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,"InChI=1/C20H26N3O.3ClH.Zn/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;;/h9-14H,5-8H2,1-4H3;3*1H;/q+1;;;;+2/p-3",C20H26N3O.xCl2Zn.Cl,,,,,,QWROZACRIPOSPD-UHFFFAOYSA-K,,,,,,,,,,,
100.053.684,259-071-3,54291-12-2,"4-amino-3-[(4-aminophenyl)azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonic acid","4-amino-3-[(4-aminophenyl)diazenyl]-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccccc3)c4O)S(O)(=O)=O,Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccccc3)c4O)S(O)(=O)=O,"InChI=1/C22H18N6O7S2/c23-13-6-8-15(9-7-13)26-27-20-16(36(30,31)32)10-12-11-17(37(33,34)35)21(22(29)18(12)19(20)24)28-25-14-4-2-1-3-5-14/h1-11,29H,23-24H2,(H,30,31,32)(H,33,34,35)",C22H18N6O7S2,,,,,,GBUZSOVDCZSPKS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.685,259-072-9,54292-17-0,"N-[5-(diethylamino)-2-[(2-iodo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-(diethylamino)-2-[(2-iodo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",COc2cc(N=Nc1c(cc(cc1I)[N+]([O-])=O)[N+]([O-])=O)c(cc2N(CC)CC)NC(C)=O,COc2cc(N=Nc1c(cc(cc1I)[N+]([O-])=O)[N+]([O-])=O)c(cc2N(CC)CC)NC(C)=O,"InChI=1/C19H21IN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)",C19H21IN6O6,,,,,,LZPFRHJGJWYXNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.686,259-073-4,54292-18-1,"N-[5-(diethylamino)-2-[(2-iodo-4,6-dinitrophenyl)azo]phenyl]acetamide","N-{5-(diethylamino)-2-[(2-iodo-4,6-dinitrophenyl)diazenyl]phenyl}acetamide",[O-][N+](=O)c2cc(cc(I)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,[O-][N+](=O)c2cc(cc(I)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,"InChI=1/C18H19IN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)",C18H19IN6O5,,,,,,VCRDINZBONZRTI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.688,259-076-0,54300-08-2,"1-(3,5-dimethylpyrazinyl)ethan-1-one","1-(3,5-dimethylpyrazin-2-yl)ethanone",CC(=O)c1ncc(C)nc1C,CC(=O)c1ncc(C)nc1C,"InChI=1/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3",C8H10N2O,,,,,,UCGOSAWBWFUKDT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.693,259-081-8,54303-30-9,2-(ethylthio)ethylamine hydrochloride,2-(ethylsulfanyl)ethanamine hydrochloride,Cl.CCSCCN,Cl.CCSCCN,"InChI=1/C4H11NS.ClH/c1-2-6-4-3-5;/h2-5H2,1H3;1H",C4H11NS.ClH,,,,,,AZQOTRRSHMSXFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.694,259-082-3,54303-31-0,3-(2-methoxyethoxy)propylamine,3-(2-methoxyethoxy)propan-1-amine,COCCOCCCN,COCCOCCCN,"InChI=1/C6H15NO2/c1-8-5-6-9-4-2-3-7/h2-7H2,1H3",C6H15NO2,,,,,,PWGVOCGNHYMDLS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.695,259-083-9,54305-97-4,"1,1,3-triethoxyheptane","1,1,3-triethoxyheptane",CCCCC(CC(OCC)OCC)OCC,CCCCC(CC(OCC)OCC)OCC,"InChI=1/C13H28O3/c1-5-9-10-12(14-6-2)11-13(15-7-3)16-8-4/h12-13H,5-11H2,1-4H3",C13H28O3,,,,,,LGHYVXDAOJQRAV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.697,259-086-5,54306-00-2,"1,1-diethoxyhex-2-ene","1,1-diethoxyhex-2-ene",CCOC(C=CCCC)OCC,CCOC(C=CCCC)OCC,"InChI=1/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3",C10H20O2,,,,,,WMQKYHTZGYIHHD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.703,259-092-8,54321-79-8,"4-amino-3,5-dinitrobenzamide","4-amino-3,5-dinitrobenzamide",NC(=O)c1cc(c(N)c(c1)[N+](=O)[O-])[N+](=O)[O-],NC(=O)c1cc(c(N)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N4O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H,8H2,(H2,9,12)",C7H6N4O5,,,,,,BNVZFENSTYWDDB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.918,256-029-6,42972-25-8,"Tetrasodium 7,7'-[[6-(phenylamino)-1,3,5-triazine-2,4-diyl]diimino]bis[4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-1-sulphonate]","tetrasodium 7,7'-[(6-anilino-1,3,5-triazine-2,4-diyl)diimino]bis{4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-1-sulfonate}",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(OC)ccc8N=Nc2cc(c1cc(ccc1c2O)Nc4nc(nc(Nc3ccccc3)n4)Nc6cc7c(cc(N=Nc5ccc(OC)cc5S([O-])(=O)=O)c(O)c7cc6)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(OC)ccc8N=Nc2cc(c1cc(ccc1c2O)Nc4nc(nc(Nc3ccccc3)n4)Nc6cc7c(cc(N=Nc5ccc(OC)cc5S([O-])(=O)=O)c(O)c7cc6)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C43H34N10O16S4.4Na/c1-68-25-10-14-31(37(18-25)72(62,63)64)50-52-33-20-35(70(56,57)58)29-16-23(8-12-27(29)39(33)54)45-42-47-41(44-22-6-4-3-5-7-22)48-43(49-42)46-24-9-13-28-30(17-24)36(71(59,60)61)21-34(40(28)55)53-51-32-15-11-26(69-2)19-38(32)73(65,66)67;;;;/h3-21,54-55H,1-2H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H3,44,45,46,47,48,49);;;;/q;4*+1/p-4",C43H34N10O16S4.4Na,,,,,,LCVMEOAZQPQYKC-UHFFFAOYSA-J,,,,,,,,,,,
100.050.920,256-031-7,42977-21-9,"Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) disulphide","10,10'-disulfanediylbis(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane)",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H8F34S2/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-55-56-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2",C20H8F34S2,,,,,,PFSDZNASIFXROJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.939,256-052-1,43036-07-3,4-acetamidoanilinium chloride,4-acetamidoanilinium chloride,[Cl-].CC(=O)Nc1ccc([NH3+])cc1,[Cl-].CC(=O)Nc1ccc([NH3+])cc1,"InChI=1/C8H10N2O.ClH/c1-6(11)10-8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);1H",C8H10N2O.ClH,,,,,,JWCADJJPGAITCH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.339,258-692-7,53667-62-2,Methyl 11-(dichloromethylsilyl)undecanoate,methyl 11-[(dichloromethyl)silyl]undecanoate,COC(=O)CCCCCCCCCC[SiH2]C(Cl)Cl,COC(=O)CCCCCCCCCC[SiH2]C(Cl)Cl,"InChI=1/C13H26Cl2O2Si/c1-17-12(16)10-8-6-4-2-3-5-7-9-11-18-13(14)15/h13H,2-11,18H2,1H3",C13H26Cl2O2Si,,,,,,CRQPLYYZPBAKKB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.345,258-699-5,53683-41-3,2-(N-ethyl-4-formylanilino)ethyl benzoate,2-[ethyl(4-formylphenyl)amino]ethyl benzoate,CCN(CCOC(=O)c1ccccc1)c2ccc(C=O)cc2,CCN(CCOC(=O)c1ccccc1)c2ccc(C=O)cc2,"InChI=1/C18H19NO3/c1-2-19(17-10-8-15(14-20)9-11-17)12-13-22-18(21)16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3",C18H19NO3,,,,,,TYZURZJBRCXDGB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.349,258-704-0,53685-26-0,Sodium 2-amino-5-chlorobenzenesulphonate,sodium 2-amino-5-chlorobenzenesulfonate,[Na+].Nc1ccc(Cl)cc1S(=O)(=O)[O-],[Na+].Nc1ccc(Cl)cc1S(=O)(=O)[O-],"InChI=1/C6H6ClNO3S.Na/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,8H2,(H,9,10,11);/q;+1/p-1",C6H6ClNO3S.Na,,,,,,YLAXWZLLLKPTRC-UHFFFAOYSA-M,,,,,,,,,,,
100.053.354,258-709-8,53714-39-9,"2,2'-[sulphonylbis[(2,6-dibromo-4,1-phenylene)oxy]]bisethanol","2,2'-{sulfonylbis[(2,6-dibromo-4,1-phenylene)oxy]}diethanol",OCCOc1c(Br)cc(cc1Br)S(=O)(=O)c2cc(Br)c(OCCO)c(Br)c2,OCCOc1c(Br)cc(cc1Br)S(=O)(=O)c2cc(Br)c(OCCO)c(Br)c2,"InChI=1/C16H14Br4O6S/c17-11-5-9(6-12(18)15(11)25-3-1-21)27(23,24)10-7-13(19)16(14(20)8-10)26-4-2-22/h5-8,21-22H,1-4H2",C16H14Br4O6S,,,,,,OFBQIWFJRDGFEK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.356,258-711-9,53716-44-2,Rociverine,"2-(diethylamino)-1-methylethyl 1-hydroxy-1,1'-bi(cyclohexyl)-2-carboxylate",CCN(CC)CC(C)OC(=O)[C@@H]1CCCC[C@@]1(O)C2CCCCC2,CCN(CC)CC(C)OC(=O)[C@@H]1CCCC[C@@]1(O)C2CCCCC2,"InChI=1/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3",C20H37NO3,,,,,,XPYLKZZOBVLVHB-WVGSSIFTSA-N,,,,,,,,,,,
100.053.366,258-722-9,53718-34-6,"6'-(tert-butyl)-2',3'-dihydro-3',3'-dimethylspiro[cyclohexane-1,1'-[1H]indene]-5'-ol","6'-tert-butyl-3',3'-dimethyl-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-5'-ol",CC(C)(C)c1cc2c(cc1O)C(C)(C)CC23CCCCC3,CC(C)(C)c1cc2c(cc1O)C(C)(C)CC23CCCCC3,"InChI=1/C20H30O/c1-18(2,3)16-11-15-14(12-17(16)21)19(4,5)13-20(15)9-7-6-8-10-20/h11-12,21H,6-10,13H2,1-5H3",C20H30O,,,,,,CQDLYCCFORGHSV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.367,258-723-4,53718-35-7,"6-chloro-1,1,3,3-tetramethylindan-5-ol","6-chloro-1,1,3,3-tetramethylindan-5-ol",CC1(C)CC(C)(C)c2cc(Cl)c(O)cc12,CC1(C)CC(C)(C)c2cc(Cl)c(O)cc12,"InChI=1/C13H17ClO/c1-12(2)7-13(3,4)9-6-11(15)10(14)5-8(9)12/h5-6,15H,7H2,1-4H3",C13H17ClO,,,,,,PMWJZWDTSSMFEP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.370,258-727-6,53721-10-1,Copper(2+) methacrylate,copper(2+) bis(2-methylacrylate),[Cu+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Cu+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Cu/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Cu,,,,,,VZWHXRLOECMQDD-UHFFFAOYSA-L,,,,,,,,,,,
100.053.373,258-730-2,53732-41-5,"(4S,5S)-(-)-2-methyl-5-phenyl-2-oxazoline-4-methanol","(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CC1=N[C@@H](CO)[C@@H](O1)c2ccccc2,CC1=N[C@@H](CO)[C@@H](O1)c2ccccc2,"InChI=1/C11H13NO2/c1-8-12-10(7-13)11(14-8)9-5-3-2-4-6-9/h2-6,10-11,13H,7H2,1H3",C11H13NO2,,,,,,NTCJMVHDZUBYNA-QWRGUYRKSA-N,,,,,,,,,,,
100.051.879,257-085-4,51249-05-9,Dibutyl [1-(butylamino)cyclohexyl]phosphonate,dibutyl [1-(butylamino)cyclohexyl]phosphonate,CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC,CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC,"InChI=1/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3",C18H38NO3P,,,,,,NMBXMBCZBXUXAM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.882,257-089-6,51251-62-8,"1-(isopropyl)-N,N,2-trimethylcyclohexanecarboxamide","1-isopropyl-N,N,2-trimethylcyclohexanecarboxamide",CC(C)C1(CCCCC1C)C(=O)N(C)C,CC(C)C1(CCCCC1C)C(=O)N(C)C,"InChI=1/C13H25NO/c1-10(2)13(12(15)14(4)5)9-7-6-8-11(13)3/h10-11H,6-9H2,1-5H3",C14H27NO,,,,,,ZNXSLRIBKWBICP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.885,257-092-2,51259-83-7,"11-ß,21-dihydroxypregna-1,4,17(20)-trien-3-one","11,21-dihydroxypregna-1,4,17-trien-3-one",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC/C/2=C\\CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC/C/2=C\CO,"InChI=1/C21H28O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h7-9,11,16-19,22,24H,3-6,10,12H2,1-2H3",C21H28O3,,,,,,FIMYJWIQTVIDQB-QMERZLORSA-N,,,,,,,,,,,
100.051.888,257-095-9,51264-73-4,Ethyl 2-(4-formylphenoxy)propionate,ethyl 2-(4-formylphenoxy)propanoate,CCOC(=O)C(C)Oc1ccc(C=O)cc1,CCOC(=O)C(C)Oc1ccc(C=O)cc1,"InChI=1/C12H14O4/c1-3-15-12(14)9(2)16-11-6-4-10(8-13)5-7-11/h4-9H,3H2,1-2H3",C12H14O4,,,,,,LGKWYOQEGGBNPN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.891,257-099-0,51274-50-1,(hydroxymethyl)cyanamide,(hydroxymethyl)cyanamide,OCNC#N,OCNC#N,"InChI=1/C2H4N2O/c3-1-4-2-5/h4-5H,2H2",C2H4N2O,,,,,,OQLIEEINQMPPMB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.909,257-119-8,51300-04-0,"cis-(±)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxybenzo[a]quinolizin-2-one","3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one",CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O,CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O,"InChI=1/C17H23NO3/c1-4-11-10-18-6-5-12-7-16(20-2)17(21-3)8-13(12)14(18)9-15(11)19/h7-8,11,14H,4-6,9-10H2,1-3H3",C17H23NO3,,,,,,BOBCQOOZINHVMK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.912,257-122-4,51301-55-4,"Formic acid, compound with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)","formic acid - 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)",OC=O.C1CCN2CCCN=C2CC1,OC=O.C1CCN2CCCN=C2CC1,"InChI=1/C9H16N2.CH2O2/c1-2-5-9-10-6-4-8-11(9)7-3-1;2-1-3/h1-8H2;1H,(H,2,3)",C9H16N2.CH2O2,,,,,,FKPRQRCHWPBBBF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.918,257-129-2,51309-10-5,10-chlorodecan-1-ol,10-chlorodecan-1-ol,OCCCCCCCCCCCl,OCCCCCCCCCCCl,"InChI=1/C10H21ClO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2",C10H21ClO,,,,,,OTUSESJECXGMIV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.057,258-382-1,53131-20-7,"2,2,5,9-tetramethyldeca-4,8-dienal","2,2,5,9-tetramethyldeca-4,8-dienal",C/C(C)=C\\CCC(C)=CCC(C)(C)C=O,C/C(C)=C\CCC(C)=CCC(C)(C)C=O,"InChI=1/C14H24O/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15/h7,9,11H,6,8,10H2,1-5H3",C14H24O,,,,,,WNMULXZVYDQAHP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.058,258-383-7,53131-82-1,"N-(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)sulphanilic acid","4-[(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid",CC1=NNC(=S)N1Nc2ccc(cc2)S(=O)(=O)O,CC1=NNC(=S)N1Nc2ccc(cc2)S(=O)(=O)O,"InChI=1/C9H10N4O3S2/c1-6-10-11-9(17)13(6)12-7-2-4-8(5-3-7)18(14,15)16/h2-5,12H,1H3,(H,11,17)(H,14,15,16)",C9H10N4O3S2,,,,,,JBIWGBFDOSSLHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.062,258-387-9,53138-45-7,5-phenylfuran-2(5H)-one,5-phenylfuran-2(5H)-one,O=C1OC(C=C1)c2ccccc2,O=C1OC(C=C1)c2ccccc2,"InChI=1/C10H8O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7,9H",C10H8O2,,,,,,UXMKOLJFXKKWEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.076,258-402-9,53163-97-6,2-ethoxy-6-methylpyrazine,2-ethoxy-6-methylpyrazine,CCOc1cncc(C)n1,CCOc1cncc(C)n1,"InChI=1/C7H10N2O/c1-3-10-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3",C7H10N2O,,,,,,XBLZVFYOCZVABA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.081,258-408-1,53169-53-2,"Aluminium, compound with strontium (4:1)",aluminum - strontium (4:1),[AlH3].[AlH3].[AlH3].[AlH3].[SrH2],[AlH3].[AlH3].[AlH3].[AlH3].[SrH2],InChI=1/4Al.Sr.14H/q4*+3;+2;;;;;;;;;;;;;;/r4AlH3.H2Sr/h4*1H3;1H2/q4*+3;+2,Al.Sr,,,,,,XGXRMMWLOQTTCK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.086,258-413-9,53179-04-7,Undec-10-enonitrile,undec-10-enenitrile,C=CCCCCCCCCC#N,C=CCCCCCCCCC#N,"InChI=1/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-10H2",C11H19N,,,,,,NRZJSHMHHFWKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.093,258-421-2,53185-69-6,Heptanedial,pimelaldehyde,O=CCCCCCC=O,O=CCCCCCC=O,"InChI=1/C7H12O2/c8-6-4-2-1-3-5-7-9/h6-7H,1-5H2",C7H12O2,,,,,,OOLBRPUFHUSCOS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.095,258-423-3,53188-20-8,Ethyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate monohydrochloride,ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate hydrochloride,Cl.CCOC(=O)c1cncn1[C@H](C)c2ccccc2,Cl.CCOC(=O)c1cncn1[C@H](C)c2ccccc2,"InChI=1/C14H16N2O2.ClH/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12;/h4-11H,3H2,1-2H3;1H",C14H16N2O2.ClH,,,,,,NCDXBSVHIGDPOE-RFVHGSKJSA-N,,,,,,,,,,,
100.052.281,257-528-1,51937-18-9,"N,N'-bis(2,4,6-tribromophenyl)adipamide","N,N'-bis(2,4,6-tribromophenyl)hexanediamide",Brc1cc(Br)c(NC(=O)CCCCC(=O)Nc2c(Br)cc(Br)cc2Br)c(Br)c1,Brc1cc(Br)c(NC(=O)CCCCC(=O)Nc2c(Br)cc(Br)cc2Br)c(Br)c1,"InChI=1/C18H14Br6N2O2/c19-9-5-11(21)17(12(22)6-9)25-15(27)3-1-2-4-16(28)26-18-13(23)7-10(20)8-14(18)24/h5-8H,1-4H2,(H,25,27)(H,26,28)",C18H14Br6N2O2,,,,,,LOONXPZWUBCFHH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.283,257-530-2,51940-44-4,Pipemidic acid,"8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,"InChI=1/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)",C14H17N5O3,,,,,,JOHZPMXAZQZXHR-UHFFFAOYSA-N,Positive,mzcloud:1672,[M+H]+,HCD_Averaged,243.1240:233.0669:217.1084:189.0771:162.0662:148.0505:95.0239:121.0396:70.0651:68.0131,HighChem,,,,,
100.050.159,255-194-1,41052-75-9,o-chlorophenylhydrazine hydrochloride,(2-chlorophenyl)hydrazine hydrochloride,Cl.NNc1ccccc1Cl,Cl.NNc1ccccc1Cl,"InChI=1/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H",C6H7ClN2.ClH,,,,,,ADODRSVGNHNKAT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.164,255-199-9,41063-39-2,1-(dodecylamino)propan-2-ol,1-(dodecylamino)propan-2-ol,CCCCCCCCCCCCNCC(C)O,CCCCCCCCCCCCNCC(C)O,"InChI=1/C15H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)17/h15-17H,3-14H2,1-2H3",C15H33NO,,,,,,QZOMSYGNYBDMCH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.165,255-200-2,41066-08-4,"2,9-dimethyl-1,10-phenanthroline hydrochloride","2,9-dimethyl-1,10-phenanthroline hydrochloride",Cl.Cc1ccc2ccc3ccc(C)nc3c2n1,Cl.Cc1ccc2ccc3ccc(C)nc3c2n1,"InChI=1/C14H12N2.ClH/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H",C14H12N2.xClH,,,,,,QUGBNSJLQDNNPK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.169,255-204-4,41078-67-5,"3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one","3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=C(CCO)C(=O)N2C=CC=CC2=N1,CC1=C(CCO)C(=O)N2C=CC=CC2=N1,"InChI=1/C11H12N2O2/c1-8-9(5-7-14)11(15)13-6-3-2-4-10(13)12-8/h2-4,6,14H,5,7H2,1H3",C11H12N2O2,,,,,,JLSMWTJTTSMNRP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.173,255-209-1,41083-11-8,"1-(tricyclohexylstannyl)-1H-1,2,4-triazole","1-(tricyclohexylstannyl)-1H-1,2,4-triazole",C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)n4cncn4,C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)n4cncn4,"InChI=1/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1/rC20H35N3Sn/c1-4-10-18(11-5-1)24(23-17-21-16-22-23,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h16-20H,1-15H2",C20H35N3Sn,,,,,,ONHBDDJJTDTLIR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.174,255-210-7,41083-40-3,"4,5,6,7-tetrahydro-N,2-dimethyl-2H-indazol-3-amine maleate","N,2-dimethyl-4,5,6,7-tetrahydro-2H-indazol-3-amine but-2-enedioate",CNc1c2CCCCc2nn1C.OC(=O)\\C=C/C(=O)O,CNc1c2CCCCc2nn1C.OC(=O)\C=C/C(=O)O,"InChI=1/C9H15N3.C4H4O4/c1-10-9-7-5-3-4-6-8(7)11-12(9)2;5-3(6)1-2-4(7)8/h10H,3-6H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C9H15N3.xC4H4O4,,,,,,WBQNUTJPYOXRCC-BTJKTKAUSA-N,,,,,,,,,,,
100.050.177,255-213-3,41092-37-9,"21-[(2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl)oxy]pregn-4-ene-3,20-dione","3,20-dioxopregn-4-en-21-yl 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranoside",CC(=O)OC[C@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C35H48O12/c1-18(36)42-17-29-30(44-19(2)37)31(45-20(3)38)32(46-21(4)39)33(47-29)43-16-28(41)27-10-9-25-24-8-7-22-15-23(40)11-13-34(22,5)26(24)12-14-35(25,27)6/h15,24-27,29-33H,7-14,16-17H2,1-6H3",C35H48O12,,,,,,PUCKSOHSQOODDS-QQHFTRTASA-N,,,,,,,,,,,
100.050.187,255-224-3,41115-23-5,"N-ethyl-2,3-xylidine","N-ethyl-2,3-dimethylaniline",CCNc1cccc(C)c1C,CCNc1cccc(C)c1C,"InChI=1/C10H15N/c1-4-11-10-7-5-6-8(2)9(10)3/h5-7,11H,4H2,1-3H3",C10H15N,,,,,,IILPUHXLVPEPAV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.190,255-228-5,41122-70-7,"4'-hexyl[1,1'-biphenyl]-4-carbonitrile",4'-hexylbiphenyl-4-carbonitrile,CCCCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3",C19H21N,,,,,,VADSDVGLFDVIMG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.193,255-231-1,41123-59-5,"1,1-bis(2-chloroethylsulphonyl)methane",1-chloro-2-({[(2-chloroethyl)sulfonyl]methyl}sulfonyl)ethane,ClCCS(=O)(=O)CS(=O)(=O)CCCl,ClCCS(=O)(=O)CS(=O)(=O)CCCl,"InChI=1/C5H10Cl2O4S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h1-5H2",C5H10Cl2O4S2,,,,,,CJUSGQJXURKKBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.195,255-233-2,41130-29-4,Oleylamine hydrochloride,octadec-9-en-1-amine hydrochloride,Cl.CCCCCCCC\\C=C/CCCCCCCCN,Cl.CCCCCCCC\C=C/CCCCCCCCN,"InChI=1/C18H37N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-19H2,1H3;1H",C18H37N.ClH,,,,,,LPJKDVHMUUZHRY-KVVVOXFISA-N,,,,,,,,,,,
100.050.196,255-234-8,41130-39-6,"N,N'-di-o-tolylguanidine monohydrochloride","1,3-bis(2-methylphenyl)guanidine hydrochloride",Cl.Cc1ccccc1NC(=N)Nc2ccccc2C,Cl.Cc1ccccc1NC(=N)Nc2ccccc2C,"InChI=1/C15H17N3.ClH/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H3,16,17,18);1H",C15H17N3.ClH,,,,,,NGAVOMFJBBCAMN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.709,259-099-6,54322-81-5,2-(3-phenylpropylidene)cyclopentan-1-one,2-(3-phenylpropylidene)cyclopentanone,O=C2CCCC2=CCCc1ccccc1,O=C2CCCC2=CCCc1ccccc1,"InChI=1/C14H16O/c15-14-11-5-10-13(14)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,9H,4-5,8,10-11H2",C14H16O,,,,,,IWPCQYNYKGMVEC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.710,259-101-5,54323-26-1,(4-methyl-3-pentenyl)cyclohexenecarbaldehyde,2-(4-methylpent-3-en-1-yl)cyclohex-1-ene-1-carbaldehyde,CC(=CCCC1=C(CCCC1)C=O)C,CC(=CCCC1=C(CCCC1)C=O)C,"InChI=1/C13H20O/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h6,10H,3-5,7-9H2,1-2H3",C13H20O,,,,,,ZJZOLSQPHYEYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.711,259-102-0,54323-50-1,(R)-3-acetylthiazolidine-4-carboxylic acid,"3-acetyl-1,3-thiazolidine-4-carboxylic acid",CC(=O)N1CSC[C@H]1C(=O)O,CC(=O)N1CSC[C@H]1C(=O)O,"InChI=1/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)",C6H9NO3S,,,,,,WXTBYSIPOKXCPM-YFKPBYRVSA-N,,,,,,,,,,,
100.053.715,259-106-2,54326-16-8,5-chloro-1H-pyrimidin-2-one,5-chloropyrimidin-2(1H)-one,ClC1=CNC(=O)N=C1,ClC1=CNC(=O)N=C1,"InChI=1/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)",C4H3ClN2O,,,,,,OCSYCDVQABSEPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.766,254-762-6,40034-46-6,"Ethyl 1-ethyl-1,4-dihydro-4-oxo-7-(4-pyridyl)quinoline-3-carboxylate","ethyl 1-ethyl-4-oxo-7-pyridin-4-yl-1,4-dihydroquinoline-3-carboxylate",CCOC(=O)C1=CN(CC)c2cc(ccc2C1=O)c3ccncc3,CCOC(=O)C1=CN(CC)c2cc(ccc2C1=O)c3ccncc3,"InChI=1/C19H18N2O3/c1-3-21-12-16(19(23)24-4-2)18(22)15-6-5-14(11-17(15)21)13-7-9-20-10-8-13/h5-12H,3-4H2,1-2H3",C19H18N2O3,,,,,,OHZAFYAURIOSNE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.767,254-763-1,40034-49-9,"Ethyl 7-(2,6-dimethyl-4-pyridyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate","ethyl 7-(2,6-dimethylpyridin-4-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate",CCOC(=O)C1=CNc2cc(ccc2C1=O)c3cc(C)nc(C)c3,CCOC(=O)C1=CNc2cc(ccc2C1=O)c3cc(C)nc(C)c3,"InChI=1/C19H18N2O3/c1-4-24-19(23)16-10-20-17-9-13(5-6-15(17)18(16)22)14-7-11(2)21-12(3)8-14/h5-10H,4H2,1-3H3,(H,20,22)",C19H18N2O3,,,,,,YZZRTZDYWJVJCL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.772,254-768-9,40034-74-0,"Ethyl 7-(2,6-dimethyl-4-pyridyl)-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylate","ethyl 7-(2,6-dimethylpyridin-4-yl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate",CCOC(=O)C1=CN(CC)c2cc(ccc2C1=O)c3cc(C)nc(C)c3,CCOC(=O)C1=CN(CC)c2cc(ccc2C1=O)c3cc(C)nc(C)c3,"InChI=1/C21H22N2O3/c1-5-23-12-18(21(25)26-6-2)20(24)17-8-7-15(11-19(17)23)16-9-13(3)22-14(4)10-16/h7-12H,5-6H2,1-4H3",C21H22N2O3,,,,,,COLYZJTVSVOCJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.778,254-775-7,40051-12-5,"10-(3-chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulphonamide","10-(3-chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulfonamide",CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCCl)c2c1,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCCl)c2c1,"InChI=1/C17H19ClN2O2S2/c1-19(2)24(21,22)13-8-9-17-15(12-13)20(11-5-10-18)14-6-3-4-7-16(14)23-17/h3-4,6-9,12H,5,10-11H2,1-2H3",C17H19ClN2O2S2,,,,,,GMLLYAUDSWWMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.781,254-778-3,40061-55-0,Ethyl m-tolylacetate,ethyl (3-methylphenyl)acetate,CCOC(=O)Cc1cccc(C)c1,CCOC(=O)Cc1cccc(C)c1,"InChI=1/C11H14O2/c1-3-13-11(12)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3",C11H14O2,,,,,,RVIWPVAVHHVQIR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.787,254-785-1,40076-53-7,"3,4-dimethylpent-1-en-3-ol","3,4-dimethylpent-1-en-3-ol",CC(C)C(C)(O)C=C,CC(C)C(C)(O)C=C,"InChI=1/C7H14O/c1-5-7(4,8)6(2)3/h5-6,8H,1H2,2-4H3",C7H14O,,,,,,PGFSFOKKOCLHFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.804,254-803-8,40131-09-7,Diethyl methoxymethylenemalonate,diethyl (methoxymethylene)malonate,CCOC(=O)C(=COC)C(=O)OCC,CCOC(=O)C(=COC)C(=O)OCC,"InChI=1/C9H14O5/c1-4-13-8(10)7(6-12-3)9(11)14-5-2/h6H,4-5H2,1-3H3",C9H14O5,,,,,,LQAWZEZWVLAIHL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.811,254-811-1,40139-96-6,1-[2-(methacryloyloxy)-1-methylethyl] hydrogen sulphophthalate,2-{[2-(methacryloyloxy)-1-methylethoxy]carbonyl}-6-sulfobenzoic acid,CC(COC(=O)C(=C)C)OC(=O)c1cccc(c1C(=O)O)S(=O)(=O)O,CC(COC(=O)C(=C)C)OC(=O)c1cccc(c1C(=O)O)S(=O)(=O)O,"InChI=1/C15H16O9S/c1-8(2)14(18)23-7-9(3)24-15(19)10-5-4-6-11(25(20,21)22)12(10)13(16)17/h4-6,9H,1,7H2,2-3H3,(H,16,17)(H,20,21,22)",C15H16O9S,,,,,,WYCPESNTKVDAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.813,254-813-2,40149-67-5,Dimethyl DL-aspartate,dimethyl L-aspartate,COC(=O)C[C@H](N)C(=O)OC,COC(=O)C[C@H](N)C(=O)OC,"InChI=1/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3",C6H11NO4,,,,,,BYHXBBOSJKPUJL-BYPYZUCNSA-N,,,,,,,,,,,
100.049.824,254-825-8,40180-03-8,"2,3-dichloro-4-hydroxyphenyl 2-thienyl ketone","(2,3-dichloro-4-hydroxyphenyl)(2-thienyl)methanone",Oc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,Oc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,"InChI=1/C11H6Cl2O2S/c12-9-6(3-4-7(14)10(9)13)11(15)8-2-1-5-16-8/h1-5,14H",C11H6Cl2O2S,,,,,,PPDIALCNVFLTST-UHFFFAOYSA-N,,,,,,,,,,,
100.049.826,254-827-9,40182-09-0,N-methyl-2-phenoxybenzenesulphonamide,N-methyl-2-phenoxybenzenesulfonamide,CNS(=O)(=O)c1ccccc1Oc2ccccc2,CNS(=O)(=O)c1ccccc1Oc2ccccc2,"InChI=1/C13H13NO3S/c1-14-18(15,16)13-10-6-5-9-12(13)17-11-7-3-2-4-8-11/h2-10,14H,1H3",C13H13NO3S,,,,,,ATLFCDGWDOSGPN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.374,258-731-8,53733-94-1,Methyl N-(3-methoxy-3-oxopropyl)-N-phenyl-ß-alaninate,"dimethyl 3,3'-(phenylimino)dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)c1ccccc1,COC(=O)CCN(CCC(=O)OC)c1ccccc1,"InChI=1/C14H19NO4/c1-18-13(16)8-10-15(11-9-14(17)19-2)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3",C14H19NO4,,,,,,NQMXUYSFHRWLLV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.250,253-092-1,36536-42-2,"Bis[OO,OO'-tert-butyl] O,O'-hexane-1,6-diyl bis[peroxycarbonate]","1,6-bis{[(tert-butylperoxy)carbonyl]oxy}hexane",CC(C)(C)OOC(=O)OCCCCCCOC(=O)OOC(C)(C)C,CC(C)(C)OOC(=O)OCCCCCCOC(=O)OOC(C)(C)C,"InChI=1/C16H30O8/c1-15(2,3)23-21-13(17)19-11-9-7-8-10-12-20-14(18)22-24-16(4,5)6/h7-12H2,1-6H3",C16H30O8,,,,,,FRBAZRWGNOJHRO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.252,253-094-2,36542-71-9,[[(dibromo-o-tolyl)oxy]methyl]oxirane,"2-[(3,4-dibromo-2-methylphenoxy)methyl]oxirane",Cc1c(Br)c(Br)ccc1OCC2CO2,Cc1c(Br)c(Br)ccc1OCC2CO2,"InChI=1/C10H10Br2O2/c1-6-9(14-5-7-4-13-7)3-2-8(11)10(6)12/h2-3,7H,4-5H2,1H3",C10H10Br2O2,,,,,,CUFZQQZUROXYRX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.254,253-096-3,36550-26-2,Dihydrogen hexachloropalladate(2-),hexachloropalladate(2-),Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Pd/h6*1H;/q;;;;;;+4/p-6/rCl6Pd/c1-7(2,3,4,5)6/q-2",Cl6Pd.2H,,,,,,QVWOZVFUGLNYKZ-UHFFFAOYSA-H,,,,,,,,,,,
100.048.256,253-098-4,36556-06-6,"5,6,7,8-tetrahydroisoquinoline","5,6,7,8-tetrahydroisoquinoline",C1CCc2cnccc2C1,C1CCc2cnccc2C1,"InChI=1/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2",C9H11N,,,,,,HTMGQIXFZMZZKD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.258,253-101-9,36556-59-9,"2-chloro-1,5-difluoro-3-nitrobenzene","2-chloro-1,5-difluoro-3-nitrobenzene",[O-][N+](=O)c1cc(F)cc(F)c1Cl,[O-][N+](=O)c1cc(F)cc(F)c1Cl,InChI=1/C6H2ClF2NO2/c7-6-4(9)1-3(8)2-5(6)10(11)12/h1-2H,C6H2ClF2NO2,,,,,,RUWWVEDLBSUWIX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.259,253-102-4,36557-18-3,Hexestrol dibutyrate,"hexane-3,4-diyldi-4,1-phenylene dibutanoate",CCCC(=O)Oc1ccc(cc1)[C@H](CC)[C@H](CC)c2ccc(OC(=O)CCC)cc2,CCCC(=O)Oc1ccc(cc1)[C@H](CC)[C@H](CC)c2ccc(OC(=O)CCC)cc2,"InChI=1/C26H34O4/c1-5-9-25(27)29-21-15-11-19(12-16-21)23(7-3)24(8-4)20-13-17-22(18-14-20)30-26(28)10-6-2/h11-18,23-24H,5-10H2,1-4H3",C26H34O4,,,,,,JTBPVVVYALFNNO-PSWAGMNNSA-N,,,,,,,,,,,
100.047.887,252-692-0,35720-57-1,Cyclopentadec-4-en-1-one,cyclopentadec-4-en-1-one,O=C1CCCCCCCCCC\\C=C/CC1,O=C1CCCCCCCCCC\C=C/CC1,"InChI=1/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h7,9H,1-6,8,10-14H2",C15H26O,,,,,,JIYIHILAGIZIMD-CLFYSBASSA-N,,,,,,,,,,,
100.047.888,252-693-6,35723-81-0,Isotridecylamine,11-methyldodecan-1-amine,CC(C)CCCCCCCCCCN,CC(C)CCCCCCCCCCN,"InChI=1/C13H29N/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13H,3-12,14H2,1-2H3",C13H29N,,,,,,NGKIIKNJVVBNNE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.897,252-702-3,35732-37-7,"(1a,3a,4a,5a)-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-ol",1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol,CC(C)[C@]12C[C@H](O)[C@H](C)[C@H]1C2,CC(C)[C@]12C[C@H](O)[C@H](C)[C@H]1C2,"InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,DZVXRFMREAADPP-IMSYWVGJSA-N,,,,,,,,,,,
100.047.899,252-704-4,35733-58-5,Tetrabutylammonium formate,"N,N,N-tributylbutan-1-aminium formate",CCCC[N+](CCCC)(CCCC)CCCC.[O-]C=O,CCCC[N+](CCCC)(CCCC)CCCC.[O-]C=O,"InChI=1/C16H36N.CH2O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;1H,(H,2,3)/q+1;/p-1",C16H36N.CHO2,,,,,,SNMZANHSFVMKKA-UHFFFAOYSA-M,,,,,,,,,,,
100.047.903,252-709-1,35745-35-8,Iodoanisole,1-iodo-2-methoxybenzene,COc1ccccc1I,COc1ccccc1I,"InChI=1/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",C7H7IO,,,,,,DVQWNQBEUKXONL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.904,252-710-7,35746-21-5,(E)-tetradec-11-enal,tetradec-11-enal,CC\\C=C\\CCCCCCCCCC=O,CC\C=C\CCCCCCCCCC=O,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,14H,2,5-13H2,1H3",C14H26O,,,,,,SPFYVVCZIOLVOK-ONEGZZNKSA-N,,,,,,,,,,,
100.047.906,252-712-8,35754-82-6,Magnesium dipropanolate,magnesium dipropan-1-olate,[Mg+2].CCC[O-].CCC[O-],[Mg+2].CCC[O-].CCC[O-],"InChI=1/2C3H7O.Mg/c2*1-2-3-4;/h2*2-3H2,1H3;/q2*-1;+2",C3H8O.1/2Mg,,,,,,WNJYXPXGUGOGBO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.909,252-715-4,35764-15-9,2-bromo-4-(trifluoromethyl)benzonitrile,2-bromo-4-(trifluoromethyl)benzonitrile,FC(F)(F)c1ccc(C#N)c(Br)c1,FC(F)(F)c1ccc(C#N)c(Br)c1,"InChI=1/C8H3BrF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H",C8H3BrF3N,,,,,,YQDJZASWOJHHGY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.915,252-722-2,35773-43-4,3-(5-chlorobenzoxazol-2-yl)-7-(diethylamino)-2-benzopyrone,"3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)-2H-chromen-2-one",CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(Cl)cc4n3,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(Cl)cc4n3,"InChI=1/C20H17ClN2O3/c1-3-23(4-2)14-7-5-12-9-15(20(24)26-18(12)11-14)19-22-16-10-13(21)6-8-17(16)25-19/h5-11H,3-4H2,1-2H3",C20H17ClN2O3,,,,,,CBNSBRVOBGWOBM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.097,258-425-4,53201-66-4,N-[3-(dimethylamino)propyl]propionamide,N-[3-(dimethylamino)propyl]propanamide,CCC(=O)NCCCN(C)C,CCC(=O)NCCCN(C)C,"InChI=1/C8H18N2O/c1-4-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)",C8H18N2O,,,,,,LPRTUAMEQDRMAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.098,258-427-5,53201-67-5,N-[3-(dimethylamino)propyl]butyramide,N-[3-(dimethylamino)propyl]butanamide,CCCC(=O)NCCCN(C)C,CCCC(=O)NCCCN(C)C,"InChI=1/C9H20N2O/c1-4-6-9(12)10-7-5-8-11(2)3/h4-8H2,1-3H3,(H,10,12)",C9H20N2O,,,,,,AOVABFFPPHZBST-UHFFFAOYSA-N,,,,,,,,,,,
100.053.099,258-428-0,53202-61-2,"2-ethylhexyl 5,5-dibutyl-12-ethyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate","2-ethylhexyl 5,5-dibutyl-12-ethyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecan-1-oate",CCCCC(CC)COC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCC(CC)CCCC,"InChI=1/2C11H22O2S.2C4H9.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;2*1-3-4-2;/h2*10,14H,3-9H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC30H60O4S2Sn/c1-7-13-17-27(11-5)25-33-29(31)19-21-35-37(23-15-9-3,24-16-10-4)36-22-20-30(32)34-26-28(12-6)18-14-8-2/h27-28H,7-26H2,1-6H3",C30H60O4S2Sn,,,,,,RFPITRAFRHNSRB-UHFFFAOYSA-L,,,,,,,,,,,
100.050.666,255-751-9,42288-75-5,Cyclohexyl phenylacetate,cyclohexyl phenylacetate,O=C(Cc1ccccc1)OC2CCCCC2,O=C(Cc1ccccc1)OC2CCCCC2,"InChI=1/C14H18O2/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2",C14H18O2,,,,,,MNEAZOGMEQUJER-UHFFFAOYSA-N,,,,,,,,,,,
100.050.672,255-758-7,42324-04-9,8-[(dihydroxybismuthino)oxy]quinoline,8-[(dihydroxybismuthino)oxy]quinoline,O[Bi](O)Oc1cccc2cccnc12,O[Bi](O)Oc1cccc2cccnc12,"InChI=1/C9H7NO.Bi.2H2O/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-6,11H;;2*1H2/q;+3;;/p-3/rC9H8BiNO3/c12-10(13)14-8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-13H",C9H8BiNO3,,,,,,GWFYAZCAMGDEEC-UHFFFAOYSA-K,,,,,,,,,,,
100.050.677,255-763-4,42345-73-3,"4-[[3-(trimethoxysilyl)propoxy]methyl]-1,3-dioxolan-2-one","4-{[3-(trimethoxysilyl)propoxy]methyl}-1,3-dioxolan-2-one",CO[Si](CCCOCC1COC(=O)O1)(OC)OC,CO[Si](CCCOCC1COC(=O)O1)(OC)OC,"InChI=1/C10H20O7Si/c1-12-18(13-2,14-3)6-4-5-15-7-9-8-16-10(11)17-9/h9H,4-8H2,1-3H3",C10H20O7Si,,,,,,MICBKZBCSXKCMF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.679,255-766-0,42347-74-0,2-ethyl-3-methylvaleraldehyde,2-ethyl-3-methylpentanal,CCC(C)C(CC)C=O,CCC(C)C(CC)C=O,"InChI=1/C8H16O/c1-4-7(3)8(5-2)6-9/h6-8H,4-5H2,1-3H3",C8H16O,,,,,,FBQWJRWQCDONFI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.680,255-767-6,42348-12-9,3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one,3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one,CCC1=C(O)C(=O)CC1C,CCC1=C(O)C(=O)CC1C,"InChI=1/C8H12O2/c1-3-6-5(2)4-7(9)8(6)10/h5,10H,3-4H2,1-2H3",C8H12O2,,,,,,RSVAFMGHIDKYKB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.685,255-772-3,42358-38-3,"5-[(3-chlorophenyl)azo]-6-hydroxy-2-(3-methoxypropyl)-1H-benz[de]isoquinoline-1,3(2H)-dione","5-[(3-chlorophenyl)diazenyl]-6-hydroxy-2-(3-methoxypropyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione",Clc1cccc(c1)N=Nc2cc3C(=O)N(CCCOC)C(=O)c4cccc(c2O)c34,Clc1cccc(c1)N=Nc2cc3C(=O)N(CCCOC)C(=O)c4cccc(c2O)c34,"InChI=1/C22H18ClN3O4/c1-30-10-4-9-26-21(28)16-8-3-7-15-19(16)17(22(26)29)12-18(20(15)27)25-24-14-6-2-5-13(23)11-14/h2-3,5-8,11-12,27H,4,9-10H2,1H3",C22H18ClN3O4,,,,,,KTPCHCSTIGKKSD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.686,255-773-9,42358-39-4,"5-[(4-chlorophenyl)azo]-6-hydroxy-2-(3-methoxypropyl)-1H-benz[de]isoquinoline-1,3(2H)-dione","5-[(4-chlorophenyl)diazenyl]-6-hydroxy-2-(3-methoxypropyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione",Clc1ccc(cc1)N=Nc2cc3C(=O)N(CCCOC)C(=O)c4cccc(c2O)c34,Clc1ccc(cc1)N=Nc2cc3C(=O)N(CCCOC)C(=O)c4cccc(c2O)c34,"InChI=1/C22H18ClN3O4/c1-30-11-3-10-26-21(28)16-5-2-4-15-19(16)17(22(26)29)12-18(20(15)27)25-24-14-8-6-13(23)7-9-14/h2,4-9,12,27H,3,10-11H2,1H3",C22H18ClN3O4,,,,,,ABVXLHURFQNCLR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.688,255-776-5,42360-29-2,Sodium 2-acetamido-5-hydroxynaphthalene-7-sulphonate,sodium 7-acetamido-4-hydroxynaphthalene-2-sulfonate,[Na+].CC(=O)Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)[O-],[Na+].CC(=O)Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)[O-],"InChI=1/C12H11NO5S.Na/c1-7(14)13-9-2-3-11-8(4-9)5-10(6-12(11)15)19(16,17)18;/h2-6,15H,1H3,(H,13,14)(H,16,17,18);/q;+1/p-1",C12H11NO5S.Na,,,,,,ZTPFCTXEVJLMHG-UHFFFAOYSA-M,,,,,,,,,,,
100.050.689,255-777-0,42365-45-7,o-iodobenzylamine hydrochloride,1-(2-iodophenyl)methanamine hydrochloride,Cl.NCc1ccccc1I,Cl.NCc1ccccc1I,"InChI=1/C7H8IN.ClH/c8-7-4-2-1-3-6(7)5-9;/h1-4H,5,9H2;1H",C7H8IN.ClH,,,,,,GAEPVUMSCPGMFX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.692,255-780-7,42370-41-2,"trans-5-hydroxy-a,a,4-trimethylcyclohex-3-ene-1-methanol",5-(1-hydroxy-1-methylethyl)-2-methylcyclohex-2-en-1-ol,CC1=CC[C@H](C[C@@H]1O)C(C)(C)O,CC1=CC[C@H](C[C@@H]1O)C(C)(C)O,"InChI=1/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3",C10H18O2,,,,,,OMDMTHRBGUBUCO-BDAKNGLRSA-N,,,,,,,,,,,
100.050.693,255-781-2,42372-00-9,"4-[(dimethylamino)methyl]-2,5-dimethylphenol hydrochloride","4-[(dimethylamino)methyl]-2,5-dimethylphenol hydrochloride",Cl.CN(C)Cc1cc(C)c(O)cc1C,Cl.CN(C)Cc1cc(C)c(O)cc1C,"InChI=1/C11H17NO.ClH/c1-8-6-11(13)9(2)5-10(8)7-12(3)4;/h5-6,13H,7H2,1-4H3;1H",C11H17NO.ClH,,,,,,MQWJOFTUFWVKJU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.200,255-239-5,41137-60-4,"7,7,9-trimethyl-4,13-dioxo-3,14-dioxa-5,12-diazahexadecane-1,16-diyl bismethacrylate","7,7,9,19-tetramethyl-4,13,18-trioxo-3,14,17-trioxa-5,12-diazaicos-19-en-1-yl methacrylate",CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C,CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C,"InChI=1/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)",C23H38N2O8,,,,,,UEKHZPDUBLCUHN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.969,257-185-8,51414-21-2,4-(dimethoxymethyl)-1-(4-methylpent-3-enyl)cyclohexene,4-(dimethoxymethyl)-1-(4-methylpent-3-en-1-yl)cyclohexene,COC(OC)C1CCC(=CC1)CCC=C(C)C,COC(OC)C1CCC(=CC1)CCC=C(C)C,"InChI=1/C15H26O2/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(16-3)17-4/h6,8,14-15H,5,7,9-11H2,1-4H3",C15H26O2,,,,,,LBJUSIRUXGRPHM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.971,257-187-9,51414-25-6,3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,CC(C)(O)CCCC1=CCCC(C1)C=O,CC(C)(O)CCCC1=CCCC(C1)C=O,"InChI=1/C13H22O2/c1-13(2,15)8-4-7-11-5-3-6-12(9-11)10-14/h5,10,12,15H,3-4,6-9H2,1-2H3",C13H22O2,,,,,,OLXLPKQCGWYRFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.973,257-190-5,51418-88-3,"1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CCCCC(CC)CN1C(=CC(=C(C#N)C1=O)C)O,CCCCC(CC)CN1C(=CC(=C(C#N)C1=O)C)O,"InChI=1/C15H22N2O2/c1-4-6-7-12(5-2)10-17-14(18)8-11(3)13(9-16)15(17)19/h8,12,18H,4-7,10H2,1-3H3",C15H22N2O2,,,,,,XPZDQTNHPYEIQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.979,257-196-8,51422-54-9,2-(2-ethoxyethoxy)-2-methylpropane,2-(2-ethoxyethoxy)-2-methylpropane,CCOCCOC(C)(C)C,CCOCCOC(C)(C)C,"InChI=1/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3",C8H18O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16302,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.979,NUNQKTCKURIZQX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.987,257-205-5,51439-58-8,2-methoxynaphthalene-1-carbonyl chloride,2-methoxy-1-naphthoyl chloride,COc1ccc2ccccc2c1C(=O)Cl,COc1ccc2ccccc2c1C(=O)Cl,"InChI=1/C12H9ClO2/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3",C12H9ClO2,,,,,,SXPBNKRSGVLWJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.994,257-212-3,51446-59-4,"[1S-(1a,2ß,5a)]-5-(isopropyl)-2-methylcyclohexyl acetate",5-isopropyl-2-methylcyclohexyl acetate,CC(C)C1CCC(C)C(C1)OC(=O)C,CC(C)C1CCC(C)C(C1)OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,JAKFDYGDDRCJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.752,259-147-6,54398-08-2,2-[2-(2-methoxymethylethoxy)methylethoxy]methylethyl acrylate,3-[3-(3-methoxypropoxy)propoxy]propyl acrylate,COCCCOCCCOCCCOC(=O)C=C,COCCCOCCCOCCCOC(=O)C=C,"InChI=1/C13H24O5/c1-3-13(14)18-12-6-11-17-10-5-9-16-8-4-7-15-2/h3H,1,4-12H2,2H3",C13H24O5,,,,,,ORIJKRXMXFORNS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.753,259-148-1,54398-65-1,a-cyclopropyl-4-methoxybenzylamine,1-cyclopropyl-1-(4-methoxyphenyl)methanamine,COc1ccc(cc1)C(N)C2CC2,COc1ccc(cc1)C(N)C2CC2,"InChI=1/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3",C11H15NO,,,,,,IVVASFZJFLBRPG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.942,253-855-9,38260-54-7,"O-6-ethoxy-2-ethylpyrimidin-4-yl O,O-dimethylphosphorothioate","O-(6-ethoxy-2-ethylpyrimidin-4-yl) O,O-dimethyl thiophosphate",CCOc1cc(OP(=S)(OC)OC)nc(CC)n1,CCOc1cc(OP(=S)(OC)OC)nc(CC)n1,"InChI=1/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3",C10H17N2O4PS,,,,,,FGIWFCGDPUIBEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.945,253-859-0,38284-26-3,"10,10-dimethyl-2,6-bis(methylene)bicyclo[7.2.0]undecan-5-ol","10,10-dimethyl-2,6-bis(methylene)bicyclo[7.2.0]undecan-5-ol",CC1(C)CC2C1CCC(=C)C(O)CCC2=C,CC1(C)CC2C1CCC(=C)C(O)CCC2=C,"InChI=1/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3",C15H24O,,,,,,CIIYOYPOMGIECX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.952,253-866-9,38299-08-0,"Sodium [1,2,4]triazolo[1,5-a]pyrimidin-7-ol",-,[Na+].Oc1ccnc2ncnn12,[Na+].Oc1ccnc2ncnn12,"InChI=1/C5H4N4O.Na/c10-4-1-2-6-5-7-3-8-9(4)5;/h1-3,10H;/q;+1",C6H6N4O.Na,,,,,,NWXHLSYKDIMNJC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.953,253-867-4,38301-46-1,"[2S-(1a,2a,4a,6a)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane","2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane",CC1(C)C2CC3OC3(C)C1C2,CC1(C)C2CC3OC3(C)C1C2,"InChI=1/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,NQFUSWIGRKFAHK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.955,253-870-0,38303-36-5,"1,3,6-tribromopyrene","1,3,6-tribromopyrene",Brc1ccc2ccc3c(Br)cc(Br)c4ccc1c2c34,Brc1ccc2ccc3c(Br)cc(Br)c4ccc1c2c34,InChI=1/C16H7Br3/c17-12-6-2-8-1-3-10-13(18)7-14(19)11-5-4-9(12)15(8)16(10)11/h1-7H,C16H7Br3,,,,,,XVBALZHPIPCRKD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.962,253-877-9,38316-05-1,4-methoxy-a-(nitromethyl)benzyl alcohol,1-(4-methoxyphenyl)-2-nitroethanol,COc1ccc(cc1)C(O)C[N+](=O)[O-],COc1ccc(cc1)C(O)C[N+](=O)[O-],"InChI=1/C9H11NO4/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9,11H,6H2,1H3",C9H11NO4,,,,,,KLESIDDCPSMIRB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.827,254-828-4,40184-38-1,2-(4-aminophenoxy)ethyl hydrogen sulphate,2-(4-aminophenoxy)ethyl hydrogen sulfate,Nc1ccc(OCCOS(=O)(=O)O)cc1,Nc1ccc(OCCOS(=O)(=O)O)cc1,"InChI=1/C8H11NO5S/c9-7-1-3-8(4-2-7)13-5-6-14-15(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)",C8H11NO5S,,,,,,JRJFJFUPGABGSY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.828,254-830-5,40187-51-7,5-acetylsalicylamide,5-acetyl-2-hydroxybenzamide,CC(=O)c1ccc(O)c(c1)C(=O)N,CC(=O)c1ccc(O)c(c1)C(=O)N,"InChI=1/C9H9NO3/c1-5(11)6-2-3-8(12)7(4-6)9(10)13/h2-4,12H,1H3,(H2,10,13)",C9H9NO3,,,,,,LWAQTCWTCCNHJR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.830,254-832-6,40188-83-8,"Methyl 3,6-dichloro-2-nitrobenzoate","methyl 3,6-dichloro-2-nitrobenzoate",COC(=O)c1c(Cl)ccc(Cl)c1[N+](=O)[O-],COC(=O)c1c(Cl)ccc(Cl)c1[N+](=O)[O-],"InChI=1/C8H5Cl2NO4/c1-15-8(12)6-4(9)2-3-5(10)7(6)11(13)14/h2-3H,1H3",C8H5Cl2NO4,,,,,,QAWANAKJSLISKW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.840,254-843-6,40220-08-4,"(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl triacrylate","(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisacrylate",C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O,C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O,"InChI=1/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2",C18H21N3O9,,,,,,YIJYFLXQHDOQGW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.841,254-844-1,40220-12-0,"Acrylic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","acrylic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)C=C,OCCN(CCO)CCO.OC(=O)C=C,"InChI=1/C6H15NO3.C3H4O2/c8-4-1-7(2-5-9)3-6-10;1-2-3(4)5/h8-10H,1-6H2;2H,1H2,(H,4,5)",C6H15NO3.C3H4O2,,,,,,SHDIPWPAGQDYTH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.850,254-854-6,40241-78-9,"4,5-dihydro-2-(methylthio)-1H-imidazole monohydrobromide","2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydrobromide",Br.CSC1=NCCN1,Br.CSC1=NCCN1,"InChI=1/C4H8N2S.BrH/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H",C4H8N2S.BrH,,,,,,UPISCLUJZRQPPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.851,254-855-1,40242-27-1,"9-fluoro-11ß,17-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-[tricyclo[3.3.1.13,7]dec-1-ylformate]","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl adamantane-1-carboxylate",CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C56CC7CC(CC(C7)C5)C6,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C56CC7CC(CC(C7)C5)C6,"InChI=1/C33H43FO6/c1-18-8-25-24-5-4-22-12-23(35)6-7-29(22,2)32(24,34)26(36)16-30(25,3)33(18,39)27(37)17-40-28(38)31-13-19-9-20(14-31)11-21(10-19)15-31/h6-7,12,18-21,24-26,36,39H,4-5,8-11,13-17H2,1-3H3",C33H43FO6,,,,,,NNYUDLQXONVMAY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.856,254-860-9,40256-87-9,N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(4-nitrophenoxy)acetamide,N-{1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl}-2-(4-nitrophenoxy)acetamide,CC(Cc1cccc(c1)C(F)(F)F)NC(=O)COc2ccc(cc2)[N+](=O)[O-],CC(Cc1cccc(c1)C(F)(F)F)NC(=O)COc2ccc(cc2)[N+](=O)[O-],"InChI=1/C18H17F3N2O4/c1-12(9-13-3-2-4-14(10-13)18(19,20)21)22-17(24)11-27-16-7-5-15(6-8-16)23(25)26/h2-8,10,12H,9,11H2,1H3,(H,22,24)",C18H17F3N2O4,,,,,,VYKWCDLIIVCPPL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.186,259-624-9,55399-12-7,"Tetrahydro-a,a,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol",2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl]propan-2-ol,CC1=CCC(CC1)C2(C)CCC(O2)C(C)(C)O,CC1=CCC(CC1)C2(C)CCC(O2)C(C)(C)O,"InChI=1/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3",C15H26O2,,,,,,RKBAYVATPNYHLW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.188,259-627-5,55406-53-6,3-iodo-2-propynyl butylcarbamate,3-iodoprop-2-yn-1-yl butylcarbamate,CCCCNC(=O)OCC#CI,CCCCNC(=O)OCC#CI,"InChI=1/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)",C8H12INO2,,,,,,WYVVKGNFXHOCQV-UHFFFAOYSA-N,Positive,EA030501|EA030502|EA030503|EA030504|EA030505|EA030506|EA030507|EA030508|EA030509|EA030510|EA030511|EA030512|EA030513|EA030514;UF418401|UF418402|UF418403|UF418404,[M+H]+;[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,238.0087:164.9196:155.0941|164.9196:281.9987:57.0699|164.9197:57.0699:155.0944|164.9197:57.0699:55.0179|164.9196:57.0699:55.0178|164.9196:126.904:57.0699|164.9196:126.904:57.0699|164.9196:281.9986:57.0699|164.9196:57.0699:155.0941|164.9196:57.0699:55.0179|164.9196:57.0699:55.0179|164.9197:126.904:57.0699|164.9196:126.904:57.0699|238.0087:164.9195:155.0941;164.9202:126.9037|164.9201:126.9044|238.0096:164.9202:155.0946|164.9202:238.0096:155.0946,Eawag;UFZ,,,,,
100.054.190,259-629-6,55417-50-0,"Ethyl 2-cyano-3-(3,4-dichlorophenyl)acrylate","ethyl 2-cyano-3-(3,4-dichlorophenyl)acrylate",CCOC(=O)\\C(=C/c1ccc(Cl)c(Cl)c1)\\C#N,CCOC(=O)\C(=C/c1ccc(Cl)c(Cl)c1)\C#N,"InChI=1/C12H9Cl2NO2/c1-2-17-12(16)9(7-15)5-8-3-4-10(13)11(14)6-8/h3-6H,2H2,1H3",C12H9Cl2NO2,,,,,,BAGNYLHFEFULOF-UITAMQMPSA-N,,,,,,,,,,,
100.054.193,259-632-2,55425-38-2,"2-phenyl-3-(1H-1,2,4-triazol-5-ylazo)-1H-indole","2-phenyl-3-(4H-1,2,4-triazol-3-yldiazenyl)-1H-indole",N(=NC=1NC=NN=1)C2=C(NC=3C=CC=CC2=3)C4=CC=CC=C4,N(=NC=1NC=NN=1)C2=C(NC=3C=CC=CC2=3)C4=CC=CC=C4,"InChI=1/C16H12N6/c1-2-6-11(7-3-1)14-15(20-22-16-17-10-18-21-16)12-8-4-5-9-13(12)19-14/h1-10,19H,(H,17,18,21)",C16H12N6,,,,,,XSGLLCJEBDKHPO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.195,259-634-3,55426-74-9,Ethyl 2-dimethylaminobenzoate,ethyl 2-(dimethylamino)benzoate,CCOC(=O)c1ccccc1N(C)C,CCOC(=O)c1ccccc1N(C)C,"InChI=1/C11H15NO2/c1-4-14-11(13)9-7-5-6-8-10(9)12(2)3/h5-8H,4H2,1-3H3",C11H15NO2,,,,,,ORBFAMHUKZLWSD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.197,259-636-4,55432-15-0,Pirinidazole,2-{[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]sulfanyl}pyridine,Cn1c(CSc2ccccn2)ncc1[N+](=O)[O-],Cn1c(CSc2ccccn2)ncc1[N+](=O)[O-],"InChI=1/C10H10N4O2S/c1-13-8(12-6-10(13)14(15)16)7-17-9-4-2-3-5-11-9/h2-6H,7H2,1H3",C10H10N4O2S,,,,,,IRVDBEMWNQAVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.917,252-724-3,35783-51-8,"2'-[bis(4-chlorobenzyl)amino]-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-[bis(4-chlorobenzyl)amino]-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(Cc6ccc(Cl)cc6)Cc7ccc(Cl)cc7)c1,CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(Cc6ccc(Cl)cc6)Cc7ccc(Cl)cc7)c1,"InChI=1/C38H32Cl2N2O3/c1-3-41(4-2)30-17-19-33-36(22-30)44-35-20-18-29(21-34(35)38(33)32-8-6-5-7-31(32)37(43)45-38)42(23-25-9-13-27(39)14-10-25)24-26-11-15-28(40)16-12-26/h5-22H,3-4,23-24H2,1-2H3",C38H32Cl2N2O3,,,,,,DAQAGCVWRASNLN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.923,252-731-1,35795-13-2,"2-chloro-6,7,8-trimethoxyquinazolin-4-amine","2-chloro-6,7,8-trimethoxyquinazolin-4-amine",COc1cc2c(N)nc(Cl)nc2c(OC)c1OC,COc1cc2c(N)nc(Cl)nc2c(OC)c1OC,"InChI=1/C11H12ClN3O3/c1-16-6-4-5-7(9(18-3)8(6)17-2)14-11(12)15-10(5)13/h4H,1-3H3,(H2,13,14,15)",C11H12ClN3O3,,,,,,ZMGPXECXBVFPBO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.927,252-735-3,35800-55-6,17ß-hydroxyestr-4-en-3-one 17-valerate,3-oxoestr-4-en-17-yl valerate,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1/C23H34O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h14,17-21H,3-13H2,1-2H3",C23H34O3,,,,,,BCQGHMNTFIFCQJ-ZBVDZRMISA-N,,,,,,,,,,,
100.047.930,252-739-5,35822-55-0,"N-(2,2-diethoxyethyl)pyridine-4-methylamine","2,2-diethoxy-N-(pyridin-4-ylmethyl)ethanamine",CCOC(CNCc1ccncc1)OCC,CCOC(CNCc1ccncc1)OCC,"InChI=1/C12H20N2O2/c1-3-15-12(16-4-2)10-14-9-11-5-7-13-8-6-11/h5-8,12,14H,3-4,9-10H2,1-2H3",C12H20N2O2,,,,,,CHSZWWRAQKHIPD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.737,254-730-1,39979-46-9,"1,1'-(2,2,4-trimethylhexane-1,6-diyl)bis-1H-pyrrole-2,5-dione","1,1'-(2,2,4-trimethylhexane-1,6-diyl)bis(1H-pyrrole-2,5-dione)",CC(CCN1C(=O)C=CC1=O)CC(C)(C)CN2C(=O)C=CC2=O,CC(CCN1C(=O)C=CC1=O)CC(C)(C)CN2C(=O)C=CC2=O,"InChI=1/C17H22N2O4/c1-12(8-9-18-13(20)4-5-14(18)21)10-17(2,3)11-19-15(22)6-7-16(19)23/h4-7,12H,8-11H2,1-3H3",C17H22N2O4,,,,,,XQCDLHVXAXBMGW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.251,256-395-7,49601-06-1,(S)-2-hydroxy-2-(isopropyl)succinic acid,2-hydroxy-2-isopropylsuccinic acid,CC(C)[C@@](O)(CC(=O)O)C(=O)O,CC(C)[C@@](O)(CC(=O)O)C(=O)O,"InChI=1/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)",C7H12O5,,,,,,BITYXLXUCSKTJS-ZETCQYMHSA-N,,,,,,,,,,,
100.051.252,256-396-2,49606-44-2,"7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one","7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one",Fc1ccccc1C2=NCC(=O)N(CC(F)(F)F)c3ccc(Cl)cc23,Fc1ccccc1C2=NCC(=O)N(CC(F)(F)F)c3ccc(Cl)cc23,"InChI=1/C17H11ClF4N2O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",C17H11ClF4N2O,,,,,,YFSXBSRGIRSXAD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.256,256-400-2,49623-71-4,"2,4,6-tris(1-methylethyl)benzoic acid","2,4,6-triisopropylbenzoic acid",CC(C)c1cc(C(C)C)c(C(=O)O)c(c1)C(C)C,CC(C)c1cc(C(C)C)c(C(=O)O)c(c1)C(C)C,"InChI=1/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)",C16H24O2,,,,,,ULVHAZFBJJXIDO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.257,256-401-8,49625-94-7,Sodium 3-(benzothiazol-2-ylthio)propanesulphonate,"sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate",[Na+].[O-]S(=O)(=O)CCCSc1nc2ccccc2s1,[Na+].[O-]S(=O)(=O)CCCSc1nc2ccccc2s1,"InChI=1/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1",C10H11NO3S3.Na,,,,,,VRKNGZAPJYUNSN-UHFFFAOYSA-M,,,,,,,,,,,
100.051.258,256-402-3,49627-22-7,(Z)-(±)-5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acid,{5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid,CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc(cc3)S(=O)C,CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc(cc3)S(=O)C,"InChI=1/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)",C20H17FO3S,,,,,,MLKXDPUZXIRXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.259,256-403-9,49627-27-2,(Z)-5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid,{5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid,CSc1ccc(\\C=C/2\\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1,CSc1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1,"InChI=1/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)",C20H17FO2S,,,,,,LFWHFZJPXXOYNR-MFOYZWKCSA-N,,,,,,,,,,,
100.051.267,256-412-8,49653-47-6,"1,1-dimethylethyl dichloroacetate",tert-butyl dichloroacetate,CC(C)(C)OC(=O)C(Cl)Cl,CC(C)(C)OC(=O)C(Cl)Cl,"InChI=1/C6H10Cl2O2/c1-6(2,3)10-5(9)4(7)8/h4H,1-3H3",C6H10Cl2O2,,,,,,FOLRKRMAFDGZRR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.274,256-420-1,49665-74-9,2-(chloromethyl)-1-methylpiperidine,2-(chloromethyl)-1-methylpiperidine,CN1CCCCC1CCl,CN1CCCCC1CCl,"InChI=1/C7H14ClN/c1-9-5-3-2-4-7(9)6-8/h7H,2-6H2,1H3",C7H14ClN,,,,,,FGMRHGUEOYXVMX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.276,256-422-2,49669-45-6,Ethyl 1-methylpyrrole-2-acetate,ethyl (1-methyl-1H-pyrrol-2-yl)acetate,CCOC(=O)Cc1cccn1C,CCOC(=O)Cc1cccn1C,"InChI=1/C9H13NO2/c1-3-12-9(11)7-8-5-4-6-10(8)2/h4-6H,3,7H2,1-2H3",C9H13NO2,,,,,,OORBYQVSQSXKRG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.949,256-063-1,43050-28-8,1-(4-methoxyphenyl)cyclopentane-1-carboxylic acid,1-(4-methoxyphenyl)cyclopentanecarboxylic acid,COc1ccc(cc1)C2(CCCC2)C(=O)O,COc1ccc(cc1)C2(CCCC2)C(=O)O,"InChI=1/C13H16O3/c1-16-11-6-4-10(5-7-11)13(12(14)15)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)",C13H16O3,,,,,,OMMROWIAJMZSLF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.695,255-783-3,42372-36-1,"2-chloroethyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","2-chloroethyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",ClCCOS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,ClCCOS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,"InChI=1/C12H9ClN2O4S/c13-6-7-19-20(17,18)11-3-1-2-9-8(11)4-5-10(15-14)12(9)16/h1-5H,6-7H2",C12H9ClN2O4S,,,,,,VHZDXGOUUGRBHG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.704,255-793-8,42394-05-8,13-oxabicyclo[10.1.0]tridecadiene,"13-oxabicyclo[10.1.0]trideca-1,3-diene",C1CCC\\C=C/C=C\\2/OC2CCC1,C1CCC\C=C/C=C\2/OC2CCC1,"InChI=1/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h5,7,9,12H,1-4,6,8,10H2",C12H18O,,,,,,APOHERQVXMYBFG-BABZSUFTSA-N,,,,,,,,,,,
100.050.706,255-795-9,42399-40-6,"(2S-cis)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one","5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one",COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O,COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O,"InChI=1/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3",C20H24N2O3S,,,,,,NZHUXMZTSSZXSB-MOPGFXCFSA-N,,,,,,,,,,,
100.048.573,253-450-7,37292-80-1,"Silicic acid, calcium iron magnesium salt",-,[Mg+2].[Ca+2].[Fe+2].[O-][Si](=O)[O-],[Mg+2].[Ca+2].[Fe+2].[O-][Si](=O)[O-],InChI=1/Ca.Fe.Mg.O3Si/c;;;1-4(2)3/q3*+2;-2,-,,,,,,TZSQCGQIZBCKQW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.591,253-470-6,37339-32-5,2-hydroxy-5-nonylbenzophenone oxime,(2-hydroxy-5-nonylphenyl)(phenyl)methanone oxime,CCCCCCCCCc1ccc(O)c(c1)C(=NO)c2ccccc2,CCCCCCCCCc1ccc(O)c(c1)C(=NO)c2ccccc2,"InChI=1/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,24-25H,2-7,9,12H2,1H3",C22H29NO2,,,,,,CROPCLKVTSNPEY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.605,253-485-8,37362-82-6,Indium tin pentachloride,indium tin pentachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[In+3].[Sn+4],[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[In+3].[Sn+4],InChI=1/5ClH.In.Sn/h5*1H;;/q;;;;;+3;+4/p-5,Cl5InSn,,,,,,RAPZXRVIZAHCJD-UHFFFAOYSA-I,,,,,,,,,,,
100.049.487,254-455-7,39445-33-5,"Copper, compound with tin (4:1)",-,[Cu].[Cu].[Cu].[Cu].[Sn],[Cu].[Cu].[Cu].[Cu].[Sn],InChI=1/4Cu.Sn.2H/q4*+1;+4;;/r4Cu.H2Sn/h;;;;1H2/q4*+1;+4,Cu.Sn,,,,,,MXFUDVQFLWCGDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.497,254-466-7,39471-52-8,"Phosphoric acid, octadecyl ester",octadecyl dihydrogen phosphate,CCCCCCCCCCCCCCCCCCOP(=O)(O)O,CCCCCCCCCCCCCCCCCCOP(=O)(O)O,"InChI=1/C18H39O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H2,19,20,21)",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12424,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.497,UHGIMQLJWRAPLT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.498,254-467-2,39478-78-9,5-bromo-o-toluidine,5-bromo-2-methylaniline,Cc1ccc(Br)cc1N,Cc1ccc(Br)cc1N,"InChI=1/C7H8BrN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3",C7H8BrN,,,,,,RXQNKKRGJJRMKD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.002,256-121-6,43156-47-4,2-nitro-5-(phenylthio)aniline,2-nitro-5-(phenylsulfanyl)aniline,Nc1cc(Sc2ccccc2)ccc1[N+](=O)[O-],Nc1cc(Sc2ccccc2)ccc1[N+](=O)[O-],"InChI=1/C12H10N2O2S/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h1-8H,13H2",C12H10N2O2S,,,,,,AJGJUXSVUPXOHL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.004,256-123-7,43161-97-3,"N,N'-(iminodiethylene)bis(dodecanamide)","N,N'-(iminodiethane-2,1-diyl)didodecanamide",CCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCC,"InChI=1/C28H57N3O2/c1-3-5-7-9-11-13-15-17-19-21-27(32)30-25-23-29-24-26-31-28(33)22-20-18-16-14-12-10-8-6-4-2/h29H,3-26H2,1-2H3,(H,30,32)(H,31,33)",C28H57N3O2,,,,,,BGEMFQCZIBYDGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.005,256-124-2,43161-98-4,"N,N'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bishexadecan-1-amide","N-(13-oxo-3,6,9,12-tetraazaoctacos-1-yl)hexadecanamide (non-preferred name)",CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCC,"InChI=1/C40H83N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(46)44-37-35-42-33-31-41-32-34-43-36-38-45-40(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-43H,3-38H2,1-2H3,(H,44,46)(H,45,47)",C40H83N5O2,,,,,,MAWMCFJFQROXAI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.015,256-135-2,43192-10-5,"2,4-dichloro-N-hydroxyaniline","2,4-dichloro-N-hydroxyaniline",ONc1ccc(Cl)cc1Cl,ONc1ccc(Cl)cc1Cl,"InChI=1/C6H5Cl2NO/c7-4-1-2-6(9-10)5(8)3-4/h1-3,9-10H",C6H5Cl2NO,,,,,,UFVLBYBGSVNPQI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.017,256-137-3,43193-60-8,Pyrazinetetracarboxylic acid,"pyrazine-2,3,5,6-tetracarboxylic acid",OC(=O)c1nc(C(=O)O)c(nc1C(=O)O)C(=O)O,OC(=O)c1nc(C(=O)O)c(nc1C(=O)O)C(=O)O,"InChI=1/C8H4N2O8/c11-5(12)1-2(6(13)14)10-4(8(17)18)3(9-1)7(15)16/h(H,11,12)(H,13,14)(H,15,16)(H,17,18)",C8H4N2O8,,,,,,RTHVZRHBNXZKKB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.019,256-139-4,43200-81-3,"6-(5-chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one","6-(5-chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one",OC1N(C(=O)c2nccnc12)c3ccc(Cl)cn3,OC1N(C(=O)c2nccnc12)c3ccc(Cl)cn3,"InChI=1/C11H7ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H",C11H7ClN4O2,,,,,,FUUXOEKDNNWZTR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.963,253-878-4,38321-02-7,"(+)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile","2-(3,4-dimethoxyphenyl)-5-{[2-(2,3-dimethoxyphenyl)ethyl](methyl)amino}-2-ethylpentanenitrile",CCC(CCCN(C)CCc1cccc(OC)c1OC)(C#N)c2ccc(OC)c(OC)c2,CCC(CCCN(C)CCc1cccc(OC)c1OC)(C#N)c2ccc(OC)c(OC)c2,"InChI=1/C26H36N2O4/c1-7-26(19-27,21-12-13-22(29-3)24(18-21)31-5)15-9-16-28(2)17-14-20-10-8-11-23(30-4)25(20)32-6/h8,10-13,18H,7,9,14-17H2,1-6H3",C27H38N2O4,,,,,,FTZCBMKQDCJEKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.966,253-882-6,38325-23-4,"3-[(2,3-dihydro-5-methyl-3-furyl)thio]tetrahydro-2-methylfuran-3-thiol","2-methyl-3-[(5-methyl-2,3-dihydrofuran-3-yl)sulfanyl]tetrahydrofuran-3-thiol (non-preferred name)",CC1OCCC1(S)SC2COC(=C2)C,CC1OCCC1(S)SC2COC(=C2)C,"InChI=1/C10H16O2S2/c1-7-5-9(6-12-7)14-10(13)3-4-11-8(10)2/h5,8-9,13H,3-4,6H2,1-2H3",C10H16O2S2,,,,,,LNXJPLRQQUPVQW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.969,253-885-2,38325-26-7,"Hexahydro-2',4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3'(2'H)-furan]","2',4-dimethylhexahydrospiro[1,3-dithiolo[4,5-c]furan-2,3'-furan] (non-preferred name)",CC1OCC2SC3(CCOC3C)SC12,CC1OCC2SC3(CCOC3C)SC12,"InChI=1/C10H16O2S2/c1-6-9-8(5-12-6)13-10(14-9)3-4-11-7(10)2/h6-9H,3-5H2,1-2H3",C10H16O2S2,,,,,,KKEFRICKADNKCV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.970,253-886-8,38330-80-2,Potassium methyl malonate,potassium 3-methoxy-3-oxopropanoate,[K+].COC(=O)CC(=O)[O-],[K+].COC(=O)CC(=O)[O-],"InChI=1/C4H6O4.K/c1-8-4(7)2-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",C4H6O4.K,,,,,,WWTULTKUWBKVGV-UHFFFAOYSA-M,,,,,,,,,,,
100.048.973,253-889-4,38338-53-3,Pentakis(isobutyl)di-µ-oxotrialuminium,-,CC(C)C[Al](CC(C)C)O[Al](CC(C)C)O[Al](CC(C)C)CC(C)C,CC(C)C[Al](CC(C)C)O[Al](CC(C)C)O[Al](CC(C)C)CC(C)C,"InChI=1/5C4H9.3Al.2O/c5*1-4(2)3;;;;;/h5*4H,1H2,2-3H3;;;;;/rC20H45Al3O2/c1-16(2)11-21(12-17(3)4)24-23(15-20(9)10)25-22(13-18(5)6)14-19(7)8/h16-20H,11-15H2,1-10H3",C20H45Al3O2,,,,,,FIAHJXNXAMAEQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.977,253-894-1,38350-87-7,4-heptylbenzoic acid,4-heptylbenzoic acid,CCCCCCCc1ccc(cc1)C(=O)O,CCCCCCCc1ccc(cc1)C(=O)O,"InChI=1/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)",C14H20O2,,,,,,VSUKEWPHURLYTK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.980,253-897-8,38353-09-2,Pyrimidine-2-ol hydrochloride,pyrimidin-2-ol hydrochloride,Cl.Oc1ncccn1,Cl.Oc1ncccn1,"InChI=1/C4H4N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H",C4H4N2O.ClH,,,,,,IAJINJSFYTZPEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.982,253-899-9,38353-82-1,1-[(3-aminophenyl)amino]-3-phenoxypropan-2-ol,1-[(3-aminophenyl)amino]-3-phenoxypropan-2-ol,Nc1cccc(NCC(O)COc2ccccc2)c1,Nc1cccc(NCC(O)COc2ccccc2)c1,"InChI=1/C15H18N2O2/c16-12-5-4-6-13(9-12)17-10-14(18)11-19-15-7-2-1-3-8-15/h1-9,14,17-18H,10-11,16H2",C15H18N2O2,,,,,,RFPKYQMWFYTWKO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.984,253-901-8,38360-81-5,"3,5-dimethylbenzenethiol","3,5-dimethylbenzenethiol",Cc1cc(C)cc(S)c1,Cc1cc(C)cc(S)c1,"InChI=1/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3",C8H10S,,,,,,CESBAYSBPMVAEI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.221,259-663-1,55482-89-8,Guacetisal,2-methoxyphenyl 2-acetoxybenzoate,COc1ccccc1OC(=O)c2ccccc2OC(=O)C,COc1ccccc1OC(=O)c2ccccc2OC(=O)C,"InChI=1/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3",C16H14O5,,,,,,HSJFYRYGGKLQBT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.229,259-672-0,55490-03-4,2-bromo-2-[(4-methylphenyl)sulphonyl]acetamide,2-bromo-2-[(4-methylphenyl)sulfonyl]acetamide,Cc1ccc(cc1)S(=O)(=O)C(Br)C(=O)N,Cc1ccc(cc1)S(=O)(=O)C(Br)C(=O)N,"InChI=1/C9H10BrNO3S/c1-6-2-4-7(5-3-6)15(13,14)8(10)9(11)12/h2-5,8H,1H3,(H2,11,12)",C9H10BrNO3S,,,,,,WLSZSLYALIHGPS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.236,259-679-9,55505-28-7,9-methyldecan-1-ol,9-methyldecan-1-ol,CC(C)CCCCCCCCO,CC(C)CCCCCCCCO,"InChI=1/C11H24O/c1-11(2)9-7-5-3-4-6-8-10-12/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,JTKHUJNVHQWSAY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.239,259-683-0,55510-04-8,"Tetrahydro-1,4-dinitroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","1,4-dinitrotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",[O-][N+](=O)N1C2NC(=O)N(C2NC1=O)[N+](=O)[O-],[O-][N+](=O)N1C2NC(=O)N(C2NC1=O)[N+](=O)[O-],"InChI=1/C4H4N6O6/c11-3-5-1-2(8(3)10(15)16)6-4(12)7(1)9(13)14/h1-2H,(H,5,11)(H,6,12)",C4H4N6O6,,,,,,YZTLXSKKFIMAKY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.240,259-684-6,55511-33-6,"2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiol","2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiol",CC1CCC2CC1(S)C2(C)C,CC1CCC2CC1(S)C2(C)C,"InChI=1/C10H18S/c1-7-4-5-8-6-10(7,11)9(8,2)3/h7-8,11H,4-6H2,1-3H3",C10H18S,,,,,,YHBWJJQAGNYITO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.376,253-231-6,36826-83-2,Octadecyl 12-hydroxyoctadecanoate,octadecyl 12-hydroxyoctadecanoate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C36H72O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-39-36(38)33-29-25-22-19-18-21-24-28-32-35(37)31-27-8-6-4-2/h35,37H,3-34H2,1-2H3",C36H72O3,,,,,,UGJBFCXWPCFKSG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.378,253-233-7,36837-80-6,"1,1-bis(2-hydroxyethyl)-3-octadecylurea","1,1-bis(2-hydroxyethyl)-3-octadecylurea",CCCCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO,CCCCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO,"InChI=1/C23H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-23(28)25(19-21-26)20-22-27/h26-27H,2-22H2,1H3,(H,24,28)",C23H48N2O3,,,,,,PWTLFNDBSYUVAY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.202,259-642-7,55441-72-0,"7,9-dihydro-3,7,9-trimethyl-1H-purine-2,6,8(3H)-trione","3,7,9-trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)NC(=O)C2=C1N(C)C(=O)N2C,CN1C(=O)NC(=O)C2=C1N(C)C(=O)N2C,"InChI=1/C8H10N4O3/c1-10-4-5(13)9-7(14)11(2)6(4)12(3)8(10)15/h1-3H3,(H,9,13,14)",C8H10N4O3,,,,,,VYWAXKRJTXENCY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.206,259-646-9,55453-24-2,4-(trimethoxysilyl)butyronitrile,4-(trimethoxysilyl)butanenitrile,CO[Si](CCCC#N)(OC)OC,CO[Si](CCCC#N)(OC)OC,"InChI=1/C7H15NO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-5,7H2,1-3H3",C7H15NO3Si,,,,,,FPJPAIQDDFIEKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.207,259-647-4,55455-18-0,N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]benzamide,N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]benzamide,Cc1ncc([N+](=O)[O-])n1CCNC(=O)c2ccccc2,Cc1ncc([N+](=O)[O-])n1CCNC(=O)c2ccccc2,"InChI=1/C13H14N4O3/c1-10-15-9-12(17(19)20)16(10)8-7-14-13(18)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,18)",C13H14N4O3,,,,,,WYBRZOBLOVHIOF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.213,259-654-2,55468-88-7,2-phenoxyethyl p-hydroxybenzoate,2-phenoxyethyl 4-hydroxybenzoate,Oc1ccc(cc1)C(=O)OCCOc2ccccc2,Oc1ccc(cc1)C(=O)OCCOc2ccccc2,"InChI=1/C15H14O4/c16-13-8-6-12(7-9-13)15(17)19-11-10-18-14-4-2-1-3-5-14/h1-9,16H,10-11H2",C15H14O4,,,,,,GGPOVLCFVFOVDF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.216,259-657-9,55474-41-4,"a-(4-chlorophenyl)-2-ethyl-1,3-dioxolane-2-acetonitrile","(4-chlorophenyl)(2-ethyl-1,3-dioxolan-2-yl)acetonitrile",CCC1(OCCO1)C(C#N)c2ccc(Cl)cc2,CCC1(OCCO1)C(C#N)c2ccc(Cl)cc2,"InChI=1/C13H14ClNO2/c1-2-13(16-7-8-17-13)12(9-15)10-3-5-11(14)6-4-10/h3-6,12H,2,7-8H2,1H3",C13H14ClNO2,,,,,,YZCAFLAEZJEYSA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.718,259-109-9,54340-58-8,Meptazinol,3-(3-ethyl-1-methylazepan-3-yl)phenol,CCC1(CCCCN(C)C1)c2cccc(O)c2,CCC1(CCCCN(C)C1)c2cccc(O)c2,"InChI=1/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3",C15H23NO,,,,,,JLICHNCFTLFZJN-UHFFFAOYSA-N,Positive,EQ329001|EQ329002|EQ329003|EQ329004|EQ329005|EQ329006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,234.1851:107.0488:121.0645|234.1851:107.049:121.0647|234.1851:107.0491:133.0647|107.0491:133.0647:234.1852|107.0491:133.0647:105.0699|107.0491:105.0698:79.0542,Eawag,,,,,
100.053.728,259-120-9,54354-14-2,2-mercaptopropionaldehyde,2-sulfanylpropanal,CC(S)C=O,CC(S)C=O,"InChI=1/C3H6OS/c1-3(5)2-4/h2-3,5H,1H3",C3H6OS,,,,,,KNZPMGNXOMIDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.731,259-124-0,54363-79-0,5-[(4-amino-1-naphthyl)azo]-2-anilinobenzenesulphonic acid,5-[(4-amino-1-naphthyl)diazenyl]-2-anilinobenzenesulfonic acid,Nc4ccc(N=Nc2ccc(Nc1ccccc1)c(c2)S(O)(=O)=O)c3ccccc34,Nc4ccc(N=Nc2ccc(Nc1ccccc1)c(c2)S(O)(=O)=O)c3ccccc34,"InChI=1/C22H18N4O3S/c23-19-11-13-20(18-9-5-4-8-17(18)19)26-25-16-10-12-21(22(14-16)30(27,28)29)24-15-6-2-1-3-7-15/h1-14,24H,23H2,(H,27,28,29)",C22H18N4O3S,,,,,,BXYJHQULICQBSS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.733,259-126-1,54364-60-2,"(7Z,9E)-dodeca-7,9-dienol","dodeca-7,9-dien-1-ol",CC\\C=C\\C=C/CCCCCCO,CC\C=C\C=C/CCCCCCO,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-6,13H,2,7-12H2,1H3",C12H22O,,,,,,SSGXHMNJZLXQIW-ICWBMWKASA-N,,,,,,,,,,,
100.053.736,259-129-8,54375-47-2,4-methylcoumarin-6-ylmethyliminodiacetic acid,"2,2'-{[(4-methyl-2-oxo-2H-chromen-6-yl)methyl]imino}diacetic acid",CC1=CC(=O)Oc2ccc(CN(CC(=O)O)CC(=O)O)cc12,CC1=CC(=O)Oc2ccc(CN(CC(=O)O)CC(=O)O)cc12,"InChI=1/C15H15NO6/c1-9-4-15(21)22-12-3-2-10(5-11(9)12)6-16(7-13(17)18)8-14(19)20/h2-5H,6-8H2,1H3,(H,17,18)(H,19,20)",C15H15NO7,,,,,,IJHAVNKJMOPQCG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.737,259-130-3,54380-33-5,2-[(2-methyl-1-oxoallyl)oxy]ethyl hydrogen 3-chloro-2-hydroxypropylphthalate,2-(3-chloro-2-hydroxypropyl)-6-{[2-(methacryloyloxy)ethoxy]carbonyl}benzoic acid,CC(=C)C(=O)OCCOC(=O)c1cccc(CC(O)CCl)c1C(=O)O,CC(=C)C(=O)OCCOC(=O)c1cccc(CC(O)CCl)c1C(=O)O,"InChI=1/C17H19ClO7/c1-10(2)16(22)24-6-7-25-17(23)13-5-3-4-11(8-12(19)9-18)14(13)15(20)21/h3-5,12,19H,1,6-9H2,2H3,(H,20,21)",C17H19ClO7,,,,,,SOXGPXOTUWGLJR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.741,259-135-0,54381-53-2,"2,2-bis(hydroxymethyl)propane-1,3-diyl dimyristate","2,2-bis(hydroxymethyl)propane-1,3-diyl ditetradecanoate",CCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCC,"InChI=1/C33H64O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-31(36)38-29-33(27-34,28-35)30-39-32(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-30H2,1-2H3",C33H64O6,,,,,,WSETZJFXXOFEBR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.000,252-815-8,35954-85-9,"4-[(2,4-dinitrophenyl)azo]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline","4-[(2,4-dinitrophenyl)diazenyl]-N-ethyl-N-[2-(1-isobutoxyethoxy)ethyl]aniline",CC(C)COC(C)OCCN(CC)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)cc2,CC(C)COC(C)OCCN(CC)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)cc2,"InChI=1/C22H29N5O6/c1-5-25(12-13-32-17(4)33-15-16(2)3)19-8-6-18(7-9-19)23-24-21-11-10-20(26(28)29)14-22(21)27(30)31/h6-11,14,16-17H,5,12-13,15H2,1-4H3",C22H29N5O6,,,,,,FIZMOUUDNDBXRY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.002,252-817-9,35963-20-3,"(1R)-[7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonic acid","(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid",CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,"InChI=1/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)",C10H16O4S,,,,,,MIOPJNTWMNEORI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.683,252-467-7,35254-73-0,Ethyl(1-phenylethyl)benzene,1-ethyl-2-(1-phenylethyl)benzene,CCc1ccccc1C(C)c2ccccc2,CCc1ccccc1C(C)c2ccccc2,"InChI=1/C16H18/c1-3-14-9-7-8-12-16(14)13(2)15-10-5-4-6-11-15/h4-13H,3H2,1-2H3",C16H18,,,,,,SCKLXKXVABYWRC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.959,256-074-1,43076-30-8,4'-tert-butyl-4-[4-(hydroxybenzhydryl)piperidino]butyrophenone,1-(4-tert-butylphenyl)-4-{4-[(2-hydroxyphenyl)(phenyl)methyl]piperidin-1-yl}butan-1-one,CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)C(c3ccccc3)c4ccccc4O,CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)C(c3ccccc3)c4ccccc4O,"InChI=1/C32H39NO2/c1-32(2,3)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-26(20-23-33)31(25-10-5-4-6-11-25)28-12-7-8-13-30(28)35/h4-8,10-13,15-18,26,31,35H,9,14,19-23H2,1-3H3",C32H39NO2,,,,,,VUBAGPFCNDYNOA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.960,256-075-7,43076-44-4,1-[3-(p-tert-butylbenzoyl)propyl]-4-(hydroxybenzhydryl)piperidinium chloride,1-[4-(4-tert-butylphenyl)-4-oxobutyl]-4-[(2-hydroxyphenyl)(phenyl)methyl]piperidinium chloride,[Cl-].CC(C)(C)c1ccc(cc1)C(=O)CCC[NH+]2CCC(CC2)C(c3ccccc3)c4ccccc4O,[Cl-].CC(C)(C)c1ccc(cc1)C(=O)CCC[NH+]2CCC(CC2)C(c3ccccc3)c4ccccc4O,"InChI=1/C32H39NO2.ClH/c1-32(2,3)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-26(20-23-33)31(25-10-5-4-6-11-25)28-12-7-8-13-30(28)35;/h4-8,10-13,15-18,26,31,35H,9,14,19-23H2,1-3H3;1H",C32H39NO2.ClH,,,,,,PGNHEXAUQBOUHL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.962,256-077-8,43076-61-5,4'-tert-butyl-4-chlorobutyrophenone,1-(4-tert-butylphenyl)-4-chlorobutan-1-one,CC(C)(C)c1ccc(cc1)C(=O)CCCCl,CC(C)(C)c1ccc(cc1)C(=O)CCCCl,"InChI=1/C14H19ClO/c1-14(2,3)12-8-6-11(7-9-12)13(16)5-4-10-15/h6-9H,4-5,10H2,1-3H3",C14H19ClO,,,,,,RLKSQLJFGCDUOX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.972,256-088-8,43096-12-4,"N-[4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-{4-[(4-butylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}benzamide",CCCCc1ccc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)cc1,CCCCc1ccc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C31H26N2O3/c1-2-3-9-20-14-16-22(17-15-20)32-25-18-19-26(33-31(36)21-10-5-4-6-11-21)28-27(25)29(34)23-12-7-8-13-24(23)30(28)35/h4-8,10-19,32H,2-3,9H2,1H3,(H,33,36)",C31H26N2O3,,,,,,FBGVWUGZXVWYLN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.973,256-089-3,43099-94-1,"2-(3-hydroxy-2(1H)-quinolylidene)-N,N-dimethyl-1,3-dioxoindan-5-carboxamide","2-(3-hydroxyquinolin-2(1H)-ylidene)-N,N-dimethyl-1,3-dioxoindane-5-carboxamide",CN(C)C(=O)c3ccc4C(=O)C(=C1Nc2ccccc2\\C=C1\\O)C(=O)c4c3,CN(C)C(=O)c3ccc4C(=O)C(=C1Nc2ccccc2\C=C1\O)C(=O)c4c3,"InChI=1/C21H16N2O4/c1-23(2)21(27)12-7-8-13-14(9-12)20(26)17(19(13)25)18-16(24)10-11-5-3-4-6-15(11)22-18/h3-10,22,24H,1-2H3",C21H16N2O4,,,,,,UZSOYNKEVRNZHX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.975,256-091-4,43100-74-9,o-[(2-hydroxyethyl)amino]phenol sulphate,2-[(2-hydroxyethyl)amino]phenol sulfate (salt),OCCNc1ccccc1O.OS(=O)(=O)O,OCCNc1ccccc1O.OS(=O)(=O)O,"InChI=1/C8H11NO2.H2O4S/c10-6-5-9-7-3-1-2-4-8(7)11;1-5(2,3)4/h1-4,9-11H,5-6H2;(H2,1,2,3,4)",C8H11NO2.xH2O4S,,,,,,LBORBJWFQPAQGB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.979,256-096-1,43109-72-4,2-tert-butyl-4-methylanisole,2-tert-butyl-1-methoxy-4-methylbenzene,COc1ccc(C)cc1C(C)(C)C,COc1ccc(C)cc1C(C)(C)C,"InChI=1/C12H18O/c1-9-6-7-11(13-5)10(8-9)12(2,3)4/h6-8H,1-5H3",C12H18O,,,,,,MFUCHEKLRHJSFE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.982,256-099-8,43115-21-5,"2,2'-(naphthalene-1,4-diyl)bis[5-(ethylsulphonyl)benzoxazole]","2,2'-naphthalene-1,4-diylbis[5-(ethylsulfonyl)-1,3-benzoxazole]",CCS(=O)(=O)c1ccc2oc(nc2c1)c3ccc(c4oc5ccc(cc5n4)S(=O)(=O)CC)c6ccccc36,CCS(=O)(=O)c1ccc2oc(nc2c1)c3ccc(c4oc5ccc(cc5n4)S(=O)(=O)CC)c6ccccc36,"InChI=1/C28H22N2O6S2/c1-3-37(31,32)17-9-13-25-23(15-17)29-27(35-25)21-11-12-22(20-8-6-5-7-19(20)21)28-30-24-16-18(38(33,34)4-2)10-14-26(24)36-28/h5-16H,3-4H2,1-2H3",C28H22N2O6S2,,,,,,VKMDEOVMXQHORY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.983,256-100-1,43115-40-8,2-amino-4-(ethylsulphonyl)phenol,2-amino-4-(ethylsulfonyl)phenol,CCS(=O)(=O)c1ccc(O)c(N)c1,CCS(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C8H11NO3S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3",C8H11NO3S,,,,,,UPJVUFCLBYQKFH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.988,256-105-9,43124-60-3,"(1a,4a,6a)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",C[C@@H]1C[C@@H]2[C@H](CC1=O)C2(C)C,C[C@@H]1C[C@@H]2[C@H](CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,ABSCYWMYRVUUIC-PRJMDXOYSA-N,,,,,,,,,,,
100.050.991,256-109-0,43129-74-4,"Acridine-3,6-diol","acridine-3,6-diol",Oc1ccc2cc3ccc(O)cc3nc2c1,Oc1ccc2cc3ccc(O)cc3nc2c1,"InChI=1/C13H9NO2/c15-10-3-1-8-5-9-2-4-11(16)7-13(9)14-12(8)6-10/h1-7,15-16H",C13H9NO2,,,,,,LXFYIIKDJZNGST-UHFFFAOYSA-N,,,,,,,,,,,
100.050.993,256-111-1,43134-64-1,Diisobutoxy[(1-oxooctadecyl)oxy]aluminium,aluminum bis(2-methylpropan-1-olate) stearate,CCCCCCCCCCCCCCCCCC(=O)O[Al](OCC(C)C)OCC(C)C,CCCCCCCCCCCCCCCCCC(=O)O[Al](OCC(C)C)OCC(C)C,"InChI=1/C18H36O2.2C4H9O.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-4(2)3-5;/h2-17H2,1H3,(H,19,20);2*4H,3H2,1-2H3;/q;2*-1;+3/p-1/rC26H53AlO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)31-27(29-22-24(2)3)30-23-25(4)5/h24-25H,6-23H2,1-5H3",C26H53AlO4,,,,,,KQNHWOYDKAQGIM-UHFFFAOYSA-M,,,,,,,,,,,
100.048.261,253-105-0,36559-87-2,"3-hydroxy-2,2-dimethylpropionaldehyde oxime","3-hydroxy-2,2-dimethylpropanal oxime",CC(C)(CO)\\C=N\\O,CC(C)(CO)\C=N\O,"InChI=1/C5H11NO2/c1-5(2,4-7)3-6-8/h3,7-8H,4H2,1-2H3",C5H11NO2,,,,,,ZIIOSFHXHLTBRD-ZZXKWVIFSA-N,,,,,,,,,,,
100.051.021,256-142-0,43204-63-3,Bis(2-bromoethyl)ammonium bromide,2-bromo-N-(2-bromoethyl)ethanaminium bromide,[Br-].BrCC[NH2+]CCBr,[Br-].BrCC[NH2+]CCBr,"InChI=1/C4H9Br2N.BrH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H",C4H9Br2N.BrH,,,,,,YHHKEXPNBPDPOW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.024,256-145-7,43210-67-9,Fenbendazole,methyl [5-(phenylsulfanyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,"InChI=1/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",C15H13N3O2S,,,,,,HDDSHPAODJUKPD-UHFFFAOYSA-N,Positive,AU106201|AU106202|AU106203|AU106204|AU106205,[M+H]+,CID10|CID20|CID30|CID40|CID50,300.0799:301.0831:302.0767|268.054:300.0801:269.0571|268.0541:159.0419:269.0569|159.042:268.0538:190.0065|159.0419:131.0472:190.0061,Athens_Univ,,,,,
100.051.025,256-146-2,43212-87-9,"Succinic acid, iron salt",iron(2+) succinate,[Fe+2].[O-]C(=O)CCC(=O)[O-],[Fe+2].[O-]C(=O)CCC(=O)[O-],"InChI=1/C4H6O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",C4H6O4.xFe,,,,,,MDXRFOWKIZPNTA-UHFFFAOYSA-L,,,,,,,,,,,
100.051.027,256-148-3,43218-56-0,"2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide monohydrochloride","N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]glycinamide hydrochloride",Cl.COc1ccc(OC)c(c1)C(O)CNC(=O)CN,Cl.COc1ccc(OC)c(c1)C(O)CNC(=O)CN,"InChI=1/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H",C12H18N2O4.ClH,,,,,,MGCQZNBCJBRZDT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.029,256-150-4,43219-68-7,"1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one","1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone",CC(=O)C1(C)CCC(=CC1)C,CC(=O)C1(C)CCC(=CC1)C,"InChI=1/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3",C10H16O,,,,,,BIUSXTISNNLMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.030,256-152-5,43222-48-6,"1,2-dimethyl-3,5-diphenylpyrazolium methylsulphate","1,2-dimethyl-3,5-diphenyl-1H-pyrazol-2-ium methyl sulfate",COS(=O)(=O)[O-].C[n+]1c(cc(c2ccccc2)n1C)c3ccccc3,COS(=O)(=O)[O-].C[n+]1c(cc(c2ccccc2)n1C)c3ccccc3,"InChI=1/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C17H17N2.CH3O4S,,,,,,XQEMNBNCQVQXMO-UHFFFAOYSA-M,,,,,,,,,,,
100.054.133,259-566-4,55289-35-5,2-bromo-6-nitrotoluene,1-bromo-2-methyl-3-nitrobenzene,Cc1c(Br)cccc1[N+](=O)[O-],Cc1c(Br)cccc1[N+](=O)[O-],"InChI=1/C7H6BrNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3",C7H6BrNO2,,,,,,LYTNSGFSAXWBCA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.134,259-568-5,55289-36-6,3-bromo-o-toluidine,3-bromo-2-methylaniline,Cc1c(N)cccc1Br,Cc1c(N)cccc1Br,"InChI=1/C7H8BrN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3",C7H8BrN,,,,,,IILVSKMKMOJHMA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.136,259-570-6,55290-05-6,"4,4'-ethylenebis[N-(4-methoxybenzylidene)aniline]","4,4'-ethane-1,2-diylbis[N-(4-methoxybenzylidene)aniline]",COc4ccc(C=Nc3ccc(CCc2ccc(N=Cc1ccc(OC)cc1)cc2)cc3)cc4,COc4ccc(C=Nc3ccc(CCc2ccc(N=Cc1ccc(OC)cc1)cc2)cc3)cc4,"InChI=1/C30H28N2O2/c1-33-29-17-9-25(10-18-29)21-31-27-13-5-23(6-14-27)3-4-24-7-15-28(16-8-24)32-22-26-11-19-30(34-2)20-12-26/h5-22H,3-4H2,1-2H3",C30H28N2O2,,,,,,FOSOJOKQJFZOKV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.137,259-571-1,55290-62-5,"4-[(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]-N-(2-ethylhexyl)benzenesulphonamide","4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-N-(2-ethylhexyl)benzenesulfonamide",CCC(CCCC)CNS(=O)(=O)c1ccc(cc1)N=N/C2=C(\\O)N(CCCC)C(=O)C(/C#N)=C2/C,CCC(CCCC)CNS(=O)(=O)c1ccc(cc1)N=N/C2=C(\O)N(CCCC)C(=O)C(/C#N)=C2/C,"InChI=1/C25H35N5O4S/c1-5-8-10-19(7-3)17-27-35(33,34)21-13-11-20(12-14-21)28-29-23-18(4)22(16-26)24(31)30(25(23)32)15-9-6-2/h11-14,19,27,32H,5-10,15,17H2,1-4H3",C25H35N5O4S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16345,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.137,GRIJBPAOIJBRSI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.138,259-572-7,55290-64-7,"2,3-dihydro-5,6-dimethyl-1,4-dithiin 1,1,4,4-tetraoxide","5,6-dimethyl-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide",CC1=C(C)S(=O)(=O)CCS1(=O)=O,CC1=C(C)S(=O)(=O)CCS1(=O)=O,"InChI=1/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3",C6H10O4S2,,,,,,PHVNLLCAQHGNKU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.140,259-574-8,55294-31-0,"[1-(3,4-dichlorophenyl)ethyl]hydrazine","[1-(3,4-dichlorophenyl)ethyl]hydrazine",CC(NN)c1ccc(Cl)c(Cl)c1,CC(NN)c1ccc(Cl)c(Cl)c1,"InChI=1/C8H10Cl2N2/c1-5(12-11)6-2-3-7(9)8(10)4-6/h2-5,12H,11H2,1H3",C8H10Cl2N2,,,,,,ZHVMMRGELMHLJB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.141,259-575-3,55296-90-7,3-[[4-[(5-nitrothiazol-2-yl)azo]phenyl](3-phenylpropyl)amino]propiononitrile,"3-[{4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}(3-phenylpropyl)amino]propanenitrile",N#CCCN(CCCc1ccccc1)c2ccc(cc2)N=Nc3ncc(s3)[N+]([O-])=O,N#CCCN(CCCc1ccccc1)c2ccc(cc2)N=Nc3ncc(s3)[N+]([O-])=O,"InChI=1/C21H20N6O2S/c22-13-5-15-26(14-4-8-17-6-2-1-3-7-17)19-11-9-18(10-12-19)24-25-21-23-16-20(30-21)27(28)29/h1-3,6-7,9-12,16H,4-5,8,14-15H2",C21H20N6O2S,,,,,,FOQLIEMCOIMRME-UHFFFAOYSA-N,,,,,,,,,,,
100.054.144,259-579-5,55296-95-2,"N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide","N-{2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl}acetamide",[O-][N+](=O)c3cc(cc(C#N)c3N=Nc1ccc(cc1NC(C)=O)N(CC)CCCc2ccccc2)[N+]([O-])=O,[O-][N+](=O)c3cc(cc(C#N)c3N=Nc1ccc(cc1NC(C)=O)N(CC)CCCc2ccccc2)[N+]([O-])=O,"InChI=1/C26H25N7O5/c1-3-31(13-7-10-19-8-5-4-6-9-19)21-11-12-23(24(15-21)28-18(2)34)29-30-26-20(17-27)14-22(32(35)36)16-25(26)33(37)38/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,28,34)",C26H25N7O5,,,,,,CYYCCUUGSBQUBI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.380,253-235-8,36840-85-4,"1,5-pentanediyl diacrylate","pentane-1,5-diyl bisacrylate",C=CC(=O)OCCCCCOC(=O)C=C,C=CC(=O)OCCCCCOC(=O)C=C,"InChI=1/C11H16O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2/h3-4H,1-2,5-9H2",C11H16O4,,,,,,XAMCLRBWHRRBCN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.385,253-241-0,36854-57-6,2-phenylbutyryl chloride,2-phenylbutanoyl chloride,CCC(C(=O)Cl)c1ccccc1,CCC(C(=O)Cl)c1ccccc1,"InChI=1/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",C10H11ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16575,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.385,QGXMHCMPIAYMGT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.390,253-246-8,36873-45-7,Ethyl 2-formylpent-4-en-1-oate,ethyl 2-formylpent-4-enoate,CCOC(=O)C(CC=C)C=O,CCOC(=O)C(CC=C)C=O,"InChI=1/C8H12O3/c1-3-5-7(6-9)8(10)11-4-2/h3,6-7H,1,4-5H2,2H3",C8H12O3,,,,,,YUPFMQXKQATEPA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.204,255-243-7,41157-58-8,Barium bis(p-nonylphenolate),barium bis(4-nonylphenolate),[Ba+2].CCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCc2ccc([O-])cc2,[Ba+2].CCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCc2ccc([O-])cc2,"InChI=1/2C15H24O.Ba/c2*1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;/h2*10-13,16H,2-9H2,1H3;/q;;+2/p-2",C15H24O.1/2Ba,,,,,,WUJZPTPSNSHTAZ-UHFFFAOYSA-L,,,,,,,,,,,
100.050.207,255-246-3,41175-45-5,"2,3,6,7,10,11-hexahydro-1H,5H-cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one","2,3,6,7,10,11-hexahydro-1H,5H-cyclopenta[4,5]pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12(9H)-one",O=C1Oc2c3CCCN4CCCc(cc2C5=C1CCC5)c34,O=C1Oc2c3CCCN4CCCc(cc2C5=C1CCC5)c34,"InChI=1/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2",C18H19NO2,,,,,,LLSRPENMALNOFW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.208,255-247-9,41175-50-2,"2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-8-ol","2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol",Oc1ccc2CCCN3CCCc1c23,Oc1ccc2CCCN3CCCc1c23,"InChI=1/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2",C12H15NO,,,,,,FOFUWJNBAQJABO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.210,255-250-5,41184-20-7,"Disodium aniline-2,5-disulphonate","disodium 2-aminobenzene-1,4-disulfonate",[Na+].[Na+].Nc1cc(ccc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(ccc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H7NO6S2.2Na/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13;;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2",C6H7NO6S2.2Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5982,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.210,QYUDDCLXBAJUNA-UHFFFAOYSA-L,,,,,,,,,,,
100.050.213,255-253-1,41195-90-8,"1,2-dichloro-3-isocyanatobenzene","1,2-dichloro-3-isocyanatobenzene",Clc1cccc(N=C=O)c1Cl,Clc1cccc(N=C=O)c1Cl,InChI=1/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H,C7H3Cl2NO,,,,,,FYWJWWMKCARWQG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.219,255-259-4,41200-97-9,"1,5-dichloro-2-(1-methylethoxy)-4-nitrobenzene","1,5-dichloro-2-isopropoxy-4-nitrobenzene",CC(C)Oc1cc(c(Cl)cc1Cl)[N+](=O)[O-],CC(C)Oc1cc(c(Cl)cc1Cl)[N+](=O)[O-],"InChI=1/C9H9Cl2NO3/c1-5(2)15-9-4-8(12(13)14)6(10)3-7(9)11/h3-5H,1-2H3",C9H9Cl2NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11238,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.219,USZMRJRYGHZJID-UHFFFAOYSA-N,,,,,,,,,,,
100.050.220,255-261-5,41201-58-5,5-fluoro-2-methylindan-1-one,5-fluoro-2-methylindan-1-one,CC1Cc2cc(F)ccc2C1=O,CC1Cc2cc(F)ccc2C1=O,"InChI=1/C10H9FO/c1-6-4-7-5-8(11)2-3-9(7)10(6)12/h2-3,5-6H,4H2,1H3",C10H9FO,,,,,,HMJXQEIMQBPTHN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.227,255-268-3,41219-16-3,"2,3,4-trimethoxybenzylamine","1-(2,3,4-trimethoxyphenyl)methanamine",COc1ccc(CN)c(OC)c1OC,COc1ccc(CN)c(OC)c1OC,"InChI=1/C10H15NO3/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3",C10H15NO3,,,,,,QWZMCOACPDTUIO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.228,255-269-9,41225-90-5,"1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuryl]ethan-1-one","1-{6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}ethanone",COc1c(OCCN(C)C)c(C(=O)C)c(OC)c2ccoc12,COc1c(OCCN(C)C)c(C(=O)C)c(OC)c2ccoc12,"InChI=1/C16H21NO5/c1-10(18)12-13(19-4)11-6-8-21-14(11)16(20-5)15(12)22-9-7-17(2)3/h6,8H,7,9H2,1-5H3",C16H21NO5,,,,,,KDDOADRHLRPEJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.242,255-285-6,41267-76-9,"2,3,6,7-tetrahydro-9-methyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one","9-methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one",CC1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34,CC1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34,"InChI=1/C16H17NO2/c1-10-8-14(18)19-16-12-5-3-7-17-6-2-4-11(15(12)17)9-13(10)16/h8-9H,2-7H2,1H3",C16H17NO2,,,,,,XHXMPURWMSJENN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.244,255-287-7,41270-80-8,Methyl 2-(formylamino)benzoate,methyl 2-formamidobenzoate,COC(=O)c1ccccc1NC=O,COC(=O)c1ccccc1NC=O,"InChI=1/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)",C9H9NO3,,,,,,HRNPZFOYXWWMFL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.763,259-159-1,54419-21-5,"3',4'-dimethoxybutyrophenone","1-(3,4-dimethoxyphenyl)butan-1-one",CCCC(=O)c1ccc(OC)c(OC)c1,CCCC(=O)c1ccc(OC)c(OC)c1,"InChI=1/C12H16O3/c1-4-5-10(13)9-6-7-11(14-2)12(8-9)15-3/h6-8H,4-5H2,1-3H3",C12H16O3,,,,,,VMDUYDPNEDZGBN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.764,259-160-7,54423-67-5,Vinyl neononanoate,"vinyl 6,6-dimethylheptanoate",CC(C)(C)CCCCC(=O)OC=C,CC(C)(C)CCCCC(=O)OC=C,"InChI=1/C11H20O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h5H,1,6-9H2,2-4H3",C11H20O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15914,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.764,WBZPMFHFKXZDRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.689,252-474-5,35268-49-6,"4,4'-bipyridine hydrochloride","4,4'-bipyridine hydrochloride",Cl.c1cc(ccn1)c2ccncc2,Cl.c1cc(ccn1)c2ccncc2,InChI=1/C10H8N2.ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;/h1-8H;1H,C10H8N2.xClH,,,,,,IWTBDTOUIWDGSP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.691,252-476-6,35271-60-4,"4-chloro-2,5-diethoxyaniline","4-chloro-2,5-diethoxyaniline",CCOc1cc(Cl)c(OCC)cc1N,CCOc1cc(Cl)c(OCC)cc1N,"InChI=1/C10H14ClNO2/c1-3-13-9-6-8(12)10(14-4-2)5-7(9)11/h5-6H,3-4,12H2,1-2H3",C10H14ClNO2,,,,,,QKRGVQSQFKCZEC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.694,252-479-2,35275-39-9,"(cis)-4a,5,6,7,8,8a-hexahydro-3,4a,5,5,8a-pentamethylnaphthalene-2(1H)-one","3,4a,5,5,8a-pentamethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one",CC1=C[C@@]2(C)C(C)(C)CCC[C@@]2(C)CC1=O,CC1=C[C@@]2(C)C(C)(C)CCC[C@@]2(C)CC1=O,"InChI=1/C15H24O/c1-11-9-15(5)13(2,3)7-6-8-14(15,4)10-12(11)16/h9H,6-8,10H2,1-5H3",C15H24O,,,,,,RLXROWVGHRKLQF-GJZGRUSLSA-N,,,,,,,,,,,
100.047.710,252-497-0,35295-36-4,"p-(1,1,2,2-tetrafluoroethoxy)benzaldehyde","4-(1,1,2,2-tetrafluoroethoxy)benzaldehyde",FC(F)C(F)(F)Oc1ccc(C=O)cc1,FC(F)C(F)(F)Oc1ccc(C=O)cc1,"InChI=1/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-6(5-14)2-4-7/h1-5,8H",C9H6F4O2,,,,,,ZTBIQWAGWYPSHC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.713,252-500-5,35302-16-0,"N,N'-di-tert-butyl-6-(diethylamino)-1,3,5-triazine-2,4-disulphenamide","4,6-bis[(tert-butylamino)sulfanyl]-N,N-diethyl-1,3,5-triazin-2-amine",CCN(CC)c1nc(SNC(C)(C)C)nc(SNC(C)(C)C)n1,CCN(CC)c1nc(SNC(C)(C)C)nc(SNC(C)(C)C)n1,"InChI=1/C15H30N6S2/c1-9-21(10-2)11-16-12(22-19-14(3,4)5)18-13(17-11)23-20-15(6,7)8/h19-20H,9-10H2,1-8H3",C15H30N6S2,,,,,,TZMRQBUUKHDXFH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.718,252-505-2,35308-00-0,4-methoxyacridin-9(10H)-one,4-methoxyacridin-9(10H)-one,COc1cccc2C(=O)c3ccccc3Nc12,COc1cccc2C(=O)c3ccccc3Nc12,"InChI=1/C14H11NO2/c1-17-12-8-4-6-10-13(12)15-11-7-3-2-5-9(11)14(10)16/h2-8H,1H3,(H,15,16)",C14H11NO2,,,,,,ZYEVJRPVZZGDRM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.719,252-506-8,35308-87-3,4-(oxiranylmethoxy)-1H-indole,4-(oxiran-2-ylmethoxy)-1H-indole,C(Oc1cccc2[nH]ccc12)C3CO3,C(Oc1cccc2[nH]ccc12)C3CO3,"InChI=1/C11H11NO2/c1-2-10-9(4-5-12-10)11(3-1)14-7-8-6-13-8/h1-5,8,12H,6-7H2",C11H11NO2,,,,,,CTWQPSSVUYPWOM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.866,254-871-9,40291-39-2,Ethyl o-tolylacetate,ethyl (2-methylphenyl)acetate,CCOC(=O)Cc1ccccc1C,CCOC(=O)Cc1ccccc1C,"InChI=1/C11H14O2/c1-3-13-11(12)8-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3",C11H14O2,,,,,,HTDQOYWJDUMNHX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.868,254-874-5,40292-22-6,4-amino-4'-isopropylbenzophenone,(4-aminophenyl)(4-isopropylphenyl)methanone,CC(C)c1ccc(cc1)C(=O)c2ccc(N)cc2,CC(C)c1ccc(cc1)C(=O)c2ccc(N)cc2,"InChI=1/C16H17NO/c1-11(2)12-3-5-13(6-4-12)16(18)14-7-9-15(17)10-8-14/h3-11H,17H2,1-2H3",C16H17NO,,,,,,LOWKEYACSTXUQV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.871,254-877-1,40305-80-4,2(or 5)-dodecyl-5(or 2)-(4-sulphophenoxy)benzenesulphonic acid,2-dodecyl-4-(4-sulfophenoxy)benzenesulfonic acid,CCCCCCCCCCCCc1cc(Oc2ccc(cc2)S(=O)(=O)O)ccc1S(=O)(=O)O,CCCCCCCCCCCCc1cc(Oc2ccc(cc2)S(=O)(=O)O)ccc1S(=O)(=O)O,"InChI=1/C24H34O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-20-19-22(15-18-24(20)33(28,29)30)31-21-13-16-23(17-14-21)32(25,26)27/h13-19H,2-12H2,1H3,(H,25,26,27)(H,28,29,30)",C24H34O7S2,,,,,,VHPYFVGYHUYYCU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.381,256-537-8,50316-92-2,"Sodium a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate","sodium cyclohexa-1,4-dien-1-yl[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate",[Na+].COC(=O)C=C(C)NC(C([O-])=O)C=1C\\C=C/CC=1,[Na+].COC(=O)C=C(C)NC(C([O-])=O)C=1C\C=C/CC=1,"InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1",C13H17NO4.Na,,,,,,XWVDGMIXJIIFTO-UHFFFAOYSA-M,,,,,,,,,,,
100.051.382,256-538-3,50318-32-6,Dimethoxymethylium hexafluorophosphate,dimethoxymethylium hexafluorophosphate,CO[CH+]OC.F[P-](F)(F)(F)(F)F,CO[CH+]OC.F[P-](F)(F)(F)(F)F,"InChI=1/C3H8O2.F6P/c1-4-3-5-2;1-7(2,3,4,5)6/h3H2,1-2H3;/q+1;-1",C3H7O2.F6P,,,,,,OOPVXEUBXZFNLN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.383,256-539-9,50321-23-8,[[2-[2-(isobutoxy)ethoxy]ethoxy]methyl]oxirane,2-{[2-(2-isobutoxyethoxy)ethoxy]methyl}oxirane,CC(C)COCCOCCOCC1CO1,CC(C)COCCOCCOCC1CO1,"InChI=1/C11H22O4/c1-10(2)7-13-5-3-12-4-6-14-8-11-9-15-11/h10-11H,3-9H2,1-2H3",C11H22O4,,,,,,YZVDZGBALSHCNY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.385,256-542-5,50325-75-2,"Piperidine-1,4-diethanol","2,2'-piperidine-1,4-diyldiethanol",OCCC1CCN(CCO)CC1,OCCC1CCN(CCO)CC1,"InChI=1/C9H19NO2/c11-7-3-9-1-4-10(5-2-9)6-8-12/h9,11-12H,1-8H2",C9H19NO2,,,,,,FYUUJRJXBDQPCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.262,253-106-6,36560-17-5,"O-(2,2-dichlorovinyl) O,O-dimethylthiophosphate","O-(2,2-dichlorovinyl) O,O-dimethyl thiophosphate",COP(=S)(OC)OC=C(Cl)Cl,COP(=S)(OC)OC=C(Cl)Cl,"InChI=1/C4H7Cl2O3PS/c1-7-10(11,8-2)9-3-4(5)6/h3H,1-2H3",C4H7Cl2O3PS,,,,,,VQUPNPYNCGPGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.264,253-108-7,36566-49-1,"2,5-O-methylene-D-mannitol","2,5-O-methylene-D-mannitol",OC[C@H]1OCO[C@H](CO)[C@@H](O)[C@@H]1O,OC[C@H]1OCO[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1/C7H14O6/c8-1-4-6(10)7(11)5(2-9)13-3-12-4/h4-11H,1-3H2",C7H14O6,,,,,,DBGKIDGPXZLFEC-DBRKOABJSA-N,,,,,,,,,,,
100.048.268,253-112-9,36577-40-9,1-(1-oxooctadecyl)-L-proline,1-stearoyl-L-proline,CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O,CCCCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O,"InChI=1/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-20-17-18-21(24)23(26)27/h21H,2-20H2,1H3,(H,26,27)",C23H43NO3,,,,,,IYWTVBWXIUJHNJ-NRFANRHFSA-N,,,,,,,,,,,
100.048.270,253-115-5,36585-12-3,2-[(2-hydroxyethyl)thio]-N-methylpropionamide,2-[(2-hydroxyethyl)sulfanyl]-N-methylpropanamide,CNC(=O)C(C)SCCO,CNC(=O)C(C)SCCO,"InChI=1/C6H13NO2S/c1-5(6(9)7-2)10-4-3-8/h5,8H,3-4H2,1-2H3,(H,7,9)",C6H13NO2S,,,,,,DCXJVTJCKCFBDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.271,253-116-0,36585-14-5,2-[(2-chloroethyl)thio]-N-methylpropionamide,2-[(2-chloroethyl)sulfanyl]-N-methylpropanamide,CNC(=O)C(C)SCCCl,CNC(=O)C(C)SCCCl,"InChI=1/C6H12ClNOS/c1-5(6(9)8-2)10-4-3-7/h5H,3-4H2,1-2H3,(H,8,9)",C6H12ClNOS,,,,,,KIMYRORYRNZWDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.274,253-119-7,36588-75-7,Ethyl a-propylcyclopentaneacetate,ethyl 2-cyclopentylpentanoate,CCCC(C1CCCC1)C(=O)OCC,CCCC(C1CCCC1)C(=O)OCC,"InChI=1/C12H22O2/c1-3-7-11(12(13)14-4-2)10-8-5-6-9-10/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,UTCCCUNOFQGWKR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.278,253-123-9,36596-55-1,Barium nonan-1-oate,barium dinonanoate,[Ba+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-],"InChI=1/2C9H18O2.Ba/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Ba,,,,,,UUWFTTWBEGHUQG-UHFFFAOYSA-L,,,,,,,,,,,
100.048.285,253-131-2,36619-33-7,"3-[2-[2-(heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethoxy]propionic acid","3-[2-(2-heptadec-1-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoic acid",OC(=O)CCOCCN1CC\\N=C1\\C=CCCCCCCCCCCCCCCC,OC(=O)CCOCCN1CC\N=C1\C=CCCCCCCCCCCCCCCC,"InChI=1/C25H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29/h16-17H,2-15,18-23H2,1H3,(H,28,29)",C25H46N2O3,,,,,,XKGFXGQLZRIOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.287,253-133-3,36622-29-4,"(-)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile","2-(3,4-dimethoxyphenyl)-5-{[2-(2,3-dimethoxyphenyl)ethyl](methyl)amino}-2-ethylpentanenitrile",CCC(CCCN(C)CCc1cccc(OC)c1OC)(C#N)c2ccc(OC)c(OC)c2,CCC(CCCN(C)CCc1cccc(OC)c1OC)(C#N)c2ccc(OC)c(OC)c2,"InChI=1/C26H36N2O4/c1-7-26(19-27,21-12-13-22(29-3)24(18-21)31-5)15-9-16-28(2)17-14-20-10-8-11-23(30-4)25(20)32-6/h8,10-13,18H,7,9,14-17H2,1-6H3",C27H38N2O4,,,,,,FTZCBMKQDCJEKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.288,253-134-9,36622-33-0,"3,4,5-trimethoxy-a-(1-methylethyl)phenylacetonitrile","3-methyl-2-(3,4,5-trimethoxyphenyl)butanenitrile",COc1cc(cc(OC)c1OC)C(C#N)C(C)C,COc1cc(cc(OC)c1OC)C(C#N)C(C)C,"InChI=1/C14H19NO3/c1-9(2)11(8-15)10-6-12(16-3)14(18-5)13(7-10)17-4/h6-7,9,11H,1-5H3",C14H19NO3,,,,,,BATQRRPXKXQYAX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.292,253-139-6,36635-35-5,"4,6-dimethylcyclohex-3-ene-1-carbaldehyde","4,6-dimethylcyclohex-3-ene-1-carbaldehyde",CC1CC(=CCC1C=O)C,CC1CC(=CCC1C=O)C,"InChI=1/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h3,6,8-9H,4-5H2,1-2H3",C9H14O,,,,,,CHVQGLOTUNUPHU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.295,253-142-2,36636-14-3,N-[3-hydroxy-4-[(methylsulphonyl)amino]phenyl]methacrylamide,N-{3-hydroxy-4-[(methylsulfonyl)amino]phenyl}-2-methylacrylamide,CC(=C)C(=O)Nc1ccc(NS(=O)(=O)C)c(O)c1,CC(=C)C(=O)Nc1ccc(NS(=O)(=O)C)c(O)c1,"InChI=1/C11H14N2O4S/c1-7(2)11(15)12-8-4-5-9(10(14)6-8)13-18(3,16)17/h4-6,13-14H,1H2,2-3H3,(H,12,15)",C11H14N2O4S,,,,,,HRBJBJSKLARFRA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.301,253-149-0,36653-82-4,Hexadecan-1-ol,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCO,"InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",C16H34O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15942,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.301,BXWNKGSJHAJOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.931,252-740-0,35826-59-6,Methyl 4-(1-methylethoxy)benzoate,methyl 4-isopropoxybenzoate,COC(=O)c1ccc(OC(C)C)cc1,COC(=O)c1ccc(OC(C)C)cc1,"InChI=1/C11H14O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h4-8H,1-3H3",C11H14O3,,,,,,ROEMZKPINYTSKV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.933,252-742-1,35834-26-5,Rosaramicin,"3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside",CCC1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\\C=C\\[C@]3(C)OC3C1C,CCC1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@]3(C)OC3C1C,"InChI=1/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3",C31H51NO9,,,,,,IUPCWCLVECYZRV-DIPWYQAOSA-N,,,,,,,,,,,
100.054.150,259-585-8,55304-75-1,"2,6-dichloro-3-(trifluoromethyl)pyridine","2,6-dichloro-3-(trifluoromethyl)pyridine",FC(F)(F)c1ccc(Cl)nc1Cl,FC(F)(F)c1ccc(Cl)nc1Cl,"InChI=1/C6H2Cl2F3N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H",C6H2Cl2F3N,,,,,,UPWAAFFFSGQECJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.151,259-586-3,55306-04-2,"ß-D-glucopyranosyl (2a,3ß,4ß,19a)-2,3,19,23-tetrahydroxyolean-12-en-28-oate","1-O-(2,3,19,23-tetrahydroxy-28-oxoolean-12-en-28-yl)-beta-D-glucopyranose",CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O,"InChI=1/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3",C36H58O11,,,,,,CMZFNIMQBCBHEX-APNSOIJXSA-N,,,,,,,,,,,
100.054.152,259-587-9,55310-46-8,Sodium dibenzyldithiocarbamate,sodium dibenzyldithiocarbamate,[Na+].[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2,[Na+].[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2,"InChI=1/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1",C15H15NS2.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2106,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.152,MYCPTMLDBVIIES-UHFFFAOYSA-M,,,,,,,,,,,
100.054.153,259-588-4,55314-57-3,Ethyl pent-2-yn-1-oate,ethyl pent-2-ynoate,CCOC(=O)C#CCC,CCOC(=O)C#CCC,"InChI=1/C7H10O2/c1-3-5-6-7(8)9-4-2/h3-4H2,1-2H3",C7H10O2,,,,,,XDPRPKSTFBPPHU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.154,259-590-5,55322-91-3,"(19a)-3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium chloride","methyl 19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium-16-carboxylate",COC(=O)C1=COC(C)C2C[n+]3ccc4c5ccccc5[nH]c4c3CC12,COC(=O)C1=COC(C)C2C[n+]3ccc4c5ccccc5[nH]c4c3CC12,"InChI=1/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1",C21H21N2O3.Cl,,,,,,WYTGDNHDOZPMIW-UHFFFAOYSA-O,,,,,,,,,,,
100.054.155,259-591-0,55324-97-5,6-amino-6-deoxy-D-glucose hydrochloride,6-amino-6-deoxy-D-glucose hydrochloride,Cl.NC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,Cl.NC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C6H13NO5.ClH/c7-1-3(9)5(11)6(12)4(10)2-8;/h2-6,9-12H,1,7H2;1H",C6H13NO5.ClH,,,,,,QWHLASPBRRZDEV-VFQQELCFSA-N,,,,,,,,,,,
100.054.158,259-594-7,55329-37-8,"Disodium 1-amino-4-[(3-amino-2-methyl-5-sulphonatophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(3-amino-2-methyl-5-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1c(N)cc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Cc1c(N)cc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C21H17N3O8S2.2Na/c1-9-13(22)6-10(33(27,28)29)7-14(9)24-15-8-16(34(30,31)32)19(23)18-17(15)20(25)11-4-2-3-5-12(11)21(18)26;;/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C21H17N3O8S2.2Na,,,,,,DLCOGSDEATYYSN-UHFFFAOYSA-L,,,,,,,,,,,
100.054.171,259-608-1,55348-89-5,8-aminooct-4-enoic acid,8-aminooct-4-enoic acid,OC(=O)CCC=CCCCN,OC(=O)CCC=CCCCN,"InChI=1/C8H15NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-2H,3-7,9H2,(H,10,11)",C8H15NO2,,,,,,VIBUBBGZNCHOEE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.678,259-065-0,54288-02-7,"5-phenylazopyrimidine-4,6-diamine","5-(phenyldiazenyl)pyrimidine-4,6-diamine",Nc2ncnc(N)c2N=Nc1ccccc1,Nc2ncnc(N)c2N=Nc1ccccc1,"InChI=1/C10H10N6/c11-9-8(10(12)14-6-13-9)16-15-7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)",C10H10N6,,,,,,SNBUOLJXURTGNE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.679,259-066-6,54288-69-6,2-(chloromethyl)-1-methylpyrrolidinium chloride,2-(chloromethyl)-1-methylpyrrolidinium chloride,[Cl-].C[NH+]1CCCC1CCl,[Cl-].C[NH+]1CCCC1CCl,"InChI=1/C6H12ClN.ClH/c1-8-4-2-3-6(8)5-7;/h6H,2-5H2,1H3;1H",C6H12ClN.ClH,,,,,,JMYYNTRVGBDWDB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.680,259-067-1,54288-95-8,"1,3-dibromonaphthalen-2-amine","1,3-dibromonaphthalen-2-amine",Nc1c(Br)cc2ccccc2c1Br,Nc1c(Br)cc2ccccc2c1Br,"InChI=1/C10H7Br2N/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H,13H2",C10H7Br2N,,,,,,QXQLGCVWRCXDKS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.681,259-068-7,54288-96-9,"N-(1,3-dibromo-2-naphthyl)-p-toluenesulphonamide","N-(1,3-dibromo-2-naphthyl)-4-methylbenzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)Nc2c(Br)cc3ccccc3c2Br,Cc1ccc(cc1)S(=O)(=O)Nc2c(Br)cc3ccccc3c2Br,"InChI=1/C17H13Br2NO2S/c1-11-6-8-13(9-7-11)23(21,22)20-17-15(18)10-12-4-2-3-5-14(12)16(17)19/h2-10,20H,1H3",C17H13Br2NO2S,,,,,,UVAKNVUPXFGEIM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.696,259-084-4,54305-98-5,"1,1,3-triethoxyoctane","1,1,3-triethoxyoctane",CCCCCC(CC(OCC)OCC)OCC,CCCCCC(CC(OCC)OCC)OCC,"InChI=1/C14H30O3/c1-5-9-10-11-13(15-6-2)12-14(16-7-3)17-8-4/h13-14H,5-12H2,1-4H3",C14H30O3,,,,,,QDAWTKVMQPNMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.699,259-088-6,54306-27-3,"4-nitrophenyl dihydrogen phosphate, sodium salt",-,[Na+].OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-],[Na+].OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H6NO6P.Na/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;/h1-4H,(H2,10,11,12);/q;+1",C6H6NO6P.xNa,,,,,,RUYANEADGUFWRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.768,259-164-9,54439-51-9,Potassium 2-hexyldecanoate,potassium 2-hexyldecanoate,[K+].CCCCCCCCC(CCCCCC)C(=O)[O-],[K+].CCCCCCCCC(CCCCCC)C(=O)[O-],"InChI=1/C16H32O2.K/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2;/h15H,3-14H2,1-2H3,(H,17,18);/q;+1/p-1",C16H32O2.K,,,,,,YDHKPQHNLJFGFB-UHFFFAOYSA-M,,,,,,,,,,,
100.053.780,259-178-5,54476-55-0,p-tolylhydrazinium sulphate,bis[(4-methylphenyl)diazanium] sulfate,Cc1ccc([NH2+]N)cc1.Cc2ccc([NH2+]N)cc2.[O-]S(=O)(=O)[O-],Cc1ccc([NH2+]N)cc1.Cc2ccc([NH2+]N)cc2.[O-]S(=O)(=O)[O-],"InChI=1/2C7H10N2.H2O4S/c2*1-6-2-4-7(9-8)5-3-6;1-5(2,3)4/h2*2-5,9H,8H2,1H3;(H2,1,2,3,4)",C7H10N2.H2O4S,,,,,,CIANLKXCZQDEKV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.781,259-179-0,54478-82-9,Benzenediazonium hydroxide,benzenediazonium hydroxide,[OH-].N#[N+]c1ccccc1,[OH-].N#[N+]c1ccccc1,InChI=1/C6H5N2.H2O/c7-8-6-4-2-1-3-5-6;/h1-5H;1H2/q+1;/p-1,C6H5N2.HO,,,,,,BKRVBNFYMHEPCJ-UHFFFAOYSA-M,,,,,,,,,,,
100.053.783,259-181-1,54481-26-4,"Diethyl 2,2'-dithiobisbenzoate","diethyl 2,2'-disulfanediyldibenzoate",CCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCC,CCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCC,"InChI=1/C18H18O4S2/c1-3-21-17(19)13-9-5-7-11-15(13)23-24-16-12-8-6-10-14(16)18(20)22-4-2/h5-12H,3-4H2,1-2H3",C18H18O4S2,,,,,,RUOMYSSJJNEDSR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.789,259-187-4,54502-37-3,2-ethylbutyric anhydride,2-ethylbutanoic anhydride,CCC(CC)C(=O)OC(=O)C(CC)CC,CCC(CC)C(=O)OC(=O)C(CC)CC,"InChI=1/C12H22O3/c1-5-9(6-2)11(13)15-12(14)10(7-3)8-4/h9-10H,5-8H2,1-4H3",C12H22O3,,,,,,YCURDTPXHPXCKH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.792,259-191-6,54504-70-0,Etofylline clofibrate,"2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate",CN1C(=O)N(C)c2ncn(CCOC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2C1=O,CN1C(=O)N(C)c2ncn(CCOC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2C1=O,"InChI=1/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3",C19H21ClN4O5,,,,,,KYAKGJDISSNVPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.794,259-193-7,54512-75-3,1-bromo-5-chloropentane,1-bromo-5-chloropentane,ClCCCCCBr,ClCCCCCBr,InChI=1/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2,C5H10BrCl,,,,,,PHHNNDKXQVKJEP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.989,253-907-0,38370-68-2,"Butyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate","butyl octadeca-9,12,15-trienoate",CCCCOC(=O)CCCCCCC\\C=C/C\\C=C/C\\C=C/CC,CCCCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h5,7,9-10,12-13H,3-4,6,8,11,14-21H2,1-2H3",C22H38O2,,,,,,QQNROWCMALTXCD-XQOKXTRKSA-N,,,,,,,,,,,
100.048.993,253-911-2,38396-39-3,"(±)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide","1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide",CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C,CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C,"InChI=1/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)",C18H28N2O,,,,,,LEBVLXFERQHONN-UHFFFAOYSA-N,Positive,EQ330501|EQ330502|EQ330503|EQ330504|EQ330505|EQ330506,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,289.2274:140.1433:84.0808|140.1434:289.2275:150.0913|140.1435:98.0965:84.0808|140.1435:98.0964:84.0808|140.1434:84.0808:98.0964|84.0808:140.1434:98.0965,Eawag,,,,,
100.048.997,253-915-4,38410-12-7,Tetraethylammonium formate,"N,N,N-triethylethanaminium formate",CC[N+](CC)(CC)CC.[O-]C=O,CC[N+](CC)(CC)CC.[O-]C=O,"InChI=1/C8H20N.CH2O2/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;1H,(H,2,3)/q+1;/p-1",C8H20N.CHO2,,,,,,DDDVBYGLVAHHCD-UHFFFAOYSA-M,,,,,,,,,,,
100.050.501,255-571-0,41865-30-9,"3,7-dimethylnona-2,6-dien-1-ol","3,7-dimethylnona-2,6-dien-1-ol",CC(CC)=CCCC(C)=CCO,CC(CC)=CCCC(C)=CCO,"InChI=1/C11H20O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8,12H,4-5,7,9H2,1-3H3",C11H20O,,,,,,ZEUWCZMRCKECEG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.504,255-574-7,41890-92-0,"7-methoxy-3,7-dimethyloctan-2-ol","7-methoxy-3,7-dimethyloctan-2-ol",COC(C)(C)CCCC(C)C(C)O,COC(C)(C)CCCC(C)C(C)O,"InChI=1/C11H24O2/c1-9(10(2)12)7-6-8-11(3,4)13-5/h9-10,12H,6-8H2,1-5H3",C11H24O2,,,,,,ZJVRYPHKSDHLTC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.506,255-576-8,41891-88-7,2-(decylthio)ethanol,2-(decylsulfanyl)ethanol,CCCCCCCCCCSCCO,CCCCCCCCCCSCCO,"InChI=1/C12H26OS/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h13H,2-12H2,1H3",C12H26OS,,,,,,MWVYOMQTCFCPHY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.508,255-578-9,41892-01-7,(3-chloro-2-hydroxypropyl)dodecyldimethylammonium chloride,"N-(3-chloro-2-hydroxypropyl)-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CCl,[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CCl,"InChI=1/C17H37ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-19(2,3)16-17(20)15-18;/h17,20H,4-16H2,1-3H3;1H/q+1;/p-1",C17H37ClNO.Cl,,,,,,JTTBZVHEXMQSMM-UHFFFAOYSA-M,,,,,,,,,,,
100.050.509,255-579-4,41892-42-6,2-[(chlorocarbonyl)oxy]ethyl acrylate,2-[(chlorocarbonyl)oxy]ethyl acrylate,ClC(=O)OCCOC(=O)C=C,ClC(=O)OCCOC(=O)C=C,"InChI=1/C6H7ClO4/c1-2-5(8)10-3-4-11-6(7)9/h2H,1,3-4H2",C6H7ClO4,,,,,,PBTDMHUAEDVFPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.513,255-584-1,41906-71-2,"1,3-dimethyl-1-(2-methyl-2-phenylpropyl)-3-phenylindan","1,3-dimethyl-1-(2-methyl-2-phenylpropyl)-3-phenylindane",CC(C)(CC1(C)CC(C)(c2ccccc2)c3ccccc13)c4ccccc4,CC(C)(CC1(C)CC(C)(c2ccccc2)c3ccccc13)c4ccccc4,"InChI=1/C27H30/c1-25(2,21-13-7-5-8-14-21)19-26(3)20-27(4,22-15-9-6-10-16-22)24-18-12-11-17-23(24)26/h5-18H,19-20H2,1-4H3",C27H30,,,,,,UXZZHVLZNFQJMN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.391,256-548-8,50329-34-5,"O,O-diisopropyl hydrogen dithiophosphate, compound with cyclohexylamine (1:1)","O,O-diisopropyl hydrogen dithiophosphate - cyclohexanamine (1:1)",CC(C)OP(=S)(S)OC(C)C.NC1CCCCC1,CC(C)OP(=S)(S)OC(C)C.NC1CCCCC1,"InChI=1/C6H13N.C6H15O2PS2/c7-6-4-2-1-3-5-6;1-5(2)7-9(10,11)8-6(3)4/h6H,1-5,7H2;5-6H,1-4H3,(H,10,11)",C6H15O2PS2.C6H13N,,,,,,XREHAPPUJFRKEM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.038,256-160-9,44641-39-6,"2,4-dichloro-3-hydroxybutyraldehyde","2,4-dichloro-3-hydroxybutanal",OC(CCl)C(Cl)C=O,OC(CCl)C(Cl)C=O,"InChI=1/C4H6Cl2O2/c5-1-4(8)3(6)2-7/h2-4,8H,1H2",C4H6Cl2O2,,,,,,UYQSFAFDOTVORC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.041,256-164-0,44805-33-6,L-ornithine monohydrobromide,L-ornithine hydrobromide,Br.NCCC[C@H](N)C(=O)O,Br.NCCC[C@H](N)C(=O)O,"InChI=1/C5H12N2O2.BrH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H",C5H12N2O2.BrH,,,,,,GWRQMKDBBHFVIZ-WCCKRBBISA-N,,,,,,,,,,,
100.051.042,256-165-6,44816-77-5,"N-(2-amino-1-methylethyl)propane-1,2-diamine","N-(2-amino-1-methylethyl)propane-1,2-diamine",CC(N)CNC(C)CN,CC(N)CNC(C)CN,"InChI=1/C6H17N3/c1-5(8)4-9-6(2)3-7/h5-6,9H,3-4,7-8H2,1-2H3",C6H17N3,,,,,,ZWSGQNNHVMWSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.043,256-166-1,44860-68-6,"2,2'-[methylenebis(thio)]bisethanol","2,2'-(methylenedisulfanediyl)diethanol",OCCSCSCCO,OCCSCSCCO,"InChI=1/C5H12O2S2/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2",C5H12O2S2,,,,,,GAECBAMNQFGJIM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.047,256-170-3,44914-03-6,2-methylbutyl acrylate,2-methylbutyl acrylate,CCC(C)COC(=O)C=C,CCC(C)COC(=O)C=C,"InChI=1/C8H14O2/c1-4-7(3)6-10-8(9)5-2/h5,7H,2,4,6H2,1,3H3",C8H14O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12730,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.047,NCTBYWFEJFTVEL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.048,256-171-9,44958-25-0,2-[(2-hydroxyethyl)amino]ethyl acetate,2-[(2-hydroxyethyl)amino]ethyl acetate,CC(=O)OCCNCCO,CC(=O)OCCNCCO,"InChI=1/C6H13NO3/c1-6(9)10-5-3-7-2-4-8/h7-8H,2-5H2,1H3",C6H13NO3,,,,,,RMOPCJOZHHOQFT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.051,256-175-0,44987-75-9,"Isopropyl hexa-2,4-dienoate","isopropyl hexa-2,4-dienoate",CC(C)OC(=O)C=CC=CC,CC(C)OC(=O)C=CC=CC,"InChI=1/C9H14O2/c1-4-5-6-7-9(10)11-8(2)3/h4-8H,1-3H3",C9H14O2,,,,,,PERLTXCUPZSJTA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.052,256-176-6,44992-01-0,[2-(acryloyloxy)ethyl]trimethylammonium chloride,"2-(acryloyloxy)-N,N,N-trimethylethanaminium chloride",[Cl-].C[N+](C)(C)CCOC(=O)C=C,[Cl-].C[N+](C)(C)CCOC(=O)C=C,"InChI=1/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1",C8H16NO2.Cl,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14693,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.052,FZGFBJMPSHGTRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.051.053,256-177-1,44995-78-0,"3,3'-oxydipropionyl dichloride","3,3'-oxydipropanoyl chloride",ClC(=O)CCOCCC(=O)Cl,ClC(=O)CCOCCC(=O)Cl,InChI=1/C6H8Cl2O3/c7-5(9)1-3-11-4-2-6(8)10/h1-4H2,C6H8Cl2O3,,,,,,NKUWMUPDQZUXAW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.054,256-178-7,45014-14-0,N-[vinyloxycarbonyl]-L-serine,N-[(vinyloxy)carbonyl]-L-serine,OC[C@H](NC(=O)OC=C)C(=O)O,OC[C@H](NC(=O)OC=C)C(=O)O,"InChI=1/C6H9NO5/c1-2-12-6(11)7-4(3-8)5(9)10/h2,4,8H,1,3H2,(H,7,11)(H,9,10)",C6H9NO5,,,,,,WRDWXTJVALMCAN-BYPYZUCNSA-N,,,,,,,,,,,
100.051.059,256-183-4,45023-48-1,2-propoxyethyl methacrylate,2-propoxyethyl methacrylate,CCCOCCOC(=O)C(=C)C,CCCOCCOC(=O)C(=C)C,"InChI=1/C9H16O3/c1-4-5-11-6-7-12-9(10)8(2)3/h2,4-7H2,1,3H3",C9H16O3,,,,,,NSIWGZFZGMIPEC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.068,256-193-9,45117-80-4,Diethylmethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"N,N-diethyl-2-(methacryloyloxy)-N-methylethanaminium chloride",[Cl-].CC[N+](C)(CC)CCOC(=O)C(=C)C,[Cl-].CC[N+](C)(CC)CCOC(=O)C(=C)C,"InChI=1/C11H22NO2.ClH/c1-6-12(5,7-2)8-9-14-11(13)10(3)4;/h3,6-9H2,1-2,4-5H3;1H/q+1;/p-1",C11H22NO2.Cl,,,,,,NDCAQOIUIIGHEU-UHFFFAOYSA-M,,,,,,,,,,,
100.051.071,256-197-0,45158-84-7,2-ethylundecanoic acid,2-ethylundecanoic acid,CCCCCCCCCC(CC)C(=O)O,CCCCCCCCCC(CC)C(=O)O,"InChI=1/C13H26O2/c1-3-5-6-7-8-9-10-11-12(4-2)13(14)15/h12H,3-11H2,1-2H3,(H,14,15)",C13H26O2,,,,,,VZOMLDYIAWPSDV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.074,256-200-5,45173-37-3,"N,N,N',N'-tetraallylethylenediamine","N,N,N',N'-tetraallylethane-1,2-diamine",C=CCN(CCN(CC=C)CC=C)CC=C,C=CCN(CCN(CC=C)CC=C)CC=C,"InChI=1/C14H24N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h5-8H,1-4,9-14H2",C14H24N2,,,,,,QJFMXJDSWJZAAL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.076,256-202-6,45180-55-0,Decyl 3-mercaptopropionate,decyl 3-sulfanylpropanoate,CCCCCCCCCCOC(=O)CCS,CCCCCCCCCCOC(=O)CCS,"InChI=1/C13H26O2S/c1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16/h16H,2-12H2,1H3",C13H26O2S,,,,,,XIZMMPKZMJWKFV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.020,252-837-8,36016-39-4,"1,1-dimethylethyl [[(2,4,6-trimethylphenyl)sulphonyl]oxy]carbamate",tert-butyl [(mesitylsulfonyl)oxy]carbamate,Cc1cc(C)c(c(C)c1)S(=O)(=O)ONC(=O)OC(C)(C)C,Cc1cc(C)c(c(C)c1)S(=O)(=O)ONC(=O)OC(C)(C)C,"InChI=1/C14H21NO5S/c1-9-7-10(2)12(11(3)8-9)21(17,18)20-15-13(16)19-14(4,5)6/h7-8H,1-6H3,(H,15,16)",C14H21NO5S,,,,,,WVMDSNGINQNHLN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.021,252-838-3,36018-09-4,"N,N'-bis(1-methyl-2-oxo-2-phenylethyl)terephthaldiamide","N,N'-bis(1-methyl-2-oxo-2-phenylethyl)terephthalamide",CC(NC(=O)c1ccc(cc1)C(=O)NC(C)C(=O)c2ccccc2)C(=O)c3ccccc3,CC(NC(=O)c1ccc(cc1)C(=O)NC(C)C(=O)c2ccccc2)C(=O)c3ccccc3,"InChI=1/C26H24N2O4/c1-17(23(29)19-9-5-3-6-10-19)27-25(31)21-13-15-22(16-14-21)26(32)28-18(2)24(30)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,27,31)(H,28,32)",C26H24N2O4,,,,,,UGVVFOIUYBMKRX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.940,252-750-5,35839-50-0,"Ammonium 2,3-dibromopropyl sulphate","ammonium 2,3-dibromopropyl sulfate",[NH4+].[O-]S(=O)(=O)OCC(Br)CBr,[NH4+].[O-]S(=O)(=O)OCC(Br)CBr,"InChI=1/C3H6Br2O4S.H3N/c4-1-3(5)2-9-10(6,7)8;/h3H,1-2H2,(H,6,7,8);1H3",C3H6Br2O4S.H3N,,,,,,NUHVPBGWGITOKW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.951,252-762-0,35853-41-9,"2,8-bis(trifluoromethyl)quinolin-4-ol","2,8-bis(trifluoromethyl)quinolin-4-ol",Oc1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F,Oc1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F,"InChI=1/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)",C11H5F6NO,,,,,,JIWHKBAFGFPZKM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.954,252-765-7,35858-81-2,Benzyl L-tryptophanate monohydrochloride,benzyl L-tryptophanate hydrochloride,Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc3ccccc3,Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc3ccccc3,"InChI=1/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H",C18H18N2O2.ClH,,,,,,DOKDMGOWZOTZRA-NTISSMGPSA-N,,,,,,,,,,,
100.047.959,252-770-4,35869-60-4,"2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium methyl sulphate","2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium methyl sulfate",CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1.COS(=O)(=O)[O-],CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1.COS(=O)(=O)[O-],"InChI=1/C22H25N3O2.CH4O4S/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;1-5-6(2,3)4/h7-14,21H,5-6H2,1-4H3;1H3,(H,2,3,4)",C22H24N3O2.CH3O4S,,,,,,WSQFYXLXDOGUIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.960,252-772-5,35869-64-8,"N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]","N,N'-(2-chloro-1,4-phenylene)bis{4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-2-naphthamide}",Clc4cc(ccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(Cl)cc2[N+]([O-])=O)c3O)NC(=O)c7cc5ccccc5c(N=Nc6ccc(Cl)cc6[N+]([O-])=O)c7O,Clc4cc(ccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(Cl)cc2[N+]([O-])=O)c3O)NC(=O)c7cc5ccccc5c(N=Nc6ccc(Cl)cc6[N+]([O-])=O)c7O,"InChI=1/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,52-53H,(H,44,54)(H,45,55)",C40H23Cl3N8O8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12110,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.960,IDISPOJSCQQBFF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.976,252-789-8,35919-71-2,"[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium hydroxide","N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydroxide",[OH-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,[OH-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,"InChI=1/C25H30N3.H2O/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H2/q+1;/p-1",C25H30N3.HO,,,,,,DTZKQLMCGDSBNI-UHFFFAOYSA-M,,,,,,,,,,,
100.051.284,256-431-1,49690-94-0,"Diphenyl ether, tribromo derivative","1,2-dibromo-4-(2-bromophenoxy)benzene",Brc1ccc(Oc2ccccc2Br)cc1Br,Brc1ccc(Oc2ccccc2Br)cc1Br,InChI=1/C12H7Br3O/c13-9-6-5-8(7-11(9)15)16-12-4-2-1-3-10(12)14/h1-7H,C12H7Br3O,,,,,,BUQBQEYUVAKJQK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.291,256-439-5,49706-31-2,N-(benzyloxycarbonyl)-L-histidinohydrazide,benzyl [2-hydrazino-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]carbamate (non-preferred name),NNC(=O)C(Cc1c[nH]cn1)NC(=O)OCc2ccccc2,NNC(=O)C(Cc1c[nH]cn1)NC(=O)OCc2ccccc2,"InChI=1/C14H17N5O3/c15-19-13(20)12(6-11-7-16-9-17-11)18-14(21)22-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,15H2,(H,16,17)(H,18,21)(H,19,20)",C14H17N5O3,,,,,,BOOAASJRVPZWJW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.292,256-440-0,49710-99-8,2'-hydroxy-5'-methoxypropiophenone,1-(2-hydroxy-5-methoxyphenyl)propan-1-one,CCC(=O)c1cc(OC)ccc1O,CCC(=O)c1cc(OC)ccc1O,"InChI=1/C10H12O3/c1-3-9(11)8-6-7(13-2)4-5-10(8)12/h4-6,12H,3H2,1-2H3",C10H12O3,,,,,,MLDZAGGFWSAWHF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.295,256-443-7,49719-55-3,Di(biguanide) sulphate,imidodicarbonimidic diamide sulfate (2:1),NC(=N)NC(=N)N.NC(=N)NC(=N)N.OS(=O)(=O)O,NC(=N)NC(=N)N.NC(=N)NC(=N)N.OS(=O)(=O)O,"InChI=1/2C2H7N5.H2O4S/c2*3-1(4)7-2(5)6;1-5(2,3)4/h2*(H7,3,4,5,6,7);(H2,1,2,3,4)",C2H7N5.1/2H2O4S,,,,,,ALAFWARLIFSVTH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.306,256-455-2,49742-68-9,2-(2-hydroxy-4-pyrrolidinylbenzoyl)benzoic acid,2-[2-(1-hydroxypyrrolidin-3-yl)benzoyl]benzoic acid,ON1CCC(C1)c2ccccc2C(=O)c3ccccc3C(=O)O,ON1CCC(C1)c2ccccc2C(=O)c3ccccc3C(=O)O,"InChI=1/C18H17NO4/c20-17(15-7-3-4-8-16(15)18(21)22)14-6-2-1-5-13(14)12-9-10-19(23)11-12/h1-8,12,23H,9-11H2,(H,21,22)",C18H17NO4,,,,,,FXPQYRWDUHLYAI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.308,256-457-3,49744-26-5,"2-(2-methoxyethoxy)ethyl 4-[(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl)azo]benzoate","2-(2-methoxyethoxy)ethyl 4-[(5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoate",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1ccc(cc1)C(=O)OCCOCCOC)=C(\\O)N2CC,O=C2C(/C#N)=C(/C)\C(\N=Nc1ccc(cc1)C(=O)OCCOCCOC)=C(\O)N2CC,"InChI=1/C21H24N4O6/c1-4-25-19(26)17(13-22)14(2)18(20(25)27)24-23-16-7-5-15(6-8-16)21(28)31-12-11-30-10-9-29-3/h5-8,27H,4,9-12H2,1-3H3",C21H24N4O6,,,,,,OTCNHXNUTUCSBE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.708,259-098-0,54322-38-2,7-[(6-deoxy-a-L-galactopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl 6-deoxy-alpha-L-galactopyranoside,C[C@@H]1O[C@@H](Oc2ccc3C(=CC(=O)Oc3c2)C)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@@H](Oc2ccc3C(=CC(=O)Oc3c2)C)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3",C16H18O7,,,,,,CQKHENXHLAUMBH-CRLRYRHBSA-N,,,,,,,,,,,
100.049.774,254-771-5,40038-00-4,Didodecylnaphthalenesulphonic acid,"2,3-didodecylnaphthalene-1-sulfonic acid",CCCCCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCCCCC)S(=O)(=O)O,CCCCCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCCCCC)S(=O)(=O)O,"InChI=1/C34H56O3S/c1-3-5-7-9-11-13-15-17-19-21-25-30-29-31-26-23-24-28-33(31)34(38(35,36)37)32(30)27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28-29H,3-22,25,27H2,1-2H3,(H,35,36,37)",C34H56O3S,,,,,,IILMIAKZFKOMTK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.777,254-774-1,40050-68-8,"Dodecahydro-3a,5,5-trimethylnaphtho[2,3-c]furan","3a,5,5-trimethyldodecahydronaphtho[2,3-c]furan",CC1(C)CCCC2CC3COCC3(C)CC12,CC1(C)CCCC2CC3COCC3(C)CC12,"InChI=1/C15H26O/c1-14(2)6-4-5-11-7-12-9-16-10-15(12,3)8-13(11)14/h11-13H,4-10H2,1-3H3",C15H26O,,,,,,JOURIHHPSQYJHO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.780,254-777-8,40058-87-5,Isopropyl 2-chloropropionate,isopropyl 2-chloropropanoate,CC(C)OC(=O)C(C)Cl,CC(C)OC(=O)C(C)Cl,"InChI=1/C6H11ClO2/c1-4(2)9-6(8)5(3)7/h4-5H,1-3H3",C6H11ClO2,,,,,,BOKVSRHWZPCJRN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.789,254-787-2,40088-47-9,"Diphenyl ether, tetrabromo derivative","1,2,3-tribromo-4-(3-bromophenoxy)benzene",Brc1cccc(Oc2ccc(Br)c(Br)c2Br)c1,Brc1cccc(Oc2ccc(Br)c(Br)c2Br)c1,InChI=1/C12H6Br4O/c13-7-2-1-3-8(6-7)17-10-5-4-9(14)11(15)12(10)16/h1-6H,C12H6Br4O,,,,,,VIHUMJGEWQPWOT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.793,254-791-4,40100-33-2,Isopropyl 3-(amino-d)isocrotonate,isopropyl 3-aminobut-2-enoate,CC(C)OC(=O)C=C(C)N,CC(C)OC(=O)C=C(C)N,"InChI=1/C7H13NO2/c1-5(2)10-7(9)4-6(3)8/h4-5H,8H2,1-3H3",C7H12DNO2,,,,,,YCKAGGHNUHZKCL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.801,254-800-1,40127-91-1,3-amino-6-(chloromethyl)pyrazinecarbonitrile,3-amino-6-(chloromethyl)pyrazine-2-carbonitrile,Nc1ncc(CCl)nc1C#N,Nc1ncc(CCl)nc1C#N,"InChI=1/C6H5ClN4/c7-1-4-3-10-6(9)5(2-8)11-4/h3H,1H2,(H2,9,10)",C6H5ClN4,,,,,,DFKLUMFIWPTGHP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.803,254-802-2,40130-97-0,2-chloro-5-methyl-4-nitrophenol,2-chloro-5-methyl-4-nitrophenol,Cc1cc(O)c(Cl)cc1[N+](=O)[O-],Cc1cc(O)c(Cl)cc1[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-4-2-7(10)5(8)3-6(4)9(11)12/h2-3,10H,1H3",C7H6ClNO3,,,,,,VCVRNVYZNFWSOU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.806,254-805-9,40134-18-7,Methyl 2-chloronicotinate,methyl 2-chloronicotinate,COC(=O)c1cccnc1Cl,COC(=O)c1cccnc1Cl,"InChI=1/C7H6ClNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3",C7H6ClNO2,,,,,,MYGAJZBZLONIBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.814,254-814-8,40160-26-7,1-[2-(trifluoromethyl)phenyl]piperazinium chloride,1-[2-(trifluoromethyl)phenyl]piperazin-1-ium chloride,[Cl-].FC(F)(F)c1ccccc1[NH+]2CCNCC2,[Cl-].FC(F)(F)c1ccccc1[NH+]2CCNCC2,"InChI=1/C11H13F3N2.ClH/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16;/h1-4,15H,5-8H2;1H",C11H13F3N2.ClH,,,,,,OKQSPACLVSNVBL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.822,254-823-7,40172-95-0,1-(2-furoyl)piperazine,1-(2-furoyl)piperazine,O=C(N1CCNCC1)c2occc2,O=C(N1CCNCC1)c2occc2,"InChI=1/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2",C9H12N2O2,,,,,,SADPINFEWFPMEA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.823,254-824-2,40178-22-1,"(2,4-dichloro-5-isopropoxyphenyl)hydrazine","(2,4-dichloro-5-isopropoxyphenyl)hydrazine",CC(C)Oc1cc(NN)c(Cl)cc1Cl,CC(C)Oc1cc(NN)c(Cl)cc1Cl,"InChI=1/C9H12Cl2N2O/c1-5(2)14-9-4-8(13-12)6(10)3-7(9)11/h3-5,13H,12H2,1-2H3",C9H12Cl2N2O,,,,,,GWHQKTAGVTYTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.825,254-826-3,40180-04-9,Tienilic acid,"[2,3-dichloro-4-(2-thienylcarbonyl)phenoxy]acetic acid",OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,"InChI=1/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)",C13H8Cl2O4S,,,,,,AGHANLSBXUWXTB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.833,254-835-2,40199-73-3,Sodium N-(2-hydroxydodecyl)-N-methyl-ß-alaninate,sodium 3-[(2-hydroxydodecyl)(methyl)amino]propanoate,[Na+].CCCCCCCCCCC(O)CN(C)CCC(=O)[O-],[Na+].CCCCCCCCCCC(O)CN(C)CCC(=O)[O-],"InChI=1/C16H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-15(18)14-17(2)13-12-16(19)20;/h15,18H,3-14H2,1-2H3,(H,19,20);/q;+1/p-1",C16H33NO3.Na,,,,,,PFMWIRSJNXEHRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.049.834,254-836-8,40200-18-8,6-chlorohexyl acetate,6-chlorohexyl acetate,CC(=O)OCCCCCCCl,CC(=O)OCCCCCCCl,"InChI=1/C8H15ClO2/c1-8(10)11-7-5-3-2-4-6-9/h2-7H2,1H3",C8H15ClO2,,,,,,AHEBJCQIQYFSGF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.835,254-837-3,40203-73-4,Methyl cyclopentylideneacetate,methyl cyclopentylideneacetate,COC(=O)C=C1CCCC1,COC(=O)C=C1CCCC1,"InChI=1/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h6H,2-5H2,1H3",C8H12O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11644,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.835,ZDBCSZOFHPULAS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.521,255-593-0,41934-47-8,7-(diethylamino)-4-(trifluoromethyl)-2-benzopyrone,7-(diethylamino)-4-(trifluoromethyl)-2H-chromen-2-one,CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,"InChI=1/C14H14F3NO2/c1-3-18(4-2)9-5-6-10-11(14(15,16)17)8-13(19)20-12(10)7-9/h5-8H,3-4H2,1-2H3",C14H14F3NO2,,,,,,UIMOXRDVWDLOHW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.522,255-594-6,41935-39-1,Bis(2-phenoxyethyl) peroxydicarbonate,bis(2-phenoxyethyl) ethanediperoxoate,O=C(OOCCOc1ccccc1)C(=O)OOCCOc2ccccc2,O=C(OOCCOc1ccccc1)C(=O)OOCCOc2ccccc2,"InChI=1/C18H18O8/c19-17(25-23-13-11-21-15-7-3-1-4-8-15)18(20)26-24-14-12-22-16-9-5-2-6-10-16/h1-10H,11-14H2",C18H18O8,,,,,,AVIGRCUHSSHIQM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.524,255-596-7,41945-48-6,Sodium N-(N-choloylglycyl)taurinate,"sodium 2-{[N-(3,7,12-trihydroxy-24-oxocholan-24-yl)glycyl]amino}ethanesulfonate",[Na+].C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,[Na+].C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C28H48N2O8S.Na/c1-16(4-7-24(34)30-15-25(35)29-10-11-39(36,37)38)19-5-6-20-26-21(14-23(33)28(19,20)3)27(2)9-8-18(31)12-17(27)13-22(26)32;/h16-23,26,31-33H,4-15H2,1-3H3,(H,29,35)(H,30,34)(H,36,37,38);/q;+1/p-1",C28H48N2O8S.Na,,,,,,PUODKHBECQMSKY-QRPKJZHMSA-M,,,,,,,,,,,
100.050.528,255-600-7,41973-82-4,"Trisodium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonate","trisodium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(cc4Nc3nc(Cl)nc(OC)n3)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(cc4Nc3nc(Cl)nc(OC)n3)S([O-])(=O)=O,"InChI=1/C20H17ClN8O11S3.3Na/c1-9-16(17(30)29(28-9)10-3-5-11(6-4-10)41(31,32)33)27-26-13-8-14(42(34,35)36)12(7-15(13)43(37,38)39)22-19-23-18(21)24-20(25-19)40-2;;;/h3-8,16H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,22,23,24,25);;;/q;3*+1/p-3",C20H17ClN8O11S3.3Na,,,,,,AGFKGCBQQDZVOK-UHFFFAOYSA-K,,,,,,,,,,,
100.050.530,255-602-8,41979-39-9,4-oxopiperidinium chloride,4-oxopiperidinium chloride,[Cl-].O=C1CC[NH2+]CC1,[Cl-].O=C1CC[NH2+]CC1,"InChI=1/C5H9NO.ClH/c7-5-1-3-6-4-2-5;/h6H,1-4H2;1H",C5H9NO.ClH,,,,,,GJQNVZVOTKFLIU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.532,255-604-9,41981-72-0,"4,5-dimethyl-2-propylthiazole","4,5-dimethyl-2-propyl-1,3-thiazole",CCCc1nc(C)c(C)s1,CCCc1nc(C)c(C)s1,"InChI=1/C8H13NS/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3",C8H13NS,,,,,,VCGGTZJUUXVOOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.404,253-262-5,36897-00-4,"2,4,5-trimethoxybenzophenone","phenyl(2,4,5-trimethoxyphenyl)methanone",COc1cc(OC)c(cc1OC)C(=O)c2ccccc2,COc1cc(OC)c(cc1OC)C(=O)c2ccccc2,"InChI=1/C16H16O4/c1-18-13-10-15(20-3)14(19-2)9-12(13)16(17)11-7-5-4-6-8-11/h4-10H,1-3H3",C16H16O4,,,,,,CWXBRVFPEIGVSF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.407,253-265-1,36898-42-7,"p-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzenesulphonyl chloride","4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzenesulfonyl chloride",ClS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O,ClS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O,"InChI=1/C10H6ClNO4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-6H",C10H6ClNO4S,,,,,,COLZNHMZLVPQFK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.409,253-267-2,36904-99-1,"(tetrachloro-1,3-phenylene)bismethylene diacrylate","(2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) bisacrylate",Clc1c(Cl)c(COC(=O)C=C)c(Cl)c(COC(=O)C=C)c1Cl,Clc1c(Cl)c(COC(=O)C=C)c(Cl)c(COC(=O)C=C)c1Cl,"InChI=1/C14H10Cl4O4/c1-3-9(19)21-5-7-11(15)8(6-22-10(20)4-2)13(17)14(18)12(7)16/h3-4H,1-2,5-6H2",C14H10Cl4O4,,,,,,ZHRMOJZUBUMONY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.414,253-273-5,36915-65-8,Sodium 2-(palmitoyloxy)ethane-1-sulphonate,sodium 2-(palmitoyloxy)ethanesulfonate,[Na+].CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-],"InChI=1/C18H36O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)23-16-17-24(20,21)22;/h2-17H2,1H3,(H,20,21,22);/q;+1/p-1",C18H36O5S.Na,,,,,,KWFZLOFTBBTQIE-UHFFFAOYSA-M,,,,,,,,,,,
100.048.416,253-275-6,36926-31-5,"4,8-dichloro-2,6-dipiperidinopyrimido[5,4-d]pyrimidine","4,8-dichloro-2,6-dipiperidin-1-ylpyrimido[5,4-d]pyrimidine",Clc1nc(nc2c(Cl)nc(nc12)N3CCCCC3)N4CCCCC4,Clc1nc(nc2c(Cl)nc(nc12)N3CCCCC3)N4CCCCC4,InChI=1/C16H20Cl2N6/c17-13-12-11(19-15(21-13)23-7-3-1-4-8-23)14(18)22-16(20-12)24-9-5-2-6-10-24/h1-10H2,C16H20Cl2N6,,,,,,WQLZHZNMYLIOEC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.422,253-281-9,36938-15-5,"N,N''-hexane-1,6-diylbis[N'-(2-hydroxyethyl)-N'-methylurea]","N',N'''-hexane-1,6-diylbis[1-(2-hydroxyethyl)-1-methylurea]",CN(CCO)C(=O)NCCCCCCNC(=O)N(C)CCO,CN(CCO)C(=O)NCCCCCCNC(=O)N(C)CCO,"InChI=1/C14H30N4O4/c1-17(9-11-19)13(21)15-7-5-3-4-6-8-16-14(22)18(2)10-12-20/h19-20H,3-12H2,1-2H3,(H,15,21)(H,16,22)",C14H30N4O4,,,,,,AKNPWFZCZXNMDM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.424,253-284-5,36940-87-1,"Adenosine cyclic 3',5'-(hydrogen phosphate) 2'-(hydrogen succinate)","4-{[6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy}-4-oxobutanoic acid",Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC(=O)O,Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC(=O)O,"InChI=1/C14H16N5O9P/c15-12-9-13(17-4-16-12)19(5-18-9)14-11(27-8(22)2-1-7(20)21)10-6(26-14)3-25-29(23,24)28-10/h4-6,10-11,14H,1-3H2,(H,20,21)(H,23,24)(H2,15,16,17)",C14H16N5O9P,,,,,,QNPSLGPIZRJDAN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.026,252-844-6,36043-87-5,Trimethyl(a-methylbenzyl)ammonium bromide,"N,N,N-trimethyl-1-phenylethanaminium bromide",[Br-].CC(c1ccccc1)[N+](C)(C)C,[Br-].CC(c1ccccc1)[N+](C)(C)C,"InChI=1/C11H18N.BrH/c1-10(12(2,3)4)11-8-6-5-7-9-11;/h5-10H,1-4H3;1H/q+1;/p-1",C11H18N.Br,,,,,,XLQFPGSOWUYDMY-UHFFFAOYSA-M,,,,,,,,,,,
100.048.032,252-850-9,36058-55-6,"2-chloro-5-[(4-chlorophenyl)thio]-4-(dimethylamino)benzenediazonium chloride, compound with zinc chloride","2-chloro-5-[(4-chlorophenyl)thio]-4-(dimethylamino)benzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1cc(Cl)c(cc1Sc2ccc(Cl)cc2)[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1cc(Cl)c(cc1Sc2ccc(Cl)cc2)[N+]#N,"InChI=1/C14H12Cl2N3S.3ClH.Zn/c1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;;;;/h3-8H,1-2H3;3*1H;/q+1;;;;+2/p-3",C14H12Cl2N3S.xCl2Zn.Cl,,,,,,MFDMEJGNEORAFR-UHFFFAOYSA-K,,,,,,,,,,,
100.048.037,252-856-1,36065-09-5,"(+)-1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one","3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC3(C)C2CCC3(C)C(=O)C2=Cc1ccccc1,CC3(C)C2CCC3(C)C(=O)C2=Cc1ccccc1,"InChI=1/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3",C17H20O,,,,,,OIQXFRANQVWXJF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.040,252-859-8,36065-30-2,"1,3,5-tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene","1,3,5-tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene",CC(Br)(CBr)COc1c(Br)cc(Br)cc1Br,CC(Br)(CBr)COc1c(Br)cc(Br)cc1Br,"InChI=1/C10H9Br5O/c1-10(15,4-11)5-16-9-7(13)2-6(12)3-8(9)14/h2-3H,4-5H2,1H3",C10H9Br5O,,,,,,WNMLTOIDDCEBNY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.050,252-870-8,36116-25-3,"5-chloro-7-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium methyl sulphate","5-chloro-7-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,3-dimethyl-2,3-dihydro-1H-benzotriazol-1-ium methyl sulfate",[O-]S(=O)(=O)OC.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2c3[NH+](C)NN2C,[O-]S(=O)(=O)OC.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2c3[NH+](C)NN2C,"InChI=1/C19H22ClN7.CH4O4S/c1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;1-5-6(2,3)4/h6-9,12-13,24H,4-5,11H2,1-3H3;1H3,(H,2,3,4)",C19H21ClN7.CH3O4S,,,,,,ZWYBMYDAKNKDJC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.051,252-871-3,36116-28-6,"4-chloro-3-[[4-[(2-cyanoethyl)ethylamino]-m-tolyl]azo]-N,N,N-trimethylanilinium chloride","4-chloro-3-({4-[(2-cyanoethyl)(ethyl)amino]-3-methylphenyl}diazenyl)-N,N,N-trimethylanilinium chloride",[Cl-].Clc2ccc(cc2N=Nc1cc(C)c(cc1)N(CC)CCC#N)[N+](C)(C)C,[Cl-].Clc2ccc(cc2N=Nc1cc(C)c(cc1)N(CC)CCC#N)[N+](C)(C)C,"InChI=1/C21H27ClN5.ClH/c1-6-26(13-7-12-23)21-11-8-17(14-16(21)2)24-25-20-15-18(27(3,4)5)9-10-19(20)22;/h8-11,14-15H,6-7,13H2,1-5H3;1H/q+1;/p-1",C21H27ClN5.Cl,,,,,,UIYVETREORAYQD-UHFFFAOYSA-M,,,,,,,,,,,
100.047.724,252-512-0,35325-02-1,N-(2-hydroxypropyl)benzenesulphonamide,N-(2-hydroxypropyl)benzenesulfonamide,CC(O)CNS(=O)(=O)c1ccccc1,CC(O)CNS(=O)(=O)c1ccccc1,"InChI=1/C9H13NO3S/c1-8(11)7-10-14(12,13)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3",C9H13NO3S,,,,,,DHRXPBUFQGUINE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.729,252-517-8,35339-68-5,"(1a,3ß)-cholest-5-ene-1,3-diyl diacetate","cholest-5-ene-1,3-diyl diacetate",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](OC(=O)C)[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](OC(=O)C)[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C,"InChI=1/C31H50O4/c1-19(2)9-8-10-20(3)26-13-14-27-25-12-11-23-17-24(34-21(4)32)18-29(35-22(5)33)31(23,7)28(25)15-16-30(26,27)6/h11,19-20,24-29H,8-10,12-18H2,1-7H3",C31H50O4,,,,,,FZOXBZOQYMCCSG-UEHZWOINSA-N,,,,,,,,,,,
100.047.733,252-522-5,35350-43-7,Bis(2-nitrophenyl) diselenide,bis(2-nitrophenyl)diselane,[O-][N+](=O)c1ccccc1[Se][Se]c2ccccc2[N+](=O)[O-],[O-][N+](=O)c1ccccc1[Se][Se]c2ccccc2[N+](=O)[O-],InChI=1/C12H8N2O4Se2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,C12H8N2O4Se2,,,,,,QUTPYNJBIHTIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.734,252-523-0,35353-13-0,Benzyl (chlorocarbonyl)phenylacetate,benzyl 3-chloro-3-oxo-2-phenylpropanoate,ClC(=O)C(C(=O)OCc1ccccc1)c2ccccc2,ClC(=O)C(C(=O)OCc1ccccc1)c2ccccc2,"InChI=1/C16H13ClO3/c17-15(18)14(13-9-5-2-6-10-13)16(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2",C16H13ClO3,,,,,,VWOHADKFMSXEIE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.742,252-531-4,35368-77-5,2-(2-naphthyloxy)acetamide,2-(2-naphthyloxy)acetamide,NC(=O)COc1ccc2ccccc2c1,NC(=O)COc1ccc2ccccc2c1,"InChI=1/C12H11NO2/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,13,14)",C12H11NO2,,,,,,LFWXXWQECWWZHS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.251,254-194-9,38932-58-0,"4-benzyl-2,6-dichlorophenol","4-benzyl-2,6-dichlorophenol",Oc1c(Cl)cc(Cc2ccccc2)cc1Cl,Oc1c(Cl)cc(Cc2ccccc2)cc1Cl,"InChI=1/C13H10Cl2O/c14-11-7-10(8-12(15)13(11)16)6-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2",C13H10Cl2O,,,,,,NLZPGZAUQYVFHS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.255,254-199-6,38939-88-7,3-chloro-4-nitrotoluene,2-chloro-4-methyl-1-nitrobenzene,Cc1ccc(c(Cl)c1)[N+](=O)[O-],Cc1ccc(c(Cl)c1)[N+](=O)[O-],"InChI=1/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3",C7H6ClNO2,,,,,,KGSQRFPDZCBVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.313,256-463-6,49745-42-8,"2-(2-pyridyl)propane-1,3-diol","2-pyridin-2-ylpropane-1,3-diol",OCC(CO)c1ccccn1,OCC(CO)c1ccccn1,"InChI=1/C8H11NO2/c10-5-7(6-11)8-3-1-2-4-9-8/h1-4,7,10-11H,5-6H2",C8H11NO2,,,,,,JGXRFQKRGPKWPP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.317,256-467-8,49751-88-4,"(1a,2a,5a)-6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde","6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde",CC1(C)[C@H]2CC[C@@H](C=O)[C@@H]1C2,CC1(C)[C@H]2CC[C@@H](C=O)[C@@H]1C2,"InChI=1/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h6-9H,3-5H2,1-2H3",C10H16O,,,,,,OOCLVMCVOWKECB-CIUDSAMLSA-N,,,,,,,,,,,
100.051.318,256-468-3,49752-90-1,"a-2-piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol","[2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol",OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F,OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F,"InChI=1/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2",C17H16F6N2O,,,,,,XEEQGYMUWCZPDN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.320,256-470-4,49755-67-1,Ioglicic acid,"3-acetamido-2,4,6-triiodo-5-{[2-(methylamino)-2-oxoethyl]carbamoyl}benzoic acid",CNC(=O)CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,CNC(=O)CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,"InChI=1/C13H12I3N3O5/c1-4(20)19-11-9(15)6(12(22)18-3-5(21)17-2)8(14)7(10(11)16)13(23)24/h3H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)",C13H12I3N3O5,,,,,,HHFIATHHSBFCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.324,256-475-1,49761-82-2,tert-butyl 1H-imidazole-1-carboxylate,tert-butyl 1H-imidazole-1-carboxylate,CC(C)(C)OC(=O)n1ccnc1,CC(C)(C)OC(=O)n1ccnc1,"InChI=1/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3",C8H12N2O2,,,,,,MTBKGWHHOBJMHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.995,256-113-2,43136-18-1,"(Z,Z)-1,1,3,3-tetramethyl-1,3-bis[(1-oxooctadec-9-enyl)oxy]distannoxane","1,1,3,3-tetramethyl-1,3-bis(oleoyloxy)distannoxane",CCCCCCCC\\C=C/CCCCCCCC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/2C18H34O2.4CH3.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1H3;;;/q;;;;;;;2*+1/p-2/rC40H78O5Sn2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(41)43-46(3,4)45-47(5,6)44-40(42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h21-24H,7-20,25-38H2,1-6H3",C40H78O5Sn2,,,,,,PSPGDGGOJDGOST-MNHRHIJMSA-L,,,,,,,,,,,
100.052.627,257-909-2,52431-78-4,"1,2-dihydro-1-(p-hydroxyphenyl)-5H-tetrazole-5-thione","1-(4-hydroxyphenyl)-1,2-dihydro-5H-tetrazole-5-thione",Oc1ccc(cc1)N2NN=NC2=S,Oc1ccc(cc1)N2NN=NC2=S,"InChI=1/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)",C7H6N4OS,,,,,,MOXZSKYLLSPATM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.628,257-910-8,52432-72-1,Oxeladin dihydrogen citrate,"2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C20H33NO3.C6H8O7,,,,,,KVKJFNUGVOFNGU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.632,257-915-5,52435-04-8,"p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)","4-nitrophenyl dihydrogen phosphate - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)",OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O.OCC(N)(CO)CO,OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O.OCC(N)(CO)CO,"InChI=1/C6H6NO6P.C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12);6-8H,1-3,5H2",C6H6NO6P.C4H11NO3,,,,,,YHAXIYFGQRSQOO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.641,257-924-4,52446-24-9,"(5a)-4,5-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride","3,14-dihydroxy-4,5-epoxymorphinan-6-one hydrochloride",Cl.Oc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,Cl.Oc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C16H17NO4.ClH/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14;/h1-2,11,14,17-18,20H,3-7H2;1H",C16H17NO4.ClH,,,,,,QMFVIJMHPXUVOL-RCGDHTHDSA-N,,,,,,,,,,,
100.052.643,257-927-0,52449-43-1,Methyl 4-chlorophenylacetate,methyl (4-chlorophenyl)acetate,COC(=O)Cc1ccc(Cl)cc1,COC(=O)Cc1ccc(Cl)cc1,"InChI=1/C9H9ClO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3",C9H9ClO2,,,,,,WWIYGBWRUXQDND-UHFFFAOYSA-N,,,,,,,,,,,
100.052.644,257-928-6,52450-03-0,2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium,"3-(2-{2-[(5-bromo-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-6-chloroquinolinium-1-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4ccc(Cl)cc4ccc3C=C(CC)C=C2Sc1ccc(Br)cc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4ccc(Cl)cc4ccc3C=C(CC)C=C2Sc1ccc(Br)cc1N2CC,"InChI=1/C26H26BrClN2O3S2/c1-3-18(15-26-29(4-2)24-17-20(27)7-11-25(24)34-26)14-22-9-6-19-16-21(28)8-10-23(19)30(22)12-5-13-35(31,32)33/h6-11,14-17H,3-5,12-13H2,1-2H3",C26H26BrClN2O3S2,,,,,,GLLQOQWZQQOWTA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.648,257-932-8,52457-55-3,Dipotassium sebacate,dipotassium sebacate,[K+].[K+].[O-]C(=O)CCCCCCCCC(=O)[O-],[K+].[K+].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/C10H18O4.2K/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;2*+1/p-2",C10H18O4.2K,,,,,,AHMROPIAMLLAPW-UHFFFAOYSA-L,,,,,,,,,,,
100.049.839,254-842-0,40218-96-0,1-[bis(4-fluorophenyl)methyl]-4-cinnamylpiperazine,1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine,Fc1ccc(cc1)C(N2CCN(C\\C=C\\c3ccccc3)CC2)c4ccc(F)cc4,Fc1ccc(cc1)C(N2CCN(C\C=C\c3ccccc3)CC2)c4ccc(F)cc4,"InChI=1/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2",C26H26F2N2,,,,,,SMANXXCATUTDDT-QPJJXVBHSA-N,Positive,ETS00128,[M+H]+,HCD15,203.0666:405.2135:201.1386,Eawag_Additional_Specs2,,,,,
100.049.857,254-861-4,40257-02-1,(3-nitrophenoxy)acetyl chloride,(3-nitrophenoxy)acetyl chloride,[O-][N+](=O)c1cccc(OCC(=O)Cl)c1,[O-][N+](=O)c1cccc(OCC(=O)Cl)c1,"InChI=1/C8H6ClNO4/c9-8(11)5-14-7-3-1-2-6(4-7)10(12)13/h1-4H,5H2",C8H6ClNO4,,,,,,MQMKJILTEHLNTP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.200,259-640-6,55441-63-9,"7,9-dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione","3,9-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)NC2=C1N(C)C(=O)NC2=O,CN1C(=O)NC2=C1N(C)C(=O)NC2=O,"InChI=1/C7H8N4O3/c1-10-5-3(8-6(10)13)4(12)9-7(14)11(5)2/h1-2H3,(H,8,13)(H,9,12,14)",C7H8N4O3,,,,,,HCUXKVFCFSVKHK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.205,259-645-3,55448-20-9,"Dihydrogen [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']manganate(2-)","[2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetato(2-)]manganese",OC(=O)CN(CCN1CC(=O)O[Mn]OC(=O)C1)CC(=O)O,OC(=O)CN(CCN1CC(=O)O[Mn]OC(=O)C1)CC(=O)O,"InChI=1/C10H16N2O8.Mn/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2",C10H12MnN2O8.2H,,,,,,RLNASBHWIXYGAC-UHFFFAOYSA-L,,,,,,,,,,,
100.054.215,259-656-3,55474-40-3,2-(4-chlorophenyl)-3-oxovaleronitrile,2-(4-chlorophenyl)-3-oxopentanenitrile,CCC(=O)C(C#N)c1ccc(Cl)cc1,CCC(=O)C(C#N)c1ccc(Cl)cc1,"InChI=1/C11H10ClNO/c1-2-11(14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10H,2H2,1H3",C11H10ClNO,,,,,,NKRGJBDEEGULAN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.219,259-661-0,55479-14-6,1-ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium toluene-p-sulphonate,"1-ethyl-2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2C,[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2C,"InChI=1/C20H19N2S.C7H8O3S/c1-3-22-16(13-12-15-8-4-5-9-17(15)22)14-20-21(2)18-10-6-7-11-19(18)23-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C20H19N2S.C7H7O3S,,,,,,PHQCMRONRWXIRN-UHFFFAOYSA-M,,,,,,,,,,,
100.053.720,259-112-5,54340-62-4,Bufuralol,2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol,CCc1cccc2cc(oc12)C(O)CNC(C)(C)C,CCc1cccc2cc(oc12)C(O)CNC(C)(C)C,"InChI=1/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3",C16H23NO2,,,,,,SSEBTPPFLLCUMN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.721,259-113-0,54340-70-4,Ethyl (E)-hept-4-enoate,ethyl hept-4-enoate,CCOC(=O)CC\\C=C\\CC,CCOC(=O)CC\C=C\CC,"InChI=1/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,GITGIBUELGTBSG-AATRIKPKSA-N,,,,,,,,,,,
100.053.724,259-116-7,54344-61-5,"2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene","2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene",CC1OC2(C=C1)C(=CCCC2(C)C)C,CC1OC2(C=C1)C(=CCCC2(C)C)C,"InChI=1/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6-7,9,11H,5,8H2,1-4H3",C13H20O,,,,,,BXVWNVFSJFBMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.735,259-128-2,54369-24-3,"Diethyl 2,3-diethyl-2-butenedioate","diethyl 2,3-diethylbut-2-enedioate",CCC(=C(CC)C(=O)OCC)C(=O)OCC,CCC(=C(CC)C(=O)OCC)C(=O)OCC,"InChI=1/C12H20O4/c1-5-9(11(13)15-7-3)10(6-2)12(14)16-8-4/h5-8H2,1-4H3",C12H20O4,,,,,,QLOWJACUTHAHSK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.001,252-816-3,35958-30-6,"2,2'-ethylidenebis[4,6-di-tert-butylphenol]","2,2'-ethane-1,1-diylbis(4,6-di-tert-butylphenol)",CC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c2cc(cc(c2O)C(C)(C)C)C(C)(C)C,CC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c2cc(cc(c2O)C(C)(C)C)C(C)(C)C,"InChI=1/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3",C30H46O2,,,,,,DXCHWXWXYPEZKM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.678,252-461-4,35243-89-1,"[(1,2-dibromopropoxy)methyl]oxirane","2-[(1,2-dibromopropoxy)methyl]oxirane",CC(Br)C(Br)OCC1CO1,CC(Br)C(Br)OCC1CO1,"InChI=1/C6H10Br2O2/c1-4(7)6(8)10-3-5-2-9-5/h4-6H,2-3H2,1H3",C6H10Br2O2,,,,,,HIUZIZLYVGKTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.685,252-469-8,35255-58-4,(chloromethyl)naphthalene,1-(chloromethyl)naphthalene,ClCc1cccc2ccccc12,ClCc1cccc2ccccc12,"InChI=1/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2",C11H9Cl,,,,,,XMWGTKZEDLCVIG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.690,252-475-0,35271-57-9,Bis[(4-hydroxy-m-tolyl)(methyl)ammonium] sulphate,"bis(4-hydroxy-N,3-dimethylanilinium) sulfate",C[NH2+]c1ccc(O)c(C)c1.C[NH2+]c2ccc(O)c(C)c2.[O-]S(=O)(=O)[O-],C[NH2+]c1ccc(O)c(C)c1.C[NH2+]c2ccc(O)c(C)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C8H11NO.H2O4S/c2*1-6-5-7(9-2)3-4-8(6)10;1-5(2,3)4/h2*3-5,9-10H,1-2H3;(H2,1,2,3,4)",C8H11NO.1/2H2O4S,,,,,,BADYPBVKBVAOLH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.700,252-486-0,35280-78-5,4-[[4-(hexyloxy)benzylidene]amino]benzonitrile,4-{[4-(hexyloxy)benzylidene]amino}benzonitrile,N#Cc1ccc(cc1)N=Cc2ccc(OCCCCCC)cc2,N#Cc1ccc(cc1)N=Cc2ccc(OCCCCCC)cc2,"InChI=1/C20H22N2O/c1-2-3-4-5-14-23-20-12-8-18(9-13-20)16-22-19-10-6-17(15-21)7-11-19/h6-13,16H,2-5,14H2,1H3",C20H22N2O,,,,,,YABQOLANVLHEPV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.425,253-285-0,36942-58-2,"2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]naphthalene-1-sulphonic acid","2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid",OS(=O)(=O)c3c4ccccc4ccc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,OS(=O)(=O)c3c4ccccc4ccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C20H16N4O4S/c1-13-18(20(25)24(23-13)15-8-3-2-4-9-15)22-21-17-12-11-14-7-5-6-10-16(14)19(17)29(26,27)28/h2-12,18H,1H3,(H,26,27,28)",C20H16N4O4S,,,,,,HYXZLBHMOJIWAB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.429,253-289-2,36958-87-9,Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetate,"ethyl (3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate",O=C(C=C1SCC(=O)N1CC)OCC,O=C(C=C1SCC(=O)N1CC)OCC,"InChI=1/C9H13NO3S/c1-3-10-7(11)6-14-8(10)5-9(12)13-4-2/h5H,3-4,6H2,1-2H3",C9H13NO3S,,,,,,JYTPTLJKVSVQDW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.436,253-297-6,36983-81-0,Disodium hydrogen phosphonatoacetate,hydrogen disodium phosphonatoacetate,[Na+].[Na+].[O-]C(=O)CP(=O)([O-])[O-],[Na+].[Na+].[O-]C(=O)CP(=O)([O-])[O-],"InChI=1/C2H5O5P.2Na/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H2,5,6,7);;/q;2*+1/p-3",C2H5O5P.2Na,,,,,,JBIQZGVFCHTYBY-UHFFFAOYSA-K,,,,,,,,,,,
100.048.437,253-298-1,36984-14-2,2-(4-chloro-2-methylphenoxy)propionamide,2-(4-chloro-2-methylphenoxy)propanamide,CC(Oc1ccc(Cl)cc1C)C(=O)N,CC(Oc1ccc(Cl)cc1C)C(=O)N,"InChI=1/C10H12ClNO2/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H2,12,13)",C10H12ClNO2,,,,,,DIQNVUMPQBMXFB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.754,256-948-2,51072-34-5,N-[2-(1-cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide,N-(2-cyclohex-1-en-1-ylethyl)-2-(4-methoxyphenyl)acetamide,COc1ccc(CC(=O)NCCC2=CCCCC2)cc1,COc1ccc(CC(=O)NCCC2=CCCCC2)cc1,"InChI=1/C17H23NO2/c1-20-16-9-7-15(8-10-16)13-17(19)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19)",C17H23NO2,,,,,,QIXKSRMRGXDDEH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.756,256-950-3,51072-36-7,"1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline","1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline",COc1ccc(CC2NCCC3=C2CCCC3)cc1,COc1ccc(CC2NCCC3=C2CCCC3)cc1,"InChI=1/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3",C17H23NO,,,,,,NPEVCJZMQGZNET-UHFFFAOYSA-N,,,,,,,,,,,
100.051.760,256-955-0,51079-79-9,"4,6,6-trimethylheptan-2-ol","4,6,6-trimethylheptan-2-ol",CC(O)CC(C)CC(C)(C)C,CC(O)CC(C)CC(C)(C)C,"InChI=1/C10H22O/c1-8(6-9(2)11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3",C10H22O,,,,,,FHQUDZUTAZYJRH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.764,256-959-2,51085-07-5,"2,9-dichloro-5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione","2,9-dichloro-5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione",Clc1ccc2NC3=C(CC4=C(C3)C(=O)c5cc(Cl)ccc5N4)C(=O)c2c1,Clc1ccc2NC3=C(CC4=C(C3)C(=O)c5cc(Cl)ccc5N4)C(=O)c2c1,"InChI=1/C20H12Cl2N2O2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-6H,7-8H2,(H,23,25)(H,24,26)",C20H12Cl2N2O2,,,,,,QSHKTWMVEGIPMA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.766,256-961-3,51085-95-1,"2,3,4,9-tetrahydro-6-hydroxy-1H-pyrido[3,4-b]indol-1-one","6-hydroxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one",Oc1ccc2[nH]c3C(=O)NCCc3c2c1,Oc1ccc2[nH]c3C(=O)NCCc3c2c1,"InChI=1/C11H10N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-2,5,13-14H,3-4H2,(H,12,15)",C11H10N2O2,,,,,,WNGPRJOWLUNBCE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.771,256-967-6,51100-54-0,1-decen-3-ol,dec-1-en-3-ol,CCCCCCCC(O)C=C,CCCCCCCC(O)C=C,"InChI=1/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h4,10-11H,2-3,5-9H2,1H3",C10H20O,,,,,,NSFWLHKFTGZFBP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.775,256-971-8,51113-41-8,"1,6-bis(isopropyl)naphthalene","1,6-diisopropylnaphthalene",CC(C)c1ccc2c(cccc2c1)C(C)C,CC(C)c1ccc2c(cccc2c1)C(C)C,"InChI=1/C16H20/c1-11(2)13-8-9-16-14(10-13)6-5-7-15(16)12(3)4/h5-12H,1-4H3",C16H20,,,,,,GQHUSRBBMNYHIF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.783,256-980-7,51115-72-1,"2-isopropyl-N,N,2-trimethylhexanamide","2-isopropyl-N,N,2-trimethylhexanamide",CCCCC(C)(C(C)C)C(=O)N(C)C,CCCCC(C)(C(C)C)C(=O)N(C)C,"InChI=1/C12H25NO/c1-7-8-9-12(4,10(2)3)11(14)13(5)6/h10H,7-9H2,1-6H3",C12H25NO,,,,,,RNTPPLUFUHIOOM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.785,256-982-8,51115-75-4,"N,N,2,2-tetraethyl-3-methylbutyramide","N,N,2,2-tetraethyl-3-methylbutanamide",CCN(CC)C(=O)C(CC)(CC)C(C)C,CCN(CC)C(=O)C(CC)(CC)C(C)C,"InChI=1/C13H27NO/c1-7-13(8-2,11(5)6)12(15)14(9-3)10-4/h11H,7-10H2,1-6H3",C13H27NO,,,,,,DGDSEGJXQRTFBV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.790,256-988-0,51115-81-2,"2,3-dimethyl-2-isopropylbutyryl chloride","2-isopropyl-2,3-dimethylbutanoyl chloride",CC(C)C(C)(C(C)C)C(=O)Cl,CC(C)C(C)(C(C)C)C(=O)Cl,"InChI=1/C9H17ClO/c1-6(2)9(5,7(3)4)8(10)11/h6-7H,1-5H3",C9H17ClO,,,,,,WMEBPQLEDFWBRX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.809,259-210-8,54546-26-8,"2-butyl-4,4,6-trimethyl-1,3-dioxane","2-butyl-4,4,6-trimethyl-1,3-dioxane",CCCCC1OC(C)CC(C)(C)O1,CCCCC1OC(C)CC(C)(C)O1,"InChI=1/C11H22O2/c1-5-6-7-10-12-9(2)8-11(3,4)13-10/h9-10H,5-8H2,1-4H3",C11H22O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17651,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.809,QUBNQDBPPTZYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.256,254-201-5,38941-46-7,"Methyl 3,3-dimethyl-2-oxobutyrate","methyl 3,3-dimethyl-2-oxobutanoate",COC(=O)C(=O)C(C)(C)C,COC(=O)C(=O)C(C)(C)C,"InChI=1/C7H12O3/c1-7(2,3)5(8)6(9)10-4/h1-4H3",C7H12O3,,,,,,NRXFOYAHMBPJEP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.258,254-203-6,38945-21-0,O-allylhydroxylamine hydrochloride,3-(aminooxy)prop-1-ene hydrochloride,Cl.NOCC=C,Cl.NOCC=C,"InChI=1/C3H7NO.ClH/c1-2-3-5-4;/h2H,1,3-4H2;1H",C3H7NO.ClH,,,,,,XIQUJVRFXPBMHS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.262,254-207-8,38949-38-1,"Ethyl 6,6-dimethyl-3-[(4-methyl-2-nitrophenyl)azo]-2,4-dioxocyclohexanecarboxylate","ethyl 2,2-dimethyl-5-[(4-methyl-2-nitrophenyl)diazenyl]-4,6-dioxocyclohexanecarboxylate",CC2(C)CC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(=O)C2C(=O)OCC,CC2(C)CC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(=O)C2C(=O)OCC,"InChI=1/C18H21N3O6/c1-5-27-17(24)14-16(23)15(13(22)9-18(14,3)4)20-19-11-7-6-10(2)8-12(11)21(25)26/h6-8,14-15H,5,9H2,1-4H3",C18H21N3O6,,,,,,SABNWZIMKVRPJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.407,256-566-6,50378-83-1,1-ethyl-2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]-6-methoxyquinolinium iodide,"1-ethyl-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2(3H)-ylidene)methyl]-6-methoxyquinolinium iodide",[I-].CC[n+]3c4ccc(OC)cc4ccc3C=C2[Se]c1ccc(cc1N2CC)OC,[I-].CC[n+]3c4ccc(OC)cc4ccc3C=C2[Se]c1ccc(cc1N2CC)OC,"InChI=1/C23H25N2O2Se.HI/c1-5-24-17(8-7-16-13-18(26-3)9-11-20(16)24)14-23-25(6-2)21-15-19(27-4)10-12-22(21)28-23;/h7-15H,5-6H2,1-4H3;1H/q+1;/p-1",C23H25N2O2Se.I,,,,,,RHVIZBUXTLEOPG-UHFFFAOYSA-M,,,,,,,,,,,
100.051.414,256-573-4,50390-76-6,5-mesyl-o-anisic acid,2-methoxy-5-(methylsulfonyl)benzoic acid,COc1ccc(cc1C(=O)O)S(=O)(=O)C,COc1ccc(cc1C(=O)O)S(=O)(=O)C,"InChI=1/C9H10O5S/c1-14-8-4-3-6(15(2,12)13)5-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O5S,,,,,,BXWLVQXAFBWKSR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.422,256-582-3,50412-00-5,2-hydroxy-6-nitro-4-sulphonaphthalene-1-diazonium,2-hydroxy-6-nitro-4-sulfonaphthalene-1-diazonium,Oc1cc(c2cc(ccc2c1[N+]#N)[N+](=O)[O-])S(=O)(=O)O,Oc1cc(c2cc(ccc2c1[N+]#N)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C10H5N3O6S/c11-12-10-6-2-1-5(13(15)16)3-7(6)9(4-8(10)14)20(17,18)19/h1-4H,(H-,14,17,18,19)/p+1",C10H6N3O6S,,,,,,CCFWJWRQXDDAEJ-UHFFFAOYSA-O,,,,,,,,,,,
100.051.424,256-584-4,50415-69-5,Methyl 2-(4-nitrophenyl)propionate,methyl 2-(4-nitrophenyl)propanoate,COC(=O)C(C)c1ccc(cc1)[N+](=O)[O-],COC(=O)C(C)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H11NO4/c1-7(10(12)15-2)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3",C10H11NO4,,,,,,NWHFCRJVWNLNHP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.425,256-586-5,50421-83-5,2-(hydroxymethylene)-6-(isopropyl)-3-methylcyclohexan-1-one,2-(hydroxymethylene)-6-isopropyl-3-methylcyclohexanone,CC(C)C1CCC(C)C(=CO)C1=O,CC(C)C1CCC(C)C(=CO)C1=O,"InChI=1/C11H18O2/c1-7(2)9-5-4-8(3)10(6-12)11(9)13/h6-9,12H,4-5H2,1-3H3",C11H18O2,,,,,,YIQAYHQJSPWHMX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.426,256-587-0,50424-81-2,4-methyl-2-nitrobenzoyl chloride,4-methyl-2-nitrobenzoyl chloride,Cc1ccc(C(=O)Cl)c(c1)[N+](=O)[O-],Cc1ccc(C(=O)Cl)c(c1)[N+](=O)[O-],"InChI=1/C8H6ClNO3/c1-5-2-3-6(8(9)11)7(4-5)10(12)13/h2-4H,1H3",C8H6ClNO3,,,,,,NGWLWEKYLVWRNX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.428,256-589-1,50448-95-8,2-ethylhexyl 3-mercaptopropionate,2-ethylhexyl 3-sulfanylpropanoate,CCCCC(CC)COC(=O)CCS,CCCCC(CC)COC(=O)CCS,"InChI=1/C11H22O2S/c1-3-5-6-10(4-2)9-13-11(12)7-8-14/h10,14H,3-9H2,1-2H3",C11H22O2S,,,,,,SUODCTNNAKSRHB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.429,256-590-7,50456-36-5,"1-amino-3-[(1,1-dimethylethyl)(phenylmethyl)amino]propan-2-ol",1-amino-3-[benzyl(tert-butyl)amino]propan-2-ol,CC(C)(C)N(CC(O)CN)Cc1ccccc1,CC(C)(C)N(CC(O)CN)Cc1ccccc1,"InChI=1/C14H24N2O/c1-14(2,3)16(11-13(17)9-15)10-12-7-5-4-6-8-12/h4-8,13,17H,9-11,15H2,1-3H3",C14H24N2O,,,,,,QBYBTRGJFDHZKL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.430,256-591-2,50456-56-9,"1-amino-3-[(1,1-dimethylethyl)amino]propan-2-ol",1-amino-3-(tert-butylamino)propan-2-ol,CC(C)(C)NCC(O)CN,CC(C)(C)NCC(O)CN,"InChI=1/C7H18N2O/c1-7(2,3)9-5-6(10)4-8/h6,9-10H,4-5,8H2,1-3H3",C7H18N2O,,,,,,UIPBHEMSRLPBRL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.444,256-607-8,50498-74-3,"3-ethyl-2,4-dimethylthiazolium toluene-p-sulphonate","3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium 4-methylbenzenesulfonate",CC[n+]1c(C)csc1C.Cc2ccc(cc2)S(=O)(=O)[O-],CC[n+]1c(C)csc1C.Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C7H12NS.C7H8O3S/c1-4-8-6(2)5-9-7(8)3;1-6-2-4-7(5-3-6)11(8,9)10/h5H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C7H12NS.C7H7O3S,,,,,,RFPVJYBAAODNDM-UHFFFAOYSA-M,,,,,,,,,,,
100.051.445,256-608-3,50499-60-0,"(+)-4-amino-a-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol","1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol",CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",C12H18Cl2N2O,,,,,,STJMRWALKKWQGH-UHFFFAOYSA-N,Positive,AU109901;EQ359201|EQ359202|EQ359203|EQ359204|EQ359205|EQ359206|EQ359207|EQ359208|EQ359209,[M+H]+;[M+H]+,CID20.8-31.2;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,203.0147:205.0116:132.0684;259.0761:203.0136:277.0867|203.0135:259.0762:57.0698|203.0136:132.0681:168.0448|132.0681:168.0448:167.037|132.0681:168.0447:167.037|132.0682:168.0448:140.0261|140.0261:132.0682:104.0494|104.0494:140.0261:131.0604|104.0494:95.0491:89.0386,Athens_Univ;Eawag,,,,,
100.051.450,256-614-6,50526-52-8,"Dodecahydro-1,1-dimethyl-1H-naphtho[2,3-c]pyran","1,1-dimethyldodecahydro-1H-benzo[g]isochromene",CC1(C)OCCC2CC3CCCCC3CC12,CC1(C)OCCC2CC3CCCCC3CC12,"InChI=1/C15H26O/c1-15(2)14-10-12-6-4-3-5-11(12)9-13(14)7-8-16-15/h11-14H,3-10H2,1-2H3",C15H26O,,,,,,LASFLQOBUGTTCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.649,257-933-3,52463-50-0,"3-bromo-2,2-dimethylpropyl bromochlorophosphate","3-bromo-2,2-dimethylpropyl bromochlorophosphate",CC(C)(CBr)COP(=O)(Cl)Br,CC(C)(CBr)COP(=O)(Cl)Br,"InChI=1/C5H10Br2ClO2P/c1-5(2,3-6)4-10-11(7,8)9/h3-4H2,1-2H3",C5H10Br2ClO2P,,,,,,WAXPIYHHPONHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.652,257-937-5,52468-60-7,Flunarizine,1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine,Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)CC=Cc4ccccc4,Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)CC=Cc4ccccc4,"InChI=1/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2",C26H26F2N2,,,,,,SMANXXCATUTDDT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.660,257-945-9,52479-85-3,Exifone,"(2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone",Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O,Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O,"InChI=1/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H",C13H10O7,,,,,,XEDWWPGWIXPVRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.307,253-155-3,36678-45-2,"1,1,2,3,4,4-hexabromobut-2-ene","1,1,2,3,4,4-hexabromobut-2-ene",BrC(C(Br)Br)=C(Br)C(Br)Br,BrC(C(Br)Br)=C(Br)C(Br)Br,InChI=1/C4H2Br6/c5-1(3(7)8)2(6)4(9)10/h3-4H,C4H2Br6,,,,,,VNDVTDGELDURCN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.312,253-161-6,36702-84-8,"a-[1-[(3,3-di-3-thienylallyl)amino]ethyl]benzyl alcohol hydrochloride","2-[(3,3-di-3-thienylprop-2-en-1-yl)amino]-1-phenylpropan-1-ol hydrochloride",Cl.CC(NCC=C(c1ccsc1)c2ccsc2)C(O)c3ccccc3,Cl.CC(NCC=C(c1ccsc1)c2ccsc2)C(O)c3ccccc3,"InChI=1/C20H21NOS2.ClH/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18;/h2-9,11-15,20-22H,10H2,1H3;1H",C20H21NOS2.ClH,,,,,,BRPBPTNOXZNOML-UHFFFAOYSA-N,,,,,,,,,,,
100.048.314,253-163-7,36705-33-6,"5-chloro-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid","5-chloro-2-{[1-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonic acid",OS(=O)(=O)c3cc(Cl)ccc3N=NC2C(\\C)=N/N(c1ccccc1Cl)C2=O,OS(=O)(=O)c3cc(Cl)ccc3N=NC2C(\C)=N/N(c1ccccc1Cl)C2=O,"InChI=1/C16H12Cl2N4O4S/c1-9-15(16(23)22(21-9)13-5-3-2-4-11(13)18)20-19-12-7-6-10(17)8-14(12)27(24,25)26/h2-8,15H,1H3,(H,24,25,26)",C16H12Cl2N4O4S,,,,,,NVZMMVHKEJYBEU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.318,253-167-9,36724-43-3,"2,2'-[oxybis(methylenesulphonyl)]bisethanol","2,2'-[oxybis(methylenesulfonyl)]diethanol",OCCS(=O)(=O)COCS(=O)(=O)CCO,OCCS(=O)(=O)COCS(=O)(=O)CCO,"InChI=1/C6H14O7S2/c7-1-3-14(9,10)5-13-6-15(11,12)4-2-8/h7-8H,1-6H2",C6H14O7S2,,,,,,VOICNDJRJIUWRG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.320,253-170-5,36727-72-7,"2,2'-[oxybis(methylenethio)]bisethanol","2,2'-[oxybis(methylenesulfanediyl)]diethanol",OCCSCOCSCCO,OCCSCOCSCCO,"InChI=1/C6H14O3S2/c7-1-3-10-5-9-6-11-4-2-8/h7-8H,1-6H2",C6H14O3S2,,,,,,QGECTPPOVMJXOX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.322,253-172-6,36729-49-4,Magnesium toluenesulphonate,magnesium bis(2-methylbenzenesulfonate),[Mg+2].Cc1ccccc1S(=O)(=O)[O-].Cc2ccccc2S(=O)(=O)[O-],[Mg+2].Cc1ccccc1S(=O)(=O)[O-].Cc2ccccc2S(=O)(=O)[O-],"InChI=1/2C7H8O3S.Mg/c2*1-6-4-2-3-5-7(6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",C7H8O3S.1/2Mg,,,,,,NYZCEWSWSSPEFF-UHFFFAOYSA-L,,,,,,,,,,,
100.048.326,253-176-8,36732-55-5,Trihydrogen hexachloroiridate,hexachloroiridate(2-),Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.Ir/h6*1H;/q;;;;;;+4/p-6/rCl6Ir/c1-7(2,3,4,5)6/q-2",Cl6Ir.3H,,,,,,PVMMMVHZRGMXED-UHFFFAOYSA-H,,,,,,,,,,,
100.048.328,253-178-9,36734-19-7,"3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide","3-(3,5-dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide",CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,"InChI=1/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)",C13H13Cl2N3O3,,,,,,ONUFESLQCSAYKA-UHFFFAOYSA-N,Positive,EQ306001|EQ306002|EQ306003|EQ306004|EQ306005|EQ306006,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,244.9879:330.0405:287.9936|244.9879:216.993:287.9937|244.988:161.9872:173.9872|173.9872:56.0132:161.9872|173.9872:56.0132:161.9872|56.0131:173.9872:98.9842,Eawag,,,,,
100.048.335,253-186-2,36748-82-0,"a,ß-dimethylbenzenebutanol",3-methyl-5-phenylpentan-2-ol,CC(O)C(C)CCc1ccccc1,CC(O)C(C)CCc1ccccc1,"InChI=1/C12H18O/c1-10(11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3",C12H18O,,,,,,PRCGAVVRFUPYKL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.345,253-197-2,36768-62-4,"2,2,6,6-tetramethyl-4-piperidylamine","2,2,6,6-tetramethylpiperidin-4-amine",CC1(C)CC(N)CC(C)(C)N1,CC1(C)CC(N)CC(C)(C)N1,"InChI=1/C9H20N2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6,10H2,1-4H3",C9H20N2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1943,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.345,FTVFPPFZRRKJIH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.346,253-198-8,36770-74-8,"N-(3-chloropropyl)-3,4-dimethoxy-N-methylphenethylamine","3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine",COc1ccc(CCN(C)CCCCl)cc1OC,COc1ccc(CCN(C)CCCCl)cc1OC,"InChI=1/C14H22ClNO2/c1-16(9-4-8-15)10-7-12-5-6-13(17-2)14(11-12)18-3/h5-6,11H,4,7-10H2,1-3H3",C14H22ClNO2,,,,,,HJBBKVHYQQUPQW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.352,253-204-9,36781-74-5,(R)-12-hydroxyoleyl oleate,12-hydroxyoctadec-9-en-1-yl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C36H68O3/c1-3-5-7-9-10-11-12-13-14-15-16-19-22-25-29-33-36(38)39-34-30-26-23-20-17-18-21-24-28-32-35(37)31-27-8-6-4-2/h13-14,24,28,35,37H,3-12,15-23,25-27,29-34H2,1-2H3",C36H68O3,,,,,,QSALBORXZAWWQU-FHSFBDLLSA-N,,,,,,,,,,,
100.047.705,252-491-8,35290-97-2,4-amino-5-bromo-2-methoxybenzoic acid,4-amino-5-bromo-2-methoxybenzoic acid,COc1cc(N)c(Br)cc1C(=O)O,COc1cc(N)c(Br)cc1C(=O)O,"InChI=1/C8H8BrNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)",C8H8BrNO3,,,,,,WHXLHIGUTBQVOF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.708,252-494-4,35294-72-5,Sodium p-[[bis[p-(dimethylamino)phenyl]methyl]amino]benzenesulphonate,sodium 4-({bis[4-(dimethylamino)phenyl]methyl}amino)benzenesulfonate,[Na+].CN(C)c1ccc(cc1)C(Nc2ccc(cc2)S(=O)(=O)[O-])c3ccc(cc3)N(C)C,[Na+].CN(C)c1ccc(cc1)C(Nc2ccc(cc2)S(=O)(=O)[O-])c3ccc(cc3)N(C)C,"InChI=1/C23H27N3O3S.Na/c1-25(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)26(3)4)24-19-9-15-22(16-10-19)30(27,28)29;/h5-16,23-24H,1-4H3,(H,27,28,29);/q;+1/p-1",C23H27N3O3S.Na,,,,,,AOTJCNGOOCDOSL-UHFFFAOYSA-M,,,,,,,,,,,
100.049.862,254-867-7,40267-72-9,"1-ethoxy-3,7-dimethylocta-2,6-diene","1-ethoxy-3,7-dimethylocta-2,6-diene",C\\C(C)=C\\CCC(C)=CCOCC,C\C(C)=C\CCC(C)=CCOCC,"InChI=1/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3",C12H22O,,,,,,LOUIMJFJROISMD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.863,254-868-2,40277-04-1,Magnesium(2+) 12-hydroxyoctadecanoate,magnesium bis(12-hydroxyoctadecanoate),[Mg+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O3.Mg/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H36O3.1/2Mg,,,,,,VIALJPAGUCTUBQ-UHFFFAOYSA-L,,,,,,,,,,,
100.049.872,254-878-7,40306-23-8,Sodium 5-amino-2-anilinobenzenesulphonate,sodium 5-amino-2-anilinobenzenesulfonate,[Na+].Nc1ccc(Nc2ccccc2)c(c1)S(=O)(=O)[O-],[Na+].Nc1ccc(Nc2ccccc2)c(c1)S(=O)(=O)[O-],"InChI=1/C12H12N2O3S.Na/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10;/h1-8,14H,13H2,(H,15,16,17);/q;+1/p-1",C12H12N2O3S.Na,,,,,,NTQLJKGMHZNLIV-UHFFFAOYSA-M,,,,,,,,,,,
100.049.873,254-879-2,40306-75-0,3-acetamido-5-amino-4-hydroxybenzenesulphonic acid,3-acetamido-5-amino-4-hydroxybenzenesulfonic acid,CC(=O)Nc1cc(cc(N)c1O)S(=O)(=O)O,CC(=O)Nc1cc(cc(N)c1O)S(=O)(=O)O,"InChI=1/C8H10N2O5S/c1-4(11)10-7-3-5(16(13,14)15)2-6(9)8(7)12/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)",C8H10N2O5S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10883,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.873,SFUJTLIHMWZDTL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.377,256-533-6,50310-85-5,"(-)-4-amino-a-[[tert-butylamino]methyl]-3,5-dichlorobenzyl alcohol hydrochloride","1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride",Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H",C12H18Cl2N2O.xClH,,,,,,OPXKTCUYRHXSBK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.379,256-535-7,50314-37-9,"Sodium 1-amino-9,10-dihydro-4-[(4-hydroxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-hydroxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(O)cc4)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(O)cc4)cc1S(=O)(=O)[O-],"InChI=1/C20H14N2O6S.Na/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24;/h1-9,22-23H,21H2,(H,26,27,28);/q;+1/p-1",C20H14N2O6S.Na,,,,,,VLZVLXBAUVQEKH-UHFFFAOYSA-M,,,,,,,,,,,
100.051.384,256-540-4,50321-35-2,Morazone hydrochloride,"1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one hydrochloride",Cl.CC1C(OCCN1CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4,Cl.CC1C(OCCN1CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4,"InChI=1/C23H27N3O2.ClH/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19;/h4-13,18,22H,14-16H2,1-3H3;1H",C23H27N3O2.ClH,,,,,,QPNQBCBHTTYDEN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.392,256-549-3,50337-75-2,1-(tert-butoxy)naphthalene,tert-butyl 1-naphthyl ether,CC(C)(C)Oc1cccc2ccccc12,CC(C)(C)Oc1cccc2ccccc12,"InChI=1/C14H16O/c1-14(2,3)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3",C14H16O,,,,,,CQTPIJQVFIVEGT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.032,256-154-6,43224-82-4,"2,2',2''-[methylidynetris(p-phenyleneoxymethylene)]trioxirane","2,2',2''-[methanetriyltris(4,1-phenyleneoxymethylene)]trioxirane",C(Oc1ccc(cc1)C(c2ccc(OCC3CO3)cc2)c4ccc(OCC5CO5)cc4)C6CO6,C(Oc1ccc(cc1)C(c2ccc(OCC3CO3)cc2)c4ccc(OCC5CO5)cc4)C6CO6,"InChI=1/C28H28O6/c1-7-22(29-13-25-16-32-25)8-2-19(1)28(20-3-9-23(10-4-20)30-14-26-17-33-26)21-5-11-24(12-6-21)31-15-27-18-34-27/h1-12,25-28H,13-18H2",C28H28O6,,,,,,IGZBSJAMZHNHKE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.033,256-155-1,43229-65-8,N-benzyl-4-methoxy-a-methylphenethylamine,N-benzyl-1-(4-methoxyphenyl)propan-2-amine,COc1ccc(CC(C)NCc2ccccc2)cc1,COc1ccc(CC(C)NCc2ccccc2)cc1,"InChI=1/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3",C17H21NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16811,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.033,CVGPWMGXKOKNFD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.044,256-167-7,44870-96-4,"Sodium 1-hydroxy-2,2-dimethylpropanesulphonate","sodium 1-hydroxy-2,2-dimethylpropane-1-sulfonate",[Na+].CC(C)(C)C(O)S(=O)(=O)[O-],[Na+].CC(C)(C)C(O)S(=O)(=O)[O-],"InChI=1/C5H12O4S.Na/c1-5(2,3)4(6)10(7,8)9;/h4,6H,1-3H3,(H,7,8,9);/q;+1/p-1",C5H12O4S.Na,,,,,,LJGVQZVVGUDQBY-UHFFFAOYSA-M,,,,,,,,,,,
100.051.056,256-180-8,45019-28-1,4-methylnonan-1-oic acid,4-methylnonanoic acid,CCCCCC(C)CCC(=O)O,CCCCCC(C)CCC(=O)O,"InChI=1/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",C10H20O2,,,,,,WQTZCQIRCYSUBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.811,259-212-9,54546-95-1,"a-methylene-1,3-benzodioxole-5-propionaldehyde","2-(1,3-benzodioxol-5-ylmethyl)acrylaldehyde",C=C(Cc1ccc2OCOc2c1)C=O,C=C(Cc1ccc2OCOc2c1)C=O,"InChI=1/C11H10O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6H,1,4,7H2",C11H10O3,,,,,,GQPLAQHDCOTNIP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.814,259-216-0,54549-23-4,Octyl D-glucoside,ethyl hexopyranoside,CCOC1OC(CO)C(O)C(O)C1O,CCOC1OC(CO)C(O)C(O)C1O,"InChI=1/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3",C14H28O6,,,,,,WYUFTYLVLQZQNH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.819,259-221-8,54551-83-6,"Methyl 2,6-dichlorophenylacetate","methyl (2,6-dichlorophenyl)acetate",COC(=O)Cc1c(Cl)cccc1Cl,COC(=O)Cc1c(Cl)cccc1Cl,"InChI=1/C9H8Cl2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3",C9H8Cl2O2,,,,,,FCWRUYPZZJPCCG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.820,259-222-3,54553-87-6,"Benzene-1,2,4-tricarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1)","benzene-1,2,4-tricarboxylic acid - 2-phenyl-4,5-dihydro-1H-imidazole (1:1)",OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.C2CN=C(N2)c3ccccc3,OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.C2CN=C(N2)c3ccccc3,"InChI=1/C9H10N2.C9H6O6/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-5H,6-7H2,(H,10,11);1-3H,(H,10,11)(H,12,13)(H,14,15)",C9H10N2.C9H6O6,,,,,,XSUIFBBMMDAUOR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.822,259-224-4,54553-90-1,"Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1)","benzene-1,2,4,5-tetracarboxylic acid - 2-phenyl-4,5-dihydro-1H-imidazole (1:1)",OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O.C2CN=C(N2)c3ccccc3,OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O.C2CN=C(N2)c3ccccc3,"InChI=1/C10H6O8.C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1-5H,6-7H2,(H,10,11)",C10H6O8.C9H10N2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13708,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.822,TZBVXASHYYFGHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.823,259-226-5,54553-91-2,"Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:2)","benzene-1,2,4,5-tetracarboxylic acid - 2-phenyl-4,5-dihydro-1H-imidazole (1:2)",OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O.C2CN=C(N2)c3ccccc3.C4CN=C(N4)c5ccccc5,OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O.C2CN=C(N2)c3ccccc3.C4CN=C(N4)c5ccccc5,"InChI=1/C10H6O8.2C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;2*1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2*1-5H,6-7H2,(H,10,11)",C10H6O8.2C9H10N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12058,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.823,XSMMIZPIWZYHNL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.824,259-227-0,54554-36-8,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione, lead salt",-,[Pb].O=C1NC(=O)NC(=O)N1,[Pb].O=C1NC(=O)NC(=O)N1,"InChI=1/C3H3N3O3.Pb.2H/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;+4;;/rC3H3N3O3.H2Pb/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);1H2/q;+4",C3H3N3O3.xPb,,,,,,ZHKYPEFVHONVKL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.834,259-238-0,54574-07-1,"6'-(diethylamino)-2'-(dioctylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-2'-(dioctylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCCCCCN(CCCCCCCC)c1ccc2Oc3cc(ccc3C4(OC(=O)c5ccccc45)c2c1)N(CC)CC,CCCCCCCCN(CCCCCCCC)c1ccc2Oc3cc(ccc3C4(OC(=O)c5ccccc45)c2c1)N(CC)CC,"InChI=1/C40H54N2O3/c1-5-9-11-13-15-19-27-42(28-20-16-14-12-10-6-2)31-24-26-37-36(29-31)40(34-22-18-17-21-33(34)39(43)45-40)35-25-23-32(30-38(35)44-37)41(7-3)8-4/h17-18,21-26,29-30H,5-16,19-20,27-28H2,1-4H3",C40H54N2O3,,,,,,SAGNMSDKVIHAAE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.843,259-248-5,54589-71-8,"2,4,8-trichlorodibenzofuran","2,4,8-trichlorodibenzo[b,d]furan",Clc1ccc2oc3c(Cl)cc(Cl)cc3c2c1,Clc1ccc2oc3c(Cl)cc(Cl)cc3c2c1,InChI=1/C12H5Cl3O/c13-6-1-2-11-8(3-6)9-4-7(14)5-10(15)12(9)16-11/h1-5H,C12H5Cl3O,,,,,,WJURXKWTCOMRCE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.534,255-607-5,41988-53-8,1-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(4-methoxyphenyl)biguanide,N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-methoxyphenyl)imidodicarbonimidic diamide,CCN1CCCC1CNC(=N)NC(=N)Nc2ccc(OC)cc2,CCN1CCCC1CNC(=N)NC(=N)Nc2ccc(OC)cc2,"InChI=1/C16H26N6O/c1-3-22-10-4-5-13(22)11-19-15(17)21-16(18)20-12-6-8-14(23-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3,(H5,17,18,19,20,21)",C16H26N6O,,,,,,USFOURJIXLSLPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.545,255-619-0,42002-05-1,N-tert-(butoxycarbonyl)-L-histidinohydrazide,tert-butyl [2-hydrazino-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]carbamate (non-preferred name),CC(C)(C)OC(=O)NC(Cc1c[nH]cn1)C(=O)NN,CC(C)(C)OC(=O)NC(Cc1c[nH]cn1)C(=O)NN,"InChI=1/C11H19N5O3/c1-11(2,3)19-10(18)15-8(9(17)16-12)4-7-5-13-6-14-7/h5-6,8H,4,12H2,1-3H3,(H,13,14)(H,15,18)(H,16,17)",C11H19N5O3,,,,,,IIAZPXGGUWPKRC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.547,255-621-1,42003-39-4,"1-(chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","1-(chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",ClC[Si]12OCCN(CCO1)CCO2,ClC[Si]12OCCN(CCO1)CCO2,InChI=1/C7H14ClNO3Si/c8-7-13-10-4-1-9(2-5-11-13)3-6-12-13/h1-7H2,C7H14ClNO3Si,,,,,,METVSRFIOHSNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.548,255-622-7,42013-20-7,N-(o-toluoyl)glycine,N-(2-methylbenzoyl)glycine,Cc1ccccc1C(=O)NCC(=O)O,Cc1ccccc1C(=O)NCC(=O)O,"InChI=1/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)",C10H11NO3,,,,,,YOEBAVRJHRCKRE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.081,256-207-3,45217-53-6,Bis(2-ethoxyethyl) fumarate,bis(2-ethoxyethyl) but-2-enedioate,CCOCCOC(=O)\\C=C\\C(=O)OCCOCC,CCOCCOC(=O)\C=C\C(=O)OCCOCC,"InChI=1/C12H20O6/c1-3-15-7-9-17-11(13)5-6-12(14)18-10-8-16-4-2/h5-6H,3-4,7-10H2,1-2H3",C12H20O6,,,,,,FAOJZHMRXJJQCB-AATRIKPKSA-N,,,,,,,,,,,
100.051.088,256-215-7,45267-59-2,Tetradecyl hydrogen fumarate,4-oxo-4-(tetradecyloxy)but-2-enoic acid,CCCCCCCCCCCCCCOC(=O)\\C=C\\C(=O)O,CCCCCCCCCCCCCCOC(=O)\C=C\C(=O)O,"InChI=1/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20/h14-15H,2-13,16H2,1H3,(H,19,20)",C18H32O4,,,,,,DQHWXDMKGYBSRD-CCEZHUSRSA-N,,,,,,,,,,,
100.051.089,256-216-2,45275-74-9,"N,N-dimethylicosylamine","N,N-dimethylicosan-1-amine",CCCCCCCCCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCCCCCCCN(C)C,"InChI=1/C22H47N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h4-22H2,1-3H3",C22H47N,,,,,,AYNZRGVSQNDHIX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.094,256-222-5,45294-21-1,Henicosyl acrylate,henicosyl acrylate,CCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(25)4-2/h4H,2-3,5-23H2,1H3",C24H46O2,,,,,,OYHXRBXEKFHLIB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.099,256-227-2,45300-87-6,"3,6,9,12-tetraoxatetracosyl dihydrogen phosphate","3,6,9,12-tetraoxatetracos-1-yl dihydrogen phosphate",CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)O,CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)O,"InChI=1/C20H43O8P/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-14-25-15-16-26-17-18-27-19-20-28-29(21,22)23/h2-20H2,1H3,(H2,21,22,23)",C20H43O8P,,,,,,PSBRNAUTQGUEPB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.102,256-230-9,45310-14-3,N-hexadecyloctadecylamine,N-hexadecyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC,"InChI=1/C34H71N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3",C34H71N,,,,,,YPMXMXFOJOBIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.108,256-237-7,45326-01-0,"2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]propane-1,3-diyl didocosanoate",3-(docosanoyloxy)-2-[(docosanoyloxy)methyl]-2-(hydroxymethyl)propyl docosanoate (non-preferred name),CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C71H138O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-68(73)76-65-71(64-72,66-77-69(74)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)67-78-70(75)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h72H,4-67H2,1-3H3",C71H138O7,,,,,,VKOJUMXWQCTCFG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.110,256-239-8,45497-73-2,Anilinium iodide,anilinium iodide,[I-].[NH3+]c1ccccc1,[I-].[NH3+]c1ccccc1,"InChI=1/C6H7N.HI/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H",C6H7N.HI,,,,,,KFQARYBEAKAXIC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.118,256-248-7,45867-11-6,2-amino-5-chloropyrimidine-4-carboxylic acid,2-amino-5-chloropyrimidine-4-carboxylic acid,Nc1ncc(Cl)c(n1)C(=O)O,Nc1ncc(Cl)c(n1)C(=O)O,"InChI=1/C5H4ClN3O2/c6-2-1-8-5(7)9-3(2)4(10)11/h1H,(H,10,11)(H2,7,8,9)",C5H4ClN3O2,,,,,,PDLZOTZLGNZOFS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.119,256-249-2,45977-24-0,"N-(2,3-epoxypropyl)-N-methylmorpholinium chloride",4-methyl-4-(oxiran-2-ylmethyl)morpholin-4-ium chloride,[Cl-].C[N+]1(CC2CO2)CCOCC1,[Cl-].C[N+]1(CC2CO2)CCOCC1,"InChI=1/C8H16NO2.ClH/c1-9(6-8-7-11-8)2-4-10-5-3-9;/h8H,2-7H2,1H3;1H/q+1;/p-1",C8H16NO2.Cl,,,,,,JLHFVIHSWVYOFK-UHFFFAOYSA-M,,,,,,,,,,,
100.051.120,256-250-8,46032-98-8,"[R(R*,R*)]-2-amino-1-phenylpropane-1,3-diol","2-amino-1-phenylpropane-1,3-diol",NC(CO)C(O)c1ccccc1,NC(CO)C(O)c1ccccc1,"InChI=1/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2",C9H13NO2,,,,,,JUCGVCVPNPBJIG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.122,256-252-9,46038-83-9,N-ethoxy-N-ethylaniline,N-ethoxy-N-ethylaniline,CCON(CC)c1ccccc1,CCON(CC)c1ccccc1,"InChI=1/C10H15NO/c1-3-11(12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C10H15NO,,,,,,UBCKKDUHVZNHMG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.054,252-875-5,36117-08-5,"3-(dodecenyl)pyrrolidine-2,5-dione","3-dodec-1-en-1-ylpyrrolidine-2,5-dione",O=C1NC(=O)CC1C=CCCCCCCCCCC,O=C1NC(=O)CC1C=CCCCCCCCCCC,"InChI=1/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17-16(14)19/h11-12,14H,2-10,13H2,1H3,(H,17,18,19)",C16H27NO2,,,,,,YGFOTRAPPJDADS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.062,252-883-9,36138-79-1,"Bis(benzyl) 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","dibenzyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(CC(=C(C)N1)C(=O)OCc2ccccc2)C(=O)OCc3ccccc3,CC1=C(CC(=C(C)N1)C(=O)OCc2ccccc2)C(=O)OCc3ccccc3,"InChI=1/C23H23NO4/c1-16-20(22(25)27-14-18-9-5-3-6-10-18)13-21(17(2)24-16)23(26)28-15-19-11-7-4-8-12-19/h3-12,24H,13-15H2,1-2H3",C23H23NO4,,,,,,LWHZWKSQCVJBGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.071,252-893-3,36157-40-1,"1-(2,5-dichloro-3-thienyl)ethan-1-one","1-(2,5-dichloro-3-thienyl)ethanone",CC(=O)c1cc(Cl)sc1Cl,CC(=O)c1cc(Cl)sc1Cl,"InChI=1/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3",C6H4Cl2OS,,,,,,GYFDNIRENHZKGR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.977,252-790-3,35923-65-0,7-oxoheptanoic acid,7-oxoheptanoic acid,OC(=O)CCCCCC=O,OC(=O)CCCCCC=O,"InChI=1/C7H12O3/c8-6-4-2-1-3-5-7(9)10/h6H,1-5H2,(H,9,10)",C7H12O3,,,,,,OOFMTFUTWFAVGC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.980,252-794-5,35926-04-6,1-propylallyl acetate,1-vinylbutyl acetate,CCCC(OC(=O)C)C=C,CCCC(OC(=O)C)C=C,"InChI=1/C8H14O2/c1-4-6-8(5-2)10-7(3)9/h5,8H,2,4,6H2,1,3H3",C8H14O2,,,,,,XCAHGFCKEWDQJK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.990,252-804-8,35944-73-1,"Cyclopentane-1,3-disulphonyl difluoride","cyclopentane-1,3-disulfonyl difluoride",FS(=O)(=O)C1CCC(C1)S(=O)(=O)F,FS(=O)(=O)C1CCC(C1)S(=O)(=O)F,"InChI=1/C5H8F2O4S2/c6-12(8,9)4-1-2-5(3-4)13(7,10)11/h4-5H,1-3H2",C5H8F2O4S2,,,,,,AEBJPMMMKMMACK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.999,252-814-2,35954-29-1,"2,4-dihydro-4-[[2-hydroxy-5-(methylsulphonyl)-4-nitrophenyl]azo]-5-methyl-2-phenyl-3H-pyrazol-3-one","4-{[2-hydroxy-5-(methylsulfonyl)-4-nitrophenyl]diazenyl}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)cc3[N+]([O-])=O,CS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)cc3[N+]([O-])=O,"InChI=1/C17H15N5O6S/c1-10-16(17(24)21(20-10)11-6-4-3-5-7-11)19-18-12-8-15(29(2,27)28)13(22(25)26)9-14(12)23/h3-9,16,23H,1-2H3",C17H15N5O6S,,,,,,MOWONGIRBKAENJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.500,254-469-3,39481-55-5,1-[10-(3-chloropropyl)-10H-phenothiazin-2-yl]ethan-1-one,1-[10-(3-chloropropyl)-10H-phenothiazin-2-yl]ethanone,CC(=O)c1ccc2Sc3ccccc3N(CCCCl)c2c1,CC(=O)c1ccc2Sc3ccccc3N(CCCCl)c2c1,"InChI=1/C17H16ClNOS/c1-12(20)13-7-8-17-15(11-13)19(10-4-9-18)14-5-2-3-6-16(14)21-17/h2-3,5-8,11H,4,9-10H2,1H3",C17H16ClNOS,,,,,,LSYMJLKGKFWMLP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.501,254-470-9,39482-87-6,"N-[dimethyl(3,3,3-trifluoropropyl)silyl]-1,1-dimethyl-1-(3,3,3-trifluoropropyl)silylamine","N-[dimethyl(3,3,3-trifluoropropyl)silyl]-1,1-dimethyl-1-(3,3,3-trifluoropropyl)silanamine",C[Si](C)(CCC(F)(F)F)N[Si](C)(C)CCC(F)(F)F,C[Si](C)(CCC(F)(F)F)N[Si](C)(C)CCC(F)(F)F,"InChI=1/C10H21F6NSi2/c1-18(2,7-5-9(11,12)13)17-19(3,4)8-6-10(14,15)16/h17H,5-8H2,1-4H3",C10H21F6NSi2,,,,,,ITRFWRDOAWGZFV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.503,254-473-5,39494-05-8,trans-octahydro-1H-1-pyrindine,octahydro-1H-cyclopenta[b]pyridine,C1CNC2CCCC2C1,C1CNC2CCCC2C1,"InChI=1/C8H15N/c1-3-7-4-2-6-9-8(7)5-1/h7-9H,1-6H2",C8H15N,,,,,,CJNWCWVQGCSQRA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.505,254-475-6,39499-34-8,5-methylisoxazole-3-carbonyl chloride,5-methylisoxazole-3-carbonyl chloride,Cc1onc(c1)C(=O)Cl,Cc1onc(c1)C(=O)Cl,"InChI=1/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3",C5H4ClNO2,,,,,,XMVNMWDLOGSUSM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.506,254-476-1,39507-96-5,"3,5-dimethoxy-a,a-dimethylbenzyl alcohol","2-(3,5-dimethoxyphenyl)propan-2-ol",COc1cc(OC)cc(c1)C(C)(C)O,COc1cc(OC)cc(c1)C(C)(C)O,"InChI=1/C11H16O3/c1-11(2,12)8-5-9(13-3)7-10(6-8)14-4/h5-7,12H,1-4H3",C11H16O3,,,,,,HJWIHSLWFROGED-UHFFFAOYSA-N,,,,,,,,,,,
100.049.509,254-479-8,39512-49-7,4-(p-chlorophenyl)piperidin-4-ol,4-(4-chlorophenyl)piperidin-4-ol,OC1(CCNCC1)c2ccc(Cl)cc2,OC1(CCNCC1)c2ccc(Cl)cc2,"InChI=1/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2",C11H14ClNO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18572,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.509,LZAYOZUFUAMFLD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.515,254-486-6,39515-47-4,(3-phenoxyphenyl)glycolonitrile,hydroxy(3-phenoxyphenyl)acetonitrile,OC(C#N)c1cccc(Oc2ccccc2)c1,OC(C#N)c1cccc(Oc2ccccc2)c1,"InChI=1/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H",C14H11NO2,,,,,,GXUQMKBQDGPMKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.517,254-488-7,39516-91-1,5-decenedioic acid,dec-5-enedioic acid,OC(=O)CCCC=CCCCC(O)=O,OC(=O)CCCC=CCCCC(O)=O,"InChI=1/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-2H,3-8H2,(H,11,12)(H,13,14)",C10H16O4,,,,,,WAGQZQAZCIOEDU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.521,254-492-9,39525-69-4,Tetradec-2-enoic acid,tetradec-2-enoic acid,OC(=O)C=CCCCCCCCCCCC,OC(=O)C=CCCCCCCCCCCC,"InChI=1/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)",C14H26O2,,,,,,IBYFOBGPNPINBU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.329,256-480-9,49763-96-4,Stiripentol,"1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol",CC(C)(C)C(O)C=Cc1ccc2OCOc2c1,CC(C)(C)C(O)C=Cc1ccc2OCOc2c1,"InChI=1/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3",C14H18O3,,,,,,IBLNKMRFIPWSOY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.330,256-481-4,49769-60-0,a-hydroxypyridine-3-acetic acid,hydroxy(pyridin-3-yl)acetic acid,OC(C(=O)O)c1cccnc1,OC(C(=O)O)c1cccnc1,"InChI=1/C7H7NO3/c9-6(7(10)11)5-2-1-3-8-4-5/h1-4,6,9H,(H,10,11)",C7H7NO3,,,,,,CEJOQRNGUDYAKK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.057,256-181-3,45021-77-0,Trimethyl-3-[(1-oxoallyl)amino]propylammonium chloride,"3-(acryloylamino)-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)CCCNC(=O)C=C,[Cl-].C[N+](C)(C)CCCNC(=O)C=C,"InChI=1/C9H18N2O.ClH/c1-5-9(12)10-7-6-8-11(2,3)4;/h5H,1,6-8H2,2-4H3;1H",C9H19N2O.Cl,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1706,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.057,OEIXGLMQZVLOQX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.058,256-182-9,45022-27-3,tert-butyl hydrogen maleate,4-tert-butoxy-4-oxobut-2-enoic acid,CC(C)(C)OC(=O)\\C=C/C(=O)O,CC(C)(C)OC(=O)\C=C/C(=O)O,"InChI=1/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)",C8H12O4,,,,,,BAXKSCVINAKVNE-PLNGDYQASA-N,,,,,,,,,,,
100.051.061,256-186-0,45037-67-0,Sebacaldehyde,sebacaldehyde,O=CCCCCCCCCC=O,O=CCCCCCCCCC=O,"InChI=1/C10H18O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9-10H,1-8H2",C10H18O2,,,,,,ZNWNWEHQFXOPGK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.063,256-188-1,45083-20-3,N-[(vinyloxy)carbonyl]-L-threonine,N-[(vinyloxy)carbonyl]-L-threonine,CC(O)[C@H](NC(=O)OC=C)C(=O)O,CC(O)[C@H](NC(=O)OC=C)C(=O)O,"InChI=1/C7H11NO5/c1-3-13-7(12)8-5(4(2)9)6(10)11/h3-5,9H,1H2,2H3,(H,8,12)(H,10,11)",C7H11NO5,,,,,,BIYRYXIBPQJLIG-AKGZTFGVSA-N,,,,,,,,,,,
100.051.065,256-190-2,45103-58-0,2-(2-methoxyethoxy)ethyl methacrylate,2-(2-methoxyethoxy)ethyl methacrylate,COCCOCCOC(=O)C(=C)C,COCCOCCOC(=O)C(=C)C,"InChI=1/C9H16O4/c1-8(2)9(10)13-7-6-12-5-4-11-3/h1,4-7H2,2-3H3",C9H16O4,,,,,,DAVVKEZTUOGEAK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.066,256-191-8,45115-53-5,"2,2,3,3,3-pentafluoropropyl methacrylate","2,2,3,3,3-pentafluoropropyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)F,"InChI=1/C7H7F5O2/c1-4(2)5(13)14-3-6(8,9)7(10,11)12/h1,3H2,2H3",C7H7F5O2,,,,,,CLISWDZSTWQFNX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.077,256-203-1,45180-95-8,2-[2-(2-ethoxyethoxy)ethoxy]ethyl acrylate,2-[2-(2-ethoxyethoxy)ethoxy]ethyl acrylate,CCOCCOCCOCCOC(=O)C=C,CCOCCOCCOCCOC(=O)C=C,"InChI=1/C11H20O5/c1-3-11(12)16-10-9-15-8-7-14-6-5-13-4-2/h3H,1,4-10H2,2H3",C11H20O5,,,,,,WPDXVLVDHUDHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.080,256-206-8,45210-10-4,"15-amino-4,7,10,13-tetraazapentadecan-2-ol","1-amino-3,6,9,12-tetraazapentadecan-14-ol",CC(O)CNCCNCCNCCNCCN,CC(O)CNCCNCCNCCNCCN,"InChI=1/C11H29N5O/c1-11(17)10-16-9-8-15-7-6-14-5-4-13-3-2-12/h11,13-17H,2-10,12H2,1H3",C11H29N5O,,,,,,LQZFWZLHIHJDMC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.019,252-836-2,36016-38-3,tert-butyl N-hydroxycarbamate,tert-butyl hydroxycarbamate,CC(C)(C)OC(=O)NO,CC(C)(C)OC(=O)NO,"InChI=1/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)",C5H11NO3,,,,,,DRDVJQOGFWAVLH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.028,252-846-7,36049-77-1,"N,N'-dicyclohexyl-N-methylcarbodiimidium iodide",N-[(cyclohexylimino)methylene]-N-methylcyclohexanaminium iodide,[I-].C[N+](=C=NC1CCCCC1)C2CCCCC2,[I-].C[N+](=C=NC1CCCCC1)C2CCCCC2,"InChI=1/C14H25N2.HI/c1-16(14-10-6-3-7-11-14)12-15-13-8-4-2-5-9-13;/h13-14H,2-11H2,1H3;1H/q+1;/p-1",C14H25N2.I,,,,,,LRUDWUSDXIPMDX-UHFFFAOYSA-M,,,,,,,,,,,
100.048.033,252-851-4,36059-21-9,"Xylene, tetrabromo derivative","1,2,3,4-tetrabromo-5,6-dimethylbenzene",Cc1c(C)c(Br)c(Br)c(Br)c1Br,Cc1c(C)c(Br)c(Br)c(Br)c1Br,InChI=1/C8H6Br4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h1-2H3,C8H6Br4,,,,,,WVJRAJZMOVQFEC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.039,252-858-2,36065-15-3,"(1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime","1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime",CC1(C)C2CC[C@]1(C)\\C(=N\\O)\\C2,CC1(C)C2CC[C@]1(C)\C(=N\O)\C2,"InChI=1/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3",C10H17NO,,,,,,OVFDEGGJFJECAT-SRLSOSSYSA-N,,,,,,,,,,,
100.048.043,252-862-4,36078-10-1,Dodecyl oleate,dodecyl octadec-9-enoate,CCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h16-17H,3-15,18-29H2,1-2H3",C30H58O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15983,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.043,OXPCWUWUWIWSGI-MSUUIHNZSA-N,,,,,,,,,,,
100.048.044,252-864-5,36086-89-2,"Diethyl 2,2'-[(4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy)]bisacetate","diethyl 2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-diyl)bis(oxy)]diacetate",CCOC(=O)COc1cc(OCC(=O)OCC)c2C(=O)C=C(Oc2c1)c3ccccc3,CCOC(=O)COc1cc(OCC(=O)OCC)c2C(=O)C=C(Oc2c1)c3ccccc3,"InChI=1/C23H22O8/c1-3-27-21(25)13-29-16-10-19(30-14-22(26)28-4-2)23-17(24)12-18(31-20(23)11-16)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3",C23H22O8,,,,,,ITJJTERMXJOUEE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.720,252-507-3,35309-87-6,"2,6-di-tert-butyl-4-octylphenol","2,6-di-tert-butyl-4-octylphenol",CCCCCCCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCCCCCCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C22H38O/c1-8-9-10-11-12-13-14-17-15-18(21(2,3)4)20(23)19(16-17)22(5,6)7/h15-16,23H,8-14H2,1-7H3",C22H38O,,,,,,NICMVXRQHWVBAP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.721,252-508-9,35311-12-7,Curium trinitrate,curium(3+) trinitrate,[Cm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Cm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Cm.3NO3/c;3*2-1(3)4/q+3;3*-1,Cm.3HNO3,,,,,,ZXXQLEFJAORCKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.553,255-627-4,42019-78-3,4-chloro-4'-hydroxybenzophenone,(4-chlorophenyl)(4-hydroxyphenyl)methanone,Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,"InChI=1/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H",C13H9ClO2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13794,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.553,RUETVLNXAGWCDS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.556,255-631-6,42025-68-3,"2,2-diethoxyethylammonium chloride","2,2-diethoxyethanaminium chloride",[Cl-].CCOC(C[NH3+])OCC,[Cl-].CCOC(C[NH3+])OCC,"InChI=1/C6H15NO2.ClH/c1-3-8-6(5-7)9-4-2;/h6H,3-5,7H2,1-2H3;1H",C6H15NO2.ClH,,,,,,ZVBTUWNZDSXGPB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.560,255-635-8,42036-78-2,Octyltriphenylphosphonium bromide,octyl(triphenyl)phosphonium bromide,[Br-].CCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C26H32P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h7-15,17-22H,2-6,16,23H2,1H3;1H/q+1;/p-1",C26H32P.Br,,,,,,OBLXVLWZBMAMHE-UHFFFAOYSA-M,,,,,,,,,,,
100.050.563,255-638-4,42056-95-1,2-(hydroxyimino)-N-(2-methoxyphenyl)-3-oxobutyramide,2-(hydroxyimino)-N-(2-methoxyphenyl)-3-oxobutanamide,COc1ccccc1NC(=O)C(=NO)C(C)=O,COc1ccccc1NC(=O)C(=NO)C(C)=O,"InChI=1/C11H12N2O4/c1-7(14)10(13-16)11(15)12-8-5-3-4-6-9(8)17-2/h3-6,16H,1-2H3,(H,12,15)",C11H12N2O4,,,,,,DYBHMKMYRGOXDC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.442,253-303-7,36996-87-9,"2,2'-[methylenedi(oxy)]bis[ethyl(dimethyl)amine]","2,2'-[methylenebis(oxy)]bis(N,N-dimethylethanamine)",CN(C)CCOCOCCN(C)C,CN(C)CCOCOCCN(C)C,"InChI=1/C9H22N2O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h5-9H2,1-4H3",C9H22N2O2,,,,,,GIAGDEKSOVTMFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.444,253-305-8,36997-29-2,N-(2-ethylhexyl)benzenesulphonamide,N-(2-ethylhexyl)benzenesulfonamide,CCCCC(CC)CNS(=O)(=O)c1ccccc1,CCCCC(CC)CNS(=O)(=O)c1ccccc1,"InChI=1/C14H23NO2S/c1-3-5-9-13(4-2)12-15-18(16,17)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12H2,1-2H3",C14H23NO2S,,,,,,ACSJOJBMNBXQTG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.445,253-306-3,37002-45-2,"(4S-trans)-2,2-dimethyl-1,3-dioxolane-4,5-dimethyl bis(toluene-p-sulphonate)","(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)",Cc1ccc(cc1)S(=O)(=O)OCC2OC(C)(C)OC2COS(=O)(=O)c3ccc(C)cc3,Cc1ccc(cc1)S(=O)(=O)OCC2OC(C)(C)OC2COS(=O)(=O)c3ccc(C)cc3,"InChI=1/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3",C21H26O8S2,,,,,,KPFDKWNWYAXRNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.446,253-307-9,37002-48-5,"(+)-2,2-dimethyl-4,5-((diphenylphosphino)dimethyl)dioxolane","[(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)]bis(diphenylphosphine)",CC1(C)OC(CP(c2ccccc2)c3ccccc3)C(CP(c4ccccc4)c5ccccc5)O1,CC1(C)OC(CP(c2ccccc2)c3ccccc3)C(CP(c4ccccc4)c5ccccc5)O1,"InChI=1/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3",C31H32O2P2,,,,,,VCHDBLPQYJAQSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.463,253-326-2,37052-78-1,"1,3-dihydro-5-methoxy-2H-benzimidazole-2-thione","5-methoxy-1,3-dihydro-2H-benzimidazole-2-thione",COc1ccc2NC(=S)Nc2c1,COc1ccc2NC(=S)Nc2c1,"InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)",C8H8N2OS,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12249,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.463,KOFBRZWVWJCLGM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.468,253-332-5,37067-27-9,Potassium p-hydroxyphenyl sulphate,potassium 4-hydroxyphenyl sulfate,[K+].Oc1ccc(OS(=O)(=O)[O-])cc1,[K+].Oc1ccc(OS(=O)(=O)[O-])cc1,"InChI=1/C6H6O5S.K/c7-5-1-3-6(4-2-5)11-12(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1",C6H6O5S.K,,,,,,KYQHUXZXYUBUPX-UHFFFAOYSA-M,,,,,,,,,,,
100.048.475,253-339-3,37078-97-0,6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]naphthalene-2-sulphonic acid,6-amino-4-hydroxy-5-{[2-(trifluoromethyl)phenyl]diazenyl}naphthalene-2-sulfonic acid,FC(F)(F)c3ccccc3N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O,FC(F)(F)c3ccccc3N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O,"InChI=1/C17H12F3N3O4S/c18-17(19,20)11-3-1-2-4-13(11)22-23-16-12(21)6-5-9-7-10(28(25,26)27)8-14(24)15(9)16/h1-8,24H,21H2,(H,25,26,27)",C17H12F3N3O4S,,,,,,DIAXRUOBYBLEJE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.478,253-343-5,37087-01-7,Ammonium naphthalene-2-sulphonate,ammonium naphthalene-2-sulfonate,[NH4+].[O-]S(=O)(=O)c1ccc2ccccc2c1,[NH4+].[O-]S(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H8O3S.H3N/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);1H3",C10H8O3S.H3N,,,,,,ICZCGYVEJDDKLM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.798,256-996-4,51121-88-1,"2,4-dimethyloctane-1,8-diamine","2,4-dimethyloctane-1,8-diamine",CC(CN)CC(C)CCCCN,CC(CN)CC(C)CCCCN,"InChI=1/C10H24N2/c1-9(5-3-4-6-11)7-10(2)8-12/h9-10H,3-8,11-12H2,1-2H3",C10H24N2,,,,,,SQAPJTNHAUBTOP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.803,257-002-1,51134-60-2,3-bromooctan-2-one,3-bromooctan-2-one,CCCCCC(Br)C(=O)C,CCCCCC(Br)C(=O)C,"InChI=1/C8H15BrO/c1-3-4-5-6-8(9)7(2)10/h8H,3-6H2,1-2H3",C8H15BrO,,,,,,RXVLGSOXBONDHK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.805,257-004-2,51136-86-8,"Tris(2-ethylhexanoic) acid, trianhydride with boric acid",tris(2-ethylhexanoyl) borate,CCCCC(CC)C(=O)OB(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OB(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1/C24H45BO6/c1-7-13-16-19(10-4)22(26)29-25(30-23(27)20(11-5)17-14-8-2)31-24(28)21(12-6)18-15-9-3/h19-21H,7-18H2,1-6H3",C24H45BO6,,,,,,NREHJWUDMQQZAP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.083,252-907-8,36196-44-8,"(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)triethane-2,1-diyl tris(3-mercaptopropionate)","(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl tris(3-sulfanylpropanoate)",SCCC(=O)OCCN1C(=O)N(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C1=O,SCCC(=O)OCCN1C(=O)N(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C1=O,"InChI=1/C18H27N3O9S3/c22-13(1-10-31)28-7-4-19-16(25)20(5-8-29-14(23)2-11-32)18(27)21(17(19)26)6-9-30-15(24)3-12-33/h31-33H,1-12H2",C18H27N3O9S3,,,,,,CFKONAWMNQERAG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.092,252-917-2,36211-43-5,"Barium 3,5,5-trimethylhexanoate","barium bis(3,5,5-trimethylhexanoate)",[Ba+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,[Ba+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/2C9H18O2.Ba/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Ba,,,,,,HYVAOIFCEISHMZ-UHFFFAOYSA-L,,,,,,,,,,,
100.048.093,252-918-8,36211-44-6,"Cadmium 3,5,5-trimethylhexanoate","cadmium bis(3,5,5-trimethylhexanoate)",[Cd+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,[Cd+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/2C9H18O2.Cd/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Cd,,,,,,KWPUGVFGOSNYQG-UHFFFAOYSA-L,,,,,,,,,,,
100.048.094,252-919-3,36215-07-3,1-chloro-3-methoxypropane,1-chloro-3-methoxypropane,COCCCCl,COCCCCl,"InChI=1/C4H9ClO/c1-6-4-2-3-5/h2-4H2,1H3",C4H9ClO,,,,,,BQLHMMQUVJCTAN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.096,252-921-4,36215-91-5,Iron(2+) palmitate,iron(2+) dihexadecanoate,[Fe+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Fe+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Fe,,,,,,YNQVTHFOJBTQHC-UHFFFAOYSA-L,,,,,,,,,,,
100.049.267,254-213-0,38952-42-0,Diisobutylcarbamoyl chloride,diisobutylcarbamic chloride,CC(C)CN(CC(C)C)C(=O)Cl,CC(C)CN(CC(C)C)C(=O)Cl,"InChI=1/C9H18ClNO/c1-7(2)5-11(9(10)12)6-8(3)4/h7-8H,5-6H2,1-4H3",C9H18ClNO,,,,,,FPXIFEJHRVQGOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.268,254-214-6,38952-49-7,Barium bis[3-(dodecylthio)propionate],barium bis[3-(dodecylsulfanyl)propanoate],[Ba+2].CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-],"InChI=1/2C15H30O2S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2",C15H30O2S.1/2Ba,,,,,,UMVQPLCVZQYGDJ-UHFFFAOYSA-L,,,,,,,,,,,
100.049.270,254-216-7,38953-16-1,"Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate","magnesium bis[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate]",[Mg+2].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O.CN3C(=O)N(C)c4ncn(CC(=O)[O-])c4C3=O,[Mg+2].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O.CN3C(=O)N(C)c4ncn(CC(=O)[O-])c4C3=O,"InChI=1/2C9H10N4O4.Mg/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h2*4H,3H2,1-2H3,(H,14,15);/q;;+2/p-2",C9H10N4O4.1/2Mg,,,,,,TYERUTUVDKNUGR-UHFFFAOYSA-L,,,,,,,,,,,
100.049.271,254-217-2,38953-40-1,6-amino-2-methyl-5-(sulphooxy)-1H-pyrimidin-4-one,"6-amino-2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl hydrogen sulfate",CC1=NC(=O)C(=C(N)N1)OS(=O)(=O)O,CC1=NC(=O)C(=C(N)N1)OS(=O)(=O)O,"InChI=1/C5H7N3O5S/c1-2-7-4(6)3(5(9)8-2)13-14(10,11)12/h1H3,(H,10,11,12)(H3,6,7,8,9)",C5H7N3O5S,,,,,,SSXNTGYQTHBGCL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.281,254-228-2,38970-76-2,Dilithium salicylate,dilithium salicylate,[Li+].[Li+].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],[Li+].[Li+].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-],"InChI=1/2C7H6O3.2Li/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+1/p-2",C7H6O3.2Li,,,,,,IYYQKJJBYMRUMW-UHFFFAOYSA-L,,,,,,,,,,,
100.049.285,254-232-4,38978-80-2,2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl benzoate,2-(ethyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethyl benzoate,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC)CCOC(=O)c2ccccc2)cc3,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC)CCOC(=O)c2ccccc2)cc3,"InChI=1/C23H22N4O4/c1-2-26(16-17-31-23(28)18-6-4-3-5-7-18)21-12-8-19(9-13-21)24-25-20-10-14-22(15-11-20)27(29)30/h3-15H,2,16-17H2,1H3",C23H22N4O4,,,,,,HFAUUNNJWQYWET-UHFFFAOYSA-N,,,,,,,,,,,
100.049.289,254-237-1,38985-64-7,o-fluorophenyl isothiocyanate,1-fluoro-2-isothiocyanatobenzene,Fc1ccccc1N=C=S,Fc1ccccc1N=C=S,InChI=1/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,C7H4FNS,,,,,,OAGDRIUTLPDSMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.296,254-245-5,39003-36-6,"1,8-dihydroxy-2,5-dinitroanthraquinone","1,8-dihydroxy-2,5-dinitro-9,10-anthraquinone",Oc1ccc(c2C(=O)c3ccc(c(O)c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],Oc1ccc(c2C(=O)c3ccc(c(O)c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H6N2O8/c17-8-4-3-6(15(21)22)10-11(8)14(20)9-5(12(10)18)1-2-7(13(9)19)16(23)24/h1-4,17,19H",C14H6N2O8,,,,,,WZFXDVLVEULHSB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.300,254-249-7,39022-39-4,"a-[(methylamino)methyl]-9,10-ethanoanthracene-9(10H)-ethanol hydrochloride","1-(9,10-ethanoanthracen-9(10H)-yl)-3-(methylamino)propan-2-ol hydrochloride",Cl.CNCC(O)CC12CCC(c3ccccc13)c4ccccc24,Cl.CNCC(O)CC12CCC(c3ccccc13)c4ccccc24,"InChI=1/C20H23NO.ClH/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20;/h2-9,14-15,21-22H,10-13H2,1H3;1H",C20H23NO.ClH,,,,,,MUOSVLIKDZRWMP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.452,256-616-7,50530-43-3,"5-(dodecyldithio)-1,3,4-thiadiazole-2(3H)-thione","5-(dodecyldisulfanyl)-1,3,4-thiadiazole-2(3H)-thione",CCCCCCCCCCCCSSC1=NNC(=S)S1,CCCCCCCCCCCCSSC1=NNC(=S)S1,"InChI=1/C14H26N2S4/c1-2-3-4-5-6-7-8-9-10-11-12-18-20-14-16-15-13(17)19-14/h2-12H2,1H3,(H,15,17)",C14H26N2S4,,,,,,JGKULQMKNNNNKK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.334,256-486-1,49776-52-5,"N,N'-[(6-phenyl-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)","N,N'-{(6-phenyl-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]}dibenzamide",O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)nc(n4)c9ccccc9)cccc3C(=O)c12)c%10ccccc%10,O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)nc(n4)c9ccccc9)cccc3C(=O)c12)c%10ccccc%10,"InChI=1/C51H31N7O6/c59-43-33-22-12-26-37(41(33)45(61)31-20-10-24-35(39(31)43)52-48(63)29-16-6-2-7-17-29)54-50-56-47(28-14-4-1-5-15-28)57-51(58-50)55-38-27-13-23-34-42(38)46(62)32-21-11-25-36(40(32)44(34)60)53-49(64)30-18-8-3-9-19-30/h1-27H,(H,52,63)(H,53,64)(H2,54,55,56,57,58)",C51H31N7O6,,,,,,LBNIKCRMTGDHFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.342,256-495-0,49798-31-4,3-phenylpyrrolidin-3-ol,3-phenylpyrrolidin-3-ol,OC1(CCNC1)c2ccccc2,OC1(CCNC1)c2ccccc2,"InChI=1/C10H13NO/c12-10(6-7-11-8-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2",C10H13NO,,,,,,AFQYBBFSDHKQJV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.343,256-496-6,49824-43-3,7-methyloctanal,7-methyloctanal,CC(C)CCCCCC=O,CC(C)CCCCCC=O,"InChI=1/C9H18O/c1-9(2)7-5-3-4-6-8-10/h8-9H,3-7H2,1-2H3",C9H18O,,,,,,JRPPVSMCCSLJPL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.348,256-501-1,49845-74-1,"2,2',2'',2'''-[(4,8-dipiperidinopyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetraethanol bis(toluene-p-sulphonate)","2,2',2'',2'''-[(4,8-dipiperidin-1-ylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetraethanol bis(4-methylbenzenesulfonate) (salt)",Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.OCCN(CCO)c3nc(N4CCCCC4)c5nc(nc(N6CCCCC6)c5n3)N(CCO)CCO,Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.OCCN(CCO)c3nc(N4CCCCC4)c5nc(nc(N6CCCCC6)c5n3)N(CCO)CCO,"InChI=1/C24H40N8O4.2C7H8O3S/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h33-36H,1-18H2;2*2-5H,1H3,(H,8,9,10)",C24H40N8O4.2C7H8O3S,,,,,,YFHSNCOUDBQMCI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.352,256-505-3,49866-87-7,"1,2-dimethyl-3,5-diphenyl-1H-pyrazolium","1,2-dimethyl-3,5-diphenyl-1H-pyrazol-2-ium",C[n+]1c(cc(c2ccccc2)n1C)c3ccccc3,C[n+]1c(cc(c2ccccc2)n1C)c3ccccc3,"InChI=1/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1",C17H17N2,,,,,,LBGPXIPGGRQBJW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.354,256-507-4,50257-39-1,"1-[(2,4,6-trimethylphenyl)sulphonyl]-1H-imidazole",1-(mesitylsulfonyl)-1H-imidazole,Cc1cc(C)c(c(C)c1)S(=O)(=O)n2ccnc2,Cc1cc(C)c(c(C)c1)S(=O)(=O)n2ccnc2,"InChI=1/C12H14N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)14-5-4-13-8-14/h4-8H,1-3H3",C12H14N2O2S,,,,,,XFHVQSPNDDOABS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.355,256-509-5,50257-40-4,"1-(2',4',6'-triisopropylbenzenesulphonyl)imidazole","1-[(2,4,6-triisopropylphenyl)sulfonyl]-1H-imidazole",CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2ccnc2,CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2ccnc2,"InChI=1/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3",C18H26N2O2S,,,,,,AGGRGODMKWLSDE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.358,256-512-1,50270-33-2,Isofezolac,"(1,3,4-triphenyl-1H-pyrazol-5-yl)acetic acid",OC(=O)Cc1c(c2ccccc2)c(nn1c3ccccc3)c4ccccc4,OC(=O)Cc1c(c2ccccc2)c(nn1c3ccccc3)c4ccccc4,"InChI=1/C23H18N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,27)",C23H18N2O2,,,,,,LZRDDINFIHUVCX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.359,256-513-7,50270-55-8,"1,3,4-triphenyl-1H-pyrazole-5-acetonitrile","(1,3,4-triphenyl-1H-pyrazol-5-yl)acetonitrile",N#CCc1c(c2ccccc2)c(nn1c3ccccc3)c4ccccc4,N#CCc1c(c2ccccc2)c(nn1c3ccccc3)c4ccccc4,"InChI=1/C23H17N3/c24-17-16-21-22(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)25-26(21)20-14-8-3-9-15-20/h1-15H,16H2",C23H17N3,,,,,,JKISWSOCTWDLSE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.360,256-514-2,50274-64-1,4-chlorophenyl 2-chloro-4-nitrophenyl ketone,(2-chloro-4-nitrophenyl)(4-chlorophenyl)methanone,[O-][N+](=O)c1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1,[O-][N+](=O)c1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1,InChI=1/C13H7Cl2NO3/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16(18)19)7-12(11)15/h1-7H,C13H7Cl2NO3,,,,,,FNWMOVINSBBOQA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.366,256-521-0,50277-31-1,"(E,E,Z)-undeca-1,3,5,8-tetraene","undeca-1,3,5,8-tetraene",C=CC=CC=CCC=CCC,C=CC=CC=CCC=CCC,"InChI=1/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5-9,11H,1,4,10H2,2H3",C11H16,,,,,,JXRWPVZILDJGFO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.367,256-522-6,50285-18-2,"1,1,1,2,2,3,4,5,5,5-decafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pentane","1,1,1,2,2,3,4,5,5,5-decafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pentane",FC(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C9F20/c10-1(4(13,14)9(27,28)29,2(11,5(15,16)17)6(18,19)20)3(12,7(21,22)23)8(24,25)26",C9F20,,,,,,GEXSLRJJTOFEMA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.664,257-950-6,52485-79-7,Buprenorphine,"17-(cyclopropylmethyl)-7-(1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol",CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56,CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56,"InChI=1/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3",C29H41NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18042,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.664,RMRJXGBAOAMLHD-IHFGGWKQSA-N,,,,,,,,,,,
100.052.665,257-951-1,52486-23-4,"(1a,3a,4a,6a)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",C[C@@H]1C[C@@H]2[C@H](C[C@@H]1O)C2(C)C,C[C@@H]1C[C@@H]2[C@H](C[C@@H]1O)C2(C)C,"InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,WHXOMZVLSNHION-HXFLIBJXSA-N,,,,,,,,,,,
100.047.725,252-513-6,35325-49-6,"Ethyl 2-cyano-4-[1,3-dihydro-1,3,3-trimethyl-5-(5-methyl-2-benzoxazolyl)-2H-indole-2-ylidene]-2-butenoate","ethyl 2-cyano-4-[1,3,3-trimethyl-5-(5-methyl-1,3-benzoxazol-2-yl)-1,3-dihydro-2H-indol-2-ylidene]but-2-enoate",CCOC(=O)C(C#N)=CC=C2N(C)c1ccc(cc1C2(C)C)c3nc4cc(C)ccc4o3,CCOC(=O)C(C#N)=CC=C2N(C)c1ccc(cc1C2(C)C)c3nc4cc(C)ccc4o3,"InChI=1/C26H25N3O3/c1-6-31-25(30)18(15-27)9-12-23-26(3,4)19-14-17(8-10-21(19)29(23)5)24-28-20-13-16(2)7-11-22(20)32-24/h7-14H,6H2,1-5H3",C26H25N3O3,,,,,,MPWHKYNUMSYUBY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.727,252-515-7,35329-42-1,Undec-1-en-3-ol,undec-1-en-3-ol,CCCCCCCCC(O)C=C,CCCCCCCCC(O)C=C,"InChI=1/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h4,11-12H,2-3,5-10H2,1H3",C11H22O,,,,,,NAOMHUDQUVEWEF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.730,252-518-3,35342-16-6,"Lithium 2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonate","lithium 6-methyl-2-{4-[(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonate",[Li+].O=C4NC(=O)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O,[Li+].O=C4NC(=O)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O,"InChI=1/C18H13N5O6S2.Li/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25;/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26);/q;+1/p-1",C18H13N5O6S2.Li,,,,,,IAQVYEDWPGJFDC-UHFFFAOYSA-M,,,,,,,,,,,
100.047.732,252-520-4,35342-88-2,Trimethylsilyl trimethylsilylcarbamate,trimethylsilyl (trimethylsilyl)carbamate,C[Si](C)(C)NC(=O)O[Si](C)(C)C,C[Si](C)(C)NC(=O)O[Si](C)(C)C,"InChI=1/C7H19NO2Si2/c1-11(2,3)8-7(9)10-12(4,5)6/h1-6H3,(H,8,9)",C7H19NO2Si2,,,,,,DGIJAZGPLFOQJE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.737,252-526-7,35357-77-8,Dimethyl diallylmalonate,dimethyl diallylmalonate,COC(=O)C(CC=C)(CC=C)C(=O)OC,COC(=O)C(CC=C)(CC=C)C(=O)OC,"InChI=1/C11H16O4/c1-5-7-11(8-6-2,9(12)14-3)10(13)15-4/h5-6H,1-2,7-8H2,3-4H3",C11H16O4,,,,,,SZIREXDQZMDDJM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.741,252-530-9,35368-68-4,2-(2-chlorophenoxy)acetamide,2-(2-chlorophenoxy)acetamide,NC(=O)COc1ccccc1Cl,NC(=O)COc1ccccc1Cl,"InChI=1/C8H8ClNO2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)",C8H8ClNO2,,,,,,VFUNLXYSSCTXBG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.744,252-534-0,35374-62-0,Cerium tris(2-methyl-2-propylhexanoate),cerium(3+) tris(2-methyl-2-propylhexanoate),[Ce+3].CCCCC(C)(CCC)C(=O)[O-].CCCCC(C)(CCC)C(=O)[O-].CCCCC(C)(CCC)C(=O)[O-],[Ce+3].CCCCC(C)(CCC)C(=O)[O-].CCCCC(C)(CCC)C(=O)[O-].CCCCC(C)(CCC)C(=O)[O-],"InChI=1/3C10H20O2.Ce/c3*1-4-6-8-10(3,7-5-2)9(11)12;/h3*4-8H2,1-3H3,(H,11,12);/q;;;+3/p-3",C10H20O2.1/3Ce,,,,,,YGTGPDBRUFALCC-UHFFFAOYSA-K,,,,,,,,,,,
100.047.745,252-535-6,35376-00-2,Methyl 7-oxoheptanoate,methyl 7-oxoheptanoate,COC(=O)CCCCCC=O,COC(=O)CCCCCC=O,"InChI=1/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h7H,2-6H2,1H3",C8H14O3,,,,,,NJVFYRBRYZXABC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.746,252-536-1,35379-58-9,Hydrogen 3-(2-carboxylatoethyl)-2-[2-[[3-(2-carboxylatoethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]benzothiazolium,"hydrogen 3-[2-(2-{[3-(2-carboxylatoethyl)-1,3-benzothiazol-3-ium-2-yl]methylene}butylidene)-1,3-benzothiazol-3(2H)-yl]propanoate",[H+].[O-]C(=O)CC[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2CCC([O-])=O,[H+].[O-]C(=O)CC[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2CCC([O-])=O,"InChI=1/C25H24N2O4S2.H2/c1-2-17(15-22-26(13-11-24(28)29)18-7-3-5-9-20(18)32-22)16-23-27(14-12-25(30)31)19-8-4-6-10-21(19)33-23;/h3-10,15-16H,2,11-14H2,1H3,(H-,28,29,30,31);1H/q;+1/p-1",C25H24N2O4S2,,,,,,KDSIASSODAWJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.747,252-537-7,35386-24-4,1-(2-methoxyphenyl)piperazine,1-(2-methoxyphenyl)piperazine,COc1ccccc1N2CCNCC2,COc1ccccc1N2CCNCC2,"InChI=1/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",C11H16N2O,,,,,,VNZLQLYBRIOLFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.749,252-539-8,35388-10-4,"3,4,5-trihydroxybenzoyl chloride","3,4,5-trihydroxybenzoyl chloride",Oc1cc(cc(O)c1O)C(=O)Cl,Oc1cc(cc(O)c1O)C(=O)Cl,"InChI=1/C7H5ClO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H",C7H5ClO4,,,,,,OHIRDULWWGGNJG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.257,254-202-0,38942-50-6,"2,4-dihydro-4,5-dimethyl-3H-1,2,4-triazole-3-thione","4,5-dimethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione",CN1C(=NNC1=S)C,CN1C(=NNC1=S)C,"InChI=1/C4H7N3S/c1-3-5-6-4(8)7(3)2/h1-2H3,(H,6,8)",C4H7N3S,,,,,,OTVCBBXLGYYSNC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.263,254-208-3,38950-28-6,"Sodium 3,4-dichlorobenzenesulphonate","sodium 3,4-dichlorobenzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(Cl)c(Cl)c1,[Na+].[O-]S(=O)(=O)c1ccc(Cl)c(Cl)c1,"InChI=1/C6H4Cl2O3S.Na/c7-5-2-1-4(3-6(5)8)12(9,10)11;/h1-3H,(H,9,10,11);/q;+1/p-1",C6H4Cl2O3S.Na,,,,,,AIXLZRHUNVRXTR-UHFFFAOYSA-M,,,,,,,,,,,
100.051.410,256-569-2,50382-11-1,Ethyl 4-chloro-2-(hydroxyimino)-3-oxobutyrate,ethyl 4-chloro-2-(hydroxyimino)-3-oxobutanoate,O=C(CCl)C(=NO)C(=O)OCC,O=C(CCl)C(=NO)C(=O)OCC,"InChI=1/C6H8ClNO4/c1-2-12-6(10)5(8-11)4(9)3-7/h11H,2-3H2,1H3",C6H8ClNO4,,,,,,WZFWZOMDWASODS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.411,256-570-8,50382-14-4,"1-(3,5-dimethyl-2-thienyl)ethan-1-one","1-(3,5-dimethyl-2-thienyl)ethanone",CC(=O)c1sc(C)cc1C,CC(=O)c1sc(C)cc1C,"InChI=1/C8H10OS/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3",C8H10OS,,,,,,FMKRVVWJCNTZMK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.413,256-572-9,50390-51-7,"2,4'-dimethylpropiophenone",2-methyl-1-(4-methylphenyl)propan-1-one,CC(C)C(=O)c1ccc(C)cc1,CC(C)C(=O)c1ccc(C)cc1,"InChI=1/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3",C11H14O,,,,,,VLKIRFAISMBUCB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.808,257-007-9,51138-28-4,"2,2'-[ethylenebis(oxy)]bis[1,3,2-dioxastibolane]","2,2'-[ethane-1,2-diylbis(oxy)]bis(1,3,2-dioxastibolane)",C(CO[Sb]1OCCO1)O[Sb]2OCCO2,C(CO[Sb]1OCCO1)O[Sb]2OCCO2,InChI=1/3C2H4O2.2Sb/c3*3-1-2-4;;/h3*1-2H2;;/q3*-2;2*+3/rC6H12O6Sb2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-6H2,C6H12O6Sb2,,,,,,JEPVJCOLPSALKN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.812,257-012-6,51143-35-2,"N,N'-pent-2-ene-1,5-diylidenedianiline hydrochloride","N,N'-pent-2-ene-1,5-diylidenedianiline hydrochloride",Cl.C(C=Nc1ccccc1)C=CC=Nc2ccccc2,Cl.C(C=Nc1ccccc1)C=CC=Nc2ccccc2,"InChI=1/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-8,10-15H,9H2;1H",C17H16N2.xClH,,,,,,JWYFJOIJMPZWDB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.815,257-015-2,51148-16-4,"1,1'-oxybispentadecane","1,1'-oxydipentadecane",CCCCCCCCCCCCCCCOCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCOCCCCCCCCCCCCCCC,"InChI=1/C30H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",C30H62O,,,,,,YGUGZXZLWIADHU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.818,257-018-9,51152-12-6,"[1S-(1a,2ß,5a)]-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol","(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methanol",CC1(C)C2CCC(CO)C1C2,CC1(C)C2CCC(CO)C1C2,"InChI=1/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,LDWAIHWGMRVEFR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.821,257-022-0,51156-89-9,Tribromophenyl methacrylate,"2,3,4-tribromophenyl methacrylate",CC(=C)C(=O)Oc1ccc(Br)c(Br)c1Br,CC(=C)C(=O)Oc1ccc(Br)c(Br)c1Br,"InChI=1/C10H7Br3O2/c1-5(2)10(14)15-7-4-3-6(11)8(12)9(7)13/h3-4H,1H2,2H3",C10H7Br3O2,,,,,,ZSVFYHKZQNDJEV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.822,257-023-6,51156-91-3,"Bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylate","4,5-bis{[2-(methacryloyloxy)ethoxy]carbonyl}phthalic acid",CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)O)c(cc1C(=O)OCCOC(=O)C(=C)C)C(=O)O,CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)O)c(cc1C(=O)OCCOC(=O)C(=C)C)C(=O)O,"InChI=1/C22H22O12/c1-11(2)19(27)31-5-7-33-21(29)15-9-13(17(23)24)14(18(25)26)10-16(15)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3,(H,23,24)(H,25,26)",C22H22O12,,,,,,QRHPRZPOTQIIMU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.827,257-028-3,51169-17-6,"5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione","5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione",Cc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3,Cc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3,"InChI=1/C16H14N2O2/c1-11-7-9-13(10-8-11)16(12-5-3-2-4-6-12)14(19)17-15(20)18-16/h2-10H,1H3,(H2,17,18,19,20)",C16H14N2O2,,,,,,WPAPSGQWYNPWCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.828,257-029-9,51170-58-2,"Bis(2-hydroxyethyl)ammonium 2-(2,4-dichlorophenoxy)propionate","2-hydroxy-N-(2-hydroxyethyl)ethanaminium 2-(2,4-dichlorophenoxy)propanoate",CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].OCC[NH2+]CCO,CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].OCC[NH2+]CCO,"InChI=1/C9H8Cl2O3.C4H11NO2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;6-3-1-5-2-4-7/h2-5H,1H3,(H,12,13);5-7H,1-4H2",C9H8Cl2O3.C4H11NO2,,,,,,LFJNIWNCBIFWHP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.829,257-030-4,51173-63-8,"Methylammonium (o,p-dichlorophenoxy)acetate","methanaminium (2,4-dichlorophenoxy)acetate",C[NH3+].[O-]C(=O)COc1ccc(Cl)cc1Cl,C[NH3+].[O-]C(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C8H6Cl2O3.CH5N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2/h1-3H,4H2,(H,11,12);2H2,1H3",C8H6Cl2O3.CH5N,,,,,,VQWMPJSLLQFUIB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.853,259-259-5,54619-29-3,2-chloropropyl toluene-4-sulphonate,2-chloropropyl 4-methylbenzenesulfonate,CC(Cl)COS(=O)(=O)c1ccc(C)cc1,CC(Cl)COS(=O)(=O)c1ccc(C)cc1,"InChI=1/C10H13ClO3S/c1-8-3-5-10(6-4-8)15(12,13)14-7-9(2)11/h3-6,9H,7H2,1-2H3",C10H13ClO3S,,,,,,DTCLMCCJGBPJJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.854,259-260-0,54628-06-7,Sodium p-nonylphenolate,sodium 4-nonylphenolate,[Na+].CCCCCCCCCc1ccc([O-])cc1,[Na+].CCCCCCCCCc1ccc([O-])cc1,"InChI=1/C15H24O.Na/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;/h10-13,16H,2-9H2,1H3;/q;+1/p-1",C15H24O.Na,,,,,,GRHLOHHSYRUYNE-UHFFFAOYSA-M,,,,,,,,,,,
100.053.860,259-266-3,54636-84-9,"N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide","N-(4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)tetradecanamide",CCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,CCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,"InChI=1/C29H36Cl4N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-27(38)34-21-14-15-22(31)25(18-21)35-26-19-28(39)37(36-26)29-23(32)16-20(30)17-24(29)33/h14-18H,2-13,19H2,1H3,(H,34,38)(H,35,36)",C29H36Cl4N4O2,,,,,,UDVIVSCMZQLZQL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.869,259-276-8,54649-24-0,Potassium hexyl sulphate,potassium hexyl sulfate,[K+].CCCCCCOS(=O)(=O)[O-],[K+].CCCCCCOS(=O)(=O)[O-],"InChI=1/C6H14O4S.K/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1",C6H14O4S.K,,,,,,AJKHLYLYOXLEEN-UHFFFAOYSA-M,,,,,,,,,,,
100.053.870,259-277-3,54649-97-7,"Boric acid, compd. with 1,3,5-triazine-2,4,6-triamine","1,3,5-triazine-2,4,6-triamine borate",Nc1nc(N)nc(N)n1.OB(O)O,Nc1nc(N)nc(N)n1.OB(O)O,"InChI=1/C3H6N6.BH3O3/c4-1-7-2(5)9-3(6)8-1;2-1(3)4/h(H6,4,5,6,7,8,9);2-4H",-,,,,,,IUTYMBRQELGIRS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.453,256-617-2,50533-97-6,"N,N-dimethylpiperidin-4-amine","N,N-dimethylpiperidin-4-amine",CN(C)C1CCNCC1,CN(C)C1CCNCC1,"InChI=1/C7H16N2/c1-9(2)7-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3",C7H16N2,,,,,,YFJAIURZMRJPDB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.463,256-628-2,50586-62-4,Cyanomethyl diethyl phosphate,cyanomethyl diethyl phosphate,CCOP(=O)(OCC)OCC#N,CCOP(=O)(OCC)OCC#N,"InChI=1/C6H12NO4P/c1-3-9-12(8,10-4-2)11-6-5-7/h3-4,6H2,1-2H3",C6H12NO4P,,,,,,IGMWDYQIKLLYQH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.464,256-629-8,50592-60-4,5-methylhex-5-enenitrile,5-methylhex-5-enenitrile,CC(=C)CCCC#N,CC(=C)CCCC#N,"InChI=1/C7H11N/c1-7(2)5-3-4-6-8/h1,3-5H2,2H3",C7H11N,,,,,,NETAIQQWYLQFTM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.466,256-631-9,50593-68-5,3-chloro-6-nitro-1H-indazole,3-chloro-6-nitro-1H-indazole,[O-][N+](=O)c1ccc2c(Cl)n[nH]c2c1,[O-][N+](=O)c1ccc2c(Cl)n[nH]c2c1,"InChI=1/C7H4ClN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)",C7H4ClN3O2,,,,,,IBTQINLHMGQUJU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.472,256-638-7,50597-58-5,2-(cyclohexylamino)ethanol hydrochloride,2-(cyclohexylamino)ethanol hydrochloride,Cl.OCCNC1CCCCC1,Cl.OCCNC1CCCCC1,"InChI=1/C8H17NO.ClH/c10-7-6-9-8-4-2-1-3-5-8;/h8-10H,1-7H2;1H",C8H17NO.ClH,,,,,,UXYCAYPSAAKDCH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.473,256-639-2,50598-28-2,N-[3-(dimethylamino)propyl]tridecafluorohexanesulphonamide,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide",CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H13F13N2O2S/c1-26(2)5-3-4-25-29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h25H,3-5H2,1-2H3",C11H13F13N2O2S,,,,,,INDOGKYZYLAGEM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.482,256-649-7,50606-97-8,4-octylbenzoyl chloride,4-octylbenzoyl chloride,CCCCCCCCc1ccc(cc1)C(=O)Cl,CCCCCCCCc1ccc(cc1)C(=O)Cl,"InChI=1/C15H21ClO/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3",C15H21ClO,,,,,,NEKGDYGTJYCIRI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.483,256-650-2,50607-64-2,Methyl 2-[(2-methylpentylidene)amino]benzoate,methyl 2-[(2-methylpentylidene)amino]benzoate,COC(=O)c1ccccc1N=CC(C)CCC,COC(=O)c1ccccc1N=CC(C)CCC,"InChI=1/C14H19NO2/c1-4-7-11(2)10-15-13-9-6-5-8-12(13)14(16)17-3/h5-6,8-11H,4,7H2,1-3H3",C14H19NO2,,,,,,DLMYZQZLWRLQNN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.489,256-657-0,50619-00-6,5-amino-o-xylene-3-sulphonic acid,"5-amino-2,3-dimethylbenzenesulfonic acid",Cc1cc(N)cc(c1C)S(=O)(=O)O,Cc1cc(N)cc(c1C)S(=O)(=O)O,"InChI=1/C8H11NO3S/c1-5-3-7(9)4-8(6(5)2)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)",C8H11NO3S,,,,,,QIVCVJYFQJQEBP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.493,256-661-2,50623-57-9,Butyl nonan-1-oate,butyl nonanoate,CCCCCCCCC(=O)OCCCC,CCCCCCCCC(=O)OCCCC,"InChI=1/C13H26O2/c1-3-5-7-8-9-10-11-13(14)15-12-6-4-2/h3-12H2,1-2H3",C13H26O2,,,,,,DOLFPCDDMUMIMR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.496,256-664-9,50629-82-8,Halometasone,"2-chloro-6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)Cl,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)Cl,"InChI=1/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3",C22H27ClF2O5,,,,,,GGXMRPUKBWXVHE-MIHLVHIWSA-N,,,,,,,,,,,
100.052.762,258-057-4,52632-26-5,Ethyl 2-cyano-3-hydrazinoacrylate,ethyl 2-cyano-3-hydrazinoacrylate,CCOC(=O)\\C(=C/NN)\\C#N,CCOC(=O)\C(=C/NN)\C#N,"InChI=1/C6H9N3O2/c1-2-11-6(10)5(3-7)4-9-8/h4,9H,2,8H2,1H3",C6H9N3O2,,,,,,LRXLKHUITSXGHG-PLNGDYQASA-N,,,,,,,,,,,
100.052.763,258-059-5,52636-59-6,"10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione","10-bromonaphtho[2,3-c]acridine-5,8,14(13H)-trione",Brc1ccc2Nc3c(ccc4C(=O)c5ccccc5C(=O)c34)C(=O)c2c1,Brc1ccc2Nc3c(ccc4C(=O)c5ccccc5C(=O)c34)C(=O)c2c1,"InChI=1/C21H10BrNO3/c22-10-5-8-16-15(9-10)20(25)14-7-6-13-17(18(14)23-16)21(26)12-4-2-1-3-11(12)19(13)24/h1-9H,(H,23,25)",C21H10BrNO3,,,,,,PSDLWHWJRYDFNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.764,258-060-0,52636-61-0,4-[4-[[2-methyl-4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo]anilino]-3-nitrobenzenesulphonic acid,4-({4-[(2-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]phenyl}amino)-3-nitrobenzenesulfonic acid,O=S(=O)(Oc1cc(C)c(cc1)N=Nc3ccc(Nc2ccc(cc2[N+]([O-])=O)S(O)(=O)=O)cc3)c4ccc(C)cc4,O=S(=O)(Oc1cc(C)c(cc1)N=Nc3ccc(Nc2ccc(cc2[N+]([O-])=O)S(O)(=O)=O)cc3)c4ccc(C)cc4,"InChI=1/C26H22N4O8S2/c1-17-3-10-22(11-4-17)40(36,37)38-21-9-13-24(18(2)15-21)29-28-20-7-5-19(6-8-20)27-25-14-12-23(39(33,34)35)16-26(25)30(31)32/h3-16,27H,1-2H3,(H,33,34,35)",C26H22N4O8S2,,,,,,KGSAVDJVMKFBJP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.767,258-063-7,52637-67-9,Dipotassium hexabromoruthenate,dipotassium hexabromoruthenate(2-),[K+].[K+].Br[Ru-2](Br)(Br)(Br)(Br)Br,[K+].[K+].Br[Ru-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.2K.Ru/h6*1H;;;/q;;;;;;2*+1;+6/p-6/rBr6Ru.2K/c1-7(2,3,4,5)6;;/q;2*+1",Br6Ru.2K,,,,,,AAJKMHNFXOSYGQ-UHFFFAOYSA-H,,,,,,,,,,,
100.052.772,258-068-4,52648-45-0,2-pyridyl isothiocyanate,2-isothiocyanatopyridine,S=C=Nc1ccccn1,S=C=Nc1ccccn1,InChI=1/C6H4N2S/c9-5-8-6-3-1-2-4-7-6/h1-4H,C6H4N2S,,,,,,WFJPRCMYUOOTNS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.672,257-959-5,52490-15-0,(2-butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone,(2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone,CCCCc1oc2ccccc2c1C(=O)c3ccc(O)cc3,CCCCc1oc2ccccc2c1C(=O)c3ccc(O)cc3,"InChI=1/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3",C19H18O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17241,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.672,ZHGKQUXXASLVQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.674,257-961-6,52493-36-4,2-cyano-N-(1-methylpropyl)acetamide,N-sec-butyl-2-cyanoacetamide,CCC(C)NC(=O)CC#N,CCC(C)NC(=O)CC#N,"InChI=1/C7H12N2O/c1-3-6(2)9-7(10)4-5-8/h6H,3-4H2,1-2H3,(H,9,10)",C7H12N2O,,,,,,RUUYCRFHVMJFJC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.676,257-963-7,52496-91-0,Nickel(2+) methacrylate,nickel(2+) bis(2-methylacrylate),[Ni+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Ni+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Ni/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Ni,,,,,,PVODOPAHTWFPQE-UHFFFAOYSA-L,,,,,,,,,,,
100.052.685,257-973-1,52503-41-0,"Phosphoric acid, hexadecyl (Z)-9-octadecenyl ester",hexadecyl octadec-9-en-1-yl hydrogen phosphate,CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C34H69O4P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38-39(35,36)37-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-34H2,1-2H3,(H,35,36)",-,,,,,,FNOGGVGDWPDBIN-ZPHPHTNESA-N,,,,,,,,,,,
100.052.686,257-974-7,52503-64-7,"Acetic acid, copper(2+) salt, basic",copper(2+) diacetate,[Cu+2].[O-]C(C)=O.[O-]C(C)=O,[Cu+2].[O-]C(C)=O.[O-]C(C)=O,"InChI=1/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",-,,,,,,OPQARKPSCNTWTJ-UHFFFAOYSA-L,,,,,,,,,,,
100.052.690,257-978-9,52509-81-6,Potassium p-anisate,potassium 4-methoxybenzoate,[K+].COc1ccc(cc1)C(=O)[O-],[K+].COc1ccc(cc1)C(=O)[O-],"InChI=1/C8H8O3.K/c1-11-7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H,9,10);/q;+1/p-1",C8H8O3.K,,,,,,ZLASJWLZBYSLDG-UHFFFAOYSA-M,,,,,,,,,,,
100.052.693,257-982-0,52513-03-8,2-methylbutyl benzoate,2-methylbutyl benzoate,CCC(C)COC(=O)c1ccccc1,CCC(C)COC(=O)c1ccccc1,"InChI=1/C12H16O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3",C12H16O2,,,,,,PYZHESNNAPENLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.699,257-988-3,52516-30-0,m-(trifluoromethyl)phenethylamine,2-[3-(trifluoromethyl)phenyl]ethanamine,NCCc1cccc(c1)C(F)(F)F,NCCc1cccc(c1)C(F)(F)F,"InChI=1/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2",C9H10F3N,,,,,,BPVYCXMGJPKOTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.701,257-990-4,52519-51-4,"3,3,4,4,4-pentafluorobutyl methacrylate","3,3,4,4,4-pentafluorobutyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)F,"InChI=1/C8H9F5O2/c1-5(2)6(14)15-4-3-7(9,10)8(11,12)13/h1,3-4H2,2H3",C8H9F5O2,,,,,,DJMQEXDGIXFVSC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.707,257-997-2,52547-00-9,3-methylisothiazol-5-ylamine hydrochloride,3-methylisothiazol-5-amine hydrochloride,Cl.Cc1cc(N)sn1,Cl.Cc1cc(N)sn1,"InChI=1/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H",C4H6N2S.ClH,,,,,,ZRTGHKVPFXNDHE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.355,253-208-0,36781-77-8,(Z)-12-hydroxyoctadec-9-enyl [R-(Z)]-docos-13-enoate,12-hydroxyoctadec-9-en-1-yl docos-13-enoate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCC=CCC(O)CCCCCC,CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCC=CCC(O)CCCCCC,"InChI=1/C40H76O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-33-37-40(42)43-38-34-30-27-24-21-22-25-28-32-36-39(41)35-31-8-6-4-2/h13-14,28,32,39,41H,3-12,15-27,29-31,33-38H2,1-2H3",C40H76O3,,,,,,XDWMAYJDCHDUGV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.358,253-211-7,36788-39-3,"7-[2-(2-hydroxymethylethoxy)methylethoxy]tetramethyl-3,6,8,11-tetraoxa-7-phosphatridecane-1,13-diol","2-(2-hydroxyethoxy)ethyl 3-(3-hydroxypropoxy)propyl 2-(2-hydroxy-1,1,2-trimethylpropoxy)ethyl phosphite",CC(C)(O)C(C)(C)OCCOP(OCCCOCCCO)OCCOCCO,CC(C)(O)C(C)(C)OCCOP(OCCCOCCCO)OCCOCCO,"InChI=1/C18H39O9P/c1-17(2,21)18(3,4)24-14-16-27-28(26-15-13-23-12-8-20)25-11-6-10-22-9-5-7-19/h19-21H,5-16H2,1-4H3",C18H39O9P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5793,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.358,LOBJIZCSAOEONV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.359,253-212-2,36789-59-0,"(S)-2,2,3-trimethylcyclopent-3-ene-1-ethyl acetate","2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl acetate",CC(=O)OCCC1CC=C(C)C1(C)C,CC(=O)OCCC1CC=C(C)C1(C)C,"InChI=1/C12H20O2/c1-9-5-6-11(12(9,3)4)7-8-14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,,,,,,HBRWKAJTMKFEQR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.365,253-219-0,36798-16-0,1-deoxy-1-(methylamino)-D-glucitol 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate,[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1),CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,"InChI=1/C19H16ClNO4.C7H17NO5/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-9H,10H2,1-2H3,(H,22,23);4-13H,2-3H2,1H3",C19H16ClNO4.C7H17NO5,,,,,,SJJDQBHMURCZDA-WZTVWXICSA-N,,,,,,,,,,,
100.049.877,254-883-4,40348-72-9,Methyl 2-hydroxy-4-methylvalerate,methyl 2-hydroxy-4-methylpentanoate,COC(=O)C(O)CC(C)C,COC(=O)C(O)CC(C)C,"InChI=1/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3",C7H14O3,,,,,,JOSNYUDSMPILKL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.421,256-581-8,50408-20-3,"Uridine 2',3'-dibenzoate","2',3'-di-O-benzoyluridine",OC[C@H]1O[C@H]([C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c3ccccc3)N4C=CC(=O)NC4=O,OC[C@H]1O[C@H]([C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c3ccccc3)N4C=CC(=O)NC4=O,"InChI=1/C23H20N2O8/c26-13-16-18(32-21(28)14-7-3-1-4-8-14)19(33-22(29)15-9-5-2-6-10-15)20(31-16)25-12-11-17(27)24-23(25)30/h1-12,16,18-20,26H,13H2,(H,24,27,30)",C23H20N2O8,,,,,,FZFFWKZFQMIXKC-VBSBHUPXSA-N,,,,,,,,,,,
100.051.427,256-588-6,50433-66-4,"4,8,8-trimethylnonane-4-thiol","4,8,8-trimethylnonane-4-thiol",CCCC(C)(S)CCCC(C)(C)C,CCCC(C)(S)CCCC(C)(C)C,"InChI=1/C12H26S/c1-6-8-12(5,13)10-7-9-11(2,3)4/h13H,6-10H2,1-5H3",C12H26S,,,,,,IXJVTPOKVBQHRE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.431,256-592-8,50461-27-3,3-chloro-1-ethylpiperidinium chloride,3-chloro-1-ethylpiperidinium chloride,[Cl-].CC[NH+]1CCCC(Cl)C1,[Cl-].CC[NH+]1CCCC(Cl)C1,"InChI=1/C7H14ClN.ClH/c1-2-9-5-3-4-7(8)6-9;/h7H,2-6H2,1H3;1H",C7H14ClN.ClH,,,,,,GCYLZFFNTNESAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.433,256-594-9,50465-02-6,"[3S-(3a,3aa,5aß,8E,9bß)]-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione 8-oxime","3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione 8-oxime",CC1C2CCC3(C)C=CC(=NO)C(=C3C2OC1=O)C,CC1C2CCC3(C)C=CC(=NO)C(=C3C2OC1=O)C,"InChI=1/C15H19NO3/c1-8-10-4-6-15(3)7-5-11(16-18)9(2)12(15)13(10)19-14(8)17/h5,7-8,10,13,18H,4,6H2,1-3H3",C15H19NO3,,,,,,DZFUMKYXWIWTMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.436,256-598-0,50469-23-3,Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate,diethyl acetamido{[5-(benzyloxy)-1H-indol-3-yl]methyl}malonate,CCOC(=O)C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)(NC(=O)C)C(=O)OCC,CCOC(=O)C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)(NC(=O)C)C(=O)OCC,"InChI=1/C25H28N2O6/c1-4-31-23(29)25(27-17(3)28,24(30)32-5-2)14-19-15-26-22-12-11-20(13-21(19)22)33-16-18-9-7-6-8-10-18/h6-13,15,26H,4-5,14,16H2,1-3H3,(H,27,28)",C25H28N2O6,,,,,,AIHVUEYJDRTUHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.447,256-610-4,50516-43-3,Nofecainide,3-[2-hydroxy-3-(isopropylamino)propoxy]-2-phenylisoindolin-1-one,CC(C)NCC(O)COC1N(C(=O)c2ccccc12)c3ccccc3,CC(C)NCC(O)COC1N(C(=O)c2ccccc12)c3ccccc3,"InChI=1/C20H24N2O3/c1-14(2)21-12-16(23)13-25-20-18-11-7-6-10-17(18)19(24)22(20)15-8-4-3-5-9-15/h3-11,14,16,20-21,23H,12-13H2,1-2H3",C20H24N2O3,,,,,,KUHVZVZAYMLXGA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.083,256-209-4,45234-42-2,"1,1,3,3-tetrabutyldistannoxane","1,1,3,3-tetrabutyldistannoxane",CCCC[Sn](CCCC)O[Sn](CCCC)CCCC,CCCC[Sn](CCCC)O[Sn](CCCC)CCCC,"InChI=1/4C4H9.O.2Sn/c4*1-3-4-2;;;/h4*1,3-4H2,2H3;;;/q;;;;;2*+1/rC16H36OSn2/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+2",C16H38OSn2,,,,,,ZLXMDTDPTCRLKU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.087,256-214-1,45267-19-4,N-[3-(dimethylamino)propyl]myristamide,N-[3-(dimethylamino)propyl]tetradecanamide,CCCCCCCCCCCCCC(=O)NCCCN(C)C,CCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3/h4-18H2,1-3H3,(H,20,22)",C19H40N2O,,,,,,IFYDWYVPVAMGRO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.091,256-218-3,45280-69-1,"9,12-octadecadienyl methacrylate","octadeca-9,12-dien-1-yl methacrylate",CC(=C)C(=O)OCCCCCCCCC=CCC=CCCCCC,CC(=C)C(=O)OCCCCCCCCC=CCC=CCCCCC,"InChI=1/C22H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h8-9,11-12H,2,4-7,10,13-20H2,1,3H3",C22H38O2,,,,,,YFEDUIROCRGMGU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.097,256-225-1,45298-00-8,"2-ethylhexyl (9Z,12Z)-octadeca-9,12-dienoate","2-ethylhexyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(CC)CCCC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C26H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h11-12,14-15,25H,4-10,13,16-24H2,1-3H3",C26H48O2,,,,,,PSAAPHZQPIWZFX-HDXUUTQWSA-N,,,,,,,,,,,
100.051.100,256-228-8,45302-46-3,Docosyl hydrogen fumarate,4-(docosyloxy)-4-oxobut-2-enoic acid,CCCCCCCCCCCCCCCCCCCCCCOC(=O)\\C=C\\C(=O)O,CCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C(=O)O,"InChI=1/C26H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-30-26(29)23-22-25(27)28/h22-23H,2-21,24H2,1H3,(H,27,28)",C26H48O4,,,,,,RMLKCUDDJZHVOL-GHVJWSGMSA-N,,,,,,,,,,,
100.051.101,256-229-3,45302-49-6,Tetracosyl methacrylate,tetracosyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-28(29)27(2)3/h2,4-26H2,1,3H3",C28H54O2,,,,,,XGCXMZWJYZLXQE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.115,256-245-0,45791-36-4,(R)-4-bromo-a-methylbenzylamine,1-(4-bromophenyl)ethanamine,C[C@@H](N)c1ccc(Br)cc1,C[C@@H](N)c1ccc(Br)cc1,"InChI=1/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3",C8H10BrN,,,,,,SOZMSEPDYJGBEK-ZCFIWIBFSA-N,,,,,,,,,,,
100.052.752,258-046-4,52612-52-9,"(1S-cis)-1-(2,2,6-trimethylcyclohexyl)ethanone","1-(2,2,6-trimethylcyclohexyl)ethanone",CC1CCCC(C)(C)C1C(=O)C,CC1CCCC(C)(C)C1C(=O)C,"InChI=1/C11H20O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h8,10H,5-7H2,1-4H3",C11H20O,,,,,,LGEFCQRTSXYJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.874,259-282-0,54661-53-9,"6,6'-methylenebis[1,1,3,3-tetramethylindan-5-ol]","6,6'-methylenebis(1,1,3,3-tetramethylindan-5-ol)",CC1(C)CC(C)(C)c2cc(Cc3cc4c(cc3O)C(C)(C)CC4(C)C)c(O)cc12,CC1(C)CC(C)(C)c2cc(Cc3cc4c(cc3O)C(C)(C)CC4(C)C)c(O)cc12,"InChI=1/C27H36O2/c1-24(2)14-26(5,6)20-12-22(28)16(10-18(20)24)9-17-11-19-21(13-23(17)29)27(7,8)15-25(19,3)4/h10-13,28-29H,9,14-15H2,1-8H3",C27H36O2,,,,,,COLYSLCNGKYMCR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.751,253-645-7,37734-46-6,"Potassium 9,10-dihydroxystearate","potassium 9,10-dihydroxyoctadecanoate",[K+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],[K+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],"InChI=1/C18H36O4.K/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h16-17,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1",C18H36O4.K,,,,,,XHOZQCYYJHFVMH-UHFFFAOYSA-M,,,,,,,,,,,
100.048.753,253-647-8,37736-58-6,Potassium bis(5-oxo-L-prolinate),potassium bis(5-oxo-L-prolinate),[K+].[K+].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[K+].[K+].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.2K/c2*7-4-2-1-3(6-4)5(8)9;;/h2*3H,1-2H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2",C5H7NO3.1/2K,,,,,,IKYMUGFSWYMGJW-OYIAIMIOSA-L,,,,,,,,,,,
100.048.768,253-664-0,37782-46-0,1-ethylpiperidine-2-methylamine,1-(1-ethylpiperidin-2-yl)methanamine,CCN1CCCCC1CN,CCN1CCCCC1CN,"InChI=1/C8H18N2/c1-2-10-6-4-3-5-8(10)7-9/h8H,2-7,9H2,1H3",C8H18N2,,,,,,LEKNBLYGRWKNSE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.773,253-669-8,37794-15-3,p-(methylsulphinyl)benzaldehyde,4-(methylsulfinyl)benzaldehyde,CS(=O)c1ccc(C=O)cc1,CS(=O)c1ccc(C=O)cc1,"InChI=1/C8H8O2S/c1-11(10)8-4-2-7(6-9)3-5-8/h2-6H,1H3",C8H8O2S,,,,,,NZJSGBXNOJOCJI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.580,255-657-8,42097-42-7,3-hydroxy-2-hydroxymethyl-6-methylpyridine,2-(hydroxymethyl)-6-methylpyridin-3-ol,Cc1ccc(O)c(CO)n1,Cc1ccc(O)c(CO)n1,"InChI=1/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3",C7H9NO2,,,,,,PAGTXDLKXRBHFL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.583,255-660-4,42115-48-0,Butyl 2-bromobutyrate,butyl 2-bromobutanoate,CCCCOC(=O)C(Br)CC,CCCCOC(=O)C(Br)CC,"InChI=1/C8H15BrO2/c1-3-5-6-11-8(10)7(9)4-2/h7H,3-6H2,1-2H3",C8H15BrO2,,,,,,DKZLMRKANVHJGG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.584,255-662-5,42116-21-2,"Benzyl S-4,6-dimethylpyrimidin-2-yl thiocarbonate","O-benzyl S-(4,6-dimethylpyrimidin-2-yl) thiocarbonate",Cc1cc(C)nc(SC(=O)OCc2ccccc2)n1,Cc1cc(C)nc(SC(=O)OCc2ccccc2)n1,"InChI=1/C14H14N2O2S/c1-10-8-11(2)16-13(15-10)19-14(17)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3",C14H14N2O2S,,,,,,DGAUFTRWMCEXLW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.585,255-663-0,42116-76-7,Carnidazole,O-methyl [2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]thiocarbamate,COC(=S)NCCn1c(C)ncc1[N+](=O)[O-],COC(=S)NCCn1c(C)ncc1[N+](=O)[O-],"InChI=1/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)4-3-9-8(16)15-2/h5H,3-4H2,1-2H3,(H,9,16)",C8H12N4O3S,,,,,,OVEVHVURWWTPFC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.590,255-668-8,42125-28-0,(E)-pent-2-en-1-yl acetate,pent-2-en-1-yl acetate,CC\\C=C\\COC(=O)C,CC\C=C\COC(=O)C,"InChI=1/C7H12O2/c1-3-4-5-6-9-7(2)8/h4-5H,3,6H2,1-2H3",C7H12O2,,,,,,WGGJTPQHVFOGPN-SNAWJCMRSA-N,,,,,,,,,,,
100.050.605,255-685-0,42149-74-6,1-(2-chloroethoxy)propane,1-(2-chloroethoxy)propane,CCCOCCCl,CCCOCCCl,"InChI=1/C5H11ClO/c1-2-4-7-5-3-6/h2-5H2,1H3",C5H11ClO,,,,,,BHDSGQOSIWVMJW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.611,255-691-3,42168-36-5,1-allyl-3-[3-(triethoxysilyl)propyl]thiourea,1-allyl-3-[3-(triethoxysilyl)propyl]thiourea,CCO[Si](CCCNC(=S)NCC=C)(OCC)OCC,CCO[Si](CCCNC(=S)NCC=C)(OCC)OCC,"InChI=1/C13H28N2O3SSi/c1-5-10-14-13(19)15-11-9-12-20(16-6-2,17-7-3)18-8-4/h5H,1,6-12H2,2-4H3,(H2,14,15,19)",C13H28N2O3SSi,,,,,,PSFQGWZJTWOKRW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.618,255-699-7,42185-03-5,2-propoxyethylamine,2-propoxyethanamine,CCCOCCN,CCCOCCN,"InChI=1/C5H13NO/c1-2-4-7-5-3-6/h2-6H2,1H3",C5H13NO,,,,,,HMWXCSCBUXKXSA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.619,255-700-0,42186-33-4,Methyl 3-oxo-2-propylcyclopentaneacetate,methyl (3-oxo-2-propylcyclopentyl)acetate,CCCC1C(CC(=O)OC)CCC1=O,CCCC1C(CC(=O)OC)CCC1=O,"InChI=1/C11H18O3/c1-3-4-9-8(5-6-10(9)12)7-11(13)14-2/h8-9H,3-7H2,1-2H3",C11H18O3,,,,,,XIWMHTMGRGPLQO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.620,255-701-6,42187-33-7,"3,4-dimethyl-3'-nitrobenzophenone","(3,4-dimethylphenyl)(3-nitrophenyl)methanone",Cc1ccc(cc1C)C(=O)c2cccc(c2)[N+](=O)[O-],Cc1ccc(cc1C)C(=O)c2cccc(c2)[N+](=O)[O-],"InChI=1/C15H13NO3/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(9-12)16(18)19/h3-9H,1-2H3",C15H13NO3,,,,,,NBDNYHATMBDUEB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.125,257-356-7,51707-55-2,"1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea","1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea",O=C(Nc1ccccc1)Nc2cnns2,O=C(Nc1ccccc1)Nc2cnns2,"InChI=1/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)",C9H8N4OS,,,,,,HFCYZXMHUIHAQI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.486,253-351-9,37107-50-9,Cyanocyclohexylideneacetic acid,cyano(cyclohexylidene)acetic acid,OC(=O)C(=C1CCCCC1)C#N,OC(=O)C(=C1CCCCC1)C#N,"InChI=1/C9H11NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5H2,(H,11,12)",C9H11NO2,,,,,,KMAMEGWTNNOKOE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.773,258-070-5,52655-08-0,Isooctyl gallate,"6-methylheptyl 3,4,5-trihydroxybenzoate",CC(C)CCCCCOC(=O)c1cc(O)c(O)c(O)c1,CC(C)CCCCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C15H22O5/c1-10(2)6-4-3-5-7-20-15(19)11-8-12(16)14(18)13(17)9-11/h8-10,16-18H,3-7H2,1-2H3",C15H22O5,,,,,,GJCYPSBOSGWHEO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.775,258-072-6,52655-31-9,Henicosapentaene,"henicosa-1,3,5,7,9-pentaene",CCCCCCCCCCCC=CC=CC=CC=CC=C,CCCCCCCCCCCC=CC=CC=CC=CC=C,"InChI=1/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11,13,15,17,19H,1,4,6,8,10,12,14,16,18,20-21H2,2H3",C21H34,,,,,,FPXCJLDGCPZYBW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.778,258-075-2,52657-34-8,Ethylenediammonium hydrogen phosphate,"ethane-1,2-diaminium hydrogen phosphate",[NH3+]CC[NH3+].[O-]P(=O)([O-])[O-],[NH3+]CC[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/C2H8N2.H3O4P/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)/p-1",C2H8N2.H3O4P,,,,,,ZSFDBVJMDCMTBM-UHFFFAOYSA-M,,,,,,,,,,,
100.052.779,258-076-8,52657-56-4,"N-(tert-butoxycarbonyl)-L-leucine, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-L-leucine - N-cyclohexylcyclohexanamine (1:1),CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C11H21NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h11-13H,1-10H2;7-8H,6H2,1-5H3,(H,12,15)(H,13,14)",C12H23N.C11H21NO4,,,,,,QDLJEGLFKNMTLN-WDBKTSHHSA-N,,,,,,,,,,,
100.052.784,258-082-0,52664-24-1,"3,9-bis(p-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane","3,9-bis(4-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CCCCCCCCCc1ccc(OP2OCC3(COP(Oc4ccc(CCCCCCCCC)cc4)OC3)CO2)cc1,CCCCCCCCCc1ccc(OP2OCC3(COP(Oc4ccc(CCCCCCCCC)cc4)OC3)CO2)cc1,"InChI=1/C35H54O6P2/c1-3-5-7-9-11-13-15-17-31-19-23-33(24-20-31)40-42-36-27-35(28-37-42)29-38-43(39-30-35)41-34-25-21-32(22-26-34)18-16-14-12-10-8-6-4-2/h19-26H,3-18,27-30H2,1-2H3",C35H54O6P2,,,,,,DTTQEPMYWLJIKN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.787,258-085-7,52667-15-9,Tris[µ-[methanedisulphonato(2-)]]dialuminium,tris[mu-methanedisulfonato(2-)-kappaO~1~:kappaO~1~]dialuminum,O=S1(=O)CS(=O)(=O)O[Al]2OS(=O)(=O)CS(=O)(=O)O[Al](OS(=O)(=O)CS(=O)(=O)O2)O1,O=S1(=O)CS(=O)(=O)O[Al]2OS(=O)(=O)CS(=O)(=O)O[Al](OS(=O)(=O)CS(=O)(=O)O2)O1,"InChI=1/3CH4O6S2.2Al/c3*2-8(3,4)1-9(5,6)7;;/h3*1H2,(H,2,3,4)(H,5,6,7);;/q;;;2*+3/p-6/rC3H6Al2O18S6/c6-24(7)1-25(8,9)19-5-21-27(12,13)2-26(10,11)20-4(18-24)22-28(14,15)3-29(16,17)23-5/h1-3H2",C3H6Al2O18S6,,,,,,NMTQHSJCFMAVNA-UHFFFAOYSA-H,,,,,,,,,,,
100.052.792,258-090-4,52671-38-2,"2,2'-[1,4-phenylenebis(1,3,4-oxadiazole-5,2-diyl)]bis[1-aminoanthraquinone]","2,2'-(1,4-phenylenedi-1,3,4-oxadiazole-5,2-diyl)bis(1-amino-9,10-anthraquinone)",Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)c4oc(nn4)c5ccc(cc5)c6oc(nn6)c7ccc8C(=O)c9ccccc9C(=O)c8c7N,Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)c4oc(nn4)c5ccc(cc5)c6oc(nn6)c7ccc8C(=O)c9ccccc9C(=O)c8c7N,"InChI=1/C38H20N6O6/c39-29-25(15-13-23-27(29)33(47)21-7-3-1-5-19(21)31(23)45)37-43-41-35(49-37)17-9-11-18(12-10-17)36-42-44-38(50-36)26-16-14-24-28(30(26)40)34(48)22-8-4-2-6-20(22)32(24)46/h1-16H,39-40H2",C38H20N6O6,,,,,,KURKYSBFMTWTAP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.793,258-092-5,52672-74-9,"Dihydrogen hexachloroplatinate, compound with 1,1,3,3-tetramethyl-1,3-divinyldisiloxane","dihydrogen hexachloroplatinate(2-) - 1,1,3,3-tetramethyl-1,3-divinyldisiloxane (1:1)",C[Si](C)(O[Si](C)(C)C=C)C=C.Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,C[Si](C)(O[Si](C)(C)C=C)C=C.Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/C8H18OSi2.6ClH.Pt/c1-7-10(3,4)9-11(5,6)8-2;;;;;;;/h7-8H,1-2H2,3-6H3;6*1H;/q;;;;;;;+4/p-6/rC8H18OSi2.Cl6Pt/c1-7-10(3,4)9-11(5,6)8-2;1-7(2,3,4,5)6/h7-8H,1-2H2,3-6H3;/q;-2",C8H18OSi2.xCl6Pt.xH,,,,,,INSXLHQKELOYQM-UHFFFAOYSA-H,,,,,,,,,,,
100.048.101,252-927-7,36221-96-2,Potassium sodium D-glucarate,"potassium sodium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Na+].[K+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[Na+].[K+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/C6H10O8.K.Na/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2",C6H10O8.K.Na,,,,,,PZMMRBUBRPNFIL-SDFKWCIISA-L,,,,,,,,,,,
100.048.102,252-928-2,36226-32-1,(3-pyridylmethyl)urea,1-(pyridin-3-ylmethyl)urea,NC(=O)NCc1cccnc1,NC(=O)NCc1cccnc1,"InChI=1/C7H9N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h1-4H,5H2,(H3,8,10,11)",C7H9N3O,,,,,,PWHUPFOHNXWYSH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.106,252-932-4,36236-67-6,1-[(4-chlorophenyl)benzyl]-4-[(m-tolyl)methyl]piperazine hydrochloride,1-[(4'-chlorobiphenyl-2-yl)methyl]-4-(3-methylbenzyl)piperazine hydrochloride,Cl.Cc1cccc(CN2CCN(Cc3ccccc3c4ccc(Cl)cc4)CC2)c1,Cl.Cc1cccc(CN2CCN(Cc3ccccc3c4ccc(Cl)cc4)CC2)c1,"InChI=1/C25H27ClN2.ClH/c1-20-5-4-6-21(17-20)18-27-13-15-28(16-14-27)19-23-7-2-3-8-25(23)22-9-11-24(26)12-10-22;/h2-12,17H,13-16,18-19H2,1H3;1H",C25H27ClN2.xClH,,,,,,QRKSYQCDLUOQAN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.119,252-947-6,36275-66-8,"2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone, disodium salt","disodium 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate",[Na]OC1=C(Cl)C(=O)C(=C(Cl)C1=O)O[Na],[Na]OC1=C(Cl)C(=O)C(=C(Cl)C1=O)O[Na],"InChI=1/C6H2Cl2O4.2Na/c7-1-3(9)5(11)2(8)6(12)4(1)10;;/h9,12H;;/q;2*+1/p-2",C6H2Cl2O4.2Na,,,,,,FITANBHHCLWRKG-UHFFFAOYSA-L,,,,,,,,,,,
100.049.878,254-885-5,40349-83-5,"Disodium 2,2'-[ethylenebis(oxy)]diacetate","disodium 2,2'-[ethane-1,2-diylbis(oxy)]diacetate",[Na+].[Na+].[O-]C(=O)COCCOCC(=O)[O-],[Na+].[Na+].[O-]C(=O)COCCOCC(=O)[O-],"InChI=1/C6H10O6.2Na/c7-5(8)3-11-1-2-12-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C6H10O6.2Na,,,,,,ALXDYZRQIPNIIP-UHFFFAOYSA-L,,,,,,,,,,,
100.049.879,254-886-0,40349-99-3,"Anthra[1,9-ab]naphtho[2,3-i]carbazole-5,13,18(17H)-trione","anthra[1,9-ab]naphtho[2,3-i]carbazole-5,13,18(17H)-trione",O=C1c2ccccc2C(=O)c3c1ccc4c5cc6c7ccccc7C(=O)c8cccc(c5[nH]c34)c68,O=C1c2ccccc2C(=O)c3c1ccc4c5cc6c7ccccc7C(=O)c8cccc(c5[nH]c34)c68,"InChI=1/C31H15NO3/c33-29-17-7-2-1-6-15(17)23-14-24-16-12-13-22-26(31(35)19-9-4-3-8-18(19)30(22)34)28(16)32-27(24)20-10-5-11-21(29)25(20)23/h1-14,32H",C31H15NO3,,,,,,VINRDZQKYNEMSR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.883,254-890-2,40366-31-2,"N,N'-1,4-phenylenebis[[2-(4-chloro-o-tolyl)azo]-3-oxobutyramide]","N,N'-1,4-phenylenebis{2-[(4-chloro-2-methylphenyl)diazenyl]-3-oxobutanamide}",CC(=O)C(N=Nc1ccc(Cl)cc1C)C(=O)Nc2ccc(NC(=O)C(N=Nc3ccc(Cl)cc3C)C(=O)C)cc2,CC(=O)C(N=Nc1ccc(Cl)cc1C)C(=O)Nc2ccc(NC(=O)C(N=Nc3ccc(Cl)cc3C)C(=O)C)cc2,"InChI=1/C28H26Cl2N6O4/c1-15-13-19(29)5-11-23(15)33-35-25(17(3)37)27(39)31-21-7-9-22(10-8-21)32-28(40)26(18(4)38)36-34-24-12-6-20(30)14-16(24)2/h5-14,25-26H,1-4H3,(H,31,39)(H,32,40)",C28H26Cl2N6O4,,,,,,PWDKCWAYHGWCOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.886,254-893-9,40371-64-0,2-bromo-4-chloro-5-nitrotoluene,1-bromo-5-chloro-2-methyl-4-nitrobenzene,Cc1cc(c(Cl)cc1Br)[N+](=O)[O-],Cc1cc(c(Cl)cc1Br)[N+](=O)[O-],"InChI=1/C7H5BrClNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3",C7H5BrClNO2,,,,,,RTIUAGUGNIQCLV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.525,254-497-6,39536-61-3,N-butylpentylamine,N-butylpentan-1-amine,CCCCCNCCCC,CCCCCNCCCC,"InChI=1/C9H21N/c1-3-5-7-9-10-8-6-4-2/h10H,3-9H2,1-2H3",C9H21N,,,,,,AMJIVVJFADZSNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.526,254-498-1,39538-68-6,2-methoxy-p-toluidine,2-methoxy-4-methylaniline,COc1cc(C)ccc1N,COc1cc(C)ccc1N,"InChI=1/C8H11NO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,9H2,1-2H3",C8H11NO,,,,,,CJJLEUQMMMLOFI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.527,254-499-7,39542-83-1,5-(anilinomethylene)-3-ethylrhodanine,"5-(anilinomethylene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one",O=C2C(=CNc1ccccc1)SC(=S)N2CC,O=C2C(=CNc1ccccc1)SC(=S)N2CC,"InChI=1/C12H12N2OS2/c1-2-14-11(15)10(17-12(14)16)8-13-9-6-4-3-5-7-9/h3-8,13H,2H2,1H3",C12H12N2OS2,,,,,,PXBJDLPPRXOBIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.533,254-505-8,39556-37-1,2-hydroxypropyl butyrate,2-hydroxypropyl butyrate,CCCC(=O)OCC(C)O,CCCC(=O)OCC(C)O,"InChI=1/C7H14O3/c1-3-4-7(9)10-5-6(2)8/h6,8H,3-5H2,1-2H3",C7H14O3,,,,,,QXXGFEMAULVMST-UHFFFAOYSA-N,,,,,,,,,,,
100.049.541,254-514-7,39563-54-7,2-bromoundecane,2-bromoundecane,CCCCCCCCCC(C)Br,CCCCCCCCCC(C)Br,"InChI=1/C11H23Br/c1-3-4-5-6-7-8-9-10-11(2)12/h11H,3-10H2,1-2H3",C11H23Br,,,,,,HAMCEMQAQYUVRF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.543,254-516-8,39565-07-6,"5,7-dimethyl-1,8-naphthyridin-2-ylamine","5,7-dimethyl-1,8-naphthyridin-2-amine",Cc1cc(C)c2ccc(N)nc2n1,Cc1cc(C)c2ccc(N)nc2n1,"InChI=1/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13)",C10H11N3,,,,,,BOSVHBKQNJZNHK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.565,254-540-9,39614-85-2,"2-methyl-3,5-dinitrobenzoyl chloride","2-methyl-3,5-dinitrobenzoyl chloride",Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl,"InChI=1/C8H5ClN2O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3",C8H5ClN2O5,,,,,,AGYLEAJVAFGNEF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.568,254-544-0,39617-05-5,Dimethyl 4-dimethylaminophthalate,dimethyl 4-(dimethylamino)phthalate,COC(=O)c1ccc(cc1C(=O)OC)N(C)C,COC(=O)c1ccc(cc1C(=O)OC)N(C)C,"InChI=1/C12H15NO4/c1-13(2)8-5-6-9(11(14)16-3)10(7-8)12(15)17-4/h5-7H,1-4H3",C12H15NO4,,,,,,IQMSCTLQIWAFDD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.570,254-546-1,39624-66-3,"(R)-2,3,4,5-tetrahydro-7,8-dimethoxy-3-methyl-1-phenyl-1H-3-benzazepinium hydrogen maleate","7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepinium hydrogen but-2-enedioate",COc1cc2CC[NH+](C)C[C@H](c3ccccc3)c2cc1OC.[O-]C(=O)\\C=C/C(=O)[O-],COc1cc2CC[NH+](C)C[C@H](c3ccccc3)c2cc1OC.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C19H23NO2.C4H4O4/c1-20-10-9-15-11-18(21-2)19(22-3)12-16(15)17(13-20)14-7-5-4-6-8-14;5-3(6)1-2-4(7)8/h4-8,11-12,17H,9-10,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-1",C19H23NO2.C4H4O4,,,,,,TYNKKGLBKXZIHX-XLOMBBFOSA-M,,,,,,,,,,,
100.054.012,259-433-0,55012-32-3,Isopropylbenzaldehyde,2-isopropylbenzaldehyde,CC(C)c1ccccc1C=O,CC(C)c1ccccc1C=O,"InChI=1/C10H12O/c1-8(2)10-6-4-3-5-9(10)7-11/h3-8H,1-2H3",C10H12O,,,,,,DTALCVXXATYTQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.015,259-436-7,55025-80-4,2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl 4-azidobenzoate,2-(methacryloyloxy)ethyl 4-azidobenzoate,CC(=C)C(=O)OCCOC(=O)c1ccc(cc1)N=[N+]=[N-],CC(=C)C(=O)OCCOC(=O)c1ccc(cc1)N=[N+]=[N-],"InChI=1/C13H13N3O4/c1-9(2)12(17)19-7-8-20-13(18)10-3-5-11(6-4-10)15-16-14/h3-6H,1,7-8H2,2H3",C13H13N3O4,,,,,,KWNOWBYKTBWTJC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.754,258-049-0,52619-02-0,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-pivalate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H37FO6/c1-15-11-19-18-8-7-16-12-17(29)9-10-24(16,5)26(18,28)20(30)13-25(19,6)27(15,33)21(31)14-34-22(32)23(2,3)4/h9-10,12,15,18-20,30,33H,7-8,11,13-14H2,1-6H3",C27H37FO6,,,,,,XMQRFWOHEPJZPS-WDTKEXHNSA-N,,,,,,,,,,,
100.048.053,252-873-4,36116-84-4,Diisooctyl phosphonate,bis(6-methylheptyl) phosphonate,CC(C)CCCCCOP(=O)OCCCCCC(C)C,CC(C)CCCCCOP(=O)OCCCCCC(C)C,"InChI=1/C16H35O3P/c1-15(2)11-7-5-9-13-18-20(17)19-14-10-6-8-12-16(3)4/h15-16,20H,5-14H2,1-4H3",C16H35O3P,,,,,,HXYIURVJRFSMCN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.057,252-878-1,36118-45-3,Pyrazoline,"4,5-dihydro-1H-pyrazole",C1CC=NN1,C1CC=NN1,"InChI=1/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2",C3H6N2,,,,,,MCGBIXXDQFWVDW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.064,252-886-5,36141-82-9,Diamfenetide,"N,N'-[oxybis(ethane-2,1-diyloxy-4,1-phenylene)]diacetamide",CC(=O)Nc1ccc(OCCOCCOc2ccc(NC(=O)C)cc2)cc1,CC(=O)Nc1ccc(OCCOCCOc2ccc(NC(=O)C)cc2)cc1,"InChI=1/C20H24N2O5/c1-15(23)21-17-3-7-19(8-4-17)26-13-11-25-12-14-27-20-9-5-18(6-10-20)22-16(2)24/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)",C20H24N2O5,,,,,,JNEZCZPNQCQCFK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.073,252-895-4,36167-63-2,"1,3-dichloro-a-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)phenanthren-1-methanol hydrochloride","3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-1,2-dihydrophenanthren-1-yl]propan-1-ol hydrochloride",Cl.CCCCN(CCCC)CCC(O)C1(Cl)CC(=Cc2c1ccc3ccc(cc23)C(F)(F)F)Cl,Cl.CCCCN(CCCC)CCC(O)C1(Cl)CC(=Cc2c1ccc3ccc(cc23)C(F)(F)F)Cl,"InChI=1/C26H32Cl2F3NO.ClH/c1-3-5-12-32(13-6-4-2)14-11-24(33)25(28)17-20(27)16-22-21-15-19(26(29,30)31)9-7-18(21)8-10-23(22)25;/h7-10,15-16,24,33H,3-6,11-14,17H2,1-2H3;1H",C26H30Cl2F3NO.ClH,,,,,,DAQVYKLGRHQRJS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.081,252-905-7,36192-63-9,2-amino-4'-methylbenzophenone m,(2-aminophenyl)(4-methylphenyl)methanone,Cc1ccc(cc1)C(=O)c2ccccc2N,Cc1ccc(cc1)C(=O)c2ccccc2N,"InChI=1/C14H13NO/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15/h2-9H,15H2,1H3",C14H13NO,,,,,,RMMJUQSANCPTMV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.272,254-218-8,38954-40-4,2-(ethylphenylamino)ethyl acetate,2-[ethyl(phenyl)amino]ethyl acetate,CCN(CCOC(=O)C)c1ccccc1,CCN(CCOC(=O)C)c1ccccc1,"InChI=1/C12H17NO2/c1-3-13(9-10-15-11(2)14)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3",C12H17NO2,,,,,,GPCCXIVDZANEJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.276,254-223-5,38964-88-4,"2-amino-5-(5,5-diphenylhydantoin-3-yl)valeric acid","5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)norvaline",NC(CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3)C(=O)O,NC(CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3)C(=O)O,"InChI=1/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25)",C20H21N3O4,,,,,,PAJBBDCZSMDSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.277,254-224-0,38965-27-4,"17ß-hydroxyandrost-4-en-3-one 3,3-dimethylbutyrate","3-oxoandrost-4-en-17-yl 3,3-dimethylbutanoate",CC(C)(C)CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)(C)CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C25H38O3/c1-23(2,3)15-22(27)28-21-9-8-19-18-7-6-16-14-17(26)10-12-24(16,4)20(18)11-13-25(19,21)5/h14,18-21H,6-13,15H2,1-5H3",C25H38O3,,,,,,LVMDQTKLLVECJT-FYVXYBBASA-N,,,,,,,,,,,
100.049.280,254-227-7,38970-72-8,"1,1'-(1,1,3-trimethylpropane-1,3-diyl)bis(cyclohexane)","1,1'-(2-methylpentane-2,4-diyl)dicyclohexane",CC(CC(C)(C)C1CCCCC1)C2CCCCC2,CC(CC(C)(C)C1CCCCC1)C2CCCCC2,"InChI=1/C18H34/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3",C18H34,,,,,,XUVKLBIJXLIPDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.284,254-231-9,38976-17-9,"[2R-(4R*,8R*)]-(±)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl dihydrogen phosphate","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OP(=O)(O)O)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OP(=O)(O)O)c(C)c(C)c2O1,"InChI=1/C29H51O5P/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29/h20-22H,9-19H2,1-8H3,(H2,30,31,32)",C29H51O5P,,,,,,JUIUXBHZFNHITF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.291,254-239-2,38989-38-7,"2,3,10,11-tetramethoxy-8-methyldibenzo[a,g]quinolizinium chloride","2,3,10,11-tetramethoxy-8-methylisoquino[3,2-a]isoquinolinium chloride",[Cl-].COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC,[Cl-].COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC,"InChI=1/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1",C22H22NO4.Cl,,,,,,PDYBUYVOPAJLKP-UHFFFAOYSA-M,,,,,,,,,,,
100.049.293,254-241-3,38998-17-3,"2,3-dimethyl-p-anisaldehyde","4-methoxy-2,3-dimethylbenzaldehyde",COc1ccc(C=O)c(C)c1C,COc1ccc(C=O)c(C)c1C,"InChI=1/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3",C10H12O2,,,,,,MAFDJCNDRCNZFM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.307,254-257-0,39036-72-1,1-butyl-2-methylnaphthalene,1-butyl-2-methylnaphthalene,CCCCc1c(C)ccc2ccccc12,CCCCc1c(C)ccc2ccccc12,"InChI=1/C15H18/c1-3-4-8-14-12(2)10-11-13-7-5-6-9-15(13)14/h5-7,9-11H,3-4,8H2,1-2H3",C15H18,,,,,,RJFYXVFTHRILQA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.487,253-352-4,37109-78-7,6-(hexylthio)-1H-purine,6-(hexylsulfanyl)-1H-purine,CCCCCCSc1[nH]cnc2ncnc12,CCCCCCSc1[nH]cnc2ncnc12,"InChI=1/C11H16N4S/c1-2-3-4-5-6-16-11-9-10(13-7-12-9)14-8-15-11/h7-8H,2-6H2,1H3,(H,12,13,14,15)",C11H16N4S,,,,,,DPEYVWBFEYXFIT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.488,253-354-5,37111-25-4,"2,3-epoxypropyl propionate",oxiran-2-ylmethyl propionate,CCC(=O)OCC1CO1,CCC(=O)OCC1CO1,"InChI=1/C6H10O3/c1-2-6(7)9-4-5-3-8-5/h5H,2-4H2,1H3",C6H10O3,,,,,,QNAJAJLBHMMOJB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.491,253-357-1,37136-39-3,Diethyl tetrahydrofurfurylmalonate,diethyl (tetrahydrofuran-2-ylmethyl)malonate,CCOC(=O)C(CC1CCCO1)C(=O)OCC,CCOC(=O)C(CC1CCCO1)C(=O)OCC,"InChI=1/C12H20O5/c1-3-15-11(13)10(12(14)16-4-2)8-9-6-5-7-17-9/h9-10H,3-8H2,1-2H3",C12H20O5,,,,,,DNNUDKVYVAZVKN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.498,253-365-5,37141-50-7,m-methylbenzyl thiocyanate,3-methylbenzyl thiocyanate,Cc1cccc(CSC#N)c1,Cc1cccc(CSC#N)c1,"InChI=1/C9H9NS/c1-8-3-2-4-9(5-8)6-11-7-10/h2-5H,6H2,1H3",C9H9NS,,,,,,NSGWUGKMTAEVPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.499,253-366-0,37148-27-9,Clenbuterol,"1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol",CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",C12H18Cl2N2O,,,,,,STJMRWALKKWQGH-UHFFFAOYSA-N,Positive,AU109901;EQ359201|EQ359202|EQ359203|EQ359204|EQ359205|EQ359206|EQ359207|EQ359208|EQ359209,[M+H]+;[M+H]+,CID20.8-31.2;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,203.0147:205.0116:132.0684;259.0761:203.0136:277.0867|203.0135:259.0762:57.0698|203.0136:132.0681:168.0448|132.0681:168.0448:167.037|132.0681:168.0447:167.037|132.0682:168.0448:140.0261|140.0261:132.0682:104.0494|104.0494:140.0261:131.0604|104.0494:95.0491:89.0386,Athens_Univ;Eawag,,,,,
100.050.001,255-019-9,40642-40-8,(Z)-dodec-8-enol,dodec-8-en-1-ol,CCC\\C=C/CCCCCCCO,CCC\C=C/CCCCCCCO,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-5,13H,2-3,6-12H2,1H3",C12H24O,,,,,,YEQONIQGGSENJQ-PLNGDYQASA-N,,,,,,,,,,,
100.050.005,255-024-6,40657-56-5,Undec-5-en-2-one,undec-5-en-2-one,CC(=O)CCC=CCCCCC,CC(=O)CCC=CCCCCC,"InChI=1/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h7-8H,3-6,9-10H2,1-2H3",C11H20O,,,,,,GAZJVINYNDPROS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.007,255-026-7,40661-00-5,"Sodium 3,6,9,12,15,18,21,24,27-nonaoxanonatriacontyl sulphate","sodium 3,6,9,12,15,18,21,24,27-nonaoxanonatriacont-1-yl sulfate",[Na+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C30H62O13S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-34-13-14-35-15-16-36-17-18-37-19-20-38-21-22-39-23-24-40-25-26-41-27-28-42-29-30-43-44(31,32)33;/h2-30H2,1H3,(H,31,32,33);/q;+1/p-1",C30H62O13S.Na,,,,,,BDXONVZRSVMNOW-UHFFFAOYSA-M,,,,,,,,,,,
100.050.009,255-028-8,40665-92-7,Cloprostenol,"7-{2-[4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoic acid",O[C@@H]2C[C@H](O)[C@H](CC=CCCCC(O)=O)[C@H]2C=C[C@@H](O)COc1cccc(Cl)c1,O[C@@H]2C[C@H](O)[C@H](CC=CCCCC(O)=O)[C@H]2C=C[C@@H](O)COc1cccc(Cl)c1,"InChI=1/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)",C22H29ClO6,,,,,,VJGGHXVGBSZVMZ-LELZANKISA-N,,,,,,,,,,,
100.050.011,255-030-9,40674-21-3,"Ethyl 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-2-methylpropionate","ethyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]-2-methylpropanoate",CCOC(=O)C(C)(C)ON1C(=O)c2ccccc2C1=O,CCOC(=O)C(C)(C)ON1C(=O)c2ccccc2C1=O,"InChI=1/C14H15NO5/c1-4-19-13(18)14(2,3)20-15-11(16)9-7-5-6-8-10(9)12(15)17/h5-8H,4H2,1-3H3",C14H15NO5,,,,,,UNZUMKCIIIFEJI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.013,255-033-5,40677-44-9,"6-amino-2,4-dichloro-m-cresol","6-amino-2,4-dichloro-3-methylphenol",Cc1c(Cl)cc(N)c(O)c1Cl,Cc1c(Cl)cc(N)c(O)c1Cl,"InChI=1/C7H7Cl2NO/c1-3-4(8)2-5(10)7(11)6(3)9/h2,11H,10H2,1H3",C7H7Cl2NO,,,,,,QDOGSLSGLUTSQL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.018,255-038-2,40691-09-6,"Sodium 4-[3-(4-chlorophenyl)-4,5-dihydro-5-phenyl-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)c4ccc(Cl)cc4,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)c4ccc(Cl)cc4,"InChI=1/C21H17ClN2O3S.Na/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)24(23-20)18-10-12-19(13-11-18)28(25,26)27;/h1-13,21H,14H2,(H,25,26,27);/q;+1/p-1",C21H17ClN2O3S.Na,,,,,,UTJLWJQDJWWHIB-UHFFFAOYSA-M,,,,,,,,,,,
100.050.019,255-039-8,40691-66-5,ß-methyl-ß-phenylphenethylamine hydrochloride,"2,2-diphenylpropan-1-amine hydrochloride",Cl.CC(CN)(c1ccccc1)c2ccccc2,Cl.CC(CN)(c1ccccc1)c2ccccc2,"InChI=1/C15H17N.ClH/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,12,16H2,1H3;1H",C15H17N.ClH,,,,,,AASCJSPDUDWGGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.022,255-042-4,40698-67-7,"2,4-dimethyl-6-phenyl-1,3-dioxane","2,4-dimethyl-6-phenyl-1,3-dioxane",CC1CC(OC(C)O1)c2ccccc2,CC1CC(OC(C)O1)c2ccccc2,"InChI=1/C12H16O2/c1-9-8-12(14-10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3",C12H16O2,,,,,,UHICLWNLEIHLGS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.023,255-044-5,40702-13-4,2-tert-butylcyclohexyl propionate,2-tert-butylcyclohexyl propionate,CCC(=O)OC1CCCCC1C(C)(C)C,CCC(=O)OC1CCCCC1C(C)(C)C,"InChI=1/C13H24O2/c1-5-12(14)15-11-9-7-6-8-10(11)13(2,3)4/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,YDUUSEAKCIZTQF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.026,255-047-1,40703-79-5,"4,5-dibromohexahydro-N-phenyl-3,6-methanophthalimide","5,6-dibromo-2-phenylhexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione",BrC1C(Br)C2CC1C3C2C(=O)N(C3=O)c4ccccc4,BrC1C(Br)C2CC1C3C2C(=O)N(C3=O)c4ccccc4,"InChI=1/C15H13Br2NO2/c16-12-8-6-9(13(12)17)11-10(8)14(19)18(15(11)20)7-4-2-1-3-5-7/h1-5,8-13H,6H2",C15H13Br2NO2,,,,,,JNUMSHAQCAUPTM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.121,252-949-7,36282-26-5,2-bromo-4-fluorobenzonitrile,2-bromo-4-fluorobenzonitrile,Fc1ccc(C#N)c(Br)c1,Fc1ccc(C#N)c(Br)c1,InChI=1/C7H3BrFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H,C7H3BrFN,,,,,,MNNDREXLRLDWEY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.625,254-607-2,39728-80-8,4-(4-hydroxy-3-methoxyphenyl)butan-2-ol,4-(3-hydroxybutyl)-2-methoxyphenol,COc1cc(CCC(C)O)ccc1O,COc1cc(CCC(C)O)ccc1O,"InChI=1/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3",C11H16O3,,,,,,GTLGHKNKLRZSMO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.626,254-608-8,39735-13-2,Heptadecylbenzenesulphonic acid,2-heptadecylbenzenesulfonic acid,CCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)O,CCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)O,"InChI=1/C23H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-23(22)27(24,25)26/h17-18,20-21H,2-16,19H2,1H3,(H,24,25,26)",C23H40O3S,,,,,,YMDQBEDUPBAOHY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.631,254-614-0,39742-63-7,1-[2-(4-methoxyphenyl)ethyl]-4-piperidone,1-[2-(4-methoxyphenyl)ethyl]piperidin-4-one,COc1ccc(CCN2CCC(=O)CC2)cc1,COc1ccc(CCN2CCC(=O)CC2)cc1,"InChI=1/C14H19NO2/c1-17-14-4-2-12(3-5-14)6-9-15-10-7-13(16)8-11-15/h2-5H,6-11H2,1H3",C14H19NO2,,,,,,BAPDJTACENRPEN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.637,254-620-3,39754-64-8,Tifemoxone,"6-(phenoxymethyl)-1,3-oxazinane-2-thione",S=C1NCCC(COc2ccccc2)O1,S=C1NCCC(COc2ccccc2)O1,"InChI=1/C11H13NO2S/c15-11-12-7-6-10(14-11)8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,15)",C11H13NO2S,,,,,,NIPRGEWHJUTVQK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.640,254-624-5,39770-05-3,9-decenal,dec-9-enal,C=CCCCCCCCC=O,C=CCCCCCCCC=O,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h2,10H,1,3-9H2",C10H18O,,,,,,AKMSQWLDTSOVME-UHFFFAOYSA-N,,,,,,,,,,,
100.049.644,254-628-7,39776-85-7,"[1R-(1a,3ß,5a)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate","6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate",CC(=O)OC1CC2CC(C1=C)C2(C)C,CC(=O)OC1CC2CC(C1=C)C2(C)C,"InChI=1/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3",C12H18O2,,,,,,UDBAGFUFASPUFS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.313,254-263-3,39050-96-9,"[2S-[2a,5a,6ß(S*)]]-6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid mono(hydroxymethoxybenzenesulphonate)","6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - 2-(hydroxymethoxy)benzenesulfonic acid (1:1)",CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.OCOc4ccccc4S(=O)(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.OCOc4ccccc4S(=O)(=O)O,"InChI=1/C16H19N3O4S.C7H8O5S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;8-5-12-6-3-1-2-4-7(6)13(9,10)11/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-4,8H,5H2,(H,9,10,11)",C16H19N3O4S.C7H8O5S,,,,,,HBKNADYQBSYSCB-YWUHCJSESA-N,,,,,,,,,,,
100.049.316,254-267-5,39067-36-2,"2,4-dimethyl-6-propylcyclohex-3-ene-1-carbaldehyde","2,4-dimethyl-6-propylcyclohex-3-ene-1-carbaldehyde",CCCC1CC(=CC(C)C1C=O)C,CCCC1CC(=CC(C)C1C=O)C,"InChI=1/C12H20O/c1-4-5-11-7-9(2)6-10(3)12(11)8-13/h6,8,10-12H,4-5,7H2,1-3H3",C12H20O,,,,,,BLTXEBUOKHGUGI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.326,254-278-5,39082-01-4,4-chloro-N-(2-chlorophenyl)-3-oxobutyramide,4-chloro-N-(2-chlorophenyl)-3-oxobutanamide,ClCC(=O)CC(=O)Nc1ccccc1Cl,ClCC(=O)CC(=O)Nc1ccccc1Cl,"InChI=1/C10H9Cl2NO2/c11-6-7(14)5-10(15)13-9-4-2-1-3-8(9)12/h1-4H,5-6H2,(H,13,15)",C10H9Cl2NO2,,,,,,OMZUSMXJSPFYOY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.329,254-281-1,39083-38-0,"3,4,5,5-tetramethylhex-2-ene","3,4,5,5-tetramethylhex-2-ene",CC(C(C)=CC)C(C)(C)C,CC(C(C)=CC)C(C)(C)C,"InChI=1/C10H20/c1-7-8(2)9(3)10(4,5)6/h7,9H,1-6H3",C10H20,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11261,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.329,PSSMIMCIKZSQIG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.330,254-282-7,39085-59-1,"2,4,6-triisopropylbenzenesulphonohydrazide","2,4,6-triisopropylbenzenesulfonohydrazide",CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NN,CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NN,"InChI=1/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H3",C15H26N2O2S,,,,,,UGRVYFQFDZRNMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.340,254-293-7,39104-30-8,"Sodium 2-(2,4-dichlorophenoxy)propionate","sodium 2-(2,4-dichlorophenoxy)propanoate",[Na+].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],[Na+].CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H8Cl2O3.Na/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);/q;+1/p-1",C9H8Cl2O3.Na,,,,,,XWAFIZUTHLRWBE-UHFFFAOYSA-M,,,,,,,,,,,
100.049.341,254-294-2,39106-10-0,"2-chloro-N-(2,4-dimethylphenyl)acetamide","2-chloro-N-(2,4-dimethylphenyl)acetamide",Cc1ccc(NC(=O)CCl)c(C)c1,Cc1ccc(NC(=O)CCl)c(C)c1,"InChI=1/C10H12ClNO/c1-7-3-4-9(8(2)5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)",C10H12ClNO,,,,,,MZTGUDQVUJJYCK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.342,254-295-8,39108-34-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanesulphonic acid","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid",OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)",C10H5F17O3S,,,,,,ALVYVCQIFHTIRD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.023,259-445-6,55035-39-7,"4,6-dicyclopentyl-1,1,3,3-tetramethylindan-5-ol","4,6-dicyclopentyl-1,1,3,3-tetramethylindan-5-ol",CC1(C)CC(C)(C)c2c(C3CCCC3)c(O)c(cc12)C4CCCC4,CC1(C)CC(C)(C)c2c(C3CCCC3)c(O)c(cc12)C4CCCC4,"InChI=1/C23H34O/c1-22(2)14-23(3,4)20-18(22)13-17(15-9-5-6-10-15)21(24)19(20)16-11-7-8-12-16/h13,15-16,24H,5-12,14H2,1-4H3",C23H34O,,,,,,AQAKSSZDOPQCQK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.026,259-448-2,55036-37-8,"2,2'-methylenebis[4,6-dicyclopentyl-m-cresol]","2,2'-methylenebis(4,6-dicyclopentyl-3-methylphenol)",Cc1c(Cc2c(C)c(cc(C3CCCC3)c2O)C4CCCC4)c(O)c(cc1C5CCCC5)C6CCCC6,Cc1c(Cc2c(C)c(cc(C3CCCC3)c2O)C4CCCC4)c(O)c(cc1C5CCCC5)C6CCCC6,"InChI=1/C35H48O2/c1-22-28(24-11-3-4-12-24)19-32(26-15-7-8-16-26)34(36)30(22)21-31-23(2)29(25-13-5-6-14-25)20-33(35(31)37)27-17-9-10-18-27/h19-20,24-27,36-37H,3-18,21H2,1-2H3",C35H48O2,,,,,,KUAITNWUCYKODM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.033,259-456-6,55048-24-3,3-chloro-4-morpholinoaniline,3-chloro-4-morpholin-4-ylaniline,Nc1ccc(N2CCOCC2)c(Cl)c1,Nc1ccc(N2CCOCC2)c(Cl)c1,"InChI=1/C10H13ClN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2",C10H13ClN2O,,,,,,BBUAXVLPFRRBQR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.034,259-457-1,55050-40-3,7-methyl-3-methyleneoct-6-enal,7-methyl-3-methyleneoct-6-enal,CC(=CCCC(=C)CC=O)C,CC(=CCCC(=C)CC=O)C,"InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,8H,3-4,6-7H2,1-2H3",C10H16O,,,,,,ODULZPPCXSTHDT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.040,259-463-4,55066-54-1,"3,3-dimethyl-8,9-dinorbornan-2-yl benzoate","1,3,3-trimethylbicyclo[2.2.1]hept-2-yl benzoate",CC12CCC(C1)C(C)(C)C2OC(=O)c3ccccc3,CC12CCC(C1)C(C)(C)C2OC(=O)c3ccccc3,"InChI=1/C17H22O2/c1-16(2)13-9-10-17(3,11-13)15(16)19-14(18)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3",C17H22O2,,,,,,CFCOHOJKZGUZDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.041,259-465-5,55066-56-3,p-tolyl isovalerate,4-methylphenyl 3-methylbutanoate,CC(C)CC(=O)Oc1ccc(C)cc1,CC(C)CC(=O)Oc1ccc(C)cc1,"InChI=1/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3",C12H16O2,,,,,,MVDPTWHTUYDLTL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.712,258-002-4,52551-67-4,2-[bis(2-hydroxyethyl)amino]-5-nitrophenol,2-[bis(2-hydroxyethyl)amino]-5-nitrophenol,OCCN(CCO)c1ccc(cc1O)[N+](=O)[O-],OCCN(CCO)c1ccc(cc1O)[N+](=O)[O-],"InChI=1/C10H14N2O5/c13-5-3-11(4-6-14)9-2-1-8(12(16)17)7-10(9)15/h1-2,7,13-15H,3-6H2",C10H14N2O5,,,,,,ULLVPKLPBOZYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.714,258-005-0,52557-97-8,"Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate","methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate",COC(=O)C1C2CCC(C2)C1(C)C,COC(=O)C1C2CCC(C2)C1(C)C,"InChI=1/C11H18O2/c1-11(2)8-5-4-7(6-8)9(11)10(12)13-3/h7-9H,4-6H2,1-3H3",C11H18O2,,,,,,RIRHRDQSVNKELB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.729,258-021-8,52584-01-7,"Oleic acid, compound with (Z)-2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazole-1-ethanol (1:1)","octadec-9-enoic acid - 2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCCCCCCC\\C=C/CCCCCCCC1=NCCN1CCO,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCO,"InChI=1/C22H42N2O.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,25H,2-8,11-21H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C22H42N2O.C18H34O2,,,,,,WTAQLNDBXXAOPJ-QZOPMXJLSA-N,,,,,,,,,,,
100.052.730,258-022-3,52584-05-1,"5-oxo-L-proline, compound with dodecyl 6-aminohexanoate (1:1)",5-oxo-L-proline - dodecyl 6-aminohexanoate (1:1),CCCCCCCCCCCCOC(=O)CCCCCN.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCOC(=O)CCCCCN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C18H37NO2.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-14-17-21-18(20)15-12-11-13-16-19;7-4-2-1-3(6-4)5(8)9/h2-17,19H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C18H37NO2.C5H7NO3,,,,,,QRXDCWZSODTMEF-HVDRVSQOSA-N,,,,,,,,,,,
100.052.733,258-026-5,52584-47-1,"Sodium 2,5-dichloro-4-[4-[(4-dodecylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-{4-[(4-dodecylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(CCCCCCCCCCCC)cc2)C3=O,[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(CCCCCCCCCCCC)cc2)C3=O,"InChI=1/C28H36Cl2N4O4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-22(17-15-21)31-32-27-20(2)33-34(28(27)35)25-18-24(30)26(19-23(25)29)39(36,37)38;/h14-19,27H,3-13H2,1-2H3,(H,36,37,38);/q;+1/p-1",C28H36Cl2N4O4S.Na,,,,,,KLJZTSSCSBOTLK-UHFFFAOYSA-M,,,,,,,,,,,
100.052.736,258-029-1,52591-25-0,"2,2'-(1,3,4-oxadiazole-2,5-diyl)bis[1-aminoanthraquinone]","2,2'-(1,3,4-oxadiazole-2,5-diyl)bis(1-amino-9,10-anthraquinone)",Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)c4oc(nn4)c5ccc6C(=O)c7ccccc7C(=O)c6c5N,Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)c4oc(nn4)c5ccc6C(=O)c7ccccc7C(=O)c6c5N,"InChI=1/C30H16N4O5/c31-23-19(11-9-17-21(23)27(37)15-7-3-1-5-13(15)25(17)35)29-33-34-30(39-29)20-12-10-18-22(24(20)32)28(38)16-8-4-2-6-14(16)26(18)36/h1-12H,31-32H2",C30H16N4O5,,,,,,HFLBGLHPZPFPAU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.741,258-034-9,52602-39-8,9H-carbazol-4-ol,9H-carbazol-4-ol,Oc1cccc2[nH]c3ccccc3c12,Oc1cccc2[nH]c3ccccc3c12,"InChI=1/C12H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13-14H",C12H9NO,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6045,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.741,UEOHATPGKDSULR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.743,258-037-5,52605-49-9,Ethyl N-methylaminoacetate hydrochloride,ethyl N-methylglycinate hydrochloride,Cl.CCOC(=O)CNC,Cl.CCOC(=O)CNC,"InChI=1/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H",C5H11NO2.ClH,,,,,,NIDZUMSLERGAON-UHFFFAOYSA-N,,,,,,,,,,,
100.051.451,256-615-1,50526-53-9,"Dodecahydro-1,1-dimethyl-1H-naphtho[1,2-c]pyran","1,1-dimethyldodecahydro-1H-benzo[h]isochromene",CC1(C)OCCC2CCC3CCCCC3C12,CC1(C)OCCC2CCC3CCCCC3C12,"InChI=1/C15H26O/c1-15(2)14-12(9-10-16-15)8-7-11-5-3-4-6-13(11)14/h11-14H,3-10H2,1-2H3",C15H26O,,,,,,KDPFJSKAMCNRLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.455,256-619-3,50539-65-6,8-hydroxy-7-(1-naphthylazo)quinoline-5-sulphonic acid,8-hydroxy-7-(1-naphthyldiazenyl)quinoline-5-sulfonic acid,OS(=O)(=O)c3cc(N=Nc2cccc1ccccc12)c(O)c4ncccc34,OS(=O)(=O)c3cc(N=Nc2cccc1ccccc12)c(O)c4ncccc34,"InChI=1/C19H13N3O4S/c23-19-16(11-17(27(24,25)26)14-8-4-10-20-18(14)19)22-21-15-9-3-6-12-5-1-2-7-13(12)15/h1-11,23H,(H,24,25,26)",C19H13N3O4S,,,,,,GTBQEEPPEWJTGD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.456,256-620-9,50541-93-0,1-benzyl-4-piperidylamine,1-benzylpiperidin-4-amine,NC1CCN(Cc2ccccc2)CC1,NC1CCN(Cc2ccccc2)CC1,"InChI=1/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2",C12H18N2,,,,,,YUBDLZGUSSWQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.457,256-621-4,50542-90-0,"7-[(3,7-dimethylocta-2,6-dienyl)oxy]-4-methyl-2-benzopyrone","7-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-4-methyl-2H-chromen-2-one",CC(=CCCC(=CCOc1ccc2C(=CC(=O)Oc2c1)C)C)C,CC(=CCCC(=CCOc1ccc2C(=CC(=O)Oc2c1)C)C)C,"InChI=1/C20H24O3/c1-14(2)6-5-7-15(3)10-11-22-17-8-9-18-16(4)12-20(21)23-19(18)13-17/h6,8-10,12-13H,5,7,11H2,1-4H3",C20H24O3,,,,,,PFCHESZMLIVMTC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.465,256-630-3,50592-61-5,5-methylenenonanedinitrile,5-methylenenonanedinitrile,C=C(CCCC#N)CCCC#N,C=C(CCCC#N)CCCC#N,InChI=1/C10H14N2/c1-10(6-2-4-8-11)7-3-5-9-12/h1-7H2,C10H14N2,,,,,,KKWHJFKPVHVBSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.468,256-634-5,50594-66-6,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid,OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],"InChI=1/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)",C14H7ClF3NO5,,,,,,NUFNQYOELLVIPL-UHFFFAOYSA-N,Positive/Negative,EQ303201|EQ303202|EQ303203|EQ303204|EQ303205|EQ303206,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,343.9934:300.0036:222.9769|222.9769:300.0035:343.9934|222.9769:178.987:300.0033|222.9769:178.987:166.9871|178.987:132.0182:222.9769|132.0182:178.987:176.008,Eawag,EQ303251|EQ303252|EQ303253|EQ303254|EQ303255|EQ303256,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,315.9993:194.983:286.0015|194.983:137.0118:315.9993|194.9831:222.0298:137.0118|194.9831:222.0298:174.9767|194.983:174.9767:222.0298|194.9829:174.9767:69.0346,Eawag
100.051.471,256-637-1,50594-92-8,"1,2,4-triazolo[4,3-a]pyridin-3(2H)-one, sodium salt",-,[Na+].O=C1NN=C2C=CC=CN12,[Na+].O=C1NN=C2C=CC=CN12,"InChI=1/C6H5N3O.Na/c10-6-8-7-5-3-1-2-4-9(5)6;/h1-4H,(H,8,10);/q;+1",C6H5N3O.Na,,,,,,DHJVUTOGWXCZHU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.476,256-642-9,50599-78-5,4-(dimethylamino)-2-phenylbutyronitrile,4-(dimethylamino)-2-phenylbutanenitrile,CN(C)CCC(C#N)c1ccccc1,CN(C)CCC(C#N)c1ccccc1,"InChI=1/C12H16N2/c1-14(2)9-8-12(10-13)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3",C12H16N2,,,,,,SKQMIWWQYUSWFP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.480,256-647-6,50606-95-6,4-hexylbenzoyl chloride,4-hexylbenzoyl chloride,CCCCCCc1ccc(cc1)C(=O)Cl,CCCCCCc1ccc(cc1)C(=O)Cl,"InChI=1/C13H17ClO/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3",C13H17ClO,,,,,,XRAHLPNMIIAEPP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.487,256-654-4,50614-82-9,1-(3-methylbut-2-enyl)-1H-indole,1-(3-methylbut-2-en-1-yl)-1H-indole,CC(=CCn1ccc2ccccc12)C,CC(=CCn1ccc2ccccc12)C,"InChI=1/C13H15N/c1-11(2)7-9-14-10-8-12-5-3-4-6-13(12)14/h3-8,10H,9H2,1-2H3",C13H15N,,,,,,ZOXTWOMKOBJEAA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.490,256-658-6,50622-09-8,"L-(+)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol","(2,2-dimethyl-1,3-dioxolane-4,5-diyl)dimethanol",CC1(C)OC(CO)C(CO)O1,CC1(C)OC(CO)C(CO)O1,"InChI=1/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3",C7H14O4,,,,,,INVRLGIKFANLFP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.492,256-660-7,50622-51-0,N-(4-fluorophenyl)ethylenediamine,"N-(4-fluorophenyl)ethane-1,2-diamine",NCCNc1ccc(F)cc1,NCCNc1ccc(F)cc1,"InChI=1/C8H11FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,5-6,10H2",C8H11FN2,,,,,,CSGVXMPCKSSCSY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.495,256-663-3,50626-02-3,Ethyl 2-phenyl-3-furoate,ethyl 2-phenyl-3-furoate,CCOC(=O)c1ccoc1c2ccccc2,CCOC(=O)c1ccoc1c2ccccc2,"InChI=1/C13H12O3/c1-2-15-13(14)11-8-9-16-12(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3",C13H12O3,,,,,,VMAQXZDICAYJMS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.497,256-665-4,50629-89-5,"3ß,5a,6ß,17-tetrahydroxy-16a-methylpregnan-20-one 3-acetate","5,6,17-trihydroxy-16-methyl-20-oxopregnan-3-yl acetate",C[C@@H]1C[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C)OC(=O)C,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C)OC(=O)C,"InChI=1/C24H38O6/c1-13-10-19-17-11-20(27)23(28)12-16(30-15(3)26)6-8-21(23,4)18(17)7-9-22(19,5)24(13,29)14(2)25/h13,16-20,27-29H,6-12H2,1-5H3",C24H38O6,,,,,,GPUSZBZFXMIRDS-MZVKURBCSA-N,,,,,,,,,,,
100.052.769,258-065-8,52641-69-7,Sodium 1H-benzotriazolethiolate,sodium 1H-benzotriazole-4-thiolate,[Na+].[S-]c1cccc2[nH]nnc12,[Na+].[S-]c1cccc2[nH]nnc12,"InChI=1/C6H5N3S.Na/c10-5-3-1-2-4-6(5)8-9-7-4;/h1-3,10H,(H,7,8,9);/q;+1/p-1",C6H5N3S.Na,,,,,,PZLCLAFHXSDFTN-UHFFFAOYSA-M,,,,,,,,,,,
100.051.839,257-041-4,51191-33-4,Octyl (S)-lactate,octyl 2-hydroxypropanoate,CCCCCCCCOC(=O)[C@H](C)O,CCCCCCCCOC(=O)[C@H](C)O,"InChI=1/C11H22O3/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10,12H,3-9H2,1-2H3",C11H22O3,,,,,,SFBIZPBTKROSDE-JTQLQIEISA-N,,,,,,,,,,,
100.051.855,257-059-2,51210-01-6,2-(hydroxymethyl)menthol,2-(hydroxymethyl)-6-isopropyl-3-methylcyclohexanol,OCC1C(C)CCC(C(C)C)C1O,OCC1C(C)CCC(C(C)C)C1O,"InChI=1/C11H22O2/c1-7(2)9-5-4-8(3)10(6-12)11(9)13/h7-13H,4-6H2,1-3H3",C11H22O2,,,,,,UCRUTNJGISGZMY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.858,257-062-9,51219-89-7,Tetra[(2H3)methyl]urea,"1,1,3,3-tetramethylurea",CN(C)C(=O)N(C)C,CN(C)C(=O)N(C)C,InChI=1/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3,C5D12N2O,,,,,,AVQQQNCBBIEMEU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.860,257-065-5,51222-17-4,Chromium acrylate,chromium(2+) diacrylate,[Cr+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Cr+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Cr/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.xCr,,,,,,JUPDCLPDWJDLRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.051.868,257-073-9,51234-98-1,Sodium methyl cyanocarbamate,-,[Na+].COC(=O)NC#N,[Na+].COC(=O)NC#N,"InChI=1/C3H4N2O2.Na/c1-7-3(6)5-2-4;/h1H3,(H,5,6);/q;+1",C3H4N2O2.Na,,,,,,QUIQWCANLJONHE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.870,257-076-5,51238-95-0,Dipentyl glutarate,dipentyl glutarate,CCCCCOC(=O)CCCC(=O)OCCCCC,CCCCCOC(=O)CCCC(=O)OCCCCC,"InChI=1/C15H28O4/c1-3-5-7-12-18-14(16)10-9-11-15(17)19-13-8-6-4-2/h3-13H2,1-2H3",C15H28O4,,,,,,MSICJOVDFUZPDG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.874,257-080-7,51246-70-9,1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol hydrochloride,1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol hydrochloride,Cl.CC(C)NCC(O)COc1cccc2[nH]ccc12,Cl.CC(C)NCC(O)COc1cccc2[nH]ccc12,"InChI=1/C14H20N2O2.ClH/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;/h3-7,10-11,15-17H,8-9H2,1-2H3;1H",C14H20N2O2.xClH,,,,,,MAUPDHMFNIUWSK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.378,258-736-5,53735-98-1,"1,2:5,6-di-O-isopropylidene-D-glucitol","1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol (non-preferred name)",CC1(C)OCC(O1)C(O)C(O)C2COC(C)(C)O2,CC1(C)OCC(O1)C(O)C(O)C2COC(C)(C)O2,"InChI=1/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3",C12H22O6,,,,,,ODYBCPSCYHAGHA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.381,258-739-1,53743-11-6,2-[2-[2-[2-(methylphenoxy)ethoxy]ethoxy]ethoxy]ethanol,2-(2-{2-[2-(2-methylphenoxy)ethoxy]ethoxy}ethoxy)ethanol,Cc1ccccc1OCCOCCOCCOCCO,Cc1ccccc1OCCOCCOCCOCCO,"InChI=1/C15H24O5/c1-14-4-2-3-5-15(14)20-13-12-19-11-10-18-9-8-17-7-6-16/h2-5,16H,6-13H2,1H3",C15H24O5,,,,,,MSFSWHVXTQFZPI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.774,253-670-3,37795-09-8,"2-[(2-ethyl-3-benzofuranyl)methyl]-4,5-dihydro-1H-imidazolium chloride","2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCc1oc2ccccc2c1CC3=NCC[NH2+]3,[Cl-].CCc1oc2ccccc2c1CC3=NCC[NH2+]3,"InChI=1/C14H16N2O.ClH/c1-2-12-11(9-14-15-7-8-16-14)10-5-3-4-6-13(10)17-12;/h3-6H,2,7-9H2,1H3,(H,15,16);1H",C14H16N2O.ClH,,,,,,YDDYHDKRIBOHOT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.785,253-682-9,37832-65-8,"Bis(3,3,5-trimethylcyclohexyl) phthalate","bis(3,3,5-trimethylcyclohexyl) phthalate",CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2C(=O)OC3CC(C)CC(C)(C)C3,CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2C(=O)OC3CC(C)CC(C)(C)C3,"InChI=1/C26H38O4/c1-17-11-19(15-25(3,4)13-17)29-23(27)21-9-7-8-10-22(21)24(28)30-20-12-18(2)14-26(5,6)16-20/h7-10,17-20H,11-16H2,1-6H3",C26H38O4,,,,,,ATHBXDPWCKSOLE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.786,253-683-4,37837-09-5,Menthyl hydroperoxide,2-isopropyl-5-methylcyclohexyl hydroperoxide,OOC1CC(C)CCC1C(C)C,OOC1CC(C)CCC1C(C)C,"InChI=1/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3",C10H20O2,,,,,,OZTWDFWAMMUDHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.792,253-690-2,37847-52-2,"2,4-difluoro-1,1'-biphenyl","2,4-difluorobiphenyl",Fc1ccc(c(F)c1)c2ccccc2,Fc1ccc(c(F)c1)c2ccccc2,InChI=1/C12H8F2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H,C12H8F2,,,,,,JVHAJKHGPDDEEU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.793,253-691-8,37847-87-3,"1,1'-dithiobis[N-phenylformamidine]",({imino[(phenylcarbamimidoyl)disulfanyl]methyl}amino)benzene,N=C(Nc1ccccc1)SSC(=N)Nc2ccccc2,N=C(Nc1ccccc1)SSC(=N)Nc2ccccc2,"InChI=1/C14H14N4S2/c15-13(17-11-7-3-1-4-8-11)19-20-14(16)18-12-9-5-2-6-10-12/h1-10H,(H2,15,17)(H2,16,18)",C14H14N4S2,,,,,,CZKMHYBROYUFDV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.794,253-692-3,37853-59-1,"1,1'-[ethane-1,2-diylbisoxy]bis[2,4,6-tribromobenzene]","1,1'-[ethane-1,2-diylbis(oxy)]bis(2,4,6-tribromobenzene)",Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1,Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1,"InChI=1/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2",C14H8Br6O2,,,,,,YATIGPZCMOYEGE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.795,253-693-9,37853-61-5,"4,4'-(isopropylidene)bis[2,6-dibromoanisole] m","1,1'-propane-2,2-diylbis(3,5-dibromo-4-methoxybenzene)",COc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OC)c(Br)c2,COc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OC)c(Br)c2,"InChI=1/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3",C17H16Br4O2,,,,,,XRQKNNNAKHZPSP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.345,254-298-4,39115-96-3,m-bromobenzohydrazide,3-bromobenzohydrazide,NNC(=O)c1cccc(Br)c1,NNC(=O)c1cccc(Br)c1,"InChI=1/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)",C7H7BrN2O,,,,,,BNAQRAZIPAHWAR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.350,254-305-0,39123-31-4,3-propylrhodanine,"3-propyl-2-thioxo-1,3-thiazolidin-4-one",CCCN1C(=O)CSC1=S,CCCN1C(=O)CSC1=S,"InChI=1/C6H9NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3",C6H9NOS2,,,,,,KKDLWQFJOGDMBI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.351,254-306-6,39123-58-5,2-(2-hydroxyanilino)ethanol,2-[(2-hydroxyethyl)amino]phenol,OCCNc1ccccc1O,OCCNc1ccccc1O,"InChI=1/C8H11NO2/c10-6-5-9-7-3-1-2-4-8(7)11/h1-4,9-11H,5-6H2",C8H11NO2,,,,,,VYHSWZULFYFDMO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.352,254-307-1,39129-16-3,Methyl 2-[(phenylmethylene)amino]benzoate,methyl 2-(benzylideneamino)benzoate,COC(=O)c2ccccc2N=Cc1ccccc1,COC(=O)c2ccccc2N=Cc1ccccc1,"InChI=1/C15H13NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-11H,1H3",C15H13NO2,,,,,,ZCFRWOFFFLZLDU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.353,254-308-7,39131-44-7,5-(bromomethyl)-2-furaldehyde,5-(bromomethyl)-2-furaldehyde,BrCc1oc(C=O)cc1,BrCc1oc(C=O)cc1,"InChI=1/C6H5BrO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2",C6H5BrO2,,,,,,HJYHSCTYDCMXPG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.354,254-309-2,39133-31-8,Trimebutine,"2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate",CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2,"InChI=1/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3",C22H29NO5,,,,,,LORDFXWUHHSAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.355,254-310-8,39135-39-2,"2,6-dimethyl-1-piperidylamine","2,6-dimethylpiperidin-1-amine",CC1CCCC(C)N1N,CC1CCCC(C)N1N,"InChI=1/C7H16N2/c1-6-4-3-5-7(2)9(6)8/h6-7H,3-5,8H2,1-2H3",C7H16N2,,,,,,UAHWWAIVYPJROV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.255,258-599-1,53518-15-3,7-amino-4-(trifluoromethyl)-2-benzopyrone,7-amino-4-(trifluoromethyl)-2H-chromen-2-one,Nc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,Nc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,"InChI=1/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2",C10H6F3NO2,,,,,,JBNOVHJXQSHGRL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.260,258-604-7,53521-34-9,Methyldioctylphosphine oxide,methyl(dioctyl)phosphine oxide,CCCCCCCCP(=O)(C)CCCCCCCC,CCCCCCCCP(=O)(C)CCCCCCCC,"InChI=1/C17H37OP/c1-4-6-8-10-12-14-16-19(3,18)17-15-13-11-9-7-5-2/h4-17H2,1-3H3",C17H37OP,,,,,,FJHSIHZRUMQCEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.264,258-609-4,53531-31-0,9-anthryl trifluoromethyl ketone,"1-(9-anthryl)-2,2,2-trifluoroethanone",FC(F)(F)C(=O)c1c2ccccc2cc3ccccc13,FC(F)(F)C(=O)c1c2ccccc2cc3ccccc13,"InChI=1/C16H9F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H",C16H9F3O,,,,,,MNCMBBIFTVWHIP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.267,258-613-6,53533-25-8,"1-(2,2-dimethoxyethoxy)-2-ethylhexane","3-[(2,2-dimethoxyethoxy)methyl]heptane",CCCCC(CC)COCC(OC)OC,CCCCC(CC)COCC(OC)OC,"InChI=1/C12H26O3/c1-5-7-8-11(6-2)9-15-10-12(13-3)14-4/h11-12H,5-10H2,1-4H3",C12H26O3,,,,,,DMBSAAZSRLMQPK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.276,258-623-0,53554-24-8,"Trisodium 4-amino-5-hydroxy-3-[[4-[(2-hydroxy-6-sulphonato-1-naphthyl)azo]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-({4-[(2-hydroxy-6-sulfonato-1-naphthyl)diazenyl]phenyl}diazenyl)-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c6N=Nc3ccc(cc3)N=Nc4c5ccc(cc5ccc4O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c6N=Nc3ccc(cc3)N=Nc4c5ccc(cc5ccc4O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C32H23N7O11S3.3Na/c33-28-27-18(16-26(53(48,49)50)31(32(27)41)39-34-19-4-2-1-3-5-19)15-25(52(45,46)47)30(28)38-36-21-9-7-20(8-10-21)35-37-29-23-12-11-22(51(42,43)44)14-17(23)6-13-24(29)40;;;/h1-16,40-41H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",C32H23N7O11S3.3Na,,,,,,HINANDINUDNJPJ-UHFFFAOYSA-K,,,,,,,,,,,
100.053.284,258-631-4,53566-76-0,"tert-butyl 2,2-dimethylperoxybutyrate","tert-butyl 2,2-bis(methylperoxy)butanoate",CCC(OOC)(OOC)C(=O)OC(C)(C)C,CCC(OOC)(OOC)C(=O)OC(C)(C)C,"InChI=1/C10H20O6/c1-7-10(15-12-5,16-13-6)8(11)14-9(2,3)4/h7H2,1-6H3",C10H20O3,,,,,,QSPJEYFYZUBBKM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.803,258-102-8,52686-09-6,3-(2-hydroxyethyl)-2-[3-[3-(2-hydroxyethyl)-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]benzothiazolium bromide,"3-(2-hydroxyethyl)-2-{3-[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]-2-methylprop-1-en-1-yl}-1,3-benzothiazol-3-ium bromide",[Br-].OCC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCO,[Br-].OCC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCO,"InChI=1/C22H23N2O2S2.BrH/c1-16(14-21-23(10-12-25)17-6-2-4-8-19(17)27-21)15-22-24(11-13-26)18-7-3-5-9-20(18)28-22;/h2-9,14-15,25-26H,10-13H2,1H3;1H/q+1;/p-1",C22H23N2O2S2.Br,,,,,,HQUBHKNBGQLDPD-UHFFFAOYSA-M,,,,,,,,,,,
100.052.744,258-038-0,52605-52-4,1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride,1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride,[Cl-].ClCCCN1CC[NH+](CC1)c2cccc(Cl)c2,[Cl-].ClCCCN1CC[NH+](CC1)c2cccc(Cl)c2,"InChI=1/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H",C13H18Cl2N2.ClH,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10658,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.744,JVLRNANYLVRULL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.746,258-040-1,52607-81-5,2-[[(methylamino)carbonyl]oxy]ethyl acrylate,2-[(methylcarbamoyl)oxy]ethyl acrylate,CNC(=O)OCCOC(=O)C=C,CNC(=O)OCCOC(=O)C=C,"InChI=1/C7H11NO4/c1-3-6(9)11-4-5-12-7(10)8-2/h3H,1,4-5H2,2H3,(H,8,10)",C7H11NO4,,,,,,QCQXVTVJGLHITJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.751,252-541-9,35395-64-3,Tetrahydrofurfuryl hydrogen phthalate,2-[(tetrahydrofuran-2-ylmethoxy)carbonyl]benzoic acid,OC(=O)c1ccccc1C(=O)OCC2CCCO2,OC(=O)c1ccccc1C(=O)OCC2CCCO2,"InChI=1/C13H14O5/c14-12(15)10-5-1-2-6-11(10)13(16)18-8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)",C13H14O5,,,,,,UVTWTSOAOYEVAL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.899,254-907-3,40401-39-6,1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine,1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine,Cc1cc(N)n(n1)c2ccc(Cl)cc2,Cc1cc(N)n(n1)c2ccc(Cl)cc2,"InChI=1/C10H10ClN3/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,12H2,1H3",C10H10ClN3,,,,,,CLORQKXFDBKDCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.903,254-912-0,40420-22-2,Diethyl 3-oxoheptanedioate,diethyl 3-oxoheptanedioate,CCOC(=O)CCCC(=O)CC(=O)OCC,CCOC(=O)CCCC(=O)CC(=O)OCC,"InChI=1/C11H18O5/c1-3-15-10(13)7-5-6-9(12)8-11(14)16-4-2/h3-8H2,1-2H3",C11H18O5,,,,,,RTMQRCLOAACETL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.910,254-919-9,40438-48-0,2-(diphenylmethylsilyl)ethanol,2-[methyl(diphenyl)silyl]ethanol,C[Si](CCO)(c1ccccc1)c2ccccc2,C[Si](CCO)(c1ccccc1)c2ccccc2,"InChI=1/C15H18OSi/c1-17(13-12-16,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3",C15H18OSi,,,,,,RYVPOJDQPLVTLT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.914,254-924-6,40454-19-1,"(5-methoxy-1,5-dimethylhexyl)oxirane","2-(5-methoxy-1,5-dimethylhexyl)oxirane",COC(C)(C)CCCC(C)C1CO1,COC(C)(C)CCCC(C)C1CO1,"InChI=1/C11H22O2/c1-9(10-8-13-10)6-5-7-11(2,3)12-4/h9-10H,5-8H2,1-4H3",C11H22O2,,,,,,MHVFOTUBLLMFMY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.917,254-927-2,40456-28-8,"4-[(tetrahydro-3-thienyl)oxy]but-2-yn-1-ol S,S-dioxide","4-[(1,1-dioxidotetrahydrothiophen-3-yl)oxy]but-2-yn-1-ol",OCC#CCOC1CCS(=O)(=O)C1,OCC#CCOC1CCS(=O)(=O)C1,"InChI=1/C8H12O4S/c9-4-1-2-5-12-8-3-6-13(10,11)7-8/h8-9H,3-7H2",C8H12O4S,,,,,,IYVRQNNFGZTQFF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.921,254-931-4,40463-72-7,"N-[(tert-butoxy)carbonyl]-1-formyl-L-tryptophan, compound with dicyclohexylamine (1:1)",N-(tert-butoxycarbonyl)-1-formyl-L-tryptophan - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)O.C3CCC(CC3)NC4CCCCC4,CC(C)(C)OC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)O.C3CCC(CC3)NC4CCCCC4,"InChI=1/C17H20N2O5.C12H23N/c1-17(2,3)24-16(23)18-13(15(21)22)8-11-9-19(10-20)14-7-5-4-6-12(11)14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,9-10,13H,8H2,1-3H3,(H,18,23)(H,21,22);11-13H,1-10H2",C17H20N2O5.C12H23N,,,,,,SBBCJDBFGROQIM-ZOWNYOTGSA-N,,,,,,,,,,,
100.049.927,254-938-2,40487-42-1,"N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine","N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline",CCC(CC)Nc1c(cc(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-],CCC(CC)Nc1c(cc(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3",C13H19N3O4,,,,,,CHIFOSRWCNZCFN-UHFFFAOYSA-N,Positive,SM843503;EQ311601|EQ311602|EQ311603|EQ311604|EQ311605|EQ311606;UF405901|UF405902|UF405903|UF405904,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90;HCD55|HCD80|CID35|CID55,214.0715:176.1435:212.0667;212.0666:71.0855:194.0561|212.0666:194.0561:71.0855|194.0561:212.0667:118.0525|91.0417:148.0632:119.0604|119.0604:91.0417:92.0495|92.0495:119.0604:65.0386;194.0561:148.0631:118.0526|119.0603:148.0631:92.0494|212.0665:194.056:266.02|212.0666:194.0562:266.0193,CASMI_2016;Eawag;UFZ,,,,,
100.049.935,254-947-1,40507-94-6,6-chloro-3-(chloromethyl)benzoxazol-2(3H)-one,"6-chloro-3-(chloromethyl)-1,3-benzoxazol-2(3H)-one",ClCN1C(=O)Oc2cc(Cl)ccc12,ClCN1C(=O)Oc2cc(Cl)ccc12,"InChI=1/C8H5Cl2NO2/c9-4-11-6-2-1-5(10)3-7(6)13-8(11)12/h1-3H,4H2",C8H5Cl2NO2,,,,,,DNIHQVLDLSLGQP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.940,254-952-9,40520-93-2,"(±)-malic acid, sodium salt",sodium 3-carboxy-3-hydroxypropanoate,OC(CC(=O)O[Na])C(=O)O,OC(CC(=O)O[Na])C(=O)O,"InChI=1/C4H6O5.Na/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+1/p-1",C4H6O5.xNa,,,,,,DOJOZCIMYABYPO-UHFFFAOYSA-M,,,,,,,,,,,
100.049.941,254-953-4,40522-91-6,Dimethyl-9H-xanthene,"1,2-dimethyl-9H-xanthene",Cc1ccc2Oc3ccccc3Cc2c1C,Cc1ccc2Oc3ccccc3Cc2c1C,"InChI=1/C15H14O/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3",C15H14O,,,,,,PQPVYEDTTQIKIA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.576,254-552-4,39637-74-6,3-oxa-2-oxobornane-4-carbonyl chloride,"4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride",CC1(C)C2(C)CCC1(OC2=O)C(=O)Cl,CC1(C)C2(C)CCC1(OC2=O)C(=O)Cl,"InChI=1/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3",C10H13ClO3,,,,,,PAXWODJTHKJQDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.770,258-066-3,52642-40-7,Trisodium sulphonatophthalate,trisodium 3-sulfonatophthalate,[Na+].[Na+].[Na+].[O-]C(=O)c1cccc(c1C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]C(=O)c1cccc(c1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C8H6O7S.3Na/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;/q;3*+1/p-3",C8H6O7S.3Na,,,,,,ADQZBWJHUFQOBT-UHFFFAOYSA-K,,,,,,,,,,,
100.052.771,258-067-9,52645-53-1,"m-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,"InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",C21H20Cl2O3,,,,,,RLLPVAHGXHCWKJ-UHFFFAOYSA-N,Positive,EQ307401|EQ307402|EQ307403|EQ307404|EQ307405|EQ307406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,149.0233:167.0338:71.0854|149.0234:71.0855:167.0339|149.0234:71.0855:57.0699|149.0234:71.0855:57.0699|149.0234:121.0284:65.0386|149.0234:121.0284:65.0386,Eawag,,,,,
100.052.780,258-077-3,52658-82-9,"N,N-bis[2-(octylamino)ethyl]-glycine hydrochloride","N,N-bis[2-(octylamino)ethyl]glycine hydrochloride",Cl.CCCCCCCCNCCN(CCNCCCCCCCC)CC(=O)O,Cl.CCCCCCCCNCCN(CCNCCCCCCCC)CC(=O)O,"InChI=1/C22H47N3O2.ClH/c1-3-5-7-9-11-13-15-23-17-19-25(21-22(26)27)20-18-24-16-14-12-10-8-6-4-2;/h23-24H,3-21H2,1-2H3,(H,26,27);1H",C22H47N3O2.xClH,,,,,,UJGGQEYOOLJLOB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.781,258-078-9,52661-56-0,(E)-3-(5-nitro-2-furyl)acrylaldehyde,3-(5-nitro-2-furyl)acrylaldehyde,[O-][N+](=O)c1oc(\\C=C\\C=O)cc1,[O-][N+](=O)c1oc(\C=C\C=O)cc1,InChI=1/C7H5NO4/c9-5-1-2-6-3-4-7(12-6)8(10)11/h1-5H,C7H5NO4,,,,,,DXWCZMGIIFEEPU-OWOJBTEDSA-N,,,,,,,,,,,
100.052.786,258-084-1,52665-69-7,"4-Benzoxazolecarboxylic acid, 5-(methylamino)-2-[[3,9,11-trimethyl-8-[1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-, [6S-[6a(2S*,3S*),8ß(R*),9ß,11a]]-","5-(methylamino)-2-({3,9,11-trimethyl-8-[1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid",CNc1ccc2oc(CC3OC4(CCC3C)OC(C(C)C(=O)c5ccc[nH]5)C(C)CC4C)nc2c1C(=O)O,CNc1ccc2oc(CC3OC4(CCC3C)OC(C(C)C(=O)c5ccc[nH]5)C(C)CC4C)nc2c1C(=O)O,"InChI=1/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)",C29H37N3O6,,,,,,HIYAVKIYRIFSCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.098,252-924-0,36219-73-5,Undec-10-en-2-one,undec-10-en-2-one,CC(=O)CCCCCCCC=C,CC(=O)CCCCCCCC=C,"InChI=1/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3",C11H20O,,,,,,FJHNSGVMPSITEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.100,252-926-1,36221-65-5,Chromium(3+) sodium disulphate,chromium(3+) sodium disulphate,[Na+].[Cr+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Na+].[Cr+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Cr.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",Cr.2H2O4S.Na,,,,,,MILMJAFFMWCPLL-UHFFFAOYSA-J,,,,,,,,,,,
100.048.103,252-929-8,36227-43-7,"4-hydroxybutyl (2,4-dichlorophenoxy)acetate","4-hydroxybutyl (2,4-dichlorophenoxy)acetate",OCCCCOC(=O)COc1ccc(Cl)cc1Cl,OCCCCOC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C12H14Cl2O4/c13-9-3-4-11(10(14)7-9)18-8-12(16)17-6-2-1-5-15/h3-4,7,15H,1-2,5-6,8H2",C12H14Cl2O4,,,,,,CTJHMNLYFUNLIM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.108,252-935-0,36250-83-6,Calcium octadecylbenzenesulphonate,calcium bis(2-octadecylbenzenesulfonate),[Ca+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C24H42O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27;/h2*18-19,21-22H,2-17,20H2,1H3,(H,25,26,27);/q;;+2/p-2",C24H42O3S.1/2Ca,,,,,,ULVLNTMEOYASBT-UHFFFAOYSA-L,,,,,,,,,,,
100.048.118,252-946-0,36275-29-3,"(-)-1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one","3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC3(C)C2CCC3(C)C(=O)C2=Cc1ccccc1,CC3(C)C2CCC3(C)C(=O)C2=Cc1ccccc1,"InChI=1/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3",C17H20O,,,,,,OIQXFRANQVWXJF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.120,252-948-1,36280-77-0,"9,10-ethanoanthracene-9(10H)-carbaldehyde","9,10-ethanoanthracene-9(10H)-carbaldehyde",O=CC12CCC(c3ccccc13)c4ccccc24,O=CC12CCC(c3ccccc13)c4ccccc24,"InChI=1/C17H14O/c18-11-17-10-9-12(13-5-1-3-7-15(13)17)14-6-2-4-8-16(14)17/h1-8,11-12H,9-10H2",C17H14O,,,,,,BPZMYSHIRKBEKU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.123,252-951-8,36291-32-4,"Citric acid, monoester with glycerol","2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]-2-hydroxysuccinic acid",OCC(O)COC(=O)CC(O)(CC(=O)O)C(=O)O,OCC(O)COC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C9H14O9/c10-3-5(11)4-18-7(14)2-9(17,8(15)16)1-6(12)13/h5,10-11,17H,1-4H2,(H,12,13)(H,15,16)",C9H14O9,,,,,,VQENOYXMFIFHCY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.632,254-615-6,39746-00-4,"[3aR-(3aa,4a,5ß,6aa)]-hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate",4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate,OCC1C(CC2OC(=O)CC12)OC(=O)c3ccccc3,OCC1C(CC2OC(=O)CC12)OC(=O)c3ccccc3,"InChI=1/C15H16O5/c16-8-11-10-6-14(17)19-12(10)7-13(11)20-15(18)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2",C15H16O5,,,,,,OBRRYUZUDKVCOO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.638,254-621-9,39761-68-7,"2,4,4,6,6-pentamethylhept-2-ene","2,4,4,6,6-pentamethylhept-2-ene",CC(=CC(C)(C)CC(C)(C)C)C,CC(=CC(C)(C)CC(C)(C)C)C,"InChI=1/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h8H,9H2,1-7H3",C12H24,,,,,,DRHABPMHZRIRAH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.797,253-696-5,37865-86-4,6-ethoxy-1H-indole,6-ethoxy-1H-indole,CCOc1ccc2cc[nH]c2c1,CCOc1ccc2cc[nH]c2c1,"InChI=1/C10H11NO/c1-2-12-9-4-3-8-5-6-11-10(8)7-9/h3-7,11H,2H2,1H3",C10H11NO,,,,,,RPMWEGXHQSEPPH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.798,253-697-0,37871-12-8,tert-butylethylbenzene,"(1,2,2-trimethylpropyl)benzene",CC(c1ccccc1)C(C)(C)C,CC(c1ccccc1)C(C)(C)C,"InChI=1/C12H18/c1-10(12(2,3)4)11-8-6-5-7-9-11/h5-10H,1-4H3",C12H18,,,,,,UYOAOYYUSXVILM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.801,253-700-5,37885-41-9,"2',4'-dichloropropiophenone","1-(2,4-dichlorophenyl)propan-1-one",CCC(=O)c1ccc(Cl)cc1Cl,CCC(=O)c1ccc(Cl)cc1Cl,"InChI=1/C9H8Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3",C9H8Cl2O,,,,,,FBMTWRZQBRHOPF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.802,253-701-0,37887-04-0,"(R*,S*)-3-mercaptobutan-2-ol",3-sulfanylbutan-2-ol,CC(O)C(C)S,CC(O)C(C)S,"InChI=1/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3",C4H10OS,,,,,,MJQWABQELVFQJL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.803,253-702-6,37891-88-6,"Sodium 3,4-dimethoxyphenylglyoxylate","sodium (3,4-dimethoxyphenyl)(oxo)acetate",[Na+].COc1ccc(cc1OC)C(=O)C(=O)[O-],[Na+].COc1ccc(cc1OC)C(=O)C(=O)[O-],"InChI=1/C10H10O5.Na/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1",C10H10O5.Na,,,,,,BBHVQBQNEHFBIO-UHFFFAOYSA-M,,,,,,,,,,,
100.048.804,253-703-1,37893-02-0,"N-[3-phenyl-4,5-bis[(trifluoromethyl)imino]thiazolidin-2-ylidene]aniline","N-{3-phenyl-4,5-bis[(trifluoromethyl)imino]-1,3-thiazolidin-2-ylidene}aniline",FC(F)(F)N=C2SC(=Nc1ccccc1)N(C2=NC(F)(F)F)c3ccccc3,FC(F)(F)N=C2SC(=Nc1ccccc1)N(C2=NC(F)(F)F)c3ccccc3,"InChI=1/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H",C17H10F6N4S,,,,,,IZFZCMFMJKDHJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.806,253-705-2,37895-73-1,"4,5-dibromoveratrole","1,2-dibromo-4,5-dimethoxybenzene",COc1cc(Br)c(Br)cc1OC,COc1cc(Br)c(Br)cc1OC,"InChI=1/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3",C8H8Br2O2,,,,,,ZYCLQXMMFJREPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.813,253-713-6,37911-28-7,(±)-oct-1-yn-3-ol,oct-1-yn-3-ol,CCCCCC(O)C#C,CCCCCC(O)C#C,"InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3",C8H14O,,,,,,VUGRNZHKYVHZSN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.814,253-714-1,37913-89-6,"Sodium 2-(2,4,5-trichlorophenoxy)propionate","sodium 2-(2,4,5-trichlorophenoxy)propanoate",[Na+].CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],[Na+].CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H7Cl3O3.Na/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;/h2-4H,1H3,(H,13,14);/q;+1/p-1",C9H7Cl3O3.Na,,,,,,UMJWXKDMIKWUJC-UHFFFAOYSA-M,,,,,,,,,,,
100.052.139,257-371-9,51744-78-6,"(E,E,E)-(±)-1-(8-hydroxy-6-methyl-1-oxododeca-2,4,6-trienyl)pyrrolidin-2-one","1-(8-hydroxy-6-methyldodeca-2,4,6-trienoyl)pyrrolidin-2-one",CCCCC(O)C=C(C)C=CC=CC(=O)N1CCCC1=O,CCCCC(O)C=C(C)C=CC=CC(=O)N1CCCC1=O,"InChI=1/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3",C17H25NO3,,,,,,ZYPGADGCNXOUJP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.146,257-379-2,51755-37-4,3-[(2-ethylhexyl)oxy]propylammonium acetate,3-[(2-ethylhexyl)oxy]propan-1-aminium acetate,CCCCC(CC)COCCC[NH3+].CC(=O)[O-],CCCCC(CC)COCCC[NH3+].CC(=O)[O-],"InChI=1/C11H25NO.C2H4O2/c1-3-5-7-11(4-2)10-13-9-6-8-12;1-2(3)4/h11H,3-10,12H2,1-2H3;1H3,(H,3,4)",C11H25NO.C2H4O2,,,,,,JLCVIBWCTKPHCN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.150,257-383-4,51759-77-4,"L-2-(2-amino-1,4,5,6-tetrahydro-4-pyridyl)-N-[[(1-carboxyphenethyl)amino]carbonyl]glycyl-N-(1-formylphenethyl)-L-valinamide, stereoisomer","N-[(1-carboxy-2-phenylethyl)carbamoyl]glycyl-2-(2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)-N~2~-(1-benzyl-2-oxoethyl)valinamide",CC(C)C(C1CCNC(=N1)N)(N(C(Cc2ccccc2)C=O)C(=O)CNC(=O)NC(Cc3ccccc3)C(=O)O)C(=O)N,CC(C)C(C1CCNC(=N1)N)(N(C(Cc2ccccc2)C=O)C(=O)CNC(=O)NC(Cc3ccccc3)C(=O)O)C(=O)N,"InChI=1/C30H39N7O6/c1-19(2)30(27(31)42,24-13-14-33-28(32)36-24)37(22(18-38)15-20-9-5-3-6-10-20)25(39)17-34-29(43)35-23(26(40)41)16-21-11-7-4-8-12-21/h3-12,18-19,22-24H,13-17H2,1-2H3,(H2,31,42)(H,40,41)(H3,32,33,36)(H2,34,35,43)",C30H39N7O6,,,,,,BHUOMNOHBBYDEL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.165,257-400-5,51766-21-3,Phenyl N-phenylphosphoramidochloridate,phenyl phenylamidochlorophosphate,ClP(=O)(Nc1ccccc1)Oc2ccccc2,ClP(=O)(Nc1ccccc1)Oc2ccccc2,"InChI=1/C12H11ClNO2P/c13-17(15,14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,14,15)",C12H11ClNO2P,,,,,,ZUQYQPGYEFBITH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.029,255-050-8,40711-41-9,Butylhydrazine oxalate,butylhydrazine oxalate,CCCCNN.OC(=O)C(=O)O,CCCCNN.OC(=O)C(=O)O,"InChI=1/C4H12N2.C2H2O4/c1-2-3-4-6-5;3-1(4)2(5)6/h6H,2-5H2,1H3;(H,3,4)(H,5,6)",C4H12N2.xC2H2O4,,,,,,WXOBLSRQYOWIBF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.033,255-055-5,40723-80-6,"1,1,1,2,2-pentafluoro-4-iodobutane","1,1,1,2,2-pentafluoro-4-iodobutane",FC(F)(F)C(F)(F)CCI,FC(F)(F)C(F)(F)CCI,"InChI=1/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2",C4H4F5I,,,,,,PPXVPFPTMXFUDE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.809,258-109-6,52695-54-2,3-[[4-[(2-ethoxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulphonic acid,3-({4-[(2-ethoxy-5-methylphenyl)diazenyl]-1-naphthyl}diazenyl)benzenesulfonic acid,CCOc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S(O)(=O)=O)c2ccccc23,CCOc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S(O)(=O)=O)c2ccccc23,"InChI=1/C25H22N4O4S/c1-3-33-25-14-11-17(2)15-24(25)29-28-23-13-12-22(20-9-4-5-10-21(20)23)27-26-18-7-6-8-19(16-18)34(30,31)32/h4-16H,3H2,1-2H3,(H,30,31,32)",C25H22N4O4S,,,,,,FYUIEFVEQGWFII-UHFFFAOYSA-N,,,,,,,,,,,
100.052.821,258-122-7,52709-86-1,"4'-propoxy[1,1'-biphenyl]-4-carbonitrile",4'-propoxybiphenyl-4-carbonitrile,CCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3",C16H15NO,,,,,,RZCQJZFWJZHMPK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.822,258-123-2,52709-87-2,"4'-butoxy[1,1'-biphenyl]-4-carbonitrile",4'-butoxybiphenyl-4-carbonitrile,CCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3",C17H17NO,,,,,,KPQVQWUNELODQE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.829,258-131-6,52722-53-9,"4-(2-pyridylazo)-1,3-bis(sodiooxy)benzene","disodium 4-(pyridin-2-yldiazenyl)benzene-1,3-diolate",[Na]Oc1ccc(N=Nc2ccccn2)c(O[Na])c1,[Na]Oc1ccc(N=Nc2ccccn2)c(O[Na])c1,"InChI=1/C11H9N3O2.2Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;/h1-7,15-16H;;/q;2*+1/p-2",C11H9N3O2.2Na,,,,,,PLPXLPIVACDMSI-UHFFFAOYSA-L,,,,,,,,,,,
100.052.835,258-137-9,52729-29-0,Aluminium triglycinate,aluminum tris(aminoacetate),[Al+3].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-],[Al+3].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-],"InChI=1/3C2H5NO2.Al/c3*3-1-2(4)5;/h3*1,3H2,(H,4,5);/q;;;+3/p-3",C6H12AlN3O6,,,,,,RUJUQAPQALJUPC-UHFFFAOYSA-K,,,,,,,,,,,
100.049.646,254-630-8,39780-55-7,"17,21-dihydroxy-16ß-methylpregna-1,4,9(11)-triene-3,20-dione 21-benzoate","17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl benzoate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccccc5,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccccc5,"InChI=1/C29H32O5/c1-18-15-24-22-10-9-20-16-21(30)11-13-27(20,2)23(22)12-14-28(24,3)29(18,33)25(31)17-34-26(32)19-7-5-4-6-8-19/h4-8,11-13,16,18,22,24,33H,9-10,14-15,17H2,1-3H3",C29H32O5,,,,,,IBKVCXOXJXABNY-SCKJBXJSSA-N,,,,,,,,,,,
100.049.655,254-640-2,39811-34-2,p-menthyl hydroperoxide,2-isopropyl-5-methylcyclohexyl hydroperoxide,CC(C)C1CCC(C)CC1OO,CC(C)C1CCC(C)CC1OO,"InChI=1/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3",C10H20O2,,,,,,OZTWDFWAMMUDHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.662,254-648-6,39831-55-5,Amikacin bis(sulphate),4-amino-N-{5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide disulfate (salt),NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O.OS(=O)(=O)O.OS(=O)(=O)O,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1/C22H43N5O13.2H2O4S/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21;2*1-5(2,3)4/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);2*(H2,1,2,3,4)",C22H43N5O13.2H2O4S,,,,,,FXKSEJFHKVNEFI-GCZBSULCSA-N,,,,,,,,,,,
100.049.665,254-651-2,39846-56-5,"Heptane-1,2-diyl diacetate","heptane-1,2-diyl diacetate",CCCCCC(COC(=O)C)OC(=O)C,CCCCCC(COC(=O)C)OC(=O)C,"InChI=1/C11H20O4/c1-4-5-6-7-11(15-10(3)13)8-14-9(2)12/h11H,4-8H2,1-3H3",C11H20O4,,,,,,PRVSFXXXZBBTJY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.667,254-653-3,39850-65-2,"(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acetic acid","(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acetic acid",CC1(C)C2CCC(C2)C1CC(=O)O,CC1(C)C2CCC(C2)C1CC(=O)O,"InChI=1/C11H18O2/c1-11(2)8-4-3-7(5-8)9(11)6-10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)",C11H18O2,,,,,,QJZWXXJNTXTQNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.672,254-659-6,39860-99-6,Pipotiazine,"10-{3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl}-N,N-dimethyl-10H-phenothiazine-2-sulfonamide",CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1,"InChI=1/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3",C24H33N3O3S2,,,,,,JOMHSQGEWSNUKU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.676,254-663-8,39872-57-6,"(E)-1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one","1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one",C\\C=C\\C(=O)C1CCC(C)(C)C=C1C,C\C=C\C(=O)C1CCC(C)(C)C=C1C,"InChI=1/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3",C13H20O,,,,,,NELDPSDYTZADSA-AATRIKPKSA-N,,,,,,,,,,,
100.049.683,254-671-1,39881-32-8,Butyl(1-methylpropyl)magnesium,butyl(sec-butyl)magnesium,CCCC[Mg]C(C)CC,CCCC[Mg]C(C)CC,"InChI=1/2C4H9.Mg/c2*1-3-4-2;/h3H,4H2,1-2H3;1,3-4H2,2H3;/rC8H18Mg/c1-4-6-7-9-8(3)5-2/h8H,4-7H2,1-3H3",C8H18Mg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16378,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.683,DBNGNEQZXBWPTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.685,254-673-2,39884-48-5,4-aminobutan-2-ol,4-aminobutan-2-ol,CC(O)CCN,CC(O)CCN,"InChI=1/C4H11NO/c1-4(6)2-3-5/h4,6H,2-3,5H2,1H3",C4H11NO,,,,,,NAXUFNXWXFZVSI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.585,254-562-9,39649-76-8,"11a-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide mono(toluene-p-sulphonate)","11a-chloro-4-(dimethylamino)-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide 4-methylbenzenesulfonate (salt)",CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3(Cl)C(=O)C2(O)C(=O)C(=C1O)C(=O)N.Cc5ccc(cc5)S(=O)(=O)O,CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3(Cl)C(=O)C2(O)C(=O)C(=C1O)C(=O)N.Cc5ccc(cc5)S(=O)(=O)O,"InChI=1/C22H21ClN2O8.C7H8O3S/c1-7-8-5-4-6-9(26)10(8)17(29)21(23)12(7)16(28)13-14(25(2)3)15(27)11(19(24)31)18(30)22(13,33)20(21)32;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,12-14,16,26-28,33H,1H2,2-3H3,(H2,24,31);2-5H,1H3,(H,8,9,10)",C22H21ClN2O8.C7H8O3S,,,,,,PRDYRXHTBQXJAR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.588,254-566-0,39652-32-9,3-chloro-4-methylbenzyl alcohol,(3-chloro-4-methylphenyl)methanol,Cc1ccc(CO)cc1Cl,Cc1ccc(CO)cc1Cl,"InChI=1/C8H9ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3",C8H9ClO,,,,,,NLRJZTGNCBMNKS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.590,254-568-1,39658-49-6,"Methyl tetrahydro-2,5-dimethoxyfuroate","methyl 2,5-dimethoxytetrahydrofuran-2-carboxylate",COC1CCC(OC)(O1)C(=O)OC,COC1CCC(OC)(O1)C(=O)OC,"InChI=1/C8H14O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h6H,4-5H2,1-3H3",C8H14O5,,,,,,YUDUYCUJCQMCCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.599,254-578-6,39668-79-6,Propyl N-[[5-methyl-2-(isopropyl)cyclohexyl]carbonyl]glycinate,propyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate,CCCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C,CCCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C16H29NO3/c1-5-8-20-15(18)10-17-16(19)14-9-12(4)6-7-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,17,19)",C16H29NO3,,,,,,NOHWSHIQJRPKOC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.604,254-583-3,39669-49-3,2-[[4-[bis(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid,2-({4-[bis(2-bromopropyl)amino]-2-methylphenyl}diazenyl)benzoic acid,BrC(C)CN(CC(Br)C)c2ccc(N=Nc1ccccc1C(O)=O)c(C)c2,BrC(C)CN(CC(Br)C)c2ccc(N=Nc1ccccc1C(O)=O)c(C)c2,"InChI=1/C20H23Br2N3O2/c1-13-10-16(25(11-14(2)21)12-15(3)22)8-9-18(13)23-24-19-7-5-4-6-17(19)20(26)27/h4-10,14-15H,11-12H2,1-3H3,(H,26,27)",C20H23Br2N3O2,,,,,,IUBPTOPNFAZJQA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.613,254-593-8,39687-95-1,Methyl isocyanoacetate,methyl isocyanoacetate,COC(=O)C[N+]#[C-],COC(=O)C[N+]#[C-],"InChI=1/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H3",C4H5NO2,,,,,,CRXFROMHHBMNAB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.614,254-594-3,39692-17-6,1-aminocyclohexane-1-carboxylic acid hydrochloride,1-aminocyclohexanecarboxylic acid hydrochloride,Cl.NC1(CCCCC1)C(=O)O,Cl.NC1(CCCCC1)C(=O)O,"InChI=1/C7H13NO2.ClH/c8-7(6(9)10)4-2-1-3-5-7;/h1-5,8H2,(H,9,10);1H",C7H13NO2.ClH,,,,,,GTKXSYHXQSKWNP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.616,254-596-4,39701-29-6,2-[(2-aminoethyl)[2-[(2-hydroxyethyl)amino]ethyl]amino]ethanol,2-({2-[(2-aminoethyl)(2-hydroxyethyl)amino]ethyl}amino)ethanol,NCCN(CCO)CCNCCO,NCCN(CCO)CCNCCO,"InChI=1/C8H21N3O2/c9-1-4-11(6-8-13)5-2-10-3-7-12/h10,12-13H,1-9H2",C8H21N3O2,,,,,,DGZKNRWILMSAAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.043,259-467-6,55067-10-2,"(1,4,5,6-tetrahydro-4,6-dioxopyrimidin-2-yl)cyanamide","(4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)cyanamide",O=C1CC(=O)N=C(NC#N)N1,O=C1CC(=O)N=C(NC#N)N1,"InChI=1/C5H4N4O2/c6-2-7-5-8-3(10)1-4(11)9-5/h1H2,(H2,7,8,9,10,11)",C5H4N4O2,,,,,,JCHNBNRIALLIDT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.049,259-473-9,55078-28-9,"Phosphoric acid, dodecyl ester, compd. with 2,2'-iminobis[ethanol]","dodecyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C12H27O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;6-3-1-5-2-4-7/h2-12H2,1H3,(H2,13,14,15);5-7H,1-4H2",-,,,,,,PHBJOLYKDWDQKF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.051,259-476-5,55088-52-3,2-phenylbutenal,2-phenylbut-2-enal,CC=C(C=O)c1ccccc1,CC=C(C=O)c1ccccc1,"InChI=1/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3",C10H10O,,,,,,DYAOGZLLMZQVHY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.056,259-481-2,55107-14-7,Methyl pivaloylacetate,"methyl 4,4-dimethyl-3-oxopentanoate",COC(=O)CC(=O)C(C)(C)C,COC(=O)CC(=O)C(C)(C)C,"InChI=1/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3",C8H14O3,,,,,,XTXCFTMJPRXBBC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.060,259-485-4,55112-94-2,"6-(7,8-dihydro-7-oxo-1,8-naphthyridin-2-yl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione","6-(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione",O=C1Nc2nc(ccc2C=C1)N3C(=O)c4nccnc4C3=O,O=C1Nc2nc(ccc2C=C1)N3C(=O)c4nccnc4C3=O,"InChI=1/C14H7N5O3/c20-9-4-2-7-1-3-8(17-12(7)18-9)19-13(21)10-11(14(19)22)16-6-5-15-10/h1-6H,(H,17,18,20)",C14H7N5O3,,,,,,SNHTYMYYIHSPLP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.080,259-508-8,55168-74-6,Methyl 2-(dimethoxyphosphinyl)acrylate,methyl 2-(dimethoxyphosphoryl)acrylate,COC(=O)C(=C)P(=O)(OC)OC,COC(=O)C(=C)P(=O)(OC)OC,"InChI=1/C6H11O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h1H2,2-4H3",C6H11O5P,,,,,,HRTGCDRCJQKACR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.753,252-544-5,35399-81-6,"1,2-dimethylbutylamine",3-methylpentan-2-amine,CCC(C)C(C)N,CCC(C)C(C)N,"InChI=1/C6H15N/c1-4-5(2)6(3)7/h5-6H,4,7H2,1-3H3",C6H15N,,,,,,ZFAGOADKDXXTSV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.754,252-545-0,35400-43-2,O-ethyl O-(4-methylthiophenyl) S-propyl dithiophosphate,O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate,CCCSP(=S)(OCC)Oc1ccc(SC)cc1,CCCSP(=S)(OCC)Oc1ccc(SC)cc1,"InChI=1/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3",C12H19O2PS3,,,,,,JXHJNEJVUNHLKO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.639,254-622-4,39770-04-2,Non-8-enal,non-8-enal,C=CCCCCCCC=O,C=CCCCCCCC=O,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h2,9H,1,3-8H2",C9H16O,,,,,,QPOZUISHEWOWQL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.641,254-625-0,39776-79-9,"[1S-(1a,2ß,3ß,5a)]-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate","2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate",CC1C(CC2CC1C2(C)C)OC(=O)C,CC1C(CC2CC1C2(C)C)OC(=O)C,"InChI=1/C12H20O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3",C12H20O2,,,,,,KKZUXVTWZQWUSI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.642,254-626-6,39776-80-2,"[1S-(1a,2ß,3a,5a)]-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate","2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate",CC1C(CC2CC1C2(C)C)OC(=O)C,CC1C(CC2CC1C2(C)C)OC(=O)C,"InChI=1/C12H20O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3",C12H20O2,,,,,,KKZUXVTWZQWUSI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.318,254-269-6,39067-80-6,"(E)-3,7-dimethylocta-2,6-diene-1-thiol","3,7-dimethylocta-2,6-diene-1-thiol",CC(=CCC\\C(=C\\CS)\\C)C,CC(=CCC\C(=C\CS)\C)C,"InChI=1/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3",C10H18S,,,,,,FACAUSJJVBMWLV-JXMROGBWSA-N,,,,,,,,,,,
100.049.324,254-275-9,39081-91-9,"2,5-dibromohexane-3,4-dione","2,5-dibromohexane-3,4-dione",CC(Br)C(=O)C(=O)C(C)Br,CC(Br)C(=O)C(=O)C(C)Br,"InChI=1/C6H8Br2O2/c1-3(7)5(9)6(10)4(2)8/h3-4H,1-2H3",C6H8Br2O2,,,,,,QISBUOBKMZFWRW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.327,254-279-0,39082-04-7,4-chloroacetoacetamide,4-chloro-3-oxobutanamide,NC(=O)CC(=O)CCl,NC(=O)CC(=O)CCl,"InChI=1/C4H6ClNO2/c5-2-3(7)1-4(6)8/h1-2H2,(H2,6,8)",C4H6ClNO2,,,,,,VCPNLOMAQUZMBY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.331,254-283-2,39086-61-8,2-chloro-N-ethylacetanilide,2-chloro-N-ethyl-N-phenylacetamide,CCN(C(=O)CCl)c1ccccc1,CCN(C(=O)CCl)c1ccccc1,"InChI=1/C10H12ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",C10H12ClNO,,,,,,JJZBASRBEGDLNO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.332,254-284-8,39087-48-4,Calcium clofibrate,calcium bis[2-(4-chlorophenoxy)-2-methylpropanoate],CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Ca]OC(=O)C(C)(C)Oc2ccc(Cl)cc2,CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Ca]OC(=O)C(C)(C)Oc2ccc(Cl)cc2,"InChI=1/2C10H11ClO3.Ca/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;/h2*3-6H,1-2H3,(H,12,13);/q;;+2/p-2",C10H11ClO3.1/2Ca,,,,,,IXCILCKRXAZYGP-UHFFFAOYSA-L,,,,,,,,,,,
100.049.333,254-285-3,39088-05-6,"1,2-dihydro-4,6-dimethyl-2-oxonicotinamide","4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide",CC1=CC(=C(C(=O)N)C(=O)N1)C,CC1=CC(=C(C(=O)N)C(=O)N1)C,"InChI=1/C8H10N2O2/c1-4-3-5(2)10-8(12)6(4)7(9)11/h3H,1-2H3,(H2,9,11)(H,10,12)",C8H10N2O2,,,,,,FVNMEZMALQNFNF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.334,254-286-9,39088-65-8,4-(mercaptomethyl)benzoic acid,4-(sulfanylmethyl)benzoic acid,OC(=O)c1ccc(CS)cc1,OC(=O)c1ccc(CS)cc1,"InChI=1/C8H8O2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H,9,10)",C8H8O2S,,,,,,KCTZYAAHUYSVON-UHFFFAOYSA-N,,,,,,,,,,,
100.049.336,254-289-5,39098-75-4,Cyclohexylpropionyl chloride,2-cyclohexylpropanoyl chloride,CC(C1CCCCC1)C(=O)Cl,CC(C1CCCCC1)C(=O)Cl,"InChI=1/C9H15ClO/c1-7(9(10)11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3",C9H15ClO,,,,,,PKMNGKFRWLFMOH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.337,254-290-0,39098-97-0,2-thienylacetyl chloride,2-thienylacetyl chloride,ClC(=O)Cc1cccs1,ClC(=O)Cc1cccs1,"InChI=1/C6H5ClOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2",C6H5ClOS,,,,,,AJYXPNIENRLELY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.338,254-291-6,39099-23-5,N-isopropylbutylamine,N-isopropylbutan-1-amine,CCCCNC(C)C,CCCCNC(C)C,"InChI=1/C7H17N/c1-4-5-6-8-7(2)3/h7-8H,4-6H2,1-3H3",C7H17N,,,,,,OKRJGUKZYSEUOY-UHFFFAOYSA-N,Positive,EQ359101|EQ359102|EQ359103|EQ359104|EQ359105|EQ359106|EQ359107|EQ359108|EQ359109,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,116.1434:74.0964:57.0699|116.1433:74.0964:57.0699|116.1433:74.0964:57.0699|74.0964:57.0699:116.1434|57.0699:74.0964:116.1434|57.0699:74.0964:53.0022|57.0699:53.0022:67.9893|53.0022:57.0699:67.9893|53.0022:53.9974:57.0699,Eawag,,,,,
100.049.339,254-292-1,39101-54-7,"(3,5-dimethylphenyl)acetonitrile","(3,5-dimethylphenyl)acetonitrile",Cc1cc(C)cc(CC#N)c1,Cc1cc(C)cc(CC#N)c1,"InChI=1/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3",C10H11N,,,,,,LMUKNQSVBFEUKR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.347,254-301-9,39118-50-8,Dimethyl (2-acetoxyethyl)phosphonate,2-(dimethoxyphosphoryl)ethyl acetate,COP(=O)(CCOC(=O)C)OC,COP(=O)(CCOC(=O)C)OC,"InChI=1/C6H13O5P/c1-6(7)11-4-5-12(8,9-2)10-3/h4-5H2,1-3H3",C6H13O5P,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6412,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.347,GRKZBWJKCYATKH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.250,258-593-9,53512-10-0,"4-hydroxy-1,5-naphthyridine-3-carboxylic acid","4-hydroxy-1,5-naphthyridine-3-carboxylic acid",OC(=O)c1cnc2cccnc2c1O,OC(=O)c1cnc2cccnc2c1O,"InChI=1/C9H6N2O3/c12-8-5(9(13)14)4-11-6-2-1-3-10-7(6)8/h1-4H,(H,11,12)(H,13,14)",C9H6N2O3,,,,,,LODIKMSUDZMCFF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.252,258-596-5,53517-95-6,"3-allyl-5,5-dimethyl-2-thioxoimidazolidin-4-one","3-allyl-5,5-dimethyl-2-thioxoimidazolidin-4-one",CC1(C)NC(=S)N(CC=C)C1=O,CC1(C)NC(=S)N(CC=C)C1=O,"InChI=1/C8H12N2OS/c1-4-5-10-6(11)8(2,3)9-7(10)12/h4H,1,5H2,2-3H3,(H,9,12)",C8H12N2OS,,,,,,SHWHBFYMRFDNDU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.259,258-603-1,53520-67-5,3-icosenylsuccinic anhydride,"3-icos-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCCCCCC,"InChI=1/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21-23(25)27-24(22)26/h19-20,22H,2-18,21H2,1H3",C24H42O3,,,,,,MFMJQHHDOHWGTL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.036,255-058-1,40736-26-3,1-(methylsulphonyl)-1H-imidazole,1-(methylsulfonyl)-1H-imidazole,CS(=O)(=O)n1ccnc1,CS(=O)(=O)n1ccnc1,"InChI=1/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3",C4H6N2O2S,,,,,,ZBHRCOWHFHJZFP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.043,255-066-5,40762-73-0,"2,2-bis[(oxiranylmethoxy)methyl]propane-1,3-diol","2,2-bis[(oxiran-2-ylmethoxy)methyl]propane-1,3-diol",OCC(CO)(COCC1CO1)COCC2CO2,OCC(CO)(COCC1CO1)COCC2CO2,"InChI=1/C11H20O6/c12-5-11(6-13,7-14-1-9-3-16-9)8-15-2-10-4-17-10/h9-10,12-13H,1-8H2",C11H20O6,,,,,,FGPFIXISGWXSCE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.047,255-070-7,40771-26-4,"1,2,3,4-tetrahydronaphthalene-1,5-diol","1,2,3,4-tetrahydronaphthalene-1,5-diol",OC1CCCc2c(O)cccc12,OC1CCCc2c(O)cccc12,"InChI=1/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,10-12H,2,4,6H2",C10H12O2,,,,,,MYIDTCFDQGAVFL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.052,255-075-4,40778-30-1,Ethyl 2-acetylnonan-1-oate,ethyl 2-acetylnonanoate,CCCCCCCC(C(=O)C)C(=O)OCC,CCCCCCCC(C(=O)C)C(=O)OCC,"InChI=1/C13H24O3/c1-4-6-7-8-9-10-12(11(3)14)13(15)16-5-2/h12H,4-10H2,1-3H3",C13H24O3,,,,,,QPFZUKLNMHJNCE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.055,255-079-6,40784-95-0,(4-isobutylphenyl)acetonitrile,(4-isobutylphenyl)acetonitrile,CC(C)Cc1ccc(CC#N)cc1,CC(C)Cc1ccc(CC#N)cc1,"InChI=1/C12H15N/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h3-6,10H,7,9H2,1-2H3",C12H15N,,,,,,INYXZKUEDMCFSU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.062,255-086-4,40797-39-5,Tetradodecylammonium iodide,"N,N,N-tridodecyldodecan-1-aminium iodide",[I-].CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC,[I-].CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/C48H100N.HI/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1",C48H100N.I,,,,,,OBMLOTDECOTAGU-UHFFFAOYSA-M,,,,,,,,,,,
100.050.068,255-093-2,40817-08-1,"4'-pentyl[1,1'-biphenyl]-4-carbonitrile",4'-pentylbiphenyl-4-carbonitrile,CCCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3",C18H19N,,,,,,HHPCNRKYVYWYAU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.069,255-094-8,40820-77-7,Trimethyl[2-[(methacryloyl)oxy]ethyl]ammonium toluene-p-sulphonate,"2-(methacryloyloxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate",CC(=C)C(=O)OCC[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-],CC(=C)C(=O)OCC[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C9H18NO2.C7H8O3S/c1-8(2)9(11)12-7-6-10(3,4)5;1-6-2-4-7(5-3-6)11(8,9)10/h1,6-7H2,2-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C9H18NO2.C7H7O3S,,,,,,KCWJQYMVIPERDS-UHFFFAOYSA-M,,,,,,,,,,,
100.053.388,258-747-5,53759-83-4,6'-N-acetylsisomicin,"4,6-diamino-2,3-dihydroxycyclohexyl 4-O-[6-(acetamidomethyl)-3-amino-3,4-dihydro-2H-pyran-2-yl]-3-deoxy-4-C-methyl-3-(methylamino)pentopyranoside",CNC1C(O)C(OC2C(N)CC(N)C(O)C2O)OCC1(C)OC3OC(=CCC3N)CNC(=O)C,CNC1C(O)C(OC2C(N)CC(N)C(O)C2O)OCC1(C)OC3OC(=CCC3N)CNC(=O)C,"InChI=1/C21H39N5O8/c1-9(27)26-7-10-4-5-11(22)19(32-10)34-21(2)8-31-20(16(30)18(21)25-3)33-17-13(24)6-12(23)14(28)15(17)29/h4,11-20,25,28-30H,5-8,22-24H2,1-3H3,(H,26,27)",C21H39N5O8,,,,,,MPHWRXDRITYEGT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.389,258-748-0,53760-27-3,"N-(4-aminophenyl)benzene-1,4-diamine sulphate (1:1)",-,Nc1ccc(Nc2ccc(N)cc2)cc1.[O-]S(=O)(=O)[O-],Nc1ccc(Nc2ccc(N)cc2)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C12H13N3.H2O4S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-5(2,3)4/h1-8,15H,13-14H2;(H2,1,2,3,4)/p-2",C12H13N3.H2O4S,,,,,,OOZQLPDAELLDNY-UHFFFAOYSA-L,,,,,,,,,,,
100.053.397,258-756-4,53772-82-0,(Z)-4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol,2-(4-{3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol,OCCN1CCN(CC\\C=C/2\\c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2",C23H25F3N2OS,,,,,,NJMYODHXAKYRHW-DVZOWYKESA-N,,,,,,,,,,,
100.053.399,258-759-0,53772-85-3,(E)-4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol,2-(4-{3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol,OCCN1CCN(CC\\C=C\\2/c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,OCCN1CCN(CC\C=C\2/c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2",C23H25F3N2OS,,,,,,NJMYODHXAKYRHW-BLLMUTORSA-N,,,,,,,,,,,
100.053.403,258-763-2,53778-73-7,1-methoxybutan-2-ol,1-methoxybutan-2-ol,CCC(O)COC,CCC(O)COC,"InChI=1/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3",C5H12O2,,,,,,CSZZMFWKAQEMPB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.408,258-769-5,53780-44-2,"1-chloro-2,3-difluoro-5-nitrobenzene","1-chloro-2,3-difluoro-5-nitrobenzene",[O-][N+](=O)c1cc(F)c(F)c(Cl)c1,[O-][N+](=O)c1cc(F)c(F)c(Cl)c1,InChI=1/C6H2ClF2NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,C6H2ClF2NO2,,,,,,BSKCLLCICPDISV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.409,258-770-0,53783-83-8,Tromantadine,N-adamantan-1-yl-2-[2-(dimethylamino)ethoxy]acetamide,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,"InChI=1/C16H28N2O2/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)",C16H28N2O2,,,,,,UXQDWARBDDDTKG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.688,254-676-9,39890-42-1,N-isopropyl-1-piperazineacetamide,N-isopropyl-2-piperazin-1-ylacetamide,CC(C)NC(=O)CN1CCNCC1,CC(C)NC(=O)CN1CCNCC1,"InChI=1/C9H19N3O/c1-8(2)11-9(13)7-12-5-3-10-4-6-12/h8,10H,3-7H2,1-2H3,(H,11,13)",C9H19N3O,,,,,,FFOHTSTWXWJGQR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.690,254-679-5,39890-46-5,1-(morpholinocarbonylmethyl)piperazine,4-(piperazin-1-ylacetyl)morpholine,O=C(CN1CCNCC1)N2CCOCC2,O=C(CN1CCNCC1)N2CCOCC2,"InChI=1/C10H19N3O2/c14-10(13-5-7-15-8-6-13)9-12-3-1-11-2-4-12/h11H,1-9H2",C10H19N3O2,,,,,,LISKJKUMLVQGKE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.359,254-315-5,39139-87-2,Tetrabutylammonium cyanate,"N,N,N-tributylbutan-1-aminium cyanate",CCCC[N+](CCCC)(CCCC)CCCC.[O-]C#N,CCCC[N+](CCCC)(CCCC)CCCC.[O-]C#N,"InChI=1/C16H36N.CHNO/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;3H/q+1;/p-1",C16H36N.CNO,,,,,,PEFQHPVDKJBRFF-UHFFFAOYSA-M,,,,,,,,,,,
100.049.367,254-323-9,39156-41-7,4-methoxy-m-phenylenediammonium sulphate,"4-methoxybenzene-1,3-diamine sulfate",COc1ccc(N)cc1N.OS(=O)(=O)O,COc1ccc(N)cc1N.OS(=O)(=O)O,"InChI=1/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)",C7H10N2O.H2O4S,,,,,,FDJQHYWUHGBBTO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.372,254-329-1,39166-57-9,"[1S-(1a,2a,3ß,5a)]-3,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate","2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate",CC1C(CC2CC1C2(C)C)OC(=O)C,CC1C(CC2CC1C2(C)C)OC(=O)C,"InChI=1/C12H20O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3",C12H20O2,,,,,,KKZUXVTWZQWUSI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.875,255-982-5,42872-30-0,2-(m-benzoylphenyl)propionitrile,2-(3-benzoylphenyl)propanenitrile,CC(C#N)c1cc(ccc1)C(=O)c2ccccc2,CC(C#N)c1cc(ccc1)C(=O)c2ccccc2,"InChI=1/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3",C16H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12298,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.875,RGYOCHMZSLUCNP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.876,255-983-0,42874-03-3,2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene,2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene,CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],"InChI=1/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3",C15H11ClF3NO4,,,,,,OQMBBFQZGJFLBU-UHFFFAOYSA-N,Positive,EQ317401|EQ317402|EQ317403|EQ317404|EQ317405|EQ317406,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,362.0401:315.9983:334.0088|237.0397:315.9983:273.9877|237.0396:203.0132:245.9929|237.0396:140.0494:210.0287|140.0494:182.0337:210.0287|140.0494:182.0338:132.0181,Eawag,,,,,
100.050.882,255-989-3,42887-24-1,"1,5-bis[(4-butylphenyl)amino]anthraquinone","1,5-bis[(4-butylphenyl)amino]-9,10-anthraquinone",CCCCc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(CCCC)cc5)cccc4C(=O)c23)cc1,CCCCc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(CCCC)cc5)cccc4C(=O)c23)cc1,"InChI=1/C34H34N2O2/c1-3-5-9-23-15-19-25(20-16-23)35-29-13-7-11-27-31(29)33(37)28-12-8-14-30(32(28)34(27)38)36-26-21-17-24(18-22-26)10-6-4-2/h7-8,11-22,35-36H,3-6,9-10H2,1-2H3",C34H34N2O2,,,,,,GRXYPNCZCDBAOC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.890,255-998-2,42908-86-1,2-(chloromethyl)benzoyl chloride,2-(chloromethyl)benzoyl chloride,ClCc1ccccc1C(=O)Cl,ClCc1ccccc1C(=O)Cl,"InChI=1/C8H6Cl2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2",C8H6Cl2O,,,,,,TXZFBHYDQGYOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.898,256-007-6,42933-14-2,Ethyl (Z)4-methyl-oct-3-enoate,ethyl 4-methyloct-3-enoate,CCCCC(=CCC(=O)OCC)C,CCCCC(=CCC(=O)OCC)C,"InChI=1/C11H20O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h8H,4-7,9H2,1-3H3",C11H20O2,,,,,,XHNOQRNNBVTOCM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.901,256-010-2,42935-00-2,"Dodecyl (9Z,12Z)-octadeca-9,12-dienoate","dodecyl octadeca-9,12-dienoate",CCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C30H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17H,3-10,12,14-15,18-29H2,1-2H3",C30H56O2,,,,,,YEVRRNZSZWIYCX-BIXSNLIQSA-N,,,,,,,,,,,
100.050.903,256-012-3,42940-00-1,"N,N'-(iminodiethane-2,1-diyl)bishexadecan-1-amide","N,N'-(iminodiethane-2,1-diyl)dihexadecanamide",CCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCC,"InChI=1/C36H73N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)38-33-31-37-32-34-39-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-34H2,1-2H3,(H,38,40)(H,39,41)",C36H73N3O2,,,,,,XRZBZKOCTDSGGS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.293,258-641-9,53583-79-2,Sultopride,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide,CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC,CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC,"InChI=1/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)",C17H26N2O4S,,,,,,UNRHXEPDKXPRTM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.311,258-661-8,53608-93-8,Diethyl 2-cyclopenten-1-ylmalonate,diethyl cyclopent-2-en-1-ylmalonate,CCOC(=O)C(C1CCC=C1)C(=O)OCC,CCOC(=O)C(C1CCC=C1)C(=O)OCC,"InChI=1/C12H18O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h5,7,9-10H,3-4,6,8H2,1-2H3",C12H18O4,,,,,,UAZCLBJEBNSEDV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.755,252-546-6,35400-55-6,5-amino-4-hydroxynaphthalene-2-sulphonic acid,5-amino-4-hydroxynaphthalene-2-sulfonic acid,Nc1cccc2cc(cc(O)c12)S(=O)(=O)O,Nc1cccc2cc(cc(O)c12)S(=O)(=O)O,"InChI=1/C10H9NO4S/c11-8-3-1-2-6-4-7(16(13,14)15)5-9(12)10(6)8/h1-5,12H,11H2,(H,13,14,15)",C10H9NO4S,,,,,,CFZAOQASYGKUBO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.758,252-549-2,35410-28-7,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate","11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl methanesulfonate",C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)C,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)C,"InChI=1/C22H30O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h6,8,10,15-17,19,24,26H,4-5,7,9,11-12H2,1-3H3",C22H30O7S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12452,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.758,TZEYKLAAPSZABE-CWNVBEKCSA-N,,,,,,,,,,,
100.047.775,252-568-6,35444-20-3,Potassium ethyl trithiocarbonate,potassium ethyl trithiocarbonate,[K+].CCSC(=S)[S-],[K+].CCSC(=S)[S-],"InChI=1/C3H6S3.K/c1-2-6-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1",C3H6S3.K,,,,,,LYBYDGJWQLTRAI-UHFFFAOYSA-M,,,,,,,,,,,
100.047.782,252-575-4,35453-19-1,"5-amino-2,4,6-triiodoisophthalic acid","5-amino-2,4,6-triiodoisophthalic acid",Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I,Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I,"InChI=1/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)",C8H4I3NO4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5239,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.782,JEZJSNULLBSYHV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.789,252-583-8,35468-97-4,Hept-1-enyl acetate,hept-1-en-1-yl acetate,CC(=O)OC=CCCCCC,CC(=O)OC=CCCCCC,"InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h7-8H,3-6H2,1-2H3",C9H16O2,,,,,,JMFFUDMJDZXYCT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.956,254-970-7,40550-16-1,Isooctyl stearate,6-methylheptyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C,CCCCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C,"InChI=1/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(27)28-24-21-18-19-22-25(2)3/h25H,4-24H2,1-3H3",C26H52O2,,,,,,SJIDAAGFCNIAJP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.958,254-972-8,40550-18-3,"Tetrahydro-2,6-dioxo-2H-pyran-3-propionic acid","3-(2,6-dioxotetrahydro-2H-pyran-3-yl)propanoic acid",OC(=O)CCC1CCC(=O)OC1=O,OC(=O)CCC1CCC(=O)OC1=O,"InChI=1/C8H10O5/c9-6(10)3-1-5-2-4-7(11)13-8(5)12/h5H,1-4H2,(H,9,10)",C8H10O5,,,,,,RKHVYUINAFDGOB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.960,254-974-9,40564-00-9,"1,1-diethoxynon-2-ene","1,1-diethoxynon-2-ene",CCOC(C=CCCCCCC)OCC,CCOC(C=CCCCCCC)OCC,"InChI=1/C13H26O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h11-13H,4-10H2,1-3H3",C13H26O2,,,,,,MUWPHRMERVXBEL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.963,254-978-0,40567-16-6,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl chloride",CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Cl,CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Cl,"InChI=1/C20H31ClO2/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3",C20H31ClO2,,,,,,WHZZJRDDIPKYMV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.964,254-979-6,40567-18-8,"3-amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide","3-amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide",Nc1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl,Nc1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl,"InChI=1/C16H11Cl3N4O2/c17-9-5-11(18)15(12(19)6-9)23-14(24)7-13(22-23)21-16(25)8-2-1-3-10(20)4-8/h1-6H,7,20H2,(H,21,22,25)",C16H11Cl3N4O2,,,,,,FFSCMMOUQKDVKY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.966,254-981-7,40581-96-2,"Sodium 2,3,6-trichlorophenolate","sodium 2,3,6-trichlorophenolate",[Na+].[O-]c1c(Cl)ccc(Cl)c1Cl,[Na+].[O-]c1c(Cl)ccc(Cl)c1Cl,"InChI=1/C6H3Cl3O.Na/c7-3-1-2-4(8)6(10)5(3)9;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.Na,,,,,,QPFGLNBLPQWZQB-UHFFFAOYSA-M,,,,,,,,,,,
100.049.972,254-988-5,40590-42-9,"4,6-bis(1-phenylethyl)-o-cresol","2-methyl-4,6-bis(1-phenylethyl)phenol",CC(c1ccccc1)c2cc(C)c(O)c(c2)C(C)c3ccccc3,CC(c1ccccc1)c2cc(C)c(O)c(c2)C(C)c3ccccc3,"InChI=1/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)15-22(23(16)24)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3",C23H24O,,,,,,HTOURGWUDSSDPU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.618,254-599-0,39711-79-0,N-ethyl-2-(isopropyl)-5-methylcyclohexanecarboxamide,N-ethyl-2-isopropyl-5-methylcyclohexanecarboxamide,CCNC(=O)C1CC(C)CCC1C(C)C,CCNC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)",C13H25NO,,,,,,VUNOFAIHSALQQH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.623,254-605-1,39718-97-3,Methyl 2-(4-aminophenyl)propionate,methyl 2-(4-aminophenyl)propanoate,COC(=O)C(C)c1ccc(N)cc1,COC(=O)C(C)c1ccc(N)cc1,"InChI=1/C10H13NO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3",C10H13NO2,,,,,,JSQLPIGKVBUMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.133,256-264-4,46365-05-3,"4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulphonic acid","4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid",CC1(C)C2CCC1(C)C(=O)C2S(=O)(=O)O,CC1(C)C2CCC1(C)C(=O)C2S(=O)(=O)O,"InChI=1/C10H16O4S/c1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h6-7H,4-5H2,1-3H3,(H,12,13,14)",C10H16O4S,,,,,,LKTRVKICUSKZGA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.261,258-605-2,53523-90-3,"Tetralithium 5,5'-[vinylenebis[(3-sulphonato-4,1-phenylene)azo]]bis[3-methylsalicylate]",tetralithium 5-{[4-(2-{4-[(2-carboxylato-4-hydroxy-6-methylphenyl)diazenyl]-2-sulfonatophenyl}vinyl)-3-sulfonatophenyl]diazenyl}-2-hydroxy-3-methylbenzoate,[Li]OC(=O)c1cc(cc(C)c1O)N=Nc2ccc(C=Cc3ccc(cc3S(=O)(=O)O[Li])N=Nc4c(C)cc(O)cc4C(=O)O[Li])c(c2)S(=O)(=O)O[Li],[Li]OC(=O)c1cc(cc(C)c1O)N=Nc2ccc(C=Cc3ccc(cc3S(=O)(=O)O[Li])N=Nc4c(C)cc(O)cc4C(=O)O[Li])c(c2)S(=O)(=O)O[Li],"InChI=1/C30H24N4O12S2.4Li/c1-15-10-22(35)14-23(29(37)38)27(15)34-32-20-8-6-18(26(13-20)48(44,45)46)4-3-17-5-7-19(12-25(17)47(41,42)43)31-33-21-9-16(2)28(36)24(11-21)30(39)40;;;;/h3-14,35-36H,1-2H3,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4/rC30H22Li2N4O12S2.2Li/c1-15-10-22(37)14-23(29(39)40)27(15)36-34-20-8-6-18(26(13-20)50(45,46)48-32)4-3-17-5-7-19(12-25(17)49(43,44)47-31)33-35-21-9-16(2)28(38)24(11-21)30(41)42;;/h3-14,37-38H,1-2H3,(H,39,40)(H,41,42);;/q;2*+1/p-2",C30H24N4O12S2.4Li,,,,,,JVMCOVLSSFCDRA-UHFFFAOYSA-J,,,,,,,,,,,
100.053.268,258-614-1,53535-08-3,Sodium 4-bromobutane-1-sulphonate,sodium 4-bromobutane-1-sulfonate,[Na+].[O-]S(=O)(=O)CCCCBr,[Na+].[O-]S(=O)(=O)CCCCBr,"InChI=1/C4H9BrO3S.Na/c5-3-1-2-4-9(6,7)8;/h1-4H2,(H,6,7,8);/q;+1/p-1",C4H9BrO3S.Na,,,,,,HBHUSBUGXYZABF-UHFFFAOYSA-M,,,,,,,,,,,
100.053.271,258-617-8,53542-36-2,2-[(3-fluorophenyl)thio]-5-(trifluoromethyl)benzoic acid,2-[(3-fluorophenyl)sulfanyl]-5-(trifluoromethyl)benzoic acid,OC(=O)c1cc(ccc1Sc2cccc(F)c2)C(F)(F)F,OC(=O)c1cc(ccc1Sc2cccc(F)c2)C(F)(F)F,"InChI=1/C14H8F4O2S/c15-9-2-1-3-10(7-9)21-12-5-4-8(14(16,17)18)6-11(12)13(19)20/h1-7H,(H,19,20)",C14H8F4O2S,,,,,,JADNZDIOGGBXLP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.272,258-618-3,53542-37-3,6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one,6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one,Fc1ccc2C(=O)c3cc(ccc3Sc2c1)C(F)(F)F,Fc1ccc2C(=O)c3cc(ccc3Sc2c1)C(F)(F)F,"InChI=1/C14H6F4OS/c15-8-2-3-9-12(6-8)20-11-4-1-7(14(16,17)18)5-10(11)13(9)19/h1-6H",C14H6F4OS,,,,,,ZDGGCIXEWFPFAH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.277,258-624-6,53554-75-9,Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate,methyl 3-{4-[bis(2-acetoxyethyl)amino]-2-methylphenyl}-2-cyanoacrylate,COC(=O)\\C(=C\\c1ccc(cc1C)N(CCOC(=O)C)CCOC(=O)C)\\C#N,COC(=O)\C(=C\c1ccc(cc1C)N(CCOC(=O)C)CCOC(=O)C)\C#N,"InChI=1/C20H24N2O6/c1-14-11-19(6-5-17(14)12-18(13-21)20(25)26-4)22(7-9-27-15(2)23)8-10-28-16(3)24/h5-6,11-12H,7-10H2,1-4H3",C20H24N2O6,,,,,,IJSRGFRRTNHCNS-LDADJPATSA-N,,,,,,,,,,,
100.053.289,258-637-7,53578-90-8,Calcium bis(dibutylnaphthalenesulphonate),"calcium bis(2,3-dibutylnaphthalene-1-sulfonate)",[Ca+2].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-].CCCCc3cc4ccccc4c(c3CCCC)S(=O)(=O)[O-],[Ca+2].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-].CCCCc3cc4ccccc4c(c3CCCC)S(=O)(=O)[O-],"InChI=1/2C18H24O3S.Ca/c2*1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;/h2*7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;;+2/p-2",C18H24O3S.1/2Ca,,,,,,NXHMWWDZTHYFNR-UHFFFAOYSA-L,,,,,,,,,,,
100.052.797,258-096-7,52682-86-7,"Ethanol, 2,2'-iminobis-, phosphate (ester)",2-[(2-hydroxyethyl)amino]ethyl phosphate,OCCNCCOP(=O)([O-])[O-],OCCNCCOP(=O)([O-])[O-],"InChI=1/C4H12NO5P/c6-3-1-5-2-4-10-11(7,8)9/h5-6H,1-4H2,(H2,7,8,9)/p-2",-,,,,,,MKDOCSPHVLXLJA-UHFFFAOYSA-L,,,,,,,,,,,
100.052.807,258-107-5,52693-87-5,p-methylbenzaldehyde hydrazone,(4-methylbenzylidene)hydrazine,Cc1ccc(\\C=N\\N)cc1,Cc1ccc(\C=N\N)cc1,"InChI=1/C8H10N2/c1-7-2-4-8(5-3-7)6-10-9/h2-6H,9H2,1H3",C8H10N2,,,,,,FKBDDHSIGSGNOM-UXBLZVDNSA-N,,,,,,,,,,,
100.052.812,258-112-2,52701-72-1,Sucrose trioleate,"3-O-oleoyl-beta-D-fructofuranosyl 2,3-di-O-oleoyl-alpha-D-glucopyranoside",CCCCCCCC\\C=C/CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@@H]1OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@@H]1OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C66H118O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(70)76-62-60(73)55(52-67)75-65(63(62)77-58(71)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)80-66(54-69)64(61(74)56(53-68)79-66)78-59(72)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,55-56,60-65,67-69,73-74H,4-24,31-54H2,1-3H3",C66H118O14,,,,,,OWPUQRWFRFKAKG-WVKZOJLMSA-N,,,,,,,,,,,
100.052.813,258-113-8,52704-29-7,"5-oxo-L-proline, compound with ethane-1,2-diamine (2:1)","5-oxo-L-proline - ethane-1,2-diamine (2:1)",NCCN.OC(=O)[C@@H]1CCC(=O)N1.OC(=O)[C@@H]2CCC(=O)N2,NCCN.OC(=O)[C@@H]1CCC(=O)N1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.C2H8N2/c2*7-4-2-1-3(6-4)5(8)9;3-1-2-4/h2*3H,1-2H2,(H,6,7)(H,8,9);1-4H2",C5H7NO3.1/2C2H8N2,,,,,,PNSIWMBERZYGOD-QHTZZOMLSA-N,,,,,,,,,,,
100.052.816,258-116-4,52705-43-8,a-hydroxybenzylphosphinic acid,[hydroxy(phenyl)methyl]phosphinic acid,OC(c1ccccc1)P(=O)O,OC(c1ccccc1)P(=O)O,"InChI=1/C7H9O3P/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,9,10)",C7H9O3P,,,,,,DPQYARCVTAMMLE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.818,258-119-0,52709-83-8,"4'-butyl[1,1'-biphenyl]-4-carbonitrile",4'-butylbiphenyl-4-carbonitrile,CCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3",C17H17N,,,,,,PJPLBHHDTUICNN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.410,258-771-6,53786-28-0,"5-chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one","5-chloro-1-piperidin-4-yl-1,3-dihydro-2H-benzimidazol-2-one",Clc1ccc2N(C3CCNCC3)C(=O)Nc2c1,Clc1ccc2N(C3CCNCC3)C(=O)Nc2c1,"InChI=1/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)",C12H14ClN3O,,,,,,DOAYWDKFDPSTSV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.411,258-772-1,53786-42-8,Ethyl 4-(hydroxyimino)piperidine-1-carboxylate,ethyl 4-(hydroxyimino)piperidine-1-carboxylate,CCOC(=O)N1CCC(=NO)CC1,CCOC(=O)N1CCC(=NO)CC1,"InChI=1/C8H14N2O3/c1-2-13-8(11)10-5-3-7(9-12)4-6-10/h12H,2-6H2,1H3",C8H14N2O3,,,,,,IJZQTCJAGLIWQW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.417,258-778-4,53788-22-0,"6-(5-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino[2,3-c]pyrrol-5-yl 4-methylpiperazine-1-carboxylate","6-(5-chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methylpiperazine-1-carboxylate",CN1CCN(CC1)C(=O)OC2N(C(=O)C3=C2SCCS3)c4ccc5c(Cl)ccnc5n4,CN1CCN(CC1)C(=O)OC2N(C(=O)C3=C2SCCS3)c4ccc5c(Cl)ccnc5n4,"InChI=1/C20H20ClN5O3S2/c1-24-6-8-25(9-7-24)20(28)29-19-16-15(30-10-11-31-16)18(27)26(19)14-3-2-12-13(21)4-5-22-17(12)23-14/h2-5,19H,6-11H2,1H3",C20H20ClN5O3S2,,,,,,OIAAFSAXPFVVDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.418,258-780-5,53788-25-3,"6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-hydroxy-5H-1,4-dithiino[2,3-c]pyrrol-5-one","6-(7-chloro-1,8-naphthyridin-2-yl)-7-hydroxy-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-one",OC1N(C(=O)C2=C1SCCS2)c3ccc4ccc(Cl)nc4n3,OC1N(C(=O)C2=C1SCCS2)c3ccc4ccc(Cl)nc4n3,"InChI=1/C14H10ClN3O2S2/c15-8-3-1-7-2-4-9(17-12(7)16-8)18-13(19)10-11(14(18)20)22-6-5-21-10/h1-4,13,19H,5-6H2",C14H10ClN3O2S2,,,,,,HLFLVOTUGOGGMC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.420,258-782-6,53792-62-4,"6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzimidazolium methyl sulphate","6-chloro-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazol-1-ium methyl sulfate",[O-]S(=O)(=O)OC.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C,[O-]S(=O)(=O)OC.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C,"InChI=1/C20H23ClN6.CH4O4S/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;1-5-6(2,3)4/h6-9,12-13H,4-5,11,14H2,1-3H3;1H3,(H,2,3,4)",C20H22ClN6.CH3O4S,,,,,,NAQPNUFDGNDNHK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.823,253-724-6,37936-41-7,"2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid","6-methyl-2-{4-[(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonic acid",O=C4NC(=O)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S(O)(=O)=O,O=C4NC(=O)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S(O)(=O)=O,"InChI=1/C18H13N5O6S2/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26)",C18H13N5O6S2,,,,,,APIDSQKETXQPQW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.829,253-730-9,37953-05-2,Cumenesulphonic acid,2-isopropylbenzenesulfonic acid,CC(C)c1ccccc1S(=O)(=O)O,CC(C)c1ccccc1S(=O)(=O)O,"InChI=1/C9H12O3S/c1-7(2)8-5-3-4-6-9(8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)",C9H12O3S,,,,,,JBVOQKNLGSOPNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.831,253-733-5,37971-36-1,"2-phosphonobutane-1,2,4-tricarboxylic acid","2-phosphonobutane-1,2,4-tricarboxylic acid",OC(=O)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O,OC(=O)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O,"InChI=1/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)",C7H11O9P,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14870,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.831,SZHQPBJEOCHCKM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.833,253-735-6,37973-51-6,(E)-2-phenylpropenyl acetate,2-phenylprop-1-en-1-yl acetate,CC(=O)O\\C=C(/C)\\c1ccccc1,CC(=O)O\C=C(/C)\c1ccccc1,"InChI=1/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3",C11H12O2,,,,,,CLCGEEANBAUENX-CMDGGOBGSA-N,,,,,,,,,,,
100.048.834,253-736-1,37973-52-7,(Z)-2-phenylpropenyl acetate,2-phenylprop-1-en-1-yl acetate,CC(=O)O\\C=C(\\C)/c1ccccc1,CC(=O)O\C=C(\C)/c1ccccc1,"InChI=1/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3",C11H12O2,,,,,,CLCGEEANBAUENX-HJWRWDBZSA-N,,,,,,,,,,,
100.048.841,253-744-5,38005-82-2,"Indan-1,5-diol","indane-1,5-diol",OC1CCc2cc(O)ccc12,OC1CCc2cc(O)ccc12,"InChI=1/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9-11H,1,4H2",C9H10O2,,,,,,XCJWKDZITVFRQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.842,253-745-0,38006-74-5,[3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]trimethylammonium chloride,"3-{[(heptadecafluorooctyl)sulfonyl]amino}-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H16F17N2O2S.ClH/c1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;/h32H,4-6H2,1-3H3;1H/q+1;/p-1",C14H16F17N2O2S.Cl,,,,,,BIJMEXQJDYBHGD-UHFFFAOYSA-M,,,,,,,,,,,
100.048.845,253-748-7,38020-81-4,Iodoacetyl chloride,iodoacetyl chloride,ClC(=O)CI,ClC(=O)CI,InChI=1/C2H2ClIO/c3-2(5)1-4/h1H2,C2H2ClIO,,,,,,BSVMPWANOMFSPR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.313,258-663-9,53611-17-9,Disodium 8-hydroxy-7-[(4-sulphonato-1-naphthyl)azo]quinoline-5-sulphonate,disodium 8-hydroxy-7-[(4-sulfonato-1-naphthyl)diazenyl]quinoline-5-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1cc(c2cccnc2c1O)S([O-])(=O)=O)c3ccccc34,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1cc(c2cccnc2c1O)S([O-])(=O)=O)c3ccccc34,"InChI=1/C19H13N3O7S2.2Na/c23-19-15(10-17(31(27,28)29)13-6-3-9-20-18(13)19)22-21-14-7-8-16(30(24,25)26)12-5-2-1-4-11(12)14;;/h1-10,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C19H13N3O7S2.2Na,,,,,,GYRHOVMZMGPIER-UHFFFAOYSA-L,,,,,,,,,,,
100.053.316,258-667-0,53620-55-6,"N,N'-[ethylenebis(iminoethylene)]distearamide monoacetate","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]dioctadecanamide acetate",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C42H86N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h43-44H,3-40H2,1-2H3,(H,45,47)(H,46,48);1H3,(H,3,4)",C42H86N4O2.C2H4O2,,,,,,JMNRZPJMNXPBCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.322,258-673-3,53632-09-0,"2,2-bis[(allyloxy)methyl]butyl hydrogen maleate","4-{2,2-bis[(allyloxy)methyl]butoxy}-4-oxobut-2-enoic acid",CCC(COCC=C)(COCC=C)COC(=O)\\C=C/C(=O)O,CCC(COCC=C)(COCC=C)COC(=O)\C=C/C(=O)O,"InChI=1/C16H24O6/c1-4-9-20-11-16(6-3,12-21-10-5-2)13-22-15(19)8-7-14(17)18/h4-5,7-8H,1-2,6,9-13H2,3H3,(H,17,18)",C16H24O6,,,,,,UFCISMKNGKHPKI-FPLPWBNLSA-N,,,,,,,,,,,
100.053.323,258-674-9,53632-65-8,"Tris(2-ethoxyethanolato-O,O')aluminium",aluminum tris(2-ethoxyethanolate),CCOCCO[Al](OCCOCC)OCCOCC,CCOCCO[Al](OCCOCC)OCCOCC,"InChI=1/3C4H9O2.Al/c3*1-2-6-4-3-5;/h3*2-4H2,1H3;/q3*-1;+3/rC12H27AlO6/c1-4-14-7-10-17-13(18-11-8-15-5-2)19-12-9-16-6-3/h4-12H2,1-3H3",C12H27AlO6,,,,,,GUZZRKYIWINGPA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.330,258-682-2,53643-48-4,Vindesine,"methyl 9-(3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl)-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate",CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)N)C1,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)N)C1,"InChI=1/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)",C43H55N5O7,,,,,,HHJUWIANJFBDHT-KOTLKJBCSA-N,,,,,,,,,,,
100.053.331,258-683-8,53648-05-8,Ibuproxam,N-hydroxy-2-(4-isobutylphenyl)propanamide,CC(C)Cc1ccc(cc1)C(C)C(=O)NO,CC(C)Cc1ccc(cc1)C(C)C(=O)NO,"InChI=1/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)",C13H19NO2,,,,,,BYPIURIATSUHDW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.847,258-151-5,52744-26-0,Propyl 4-hydroxy-3-methoxyphenylacetate,propyl (4-hydroxy-3-methoxyphenyl)acetate,CCCOC(=O)Cc1ccc(O)c(OC)c1,CCCOC(=O)Cc1ccc(O)c(OC)c1,"InChI=1/C12H16O4/c1-3-6-16-12(14)8-9-4-5-10(13)11(7-9)15-2/h4-5,7,13H,3,6,8H2,1-2H3",C12H16O4,,,,,,SYEBQVUZYCJAEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.864,258-169-3,52779-57-4,Diethyl methyl[4-(2-thienylcarbonyl)phenyl]malonate,diethyl methyl[4-(2-thienylcarbonyl)phenyl]malonate,CCOC(=O)C(C)(C(=O)OCC)c1ccc(cc1)C(=O)c2cccs2,CCOC(=O)C(C)(C(=O)OCC)c1ccc(cc1)C(=O)c2cccs2,"InChI=1/C19H20O5S/c1-4-23-17(21)19(3,18(22)24-5-2)14-10-8-13(9-11-14)16(20)15-7-6-12-25-15/h6-12H,4-5H2,1-3H3",C19H20O5S,,,,,,RSUSQCKVKWHQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.865,258-170-9,52779-81-4,4-ethylphenyl 2-thienyl ketone,(4-ethylphenyl)(2-thienyl)methanone,CCc1ccc(cc1)C(=O)c2cccs2,CCc1ccc(cc1)C(=O)c2cccs2,"InChI=1/C13H12OS/c1-2-10-5-7-11(8-6-10)13(14)12-4-3-9-15-12/h3-9H,2H2,1H3",C13H12OS,,,,,,GODQIIKZEJTEPS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.866,258-171-4,52779-83-6,[4-(1-bromoethyl)phenyl]-2-thienyl ketone,bis{3-[4-(1-bromoethyl)phenyl]-2-thienyl}methanone,CC(Br)c1ccc(cc1)c2ccsc2C(=O)c3sccc3c4ccc(cc4)C(C)Br,CC(Br)c1ccc(cc1)c2ccsc2C(=O)c3sccc3c4ccc(cc4)C(C)Br,"InChI=1/C25H20Br2OS2/c1-15(26)17-3-7-19(8-4-17)21-11-13-29-24(21)23(28)25-22(12-14-30-25)20-9-5-18(6-10-20)16(2)27/h3-16H,1-2H3",C13H11BrOS,,,,,,JRQJMRALKCMYNN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.869,258-175-6,52780-12-8,(S)-2-[4-(thien-2-ylcarbonyl)phenyl]butyric acid,2-[4-(2-thienylcarbonyl)phenyl]butanoic acid,CC[C@H](C(=O)O)c1ccc(cc1)C(=O)c2cccs2,CC[C@H](C(=O)O)c1ccc(cc1)C(=O)c2cccs2,"InChI=1/C15H14O3S/c1-2-12(15(17)18)10-5-7-11(8-6-10)14(16)13-4-3-9-19-13/h3-9,12H,2H2,1H3,(H,17,18)",C14H12O3S,,,,,,XSSMMNDGAZJDIQ-LBPRGKRZSA-N,,,,,,,,,,,
100.052.870,258-176-1,52780-13-9,(R)-(thien-2-ylcarbonyl)propionic acid,2-methyl-3-oxo-3-(2-thienyl)propanoic acid,C[C@@H](C(=O)O)C(=O)c1cccs1,C[C@@H](C(=O)O)C(=O)c1cccs1,"InChI=1/C8H8O3S/c1-5(8(10)11)7(9)6-3-2-4-12-6/h2-5H,1H3,(H,10,11)",C14H12O3S,,,,,,MSAKIUWZXWJSRV-RXMQYKEDSA-N,,,,,,,,,,,
100.052.874,258-180-3,52788-71-3,Ethyl 3-p-tolyloxirane-2-carboxylate,ethyl 3-(4-methylphenyl)oxirane-2-carboxylate,CCOC(=O)C1OC1c2ccc(C)cc2,CCOC(=O)C1OC1c2ccc(C)cc2,"InChI=1/C12H14O3/c1-3-14-12(13)11-10(15-11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3",C12H14O3,,,,,,UMSHXRVBYUKRDF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.878,252-682-6,35697-16-6,"cis-5,6,7,8-tetrahydronaphthalene-1,6,7-triol","5,6,7,8-tetrahydronaphthalene-1,6,7-triol",O[C@@H]1Cc2c(O)cccc2C[C@@H]1O,O[C@@H]1Cc2c(O)cccc2C[C@@H]1O,"InChI=1/C10H12O3/c11-8-3-1-2-6-4-9(12)10(13)5-7(6)8/h1-3,9-13H,4-5H2",C10H12O3,,,,,,AUKZSCHMOAPNEN-VHSXEESVSA-N,,,,,,,,,,,
100.051.150,256-283-8,46830-22-2,Benzyldimethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"2-(acryloyloxy)-N-benzyl-N,N-dimethylethanaminium chloride",[Cl-].C[N+](C)(CCOC(=O)C=C)Cc1ccccc1,[Cl-].C[N+](C)(CCOC(=O)C=C)Cc1ccccc1,"InChI=1/C14H20NO2.ClH/c1-4-14(16)17-11-10-15(2,3)12-13-8-6-5-7-9-13;/h4-9H,1,10-12H2,2-3H3;1H/q+1;/p-1",C14H20NO2.Cl,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11058,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.150,ZGCZDEVLEULNLJ-UHFFFAOYSA-M,,,,,,,,,,,
100.051.156,256-290-6,46989-59-7,(R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetic acid,[(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetic acid,CCOC(=O)C=C(C)N[C@@H](C(O)=O)c1ccccc1,CCOC(=O)C=C(C)N[C@@H](C(O)=O)c1ccccc1,"InChI=1/C14H17NO4/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11/h4-9,13,15H,3H2,1-2H3,(H,17,18)",C14H17NO4,,,,,,SDGOHFKMDLYFMZ-CYBMUJFWSA-N,,,,,,,,,,,
100.051.157,256-291-1,47003-30-5,"4,4'-methylenebis[2-(methylthio)aniline]","4,4'-methylenebis[2-(methylsulfanyl)aniline]",CSc1cc(Cc2ccc(N)c(SC)c2)ccc1N,CSc1cc(Cc2ccc(N)c(SC)c2)ccc1N,"InChI=1/C15H18N2S2/c1-18-14-8-10(3-5-12(14)16)7-11-4-6-13(17)15(9-11)19-2/h3-6,8-9H,7,16-17H2,1-2H3",C15H18N2S2,,,,,,XRKGCGRPZUUQRR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.159,256-293-2,47034-01-5,Benzyldiethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"N-benzyl-N,N-diethyl-2-(methacryloyloxy)ethanaminium chloride",[Cl-].CC[N+](CC)(CCOC(=O)C(=C)C)Cc1ccccc1,[Cl-].CC[N+](CC)(CCOC(=O)C(=C)C)Cc1ccccc1,"InChI=1/C17H26NO2.ClH/c1-5-18(6-2,12-13-20-17(19)15(3)4)14-16-10-8-7-9-11-16;/h7-11H,3,5-6,12-14H2,1-2,4H3;1H/q+1;/p-1",C17H26NO2.Cl,,,,,,SWOABGONEVOQBC-UHFFFAOYSA-M,,,,,,,,,,,
100.051.160,256-294-8,47083-56-7,"3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium","3-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium",CCN(CC)c1ccc(cc1)N=N\\C2=N\\[NH+](C)CN2C,CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C,"InChI=1/C14H22N6/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3/h7-10H,5-6,11H2,1-4H3/p+1",C14H21N6,,,,,,GSYGZZDGCVNSIQ-UHFFFAOYSA-O,,,,,,,,,,,
100.054.091,259-520-3,55194-05-3,sec-hexyl laurate,1-methylpentyl laurate,CCCCCCCCCCCC(=O)OC(C)CCCC,CCCCCCCCCCCC(=O)OC(C)CCCC,"InChI=1/C18H36O2/c1-4-6-8-9-10-11-12-13-14-16-18(19)20-17(3)15-7-5-2/h17H,4-16H2,1-3H3",C18H36O2,,,,,,HKJSIRGFHAJVGR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.094,259-524-5,55195-24-9,sec-butyl decanoate,sec-butyl decanoate,CCCCCCCCCC(=O)OC(C)CC,CCCCCCCCCC(=O)OC(C)CC,"InChI=1/C14H28O2/c1-4-6-7-8-9-10-11-12-14(15)16-13(3)5-2/h13H,4-12H2,1-3H3",C14H28O2,,,,,,JZLKBEXSDCSXQH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.100,259-530-8,55203-60-6,3-methylbutan-2-one [4-(phenylsulphonyl)phenyl]hydrazone,"1-(1,2-dimethylpropylidene)-2-[4-(phenylsulfonyl)phenyl]hydrazine",O=S(=O)(c1ccc(NN=C(C)C(C)C)cc1)c2ccccc2,O=S(=O)(c1ccc(NN=C(C)C(C)C)cc1)c2ccccc2,"InChI=1/C17H20N2O2S/c1-13(2)14(3)18-19-15-9-11-17(12-10-15)22(20,21)16-7-5-4-6-8-16/h4-13,19H,1-3H3",C17H20N2O2S,,,,,,YNWHKQATCFUTIK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.102,259-532-9,55203-76-4,"4-[[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulphonyl)-2H-indol-2-ylidene]ethylidene]-3-phenyl-4H-isoxazol-5-one","4-{2-[1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}-3-phenylisoxazol-5(4H)-one",O=S(=O)(c1ccccc1)c2cc5c(cc2)N(CC)C(=CC=C4C(=O)O\\N=C4\\c3ccccc3)C5(C)C,O=S(=O)(c1ccccc1)c2cc5c(cc2)N(CC)C(=CC=C4C(=O)O\N=C4\c3ccccc3)C5(C)C,"InChI=1/C29H26N2O4S/c1-4-31-25-17-15-22(36(33,34)21-13-9-6-10-14-21)19-24(25)29(2,3)26(31)18-16-23-27(30-35-28(23)32)20-11-7-5-8-12-20/h5-19H,4H2,1-3H3",C29H26N2O4S,,,,,,VTOYKNCNUVPKGD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.110,259-541-8,55231-64-6,Pentakis(bromomethyl)benzene,"1,2,3,4,5-pentakis(bromomethyl)benzene",BrCc1cc(CBr)c(CBr)c(CBr)c1CBr,BrCc1cc(CBr)c(CBr)c(CBr)c1CBr,"InChI=1/C11H11Br5/c12-2-7-1-8(3-13)10(5-15)11(6-16)9(7)4-14/h1H,2-6H2",C11H11Br5,,,,,,IVNSAUPBGDNDGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.119,259-551-2,55250-85-6,"2-[[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]amino]ethanol","2-{[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]amino}ethanol",OCCNc1nc(OCC=C)nc(OCC=C)n1,OCCNc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C11H16N4O3/c1-3-7-17-10-13-9(12-5-6-16)14-11(15-10)18-8-4-2/h3-4,16H,1-2,5-8H2,(H,12,13,14,15)",C11H16N4O3,,,,,,ANNMVJZJFWYKHV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.125,252-953-9,36294-24-3,"Ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate","ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate",CCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C19H30O3/c1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7/h11-12,21H,8-10H2,1-7H3",C19H30O3,,,,,,ZCWSUZJGZZFSHM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.127,252-956-5,36297-89-9,Bis(4-nitrophenyl) diselenide,bis(4-nitrophenyl)diselane,[O-][N+](=O)c1ccc([Se][Se]c2ccc(cc2)[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc([Se][Se]c2ccc(cc2)[N+](=O)[O-])cc1,InChI=1/C12H8N2O4Se2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,C12H8N2O4Se2,,,,,,UFEQMIYVPBYCQI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.128,252-957-0,36301-29-8,o-isobutyltoluene,1-isobutyl-2-methylbenzene,CC(C)Cc1ccccc1C,CC(C)Cc1ccccc1C,"InChI=1/C11H16/c1-9(2)8-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3",C11H16,,,,,,XNMPJDZAHSMAMN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.820,258-121-1,52709-85-0,"4'-nonyl[1,1'-biphenyl]-4-carbonitrile",4'-nonylbiphenyl-4-carbonitrile,CCCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C22H27N/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9H2,1H3",C22H27N,,,,,,REDSMJNHKIHBTE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.824,258-125-3,52716-17-3,Butyl (4-chlorophenoxy)acetate,butyl (4-chlorophenoxy)acetate,CCCCOC(=O)COc1ccc(Cl)cc1,CCCCOC(=O)COc1ccc(Cl)cc1,"InChI=1/C12H15ClO3/c1-2-3-8-15-12(14)9-16-11-6-4-10(13)5-7-11/h4-7H,2-3,8-9H2,1H3",C12H15ClO3,,,,,,GZKDUBJVOZXJOU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.826,258-127-4,52718-76-0,1-butyl-4-methylnaphthalene,1-butyl-4-methylnaphthalene,CCCCc1ccc(C)c2ccccc12,CCCCc1ccc(C)c2ccccc12,"InChI=1/C15H18/c1-3-4-7-13-11-10-12(2)14-8-5-6-9-15(13)14/h5-6,8-11H,3-4,7H2,1-2H3",C15H18,,,,,,ZWRABTBXVLAGFC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.832,258-134-2,52723-61-2,Zinc fumarate (1:1),zinc but-2-enedioate,[Zn].[O-]C(=O)\\C=C\\C(=O)[O-],[Zn].[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.Zn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2",C4H4O4.Zn,,,,,,PKMTWMDBJHRDBM-TYYBGVCCSA-L,,,,,,,,,,,
100.052.836,258-138-4,52729-53-0,"Rhodium(3+) 2,6,6-trimethylbicyclo[3.1.1]heptanethiolate","rhodium(3+) tris(2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate)",[Rh+3].CC1CCC2CC1([S-])C2(C)C.CC3CCC4CC3([S-])C4(C)C.CC5CCC6CC5([S-])C6(C)C,[Rh+3].CC1CCC2CC1([S-])C2(C)C.CC3CCC4CC3([S-])C4(C)C.CC5CCC6CC5([S-])C6(C)C,"InChI=1/3C10H18S.Rh/c3*1-7-4-5-8-6-10(7,11)9(8,2)3;/h3*7-8,11H,4-6H2,1-3H3;/q;;;+3/p-3",C10H18S.1/3Rh,,,,,,JJRRHTYRBCETGK-UHFFFAOYSA-K,,,,,,,,,,,
100.049.653,254-638-1,39807-19-7,"3-(2,4-dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one","5-tert-butyl-3-(2,4-dichloro-5-hydroxyphenyl)-1,3,4-oxadiazol-2(3H)-one",CC(C)(C)C1=NN(C(=O)O1)c2cc(O)c(Cl)cc2Cl,CC(C)(C)C1=NN(C(=O)O1)c2cc(O)c(Cl)cc2Cl,"InChI=1/C12H12Cl2N2O3/c1-12(2,3)10-15-16(11(18)19-10)8-5-9(17)7(14)4-6(8)13/h4-5,17H,1-3H3",C12H12Cl2N2O3,,,,,,YQENSQLEOLRRBD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.654,254-639-7,39811-17-1,5-phenyl-o-anisidine,4-methoxybiphenyl-3-amine,COc1ccc(cc1N)c2ccccc2,COc1ccc(cc1N)c2ccccc2,"InChI=1/C13H13NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,14H2,1H3",C13H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12289,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.654,DTYBRSLINXBXMP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.663,254-649-1,39833-65-3,1-(chloromethyl)-3-vinylbenzene,1-(chloromethyl)-3-vinylbenzene,ClCc1cccc(C=C)c1,ClCc1cccc(C=C)c1,"InChI=1/C9H9Cl/c1-2-8-4-3-5-9(6-8)7-10/h2-6H,1,7H2",C9H9Cl,,,,,,HMDQPBSDHHTRNI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.666,254-652-8,39846-66-7,2-hydroxyheptyl acetate,2-hydroxyheptyl acetate,CCCCCC(O)COC(=O)C,CCCCCC(O)COC(=O)C,"InChI=1/C9H18O3/c1-3-4-5-6-9(11)7-12-8(2)10/h9,11H,3-7H2,1-2H3",C9H18O3,,,,,,BABJHQSZOPRXRG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.668,254-654-9,39850-66-3,"(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acetaldehyde","(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acetaldehyde",CC1(C)C2CCC(C2)C1CC=O,CC1(C)C2CCC(C2)C1CC=O,"InChI=1/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h6,8-10H,3-5,7H2,1-2H3",C11H18O,,,,,,ZIIKSEQIKREAGR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.669,254-655-4,39850-91-4,"2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthol","6-isopropylidene-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol",CC1CC(O)C=C2CCC(=C(C)C)CC12C,CC1CC(O)C=C2CCC(=C(C)C)CC12C,"InChI=1/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11,14,16H,5-7,9H2,1-4H3",C15H24O,,,,,,OKGZNXMPKYHFRT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.687,254-675-3,39888-70-5,Didodecylbenzene,"1,2-didodecylbenzene",CCCCCCCCCCCCc1ccccc1CCCCCCCCCCCC,CCCCCCCCCCCCc1ccccc1CCCCCCCCCCCC,"InChI=1/C30H54/c1-3-5-7-9-11-13-15-17-19-21-25-29-27-23-24-28-30(29)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3",C30H54,,,,,,WJECKFZULSWXPN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.360,254-316-0,39145-47-6,1-(4-chlorophenoxy)-2-nitrobenzene,1-(4-chlorophenoxy)-2-nitrobenzene,[O-][N+](=O)c1ccccc1Oc2ccc(Cl)cc2,[O-][N+](=O)c1ccccc1Oc2ccc(Cl)cc2,InChI=1/C12H8ClNO3/c13-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)14(15)16/h1-8H,C12H8ClNO3,,,,,,KVYVAGCVKWBOBS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.366,254-322-3,39151-19-4,"1-(3,5-dimethoxyphenyl)ethan-1-one","1-(3,5-dimethoxyphenyl)ethanone",COc1cc(OC)cc(c1)C(=O)C,COc1cc(OC)cc(c1)C(=O)C,"InChI=1/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3",C10H12O3,,,,,,YJKHOUIVWKQRSL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.368,254-324-4,39156-67-7,"7(S),20(R)-dihydroxy-16(R)-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13(E)-diene-1,23-dione","16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione",CC1CCCC(O)CCC(=O)OC23C(C=CC1)C(O)C(=C)C(C)C2C(Cc4ccccc4)NC3=O,CC1CCCC(O)CCC(=O)OC23C(C=CC1)C(O)C(=C)C(C)C2C(Cc4ccccc4)NC3=O,"InChI=1/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)",C29H39NO5,,,,,,WIULKAASLBZREV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.369,254-326-5,39156-80-4,Thulium(3+) acetate,thulium triacetate,[Tm+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Tm+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Tm/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Tm,,,,,,SNMVVAHJCCXTQR-UHFFFAOYSA-K,,,,,,,,,,,
100.048.854,253-758-1,38050-71-4,9-methoxy-9-borabicyclo[3.3.1]nonane,9-methoxy-9-borabicyclo[3.3.1]nonane,COB1C2CCCC1CCC2,COB1C2CCCC1CCC2,"InChI=1/C9H17BO/c1-11-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3",C9H17BO,,,,,,UNGDGQYONLTNJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.861,253-766-5,38056-88-1,2-acryloyloxyethyl 2-hydroxyethyl phthalate,2-(acryloyloxy)ethyl 2-hydroxyethyl phthalate,OCCOC(=O)c1ccccc1C(=O)OCCOC(=O)C=C,OCCOC(=O)c1ccccc1C(=O)OCCOC(=O)C=C,"InChI=1/C15H16O7/c1-2-13(17)20-9-10-22-15(19)12-6-4-3-5-11(12)14(18)21-8-7-16/h2-6,16H,1,7-10H2",C15H16O7,,,,,,OEURXIFGOPBMJF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.168,257-403-1,51770-80-0,"Naphthalene-2,6-disulphonic acid, sodium salt",sodium 6-sulfonaphthalene-2-sulfonate,[Na+].OS(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-],[Na+].OS(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.Na/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+1/p-1",C10H8O6S2.xNa,,,,,,KIGTZFJYHJWZRL-UHFFFAOYSA-M,,,,,,,,,,,
100.052.171,257-406-8,51772-35-1,"N-[(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine","N-[2-(1,1,3,3-tetramethylbutyl)phenyl]naphthalen-1-amine",CC(C)(C)CC(C)(C)c1ccccc1Nc2cccc3ccccc23,CC(C)(C)CC(C)(C)c1ccccc1Nc2cccc3ccccc23,"InChI=1/C24H29N/c1-23(2,3)17-24(4,5)20-14-8-9-15-22(20)25-21-16-10-12-18-11-6-7-13-19(18)21/h6-16,25H,17H2,1-5H3",C24H29N,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10948,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.171,XFDOJPZNTFKNCS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.172,257-407-3,51772-85-1,3-[tris(acetoxy)silyl]propyl methacrylate,3-(triacetoxysilyl)propyl methacrylate,CC(=O)O[Si](CCCOC(=O)C(=C)C)(OC(=O)C)OC(=O)C,CC(=O)O[Si](CCCOC(=O)C(=C)C)(OC(=O)C)OC(=O)C,"InChI=1/C13H20O8Si/c1-9(2)13(17)18-7-6-8-22(19-10(3)14,20-11(4)15)21-12(5)16/h1,6-8H2,2-5H3",C13H20O8Si,,,,,,MLOKHANBEXWBKS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.173,257-408-9,51773-47-8,"[2S-[2a(E),3ß]]-2-[2-(3,4-dihydro-6-methoxy-1(2H)-naphthylidene)ethyl]-2-ethyl-3-hydroxycyclopentan-1-one","2-ethyl-3-hydroxy-2-[2-(6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl]cyclopentanone",CCC1(CC=C2CCCc3cc(OC)ccc23)C(O)CCC1=O,CCC1(CC=C2CCCc3cc(OC)ccc23)C(O)CCC1=O,"InChI=1/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3",C20H26O3,,,,,,ZXYHLOFRRMDJAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.174,257-409-4,51773-49-0,"[2R-[2a(E),3ß]]-2-[2-(3,4-dihydro-6-methoxy-1(2H)-naphthylidene)ethyl]-2-ethyl-3-hydroxycyclopentan-1-one","2-ethyl-3-hydroxy-2-[2-(6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl]cyclopentanone",CCC1(CC=C2CCCc3cc(OC)ccc23)C(O)CCC1=O,CCC1(CC=C2CCCc3cc(OC)ccc23)C(O)CCC1=O,"InChI=1/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3",C20H26O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17129,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.174,ZXYHLOFRRMDJAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.179,257-415-7,51781-21-6,"5-[3-[(tert-butyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2-quinolone monohydrochloride","5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinolin-2(1H)-one hydrochloride",Cl.CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12,Cl.CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12,"InChI=1/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H",C16H24N2O3.ClH,,,,,,FYBXRCFPOTXTJF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.180,257-416-2,51783-76-7,L-histidine monohydrobromide,D-histidine hydrobromide,Br.N[C@@H](Cc1c[nH]cn1)C(=O)O,Br.N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.BrH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H",C6H9N3O2.BrH,,,,,,RVYRILWYWNKBGI-JEDNCBNOSA-N,,,,,,,,,,,
100.052.181,257-417-8,51787-75-8,"4,4'-dinitrobiphenyl-2-ylamine","4,4'-dinitrobiphenyl-2-amine",Nc1cc(ccc1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],Nc1cc(ccc1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H9N3O4/c13-12-7-10(15(18)19)5-6-11(12)8-1-3-9(4-2-8)14(16)17/h1-7H,13H2",C12H9N3O4,,,,,,FRZPYFUNNLIMEC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.182,257-418-3,51787-77-0,"Ethyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate","ethyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate",CCOC(=O)N1CCC2(CC1)OCCO2,CCOC(=O)N1CCC2(CC1)OCCO2,"InChI=1/C10H17NO4/c1-2-13-9(12)11-5-3-10(4-6-11)14-7-8-15-10/h2-8H2,1H3",C10H17NO4,,,,,,MZUDIFKBLVBMPD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.187,257-424-6,51793-51-2,Octahydro-2H-cyclopentapyrimidine-2-thione,"4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidine-2-thiol",SC1=NC2CCCC2CN1,SC1=NC2CCCC2CN1,"InChI=1/C7H12N2S/c10-7-8-4-5-2-1-3-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)",C7H12N2S,,,,,,LTPWXPXNKXNETK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.193,257-430-9,51800-99-8,"(1R)-3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)C(F)(F)C(F)(F)F,CC1(C)C2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3",C14H15F7O2,,,,,,PEWOESYEGLBLNR-OGIFLDNPSA-N,,,,,,,,,,,
100.052.194,257-431-4,51803-78-2,Nimesulide,N-(4-nitro-2-phenoxyphenyl)methanesulfonamide,CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-],CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-],"InChI=1/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3",C13H12N2O5S,,,,,,HYWYRSMBCFDLJT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.879,252-683-1,35697-44-0,"2,6-bis[2-(dimethylamino)ethoxy]anthraquinone dihydrochloride","2,6-bis[2-(dimethylamino)ethoxy]-9,10-anthraquinone dihydrochloride",Cl.Cl.CN(C)CCOc1ccc2C(=O)c3cc(OCCN(C)C)ccc3C(=O)c2c1,Cl.Cl.CN(C)CCOc1ccc2C(=O)c3cc(OCCN(C)C)ccc3C(=O)c2c1,"InChI=1/C22H26N2O4.2ClH/c1-23(2)9-11-27-15-5-7-17-19(13-15)21(25)18-8-6-16(14-20(18)22(17)26)28-12-10-24(3)4;;/h5-8,13-14H,9-12H2,1-4H3;2*1H",C22H26N2O4.2ClH,,,,,,LTBMUOPERCPWON-UHFFFAOYSA-N,,,,,,,,,,,
100.047.880,252-684-7,35703-32-3,Cinametic acid,3-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acrylic acid,COc1cc(ccc1OCCO)C=CC(O)=O,COc1cc(ccc1OCCO)C=CC(O)=O,"InChI=1/C12H14O5/c1-16-11-8-9(3-5-12(14)15)2-4-10(11)17-7-6-13/h2-5,8,13H,6-7H2,1H3,(H,14,15)",C12H14O5,,,,,,YNUMZJCKFQVSRH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.706,254-696-8,39905-57-2,4-hexyloxyaniline,4-(hexyloxy)aniline,CCCCCCOc1ccc(N)cc1,CCCCCCOc1ccc(N)cc1,"InChI=1/C12H19NO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10,13H2,1H3",C12H19NO,,,,,,DJRKHTCUXRGYEU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.707,254-697-3,39907-68-1,Dopamantine,"N-[2-(3,4-dihydroxyphenyl)ethyl]adamantane-1-carboxamide",Oc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1O,Oc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1O,"InChI=1/C19H25NO3/c21-16-2-1-12(8-17(16)22)3-4-20-18(23)19-9-13-5-14(10-19)7-15(6-13)11-19/h1-2,8,13-15,21-22H,3-7,9-11H2,(H,20,23)",C19H25NO3,,,,,,ZWKFENYDXISLGK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.713,254-703-4,39924-40-8,"Ethyl (2E,4Z)-undeca-2,4-dienoate","ethyl undeca-2,4-dienoate",CCCCCC\\C=C/C=C/C(=O)OCC,CCCCCC\C=C/C=C/C(=O)OCC,"InChI=1/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h9-12H,3-8H2,1-2H3",C13H22O2,,,,,,GKZHQLHOAZNYIW-XAZJVICWSA-N,,,,,,,,,,,
100.049.716,254-707-6,39931-77-6,Ethyl 3-pyridylacetate,ethyl pyridin-3-ylacetate,CCOC(=O)Cc1cccnc1,CCOC(=O)Cc1cccnc1,"InChI=1/C9H11NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3",C9H11NO2,,,,,,RPWXYCRIAGBAGY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.717,254-708-1,39935-03-0,Hydrazinium sulphamate,diazanium sulfamate,N[NH3+].NS(=O)(=O)[O-],N[NH3+].NS(=O)(=O)[O-],"InChI=1/H4N2.H3NO3S/c1-2;1-5(2,3)4/h1-2H2;(H3,1,2,3,4)",H4N2.H3NO3S,,,,,,HSXWNLKTKLBOBR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.723,254-714-4,39951-80-9,"N,N'-[[5-(benzothiazol-2-yl)-4-hydroxy-1,3-phenylene]bis(methylene)]bisphthalimide","2,2'-{[5-(1,3-benzothiazol-2-yl)-4-hydroxy-1,3-phenylene]bis(methylene)}bis(1H-isoindole-1,3(2H)-dione)",Oc1c(CN2C(=O)c3ccccc3C2=O)cc(CN4C(=O)c5ccccc5C4=O)cc1c6nc7ccccc7s6,Oc1c(CN2C(=O)c3ccccc3C2=O)cc(CN4C(=O)c5ccccc5C4=O)cc1c6nc7ccccc7s6,"InChI=1/C31H19N3O5S/c35-26-18(16-34-30(38)21-9-3-4-10-22(21)31(34)39)13-17(14-23(26)27-32-24-11-5-6-12-25(24)40-27)15-33-28(36)19-7-1-2-8-20(19)29(33)37/h1-14,35H,15-16H2",C31H19N3O5S,,,,,,XSHSFYWQOREZSK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.911,256-021-2,42961-68-2,"2'-cyclohexylamino-6'-diethylaminospiro[isobenzofuran-(3H),9'[9H]xanthene]-3-one","2'-(cyclohexylamino)-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(NC4CCCCC4)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3ccc(NC4CCCCC4)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C30H32N2O3/c1-3-32(4-2)22-15-16-25-28(19-22)34-27-17-14-21(31-20-10-6-5-7-11-20)18-26(27)30(25)24-13-9-8-12-23(24)29(33)35-30/h8-9,12-20,31H,3-7,10-11H2,1-2H3",C30H32N2O3,,,,,,SJULYDGVHRSHBP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.912,256-022-8,42965-55-9,"5,6-diaminopyrimidine-2,4-diol sulphate","5,6-diaminopyrimidine-2,4-diol sulfate (salt)",Nc1nc(O)nc(O)c1N.OS(=O)(=O)O,Nc1nc(O)nc(O)c1N.OS(=O)(=O)O,"InChI=1/C4H6N4O2.H2O4S/c5-1-2(6)7-4(10)8-3(1)9;1-5(2,3)4/h5H2,(H4,6,7,8,9,10);(H2,1,2,3,4)",C4H6N4O2.H2O4S,,,,,,IKARJSDZQCSEJX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.913,256-023-3,42965-91-3,N-benzyl-N'-[3-(trimethoxysilyl)propyl]ethylenediamine monohydrochloride,"N-benzyl-N'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine hydrochloride",Cl.CO[Si](CCCNCCNCc1ccccc1)(OC)OC,Cl.CO[Si](CCCNCCNCc1ccccc1)(OC)OC,"InChI=1/C15H28N2O3Si.ClH/c1-18-21(19-2,20-3)13-7-10-16-11-12-17-14-15-8-5-4-6-9-15;/h4-6,8-9,16-17H,7,10-14H2,1-3H3;1H",C15H28N2O3Si.ClH,,,,,,HOSQZKZVJBFALN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.916,256-027-5,42967-55-5,Potassium methyl terephthalate,potassium 4-(methoxycarbonyl)benzoate,[K+].COC(=O)c1ccc(cc1)C(=O)[O-],[K+].COC(=O)c1ccc(cc1)C(=O)[O-],"InChI=1/C9H8O4.K/c1-13-9(12)7-4-2-6(3-5-7)8(10)11;/h2-5H,1H3,(H,10,11);/q;+1/p-1",C9H8O4.K,,,,,,DWNDFZTVSFSFTB-UHFFFAOYSA-M,,,,,,,,,,,
100.050.919,256-030-1,42975-18-8,Sodium 4-(phenylazo)benzenesulphonate,sodium 4-(phenyldiazenyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1ccccc1)cc2,[Na+].[O-]S(=O)(=O)c2ccc(N=Nc1ccccc1)cc2,"InChI=1/C12H10N2O3S.Na/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10;/h1-9H,(H,15,16,17);/q;+1/p-1",C12H10N2O3S.Na,,,,,,IGAOPIACQUBHLS-UHFFFAOYSA-M,,,,,,,,,,,
100.048.130,252-959-1,36305-05-2,4-anilino-2-methoxybenzenediazonium hydrogen sulphate,4-anilino-2-methoxybenzenediazonium hydrogen sulfate,COc1cc(Nc2ccccc2)ccc1[N+]#N.[O-]S(=O)(=O)[O-],COc1cc(Nc2ccccc2)ccc1[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/C13H12N3O.H2O4S/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-5(2,3)4/h2-9,15H,1H3;(H2,1,2,3,4)/q+1;/p-2",C13H12N3O.HO4S,,,,,,HBDLDBQEQKQUPI-UHFFFAOYSA-L,,,,,,,,,,,
100.047.809,252-606-1,35518-76-4,2-ethylundecanal,2-ethylundecanal,CCCCCCCCCC(CC)C=O,CCCCCCCCCC(CC)C=O,"InChI=1/C13H26O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h12-13H,3-11H2,1-2H3",C13H26O,,,,,,PPJRQOPBVSCJCN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.814,252-611-9,35543-24-9,"1-[3-(2,4,6-trimethoxybenzoyl)propyl]pyrrolidinium chloride","1-[4-oxo-4-(2,4,6-trimethoxyphenyl)butyl]pyrrolidinium chloride",[Cl-].COc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1,[Cl-].COc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1,"InChI=1/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H",C17H25NO4.ClH,,,,,,ZDPACSAHMZADFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.821,252-619-2,35562-87-9,Ethyl 2-[(2-hydroxyethyl)thio]propionate,ethyl 2-[(2-hydroxyethyl)sulfanyl]propanoate,CCOC(=O)C(C)SCCO,CCOC(=O)C(C)SCCO,"InChI=1/C7H14O3S/c1-3-10-7(9)6(2)11-5-4-8/h6,8H,3-5H2,1-2H3",C7H14O3S,,,,,,CNXOKKYZFAWZRM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.823,252-621-3,35567-30-7,N-(3-aminopropyl)stearamide,N-(3-aminopropyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCN,CCCCCCCCCCCCCCCCCC(=O)NCCCN,"InChI=1/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22/h2-20,22H2,1H3,(H,23,24)",C21H44N2O,,,,,,YTJWICLLALFBPN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.826,252-625-5,35574-16-4,3-ethyl-2-[2-methyl-3-[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-5-phenylbenzoxazolium,"3-{2-[3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-en-1-ylidene]-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate",CC[n+]3c4cc(ccc4oc3C=C(C)C=C2Sc1ccccc1N2CCCS([O-])(=O)=O)c5ccccc5,CC[n+]3c4cc(ccc4oc3C=C(C)C=C2Sc1ccccc1N2CCCS([O-])(=O)=O)c5ccccc5,"InChI=1/C29H28N2O4S2/c1-3-30-25-20-23(22-10-5-4-6-11-22)14-15-26(25)35-28(30)18-21(2)19-29-31(16-9-17-37(32,33)34)24-12-7-8-13-27(24)36-29/h4-8,10-15,18-20H,3,9,16-17H2,1-2H3",C29H28N2O4S2,,,,,,VJWNCYZOZWZRNV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.827,252-626-0,35575-96-3,"S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate","S-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate",COP(=O)(OC)SCN1C(=O)Oc2cc(Cl)cnc12,COP(=O)(OC)SCN1C(=O)Oc2cc(Cl)cnc12,"InChI=1/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3",C9H10ClN2O5PS,,,,,,VNKBTWQZTQIWDV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.837,252-637-0,35602-69-8,Cholest-5-en-3-ß-yl stearate,cholest-5-en-3-yl stearate,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C,"InChI=1/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3",C45H80O2,,,,,,XHRPOTDGOASDJS-XNTGVSEISA-N,,,,,,,,,,,
100.047.840,252-640-7,35607-36-4,"1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid monohydrochloride","1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochloride",Cl.OC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4,Cl.OC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4,"InChI=1/C28H28N2O2.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H",C28H28N2O2.ClH,,,,,,VMIZTXDGZPTKIK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.841,252-641-2,35607-66-0,Cefoxitin,3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N,CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N,"InChI=1/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)",C16H17N3O7S2,,,,,,WZOZEZRFJCJXNZ-ZBFHGGJFSA-N,,,,,,,,,,,
100.049.993,255-011-5,40630-61-3,"Heptadecafluoro-N,N-bis(2-hydroxyethyl)octanesulphonamide","1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide",OCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H10F17NO4S/c13-5(14,7(17,18)9(21,22)11(25,26)27)6(15,16)8(19,20)10(23,24)12(28,29)35(33,34)30(1-3-31)2-4-32/h31-32H,1-4H2",C12H10F17NO4S,,,,,,SSTHBHCRNGPPAI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.994,255-012-0,40630-63-5,1-octanesulphonyl fluoride,octane-1-sulfonyl fluoride,CCCCCCCCS(=O)(=O)F,CCCCCCCCS(=O)(=O)F,"InChI=1/C8H17FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3",C8H17FO2S,,,,,,HMRWGKIZOBXNRB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.501,256-670-1,50636-22-1,Ethyl o-ethoxycinnamate,ethyl 3-(2-ethoxyphenyl)acrylate,CCOC(=O)\\C=C\\c1ccccc1OCC,CCOC(=O)\C=C\c1ccccc1OCC,"InChI=1/C13H16O3/c1-3-15-12-8-6-5-7-11(12)9-10-13(14)16-4-2/h5-10H,3-4H2,1-2H3",C13H16O3,,,,,,WJRLRVSUBGIUGI-MDZDMXLPSA-N,,,,,,,,,,,
100.049.374,254-331-2,39178-35-3,Pyridine-4-carbonyl chloride,isonicotinoyl chloride,ClC(=O)c1ccncc1,ClC(=O)c1ccncc1,InChI=1/C6H4ClNO/c7-6(9)5-1-3-8-4-2-5/h1-4H,C6H4ClNO.ClH,,,,,,RVQZKNOMKUSGCI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.879,255-986-7,42880-17-1,3-ethyl-2-[2-(N-phenylacetamido)vinyl]benzoxazolium p-toluenesulphonate,"2-{2-[acetyl(phenyl)amino]vinyl}-3-ethyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",CC[n+]1c(oc2ccccc12)\\C=C\\N(C(=O)C)c3ccccc3.Cc4ccc(cc4)S(=O)(=O)[O-],CC[n+]1c(oc2ccccc12)\C=C\N(C(=O)C)c3ccccc3.Cc4ccc(cc4)S(=O)(=O)[O-],"InChI=1/C19H19N2O2.C7H8O3S/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C19H19N2O2.C7H7O3S,,,,,,CFVFENXFMHXVDS-UHFFFAOYSA-M,,,,,,,,,,,
100.050.881,255-988-8,42885-14-3,5-methylnicotinonitrile,5-methylnicotinonitrile,Cc1cncc(c1)C#N,Cc1cncc(c1)C#N,"InChI=1/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H3",C7H6N2,,,,,,VDWQWOXVBXURMT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.883,255-990-9,42887-26-3,1-[(4-dodecylphenyl)amino]anthraquinone,"1-[(4-dodecylphenyl)amino]-9,10-anthraquinone",CCCCCCCCCCCCc1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1,CCCCCCCCCCCCc1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C32H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-24-20-22-25(23-21-24)33-29-19-14-18-28-30(29)32(35)27-17-13-12-16-26(27)31(28)34/h12-14,16-23,33H,2-11,15H2,1H3",C32H37NO2,,,,,,CXBWUYBJZCGEOL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.889,255-997-7,42908-15-6,"2-ethylhexyl 3,5-diamino-4-methylbenzoate","2-ethylhexyl 3,5-diamino-4-methylbenzoate",CCCCC(CC)COC(=O)c1cc(N)c(C)c(N)c1,CCCCC(CC)COC(=O)c1cc(N)c(C)c(N)c1,"InChI=1/C16H26N2O2/c1-4-6-7-12(5-2)10-20-16(19)13-8-14(17)11(3)15(18)9-13/h8-9,12H,4-7,10,17-18H2,1-3H3",C16H26N2O2,,,,,,IUSWWMQKWNMRSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.893,256-001-3,42919-64-2,4-(methylthio)butyraldehyde,4-(methylsulfanyl)butanal,CSCCCC=O,CSCCCC=O,"InChI=1/C5H10OS/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3",C5H10OS,,,,,,RZBUXNXJKZHGLL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.894,256-002-9,42922-74-7,Sucrose octanoate,3-O-octanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside,CCCCCCCC(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,CCCCCCCC(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO,"InChI=1/C20H36O12/c1-2-3-4-5-6-7-13(24)30-18-15(26)12(9-22)31-20(18,10-23)32-19-17(28)16(27)14(25)11(8-21)29-19/h11-12,14-19,21-23,25-28H,2-10H2,1H3",C20H36O12,,,,,,NQNJAPFIRPKTAS-OASARBKBSA-N,,,,,,,,,,,
100.050.896,256-005-5,42928-85-8,1-methylheptyl acrylate,1-methylheptyl acrylate,CCCCCCC(C)OC(=O)C=C,CCCCCCC(C)OC(=O)C=C,"InChI=1/C11H20O2/c1-4-6-7-8-9-10(3)13-11(12)5-2/h5,10H,2,4,6-9H2,1,3H3",C11H20O2,,,,,,PKCKEGFHGRMLNH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.299,258-648-7,53585-52-7,N-[2-[(2-hydroxyethyl)amino]ethyl]octadecenamide monoacetate,N-{2-[(2-hydroxyethyl)amino]ethyl}octadec-2-enamide acetate (salt),O=C(NCCNCCO)C=CCCCCCCCCCCCCCCC.CC(O)=O,O=C(NCCNCCO)C=CCCCCCCCCCCCCCCC.CC(O)=O,"InChI=1/C22H44N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h16-17,23,25H,2-15,18-21H2,1H3,(H,24,26);1H3,(H,3,4)",C22H44N2O2.C2H4O2,,,,,,RWTAEAJYWFSUHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.303,258-652-9,53588-93-5,Methyl 3-acetoxyacrylate,methyl 3-acetoxyacrylate,COC(=O)\\C=C\\OC(=O)C,COC(=O)\C=C\OC(=O)C,"InChI=1/C6H8O4/c1-5(7)10-4-3-6(8)9-2/h3-4H,1-2H3",C6H8O4,,,,,,MSQPGECJSAMXBT-ONEGZZNKSA-N,,,,,,,,,,,
100.053.306,258-656-0,53595-56-5,Isodecyl hydrogen adipate,6-[(8-methylnonyl)oxy]-6-oxohexanoic acid,CC(C)CCCCCCCOC(=O)CCCCC(=O)O,CC(C)CCCCCCCOC(=O)CCCCC(=O)O,"InChI=1/C16H30O4/c1-14(2)10-6-4-3-5-9-13-20-16(19)12-8-7-11-15(17)18/h14H,3-13H2,1-2H3,(H,17,18)",C16H30O4,,,,,,IXSNSMTVBCIFOP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.308,258-658-1,53605-94-0,Butyl 3-hydroxybutyrate,butyl 3-hydroxybutanoate,CCCCOC(=O)CC(C)O,CCCCOC(=O)CC(C)O,"InChI=1/C8H16O3/c1-3-4-5-11-8(10)6-7(2)9/h7,9H,3-6H2,1-2H3",C8H16O3,,,,,,LHDWRKCOQQHAMP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.318,258-669-1,53622-12-1,"1,1'-oxybis[chlorobutane]","1,1'-oxybis(1-chlorobutane)",CCCC(Cl)OC(Cl)CCC,CCCC(Cl)OC(Cl)CCC,"InChI=1/C8H16Cl2O/c1-3-5-7(9)11-8(10)6-4-2/h7-8H,3-6H2,1-2H3",C8H16Cl2O,,,,,,RMGBJBITSZIYKA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.319,258-670-7,53622-39-2,N-(isopropyl)naphthalen-2-amine,N-isopropylnaphthalen-2-amine,CC(C)Nc1ccc2ccccc2c1,CC(C)Nc1ccc2ccccc2c1,"InChI=1/C13H15N/c1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,1-2H3",C13H15N,,,,,,SIZAEFGOHCBUPV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.326,258-678-0,53633-39-9,2-[[4-(dimethylamino)phenyl]imino]benzo[b]thiophene-3(2H)-one,2-{[4-(dimethylamino)phenyl]imino}-1-benzothiophen-3(2H)-one,CN(C)c1ccc(cc1)N=C3Sc2ccccc2C3=O,CN(C)c1ccc(cc1)N=C3Sc2ccccc2C3=O,"InChI=1/C16H14N2OS/c1-18(2)12-9-7-11(8-10-12)17-16-15(19)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3",C16H14N2OS,,,,,,XMGJTUPJPBHYCF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.333,258-685-9,53651-62-0,"2,6-dimethylthiomorpholine","2,6-dimethylthiomorpholine",CC1CNCC(C)S1,CC1CNCC(C)S1,"InChI=1/C6H13NS/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3",C6H13NS,,,,,,HEFKKYCXFOTNTB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.195,257-433-5,51805-41-5,"3,3'-(methylphosphonoyl)bispropionic acid","3,3'-(methylphosphoryl)dipropanoic acid",CP(=O)(CCC(=O)O)CCC(=O)O,CP(=O)(CCC(=O)O)CCC(=O)O,"InChI=1/C7H13O5P/c1-13(12,4-2-6(8)9)5-3-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)",C7H13O5P,,,,,,STCBUTTVBMCYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.203,257-441-9,51815-08-8,Isopropyl pentadecanoate,isopropyl pentadecanoate,CCCCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)20-17(2)3/h17H,4-16H2,1-3H3",C18H36O2,,,,,,KPHRUIGNOVAUSA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.206,257-445-0,51818-54-3,[[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]methyl]phenol,2-({[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}methyl)phenol,NCCNCCNCCNCc1ccccc1O,NCCNCCNCCNCc1ccccc1O,"InChI=1/C13H24N4O/c14-5-6-15-7-8-16-9-10-17-11-12-3-1-2-4-13(12)18/h1-4,15-18H,5-11,14H2",C13H24N4O,,,,,,MBJJNGWNAZCBBO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.078,255-105-6,40842-88-4,Trisodium 6-methyl-2-[4-[[2-oxo-1-[[(4-sulphonato-1-naphthyl)amino]carbonyl]propyl]azo]-3-sulphonatophenyl]benzothiazole-7-sulphonate,"trisodium 6-methyl-2-[4-({2-oxo-1-[(4-sulfonato-1-naphthyl)carbamoyl]propyl}diazenyl)-3-sulfonatophenyl]-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(NC(=O)C(N=Nc1ccc(cc1S([O-])(=O)=O)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)C(C)=O)c4ccccc45,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(NC(=O)C(N=Nc1ccc(cc1S([O-])(=O)=O)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O)C(C)=O)c4ccccc45,"InChI=1/C28H22N4O11S4.3Na/c1-14-7-9-21-25(26(14)47(41,42)43)44-28(30-21)16-8-10-20(23(13-16)46(38,39)40)31-32-24(15(2)33)27(34)29-19-11-12-22(45(35,36)37)18-6-4-3-5-17(18)19;;;/h3-13,24H,1-2H3,(H,29,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C28H22N4O11S4.3Na,,,,,,PEEWJYPSHMSKEY-UHFFFAOYSA-K,,,,,,,,,,,
100.050.080,255-107-7,40847-64-1,"Sodium 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulphonyl]-4-methylphenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4-methylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1S(=O)(=O)NCCO,[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1S(=O)(=O)NCCO,"InChI=1/C23H21N3O8S2.Na/c1-12-6-7-13(10-17(12)35(30,31)25-8-9-27)26-16-11-18(36(32,33)34)21(24)20-19(16)22(28)14-4-2-3-5-15(14)23(20)29;/h2-7,10-11,25-27H,8-9,24H2,1H3,(H,32,33,34);/q;+1/p-1",C23H21N3O8S2.Na,,,,,,KGFQWQPBSFDQQE-UHFFFAOYSA-M,,,,,,,,,,,
100.050.088,255-116-6,40856-75-5,"(S)-5-(isobutyl)imidazolidine-2,4-dione","5-isobutylimidazolidine-2,4-dione",CC(C)C[C@@H]1NC(=O)NC1=O,CC(C)C[C@@H]1NC(=O)NC1=O,"InChI=1/C7H12N2O2/c1-4(2)3-5-6(10)9-7(11)8-5/h4-5H,3H2,1-2H3,(H2,8,9,10,11)",C7H12N2O2,,,,,,WLRZLHCGXUHRIG-YFKPBYRVSA-N,,,,,,,,,,,
100.050.091,255-119-2,40862-32-6,4'-fluoro-4-iodobutyrophenone,1-(4-fluorophenyl)-4-iodobutan-1-one,Fc1ccc(cc1)C(=O)CCCI,Fc1ccc(cc1)C(=O)CCCI,"InChI=1/C10H10FIO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7H2",C10H10FIO,,,,,,ZCNZJYVQOBYVNB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.096,255-125-5,40877-19-8,4-chloro-4'-methoxybutyrophenone,4-chloro-1-(4-methoxyphenyl)butan-1-one,COc1ccc(cc1)C(=O)CCCCl,COc1ccc(cc1)C(=O)CCCCl,"InChI=1/C11H13ClO2/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7H,2-3,8H2,1H3",C11H13ClO2,,,,,,NGBTWDPPZFGUAY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.097,255-126-0,40878-72-6,2-[(methylthio)methyl]-2-butenal,2-[(methylsulfanyl)methyl]but-2-enal,O=CC(=CC)CSC,O=CC(=CC)CSC,"InChI=1/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3",C6H10OS,,,,,,IBSLHWQWKUNIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.098,255-127-6,40880-51-1,3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile,3-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O,"InChI=1/C17H16ClN5O2/c1-2-22(11-3-10-19)14-6-4-13(5-7-14)20-21-17-9-8-15(23(24)25)12-16(17)18/h4-9,12H,2-3,11H2,1H3",C17H16ClN5O2,,,,,,NPBDWXMKLFBNIW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.102,255-131-8,40888-97-9,"1,1'-azobis(1-methylethyl) diacetate","diazene-1,2-diyldipropane-2,2-diyl diacetate",O=C(C)OC(C)(C)N=NC(C)(C)OC(C)=O,O=C(C)OC(C)(C)N=NC(C)(C)OC(C)=O,"InChI=1/C10H18N2O4/c1-7(13)15-9(3,4)11-12-10(5,6)16-8(2)14/h1-6H3",C10H18N2O4,,,,,,PZILQNGWHUGDLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.106,255-136-5,40906-82-9,[bis[(trifluoromethyl)sulphonyl]methyl]benzene,{bis[(trifluoromethyl)sulfonyl]methyl}benzene,FC(F)(F)S(=O)(=O)C(c1ccccc1)S(=O)(=O)C(F)(F)F,FC(F)(F)S(=O)(=O)C(c1ccccc1)S(=O)(=O)C(F)(F)F,"InChI=1/C9H6F6O4S2/c10-8(11,12)20(16,17)7(6-4-2-1-3-5-6)21(18,19)9(13,14)15/h1-5,7H",C9H6F6O4S2,,,,,,ZMWKYYJODBYKHO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.114,255-144-9,40932-60-3,"3,5,6-trichlorosalicylic acid","2,3,5-trichloro-6-hydroxybenzoic acid",OC(=O)c1c(O)c(Cl)cc(Cl)c1Cl,OC(=O)c1c(O)c(Cl)cc(Cl)c1Cl,"InChI=1/C7H3Cl3O3/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,11H,(H,12,13)",C7H3Cl3O3,,,,,,IIHCUZVBIMTHEB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.923,256-034-3,42980-55-2,"Ethyl N,N-dipropyl-ß-alaninate","ethyl N,N-dipropyl-beta-alaninate",CCCN(CCC)CCC(=O)OCC,CCCN(CCC)CCC(=O)OCC,"InChI=1/C11H23NO2/c1-4-8-12(9-5-2)10-7-11(13)14-6-3/h4-10H2,1-3H3",C11H23NO2,,,,,,SOLYWAUOPAAMCR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.926,256-038-5,42985-76-2,"6-amino-2,5-dihydro-2-thioxo-3H-pyrimidin-4-one","6-amino-2-thioxo-2,5-dihydropyrimidin-4(3H)-one",NC1=NC(=S)NC(=O)C1,NC1=NC(=S)NC(=O)C1,"InChI=1/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)",C4H5N3OS,,,,,,MXSAOUYLOGZLEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.929,256-041-1,42987-34-8,1-amino-2-(4-chlorophenoxy)-4-hydroxyanthraquinone,"1-amino-2-(4-chlorophenoxy)-4-hydroxy-9,10-anthraquinone",Nc1c(Oc2ccc(Cl)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Oc2ccc(Cl)cc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H12ClNO4/c21-10-5-7-11(8-6-10)26-15-9-14(23)16-17(18(15)22)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2",C20H12ClNO4,,,,,,NLVZWCVHFAZLLL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.931,256-043-2,43000-19-7,"Methyl 1-hydroxy-4-(1-hydroxy-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl)-2-naphthoate","methyl 1-hydroxy-4-(1-hydroxy-3-oxo-1H,3H-benzo[de]isochromen-1-yl)-2-naphthoate",COC(=O)c1cc(c2ccccc2c1O)C3(O)OC(=O)c4cccc5cccc3c45,COC(=O)c1cc(c2ccccc2c1O)C3(O)OC(=O)c4cccc5cccc3c45,"InChI=1/C24H16O6/c1-29-22(26)17-12-19(14-8-2-3-9-15(14)21(17)25)24(28)18-11-5-7-13-6-4-10-16(20(13)18)23(27)30-24/h2-12,25,28H,1H3",C24H16O6,,,,,,QJYUGFCUWYOCDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.936,256-049-5,43020-38-8,"2,3,4-trimethoxybenzonitrile","2,3,4-trimethoxybenzonitrile",COc1ccc(C#N)c(OC)c1OC,COc1ccc(C#N)c(OC)c1OC,"InChI=1/C10H11NO3/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5H,1-3H3",C10H11NO3,,,,,,YCSGHMDKBZNXJC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.937,256-050-0,43035-18-3,Calcium bis[4-[[3-[[2-hydroxy-3-[[(4-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]-4-methylbenzoyl]amino]benzenesulphonate],calcium bis(4-{[3-({2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)-4-methylbenzoyl]amino}benzenesulfonate),[Ca+2].[O-]S(=O)(=O)c1ccc(cc1)NC(=O)c5cc(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(OC)cc2)c3O)c(C)cc5.[O-]S(=O)(=O)c1ccc(cc1)NC(=O)c5cc(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(OC)cc2)c3O)c(C)cc5,[Ca+2].[O-]S(=O)(=O)c1ccc(cc1)NC(=O)c5cc(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(OC)cc2)c3O)c(C)cc5.[O-]S(=O)(=O)c1ccc(cc1)NC(=O)c5cc(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(OC)cc2)c3O)c(C)cc5,"InChI=1/2C32H26N4O7S.Ca/c2*1-19-7-8-21(31(38)33-23-11-15-25(16-12-23)44(40,41)42)18-28(19)35-36-29-26-6-4-3-5-20(26)17-27(30(29)37)32(39)34-22-9-13-24(43-2)14-10-22;/h2*3-18,37H,1-2H3,(H,33,38)(H,34,39)(H,40,41,42);/q;;+2/p-2",C32H26N4O7S.1/2Ca,,,,,,GKPNTENSJLYPAC-UHFFFAOYSA-L,,,,,,,,,,,
100.050.940,256-053-7,43037-46-3,"Sodium p-[3-(p-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulphinate","sodium 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfinate",[Na+].[O-]S(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,[Na+].[O-]S(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C15H13ClN2O2S.Na/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(8-6-13)21(19)20;/h1-8H,9-10H2,(H,19,20);/q;+1/p-1",C15H13ClN2O2S.Na,,,,,,ZFCKILMXBFBMCM-UHFFFAOYSA-M,,,,,,,,,,,
100.053.343,258-696-9,53678-77-6,N2-[N-(N-acetylmuramoyl)-L-alanyl]-D-a-glutamine,"4-({2-[(2-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-5-amino-5-oxopentanoic acid (non-preferred name)",C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(=O)C)C(=O)N[C@H](CCC(=O)O)C(=O)N,C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(=O)C)C(=O)N[C@H](CCC(=O)O)C(=O)N,"InChI=1/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)",C19H32N4O11,,,,,,BSOQXXWZTUDTEL-QAQREVAFSA-N,,,,,,,,,,,
100.053.344,258-697-4,53681-47-3,6-amino-1-propyluracil,"6-amino-1-propylpyrimidine-2,4(1H,3H)-dione",CCCN1C(=CC(=O)NC1=O)N,CCCN1C(=CC(=O)NC1=O)N,"InChI=1/C7H11N3O2/c1-2-3-10-5(8)4-6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12)",C7H11N3O2,,,,,,KTWOUYVBZDZRNV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.346,258-700-9,53683-45-7,"Trisodium 7-hydroxynaphthalene-1,3,6-trisulphonate","trisodium 7-hydroxynaphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].Oc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Oc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O10S3.3Na/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;;/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3",C10H8O10S3.3Na,,,,,,KNUSVUNSRWEFEO-UHFFFAOYSA-K,,,,,,,,,,,
100.053.347,258-701-4,53684-56-3,"1,5-dihydro-4,5-diphenyl-2H-imidazol-2-one","4,5-diphenyl-1,5-dihydro-2H-imidazol-2-one",O=C1NC(C(=N1)c2ccccc2)c3ccccc3,O=C1NC(C(=N1)c2ccccc2)c3ccccc3,"InChI=1/C15H12N2O/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10,13H,(H,16,18)",C15H12N2O,,,,,,UXKWMBYYIUTXCY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.355,258-710-3,53716-43-1,"11ß,17-dihydroxypregn-4-ene-3,20-dione 21-[(1-benzyl-1H-indazol-3-yl)oxy]acetate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl [(1-benzyl-1H-indazol-3-yl)oxy]acetate",CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)COc5nn(Cc6ccccc6)c7ccccc57)C4(C)CC(O)C23,CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)COc5nn(Cc6ccccc6)c7ccccc57)C4(C)CC(O)C23,"InChI=1/C37H42N2O7/c1-35-16-14-25(40)18-24(35)12-13-26-28-15-17-37(44,36(28,2)19-30(41)33(26)35)31(42)21-45-32(43)22-46-34-27-10-6-7-11-29(27)39(38-34)20-23-8-4-3-5-9-23/h3-11,18,26,28,30,33,41,44H,12-17,19-22H2,1-2H3",C37H42N2O7,,,,,,DYVIEGCPUPGXOH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.504,256-673-8,50638-95-4,[2-[(3-methyl-2-butenyl)oxy]ethyl]benzene,{2-[(3-methylbut-2-en-1-yl)oxy]ethyl}benzene,CC(=CCOCCc1ccccc1)C,CC(=CCOCCc1ccccc1)C,"InChI=1/C13H18O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3",C13H18O,,,,,,WNXBRCWBIGPREJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.505,256-674-3,50638-98-7,Isopropyl undecanoate,isopropyl undecanoate,CCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCC(=O)OC(C)C,"InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-11-12-14(15)16-13(2)3/h13H,4-12H2,1-3H3",C14H28O2,,,,,,KJRRQERTCPYNMS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.511,256-681-1,50649-28-0,4-propylphenyl p-anisate,4-propylphenyl 4-methoxybenzoate,CCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1,CCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1,"InChI=1/C17H18O3/c1-3-4-13-5-9-16(10-6-13)20-17(18)14-7-11-15(19-2)12-8-14/h5-12H,3-4H2,1-2H3",C17H18O3,,,,,,YQNHZOBOLKKSLP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.522,256-693-7,50663-00-8,"Disodium 2,5-dichloro-4-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 2,5-dichloro-4-{4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(OC)cc3,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(OC)cc3,"InChI=1/C19H18Cl2N4O11S3.2Na/c1-10-18(19(26)25(24-10)15-8-13(21)17(9-12(15)20)38(29,30)31)23-22-14-7-11(3-4-16(14)35-2)37(27,28)6-5-36-39(32,33)34;;/h3-4,7-9,18H,5-6H2,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C19H18Cl2N4O11S3.2Na,,,,,,RPCAXWCLDQZWJF-UHFFFAOYSA-L,,,,,,,,,,,
100.051.524,256-695-8,50663-70-2,Ethyl 1-(6-amino-9H-purin-9-yl)-1-deoxy-ß-D-ribofuranuronate monohydrochloride,9-(5-ethyl-beta-D-ribofuranosyluronosyl)-9H-purin-6-amine hydrochloride,Cl.CCOC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23,Cl.CCOC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23,"InChI=1/C12H15N5O5.ClH/c1-2-21-12(20)8-6(18)7(19)11(22-8)17-4-16-5-9(13)14-3-15-10(5)17;/h3-4,6-8,11,18-19H,2H2,1H3,(H2,13,14,15);1H",C12H15N5O5.ClH,,,,,,ZVHKBPIFLBGJIL-RZDNRXEISA-N,,,,,,,,,,,
100.051.530,256-702-4,50670-83-2,5-(acetylamino)-2-aminobenzoic acid,5-acetamido-2-aminobenzoic acid,CC(=O)Nc1ccc(N)c(c1)C(=O)O,CC(=O)Nc1ccc(N)c(c1)C(=O)O,"InChI=1/C9H10N2O3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,10H2,1H3,(H,11,12)(H,13,14)",C9H10N2O3,,,,,,GSOHXJQXAKNJES-UHFFFAOYSA-N,,,,,,,,,,,
100.051.532,256-705-0,50671-19-7,1-(4-methylphenyl)dodecan-1-one,1-(4-methylphenyl)dodecan-1-one,CCCCCCCCCCCC(=O)c1ccc(C)cc1,CCCCCCCCCCCC(=O)c1ccc(C)cc1,"InChI=1/C19H30O/c1-3-4-5-6-7-8-9-10-11-12-19(20)18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3",C19H30O,,,,,,LDOWFDQKDRZLSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.171,256-307-7,47307-06-2,"3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid","3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid",OC(=O)c1cc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c1,OC(=O)c1cc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c1,"InChI=1/C14H10O9/c15-7-3-6(4-8(16)11(7)19)14(22)23-12-9(17)1-5(13(20)21)2-10(12)18/h1-4,15-19H,(H,20,21)",C14H10O9,,,,,,OVPHIYQDYJLKEW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.174,256-310-3,47346-97-4,"(Z)-N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propylamine","N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propan-1-amine",CN(C)CC\\C=C/1\\c2ccccc2Sc3ccc(cc13)C(F)(F)F,CN(C)CC\C=C/1\c2ccccc2Sc3ccc(cc13)C(F)(F)F,"InChI=1/C19H18F3NS/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22/h3-4,6-10,12H,5,11H2,1-2H3",C19H18F3NS,,,,,,XVQXETRXWKTQSQ-AUWJEWJLSA-N,,,,,,,,,,,
100.051.176,256-312-4,47385-50-2,"2,2'-[(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-diyl)bis(methyleneoxymethylene)]bisoxirane","2,2'-[(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-diyl)bis(methyleneoxymethylene)]dioxirane",ClC1=C(Cl)C2(Cl)C(COCC3CO3)C(COCC4CO4)C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C(COCC3CO3)C(COCC4CO4)C1(Cl)C2(Cl)Cl,"InChI=1/C15H16Cl6O4/c16-11-12(17)14(19)10(6-23-2-8-4-25-8)9(5-22-1-7-3-24-7)13(11,18)15(14,20)21/h7-10H,1-6H2",C15H16Cl6O4,,,,,,PLSOUCDUZDMQJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.180,256-317-1,47458-36-6,N-[3-[[(phenylsulphonyl)amino]sulphonyl]phenyl]methacrylamide,2-methyl-N-{3-[(phenylsulfonyl)sulfamoyl]phenyl}acrylamide,CC(=C)C(=O)Nc1cccc(c1)S(=O)(=O)NS(=O)(=O)c2ccccc2,CC(=C)C(=O)Nc1cccc(c1)S(=O)(=O)NS(=O)(=O)c2ccccc2,"InChI=1/C16H16N2O5S2/c1-12(2)16(19)17-13-7-6-10-15(11-13)25(22,23)18-24(20,21)14-8-4-3-5-9-14/h3-11,18H,1H2,2H3,(H,17,19)",C16H16N2O5S2,,,,,,LKJBBQAYNVHSJH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.186,256-323-4,47593-10-2,"Dimethyl 4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichlorobenzoate]","dimethyl 4,4'-[ethane-1,2-diylbis(oxy)]bis(3,5-dichlorobenzoate)",COC(=O)c1cc(Cl)c(OCCOc2c(Cl)cc(cc2Cl)C(=O)OC)c(Cl)c1,COC(=O)c1cc(Cl)c(OCCOc2c(Cl)cc(cc2Cl)C(=O)OC)c(Cl)c1,"InChI=1/C18H14Cl4O6/c1-25-17(23)9-5-11(19)15(12(20)6-9)27-3-4-28-16-13(21)7-10(8-14(16)22)18(24)26-2/h5-8H,3-4H2,1-2H3",C18H14Cl4O6,,,,,,SEJHPENBJIHBLA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.188,256-326-0,47654-02-4,p-[[bis[4-(dimethylamino)phenyl]methyl]amino]benzenesulphonic acid,4-({bis[4-(dimethylamino)phenyl]methyl}amino)benzenesulfonic acid,CN(C)c1ccc(cc1)C(Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3)N(C)C,CN(C)c1ccc(cc1)C(Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3)N(C)C,"InChI=1/C23H27N3O3S/c1-25(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)26(3)4)24-19-9-15-22(16-10-19)30(27,28)29/h5-16,23-24H,1-4H3,(H,27,28,29)",C23H27N3O3S,,,,,,GWNOPYKHUMPPBG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.844,258-147-3,52740-16-6,Calcium arsenite,calcium arsenite,[Ca+2].[Ca+2].[Ca+2].[O-][As]([O-])[O-].[O-][As]([O-])[O-],[Ca+2].[Ca+2].[Ca+2].[O-][As]([O-])[O-].[O-][As]([O-])[O-],InChI=1/2AsO3.3Ca/c2*2-1(3)4;;;/q2*-3;3*+2,AsH3O3.Ca,,,,,,MHUYNKTVRSCHBE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.845,258-148-9,52740-90-6,"1-amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthryl)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide","1-amino-N-(3-bromo-9,10-dioxo-9,10-dihydroanthracen-2-yl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide",Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)Nc4cc5C(=O)c6ccccc6C(=O)c5cc4Br,Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)Nc4cc5C(=O)c6ccccc6C(=O)c5cc4Br,"InChI=1/C29H15BrN2O5/c30-21-11-19-20(27(35)14-6-2-1-5-13(14)26(19)34)12-22(21)32-29(37)18-10-9-17-23(24(18)31)28(36)16-8-4-3-7-15(16)25(17)33/h1-12H,31H2,(H,32,37)",C29H15BrN2O5,,,,,,CNBMPLAEVDUBAN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.849,258-153-6,52749-23-2,Sodium 5-[(dimethylphenyl)azo]-6-hydroxynaphthalene-2-sulphonate,"sodium 5-[(2,3-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate",[Na+].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1cccc(C)c1C)c3cc2,[Na+].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1cccc(C)c1C)c3cc2,"InChI=1/C18H16N2O4S.Na/c1-11-4-3-5-16(12(11)2)19-20-18-15-8-7-14(25(22,23)24)10-13(15)6-9-17(18)21;/h3-10,21H,1-2H3,(H,22,23,24);/q;+1/p-1",C18H16N2O4S.Na,,,,,,LZGQLYPCTLDNCI-UHFFFAOYSA-M,,,,,,,,,,,
100.052.850,258-154-1,52756-22-6,"Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D,L-alaninate",isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-L-alaninate,CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2,CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2,"InChI=1/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3",C19H19ClFNO3,,,,,,IKVXBIIHQGXQRQ-ZDUSSCGKSA-N,,,,,,,,,,,
100.052.852,258-156-2,52761-08-7,3-hydroxymethylpyridinium chloride,3-(hydroxymethyl)pyridinium chloride,[Cl-].OCc1ccc[nH+]c1,[Cl-].OCc1ccc[nH+]c1,"InChI=1/C6H7NO.ClH/c8-5-6-2-1-3-7-4-6;/h1-4,8H,5H2;1H",C6H7NO.ClH,,,,,,BPNQTQDUQIZJOW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.856,258-160-4,52762-70-6,"N-[4-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide",N-[4-(4-tert-butyl-2-cyclopentylphenoxy)butyl]-1-hydroxy-2-naphthamide,CC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(c1)C4CCCC4,CC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(c1)C4CCCC4,"InChI=1/C30H37NO3/c1-30(2,3)23-15-17-27(26(20-23)21-10-4-5-11-21)34-19-9-8-18-31-29(33)25-16-14-22-12-6-7-13-24(22)28(25)32/h6-7,12-17,20-21,32H,4-5,8-11,18-19H2,1-3H3,(H,31,33)",C30H37NO3,,,,,,RYEGPDWPWAYFCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.859,258-164-6,52764-13-3,3-hydroxy-N-isopropylpyridine-2-carboxamide,3-hydroxy-N-isopropylpyridine-2-carboxamide,CC(C)NC(=O)c1ncccc1O,CC(C)NC(=O)c1ncccc1O,"InChI=1/C9H12N2O2/c1-6(2)11-9(13)8-7(12)4-3-5-10-8/h3-6,12H,1-2H3,(H,11,13)",C9H12N2O2,,,,,,ANBXAMKBEVXLAL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.860,258-165-1,52767-61-0,Ethylene bis(hydroxyacetate),"ethane-1,2-diyl bis(hydroxyacetate)",OCC(=O)OCCOC(=O)CO,OCC(=O)OCCOC(=O)CO,"InChI=1/C6H10O6/c7-3-5(9)11-1-2-12-6(10)4-8/h7-8H,1-4H2",C6H10O6,,,,,,KCZIRQGMWBGPRP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.861,258-166-7,52769-39-8,"3-[[4-[benzylmethylamino]phenyl]azo]dimethyl-1H-1,2,4-triazolium trichlorozincate(1-)","3-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,1-dimethyl-1H-1,2,4-triazol-1-ium trichlorozincate(1-)",Cl[Zn-](Cl)Cl.CN(Cc1ccccc1)c2ccc(cc2)N=Nc3nc[n+](C)(C)n3,Cl[Zn-](Cl)Cl.CN(Cc1ccccc1)c2ccc(cc2)N=Nc3nc[n+](C)(C)n3,"InChI=1/C18H21N6.3ClH.Zn/c1-23(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-19-14-24(2,3)22-18;;;;/h4-12,14H,13H2,1-3H3;3*1H;/q+1;;;;+2/p-3/rC18H21N6.Cl3Zn/c1-23(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-19-14-24(2,3)22-18;1-4(2)3/h4-12,14H,13H2,1-3H3;/q+1;-1",C18H21N6.Cl3Zn,,,,,,LTWQAJGRFZZFDV-UHFFFAOYSA-K,,,,,,,,,,,
100.052.867,258-173-5,52779-85-8,2-[4-(thien-2-ylcarbonyl)phenyl]propiononitrile,2-[4-(2-thienylcarbonyl)phenyl]propanenitrile,CC(C#N)c1ccc(cc1)C(=O)c2cccs2,CC(C#N)c1ccc(cc1)C(=O)c2cccs2,"InChI=1/C14H11NOS/c1-10(9-15)11-4-6-12(7-5-11)14(16)13-3-2-8-17-13/h2-8,10H,1H3",C14H11NOS,,,,,,OFGUULGKDTVNML-UHFFFAOYSA-N,,,,,,,,,,,
100.052.868,258-174-0,52779-97-2,Sodium 2-[4-(2-thienylcarbonyl)phenyl]propionate,sodium 2-[4-(2-thienylcarbonyl)phenyl]propanoate,[Na+].CC(C(=O)[O-])c1ccc(cc1)C(=O)c2cccs2,[Na+].CC(C(=O)[O-])c1ccc(cc1)C(=O)c2cccs2,"InChI=1/C14H12O3S.Na/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12;/h2-9H,1H3,(H,16,17);/q;+1/p-1",C14H12O3S.Na,,,,,,ADTGIGSPQHDPLT-UHFFFAOYSA-M,,,,,,,,,,,
100.049.691,254-680-0,39893-64-6,"a,2-dimethyl-4-nitro-1H-imidazole-1-ethanol",1-(2-methyl-4-nitro-1H-imidazol-1-yl)propan-2-ol,CC(O)Cn1cc(nc1C)[N+](=O)[O-],CC(O)Cn1cc(nc1C)[N+](=O)[O-],"InChI=1/C7H11N3O3/c1-5(11)3-9-4-7(10(12)13)8-6(9)2/h4-5,11H,3H2,1-2H3",C7H11N3O3,,,,,,JRXLILGOSVVPCW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.431,258-794-1,53813-83-5,Suriclone,"6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methylpiperazine-1-carboxylate",CN1CCN(CC1)C(=O)OC2N(C(=O)C3=C2SCCS3)c4ccc5ccc(Cl)nc5n4,CN1CCN(CC1)C(=O)OC2N(C(=O)C3=C2SCCS3)c4ccc5ccc(Cl)nc5n4,"InChI=1/C20H20ClN5O3S2/c1-24-6-8-25(9-7-24)20(28)29-19-16-15(30-10-11-31-16)18(27)26(19)14-5-3-12-2-4-13(21)22-17(12)23-14/h2-5,19H,6-11H2,1H3",C20H20ClN5O3S2,,,,,,RMXOUBDDDQUBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.436,258-799-9,53817-09-7,4-amino-N-(2-ethylhexyl)benzenesulphonamide,4-amino-N-(2-ethylhexyl)benzenesulfonamide,CCCCC(CC)CNS(=O)(=O)c1ccc(N)cc1,CCCCC(CC)CNS(=O)(=O)c1ccc(N)cc1,"InChI=1/C14H24N2O2S/c1-3-5-6-12(4-2)11-16-19(17,18)14-9-7-13(15)8-10-14/h7-10,12,16H,3-6,11,15H2,1-2H3",C14H24N2O2S,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7098,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.436,HHEXVLXMZIVFSS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.441,258-804-4,53817-59-7,Diisotridecyl maleate,bis(11-methyldodecyl) but-2-enedioate,CC(C)CCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCC(C)C,"InChI=1/C30H56O4/c1-27(2)21-17-13-9-5-7-11-15-19-25-33-29(31)23-24-30(32)34-26-20-16-12-8-6-10-14-18-22-28(3)4/h23-24,27-28H,5-22,25-26H2,1-4H3",C30H56O4,,,,,,JEHBOJVFHNCQJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.447,258-811-2,53823-70-4,Fructose 1-(barium phosphate),"[1-O-(phosphono-kappa~2~O,O')hex-2-ulofuranosato(2-)]barium",OCC1OC(O)(COP2(=O)O[Ba]O2)C(O)C1O,OCC1OC(O)(COP2(=O)O[Ba]O2)C(O)C1O,"InChI=1/C6H13O9P.Ba/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13;/h3-5,7-10H,1-2H2,(H2,11,12,13);/q;+2/p-2/rC6H11BaO9P/c8-1-3-4(9)5(10)6(11,14-3)2-13-17(12)15-7-16-17/h3-5,8-11H,1-2H2",C6H13O9P.Ba,,,,,,FFIAPLNALYDYQK-UHFFFAOYSA-L,,,,,,,,,,,
100.053.449,258-813-3,53823-72-6,Barium hydrogen 3-hydroxy-2-(phosphonatooxy)propionate,barium hydrogen 3-hydroxy-2-(phosphonatooxy)propanoate,[Ba+2].OCC(OP(=O)([O-])[O-])C(=O)[O-],[Ba+2].OCC(OP(=O)([O-])[O-])C(=O)[O-],"InChI=1/C3H7O7P.Ba/c4-1-2(3(5)6)10-11(7,8)9;/h2,4H,1H2,(H,5,6)(H2,7,8,9);/q;+2/p-3",C3H7O7P.Ba,,,,,,VDCXVAFBCOMLAH-UHFFFAOYSA-K,,,,,,,,,,,
100.053.450,258-814-9,53824-77-4,Propylene didecanoate,"propane-1,2-diyl didecanoate",CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC,"InChI=1/C23H44O4/c1-4-6-8-10-12-14-16-18-22(24)26-20-21(3)27-23(25)19-17-15-13-11-9-7-5-2/h21H,4-20H2,1-3H3",C23H44O4,,,,,,NFIHXTUNNGIYRF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.451,258-815-4,53833-30-0,"2-ethyl-4,5-dimethyloxazole","2-ethyl-4,5-dimethyl-1,3-oxazole",CCc1oc(C)c(C)n1,CCc1oc(C)c(C)n1,"InChI=1/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3",C7H11NO,,,,,,LCYOFVYHDBWYSI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.454,258-819-6,53837-34-6,"6,10-dimethylundeca-5,9-dien-2-ol","6,10-dimethylundeca-5,9-dien-2-ol",C/C(C)=C\\CCC(C)=CCCC(C)O,C/C(C)=C\CCC(C)=CCCC(C)O,"InChI=1/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9,13-14H,5-6,8,10H2,1-4H3",C13H24O,,,,,,LYFDNQZGOHRKNK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.456,258-821-7,53841-40-0,"Sodium hydrogen 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulphonatobutyl)-1H-benzimidazolium",-,[H+].[Na+].[O-]S(=O)(=O)CCCCN3c4cc(Cl)c(Cl)cc4[NH+](CC)C3C=CC=C2N(CC)c1cc(Cl)c(Cl)cc1N2CCCCS([O-])(=O)=O,[H+].[Na+].[O-]S(=O)(=O)CCCCN3c4cc(Cl)c(Cl)cc4[NH+](CC)C3C=CC=C2N(CC)c1cc(Cl)c(Cl)cc1N2CCCCS([O-])(=O)=O,"InChI=1/C29H36Cl4N4O6S2.Na.H2/c1-3-34-24-16-20(30)22(32)18-26(24)36(12-5-7-14-44(38,39)40)28(34)10-9-11-29-35(4-2)25-17-21(31)23(33)19-27(25)37(29)13-6-8-15-45(41,42)43;;/h9-11,16-19,28H,3-8,12-15H2,1-2H3,(H,38,39,40)(H,41,42,43);;1H/q;2*+1/p-1",C29H35Cl4N4O6S2.Na,,,,,,YQMJMTLRXPOOLN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.464,258-830-6,53866-28-7,"Ethyl hydrogen 7a-(acetylthio)-17a-hydroxy-3-oxopregn-4-ene-21,21-dicarboxylate <U+03B3>-lactone","ethyl 7-(acetylsulfanyl)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-4'-carboxylate",CCOC(=O)C1CC2(CCC3C4C(CC5=CC(=O)CCC5(C)C4CCC23C)SC(=O)C)OC1=O,CCOC(=O)C1CC2(CCC3C4C(CC5=CC(=O)CCC5(C)C4CCC23C)SC(=O)C)OC1=O,"InChI=1/C27H36O6S/c1-5-32-23(30)18-14-27(33-24(18)31)11-8-20-22-19(7-10-26(20,27)4)25(3)9-6-17(29)12-16(25)13-21(22)34-15(2)28/h12,18-22H,5-11,13-14H2,1-4H3",C27H36O6S,,,,,,KRLMIXGEJNGQOO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.475,258-842-1,53890-72-5,Lithium nicotinate,lithium nicotinate,[Li+].[O-]C(=O)c1cccnc1,[Li+].[O-]C(=O)c1cccnc1,"InChI=1/C6H5NO2.Li/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);/q;+1/p-1",C6H5NO2.Li,,,,,,BGISFYHWLSYDCI-UHFFFAOYSA-M,,,,,,,,,,,
100.048.866,253-771-2,38078-09-0,(diethylamino)sulphur trifluoride,(diethylamino)sulphur trifluoride,[F-].[F-].[F-].CCN([SH2+])CC.CCN([SH2+])CC.CCN([SH2+])CC,[F-].[F-].[F-].CCN([SH2+])CC.CCN([SH2+])CC.CCN([SH2+])CC,"InChI=1/3C4H11NS.3FH/c3*1-3-5(6)4-2;;;/h3*6H,3-4H2,1-2H3;3*1H",C4H10F3NS,,,,,,ZAEAYWHQYFXRRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.377,255-434-5,41544-24-5,"2-[2-(dimethylamino)ethoxy]-N-tricyclo[3.3.1.13,7]dec-1-ylacetamide monohydrochloride",N-adamantan-1-yl-2-[2-(dimethylamino)ethoxy]acetamide hydrochloride,Cl.CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,Cl.CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,"InChI=1/C16H28N2O2.ClH/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16;/h12-14H,3-11H2,1-2H3,(H,17,19);1H",C16H28N2O2.ClH,,,,,,BPRCWSNCXPHMIW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.378,255-435-0,41544-42-7,Bis(4-methylcyclohexyl) adipate,bis(4-methylcyclohexyl) adipate,CC1CCC(CC1)OC(=O)CCCCC(=O)OC2CCC(C)CC2,CC1CCC(CC1)OC(=O)CCCCC(=O)OC2CCC(C)CC2,"InChI=1/C20H34O4/c1-15-7-11-17(12-8-15)23-19(21)5-3-4-6-20(22)24-18-13-9-16(2)10-14-18/h15-18H,3-14H2,1-2H3",C20H34O4,,,,,,UMHIOUCCNOWTEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.357,258-712-4,53716-49-7,Carprofen,2-(6-chloro-9H-carbazol-2-yl)propanoic acid,CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,"InChI=1/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)",C15H12ClNO2,,,,,,PUXBGTOOZJQSKH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.360,258-716-6,53718-27-7,"6-(tert-butyl)-1,1,3,3-tetramethylindan-5-ol","6-tert-butyl-1,1,3,3-tetramethylindan-5-ol",CC(C)(C)c1cc2c(cc1O)C(C)(C)CC2(C)C,CC(C)(C)c1cc2c(cc1O)C(C)(C)CC2(C)C,"InChI=1/C17H26O/c1-15(2,3)13-8-11-12(9-14(13)18)17(6,7)10-16(11,4)5/h8-9,18H,10H2,1-7H3",C17H26O,,,,,,PMNVVCYFXVWMON-UHFFFAOYSA-N,,,,,,,,,,,
100.053.361,258-717-1,53718-28-8,"1,1,3,3,6-pentamethylindan-4-ol","1,1,3,3,6-pentamethylindan-4-ol",Cc1cc(O)c2c(c1)C(C)(C)CC2(C)C,Cc1cc(O)c2c(c1)C(C)(C)CC2(C)C,"InChI=1/C14H20O/c1-9-6-10-12(11(15)7-9)14(4,5)8-13(10,2)3/h6-7,15H,8H2,1-5H3",C14H20O,,,,,,KNNNLBDLVODXDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.363,258-719-2,53718-30-2,"1-ethyl-1,3,3-trimethylindan-5-ol","1-ethyl-1,3,3-trimethylindan-5-ol",CCC1(C)CC(C)(C)c2cc(O)ccc12,CCC1(C)CC(C)(C)c2cc(O)ccc12,"InChI=1/C14H20O/c1-5-14(4)9-13(2,3)12-8-10(15)6-7-11(12)14/h6-8,15H,5,9H2,1-4H3",C14H20O,,,,,,ZWXLWYJXJMJPSB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.251,253-093-7,36536-46-6,(±)-4-methyloxetan-2-one,4-methyloxetan-2-one,CC1CC(=O)O1,CC1CC(=O)O1,"InChI=1/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3",C4H6O2,,,,,,GSCLMSFRWBPUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.885,252-689-4,35718-03-7,N-benzylnorborn-2-ylamine,N-benzylbicyclo[2.2.1]heptan-2-amine,C(NC1CC2CCC1C2)c3ccccc3,C(NC1CC2CCC1C2)c3ccccc3,"InChI=1/C14H19N/c1-2-4-11(5-3-1)10-15-14-9-12-6-7-13(14)8-12/h1-5,12-15H,6-10H2",C14H19N,,,,,,DOMDOUHZPYAOCT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.895,252-700-2,35725-46-3,Tetrairon octasodium pentakis(pyrophosphate),tetrairon octasodium pentakis(pyrophosphate),[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O,[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1/4Fe.8Na.5H4O7P2/c;;;;;;;;;;;;5*1-8(2,3)7-9(4,5)6/h;;;;;;;;;;;;5*(H2,1,2,3)(H2,4,5,6)/q4*+3;8*+1;;;;;/p-20",Fe.5/4H4O7P2.2Na,,,,,,GOTWCIPCHLJPHB-UHFFFAOYSA-A,,,,,,,,,,,
100.047.896,252-701-8,35730-09-7,"2,5-difluorobenzoyl chloride","2,5-difluorobenzoyl chloride",Fc1ccc(F)c(c1)C(=O)Cl,Fc1ccc(F)c(c1)C(=O)Cl,InChI=1/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H,C7H3ClF2O,,,,,,RLRUKKDFNWXXRT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.901,252-707-0,35739-01-6,1-methyl 3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-ß-aspartyl]-L-alaninate,methyl N-[(benzyloxy)carbonyl]-L-beta-aspartylphenylalaninate,COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O,COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O,"InChI=1/C22H24N2O7/c1-30-21(28)18(12-15-8-4-2-5-9-15)23-19(25)13-17(20(26)27)24-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,23,25)(H,24,29)(H,26,27)",C22H24N2O7,,,,,,CLVVEIINFJLFNK-ROUUACIJSA-N,,,,,,,,,,,
100.047.907,252-713-3,35763-44-1,Sodium 5-butyl-5-ethylbarbiturate,"sodium 5-butyl-5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCCCC1(CC)C(=O)NC(=NC1=O)[O-],[Na+].CCCCC1(CC)C(=O)NC(=NC1=O)[O-],"InChI=1/C10H16N2O3.Na/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14;/h3-6H2,1-2H3,(H2,11,12,13,14,15);/q;+1/p-1",C10H16N2O3.Na,,,,,,QTNNCMYRNIXYPH-UHFFFAOYSA-M,,,,,,,,,,,
100.047.908,252-714-9,35763-62-3,"3-methoxy-2-phenyl-1H-naphtho[2,1,8-mna]thioxanthen-1-one","3-methoxy-2-phenyl-1H-naphtho[2,1,8-mna]thioxanthen-1-one",COC1=C(C(=O)c2ccc3c4ccccc4Sc5ccc1c2c35)c6ccccc6,COC1=C(C(=O)c2ccc3c4ccccc4Sc5ccc1c2c35)c6ccccc6,"InChI=1/C26H16O2S/c1-28-26-19-13-14-21-24-17(16-9-5-6-10-20(16)29-21)11-12-18(23(19)24)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3",C26H16O2S,,,,,,AWXCEFQSHXRBSB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.918,252-725-9,35783-56-3,5-methylbenzoxazole-2-acetamide,"2-(5-methyl-1,3-benzoxazol-2-yl)acetamide",Cc1ccc2oc(CC(=O)N)nc2c1,Cc1ccc2oc(CC(=O)N)nc2c1,"InChI=1/C10H10N2O2/c1-6-2-3-8-7(4-6)12-10(14-8)5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)",C10H10N2O2,,,,,,SVDXZZAXEZBBNY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.920,252-728-5,35788-39-7,Cyclohexyl 3-octyloxiran-2-octanoate,cyclohexyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OC2CCCCC2,CCCCCCCCC1OC1CCCCCCCC(=O)OC2CCCCC2,"InChI=1/C24H44O3/c1-2-3-4-5-7-13-18-22-23(27-22)19-14-8-6-9-15-20-24(25)26-21-16-11-10-12-17-21/h21-23H,2-20H2,1H3",C24H44O3,,,,,,QSIGPWWSZONILI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.921,252-729-0,35788-40-0,Isobutyl 3-octyloxiran-2-octanoate,isobutyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(C)C,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(C)C,"InChI=1/C22H42O3/c1-4-5-6-7-9-12-15-20-21(25-20)16-13-10-8-11-14-17-22(23)24-18-19(2)3/h19-21H,4-18H2,1-3H3",C22H42O3,,,,,,RLZMLCOLHSMIMU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.196,256-334-4,47750-79-8,"2,2',2''-nitrilotriethyl tribenzoate","nitrilotriethane-2,1-diyl tribenzoate",O=C(OCCN(CCOC(=O)c1ccccc1)CCOC(=O)c2ccccc2)c3ccccc3,O=C(OCCN(CCOC(=O)c1ccccc1)CCOC(=O)c2ccccc2)c3ccccc3,"InChI=1/C27H27NO6/c29-25(22-10-4-1-5-11-22)32-19-16-28(17-20-33-26(30)23-12-6-2-7-13-23)18-21-34-27(31)24-14-8-3-9-15-24/h1-15H,16-21H2",C27H27NO6,,,,,,OAXKCKGNLUUHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.200,256-339-1,47893-59-4,"4,4'-[carbonylbis[imino(1-hydroxy-3-sulphonaphthalene-6,2-diyl)azo]]dibenzoic acid",4-({6-[({6-[(4-carboxyphenyl)diazenyl]-5-hydroxy-7-sulfo-2-naphthyl}carbamoyl)amino]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)benzoic acid,OC(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C(O)=O)c6O)S(O)(=O)=O)S(O)(=O)=O,OC(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C(O)=O)c6O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C35H24N6O13S2/c42-31-25-11-9-23(13-19(25)15-27(55(49,50)51)29(31)40-38-21-5-1-17(2-6-21)33(44)45)36-35(48)37-24-10-12-26-20(14-24)16-28(56(52,53)54)30(32(26)43)41-39-22-7-3-18(4-8-22)34(46)47/h1-16,42-43H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54)",C35H24N6O13S2,,,,,,WMIJIYVKKKOTGP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.202,256-341-2,47910-88-3,"4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]",OCCNc1nc(Nc2cccc(c2)S(=O)(=O)O)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCCO)nc(Nc6cccc(c6)S(=O)(=O)O)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,OCCNc1nc(Nc2cccc(c2)S(=O)(=O)O)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCCO)nc(Nc6cccc(c6)S(=O)(=O)O)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,"InChI=1/C36H36N12O14S4/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)",C36H36N12O14S4,,,,,,BCSZQTDMXPAYQX-BQYQJAHWSA-N,,,,,,,,,,,
100.051.207,256-347-5,48052-66-0,Trimethyl[(1-oxoallyl)amino]methylammonium chloride,"(acryloylamino)-N,N,N-trimethylmethanaminium chloride",[Cl-].C[N+](C)(C)CNC(=O)C=C,[Cl-].C[N+](C)(C)CNC(=O)C=C,"InChI=1/C7H14N2O.ClH/c1-5-7(10)8-6-9(2,3)4;/h5H,1,6H2,2-4H3;1H",C7H15N2O.Cl,,,,,,ZQYKGADTDCTWSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.135,252-964-9,36311-34-9,Isohexadecanol,14-methylpentadecan-1-ol,CC(C)CCCCCCCCCCCCCO,CC(C)CCCCCCCCCCCCCO,"InChI=1/C16H34O/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h16-17H,3-15H2,1-2H3",C16H34O,,,,,,CFSSWEQYBLCBLH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.140,252-970-1,36316-69-5,"3,4-dimethylpyridinium chloride","3,4-dimethylpyridinium chloride",[Cl-].Cc1cc[nH+]cc1C,[Cl-].Cc1cc[nH+]cc1C,"InChI=1/C7H9N.ClH/c1-6-3-4-8-5-7(6)2;/h3-5H,1-2H3;1H",C7H9N.ClH,,,,,,AMTHDYLSECUIBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.143,252-973-8,36321-40-1,Calcium di-ß-alaninate,beta-alanine,NCCC(=O)O,NCCC(=O)O,"InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)",C3H7NO2.1/2Ca,,,,,,UCMIRNVEIXFBKS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.148,252-979-0,36330-85-5,Fenbufen,4-biphenyl-4-yl-4-oxobutanoic acid,OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2,OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2,"InChI=1/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)",C16H14O3,,,,,,ZPAKPRAICRBAOD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.160,252-992-1,36354-80-0,"Dioctanoic acid, diester with glycerol","2-hydroxypropane-1,3-diyl dioctanoate",CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC,CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC,"InChI=1/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3",C19H36O5,,,,,,DMBAVJVECSKEPF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.169,253-003-6,36369-40-1,N-[2-[(2-aminoethyl)amino]ethyl]carbamic acid,{2-[(2-aminoethyl)amino]ethyl}carbamic acid,NCCNCCNC(=O)O,NCCNCCNC(=O)O,"InChI=1/C5H13N3O2/c6-1-2-7-3-4-8-5(9)10/h7-8H,1-4,6H2,(H,9,10)",C5H13N3O2,,,,,,ZUBOWBHHVKFYFL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.171,253-005-7,36379-03-0,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-4-(2-methoxyethoxy)-5-[[2-(2-methoxyethoxy)ethyl]amino]phenyl]acetamide","N-(2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)-5-{[2-(2-methoxyethoxy)ethyl]amino}phenyl)acetamide",Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NCCOCCOC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NCCOCCOC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C22H27ClN6O9/c1-14(30)25-17-12-19(24-4-5-37-8-6-35-2)21(38-9-7-36-3)13-18(17)26-27-22-16(23)10-15(28(31)32)11-20(22)29(33)34/h10-13,24H,4-9H2,1-3H3,(H,25,30)",C22H27ClN6O9,,,,,,JPBIQFJXZOMMDH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.172,253-006-2,36381-62-1,2-(2-hydroxyethoxy)ethyl palmitate,2-(2-hydroxyethoxy)ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCOCCO,CCCCCCCCCCCCCCCC(=O)OCCOCCO,"InChI=1/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)24-19-18-23-17-16-21/h21H,2-19H2,1H3",C20H40O4,,,,,,RGODSEMCBFJLCL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.173,253-007-8,36388-09-7,1-(dipropylamino)propan-2-ol,1-(dipropylamino)propan-2-ol,CCCN(CCC)CC(C)O,CCCN(CCC)CC(C)O,"InChI=1/C9H21NO/c1-4-6-10(7-5-2)8-9(3)11/h9,11H,4-8H2,1-3H3",C9H21NO,,,,,,LAOZQNBBEXGXBN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.696,254-685-8,39897-20-6,"3-phenyl-N-[(vinyloxy)carbonyl]-L-alanine, compound with dicyclohexylamine (1:1)",N-[(vinyloxy)carbonyl]phenylalanine - N-cyclohexylcyclohexanamine (1:1),OC(=O)[C@H](Cc1ccccc1)NC(=O)OC=C.C2CCC(CC2)NC3CCCCC3,OC(=O)[C@H](Cc1ccccc1)NC(=O)OC=C.C2CCC(CC2)NC3CCCCC3,"InChI=1/C12H13NO4.C12H23N/c1-2-17-12(16)13-10(11(14)15)8-9-6-4-3-5-7-9;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-7,10H,1,8H2,(H,13,16)(H,14,15);11-13H,1-10H2",C12H23N.C12H13NO4,,,,,,GNGIRZHRNUHEDE-PPHPATTJSA-N,,,,,,,,,,,
100.049.698,254-687-9,39897-31-9,"N-[(vinyloxy)carbonyl]-L-serine, compound with dicyclohexylamine (1:1)",N-[(vinyloxy)carbonyl]-L-serine - N-cyclohexylcyclohexanamine (1:1),OC[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2,OC[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C6H9NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-12-6(11)7-4(3-8)5(9)10/h11-13H,1-10H2;2,4,8H,1,3H2,(H,7,11)(H,9,10)",C12H23N.C6H9NO5,,,,,,ONHSFKHDYBPVKK-VWMHFEHESA-N,,,,,,,,,,,
100.049.699,254-688-4,39897-32-0,"N-vinyloxycarbonyl-L-threonine, compound with dicyclohexylamine",N-[(vinyloxy)carbonyl]-L-threonine - N-cyclohexylcyclohexanamine (1:1),CC(O)[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(O)[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C7H11NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-13-7(12)8-5(4(2)9)6(10)11/h11-13H,1-10H2;3-5,9H,1H2,2H3,(H,8,12)(H,10,11)",C12H23N.C7H11NO5,,,,,,JUSVQCAJNQKYEJ-IMPWDBNVSA-N,,,,,,,,,,,
100.049.714,254-705-5,39924-52-2,Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate,methyl (3-oxo-2-pent-2-en-1-ylcyclopentyl)acetate,O=C1CCC(CC(=O)OC)C1CC=CCC,O=C1CCC(CC(=O)OC)C1CC=CCC,"InChI=1/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3",C13H20O3,,,,,,GEWDNTWNSAZUDX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.718,254-709-7,39936-67-9,"1,3-dihydro-1,3-bis(2-hydroxyethyl)-2H-benzimidazol-2-one","1,3-bis(2-hydroxyethyl)-1,3-dihydro-2H-benzimidazol-2-one",OCCN1C(=O)N(CCO)c2ccccc12,OCCN1C(=O)N(CCO)c2ccccc12,"InChI=1/C11H14N2O3/c14-7-5-12-9-3-1-2-4-10(9)13(6-8-15)11(12)16/h1-4,14-15H,5-8H2",C11H14N2O3,,,,,,UARFFANGBYNLQT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.719,254-710-2,39943-70-9,Tris(2-hydroxyethyl)ammonium decyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium decyl sulfate",CCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C10H22O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;8-4-1-7(2-5-9)3-6-10/h2-10H2,1H3,(H,11,12,13);8-10H,1-6H2",C10H22O4S.C6H15NO3,,,,,,ATZAKPNPIMQYKA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.727,254-719-1,39957-00-1,"2-henicosyl-4,5-dihydro-1H-imidazole-1-ethanol","2-(2-henicosyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCO,CCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCO,"InChI=1/C26H52N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-27-22-23-28(26)24-25-29/h29H,2-25H2,1H3",C26H52N2O,,,,,,AUIGAEZZCRTNFC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.729,254-721-2,39971-36-3,Methyl 5-acetyl-2-methoxybenzoate,methyl 5-acetyl-2-methoxybenzoate,COC(=O)c1cc(ccc1OC)C(=O)C,COC(=O)c1cc(ccc1OC)C(=O)C,"InChI=1/C11H12O4/c1-7(12)8-4-5-10(14-2)9(6-8)11(13)15-3/h4-6H,1-3H3",C11H12O4,,,,,,KPDRDAXDDZAPHS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.732,254-724-9,39974-35-1,2-chloro-1-nitro-3-(trifluoromethyl)benzene,2-chloro-1-nitro-3-(trifluoromethyl)benzene,[O-][N+](=O)c1cccc(c1Cl)C(F)(F)F,[O-][N+](=O)c1cccc(c1Cl)C(F)(F)F,"InChI=1/C7H3ClF3NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H",C7H3ClF3NO2,,,,,,TWABRHQBRWLSSE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.735,254-728-0,39978-42-2,Nifurzide,5-nitro-N'-[3-(5-nitro-2-furyl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide,O=C(NN=CC=Cc1ccc(o1)[N+]([O-])=O)c2ccc(s2)[N+](=O)[O-],O=C(NN=CC=Cc1ccc(o1)[N+]([O-])=O)c2ccc(s2)[N+](=O)[O-],"InChI=1/C12H8N4O6S/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)",C12H8N4O6S,,,,,,IDUMOVRJNBNOTR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.736,254-729-6,39978-44-4,5-nitro-2-thenoylhydrazide,5-nitrothiophene-2-carbohydrazide,NNC(=O)c1ccc(s1)N(=O)=O,NNC(=O)c1ccc(s1)N(=O)=O,"InChI=1/C5H5N3O3S/c6-7-5(9)3-1-2-4(12-3)8(10)11/h1-2H,6H2,(H,7,9)",C5H5N3O3S,,,,,,HYYOPSIKJXWRID-UHFFFAOYSA-N,,,,,,,,,,,
100.050.908,256-018-6,42954-58-5,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-leucine, compound with cyclohexylamine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-leucine - cyclohexanamine (1:1),CC(C)C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,CC(C)C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,"InChI=1/C18H24N2O4S.C6H13N/c1-12(2)11-15(18(21)22)19-25(23,24)17-10-6-7-13-14(17)8-5-9-16(13)20(3)4;7-6-4-2-1-3-5-6/h5-10,12,15,19H,11H2,1-4H3,(H,21,22);6H,1-5,7H2",C18H24N2O4S.C6H13N,,,,,,KMKWMTLYBLHMGU-RSAXXLAASA-N,,,,,,,,,,,
100.050.909,256-019-1,42957-54-0,Profenamine hydrochloride,"N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine hydrochloride",Cl.CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13,Cl.CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13,"InChI=1/C19H24N2S.ClH/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21;/h6-13,15H,4-5,14H2,1-3H3;1H",C19H24N2S.xClH,,,,,,VXPCQISYVPFYRK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.910,256-020-7,42959-99-9,(2-bromo-3-nitrophenyl) phenyl ketone,(2-bromo-3-nitrophenyl)(phenyl)methanone,[O-][N+](=O)c1cccc(C(=O)c2ccccc2)c1Br,[O-][N+](=O)c1cccc(C(=O)c2ccccc2)c1Br,InChI=1/C13H8BrNO3/c14-12-10(7-4-8-11(12)15(17)18)13(16)9-5-2-1-3-6-9/h1-8H,C13H8BrNO3,,,,,,CXJKOOUMPLYFMK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.382,255-439-2,41560-92-3,3-ethyl-5-[1-methyl-2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one,"3-ethyl-5-[1-methyl-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxo-1,3-oxazolidin-4-one",O=C1C(OC(=S)N1CC)=C(C)C=C2CCCN2C,O=C1C(OC(=S)N1CC)=C(C)C=C2CCCN2C,"InChI=1/C13H18N2O2S/c1-4-15-12(16)11(17-13(15)18)9(2)8-10-6-5-7-14(10)3/h8H,4-7H2,1-3H3",C13H18N2O2S,,,,,,LEOSWUSPSSGMKS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.384,255-441-3,41563-94-4,1-(2-cyanoethyl)-5-oxo-L-proline,1-(2-cyanoethyl)-5-oxo-L-proline,OC(=O)[C@@H]1CCC(=O)N1CCC#N,OC(=O)[C@@H]1CCC(=O)N1CCC#N,"InChI=1/C8H10N2O3/c9-4-1-5-10-6(8(12)13)2-3-7(10)11/h6H,1-3,5H2,(H,12,13)",C8H10N2O3,,,,,,MISMXAVSVZNOFP-LURJTMIESA-N,,,,,,,,,,,
100.050.386,255-443-4,41573-36-8,"4,4'-(2-chlorobenzylidene)bis[N,N-dimethyl-aniline]","4,4'-[(2-chlorophenyl)methylene]bis(N,N-dimethylaniline)",CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccccc3Cl,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccccc3Cl,"InChI=1/C23H25ClN2/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4/h5-16,23H,1-4H3",C23H25ClN2,,,,,,JPPVTKZGOJUZKN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.391,255-449-7,41583-09-9,"1,3,5-triazine-2,4,6-triamine phosphate","1,3,5-triazine-2,4,6-triamine phosphate",Nc1nc(N)nc(N)n1.OP(O)(=O)O,Nc1nc(N)nc(N)n1.OP(O)(=O)O,"InChI=1/C3H6N6.H3O4P/c4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h(H6,4,5,6,7,8,9);(H3,1,2,3,4)",C3H6N6.xH3O4P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14470,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.391,XFZRQAZGUOTJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.397,255-456-5,41608-64-4,Methyl 4-amino-3-methoxybenzoate,methyl 4-amino-3-methoxybenzoate,COC(=O)c1ccc(N)c(OC)c1,COC(=O)c1ccc(N)c(OC)c1,"InChI=1/C9H11NO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,10H2,1-2H3",C9H11NO3,,,,,,DJLFOMMCQBAMAA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.399,255-458-6,41608-81-5,"N,N'-[ethylenebis(iminoethylene)]bis(2-cyanoacetamide) hydrochloride","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bis(2-cyanoacetamide) hydrochloride",Cl.O=C(CC#N)NCCNCCNCCNC(=O)CC#N,Cl.O=C(CC#N)NCCNCCNCCNC(=O)CC#N,"InChI=1/C12H20N6O2.ClH/c13-3-1-11(19)17-9-7-15-5-6-16-8-10-18-12(20)2-4-14;/h15-16H,1-2,5-10H2,(H,17,19)(H,18,20);1H",C12H20N6O2.xClH,,,,,,XHLORDQHHRSAAV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.400,255-459-1,41610-76-8,"1-(3,4-epoxy-4-methylpentyl)-1-methylallyl acetate","1-[2-(3,3-dimethyloxiran-2-yl)ethyl]-1-methylprop-2-en-1-yl acetate",CC(=O)OC(C)(CCC1OC1(C)C)C=C,CC(=O)OC(C)(CCC1OC1(C)C)C=C,"InChI=1/C12H20O3/c1-6-12(5,14-9(2)13)8-7-10-11(3,4)15-10/h6,10H,1,7-8H2,2-5H3",C12H20O3,,,,,,SVXOLLYBCSDBKK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.402,255-461-2,41611-98-7,3-hydroxy-7-methoxy-N-phenylnaphthalene-2-carboxamide,3-hydroxy-7-methoxy-N-phenyl-2-naphthamide,COc1ccc2cc(O)c(cc2c1)C(=O)Nc3ccccc3,COc1ccc2cc(O)c(cc2c1)C(=O)Nc3ccccc3,"InChI=1/C18H15NO3/c1-22-15-8-7-12-11-17(20)16(10-13(12)9-15)18(21)19-14-5-3-2-4-6-14/h2-11,20H,1H3,(H,19,21)",C18H15NO3,,,,,,NMOUGHCHKXXTRY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.407,255-467-5,41622-04-2,N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]acetamide,N-{5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl}acetamide,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O,"InChI=1/C21H23BrN6O5/c1-14(29)24-20-12-16(27(6-8-32-2)7-9-33-3)4-5-19(20)25-26-21-15(13-23)10-17(28(30)31)11-18(21)22/h4-5,10-12H,6-9H2,1-3H3,(H,24,29)",C21H23BrN6O5,,,,,,IMTYOCTYFKYQBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.214,257-453-4,51826-90-5,(3-bromopropyl)trimethoxysilane,(3-bromopropyl)(trimethoxy)silane,CO[Si](CCCBr)(OC)OC,CO[Si](CCCBr)(OC)OC,"InChI=1/C6H15BrO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3",C6H15BrO3Si,,,,,,GLISZRPOUBOZDL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.222,257-462-3,51833-36-4,Chloro(p-chlorophenyl)magnesium,chloro(4-chlorophenyl)magnesium,Cl[Mg]c1ccc(Cl)cc1,Cl[Mg]c1ccc(Cl)cc1,InChI=1/C6H4Cl.ClH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1/rC6H4Cl2Mg/c7-5-1-3-6(9-8)4-2-5/h1-4H,C6H4Cl2Mg,,,,,,QCQYNYWXPHCAAZ-UHFFFAOYSA-M,,,,,,,,,,,
100.052.224,257-464-4,51838-10-9,4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]-7-(methylamino)naphthalene-2-sulphonic acid,4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(methylamino)naphthalene-2-sulfonic acid,COc3ccc(N=Nc2c(cc1cc(NC)ccc1c2O)S(O)(=O)=O)c(c3)S(O)(=O)=O,COc3ccc(N=Nc2c(cc1cc(NC)ccc1c2O)S(O)(=O)=O)c(c3)S(O)(=O)=O,"InChI=1/C18H17N3O8S2/c1-19-11-3-5-13-10(7-11)8-16(31(26,27)28)17(18(13)22)21-20-14-6-4-12(29-2)9-15(14)30(23,24)25/h3-9,19,22H,1-2H3,(H,23,24,25)(H,26,27,28)",C18H17N3O8S2,,,,,,QGFCDQHZQAEFLA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.231,257-472-8,51851-36-6,Bis(2-hydroxypropyl) azelate,bis(2-hydroxypropyl) azelaate,CC(O)COC(=O)CCCCCCCC(=O)OCC(C)O,CC(O)COC(=O)CCCCCCCC(=O)OCC(C)O,"InChI=1/C15H28O6/c1-12(16)10-20-14(18)8-6-4-3-5-7-9-15(19)21-11-13(2)17/h12-13,16-17H,3-11H2,1-2H3",C15H28O6,,,,,,HILXNQDVXRHFJW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.234,257-475-4,51855-90-4,Aniline oxalate,aniline oxalate,Nc1ccccc1.OC(=O)C(=O)O,Nc1ccccc1.OC(=O)C(=O)O,"InChI=1/C6H7N.C2H2O4/c7-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5H,7H2;(H,3,4)(H,5,6)",C6H7N.xC2H2O4,,,,,,VQNRMLCRMNVBBP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.925,252-733-2,35795-17-6,"2-hydroxy-2-methylpropyl 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate monohydrochloride","2-hydroxy-2-methylpropyl 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate hydrochloride",Cl.COc1cc2c(N)nc(nc2c(OC)c1OC)N3CCN(CC3)C(=O)OCC(C)(C)O,Cl.COc1cc2c(N)nc(nc2c(OC)c1OC)N3CCN(CC3)C(=O)OCC(C)(C)O,"InChI=1/C20H29N5O6.ClH/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5;/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23);1H",C20H29N5O6.ClH,,,,,,KJZWJYNJYOFTNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.929,252-737-4,35812-01-2,"2-bromo-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","2-bromo-1,2-benzisothiazol-3(2H)-one 1,1-dioxide",BrN1C(=O)c2ccccc2S1(=O)=O,BrN1C(=O)c2ccccc2S1(=O)=O,"InChI=1/C7H4BrNO3S/c8-9-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H",C7H4BrNO3S,,,,,,QRADPXNAURXMSB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.740,254-733-8,39981-05-0,"2-[2-[(3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzoselenazolium","3-(2-{2-[(3-ethyl-5-methyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5,6-dimethyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4[se]c3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4[se]c3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC,-,C27H32N2O3SSe2,,,,,,QFOXRTGRFWMXTE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.741,254-734-3,39986-37-3,"2,4-dimethyl-2-oxazoline-4-methanol","(2,4-dimethyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CC1=NC(C)(CO)CO1,CC1=NC(C)(CO)CO1,"InChI=1/C6H11NO2/c1-5-7-6(2,3-8)4-9-5/h8H,3-4H2,1-2H3",C6H11NO2,,,,,,YWLSGHOSSUXBJK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.746,254-740-6,39998-81-7,2-fluoro-4-iodotoluene,2-fluoro-4-iodo-1-methylbenzene,Cc1ccc(I)cc1F,Cc1ccc(I)cc1F,"InChI=1/C7H6FI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3",C7H6FI,,,,,,QZLWTFTXGKKCHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.747,254-741-1,39999-42-3,"1,4-anhydroribitol","1,4-anhydro-D-ribitol",OC[C@H]1OC[C@H](O)[C@@H]1O,OC[C@H]1OC[C@H](O)[C@@H]1O,"InChI=1/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2",C5H10O4,,,,,,KZVAAIRBJJYZOW-LMVFSUKVSA-N,,,,,,,,,,,
100.049.748,254-742-7,40000-20-2,"5-bromo-1,10-phenanthroline","5-bromo-1,10-phenanthroline",Brc1cc2cccnc2c3ncccc13,Brc1cc2cccnc2c3ncccc13,InChI=1/C12H7BrN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,C12H7BrN2,,,,,,GWKGPQCKIBRXGW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.253,256-397-8,49607-21-8,"2,4-dinitro-3-phenyl-L-alanine","2,4-dinitrophenylalanine",NC(Cc1ccc(cc1N(=O)=O)N(=O)=O)C(=O)O,NC(Cc1ccc(cc1N(=O)=O)N(=O)=O)C(=O)O,"InChI=1/C9H9N3O6/c10-7(9(13)14)3-5-1-2-6(11(15)16)4-8(5)12(17)18/h1-2,4,7H,3,10H2,(H,13,14)",C9H9N3O6,,,,,,LLVUHQYJZJUDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.260,256-404-4,49628-34-4,2-thiothenoic acid,thiophene-2-carbothioic S-acid,SC(=O)c1cccs1,SC(=O)c1cccs1,"InChI=1/C5H4OS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)",C5H4OS2,,,,,,JOCRHSHXHVVIFS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.268,256-413-3,49655-73-4,"7-methyl-1,8-naphthyridin-4(1H)-one","7-methyl-1,8-naphthyridin-4(1H)-one",Cc1ccc2C(=O)C=CNc2n1,Cc1ccc2C(=O)C=CNc2n1,"InChI=1/C9H8N2O/c1-6-2-3-7-8(12)4-5-10-9(7)11-6/h2-5H,1H3,(H,10,11,12)",C9H8N2O,,,,,,JVJJTRYGAHJGAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.269,256-414-9,49658-24-4,2-[[4-(phenylmethyl)phenyl]methyl]anthraquinone,"2-(4-benzylbenzyl)-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3cc(Cc4ccc(Cc5ccccc5)cc4)ccc13,O=C1c2ccccc2C(=O)c3cc(Cc4ccc(Cc5ccccc5)cc4)ccc13,"InChI=1/C28H20O2/c29-27-23-8-4-5-9-24(23)28(30)26-18-22(14-15-25(26)27)17-21-12-10-20(11-13-21)16-19-6-2-1-3-7-19/h1-15,18H,16-17H2",C28H20O2,,,,,,YEQYGMGQQWXARK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.275,256-421-7,49667-81-4,2-amino-N-(2-hydroxyethyl)benzamide,2-amino-N-(2-hydroxyethyl)benzamide,Nc1ccccc1C(=O)NCCO,Nc1ccccc1C(=O)NCCO,"InChI=1/C9H12N2O2/c10-8-4-2-1-3-7(8)9(13)11-5-6-12/h1-4,12H,5-6,10H2,(H,11,13)",C9H12N2O2,,,,,,TWRJRCKCJRVPKH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.277,256-423-8,49669-74-1,[S-(E)]-2-amino-4-(2-aminoethoxy)-3-butenoic acid,2-amino-4-(2-aminoethoxy)but-3-enoic acid,N[C@@H](C=COCCN)C(O)=O,N[C@@H](C=COCCN)C(O)=O,"InChI=1/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)",C6H12N2O3,,,,,,USGUVNUTPWXWBA-YFKPBYRVSA-N,,,,,,,,,,,
100.051.278,256-424-3,49673-70-3,"7-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decane","7-tert-butyl-1,4-dioxaspiro[4.5]decane",CC(C)(C)C1CCCC2(C1)OCCO2,CC(C)(C)C1CCCC2(C1)OCCO2,"InChI=1/C12H22O2/c1-11(2,3)10-5-4-6-12(9-10)13-7-8-14-12/h10H,4-9H2,1-3H3",C12H22O2,,,,,,NPSDJGXZMLTNLN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.279,256-425-9,49673-81-6,"L-lysine, compound with S-(carboxymethyl)-L-cysteine (1:1)",N-(carboxymethyl)-L-cysteine - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)CN[C@@H](CS)C(=O)O,NCCCC[C@H](N)C(=O)O.OC(=O)CN[C@@H](CS)C(=O)O,"InChI=1/C6H14N2O2.C5H9NO4S/c7-4-2-1-3-5(8)6(9)10;7-4(8)1-6-3(2-11)5(9)10/h5H,1-4,7-8H2,(H,9,10);3,6,11H,1-2H2,(H,7,8)(H,9,10)",C6H14N2O2.C5H9NO4S,,,,,,CAFFDLLCCJSANI-RVZXSAGBSA-N,,,,,,,,,,,
100.051.280,256-426-4,49676-83-7,"Cobalt bis(3,5,5-trimethylhexanoate)","cobalt(2+) bis(3,5,5-trimethylhexanoate)",[Co+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,[Co+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/2C9H18O2.Co/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Co,,,,,,CQQXUVXKYNCVQK-UHFFFAOYSA-L,,,,,,,,,,,
100.047.844,252-644-9,35615-72-6,"3-(ethoxycarbonyl)-6,7,8,9-tetrahydro-1,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidinium","3-(ethoxycarbonyl)-1,6-dimethyl-4-oxo-1,4,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-5-ium",CCOC(=O)C1=CN(C)C2=[N+](C(C)CCC2)C1=O,CCOC(=O)C1=CN(C)C2=[N+](C(C)CCC2)C1=O,"InChI=1/C13H19N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h8-9H,4-7H2,1-3H3/q+1",C13H19N2O3,,,,,,JOWRFSPJFXLGGY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.848,252-649-6,35632-99-6,"4,4'-bis[[6-anilino-4-(methylamino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis(5-{[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]amino}benzenesulfonic acid)",CNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,CNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,"InChI=1/C34H32N12O6S2/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46)",C34H32N12O6S2,,,,,,VSNAWXHIKBJFHM-BUHFOSPRSA-N,,,,,,,,,,,
100.047.849,252-650-1,35636-63-6,"Dimethyl 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]terephthalate","dimethyl 2-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)terephthalate",COC(=O)c3cc(N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1)c(cc3)C(=O)OC,COC(=O)c3cc(N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1)c(cc3)C(=O)OC,"InChI=1/C21H19N5O7/c1-10(27)17(18(28)22-12-5-7-14-16(9-12)24-21(31)23-14)26-25-15-8-11(19(29)32-2)4-6-13(15)20(30)33-3/h4-9,17H,1-3H3,(H,22,28)(H2,23,24,31)",C21H19N5O7,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11018,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.849,KEZJTZQNDCLRDB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.852,252-653-8,35648-29-4,"6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium iodide","6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium iodide",[I-].CN(C)c1ccc2c(ccc(\\C=C\\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,[I-].CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,"InChI=1/C26H28N3.HI/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;/h6-18H,1-5H3;1H/q+1;/p-1",C26H28N3.I,,,,,,FAKBASFGECRACB-UHFFFAOYSA-M,,,,,,,,,,,
100.047.853,252-654-3,35650-01-2,"Methyl 7-[4-[(2-cyano-4-nitrophenyl)azo]phenyl]-3-oxo-2,4,10-trioxa-7-azaundecan-11-oate","({4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl dimethyl biscarbonate",COC(=O)OCCN(CCOC(=O)OC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,COC(=O)OCCN(CCOC(=O)OC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C21H21N5O8/c1-31-20(27)33-11-9-25(10-12-34-21(28)32-2)17-5-3-16(4-6-17)23-24-19-8-7-18(26(29)30)13-15(19)14-22/h3-8,13H,9-12H2,1-2H3",C21H21N5O8,,,,,,GTHNVSHMWNWRTL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.858,252-660-6,35661-39-3,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-alanine,C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)",C18H17NO4,,,,,,QWXZOFZKSQXPDC-NSHDSACASA-N,,,,,,,,,,,
100.047.861,252-663-2,35670-93-0,"(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate","(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate",CC(=O)OCC1=CCC2CC1C2(C)C,CC(=O)OCC1=CCC2CC1C2(C)C,"InChI=1/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3",C12H18O2,,,,,,BKATZVAUANSCKN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.869,252-672-1,35675-86-6,Methyltrioctylammonium iodide,"N-methyl-N,N-dioctyloctan-1-aminium iodide",[I-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC,[I-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC,"InChI=1/C25H54N.HI/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1",C25H54N.I,,,,,,AMUCTDNDAXEAOW-UHFFFAOYSA-M,,,,,,,,,,,
100.049.375,254-332-8,39179-00-5,N-ethyl-6-methylpyridin-2-amine,N-ethyl-6-methylpyridin-2-amine,CCNc1cccc(C)n1,CCNc1cccc(C)n1,"InChI=1/C8H12N2/c1-3-9-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,9,10)",C8H12N2,,,,,,ZUCJRARGRJUOMC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.376,254-333-3,39181-94-7,3-ethoxy-3-oxopropyl acrylate,3-ethoxy-3-oxopropyl acrylate,CCOC(=O)CCOC(=O)C=C,CCOC(=O)CCOC(=O)C=C,"InChI=1/C8H12O4/c1-3-7(9)12-6-5-8(10)11-4-2/h3H,1,4-6H2,2H3",C8H12O4,,,,,,CNNNZKXVTFMUKF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.378,254-335-4,39185-82-5,"1,1,3,3-tetrachlorobutane","1,1,3,3-tetrachlorobutane",CC(Cl)(Cl)CC(Cl)Cl,CC(Cl)(Cl)CC(Cl)Cl,"InChI=1/C4H6Cl4/c1-4(7,8)2-3(5)6/h3H,2H2,1H3",C4H6Cl4,,,,,,NGAUWAOLBDDRKB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.380,254-338-0,39186-68-0,"2-carboxyethylbis(2-hydroxyethyl)-3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-oxooctyl)amino]propylammonium hydroxide","N-(2-carboxyethyl)-N,N-bis(2-hydroxyethyl)-3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]propan-1-aminium hydroxide",[OH-].OCC[N+](CCO)(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)O,[OH-].OCC[N+](CCO)(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)O,"InChI=1/C18H21F15N2O5.H2O/c19-12(20,11(40)34-3-1-4-35(6-8-36,7-9-37)5-2-10(38)39)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33;/h36-37H,1-9H2,(H-,34,38,39,40);1H2",C18H21F15N2O5,,,,,,QWXFQEDOSLXNLW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.914,256-024-9,42966-04-1,"N-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethyl]ethylenediamine","N-[2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCCCCCC1=NCCN1CCNCCN,CCCCCCCCCCCC1=NCCN1CCNCCN,"InChI=1/C18H38N4/c1-2-3-4-5-6-7-8-9-10-11-18-21-15-17-22(18)16-14-20-13-12-19/h20H,2-17,19H2,1H3",C18H38N4,,,,,,SPRVNAMHCBVRJW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.917,256-028-0,42971-09-5,Vinpocetine,ethyl eburnamenine-14-carboxylate,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c5ccccc45,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c5ccccc45,"InChI=1/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3",C22H26N2O2,,,,,,DDNCQMVWWZOMLN-IRLDBZIGSA-N,,,,,,,,,,,
100.050.927,256-039-0,42986-15-2,5-[[4-(methylamino)phenyl]azo]-2-[2-(4-nitro-2-sulphophenyl)vinyl]benzenesulphonic acid,5-{[4-(methylamino)phenyl]diazenyl}-2-[2-(4-nitro-2-sulfophenyl)vinyl]benzenesulfonic acid,[O-][N+](=O)c3ccc(/C=C/c2ccc(N=Nc1ccc(NC)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O,[O-][N+](=O)c3ccc(/C=C/c2ccc(N=Nc1ccc(NC)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O,"InChI=1/C21H18N4O8S2/c1-22-16-7-9-17(10-8-16)23-24-18-6-4-14(20(12-18)34(28,29)30)2-3-15-5-11-19(25(26)27)13-21(15)35(31,32)33/h2-13,22H,1H3,(H,28,29,30)(H,31,32,33)",C21H18N4O8S2,,,,,,TVQLAFZNHARCJW-DSVPZXLOSA-N,,,,,,,,,,,
100.050.938,256-051-6,43036-06-2,3-(pyrrol-1-yl)propiononitrile,3-(1H-pyrrol-1-yl)propanenitrile,N#CCCn1cccc1,N#CCCn1cccc1,"InChI=1/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2",C7H8N2,,,,,,IYOLJLGYJMJLSU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.941,256-054-2,43038-45-5,1-naphthohydrazide,1-naphthohydrazide,NNC(=O)c1cccc2ccccc12,NNC(=O)c1cccc2ccccc12,"InChI=1/C11H10N2O/c12-13-11(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,14)",C11H10N2O,,,,,,VMFUMDXVTKTZQY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.943,256-056-3,43040-01-3,"3-methyl-1,2,4-trithiane","3-methyl-1,2,4-trithiane",CC1SCCSS1,CC1SCCSS1,"InChI=1/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3",C4H8S3,,,,,,UXPUEXDAOSQIQS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.945,256-058-4,43042-33-7,"4,4'-dimethoxy[bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetraone","4,4'-dimethoxy-1,1'-bi(cyclohexa-1,4-dien-1-yl)-3,3',6,6'-tetrone",COC1=CC(=O)C(=CC1=O)C2=CC(=O)C(=CC2=O)OC,COC1=CC(=O)C(=CC1=O)C2=CC(=O)C(=CC2=O)OC,"InChI=1/C14H10O6/c1-19-13-5-9(15)7(3-11(13)17)8-4-12(18)14(20-2)6-10(8)16/h3-6H,1-2H3",C14H10O6,,,,,,LWLDSDSFXSSEQR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.946,256-060-5,43043-77-2,Ammonium copper(1+) diacetate,ammonium copper(1+) diacetate,[NH4+].[Cu+].CC(=O)[O-].CC(=O)[O-],[NH4+].[Cu+].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Cu.H3N/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H3/q;;+1;/p-1",C2H4O2.1/2Cu.1/2H3N,,,,,,PCUXAGHYTREZMN-UHFFFAOYSA-M,,,,,,,,,,,
100.053.338,258-691-1,53666-79-8,3-amino-1H-pyrazol-5-ol,3-amino-1H-pyrazol-5-ol,Nc1cc(O)[nH]n1,Nc1cc(O)[nH]n1,"InChI=1/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)",C3H5N3O,,,,,,QZBGOTVBHYKUDS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.342,258-695-3,53678-20-9,(E)-3-decenoic acid,dec-3-enoic acid,CCCCCC\\C=C\\CC(=O)O,CCCCCC\C=C\CC(=O)O,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)",C10H18O2,,,,,,CPVUNKGURQKKKX-BQYQJAHWSA-N,,,,,,,,,,,
100.053.352,258-707-7,53704-10-2,"2,2'-(ethylenediimino)dibutanol dihydrochloride","2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol dihydrochloride",Cl.Cl.CCC(CO)NCCNC(CC)CO,Cl.Cl.CCC(CO)NCCNC(CC)CO,"InChI=1/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H",C10H24N2O2.2ClH,,,,,,AUAHHJJRFHRVPV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.353,258-708-2,53705-85-4,Ammonium O-methyl acetylthiophosphoramidate,ammonium O-methyl acetylthiophosphoramidate,[NH4+].COP(=O)([O-])NSC(=O)C,[NH4+].COP(=O)([O-])NSC(=O)C,"InChI=1/C3H8NO4PS.H3N/c1-3(5)10-4-9(6,7)8-2;/h1-2H3,(H2,4,6,7);1H3",C3H8NO3PS.H3N,,,,,,QINQPYPXRWXLEI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.358,258-714-5,53716-50-0,Oxfendazole,methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)c3ccccc3,COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)c3ccccc3,"InChI=1/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",C15H13N3O3S,,,,,,BEZZFPOZAYTVHN-UHFFFAOYSA-N,Positive,AU106501|AU106502|AU106503|AU106504|AU106505,[M+H]+,CID10|CID20|CID30|CID40|CID50,316.0746:317.0779:318.0731|316.075:191.0685:284.0488|159.0417:191.0687:267.0459|159.0422:191.0325:267.0468|159.0421:266.0382:191.0323,Athens_Univ,,,,,
100.053.364,258-720-8,53718-32-4,"1,3,3-trimethyl-1-phenylindan-5-ol","1,3,3-trimethyl-1-phenylindan-5-ol",CC1(C)CC(C)(c2ccccc2)c3ccc(O)cc13,CC1(C)CC(C)(c2ccccc2)c3ccc(O)cc13,"InChI=1/C18H20O/c1-17(2)12-18(3,13-7-5-4-6-8-13)15-10-9-14(19)11-16(15)17/h4-11,19H,12H2,1-3H3",C18H20O,,,,,,XCRNADHTKBRCAN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.365,258-721-3,53718-33-5,"2',3'-dihydro-3',3'-dimethylspiro[cyclohexane-1,1'-[1H]indene]-5'-ol","3',3'-dimethyl-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-5'-ol",CC1(C)CC2(CCCCC2)c3ccc(O)cc13,CC1(C)CC2(CCCCC2)c3ccc(O)cc13,"InChI=1/C16H22O/c1-15(2)11-16(8-4-3-5-9-16)13-7-6-12(17)10-14(13)15/h6-7,10,17H,3-5,8-9,11H2,1-2H3",C16H22O,,,,,,FVHTZOXYTGZSNE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.368,258-725-5,53718-37-9,"1,2,3,6,7,8-hexahydro-1,1,3,3,6,6,8,8-octamethyl-as-indacen-4-ol","1,1,3,3,6,6,8,8-octamethyl-1,2,3,6,7,8-hexahydro-as-indacen-4-ol",CC1(C)CC(C)(C)c2c1cc(O)c3c2C(C)(C)CC3(C)C,CC1(C)CC(C)(C)c2c1cc(O)c3c2C(C)(C)CC3(C)C,"InChI=1/C20H30O/c1-17(2)10-18(3,4)14-12(17)9-13(21)15-16(14)20(7,8)11-19(15,5)6/h9,21H,10-11H2,1-8H3",C20H30O,,,,,,QZWNGYFKEJRJAG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.236,257-478-0,51856-79-2,Methyl 1-methylpyrrol-2-acetate,methyl (1-methyl-1H-pyrrol-2-yl)acetate,COC(=O)Cc1cccn1C,COC(=O)Cc1cccn1C,"InChI=1/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3",C8H11NO2,,,,,,CGYVDYLHQYNGFC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.237,257-479-6,51858-17-4,"Dipotassium dihydrogen 4-[5-[3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","dipotassium dihydrogen 4-{5-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate",[H+].[H+].[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C([O-])=O)c(C=CC=CC=C3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c4O,[H+].[H+].[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C([O-])=O)c(C=CC=CC=C3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c4O,"InChI=1/C25H18N4O12S2.2K.2H2/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41;;;;/h1-13,30H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;;2*1H/q;4*+1/p-4",C25H18N4O12S2.2K,,,,,,JQARXPHCHCHRBV-UHFFFAOYSA-L,,,,,,,,,,,
100.052.238,257-480-1,51863-60-6,"1-(3,5-dihydroxyphenyl)ethan-1-one","1-(3,5-dihydroxyphenyl)ethanone",CC(=O)c1cc(O)cc(O)c1,CC(=O)c1cc(O)cc(O)c1,"InChI=1/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3",C8H8O3,,,,,,WQXWIKCZNIGMAP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.245,257-488-5,51868-96-3,Diethyl (pyrrolidin-1-ylmethyl)phosphonate,diethyl (pyrrolidin-1-ylmethyl)phosphonate,CCOP(=O)(CN1CCCC1)OCC,CCOP(=O)(CN1CCCC1)OCC,"InChI=1/C9H20NO3P/c1-3-12-14(11,13-4-2)9-10-7-5-6-8-10/h3-9H2,1-2H3",C9H20NO3P,,,,,,DOMZGECNJWVKAM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.246,257-489-0,51872-26-5,"1,3-[bis(methoxymethyl)]thiourea","1,3-bis(methoxymethyl)thiourea",COCNC(=S)NCOC,COCNC(=S)NCOC,"InChI=1/C5H12N2O2S/c1-8-3-6-5(10)7-4-9-2/h3-4H2,1-2H3,(H2,6,7,10)",C5H12N2O2S,,,,,,HMIFTYSOZMSIFK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.249,257-492-7,51877-53-3,Manganese lactate,manganese(2+) bis(2-hydroxypropanoate),[Mn].OC(=O)C(C)O,[Mn].OC(=O)C(C)O,"InChI=1/C3H6O3.Mn/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+2",C3H6O3.xMn,,,,,,VFJWZSPCRWYSJD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.500,258-869-9,53930-22-6,"2-[2-methoxy-4-(methylthio)phenyl]-1H-imidazo[4,5-b]pyridine monohydrochloride","2-[2-methoxy-4-(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine hydrochloride",Cl.COc1cc(SC)ccc1c2nc3ncccc3[nH]2,Cl.COc1cc(SC)ccc1c2nc3ncccc3[nH]2,"InChI=1/C14H13N3OS.ClH/c1-18-12-8-9(19-2)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13;/h3-8H,1-2H3,(H,15,16,17);1H",C14H13N3OS.ClH,,,,,,UNIWZWQHMHLZSG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.501,258-870-4,53930-42-0,"2-[2-methoxy-4-(methylsulphinyl)phenyl]-1H-imidazo[4,5-b]pyridine monohydrochloride","2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-b]pyridine hydrochloride",Cl.COc1cc(ccc1c2nc3ncccc3[nH]2)S(=O)C,Cl.COc1cc(ccc1c2nc3ncccc3[nH]2)S(=O)C,"InChI=1/C14H13N3O2S.ClH/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13;/h3-8H,1-2H3,(H,15,16,17);1H",C14H13N3O2S.ClH,,,,,,BPBGMZMGLZCRCK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.122,255-153-8,40948-32-1,(3-amino-4-methoxybenzyl)bis[3-(formylamino)propyl]methylammonium chloride,N-(3-amino-4-methoxybenzyl)-3-formamido-N-(3-formamidopropyl)-N-methylpropan-1-aminium chloride,[Cl-].COc1ccc(C[N+](C)(CCCNC=O)CCCNC=O)cc1N,[Cl-].COc1ccc(C[N+](C)(CCCNC=O)CCCNC=O)cc1N,"InChI=1/C17H28N4O3.ClH/c1-21(9-3-7-19-13-22,10-4-8-20-14-23)12-15-5-6-17(24-2)16(18)11-15;/h5-6,11,13-14H,3-4,7-10,12,18H2,1-2H3,(H-,19,20,22,23);1H",C17H29N4O3.Cl,,,,,,JEYDIXVYLDTKKR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.626,256-808-0,50857-44-8,N-[2-[(2-hydroxyethyl)amino]ethyl]octadecenamide,N-{2-[(2-hydroxyethyl)amino]ethyl}octadec-2-enamide,O=C(NCCNCCO)C=CCCCCCCCCCCCCCCC,O=C(NCCNCCO)C=CCCCCCCCCCCCCCCC,"InChI=1/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h16-17,23,25H,2-15,18-21H2,1H3,(H,24,26)",C22H44N2O2,,,,,,UJAJTVMCLPKTRI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.628,256-810-1,50858-14-5,Methylbutan-1-ol,pentan-2-ol,CCCC(C)O,CCCC(C)O,"InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",C5H12O,,,,,,JYVLIDXNZAXMDK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.634,256-816-4,50868-72-9,5-methoxy-o-toluidine,5-methoxy-2-methylaniline,COc1ccc(C)c(N)c1,COc1ccc(C)c(N)c1,"InChI=1/C8H11NO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,9H2,1-2H3",C8H11NO,,,,,,RPJXLEZOFUNGNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.646,256-830-0,50888-63-6,"2-butyl-3,5-dimethylpyrazine","2-butyl-3,5-dimethylpyrazine",CCCCc1ncc(C)nc1C,CCCCc1ncc(C)nc1C,"InChI=1/C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10/h7H,4-6H2,1-3H3",C10H16N2,,,,,,CSGGOEBNSRAFPU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.647,256-831-6,50891-50-4,Disodium N-(2-carboxylatoethyl)-ß-alaninate,"disodium 3,3'-iminodipropanoate",[Na+].[Na+].[O-]C(=O)CCNCCC(=O)[O-],[Na+].[Na+].[O-]C(=O)CCNCCC(=O)[O-],"InChI=1/C6H11NO4.2Na/c8-5(9)1-3-7-4-2-6(10)11;;/h7H,1-4H2,(H,8,9)(H,10,11);;/q;2*+1/p-2",C6H11NO4.2Na,,,,,,PYKDHVPTPKFRPN-UHFFFAOYSA-L,,,,,,,,,,,
100.051.650,256-834-2,50893-53-3,1-chloroethyl chloroformate,1-chloroethyl chlorocarbonate,CC(Cl)OC(=O)Cl,CC(Cl)OC(=O)Cl,"InChI=1/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3",C3H4Cl2O2,,,,,,QOPVNWQGBQYBBP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.950,256-064-7,43051-43-0,m-benzamidophenyliminodiethyl diacetate,"{[3-(benzoylamino)phenyl]imino}diethane-1,1-diyl diacetate",CC(=O)OC(C)N(C(C)OC(C)=O)c1cc(ccc1)NC(=O)c2ccccc2,CC(=O)OC(C)N(C(C)OC(C)=O)c1cc(ccc1)NC(=O)c2ccccc2,"InChI=1/C21H24N2O5/c1-14(27-16(3)24)23(15(2)28-17(4)25)20-12-8-11-19(13-20)22-21(26)18-9-6-5-7-10-18/h5-15H,1-4H3,(H,22,26)",C21H24N2O5,,,,,,MPHSTPLNWQHZFC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.951,256-065-2,43051-46-3,N-[3-[bis(2-hydroxyethyl)amino]phenyl]benzamide,N-{3-[bis(2-hydroxyethyl)amino]phenyl}benzamide,OCCN(CCO)c1cccc(NC(=O)c2ccccc2)c1,OCCN(CCO)c1cccc(NC(=O)c2ccccc2)c1,"InChI=1/C17H20N2O3/c20-11-9-19(10-12-21)16-8-4-7-15(13-16)18-17(22)14-5-2-1-3-6-14/h1-8,13,20-21H,9-12H2,(H,18,22)",C17H20N2O3,,,,,,OYTLLQHYKCEMGB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.954,256-068-9,43056-63-9,3-amino-5-(4-morpholinomethyl)oxazolidin-2-one,"3-amino-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one",NN1CC(CN2CCOCC2)OC1=O,NN1CC(CN2CCOCC2)OC1=O,"InChI=1/C8H15N3O3/c9-11-6-7(14-8(11)12)5-10-1-3-13-4-2-10/h7H,1-6,9H2",C8H15N3O3,,,,,,TVHAMVOINIHMEX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.956,256-071-5,43064-12-6,"4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride","4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride",Cl.C1CC(=CCN1)c2ccccc2,Cl.C1CC(=CCN1)c2ccccc2,"InChI=1/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H",C11H13N.ClH,,,,,,POGWXTJNUCZEPR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.965,256-080-4,43083-60-9,"cis-(±)-3-formyl-2,2,5-trimethylthiazolidine-4-carboxylic acid","3-formyl-2,2,5-trimethyl-1,3-thiazolidine-4-carboxylic acid",CC1SC(C)(C)N(C=O)C1C(=O)O,CC1SC(C)(C)N(C=O)C1C(=O)O,"InChI=1/C8H13NO3S/c1-5-6(7(11)12)9(4-10)8(2,3)13-5/h4-6H,1-3H3,(H,11,12)",C8H13NO3S,,,,,,GTJVVEBKLSYEKA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.966,256-082-5,43085-97-8,"3-hydroxyestra-1,3,5(10),7-tetraen-17-one 3-acetate","17-oxoestra-1,3,5(10),7-tetraen-3-yl acetate",CC(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)C3=CCc2c1,CC(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)C3=CCc2c1,"InChI=1/C20H22O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4-6,11,16,18H,3,7-10H2,1-2H3",C20H22O3,,,,,,DBXQAPGFWYIOGN-KPFFTGBYSA-N,,,,,,,,,,,
100.050.968,256-084-6,43094-86-6,1-butyl-5-oxopyrrolidine-3-carboxylic acid,1-butyl-5-oxopyrrolidine-3-carboxylic acid,CCCCN1CC(CC1=O)C(=O)O,CCCCN1CC(CC1=O)C(=O)O,"InChI=1/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)",C9H15NO3,,,,,,LLPSQGIRADJCIU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.969,256-085-1,43094-95-7,1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid,1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid,OCCN1CC(CC1=O)C(=O)O,OCCN1CC(CC1=O)C(=O)O,"InChI=1/C7H11NO4/c9-2-1-8-4-5(7(11)12)3-6(8)10/h5,9H,1-4H2,(H,11,12)",C7H11NO4,,,,,,LYORUPRFHVMNOI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.992,256-110-6,43130-12-7,"4,4'-carbonimidoylbis[N,N-diethylaniline] nitrate","4,4'-carbonimidoylbis(N,N-diethylaniline) nitrate",CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC.O[N+](=O)[O-],CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC.O[N+](=O)[O-],"InChI=1/C21H29N3.HNO3/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4;2-1(3)4/h9-16,22H,5-8H2,1-4H3;(H,2,3,4)",C21H29N3.HNO3,,,,,,WNBXUYFVFDUMAU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.263,253-107-1,36563-79-8,"Bis[[tetrahydro-4-hydroxy-3,5,5-tris[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-3-yl]methyl] maleate","bis({4-hydroxy-3,5,5-tris[(stearoyloxy)methyl]tetrahydro-2H-pyran-3-yl}methyl) but-2-enedioate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCCCCCCCCCCCC)COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)\\C=C/C(=O)OCC2(COC(=O)CCCCCCCCCCCCCCCCC)COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)C2O)C1O,CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCCCCCCCCCCCC)COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)\C=C/C(=O)OCC2(COC(=O)CCCCCCCCCCCCCCCCC)COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)C2O)C1O,"InChI=1/C130H240O20/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-117(131)143-109-127(110-144-118(132)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)105-141-107-129(125(127)139,113-147-121(135)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)115-149-123(137)103-104-124(138)150-116-130(114-148-122(136)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)108-142-106-128(126(130)140,111-145-119(133)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)112-146-120(134)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h103-104,125-126,139-140H,7-102,105-116H2,1-6H3",C130H240O20,,,,,,SQIRRMXWVMHVAX-JXNMGTENSA-N,,,,,,,,,,,
100.048.273,253-118-1,36587-93-6,"1,1'-tetramethylenediguanidine sulphate","N,N'''-butane-1,4-diyldiguanidine sulfate",NC(=N)NCCCCNC(=N)N.OS(=O)(=O)O,NC(=N)NCCCCNC(=N)N.OS(=O)(=O)O,"InChI=1/C6H16N6.H2O4S/c7-5(8)11-3-1-2-4-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)",C6H16N6.xH2O4S,,,,,,RWTGFMPOODRXIM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.275,253-120-2,36590-99-5,"1,3-diethyl-5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-2-thioxoimidazolidin-4-one","1,3-diethyl-5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-thioxoimidazolidin-4-one",CCN2CCSC2=CC=C1C(=O)N(CC)C(=S)N1CC,CCN2CCSC2=CC=C1C(=O)N(CC)C(=S)N1CC,"InChI=1/C14H21N3OS2/c1-4-15-9-10-20-12(15)8-7-11-13(18)17(6-3)14(19)16(11)5-2/h7-8H,4-6,9-10H2,1-3H3",C14H21N3OS2,,,,,,XQYIBWCVAHEFAM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.381,254-339-6,39189-74-7,2-heptylidenecyclopentan-1-one,2-heptylidenecyclopentanone,O=C1CCCC1=CCCCCCC,O=C1CCCC1=CCCCCCC,"InChI=1/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3",C12H20O,,,,,,PBNMXJOZTAVFCR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.382,254-340-1,39190-06-2,"3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole","3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)isoxazole",CC1=C(c2onc(C)c2)C(C)(C)CCC1,CC1=C(c2onc(C)c2)C(C)(C)CCC1,"InChI=1/C13H19NO/c1-9-6-5-7-13(3,4)12(9)11-8-10(2)14-15-11/h8H,5-7H2,1-4H3",C13H19NO,,,,,,QVKQFCMMIVRMCV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.385,254-343-8,39191-07-6,3-chloro-N-methylbenzylamine,1-(3-chlorophenyl)-N-methylmethanamine,CNCc1cccc(Cl)c1,CNCc1cccc(Cl)c1,"InChI=1/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3",C8H10ClN,,,,,,ZPNLAQVYPIAHTO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.386,254-344-3,39195-82-9,"3,3-dimethyl-1-(methylthio)butan-2-one oxime","3,3-dimethyl-1-(methylsulfanyl)butan-2-one oxime",CC(C)(C)C(=NO)CSC,CC(C)(C)C(=NO)CSC,"InChI=1/C7H15NOS/c1-7(2,3)6(8-9)5-10-4/h9H,5H2,1-4H3",C7H15NOS,,,,,,WMNXDZQBHMQKLX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.541,256-715-5,50689-17-3,3-chlorofuran,3-chlorofuran,Clc1cocc1,Clc1cocc1,InChI=1/C4H3ClO/c5-4-1-2-6-3-4/h1-3H,C4H3ClO,,,,,,JPPBBGANXNRTBE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.542,256-716-0,50695-81-3,N-(2-carboxyethyl)-N-(1-oxooctadecyl)-ß-alanine,"3,3'-(stearoylimino)dipropanoic acid (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)O,"InChI=1/C24H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25(20-18-23(27)28)21-19-24(29)30/h2-21H2,1H3,(H,27,28)(H,29,30)",C24H45NO5,,,,,,HYHKJBUKZOXUSV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.543,256-717-6,50696-42-9,"Bis(1,1-dimethylpropyl)naphthalene","1,2-bis(1,1-dimethylpropyl)naphthalene",CCC(C)(C)c1ccc2ccccc2c1C(C)(C)CC,CCC(C)(C)c1ccc2ccccc2c1C(C)(C)CC,"InChI=1/C20H28/c1-7-19(3,4)17-14-13-15-11-9-10-12-16(15)18(17)20(5,6)8-2/h9-14H,7-8H2,1-6H3",C20H28,,,,,,IJAPRTGBEXDTEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.544,256-718-1,50696-68-9,Phenylundecanoic acid,2-phenylundecanoic acid,CCCCCCCCCC(C(=O)O)c1ccccc1,CCCCCCCCCC(C(=O)O)c1ccccc1,"InChI=1/C17H26O2/c1-2-3-4-5-6-7-11-14-16(17(18)19)15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14H2,1H3,(H,18,19)",C17H26O2,,,,,,MFFBRYVNFNFSMY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.546,256-720-2,50697-50-2,L-lysine mono[2-(p-chlorophenoxy)-2-methylpropionate],2-(4-chlorophenoxy)-2-methylpropanoic acid - L-lysine (1:1),CC(C)(Oc1ccc(Cl)cc1)C(=O)O.NCCCC[C@H](N)C(=O)O,CC(C)(Oc1ccc(Cl)cc1)C(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C10H11ClO3.C6H14N2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;7-4-2-1-3-5(8)6(9)10/h3-6H,1-2H3,(H,12,13);5H,1-4,7-8H2,(H,9,10)",C10H11ClO3.C6H14N2O2,,,,,,GICOKXUAIACRIF-ZSCHJXSPSA-N,,,,,,,,,,,
100.051.554,256-729-1,50709-35-8,"(2,5-dichlorophenyl)hydrazine monohydrochloride","(2,5-dichlorophenyl)hydrazine hydrochloride",Cl.NNc1cc(Cl)ccc1Cl,Cl.NNc1cc(Cl)ccc1Cl,"InChI=1/C6H6Cl2N2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H",C6H6Cl2N2.ClH,,,,,,RQZTURFFWSJCMT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.557,256-732-8,50712-64-6,Ethyl 2-(4-nitrophenyl)propionate,ethyl 2-(4-nitrophenyl)propanoate,CCOC(=O)C(C)c1ccc(cc1)[N+](=O)[O-],CCOC(=O)C(C)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C11H13NO4/c1-3-16-11(13)8(2)9-4-6-10(7-5-9)12(14)15/h4-8H,3H2,1-2H3",C11H13NO4,,,,,,GMOOHUQPPFJAQB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.560,256-735-4,50723-80-3,"3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, sodium salt",-,[Na+].CC(C)N1C(=O)c2ccccc2NS1(=O)=O,[Na+].CC(C)N1C(=O)c2ccccc2NS1(=O)=O,"InChI=1/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7,11H,1-2H3;/q;+1",C10H12N2O3S.Na,,,,,,VMKAOTWHOHBPLY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.567,256-743-8,50729-78-7,"6-[2-(2-ethyl-4-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine","6-[2-(2-ethyl-4-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine",CCc1nc(C)cn1CCc2nc(N)nc(N)n2,CCc1nc(C)cn1CCc2nc(N)nc(N)n2,"InChI=1/C11H17N7/c1-3-9-14-7(2)6-18(9)5-4-8-15-10(12)17-11(13)16-8/h6H,3-5H2,1-2H3,(H4,12,13,15,16,17)",C11H17N7,,,,,,QKCRGKWVRITBFH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.573,256-750-6,50764-82-4,"4'-(isopropyl)[1,1'-biphenyl]yl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","4'-isopropylbiphenyl-2-yl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",CC(C)c1ccc(cc1)c2ccccc2OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34,CC(C)c1ccc(cc1)c2ccccc2OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34,"InChI=1/C25H20N2O4S/c1-16(2)17-10-12-18(13-11-17)19-6-3-4-8-23(19)31-32(29,30)24-9-5-7-21-20(24)14-15-22(27-26)25(21)28/h3-16H,1-2H3",C25H20N2O4S,,,,,,JUWUIAQZIZUONO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.208,256-348-0,48067-72-7,2-[2-(2-methoxyethoxy)ethoxy]ethyl acrylate,2-[2-(2-methoxyethoxy)ethoxy]ethyl acrylate,COCCOCCOCCOC(=O)C=C,COCCOCCOCCOC(=O)C=C,"InChI=1/C10H18O5/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h3H,1,4-9H2,2H3",C10H18O5,,,,,,NMLCFUMBGQIRJX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.369,258-726-0,53720-80-2,"1,3-bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine","1,3-bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine",Clc1cccc(c1)N2CCN(C2C(Cl)(Cl)Cl)c3cccc(Cl)c3,Clc1cccc(c1)N2CCN(C2C(Cl)(Cl)Cl)c3cccc(Cl)c3,"InChI=1/C16H13Cl5N2/c17-11-3-1-5-13(9-11)22-7-8-23(15(22)16(19,20)21)14-6-2-4-12(18)10-14/h1-6,9-10,15H,7-8H2",C16H13Cl5N2,,,,,,NFQIYHPAGNZAOO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.372,258-729-7,53731-35-4,Manganese diphosphate,manganese(4+) diphosphate,[Mn+4].[O-]P([O-])(=O)OP([O-])([O-])=O,[Mn+4].[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1/Mn.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+4;/p-4",H4O7P2.Mn,,,,,,UBYFFBZTJYKVKP-UHFFFAOYSA-J,,,,,,,,,,,
100.048.253,253-095-8,36542-72-0,[(dibromo-4-methylphenoxy)methyl]oxirane,"2-[(2,3-dibromo-4-methylphenoxy)methyl]oxirane",Cc1ccc(OCC2CO2)c(Br)c1Br,Cc1ccc(OCC2CO2)c(Br)c1Br,"InChI=1/C10H10Br2O2/c1-6-2-3-8(10(12)9(6)11)14-5-7-4-13-7/h2-3,7H,4-5H2,1H3",C10H10Br2O2,,,,,,NXIFLHKNGSUALF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.255,253-097-9,36551-21-0,Sodium O-sec-butyl dithiocarbonate,sodium O-sec-butyl dithiocarbonate,[Na+].CCC(C)OC(=S)[S-],[Na+].CCC(C)OC(=S)[S-],"InChI=1/C5H10OS2.Na/c1-3-4(2)6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1",C5H10OS2.Na,,,,,,LRHOHFCSKBRDFH-UHFFFAOYSA-M,,,,,,,,,,,
100.048.260,253-104-5,36557-22-9,Metomidate hydrochloride,methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate hydrochloride,Cl.COC(=O)c1cncn1C(C)c2ccccc2,Cl.COC(=O)c1cncn1C(C)c2ccccc2,"InChI=1/C13H14N2O2.ClH/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2;/h3-10H,1-2H3;1H",C13H14N2O2.xClH,,,,,,NZEDTZKNEKPBGR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.893,252-698-3,35723-89-8,Triisodecylamine,"8-methyl-N,N-bis(8-methylnonyl)nonan-1-amine",CC(C)CCCCCCCN(CCCCCCCC(C)C)CCCCCCCC(C)C,CC(C)CCCCCCCN(CCCCCCCC(C)C)CCCCCCCC(C)C,"InChI=1/C30H63N/c1-28(2)22-16-10-7-13-19-25-31(26-20-14-8-11-17-23-29(3)4)27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3",C30H63N,,,,,,DLFKJPZBBCZWOO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.900,252-706-5,35737-15-6,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC3c4ccccc4c5ccccc35,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC3c4ccccc4c5ccccc35,"InChI=1/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)",C26H22N2O4,,,,,,MGHMWKZOLAAOTD-DEOSSOPVSA-N,,,,,,,,,,,
100.047.910,252-717-5,35768-36-6,"1,1'-(1,4-cyclohexadiene-1,4-diyl)bisethan-1-one","1,1'-cyclohexa-1,4-diene-1,4-diyldiethanone",CC(=O)C1=CCC(=CC1)C(=O)C,CC(=O)C1=CCC(=CC1)C(=O)C,"InChI=1/C10H12O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3,6H,4-5H2,1-2H3",C10H12O2,,,,,,JRGFOBIHGPTUFT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.911,252-718-0,35771-46-1,"2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione, sodium salt",-,[Na+].OC1=C(Cl)C(=O)C(=C(Cl)C1=O)O,[Na+].OC1=C(Cl)C(=O)C(=C(Cl)C1=O)O,"InChI=1/C6H2Cl2O4.Na/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+1",C6H2Cl2O4.xNa,,,,,,DPIOOWFDSYUDRP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.914,252-721-7,35773-42-3,3-(benzoxazol-2-yl)-7-(diethylamino)-2-benzopyrone,"3-(1,3-benzoxazol-2-yl)-7-(diethylamino)-2H-chromen-2-one",CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccccc4n3,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccccc4n3,"InChI=1/C20H18N2O3/c1-3-22(4-2)14-10-9-13-11-15(20(23)25-18(13)12-14)19-21-16-7-5-6-8-17(16)24-19/h5-12H,3-4H2,1-2H3",C20H18N2O3,,,,,,UJOQSHCJYVRZKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.919,252-726-4,35788-00-2,Dicopper sulphite,dicopper(1+) sulfite,[Cu+].[Cu+].[O-]S(=O)[O-],[Cu+].[Cu+].[O-]S(=O)[O-],"InChI=1/2Cu.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",Cu.1/2H2O3S,,,,,,RPJAQOVNRDOGAY-UHFFFAOYSA-L,,,,,,,,,,,
100.047.924,252-732-7,35795-16-5,Trimazosin,"2-hydroxy-2-methylpropyl 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate",COc1cc2c(N)nc(nc2c(OC)c1OC)N3CCN(CC3)C(=O)OCC(C)(C)O,COc1cc2c(N)nc(nc2c(OC)c1OC)N3CCN(CC3)C(=O)OCC(C)(C)O,"InChI=1/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)",C20H29N5O6,,,,,,YNZXWQJZEDLQEG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.739,254-732-2,39981-04-9,"2-[2-[[5-bromo-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium","3-[5-bromo-2-{2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate",CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1ccc(Br)cc1N2CCCS([O-])(=O)=O,CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1ccc(Br)cc1N2CCCS([O-])(=O)=O,"InChI=1/C26H29BrN2O3S3/c1-5-19(14-25-28(6-2)21-12-17(3)18(4)13-24(21)34-25)15-26-29(10-7-11-35(30,31)32)22-16-20(27)8-9-23(22)33-26/h8-9,12-16H,5-7,10-11H2,1-4H3",C26H29BrN2O3S3,,,,,,SIWBZPYXOLAGLL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.744,254-738-5,39994-75-7,Methyl L-threoninate hydrochloride,methyl L-threoninate hydrochloride,Cl.COC(=O)[C@@H](N)C(C)O,Cl.COC(=O)[C@@H](N)C(C)O,"InChI=1/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H",C5H11NO3.ClH,,,,,,OZSJLLVVZFTDEY-LXNQBTANSA-N,,,,,,,,,,,
100.051.657,256-842-6,50910-68-4,Calcium 4-dodecylphenolate,calcium bis(4-dodecylphenolate),[Ca+2].CCCCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCCCc2ccc([O-])cc2,[Ca+2].CCCCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCCCc2ccc([O-])cc2,"InChI=1/2C18H30O.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17;/h2*13-16,19H,2-12H2,1H3;/q;;+2/p-2",C18H30O.1/2Ca,,,,,,JPOLXALETSGQNT-UHFFFAOYSA-L,,,,,,,,,,,
100.051.661,256-846-8,50917-69-6,Isopentyl nicotinate,3-methylbutyl nicotinate,CC(C)CCOC(=O)c1cccnc1,CC(C)CCOC(=O)c1cccnc1,"InChI=1/C11H15NO2/c1-9(2)5-7-14-11(13)10-4-3-6-12-8-10/h3-4,6,8-9H,5,7H2,1-2H3",C11H15NO2,,,,,,AEXUAOSTRZAKRT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.483,258-851-0,53896-07-4,"2-ethyl-2-[[(2-methyl-1-oxopentadecyl)oxy]methyl]propane-1,3-diyl bis(2-methylpentadecanoate)","2,2-bis{[(2-methylpentadecanoyl)oxy]methyl}butyl 2-methylpentadecanoate (non-preferred name)",CCCCCCCCCCCCCC(C)C(=O)OCC(CC)(COC(=O)C(C)CCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(C)C(=O)OCC(CC)(COC(=O)C(C)CCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCC,"InChI=1/C54H104O6/c1-8-12-15-18-21-24-27-30-33-36-39-42-48(5)51(55)58-45-54(11-4,46-59-52(56)49(6)43-40-37-34-31-28-25-22-19-16-13-9-2)47-60-53(57)50(7)44-41-38-35-32-29-26-23-20-17-14-10-3/h48-50H,8-47H2,1-7H3",C54H104O6,,,,,,HGLWYROWDXYWKC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.490,258-858-9,53911-68-5,"4-(4-chlorophenyl)dihydro-2H-pyran-2,6(3H)-dione","4-(4-chlorophenyl)dihydro-2H-pyran-2,6(3H)-dione",Clc1ccc(cc1)C2CC(=O)OC(=O)C2,Clc1ccc(cc1)C2CC(=O)OC(=O)C2,"InChI=1/C11H9ClO3/c12-9-3-1-7(2-4-9)8-5-10(13)15-11(14)6-8/h1-4,8H,5-6H2",C11H9ClO3,,,,,,OCZRLOJECISNAO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.491,258-859-4,53914-83-3,"3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene","3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene",C1COCCOCc2cccc(COCCOCCO1)c2,C1COCCOCc2cccc(COCCOCCO1)c2,"InChI=1/C16H24O5/c1-2-15-12-16(3-1)14-21-11-9-19-7-5-17-4-6-18-8-10-20-13-15/h1-3,12H,4-11,13-14H2",C16H24O5,,,,,,CCTXQZRVMJXSIR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.492,258-861-5,53915-72-3,"2,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine","2,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine",CC(C)(C)CC(C)(C)c1ccc2Sc3cc(ccc3Nc2c1)C(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)c1ccc2Sc3cc(ccc3Nc2c1)C(C)(C)CC(C)(C)C,"InChI=1/C28H41NS/c1-25(2,3)17-27(7,8)19-12-14-23-22(15-19)29-21-13-11-20(16-24(21)30-23)28(9,10)18-26(4,5)6/h11-16,29H,17-18H2,1-10H3",C28H41NS,,,,,,ZXHLKLXHFDXLCW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.493,258-862-0,53918-03-9,"Sodium 2,3-dihydro-2-thioxo-1H-benzimidazole-5-sulphonate","sodium 2-thioxo-2,3-dihydro-1H-benzimidazole-5-sulfonate",[Na+].[O-]S(=O)(=O)c1ccc2NC(=S)Nc2c1,[Na+].[O-]S(=O)(=O)c1ccc2NC(=S)Nc2c1,"InChI=1/C7H6N2O3S2.Na/c10-14(11,12)4-1-2-5-6(3-4)9-7(13)8-5;/h1-3H,(H2,8,9,13)(H,10,11,12);/q;+1/p-1",C7H6N2O3S2.Na,,,,,,AMZPPWFHMNMIEI-UHFFFAOYSA-M,,,,,,,,,,,
100.053.495,258-864-1,53924-03-1,N-cyclohexyl-1H-indole-3-methylamine,N-(1H-indol-3-ylmethyl)cyclohexanamine,C(NC1CCCCC1)c2c[nH]c3ccccc23,C(NC1CCCCC1)c2c[nH]c3ccccc23,"InChI=1/C15H20N2/c1-2-6-13(7-3-1)16-10-12-11-17-15-9-5-4-8-14(12)15/h4-5,8-9,11,13,16-17H,1-3,6-7,10H2",C15H20N2,,,,,,MAMUGDCJLAKCPT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.625,253-507-6,37447-61-3,"2,3-epoxy-2-methylpropiononitrile",2-methyloxirane-2-carbonitrile,CC1(CO1)C#N,CC1(CO1)C#N,"InChI=1/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3",C4H5NO,,,,,,LVEMNYRWPAJPPV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.632,253-514-4,37466-21-0,L-arginine monoacetylsalicylate,2-acetoxybenzoic acid - L-arginine (1:1),O=C(C)Oc1ccccc1C(O)=O.NC(=N)NCCC[C@H](N)C(O)=O,O=C(C)Oc1ccccc1C(O)=O.NC(=N)NCCC[C@H](N)C(O)=O,"InChI=1/C9H8O4.C6H14N4O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4(5(11)12)2-1-3-10-6(8)9/h2-5H,1H3,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C9H8O4.C6H14N4O2,,,,,,FXXXGQLMXDIPQA-VWMHFEHESA-N,,,,,,,,,,,
100.048.636,253-519-1,37475-88-0,Ammonium cumenesulphonate,ammonium 2-isopropylbenzenesulfonate,[NH4+].CC(C)c1ccccc1S(=O)(=O)[O-],[NH4+].CC(C)c1ccccc1S(=O)(=O)[O-],"InChI=1/C9H12O3S.H3N/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);1H3",C9H12O3S.H3N,,,,,,LUAVFCBYZUMYCE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.638,253-521-2,37478-68-5,2-(2-nonyl-2-imidazolin-1-yl)ethanol,"2-(2-nonyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCCCC1=NCCN1CCO,CCCCCCCCCC1=NCCN1CCO,"InChI=1/C14H28N2O/c1-2-3-4-5-6-7-8-9-14-15-10-11-16(14)12-13-17/h17H,2-13H2,1H3",C14H28N2O,,,,,,SCBMJZZCHOUEQV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.413,255-473-8,41642-51-7,"N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide","N-{2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide",[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)c(C#N)c2,[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)c(C#N)c2,"InChI=1/C20H19N7O3/c1-4-26(5-2)16-6-7-18(19(10-16)23-13(3)28)24-25-20-14(11-21)8-17(27(29)30)9-15(20)12-22/h6-10H,4-5H2,1-3H3,(H,23,28)",C20H19N7O3,,,,,,LEGWLJGBFZBZSC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.414,255-474-3,41642-94-8,"Sodium 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinesulphonate","sodium 6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-sulfonate",[Na+].CN1C(=CC(=C(C1=O)S(=O)(=O)[O-])C)O,[Na+].CN1C(=CC(=C(C1=O)S(=O)(=O)[O-])C)O,"InChI=1/C7H9NO5S.Na/c1-4-3-5(9)8(2)7(10)6(4)14(11,12)13;/h3,9H,1-2H3,(H,11,12,13);/q;+1/p-1",C7H9NO5S.Na,,,,,,XOJQIDBMQHKAOG-UHFFFAOYSA-M,,,,,,,,,,,
100.048.279,253-124-4,36597-49-6,"2,2',2'',2'''-[methanetetrayltetrakis(oxy)]tetrakispropane","2,2',2'',2'''-[methanetetrayltetrakis(oxy)]tetrapropane",CC(C)OC(OC(C)C)(OC(C)C)OC(C)C,CC(C)OC(OC(C)C)(OC(C)C)OC(C)C,"InChI=1/C13H28O4/c1-9(2)14-13(15-10(3)4,16-11(5)6)17-12(7)8/h9-12H,1-8H3",C13H28O4,,,,,,PUAUAWJVTROGJG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.280,253-126-5,36602-05-8,"4,4'-iminobisbenzonitrile","4,4'-iminodibenzonitrile",N#Cc1ccc(Nc2ccc(cc2)C#N)cc1,N#Cc1ccc(Nc2ccc(cc2)C#N)cc1,"InChI=1/C14H9N3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,17H",C14H9N3,,,,,,LTCYVXGIJJJJND-UHFFFAOYSA-N,,,,,,,,,,,
100.048.281,253-127-0,36616-28-1,N-[4-(2-chloroethoxy)phenyl]acetamide,N-[4-(2-chloroethoxy)phenyl]acetamide,CC(=O)Nc1ccc(OCCCl)cc1,CC(=O)Nc1ccc(OCCCl)cc1,"InChI=1/C10H12ClNO2/c1-8(13)12-9-2-4-10(5-3-9)14-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)",C10H12ClNO2,,,,,,HLLURZQGVBWFRD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.286,253-132-8,36622-28-3,"(-)-[3-cyano-3-(3,4-dimethoxyphenyl)hex-6-yl][2-(3,4-dimethoxyphenyl)ethyl]methylammonium chloride","4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylhexan-1-aminium chloride",[Cl-].CCC(CCC[NH+](C)CCc1ccc(OC)c(OC)c1)(C#N)c2ccc(OC)c(OC)c2,[Cl-].CCC(CCC[NH+](C)CCc1ccc(OC)c(OC)c1)(C#N)c2ccc(OC)c(OC)c2,"InChI=1/C26H36N2O4.ClH/c1-7-26(19-27,21-10-12-23(30-4)25(18-21)32-6)14-8-15-28(2)16-13-20-9-11-22(29-3)24(17-20)31-5;/h9-12,17-18H,7-8,13-16H2,1-6H3;1H",C27H38N2O4.ClH,,,,,,GXSNJQVFIBEXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.289,253-135-4,36624-58-5,"[R*,R*]-(±)-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol","2-amino-1-[4-(methylsulfanyl)phenyl]propane-1,3-diol",CSc1ccc(cc1)C(O)C(N)CO,CSc1ccc(cc1)C(O)C(N)CO,"InChI=1/C10H15NO2S/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3",C10H15NO2S,,,,,,IULJJGJXIGQINK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.296,253-143-8,36637-18-0,Etidocaine,"N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide",CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,"InChI=1/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)",C17H28N2O,,,,,,VTUSIVBDOCDNHS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.299,253-146-4,36643-74-0,Indanol,indan-1-ol,OC1CCc2ccccc12,OC1CCc2ccccc12,"InChI=1/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2",C9H10O,,,,,,YIAPLDFPUUJILH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.303,253-151-1,36663-00-0,3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,Clc1ccc(cc1)c2nn(cc2C=O)c3ccccc3,Clc1ccc(cc1)c2nn(cc2C=O)c3ccccc3,InChI=1/C16H11ClN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-11H,C16H11ClN2O,,,,,,FTUHJYUSTWIPBN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.935,252-744-2,35836-73-8,"(1R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ethanol","2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethanol",CC1(C)C2CC=C(CCO)[C@@H]1C2,CC1(C)C2CC=C(CCO)[C@@H]1C2,"InChI=1/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3",C11H18O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5969,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.935,ROKSAUSPJGWCSM-AXDSSHIGSA-N,,,,,,,,,,,
100.047.936,252-745-8,35837-53-7,"Dibutyl hydrogen phosphate, vanadium salt",-,[V+2].CCCCOP(=O)(O)OCCCC,[V+2].CCCCOP(=O)(O)OCCCC,"InChI=1/C8H19O4P.V/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+2",C8H19O4P.xV,,,,,,UYMXVPNGNSXCJA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.937,252-746-3,35837-70-8,"Lead bis(3,5,5-trimethylhexanoate)",-,[Pb+2].CC(CC(C)(C)C)CC([O-])=O.CC(C)(C)CC(C)CC([O-])=O,[Pb+2].CC(CC(C)(C)C)CC([O-])=O.CC(C)(C)CC(C)CC([O-])=O,"InChI=1/2C9H18O2.Pb.2H/c2*1-7(5-8(10)11)6-9(2,3)4;;;/h2*7H,5-6H2,1-4H3,(H,10,11);;;/q;;+4;;/p-2/r2C9H18O2.H2Pb/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);1H2/q;;+4/p-2",C9H18O2.1/2Pb,,,,,,HHCUBIIYLQMHJR-UHFFFAOYSA-L,,,,,,,,,,,
100.047.941,252-751-0,35843-74-4,2-methyl-N-(triphenylphosphoranylidene)aniline,[(2-methylphenyl)imino](triphenyl)phosphorane,Cc1ccccc1N=P(c2ccccc2)(c3ccccc3)c4ccccc4,Cc1ccccc1N=P(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H22NP/c1-21-13-11-12-20-25(21)26-27(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20H,1H3",C25H22NP,,,,,,BRVKYNOLBGVHFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.950,252-761-5,35852-46-1,(Z)-hex-3-enyl valerate,hex-3-en-1-yl valerate,CCCCC(=O)OCC\\C=C/CC,CCCCC(=O)OCC\C=C/CC,"InChI=1/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3",C11H20O2,,,,,,XPFTVTFOOTVHIA-ALCCZGGFSA-N,,,,,,,,,,,
100.047.961,252-773-0,35878-28-5,"cis-tetrahydro-1H-cyclopenta[c]furan-1,3(4H)-dione","tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione",O=C1OC(=O)[C@H]2CCC[C@@H]12,O=C1OC(=O)[C@H]2CCC[C@@H]12,"InChI=1/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2",C7H8O3,,,,,,NMSRALOLNIBERV-SYDPRGILSA-N,,,,,,,,,,,
100.047.963,252-775-1,35884-41-4,"Bromo-6,14-dichloropyranthrene-8,16-dione","1-bromo-6,14-dichloropyranthrene-8,16-dione",Clc1cc2C(=O)c3ccccc3c4cc5c(Cl)cc6C(=O)c7c(Br)cccc7c8cc1c(c24)c5c68,Clc1cc2C(=O)c3ccccc3c4cc5c(Cl)cc6C(=O)c7c(Br)cccc7c8cc1c(c24)c5c68,InChI=1/C30H11BrCl2O2/c31-21-7-3-6-13-16-9-18-22(32)10-19-24-15(12-4-1-2-5-14(12)29(19)34)8-17-23(33)11-20(30(35)26(13)21)25(16)28(17)27(18)24/h1-11H,C30H11BrCl2O2,,,,,,AZJLRVZBHVOEEH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.209,256-349-6,48072-11-3,Oxo(tetradecanoato-O)aluminium,oxo(tetradecanoato-kappaO)aluminum,CCCCCCCCCCCCCC(=O)O[Al]=O,CCCCCCCCCCCCCC(=O)O[Al]=O,"InChI=1/C14H28O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2-13H2,1H3,(H,15,16);;/q;+1;/p-1/rC14H27AlO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)18-15-17/h2-13H2,1H3",C14H27AlO3,,,,,,RMCCLSYGQPAIES-UHFFFAOYSA-M,,,,,,,,,,,
100.051.210,256-350-1,48076-38-6,Icosyl acrylate,icosyl acrylate,CCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2/h4H,2-3,5-22H2,1H3",C23H44O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13125,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.210,NGYRYRBDIPYKTL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.211,256-351-7,48076-44-4,"2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl methacrylate","2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H7F13O2/c1-4(2)5(25)26-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1,3H2,2H3",C11H7F13O2,,,,,,OGTUUPXNYCOCKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.213,256-353-8,48077-33-4,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl methacrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H7F17O2/c1-4(2)5(31)32-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1,3H2,2H3",C13H7F17O2,,,,,,ZDXYSIRXXGOEEA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.215,256-355-9,48108-77-6,(S)-amino(phenyl)acetonitrile,amino(phenyl)acetonitrile,N[C@H](C#N)c1ccccc1,N[C@H](C#N)c1ccccc1,"InChI=1/C8H8N2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,10H2",C8H8N2,,,,,,JTIHSSVKTWPPHI-MRVPVSSYSA-N,,,,,,,,,,,
100.051.222,256-363-2,49539-88-0,Trimethoxy(2-phenylethyl)silane,trimethoxy(2-phenylethyl)silane,CO[Si](CCc1ccccc1)(OC)OC,CO[Si](CCc1ccccc1)(OC)OC,"InChI=1/C11H18O3Si/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3",C11H18O3Si,,,,,,UBMUZYGBAGFCDF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.226,256-367-4,49553-76-6,"Oleic acid, monoester with oxybis(propanediol)","3-(2,3-dihydroxypropoxy)-2-hydroxypropyl octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COCC(O)CO,CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COCC(O)CO,"InChI=1/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-23(27)20-29-19-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3",C24H46O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12212,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.226,BKZCZANSHGDPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.230,256-372-1,49556-76-5,"Benzene-1,2,4-tricarboxylic acid, compound with 2-methyl-1H-imidazole-1-propiononitrile (1:1)","benzene-1,2,4-tricarboxylic acid - 3-(2-methyl-1H-imidazol-1-yl)propanenitrile (1:1)",Cc1nccn1CCC#N.OC(=O)c2ccc(C(=O)O)c(c2)C(=O)O,Cc1nccn1CCC#N.OC(=O)c2ccc(C(=O)O)c(c2)C(=O)O,"InChI=1/C9H6O6.C7H9N3/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-7-9-4-6-10(7)5-2-3-8/h1-3H,(H,10,11)(H,12,13)(H,14,15);4,6H,2,5H2,1H3",C9H6O6.C7H9N3,,,,,,NHUQJARJAUICDR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.232,256-374-2,49561-88-8,m-tert-butylphenyl chloroformate,3-tert-butylphenyl chlorocarbonate,CC(C)(C)c1cccc(OC(=O)Cl)c1,CC(C)(C)c1cccc(OC(=O)Cl)c1,"InChI=1/C11H13ClO2/c1-11(2,3)8-5-4-6-9(7-8)14-10(12)13/h4-7H,1-3H3",C11H13ClO2,,,,,,BYUPCPGESMKIBW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.238,256-381-0,49566-00-9,"(3,3-diphenylpropyl)[3-(phenylthio)propyl]ammonium chloride","3,3-diphenyl-N-[3-(phenylsulfanyl)propyl]propan-1-aminium chloride",[Cl-].C(C[NH2+]CCC(c1ccccc1)c2ccccc2)CSc3ccccc3,[Cl-].C(C[NH2+]CCC(c1ccccc1)c2ccccc2)CSc3ccccc3,"InChI=1/C24H27NS.ClH/c1-4-11-21(12-5-1)24(22-13-6-2-7-14-22)17-19-25-18-10-20-26-23-15-8-3-9-16-23;/h1-9,11-16,24-25H,10,17-20H2;1H",C24H27NS.ClH,,,,,,SFYVRUBKBDKDBR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.241,256-384-7,49571-04-2,Bepridil,N-benzyl-N-(3-isobutoxy-2-pyrrolidin-1-ylpropyl)aniline,CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3,CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3,"InChI=1/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3",C24H34N2O,,,,,,UIEATEWHFDRYRU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.245,256-388-9,49577-59-5,"Benzene-1,2,4-tricarboxylic acid, compound with 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile","benzene-1,2,4-tricarboxylic acid - 3-(2-ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile (1:1)",CCc1nc(C)cn1CCC#N.OC(=O)c2ccc(C(=O)O)c(c2)C(=O)O,CCc1nc(C)cn1CCC#N.OC(=O)c2ccc(C(=O)O)c(c2)C(=O)O,"InChI=1/C9H13N3.C9H6O6/c1-3-9-11-8(2)7-12(9)6-4-5-10;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h7H,3-4,6H2,1-2H3;1-3H,(H,10,11)(H,12,13)(H,14,15)",C9H13N3.xC9H6O6,,,,,,TTXQVPHOARHATA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.246,256-389-4,49583-83-7,"Ethyl 2,3-dihydro-1,3-dioxo-1H-indene-2-carboxylate, sodium salt",-,[Na+].CCOC(=O)C1C(=O)c2ccccc2C1=O,[Na+].CCOC(=O)C1C(=O)c2ccccc2C1=O,"InChI=1/C12H10O4.Na/c1-2-16-12(15)9-10(13)7-5-3-4-6-8(7)11(9)14;/h3-6,9H,2H2,1H3;/q;+1",C12H9O4.Na,,,,,,PUEHZKAWQFJJJN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.179,253-014-6,36393-56-3,"(R*,R*)-a-(1-aminoethyl)benzyl alcohol",2-amino-1-phenylpropan-1-ol,CC(N)C(O)c1ccccc1,CC(N)C(O)c1ccccc1,"InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3",C9H13NO,,,,,,DLNKOYKMWOXYQA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.745,254-739-0,39998-25-9,Methyl pyridine-3-acetate,methyl pyridin-3-ylacetate,COC(=O)Cc1cccnc1,COC(=O)Cc1cccnc1,"InChI=1/C8H9NO2/c1-11-8(10)5-7-3-2-4-9-6-7/h2-4,6H,5H2,1H3",C8H9NO2,,,,,,PZXIEBDIPWIRGB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.254,256-398-3,49609-90-7,"Dimethyl 4,4'-methylenebis[3-methoxy-2-naphthoate]","dimethyl 4,4'-methylenebis(3-methoxy-2-naphthoate)",COC(=O)c1cc2ccccc2c(Cc3c(OC)c(cc4ccccc34)C(=O)OC)c1OC,COC(=O)c1cc2ccccc2c(Cc3c(OC)c(cc4ccccc34)C(=O)OC)c1OC,"InChI=1/C27H24O6/c1-30-24-20(18-11-7-5-9-16(18)13-22(24)26(28)32-3)15-21-19-12-8-6-10-17(19)14-23(25(21)31-2)27(29)33-4/h5-14H,15H2,1-4H3",C27H24O6,,,,,,AUUMFIMNKQXRBY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.263,256-408-6,49650-84-2,"Naphthalene-1,5-disulphonamide","naphthalene-1,5-disulfonamide",NS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)N,NS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)N,"InChI=1/C10H10N2O4S2/c11-17(13,14)9-5-1-3-7-8(9)4-2-6-10(7)18(12,15)16/h1-6H,(H2,11,13,14)(H2,12,15,16)",C10H10N2O4S2,,,,,,UGTLNJSCSSEXDI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.264,256-409-1,49650-88-6,3-(2-hydroxyethoxy)phenol,3-(2-hydroxyethoxy)phenol,OCCOc1cccc(O)c1,OCCOc1cccc(O)c1,"InChI=1/C8H10O3/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6,9-10H,4-5H2",C8H10O3,,,,,,KKOWMCYVIXBCGE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.266,256-411-2,49653-17-0,Ethyl ethoxyhydroxyacetate,ethyl ethoxy(hydroxy)acetate,CCOC(O)C(=O)OCC,CCOC(O)C(=O)OCC,"InChI=1/C6H12O4/c1-3-9-5(7)6(8)10-4-2/h5,7H,3-4H2,1-2H3",C6H12O4,,,,,,PGALUWKYZXVZMU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.271,256-417-5,49659-06-5,1-(2-phenoxyethyl)pyridinium chloride,1-(2-phenoxyethyl)pyridinium chloride,[Cl-].C(C[n+]1ccccc1)Oc2ccccc2,[Cl-].C(C[n+]1ccccc1)Oc2ccccc2,"InChI=1/C13H14NO.ClH/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;/h1-10H,11-12H2;1H/q+1;/p-1",C13H14NO.Cl,,,,,,LNKRMNBJDIZACC-UHFFFAOYSA-M,,,,,,,,,,,
100.051.273,256-419-6,49663-94-7,"1-benzyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium chloride","1-benzyl-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium chloride",[Cl-].C(N1CCC[N+]2=C1CCCCC2)c3ccccc3,[Cl-].C(N1CCC[N+]2=C1CCCCC2)c3ccccc3,"InChI=1/C16H23N2.ClH/c1-3-8-15(9-4-1)14-18-13-7-12-17-11-6-2-5-10-16(17)18;/h1,3-4,8-9H,2,5-7,10-14H2;1H/q+1;/p-1",C16H23N2.Cl,,,,,,CIIDVPBPKJUNNK-UHFFFAOYSA-M,,,,,,,,,,,
100.050.948,256-062-6,43048-08-4,"(octahydro-4,7-methano-1H-indenediyl)bis(methylene) bismethacrylate","octahydro-1H-4,7-methanoindene-1,1-diylbis(methylene) bis(2-methylacrylate)",CC(=C)C(=O)OCC1(COC(=O)C(=C)C)CCC2C3CCC(C3)C12,CC(=C)C(=O)OCC1(COC(=O)C(=C)C)CCC2C3CCC(C3)C12,"InChI=1/C20H28O4/c1-12(2)18(21)23-10-20(11-24-19(22)13(3)4)8-7-16-14-5-6-15(9-14)17(16)20/h14-17H,1,3,5-11H2,2,4H3",C20H28O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18828,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.948,XQRRTDNMGYNGRY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.952,256-066-8,43052-39-7,Di-tert-butyl glutarate,di-tert-butyl glutarate,CC(C)(C)OC(=O)CCCC(=O)OC(C)(C)C,CC(C)(C)OC(=O)CCCC(=O)OC(C)(C)C,"InChI=1/C13H24O4/c1-12(2,3)16-10(14)8-7-9-11(15)17-13(4,5)6/h7-9H2,1-6H3",C13H24O4,,,,,,FXJKNCDSABKERB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.955,256-069-4,43061-75-2,2-[2-(acetylphenylamino)vinyl]-3-ethylbenzothiazolium,"2-{2-[acetyl(phenyl)amino]vinyl}-3-ethyl-1,3-benzothiazol-3-ium",CC[n+]1c(\\C=C\\N(C(=O)C)c2ccccc2)sc3ccccc13,CC[n+]1c(\C=C\N(C(=O)C)c2ccccc2)sc3ccccc13,"InChI=1/C19H19N2OS/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3/q+1",C19H19N2OS,,,,,,BGIJLSGWNSIFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.961,256-076-2,43076-59-1,4-chloro-1-(2-thienyl)butan-1-one,4-chloro-1-(2-thienyl)butan-1-one,ClCCCC(=O)c1cccs1,ClCCCC(=O)c1cccs1,"InChI=1/C8H9ClOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5H2",C8H9ClOS,,,,,,NPFQPHILVMHTKP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.967,256-083-0,43090-68-2,(S)-a-(aminomethyl)-3-hydroxybenzyl alcohol hydrochloride,3-(2-amino-1-hydroxyethyl)phenol hydrochloride,Cl.NC[C@@H](O)c1cccc(O)c1,Cl.NC[C@@H](O)c1cccc(O)c1,"InChI=1/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H",C8H11NO2.ClH,,,,,,OWMFSWZUAWKDRR-DDWIOCJRSA-N,,,,,,,,,,,
100.050.970,256-086-7,43094-97-9,4-carboxy-2-oxopyrrolidine-1-acetic acid,1-(carboxymethyl)-5-oxopyrrolidine-3-carboxylic acid,OC(=O)CN1CC(CC1=O)C(=O)O,OC(=O)CN1CC(CC1=O)C(=O)O,"InChI=1/C7H9NO5/c9-5-1-4(7(12)13)2-8(5)3-6(10)11/h4H,1-3H2,(H,10,11)(H,12,13)",C7H9NO5,,,,,,OQUYXNFDGIIAES-UHFFFAOYSA-N,,,,,,,,,,,
100.050.974,256-090-9,43100-38-5,p-tert-butylbenzohydrazide,4-tert-butylbenzohydrazide,CC(C)(C)c1ccc(cc1)C(=O)NN,CC(C)(C)c1ccc(cc1)C(=O)NN,"InChI=1/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)",C11H16N2O,,,,,,XYUFQWDLRLHUPB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.981,256-098-2,43112-38-5,3-(trimethylsilyl)oxazolidin-2-one,"3-(trimethylsilyl)-1,3-oxazolidin-2-one",C[Si](C)(C)N1CCOC1=O,C[Si](C)(C)N1CCOC1=O,"InChI=1/C6H13NO2Si/c1-10(2,3)7-4-5-9-6(7)8/h4-5H2,1-3H3",C6H13NO2Si,,,,,,AUKCYOUETBBMFV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.987,256-104-3,43124-59-0,"(1a,4ß,6a)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",C[C@H]1C[C@@H]2[C@H](CC1=O)C2(C)C,C[C@H]1C[C@@H]2[C@H](CC1=O)C2(C)C,"InChI=1/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3",C10H16O,,,,,,ABSCYWMYRVUUIC-RNJXMRFFSA-N,,,,,,,,,,,
100.050.420,255-481-1,41661-47-6,4-piperidone,piperidin-4-one,O=C1CCNCC1,O=C1CCNCC1,"InChI=1/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2",C5H9NO,,,,,,VRJHQPZVIGNGMX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.424,255-485-3,41669-30-1,Isooctadecyl isooctadecanoate,16-methylheptadecyl 16-methylheptadecanoate,CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1/C36H72O2/c1-34(2)30-26-22-18-14-10-6-5-9-13-17-21-25-29-33-38-36(37)32-28-24-20-16-12-8-7-11-15-19-23-27-31-35(3)4/h34-35H,5-33H2,1-4H3",C36H72O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11339,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.424,ABEXEQSGABRUHS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.430,255-492-1,41678-36-8,"3,7-dimethylocten-2-ol","3,7-dimethyloct-1-en-2-ol",CC(C)CCCC(C)C(=C)O,CC(C)CCCC(C)C(=C)O,"InChI=1/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h8-9,11H,4-7H2,1-3H3",C10H20O,,,,,,WZRRRLLETLZJGO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.433,255-495-8,41680-76-6,"2,5-bis(4-chlorophenylamino)terephthalic acid","2,5-bis[(4-chlorophenyl)amino]terephthalic acid",OC(=O)c1cc(Nc2ccc(Cl)cc2)c(cc1Nc3ccc(Cl)cc3)C(=O)O,OC(=O)c1cc(Nc2ccc(Cl)cc2)c(cc1Nc3ccc(Cl)cc3)C(=O)O,"InChI=1/C20H14Cl2N2O4/c21-11-1-5-13(6-2-11)23-17-9-16(20(27)28)18(10-15(17)19(25)26)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26)(H,27,28)",C20H14Cl2N2O4,,,,,,LVTSHUZPPLHMEB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.434,255-496-3,41682-04-6,"3-ethyl-2-[2-(N-phenylacetamido)vinyl]-4,5-dihydrothiazolium iodide","2-{2-[acetyl(phenyl)amino]vinyl}-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].CC[N+]1=C(SCC1)\\C=C\\N(C(=O)C)c2ccccc2,[I-].CC[N+]1=C(SCC1)\C=C\N(C(=O)C)c2ccccc2,"InChI=1/C15H19N2OS.HI/c1-3-16-11-12-19-15(16)9-10-17(13(2)18)14-7-5-4-6-8-14;/h4-10H,3,11-12H2,1-2H3;1H/q+1;/p-1",C15H19N2OS.I,,,,,,VPADIEOURGCMDP-UHFFFAOYSA-M,,,,,,,,,,,
100.050.440,255-504-5,41699-00-7,"2,2'-(octahydro-4,7-methano-1H-indenediyl)bis[6-tert-butyl-p-cresol]","2,2'-octahydro-1H-4,7-methanoindene-1,1-diylbis(6-tert-butyl-4-methylphenol)",Cc1cc(c(O)c(c1)C2(CCC3C4CCC(C4)C23)c5cc(C)cc(c5O)C(C)(C)C)C(C)(C)C,Cc1cc(c(O)c(c1)C2(CCC3C4CCC(C4)C23)c5cc(C)cc(c5O)C(C)(C)C)C(C)(C)C,"InChI=1/C32H44O2/c1-18-13-23(30(3,4)5)28(33)25(15-18)32(12-11-22-20-9-10-21(17-20)27(22)32)26-16-19(2)14-24(29(26)34)31(6,7)8/h13-16,20-22,27,33-34H,9-12,17H2,1-8H3",C32H44O2,,,,,,ONZURRLDIFNDKR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.444,255-508-7,41709-76-6,"4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-phenylnaphthalene-2-carboxamide]","4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-hydroxy-N-phenyl-2-naphthamide)",Clc4cc(ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c8ccc(N=Nc6c7ccccc7cc(C(=O)Nc5ccccc5)c6O)c(Cl)c8,Clc4cc(ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c8ccc(N=Nc6c7ccccc7cc(C(=O)Nc5ccccc5)c6O)c(Cl)c8,"InChI=1/C46H30Cl2N6O4/c47-37-25-27(19-21-39(37)51-53-41-33-17-9-7-11-29(33)23-35(43(41)55)45(57)49-31-13-3-1-4-14-31)28-20-22-40(38(48)26-28)52-54-42-34-18-10-8-12-30(34)24-36(44(42)56)46(58)50-32-15-5-2-6-16-32/h1-26,55-56H,(H,49,57)(H,50,58)",C46H30Cl2N6O4,,,,,,XJYCALFJFALYAH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.445,255-509-2,41710-01-4,Oxydiethylene hexanoate,"oxydiethane-1,1,2-triyl tetrahexanoate",CCCCCC(=O)OCC(OC(COC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC,CCCCCC(=O)OCC(OC(COC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC,"InChI=1/C28H50O9/c1-5-9-13-17-23(29)33-21-27(35-25(31)19-15-11-7-3)37-28(36-26(32)20-16-12-8-4)22-34-24(30)18-14-10-6-2/h27-28H,5-22H2,1-4H3",C16H30O5,,,,,,CSMJPBBIGYRWMV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.447,255-511-3,41714-53-8,"(5a,6ß)-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan","3,6-dimethoxy-17-methyl-4,5-epoxymorphinan",CO[C@@H]1CC[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,CO[C@@H]1CC[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,"InChI=1/C19H25NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4,6,12-13,15,18H,5,7-10H2,1-3H3",C19H25NO3,,,,,,RVJQWONQPCTLDL-MKUCUKIISA-N,,,,,,,,,,,
100.050.449,255-513-4,41717-60-6,2-phenoxybutyryl chloride,2-phenoxybutanoyl chloride,CCC(Oc1ccccc1)C(=O)Cl,CCC(Oc1ccccc1)C(=O)Cl,"InChI=1/C10H11ClO2/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",C10H11ClO2,,,,,,CMWPBGIBHBCVSW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.450,255-515-5,41723-98-2,"3,4,4a,5,8,8a-hexahydro-3',6-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]","3',6-dimethyl-3,4,4a,5,8,8a-hexahydro-1H-spiro[1,4-methanonaphthalene-2,2'-oxirane]",CC1OC12CC3CC2C4CC=C(C)CC34,CC1OC12CC3CC2C4CC=C(C)CC34,"InChI=1/C14H20O/c1-8-3-4-11-12(5-8)10-6-13(11)14(7-10)9(2)15-14/h3,9-13H,4-7H2,1-2H3",C14H20O,,,,,,AVJUDQZBROVIIP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.452,255-517-6,41724-19-0,"Octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one","7-methyloctahydro-1,4-methanonaphthalen-6(2H)-one",CC1CC2C3CCC(C3)C2CC1=O,CC1CC2C3CCC(C3)C2CC1=O,"InChI=1/C12H18O/c1-7-4-10-8-2-3-9(5-8)11(10)6-12(7)13/h7-11H,2-6H2,1H3",C12H18O,,,,,,VWFXPROOUAWFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.509,258-879-3,53943-88-7,Letosteine,"2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid",CCOC(=O)CSCCC1NC(CS1)C(=O)O,CCOC(=O)CSCCC1NC(CS1)C(=O)O,"InChI=1/C10H17NO4S2/c1-2-15-9(12)6-16-4-3-8-11-7(5-17-8)10(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)",C10H17NO4S2,,,,,,IKOCLISPVJZJEA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.965,252-777-2,35884-66-3,Tetrakis(tritolyl phosphite )nickel,-,[Ni].Cc1ccc(OP(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1.Cc4ccc(OP(Oc5ccc(C)cc5)Oc6ccc(C)cc6)cc4.Cc7ccc(OP(Oc8ccc(C)cc8)Oc9ccc(C)cc9)cc7.Cc%10ccc(OP(Oc%11ccc(C)cc%11)Oc%12ccc(C)cc%12)cc%10,[Ni].Cc1ccc(OP(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1.Cc4ccc(OP(Oc5ccc(C)cc5)Oc6ccc(C)cc6)cc4.Cc7ccc(OP(Oc8ccc(C)cc8)Oc9ccc(C)cc9)cc7.Cc%10ccc(OP(Oc%11ccc(C)cc%11)Oc%12ccc(C)cc%12)cc%10,"InChI=1/4C21H21O3P.Ni/c4*1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;/h4*4-15H,1-3H3;/q;;;;+2",C84H84NiO12P4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11840,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.965,RUCBZWQAPHSHNX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.968,252-780-9,35894-42-9,5-vinylthiazolidin-2-one,"5-vinyl-1,3-thiazolidin-2-one",C=CC1CNC(=O)S1,C=CC1CNC(=O)S1,"InChI=1/C5H7NOS/c1-2-4-3-6-5(7)8-4/h2,4H,1,3H2,(H,6,7)",C5H7NOS,,,,,,JJKPQDFLJFVJKO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.971,252-784-0,35896-35-6,"3,3-dimethylbicyclo[2.2.1]heptane-2-propionic acid","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propanoic acid",CC1(C)C2CCC(C2)C1CCC(=O)O,CC1(C)C2CCC(C2)C1CCC(=O)O,"InChI=1/C12H20O2/c1-12(2)9-4-3-8(7-9)10(12)5-6-11(13)14/h8-10H,3-7H2,1-2H3,(H,13,14)",C12H20O2,,,,,,PECZKENMPPVTAH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.974,252-787-7,35908-14-6,"5-amino-1-(3,5-O-phosphinico-ß-D-ribofuranosyl)-1H-imidazole-4-carboxamide","5-amino-1-(2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1H-imidazole-4-carboxamide",NC(=O)c1ncn(C2OC3COP(=O)(O)OC3C2O)c1N,NC(=O)c1ncn(C2OC3COP(=O)(O)OC3C2O)c1N,"InChI=1/C9H13N4O7P/c10-7-4(8(11)15)12-2-13(7)9-5(14)6-3(19-9)1-18-21(16,17)20-6/h2-3,5-6,9,14H,1,10H2,(H2,11,15)(H,16,17)",C9H13N4O7P,,,,,,QQDWJBYNAORJHB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.293,256-441-6,49714-52-5,"2,2,3-trimethylbutyric acid","2,2,3-trimethylbutanoic acid",CC(C)C(C)(C)C(=O)O,CC(C)C(C)(C)C(=O)O,"InChI=1/C7H14O2/c1-5(2)7(3,4)6(8)9/h5H,1-4H3,(H,8,9)",C7H14O2,,,,,,MLFLWIBXZIPYEI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.294,256-442-1,49715-04-0,Chloromethyl chlorosulphate,chloromethyl chlorosulfate,ClCOS(=O)(=O)Cl,ClCOS(=O)(=O)Cl,"InChI=1/CH2Cl2O3S/c2-1-6-7(3,4)5/h1H2",CH2Cl2O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12550,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.294,PJBIHXWYDMFGCV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.296,256-444-2,49719-60-0,Tris(2-hydroxyethyl)ammonium palmitate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium palmitate",CCCCCCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C16H32O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;8-4-1-7(2-5-9)3-6-10/h2-15H2,1H3,(H,17,18);8-10H,1-6H2",C16H32O2.C6H15NO3,,,,,,WYVGZXIHGGQSQN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.309,256-458-9,49744-28-7,1-[(4-methoxy-2-nitrophenyl)azo]-2-naphthol,1-[(4-methoxy-2-nitrophenyl)diazenyl]-2-naphthol,[O-][N+](=O)c3cc(OC)ccc3N=Nc1c2ccccc2ccc1O,[O-][N+](=O)c3cc(OC)ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C17H13N3O4/c1-24-12-7-8-14(15(10-12)20(22)23)18-19-17-13-5-3-2-4-11(13)6-9-16(17)21/h2-10,21H,1H3",C17H13N3O4,,,,,,XKCBOKJVKUTYEH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.311,256-461-5,49744-35-6,2-(2-methoxyethoxy)ethyl anthranilate,2-(2-methoxyethoxy)ethyl 2-aminobenzoate,COCCOCCOC(=O)c1ccccc1N,COCCOCCOC(=O)c1ccccc1N,"InChI=1/C12H17NO4/c1-15-6-7-16-8-9-17-12(14)10-4-2-3-5-11(10)13/h2-5H,6-9,13H2,1H3",C12H17NO4,,,,,,CUFCLXDIPLDIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.326,256-477-2,49763-64-6,p-cyanophenyl p-pentylbenzoate,4-cyanophenyl 4-pentylbenzoate,CCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,CCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,"InChI=1/C19H19NO2/c1-2-3-4-5-15-6-10-17(11-7-15)19(21)22-18-12-8-16(14-20)9-13-18/h6-13H,2-5H2,1H3",C19H19NO2,,,,,,WCCDNUMASFDPFO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.994,256-112-7,43135-99-5,"2,2-dimethylpropane-1,3-diyl dihexahydrophthalate","1-[(3-{[(2-carboxycyclohexyl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohexanecarboxylic acid",CC(C)(COC(=O)C1CCCCC1C(=O)O)COC(=O)C2(CCCCC2)C(=O)O,CC(C)(COC(=O)C1CCCCC1C(=O)O)COC(=O)C2(CCCCC2)C(=O)O,"InChI=1/C21H32O8/c1-20(2,12-28-17(24)15-9-5-4-8-14(15)16(22)23)13-29-19(27)21(18(25)26)10-6-3-7-11-21/h14-15H,3-13H2,1-2H3,(H,22,23)(H,25,26)",C21H32O8,,,,,,LVWXDAKREBYHNB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.636,257-919-7,52435-87-7,"Methyl 4-[1-(acetoxy)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-2-naphthoate","methyl 4-(1-acetoxy-3-oxo-1H,3H-benzo[de]isochromen-1-yl)-1-hydroxy-2-naphthoate",COC(=O)c1cc(c2ccccc2c1O)C3(OC(=O)C)OC(=O)c4cccc5cccc3c45,COC(=O)c1cc(c2ccccc2c1O)C3(OC(=O)C)OC(=O)c4cccc5cccc3c45,"InChI=1/C26H18O7/c1-14(27)32-26(20-12-6-8-15-7-5-11-18(22(15)20)25(30)33-26)21-13-19(24(29)31-2)23(28)17-10-4-3-9-16(17)21/h3-13,28H,1-2H3",C26H18O7,,,,,,FLIPGGYCYPKIFD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.637,257-920-2,52437-39-5,"(R)-2,2,3-trimethylcyclopent-3-ene-1-ethanol","2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol",CC1=CC[C@H](CCO)C1(C)C,CC1=CC[C@H](CCO)C1(C)C,"InChI=1/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3",C10H18O,,,,,,NPGPPCSBEMHHCR-SECBINFHSA-N,,,,,,,,,,,
100.052.646,257-930-7,52455-30-8,Sodium triaqua[3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-7-nitronaphthalene-1-sulphonato(3-)]chromate(1-),sodium [3-(hydroxy-kappaO)-4-{[2-(hydroxy-kappaO)-1-naphthyl]diazenyl}-7-nitronaphthalene-1-sulfonato(3-)]chromate(1-),[Na]OS(=O)(=O)c1cc2O[Cr]Oc3ccc4ccccc4c3N=Nc2c5ccc(cc15)N(=O)=O,[Na]OS(=O)(=O)c1cc2O[Cr]Oc3ccc4ccccc4c3N=Nc2c5ccc(cc15)N(=O)=O,"InChI=1/C20H13N3O7S.Cr.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;/h1-10,24-25H,(H,28,29,30);;/q;+2;+1/p-3/rC20H12N3NaO7S.Cr/c24-31-32(29,30)18-10-17(26)20(14-7-6-12(23(27)28)9-15(14)18)22-21-19-13-4-2-1-3-11(13)5-8-16(19)25;/h1-10,25-26H;/q;+2/p-2",C20H16CrN3O10S.Na,,,,,,PBRWJBAYLQPRHX-UHFFFAOYSA-K,,,,,,,,,,,
100.048.201,253-038-7,36438-51-4,"3-chloro-N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline","3-chloro-N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline",CCN(CC)c1c(cc(c(Cl)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCN(CC)c1c(cc(c(Cl)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C11H11ClF3N3O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(13,14)15)8(12)10(9)18(21)22/h5H,3-4H2,1-2H3",C11H11ClF3N3O4,,,,,,USJZRMMIXCKQRV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.204,253-041-3,36451-03-3,Neodymium(3+) acrylate,neodymium triacrylate,[Nd+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Nd+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/3C3H4O2.Nd/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3",C3H4O2.1/3Nd,,,,,,MHJIJZIBANOIDE-UHFFFAOYSA-K,,,,,,,,,,,
100.048.208,253-046-0,36452-66-1,Calcium bis[3-(dodecylthio)propionate],calcium bis[3-(dodecylsulfanyl)propanoate],[Ca+2].CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-],"InChI=1/2C15H30O2S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2",C15H30O2S.1/2Ca,,,,,,WPBKLXIJCPTIAL-UHFFFAOYSA-L,,,,,,,,,,,
100.048.217,253-056-5,36482-69-6,"[1R-(1a,4a,6a)]-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",CC1(C)C2CC(=O)C(C)(O)CC12,CC1(C)C2CC(=O)C(C)(O)CC12,"InChI=1/C10H16O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-7,12H,4-5H2,1-3H3",C10H16O2,,,,,,ZPUQSQULULBFIN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.218,253-057-0,36483-57-5,"2,2-dimethylpropan-1-ol, tribromo derivative","3,3,3-tribromo-2,2-dimethylpropan-1-ol",CC(C)(CO)C(Br)(Br)Br,CC(C)(CO)C(Br)(Br)Br,"InChI=1/C5H9Br3O/c1-4(2,3-9)5(6,7)8/h9H,3H2,1-2H3",C5H9Br3O,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6484,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.218,HQWKMYFWGMCJSW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.387,254-345-9,39195-97-6,1-(methylthio)butan-2-one oxime,1-(methylsulfanyl)butan-2-one oxime,CCC(=NO)CSC,CCC(=NO)CSC,"InChI=1/C5H11NOS/c1-3-5(6-7)4-8-2/h7H,3-4H2,1-2H3",C5H11NOS,,,,,,NMHJJFOQFIAKEN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.390,254-349-0,39201-42-8,"Hydrogen 5-chloro-2-[3-[5-chloro-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene]-2-ethylprop-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)","hydrogen 3-[5-chloro-2-(2-{[5-chloro-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylene}butylidene)-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonate N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4cc(Cl)ccc4oc3C=C(CC)C=C2Oc1ccc(Cl)cc1N2CCCS([O-])(=O)=O,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4cc(Cl)ccc4oc3C=C(CC)C=C2Oc1ccc(Cl)cc1N2CCCS([O-])(=O)=O,"InChI=1/C25H26Cl2N2O8S2.C6H15N.H2/c1-2-17(13-24-28(9-3-11-38(30,31)32)20-15-18(26)5-7-22(20)36-24)14-25-29(10-4-12-39(33,34)35)21-16-19(27)6-8-23(21)37-25;1-4-7(5-2)6-3;/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35);4-6H2,1-3H3;1H/q;;+1/p-1",C25H26Cl2N2O8S2.C6H15N,,,,,,ULHAYPWCIHCPHI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.399,254-359-5,39215-52-6,"Ethyl 2,3-dihydro-5-methyl-e-2-dioxo-1H-imidazole-4-hexanoate","ethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate",CCOC(=O)CCCCC(=O)C1=C(C)NC(=O)N1,CCOC(=O)CCCCC(=O)C1=C(C)NC(=O)N1,"InChI=1/C12H18N2O4/c1-3-18-10(16)7-5-4-6-9(15)11-8(2)13-12(17)14-11/h3-7H2,1-2H3,(H2,13,14,17)",C12H18N2O4,,,,,,QKLTUZKTQSIWKO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.411,254-372-6,39236-46-9,"N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]","N',N'''-methylenebis{1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea}",OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O,OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O,"InChI=1/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)",C11H16N8O8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10553,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.411,ZCTXEAQXZGPWFG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.417,254-378-9,39251-88-2,Octyl 2-furoate,octyl 2-furoate,CCCCCCCCOC(=O)c1occc1,CCCCCCCCOC(=O)c1occc1,"InChI=1/C13H20O3/c1-2-3-4-5-6-7-10-16-13(14)12-9-8-11-15-12/h8-9,11H,2-7,10H2,1H3",C13H20O3,,,,,,WVTHGLPXSATJHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.419,254-381-5,39252-03-4,Furfuryl octanoate,2-furylmethyl octanoate,CCCCCCCC(=O)OCc1occc1,CCCCCCCC(=O)OCc1occc1,"InChI=1/C13H20O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h7-8,10H,2-6,9,11H2,1H3",C13H20O3,,,,,,JNIWCVWKECYDSV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.421,254-383-6,39255-20-4,1-bromo-4-(2-ethoxyethoxy)benzene,1-bromo-4-(2-ethoxyethoxy)benzene,CCOCCOc1ccc(Br)cc1,CCOCCOc1ccc(Br)cc1,"InChI=1/C10H13BrO2/c1-2-12-7-8-13-10-5-3-9(11)4-6-10/h3-6H,2,7-8H2,1H3",C10H13BrO2,,,,,,QACZJJNHOATNHA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.426,254-388-3,39263-33-7,"N'-(4-chloro-2-cyanophenyl)-N,N-dimethylformamidine","N'-(4-chloro-2-cyanophenyl)-N,N-dimethylimidoformamide",Clc1cc(C#N)c(N=CN(C)C)cc1,Clc1cc(C#N)c(N=CN(C)C)cc1,"InChI=1/C10H10ClN3/c1-14(2)7-13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3",C10H10ClN3,,,,,,MHRWOIFPYHVBPV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.427,254-389-9,39264-02-3,"Dibutyl 2,2'-dithiobisbenzoate","dibutyl 2,2'-disulfanediyldibenzoate",CCCCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCCCC,CCCCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCCCC,"InChI=1/C22H26O4S2/c1-3-5-15-25-21(23)17-11-7-9-13-19(17)27-28-20-14-10-8-12-18(20)22(24)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3",C22H26O4S2,,,,,,DYLHXXARSCWPOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.265,253-109-2,36568-23-7,"1,5-dihydro-7,8-dimethylbenzo-2,4-dithiepin","7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine",Cc1cc2CSCSCc2cc1C,Cc1cc2CSCSCc2cc1C,"InChI=1/C11H14S2/c1-8-3-10-5-12-7-13-6-11(10)4-9(8)2/h3-4H,5-7H2,1-2H3",C11H14S2,,,,,,SMVKOIBFWKSJBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.282,253-128-6,36616-60-1,"(1a,4a,6a)-(+)-1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one",4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one,C=C(C)[C@H]1CC(=O)[C@]2(C)O[C@@H]2C1,C=C(C)[C@H]1CC(=O)[C@]2(C)O[C@@H]2C1,"InChI=1/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3",C10H14O2,,,,,,YGMNGQDLUQECTO-SFGNSQDASA-N,,,,,,,,,,,
100.048.283,253-129-1,36617-27-3,Tridecyl myristate,tridecyl myristate,CCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC,"InChI=1/C27H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",C27H54O2,,,,,,CTWLAMKOJQOQLN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.290,253-137-5,36626-52-5,"1-phenylpropane-1,3-diyl diformate","1-phenylpropane-1,3-diyl diformate",O=COCCC(OC=O)c1ccccc1,O=COCCC(OC=O)c1ccccc1,"InChI=1/C11H12O4/c12-8-14-7-6-11(15-9-13)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2",C11H12O4,,,,,,RDCASYVPNQBLPI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.291,253-138-0,36631-30-8,"Triisodecyl benzene-1,2,4-tricarboxylate","tris(8-methylnonyl) benzene-1,2,4-tricarboxylate",CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(c1)C(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(c1)C(=O)OCCCCCCCC(C)C,"InChI=1/C39H66O6/c1-31(2)22-16-10-7-13-19-27-43-37(40)34-25-26-35(38(41)44-28-20-14-8-11-17-23-32(3)4)36(30-34)39(42)45-29-21-15-9-12-18-24-33(5)6/h25-26,30-33H,7-24,27-29H2,1-6H3",C39H66O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13302,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.291,FJFYFBRNDHRTHL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.298,253-145-9,36640-39-8,3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol,[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol,OCc1cn(nc1c2ccc(Cl)cc2)c3ccccc3,OCc1cn(nc1c2ccc(Cl)cc2)c3ccccc3,"InChI=1/C16H13ClN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2",C16H13ClN2O,,,,,,RGRYFKFGOCASDE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.300,253-148-5,36653-42-6,"Cyclooctane-1,2,5,6-tetrol","cyclooctane-1,2,5,6-tetrol",OC1CCC(O)C(O)CCC1O,OC1CCC(O)C(O)CCC1O,"InChI=1/C8H16O4/c9-5-1-2-6(10)8(12)4-3-7(5)11/h5-12H,1-4H2",C8H16O4,,,,,,GOFSZEWOPLAOPS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.304,253-152-7,36665-67-5,Tridecyl laurate,tridecyl laurate,CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,"InChI=1/C25H50O2/c1-3-5-7-9-11-13-14-16-18-20-22-24-27-25(26)23-21-19-17-15-12-10-8-6-4-2/h3-24H2,1-2H3",C25H50O2,,,,,,INJZMNQWJIWOEA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.932,252-741-6,35826-82-5,"1-methoxy-2-phenyl-3H-naphtho[2,1,8-mna]thioxanthen-3-one","1-methoxy-2-phenyl-3H-naphtho[2,1,8-mna]thioxanthen-3-one",COC1=C(C(=O)c2ccc3Sc4ccccc4c5ccc1c2c35)c6ccccc6,COC1=C(C(=O)c2ccc3Sc4ccccc4c5ccc1c2c35)c6ccccc6,"InChI=1/C26H16O2S/c1-28-26-19-12-11-17-16-9-5-6-10-20(16)29-21-14-13-18(23(19)24(17)21)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3",C26H16O2S,,,,,,AEJVUKBFJZTFCE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.942,252-752-6,35843-75-5,N-(triphenylphosphoranylidene)-m-toluidine,[(3-methylphenyl)imino](triphenyl)phosphorane,Cc1cccc(c1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4,Cc1cccc(c1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H22NP/c1-21-12-11-13-22(20-21)26-27(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-20H,1H3",C25H22NP,,,,,,APAFUCDSCJBJKH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.944,252-754-7,35846-53-8,Maitansine,maytansine,CO[C@@H]1\\C=C\\C=C(/C)\\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)C)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4,CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)C)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4,"InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)",C34H46ClN3O10,,,,,,WKPWGQKGSOKKOO-RSFHAFMBSA-N,,,,,,,,,,,
100.047.964,252-776-7,35884-42-5,(2-butoxymethylethoxy)propanol,1-(3-butoxypropoxy)propan-1-ol,CCCCOCCCOC(O)CC,CCCCOCCCOC(O)CC,"InChI=1/C10H22O3/c1-3-5-7-12-8-6-9-13-10(11)4-2/h10-11H,3-9H2,1-2H3",C10H22O3,,,,,,LNFLHXZJCVGTSO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.967,252-779-3,35892-17-2,2-chloro-6-nitro-N-phenylaniline,2-chloro-6-nitro-N-phenylaniline,[O-][N+](=O)c1cccc(Cl)c1Nc2ccccc2,[O-][N+](=O)c1cccc(Cl)c1Nc2ccccc2,"InChI=1/C12H9ClN2O2/c13-10-7-4-8-11(15(16)17)12(10)14-9-5-2-1-3-6-9/h1-8,14H",C12H9ClN2O2,,,,,,KCIOLUSHFMDLKF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.973,252-786-1,35898-30-7,"Thymidine 3',5'-dibenzoate","3',5'-di-O-benzoylthymidine",CC1=CN([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](COC(=O)c4ccccc4)O2)C(=O)NC1=O,CC1=CN([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](COC(=O)c4ccccc4)O2)C(=O)NC1=O,"InChI=1/C24H22N2O7/c1-15-13-26(24(30)25-21(15)27)20-12-18(33-23(29)17-10-6-3-7-11-17)19(32-20)14-31-22(28)16-8-4-2-5-9-16/h2-11,13,18-20H,12,14H2,1H3,(H,25,27,30)",C24H22N2O7,,,,,,SNKWLBSAKXIYKF-XUVXKRRUSA-N,,,,,,,,,,,
100.051.287,256-434-8,49701-19-1,3-amino-N-[4-(aminocarbonyl)phenyl]-4-methoxybenzamide,3-amino-N-(4-carbamoylphenyl)-4-methoxybenzamide,COc1ccc(cc1N)C(=O)Nc2ccc(cc2)C(=O)N,COc1ccc(cc1N)C(=O)Nc2ccc(cc2)C(=O)N,"InChI=1/C15H15N3O3/c1-21-13-7-4-10(8-12(13)16)15(20)18-11-5-2-9(3-6-11)14(17)19/h2-8H,16H2,1H3,(H2,17,19)(H,18,20)",C15H15N3O3,,,,,,WHUUHAOHJPBCHR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.511,258-881-4,53950-28-0,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxy-5-(methylamino)phenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxy-5-(methylamino)phenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(NC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(NC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C16H15BrN6O6/c1-8(24)19-11-6-13(18-2)15(29-3)7-12(11)20-21-16-10(17)4-9(22(25)26)5-14(16)23(27)28/h4-7,18H,1-3H3,(H,19,24)",C16H15BrN6O6,,,,,,QBILVGKVVDFNJB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.513,258-884-0,53950-58-6,"[R-[R*,R*-(E)]]-3,7,11,15-tetramethylhexadec-2-enyl palmitate","3,7,11,15-tetramethylhexadec-2-en-1-yl palmitate",CCCCCCCCCCCCCCCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C,CCCCCCCCCCCCCCCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36(37)38-31-30-35(6)28-22-27-34(5)26-21-25-33(4)24-20-23-32(2)3/h30,32-34H,7-29,31H2,1-6H3",C36H70O2,,,,,,JDFCEOMVLWWUMP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.517,258-888-2,53957-33-8,"2,5-dimethylbenzyl alcohol","(2,5-dimethylphenyl)methanol",Cc1ccc(C)c(CO)c1,Cc1ccc(C)c(CO)c1,"InChI=1/C9H12O/c1-7-3-4-8(2)9(5-7)6-10/h3-5,10H,6H2,1-2H3",C9H12O,,,,,,LEBQTCCCNMTXSF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.519,258-890-3,53963-07-8,(E)-5-decen-1-yne,dec-5-en-1-yne,CCCC\\C=C\\CCC#C,CCCC\C=C\CCC#C,"InChI=1/C10H16/c1-3-5-7-9-10-8-6-4-2/h1,9-10H,4-8H2,2H3",C10H16,,,,,,LZIAORKGKKMTSM-MDZDMXLPSA-N,,,,,,,,,,,
100.053.520,258-891-9,53963-10-3,2-[(6-bromohexyl)oxy]tetrahydro-2H-pyran,2-[(6-bromohexyl)oxy]tetrahydro-2H-pyran,BrCCCCCCOC1CCCCO1,BrCCCCCCOC1CCCCO1,"InChI=1/C11H21BrO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h11H,1-10H2",C11H21BrO2,,,,,,CWSSIUJITPYGLK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.526,258-898-7,53983-00-9,Nibroxane,"5-bromo-2-methyl-5-nitro-1,3-dioxane",CC1OCC(Br)(CO1)[N+](=O)[O-],CC1OCC(Br)(CO1)[N+](=O)[O-],"InChI=1/C5H8BrNO4/c1-4-10-2-5(6,3-11-4)7(8)9/h4H,2-3H2,1H3",C5H8BrNO4,,,,,,VFBSFSGHILWWIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.533,258-905-3,53989-67-6,N-[2-[(2-hydroxyethyl)amino]ethyl]myristamide,N-{2-[(2-hydroxyethyl)amino]ethyl}tetradecanamide,CCCCCCCCCCCCCC(=O)NCCNCCO,CCCCCCCCCCCCCC(=O)NCCNCCO,"InChI=1/C18H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20-15-14-19-16-17-21/h19,21H,2-17H2,1H3,(H,20,22)",C18H38N2O2,,,,,,GFVTUBMIUWNDMN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.537,258-910-0,53994-83-5,p-nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,4-nitrobenzyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])Cl,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])Cl,"InChI=1/C14H12ClN3O5S/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22/h1-4,10,13H,5-6,16H2",C14H12ClN3O5S,,,,,,YLIOIMWNSIRKDG-GWCFXTLKSA-N,,,,,,,,,,,
100.053.539,258-912-1,54004-34-1,"3,4-dihydro-2,5-dimethyl-2H-pyran-2-methanol","(2,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)methanol",CC1=COC(C)(CO)CC1,CC1=COC(C)(CO)CC1,"InChI=1/C8H14O2/c1-7-3-4-8(2,6-9)10-5-7/h5,9H,3-4,6H2,1-2H3",C8H14O2,,,,,,HNVJQYHJDJMALK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.543,258-916-3,54009-73-3,"4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C12H8F19O5P/c13-4(14,1-3(32)2-36-37(33,34)35)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3,32H,1-2H2,(H2,33,34,35)",C12H8F19O5P,,,,,,SGZKPGFLGSWOJX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.544,258-917-9,54009-77-7,"[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-octacosafluoro-14-(trifluoromethyl)pentadecyl]oxirane","2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-octacosafluoro-14-(trifluoromethyl)pentadecyl]oxirane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C18H5F31O/c19-4(20,1-3-2-50-3)6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)15(40,41)13(36,37)11(32,33)9(28,29)7(24,25)5(21,17(44,45)46)18(47,48)49/h3H,1-2H2",C18H5F31O,,,,,,FPGGDOYJDKTVNV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.549,258-923-1,54013-18-2,5-chloro-2-(1H-tetrazol-5-yl)aniline,5-chloro-2-(1H-tetrazol-5-yl)aniline,Nc1cc(Cl)ccc1c2nnn[nH]2,Nc1cc(Cl)ccc1c2nnn[nH]2,"InChI=1/C7H6ClN5/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)",C7H6ClN5,,,,,,KKTZHFZXGZLTLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.550,258-924-7,54013-55-7,"4,4-dimethyloxazolidine-2-thione","4,4-dimethyl-1,3-oxazolidine-2-thione",CC1(C)COC(=S)N1,CC1(C)COC(=S)N1,"InChI=1/C5H9NOS/c1-5(2)3-7-4(8)6-5/h3H2,1-2H3,(H,6,8)",C5H9NOS,,,,,,VIMMIOUDVZQBAK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.666,256-852-0,50925-66-1,"Chromium chloride, basic",chromium(2+) dichloride,[Cl-].[Cl-].[Cr+2],[Cl-].[Cl-].[Cr+2],InChI=1/2ClH.Cr/h2*1H;/q;;+2/p-2,-,,,,,,XBWRJSSJWDOUSJ-UHFFFAOYSA-L,,,,,,,,,,,
100.052.656,257-941-7,52474-60-9,1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde,1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde,CC(=CCCC1=CCCC(C)(C1)C=O)C,CC(=CCCC1=CCCC(C)(C1)C=O)C,"InChI=1/C14H22O/c1-12(2)6-4-7-13-8-5-9-14(3,10-13)11-15/h6,8,11H,4-5,7,9-10H2,1-3H3",C14H22O,,,,,,MBVBLQFHVRGNLW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.657,257-942-2,52475-86-2,1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde,1-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde,CC(=CCCC1=CCC(C)(CC1)C=O)C,CC(=CCCC1=CCC(C)(CC1)C=O)C,"InChI=1/C14H22O/c1-12(2)5-4-6-13-7-9-14(3,11-15)10-8-13/h5,7,11H,4,6,8-10H2,1-3H3",C14H22O,,,,,,VUIWFNRBSGUSIN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.658,257-943-8,52475-89-5,3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde,3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde,CC(=CCCC1=CCCC(C1)C=O)C,CC(=CCCC1=CCCC(C1)C=O)C,"InChI=1/C13H20O/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3",C13H20O,,,,,,RKXHUEKKGCBVSR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.306,253-154-8,36675-34-0,Hexaglycerol,"4,8,12,16,20-pentaoxatricosane-1,2,6,10,14,18,22,23-octol",OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO,OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO,"InChI=1/C18H38O13/c19-1-13(21)3-27-5-15(23)7-29-9-17(25)11-31-12-18(26)10-30-8-16(24)6-28-4-14(22)2-20/h13-26H,1-12H2",C18H38O13,,,,,,FWTZRWTUPSQZOG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.313,253-162-1,36703-88-5,"Inosine, compound with (2-hydroxypropyl)dimethylammonium p-acetamidobenzoate (1:3)","inosine, compound with (2-hydroxypropyl)dimethylammonium p-acetamidobenzoate (1:3)",CC(O)C[NH+](C)C.CC(O)C[NH+](C)C.CC(O)C[NH+](C)C.CC(=O)Nc1ccc(cc1)C(=O)[O-].CC(=O)Nc2ccc(cc2)C(=O)[O-].CC(=O)Nc3ccc(cc3)C(=O)[O-].OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(O)ncnc56,CC(O)C[NH+](C)C.CC(O)C[NH+](C)C.CC(O)C[NH+](C)C.CC(=O)Nc1ccc(cc1)C(=O)[O-].CC(=O)Nc2ccc(cc2)C(=O)[O-].CC(=O)Nc3ccc(cc3)C(=O)[O-].OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(O)ncnc56,"InChI=1/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3",C10H12N4O5.3C9H9NO3.3C5H13NO,,,,,,YLDCUKJMEKGGFI-QCSRICIXSA-N,,,,,,,,,,,
100.048.324,253-174-7,36731-23-4,tert-butylanisole,1-tert-butyl-2-methoxybenzene,COc1ccccc1C(C)(C)C,COc1ccccc1C(C)(C)C,"InChI=1/C11H16O/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H3",C11H16O,,,,,,YIQUTYFGUKCQCY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.327,253-177-3,36732-60-2,Dihydrogen tetrabromoplatinate,platinum(4+) tetrabromide,Br[Pt-2](Br)(Br)Br,Br[Pt-2](Br)(Br)Br,InChI=1/4BrH.Pt/h4*1H;/q;;;;+4/p-4,Br4Pt.2H,,,,,,NDLRGHDUUNRQLL-UHFFFAOYSA-J,,,,,,,,,,,
100.048.330,253-181-5,36741-85-2,1-benzyl-2-[(hydroxyimino)methyl]pyridinium chloride,1-benzyl-2-[(hydroxyimino)methyl]pyridinium chloride,[Cl-].ON=Cc2cccc[n+]2Cc1ccccc1,[Cl-].ON=Cc2cccc[n+]2Cc1ccccc1,"InChI=1/C13H12N2O.ClH/c16-14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12;/h1-10H,11H2;1H",C13H13N2O.Cl,,,,,,DMOUGVRKNQFSTB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.332,253-183-6,36747-44-1,Calcium p-toluenesulphonate,calcium bis(4-methylbenzenesulfonate),[Ca+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],[Ca+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C7H8O3S.Ca/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",C7H8O3S.1/2Ca,,,,,,GVARKRUZKAZPOZ-UHFFFAOYSA-L,,,,,,,,,,,
100.048.342,253-194-6,36765-74-9,"4,4-diphenylbutylamine","4,4-diphenylbutan-1-amine",NCCCC(c1ccccc1)c2ccccc2,NCCCC(c1ccccc1)c2ccccc2,"InChI=1/C16H19N/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,17H2",C16H19N,,,,,,MAAQGZFMFXQVOG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.344,253-196-7,36768-48-6,"4,5'-dichloro-2'-hydroxychalcone",1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one,Oc1ccc(Cl)cc1C(=O)\\C=C\\c2ccc(Cl)cc2,Oc1ccc(Cl)cc1C(=O)\C=C\c2ccc(Cl)cc2,"InChI=1/C15H10Cl2O2/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,19H",C15H10Cl2O2,,,,,,TTWITESQDJUURJ-XVNBXDOJSA-N,,,,,,,,,,,
100.048.347,253-199-3,36770-75-9,"N-(3-chloropropyl)-3,4-dimethoxy-N-methylphenethylamine hydrochloride","3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine hydrochloride",Cl.COc1ccc(CCN(C)CCCCl)cc1OC,Cl.COc1ccc(CCN(C)CCCCl)cc1OC,"InChI=1/C14H22ClNO2.ClH/c1-16(9-4-8-15)10-7-12-5-6-13(17-2)14(11-12)18-3;/h5-6,11H,4,7-10H2,1-3H3;1H",C14H22ClNO2.ClH,,,,,,OXJTYZRBMQFHMP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.348,253-200-7,36772-64-2,3-ethyl-5-(1-methyl-(1H)-pyridin-2-ylidene)rhodanine,"3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one",CCN1C(=S)SC(=C2C=CC=CN2C)C1=O,CCN1C(=S)SC(=C2C=CC=CN2C)C1=O,"InChI=1/C11H12N2OS2/c1-3-13-10(14)9(16-11(13)15)8-6-4-5-7-12(8)2/h4-7H,3H2,1-2H3",C11H12N2OS2,,,,,,HLIACYSTIJITSD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.429,254-392-5,39266-67-6,"Dimethyl bis[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]malonate","dimethyl bis(3,5-di-tert-butyl-4-hydroxybenzyl)malonate",COC(=O)C(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C(=O)OC,COC(=O)C(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C(=O)OC,"InChI=1/C35H52O6/c1-31(2,3)23-15-21(16-24(27(23)36)32(4,5)6)19-35(29(38)40-13,30(39)41-14)20-22-17-25(33(7,8)9)28(37)26(18-22)34(10,11)12/h15-18,36-37H,19-20H2,1-14H3",C35H52O6,,,,,,DACLFYHENIWLCN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.432,254-395-1,39269-10-8,"Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid","adamantane-1,3-dicarboxylic acid",OC(=O)C12CC3CC(CC(C3)(C1)C(=O)O)C2,OC(=O)C12CC3CC(CC(C3)(C1)C(=O)O)C2,"InChI=1/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)",C12H16O4,,,,,,PAVQGHWQOQZQEH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.590,256-768-4,50793-86-7,4-cyanophenyl 4-octylbenzoate,4-cyanophenyl 4-octylbenzoate,CCCCCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,CCCCCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,"InChI=1/C22H25NO2/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)22(24)25-21-15-11-19(17-23)12-16-21/h9-16H,2-8H2,1H3",C22H25NO2,,,,,,SWACKDWUUGZDRD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.595,256-774-7,50807-71-1,(Z)-octadec-9-enyl chloroformate,octadec-9-en-1-yl chlorocarbonate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)Cl,CCCCCCCC\C=C/CCCCCCCCOC(=O)Cl,"InChI=1/C19H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h9-10H,2-8,11-18H2,1H3",C19H35ClO2,,,,,,WWHPFZLMAISGAI-KTKRTIGZSA-N,,,,,,,,,,,
100.051.601,256-781-5,50814-28-3,Sodium 4-[[4-[(2-phenyl-1H-indol-3-yl)azo]phenyl]azo]benzenesulphonate,sodium 4-({4-[(2-phenyl-1H-indol-3-yl)diazenyl]phenyl}diazenyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c5ccccc5nc3c4ccccc4,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c5ccccc5nc3c4ccccc4,"InChI=1/C26H19N5O3S.Na/c32-35(33,34)22-16-14-21(15-17-22)29-28-19-10-12-20(13-11-19)30-31-26-23-8-4-5-9-24(23)27-25(26)18-6-2-1-3-7-18;/h1-17,27H,(H,32,33,34);/q;+1/p-1",C26H19N5O3S.Na,,,,,,MYQSVLROTCOCBD-UHFFFAOYSA-M,,,,,,,,,,,
100.051.604,256-784-1,50816-18-7,9-decenyl acetate,dec-9-en-1-yl acetate,CC(=O)OCCCCCCCCC=C,CC(=O)OCCCCCCCCC=C,"InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3",C12H22O2,,,,,,PIQXMYAEJSMANF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.609,256-789-9,50818-84-3,3-ethyl-2-sulphonatobenzothiazolium,"3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate",CC[n+]1c(sc2ccccc12)S(=O)(=O)[O-],CC[n+]1c(sc2ccccc12)S(=O)(=O)[O-],"InChI=1/C9H9NO3S2/c1-2-10-7-5-3-4-6-8(7)14-9(10)15(11,12)13/h3-6H,2H2,1H3",C9H9NO3S2,,,,,,TXEMEBFCLLLUKO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.612,256-793-0,50841-46-8,"Ethyl 3,5-bis(benzyloxy)benzoate","ethyl 3,5-bis(benzyloxy)benzoate",CCOC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,CCOC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1,"InChI=1/C23H22O4/c1-2-25-23(24)20-13-21(26-16-18-9-5-3-6-10-18)15-22(14-20)27-17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3",C23H22O4,,,,,,RQXAEHUFPQJLDD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.613,256-794-6,50844-30-9,Trichlorothiazole,"2,4,5-trichloro-1,3-thiazole",Clc1nc(Cl)c(Cl)s1,Clc1nc(Cl)c(Cl)s1,InChI=1/C3Cl3NS/c4-1-2(5)8-3(6)7-1,C3Cl3NS,,,,,,FDWSIACICRBLGW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.616,256-797-2,50846-38-3,1-aminocyclohexanecarbonitrile hydrochloride,1-aminocyclohexanecarbonitrile hydrochloride,Cl.NC1(CCCCC1)C#N,Cl.NC1(CCCCC1)C#N,"InChI=1/C7H12N2.ClH/c8-6-7(9)4-2-1-3-5-7;/h1-5,9H2;1H",C7H12N2.ClH,,,,,,UZDHDPDJHBPQTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.127,259-560-1,55268-75-2,Cefuroxime,3-[(carbamoyloxy)methyl]-7-{[2-furyl(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,O=C3N1/C(=C(\\CS[C@@H]1[C@@H]3NC(=O)C(=NOC)c2ccco2)COC(N)=O)C(O)=O,O=C3N1/C(=C(\CS[C@@H]1[C@@H]3NC(=O)C(=NOC)c2ccco2)COC(N)=O)C(O)=O,"InChI=1/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)",C16H16N4O8S,,,,,,JFPVXVDWJQMJEE-QMTHXVAHSA-N,,,,,,,,,,,
100.053.629,259-011-6,54172-18-8,"Diethyl sulphate, compound with hexahydro-1H-azepine-1-carbaldehyde (1:1)",diethyl sulfate - azepane-1-carbaldehyde (1:1),CCOS(=O)(=O)OCC.O=CN1CCCCCC1,CCOS(=O)(=O)OCC.O=CN1CCCCCC1,"InChI=1/C7H13NO.C4H10O4S/c9-7-8-5-3-1-2-4-6-8;1-3-7-9(5,6)8-4-2/h7H,1-6H2;3-4H2,1-2H3",C7H13NO.C2H6O4S,,,,,,MRFGFFUNIWOILA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.630,259-012-1,54172-97-3,"1,5-anhydro-D-glucitol 3,4,6-tridodecanoate","1,5-anhydro-3,4,6-tri-O-dodecanoyl-D-glucitol",CCCCCCCCCCCC(=O)OC[C@H]1OC[C@H](O)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OC[C@H]1OC[C@H](O)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,"InChI=1/C42H78O8/c1-4-7-10-13-16-19-22-25-28-31-38(44)48-35-37-42(50-40(46)33-30-27-24-21-18-15-12-9-6-3)41(36(43)34-47-37)49-39(45)32-29-26-23-20-17-14-11-8-5-2/h36-37,41-43H,4-35H2,1-3H3",C42H78O8,,,,,,AIQOMNHTLTZMDO-ZUVXNSEBSA-N,,,,,,,,,,,
100.051.298,256-446-3,49721-45-1,"Pyrimidine-4,5,6-triamine sulphate (1:1)",-,Nc1ncnc(N)c1N.[O-]S(=O)(=O)[O-],Nc1ncnc(N)c1N.[O-]S(=O)(=O)[O-],"InChI=1/C4H7N5.H2O4S/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4)/p-2",C4H7N5.H2O4S,,,,,,RKJICTKHLYLPLY-UHFFFAOYSA-L,,,,,,,,,,,
100.051.300,256-448-4,49722-97-6,"1,7-dihydro-2H-adenine-2-thione sulphate","6-amino-1,7-dihydro-2H-purine-2-thione sulfate",NC1=C2NC=NC2=NC(=S)N1.OS(=O)(=O)O,NC1=C2NC=NC2=NC(=S)N1.OS(=O)(=O)O,"InChI=1/C5H5N5S.H2O4S/c6-3-2-4(8-1-7-2)10-5(11)9-3;1-5(2,3)4/h1H,(H4,6,7,8,9,10,11);(H2,1,2,3,4)",C5H5N5S.xH2O4S,,,,,,FLNFWLBPIADEAA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.302,256-451-0,49734-90-9,Ethylmethyl[[[(1-oxoallyl)amino]methyl]ethyl]ammonium methyl sulphate,1-(acryloylamino)-N-ethyl-N-methylpropan-2-aminium methyl sulfate,CC[NH+](C)C(C)CNC(=O)C=C.COS(=O)(=O)[O-],CC[NH+](C)C(C)CNC(=O)C=C.COS(=O)(=O)[O-],"InChI=1/C9H18N2O.CH4O4S/c1-5-9(12)10-7-8(3)11(4)6-2;1-5-6(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,10,12);1H3,(H,2,3,4)",C9H19N2O.CH3O4S,,,,,,SWLWVASERHFRLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.303,256-452-6,49735-69-5,"2-methyl-5-nitrobenzenediazonium naphthalene-1,5-disulphonate (1:1)",-,Cc1ccc(cc1[N+]#N)[N+](=O)[O-].[O-]S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)[O-],Cc1ccc(cc1[N+]#N)[N+](=O)[O-].[O-]S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.C7H6N3O2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-2-3-6(10(11)12)4-7(5)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-2",C10H7O6S2.C7H6N3O2,,,,,,FRJDQOUNVXFENF-UHFFFAOYSA-L,,,,,,,,,,,
100.051.305,256-454-7,49742-56-5,"Methyl 4'-methyl[1,1'-biphenyl]-4-carboxylate",methyl 4'-methylbiphenyl-4-carboxylate,COC(=O)c1ccc(cc1)c2ccc(C)cc2,COC(=O)c1ccc(cc1)c2ccc(C)cc2,"InChI=1/C15H14O2/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17-2/h3-10H,1-2H3",C15H14O2,,,,,,NSUWJKRQGXBISO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.310,256-459-4,49744-32-3,"4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[o-cresol]","4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(2-methylphenol)",Clc2cc(ccc2N=Nc1cc(C)c(O)cc1)c4ccc(N=Nc3cc(C)c(O)cc3)c(Cl)c4,Clc2cc(ccc2N=Nc1cc(C)c(O)cc1)c4ccc(N=Nc3cc(C)c(O)cc3)c(Cl)c4,"InChI=1/C26H20Cl2N4O2/c1-15-11-19(5-9-25(15)33)29-31-23-7-3-17(13-21(23)27)18-4-8-24(22(28)14-18)32-30-20-6-10-26(34)16(2)12-20/h3-14,33-34H,1-2H3",C26H20Cl2N4O2,,,,,,RKYWHGMMZMVODH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.315,256-465-7,49748-25-6,3-isopropenyl-1-methyl-2-methylenecyclopentan-1-ol,3-isopropenyl-1-methyl-2-methylenecyclopentanol,CC(=C)C1CCC(C)(O)C1=C,CC(=C)C1CCC(C)(O)C1=C,"InChI=1/C10H16O/c1-7(2)9-5-6-10(4,11)8(9)3/h9,11H,1,3,5-6H2,2,4H3",C10H16O,,,,,,YMDBBTFDBCRGLP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.319,256-469-9,49753-68-6,(6R-trans)-7-amino-3-[[(2-methyl-2H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-{[(2-methyl-2H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,Cn1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O)n1,Cn1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O)n1,"InChI=1/C10H12N6O3S2/c1-15-13-10(12-14-15)21-3-4-2-20-8-5(11)7(17)16(8)6(4)9(18)19/h5,8H,2-3,11H2,1H3,(H,18,19)",C10H12N6O3S2,,,,,,YSJAUKRNDUDOGZ-XNCJUZBTSA-N,,,,,,,,,,,
100.051.321,256-472-5,49755-88-6,"(±)-3-[[[1-(hydroxymethyl)-2-(methylamino)-2-oxoethyl]amino]carbonyl]-2,4,6-triiodo-5-[(methoxyacetyl)amino]benzoic acid","3-{[1-(hydroxymethyl)-2-(methylamino)-2-oxoethyl]carbamoyl}-2,4,6-triiodo-5-[(methoxyacetyl)amino]benzoic acid",CNC(=O)C(CO)NC(=O)c1c(I)c(NC(=O)COC)c(I)c(C(=O)O)c1I,CNC(=O)C(CO)NC(=O)c1c(I)c(NC(=O)COC)c(I)c(C(=O)O)c1I,"InChI=1/C15H16I3N3O7/c1-19-13(24)5(3-22)20-14(25)7-9(16)8(15(26)27)11(18)12(10(7)17)21-6(23)4-28-2/h5,22H,3-4H2,1-2H3,(H,19,24)(H,20,25)(H,21,23)(H,26,27)",C15H16I3N3O7,,,,,,NPCYYZYVQAQDBM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.323,256-474-6,49757-42-8,"4,4',4''-trimethoxytrityl chloride","1,1',1''-(chloromethanetriyl)tris(4-methoxybenzene)",COc1ccc(cc1)C(Cl)(c2ccc(OC)cc2)c3ccc(OC)cc3,COc1ccc(cc1)C(Cl)(c2ccc(OC)cc2)c3ccc(OC)cc3,"InChI=1/C22H21ClO3/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3",C22H21ClO3,,,,,,OBFCMKPFILBCSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.325,256-476-7,49763-60-2,4-[(4-pentylbenzylidene)amino]benzonitrile,4-[(4-pentylbenzylidene)amino]benzonitrile,CCCCCc2ccc(C=Nc1ccc(cc1)C#N)cc2,CCCCCc2ccc(C=Nc1ccc(cc1)C#N)cc2,"InChI=1/C19H20N2/c1-2-3-4-5-16-6-8-18(9-7-16)15-21-19-12-10-17(14-20)11-13-19/h6-13,15H,2-5H2,1H3",C19H20N2,,,,,,FCQPUXSTFWFVHK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.996,256-114-8,43138-66-5,"1,2-O-(isopropylidene)-3-O-methyl-a-D-xylo-pentodialdo-1,4-furanose","1,2-O-isopropylidene-3-O-methyl-alpha-D-xylo-pentodialdo-1,4-furanose",CO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C=O,CO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C=O,"InChI=1/C9H14O5/c1-9(2)13-7-6(11-3)5(4-10)12-8(7)14-9/h4-8H,1-3H3",C9H14O5,,,,,,BFEXGNFZCNYWCG-ULAWRXDQSA-N,,,,,,,,,,,
100.052.631,257-913-4,52434-90-9,"1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione",BrCC(Br)CN1C(=O)N(CC(Br)CBr)C(=O)N(CC(Br)CBr)C1=O,BrCC(Br)CN1C(=O)N(CC(Br)CBr)C(=O)N(CC(Br)CBr)C1=O,"InChI=1/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2",C12H15Br6N3O3,,,,,,NZUPFZNVGSWLQC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.678,256-865-1,50957-96-5,"Phosphoric acid, dodecyl ester, sodium salt",sodium dodecyl hydrogen phosphate,[Na+].CCCCCCCCCCCCOP(=O)(O)[O-],[Na+].CCCCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C12H27O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1",-,,,,,,JDSVWTAJRNTSSL-UHFFFAOYSA-M,,,,,,,,,,,
100.051.686,256-874-0,50976-02-8,"3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl acrylate","3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-1-yl acrylate",C=CC(=O)OC1C=CC2C3CC(C=C3)C12,C=CC(=O)OC1C=CC2C3CC(C=C3)C12,"InChI=1/C13H14O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2-6,8-11,13H,1,7H2",C13H14O2,,,,,,VEVJYJYFAXTUGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.688,256-876-1,50976-18-6,Tetrahydrofurandiol,"tetrahydrofuran-2,3-diol",OC1CCOC1O,OC1CCOC1O,"InChI=1/C4H8O3/c5-3-1-2-7-4(3)6/h3-6H,1-2H2",C4H8O3,,,,,,LBTOSGHVABTIRX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.695,256-884-5,50978-79-5,"2-(3-chlorophenyl)-4-[[5-(ethylsulphonyl)-2-hydroxyphenyl]azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one","2-(3-chlorophenyl)-4-{[5-(ethylsulfonyl)-2-hydroxyphenyl]diazenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CCS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)cc3,CCS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)cc3,"InChI=1/C18H17ClN4O4S/c1-3-28(26,27)14-7-8-16(24)15(10-14)20-21-17-11(2)22-23(18(17)25)13-6-4-5-12(19)9-13/h4-10,17,24H,3H2,1-2H3",C18H17ClN4O4S,,,,,,ZPRGZCDOVOUNJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.698,256-887-1,50980-81-9,"5-oxo-DL-proline, compound with methyl N2-lauroyl-L-argininate (1:1)",5-oxo-L-proline - methyl N~2~-dodecanoyl-L-argininate (1:1),CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OC.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C19H38N4O3.C5H7NO3/c1-3-4-5-6-7-8-9-10-11-14-17(24)23-16(18(25)26-2)13-12-15-22-19(20)21;7-4-2-1-3(6-4)5(8)9/h16H,3-15H2,1-2H3,(H,23,24)(H4,20,21,22);3H,1-2H2,(H,6,7)(H,8,9)",C19H38N4O3.C5H7NO3,,,,,,DNJMIOMRJFMJFG-IOIXYPRTSA-N,,,,,,,,,,,
100.051.701,256-890-8,50982-79-1,"1-methyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane iodide","1-methyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane",C[N+]12CN3CN(CN(C3)C1)C2,C[N+]12CN3CN(CN(C3)C1)C2,"InChI=1/C7H15N4/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h2-7H2,1H3/q+1",C7H15N4.I,,,,,,ZWRDTZZCWMQVJM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.708,256-898-1,50992-43-3,4-chloro-2-isopropyl-m-cresol,4-chloro-2-isopropyl-3-methylphenol,CC(C)c1c(C)c(Cl)ccc1O,CC(C)c1c(C)c(Cl)ccc1O,"InChI=1/C10H13ClO/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-6,12H,1-3H3",C10H13ClO,,,,,,JSOXHHYKGWBWGR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.709,256-899-7,50992-44-4,4-chloro-5-isopropyl-m-cresol,4-chloro-3-isopropyl-5-methylphenol,CC(C)c1cc(O)cc(C)c1Cl,CC(C)c1cc(O)cc(C)c1Cl,"InChI=1/C10H13ClO/c1-6(2)9-5-8(12)4-7(3)10(9)11/h4-6,12H,1-3H3",C10H13ClO,,,,,,QPDXBKHZJRUURK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.650,253-534-3,37514-30-0,1-methoxy-1-methylcyclododecane,1-methoxy-1-methylcyclododecane,COC1(C)CCCCCCCCCCC1,COC1(C)CCCCCCCCCCC1,"InChI=1/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3",C14H28O,,,,,,QACBYNLZEUNZSC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.655,253-540-6,37517-81-0,Methyl 3-chloro-3-oxopropionate,methyl 3-chloro-3-oxopropanoate,COC(=O)CC(=O)Cl,COC(=O)CC(=O)Cl,"InChI=1/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3",C4H5ClO3,,,,,,UTBCRHAMJFMIIR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.657,253-542-7,37525-44-3,"5-(benzothiazol-2-ylthio)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione","5-(1,3-benzothiazol-2-ylsulfanyl)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione",S=C1SC(=NN1c2ccccc2)Sc3nc4ccccc4s3,S=C1SC(=NN1c2ccccc2)Sc3nc4ccccc4s3,InChI=1/C15H9N3S4/c19-15-18(10-6-2-1-3-7-10)17-14(22-15)21-13-16-11-8-4-5-9-12(11)20-13/h1-9H,C15H9N3S4,,,,,,GLDUYWAMKOSGDL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.662,253-547-4,37539-03-0,"(6R-trans)-7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CSc3c[nH]nn3,N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CSc3c[nH]nn3,"InChI=1/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)",C10H11N5O3S2,,,,,,MLOZJRLUNNFSGD-RCOVLWMOSA-N,,,,,,,,,,,
100.048.666,253-552-1,37561-27-6,Fenoverine,"10-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}-10H-phenothiazine",O=C(CN1CCN(Cc2ccc3OCOc3c2)CC1)N4c5ccccc5Sc6ccccc46,O=C(CN1CCN(Cc2ccc3OCOc3c2)CC1)N4c5ccccc5Sc6ccccc46,"InChI=1/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2",C26H25N3O3S,,,,,,UBAJTZKNDCEGKL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.670,253-556-3,37589-10-9,"Sodium a-hydroxy-3,4-methylenedioxytoluene-a-sulphonate","sodium 1,3-benzodioxol-5-yl(hydroxy)methanesulfonate",[Na+].OC(c1ccc2OCOc2c1)S(=O)(=O)[O-],[Na+].OC(c1ccc2OCOc2c1)S(=O)(=O)[O-],"InChI=1/C8H8O6S.Na/c9-8(15(10,11)12)5-1-2-6-7(3-5)14-4-13-6;/h1-3,8-9H,4H2,(H,10,11,12);/q;+1/p-1",C8H8O6S.Na,,,,,,ZOCIKXHZLTYYIS-UHFFFAOYSA-M,,,,,,,,,,,
100.048.674,253-561-0,37595-59-8,"N,N-diisobutyloleamide","N,N-diisobutyloctadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)N(CC(C)C)CC(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)N(CC(C)C)CC(C)C,"InChI=1/C26H51NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24(2)3)23-25(4)5/h13-14,24-25H,6-12,15-23H2,1-5H3",C26H51NO,,,,,,CDGZMJQGBQRSFY-YPKPFQOOSA-N,,,,,,,,,,,
100.048.349,253-201-2,36775-31-2,"(R)-(phenylacetyl)ammonium (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonate","1-oxo-2-phenylethanaminium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2.[NH3+]C(=O)Cc3ccccc3,CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2.[NH3+]C(=O)Cc3ccccc3,"InChI=1/C10H16O4S.C8H9NO/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;9-8(10)6-7-4-2-1-3-5-7/h7H,3-6H2,1-2H3,(H,12,13,14);1-5H,6H2,(H2,9,10)",C10H16O4S.C8H9NO2,,,,,,OPQQZAIKOHWQML-DLGLCQKISA-N,,,,,,,,,,,
100.048.351,253-203-3,36779-89-2,"4-(isopropyl)-a,ß-dimethylcyclohexylpropan-1-ol",3-(4-isopropylcyclohexyl)-2-methylbutan-1-ol,CC(C)C1CCC(CC1)C(C)C(C)CO,CC(C)C1CCC(CC1)C(C)C(C)CO,"InChI=1/C14H28O/c1-10(2)13-5-7-14(8-6-13)12(4)11(3)9-15/h10-15H,5-9H2,1-4H3",C14H28O,,,,,,FQKVGVQMTHVEHH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.979,252-792-4,35925-48-5,Tetrapropylammonium trifluoromethanesulphonate,"N,N,N-tripropylpropan-1-aminium trifluoromethanesulfonate",CCC[N+](CCC)(CCC)CCC.[O-]S(=O)(=O)C(F)(F)F,CCC[N+](CCC)(CCC)CCC.[O-]S(=O)(=O)C(F)(F)F,"InChI=1/C12H28N.CHF3O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)8(5,6)7/h5-12H2,1-4H3;(H,5,6,7)/q+1;/p-1",C12H28N.CF3O3S,,,,,,IGVWFPZXBUTUCG-UHFFFAOYSA-M,,,,,,,,,,,
100.047.983,252-797-1,35926-76-2,"2',3',10,11-tetrahydro-2'-methylspiro[5H-dibenzo[a,d]cycloheptene-5,1'-[1H]isoindole]","2'-methyl-2',3',10,11-tetrahydrospiro[dibenzo[a,d][7]annulene-5,1'-isoindole]",CN1Cc2ccccc2C13c4ccccc4CCc5ccccc35,CN1Cc2ccccc2C13c4ccccc4CCc5ccccc35,"InChI=1/C23H21N/c1-24-16-19-10-4-7-13-22(19)23(24)20-11-5-2-8-17(20)14-15-18-9-3-6-12-21(18)23/h2-13H,14-16H2,1H3",C23H21N,,,,,,LHTVZDOHGJLKNS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.984,252-798-7,35926-77-3,"10,11-dihydro-2'-methylspiro[5H-dibenzo[a,d]cycloheptene-5,1'-[1H]isoindole]-3'(2'H)-one","2'-methyl-10,11-dihydrospiro[dibenzo[a,d][7]annulene-5,1'-isoindol]-3'(2'H)-one",CN1C(=O)c2ccccc2C13c4ccccc4CCc5ccccc35,CN1C(=O)c2ccccc2C13c4ccccc4CCc5ccccc35,"InChI=1/C23H19NO/c1-24-22(25)18-10-4-7-13-21(18)23(24)19-11-5-2-8-16(19)14-15-17-9-3-6-12-20(17)23/h2-13H,14-15H2,1H3",C23H19NO,,,,,,NGMFSGAQSFCZQT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.989,252-803-2,35944-64-0,3-iodo-p-toluidine,3-iodo-4-methylaniline,Cc1ccc(N)cc1I,Cc1ccc(N)cc1I,"InChI=1/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3",C7H8IN,,,,,,RRUDMHNAMZFNEK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.993,252-807-4,35946-91-9,"2,5-diisopropylphenol","2,5-diisopropylphenol",CC(C)c1ccc(C(C)C)c(O)c1,CC(C)c1ccc(C(C)C)c(O)c1,"InChI=1/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3",C12H18O,,,,,,VFNUNYPYULIJSN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.997,252-812-1,35947-12-7,1-(4-methoxyphenyl)-2-methylpiperazine,1-(4-methoxyphenyl)-2-methylpiperazine,COc1ccc(cc1)N2CCNCC2C,COc1ccc(cc1)N2CCNCC2C,"InChI=1/C12H18N2O/c1-10-9-13-7-8-14(10)11-3-5-12(15-2)6-4-11/h3-6,10,13H,7-9H2,1-2H3",C12H18N2O,,,,,,LSIROHVGZARUJC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.504,254-474-0,39495-15-3,N-(4-hydroxy-2-methylphenyl)acetamide,N-(4-hydroxy-2-methylphenyl)acetamide,CC(=O)Nc1ccc(O)cc1C,CC(=O)Nc1ccc(O)cc1C,"InChI=1/C9H11NO2/c1-6-5-8(12)3-4-9(6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)",C9H11NO2,,,,,,JPLCVGBNQZNQBO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.511,254-481-9,39512-51-1,1-(o-tolyl)piperazine,1-(2-methylphenyl)piperazine,Cc1ccccc1N2CCNCC2,Cc1ccccc1N2CCNCC2,"InChI=1/C11H16N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",C11H16N2,,,,,,WICKLEOONJPMEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.512,254-482-4,39514-19-7,Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate,ethyl 1-benzyl-3-oxopiperidine-4-carboxylate,CCOC(=O)C1CCN(Cc2ccccc2)CC1=O,CCOC(=O)C1CCN(Cc2ccccc2)CC1=O,"InChI=1/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3",C15H19NO3,,,,,,JYFGIESQUYQLGM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.514,254-485-0,39515-41-8,"a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate","cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate",CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,"InChI=1/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3",C22H23NO3,,,,,,XQUXKZZNEFRCAW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.522,254-493-4,39526-01-7,"Propyl 2,4-dioxovalerate","propyl 2,4-dioxopentanoate",CCCOC(=O)C(=O)CC(=O)C,CCCOC(=O)C(=O)CC(=O)C,"InChI=1/C8H12O4/c1-3-4-12-8(11)7(10)5-6(2)9/h3-5H2,1-2H3",C8H12O4,,,,,,JTIYNCLFBJDPQN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.332,256-484-0,49773-60-6,Benzylidene bis(dimethyldithiocarbamate),phenylmethylene bis[dimethyl(dithiocarbamate)],CN(C)C(=S)SC(SC(=S)N(C)C)c1ccccc1,CN(C)C(=S)SC(SC(=S)N(C)C)c1ccccc1,"InChI=1/C13H18N2S4/c1-14(2)12(16)18-11(19-13(17)15(3)4)10-8-6-5-7-9-10/h5-9,11H,1-4H3",C13H18N2S4,,,,,,ADHMSYVDAOEEPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.333,256-485-6,49776-32-1,"N,N,N',N'-tetrakis(2-(nitrooxy)ethyl)ethylenediammonium dinitrate","N,N,N',N'-tetrakis[2-(nitrooxy)ethyl]ethane-1,2-diaminium dinitrate",[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)OCC[NH+](CCO[N+](=O)[O-])CC[NH+](CCO[N+](=O)[O-])CCO[N+](=O)[O-],[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)OCC[NH+](CCO[N+](=O)[O-])CC[NH+](CCO[N+](=O)[O-])CCO[N+](=O)[O-],InChI=1/C10H20N6O12.2NO3/c17-13(18)25-7-3-11(4-8-26-14(19)20)1-2-12(5-9-27-15(21)22)6-10-28-16(23)24;2*2-1(3)4/h1-10H2;;/q;2*-1/p+2,C10H20N6O12.2HNO3,,,,,,YVWDMZIERGENLP-UHFFFAOYSA-P,,,,,,,,,,,
100.053.631,259-013-7,54173-03-4,Disodium D-glucarate,"disodium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Na+].[Na+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[Na+].[Na+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/C6H10O8.2Na/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2",C6H10O8.2Na,,,,,,IDAGXRIGDWCIET-SDFKWCIISA-L,,,,,,,,,,,
100.053.633,259-015-8,54179-01-0,"Sodium 4,5-dihydroxynaphthalene-1-sulphonate","sodium 4,5-dihydroxynaphthalene-1-sulfonate",[Na+].Oc1cccc2c(ccc(O)c12)S(=O)(=O)[O-],[Na+].Oc1cccc2c(ccc(O)c12)S(=O)(=O)[O-],"InChI=1/C10H8O5S.Na/c11-7-3-1-2-6-9(16(13,14)15)5-4-8(12)10(6)7;/h1-5,11-12H,(H,13,14,15);/q;+1/p-1",C10H8O5S.Na,,,,,,JHHXMIZEZYUKLW-UHFFFAOYSA-M,,,,,,,,,,,
100.053.638,259-021-0,54187-04-1,"N-(dicyclopropylmethyl)-4,5-dihydrooxazol-2-amine","N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine",C1CN=C(NC(C2CC2)C3CC3)O1,C1CN=C(NC(C2CC2)C3CC3)O1,"InChI=1/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)",C10H16N2O,,,,,,CQXADFVORZEARL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.640,259-023-1,54196-62-2,"2',5-dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone","{5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl}(2-chlorophenyl)methanone",Cc1nnc(CO)n1c2ccc(Cl)cc2C(=O)c3ccccc3Cl,Cc1nnc(CO)n1c2ccc(Cl)cc2C(=O)c3ccccc3Cl,"InChI=1/C17H13Cl2N3O2/c1-10-20-21-16(9-23)22(10)15-7-6-11(18)8-13(15)17(24)12-4-2-3-5-14(12)19/h2-8,23H,9H2,1H3",C17H13Cl2N3O2,,,,,,AXAAMTSBUQOVSO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.645,259-028-9,54211-46-0,4''-pentyl-p-terphenyl-4-carbonitrile,"4''-pentyl-1,1':4',1''-terphenyl-4-carbonitrile",CCCCCc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C#N,CCCCCc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C#N,"InChI=1/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3",C24H23N,,,,,,AITQOXOBSMXBRV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.649,259-033-6,54229-13-9,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium chloride,"N-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-2-hydroxy-N,N-dimethylpropan-1-aminium chloride",[Cl-].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O,[Cl-].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O,"InChI=1/C21H29ClN5O3.ClH/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H/q+1;/p-1",C21H29ClN5O3.Cl,,,,,,ACBFJDARQXVXLX-UHFFFAOYSA-M,,,,,,,,,,,
100.053.651,259-035-7,54230-60-3,"1-[[2,4,6-tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole","1-[(2,4,6-triisopropylphenyl)sulfonyl]-1H-1,2,4-triazole",CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2cncn2,CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n2cncn2,"InChI=1/C17H25N3O2S/c1-11(2)14-7-15(12(3)4)17(16(8-14)13(5)6)23(21,22)20-10-18-9-19-20/h7-13H,1-6H3",C17H25N3O2S,,,,,,BKJMMUUBRUWPPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.654,259-038-3,54241-45-1,"5-amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one","5-amino-2-(2-chloro-4,6-dimethylphenyl)-2,4-dihydro-3H-pyrazol-3-one",Cc1cc(C)c(N2N=C(N)CC2=O)c(Cl)c1,Cc1cc(C)c(N2N=C(N)CC2=O)c(Cl)c1,"InChI=1/C11H12ClN3O/c1-6-3-7(2)11(8(12)4-6)15-10(16)5-9(13)14-15/h3-4H,5H2,1-2H3,(H2,13,14)",C11H12ClN3O,,,,,,CIBYYNKTGAUUAG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.659,259-044-6,54247-25-5,"1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol hydrochloride","1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol hydrochloride",Cl.CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl,Cl.CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl,"InChI=1/C13H19Cl2NO2.ClH/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15;/h4-6,10,16-17H,7-8H2,1-3H3;1H",C13H19Cl2NO2.ClH,,,,,,GSMITOPOWVFGOM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.670,259-056-1,54268-90-5,"4,4'-[4-(2,3-dihydro-1,3,3-trimethyl-1H-indol-2-yl)buta-1,3-dienylidene]bis[N,N-dimethylaniline]","4,4'-[4-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-yl)buta-1,3-diene-1,1-diyl]bis(N,N-dimethylaniline)",CN(C)c1ccc(cc1)/C(=C\\C=CC3N(C)c2ccccc2C3(C)C)c4ccc(cc4)N(C)C,CN(C)c1ccc(cc1)/C(=C\C=CC3N(C)c2ccccc2C3(C)C)c4ccc(cc4)N(C)C,"InChI=1/C31H37N3/c1-31(2)28-12-8-9-13-29(28)34(7)30(31)14-10-11-27(23-15-19-25(20-16-23)32(3)4)24-17-21-26(22-18-24)33(5)6/h8-22,30H,1-7H3",C31H37N3,,,,,,AVBBJFZWWYSGND-UHFFFAOYSA-N,,,,,,,,,,,
100.048.225,253-064-9,36497-92-4,Diethylmethyl[2-[(2-methyl-1-oxoallyl)amino]ethyl]ammonium methyl sulphate,N-[2-(methacryloylamino)ethyl]pentan-3-aminium methyl sulfate,CCC(CC)[NH2+]CCNC(=O)C(=C)C.COS(=O)(=O)[O-],CCC(CC)[NH2+]CCNC(=O)C(=C)C.COS(=O)(=O)[O-],"InChI=1/C11H22N2O.CH4O4S/c1-5-10(6-2)12-7-8-13-11(14)9(3)4;1-5-6(2,3)4/h10,12H,3,5-8H2,1-2,4H3,(H,13,14);1H3,(H,2,3,4)",C11H23N2O.CH3O4S,,,,,,CTIAOQLYJCGVON-UHFFFAOYSA-N,,,,,,,,,,,
100.048.231,253-071-7,36505-52-9,"3-[[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulphonic acid","3-({4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxy-1-naphthyl}diazenyl)-4-hydroxybenzenesulfonic acid",Oc4ccc(cc4N=Nc2c1ccccc1c(cc2O)C(=O)Nc3ccc(C)cc3C)S(O)(=O)=O,Oc4ccc(cc4N=Nc2c1ccccc1c(cc2O)C(=O)Nc3ccc(C)cc3C)S(O)(=O)=O,"InChI=1/C25H21N3O6S/c1-14-7-9-20(15(2)11-14)26-25(31)19-13-23(30)24(18-6-4-3-5-17(18)19)28-27-21-12-16(35(32,33)34)8-10-22(21)29/h3-13,29-30H,1-2H3,(H,26,31)(H,32,33,34)",C25H21N3O6S,,,,,,JZQONTDEAKNNEP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.232,253-072-2,36505-84-7,Buspirone,"8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione",O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4,O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4,"InChI=1/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2",C21H31N5O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18896,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.232,QWCRAEMEVRGPNT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.635,257-918-1,52435-15-1,"4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]",CN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(C)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,CN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(C)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,"InChI=1/C38H40N12O8S2/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48)",C38H40N12O8S2,,,,,,WNUUEQSIAHJIGU-BUHFOSPRSA-N,,,,,,,,,,,
100.052.640,257-923-9,52443-21-7,Glucametacin,2-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)-2-deoxy-D-glucose,COc1ccc2c(c1)c(CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)c(C)n2C(=O)c3ccc(Cl)cc3,COc1ccc2c(c1)c(CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)c(C)n2C(=O)c3ccc(Cl)cc3,"InChI=1/C25H27ClN2O8/c1-13-17(10-22(32)27-19(11-29)23(33)24(34)21(31)12-30)18-9-16(36-2)7-8-20(18)28(13)25(35)14-3-5-15(26)6-4-14/h3-9,11,19,21,23-24,30-31,33-34H,10,12H2,1-2H3,(H,27,32)",C25H27ClN2O8,,,,,,XLVXAUNDHWERBM-IVGWJTKZSA-N,,,,,,,,,,,
100.052.645,257-929-1,52454-66-7,2-aminothiazol-5-acetic acid,"(2-amino-1,3-thiazol-5-yl)acetic acid",Nc1ncc(CC(=O)O)s1,Nc1ncc(CC(=O)O)s1,"InChI=1/C5H6N2O2S/c6-5-7-2-3(10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)",C5H6N2O2S,,,,,,APIMXAGCLCGUGB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.650,257-934-9,52463-83-9,Pinazepam,"7-chloro-5-phenyl-1-prop-2-yn-1-yl-1,3-dihydro-2H-1,4-benzodiazepin-2-one",Clc1ccc2N(CC#C)C(=O)CN=C(c3ccccc3)c2c1,Clc1ccc2N(CC#C)C(=O)CN=C(c3ccccc3)c2c1,"InChI=1/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2",C18H13ClN2O,,,,,,MFZOSKPPVCIFMT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.654,257-939-6,52469-76-8,"Trisodium 5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-amino-3-{[4-({4-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C32H24N8O11S3.3Na/c33-18-1-10-24-16(11-18)13-26(53(46,47)48)29(31(24)41)39-37-21-6-2-19(3-7-21)35-36-20-4-8-22(9-5-20)38-40-30-27(54(49,50)51)14-17-12-23(52(43,44)45)15-25(34)28(17)32(30)42;;;/h1-15,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C32H24N8O11S3.3Na,,,,,,YBDCRIBGAOBGMN-UHFFFAOYSA-K,,,,,,,,,,,
100.052.655,257-940-1,52470-07-2,"2'-[(4-chlorophenyl)amino]-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-[(4-chlorophenyl)amino]-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3cc(C)c(Nc4ccc(Cl)cc4)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3cc(C)c(Nc4ccc(Cl)cc4)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C31H27ClN2O3/c1-4-34(5-2)22-14-15-25-29(17-22)36-28-16-19(3)27(33-21-12-10-20(32)11-13-21)18-26(28)31(25)24-9-7-6-8-23(24)30(35)37-31/h6-18,33H,4-5H2,1-3H3",C31H27ClN2O3,,,,,,HAWUKHKOQRPBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.659,257-944-3,52477-97-1,Butyl 5-oxocyclopent-1-ene-1-heptanoate,butyl 7-(5-oxocyclopent-1-en-1-yl)heptanoate,CCCCOC(=O)CCCCCCC1=CCCC1=O,CCCCOC(=O)CCCCCCC1=CCCC1=O,"InChI=1/C16H26O3/c1-2-3-13-19-16(18)12-7-5-4-6-9-14-10-8-11-15(14)17/h10H,2-9,11-13H2,1H3",C16H26O3,,,,,,IQOYCLGKUZQIQH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.661,257-946-4,52479-94-4,"6-cyclopentyl-2,4-xylenol","2-cyclopentyl-4,6-dimethylphenol",Cc1cc(C)c(O)c(c1)C2CCCC2,Cc1cc(C)c(O)c(c1)C2CCCC2,"InChI=1/C13H18O/c1-9-7-10(2)13(14)12(8-9)11-5-3-4-6-11/h7-8,11,14H,3-6H2,1-2H3",C13H18O,,,,,,VRNMLRLXNNNMIN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.315,253-164-2,36707-28-5,Furfuryl phenylacetate,2-furylmethyl phenylacetate,O=C(Cc1ccccc1)OCc2occc2,O=C(Cc1ccccc1)OCc2occc2,"InChI=1/C13H12O3/c14-13(9-11-5-2-1-3-6-11)16-10-12-7-4-8-15-12/h1-8H,9-10H2",C13H12O3,,,,,,RQIJJMRWUPHQGB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.316,253-165-8,36711-69-0,"1,4-dibromo-2,5-bis(dibromomethyl)benzene","1,4-dibromo-2,5-bis(dibromomethyl)benzene",BrC(Br)c1cc(Br)c(cc1Br)C(Br)Br,BrC(Br)c1cc(Br)c(cc1Br)C(Br)Br,"InChI=1/C8H4Br6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,7-8H",C8H4Br6,,,,,,KLEOTAJNEAAHOP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.323,253-173-1,36729-58-5,Decanol,decan-1-ol,CCCCCCCCCCO,CCCCCCCCCCO,"InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",C10H22O,,,,,,MWKFXSUHUHTGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.338,253-189-9,36756-72-6,Di-sec-butylcarbamoyl chloride,di-sec-butylcarbamic chloride,CCC(C)N(C(C)CC)C(=O)Cl,CCC(C)N(C(C)CC)C(=O)Cl,"InChI=1/C9H18ClNO/c1-5-7(3)11(9(10)12)8(4)6-2/h7-8H,5-6H2,1-4H3",C9H18ClNO,,,,,,QVMFDLLOVZUZLH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.677,253-564-7,37599-16-9,2-[[2-[bis(2-hydroxypropyl)amino]ethyl](2-hydroxypropyl)amino]-1-methylethyl oleate,2-[{2-[bis(2-hydroxypropyl)amino]ethyl}(2-hydroxypropyl)amino]-1-methylethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)O,CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)O,"InChI=1/C32H64N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(38)39-31(5)27-34(26-30(4)37)23-22-33(24-28(2)35)25-29(3)36/h13-14,28-31,35-37H,6-12,15-27H2,1-5H3",C32H64N2O5,,,,,,QFKMMTALBTXNHD-YPKPFQOOSA-N,,,,,,,,,,,
100.048.679,253-566-8,37603-23-9,4-anilinopiperidine-4-carboxamide,4-anilinopiperidine-4-carboxamide,NC(=O)C1(CCNCC1)Nc2ccccc2,NC(=O)C1(CCNCC1)Nc2ccccc2,"InChI=1/C12H17N3O/c13-11(16)12(6-8-14-9-7-12)15-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2,(H2,13,16)",C12H17N3O,,,,,,WAIIZELGDHTPRX-UHFFFAOYSA-N,,,,,,,,,,,
100.048.688,253-576-2,37645-36-6,"4-methylpyridine-2,6-dicarboxylic acid","4-methylpyridine-2,6-dicarboxylic acid",Cc1cc(nc(c1)C(=O)O)C(=O)O,Cc1cc(nc(c1)C(=O)O)C(=O)O,"InChI=1/C8H7NO4/c1-4-2-5(7(10)11)9-6(3-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)",C8H7NO4,,,,,,JBEZLFAVOCTFPU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.689,253-577-8,37645-61-7,2-butylthiazole,"2-butyl-1,3-thiazole",CCCCc1nccs1,CCCCc1nccs1,"InChI=1/C7H11NS/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3",C7H11NS,,,,,,QOJMQILDLLFGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.693,253-582-5,37661-32-8,Monopotassium (R)-aminophenylacetate,potassium amino(phenyl)acetate,[K+].N[C@@H](C(=O)[O-])c1ccccc1,[K+].N[C@@H](C(=O)[O-])c1ccccc1,"InChI=1/C8H9NO2.K/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H,10,11);/q;+1/p-1",C8H9NO2.K,,,,,,JGIMWXQBJDCZAR-OGFXRTJISA-M,,,,,,,,,,,
100.050.455,255-520-2,41727-18-8,1-(2-pyridyl)cyclohexan-1-ol,1-pyridin-2-ylcyclohexanol,OC1(CCCCC1)c2ccccn2,OC1(CCCCC1)c2ccccn2,"InChI=1/C11H15NO/c13-11(7-3-1-4-8-11)10-6-2-5-9-12-10/h2,5-6,9,13H,1,3-4,7-8H2",C11H15NO,,,,,,PLANJDCYAMHXKN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.474,255-541-7,41764-74-3,Veratrohydrazide,"3,4-dimethoxybenzohydrazide",COc1ccc(cc1OC)C(=O)NN,COc1ccc(cc1OC)C(=O)NN,"InChI=1/C9H12N2O3/c1-13-7-4-3-6(9(12)11-10)5-8(7)14-2/h3-5H,10H2,1-2H3,(H,11,12)",C9H12N2O3,,,,,,LJMQIGMMUZLDOC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.475,255-542-2,41767-05-9,"[(3,7-dimethyloctyl)oxy]acetaldehyde","[(3,7-dimethyloctyl)oxy]acetaldehyde",CC(C)CCCC(C)CCOCC=O,CC(C)CCCC(C)CCOCC=O,"InChI=1/C12H24O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h8,11-12H,4-7,9-10H2,1-3H3",C12H24O2,,,,,,BGUUSKIYBZUCDC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.476,255-543-8,41767-29-7,"Butyl 6a-fluoro-11ß-hydroxy-16a-methyl-3,20-dioxopregna-1,4-dien-21-oate","butyl 6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-oate",CCCCOC(=O)C(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCOC(=O)C(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C26H35FO5/c1-5-6-9-32-24(31)23(30)21-14(2)10-17-16-12-19(27)18-11-15(28)7-8-25(18,3)22(16)20(29)13-26(17,21)4/h7-8,11,14,16-17,19-22,29H,5-6,9-10,12-13H2,1-4H3",C26H35FO5,,,,,,XWTIDFOGTCVGQB-FHIVUSPVSA-N,,,,,,,,,,,
100.050.477,255-544-3,41768-20-1,(2-methyloxiranyl)methyl methacrylate,(2-methyloxiran-2-yl)methyl methacrylate,CC(=C)C(=O)OCC1(C)CO1,CC(=C)C(=O)OCC1(C)CO1,"InChI=1/C8H12O3/c1-6(2)7(9)10-4-8(3)5-11-8/h1,4-5H2,2-3H3",C8H12O3,,,,,,YSBPNMOAQMQEHE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.479,255-546-4,41771-35-1,1-(2-chloroethoxy)-2-ethoxyethane,1-chloro-2-(2-ethoxyethoxy)ethane,CCOCCOCCCl,CCOCCOCCCl,"InChI=1/C6H13ClO2/c1-2-8-5-6-9-4-3-7/h2-6H2,1H3",C6H13ClO2,,,,,,NDDRUUNXMMRCIV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.481,255-549-0,41775-76-2,"1,4,7-trioxa-10-azacyclododecane","1,4,7-trioxa-10-azacyclododecane",C1COCCOCCOCCN1,C1COCCOCCOCCN1,"InChI=1/C8H17NO3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9H,1-8H2",C8H17NO3,,,,,,QNSRHBOZQLXYNV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.484,255-552-7,41788-51-6,"trans-3-bromodihydro-3,5-dimethylfuran-2(3H)-one","3-bromo-3,5-dimethyldihydrofuran-2(3H)-one",C[C@@H]1C[C@@](C)(Br)C(=O)O1,C[C@@H]1C[C@@](C)(Br)C(=O)O1,"InChI=1/C6H9BrO2/c1-4-3-6(2,7)5(8)9-4/h4H,3H2,1-2H3",C6H9BrO2,,,,,,UIGUFPIRJDSCNF-INEUFUBQSA-N,,,,,,,,,,,
100.050.490,255-559-5,41814-78-2,"5-methyl-1,2,4-triazolo[3,4-b]benzo-1,3-thiazole","5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole",Cc1cccc2sc3nncn3c12,Cc1cccc2sc3nncn3c12,"InChI=1/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3",C9H7N3S,,,,,,DQJCHOQLCLEDLL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.554,258-928-9,54023-77-7,3-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide,3-hydroxy-N-(3-hydroxyphenyl)-2-naphthamide,Oc1cccc(NC(=O)c2cc3ccccc3cc2O)c1,Oc1cccc(NC(=O)c2cc3ccccc3cc2O)c1,"InChI=1/C17H13NO3/c19-14-7-3-6-13(10-14)18-17(21)15-8-11-4-1-2-5-12(11)9-16(15)20/h1-10,19-20H,(H,18,21)",C17H13NO3,,,,,,ZLPDIQADHBAPKL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.563,258-938-3,54054-83-0,"6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, calcium salt",-,[Ca+2].CC1=CC(=O)NS(=O)(=O)O1,[Ca+2].CC1=CC(=O)NS(=O)(=O)O1,"InChI=1/C4H5NO4S.Ca/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+2",C4H5NO4S.1/2Ca,,,,,,XFEBOKNGABHSCA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.350,256-503-2,49859-70-3,"2-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulphonyl]amino]ethyl acrylate","2-{methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H14F13NO4S/c1-3-8(29)32-6-5-28(2)33(30,31)7-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3H,1,4-7H2,2H3",C14H14F13NO4S,,,,,,HATNGDPVYXXGKR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.356,256-510-0,50264-69-2,Lonidamine,"1-(2,4-dichlorobenzyl)-1H-indazole-3-carboxylic acid",OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13,OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13,"InChI=1/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)",C15H10Cl2N2O2,,,,,,WDRYRZXSPDWGEB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.357,256-511-6,50268-65-0,(6R)-3-(acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(acetoxymethyl)-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,COC1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)C,COC1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)C,"InChI=1/C17H18N2O7S2/c1-9(20)26-7-10-8-28-16-17(25-2,15(24)19(16)13(10)14(22)23)18-12(21)6-11-4-3-5-27-11/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)",C17H18N2O7S2,,,,,,QLTVFUALEDMAKL-TZHYSIJRSA-N,,,,,,,,,,,
100.051.369,256-524-7,50292-95-0,"3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)phthalide","3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one",CCCCCCCCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)c5c(C)n(CCCCCCCC)c6ccccc56,CCCCCCCCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)c5c(C)n(CCCCCCCC)c6ccccc56,"InChI=1/C42H52N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28H,5-14,21-22,29-30H2,1-4H3",C42H52N2O2,,,,,,XOEUNIAGBKGZLU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.662,257-948-5,52480-74-7,"3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one","3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one",NC1=C2CCCCC2N(C1=O)c3ccc4OCOc4c3,NC1=C2CCCCC2N(C1=O)c3ccc4OCOc4c3,"InChI=1/C15H16N2O3/c16-14-10-3-1-2-4-11(10)17(15(14)18)9-5-6-12-13(7-9)20-8-19-12/h5-7,11H,1-4,8,16H2",C15H16N2O3,,,,,,DFSVLWDYYFZROH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.669,257-955-3,52488-28-5,3-bromo-5-nitrotoluene,1-bromo-3-methyl-5-nitrobenzene,Cc1cc(Br)cc(c1)[N+](=O)[O-],Cc1cc(Br)cc(c1)[N+](=O)[O-],"InChI=1/C7H6BrNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3",C7H6BrNO2,,,,,,MWFDNXJPZUOTJB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.670,257-956-9,52488-90-1,"Silicic acid, aluminum zinc salt",-,[Al+3].[Zn+2].[O-][Si](=O)[O-],[Al+3].[Zn+2].[O-][Si](=O)[O-],InChI=1/Al.O3Si.Zn/c;1-4(2)3;/q+3;-2;+2,-,,,,,,PPGWGPHROLTIHV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.677,257-964-2,52497-24-2,2-[(2-hydroxyethyl)octadecylamino]ethyl stearate,2-[(2-hydroxyethyl)(octadecyl)amino]ethyl stearate,CCCCCCCCCCCCCCCCCCN(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCN(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H81NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(36-38-42)37-39-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-39H2,1-2H3",C40H81NO3,,,,,,KHYNLKWLPONHOE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.679,257-966-3,52499-14-6,p-dodecylbenzenesulphonyl chloride,4-dodecylbenzenesulfonyl chloride,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Cl,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C18H29ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3",C18H29ClO2S,,,,,,VLBSKIZWQATQRK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.681,257-968-4,52499-94-2,Pentamethylbenzenesulphonyl chloride,pentamethylbenzenesulfonyl chloride,Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)Cl,Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)Cl,"InChI=1/C11H15ClO2S/c1-6-7(2)9(4)11(15(12,13)14)10(5)8(6)3/h1-5H3",C11H15ClO2S,,,,,,VDBXRBKVRRJRRW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.684,257-972-6,52503-06-7,Ammonium antimony fluoride,-,[NH4+].[F-].[SbH3+3],[NH4+].[F-].[SbH3+3],InChI=1/FH.H3N.Sb.3H/h1H;1H3;;;;/q;;+3;;;/rFH.H3N.H3Sb/h1H;2*1H3/q;;+3,-,,,,,,RSHGBFZTDXQSIG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.688,257-976-8,52508-35-7,"Sodium 2,3:4,6-di-O-isopropylidene-a-L-xylo-2-hexulofuranosonate","sodium 2,2,5,5-tetramethyltetrahydro-8aH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxine-8a-carboxylate (non-preferred name)",[Na+].CC1(C)OC[C@@H]2O[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)[O-],[Na+].CC1(C)OC[C@@H]2O[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)[O-],"InChI=1/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1",C12H18O7.Na,,,,,,DEWVPZYHFVYXMZ-QCILGFJPSA-M,,,,,,,,,,,
100.052.689,257-977-3,52509-14-5,"(1,3-dioxolan-2-ylmethyl)triphenylphosphonium bromide","(1,3-dioxolan-2-ylmethyl)(triphenyl)phosphonium bromide",[Br-].C(C1OCCO1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].C(C1OCCO1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1",C22H22O2P.Br,,,,,,FRHRVQQUICVJDG-UHFFFAOYSA-M,,,,,,,,,,,
100.052.698,257-987-8,52514-67-7,"2-ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol","2-ethoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol",CCOc1cc(ccc1O)C2OC(C)CC(C)(C)O2,CCOc1cc(ccc1O)C2OC(C)CC(C)(C)O2,"InChI=1/C15H22O4/c1-5-17-13-8-11(6-7-12(13)16)14-18-10(2)9-15(3,4)19-14/h6-8,10,14,16H,5,9H2,1-4H3",C15H22O4,,,,,,RTAZBUSLAYSJCD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.240,253-081-1,36518-02-2,Diproqualone,"3-(2,3-dihydroxypropyl)-2-methylquinazolin-4(3H)-one",CC1=Nc2ccccc2C(=O)N1CC(O)CO,CC1=Nc2ccccc2C(=O)N1CC(O)CO,"InChI=1/C12H14N2O3/c1-8-13-11-5-3-2-4-10(11)12(17)14(8)6-9(16)7-15/h2-5,9,15-16H,6-7H2,1H3",C12H14N2O3,,,,,,NTGLQWGMESPVBV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.244,253-085-3,36525-64-1,(perfluoroethylene)bis[(perfluoromethyl)aminyl] dioxide,"1,1,2,2-tetrafluoro-N,N'-dihydroxy-N,N'-bis(trifluoromethyl)ethane-1,2-diamine",ON(C(F)(F)F)C(F)(F)C(F)(F)N(O)C(F)(F)F,ON(C(F)(F)F)C(F)(F)C(F)(F)N(O)C(F)(F)F,"InChI=1/C4H2F10N2O2/c5-1(6,15(17)3(9,10)11)2(7,8)16(18)4(12,13)14/h17-18H",C4F10N2O2,,,,,,NONRDSNPLHJJPO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.245,253-086-9,36525-74-3,Disodium 6-amino-5-[[5-(benzoylamino)-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-{[5-(benzoylamino)-2-sulfonatophenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(NC(=O)c1ccccc1)cc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(NC(=O)c1ccccc1)cc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,"InChI=1/C23H18N4O8S2.2Na/c24-17-8-6-14-10-16(36(30,31)32)12-19(28)21(14)22(17)27-26-18-11-15(7-9-20(18)37(33,34)35)25-23(29)13-4-2-1-3-5-13;;/h1-12,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H18N4O8S2.2Na,,,,,,HFXCNIZZMBMKFE-UHFFFAOYSA-L,,,,,,,,,,,
100.048.247,253-089-5,36528-45-7,"Diallyl cyclohexane-1,4-diylbis(methylenecarbonate)","diallyl cyclohexane-1,4-diylbis(methylene) biscarbonate",C=CCOC(=O)OCC1CCC(COC(=O)OCC=C)CC1,C=CCOC(=O)OCC1CCC(COC(=O)OCC=C)CC1,"InChI=1/C16H24O6/c1-3-9-19-15(17)21-11-13-5-7-14(8-6-13)12-22-16(18)20-10-4-2/h3-4,13-14H,1-2,5-12H2",C16H24O6,,,,,,FBMMWSZSVHIASG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.751,254-745-3,40004-08-8,Ethyl piperazine-1-acetate,ethyl piperazin-1-ylacetate,CCOC(=O)CN1CCNCC1,CCOC(=O)CN1CCNCC1,"InChI=1/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3",C8H16N2O2,,,,,,MTFCXMJOGMHYAE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.757,254-752-1,40020-01-7,6-chloro-3-phenylpyridazin-4-ol,6-chloro-3-phenylpyridazin-4-ol,Oc1cc(Cl)nnc1c2ccccc2,Oc1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)",C10H7ClN2O,,,,,,ZUSHSDOEVHPTCU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.464,254-430-0,39366-43-3,Aluminum magnesium hydroxide,-,[OH-].[Mg+2].[Al+3],[OH-].[Mg+2].[Al+3],InChI=1/Al.Mg.H2O/h;;1H2/q+3;+2;/p-1,-,,,,,,QWBIZPAPBMSXDG-UHFFFAOYSA-M,,,,,,,,,,,
100.049.466,254-432-1,39373-89-2,"1-Decanol, 2-hexyl-, phosphate, potassium salt",-,[K+].CCCCCCCCC(CCCCCC)COP(=O)([O-])[O-],[K+].CCCCCCCCC(CCCCCC)COP(=O)([O-])[O-],"InChI=1/C16H35O4P.K/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-20-21(17,18)19;/h16H,3-15H2,1-2H3,(H2,17,18,19);/q;+1/p-2",-,,,,,,PUVLZCCRRBYBKL-UHFFFAOYSA-L,,,,,,,,,,,
100.049.482,254-449-4,39437-99-5,Dichlorotetramethyldisilane,"1,1-dichloro-1,2,2,2-tetramethyldisilane",C[Si](C)(C)[Si](C)(Cl)Cl,C[Si](C)(C)[Si](C)(Cl)Cl,"InChI=1/C4H12Cl2Si2/c1-7(2,3)8(4,5)6/h1-4H3",C4H12Cl2Si2,,,,,,JZALIDSFNICAQX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.483,254-451-5,39438-11-4,Anhydroglucitol decanoate,"1,5-anhydro-2-O-decanoylhexitol",CCCCCCCCCC(=O)OC1COC(CO)C(O)C1O,CCCCCCCCCC(=O)OC1COC(CO)C(O)C1O,"InChI=1/C16H30O6/c1-2-3-4-5-6-7-8-9-14(18)22-13-11-21-12(10-17)15(19)16(13)20/h12-13,15-17,19-20H,2-11H2,1H3",C16H30O6,,,,,,FLANHZFMAUBCRU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.778,284-486-1,84912-23-2,"9-(2-carboxylatophenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl]amino]xanthylium",2-[3-({2-ethyl-6-methyl-4-[(4-methyl-1H-imidazol-5-yl)methyl]phenyl}amino)-6-({2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl}amino)xanthenium-9-yl]benzoate,CCc1cc(Cc2nc[nH]c2C)cc(C)c1Nc3ccc4c(c5ccccc5C(=O)[O-])c6ccc(Nc7c(C)cc(Cc8[nH]cnc8C)cc7CC)cc6[o+]c4c3,CCc1cc(Cc2nc[nH]c2C)cc(C)c1Nc3ccc4c(c5ccccc5C(=O)[O-])c6ccc(Nc7c(C)cc(Cc8[nH]cnc8C)cc7CC)cc6[o+]c4c3,"InChI=1/C48H46N6O3/c1-7-33-19-31(21-41-29(5)49-25-51-41)17-27(3)46(33)53-35-13-15-39-43(23-35)57-44-24-36(14-16-40(44)45(39)37-11-9-10-12-38(37)48(55)56)54-47-28(4)18-32(20-34(47)8-2)22-42-30(6)50-26-52-42/h9-20,23-26,53-54H,7-8,21-22H2,1-6H3,(H2-,49,50,51,52,55,56)",C48H46N6O3,,,,,,JERNEVOCUSLKTO-UHFFFAOYSA-M,,,,,,,,,,,
100.076.779,284-487-7,84912-24-3,"1,2-dihydro-1,3-dimethyl-4-[(methylphenylhydrazono)methyl]-2-oxopyrimidinium chloride","1,3-dimethyl-4-[methyl(phenyl)carbonohydrazonoyl]-2-oxo-1,2,3,4-tetrahydropyrimidin-1-ium chloride",[Cl-].C[NH+]2\\C=C/C(C=NN(C)c1ccccc1)N(C)C2=O,[Cl-].C[NH+]2\C=C/C(C=NN(C)c1ccccc1)N(C)C2=O,"InChI=1/C14H18N4O.ClH/c1-16-10-9-13(17(2)14(16)19)11-15-18(3)12-7-5-4-6-8-12;/h4-11,13H,1-3H3;1H",C14H17N4O.Cl,,,,,,VTNDVRYGYRYJKM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.792,284-501-1,84924-87-8,Magnesium bis(hydroxydimethylbenzenesulphonate),"magnesium bis(2-hydroxy-3,4-dimethylbenzenesulfonate)",[Mg+2].Cc1ccc(c(O)c1C)S(=O)(=O)[O-].Cc2ccc(c(O)c2C)S(=O)(=O)[O-],[Mg+2].Cc1ccc(c(O)c1C)S(=O)(=O)[O-].Cc2ccc(c(O)c2C)S(=O)(=O)[O-],"InChI=1/2C8H10O4S.Mg/c2*1-5-3-4-7(13(10,11)12)8(9)6(5)2;/h2*3-4,9H,1-2H3,(H,10,11,12);/q;;+2/p-2",C8H10O4S.1/2Mg,,,,,,YRWYZWUHTIVGPD-UHFFFAOYSA-L,,,,,,,,,,,
100.048.339,253-190-4,36756-79-3,S-benzyl di-sec-butylthiocarbamate,S-benzyl di-sec-butylthiocarbamate,CCC(C)N(C(C)CC)C(=O)SCc1ccccc1,CCC(C)N(C(C)CC)C(=O)SCc1ccccc1,"InChI=1/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3",C16H25NOS,,,,,,PHSUVQBHRAWOQD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.981,252-795-0,35926-06-8,1-vinylpentyl acetate,1-vinylpentyl acetate,CCCCC(OC(=O)C)C=C,CCCCC(OC(=O)C)C=C,"InChI=1/C9H16O2/c1-4-6-7-9(5-2)11-8(3)10/h5,9H,2,4,6-7H2,1,3H3",C9H16O2,,,,,,SIOVHXRHPCJGFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.985,252-799-2,35931-29-4,5-isopropyl-o-tolyl nicotinate,5-isopropyl-2-methylphenyl nicotinate,CC(C)c1ccc(C)c(OC(=O)c2cccnc2)c1,CC(C)c1ccc(C)c(OC(=O)c2cccnc2)c1,"InChI=1/C16H17NO2/c1-11(2)13-7-6-12(3)15(9-13)19-16(18)14-5-4-8-17-10-14/h4-11H,1-3H3",C16H17NO2,,,,,,SZCZJXCLBISPEH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.986,252-800-6,35933-93-8,"6'-(cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(cyclohexylamino)-2'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Cc1ccc2Oc3cc(NC4CCCCC4)ccc3C5(OC(=O)c6ccccc56)c2c1,Cc1ccc2Oc3cc(NC4CCCCC4)ccc3C5(OC(=O)c6ccccc56)c2c1,"InChI=1/C27H25NO3/c1-17-11-14-24-23(15-17)27(21-10-6-5-9-20(21)26(29)31-27)22-13-12-19(16-25(22)30-24)28-18-7-3-2-4-8-18/h5-6,9-16,18,28H,2-4,7-8H2,1H3",C27H25NO3,,,,,,OJMMRJXMDLNRFW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.987,252-801-1,35940-77-3,"1-amino-4-[(5-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]anthraquinone","1-amino-4-[(5-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-9,10-anthraquinone",Nc1cccc2C(=O)c3c(Nc4ccc(N)c5C(=O)c6ccccc6C(=O)c45)cccc3C(=O)c12,Nc1cccc2C(=O)c3c(Nc4ccc(N)c5C(=O)c6ccccc6C(=O)c45)cccc3C(=O)c12,"InChI=1/C28H17N3O4/c29-17-9-3-7-15-21(17)27(34)16-8-4-10-19(22(16)28(15)35)31-20-12-11-18(30)23-24(20)26(33)14-6-2-1-5-13(14)25(23)32/h1-12,31H,29-30H2",C28H17N3O4,,,,,,BHEDXNLFJIFQFR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.992,252-806-9,35945-16-5,"N,N-diethyl-2,5-diethoxyaniline","2,5-diethoxy-N,N-diethylaniline",CCOc1ccc(OCC)c(c1)N(CC)CC,CCOc1ccc(OCC)c(c1)N(CC)CC,"InChI=1/C14H23NO2/c1-5-15(6-2)13-11-12(16-7-3)9-10-14(13)17-8-4/h9-11H,5-8H2,1-4H3",C14H23NO2,,,,,,XXJMDOIBGIZHNR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.998,252-813-7,35948-25-5,"6H-dibenz[c,e][1,2]oxaphosphorin 6-oxide","6H-dibenzo[c,e][1,2]oxaphosphinine 6-oxide",O=P1Oc2ccccc2c3ccccc13,O=P1Oc2ccccc2c3ccccc13,"InChI=1/C12H9O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8,15H",C12H9O2P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5483,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.998,VBQRUYIOTHNGOP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.502,254-471-4,39489-75-3,"Bis(2,4-dichloro-5-nitrophenyl) carbonate","bis(2,4-dichloro-5-nitrophenyl) carbonate",[O-][N+](=O)c1cc(OC(=O)Oc2cc(c(Cl)cc2Cl)[N+](=O)[O-])c(Cl)cc1Cl,[O-][N+](=O)c1cc(OC(=O)Oc2cc(c(Cl)cc2Cl)[N+](=O)[O-])c(Cl)cc1Cl,InChI=1/C13H4Cl4N2O7/c14-5-1-7(16)11(3-9(5)18(21)22)25-13(20)26-12-4-10(19(23)24)6(15)2-8(12)17/h1-4H,C13H4Cl4N2O7,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10182,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.502,CVUDBPILLYLOSC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.518,254-489-2,39520-22-4,Dimethyl butylmalonate,dimethyl butylmalonate,CCCCC(C(=O)OC)C(=O)OC,CCCCC(C(=O)OC)C(=O)OC,"InChI=1/C9H16O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h7H,4-6H2,1-3H3",C9H16O4,,,,,,UVCBPUQNMGFVAA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.520,254-491-3,39521-32-9,Bromohexyltriphenylphosphorane,bromo(hexyl)triphenylphosphorane,CCCCCCP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,CCCCCCP(Br)(c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C24H28BrP/c1-2-3-4-14-21-26(25,22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3",C24H28BrP,,,,,,GRUNMMBFHPBIDT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.328,256-479-3,49763-69-1,p-hexylbenzaldehyde,4-hexylbenzaldehyde,CCCCCCc1ccc(C=O)cc1,CCCCCCc1ccc(C=O)cc1,"InChI=1/C13H18O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-11H,2-6H2,1H3",C13H18O,,,,,,KRNAJRBXIMJEFF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.335,256-487-7,49781-38-6,2-ethyl-5-(methoxymethyl)pyrimidin-4-amine,2-ethyl-5-(methoxymethyl)pyrimidin-4-amine,CCc1ncc(COC)c(N)n1,CCc1ncc(COC)c(N)n1,"InChI=1/C8H13N3O/c1-3-7-10-4-6(5-12-2)8(9)11-7/h4H,3,5H2,1-2H3,(H2,9,10,11)",C8H13N3O,,,,,,GGTLWUZUPFXLAI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.338,256-490-3,49785-74-2,Supidimide,"2-(2-oxopiperidin-3-yl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide",O=C1NCCCC1N2C(=O)c3ccccc3S2(=O)=O,O=C1NCCCC1N2C(=O)c3ccccc3S2(=O)=O,"InChI=1/C12H12N2O4S/c15-11-9(5-3-7-13-11)14-12(16)8-4-1-2-6-10(8)19(14,17)18/h1-2,4,6,9H,3,5,7H2,(H,13,15)",C12H12N2O4S,,,,,,QQWLXNMPPFCVCD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.339,256-491-9,49791-86-8,2-isopropyl-1-methyl-5-nitro-1H-imidazolium chloride,2-isopropyl-3-methyl-4-nitro-1H-imidazol-3-ium chloride,[Cl-].CC(C)c1[nH]cc([N+](=O)[O-])[n+]1C,[Cl-].CC(C)c1[nH]cc([N+](=O)[O-])[n+]1C,"InChI=1/C7H11N3O2.ClH/c1-5(2)7-8-4-6(9(7)3)10(11)12;/h4-5H,1-3H3;1H",C7H11N3O2.ClH,,,,,,HOMIFIGVCCVRIG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.340,256-492-4,49791-98-2,"2,4,4'-tris(2,3-epoxypropoxy)biphenyl","2,2',2''-[biphenyl-2,4,4'-triyltris(oxymethylene)]trioxirane",C(Oc1ccc(cc1)c2ccc(OCC3CO3)cc2OCC4CO4)C5CO5,C(Oc1ccc(cc1)c2ccc(OCC3CO3)cc2OCC4CO4)C5CO5,"InChI=1/C21H22O6/c1-3-15(22-8-17-10-24-17)4-2-14(1)20-6-5-16(23-9-18-11-25-18)7-21(20)27-13-19-12-26-19/h1-7,17-19H,8-13H2",C21H22O6,,,,,,HZRWLEPSEHEGBC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.571,258-947-2,54060-93-4,"5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium chloride","5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium chloride",[Cl-].COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\\C=C\\c3c(c4ccccc4)n(C)c5ccccc35,[Cl-].COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35,"InChI=1/C29H29N2O.ClH/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;/h6-19H,1-5H3;1H/q+1;/p-1",C29H29N2O.Cl,,,,,,PUDGFCMSLMGXHW-UHFFFAOYSA-M,,,,,,,,,,,
100.053.580,258-957-7,54063-56-8,Suloctidil,1-[4-(isopropylsulfanyl)phenyl]-2-(octylamino)propan-1-ol,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,"InChI=1/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3",C20H35NOS,,,,,,BFCDFTHTSVTWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.589,258-967-1,54083-02-2,(6R-cis)-3-(acetoxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(acetoxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CO[C@@]1(N)[C@@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C,CO[C@@]1(N)[C@@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C,"InChI=1/C11H14N2O6S/c1-5(14)19-3-6-4-20-10-11(12,18-2)9(17)13(10)7(6)8(15)16/h10H,3-4,12H2,1-2H3,(H,15,16)",C11H14N2O6S,,,,,,RFTYZLNBEGIZRP-WDEREUQCSA-N,,,,,,,,,,,
100.053.591,258-969-2,54089-83-7,3-methyl-5-phenylpentanenitrile,3-methyl-5-phenylpentanenitrile,CC(CCc1ccccc1)CC#N,CC(CCc1ccccc1)CC#N,"InChI=1/C12H15N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3",C12H15N,,,,,,UIHGITHJVWASPE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.596,258-975-5,54095-53-3,"Cyclopent-1-ene-1,2-dicarbonitrile","cyclopent-1-ene-1,2-dicarbonitrile",N#CC1=C(CCC1)C#N,N#CC1=C(CCC1)C#N,InChI=1/C7H6N2/c8-4-6-2-1-3-7(6)5-9/h1-3H2,C7H6N2,,,,,,HEXQKPDCBSWTHM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.712,256-902-1,50995-95-4,2-propyl-1H-imidazole,2-propyl-1H-imidazole,CCCc1ncc[nH]1,CCCc1ncc[nH]1,"InChI=1/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)",C6H10N2,,,,,,MKBBSFGKFMQPPC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.716,256-906-3,51002-10-9,"Octahydro-4,7-methano-1H-indenol","octahydro-1H-4,7-methanoinden-1-ol",OC1CCC2C3CCC(C3)C12,OC1CCC2C3CCC(C3)C12,"InChI=1/C10H16O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-11H,1-5H2",C10H16O,,,,,,QIBGUXADVFUERT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.718,256-908-4,51012-33-0,N-[2-(diethylamino)ethyl]-2-methoxy-5-(methylsulphonyl)benzamide monohydrochloride,N-[2-(diethylamino)ethyl]-2-methoxy-5-(methylsulfonyl)benzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C,Cl.CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C,"InChI=1/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H",C15H24N2O4S.ClH,,,,,,OTFDPNXIVHBTKW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.720,256-911-0,51014-46-1,trans-(±)-3-[(carbamoyloxy)methyl]-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(carbamoyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,NC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc3cccs3)C2=O)C(=O)O,NC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc3cccs3)C2=O)C(=O)O,"InChI=1/C15H15N3O6S2/c16-15(23)24-5-7-6-26-13-10(12(20)18(13)11(7)14(21)22)17-9(19)4-8-2-1-3-25-8/h1-3,10,13H,4-6H2,(H2,16,23)(H,17,19)(H,21,22)",C15H15N3O6S2,,,,,,YZKJQBUBQFJLMF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.721,256-912-6,51015-28-2,"3,4-dihydro-8-methylnaphthalen-1(2H)-one","8-methyl-3,4-dihydronaphthalen-1(2H)-one",Cc1cccc2CCCC(=O)c12,Cc1cccc2CCCC(=O)c12,"InChI=1/C11H12O/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2,4-5H,3,6-7H2,1H3",C11H12O,,,,,,ACEWUDFEONXYQH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.722,256-913-1,51015-29-3,"3,4-dihydro-6-methylnaphthalen-1(2H)-one","6-methyl-3,4-dihydronaphthalen-1(2H)-one",Cc1ccc2C(=O)CCCc2c1,Cc1ccc2C(=O)CCCc2c1,"InChI=1/C11H12O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7H,2-4H2,1H3",C11H12O,,,,,,FPOGGJAFMWYNLI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.723,256-914-7,51016-63-8,"3,3'-[(2,5-dichloro-1,4-phenylene)diimino]bis[1H-isoindol-1-one]","3,3'-[(2,5-dichloro-1,4-phenylene)diimino]bis(1H-isoindol-1-one)",Clc1cc(NC2=NC(=O)c3ccccc23)c(Cl)cc1NC4=NC(=O)c5ccccc45,Clc1cc(NC2=NC(=O)c3ccccc23)c(Cl)cc1NC4=NC(=O)c5ccccc45,"InChI=1/C22H12Cl2N4O2/c23-15-10-18(26-20-12-6-2-4-8-14(12)22(30)28-20)16(24)9-17(15)25-19-11-5-1-3-7-13(11)21(29)27-19/h1-10H,(H,25,27,29)(H,26,28,30)",C22H12Cl2N4O2,,,,,,ABRHAPVKULGVAO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.734,256-926-2,51033-46-6,"2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-6-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-dimethoxy-9H-benzo[a]xanthen-9-one","2,10-dihydroxy-6-(4-hydroxy-3-methoxybenzyl)-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-9H-benzo[a]xanthen-9-one",COc1cc(Cc2c3OC4=CC(=O)C(=CC4=Cc3c5c(OC)c(O)c(OC)cc5c2c6ccc(O)cc6OC)O)ccc1O,COc1cc(Cc2c3OC4=CC(=O)C(=CC4=Cc3c5c(OC)c(O)c(OC)cc5c2c6ccc(O)cc6OC)O)ccc1O,"InChI=1/C34H28O10/c1-40-27-13-18(35)6-7-19(27)30-20-14-29(42-3)32(39)34(43-4)31(20)22-11-17-12-24(37)25(38)15-26(17)44-33(22)21(30)9-16-5-8-23(36)28(10-16)41-2/h5-8,10-15,35-37,39H,9H2,1-4H3",C34H28O10,,,,,,LCNSWZDZNPDLFP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.700,257-989-9,52517-67-6,Undecanal-dimethyl acetal,"1,1-dimethoxyundecane",CCCCCCCCCCC(OC)OC,CCCCCCCCCCC(OC)OC,"InChI=1/C13H28O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h13H,4-12H2,1-3H3",C13H28O2,,,,,,FBJUQTUWWCVIDH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.705,257-995-1,52536-09-1,Sodium pyridin-3-olate,sodium pyridin-3-olate,[Na+].[O-]c1cccnc1,[Na+].[O-]c1cccnc1,"InChI=1/C5H5NO.Na/c7-5-2-1-3-6-4-5;/h1-4,7H;/q;+1/p-1",C5H5NO.Na,,,,,,WHYQZPOBOBSAIS-UHFFFAOYSA-M,,,,,,,,,,,
100.048.353,253-205-4,36781-75-6,Oleyl (R)-12-hydroxyoleate,octadec-9-en-1-yl 12-hydroxyoctadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C36H68O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-39-36(38)33-29-25-22-19-18-21-24-28-32-35(37)31-27-8-6-4-2/h13-14,24,28,35,37H,3-12,15-23,25-27,29-34H2,1-2H3",C36H68O3,,,,,,VUEAHKMMTNDIEH-FHSFBDLLSA-N,,,,,,,,,,,
100.048.354,253-207-5,36781-76-7,(R)-12-hydroxyoleyl (R)-12-hydroxyoleate,12-hydroxyoctadec-9-en-1-yl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCC[C@@H](O)C\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C36H68O4/c1-3-5-7-22-28-34(37)30-24-18-14-10-9-13-17-21-27-33-40-36(39)32-26-20-16-12-11-15-19-25-31-35(38)29-23-8-6-4-2/h18-19,24-25,34-35,37-38H,3-17,20-23,26-33H2,1-2H3",C36H68O4,,,,,,OGLXDMGSSDJNEC-TXJXGNCTSA-N,,,,,,,,,,,
100.048.362,253-215-9,36790-31-5,"Benzyl[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]dimethylammonium methyl sulphate","N-benzyl-2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N-dimethylethanaminium methyl sulfate",[O-]S(=O)(=O)OC.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4,[O-]S(=O)(=O)OC.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4,"InChI=1/C28H33N6S.CH4O4S/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-5-6(2,3)4/h6-17,20H,5,18-19,21H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C28H33N6S.CH3O4S,,,,,,RIYYESAGBCPJQN-UHFFFAOYSA-M,,,,,,,,,,,
100.048.363,253-216-4,36796-46-0,N-(1-methyl-4-piperidylidene)aniline,N-(1-methylpiperidin-4-ylidene)aniline,CN1CCC(=Nc2ccccc2)CC1,CN1CCC(=Nc2ccccc2)CC1,"InChI=1/C12H16N2/c1-14-9-7-12(8-10-14)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3",C12H16N2,,,,,,KLBWPFBQXLDVGG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.366,253-220-6,36798-98-8,2-chloro-10H-phenothiazine-10-carbonyl chloride,2-chloro-10H-phenothiazine-10-carbonyl chloride,ClC(=O)N1c2ccccc2Sc3ccc(Cl)cc13,ClC(=O)N1c2ccccc2Sc3ccc(Cl)cc13,InChI=1/C13H7Cl2NOS/c14-8-5-6-12-10(7-8)16(13(15)17)9-3-1-2-4-11(9)18-12/h1-7H,C13H7Cl2NOS,,,,,,WIUVDRZGTJXTCE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.367,253-221-1,36799-28-7,"(1,3-dimethylbutylidene)bis[tert-butyl] peroxide","1,4-bis(tert-butylperoxy)-2-methylpentane",CC(COOC(C)(C)C)CC(C)OOC(C)(C)C,CC(COOC(C)(C)C)CC(C)OOC(C)(C)C,"InChI=1/C14H30O4/c1-11(10-15-17-13(3,4)5)9-12(2)16-18-14(6,7)8/h11-12H,9-10H2,1-8H3",C14H30O4,,,,,,QKEMKESGMSHRMA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.369,253-223-2,36806-46-9,"(±)-2,6-dimethylhept-6-en-1-ol","2,6-dimethylhept-5-en-1-ol",CC(CO)CCC=C(C)C,CC(CO)CCC=C(C)C,"InChI=1/C9H18O/c1-8(2)5-4-6-9(3)7-10/h5,9-10H,4,6-7H2,1-3H3",C9H18O,,,,,,WFZFXUZFKAOTRR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.370,253-224-8,36809-53-7,Non-3-enyl acetate,non-3-en-1-yl acetate,CC(=O)OCCC=CCCCCC,CC(=O)OCCC=CCCCCC,"InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h7-8H,3-6,9-10H2,1-2H3",C11H20O2,,,,,,LRQNQAVSERJKNU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.372,253-226-9,36812-13-2,tert-butylxylenol,"4-tert-butyl-2,3-dimethylphenol",Cc1c(C)c(ccc1O)C(C)(C)C,Cc1c(C)c(ccc1O)C(C)(C)C,"InChI=1/C12H18O/c1-8-9(2)11(13)7-6-10(8)12(3,4)5/h6-7,13H,1-5H3",C12H18O,,,,,,OXPSEZLCVXHNQE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.374,253-229-5,36823-82-2,4-isopropoxybenzoyl chloride,4-isopropoxybenzoyl chloride,CC(C)Oc1ccc(cc1)C(=O)Cl,CC(C)Oc1ccc(cc1)C(=O)Cl,"InChI=1/C10H11ClO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3",C10H11ClO2,,,,,,USRKDQLKRQMYKX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.881,254-888-1,40358-51-8,1-(1-cyclohexen-1-yl)naphthalene,1-cyclohex-1-en-1-ylnaphthalene,C1CCC(=CC1)c2cccc3ccccc23,C1CCC(=CC1)c2cccc3ccccc23,"InChI=1/C16H16/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h4-7,9-12H,1-3,8H2",C16H16,,,,,,JDPSNAPGULGULM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.885,254-892-3,40371-50-4,(S)-2-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butyric acid,4-{[(benzyloxy)carbonyl]amino}-2-hydroxybutanoic acid,O[C@@H](CCNC(=O)OCc1ccccc1)C(=O)O,O[C@@H](CCNC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C12H15NO5/c14-10(11(15)16)6-7-13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)",C12H15NO5,,,,,,ULKOBRDRCYROKY-JTQLQIEISA-N,,,,,,,,,,,
100.049.893,254-901-0,40390-11-2,Ethyl (±)-2-(4-chloro-2-methylphenoxy)propionate,ethyl 2-(4-chloro-2-methylphenoxy)propanoate,CCOC(=O)C(C)Oc1ccc(Cl)cc1C,CCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C12H15ClO3/c1-4-15-12(14)9(3)16-11-6-5-10(13)7-8(11)2/h5-7,9H,4H2,1-3H3",C12H15ClO3,,,,,,QOOFWHJIVSELIO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.673,278-862-4,78182-42-0,"Methyl (Z,Z,Z)-8-[(4-methoxy-1,4-dioxobut-2-enyl)oxy]-8-octyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate","methyl 8-[(4-methoxy-4-oxobut-2-enoyl)oxy]-8-octyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OC)(OC(=O)C=CC(=O)OC)CCCCCCCC)\\C=C/C(=O)OC,O=C(O[Sn](OC(=O)\C=C/C(=O)OC)(OC(=O)C=CC(=O)OC)CCCCCCCC)\C=C/C(=O)OC,"InChI=1/C8H17.3C5H6O4.Sn/c1-3-5-7-8-6-4-2;3*1-9-5(8)3-2-4(6)7;/h1,3-8H2,2H3;3*2-3H,1H3,(H,6,7);/q;;;;+3/p-3/rC23H32O12Sn/c1-5-6-7-8-9-10-17-36(33-21(27)14-11-18(24)30-2,34-22(28)15-12-19(25)31-3)35-23(29)16-13-20(26)32-4/h11-16H,5-10,17H2,1-4H3",C23H32O12Sn,,,,,,VDPFVSYDUINPAQ-WYLUVXEQSA-K,,,,,,,,,,,
100.071.675,278-865-0,78186-33-1,Fumoxicillin,"6-({[(2-furylmethylene)amino](4-hydroxyphenyl)acetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",O=C(O)[C@@H]3N4C(=O)[C@@H](NC(=O)[C@H](N=Cc1ccco1)c2ccc(O)cc2)[C@H]4SC3(C)C,O=C(O)[C@@H]3N4C(=O)[C@@H](NC(=O)[C@H](N=Cc1ccco1)c2ccc(O)cc2)[C@H]4SC3(C)C,"InChI=1/C21H21N3O6S/c1-21(2)16(20(28)29)24-18(27)15(19(24)31-21)23-17(26)14(11-5-7-12(25)8-6-11)22-10-13-4-3-9-30-13/h3-10,14-16,19,25H,1-2H3,(H,23,26)(H,28,29)",C21H21N3O6S,,,,,,BWENFVHXWNVVGN-OAFZBRQQSA-N,,,,,,,,,,,
100.071.677,278-867-1,78194-84-0,Dodecyl hydrogen adipate,6-(dodecyloxy)-6-oxohexanoic acid,CCCCCCCCCCCCOC(=O)CCCCC(=O)O,CCCCCCCCCCCCOC(=O)CCCCC(=O)O,"InChI=1/C18H34O4/c1-2-3-4-5-6-7-8-9-10-13-16-22-18(21)15-12-11-14-17(19)20/h2-16H2,1H3,(H,19,20)",C18H34O4,,,,,,JBQKDXQJSYBVEN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.680,278-870-8,78204-54-3,Sodium 2-octyldodecyl sulphate,sodium 2-octyldodecyl sulfate,[Na+].CCCCCCCCCCC(CCCCCCCC)COS(=O)(=O)[O-],[Na+].CCCCCCCCCCC(CCCCCCCC)COS(=O)(=O)[O-],"InChI=1/C20H42O4S.Na/c1-3-5-7-9-11-12-14-16-18-20(19-24-25(21,22)23)17-15-13-10-8-6-4-2;/h20H,3-19H2,1-2H3,(H,21,22,23);/q;+1/p-1",C20H42O4S.Na,,,,,,YVYSGBVJJBSTII-UHFFFAOYSA-M,,,,,,,,,,,
100.071.683,278-873-4,78239-66-4,3-bromo-4-fluorobenzoyl bromide,3-bromo-4-fluorobenzoyl bromide,Fc1ccc(cc1Br)C(=O)Br,Fc1ccc(cc1Br)C(=O)Br,InChI=1/C7H3Br2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H,C7H3Br2FO,,,,,,MADVJOUJBMNYJF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.693,278-884-4,78277-99-3,"Potassium 1,3-dichloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-6-sulphonate","potassium 1,3-dichloro-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonate",[K+].[O-]S(=O)(=O)c1ccc2N(Cl)C(=O)N(Cl)C(=O)c2c1,[K+].[O-]S(=O)(=O)c1ccc2N(Cl)C(=O)N(Cl)C(=O)c2c1,"InChI=1/C8H4Cl2N2O5S.K/c9-11-6-2-1-4(18(15,16)17)3-5(6)7(13)12(10)8(11)14;/h1-3H,(H,15,16,17);/q;+1/p-1",C8H4Cl2N2O5S.K,,,,,,OXPREACPCPPQRR-UHFFFAOYSA-M,,,,,,,,,,,
100.071.694,278-886-5,78278-06-5,"Sodium 1,3-dichloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-6-sulphonate","sodium 1,3-dichloro-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonate",[Na+].[O-]S(=O)(=O)c1ccc2N(Cl)C(=O)N(Cl)C(=O)c2c1,[Na+].[O-]S(=O)(=O)c1ccc2N(Cl)C(=O)N(Cl)C(=O)c2c1,"InChI=1/C8H4Cl2N2O5S.Na/c9-11-6-2-1-4(18(15,16)17)3-5(6)7(13)12(10)8(11)14;/h1-3H,(H,15,16,17);/q;+1/p-1",C8H4Cl2N2O5S.Na,,,,,,SJDGLZCXJZAMFS-UHFFFAOYSA-M,,,,,,,,,,,
100.071.696,278-888-6,78286-02-9,"Ammonium 2,3-dimercaptopropanesulphonate","ammonium 2,3-disulfanylpropane-1-sulfonate",[NH4+].[O-]S(=O)(=O)CC(S)CS,[NH4+].[O-]S(=O)(=O)CC(S)CS,"InChI=1/C3H8O3S3.H3N/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);1H3",C3H8O3S3.H3N,,,,,,IEMMVNULOJVGIP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.698,278-890-7,78290-48-9,1-(2-chloro-5-nitrophenyl)-3-(2-hydroxyethyl)thiourea,1-(2-chloro-5-nitrophenyl)-3-(2-hydroxyethyl)thiourea,OCCNC(=S)Nc1cc(ccc1Cl)[N+](=O)[O-],OCCNC(=S)Nc1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C9H10ClN3O3S/c10-7-2-1-6(13(15)16)5-8(7)12-9(17)11-3-4-14/h1-2,5,14H,3-4H2,(H2,11,12,17)",C9H10ClN3O3S,,,,,,ZGUNZPSUOXRQQH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.700,278-892-8,78291-99-3,"2,3-dihydroimidazo[2,1-b]benzothiazol-6-amine","2,3-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine",Nc1ccc2SC3=NCCN3c2c1,Nc1ccc2SC3=NCCN3c2c1,"InChI=1/C9H9N3S/c10-6-1-2-8-7(5-6)12-4-3-11-9(12)13-8/h1-2,5H,3-4,10H2",C9H9N3S,,,,,,HJCGGAYYNMECPO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.702,278-894-9,78314-10-0,"1,4-dibromobutane-2,3-diyl diacetate","1,4-dibromobutane-2,3-diyl diacetate",CC(=O)OC(CBr)C(CBr)OC(=O)C,CC(=O)OC(CBr)C(CBr)OC(=O)C,"InChI=1/C8H12Br2O4/c1-5(11)13-7(3-9)8(4-10)14-6(2)12/h7-8H,3-4H2,1-2H3",C8H12Br2O4,,,,,,DANAEPFRHWNMKW-UHFFFAOYSA-N,,,,,,,,,,,
100.072.994,280-317-0,83249-47-2,N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(dipropylamino)phenyl]acetamide,N-{2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(dipropylamino)phenyl}acetamide,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCC)CCC)[N+]([O-])=O,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCC)CCC)[N+]([O-])=O,"InChI=1/C21H23BrN6O3/c1-4-8-27(9-5-2)16-6-7-19(20(12-16)24-14(3)29)25-26-21-15(13-23)10-17(28(30)31)11-18(21)22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,29)",C21H23BrN6O3,,,,,,MFZCNHQXBMFAEU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.997,280-320-7,83249-50-7,N-[2-[(3-chloro-4-cyanophenyl)azo]-5-(diethylamino)phenyl]-2-hydroxyacetamide,N-{2-[(3-chloro-4-cyanophenyl)diazenyl]-5-(diethylamino)phenyl}-2-hydroxyacetamide,N#Cc1ccc(cc1Cl)N=Nc2ccc(cc2NC(=O)CO)N(CC)CC,N#Cc1ccc(cc1Cl)N=Nc2ccc(cc2NC(=O)CO)N(CC)CC,"InChI=1/C19H20ClN5O2/c1-3-25(4-2)15-7-8-17(18(10-15)22-19(27)12-26)24-23-14-6-5-13(11-21)16(20)9-14/h5-10,26H,3-4,12H2,1-2H3,(H,22,27)",C19H20ClN5O2,,,,,,BQDOGQCKDKUTMD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.345,256-498-7,49831-05-2,"Dipotassium disodium 4,4'-bis[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","dipotassium disodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[K+].[K+].CC(O)CN(CC(C)O)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CC(C)O)CC(C)O)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[K+].[K+].CC(O)CN(CC(C)O)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CC(C)O)CC(C)O)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C44H52N12O16S4.2K.2Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4",C44H52N12O16S4.2K.2Na,,,,,,JZTCJJWQJRZIEV-WPYDVODASA-J,,,,,,,,,,,
100.051.346,256-499-2,49842-07-1,Tobramycin sulphate,"4,6-diamino-3-[(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside sulfate (salt)",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O.OS(=O)(=O)O,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O.OS(=O)(=O)O,"InChI=1/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2;(H2,1,2,3,4)",C18H37N5O9.xH2O4S,,,,,,ZEUUPKVZFKBXPW-TWDWGCDDSA-N,,,,,,,,,,,
100.051.347,256-500-6,49844-90-8,4-chloro-2-methylthiopyrimidine,4-chloro-2-(methylsulfanyl)pyrimidine,CSc1nccc(Cl)n1,CSc1nccc(Cl)n1,"InChI=1/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3",C5H5ClN2S,,,,,,DFOHHQRGDOQMKG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.351,256-504-8,49865-92-1,2-(4-hydroxyanilino)ethanol,4-[(2-hydroxyethyl)amino]phenol,OCCNc1ccc(O)cc1,OCCNc1ccc(O)cc1,"InChI=1/C8H11NO2/c10-6-5-9-7-1-3-8(11)4-2-7/h1-4,9-11H,5-6H2",C8H11NO2,,,,,,SOVXTYUYJRFSOG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.370,256-525-2,50293-19-1,"4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)phthalide","4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one",CCCCCCCCn1c(C)c(c2ccccc12)C3(OC(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c34)c5c(C)n(CCCCCCCC)c6ccccc56,CCCCCCCCn1c(C)c(c2ccccc12)C3(OC(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c34)c5c(C)n(CCCCCCCC)c6ccccc56,"InChI=1/C42H48Cl4N2O2/c1-5-7-9-11-13-19-25-47-27(3)34(29-21-15-17-23-31(29)47)42(36-33(41(49)50-42)37(43)39(45)40(46)38(36)44)35-28(4)48(26-20-14-12-10-8-6-2)32-24-18-16-22-30(32)35/h15-18,21-24H,5-14,19-20,25-26H2,1-4H3",C42H48Cl4N2O2,,,,,,PSGMBHLSJFAHLW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.666,257-952-7,52486-39-2,"(R)-2,2,3-trimethylcyclopent-3-ene-1-ethyl acetate","2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl acetate",CC(=O)OCCC1CC=C(C)C1(C)C,CC(=O)OCCC1CC=C(C)C1(C)C,"InChI=1/C12H20O2/c1-9-5-6-11(12(9,3)4)7-8-14-10(2)13/h5,11H,6-8H2,1-4H3",C12H20O2,,,,,,HBRWKAJTMKFEQR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.675,257-962-1,52495-41-7,Sodium tetrabromoaurate,sodium tetrabromoaurate(1-),[Na+].Br[Au-](Br)(Br)Br,[Na+].Br[Au-](Br)(Br)Br,"InChI=1/Au.4BrH.Na/h;4*1H;/q+3;;;;;+1/p-4/rAuBr4.Na/c2-1(3,4)5;/q-1;+1",AuBr4.Na,,,,,,PMPPMRNISYJZFW-UHFFFAOYSA-J,,,,,,,,,,,
100.052.694,257-983-6,52513-11-8,Benzyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride,"N-benzyl-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C24H42N2O.ClH/c1-4-5-6-7-8-9-10-11-15-19-24(27)25-20-16-21-26(2,3)22-23-17-13-12-14-18-23;/h12-14,17-18H,4-11,15-16,19-22H2,1-3H3;1H",C24H43N2O.Cl,,,,,,JOMDPISNBYPGIK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.696,257-985-7,52514-04-2,Oleoyltaurine,2-(oleoylamino)ethanesulfonic acid,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCS(=O)(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)NCCS(=O)(=O)O,"InChI=1/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25)",C20H39NO4S,,,,,,KOGRJTUIKPMZEJ-KTKRTIGZSA-N,,,,,,,,,,,
100.052.702,257-992-5,52522-49-3,"4-nitrobenzoate 2,3,5-tris-O-benzyl-D-arabinofuranose","2,3,5-tri-O-benzyl-1-O-(4-nitrobenzoyl)-D-arabinofuranose",[O-][N+](=O)c1ccc(cc1)C(=O)OC2O[C@H](COCc3ccccc3)[C@@H](OCc4ccccc4)[C@@H]2OCc5ccccc5,[O-][N+](=O)c1ccc(cc1)C(=O)OC2O[C@H](COCc3ccccc3)[C@@H](OCc4ccccc4)[C@@H]2OCc5ccccc5,"InChI=1/C33H31NO8/c35-32(27-16-18-28(19-17-27)34(36)37)42-33-31(40-22-26-14-8-3-9-15-26)30(39-21-25-12-6-2-7-13-25)29(41-33)23-38-20-24-10-4-1-5-11-24/h1-19,29-31,33H,20-23H2",C33H31NO8,,,,,,VBDBDZHLJKDSSB-UFRUDBOASA-N,,,,,,,,,,,
100.048.360,253-213-8,36790-28-0,"N-ethyl-N',N'-dimethyl-N-m-tolylethylenediamine","N-ethyl-N',N'-dimethyl-N-(3-methylphenyl)ethane-1,2-diamine",CCN(CCN(C)C)c1cccc(C)c1,CCN(CCN(C)C)c1cccc(C)c1,"InChI=1/C13H22N2/c1-5-15(10-9-14(3)4)13-8-6-7-12(2)11-13/h6-8,11H,5,9-10H2,1-4H3",C13H22N2,,,,,,PFIBWRMTMDDALJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.364,253-218-5,36797-95-2,"6-hydroxy-5-methoxypyrimidin-4(1H)-one, disodium salt","6-hydroxy-5-methoxypyrimidin-4(1H)-one, disodium salt",[Na+].[Na+].COC1=C(O)NC=NC1=O,[Na+].[Na+].COC1=C(O)NC=NC1=O,"InChI=1/C5H6N2O3.2Na/c1-10-3-4(8)6-2-7-5(3)9;;/h2H,1H3,(H2,6,7,8,9);;/q;2*+1",C5H6N2O3.2Na,,,,,,RUMJWTQIKUQSCT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.739,256-932-5,51037-74-2,2-bromo-4-chloro-4'-fluorobutyrophenone,2-bromo-4-chloro-1-(4-fluorophenyl)butan-1-one,Fc1ccc(cc1)C(=O)C(Br)CCCl,Fc1ccc(cc1)C(=O)C(Br)CCCl,"InChI=1/C10H9BrClFO/c11-9(5-6-12)10(14)7-1-3-8(13)4-2-7/h1-4,9H,5-6H2",C10H9BrClFO,,,,,,LTDBFRKGDVLQLR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.743,256-936-7,51051-65-1,Ethyl 3-ethyl-2-methyl-4-oxo(cyclohex-2-ene)carboxylate,ethyl 3-ethyl-2-methyl-4-oxocyclohex-1-ene-1-carboxylate,CCOC(=O)C1=C(C)C(CC)C(=O)CC1,CCOC(=O)C1=C(C)C(CC)C(=O)CC1,"InChI=1/C12H18O3/c1-4-9-8(3)10(6-7-11(9)13)12(14)15-5-2/h9H,4-7H2,1-3H3",C12H18O3,,,,,,TWQIXIZGZKWTIL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.744,256-937-2,51052-01-8,"5,5-dihydroxyvaleraldehyde","5,5-dihydroxypentanal",OC(O)CCCC=O,OC(O)CCCC=O,"InChI=1/C5H10O3/c6-4-2-1-3-5(7)8/h4-5,7-8H,1-3H2",C5H10O3,,,,,,JVWLHJMVGBZOGY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.747,256-940-9,51063-44-6,Isododecylbenzene,(10-methylundecyl)benzene,CC(C)CCCCCCCCCc1ccccc1,CC(C)CCCCCCCCCc1ccccc1,"InChI=1/C18H30/c1-17(2)13-9-6-4-3-5-7-10-14-18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3",C18H30,,,,,,WBULCZWMWLOUQW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.877,258-184-5,52788-80-4,2-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropane,2-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropane,CCOCCOCCOC(C)(C)C,CCOCCOCCOC(C)(C)C,"InChI=1/C10H22O3/c1-5-11-6-7-12-8-9-13-10(2,3)4/h5-9H2,1-4H3",C10H22O3,,,,,,KBNFGTQCYBBZJA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.701,253-590-9,37673-22-6,Nonyl 5-oxo-L-prolinate,nonyl 5-oxo-L-prolinate,CCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C14H25NO3/c1-2-3-4-5-6-7-8-11-18-14(17)12-9-10-13(16)15-12/h12H,2-11H2,1H3,(H,15,16)",C14H25NO3,,,,,,ZLOYQBAMRXWHFZ-LBPRGKRZSA-N,,,,,,,,,,,
100.048.702,253-591-4,37673-23-7,Decyl 5-oxo-L-prolinate,decyl 5-oxo-L-prolinate,CCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C15H27NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h13H,2-12H2,1H3,(H,16,17)",C15H27NO3,,,,,,YWXABWYIMLHFSQ-ZDUSSCGKSA-N,,,,,,,,,,,
100.048.703,253-593-5,37673-24-8,Undecyl 5-oxo-L-prolinate,undecyl 5-oxo-L-prolinate,CCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-13-20-16(19)14-11-12-15(18)17-14/h14H,2-13H2,1H3,(H,17,18)",C16H29NO3,,,,,,XWCIHBWSVCHGIS-AWEZNQCLSA-N,,,,,,,,,,,
100.048.704,253-594-0,37673-26-0,Tridecyl 5-oxo-L-prolinate,tridecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-18(21)16-13-14-17(20)19-16/h16H,2-15H2,1H3,(H,19,20)",C18H33NO3,,,,,,OZOVXOAZDQCMAM-INIZCTEOSA-N,,,,,,,,,,,
100.048.705,253-595-6,37673-27-1,Tetradecyl 5-oxo-L-prolinate,tetradecyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-19(22)17-14-15-18(21)20-17/h17H,2-16H2,1H3,(H,20,21)",C19H35NO3,,,,,,PMWMXMYOKCFDIB-KRWDZBQOSA-N,,,,,,,,,,,
100.048.710,253-600-1,37673-32-8,1-octylnonyl 5-oxo-L-prolinate,1-octylnonyl 5-oxo-L-prolinate,CCCCCCCCC(CCCCCCCC)OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCC(CCCCCCCC)OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C22H41NO3/c1-3-5-7-9-11-13-15-19(16-14-12-10-8-6-4-2)26-22(25)20-17-18-21(24)23-20/h19-20H,3-18H2,1-2H3,(H,23,24)",C22H41NO3,,,,,,JSEKZIVVPNHCBT-FQEVSTJZSA-N,,,,,,,,,,,
100.048.714,253-604-3,37673-37-3,2-octyldodecyl 5-oxo-L-prolinate,2-octyldodecyl 5-oxo-L-prolinate,CCCCCCCCCCC(CCCCCCCC)COC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCC(CCCCCCCC)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C25H47NO3/c1-3-5-7-9-11-12-14-16-18-22(17-15-13-10-8-6-4-2)21-29-25(28)23-19-20-24(27)26-23/h22-23H,3-21H2,1-2H3,(H,26,27)",C25H47NO3,,,,,,HQWLBRJUMWPIOA-WCSIJFPASA-N,,,,,,,,,,,
100.048.715,253-605-9,37673-38-4,Docosyl 5-oxo-L-prolinate,docosyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C27H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(30)25-22-23-26(29)28-25/h25H,2-24H2,1H3,(H,28,29)",C27H51NO3,,,,,,GKCVFDIGISJVBA-VWLOTQADSA-N,,,,,,,,,,,
100.048.722,253-613-2,37675-88-0,Sodium bis(5-oxo-L-prolinate),sodium bis(5-oxo-L-prolinate),[Na+].[Na+].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[Na+].[Na+].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.2Na/c2*7-4-2-1-3(6-4)5(8)9;;/h2*3H,1-2H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2",C5H7NO3.1/2Na,,,,,,HFDJCQPFBSOJFL-OYIAIMIOSA-L,,,,,,,,,,,
100.048.723,253-614-8,37676-00-9,Methyl 2-[methyl(2-methylphenyl)amino]benzoate,methyl 2-[methyl(2-methylphenyl)amino]benzoate,COC(=O)c1ccccc1N(C)c2ccccc2C,COC(=O)c1ccccc1N(C)c2ccccc2C,"InChI=1/C16H17NO2/c1-12-8-4-6-10-14(12)17(2)15-11-7-5-9-13(15)16(18)19-3/h4-11H,1-3H3",C16H17NO2,,,,,,CCEKAFYQQNLXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.725,253-616-9,37677-10-4,"3-[2-(3,3-dimethyloxiranyl)ethyl]cyclohex-3-ene-1-carbaldehyde","3-[2-(3,3-dimethyloxiran-2-yl)ethyl]cyclohex-3-ene-1-carbaldehyde",CC1(C)OC1CCC2=CCCC(C2)C=O,CC1(C)OC1CCC2=CCCC(C2)C=O,"InChI=1/C13H20O2/c1-13(2)12(15-13)7-6-10-4-3-5-11(8-10)9-14/h4,9,11-12H,3,5-8H2,1-2H3",C13H20O2,,,,,,SEDWZYHPNYWAAG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.896,254-904-7,40390-14-5,Hexyl (±)-2-(4-chloro-2-methylphenoxy)propionate,hexyl 2-(4-chloro-2-methylphenoxy)propanoate,CCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1C,CCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C16H23ClO3/c1-4-5-6-7-10-19-16(18)13(3)20-15-9-8-14(17)11-12(15)2/h8-9,11,13H,4-7,10H2,1-3H3",C16H23ClO3,,,,,,CTEMTHHVDQHQJA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.897,254-905-2,40391-99-9,(3-amino-1-hydroxypropylidene)bisphosphonic acid,"(3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid)",NCCC(O)(P(=O)(O)O)P(=O)(O)O,NCCC(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)",C3H11NO7P2,,,,,,WRUUGTRCQOWXEG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.529,254-501-6,39546-32-2,Piperidine-4-carboxamide,piperidine-4-carboxamide,NC(=O)C1CCNCC1,NC(=O)C1CCNCC1,"InChI=1/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)",C6H12N2O,,,,,,DPBWFNDFMCCGGJ-UHFFFAOYSA-N,Positive,AU223001|AU223002|AU223003;EQ315501|EQ315502|EQ315503|EQ315504|EQ315505|EQ315506,[M+H]+;[M+H]+,CID10|CID20|CID30;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,129.1026:130.1056:112.0759|129.1024:112.0756|112.0781;112.0757:129.1022:84.0807|112.0757:129.1022:84.0808|112.0757:129.1022:84.0807|112.0757:84.0808:129.1022|112.0757:84.0808:129.1022|84.0808:112.0757:94.0651,Athens_Univ;Eawag,,,,,
100.049.530,254-502-1,39549-27-4,"2,4-dichloro-6-nitro-m-cresol","2,4-dichloro-3-methyl-6-nitrophenol",Cc1c(Cl)cc(c(O)c1Cl)[N+](=O)[O-],Cc1c(Cl)cc(c(O)c1Cl)[N+](=O)[O-],"InChI=1/C7H5Cl2NO3/c1-3-4(8)2-5(10(12)13)7(11)6(3)9/h2,11H,1H3",C7H5Cl2NO3,,,,,,VMBRJHMTAZXHES-UHFFFAOYSA-N,,,,,,,,,,,
100.049.535,254-507-9,39557-43-2,Sodium hydrogen DL-aspartate,sodium hydrogen 2-aminosuccinate,[Na+].N[C@@H](CC(=O)[O-])C(=O)[O-],[Na+].N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-2",C4H7NO4.Na,,,,,,WTWSHHITWMVLBX-DKWTVANSSA-L,,,,,,,,,,,
100.049.539,254-512-6,39562-58-8,"4,4-dimethoxybutan-2-ol","4,4-dimethoxybutan-2-ol",COC(CC(C)O)OC,COC(CC(C)O)OC,"InChI=1/C6H14O3/c1-5(7)4-6(8-2)9-3/h5-7H,4H2,1-3H3",C6H14O3,,,,,,QBOIGWDDFIREJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.542,254-515-2,39565-05-4,p-nitrophenyl-2-aminothiazol-5-ylsulphone,"5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-amine",Nc1ncc(s1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-],Nc1ncc(s1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C9H7N3O4S2/c10-9-11-5-8(17-9)18(15,16)7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)",C9H7N3O4S2,,,,,,GKTKCGAOXFHFTD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.545,254-518-9,39568-91-7,"2,3,5,6-tetrabromo-p-xylene-a,a'-diol","(2,3,5,6-tetrabromo-1,4-phenylene)dimethanol",OCc1c(Br)c(Br)c(CO)c(Br)c1Br,OCc1c(Br)c(Br)c(CO)c(Br)c1Br,"InChI=1/C8H6Br4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h13-14H,1-2H2",C8H6Br4O2,,,,,,DIJZCMNVRFTVBB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.546,254-519-4,39568-98-4,"1,2,4,5-tetrabromo-3,6-bis(chloromethyl)benzene","1,2,4,5-tetrabromo-3,6-bis(chloromethyl)benzene",ClCc1c(Br)c(Br)c(CCl)c(Br)c1Br,ClCc1c(Br)c(Br)c(CCl)c(Br)c1Br,InChI=1/C8H4Br4Cl2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H2,C8H4Br4Cl2,,,,,,ILZQVEFCITYZFF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.548,254-522-0,39569-21-6,"2,3,4,5-tetrabromo-6-chlorotoluene","1,2,3,4-tetrabromo-5-chloro-6-methylbenzene",Cc1c(Cl)c(Br)c(Br)c(Br)c1Br,Cc1c(Cl)c(Br)c(Br)c(Br)c1Br,InChI=1/C7H3Br4Cl/c1-2-3(8)4(9)5(10)6(11)7(2)12/h1H3,C7H3Br4Cl,,,,,,WMXWTOJJASZOCL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.549,254-523-6,39572-08-2,4-chloro-2-phenoxybenzothiazole,"4-chloro-2-phenoxy-1,3-benzothiazole",Clc1cccc2sc(Oc3ccccc3)nc12,Clc1cccc2sc(Oc3ccccc3)nc12,InChI=1/C13H8ClNOS/c14-10-7-4-8-11-12(10)15-13(17-11)16-9-5-2-1-3-6-9/h1-8H,C13H8ClNOS,,,,,,NKVPWNHIBCRAPO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.550,254-524-1,39572-10-6,2-(o-methoxyphenoxy)thiazole,"2-(2-methoxyphenoxy)-1,3-thiazole",COc1ccccc1Oc2nccs2,COc1ccccc1Oc2nccs2,"InChI=1/C10H9NO2S/c1-12-8-4-2-3-5-9(8)13-10-11-6-7-14-10/h2-7H,1H3",C10H9NO2S,,,,,,HMYOSXCMLRLQFV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.551,254-525-7,39572-15-1,"5-(p-nitrophenylthio)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione","5-[(4-nitrophenyl)sulfanyl]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione",[O-][N+](=O)c1ccc(SC2=NN(C(=S)S2)c3ccccc3)cc1,[O-][N+](=O)c1ccc(SC2=NN(C(=S)S2)c3ccccc3)cc1,InChI=1/C14H9N3O2S3/c18-17(19)11-6-8-12(9-7-11)21-13-15-16(14(20)22-13)10-4-2-1-3-5-10/h1-9H,C14H9N3O2S3,,,,,,UOKYWTUDYYLKOD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.554,254-528-3,39575-65-0,"5,6-dihydro-4,4,6-trimethyl-2-(1-methylvinyl)-4H-1,3-oxazine","2-isopropenyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine",CC1CC(C)(C)N=C(O1)C(=C)C,CC1CC(C)(C)N=C(O1)C(=C)C,"InChI=1/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h8H,1,6H2,2-5H3",C10H17NO,,,,,,NXCYOVQRBLCDPD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.555,254-529-9,39577-43-0,1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine,1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine,ClCCCN1CCN(CC1)c2cccc(Cl)c2,ClCCCN1CCN(CC1)c2cccc(Cl)c2,"InChI=1/C13H18Cl2N2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2",C13H18Cl2N2,,,,,,NDQKGEFMUGSRNS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.557,254-532-5,39585-12-1,Methyl 3-cyano-2-methylpropionate,methyl 3-cyano-2-methylpropanoate,COC(=O)C(C)CC#N,COC(=O)C(C)CC#N,"InChI=1/C6H9NO2/c1-5(3-4-7)6(8)9-2/h5H,3H2,1-2H3",C6H9NO2,,,,,,OPJCVJWGOWBMJU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.561,254-536-7,39595-61-4,"1,1,3-triethoxypentane","1,1,3-triethoxypentane",CCOC(CC)CC(OCC)OCC,CCOC(CC)CC(OCC)OCC,"InChI=1/C11H24O3/c1-5-10(12-6-2)9-11(13-7-3)14-8-4/h10-11H,5-9H2,1-4H3",C11H24O3,,,,,,PWKMTQDJPIKIPC-UHFFFAOYSA-N,,,,,,,,,,,
100.074.626,282-114-2,84100-33-4,(5-acetamido-2-ethoxyphenyl)bis(2-acetoxyethyl)ammonium acetate,"5-acetamido-N,N-bis(2-acetoxyethyl)-2-ethoxyanilinium acetate",CCOc1ccc(NC(=O)C)cc1[NH+](CCOC(=O)C)CCOC(=O)C.CC(=O)[O-],CCOc1ccc(NC(=O)C)cc1[NH+](CCOC(=O)C)CCOC(=O)C.CC(=O)[O-],"InChI=1/C18H26N2O6.C2H4O2/c1-5-24-18-7-6-16(19-13(2)21)12-17(18)20(8-10-25-14(3)22)9-11-26-15(4)23;1-2(3)4/h6-7,12H,5,8-11H2,1-4H3,(H,19,21);1H3,(H,3,4)",C18H26N2O6.C2H4O2,,,,,,FYYAIYGUSMAKNK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.628,282-116-3,84100-35-6,"Disodium m-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 3-(5-hydroxy-3-methyl-4-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrazol-1-yl)benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)n4nc(C)c(C=C3C(\\C)=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O)c4O,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)n4nc(C)c(C=C3C(\C)=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O)c4O,"InChI=1/C21H18N4O8S2.2Na/c1-12-18(20(26)24(22-12)14-5-3-7-16(9-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-6-4-8-17(10-15)35(31,32)33;;/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C21H18N4O8S2.2Na,,,,,,CFGLEQQCHNCICA-UHFFFAOYSA-L,,,,,,,,,,,
100.074.644,282-134-1,84100-54-9,4-(ethylamino)piperidine-4-carboxamide,4-(ethylamino)piperidine-4-carboxamide,CCNC1(CCNCC1)C(=O)N,CCNC1(CCNCC1)C(=O)N,"InChI=1/C8H17N3O/c1-2-11-8(7(9)12)3-5-10-6-4-8/h10-11H,2-6H2,1H3,(H2,9,12)",C8H17N3O,,,,,,AVEQCXBQACLXDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.789,282-294-2,84145-66-4,"2-methyl-N-octadecyl-N-(tetrahydro-2,5-dioxo-3-furyl)propionamide","N-(2,5-dioxotetrahydrofuran-3-yl)-2-methyl-N-octadecylpropanamide",CCCCCCCCCCCCCCCCCCN(C1CC(=O)OC1=O)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN(C1CC(=O)OC1=O)C(=O)C(C)C,"InChI=1/C26H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(25(29)22(2)3)23-21-24(28)31-26(23)30/h22-23H,4-21H2,1-3H3",C26H47NO4,,,,,,OHUPFRGAUGZKCY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.792,282-297-9,84145-69-7,3-[(4-fluoro-2-nitrophenyl)amino]propanol,3-[(4-fluoro-2-nitrophenyl)amino]propan-1-ol,OCCCNc1ccc(F)cc1[N+](=O)[O-],OCCCNc1ccc(F)cc1[N+](=O)[O-],"InChI=1/C9H11FN2O3/c10-7-2-3-8(11-4-1-5-13)9(6-7)12(14)15/h2-3,6,11,13H,1,4-5H2",C9H11FN2O3,,,,,,BUEQGTVYXFOTHO-UHFFFAOYSA-N,,,,,,,,,,,
100.074.793,282-298-4,84145-70-0,3-[(2-amino-4-fluorophenyl)amino]propan-1-ol,3-[(2-amino-4-fluorophenyl)amino]propan-1-ol,Nc1cc(F)ccc1NCCCO,Nc1cc(F)ccc1NCCCO,"InChI=1/C9H13FN2O/c10-7-2-3-9(8(11)6-7)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2",C9H13FN2O,,,,,,WCBFEGBRVMJQBR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.801,282-308-7,84145-78-8,"3,7-diaminophenothiazin-5-ium tetrafluoroborate","3,7-diaminophenothiazin-5-ium tetrafluoroborate",Nc1ccc2nc3ccc(N)cc3[s+]c2c1.F[B-](F)(F)F,Nc1ccc2nc3ccc(N)cc3[s+]c2c1.F[B-](F)(F)F,"InChI=1/C12H10N3S.BF4/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;2-1(3,4)5/h1-6H,13-14H2;/q+1;-1",C12H10N3S.BF4,,,,,,QUSODGRLBZNJAY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.804,282-311-3,84145-83-5,7-amino-3-(ethylamino)-2-methylphenoxazin-5-ium perchlorate,7-amino-3-(ethylamino)-2-methylphenoxazin-5-ium perchlorate,CCNc1cc2[o+]c3cc(N)ccc3nc2cc1C.[O-]Cl(=O)(=O)=O,CCNc1cc2[o+]c3cc(N)ccc3nc2cc1C.[O-]Cl(=O)(=O)=O,"InChI=1/C15H16N3O.ClHO4/c1-3-17-12-8-15-13(6-9(12)2)18-11-5-4-10(16)7-14(11)19-15;2-1(3,4)5/h4-8,17H,3,16H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",C15H16N3O.ClO4,,,,,,KDNDZQNSEQWVRR-UHFFFAOYSA-M,,,,,,,,,,,
100.074.813,282-321-8,84166-98-3,"4-[(5-cyano-1-hexyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]-N,N-bis(2-ethylhexyl)benzamide","4-[(5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide",CCC(CCCC)CN(CC(CC)CCCC)C(=O)c1ccc(cc1)N=N/C2=C(\\O)N(CCCCCC)C(=O)C(/C#N)=C2/C,CCC(CCCC)CN(CC(CC)CCCC)C(=O)c1ccc(cc1)N=N/C2=C(\O)N(CCCCCC)C(=O)C(/C#N)=C2/C,"InChI=1/C36H55N5O3/c1-7-12-15-16-23-41-35(43)32(24-37)27(6)33(36(41)44)39-38-31-21-19-30(20-22-31)34(42)40(25-28(10-4)17-13-8-2)26-29(11-5)18-14-9-3/h19-22,28-29,44H,7-18,23,25-26H2,1-6H3",C36H55N5O3,,,,,,HUCHNQLVTSFNRG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.818,282-327-0,84176-60-3,"5-methyl-1H-benzotriazole, compound with morpholine",6-methyl-1H-benzotriazole - morpholine (1:1),Cc1ccc2nn[nH]c2c1.C3COCCN3,Cc1ccc2nn[nH]c2c1.C3COCCN3,"InChI=1/C7H7N3.C4H9NO/c1-5-2-3-6-7(4-5)9-10-8-6;1-3-6-4-2-5-1/h2-4H,1H3,(H,8,9,10);5H,1-4H2",C7H7N3.xC4H9NO,,,,,,GBLACWHHPFOKFE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.821,282-330-7,84176-63-6,4-methylpyridinium decyl sulphate,4-methylpyridinium decyl sulfate,CCCCCCCCCCOS(=O)(=O)[O-].Cc1cc[nH+]cc1,CCCCCCCCCCOS(=O)(=O)[O-].Cc1cc[nH+]cc1,"InChI=1/C10H22O4S.C6H7N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-6-2-4-7-5-3-6/h2-10H2,1H3,(H,11,12,13);2-5H,1H3",C12H26O4S.C6H7N,,,,,,WCQCSIZGSOLROM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.825,282-334-9,84176-68-1,"N'-(2-methoxyethyl)-N,N-dimethylpropane-1,3-diamine","N'-(2-methoxyethyl)-N,N-dimethylpropane-1,3-diamine",COCCNCCCN(C)C,COCCNCCCN(C)C,"InChI=1/C8H20N2O/c1-10(2)7-4-5-9-6-8-11-3/h9H,4-8H2,1-3H3",C8H20N2O,,,,,,ZRBJURRZDDZZAK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.875,254-881-3,40317-69-9,"1-amino-4-hydroxy-5,8-bis(methylamino)anthraquinone","1-amino-4-hydroxy-5,8-bis(methylamino)-9,10-anthraquinone",CNc1ccc(NC)c2C(=O)c3c(O)ccc(N)c3C(=O)c12,CNc1ccc(NC)c2C(=O)c3c(O)ccc(N)c3C(=O)c12,"InChI=1/C16H15N3O3/c1-18-8-4-5-9(19-2)13-12(8)15(21)11-7(17)3-6-10(20)14(11)16(13)22/h3-6,18-20H,17H2,1-2H3",C16H15N3O3,,,,,,FOTVEZWKOYVUKP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.880,254-887-6,40353-34-2,"3,4-dihydro-7-nitronaphthalen-1(2H)-one","7-nitro-3,4-dihydronaphthalen-1(2H)-one",[O-][N+](=O)c1ccc2CCCC(=O)c2c1,[O-][N+](=O)c1ccc2CCCC(=O)c2c1,"InChI=1/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2",C10H9NO3,,,,,,GWAQYWSNCVEJMW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.887,254-894-4,40372-66-5,"2-phosphonobutane-1,2,4-tricarboxylic acid, sodium salt","pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate",[Na]OC(=O)CCC(CC(=O)O[Na])(C(=O)O[Na])P(=O)(O[Na])O[Na],[Na]OC(=O)CCC(CC(=O)O[Na])(C(=O)O[Na])P(=O)(O[Na])O[Na],"InChI=1/C7H11O9P.5Na/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);;;;;/q;5*+1/p-5/rC7H9Na2O9P.3Na/c8-17-19(16,18-9)7(6(14)15,3-5(12)13)2-1-4(10)11;;;/h1-3H2,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/p-3",C7H11O9P.xNa,,,,,,LIQLLUGYBKEWRJ-UHFFFAOYSA-I,,,,,,,,,,,
100.049.888,254-896-5,40372-72-3,"4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane","4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane",CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C18H42O6S4Si2/c1-7-19-29(20-8-2,21-9-3)17-13-15-25-27-28-26-16-14-18-30(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3",C18H42O6S4Si2,,,,,,VTHOKNTVYKTUPI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.889,254-897-0,40377-69-3,"6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonic acid, monoester with 2,3,4-trihydroxybenzophenone","3-benzoyl-2,6-dihydroxyphenyl 6-hydrazono-5-oxo-5,6-dihydronaphthalene-1-sulfonate",NN=C1C=Cc2c(cccc2S(=O)(=O)Oc3c(O)ccc(C(=O)c4ccccc4)c3O)C1=O,NN=C1C=Cc2c(cccc2S(=O)(=O)Oc3c(O)ccc(C(=O)c4ccccc4)c3O)C1=O,"InChI=1/C23H16N2O7S/c24-25-17-11-9-14-15(21(17)28)7-4-8-19(14)33(30,31)32-23-18(26)12-10-16(22(23)29)20(27)13-5-2-1-3-6-13/h1-12,26,29H,24H2",C23H14N2O7S,,,,,,ZWLYDCRVQAXOGC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.894,254-902-6,40390-12-3,3-hydroxybutyl 2-(4-chloro-2-methylphenoxy)propionate,3-hydroxybutyl 2-(4-chloro-2-methylphenoxy)propanoate,CC(O)CCOC(=O)C(C)Oc1ccc(Cl)cc1C,CC(O)CCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C14H19ClO4/c1-9-8-12(15)4-5-13(9)19-11(3)14(17)18-7-6-10(2)16/h4-5,8,10-11,16H,6-7H2,1-3H3",C14H19ClO4,,,,,,RIUWAQXPPSBCQL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.895,254-903-1,40390-13-4,2-butoxyethyl (±)-2-(4-chloro-2-methylphenoxy)propionate,2-butoxyethyl 2-(4-chloro-2-methylphenoxy)propanoate,CCCCOCCOC(=O)C(C)Oc1ccc(Cl)cc1C,CCCCOCCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C16H23ClO4/c1-4-5-8-19-9-10-20-16(18)13(3)21-15-7-6-14(17)11-12(15)2/h6-7,11,13H,4-5,8-10H2,1-3H3",C16H23ClO4,,,,,,GWFGUAFFJVHZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.528,254-500-0,39544-74-6,Benzotript,N-(4-chlorobenzoyl)-L-tryptophan,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3,"InChI=1/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)",C18H15ClN2O3,,,,,,QJERBBQXOMUURJ-INIZCTEOSA-N,,,,,,,,,,,
100.049.531,254-503-7,39549-31-0,"6-amino-2,4-dichloro-m-cresol hydrochloride","6-amino-2,4-dichloro-3-methylphenol hydrochloride",Cl.Cc1c(Cl)cc(N)c(O)c1Cl,Cl.Cc1c(Cl)cc(N)c(O)c1Cl,"InChI=1/C7H7Cl2NO.ClH/c1-3-4(8)2-5(10)7(11)6(3)9;/h2,11H,10H2,1H3;1H",C7H7Cl2NO.ClH,,,,,,ZOQYQHLEDJOHOK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.538,254-511-0,39562-22-6,2-methoxyethyl 2-[(3-nitrophenyl)methylene]acetoacetate,2-methoxyethyl 2-(3-nitrobenzylidene)-3-oxobutanoate,CC(=O)C(=Cc1cccc(c1)[N+]([O-])=O)C(=O)OCCOC,CC(=O)C(=Cc1cccc(c1)[N+]([O-])=O)C(=O)OCCOC,"InChI=1/C14H15NO6/c1-10(16)13(14(17)21-7-6-20-2)9-11-4-3-5-12(8-11)15(18)19/h3-5,8-9H,6-7H2,1-2H3",C14H15NO6,,,,,,UVZJPCAZMGLNTB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.540,254-513-1,39562-70-4,Nitrendipine,"ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C,CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C,"InChI=1/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3",C18H20N2O6,,,,,,PVHUJELLJLJGLN-UHFFFAOYSA-N,Positive/Negative,SM849802,[M+H]+,HCD35,315.0976:329.1133:361.1395,CASMI_2016,SM849851,[M-H]-,HCD35,359.125:122.0242:92.0253,CASMI_2016
100.049.547,254-521-5,39568-99-5,"3,6-bis(bromomethyl)-1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromo-3,6-bis(bromomethyl)benzene",BrCc1c(Br)c(Br)c(CBr)c(Br)c1Br,BrCc1c(Br)c(Br)c(CBr)c(Br)c1Br,InChI=1/C8H4Br6/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2,C8H4Br6,,,,,,OXPRYRDKGWKGSY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.553,254-527-8,39572-18-4,1-[4-(pyridin-3-yloxy)phenyl]ethan-1-one,1-[4-(pyridin-3-yloxy)phenyl]ethanone,CC(=O)c1ccc(Oc2cccnc2)cc1,CC(=O)c1ccc(Oc2cccnc2)cc1,"InChI=1/C13H11NO2/c1-10(15)11-4-6-12(7-5-11)16-13-3-2-8-14-9-13/h2-9H,1H3",C13H11NO2,,,,,,CLOBDYGKUVCMRD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.556,254-530-4,39583-10-3,Heptyl mercaptoacetate,heptyl sulfanylacetate,CCCCCCCOC(=O)CS,CCCCCCCOC(=O)CS,"InChI=1/C9H18O2S/c1-2-3-4-5-6-7-11-9(10)8-12/h12H,2-8H2,1H3",C9H18O2S,,,,,,GBJFQMKBFBYNPC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.728,253-620-0,37678-73-2,"1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinesulphonic acid","6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-sulfonic acid",CN1C(=CC(=C(C1=O)S(=O)(=O)O)C)O,CN1C(=CC(=C(C1=O)S(=O)(=O)O)C)O,"InChI=1/C7H9NO5S/c1-4-3-5(9)8(2)7(10)6(4)14(11,12)13/h3,9H,1-2H3,(H,11,12,13)",C7H9NO5S,,,,,,ZETDSOQUFSTLRH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.735,253-627-9,37687-57-3,2-chloro-3-hydroxy-p-anisaldehyde,2-chloro-3-hydroxy-4-methoxybenzaldehyde,COc1ccc(C=O)c(Cl)c1O,COc1ccc(C=O)c(Cl)c1O,"InChI=1/C8H7ClO3/c1-12-6-3-2-5(4-10)7(9)8(6)11/h2-4,11H,1H3",C8H7ClO3,,,,,,DTMJGFBJQBQOIA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.737,253-630-5,37689-89-7,"(S)-2,7-diaminoheptanoic acid","2,7-diaminoheptanoic acid",NCCCCC[C@H](N)C(=O)O,NCCCCC[C@H](N)C(=O)O,"InChI=1/C7H16N2O2/c8-5-3-1-2-4-6(9)7(10)11/h6H,1-5,8-9H2,(H,10,11)",C7H16N2O2,,,,,,NMDDZEVVQDPECF-LURJTMIESA-N,,,,,,,,,,,
100.052.002,257-221-2,51464-74-5,"1,1'-(pentane-1,5-diyl)bis[1-methylpyrrolidinium] dibromide","1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) dibromide",[Br-].[Br-].C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,[Br-].[Br-].C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,"InChI=1/C15H32N2.2BrH/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;;/h3-15H2,1-2H3;2*1H/q+2;;/p-2",C15H32N2.2Br,,,,,,FUHDSRZEOUGXTF-UHFFFAOYSA-L,,,,,,,,,,,
100.052.007,257-227-5,51473-24-6,Isodecyl myristate,8-methylnonyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C,CCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C,"InChI=1/C24H48O2/c1-4-5-6-7-8-9-10-11-12-15-18-21-24(25)26-22-19-16-13-14-17-20-23(2)3/h23H,4-22H2,1-3H3",C24H48O2,,,,,,BAEBJZOXCRMTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.009,257-229-6,51475-16-2,1-[2-[ethyl(3-methylphenyl)amino]ethyl]pyridinium chloride,1-{2-[ethyl(3-methylphenyl)amino]ethyl}pyridinium chloride,[Cl-].CCN(CC[n+]1ccccc1)c2cccc(C)c2,[Cl-].CCN(CC[n+]1ccccc1)c2cccc(C)c2,"InChI=1/C16H21N2.ClH/c1-3-18(16-9-7-8-15(2)14-16)13-12-17-10-5-4-6-11-17;/h4-11,14H,3,12-13H2,1-2H3;1H/q+1;/p-1",C16H21N2.Cl,,,,,,NCWJMUJYIMRNHK-UHFFFAOYSA-M,,,,,,,,,,,
100.052.012,257-232-2,51481-61-9,Cimetidine,2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine,Cc1ncnc1CSCCNC(=NC#N)NC,Cc1ncnc1CSCCNC(=NC#N)NC,"InChI=1/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)",C10H16N6S,,,,,,AQIXAKUUQRKLND-UHFFFAOYSA-N,Positive/Negative,EQ372201|EQ372202|EQ372203|EQ372204|EQ372205|EQ372206|EQ372207|EQ372208|EQ372209,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,253.1227:159.0697:117.048|159.0697:117.048:95.0603|95.0603:159.0698:117.048|95.0603:117.048:99.0664|95.0603:117.048:99.0664|95.0603:117.048:82.0399|95.0603:54.0338:61.0106|54.0338:95.0603:61.0106|54.0338:57.0447:61.0106,Eawag,EQ372251|EQ372252|EQ372253|EQ372254|EQ372255|EQ372256|EQ372257|EQ372258|EQ372259,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,157.0553:97.0519:123.0677|97.0519:157.0553:123.0676|97.0519:55.0301:123.0677|97.0519:55.0301:123.0676|97.0519:55.0301:123.0677|55.0301:97.0519:66.0098|55.0301:66.0098:97.0519|55.0301:66.0098:97.0519|66.0098:55.0301,Eawag
100.052.014,257-234-3,51482-39-4,Methyl O-tert-butyl-L-tyrosinate hydrochloride,methyl O-tert-butyl-L-tyrosinate hydrochloride,Cl.COC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1,Cl.COC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1,"InChI=1/C14H21NO3.ClH/c1-14(2,3)18-11-7-5-10(6-8-11)9-12(15)13(16)17-4;/h5-8,12H,9,15H2,1-4H3;1H",C14H21NO3.ClH,,,,,,PAFVAMWJVIIMQK-YDALLXLXSA-N,,,,,,,,,,,
100.052.016,257-236-4,51487-69-5,o-(2-chloro-1-methoxyethoxy)phenyl methylcarbamate,2-(2-chloro-1-methoxyethoxy)phenyl methylcarbamate,CNC(=O)Oc1ccccc1OC(CCl)OC,CNC(=O)Oc1ccccc1OC(CCl)OC,"InChI=1/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)",C11H14ClNO4,,,,,,PITWUHDDNUVBPT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.018,257-239-0,51493-19-7,Cinprazole,1-phenyl-3-(2-{[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]methyl}-1H-benzimidazol-1-yl)propan-1-one,O=C(CCn3c4ccccc4nc3CN2CCN(CC=Cc1ccccc1)CC2)c5ccccc5,O=C(CCn3c4ccccc4nc3CN2CCN(CC=Cc1ccccc1)CC2)c5ccccc5,"InChI=1/C30H32N4O/c35-29(26-13-5-2-6-14-26)17-19-34-28-16-8-7-15-27(28)31-30(34)24-33-22-20-32(21-23-33)18-9-12-25-10-3-1-4-11-25/h1-16H,17-24H2",C30H32N4O,,,,,,VIAYOUBFHWUVLW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.021,257-242-7,51498-24-9,Sodium a-methyldibenzofuran-2-acetate,"sodium 2-dibenzo[b,d]furan-2-ylpropanoate",[Na+].CC(C(=O)[O-])c1ccc2oc3ccccc3c2c1,[Na+].CC(C(=O)[O-])c1ccc2oc3ccccc3c2c1,"InChI=1/C15H12O3.Na/c1-9(15(16)17)10-6-7-14-12(8-10)11-4-2-3-5-13(11)18-14;/h2-9H,1H3,(H,16,17);/q;+1/p-1",C15H12O3.Na,,,,,,CJALJUTTZPATDN-UHFFFAOYSA-M,,,,,,,,,,,
100.052.022,257-243-2,51498-37-4,4-hydroxy-3-pyridinesulphonic acid,4-hydroxypyridine-3-sulfonic acid,Oc1ccncc1S(=O)(=O)O,Oc1ccncc1S(=O)(=O)O,"InChI=1/C5H5NO4S/c7-4-1-2-6-3-5(4)11(8,9)10/h1-3H,(H,6,7)(H,8,9,10)",C5H5NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18851,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.022,AZRCSTMIVMQIPR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.025,257-246-9,51503-08-3,p-tert-butoxybenzyl alcohol,(4-tert-butoxyphenyl)methanol,CC(C)(C)Oc1ccc(CO)cc1,CC(C)(C)Oc1ccc(CO)cc1,"InChI=1/C11H16O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3",C11H16O2,,,,,,HXCIWXCKKJLNMH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.028,257-250-0,51517-45-4,"2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)benzoic acid","2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)benzoic acid",OC(=O)c1ccccc1C2=C3C=CC4=CC(=O)C=CC4=C3Oc5c2ccc6cc(O)ccc56,OC(=O)c1ccccc1C2=C3C=CC4=CC(=O)C=CC4=C3Oc5c2ccc6cc(O)ccc56,"InChI=1/C28H16O5/c29-17-7-11-19-15(13-17)5-9-23-25(21-3-1-2-4-22(21)28(31)32)24-10-6-16-14-18(30)8-12-20(16)27(24)33-26(19)23/h1-14,29H,(H,31,32)",C28H16O5,,,,,,LFZLBQHTPRXHSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.035,257-257-9,51535-00-3,Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate,methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate,COC(=O)C1CN(Cc2ccccc2)C(=O)C1,COC(=O)C1CN(Cc2ccccc2)C(=O)C1,"InChI=1/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3",C13H15NO3,,,,,,WTRWSSDZHQOPJI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.374,256-529-4,50306-01-9,"(±)-4-amino-a-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol","1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol",CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",C12H18Cl2N2O,,,,,,STJMRWALKKWQGH-UHFFFAOYSA-N,Positive,AU109901;EQ359201|EQ359202|EQ359203|EQ359204|EQ359205|EQ359206|EQ359207|EQ359208|EQ359209,[M+H]+;[M+H]+,CID20.8-31.2;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,203.0147:205.0116:132.0684;259.0761:203.0136:277.0867|203.0135:259.0762:57.0698|203.0136:132.0681:168.0448|132.0681:168.0448:167.037|132.0681:168.0447:167.037|132.0682:168.0448:140.0261|140.0261:132.0682:104.0494|104.0494:140.0261:131.0604|104.0494:95.0491:89.0386,Athens_Univ;Eawag,,,,,
100.054.001,259-421-5,54979-21-4,Dichloro(3-chloropropyl)propylsilane,dichloro(3-chloropropyl)propylsilane,CCC[Si](Cl)(Cl)CCCCl,CCC[Si](Cl)(Cl)CCCCl,"InChI=1/C6H13Cl3Si/c1-2-5-10(8,9)6-3-4-7/h2-6H2,1H3",C6H13Cl3Si,,,,,,FWXOHKFZYQJOHA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.005,259-425-7,54983-89-0,Barium dilactate,barium bis(2-hydroxypropanoate),[Ba+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Ba+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/2C3H6O3.Ba/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",C6H10BaO6,,,,,,HLKMEIITONDPGG-UHFFFAOYSA-L,,,,,,,,,,,
100.054.008,259-428-3,54999-00-7,"[(2-hydroxyethyl)imino]di-2,1-ethanediyl dioleate","[(2-hydroxyethyl)imino]diethane-2,1-diyl bisoctadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C42H79NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44H,3-16,21-40H2,1-2H3",C42H79NO5,,,,,,LKJAFAGFOFGLLS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.010,259-430-4,55011-64-8,(2-hydroxyethyl)ammonium sulphamate,2-hydroxyethanaminium sulfamate,NS(=O)(=O)[O-].[NH3+]CCO,NS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C2H7NO.H3NO3S/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;(H3,1,2,3,4)",C2H7NO.H3NO3S,,,,,,GUJCMNCMYBLDJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.014,259-435-1,55021-63-1,"1-acetyl-5-[2-(methylthio)ethyl]-3-phenylimidazolidine-2,4-dione","1-acetyl-5-[2-(methylsulfanyl)ethyl]-3-phenylimidazolidine-2,4-dione",CSCCC1N(C(=O)C)C(=O)N(C1=O)c2ccccc2,CSCCC1N(C(=O)C)C(=O)N(C1=O)c2ccccc2,"InChI=1/C14H16N2O3S/c1-10(17)15-12(8-9-20-2)13(18)16(14(15)19)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3",C14H16N2O3S,,,,,,MRYWQGMOWDVQGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.035,259-458-7,55062-09-4,2-ethylhexyl bis(nonylphenyl) phosphite,2-ethylhexyl bis(2-nonylphenyl) phosphite,CCCCCCCCCc1ccccc1OP(OCC(CC)CCCC)Oc2ccccc2CCCCCCCCC,CCCCCCCCCc1ccccc1OP(OCC(CC)CCCC)Oc2ccccc2CCCCCCCCC,"InChI=1/C38H63O3P/c1-5-9-12-14-16-18-20-27-35-29-22-24-31-37(35)40-42(39-33-34(8-4)26-11-7-3)41-38-32-25-23-30-36(38)28-21-19-17-15-13-10-6-2/h22-25,29-32,34H,5-21,26-28,33H2,1-4H3",C38H63O3P,,,,,,XALCXBAQUDCXGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.036,259-459-2,55066-43-8,"3,7-dimethyl-2,6-octadienyl 3-methylcrotonate","3,7-dimethylocta-2,6-dien-1-yl 3-methylbut-2-enoate",C/C(C)=C\\C(=O)OCC=C(C)CC\\C=C(/C)C,C/C(C)=C\C(=O)OCC=C(C)CC\C=C(/C)C,"InChI=1/C15H24O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,11H,6,8,10H2,1-5H3",C15H24O2,,,,,,SSTYFRKINRGOEX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.709,257-999-3,52549-57-2,N-[5-[bis(2-methoxyethyl)amino]-2-[(2-cyano-4-nitrophenyl)azo]phenyl]acetamide,N-{5-[bis(2-methoxyethyl)amino]-2-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}acetamide,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CCOC)CCOC)c(C#N)c2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CCOC)CCOC)c(C#N)c2,"InChI=1/C21H24N6O5/c1-15(28)23-21-13-17(26(8-10-31-2)9-11-32-3)4-7-20(21)25-24-19-6-5-18(27(29)30)12-16(19)14-22/h4-7,12-13H,8-11H2,1-3H3,(H,23,28)",C21H24N6O5,,,,,,DMMDCPMHDXAIRV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.716,258-007-1,52558-73-3,N-(1-oxotetradecyl)sarcosine,N-methyl-N-tetradecanoylglycine,CCCCCCCCCCCCCC(=O)N(C)CC(=O)O,CCCCCCCCCCCCCC(=O)N(C)CC(=O)O,"InChI=1/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21/h3-15H2,1-2H3,(H,20,21)",C17H33NO3,,,,,,NGOZDSMNMIRDFP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.720,258-011-3,52567-96-1,"3,6,7-trimethyloct-6-en-1-yn-3-ol","3,6,7-trimethyloct-6-en-1-yn-3-ol",CC(=C(C)CCC(C)(O)C#C)C,CC(=C(C)CCC(C)(O)C#C)C,"InChI=1/C11H18O/c1-6-11(5,12)8-7-10(4)9(2)3/h1,12H,7-8H2,2-5H3",C11H18O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10291,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.720,UOQFIGQMCWDDKX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.725,258-017-6,52578-55-9,"5,5'-sulphinylbisresorcinol","5,5'-sulfinyldibenzene-1,3-diol",Oc1cc(O)cc(c1)S(=O)c2cc(O)cc(O)c2,Oc1cc(O)cc(c1)S(=O)c2cc(O)cc(O)c2,"InChI=1/C12H10O5S/c13-7-1-8(14)4-11(3-7)18(17)12-5-9(15)2-10(16)6-12/h1-6,13-16H",C12H10O5S,,,,,,QGUGHEPTGGWCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.728,258-020-2,52583-54-7,N-[2-[(2-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide,N-{2-[(2-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)c(C#N)c2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)c(C#N)c2,"InChI=1/C19H20N6O3/c1-4-24(5-2)15-6-9-18(19(11-15)21-13(3)26)23-22-17-8-7-16(25(27)28)10-14(17)12-20/h6-11H,4-5H2,1-3H3,(H,21,26)",C19H20N6O3,,,,,,UZZRIEWLRMPYRP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.745,258-039-6,52605-96-6,2-chloro-3-methoxypyridine,2-chloro-3-methoxypyridine,COc1cccnc1Cl,COc1cccnc1Cl,"InChI=1/C6H6ClNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3",C6H6ClNO,,,,,,CCVNZKGBNUPYPG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.725,278-920-9,78480-15-6,Decyltrimethylammonium isopropyl sulphate,"N,N,N-trimethyldecan-1-aminium isopropyl sulfate",CCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],CCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],"InChI=1/C13H30N.C3H8O4S/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;1-3(2)7-8(4,5)6/h5-13H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;/p-1",C13H30N.C3H7O4S,,,,,,FVNASDSQHZCOCN-UHFFFAOYSA-M,,,,,,,,,,,
100.071.729,278-925-6,78480-19-0,Trimethyloctylammonium isopropyl sulphate,"N,N,N-trimethyloctan-1-aminium isopropyl sulfate",CCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],CCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],"InChI=1/C11H26N.C3H8O4S/c1-5-6-7-8-9-10-11-12(2,3)4;1-3(2)7-8(4,5)6/h5-11H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;/p-1",C11H26N.C3H7O4S,,,,,,MECHTLVCMVFLSY-UHFFFAOYSA-M,,,,,,,,,,,
100.071.737,278-934-5,78521-39-8,6-[[(4-methylphenyl)sulphonyl]amino]hexanoic acid,6-{[(4-methylphenyl)sulfonyl]amino}hexanoic acid,Cc1ccc(cc1)S(=O)(=O)NCCCCCC(=O)O,Cc1ccc(cc1)S(=O)(=O)NCCCCCC(=O)O,"InChI=1/C13H19NO4S/c1-11-6-8-12(9-7-11)19(17,18)14-10-4-2-3-5-13(15)16/h6-9,14H,2-5,10H2,1H3,(H,15,16)",C13H19NO4S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5536,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.737,GLKZGJGPYOFPKV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.739,278-936-6,78527-62-5,"3-[2-[2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthyl]amino]ethoxy]ethoxy]propiononitrile","3-{2-[2-({4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-1-naphthyl}amino)ethoxy]ethoxy}propanenitrile",Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCOCCOCCC#N)c1ccccc12)[N+]([O-])=O,Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCOCCOCCC#N)c1ccccc12)[N+]([O-])=O,"InChI=1/C23H21ClN6O6/c24-19-14-16(29(31)32)15-22(30(33)34)23(19)28-27-21-7-6-20(17-4-1-2-5-18(17)21)26-9-11-36-13-12-35-10-3-8-25/h1-2,4-7,14-15,26H,3,9-13H2",C23H21ClN6O6,,,,,,GQAXXEGVBFWQPK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.748,278-946-0,78548-53-5,"Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate",CCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3",C13H22O2,,,,,,FAFMZORPAAGQFV-OPQQBVKSSA-N,,,,,,,,,,,
100.073.376,280-736-9,83763-50-2,4-[(4-aminophenyl)amino]-N-(methylsulphonyl)-3-nitrobenzenesulphonamide,4-[(4-aminophenyl)amino]-N-(methylsulfonyl)-3-nitrobenzenesulfonamide,CS(=O)(=O)NS(=O)(=O)c1ccc(Nc2ccc(N)cc2)c(c1)[N+](=O)[O-],CS(=O)(=O)NS(=O)(=O)c1ccc(Nc2ccc(N)cc2)c(c1)[N+](=O)[O-],"InChI=1/C13H14N4O6S2/c1-24(20,21)16-25(22,23)11-6-7-12(13(8-11)17(18)19)15-10-4-2-9(14)3-5-10/h2-8,15-16H,14H2,1H3",C13H14N4O6S2,,,,,,WRQIIXLYPOTIEK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.378,280-739-5,83763-52-4,"3-amino-N,N-diethyl-4-methoxybenzenesulphonamide monohydrochloride","3-amino-N,N-diethyl-4-methoxybenzenesulfonamide hydrochloride",Cl.CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1,Cl.CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1,"InChI=1/C11H18N2O3S.ClH/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9;/h6-8H,4-5,12H2,1-3H3;1H",C11H18N2O3S.ClH,,,,,,SKDMARQFDVQTJG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.380,280-741-6,83763-54-6,"Sodium 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]azo]benzene-1,3-disulphonate","disodium 4-({2-(carbamoylamino)-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl}diazenyl)benzene-1,3-disulfonate",[Na+].[Na+].Clc3c(Nc2cc(NC(N)=O)c(N=Nc1ccc(cc1S([O-])(=O)=O)S([O-])(=O)=O)cc2)nc(F)nc3F,[Na+].[Na+].Clc3c(Nc2cc(NC(N)=O)c(N=Nc1ccc(cc1S([O-])(=O)=O)S([O-])(=O)=O)cc2)nc(F)nc3F,"InChI=1/C17H12ClF2N7O7S2.2Na/c18-13-14(19)24-16(20)25-15(13)22-7-1-3-9(11(5-7)23-17(21)28)26-27-10-4-2-8(35(29,30)31)6-12(10)36(32,33)34;;/h1-6H,(H3,21,23,28)(H,22,24,25)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C17H12ClF2N7O7S2.xNa,,,,,,NKHYBWNQSRXAQY-UHFFFAOYSA-L,,,,,,,,,,,
100.074.650,282-140-4,84100-60-7,4-[[4-(diethylamino)phenyl]amino]butane-1-sulphonic acid,4-{[4-(diethylamino)phenyl]amino}butane-1-sulfonic acid,CCN(CC)c1ccc(NCCCCS(=O)(=O)O)cc1,CCN(CC)c1ccc(NCCCCS(=O)(=O)O)cc1,"InChI=1/C14H24N2O3S/c1-3-16(4-2)14-9-7-13(8-10-14)15-11-5-6-12-20(17,18)19/h7-10,15H,3-6,11-12H2,1-2H3,(H,17,18,19)",C14H24N2O3S,,,,,,ZRUAQCLXACBIRB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.652,282-143-0,84100-62-9,"N-[4-(N-hexadecyl-N-methylsulphamoyl)-2,5-dimethoxyphenyl]-3-(p-methoxyphenyl)-3-oxopropionamide","N-{4-[hexadecyl(methyl)sulfamoyl]-2,5-dimethoxyphenyl}-3-(4-methoxyphenyl)-3-oxopropanamide",CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OC)c(NC(=O)CC(=O)c2ccc(OC)cc2)cc1OC,CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OC)c(NC(=O)CC(=O)c2ccc(OC)cc2)cc1OC,"InChI=1/C35H54N2O7S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-37(2)45(40,41)34-27-32(43-4)30(25-33(34)44-5)36-35(39)26-31(38)28-20-22-29(42-3)23-21-28/h20-23,25,27H,6-19,24,26H2,1-5H3,(H,36,39)",C35H54N2O7S,,,,,,JWXDECGPVODUNI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.662,282-154-0,84100-74-3,"Disodium 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(2-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-4-methyl-6-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C26H18ClF2N5O8S2.2Na/c1-10-6-11(9-31-25-19(27)24(28)33-26(29)34-25)21(16(7-10)44(40,41)42)32-14-8-15(43(37,38)39)20(30)18-17(14)22(35)12-4-2-3-5-13(12)23(18)36;;/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C26H18ClF2N5O8S2.2Na,,,,,,BZDOIRTYNHIAPB-UHFFFAOYSA-L,,,,,,,,,,,
100.049.558,254-533-0,39590-62-0,3-chloro-N-(6-chloro-o-tolyl)propionamide,3-chloro-N-(2-chloro-6-methylphenyl)propanamide,Cc1cccc(Cl)c1NC(=O)CCCl,Cc1cccc(Cl)c1NC(=O)CCCl,"InChI=1/C10H11Cl2NO/c1-7-3-2-4-8(12)10(7)13-9(14)5-6-11/h2-4H,5-6H2,1H3,(H,13,14)",C10H11Cl2NO,,,,,,DYCMPCDPPHAREU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.559,254-534-6,39593-08-3,1-(p-tolyl)piperazine,1-(4-methylphenyl)piperazine,Cc1ccc(cc1)N2CCNCC2,Cc1ccc(cc1)N2CCNCC2,"InChI=1/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",C11H16N2,,,,,,ONEYFZXGNFNRJH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.560,254-535-1,39594-44-0,"1,1'-(5-methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione","1,1'-(5-methyl-1,3-phenylene)bis(1H-pyrrole-2,5-dione)",Cc1cc(cc(c1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,Cc1cc(cc(c1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,"InChI=1/C15H10N2O4/c1-9-6-10(16-12(18)2-3-13(16)19)8-11(7-9)17-14(20)4-5-15(17)21/h2-8H,1H3",C15H10N2O4,,,,,,VZAIEIIAJMQYPB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.566,254-541-4,39615-79-7,2-cyano-N-methyl-N-[(methylamino)carbonyl]acetamide,2-cyano-N-methyl-N-(methylcarbamoyl)acetamide,CNC(=O)N(C)C(=O)CC#N,CNC(=O)N(C)C(=O)CC#N,"InChI=1/C6H9N3O2/c1-8-6(11)9(2)5(10)3-4-7/h3H2,1-2H3,(H,8,11)",C6H9N3O2,,,,,,DBEIAMRYPAJZHO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.567,254-543-5,39616-92-7,Sodium 3-phenylsulphonylbenzenesulphonate,sodium 3-(phenylsulfonyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)c2ccccc2,[Na+].[O-]S(=O)(=O)c1cccc(c1)S(=O)(=O)c2ccccc2,"InChI=1/C12H10O5S2.Na/c13-18(14,10-5-2-1-3-6-10)11-7-4-8-12(9-11)19(15,16)17;/h1-9H,(H,15,16,17);/q;+1/p-1",C12H10O5S2.Na,,,,,,AOHSPBYZNKDLIV-UHFFFAOYSA-M,,,,,,,,,,,
100.054.000,259-419-4,54978-55-1,"Phenyl 1,4-dihydroxy-2-naphthoate","phenyl 1,4-dihydroxy-2-naphthoate",Oc1cc(C(=O)Oc2ccccc2)c(O)c3ccccc13,Oc1cc(C(=O)Oc2ccccc2)c(O)c3ccccc13,"InChI=1/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H",C17H12O4,,,,,,XDUXGEPGVNWEBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.002,259-422-0,54982-76-2,4-ethoxy-4-(isopropyl)-1-methylcyclohexene,4-ethoxy-4-isopropyl-1-methylcyclohexene,CCOC1(CCC(=CC1)C)C(C)C,CCOC1(CCC(=CC1)C)C(C)C,"InChI=1/C12H22O/c1-5-13-12(10(2)3)8-6-11(4)7-9-12/h6,10H,5,7-9H2,1-4H3",C12H22O,,,,,,RRBKCTRIOFQEIN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.004,259-424-1,54983-54-9,"Sodium 4-chloro-3,5-dimethylphenolate","sodium 4-chloro-3,5-dimethylphenolate",[Na+].Cc1cc([O-])cc(C)c1Cl,[Na+].Cc1cc([O-])cc(C)c1Cl,"InChI=1/C8H9ClO.Na/c1-5-3-7(10)4-6(2)8(5)9;/h3-4,10H,1-2H3;/q;+1/p-1",C8H9ClO.Na,,,,,,IUJGTVGVLAYVKG-UHFFFAOYSA-M,,,,,,,,,,,
100.054.009,259-429-9,55011-26-2,"2,2'-oxybisbutan-1-ol","2,2'-oxydibutan-1-ol",CCC(CO)OC(CC)CO,CCC(CO)OC(CC)CO,"InChI=1/C8H18O3/c1-3-7(5-9)11-8(4-2)6-10/h7-10H,3-6H2,1-2H3",C8H18O3,,,,,,YLGKTKNKMPOCBY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.011,259-432-5,55011-89-7,"Di(methyl)[1-methyl-3,3-diphenylallyl]ammonium chloride","N,N-dimethyl-4,4-diphenylbut-3-en-2-aminium chloride",[Cl-].CC(C=C(c1ccccc1)c2ccccc2)[NH+](C)C,[Cl-].CC(C=C(c1ccccc1)c2ccccc2)[NH+](C)C,"InChI=1/C18H21N.ClH/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-15H,1-3H3;1H",C18H21N.ClH,,,,,,ZVTAYVQUGPGRAF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.013,259-434-6,55017-92-0,Methyl 3-[o-(hexadecyloxy)phenyl]-3-oxopropionate,methyl 3-[2-(hexadecyloxy)phenyl]-3-oxopropanoate,CCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)OC,CCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)OC,"InChI=1/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25-20-17-16-19-23(25)24(27)22-26(28)29-2/h16-17,19-20H,3-15,18,21-22H2,1-2H3",C26H42O4,,,,,,IPJRKWPQYPZWAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.016,259-437-2,55025-91-7,1-methyl-2-(octadecyloxy)-2-oxoethyl lactate,1-methyl-2-(octadecyloxy)-2-oxoethyl 2-hydroxypropanoate,CCCCCCCCCCCCCCCCCCOC(=O)C(C)OC(=O)C(C)O,CCCCCCCCCCCCCCCCCCOC(=O)C(C)OC(=O)C(C)O,"InChI=1/C24H46O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-24(27)22(3)29-23(26)21(2)25/h21-22,25H,4-20H2,1-3H3",C24H46O5,,,,,,FWTCVFCYYLOCAU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.019,259-440-9,55034-12-3,"1-bromo-2,5-dimethoxy-3-nitrobenzene","1-bromo-2,5-dimethoxy-3-nitrobenzene",COc1cc(Br)c(OC)c(c1)[N+](=O)[O-],COc1cc(Br)c(OC)c(c1)[N+](=O)[O-],"InChI=1/C8H8BrNO4/c1-13-5-3-6(9)8(14-2)7(4-5)10(11)12/h3-4H,1-2H3",C8H8BrNO4,,,,,,QSEWGOVLIQAGQY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.021,259-443-5,55034-69-0,"(2-chloro-4,6-dimethylphenyl)hydrazine","(2-chloro-4,6-dimethylphenyl)hydrazine",Cc1cc(C)c(NN)c(Cl)c1,Cc1cc(C)c(NN)c(Cl)c1,"InChI=1/C8H11ClN2/c1-5-3-6(2)8(11-10)7(9)4-5/h3-4,11H,10H2,1-2H3",C8H11ClN2,,,,,,UVEBHBUGJCCFRD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.022,259-444-0,55034-80-5,"8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo[2,3-b:2',3'-m]triphenodioxazine","8,18-dichloro-5,15-diethyl-5,15-dihydrocarbazolo[2',3':5,6][1,4]oxazino[2,3-b]indolo[3,2-i]phenoxazine",CCn1c2ccccc2c3cc4OC5=C(Cl)C6=Nc7cc8c(cc7OC6=C(Cl)C5=Nc4cc13)c9ccccc9n8CC,CCn1c2ccccc2c3cc4OC5=C(Cl)C6=Nc7cc8c(cc7OC6=C(Cl)C5=Nc4cc13)c9ccccc9n8CC,"InChI=1/C34H22Cl2N4O2/c1-3-39-23-11-7-5-9-17(23)19-13-27-21(15-25(19)39)37-31-29(35)34-32(30(36)33(31)41-27)38-22-16-26-20(14-28(22)42-34)18-10-6-8-12-24(18)40(26)4-2/h5-16H,3-4H2,1-2H3",C34H22Cl2N4O2,,,,,,DZJYRRXMXDRAFK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.037,257-260-5,51541-51-6,Bis(2-hydroxyethyl)ammonium hexadecyl sulphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium hexadecyl sulfate,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,"InChI=1/C16H34O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;6-3-1-5-2-4-7/h2-16H2,1H3,(H,17,18,19);5-7H,1-4H2",C16H34O4S.C4H11NO2,,,,,,PJDFMXWUFDUYTG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.603,258-982-3,54118-66-0,"1-(4-hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidinium dihydrogen phosphate","1-(4-hydroxy-4,4-diphenylbut-2-yn-1-yl)pyrrolidinium dihydrogen phosphate",OC(C#CC[NH+]1CCCC1)(c2ccccc2)c3ccccc3.[O-]P(=O)([O-])[O-],OC(C#CC[NH+]1CCCC1)(c2ccccc2)c3ccccc3.[O-]P(=O)([O-])[O-],"InChI=1/C20H21NO.H3O4P/c22-20(18-10-3-1-4-11-18,19-12-5-2-6-13-19)14-9-17-21-15-7-8-16-21;1-5(2,3)4/h1-6,10-13,22H,7-8,15-17H2;(H3,1,2,3,4)/p-2",C20H21NO.H3O4P,,,,,,KJRDQHIYWCTNTN-UHFFFAOYSA-L,,,,,,,,,,,
100.053.614,258-994-9,54140-20-4,Anhydro-D-glucitol tripalmitate,"1,4-anhydro-2,3,5-tri-O-palmitoylhexitol",CCCCCCCCCCCCCCCC(=O)OC(CO)C1OCC(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC(CO)C1OCC(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C54H102O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50(56)60-48(46-55)53-54(62-52(58)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)49(47-59-53)61-51(57)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48-49,53-55H,4-47H2,1-3H3",C54H102O8,,,,,,NVANJYGRGNEULT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.000,253-919-6,38416-13-6,Disodium hexaiodoplatinate,disodium hexaiodoplatinate(2-),[Na+].[Na+].I[Pt-2](I)(I)(I)(I)I,[Na+].[Na+].I[Pt-2](I)(I)(I)(I)I,"InChI=1/6HI.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rI6Pt.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",I6Pt.2Na,,,,,,CAUZYARWRVBUCM-UHFFFAOYSA-H,,,,,,,,,,,
100.049.001,253-920-1,38417-97-9,"2,4,6-trinitro-N-(4-nitrophenyl)aniline","2,4,6-trinitro-N-(4-nitrophenyl)aniline",[O-][N+](=O)c1ccc(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])cc1,[O-][N+](=O)c1ccc(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])cc1,"InChI=1/C12H7N5O8/c18-14(19)8-3-1-7(2-4-8)13-12-10(16(22)23)5-9(15(20)21)6-11(12)17(24)25/h1-6,13H",C12H7N5O8,,,,,,XPASUWOQXAHESL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.010,253-930-6,38436-16-7,"Dichloromethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane","(dichloromethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH2]C(Cl)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH2]C(Cl)Cl,"InChI=1/C7H7Cl2F9Si/c8-3(9)19-2-1-4(10,11)5(12,13)6(14,15)7(16,17)18/h3H,1-2,19H2",C7H7Cl2F9Si,,,,,,GNWPMNDXBHUSCC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.014,253-934-8,38444-29-0,4-heptylphenyl 4-[(1-oxohexyl)oxy]benzoate,4-heptylphenyl 4-(hexanoyloxy)benzoate,CCCCCCCc1ccc(OC(=O)c2ccc(OC(=O)CCCCC)cc2)cc1,CCCCCCCc1ccc(OC(=O)c2ccc(OC(=O)CCCCC)cc2)cc1,"InChI=1/C26H34O4/c1-3-5-7-8-10-11-21-13-17-24(18-14-21)30-26(28)22-15-19-23(20-16-22)29-25(27)12-9-6-4-2/h13-20H,3-12H2,1-2H3",C26H34O4,,,,,,ZFRGBMGYFWSSJR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.018,253-939-5,38449-51-3,"3-tert-butyl-1H-1,2,4-triazole-5-thiol","5-tert-butyl-4H-1,2,4-triazole-3-thiol",CC(C)(C)c1nnc(S)[nH]1,CC(C)(C)c1nnc(S)[nH]1,"InChI=1/C6H11N3S/c1-6(2,3)4-7-5(10)9-8-4/h1-3H3,(H2,7,8,9,10)",C6H11N3S,,,,,,HKLNUWXQCMKCNX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.883,258-190-8,52793-97-2,"Methyl N,N,N-trimethyl-4-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)methyl]anilinium sulphate","N,N,N-trimethyl-4-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)methyl]anilinium methyl sulfate",CC3(C)C2CCC3(C)C(=O)C2=Cc1ccc(cc1)[N+](C)(C)C.[O-]S(=O)(=O)OC,CC3(C)C2CCC3(C)C(=O)C2=Cc1ccc(cc1)[N+](C)(C)C.[O-]S(=O)(=O)OC,"InChI=1/C20H28NO.CH4O4S/c1-19(2)17-11-12-20(19,3)18(22)16(17)13-14-7-9-15(10-8-14)21(4,5)6;1-5-6(2,3)4/h7-10,13,17H,11-12H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1",C20H28NO.CH3O4S,,,,,,ZANFQAKBYANGPR-UHFFFAOYSA-M,,,,,,,,,,,
100.052.899,258-207-9,52829-07-9,"Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate","bis(2,2,6,6-tetramethylpiperidin-4-yl) sebacate",CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2,CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2,"InChI=1/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3",C28H52N2O4,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14267,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.899,XITRBUPOXXBIJN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.901,258-210-5,52830-65-6,2-[4-(diethylamino)-2-methylbenzoyl]benzoic acid,2-[4-(diethylamino)-2-methylbenzoyl]benzoic acid,CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(C)c1,CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(C)c1,"InChI=1/C19H21NO3/c1-4-20(5-2)14-10-11-15(13(3)12-14)18(21)16-8-6-7-9-17(16)19(22)23/h6-12H,4-5H2,1-3H3,(H,22,23)",C19H21NO3,,,,,,IZHHSJHVOYVIRH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.904,258-213-1,52830-80-5,"3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-o-tolyl]phthalide","3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1(3H)-one",CCN(CC)c1ccc(c(C)c1)C2(OC(=O)c3ccccc23)c4ccc(cc4N(C)C)N(C)C,CCN(CC)c1ccc(c(C)c1)C2(OC(=O)c3ccccc23)c4ccc(cc4N(C)C)N(C)C,"InChI=1/C29H35N3O2/c1-8-32(9-2)22-15-16-24(20(3)18-22)29(25-13-11-10-12-23(25)28(33)34-29)26-17-14-21(30(4)5)19-27(26)31(6)7/h10-19H,8-9H2,1-7H3",C29H35N3O2,,,,,,YEWGFFJIKYOBSD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.906,254-915-7,40427-66-5,4-chloro-2-(phenylthio)benzothiazole,"4-chloro-2-(phenylsulfanyl)-1,3-benzothiazole",Clc1cccc2sc(Sc3ccccc3)nc12,Clc1cccc2sc(Sc3ccccc3)nc12,InChI=1/C13H8ClNS2/c14-10-7-4-8-11-12(10)15-13(17-11)16-9-5-2-1-3-6-9/h1-8H,C13H8ClNS2,,,,,,CXNIKATUXOZKJB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.909,254-918-3,40434-87-5,2-hydroxy-2-phenylethyl [R-(-)]-p-toluenesulphonate,2-hydroxy-2-phenylethyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OCC(O)c2ccccc2,Cc1ccc(cc1)S(=O)(=O)OCC(O)c2ccccc2,"InChI=1/C15H16O4S/c1-12-7-9-14(10-8-12)20(17,18)19-11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3",C15H16O4S,,,,,,IOTJIFRGXYQHAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.915,254-925-1,40454-21-5,N-amidino-L-cysteine,N-carbamimidoyl-L-cysteine,NC(=N)N[C@@H](CS)C(=O)O,NC(=N)N[C@@H](CS)C(=O)O,"InChI=1/C4H9N3O2S/c5-4(6)7-2(1-10)3(8)9/h2,10H,1H2,(H,8,9)(H4,5,6,7)",C4H9N3O2S,,,,,,XWRZKLKALVJDDS-REOHCLBHSA-N,,,,,,,,,,,
100.049.918,254-928-8,40456-31-3,"3,3'-[2-butyne-1,4-diylbis(oxy)]bis[2-hydroxypropanesulphonic] acid","3,3'-[but-2-yne-1,4-diylbis(oxy)]bis(2-hydroxypropane-1-sulfonic acid)",OC(COCC#CCOCC(O)CS(=O)(=O)O)CS(=O)(=O)O,OC(COCC#CCOCC(O)CS(=O)(=O)O)CS(=O)(=O)O,"InChI=1/C10H18O10S2/c11-9(7-21(13,14)15)5-19-3-1-2-4-20-6-10(12)8-22(16,17)18/h9-12H,3-8H2,(H,13,14,15)(H,16,17,18)",C10H18O10S2,,,,,,FMVJTYLDBPDVLA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.924,254-935-6,40470-68-6,"4,4'-bis(2-methoxystyryl)-1,1'-biphenyl","4,4'-bis[2-(2-methoxyphenyl)vinyl]biphenyl",COc1ccccc1\\C=C\\c2ccc(cc2)c3ccc(\\C=C\\c4ccccc4OC)cc3,COc1ccccc1\C=C\c2ccc(cc2)c3ccc(\C=C\c4ccccc4OC)cc3,"InChI=1/C30H26O2/c1-31-29-9-5-3-7-27(29)21-15-23-11-17-25(18-12-23)26-19-13-24(14-20-26)16-22-28-8-4-6-10-30(28)32-2/h3-22H,1-2H3",C30H26O2,,,,,,HZAWHDJKNZWAAR-YHARCJFQSA-N,,,,,,,,,,,
100.049.926,254-937-7,40478-82-8,2-methoxy-9H-thioxanthen-9-one,2-methoxy-9H-thioxanthen-9-one,COc1ccc2Sc3ccccc3C(=O)c2c1,COc1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C14H10O2S/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3",C14H10O2S,,,,,,NOYRFDHEJYWIHG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.930,254-941-9,40497-30-1,"2-methyl-1H,5H-pyrimidine-4,5-dione","2-methyl-1,6-dihydropyrimidine-4,5-dione",CC1=NC(=O)C(=O)CN1,CC1=NC(=O)C(=O)CN1,"InChI=1/C5H6N2O2/c1-3-6-2-4(8)5(9)7-3/h2H2,1H3,(H,6,7,9)",C5H6N2O2,,,,,,DLHMWLGYTLBHJO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.932,254-944-5,40499-83-0,Pyrrolidin-3-ol,pyrrolidin-3-ol,OC1CCNC1,OC1CCNC1,"InChI=1/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2",C4H9NO,,,,,,JHHZLHWJQPUNKB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.933,254-945-0,40507-80-0,"N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine monohydrochloride","N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride",Cl.C1Cc2cccc(NC3=NCCN3)c2C1,Cl.C1Cc2cccc(NC3=NCCN3)c2C1,"InChI=1/C12H15N3.ClH/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12;/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15);1H",C12H15N3.ClH,,,,,,GZVYIVIJAOMGJT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.936,254-948-7,40509-16-8,"3,3'-iminobispropane-1,2-diol","3,3'-iminodipropane-1,2-diol",OCC(O)CNCC(O)CO,OCC(O)CNCC(O)CO,"InChI=1/C6H15NO4/c8-3-5(10)1-7-2-6(11)4-9/h5-11H,1-4H2",C6H15NO4,,,,,,SAMGBMSEBPZABZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.938,254-950-8,40516-46-9,Diethyl (ethoxymethyl)malonate,diethyl (ethoxymethyl)malonate,CCOCC(C(=O)OCC)C(=O)OCC,CCOCC(C(=O)OCC)C(=O)OCC,"InChI=1/C10H18O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h8H,4-7H2,1-3H3",C10H18O5,,,,,,ZEMAAYXNKBMRGV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.572,254-548-2,39633-82-4,"[1,4'-bipiperidine]-4'-carboxamide","1,4'-bipiperidine-4'-carboxamide",NC(=O)C1(CCNCC1)N2CCCCC2,NC(=O)C1(CCNCC1)N2CCCCC2,"InChI=1/C11H21N3O/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15)",C11H21N3O,,,,,,AUXZEVXPRCVGAO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.574,254-550-3,39635-11-5,"3,4-dihydroxybenzohydrazide","3,4-dihydroxybenzohydrazide",NNC(=O)c1ccc(O)c(O)c1,NNC(=O)c1ccc(O)c(O)c1,"InChI=1/C7H8N2O3/c8-9-7(12)4-1-2-5(10)6(11)3-4/h1-3,10-11H,8H2,(H,9,12)",C7H8N2O3,,,,,,WGXWEXNJRZMIPT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.577,254-554-5,39638-32-9,"2,2'-oxybis[2-chloropropane]","2,2'-oxybis(2-chloropropane)",CC(C)(Cl)OC(C)(C)Cl,CC(C)(Cl)OC(C)(C)Cl,"InChI=1/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3",C6H12Cl2O,,,,,,BULHJTXRZFEUDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.579,254-556-6,39640-52-3,Butyl 6-methylpyridine-2-carboxylate,butyl 6-methylpyridine-2-carboxylate,CCCCOC(=O)c1cccc(C)n1,CCCCOC(=O)c1cccc(C)n1,"InChI=1/C11H15NO2/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10/h5-7H,3-4,8H2,1-2H3",C11H15NO2,,,,,,JHBFXWFPYWWMKA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.581,254-558-7,39648-47-0,"(-)-2-(2,2-dicyclohexylethyl)piperidine","2-(2,2-dicyclohexylethyl)piperidine",C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,"InChI=1/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2",C19H35N,,,,,,CYXKNKQEMFBLER-UHFFFAOYSA-N,,,,,,,,,,,
100.049.582,254-559-2,39648-48-1,"(+)-2-(2,2-dicyclohexylethyl)piperidine","2-(2,2-dicyclohexylethyl)piperidine",C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,"InChI=1/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2",C19H35N,,,,,,CYXKNKQEMFBLER-UHFFFAOYSA-N,,,,,,,,,,,
100.074.664,282-156-1,84100-76-5,"Disodium 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-{[2-({[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino}methyl)-4-methyl-5-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].COCCOc1nc(Cl)nc(NCc2cc(C)c(cc2Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-])n1,[Na+].[Na+].COCCOc1nc(Cl)nc(NCc2cc(C)c(cc2Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-])n1,"InChI=1/C28H25ClN6O10S2.2Na/c1-13-9-14(12-31-27-33-26(29)34-28(35-27)45-8-7-44-2)17(10-19(13)46(38,39)40)32-18-11-20(47(41,42)43)23(30)22-21(18)24(36)15-5-3-4-6-16(15)25(22)37;;/h3-6,9-11,32H,7-8,12,30H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,31,33,34,35);;/q;2*+1/p-2",C28H25ClN6O10S2.2Na,,,,,,LFSOWKOOFMYNOH-UHFFFAOYSA-L,,,,,,,,,,,
100.074.671,282-164-5,84100-85-6,"Sodium 2,3,3-trimethyl-3H-indole-5-carboxylate","sodium 2,3,3-trimethyl-3H-indole-5-carboxylate",[Na+].CC1=Nc2ccc(cc2C1(C)C)C(=O)[O-],[Na+].CC1=Nc2ccc(cc2C1(C)C)C(=O)[O-],"InChI=1/C12H13NO2.Na/c1-7-12(2,3)9-6-8(11(14)15)4-5-10(9)13-7;/h4-6H,1-3H3,(H,14,15);/q;+1/p-1",C12H13NO2.Na,,,,,,QUBPVVRIJHDUSZ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.674,282-167-1,84100-88-9,"1,4-bis[2-(4-chloro-2-methoxyphenyl)vinyl]benzene","1,1'-(1,4-phenylenediethene-2,1-diyl)bis(4-chloro-2-methoxybenzene)",COc1cc(Cl)ccc1\\C=C\\c2ccc(\\C=C\\c3ccc(Cl)cc3OC)cc2,COc1cc(Cl)ccc1\C=C\c2ccc(\C=C\c3ccc(Cl)cc3OC)cc2,"InChI=1/C24H20Cl2O2/c1-27-23-15-21(25)13-11-19(23)9-7-17-3-5-18(6-4-17)8-10-20-12-14-22(26)16-24(20)28-2/h3-16H,1-2H3",C24H20Cl2O2,,,,,,XNCPIXSHYKUKIJ-FIFLTTCUSA-N,,,,,,,,,,,
100.074.830,282-340-1,84176-73-8,"4-(4-chlorophenyl)-N,N-dimethyl-1-(p-tolylsulphonyl)piperidine-4-carboxamide","4-(4-chlorophenyl)-N,N-dimethyl-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide",CN(C)C(=O)C1(CCN(CC1)S(=O)(=O)c2ccc(C)cc2)c3ccc(Cl)cc3,CN(C)C(=O)C1(CCN(CC1)S(=O)(=O)c2ccc(C)cc2)c3ccc(Cl)cc3,"InChI=1/C21H25ClN2O3S/c1-16-4-10-19(11-5-16)28(26,27)24-14-12-21(13-15-24,20(25)23(2)3)17-6-8-18(22)9-7-17/h4-11H,12-15H2,1-3H3",C21H25ClN2O3S,,,,,,IKVLHXOAZPIFCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.832,282-342-2,84176-75-0,1-[1-(phenylmethyl)-4-piperidinyl]-1H-benzimidazole,1-(1-benzylpiperidin-4-yl)-1H-benzimidazole,C(N1CCC(CC1)n2cnc3ccccc23)c4ccccc4,C(N1CCC(CC1)n2cnc3ccccc23)c4ccccc4,"InChI=1/C19H21N3/c1-2-6-16(7-3-1)14-21-12-10-17(11-13-21)22-15-20-18-8-4-5-9-19(18)22/h1-9,15,17H,10-14H2",C19H21N3,,,,,,KYMRBSIZQUQJLF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.833,282-343-8,84176-76-1,1-benzyl-4-phenylpiperidine-4-carboxamide,1-benzyl-4-phenylpiperidine-4-carboxamide,NC(=O)C1(CCN(Cc2ccccc2)CC1)c3ccccc3,NC(=O)C1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C19H22N2O/c20-18(22)19(17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,20,22)",C19H22N2O,,,,,,LTUVVZKXVNALKM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.862,282-375-2,84195-69-7,"Disodium 1,1'-iminobis(ethanesulphonate)","disodium 1,1'-iminodiethanesulfonate",[Na+].[Na+].CC(NC(C)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CC(NC(C)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C4H11NO6S2.2Na/c1-3(12(6,7)8)5-4(2)13(9,10)11;;/h3-5H,1-2H3,(H,6,7,8)(H,9,10,11);;/q;2*+1/p-2",C4H11NO6S2.2Na,,,,,,PQFIJBGHHZONMM-UHFFFAOYSA-L,,,,,,,,,,,
100.074.868,282-382-0,84195-75-5,"Vinyl 2,2,5,5-tetramethylhexanoate","vinyl 2,2,5,5-tetramethylhexanoate",CC(C)(C)CCC(C)(C)C(=O)OC=C,CC(C)(C)CCC(C)(C)C(=O)OC=C,"InChI=1/C12H22O2/c1-7-14-10(13)12(5,6)9-8-11(2,3)4/h7H,1,8-9H2,2-6H3",C12H22O2,,,,,,KHRVSSXNHCFXGA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.873,284-590-7,84930-10-9,"1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)-2-buten-1-one","1-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)but-2-en-1-one",CC2(C)C1C(C(/C)=C\\CC12)C(=O)C=CC,CC2(C)C1C(C(/C)=C\CC12)C(=O)C=CC,"InChI=1/C14H20O/c1-5-6-11(15)12-9(2)7-8-10-13(12)14(10,3)4/h5-7,10,12-13H,8H2,1-4H3",C14H20O,,,,,,ABLGZAJOVGRAJX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.501,278-674-2,77365-64-1,"Pentasodium 2-[[8-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","pentasodium 2-{[8-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1c(cccc1c2S([O-])(=O)=O)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5cccc(c5)S(=O)(=O)CCOS([O-])(=O)=O)n6,[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1c(cccc1c2S([O-])(=O)=O)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5cccc(c5)S(=O)(=O)CCOS([O-])(=O)=O)n6,"InChI=1/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-3-1-4-17(13-16)59(41,42)10-9-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)11-15-12-24(62(49,50)51)26(27(40)25(15)22)39-38-21-8-7-19-20(28(21)63(52,53)54)5-2-6-23(19)61(46,47)48;;;;;/h1-8,11-14,40H,9-10H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;/q;5*+1/p-5",C31H24ClN7O19S6.5Na,,,,,,GCFAQSYBSUQUPL-UHFFFAOYSA-I,,,,,,,,,,,
100.071.505,278-678-4,77387-64-5,"1,2-bis[4-(1,1-dimethylethyl)phenyl]-2-hydroxyethan-1-one","1,2-bis(4-tert-butylphenyl)-2-hydroxyethanone",CC(C)(C)c1ccc(cc1)C(O)C(=O)c2ccc(cc2)C(C)(C)C,CC(C)(C)c1ccc(cc1)C(O)C(=O)c2ccc(cc2)C(C)(C)C,"InChI=1/C22H28O2/c1-21(2,3)17-11-7-15(8-12-17)19(23)20(24)16-9-13-18(14-10-16)22(4,5)6/h7-14,19,23H,1-6H3",C22H28O2,,,,,,RPEDYDVPZFYPOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.024,259-446-1,55035-43-3,"4,4'-(p-phenylenedivinylene)bis[N,N-bis(p-tolyl)aniline]","4,4'-(1,4-phenylenediethene-2,1-diyl)bis[N,N-bis(4-methylphenyl)aniline]",Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(C=Cc4ccc(C=Cc5ccc(cc5)N(c6ccc(C)cc6)c7ccc(C)cc7)cc4)cc3,Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(C=Cc4ccc(C=Cc5ccc(cc5)N(c6ccc(C)cc6)c7ccc(C)cc7)cc4)cc3,"InChI=1/C50H44N2/c1-37-5-25-45(26-6-37)51(46-27-7-38(2)8-28-46)49-33-21-43(22-34-49)19-17-41-13-15-42(16-14-41)18-20-44-23-35-50(36-24-44)52(47-29-9-39(3)10-30-47)48-31-11-40(4)12-32-48/h5-36H,1-4H3",C50H44N2,,,,,,LQYYDWJDEVKDGB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.028,259-450-3,55036-39-0,"2,2'-thiobis[4-tert-butyl-6-cyclopentylphenol]","2,2'-sulfanediylbis(4-tert-butyl-6-cyclopentylphenol)",CC(C)(C)c1cc(Sc2cc(cc(C3CCCC3)c2O)C(C)(C)C)c(O)c(c1)C4CCCC4,CC(C)(C)c1cc(Sc2cc(cc(C3CCCC3)c2O)C(C)(C)C)c(O)c(c1)C4CCCC4,"InChI=1/C30H42O2S/c1-29(2,3)21-15-23(19-11-7-8-12-19)27(31)25(17-21)33-26-18-22(30(4,5)6)16-24(28(26)32)20-13-9-10-14-20/h15-20,31-32H,7-14H2,1-6H3",C30H42O2S,,,,,,GMMWGCRLFJBLBW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.031,259-454-5,55044-52-5,[4-(methoxycarbonyl)phenyl]methyl p-toluate,4-(methoxycarbonyl)benzyl 4-methylbenzoate,COC(=O)c1ccc(COC(=O)c2ccc(C)cc2)cc1,COC(=O)c1ccc(COC(=O)c2ccc(C)cc2)cc1,"InChI=1/C17H16O4/c1-12-3-7-15(8-4-12)17(19)21-11-13-5-9-14(10-6-13)16(18)20-2/h3-10H,11H2,1-2H3",C17H16O4,,,,,,KUNUTDVIDIBBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.710,258-000-3,52549-90-3,4-[(2-chlorophenyl)azo]-3-hydroxy-2-naphthoic acid,4-[(2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthoic acid,Clc3ccccc3N=Nc1c2ccccc2cc(C(O)=O)c1O,Clc3ccccc3N=Nc1c2ccccc2cc(C(O)=O)c1O,"InChI=1/C17H11ClN2O3/c18-13-7-3-4-8-14(13)19-20-15-11-6-2-1-5-10(11)9-12(16(15)21)17(22)23/h1-9,21H,(H,22,23)",C17H11ClN2O3,,,,,,PWNKEFHOLISQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.711,258-001-9,52551-46-9,D-glucitol tetraoleate,"1,2,3,4-tetra-O-oleoyl-D-glucitol",CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](O)CO,"InChI=1/C78H142O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(81)85-70-72(86-74(82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)78(88-76(84)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)77(71(80)69-79)87-75(83)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h33-40,71-72,77-80H,5-32,41-70H2,1-4H3",C78H142O10,,,,,,JKLYYAZFORVFMK-HRCGDSDKSA-N,,,,,,,,,,,
100.052.713,258-004-5,52556-42-0,Sodium 3-(allyloxy)-2-hydroxypropanesulphonate,sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate,[Na+].OC(COCC=C)CS(=O)(=O)[O-],[Na+].OC(COCC=C)CS(=O)(=O)[O-],"InChI=1/C6H12O5S.Na/c1-2-3-11-4-6(7)5-12(8,9)10;/h2,6-7H,1,3-5H2,(H,8,9,10);/q;+1/p-1",C6H12O5S.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13109,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.713,CJGJYOBXQLCLRG-UHFFFAOYSA-M,,,,,,,,,,,
100.052.717,258-008-7,52562-19-3,2-isopropenylaniline,2-isopropenylaniline,CC(=C)c1ccccc1N,CC(=C)c1ccccc1N,"InChI=1/C9H11N/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1,10H2,2H3",C9H11N,,,,,,HEDYZFYQYPWWCC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.721,258-012-9,52572-38-0,3-methyl-4-(pyrrolidin-1-yl)benzenediazonium trichlorozincate,3-methyl-4-pyrrolidin-1-ylbenzenediazonium trichlorozincate(1-),Cc1cc(ccc1N2CCCC2)[N+]#N.Cl[Zn-](Cl)Cl,Cc1cc(ccc1N2CCCC2)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C11H14N3.3ClH.Zn/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;;;;/h4-5,8H,2-3,6-7H2,1H3;3*1H;/q+1;;;;+2/p-3/rC11H14N3.Cl3Zn/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;1-4(2)3/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1",C11H14N3.Cl3Zn,,,,,,ZGNCICICEFKVNL-UHFFFAOYSA-K,,,,,,,,,,,
100.052.722,258-013-4,52576-59-7,1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitroanthraquinone,"1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-9,10-anthraquinone",COc1ccc(Nc2ccc(N)c3C(=O)c4c(C(=O)c23)c(O)ccc4[N+](=O)[O-])cc1,COc1ccc(Nc2ccc(N)c3C(=O)c4c(C(=O)c23)c(O)ccc4[N+](=O)[O-])cc1,"InChI=1/C21H15N3O6/c1-30-11-4-2-10(3-5-11)23-13-7-6-12(22)16-17(13)21(27)19-15(25)9-8-14(24(28)29)18(19)20(16)26/h2-9,23,25H,22H2,1H3",C21H15N3O6,,,,,,ZMADRZYRRIKVJV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.723,258-015-5,52577-09-0,3-(chloromethyl)-p-anisaldehyde,3-(chloromethyl)-4-methoxybenzaldehyde,COc1ccc(C=O)cc1CCl,COc1ccc(C=O)cc1CCl,"InChI=1/C9H9ClO2/c1-12-9-3-2-7(6-11)4-8(9)5-10/h2-4,6H,5H2,1H3",C9H9ClO2,,,,,,LNKDOOILNUKDMI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.724,258-016-0,52578-48-0,3-carboxylato-1-(2-hydroxyethyl)pyridinium,1-(2-hydroxyethyl)pyridinium-3-carboxylate,OCC[n+]1cccc(c1)C(=O)[O-],OCC[n+]1cccc(c1)C(=O)[O-],"InChI=1/C8H9NO3/c10-5-4-9-3-1-2-7(6-9)8(11)12/h1-3,6,10H,4-5H2",C8H9NO3,,,,,,NMLHUTLOFSMVHP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.726,258-018-1,52580-60-6,(-)-cis-(pinan-2-ylmethyl)amine,"1-(2,6,6-trimethylbicyclo[3.1.1]hept-2-yl)methanamine",CC1(C)C2CCC(C)(CN)C1C2,CC1(C)C2CCC(C)(CN)C1C2,"InChI=1/C11H21N/c1-10(2)8-4-5-11(3,7-12)9(10)6-8/h8-9H,4-7,12H2,1-3H3",C10H19N,,,,,,NKOAXFJPHBJQSO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.740,258-033-3,52600-40-5,Cerium(3+) decanoate,cerium(3+) tridecanoate,[Ce+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Ce+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/3C10H20O2.Ce/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3",C10H20O2.1/3Ce,,,,,,YXJBOXIWJYSDHZ-UHFFFAOYSA-K,,,,,,,,,,,
100.052.906,258-215-2,52837-55-5,"4,5-dihydro-3-(pyridin-4-yl)-2H-benz[g]indazole","3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indazole",C1Cc2c(n[nH]c2c3ccccc13)c4ccncc4,C1Cc2c(n[nH]c2c3ccccc13)c4ccncc4,"InChI=1/C16H13N3/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12/h1-4,7-10H,5-6H2,(H,18,19)",C16H13N3,,,,,,NNOXRNQSZZKVKE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.908,258-217-3,52842-33-8,"trans-1-(2,2,6-trimethylcyclohexyl)ethanone","1-(2,2,6-trimethylcyclohexyl)ethanone",CC1CCCC(C)(C)C1C(=O)C,CC1CCCC(C)(C)C1C(=O)C,"InChI=1/C11H20O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h8,10H,5-7H2,1-4H3",C11H20O,,,,,,LGEFCQRTSXYJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.910,258-219-4,52844-21-0,"2,6,6-trimethylcyclohexenecarbaldehyde","2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde",CC1=C(C=O)C(C)(C)CCC1,CC1=C(C=O)C(C)(C)CCC1,"InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3",C10H16O,,,,,,MOQGCGNUWBPGTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.914,258-224-1,52856-54-9,Copper dihydroxybenzoate,"copper(1+) 2,3-dihydroxybenzoate",[Cu+].Oc1cccc(C(=O)[O-])c1O,[Cu+].Oc1cccc(C(=O)[O-])c1O,"InChI=1/C7H6O4.Cu/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1",C7H6O4.xCu,,,,,,QBQYZDMIORTXSH-UHFFFAOYSA-M,,,,,,,,,,,
100.052.919,258-229-9,52870-25-4,2-(carbamoyloxy)ethyl ethyl (2-cyanoethyl)phosphonate,2-(carbamoyloxy)ethyl ethyl (2-cyanoethyl)phosphonate,CCOP(=O)(CCC#N)OCCOC(=O)N,CCOP(=O)(CCC#N)OCCOC(=O)N,"InChI=1/C8H15N2O5P/c1-2-14-16(12,7-3-4-9)15-6-5-13-8(10)11/h2-3,5-7H2,1H3,(H2,10,11)",C8H15N2O5P,,,,,,GNWOSSPXKVFSFR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.920,258-230-4,52870-66-3,"Dimethyl hydrogen phosphate, compound with guanidine (1:1)",dimethyl hydrogen phosphate - guanidine (1:1),COP(=O)(O)OC.NC(=N)N,COP(=O)(O)OC.NC(=N)N,"InChI=1/C2H7O4P.CH5N3/c1-5-7(3,4)6-2;2-1(3)4/h1-2H3,(H,3,4);(H5,2,3,4)",C2H7O4P.CH5N3,,,,,,XJVYFMMEMCBWAK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.924,258-235-1,52886-07-4,Calcium N-(hydroxymethyl)-DL-methionate (1:2),calcium bis{2-[(hydroxymethyl)amino]-4-(methylsulfanyl)butanoate},[CaH2].CSCC[C@H](NCO)C(=O)[O-].CSCC[C@H](NCO)C(=O)[O-],[CaH2].CSCC[C@H](NCO)C(=O)[O-].CSCC[C@H](NCO)C(=O)[O-],"InChI=1/2C6H13NO3S.Ca.2H/c2*1-11-3-2-5(6(9)10)7-4-8;;;/h2*5,7-8H,2-4H2,1H3,(H,9,10);;;/q;;+2;;/p-2/r2C6H13NO3S.CaH2/c2*1-11-3-2-5(6(9)10)7-4-8;/h2*5,7-8H,2-4H2,1H3,(H,9,10);1H2/q;;+2/p-2",C6H13NO3S.1/2Ca,,,,,,DULNDHRCEDKACN-XWKPRDGLSA-L,,,,,,,,,,,
100.048.743,253-636-8,37713-38-5,"[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium methyl sulphate","2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium methyl sulfate",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S(=O)(=O)OC,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S(=O)(=O)OC,"InChI=1/C19H24Cl2N5O2.CH4O4S/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5-6(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C19H24Cl2N5O2.CH3O4S,,,,,,OMAWCUOTEHMCOL-UHFFFAOYSA-M,,,,,,,,,,,
100.050.251,255-295-0,41289-08-1,Bis(benzyloxy)(2-chloroethyl)methylsilane,bis(benzyloxy)(2-chloroethyl)methylsilane,C[Si](CCCl)(OCc1ccccc1)OCc2ccccc2,C[Si](CCCl)(OCc1ccccc1)OCc2ccccc2,"InChI=1/C17H21ClO2Si/c1-21(13-12-18,19-14-16-8-4-2-5-9-16)20-15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3",C17H21ClO2Si,,,,,,HGOBZGOWIVLKDF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.252,255-296-6,41289-12-7,(2-chloroethyl)diethoxymethylsilane,"(3-chloro-1,1-diethoxypropyl)silane",CCOC([SiH3])(CCCl)OCC,CCOC([SiH3])(CCCl)OCC,"InChI=1/C7H17ClO2Si/c1-3-9-7(11,5-6-8)10-4-2/h3-6H2,1-2,11H3",C7H17ClO2Si,,,,,,COEQNQDDIFYCAV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.254,255-298-7,41295-20-9,4-(p-tolyloxy)aniline,4-(4-methylphenoxy)aniline,Cc1ccc(Oc2ccc(N)cc2)cc1,Cc1ccc(Oc2ccc(N)cc2)cc1,"InChI=1/C13H13NO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3",C13H13NO,,,,,,VPCGOYHSWIYEMO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.257,255-301-1,41295-64-1,4-chloro-3-oxobutyryl chloride,4-chloro-3-oxobutanoyl chloride,ClCC(=O)CC(=O)Cl,ClCC(=O)CC(=O)Cl,InChI=1/C4H4Cl2O2/c5-2-3(7)1-4(6)8/h1-2H2,C4H4Cl2O2,,,,,,WSHVQVCBPLNREW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.265,255-310-0,41317-15-1,4-methoxy-N-phenyl-o-toluidine,4-methoxy-2-methyl-N-phenylaniline,COc1ccc(Nc2ccccc2)c(C)c1,COc1ccc(Nc2ccccc2)c(C)c1,"InChI=1/C14H15NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3",C14H15NO,,,,,,CYMPUOGZUXAIMY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.267,255-312-1,41319-88-4,[[3-chloro-4-(octadecyloxy)phenyl]hydrazono]malononitrile,{[3-chloro-4-(octadecyloxy)phenyl]hydrazono}malononitrile,CCCCCCCCCCCCCCCCCCOc1ccc(NN=C(C#N)C#N)cc1Cl,CCCCCCCCCCCCCCCCCCOc1ccc(NN=C(C#N)C#N)cc1Cl,"InChI=1/C27H41ClN4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27-19-18-24(21-26(27)28)31-32-25(22-29)23-30/h18-19,21,31H,2-17,20H2,1H3",C27H41ClN4O,,,,,,ULRBLBJOUQEKLL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.276,255-322-6,41335-56-2,"2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide",C=CCN1C(=O)c2ccccc2S1(=O)=O,C=CCN1C(=O)c2ccccc2S1(=O)=O,"InChI=1/C10H9NO3S/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14/h2-6H,1,7H2",C10H9NO3S,,,,,,PCEMJUSXPJQKDP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.594,254-572-3,39666-27-8,"4-(diisopropylamino)-2,2-diphenylbutyramide","4-(diisopropylamino)-2,2-diphenylbutanamide",CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C,CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C,"InChI=1/C22H30N2O/c1-17(2)24(18(3)4)16-15-22(21(23)25,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3,(H2,23,25)",C22H30N2O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18611,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.594,KNIVGGRCJWRCDV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.595,254-573-9,39668-74-1,Ethyl N-[[5-methyl-2-(isopropyl)cyclohexyl]carbonyl]glycinate,ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate,CCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C,CCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)",C15H27NO3,,,,,,GWRCTWAPTXBPHW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.596,254-574-4,39668-75-2,N-(2-hydroxyethyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide,N-(2-hydroxyethyl)-2-isopropyl-5-methylcyclohexanecarboxamide,CC(C)C1CCC(C)CC1C(=O)NCCO,CC(C)C1CCC(C)CC1C(=O)NCCO,"InChI=1/C13H25NO2/c1-9(2)11-5-4-10(3)8-12(11)13(16)14-6-7-15/h9-12,15H,4-8H2,1-3H3,(H,14,16)",C13H25NO2,,,,,,QZYTXHHPGQLEDS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.600,254-579-1,39668-81-0,"N-(2-hydroxy-1,1-dimethylethyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide","N-(2-hydroxy-1,1-dimethylethyl)-2-isopropyl-5-methylcyclohexanecarboxamide",CC(C)C1CCC(C)CC1C(=O)NC(C)(C)CO,CC(C)C1CCC(C)CC1C(=O)NC(C)(C)CO,"InChI=1/C15H29NO2/c1-10(2)12-7-6-11(3)8-13(12)14(18)16-15(4,5)9-17/h10-13,17H,6-9H2,1-5H3,(H,16,18)",C15H29NO2,,,,,,OCFYBPMZUITROQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.601,254-580-7,39668-82-1,"N-(1,1-dimethylethyl)-2-isopropyl-5-methylcyclohexanecarboxamide",N-tert-butyl-2-isopropyl-5-methylcyclohexanecarboxamide,CC(C)C1CCC(C)CC1C(=O)NC(C)(C)C,CC(C)C1CCC(C)CC1C(=O)NC(C)(C)C,"InChI=1/C15H29NO/c1-10(2)12-8-7-11(3)9-13(12)14(17)16-15(4,5)6/h10-13H,7-9H2,1-6H3,(H,16,17)",C15H29NO,,,,,,ZVKDZYPEJXGLJG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.602,254-581-2,39668-83-2,"2-(isopropyl)-N,5-dimethylcyclohexanecarboxamide","2-isopropyl-N,5-dimethylcyclohexanecarboxamide",CNC(=O)C1CC(C)CCC1C(C)C,CNC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C12H23NO/c1-8(2)10-6-5-9(3)7-11(10)12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)",C12H23NO,,,,,,COUUXWBCHWHELF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.608,254-588-0,39670-09-2,2-[2-(2-ethoxyethoxy)ethoxy]ethyl methacrylate,2-[2-(2-ethoxyethoxy)ethoxy]ethyl methacrylate,CCOCCOCCOCCOC(=O)C(=C)C,CCOCCOCCOCCOC(=O)C(=C)C,"InChI=1/C12H22O5/c1-4-14-5-6-15-7-8-16-9-10-17-12(13)11(2)3/h2,4-10H2,1,3H3",C12H22O5,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15995,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.608,RBFPEAGEJJSYCX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.610,254-590-1,39684-28-1,O-tert-butylhydroxylamine hydrochloride,2-(aminooxy)-2-methylpropane hydrochloride,Cl.CC(C)(C)ON,Cl.CC(C)(C)ON,"InChI=1/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;1H",C4H11NO.ClH,,,,,,ZBDXGNXNXXPKJI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.615,254-595-9,39698-12-9,"1,4:3,6-dianhydro-D-glucitol 2-carbamate 5-nitrate","1,4:3,6-dianhydro-2-O-carbamoyl-5-O-nitro-D-glucitol",NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],"InChI=1/C7H10N2O7/c8-7(10)15-3-1-13-6-4(16-9(11)12)2-14-5(3)6/h3-6H,1-2H2,(H2,8,10)",C7H10N2O7,,,,,,MTFLVFOGHZHNPU-SLPGGIOYSA-N,,,,,,,,,,,
100.049.617,254-598-5,39707-47-6,"3,7-dimethylocta-1,6-diene-3-thiol","3,7-dimethylocta-1,6-diene-3-thiol",CC(=CCCC(C)(S)C=C)C,CC(=CCCC(C)(S)C=C)C,"InChI=1/C10H18S/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",C10H18S,,,,,,PJZSIZBTDLXGEN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.059,259-484-9,55112-93-1,"6-(7-chloro-1,8-naphthyridin-2-yl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione","6-(7-chloro-1,8-naphthyridin-2-yl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione",Clc1ccc2ccc(nc2n1)N3C(=O)c4nccnc4C3=O,Clc1ccc2ccc(nc2n1)N3C(=O)c4nccnc4C3=O,InChI=1/C14H6ClN5O2/c15-8-3-1-7-2-4-9(19-12(7)18-8)20-13(21)10-11(14(20)22)17-6-5-16-10/h1-6H,C14H6ClN5O2,,,,,,YAWCXNBQBCOBBF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.062,259-488-0,55117-80-1,1-(p-chlorophenyl)-2-methylpiperazine,1-(4-chlorophenyl)-2-methylpiperazine,CC1CNCCN1c2ccc(Cl)cc2,CC1CNCCN1c2ccc(Cl)cc2,"InChI=1/C11H15ClN2/c1-9-8-13-6-7-14(9)11-4-2-10(12)3-5-11/h2-5,9,13H,6-8H2,1H3",C11H15ClN2,,,,,,YOOLKLKIUUTLFC-UHFFFAOYSA-N,,,,,,,,,,,
100.054.070,259-496-4,55142-08-0,(carboxymethyl)dodecyldimethylammonium chloride,"N-(carboxymethyl)-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(=O)O,[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(=O)O,"InChI=1/C16H33NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19;/h4-15H2,1-3H3;1H",C16H34NO2.Cl,,,,,,OTDMAGSUUOTZNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.072,259-499-0,55145-14-7,"1-[7-(dimethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]-1H-pyrrole-2,5-dione","1-[7-(dimethylamino)-4-methyl-2-oxo-2H-chromen-3-yl]-1H-pyrrole-2,5-dione",CN(C)c1ccc2C(=C(N3C(=O)C=CC3=O)C(=O)Oc2c1)C,CN(C)c1ccc2C(=C(N3C(=O)C=CC3=O)C(=O)Oc2c1)C,"InChI=1/C16H14N2O4/c1-9-11-5-4-10(17(2)3)8-12(11)22-16(21)15(9)18-13(19)6-7-14(18)20/h4-8H,1-3H3",C16H14N2O4,,,,,,ADEORFBTPGKHRP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.506,278-680-5,77390-62-6,"4-[(2-chloro-4,6-dinitrophenyl)azo]-N-(3-methoxypropyl)naphthalen-1-amine","4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-(3-methoxypropyl)naphthalen-1-amine",Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCCOC)c1ccccc12)[N+]([O-])=O,Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCCOC)c1ccccc12)[N+]([O-])=O,"InChI=1/C20H18ClN5O5/c1-31-10-4-9-22-17-7-8-18(15-6-3-2-5-14(15)17)23-24-20-16(21)11-13(25(27)28)12-19(20)26(29)30/h2-3,5-8,11-12,22H,4,9-10H2,1H3",C20H18ClN5O5,,,,,,IQKJPKBMASFCGS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.507,278-681-0,77394-54-8,"5-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","5-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C4=C(/C)C(/N=Nc3cccc2C(=O)c1ccccc1C(=O)c23)=C(/O)NC4=O,N#C\C4=C(/C)C(/N=Nc3cccc2C(=O)c1ccccc1C(=O)c23)=C(/O)NC4=O,"InChI=1/C21H12N4O4/c1-10-14(9-22)20(28)23-21(29)17(10)25-24-15-8-4-7-13-16(15)19(27)12-6-3-2-5-11(12)18(13)26/h2-8H,1H3,(H2,23,28,29)",C21H12N4O4,,,,,,UNFDCAWXTCNGKH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.510,278-684-7,77411-70-2,"a-methylbenzylammonium (R)-[(6,7-dichloro-2,3-dihydro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy]acetate","1-phenylethanaminium [(6,7-dichloro-2-methyl-1-oxo-2-phenyl-2,3-dihydro-1H-inden-5-yl)oxy]acetate",CC([NH3+])c1ccccc1.C[C@@]2(Cc3cc(OCC(=O)[O-])c(Cl)c(Cl)c3C2=O)c4ccccc4,CC([NH3+])c1ccccc1.C[C@@]2(Cc3cc(OCC(=O)[O-])c(Cl)c(Cl)c3C2=O)c4ccccc4,"InChI=1/C18H14Cl2O4.C8H11N/c1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23;1-7(9)8-5-3-2-4-6-8/h2-7H,8-9H2,1H3,(H,21,22);2-7H,9H2,1H3",C18H14Cl2O4.C8H11N,,,,,,WQAAIALFRWKTEZ-GMUIIQOCSA-N,,,,,,,,,,,
100.071.519,278-694-1,77488-84-7,"N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyimino)-1-methylethyl]acetamide","N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyimino)-1-methylethyl]acetamide",COCC(=O)N(C(C)C=NOC)c1c(C)cccc1C,COCC(=O)N(C(C)C=NOC)c1c(C)cccc1C,"InChI=1/C15H22N2O3/c1-11-7-6-8-12(2)15(11)17(14(18)10-19-4)13(3)9-16-20-5/h6-9,13H,10H2,1-5H3",C15H22N2O3,,,,,,PVKHDHPDXOREJI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.521,278-696-2,77495-40-0,Methyl 4-(acetylamino)-5-amino-o-anisate,methyl 4-acetamido-5-amino-2-methoxybenzoate,COC(=O)c1cc(N)c(NC(=O)C)cc1OC,COC(=O)c1cc(N)c(NC(=O)C)cc1OC,"InChI=1/C11H14N2O4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,12H2,1-3H3,(H,13,14)",C11H14N2O4,,,,,,ZQDVARMAKLYZTA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.531,278-707-0,77516-53-1,N-cyclohexyl-2-nitrobenzenesulphonamide,N-cyclohexyl-2-nitrobenzenesulfonamide,[O-][N+](=O)c1ccccc1S(=O)(=O)NC2CCCCC2,[O-][N+](=O)c1ccccc1S(=O)(=O)NC2CCCCC2,"InChI=1/C12H16N2O4S/c15-14(16)11-8-4-5-9-12(11)19(17,18)13-10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2",C12H16N2O4S,,,,,,MLDBPBAIRZLOJF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.821,280-126-2,83006-76-2,Lithium sodium 6-amino-5-[[4-[[3-chloro-1-oxo-3-(phenylsulphonyl)propyl]amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,lithium sodium 6-amino-5-[(4-{[3-chloro-3-(phenylsulfonyl)propanoyl]amino}-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Li+].[Na+].O=S(=O)(c1ccccc1)C(Cl)CC(=O)Nc4ccc(N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Li+].[Na+].O=S(=O)(c1ccccc1)C(Cl)CC(=O)Nc4ccc(N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C25H21ClN4O10S3.Li.Na/c26-22(41(33,34)16-4-2-1-3-5-16)13-23(32)28-15-7-9-19(21(11-15)43(38,39)40)29-30-25-18(27)8-6-14-10-17(42(35,36)37)12-20(31)24(14)25;;/h1-12,22,31H,13,27H2,(H,28,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C25H21ClN4O10S3.xLi.xNa,,,,,,BRWTXRVJRUPYAB-UHFFFAOYSA-L,,,,,,,,,,,
100.072.828,280-134-6,83027-32-1,"Disodium 2'-[4-[[2,4-dihydroxy-5-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate","disodium 2'-[4-({2,4-dihydroxy-5-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]-6-methyl-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7cc(N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c(O)cc7O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7cc(N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c(O)cc7O,"InChI=1/C33H22N6O8S4.2Na/c1-17-2-12-24-30(31(17)51(45,46)47)49-33(35-24)19-5-13-23-29(14-19)48-32(34-23)18-3-6-20(7-4-18)36-38-25-15-26(28(41)16-27(25)40)39-37-21-8-10-22(11-9-21)50(42,43)44;;/h2-16,40-41H,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C33H22N6O8S4.2Na,,,,,,PREBZOQUOIEUMQ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.829,280-135-1,83027-33-2,"1-amino-9,10-dihydro-4-[[4-[(2-naphthylsulphonyl)amino]cyclohexyl]amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-({4-[(2-naphthylsulfonyl)amino]cyclohexyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCC(CC4)NS(=O)(=O)c5ccc6ccccc6c5)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCC(CC4)NS(=O)(=O)c5ccc6ccccc6c5)cc1S(=O)(=O)O,"InChI=1/C30H27N3O7S2/c31-28-25(42(38,39)40)16-24(26-27(28)30(35)23-8-4-3-7-22(23)29(26)34)32-19-10-12-20(13-11-19)33-41(36,37)21-14-9-17-5-1-2-6-18(17)15-21/h1-9,14-16,19-20,32-33H,10-13,31H2,(H,38,39,40)",C30H27N3O7S2,,,,,,YKVQXEUHVDKZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.832,280-138-8,83027-36-5,"5-cyclohexyl-2-[[4-[(4-cyclohexylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]benzenesulphonic acid","5-cyclohexyl-2-({4-[(4-cyclohexylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)benzenesulfonic acid",OS(=O)(=O)c1cc(ccc1Nc2ccc(Nc3ccc(cc3)C4CCCCC4)c5C(=O)c6ccccc6C(=O)c25)C7CCCCC7,OS(=O)(=O)c1cc(ccc1Nc2ccc(Nc3ccc(cc3)C4CCCCC4)c5C(=O)c6ccccc6C(=O)c25)C7CCCCC7,"InChI=1/C38H38N2O5S/c41-37-29-13-7-8-14-30(29)38(42)36-33(40-31-20-17-27(23-34(31)46(43,44)45)25-11-5-2-6-12-25)22-21-32(35(36)37)39-28-18-15-26(16-19-28)24-9-3-1-4-10-24/h7-8,13-25,39-40H,1-6,9-12H2,(H,43,44,45)",C38H38N2O5S,,,,,,HQOMFKMEUYWVBX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.742,258-035-4,52602-94-5,p-nitrobenzyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride,4-nitrobenzyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride,Cl.CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-],Cl.CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-],"InChI=1/C15H15N3O5S.ClH/c1-8-7-24-14-11(16)13(19)17(14)12(8)15(20)23-6-9-2-4-10(5-3-9)18(21)22;/h2-5,11,14H,6-7,16H2,1H3;1H",C15H15N3O5S.ClH,,,,,,BWYCVCPPLDSRIO-XCBLFTOQSA-N,,,,,,,,,,,
100.052.748,258-042-2,52610-09-0,"2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulphonyl]ethyl hydrogen sulphate","2-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl}sulfonyl)ethyl hydrogen sulfate",OS(=O)(=O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,OS(=O)(=O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,"InChI=1/C11H10Cl2N4O6S2/c12-9-15-10(13)17-11(16-9)14-7-1-3-8(4-2-7)24(18,19)6-5-23-25(20,21)22/h1-4H,5-6H2,(H,20,21,22)(H,14,15,16,17)",C11H10Cl2N4O6S2,,,,,,KARQWNJBJZMXNE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.898,254-906-8,40398-00-3,3-chloro-4-isocyanatotoluene,2-chloro-1-isocyanato-4-methylbenzene,Cc1ccc(N=C=O)c(Cl)c1,Cc1ccc(N=C=O)c(Cl)c1,"InChI=1/C8H6ClNO/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3",C8H6ClNO,,,,,,QVCZOTVTRWNPAF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.908,254-917-8,40432-84-6,5-bromo-3-indoleacetic acid,(5-bromo-1H-indol-3-yl)acetic acid,OC(=O)Cc1c[nH]c2ccc(Br)cc12,OC(=O)Cc1c[nH]c2ccc(Br)cc12,"InChI=1/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)",C10H8BrNO2,,,,,,WTFGHMZUJMRWBK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.916,254-926-7,40454-29-3,3-methyl-6-methyleneoct-4-yn-3-ol,3-methyl-6-methyleneoct-4-yn-3-ol,CCC(=C)C#CC(C)(O)CC,CCC(=C)C#CC(C)(O)CC,"InChI=1/C10H16O/c1-5-9(3)7-8-10(4,11)6-2/h11H,3,5-6H2,1-2,4H3",C10H16O,,,,,,RLTCMUPDENBOCP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.919,254-929-3,40458-98-8,"2,7-diisopropylnaphthalene","2,7-diisopropylnaphthalene",CC(C)c1ccc2ccc(cc2c1)C(C)C,CC(C)c1ccc2ccc(cc2c1)C(C)C,"InChI=1/C16H20/c1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14/h5-12H,1-4H3",C16H20,,,,,,YGDMAJYAQCDTNG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.920,254-930-9,40463-09-0,4-methyl-1-phenylpentan-3-one,4-methyl-1-phenylpentan-3-one,CC(C)C(=O)CCc1ccccc1,CC(C)C(=O)CCc1ccccc1,"InChI=1/C12H16O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O,,,,,,QATHVLKLWVUSRC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.922,254-933-5,40464-54-8,Heptafluorotetrahydro(nonafluorobutyl)furan,"2,2,3,3,4,4,5-heptafluoro-5-(nonafluorobutyl)tetrahydrofuran",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F,"InChI=1/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6",C8F16O,,,,,,FYJQJMIEZVMYSD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.925,254-936-1,40471-97-4,"6,7,9,10,17,18,20,21-octahydro-8,19-(ethanoxyethanoxyethano)-8H,19H-dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine","6,7,9,10,17,18,20,21-octahydro-8,19-(ethanooxyethanooxyethano)dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine",C1COCCN2CCOc3ccccc3OCCN(CCO1)CCOc4ccccc4OCC2,C1COCCN2CCOc3ccccc3OCCN(CCO1)CCOc4ccccc4OCC2,"InChI=1/C26H36N2O6/c1-2-6-24-23(5-1)31-17-11-27-9-15-29-21-22-30-16-10-28(12-18-32-24)14-20-34-26-8-4-3-7-25(26)33-19-13-27/h1-8H,9-22H2",C26H36N2O6,,,,,,KBGDKACEOLZYIC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.928,254-939-8,40492-13-5,"Sodium hydrogen 4-amino-5-hydroxynaphthalene-1,6-disulphonate","sodium hydrogen 4-amino-5-hydroxynaphthalene-1,6-disulfonate",[Na+].Nc1ccc(c2ccc(c(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc(c2ccc(c(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.Na/c11-6-2-4-7(19(13,14)15)5-1-3-8(20(16,17)18)10(12)9(5)6;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H9NO7S2.Na,,,,,,MFDYBCJRGXYPBN-UHFFFAOYSA-L,,,,,,,,,,,
100.049.929,254-940-3,40492-14-6,"Sodium hydrogen 4-amino-5-hydroxynaphthalene-1,7-disulphonate","sodium hydrogen 4-amino-5-hydroxynaphthalene-1,7-disulfonate",[Na+].Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.Na/c11-7-1-2-9(20(16,17)18)6-3-5(19(13,14)15)4-8(12)10(6)7;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H9NO7S2.Na,,,,,,TUHQCZDYGQDOLL-UHFFFAOYSA-L,,,,,,,,,,,
100.049.934,254-946-6,40507-86-6,"N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine mononitrate","N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine nitrate",O[N+](=O)[O-].C1Cc2cccc(NC3=NCCN3)c2C1,O[N+](=O)[O-].C1Cc2cccc(NC3=NCCN3)c2C1,"InChI=1/C12H15N3.HNO3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12;2-1(3)4/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15);(H,2,3,4)",C12H15N3.HNO3,,,,,,CNKLAMCYSQDBMF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.943,254-956-0,40527-42-2,"5-diethoxymethyl-1,3-benzodioxole","5-(diethoxymethyl)-1,3-benzodioxole",CCOC(OCC)c1ccc2OCOc2c1,CCOC(OCC)c1ccc2OCOc2c1,"InChI=1/C12H16O4/c1-3-13-12(14-4-2)9-5-6-10-11(7-9)16-8-15-10/h5-7,12H,3-4,8H2,1-2H3",C12H16O4,,,,,,YDQLGNDCYHZHEE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.944,254-957-6,40529-66-6,"Ethyl-1,1'-biphenyl",2-ethylbiphenyl,CCc1ccccc1c2ccccc2,CCc1ccccc1c2ccccc2,"InChI=1/C14H14/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13/h3-11H,2H2,1H3",C14H14,,,,,,DLMYHUARHITGIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.277,255-323-1,41335-57-3,"2-(2-propynyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","2-prop-2-yn-1-yl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide",O=C1N(CC#C)S(=O)(=O)c2ccccc12,O=C1N(CC#C)S(=O)(=O)c2ccccc12,"InChI=1/C10H7NO3S/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14/h1,3-6H,7H2",C10H7NO3S,,,,,,BEJGLFVJZIJLDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.045,257-268-9,51547-99-0,"(±)-(1a,2ß,5a)-5-(isopropyl)-2-methylcyclohexyl acetate",5-isopropyl-2-methylcyclohexyl acetate,CC(C)C1CCC(C)C(C1)OC(=O)C,CC(C)C1CCC(C)C(C1)OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,JAKFDYGDDRCJLY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.047,257-271-5,51549-49-6,N-benzoyl-2'-deoxycytidine 3'-benzoate,N-benzoyl-3'-O-benzoyl-2'-deoxycytidine,OC[C@H]1O[C@H](C[C@@H]1OC(=O)c2ccccc2)N3C=CC(=NC3=O)NC(=O)c4ccccc4,OC[C@H]1O[C@H](C[C@@H]1OC(=O)c2ccccc2)N3C=CC(=NC3=O)NC(=O)c4ccccc4,"InChI=1/C23H21N3O6/c27-14-18-17(32-22(29)16-9-5-2-6-10-16)13-20(31-18)26-12-11-19(25-23(26)30)24-21(28)15-7-3-1-4-8-15/h1-12,17-18,20,27H,13-14H2,(H,24,25,28,30)",C23H21N3O6,,,,,,FRCSORXRCWKCJL-NLWGTHIKSA-N,,,,,,,,,,,
100.052.056,257-280-4,51555-08-9,p-[1-(p-pentylphenyl)vinyl]anisole,1-methoxy-4-[1-(4-pentylphenyl)vinyl]benzene,CCCCCc1ccc(cc1)C(=C)c2ccc(OC)cc2,CCCCCc1ccc(cc1)C(=C)c2ccc(OC)cc2,"InChI=1/C20H24O/c1-4-5-6-7-17-8-10-18(11-9-17)16(2)19-12-14-20(21-3)15-13-19/h8-15H,2,4-7H2,1,3H3",C20H24O,,,,,,DFONJTXPBZHBAE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.060,257-285-1,51557-09-6,(E)-4-(1-naphthyl)-3-buten-2-one,4-(1-naphthyl)but-3-en-2-one,CC(=O)\\C=C\\c1cccc2ccccc12,CC(=O)\C=C\c1cccc2ccccc12,"InChI=1/C14H12O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3",C14H12O,,,,,,OYYZOYHZDFGMKD-MDZDMXLPSA-N,,,,,,,,,,,
100.052.062,257-287-2,51566-22-4,"3-methylpyridine-2,6-diamine","3-methylpyridine-2,6-diamine",Cc1ccc(N)nc1N,Cc1ccc(N)nc1N,"InChI=1/C6H9N3/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3,(H4,7,8,9)",C6H9N3,,,,,,XKDZQCLCLGOJHN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.064,257-289-3,51570-50-4,(Z)-N-(1-oxooctadec-9-en-1-yl)-L-methionine,N-oleoyl-L-methionine,CCCCCCCC\\C=C/CCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C23H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)(H,26,27)",C23H43NO3S,,,,,,ATFITIQQSWCPIQ-XPTLAUCJSA-N,,,,,,,,,,,
100.052.076,257-302-2,51591-37-8,"[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] hydrogen 2,3-diacetoxysuccinate","2,3-diacetoxy-4-[2-hydroxy-3-(stearoyloxy)propoxy]-4-oxobutanoic acid",CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O,"InChI=1/C29H50O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(33)37-20-24(32)21-38-29(36)27(40-23(3)31)26(28(34)35)39-22(2)30/h24,26-27,32H,4-21H2,1-3H3,(H,34,35)",C29H50O11,,,,,,HEBJIRRQKKTASW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.085,257-312-7,51596-06-6,"2,5-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-7-ol","2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol",Cc1cc(O)n2nc(C)nc2n1,Cc1cc(O)n2nc(C)nc2n1,"InChI=1/C7H8N4O/c1-4-3-6(12)11-7(8-4)9-5(2)10-11/h3,12H,1-2H3",C7H8N4O,,,,,,LJSPDQNEOIJOKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.086,257-313-2,51599-32-7,"N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[(1-phenyl-1H-tetrazol-5-yl)thio]valeramide","N-[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pentanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Sc3nnnn3c4ccccc4)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Sc3nnnn3c4ccccc4)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,"InChI=1/C40H51ClN6O4S/c1-10-39(6,7)26-19-22-32(29(24-26)40(8,9)11-2)51-23-15-18-33(48)42-27-20-21-30(41)31(25-27)43-36(50)34(35(49)38(3,4)5)52-37-44-45-46-47(37)28-16-13-12-14-17-28/h12-14,16-17,19-22,24-25,34H,10-11,15,18,23H2,1-9H3,(H,42,48)(H,43,50)",C40H51ClN6O4S,,,,,,VLJSFMSQZCVLRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.088,257-315-3,51605-32-4,Ethyl 4-methylimidazole-5-carboxylate,ethyl 5-methyl-1H-imidazole-4-carboxylate,CCOC(=O)c1nc[nH]c1C,CCOC(=O)c1nc[nH]c1C,"InChI=1/C7H10N2O2/c1-3-11-7(10)6-5(2)8-4-9-6/h4H,3H2,1-2H3,(H,8,9)",C7H10N2O2,,,,,,VLDUBDZWWNLZCU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.029,253-951-0,38460-95-6,Undec-10-enoyl chloride,undec-10-enoyl chloride,ClC(=O)CCCCCCCCC=C,ClC(=O)CCCCCCCCC=C,"InChI=1/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2",C11H19ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16549,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.029,MZFGYVZYLMNXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.034,253-956-8,38462-27-0,"(Z)-4-(1,4,8-trimethyl-3,7-nonadienyl)pyridine","4-(1,4,8-trimethylnona-3,7-dien-1-yl)pyridine",CC(C\\C=C(\\C)/CCC=C(C)C)c1ccncc1,CC(C\C=C(\C)/CCC=C(C)C)c1ccncc1,"InChI=1/C17H25N/c1-14(2)6-5-7-15(3)8-9-16(4)17-10-12-18-13-11-17/h6,8,10-13,16H,5,7,9H2,1-4H3",C17H25N,,,,,,KULYGLRIZQIANR-NVNXTCNLSA-N,,,,,,,,,,,
100.049.040,253-963-6,38475-96-6,9-(4-aminophenyl)-2-methylacridin-3-amine monohydrochloride,9-(4-aminophenyl)-2-methylacridin-3-amine hydrochloride,Cl.Cc1cc2c(c3ccc(N)cc3)c4ccccc4nc2cc1N,Cl.Cc1cc2c(c3ccc(N)cc3)c4ccccc4nc2cc1N,"InChI=1/C20H17N3.ClH/c1-12-10-16-19(11-17(12)22)23-18-5-3-2-4-15(18)20(16)13-6-8-14(21)9-7-13;/h2-11H,21-22H2,1H3;1H",C20H17N3.ClH,,,,,,VDAIXKMDNWTBBT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.077,259-505-1,55154-38-6,"4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2-quinolyl hydrogen sulphate (1:1)","quinolin-2-yl hydrogen sulfate - 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1:1)",CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.OS(=O)(=O)Oc3ccc4ccccc4n3,CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.OS(=O)(=O)Oc3ccc4ccccc4n3,"InChI=1/C13H17N3O.C9H7NO4S/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;11-15(12,13)14-9-6-5-7-3-1-2-4-8(7)10-9/h5-9H,1-4H3;1-6H,(H,11,12,13)",C13H17N3O.C9H7NO4S,,,,,,XXFUWLQJMWSPKT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.079,259-507-2,55162-34-0,1-bromo-4-(2-chloroethoxy)benzene,1-bromo-4-(2-chloroethoxy)benzene,ClCCOc1ccc(Br)cc1,ClCCOc1ccc(Br)cc1,"InChI=1/C8H8BrClO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6H2",C8H8BrClO,,,,,,VRODDNARFBDTNM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.759,252-550-8,35411-32-6,"Thiodi-2,1-ethanediyl bismethacrylate","sulfanediyldiethane-2,1-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCSCCOC(=O)C(=C)C,CC(=C)C(=O)OCCSCCOC(=O)C(=C)C,"InChI=1/C12H18O4S/c1-9(2)11(13)15-5-7-17-8-6-16-12(14)10(3)4/h1,3,5-8H2,2,4H3",C12H18O4S,,,,,,AXXUFOMEPPBIHV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.761,252-552-9,35415-27-1,"Trinonyl benzene-1,2,4-tricarboxylate","trinonyl benzene-1,2,4-tricarboxylate",CCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCC)c(c1)C(=O)OCCCCCCCCC,CCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCC)c(c1)C(=O)OCCCCCCCCC,"InChI=1/C36H60O6/c1-4-7-10-13-16-19-22-27-40-34(37)31-25-26-32(35(38)41-28-23-20-17-14-11-8-5-2)33(30-31)36(39)42-29-24-21-18-15-12-9-6-3/h25-26,30H,4-24,27-29H2,1-3H3",C36H60O6,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17482,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.761,ROPPTGKKZZDFJN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.770,252-562-3,35441-12-4,"2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanol","2-({4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethanol",Cc1cc(Cl)c(Cl)cc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)CCO,Cc1cc(Cl)c(Cl)cc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)CCO,"InChI=1/C18H18Cl2N2O3S/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)26(24,25)9-8-23/h2-5,10-11,23H,6-9H2,1H3",C18H18Cl2N2O3S,,,,,,ZSKBQNJOXKPYHR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.776,252-569-1,35444-44-1,Methyl 6-chloro-6-oxohexanoate,methyl 6-chloro-6-oxohexanoate,COC(=O)CCCCC(=O)Cl,COC(=O)CCCCC(=O)Cl,"InChI=1/C7H11ClO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3",C7H11ClO3,,,,,,HDLGIEZOMYJKAK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.780,252-573-3,35449-52-6,Propylenebis(dithiocarbamic) acid,"propane-1,2-diyldicarbamodithioic acid",CC(CNC(=S)S)NC(=S)S,CC(CNC(=S)S)NC(=S)S,"InChI=1/C5H10N2S4/c1-3(7-5(10)11)2-6-4(8)9/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11)",C5H10N2S4,,,,,,IJIHYLHFNAWUGR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.790,252-584-3,35471-43-3,"Potassium 2,4,5-trichlorophenolate","potassium 2,4,5-trichlorophenolate",[K+].[O-]c1cc(Cl)c(Cl)cc1Cl,[K+].[O-]c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H3Cl3O.K/c7-3-1-5(9)6(10)2-4(3)8;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.K,,,,,,NBMMDJIFROGEQN-UHFFFAOYSA-M,,,,,,,,,,,
100.047.792,252-586-4,35478-71-8,2-diethylaminophenol,2-(diethylamino)phenol,CCN(CC)c1ccccc1O,CCN(CC)c1ccccc1O,"InChI=1/C10H15NO/c1-3-11(4-2)9-7-5-6-8-10(9)12/h5-8,12H,3-4H2,1-2H3",C10H15NO,,,,,,YOIQWFZSLGRZJX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.794,252-589-0,35482-56-5,"Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate","ethyl 7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate",CCOC(=O)C1=CNc2nc(C)ccc2C1=O,CCOC(=O)C1=CNc2nc(C)ccc2C1=O,"InChI=1/C12H12N2O3/c1-3-17-12(16)9-6-13-11-8(10(9)15)5-4-7(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,15)",C12H12N2O3,,,,,,KPXWNJGVBKCXKB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.797,252-592-7,35490-04-1,Methyl 2-acetyl-5-oxohexanoate,methyl 2-acetyl-5-oxohexanoate,COC(=O)C(CCC(=O)C)C(=O)C,COC(=O)C(CCC(=O)C)C(=O)C,"InChI=1/C9H14O4/c1-6(10)4-5-8(7(2)11)9(12)13-3/h8H,4-5H2,1-3H3",C9H14O4,,,,,,XMLGBZPOJUOGOO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.950,254-963-9,40537-81-3,"2,5-dichloro-4-[4-[[3-[(ethylphenylamino)sulphonyl]-p-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","2,5-dichloro-4-[4-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O,CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O,"InChI=1/C25H23Cl2N5O6S2/c1-4-31(18-8-6-5-7-9-18)39(34,35)22-12-17(11-10-15(22)2)28-29-24-16(3)30-32(25(24)33)21-13-20(27)23(14-19(21)26)40(36,37)38/h5-14,24H,4H2,1-3H3,(H,36,37,38)",C25H23Cl2N5O6S2,,,,,,WSQCBGZSSIUKQP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.951,254-964-4,40538-17-8,N-(aminoiminomethyl)stearamide,N-carbamimidoyloctadecanamide,CCCCCCCCCCCCCCCCCC(=O)NC(=N)N,CCCCCCCCCCCCCCCCCC(=O)NC(=N)N,"InChI=1/C19H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)22-19(20)21/h2-17H2,1H3,(H4,20,21,22,23)",C19H39N3O,,,,,,WFUQYEXDJIJMAA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.953,254-967-0,40541-41-1,Dihydro-3-(3-methylbutyl)furan-2(3H)-one,3-(3-methylbutyl)dihydrofuran-2(3H)-one,CC(C)CCC1CCOC1=O,CC(C)CCC1CCOC1=O,"InChI=1/C9H16O2/c1-7(2)3-4-8-5-6-11-9(8)10/h7-8H,3-6H2,1-2H3",C9H16O2,,,,,,SGQTUZRWTKNTGV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.961,254-975-4,40564-10-1,2-propylidenecyclopentan-1-one,2-propylidenecyclopentanone,CCC=C1CCCC1=O,CCC=C1CCCC1=O,"InChI=1/C8H12O/c1-2-4-7-5-3-6-8(7)9/h4H,2-3,5-6H2,1H3",C8H12O,,,,,,RBBXMNMQOGQFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.835,280-141-4,83027-39-8,Dimethyl(naphthylmethyl)[2-[(1-oxohexadecyl)oxy]ethyl]ammonium chloride,"N,N-dimethyl-N-(1-naphthylmethyl)-2-(palmitoyloxy)ethanaminium chloride",[Cl-].CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cccc2ccccc12,[Cl-].CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cccc2ccccc12,"InChI=1/C31H50NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-31(33)34-26-25-32(2,3)27-29-22-19-21-28-20-17-18-23-30(28)29;/h17-23H,4-16,24-27H2,1-3H3;1H/q+1;/p-1",C31H50NO2.Cl,,,,,,PGSYLZCYZOGPFI-UHFFFAOYSA-M,,,,,,,,,,,
100.074.683,282-177-6,84110-42-9,"Azelaic acid, compound with 2-aminoethanol",nonanedioic acid - 2-aminoethanol (1:1),NCCO.OC(=O)CCCCCCCC(=O)O,NCCO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C2H7NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;3-1-2-4/h1-7H2,(H,10,11)(H,12,13);4H,1-3H2",C9H16O4.xC2H7NO,,,,,,GJSOOBSPTVBJGX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.685,282-179-7,84110-44-1,"2,4,6-trimethylnonan-4-ol","2,4,6-trimethylnonan-4-ol",CCCC(C)CC(C)(O)CC(C)C,CCCC(C)CC(C)(O)CC(C)C,"InChI=1/C12H26O/c1-6-7-11(4)9-12(5,13)8-10(2)3/h10-11,13H,6-9H2,1-5H3",C12H26O,,,,,,RTGWCORQKNEYIB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.872,282-386-2,84195-79-9,"Disodium 4-[(2,4-dihydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate, mono[(p-nitrophenyl)azo] mono[(2-hydroxy-3,5-dinitrophenyl)azo] derivative","disodium 4-[(2,4-dihydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate, mono[(p-nitrophenyl)azo] mono[(2-hydroxy-3,5-dinitrophenyl)azo] derivative",[Na+].[Na+].Oc5c(cc(cc5N=NOS(=O)(=O)c3cc2cc(cc(N=Nc1ccc(O)cc1O)c2c(O)c3)S(=O)(=O)ON=Nc4ccc(cc4)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,[Na+].[Na+].Oc5c(cc(cc5N=NOS(=O)(=O)c3cc2cc(cc(N=Nc1ccc(O)cc1O)c2c(O)c3)S(=O)(=O)ON=Nc4ccc(cc4)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C28H17N9O16S2.2Na/c38-18-5-6-21(25(39)11-18)30-31-22-12-19(54(48,49)52-33-29-15-1-3-16(4-2-15)35(42)43)7-14-8-20(13-26(40)27(14)22)55(50,51)53-34-32-23-9-17(36(44)45)10-24(28(23)41)37(46)47;;/h1-13,38-41H;;/q;2*+1",C28H17N9O16S2.2Na,,,,,,BQFUNMMJZQKEMV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.501,285-282-5,85050-10-8,"[3,3-bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]propyl]benzene","{3,3-bis[(1,5-dimethyl-1-vinylhex-4-en-1-yl)oxy]propyl}benzene",CC(=CCCC(C)(OC(CCc1ccccc1)OC(C)(CCC=C(C)C)C=C)C=C)C,CC(=CCCC(C)(OC(CCc1ccccc1)OC(C)(CCC=C(C)C)C=C)C=C)C,"InChI=1/C29H44O2/c1-9-28(7,22-14-16-24(3)4)30-27(21-20-26-18-12-11-13-19-26)31-29(8,10-2)23-15-17-25(5)6/h9-13,16-19,27H,1-2,14-15,20-23H2,3-8H3",C29H44O2,,,,,,AKQBPDWFCDLKKL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.504,285-285-1,85050-13-1,"(Z,Z)-N,N'-hexane-1,6-diyldidocos-13-enamide","N,N'-hexane-1,6-diylbisdocos-13-enamide",CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C50H96N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-45-49(53)51-47-43-39-40-44-48-52-50(54)46-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-48H2,1-2H3,(H,51,53)(H,52,54)",C50H96N2O2,,,,,,NLELJFDXXCCGFZ-CLFAGFIQSA-N,,,,,,,,,,,
100.077.514,285-296-1,85068-34-4,"3',5'-bis(trifluoromethyl)propiophenone","1-[3,5-bis(trifluoromethyl)phenyl]propan-1-one",CCC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,CCC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3",C11H8F6O,,,,,,VLRWCHKOSBUGMB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.526,285-309-0,85068-49-1,Bis(2-ethoxyphenyl) carbonate,bis(2-ethoxyphenyl) carbonate,CCOc1ccccc1OC(=O)Oc2ccccc2OCC,CCOc1ccccc1OC(=O)Oc2ccccc2OCC,"InChI=1/C17H18O5/c1-3-19-13-9-5-7-11-15(13)21-17(18)22-16-12-8-6-10-14(16)20-4-2/h5-12H,3-4H2,1-2H3",C17H18O5,,,,,,LTAICIIOZBYBTN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.528,285-311-1,85068-51-5,"20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl undec-10-enoate","20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl undec-10-enoate",OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCC=C,OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCC=C,"InChI=1/C25H48O9/c1-2-3-4-5-6-7-8-9-10-25(27)34-24-23-33-22-21-32-20-19-31-18-17-30-16-15-29-14-13-28-12-11-26/h2,26H,1,3-24H2",C25H48O9,,,,,,FSUNBVHKEPRZEA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.535,278-711-2,77528-65-5,"4,5,6,7-tetrahydro-2-methylbenzothiazole-5-methanol","(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol",Cc1nc2CC(CO)CCc2s1,Cc1nc2CC(CO)CCc2s1,"InChI=1/C9H13NOS/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h7,11H,2-5H2,1H3",C9H13NOS,,,,,,VQVKKIYLIHOYPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.543,278-720-1,77546-81-7,"20-aminopregna-1,4-dien-3-one","20-aminopregna-1,4-dien-3-one",CC(N)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,CC(N)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C21H31NO/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12-13,16-19H,4-7,9,11,22H2,1-3H3",C21H31NO,,,,,,BQUZWOTWZGCUID-HWSYHKBZSA-N,,,,,,,,,,,
100.071.550,278-728-5,77585-94-5,2-(6-chloropyridazin-3-yl)phenol,2-(6-chloropyridazin-3-yl)phenol,Oc1ccccc1c2ccc(Cl)nn2,Oc1ccccc1c2ccc(Cl)nn2,"InChI=1/C10H7ClN2O/c11-10-6-5-8(12-13-10)7-3-1-2-4-9(7)14/h1-6,14H",C10H7ClN2O,,,,,,FRWYZVRPWFWYFU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.573,254-549-8,39634-42-9,p-[4-(trifluoromethyl)phenoxy]phenol,4-[4-(trifluoromethyl)phenoxy]phenol,Oc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1,Oc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1,"InChI=1/C13H9F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-8,17H",C13H9F3O2,,,,,,FJFSSESWAFPCSU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.580,254-557-1,39642-65-4,"1,3-bis(3-pyridylmethyl)urea","1,3-bis(pyridin-3-ylmethyl)urea",O=C(NCc1cccnc1)NCc2cccnc2,O=C(NCc1cccnc1)NCc2cccnc2,"InChI=1/C13H14N4O/c18-13(16-9-11-3-1-5-14-7-11)17-10-12-4-2-6-15-8-12/h1-8H,9-10H2,(H2,16,17,18)",C13H14N4O,,,,,,MXEJJBGVOYQRDF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.584,254-561-3,39649-71-3,4-hexyloxybenzoyl chloride,4-(hexyloxy)benzoyl chloride,CCCCCCOc1ccc(cc1)C(=O)Cl,CCCCCCOc1ccc(cc1)C(=O)Cl,"InChI=1/C13H17ClO2/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3",C13H17ClO2,,,,,,DQQOONVCLQZWOY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.587,254-565-5,39650-63-0,1H-benzimidazole-pentane-2-amine,5-(1H-benzimidazol-2-yl)pentan-1-amine,NCCCCCc1nc2ccccc2[nH]1,NCCCCCc1nc2ccccc2[nH]1,"InChI=1/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)",C12H17N3,,,,,,XTJRXHPNZGDOGE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.589,254-567-6,39657-47-1,"4-acetoxy-3,5-dimethoxybenzoyl chloride","4-(chlorocarbonyl)-2,6-dimethoxyphenyl acetate",COc1cc(cc(OC)c1OC(=O)C)C(=O)Cl,COc1cc(cc(OC)c1OC(=O)C)C(=O)Cl,"InChI=1/C11H11ClO5/c1-6(13)17-10-8(15-2)4-7(11(12)14)5-9(10)16-3/h4-5H,1-3H3",C11H11ClO5,,,,,,GUYBWIMXUDUWPX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.592,254-570-2,39663-84-8,Lithium hydroxyacetate,lithium glycolate,[Li+].OCC(=O)[O-],[Li+].OCC(=O)[O-],"InChI=1/C2H4O3.Li/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+1/p-1",C2H4O3.Li,,,,,,DSOSKIYNVXMGOA-UHFFFAOYSA-M,,,,,,,,,,,
100.049.598,254-577-0,39668-77-4,"2-(isopropyl)-N,N,5-trimethylcyclohexanecarboxamide","2-isopropyl-N,N,5-trimethylcyclohexanecarboxamide",CC(C)C1CCC(C)CC1C(=O)N(C)C,CC(C)C1CCC(C)CC1C(=O)N(C)C,"InChI=1/C13H25NO/c1-9(2)11-7-6-10(3)8-12(11)13(15)14(4)5/h9-12H,6-8H2,1-5H3",C13H25NO,,,,,,SBQWUJVATMNCKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.603,254-582-8,39668-86-5,p-menthane-3-carboxylic acid,2-isopropyl-5-methylcyclohexanecarboxylic acid,CC(C)C1CCC(C)CC1C(=O)O,CC(C)C1CCC(C)CC1C(=O)O,"InChI=1/C11H20O2/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)",C11H20O2,,,,,,MNVSUVYRIVXDBK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.607,254-587-5,39670-02-5,3-(2-chloro-1-methylethylidene)carbazamidine,2-(2-chloro-1-methylethylidene)hydrazinecarboximidamide,CC(CCl)=NNC(N)=N,CC(CCl)=NNC(N)=N,"InChI=1/C4H9ClN4/c1-3(2-5)8-9-4(6)7/h2H2,1H3,(H4,6,7,9)",C4H9ClN4,,,,,,PFAKVDNMGVXKKW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.609,254-589-6,39670-15-0,"Acrylic acid, tin salt",-,[Sn+4].[O-]C(=O)C=C,[Sn+4].[O-]C(=O)C=C,"InChI=1/C3H4O2.Sn/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+4/p-1",C3H4O2.xSn,,,,,,GIUMLQLMMQXPIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.049.612,254-592-2,39685-31-9,Cefuracetime,3-(acetoxymethyl)-7-{[2-furyl(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,O=C2[C@@H](NC(=O)C(=NOC)c1ccco1)[C@H]3SC\\C(COC(C)=O)=C(/N23)C(O)=O,O=C2[C@@H](NC(=O)C(=NOC)c1ccco1)[C@H]3SC\C(COC(C)=O)=C(/N23)C(O)=O,"InChI=1/C17H17N3O8S/c1-8(21)28-6-9-7-29-16-12(15(23)20(16)13(9)17(24)25)18-14(22)11(19-26-2)10-4-3-5-27-10/h3-5,12,16H,6-7H2,1-2H3,(H,18,22)(H,24,25)",C17H17N3O8S,,,,,,YBHZVPYSEUQIII-MLGOLLRUSA-N,,,,,,,,,,,
100.054.044,259-468-1,55067-12-4,"Sodium 2-[4-[[2-(cyanoimino)hexahydro-4,6-dioxopyrimidin-5-yl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate","sodium 2-(4-{[2-(cyanoimino)-4,6-dioxohexahydropyrimidin-5-yl]diazenyl}phenyl)-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].O=C4N/C(=N\\C#N)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O,[Na+].O=C4N/C(=N\C#N)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O,"InChI=1/C19H13N7O5S2.Na/c1-9-2-7-12-14(15(9)33(29,30)31)32-18(22-12)10-3-5-11(6-4-10)25-26-13-16(27)23-19(21-8-20)24-17(13)28;/h2-7,13H,1H3,(H,29,30,31)(H2,21,23,24,27,28);/q;+1/p-1",C19H13N7O5S2.Na,,,,,,FCFYFUFGQKWGGB-UHFFFAOYSA-M,,,,,,,,,,,
100.054.045,259-469-7,55067-14-6,"2-[4-[[2-(cyanoimino)hexahydro-4,6-dioxopyrimidin-5-yl]azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid","2-(4-{[2-(cyanoimino)-4,6-dioxohexahydropyrimidin-5-yl]diazenyl}phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid",O=C4N/C(=N\\C#N)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S(O)(=O)=O,O=C4N/C(=N\C#N)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S(O)(=O)=O,"InChI=1/C19H13N7O5S2/c1-9-2-7-12-14(15(9)33(29,30)31)32-18(22-12)10-3-5-11(6-4-10)25-26-13-16(27)23-19(21-8-20)24-17(13)28/h2-7,13H,1H3,(H,29,30,31)(H2,21,23,24,27,28)",C19H13N7O5S2,,,,,,STSWYQLPKUGPRL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.050,259-474-4,55079-83-9,Etretin,"9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid",Cc1c(C)c(c(C)cc1OC)\\C=C\\C(\\C)=C\\C=C\\C(\\C)=C\\C(O)=O,Cc1c(C)c(c(C)cc1OC)\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O,"InChI=1/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)",C21H26O3,,,,,,IHUNBGSDBOWDMA-AQFIFDHZSA-N,,,,,,,,,,,
100.049.047,253-970-4,38492-81-8,"1,3-dichloro-6-(trifluoromethyl)phenanthren-9-methanol","[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]methanol",OCc1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,OCc1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C16H9Cl2F3O/c17-10-5-13-12-4-9(16(19,20)21)1-2-11(12)8(7-22)3-14(13)15(18)6-10/h1-6,22H,7H2",C16H9Cl2F3O,,,,,,ANDPCRISJIJFCB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.049,253-973-0,38495-30-6,"12,12-dimethyl-2,5,8,11,13,16,19,22-octaoxa-12-silatricosane","12,12-dimethyl-2,5,8,11,13,16,19,22-octaoxa-12-silatricosane",COCCOCCOCCO[Si](C)(C)OCCOCCOCCOC,COCCOCCOCCO[Si](C)(C)OCCOCCOCCOC,"InChI=1/C16H36O8Si/c1-17-5-7-19-9-11-21-13-15-23-25(3,4)24-16-14-22-12-10-20-8-6-18-2/h5-16H2,1-4H3",C16H36O8Si,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17735,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.049,ALODGFKBCVQWER-UHFFFAOYSA-N,,,,,,,,,,,
100.049.050,253-974-6,38510-43-9,Dimethyl(naphthylmethyl)tetradecylammonium chloride,"N,N-dimethyl-N-(1-naphthylmethyl)tetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12,"InChI=1/C27H44N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-28(2,3)24-26-21-18-20-25-19-15-16-22-27(25)26;/h15-16,18-22H,4-14,17,23-24H2,1-3H3;1H/q+1;/p-1",C27H44N.Cl,,,,,,WUWSFMWQEWIMKZ-UHFFFAOYSA-M,,,,,,,,,,,
100.049.052,253-976-7,38514-03-3,4-methyloctan-1-ol,4-methyloctan-1-ol,CCCCC(C)CCCO,CCCCC(C)CCCO,"InChI=1/C9H20O/c1-3-4-6-9(2)7-5-8-10/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,MWWKESKJRHQWEF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.053,253-977-2,38514-05-5,6-methyloctan-1-ol,6-methyloctan-1-ol,CCC(C)CCCCCO,CCC(C)CCCCCO,"InChI=1/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3",C9H20O,,,,,,WWRGKAMABZHMCN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.058,253-983-5,38521-29-8,"1,2-benzisothiazol-3(2H)-one, compound with ethane-1,2-diamine","1,2-benzisothiazol-3(2H)-one - ethane-1,2-diamine (1:1)",NCCN.O=C1NSc2ccccc12,NCCN.O=C1NSc2ccccc12,"InChI=1/C7H5NOS.C2H8N2/c9-7-5-3-1-2-4-6(5)10-8-7;3-1-2-4/h1-4H,(H,8,9);1-4H2",C7H5NOS.xC2H8N2,,,,,,APWRMKMCDGFVRT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.062,253-987-7,38527-73-0,"3-ethyl-3-(4-nitrophenyl)piperidine-2,6-dione","3-ethyl-3-(4-nitrophenyl)piperidine-2,6-dione",CCC1(CCC(=O)NC1=O)c2ccc(cc2)[N+](=O)[O-],CCC1(CCC(=O)NC1=O)c2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H14N2O4/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(6-4-9)15(18)19/h3-6H,2,7-8H2,1H3,(H,14,16,17)",C13H14N2O4,,,,,,ZHPKYOHYUWTINN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.065,253-990-3,38538-07-7,"Oxacyclohexadecane-2,13-dione 13-oxime","oxacyclohexadecane-2,13-dione 13-oxime",O=C1CCCCCCCCCCC(CCCO1)=NO,O=C1CCCCCCCCCCC(CCCO1)=NO,"InChI=1/C15H27NO3/c17-15-12-8-6-4-2-1-3-5-7-10-14(16-18)11-9-13-19-15/h18H,1-13H2",C15H27NO3,,,,,,ALVVVGFCZNOOFD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.066,253-991-9,38539-99-0,"17ß-hydroxy-2-(hydroxymethylene)-4,17-dimethylandrost-4-en-3-one","17-hydroxy-2-(hydroxymethylene)-4,17-dimethylandrost-4-en-3-one",C[C@]43CC(=CO)C(=O)C(\\C)=C4\\CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O,C[C@]43CC(=CO)C(=O)C(\C)=C4\CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O,"InChI=1/C22H32O3/c1-13-16-6-5-15-17(20(16,2)11-14(12-23)19(13)24)7-9-21(3)18(15)8-10-22(21,4)25/h12,15,17-18,23,25H,5-11H2,1-4H3",C22H32O3,,,,,,TTXFXDNREBBNTM-UCLRZGAKSA-N,,,,,,,,,,,
100.052.934,258-246-1,52899-68-0,4-carboxyphenyl 4-(hexyloxy)benzoate,4-{[4-(hexyloxy)benzoyl]oxy}benzoic acid,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)O,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)O,"InChI=1/C20H22O5/c1-2-3-4-5-14-24-17-10-8-16(9-11-17)20(23)25-18-12-6-15(7-13-18)19(21)22/h6-13H,2-5,14H2,1H3,(H,21,22)",C20H22O5,,,,,,VQLWORYWCJWAAP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.938,258-250-3,52907-07-0,"N,N'-(ethylene)bis[4,5-dibromohexahydro-3,6-methanophthalimide]","2,2'-ethane-1,2-diylbis(5,6-dibromohexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione)",BrC1C(Br)C2CC1C3C2C(=O)N(CCN4C(=O)C5C6CC(C(Br)C6Br)C5C4=O)C3=O,BrC1C(Br)C2CC1C3C2C(=O)N(CCN4C(=O)C5C6CC(C(Br)C6Br)C5C4=O)C3=O,"InChI=1/C20H20Br4N2O4/c21-13-5-3-6(14(13)22)10-9(5)17(27)25(18(10)28)1-2-26-19(29)11-7-4-8(12(11)20(26)30)16(24)15(7)23/h5-16H,1-4H2",C20H20Br4N2O4,,,,,,WOFYQUJNULCFLN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.952,258-266-0,52938-91-7,"2,4-dicyclopentylphenol","2,4-dicyclopentylphenol",Oc1ccc(cc1C2CCCC2)C3CCCC3,Oc1ccc(cc1C2CCCC2)C3CCCC3,"InChI=1/C16H22O/c17-16-10-9-14(12-5-1-2-6-12)11-15(16)13-7-3-4-8-13/h9-13,17H,1-8H2",C16H22O,,,,,,IGXUCIAXEPFJAX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.953,258-267-6,52941-80-7,"3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-o-tolyl]phthalide","3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1(3H)-one",CCN(CC)c1ccc(c(C)c1)C2(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)c4ccc(cc4N(C)C)N(C)C,CCN(CC)c1ccc(c(C)c1)C2(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)c4ccc(cc4N(C)C)N(C)C,"InChI=1/C29H31Cl4N3O2/c1-8-36(9-2)18-11-12-19(16(3)14-18)29(20-13-10-17(34(4)5)15-21(20)35(6)7)23-22(28(37)38-29)24(30)26(32)27(33)25(23)31/h10-15H,8-9H2,1-7H3",C29H31Cl4N3O2,,,,,,LZWSYWIGDLCLBE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.960,258-274-4,52955-40-5,2-bromo-3-methoxyacrylaldehyde,2-bromo-3-methoxyacrylaldehyde,CO\\C=C(\\Br)/C=O,CO\C=C(\Br)/C=O,"InChI=1/C4H5BrO2/c1-7-3-4(5)2-6/h2-3H,1H3",C4H5BrO2,,,,,,IKAXVYVALZRMES-ONEGZZNKSA-N,,,,,,,,,,,
100.049.965,254-980-1,40580-83-4,1-methyl-ß-carbolin-7-ol hydrochloride monohydrate,1-methyl-9H-beta-carbolin-7-ol hydrochloride hydrate,O.Cl.Cc1nccc2c3ccc(O)cc3[nH]c12,O.Cl.Cc1nccc2c3ccc(O)cc3[nH]c12,"InChI=1/C12H10N2O.ClH.H2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;;/h2-6,14-15H,1H3;1H;1H2",C12H10N2O.ClH,,,,,,INUGWPNCFPOEQX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.970,254-985-9,40589-08-0,"Pentan-2-ol, triester with boric acid",tris(1-methylbutyl) borate,CCCC(C)OB(OC(C)CCC)OC(C)CCC,CCCC(C)OB(OC(C)CCC)OC(C)CCC,"InChI=1/C15H33BO3/c1-7-10-13(4)17-16(18-14(5)11-8-2)19-15(6)12-9-3/h13-15H,7-12H2,1-6H3",C15H33BO3,,,,,,GDTULZWIULVWTC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.971,254-986-4,40589-14-8,2-methylnonan-1-ol,2-methylnonan-1-ol,CCCCCCCC(C)CO,CCCCCCCC(C)CO,"InChI=1/C10H22O/c1-3-4-5-6-7-8-10(2)9-11/h10-11H,3-9H2,1-2H3",C10H22O,,,,,,BEGNRPGEHZBNKK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.977,254-993-2,40596-69-8,"Isopropyl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate","isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate",COC(C)(C)CCCC(C)C\\C=C\\C(=C\\C(=O)OC(C)C)\\C,COC(C)(C)CCCC(C)C\C=C\C(=C\C(=O)OC(C)C)\C,"InChI=1/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3",C19H34O3,,,,,,NFGXHKASABOEEW-LDRANXPESA-N,,,,,,,,,,,
100.049.978,254-994-8,40596-76-7,"4,8-dimethylnon-7-en-2-ol","4,8-dimethylnon-7-en-2-ol",CC(O)CC(C)CCC=C(C)C,CC(O)CC(C)CCC=C(C)C,"InChI=1/C11H22O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,10-12H,5,7-8H2,1-4H3",C11H22O,,,,,,CUIWFRIESJGBPX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.981,254-997-4,40604-49-7,6-chloro-2-naphthol,6-chloro-2-naphthol,Oc1ccc2cc(Cl)ccc2c1,Oc1ccc2cc(Cl)ccc2c1,"InChI=1/C10H7ClO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H",C10H7ClO,,,,,,CNLYNLSYCPWZQY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.982,254-999-5,40607-48-5,"3,7-dimethyloct-2-en-1-ol","3,7-dimethyloct-2-en-1-ol",CC(C)CCCC(C)=CCO,CC(C)CCCC(C)=CCO,"InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h7,9,11H,4-6,8H2,1-3H3",C10H20O,,,,,,JNAWJUOCXKIHHG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.988,255-005-2,40618-31-3,"N,N'-(2,5-dichloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]","N,N'-(2,5-dichloro-1,4-phenylene)bis{4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthamide}",Clc7ccc(Cl)cc7N=Nc5c6ccccc6cc(C(=O)Nc4cc(Cl)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)ccc2Cl)c3O)cc4Cl)c5O,Clc7ccc(Cl)cc7N=Nc5c6ccccc6cc(C(=O)Nc4cc(Cl)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)ccc2Cl)c3O)cc4Cl)c5O,"InChI=1/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,53-54H,(H,47,55)(H,48,56)",C40H22Cl6N6O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5670,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.988,BNOJIFCMRRONPS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.990,255-007-3,40626-24-2,"(R)-3-formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid","3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid",CC1(C)SC(C)(C)N(C=O)[C@@H]1C(=O)O,CC1(C)SC(C)(C)N(C=O)[C@@H]1C(=O)O,"InChI=1/C9H15NO3S/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)",C9H15NO3S,,,,,,QEIKJZZSMZXSAI-ZCFIWIBFSA-N,,,,,,,,,,,
100.049.624,254-606-7,39719-87-4,"N-[4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]sulphonyl]phenyl]acetamide","N-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide",CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnc(C)s2,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnc(C)s2,"InChI=1/C11H12N4O3S2/c1-7(16)12-9-3-5-10(6-4-9)20(17,18)15-11-14-13-8(2)19-11/h3-6H,1-2H3,(H,12,16)(H,14,15)",C11H12N4O3S2,,,,,,PMDSJEXWWAYJPT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.125,256-256-0,46155-70-8,"3,5-dibromosalicylhydrazide","3,5-dibromo-2-hydroxybenzohydrazide",NNC(=O)c1cc(Br)cc(Br)c1O,NNC(=O)c1cc(Br)cc(Br)c1O,"InChI=1/C7H6Br2N2O2/c8-3-1-4(7(13)11-10)6(12)5(9)2-3/h1-2,12H,10H2,(H,11,13)",C7H6Br2N2O2,,,,,,OYKIUUFGGBFAKC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.129,256-260-2,46235-93-2,2-(3-oxazolidinyl)ethyl methacrylate,"2-(1,3-oxazolidin-3-yl)ethyl methacrylate",CC(=C)C(=O)OCCN1CCOC1,CC(=C)C(=O)OCCN1CCOC1,"InChI=1/C9H15NO3/c1-8(2)9(11)13-6-4-10-3-5-12-7-10/h1,3-7H2,2H3",C9H15NO3,,,,,,FGERRMPOTZKDOB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.131,256-262-3,46319-71-5,3-phenylbutyl acetate,3-phenylbutyl acetate,CC(CCOC(=O)C)c1ccccc1,CC(CCOC(=O)C)c1ccccc1,"InChI=1/C12H16O2/c1-10(8-9-14-11(2)13)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3",C12H16O2,,,,,,DCQSJWISXFTJAP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.132,256-263-9,46341-50-8,Cyclohexyl hydrogen -2-butenedioate,4-(cyclohexyloxy)-4-oxobut-2-enoic acid,O=C(OC1CCCCC1)C=CC(O)=O,O=C(OC1CCCCC1)C=CC(O)=O,"InChI=1/C10H14O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)",C10H14O4,,,,,,ZMQWRASVUXJXGM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.135,256-267-0,46383-55-5,5-oxo-1-(trifluoroacetyl)proline,5-oxo-1-(trifluoroacetyl)proline,OC(=O)C1CCC(=O)N1C(=O)C(F)(F)F,OC(=O)C1CCC(=O)N1C(=O)C(F)(F)F,"InChI=1/C7H6F3NO4/c8-7(9,10)6(15)11-3(5(13)14)1-2-4(11)12/h3H,1-2H2,(H,13,14)",C7H6F3NO4,,,,,,OACPNTTXGYKMDU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.136,256-268-6,46383-56-6,5-oxo-1-(trifluoroacetyl)-L-proline,5-oxo-1-(trifluoroacetyl)-L-proline,OC(=O)[C@@H]1CCC(=O)N1C(=O)C(F)(F)F,OC(=O)[C@@H]1CCC(=O)N1C(=O)C(F)(F)F,"InChI=1/C7H6F3NO4/c8-7(9,10)6(15)11-3(5(13)14)1-2-4(11)12/h3H,1-2H2,(H,13,14)",C7H6F3NO4,,,,,,OACPNTTXGYKMDU-VKHMYHEASA-N,,,,,,,,,,,
100.071.554,278-732-7,77595-20-1,"3,4-dihydro-7-nitro-2H-pyrimido[2,1-b]benzothiazole hydrochloride","7-nitro-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole hydrochloride",Cl.[O-][N+](=O)c1ccc2SC3=NCCCN3c2c1,Cl.[O-][N+](=O)c1ccc2SC3=NCCCN3c2c1,"InChI=1/C10H9N3O2S.ClH/c14-13(15)7-2-3-9-8(6-7)12-5-1-4-11-10(12)16-9;/h2-3,6H,1,4-5H2;1H",C10H9N3O2S.ClH,,,,,,GGDRKHGTDGUDRS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.555,278-733-2,77614-49-4,4-phenylpentan-2-ol,4-phenylpentan-2-ol,CC(O)CC(C)c1ccccc1,CC(O)CC(C)c1ccccc1,"InChI=1/C11H16O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3",C11H16O,,,,,,LPZYYWRJFDZTJI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.558,278-736-9,77635-32-6,5-dodecyl-2-hydroxybenzaldehyde oxime,5-dodecyl-2-hydroxybenzaldehyde oxime,CCCCCCCCCCCCc1ccc(O)c(\\C=N\\O)c1,CCCCCCCCCCCCc1ccc(O)c(\C=N\O)c1,"InChI=1/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20-22/h13-16,21-22H,2-12H2,1H3",C19H31NO2,,,,,,UWGTVLYQSJNUFP-CAPFRKAQSA-N,,,,,,,,,,,
100.071.559,278-737-4,77638-04-1,"2-ethyl-2-(hydroxymethyl)-1,3-propanediyl bis[(R)-12-hydroxyoleate]",2-(hydroxymethyl)-2-{[(12-hydroxyoctadec-9-enoyl)oxy]methyl}butyl 12-hydroxyoctadec-9-enoate (non-preferred name),CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C42H78O7/c1-4-7-9-23-29-38(44)31-25-19-15-11-13-17-21-27-33-40(46)48-36-42(6-3,35-43)37-49-41(47)34-28-22-18-14-12-16-20-26-32-39(45)30-24-10-8-5-2/h19-20,25-26,38-39,43-45H,4-18,21-24,27-37H2,1-3H3",C42H78O7,,,,,,IHIWAJQGQICZBG-CSOMOIBOSA-N,,,,,,,,,,,
100.071.570,278-750-5,77691-34-0,5-chloro-3-nitrosalicyl alcohol,4-chloro-2-(hydroxymethyl)-6-nitrophenol,OCc1cc(Cl)cc(c1O)[N+](=O)[O-],OCc1cc(Cl)cc(c1O)[N+](=O)[O-],"InChI=1/C7H6ClNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-2,10-11H,3H2",C7H6ClNO4,,,,,,GPKWEXOAODIYBU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.865,280-174-4,83044-92-2,"8-acetyl-3-tetradecyl-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","8-acetyl-7,7,9,9-tetramethyl-3-tetradecyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",CCCCCCCCCCCCCCN1C(=O)NC2(CC(C)(C)N(C(=O)C)C(C)(C)C2)C1=O,CCCCCCCCCCCCCCN1C(=O)NC2(CC(C)(C)N(C(=O)C)C(C)(C)C2)C1=O,"InChI=1/C27H49N3O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-23(32)27(28-24(29)33)20-25(3,4)30(22(2)31)26(5,6)21-27/h7-21H2,1-6H3,(H,28,33)",C27H49N3O3,,,,,,IGNCWWUPXNNJLF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.724,282-223-5,84145-00-6,"Sodium 2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylate","sodium 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylate",[Na+].Oc1ccc(cc1C(=O)[O-])c2ccc(F)cc2F,[Na+].Oc1ccc(cc1C(=O)[O-])c2ccc(F)cc2F,"InChI=1/C13H8F2O3.Na/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;/h1-6,16H,(H,17,18);/q;+1/p-1",C13H8F2O3.Na,,,,,,TWNIMRJXRIWUKA-UHFFFAOYSA-M,,,,,,,,,,,
100.074.728,282-227-7,84145-04-0,"[1,1'-biphenyl]-2-ol, compound with 2-aminoethanol (1:1)",2-aminoethanol - biphenyl-2-ol (1:1),NCCO.Oc1ccccc1c2ccccc2,NCCO.Oc1ccccc1c2ccccc2,"InChI=1/C12H10O.C2H7NO/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3-1-2-4/h1-9,13H;4H,1-3H2",C12H10O.C2H7NO,,,,,,QXLZLOIBVMCQTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.731,282-230-3,84145-07-3,"Oleic acid, compound with hexadecylamine (1:1)",octadec-9-enoic acid - hexadecan-1-amine (1:1),CCCCCCCCCCCCCCCCN.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCCCCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C18H34O2.C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-17H2,1H3",C18H34O2.C16H35N,,,,,,XUNJSXOANRPPFA-KVVVOXFISA-N,,,,,,,,,,,
100.074.733,282-232-4,84145-09-5,"N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine 2-hydroxypropane-1,2,3-tricarboxylate","N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",NCCNCCNCCNCCN.OC(=O)CC(O)(CC(=O)O)C(=O)O,NCCNCCNCCNCCN.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C8H23N5.C6H8O7/c9-1-3-11-5-7-13-8-6-12-4-2-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h11-13H,1-10H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C8H23N5.xC6H8O7,,,,,,IBLGZCWDFAZBCR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.739,282-239-2,84145-15-3,Ethylene bis[(decylthio)acetate],"ethane-1,2-diyl bis[(decylsulfanyl)acetate]",CCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCC,CCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCC,"InChI=1/C26H50O4S2/c1-3-5-7-9-11-13-15-17-21-31-23-25(27)29-19-20-30-26(28)24-32-22-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3",C26H50O4S2,,,,,,JLVULRDKZPCTOP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.740,282-240-8,84145-16-4,"2-[[[(decylthio)acetyl]oxy]methyl]-2-ethyl-1,3-propanediyl bis[(decylthio)acetate]","2,2-bis{[2-(decylsulfanyl)acetoxy]methyl}butyl (decylsulfanyl)acetate (non-preferred name)",CCCCCCCCCCSCC(=O)OCC(CC)(COC(=O)CSCCCCCCCCCC)COC(=O)CSCCCCCCCCCC,CCCCCCCCCCSCC(=O)OCC(CC)(COC(=O)CSCCCCCCCCCC)COC(=O)CSCCCCCCCCCC,"InChI=1/C42H80O6S3/c1-5-9-12-15-18-21-24-27-30-49-33-39(43)46-36-42(8-4,37-47-40(44)34-50-31-28-25-22-19-16-13-10-6-2)38-48-41(45)35-51-32-29-26-23-20-17-14-11-7-3/h5-38H2,1-4H3",C42H80O6S3,,,,,,WUAYEQCHCBAXFU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.537,285-321-6,85068-63-9,Ammonium sodium 6-acetamido-4-hydroxy-3-[(3-phosphonatophenyl)azo]naphthalene-2-sulphonate,-,[NH4+].[Na+].O=P([O-])([O-])c3cc(N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)ccc3,[NH4+].[Na+].O=P([O-])([O-])c3cc(N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)ccc3,"InChI=1/C18H16N3O8PS.H3N.Na/c1-10(22)19-12-6-5-11-7-16(31(27,28)29)17(18(23)15(11)9-12)21-20-13-3-2-4-14(8-13)30(24,25)26;;/h2-9,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29);1H3;/q;;+1/p-2",C18H16N3O8PS.xH3N.xNa,,,,,,ZVIVARYJWZUNAY-UHFFFAOYSA-L,,,,,,,,,,,
100.054.052,259-477-0,55089-03-7,"2,2'-oxybis[5,5-dimethyl-1,3,2-dioxaborinane]","2,2'-oxybis(5,5-dimethyl-1,3,2-dioxaborinane)",CC1(C)COB(OB2OCC(C)(C)CO2)OC1,CC1(C)COB(OB2OCC(C)(C)CO2)OC1,"InChI=1/C10H20B2O5/c1-9(2)5-13-11(14-6-9)17-12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3",C10H20B2O5,,,,,,KCNYZUUWSCEPTH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.058,259-483-3,55112-92-0,"6-(7-chloro-1,8-naphthyridin-2-yl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one","6-(7-chloro-1,8-naphthyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one",OC1N(C(=O)c2nccnc12)c3ccc4ccc(Cl)nc4n3,OC1N(C(=O)c2nccnc12)c3ccc4ccc(Cl)nc4n3,"InChI=1/C14H8ClN5O2/c15-8-3-1-7-2-4-9(19-12(7)18-8)20-13(21)10-11(14(20)22)17-6-5-16-10/h1-6,13,21H",C14H8ClN5O2,,,,,,MLZSNSFBRPLAPB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.061,259-487-5,55117-15-2,"Alpha,2-dichloro-6-fluorotoluene",1-chloro-2-(chloromethyl)-3-fluorobenzene,Fc1cccc(Cl)c1CCl,Fc1cccc(Cl)c1CCl,"InChI=1/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2",C7H5Cl2F,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6762,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.061,MJGOLNNLNQQIHR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.068,259-494-3,55135-58-5,Barium maleate (1:2),barium maleate (1:2),[Ba].[O-]C(=O)\\C=C/C(=O)[O-].[O-]C(=O)\\C=C/C(=O)[O-],[Ba].[O-]C(=O)\C=C/C(=O)[O-].[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/2C4H4O4.Ba/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);/q;;+2/p-4",C4H4O4.1/2Ba,,,,,,WMGBWNXSQAFPOA-PAMPIZDHSA-J,,,,,,,,,,,
100.054.071,259-498-5,55142-85-3,Ticlopidine,"5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine",Clc1ccccc1CN2CCc3sccc3C2,Clc1ccccc1CN2CCc3sccc3C2,"InChI=1/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2",C14H14ClNS,,,,,,PHWBOXQYWZNQIN-UHFFFAOYSA-N,Positive/Negative,EQ302901|EQ302902|EQ302903|EQ302904|EQ302905|EQ302906,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,264.0609:154.0418:125.0149|154.0419:264.0609:125.0152|125.0153:154.0419:264.0609|125.0153:154.0418:89.0384|125.0153:154.0419:89.0385|125.0153:89.0385:98.9996,Eawag,EQ302951|EQ302952|EQ302953,[M-H]-,HCD15|HCD30|HCD45,130.0172:244.0275:174.024|130.0172:244.0274:216.0383|130.0172:244.0274:148.0277,Eawag
100.054.073,259-500-4,55145-34-1,2-ethylbutyl 2-ethylbutyrate,2-ethylbutyl 2-ethylbutanoate,CCC(CC)COC(=O)C(CC)CC,CCC(CC)COC(=O)C(CC)CC,"InChI=1/C12H24O2/c1-5-10(6-2)9-14-12(13)11(7-3)8-4/h10-11H,5-9H2,1-4H3",C12H24O2,,,,,,RXQJGYAUTJRBMH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.074,259-502-5,55150-29-3,2-ethoxynaphthalene-1-carbonyl chloride,2-ethoxy-1-naphthoyl chloride,CCOc1ccc2ccccc2c1C(=O)Cl,CCOc1ccc2ccccc2c1C(=O)Cl,"InChI=1/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3",C13H11ClO2,,,,,,ZRVFFIXOCFUHDA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.076,259-504-6,55154-36-4,1-amino-4-hydroxy-2-[4-(2-phenoxyethoxy)phenoxy]anthraquinone,"1-amino-4-hydroxy-2-[4-(2-phenoxyethoxy)phenoxy]-9,10-anthraquinone",Nc1c(Oc2ccc(OCCOc3ccccc3)cc2)cc(O)c4C(=O)c5ccccc5C(=O)c14,Nc1c(Oc2ccc(OCCOc3ccccc3)cc2)cc(O)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C28H21NO6/c29-26-23(16-22(30)24-25(26)28(32)21-9-5-4-8-20(21)27(24)31)35-19-12-10-18(11-13-19)34-15-14-33-17-6-2-1-3-7-17/h1-13,16,30H,14-15,29H2",C28H21NO6,,,,,,XRESJEKELBUBIL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.081,259-509-3,55172-98-0,Barium neodecanoate,"barium bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)O[Ba]OC(=O)CC(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)CC(=O)O[Ba]OC(=O)CC(C)(C)CC(C)(C)C,"InChI=1/2C10H20O2.Ba/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Ba,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11875,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.081,ROSHGJWNZDDJFF-UHFFFAOYSA-L,,,,,,,,,,,
100.054.085,259-514-0,55184-48-0,Sodium 4-(1-methylethyl)naphthalene-1-sulphonate,sodium 4-isopropylnaphthalene-1-sulfonate,[Na+].CC(C)c1ccc(c2ccccc12)S(=O)(=O)[O-],[Na+].CC(C)c1ccc(c2ccccc12)S(=O)(=O)[O-],"InChI=1/C13H14O3S.Na/c1-9(2)10-7-8-13(17(14,15)16)12-6-4-3-5-11(10)12;/h3-9H,1-2H3,(H,14,15,16);/q;+1/p-1",C13H14O3S.Na,,,,,,ANSCQMQJAJIABZ-UHFFFAOYSA-M,,,,,,,,,,,
100.047.757,252-548-7,35403-67-9,"4-tert-butyl-1,2,4-triazolidine-3,5-dione","4-tert-butyl-1,2,4-triazolidine-3,5-dione",CC(C)(C)N1C(=O)NNC1=O,CC(C)(C)N1C(=O)NNC1=O,"InChI=1/C6H11N3O2/c1-6(2,3)9-4(10)7-8-5(9)11/h1-3H3,(H,7,10)(H,8,11)",C6H11N3O2,,,,,,OYNMWNWYHCJZHL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.762,252-553-4,35416-42-3,"Phenethyl hexa-2,4-dienoate","2-phenylethyl hexa-2,4-dienoate",CC=CC=CC(=O)OCCc1ccccc1,CC=CC=CC(=O)OCCc1ccccc1,"InChI=1/C14H16O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h2-10H,11-12H2,1H3",C14H16O2,,,,,,PPZYQYDDSJRELL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.764,252-556-0,35430-90-1,"N,N'-dicyanosebacamide","N,N'-dicyanodecanediamide",O=C(CCCCCCCCC(=O)NC#N)NC#N,O=C(CCCCCCCCC(=O)NC#N)NC#N,"InChI=1/C12H18N4O2/c13-9-15-11(17)7-5-3-1-2-4-6-8-12(18)16-10-14/h1-8H2,(H,15,17)(H,16,18)",C12H18N4O2,,,,,,OZZMKKRNGGDMPC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.766,252-558-1,35435-21-3,"Triethoxy(2,4,4-trimethylpentyl)silane","triethoxy(2,4,4-trimethylpentyl)silane",CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC,CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC,"InChI=1/C14H32O3Si/c1-8-15-18(16-9-2,17-10-3)12-13(4)11-14(5,6)7/h13H,8-12H2,1-7H3",C14H32O3Si,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16000,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.766,UWZSHGZRSZICIW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.768,252-560-2,35439-70-4,"Disodium 2-amino-5-hydroxynaphthalene-1,7-disulphonate","disodium 2-amino-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.2Na/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",C10H9NO7S2.2Na,,,,,,HGDZBCJUCXXHOT-UHFFFAOYSA-L,,,,,,,,,,,
100.052.962,258-277-0,52956-82-8,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl acrylate",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C18H7F27O2/c1-2-5(46)47-4-3-6(19,20)8(22,23)10(26,27)12(30,31)14(34,35)16(38,39)15(36,37)13(32,33)11(28,29)9(24,25)7(21,17(40,41)42)18(43,44)45/h2H,1,3-4H2",C18H7F27O2,,,,,,YVLOLDWQUHHGGU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.290,255-337-8,41375-88-6,"Dihydro-3-isooctadecylfuran-2,5-dione","3-(16-methylheptadecyl)dihydrofuran-2,5-dione",CC(C)CCCCCCCCCCCCCCCC1CC(=O)OC1=O,CC(C)CCCCCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1/C22H40O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h19-20H,3-18H2,1-2H3",C22H40O3,,,,,,XRAJHWOOOMPDFP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.292,255-339-9,41378-27-2,N-[3-(ethylamino)phenyl]acetamide,N-[3-(ethylamino)phenyl]acetamide,CCNc1cccc(NC(=O)C)c1,CCNc1cccc(NC(=O)C)c1,"InChI=1/C10H14N2O/c1-3-11-9-5-4-6-10(7-9)12-8(2)13/h4-7,11H,3H2,1-2H3,(H,12,13)",C10H14N2O,,,,,,QVXMQKVVQBXQPK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.293,255-340-4,41378-34-1,2-(3-amino-4-hydroxybenzoyl)benzoic acid,2-(3-amino-4-hydroxybenzoyl)benzoic acid,Nc1cc(ccc1O)C(=O)c2ccccc2C(=O)O,Nc1cc(ccc1O)C(=O)c2ccccc2C(=O)O,"InChI=1/C14H11NO4/c15-11-7-8(5-6-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7,16H,15H2,(H,18,19)",C14H11NO4,,,,,,WNAKJMCFTKLYCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.298,255-346-7,41388-01-6,"1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione","1-[(2,4-dinitrophenyl)amino]-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione",CC1=CC(C)(C)NC(=S)N1Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],CC1=CC(C)(C)NC(=S)N1Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C13H15N5O4S/c1-8-7-13(2,3)14-12(23)16(8)15-10-5-4-9(17(19)20)6-11(10)18(21)22/h4-7,15H,1-3H3,(H,14,23)",C13H15N5O4S,,,,,,FWWYONOMBQNHDI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.308,255-357-7,41423-92-1,"Trisodium 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Nc4nc(Nc3cc(cc2cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,[Na+].[Na+].[Na+].Nc4nc(Nc3cc(cc2cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,"InChI=1/C19H14ClN7O10S3.3Na/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34;;;/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H3,21,22,23,24,25);;;/q;3*+1/p-3",C19H14ClN7O10S3.3Na,,,,,,HQWVOXVYBJWDLX-UHFFFAOYSA-K,,,,,,,,,,,
100.050.310,255-359-8,41425-46-1,3-hydroxy-4-[[2-(methoxycarbonyl)phenyl]azo]-2-naphthoic acid,3-hydroxy-4-{[2-(methoxycarbonyl)phenyl]diazenyl}-2-naphthoic acid,COC(=O)c3ccccc3N=Nc1c2ccccc2cc(C(O)=O)c1O,COC(=O)c3ccccc3N=Nc1c2ccccc2cc(C(O)=O)c1O,"InChI=1/C19H14N2O5/c1-26-19(25)13-8-4-5-9-15(13)20-21-16-12-7-3-2-6-11(12)10-14(17(16)22)18(23)24/h2-10,22H,1H3,(H,23,24)",C19H14N2O5,,,,,,NFXGRIHAQBMNIW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.312,255-361-9,41427-13-8,Sodium 4-aminostilbene-2-sulphonate,sodium 5-amino-2-(2-phenylvinyl)benzenesulfonate,[Na+].Nc1ccc(\\C=C\\c2ccccc2)c(c1)S(=O)(=O)[O-],[Na+].Nc1ccc(\C=C\c2ccccc2)c(c1)S(=O)(=O)[O-],"InChI=1/C14H13NO3S.Na/c15-13-9-8-12(14(10-13)19(16,17)18)7-6-11-4-2-1-3-5-11;/h1-10H,15H2,(H,16,17,18);/q;+1/p-1",C14H13NO3S.Na,,,,,,OMWMTCXUKOXCDJ-UHDJGPCESA-M,,,,,,,,,,,
100.050.327,255-378-1,41453-78-5,"3,3,14,14-tetramethoxy-2,15-dioxa-7,8,9,10-tetrathia-3,14-disilahexadecane","3,3,14,14-tetramethoxy-2,15-dioxa-7,8,9,10-tetrathia-3,14-disilahexadecane",CO[Si](CCCSSSSCCC[Si](OC)(OC)OC)(OC)OC,CO[Si](CCCSSSSCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C12H30O6S4Si2/c1-13-23(14-2,15-3)11-7-9-19-21-22-20-10-8-12-24(16-4,17-5)18-6/h7-12H2,1-6H3",C12H30O6S4Si2,,,,,,JTTSZDBCLAKKAY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.329,255-380-2,41458-65-5,"6-amino-2,4-xylenol","2-amino-4,6-dimethylphenol",Cc1cc(C)c(O)c(N)c1,Cc1cc(C)c(O)c(N)c1,"InChI=1/C8H11NO/c1-5-3-6(2)8(10)7(9)4-5/h3-4,10H,9H2,1-2H3",C8H11NO,,,,,,GISWNAMJAQRJPC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.330,255-381-8,41458-73-5,4-[(methylamino)acetyl]morpholine,N-methyl-2-morpholin-4-yl-2-oxoethanamine,CNCC(=O)N1CCOCC1,CNCC(=O)N1CCOCC1,"InChI=1/C7H14N2O2/c1-8-6-7(10)9-2-4-11-5-3-9/h8H,2-6H2,1H3",C7H14N2O2,,,,,,BHUKCEYZKFAGEY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.090,257-317-4,51608-13-0,"cis-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethylidene)naphthalene","3-isopropylidene-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene",C[C@@H]1CCC=C2CCC(=C(C)C)C[C@@]12C,C[C@@H]1CCC=C2CCC(=C(C)C)C[C@@]12C,"InChI=1/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12H,5-6,8-10H2,1-4H3",C15H24,,,,,,USADAYYQBBHRCI-DOMZBBRYSA-N,,,,,,,,,,,
100.052.093,257-321-6,51618-29-2,6-chlorobenzothiazole-2-thiol,"6-chloro-1,3-benzothiazole-2-thiol",Sc1nc2ccc(Cl)cc2s1,Sc1nc2ccc(Cl)cc2s1,"InChI=1/C7H4ClNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)",C7H4ClNS2,,,,,,CLHLOHAQAADLRA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.137,256-269-1,46409-23-8,"N,N-2-diallyl-4,6-dichloro-1,3,5-triazin-2-amine","N,N-diallyl-4,6-dichloro-1,3,5-triazin-2-amine",Clc1nc(Cl)nc(n1)N(CC=C)CC=C,Clc1nc(Cl)nc(n1)N(CC=C)CC=C,"InChI=1/C9H10Cl2N4/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2",C9H10Cl2N4,,,,,,HZFDWUMFTMMDKS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.138,256-270-7,46460-24-6,Ethyl (±)-a-aminobenzenebutyrate,ethyl 2-amino-4-phenylbutanoate,CCOC(=O)C(N)CCc1ccccc1,CCOC(=O)C(N)CCc1ccccc1,"InChI=1/C12H17NO2/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3",C12H17NO2,,,,,,WFLQXECQLHZKMV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.139,256-271-2,46495-66-3,"1-chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene","1-chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene",Fc1c(F)c(N=C=O)c(F)c(N=C=O)c1Cl,Fc1c(F)c(N=C=O)c(F)c(N=C=O)c1Cl,InChI=1/C8ClF3N2O2/c9-3-4(10)5(11)8(14-2-16)6(12)7(3)13-1-15,C8ClF3N2O2,,,,,,RDSWPXZXPBCUPU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.142,256-274-9,46506-88-1,"Sodium 3,5-dinitrosalicylate","sodium 2-hydroxy-3,5-dinitrobenzoate",[Na+].Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-],[Na+].Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-],"InChI=1/C7H4N2O7.Na/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16;/h1-2,10H,(H,11,12);/q;+1/p-1",C7H4N2O7.Na,,,,,,VKSMGADJZIODFU-UHFFFAOYSA-M,,,,,,,,,,,
100.051.145,256-278-0,46765-03-1,"m,m'-sulphonylbisphenol","3,3'-sulfonyldiphenol",Oc1cccc(c1)S(=O)(=O)c2cccc(O)c2,Oc1cccc(c1)S(=O)(=O)c2cccc(O)c2,"InChI=1/C12H10O4S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8,13-14H",C12H10O4S,,,,,,OQYYLPLRBBDFLA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.146,256-279-6,46813-44-9,5-chloro-2-(4-chlorophenoxy)benzenediazonium,5-chloro-2-(4-chlorophenoxy)benzenediazonium,Clc1ccc(Oc2ccc(Cl)cc2[N+]#N)cc1,Clc1ccc(Oc2ccc(Cl)cc2[N+]#N)cc1,InChI=1/C12H7Cl2N2O/c13-8-1-4-10(5-2-8)17-12-6-3-9(14)7-11(12)16-15/h1-7H/q+1,C12H7Cl2N2O,,,,,,ISYDNTIOEUUVFL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.149,256-282-2,46827-90-1,3-phenyl-N-[(vinyloxy)carbonyl]-L-alanine,N-[(vinyloxy)carbonyl]phenylalanine,OC(=O)[C@H](Cc1ccccc1)NC(=O)OC=C,OC(=O)[C@H](Cc1ccccc1)NC(=O)OC=C,"InChI=1/C12H13NO4/c1-2-17-12(16)13-10(11(14)15)8-9-6-4-3-5-7-9/h2-7,10H,1,8H2,(H,13,16)(H,14,15)",C12H13NO4,,,,,,LMKGVUJKILHRCE-JTQLQIEISA-N,,,,,,,,,,,
100.051.151,256-284-3,46857-11-8,5-oxo-1-(phenylsulphonyl)-L-proline,5-oxo-1-(phenylsulfonyl)-L-proline,OC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c2ccccc2,OC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c2ccccc2,"InChI=1/C11H11NO5S/c13-10-7-6-9(11(14)15)12(10)18(16,17)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)",C11H11NO5S,,,,,,ZVZRSYRJNCFXSL-VIFPVBQESA-N,,,,,,,,,,,
100.051.153,256-286-4,46895-13-0,[(6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetic acid,[(6-hydroxy-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid,CC1=CC(=O)Oc2cc(OCC(=O)O)c(O)cc12,CC1=CC(=O)Oc2cc(OCC(=O)O)c(O)cc12,"InChI=1/C12H10O6/c1-6-2-12(16)18-9-4-10(17-5-11(14)15)8(13)3-7(6)9/h2-4,13H,5H2,1H3,(H,14,15)",C12H10O6,,,,,,PLEFEZPTTKWFDT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.164,256-299-5,47148-57-2,"(±)-1-(tert-butylamino)-3-[[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol","1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol",CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,"InChI=1/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3",C13H24N4O3S,,,,,,BLJRIMJGRPQVNF-UHFFFAOYSA-N,Positive,EQ321001|EQ321002|EQ321003|EQ321004|EQ321005|EQ321006|EQ321007|EQ321008|EQ321009,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,317.1642:261.1017:74.0598|261.1015:74.06:317.1643|74.06:244.0751:188.0488|74.06:188.0489:56.0495|74.06:56.0495:144.0226|74.06:56.0495:113.0709|56.0495:69.0447:74.0059|56.0495:69.0447:74.0059|56.0495:69.0447:59.9903,Eawag,,,,,
100.054.093,259-522-4,55195-02-3,sec-butyl stearate,sec-butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,"InChI=1/C22H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21(3)5-2/h21H,4-20H2,1-3H3",C22H44O2,,,,,,OMARWWFUVFAGSK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.095,259-525-0,55195-31-8,(S)-2-methylbutyl octanoate,2-methylbutyl octanoate,CCCCCCCC(=O)OC[C@@H](C)CC,CCCCCCCC(=O)OC[C@@H](C)CC,"InChI=1/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3",C13H26O2,,,,,,XZLBJDGPIWDVIJ-LBPRGKRZSA-N,,,,,,,,,,,
100.054.097,259-527-1,55200-89-0,Copper hydroxide sulfate,-,[OH-].[Cu+].[O-]S(=O)(=O)[O-],[OH-].[Cu+].[O-]S(=O)(=O)[O-],"InChI=1/Cu.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+1;;/p-3",-,,,,,,VZWVUKKQEAWAIE-UHFFFAOYSA-K,,,,,,,,,,,
100.054.099,259-529-2,55203-59-3,"2,3,3-trimethyl-5-(phenylsulphonyl)-3H-indole","2,3,3-trimethyl-5-(phenylsulfonyl)-3H-indole",CC1=Nc2ccc(cc2C1(C)C)S(=O)(=O)c3ccccc3,CC1=Nc2ccc(cc2C1(C)C)S(=O)(=O)c3ccccc3,"InChI=1/C17H17NO2S/c1-12-17(2,3)15-11-14(9-10-16(15)18-12)21(19,20)13-7-5-4-6-8-13/h4-11H,1-3H3",C17H17NO2S,,,,,,XMZRGAIXGAXJBU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.101,259-531-3,55203-66-2,"[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulphonyl)-2H-indol-2-ylidene]acetaldehyde","[1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-1,3-dihydro-2H-indol-2-ylidene]acetaldehyde",O=S(=O)(c1cc2c(cc1)N(CC)C(=CC=O)C2(C)C)c3ccccc3,O=S(=O)(c1cc2c(cc1)N(CC)C(=CC=O)C2(C)C)c3ccccc3,"InChI=1/C20H21NO3S/c1-4-21-18-11-10-16(25(23,24)15-8-6-5-7-9-15)14-17(18)20(2,3)19(21)12-13-22/h5-14H,4H2,1-3H3",C20H21NO3S,,,,,,LJIRAJMFCLSDGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.540,285-324-2,85068-66-2,"Tri[1,3,5-triazine-2,4,6-triamine] diphosphate","1,3,5-triazine-2,4,6-triamine phosphate (3:2)",Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.Nc3nc(N)nc(N)n3.OP(=O)(O)O.OP(=O)(O)O,Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.Nc3nc(N)nc(N)n3.OP(=O)(O)O.OP(=O)(O)O,"InChI=1/3C3H6N6.2H3O4P/c3*4-1-7-2(5)9-3(6)8-1;2*1-5(2,3)4/h3*(H6,4,5,6,7,8,9);2*(H3,1,2,3,4)",C3H6N6.2/3H3O4P,,,,,,XKFAQICTCZOMFX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.542,285-326-3,85068-68-4,2-[[3-(dodecyloxy)propyl][2-(2-hydroxyethoxy)ethyl]amino]ethanol,2-{[3-(dodecyloxy)propyl][2-(2-hydroxyethoxy)ethyl]amino}ethanol,CCCCCCCCCCCCOCCCN(CCO)CCOCCO,CCCCCCCCCCCCOCCCN(CCO)CCOCCO,"InChI=1/C21H45NO4/c1-2-3-4-5-6-7-8-9-10-11-18-25-19-12-13-22(14-16-23)15-20-26-21-17-24/h23-24H,2-21H2,1H3",C21H45NO4,,,,,,KKUDUPMJXGXXKK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.557,285-343-6,85081-53-4,Tridecyl hydrogen 2-dodecenylsuccinate,3-[(tridecyloxy)carbonyl]pentadec-5-enoate,[O-]C(=O)CC(CC=CCCCCCCCCC)C(=O)OCCCCCCCCCCCCC,[O-]C(=O)CC(CC=CCCCCCCCCC)C(=O)OCCCCCCCCCCCCC,"InChI=1/C29H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-29(32)27(26-28(30)31)24-22-20-18-16-14-12-10-8-6-4-2/h20,22,27H,3-19,21,23-26H2,1-2H3,(H,30,31)/p-1",C29H54O4,,,,,,YEEUVTPIQOIRJH-UHFFFAOYSA-M,,,,,,,,,,,
100.071.576,278-756-8,77737-19-0,3-ethyl-2-[2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]benzothiazolium p-toluenesulphonate,"3-ethyl-2-{2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2CC,[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2CC,"InChI=1/C23H25N2S2.C7H8O3S/c1-4-17(15-22-24(5-2)18-11-7-9-13-20(18)26-22)16-23-25(6-3)19-12-8-10-14-21(19)27-23;1-6-2-4-7(5-3-6)11(8,9)10/h7-16H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C23H25N2S2.C7H7O3S,,,,,,SLSUKXBQBDQRTK-UHFFFAOYSA-M,,,,,,,,,,,
100.071.580,278-761-5,77758-65-7,"ß,4-dimethyl-a-methylenecyclohex-3-ene-1-propan-1-al",3-(4-methylcyclohex-3-en-1-yl)-2-methylenebutanal,CC(C1CCC(=CC1)C)C(=C)C=O,CC(C1CCC(=CC1)C)C(=C)C=O,"InChI=1/C12H18O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h4,8,11-12H,2,5-7H2,1,3H3",C12H18O,,,,,,FFFSOJPRLLQQAA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.584,278-765-7,77771-22-3,"1,2,3,4-tetrahydro-1-(3-pyridylcarbonyl)quinolin-8-ol","1-(pyridin-3-ylcarbonyl)-1,2,3,4-tetrahydroquinolin-8-ol",Oc1cccc2CCCN(C(=O)c3cccnc3)c12,Oc1cccc2CCCN(C(=O)c3cccnc3)c12,"InChI=1/C15H14N2O2/c18-13-7-1-4-11-6-3-9-17(14(11)13)15(19)12-5-2-8-16-10-12/h1-2,4-5,7-8,10,18H,3,6,9H2",C15H14N2O2,,,,,,GUQABSUKMJPZHH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.586,278-767-8,77772-07-7,3-methyldecan-1-al,3-methyldecanal,CCCCCCCC(C)CC=O,CCCCCCCC(C)CC=O,"InChI=1/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h10-11H,3-9H2,1-2H3",C11H22O,,,,,,QLWNBLGQVMVTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.594,278-776-7,77851-07-1,"Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate","ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate",CCOC(=O)C1C(=C(C)CCC1(C)C)C,CCOC(=O)C1C(=C(C)CCC1(C)C)C,"InChI=1/C13H22O2/c1-6-15-12(14)11-10(3)9(2)7-8-13(11,4)5/h11H,6-8H2,1-5H3",C13H22O2,,,,,,GUAPMIRFNRZYFI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.595,278-777-2,77851-17-3,Phenethylcumene,1-isopropyl-2-(2-phenylethyl)benzene,CC(C)c1ccccc1CCc2ccccc2,CC(C)c1ccccc1CCc2ccccc2,"InChI=1/C17H20/c1-14(2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3",C17H20,,,,,,WOPCYTAIGVBCKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.596,278-778-8,77858-21-0,5-(2-formyl-3-hydroxyphenoxy)valeric acid,5-(2-formyl-3-hydroxyphenoxy)pentanoic acid,OC(=O)CCCCOc1cccc(O)c1C=O,OC(=O)CCCCOc1cccc(O)c1C=O,"InChI=1/C12H14O5/c13-8-9-10(14)4-3-5-11(9)17-7-2-1-6-12(15)16/h3-5,8,14H,1-2,6-7H2,(H,15,16)",C12H14O5,,,,,,NSUDGNLOXMLAEB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.599,278-781-4,77883-50-2,Hexahydro-a-methyl-1H-azepine-1-ethanol,1-azepan-1-ylpropan-2-ol,CC(O)CN1CCCCCC1,CC(O)CN1CCCCCC1,"InChI=1/C9H19NO/c1-9(11)8-10-6-4-2-3-5-7-10/h9,11H,2-8H2,1H3",C9H19NO,,,,,,RHULHUMGLDCWCP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.602,278-785-6,77889-87-3,Diethyl [[(6-chlorohexyl)amino]carbonyl]phosphonate,diethyl [[(6-chlorohexyl)amino]carbonyl]phosphonate,CCOP(=O)(OCC)C(=O)NCCCCCCCl,CCOP(=O)(OCC)C(=O)NCCCCCCCl,"InChI=1/C11H23ClNO4P/c1-3-16-18(15,17-4-2)11(14)13-10-8-6-5-7-9-12/h3-10H2,1-2H3,(H,13,14)",C11H23ClNO4P,,,,,,SEZJXKVZYMQFCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.603,278-786-1,77890-71-2,Bis(2-hydroxyethyl)ammonium 3-[[(2-ethylhexyl)amino]sulphonyl]propionate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium 3-[(2-ethylhexyl)sulfamoyl]propanoate,CCCCC(CC)CNS(=O)(=O)CCC(=O)[O-].OCC[NH2+]CCO,CCCCC(CC)CNS(=O)(=O)CCC(=O)[O-].OCC[NH2+]CCO,"InChI=1/C11H23NO4S.C4H11NO2/c1-3-5-6-10(4-2)9-12-17(15,16)8-7-11(13)14;6-3-1-5-2-4-7/h10,12H,3-9H2,1-2H3,(H,13,14);5-7H,1-4H2",C11H23NO4S.C6H15NO3,,,,,,WTAZBXQKVAEZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.604,278-787-7,77891-29-3,4-ethoxy-3-methoxyphenethyl alcohol,2-(4-ethoxy-3-methoxyphenyl)ethanol,CCOc1ccc(CCO)cc1OC,CCOc1ccc(CCO)cc1OC,"InChI=1/C11H16O3/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,8,12H,3,6-7H2,1-2H3",C11H16O3,,,,,,XYPMGJKFSRTMFY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.771,252-563-9,35441-13-5,"Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanesulphonate","sodium 2-({4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethanesulfonate",[Na+].Cc1cc(Cl)c(Cl)cc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)CCS(=O)(=O)[O-],[Na+].Cc1cc(Cl)c(Cl)cc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)CCS(=O)(=O)[O-],"InChI=1/C18H18Cl2N2O5S2.Na/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)28(23,24)8-9-29(25,26)27;/h2-5,10-11H,6-9H2,1H3,(H,25,26,27);/q;+1/p-1",C18H18Cl2N2O5S2.Na,,,,,,ZRHVIBPVGBXNFG-UHFFFAOYSA-M,,,,,,,,,,,
100.047.773,252-566-5,35441-15-7,"3-(4,5-dichloro-o-tolyl)-4,5-dihydro-1-[4-(vinylsulphonyl)phenyl]-1H-pyrazole","3-(4,5-dichloro-2-methylphenyl)-1-[4-(vinylsulfonyl)phenyl]-4,5-dihydro-1H-pyrazole",Cc1cc(Cl)c(Cl)cc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)C=C,Cc1cc(Cl)c(Cl)cc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)C=C,"InChI=1/C18H16Cl2N2O2S/c1-3-25(23,24)14-6-4-13(5-7-14)22-9-8-18(21-22)15-11-17(20)16(19)10-12(15)2/h3-7,10-11H,1,8-9H2,2H3",C18H16Cl2N2O2S,,,,,,KXTWAZOEZDTTHP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.781,252-574-9,35450-53-4,p-(2-acetamidoethyl)benzenesulphonyl chloride,4-(2-acetamidoethyl)benzenesulfonyl chloride,CC(=O)NCCc1ccc(cc1)S(=O)(=O)Cl,CC(=O)NCCc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C10H12ClNO3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)",C10H12ClNO3S,,,,,,VSHNWNOZERVVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.783,252-577-5,35454-39-8,1-methyl-1H-imidazol-4-acetic acid monohydrochloride,(1-methyl-1H-imidazol-4-yl)acetic acid hydrochloride,Cl.Cn1cnc(CC(=O)O)c1,Cl.Cn1cnc(CC(=O)O)c1,"InChI=1/C6H8N2O2.ClH/c1-8-3-5(7-4-8)2-6(9)10;/h3-4H,2H2,1H3,(H,9,10);1H",C6H8N2O2.ClH,,,,,,XVLSBASXRIOQRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.795,252-590-6,35486-42-1,"3,5-dibromo-2-pyridylamine","3,5-dibromopyridin-2-amine",Nc1ncc(Br)cc1Br,Nc1ncc(Br)cc1Br,"InChI=1/C5H4Br2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)",C5H4Br2N2,,,,,,WJMJWMSWJSACSN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.947,254-960-2,40533-67-3,"[2-(1-propenyl)-1,3-dioxolan-4-yl]methyl butyrate","(2-prop-1-en-1-yl-1,3-dioxolan-4-yl)methyl butyrate",CC=CC1OC(COC(=O)CCC)CO1,CC=CC1OC(COC(=O)CCC)CO1,"InChI=1/C11H18O4/c1-3-5-10(12)13-7-9-8-14-11(15-9)6-4-2/h4,6,9,11H,3,5,7-8H2,1-2H3",C11H18O4,,,,,,ICPQFQAABAQGLG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.954,254-968-6,40546-33-6,1H-imidazole-4-propylamine,3-(1H-imidazol-4-yl)propan-1-amine,NCCCc1c[nH]cn1,NCCCc1c[nH]cn1,"InChI=1/C6H11N3/c7-3-1-2-6-4-8-5-9-6/h4-5H,1-3,7H2,(H,8,9)",C6H11N3,,,,,,IHDFTEVCMVTMSP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.957,254-971-2,40550-17-2,"3,3,13,13-tetramethoxy-2,14-dioxa-7,8,9-trithia-3,13-disilapentadecane","3,3,13,13-tetramethoxy-2,14-dioxa-7,8,9-trithia-3,13-disilapentadecane",CO[Si](CCCSSSCCC[Si](OC)(OC)OC)(OC)OC,CO[Si](CCCSSSCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C12H30O6S3Si2/c1-13-22(14-2,15-3)11-7-9-19-21-20-10-8-12-23(16-4,17-5)18-6/h7-12H2,1-6H3",C12H30O6S3Si2,,,,,,KOFGNZOFJYBHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.959,254-973-3,40552-84-9,1-phenylethyl acetoacetate,1-phenylethyl 3-oxobutanoate,CC(OC(=O)CC(=O)C)c1ccccc1,CC(OC(=O)CC(=O)C)c1ccccc1,"InChI=1/C12H14O3/c1-9(13)8-12(14)15-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3",C12H14O3,,,,,,GSBJXOIVIOYPOW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.962,254-977-5,40566-58-3,Sodium 2-chloro-5-formylbenzenesulphonate,sodium 2-chloro-5-formylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c1cc(C=O)ccc1Cl,[Na+].[O-]S(=O)(=O)c1cc(C=O)ccc1Cl,"InChI=1/C7H5ClO4S.Na/c8-6-2-1-5(4-9)3-7(6)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1",C7H5ClO4S.Na,,,,,,NHFHWFDCYQTTFV-UHFFFAOYSA-M,,,,,,,,,,,
100.049.969,254-984-3,40588-70-3,"Hexapotassium dihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","hexapotassium dihydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.6K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;6*+1/p-8",C6H20N2O12P4.6K,,,,,,MEKNAGVVXYAWLV-UHFFFAOYSA-F,,,,,,,,,,,
100.049.973,254-989-0,40591-65-9,"2,3,4,6-tetra-O-acetyl-1-carbamimidoyl-1-thio-ß-D-glucopyranose monohydrobromide","2,3,4,6-tetra-O-acetyl-1-S-carbamimidoyl-1-thio-beta-D-glucopyranose hydrobromide",Br.CC(=O)OC[C@H]1O[C@@H](SC(=N)N)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,Br.CC(=O)OC[C@H]1O[C@@H](SC(=N)N)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C15H22N2O9S.BrH/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)27-15(16)17;/h10-14H,5H2,1-4H3,(H3,16,17);1H",C15H22N2O9S.BrH,,,,,,QNVDHERXTIAGPT-SXQUUHMTSA-N,,,,,,,,,,,
100.049.975,254-991-1,40594-65-8,5-methyl-2-(isopropyl)cyclohexyl nicotinate,2-isopropyl-5-methylcyclohexyl nicotinate,CC(C)C1CCC(C)CC1OC(=O)c2cccnc2,CC(C)C1CCC(C)CC1OC(=O)c2cccnc2,"InChI=1/C16H23NO2/c1-11(2)14-7-6-12(3)9-15(14)19-16(18)13-5-4-8-17-10-13/h4-5,8,10-12,14-15H,6-7,9H2,1-3H3",C16H23NO2,,,,,,GGOHHUHCISYDOX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.979,254-995-3,40600-13-3,"2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazolium chloride","2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].C(Oc1ccccc1C2CC2)C3=NCC[NH2+]3,[Cl-].C(Oc1ccccc1C2CC2)C3=NCC[NH2+]3,"InChI=1/C13H16N2O.ClH/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13;/h1-4,10H,5-9H2,(H,14,15);1H",C13H16N2O.ClH,,,,,,XFRXWLWUUDJHPB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.098,257-326-3,51630-58-1,Cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate,cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3,"InChI=1/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3",C25H22ClNO3,,,,,,NYPJDWWKZLNGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.099,257-327-9,51632-16-7,1-(bromomethyl)-3-phenoxybenzene,1-(bromomethyl)-3-phenoxybenzene,BrCc1cccc(Oc2ccccc2)c1,BrCc1cccc(Oc2ccccc2)c1,"InChI=1/C13H11BrO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2",C13H11BrO,,,,,,UJUNUASMYSTBSK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.104,257-333-1,51639-49-7,1-(3-chlorophenyl)piperazine dihydrochloride,1-(3-chlorophenyl)piperazine dihydrochloride,Cl.Cl.Clc1cccc(c1)N2CCNCC2,Cl.Cl.Clc1cccc(c1)N2CCNCC2,"InChI=1/C10H13ClN2.2ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;;/h1-3,8,12H,4-7H2;2*1H",C10H13ClN2.2ClH,,,,,,OSZCTRWSGNWWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.113,257-343-6,51673-64-4,Methyl 3-oxoisobutyrate,methyl 2-methyl-3-oxopropanoate,COC(=O)C(C)C=O,COC(=O)C(C)C=O,"InChI=1/C5H8O3/c1-4(3-6)5(7)8-2/h3-4H,1-2H3",C5H8O3,,,,,,HWYJZXYVLPKDLM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.115,257-345-7,51677-68-0,(Z)-octadec-9-enyl isovalerate,octadec-9-en-1-yl 3-methylbutanoate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CC(C)C,CCCCCCCC\C=C/CCCCCCCCOC(=O)CC(C)C,"InChI=1/C23H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h11-12,22H,4-10,13-21H2,1-3H3",C23H44O2,,,,,,LOCNAPVACGRDIV-QXMHVHEDSA-N,,,,,,,,,,,
100.052.119,257-349-9,51690-40-5,"3,6-dihydroxynaphthalene-2,7-disulphonic acid, sodium salt","sodium 3,6-dihydroxy-7-sulfonaphthalene-2-sulfonate",Oc1cc2cc(O)c(cc2cc1S(=O)(=O)O)S(=O)(=O)O[Na],Oc1cc2cc(O)c(cc2cc1S(=O)(=O)O)S(=O)(=O)O[Na],"InChI=1/C10H8O8S2.Na/c11-7-1-5-2-8(12)10(20(16,17)18)4-6(5)3-9(7)19(13,14)15;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);/q;+1/p-1/rC10H7NaO8S2/c11-19-21(17,18)10-4-6-3-9(20(14,15)16)7(12)1-5(6)2-8(10)13/h1-4,12-13H,(H,14,15,16)",C10H8O8S2.xNa,,,,,,RBOYAXSCIXMVOY-UHFFFAOYSA-M,,,,,,,,,,,
100.052.121,257-352-5,51699-89-9,"2,6-dibromo-4-methylanisole","1,3-dibromo-2-methoxy-5-methylbenzene",COc1c(Br)cc(C)cc1Br,COc1c(Br)cc(C)cc1Br,"InChI=1/C8H8Br2O/c1-5-3-6(9)8(11-2)7(10)4-5/h3-4H,1-2H3",C8H8Br2O,,,,,,IHOLQYYMMKYVLH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.003,258-322-4,53048-62-7,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-1,1-dimethylhydrazinium chloride","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-1,1-dimethyldiazanium chloride",[Cl-].Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O,[Cl-].Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O,"InChI=1/C18H23Cl2N6O2.ClH/c1-4-24(9-10-26(2,3)21)14-7-5-13(6-8-14)22-23-18-16(19)11-15(25(27)28)12-17(18)20;/h5-8,11-12H,4,9-10,21H2,1-3H3;1H/q+1;/p-1",C18H23Cl2N6O2.Cl,,,,,,MLBVVWMPXHPGKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.049.077,254-003-9,38565-48-9,p-[[p-[(p-nitrophenyl)azo]phenyl]azo]phenol,4-({4-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)phenol,Oc3ccc(N=Nc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2)cc3,Oc3ccc(N=Nc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2)cc3,"InChI=1/C18H13N5O3/c24-18-11-7-16(8-12-18)22-20-14-3-1-13(2-4-14)19-21-15-5-9-17(10-6-15)23(25)26/h1-12,24H",C18H13N5O3,,,,,,CXWPPJHWQZBMAO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.080,254-007-0,38565-54-7,"(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)oxirane","2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)oxirane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C13H5F21O/c14-4(15,1-3-2-35-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3H,1-2H2",C13H5F21O,,,,,,KVLHRMQNRDJRKW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.083,254-010-7,38577-97-8,"3',6'-dihydroxy-4',5'-diiodospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-dihydroxy-4',5'-diiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3c(I)c(O)ccc3C24OC(=O)c5ccccc45)c1I,Oc1ccc2c(Oc3c(I)c(O)ccc3C24OC(=O)c5ccccc45)c1I,"InChI=1/C20H10I2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H",C20H10I2O5,,,,,,DSVUBXQDJGJGIC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.085,254-012-8,38578-30-2,"5,5-bis(bromomethyl)-2-(2,4,6-tribromophenoxy)-1,3,2-dioxaphosphorinane 2-oxide","5,5-bis(bromomethyl)-2-(2,4,6-tribromophenoxy)-1,3,2-dioxaphosphinane 2-oxide",BrCC1(CBr)COP(=O)(Oc2c(Br)cc(Br)cc2Br)OC1,BrCC1(CBr)COP(=O)(Oc2c(Br)cc(Br)cc2Br)OC1,"InChI=1/C11H10Br5O4P/c12-3-11(4-13)5-18-21(17,19-6-11)20-10-8(15)1-7(14)2-9(10)16/h1-2H,3-6H2",C11H10Br5O4P,,,,,,SOWHFSRXEMPZAD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.086,254-013-3,38580-89-1,Isopropyl dimethylcarbamate,isopropyl dimethylcarbamate,CC(C)OC(=O)N(C)C,CC(C)OC(=O)N(C)C,"InChI=1/C6H13NO2/c1-5(2)9-6(8)7(3)4/h5H,1-4H3",C6H13NO2,,,,,,XFWJFSJDRURPLE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.089,254-017-5,38582-18-2,Zinc cyclohexylbutyrate,zinc bis(2-cyclohexylbutanoate),[Zn+2].CCC(C1CCCCC1)C(=O)[O-].CCC(C2CCCCC2)C(=O)[O-],[Zn+2].CCC(C1CCCCC1)C(=O)[O-].CCC(C2CCCCC2)C(=O)[O-],"InChI=1/2C10H18O2.Zn/c2*1-2-9(10(11)12)8-6-4-3-5-7-8;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Zn,,,,,,ISRWFKSQBODLGH-UHFFFAOYSA-L,,,,,,,,,,,
100.054.104,259-535-5,55206-69-4,"2-[(2,3-epoxypropoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol","2-(hydroxymethyl)-2-[(oxiran-2-ylmethoxy)methyl]propane-1,3-diol",OCC(CO)(CO)COCC1CO1,OCC(CO)(CO)COCC1CO1,"InChI=1/C8H16O5/c9-3-8(4-10,5-11)6-12-1-7-2-13-7/h7,9-11H,1-6H2",C8H16O5,,,,,,SRTFSXUQGZSYIO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.109,259-540-2,55231-29-3,"Titanium bis(hexane-1,6-diolate)","titanium bis(hexane-1,6-diolate)",[Ti+2].[Ti+2].[O-]CCCCCC[O-].[O-]CCCCCC[O-],[Ti+2].[Ti+2].[O-]CCCCCC[O-].[O-]CCCCCC[O-],InChI=1/2C6H12O2.2Ti/c2*7-5-3-1-2-4-6-8;;/h2*1-6H2;;/q2*-2;2*+2,C6H14O2.xTi,,,,,,OZVCDKQHRHNLIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.054.112,259-543-9,55234-18-9,"3-formyl-2,2-dimethylthiazolidine-4-carboxylic acid","3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid",CC1(C)SCC(N1C=O)C(=O)O,CC1(C)SCC(N1C=O)C(=O)O,"InChI=1/C7H11NO3S/c1-7(2)8(4-9)5(3-12-7)6(10)11/h4-5H,3H2,1-2H3,(H,10,11)",C7H11NO3S,,,,,,LPVHVQFTYXQKAP-UHFFFAOYSA-N,,,,,,,,,,,
100.054.120,259-552-8,55252-53-4,N-[2-[(2-cyano-6-iodo-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide,N-{2-[(2-cyano-6-iodo-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide,[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)c(I)c2,[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(C)=O)N(CC)CC)c(I)c2,"InChI=1/C19H19IN6O3/c1-4-25(5-2)14-6-7-17(18(10-14)22-12(3)27)23-24-19-13(11-21)8-15(26(28)29)9-16(19)20/h6-10H,4-5H2,1-3H3,(H,22,27)",C19H19IN6O3,,,,,,ZFMQRWQCUFFDIS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.803,252-599-5,35506-89-9,Dioctyl sulphite,dioctyl sulfite,CCCCCCCCOS(=O)OCCCCCCCC,CCCCCCCCOS(=O)OCCCCCCCC,"InChI=1/C16H34O3S/c1-3-5-7-9-11-13-15-18-20(17)19-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34O3S,,,,,,KTSKBTNGZJPRPD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.811,252-608-2,35535-81-0,Sodium 2-chlorophenolate,sodium 2-chlorophenolate,[Na+].[O-]c1ccccc1Cl,[Na+].[O-]c1ccccc1Cl,"InChI=1/C6H5ClO.Na/c7-5-3-1-2-4-6(5)8;/h1-4,8H;/q;+1/p-1",C6H5ClO.Na,,,,,,GQFIWFPBDXSASA-UHFFFAOYSA-M,,,,,,,,,,,
100.047.817,252-615-0,35554-44-0,"1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole","1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole",Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,"InChI=1/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2",C14H14Cl2N2O,,,,,,PZBPKYOVPCNPJY-UHFFFAOYSA-N,Positive,SM878201;UF400901|UF400902|UF400903|UF400904,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,297.0558:158.9764:69.0448;158.9762:109.0759:172.9919|158.9761:81.0446:141.0698|255.0085:200.9867:158.9761|255.0087:200.9868:158.9763,CASMI_2016;UFZ,,,,,
100.047.830,252-629-7,35579-33-0,"1,4-dioxaspiro[4.4]nonane-6-propiononitrile","3-(1,4-dioxaspiro[4.4]non-6-yl)propanenitrile",N#CCCC1CCCC12OCCO2,N#CCCC1CCCC12OCCO2,"InChI=1/C10H15NO2/c11-6-2-4-9-3-1-5-10(9)12-7-8-13-10/h9H,1-5,7-8H2",C10H15NO2,,,,,,ZHRHBAXGQRGXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.833,252-632-3,35589-32-3,"3,4-dimethoxyanilinium chloride","3,4-dimethoxyanilinium chloride",[Cl-].COc1ccc([NH3+])cc1OC,[Cl-].COc1ccc([NH3+])cc1OC,"InChI=1/C8H11NO2.ClH/c1-10-7-4-3-6(9)5-8(7)11-2;/h3-5H,9H2,1-2H3;1H",C8H11NO2.ClH,,,,,,ONQXLLAHSKZOMV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.834,252-633-9,35599-02-1,p-nitrophenyl ß-D-mannopyranoside,4-nitrophenyl beta-D-mannopyranoside,OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2",C12H15NO8,,,,,,IFBHRQDFSNCLOZ-LDMBFOFVSA-N,,,,,,,,,,,
100.047.839,252-639-1,35607-18-2,"3-(1-methyl-1H-pyrrol-2-yl)pyridine, compound with picric acid (1:2)","2,4,6-trinitrophenol - 3-(1-methyl-1H-pyrrol-2-yl)pyridine (2:1)",Cn1cccc1c2cccnc2.Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Cn1cccc1c2cccnc2.Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H10N2.2C6H3N3O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8H,1H3;2*1-2,10H",C10H10N2.2C6H3N3O7,,,,,,HELAHJDQQYICFO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.508,256-678-5,50643-39-5,"3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]phenol","3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]phenol",Nc1nc(Cl)nc(Oc2cccc(O)c2)n1,Nc1nc(Cl)nc(Oc2cccc(O)c2)n1,"InChI=1/C9H7ClN4O2/c10-7-12-8(11)14-9(13-7)16-6-3-1-2-5(15)4-6/h1-4,15H,(H2,11,12,13,14)",C9H7ClN4O2,,,,,,GJZDKVVLCRMNJK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.515,256-685-3,50650-15-2,"[3-(1,3-dioxolan-4-ylmethoxy)propyl]trimethoxysilane","[3-(1,3-dioxolan-4-ylmethoxy)propyl](trimethoxy)silane",CO[Si](CCCOCC1COCO1)(OC)OC,CO[Si](CCCOCC1COCO1)(OC)OC,"InChI=1/C10H22O6Si/c1-11-17(12-2,13-3)6-4-5-14-7-10-8-15-9-16-10/h10H,4-9H2,1-3H3",C10H22O6Si,,,,,,GDMORJPWOKEOJP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.518,256-689-5,50655-31-7,Hexasodium [[[2-[[[bis(hydroxymethyl)phosphino]methyl](phosphonatomethyl)amino]ethyl]imino]bis(methylene)]bisphosphonate,hexasodium [({[bis(hydroxymethyl)phosphino]methyl}{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OCP(CO)CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OCP(CO)CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H24N2O11P4.6Na/c11-7-22(8-12)3-9(4-23(13,14)15)1-2-10(5-24(16,17)18)6-25(19,20)21;;;;;;/h11-12H,1-8H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21);;;;;;/q;6*+1/p-6",C8H24N2O11P4.6Na,,,,,,OAOWBBVRGJRMNJ-UHFFFAOYSA-H,,,,,,,,,,,
100.071.607,278-790-3,77911-27-4,"1-(cyanomethyl)-2-[[4-(dibutylamino)-2-methylphenyl]azo]-1H-imidazole-4,5-dicarbonitrile","1-(cyanomethyl)-2-{[4-(dibutylamino)-2-methylphenyl]diazenyl}-1H-imidazole-4,5-dicarbonitrile",CCCCN(CCCC)c2ccc(N=Nc1nc(C#N)c(C#N)n1CC#N)c(C)c2,CCCCN(CCCC)c2ccc(N=Nc1nc(C#N)c(C#N)n1CC#N)c(C)c2,"InChI=1/C22H26N8/c1-4-6-11-29(12-7-5-2)18-8-9-19(17(3)14-18)27-28-22-26-20(15-24)21(16-25)30(22)13-10-23/h8-9,14H,4-7,11-13H2,1-3H3",C22H26N8,,,,,,YMLKEZIMEARDDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.611,278-795-0,77923-83-2,"Hexahydro-3,5,5-trimethyl-2H-2,4a-methanonaphthalen-1(5H)-one","3,5,5-trimethylhexahydro-2H-2,4a-methanonaphthalen-1(5H)-one",CC1CC23CC1C(=O)C2CCCC3(C)C,CC1CC23CC1C(=O)C2CCCC3(C)C,"InChI=1/C14H22O/c1-9-7-14-8-10(9)12(15)11(14)5-4-6-13(14,2)3/h9-11H,4-8H2,1-3H3",C14H22O,,,,,,KECSZPXAXJKCSD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.620,285-412-0,85098-61-9,Sodium 2-[[4-(benzylethylamino)-m-tolyl]azo]benzothiazole-5-sulphonate,"sodium 2-({4-[benzyl(ethyl)amino]-3-methylphenyl}diazenyl)-1,3-benzothiazole-5-sulfonate",[Na+].[O-]S(=O)(=O)c3cc4nc(N=Nc1cc(C)c(cc1)N(Cc2ccccc2)CC)sc4cc3,[Na+].[O-]S(=O)(=O)c3cc4nc(N=Nc1cc(C)c(cc1)N(Cc2ccccc2)CC)sc4cc3,"InChI=1/C23H22N4O3S2.Na/c1-3-27(15-17-7-5-4-6-8-17)21-11-9-18(13-16(21)2)25-26-23-24-20-14-19(32(28,29)30)10-12-22(20)31-23;/h4-14H,3,15H2,1-2H3,(H,28,29,30);/q;+1/p-1",C23H22N4O3S2.Na,,,,,,HADRWBLRTQKGOR-UHFFFAOYSA-M,,,,,,,,,,,
100.077.623,285-415-7,85098-64-2,1-benzyl-4-(phenylamino)piperidine-4-carboxylic acid,4-anilino-1-benzylpiperidine-4-carboxylic acid,OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3,"InChI=1/C19H22N2O2/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2,(H,22,23)",C19H22N2O2,,,,,,YFSCBWDAVTYIMM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.376,278-536-1,76736-66-8,Hydroxydodecyl methacrylate,1-hydroxydodecyl methacrylate,CCCCCCCCCCCC(O)OC(=O)C(=C)C,CCCCCCCCCCCC(O)OC(=O)C(=C)C,"InChI=1/C16H30O3/c1-4-5-6-7-8-9-10-11-12-13-15(17)19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3",C16H30O3,,,,,,GXFJBYJZYDUMMA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.255,280-604-0,83732-55-2,Methyl N-(isopropyl)-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-(isopropylimino)dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)C(C)C,COC(=O)CCN(CCC(=O)OC)C(C)C,"InChI=1/C11H21NO4/c1-9(2)12(7-5-10(13)15-3)8-6-11(14)16-4/h9H,5-8H2,1-4H3",C11H21NO4,,,,,,MUGTWUTYHDGLJE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.261,280-610-3,83732-61-0,3-chloro-4-hydroxy-5-nitrobenzenesulphonic acid,3-chloro-4-hydroxy-5-nitrobenzenesulfonic acid,Oc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)O,Oc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C6H4ClNO6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,(H,12,13,14)",C6H4ClNO6S,,,,,,VMHPZSMLWXYABA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.264,280-614-5,83732-64-3,5-amino-2-(4-aminoanilino)benzenesulphonic acid monohydrochloride,5-amino-2-[(4-aminophenyl)amino]benzenesulfonic acid hydrochloride,Cl.Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,Cl.Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,"InChI=1/C12H13N3O3S.ClH/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18;/h1-7,15H,13-14H2,(H,16,17,18);1H",C12H13N3O3S.ClH,,,,,,GCHOFEXBADMAAM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.271,280-621-3,83732-71-2,3-amino-6-methoxy-2-pyridone hydrochloride,3-amino-6-methoxypyridin-2(1H)-one hydrochloride,Cl.COC1=CC=C(N)C(=O)N1,Cl.COC1=CC=C(N)C(=O)N1,"InChI=1/C6H8N2O2.ClH/c1-10-5-3-2-4(7)6(9)8-5;/h2-3H,7H2,1H3,(H,8,9);1H",C6H8N2O2.ClH,,,,,,HGUZCDYIUAOJTA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.277,280-628-1,83732-77-8,"[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium dodecyl sulphate","N-(4-{[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium dodecyl sulfate",CCCCCCCCCCCCOS(=O)(=O)[O-].CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14,CCCCCCCCCCCCOS(=O)(=O)[O-].CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14,"InChI=1/C33H39N3.C12H26O4S/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h11-24H,6-10H2,1-5H3;2-12H2,1H3,(H,13,14,15)",C33H40N3.C12H25O4S,,,,,,IWKYWDDURGLVRS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.280,280-631-8,83732-80-3,"Disodium 8-hydroxynaphthalene-1,6-disulphonate","disodium 8-hydroxynaphthalene-1,6-disulfonate",[Na+].[Na+].Oc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2Na,,,,,,KFHVAHCQOBQJQA-UHFFFAOYSA-L,,,,,,,,,,,
100.073.285,280-637-0,83732-85-8,2-amino-6-nitrop-cresol monohydrochloride,2-amino-4-methyl-6-nitrophenol hydrochloride,Cl.Cc1cc(N)c(O)c(c1)[N+](=O)[O-],Cl.Cc1cc(N)c(O)c(c1)[N+](=O)[O-],"InChI=1/C7H8N2O3.ClH/c1-4-2-5(8)7(10)6(3-4)9(11)12;/h2-3,10H,8H2,1H3;1H",C7H8N2O3.ClH,,,,,,VYVKCGAGCUDMCH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.980,254-996-9,40601-76-1,"1,3,5-tris[[4-tert-butyl-3-hydroxy-2,6-xylyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione",Cc1cc(c(O)c(C)c1CN2C(=O)N(Cc3c(C)cc(c(O)c3C)C(C)(C)C)C(=O)N(Cc4c(C)cc(c(O)c4C)C(C)(C)C)C2=O)C(C)(C)C,Cc1cc(c(O)c(C)c1CN2C(=O)N(Cc3c(C)cc(c(O)c3C)C(C)(C)C)C(=O)N(Cc4c(C)cc(c(O)c4C)C(C)(C)C)C2=O)C(C)(C)C,"InChI=1/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3",C42H57N3O6,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13735,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.980,XYXJKPCGSGVSBO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.983,255-000-5,40609-56-1,"Sulphamic acid, tin salt",-,[Sn+4].NS(=O)(=O)[O-],[Sn+4].NS(=O)(=O)[O-],"InChI=1/H3NO3S.Sn/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+4/p-1",H3NO3S.xSn,,,,,,VWEAJZCCVXGZDF-UHFFFAOYSA-M,,,,,,,,,,,
100.049.984,255-001-0,40615-35-8,"4,4'-dimethoxytrityl alcohol",bis(4-methoxyphenyl)(phenyl)methanol,COc1ccc(cc1)C(O)(c2ccccc2)c3ccc(OC)cc3,COc1ccc(cc1)C(O)(c2ccccc2)c3ccc(OC)cc3,"InChI=1/C21H20O3/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15,22H,1-2H3",C21H20O3,,,,,,XESTYUYENKNHHR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.987,255-004-7,40618-18-6,Disodium epoxysuccinate,"disodium oxirane-2,3-dicarboxylate",[Na]OC(=O)C1OC1C(=O)O[Na],[Na]OC(=O)C1OC1C(=O)O[Na],"InChI=1/C4H4O5.2Na/c5-3(6)1-2(9-1)4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2",C4H4O5.2Na,,,,,,BOOBCDRJMPBXQP-UHFFFAOYSA-L,,,,,,,,,,,
100.049.989,255-006-8,40626-23-1,"(S)-3-formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid","3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid",CC1(C)SC(C)(C)N(C=O)[C@H]1C(=O)O,CC1(C)SC(C)(C)N(C=O)[C@H]1C(=O)O,"InChI=1/C9H15NO3S/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)",C9H15NO3S,,,,,,QEIKJZZSMZXSAI-LURJTMIESA-N,,,,,,,,,,,
100.049.620,254-602-5,39718-00-8,o-chlorotoluene-a-thiol,(2-chlorophenyl)methanethiol,SCc1ccccc1Cl,SCc1ccccc1Cl,"InChI=1/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2",C7H7ClS,,,,,,WWFIIZLHSNBNTC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.622,254-604-6,39718-89-3,Alminoprofen,2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propanoic acid,CC(C(=O)O)c1ccc(NCC(=C)C)cc1,CC(C(=O)O)c1ccc(NCC(=C)C)cc1,"InChI=1/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)",C13H17NO2,,,,,,FPHLBGOJWPEVME-UHFFFAOYSA-N,,,,,,,,,,,
100.051.127,256-258-1,46181-30-0,2-methyl-6-phenylpyridine,2-methyl-6-phenylpyridine,Cc1cccc(n1)c2ccccc2,Cc1cccc(n1)c2ccccc2,"InChI=1/C12H11N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-9H,1H3",C12H11N,,,,,,GREMYQDDZRJQEG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.128,256-259-7,46190-62-9,"2,4-dichloro-N-isopropylbenzylamine","N-(2,4-dichlorobenzyl)propan-2-amine",CC(C)NCc1ccc(Cl)cc1Cl,CC(C)NCc1ccc(Cl)cc1Cl,"InChI=1/C10H13Cl2N/c1-7(2)13-6-8-3-4-9(11)5-10(8)12/h3-5,7,13H,6H2,1-2H3",C10H13Cl2N,,,,,,ZRTOSIHDTPDTMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.130,256-261-8,46300-01-0,"4-cyano-2,5-dimethoxybenzenediazonium","4-cyano-2,5-dimethoxybenzenediazonium",COc1cc([N+]#N)c(OC)cc1C#N,COc1cc([N+]#N)c(OC)cc1C#N,"InChI=1/C9H8N3O2/c1-13-8-4-7(12-11)9(14-2)3-6(8)5-10/h3-4H,1-2H3/q+1",C9H8N3O2,,,,,,SMAINMIHMWGFQE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.147,256-280-1,46814-61-3,"N-[2-(dimethylamino)ethyl]-N',N'-dimethyl-N-phenylethylenediamine","N-[2-(dimethylamino)ethyl]-N',N'-dimethyl-N-phenylethane-1,2-diamine",CN(C)CCN(CCN(C)C)c1ccccc1,CN(C)CCN(CCN(C)C)c1ccccc1,"InChI=1/C14H25N3/c1-15(2)10-12-17(13-11-16(3)4)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3",C14H25N3,,,,,,XYBJECRQHXFCDU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.152,256-285-9,46874-41-3,5-acetamido-1-naphthyl acetate,5-acetamido-1-naphthyl acetate,CC(=O)Nc1cccc2c(OC(=O)C)cccc12,CC(=O)Nc1cccc2c(OC(=O)C)cccc12,"InChI=1/C14H13NO3/c1-9(16)15-13-7-3-6-12-11(13)5-4-8-14(12)18-10(2)17/h3-8H,1-2H3,(H,15,16)",C14H13NO3,,,,,,RSZZTTIBNGXAEI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.154,256-288-5,46917-07-1,Benzyldimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"N-benzyl-2-(methacryloyloxy)-N,N-dimethylethanaminium chloride",[Cl-].CC(=C)C(=O)OCC[N+](C)(C)Cc1ccccc1,[Cl-].CC(=C)C(=O)OCC[N+](C)(C)Cc1ccccc1,"InChI=1/C15H22NO2.ClH/c1-13(2)15(17)18-11-10-16(3,4)12-14-8-6-5-7-9-14;/h5-9H,1,10-12H2,2-4H3;1H/q+1;/p-1",C15H22NO2.Cl,,,,,,CRGOPMLUWCMMCK-UHFFFAOYSA-M,,,,,,,,,,,
100.051.155,256-289-0,46948-72-5,6-[methyl(phenylsulphonyl)amino]hexanoic acid,6-[methyl(phenylsulfonyl)amino]hexanoic acid,CN(CCCCCC(=O)O)S(=O)(=O)c1ccccc1,CN(CCCCCC(=O)O)S(=O)(=O)c1ccccc1,"InChI=1/C13H19NO4S/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16)",C13H19NO4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11110,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.155,ASJPRZHJNRBKTI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.158,256-292-7,47029-84-5,Dazadrol,"(4-chlorophenyl)(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-ylmethanol",OC(C1=NCCN1)(c2ccc(Cl)cc2)c3ccccn3,OC(C1=NCCN1)(c2ccc(Cl)cc2)c3ccccn3,"InChI=1/C15H14ClN3O/c16-12-6-4-11(5-7-12)15(20,14-18-9-10-19-14)13-3-1-2-8-17-13/h1-8,20H,9-10H2,(H,18,19)",C15H14ClN3O,,,,,,DITYEPYMBCHKLF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.091,254-019-6,38582-34-2,"(2-oxocyclopentane-1,3-diylidene)tetrakismethylene tetraacrylate","(2-oxocyclopentane-1,1,3,3-tetrayl)tetrakis(methylene) tetrakisacrylate",C=CC(=O)OCC1(COC(=O)C=C)CCC(COC(=O)C=C)(COC(=O)C=C)C1=O,C=CC(=O)OCC1(COC(=O)C=C)CCC(COC(=O)C=C)(COC(=O)C=C)C1=O,"InChI=1/C21H24O9/c1-5-15(22)27-11-20(12-28-16(23)6-2)9-10-21(19(20)26,13-29-17(24)7-3)14-30-18(25)8-4/h5-8H,1-4,9-14H2",C21H24O9,,,,,,ZYPHDVCHZLZXRM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.099,254-028-5,38594-96-6,(R)-N-(1-methyl-2-phenylethyl)adenosine,N-(1-methyl-2-phenylethyl)adenosine,CC(Cc1ccccc1)Nc2ncnc3c2ncn3[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O,CC(Cc1ccccc1)Nc2ncnc3c2ncn3[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O,"InChI=1/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)",C19H23N5O4,,,,,,RIRGCFBBHQEQQH-UVCRECLJSA-N,,,,,,,,,,,
100.049.104,254-033-2,38603-72-4,2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethylamine dihydrochloride,2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethanamine dihydrochloride,Cl.Cl.Cc1[nH]cnc1CSCCN,Cl.Cl.Cc1[nH]cnc1CSCCN,"InChI=1/C7H13N3S.2ClH/c1-6-7(10-5-9-6)4-11-3-2-8;;/h5H,2-4,8H2,1H3,(H,9,10);2*1H",C7H13N3S.2ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7120,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.104,VFWUYASTZCOUKN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.971,258-287-5,52998-13-7,(4-pyridylthio)acetyl chloride,(pyridin-4-ylsulfanyl)acetyl chloride,ClC(=O)CSc1ccncc1,ClC(=O)CSc1ccncc1,"InChI=1/C7H6ClNOS/c8-7(10)5-11-6-1-3-9-4-2-6/h1-4H,5H2",C7H6ClNOS,,,,,,IVRIXACFKSSWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.972,258-288-0,53001-22-2,(2H10)-2-methylpropan-2-ol,2-methylpropan-2-ol,CC(C)(C)O,CC(C)(C)O,"InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3",C4D10O,,,,,,DKGAVHZHDRPRBM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.977,258-293-8,53014-11-2,"2-[3-[1-[4-[(acetamido)sulphonyl]butyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium bromide","2-(3-{1-[4-(acetylsulfamoyl)butyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene}prop-1-en-1-yl)-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium bromide",[Br-].CC(=O)NS(=O)(=O)CCCCN4c5cc(Cl)c(Cl)cc5N(CC)C4=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3,[Br-].CC(=O)NS(=O)(=O)CCCCN4c5cc(Cl)c(Cl)cc5N(CC)C4=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3,"InChI=1/C33H34Cl2N4O4S.BrH/c1-4-37-28-21-26(34)27(35)22-29(28)39(18-9-10-19-44(41,42)36-23(3)40)32(37)14-11-15-33-38(5-2)30-20-25(16-17-31(30)43-33)24-12-7-6-8-13-24;/h6-8,11-17,20-22H,4-5,9-10,18-19H2,1-3H3;1H",C33H35Cl2N4O4S.Br,,,,,,QURZVYYMLRHGOA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.982,258-299-0,53019-53-7,4-ethyloxazolidine,"4-ethyl-1,3-oxazolidine",CCC1COCN1,CCC1COCN1,"InChI=1/C5H11NO/c1-2-5-3-7-4-6-5/h5-6H,2-4H2,1H3",C5H11NO,,,,,,LAHLFHOVSWLGHR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.984,258-302-5,53020-09-0,Ethyl 2-(chloromethyl)-3-furoate,ethyl 2-(chloromethyl)-3-furoate,CCOC(=O)c1ccoc1CCl,CCOC(=O)c1ccoc1CCl,"InChI=1/C8H9ClO3/c1-2-11-8(10)6-3-4-12-7(6)5-9/h3-4H,2,5H2,1H3",C8H9ClO3,,,,,,NGJRTMAWUADGPY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.986,258-304-6,53023-60-2,"(Z,E)-(±)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioic acid","disodium 4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioate",COC(C)(C)CCCC(C)CC=C(C(=CC(=O)O[Na])C)C(=O)O[Na],COC(C)(C)CCCC(C)CC=C(C(=CC(=O)O[Na])C)C(=O)O[Na],"InChI=1/C17H28O5.2Na/c1-12(7-6-10-17(3,4)22-5)8-9-14(16(20)21)13(2)11-15(18)19;;/h9,11-12H,6-8,10H2,1-5H3,(H,18,19)(H,20,21);;/q;2*+1/p-2",C17H28O5,,,,,,IWKNJYKHJUQZSN-UHFFFAOYSA-L,,,,,,,,,,,
100.052.987,258-305-1,53023-65-7,"(2Z,4E)-(±)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid","11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid",COC(C)(C)CCCC(C)CC=CC(=CC(=O)O)C,COC(C)(C)CCCC(C)CC=CC(=CC(=O)O)C,"InChI=1/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)",C16H28O3,,,,,,MNYBEULOKRVZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.993,258-311-4,53034-85-8,Ibuterol,"5-[2-(tert-butylamino)-1-hydroxyethyl]-1,3-phenylene bis(2-methylpropanoate)",CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc(c1)C(O)CNC(C)(C)C,CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc(c1)C(O)CNC(C)(C)C,"InChI=1/C20H31NO5/c1-12(2)18(23)25-15-8-14(17(22)11-21-20(5,6)7)9-16(10-15)26-19(24)13(3)4/h8-10,12-13,17,21-22H,11H2,1-7H3",C20H31NO5,,,,,,WKHOPHIMYDJVSA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.994,258-313-5,53034-92-7,"1,3-bis[3-[[[[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]carbonyl]amino]-p-tolyl]-1,3-diazetidine-2,4-dione","1,3-bis{3-[({[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy}carbonyl)amino]-4-methylphenyl}-1,3-diazetidine-2,4-dione",CC1=CC(=NOC(=O)Nc2cc(ccc2C)N3C(=O)N(C3=O)c4ccc(C)c(NC(=O)ON=C5C=C(C)C(=O)C(=C5)C)c4)C=C(C)C1=O,CC1=CC(=NOC(=O)Nc2cc(ccc2C)N3C(=O)N(C3=O)c4ccc(C)c(NC(=O)ON=C5C=C(C)C(=O)C(=C5)C)c4)C=C(C)C1=O,"InChI=1/C34H30N6O8/c1-17-7-9-25(15-27(17)35-31(43)47-37-23-11-19(3)29(41)20(4)12-23)39-33(45)40(34(39)46)26-10-8-18(2)28(16-26)36-32(44)48-38-24-13-21(5)30(42)22(6)14-24/h7-16H,1-6H3,(H,35,43)(H,36,44)",C34H30N6O8,,,,,,DGVAZNMIYQGJJV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.506,253-373-9,37169-66-7,2-O-a-D-glucopyranosyl-a-D-glucose,2-O-alpha-D-glucopyranosyl-D-glucose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O,"InChI=1/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2",C12H22O11,,,,,,PZDOWFGHCNHPQD-OQPGPFOOSA-N,,,,,,,,,,,
100.051.521,256-692-1,50662-99-2,"Trisodium 4-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","trisodium 2,5-dichloro-4-(4-{[5-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,"InChI=1/C25H18Cl3N9O10S3.3Na/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(4-7-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-2-5-14(6-3-12)48(39,40)41;;;/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;/q;3*+1/p-3",C25H18Cl3N9O10S3.3Na,,,,,,WTPOYMNMKZIOGO-UHFFFAOYSA-K,,,,,,,,,,,
100.051.523,256-694-2,50663-19-9,"1,3-dimethyl-5-[(3-methylthiazolidinyl-2-idene)ethylidene]-2-thioxoimidazolidin-4-one","1,3-dimethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-thioxoimidazolidin-4-one",CN1CCSC1=CC=C2N(C)C(=S)N(C)C2=O,CN1CCSC1=CC=C2N(C)C(=S)N(C)C2=O,"InChI=1/C11H15N3OS2/c1-12-6-7-17-9(12)5-4-8-10(15)14(3)11(16)13(8)2/h4-5H,6-7H2,1-3H3",C11H15N3OS2,,,,,,FVFBOOXTOBVBGN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.529,256-701-9,50670-50-3,"4'-methyl[1,1'-biphenyl]-4-carbonitrile",4'-methylbiphenyl-4-carbonitrile,Cc1ccc(cc1)c2ccc(cc2)C#N,Cc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C14H11N/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-9H,1H3",C14H11N,,,,,,QIBWMVSMTSYUSK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.169,256-305-6,47265-07-6,Manganese di(toluene-4-sulphonate),manganese(2+) bis(4-methylbenzenesulfonate),[Mn+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],[Mn+2].Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C7H8O3S.Mn/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",C7H8O3S.1/2Mn,,,,,,KHFMMDORGDKXDS-UHFFFAOYSA-L,,,,,,,,,,,
100.051.172,256-308-2,47310-94-1,"1,1'-[methylenebis(p-phenyleneoxy)]dipropan-2-ol","1,1'-[methylenebis(4,1-phenyleneoxy)]dipropan-2-ol",CC(O)COc1ccc(Cc2ccc(OCC(C)O)cc2)cc1,CC(O)COc1ccc(Cc2ccc(OCC(C)O)cc2)cc1,"InChI=1/C19H24O4/c1-14(20)12-22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-13-15(2)21/h3-10,14-15,20-21H,11-13H2,1-2H3",C19H24O4,,,,,,BUTHHJITGFIWHH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.175,256-311-9,47377-16-2,4-tetradecylbenzenesulphonic acid,4-tetradecylbenzenesulfonic acid,CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,"InChI=1/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)24(21,22)23/h15-18H,2-14H2,1H3,(H,21,22,23)",C20H34O3S,,,,,,IIMOXQJFSQSOMN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.181,256-318-7,47465-97-4,"1,3-dihydro-3,3-bis(4-hydroxy-m-tolyl)-2H-indol-2-one","3,3-bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2H-indol-2-one",Cc1cc(ccc1O)C2(C(=O)Nc3ccccc23)c4ccc(O)c(C)c4,Cc1cc(ccc1O)C2(C(=O)Nc3ccccc23)c4ccc(O)c(C)c4,"InChI=1/C22H19NO3/c1-13-11-15(7-9-19(13)24)22(16-8-10-20(25)14(2)12-16)17-5-3-4-6-18(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)",C22H19NO3,,,,,,ZEKCYPANSOJWDH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.182,256-319-2,47486-75-9,"3,7-di-tert-butylnaphthalene-1,5-disulphonic acid","3,7-di-tert-butylnaphthalene-1,5-disulfonic acid",CC(C)(C)c1cc(c2cc(cc(c2c1)S(=O)(=O)O)C(C)(C)C)S(=O)(=O)O,CC(C)(C)c1cc(c2cc(cc(c2c1)S(=O)(=O)O)C(C)(C)C)S(=O)(=O)O,"InChI=1/C18H24O6S2/c1-17(2,3)11-7-13-14(15(9-11)25(19,20)21)8-12(18(4,5)6)10-16(13)26(22,23)24/h7-10H,1-6H3,(H,19,20,21)(H,22,23,24)",C18H24O6S2,,,,,,UAVWWXVXXQGHGA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.187,256-325-5,47623-98-3,"5-[2-allylidene-3-(1,3-diethylhexahydro-4,6-dioxo-2-thioxopyrimidin-5-yl)]-1,3-diethyldihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione","5,5'-prop-1-en-1-yl-3-ylidenebis(1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)",CCN1C(=O)C(C=CC=C2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S,CCN1C(=O)C(C=CC=C2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S,"InChI=1/C19H24N4O4S2/c1-5-20-14(24)12(15(25)21(6-2)18(20)28)10-9-11-13-16(26)22(7-3)19(29)23(8-4)17(13)27/h9-12H,5-8H2,1-4H3",C19H24N4O4S2,,,,,,VJYNRXFXHKIGLT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.199,256-338-6,47834-75-3,5-[[4-[[[[2-methoxy-4-[(3-sulphophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azosalicylic acid,2-hydroxy-5-({4-[({2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)benzoic acid,COc1cc(ccc1NC(=O)Nc2ccc(cc2)N=Nc3ccc(O)c(c3)C(=O)O)N=Nc4cccc(c4)S(=O)(=O)O,COc1cc(ccc1NC(=O)Nc2ccc(cc2)N=Nc3ccc(O)c(c3)C(=O)O)N=Nc4cccc(c4)S(=O)(=O)O,"InChI=1/C27H22N6O8S/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36/h2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40)",C27H22N6O8S,,,,,,QLPXEVTZQMICLN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.205,256-344-9,47956-45-6,Dimethyloxosilane,dimethyl(oxo)silane,C[Si](=O)C,C[Si](=O)C,InChI=1/C2H6OSi/c1-4(2)3/h1-2H3,C2H6OSi,,,,,,SEUDSDUUJXTXSV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.206,256-345-4,48042-96-2,(S)-2-hydroxy-4-(methylthio)butyric acid,2-hydroxy-4-(methylsulfanyl)butanoic acid,CSCC[C@H](O)C(=O)O,CSCC[C@H](O)C(=O)O,"InChI=1/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",C5H10O3S,,,,,,ONFOSYPQQXJWGS-BYPYZUCNSA-N,,,,,,,,,,,
100.074.576,282-059-4,84083-11-4,"Tetrasodium 4-amino-5-hydroxy-6-[(1-sulphonato-2-naphthyl)azo]-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","tetrasodium 4-amino-5-hydroxy-6-[(1-sulfonato-2-naphthyl)diazenyl]-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c5O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c5O)S([O-])(=O)=O,"InChI=1/C28H23N5O16S5.4Na/c29-24-23-16(13-21(51(37,38)39)25(24)32-30-17-6-8-18(9-7-17)50(35,36)12-11-49-54(46,47)48)14-22(52(40,41)42)26(27(23)34)33-31-20-10-5-15-3-1-2-4-19(15)28(20)53(43,44)45;;;;/h1-10,13-14,34H,11-12,29H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4",C28H23N5O16S5.4Na,,,,,,JTJYLXJWOIPCOC-UHFFFAOYSA-J,,,,,,,,,,,
100.074.577,282-061-5,84083-12-5,3-aminopropyl-3-hydroxypropyldimethylammonium chloride,"3-amino-N-(3-hydroxypropyl)-N,N-dimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(CCCN)CCCO,[Cl-].C[N+](C)(CCCN)CCCO,"InChI=1/C8H21N2O.ClH/c1-10(2,6-3-5-9)7-4-8-11;/h11H,3-9H2,1-2H3;1H/q+1;/p-1",C8H21N2O.Cl,,,,,,LKXWFUAGRRXOSR-UHFFFAOYSA-M,,,,,,,,,,,
100.074.579,282-063-6,84083-14-7,3-chloro-4-cyclohexylmethylaminobenzenediazonium tetrafluoroborate,3-chloro-4-[(cyclohexylmethyl)amino]benzenediazonium tetrafluoroborate,F[B-](F)(F)F.Clc1cc(ccc1NCC2CCCCC2)[N+]#N,F[B-](F)(F)F.Clc1cc(ccc1NCC2CCCCC2)[N+]#N,"InChI=1/C13H17ClN3.BF4/c14-12-8-11(17-15)6-7-13(12)16-9-10-4-2-1-3-5-10;2-1(3,4)5/h6-8,10,16H,1-5,9H2;/q+1;-1",C13H17ClN3.BF4,,,,,,XHEUVVAPCWQXSN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.580,282-064-1,84083-15-8,"4-bromo-3,5-dihydroxy-N-[2-(1-pyrrolidinyl)phenyl]benzamide","4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide",Oc1cc(cc(O)c1Br)C(=O)Nc2ccccc2N3CCCC3,Oc1cc(cc(O)c1Br)C(=O)Nc2ccccc2N3CCCC3,"InChI=1/C17H17BrN2O3/c18-16-14(21)9-11(10-15(16)22)17(23)19-12-5-1-2-6-13(12)20-7-3-4-8-20/h1-2,5-6,9-10,21-22H,3-4,7-8H2,(H,19,23)",C17H17BrN2O3,,,,,,JERQMMFDQOYDSE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.587,282-072-5,84083-22-7,"N2,N5-diacetyl-L-ornithine, compound with 2-(dimethylamino)ethanol (1:1)","N~2~,N~5~-diacetyl-L-ornithine - 2-(dimethylamino)ethanol (1:1)",CN(C)CCO.CC(=O)NCCC[C@H](NC(=O)C)C(=O)O,CN(C)CCO.CC(=O)NCCC[C@H](NC(=O)C)C(=O)O,"InChI=1/C9H16N2O4.C4H11NO/c1-6(12)10-5-3-4-8(9(14)15)11-7(2)13;1-5(2)3-4-6/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15);6H,3-4H2,1-2H3",C9H16N2O4.C4H11NO,,,,,,CGSDOMROKWCZRT-QRPNPIFTSA-N,,,,,,,,,,,
100.077.188,284-937-2,84989-46-8,"Phosphoric acid, butyl ester, compd. with 2,2'-iminobis[ethanol]","butyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCOP(=O)(O)O.OCCNCCO,CCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C4H11NO2.C4H11O4P/c6-3-1-5-2-4-7;1-2-3-4-8-9(5,6)7/h5-7H,1-4H2;2-4H2,1H3,(H2,5,6,7)",-,,,,,,DGLMICMHMURTBI-UHFFFAOYSA-N,,,,,,,,,,,
100.077.195,284-945-6,84989-56-0,"5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium trichlorozincate(1-)","5-(dimethylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium trichlorozincate(1-)",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.Cl[Zn-](Cl)Cl,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.Cl[Zn-](Cl)Cl,"InChI=1/C13H19N6S.3ClH.Zn/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;;;;/h6-9H,1-5H3;3*1H;/q+1;;;;+2/p-3/rC13H19N6S.Cl3Zn/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-4(2)3/h6-9H,1-5H3;/q+1;-1",C13H19N6S.Cl3Zn,,,,,,BXTWGAGYWLZORL-UHFFFAOYSA-K,,,,,,,,,,,
100.071.379,278-539-8,76742-53-5,Tetrahydro-2-[(tetrahydro-3-furyl)methoxy]-2H-pyran,2-(tetrahydrofuran-3-ylmethoxy)tetrahydro-2H-pyran,C(OC1CCCCO1)C2CCOC2,C(OC1CCCCO1)C2CCOC2,"InChI=1/C10H18O3/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h9-10H,1-8H2",C10H18O3,,,,,,CHEXWZJKOMVFBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.383,278-544-5,76759-26-7,2-naphthylpyridine,2-(1-naphthyl)pyridine,c1ccc(nc1)c2cccc3ccccc23,c1ccc(nc1)c2cccc3ccccc23,InChI=1/C15H11N/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15/h1-11H,C15H11N,,,,,,VLRSADZEDXVUPG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.400,278-562-3,76836-02-7,"Disodium piperazine-1,4-diethanesulphonate","disodium 2,2'-piperazine-1,4-diyldiethanesulfonate",[Na+].[Na+].[O-]S(=O)(=O)CCN1CCN(CCS(=O)(=O)[O-])CC1,[Na+].[Na+].[O-]S(=O)(=O)CCN1CCN(CCS(=O)(=O)[O-])CC1,"InChI=1/C8H18N2O6S2.2Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;/h1-8H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",C8H18N2O6S2.2Na,,,,,,GMHSTJRPSVFLMT-UHFFFAOYSA-L,,,,,,,,,,,
100.071.403,278-566-5,76897-39-7,"3,4-dihydro-4,4-dimethyl-2H-pyran-2-one","4,4-dimethyl-3,4-dihydro-2H-pyran-2-one",CC1(C)CC(=O)OC=C1,CC1(C)CC(=O)OC=C1,"InChI=1/C7H10O2/c1-7(2)3-4-9-6(8)5-7/h3-4H,5H2,1-2H3",C7H10O2,,,,,,BBJQMPGDRXUFQM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.404,278-567-0,76897-74-0,"2,2'-[hexane-1,6-diylbis[(ethylimino)(2-methyl-4,1-phenylene)methylidyne]]bismalononitrile","2,2'-{hexane-1,6-diylbis[(ethylimino)(2-methyl-4,1-phenylene)methylylidene]}dimalononitrile",CCN(CCCCCCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCCCCCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C32H36N6/c1-5-37(31-13-11-29(25(3)17-31)19-27(21-33)22-34)15-9-7-8-10-16-38(6-2)32-14-12-30(26(4)18-32)20-28(23-35)24-36/h11-14,17-20H,5-10,15-16H2,1-4H3",C32H36N6,,,,,,WRTUDDVDYDQOQW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.161,256-295-3,47086-45-3,"2,2'-(butane-1,4-diyl)bis[4,5-dihydro-1H-imidazol-1-ethanol]","2,2'-[butane-1,4-diylbis(4,5-dihydro-1H-imidazole-2,1-diyl)]diethanol",OCCN1CCN=C1CCCCC2=NCCN2CCO,OCCN1CCN=C1CCCCC2=NCCN2CCO,"InChI=1/C14H26N4O2/c19-11-9-17-7-5-15-13(17)3-1-2-4-14-16-6-8-18(14)10-12-20/h19-20H,1-12H2",C14H26N4O2,,,,,,ZJPJIQGEOFIFSA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.163,256-297-4,47135-88-6,Closiramine,"2-(8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-N,N-dimethylethanamine",CN(C)CCC1c2ccc(Cl)cc2CCc3cccnc13,CN(C)CCC1c2ccc(Cl)cc2CCc3cccnc13,"InChI=1/C18H21ClN2/c1-21(2)11-9-17-16-8-7-15(19)12-14(16)6-5-13-4-3-10-20-18(13)17/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3",C18H21ClN2,,,,,,BYUAWKXUYPHXSR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.087,259-516-1,55187-29-6,"1,1'-[(dimethylpropane-1,3-diyl)bis(oxy)]bis(2,3-epoxypropane)","2,2'-[(3-methylbutane-1,3-diyl)bis(oxymethylene)]dioxirane",CC(C)(CCOCC1CO1)OCC2CO2,CC(C)(CCOCC1CO1)OCC2CO2,"InChI=1/C11H20O4/c1-11(2,15-8-10-7-14-10)3-4-12-5-9-6-13-9/h9-10H,3-8H2,1-2H3",C11H20O4,,,,,,IFMZOBOURYRZRO-UHFFFAOYSA-N,,,,,,,,,,,
100.054.090,259-519-8,55193-32-3,1-methylhexyl octanoate,1-methylhexyl octanoate,CCCCCCCC(=O)OC(C)CCCCC,CCCCCCCC(=O)OC(C)CCCCC,"InChI=1/C15H30O2/c1-4-6-8-9-11-13-15(16)17-14(3)12-10-7-5-2/h14H,4-13H2,1-3H3",C15H30O2,,,,,,UKPOONOGHLYURR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.096,259-526-6,55195-33-0,(S)-2-methylbutyl heptanoate,2-methylbutyl heptanoate,CCCCCCC(=O)OC[C@@H](C)CC,CCCCCCC(=O)OC[C@@H](C)CC,"InChI=1/C12H24O2/c1-4-6-7-8-9-12(13)14-10-11(3)5-2/h11H,4-10H2,1-3H3",C12H24O2,,,,,,NEYFHTHRJVQMPA-NSHDSACASA-N,,,,,,,,,,,
100.054.106,259-537-6,55219-65-3,"a-tert-butyl-ß-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol","1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol",CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2,CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2,"InChI=1/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3",C14H18ClN3O2,,,,,,BAZVSMNPJJMILC-UHFFFAOYSA-N,Positive,SM844202,[M+H]+,HCD35,70.0401:99.0805:227.0833,CASMI_2016,,,,,
100.054.107,259-538-1,55225-96-2,"1-(2,2-dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene","1-(2,2-dichloro-1,1-difluoroethoxy)-4-isocyanatobenzene",FC(F)(Oc1ccc(cc1)N=C=O)C(Cl)Cl,FC(F)(Oc1ccc(cc1)N=C=O)C(Cl)Cl,"InChI=1/C9H5Cl2F2NO2/c10-8(11)9(12,13)16-7-3-1-6(2-4-7)14-5-15/h1-4,8H",C9H5Cl2F2NO2,,,,,,QHTKVCGDWAOTGS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.113,259-544-4,55236-22-1,"N-(2,3-epoxypropyl)-N-ethyl-m-tolylamine",N-ethyl-3-methyl-N-(oxiran-2-ylmethyl)aniline,CCN(CC1CO1)c2cccc(C)c2,CCN(CC1CO1)c2cccc(C)c2,"InChI=1/C12H17NO/c1-3-13(8-12-9-14-12)11-6-4-5-10(2)7-11/h4-7,12H,3,8-9H2,1-2H3",C12H17NO,,,,,,OWODXMXBMHAMRY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.116,259-548-6,55249-73-5,p-(ethoxymethyl)anisole,1-(ethoxymethyl)-4-methoxybenzene,CCOCc1ccc(OC)cc1,CCOCc1ccc(OC)cc1,"InChI=1/C10H14O2/c1-3-12-8-9-4-6-10(11-2)7-5-9/h4-7H,3,8H2,1-2H3",C10H14O2,,,,,,MAJJDGWXCUOAJY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.129,252-958-6,36304-84-4,"(9a,13a,14a)-3,17-dimethylmorphinan dihydrogen phosphate","3,17-dimethylmorphinan phosphate",CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(C)cc34.OP(=O)(O)O,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(C)cc34.OP(=O)(O)O,"InChI=1/C18H25N.H3O4P/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2;1-5(2,3)4/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3;(H3,1,2,3,4)",C18H25N.H3O4P,,,,,,ODJHDWLIOUGPPA-URVXVIKDSA-N,,,,,,,,,,,
100.047.806,252-603-5,35512-59-5,"2,2-dimethylpropane-1,3-diyl phthalate","2-({3-[(2-carboxybenzoyl)oxy]-2,2-dimethylpropoxy}carbonyl)benzoate",CC(C)(COC(=O)c1ccccc1C(=O)O)COC(=O)c2ccccc2C(=O)[O-],CC(C)(COC(=O)c1ccccc1C(=O)O)COC(=O)c2ccccc2C(=O)[O-],"InChI=1/C21H20O8/c1-21(2,11-28-19(26)15-9-5-3-7-13(15)17(22)23)12-29-20(27)16-10-6-4-8-14(16)18(24)25/h3-10H,11-12H2,1-2H3,(H,22,23)(H,24,25)/p-1",C21H20O8,,,,,,RJGYYWXBLAQTCJ-UHFFFAOYSA-M,,,,,,,,,,,
100.047.822,252-620-8,35565-06-1,(6R-cis)-3-(acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(acetoxymethyl)-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)C,CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)C,"InChI=1/C17H18N2O7S2/c1-9(20)26-7-10-8-28-16-17(25-2,15(24)19(16)13(10)14(22)23)18-12(21)6-11-4-3-5-27-11/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)",C17H18N2O7S2,,,,,,QLTVFUALEDMAKL-DLBZAZTESA-N,,,,,,,,,,,
100.047.835,252-634-4,35599-83-8,Ditetradecyl sulphide,"1,1'-sulfanediylditetradecane",CCCCCCCCCCCCCCSCCCCCCCCCCCCCC,CCCCCCCCCCCCCCSCCCCCCCCCCCCCC,"InChI=1/C28H58S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C28H58S,,,,,,OCTONCPZMJYQLP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.836,252-636-5,35601-81-1,Isopropyl ethylcarbamate,isopropyl ethylcarbamate,CCNC(=O)OC(C)C,CCNC(=O)OC(C)C,"InChI=1/C6H13NO2/c1-4-7-6(8)9-5(2)3/h5H,4H2,1-3H3,(H,7,8)",C6H13NO2,,,,,,MXCSVZZGUXSJJD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.838,252-638-6,35604-67-2,2-[(2-ethoxyphenoxy)methyl]morpholine hydrochloride,2-[(2-ethoxyphenoxy)methyl]morpholine hydrochloride,Cl.CCOc1ccccc1OCC2CNCCO2,Cl.CCOc1ccccc1OCC2CNCCO2,"InChI=1/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H",C13H19NO3.ClH,,,,,,HJOCKFVCMLCPTP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.507,253-374-4,37169-67-8,2-O-a-D-glucopyranosyl-ß-D-glucopyranose,2-O-alpha-D-glucopyranosyl-beta-D-glucopyranose,OC[C@H]1O[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,"InChI=1/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2",C12H22O11,,,,,,HIWPGCMGAMJNRG-LIZSDCNHSA-N,,,,,,,,,,,
100.050.332,255-383-9,41463-67-6,"5,5'-azobis[1-phenyl-1H-tetrazole]","5,5'-diazene-1,2-diylbis(1-phenyl-1H-tetrazole)",c1ccc(cc1)n4nnnc4N=Nc3nnnn3c2ccccc2,c1ccc(cc1)n4nnnc4N=Nc3nnnn3c2ccccc2,InChI=1/C14H10N10/c1-3-7-11(8-4-1)23-13(17-19-21-23)15-16-14-18-20-22-24(14)12-9-5-2-6-10-12/h1-10H,C14H10N10,,,,,,RFDMWAAVQQFVFK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.335,255-387-0,41476-75-9,Nickel bis(piperidine-1-carbodithioate),nickel(2+) dipiperidine-1-carbodithioate,[Ni+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N2CCCCC2,[Ni+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N2CCCCC2,"InChI=1/2C6H11NS2.Ni/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2",C12H20N2NiS4,,,,,,XZKRPSZCSQGEGD-UHFFFAOYSA-L,,,,,,,,,,,
100.050.340,255-392-8,41484-35-9,"Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]","sulfanediyldiethane-2,1-diyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]",CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3",C38H58O6S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10242,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.340,VFBJXXJYHWLXRM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.342,255-394-9,41484-52-0,Cholest-5-en-3ß-yl p-butoxybenzoate,cholest-5-en-3-yl 4-butoxybenzoate,CCCCOc1ccc(cc1)C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C,CCCCOc1ccc(cc1)C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C,"InChI=1/C38H58O3/c1-7-8-24-40-30-15-12-28(13-16-30)36(39)41-31-20-22-37(5)29(25-31)14-17-32-34-19-18-33(27(4)11-9-10-26(2)3)38(34,6)23-21-35(32)37/h12-16,26-27,31-35H,7-11,17-25H2,1-6H3",C38H58O3,,,,,,GFMITXRJKIEHCN-IJJDISMQSA-N,,,,,,,,,,,
100.050.343,255-395-4,41487-00-7,N-[N-[(benzyloxy)carbonyl]-L-isoleucyl]-L-valine,N-[(benzyloxy)carbonyl]-D-isoleucyl-L-valine,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)O,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)O,"InChI=1/C19H28N2O5/c1-5-13(4)16(17(22)20-15(12(2)3)18(23)24)21-19(25)26-11-14-9-7-6-8-10-14/h6-10,12-13,15-16H,5,11H2,1-4H3,(H,20,22)(H,21,25)(H,23,24)",C19H28N2O5,,,,,,XISNUVNLGJKNIK-FMYDAXTQSA-N,,,,,,,,,,,
100.050.354,255-408-3,41494-78-4,"Sodium 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate","sodium 2,5-dichloro-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].CC1=NN(C(=O)C1)c2cc(Cl)c(cc2Cl)S(=O)(=O)[O-],[Na+].CC1=NN(C(=O)C1)c2cc(Cl)c(cc2Cl)S(=O)(=O)[O-],"InChI=1/C10H8Cl2N2O4S.Na/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18;/h3-4H,2H2,1H3,(H,16,17,18);/q;+1/p-1",C10H8Cl2N2O4S.Na,,,,,,JDWCANWCRQAFDV-UHFFFAOYSA-M,,,,,,,,,,,
100.050.355,255-409-9,41495-67-4,"O-cyclohexyl O,S-diethyl thiophosphate","O-cyclohexyl O,S-diethyl thiophosphate",CCOP(=O)(OC1CCCCC1)SCC,CCOP(=O)(OC1CCCCC1)SCC,"InChI=1/C10H21O3PS/c1-3-12-14(11,15-4-2)13-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3",C10H21O3PS,,,,,,ZJOCMGQZWCTWNX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.361,255-416-7,41504-19-2,5-(3-methylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid,"[5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",OC(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3C,OC(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3C,"InChI=1/C13H10N2O3S3/c1-14-7-4-2-3-5-8(7)20-12(14)10-11(18)15(6-9(16)17)13(19)21-10/h2-5H,6H2,1H3,(H,16,17)",C13H10N2O3S3,,,,,,RPTCCZCUFYQVQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.362,255-417-2,41504-26-1,3-ethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxooxazolidin-4-one,"3-ethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxo-1,3-oxazolidin-4-one",O=C2C(=CC=C1CCCN1C)OC(=S)N2CC,O=C2C(=CC=C1CCCN1C)OC(=S)N2CC,"InChI=1/C12H16N2O2S/c1-3-14-11(15)10(16-12(14)17)7-6-9-5-4-8-13(9)2/h6-7H,3-5,8H2,1-2H3",C12H16N2O2S,,,,,,YADMFLGOGVPZGG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.364,255-419-3,41506-62-1,N-(4-acetylaminophenyl)-3-hydroxynaphthalene-2-carboxamide,N-(4-acetamidophenyl)-3-hydroxy-2-naphthamide,CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1,"InChI=1/C19H16N2O3/c1-12(22)20-15-6-8-16(9-7-15)21-19(24)17-10-13-4-2-3-5-14(13)11-18(17)23/h2-11,23H,1H3,(H,20,22)(H,21,24)",C19H16N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10876,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.364,MSRUOXBBGPWHEG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.366,255-421-4,41513-04-6,2-bromo-5-chloronitrobenzene,1-bromo-4-chloro-2-nitrobenzene,[O-][N+](=O)c1cc(Cl)ccc1Br,[O-][N+](=O)c1cc(Cl)ccc1Br,InChI=1/C6H3BrClNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,C6H3BrClNO2,,,,,,UKTIMFAJRPSNGR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.131,252-960-7,36306-86-2,"1-ethoxy-4-(1-ethoxyvinyl)-3,3,5,5-tetramethylcyclohexene","1-ethoxy-4-(1-ethoxyvinyl)-3,3,5,5-tetramethylcyclohexene",CCOC(=C)C1C(C)(C)CC(=CC1(C)C)OCC,CCOC(=C)C1C(C)(C)CC(=CC1(C)C)OCC,"InChI=1/C16H28O2/c1-8-17-12(3)14-15(4,5)10-13(18-9-2)11-16(14,6)7/h10,14H,3,8-9,11H2,1-2,4-7H3",C16H28O2,,,,,,FECJTTMWFXVFRG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.133,252-962-8,36307-61-6,Aminomethanetricarbonitrile,aminomethanetricarbonitrile,NC(C#N)(C#N)C#N,NC(C#N)(C#N)C#N,"InChI=1/C4H2N4/c5-1-4(8,2-6)3-7/h8H2",C4H2N4,,,,,,QFWLDOKFOKXQTO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.136,252-965-4,36311-36-1,Isodecyl formate,8-methylnonyl formate,CC(C)CCCCCCCOC=O,CC(C)CCCCCCCOC=O,"InChI=1/C11H22O2/c1-11(2)8-6-4-3-5-7-9-13-10-12/h10-11H,3-9H2,1-2H3",C11H22O2,,,,,,IAZGXKVGMCDFMK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.144,252-974-3,36322-90-4,Piroxicam,"4-hydroxy-2-methyl-N-pyridin-2-yl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide",CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3,CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3,"InChI=1/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",C15H13N3O4S,,,,,,QYSPLQLAKJAUJT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.154,252-985-3,36341-65-8,3-(hexadecylamino)propiononitrile,3-(hexadecylamino)propanenitrile,CCCCCCCCCCCCCCCCNCCC#N,CCCCCCCCCCCCCCCCNCCC#N,"InChI=1/C19H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h21H,2-16,18-19H2,1H3",C19H38N2,,,,,,HURZPRHLIMBWPK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.156,252-987-4,36343-05-2,N-methylheptylamine,N-methylheptan-1-amine,CCCCCCCNC,CCCCCCCNC,"InChI=1/C8H19N/c1-3-4-5-6-7-8-9-2/h9H,3-8H2,1-2H3",C8H19N,,,,,,LTGYRKOQQQWWAF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.157,252-989-5,36349-67-4,Phenoxybenzoic acid,2-phenoxybenzoic acid,OC(=O)c1ccccc1Oc2ccccc2,OC(=O)c1ccccc1Oc2ccccc2,"InChI=1/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)",C13H10O3,,,,,,PKRSYEPBQPFNRB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.161,252-993-7,36354-96-8,"Distearic acid, diamide with N-(2-aminoethyl)ethane-1,2-diamine","N,N'-(iminodiethane-2,1-diyl)dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H81N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-38H2,1-2H3,(H,42,44)(H,43,45)",C40H81N3O2,,,,,,XFRHMVNVCKLHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.162,252-994-2,36355-01-8,"Hexabromo-1,1'-biphenyl","2,2',3,3',4,4'-hexabromobiphenyl",Brc1ccc(c(Br)c1Br)c2ccc(Br)c(Br)c2Br,Brc1ccc(c(Br)c1Br)c2ccc(Br)c(Br)c2Br,InChI=1/C12H4Br6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H,C12H4Br6,,,,,,PTJQVJQAZSLKJO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.164,252-996-3,36357-77-4,N-[N-[[(6-deoxy-a-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl]-L-tryptophan,"2-{[2-({hydroxy[(3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]phosphoryl}amino)-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoic acid (non-preferred name)",CC(C)C[C@H](NP(=O)(O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O,CC(C)C[C@H](NP(=O)(O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O,"InChI=1/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)",C23H34N3O10P,,,,,,ZPHBZEQOLSRPAK-XLCYBJAPSA-N,,,,,,,,,,,
100.048.167,253-001-5,36365-79-4,(2-thioxo-4-thiazolin-4-yl)acetic acid,"(2-thioxo-2,3-dihydro-1,3-thiazol-4-yl)acetic acid",OC(=O)CC1=CSC(=S)N1,OC(=O)CC1=CSC(=S)N1,"InChI=1/C5H5NO2S2/c7-4(8)1-3-2-10-5(9)6-3/h2H,1H2,(H,6,9)(H,7,8)",C5H5NO2S2,,,,,,VKONPNAILGGMSR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.170,253-004-1,36377-33-0,DL-12-hydroxystearic acid,12-hydroxyoctadecanoic acid,CCCCCCC(O)CCCCCCCCCCC(=O)O,CCCCCCC(O)CCCCCCCCCCC(=O)O,"InChI=1/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",C18H36O3,,,,,,ULQISTXYYBZJSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.175,253-009-9,36389-86-3,Sodium xylo-hex-2-ulosonate,"sodium 3,4,5,6-tetrahydroxy-2-oxohexanoate (non-preferred name)",[Na+].OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)C(=O)[O-],[Na+].OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)C(=O)[O-],"InChI=1/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-4,7-10H,1H2,(H,12,13);/q;+1/p-1",C6H10O7.Na,,,,,,OFCZUBZXJNUXBT-HAYYNCRMSA-M,,,,,,,,,,,
100.048.176,253-010-4,36392-66-2,Calcium 6-acetamidohexanoate,calcium bis(6-acetamidohexanoate),[Ca+2].CC(=O)NCCCCCC(=O)[O-].CC(=O)NCCCCCC(=O)[O-],[Ca+2].CC(=O)NCCCCCC(=O)[O-].CC(=O)NCCCCCC(=O)[O-],"InChI=1/2C8H15NO3.Ca/c2*1-7(10)9-6-4-2-3-5-8(11)12;/h2*2-6H2,1H3,(H,9,10)(H,11,12);/q;;+2/p-2",C8H15NO3.1/2Ca,,,,,,SBWAKKRVPRVVTI-UHFFFAOYSA-L,,,,,,,,,,,
100.047.843,252-643-3,35609-19-9,(+)-(1-methylpyrrolidin-2-yl)methyl bis(4-chlorophenoxy)acetate hydrochloride,(1-methylpyrrolidin-2-yl)methyl bis(4-chlorophenoxy)acetate hydrochloride,Cl.CN1CCCC1COC(=O)C(Oc2ccc(Cl)cc2)Oc3ccc(Cl)cc3,Cl.CN1CCCC1COC(=O)C(Oc2ccc(Cl)cc2)Oc3ccc(Cl)cc3,"InChI=1/C20H21Cl2NO4.ClH/c1-23-12-2-3-16(23)13-25-19(24)20(26-17-8-4-14(21)5-9-17)27-18-10-6-15(22)7-11-18;/h4-11,16,20H,2-3,12-13H2,1H3;1H",C20H21Cl2NO4.ClH,,,,,,YGENWOBCNLXMJO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.405,278-568-6,76897-80-8,"[[4-[[6-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]hexyl]methylamino]-2-methylphenyl]methylene]malononitrile","{4-[(6-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}hexyl)(methyl)amino]-2-methylbenzylidene}malononitrile",CCN(CCCCCCN(C)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCCCCCN(C)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C31H34N6/c1-5-37(31-13-11-29(25(3)17-31)19-27(22-34)23-35)15-9-7-6-8-14-36(4)30-12-10-28(24(2)16-30)18-26(20-32)21-33/h10-13,16-19H,5-9,14-15H2,1-4H3",C31H34N6,,,,,,ULWSOHSPXPGMRN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.407,278-570-7,76903-88-3,"3,4-difluorobenzoyl chloride","3,4-difluorobenzoyl chloride",Fc1ccc(cc1F)C(=O)Cl,Fc1ccc(cc1F)C(=O)Cl,InChI=1/C7H3ClF2O/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3H,C7H3ClF2O,,,,,,RPQWXGVZELKOEU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.409,278-572-8,76907-21-6,"N-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetamide","N-ethyl-2-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)acetamide",CCNC(=O)CC1NCCc2c1[nH]c3ccccc23,CCNC(=O)CC1NCCc2c1[nH]c3ccccc23,"InChI=1/C15H19N3O/c1-2-16-14(19)9-13-15-11(7-8-17-13)10-5-3-4-6-12(10)18-15/h3-6,13,17-18H,2,7-9H2,1H3,(H,16,19)",C15H19N3O,,,,,,RQMYYBHPURCACN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.594,282-079-3,84099-99-0,"Sodium 2-[[3-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-nitrobenzenesulphonate","sodium 2-({3-[(3-amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)-5-nitrobenzenesulfonate",[Na+].Oc2c(ccc(O)c2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc3ccc(cc3S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc2c(ccc(O)c2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc3ccc(cc3S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C18H13N7O9S.Na/c19-11-7-9(1-5-14(11)25(30)31)20-23-17-15(26)6-4-13(18(17)27)22-21-12-3-2-10(24(28)29)8-16(12)35(32,33)34;/h1-8,26-27H,19H2,(H,32,33,34);/q;+1/p-1",C18H13N7O9S.Na,,,,,,SMXYAYHJSYHCIW-UHFFFAOYSA-M,,,,,,,,,,,
100.074.597,282-083-5,84100-02-7,3-methyl-5-[(6-sulpho-2-naphthyl)azo]salicylic acid,2-hydroxy-3-methyl-5-[(6-sulfo-2-naphthyl)diazenyl]benzoic acid,Cc3cc(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)cc(C(O)=O)c3O,Cc3cc(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)cc(C(O)=O)c3O,"InChI=1/C18H14N2O6S/c1-10-6-14(9-16(17(10)21)18(22)23)20-19-13-4-2-12-8-15(27(24,25)26)5-3-11(12)7-13/h2-9,21H,1H3,(H,22,23)(H,24,25,26)",C18H14N2O6S,,,,,,TXCLQELZMLNMFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.599,282-085-6,84100-04-9,"4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonic acid","4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonic acid",Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)c(cc4)S(O)(=O)=O,Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)c(cc4)S(O)(=O)=O,"InChI=1/C19H16ClN9O7S2/c1-9-15(16(30)29(28-9)11-3-5-12(6-4-11)37(31,32)33)27-26-13-8-10(2-7-14(13)38(34,35)36)22-19-24-17(20)23-18(21)25-19/h2-8,15H,1H3,(H,31,32,33)(H,34,35,36)(H3,21,22,23,24,25)",C19H16ClN9O7S2,,,,,,VEJQKVWMVKTOJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.602,282-088-2,84100-07-2,"N-(2-chloroethyl)-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]propionamide","N-(2-chloroethyl)-N~3~-ethyl-N~3~-{4-[(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl}-beta-alaninamide",ClCCNC(=O)CCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,ClCCNC(=O)CCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,"InChI=1/C20H21ClN6O3S/c1-2-26(12-9-19(28)22-11-10-21)15-5-3-14(4-6-15)23-24-20-17-13-16(27(29)30)7-8-18(17)25-31-20/h3-8,13H,2,9-12H2,1H3,(H,22,28)",C20H21ClN6O3S,,,,,,UDSMBLVBRYEGJY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.608,282-095-0,84100-13-0,"3,3,4,4,5,5,6,6,7,7,7-undecafluorohept-1-ene","3,3,4,4,5,5,6,6,7,7,7-undecafluorohept-1-ene",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C,"InChI=1/C7H3F11/c1-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H,1H2",C7H3F11,,,,,,QAFBNSWDAGQWLF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.610,282-097-1,84100-15-2,2-[N-(p-chlorophenyl)carbamoyl]-3-naphthyl acetate,3-[(4-chlorophenyl)carbamoyl]-2-naphthyl acetate,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3,"InChI=1/C19H14ClNO3/c1-12(22)24-18-11-14-5-3-2-4-13(14)10-17(18)19(23)21-16-8-6-15(20)7-9-16/h2-11H,1H3,(H,21,23)",C19H14ClNO3,,,,,,INHDDLDQONYNHO-UHFFFAOYSA-N,,,,,,,,,,,
100.074.617,282-104-8,84100-23-2,"4-(1,1-dimethylethyl)cyclohexyl acrylate",4-tert-butylcyclohexyl acrylate,CC(C)(C)C1CCC(CC1)OC(=O)C=C,CC(C)(C)C1CCC(CC1)OC(=O)C=C,"InChI=1/C13H22O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h5,10-11H,1,6-9H2,2-4H3",C13H22O2,,,,,,LAIJAUHBAWLPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.243,284-998-5,85005-65-8,"(4-anilino-2,4-dioxobutyl)trimethylammonium chloride","4-anilino-N,N,N-trimethyl-2,4-dioxobutan-1-aminium chloride",[Cl-].C[N+](C)(C)CC(=O)CC(=O)Nc1ccccc1,[Cl-].C[N+](C)(C)CC(=O)CC(=O)Nc1ccccc1,"InChI=1/C13H18N2O2.ClH/c1-15(2,3)10-12(16)9-13(17)14-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H",C13H19N2O2.Cl,,,,,,ULDWYIBZWNNLMT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.422,278-586-4,76995-02-3,"Benzothiazole-2(3H)-thione, compound with 2,2',2''-nitrilotris[ethanol] (1:1)","1,3-benzothiazole-2(3H)-thione - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.S=C1Nc2ccccc2S1,OCCN(CCO)CCO.S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.C6H15NO3/c9-7-8-5-3-1-2-4-6(5)10-7;8-4-1-7(2-5-9)3-6-10/h1-4H,(H,8,9);8-10H,1-6H2",C7H5NS2.C6H15NO3,,,,,,QQAAXUSDJLLEOS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.998,255-016-2,40635-66-3,2-acetoxyisobutyroyl chloride,"2-chloro-1,1-dimethyl-2-oxoethyl acetate",CC(=O)OC(C)(C)C(=O)Cl,CC(=O)OC(C)(C)C(=O)Cl,"InChI=1/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3",C6H9ClO3,,,,,,RBTCRFLJLUNCLL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.503,256-672-2,50638-47-6,4-bromo-2-chloroanisole,4-bromo-2-chloro-1-methoxybenzene,COc1ccc(Br)cc1Cl,COc1ccc(Br)cc1Cl,"InChI=1/C7H6BrClO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3",C7H6BrClO,,,,,,FPIQNBOUYZLESW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.506,256-675-9,50639-00-4,2-ethylhex-2-enol,2-ethylhex-2-en-1-ol,CCC(=CCCC)CO,CCC(=CCCC)CO,"InChI=1/C8H16O/c1-3-5-6-8(4-2)7-9/h6,9H,3-5,7H2,1-2H3",C8H16O,,,,,,JSRFYJBJQPGAAA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.507,256-676-4,50639-37-7,"3,5-bis(6-isocyanatohexyl)-2H-1,3,5-oxadiazine-2,4,6(3H,5H)-trione","3,5-bis(6-isocyanatohexyl)-1,3,5-oxadiazinane-2,4,6-trione",O=C=NCCCCCCN1C(=O)OC(=O)N(CCCCCCN=C=O)C1=O,O=C=NCCCCCCN1C(=O)OC(=O)N(CCCCCCN=C=O)C1=O,InChI=1/C17H24N4O6/c22-13-18-9-5-1-3-7-11-20-15(24)21(17(26)27-16(20)25)12-8-4-2-6-10-19-14-23/h1-12H2,C17H24N4O6,,,,,,CWYAQUMZIHGIEF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.512,256-682-7,50649-56-4,4-pentylphenyl 4-octyloxybenzoate,4-pentylphenyl 4-(octyloxy)benzoate,CCCCCCCCOc1ccc(cc1)C(=O)Oc2ccc(CCCCC)cc2,CCCCCCCCOc1ccc(cc1)C(=O)Oc2ccc(CCCCC)cc2,"InChI=1/C26H36O3/c1-3-5-7-8-9-11-21-28-24-19-15-23(16-20-24)26(27)29-25-17-13-22(14-18-25)12-10-6-4-2/h13-20H,3-12,21H2,1-2H3",C26H36O3,,,,,,BDTRDPSFINNZRW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.513,256-683-2,50649-59-7,4-pentylphenyl p-toluate,4-pentylphenyl 4-methylbenzoate,CCCCCc1ccc(OC(=O)c2ccc(C)cc2)cc1,CCCCCc1ccc(OC(=O)c2ccc(C)cc2)cc1,"InChI=1/C19H22O2/c1-3-4-5-6-16-9-13-18(14-10-16)21-19(20)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3",C19H22O2,,,,,,OFNFLSYTTLXGBM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.517,256-687-4,50654-95-0,Perchlorophenyl 5-oxo-D-prolinate,pentachlorophenyl 5-oxoprolinate,Clc1c(Cl)c(Cl)c(OC(=O)C2CCC(=O)N2)c(Cl)c1Cl,Clc1c(Cl)c(Cl)c(OC(=O)C2CCC(=O)N2)c(Cl)c1Cl,"InChI=1/C11H6Cl5NO3/c12-5-6(13)8(15)10(9(16)7(5)14)20-11(19)3-1-2-4(18)17-3/h3H,1-2H2,(H,17,18)",C11H6Cl5NO3,,,,,,ZKGMBAZWQLUSMW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.520,256-691-6,50657-70-0,"2,2,2-trichloroethylidene dimethacrylate","2,2,2-trichloroethane-1,1-diyl bis(2-methylacrylate)",CC(=C)C(=O)OC(OC(=O)C(=C)C)C(Cl)(Cl)Cl,CC(=C)C(=O)OC(OC(=O)C(=C)C)C(Cl)(Cl)Cl,"InChI=1/C10H11Cl3O4/c1-5(2)7(14)16-9(10(11,12)13)17-8(15)6(3)4/h9H,1,3H2,2,4H3",C10H11Cl3O4,,,,,,JBSVNYYKRNVOME-UHFFFAOYSA-N,,,,,,,,,,,
100.051.525,256-696-3,50664-71-6,Cyclopropyl 4-ethylphenyl ketone,cyclopropyl(4-ethylphenyl)methanone,CCc1ccc(cc1)C(=O)C2CC2,CCc1ccc(cc1)C(=O)C2CC2,"InChI=1/C12H14O/c1-2-9-3-5-10(6-4-9)12(13)11-7-8-11/h3-6,11H,2,7-8H2,1H3",C12H14O,,,,,,DNNQUDHIAKQKFH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.526,256-697-9,50667-33-9,Ammonium 3-nitrosulphanilate,ammonium 4-amino-3-nitrobenzenesulfonate,[NH4+].Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-],[NH4+].Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H6N2O5S.H3N/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,7H2,(H,11,12,13);1H3",C6H6N2O5S.H3N,,,,,,PMIOTMCKYPQSSD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.527,256-698-4,50667-69-1,"2,2,2-trifluoro-N-(hydroxymethyl)acetamide","2,2,2-trifluoro-N-(hydroxymethyl)acetamide",OCNC(=O)C(F)(F)F,OCNC(=O)C(F)(F)F,"InChI=1/C3H4F3NO2/c4-3(5,6)2(9)7-1-8/h8H,1H2,(H,7,9)",C3H4F3NO2,,,,,,URUWXKFAEKTWKG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.528,256-700-3,50668-49-0,"13-methyl-3,6,9,12-tetraoxatetradecan-1-ol","13-methyl-3,6,9,12-tetraoxatetradecan-1-ol",CC(C)OCCOCCOCCOCCO,CC(C)OCCOCCOCCOCCO,"InChI=1/C11H24O5/c1-11(2)16-10-9-15-8-7-14-6-5-13-4-3-12/h11-12H,3-10H2,1-2H3",C11H24O5,,,,,,JECPJHZWLKEQFB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.533,256-706-6,50671-46-0,"2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium","4-{5,6-dichloro-3-ethyl-2-[3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-2,3-dihydro-1H-benzimidazol-1-yl}butane-1-sulfonate",[O-]S(=O)(=O)CCCCN4c5cc(Cl)c(Cl)cc5N(CC)C4=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3,[O-]S(=O)(=O)CCCCN4c5cc(Cl)c(Cl)cc5N(CC)C4=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3,"InChI=1/C31H31Cl2N3O4S/c1-3-34-26-20-24(32)25(33)21-27(26)36(17-8-9-18-41(37,38)39)30(34)13-10-14-31-35(4-2)28-19-23(15-16-29(28)40-31)22-11-6-5-7-12-22/h5-7,10-16,19-21H,3-4,8-9,17-18H2,1-2H3",C31H31Cl2N3O4S,,,,,,YZUGTCCVECNRBN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.167,256-303-5,47244-76-8,3-(2-hydroxyoctyl)oxiran-2-octanoic acid,8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoic acid,CCCCCCC(O)CC1OC1CCCCCCCC(=O)O,CCCCCCC(O)CC1OC1CCCCCCCC(=O)O,"InChI=1/C18H34O4/c1-2-3-4-8-11-15(19)14-17-16(22-17)12-9-6-5-7-10-13-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)",C18H34O4,,,,,,YKVUWOJSBYPADP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.168,256-304-0,47254-05-7,Spiroxepin,"N,N-dimethyl-1-(6H-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methanamine",CN(C)CC1COC2(O1)c3ccccc3COc4ccccc24,CN(C)CC1COC2(O1)c3ccccc3COc4ccccc24,"InChI=1/C19H21NO3/c1-20(2)11-15-13-22-19(23-15)16-8-4-3-7-14(16)12-21-18-10-6-5-9-17(18)19/h3-10,15H,11-13H2,1-2H3",C19H21NO3,,,,,,CMEBTCWURHMCEE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.009,258-329-2,53053-56-8,"(5Z,13E,15S)-11a,15-bis(1-ethoxyethoxy)-9a-hydroxyprosta-5,13-dien-1-oic acid","11,15-bis(1-ethoxyethoxy)-9-hydroxyprosta-5,13-dien-1-oic acid",CCCCC[C@H](OC(C)OCC)\\C=C\\[C@H]1[C@@H](C[C@H](O)[C@@H]1C\\C=C/CCCC(=O)O)OC(C)OCC,CCCCC[C@H](OC(C)OCC)\C=C\[C@H]1[C@@H](C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O)OC(C)OCC,"InChI=1/C28H50O7/c1-6-9-12-15-23(34-21(4)32-7-2)18-19-25-24(16-13-10-11-14-17-28(30)31)26(29)20-27(25)35-22(5)33-8-3/h10,13,18-19,21-27,29H,6-9,11-12,14-17,20H2,1-5H3,(H,30,31)",C28H50O7,,,,,,WLQQERQCJCWANE-SRILUVNOSA-N,,,,,,,,,,,
100.053.012,258-332-9,53055-05-3,3-methoxy-2-nitrobenzaldehyde,3-methoxy-2-nitrobenzaldehyde,COc1cccc(C=O)c1[N+](=O)[O-],COc1cccc(C=O)c1[N+](=O)[O-],"InChI=1/C8H7NO4/c1-13-7-4-2-3-6(5-10)8(7)9(11)12/h2-5H,1H3",C8H7NO4,,,,,,GDTUACILWWLIJF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.013,258-333-4,53057-53-7,"Docosa-1,21-diene","docosa-1,21-diene",C=CCCCCCCCCCCCCCCCCCCC=C,C=CCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2",C22H42,,,,,,RBJABTJRYMHYOP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.014,258-335-5,53061-07-7,5-chloro-2-methyl-3-(4-sulphonatobutyl)benzothiazolium,"4-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate",Cc1sc2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)[O-],Cc1sc2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)[O-],"InChI=1/C12H14ClNO3S2/c1-9-14(6-2-3-7-19(15,16)17)11-8-10(13)4-5-12(11)18-9/h4-5,8H,2-3,6-7H2,1H3",C12H14ClNO3S2,,,,,,PMWSHQYEXQSZEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.015,258-336-0,53061-10-2,Bis(2-chloroethylsulphonylmethyl) ether,1-chloro-2-[({[(2-chloroethyl)sulfonyl]methoxy}methyl)sulfonyl]ethane,ClCCS(=O)(=O)COCS(=O)(=O)CCCl,ClCCS(=O)(=O)COCS(=O)(=O)CCCl,"InChI=1/C6H12Cl2O5S2/c7-1-3-14(9,10)5-13-6-15(11,12)4-2-8/h1-6H2",C6H12Cl2O5S2,,,,,,PEPHICBDUBUZCC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.017,258-338-1,53064-74-7,Isopropyl thiophene-3-acetate,isopropyl 3-thienylacetate,CC(C)OC(=O)Cc1ccsc1,CC(C)OC(=O)Cc1ccsc1,"InChI=1/C9H12O2S/c1-7(2)11-9(10)5-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3",C9H12O2S,,,,,,UHMOHYVZZQBQIB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.018,258-339-7,53064-79-2,Iodomethyl pivalate,iodomethyl pivalate,CC(C)(C)C(=O)OCI,CC(C)(C)C(=O)OCI,"InChI=1/C6H11IO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3",C6H11IO2,,,,,,PELJISAVHGXLAL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.023,258-344-4,53075-46-0,(bicyclo[2.2.1]hept-2-yl)methyl acetate,bicyclo[2.2.1]hept-2-ylmethyl acetate,CC(=O)OCC1CC2CCC1C2,CC(=O)OCC1CC2CCC1C2,"InChI=1/C10H16O2/c1-7(11)12-6-10-5-8-2-3-9(10)4-8/h8-10H,2-6H2,1H3",C10H16O2,,,,,,PNHMYWBHPUEEDK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.025,258-347-0,53076-26-9,Moxaprindine,"N,N-diethyl-N'-(1-methoxy-2,3-dihydro-1H-inden-2-yl)-N'-phenylpropane-1,3-diamine",CCN(CC)CCCN(C1Cc2ccccc2C1OC)c3ccccc3,CCN(CC)CCCN(C1Cc2ccccc2C1OC)c3ccccc3,"InChI=1/C23H32N2O/c1-4-24(5-2)16-11-17-25(20-13-7-6-8-14-20)22-18-19-12-9-10-15-21(19)23(22)26-3/h6-10,12-15,22-23H,4-5,11,16-18H2,1-3H3",C23H32N2O,,,,,,QQGGXAOUSKREAE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.027,258-349-1,53082-57-8,Propyl 2-methylisocrotonate,propyl 2-methylbut-2-enoate,CCCOC(=O)\\C(=C/C)\\C,CCCOC(=O)\C(=C/C)\C,"InChI=1/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3",C8H14O2,,,,,,RZWMDOQSXWAAMC-ALCCZGGFSA-N,,,,,,,,,,,
100.053.031,258-353-3,53091-46-6,"4,4'-methylenebisbenzenediazonium bis(tetrafluoroborate)","4,4'-methylenedibenzenediazonium ditetrafluoroborate",F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccc(Cc2ccc(cc2)[N+]#N)cc1,F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccc(Cc2ccc(cc2)[N+]#N)cc1,"InChI=1/C13H10N4.2BF4/c14-16-12-5-1-10(2-6-12)9-11-3-7-13(17-15)8-4-11;2*2-1(3,4)5/h1-8H,9H2;;/q+2;2*-1",C13H10N4.2BF4,,,,,,GPVFQJGKMHMJIH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.036,258-359-6,53097-59-9,"2,3,4,5,6-pentabromostyrene","1,2,3,4,5-pentabromo-6-vinylbenzene",Brc1c(Br)c(Br)c(C=C)c(Br)c1Br,Brc1c(Br)c(Br)c(C=C)c(Br)c1Br,"InChI=1/C8H3Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2",C8H3Br5,,,,,,BMSUWQXMTMGEOM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.037,258-360-1,53097-60-2,Pentabromo(2-bromoethyl)benzene,"1,2,3,4,5-pentabromo-6-(2-bromoethyl)benzene",BrCCc1c(Br)c(Br)c(Br)c(Br)c1Br,BrCCc1c(Br)c(Br)c(Br)c(Br)c1Br,InChI=1/C8H4Br6/c9-2-1-3-4(10)6(12)8(14)7(13)5(3)11/h1-2H2,C8H4Br6,,,,,,VCKGAEKPOCKYJV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.046,258-370-6,53113-57-8,"Hydrogen [N,N-bis(carboxymethyl)glycinato(3-)-N,O,O',O'']zincate(1-)","[2,2',2''-nitrilotriacetato(2-)]zinc",OC(=O)CN1CC(=O)O[Zn]OC(=O)C1,OC(=O)CN1CC(=O)O[Zn]OC(=O)C1,"InChI=1/C6H9NO6.Zn/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+2/p-2",C6H6NO6Zn.H,,,,,,OUZIZSDIHWTACR-UHFFFAOYSA-L,,,,,,,,,,,
100.053.048,258-372-7,53114-57-1,2-methylisothiouronium chloride,amino(methylsulfanyl)methaniminium chloride,[Cl-].CSC(=[NH2+])N,[Cl-].CSC(=[NH2+])N,"InChI=1/C2H6N2S.ClH/c1-5-2(3)4;/h1H3,(H3,3,4);1H",C2H6N2S.ClH,,,,,,KRYWEAYKLGCRRH-UHFFFAOYSA-N,,,,,,,,,,,
100.050.625,255-706-3,42200-33-9,Nadolol,"5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol",CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12,CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12,"InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3",C17H27NO4,,,,,,VWPOSFSPZNDTMJ-UCWKZMIHSA-N,Positive,EQ307201|EQ307202|EQ307203|EQ307204|EQ307205|EQ307206,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,310.2014:254.1389:236.1285|254.1388:310.2014:236.1283|201.0911:74.0601:236.1283|74.0601:201.091:171.0805|74.0601:145.0649:56.0496|74.0601:145.0649:56.0496,Eawag,,,,,
100.047.845,252-645-4,35619-65-9,Tritiozine,"4-[(3,4,5-trimethoxyphenyl)carbonothioyl]morpholine",COc1cc(cc(OC)c1OC)C(=S)N2CCOCC2,COc1cc(cc(OC)c1OC)C(=S)N2CCOCC2,"InChI=1/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3",C14H19NO4S,,,,,,MVOUIYUWRXPNKD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.846,252-647-5,35620-71-4,2-phenoxynicotinic acid,2-phenoxynicotinic acid,OC(=O)c1cccnc1Oc2ccccc2,OC(=O)c1cccnc1Oc2ccccc2,"InChI=1/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)",C12H9NO3,,,,,,CQGAXJGXGLVFGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.847,252-648-0,35627-96-4,N-(2-hydroxypropyl)stearamide,N-(2-hydroxypropyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCC(C)O,CCCCCCCCCCCCCCCCCC(=O)NCC(C)O,"InChI=1/C21H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h20,23H,3-19H2,1-2H3,(H,22,24)",C21H43NO2,,,,,,QCTVGFNUKWXQNN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.850,252-651-7,35641-51-1,Tris(5-tert-butyl-4-hydroxy-o-tolyl)butane,"4,4',4''-butane-1,1,1-triyltris(2-tert-butyl-5-methylphenol)",CCCC(c1cc(c(O)cc1C)C(C)(C)C)(c2cc(c(O)cc2C)C(C)(C)C)c3cc(c(O)cc3C)C(C)(C)C,CCCC(c1cc(c(O)cc1C)C(C)(C)C)(c2cc(c(O)cc2C)C(C)(C)C)c3cc(c(O)cc3C)C(C)(C)C,"InChI=1/C37H52O3/c1-14-15-37(25-19-28(34(5,6)7)31(38)16-22(25)2,26-20-29(35(8,9)10)32(39)17-23(26)3)27-21-30(36(11,12)13)33(40)18-24(27)4/h16-21,38-40H,14-15H2,1-13H3",C37H52O3,,,,,,FCDMUZZVRLCTLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.851,252-652-2,35642-64-9,"7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid","7-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazenyl)naphthalene-1,3,6-trisulfonic acid",Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4,Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4,"InChI=1/C20H16ClN9O10S3/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28)",C20H16ClN9O10S3,,,,,,GFPPLTJOYVDEIS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.856,252-658-5,35658-04-9,Ethyl bicyclo[2.2.1]hept-2-ylacetate,ethyl bicyclo[2.2.1]hept-2-ylacetate,CCOC(=O)CC1CC2CCC1C2,CCOC(=O)CC1CC2CCC1C2,"InChI=1/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3",C11H18O2,,,,,,AUTDAVPVPASYDM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.857,252-659-0,35660-94-7,(E)-2-methylcrotonoyl chloride,2-methylbut-2-enoyl chloride,C\\C=C(/C)\\C(=O)Cl,C\C=C(/C)\C(=O)Cl,"InChI=1/C5H7ClO/c1-3-4(2)5(6)7/h3H,1-2H3",C5H7ClO,,,,,,TUNLYEHIVPWOHK-ONEGZZNKSA-N,,,,,,,,,,,
100.047.864,252-666-9,35674-56-7,2-benzylisoquinolinium chloride,2-benzylisoquinolinium chloride,[Cl-].C(c1ccccc1)[n+]2ccc3ccccc3c2,[Cl-].C(c1ccccc1)[n+]2ccc3ccccc3c2,"InChI=1/C16H14N.ClH/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;/h1-11,13H,12H2;1H/q+1;/p-1",C16H14N.Cl,,,,,,RFBYOCFNLRHJGJ-UHFFFAOYSA-M,,,,,,,,,,,
100.047.865,252-667-4,35674-65-8,"N,N''-propane-1,3-diylbis[N'-octadecylurea]","N',N'''-propane-1,3-diylbis(1-octadecylurea)",CCCCCCCCCCCCCCCCCCNC(=O)NCCCNC(=O)NCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCNC(=O)NCCCNC(=O)NCCCCCCCCCCCCCCCCCC,"InChI=1/C41H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42-40(46)44-38-35-39-45-41(47)43-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H2,42,44,46)(H2,43,45,47)",C41H84N4O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16791,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.865,UZXKVMHAGOJYHP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.866,252-669-5,35674-68-1,Zinc bis[12-hydroxyoctadecanoate],zinc bis(12-hydroxyoctadecanoate),[Zn+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O3.Zn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H36O3.1/2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5337,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.866,FRZSCIVUSFMNBX-UHFFFAOYSA-L,,,,,,,,,,,
100.049.377,254-334-9,39182-88-2,"N-(2,4-dimethyl-3-nitrophenyl)acetamide","N-(2,4-dimethyl-3-nitrophenyl)acetamide",CC(=O)Nc1ccc(C)c(c1C)[N+](=O)[O-],CC(=O)Nc1ccc(C)c(c1C)[N+](=O)[O-],"InChI=1/C10H12N2O3/c1-6-4-5-9(11-8(3)13)7(2)10(6)12(14)15/h4-5H,1-3H3,(H,11,13)",C10H12N2O3,,,,,,UCPGMSZAKZKWRS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.539,256-712-9,50683-26-6,"Butyl dihydrogen phosphate, sodium salt",-,[Na+].CCCCOP(=O)(O)O,[Na+].CCCCOP(=O)(O)O,"InChI=1/C4H11O4P.Na/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1",C4H11O4P.xNa,,,,,,GEKVJYLMCASORH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.540,256-713-4,50683-27-7,"Butyl dihydrogen phosphate, ammonium salt",-,[NH4+].CCCCOP(=O)(O)O,[NH4+].CCCCOP(=O)(O)O,"InChI=1/C4H11O4P.H3N/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);1H3/p+1",C4H11O4P.xH3N,,,,,,FTGVBNYAAXQWQM-UHFFFAOYSA-O,,,,,,,,,,,
100.051.548,256-722-3,50698-76-5,S-(carboxymethyl)-D-cysteine,N-(carboxymethyl)-D-cysteine,OC(=O)CN[C@H](CS)C(=O)O,OC(=O)CN[C@H](CS)C(=O)O,"InChI=1/C5H9NO4S/c7-4(8)1-6-3(2-11)5(9)10/h3,6,11H,1-2H2,(H,7,8)(H,9,10)",C5H9NO4S,,,,,,VUCDIRJQEQYQRN-GSVOUGTGSA-N,,,,,,,,,,,
100.071.424,278-589-0,77001-54-8,"5-[[4-(dimethylamino)phenyl]methylene]-1,2,5,6-tetrahydro-1-(2-hydroxyethyl)-4-methyl-2,6-dioxonicotinonitrile","5-[4-(dimethylamino)benzylidene]-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile",OCCN2C(=O)C(\\C#N)=C(\\C)C(=Cc1ccc(cc1)N(C)C)C2=O,OCCN2C(=O)C(\C#N)=C(\C)C(=Cc1ccc(cc1)N(C)C)C2=O,"InChI=1/C18H19N3O3/c1-12-15(10-13-4-6-14(7-5-13)20(2)3)17(23)21(8-9-22)18(24)16(12)11-19/h4-7,10,22H,8-9H2,1-3H3",C18H19N3O3,,,,,,RAAIJYFEUBHAPK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.434,278-600-9,77061-50-8,"6-amino-7-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione","6-amino-7-bromonaphtho[2,3-c]acridine-5,8,14(13H)-trione",Nc1c(Br)c2C(=O)c3ccccc3Nc2c4C(=O)c5ccccc5C(=O)c14,Nc1c(Br)c2C(=O)c3ccccc3Nc2c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C21H11BrN2O3/c22-16-15-18(24-12-8-4-3-7-11(12)21(15)27)14-13(17(16)23)19(25)9-5-1-2-6-10(9)20(14)26/h1-8H,23H2,(H,24,27)",C21H11BrN2O3,,,,,,CGUVQSVASMLCTI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.437,278-604-0,77078-22-9,2-[2-(2-methoxyethoxy)ethoxy]propane,2-[2-(2-methoxyethoxy)ethoxy]propane,COCCOCCOC(C)C,COCCOCCOC(C)C,"InChI=1/C8H18O3/c1-8(2)11-7-6-10-5-4-9-3/h8H,4-7H2,1-3H3",C8H18O3,,,,,,RJBIZCOYFBKBIM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.440,278-607-7,77085-57-5,(E)-5-undecylidenefuran-2(5H)-one,5-undecylidenefuran-2(5H)-one,CCCCCCCCCC\\C=C/1\\OC(=O)C=C1,CCCCCCCCCC\C=C/1\OC(=O)C=C1,"InChI=1/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15(16)17-14/h11-13H,2-10H2,1H3",C15H24O2,,,,,,QIKKUOPGWZUABH-SDNWHVSQSA-N,,,,,,,,,,,
100.071.444,278-611-9,77085-64-4,(Z)-5-nonylidenefuran-2(5H)-one,5-nonylidenefuran-2(5H)-one,CCCCCCCC\\C=C\\1/OC(=O)C=C1,CCCCCCCC\C=C\1/OC(=O)C=C1,"InChI=1/C13H20O2/c1-2-3-4-5-6-7-8-9-12-10-11-13(14)15-12/h9-11H,2-8H2,1H3",C13H20O2,,,,,,IJOKSZJPYRAWLL-XFXZXTDPSA-N,,,,,,,,,,,
100.071.447,278-615-0,77087-96-8,Methyl 3-amino-N-cyano-3-methoxyacrylimidate,methyl 3-amino-N-cyano-3-methoxyprop-2-enimidoate,N#CN=C(/C=C(/N)OC)OC,N#CN=C(/C=C(/N)OC)OC,"InChI=1/C6H9N3O2/c1-10-5(8)3-6(11-2)9-4-7/h3H,8H2,1-2H3",C6H9N3O2,,,,,,DMLIIWGDMRBECT-MBVLSBFJSA-N,,,,,,,,,,,
100.071.455,278-623-4,77104-99-5,"3-[4-(1,1-dimethylethyl)phenyl]propenyl acetate",3-(4-tert-butylphenyl)prop-1-en-1-yl acetate,CC(C)(C)c1ccc(CC=COC(C)=O)cc1,CC(C)(C)c1ccc(CC=COC(C)=O)cc1,"InChI=1/C15H20O2/c1-12(16)17-11-5-6-13-7-9-14(10-8-13)15(2,3)4/h5,7-11H,6H2,1-4H3",C15H20O2,,,,,,IFIVPISMBCMKBF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.457,278-626-0,77118-93-5,Methyl R-3-acetoxyhexanoate,methyl 3-acetoxyhexanoate,CCC[C@H](CC(=O)OC)OC(=O)C,CCC[C@H](CC(=O)OC)OC(=O)C,"InChI=1/C9H16O4/c1-4-5-8(13-7(2)10)6-9(11)12-3/h8H,4-6H2,1-3H3",C9H16O4,,,,,,ODICPWSNEYHYSJ-MRVPVSSYSA-N,,,,,,,,,,,
100.073.335,280-692-0,83759-53-9,(3-chloro-2-hydroxypropyl)trimethylammonium acetate,"3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium acetate",CC(=O)[O-].C[N+](C)(C)CC(O)CCl,CC(=O)[O-].C[N+](C)(C)CC(O)CCl,"InChI=1/C6H15ClNO.C2H4O2/c1-8(2,3)5-6(9)4-7;1-2(3)4/h6,9H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C6H15ClNO.C2H3O2,,,,,,NVFWOAQKTNPUEN-UHFFFAOYSA-M,,,,,,,,,,,
100.073.337,280-694-1,83763-10-4,2-[chloro(4-methoxyphenyl)methylene]butyraldehyde,2-[chloro(4-methoxyphenyl)methylene]butanal,COc1ccc(cc1)C(Cl)=C(C=O)CC,COc1ccc(cc1)C(Cl)=C(C=O)CC,"InChI=1/C12H13ClO2/c1-3-9(8-14)12(13)10-4-6-11(15-2)7-5-10/h4-8H,3H2,1-2H3",C12H13ClO2,,,,,,ABWVUAVDXVJZPA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.342,280-699-9,83763-15-9,"Ethyl 4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate","ethyl 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-3,6-dihydropyridine-1(2H)-carboxylate",CCOC(=O)N1CCC(=CC1)N2C(=O)Nc3ccccc23,CCOC(=O)N1CCC(=CC1)N2C(=O)Nc3ccccc23,"InChI=1/C15H17N3O3/c1-2-21-15(20)17-9-7-11(8-10-17)18-13-6-4-3-5-12(13)16-14(18)19/h3-7H,2,8-10H2,1H3,(H,16,19)",C15H17N3O3,,,,,,ZDMLTXBNJOAXBY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.350,280-708-6,83763-24-0,"N,N-dimethyl-4-phenylpiperidine-4-carboxamide monohydrochloride","N,N-dimethyl-4-phenylpiperidine-4-carboxamide hydrochloride",Cl.CN(C)C(=O)C1(CCNCC1)c2ccccc2,Cl.CN(C)C(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C14H20N2O.ClH/c1-16(2)13(17)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,8-11H2,1-2H3;1H",C14H20N2O.ClH,,,,,,ROKCJJLJVBHNEV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.253,278-401-7,76247-40-0,"Chloromethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide","chloromethyl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide",CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)OCCl,CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)OCCl,"InChI=1/C9H12ClNO5S/c1-9(2)7(8(13)16-4-10)11-5(12)3-6(11)17(9,14)15/h6-7H,3-4H2,1-2H3",C9H12ClNO5S,,,,,,AKDMNWSBLXHXGL-RQJHMYQMSA-N,,,,,,,,,,,
100.071.256,278-404-3,76253-60-6,Dichloro[(dichlorophenyl)methyl]methylbenzene,"1,2-dichloro-3-(2,2-dichloro-2-phenylethyl)benzene",Clc1cccc(CC(Cl)(Cl)c2ccccc2)c1Cl,Clc1cccc(CC(Cl)(Cl)c2ccccc2)c1Cl,"InChI=1/C14H10Cl4/c15-12-8-4-5-10(13(12)16)9-14(17,18)11-6-2-1-3-7-11/h1-8H,9H2",C14H10Cl4,,,,,,YAYSVTJKFDKJFP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.257,278-405-9,76258-20-3,"Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","dimethyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate",COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2cccc(c2)[N+](=O)[O-],COC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2cccc(c2)[N+](=O)[O-],"InChI=1/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8H,1-4H3",C17H16N2O6,,,,,,WLSSRGYMMSQMGL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.170,256-306-1,47300-91-4,2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]benzenediazonium,2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]benzenediazonium,COc2cc(N=Nc1ccc(C)cc1[N+]([O-])=O)c(C)cc2[N+]#N,COc2cc(N=Nc1ccc(C)cc1[N+]([O-])=O)c(C)cc2[N+]#N,"InChI=1/C15H14N5O3/c1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2/h4-8H,1-3H3/q+1",C15H14N5O3,,,,,,MNGIEBPLECQOJF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.173,256-309-8,47346-96-3,"(E)-N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propylamine","N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propan-1-amine",CN(C)CC\\C=C\\1/c2ccccc2Sc3ccc(cc13)C(F)(F)F,CN(C)CC\C=C\1/c2ccccc2Sc3ccc(cc13)C(F)(F)F,"InChI=1/C19H18F3NS/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22/h3-4,6-10,12H,5,11H2,1-2H3",C19H18F3NS,,,,,,XVQXETRXWKTQSQ-VGOFMYFVSA-N,,,,,,,,,,,
100.051.184,256-321-3,47555-10-2,1-(octadec-9-enyl)-5-oxopyrrolidine-3-carboxylic acid,1-octadec-9-en-1-yl-5-oxopyrrolidine-3-carboxylic acid,OC(=O)C1CC(=O)N(CCCCCCCCC=CCCCCCCCC)C1,OC(=O)C1CC(=O)N(CCCCCCCCC=CCCCCCCCC)C1,"InChI=1/C23H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25/h9-10,21H,2-8,11-20H2,1H3,(H,26,27)",C23H41NO3,,,,,,OLRBXRSNJFXWTD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.185,256-322-9,47562-08-3,Lorajmine,21-hydroxyajmalan-17-yl chloroacetate,CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)CCl)C3[C@H]1C[C@H]2[C@@H]4N(C)c6ccccc56,CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)CCl)C3[C@H]1C[C@H]2[C@@H]4N(C)c6ccccc56,"InChI=1/C22H27ClN2O3/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3",C22H27ClN2O3,,,,,,LAHDERDHXJFFJU-KBFYUGGWSA-N,,,,,,,,,,,
100.051.189,256-327-6,47660-35-5,2-[2-methoxy-4-[[(3-methyl-3H-benzothiazol-2-ylidene)hydrazono]methyl]phenoxy]ethyl methacrylate,"2-{2-methoxy-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)carbonohydrazonoyl]phenoxy}ethyl methacrylate",CC(=C)C(=O)OCCOc1ccc(cc1OC)C=NN=C3Sc2ccccc2N3C,CC(=C)C(=O)OCCOc1ccc(cc1OC)C=NN=C3Sc2ccccc2N3C,"InChI=1/C22H23N3O4S/c1-15(2)21(26)29-12-11-28-18-10-9-16(13-19(18)27-4)14-23-24-22-25(3)17-7-5-6-8-20(17)30-22/h5-10,13-14H,1,11-12H2,2-4H3",C22H23N3O4S,,,,,,RNPYQIUMSQHJTO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.190,256-328-1,47676-48-2,"Ethyl 3a,7a,12a-trihydroxy-5ß-cholan-24-oate","ethyl 3,7,12-trihydroxycholan-24-oate",CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3",C26H44O5,,,,,,FPDXMWHJGOCDQJ-HZAMXZRMSA-N,,,,,,,,,,,
100.051.191,256-329-7,47688-63-1,"1-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-3-dodecylpyrrolidine-2,5-dione","1-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)-3-dodecylpyrrolidine-2,5-dione",CCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN)C1=O,CCCCCCCCCCCCC1CC(=O)N(CCNCCNCCNCCN)C1=O,"InChI=1/C24H49N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-22-21-23(30)29(24(22)31)20-19-28-18-17-27-16-15-26-14-13-25/h22,26-28H,2-21,25H2,1H3",C24H49N5O2,,,,,,ATGTYGYDYULSEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.192,256-330-2,47689-51-0,Diboron tetraphenyl pentaoxide,-,O(B(Oc1ccccc1)Oc2ccccc2)B(Oc3ccccc3)Oc4ccccc4,O(B(Oc1ccccc1)Oc2ccccc2)B(Oc3ccccc3)Oc4ccccc4,InChI=1/C24H20B2O5/c1-5-13-21(14-6-1)27-25(28-22-15-7-2-8-16-22)31-26(29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20H,C24H20B2O5,,,,,,XVBHFHCERYZSLH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.194,256-332-3,47747-56-8,Talampicillin,"3-oxo-1,3-dihydro-2-benzofuran-1-yl 6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC4OC(=O)c5ccccc45,CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC4OC(=O)c5ccccc45,"InChI=1/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)",C24H23N3O6S,,,,,,SOROUYSPFADXSN-XDBZAZGESA-N,,,,,,,,,,,
100.051.195,256-333-9,47749-96-2,"4-[[(1,1-dimethylethyl)amino]acetyl]-1,2-phenylene di-p-toluate","4-(N-tert-butylglycyl)-1,2-phenylene bis(4-methylbenzoate)",Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC(=O)c3ccc(C)cc3)C(=O)CNC(C)(C)C,Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC(=O)c3ccc(C)cc3)C(=O)CNC(C)(C)C,"InChI=1/C28H29NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,29H,17H2,1-5H3",C28H29NO5,,,,,,BKHHMEFQCZTOSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.204,256-343-3,47932-35-4,Isopentadecylamine,13-methyltetradecan-1-amine,CC(C)CCCCCCCCCCCCN,CC(C)CCCCCCCCCCCCN,"InChI=1/C15H33N/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15H,3-14,16H2,1-2H3",C15H33N,,,,,,UPLLOZNXRIMQKE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.132,252-961-2,36306-87-3,"4-(1-ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone","4-(1-ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone",CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C,CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C,"InChI=1/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3",C14H24O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18827,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.132,YLNYLLVKHRZLGO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.633,255-715-2,42228-32-0,"6'-[ethyl(p-tolyl)amino]-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-[ethyl(4-methylphenyl)amino]-2'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(C)cc4C35OC(=O)c6ccccc56)c2,CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(C)cc4C35OC(=O)c6ccccc56)c2,"InChI=1/C30H25NO3/c1-4-31(21-12-9-19(2)10-13-21)22-14-15-25-28(18-22)33-27-16-11-20(3)17-26(27)30(25)24-8-6-5-7-23(24)29(32)34-30/h5-18H,4H2,1-3H3",C30H25NO3,,,,,,WZEDZFRFJVWYBI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.637,255-719-4,42231-50-5,Dodecyl decanoate,dodecyl decanoate,CCCCCCCCCCCCOC(=O)CCCCCCCCC,CCCCCCCCCCCCOC(=O)CCCCCCCCC,"InChI=1/C22H44O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22(23)20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3",C22H44O2,,,,,,MNOODXPYABBZMC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.640,255-723-6,42232-25-7,Hexyl palmitate,hexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCCC,"InChI=1/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3",C22H44O2,,,,,,IOVYZELOJXWQKD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.641,255-724-1,42232-27-9,Decyl palmitate,decyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,"InChI=1/C26H52O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26(27)28-25-23-21-19-12-10-8-6-4-2/h3-25H2,1-2H3",C26H52O2,,,,,,IYDRZGXWJPJSNY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.643,255-726-2,42232-36-0,Butyl heptadecanoate,butyl heptadecanoate,CCCCCCCCCCCCCCCCC(=O)OCCCC,CCCCCCCCCCCCCCCCC(=O)OCCCC,"InChI=1/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-6-4-2/h3-20H2,1-2H3",C21H42O2,,,,,,JXVPAYIPRLGMCX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.646,255-729-9,42233-70-5,Didocosyl azelate,didocosyl azelaate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C53H104O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-46-50-56-52(54)48-44-40-39-41-45-49-53(55)57-51-47-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-51H2,1-2H3",C53H104O4,,,,,,SJEWQCUENCROCS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.648,255-732-5,42233-97-6,Dioctyl dodecanedioate,dioctyl dodecanedioate,CCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCC,"InChI=1/C28H54O4/c1-3-5-7-9-17-21-25-31-27(29)23-19-15-13-11-12-14-16-20-24-28(30)32-26-22-18-10-8-6-4-2/h3-26H2,1-2H3",C28H54O4,,,,,,VOPZYEZDPBASFO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.650,255-734-6,42234-10-6,Didocosyl dodecanedioate,didocosyl dodecanedioate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C56H110O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41-45-49-53-59-55(57)51-47-43-39-35-36-40-44-48-52-56(58)60-54-50-46-42-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-54H2,1-2H3",C56H110O4,,,,,,DUYUVCLWGQJKMD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.653,255-737-2,42251-41-2,2-(diethylamino)-4'-fluoropropiophenone hydrochloride,2-(diethylamino)-1-(4-fluorophenyl)propan-1-one hydrochloride,Cl.CCN(CC)C(C)C(=O)c1ccc(F)cc1,Cl.CCN(CC)C(C)C(=O)c1ccc(F)cc1,"InChI=1/C13H18FNO.ClH/c1-4-15(5-2)10(3)13(16)11-6-8-12(14)9-7-11;/h6-10H,4-5H2,1-3H3;1H",C13H18FNO.ClH,,,,,,ATEZXBBQNHHPNV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.660,255-745-6,42272-70-8,4-pentadecylidene-3-tetradecyloxetan-2-one,4-pentadecylidene-3-tetradecyloxetan-2-one,O=C1OC(=CCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCC,O=C1OC(=CCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCC,"InChI=1/C32H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30(32(33)34-31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3",C32H60O2,,,,,,BKSVJFGDPOUPBY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.663,255-748-2,42281-31-2,"3',4'-dihydro-7'-methoxyspiro[cyclopentane-1,2'(1'H)-naphthalene]-1'-one","7'-methoxy-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-naphthalen]-1'-one",COc1ccc2CCC3(CCCC3)C(=O)c2c1,COc1ccc2CCC3(CCCC3)C(=O)c2c1,"InChI=1/C15H18O2/c1-17-12-5-4-11-6-9-15(7-2-3-8-15)14(16)13(11)10-12/h4-5,10H,2-3,6-9H2,1H3",C15H18O2,,,,,,IJJBMVWHWLHEAF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.664,255-749-8,42281-59-4,Oxilorphan,"17-(cyclopropylmethyl)morphinan-3,14-diol",Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]5(CCCC[C@@]35O)c2c1,Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]5(CCCC[C@@]35O)c2c1,"InChI=1/C20H27NO2/c22-16-6-5-15-11-18-20(23)8-2-1-7-19(20,17(15)12-16)9-10-21(18)13-14-3-4-14/h5-6,12,14,18,22-23H,1-4,7-11,13H2",C20H27NO2,,,,,,STBZIDOIKQNFCQ-HSALFYBXSA-N,,,,,,,,,,,
100.048.511,253-379-1,37172-53-5,Methyl 2-hexyl-3-oxocyclopentanecarboxylate,methyl 2-hexyl-3-oxocyclopentanecarboxylate,CCCCCCC1C(CCC1=O)C(=O)OC,CCCCCCC1C(CCC1=O)C(=O)OC,"InChI=1/C13H22O3/c1-3-4-5-6-7-10-11(13(15)16-2)8-9-12(10)14/h10-11H,3-9H2,1-2H3",C13H22O3,,,,,,IPWBXORAIBJDDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.528,253-399-0,37211-05-5,Nickel chloride,nickel(2+) dichloride,[Cl-].[Cl-].[Ni+2],[Cl-].[Cl-].[Ni+2],InChI=1/2ClH.Ni/h2*1H;/q;;+2/p-2,-,,,,,,QMMRZOWCJAIUJA-UHFFFAOYSA-L,,,,,,,,,,,
100.048.537,253-409-3,37224-10-5,Tris(hydroxymethyl)octadecylurea,"1,1,3-tris(hydroxymethyl)-3-octadecylurea",CCCCCCCCCCCCCCCCCCN(CO)C(=O)N(CO)CO,CCCCCCCCCCCCCCCCCCN(CO)C(=O)N(CO)CO,"InChI=1/C22H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-25)22(28)24(20-26)21-27/h25-27H,2-21H2,1H3",C22H46N2O4,,,,,,WYFIXSDBJXLLNW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.540,253-413-5,37228-07-2,"Boric acid, strontium salt",strontium hydrogen borate,[Sr+2].OB([O-])[O-],[Sr+2].OB([O-])[O-],InChI=1/BHO3.Sr/c2-1(3)4;/h2H;/q-2;+2,-,,,,,,LIABRDFQHXJTBF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.549,256-723-9,50700-72-6,Vecuronium bromide,"3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-piperidin-1-ylandrostane bromide",[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC(C4OC(=O)C)[N+]5(C)CCCCC5)[C@@]2(C)CC1N6CCCCC6,[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC(C4OC(=O)C)[N+]5(C)CCCCC5)[C@@]2(C)CC1N6CCCCC6,"InChI=1/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1",C34H57N2O4.Br,,,,,,VEPSYABRBFXYIB-QUFKEEBRSA-M,,,,,,,,,,,
100.051.552,256-727-0,50705-16-3,"3,3-dimethylbicyclo[2.2.1]heptane-2-carbaldehyde","3,3-dimethylbicyclo[2.2.1]heptane-2-carbaldehyde",CC1(C)C2CCC(C2)C1C=O,CC1(C)C2CCC(C2)C1C=O,"InChI=1/C10H16O/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-9H,3-5H2,1-2H3",C10H16O,,,,,,VMKZLKWCFOWLCT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.553,256-728-6,50709-33-6,2-bromophenylhydrazine hydrochloride,(2-bromophenyl)hydrazine hydrochloride,Cl.NNc1ccccc1Br,Cl.NNc1ccccc1Br,"InChI=1/C6H7BrN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H",C6H7BrN2.ClH,,,,,,PHCYUJRYSFMJMG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.556,256-731-2,50712-63-5,2-(4-nitrophenyl)propiononitrile,2-(4-nitrophenyl)propanenitrile,CC(C#N)c1ccc(cc1)[N+](=O)[O-],CC(C#N)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H8N2O2/c1-7(6-10)8-2-4-9(5-3-8)11(12)13/h2-5,7H,1H3",C9H8N2O2,,,,,,QCPKTMACPAKCKW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.563,256-739-6,50727-78-1,Tridecyl mercaptoacetate,tridecyl sulfanylacetate,CCCCCCCCCCCCCOC(=O)CS,CCCCCCCCCCCCCOC(=O)CS,"InChI=1/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-15(16)14-18/h18H,2-14H2,1H3",C15H30O2S,,,,,,BANFORNDDZWGFX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.565,256-741-7,50729-70-9,"4,6-bis(allyloxy)-2-methoxy-1,3,5-triazine","2,4-bis(allyloxy)-6-methoxy-1,3,5-triazine",COc1nc(OCC=C)nc(OCC=C)n1,COc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C10H13N3O3/c1-4-6-15-9-11-8(14-3)12-10(13-9)16-7-5-2/h4-5H,1-2,6-7H2,3H3",C10H13N3O3,,,,,,IBAZGKICHYDASM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.569,256-745-9,50733-94-3,1-propylpiperazine dihydrochloride,1-propylpiperazine dihydrochloride,Cl.Cl.CCCN1CCNCC1,Cl.Cl.CCCN1CCNCC1,"InChI=1/C7H16N2.2ClH/c1-2-5-9-6-3-8-4-7-9;;/h8H,2-7H2,1H3;2*1H",C7H16N2.2ClH,,,,,,VVYGUYHMOZVCRM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.577,256-754-8,50771-78-3,"N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-2-chloro-4,4-dimethyl-3-oxovaleramide","N-[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-2-chloro-4,4-dimethyl-3-oxopentanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Cl)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Cl)C(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC,"InChI=1/C33H46Cl2N2O4/c1-10-32(6,7)21-14-17-26(23(19-21)33(8,9)11-2)41-18-12-13-27(38)36-22-15-16-24(34)25(20-22)37-30(40)28(35)29(39)31(3,4)5/h14-17,19-20,28H,10-13,18H2,1-9H3,(H,36,38)(H,37,40)",C33H46Cl2N2O4,,,,,,PGTKBBBKIKZMMD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.582,256-760-0,50786-80-6,1-[3-[(trifluoromethyl)thio]phenyl]piperazine,1-{3-[(trifluoromethyl)sulfanyl]phenyl}piperazine,FC(F)(F)Sc1cccc(c1)N2CCNCC2,FC(F)(F)Sc1cccc(c1)N2CCNCC2,"InChI=1/C11H13F3N2S/c12-11(13,14)17-10-3-1-2-9(8-10)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2",C11H13F3N2S,,,,,,XXLTUFBJFUFWJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.214,256-354-3,48077-86-7,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl methacrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H7F21O2/c1-4(2)5(37)38-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h1,3H2,2H3",C15H7F21O2,,,,,,QDIWIWGKFGVURE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.218,256-359-0,48141-64-6,"[R-(R*,S*)]-a-[1-(ethylmethylamino)ethyl]benzyl alcohol",2-[ethyl(methyl)amino]-1-phenylpropan-1-ol,CCN(C)C(C)C(O)c1ccccc1,CCN(C)C(C)C(O)c1ccccc1,"InChI=1/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3",C12H19NO,,,,,,IRVLBORJKFZWMI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.219,256-360-6,48145-04-6,2-phenoxyethyl acrylate,2-phenoxyethyl acrylate,C=CC(=O)OCCOc1ccccc1,C=CC(=O)OCCOc1ccccc1,"InChI=1/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2",C11H12O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5368,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.219,RZVINYQDSSQUKO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.224,256-365-3,49546-71-6,5-[(4-methoxyphenyl)methylene]barbituric acid,"5-(4-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione",O=C2NC(=O)NC(=O)\\C2=C/c1ccc(OC)cc1,O=C2NC(=O)NC(=O)\C2=C/c1ccc(OC)cc1,"InChI=1/C12H10N2O4/c1-18-8-4-2-7(3-5-8)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)",C12H10N2O4,,,,,,IWKTUKNFSHWMNP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.233,256-375-8,49562-27-8,Docosanonitrile,docosanenitrile,CCCCCCCCCCCCCCCCCCCCCC#N,CCCCCCCCCCCCCCCCCCCCCC#N,"InChI=1/C22H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-21H2,1H3",C22H43N,,,,,,HFTGJMVZTJBYLN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.242,256-385-2,49575-10-2,1-(2-aminoethyl)-2-methyl-5-nitroimidazole dihydrochloride,2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanamine dihydrochloride,Cl.Cl.Cc1ncc([N+](=O)[O-])n1CCN,Cl.Cl.Cc1ncc([N+](=O)[O-])n1CCN,"InChI=1/C6H10N4O2.2ClH/c1-5-8-4-6(10(11)12)9(5)3-2-7;;/h4H,2-3,7H2,1H3;2*1H",C6H10N4O2.2ClH,,,,,,AZYQXHDJVHNBRE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.258,278-406-4,76260-42-9,"4-(2-methylbutyl)phenyl 4'-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate",4-(2-methylbutyl)phenyl 4'-(2-methylbutyl)biphenyl-4-carboxylate,CCC(C)Cc1ccc(OC(=O)c2ccc(cc2)c3ccc(CC(C)CC)cc3)cc1,CCC(C)Cc1ccc(OC(=O)c2ccc(cc2)c3ccc(CC(C)CC)cc3)cc1,"InChI=1/C29H34O2/c1-5-21(3)19-23-7-11-25(12-8-23)26-13-15-27(16-14-26)29(30)31-28-17-9-24(10-18-28)20-22(4)6-2/h7-18,21-22H,5-6,19-20H2,1-4H3",C29H34O2,,,,,,RHUXKIANICSJAI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.269,278-419-5,76311-91-6,3-bromo-5-octylfuran-2(5H)-one,3-bromo-5-octylfuran-2(5H)-one,CCCCCCCCC1OC(=O)C(=C1)Br,CCCCCCCCC1OC(=O)C(=C1)Br,"InChI=1/C12H19BrO2/c1-2-3-4-5-6-7-8-10-9-11(13)12(14)15-10/h9-10H,2-8H2,1H3",C12H19BrO2,,,,,,ZGQBZXNKGVFUJD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.275,278-425-8,76350-35-1,"Potassium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide","potassium 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide",[K+].CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)[O-],[K+].CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)[O-],"InChI=1/C8H11NO5S.K/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1",C8H11NO5S.K,,,,,,GUTWDTLMHVVPEX-IBTYICNHSA-M,,,,,,,,,,,
100.071.279,278-430-5,76371-04-5,N-[2-[(2-aminoethyl)amino]ethyl]myristamide,N-{2-[(2-aminoethyl)amino]ethyl}tetradecanamide,CCCCCCCCCCCCCC(=O)NCCNCCN,CCCCCCCCCCCCCC(=O)NCCNCCN,"InChI=1/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)21-17-16-20-15-14-19/h20H,2-17,19H2,1H3,(H,21,22)",C18H39N3O,,,,,,VEARCFDPCWJRGD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.282,278-433-1,76386-13-5,Tetradec-1-enylsuccinic acid,tetradec-1-en-1-ylsuccinic acid,OC(=O)C(C=CCCCCCCCC)(C=CCCCCCCCC)C(C=CCCCCCCCC)(C=CCCCCCCCC)C(O)=O,OC(=O)C(C=CCCCCCCCC)(C=CCCCCCCCC)C(C=CCCCCCCCC)(C=CCCCCCCCC)C(O)=O,"InChI=1/C44H78O4/c1-5-9-13-17-21-25-29-33-37-43(41(45)46,38-34-30-26-22-18-14-10-6-2)44(42(47)48,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h33-40H,5-32H2,1-4H3,(H,45,46)(H,47,48)",C18H32O4,,,,,,YTGZPTLXOCEJMG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.284,278-435-2,76397-87-0,"3,4-dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol","3-(4-methoxyphenyl)chromane-6,7-diol",COc1ccc(cc1)C2COc3cc(O)c(O)cc3C2,COc1ccc(cc1)C2COc3cc(O)c(O)cc3C2,"InChI=1/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3",C16H16O4,,,,,,HEMAEFVLALEJDS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.471,278-641-2,77208-07-2,"2,2-dimethyl-1,3-propanediyl bis(mercaptoacetate)","2,2-dimethylpropane-1,3-diyl bis(sulfanylacetate)",CC(C)(COC(=O)CS)COC(=O)CS,CC(C)(COC(=O)CS)COC(=O)CS,"InChI=1/C9H16O4S2/c1-9(2,5-12-7(10)3-14)6-13-8(11)4-15/h14-15H,3-6H2,1-2H3",C9H16O4S2,,,,,,OSYHEIYTVIDDPX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.472,278-642-8,77223-49-5,"2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(mercaptoacetate)","2,2,4-trimethylpentane-1,3-diyl bis(sulfanylacetate)",CC(C)C(OC(=O)CS)C(C)(C)COC(=O)CS,CC(C)C(OC(=O)CS)C(C)(C)COC(=O)CS,"InChI=1/C12H22O4S2/c1-8(2)11(16-10(14)6-18)12(3,4)7-15-9(13)5-17/h8,11,17-18H,5-7H2,1-4H3",C12H22O4S2,,,,,,JYUDRJYWUHFMEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.473,278-643-3,77234-90-3,a-[4-(phenethyl)phenyl]-1H-imidazol-1-ethanol monohydrochloride,2-(1H-imidazol-1-yl)-1-[4-(2-phenylethyl)phenyl]ethanol hydrochloride,Cl.OC(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,Cl.OC(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,"InChI=1/C19H20N2O.ClH/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16;/h1-5,8-13,15,19,22H,6-7,14H2;1H",C19H20N2O.ClH,,,,,,RBDNRYIXZOBPMV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.474,278-644-9,77237-89-9,N-decylacrylamide,N-decylacrylamide,CCCCCCCCCCNC(=O)C=C,CCCCCCCCCCNC(=O)C=C,"InChI=1/C13H25NO/c1-3-5-6-7-8-9-10-11-12-14-13(15)4-2/h4H,2-3,5-12H2,1H3,(H,14,15)",C13H25NO,,,,,,AWDYCSUWSUENQK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.475,278-645-4,77242-30-9,2-amino-5-nitrobenzyl alcohol,(2-amino-5-nitrophenyl)methanol,Nc1ccc(cc1CO)[N+](=O)[O-],Nc1ccc(cc1CO)[N+](=O)[O-],"InChI=1/C7H8N2O3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4,8H2",C7H8N2O3,,,,,,XEALBFKUNCXFTO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.485,278-656-4,77284-30-1,"tert-butyl aminoacetate, compound with N-(phenylsulphonyl)benzenesulphonamide (1:1)",tert-butyl glycinate - N-(phenylsulfonyl)benzenesulfonamide (1:1),CC(C)(C)OC(=O)CN.O=S(=O)(NS(=O)(=O)c1ccccc1)c2ccccc2,CC(C)(C)OC(=O)CN.O=S(=O)(NS(=O)(=O)c1ccccc1)c2ccccc2,"InChI=1/C12H11NO4S2.C6H13NO2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12;1-6(2,3)9-5(8)4-7/h1-10,13H;4,7H2,1-3H3",C12H11NO4S2.C6H13NO2,,,,,,WIPAHPZWEOFTRC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.486,278-658-5,77287-29-7,Methyl (R)-2-chloropropionate,methyl 2-chloropropanoate,COC(=O)[C@@H](C)Cl,COC(=O)[C@@H](C)Cl,"InChI=1/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3",C4H7ClO2,,,,,,JLEJCNOTNLZCHQ-GSVOUGTGSA-N,,,,,,,,,,,
100.071.491,278-663-2,77337-71-4,Potassium 3-(acetylamino)propanesulphonate,potassium 3-acetamidopropane-1-sulfonate,[K+].CC(=O)NCCCS(=O)(=O)[O-],[K+].CC(=O)NCCCS(=O)(=O)[O-],"InChI=1/C5H11NO4S.K/c1-5(7)6-3-2-4-11(8,9)10;/h2-4H2,1H3,(H,6,7)(H,8,9,10);/q;+1/p-1",C5H11NO4S.K,,,,,,WDIYOOMJRKTFKB-UHFFFAOYSA-M,,,,,,,,,,,
100.048.134,252-963-3,36309-01-0,Dimemorfan,"3,17-dimethylmorphinan",CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(C)cc34,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(C)cc34,"InChI=1/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3",C18H25N,,,,,,KBEZZLAAKIIPFK-NJAFHUGGSA-N,,,,,,,,,,,
100.048.137,252-967-5,36314-37-1,Na-(L-a-glutamyl)-L-ß-asparagine,alpha-glutamylasparagine,NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)O,NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)O,"InChI=1/C9H15N3O6/c10-4(1-2-7(14)15)8(16)12-5(9(17)18)3-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)",C9H15N3O6,,,,,,TUTIHHSZKFBMHM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.139,252-969-6,36315-01-2,"4,6-dimethoxypyrimidin-2-amine","4,6-dimethoxypyrimidin-2-amine",COc1cc(OC)nc(N)n1,COc1cc(OC)nc(N)n1,"InChI=1/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)",C6H9N3O2,,,,,,LVFRCHIUUKWBLR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.142,252-972-2,36318-77-1,[1-(dichloromethyl)-1-methylpropyl]benzene,[1-(dichloromethyl)-1-methylpropyl]benzene,CCC(C)(C(Cl)Cl)c1ccccc1,CCC(C)(C(Cl)Cl)c1ccccc1,"InChI=1/C11H14Cl2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3",C11H14Cl2,,,,,,HZWWIJSYUMVUTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.149,252-980-6,36333-79-6,Tetrakis(bicyclo[2.2.1]hept-1-yl)manganese,tetrabicyclo[2.2.1]hept-1-ylmanganese,C1CC2(CCC1C2)[Mn](C34CCC(CC3)C4)(C56CCC(CC5)C6)C78CCC(CC7)C8,C1CC2(CCC1C2)[Mn](C34CCC(CC3)C4)(C56CCC(CC5)C6)C78CCC(CC7)C8,"InChI=1/4C7H11.Mn/c4*1-2-7-4-3-6(1)5-7;/h4*6H,1-5H2;/rC28H44Mn/c1-9-25(10-2-21(1)17-25)29(26-11-3-22(18-26)4-12-26,27-13-5-23(19-27)6-14-27)28-15-7-24(20-28)8-16-28/h21-24H,1-20H2",C28H44Mn,,,,,,MCBDORAJAVQIKS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.155,252-986-9,36342-07-1,4-oxo-4-(propylamino)isocrotonic acid,4-oxo-4-(propylamino)but-2-enoic acid,CCCNC(=O)\\C=C/C(=O)O,CCCNC(=O)\C=C/C(=O)O,"InChI=1/C7H11NO3/c1-2-5-8-6(9)3-4-7(10)11/h3-4H,2,5H2,1H3,(H,8,9)(H,10,11)",C7H11NO3,,,,,,KDUIBZJVAXYHPY-ARJAWSKDSA-N,,,,,,,,,,,
100.048.174,253-008-3,36388-36-0,"Bis[[1,4a-dimethyl-7-(1-methylethyl)tetradecahydrophenanthryl]methyl] phthalate",abietan-18-yl abietan-19-yl phthalate,CC(C)C1CCC2C(CCC3C(C)(COC(=O)c4ccccc4C(=O)OCC5(C)CCCC6(C)C7CCC(CC7CCC56)C(C)C)CCCC23C)C1,CC(C)C1CCC2C(CCC3C(C)(COC(=O)c4ccccc4C(=O)OCC5(C)CCCC6(C)C7CCC(CC7CCC56)C(C)C)CCCC23C)C1,"InChI=1/C48H74O4/c1-31(2)33-15-19-39-35(27-33)17-21-41-45(5,23-11-25-47(39,41)7)29-51-43(49)37-13-9-10-14-38(37)44(50)52-30-46(6)24-12-26-48(8)40-20-16-34(32(3)4)28-36(40)18-22-42(46)48/h9-10,13-14,31-36,39-42H,11-12,15-30H2,1-8H3",C48H74O4,,,,,,VLSXLXWSXZUGFV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.860,252-662-7,35661-60-0,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-leucine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-leucine,CC(C)C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CC(C)C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)",C21H23NO4,,,,,,CBPJQFCAFFNICX-IBGZPJMESA-N,,,,,,,,,,,
100.047.867,252-670-0,35675-46-8,3-methyl-4-nitrobenzoyl chloride,3-methyl-4-nitrobenzoyl chloride,Cc1cc(ccc1[N+](=O)[O-])C(=O)Cl,Cc1cc(ccc1[N+](=O)[O-])C(=O)Cl,"InChI=1/C8H6ClNO3/c1-5-4-6(8(9)11)2-3-7(5)10(12)13/h2-4H,1H3",C8H6ClNO3,,,,,,DUEGOHNPUBPUIV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.870,252-673-7,35677-29-3,(±)-2-cyano-2-phenylbutyric acid,2-cyano-2-phenylbutanoic acid,CCC(C#N)(C(=O)O)c1ccccc1,CCC(C#N)(C(=O)O)c1ccccc1,"InChI=1/C11H11NO2/c1-2-11(8-12,10(13)14)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H,13,14)",C11H11NO2,,,,,,YJYUGDDGQDEDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.537,256-710-8,50679-08-8,Terfenadine,1-(4-tert-butylphenyl)-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol,CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4,CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4,"InChI=1/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3",C32H41NO2,,,,,,GUGOEEXESWIERI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.547,256-721-8,50698-54-9,Tetracosyl acrylate,tetracosyl acrylate,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C27H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27(28)4-2/h4H,2-3,5-26H2,1H3",C27H52O2,,,,,,NWCXWRNETRHMRW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.550,256-724-4,50702-51-7,(3-fluorophenyl)hydrazine hydrochloride,(3-fluorophenyl)hydrazine hydrochloride,Cl.NNc1cccc(F)c1,Cl.NNc1cccc(F)c1,"InChI=1/C6H7FN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H",C6H7FN2.xClH,,,,,,SKVGLOFWEJFQKU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.555,256-730-7,50709-36-9,"(2,6-dichlorophenyl)hydrazine monohydrochloride","(2,6-dichlorophenyl)hydrazine hydrochloride",Cl.NNc1c(Cl)cccc1Cl,Cl.NNc1c(Cl)cccc1Cl,"InChI=1/C6H6Cl2N2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H",C6H6Cl2N2.ClH,,,,,,CQNIYLLTIOPFCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.561,256-737-5,50725-10-5,1-[bis(benzyloxy)phosphinoyl]-2-methylisothiourea,methyl N-[bis(benzyloxy)phosphoryl]imidothiocarbamate,CSC(=N)NP(=O)(OCc1ccccc1)OCc2ccccc2,CSC(=N)NP(=O)(OCc1ccccc1)OCc2ccccc2,"InChI=1/C16H19N2O3PS/c1-23-16(17)18-22(19,20-12-14-8-4-2-5-9-14)21-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,17,18,19)",C16H19N2O3PS,,,,,,JZELUQXMIHNIRU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.878,257-084-9,51248-73-8,2-methoxyethyl N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-ß-alaninate,2-methoxyethyl N-{3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}-N-(2-cyanoethyl)-beta-alaninate,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC(=O)OCCOC)CCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC(=O)OCCOC)CCC#N)[N+]([O-])=O,"InChI=1/C23H25ClN6O6/c1-16(31)26-22-15-17(29(10-3-9-25)11-8-23(32)36-13-12-35-2)4-7-21(22)28-27-20-6-5-18(30(33)34)14-19(20)24/h4-7,14-15H,3,8,10-13H2,1-2H3,(H,26,31)",C23H25ClN6O6,,,,,,KKDFDCUNVXQWKF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.880,257-087-5,51249-07-1,"1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-5-[(2-nitrophenyl)azo]-2-oxonicotinonitrile","1-(2-ethylhexyl)-6-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile",[O-][N+](=O)c2ccccc2N=N/C1=C(\\O)N(CC(CCCC)CC)C(=O)C(/C#N)=C1/C,[O-][N+](=O)c2ccccc2N=N/C1=C(\O)N(CC(CCCC)CC)C(=O)C(/C#N)=C1/C,"InChI=1/C21H25N5O4/c1-4-6-9-15(5-2)13-25-20(27)16(12-22)14(3)19(21(25)28)24-23-17-10-7-8-11-18(17)26(29)30/h7-8,10-11,15,28H,4-6,9,13H2,1-3H3",C21H25N5O4,,,,,,JPHFTJOCDPFXGY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.884,257-091-7,51254-17-2,2-[[2-(diethylamino)ethyl]amino]ethanol,2-{[2-(diethylamino)ethyl]amino}ethanol,CCN(CC)CCNCCO,CCN(CC)CCNCCO,"InChI=1/C8H20N2O/c1-3-10(4-2)7-5-9-6-8-11/h9,11H,3-8H2,1-2H3",C8H20N2O,,,,,,CPVZVEFIBNWXMH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.887,257-094-3,51264-14-3,Amsacrine,N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24,"InChI=1/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)",C21H19N3O3S,,,,,,XCPGHVQEEXUHNC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.894,257-103-0,51277-02-2,Ethylbis(hydroxyethyl)(octadecyl)ammonium ethyl sulphate,"N-ethyl-N,N-bis(1-hydroxyethyl)octadecan-1-aminium ethyl sulfate",CCCCCCCCCCCCCCCCCC[N+](CC)(C(C)O)C(C)O.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](CC)(C(C)O)C(C)O.CCOS(=O)(=O)[O-],"InChI=1/C24H52NO2.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(6-2,23(3)26)24(4)27;1-2-6-7(3,4)5/h23-24,26-27H,5-22H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C24H52NO2.C2H5O4S,,,,,,WHMQSTCWJQZGEY-UHFFFAOYSA-M,,,,,,,,,,,
100.051.897,257-106-7,51281-64-2,"1-(benzyl)-1,2,3,6-tetrahydroisonicotinonitrile","1-benzyl-1,2,3,6-tetrahydropyridine-4-carbonitrile",N#CC1=CCN(Cc2ccccc2)CC1,N#CC1=CCN(Cc2ccccc2)CC1,"InChI=1/C13H14N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-6H,7-9,11H2",C13H14N2,,,,,,WXEFCWCPTMOIAH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.900,257-109-3,51286-98-7,"3-(2,4,6-tribromophenoxy)propane-1,2-diol","3-(2,4,6-tribromophenoxy)propane-1,2-diol",OCC(O)COc1c(Br)cc(Br)cc1Br,OCC(O)COc1c(Br)cc(Br)cc1Br,"InChI=1/C9H9Br3O3/c10-5-1-7(11)9(8(12)2-5)15-4-6(14)3-13/h1-2,6,13-14H,3-4H2",C9H9Br3O3,,,,,,DQGNLNFUQUMVEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.901,257-110-9,51287-83-3,"Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate","dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosan-1-oate",CCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCC,"InChI=1/2C15H30O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;2*1-3-4-2;/h2*18H,2-14H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC38H76O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-31-41-37(39)29-33-43-45(35-11-7-3,36-12-8-4)44-34-30-38(40)42-32-28-26-24-22-20-18-16-14-10-6-2/h5-36H2,1-4H3",C38H76O4S2Sn,,,,,,MBSPJZOQJLVPBT-UHFFFAOYSA-L,,,,,,,,,,,
100.051.914,257-125-0,51304-59-7,4-phenyl-4-propoxypiperidinium chloride,4-phenyl-4-propoxypiperidinium chloride,[Cl-].CCCOC1(CC[NH2+]CC1)c2ccccc2,[Cl-].CCCOC1(CC[NH2+]CC1)c2ccccc2,"InChI=1/C14H21NO.ClH/c1-2-12-16-14(8-10-15-11-9-14)13-6-4-3-5-7-13;/h3-7,15H,2,8-12H2,1H3;1H",C14H21NO.ClH,,,,,,DRXSPKAJKCBFKI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.915,257-126-6,51304-61-1,"4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride","4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride",[Cl-].Clc1ccc(cc1)C2=CC[NH2+]CC2,[Cl-].Clc1ccc(cc1)C2=CC[NH2+]CC2,"InChI=1/C11H12ClN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H",C11H12ClN.ClH,,,,,,NGDJUNABWNTULX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.916,257-127-1,51305-29-4,"N-octadecyl-4,6-bis(allyloxy)-1,3,5-triazin-2-amine","4,6-bis(allyloxy)-N-octadecyl-1,3,5-triazin-2-amine",CCCCCCCCCCCCCCCCCCNc1nc(OCC=C)nc(OCC=C)n1,CCCCCCCCCCCCCCCCCCNc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C27H48N4O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-25-29-26(32-23-5-2)31-27(30-25)33-24-6-3/h5-6H,2-4,7-24H2,1H3,(H,28,29,30,31)",C27H48N4O2,,,,,,ZRNQZNVHSWATQN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.917,257-128-7,51308-54-4,Butyl p-tert-butylbenzyl 3-pyridylimidodithiocarbonate,butyl 4-tert-butylbenzyl pyridin-3-yldithioimidocarbonate,CC(C)(C)c1ccc(cc1)CSC(SCCCC)=Nc2cccnc2,CC(C)(C)c1ccc(cc1)CSC(SCCCC)=Nc2cccnc2,"InChI=1/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3",C21H28N2S2,,,,,,ZZVVDIVWGXTDRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.247,256-391-5,49586-46-1,"[6R-(6a,7ß)]-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide",3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide,CC1=C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S(=O)C1)C(=O)O,CC1=C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S(=O)C1)C(=O)O,"InChI=1/C16H16N2O5S/c1-9-8-24(23)15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)",C16H16N2O5S,,,,,,PHIMLNXVWFHTLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.249,256-393-6,49594-30-1,3-mercaptopropanesulphonic acid,3-sulfanylpropane-1-sulfonic acid,OS(=O)(=O)CCCS,OS(=O)(=O)CCCS,"InChI=1/C3H8O3S2/c4-8(5,6)3-1-2-7/h7H,1-3H2,(H,4,5,6)",C3H8O3S2,,,,,,OBDVFOBWBHMJDG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.625,259-006-9,54164-90-8,"trans-4-hydroxy-a,a,4-trimethylcyclohex-2-ene-1-methanol",4-(1-hydroxy-1-methylethyl)-1-methylcyclohex-2-en-1-ol,CC(C)(O)[C@H]1CC[C@](C)(O)C=C1,CC(C)(O)[C@H]1CC[C@](C)(O)C=C1,"InChI=1/C10H18O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h4,6,8,11-12H,5,7H2,1-3H3",C10H18O2,,,,,,XWFVRMWMBYDDFY-PSASIEDQSA-N,,,,,,,,,,,
100.053.627,259-009-5,54167-06-5,"Bis(2,6-dimethylphenyl)acetonitrile","bis(2,6-dimethylphenyl)acetonitrile",Cc1cccc(C)c1C(C#N)c2c(C)cccc2C,Cc1cccc(C)c1C(C#N)c2c(C)cccc2C,"InChI=1/C18H19N/c1-12-7-5-8-13(2)17(12)16(11-19)18-14(3)9-6-10-15(18)4/h5-10,16H,1-4H3",C18H19N,,,,,,VELLWTFWQTXZAU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.180,253-015-1,36399-15-2,3-methylcyclopentadec-4-en-1-one,3-methylcyclopentadec-4-en-1-one,CC1CC(=O)CCCCCCCCCC\\C=C/1,CC1CC(=O)CCCCCCCCCC\C=C/1,"InChI=1/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h10,12,15H,2-9,11,13-14H2,1H3",C16H28O,,,,,,JRQWMYKJVZYCDE-BENRWUELSA-N,,,,,,,,,,,
100.048.182,253-017-2,36402-52-5,"(R*,R*)-pentane-2,4-diol","pentane-2,4-diol",CC(O)CC(C)O,CC(O)CC(C)O,"InChI=1/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3",C5H12O2,,,,,,GTCCGKPBSJZVRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.183,253-018-8,36405-17-1,4-[[(4-butoxybenzylidene]amino]benzonitrile,4-[(4-butoxybenzylidene)amino]benzonitrile,CCCCOc1ccc(C=Nc2ccc(cc2)C#N)cc1,CCCCOc1ccc(C=Nc2ccc(cc2)C#N)cc1,"InChI=1/C18H18N2O/c1-2-3-12-21-18-10-6-16(7-11-18)14-20-17-8-4-15(13-19)5-9-17/h4-11,14H,2-3,12H2,1H3",C18H18N2O,,,,,,JWLPZJPDDBBWQD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.186,253-021-4,36411-52-6,"2-hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide","2-hydroxy-N-4H-1,2,4-triazol-3-ylbenzamide",Oc1ccccc1C(=O)Nc2nnc[nH]2,Oc1ccccc1C(=O)Nc2nnc[nH]2,"InChI=1/C9H8N4O2/c14-7-4-2-1-3-6(7)8(15)12-9-10-5-11-13-9/h1-5,14H,(H2,10,11,12,13,15)",C9H8N4O2,,,,,,MZZYGYNZAOVRTG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.192,253-028-2,36422-95-4,3-methyl-4-(pyrrolidin-1-yl)benzenediazonium tetrafluoroborate,3-methyl-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate,Cc1cc(ccc1N2CCCC2)[N+]#N.F[B-](F)(F)F,Cc1cc(ccc1N2CCCC2)[N+]#N.F[B-](F)(F)F,"InChI=1/C11H14N3.BF4/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;2-1(3,4)5/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1",C11H14N3.BF4,,,,,,HNENJHZHKIYKTN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.207,253-045-5,36452-23-0,Hexahydro-1-(phenylthio)-2H-azepin-2-one,1-(phenylsulfanyl)azepan-2-one,O=C1CCCCCN1Sc2ccccc2,O=C1CCCCCN1Sc2ccccc2,"InChI=1/C12H15NOS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2",C12H15NOS,,,,,,HVIHQLGJOGGHSI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.214,253-052-3,36476-29-6,7-[[2-acetamido-2-deoxy-ß-D-galactopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2ccc3C(=CC(=O)Oc3c2)C,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2ccc3C(=CC(=O)Oc3c2)C,"InChI=1/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)",C18H21NO8,,,,,,QCTHLCFVVACBSA-SOVHRIKKSA-N,,,,,,,,,,,
100.048.216,253-054-4,36480-40-7,"3,4-dichlorotoluene-a-thiol","(3,4-dichlorophenyl)methanethiol",SCc1ccc(Cl)c(Cl)c1,SCc1ccc(Cl)c(Cl)c1,"InChI=1/C7H6Cl2S/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2",C7H6Cl2S,,,,,,CEGBRSQPRQXALB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.391,254-350-6,39201-89-3,"3,4,5-trimethoxybenzaldehyde oxime","3,4,5-trimethoxybenzaldehyde oxime",COc1cc(\\C=N\\O)cc(OC)c1OC,COc1cc(\C=N\O)cc(OC)c1OC,"InChI=1/C10H13NO4/c1-13-8-4-7(6-11-12)5-9(14-2)10(8)15-3/h4-6,12H,1-3H3",C10H13NO4,,,,,,QVZGKUBQTJBLKI-IZZDOVSWSA-N,,,,,,,,,,,
100.049.402,254-362-1,39220-69-4,1-bromo-4-(1-methylpropyl)benzene,1-bromo-4-sec-butylbenzene,CCC(C)c1ccc(Br)cc1,CCC(C)c1ccc(Br)cc1,"InChI=1/C10H13Br/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3",C10H13Br,,,,,,DGZQEAKNZXNTNL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.405,254-365-8,39225-17-7,Diethyl 4-chlorobenzylphosphonate,diethyl (4-chlorobenzyl)phosphonate,CCOP(=O)(Cc1ccc(Cl)cc1)OCC,CCOP(=O)(Cc1ccc(Cl)cc1)OCC,"InChI=1/C11H16ClO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3",C11H16ClO3P,,,,,,BVQPVBZRJSFOEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.407,254-367-9,39230-59-6,3-methylpentyl propionate,3-methylpentyl propionate,CCC(C)CCOC(=O)CC,CCC(C)CCOC(=O)CC,"InChI=1/C9H18O2/c1-4-8(3)6-7-11-9(10)5-2/h8H,4-7H2,1-3H3",C9H18O2,,,,,,HKUKJBARMQZAIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.493,278-665-3,77337-73-6,Calcium(2+) 3-(acetylamino)propanesulphonate,calcium bis(3-acetamidopropane-1-sulfonate),[Ca+2].CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-],[Ca+2].CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-],"InChI=1/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2",C5H11NO4S.1/2Ca,,,,,,BUVGWDNTAWHSKI-UHFFFAOYSA-L,,,,,,,,,,,
100.071.494,278-666-9,77337-74-7,Magnesium(2+) 3-(acetylamino)propanesulphonate,magnesium bis(3-acetamidopropane-1-sulfonate),[Mg+2].CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-],[Mg+2].CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-],"InChI=1/2C5H11NO4S.Mg/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2",C5H11NO4S.1/2Mg,,,,,,XTCZRTNTNCSDNP-UHFFFAOYSA-L,,,,,,,,,,,
100.073.128,280-464-0,83488-01-1,4-[[5-[(2-chloroethoxy)carbonyl]-o-tolyl]azo]-3-hydroxy-2-naphthoic acid,4-({5-[(2-chloroethoxy)carbonyl]-2-methylphenyl}diazenyl)-3-hydroxy-2-naphthoic acid,ClCCOC(=O)c3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(C)cc3,ClCCOC(=O)c3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(C)cc3,"InChI=1/C21H17ClN2O5/c1-12-6-7-14(21(28)29-9-8-22)11-17(12)23-24-18-15-5-3-2-4-13(15)10-16(19(18)25)20(26)27/h2-7,10-11,25H,8-9H2,1H3,(H,26,27)",C21H17ClN2O5,,,,,,CQUZBRWOZHEVIF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.131,280-467-7,83498-24-2,ß-methyl-a-methylenephenylbutyraldehyde,3-methyl-2-methylene-3-phenylbutanal,CC(C)(C(=C)C=O)c1ccccc1,CC(C)(C(=C)C=O)c1ccccc1,"InChI=1/C12H14O/c1-10(9-13)12(2,3)11-7-5-4-6-8-11/h4-9H,1H2,2-3H3",C12H14O,,,,,,CVSNPQYKVMHXNP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.352,280-710-7,83763-26-2,Ethyl N-formyl-3-oxo-N-(1-phenylethyl)-alaninate,ethyl N-formyl-3-oxo-N-(1-phenylethyl)alaninate,CCOC(=O)C(C=O)N(C=O)C(C)c1ccccc1,CCOC(=O)C(C=O)N(C=O)C(C)c1ccccc1,"InChI=1/C14H17NO4/c1-3-19-14(18)13(9-16)15(10-17)11(2)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3",C14H17NO4,,,,,,KYSCKCJIGHCXMO-UHFFFAOYSA-N,,,,,,,,,,,
100.073.361,280-720-1,83763-35-3,"3-amino-4-hydroxy-N,N-dimethylbenzenesulphonamide monohydrochloride","3-amino-4-hydroxy-N,N-dimethylbenzenesulfonamide hydrochloride",Cl.CN(C)S(=O)(=O)c1ccc(O)c(N)c1,Cl.CN(C)S(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C8H12N2O3S.ClH/c1-10(2)14(12,13)6-3-4-8(11)7(9)5-6;/h3-5,11H,9H2,1-2H3;1H",C8H12N2O3S.ClH,,,,,,VFCMSRKNRBRJGK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.364,280-723-8,83763-38-6,Sodium hydrogen 5-sulphonatoanthranilate,sodium hydrogen 2-amino-5-sulfonatobenzoate,[Na+].Nc1ccc(cc1C(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc(cc1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C7H7NO5S.Na/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3H,8H2,(H,9,10)(H,11,12,13);/q;+1/p-2",C7H7NO5S.Na,,,,,,XBAWILQMDROESK-UHFFFAOYSA-L,,,,,,,,,,,
100.073.373,280-733-2,83763-47-7,2-[(3-amino-4-methoxyphenyl)amino]ethanol,2-[(3-amino-4-methoxyphenyl)amino]ethanol,COc1ccc(NCCO)cc1N,COc1ccc(NCCO)cc1N,"InChI=1/C9H14N2O2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3",C9H14N2O2,,,,,,SBUMIGFDXJIPLE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.002,282-528-3,84254-83-1,3-methylpentyl butyrate,3-methylpentyl butyrate,CCCC(=O)OCCC(C)CC,CCCC(=O)OCCC(C)CC,"InChI=1/C10H20O2/c1-4-6-10(11)12-8-7-9(3)5-2/h9H,4-8H2,1-3H3",C10H20O2,,,,,,GZWUADMYQBNKGP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.004,282-530-4,84254-85-3,Benzyl[11-[benzyl(2-hydroxyphenethyl)amino]undecyl](2-hydroxyethyl)phenacylammonium chloride,N-benzyl-11-{benzyl[2-(2-hydroxyphenyl)ethyl]amino}-N-(2-hydroxyethyl)-N-(2-oxo-2-phenylethyl)undecan-1-aminium chloride,[Cl-].OCC[N+](CCCCCCCCCCCN(CCc1ccccc1O)Cc2ccccc2)(CC(=O)c3ccccc3)Cc4ccccc4,[Cl-].OCC[N+](CCCCCCCCCCCN(CCc1ccccc1O)Cc2ccccc2)(CC(=O)c3ccccc3)Cc4ccccc4,"InChI=1/C43H56N2O3.ClH/c46-34-33-45(36-39-23-13-9-14-24-39,37-43(48)40-25-15-10-16-26-40)32-20-7-5-3-1-2-4-6-19-30-44(35-38-21-11-8-12-22-38)31-29-41-27-17-18-28-42(41)47;/h8-18,21-28,46H,1-7,19-20,29-37H2;1H",C43H59N2O3.Cl,,,,,,KTCMDOCMQBZFOH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.009,282-536-7,84254-90-0,"3-ethyl-2-[(3-ethyl-4,5-diphenylthiazol-2(3H)-ylidene)methyl]-5-[2-(3-ethyl-6,7,8,9-tetrahydronaphtho[2,1-d]thiazol-2(3H)-ylidene)-1-(2-thienyl)ethylidene]-4,5-dihydro-4-oxothiazolium iodide","3-ethyl-2-[(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)methyl]-5-[2-(3-ethyl-6,7,8,9-tetrahydronaphtho[2,1-d][1,3]thiazol-2(3H)-ylidene)-1-(2-thienyl)ethylidene]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].CCN7C(\\c1ccccc1)=C(/SC7=CC=2SC(C(=O)[N+]=2CC)=C(C=C4Sc3c5CCCCc5ccc3N4CC)c6cccs6)c8ccccc8,[I-].CCN7C(\c1ccccc1)=C(/SC7=CC=2SC(C(=O)[N+]=2CC)=C(C=C4Sc3c5CCCCc5ccc3N4CC)c6cccs6)c8ccccc8,"InChI=1/C42H40N3OS4.HI/c1-4-43-33-24-23-28-16-13-14-21-31(28)40(33)49-35(43)26-32(34-22-15-25-47-34)41-42(46)45(6-3)37(50-41)27-36-44(5-2)38(29-17-9-7-10-18-29)39(48-36)30-19-11-8-12-20-30;/h7-12,15,17-20,22-27H,4-6,13-14,16,21H2,1-3H3;1H/q+1;/p-1",C42H40N3OS4.I,,,,,,TULZTHZHXHDLAG-UHFFFAOYSA-M,,,,,,,,,,,
100.075.017,282-545-6,84254-98-8,4-(p-chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid,4-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylic acid,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C(=O)O)c3ccc(Cl)cc3,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C(=O)O)c3ccc(Cl)cc3,"InChI=1/C19H20ClNO4S/c1-14-2-8-17(9-3-14)26(24,25)21-12-10-19(11-13-21,18(22)23)15-4-6-16(20)7-5-15/h2-9H,10-13H2,1H3,(H,22,23)",C19H20ClNO4S,,,,,,HCBWXTUQOKBKOO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.305,278-458-8,76418-49-0,"N,N'-bis[(6-methyl-2-pyridyl)methylene]ethylenediamine","N,N'-bis[(6-methylpyridin-2-yl)methylene]ethane-1,2-diamine",Cc1cccc(n1)C=NCCN=Cc2cccc(C)n2,Cc1cccc(n1)C=NCCN=Cc2cccc(C)n2,"InChI=1/C16H18N4/c1-13-5-3-7-15(19-13)11-17-9-10-18-12-16-8-4-6-14(2)20-16/h3-8,11-12H,9-10H2,1-2H3",C16H18N4,,,,,,NCCJTKNIPMUERV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.314,278-468-2,76444-94-5,"4,5-dihydro-3-hydroxy-4-methyl-1-(p-tolyl)pyrazole-4-methanol","4-(hydroxymethyl)-4-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-ol",Cc1ccc(cc1)N2CC(C)(CO)C(=N2)O,Cc1ccc(cc1)N2CC(C)(CO)C(=N2)O,"InChI=1/C12H16N2O2/c1-9-3-5-10(6-4-9)14-7-12(2,8-15)11(16)13-14/h3-6,15H,7-8H2,1-2H3,(H,13,16)",C12H16N2O2,,,,,,UWOZQBARAREECT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.320,278-475-0,76471-94-8,[(4-fluorophenyl)amino]acetonitrile,[(4-fluorophenyl)amino]acetonitrile,Fc1ccc(NCC#N)cc1,Fc1ccc(NCC#N)cc1,"InChI=1/C8H7FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,6H2",C8H7FN2,,,,,,UAYKXKKZGRYBAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.321,278-476-6,76475-75-7,3-(diethylamino)-4'-fluoropropiophenone hydrochloride,3-(diethylamino)-1-(4-fluorophenyl)propan-1-one hydrochloride,Cl.CCN(CC)CCC(=O)c1ccc(F)cc1,Cl.CCN(CC)CCC(=O)c1ccc(F)cc1,"InChI=1/C13H18FNO.ClH/c1-3-15(4-2)10-9-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10H2,1-2H3;1H",C13H18FNO.ClH,,,,,,AKNWAXJGJZVLIU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.322,278-477-1,76483-21-1,"Phosphoric acid, 1-methylethyl ester",isopropyl dihydrogen phosphate,CC(C)OP(=O)(O)O,CC(C)OP(=O)(O)O,"InChI=1/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)",-,,,,,,QPPQHRDVPBTVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.143,280-480-8,83554-37-4,Dimethyl(octadecyl)[3-(stearoylamino)propyl]ammonium toluene-p-sulphonate,"N,N-dimethyl-N-[3-(stearoylamino)propyl]octadecan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C41H84N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43(3,4)40-36-38-42-41(44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-40H2,1-4H3;2-5H,1H3,(H,8,9,10)",C41H85N2O.C7H7O3S,,,,,,SHZVCMDZRTWPGH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.149,280-487-6,83567-02-6,"2-hydroxy-4,4,6,6-tetramethyl-3-nitrocyclohex-2-en-1-one","2-hydroxy-4,4,6,6-tetramethyl-3-nitrocyclohex-2-en-1-one",CC1(C)CC(C)(C)C(=C(O)C1=O)[N+](=O)[O-],CC1(C)CC(C)(C)C(=C(O)C1=O)[N+](=O)[O-],"InChI=1/C10H15NO4/c1-9(2)5-10(3,4)8(13)6(12)7(9)11(14)15/h12H,5H2,1-4H3",C10H15NO4,,,,,,XUKDJCXTIFFHIE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.150,280-488-1,83567-03-7,"3-amino-2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one","3-amino-2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one",CC1(C)CC(C)(C)C(=O)C(=C1N)O,CC1(C)CC(C)(C)C(=O)C(=C1N)O,"InChI=1/C10H17NO2/c1-9(2)5-10(3,4)8(13)6(12)7(9)11/h12H,5,11H2,1-4H3",C10H17NO2,,,,,,WHHQOGAQSBAJTG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.156,280-494-4,83575-44-4,1-(benzyloxycarbonyl)-L-prolyl-N5-carbamoyl-N-(4-nitrophenyl)-L-ornithinamide,1-[(benzyloxy)carbonyl]-L-prolyl-N~5~-carbamoyl-N-(4-nitrophenyl)-L-ornithinamide,NC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2)C(=O)Nc3ccc(cc3)[N+](=O)[O-],NC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2)C(=O)Nc3ccc(cc3)[N+](=O)[O-],"InChI=1/C25H30N6O7/c26-24(34)27-14-4-8-20(22(32)28-18-10-12-19(13-11-18)31(36)37)29-23(33)21-9-5-15-30(21)25(35)38-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2,(H,28,32)(H,29,33)(H3,26,27,34)",C25H30N6O7,,,,,,PNQFRPZBIORRRX-SFTDATJTSA-N,,,,,,,,,,,
100.073.158,280-497-0,83578-92-1,"1,8-diamino-2,4,5,7-tetrachloroanthraquinone","1,8-diamino-2,4,5,7-tetrachloro-9,10-anthraquinone",Nc1c(Cl)cc(Cl)c2C(=O)c3c(Cl)cc(Cl)c(N)c3C(=O)c12,Nc1c(Cl)cc(Cl)c2C(=O)c3c(Cl)cc(Cl)c(N)c3C(=O)c12,"InChI=1/C14H6Cl4N2O2/c15-3-1-5(17)11(19)9-7(3)13(21)8-4(16)2-6(18)12(20)10(8)14(9)22/h1-2H,19-20H2",C14H6Cl4N2O2,,,,,,ADWASFABXNYXBP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.161,280-500-5,83579-28-6,N-(hydroxymethyl)-N-vinylformamide,N-(hydroxymethyl)-N-vinylformamide,OCN(C=C)C=O,OCN(C=C)C=O,"InChI=1/C4H7NO2/c1-2-5(3-6)4-7/h2-3,7H,1,4H2",C4H7NO2,,,,,,MLADWLUEOJQILB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.166,280-505-2,83590-79-8,N-[(benzyloxy)carbonyl]-3-phenyl-L-alanyl-N5-carbamoyl-N-(p-nitrophenyl)-L-ornithinamide,N-[(benzyloxy)carbonyl]-L-phenylalanyl-N~5~-carbamoyl-N-(4-nitrophenyl)-L-ornithinamide,NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)Nc3ccc(cc3)[N+](=O)[O-],NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)Nc3ccc(cc3)[N+](=O)[O-],"InChI=1/C29H32N6O7/c30-28(38)31-17-7-12-24(26(36)32-22-13-15-23(16-14-22)35(40)41)33-27(37)25(18-20-8-3-1-4-9-20)34-29(39)42-19-21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,32,36)(H,33,37)(H,34,39)(H3,30,31,38)",C29H32N6O7,,,,,,PIJMMJTUSDGPSK-DQEYMECFSA-N,,,,,,,,,,,
100.073.170,280-509-4,83623-26-1,(carboxymethyl)dimethyl-3-[(2-methyl-1-oxoallyl)amino]propylammonium hydroxide,"N-(carboxymethyl)-3-(methacryloylamino)-N,N-dimethylpropan-1-aminium hydroxide",[OH-].CC(=C)C(=O)NCCC[N+](C)(C)CC(=O)O,[OH-].CC(=C)C(=O)NCCC[N+](C)(C)CC(=O)O,"InChI=1/C11H20N2O3.H2O/c1-9(2)11(16)12-6-5-7-13(3,4)8-10(14)15;/h1,5-8H2,2-4H3,(H-,12,14,15,16);1H2",C11H20N2O3,,,,,,ULQOAAQWNDVVDP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.564,256-740-1,50727-94-1,"2,3-epoxy-3,7-dimethyloct-6-enol",[3-methyl-3-(4-methylpent-3-en-1-yl)oxiran-2-yl]methanol,CC(=CCCC1(C)OC1CO)C,CC(=CCCC1(C)OC1CO)C,"InChI=1/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3",C10H18O2,,,,,,RZRBXGPSHVAUQO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.566,256-742-2,50729-75-4,"6-[2-(2-undecyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine","6-[2-(2-undecyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine",CCCCCCCCCCCc1nccn1CCc2nc(N)nc(N)n2,CCCCCCCCCCCc1nccn1CCc2nc(N)nc(N)n2,"InChI=1/C19H33N7/c1-2-3-4-5-6-7-8-9-10-11-17-22-13-15-26(17)14-12-16-23-18(20)25-19(21)24-16/h13,15H,2-12,14H2,1H3,(H4,20,21,23,24,25)",C19H33N7,,,,,,QZDGTFKTHGKXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.568,256-744-3,50732-06-4,Methyl N-benzoyl-L-methionate,methyl N-benzoyl-L-methioninate,COC(=O)[C@H](CCSC)NC(=O)c1ccccc1,COC(=O)[C@H](CCSC)NC(=O)c1ccccc1,"InChI=1/C13H17NO3S/c1-17-13(16)11(8-9-18-2)14-12(15)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)",C13H17NO3S,,,,,,GDYWLOSEHSCOED-NSHDSACASA-N,,,,,,,,,,,
100.051.570,256-746-4,50733-95-4,1-butylpiperazine dihydrochloride,1-butylpiperazine dihydrochloride,Cl.Cl.CCCCN1CCNCC1,Cl.Cl.CCCCN1CCNCC1,"InChI=1/C8H18N2.2ClH/c1-2-3-6-10-7-4-9-5-8-10;;/h9H,2-8H2,1H3;2*1H",C8H18N2.2ClH,,,,,,SBJSIKFDCGEKRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.212,256-352-2,48076-79-5,N-[3-[(2-aminoethyl)amino]propyl]stearamide,N-{3-[(2-aminoethyl)amino]propyl}octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCN,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCN,"InChI=1/C23H49N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(27)26-21-17-20-25-22-19-24/h25H,2-22,24H2,1H3,(H,26,27)",C23H49N3O,,,,,,VPKNNEKZKMZRIF-UHFFFAOYSA-N,,,,,,,,,,,
100.051.216,256-356-4,48122-14-1,Hexahydro-1-methylphthalic anhydride,"3a-methylhexahydro-2-benzofuran-1,3-dione",CC12CCCCC1C(=O)OC2=O,CC12CCCCC1C(=O)OC2=O,"InChI=1/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3",C9H12O3,,,,,,VYKXQOYUCMREIS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.220,256-361-1,48152-09-6,"4,4'-(propane-1,3-diyl)bismorpholine","4,4'-propane-1,3-diyldimorpholine",C(CN1CCOCC1)CN2CCOCC2,C(CN1CCOCC1)CN2CCOCC2,InChI=1/C11H22N2O2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h1-11H2,C11H22N2O2,,,,,,PENRYFPQHOTBJV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.225,256-366-9,49553-64-2,Isononyl anthranilate,7-methyloctyl 2-aminobenzoate,CC(C)CCCCCCOC(=O)c1ccccc1N,CC(C)CCCCCCOC(=O)c1ccccc1N,"InChI=1/C16H25NO2/c1-13(2)9-5-3-4-8-12-19-16(18)14-10-6-7-11-15(14)17/h6-7,10-11,13H,3-5,8-9,12,17H2,1-2H3",C16H25NO2,,,,,,QVRHULGJFPSMPU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.234,256-376-3,49562-28-9,Fenofibrate,isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,"InChI=1/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3",C20H21ClO4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1406,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.234,YMTINGFKWWXKFG-UHFFFAOYSA-N,Positive,SM860602;EA033601|EA033602|EA033603|EA033604|EA033605|EA033606|EA033607|EA033608|EA033609|EA033610|EA033611|EA033612|EA033613|EA033614,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,138.9945:233.0364:121.0284;233.0365:273.0675:319.0729|361.1201:233.0363:138.9946|233.0364:138.9945:121.0283|138.9947:233.0365:121.0285|138.9946:121.0284:233.0367|138.9946:121.0284:139.0061|139.0056:138.9945:121.0284|361.1202:233.0363:319.0738|233.0365:138.9945:121.0284|138.9945:233.0362:121.0284|138.9945:121.0284:233.0363|138.9945:121.0284:139.0057|139.0057:138.9945:121.0284|233.0365:319.0729:273.0675,CASMI_2016;Eawag,,,,,
100.051.235,256-377-9,49562-37-0,2-methyl-2-(sulphooxy)propionamide,"2-amino-1,1-dimethyl-2-oxoethyl hydrogen sulfate",CC(C)(OS(=O)(=O)O)C(=O)N,CC(C)(OS(=O)(=O)O)C(=O)N,"InChI=1/C4H9NO5S/c1-4(2,3(5)6)10-11(7,8)9/h1-2H3,(H2,5,6)(H,7,8,9)",C4H9NO5S,,,,,,NSHFQYAPOLHROS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.237,256-380-5,49564-57-0,"4-amino-5-methoxy-N,2-dimethylbenzenesulphonamide","4-amino-5-methoxy-N,2-dimethylbenzenesulfonamide",CNS(=O)(=O)c1cc(OC)c(N)cc1C,CNS(=O)(=O)c1cc(OC)c(N)cc1C,"InChI=1/C9H14N2O3S/c1-6-4-7(10)8(14-3)5-9(6)15(12,13)11-2/h4-5,11H,10H2,1-3H3",C9H14N2O3S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5755,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.237,GWSQAGVGSHXRJK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.239,256-382-6,49571-02-0,1-[2-chloro-3-(2-methylpropoxy)propyl]pyrrolidine,1-(2-chloro-3-isobutoxypropyl)pyrrolidine,CC(C)COCC(Cl)CN1CCCC1,CC(C)COCC(Cl)CN1CCCC1,"InChI=1/C11H22ClNO/c1-10(2)8-14-9-11(12)7-13-5-3-4-6-13/h10-11H,3-9H2,1-2H3",C11H22ClNO,,,,,,HOUFSDUTCAUBHL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.240,256-383-1,49571-03-1,a-[(2-methylpropoxy)methyl]pyrrolidine-1-ethanol,1-isobutoxy-3-pyrrolidin-1-ylpropan-2-ol,CC(C)COCC(O)CN1CCCC1,CC(C)COCC(O)CN1CCCC1,"InChI=1/C11H23NO2/c1-10(2)8-14-9-11(13)7-12-5-3-4-6-12/h10-11,13H,3-9H2,1-2H3",C11H23NO2,,,,,,ZZUOXVBESBSCPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.243,256-386-8,49576-57-0,(E)-2-methyloct-2-enal,2-methyloct-2-enal,CCCCC\\C=C(/C)\\C=O,CCCCC\C=C(/C)\C=O,"InChI=1/C9H16O/c1-3-4-5-6-7-9(2)8-10/h7-8H,3-6H2,1-2H3",C9H16O,,,,,,IHZRGRBFNMNNFV-VQHVLOKHSA-N,,,,,,,,,,,
100.053.626,259-007-4,54164-91-9,"cis-4-hydroxy-a,a,4-trimethylcyclohex-2-ene-1-methanol",4-(1-hydroxy-1-methylethyl)-1-methylcyclohex-2-en-1-ol,CC(C)(O)[C@H]1CC[C@@](C)(O)C=C1,CC(C)(O)[C@H]1CC[C@@](C)(O)C=C1,"InChI=1/C10H18O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h4,6,8,11-12H,5,7H2,1-3H3",C10H18O2,,,,,,XWFVRMWMBYDDFY-SCZZXKLOSA-N,,,,,,,,,,,
100.053.628,259-010-0,54170-19-3,"2,2-diethoxyethyl(methyl)ammonium chloride","2,2-diethoxy-N-methylethanaminium chloride",[Cl-].CCOC(C[NH2+]C)OCC,[Cl-].CCOC(C[NH2+]C)OCC,"InChI=1/C7H17NO2.ClH/c1-4-9-7(6-8-3)10-5-2;/h7-8H,4-6H2,1-3H3;1H",C7H17NO2.ClH,,,,,,KZYYTQBPRJNKFR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.056,258-381-6,53127-03-0,"Phosphoric acid, butyl ester, ammonium salt",ammonium butyl hydrogen phosphate,[NH4+].CCCCOP(=O)(O)[O-],[NH4+].CCCCOP(=O)(O)[O-],"InChI=1/C4H11O4P.H3N/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);1H3",-,,,,,,FTGVBNYAAXQWQM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.061,258-386-3,53135-64-1,3-propoxyprop-1-yne,3-propoxyprop-1-yne,CCCOCC#C,CCCOCC#C,"InChI=1/C6H10O/c1-3-5-7-6-4-2/h1H,4-6H2,2H3",C6H10O,,,,,,XEKBFEGUEXOLCV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.063,258-388-4,53143-08-1,Sodium titanium fluoride,-,[F-].[Na+].[Ti+2],[F-].[Na+].[Ti+2],InChI=1/FH.Na.Ti/h1H;;/q;+1;+2/p-1,-,,,,,,USSXZCPEXZCXTR-UHFFFAOYSA-M,,,,,,,,,,,
100.053.065,258-391-0,53146-47-7,"1,3-bis(2-methylpropoxy)propan-2-ol","1,3-diisobutoxypropan-2-ol",CC(C)COCC(O)COCC(C)C,CC(C)COCC(O)COCC(C)C,"InChI=1/C11H24O3/c1-9(2)5-13-7-11(12)8-14-6-10(3)4/h9-12H,5-8H2,1-4H3",C11H24O3,,,,,,NUYSFVDIFREUIM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.068,258-394-7,53151-79-4,"3,4,5-trimethylhexan-1-ol","3,4,5-trimethylhexan-1-ol",CC(C)C(C)C(C)CCO,CC(C)C(C)C(C)CCO,"InChI=1/C9H20O/c1-7(2)9(4)8(3)5-6-10/h7-10H,5-6H2,1-4H3",C9H20O,,,,,,MQQCUZGHANGGIT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.072,258-398-9,53153-66-5,3-methylnon-2-enenitrile,3-methylnon-2-enenitrile,CC(CCCCCC)=CC#N,CC(CCCCCC)=CC#N,"InChI=1/C10H17N/c1-3-4-5-6-7-10(2)8-9-11/h8H,3-7H2,1-2H3",C10H17N,,,,,,MQAQVKBUJPAQIG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.073,258-399-4,53153-67-6,"2,3-dimethylnon-2-enenitrile","2,3-dimethylnon-2-enenitrile",CC(CCCCCC)=C(C)C#N,CC(CCCCCC)=C(C)C#N,"InChI=1/C11H19N/c1-4-5-6-7-8-10(2)11(3)9-12/h4-8H2,1-3H3",C11H19N,,,,,,FCYCBANDFCFMCL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.077,258-403-4,53164-05-9,Acemetacin,{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}acetic acid,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,"InChI=1/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)",C21H18ClNO6,,,,,,FSQKKOOTNAMONP-UHFFFAOYSA-N,Positive/Negative,AU215101|AU215102|AU215103|AU215104|AU215105;EQ312201|EQ312202|EQ312203|EQ312204|EQ312205|EQ312206,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,416.093:418.0894:417.0956|138.9948:140.9925:174.0917|138.9946:140.9928:174.0927|138.9952:140.9921:139.9992|138.9949:140.9927:139.9986;138.9945:312.0785:260.0919|138.9946:174.0911|138.9946:139.0059:174.0911|138.9946:139.0058:129.01|138.9946:139.0057:129.0102|139.0058:138.9946:129.0103,Athens_Univ;Eawag,EQ312251|EQ312252|EQ312253|EQ312254|EQ312255|EQ312256,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,75.0088:312.0798:72.9932|75.0088:312.0798:297.0562|75.0088:297.0561:282.0326|75.0088:282.0326:158.0611|75.0088:158.0612:282.0327|75.0088:158.0611:282.0327,Eawag
100.053.079,258-406-0,53167-78-5,3-benzyl-2-[3-[3-benzyl-3H-benzoxazol-2-ylidene]prop-1-enyl]benzoxazolium bromide,"3-benzyl-2-[3-(3-benzyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium bromide",[Br-].c5cccc6OC(=CC=Cc2oc3ccccc3[n+]2Cc1ccccc1)N(Cc4ccccc4)c56,[Br-].c5cccc6OC(=CC=Cc2oc3ccccc3[n+]2Cc1ccccc1)N(Cc4ccccc4)c56,"InChI=1/C31H25N2O2.BrH/c1-3-12-24(13-4-1)22-32-26-16-7-9-18-28(26)34-30(32)20-11-21-31-33(23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)35-31;/h1-21H,22-23H2;1H/q+1;/p-1",C31H25N2O2.Br,,,,,,RYESWUOSHWMOBG-UHFFFAOYSA-M,,,,,,,,,,,
100.053.089,258-417-0,53183-57-6,"[2-hydroxy-3-[(1-oxohexadecyl)oxy]propyl] hydrogen 2,3-diacetoxysuccinate","2,3-diacetoxy-4-[2-hydroxy-3-(palmitoyloxy)propoxy]-4-oxobutanoic acid",CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O,CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O,"InChI=1/C27H46O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-18-22(30)19-36-27(34)25(38-21(3)29)24(26(32)33)37-20(2)28/h22,24-25,30H,4-19H2,1-3H3,(H,32,33)",C27H46O11,,,,,,GZLVZMUTEZRBOV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.090,258-418-6,53184-67-1,Nonyl propionate,nonyl propionate,CCCCCCCCCOC(=O)CC,CCCCCCCCCOC(=O)CC,"InChI=1/C12H24O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h3-11H2,1-2H3",C12H24O2,,,,,,MPSVBCFDONBQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.092,258-420-7,53185-52-7,"3-methoxy-N,N-dimethylpropionamide","3-methoxy-N,N-dimethylpropanamide",COCCC(=O)N(C)C,COCCC(=O)N(C)C,"InChI=1/C6H13NO2/c1-7(2)6(8)4-5-9-3/h4-5H2,1-3H3",C6H13NO2,,,,,,LBVMWHCOFMFPEG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.670,255-756-6,42313-44-0,N-[2-(bromomethyl)-3-chlorophenyl]benzamide,N-[2-(bromomethyl)-3-chlorophenyl]benzamide,Clc1cccc(NC(=O)c2ccccc2)c1CBr,Clc1cccc(NC(=O)c2ccccc2)c1CBr,"InChI=1/C14H11BrClNO/c15-9-11-12(16)7-4-8-13(11)17-14(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)",C14H11BrClNO,,,,,,BMSGZRZPBBFGEB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.676,255-762-9,42344-05-8,"N,N-dimethyl-4-nitrosoanilinium chloride","N,N-dimethyl-4-nitrosoanilinium chloride",[Cl-].C[NH+](C)c1ccc(cc1)N=O,[Cl-].C[NH+](C)c1ccc(cc1)N=O,"InChI=1/C8H10N2O.ClH/c1-10(2)8-5-3-7(9-11)4-6-8;/h3-6H,1-2H3;1H",C8H10N2O.ClH,,,,,,TVFXOIYPLHTRQR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.678,255-765-5,42346-68-9,1-methyl-5-oxopyrrolidine-3-carboxylic acid,1-methyl-5-oxopyrrolidine-3-carboxylic acid,CN1CC(CC1=O)C(=O)O,CN1CC(CC1=O)C(=O)O,"InChI=1/C6H9NO3/c1-7-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,9,10)",C6H9NO3,,,,,,YHDZDIPQCVCIJS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.681,255-768-1,42352-92-1,"Hydrogen [4-[4-(diethylamino)-a-(2,7-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium","1-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3c(ccc4ccc(cc34)S(=O)(=O)[O-])S(=O)(=O)[O-],CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3c(ccc4ccc(cc34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C31H34N2O6S2/c1-5-32(6-2)25-15-9-23(10-16-25)30(24-11-17-26(18-12-24)33(7-3)8-4)31-28-21-27(40(34,35)36)19-13-22(28)14-20-29(31)41(37,38)39/h9-21H,5-8H2,1-4H3,(H-,34,35,36,37,38,39)/p-1",C31H34N2O6S2,,,,,,HEDOUMZOEMHXAK-UHFFFAOYSA-M,,,,,,,,,,,
100.049.408,254-368-4,39232-91-2,3-methoxyphenylhydrazine hydrochloride,(3-methoxyphenyl)hydrazine hydrochloride,Cl.COc1cccc(NN)c1,Cl.COc1cccc(NN)c1,"InChI=1/C7H10N2O.ClH/c1-10-7-4-2-3-6(5-7)9-8;/h2-5,9H,8H2,1H3;1H",C7H10N2O.ClH,,,,,,GMXFZBZOVZOYNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.410,254-371-0,39234-86-1,"3,5-bis(trifluoromethyl)benzenesulphonyl chloride","3,5-bis(trifluoromethyl)benzenesulfonyl chloride",FC(F)(F)c1cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F,FC(F)(F)c1cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F,"InChI=1/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H",C8H3ClF6O2S,,,,,,BTRCVKADYDVSLI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.413,254-374-7,39240-97-6,N-chloro-2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide,N-chloro-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide,CC(C)C(=O)N(Cl)c1cccc(c1)C(F)(F)F,CC(C)C(=O)N(Cl)c1cccc(c1)C(F)(F)F,"InChI=1/C11H11ClF3NO/c1-7(2)10(17)16(12)9-5-3-4-8(6-9)11(13,14)15/h3-7H,1-2H3",C11H11ClF3NO,,,,,,DNZRWVNXKTZXDM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.414,254-375-2,39245-23-3,4-cinnamyl-1-[(4-chlorophenyl)benzyl]piperazine dihydrochloride,1-[(4'-chlorobiphenyl-2-yl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine dihydrochloride,Cl.Cl.Clc1ccc(cc1)c2ccccc2CN3CCN(C\\C=C\\c4ccccc4)CC3,Cl.Cl.Clc1ccc(cc1)c2ccccc2CN3CCN(C\C=C\c4ccccc4)CC3,"InChI=1/C26H27ClN2.2ClH/c27-25-14-12-23(13-15-25)26-11-5-4-10-24(26)21-29-19-17-28(18-20-29)16-6-9-22-7-2-1-3-8-22;;/h1-15H,16-21H2;2*1H",C26H27ClN2.2ClH,,,,,,GBRNRSODYYXBMH-SWSRPJROSA-N,,,,,,,,,,,
100.051.583,256-761-6,50786-82-8,4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride,3-(4-{3-[(trifluoromethyl)sulfanyl]phenyl}piperazin-1-yl)propanenitrile hydrochloride,Cl.FC(F)(F)Sc1cccc(c1)N2CCN(CCC#N)CC2,Cl.FC(F)(F)Sc1cccc(c1)N2CCN(CCC#N)CC2,"InChI=1/C14H16F3N3S.ClH/c15-14(16,17)21-13-4-1-3-12(11-13)20-9-7-19(8-10-20)6-2-5-18;/h1,3-4,11H,2,6-10H2;1H",C14H16F3N3S.ClH,,,,,,JDGNUSJAGYKVGM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.587,256-765-8,50789-44-1,m-phenoxybenzyl acetate,3-phenoxybenzyl acetate,CC(=O)OCc1cccc(Oc2ccccc2)c1,CC(=O)OCc1cccc(Oc2ccccc2)c1,"InChI=1/C15H14O3/c1-12(16)17-11-13-6-5-9-15(10-13)18-14-7-3-2-4-8-14/h2-10H,11H2,1H3",C15H14O3,,,,,,XPHQNMNGUGOWGU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.589,256-767-9,50793-85-6,4-cyanophenyl 4-hexylbenzoate,4-cyanophenyl 4-hexylbenzoate,CCCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,CCCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,"InChI=1/C20H21NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h7-14H,2-6H2,1H3",C20H21NO2,,,,,,DEUWEGPRKHPNKB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.593,256-772-6,50807-17-5,"2,2-dichloro-1-[4-(1,1-dimethylethyl)phenyl]ethan-1-one","1-(4-tert-butylphenyl)-2,2-dichloroethanone",CC(C)(C)c1ccc(cc1)C(=O)C(Cl)Cl,CC(C)(C)c1ccc(cc1)C(=O)C(Cl)Cl,"InChI=1/C12H14Cl2O/c1-12(2,3)9-6-4-8(5-7-9)10(15)11(13)14/h4-7,11H,1-3H3",C12H14Cl2O,,,,,,VMCRQYHCDSXNLW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.602,256-782-0,50814-29-4,"Disodium 4,4'-bis[(4-hydroxy-2-methylphenyl)azo]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-hydroxy-2-methylphenyl)diazenyl]benzenesulfonate}",[Na+].[Na+].Oc4cc(C)c(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1C)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,[Na+].[Na+].Oc4cc(C)c(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1C)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,"InChI=1/C28H24N4O8S2.2Na/c1-17-13-23(33)9-11-25(17)31-29-21-7-5-19(27(15-21)41(35,36)37)3-4-20-6-8-22(16-28(20)42(38,39)40)30-32-26-12-10-24(34)14-18(26)2;;/h3-16,33-34H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C28H24N4O8S2.2Na,,,,,,XEDIAADXGXSTIR-ZCKCZGSLSA-L,,,,,,,,,,,
100.051.605,256-785-7,50816-19-8,8-bromooctan-1-ol,8-bromooctan-1-ol,OCCCCCCCCBr,OCCCCCCCCBr,"InChI=1/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2",C8H17BrO,,,,,,GMXIEASXPUEOTG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.606,256-786-2,50816-20-1,2-[(8-bromooctyl)oxy]tetrahydro-2H-pyran,2-[(8-bromooctyl)oxy]tetrahydro-2H-pyran,BrCCCCCCCCOC1CCCCO1,BrCCCCCCCCOC1CCCCO1,"InChI=1/C13H25BrO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h13H,1-12H2",C13H25BrO2,,,,,,JCRBYQZIJFWGOO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.614,256-795-1,50844-57-0,"m-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate","1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)benzene",FC(F)C(F)(F)Oc1cccc(c1)N=C=O,FC(F)C(F)(F)Oc1cccc(c1)N=C=O,"InChI=1/C9H5F4NO2/c10-8(11)9(12,13)16-7-3-1-2-6(4-7)14-5-15/h1-4,8H",C9H5F4NO2,,,,,,QIGRBWQBVSSVQX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.619,256-800-7,50850-27-6,"1,5-diacetyloctahydro-3-nitro-7-nitroso-1,3,5,7-tetrazocine","1,5-diacetyl-3-nitro-7-nitroso-1,3,5,7-tetrazocane",CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])C(=O)C)N=O,CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])C(=O)C)N=O,"InChI=1/C8H14N6O5/c1-7(15)10-3-12(9-17)4-11(8(2)16)6-13(5-10)14(18)19/h3-6H2,1-2H3",C8H14N6O5,,,,,,XEXPATDVDFKQOM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.624,256-805-4,50854-94-9,Undecylbenzenesulphonic acid,2-undecylbenzenesulfonic acid,CCCCCCCCCCCc1ccccc1S(=O)(=O)O,CCCCCCCCCCCc1ccccc1S(=O)(=O)O,"InChI=1/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21(18,19)20/h11-12,14-15H,2-10,13H2,1H3,(H,18,19,20)",C17H28O3S,,,,,,XNESFGKFSZHIKF-UHFFFAOYSA-N,,,,,,,,,,,
100.075.025,282-554-5,84255-06-1,1-benzhydryl-4-[(4-methoxy-3-nitrophenyl)methyl]piperazine,1-(diphenylmethyl)-4-(4-methoxy-3-nitrobenzyl)piperazine,COc1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1[N+](=O)[O-],COc1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1[N+](=O)[O-],"InChI=1/C25H27N3O3/c1-31-24-13-12-20(18-23(24)28(29)30)19-26-14-16-27(17-15-26)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,25H,14-17,19H2,1H3",C25H27N3O3,,,,,,GDMKQKMDYSNLQY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.031,282-560-8,84255-13-0,4-[(4-nitrophenyl)azo]-o-toluidine,2-methyl-4-[(4-nitrophenyl)diazenyl]aniline,Cc2cc(N=Nc1ccc(cc1)[N+]([O-])=O)ccc2N,Cc2cc(N=Nc1ccc(cc1)[N+]([O-])=O)ccc2N,"InChI=1/C13H12N4O2/c1-9-8-11(4-7-13(9)14)16-15-10-2-5-12(6-3-10)17(18)19/h2-8H,14H2,1H3",C13H12N4O2,,,,,,YIRVXTSCTZTERY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.032,282-561-3,84255-15-2,"4,4'-carbonimidoylbis[N,N-dimethylaniline] nitrate","4,4'-carbonimidoylbis(N,N-dimethylaniline) nitrate",CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C.O[N+](=O)[O-],CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C.O[N+](=O)[O-],"InChI=1/C17H21N3.HNO3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;2-1(3)4/h5-12,18H,1-4H3;(H,2,3,4)",C17H21N3.HNO3,,,,,,LORQGAZBFSNIPI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.038,282-568-1,84255-21-0,2-ethyl-1H-imidazole-4-carboxylic acid,2-ethyl-1H-imidazole-4-carboxylic acid,CCc1nc(c[nH]1)C(=O)O,CCc1nc(c[nH]1)C(=O)O,"InChI=1/C6H8N2O2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)",C6H8N2O2,,,,,,NRIUQHNTFFNDMW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.040,282-570-2,84255-23-2,2-heptadecyl-1H-imidazole-4-carboxylic acid,2-heptadecyl-1H-imidazole-4-carboxylic acid,CCCCCCCCCCCCCCCCCc1nc(c[nH]1)C(=O)O,CCCCCCCCCCCCCCCCCc1nc(c[nH]1)C(=O)O,"InChI=1/C21H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19(23-20)21(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)",C21H38N2O2,,,,,,NPSQOIASPSALLK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.043,282-573-9,84255-26-5,4-methyl-2-undecyl-1H-imidazole-5-carboxylic acid,4-methyl-2-undecyl-1H-imidazole-5-carboxylic acid,CCCCCCCCCCCc1nc(C)c([nH]1)C(=O)O,CCCCCCCCCCCc1nc(C)c([nH]1)C(=O)O,"InChI=1/C16H28N2O2/c1-3-4-5-6-7-8-9-10-11-12-14-17-13(2)15(18-14)16(19)20/h3-12H2,1-2H3,(H,17,18)(H,19,20)",C16H28N2O2,,,,,,NHZIYMXVHIPXJY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.046,282-577-0,84255-29-8,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-isoleucine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-isoleucine - piperidine (1:1),CCC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CCC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C18H24N2O4S.C5H11N/c1-5-12(2)17(18(21)22)19-25(23,24)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4;1-2-4-6-5-3-1/h6-12,17,19H,5H2,1-4H3,(H,21,22);6H,1-5H2",C18H24N2O4S.C5H11N,,,,,,GZONKPWJSKEJIC-YYEGJJRBSA-N,,,,,,,,,,,
100.075.053,282-584-9,84255-36-7,Disodium 2-benzoyl-7-naphthyl phosphate,disodium 7-benzoyl-2-naphthyl phosphate,[Na+].[Na+].[O-]P(=O)([O-])Oc1ccc2ccc(cc2c1)C(=O)c3ccccc3,[Na+].[Na+].[O-]P(=O)([O-])Oc1ccc2ccc(cc2c1)C(=O)c3ccccc3,"InChI=1/C17H13O5P.2Na/c18-17(13-4-2-1-3-5-13)14-7-6-12-8-9-16(11-15(12)10-14)22-23(19,20)21;;/h1-11H,(H2,19,20,21);;/q;2*+1/p-2",C17H13O5P.2Na,,,,,,YUYBFJNKRHIBIO-UHFFFAOYSA-L,,,,,,,,,,,
100.075.061,282-593-8,84255-44-7,"2-(1,3-diphenylbutyl)-p-xylene","2-(1,3-diphenylbutyl)-1,4-dimethylbenzene",CC(CC(c1ccccc1)c2cc(C)ccc2C)c3ccccc3,CC(CC(c1ccccc1)c2cc(C)ccc2C)c3ccccc3,"InChI=1/C24H26/c1-18-14-15-19(2)23(16-18)24(22-12-8-5-9-13-22)17-20(3)21-10-6-4-7-11-21/h4-16,20,24H,17H2,1-3H3",C24H26,,,,,,ABXLPLLAOXKDDO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.128,278-264-3,75593-59-8,Potassium 3-(4-nitrophenoxy)propanesulphonate,potassium 3-(4-nitrophenoxy)propane-1-sulfonate,[K+].[O-][N+](=O)c1ccc(OCCCS(=O)(=O)[O-])cc1,[K+].[O-][N+](=O)c1ccc(OCCCS(=O)(=O)[O-])cc1,"InChI=1/C9H11NO6S.K/c11-10(12)8-2-4-9(5-3-8)16-6-1-7-17(13,14)15;/h2-5H,1,6-7H2,(H,13,14,15);/q;+1/p-1",C9H11NO6S.K,,,,,,SWIZKNXTASMBSR-UHFFFAOYSA-M,,,,,,,,,,,
100.071.332,278-488-1,76547-98-3,Lisinopril,N~2~-(1-carboxy-3-phenylpropyl)-L-lysyl-L-proline,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O,"InChI=1/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)",C21H31N3O5,,,,,,RLAWWYSOJDYHDC-BZSNNMDCSA-N,,,,,,,,,,,
100.071.339,278-496-5,76596-58-2,"3-bromo-a-[[(1,1-dimethylethyl)amino]methyl]isoxazole-5-methanol monohydrochloride",1-(3-bromoisoxazol-5-yl)-2-(tert-butylamino)ethanol hydrochloride,Cl.CC(C)(C)NCC(O)c1onc(Br)c1,Cl.CC(C)(C)NCC(O)c1onc(Br)c1,"InChI=1/C9H15BrN2O2.ClH/c1-9(2,3)11-5-6(13)7-4-8(10)12-14-7;/h4,6,11,13H,5H2,1-3H3;1H",C9H15BrN2O2.ClH,,,,,,JILLNVBIEKMQLV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.345,278-502-6,76619-89-1,5-amino-m-cresol,3-amino-5-methylphenol,Cc1cc(N)cc(O)c1,Cc1cc(N)cc(O)c1,"InChI=1/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3",C7H9NO,,,,,,NCUABBHFJSFKOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.351,278-508-9,76649-14-4,Oct-3-en-2-ol,oct-3-en-2-ol,CC(O)C=CCCCC,CC(O)C=CCCCC,"InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3",C8H16O,,,,,,YJJIVDCKSZMHGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.354,278-512-0,76649-19-9,"1,2-dimethyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propen-1-yl acetate","1,2-dimethyl-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-1-en-1-yl acetate",CC1(C)CCCC(\\C)=C1\\CC(C)=C(C)OC(C)=O,CC1(C)CCCC(\C)=C1\CC(C)=C(C)OC(C)=O,"InChI=1/C16H26O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h7-10H2,1-6H3",C16H26O2,,,,,,VZQBEMXDOBQTEV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.181,253-016-7,36399-21-0,1-allylcyclopentan-1-ol,1-allylcyclopentanol,OC1(CC=C)CCCC1,OC1(CC=C)CCCC1,"InChI=1/C8H14O/c1-2-5-8(9)6-3-4-7-8/h2,9H,1,3-7H2",C8H14O,,,,,,LEWSEJSBOCWBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.184,253-019-3,36409-57-1,Disodium [(dodecyloxy)sulphonyl]succinate,disodium 2-[(dodecyloxy)sulfonyl]succinate,[Na+].[Na+].CCCCCCCCCCCCOS(=O)(=O)C(CC(=O)[O-])C(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCOS(=O)(=O)C(CC(=O)[O-])C(=O)[O-],"InChI=1/C16H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-24(21,22)14(16(19)20)13-15(17)18;;/h14H,2-13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2",C16H30O7S.2Na,,,,,,RIDICOKGYAHGRG-UHFFFAOYSA-L,,,,,,,,,,,
100.048.185,253-020-9,36409-70-8,Disodium 5-[(4-ethoxyphenyl)azo]-8-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 5-[(4-ethoxyphenyl)diazenyl]-8-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].CCOc1ccc(cc1)N=Nc4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O,[Na+].[Na+].CCOc1ccc(cc1)N=Nc4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O,"InChI=1/C24H20N4O7S2.2Na/c1-2-35-18-7-3-16(4-8-18)25-27-23-13-14-24(22-15-20(37(32,33)34)11-12-21(22)23)28-26-17-5-9-19(10-6-17)36(29,30)31;;/h3-15H,2H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C24H20N4O7S2.2Na,,,,,,CAAGJCREAQXYJN-UHFFFAOYSA-L,,,,,,,,,,,
100.048.188,253-024-0,36415-21-1,2-(furfurylthio)ethylamine,2-[(2-furylmethyl)sulfanyl]ethanamine,NCCSCc1occc1,NCCSCc1occc1,"InChI=1/C7H11NOS/c8-3-5-10-6-7-2-1-4-9-7/h1-2,4H,3,5-6,8H2",C7H11NOS,,,,,,VSPDYEHKAMKDNW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.190,253-026-1,36418-29-8,"(5a,6a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol hydrochloride","3-methoxy-17-methyl-4,5-epoxymorphinan-6-ol hydrochloride",Cl.COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,Cl.COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H23NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;1H",C18H23NO3.ClH,,,,,,VMZXMTVGOAQUEN-FFHNEAJVSA-N,,,,,,,,,,,
100.048.191,253-027-7,36421-15-5,N-(3-chloropropyl)dibutylamine,N-butyl-N-(3-chloropropyl)butan-1-amine,CCCCN(CCCC)CCCCl,CCCCN(CCCC)CCCCl,"InChI=1/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3",C11H24ClN,,,,,,ANLMKUQEPXRMGV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.195,253-031-9,36431-72-8,"2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene","2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene",CC1CCC2(O1)C(=CCCC2(C)C)C,CC1CCC2(O1)C(=CCCC2(C)C)C,"InChI=1/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3",C13H22O,,,,,,GYUZHTWCNKINPY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.198,253-035-0,36436-65-4,"2'-hydroxy-4',5'-dimethylacetophenone","1-(2-hydroxy-4,5-dimethylphenyl)ethanone",CC(=O)c1cc(C)c(C)cc1O,CC(=O)c1cc(C)c(C)cc1O,"InChI=1/C10H12O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h4-5,12H,1-3H3",C10H12O2,,,,,,YXVSURZEXVMUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.199,253-036-6,36437-36-2,"N-[1-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide","N-{1-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-2-naphthamide",CCCC(NC(=O)c1ccc2ccccc2c1O)Oc3ccc(cc3C(C)(C)CC)C(C)(C)CC,CCCC(NC(=O)c1ccc2ccccc2c1O)Oc3ccc(cc3C(C)(C)CC)C(C)(C)CC,"InChI=1/C31H41NO3/c1-8-13-27(32-29(34)24-18-16-21-14-11-12-15-23(21)28(24)33)35-26-19-17-22(30(4,5)9-2)20-25(26)31(6,7)10-3/h11-12,14-20,27,33H,8-10,13H2,1-7H3,(H,32,34)",C31H41NO3,,,,,,YXKKRVMSBXTGPM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.202,253-039-2,36443-68-2,Ethylenebis(oxyethylene) bis[3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate],"ethane-1,2-diylbis(oxyethane-2,1-diyl) bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate]",Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C,Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3",C34H50O8,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13215,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.202,QSRJVOOOWGXUDY-UHFFFAOYSA-N,,,,,,,,,,,
100.048.203,253-040-8,36445-71-3,Disodium decyl(sulphonatophenoxy)benzenesulphonate,disodium 2-decyl-3-(2-sulfonatophenoxy)benzenesulfonate,[Na+].[Na+].[O-]S(=O)(=O)c2ccccc2Oc1cccc(c1CCCCCCCCCC)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c2ccccc2Oc1cccc(c1CCCCCCCCCC)S([O-])(=O)=O,"InChI=1/C22H30O7S2.2Na/c1-2-3-4-5-6-7-8-9-13-18-19(15-12-17-21(18)30(23,24)25)29-20-14-10-11-16-22(20)31(26,27)28;;/h10-12,14-17H,2-9,13H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C22H30O7S2.2Na,,,,,,NZIBOAXKKBSUGP-UHFFFAOYSA-L,,,,,,,,,,,
100.048.206,253-043-4,36452-21-8,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione, disodium salt","1,3,5-triazine-2,4,6(1H,3H,5H)-trione, disodium salt",[Na+].[Na+].O=C1NC(=O)NC(=O)N1,[Na+].[Na+].O=C1NC(=O)NC(=O)N1,"InChI=1/C3H3N3O3.2Na/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);;/q;2*+1",C3H3N3O3.2Na,,,,,,MVJKWKYYJNCLIU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.209,253-047-6,36452-89-8,(decyloxy)(1-methylethoxy)magnesium,magnesium decan-1-olate propan-2-olate,CCCCCCCCCCO[Mg]OC(C)C,CCCCCCCCCCO[Mg]OC(C)C,"InChI=1/C10H21O.C3H7O.Mg/c1-2-3-4-5-6-7-8-9-10-11;1-3(2)4;/h2-10H2,1H3;3H,1-2H3;/q2*-1;+2/rC13H28MgO2/c1-4-5-6-7-8-9-10-11-12-15-14-16-13(2)3/h13H,4-12H2,1-3H3",C13H28MgO2,,,,,,NDCYMUFLJIBKPX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.683,255-770-2,42357-98-2,"6-hydroxy-5-[(2-methoxy-4-nitrophenyl)azo]-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione","6-hydroxy-5-[(2-methoxy-4-nitrophenyl)diazenyl]-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione",[O-][N+](=O)c4ccc(N=Nc1cc2C(=O)N(C)C(=O)c3cccc(c1O)c23)c(OC)c4,[O-][N+](=O)c4ccc(N=Nc1cc2C(=O)N(C)C(=O)c3cccc(c1O)c23)c(OC)c4,"InChI=1/C20H14N4O6/c1-23-19(26)12-5-3-4-11-17(12)13(20(23)27)9-15(18(11)25)22-21-14-7-6-10(24(28)29)8-16(14)30-2/h3-9,25H,1-2H3",C20H14N4O6,,,,,,WCDDKUNFTZUFEA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.687,255-774-4,42358-42-9,"6-hydroxy-2-(3-methoxypropyl)-5-[(4-nitrophenyl)azo]-1H-benz[de]isoquinoline-1,3(2H)-dione","6-hydroxy-2-(3-methoxypropyl)-5-[(4-nitrophenyl)diazenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione",[O-][N+](=O)c1ccc(cc1)N=Nc2cc3C(=O)N(CCCOC)C(=O)c4cccc(c2O)c34,[O-][N+](=O)c1ccc(cc1)N=Nc2cc3C(=O)N(CCCOC)C(=O)c4cccc(c2O)c34,"InChI=1/C22H18N4O6/c1-32-11-3-10-25-21(28)16-5-2-4-15-19(16)17(22(25)29)12-18(20(15)27)24-23-13-6-8-14(9-7-13)26(30)31/h2,4-9,12,27H,3,10-11H2,1H3",C22H18N4O6,,,,,,FMSAPXJGDRQBQW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.699,255-788-0,42379-68-0,3-ethyl-5-methoxy-2-methylbenzothiazolium p-toluenesulphonate,"3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate",CC[n+]1c(C)sc2ccc(OC)cc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[n+]1c(C)sc2ccc(OC)cc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C11H14NOS.C7H8O3S/c1-4-12-8(2)14-11-6-5-9(13-3)7-10(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C11H14NOS.C7H7O3S,,,,,,RAPZVIBWDBUCCW-UHFFFAOYSA-M,,,,,,,,,,,
100.050.703,255-792-2,42389-30-0,5-chloro-3-nitro-o-phenylenediamine,"5-chloro-3-nitrobenzene-1,2-diamine",Nc1cc(Cl)cc(c1N)N(=O)=O,Nc1cc(Cl)cc(c1N)N(=O)=O,"InChI=1/C6H6ClN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2",C6H6ClN3O2,,,,,,PIPKLZRJGNJMBY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.705,255-794-3,42398-73-2,6-methylisoquinoline,6-methylisoquinoline,Cc1ccc2cnccc2c1,Cc1ccc2cnccc2c1,"InChI=1/C10H9N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-7H,1H3",C10H9N,,,,,,PPEJLOXOMBAXES-UHFFFAOYSA-N,,,,,,,,,,,
100.048.575,253-452-8,37294-49-8,Disodium C-isodecyl sulphonatosuccinate,disodium 4-[(8-methylnonyl)oxy]-4-oxo-2-sulfonatobutanoate,CC(C)CCCCCCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na],CC(C)CCCCCCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C14H26O7S.2Na/c1-11(2)8-6-4-3-5-7-9-21-13(15)10-12(14(16)17)22(18,19)20;;/h11-12H,3-10H2,1-2H3,(H,16,17)(H,18,19,20);;/q;2*+1/p-2/rC14H25NaO7S.Na/c1-11(2)8-6-4-3-5-7-9-21-13(16)10-12(14(17)18)23(19,20)22-15;/h11-12H,3-10H2,1-2H3,(H,17,18);/q;+1/p-1",C14H26O7S.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16419,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.575,XGWOIOIVSZIIKJ-UHFFFAOYSA-L,,,,,,,,,,,
100.048.578,253-455-4,37310-83-1,"9-Octadecen-1-ol, (Z)-, phosphate",octadec-9-en-1-yl dihydrogen phosphate,CCCCCCCCC=CCCCCCCCCOP(=O)(O)O,CCCCCCCCC=CCCCCCCCCOP(=O)(O)O,"InChI=1/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11589,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.578,MEESPVWIOBCLJW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.583,253-461-7,37321-15-6,"Silicic acid, nickel salt",nickel(2+) oxosilanediolate,[Ni+2].[O-][Si](=O)[O-],[Ni+2].[O-][Si](=O)[O-],InChI=1/Ni.O3Si/c;1-4(2)3/q+2;-2,-,,,,,,FMQXRRZIHURSLR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.597,253-476-9,37342-39-5,Aluminium calcium silicate(2:1:2),aluminium calcium silicate(2:1:2),[AlH3].[AlH3].[CaH2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[AlH3].[AlH3].[CaH2].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Al.Ca.2O3Si.8H/c;;;2*1-4(2)3;;;;;;;;/q2*+3;+2;2*-2;;;;;;;;/r2AlH3.CaH2.2O3Si/c;;;2*1-4(2)3/h2*1H3;1H2;;/q2*+3;+2;2*-2,Al.1/2Ca.H4O4Si,,,,,,SNPUPXXBTRRFLS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.601,253-481-6,37349-04-5,"4,5-dihydro-2-isoheptadecyl-1H-imidazole-1-ethylamine","2-[2-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-1-yl]ethanamine",CC(C)CCCCCCCCCCCCCCC1=NCCN1CCN,CC(C)CCCCCCCCCCCCCCC1=NCCN1CCN,"InChI=1/C22H45N3/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-24-18-20-25(22)19-17-23/h21H,3-20,23H2,1-2H3",C22H45N3,,,,,,JQVMXZAQBAJMBM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.612,253-493-1,37405-95-1,"4-amino-3-[[4-[[[4-[(2,4-diaminophenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonic acid","4-amino-3-{[4-({4-[(2,4-diaminophenyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",Nc6ccc(N=Nc1ccc(cc1)NC(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S(O)(=O)=O)cc(c(N=Nc4ccccc4)c5O)S(O)(=O)=O)c(N)c6,Nc6ccc(N=Nc1ccc(cc1)NC(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S(O)(=O)=O)cc(c(N=Nc4ccccc4)c5O)S(O)(=O)=O)c(N)c6,"InChI=1/C35H28N10O8S2/c36-21-8-15-27(26(37)18-21)43-40-25-13-11-22(12-14-25)39-35(47)19-6-9-24(10-7-19)42-44-32-28(54(48,49)50)16-20-17-29(55(51,52)53)33(34(46)30(20)31(32)38)45-41-23-4-2-1-3-5-23/h1-18,46H,36-38H2,(H,39,47)(H,48,49,50)(H,51,52,53)",C35H28N10O8S2,,,,,,CJBSTBQSKQOJNB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.492,254-460-4,39455-50-0,Tantalum chloride,tantalum(2+) dichloride,[Cl-].[Cl-].[Ta+2],[Cl-].[Cl-].[Ta+2],InChI=1/2ClH.Ta/h2*1H;/q;;+2/p-2,-,,,,,,XZGGQBBRFYZKTL-UHFFFAOYSA-L,,,,,,,,,,,
100.049.496,254-465-1,39465-00-4,Crocin,N-(4-hydroxyphenyl)acetamide,CC(=O)Nc1ccc(O)cc1,CC(=O)Nc1ccc(O)cc1,"InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",-,,,,,,RZVAJINKPMORJF-UHFFFAOYSA-N,Positive/Negative,AU112601;SM805001;SM866701;EA024301|EA024302|EA024303|EA024304|EA024305|EA024306|EA024307|EA024308|EA024309|EA024310|EA024311|EA024312|EA024313|EA024314;UF409101|UF409102|UF409103|UF409104,[M+H]+;[M+H]+;[M+H]+;[M+H]+;[M+H]+,CID16.3-24.4;HCD35;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35;HCD55|HCD80|CID35|CID55,152.0716:110.0622:65.0389;152.0706:110.06:93.0335;152.0705:110.06:93.0335;152.0707:110.0601:134.0601|152.0708:110.06|152.0707:110.0601:134.0603|152.0707:110.0601:134.0602|110.0601:152.0706:92.0495|110.0601:65.0386:93.0335|110.0601:65.0386:93.0335|152.0707:110.06|152.0706:110.0601:65.0384|152.0706:110.0601:134.06|110.0601:152.0706:65.0386|110.0601:65.0386:93.0335|110.06:65.0386:92.0495|152.0706:110.06:134.06;110.06:152.0707:92.0495|110.06:92.0495:93.0336|110.0601:134.0602:152.0709|110.06:134.0602:111.0443,Athens_Univ;CASMI_2016;CASMI_2016;Eawag;UFZ,EA024351|EA024352|EA024353|EA024354|EA024355|EA024356|EA024357|EA024358|EA024359|EA024360|EA024361|EA024362|EA024364,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,150.0562:107.0376|150.056|150.0563|150.0561:107.0375|107.0377:150.0561|107.0376|107.0375|150.0561|150.056|150.0559:107.0374|107.0375:150.056|107.0374|150.056:107.0375,Eawag
100.053.637,259-020-5,54187-03-0,1-(2-chloroethyl)-3-(dicyclopropylmethyl)urea,1-(2-chloroethyl)-3-(dicyclopropylmethyl)urea,ClCCNC(=O)NC(C1CC1)C2CC2,ClCCNC(=O)NC(C1CC1)C2CC2,"InChI=1/C10H17ClN2O/c11-5-6-12-10(14)13-9(7-1-2-7)8-3-4-8/h7-9H,1-6H2,(H2,12,13,14)",C10H17ClN2O,,,,,,QIIOQYAACVZBNH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.639,259-022-6,54188-79-3,Sodium 6-chloro-3-phenylpyridazin-4-olate,sodium 6-chloro-3-phenylpyridazin-4-olate,[Na+].[O-]c1cc(Cl)nnc1c2ccccc2,[Na+].[O-]c1cc(Cl)nnc1c2ccccc2,"InChI=1/C10H7ClN2O.Na/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;/h1-6H,(H,12,14);/q;+1/p-1",C10H7ClN2O.Na,,,,,,RJWQNRZWVQPHJD-UHFFFAOYSA-M,,,,,,,,,,,
100.053.644,259-027-3,54209-61-9,2-formyl-2-methylethyl acetate,2-methyl-3-oxopropyl acetate,CC(COC(=O)C)C=O,CC(COC(=O)C)C=O,"InChI=1/C6H10O3/c1-5(3-7)4-9-6(2)8/h3,5H,4H2,1-2H3",C6H10O3,,,,,,NXAWYWHMPNQUJN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.662,259-047-2,54260-89-8,Methyl (E)-3-(1H-imidazol-4-yl)acrylate monohydrochloride,methyl 3-(1H-imidazol-4-yl)acrylate hydrochloride,Cl.COC(=O)\\C=C\\c1c[nH]cn1,Cl.COC(=O)\C=C\c1c[nH]cn1,"InChI=1/C7H8N2O2.ClH/c1-11-7(10)3-2-6-4-8-5-9-6;/h2-5H,1H3,(H,8,9);1H",C7H8N2O2.ClH,,,,,,ZCBDROJOIVNJSB-SQQVDAMQSA-N,,,,,,,,,,,
100.053.666,259-051-4,54267-10-6,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-palmitate","11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C37H58O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h20,22,24,29-31,34,39,42H,4-19,21,23,25-26H2,1-3H3",C37H58O6,,,,,,YNVPFGZVMSQKIC-CUUJIVLRSA-N,,,,,,,,,,,
100.053.669,259-055-6,54268-69-8,"2-[4,4-bis[4-(dimethylamino)phenyl]buta-1,3-dienyl]-1,3,3-trimethyl-3H-indolium chloride","2-{4,4-bis[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c4ccc(cc4)N(C)C,[Cl-].CN(C)c1ccc(cc1)C(=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)c4ccc(cc4)N(C)C,"InChI=1/C31H36N3.ClH/c1-31(2)28-12-8-9-13-29(28)34(7)30(31)14-10-11-27(23-15-19-25(20-16-23)32(3)4)24-17-21-26(22-18-24)33(5)6;/h8-22H,1-7H3;1H/q+1;/p-1",C31H36N3.Cl,,,,,,VAASUAVHNVHECY-UHFFFAOYSA-M,,,,,,,,,,,
100.053.671,259-057-7,54272-29-6,Triethylammonium hydrogen sulphate,"N,N-diethylethanaminium hydrogen sulfate",CC[NH+](CC)CC.[O-]S(=O)(=O)[O-],CC[NH+](CC)CC.[O-]S(=O)(=O)[O-],"InChI=1/C6H15N.H2O4S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H2,1,2,3,4)/p-1",C6H15N.xH2O4S,,,,,,JNONJXMVMJSMTC-UHFFFAOYSA-M,,,,,,,,,,,
100.048.223,253-062-8,36495-65-5,Trimethyl[(1-oxooctadecyl)amino]propylammonium chloride,"N,N,N-trimethyl-1-(stearoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)C,"InChI=1/C24H50N2O.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25-23(7-2)26(3,4)5;/h23H,6-22H2,1-5H3;1H",C24H51N2O.Cl,,,,,,OHANZUSHCSEVTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.228,253-068-0,36501-84-5,Lead bis(dipentyldithiocarbamate),-,[Pb+2].[S-]C(=S)N(CCCCC)CCCCC.CCCCCN(CCCCC)C([S-])=S,[Pb+2].[S-]C(=S)N(CCCCC)CCCCC.CCCCCN(CCCCC)C([S-])=S,"InChI=1/2C11H23NS2.Pb.2H/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;;;/h2*3-10H2,1-2H3,(H,13,14);;;/q;;+4;;/p-2/r2C11H23NS2.H2Pb/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,13,14);1H2/q;;+4/p-2",C22H44N2PbS4,,,,,,KDQZPXCKTHKGQM-UHFFFAOYSA-L,,,,,,,,,,,
100.048.229,253-069-6,36503-55-6,"3-(4-ethoxyphenyl)-1,1-dimethylurea","3-(4-ethoxyphenyl)-1,1-dimethylurea",CCOc1ccc(NC(=O)N(C)C)cc1,CCOc1ccc(NC(=O)N(C)C)cc1,"InChI=1/C11H16N2O2/c1-4-15-10-7-5-9(6-8-10)12-11(14)13(2)3/h5-8H,4H2,1-3H3,(H,12,14)",C11H16N2O2,,,,,,ACOZWFISMVUEHN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.235,253-075-9,36508-10-8,"5-[[5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonic acid","4-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonic acid",O=C4C(/CS(O)(=O)=O)=C(/C)\\C(\\N=Nc3cc(Nc2nc(Nc1cccc(c1)S(O)(=O)=O)nc(Cl)n2)ccc3S(O)(=O)=O)=C(\\O)N4CC,O=C4C(/CS(O)(=O)=O)=C(/C)\C(\N=Nc3cc(Nc2nc(Nc1cccc(c1)S(O)(=O)=O)nc(Cl)n2)ccc3S(O)(=O)=O)=C(\O)N4CC,"InChI=1/C24H23ClN8O11S3/c1-3-33-20(34)16(11-45(36,37)38)12(2)19(21(33)35)32-31-17-10-14(7-8-18(17)47(42,43)44)27-24-29-22(25)28-23(30-24)26-13-5-4-6-15(9-13)46(39,40)41/h4-10,35H,3,11H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30)",C24H23ClN8O11S3,,,,,,WKQYCYAFALACBK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.242,253-083-2,36518-76-0,2-amino-4-imino-2-thiazoline hydrochloride,"4-imino-4,5-dihydro-1,3-thiazol-2-amine hydrochloride",Cl.NC1=NC(=N)CS1,Cl.NC1=NC(=N)CS1,"InChI=1/C3H5N3S.ClH/c4-2-1-7-3(5)6-2;/h1H2,(H3,4,5,6);1H",C3H5N3S.ClH,,,,,,ANDLBJXZBLTCDP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.750,254-744-8,40002-62-8,"6,6,7,7,8,8,8-heptafluoro-2-methylocta-3,5-dione","6,6,7,7,8,8,8-heptafluoro-2-methyloctane-3,5-dione",CC(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F,CC(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H9F7O2/c1-4(2)5(17)3-6(18)7(10,11)8(12,13)9(14,15)16/h4H,3H2,1-2H3",C9H9F7O2,,,,,,SRYIDYXKUUXFNI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.356,278-514-1,76649-21-3,3-methyl-2-pentylcyclopentyl acetate,3-methyl-2-pentylcyclopentyl acetate,CCCCCC1C(C)CCC1OC(=O)C,CCCCCC1C(C)CCC1OC(=O)C,"InChI=1/C13H24O2/c1-4-5-6-7-12-10(2)8-9-13(12)15-11(3)14/h10,12-13H,4-9H2,1-3H3",C13H24O2,,,,,,QPFLWOSNOVCWND-UHFFFAOYSA-N,,,,,,,,,,,
100.071.358,278-516-2,76649-23-5,3-methylbut-2-enyl isobutyrate,3-methylbut-2-en-1-yl 2-methylpropanoate,CC(C)C(=O)OCC=C(C)C,CC(C)C(=O)OCC=C(C)C,"InChI=1/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3",C9H16O2,,,,,,YSJHMPXIMIOXGU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.361,278-519-9,76649-26-8,"Nona-3,6-dienyl acetate","nona-3,6-dien-1-yl acetate",CC(=O)OCCC=CCC=CCC,CC(=O)OCCC=CCC=CCC,"InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,7-8H,3,6,9-10H2,1-2H3",C11H18O2,,,,,,CMNKZQXSZSHGNF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.362,278-520-4,76656-36-5,"Disodium 3,3'-carbonylbis[4-hydroxy-6-methoxybenzenesulphonate]","disodium 3,3'-carbonylbis(4-hydroxy-6-methoxybenzenesulfonate)",[Na+].[Na+].COc1cc(O)c(cc1S(=O)(=O)[O-])C(=O)c2cc(c(OC)cc2O)S(=O)(=O)[O-],[Na+].[Na+].COc1cc(O)c(cc1S(=O)(=O)[O-])C(=O)c2cc(c(OC)cc2O)S(=O)(=O)[O-],"InChI=1/C15H14O11S2.2Na/c1-25-11-5-9(16)7(3-13(11)27(19,20)21)15(18)8-4-14(28(22,23)24)12(26-2)6-10(8)17;;/h3-6,16-17H,1-2H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C15H14O11S2.2Na,,,,,,QDCHWIWENYCPIL-UHFFFAOYSA-L,,,,,,,,,,,
100.071.365,278-524-6,76690-81-8,Tris[(3-ethyloxetan-3-yl)methoxy]methylsilane,{tris[(3-ethyloxetan-3-yl)methoxy]methyl}silane,CCC1(COC([SiH3])(OCC2(CC)COC2)OCC3(CC)COC3)COC1,CCC1(COC([SiH3])(OCC2(CC)COC2)OCC3(CC)COC3)COC1,"InChI=1/C19H36O6Si/c1-4-16(7-20-8-16)13-23-19(26,24-14-17(5-2)9-21-10-17)25-15-18(6-3)11-22-12-18/h4-15H2,1-3,26H3",C19H36O6Si,,,,,,NRSCXGMJHFTVEG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.183,280-524-6,83706-48-3,5-chloro-2-(chlorophenylmethylene)valeraldehyde,5-chloro-2-[chloro(phenyl)methylene]pentanal,ClC(=C(C=O)CCCCl)c1ccccc1,ClC(=C(C=O)CCCCl)c1ccccc1,"InChI=1/C12H12Cl2O/c13-8-4-7-11(9-15)12(14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2",C12H12Cl2O,,,,,,RAINYFIXCSEFJY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.185,280-526-7,83706-50-7,1-(4-fluorophenyl)cyclopentanecarbonitrile,1-(4-fluorophenyl)cyclopentanecarbonitrile,Fc1ccc(cc1)C2(CCCC2)C#N,Fc1ccc(cc1)C2(CCCC2)C#N,"InChI=1/C12H12FN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2",C12H12FN,,,,,,MAGOCEYAQAZRNE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.188,280-529-3,83706-53-0,4-chloro-6-iodo-3-nitrotoluene,1-chloro-5-iodo-4-methyl-2-nitrobenzene,Cc1cc(c(Cl)cc1I)[N+](=O)[O-],Cc1cc(c(Cl)cc1I)[N+](=O)[O-],"InChI=1/C7H5ClINO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3",C7H5ClINO2,,,,,,QKCJKTFOGQXDPE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.189,280-530-9,83707-54-4,D-glucitol mono(12-hydroxyoleate),1-O-(12-hydroxyoctadec-9-enoyl)-D-glucitol,CCCCCCC(O)C\\C=C/CCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCC(O)C\C=C/CCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H46O8/c1-2-3-4-11-14-19(26)15-12-9-7-5-6-8-10-13-16-22(29)32-18-21(28)24(31)23(30)20(27)17-25/h9,12,19-21,23-28,30-31H,2-8,10-11,13-18H2,1H3",C24H46O8,,,,,,HFXGNTFMIMBHFO-YYVRDBPMSA-N,,,,,,,,,,,
100.075.063,282-595-9,84255-46-9,"1-(1,3-diphenylbutyl)-2-ethylbenzene","1-(1,3-diphenylbutyl)-2-ethylbenzene",CCc1ccccc1C(CC(C)c2ccccc2)c3ccccc3,CCc1ccccc1C(CC(C)c2ccccc2)c3ccccc3,"InChI=1/C24H26/c1-3-20-12-10-11-17-23(20)24(22-15-8-5-9-16-22)18-19(2)21-13-6-4-7-14-21/h4-17,19,24H,3,18H2,1-2H3",C24H26,,,,,,NKDBDHVHJIIYRT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.067,282-600-4,84255-50-5,1-phenyl-3-(2-phenylpropyl)indan,1-phenyl-3-(2-phenylpropyl)indane,CC(CC1CC(c2ccccc2)c3ccccc13)c4ccccc4,CC(CC1CC(c2ccccc2)c3ccccc13)c4ccccc4,"InChI=1/C24H24/c1-18(19-10-4-2-5-11-19)16-21-17-24(20-12-6-3-7-13-20)23-15-9-8-14-22(21)23/h2-15,18,21,24H,16-17H2,1H3",C24H24,,,,,,JOJLONCHKZAGGP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.079,282-614-0,84271-53-4,N-[3-(6-methoxy-2-benzothiazolyl)-2-oxo-2H-1-benzopyran-7-yl]benzenesulphonamide,"N-[3-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]benzenesulfonamide",COc1ccc2nc(sc2c1)C3=Cc4ccc(NS(=O)(=O)c5ccccc5)cc4OC3=O,COc1ccc2nc(sc2c1)C3=Cc4ccc(NS(=O)(=O)c5ccccc5)cc4OC3=O,"InChI=1/C23H16N2O5S2/c1-29-16-9-10-19-21(13-16)31-22(24-19)18-11-14-7-8-15(12-20(14)30-23(18)26)25-32(27,28)17-5-3-2-4-6-17/h2-13,25H,1H3",C23H16N2O5S2,,,,,,ANCBQOCCNJLKDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.141,278-279-5,75627-24-6,8-amino-5-(naphthylazo)naphthalene-1-sulphonic acid,8-amino-5-(1-naphthyldiazenyl)naphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc4c1c(N)ccc4N=Nc3cccc2ccccc23,OS(=O)(=O)c1cccc4c1c(N)ccc4N=Nc3cccc2ccccc23,"InChI=1/C20H15N3O3S/c21-16-11-12-18(15-8-4-10-19(20(15)16)27(24,25)26)23-22-17-9-3-6-13-5-1-2-7-14(13)17/h1-12H,21H2,(H,24,25,26)",C20H15N3O3S,,,,,,VQBYRPUVTICJRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.143,278-281-6,75637-30-8,5-acetyl-2-(phenylmethoxy)benzamide,5-acetyl-2-(benzyloxy)benzamide,CC(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)N,CC(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)N,"InChI=1/C16H15NO3/c1-11(18)13-7-8-15(14(9-13)16(17)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)",C16H15NO3,,,,,,NTDLDXWJXHCHAA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.221,253-060-7,36490-27-4,"4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl ethyl carbonate","4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]phenyl ethyl carbonate",CCOC(=O)Oc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,CCOC(=O)Oc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C23H17NO7/c1-2-29-23(28)31-13-9-7-12(8-10-13)30-17-11-16(25)18-19(20(17)24)22(27)15-6-4-3-5-14(15)21(18)26/h3-11,25H,2,24H2,1H3",C23H17NO7,,,,,,QXIBJIXBYGNLRE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.388,254-346-4,39196-18-4,"3,3-dimethyl-1-(methylthio)butanone-O-(N-methylcarbamoyl)oxime",-,CNC(=O)ON=C(CSC)C(C)(C)C,CNC(=O)ON=C(CSC)C(C)(C)C,"InChI=1/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)",C9H18N2O2S,,,,,,FZSVSABTBYGOQH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.389,254-348-5,39199-12-7,"3,3-dimethyl-1-(methylthio)butan-2-one","3,3-dimethyl-1-(methylsulfanyl)butan-2-one",CSCC(=O)C(C)(C)C,CSCC(=O)C(C)(C)C,"InChI=1/C7H14OS/c1-7(2,3)6(8)5-9-4/h5H2,1-4H3",C7H14OS,,,,,,MHHUUPYWCAKNBW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.393,254-352-7,39203-98-0,"[[1,1'-biphenyl]-4,4'-diylbis(oxy-4,1-phenylene)]bis[(2-hydroxyphenyl)] ketone","[biphenyl-4,4'-diylbis(oxy-4,1-phenylene)]bis[(2-hydroxyphenyl)methanone]",Oc1ccccc1C(=O)c2ccc(Oc3ccc(cc3)c4ccc(Oc5ccc(cc5)C(=O)c6ccccc6O)cc4)cc2,Oc1ccccc1C(=O)c2ccc(Oc3ccc(cc3)c4ccc(Oc5ccc(cc5)C(=O)c6ccccc6O)cc4)cc2,"InChI=1/C38H26O6/c39-35-7-3-1-5-33(35)37(41)27-13-21-31(22-14-27)43-29-17-9-25(10-18-29)26-11-19-30(20-12-26)44-32-23-15-28(16-24-32)38(42)34-6-2-4-8-36(34)40/h1-24,39-40H",C38H26O6,,,,,,YHYYAWNRCQDTBV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.396,254-355-3,39206-13-8,2-chloro-6-cyclohexyl-4-nitrophenol,2-chloro-6-cyclohexyl-4-nitrophenol,Oc1c(Cl)cc(cc1C2CCCCC2)[N+](=O)[O-],Oc1c(Cl)cc(cc1C2CCCCC2)[N+](=O)[O-],"InChI=1/C12H14ClNO3/c13-11-7-9(14(16)17)6-10(12(11)15)8-4-2-1-3-5-8/h6-8,15H,1-5H2",C12H14ClNO3,,,,,,HOVSIVIXNWEURQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.401,254-361-6,39219-28-8,Promestriene,"17-methoxy-3-propoxyestra-1,3,5(10)-triene",CCCOc1ccc2[C@H]3CC[C@]4(C)C(CC[C@H]4[C@@H]3CCc2c1)OC,CCCOc1ccc2[C@H]3CC[C@]4(C)C(CC[C@H]4[C@@H]3CCc2c1)OC,"InChI=1/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3",C22H32O2,,,,,,IUWKNLFTJBHTSD-QIKJAYGVSA-N,,,,,,,,,,,
100.049.416,254-377-3,39251-86-0,Hexyl 2-furoate,hexyl 2-furoate,CCCCCCOC(=O)c1occc1,CCCCCCOC(=O)c1occc1,"InChI=1/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3",C11H16O3,,,,,,KMLFVAGUWNPADU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.420,254-382-0,39254-90-5,Methyl (S)-thiazolidine-4-carboxylate,"methyl 1,3-thiazolidine-4-carboxylate",COC(=O)[C@H]1CSCN1,COC(=O)[C@H]1CSCN1,"InChI=1/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3",C5H9NO2S,,,,,,NHBNAVLHRAPNKY-SCSAIBSYSA-N,,,,,,,,,,,
100.049.424,254-386-2,39262-04-9,Thallium(1+) propan-2-olate,thallium(1+) propan-2-olate,[Tl+].CC(C)[O-],[Tl+].CC(C)[O-],"InChI=1/C3H7O.Tl/c1-3(2)4;/h3H,1-2H3;/q-1;+1",C3H8O.Tl,,,,,,XRZWCXPPVXLYPE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.425,254-387-8,39263-32-6,2-amino-5-bromobenzonitrile,2-amino-5-bromobenzonitrile,Nc1ccc(Br)cc1C#N,Nc1ccc(Br)cc1C#N,"InChI=1/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2",C7H5BrN2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18646,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.425,OATYCBHROMXWJO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.428,254-390-4,39265-84-4,Isopropyl heptadecanoate,isopropyl heptadecanoate,CCCCCCCCCCCCCCCCC(=O)OC(C)C,CCCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19(2)3/h19H,4-18H2,1-3H3",C20H40O2,,,,,,JYARKAZTNPOGRN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.585,256-763-7,50789-30-5,"5,5-dimethoxyvaleraldehyde","5,5-dimethoxypentanal",COC(CCCC=O)OC,COC(CCCC=O)OC,"InChI=1/C7H14O3/c1-9-7(10-2)5-3-4-6-8/h6-7H,3-5H2,1-2H3",C7H14O3,,,,,,USXHLNDEUDDSKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.592,256-771-0,50807-15-3,4-(2-cyclohexyl-2-propyl)cyclohexan-1-ol,4-(1-cyclohexyl-1-methylethyl)cyclohexanol,CC(C)(C1CCCCC1)C2CCC(O)CC2,CC(C)(C1CCCCC1)C2CCC(O)CC2,"InChI=1/C15H28O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h12-14,16H,3-11H2,1-2H3",C15H28O,,,,,,SOEDCPFFUZMBNX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.594,256-773-1,50807-41-5,"4,4-dimethyl-2,5-dioxoimidazolidine-1,3-dipropionic acid","3,3'-(4,4-dimethyl-2,5-dioxoimidazolidine-1,3-diyl)dipropanoic acid",CC1(C)N(CCC(=O)O)C(=O)N(CCC(=O)O)C1=O,CC1(C)N(CCC(=O)O)C(=O)N(CCC(=O)O)C1=O,"InChI=1/C11H16N2O6/c1-11(2)9(18)12(5-3-7(14)15)10(19)13(11)6-4-8(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)",C11H16N2O6,,,,,,LQGSKDNLLJIRAI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.615,256-796-7,50846-01-0,2-(2-chloroethyl)-1-methylpiperidine,2-(2-chloroethyl)-1-methylpiperidine,CN1CCCCC1CCCl,CN1CCCCC1CCCl,"InChI=1/C8H16ClN/c1-10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3",C8H16ClN,,,,,,UMYMWCKSANKFPI-UHFFFAOYSA-N,,,,,,,,,,,
100.051.008,256-127-9,43170-88-3,"Diethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate","diethyl N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamate",CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)OCC,CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)OCC,"InChI=1/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)",C24H30N8O5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1748,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.008,MZRRIAJJDAPQRO-KRWDZBQOSA-N,,,,,,,,,,,
100.051.014,256-134-7,43189-45-3,(S)-2-thienylglycine,N-2-thienylglycine,OC(=O)CNc1cccs1,OC(=O)CNc1cccs1,"InChI=1/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)",C6H7NO2S,,,,,,UNQHGXLQKSZYQU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.020,256-141-5,43200-82-4,"6-(5-chloro-2-pyridyl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione","6-(5-chloropyridin-2-yl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione",Clc1ccc(nc1)N2C(=O)c3nccnc3C2=O,Clc1ccc(nc1)N2C(=O)c3nccnc3C2=O,InChI=1/C11H5ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5H,C11H5ClN4O2,,,,,,FFXYIKCDZBXDNR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.023,256-144-1,43208-98-6,"N,N'-bis[iminobis(ethyleneiminoethylene)]bis(dodecanamide)","N-(13-oxo-3,6,9,12-tetraazatetracos-1-yl)dodecanamide (non-preferred name)",CCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCC,"InChI=1/C32H67N5O2/c1-3-5-7-9-11-13-15-17-19-21-31(38)36-29-27-34-25-23-33-24-26-35-28-30-37-32(39)22-20-18-16-14-12-10-8-6-4-2/h33-35H,3-30H2,1-2H3,(H,36,38)(H,37,39)",C32H67N5O2,,,,,,PZAIKEWSUNIUQF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.131,259-564-3,55283-68-6,Ethalfluralin,"N-ethyl-N-(2-methylprop-2-en-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline",CCN(CC(=C)C)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCN(CC(=C)C)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3",C13H14F3N3O4,,,,,,PTFJIKYUEPWBMS-UHFFFAOYSA-N,,,,,,,,,,,
100.054.142,259-576-9,55296-92-9,3-[phenyl(3-phenylpropyl)amino]propiononitrile,3-[phenyl(3-phenylpropyl)amino]propanenitrile,N#CCCN(CCCc1ccccc1)c2ccccc2,N#CCCN(CCCc1ccccc1)c2ccccc2,"InChI=1/C18H20N2/c19-14-8-16-20(18-12-5-2-6-13-18)15-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,15-16H2",C18H20N2,,,,,,QGUBGDBSEFJAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.148,259-583-7,55302-96-0,5-[(2-hydroxyethyl)amino]-o-cresol,5-[(2-hydroxyethyl)amino]-2-methylphenol,Cc1ccc(NCCO)cc1O,Cc1ccc(NCCO)cc1O,"InChI=1/C9H13NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11/h2-3,6,10-12H,4-5H2,1H3",C9H13NO2,,,,,,YGRFRBUGAPOJDU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.157,259-593-1,55327-22-5,"Ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-a-methyl-DL-tyrosinate hydrochloride","ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-alpha-methyl-D-tyrosinate hydrochloride",Cl.CCOC(=O)[C@](C)(N)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,Cl.CCOC(=O)[C@](C)(N)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,"InChI=1/C18H17I4NO4.ClH/c1-3-26-17(25)18(2,23)8-9-4-13(21)16(14(22)5-9)27-10-6-11(19)15(24)12(20)7-10;/h4-7,24H,3,8,23H2,1-2H3;1H",C18H17I4NO4.ClH,,,,,,YKFOTONIBHUPOM-GMUIIQOCSA-N,,,,,,,,,,,
100.054.160,259-596-8,55334-51-5,[4-(methoxycarbonyl)phenyl]methyl methyl terephthalate,4-(methoxycarbonyl)benzyl methyl terephthalate,COC(=O)c1ccc(COC(=O)c2ccc(cc2)C(=O)OC)cc1,COC(=O)c1ccc(COC(=O)c2ccc(cc2)C(=O)OC)cc1,"InChI=1/C18H16O6/c1-22-16(19)13-5-3-12(4-6-13)11-24-18(21)15-9-7-14(8-10-15)17(20)23-2/h3-10H,11H2,1-2H3",C18H16O6,,,,,,ITTJRGPCQAAFGL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.163,259-599-4,55340-66-4,Disodium 2-(phosphonatooxy)acrylate,-,[Na+].[Na+].[O-]C(=O)C(=C)OP(=O)([O-])[O-],[Na+].[Na+].[O-]C(=O)C(=C)OP(=O)([O-])[O-],"InChI=1/C3H5O6P.2Na/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;/q;2*+1/p-3",C3H5O6P.2Na,,,,,,UKHQGAMUTNVPAU-UHFFFAOYSA-K,,,,,,,,,,,
100.054.165,259-601-3,55343-76-5,"Triammonium 5-[(3-carboxylato-4-hydroxy-5-methylphenyl)(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-3-methylbenzoate","triammonium 3,3'-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxy-5-methylbenzoate)",[NH4+].[NH4+].[NH4+].[O-]C(=O)c1cc(cc(C)c1O)C(c2cc(C)c(O)c(c2)C([O-])=O)=C/3/C=C(/C)C(=O)\\C(=C\\3)C([O-])=O,[NH4+].[NH4+].[NH4+].[O-]C(=O)c1cc(cc(C)c1O)C(c2cc(C)c(O)c(c2)C([O-])=O)=C/3/C=C(/C)C(=O)\C(=C\3)C([O-])=O,"InChI=1/C25H20O9.3H3N/c1-10-4-13(7-16(20(10)26)23(29)30)19(14-5-11(2)21(27)17(8-14)24(31)32)15-6-12(3)22(28)18(9-15)25(33)34;;;/h4-9,26-27H,1-3H3,(H,29,30)(H,31,32)(H,33,34);3*1H3",C25H20O9.3H3N,,,,,,BLTURWBZQABFRH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.172,259-609-7,55349-70-7,2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl stearate,2-[(2-hydroxyethyl)(stearoyl)amino]ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)41(35-37-42)36-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-38H2,1-2H3",C40H79NO4,,,,,,ZRWKXALQNLDUSY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.755,254-750-0,40016-42-0,1-(5-nitrothiazol-2-yl)imidazolidine-2-thione,"1-(5-nitro-1,3-thiazol-2-yl)imidazolidine-2-thione",[O-][N+](=O)c1cnc(s1)N2CCNC2=S,[O-][N+](=O)c1cnc(s1)N2CCNC2=S,"InChI=1/C6H6N4O2S2/c11-10(12)4-3-8-6(14-4)9-2-1-7-5(9)13/h3H,1-2H2,(H,7,13)",C6H6N4O2S2,,,,,,ZOFIQVOGCZRBNP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.756,254-751-6,40018-26-6,"1,4-dithiane-2,5-diol","1,4-dithiane-2,5-diol",OC1CSC(O)CS1,OC1CSC(O)CS1,"InChI=1/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2",C4H8O2S2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19050,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.756,YUIOPHXTILULQC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.760,254-755-8,40027-50-7,"N,N-bis(2,3-epoxypropyl)-o-toluidine","2-methyl-N,N-bis(oxiran-2-ylmethyl)aniline",Cc1ccccc1N(CC2CO2)CC3CO3,Cc1ccccc1N(CC2CO2)CC3CO3,"InChI=1/C13H17NO2/c1-10-4-2-3-5-13(10)14(6-11-8-15-11)7-12-9-16-12/h2-5,11-12H,6-9H2,1H3",C13H17NO2,,,,,,OVEUFHOBGCSKSH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.762,254-757-9,40034-41-1,"Ethyl 1,4-dihydro-4-oxo-7-(4-pyridyl)quinoline-3-carboxylate","ethyl 4-oxo-7-pyridin-4-yl-1,4-dihydroquinoline-3-carboxylate",CCOC(=O)C1=CNc2cc(ccc2C1=O)c3ccncc3,CCOC(=O)C1=CNc2cc(ccc2C1=O)c3ccncc3,"InChI=1/C17H14N2O3/c1-2-22-17(21)14-10-19-15-9-12(3-4-13(15)16(14)20)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,19,20)",C17H14N2O3,,,,,,MZESMDMSRBNRBO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.763,254-758-4,40034-42-2,Rosoxacin,"1-ethyl-4-oxo-7-pyridin-4-yl-1,4-dihydroquinoline-3-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2ccc(cc12)c3ccncc3,CCN1C=C(C(=O)O)C(=O)c2ccc(cc12)c3ccncc3,"InChI=1/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)",C17H14N2O3,,,,,,XBPZXDSZHPDXQU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.437,254-400-7,39290-78-3,Aluminum chloride hydroxide sulfate,-,[OH-].[Al+3].[Cl-].[O-]S(=O)(=O)[O-],[OH-].[Al+3].[Cl-].[O-]S(=O)(=O)[O-],"InChI=1/Al.ClH.H2O4S.H2O/c;;1-5(2,3)4;/h;1H;(H2,1,2,3,4);1H2/q+3;;;/p-4",-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15301,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.437,QRKRQLCFUHBBQX-UHFFFAOYSA-J,,,,,,,,,,,
100.049.438,254-401-2,39290-85-2,"Boric acid, copper salt",copper(1+) dihydrogen borate,[Cu+2].[Cu+2].[Cu+2].[O-]B([O-])[O-].[O-]B([O-])[O-],[Cu+2].[Cu+2].[Cu+2].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/2BO3.3Cu/c2*2-1(3)4;;;/q2*-3;3*+2,-,,,,,,CQDTUBLRLRFEJX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.450,254-414-3,39322-78-6,"Phosphoric acid, dodecyl ester, potassium salt",potassium dodecyl hydrogen phosphate,[K+].CCCCCCCCCCCCOP(=O)(O)[O-],[K+].CCCCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C12H27O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5556,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.450,MJHORFXTDAGQEU-UHFFFAOYSA-M,,,,,,,,,,,
100.049.458,254-423-2,39346-74-2,"D-Glucitol, acetate",1-O-acetyl-D-glucitol,CC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C8H16O7/c1-4(10)15-3-6(12)8(14)7(13)5(11)2-9/h5-9,11-14H,2-3H2,1H3",-,,,,,,XEMCIUAYUWMMMF-ULAWRXDQSA-N,,,,,,,,,,,
100.049.479,254-446-8,39416-48-3,Pyridinium tribromide,pyridinium tribromide,[Br-].[Br-].[Br-].c1cc[nH+]cc1.c2cc[nH+]cc2.c3cc[nH+]cc3,[Br-].[Br-].[Br-].c1cc[nH+]cc1.c2cc[nH+]cc2.c3cc[nH+]cc3,InChI=1/3C5H5N.3BrH/c3*1-2-4-6-5-3-1;;;/h3*1-5H;3*1H,C5H5N.Br3H,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17748,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.479,JQRYUMGHOUYJFW-UHFFFAOYSA-N,,,,,,,,,,,
100.076.785,284-494-5,84914-91-0,"Sodium 2-[(1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]naphthalene-1-sulphonate","sodium 2-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]naphthalene-1-sulfonate",[Na+].O=C3/C=C(/C)\\C(\\N=Nc2ccc1ccccc1c2S([O-])(=O)=O)=C(\\O)N3CC,[Na+].O=C3/C=C(/C)\C(\N=Nc2ccc1ccccc1c2S([O-])(=O)=O)=C(\O)N3CC,"InChI=1/C18H17N3O5S.Na/c1-3-21-15(22)10-11(2)16(18(21)23)20-19-14-9-8-12-6-4-5-7-13(12)17(14)27(24,25)26;/h4-10,23H,3H2,1-2H3,(H,24,25,26);/q;+1/p-1",C18H17N3O5S.Na,,,,,,XHRNRARJDZOGPN-UHFFFAOYSA-M,,,,,,,,,,,
100.076.791,284-500-6,84924-86-7,Calcium bis(hydroxydimethylbenzenesulphonate),"calcium bis(2-hydroxy-3,4-dimethylbenzenesulfonate)",[Ca+2].Cc1ccc(c(O)c1C)S(=O)(=O)[O-].Cc2ccc(c(O)c2C)S(=O)(=O)[O-],[Ca+2].Cc1ccc(c(O)c1C)S(=O)(=O)[O-].Cc2ccc(c(O)c2C)S(=O)(=O)[O-],"InChI=1/2C8H10O4S.Ca/c2*1-5-3-4-7(13(10,11)12)8(9)6(5)2;/h2*3-4,9H,1-2H3,(H,10,11,12);/q;;+2/p-2",C8H10O4S.1/2Ca,,,,,,BUDNXGBOQOAFMF-UHFFFAOYSA-L,,,,,,,,,,,
100.076.793,284-502-7,84927-25-3,Trimethyltetradecylammonium hydroxide,"N,N,N-trimethyltetradecan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCC[N+](C)(C)C,[OH-].CCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C17H38N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H2/q+1;/p-1",C17H38N.HO,,,,,,PPNHCZHNVOCMHS-UHFFFAOYSA-M,,,,,,,,,,,
100.071.678,278-868-7,78197-01-0,12-oxo-N-phenyl-12H-phthaloperine-6-sulphonamide,"12-oxo-N-phenyl-12H-isoindolo[2,1-a]perimidine-6-sulfonamide",O=C1N2C(=Nc3c(ccc4cccc2c34)S(=O)(=O)Nc5ccccc5)c6ccccc16,O=C1N2C(=Nc3c(ccc4cccc2c34)S(=O)(=O)Nc5ccccc5)c6ccccc16,"InChI=1/C24H15N3O3S/c28-24-18-11-5-4-10-17(18)23-25-22-20(31(29,30)26-16-8-2-1-3-9-16)14-13-15-7-6-12-19(21(15)22)27(23)24/h1-14,26H",C24H15N3O3S,,,,,,QUIYYCNIFZFAID-UHFFFAOYSA-N,,,,,,,,,,,
100.071.682,278-872-9,78235-79-7,"3-[2-chloro-2-(4-chlorophenyl)vinyl]-2,2-dimethylcyclopropanecarbonyl chloride","3-[2-chloro-2-(4-chlorophenyl)vinyl]-2,2-dimethylcyclopropanecarbonyl chloride",CC1(C)C(\\C=C(/Cl)\\c2ccc(Cl)cc2)C1C(=O)Cl,CC1(C)C(\C=C(/Cl)\c2ccc(Cl)cc2)C1C(=O)Cl,"InChI=1/C14H13Cl3O/c1-14(2)10(12(14)13(17)18)7-11(16)8-3-5-9(15)6-4-8/h3-7,10,12H,1-2H3",C14H13Cl3O,,,,,,BVTBDUMXPYRAKW-XFFZJAGNSA-N,,,,,,,,,,,
100.071.145,278-283-7,75641-00-8,Potassium dihexyl phosphate,potassium dihexyl phosphate,[K+].CCCCCCOP(=O)([O-])OCCCCCC,[K+].CCCCCCOP(=O)([O-])OCCCCCC,"InChI=1/C12H27O4P.K/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+1/p-1",C12H27O4P.K,,,,,,PWDIHJMBELMGND-UHFFFAOYSA-M,,,,,,,,,,,
100.071.146,278-284-2,75641-02-0,"2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-5,12-dihydroquino[2,3-b]acridine-7,14-dione","2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-5,12-dihydroquino[2,3-b]acridine-7,14-dione",O=C1N(Cc2ccc3Nc4cc5C(=O)c6ccccc6Nc5cc4C(=O)c3c2)C(=O)c7ccccc17,O=C1N(Cc2ccc3Nc4cc5C(=O)c6ccccc6Nc5cc4C(=O)c3c2)C(=O)c7ccccc17,"InChI=1/C29H17N3O4/c33-26-18-7-3-4-8-22(18)30-24-13-21-25(12-20(24)26)31-23-10-9-15(11-19(23)27(21)34)14-32-28(35)16-5-1-2-6-17(16)29(32)36/h1-13H,14H2,(H,30,33)(H,31,34)",C29H17N3O4,,,,,,SJIQTGOBEGYKSI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.151,278-290-5,75660-25-2,"4-(phenylazo)benzene-1,3-diamine monoacetate","4-(phenyldiazenyl)benzene-1,3-diamine acetate",CC(O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2,CC(O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2,"InChI=1/C12H12N4.C2H4O2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)",C12H12N4.C2H4O2,,,,,,VKWMKHKYDTTYER-UHFFFAOYSA-N,,,,,,,,,,,
100.071.166,278-306-0,75782-86-4,"Alcohols, C12-13",dodecan-1-ol,CCCCCCCCCCCCO,CCCCCCCCCCCCO,"InChI=1/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2077,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.166,LQZZUXJYWNFBMV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.167,278-307-6,75783-06-1,"4,4-diphenyl-6-piperidin-1-ylheptan-3-one hydrochloride","4,4-diphenyl-6-piperidin-1-ylheptan-3-one hydrochloride",Cl.CCC(=O)C(CC(C)N1CCCCC1)(c2ccccc2)c3ccccc3,Cl.CCC(=O)C(CC(C)N1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H",C24H31NO.ClH,,,,,,DTXPDSQEMZRBBG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.171,278-311-8,75790-83-9,5-[(4-aminophenyl)methyl]-o-toluidine,5-(4-aminobenzyl)-2-methylaniline,Cc1ccc(Cc2ccc(N)cc2)cc1N,Cc1ccc(Cc2ccc(N)cc2)cc1N,"InChI=1/C14H16N2/c1-10-2-3-12(9-14(10)16)8-11-4-6-13(15)7-5-11/h2-7,9H,8,15-16H2,1H3",C14H16N2,,,,,,ZZWIUWXGJRSQIR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.368,278-527-2,76704-28-4,(1S-cis)-2-methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate,5-isopropenyl-2-methylcyclohex-2-en-1-yl acetate,CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,"InChI=1/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3",C12H18O2,,,,,,YTHRBOFHFYZBRJ-RYUDHWBXSA-N,,,,,,,,,,,
100.073.004,280-328-0,83249-60-9,Calcium 2-[(2-hydroxy-6-sulphonato-1-naphthyl)azo]naphthalenesulphonate,calcium 2-[(2-hydroxy-6-sulfonato-1-naphthyl)diazenyl]naphthalene-1-sulfonate,[Ca+2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O,[Ca+2].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O,"InChI=1/C20H14N2O7S2.Ca/c23-18-10-6-13-11-14(30(24,25)26)7-8-15(13)19(18)22-21-17-9-5-12-3-1-2-4-16(12)20(17)31(27,28)29;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2",C20H14N2O7S2.Ca,,,,,,ONPJOMROUFBQOP-UHFFFAOYSA-L,,,,,,,,,,,
100.073.005,280-329-6,83249-61-0,Sodium 2-[(1-oxooctadec-9-enyl)amino]ethyl phthalate,sodium 2-{[2-(oleoylamino)ethoxy]carbonyl}benzoate,[Na+].O=C(OCCNC(=O)CCCCCCCC=CCCCCCCCC)c1ccccc1C([O-])=O,[Na+].O=C(OCCNC(=O)CCCCCCCC=CCCCCCCCC)c1ccccc1C([O-])=O,"InChI=1/C28H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(30)29-22-23-34-28(33)25-20-18-17-19-24(25)27(31)32;/h9-10,17-20H,2-8,11-16,21-23H2,1H3,(H,29,30)(H,31,32);/q;+1/p-1",C28H43NO5.Na,,,,,,PHDOFDUDTZUIMM-UHFFFAOYSA-M,,,,,,,,,,,
100.073.215,280-559-7,83711-61-9,N-acetyl-N-(4-oxo-2-thioxo-5-thiazolidinyl)acetamide,"N-acetyl-N-(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetamide",CC(=O)N(C1SC(=S)NC1=O)C(=O)C,CC(=O)N(C1SC(=S)NC1=O)C(=O)C,"InChI=1/C7H8N2O3S2/c1-3(10)9(4(2)11)6-5(12)8-7(13)14-6/h6H,1-2H3,(H,8,12,13)",C7H8N2O3S2,,,,,,ILYHJTNWSDVJNA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.220,280-564-4,83721-35-1,"5,5'-(but-2-ene-1,4-diyl)bis-1H-tetrazole","5,5'-but-2-ene-1,4-diylbis(1H-tetrazole)",C(/C=C/CC=1NN=NN=1)C=2NN=NN=2,C(/C=C/CC=1NN=NN=1)C=2NN=NN=2,"InChI=1/C6H8N8/c1(3-5-7-11-12-8-5)2-4-6-9-13-14-10-6/h1-2H,3-4H2,(H,7,8,11,12)(H,9,10,13,14)",C6H8N8,,,,,,HFEJGPOJWWISRP-OWOJBTEDSA-N,,,,,,,,,,,
100.073.237,280-583-8,83721-57-7,Ammonium sodium 6-amino-4-hydroxy-5-[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2-sulphonate,ammonium sodium 6-amino-4-hydroxy-5-[(4-nitro-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[NH4+].[Na+].[O-][N+](=O)c3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,[NH4+].[Na+].[O-][N+](=O)c3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,"InChI=1/C16H12N4O9S2.H3N.Na/c17-11-3-1-8-5-10(30(24,25)26)7-13(21)15(8)16(11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);1H3;/q;;+1/p-1",C16H12N4O9S2.xH3N.xNa,,,,,,SIKPXUBISMHSBC-UHFFFAOYSA-M,,,,,,,,,,,
100.075.117,282-655-4,84282-10-0,"2'-(2,4-dichlorobenzoyl)-1-naphthohydrazide","N'-(2,4-dichlorobenzoyl)-1-naphthohydrazide",Clc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)c(Cl)c1,Clc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)c(Cl)c1,"InChI=1/C18H12Cl2N2O2/c19-12-8-9-15(16(20)10-12)18(24)22-21-17(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,21,23)(H,22,24)",C18H12Cl2N2O2,,,,,,DHOBCUSQSGBXCT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.617,256-798-8,50849-47-3,5-nonylsalicylaldehyde oxime,2-hydroxy-5-nonylbenzaldehyde oxime,CCCCCCCCCc1ccc(O)c(\\C=N\\O)c1,CCCCCCCCCc1ccc(O)c(\C=N\O)c1,"InChI=1/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17-19/h10-13,18-19H,2-9H2,1H3",C16H25NO2,,,,,,MJUVQSGLWOGIOB-GHRIWEEISA-N,,,,,,,,,,,
100.051.618,256-799-3,50850-26-5,"1,5-diacetyloctahydro-3,7-dinitro-1,3,5,7-tetrazocine","1,5-diacetyl-3,7-dinitro-1,3,5,7-tetrazocane",CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])C(=O)C)[N+](=O)[O-],CC(=O)N1CN(CN(CN(C1)[N+](=O)[O-])C(=O)C)[N+](=O)[O-],"InChI=1/C8H14N6O6/c1-7(15)9-3-11(13(17)18)5-10(8(2)16)6-12(4-9)14(19)20/h3-6H2,1-2H3",C8H14N6O6,,,,,,KFZNAQUHJDVURZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.620,256-801-2,50850-92-5,6-(methylthio)benzothiazol-2-amine,"6-(methylsulfanyl)-1,3-benzothiazol-2-amine",CSc1ccc2nc(N)sc2c1,CSc1ccc2nc(N)sc2c1,"InChI=1/C8H8N2S2/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)",C8H8N2S2,,,,,,GOZAEIXYKHDTMD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.125,259-558-0,55264-32-9,N-sec-butyl-D-gluconamide,"N-sec-butyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCC(C)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCC(C)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C10H21NO6/c1-3-5(2)11-10(17)9(16)8(15)7(14)6(13)4-12/h5-9,12-16H,3-4H2,1-2H3,(H,11,17)",C10H21NO6,,,,,,ICMIHTLTWWCGHN-FLNDETTGSA-N,,,,,,,,,,,
100.054.126,259-559-6,55268-74-1,Praziquantel,"2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one",O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2,O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2,"InChI=1/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2",C19H24N2O2,,,,,,FSVJFNAIGNNGKK-UHFFFAOYSA-N,Positive,AU220201|AU220202|AU220203|AU220204|AU220205;EQ327201|EQ327202|EQ327203|EQ327204|EQ327205|EQ327206,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,313.1938:314.1966:203.1193|203.1192:313.1931:204.122|203.1191:174.0922:132.0812|174.0921:132.0811:203.1188|132.0811:174.0921:146.0967;313.1909:203.1177:83.0853|203.1176:83.0855:313.1908|83.0855:203.1177:174.0913|83.0855:174.0913:132.0807|83.0855:132.0808:174.0913|132.0807:83.0855:129.0698,Athens_Univ;Eawag,,,,,
100.054.128,259-561-7,55275-61-1,a-(aminomethyl)-4-methoxybenzyl alcohol,2-amino-1-(4-methoxyphenyl)ethanol,COc1ccc(cc1)C(O)CN,COc1ccc(cc1)C(O)CN,"InChI=1/C9H13NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6,10H2,1H3",C9H13NO2,,,,,,LQEPONWCAMNCOY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.130,259-563-8,55281-26-0,"3-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile","3-[{4-[(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile",Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O,Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O,"InChI=1/C17H15Br2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3",C17H15Br2N5O2,,,,,,MWMJPPMTXZJLIK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.634,259-016-3,54179-10-1,"4-amino-2,5-dimethoxybenzenesulphonamide","4-amino-2,5-dimethoxybenzenesulfonamide",COc1cc(c(OC)cc1N)S(=O)(=O)N,COc1cc(c(OC)cc1N)S(=O)(=O)N,"InChI=1/C8H12N2O4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,9H2,1-2H3,(H2,10,11,12)",C8H12N2O4S,,,,,,XUEVFQRBADJXLR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.642,259-025-2,54200-50-9,"[1R-(1a,4aß,4ba,10aa)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol acetate","abieta-7,13-dien-19-yl acetate",CC(C)C1=CC2=CCC3C(C)(COC(=O)C)CCCC3(C)C2CC1,CC(C)C1=CC2=CCC3C(C)(COC(=O)C)CCCC3(C)C2CC1,"InChI=1/C22H34O2/c1-15(2)17-7-9-19-18(13-17)8-10-20-21(4,14-24-16(3)23)11-6-12-22(19,20)5/h8,13,15,19-20H,6-7,9-12,14H2,1-5H3",C22H34O2,,,,,,JVRVYQYYINXFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.647,259-031-5,54223-07-3,"Bis(1-aminoimidazolidine-2,4-dione) sulphate","1-aminoimidazolidine-2,4-dione sulfate (2:1)",NN1CC(=O)NC1=O.NN2CC(=O)NC2=O.OS(=O)(=O)O,NN1CC(=O)NC1=O.NN2CC(=O)NC2=O.OS(=O)(=O)O,"InChI=1/2C3H5N3O2.H2O4S/c2*4-6-1-2(7)5-3(6)8;1-5(2,3)4/h2*1,4H2,(H,5,7,8);(H2,1,2,3,4)",C3H5N3O2.1/2H2O4S,,,,,,CZOPGEVZAVYYCM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.661,259-046-7,54256-43-8,4-decylbenzoyl chloride,4-decylbenzoyl chloride,CCCCCCCCCCc1ccc(cc1)C(=O)Cl,CCCCCCCCCCc1ccc(cc1)C(=O)Cl,"InChI=1/C17H25ClO/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19/h11-14H,2-10H2,1H3",C17H25ClO,,,,,,HEWLDHSFOQXCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.663,259-048-8,54261-67-5,Zinc bis[bis(dodecylphenyl)] bis(dithiophosphate),"zinc bis[O,O-bis(4-dodecylphenyl) dithiophosphate]",[Zn+2].CCCCCCCCCCCCc1ccc(OP(=S)([S-])Oc2ccc(CCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCc3ccc(OP(=S)([S-])Oc4ccc(CCCCCCCCCCCC)cc4)cc3,[Zn+2].CCCCCCCCCCCCc1ccc(OP(=S)([S-])Oc2ccc(CCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCc3ccc(OP(=S)([S-])Oc4ccc(CCCCCCCCCCCC)cc4)cc3,"InChI=1/2C36H59O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17-19-21-23-33-25-29-35(30-26-33)37-39(40,41)38-36-31-27-34(28-32-36)24-22-20-18-16-14-12-10-8-6-4-2;/h2*25-32H,3-24H2,1-2H3,(H,40,41);/q;;+2/p-2",C36H59O2PS2.1/2Zn,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12713,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.663,BQGHVUIRQKWVEJ-UHFFFAOYSA-L,,,,,,,,,,,
100.053.668,259-054-0,54268-66-5,"2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-{2-[4-(dimethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CN(C)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,[Cl-].CN(C)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C21H25N2.ClH/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;/h6-15H,1-5H3;1H/q+1;/p-1",C21H25N2.Cl,,,,,,OSZUKLZZXWAXEW-UHFFFAOYSA-M,,,,,,,,,,,
100.048.222,253-061-2,36493-04-6,"9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione mono(hydrogen sulphate)","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hydrogen sulfate",CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COS(=O)(=O)O,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COS(=O)(=O)O,"InChI=1/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)",C22H29FO8S,,,,,,URGVZGFGWFYRGP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.673,259-059-8,54274-15-6,"4-amino-3-[[4-[[[4-[(8-amino-1-hydroxy-5-sulpho-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonic acid","4-amino-3-{[4-({4-[(8-amino-1-hydroxy-5-sulfo-2-naphthyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",OS(=O)(=O)c7ccc(N)c6c7ccc(N=Nc1ccc(cc1)NC(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S(O)(=O)=O)cc(c(N=Nc4ccccc4)c5O)S(O)(=O)=O)c6O,OS(=O)(=O)c7ccc(N)c6c7ccc(N=Nc1ccc(cc1)NC(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S(O)(=O)=O)cc(c(N=Nc4ccccc4)c5O)S(O)(=O)=O)c6O,"InChI=1/C39H29N9O12S3/c40-27-15-17-29(61(52,53)54)26-14-16-28(37(49)33(26)27)46-43-25-12-10-22(11-13-25)42-39(51)20-6-8-24(9-7-20)45-47-35-30(62(55,56)57)18-21-19-31(63(58,59)60)36(38(50)32(21)34(35)41)48-44-23-4-2-1-3-5-23/h1-19,49-50H,40-41H2,(H,42,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)",C39H29N9O12S3,,,,,,OFYAGCHKKIEWTB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.682,259-069-2,54289-82-6,"3,3'-oxybisbutan-1-ol","3,3'-oxydibutan-1-ol",CC(CCO)OC(C)CCO,CC(CCO)OC(C)CCO,"InChI=1/C8H18O3/c1-7(3-5-9)11-8(2)4-6-10/h7-10H,3-6H2,1-2H3",C8H18O3,,,,,,ZIYSJVFROIOYRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.692,259-080-2,54300-33-3,Bis(p-chlorophenyl)phenylphosphine oxide,bis(4-chlorophenyl)(phenyl)phosphine oxide,Clc1ccc(cc1)P(=O)(c2ccccc2)c3ccc(Cl)cc3,Clc1ccc(cc1)P(=O)(c2ccccc2)c3ccc(Cl)cc3,"InChI=1/C18H13Cl2OP/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H",C18H13Cl2OP,,,,,,FOIPESFJJNAWLG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.701,259-090-7,54307-21-0,p-[[3-methyl-4-[[4-[2-(sulphooxy)ethoxy]phenyl]azo]phenyl]azo]phenol,2-[4-({4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl}diazenyl)phenoxy]ethyl hydrogen sulfate,Oc1ccc(cc1)N=Nc3ccc(N=Nc2ccc(OCCOS(O)(=O)=O)cc2)c(C)c3,Oc1ccc(cc1)N=Nc3ccc(N=Nc2ccc(OCCOS(O)(=O)=O)cc2)c(C)c3,"InChI=1/C21H20N4O6S/c1-15-14-18(24-22-16-2-7-19(26)8-3-16)6-11-21(15)25-23-17-4-9-20(10-5-17)30-12-13-31-32(27,28)29/h2-11,14,26H,12-13H2,1H3,(H,27,28,29)",C21H20N4O6S,,,,,,UMHKKJXQNFBYPT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.707,259-097-5,54322-33-7,Methanetrisulphonic acid,methanetrisulfonic acid,OS(=O)(=O)C(S(=O)(=O)O)S(=O)(=O)O,OS(=O)(=O)C(S(=O)(=O)O)S(=O)(=O)O,"InChI=1/CH4O9S3/c2-11(3,4)1(12(5,6)7)13(8,9)10/h1H,(H,2,3,4)(H,5,6,7)(H,8,9,10)",CH4O9S3,,,,,,NARPMWPOFWHFDX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.712,259-103-6,54324-65-1,Disodium hexadecenylsuccinate,disodium 2-hexadec-1-en-1-ylsuccinate,[Na+].[Na+].[O-]C(=O)CC(C=CCCCCCCCCCCCCCC)C([O-])=O,[Na+].[Na+].[O-]C(=O)CC(C=CCCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C20H36O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;;/h15-16,18H,2-14,17H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2",C20H36O4.2Na,,,,,,PJMUCUJZVMMEBK-UHFFFAOYSA-L,,,,,,,,,,,
100.049.770,254-766-8,40034-52-4,"Diethyl [[[3-(2,6-dimethyl-4-pyridyl)phenyl]amino]methylene]malonate","diethyl ({[3-(2,6-dimethylpyridin-4-yl)phenyl]amino}methylene)malonate",CCOC(=O)C(=CNc1cccc(c1)c2cc(C)nc(C)c2)C(=O)OCC,CCOC(=O)C(=CNc1cccc(c1)c2cc(C)nc(C)c2)C(=O)OCC,"InChI=1/C21H24N2O4/c1-5-26-20(24)19(21(25)27-6-2)13-22-18-9-7-8-16(12-18)17-10-14(3)23-15(4)11-17/h7-13,22H,5-6H2,1-4H3",C21H24N2O4,,,,,,IECGKVGDOKQIHS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.776,254-773-6,40043-26-3,"N-ethylhexane-1,6-diamine","N-ethylhexane-1,6-diamine",CCNCCCCCCN,CCNCCCCCCN,"InChI=1/C8H20N2/c1-2-10-8-6-4-3-5-7-9/h10H,2-9H2,1H3",C8H20N2,,,,,,GODRGSBJTFNCPC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.783,254-780-4,40070-59-5,"4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[3-bromo-2,5-dimethylphenol] S,S-dioxide","4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3-bromo-2,5-dimethylphenol)",Cc1cc(O)c(C)c(Br)c1C2(OS(=O)(=O)c3ccccc23)c4c(C)cc(O)c(C)c4Br,Cc1cc(O)c(C)c(Br)c1C2(OS(=O)(=O)c3ccccc23)c4c(C)cc(O)c(C)c4Br,"InChI=1/C23H20Br2O5S/c1-11-9-16(26)13(3)21(24)19(11)23(20-12(2)10-17(27)14(4)22(20)25)15-7-5-6-8-18(15)31(28,29)30-23/h5-10,26-27H,1-4H3",C23H20Br2O5S,,,,,,UPGCKQSJVVNCRM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.786,254-784-6,40074-68-8,"8-benzyl-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","8-benzyl-7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",CCCCCCCCN1C(=O)NC2(CC(C)(C)N(Cc3ccccc3)C(C)(C)C2)C1=O,CCCCCCCCN1C(=O)NC2(CC(C)(C)N(Cc3ccccc3)C(C)(C)C2)C1=O,"InChI=1/C26H41N3O2/c1-6-7-8-9-10-14-17-28-22(30)26(27-23(28)31)19-24(2,3)29(25(4,5)20-26)18-21-15-12-11-13-16-21/h11-13,15-16H,6-10,14,17-20H2,1-5H3,(H,27,31)",C26H41N3O2,,,,,,WBDYFYYVULBFHX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.790,254-788-8,40088-48-0,"Toluene, dibromo derivative","1,2-dibromo-3-methylbenzene",Cc1cccc(Br)c1Br,Cc1cccc(Br)c1Br,"InChI=1/C7H6Br2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3",C7H6Br2,,,,,,LUIVNNXFXHFZFD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.791,254-789-3,40098-44-0,Ethyl 5-oxocyclopent-1-ene-1-heptanoate,ethyl 7-(5-oxocyclopent-1-en-1-yl)heptanoate,CCOC(=O)CCCCCCC1=CCCC1=O,CCOC(=O)CCCCCCC1=CCCC1=O,"InChI=1/C14H22O3/c1-2-17-14(16)11-6-4-3-5-8-12-9-7-10-13(12)15/h9H,2-8,10-11H2,1H3",C14H22O3,,,,,,OXWBFQQAUHFTHT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.796,254-795-6,40119-17-3,"(3,4-dimethoxyphenyl)hydrazine monohydrochloride","(3,4-dimethoxyphenyl)hydrazine hydrochloride",Cl.COc1ccc(NN)cc1OC,Cl.COc1ccc(NN)cc1OC,"InChI=1/C8H12N2O2.ClH/c1-11-7-4-3-6(10-9)5-8(7)12-2;/h3-5,10H,9H2,1-2H3;1H",C8H12N2O2.ClH,,,,,,HRSRMSMAVYUKRC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.798,254-797-7,40124-27-4,"2-bromo-N,N-dibutylacetamide","2-bromo-N,N-dibutylacetamide",CCCCN(CCCC)C(=O)CBr,CCCCN(CCCC)C(=O)CBr,"InChI=1/C10H20BrNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3",C10H20BrNO,,,,,,UQISDSAIAARTPX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.685,278-876-0,78265-88-0,"2,2'-[(2,4-dihydroxy-1,3-phenylene)bis(azo-4,1-phenyleneimino)]bis(5-nitrobenzenesulphonic) acid","2,2'-[(2,4-dihydroxy-1,3-phenylene)bis(diazene-2,1-diyl-4,1-phenyleneimino)]bis(5-nitrobenzenesulfonic acid)",Oc3c(ccc(O)c3N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)N=Nc5ccc(Nc4ccc(cc4S(O)(=O)=O)[N+]([O-])=O)cc5,Oc3c(ccc(O)c3N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)N=Nc5ccc(Nc4ccc(cc4S(O)(=O)=O)[N+]([O-])=O)cc5,"InChI=1/C30H22N8O12S2/c39-26-14-13-25(35-33-19-5-1-17(2-6-19)31-23-11-9-21(37(41)42)15-27(23)51(45,46)47)30(40)29(26)36-34-20-7-3-18(4-8-20)32-24-12-10-22(38(43)44)16-28(24)52(48,49)50/h1-16,31-32,39-40H,(H,45,46,47)(H,48,49,50)",C30H22N8O12S2,,,,,,PRTJMBOYQRLTOD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.701,278-893-3,78306-53-3,N-(3-carboxy-1-oxopropyl)-DL-methionine,N-(3-carboxypropanoyl)-L-methionine,CSCC[C@H](NC(=O)CCC(=O)O)C(=O)O,CSCC[C@H](NC(=O)CCC(=O)O)C(=O)O,"InChI=1/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)",C9H15NO5S,,,,,,CZFFMUMOBDIXJU-LURJTMIESA-N,,,,,,,,,,,
100.071.705,278-898-0,78333-60-5,"Methyl 2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylate","methyl 2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindane-5-carboxylate",COC(=O)c1ccc2C(=O)C(C(=O)c2c1)c3nc4ccccc4cc3O,COC(=O)c1ccc2C(=O)C(C(=O)c2c1)c3nc4ccccc4cc3O,"InChI=1/C20H13NO5/c1-26-20(25)11-6-7-12-13(8-11)19(24)16(18(12)23)17-15(22)9-10-4-2-3-5-14(10)21-17/h2-9,16,22H,1H3",C20H13NO5,,,,,,SBUMJOJXIRIWBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.709,278-903-6,78415-72-2,Milrinone,"2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile",CC1=C(C=C(C#N)C(=O)N1)c2ccncc2,CC1=C(C=C(C#N)C(=O)N1)c2ccncc2,"InChI=1/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)",C12H9N3O,,,,,,PZRHRDRVRGEVNW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.714,278-908-3,78430-44-1,"Octahydropentalene-1,2-diol","octahydropentalene-1,2-diol",OC1CC2CCCC2C1O,OC1CC2CCCC2C1O,"InChI=1/C8H14O2/c9-7-4-5-2-1-3-6(5)8(7)10/h5-10H,1-4H2",C8H14O2,,,,,,RVTNKLDREGTHJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.984,280-306-0,83249-37-0,"Disodium 3,3'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(5-amino-3-methyl-1H-pyrazole-4,1-diyl)]]bis[benzenesulphonate]","disodium 3,3'-{(2,2'-dichlorobiphenyl-4,4'-diyl)bis[diazene-2,1-diyl(5-amino-3-methyl-1H-pyrazole-4,1-diyl)]}dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)n6nc(C)c(N=Nc2ccc(c(Cl)c2)c3ccc(cc3Cl)N=Nc5c(C)nn(c4cc(ccc4)S([O-])(=O)=O)c5N)c6N,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)n6nc(C)c(N=Nc2ccc(c(Cl)c2)c3ccc(cc3Cl)N=Nc5c(C)nn(c4cc(ccc4)S([O-])(=O)=O)c5N)c6N,"InChI=1/C32H26Cl2N10O6S2.2Na/c1-17-29(31(35)43(41-17)21-5-3-7-23(15-21)51(45,46)47)39-37-19-9-11-25(27(33)13-19)26-12-10-20(14-28(26)34)38-40-30-18(2)42-44(32(30)36)22-6-4-8-24(16-22)52(48,49)50;;/h3-16H,35-36H2,1-2H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C32H26Cl2N10O6S2.2Na,,,,,,CBXRMWQMBBPCHJ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.996,280-319-1,83249-49-4,3-bromo-2-[[4-(diethylamino)-o-tolyl]azo]-5-methylbenzonitrile,3-bromo-2-{[4-(diethylamino)-2-methylphenyl]diazenyl}-5-methylbenzonitrile,Brc2cc(C)cc(C#N)c2N=Nc1ccc(cc1C)N(CC)CC,Brc2cc(C)cc(C#N)c2N=Nc1ccc(cc1C)N(CC)CC,"InChI=1/C19H21BrN4/c1-5-24(6-2)16-7-8-18(14(4)11-16)22-23-19-15(12-21)9-13(3)10-17(19)20/h7-11H,5-6H2,1-4H3",C19H21BrN4,,,,,,PXONGEDHJMHZGT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.998,280-321-2,83249-51-8,"2-[4-[(2-chloro-4-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]ethyl (3,4-dichlorophenyl)carbamate","2-{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}ethyl (3,4-dichlorophenyl)carbamate",[O-][N+](=O)c3ccc(N=NC2C(\\C)=N/N(CCOC(=O)Nc1ccc(Cl)c(Cl)c1)C2=O)c(Cl)c3,[O-][N+](=O)c3ccc(N=NC2C(\C)=N/N(CCOC(=O)Nc1ccc(Cl)c(Cl)c1)C2=O)c(Cl)c3,"InChI=1/C19H15Cl3N6O5/c1-10-17(25-24-16-5-3-12(28(31)32)9-15(16)22)18(29)27(26-10)6-7-33-19(30)23-11-2-4-13(20)14(21)8-11/h2-5,8-9,17H,6-7H2,1H3,(H,23,30)",C19H15Cl3N6O5,,,,,,DVXXSTYDEFYGNU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.625,282-113-7,84100-32-3,"Sodium 2-amino-6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]toluene-4-sulphonate","sodium 3-amino-5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-methylbenzenesulfonate",[Na+].Cc1c(N)cc(cc1Nc2nc(F)nc(F)c2Cl)S(=O)(=O)[O-],[Na+].Cc1c(N)cc(cc1Nc2nc(F)nc(F)c2Cl)S(=O)(=O)[O-],"InChI=1/C11H9ClF2N4O3S.Na/c1-4-6(15)2-5(22(19,20)21)3-7(4)16-10-8(12)9(13)17-11(14)18-10;/h2-3H,15H2,1H3,(H,16,17,18)(H,19,20,21);/q;+1/p-1",C11H9ClF2N4O3S.Na,,,,,,MFCDEHPQPKZEKI-UHFFFAOYSA-M,,,,,,,,,,,
100.074.634,282-123-1,84100-44-7,"Ammonium hydrogen 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulphonatophenyl]sulphonyl]salicylate","ammonium hydrogen 5-[(2-{4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-sulfonatophenyl)sulfonyl]-2-hydroxybenzoate",[H+].[NH4+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2N4/N=C(/C)C(=Cc3ccc(cc3)N(C)C)C4=O)S([O-])(=O)=O,[H+].[NH4+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2N4/N=C(/C)C(=Cc3ccc(cc3)N(C)C)C4=O)S([O-])(=O)=O,"InChI=1/C26H23N3O9S2.H3N.H2/c1-15-20(12-16-4-6-17(7-5-16)28(2)3)25(31)29(27-15)22-14-19(40(36,37)38)9-11-24(22)39(34,35)18-8-10-23(30)21(13-18)26(32)33;;/h4-14,30H,1-3H3,(H,32,33)(H,36,37,38);1H3;1H/q;;+1/p-1",C26H23N3O9S2.H3N,,,,,,CIUWFJUMPZKLMA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.641,282-131-5,84100-51-6,4-(methylamino)piperidine-4-carboxamide,4-(methylamino)piperidine-4-carboxamide,CNC1(CCNCC1)C(=O)N,CNC1(CCNCC1)C(=O)N,"InChI=1/C7H15N3O/c1-9-7(6(8)11)2-4-10-5-3-7/h9-10H,2-5H2,1H3,(H2,8,11)",C7H15N3O,,,,,,FWHRLKTXFMRLDV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.632,285-425-1,85098-73-3,Methyl [2-[(2-chloroethyl)aminocarbonyl]phenyl]carbamate,methyl {2-[(2-chloroethyl)carbamoyl]phenyl}carbamate,COC(=O)Nc1ccccc1C(=O)NCCCl,COC(=O)Nc1ccccc1C(=O)NCCCl,"InChI=1/C11H13ClN2O3/c1-17-11(16)14-9-5-3-2-4-8(9)10(15)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)",C11H13ClN2O3,,,,,,JWVQGOOQLBZENQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.634,285-427-2,85098-75-5,Methyl 4-cyano-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate,methyl 4-cyano-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate,COC(=O)N1CCC(CC1)(Nc2ccc(F)cc2)C#N,COC(=O)N1CCC(CC1)(Nc2ccc(F)cc2)C#N,"InChI=1/C14H16FN3O2/c1-20-13(19)18-8-6-14(10-16,7-9-18)17-12-4-2-11(15)3-5-12/h2-5,17H,6-9H2,1H3",C14H16FN3O2,,,,,,JDDRRUBKMLAPOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.638,285-431-4,85098-79-9,"2-(2-methylhexyl)-1,3-dioxolane","2-(2-methylhexyl)-1,3-dioxolane",CCCCC(C)CC1OCCO1,CCCCC(C)CC1OCCO1,"InChI=1/C10H20O2/c1-3-4-5-9(2)8-10-11-6-7-12-10/h9-10H,3-8H2,1-2H3",C10H20O2,,,,,,ZFHUCYSXTQCMMB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.639,285-433-5,85098-80-2,"2-(4,6-dimethyl-3-cyclohexen-1-yl)-1,3-dioxolane","2-(4,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane",CC1CC(=CCC1C2OCCO2)C,CC1CC(=CCC1C2OCCO2)C,"InChI=1/C11H18O2/c1-8-3-4-10(9(2)7-8)11-12-5-6-13-11/h3,9-11H,4-7H2,1-2H3",C11H18O2,,,,,,BXFGKPXLIYETAH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.186,278-328-0,75858-92-3,"Methyl 2,4-dioxovalerate, monosodium salt",-,[Na+].COC(=O)C(=O)CC(=O)C,[Na+].COC(=O)C(=O)CC(=O)C,"InChI=1/C6H8O4.Na/c1-4(7)3-5(8)6(9)10-2;/h3H2,1-2H3;/q;+1",C6H7O4.Na,,,,,,PUHWXBMLBAWIRO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.192,278-334-3,75885-58-4,"(S)-2,2-dimethylcyclopropanecarboxamide","2,2-dimethylcyclopropanecarboxamide",CC1(C)C[C@@H]1C(=O)N,CC1(C)C[C@@H]1C(=O)N,"InChI=1/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)",C6H11NO,,,,,,YBZQRYWKYBZZNT-SCSAIBSYSA-N,,,,,,,,,,,
100.071.194,278-336-4,75890-68-5,2-formamidothiazol-4-acetic acid,"(2-formamido-1,3-thiazol-4-yl)acetic acid",OC(=O)Cc1csc(NC=O)n1,OC(=O)Cc1csc(NC=O)n1,"InChI=1/C6H6N2O3S/c9-3-7-6-8-4(2-12-6)1-5(10)11/h2-3H,1H2,(H,10,11)(H,7,8,9)",C6H6N2O3S,,,,,,MXBRIEOXXKWWCE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.195,278-338-5,75902-86-2,4-[[4-(diethylamino)phenyl]azo]-1-[(4-nitrophenyl)methyl]pyridinium bromide,4-{[4-(diethylamino)phenyl]diazenyl}-1-(4-nitrobenzyl)pyridinium bromide,[Br-].[O-][N+](=O)c1ccc(cc1)C[n+]3ccc(N=Nc2ccc(cc2)N(CC)CC)cc3,[Br-].[O-][N+](=O)c1ccc(cc1)C[n+]3ccc(N=Nc2ccc(cc2)N(CC)CC)cc3,"InChI=1/C22H24N5O2.BrH/c1-3-26(4-2)21-11-7-19(8-12-21)23-24-20-13-15-25(16-14-20)17-18-5-9-22(10-6-18)27(28)29;/h5-16H,3-4,17H2,1-2H3;1H/q+1;/p-1",C22H24N5O2.Br,,,,,,SYSMUNIWXNOGPA-UHFFFAOYSA-M,,,,,,,,,,,
100.071.198,278-341-1,75908-83-7,"Dipotassium oxybis[(1,1,3,3-tetramethylbutyl)benzenesulphonate]","dipotassium 3,3'-oxybis[2-(1,1,3,3-tetramethylbutyl)benzenesulfonate]",[K+].[K+].CC(C)(C)CC(C)(C)c1c(Oc2cccc(c2C(C)(C)CC(C)(C)C)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],[K+].[K+].CC(C)(C)CC(C)(C)c1c(Oc2cccc(c2C(C)(C)CC(C)(C)C)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],"InChI=1/C28H42O7S2.2K/c1-25(2,3)17-27(7,8)23-19(13-11-15-21(23)36(29,30)31)35-20-14-12-16-22(37(32,33)34)24(20)28(9,10)18-26(4,5)6;;/h11-16H,17-18H2,1-10H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C28H42O7S2.2K,,,,,,CSUZQJZQOMWDTR-UHFFFAOYSA-L,,,,,,,,,,,
100.071.213,278-357-9,76002-91-0,"3-[4-[1-[4-(2,3-epoxypropoxy)phenyl]-1-methylethyl]phenoxy]propane-1,2-diol","3-(4-{1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl}phenoxy)propane-1,2-diol",CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC3CO3)cc2,CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC3CO3)cc2,"InChI=1/C21H26O5/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,22-23H,11-14H2,1-2H3",C21H26O5,,,,,,NBLIPZBCGXIEFO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.217,278-362-6,76019-91-5,<U+03B3>-methylcyclohexanepropanol,3-cyclohexylbutan-1-ol,CC(CCO)C1CCCCC1,CC(CCO)C1CCCCC1,"InChI=1/C10H20O/c1-9(7-8-11)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3",C10H20O,,,,,,XHKHXJPTSALKON-UHFFFAOYSA-N,,,,,,,,,,,
100.071.218,278-363-1,76020-62-7,N-(2-aminoethyl)-N-[2-(4-vinylphenyl)ethyl]ethylenediamine,"N-(2-aminoethyl)-N-[2-(4-vinylphenyl)ethyl]ethane-1,2-diamine",NCCN(CCN)CCc1ccc(C=C)cc1,NCCN(CCN)CCc1ccc(C=C)cc1,"InChI=1/C14H23N3/c1-2-13-3-5-14(6-4-13)7-10-17(11-8-15)12-9-16/h2-6H,1,7-12,15-16H2",C14H23N3,,,,,,PKFGXDLEBNPVAF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.221,278-366-8,76058-49-6,2-propylheptan-1-al,2-propylheptanal,CCCCCC(CCC)C=O,CCCCCC(CCC)C=O,"InChI=1/C10H20O/c1-3-5-6-8-10(9-11)7-4-2/h9-10H,3-8H2,1-2H3",C10H20O,,,,,,FEFNFOUJRMDJFO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.226,278-372-0,76091-71-9,"N-(4-chlorophenyl)-6,7-dihydroxynaphthalene-2-sulphonamide","N-(4-chlorophenyl)-6,7-dihydroxynaphthalene-2-sulfonamide",Oc1cc2ccc(cc2cc1O)S(=O)(=O)Nc3ccc(Cl)cc3,Oc1cc2ccc(cc2cc1O)S(=O)(=O)Nc3ccc(Cl)cc3,"InChI=1/C16H12ClNO4S/c17-12-2-4-13(5-3-12)18-23(21,22)14-6-1-10-8-15(19)16(20)9-11(10)7-14/h1-9,18-20H",C16H12ClNO4S,,,,,,BDZFZYIJGYTQJF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.227,253-067-5,36499-65-7,Dicobalt edetate,"dicobalt(2+) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[Co+2].[Co+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Co+2].[Co+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.2Co/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+2/p-4",C10H12CoN2O8.Co,,,,,,TWAWHTJKASJPEK-UHFFFAOYSA-J,,,,,,,,,,,
100.048.230,253-070-1,36504-64-0,Nictindole,(2-isopropyl-1H-indol-3-yl)(pyridin-3-yl)methanone,CC(C)c1[nH]c2ccccc2c1C(=O)c3cccnc3,CC(C)c1[nH]c2ccccc2c1C(=O)c3cccnc3,"InChI=1/C17H16N2O/c1-11(2)16-15(13-7-3-4-8-14(13)19-16)17(20)12-6-5-9-18-10-12/h3-11,19H,1-2H3",C17H16N2O,,,,,,SOOXXPIIPHUERK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.233,253-073-8,36505-86-9,4-anilinobenzenediazonium tetrachlorozincate (2:1),bis(4-anilinobenzenediazonium) tetrachlorozincate(2-),Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c3ccc(Nc4ccccc4)cc3,Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c3ccc(Nc4ccccc4)cc3,"InChI=1/2C12H10N3.4ClH.Zn/c2*13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;;;;;/h2*1-9,14H;4*1H;/q2*+1;;;;;+2/p-4/r2C12H10N3.Cl4Zn/c2*13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-5(2,3)4/h2*1-9,14H;/q2*+1;-2",C12H10N3.1/2Cl4Zn,,,,,,YCBQIKXKAGTKRK-UHFFFAOYSA-J,,,,,,,,,,,
100.048.236,253-076-4,36508-71-1,"Benzoic acid, [1-[4-[(3-amino-2,3,6-trideoxy-a-l-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide, monohydrochloride, (2S-cis)-","N'-(1-{4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}ethylidene)benzohydrazide",COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\\C(=N\\NC(=O)c6ccccc6)\\C,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccccc6)\C,"InChI=1/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)",C34H35N3O10.ClH,,,,,,FBTUMDXHSRTGRV-ALTNURHMSA-N,,,,,,,,,,,
100.048.239,253-080-6,36511-72-5,Butylmethylnaphthalene,1-pentylnaphthalene,CCCCCc1cccc2ccccc12,CCCCCc1cccc2ccccc12,"InChI=1/C15H18/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14/h5-7,9-12H,2-4,8H2,1H3",C15H18,,,,,,FDHDUXOBMHHFFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.246,253-087-4,36528-28-6,Decyl laurate,decyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCC,CCCCCCCCCCCC(=O)OCCCCCCCCCC,"InChI=1/C22H44O2/c1-3-5-7-9-11-13-14-16-18-20-22(23)24-21-19-17-15-12-10-8-6-4-2/h3-21H2,1-2H3",C22H44O2,,,,,,RAPXDXJBAYUBHI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.249,253-091-6,36536-22-8,"2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)penta-1,3-dienyl]-1,3,3-trimethyl-3H-indolium iodide","1,3,3-trimethyl-2-[5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3H-indolium iodide",[I-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=CC=C3N(C)c2ccccc2C3(C)C,[I-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C27H31N2.HI/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1",C27H31N2.I,,,,,,UANMYOBKUNUUTR-UHFFFAOYSA-M,,,,,,,,,,,
100.049.754,254-749-5,40013-87-4,"(3ß,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,24,25-triol","9,10-secocholesta-5,7,10-triene-3,24,25-triol",CC(C)(O)C(O)CC[C@@H](C)[C@H]2CC[C@H]1C(CCC[C@@]12C)=C\\C=C3\\C[C@@H](O)CCC3=C,CC(C)(O)C(O)CC[C@@H](C)[C@H]2CC[C@H]1C(CCC[C@@]12C)=C\C=C3\C[C@@H](O)CCC3=C,"InChI=1/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3",C27H44O3,,,,,,FCKJYANJHNLEEP-PWDWTJFCSA-N,,,,,,,,,,,
100.049.759,254-754-2,40027-38-1,"Oleic acid, compound with (Z)-N-octadec-9-enylpropane-1,3-diamine","octadec-9-enoic acid - N-octadec-9-en-1-ylpropane-1,3-diamine (1:1)",CCCCCCCC\\C=C/CCCCCCCCNCCCN.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCC\C=C/CCCCCCCCNCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C21H44N2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C21H44N2.xC18H34O2,,,,,,XRMFYYDQOUSPSM-QZOPMXJLSA-N,,,,,,,,,,,
100.049.764,254-760-5,40034-44-4,3-(4-pyridyl)aniline,3-pyridin-4-ylaniline,Nc1cccc(c1)c2ccncc2,Nc1cccc(c1)c2ccncc2,"InChI=1/C11H10N2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,12H2",C11H10N2,,,,,,BDSBSHZVSVKIHM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.765,254-761-0,40034-45-5,Diethyl [[[3-(4-pyridyl)phenyl]amino]methylene]malonate,diethyl {[(3-pyridin-4-ylphenyl)amino]methylene}malonate,CCOC(=O)C(=CNc1cccc(c1)c2ccncc2)C(=O)OCC,CCOC(=O)C(=CNc1cccc(c1)c2ccncc2)C(=O)OCC,"InChI=1/C19H20N2O4/c1-3-24-18(22)17(19(23)25-4-2)13-21-16-7-5-6-15(12-16)14-8-10-20-11-9-14/h5-13,21H,3-4H2,1-2H3",C19H20N2O4,,,,,,YCVBJXPHYHMMRG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.434,254-397-2,39273-52-4,4-ethoxy-2-(4-methoxyphenyl)-1-benzopyrylium perchlorate,4-ethoxy-2-(4-methoxyphenyl)chromenium perchlorate,CCOc1cc([o+]c2ccccc12)c3ccc(OC)cc3.[O-]Cl(=O)(=O)=O,CCOc1cc([o+]c2ccccc12)c3ccc(OC)cc3.[O-]Cl(=O)(=O)=O,"InChI=1/C18H17O3.ClHO4/c1-3-20-18-12-17(13-8-10-14(19-2)11-9-13)21-16-7-5-4-6-15(16)18;2-1(3,4)5/h4-12H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",C18H17O3.ClO4,,,,,,YNTXOKYWPOVQOD-UHFFFAOYSA-M,,,,,,,,,,,
100.049.802,254-801-7,40130-25-4,2-ethoxy-4-nitrophenol,2-ethoxy-4-nitrophenol,CCOc1cc(ccc1O)[N+](=O)[O-],CCOc1cc(ccc1O)[N+](=O)[O-],"InChI=1/C8H9NO4/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5,10H,2H2,1H3",C8H9NO4,,,,,,GIHYKBDWFSOKNN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.810,254-810-6,40137-60-8,1-methyl-2-(2-methylpropoxy)ethyl chloroacetate,2-isobutoxy-1-methylethyl chloroacetate,CC(C)COCC(C)OC(=O)CCl,CC(C)COCC(C)OC(=O)CCl,"InChI=1/C9H17ClO3/c1-7(2)5-12-6-8(3)13-9(11)4-10/h7-8H,4-6H2,1-3H3",C9H17ClO3,,,,,,YKCNOWIHQSJPHL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.816,254-816-9,40161-95-3,"5-oxo-L-proline, compound with octadecylamine (1:1)",5-oxo-L-proline - octadecan-1-amine (1:1),CCCCCCCCCCCCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C18H39N.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-4-2-1-3(6-4)5(8)9/h2-19H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C18H39N.C5H7NO3,,,,,,YLLPDFAUFTZCAJ-HVDRVSQOSA-N,,,,,,,,,,,
100.049.817,254-817-4,40164-69-0,"2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)acetamide","2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)acetamide",CCc1cccc(CC)c1N(CCl)C(=O)CCl,CCc1cccc(CC)c1N(CCl)C(=O)CCl,"InChI=1/C13H17Cl2NO/c1-3-10-6-5-7-11(4-2)13(10)16(9-15)12(17)8-14/h5-7H,3-4,8-9H2,1-2H3",C13H17Cl2NO,,,,,,PDQMMZXYWKOZHY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.819,254-820-0,40165-84-2,3-hydroxyheptadecanonitrile,3-hydroxyheptadecanenitrile,CCCCCCCCCCCCCCC(O)CC#N,CCCCCCCCCCCCCCC(O)CC#N,"InChI=1/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18/h17,19H,2-15H2,1H3",C17H33NO,,,,,,BLGMYVKUAPVISO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.821,254-822-1,40172-65-4,"Naphtho[1,2-d]thiazol-2-amine","naphtho[1,2-d][1,3]thiazol-2-amine",Nc1nc2c(ccc3ccccc23)s1,Nc1nc2c(ccc3ccccc23)s1,"InChI=1/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)",C11H8N2S,,,,,,FECQXVPRUCCUIL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.837,254-839-4,40212-63-3,Diholmium trisuccinate,diholmium trisuccinate,[Ho+3].[Ho+3].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-],[Ho+3].[Ho+3].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-],"InChI=1/3C4H6O4.2Ho/c3*5-3(6)1-2-4(7)8;;/h3*1-2H2,(H,5,6)(H,7,8);;/q;;;2*+3/p-6",C4H6O4.2/3Ho,,,,,,AVQOOQJPTFIZBI-UHFFFAOYSA-H,,,,,,,,,,,
100.049.843,254-846-2,40221-44-1,"1,1'-dimethyldibutylamine",N-(1-methylbutyl)pentan-2-amine,CCCC(C)NC(C)CCC,CCCC(C)NC(C)CCC,"InChI=1/C10H23N/c1-5-7-9(3)11-10(4)8-6-2/h9-11H,5-8H2,1-4H3",C10H23N,,,,,,ZZJKGVPMLGIOTF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.844,254-847-8,40224-10-0,1-(2-ethylphenyl)piperazine,1-(2-ethylphenyl)piperazine,CCc1ccccc1N2CCNCC2,CCc1ccccc1N2CCNCC2,"InChI=1/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3",C12H18N2,,,,,,LMQFWBCKQMNEEH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.853,254-857-2,40248-63-3,L-p-menth-3-yloxyacetic acid,[(2-isopropyl-5-methylcyclohexyl)oxy]acetic acid,CC(C)C1CCC(C)CC1OCC(=O)O,CC(C)C1CCC(C)CC1OCC(=O)O,"InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)",C12H22O3,,,,,,CILPHQCEVYJUDN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.854,254-858-8,40252-86-6,"Octahydro-4,7-methano-1H-indene-2-carboxylic acid","octahydro-1H-4,7-methanoindene-2-carboxylic acid",OC(=O)C1CC2C3CCC(C3)C2C1,OC(=O)C1CC2C3CCC(C3)C2C1,"InChI=1/C11H16O2/c12-11(13)8-4-9-6-1-2-7(3-6)10(9)5-8/h6-10H,1-5H2,(H,12,13)",C11H16O2,,,,,,RDARSNURXMFGDV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.177,259-614-4,55364-67-5,Methyl 6-methoxy-2-benzofurancarboxylate,methyl 6-methoxy-1-benzofuran-2-carboxylate,COC(=O)c1oc2cc(OC)ccc2c1,COC(=O)c1oc2cc(OC)ccc2c1,"InChI=1/C11H10O4/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-6H,1-2H3",C11H10O4,,,,,,XSWDPIQGBIWAPT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.178,259-616-5,55366-30-8,"2,6-dichloro-3-(trichloromethyl)pyridine","2,6-dichloro-3-(trichloromethyl)pyridine",Clc1ccc(c(Cl)n1)C(Cl)(Cl)Cl,Clc1ccc(c(Cl)n1)C(Cl)(Cl)Cl,"InChI=1/C6H2Cl5N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H",C6H2Cl5N,,,,,,XLZHJPALXIYDGU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.179,259-617-0,55373-89-2,Methyl pentacosanoate,methyl pentacosanoate,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C26H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-25H2,1-2H3",C26H52O2,,,,,,WOPKHAQDUMDJIY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.191,259-630-1,55418-52-5,"4-(1,3-benzodioxol-5-yl)butan-2-one","4-(1,3-benzodioxol-5-yl)butan-2-one",CC(=O)CCc1ccc2OCOc2c1,CC(=O)CCc1ccc2OCOc2c1,"InChI=1/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3",C11H12O3,,,,,,TZJLGGWGVLADDN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.198,259-638-5,55435-71-7,3-chloro-4-morpholino-1-nitrobenzene,4-(2-chloro-4-nitrophenyl)morpholine,[O-][N+](=O)c1ccc(N2CCOCC2)c(Cl)c1,[O-][N+](=O)c1ccc(N2CCOCC2)c(Cl)c1,"InChI=1/C10H11ClN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2",C10H11ClN2O3,,,,,,ZPKGWYXJULKUEH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.642,282-132-0,84100-52-7,3-chloro-3-(2-thienyl)methacrylaldehyde,3-chloro-2-methyl-3-(2-thienyl)acrylaldehyde,C\\C(=C(\\Cl)/c1cccs1)\\C=O,C\C(=C(\Cl)/c1cccs1)\C=O,"InChI=1/C8H7ClOS/c1-6(5-10)8(9)7-3-2-4-11-7/h2-5H,1H3",C8H7ClOS,,,,,,DEJITVOMCFNCDM-VURMDHGXSA-N,,,,,,,,,,,
100.074.643,282-133-6,84100-53-8,Ethyl cis-4-amino-3-hydroxypiperidine-1-carboxylate,ethyl 4-amino-3-hydroxypiperidine-1-carboxylate,CCOC(=O)N1CC[C@@H](N)[C@@H](O)C1,CCOC(=O)N1CC[C@@H](N)[C@@H](O)C1,"InChI=1/C8H16N2O3/c1-2-13-8(12)10-4-3-6(9)7(11)5-10/h6-7,11H,2-5,9H2,1H3",C8H16N2O3,,,,,,TVTJWRDQBQQKIX-RQJHMYQMSA-N,,,,,,,,,,,
100.074.791,282-296-3,84145-68-6,3-[(4-chloro-2-nitrophenyl)amino]propan-1-ol,3-[(4-chloro-2-nitrophenyl)amino]propan-1-ol,OCCCNc1ccc(Cl)cc1[N+](=O)[O-],OCCCNc1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C9H11ClN2O3/c10-7-2-3-8(11-4-1-5-13)9(6-7)12(14)15/h2-3,6,11,13H,1,4-5H2",C9H11ClN2O3,,,,,,JHJLKWHUMFLDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.795,282-301-9,84145-72-2,4-cyanopentylmorpholine,2-methyl-5-morpholin-2-ylpentanenitrile,CC(CCCC1CNCCO1)C#N,CC(CCCC1CNCCO1)C#N,"InChI=1/C10H18N2O/c1-9(7-11)3-2-4-10-8-12-5-6-13-10/h9-10,12H,2-6,8H2,1H3",C9H16N2O,,,,,,OFGQNDUYVVWJTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.806,282-313-4,84145-85-7,"Adipic acid, compound with morpholine",hexanedioic acid - morpholine (1:1),OC(=O)CCCCC(=O)O.C1COCCN1,OC(=O)CCCCC(=O)O.C1COCCN1,"InChI=1/C6H10O4.C4H9NO/c7-5(8)3-1-2-4-6(9)10;1-3-6-4-2-5-1/h1-4H2,(H,7,8)(H,9,10);5H,1-4H2",C6H10O4.xC4H9NO,,,,,,IQNPKORPDQISPR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.810,282-318-1,84162-58-3,Pentyl (4-chloro-2-methylphenoxy)acetate,pentyl (4-chloro-2-methylphenoxy)acetate,CCCCCOC(=O)COc1ccc(Cl)cc1C,CCCCCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C14H19ClO3/c1-3-4-5-8-17-14(16)10-18-13-7-6-12(15)9-11(13)2/h6-7,9H,3-5,8,10H2,1-2H3",C14H19ClO3,,,,,,FEZMLSWZCMPMQE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.814,282-322-3,84176-56-7,"Dodecanedioic acid, compound with 2,2'-iminodiethanol","dodecanedioic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)CCCCCCCCCCC(=O)O,OCCNCCO.OC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C12H22O4.C4H11NO2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;6-3-1-5-2-4-7/h1-10H2,(H,13,14)(H,15,16);5-7H,1-4H2",C12H22O4.xC4H11NO2,,,,,,LQHWBFXCTYIQHB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.819,282-328-6,84176-61-4,Sodium 9-(hydroxyphenyl)nonanesulphonate,sodium 9-(2-hydroxyphenyl)nonane-1-sulfonate,[Na+].Oc1ccccc1CCCCCCCCCS(=O)(=O)[O-],[Na+].Oc1ccccc1CCCCCCCCCS(=O)(=O)[O-],"InChI=1/C15H24O4S.Na/c16-15-12-8-7-11-14(15)10-6-4-2-1-3-5-9-13-20(17,18)19;/h7-8,11-12,16H,1-6,9-10,13H2,(H,17,18,19);/q;+1/p-1",C15H24O4S.Na,,,,,,AZPBWQKIWDFCAN-UHFFFAOYSA-M,,,,,,,,,,,
100.074.824,282-333-3,84176-67-0,"1,5-dihydroxy-2,2,4,4-tetrakis(hydroxymethyl)pentan-3-one","1,5-dihydroxy-2,2,4,4-tetrakis(hydroxymethyl)pentan-3-one",OCC(CO)(CO)C(=O)C(CO)(CO)CO,OCC(CO)(CO)C(=O)C(CO)(CO)CO,"InChI=1/C9H18O7/c10-1-8(2-11,3-12)7(16)9(4-13,5-14)6-15/h10-15H,1-6H2",C9H18O7,,,,,,JYQHEXIAVMIWFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.718,278-913-0,78448-49-4,"8-ethyl-1,3,4,6,7,8-hexahydro-4,6,6,8-tetramethylcyclopenta[g]-2-benzopyran","8-ethyl-4,6,6,8-tetramethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene",CCC1(C)CC(C)(C)c2cc3C(C)COCc3cc12,CCC1(C)CC(C)(C)c2cc3C(C)COCc3cc12,"InChI=1/C18H26O/c1-6-18(5)11-17(3,4)15-8-14-12(2)9-19-10-13(14)7-16(15)18/h7-8,12H,6,9-11H2,1-5H3",C18H26O,,,,,,BYAUGQHXQRQQPB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.727,278-923-5,78480-17-8,Hexadecyltrimethylammonium isopropyl sulphate,"N,N,N-trimethylhexadecan-1-aminium isopropyl sulfate",CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],"InChI=1/C19H42N.C3H8O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-3(2)7-8(4,5)6/h5-19H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;/p-1",C19H42N.C3H7O4S,,,,,,TYZDCXVTANEDCG-UHFFFAOYSA-M,,,,,,,,,,,
100.071.735,278-931-9,78510-28-8,"Sodium 1-amino-9,10-dihydro-4-[(3-methoxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(3-methoxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].COc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c1,[Na+].COc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c1,"InChI=1/C21H16N2O6S.Na/c1-29-12-6-4-5-11(9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1",C21H16N2O6S.Na,,,,,,JPTNNWGUNYMLDB-UHFFFAOYSA-M,,,,,,,,,,,
100.071.740,278-937-1,78527-63-6,3-[2-[2-(1-naphthylamino)ethoxy]ethoxy]propiononitrile,3-{2-[2-(1-naphthylamino)ethoxy]ethoxy}propanenitrile,N#CCCOCCOCCNc1cccc2ccccc12,N#CCCOCCOCCNc1cccc2ccccc12,"InChI=1/C17H20N2O2/c18-9-4-11-20-13-14-21-12-10-19-17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8,19H,4,10-14H2",C17H20N2O2,,,,,,RDINMGBRZOIOLS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.744,278-941-3,78539-88-5,(4-methylphenyl) 2-pyridyl ketone,(4-methylphenyl)(pyridin-2-yl)methanone,Cc1ccc(cc1)C(=O)c2ccccn2,Cc1ccc(cc1)C(=O)c2ccccn2,"InChI=1/C13H11NO/c1-10-5-7-11(8-6-10)13(15)12-4-2-3-9-14-12/h2-9H,1H3",C13H11NO,,,,,,BHDAKOZHMSQCFH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.028,280-354-2,83270-32-0,"Sodium p-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-(4-{[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O,[Na+].Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O,"InChI=1/C22H16Cl2N4O5S.Na/c1-13-21(22(29)28(27-13)15-7-9-16(10-8-15)34(30,31)32)26-25-18-12-14(23)6-11-20(18)33-19-5-3-2-4-17(19)24;/h2-12,21H,1H3,(H,30,31,32);/q;+1/p-1",C22H16Cl2N4O5S.Na,,,,,,JREHNUXRYZPZSC-UHFFFAOYSA-M,,,,,,,,,,,
100.073.029,280-355-8,83270-34-2,6-bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium acetate,6-bromo-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-methylbenzo[cd]indolium acetate,CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Br)c4cccc2c34.CC(=O)[O-],CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Br)c4cccc2c34.CC(=O)[O-],"InChI=1/C22H22BrN2O.C2H4O2/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(3)4/h4-12,26H,3,13-14H2,1-2H3;1H3,(H,3,4)/q+1;/p-1",C22H22BrN2O.C2H3O2,,,,,,BWOJXALPWMASQP-UHFFFAOYSA-M,,,,,,,,,,,
100.073.030,280-356-3,83270-35-3,"6-(2-methoxyethoxy)-2,5,8,11-tetraoxadodecane","6-(2-methoxyethoxy)-2,5,8,11-tetraoxadodecane",COCCOCC(OCCOC)OCCOC,COCCOCC(OCCOC)OCCOC,"InChI=1/C11H24O6/c1-12-4-7-15-10-11(16-8-5-13-2)17-9-6-14-3/h11H,4-10H2,1-3H3",C11H24O6,,,,,,STJYDCCUAPYRKP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.035,280-362-6,83277-30-9,5-(hydroxymethyl)-3-(1-methylethyl)oxazolidin-2-one,"5-(hydroxymethyl)-3-isopropyl-1,3-oxazolidin-2-one",CC(C)N1CC(CO)OC1=O,CC(C)N1CC(CO)OC1=O,"InChI=1/C7H13NO3/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3",C7H13NO3,,,,,,RXRVCSDDGFQDOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.051,280-379-9,83373-60-8,"Potassium O-(octahydro-4,7-methano-1H-inden-5-yl) dithiocarbonate","potassium O-(octahydro-1H-4,7-methanoinden-5-yl) dithiocarbonate",[K+].[S-]C(=S)OC1CC2CC1C3CCCC23,[K+].[S-]C(=S)OC1CC2CC1C3CCCC23,"InChI=1/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1",C11H16OS2.K,,,,,,IGULCCCBGBDZKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.894,282-410-1,84196-02-1,2-chloro-5-(4-chlorophenoxy)-4-diethylaminobenzenediazonium tetrafluoroborate,2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium tetrafluoroborate,CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[B-](F)(F)F,CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[B-](F)(F)F,"InChI=1/C16H16Cl2N3O.BF4/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;2-1(3,4)5/h5-10H,3-4H2,1-2H3;/q+1;-1",C16H16Cl2N3O.BF4,,,,,,SSKPYDDQRFDAPB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.897,282-413-8,84196-05-4,"4,8,12,15,19,23-hexaazahexacosanedinitrile","4,8,12,15,19,23-hexaazahexacosane-1,26-dinitrile",N#CCCNCCCNCCCNCCNCCCNCCCNCCC#N,N#CCCNCCCNCCCNCCNCCCNCCCNCCC#N,"InChI=1/C20H42N8/c21-7-1-9-23-11-3-13-25-15-5-17-27-19-20-28-18-6-16-26-14-4-12-24-10-2-8-22/h23-28H,1-6,9-20H2",C20H42N8,,,,,,OLIDNNLFIODMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.899,282-415-9,84196-07-6,"Di(1,3-dimethylbutyl) hydrogen phosphate","bis(1,3-dimethylbutyl) hydrogen phosphate",CC(C)CC(C)OP(=O)(O)OC(C)CC(C)C,CC(C)CC(C)OP(=O)(O)OC(C)CC(C)C,"InChI=1/C12H27O4P/c1-9(2)7-11(5)15-17(13,14)16-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,13,14)",C12H27O4P,,,,,,YGTBMOOSDOYPEI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.903,282-420-6,84196-11-2,"[(1,1-diphosphonoethyl)imino]bis(methanesulphonic) acid","[(1,1-diphosphonoethyl)imino]dimethanesulfonic acid",CC(N(CS(=O)(=O)O)CS(=O)(=O)O)(P(=O)(O)O)P(=O)(O)O,CC(N(CS(=O)(=O)O)CS(=O)(=O)O)(P(=O)(O)O)P(=O)(O)O,"InChI=1/C4H13NO12P2S2/c1-4(18(6,7)8,19(9,10)11)5(2-20(12,13)14)3-21(15,16)17/h2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)(H,12,13,14)(H,15,16,17)",C4H13NO12P2S2,,,,,,BYBZEMDTHKGLRT-UHFFFAOYSA-N,,,,,,,,,,,
100.074.904,282-421-1,84196-12-3,"Potassium N-(carboxymethyl)-N-(1,1-diphosphonoethyl)glycinate","potassium [(carboxymethyl)(1,1-diphosphonoethyl)amino]acetate",[K+].OP(O)(=O)C(C)(N(CC([O-])=O)CC(O)=O)P(O)(=O)O,[K+].OP(O)(=O)C(C)(N(CC([O-])=O)CC(O)=O)P(O)(=O)O,"InChI=1/C6H13NO10P2.K/c1-6(18(12,13)14,19(15,16)17)7(2-4(8)9)3-5(10)11;/h2-3H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17);/q;+1/p-1",C6H13NO10P2.xK,,,,,,ARDSOIMYFBKNQX-UHFFFAOYSA-M,,,,,,,,,,,
100.074.907,282-424-8,84196-15-6,2-[[1-(benzyl)-4-piperidyl]amino]butyric acid,2-[(1-benzylpiperidin-4-yl)amino]butanoic acid,CCC(NC1CCN(Cc2ccccc2)CC1)C(=O)O,CCC(NC1CCN(Cc2ccccc2)CC1)C(=O)O,"InChI=1/C16H24N2O2/c1-2-15(16(19)20)17-14-8-10-18(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3,(H,19,20)",C16H24N2O2,,,,,,VAKUUPZGMCTDKA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.908,282-425-3,84196-16-7,N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide hydrochloride,N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide hydrochloride,Cl.CCC(=O)N(c1ccccc1)C2(COC)CCNCC2,Cl.CCC(=O)N(c1ccccc1)C2(COC)CCNCC2,"InChI=1/C16H24N2O2.ClH/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16;/h4-8,17H,3,9-13H2,1-2H3;1H",C16H24N2O2.ClH,,,,,,RVUDUAGGKPDPDM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.647,285-441-9,85098-88-0,"1-(4'-bromo[1,1'-biphenyl]-4-yl)-3-phenyl-2-propen-1-one",1-(4'-bromobiphenyl-4-yl)-3-phenylprop-2-en-1-one,Brc1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccccc3,Brc1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccccc3,InChI=1/C21H15BrO/c22-20-13-11-18(12-14-20)17-7-9-19(10-8-17)21(23)15-6-16-4-2-1-3-5-16/h1-15H,C21H15BrO,,,,,,NTCBUXIQMLORSI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.435,254-398-8,39277-13-9,Disodium hexabromoplatinate,disodium hexabromoplatinate(2-),[Na+].[Na+].Br[Pt-2](Br)(Br)(Br)(Br)Br,[Na+].[Na+].Br[Pt-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6/rBr6Pt.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",Br6Pt.2Na,,,,,,RFZKZIKSQSDBBI-UHFFFAOYSA-H,,,,,,,,,,,
100.049.441,254-404-9,39294-08-1,"Antimony, compound with strontium (2:3)",-,[SrH2].[SrH2].[SrH2].[Sb].[Sb],[SrH2].[SrH2].[SrH2].[Sb].[Sb],InChI=1/2Sb.3Sr.6H/q2*+3;3*+2;;;;;;/r2Sb.3H2Sr/h;;3*1H2/q2*+3;3*+2,Sb.Sr,,,,,,MUZOFISXMDJJJM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.467,254-433-7,39373-95-0,"1-Octanol, 5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-, phosphate, potassium salt",-,[K+].CC(CCC(COP(=O)([O-])[O-])C(C)CC(C)(C)C)CC(C)(C)C,[K+].CC(CCC(COP(=O)([O-])[O-])C(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C18H39O4P.K/c1-14(11-17(3,4)5)9-10-16(13-22-23(19,20)21)15(2)12-18(6,7)8;/h14-16H,9-13H2,1-8H3,(H2,19,20,21);/q;+1/p-2",-,,,,,,OWNDGSXQJWIAAR-UHFFFAOYSA-L,,,,,,,,,,,
100.049.471,254-437-9,39380-70-6,"Silicic acid, compd. with guanidine",guanidine - oxosilanediol (1:1),NC(=N)N.O[Si](=O)O,NC(=N)N.O[Si](=O)O,"InChI=1/CH5N3.H2O3Si/c2-1(3)4;1-4(2)3/h(H5,2,3,4);1-2H",-,,,,,,OZDQORXDKNUVMW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.476,254-443-1,39390-00-6,Lead chloride silicate,-,[Cl-].[Pb+4].[O-][Si](=O)[O-],[Cl-].[Pb+4].[O-][Si](=O)[O-],InChI=1/ClH.O3Si.Pb/c;1-4(2)3;/h1H;;/q;-2;+4/p-1,-,,,,,,LNTKGIGOZJNBHZ-UHFFFAOYSA-M,,,,,,,,,,,
100.049.478,254-445-2,39407-03-9,"Phosphoric acid, octyl ester",octyl dihydrogen phosphate,CCCCCCCCOP(=O)(O)O,CCCCCCCCOP(=O)(O)O,"InChI=1/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)",-,,,,,,WRKCIHRWQZQBOL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.789,284-498-7,84924-84-5,Hydroxydimethylbenzenesulphonic acid,"2-hydroxy-3,4-dimethylbenzenesulfonic acid",Cc1ccc(c(O)c1C)S(=O)(=O)O,Cc1ccc(c(O)c1C)S(=O)(=O)O,"InChI=1/C8H10O4S/c1-5-3-4-7(13(10,11)12)8(9)6(5)2/h3-4,9H,1-2H3,(H,10,11,12)",C8H10O4S,,,,,,QMCLSDFMANMHLD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.686,278-877-6,78266-06-5,Mebrofenin,"2,2'-({2-[(3-bromo-2,4,6-trimethylphenyl)amino]-2-oxoethyl}imino)diacetic acid",Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br,Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br,"InChI=1/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)",C15H19BrN2O5,,,,,,MHPZZZZLAQGTHT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.688,278-879-7,78273-62-8,2-(dichloromethyl)benzoyl chloride,2-(dichloromethyl)benzoyl chloride,ClC(Cl)c1ccccc1C(=O)Cl,ClC(Cl)c1ccccc1C(=O)Cl,"InChI=1/C8H5Cl3O/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7H",C8H5Cl3O,,,,,,ZEPFJTAUOKYKKX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.695,278-887-0,78285-90-2,"(3ß,16a)-3-(ß-D-glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid",3-(beta-D-glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid,CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O,"InChI=1/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)",C36H58O9,,,,,,WYDPEADEZMZKNM-ZBKPBKBGSA-N,,,,,,,,,,,
100.071.703,278-895-4,78324-76-2,"1H-anthra[2,3-d]triazole-5,10-dione","1H-anthra[2,3-d][1,2,3]triazole-5,10-dione",O=C1c2ccccc2C(=O)c3cc4[nH]nnc4cc13,O=C1c2ccccc2C(=O)c3cc4[nH]nnc4cc13,"InChI=1/C14H7N3O2/c18-13-7-3-1-2-4-8(7)14(19)10-6-12-11(5-9(10)13)15-17-16-12/h1-6H,(H,15,16,17)",C14H7N3O2,,,,,,LSBFHEKUKJOTOI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.704,278-897-5,78326-97-3,"N,N'-bis[2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine","N~2~,N~4~-bis{2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl}-1,3,5-triazine-2,4,6-triamine",Nc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(N)n3)n2)n1,Nc1nc(N)nc(NCCNc2nc(N)nc(NCCNc3nc(N)nc(N)n3)n2)n1,"InChI=1/C13H22N18/c14-5-23-6(15)26-10(25-5)19-1-3-21-12-29-9(18)30-13(31-12)22-4-2-20-11-27-7(16)24-8(17)28-11/h1-4H2,(H5,14,15,19,23,25,26)(H5,16,17,20,24,27,28)(H4,18,21,22,29,30,31)",C13H22N18,,,,,,AADKOQARFMAFHR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.999,280-322-8,83249-52-9,"5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile","5-[(3,4-dichlorophenyl)diazenyl]-6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1ccc(Cl)c(Cl)c1)=C(\\O)N2C,O=C2C(/C#N)=C(/C)\C(\N=Nc1ccc(Cl)c(Cl)c1)=C(\O)N2C,"InChI=1/C14H10Cl2N4O2/c1-7-9(6-17)13(21)20(2)14(22)12(7)19-18-8-3-4-10(15)11(16)5-8/h3-5,22H,1-2H3",C14H10Cl2N4O2,,,,,,OHXVEPRYGPIKAN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.211,259-652-1,55464-76-1,Allyl hydrogen fumarate,4-(allyloxy)-4-oxobut-2-enoic acid,OC(=O)\\C=C\\C(=O)OCC=C,OC(=O)\C=C\C(=O)OCC=C,"InChI=1/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)",C7H8O4,,,,,,PEKZMKOVRVVTTN-ONEGZZNKSA-N,,,,,,,,,,,
100.054.214,259-655-8,55470-53-6,4-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1-methylpyridinium methyl sulphate,4-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1-methylpyridinium methyl sulfate,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3cc[n+](C)cc3.COS(=O)(=O)[O-],CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3cc[n+](C)cc3.COS(=O)(=O)[O-],"InChI=1/C19H21N2O2.CH4O4S/c1-4-21(5-2)16-7-6-15-12-17(19(22)23-18(15)13-16)14-8-10-20(3)11-9-14;1-5-6(2,3)4/h6-13H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C19H21N2O2.CH3O4S,,,,,,XUHCZKYTEGBYIW-UHFFFAOYSA-M,,,,,,,,,,,
100.054.218,259-660-5,55477-35-5,"2-amino-5-methyl-1H,5H-pyrimidine-4,6-dione","2-amino-5-methylpyrimidine-4,6(1H,5H)-dione",CC1C(=O)NC(=NC1=O)N,CC1C(=O)NC(=NC1=O)N,"InChI=1/C5H7N3O2/c1-2-3(9)7-5(6)8-4(2)10/h2H,1H3,(H3,6,7,8,9,10)",C5H7N3O2,,,,,,JAJGJSALTQUCAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.719,259-110-4,54340-60-2,"4-[N-[2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenyl]carbamoyl]-3-methoxyphenyl acetate monohydrochloride","4-[(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)carbamoyl]-3-methoxyphenyl acetate hydrochloride",Cl.COc1cc(OC(=O)C)ccc1C(=O)Nc2c(Br)cc(Br)cc2CN(C)C3CCCCC3,Cl.COc1cc(OC(=O)C)ccc1C(=O)Nc2c(Br)cc(Br)cc2CN(C)C3CCCCC3,"InChI=1/C24H28Br2N2O4.ClH/c1-15(29)32-19-9-10-20(22(13-19)31-3)24(30)27-23-16(11-17(25)12-21(23)26)14-28(2)18-7-5-4-6-8-18;/h9-13,18H,4-8,14H2,1-3H3,(H,27,30);1H",C24H28Br2N2O4.ClH,,,,,,MJVBJZFHVCVMPR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.726,259-118-8,54346-87-1,5-methoxybenzothiazol-2-amine,"5-methoxy-1,3-benzothiazol-2-amine",COc1ccc2sc(N)nc2c1,COc1ccc2sc(N)nc2c1,"InChI=1/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)",C8H8N2OS,,,,,,OMIHQJBWAPWLBO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.732,259-125-6,54364-05-5,"(8S-cis)-10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[2-hydroxy-1-(hydroxyimino)ethyl]-1-methoxynaphthacene-5,12-dione monohydrochloride","3-(N,2-dihydroxyethanimidoyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride",Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\\C(=N\\O)\\CO,Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\C(=N\O)\CO,"InChI=1/C27H30N2O11.ClH/c1-10-22(31)13(28)6-17(39-10)40-15-8-27(36,16(9-30)29-37)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(38-2)18(11)25(21)34;/h3-5,10,13,15,17,22,30-31,33,35-37H,6-9,28H2,1-2H3;1H",C27H30N2O11.ClH,,,,,,JUTLHLOAYINQFW-JSVZWFGHSA-N,,,,,,,,,,,
100.053.740,259-134-5,54381-16-7,(p-ammoniophenyl)bis(2-hydroxyethyl)ammonium sulphate,"N,N-bis(2-hydroxyethyl)benzene-1,4-diaminium sulfate",[NH3+]c1ccc(cc1)[NH+](CCO)CCO.[O-]S(=O)(=O)[O-],[NH3+]c1ccc(cc1)[NH+](CCO)CCO.[O-]S(=O)(=O)[O-],"InChI=1/C10H16N2O2.H2O4S/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14;1-5(2,3)4/h1-4,13-14H,5-8,11H2;(H2,1,2,3,4)",C10H16N2O2.H2O4S,,,,,,KMCFMEHSEWDYKG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.742,259-136-6,54384-48-4,"2,2',2''-[nitrilotris(ethane-2,1-diyloxy)trisethanol","2,2',2''-[nitrilotris(ethane-2,1-diyloxy)]triethanol",OCCOCCN(CCOCCO)CCOCCO,OCCOCCN(CCOCCO)CCOCCO,"InChI=1/C12H27NO6/c14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16/h14-16H,1-12H2",C12H27NO6,,,,,,JUDCDFBFKBQQMA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.744,259-138-7,54389-17-2,Zinc dihydrogen diphosphate,-,[Zn+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Zn+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2H3O4P.Zn/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-6",H4O7P2.Zn,,,,,,MFXMOUUKFMDYLM-UHFFFAOYSA-H,,,,,,,,,,,
100.053.745,259-139-2,54390-81-7,"D-glucitol 1,6-didocosanoate","1,6-di-O-docosanoyl-D-glucitol",CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C50H98O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(53)57-43-45(51)49(55)50(56)46(52)44-58-48(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-52,55-56H,3-44H2,1-2H3",C50H98O8,,,,,,RQCGBGXFSUFQCD-FHFTZODCSA-N,,,,,,,,,,,
100.053.746,259-140-8,54391-01-4,"N,N-diallylcyclohexylamine","N,N-diallylcyclohexanamine",C=CCN(CC=C)C1CCCCC1,C=CCN(CC=C)C1CCCCC1,"InChI=1/C12H21N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2",C12H21N,,,,,,OQPJPTHRWIALLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.005,252-821-0,35974-37-9,o-(2-pyridyloxy)phenol,2-(pyridin-2-yloxy)phenol,Oc1ccccc1Oc2ccccn2,Oc1ccccc1Oc2ccccn2,"InChI=1/C11H9NO2/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12-11/h1-8,13H",C11H9NO2,,,,,,XWBHCJMXMDVYLP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.674,252-457-2,35239-35-1,Didodecyl nonylphenyl phosphite,didodecyl 2-nonylphenyl phosphite,CCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1ccccc1CCCCCCCCC,CCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1ccccc1CCCCCCCCC,"InChI=1/C39H73O3P/c1-4-7-10-13-16-18-20-23-26-31-36-40-43(41-37-32-27-24-21-19-17-14-11-8-5-2)42-39-35-30-29-34-38(39)33-28-25-22-15-12-9-6-3/h29-30,34-35H,4-28,31-33,36-37H2,1-3H3",C39H73O3P,,,,,,XRZOGOFWWKOYPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.375,280-735-3,83763-49-9,Bis(6-nitrobenzothiazol-2-amine) sulphate,"6-nitro-1,3-benzothiazol-2-amine sulfate (2:1)",Nc1nc2ccc(cc2s1)[N+](=O)[O-].Nc3nc4ccc(cc4s3)[N+](=O)[O-].OS(=O)(=O)O,Nc1nc2ccc(cc2s1)[N+](=O)[O-].Nc3nc4ccc(cc4s3)[N+](=O)[O-].OS(=O)(=O)O,"InChI=1/2C7H5N3O2S.H2O4S/c2*8-7-9-5-2-1-4(10(11)12)3-6(5)13-7;1-5(2,3)4/h2*1-3H,(H2,8,9);(H2,1,2,3,4)",C7H5N3O2S.1/2H2O4S,,,,,,JAXPBVSIJFQLJK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.377,280-737-4,83763-51-3,4-amino-N-(p-tolyl)toluene-2-sulphonamide,5-amino-2-methyl-N-(4-methylphenyl)benzenesulfonamide,Cc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1,Cc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1,"InChI=1/C14H16N2O2S/c1-10-3-7-13(8-4-10)16-19(17,18)14-9-12(15)6-5-11(14)2/h3-9,16H,15H2,1-2H3",C14H16N2O2S,,,,,,VZZGFQREUXMKFR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.379,280-740-0,83763-53-5,Sodium 2-hydroxy-9H-carbazole-1-carboxylate,sodium 2-hydroxy-9H-carbazole-1-carboxylate,[Na+].Oc1ccc2c3ccccc3[nH]c2c1C(=O)[O-],[Na+].Oc1ccc2c3ccccc3[nH]c2c1C(=O)[O-],"InChI=1/C13H9NO3.Na/c15-10-6-5-8-7-3-1-2-4-9(7)14-12(8)11(10)13(16)17;/h1-6,14-15H,(H,16,17);/q;+1/p-1",C13H9NO3.Na,,,,,,QETTYYZFXGQNHF-UHFFFAOYSA-M,,,,,,,,,,,
100.074.647,282-137-8,84100-57-2,4-chloro-2-(chloro-2-thienylmethylene)butyraldehyde,4-chloro-2-[chloro(2-thienyl)methylene]butanal,ClC(=C(CCCl)C=O)c1cccs1,ClC(=C(CCCl)C=O)c1cccs1,"InChI=1/C9H8Cl2OS/c10-4-3-7(6-12)9(11)8-2-1-5-13-8/h1-2,5-6H,3-4H2",C9H8Cl2OS,,,,,,QXEFQLSTMWQGGF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.649,282-139-9,84100-59-4,5-chloro-2-methyl-1-phenyl-1H-benzimidazole,5-chloro-2-methyl-1-phenyl-1H-benzimidazole,Cc1nc2cc(Cl)ccc2n1c3ccccc3,Cc1nc2cc(Cl)ccc2n1c3ccccc3,"InChI=1/C14H11ClN2/c1-10-16-13-9-11(15)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3",C14H11ClN2,,,,,,BDYHHBOQBZEHLL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.658,282-149-3,84100-70-9,Sodium hydroxy[(trichlorophenyl)methyl]benzenesulphonate,"sodium 2-hydroxy-3-(2,3,4-trichlorobenzyl)benzenesulfonate",[Na+].Oc1c(Cc2ccc(Cl)c(Cl)c2Cl)cccc1S(=O)(=O)[O-],[Na+].Oc1c(Cc2ccc(Cl)c(Cl)c2Cl)cccc1S(=O)(=O)[O-],"InChI=1/C13H9Cl3O4S.Na/c14-9-5-4-7(11(15)12(9)16)6-8-2-1-3-10(13(8)17)21(18,19)20;/h1-5,17H,6H2,(H,18,19,20);/q;+1/p-1",C13H9Cl3O4S.Na,,,,,,FNABYFRAJPOTKM-UHFFFAOYSA-M,,,,,,,,,,,
100.074.659,282-150-9,84100-71-0,"[(5-chloro-4-hydroxy-1,3-phenylene)di(methylene)]di(salicylic) acid","2,2'-[(5-chloro-4-hydroxy-1,3-phenylene)bis(methyleneoxy)]dibenzoic acid",Oc2c(COc1ccccc1C(O)=O)cc(cc2Cl)COc3ccccc3C(O)=O,Oc2c(COc1ccccc1C(O)=O)cc(cc2Cl)COc3ccccc3C(O)=O,"InChI=1/C22H17ClO7/c23-17-10-13(11-29-18-7-3-1-5-15(18)21(25)26)9-14(20(17)24)12-30-19-8-4-2-6-16(19)22(27)28/h1-10,24H,11-12H2,(H,25,26)(H,27,28)",C22H17ClO7,,,,,,LYDKYQIIYYNYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.663,282-155-6,84100-75-4,"Disodium 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(2-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-4-methyl-5-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C26H18ClF2N5O8S2.2Na/c1-10-6-11(9-31-25-20(27)24(28)33-26(29)34-25)14(7-16(10)43(37,38)39)32-15-8-17(44(40,41)42)21(30)19-18(15)22(35)12-4-2-3-5-13(12)23(19)36;;/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C26H18ClF2N5O8S2.2Na,,,,,,GUVLYNFQTSNHHF-UHFFFAOYSA-L,,,,,,,,,,,
100.074.672,282-165-0,84100-86-7,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium oxalate","bis[2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium] oxalate",CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CN(CCC#N)c4ccc(\\C=C\\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]C(=O)C(=O)[O-],CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CN(CCC#N)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]C(=O)C(=O)[O-],"InChI=1/2C23H26N3.C2H2O4/c2*1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;3-1(4)2(5)6/h2*5-6,8-15H,7,17H2,1-4H3;(H,3,4)(H,5,6)/q2*+1;/p-2",C23H26N3.C2HO4,,,,,,WWSPSHQBSIBHIY-UHFFFAOYSA-L,,,,,,,,,,,
100.074.829,282-339-6,84176-72-7,"Ethyl 4,4-dimethoxy-3-(phenylmethoxy)piperidine-1-carboxylate","ethyl 3-(benzyloxy)-4,4-dimethoxypiperidine-1-carboxylate",CCOC(=O)N1CCC(OC)(OC)C(C1)OCc2ccccc2,CCOC(=O)N1CCC(OC)(OC)C(C1)OCc2ccccc2,"InChI=1/C17H25NO5/c1-4-22-16(19)18-11-10-17(20-2,21-3)15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3",C17H25NO5,,,,,,GBEMWQAUUZLZOG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.831,282-341-7,84176-74-9,cis-4-anilino-3-methyl-1-phenethylpiperidine-4-carboxylic acid,4-anilino-3-methyl-1-(2-phenylethyl)piperidine-4-carboxylic acid,C[C@H]1CN(CCc2ccccc2)CC[C@]1(Nc3ccccc3)C(=O)O,C[C@H]1CN(CCc2ccccc2)CC[C@]1(Nc3ccccc3)C(=O)O,"InChI=1/C21H26N2O2/c1-17-16-23(14-12-18-8-4-2-5-9-18)15-13-21(17,20(24)25)22-19-10-6-3-7-11-19/h2-11,17,22H,12-16H2,1H3,(H,24,25)",C21H26N2O2,,,,,,NBELPOLJOOQHKE-LAUBAEHRSA-N,,,,,,,,,,,
100.074.838,282-349-0,84176-82-9,N-[4-(acetylamino)-2-chloro-5-methoxyphenyl]-3-oxobutyramide,N-(4-acetamido-2-chloro-5-methoxyphenyl)-3-oxobutanamide,COc1cc(NC(=O)CC(=O)C)c(Cl)cc1NC(=O)C,COc1cc(NC(=O)CC(=O)C)c(Cl)cc1NC(=O)C,"InChI=1/C13H15ClN2O4/c1-7(17)4-13(19)16-10-6-12(20-3)11(5-9(10)14)15-8(2)18/h5-6H,4H2,1-3H3,(H,15,18)(H,16,19)",C13H15ClN2O4,,,,,,AEHKSCQHBUCHTF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.648,285-442-4,85098-89-1,"1,2,3,4,4a,5,8,8a-octahydro-7,8a-dimethyl-3-(1-methylvinyl)-1-naphthyl acetate","3-isopropenyl-7,8a-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl acetate",CC(=O)OC1CC(CC2CC=C(C)CC12C)C(=C)C,CC(=O)OC1CC(CC2CC=C(C)CC12C)C(=C)C,"InChI=1/C17H26O2/c1-11(2)14-8-15-7-6-12(3)10-17(15,5)16(9-14)19-13(4)18/h6,14-16H,1,7-10H2,2-5H3",C17H26O2,,,,,,GFFZFLWQIFTRRO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.651,285-446-6,85098-92-6,N-furfurylideneisobutylamine,N-(2-furylmethylene)-2-methylpropan-1-amine,CC(C)CN=Cc1ccco1,CC(C)CN=Cc1ccco1,"InChI=1/C9H13NO/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3",C9H13NO,,,,,,VPYYBUQTJFKWHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.653,285-448-7,85098-94-8,2-methyl-3-(methylthio)-5-(1-methylvinyl)cyclohexyl acetate,5-isopropenyl-2-methyl-3-(methylsulfanyl)cyclohexyl acetate,CSC1CC(CC(OC(=O)C)C1C)C(=C)C,CSC1CC(CC(OC(=O)C)C1C)C(=C)C,"InChI=1/C13H22O2S/c1-8(2)11-6-12(15-10(4)14)9(3)13(7-11)16-5/h9,11-13H,1,6-7H2,2-5H3",C13H22O2S,,,,,,FLWPMNFORXDCSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.656,285-451-3,85098-97-1,"1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] dihydrogen benzene-1,2,4-tricarboxylate",4-{[2-hydroxy-3-(stearoyloxy)propoxy]carbonyl}isophthalic acid,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)c1ccc(cc1C(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)c1ccc(cc1C(=O)O)C(=O)O,"InChI=1/C30H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(32)38-21-24(31)22-39-30(37)25-19-18-23(28(33)34)20-26(25)29(35)36/h18-20,24,31H,2-17,21-22H2,1H3,(H,33,34)(H,35,36)",C30H46O9,,,,,,FYBRATJWVPMOTD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.664,285-460-2,85099-07-6,[(2-hydroxytetradecyl)sulphinyl]acetic acid,[(2-hydroxytetradecyl)sulfinyl]acetic acid,CCCCCCCCCCCCC(O)CS(=O)CC(=O)O,CCCCCCCCCCCCC(O)CS(=O)CC(=O)O,"InChI=1/C16H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-21(20)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)",C16H32O4S,,,,,,QEPDPIFEHYSLMP-UHFFFAOYSA-N,,,,,,,,,,,
100.077.667,285-463-9,85099-10-1,2-[(2-methyl-1-oxoallyl)oxy]ethyl 6-hydroxyhexanoate,2-(methacryloyloxy)ethyl 6-hydroxyhexanoate,CC(=C)C(=O)OCCOC(=O)CCCCCO,CC(=C)C(=O)OCCOC(=O)CCCCCO,"InChI=1/C12H20O5/c1-10(2)12(15)17-9-8-16-11(14)6-4-3-5-7-13/h13H,1,3-9H2,2H3",C12H20O5,,,,,,IHYBDNMNEPKOEB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.672,285-469-1,85099-15-6,"3,3-dimethylbicyclo[2.2.1]heptane-2-propionyl chloride","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propanoyl chloride",CC1(C)C2CCC(C2)C1CCC(=O)Cl,CC1(C)C2CCC(C2)C1CCC(=O)Cl,"InChI=1/C12H19ClO/c1-12(2)9-4-3-8(7-9)10(12)5-6-11(13)14/h8-10H,3-7H2,1-2H3",C12H19ClO,,,,,,KWGLJQORJFWZQV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.678,285-475-4,85099-21-4,"Methacrylic acid, compound with 2-(dimethylamino)ethanol (1:1)",2-methylacrylic acid - 2-(dimethylamino)ethanol (1:1),CN(C)CCO.CC(=C)C(=O)O,CN(C)CCO.CC(=C)C(=O)O,"InChI=1/C4H11NO.C4H6O2/c1-5(2)3-4-6;1-3(2)4(5)6/h6H,3-4H2,1-2H3;1H2,2H3,(H,5,6)",C4H11NO.C4H6O2,,,,,,ASJRTEZPWVREEA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.227,278-373-6,76092-58-5,Calcium bis(thioborate),calcium bis(thioborate),[Ca+2].[Ca+2].[Ca+2].[O-]B([O-])[S-].[O-]B([O-])[S-],[Ca+2].[Ca+2].[Ca+2].[O-]B([O-])[S-].[O-]B([O-])[S-],InChI=1/2BO2S.3Ca/c2*2-1(3)4;;;/q2*-3;3*+2,BHS2.1/2Ca,,,,,,XZNDQUAQPDCWGI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.234,278-380-4,76134-84-4,"(+)-1,2,3,4,4a,9-hexahydro-2-methyldibenzo[c,f]pyrimido[1,6-a]azepine fumarate","2-methyl-1,2,3,4,4a,9-hexahydrodibenzo[c,f]pyrimido[1,6-a]azepine but-2-enedioate",CN1CCC2N(C1)c3ccccc3Cc4ccccc24.OC(=O)\\C=C\\C(=O)O,CN1CCC2N(C1)c3ccccc3Cc4ccccc24.OC(=O)\C=C\C(=O)O,"InChI=1/C18H20N2.C4H4O4/c1-19-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20(18)13-19;5-3(6)1-2-4(7)8/h2-9,18H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)",C18H20N2.C4H4O4,,,,,,GUJPQBJNGCYMEC-WLHGVMLRSA-N,,,,,,,,,,,
100.071.238,278-385-1,76154-40-0,5-(iodomethyl)-2-furaldehyde,5-(iodomethyl)-2-furaldehyde,ICc1oc(C=O)cc1,ICc1oc(C=O)cc1,"InChI=1/C6H5IO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2",C6H5IO2,,,,,,BOQNBJCFILUPHH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.244,278-391-4,76213-94-0,N-[2-[(6-chlorobenzothiazol-2-yl)azo]-5-[(2-cyanoethyl)pentylamino]phenyl]acetamide,"N-{2-[(6-chloro-1,3-benzothiazol-2-yl)diazenyl]-5-[(2-cyanoethyl)(pentyl)amino]phenyl}acetamide",N#CCCN(CCCCC)c3ccc(N=Nc1nc2ccc(Cl)cc2s1)c(NC(C)=O)c3,N#CCCN(CCCCC)c3ccc(N=Nc1nc2ccc(Cl)cc2s1)c(NC(C)=O)c3,"InChI=1/C23H25ClN6OS/c1-3-4-5-12-30(13-6-11-25)18-8-10-19(21(15-18)26-16(2)31)28-29-23-27-20-9-7-17(24)14-22(20)32-23/h7-10,14-15H,3-6,12-13H2,1-2H3,(H,26,31)",C23H25ClN6OS,,,,,,HMQPYUOIUSLRKH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.245,278-393-5,76214-58-9,Ethylnaphthalenesulphonic acid,2-ethylnaphthalene-1-sulfonic acid,CCc1ccc2ccccc2c1S(=O)(=O)O,CCc1ccc2ccccc2c1S(=O)(=O)O,"InChI=1/C12H12O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)16(13,14)15/h3-8H,2H2,1H3,(H,13,14,15)",C12H12O3S,,,,,,JCRMBLKUFLUWPU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.247,278-395-6,76234-43-0,"11ß,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 5-oxo-L-prolinate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 5-oxo-L-prolinate",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)[C@@H]5CCC(=O)N5)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)[C@@H]5CCC(=O)N5)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C26H35NO7/c1-24-9-7-15(28)11-14(24)3-4-16-17-8-10-26(33,25(17,2)12-19(29)22(16)24)20(30)13-34-23(32)18-5-6-21(31)27-18/h11,16-19,22,29,33H,3-10,12-13H2,1-2H3,(H,27,31)",C26H35NO7,,,,,,OJUIYOJRJPVMNW-XNLKTXQHSA-N,,,,,,,,,,,
100.074.635,282-124-7,84100-45-8,"Sodium 3-[2-[[3-[4-(hexadecyloxy)phenyl]-1,3-dioxopropyl]amino]thiazol-4-yl]benzenesulphonate","sodium 3-[2-({3-[4-(hexadecyloxy)phenyl]-3-oxopropanoyl}amino)-1,3-thiazol-4-yl]benzenesulfonate",[Na+].CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc2nc(cs2)c3cccc(c3)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc2nc(cs2)c3cccc(c3)S(=O)(=O)[O-],"InChI=1/C34H46N2O6S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-42-29-21-19-27(20-22-29)32(37)25-33(38)36-34-35-31(26-43-34)28-17-16-18-30(24-28)44(39,40)41;/h16-22,24,26H,2-15,23,25H2,1H3,(H,35,36,38)(H,39,40,41);/q;+1/p-1",C34H46N2O6S2.Na,,,,,,QBXNLZDZGBFMJV-UHFFFAOYSA-M,,,,,,,,,,,
100.074.636,282-125-2,84100-46-9,"3-methyl-3-phenylpentane-1,5-diol","3-methyl-3-phenylpentane-1,5-diol",CC(CCO)(CCO)c1ccccc1,CC(CCO)(CCO)c1ccccc1,"InChI=1/C12H18O2/c1-12(7-9-13,8-10-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3",C12H18O2,,,,,,QIGUSNIFPVCARD-UHFFFAOYSA-N,,,,,,,,,,,
100.074.638,282-127-3,84100-48-1,Methyl N-formyl-N-(1-phenylethyl)glycinate,methyl N-formyl-N-(1-phenylethyl)glycinate,COC(=O)CN(C=O)C(C)c1ccccc1,COC(=O)CN(C=O)C(C)c1ccccc1,"InChI=1/C12H15NO3/c1-10(11-6-4-3-5-7-11)13(9-14)8-12(15)16-2/h3-7,9-10H,8H2,1-2H3",C12H15NO3,,,,,,WRQXFUFVQOQZPB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.639,282-128-9,84100-49-2,2-(chlorophenylmethylene)valeraldehyde,2-[chloro(phenyl)methylene]pentanal,ClC(=C(C=O)CCC)c1ccccc1,ClC(=C(C=O)CCC)c1ccccc1,"InChI=1/C12H13ClO/c1-2-6-11(9-14)12(13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3",C12H13ClO,,,,,,MUMFVCMDWBXRMP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.788,282-293-7,84145-65-3,Disodium 3-hydroxy-5-sulphonato-2-naphthoate,disodium 3-hydroxy-5-sulfonato-2-naphthoate,[Na+].[Na+].Oc1cc2c(cccc2cc1C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc2c(cccc2cc1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C11H8O6S.2Na/c12-9-5-7-6(4-8(9)11(13)14)2-1-3-10(7)18(15,16)17;;/h1-5,12H,(H,13,14)(H,15,16,17);;/q;2*+1/p-2",C11H8O6S.2Na,,,,,,BTJIGRWQKPAMPR-UHFFFAOYSA-L,,,,,,,,,,,
100.074.794,282-300-3,84145-71-1,"Methyl 1,4-dimethyl-1H-pyrrole-2-acetate","methyl (1,4-dimethyl-1H-pyrrol-2-yl)acetate",COC(=O)Cc1cc(C)cn1C,COC(=O)Cc1cc(C)cn1C,"InChI=1/C9H13NO2/c1-7-4-8(10(2)6-7)5-9(11)12-3/h4,6H,5H2,1-3H3",C9H13NO2,,,,,,AQMWRBXTZPSEQF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.796,282-302-4,84145-73-3,"2,6-dimethyl-4-morpholinepropiononitrile","3-(2,6-dimethylmorpholin-4-yl)propanenitrile",CC1CN(CCC#N)CC(C)O1,CC1CN(CCC#N)CC(C)O1,"InChI=1/C9H16N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h8-9H,3,5-7H2,1-2H3",C9H16N2O,,,,,,BEJUPEKPJOPODY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.797,282-304-5,84145-74-4,"2-[3,4-bis(hydroxymethoxy)phenyl]-3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-5-hydroxy-7-(hydroxymethoxy)-4H-1-benzopyran-4-one","2-[3,4-bis(hydroxymethoxy)phenyl]-5-hydroxy-7-(hydroxymethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCO)cc(O)c4C3=O)c5ccc(OCO)c(OCO)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCO)cc(O)c4C3=O)c5ccc(OCO)c(OCO)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C30H36O19/c1-11-20(35)23(38)25(40)29(46-11)42-7-18-21(36)24(39)26(41)30(48-18)49-28-22(37)19-14(34)5-13(43-8-31)6-17(19)47-27(28)12-2-3-15(44-9-32)16(4-12)45-10-33/h2-6,11,18,20-21,23-26,29-36,38-41H,7-10H2,1H3",C30H36O19,,,,,,APVLIPANISQUKE-YYWMDQEHSA-N,,,,,,,,,,,
100.074.799,282-306-6,84145-76-6,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium sulphate (2:1),bis[3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium] sulfate,CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.CNc4ccc5nc6ccc(cc6[s+]c5c4)N(C)C.[O-]S(=O)(=O)[O-],CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.CNc4ccc5nc6ccc(cc6[s+]c5c4)N(C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C15H16N3S.H2O4S/c2*1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;1-5(2,3)4/h2*4-9,16H,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C15H16N3S.1/2O4S,,,,,,GNTPTOBWYVATQD-UHFFFAOYSA-L,,,,,,,,,,,
100.074.803,282-310-8,84145-81-3,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium tetraphenylborate,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium tetraphenylborate(1-),CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.c4ccc(cc4)[B-](c5ccccc5)(c6ccccc6)c7ccccc7,CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.c4ccc(cc4)[B-](c5ccccc5)(c6ccccc6)c7ccccc7,"InChI=1/C24H20B.C15H16N3S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12/h1-20H;4-9,16H,1-3H3/q-1;+1",C24H20B.C15H16N3S,,,,,,UKVJZPVOQCCIDP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.811,282-319-7,84162-60-7,"Pentyl 2-(2,4-dichlorophenoxy)propionate","pentyl 2-(2,4-dichlorophenoxy)propanoate",CCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,CCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C14H18Cl2O3/c1-3-4-5-8-18-14(17)10(2)19-13-7-6-11(15)9-12(13)16/h6-7,9-10H,3-5,8H2,1-2H3",C14H18Cl2O3,,,,,,XDIRDPYCRAUOCD-UHFFFAOYSA-N,,,,,,,,,,,
100.074.812,282-320-2,84162-64-1,"Pentyl 2-(2,4,5-trichlorophenoxy)propionate","pentyl 2-(2,4,5-trichlorophenoxy)propanoate",CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C14H17Cl3O3/c1-3-4-5-6-19-14(18)9(2)20-13-8-11(16)10(15)7-12(13)17/h7-9H,3-6H2,1-2H3",C14H17Cl3O3,,,,,,SZBKTVIRGPPGAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.822,282-331-2,84176-65-8,"6,7-diisopropylpteridine-2,4-diamine phosphate","6,7-diisopropylpteridine-2,4-diamine phosphate",OP(O)(=O)O.CC(C)c1nc2c(nc1C(C)C)nc(N)nc2N,OP(O)(=O)O.CC(C)c1nc2c(nc1C(C)C)nc(N)nc2N,"InChI=1/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)",C12H18N6.H3O4P,,,,,,YNQBQYASRYRNRY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.676,252-459-3,35241-55-5,"1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one","1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one",COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1,"InChI=1/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3",C16H16O4,,,,,,MDMCODCJMHTFIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.679,252-463-5,35245-26-2,3-[[(2-methylphenyl)amino]carbonyl]-2-naphthyl chloroacetate,3-[(2-methylphenyl)carbamoyl]-2-naphthyl chloroacetate,Cc1ccccc1NC(=O)c2cc3ccccc3cc2OC(=O)CCl,Cc1ccccc1NC(=O)c2cc3ccccc3cc2OC(=O)CCl,"InChI=1/C20H16ClNO3/c1-13-6-2-5-9-17(13)22-20(24)16-10-14-7-3-4-8-15(14)11-18(16)25-19(23)12-21/h2-11H,12H2,1H3,(H,22,24)",C20H16ClNO3,,,,,,FMVKYSCWHDVMGO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.680,252-464-0,35252-87-0,5-chloro-6-methyl-3-(tetrahydro-2H-pyran-2-yl)uracil,"5-chloro-6-methyl-3-(tetrahydro-2H-pyran-2-yl)pyrimidine-2,4(1H,3H)-dione",CC1=C(Cl)C(=O)N(C2CCCCO2)C(=O)N1,CC1=C(Cl)C(=O)N(C2CCCCO2)C(=O)N1,"InChI=1/C10H13ClN2O3/c1-6-8(11)9(14)13(10(15)12-6)7-4-2-3-5-16-7/h7H,2-5H2,1H3,(H,12,15)",C10H13ClN2O3,,,,,,UWOPKGUIQOULAE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.682,252-466-1,35254-10-5,"2-(2-hydroxypropyl)-5-methoxy-1H-xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione","2-(2-hydroxypropyl)-5-methoxy-1H-benzo[3,4]isochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione",COc1cc2C(=O)N(CC(C)O)C(=O)c3ccc4c5ccccc5Oc1c4c23,COc1cc2C(=O)N(CC(C)O)C(=O)c3ccc4c5ccccc5Oc1c4c23,"InChI=1/C22H17NO5/c1-11(24)10-23-21(25)14-8-7-13-12-5-3-4-6-16(12)28-20-17(27-2)9-15(22(23)26)18(14)19(13)20/h3-9,11,24H,10H2,1-2H3",C22H17NO5,,,,,,WEYUBYRKSDCJAH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.687,252-471-9,35265-04-4,2-[(1-methylpropyl)amino]ethanol,2-(sec-butylamino)ethanol,CCC(C)NCCO,CCC(C)NCCO,"InChI=1/C6H15NO/c1-3-6(2)7-4-5-8/h6-8H,3-5H2,1-2H3",C6H15NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12064,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.687,YTVUVYDVQNALCM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.696,252-481-3,35277-23-7,"[[3,6,9,12-tetrakis(phosphonomethyl)-3,6,9,12-tetraazatetradecane-1,14-diyl]bis[nitrilobis(methylene)]]tetrakisphosphonic acid","[2-{2-[bis(phosphonomethyl)amino]ethyl}-16,16-dihydroxy-16-oxido-5,8,11,14-tetrakis(phosphonomethyl)-2,5,8,11,14-pentaaza-16-phosphahexadec-1-yl]phosphonic acid (non-preferred name)",OP(=O)(O)CN(CCN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CCN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C18H52N6O24P8/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)",C18H52N6O24P8,,,,,,VFRQPCYDJZQZPV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.698,252-483-4,35279-24-4,4-methoxy-a-methylbenzyl propionate,1-(4-methoxyphenyl)ethyl propionate,CCC(=O)OC(C)c1ccc(OC)cc1,CCC(=O)OC(C)c1ccc(OC)cc1,"InChI=1/C12H16O3/c1-4-12(13)15-9(2)10-5-7-11(14-3)8-6-10/h5-9H,4H2,1-3H3",C12H16O3,,,,,,WNHUSXOIBXEAMM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.699,252-485-5,35280-53-6,2-hydroxyethyl chloroacetate,2-hydroxyethyl chloroacetate,OCCOC(=O)CCl,OCCOC(=O)CCl,"InChI=1/C4H7ClO3/c5-3-4(7)8-2-1-6/h6H,1-3H2",C4H7ClO3,,,,,,JUHXSFLHDUCNCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.703,252-489-7,35288-13-2,4-cyclohexyl-<U+03B3>-oxobenzenebutyric acid,4-(4-cyclohexylphenyl)-4-oxobutanoic acid,OC(=O)CCC(=O)c1ccc(cc1)C2CCCCC2,OC(=O)CCC(=O)c1ccc(cc1)C2CCCCC2,"InChI=1/C16H20O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,18,19)",C16H20O3,,,,,,QFDYKCAHHQKPSB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.704,252-490-2,35289-31-7,Dodec-11-enol,dodec-11-en-1-ol,OCCCCCCCCCCC=C,OCCCCCCCCCCC=C,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,13H,1,3-12H2",C12H24O,,,,,,QNXYZQSFDTZEBK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.706,252-492-3,35293-35-7,Chloro(2-methyl-2-phenylpropyl)magnesium,chloro(2-methyl-2-phenylpropyl)magnesium,CC(C)(C[Mg]Cl)c1ccccc1,CC(C)(C[Mg]Cl)c1ccccc1,"InChI=1/C10H13.ClH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,1H2,2-3H3;1H;/q;;+1/p-1/rC10H13ClMg/c1-10(2,8-12-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",C10H13ClMg,,,,,,BXKYFONHSSFLKR-UHFFFAOYSA-M,,,,,,,,,,,
100.047.707,252-493-9,35294-62-3,"Sodium [4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonate","sodium 6-methyl-2-{4-[(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonate",[Na+].O=C4NC(=O)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O,[Na+].O=C4NC(=O)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O,"InChI=1/C18H13N5O6S2.Na/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25;/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26);/q;+1/p-1",C18H13N5O6S2.Na,,,,,,AKCDCAQDDVLGOI-UHFFFAOYSA-M,,,,,,,,,,,
100.047.711,252-498-6,35298-13-6,Nonylbenzenesulphonic acid,2-nonylbenzenesulfonic acid,CCCCCCCCCc1ccccc1S(=O)(=O)O,CCCCCCCCCc1ccccc1S(=O)(=O)O,"InChI=1/C15H24O3S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H,16,17,18)",C15H24O3S,,,,,,IVMUPSZAZLJPIM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.864,282-377-3,84195-71-1,"Disodium 1,1'-iminobis(ethanesulphinate)","disodium 1,1'-iminodiethanesulfinate",[Na+].[Na+].CC(NC(C)S(=O)[O-])S(=O)[O-],[Na+].[Na+].CC(NC(C)S(=O)[O-])S(=O)[O-],"InChI=1/C4H11NO4S2.2Na/c1-3(10(6)7)5-4(2)11(8)9;;/h3-5H,1-2H3,(H,6,7)(H,8,9);;/q;2*+1/p-2",C4H11NO4S2.2Na,,,,,,NHHRUZPQWSHQCJ-UHFFFAOYSA-L,,,,,,,,,,,
100.074.867,282-381-5,84195-74-4,"2,2-dimethyl-1,3-bis(vinyloxy)propane","2,2-dimethyl-1,3-bis(vinyloxy)propane",CC(C)(COC=C)COC=C,CC(C)(COC=C)COC=C,"InChI=1/C9H16O2/c1-5-10-7-9(3,4)8-11-6-2/h5-6H,1-2,7-8H2,3-4H3",C9H16O2,,,,,,AITKNDQVEUUYHE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.870,282-384-1,84195-77-7,"2,4-bis[2-[4-(dimethylamino)phenyl]vinyl]-1-ethylpyridinium iodide","2,4-bis{2-[4-(dimethylamino)phenyl]vinyl}-1-ethylpyridinium iodide",[I-].CC[n+]1ccc(\\C=C\\c2ccc(cc2)N(C)C)cc1\\C=C\\c3ccc(cc3)N(C)C,[I-].CC[n+]1ccc(\C=C\c2ccc(cc2)N(C)C)cc1\C=C\c3ccc(cc3)N(C)C,"InChI=1/C27H32N3.HI/c1-6-30-20-19-24(8-7-22-9-14-25(15-10-22)28(2)3)21-27(30)18-13-23-11-16-26(17-12-23)29(4)5;/h7-21H,6H2,1-5H3;1H/q+1;/p-1",C27H32N3.I,,,,,,XPRYLWBGHVPGNC-UHFFFAOYSA-M,,,,,,,,,,,
100.076.872,284-589-1,84930-09-6,Ethyl 3-[2-(1-oxopropoxy)phenyl]acrylate,ethyl 3-[2-(propionyloxy)phenyl]acrylate,CCOC(=O)\\C=C\\c1ccccc1OC(=O)CC,CCOC(=O)\C=C\c1ccccc1OC(=O)CC,"InChI=1/C14H16O4/c1-3-13(15)18-12-8-6-5-7-11(12)9-10-14(16)17-4-2/h5-10H,3-4H2,1-2H3",C14H16O4,,,,,,PRRONMLGRGYZHU-MDZDMXLPSA-N,,,,,,,,,,,
100.071.502,278-675-8,77372-61-3,Valproate pivoxil,"[(2,2-dimethylpropanoyl)oxy]methyl 2-propylpentanoate",CCCC(CCC)C(=O)OCOC(=O)C(C)(C)C,CCCC(CCC)C(=O)OCOC(=O)C(C)(C)C,"InChI=1/C14H26O4/c1-6-8-11(9-7-2)12(15)17-10-18-13(16)14(3,4)5/h11H,6-10H2,1-5H3",C14H26O4,,,,,,DJEFRLDEQKSNLM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.504,278-677-9,77376-18-2,1-[(allyloxy)methyl]ethylene diacetoacetate,"3-(allyloxy)propane-1,2-diyl bis(3-oxobutanoate)",CC(=O)CC(=O)OCC(COCC=C)OC(=O)CC(=O)C,CC(=O)CC(=O)OCC(COCC=C)OC(=O)CC(=O)C,"InChI=1/C14H20O7/c1-4-5-19-8-12(21-14(18)7-11(3)16)9-20-13(17)6-10(2)15/h4,12H,1,5-9H2,2-3H3",C14H20O7,,,,,,OIXNSZFKABMIDN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.509,278-683-1,77403-77-1,"Propane-1,3-diyl bis(bromoacetate)","propane-1,3-diyl bis(bromoacetate)",BrCC(=O)OCCCOC(=O)CBr,BrCC(=O)OCCCOC(=O)CBr,InChI=1/C7H10Br2O4/c8-4-6(10)12-2-1-3-13-7(11)5-9/h1-5H2,C7H10Br2O4,,,,,,OLJMMTCILHIUQT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.512,278-686-8,77440-06-3,(Z)-N-(aminoiminomethyl)-9-octadecenamide,N-carbamimidoyloctadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NC(=N)N,CCCCCCCC\C=C/CCCCCCCC(=O)NC(=N)N,"InChI=1/C19H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)22-19(20)21/h9-10H,2-8,11-17H2,1H3,(H4,20,21,22,23)",C19H37N3O,,,,,,LQOKVZCMNWWTOK-KTKRTIGZSA-N,,,,,,,,,,,
100.071.513,278-687-3,77440-12-1,N-amidinohexadecan-1-amide,N-carbamimidoylhexadecanamide,CCCCCCCCCCCCCCCC(=O)NC(=N)N,CCCCCCCCCCCCCCCC(=O)NC(=N)N,"InChI=1/C17H35N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)20-17(18)19/h2-15H2,1H3,(H4,18,19,20,21)",C17H35N3O,,,,,,FZRXCLHQDTTZPN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.524,278-699-9,77497-44-0,Diphenylmethyl 2-(aminooxy)-2-methylpropionate,diphenylmethyl 2-(aminooxy)-2-methylpropanoate,CC(C)(ON)C(=O)OC(c1ccccc1)c2ccccc2,CC(C)(ON)C(=O)OC(c1ccccc1)c2ccccc2,"InChI=1/C17H19NO3/c1-17(2,21-18)16(19)20-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,18H2,1-2H3",C17H19NO3,,,,,,QRRMFTHXRXKGRY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.525,278-700-2,77497-47-3,"2-amino-a-[[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino]thiazol-4-acetic acid","(2-amino-1,3-thiazol-4-yl){[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino}acetic acid",Nc1nc(cs1)C(=NOC(C)(C)C(=O)OC(c2ccccc2)c3ccccc3)C(O)=O,Nc1nc(cs1)C(=NOC(C)(C)C(=O)OC(c2ccccc2)c3ccccc3)C(O)=O,"InChI=1/C22H21N3O5S/c1-22(2,30-25-17(19(26)27)16-13-31-21(23)24-16)20(28)29-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18H,1-2H3,(H2,23,24)(H,26,27)",C22H21N3O5S,,,,,,BCIYLYBVFPCPST-UHFFFAOYSA-N,,,,,,,,,,,
100.071.532,278-708-6,77516-54-2,2-amino-N-cyclohexylbenzenesulphonamide,2-amino-N-cyclohexylbenzenesulfonamide,Nc1ccccc1S(=O)(=O)NC2CCCCC2,Nc1ccccc1S(=O)(=O)NC2CCCCC2,"InChI=1/C12H18N2O2S/c13-11-8-4-5-9-12(11)17(15,16)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7,13H2",C12H18N2O2S,,,,,,TUENGZHHNXAVMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.827,280-133-0,83022-58-6,1-[4-(difluoromethoxy)phenyl]propan-1-one,1-[4-(difluoromethoxy)phenyl]propan-1-one,CCC(=O)c1ccc(OC(F)F)cc1,CCC(=O)c1ccc(OC(F)F)cc1,"InChI=1/C10H10F2O2/c1-2-9(13)7-3-5-8(6-4-7)14-10(11)12/h3-6,10H,2H2,1H3",C10H10F2O2,,,,,,NKRQQCHFLGGBJT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.834,280-140-9,83027-38-7,"Trisodium 5,8-bis[(2,6-diethyl-4-methyl-3-sulphonatophenyl)amino]-9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate","trisodium 5,8-bis[(2,6-diethyl-4-methyl-3-sulfonatophenyl)amino]-1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].CCc1cc(C)c(c(CC)c1Nc2ccc(Nc3c(CC)cc(C)c(c3CC)S(=O)(=O)[O-])c4C(=O)c5c(O)c(cc(O)c5C(=O)c24)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].CCc1cc(C)c(c(CC)c1Nc2ccc(Nc3c(CC)cc(C)c(c3CC)S(=O)(=O)[O-])c4C(=O)c5c(O)c(cc(O)c5C(=O)c24)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C36H38N2O13S3.3Na/c1-7-18-13-16(5)35(53(46,47)48)20(9-3)30(18)37-22-11-12-23(38-31-19(8-2)14-17(6)36(21(31)10-4)54(49,50)51)27-26(22)33(41)28-24(39)15-25(52(43,44)45)32(40)29(28)34(27)42;;;/h11-15,37-40H,7-10H2,1-6H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C36H38N2O13S3.3Na,,,,,,GWRVNGCWBZYRAZ-UHFFFAOYSA-K,,,,,,,,,,,
100.072.876,280-187-5,83049-04-1,2-[ethyl[4-[(2-methoxy-4-nitrophenyl)azo]phenyl]amino]ethyl acetate,2-(ethyl{4-[(2-methoxy-4-nitrophenyl)diazenyl]phenyl}amino)ethyl acetate,COc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOC(C)=O)[N+]([O-])=O,COc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C19H22N4O5/c1-4-22(11-12-28-14(2)24)16-7-5-15(6-8-16)20-21-18-10-9-17(23(25)26)13-19(18)27-3/h5-10,13H,4,11-12H2,1-3H3",C19H22N4O5,,,,,,JQLUGSHCBLKZEY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.882,280-193-8,83137-14-8,"Pentasodium 4-amino-6-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","pentasodium 4-amino-6-[(5-{[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazenyl]-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(OCCOCC)n5,[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(OCCOCC)n5,"InChI=1/C29H26ClN9O18S5.5Na/c1-2-56-7-8-57-29-34-27(30)33-28(35-29)32-14-3-5-18(59(44,45)46)16(11-14)36-39-25-21(62(53,54)55)10-13-9-20(61(50,51)52)24(23(31)22(13)26(25)40)38-37-17-12-15(58(41,42)43)4-6-19(17)60(47,48)49;;;;;/h3-6,9-12,40H,2,7-8,31H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,32,33,34,35);;;;;/q;5*+1/p-5",C29H26ClN9O18S5.5Na,,,,,,OHKMYCSVSRZSEM-UHFFFAOYSA-I,,,,,,,,,,,
100.072.886,280-198-5,83150-78-1,"(R)-a,a,4-trimethylcyclohex-3-ene-1-methanethiol",2-(4-methylcyclohex-3-en-1-yl)propane-2-thiol,CC1=CC[C@@H](CC1)C(C)(C)S,CC1=CC[C@@H](CC1)C(C)(C)S,"InChI=1/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",C10H18S,,,,,,ZQPCOAKGRYBBMR-VIFPVBQESA-N,,,,,,,,,,,
100.073.065,280-395-6,83399-82-0,"Barium 3-hydroxy-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2,7-disulphonate","barium 3-hydroxy-4-[(2,4,5-trichlorophenyl)diazenyl]naphthalene-2,7-disulfonate",[Ba+2].Clc3cc(N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)cc3Cl,[Ba+2].Clc3cc(N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)cc3Cl,"InChI=1/C16H9Cl3N2O7S2.Ba/c17-10-5-12(19)13(6-11(10)18)20-21-15-9-2-1-8(29(23,24)25)3-7(9)4-14(16(15)22)30(26,27)28;/h1-6,22H,(H,23,24,25)(H,26,27,28);/q;+2/p-2",C16H9Cl3N2O7S2.Ba,,,,,,XESRMLHAOKZABI-UHFFFAOYSA-L,,,,,,,,,,,
100.073.067,280-397-7,83399-84-2,"2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-[[3-(cyclohexylamino)propyl]imino]-N-phenylbutyramide]","2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-{[3-(cyclohexylamino)propyl]imino}-N-phenylbutanamide)",CC(=NCCCNC1CCCCC1)C(N=Nc2ccc(cc2Cl)c5ccc(N=NC(C(=O)Nc3ccccc3)C(C)=NCCCNC4CCCCC4)c(Cl)c5)C(=O)Nc6ccccc6,CC(=NCCCNC1CCCCC1)C(N=Nc2ccc(cc2Cl)c5ccc(N=NC(C(=O)Nc3ccccc3)C(C)=NCCCNC4CCCCC4)c(Cl)c5)C(=O)Nc6ccccc6,"InChI=1/C50H62Cl2N10O2/c1-35(53-29-15-31-55-39-17-7-3-8-18-39)47(49(63)57-41-21-11-5-12-22-41)61-59-45-27-25-37(33-43(45)51)38-26-28-46(44(52)34-38)60-62-48(50(64)58-42-23-13-6-14-24-42)36(2)54-30-16-32-56-40-19-9-4-10-20-40/h5-6,11-14,21-28,33-34,39-40,47-48,55-56H,3-4,7-10,15-20,29-32H2,1-2H3,(H,57,63)(H,58,64)",C50H62Cl2N10O2,,,,,,NEJSIFAPFQIQIP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.921,282-440-5,84208-39-9,Methyl 4-chloro-2-(hydroxyimino)-3-oxobutyrate,methyl 4-chloro-2-(hydroxyimino)-3-oxobutanoate,COC(=O)C(=NO)C(=O)CCl,COC(=O)C(=NO)C(=O)CCl,"InChI=1/C5H6ClNO4/c1-11-5(9)4(7-10)3(8)2-6/h10H,2H2,1H3",C5H6ClNO4,,,,,,KLGXQPPSXDXRGK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.922,282-441-0,84209-30-3,Diethyl (chlorocarbonyloxy)methylmalonate,diethyl [(chlorocarbonyl)oxy](methyl)malonate,CCOC(=O)C(C)(OC(=O)Cl)C(=O)OCC,CCOC(=O)C(C)(OC(=O)Cl)C(=O)OCC,"InChI=1/C9H13ClO6/c1-4-14-6(11)9(3,16-8(10)13)7(12)15-5-2/h4-5H2,1-3H3",C9H13ClO6,,,,,,VGLFNWSQUOWJQL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.937,282-457-8,84215-51-0,"3-[(2-furyl)hydroxymethyl]hexane-2,5-dione","3-[2-furyl(hydroxy)methyl]hexane-2,5-dione",CC(=O)CC(C(O)c1occc1)C(=O)C,CC(=O)CC(C(O)c1occc1)C(=O)C,"InChI=1/C11H14O4/c1-7(12)6-9(8(2)13)11(14)10-4-3-5-15-10/h3-5,9,11,14H,6H2,1-2H3",C11H14O4,,,,,,LACIYQDZSCPPHT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.684,285-482-2,85099-27-0,2-chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium hexafluorophosphate,2-chloro-5-methoxy-4-(pyridin-2-ylamino)benzenediazonium hexafluorophosphate,COc1cc([N+]#N)c(Cl)cc1Nc2ccccn2.F[P-](F)(F)(F)(F)F,COc1cc([N+]#N)c(Cl)cc1Nc2ccccn2.F[P-](F)(F)(F)(F)F,"InChI=1/C12H10ClN4O.F6P/c1-18-11-7-9(17-14)8(13)6-10(11)16-12-4-2-3-5-15-12;1-7(2,3,4,5)6/h2-7H,1H3,(H,15,16);/q+1;-1",C12H10ClN4O.F6P,,,,,,FBFVLFJYBJMVHR-UHFFFAOYSA-N,,,,,,,,,,,
100.077.686,285-484-3,85099-29-2,4-[bis(benzyl)amino]-3-ethoxybenzenediazonium hexafluorophosphate,4-(dibenzylamino)-3-ethoxybenzenediazonium hexafluorophosphate,CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N.F[P-](F)(F)(F)(F)F,CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C22H22N3O.F6P/c1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;1-7(2,3,4,5)6/h3-15H,2,16-17H2,1H3;/q+1;-1",C22H22N3O.F6P,,,,,,XXHWLTHTARBRNF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.694,285-493-2,85099-37-2,2-ethoxy-5-hydrazinobenzenesulphonic acid,2-ethoxy-5-hydrazinobenzenesulfonic acid,CCOc1ccc(NN)cc1S(=O)(=O)O,CCOc1ccc(NN)cc1S(=O)(=O)O,"InChI=1/C8H12N2O4S/c1-2-14-7-4-3-6(10-9)5-8(7)15(11,12)13/h3-5,10H,2,9H2,1H3,(H,11,12,13)",C8H12N2O4S,,,,,,VNVDWWIHAKFXCI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.823,282-332-8,84176-66-9,"2-fluoro-4-pentylphenyl 4'-heptyl[1,1'-biphenyl]-4-carboxylate",2-fluoro-4-pentylphenyl 4'-heptylbiphenyl-4-carboxylate,CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(CCCCC)cc3F,CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(CCCCC)cc3F,"InChI=1/C31H37FO2/c1-3-5-7-8-10-11-24-13-16-26(17-14-24)27-18-20-28(21-19-27)31(33)34-30-22-15-25(23-29(30)32)12-9-6-4-2/h13-23H,3-12H2,1-2H3",C31H37FO2,,,,,,WXBFYDUGSIDWBY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.866,284-582-3,84930-02-9,Ethyl hydrogen diethylmalonate,2-(ethoxycarbonyl)-2-ethylbutanoic acid,CCOC(=O)C(CC)(CC)C(=O)O,CCOC(=O)C(CC)(CC)C(=O)O,"InChI=1/C9H16O4/c1-4-9(5-2,7(10)11)8(12)13-6-3/h4-6H2,1-3H3,(H,10,11)",C8H14O4,,,,,,YCRBCOUDRCZAGP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.719,278-914-6,78473-00-4,"4-amino-3,5-dichlorobenzonitrile","4-amino-3,5-dichlorobenzonitrile",Nc1c(Cl)cc(cc1Cl)C#N,Nc1c(Cl)cc(cc1Cl)C#N,"InChI=1/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2",C7H4Cl2N2,,,,,,COFNCCWGWXFACE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.720,278-915-1,78473-06-0,"2-[3-(dimethylamino)-2,2-dimethylpropyl]-6-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dione","2-[3-(dimethylamino)-2,2-dimethylpropyl]-6-methoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",COc1ccc2C(=O)N(CC(C)(C)CN(C)C)C(=O)c3cccc1c23,COc1ccc2C(=O)N(CC(C)(C)CN(C)C)C(=O)c3cccc1c23,"InChI=1/C20H24N2O3/c1-20(2,11-21(3)4)12-22-18(23)14-8-6-7-13-16(25-5)10-9-15(17(13)14)19(22)24/h6-10H,11-12H2,1-5H3",C20H24N2O3,,,,,,XRVZSZJURDQLRU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.721,278-916-7,78476-44-5,"Dihydro-6-thioxo-2H-1,3,5-thiadiazine-2,4(3H)-dione","6-thioxo-1,3,5-thiadiazinane-2,4-dione",O=C1NC(=O)SC(=S)N1,O=C1NC(=O)SC(=S)N1,"InChI=1/C3H2N2O2S2/c6-1-4-2(7)9-3(8)5-1/h(H2,4,5,6,7,8)",C3H2N2O2S2,,,,,,KTCNKXGSWSEDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.731,278-927-7,78480-23-6,2-ethylhexyl 4-[[[[4-[[(2-ethylhexyl)oxy]carbonyl]phenyl]amino]methylene]amino]benzoate,2-ethylhexyl 4-({[(4-{[(2-ethylhexyl)oxy]carbonyl}phenyl)amino]methylene}amino)benzoate,CCC(CCCC)COC(=O)c2ccc(NC=Nc1ccc(cc1)C(=O)OCC(CC)CCCC)cc2,CCC(CCCC)COC(=O)c2ccc(NC=Nc1ccc(cc1)C(=O)OCC(CC)CCCC)cc2,"InChI=1/C31H44N2O4/c1-5-9-11-24(7-3)21-36-30(34)26-13-17-28(18-14-26)32-23-33-29-19-15-27(16-20-29)31(35)37-22-25(8-4)12-10-6-2/h13-20,23-25H,5-12,21-22H2,1-4H3,(H,32,33)",C31H44N2O4,,,,,,PKKUYZUMEURUIE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.733,278-929-8,78504-61-7,4-(dimethylamino)-3-(4-pyridyl)-3-buten-2-one,4-(dimethylamino)-3-pyridin-4-ylbut-3-en-2-one,CC(=O)C(=CN(C)C)c1ccncc1,CC(=O)C(=CN(C)C)c1ccncc1,"InChI=1/C11H14N2O/c1-9(14)11(8-13(2)3)10-4-6-12-7-5-10/h4-8H,1-3H3",C11H14N2O,,,,,,QEJJLSDONYSIPV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.742,278-939-2,78532-50-0,"6-chloro-N-cyclohexyl-1,3,5-triazine-2,4-diamine","6-chloro-N-cyclohexyl-1,3,5-triazine-2,4-diamine",Nc1nc(Cl)nc(NC2CCCCC2)n1,Nc1nc(Cl)nc(NC2CCCCC2)n1,"InChI=1/C9H14ClN5/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h6H,1-5H2,(H3,11,12,13,14,15)",C9H14ClN5,,,,,,BOFRFKAQZXMADZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.743,278-940-8,78535-49-6,"5-oxo-DL-proline, compound with ethyl N2-lauroyl-L-lysinate (1:1)",5-oxo-L-proline - ethyl N~2~-dodecanoyl-L-lysinate (1:1),CCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C20H40N2O3.C5H7NO3/c1-3-5-6-7-8-9-10-11-12-16-19(23)22-18(15-13-14-17-21)20(24)25-4-2;7-4-2-1-3(6-4)5(8)9/h18H,3-17,21H2,1-2H3,(H,22,23);3H,1-2H2,(H,6,7)(H,8,9)",C20H40N2O3.C5H7NO3,,,,,,RIYUNYCKKWHMRV-ZZAUXRJKSA-N,,,,,,,,,,,
100.071.745,278-942-9,78543-06-3,Diethyl (3-fluoro-4-nitrophenyl)methylmalonate,diethyl (3-fluoro-4-nitrophenyl)(methyl)malonate,CCOC(=O)C(C)(C(=O)OCC)c1ccc(c(F)c1)[N+](=O)[O-],CCOC(=O)C(C)(C(=O)OCC)c1ccc(c(F)c1)[N+](=O)[O-],"InChI=1/C14H16FNO6/c1-4-21-12(17)14(3,13(18)22-5-2)9-6-7-11(16(19)20)10(15)8-9/h6-8H,4-5H2,1-3H3",C14H16FNO6,,,,,,VHMVOAWAZZEEPH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.746,278-943-4,78543-08-5,Diethyl (4-amino-3-fluorophenyl)methylmalonate,diethyl (4-amino-3-fluorophenyl)(methyl)malonate,CCOC(=O)C(C)(C(=O)OCC)c1ccc(N)c(F)c1,CCOC(=O)C(C)(C(=O)OCC)c1ccc(N)c(F)c1,"InChI=1/C14H18FNO4/c1-4-19-12(17)14(3,13(18)20-5-2)9-6-7-11(16)10(15)8-9/h6-8H,4-5,16H2,1-3H3",C14H18FNO4,,,,,,AXSSLCGWLSGEET-UHFFFAOYSA-N,,,,,,,,,,,
100.071.749,278-947-6,78560-45-9,"Trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane","trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl,"InChI=1/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2",C8H4Cl3F13Si,,,,,,PISDRBMXQBSCIP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.645,282-135-7,84100-55-0,"2,3-dihydro-6-nitroimidazo[2,1-b]benzothiazole","6-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazole",[O-][N+](=O)c1ccc2SC3=NCCN3c2c1,[O-][N+](=O)c1ccc2SC3=NCCN3c2c1,"InChI=1/C9H7N3O2S/c13-12(14)6-1-2-8-7(5-6)11-4-3-10-9(11)15-8/h1-2,5H,3-4H2",C9H7N3O2S,,,,,,VCOKDIGXZMLYQD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.712,252-499-1,35302-14-8,"N,N'-dicyclohexyl-6-(diethylamino)-1,3,5-triazine-2,4-disulphenamide","4,6-bis[(cyclohexylamino)sulfanyl]-N,N-diethyl-1,3,5-triazin-2-amine",CCN(CC)c1nc(SNC2CCCCC2)nc(SNC3CCCCC3)n1,CCN(CC)c1nc(SNC2CCCCC2)nc(SNC3CCCCC3)n1,"InChI=1/C19H34N6S2/c1-3-25(4-2)17-20-18(26-23-15-11-7-5-8-12-15)22-19(21-17)27-24-16-13-9-6-10-14-16/h15-16,23-24H,3-14H2,1-2H3",C19H34N6S2,,,,,,JPLINCBENVLYRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.860,254-865-6,40265-98-3,4-oxo-4-[[4-[(2-pyridylamino)sulphonyl]phenyl]amino]butyric acid,4-oxo-4-{[4-(pyridin-2-ylsulfamoyl)phenyl]amino}butanoic acid,OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,"InChI=1/C15H15N3O5S/c19-14(8-9-15(20)21)17-11-4-6-12(7-5-11)24(22,23)18-13-3-1-2-10-16-13/h1-7,10H,8-9H2,(H,16,18)(H,17,19)(H,20,21)",C15H15N3O5S,,,,,,CGGZDBFPDDGFMM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.861,254-866-1,40265-99-4,4-oxo-4-[[4-[(2-pyridylamino)sulphonyl]phenyl]amino]isocrotonic acid,4-oxo-4-{[4-(pyridin-2-ylsulfamoyl)phenyl]amino}but-2-enoic acid,OC(=O)\\C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,OC(=O)\C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,"InChI=1/C15H13N3O5S/c19-14(8-9-15(20)21)17-11-4-6-12(7-5-11)24(22,23)18-13-3-1-2-10-16-13/h1-10H,(H,16,18)(H,17,19)(H,20,21)",C15H13N3O5S,,,,,,PZDUWVNSUTYFQA-HJWRWDBZSA-N,,,,,,,,,,,
100.049.865,254-870-3,40290-32-2,"(±)-1-(hydroxymethyl)ethane-1,2-diyl dipalmitate","3-hydroxypropane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",C35H68O5,,,,,,JEJLGIQLPYYGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.874,254-880-8,40316-60-7,"3,4-dihydro-2H-1-benzothiopyran-4-ol",thiochroman-4-ol,OC1CCSc2ccccc12,OC1CCSc2ccccc12,"InChI=1/C9H10OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2",C9H10OS,,,,,,FWVSZXYNCFXKRT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.375,256-531-5,50306-03-1,"(-)-4-amino-a-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol","1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol",CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",C12H18Cl2N2O,,,,,,STJMRWALKKWQGH-UHFFFAOYSA-N,Positive,AU109901;EQ359201|EQ359202|EQ359203|EQ359204|EQ359205|EQ359206|EQ359207|EQ359208|EQ359209,[M+H]+;[M+H]+,CID20.8-31.2;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,203.0147:205.0116:132.0684;259.0761:203.0136:277.0867|203.0135:259.0762:57.0698|203.0136:132.0681:168.0448|132.0681:168.0448:167.037|132.0681:168.0447:167.037|132.0682:168.0448:140.0261|140.0261:132.0682:104.0494|104.0494:140.0261:131.0604|104.0494:95.0491:89.0386,Athens_Univ;Eawag,,,,,
100.051.376,256-532-0,50310-83-3,"(+)-4-amino-a-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol hydrochloride","1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride",Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H",C12H18Cl2N2O.xClH,,,,,,OPXKTCUYRHXSBK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.378,256-534-1,50312-64-6,(aminomethyl)phenol,2-(aminomethyl)phenol,NCc1ccccc1O,NCc1ccccc1O,"InChI=1/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2",C7H9NO,,,,,,KPRZOPQOBJRYSW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.386,256-543-0,50326-33-5,Barium bis[6-chloro-4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]toluene-3-sulphonate],barium bis[4-chloro-2-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)-5-methylbenzenesulfonate],[Ba+2].Cc1cc(c(cc1Cl)N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2OC)c3O)S([O-])(=O)=O.COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O)c3O,[Ba+2].Cc1cc(c(cc1Cl)N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2OC)c3O)S([O-])(=O)=O.COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O)c3O,"InChI=1/2C25H20ClN3O6S.Ba/c2*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h2*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;+2/p-2",C25H20ClN3O6S.1/2Ba,,,,,,XWGSKVKPXMKRQI-UHFFFAOYSA-L,,,,,,,,,,,
100.051.389,256-546-7,50329-01-6,"3-chloro-4-(2,4-dichlorobenzyl)anilinium chloride","3-chloro-4-(2,4-dichlorobenzyl)anilinium chloride",[Cl-].[NH3+]c1ccc(Cc2ccc(Cl)cc2Cl)c(Cl)c1,[Cl-].[NH3+]c1ccc(Cc2ccc(Cl)cc2Cl)c(Cl)c1,"InChI=1/C13H10Cl3N.ClH/c14-10-3-1-8(12(15)6-10)5-9-2-4-11(17)7-13(9)16;/h1-4,6-7H,5,17H2;1H",C13H10Cl3N.ClH,,,,,,AJWGXSLEDMFOKX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.394,256-551-4,50353-66-7,1-p-tolylsemicarbazide,2-(4-methylphenyl)hydrazinecarboxamide,Cc1ccc(NNC(=O)N)cc1,Cc1ccc(NNC(=O)N)cc1,"InChI=1/C8H11N3O/c1-6-2-4-7(5-3-6)10-11-8(9)12/h2-5,10H,1H3,(H3,9,11,12)",C8H11N3O,,,,,,ZYKTTXOTZLXBES-UHFFFAOYSA-N,,,,,,,,,,,
100.051.399,256-557-7,50373-36-9,"(±)-(1a,2ß,5a)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol",2-isopropenyl-5-methylcyclohexanol,CC1CCC(C(O)C1)C(=C)C,CC1CCC(C(O)C1)C(=C)C,"InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3",C10H18O,,,,,,ZYTMANIQRDEHIO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.401,256-559-8,50373-60-9,"(±)-3,7-dimethyloct-6-en-3-yl acetate","1-ethyl-1,5-dimethylhex-4-en-1-yl acetate",CCC(C)(CCC=C(C)C)OC(=O)C,CCC(C)(CCC=C(C)C)OC(=O)C,"InChI=1/C12H22O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h8H,6-7,9H2,1-5H3",C12H22O2,,,,,,WLAIKFKCSAXVJL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.034,256-156-7,43230-06-4,4-nitrosophenylhydrazine,(4-nitrosophenyl)hydrazine,NNc1ccc(cc1)N=O,NNc1ccc(cc1)N=O,"InChI=1/C6H7N3O/c7-8-5-1-3-6(9-10)4-2-5/h1-4,8H,7H2",C6H7N3O,,,,,,KJWOKPNZBJOGLI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.836,280-143-5,83027-40-1,Ammonium 5-[[2-nitro-4-sulphamoylphenyl]amino]-2-[[4-[[2-nitro-4-sulphamoylphenyl]amino]phenyl]amino]benzenesulphonate,ammonium 5-[(2-nitro-4-sulfamoylphenyl)amino]-2-({4-[(2-nitro-4-sulfamoylphenyl)amino]phenyl}amino)benzenesulfonate,[NH4+].NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccc(Nc4ccc(cc4[N+](=O)[O-])S(=O)(=O)N)cc3S(=O)(=O)[O-])cc2)c(c1)[N+](=O)[O-],[NH4+].NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccc(Nc4ccc(cc4[N+](=O)[O-])S(=O)(=O)N)cc3S(=O)(=O)[O-])cc2)c(c1)[N+](=O)[O-],"InChI=1/C24H21N7O11S3.H3N/c25-43(36,37)17-6-9-19(22(12-17)30(32)33)27-14-1-3-15(4-2-14)28-21-8-5-16(11-24(21)45(40,41)42)29-20-10-7-18(44(26,38)39)13-23(20)31(34)35;/h1-13,27-29H,(H2,25,36,37)(H2,26,38,39)(H,40,41,42);1H3",C24H21N7O11S3.H3N,,,,,,VBRTUZHELCDNSC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.838,280-145-6,83027-42-3,"Sodium 4-[(4,8-diamino-3,7-dibromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate","sodium 2-[(4,8-diamino-3,7-dibromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzenesulfonate",[Na+].Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccc(Br)c(N)c4C(=O)c23)c(c1)S(=O)(=O)[O-],[Na+].Cc1ccc(Nc2cc(Br)c(N)c3C(=O)c4ccc(Br)c(N)c4C(=O)c23)c(c1)S(=O)(=O)[O-],"InChI=1/C21H15Br2N3O5S.Na/c1-8-2-5-12(14(6-8)32(29,30)31)26-13-7-11(23)19(25)17-16(13)21(28)15-9(20(17)27)3-4-10(22)18(15)24;/h2-7,26H,24-25H2,1H3,(H,29,30,31);/q;+1/p-1",C21H15Br2N3O5S.Na,,,,,,NWIVJLXHYXNBIE-UHFFFAOYSA-M,,,,,,,,,,,
100.072.839,280-146-1,83027-43-4,"Sodium 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({4-methoxy-3-[(2-oxoazepan-1-yl)methyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1CN5CCCCCC5=O,[Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1CN5CCCCCC5=O,"InChI=1/C28H27N3O7S.Na/c1-38-21-11-10-17(13-16(21)15-31-12-6-2-3-9-23(31)32)30-20-14-22(39(35,36)37)26(29)25-24(20)27(33)18-7-4-5-8-19(18)28(25)34;/h4-5,7-8,10-11,13-14,30H,2-3,6,9,12,15,29H2,1H3,(H,35,36,37);/q;+1/p-1",C28H27N3O7S.Na,,,,,,BOAPGWHMCNOFEM-UHFFFAOYSA-M,,,,,,,,,,,
100.072.841,280-148-2,83027-45-6,"Disodium 8-[[4-(1,1-dimethylethyl)-2-sulphonatophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxoanthracene-2-sulphonate","disodium 8-[(4-tert-butyl-2-sulfonatophenyl)amino]-1-hydroxy-5-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].CC(C)Nc1ccc(Nc2ccc(cc2S(=O)(=O)[O-])C(C)(C)C)c3C(=O)c4c(O)c(ccc4C(=O)c13)S(=O)(=O)[O-],[Na+].[Na+].CC(C)Nc1ccc(Nc2ccc(cc2S(=O)(=O)[O-])C(C)(C)C)c3C(=O)c4c(O)c(ccc4C(=O)c13)S(=O)(=O)[O-],"InChI=1/C27H28N2O9S2.2Na/c1-13(2)28-17-9-10-18(29-16-8-6-14(27(3,4)5)12-20(16)40(36,37)38)23-22(17)24(30)15-7-11-19(39(33,34)35)25(31)21(15)26(23)32;;/h6-13,28-29,31H,1-5H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C27H28N2O9S2.2Na,,,,,,FSNNTIUWZWTFTK-UHFFFAOYSA-L,,,,,,,,,,,
100.072.846,280-154-5,83027-50-3,Sodium 6-amino-5-[[2-[[3-[[4-(tert-butyl)phenoxy]sulphonyl]phenyl]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-{[2-({3-[(4-tert-butylphenoxy)sulfonyl]phenyl}sulfonyl)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].O=S(=O)(Oc1ccc(cc1)C(C)(C)C)c2cccc(c2)S(=O)(=O)c5ccccc5N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O,[Na+].O=S(=O)(Oc1ccc(cc1)C(C)(C)C)c2cccc(c2)S(=O)(=O)c5ccccc5N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O,"InChI=1/C32H29N3O9S3.Na/c1-32(2,3)21-12-14-22(15-13-21)44-47(42,43)24-8-6-7-23(18-24)45(37,38)29-10-5-4-9-27(29)34-35-31-26(33)16-11-20-17-25(46(39,40)41)19-28(36)30(20)31;/h4-19,36H,33H2,1-3H3,(H,39,40,41);/q;+1/p-1",C32H29N3O9S3.Na,,,,,,PACQBVQOTIYEDA-UHFFFAOYSA-M,,,,,,,,,,,
100.072.847,280-155-0,83027-51-4,"Disodium 6-[[2-(4-cyclohexylphenoxy)phenyl]azo]-4-[[(2,4-dichlorophenoxy)acetyl]amino]-5-hydroxynaphthalene-1,7-disulphonate","disodium 6-{[2-(4-cyclohexylphenoxy)phenyl]diazenyl}-4-{[(2,4-dichlorophenoxy)acetyl]amino}-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].Clc6ccc(OCC(=O)Nc5ccc(c4cc(c(N=Nc3ccccc3Oc1ccc(cc1)C2CCCCC2)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c6,[Na+].[Na+].Clc6ccc(OCC(=O)Nc5ccc(c4cc(c(N=Nc3ccccc3Oc1ccc(cc1)C2CCCCC2)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c6,"InChI=1/C36H31Cl2N3O10S2.2Na/c37-23-12-16-29(26(38)18-23)50-20-33(42)39-28-15-17-31(52(44,45)46)25-19-32(53(47,48)49)35(36(43)34(25)28)41-40-27-8-4-5-9-30(27)51-24-13-10-22(11-14-24)21-6-2-1-3-7-21;;/h4-5,8-19,21,43H,1-3,6-7,20H2,(H,39,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C36H31Cl2N3O10S2.2Na,,,,,,BHQMXPXVOJJXEW-UHFFFAOYSA-L,,,,,,,,,,,
100.074.682,282-176-0,84110-41-8,3-methyl-4-pentenyl 2-methylisocrotonate,3-methylpent-4-en-1-yl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OCCC(C)C=C,C\C=C(\C)/C(=O)OCCC(C)C=C,"InChI=1/C11H18O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h5-6,9H,1,7-8H2,2-4H3",C11H18O2,,,,,,JJUUVGROFZPNOE-POHAHGRESA-N,,,,,,,,,,,
100.074.691,282-186-5,84116-46-1,"(5a)-7,8-didehydro-4,5-epoxy-3,14-dihydroxymorphinan-6-one","3,14-dihydroxy-7,8-didehydro-4,5-epoxymorphinan-6-one",Oc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)C=C[C@@]35O,Oc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)C=C[C@@]35O,"InChI=1/C16H15NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-4,11,14,17-18,20H,5-7H2",C16H15NO4,,,,,,WJZVCRUPHQAKSZ-IPOQPSJVSA-N,,,,,,,,,,,
100.077.506,285-287-2,85061-28-5,2-(isobutyl)quinoxaline,2-isobutylquinoxaline,CC(C)Cc1cnc2ccccc2n1,CC(C)Cc1cnc2ccccc2n1,"InChI=1/C12H14N2/c1-9(2)7-10-8-13-11-5-3-4-6-12(11)14-10/h3-6,8-9H,7H2,1-2H3",C12H14N2,,,,,,AZIKLVKMNRNGPH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.894,280-207-2,83171-54-4,"trans-4-ethyl-2-fluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl",4-ethyl-2-fluoro-4'-(4-pentylcyclohexyl)biphenyl,CCCCCC1CCC(CC1)c2ccc(cc2)c3ccc(CC)cc3F,CCCCCC1CCC(CC1)c2ccc(cc2)c3ccc(CC)cc3F,"InChI=1/C25H33F/c1-3-5-6-7-20-8-11-21(12-9-20)22-13-15-23(16-14-22)24-17-10-19(4-2)18-25(24)26/h10,13-18,20-21H,3-9,11-12H2,1-2H3",C25H33F,,,,,,KOACYBYJGMVDEO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.898,280-211-4,83198-00-9,"(Z,Z)-2,2-bis[(docos-13-enoyloxy)methyl]propane-1,3-diyl bis[(Z)-docos-13-enoate]","3-(docos-13-enoyloxy)-2,2-bis[(docos-13-enoyloxy)methyl]propyl docos-13-enoate (non-preferred name)",CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C93H172O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(94)98-85-93(86-99-90(95)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-100-91(96)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-101-92(97)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-88H2,1-4H3",C93H172O8,,,,,,XWLKYNBYAKPWTA-PMDAXIHYSA-N,,,,,,,,,,,
100.072.899,280-213-5,83200-10-6,Anipamil,2-(3-methoxyphenyl)-2-(3-{[2-(3-methoxyphenyl)ethyl](methyl)amino}propyl)tetradecanenitrile,CCCCCCCCCCCCC(CCCN(C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2,CCCCCCCCCCCCC(CCCN(C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2,"InChI=1/C34H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3",C34H52N2O2,,,,,,PHFDAOXXIZOUIX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.905,280-219-8,83221-41-4,Potassium 2-[4-[(4-hydroxybiphenyl-3-yl)azo]phenoxy]ethyl sulphate,potassium 2-{4-[(4-hydroxybiphenyl-3-yl)diazenyl]phenoxy}ethyl sulfate,[K+].Oc2ccc(cc2N=Nc1ccc(OCCOS([O-])(=O)=O)cc1)c3ccccc3,[K+].Oc2ccc(cc2N=Nc1ccc(OCCOS([O-])(=O)=O)cc1)c3ccccc3,"InChI=1/C20H18N2O6S.K/c23-20-11-6-16(15-4-2-1-3-5-15)14-19(20)22-21-17-7-9-18(10-8-17)27-12-13-28-29(24,25)26;/h1-11,14,23H,12-13H2,(H,24,25,26);/q;+1/p-1",C20H18N2O6S.K,,,,,,IWIXHVSKRNEUBC-UHFFFAOYSA-M,,,,,,,,,,,
100.072.908,280-222-4,83221-44-7,"Sodium 2,5-bis[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]benzamido]benzenesulphonate","sodium 2,5-bis({4-[(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]benzoyl}amino)benzenesulfonate",[Na+].O=C5NC(=O)NC(=O)C5N=Nc1ccc(cc1)C(=O)Nc4ccc(NC(=O)c3ccc(N=NC2C(=O)NC(=O)NC2=O)cc3)cc4S([O-])(=O)=O,[Na+].O=C5NC(=O)NC(=O)C5N=Nc1ccc(cc1)C(=O)Nc4ccc(NC(=O)c3ccc(N=NC2C(=O)NC(=O)NC2=O)cc3)cc4S([O-])(=O)=O,"InChI=1/C28H20N10O11S.Na/c39-21(12-1-5-14(6-2-12)35-37-19-23(41)31-27(45)32-24(19)42)29-16-9-10-17(18(11-16)50(47,48)49)30-22(40)13-3-7-15(8-4-13)36-38-20-25(43)33-28(46)34-26(20)44;/h1-11,19-20H,(H,29,39)(H,30,40)(H,47,48,49)(H2,31,32,41,42,45)(H2,33,34,43,44,46);/q;+1/p-1",C28H20N10O11S.Na,,,,,,VKLUCXLNRCAZTK-UHFFFAOYSA-M,,,,,,,,,,,
100.073.110,280-444-1,83402-97-5,"5-[3-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]propoxy]-6-methylpyrimidine-2,4-diamine hydrochloride","5-{3-[(4'-chlorobiphenyl-4-yl)oxy]propoxy}-6-methylpyrimidine-2,4-diamine hydrochloride",Cl.Cc1nc(N)nc(N)c1OCCCOc2ccc(cc2)c3ccc(Cl)cc3,Cl.Cc1nc(N)nc(N)c1OCCCOc2ccc(cc2)c3ccc(Cl)cc3,"InChI=1/C20H21ClN4O2.ClH/c1-13-18(19(22)25-20(23)24-13)27-12-2-11-26-17-9-5-15(6-10-17)14-3-7-16(21)8-4-14;/h3-10H,2,11-12H2,1H3,(H4,22,23,24,25);1H",C20H21ClN4O2.ClH,,,,,,RUMUFGOFNCESLK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.949,282-470-9,84235-44-9,"Dibutylamine, compound with methyl-1H-benzotriazole",N-butylbutan-1-amine - 1-methyl-1H-benzotriazole (1:1),CCCCNCCCC.Cn1nnc2ccccc12,CCCCNCCCC.Cn1nnc2ccccc12,"InChI=1/C8H19N.C7H7N3/c1-3-5-7-9-8-6-4-2;1-10-7-5-3-2-4-6(7)8-9-10/h9H,3-8H2,1-2H3;2-5H,1H3",C8H19N.xC7H7N3,,,,,,KDDZACCUNPXZRC-UHFFFAOYSA-N,,,,,,,,,,,
100.074.976,282-500-0,84238-45-9,"Benzenesulfonic acid, 4-dodecyl-, cerium(4+) salt, basic",-,[Ce+4].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Ce+4].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C18H30O3S.Ce/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+4/p-1",-,,,,,,XEKFHDNQAHVDCQ-UHFFFAOYSA-M,,,,,,,,,,,
100.071.625,278-810-0,78000-30-3,L-lysine mono(3-methyl-2-oxobutyrate),3-methyl-2-oxobutanoic acid - L-lysine (1:1),CC(C)C(=O)C(=O)O.NCCCC[C@H](N)C(=O)O,CC(C)C(=O)C(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C6H14N2O2.C5H8O3/c7-4-2-1-3-5(8)6(9)10;1-3(2)4(6)5(7)8/h5H,1-4,7-8H2,(H,9,10);3H,1-2H3,(H,7,8)",C6H14N2O2.C5H8O3,,,,,,VRFAQQYAKWMFLR-JEDNCBNOSA-N,,,,,,,,,,,
100.071.627,278-812-1,78000-32-5,L-lysine mono(4-methyl-2-oxovalerate),4-methyl-2-oxopentanoic acid - L-lysine (1:1),CC(C)CC(=O)C(=O)O.NCCCC[C@H](N)C(=O)O,CC(C)CC(=O)C(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C6H14N2O2.C6H10O3/c7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9/h5H,1-4,7-8H2,(H,9,10);4H,3H2,1-2H3,(H,8,9)",C6H14N2O2.C6H10O3,,,,,,AZOLWFLKEMTKDO-JEDNCBNOSA-N,,,,,,,,,,,
100.071.632,278-817-9,78014-16-1,"N,N-dimethyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine","N,N-dimethyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine",CN(C)CCCNC1CC(C)(C)NC(C)(C)C1,CN(C)CCCNC1CC(C)(C)NC(C)(C)C1,"InChI=1/C14H31N3/c1-13(2)10-12(11-14(3,4)16-13)15-8-7-9-17(5)6/h12,15-16H,7-11H2,1-6H3",C14H31N3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17697,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.632,QYNFXDVIHNENBG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.646,282-136-2,84100-56-1,2-(chloro-2-thienylmethylene)butyraldehyde,2-[chloro(2-thienyl)methylene]butanal,ClC(=C(CC)C=O)c1cccs1,ClC(=C(CC)C=O)c1cccs1,"InChI=1/C9H9ClOS/c1-2-7(6-11)9(10)8-4-3-5-12-8/h3-6H,2H2,1H3",C9H9ClOS,,,,,,IBTAMKGCTMRRHI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.651,282-142-5,84100-61-8,"2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-3H-pyrazol-3-one","2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-{[4-(hexadecylsulfonyl)phenyl]amino}-2,4-dihydro-3H-pyrazol-3-one",CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC2=NN(C(=O)C2)c3ccccc3OC(F)(F)C(F)Cl)cc1,CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC2=NN(C(=O)C2)c3ccccc3OC(F)(F)C(F)Cl)cc1,"InChI=1/C33H45ClF3N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-45(42,43)27-22-20-26(21-23-27)38-30-25-31(41)40(39-30)28-18-15-16-19-29(28)44-33(36,37)32(34)35/h15-16,18-23,32H,2-14,17,24-25H2,1H3,(H,38,39)",C33H45ClF3N3O4S,,,,,,ANNZWPZMJJEIQM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.660,282-151-4,84100-72-1,"Ammonium 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxoanthracene-2-sulphonate","ammonium 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[NH4+].Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],[NH4+].Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H9NO7S.H3N/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);1H3",C14H9NO7S.H3N,,,,,,OTBMPEMZTDBNAF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.667,282-159-8,84100-79-8,"[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[[4,5-dihydro-3-methyl-5-oxo-1-(6-sulfo-2-naphthalenyl)-1H-pyrazol-4-yl]azo]-4'-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-, potassium sodium salt","potassium sodium 4-({1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)-4'-{[3-methyl-5-oxo-1-(6-sulfo-2-naphthyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-3,3'-dicarboxylate",[K+].[Na+].COc6ccccc6NC(=O)C(N=Nc1ccc(cc1C([O-])=O)c5ccc(N=NC4C(\\C)=N/N(c2ccc3cc(ccc3c2)S(O)(=O)=O)C4=O)c(c5)C([O-])=O)C(C)=O,[K+].[Na+].COc6ccccc6NC(=O)C(N=Nc1ccc(cc1C([O-])=O)c5ccc(N=NC4C(\C)=N/N(c2ccc3cc(ccc3c2)S(O)(=O)=O)C4=O)c(c5)C([O-])=O)C(C)=O,"InChI=1/C39H31N7O11S.K.Na/c1-20-34(37(49)46(45-20)26-12-8-23-17-27(58(54,55)56)13-9-22(23)16-26)43-41-30-14-10-24(18-28(30)38(50)51)25-11-15-31(29(19-25)39(52)53)42-44-35(21(2)47)36(48)40-32-6-4-5-7-33(32)57-3;;/h4-19,34-35H,1-3H3,(H,40,48)(H,50,51)(H,52,53)(H,54,55,56);;/q;2*+1/p-2",C39H31N7O11S.xK.xNa,,,,,,ROKYKWOGLMYPNK-UHFFFAOYSA-L,,,,,,,,,,,
100.074.669,282-161-9,84100-81-2,"4-[bis(2-hydroxyethyl)amino]-a,a-bis[4-(dimethylamino)phenyl]-o-xylene-a-ol","2,2'-[(4-{bis[4-(dimethylamino)phenyl](hydroxy)methyl}-3-methylphenyl)imino]diethanol",CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(cc3C)N(CCO)CCO,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(cc3C)N(CCO)CCO,"InChI=1/C28H37N3O3/c1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(34,22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5/h6-15,20,32-34H,16-19H2,1-5H3",C28H37N3O3,,,,,,BMKWCIQXVJPDKS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.670,282-162-4,84100-84-5,"2,3,3-trimethyl-3H-indole-5-carboxylic acid","2,3,3-trimethyl-3H-indole-5-carboxylic acid",CC1=Nc2ccc(cc2C1(C)C)C(=O)O,CC1=Nc2ccc(cc2C1(C)C)C(=O)O,"InChI=1/C12H13NO2/c1-7-12(2,3)9-6-8(11(14)15)4-5-10(9)13-7/h4-6H,1-3H3,(H,14,15)",C12H13NO2,,,,,,QUDAPQXQGBIUAR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.676,282-169-2,84100-90-3,"1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthraquinone","1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(N)c(cc(O)c3C(=O)c12)c4ccc(O)c(O)c4,Nc1ccc(O)c2C(=O)c3c(N)c(cc(O)c3C(=O)c12)c4ccc(O)c(O)c4,"InChI=1/C20H14N2O6/c21-9-2-4-11(24)15-14(9)19(27)16-13(26)6-8(18(22)17(16)20(15)28)7-1-3-10(23)12(25)5-7/h1-6,23-26H,21-22H2",C20H14N2O6,,,,,,PZFWXFIOPGAEJT-UHFFFAOYSA-N,,,,,,,,,,,
100.074.837,282-348-5,84176-81-8,"Disodium 4-[(2,4-diaminophenyl)azo]-4'-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo][1,1'-biphenyl]-2,2'-disulphonate","disodium 4-[(2,4-diaminophenyl)diazenyl]-4'-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]biphenyl-2,2'-disulfonate",[Na+].[Na+].Nc5ccc(N=Nc1ccc(c(c1)S([O-])(=O)=O)c2ccc(cc2S([O-])(=O)=O)N=NC4C(\\C)=N/N(c3ccccc3)C4=O)c(N)c5,[Na+].[Na+].Nc5ccc(N=Nc1ccc(c(c1)S([O-])(=O)=O)c2ccc(cc2S([O-])(=O)=O)N=NC4C(\C)=N/N(c3ccccc3)C4=O)c(N)c5,"InChI=1/C28H24N8O7S2.2Na/c1-16-27(28(37)36(35-16)20-5-3-2-4-6-20)34-32-19-9-11-22(26(15-19)45(41,42)43)21-10-8-18(14-25(21)44(38,39)40)31-33-24-12-7-17(29)13-23(24)30;;/h2-15,27H,29-30H2,1H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C28H24N8O7S2.2Na,,,,,,JXMZWPARKFMUJU-UHFFFAOYSA-L,,,,,,,,,,,
100.074.839,282-350-6,84184-25-8,"Hexyl 1-[1-[[[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazolecarboxylate","hexyl 1-(1-{[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]carbamoyl}-3,3-dimethyl-2-oxobutyl)-1H-imidazole-2-carboxylate",CCCCCCOC(=O)c1nccn1C(C(=O)Nc2cc(NC(=O)CCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC)ccc2Cl)C(=O)C(C)(C)C,CCCCCCOC(=O)c1nccn1C(C(=O)Nc2cc(NC(=O)CCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC)ccc2Cl)C(=O)C(C)(C)C,"InChI=1/C43H61ClN4O6/c1-11-14-15-16-25-54-40(52)38-45-23-24-48(38)36(37(50)41(4,5)6)39(51)47-33-28-30(20-21-32(33)44)46-35(49)18-17-26-53-34-22-19-29(42(7,8)12-2)27-31(34)43(9,10)13-3/h19-24,27-28,36H,11-18,25-26H2,1-10H3,(H,46,49)(H,47,51)",C43H61ClN4O6,,,,,,YXMNDOWIJULDOX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.037,256-159-3,44628-70-8,Hydrogen pentachloromethoxyantimonate(1-),pentachloro(methanolato)antimonate(1-),CO[Sb-](Cl)(Cl)(Cl)(Cl)Cl,CO[Sb-](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/CH3O.5ClH.Sb/c1-2;;;;;;/h1H3;5*1H;/q-1;;;;;;+5/p-5/rCH3Cl5OSb/c1-7-8(2,3,4,5)6/h1H3/q-1",CH3Cl5OSb.H,,,,,,ORXQVRWNFVTEMC-UHFFFAOYSA-I,,,,,,,,,,,
100.051.045,256-168-2,44898-13-7,Prop-2-ynyl 2-cyanoacrylate,prop-2-yn-1-yl 2-cyanoacrylate,C=C(C#N)C(=O)OCC#C,C=C(C#N)C(=O)OCC#C,"InChI=1/C7H5NO2/c1-3-4-10-7(9)6(2)5-8/h1H,2,4H2",C7H5NO2,,,,,,UVTYYXOSOUBFIW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.050,256-174-5,44981-48-8,Allyl hydrogen 2-butenedioate,4-(allyloxy)-4-oxobut-2-enoic acid,C=CCOC(=O)C=CC(O)=O,C=CCOC(=O)C=CC(O)=O,"InChI=1/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)",C7H8O4,,,,,,PEKZMKOVRVVTTN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.060,256-185-5,45024-21-3,"5-methylnonane-1,9-diamine","5-methylnonane-1,9-diamine",CC(CCCCN)CCCCN,CC(CCCCN)CCCCN,"InChI=1/C10H24N2/c1-10(6-2-4-8-11)7-3-5-9-12/h10H,2-9,11-12H2,1H3",C10H24N2,,,,,,MBRGOFWKNLPACT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.062,256-187-6,45077-13-2,"5-amino-1,1-dimethylhexyl acetate","5-amino-1,1-dimethylhexyl acetate",CC(N)CCCC(C)(C)OC(=O)C,CC(N)CCCC(C)(C)OC(=O)C,"InChI=1/C10H21NO2/c1-8(11)6-5-7-10(3,4)13-9(2)12/h8H,5-7,11H2,1-4H3",C10H21NO2,,,,,,DYNMECVGAALBLK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.064,256-189-7,45102-52-1,"2,2,3,3-tetrafluoropropyl methacrylate","2,2,3,3-tetrafluoropropyl methacrylate",CC(=C)C(=O)OCC(F)(F)C(F)F,CC(=C)C(=O)OCC(F)(F)C(F)F,"InChI=1/C7H8F4O2/c1-4(2)5(12)13-3-7(10,11)6(8)9/h6H,1,3H2,2H3",C7H8F4O2,,,,,,RSVZYSKAPMBSMY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.069,256-194-4,45124-23-0,2-ethylhexyl crotonate,2-ethylhexyl but-2-enoate,CCCCC(CC)COC(=O)\\C=C\\C,CCCCC(CC)COC(=O)\C=C\C,"InChI=1/C12H22O2/c1-4-7-9-11(6-3)10-14-12(13)8-5-2/h5,8,11H,4,6-7,9-10H2,1-3H3",C12H22O2,,,,,,LINJIWJIUXFXHS-VMPITWQZSA-N,,,,,,,,,,,
100.051.070,256-196-5,45127-97-7,2-(2-ethoxyethoxy)ethyl methacrylate,2-(2-ethoxyethoxy)ethyl methacrylate,CCOCCOCCOC(=O)C(=C)C,CCOCCOCCOC(=O)C(=C)C,"InChI=1/C10H18O4/c1-4-12-5-6-13-7-8-14-10(11)9(2)3/h2,4-8H2,1,3H3",C10H18O4,,,,,,WFTWWOCWRSUGAW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.072,256-198-6,45163-99-3,Decyl mercaptoacetate,decyl sulfanylacetate,CCCCCCCCCCOC(=O)CS,CCCCCCCCCCOC(=O)CS,"InChI=1/C12H24O2S/c1-2-3-4-5-6-7-8-9-10-14-12(13)11-15/h15H,2-11H2,1H3",C12H24O2S,,,,,,LMDIIDPLWVGXKM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.078,256-204-7,45189-99-9,Triacetoxy(3-mercaptopropyl)silane,(3-sulfanylpropyl)silanetriyl triacetate,CC(=O)O[Si](CCCS)(OC(=O)C)OC(=O)C,CC(=O)O[Si](CCCS)(OC(=O)C)OC(=O)C,"InChI=1/C9H16O6SSi/c1-7(10)13-17(6-4-5-16,14-8(2)11)15-9(3)12/h16H,4-6H2,1-3H3",C9H16O6SSi,,,,,,QOCXHIDKNIMUKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.016,252-833-6,36003-67-5,"11a-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide hydrochloride","11a-chloro-4-(dimethylamino)-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide hydrochloride",Cl.CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3(Cl)C(=O)C2(O)C(=O)C(=C1O)C(=O)N,Cl.CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3(Cl)C(=O)C2(O)C(=O)C(=C1O)C(=O)N,"InChI=1/C22H21ClN2O8.ClH/c1-7-8-5-4-6-9(26)10(8)17(29)21(23)12(7)16(28)13-14(25(2)3)15(27)11(19(24)31)18(30)22(13,33)20(21)32;/h4-6,12-14,16,26-28,33H,1H2,2-3H3,(H2,24,31);1H",C22H21ClN2O8.ClH,,,,,,SHFCTZLPLJLPIE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.017,252-834-1,36011-12-8,"N,N'-hexane-1,6-diylbis[6-hydroxyhexanamide]","N,N'-hexane-1,6-diylbis(6-hydroxyhexanamide)",OCCCCCC(=O)NCCCCCCNC(=O)CCCCCO,OCCCCCC(=O)NCCCCCCNC(=O)CCCCCO,"InChI=1/C18H36N2O4/c21-15-9-3-5-11-17(23)19-13-7-1-2-8-14-20-18(24)12-6-4-10-16-22/h21-22H,1-16H2,(H,19,23)(H,20,24)",C18H36N2O4,,,,,,VLSPLZWMDJVMRP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.023,252-840-4,36026-88-7,Nickel bisphosphinate,nickel(2+) bis(phosphinate),[Ni+2].[O-]P=O.[O-]P=O,[Ni+2].[O-]P=O.[O-]P=O,"InChI=1/Ni.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",H3O2P.xNi,,,,,,XXSPKSHUSWQAIZ-UHFFFAOYSA-L,,,,,,,,,,,
100.048.025,252-843-0,36038-57-0,"2,3-dibromo-1,4-dichlorobut-2-ene","2,3-dibromo-1,4-dichlorobut-2-ene",BrC(CCl)=C(Br)CCl,BrC(CCl)=C(Br)CCl,InChI=1/C4H4Br2Cl2/c5-3(1-7)4(6)2-8/h1-2H2,C4H4Br2Cl2,,,,,,HQBBIQIXNMQZMP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.034,252-853-5,36060-61-4,"2-heptyl-4,5-dihydro-1H-imidazole-1-ethanol","2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCCC1=NCCN1CCO,CCCCCCCC1=NCCN1CCO,"InChI=1/C12H24N2O/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15/h15H,2-11H2,1H3",C12H24N2O,,,,,,MTEKQDXWVXZMDN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.036,252-855-6,36063-55-5,"Methyl (3ß,19a)-16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate","methyl 11-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate",COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12,"InChI=1/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3",C22H26N2O4,,,,,,KXEMQEGRZWUKJS-VDESFZGPSA-N,,,,,,,,,,,
100.077.507,285-288-8,85068-27-5,"2,5-difluorophenylacetic acid","(2,5-difluorophenyl)acetic acid",OC(=O)Cc1cc(F)ccc1F,OC(=O)Cc1cc(F)ccc1F,"InChI=1/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6F2O2,,,,,,FKCRTRYQHZHXES-UHFFFAOYSA-N,,,,,,,,,,,
100.077.511,285-293-5,85068-31-1,"2',6'-difluoropropiophenone","1-(2,6-difluorophenyl)propan-1-one",CCC(=O)c1c(F)cccc1F,CCC(=O)c1c(F)cccc1F,"InChI=1/C9H8F2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3",C9H8F2O,,,,,,ISFKUAKHXQLAFN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.512,285-294-0,85068-32-2,"[3,5-bis(trifluoromethyl)phenyl]acetonitrile","[3,5-bis(trifluoromethyl)phenyl]acetonitrile",FC(F)(F)c1cc(CC#N)cc(c1)C(F)(F)F,FC(F)(F)c1cc(CC#N)cc(c1)C(F)(F)F,"InChI=1/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2",C10H5F6N,,,,,,YXGWYBUKRTYHJM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.516,285-298-2,85068-36-6,"2,5-difluorobenzophenone","(2,5-difluorophenyl)(phenyl)methanone",Fc1ccc(F)c(c1)C(=O)c2ccccc2,Fc1ccc(F)c(c1)C(=O)c2ccccc2,InChI=1/C13H8F2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,C13H8F2O,,,,,,HSCUAAMDKDZZKG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.517,285-299-8,85068-37-7,Diethyl (1-naphthylmethyl)(tetrahydrofurfuryl)malonate,diethyl (1-naphthylmethyl)(tetrahydrofuran-2-ylmethyl)malonate,CCOC(=O)C(CC1CCCO1)(Cc2cccc3ccccc23)C(=O)OCC,CCOC(=O)C(CC1CCCO1)(Cc2cccc3ccccc23)C(=O)OCC,"InChI=1/C23H28O5/c1-3-26-21(24)23(22(25)27-4-2,16-19-12-8-14-28-19)15-18-11-7-10-17-9-5-6-13-20(17)18/h5-7,9-11,13,19H,3-4,8,12,14-16H2,1-2H3",C23H28O5,,,,,,XGSMOSALSJBVLR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.537,278-713-3,77528-67-7,Manozodil,"N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine",CNCC1CCc2sc(C)nc2C1,CNCC1CCc2sc(C)nc2C1,"InChI=1/C10H16N2S/c1-7-12-9-5-8(6-11-2)3-4-10(9)13-7/h8,11H,3-6H2,1-2H3",C10H16N2S,,,,,,OFSPYMGCSOTXQN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.538,278-714-9,77528-68-8,"(4,5,6,7-tetrahydro-2-methylbenzothiazole-5-yl)dimethylammonium chloride","N,N,2-trimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-aminium chloride",[Cl-].C[NH+](C)C1CCc2sc(C)nc2C1,[Cl-].C[NH+](C)C1CCc2sc(C)nc2C1,"InChI=1/C10H16N2S.ClH/c1-7-11-9-6-8(12(2)3)4-5-10(9)13-7;/h8H,4-6H2,1-3H3;1H",C10H16N2S.xClH,,,,,,OIEVXKWRNQACKH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.544,278-721-7,77549-03-2,"6-chloro-3-(4-chlorophenyl)-2,4-bis(2-fluorophenyl)-3,4-dihydroquinazolin-4-ol","6-chloro-3-(4-chlorophenyl)-2,4-bis(2-fluorophenyl)-3,4-dihydroquinazolin-4-ol",OC1(N(C(=Nc2ccc(Cl)cc12)c3ccccc3F)c4ccc(Cl)cc4)c5ccccc5F,OC1(N(C(=Nc2ccc(Cl)cc12)c3ccccc3F)c4ccc(Cl)cc4)c5ccccc5F,"InChI=1/C26H16Cl2F2N2O/c27-16-9-12-18(13-10-16)32-25(19-5-1-3-7-22(19)29)31-24-14-11-17(28)15-21(24)26(32,33)20-6-2-4-8-23(20)30/h1-15,33H",C26H16Cl2F2N2O,,,,,,KCJCCFCUGCOEML-UHFFFAOYSA-N,,,,,,,,,,,
100.071.545,278-722-2,77549-04-3,"6-chloro-2,4-bis(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydroquinazolin-4-ol","6-chloro-2,4-bis(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydroquinazolin-4-ol",OC1(N(C(=Nc2ccc(Cl)cc12)c3ccccc3Cl)c4ccc(Cl)cc4)c5ccccc5Cl,OC1(N(C(=Nc2ccc(Cl)cc12)c3ccccc3Cl)c4ccc(Cl)cc4)c5ccccc5Cl,"InChI=1/C26H16Cl4N2O/c27-16-9-12-18(13-10-16)32-25(19-5-1-3-7-22(19)29)31-24-14-11-17(28)15-21(24)26(32,33)20-6-2-4-8-23(20)30/h1-15,33H",C26H16Cl4N2O,,,,,,UGUCDYZEIOZSSC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.546,278-723-8,77550-10-8,"2,4,6-tribenzyl-1,3,5-trioxane","2,4,6-tribenzyl-1,3,5-trioxane",C(C1OC(Cc2ccccc2)OC(Cc3ccccc3)O1)c4ccccc4,C(C1OC(Cc2ccccc2)OC(Cc3ccccc3)O1)c4ccccc4,"InChI=1/C24H24O3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2",C24H24O3,,,,,,ZHTQEDBVQSVWEN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.552,278-730-6,77594-94-6,1-(2-chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea,1-(2-chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea,OCCCNC(=S)Nc1cc(ccc1Cl)[N+](=O)[O-],OCCCNC(=S)Nc1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C10H12ClN3O3S/c11-8-3-2-7(14(16)17)6-9(8)13-10(18)12-4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13,18)",C10H12ClN3O3S,,,,,,FCAWDKNIWLFMLN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.553,278-731-1,77595-04-1,3-[(5-nitrobenzothiazol-2-yl)amino]propanol,"3-[(5-nitro-1,3-benzothiazol-2-yl)amino]propan-1-ol",OCCCNc1nc2cc(ccc2s1)[N+](=O)[O-],OCCCNc1nc2cc(ccc2s1)[N+](=O)[O-],"InChI=1/C10H11N3O3S/c14-5-1-4-11-10-12-8-6-7(13(15)16)2-3-9(8)17-10/h2-3,6,14H,1,4-5H2,(H,11,12)",C10H11N3O3S,,,,,,MPGURZXMIVWAPS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.557,278-735-3,77633-47-7,"7-methyl-1,4-dioxacyclohexadecane-5,16-dione","7-methyl-1,4-dioxacyclohexadecane-5,16-dione",CC1CCCCCCCCC(=O)OCCOC(=O)C1,CC1CCCCCCCCC(=O)OCCOC(=O)C1,"InChI=1/C15H26O4/c1-13-8-6-4-2-3-5-7-9-14(16)18-10-11-19-15(17)12-13/h13H,2-12H2,1H3",C15H26O4,,,,,,IGNYDIAMKIKEKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.564,278-743-7,77656-52-1,"1-(hydroxymethyl)ethane-1,2-diyl bis(2-propylvalerate)",2-hydroxy-1-{[(2-propylpentanoyl)oxy]methyl}ethyl 2-propylpentanoate,CCCC(CCC)C(=O)OCC(CO)OC(=O)C(CCC)CCC,CCCC(CCC)C(=O)OCC(CO)OC(=O)C(CCC)CCC,"InChI=1/C19H36O5/c1-5-9-15(10-6-2)18(21)23-14-17(13-20)24-19(22)16(11-7-3)12-8-4/h15-17,20H,5-14H2,1-4H3",C19H36O5,,,,,,VRHHCIFJHPYESE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.765,282-268-0,84145-41-5,(Z)-N-ethyl-2-(6-methyl-3-pyridyl)vinylamine,N-ethyl-2-(6-methylpyridin-3-yl)ethenamine,CCN\\C=C/c1ccc(C)nc1,CCN\C=C/c1ccc(C)nc1,"InChI=1/C10H14N2/c1-3-11-7-6-10-5-4-9(2)12-8-10/h4-8,11H,3H2,1-2H3",C10H14N2,,,,,,DWCXVXSMSLSVHF-SREVYHEPSA-N,,,,,,,,,,,
100.074.767,282-270-1,84145-43-7,1-(4-methoxyphenyl)piperazinium chloride,1-(4-methoxyphenyl)piperazin-1-ium chloride,[Cl-].COc1ccc(cc1)[NH+]2CCNCC2,[Cl-].COc1ccc(cc1)[NH+]2CCNCC2,"InChI=1/C11H16N2O.ClH/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H",C11H16N2O.ClH,,,,,,HFJDUYKRPHHPAX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.770,282-273-8,84145-46-0,"Disodium hydrogen 4,5-dihydro-4-[[4-[[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","hydrogen disodium 4-({4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)carbamoyl]phenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c4cc(NC(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(OC)cc4,[H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c4cc(NC(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(OC)cc4,"InChI=1/C26H23N5O14S3.2Na.H2/c1-44-21-11-10-19(46(36,37)13-12-45-48(41,42)43)14-20(21)27-24(32)15-2-4-16(5-3-15)28-29-22-23(26(34)35)30-31(25(22)33)17-6-8-18(9-7-17)47(38,39)40;;;/h2-11,14,22H,12-13H2,1H3,(H,27,32)(H,34,35)(H,38,39,40)(H,41,42,43);;;1H/q;3*+1/p-3",C26H23N5O14S3.2Na,,,,,,HHOMIDGEOXUFNT-UHFFFAOYSA-L,,,,,,,,,,,
100.074.771,282-274-3,84145-47-1,"Dodecyl dihydrogen phosphate, compound with N,N-dimethylcyclohexylamine (1:2)","dodecyl dihydrogen phosphate - N,N-dimethylcyclohexanamine (1:2)",CCCCCCCCCCCCOP(=O)(O)O.CN(C)C1CCCCC1.CN(C)C2CCCCC2,CCCCCCCCCCCCOP(=O)(O)O.CN(C)C1CCCCC1.CN(C)C2CCCCC2,"InChI=1/C12H27O4P.2C8H17N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2*1-9(2)8-6-4-3-5-7-8/h2-12H2,1H3,(H2,13,14,15);2*8H,3-7H2,1-2H3",C12H27O4P.2C8H17N,,,,,,XUBMAMVACBOCNU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.773,282-276-4,84145-50-6,a-ethyl-5-isopropyl-2-methylbenzyl alcohol,1-(5-isopropyl-2-methylphenyl)propan-1-ol,CCC(O)c1cc(ccc1C)C(C)C,CCC(O)c1cc(ccc1C)C(C)C,"InChI=1/C13H20O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6-9,13-14H,5H2,1-4H3",C13H20O,,,,,,ITKKKGJNTAMQRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.781,282-285-3,84145-58-4,"Lauric acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine","dodecanoic acid - N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine (1:1)",CCCCCCCCCCCC(=O)O.NCCNCCNCCNCCN,CCCCCCCCCCCC(=O)O.NCCNCCNCCNCCN,"InChI=1/C12H24O2.C8H23N5/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-11H2,1H3,(H,13,14);11-13H,1-10H2",C12H24O2.xC8H23N5,,,,,,JPHLYENPWNFPLI-UHFFFAOYSA-N,,,,,,,,,,,
100.076.766,284-473-0,84912-10-7,"2,4-dichloro-3-oxobutyryl chloride","2,4-dichloro-3-oxobutanoyl chloride",ClCC(=O)C(Cl)C(=O)Cl,ClCC(=O)C(Cl)C(=O)Cl,"InChI=1/C4H3Cl3O2/c5-1-2(8)3(6)4(7)9/h3H,1H2",C4H3Cl3O2,,,,,,FLQXWQNUQVUSNB-UHFFFAOYSA-N,,,,,,,,,,,
100.076.769,284-476-7,84912-13-0,"Naphth[1,8-cd]-1,2-oxathiole-6-sulphonic acid 2,2-dioxide","naphtho[1,8-cd][1,2]oxathiole-6-sulfonic acid 2,2-dioxide",OS(=O)(=O)c1ccc2OS(=O)(=O)c3cccc1c23,OS(=O)(=O)c1ccc2OS(=O)(=O)c3cccc1c23,"InChI=1/C10H6O6S2/c11-17(12,13)8-5-4-7-10-6(8)2-1-3-9(10)18(14,15)16-7/h1-5H,(H,11,12,13)",C10H6O6S2,,,,,,QAEUEWRTNVGJOO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.773,284-480-9,84912-17-4,Sodium 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-o-tolyl]azo]-3-sulphosalicylate,sodium 5-({4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)-2-hydroxy-3-sulfobenzoate,[Na+].COc3cc(N=Nc1cc(C([O-])=O)c(O)c(c1)S(O)(=O)=O)c(C)cc3NC(=O)c2cccc(N)c2,[Na+].COc3cc(N=Nc1cc(C([O-])=O)c(O)c(c1)S(O)(=O)=O)c(C)cc3NC(=O)c2cccc(N)c2,"InChI=1/C22H20N4O8S.Na/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33;/h3-10,27H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33);/q;+1/p-1",C22H20N4O8S.xNa,,,,,,BWTWRBGMZFKIHY-UHFFFAOYSA-M,,,,,,,,,,,
100.076.774,284-481-4,84912-18-5,"2,5,9-trimethyl-8-decen-5-ol","2,5,9-trimethyldec-8-en-5-ol",CC(C)CCC(C)(O)CCC=C(C)C,CC(C)CCC(C)(O)CCC=C(C)C,"InChI=1/C13H26O/c1-11(2)7-6-9-13(5,14)10-8-12(3)4/h7,12,14H,6,8-10H2,1-5H3",C13H26O,,,,,,XNWZTHGGEVXZCM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.639,278-825-2,78078-51-0,"(Z)-1-(1,3-dioxan-2-yl)non-6-en-3-one","1-(1,3-dioxan-2-yl)non-6-en-3-one",CC\\C=C/CCC(=O)CCC1OCCCO1,CC\C=C/CCC(=O)CCC1OCCCO1,"InChI=1/C13H22O3/c1-2-3-4-5-7-12(14)8-9-13-15-10-6-11-16-13/h3-4,13H,2,5-11H2,1H3",C13H22O3,,,,,,WDDXOWKFBRTFGR-ARJAWSKDSA-N,,,,,,,,,,,
100.071.641,278-827-3,78084-30-7,3-(p-isocyanatobenzyl)-o-tolyl isocyanate,1-isocyanato-3-(4-isocyanatobenzyl)-2-methylbenzene,Cc1c(Cc2ccc(cc2)N=C=O)cccc1N=C=O,Cc1c(Cc2ccc(cc2)N=C=O)cccc1N=C=O,"InChI=1/C16H12N2O2/c1-12-14(3-2-4-16(12)18-11-20)9-13-5-7-15(8-6-13)17-10-19/h2-8H,9H2,1H3",C16H12N2O2,,,,,,ASTYJMOUOLLVFH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.651,278-838-3,78108-20-0,"2-(2-hydroxypropyl)-9-methoxy-1H-xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione","2-(2-hydroxypropyl)-9-methoxy-1H-benzo[3,4]isochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione",COc1ccc2Oc3ccc4C(=O)N(CC(C)O)C(=O)c5ccc(c2c1)c3c45,COc1ccc2Oc3ccc4C(=O)N(CC(C)O)C(=O)c5ccc(c2c1)c3c45,"InChI=1/C22H17NO5/c1-11(24)10-23-21(25)14-5-4-13-16-9-12(27-2)3-7-17(16)28-18-8-6-15(22(23)26)19(14)20(13)18/h3-9,11,24H,10H2,1-2H3",C22H17NO5,,,,,,WAFXHZYMBOUWSM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.869,282-383-6,84195-76-6,"1,2,3,4,5,6,7,8,9,10,13,13,14,14-tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene","1,2,3,4,5,6,7,8,9,10,13,13,14,14-tetradecachloro-11-nitro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene",[O-][N+](=O)c1cc2C3C(C4C(c2c(Cl)c1Cl)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,[O-][N+](=O)c1cc2C3C(C4C(c2c(Cl)c1Cl)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,"InChI=1/C20H5Cl14NO2/c21-9-3(35(36)37)1-2-4(10(9)22)6-8(18(30)14(26)12(24)16(6,28)20(18,33)34)7-5(2)15(27)11(23)13(25)17(7,29)19(15,31)32/h1,5-8H",C20H5Cl14NO2,,,,,,YMERVEOEVPNZQG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.871,284-588-6,84930-08-5,Methyl 2-[(3-phenylpropylidene)amino]benzoate,methyl 2-[(3-phenylpropylidene)amino]benzoate,COC(=O)c2ccccc2N=CCCc1ccccc1,COC(=O)c2ccccc2N=CCCc1ccccc1,"InChI=1/C17H17NO2/c1-20-17(19)15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-13H,7,10H2,1H3",C17H17NO2,,,,,,ICANWIXAAGSKBR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.874,284-591-2,84930-11-0,"[[4-(1,1-dimethylethyl)cyclohexyl]oxy]acetaldehyde",[(4-tert-butylcyclohexyl)oxy]acetaldehyde,CC(C)(C)C1CCC(CC1)OCC=O,CC(C)(C)C1CCC(CC1)OCC=O,"InChI=1/C12H22O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h8,10-11H,4-7,9H2,1-3H3",C12H22O2,,,,,,ZTWFAACNANZDRH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.503,278-676-3,77375-50-9,6-cinnamoyl-m-toluic acid,2-cinnamoyl-5-methylbenzoic acid,Cc1ccc(C(=O)\\C=C\\c2ccccc2)c(c1)C(=O)O,Cc1ccc(C(=O)\C=C\c2ccccc2)c(c1)C(=O)O,"InChI=1/C17H14O3/c1-12-7-9-14(15(11-12)17(19)20)16(18)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)",C17H14O4,,,,,,NNMSOQACCTUWMJ-CSKARUKUSA-N,,,,,,,,,,,
100.071.508,278-682-6,77394-55-9,"4,5-dihydro-5-oxo-4-[(3-phosphonophenyl)azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","5-oxo-4-[(3-phosphonophenyl)diazenyl]-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OP(O)(=O)c1cccc(c1)N=NC3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O,OP(O)(=O)c1cccc(c1)N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O,"InChI=1/C16H13N4O9PS/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29)",C16H13N4O9PS,,,,,,UFOWHPDKJWPTMS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.515,278-689-4,77442-84-3,"6,6'-(decane-1,10-diyl)bis(1,3,5-triazine-2,4-diamine)","6,6'-decane-1,10-diylbis(1,3,5-triazine-2,4-diamine)",Nc1nc(N)nc(CCCCCCCCCCc2nc(N)nc(N)n2)n1,Nc1nc(N)nc(CCCCCCCCCCc2nc(N)nc(N)n2)n1,"InChI=1/C16H28N10/c17-13-21-11(22-14(18)25-13)9-7-5-3-1-2-4-6-8-10-12-23-15(19)26-16(20)24-12/h1-10H2,(H4,17,18,21,22,25)(H4,19,20,23,24,26)",C16H28N10,,,,,,NJMHCYOBRBPKCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.523,278-698-3,77497-42-8,Diphenylmethyl 2-bromo-2-methylpropionate,diphenylmethyl 2-bromo-2-methylpropanoate,CC(C)(Br)C(=O)OC(c1ccccc1)c2ccccc2,CC(C)(Br)C(=O)OC(c1ccccc1)c2ccccc2,"InChI=1/C17H17BrO2/c1-17(2,18)16(19)20-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3",C17H17BrO2,,,,,,NKNPNXLUEMIZFU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.530,278-706-5,77514-27-3,"3,3-dimethyl-5-oxovaleric acid","3,3-dimethyl-5-oxopentanoic acid",CC(C)(CC=O)CC(=O)O,CC(C)(CC=O)CC(=O)O,"InChI=1/C7H12O3/c1-7(2,3-4-8)5-6(9)10/h4H,3,5H2,1-2H3,(H,9,10)",C7H12O3,,,,,,CIBRWFVOWKXEFX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.840,280-147-7,83027-44-5,"Sodium 5-tert-butyl-2-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl]amino]benzenesulphonate","sodium 5-tert-butyl-2-{[8-hydroxy-4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzenesulfonate",[Na+].CC(C)Nc1ccc(Nc2ccc(cc2S(=O)(=O)[O-])C(C)(C)C)c3C(=O)c4c(O)cccc4C(=O)c13,[Na+].CC(C)Nc1ccc(Nc2ccc(cc2S(=O)(=O)[O-])C(C)(C)C)c3C(=O)c4c(O)cccc4C(=O)c13,"InChI=1/C27H28N2O6S.Na/c1-14(2)28-18-11-12-19(24-23(18)25(31)16-7-6-8-20(30)22(16)26(24)32)29-17-10-9-15(27(3,4)5)13-21(17)36(33,34)35;/h6-14,28-30H,1-5H3,(H,33,34,35);/q;+1/p-1",C27H28N2O6S.Na,,,,,,YADQTBGQEQYFKY-UHFFFAOYSA-M,,,,,,,,,,,
100.072.842,280-149-8,83027-46-7,6-amino-5-[[3-[(ethylphenylamino)sulphonyl]-4-methylphenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-5-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid,CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O,CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O,"InChI=1/C25H24N4O6S2/c1-3-29(19-7-5-4-6-8-19)36(31,32)23-14-18(11-9-16(23)2)27-28-25-21(26)12-10-17-13-20(37(33,34)35)15-22(30)24(17)25/h4-15,30H,3,26H2,1-2H3,(H,33,34,35)",C25H24N4O6S2,,,,,,JQNSWTWZESAPPA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.689,282-183-9,84110-50-9,"Hydrogen 9-[(2-methoxyphenyl)amino]-7-phenyl-5-(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with nonadecan-10-amine (1:1)","hydrogen 5-anilino-9-[(2-methoxyphenyl)amino]-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate - nonadecan-10-amine (1:1)",CCCCCCCCCC(N)CCCCCCCCC.COc1ccccc1Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-],CCCCCCCCCC(N)CCCCCCCCC.COc1ccccc1Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-],"InChI=1/C35H26N4O7S2.C19H41N/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23;1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h2-21H,1H3,(H3,36,37,40,41,42,43,44,45);19H,3-18,20H2,1-2H3/p-1",C35H26N4O7S2.C19H41N,,,,,,NQNHKNQTJVDSPL-UHFFFAOYSA-M,,,,,,,,,,,
100.077.502,285-283-0,85050-11-9,a-allylcyclopent-2-ene-1-acetic acid,2-cyclopent-2-en-1-ylpent-4-enoic acid,OC(=O)C(CC=C)C1CCC=C1,OC(=O)C(CC=C)C1CCC=C1,"InChI=1/C10H14O2/c1-2-5-9(10(11)12)8-6-3-4-7-8/h2-3,6,8-9H,1,4-5,7H2,(H,11,12)",C10H14O2,,,,,,UOSVWXJMXKEOON-UHFFFAOYSA-N,,,,,,,,,,,
100.048.046,252-866-6,36104-80-0,Camazepam,"7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl dimethylcarbamate",CN(C)C(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3N(C)C1=O,CN(C)C(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3N(C)C1=O,"InChI=1/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3",C19H18ClN3O3,,,,,,PXBVEXGRHZFEOF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.735,252-524-6,35353-41-4,(R)-2-azido-2-phenylacetyl chloride,azido(phenyl)acetyl chloride,ClC(=O)[C@H](N=[N+]=[N-])c1ccccc1,ClC(=O)[C@H](N=[N+]=[N-])c1ccccc1,"InChI=1/C8H6ClN3O/c9-8(13)7(11-12-10)6-4-2-1-3-5-6/h1-5,7H",C8H6ClN3O,,,,,,NRSMVAFUFMOXFI-SSDOTTSWSA-N,,,,,,,,,,,
100.047.738,252-527-2,35364-99-9,(chloromethoxymethyl)benzene,[chloro(methoxy)methyl]benzene,COC(Cl)c1ccccc1,COC(Cl)c1ccccc1,"InChI=1/C8H9ClO/c1-10-8(9)7-5-3-2-4-6-7/h2-6,8H,1H3",C8H9ClO,,,,,,YVBSAPDHRXHFHV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.740,252-529-3,35367-38-5,"N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide","N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide",Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2,Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2,"InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)",C14H9ClF2N2O2,,,,,,QQQYTWIFVNKMRW-UHFFFAOYSA-N,Positive/Negative,AU338801|AU338802|AU338803|AU338804|AU338805;SM845803,[M+H]+;[M+H]+,CID10|CID20|CID40|CID40|CID50;HCD35,158.0398:311.0393:313.036|158.0395:141.0133:159.0437|158.0402:141.0142:142.0162|141.0143:158.04:140.0307|141.0138:158.04;158.0412:141.0145:311.0393,Athens_Univ;CASMI_2016,SM845852,[M-H]-,HCD35,289.0186:156.0266:309.0249,CASMI_2016
100.049.250,254-193-3,38932-56-8,6-benzyl-2-chlorophenol,2-benzyl-6-chlorophenol,Oc1c(Cl)cccc1Cc2ccccc2,Oc1c(Cl)cccc1Cc2ccccc2,"InChI=1/C13H11ClO/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h1-8,15H,9H2",C13H11ClO,,,,,,WBPAVXSLTANIFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.253,254-197-5,38936-33-3,"1,3,3-trimethyl-2-[(methyl-2-naphthylhydrazono)methyl]-3H-indolium chloride","1,3,3-trimethyl-2-[methyl(2-naphthyl)carbonohydrazonoyl]-3H-indolium chloride",[Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c2cc3ccccc3cc2,[Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c2cc3ccccc3cc2,"InChI=1/C23H24N3.ClH/c1-23(2)20-11-7-8-12-21(20)25(3)22(23)16-24-26(4)19-14-13-17-9-5-6-10-18(17)15-19;/h5-16H,1-4H3;1H/q+1;/p-1",C23H24N3.Cl,,,,,,HRKCUHYONZGYJM-UHFFFAOYSA-M,,,,,,,,,,,
100.049.260,254-205-7,38945-70-9,Cyclohexylammonium oleate,cyclohexanaminium octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].[NH3+]C1CCCCC1,CCCCCCCC\C=C/CCCCCCCC(=O)[O-].[NH3+]C1CCCCC1,"InChI=1/C18H34O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-6-4-2-1-3-5-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);6H,1-5,7H2",C18H34O2.C6H13N,,,,,,WNPNSXNXDXEXAN-KVVVOXFISA-N,,,,,,,,,,,
100.051.406,256-565-0,50378-82-0,2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide,"2-{[3-(2-carboxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethylquinolinium iodide",[I-].OC(=O)CCN3c4ccccc4SC3=Cc1ccc2ccccc2[n+]1CC,[I-].OC(=O)CCN3c4ccccc4SC3=Cc1ccc2ccccc2[n+]1CC,"InChI=1/C22H20N2O2S.HI/c1-2-23-17(12-11-16-7-3-4-8-18(16)23)15-21-24(14-13-22(25)26)19-9-5-6-10-20(19)27-21;/h3-12,15H,2,13-14H2,1H3;1H",C22H21N2O2S.I,,,,,,MLKLIWREVBOCRN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.409,256-568-7,50380-74-0,4-amino-3-hydroxynaphthalene-1-carbonitrile,4-amino-3-hydroxy-1-naphthonitrile,Nc1c(O)cc(C#N)c2ccccc12,Nc1c(O)cc(C#N)c2ccccc12,"InChI=1/C11H8N2O/c12-6-7-5-10(14)11(13)9-4-2-1-3-8(7)9/h1-5,14H,13H2",C11H8N2O,,,,,,BKJNOOATZWQVDU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.415,256-575-5,50402-56-7,5-(2-aminoethylamino)naphthalene-1-sulphonic acid,5-[(2-aminoethyl)amino]naphthalene-1-sulfonic acid,NCCNc1cccc2c(cccc12)S(=O)(=O)O,NCCNc1cccc2c(cccc12)S(=O)(=O)O,"InChI=1/C12H14N2O3S/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12(10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)",C12H14N2O3S,,,,,,SJQRQOKXQKVJGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.416,256-576-0,50402-57-8,8-(2-aminoethylamino)naphthalene-1-sulphonic acid,8-[(2-aminoethyl)amino]naphthalene-1-sulfonic acid,NCCNc1cccc2cccc(c12)S(=O)(=O)O,NCCNc1cccc2cccc(c12)S(=O)(=O)O,"InChI=1/C12H14N2O3S/c13-7-8-14-10-5-1-3-9-4-2-6-11(12(9)10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)",C12H14N2O3S,,,,,,XCNDHKWVELDQPO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.418,256-578-1,50402-70-5,Sodium methoxyacetate,sodium methoxyacetate,[Na+].COCC(=O)[O-],[Na+].COCC(=O)[O-],"InChI=1/C3H6O3.Na/c1-6-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1",C3H6O3.Na,,,,,,CEWQOBFWNPUNRO-UHFFFAOYSA-M,,,,,,,,,,,
100.051.437,256-599-6,50471-44-8,"N-3,5-dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione","3-(3,5-dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione",CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C,CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C,"InChI=1/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3",C12H9Cl2NO3,,,,,,FSCWZHGZWWDELK-UHFFFAOYSA-N,Positive,EQ311901|EQ311902|EQ311903|EQ311904|EQ311905|EQ311906,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,286.003:214.0184:217.9769|217.977:286.0031:214.0185|173.9871:217.977:179.0495|173.9872:217.977:164.026|173.9872:144.0807:164.0261|173.9871:164.026:144.0807,Eawag,,,,,
100.051.438,256-601-5,50485-06-8,"9,10-didehydro-N,6-dimethylergoline-8ß-carboxamide","N,6-dimethyl-9,10-didehydroergoline-8-carboxamide",CNC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,CNC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34,"InChI=1/C17H19N3O/c1-18-17(21)11-6-13-12-4-3-5-14-16(12)10(8-19-14)7-15(13)20(2)9-11/h3-6,8,11,15,19H,7,9H2,1-2H3,(H,18,21)",C17H19N3O,,,,,,NINBUXQQTOVMAB-IAQYHMDHSA-N,,,,,,,,,,,
100.071.566,278-745-8,77658-97-0,Anaxirone,"1,2,4-tris(oxiran-2-ylmethyl)-1,2,4-triazolidine-3,5-dione",O=C1N(CC2CO2)N(CC3CO3)C(=O)N1CC4CO4,O=C1N(CC2CO2)N(CC3CO3)C(=O)N1CC4CO4,"InChI=1/C11H15N3O5/c15-10-12(1-7-4-17-7)11(16)14(3-9-6-19-9)13(10)2-8-5-18-8/h7-9H,1-6H2",C11H15N3O5,,,,,,ZTXDHEQQZVFGPK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.567,278-746-3,77666-73-0,"4-[4,5-dihydro-4-[(4-hydroxyphenyl)methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid","4-[4-(4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid",OC(=O)c1ccc(cc1)N3/N=C(/C)C(=Cc2ccc(O)cc2)C3=O,OC(=O)c1ccc(cc1)N3/N=C(/C)C(=Cc2ccc(O)cc2)C3=O,"InChI=1/C18H14N2O4/c1-11-16(10-12-2-8-15(21)9-3-12)17(22)20(19-11)14-6-4-13(5-7-14)18(23)24/h2-10,21H,1H3,(H,23,24)",C18H14N2O4,,,,,,JWHGXMAVIMEDSS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.569,278-748-4,77680-44-5,N-isopropyl-m-vinylphenethylamine,N-[2-(3-vinylphenyl)ethyl]propan-2-amine,CC(C)NCCc1cccc(C=C)c1,CC(C)NCCc1cccc(C=C)c1,"InChI=1/C13H19N/c1-4-12-6-5-7-13(10-12)8-9-14-11(2)3/h4-7,10-11,14H,1,8-9H2,2-3H3",C13H19N,,,,,,ARYXMXUOJQMGCO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.575,278-755-2,77731-56-7,4-methyl-2-propylhex-2-enal,4-methyl-2-propylhex-2-enal,CCC(C)C=C(CCC)C=O,CCC(C)C=C(CCC)C=O,"InChI=1/C10H18O/c1-4-6-10(8-11)7-9(3)5-2/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,GPTLSTSCOCBLOP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.848,280-156-6,83027-52-5,"Disodium 6-[[2-(2-cyclohexylphenoxy)phenyl]azo]-4-[[(2,4-dichlorophenoxy)acetyl]amino]-5-hydroxynaphthalene-1,7-disulphonate","disodium 6-{[2-(2-cyclohexylphenoxy)phenyl]diazenyl}-4-{[(2,4-dichlorophenoxy)acetyl]amino}-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].Clc6ccc(OCC(=O)Nc5ccc(c4cc(c(N=Nc3ccccc3Oc1ccccc1C2CCCCC2)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c6,[Na+].[Na+].Clc6ccc(OCC(=O)Nc5ccc(c4cc(c(N=Nc3ccccc3Oc1ccccc1C2CCCCC2)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c6,"InChI=1/C36H31Cl2N3O10S2.2Na/c37-22-14-16-29(25(38)18-22)50-20-33(42)39-27-15-17-31(52(44,45)46)24-19-32(53(47,48)49)35(36(43)34(24)27)41-40-26-11-5-7-13-30(26)51-28-12-6-4-10-23(28)21-8-2-1-3-9-21;;/h4-7,10-19,21,43H,1-3,8-9,20H2,(H,39,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C36H31Cl2N3O10S2.2Na,,,,,,FJPSYWZMPAMVJO-UHFFFAOYSA-L,,,,,,,,,,,
100.072.859,280-168-1,83029-01-0,"2-hydroxy-3-oxo-2,3-diphenylpropyl dodecane-1-sulphonate","2-hydroxy-3-oxo-2,3-diphenylpropyl dodecane-1-sulfonate",CCCCCCCCCCCCS(=O)(=O)OCC(O)(C(=O)c1ccccc1)c2ccccc2,CCCCCCCCCCCCS(=O)(=O)OCC(O)(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C27H38O5S/c1-2-3-4-5-6-7-8-9-10-17-22-33(30,31)32-23-27(29,25-20-15-12-16-21-25)26(28)24-18-13-11-14-19-24/h11-16,18-21,29H,2-10,17,22-23H2,1H3",C27H38O5S,,,,,,ZEZODPVLSJPPGN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.860,280-169-7,83038-82-8,Trimethoxytetradecylsilane,trimethoxy(tetradecyl)silane,CCCCCCCCCCCCCC[Si](OC)(OC)OC,CCCCCCCCCCCCCC[Si](OC)(OC)OC,"InChI=1/C17H38O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18-2,19-3)20-4/h5-17H2,1-4H3",C17H38O3Si,,,,,,AXNJHBYHBDPTQF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.864,280-173-9,83044-91-1,Methyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate,methyl 3-[3-tert-butyl-5-(5-chloro-2H-benzotriazol-2-yl)-4-hydroxyphenyl]propanoate,COC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,COC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,"InChI=1/C20H22ClN3O3/c1-20(2,3)14-9-12(5-8-18(25)27-4)10-17(19(14)26)24-22-15-7-6-13(21)11-16(15)23-24/h6-7,9-11,26H,5,8H2,1-4H3",C20H22ClN3O3,,,,,,VRBLLGLKTUGCSG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.868,280-178-6,83044-97-7,"2,2'-[[2,2-bis(chloromethyl)propane-1,3-diyl]bis(oxy)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2'-dioxide","2,2'-{[2,2-bis(chloromethyl)propane-1,3-diyl]bis(oxy)}bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide",CC1(C)COP(=O)(OCC(CCl)(CCl)COP2(=O)OCC(C)(C)CO2)OC1,CC1(C)COP(=O)(OCC(CCl)(CCl)COP2(=O)OCC(C)(C)CO2)OC1,"InChI=1/C15H28Cl2O8P2/c1-13(2)7-20-26(18,21-8-13)24-11-15(5-16,6-17)12-25-27(19)22-9-14(3,4)10-23-27/h5-12H2,1-4H3",C15H28Cl2O8P2,,,,,,ILIAGSDZPCJDQR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.873,280-183-3,83045-04-9,"2-[[3-[(1-oxoallyl)oxy]-2,2-bis[[(1-oxoallyl)oxy]methyl]propoxy]methyl]-2-[(1-oxopropoxy)methyl]-1,3-propanediyl diacrylate",3-(acryloyloxy)-2-({3-(acryloyloxy)-2-[(acryloyloxy)methyl]-2-[(propionyloxy)methyl]propoxy}methyl)-2-[(acryloyloxy)methyl]propyl acrylate (non-preferred name),CCC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,CCC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C28H36O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-11H,1-5,12-20H2,6H3",C28H36O13,,,,,,HIVQCJOGAHNXBO-UHFFFAOYSA-N,,,,,,,,,,,
100.074.729,282-228-2,84145-05-1,"(2-hydroxyethyl)ammonium phosphate, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine","tris(2-hydroxyethanaminium) phosphate - N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine (1:1)",NCCNCCNCCNCCN.[NH3+]CCO.[NH3+]CCO.[NH3+]CCO.[O-]P(=O)([O-])[O-],NCCNCCNCCNCCN.[NH3+]CCO.[NH3+]CCO.[NH3+]CCO.[O-]P(=O)([O-])[O-],"InChI=1/C8H23N5.3C2H7NO.H3O4P/c9-1-3-11-5-7-13-8-6-12-4-2-10;3*3-1-2-4;1-5(2,3)4/h11-13H,1-10H2;3*4H,1-3H2;(H3,1,2,3,4)",C8H23N5.xC2H7NO.xH3O4P,,,,,,JIIXHIBMGHZTJV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.737,282-237-1,84145-13-1,Ethylene bis[(dodecylthio)acetate],"ethane-1,2-diyl bis[(dodecylsulfanyl)acetate]",CCCCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCCCC,CCCCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCCCC,"InChI=1/C30H58O4S2/c1-3-5-7-9-11-13-15-17-19-21-25-35-27-29(31)33-23-24-34-30(32)28-36-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C30H58O4S2,,,,,,ITOVYIDFTXLTHV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.652,278-839-9,78110-38-0,Aztreonam,"3-({(2-ammonio-1,3-thiazol-4-yl)[(1-carboxy-1-methylethoxy)imino]acetyl}amino)-2-methyl-4-oxoazetidine-1-sulfonate",[NH3+]c1nc(cs1)C(=NOC(C)(C)C(O)=O)C(=O)N[C@@H]2C(=O)N([C@H]2C)S([O-])(=O)=O,[NH3+]c1nc(cs1)C(=NOC(C)(C)C(O)=O)C(=O)N[C@@H]2C(=O)N([C@H]2C)S([O-])(=O)=O,"InChI=1/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)",C13H17N5O8S2,,,,,,WZPBZJONDBGPKJ-FSPLSTOPSA-N,,,,,,,,,,,
100.071.660,278-848-8,78137-46-9,"2-ethylhexane-1,2,3-triol","2-ethylhexane-1,2,3-triol",CCCC(O)C(O)(CC)CO,CCCC(O)C(O)(CC)CO,"InChI=1/C8H18O3/c1-3-5-7(10)8(11,4-2)6-9/h7,9-11H,3-6H2,1-2H3",C8H18O3,,,,,,REWWIIBUGWWCGY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.982,280-303-4,83249-35-8,2-[(4-ethoxyphenyl)azo]-1-naphthol,2-[(4-ethoxyphenyl)diazenyl]-1-naphthol,CCOc1ccc(cc1)N=Nc3ccc2ccccc2c3O,CCOc1ccc(cc1)N=Nc3ccc2ccccc2c3O,"InChI=1/C18H16N2O2/c1-2-22-15-10-8-14(9-11-15)19-20-17-12-7-13-5-3-4-6-16(13)18(17)21/h3-12,21H,2H2,1H3",C18H16N2O2,,,,,,VAZSTSILCJFPMW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.211,258-550-4,53425-82-4,"N-[(1-acetyl-1,2,3,4-tetrahydro-6-methyl-7-nitro-2-quinolyl)methyl]-N-isopropylacetamide","N-[(1-acetyl-6-methyl-7-nitro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]-N-isopropylacetamide",CC(C)N(CC1CCc2cc(C)c(cc2N1C(=O)C)[N+](=O)[O-])C(=O)C,CC(C)N(CC1CCc2cc(C)c(cc2N1C(=O)C)[N+](=O)[O-])C(=O)C,"InChI=1/C18H25N3O4/c1-11(2)19(13(4)22)10-16-7-6-15-8-12(3)17(21(24)25)9-18(15)20(16)14(5)23/h8-9,11,16H,6-7,10H2,1-5H3",C18H25N3O4,,,,,,SOHBKIPPFVSCJH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.214,258-554-6,53443-93-9,2-ethyl-6-isopropylaniline,2-ethyl-6-isopropylaniline,CCc1cccc(C(C)C)c1N,CCc1cccc(C(C)C)c1N,"InChI=1/C11H17N/c1-4-9-6-5-7-10(8(2)3)11(9)12/h5-8H,4,12H2,1-3H3",C11H17N,,,,,,OTZUSNPBNWUXCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.220,258-560-9,53448-53-6,"1,4-anhydro-D-xylitol","1,4-anhydro-D-xylitol",OC[C@H]1OC[C@H](O)[C@H]1O,OC[C@H]1OC[C@H](O)[C@H]1O,"InChI=1/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2",C5H10O4,,,,,,KZVAAIRBJJYZOW-VPENINKCSA-N,,,,,,,,,,,
100.053.222,258-563-5,53451-16-4,"Isopropyl 3,5,5-trimethylhexanoate","isopropyl 3,5,5-trimethylhexanoate",CC(C)OC(=O)CC(C)CC(C)(C)C,CC(C)OC(=O)CC(C)CC(C)(C)C,"InChI=1/C12H24O2/c1-9(2)14-11(13)7-10(3)8-12(4,5)6/h9-10H,7-8H2,1-6H3",C12H24O2,,,,,,DPRDCWLARMPWSR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.230,258-571-9,53461-86-2,"Bis[(5-ethyl-1,3-dioxan-5-yl)methyl] thioperoxydicarbonate","5,5'-[disulfanediylbis(carbonothioyloxymethylene)]bis(5-ethyl-1,3-dioxane)",CCC1(COC(=S)SSC(=S)OCC2(CC)COCOC2)COCOC1,CCC1(COC(=S)SSC(=S)OCC2(CC)COCOC2)COCOC1,"InChI=1/C16H26O6S4/c1-3-15(5-17-11-18-6-15)9-21-13(23)25-26-14(24)22-10-16(4-2)7-19-12-20-8-16/h3-12H2,1-2H3",C16H26O6S4,,,,,,CIGCHYLTWDTUCB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.231,258-572-4,53463-68-6,10-bromodecanol,10-bromodecan-1-ol,OCCCCCCCCCCBr,OCCCCCCCCCCBr,"InChI=1/C10H21BrO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2",C10H21BrO,,,,,,LGZMUUBPTDRQQM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.233,258-575-0,53473-28-2,"Hexapotassium dihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","hexapotassium dihydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.6K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;/q;6*+1/p-8",C10H28N2O12P4.6K,,,,,,RUFVOGKVSDNDBQ-UHFFFAOYSA-F,,,,,,,,,,,
100.053.239,258-581-3,53484-51-8,Isopropyl (E)-p-methoxycinnamate,isopropyl 3-(4-methoxyphenyl)acrylate,COc1ccc(\\C=C\\C(=O)OC(C)C)cc1,COc1ccc(\C=C\C(=O)OC(C)C)cc1,"InChI=1/C13H16O3/c1-10(2)16-13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3",C13H16O3,,,,,,XATKDVHSLQMHSY-RMKNXTFCSA-N,,,,,,,,,,,
100.053.243,258-586-0,53498-32-1,"2-isobutyl-4,5-dimethylthiazole","2-isobutyl-4,5-dimethyl-1,3-thiazole",CC(C)Cc1nc(C)c(C)s1,CC(C)Cc1nc(C)c(C)s1,"InChI=1/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3",C9H15NS,,,,,,NSVPHVLZAKJSGV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.246,258-589-7,53503-90-5,"a,a',2,5-tetramethylpiperazine-1,4-diethanol","1,1'-(2,5-dimethylpiperazine-1,4-diyl)dipropan-2-ol",CC(O)CN1CC(C)N(CC(C)O)CC1C,CC(O)CN1CC(C)N(CC(C)O)CC1C,"InChI=1/C12H26N2O2/c1-9-5-14(8-12(4)16)10(2)6-13(9)7-11(3)15/h9-12,15-16H,5-8H2,1-4H3",C12H26N2O2,,,,,,DTQIXUAQWTUJSV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.247,258-590-2,53505-74-1,N-[3-[(3-aminopropyl)amino]propyl]stearamide monoacetate,N-{3-[(3-aminopropyl)amino]propyl}octadecanamide acetate,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCN.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCN.CC(=O)O,"InChI=1/C24H51N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(28)27-23-18-22-26-21-17-20-25;1-2(3)4/h26H,2-23,25H2,1H3,(H,27,28);1H3,(H,3,4)",C24H51N3O.C2H4O2,,,,,,OSWWZRYSHXCAEV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.508,285-289-3,85068-28-6,"2,6-difluorophenylacetic acid","(2,6-difluorophenyl)acetic acid",OC(=O)Cc1c(F)cccc1F,OC(=O)Cc1c(F)cccc1F,"InChI=1/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)",C8H6F2O2,,,,,,FUGDCKXBUZFEON-UHFFFAOYSA-N,,,,,,,,,,,
100.077.509,285-290-9,85068-29-7,"3,5-bis(trifluoromethyl)benzylamine","1-[3,5-bis(trifluoromethyl)phenyl]methanamine",NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F,NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2",C9H7F6N,,,,,,DHVHORCFFOSRBP-UHFFFAOYSA-N,,,,,,,,,,,
100.077.515,285-297-7,85068-35-5,"2,4-difluorobenzophenone","(2,4-difluorophenyl)(phenyl)methanone",Fc1ccc(C(=O)c2ccccc2)c(F)c1,Fc1ccc(C(=O)c2ccccc2)c(F)c1,InChI=1/C13H8F2O/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H,C13H8F2O,,,,,,FRHMSTHFVFIPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.518,285-300-1,85068-38-8,4-(1-aminopropyl)phenol,4-(1-aminopropyl)phenol,CCC(N)c1ccc(O)cc1,CCC(N)c1ccc(O)cc1,"InChI=1/C9H13NO/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9,11H,2,10H2,1H3",C9H13NO,,,,,,WTQZYHPAVNTISM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.521,285-303-8,85068-42-4,N-acetyl-N-(4-hydroxyphenyl)benzamide,N-acetyl-N-(4-hydroxyphenyl)benzamide,CC(=O)N(C(=O)c1ccccc1)c2ccc(O)cc2,CC(=O)N(C(=O)c1ccccc1)c2ccc(O)cc2,"InChI=1/C15H13NO3/c1-11(17)16(13-7-9-14(18)10-8-13)15(19)12-5-3-2-4-6-12/h2-10,18H,1H3",C15H13NO3,,,,,,DVBKBLSNTKQOIE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.527,285-310-6,85068-50-4,"2-thenoic acid, compound with 2-aminoethanol (1:1)",thiophene-2-carboxylic acid - 2-aminoethanol (1:1),NCCO.OC(=O)c1cccs1,NCCO.OC(=O)c1cccs1,"InChI=1/C5H4O2S.C2H7NO/c6-5(7)4-2-1-3-8-4;3-1-2-4/h1-3H,(H,6,7);4H,1-3H2",C5H4O2S.C2H7NO,,,,,,BUXYWKIBCKLDCG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.529,285-312-7,85068-52-6,"3,6,9,12,15,18-hexaoxaicosane-1,20-diyl di(undec-10-enoate)","22-oxo-3,6,9,12,15,18,21-heptaoxadotriacont-31-en-1-yl undec-10-enoate (non-preferred name)",C=CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCC=C,C=CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCC=C,"InChI=1/C36H66O10/c1-3-5-7-9-11-13-15-17-19-35(37)45-33-31-43-29-27-41-25-23-39-21-22-40-24-26-42-28-30-44-32-34-46-36(38)20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-34H2",C36H66O10,,,,,,IFTBBSBRIXUVBU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.533,285-316-9,85068-59-3,"3-[(4-amino-2,5-disulphophenyl)amino]-10-[(4-amino-3-sulphophenyl)amino]-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid","3-[(4-amino-2,5-disulfophenyl)amino]-10-[(4-amino-3-sulfophenyl)amino]-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",Nc1ccc(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7cc(c(N)cc7S(=O)(=O)O)S(=O)(=O)O)c6S(=O)(=O)O)N=C5C(=C4Oc3c2S(=O)(=O)O)Cl)Cl)cc1S(=O)(=O)O,Nc1ccc(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7cc(c(N)cc7S(=O)(=O)O)S(=O)(=O)O)c6S(=O)(=O)O)N=C5C(=C4Oc3c2S(=O)(=O)O)Cl)Cl)cc1S(=O)(=O)O,"InChI=1/C30H20Cl2N6O17S5/c31-21-24-28(55-26-14(38-24)4-6-16(30(26)60(51,52)53)36-17-9-19(57(42,43)44)12(34)8-20(17)58(45,46)47)22(32)23-27(21)54-25-13(37-23)3-5-15(29(25)59(48,49)50)35-10-1-2-11(33)18(7-10)56(39,40)41/h1-9,35-36H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)",C30H20Cl2N6O17S5,,,,,,VOMRAMAPLYGCTN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.534,285-317-4,85068-60-6,"Ammonium sodium 2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulphonatophenyl)ethyl]-3-pyridyl]azo]-5-[(3-phosphonophenyl)azo]benzenesulphonate","ammonium sodium 2-({5-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfonatophenyl)ethyl]-1,6-dihydropyridin-3-yl}diazenyl)-5-[(3-phosphonophenyl)diazenyl]benzenesulfonate",[NH4+].[Na+].OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=N/C3=C(\\O)N(CCc2ccc(cc2)S([O-])(=O)=O)C(=O)/C(=C3/C)C(N)=O)c(c4)S([O-])(=O)=O,[NH4+].[Na+].OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=N/C3=C(\O)N(CCc2ccc(cc2)S([O-])(=O)=O)C(=O)/C(=C3/C)C(N)=O)c(c4)S([O-])(=O)=O,"InChI=1/C27H25N6O12PS2.H3N.Na/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39;;/h2-10,13-14,36H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45);1H3;/q;;+1/p-1",C27H25N6O12PS2.xH3N.xNa,,,,,,LQERYFZJCYQFLI-UHFFFAOYSA-M,,,,,,,,,,,
100.071.534,278-710-7,77528-64-4,"Ethyl 4,5,6,7-tetrahydro-2-methylbenzothiazole-5-carboxylate","ethyl 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxylate",CCOC(=O)C1CCc2sc(C)nc2C1,CCOC(=O)C1CCc2sc(C)nc2C1,"InChI=1/C11H15NO2S/c1-3-14-11(13)8-4-5-10-9(6-8)12-7(2)15-10/h8H,3-6H2,1-2H3",C11H15NO2S,,,,,,KLYDWMHKPCZUCD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.547,278-724-3,77562-07-3,"1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one O-(phenylmethyl)oxime","1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone O-benzyloxime",Clc3ccc(C(=NOCc1ccccc1)Cn2cncn2)c(Cl)c3,Clc3ccc(C(=NOCc1ccccc1)Cn2cncn2)c(Cl)c3,"InChI=1/C17H14Cl2N4O/c18-14-6-7-15(16(19)8-14)17(9-23-12-20-11-21-23)22-24-10-13-4-2-1-3-5-13/h1-8,11-12H,9-10H2",C17H14Cl2N4O,,,,,,PFSFZMGHUUOHON-UHFFFAOYSA-N,,,,,,,,,,,
100.071.549,278-726-4,77582-39-9,Sodium 2-pentadecyl-1H-benzimidazole-5-carboxylate,sodium 2-pentadecyl-1H-benzimidazole-5-carboxylate,[Na+].CCCCCCCCCCCCCCCc1nc2cc(ccc2[nH]1)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCc1nc2cc(ccc2[nH]1)C(=O)[O-],"InChI=1/C23H36N2O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-24-20-17-16-19(23(26)27)18-21(20)25-22;/h16-18H,2-15H2,1H3,(H,24,25)(H,26,27);/q;+1/p-1",C23H36N2O2.Na,,,,,,OGLYYBPHNMDRHN-UHFFFAOYSA-M,,,,,,,,,,,
100.051.439,256-602-0,50485-67-1,trans-3-chlorodihydro-5-methylfuran-2(3H)-one,3-chloro-5-methyldihydrofuran-2(3H)-one,C[C@@H]1C[C@@H](Cl)C(=O)O1,C[C@@H]1C[C@@H](Cl)C(=O)O1,"InChI=1/C5H7ClO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3",C5H7ClO2,,,,,,RQQWSVYYNYGIOF-QWWZWVQMSA-N,,,,,,,,,,,
100.051.440,256-603-6,50486-18-5,"2,3-dihydroxypropyl 16-methylheptadecanoate","2,3-dihydroxypropyl 16-methylheptadecanoate",CC(C)CCCCCCCCCCCCCCC(=O)OCC(O)CO,CC(C)CCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-18-20(23)17-22/h19-20,22-23H,3-18H2,1-2H3",C21H42O4,,,,,,ASKIVFGGGGIGKH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.446,256-609-9,50516-42-2,"2,3-dihydro-3-(oxiranylmethoxy)-2-phenyl-1H-isoindol-1-one",3-(oxiran-2-ylmethoxy)-2-phenylisoindolin-1-one,O=C1N(C(OCC2CO2)c3ccccc13)c4ccccc4,O=C1N(C(OCC2CO2)c3ccccc13)c4ccccc4,"InChI=1/C17H15NO3/c19-16-14-8-4-5-9-15(14)17(21-11-13-10-20-13)18(16)12-6-2-1-3-7-12/h1-9,13,17H,10-11H2",C17H15NO3,,,,,,WQQWREQEWITCBP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.082,256-208-9,45233-61-2,"N,N-bis(2-hydroxyethyl)undecanamide","N,N-bis(2-hydroxyethyl)undecanamide",CCCCCCCCCCC(=O)N(CCO)CCO,CCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C15H31NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h17-18H,2-14H2,1H3",C15H31NO3,,,,,,ZDJBDLYSTNLOIW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.084,256-211-5,45236-96-2,Allyl myristate,allyl myristate,CCCCCCCCCCCCCC(=O)OCC=C,CCCCCCCCCCCCCC(=O)OCC=C,"InChI=1/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h4H,2-3,5-16H2,1H3",C17H32O2,,,,,,FFXFQWSEFSLIKK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.085,256-212-0,45244-49-3,N-[2-[(2-aminoethyl)amino]ethyl]dodecanamide,N-{2-[(2-aminoethyl)amino]ethyl}dodecanamide,CCCCCCCCCCCC(=O)NCCNCCN,CCCCCCCCCCCC(=O)NCCNCCN,"InChI=1/C16H35N3O/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-14-18-13-12-17/h18H,2-15,17H2,1H3,(H,19,20)",C16H35N3O,,,,,,IKGMUURUKOAOQL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.090,256-217-8,45280-68-0,9-octadecenyl methacrylate,octadec-9-en-1-yl methacrylate,CC(=C)C(=O)OCCCCCCCCC=CCCCCCCCC,CC(=C)C(=O)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h11-12H,2,4-10,13-20H2,1,3H3",C22H40O2,,,,,,BXOBFMUWVVHLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.092,256-219-9,45290-16-2,1-carboxyethyl oleate,2-(oleoyloxy)propanoic acid,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)O,"InChI=1/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24)",C21H38O4,,,,,,QFOLLQAEFFNUKU-KHPPLWFESA-N,,,,,,,,,,,
100.051.096,256-224-6,45296-31-9,Henicosyl methacrylate,henicosyl methacrylate,CCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C25H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-25(26)24(2)3/h2,4-23H2,1,3H3",C25H48O2,,,,,,BYFBMQIXUIFFAU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.103,256-231-4,45319-57-1,Methyldioctadecyl(3-sulphopropyl)ammonium hydroxide,N-methyl-N-octadecyl-N-(3-sulfopropyl)octadecan-1-aminium hydroxide,[OH-].CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCS(=O)(=O)O,[OH-].CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCS(=O)(=O)O,"InChI=1/C40H83NO3S.H2O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41(3,39-36-40-45(42,43)44)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h4-40H2,1-3H3;1H2",C40H83NO3S,,,,,,AIGJXJOKJZSSLT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.105,256-234-0,45322-31-4,Didocosyl fumarate,didocosyl but-2-enedioate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)\\C=C\\C(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C48H92O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-51-47(49)43-44-48(50)52-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44H,3-42,45-46H2,1-2H3",C48H92O4,,,,,,STDUJGRYOCDXBT-VGFSZAGXSA-N,,,,,,,,,,,
100.051.109,256-238-2,45378-62-9,[(methylthio)methyl]oxirane,2-[(methylsulfanyl)methyl]oxirane,CSCC1CO1,CSCC1CO1,"InChI=1/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3",C4H8OS,,,,,,OSIXFNQHNPOVIA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.116,256-246-6,45810-08-0,4-pyridyldithiocarbamic acid,pyridin-4-ylcarbamodithioic acid,SC(=S)Nc1ccncc1,SC(=S)Nc1ccncc1,"InChI=1/C6H6N2S2/c9-6(10)8-5-1-3-7-4-2-5/h1-4H,(H2,7,8,9,10)",C6H6N2S2,,,,,,FSUJNLGZJFPIBE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.117,256-247-1,45828-32-8,9-oxabicyclo[6.1.0]nonan-2-ol,9-oxabicyclo[6.1.0]nonan-2-ol,OC1CCCCCC2OC12,OC1CCCCCC2OC12,"InChI=1/C8H14O2/c9-6-4-2-1-3-5-7-8(6)10-7/h6-9H,1-5H2",C8H14O2,,,,,,BPTGWPMLXFRPHK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.121,256-251-3,46034-20-2,1-(2-methylbutyryl)piperidine,1-(2-methylbutanoyl)piperidine,CCC(C)C(=O)N1CCCCC1,CCC(C)C(=O)N1CCCCC1,"InChI=1/C10H19NO/c1-3-9(2)10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3",C10H19NO,,,,,,DLBXFSLJOBEJOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.751,258-045-9,52612-42-7,"(1R-cis)-1-(2,2,6-trimethylcyclohexyl)ethanone","1-(2,2,6-trimethylcyclohexyl)ethanone",CC1CCCC(C)(C)C1C(=O)C,CC1CCCC(C)(C)C1C(=O)C,"InChI=1/C11H20O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h8,10H,5-7H2,1-4H3",C11H20O,,,,,,LGEFCQRTSXYJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.059,252-880-2,36120-75-9,Methyl(vinyl)phosphinic chloride,methyl(vinyl)phosphinic chloride,CP(=O)(Cl)C=C,CP(=O)(Cl)C=C,"InChI=1/C3H6ClOP/c1-3-6(2,4)5/h3H,1H2,2H3",C3H6ClOP,,,,,,GYTPJBLRBFIDLC-UHFFFAOYSA-N,,,,,,,,,,,
100.074.742,282-242-9,84145-18-6,"1,1,2,2,3,3-hexafluoro-1-[(trifluorovinyl)oxy]propane","1,1,2,2,3,3-hexafluoro-1-[(trifluorovinyl)oxy]propane",FC(F)C(F)(F)C(F)(F)OC(=C(F)F)F,FC(F)C(F)(F)C(F)(F)OC(=C(F)F)F,"InChI=1/C5HF9O/c6-1(7)2(8)15-5(13,14)4(11,12)3(9)10/h3H",C5HF9O,,,,,,ZCOLNYMULWIGPK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.744,282-245-5,84145-20-0,"3-(3-chloro-1,1,2,2,3,3-hexafluoropropoxy)propene","3-(3-chloro-1,1,2,2,3,3-hexafluoropropoxy)prop-1-ene",FC(F)(Cl)C(F)(F)C(F)(F)OCC=C,FC(F)(Cl)C(F)(F)C(F)(F)OCC=C,"InChI=1/C6H5ClF6O/c1-2-3-14-6(12,13)4(8,9)5(7,10)11/h2H,1,3H2",C6H5ClF6O,,,,,,VAQJIPPXPMGFRW-UHFFFAOYSA-N,,,,,,,,,,,
100.074.745,282-246-0,84145-21-1,"Allyl 3-chloro-2,2,3,3-tetrafluoropropionate","allyl 3-chloro-2,2,3,3-tetrafluoropropanoate",FC(F)(Cl)C(F)(F)C(=O)OCC=C,FC(F)(Cl)C(F)(F)C(=O)OCC=C,"InChI=1/C6H5ClF4O2/c1-2-3-13-4(12)5(8,9)6(7,10)11/h2H,1,3H2",C6H5ClF4O2,,,,,,LLPBXFSEYUYFDS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.747,282-248-1,84145-23-3,Ethyl 4-oxo-3-(phenylmethoxy)piperidine-1-carboxylate,ethyl 3-(benzyloxy)-4-oxopiperidine-1-carboxylate,CCOC(=O)N1CCC(=O)C(C1)OCc2ccccc2,CCOC(=O)N1CCC(=O)C(C1)OCc2ccccc2,"InChI=1/C15H19NO4/c1-2-19-15(18)16-9-8-13(17)14(10-16)20-11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3",C15H19NO4,,,,,,SZYRUOZKAHIWLV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.547,285-332-6,85068-73-1,2-(ethylnitroamino)ethyl nitrate,2-[ethyl(nitro)amino]ethyl nitrate,CCN(CCO[N+](=O)[O-])[N+](=O)[O-],CCN(CCO[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C4H9N3O5/c1-2-5(6(8)9)3-4-12-7(10)11/h2-4H2,1H3",C4H9N3O5,,,,,,JOPZHCIUTNIPAH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.550,285-335-2,85079-76-1,"N,N-dibenzyl-3'-(2-methylpropyl)-2,2'-spirobi[2H-1-benzopyran]-7-amine","N,N-dibenzyl-3'-isobutyl-2,2'-spirobi[chromen]-7-amine",CC(C)CC1=Cc2ccccc2OC13Oc4cc(ccc4C=C3)N(Cc5ccccc5)Cc6ccccc6,CC(C)CC1=Cc2ccccc2OC13Oc4cc(ccc4C=C3)N(Cc5ccccc5)Cc6ccccc6,"InChI=1/C35H33NO2/c1-26(2)21-31-22-30-15-9-10-16-33(30)37-35(31)20-19-29-17-18-32(23-34(29)38-35)36(24-27-11-5-3-6-12-27)25-28-13-7-4-8-14-28/h3-20,22-23,26H,21,24-25H2,1-2H3",C35H33NO2,,,,,,HZAVOHHFAYZZPH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.552,285-337-3,85080-82-6,"(5a,7a)-a-tert-butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-a,17-dimethyl-6,14-ethenomorphinan-7-methanol","2-(3,6-dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl)-3,3-dimethylbutan-2-ol",COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]6(CC[C@@]35C[C@@H]6C(C)(O)C(C)(C)C)OC,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]6(CC[C@@]35C[C@@H]6C(C)(O)C(C)(C)C)OC,"InChI=1/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3",C27H39NO4,,,,,,KNDFXYGKWIQXNP-ZGPFIDFOSA-N,,,,,,,,,,,
100.071.579,278-759-4,77753-71-0,"Vinyl 9-oxo-2,5,8,10-tetraoxadodec-11-enoate","oxydiethane-2,1-diyl divinyl biscarbonate",C=COC(=O)OCCOCCOC(=O)OC=C,C=COC(=O)OCCOCCOC(=O)OC=C,"InChI=1/C10H14O7/c1-3-14-9(11)16-7-5-13-6-8-17-10(12)15-4-2/h3-4H,1-2,5-8H2",C10H14O7,,,,,,UQXAJSCITZRYBL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.581,278-762-0,77758-68-0,"ß,4-dimethyl-a-methylenecyclohexanepropionaldehyde",3-(4-methylcyclohexyl)-2-methylenebutanal,CC(C1CCC(C)CC1)C(=C)C=O,CC(C1CCC(C)CC1)C(=C)C=O,"InChI=1/C12H20O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h8-9,11-12H,2,4-7H2,1,3H3",C12H20O,,,,,,YIAJIVSUDZUUOG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.583,278-764-1,77771-02-9,3-bromo-4-fluorobenzaldehyde,3-bromo-4-fluorobenzaldehyde,Fc1ccc(C=O)cc1Br,Fc1ccc(C=O)cc1Br,InChI=1/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H,C7H4BrFO,,,,,,FAHZIKXYYRGSHF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.585,278-766-2,77772-06-6,3-methylundecanal,3-methylundecanal,CCCCCCCCC(C)CC=O,CCCCCCCCC(C)CC=O,"InChI=1/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-11-13/h11-12H,3-10H2,1-2H3",C12H24O,,,,,,SXYARAIVIPVMGK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.587,278-768-3,77794-93-5,Benzyltriethylammonium tetrafluoroborate,"N-benzyl-N,N-diethylethanaminium tetrafluoroborate",CC[N+](CC)(CC)Cc1ccccc1.F[B-](F)(F)F,CC[N+](CC)(CC)Cc1ccccc1.F[B-](F)(F)F,"InChI=1/C13H22N.BF4/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2-1(3,4)5/h7-11H,4-6,12H2,1-3H3;/q+1;-1",C13H22N.BF4,,,,,,KJWXXJMAQURGGG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.601,278-784-0,77887-91-3,"1,4,7,10,13,16-hexaoxacyclononadecan-18-ol","1,4,7,10,13,16-hexaoxacyclononadecan-18-ol",OC1COCCOCCOCCOCCOCCOC1,OC1COCCOCCOCCOCCOCCOC1,"InChI=1/C13H26O7/c14-13-11-19-9-7-17-5-3-15-1-2-16-4-6-18-8-10-20-12-13/h13-14H,1-12H2",C13H26O7,,,,,,KWDYSDBSDSEBEE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.605,278-788-2,77898-96-5,"1,3-dibromo-2-(2,3-dibromopropoxy)-5-methylbenzene","1,3-dibromo-2-(2,3-dibromopropoxy)-5-methylbenzene",Cc1cc(Br)c(OCC(Br)CBr)c(Br)c1,Cc1cc(Br)c(OCC(Br)CBr)c(Br)c1,"InChI=1/C10H10Br4O/c1-6-2-8(13)10(9(14)3-6)15-5-7(12)4-11/h2-3,7H,4-5H2,1H3",C10H10Br4O,,,,,,XPMYXNJOFNBHOK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.606,278-789-8,77902-86-4,"Sulphuric acid, compound with 2H-1-benzopyran-2-one (1:1)",2H-chromen-2-one - sulfuric acid (1:1),OS(=O)(=O)O.O=C1Oc2ccccc2C=C1,OS(=O)(=O)O.O=C1Oc2ccccc2C=C1,"InChI=1/C9H6O2.H2O4S/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-5(2,3)4/h1-6H;(H2,1,2,3,4)",C9H6O2.H2O4S,,,,,,QXZPQBBNKOEEPH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.251,250-892-2,32004-67-4,5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid,{5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid,CSc1ccc(cc1)C=C3c2ccc(F)cc2C(\\CC(O)=O)=C3\\C,CSc1ccc(cc1)C=C3c2ccc(F)cc2C(\CC(O)=O)=C3\C,"InChI=1/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)",C20H17FO2S,,,,,,LFWHFZJPXXOYNR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.757,280-056-2,82866-92-0,(2-hydroxyethyl)[11-[(2-hydroxyphenethyl)methylamino]undecyl]methylphenacylammonium chloride,N-(2-hydroxyethyl)-11-{[2-(2-hydroxyphenyl)ethyl](methyl)amino}-N-methyl-N-(2-oxo-2-phenylethyl)undecan-1-aminium chloride,[Cl-].CN(CCCCCCCCCCC[N+](C)(CCO)CC(=O)c1ccccc1)CCc2ccccc2O,[Cl-].CN(CCCCCCCCCCC[N+](C)(CCO)CC(=O)c1ccccc1)CCc2ccccc2O,"InChI=1/C31H48N2O3.ClH/c1-32(23-21-29-19-13-14-20-30(29)35)22-15-8-6-4-3-5-7-9-16-24-33(2,25-26-34)27-31(36)28-17-11-10-12-18-28;/h10-14,17-20,34H,3-9,15-16,21-27H2,1-2H3;1H",C31H51N2O3.Cl,,,,,,KHINYHOBHRBSJN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.761,280-060-4,82919-37-7,"Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate","methyl 1,2,2,6,6-pentamethylpiperidin-4-yl sebacate",COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1,COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1,"InChI=1/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3",C21H39NO4,,,,,,OTCWVYFQGYOYJO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.772,280-073-5,82944-33-0,"Disodium 4,4'-bis[[1,4-dihydro-6-[(2-hydroxyethyl)amino]-4-oxo-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({6-[(2-hydroxyethyl)amino]-4-oxo-1,4-dihydro-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].OCCNC1=NC(=O)N=C(Nc2ccc(\\C=C\\c3ccc(NC4=NC(=O)N=C(NCCO)N4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])N1,[Na+].[Na+].OCCNC1=NC(=O)N=C(Nc2ccc(\C=C\c3ccc(NC4=NC(=O)N=C(NCCO)N4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])N1,"InChI=1/C24H26N10O10S2.2Na/c35-9-7-25-19-29-21(33-23(37)31-19)27-15-5-3-13(17(11-15)45(39,40)41)1-2-14-4-6-16(12-18(14)46(42,43)44)28-22-30-20(26-8-10-36)32-24(38)34-22;;/h1-6,11-12,35-36H,7-10H2,(H,39,40,41)(H,42,43,44)(H3,25,27,29,31,33,37)(H3,26,28,30,32,34,38);;/q;2*+1/p-2",C24H26N10O10S2.2Na,,,,,,QAQDCPAQBWTYJV-SEPHDYHBSA-L,,,,,,,,,,,
100.072.773,280-074-0,82944-42-1,"Tetrasodium 3,3'-[(1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)","tetrasodium 3,3'-{(6-oxo-1,6-dihydro-1,3,5-triazine-2,4-diyl)bis[imino(5-methoxy-2-methyl-4,1-phenylene)diazene-2,1-diyl]}dinaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].O=C/7NC(/Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)=N\\C(Nc6cc(C)c(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)=N\\7,[Na+].[Na+].[Na+].[Na+].O=C/7NC(/Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)=N\C(Nc6cc(C)c(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)=N\7,"InChI=1/C39H33N9O15S4.4Na/c1-19-11-29(31(62-3)17-27(19)47-45-21-13-25-23(35(15-21)66(56,57)58)7-5-9-33(25)64(50,51)52)40-37-42-38(44-39(49)43-37)41-30-12-20(2)28(18-32(30)63-4)48-46-22-14-26-24(36(16-22)67(59,60)61)8-6-10-34(26)65(53,54)55;;;;/h5-18H,1-4H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H3,40,41,42,43,44,49);;;;/q;4*+1/p-4",C39H33N9O15S4.4Na,,,,,,JYJMXXAOKYZSSD-UHFFFAOYSA-J,,,,,,,,,,,
100.072.775,280-076-1,82963-02-8,Chloro[(2-ethyl-1-oxohexyl)oxy]dimethylstannane,chloro[(2-ethylhexanoyl)oxy]dimethylstannane,CCCCC(CC)C(=O)O[Sn](C)(C)Cl,CCCCC(CC)C(=O)O[Sn](C)(C)Cl,"InChI=1/C8H16O2.2CH3.ClH.Sn/c1-3-5-6-7(4-2)8(9)10;;;;/h7H,3-6H2,1-2H3,(H,9,10);2*1H3;1H;/q;;;;+2/p-2/rC10H21ClO2Sn/c1-5-7-8-9(6-2)10(12)13-14(3,4)11/h9H,5-8H2,1-4H3",C10H21ClO2Sn,,,,,,YGRKITFOOIGFQG-UHFFFAOYSA-L,,,,,,,,,,,
100.072.777,280-078-2,82975-75-5,"2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate",3-(nitrooxy)-2-[(nitrooxy)methyl]propyl nitrate (non-preferred name),[O-][N+](=O)OCC(CO[N+](=O)[O-])CO[N+](=O)[O-],[O-][N+](=O)OCC(CO[N+](=O)[O-])CO[N+](=O)[O-],"InChI=1/C4H7N3O9/c8-5(9)14-1-4(2-15-6(10)11)3-16-7(12)13/h4H,1-3H2",C4H7N3O9,,,,,,ZZDGRYRPZQYFCN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.151,277-189-3,72987-59-8,2-(4-methylphenoxy)-1-(2-phenylethoxy)ethanol,2-(4-methylphenoxy)-1-(2-phenylethoxy)ethanol,Cc1ccc(OCC(O)OCCc2ccccc2)cc1,Cc1ccc(OCC(O)OCCc2ccccc2)cc1,"InChI=1/C17H20O3/c1-14-7-9-16(10-8-14)20-13-17(18)19-12-11-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3",C17H20O3,,,,,,DHQFANPUVQZDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.152,277-190-9,72987-60-1,4-cyclopentyl-2-methylcyclohexan-1-ol,4-cyclopentyl-2-methylcyclohexanol,CC1CC(CCC1O)C2CCCC2,CC1CC(CCC1O)C2CCCC2,"InChI=1/C12H22O/c1-9-8-11(6-7-12(9)13)10-4-2-3-5-10/h9-13H,2-8H2,1H3",C12H22O,,,,,,NPNPPGCLAHDWKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.163,277-202-2,73003-74-4,2-(ethylthio)-3-(2-methylpropyl)pyrazine,2-(ethylsulfanyl)-3-isobutylpyrazine,CCSc1nccnc1CC(C)C,CCSc1nccnc1CC(C)C,"InChI=1/C10H16N2S/c1-4-13-10-9(7-8(2)3)11-5-6-12-10/h5-6,8H,4,7H2,1-3H3",C10H16N2S,,,,,,DGQMCLSYOVKMIK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.563,278-742-1,77655-25-5,"N,N'-di-2-thiazolylethylenediamine","N,N'-di-1,3-thiazol-2-ylethane-1,2-diamine",C(CNc1nccs1)Nc2nccs2,C(CNc1nccs1)Nc2nccs2,"InChI=1/C8H10N4S2/c1(9-7-11-3-5-13-7)2-10-8-12-4-6-14-8/h3-6H,1-2H2,(H,9,11)(H,10,12)",C8H10N4S2,,,,,,KPNMIUVGCUTFQY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.571,278-751-0,77698-73-8,"(E,E)-1,5-dideoxy-1,5-(hexa-2,4-dien-1-ylimino)-D-glucitol","1-hexa-2,4-dien-1-yl-2-(hydroxymethyl)piperidine-3,4,5-triol",C\\C=C\\C=C\\CN1C[C@H](O)[C@@H](O)[C@H](O)C1CO,C\C=C\C=C\CN1C[C@H](O)[C@@H](O)[C@H](O)C1CO,"InChI=1/C12H21NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h2-5,9-12,14-17H,6-8H2,1H3",C12H21NO4,,,,,,YRFCEEWIXYBDJU-RWPQLMKOSA-N,,,,,,,,,,,
100.072.853,280-161-3,83027-59-2,"Disodium 5-amino-9,10-dihydro-6-methyl-8-[(4-methylsulphonatophenyl)amino]-9,10-dioxoanthracenesulphonate","disodium 5-amino-6-methyl-8-[(4-methyl-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[Na+].[Na+].Cc1ccc(Nc2cc(C)c(N)c3C(=O)c4cccc(c4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Cc1ccc(Nc2cc(C)c(N)c3C(=O)c4cccc(c4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C22H18N2O8S2.2Na/c1-10-6-7-13(16(8-10)34(30,31)32)24-14-9-11(2)20(23)19-18(14)22(26)17-12(21(19)25)4-3-5-15(17)33(27,28)29;;/h3-9,24H,23H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C22H18N2O8S2.2Na,,,,,,KWCMAYCHELZXLQ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.862,280-171-8,83044-89-7,Octyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate,octyl 3-[3-tert-butyl-5-(5-chloro-2H-benzotriazol-2-yl)-4-hydroxyphenyl]propanoate,CCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,CCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,"InChI=1/C27H36ClN3O3/c1-5-6-7-8-9-10-15-34-25(32)14-11-19-16-21(27(2,3)4)26(33)24(17-19)31-29-22-13-12-20(28)18-23(22)30-31/h12-13,16-18,33H,5-11,14-15H2,1-4H3",C27H36ClN3O3,,,,,,DMFXLIFZVRXRRR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.725,282-224-0,84145-01-7,"Sodium 2',4'-difluoro[1,1'-biphenyl]-4-olate","sodium 2',4'-difluorobiphenyl-4-olate",[Na+].[O-]c1ccc(cc1)c2ccc(F)cc2F,[Na+].[O-]c1ccc(cc1)c2ccc(F)cc2F,"InChI=1/C12H8F2O.Na/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8;/h1-7,15H;/q;+1/p-1",C12H8F2O.Na,,,,,,FZDUJHDGTNTZIZ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.738,282-238-7,84145-14-2,"2-[[[(dodecylthio)acetyl]oxy]methyl]-2-ethyl-1,3-propanediyl bis[(dodecylthio)acetate]","2,2-bis{[2-(dodecylsulfanyl)acetoxy]methyl}butyl (dodecylsulfanyl)acetate (non-preferred name)",CCCCCCCCCCCCSCC(=O)OCC(CC)(COC(=O)CSCCCCCCCCCCCC)COC(=O)CSCCCCCCCCCCCC,CCCCCCCCCCCCSCC(=O)OCC(CC)(COC(=O)CSCCCCCCCCCCCC)COC(=O)CSCCCCCCCCCCCC,"InChI=1/C48H92O6S3/c1-5-9-12-15-18-21-24-27-30-33-36-55-39-45(49)52-42-48(8-4,43-53-46(50)40-56-37-34-31-28-25-22-19-16-13-10-6-2)44-54-47(51)41-57-38-35-32-29-26-23-20-17-14-11-7-3/h5-44H2,1-4H3",C48H92O6S3,,,,,,IWTDFMOKKXHPON-UHFFFAOYSA-N,,,,,,,,,,,
100.074.743,282-243-4,84145-19-7,"Vinyl 3-chloro-2,2,3,3-tetrafluoropropionate","vinyl 3-chloro-2,2,3,3-tetrafluoropropanoate",FC(F)(Cl)C(F)(F)C(=O)OC=C,FC(F)(Cl)C(F)(F)C(=O)OC=C,"InChI=1/C5H3ClF4O2/c1-2-12-3(11)4(7,8)5(6,9)10/h2H,1H2",C5H3ClF4O2,,,,,,HLZZKBZAPCCVIE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.748,282-249-7,84145-24-4,Methyl 4-cyano-3-methyl-4-(phenylamino)piperidine-1-carboxylate,methyl 4-anilino-4-cyano-3-methylpiperidine-1-carboxylate,COC(=O)N1CCC(Nc2ccccc2)(C#N)C(C)C1,COC(=O)N1CCC(Nc2ccccc2)(C#N)C(C)C1,"InChI=1/C15H19N3O2/c1-12-10-18(14(19)20-2)9-8-15(12,11-16)17-13-6-4-3-5-7-13/h3-7,12,17H,8-10H2,1-2H3",C15H19N3O2,,,,,,AOEIBPYCEZZLSX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.592,278-774-6,77822-80-1,Ethyl 3-[[4-chloro-2-(2-fluorobenzoyl)phenyl]amino]-3-oxo-alaninate monohydrobromide,4-chloro-1-[(O-ethyl-3-oxoseryl)amino]-2-(2-fluorobenzoyl)benzene hydrobromide,Br.CCOC(=O)C(N)C(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2F,Br.CCOC(=O)C(N)C(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2F,"InChI=1/C18H16ClFN2O4.BrH/c1-2-26-18(25)15(21)17(24)22-14-8-7-10(19)9-12(14)16(23)11-5-3-4-6-13(11)20;/h3-9,15H,2,21H2,1H3,(H,22,24);1H",C18H16ClFN2O4.BrH,,,,,,RCYVAMQWTAQUAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.597,278-779-3,77862-96-5,"1H-1,2,3-triazolo[4,5-e][1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-one, monosodium salt",-,[Na+].O=C1Nc2ncnn2c3[nH]nnc13,[Na+].O=C1Nc2ncnn2c3[nH]nnc13,"InChI=1/C5H3N7O.Na/c13-4-2-3(10-11-9-2)12-5(8-4)6-1-7-12;/h1H,(H,9,10,11)(H,6,7,8,13);/q;+1",C5H3N7O.Na,,,,,,QPNMVFDOGLCAHO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.600,278-783-5,77887-88-8,"1,4,7,10-tetraoxacyclotridecan-12-ol","1,4,7,10-tetraoxacyclotridecan-12-ol",OC1COCCOCCOCCOC1,OC1COCCOCCOCCOC1,"InChI=1/C9H18O5/c10-9-7-13-5-3-11-1-2-12-4-6-14-8-9/h9-10H,1-8H2",C9H18O5,,,,,,SYSOZAATGIIPOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.608,278-791-9,77916-77-9,Bis(1-butylpentyl) adipate,bis(1-butylpentyl) adipate,CCCCC(CCCC)OC(=O)CCCCC(=O)OC(CCCC)CCCC,CCCCC(CCCC)OC(=O)CCCCC(=O)OC(CCCC)CCCC,"InChI=1/C24H46O4/c1-5-9-15-21(16-10-6-2)27-23(25)19-13-14-20-24(26)28-22(17-11-7-3)18-12-8-4/h21-22H,5-20H2,1-4H3",C24H46O4,,,,,,VXQKWLPFTKRXCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.609,278-792-4,77923-28-5,(2-methoxyethoxy)cyclododecane,(2-methoxyethoxy)cyclododecane,COCCOC1CCCCCCCCCCC1,COCCOC1CCCCCCCCCCC1,"InChI=1/C15H30O2/c1-16-13-14-17-15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,2-14H2,1H3",C15H30O2,,,,,,ZVBSFYUMDOTFAC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.060,252-881-8,36122-35-7,"3-phenylfuran-2,5-dione","3-phenylfuran-2,5-dione",O=C1OC(=O)C(=C1)c2ccccc2,O=C1OC(=O)C(=C1)c2ccccc2,InChI=1/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H,C10H6O3,,,,,,QZYCWJVSPFQUQC-UHFFFAOYSA-N,,,,,,,,,,,
100.048.069,252-891-2,36149-00-5,"(3ß,5E,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol","9,10-secocholesta-5,7,10-triene-3,25-diol",O[C@@H]3C/C(=C\\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)(C)O)C(=C)CC3,O[C@@H]3C/C(=C\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)(C)O)C(=C)CC3,"InChI=1/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3",C27H44O2,,,,,,JWUBBDSIWDLEOM-PPFLGCPHSA-N,,,,,,,,,,,
100.048.070,252-892-8,36151-02-7,"4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one","4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one",CC(O)CCC1C(=CC(=O)CC1(C)C)C,CC(O)CCC1C(=CC(=O)CC1(C)C)C,"InChI=1/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3",C13H22O2,,,,,,UEEJDIUOCUCVHN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.072,252-894-9,36166-75-3,"1,2,3,6-tetrahydro-1-methylpyridine-4-methanol","(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanol",CN1CCC(=CC1)CO,CN1CCC(=CC1)CO,"InChI=1/C7H13NO/c1-8-4-2-7(6-9)3-5-8/h2,9H,3-6H2,1H3",C7H13NO,,,,,,XCZCVUOQSMDKQW-UHFFFAOYSA-N,,,,,,,,,,,
100.048.074,252-897-5,36173-66-7,Exo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl diphenylglycolate hydrochloride,8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate hydrochloride,Cl.CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)C(O)(c3ccccc3)c4ccccc4,Cl.CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)C(O)(c3ccccc3)c4ccccc4,"InChI=1/C22H25NO3.ClH/c1-23-18-12-13-19(23)15-20(14-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-20,25H,12-15H2,1H3;1H",C22H25NO3.ClH,,,,,,KBGDDPWSFYFMKX-XLMMQIPYSA-N,,,,,,,,,,,
100.048.076,252-899-6,36177-92-1,"N-butyl-2,2,6,6-tetramethylpiperidin-4-amine","N-butyl-2,2,6,6-tetramethylpiperidin-4-amine",CCCCNC1CC(C)(C)NC(C)(C)C1,CCCCNC1CC(C)(C)NC(C)(C)C1,"InChI=1/C13H28N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h11,14-15H,6-10H2,1-5H3",C13H28N2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13780,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.076,FDAKZQLBIFPGSV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.078,252-902-0,36183-24-1,"(R,S)-(±)-2-amino-6-(1,2-dihydroxypropyl)-1H-pteridin-4-one","2-amino-6-(1,2-dihydroxypropyl)pteridin-4(1H)-one",CC(O)C(O)c1cnc2NC(=NC(=O)c2n1)N,CC(O)C(O)c1cnc2NC(=NC(=O)c2n1)N,"InChI=1/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)",C9H11N5O3,,,,,,LHQIJBMDNUYRAM-UHFFFAOYSA-N,,,,,,,,,,,
100.048.085,252-909-9,36203-31-3,"(1R)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate","(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate",CC(=O)OCC1=CCC2CC1C2(C)C,CC(=O)OCC1=CCC2CC1C2(C)C,"InChI=1/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3",C12H18O2,,,,,,BKATZVAUANSCKN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.086,252-910-4,36207-25-7,"ß,4-diethylphenethyl alcohol",2-(4-ethylphenyl)butan-1-ol,CCC(CO)c1ccc(CC)cc1,CCC(CO)c1ccc(CC)cc1,"InChI=1/C12H18O/c1-3-10-5-7-12(8-6-10)11(4-2)9-13/h5-8,11,13H,3-4,9H2,1-2H3",C12H18O,,,,,,ALCFKGDNZCFGLU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.087,252-912-5,36208-32-9,"4-(2,2,6-trimethylcyclohexyl)-3-buten-2-one","4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one",CC1(C)CCCC(C)C1C=CC(C)=O,CC1(C)CCCC(C)C1C=CC(C)=O,"InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,10,12H,5-6,9H2,1-4H3",C13H22O,,,,,,YJRODKCOICMRBO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.090,252-915-1,36208-35-2,"(1a,2ß,4ß)-4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde",4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,CC(C)[C@]12CC[C@@](C)(C=C1)[C@H](C2)C=O,CC(C)[C@]12CC[C@@](C)(C=C1)[C@H](C2)C=O,"InChI=1/C13H20O/c1-10(2)13-6-4-12(3,5-7-13)11(8-13)9-14/h4,6,9-11H,5,7-8H2,1-3H3",C13H20O,,,,,,LXYNULJSTVMWAJ-UPJWGTAASA-N,,,,,,,,,,,
100.049.269,254-215-1,38952-51-1,Barium bis[3-(octadecylthio)propionate],barium bis[3-(octadecylsulfanyl)propanoate],[Ba+2].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-],"InChI=1/2C21H42O2S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-21(22)23;/h2*2-20H2,1H3,(H,22,23);/q;;+2/p-2",C21H42O2S.1/2Ba,,,,,,IBXOVGVKIOWOEQ-UHFFFAOYSA-L,,,,,,,,,,,
100.049.279,254-226-1,38969-65-2,"(±)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]-2-methylisoquinoline","1-(4-methoxybenzyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline",COc1ccc(CC2N(C)CCC3=C2CCCC3)cc1,COc1ccc(CC2N(C)CCC3=C2CCCC3)cc1,"InChI=1/C18H25NO/c1-19-12-11-15-5-3-4-6-17(15)18(19)13-14-7-9-16(20-2)10-8-14/h7-10,18H,3-6,11-13H2,1-2H3",C18H25NO,,,,,,CRXXSGLBECOUQH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.282,254-229-8,38974-68-4,N-(4-iodobenzoyl)-L-glutamic acid,N-(4-iodobenzoyl)-L-glutamic acid,OC(=O)CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)O,OC(=O)CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)O,"InChI=1/C12H12INO5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)",C12H12INO5,,,,,,PQOYLAVKDNWUOQ-VIFPVBQESA-N,,,,,,,,,,,
100.071.615,278-799-2,77946-99-7,1-(cyclohexylamino)-4-[(4-ethoxyphenyl)amino]anthraquinone,"1-(cyclohexylamino)-4-[(4-ethoxyphenyl)amino]-9,10-anthraquinone",CCOc1ccc(Nc2ccc(NC3CCCCC3)c4C(=O)c5ccccc5C(=O)c24)cc1,CCOc1ccc(Nc2ccc(NC3CCCCC3)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C28H28N2O3/c1-2-33-20-14-12-19(13-15-20)30-24-17-16-23(29-18-8-4-3-5-9-18)25-26(24)28(32)22-11-7-6-10-21(22)27(25)31/h6-7,10-18,29-30H,2-5,8-9H2,1H3",C28H28N2O3,,,,,,PRZSLFLPSHUQRF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.616,278-800-6,77956-39-9,3-(methylamino)-1-benzoxepin-5(2H)-one,3-(methylamino)-1-benzoxepin-5(2H)-one,CNC1=CC(=O)c2ccccc2OC1,CNC1=CC(=O)c2ccccc2OC1,"InChI=1/C11H11NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-6,12H,7H2,1H3",C11H11NO2,,,,,,FQJYQXONIGBDNO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.624,285-416-2,85098-65-3,Sodium [(methoxythioxomethyl)thio]acetate,sodium [(methoxycarbonothioyl)sulfanyl]acetate,[Na+].COC(=S)SCC(=O)[O-],[Na+].COC(=S)SCC(=O)[O-],"InChI=1/C4H6O3S2.Na/c1-7-4(8)9-2-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",C4H6O3S2.Na,,,,,,RYCBQLRXXUHRJU-UHFFFAOYSA-M,,,,,,,,,,,
100.071.375,278-535-6,76734-38-8,Isobutyl [3-(acetyloxy)-3-cyanopropyl]methylphosphinate,1-cyano-3-[isobutoxy(methyl)phosphoryl]propyl acetate,CC(C)COP(=O)(C)CCC(OC(=O)C)C#N,CC(C)COP(=O)(C)CCC(OC(=O)C)C#N,"InChI=1/C11H20NO4P/c1-9(2)8-15-17(4,14)6-5-11(7-12)16-10(3)13/h9,11H,5-6,8H2,1-4H3",C11H20NO4P,,,,,,ZVLFTEXTYRDTHR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.377,278-537-7,76738-96-0,"(11ß,17a)-11,17-dihydroxy-17-(1-oxopropyl)androst-4-en-3-one 17-butyrate","11-hydroxy-10,13-dimethyl-3-oxo-17-propionyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate (non-preferred name)",CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CC,CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CC,"InChI=1/C26H38O5/c1-5-7-22(30)31-26(21(29)6-2)13-11-19-18-9-8-16-14-17(27)10-12-24(16,3)23(18)20(28)15-25(19,26)4/h14,18-20,23,28H,5-13,15H2,1-4H3",C26H38O5,,,,,,NYLJGSLNIOEAHY-FZNHGJLXSA-N,,,,,,,,,,,
100.071.622,278-806-9,77984-95-3,N-(2-chloro-6-methylphenyl)pyrrolidine-1-acetamide monohydrochloride,N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide hydrochloride,Cl.Cc1cccc(Cl)c1NC(=O)CN2CCCC2,Cl.Cc1cccc(Cl)c1NC(=O)CN2CCCC2,"InChI=1/C13H17ClN2O.ClH/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16;/h4-6H,2-3,7-9H2,1H3,(H,15,17);1H",C13H17ClN2O.ClH,,,,,,DCGGIPJFBRUGLE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.623,278-807-4,77992-29-1,"4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine monohydrochloride","1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine hydrochloride",Cl.NC1=NN(CC1)c2cccc(c2)C(F)(F)F,Cl.NC1=NN(CC1)c2cccc(c2)C(F)(F)F,"InChI=1/C10H10F3N3.ClH/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16;/h1-3,6H,4-5H2,(H2,14,15);1H",C10H10F3N3.ClH,,,,,,ZHIVNGPRIADXRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.252,280-600-9,83732-52-9,"a-[[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzyl alcohol monohydrochloride","2-(4,5-dihydro-1H-imidazol-2-ylamino)-1-phenylethanol hydrochloride",Cl.OC(CNC1=NCCN1)c2ccccc2,Cl.OC(CNC1=NCCN1)c2ccccc2,"InChI=1/C11H15N3O.ClH/c15-10(9-4-2-1-3-5-9)8-14-11-12-6-7-13-11;/h1-5,10,15H,6-8H2,(H2,12,13,14);1H",C11H15N3O.ClH,,,,,,ZMBGCLMWVTXAGI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.253,280-601-4,83732-53-0,"N-piperidin-4-ylbenzene-1,2-diamine","N-piperidin-4-ylbenzene-1,2-diamine",Nc1ccccc1NC2CCNCC2,Nc1ccccc1NC2CCNCC2,"InChI=1/C11H17N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13-14H,5-8,12H2",C11H17N3,,,,,,FRPNIZFUGKDSSS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.254,280-603-5,83732-54-1,Methyl N-(ethoxycarbonyl)-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-[(ethoxycarbonyl)imino]dipropanoate (non-preferred name)",CCOC(=O)N(CCC(=O)OC)CCC(=O)OC,CCOC(=O)N(CCC(=O)OC)CCC(=O)OC,"InChI=1/C11H19NO6/c1-4-18-11(15)12(7-5-9(13)16-2)8-6-10(14)17-3/h4-8H2,1-3H3",C11H19NO6,,,,,,ZSNSGXMWUBZXTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.265,280-615-0,83732-65-4,"5-chloro-2-(4-chlorophenoxy)-N,N-dimethylaniline","5-chloro-2-(4-chlorophenoxy)-N,N-dimethylaniline",CN(C)c1cc(Cl)ccc1Oc2ccc(Cl)cc2,CN(C)c1cc(Cl)ccc1Oc2ccc(Cl)cc2,"InChI=1/C14H13Cl2NO/c1-17(2)13-9-11(16)5-8-14(13)18-12-6-3-10(15)4-7-12/h3-9H,1-2H3",C14H13Cl2NO,,,,,,MKTVSZPMNSBCOA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.268,280-618-7,83732-68-7,"2,3-dichloro-6-methoxypyridine","2,3-dichloro-6-methoxypyridine",COc1ccc(Cl)c(Cl)n1,COc1ccc(Cl)c(Cl)n1,"InChI=1/C6H5Cl2NO/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,1H3",C6H5Cl2NO,,,,,,PCVPVMZNHMYIDP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.269,280-619-2,83732-69-8,"2,3-dihydro-1H-inden-2-ol benzenesulphonate","2,3-dihydro-1H-inden-2-yl benzenesulfonate",O=S(=O)(OC1Cc2ccccc2C1)c3ccccc3,O=S(=O)(OC1Cc2ccccc2C1)c3ccccc3,"InChI=1/C15H14O3S/c16-19(17,15-8-2-1-3-9-15)18-14-10-12-6-4-5-7-13(12)11-14/h1-9,14H,10-11H2",C15H14O3S,,,,,,FDWHEOIFRUVCQG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.270,280-620-8,83732-70-1,Sodium 6-chloro-3-hydroxy-4-isopropyltoluene-2-sulphonate,sodium 3-chloro-6-hydroxy-5-isopropyl-2-methylbenzenesulfonate,[Na+].CC(C)c1cc(Cl)c(C)c(c1O)S(=O)(=O)[O-],[Na+].CC(C)c1cc(Cl)c(C)c(c1O)S(=O)(=O)[O-],"InChI=1/C10H13ClO4S.Na/c1-5(2)7-4-8(11)6(3)10(9(7)12)16(13,14)15;/h4-5,12H,1-3H3,(H,13,14,15);/q;+1/p-1",C10H13ClO4S.Na,,,,,,UKVDTSLNNAXSMV-UHFFFAOYSA-M,,,,,,,,,,,
100.070.165,277-204-3,73003-79-9,"Propyl 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]benzoate","propyl 3,4,5-tris{[(6-diazo-5-oxo-5,6-dihydronaphthalen-1-yl)sulfonyl]oxy}benzoate",CCCOC(=O)c1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c(OS(=O)(=O)c6cccc7C(=O)C(=[N+]=[N-])C=Cc67)c1,CCCOC(=O)c1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c(OS(=O)(=O)c6cccc7C(=O)C(=[N+]=[N-])C=Cc67)c1,"InChI=1/C40H24N6O14S3/c1-2-18-57-40(50)21-19-31(58-61(51,52)33-9-3-6-25-22(33)12-15-28(44-41)36(25)47)39(60-63(55,56)35-11-5-8-27-24(35)14-17-30(46-43)38(27)49)32(20-21)59-62(53,54)34-10-4-7-26-23(34)13-16-29(45-42)37(26)48/h3-17,19-20H,2,18H2,1H3",C40H24N6O14S3,,,,,,SOCWTMTXXZJZPW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.166,277-205-9,73003-80-2,"2,2-dibromomalonamide","2,2-dibromomalonamide",NC(=O)C(Br)(Br)C(=O)N,NC(=O)C(Br)(Br)C(=O)N,"InChI=1/C3H4Br2N2O2/c4-3(5,1(6)8)2(7)9/h(H2,6,8)(H2,7,9)",C3H4Br2N2O2,,,,,,SWHQVMGRXIYDSF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.880,277-991-3,74764-66-2,a-oxopyridine-4-acetonitrile,oxo(pyridin-4-yl)acetonitrile,O=C(C#N)c1ccncc1,O=C(C#N)c1ccncc1,InChI=1/C7H4N2O/c8-5-7(10)6-1-3-9-4-2-6/h1-4H,C7H4N2O,,,,,,GZKKBMGXUJZHSS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.886,277-998-1,74800-44-5,"4-(5-hexyl-1,3-dioxan-2-yl)benzonitrile","4-(5-hexyl-1,3-dioxan-2-yl)benzonitrile",CCCCCCC1COC(OC1)c2ccc(cc2)C#N,CCCCCCC1COC(OC1)c2ccc(cc2)C#N,"InChI=1/C17H23NO2/c1-2-3-4-5-6-15-12-19-17(20-13-15)16-9-7-14(11-18)8-10-16/h7-10,15,17H,2-6,12-13H2,1H3",C17H23NO2,,,,,,OGCKMDSDEJZJIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.891,278-003-3,74819-76-4,"2-[[(2,3-dichlorophenyl)methyl]amino]ethanol hydrochloride","2-[(2,3-dichlorobenzyl)amino]ethanol hydrochloride",Cl.OCCNCc1cccc(Cl)c1Cl,Cl.OCCNCc1cccc(Cl)c1Cl,"InChI=1/C9H11Cl2NO.ClH/c10-8-3-1-2-7(9(8)11)6-12-4-5-13;/h1-3,12-13H,4-6H2;1H",C9H11Cl2NO.ClH,,,,,,SUKDCMQPGWYAEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.893,278-005-4,74839-55-7,8-[(2-chloro-4-nitrophenyl)azo]-5-[(3-methoxypropyl)amino]-1-naphthol,8-[(2-chloro-4-nitrophenyl)diazenyl]-5-[(3-methoxypropyl)amino]-1-naphthol,Clc3cc(ccc3N=Nc2ccc(NCCCOC)c1cccc(O)c12)[N+]([O-])=O,Clc3cc(ccc3N=Nc2ccc(NCCCOC)c1cccc(O)c12)[N+]([O-])=O,"InChI=1/C20H19ClN4O4/c1-29-11-3-10-22-16-8-9-18(20-14(16)4-2-5-19(20)26)24-23-17-7-6-13(25(27)28)12-15(17)21/h2,4-9,12,22,26H,3,10-11H2,1H3",C20H19ClN4O4,,,,,,VUZLFEYRTSXBGC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.894,278-007-5,74841-38-6,"3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",O=C3C(=Cc1ccc2OCOc2c1)C4CCC3(C)C4(C)C,O=C3C(=Cc1ccc2OCOc2c1)C4CCC3(C)C4(C)C,"InChI=1/C18H20O3/c1-17(2)13-6-7-18(17,3)16(19)12(13)8-11-4-5-14-15(9-11)21-10-20-14/h4-5,8-9,13H,6-7,10H2,1-3H3",C18H20O3,,,,,,OMKMCEVABFYVSE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.901,278-014-3,74878-48-1,"2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-5-(methylsulphonyl)1H-benzimidazolium acetate","2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-(methylsulfonyl)-2,3-dihydro-1H-3,1-benzimidazol-1-ium acetate",COc1ccc2cc(oc2c1)C3N(C)c4cc(ccc4[NH+]3C)S(=O)(=O)C.CC(=O)[O-],COc1ccc2cc(oc2c1)C3N(C)c4cc(ccc4[NH+]3C)S(=O)(=O)C.CC(=O)[O-],"InChI=1/C19H20N2O4S.C2H4O2/c1-20-15-8-7-14(26(4,22)23)11-16(15)21(2)19(20)18-9-12-5-6-13(24-3)10-17(12)25-18;1-2(3)4/h5-11,19H,1-4H3;1H3,(H,3,4)",C19H19N2O4S.C2H3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18257,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.901,LFEGBBYAYJXRBY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.918,278-033-7,74935-12-9,"(o-tolylamino)(2,3,6-trichlorophenyl)acetic acid","[(2-methylphenyl)amino](2,3,6-trichlorophenyl)acetic acid",Cc1ccccc1NC(C(=O)O)c2c(Cl)ccc(Cl)c2Cl,Cc1ccccc1NC(C(=O)O)c2c(Cl)ccc(Cl)c2Cl,"InChI=1/C15H12Cl3NO2/c1-8-4-2-3-5-11(8)19-14(15(20)21)12-9(16)6-7-10(17)13(12)18/h2-7,14,19H,1H3,(H,20,21)",C15H12Cl3NO2,,,,,,YBWPTKAUJONDQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.919,278-034-2,74936-72-4,"Methyl hydrogen 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid",COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)O)C,COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)O)C,"InChI=1/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)",C16H16N2O6,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16483,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.919,JPXPPUOCSLMCHK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.925,278-041-0,74962-98-4,(Z)-tridec-2-en-1-ol,tridec-2-en-1-ol,CCCCCCCCCC\\C=C/CO,CCCCCCCCCC\C=C/CO,"InChI=1/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-10,13H2,1H3",C13H26O,,,,,,VPYJHNADOJDSGU-QXMHVHEDSA-N,,,,,,,,,,,
100.070.929,278-045-2,74981-31-0,"2,2,3-trimethyl-a-propylcyclopent-3-enebutyraldehyde","2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentanal",CCCC(CCC1CC=C(C)C1(C)C)C=O,CCCC(CCC1CC=C(C)C1(C)C)C=O,"InChI=1/C15H26O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7,11,13-14H,5-6,8-10H2,1-4H3",C15H26O,,,,,,RYOMWOMFXGBTGU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.933,278-049-4,75003-73-5,"Methyl N,N-dibutyl-ß-alaninate hydrochloride","methyl N,N-dibutyl-beta-alaninate hydrochloride",Cl.CCCCN(CCCC)CCC(=O)OC,Cl.CCCCN(CCCC)CCC(=O)OC,"InChI=1/C12H25NO2.ClH/c1-4-6-9-13(10-7-5-2)11-8-12(14)15-3;/h4-11H2,1-3H3;1H",C12H25NO2.ClH,,,,,,YROUIASKEPJJRK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.938,278-055-7,75006-56-3,"13-dodecyl-1,4,7,10-tetraoxa-13-azacyclopentadecane","13-dodecyl-1,4,7,10-tetraoxa-13-azacyclopentadecane",CCCCCCCCCCCCN1CCOCCOCCOCCOCC1,CCCCCCCCCCCCN1CCOCCOCCOCCOCC1,"InChI=1/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-15-24-17-19-26-21-22-27-20-18-25-16-14-23/h2-22H2,1H3",C22H45NO4,,,,,,PTQYCIMKWDCVIP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.941,278-058-3,75032-87-0,3-methoxybutyl chloroformate,3-methoxybutyl chlorocarbonate,COC(C)CCOC(=O)Cl,COC(C)CCOC(=O)Cl,"InChI=1/C6H11ClO3/c1-5(9-2)3-4-10-6(7)8/h5H,3-4H2,1-2H3",C6H11ClO3,,,,,,NMDUDAGABXHCGU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.613,278-797-1,77936-23-3,"3,3'-[carbonylbis[imino(5-methoxy-2-methyl-p-phenylene)azo]]bis[N,N,N-trimethylanilinium] dichloride","3-[(2-methoxy-4-{[(5-methoxy-2-methyl-4-{[3-(trimethylammonio)phenyl]diazenyl}phenyl)carbamoyl]amino}-5-methylphenyl)diazenyl]-N,N,N-trimethylanilinium dichloride",[Cl-].[Cl-].COc4cc(NC(=O)Nc2cc(OC)c(N=Nc1cccc(c1)[N+](C)(C)C)cc2C)c(C)cc4N=Nc3cccc(c3)[N+](C)(C)C,[Cl-].[Cl-].COc4cc(NC(=O)Nc2cc(OC)c(N=Nc1cccc(c1)[N+](C)(C)C)cc2C)c(C)cc4N=Nc3cccc(c3)[N+](C)(C)C,"InChI=1/C35H43N8O3.2ClH/c1-23-17-31(40-38-25-13-11-15-27(19-25)42(3,4)5)33(45-9)21-29(23)36-35(44)37-30-22-34(46-10)32(18-24(30)2)41-39-26-14-12-16-28(20-26)43(6,7)8;;/h11-22H,1-10H3,(H-,36,37,38,39,44);2*1H/q+1;;/p-1",C35H44N8O3.2Cl,,,,,,WVFOCBZFSWTKAQ-UHFFFAOYSA-M,,,,,,,,,,,
100.077.618,285-409-4,85098-59-5,"Tetrasodium 8,8'-[cyclohexylidenebis(4,1-phenyleneazo)]bis[7-hydroxynaphthalene-1,3-disulphonate]","tetrasodium 8,8'-[cyclohexane-1,1-diylbis(4,1-phenylenediazene-2,1-diyl)]bis(7-hydroxynaphthalene-1,3-disulfonate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(cc7ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c5ccc(N=Nc3c4c(cc(cc4ccc3O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c67)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(cc7ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c5ccc(N=Nc3c4c(cc(cc4ccc3O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c67)S([O-])(=O)=O,"InChI=1/C38H32N4O14S4.4Na/c43-30-14-4-22-18-28(57(45,46)47)20-32(59(51,52)53)34(22)36(30)41-39-26-10-6-24(7-11-26)38(16-2-1-3-17-38)25-8-12-27(13-9-25)40-42-37-31(44)15-5-23-19-29(58(48,49)50)21-33(35(23)37)60(54,55)56;;;;/h4-15,18-21,43-44H,1-3,16-17H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C38H32N4O14S4.4Na,,,,,,RUGQEAFTXGKIHH-UHFFFAOYSA-J,,,,,,,,,,,
100.077.619,285-411-5,85098-60-8,"Hexapotassium 16,23-dihydronaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexyl hexasulphate","hexapotassium 4,6,13,14-tetrahydrodinaphtho[2,3-a:2',3'-i]naphtho[2',3':6,7]indolo[2,3-c]carbazole-5,7,12,14,19,24-hexayl hexasulfate",[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)OC1Cc2c(OS(=O)(=O)[O-])c3ccccc3c(OS(=O)(=O)[O-])c2C4=C1C5=C6C(=Nc7c6ccc8cc9cc(OS(=O)(=O)[O-])ccc9cc78)C%10=C(OS(=O)(=O)[O-])C%11=CC=CCC%11=C(OS(=O)(=O)[O-])C%10=C5N4,[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)OC1Cc2c(OS(=O)(=O)[O-])c3ccccc3c(OS(=O)(=O)[O-])c2C4=C1C5=C6C(=Nc7c6ccc8cc9cc(OS(=O)(=O)[O-])ccc9cc78)C%10=C(OS(=O)(=O)[O-])C%11=CC=CCC%11=C(OS(=O)(=O)[O-])C%10=C5N4,"InChI=1/C42H26N2O24S6.6K/c45-69(46,47)63-20-11-9-17-15-26-18(13-19(17)14-20)10-12-25-29-32-31-28(64-70(48,49)50)16-27-30(40(66-72(54,55)56)22-6-2-1-5-21(22)39(27)65-71(51,52)53)37(31)44-38(32)34-33(36(29)43-35(25)26)41(67-73(57,58)59)23-7-3-4-8-24(23)42(34)68-74(60,61)62;;;;;;/h1-7,9-15,28,44H,8,16H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6",C42H24N2O24S6.6K,,,,,,YXTMPLYNLJSZKN-UHFFFAOYSA-H,,,,,,,,,,,
100.073.250,280-597-4,83732-50-7,Methyl N-(1-phenylethyl)glycinate,methyl N-(1-phenylethyl)glycinate,COC(=O)CNC(C)c1ccccc1,COC(=O)CNC(C)c1ccccc1,"InChI=1/C11H15NO2/c1-9(12-8-11(13)14-2)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3",C11H15NO2,,,,,,DMDBHLORZIDHQB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.251,280-599-5,83732-51-8,"a-[[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzyl alcohol monohydrobromide","2-(4,5-dihydro-1H-imidazol-2-ylamino)-1-phenylethanol hydrobromide",Br.OC(CNC1=NCCN1)c2ccccc2,Br.OC(CNC1=NCCN1)c2ccccc2,"InChI=1/C11H15N3O.BrH/c15-10(9-4-2-1-3-5-9)8-14-11-12-6-7-13-11;/h1-5,10,15H,6-8H2,(H2,12,13,14);1H",C11H15N3O.BrH,,,,,,JSFKLIWEKBHDBB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.273,280-623-4,83732-73-4,1-methyl-5-oxopyrrolidine-2-acetohydrazide,2-(1-methyl-5-oxopyrrolidin-2-yl)acetohydrazide,CN1C(CC(=O)NN)CCC1=O,CN1C(CC(=O)NN)CCC1=O,"InChI=1/C7H13N3O2/c1-10-5(2-3-7(10)12)4-6(11)9-8/h5H,2-4,8H2,1H3,(H,9,11)",C7H13N3O2,,,,,,CGUACKQQJOZZGP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.276,280-627-6,83732-76-7,2-[(3-amino-6-methoxy-2-pyridyl)amino]ethanol dihydrochloride,2-[(3-amino-6-methoxypyridin-2-yl)amino]ethanol dihydrochloride,Cl.Cl.COc1ccc(N)c(NCCO)n1,Cl.Cl.COc1ccc(N)c(NCCO)n1,"InChI=1/C8H13N3O2.2ClH/c1-13-7-3-2-6(9)8(11-7)10-4-5-12;;/h2-3,12H,4-5,9H2,1H3,(H,10,11);2*1H",C8H13N3O2.2ClH,,,,,,YIPMUHVZAQNZOY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.278,280-629-7,83732-78-9,[2-(ethylphenylamino)ethyl][2-hydroxypropyl]dimethylammonium hydrogen sulphate,"N-{2-[ethyl(phenyl)amino]ethyl}-2-hydroxy-N,N-dimethylpropan-1-aminium hydrogen sulfate",CCN(CC[N+](C)(C)CC(C)O)c1ccccc1.[O-]S(=O)(=O)[O-],CCN(CC[N+](C)(C)CC(C)O)c1ccccc1.[O-]S(=O)(=O)[O-],"InChI=1/C15H27N2O.H2O4S/c1-5-16(15-9-7-6-8-10-15)11-12-17(3,4)13-14(2)18;1-5(2,3)4/h6-10,14,18H,5,11-13H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C15H27N2O.HO4S,,,,,,GSRKEWHSCQLSOV-UHFFFAOYSA-L,,,,,,,,,,,
100.073.286,280-638-6,83732-86-9,5-[(2-nitro-4-sulphophenyl)sulphonyl]salicylic acid,2-hydroxy-5-[(2-nitro-4-sulfophenyl)sulfonyl]benzoic acid,OC(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])S(=O)(=O)O,OC(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C13H9NO10S2/c15-11-3-1-7(5-9(11)13(16)17)25(20,21)12-4-2-8(26(22,23)24)6-10(12)14(18)19/h1-6,15H,(H,16,17)(H,22,23,24)",C13H9NO10S2,,,,,,MNXNPVSBUJFBLT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.287,254-235-0,38982-12-6,3-(9-anthryl)acrylaldehyde,3-(9-anthryl)acrylaldehyde,O=C\\C=C\\c1c2ccccc2cc3ccccc13,O=C\C=C\c1c2ccccc2cc3ccccc13,InChI=1/C17H12O/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H,C17H12O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18931,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.287,NLHDGEXLFCDTHQ-BJMVGYQFSA-N,,,,,,,,,,,
100.049.295,254-243-4,39002-49-8,"Bis[2-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulphamoylbenzoato(2-)]chromate(1-)","chromium(2+) bis(2-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-sulfamoylbenzoate)",CC1=NN(C(=O)C1N=Nc2ccc(cc2C(=O)O[Cr]OC(=O)c3cc(ccc3N=NC4C(=NN(C4=O)c5cccc(Cl)c5)C)S(=O)(=O)N)S(=O)(=O)N)c6cccc(Cl)c6,CC1=NN(C(=O)C1N=Nc2ccc(cc2C(=O)O[Cr]OC(=O)c3cc(ccc3N=NC4C(=NN(C4=O)c5cccc(Cl)c5)C)S(=O)(=O)N)S(=O)(=O)N)c6cccc(Cl)c6,"InChI=1/2C17H14ClN5O5S.Cr/c2*1-9-15(16(24)23(22-9)11-4-2-3-10(18)7-11)21-20-14-6-5-12(29(19,27)28)8-13(14)17(25)26;/h2*2-8,15H,1H3,(H,25,26)(H2,19,27,28);/q;;+2/p-2",C34H24Cl2CrN10O10S2,,,,,,YXOVKZXEJRAWMM-UHFFFAOYSA-L,,,,,,,,,,,
100.049.299,254-248-1,39012-86-7,"2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione, sodium salt",-,[Na+].CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,[Na+].CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,"InChI=1/C18H16O7.Na/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,11,22-23H,1-4H3;/q;+1",C18H16O7.xNa,,,,,,MKLQPOLHKMNWKN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.306,254-256-5,39036-71-0,2-butyl-1-methylnaphthalene,2-butyl-1-methylnaphthalene,CCCCc1ccc2ccccc2c1C,CCCCc1ccc2ccccc2c1C,"InChI=1/C15H18/c1-3-4-7-13-10-11-14-8-5-6-9-15(14)12(13)2/h5-6,8-11H,3-4,7H2,1-2H3",C15H18,,,,,,UZMCNIVKGBWRPS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.454,256-618-8,50539-45-2,"1-[4-(phenylamino)naphthyl]-1H-pyrrole-2,5-dione","1-(4-anilino-1-naphthyl)-1H-pyrrole-2,5-dione",O=C1C=CC(=O)N1c2ccc(Nc3ccccc3)c4ccccc24,O=C1C=CC(=O)N1c2ccc(Nc3ccccc3)c4ccccc24,"InChI=1/C20H14N2O2/c23-19-12-13-20(24)22(19)18-11-10-17(15-8-4-5-9-16(15)18)21-14-6-2-1-3-7-14/h1-13,21H",C20H14N2O2,,,,,,DUFUXAHBRPMOFG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.461,256-626-1,50563-55-8,"N-(2-methoxyethyl)-2,6-xylidine","N-(2-methoxyethyl)-2,6-dimethylaniline",COCCNc1c(C)cccc1C,COCCNc1c(C)cccc1C,"InChI=1/C11H17NO/c1-9-5-4-6-10(2)11(9)12-7-8-13-3/h4-6,12H,7-8H2,1-3H3",C11H17NO,,,,,,OTKGPBKVICJCOU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.462,256-627-7,50567-35-6,"[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonic acid","[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonic acid",CN(CS(=O)(=O)O)C1=C(C)N(C)N(C1=O)c2ccccc2,CN(CS(=O)(=O)O)C1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)",C13H17N3O4S,,,,,,LVWZTYCIRDMTEY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.469,256-635-0,50594-77-9,3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl acetate,3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl acetate,CC(=O)Oc1cccc(Oc2ccc(cc2Cl)C(F)(F)F)c1,CC(=O)Oc1cccc(Oc2ccc(cc2Cl)C(F)(F)F)c1,"InChI=1/C15H10ClF3O3/c1-9(20)21-11-3-2-4-12(8-11)22-14-6-5-10(7-13(14)16)15(17,18)19/h2-8H,1H3",C15H10ClF3O3,,,,,,KNFRYRRZMRETJX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.474,256-640-8,50598-29-3,N-benzylheptadecafluorooctane-1-sulphonamide,"N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCc1ccccc1,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCc1ccccc1,"InChI=1/C15H8F17NO2S/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)36(34,35)33-6-7-4-2-1-3-5-7/h1-5,33H,6H2",C15H8F17NO2S,,,,,,GRXIBAUTCQPULC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.477,256-643-4,50601-47-3,"2,2,2-trichloroethyl methacrylate","2,2,2-trichloroethyl methacrylate",CC(=C)C(=O)OCC(Cl)(Cl)Cl,CC(=C)C(=O)OCC(Cl)(Cl)Cl,"InChI=1/C6H7Cl3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3",C6H7Cl3O2,,,,,,IUGNCEABJSRDPG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.478,256-645-5,50603-25-3,"5-[[4-(3,4-dihydro-4-oxo-2-quinazolinyl)phenyl]azo]-2,6-dihydroxy-4-methylnicotinonitrile","2,6-dihydroxy-4-methyl-5-{[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]diazenyl}nicotinonitrile",Cc4c(C#N)c(O)nc(O)c4N=Nc1ccc(cc1)C=2NC(=O)c3ccccc3N=2,Cc4c(C#N)c(O)nc(O)c4N=Nc1ccc(cc1)C=2NC(=O)c3ccccc3N=2,"InChI=1/C21H14N6O3/c1-11-15(10-22)20(29)25-21(30)17(11)27-26-13-8-6-12(7-9-13)18-23-16-5-3-2-4-14(16)19(28)24-18/h2-9H,1H3,(H,23,24,28)(H2,25,29,30)",C21H14N6O3,,,,,,YPICLNDUWOLQPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.479,256-646-0,50606-58-1,1-benzyl-3-piperidone hydrochloride hydrate,1-benzylpiperidin-3-one hydrochloride hydrate,O.Cl.O=C1CCCN(Cc2ccccc2)C1,O.Cl.O=C1CCCN(Cc2ccccc2)C1,"InChI=1/C12H15NO.ClH.H2O/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;;/h1-3,5-6H,4,7-10H2;1H;1H2",C12H15NO.ClH,,,,,,XDAGZUGDGORLMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.481,256-648-1,50606-96-7,4-heptylbenzoyl chloride,4-heptylbenzoyl chloride,CCCCCCCc1ccc(cc1)C(=O)Cl,CCCCCCCc1ccc(cc1)C(=O)Cl,"InChI=1/C14H19ClO/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3",C14H19ClO,,,,,,WHTFLTOKFXTJGV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.485,256-652-3,50610-28-1,2-[(4-amino-2-chloro-5-nitrophenyl)amino]ethanol,2-[(4-amino-2-chloro-5-nitrophenyl)amino]ethanol,Nc1cc(Cl)c(NCCO)cc1[N+](=O)[O-],Nc1cc(Cl)c(NCCO)cc1[N+](=O)[O-],"InChI=1/C8H10ClN3O3/c9-5-3-6(10)8(12(14)15)4-7(5)11-1-2-13/h3-4,11,13H,1-2,10H2",C8H10ClN3O3,,,,,,QNJWQAYYVNKOKR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.272,280-622-9,83732-72-3,"6-methoxy-N2-methylpyridine-2,3-diamine dihydrochloride","6-methoxy-N~2~-methylpyridine-2,3-diamine dihydrochloride",Cl.Cl.CNc1nc(OC)ccc1N,Cl.Cl.CNc1nc(OC)ccc1N,"InChI=1/C7H11N3O.2ClH/c1-9-7-5(8)3-4-6(10-7)11-2;;/h3-4H,8H2,1-2H3,(H,9,10);2*1H",C7H11N3O.2ClH,,,,,,GYLCRBBRGGGHBS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.279,280-630-2,83732-79-0,Bis[(2-hydroxyethyl)(2-hydroxyphenyl)ammonium] sulphate,bis[2-hydroxy-N-(2-hydroxyethyl)anilinium] sulfate,OCC[NH2+]c1ccccc1O.OCC[NH2+]c2ccccc2O.[O-]S(=O)(=O)[O-],OCC[NH2+]c1ccccc1O.OCC[NH2+]c2ccccc2O.[O-]S(=O)(=O)[O-],"InChI=1/2C8H11NO2.H2O4S/c2*10-6-5-9-7-3-1-2-4-8(7)11;1-5(2,3)4/h2*1-4,9-11H,5-6H2;(H2,1,2,3,4)",C8H11NO2.1/2H2O4S,,,,,,WTJRSQCNFRTNJY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.570,282-053-1,84083-05-6,"Trisodium 4-(acetylamino)-5-hydroxy-6-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1,7-disulphonate","trisodium 4-acetamido-5-hydroxy-6-[(4-methoxy-3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-1,7-disulfonate",[Na+].[Na+].[Na+].COc1ccc(cc1S(=O)(=O)CCOS([O-])(=O)=O)N=Nc3c(cc2c(ccc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc1ccc(cc1S(=O)(=O)CCOS([O-])(=O)=O)N=Nc3c(cc2c(ccc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C21H21N3O15S4.3Na/c1-11(25)22-14-4-6-16(41(29,30)31)13-10-18(42(32,33)34)20(21(26)19(13)14)24-23-12-3-5-15(38-2)17(9-12)40(27,28)8-7-39-43(35,36)37;;;/h3-6,9-10,26H,7-8H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3",C21H21N3O15S4.3Na,,,,,,VVKKUIVPYNYDPU-UHFFFAOYSA-K,,,,,,,,,,,
100.074.578,282-062-0,84083-13-6,5-chloro-4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzenediazonium tetrafluoroborate,5-chloro-4-[cyclohexyl(methyl)amino]-2-(trifluoromethyl)benzenediazonium tetrafluoroborate,CN(C1CCCCC1)c2cc(c(cc2Cl)[N+]#N)C(F)(F)F.F[B-](F)(F)F,CN(C1CCCCC1)c2cc(c(cc2Cl)[N+]#N)C(F)(F)F.F[B-](F)(F)F,"InChI=1/C14H16ClF3N3.BF4/c1-21(9-5-3-2-4-6-9)13-7-10(14(16,17)18)12(20-19)8-11(13)15;2-1(3,4)5/h7-9H,2-6H2,1H3;/q+1;-1",C14H16ClF3N3.BF4,,,,,,QSHAYFAXQWSTJU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.582,282-066-2,84083-17-0,3-[4-(diethylamino)phenyl]-3-(p-tolyl)phthalide,3-[4-(diethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1(3H)-one,CCN(CC)c1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(C)cc4,CCN(CC)c1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(C)cc4,"InChI=1/C25H25NO2/c1-4-26(5-2)21-16-14-20(15-17-21)25(19-12-10-18(3)11-13-19)23-9-7-6-8-22(23)24(27)28-25/h6-17H,4-5H2,1-3H3",C25H25NO2,,,,,,ITVGBYWULHOXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.584,282-068-3,84083-19-2,N-butyl-5-ethyl-8-hydroxynaphthalene-1-sulphonamide,N-butyl-5-ethyl-8-hydroxynaphthalene-1-sulfonamide,CCCCNS(=O)(=O)c1cccc2c(CC)ccc(O)c12,CCCCNS(=O)(=O)c1cccc2c(CC)ccc(O)c12,"InChI=1/C16H21NO3S/c1-3-5-11-17-21(19,20)15-8-6-7-13-12(4-2)9-10-14(18)16(13)15/h6-10,17-18H,3-5,11H2,1-2H3",C16H21NO3S,,,,,,JXYVAHQNXHGAHN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.588,282-073-0,84083-23-8,"L-asparagine, compound with L-seryl dihydrogen phosphate (2:1)",L-asparagine - 2-amino-3-hydroxypropanoyl dihydrogen phosphate (2:1),N[C@@H](CC(=O)N)C(=O)O.N[C@@H](CC(=O)N)C(=O)O.N[C@@H](CO)C(=O)OP(=O)(O)O,N[C@@H](CC(=O)N)C(=O)O.N[C@@H](CC(=O)N)C(=O)O.N[C@@H](CO)C(=O)OP(=O)(O)O,"InChI=1/2C4H8N2O3.C3H8NO6P/c2*5-2(4(8)9)1-3(6)7;4-2(1-5)3(6)10-11(7,8)9/h2*2H,1,5H2,(H2,6,7)(H,8,9);2,5H,1,4H2,(H2,7,8,9)",C4H8N2O3.1/2C3H8NO6P,,,,,,VFPWBRXRQYQGTG-NYIJDJKZSA-N,,,,,,,,,,,
100.074.591,282-076-7,84083-28-3,"Sodium 4-chloro-3-[4-[[2-(2,4-dichlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-chloro-3-(4-{[2-(2,4-dichlorophenoxy)phenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].Clc4ccc(Oc3ccccc3N=NC2C(\\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O)c(Cl)c4,[Na+].Clc4ccc(Oc3ccccc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O)c(Cl)c4,"InChI=1/C22H15Cl3N4O5S.Na/c1-12-21(22(30)29(28-12)18-11-14(35(31,32)33)7-8-15(18)24)27-26-17-4-2-3-5-20(17)34-19-9-6-13(23)10-16(19)25;/h2-11,21H,1H3,(H,31,32,33);/q;+1/p-1",C22H15Cl3N4O5S.Na,,,,,,ZXAWZDMHFAYWRO-UHFFFAOYSA-M,,,,,,,,,,,
100.071.391,278-552-9,76798-27-1,"Methyl a,<U+03B3>,e-trioxobenzenehexanoate","methyl 2,4,6-trioxo-6-phenylhexanoate",COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1,COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1,"InChI=1/C13H12O5/c1-18-13(17)12(16)8-10(14)7-11(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",C13H12O5,,,,,,UHBQYIPCSNKCFU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.394,278-556-0,76823-79-5,2-[2-[4-[(4-chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butyrate dihydrochloride,2-(2-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}ethoxy)ethyl 2-(3-benzoylphenyl)butanoate dihydrochloride,Cl.Cl.O=C(c1ccccc1)c2cc(ccc2)C(CC)C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4,Cl.Cl.O=C(c1ccccc1)c2cc(ccc2)C(CC)C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4,"InChI=1/C38H41ClN2O4.2ClH/c1-2-35(31-12-8-13-32(27-31)37(42)30-9-4-3-5-10-30)38(43)45-26-25-44-24-23-40-19-21-41(22-20-40)28-33-11-6-7-14-36(33)29-15-17-34(39)18-16-29;;/h3-18,27,35H,2,19-26,28H2,1H3;2*1H",C37H39ClN2O4.2ClH,,,,,,XPWHBEMKUFIMEV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.397,278-559-7,76835-05-7,1-(2-chlorophenyl)piperazine dihydrochloride,1-(2-chlorophenyl)piperazine dihydrochloride,Cl.Cl.Clc1ccccc1N2CCNCC2,Cl.Cl.Clc1ccccc1N2CCNCC2,"InChI=1/C10H13ClN2.2ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2;2*1H",C10H13ClN2.2ClH,,,,,,UBXIECYGXFARTC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.948,278-066-7,75069-22-6,Tris(2-hydroxyethyl)ammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium [5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate",OCC[NH+](CCO)CCO.[O-]C(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,OCC[NH+](CCO)CCO.[O-]C(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,"InChI=1/C14H12N2O3S3.C6H15NO3/c1-2-15-8-5-3-4-6-9(8)21-13(15)11-12(19)16(7-10(17)18)14(20)22-11;8-4-1-7(2-5-9)3-6-10/h3-6H,2,7H2,1H3,(H,17,18);8-10H,1-6H2",C14H12N2O3S3.C6H15NO3,,,,,,SBQFVYQVMFWNBI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.949,278-067-2,75074-70-3,Ammonium bis(hydroxyethyl)dithiocarbamate,ammonium bis(1-hydroxyethyl)dithiocarbamate,[NH4+].CC(O)N(C(C)O)C(=S)[S-],[NH4+].CC(O)N(C(C)O)C(=S)[S-],"InChI=1/C5H11NO2S2.H3N/c1-3(7)6(4(2)8)5(9)10;/h3-4,7-8H,1-2H3,(H,9,10);1H3",C5H11NO2S2.H3N,,,,,,NFTGGUGUXBFKAI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.950,278-068-8,75107-56-1,"N6-carboxy-L-lysine, compound with L-lysine (1:1)",N~6~-carboxy-L-lysine - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.N[C@@H](CCCCNC(=O)O)C(=O)O,NCCCC[C@H](N)C(=O)O.N[C@@H](CCCCNC(=O)O)C(=O)O,"InChI=1/C7H14N2O4.C6H14N2O2/c8-5(6(10)11)3-1-2-4-9-7(12)13;7-4-2-1-3-5(8)6(9)10/h5,9H,1-4,8H2,(H,10,11)(H,12,13);5H,1-4,7-8H2,(H,9,10)",C7H14N2O4.C6H14N2O2,,,,,,RLCOYKKYOGTXPA-ZLELNMGESA-N,,,,,,,,,,,
100.070.954,278-073-5,75122-96-2,"3,4-dichlorophenyl-2-lactic acid","2-(3,4-dichlorophenyl)-2-hydroxypropanoic acid",CC(O)(C(=O)O)c1ccc(Cl)c(Cl)c1,CC(O)(C(=O)O)c1ccc(Cl)c(Cl)c1,"InChI=1/C9H8Cl2O3/c1-9(14,8(12)13)5-2-3-6(10)7(11)4-5/h2-4,14H,1H3,(H,12,13)",C9H8Cl2O3,,,,,,SITLKJHBGQMYGI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.779,280-080-3,82978-68-5,1-[2-[[1-(ethoxycarbonyl)butyl]amino]propionyl]octahydro-1H-indole-2-carboxylic acid,1-(2-{[1-(ethoxycarbonyl)butyl]amino}propanoyl)octahydro-1H-indole-2-carboxylic acid (non-preferred name),CCCC(NC(C)C(=O)N1C2CCCCC2CC1C(=O)O)C(=O)OCC,CCCC(NC(C)C(=O)N1C2CCCCC2CC1C(=O)O)C(=O)OCC,"InChI=1/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)",C19H32N2O5,,,,,,IPVQLZZIHOAWMC-UHFFFAOYSA-N,Positive/Negative,EQ302601|EQ302602|EQ302603|EQ302604|EQ302605|EQ302606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,369.2389:172.1333:170.1177|172.1333:170.1179:295.202|98.0965:172.1333:72.0808|98.0965:172.1334:72.0808|98.0966:72.0808:56.0496|98.0966:56.0496:72.0808,Eawag,EQ302651|EQ302652|EQ302653|EQ302654|EQ302655|EQ302656,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,367.2236:168.1029:249.1972|168.1029:367.2236:124.0768|168.103:124.0768:96.0819|168.103:124.0768:96.0819|168.103:124.0768:83.0502|168.103:83.0502:109.0533,Eawag
100.072.788,280-090-8,83006-40-0,7-amino-4-hydroxy-3-(phenylazo)naphthalene-2-sulphonic acid,7-amino-4-hydroxy-3-(phenyldiazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c3cc1cc(N)ccc1c(O)c3N=Nc2ccccc2,OS(=O)(=O)c3cc1cc(N)ccc1c(O)c3N=Nc2ccccc2,"InChI=1/C16H13N3O4S/c17-11-6-7-13-10(8-11)9-14(24(21,22)23)15(16(13)20)19-18-12-4-2-1-3-5-12/h1-9,20H,17H2,(H,21,22,23)",C16H13N3O4S,,,,,,XLFWWVGLOLLVHO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.797,280-100-0,83006-50-2,6-(1-naphthylazo)naphthalene-2-sulphonic acid,6-(1-naphthyldiazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4cccc3ccccc34,OS(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4cccc3ccccc34,"InChI=1/C20H14N2O3S/c23-26(24,25)18-11-9-15-12-17(10-8-16(15)13-18)21-22-20-7-3-5-14-4-1-2-6-19(14)20/h1-13H,(H,23,24,25)",C20H14N2O3S,,,,,,MSUYHGURZDLSGY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.804,280-107-9,83006-58-0,Sodium 5-(1-naphthylazo)-8-(phenylamino)naphthalenesulphonate,sodium 8-anilino-5-(1-naphthyldiazenyl)naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c5cccc3c5c(ccc3N=Nc2cccc1ccccc12)Nc4ccccc4,[Na+].[O-]S(=O)(=O)c5cccc3c5c(ccc3N=Nc2cccc1ccccc12)Nc4ccccc4,"InChI=1/C26H19N3O3S.Na/c30-33(31,32)25-15-7-13-21-23(16-17-24(26(21)25)27-19-10-2-1-3-11-19)29-28-22-14-6-9-18-8-4-5-12-20(18)22;/h1-17,27H,(H,30,31,32);/q;+1/p-1",C26H19N3O3S.Na,,,,,,RFDUMAZSFNDRFC-UHFFFAOYSA-M,,,,,,,,,,,
100.072.807,280-111-0,83006-61-5,Ammonium 3-[(1-hydroxy-2-naphthyl)azo]benzenesulphonate,ammonium 3-[(1-hydroxy-2-naphthyl)diazenyl]benzenesulfonate,[NH4+].[O-]S(=O)(=O)c1cccc(c1)N=Nc3ccc2ccccc2c3O,[NH4+].[O-]S(=O)(=O)c1cccc(c1)N=Nc3ccc2ccccc2c3O,"InChI=1/C16H12N2O4S.H3N/c19-16-14-7-2-1-4-11(14)8-9-15(16)18-17-12-5-3-6-13(10-12)23(20,21)22;/h1-10,19H,(H,20,21,22);1H3",C16H12N2O4S.H3N,,,,,,CCAGIYLSVRBTBL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.176,277-216-9,73013-77-1,2-[[4-[(2-cyanoethyl)(2-phenoxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile,2-({4-[(2-cyanoethyl)(2-phenoxyethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CCOc2ccccc2)CCC#N)c(C#N)c3,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CCOc2ccccc2)CCC#N)c(C#N)c3,"InChI=1/C24H20N6O3/c25-13-4-14-29(15-16-33-23-5-2-1-3-6-23)21-9-7-20(8-10-21)27-28-24-12-11-22(30(31)32)17-19(24)18-26/h1-3,5-12,17H,4,14-16H2",C24H20N6O3,,,,,,DRTTUVOUBWLRPF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.190,277-232-6,73019-09-7,"1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium methyl sulphate","1,3,3-trimethyl-2-[methyl(4-methylphenyl)carbonohydrazonoyl]-3H-indolium methyl sulfate",[O-]S(=O)(=O)OC.Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[O-]S(=O)(=O)OC.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3.CH4O4S/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C20H24N3.CH3O4S,,,,,,WYYPHFSXWSKRQJ-UHFFFAOYSA-M,,,,,,,,,,,
100.052.296,257-544-9,51952-49-9,Isononyl acrylate,7-methyloctyl acrylate,CC(C)CCCCCCOC(=O)C=C,CC(C)CCCCCCOC(=O)C=C,"InChI=1/C12H22O2/c1-4-12(13)14-10-8-6-5-7-9-11(2)3/h4,11H,1,5-10H2,2-3H3",C12H22O2,,,,,,CUXGDKOCSSIRKK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.569,282-052-6,84083-04-5,Disodium 7-acetamido-4-hydroxy-3-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate,disodium 7-acetamido-4-hydroxy-3-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S([O-])(=O)=O,"InChI=1/C20H19N3O11S3.2Na/c1-12(24)21-14-5-6-17-13(9-14)10-18(36(28,29)30)19(20(17)25)23-22-15-3-2-4-16(11-15)35(26,27)8-7-34-37(31,32)33;;/h2-6,9-11,25H,7-8H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H19N3O11S3.2Na,,,,,,ZHWGTFYFZCBLSP-UHFFFAOYSA-L,,,,,,,,,,,
100.074.571,282-054-7,84083-06-7,"Trisodium 5-(benzoylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","trisodium 5-(benzoylamino)-4-hydroxy-3-[(4-methoxy-3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc1ccc(cc1S(=O)(=O)CCOS([O-])(=O)=O)N=Nc4c(cc3cc(cc(NC(=O)c2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc1ccc(cc1S(=O)(=O)CCOS([O-])(=O)=O)N=Nc4c(cc3cc(cc(NC(=O)c2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C26H23N3O15S4.3Na/c1-43-20-8-7-17(13-21(20)45(32,33)10-9-44-48(40,41)42)28-29-24-22(47(37,38)39)12-16-11-18(46(34,35)36)14-19(23(16)25(24)30)27-26(31)15-5-3-2-4-6-15;;;/h2-8,11-14,30H,9-10H2,1H3,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3",C26H23N3O15S4.3Na,,,,,,QFVNZEICRYXJNI-UHFFFAOYSA-K,,,,,,,,,,,
100.074.572,282-055-2,84083-07-8,"Disodium 5-(benzoylamino)-3-[[2-[2-(tert-butyl)-5-methylphenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 5-(benzoylamino)-3-{[2-(2-tert-butyl-5-methylphenoxy)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4ccccc4Oc3cc(C)ccc3C(C)(C)C)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4ccccc4Oc3cc(C)ccc3C(C)(C)C)S([O-])(=O)=O,"InChI=1/C34H31N3O9S2.2Na/c1-20-14-15-24(34(2,3)4)28(16-20)46-27-13-9-8-12-25(27)36-37-31-29(48(43,44)45)18-22-17-23(47(40,41)42)19-26(30(22)32(31)38)35-33(39)21-10-6-5-7-11-21;;/h5-19,38H,1-4H3,(H,35,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C34H31N3O9S2.2Na,,,,,,SVSKUNISPACGFI-UHFFFAOYSA-L,,,,,,,,,,,
100.074.573,282-056-8,84083-08-9,Sodium 7-(acetylamino)-3-hydroxy-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]naphthalene-1-sulphonate,sodium 7-acetamido-3-hydroxy-4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]naphthalene-1-sulfonate,[Na+].Oc3c(cc(C)cc3N=Nc2c1ccc(NC(C)=O)cc1c(cc2O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc3c(cc(C)cc3N=Nc2c1ccc(NC(C)=O)cc1c(cc2O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C19H16N4O8S.Na/c1-9-5-14(19(26)15(6-9)23(27)28)21-22-18-12-4-3-11(20-10(2)24)7-13(12)17(8-16(18)25)32(29,30)31;/h3-8,25-26H,1-2H3,(H,20,24)(H,29,30,31);/q;+1/p-1",C19H16N4O8S.Na,,,,,,YHOPCRRCQXPFBB-UHFFFAOYSA-M,,,,,,,,,,,
100.074.589,282-074-6,84083-24-9,"2,2'-[[2-[(2-aminoethyl)(2-hydroxyethyl)amino]ethyl]imino]bisethanol",2-[(2-aminoethyl){2-[bis(2-hydroxyethyl)amino]ethyl}amino]ethanol,NCCN(CCO)CCN(CCO)CCO,NCCN(CCO)CCN(CCO)CCO,"InChI=1/C10H25N3O3/c11-1-2-12(5-8-14)3-4-13(6-9-15)7-10-16/h14-16H,1-11H2",C10H25N3O3,,,,,,AAGUVQQKGCSYKO-UHFFFAOYSA-N,,,,,,,,,,,
100.074.590,282-075-1,84083-25-0,"2,2'-[[(2-hydroxyethyl)imino]bis(ethane-2,1-diylimino)]bisethanol","2,2'-{[(2-hydroxyethyl)imino]bis(ethane-2,1-diylimino)}diethanol",OCCNCCN(CCO)CCNCCO,OCCNCCN(CCO)CCNCCO,"InChI=1/C10H25N3O3/c14-8-3-11-1-5-13(7-10-16)6-2-12-4-9-15/h11-12,14-16H,1-10H2",C10H25N3O3,,,,,,KKSMLMWQMXNFPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.183,284-932-5,84989-41-3,"2-Oxetanone, 3-C12-16-alkyl-4-C13-17-alkylidene derivs.",4-pentadecylidene-3-tetradecyloxetan-2-one,CCCCCCCCCCCCCC\\C=C\\1/OC(=O)C1CCCCCCCCCCCCCC,CCCCCCCCCCCCCC\C=C\1/OC(=O)C1CCCCCCCCCCCCCC,"InChI=1/C32H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30(32(33)34-31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14721,https://echa.europa.eu/substance-information/-/substanceinfo/100.077.183,BKSVJFGDPOUPBY-YCNYHXFESA-N,,,,,,,,,,,
100.077.197,284-947-7,84996-11-2,4-(ethylsulphonyl)-2-nitrophenol,4-(ethylsulfonyl)-2-nitrophenol,CCS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],CCS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C8H9NO5S/c1-2-15(13,14)6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3",C8H9NO5S,,,,,,SGMLLKMQYTWRJX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.385,278-546-6,76765-60-1,Phenyl 3-amino-4-methylbenzoate,phenyl 3-amino-4-methylbenzoate,Cc1ccc(cc1N)C(=O)Oc2ccccc2,Cc1ccc(cc1N)C(=O)Oc2ccccc2,"InChI=1/C14H13NO2/c1-10-7-8-11(9-13(10)15)14(16)17-12-5-3-2-4-6-12/h2-9H,15H2,1H3",C14H13NO2,,,,,,FLDBLKUKZWISKY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.389,278-550-8,76784-42-4,"1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,2,2-trichloroethan-1-one","1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,2,2-trichloroethanone",FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)C(Cl)(Cl)Cl,FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)C(Cl)(Cl)Cl,"InChI=1/C12H7Cl3F6O3/c13-12(14,15)9(22)7-3-6(23-4-10(16,17)18)1-2-8(7)24-5-11(19,20)21/h1-3H,4-5H2",C12H7Cl3F6O3,,,,,,WLQMFVQUWGTSSW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.395,278-557-6,76823-80-8,"2-[2-[4-[(4-chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)propionate, compound with 2,4,6-trinitrophenol (1:2)","2-(2-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}ethoxy)ethyl 2-(3-benzoylphenyl)propanoate - 2,4,6-trinitrophenol (1:2)",[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O.[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O.O=C(c1ccccc1)c2cc(ccc2)C(C)C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4,[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O.[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O.O=C(c1ccccc1)c2cc(ccc2)C(C)C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4,"InChI=1/C37H39ClN2O4.2C6H3N3O7/c1-28(31-11-7-12-32(26-31)36(41)30-8-3-2-4-9-30)37(42)44-25-24-43-23-22-39-18-20-40(21-19-39)27-33-10-5-6-13-35(33)29-14-16-34(38)17-15-29;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-17,26,28H,18-25,27H2,1H3;2*1-2,10H",C37H39ClN2O4.2C6H3N3O7,,,,,,MPQCPVSKRBCVOM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.488,256-656-5,50618-92-3,"4,4'-difluoro-2,2'-dinitrobibenzyl","1,1'-ethane-1,2-diylbis(4-fluoro-2-nitrobenzene)",[O-][N+](=O)c1cc(F)ccc1CCc2ccc(F)cc2[N+](=O)[O-],[O-][N+](=O)c1cc(F)ccc1CCc2ccc(F)cc2[N+](=O)[O-],"InChI=1/C14H10F2N2O4/c15-11-5-3-9(13(7-11)17(19)20)1-2-10-4-6-12(16)8-14(10)18(21)22/h3-8H,1-2H2",C14H10F2N2O4,,,,,,NRDWMCMPPQKQMY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.494,256-662-8,50625-53-1,"2,3,3',4'-tetramethoxybenzophenone","(2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methanone",COc1ccc(cc1OC)C(=O)c2cccc(OC)c2OC,COc1ccc(cc1OC)C(=O)c2cccc(OC)c2OC,"InChI=1/C17H18O5/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10H,1-4H3",C17H18O5,,,,,,ZZMLFJJROAGMSL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.758,258-053-2,52628-03-2,"2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, phosphate",2-(methacryloyloxy)ethyl phosphate,CC(=C)C(=O)OCCOP(=O)([O-])[O-],CC(=C)C(=O)OCCOP(=O)([O-])[O-],"InChI=1/C6H11O6P/c1-5(2)6(7)11-3-4-12-13(8,9)10/h1,3-4H2,2H3,(H2,8,9,10)/p-2",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11037,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.758,SEILKFZTLVMHRR-UHFFFAOYSA-L,,,,,,,,,,,
100.052.766,258-062-1,52637-01-1,2-(2-hydroxyethoxy)ethyl chloroacetate,2-(2-hydroxyethoxy)ethyl chloroacetate,OCCOCCOC(=O)CCl,OCCOCCOC(=O)CCl,"InChI=1/C6H11ClO4/c7-5-6(9)11-4-3-10-2-1-8/h8H,1-5H2",C6H11ClO4,,,,,,CAWRWIWCXWVNCB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.768,258-064-2,52638-78-5,5-chloro-4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzenediazonium tetrachlorozincate (2:1),bis{5-chloro-4-[cyclohexyl(methyl)amino]-2-(trifluoromethyl)benzenediazonium} tetrachlorozincate(2-),CN(C1CCCCC1)c2cc(c(cc2Cl)[N+]#N)C(F)(F)F.CN(C3CCCCC3)c4cc(c(cc4Cl)[N+]#N)C(F)(F)F.Cl[Zn-2](Cl)(Cl)Cl,CN(C1CCCCC1)c2cc(c(cc2Cl)[N+]#N)C(F)(F)F.CN(C3CCCCC3)c4cc(c(cc4Cl)[N+]#N)C(F)(F)F.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H16ClF3N3.4ClH.Zn/c2*1-21(9-5-3-2-4-6-9)13-7-10(14(16,17)18)12(20-19)8-11(13)15;;;;;/h2*7-9H,2-6H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H16ClF3N3.Cl4Zn/c2*1-21(9-5-3-2-4-6-9)13-7-10(14(16,17)18)12(20-19)8-11(13)15;1-5(2,3)4/h2*7-9H,2-6H2,1H3;/q2*+1;-2",C14H16ClF3N3.1/2Cl4Zn,,,,,,LJCQOGFTMCSAOQ-UHFFFAOYSA-J,,,,,,,,,,,
100.052.776,258-073-1,52656-24-3,Dimethyl 4-[(3-aminophenyl)hydroxymethyl]phthalate,dimethyl 4-[(3-aminophenyl)(hydroxy)methyl]phthalate,COC(=O)c1ccc(cc1C(=O)OC)C(O)c2cccc(N)c2,COC(=O)c1ccc(cc1C(=O)OC)C(O)c2cccc(N)c2,"InChI=1/C17H17NO5/c1-22-16(20)13-7-6-11(9-14(13)17(21)23-2)15(19)10-4-3-5-12(18)8-10/h3-9,15,19H,18H2,1-2H3",C17H17NO5,,,,,,UBZGJSFNOQCQJF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.113,252-940-8,36267-71-7,"5,7-dihydro-2-methylthieno[3,4-d]pyrimidine","2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine",Cc1ncc2CSCc2n1,Cc1ncc2CSCc2n1,"InChI=1/C7H8N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2H,3-4H2,1H3",C7H8N2S,,,,,,XSUYIZJJKIKWFN-UHFFFAOYSA-N,,,,,,,,,,,
100.048.114,252-941-3,36268-59-4,N-[2-(cyanomethyl)phenyl]acetamide,N-[2-(cyanomethyl)phenyl]acetamide,CC(=O)Nc1ccccc1CC#N,CC(=O)Nc1ccccc1CC#N,"InChI=1/C10H10N2O/c1-8(13)12-10-5-3-2-4-9(10)6-7-11/h2-5H,6H2,1H3,(H,12,13)",C10H10N2O,,,,,,JBFOBBGWDSHIHK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.124,252-952-3,36293-63-7,tert-butyl 2-hydroxyisobutyrate,tert-butyl 2-hydroxy-2-methylpropanoate,CC(C)(C)OC(=O)C(C)(C)O,CC(C)(C)OC(=O)C(C)(C)O,"InChI=1/C8H16O3/c1-7(2,3)11-6(9)8(4,5)10/h10H,1-5H3",C8H16O3,,,,,,LYFHIDOIJPOKKR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.628,254-610-9,39739-46-3,Methyl valerimidate hydrochloride,methyl pentanimidoate hydrochloride,Cl.CCCCC(=N)OC,Cl.CCCCC(=N)OC,"InChI=1/C6H13NO.ClH/c1-3-4-5-6(7)8-2;/h7H,3-5H2,1-2H3;1H",C6H13NO.ClH,,,,,,UAIVSGKSLHIONB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.634,254-617-7,39748-53-3,Potassium ß-alaninate,potassium 3-aminopropanoate,[K+].NCCC(=O)[O-],[K+].NCCC(=O)[O-],"InChI=1/C3H7NO2.K/c4-2-1-3(5)6;/h1-2,4H2,(H,5,6);/q;+1/p-1",C3H7NO2.K,,,,,,KTGYMVZCDCHOFH-UHFFFAOYSA-M,,,,,,,,,,,
100.049.308,254-258-6,39043-53-3,"2-(heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate","2-heptadec-1-en-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium acetate",OCC[NH+]1CC\\N=C1\\C=CCCCCCCCCCCCCCCC.[O-]C(C)=O,OCC[NH+]1CC\N=C1\C=CCCCCCCCCCCCCCCC.[O-]C(C)=O,"InChI=1/C22H42N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h16-17,25H,2-15,18-21H2,1H3;1H3,(H,3,4)",C22H42N2O.C2H4O2,,,,,,UNHDWXNPGIJCGR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.314,254-264-9,39055-34-0,2-(3-cyclohexene-1-yl)ethyl acetate,2-cyclohex-3-en-1-ylethyl acetate,CC(=O)OCCC1CCC=CC1,CC(=O)OCCC1CCC=CC1,"InChI=1/C10H16O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-3,10H,4-8H2,1H3",C10H16O2,,,,,,HEYMGGRGEJTPBD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.317,254-268-0,39067-39-5,3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde,3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde,CCCC1C2CC(C=C2)C1C=O,CCCC1C2CC(C=C2)C1C=O,"InChI=1/C11H16O/c1-2-3-10-8-4-5-9(6-8)11(10)7-12/h4-5,7-11H,2-3,6H2,1H3",C11H16O,,,,,,RPJGEHBYOXRURE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.322,254-273-8,39070-63-8,"3,4-diaminobenzophenone","(3,4-diaminophenyl)(phenyl)methanone",Nc1ccc(cc1N)C(=O)c2ccccc2,Nc1ccc(cc1N)C(=O)c2ccccc2,"InChI=1/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2",C13H12N2O,,,,,,RXCOGDYOZQGGMK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.399,278-561-8,76835-64-8,Methyl 3-oxododecanoate,methyl 3-oxododecanoate,CCCCCCCCCC(=O)CC(=O)OC,CCCCCCCCCC(=O)CC(=O)OC,"InChI=1/C13H24O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h3-11H2,1-2H3",C13H24O3,,,,,,FHTQHJAYSZFNSI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.402,278-564-4,76891-00-4,"(2,5-dimethylpiperazine-1,4-diyl)diethylene bis[3-[3,5-di-tert-butyl-4-hydroxyphenyl]propionate]","3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid - 2,5-dimethyl-1,4-divinylpiperazine (2:1)",CC1CN(C=C)C(C)CN1C=C.CC(C)(C)c2cc(CCC(=O)O)cc(c2O)C(C)(C)C.CC(C)(C)c3cc(CCC(=O)O)cc(c3O)C(C)(C)C,CC1CN(C=C)C(C)CN1C=C.CC(C)(C)c2cc(CCC(=O)O)cc(c2O)C(C)(C)C.CC(C)(C)c3cc(CCC(=O)O)cc(c3O)C(C)(C)C,"InChI=1/2C17H26O3.C10H18N2/c2*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-5-11-7-10(4)12(6-2)8-9(11)3/h2*9-10,20H,7-8H2,1-6H3,(H,18,19);5-6,9-10H,1-2,7-8H2,3-4H3",C44H70N2O6,,,,,,DETKSBJUOAXTMF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.408,278-571-2,76905-54-9,"2,2'-[hexane-1,6-diylbis[(methylimino)(2-methyl-4,1-phenylene)methylidyne]]bismalononitrile","2,2'-{hexane-1,6-diylbis[(methylimino)(2-methyl-4,1-phenylene)methylylidene]}dimalononitrile",CN(CCCCCCN(C)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,CN(CCCCCCN(C)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C30H32N6/c1-23-15-29(11-9-27(23)17-25(19-31)20-32)35(3)13-7-5-6-8-14-36(4)30-12-10-28(24(2)16-30)18-26(21-33)22-34/h9-12,15-18H,5-8,13-14H2,1-4H3",C30H32N6,,,,,,YJXYEXVSERPXCI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.414,278-578-0,76928-37-5,"6,8-dibromo-1,4-dihydro-2H-3,1-benzoxazin-2-one","6,8-dibromo-1,4-dihydro-2H-3,1-benzoxazin-2-one",Brc1cc(Br)c2NC(=O)OCc2c1,Brc1cc(Br)c2NC(=O)OCc2c1,"InChI=1/C8H5Br2NO2/c9-5-1-4-3-13-8(12)11-7(4)6(10)2-5/h1-2H,3H2,(H,11,12)",C8H5Br2NO2,,,,,,RQJFMNQNCRVVFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.288,280-640-7,83732-88-1,"10-bromo-6-[(6,11-dihydro-6,11-dioxo-2-phenylnaphtho[2,3-g]quinazolin-4-yl)amino]naphth[2,3-c]acridine-5,8,14(13H)-trione","10-bromo-6-[(6,11-dioxo-2-phenyl-6,11-dihydronaphtho[2,3-g]quinazolin-4-yl)amino]naphtho[2,3-c]acridine-5,8,14(13H)-trione",Brc1ccc2Nc3c(cc(Nc4nc(nc5cc6C(=O)c7ccccc7C(=O)c6cc45)c8ccccc8)c9C(=O)c%10ccccc%10C(=O)c39)C(=O)c2c1,Brc1ccc2Nc3c(cc(Nc4nc(nc5cc6C(=O)c7ccccc7C(=O)c6cc45)c8ccccc8)c9C(=O)c%10ccccc%10C(=O)c39)C(=O)c2c1,"InChI=1/C43H21BrN4O5/c44-21-14-15-31-28(16-21)39(51)30-19-33(34-35(36(30)45-31)41(53)25-13-7-6-12-24(25)40(34)52)47-43-29-17-26-27(38(50)23-11-5-4-10-22(23)37(26)49)18-32(29)46-42(48-43)20-8-2-1-3-9-20/h1-19H,(H,45,51)(H,46,47,48)",C43H21BrN4O5,,,,,,JMZKXZDQPKPJBK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.600,282-086-1,84100-05-0,"Disodium 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate","disodium 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].[Na+].Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O,[Na+].[Na+].Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O,"InChI=1/C19H16ClN9O7S2.2Na/c1-9-15(16(30)29(28-9)11-3-5-12(6-4-11)37(31,32)33)27-26-13-8-10(2-7-14(13)38(34,35)36)22-19-24-17(20)23-18(21)25-19;;/h2-8,15H,1H3,(H,31,32,33)(H,34,35,36)(H3,21,22,23,24,25);;/q;2*+1/p-2",C19H16ClN9O7S2.2Na,,,,,,BMTKLUKLKZQLSB-UHFFFAOYSA-L,,,,,,,,,,,
100.074.605,282-091-9,84100-10-7,"2-[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]-2,4-dihydro-5-methyl-4-[(2-nitrophenyl)azo]-3H-pyrazol-3-one","2-[(4-methoxy-3-{3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl acetate",CC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccccc2[N+]([O-])=O)C3=O,CC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccccc2[N+]([O-])=O)C3=O,"InChI=1/C21H21N5O8S/c1-13-20(23-22-16-6-4-5-7-17(16)26(29)30)21(28)25(24-13)18-12-15(8-9-19(18)33-3)35(31,32)11-10-34-14(2)27/h4-9,12,20H,10-11H2,1-3H3",C21H21N5O8S,,,,,,SRCABEWMQJCWJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.606,282-092-4,84100-11-8,"Potassium 2,2,3,3-tetrafluoro-3-(heptafluoropropoxy)propionate","potassium 2,2,3,3-tetrafluoro-3-(heptafluoropropoxy)propanoate",[K+].[O-]C(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F,[K+].[O-]C(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C6HF11O3.K/c7-2(8,1(18)19)5(14,15)20-6(16,17)3(9,10)4(11,12)13;/h(H,18,19);/q;+1/p-1",C6HF11O3.K,,,,,,CKTWTECPUYMAJI-UHFFFAOYSA-M,,,,,,,,,,,
100.074.615,282-102-7,84100-21-0,"Maleic acid, compound with 1-methyl-3-morpholinopropyl 4-phenyltetrahydro-2H-pyran-4-carboxylate (1:1)",1-methyl-3-morpholin-4-ylpropyl 4-phenyltetrahydro-2H-pyran-4-carboxylate but-2-enedioate,CC(CCN1CCOCC1)OC(=O)C2(CCOCC2)c3ccccc3.OC(=O)\\C=C/C(=O)O,CC(CCN1CCOCC1)OC(=O)C2(CCOCC2)c3ccccc3.OC(=O)\C=C/C(=O)O,"InChI=1/C20H29NO4.C4H4O4/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18;5-3(6)1-2-4(7)8/h2-6,17H,7-16H2,1H3;1-2H,(H,5,6)(H,7,8)",C20H29NO4.C4H4O4,,,,,,VMSOGWUYAVQENJ-BTJKTKAUSA-N,,,,,,,,,,,
100.074.616,282-103-2,84100-22-1,Diethyl (1-methylbutyl)vinylmalonate,diethyl (1-methylbutyl)(vinyl)malonate,CCCC(C)C(C=C)(C(=O)OCC)C(=O)OCC,CCCC(C)C(C=C)(C(=O)OCC)C(=O)OCC,"InChI=1/C14H24O4/c1-6-10-11(5)14(7-2,12(15)17-8-3)13(16)18-9-4/h7,11H,2,6,8-10H2,1,3-5H3",C14H24O4,,,,,,QEWHCHQTQURLGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.297,257-545-4,51953-17-4,3H-pyrimidin-4-one,pyrimidin-4(3H)-one,O=C1NC=NC=C1,O=C1NC=NC=C1,"InChI=1/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",C4H4N2O,,,,,,DNCYBUMDUBHIJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.307,257-556-4,51959-89-8,"1-benzoyl-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide","1-benzoyl-5-oxo-N,N-dipropylprolinamide",CCCN(CCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CCCN(CCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C18H24N2O3/c1-3-12-19(13-4-2)18(23)15-10-11-16(21)20(15)17(22)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3",C18H24N2O3,,,,,,VLJYURHJBDTROS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.308,257-558-5,51959-90-1,4-[(benzoyl-5-oxopyrrolidin-2-yl)carbonyl]morpholine,1-benzoyl-5-(morpholin-4-ylcarbonyl)pyrrolidin-2-one,O=C(C1CCC(=O)N1C(=O)c2ccccc2)N3CCOCC3,O=C(C1CCC(=O)N1C(=O)c2ccccc2)N3CCOCC3,"InChI=1/C16H18N2O4/c19-14-7-6-13(16(21)17-8-10-22-11-9-17)18(14)15(20)12-4-2-1-3-5-12/h1-5,13H,6-11H2",C16H18N2O4,,,,,,RUYWHIXOSWODCC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.310,257-560-6,51959-92-3,"1-benzoyl-N,N-diethyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-diethyl-5-oxoprolinamide",CCN(CC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CCN(CC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C16H20N2O3/c1-3-17(4-2)16(21)13-10-11-14(19)18(13)15(20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",C16H20N2O3,,,,,,BQWDCWDJASHHKV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.324,257-575-8,51981-34-1,2-methyl-5-phenyl-3-(3-sulphonatobutyl)benzoxazolium,"4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butane-2-sulfonate",CC(CC[n+]1c(C)oc2ccc(cc12)c3ccccc3)S(=O)(=O)[O-],CC(CC[n+]1c(C)oc2ccc(cc12)c3ccccc3)S(=O)(=O)[O-],"InChI=1/C18H19NO4S/c1-13(24(20,21)22)10-11-19-14(2)23-18-9-8-16(12-17(18)19)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3",C18H19NO4S,,,,,,LXYXJHCXGLHZPE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.325,257-576-3,51984-75-9,Benzyl (20ß)-3ß-hydroxy-12-oxoolean-12-en-29-oate,benzyl 3-hydroxy-11-oxoolean-12-en-29-oate,CC12CCC(C)(CC1C3=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2)C(=O)OCc6ccccc6,CC12CCC(C)(CC1C3=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2)C(=O)OCc6ccccc6,"InChI=1/C37H52O4/c1-32(2)28-13-16-37(7)30(35(28,5)15-14-29(32)39)27(38)21-25-26-22-34(4,18-17-33(26,3)19-20-36(25,37)6)31(40)41-23-24-11-9-8-10-12-24/h8-12,21,26,28-30,39H,13-20,22-23H2,1-7H3",C37H52O4,,,,,,UNRVOFRDIGTQBY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.327,257-578-4,51986-91-5,"2,2'-diethyl dihydrogen 4,4'-carbonylbisphthalate","4,4'-carbonylbis[2-(ethoxycarbonyl)benzoic acid]",CCOC(=O)c1cc(ccc1C(=O)O)C(=O)c2ccc(C(=O)O)c(c2)C(=O)OCC,CCOC(=O)c1cc(ccc1C(=O)O)C(=O)c2ccc(C(=O)O)c(c2)C(=O)OCC,"InChI=1/C21H18O9/c1-3-29-20(27)15-9-11(5-7-13(15)18(23)24)17(22)12-6-8-14(19(25)26)16(10-12)21(28)30-4-2/h5-10H,3-4H2,1-2H3,(H,23,24)(H,25,26)",C21H18O9,,,,,,GUELVDUBXBMBMG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.335,257-587-3,51988-34-2,"N,N-diethyl-3'-methyl-2,2'-spirobi[2H-1-benzopyran]-7-amine","N,N-diethyl-3'-methyl-2,2'-spirobi[chromen]-7-amine",CCN(CC)c1ccc2C=CC3(Oc4ccccc4C=C3C)Oc2c1,CCN(CC)c1ccc2C=CC3(Oc4ccccc4C=C3C)Oc2c1,"InChI=1/C22H23NO2/c1-4-23(5-2)19-11-10-17-12-13-22(25-21(17)15-19)16(3)14-18-8-6-7-9-20(18)24-22/h6-15H,4-5H2,1-3H3",C22H23NO2,,,,,,WTUILHKBEDHSAX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.336,257-588-9,51989-01-6,"(1-methylethylidene)bis(4,1-phenyleneoxy-3,1-propanediyl) diacrylate","propane-2,2-diylbis(4,1-phenyleneoxypropane-3,1-diyl) bisacrylate",CC(C)(c1ccc(OCCCOC(=O)C=C)cc1)c2ccc(OCCCOC(=O)C=C)cc2,CC(C)(c1ccc(OCCCOC(=O)C=C)cc1)c2ccc(OCCCOC(=O)C=C)cc2,"InChI=1/C27H32O6/c1-5-25(28)32-19-7-17-30-23-13-9-21(10-14-23)27(3,4)22-11-15-24(16-12-22)31-18-8-20-33-26(29)6-2/h5-6,9-16H,1-2,7-8,17-20H2,3-4H3",C27H32O6,,,,,,LKJTVGPNIFDNOA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.337,257-589-4,51994-11-7,"4-hydroxy-2-(1-hydroxyethyl)-2,5-dimethylfuran-3(2H)-one","1,4-anhydro-6-deoxy-1,4-dimethylhex-1-en-3-ulose",CC(O)C1(C)OC(=C(O)C1=O)C,CC(O)C1(C)OC(=C(O)C1=O)C,"InChI=1/C8H12O4/c1-4-6(10)7(11)8(3,12-4)5(2)9/h5,9-10H,1-3H3",C8H12O4,,,,,,HEBLFQHRAHRFNP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.974,278-095-5,75180-41-5,(1-phenylcyclopropyl)methyl isothiocyanate,[1-(isothiocyanatomethyl)cyclopropyl]benzene,S=C=NCC1(CC1)c2ccccc2,S=C=NCC1(CC1)c2ccccc2,"InChI=1/C11H11NS/c13-9-12-8-11(6-7-11)10-4-2-1-3-5-10/h1-5H,6-8H2",C11H11NS,,,,,,LOQAGKKIXWJZSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.975,278-096-0,75186-21-9,Dipotassium N-(1-methyl-3-oxobut-1-enyl)-L-aspartate,dipotassium 2-[(1-methyl-3-oxobut-1-en-1-yl)amino]succinate,[K+].[K+].[O-]C(=O)[C@H](CC([O-])=O)NC(C)=CC(C)=O,[K+].[K+].[O-]C(=O)[C@H](CC([O-])=O)NC(C)=CC(C)=O,"InChI=1/C9H13NO5.2K/c1-5(3-6(2)11)10-7(9(14)15)4-8(12)13;;/h3,7,10H,4H2,1-2H3,(H,12,13)(H,14,15);;/q;2*+1/p-2",C9H13NO5.2K,,,,,,VLAYHDQEMOHJEF-KLXURFKVSA-L,,,,,,,,,,,
100.070.996,278-118-9,75199-19-8,"2-[[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl](2-hydroxyethyl)amino]ethyl acetate","2-[{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}(2-hydroxyethyl)amino]ethyl acetate",Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(CCO)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(CCO)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C22H25BrN6O9/c1-4-37-21-12-18(25-26-22-16(23)9-15(28(33)34)10-20(22)29(35)36)17(24-13(2)31)11-19(21)27(5-7-30)6-8-38-14(3)32/h9-12,30H,4-8H2,1-3H3,(H,24,31)",C22H25BrN6O9,,,,,,ZWJGCRVWLUKGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.396,278-558-1,76823-83-1,2-(3-benzoylphenyl)propionoyl 2-[2-[4-[(4-chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl maleate,2-(3-benzoylphenyl)propanoic 4-[2-(2-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}ethoxy)ethoxy]-4-oxobut-2-enoic anhydride,O=C(c1ccccc1)c2cc(ccc2)C(C)C(=O)OC(=O)/C=C\\C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4,O=C(c1ccccc1)c2cc(ccc2)C(C)C(=O)OC(=O)/C=C\C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4,"InChI=1/C41H41ClN2O7/c1-30(33-11-7-12-34(28-33)40(47)32-8-3-2-4-9-32)41(48)51-39(46)19-18-38(45)50-27-26-49-25-24-43-20-22-44(23-21-43)29-35-10-5-6-13-37(35)31-14-16-36(42)17-15-31/h2-19,28,30H,20-27,29H2,1H3",C37H39ClN2O4.C4H4O4,,,,,,WZFPDWAUKZWUOG-HNENSFHCSA-N,,,,,,,,,,,
100.071.411,278-574-9,76917-23-2,"(2E,6Z)-2,6-octadienal","octa-2,6-dienal",C\\C=C/CC\\C=C\\C=O,C\C=C/CC\C=C\C=O,"InChI=1/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3",C8H12O,,,,,,CBXNRMOWVZUZQA-BRXUXDTNSA-N,,,,,,,,,,,
100.071.413,278-577-5,76918-64-4,Ethyl 3-nitro-4-aminobenzoate,ethyl 4-amino-3-nitrobenzoate,CCOC(=O)c1ccc(N)c(c1)[N+](=O)[O-],CCOC(=O)c1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C9H10N2O4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2,10H2,1H3",C9H10N2O4,,,,,,HPCYANYWTUCLMH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.415,278-579-6,76937-05-8,"2-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]pentan-1-ol","2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol",CCCC(CO)=CCC1C\\C=C(\\C)C1(C)C,CCCC(CO)=CCC1C\C=C(\C)C1(C)C,"InChI=1/C15H26O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7-8,14,16H,5-6,9-11H2,1-4H3",C15H26O,,,,,,MDLCAUNJOHZXEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.418,278-582-2,76965-49-6,"1,3-bis[(phenylsulphonyl)methyl]urea","1,3-bis[(phenylsulfonyl)methyl]urea",O=C(NCS(=O)(=O)c1ccccc1)NCS(=O)(=O)c2ccccc2,O=C(NCS(=O)(=O)c1ccccc1)NCS(=O)(=O)c2ccccc2,"InChI=1/C15H16N2O5S2/c18-15(16-11-23(19,20)13-7-3-1-4-8-13)17-12-24(21,22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)",C15H16N2O5S2,,,,,,LXVYBJVWOGJFJO-UHFFFAOYSA-N,,,,,,,,,,,
100.074.596,282-081-4,84100-01-6,Disodium 3-methyl-5-[(6-sulphonato-2-naphthyl)azo]salicylate,disodium 2-hydroxy-3-methyl-5-[(6-sulfonato-2-naphthyl)diazenyl]benzoate,[Na+].[Na+].Cc3cc(N=Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)cc(C([O-])=O)c3O,[Na+].[Na+].Cc3cc(N=Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)cc(C([O-])=O)c3O,"InChI=1/C18H14N2O6S.2Na/c1-10-6-14(9-16(17(10)21)18(22)23)20-19-13-4-2-12-8-15(27(24,25)26)5-3-11(12)7-13;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2",C18H14N2O6S.2Na,,,,,,SVPGNVUJXUQAAX-UHFFFAOYSA-L,,,,,,,,,,,
100.074.609,282-096-6,84100-14-1,3-methyl-2-[2-(phenylamino)vinyl]benzoxazolium iodide,"2-(2-anilinovinyl)-3-methyl-1,3-benzoxazol-3-ium iodide",[I-].C[n+]1c(oc2ccccc12)\\C=C\\Nc3ccccc3,[I-].C[n+]1c(oc2ccccc12)\C=C\Nc3ccccc3,"InChI=1/C16H14N2O.HI/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;/h2-12H,1H3;1H",C16H15N2O.I,,,,,,VNSBKPUDNWRFJU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.611,282-098-7,84100-16-3,2-[N-(4-chloro-2-methylphenyl)carbamoyl]-3-naphthyl acetate,3-[(4-chloro-2-methylphenyl)carbamoyl]-2-naphthyl acetate,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3C,CC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3C,"InChI=1/C20H16ClNO3/c1-12-9-16(21)7-8-18(12)22-20(24)17-10-14-5-3-4-6-15(14)11-19(17)25-13(2)23/h3-11H,1-2H3,(H,22,24)",C20H16ClNO3,,,,,,YDDXGGLEFKLWAW-UHFFFAOYSA-N,,,,,,,,,,,
100.074.613,282-100-6,84100-18-5,2-methylene-3-butyn-1-ol,2-methylenebut-3-yn-1-ol,OCC(=C)C#C,OCC(=C)C#C,"InChI=1/C5H6O/c1-3-5(2)4-6/h1,6H,2,4H2",C5H6O,,,,,,YRYSPWUYQBDGOD-UHFFFAOYSA-N,,,,,,,,,,,
100.074.619,282-106-9,84100-25-4,Cyclohexan-1-one O-[(vinylamino)carbonyl]oxime,cyclohexan-1-one O-[(vinylamino)carbonyl]oxime,C=CNC(=O)ON=C1CCCCC1,C=CNC(=O)ON=C1CCCCC1,"InChI=1/C9H14N2O2/c1-2-10-9(12)13-11-8-6-4-3-5-7-8/h2H,1,3-7H2,(H,10,12)",C9H14N2O2,,,,,,JMUBBNIWBAJXBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.624,282-112-1,84100-31-2,"Trisodium naphthalene-1,3,7-trisulphonate","trisodium naphthalene-1,3,7-trisulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O9S3.3Na/c11-20(12,13)7-2-1-6-3-8(21(14,15)16)5-10(9(6)4-7)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3",C10H8O9S3.3Na,,,,,,ZMIKQGGRDSRURY-UHFFFAOYSA-K,,,,,,,,,,,
100.077.241,284-995-9,85005-63-6,"4-[(2,4-dinitrophenyl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide","4-[(2,4-dinitrophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthamide",[O-][N+](=O)c4ccc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c(c4)[N+]([O-])=O,[O-][N+](=O)c4ccc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c(c4)[N+]([O-])=O,"InChI=1/C23H15N5O6/c29-22-18(23(30)24-15-7-2-1-3-8-15)12-14-6-4-5-9-17(14)21(22)26-25-19-11-10-16(27(31)32)13-20(19)28(33)34/h1-13,29H,(H,24,30)",C23H15N5O6,,,,,,IXVZAOJDLOSZQG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.250,278-398-2,76241-79-7,"3-chlorobenzene-1,2-dicarbonitrile",3-chlorophthalonitrile,Clc1cccc(C#N)c1C#N,Clc1cccc(C#N)c1C#N,InChI=1/C8H3ClN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H,C8H3ClN2,,,,,,LZQGFZMYLYXXHI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.251,278-399-8,76245-86-8,"1,2,2,6,6-pentamethyl-4-(vinyloxy)piperidine","1,2,2,6,6-pentamethyl-4-(vinyloxy)piperidine",CN1C(C)(C)CC(CC1(C)C)OC=C,CN1C(C)(C)CC(CC1(C)C)OC=C,"InChI=1/C12H23NO/c1-7-14-10-8-11(2,3)13(6)12(4,5)9-10/h7,10H,1,8-9H2,2-6H3",C12H23NO,,,,,,OJQZHTMCZVPUCF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.323,254-274-3,39072-70-3,"N,N''-hexane-1,6-diylbis[N'-benzylurea]","N',N'''-hexane-1,6-diylbis(1-benzylurea)",O=C(NCCCCCCNC(=O)NCc1ccccc1)NCc2ccccc2,O=C(NCCCCCCNC(=O)NCc1ccccc1)NCc2ccccc2,"InChI=1/C22H30N4O2/c27-21(25-17-19-11-5-3-6-12-19)23-15-9-1-2-10-16-24-22(28)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25,27)(H2,24,26,28)",C22H30N4O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13773,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.323,KTVATEBHFLZLCI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.335,254-287-4,39096-97-4,Vanadium dihydroxide,vanadium(2+) dihydroxide,[OH-].[OH-].[V+2],[OH-].[OH-].[V+2],InChI=1/2H2O.V/h2*1H2;/q;;+2/p-2,H2O2V,,,,,,UVEFAEMXFFXFKB-UHFFFAOYSA-L,,,,,,,,,,,
100.049.343,254-296-3,39108-47-9,"1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-butyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CCCCN1C(=CC(=C(C#N)C1=O)C)O,CCCCN1C(=CC(=C(C#N)C1=O)C)O,"InChI=1/C11H14N2O2/c1-3-4-5-13-10(14)6-8(2)9(7-12)11(13)15/h6,14H,3-5H2,1-2H3",C11H14N2O2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16730,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.343,UGNXZCBVIDOPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.344,254-297-9,39114-45-9,"Tris(hexane-2,4-dionato-O,O')iron",iron(3+) tris(5-oxohex-3-en-3-olate),CCC(=CC(=O)C)O[Fe](OC(=CC(=O)C)CC)OC(=CC(=O)C)CC,CCC(=CC(=O)C)O[Fe](OC(=CC(=O)C)CC)OC(=CC(=O)C)CC,"InChI=1/3C6H10O2.Fe/c3*1-3-6(8)4-5(2)7;/h3*4,8H,3H2,1-2H3;/q;;;+3/p-3",C18H27FeO6,,,,,,LVFBVYKPSNUCAZ-UHFFFAOYSA-K,,,,,,,,,,,
100.049.348,254-302-4,39120-56-4,"1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, sodium salt",-,[Na+].CC1=C(C#N)C(=O)NC(=C1)O,[Na+].CC1=C(C#N)C(=O)NC(=C1)O,"InChI=1/C7H6N2O2.Na/c1-4-2-6(10)9-7(11)5(4)3-8;/h2H,1H3,(H2,9,10,11);/q;+1",C7H6N2O2.Na,,,,,,XUIVGYDECFYVGU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.349,254-304-5,39123-11-0,Pituxate,"2-piperidin-1-ylethyl 2,2-diphenylcyclopropanecarboxylate",O=C(OCCN1CCCCC1)C2CC2(c3ccccc3)c4ccccc4,O=C(OCCN1CCCCC1)C2CC2(c3ccccc3)c4ccccc4,"InChI=1/C23H27NO2/c25-22(26-17-16-24-14-8-3-9-15-24)21-18-23(21,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2",C23H27NO2,,,,,,RBGWIGCQQIJVGI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.251,258-594-4,53512-20-2,"Succinimido (1,5-naphthyridin-3-yl)formate","1-{[(4-hydroxy-1,5-naphthyridin-3-yl)carbonyl]oxy}pyrrolidine-2,5-dione",Oc1c(cnc2cccnc12)C(=O)ON3C(=O)CCC3=O,Oc1c(cnc2cccnc12)C(=O)ON3C(=O)CCC3=O,"InChI=1/C13H9N3O5/c17-9-3-4-10(18)16(9)21-13(20)7-6-15-8-2-1-5-14-11(8)12(7)19/h1-2,5-6H,3-4H2,(H,15,19)",C13H9N3O5,,,,,,HVMMEIRWFZNBHK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.253,258-597-0,53518-00-6,Trimethyl-3-[[(nonafluorobutyl)sulphonyl]amino]propylammonium chloride,"N,N,N-trimethyl-3-{[(nonafluorobutyl)sulfonyl]amino}propan-1-aminium chloride",[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H16F9N2O2S.ClH/c1-21(2,3)6-4-5-20-24(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17;/h20H,4-6H2,1-3H3;1H/q+1;/p-1",C10H16F9N2O2S.Cl,,,,,,XPUBELOONPJHFF-UHFFFAOYSA-M,,,,,,,,,,,
100.053.254,258-598-6,53518-14-2,7-(dimethylamino)-4-(trifluoromethyl)-2-benzopyrone,7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one,CN(C)c1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,CN(C)c1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,"InChI=1/C12H10F3NO2/c1-16(2)7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6H,1-2H3",C12H10F3NO2,,,,,,KDTAEYOYAZPLIC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.258,258-602-6,53520-66-4,3-icosylsuccinic anhydride,"3-icosyldihydrofuran-2,5-dione",CCCCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O,CCCCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1/C24H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21-23(25)27-24(22)26/h22H,2-21H2,1H3",C24H44O3,,,,,,YOGGQENQAQOXCE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.263,258-607-3,53525-50-1,"Tetrakis(2-ethylhexyl) bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate","tetrakis(2-ethylhexyl) bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate",CCCCC(CC)COC(=O)C1C2C=CC(C(C2C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)C1C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)C1C2C=CC(C(C2C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)C1C(=O)OCC(CC)CCCC,"InChI=1/C44H76O8/c1-9-17-21-31(13-5)27-49-41(45)37-35-25-26-36(38(37)42(46)50-28-32(14-6)22-18-10-2)40(44(48)52-30-34(16-8)24-20-12-4)39(35)43(47)51-29-33(15-7)23-19-11-3/h25-26,31-40H,9-24,27-30H2,1-8H3",C44H76O8,,,,,,VENBFVLJOSNUFN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.265,258-611-5,53531-34-3,"(-)-2,2,2-trifluoro-1-(9-anthryl)ethanol","1-(9-anthryl)-2,2,2-trifluoroethanol",OC(c1c2ccccc2cc3ccccc13)C(F)(F)F,OC(c1c2ccccc2cc3ccccc13)C(F)(F)F,"InChI=1/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H",C16H11F3O,,,,,,ICZHJFWIOPYQCA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.266,258-612-0,53531-57-0,"4-methyl-2,6-diphenylpyridine","4-methyl-2,6-diphenylpyridine",Cc1cc(nc(c1)c2ccccc2)c3ccccc3,Cc1cc(nc(c1)c2ccccc2)c3ccccc3,"InChI=1/C18H15N/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16/h2-13H,1H3",C18H15N,,,,,,IRJCHLDRHLQLGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.273,258-619-9,53542-42-0,4-[3-[6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-yl]propyl]piperazine-1-ethanol dihydrochloride,2-(4-{3-[6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-yl]propyl}piperazin-1-yl)ethanol dihydrochloride,Cl.Cl.OCCN1CCN(CCCC2c3ccc(F)cc3Sc4ccc(cc24)C(F)(F)F)CC1,Cl.Cl.OCCN1CCN(CCCC2c3ccc(F)cc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C23H26F4N2OS.2ClH/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17;;/h3-6,14-15,18,30H,1-2,7-13H2;2*1H",C23H26F4N2OS.2ClH,,,,,,XYVCUQHFZOJKNW-UHFFFAOYSA-N,,,,,,,,,,,
100.074.618,282-105-3,84100-24-3,Butan-2-one O-[(vinylamino)carbonyl]oxime,butan-2-one O-[(vinylamino)carbonyl]oxime,CCC(C)=NOC(=O)NC=C,CCC(C)=NOC(=O)NC=C,"InChI=1/C7H12N2O2/c1-4-6(3)9-11-7(10)8-5-2/h5H,2,4H2,1,3H3,(H,8,10)",C7H12N2O2,,,,,,LMYJMOOCCAZUDF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.620,282-107-4,84100-26-5,2-oxo-N-vinylpyrrolidine-1-carboxamide,2-oxo-N-vinylpyrrolidine-1-carboxamide,C=CNC(=O)N1CCCC1=O,C=CNC(=O)N1CCCC1=O,"InChI=1/C7H10N2O2/c1-2-8-7(11)9-5-3-4-6(9)10/h2H,1,3-5H2,(H,8,11)",C7H10N2O2,,,,,,CNEFLUZLIJSCQT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.244,284-999-0,85005-66-9,p-propylphenyl trans-p-(4-pentylcyclohexyl)benzoate,4-propylphenyl 4-(4-pentylcyclohexyl)benzoate,CCCCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(CCC)cc3,CCCCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(CCC)cc3,"InChI=1/C27H36O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h11-12,15-20,22-23H,3-10,13-14H2,1-2H3",C27H36O2,,,,,,VDXLRVQMTSSZRM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.246,285-001-6,85005-68-1,"3,5-dibromobenzene-1,2-diamine dihydrochloride","3,5-dibromobenzene-1,2-diamine dihydrochloride",Cl.Cl.Nc1cc(Br)cc(Br)c1N,Cl.Cl.Nc1cc(Br)cc(Br)c1N,"InChI=1/C6H6Br2N2.2ClH/c7-3-1-4(8)6(10)5(9)2-3;;/h1-2H,9-10H2;2*1H",C6H6Br2N2.2ClH,,,,,,XCKKOBMMDBZIKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.248,285-003-7,85005-71-6,2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate,"2-({4-[butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate",[O-]C(C)=O.N#CCCN(CCCC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]C(C)=O.N#CCCN(CCCC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C22H26N5OS.C2H4O2/c1-4-5-14-27(15-6-13-23)18-9-7-17(8-10-18)24-25-22-26(2)20-12-11-19(28-3)16-21(20)29-22;1-2(3)4/h7-12,16H,4-6,14-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C22H26N5OS.C2H3O2,,,,,,KWKWNGFYXFQAEC-UHFFFAOYSA-M,,,,,,,,,,,
100.071.421,278-585-9,76994-37-1,"[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium acetate",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.CC(=O)[O-],CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.CC(=O)[O-],"InChI=1/C27H33N2.C2H4O2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-2(3)4/h9-21H,5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C27H33N2.C2H3O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17358,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.421,ZACIFCVOARIOBT-UHFFFAOYSA-M,,,,,,,,,,,
100.071.427,278-592-7,77015-05-5,"5,10-dioxo-5H,10H-diimidazo[1,5-a:1',5'-d]pyrazine-1,6-dicarboxylic acid","5,10-dioxo-5H,10H-diimidazo[1,5-a:1',5'-d]pyrazine-1,6-dicarboxylic acid",OC(=O)c1ncn2C(=O)c3c(ncn3C(=O)c12)C(=O)O,OC(=O)c1ncn2C(=O)c3c(ncn3C(=O)c12)C(=O)O,"InChI=1/C10H4N4O6/c15-7-6-4(10(19)20)12-2-14(6)8(16)5-3(9(17)18)11-1-13(5)7/h1-2H,(H,17,18)(H,19,20)",C10H4N4O6,,,,,,QLKMAJLWDKHCKY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.442,278-609-8,77085-61-1,(E)-5-tridecylidenefuran-2(5H)-one,5-tridecylidenefuran-2(5H)-one,CCCCCCCCCCCC\\C=C/1\\OC(=O)C=C1,CCCCCCCCCCCC\C=C/1\OC(=O)C=C1,"InChI=1/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h13-15H,2-12H2,1H3",C17H28O2,,,,,,UQSPNCHPSSEQIM-DTQAZKPQSA-N,,,,,,,,,,,
100.071.443,278-610-3,77085-63-3,(Z)-5-undecylidenefuran-2(5H)-one,5-undecylidenefuran-2(5H)-one,CCCCCCCCCC\\C=C\\1/OC(=O)C=C1,CCCCCCCCCC\C=C\1/OC(=O)C=C1,"InChI=1/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15(16)17-14/h11-13H,2-10H2,1H3",C15H24O2,,,,,,QIKKUOPGWZUABH-KAMYIIQDSA-N,,,,,,,,,,,
100.071.450,278-618-7,77093-96-0,"3-(2-bromoethyl)quinazoline-2,4(1H,3H)-dione","3-(2-bromoethyl)quinazoline-2,4(1H,3H)-dione",BrCCN1C(=O)Nc2ccccc2C1=O,BrCCN1C(=O)Nc2ccccc2C1=O,"InChI=1/C10H9BrN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)",C10H9BrN2O2,,,,,,HDTBGSPQYIYDES-UHFFFAOYSA-N,,,,,,,,,,,
100.071.460,278-629-7,77129-49-8,"2',6'-dihydroxy-4'-methoxychalcone","1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one",COc1cc(O)c(C(=O)\\C=C\\c2ccccc2)c(O)c1,COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1,"InChI=1/C16H14O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3",C16H14O4,,,,,,CUGDOWNTXKLQMD-BQYQJAHWSA-N,,,,,,,,,,,
100.073.324,280-680-5,83742-07-8,"1,3-dioxacyclopentadecan-2-one","1,3-dioxacyclopentadecan-2-one",O=C1OCCCCCCCCCCCCO1,O=C1OCCCCCCCCCCCCO1,InChI=1/C13H24O3/c14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16-13/h1-12H2,C13H24O3,,,,,,WTRBJJXKZUJRBA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.338,280-695-7,83763-11-5,1-(4-piperidinyl)-1H-benzimidazole,1-piperidin-4-yl-1H-benzimidazole,C1CC(CCN1)n2cnc3ccccc23,C1CC(CCN1)n2cnc3ccccc23,"InChI=1/C12H15N3/c1-2-4-12-11(3-1)14-9-15(12)10-5-7-13-8-6-10/h1-4,9-10,13H,5-8H2",C12H15N3,,,,,,QYCKVZZMAXDBHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.339,280-696-2,83763-12-6,"3-phenyl-3-propylpentane-1,5-diol","3-phenyl-3-propylpentane-1,5-diol",CCCC(CCO)(CCO)c1ccccc1,CCCC(CCO)(CCO)c1ccccc1,"InChI=1/C14H22O2/c1-2-8-14(9-11-15,10-12-16)13-6-4-3-5-7-13/h3-7,15-16H,2,8-12H2,1H3",C14H22O2,,,,,,RCNZXFQYVXUHBN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.340,280-697-8,83763-13-7,[4-[(4-chlorophenyl)cyanomethyl]-5-chloro-m-tolyl]ammonium chloride,3-chloro-4-[(4-chlorophenyl)(cyano)methyl]-5-methylanilinium chloride,[Cl-].Cc1cc([NH3+])cc(Cl)c1C(C#N)c2ccc(Cl)cc2,[Cl-].Cc1cc([NH3+])cc(Cl)c1C(C#N)c2ccc(Cl)cc2,"InChI=1/C15H12Cl2N2.ClH/c1-9-6-12(19)7-14(17)15(9)13(8-18)10-2-4-11(16)5-3-10;/h2-7,13H,19H2,1H3;1H",C15H12Cl2N2.ClH,,,,,,ZJPXRKLBZDECKL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.259,250-902-5,32041-58-0,Disodium 4-[(4-chloro-5-ethyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,disodium 4-[(4-chloro-5-ethyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Na+].[Na+].CCc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,[Na+].[Na+].CCc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C19H15ClN2O6S.2Na/c1-2-10-8-15(16(9-14(10)20)29(26,27)28)21-22-17-12-6-4-3-5-11(12)7-13(18(17)23)19(24)25;;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2",C19H15ClN2O6S.2Na,,,,,,RNLHZRYWZXYPAP-UHFFFAOYSA-L,,,,,,,,,,,
100.046.262,250-905-1,32046-64-3,5-[1-methyl-2-(thiazolidin-2-yliden)ethyliden]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{5-[1-methyl-2-(1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",CC(C=C1NCCS1)=C2SC(=S)N(CC(O)=O)C2=O,CC(C=C1NCCS1)=C2SC(=S)N(CC(O)=O)C2=O,"InChI=1/C11H12N2O3S3/c1-6(4-7-12-2-3-18-7)9-10(16)13(5-8(14)15)11(17)19-9/h4,12H,2-3,5H2,1H3,(H,14,15)",C11H12N2O3S3,,,,,,XVUGKIXCNARGQF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.263,250-906-7,32050-78-5,Sodium 2-[(4-hydroxyphenyl)azo]benzoate,sodium 2-[(4-hydroxyphenyl)diazenyl]benzoate,[Na+].Oc2ccc(N=Nc1ccccc1C([O-])=O)cc2,[Na+].Oc2ccc(N=Nc1ccccc1C([O-])=O)cc2,"InChI=1/C13H10N2O3.Na/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18;/h1-8,16H,(H,17,18);/q;+1/p-1",C13H10N2O3.Na,,,,,,YCXJEAJKOCMIQM-UHFFFAOYSA-M,,,,,,,,,,,
100.046.267,250-910-9,32065-66-0,"2-(dimethoxymethyl)quinoxaline 1,4-dioxide","2-(dimethoxymethyl)quinoxaline 1,4-dioxide",COC(OC)c1c[n+]([O-])c2ccccc2[n+]1[O-],COC(OC)c1c[n+]([O-])c2ccccc2[n+]1[O-],"InChI=1/C11H12N2O4/c1-16-11(17-2)10-7-12(14)8-5-3-4-6-9(8)13(10)15/h3-7,11H,1-2H3",C11H12N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16912,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.267,BWTLITYWRKJWIM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.270,250-914-0,32074-56-9,"Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate",5-ethoxy-3-(ethoxycarbonyl)-3-hydroxy-5-oxopentanoic acid,CCOC(=O)CC(O)(CC(=O)O)C(=O)OCC,CCOC(=O)CC(O)(CC(=O)O)C(=O)OCC,"InChI=1/C10H16O7/c1-3-16-8(13)6-10(15,5-7(11)12)9(14)17-4-2/h15H,3-6H2,1-2H3,(H,11,12)",C10H16O7,,,,,,KGYXYKHTHJPEBX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.271,250-915-6,32074-74-1,"Dithiobis[4-(1,1-dimethylpropyl)phenol]","2,2'-disulfanediylbis[4-(1,1-dimethylpropyl)phenol]",CCC(C)(C)c1ccc(O)c(SSc2cc(ccc2O)C(C)(C)CC)c1,CCC(C)(C)c1ccc(O)c(SSc2cc(ccc2O)C(C)(C)CC)c1,"InChI=1/C22H30O2S2/c1-7-21(3,4)15-9-11-17(23)19(13-15)25-26-20-14-16(10-12-18(20)24)22(5,6)8-2/h9-14,23-24H,7-8H2,1-6H3",C22H30O2S2,,,,,,RZAPFEWZXAKCHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.273,250-917-7,32089-69-3,Ethyl[4-formyl-3-methylphenyl][2-hydroxy-3-phenoxypropyl]ammonium carbanilate,N-ethyl-4-formyl-N-(2-hydroxy-3-phenoxypropyl)-3-methylanilinium phenylcarbamate,CC[NH+](CC(O)COc1ccccc1)c2ccc(C=O)c(C)c2.[O-]C(=O)Nc3ccccc3,CC[NH+](CC(O)COc1ccccc1)c2ccc(C=O)c(C)c2.[O-]C(=O)Nc3ccccc3,"InChI=1/C19H23NO3.C7H7NO2/c1-3-20(17-10-9-16(13-21)15(2)11-17)12-18(22)14-23-19-7-5-4-6-8-19;9-7(10)8-6-4-2-1-3-5-6/h4-11,13,18,22H,3,12,14H2,1-2H3;1-5,8H,(H,9,10)",C26H28N2O4,,,,,,DIDVSFQDBHPNOV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.278,250-922-4,32111-91-4,(4-chlorophenyl)methylcyanamide,(4-chlorobenzyl)cyanamide,Clc1ccc(CNC#N)cc1,Clc1ccc(CNC#N)cc1,"InChI=1/C8H7ClN2/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,11H,5H2",C8H7ClN2,,,,,,QTKZRFLGAGOIBT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.291,250-937-6,32161-06-1,N-acetyl-4-piperidone,1-acetylpiperidin-4-one,CC(=O)N1CCC(=O)CC1,CC(=O)N1CCC(=O)CC1,"InChI=1/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3",C7H11NO2,,,,,,NNFOVLFUGLWWCL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.297,250-943-9,32180-75-9,"N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide","N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-2-naphthamide",CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(c1)C(C)(C)CC,"InChI=1/C31H41NO3/c1-7-30(3,4)23-16-18-27(26(21-23)31(5,6)8-2)35-20-12-11-19-32-29(34)25-17-15-22-13-9-10-14-24(22)28(25)33/h9-10,13-18,21,33H,7-8,11-12,19-20H2,1-6H3,(H,32,34)",C31H41NO3,,,,,,DHEJKONKJWLHGP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.298,250-944-4,32180-77-1,"4-[(2-acetylphenyl)azo]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide","4-[(2-acetylphenyl)diazenyl]-N-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-2-naphthamide",CC(=O)c4ccccc4N=Nc1cc(c(O)c2ccccc12)C(=O)NCCCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC,CC(=O)c4ccccc4N=Nc1cc(c(O)c2ccccc12)C(=O)NCCCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC,"InChI=1/C39H47N3O4/c1-8-38(4,5)27-20-21-35(32(24-27)39(6,7)9-2)46-23-15-14-22-40-37(45)31-25-34(29-17-10-11-18-30(29)36(31)44)42-41-33-19-13-12-16-28(33)26(3)43/h10-13,16-21,24-25,44H,8-9,14-15,22-23H2,1-7H3,(H,40,45)",C39H47N3O4,,,,,,KONWYIUWNVFTHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.300,250-947-0,32190-96-8,2-(methylamino)hydroquinone hydrobromide,"2-(methylamino)benzene-1,4-diol hydrobromide",Br.CNc1cc(O)ccc1O,Br.CNc1cc(O)ccc1O,"InChI=1/C7H9NO2.BrH/c1-8-6-4-5(9)2-3-7(6)10;/h2-4,8-10H,1H3;1H",C7H9NO2.BrH,,,,,,SOBGIHOHRDUYNY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.203,277-246-2,73040-03-6,Ethyl 6-methyl-1-oxaspiro[2.5]octane-2-carboxylate,ethyl 6-methyl-1-oxaspiro[2.5]octane-2-carboxylate,CCOC(=O)C1OC12CCC(C)CC2,CCOC(=O)C1OC12CCC(C)CC2,"InChI=1/C11H18O3/c1-3-13-10(12)9-11(14-9)6-4-8(2)5-7-11/h8-9H,3-7H2,1-2H3",C11H18O3,,,,,,KAJXXKIXJKJMEG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.252,278-400-1,76247-39-7,"Iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide","iodomethyl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide",CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)OCI,CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)OCI,"InChI=1/C9H12INO5S/c1-9(2)7(8(13)16-4-10)11-5(12)3-6(11)17(9,14)15/h6-7H,3-4H2,1-2H3",C9H12INO5S,,,,,,OLTVXWRKDHZFFR-RQJHMYQMSA-N,,,,,,,,,,,
100.071.425,278-590-6,77001-81-1,"3-[(1-oxoallyl)oxy]-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl 10,16-dioxo-13,13-bis[[(1-oxoallyl)oxy]methyl]-11,15-dioxa-2,9-diazaoctadec-17-enoate","2,2,17,17-tetrakis[(acryloyloxy)methyl]-5,14,20-trioxo-4,15,19-trioxa-6,13-diazadocos-21-en-1-yl acrylate (non-preferred name)",C=CC(=O)OCC(COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,C=CC(=O)OCC(COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C36H48N2O16/c1-7-27(39)47-19-35(20-48-28(40)8-2,21-49-29(41)9-3)25-53-33(45)37-17-15-13-14-16-18-38-34(46)54-26-36(22-50-30(42)10-4,23-51-31(43)11-5)24-52-32(44)12-6/h7-12H,1-6,13-26H2,(H,37,45)(H,38,46)",C36H48N2O16,,,,,,DBGWIQIRISZFSA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.426,278-591-1,77011-74-6,Divinylcyclohexane,"1,1-divinylcyclohexane",C=CC1(CCCCC1)C=C,C=CC1(CCCCC1)C=C,"InChI=1/C10H16/c1-3-10(4-2)8-6-5-7-9-10/h3-4H,1-2,5-9H2",C10H16,,,,,,ZWUBFMWIQJSEQS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.429,278-594-8,77020-84-9,"2-chloro-10-[3-(1H-imidazol-1-yl)propionyl]-10H-phenothiazine 5,5-dioxide monohydrochloride","2-chloro-10-[3-(1H-imidazol-1-yl)propanoyl]-10H-phenothiazine 5,5-dioxide hydrochloride",Cl.Clc1ccc2c(c1)N(C(=O)CCn3ccnc3)c4ccccc4S2(=O)=O,Cl.Clc1ccc2c(c1)N(C(=O)CCn3ccnc3)c4ccccc4S2(=O)=O,"InChI=1/C18H14ClN3O3S.ClH/c19-13-5-6-17-15(11-13)22(18(23)7-9-21-10-8-20-12-21)14-3-1-2-4-16(14)26(17,24)25;/h1-6,8,10-12H,7,9H2;1H",C18H14ClN3O3S.ClH,,,,,,JEYJZINCKIRDQF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.435,278-601-4,77061-58-6,"2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium chloride","2-{[4-(dimethylamino)phenyl]diazenyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium chloride",[Cl-].CN2/C=C\\[NH+](C)C2N=Nc1ccc(cc1)N(C)C,[Cl-].CN2/C=C\[NH+](C)C2N=Nc1ccc(cc1)N(C)C,"InChI=1/C13H19N5.ClH/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;/h5-10,13H,1-4H3;1H",C13H18N5.Cl,,,,,,RNYZWZVSRYOOII-UHFFFAOYSA-N,,,,,,,,,,,
100.071.436,278-603-5,77076-13-2,Sodium 4-(oxophenylacetyl)toluene-a-sulphonate,sodium {4-[oxo(phenyl)acetyl]phenyl}methanesulfonate,[Na+].[O-]S(=O)(=O)Cc1ccc(cc1)C(=O)C(=O)c2ccccc2,[Na+].[O-]S(=O)(=O)Cc1ccc(cc1)C(=O)C(=O)c2ccccc2,"InChI=1/C15H12O5S.Na/c16-14(12-4-2-1-3-5-12)15(17)13-8-6-11(7-9-13)10-21(18,19)20;/h1-9H,10H2,(H,18,19,20);/q;+1/p-1",C15H12O5S.Na,,,,,,OYEBZHRMMBILPE-UHFFFAOYSA-M,,,,,,,,,,,
100.071.439,278-606-1,77084-52-7,Ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate,ethyl 7-methyl-9-oxo-9H-thioxanthene-3-carboxylate,CCOC(=O)c1ccc2C(=O)c3cc(C)ccc3Sc2c1,CCOC(=O)c1ccc2C(=O)c3cc(C)ccc3Sc2c1,"InChI=1/C17H14O3S/c1-3-20-17(19)11-5-6-12-15(9-11)21-14-7-4-10(2)8-13(14)16(12)18/h4-9H,3H2,1-2H3",C17H14O3S,,,,,,RUTWJXNBRUVCAF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.445,278-612-4,77085-65-5,(Z)-5-tridecylidenefuran-2(5H)-one,5-tridecylidenefuran-2(5H)-one,CCCCCCCCCCCC\\C=C\\1/OC(=O)C=C1,CCCCCCCCCCCC\C=C\1/OC(=O)C=C1,"InChI=1/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h13-15H,2-12H2,1H3",C17H28O2,,,,,,UQSPNCHPSSEQIM-SSZFMOIBSA-N,,,,,,,,,,,
100.071.449,278-617-1,77093-20-0,"2-[[4-chloro-6-[[8-hydroxy-3,6-disulpho-7-[(2-sulphophenyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid","2-{[4-chloro-6-({8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}-5-sulfobenzoic acid",Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc4ccc(cc4C(O)=O)S(O)(=O)=O)n5,Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc4ccc(cc4C(O)=O)S(O)(=O)=O)n5,"InChI=1/C26H18ClN7O15S4/c27-24-30-25(28-15-6-5-12(50(38,39)40)9-14(15)23(36)37)32-26(31-24)29-17-10-13(51(41,42)43)7-11-8-19(53(47,48)49)21(22(35)20(11)17)34-33-16-3-1-2-4-18(16)52(44,45)46/h1-10,35H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,28,29,30,31,32)",C26H18ClN7O15S4,,,,,,NYBKROPZNMIFME-UHFFFAOYSA-N,,,,,,,,,,,
100.071.459,278-628-1,77129-48-7,"7,11-dimethyl-3-methylenedodeca-1,6,10-triene","7,11-dimethyl-3-methylenedodeca-1,6,10-triene",C=CC(=C)CCC=C(C)CC\\C=C(/C)C,C=CC(=C)CCC=C(C)CC\C=C(/C)C,"InChI=1/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3",C15H24,,,,,,JSNRRGGBADWTMC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.274,258-620-4,53542-48-6,9-(3-chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene,9-(3-chloropropyl)-6-fluoro-2-(trifluoromethyl)-9H-thioxanthene,Fc1ccc2C(CCCCl)c3cc(ccc3Sc2c1)C(F)(F)F,Fc1ccc2C(CCCCl)c3cc(ccc3Sc2c1)C(F)(F)F,"InChI=1/C17H13ClF4S/c18-7-1-2-12-13-5-4-11(19)9-16(13)23-15-6-3-10(8-14(12)15)17(20,21)22/h3-6,8-9,12H,1-2,7H2",C17H13ClF4S,,,,,,BRWGHNMSDBLZLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.282,258-629-3,53563-63-6,Glycerol dimyristate,"3-hydroxypropane-1,2-diyl ditetradecanoate",CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC,"InChI=1/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3",C31H60O5,,,,,,JFBCSFJKETUREV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.283,258-630-9,53566-35-1,Disodium 4-hydroxyisophthalate,disodium 4-hydroxyisophthalate,[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])C(=O)[O-],[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])C(=O)[O-],"InChI=1/C8H6O5.2Na/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;;/h1-3,9H,(H,10,11)(H,12,13);;/q;2*+1/p-2",C8H6O5.2Na,,,,,,FGFGVXRFSPUXLY-UHFFFAOYSA-L,,,,,,,,,,,
100.053.291,258-639-8,53580-47-5,"2,2-dimethyldisilane-1,1,1,2-tetrayl tetraacetate","1,1-dimethyldisilane-1,2,2,2-tetrayl tetraacetate",CC(=O)O[Si](C)(C)[Si](OC(=O)C)(OC(=O)C)OC(=O)C,CC(=O)O[Si](C)(C)[Si](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1/C10H18O8Si2/c1-7(11)15-19(5,6)20(16-8(2)12,17-9(3)13)18-10(4)14/h1-6H3",C10H18O8Si2,,,,,,VIGICEBBPOJZRH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.802,258-101-2,52685-95-7,Hydrogen 2-[2-methyl-3-[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]prop-1-enyl]-3-(3-sulphonatopropyl)benzoselenazolium,"hydrogen 3-[2-{2-methyl-3-[3-(3-sulfonatopropyl)-1,3-benzoselenazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzoselenazol-3(2H)-yl]propane-1-sulfonate",[H+].[O-]S(=O)(=O)CCC[n+]3c4ccccc4[se]c3C=C(C)C=C2[Se]c1ccccc1N2CCCS([O-])(=O)=O,[H+].[O-]S(=O)(=O)CCC[n+]3c4ccccc4[se]c3C=C(C)C=C2[Se]c1ccccc1N2CCCS([O-])(=O)=O,-,C24H26N2O6S2Se2,,,,,,KRRAXFDCPBHIDG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.804,258-103-3,52687-98-6,Dipropyl tetrasulphide,dipropyltetrasulfane,CCCSSSSCCC,CCCSSSSCCC,"InChI=1/C6H14S4/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3",C6H14S4,,,,,,GJKGKILUTIBVOI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.808,258-108-0,52694-50-5,3-(chloromethyl)-1-methylpiperidine,3-(chloromethyl)-1-methylpiperidine,CN1CCCC(CCl)C1,CN1CCCC(CCl)C1,"InChI=1/C7H14ClN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3",C7H14ClN,,,,,,FFOIFAAVWJZLFE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.815,258-115-9,52704-31-1,"5-oxo-L-proline, compound with N-(2-hydroxyethyl)-N-methylguanidine (1:1)",5-oxo-L-proline - 1-(2-hydroxyethyl)-1-methylguanidine (1:1),CN(CCO)C(=N)N.OC(=O)[C@@H]1CCC(=O)N1,CN(CCO)C(=N)N.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C4H11N3O/c7-4-2-1-3(6-4)5(8)9;1-7(2-3-8)4(5)6/h3H,1-2H2,(H,6,7)(H,8,9);8H,2-3H2,1H3,(H3,5,6)",C5H7NO3.C4H11N3O,,,,,,PNPHWDMUGQABKL-DFWYDOINSA-N,,,,,,,,,,,
100.052.819,258-120-6,52709-84-9,"4'-octyl[1,1'-biphenyl]-4-carbonitrile",4'-octylbiphenyl-4-carbonitrile,CCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3",C21H25N,,,,,,CSQPODPWWMOTIY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.823,258-124-8,52715-93-2,N-DL-methionyl-DL-methionine,L-methionyl-L-methionine,CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)O,CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C10H20N2O3S2/c1-16-5-3-7(11)9(13)12-8(10(14)15)4-6-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)",C10H20N2O3S2,,,,,,ZYTPOUNUXRBYGW-YUMQZZPRSA-N,,,,,,,,,,,
100.052.825,258-126-9,52718-49-7,"Ethyl 3,7,12-trioxo-5ßcholan-24-oate","ethyl 3,7,12-trioxocholan-24-oate",CCOC(=O)CCC(C)C1CCC2C3C(CC(=O)C12C)C4(C)CCC(=O)CC4CC3=O,CCOC(=O)CCC(C)C1CCC2C3C(CC(=O)C12C)C4(C)CCC(=O)CC4CC3=O,"InChI=1/C26H38O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-16,18-20,24H,5-14H2,1-4H3",C26H38O5,,,,,,JOLKBUSRBZYZEH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.830,258-132-1,52722-86-8,"4-hydroxy-2,2,6,6-tetramethylpiperidine-1-ethanol","1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol",CC1(C)CC(O)CC(C)(C)N1CCO,CC1(C)CC(O)CC(C)(C)N1CCO,"InChI=1/C11H23NO2/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13/h9,13-14H,5-8H2,1-4H3",C11H23NO2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13887,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.830,STEYNUVPFMIUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.834,258-136-3,52729-03-0,"2,4-dichloro-3,5-dinitrobenzoic acid","2,4-dichloro-3,5-dinitrobenzoic acid",OC(=O)c1cc(c(Cl)c(c1Cl)[N+](=O)[O-])[N+](=O)[O-],OC(=O)c1cc(c(Cl)c(c1Cl)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H2Cl2N2O6/c8-4-2(7(12)13)1-3(10(14)15)5(9)6(4)11(16)17/h1H,(H,12,13)",C7H2Cl2N2O6,,,,,,OCJYCLPVZHBZRL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.645,254-629-2,39780-54-6,"17,21-dihydroxy-16ß-methylpregna-4,9(11)-diene-3,20-dione 21-benzoate","17-hydroxy-16-methyl-3,20-dioxopregna-4,9(11)-dien-21-yl benzoate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccccc5,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccccc5,"InChI=1/C29H34O5/c1-18-15-24-22-10-9-20-16-21(30)11-13-27(20,2)23(22)12-14-28(24,3)29(18,33)25(31)17-34-26(32)19-7-5-4-6-8-19/h4-8,12,16,18,22,24,33H,9-11,13-15,17H2,1-3H3",C29H34O5,,,,,,KYCCZIHTLYZNFV-SCKJBXJSSA-N,,,,,,,,,,,
100.071.255,278-403-8,76252-06-7,"1,2,3,4-tetrahydro-8-[2-hydroxy-3-(isopropylamino)propoxy]-1-(3-pyridylcarbonyl)quinoline","1-(isopropylamino)-3-{[1-(pyridin-3-ylcarbonyl)-1,2,3,4-tetrahydroquinolin-8-yl]oxy}propan-2-ol",CC(C)NCC(O)COc1cccc2CCCN(C(=O)c3cccnc3)c12,CC(C)NCC(O)COc1cccc2CCCN(C(=O)c3cccnc3)c12,"InChI=1/C21H27N3O3/c1-15(2)23-13-18(25)14-27-19-9-3-6-16-8-5-11-24(20(16)19)21(26)17-7-4-10-22-12-17/h3-4,6-7,9-10,12,15,18,23,25H,5,8,11,13-14H2,1-2H3",C21H27N3O3,,,,,,AUIHHZBJBKRDIE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.261,278-410-6,76268-89-8,Magnesium galactarate,"magnesium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Mg+2].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],[Mg+2].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],"InChI=1/C6H10O8.Mg/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2",C6H10O8.Mg,,,,,,BHUHZIVZTZACBR-UEXKISHTSA-L,,,,,,,,,,,
100.071.263,278-412-7,76283-09-5,4-bromo-1-(bromomethyl)-2-fluorobenzene,4-bromo-1-(bromomethyl)-2-fluorobenzene,Fc1cc(Br)ccc1CBr,Fc1cc(Br)ccc1CBr,"InChI=1/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2",C7H5Br2F,,,,,,XMHNLZXYPAULDF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.265,278-414-8,76293-13-5,"2,4-dimethylthioxanthen-9-one","2,4-dimethyl-9H-thioxanthen-9-one",Cc1cc(C)c2Sc3ccccc3C(=O)c2c1,Cc1cc(C)c2Sc3ccccc3C(=O)c2c1,"InChI=1/C15H12OS/c1-9-7-10(2)15-12(8-9)14(16)11-5-3-4-6-13(11)17-15/h3-8H,1-2H3",C15H12OS,,,,,,LCHAFMWSFCONOO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.276,278-426-3,76350-50-0,"Potassium (2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","potassium 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",[K+].CC1(C)S[C@H]2N([C@H]1C(=O)[O-])C(=O)C2(Br)Br,[K+].CC1(C)S[C@H]2N([C@H]1C(=O)[O-])C(=O)C2(Br)Br,"InChI=1/C8H9Br2NO3S.K/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7;/h3,6H,1-2H3,(H,12,13);/q;+1/p-1",C8H9Br2NO3S.K,,,,,,IFQWUAUPSQWLSP-KQRLMAEXSA-M,,,,,,,,,,,
100.071.281,278-432-6,76386-11-3,Dec-1-enylsuccinic acid,2-dec-1-en-1-ylsuccinic acid,OC(=O)C(C=CCCCCCCCC)CC(O)=O,OC(=O)C(C=CCCCCCCCC)CC(O)=O,"InChI=1/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h9-10,12H,2-8,11H2,1H3,(H,15,16)(H,17,18)",C14H24O4,,,,,,HLOQHECIPXZHSX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.283,278-434-7,76397-85-8,"2,3-dihydro-6,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one","6,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one",COc1ccc(cc1)C2COc3cc(O)c(O)cc3C2=O,COc1ccc(cc1)C2COc3cc(O)c(O)cc3C2=O,"InChI=1/C16H14O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3",C16H14O5,,,,,,PZSNGTWDLWGBMP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.286,278-437-3,76408-54-3,2-[[4-(phenylazo)benzyl]sulphonyl]ethyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate,2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate,CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,"InChI=1/C26H34N4O7S2/c1-19(31)27-18-38-16-23(28-25(33)37-26(2,3)4)24(32)36-14-15-39(34,35)17-20-10-12-22(13-11-20)30-29-21-8-6-5-7-9-21/h5-13,23H,14-18H2,1-4H3,(H,27,31)(H,28,33)",C26H34N4O7S2,,,,,,LVJIZLBZMJXZPU-QHCPKHFHSA-N,,,,,,,,,,,
100.071.288,278-439-4,76408-56-5,2-[[4-(phenylazo)benzyl]sulphonyl]ethyl S-(acetamidomethyl)-N-[N-(tert-butoxycarbonyl)-L-seryl]-L-cysteinate,2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N-(tert-butoxycarbonyl)-L-seryl-S-(acetamidomethyl)-L-cysteinate,CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,"InChI=1/C29H39N5O9S2/c1-20(36)30-19-44-17-25(31-26(37)24(16-35)32-28(39)43-29(2,3)4)27(38)42-14-15-45(40,41)18-21-10-12-23(13-11-21)34-33-22-8-6-5-7-9-22/h5-13,24-25,35H,14-19H2,1-4H3,(H,30,36)(H,31,37)(H,32,39)",C29H39N5O9S2,,,,,,FUIQPFOXKWIACS-DQEYMECFSA-N,,,,,,,,,,,
100.071.469,278-639-1,77203-01-1,"(1,1-dimethylethoxy)cyclododecane",tert-butoxycyclododecane,CC(C)(C)OC1CCCCCCCCCCC1,CC(C)(C)OC1CCCCCCCCCCC1,"InChI=1/C16H32O/c1-16(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14-15/h15H,4-14H2,1-3H3",C16H32O,,,,,,PXFNXDHMFIJJCU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.481,278-652-2,77264-80-3,4-aminophenyl dimethylsulphamate,4-aminophenyl dimethylsulfamate,CN(C)S(=O)(=O)Oc1ccc(N)cc1,CN(C)S(=O)(=O)Oc1ccc(N)cc1,"InChI=1/C8H12N2O3S/c1-10(2)14(11,12)13-8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3",C8H12N2O3S,,,,,,JBPPQVHLEGWBTG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.482,278-653-8,77265-63-5,Sodium (R)-2-chloropropionate,sodium 2-chloropropanoate,[Na+].C[C@@H](Cl)C(=O)[O-],[Na+].C[C@@H](Cl)C(=O)[O-],"InChI=1/C3H5ClO2.Na/c1-2(4)3(5)6;/h2H,1H3,(H,5,6);/q;+1/p-1",C3H5ClO2.Na,,,,,,RPOHBMAQTOJHKM-HSHFZTNMSA-M,,,,,,,,,,,
100.071.490,278-662-7,77337-70-3,Sodium 3-(acetylamino)propanesulphonate,sodium 3-acetamidopropane-1-sulfonate,[Na+].CC(=O)NCCCS(=O)(=O)[O-],[Na+].CC(=O)NCCCS(=O)(=O)[O-],"InChI=1/C5H11NO4S.Na/c1-5(7)6-3-2-4-11(8,9)10;/h2-4H2,1H3,(H,6,7)(H,8,9,10);/q;+1/p-1",C5H11NO4S.Na,,,,,,XJLMLOAYGUOMDM-UHFFFAOYSA-M,,,,,,,,,,,
100.070.219,277-264-0,73067-73-9,"N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]-1,5-pentanediyl]bisoctanamide",N-[6-{[3-(dimethylamino)propyl]amino}-5-(octanoylamino)-6-oxohexyl]octanamide,CCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC)C(=O)NCCCN(C)C,CCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC)C(=O)NCCCN(C)C,"InChI=1/C27H54N4O3/c1-5-7-9-11-13-19-25(32)28-21-16-15-18-24(27(34)29-22-17-23-31(3)4)30-26(33)20-14-12-10-8-6-2/h24H,5-23H2,1-4H3,(H,28,32)(H,29,34)(H,30,33)",C27H54N4O3,,,,,,QFTXUGHGFWWFJE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.220,277-265-6,73067-74-0,"N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]bis(octanamide) monohydrochloride",N-[6-{[3-(dimethylamino)propyl]amino}-5-(octanoylamino)-6-oxohexyl]octanamide hydrochloride,Cl.CCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC)C(=O)NCCCN(C)C,Cl.CCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC)C(=O)NCCCN(C)C,"InChI=1/C27H54N4O3.ClH/c1-5-7-9-11-13-19-25(32)28-21-16-15-18-24(27(34)29-22-17-23-31(3)4)30-26(33)20-14-12-10-8-6-2;/h24H,5-23H2,1-4H3,(H,28,32)(H,29,34)(H,30,33);1H",C27H54N4O3.ClH,,,,,,LLTOATIIELGAGD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.228,277-274-5,73070-48-1,"Phosphoric acid, 2-ethylhexyl ester, compd. with 2,2'-iminobis[ethanol]","2-ethylhexyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCC(CC)COP(=O)(O)O.OCCNCCO,CCCCC(CC)COP(=O)(O)O.OCCNCCO,"InChI=1/C8H19O4P.C4H11NO2/c1-3-5-6-8(4-2)7-12-13(9,10)11;6-3-1-5-2-4-7/h8H,3-7H2,1-2H3,(H2,9,10,11);5-7H,1-4H2",-,,,,,,AMQKEJDPYCXDMK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.230,277-276-6,73072-14-7,"N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]bishexadecan-1-amide",N-[6-{[3-(dimethylamino)propyl]amino}-6-oxo-5-(palmitoylamino)hexyl]hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCCCCCC)C(=O)NCCCN(C)C,CCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCCCCCC)C(=O)NCCCN(C)C,"InChI=1/C43H86N4O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35-41(48)44-37-32-31-34-40(43(50)45-38-33-39-47(3)4)46-42(49)36-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h40H,5-39H2,1-4H3,(H,44,48)(H,45,50)(H,46,49)",C43H86N4O3,,,,,,BPDJDLMEVGMDLH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.233,277-279-2,73086-01-8,(S)-nicotine citrate,"3-(1-methylpyrrolidin-2-yl)pyridine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CN1CCC[C@H]1c2cccnc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN1CCC[C@H]1c2cccnc2.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C10H14N2.C6H8O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C10H14N2.xC6H8O7,,,,,,SDVKWBNZJFWIMO-PPHPATTJSA-N,,,,,,,,,,,
100.070.236,277-282-9,73094-40-3,"(-)-1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazolium nitrate","3-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-ium nitrate",[O-][N+](=O)[O-].Clc1ccc(COC(C[n+]2cc[nH]c2)c3ccc(Cl)cc3Cl)cc1,[O-][N+](=O)[O-].Clc1ccc(COC(C[n+]2cc[nH]c2)c3ccc(Cl)cc3Cl)cc1,"InChI=1/C18H15Cl3N2O.NO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;/q;-1/p+1",C18H15Cl3N2O.HNO3,,,,,,OKHLIYJAUVITMY-UHFFFAOYSA-O,,,,,,,,,,,
100.070.237,277-283-4,73097-95-7,"N-[5-[[4-chloro-6-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-1,3,5-triazin-2-yl]amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-[5-({4-chloro-6-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-1,3,5-triazin-2-yl}amino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide",Clc1nc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)nc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)n1,Clc1nc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)nc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)n1,"InChI=1/C38H21ClN6O5/c39-36-43-37(41-26-17-6-13-22-28(26)32(47)21-12-5-4-11-20(21)31(22)46)45-38(44-36)42-27-18-8-15-24-30(27)34(49)23-14-7-16-25(29(23)33(24)48)40-35(50)19-9-2-1-3-10-19/h1-18H,(H,40,50)(H2,41,42,43,44,45)",C38H21ClN6O5,,,,,,KLZXJKYQYQZHKA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.341,257-594-1,52005-46-6,Dichlorophthalic anhydride,"4,5-dichloro-2-benzofuran-1,3-dione",Clc1ccc2C(=O)OC(=O)c2c1Cl,Clc1ccc2C(=O)OC(=O)c2c1Cl,InChI=1/C8H2Cl2O3/c9-4-2-1-3-5(6(4)10)8(12)13-7(3)11/h1-2H,C8H2Cl2O3,,,,,,GAIPRQZXSYSCRD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.344,257-597-8,52005-98-8,4-(hydroxypropyl)piperidine-1-ethanol,1-[1-(2-hydroxyethyl)piperidin-4-yl]propan-1-ol,CCC(O)C1CCN(CCO)CC1,CCC(O)C1CCN(CCO)CC1,"InChI=1/C10H21NO2/c1-2-10(13)9-3-5-11(6-4-9)7-8-12/h9-10,12-13H,2-8H2,1H3",C10H21NO2,,,,,,HVUYIBHJWBQRRD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.350,257-603-9,52012-13-2,"1,2-Ethanediol, phosphate",2-hydroxyethyl phosphate,OCCOP(=O)([O-])[O-],OCCOP(=O)([O-])[O-],"InChI=1/C2H7O5P/c3-1-2-7-8(4,5)6/h3H,1-2H2,(H2,4,5,6)/p-2",-,,,,,,PCIBVZXUNDZWRL-UHFFFAOYSA-L,,,,,,,,,,,
100.052.360,257-614-9,52025-39-5,"N2-ethylpyridine-2,5-diamine","N~2~-ethylpyridine-2,5-diamine",CCNc1ccc(N)cn1,CCNc1ccc(N)cn1,"InChI=1/C7H11N3/c1-2-9-7-4-3-6(8)5-10-7/h3-5H,2,8H2,1H3,(H,9,10)",C7H11N3,,,,,,SIFUZPJRTJXWBE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.323,280-678-4,83733-25-9,"Tetrasodium 7-[[4-[[4-[(4-hydroxyphenyl)azo]-2-methylphenyl]azo]-7-sulphonato-1-naphthyl]azo]naphthalene-1,3,5-trisulphonate","tetrasodium 7-{[4-({4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].[Na+].Oc6ccc(N=Nc5cc(C)c(N=Nc4ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O)cc5)cc6,[Na+].[Na+].[Na+].[Na+].Oc6ccc(N=Nc5cc(C)c(N=Nc4ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O)cc5)cc6,"InChI=1/C33H24N6O13S4.4Na/c1-18-12-20(35-34-19-2-5-22(40)6-3-19)4-9-29(18)37-39-30-10-11-31(26-15-23(53(41,42)43)7-8-25(26)30)38-36-21-13-27-28(32(14-21)55(47,48)49)16-24(54(44,45)46)17-33(27)56(50,51)52;;;;/h2-17,40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4",C33H24N6O13S4.4Na,,,,,,SLTSROQJIFQPTE-UHFFFAOYSA-J,,,,,,,,,,,
100.073.325,280-681-0,83742-16-9,"N,N'-[[6-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)","N,N'-({6-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-1,3,5-triazine-2,4-diyl}bis[imino(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)])dibenzamide",O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cccc9C(=O)c%10c(NC(=O)c%11ccccc%11)cccc%10C(=O)c89)n4)cccc3C(=O)c12)c%12ccccc%12,O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cccc9C(=O)c%10c(NC(=O)c%11ccccc%11)cccc%10C(=O)c89)n4)cccc3C(=O)c12)c%12ccccc%12,"InChI=1/C59H34N8O8/c68-49-32-18-7-8-19-33(32)50(69)44-34(49)20-9-27-41(44)62-57-65-58(63-42-28-12-23-37-47(42)53(72)35-21-10-25-39(45(35)51(37)70)60-55(74)30-14-3-1-4-15-30)67-59(66-57)64-43-29-13-24-38-48(43)54(73)36-22-11-26-40(46(36)52(38)71)61-56(75)31-16-5-2-6-17-31/h1-29H,(H,60,74)(H,61,75)(H3,62,63,64,65,66,67)",C59H34N8O8,,,,,,UOGNJNFMFDMUEH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.334,280-691-5,83757-53-3,"10-bromo-6-[[4-chloro-6-[(9,10-dihydro-9,10-dioxoanthryl)amino]-1,3,5-triazin-2-yl]amino]naphth[2,3-c]acridine-5,8,14(13H)-trione","10-bromo-6-({4-chloro-6-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-1,3,5-triazin-2-yl}amino)naphtho[2,3-c]acridine-5,8,14(13H)-trione",Clc1nc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)nc(Nc5cc6C(=O)c7cc(Br)ccc7Nc6c8C(=O)c9ccccc9C(=O)c58)n1,Clc1nc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)nc(Nc5cc6C(=O)c7cc(Br)ccc7Nc6c8C(=O)c9ccccc9C(=O)c58)n1,"InChI=1/C38H18BrClN6O5/c39-16-12-13-24-22(14-16)32(48)23-15-26(28-29(30(23)41-24)35(51)20-9-4-3-8-19(20)34(28)50)43-38-45-36(40)44-37(46-38)42-25-11-5-10-21-27(25)33(49)18-7-2-1-6-17(18)31(21)47/h1-15H,(H,41,48)(H2,42,43,44,45,46)",C38H18BrClN6O5,,,,,,WWOLYFUZLUSGFY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.336,280-693-6,83763-09-1,"Methyl 2,3-dihydro-3-phenyl-2-thioxo-1H-imidazole-4-carboxylate","methyl 3-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate",COC(=O)C1=CNC(=S)N1c2ccccc2,COC(=O)C1=CNC(=S)N1c2ccccc2,"InChI=1/C11H10N2O2S/c1-15-10(14)9-7-12-11(16)13(9)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,16)",C11H10N2O2S,,,,,,LBAHSLRQMFWHLF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.341,280-698-3,83763-14-8,[4-[cyano(m-tolyl)methyl]phenyl]ammonium chloride,4-[cyano(3-methylphenyl)methyl]anilinium chloride,[Cl-].Cc1cccc(c1)C(C#N)c2ccc([NH3+])cc2,[Cl-].Cc1cccc(c1)C(C#N)c2ccc([NH3+])cc2,"InChI=1/C15H14N2.ClH/c1-11-3-2-4-13(9-11)15(10-16)12-5-7-14(17)8-6-12;/h2-9,15H,17H2,1H3;1H",C15H14N2.ClH,,,,,,RZROBHPYGMSPAH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.344,280-701-8,83763-17-1,2-[[4-(tert-butyl)chlorophenyl]methylene]-4-chlorobutyraldehyde,2-(4-tert-butyl-2-chlorobenzylidene)-4-chlorobutanal,Clc1cc(ccc1C=C(C=O)CCCl)C(C)(C)C,Clc1cc(ccc1C=C(C=O)CCCl)C(C)(C)C,"InChI=1/C15H18Cl2O/c1-15(2,3)13-5-4-12(14(17)9-13)8-11(10-18)6-7-16/h4-5,8-10H,6-7H2,1-3H3",C15H18Cl2O,,,,,,HDVACZKUDFXXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.346,280-703-9,83763-20-6,2-iodoethyl myristate,2-iodoethyl myristate,CCCCCCCCCCCCCC(=O)OCCI,CCCCCCCCCCCCCC(=O)OCCI,"InChI=1/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3",C16H31IO2,,,,,,HTORKFYAKCXIKR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.348,280-706-5,83763-22-8,[1-(2-aminoethyl)piperidin-4-yl] (4-fluorophenyl) ketone,[1-(2-aminoethyl)piperidin-4-yl](4-fluorophenyl)methanone,NCCN1CCC(CC1)C(=O)c2ccc(F)cc2,NCCN1CCC(CC1)C(=O)c2ccc(F)cc2,"InChI=1/C14H19FN2O/c15-13-3-1-11(2-4-13)14(18)12-5-8-17(9-6-12)10-7-16/h1-4,12H,5-10,16H2",C14H19FN2O,,,,,,VWLIPIMEJFEFNR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.259,278-408-5,76260-93-0,Lithium ethyl fumarate,lithium 4-ethoxy-4-oxobut-2-enoate,[Li+].CCOC(=O)\\C=C\\C(=O)[O-],[Li+].CCOC(=O)\C=C\C(=O)[O-],"InChI=1/C6H8O4.Li/c1-2-10-6(9)4-3-5(7)8;/h3-4H,2H2,1H3,(H,7,8);/q;+1/p-1",C6H8O4.Li,,,,,,GJCZWAFTBMHEPF-BJILWQEISA-M,,,,,,,,,,,
100.071.260,278-409-0,76261-45-5,"5,6,7-trichlorobenzo[b]thiophene-3-ol","5,6,7-trichloro-1-benzothiophene-3-ol",Oc1csc2c(Cl)c(Cl)c(Cl)cc12,Oc1csc2c(Cl)c(Cl)c(Cl)cc12,"InChI=1/C8H3Cl3OS/c9-4-1-3-5(12)2-13-8(3)7(11)6(4)10/h1-2,12H",C8H3Cl3OS,,,,,,RNKRITYZKXPFGM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.266,278-415-3,76293-69-1,Oxacyclopentadec-11-en-2-one,oxacyclopentadec-11-en-2-one,O=C1CCCCCCCC\\C=C\\CCCO1,O=C1CCCCCCCC\C=C\CCCO1,"InChI=1/C14H24O2/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-14/h5,7H,1-4,6,8-13H2",C14H24O2,,,,,,YCLVXFHZYKOPCC-FNORWQNLSA-N,,,,,,,,,,,
100.071.267,278-416-9,76311-89-2,3-bromofuran-2(5H)-one,3-bromofuran-2(5H)-one,BrC1=CCOC1=O,BrC1=CCOC1=O,"InChI=1/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2",C4H3BrO2,,,,,,QSYHSDNIQZDYGF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.270,278-420-0,76315-50-9,2-amino-N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]benzamide,2-amino-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}benzamide,Nc1ccccc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(F)cc3,Nc1ccccc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(F)cc3,"InChI=1/C21H24FN3O2/c22-17-7-5-15(6-8-17)20(26)16-9-12-25(13-10-16)14-11-24-21(27)18-3-1-2-4-19(18)23/h1-8,16H,9-14,23H2,(H,24,27)",C21H24FN3O2,,,,,,XFPZFCWGIZKSNI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.647,254-631-3,39787-83-2,2-methoxy-4-nitrobenzoyl chloride,2-methoxy-4-nitrobenzoyl chloride,COc1cc(ccc1C(=O)Cl)[N+](=O)[O-],COc1cc(ccc1C(=O)Cl)[N+](=O)[O-],"InChI=1/C8H6ClNO4/c1-14-7-4-5(10(12)13)2-3-6(7)8(9)11/h2-4H,1H3",C8H6ClNO4,,,,,,DJDAPLBWGIXUAG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.650,254-635-5,39795-76-1,N-(2-cyanoethyl)-3-oxobutyramide,N-(2-cyanoethyl)-3-oxobutanamide,CC(=O)CC(=O)NCCC#N,CC(=O)CC(=O)NCCC#N,"InChI=1/C7H10N2O2/c1-6(10)5-7(11)9-4-2-3-8/h2,4-5H2,1H3,(H,9,11)",C7H10N2O2,,,,,,IEEFRSBGHYKNOM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.656,254-641-8,39817-09-9,"2,2'-[methylenebis(phenyleneoxymethylene)]bisoxirane","2,2'-[methylenebis(2,1-phenyleneoxymethylene)]dioxirane",C(Oc1ccccc1Cc2ccccc2OCC3CO3)C4CO4,C(Oc1ccccc1Cc2ccccc2OCC3CO3)C4CO4,"InChI=1/C19H20O4/c1-3-7-18(22-12-16-10-20-16)14(5-1)9-15-6-2-4-8-19(15)23-13-17-11-21-17/h1-8,16-17H,9-13H2",C19H20O4,,,,,,FIJSKXFJFGTBRV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.659,254-644-4,39825-23-5,Bisorcic,"N~2~,N~5~-diacetyl-L-ornithine",CC(=O)NCCC[C@H](NC(=O)C)C(=O)O,CC(=O)NCCC[C@H](NC(=O)C)C(=O)O,"InChI=1/C9H16N2O4/c1-6(12)10-5-3-4-8(9(14)15)11-7(2)13/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)",C9H16N2O4,,,,,,XUYANFPPYJSBPU-QMMMGPOBSA-N,,,,,,,,,,,
100.049.660,254-646-5,39825-72-4,Titanium(4+) 2-aminoethanolate,titanium(4+) tetrakis(2-aminoethanolate),[Ti+4].NCC[O-].NCC[O-].NCC[O-].NCC[O-],[Ti+4].NCC[O-].NCC[O-].NCC[O-].NCC[O-],InChI=1/4C2H6NO.Ti/c4*3-1-2-4;/h4*1-3H2;/q4*-1;+4,C2H7NO.1/4Ti,,,,,,MNWXPTQHWVTCKD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.664,254-650-7,39840-30-7,2-(dimethylamino)ethyl stearate,2-(dimethylamino)ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCN(C)C,CCCCCCCCCCCCCCCCCC(=O)OCCN(C)C,"InChI=1/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23(2)3/h4-21H2,1-3H3",C22H45NO2,,,,,,SXIOLYXSOHUULZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.670,254-657-5,39850-93-6,"2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate","6-isopropylidene-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate",CC1CC(OC(=O)C)C=C2CCC(=C(C)C)CC12C,CC1CC(OC(=O)C)C=C2CCC(=C(C)C)CC12C,"InChI=1/C17H26O2/c1-11(2)14-6-7-15-9-16(19-13(4)18)8-12(3)17(15,5)10-14/h9,12,16H,6-8,10H2,1-5H3",C17H26O2,,,,,,OTKMURHLJITZEE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.671,254-658-0,39856-52-5,"N5,N5-dimethylpyridine-2,5-diamine","N~5~,N~5~-dimethylpyridine-2,5-diamine",CN(C)c1ccc(N)nc1,CN(C)c1ccc(N)nc1,"InChI=1/C7H11N3/c1-10(2)6-3-4-7(8)9-5-6/h3-5H,1-2H3,(H2,8,9)",C7H11N3,,,,,,OLYQLAFJZQNFCK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.675,254-662-2,39865-35-5,Tris[(3-ethyl-3-oxetanyl)methyl] phosphite,tris[(3-ethyloxetan-3-yl)methyl] phosphite,CCC1(COP(OCC2(CC)COC2)OCC3(CC)COC3)COC1,CCC1(COP(OCC2(CC)COC2)OCC3(CC)COC3)COC1,"InChI=1/C18H33O6P/c1-4-16(7-19-8-16)13-22-25(23-14-17(5-2)9-20-10-17)24-15-18(6-3)11-21-12-18/h4-15H2,1-3H3",C18H33O6P,,,,,,GILSVABNEXQUBY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.677,254-664-3,39874-62-9,"2-(hydroxymethyl)-2-[(oleoyloxy)methyl]-1,3-propanediyl dioleate","3-hydroxy-2,2-bis[(oleoyloxy)methyl]propyl octadec-9-enoate (non-preferred name)",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCC\\C=C/CCCCCCCC)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C59H108O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)64-53-59(52-60,54-65-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-66-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,60H,4-24,31-55H2,1-3H3",C59H108O7,,,,,,WOMIGYWYSKWGFG-IUPFWZBJSA-N,,,,,,,,,,,
100.049.358,254-313-4,39138-90-4,o-(p-nitrophenoxy)phenol,2-(4-nitrophenoxy)phenol,Oc1ccccc1Oc2ccc(cc2)[N+](=O)[O-],Oc1ccccc1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C12H9NO4/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h1-8,14H",C12H9NO4,,,,,,DWENVBLWYBNNSF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.361,254-317-6,39145-48-7,"1,4-dichloro-2-(4-nitrophenoxy)benzene","1,4-dichloro-2-(4-nitrophenoxy)benzene",[O-][N+](=O)c1ccc(Oc2cc(Cl)ccc2Cl)cc1,[O-][N+](=O)c1ccc(Oc2cc(Cl)ccc2Cl)cc1,InChI=1/C12H7Cl2NO3/c13-8-1-6-11(14)12(7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H,C12H7Cl2NO3,,,,,,UKGBFXVWMSJQQW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.371,254-328-6,39163-92-3,1-hydroxy-N-[2-(tetradecyloxy)phenyl]naphthalene-2-carboxamide,1-hydroxy-N-[2-(tetradecyloxy)phenyl]-2-naphthamide,CCCCCCCCCCCCCCOc1ccccc1NC(=O)c2ccc3ccccc3c2O,CCCCCCCCCCCCCCOc1ccccc1NC(=O)c2ccc3ccccc3c2O,"InChI=1/C31H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-35-29-21-16-15-20-28(29)32-31(34)27-23-22-25-18-13-14-19-26(25)30(27)33/h13-16,18-23,33H,2-12,17,24H2,1H3,(H,32,34)",C31H41NO3,,,,,,PDNBNYWQDIQNLS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.885,255-993-5,42902-52-3,"3-m-toluidinopropane-1,2-diol","3-[(3-methylphenyl)amino]propane-1,2-diol",Cc1cccc(NCC(O)CO)c1,Cc1cccc(NCC(O)CO)c1,"InChI=1/C10H15NO2/c1-8-3-2-4-9(5-8)11-6-10(13)7-12/h2-5,10-13H,6-7H2,1H3",C10H15NO2,,,,,,JODOBYDEHOMWRX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.499,278-672-1,77352-28-4,(ethoxymethyl)cyclododecane,(ethoxymethyl)cyclododecane,CCOCC1CCCCCCCCCCC1,CCOCC1CCCCCCCCCCC1,"InChI=1/C15H30O/c1-2-16-14-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3",C15H30O,,,,,,OGYDYKGQVKCZED-UHFFFAOYSA-N,,,,,,,,,,,
100.073.365,280-724-3,83763-39-7,Potassium 3-nitrosulphanilate,potassium 4-amino-3-nitrobenzenesulfonate,[K+].Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-],[K+].Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H6N2O5S.K/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1",C6H6N2O5S.K,,,,,,KTGZCCQVKKTLJY-UHFFFAOYSA-M,,,,,,,,,,,
100.073.368,280-728-5,83763-42-2,"Disodium 4-hydroxy-5-[(phenylsulphonyl)amino]naphthalene-2,7-disulphonate","disodium 4-hydroxy-5-[(phenylsulfonyl)amino]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc1cc(cc2cc(cc(NS(=O)(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cc(cc(NS(=O)(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H13NO9S3.2Na/c18-15-9-13(29(24,25)26)7-10-6-12(28(21,22)23)8-14(16(10)15)17-27(19,20)11-4-2-1-3-5-11;;/h1-9,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C16H13NO9S3.2Na,,,,,,OKMVORVXDDPPRA-UHFFFAOYSA-L,,,,,,,,,,,
100.073.369,280-729-0,83763-43-3,N-[2-hydroxy-5-[(methylamino)sulphonyl]phenyl]acetamide,N-[2-hydroxy-5-(methylsulfamoyl)phenyl]acetamide,CNS(=O)(=O)c1ccc(O)c(NC(=O)C)c1,CNS(=O)(=O)c1ccc(O)c(NC(=O)C)c1,"InChI=1/C9H12N2O4S/c1-6(12)11-8-5-7(3-4-9(8)13)16(14,15)10-2/h3-5,10,13H,1-2H3,(H,11,12)",C9H12N2O4S,,,,,,DQXPHNSMSRYBCV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.371,280-731-1,83763-45-5,"Sodium hydrogen 2-amino-5-hydroxynaphthalene-1,7-disulphonate","sodium hydrogen 2-amino-5-hydroxynaphthalene-1,7-disulfonate",[Na+].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.Na/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H9NO7S2.Na,,,,,,IRLXVIPGFBNBKE-UHFFFAOYSA-L,,,,,,,,,,,
100.075.006,282-533-0,84254-87-5,(E)-cinnamyl 2-methylisocrotonate,3-phenylprop-2-en-1-yl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OC\\C=C\\c1ccccc1,C\C=C(\C)/C(=O)OC\C=C\c1ccccc1,"InChI=1/C14H16O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3",C14H16O2,,,,,,KRNURAJANZKGQN-QVSSJFJDSA-N,,,,,,,,,,,
100.075.007,282-534-6,84254-88-6,"(E)-3,7-dimethyl-2,6-octadienyl 2-methylisocrotonate","3,7-dimethylocta-2,6-dien-1-yl 2-methylbut-2-enoate",C\\C=C(\\C)/C(=O)OC\\C=C(/C)\\CCC=C(C)C,C\C=C(\C)/C(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3",C15H24O2,,,,,,OGHBUHJLMHQMHS-NHXYFRIFSA-N,,,,,,,,,,,
100.075.010,282-537-2,84254-91-1,"3',4'-dimethoxy-2-(isopropylamino)butyrophenone","1-(3,4-dimethoxyphenyl)-2-(isopropylamino)butan-1-one",CCC(NC(C)C)C(=O)c1ccc(OC)c(OC)c1,CCC(NC(C)C)C(=O)c1ccc(OC)c(OC)c1,"InChI=1/C15H23NO3/c1-6-12(16-10(2)3)15(17)11-7-8-13(18-4)14(9-11)19-5/h7-10,12,16H,6H2,1-5H3",C15H23NO3,,,,,,GFERGFJYQBZYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.012,282-539-3,84254-93-3,"2,4-dichloro-6-methoxyanilinium chloride","2,4-dichloro-6-methoxyanilinium chloride",[Cl-].COc1cc(Cl)cc(Cl)c1[NH3+],[Cl-].COc1cc(Cl)cc(Cl)c1[NH3+],"InChI=1/C7H7Cl2NO.ClH/c1-11-6-3-4(8)2-5(9)7(6)10;/h2-3H,10H2,1H3;1H",C7H7Cl2NO.ClH,,,,,,UPNRYPFDYAGGHH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.014,282-541-4,84254-95-5,"3-ethyl-1,6,7,11b-tetrahydro-9,10-dimethoxy-4H-benzo[a]quinolizine-2-acetic acid","(3-ethyl-9,10-dimethoxy-1,6,7,11b-tetrahydro-4H-pyrido[2,1-a]isoquinolin-2-yl)acetic acid",CCC1=C(CC(=O)O)CC2N(CCc3cc(OC)c(OC)cc23)C1,CCC1=C(CC(=O)O)CC2N(CCc3cc(OC)c(OC)cc23)C1,"InChI=1/C19H25NO4/c1-4-12-11-20-6-5-13-8-17(23-2)18(24-3)10-15(13)16(20)7-14(12)9-19(21)22/h8,10,16H,4-7,9,11H2,1-3H3,(H,21,22)",C19H25NO4,,,,,,MRYCPUFOGFAHTC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.015,282-543-5,84254-96-6,Dipropyl silicate,oxo(dipropoxy)silane,CCCO[Si](=O)OCCC,CCCO[Si](=O)OCCC,"InChI=1/C6H14O3Si/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3",C6H16O4Si,,,,,,IXWYAUCTGSCECC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.294,278-446-2,76408-66-7,2-[[[4-(phenylazo)phenyl]methyl]sulphonyl]ethyl S-(acetamidomethyl)-N-[N-[N-[N-[N-(tert-butoxycarbonyl)-L-threonyl]-3-phenyl-L-alanyl]-L-threonyl]-L-seryl]-L-cysteinate,2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N-(tert-butoxycarbonyl)-D-threonylphenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate,CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3,CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C46H62N8O14S2/c1-28(56)38(51-40(59)35(23-31-13-9-7-10-14-31)48-43(62)39(29(2)57)52-45(64)68-46(4,5)6)42(61)49-36(24-55)41(60)50-37(25-69-27-47-30(3)58)44(63)67-21-22-70(65,66)26-32-17-19-34(20-18-32)54-53-33-15-11-8-12-16-33/h7-20,28-29,35-39,55-57H,21-27H2,1-6H3,(H,47,58)(H,48,62)(H,49,61)(H,50,60)(H,51,59)(H,52,64)",C46H62N8O14S2,,,,,,KUOQIHTXLWEQFX-CPILGWCCSA-N,,,,,,,,,,,
100.071.316,278-470-3,76461-14-8,"2,4,6-tribromophenyl propionate","2,4,6-tribromophenyl propionate",CCC(=O)Oc1c(Br)cc(Br)cc1Br,CCC(=O)Oc1c(Br)cc(Br)cc1Br,"InChI=1/C9H7Br3O2/c1-2-8(13)14-9-6(11)3-5(10)4-7(9)12/h3-4H,2H2,1H3",C9H7Br3O2,,,,,,AYPLUWLTDGVVIR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.361,257-615-4,52026-59-2,"p-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl]oxy]-N-[3-(triethoxysilyl)propyl]benzenesulphonamide","4-{[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-en-1-yl]oxy}-N-[3-(triethoxysilyl)propyl]benzenesulfonamide",FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S(=O)(=O)NCCC[Si](OCC)(OCC)OCC)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S(=O)(=O)NCCC[Si](OCC)(OCC)OCC)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C25H26F19NO6SSi/c1-4-48-53(49-5-2,50-6-3)13-7-12-45-52(46,47)15-10-8-14(9-11-15)51-17(20(29,30)31)16(19(26,27)28)18(23(36,37)38,21(32,33)24(39,40)41)22(34,35)25(42,43)44/h8-11,45H,4-7,12-13H2,1-3H3",C25H26F19NO6SSi,,,,,,APCMQGJPMGNODQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.362,257-617-5,52027-23-3,"2,2',2''-nitrilotris[N-(2-hydroxyethyl)acetamide]","2,2',2''-nitrilotris[N-(2-hydroxyethyl)acetamide]",OCCNC(=O)CN(CC(=O)NCCO)CC(=O)NCCO,OCCNC(=O)CN(CC(=O)NCCO)CC(=O)NCCO,"InChI=1/C12H24N4O6/c17-4-1-13-10(20)7-16(8-11(21)14-2-5-18)9-12(22)15-3-6-19/h17-19H,1-9H2,(H,13,20)(H,14,21)(H,15,22)",C12H24N4O6,,,,,,BCHUJYSTAWRRKO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.370,257-625-9,52048-31-4,"N,N-diethyl-4-(thiazol-2-ylazo)aniline","N,N-diethyl-4-(1,3-thiazol-2-yldiazenyl)aniline",CCN(CC)c1ccc(cc1)N=Nc2nccs2,CCN(CC)c1ccc(cc1)N=Nc2nccs2,"InChI=1/C13H16N4S/c1-3-17(4-2)12-7-5-11(6-8-12)15-16-13-14-9-10-18-13/h5-10H,3-4H2,1-2H3",C13H16N4S,,,,,,CPQZFVALGRYOJM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.374,257-630-6,52061-73-1,Valdipromide,"2,2-dipropylpentanamide",CCCC(CCC)(CCC)C(=O)N,CCCC(CCC)(CCC)C(=O)N,"InChI=1/C11H23NO/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-9H2,1-3H3,(H2,12,13)",C11H23NO,,,,,,ACBLZFZDCOGNHD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.882,259-290-4,54675-76-2,Manganese abietate,"manganese(2+) diabieta-7,13-dien-18-oate",[Mn].OC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC\\C(=C/C3=C/C[C@@H]12)C(C)C,[Mn].OC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC\C(=C/C3=C/C[C@@H]12)C(C)C,"InChI=1/C20H30O2.Mn/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+2",C20H30O2.xMn,,,,,,DRGBBTFISSFVST-XTICBAGASA-N,,,,,,,,,,,
100.070.998,278-121-5,75199-22-3,"1,13-dihydroxy-3,7,11-tris(2-hydroxyethyl)-3,7,11-trimethyl-15-oxa-3,7,11-triazoniaheptacosane trisulphate","1,13-dihydroxy-3,7,11-tris(2-hydroxyethyl)-3,7,11-trimethyl-15-oxa-3,7,11-triazoniaheptacosane trisulphate",[O-]S(=O)(=O)[O-].OCC[N+](C)(CCO)CCC[N+](C)(CCO)CCC[N+](C)(CCO)CC(O)COCCCCCCCCCCCC.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,[O-]S(=O)(=O)[O-].OCC[N+](C)(CCO)CCC[N+](C)(CCO)CCC[N+](C)(CCO)CC(O)COCCCCCCCCCCCC.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1/2C32H72N3O6.3H2O4S/c2*1-5-6-7-8-9-10-11-12-13-14-29-41-31-32(40)30-35(4,24-28-39)20-16-18-33(2,21-25-36)17-15-19-34(3,22-26-37)23-27-38;3*1-5(2,3)4/h2*32,36-40H,5-31H2,1-4H3;3*(H2,1,2,3,4)/q2*+3;;;/p-6",C32H72N3O6.3CH3O4S,,,,,,WZWXGOKEZHRHLI-UHFFFAOYSA-H,,,,,,,,,,,
100.072.652,279-941-6,82364-22-5,"1,3-dibutyl-1,1,3,3-tetrafluorodistannoxane","1,3-dibutyl-1,1,3,3-tetrafluorodistannoxane",CCCC[Sn](F)(F)O[Sn](F)(F)CCCC,CCCC[Sn](F)(F)O[Sn](F)(F)CCCC,"InChI=1/2C4H9.4FH.O.2Sn/c2*1-3-4-2;;;;;;;/h2*1,3-4H2,2H3;4*1H;;;/q;;;;;;;2*+2/p-4/rC8H18F4OSn2/c1-3-5-7-14(9,10)13-15(11,12)8-6-4-2/h3-8H2,1-2H3",C8H18F4OSn2,,,,,,GLSQYQGGJBKZEE-UHFFFAOYSA-J,,,,,,,,,,,
100.046.306,250-953-3,32208-45-0,Methyl 3ß-hydroxyurs-12-en-28-oate,methyl 3-hydroxyurs-12-en-28-oate,COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2,COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2,"InChI=1/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3",C31H50O3,,,,,,YCBSMEKEDOHEQI-QHQGJMPNSA-N,,,,,,,,,,,
100.046.307,250-954-9,32210-23-4,4-tert-butylcyclohexyl acetate,4-tert-butylcyclohexyl acetate,CC(=O)OC1CCC(CC1)C(C)(C)C,CC(=O)OC1CCC(CC1)C(C)(C)C,"InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3",C12H22O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15158,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.307,MBZRJSQZCBXRGK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.313,250-961-7,32220-82-9,"1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis[3-acetyl-4-aminoanthraquinone]","1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis(3-acetyl-4-amino-9,10-anthraquinone)",CC(=O)c1cc(Nc2nc(Nc3cc(C(=O)C)c(N)c4C(=O)c5ccccc5C(=O)c34)nc(n2)c6ccccc6)c7C(=O)c8ccccc8C(=O)c7c1N,CC(=O)c1cc(Nc2nc(Nc3cc(C(=O)C)c(N)c4C(=O)c5ccccc5C(=O)c34)nc(n2)c6ccccc6)c7C(=O)c8ccccc8C(=O)c7c1N,"InChI=1/C41H27N7O6/c1-18(49)25-16-27(29-31(33(25)42)37(53)23-14-8-6-12-21(23)35(29)51)44-40-46-39(20-10-4-3-5-11-20)47-41(48-40)45-28-17-26(19(2)50)34(43)32-30(28)36(52)22-13-7-9-15-24(22)38(32)54/h3-17H,42-43H2,1-2H3,(H2,44,45,46,47,48)",C41H27N7O6,,,,,,QHUKBYLVVVMGRT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.314,250-962-2,32221-00-4,Sodium aminoiminomethanesulphinate,sodium amino(imino)methanesulfinate,[Na+].NC(=N)S(=O)[O-],[Na+].NC(=N)S(=O)[O-],"InChI=1/CH4N2O2S.Na/c2-1(3)6(4)5;/h(H3,2,3)(H,4,5);/q;+1/p-1",CH4N2O2S.Na,,,,,,LJERCJQEBLEEKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.321,250-970-6,32246-34-7,"3-hydroxy-2,4-dimethoxybenzaldehyde","3-hydroxy-2,4-dimethoxybenzaldehyde",COc1ccc(C=O)c(OC)c1O,COc1ccc(C=O)c(OC)c1O,"InChI=1/C9H10O4/c1-12-7-4-3-6(5-10)9(13-2)8(7)11/h3-5,11H,1-2H3",C9H10O4,,,,,,COBXDAOIDYGHGK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.324,250-973-2,32253-75-1,N-(4-bromo-2-carboxyphenyl)glycine,5-bromo-2-[(carboxymethyl)amino]benzoic acid,OC(=O)CNc1ccc(Br)cc1C(=O)O,OC(=O)CNc1ccc(Br)cc1C(=O)O,"InChI=1/C9H8BrNO4/c10-5-1-2-7(11-4-8(12)13)6(3-5)9(14)15/h1-3,11H,4H2,(H,12,13)(H,14,15)",C9H8BrNO4,,,,,,NGTZRRAYYJFRDA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.273,278-423-7,76333-71-6,Ethyl (S)-(3-methyl-4-oxo-5-piperidin-1-ylthiazolidin-2-ylidene)acetate,"ethyl (3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate",CN1C(=O)[C@H](SC1=CC(=O)OCC)N2CCCCC2,CN1C(=O)[C@H](SC1=CC(=O)OCC)N2CCCCC2,"InChI=1/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3",C13H20N2O3S,,,,,,ZCKKHYXUQFTBIK-ZDUSSCGKSA-N,,,,,,,,,,,
100.071.274,278-424-2,76345-76-1,Isopropyl [2-(thiazol-4-yl)-1H-benzimidazol-5-yl]carbamate monohydrochloride,"isopropyl [2-(1,3-thiazol-4-yl)-1H-benzimidazol-5-yl]carbamate hydrochloride",Cl.CC(C)OC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3,Cl.CC(C)OC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3,"InChI=1/C14H14N4O2S.ClH/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12;/h3-8H,1-2H3,(H,16,19)(H,17,18);1H",C14H14N4O2S.ClH,,,,,,KHOHHQHXCWDDFA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.287,278-438-9,76408-55-4,2-[[4-(phenylazo)benzyl]sulphonyl]ethyl S-(acetamidomethyl)-L-cysteinate monohydrochloride,2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N-(acetamidomethyl)-L-cysteinate hydrochloride,Cl.CC(=O)NCN[C@@H](CS)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,Cl.CC(=O)NCN[C@@H](CS)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,"InChI=1/C21H26N4O5S2.ClH/c1-16(26)22-15-23-20(13-31)21(27)30-11-12-32(28,29)14-17-7-9-19(10-8-17)25-24-18-5-3-2-4-6-18;/h2-10,20,23,31H,11-15H2,1H3,(H,22,26);1H",C21H26N4O5S2.ClH,,,,,,QHKJHCKGIRTXPT-BDQAORGHSA-N,,,,,,,,,,,
100.071.290,278-442-0,76408-60-1,2-[[[4-(phenylazo)phenyl]methyl]sulphonyl]ethyl S-(acetamidomethyl)-N-[N-[N-(tert-butoxycarbonyl)-L-threonyl]-L-seryl]-L-cysteinate,2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N-(tert-butoxycarbonyl)threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate,CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,"InChI=1/C33H46N6O11S2/c1-21(41)28(37-32(46)50-33(3,4)5)30(44)35-26(17-40)29(43)36-27(18-51-20-34-22(2)42)31(45)49-15-16-52(47,48)19-23-11-13-25(14-12-23)39-38-24-9-7-6-8-10-24/h6-14,21,26-28,40-41H,15-20H2,1-5H3,(H,34,42)(H,35,44)(H,36,43)(H,37,46)",C33H46N6O11S2,,,,,,NLLCZLHRHHXWPP-QFIULHBOSA-N,,,,,,,,,,,
100.071.463,278-632-3,77154-18-8,"2-furanylmethyl 4-[(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl)azo]benzoate","2-furylmethyl 4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoate",O=C(OCc1ccco1)c3ccc(N=NC=2/C(/C)=C(/C#N)C(=O)N(CCCC)C=2O)cc3,O=C(OCc1ccco1)c3ccc(N=NC=2/C(/C)=C(/C#N)C(=O)N(CCCC)C=2O)cc3,"InChI=1/C23H22N4O5/c1-3-4-11-27-21(28)19(13-24)15(2)20(22(27)29)26-25-17-9-7-16(8-10-17)23(30)32-14-18-6-5-12-31-18/h5-10,12,29H,3-4,11,14H2,1-2H3",C23H22N4O5,,,,,,WDNKKPQJSOBJHL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.466,278-636-5,77182-82-2,Ammonium 2-amino-4-(hydroxymethylphosphinyl)butyrate,ammonium 2-amino-4-[hydroxy(methyl)phosphoryl]butanoate,[NH4+].CP(=O)(O)CCC(N)C(=O)[O-],[NH4+].CP(=O)(O)CCC(N)C(=O)[O-],"InChI=1/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3",C5H12NO4P.H3N,,,,,,ZBMRKNMTMPPMMK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.477,278-648-0,77253-52-2,"2,2'-(methylimino)bisethyl bis(phenylcarbamate)","(methylimino)diethane-2,1-diyl bis(phenylcarbamate)",CN(CCOC(=O)Nc1ccccc1)CCOC(=O)Nc2ccccc2,CN(CCOC(=O)Nc1ccccc1)CCOC(=O)Nc2ccccc2,"InChI=1/C19H23N3O4/c1-22(12-14-25-18(23)20-16-8-4-2-5-9-16)13-15-26-19(24)21-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,20,23)(H,21,24)",C19H23N3O4,,,,,,QAELNKAIYQBRDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.488,278-660-6,77297-00-8,"N,N-diethylguanidinium sulphate (2:1)",bis(N-carbamimidoyl-N-ethylethanaminium) sulfate,CC[NH+](CC)C(=N)N.CC[NH+](CC)C(=N)N.[O-]S(=O)(=O)[O-],CC[NH+](CC)C(=N)N.CC[NH+](CC)C(=N)N.[O-]S(=O)(=O)[O-],"InChI=1/2C5H13N3.H2O4S/c2*1-3-8(4-2)5(6)7;1-5(2,3)4/h2*3-4H2,1-2H3,(H3,6,7);(H2,1,2,3,4)",C5H13N3.1/2H2O4S,,,,,,VZAFCEFGYOMBML-UHFFFAOYSA-N,,,,,,,,,,,
100.071.492,278-664-8,77337-72-5,Lithium 3-(acetylamino)propanesulphonate,lithium 3-acetamidopropane-1-sulfonate,[Li+].CC(=O)NCCCS(=O)(=O)[O-],[Li+].CC(=O)NCCCS(=O)(=O)[O-],"InChI=1/C5H11NO4S.Li/c1-5(7)6-3-2-4-11(8,9)10;/h2-4H2,1H3,(H,6,7)(H,8,9,10);/q;+1/p-1",C5H11NO4S.Li,,,,,,RCDJYPMTAULDAE-UHFFFAOYSA-M,,,,,,,,,,,
100.071.496,278-669-5,77337-82-7,2-bromo-5-nitroanisole,1-bromo-2-methoxy-4-nitrobenzene,COc1cc(ccc1Br)[N+](=O)[O-],COc1cc(ccc1Br)[N+](=O)[O-],"InChI=1/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3",C7H6BrNO3,,,,,,NTKADLOYTKVXQN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.497,278-670-0,77344-61-7,"1-[2,4-bis(1-methylethyl)phenyl]ethan-1-one","1-(2,4-diisopropylphenyl)ethanone",CC(C)c1ccc(C(=O)C)c(c1)C(C)C,CC(C)c1ccc(C(=O)C)c(c1)C(C)C,"InChI=1/C14H20O/c1-9(2)12-6-7-13(11(5)15)14(8-12)10(3)4/h6-10H,1-5H3",C14H20O,,,,,,XOPUXCIYHBVIAW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.125,280-460-9,83487-98-3,"4-chloro-3-nitro-N-(2,4,5-trichlorophenyl)benzamide","4-chloro-3-nitro-N-(2,4,5-trichlorophenyl)benzamide",[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc2cc(Cl)c(Cl)cc2Cl,[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc2cc(Cl)c(Cl)cc2Cl,"InChI=1/C13H6Cl4N2O3/c14-7-2-1-6(3-12(7)19(21)22)13(20)18-11-5-9(16)8(15)4-10(11)17/h1-5H,(H,18,20)",C13H6Cl4N2O3,,,,,,CMOOHRSXPUWGIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.126,280-461-4,83487-99-4,"2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diacetamide","2,2'-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)diacetamide",NC(=O)CC1=C(Cl)C(=O)C(=C(Cl)C1=O)CC(=O)N,NC(=O)CC1=C(Cl)C(=O)C(=C(Cl)C1=O)CC(=O)N,"InChI=1/C10H8Cl2N2O4/c11-7-3(1-5(13)15)9(17)8(12)4(10(7)18)2-6(14)16/h1-2H2,(H2,13,15)(H2,14,16)",C10H8Cl2N2O4,,,,,,QCPYFBKRROHRDY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.886,255-994-0,42903-59-3,"Bis[2,2-bis[(2-allyloxy)methyl]butyl] (4-methyl-1,3-phenylene)dicarbamate","bis{2,2-bis[(allyloxy)methyl]butyl} (4-methyl-1,3-phenylene)biscarbamate",CCC(COCC=C)(COCC=C)COC(=O)Nc1ccc(C)c(NC(=O)OCC(CC)(COCC=C)COCC=C)c1,CCC(COCC=C)(COCC=C)COC(=O)Nc1ccc(C)c(NC(=O)OCC(CC)(COCC=C)COCC=C)c1,"InChI=1/C33H50N2O8/c1-8-16-38-21-32(12-5,22-39-17-9-2)25-42-30(36)34-28-15-14-27(7)29(20-28)35-31(37)43-26-33(13-6,23-40-18-10-3)24-41-19-11-4/h8-11,14-15,20H,1-4,12-13,16-19,21-26H2,5-7H3,(H,34,36)(H,35,37)",C33H50N2O8,,,,,,UCLJSASYJKYCRD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.895,256-003-4,42926-52-3,2-ethoxybenzoyl chloride,2-ethoxybenzoyl chloride,CCOc1ccccc1C(=O)Cl,CCOc1ccccc1C(=O)Cl,"InChI=1/C9H9ClO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3",C9H9ClO2,,,,,,MDKAAWDKKBFSTK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.897,256-006-0,42933-13-1,"2-methylbutane-1,2,3,4,-tetrol","2-methylbutane-1,2,3,4-tetrol",CC(O)(CO)C(O)CO,CC(O)(CO)C(O)CO,"InChI=1/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3",C5H12O4,,,,,,HGVJFBSSLICXEM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.297,258-646-6,53584-22-8,tert-butylbenzenethiol,2-tert-butylbenzenethiol,CC(C)(C)c1ccccc1S,CC(C)(C)c1ccccc1S,"InChI=1/C10H14S/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3",C10H14S,,,,,,BKMGLHQPYYCKPO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.301,258-650-8,53587-11-4,O-benzyl-L-tyrosine toluene-p-sulphonate,O-benzyltyrosine 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)O.N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O,Cc1ccc(cc1)S(=O)(=O)O.N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O,"InChI=1/C16H17NO3.C7H8O3S/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,15H,10-11,17H2,(H,18,19);2-5H,1H3,(H,8,9,10)",C16H17NO3.C7H8O3S,,,,,,DQABNMISOSHXQS-RSAXXLAASA-N,,,,,,,,,,,
100.053.305,258-655-5,53591-98-3,"2-bromo-4-fluoro-1,1'-biphenyl",2-bromo-4-fluorobiphenyl,Fc1ccc(c(Br)c1)c2ccccc2,Fc1ccc(c(Br)c1)c2ccccc2,InChI=1/C12H8BrF/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8H,C12H8BrF,,,,,,IGMOABJCVUOIRU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.310,258-660-2,53608-79-0,Tetrapotassium zirconium tetrakis(sulphate),tetrapotassium zirconium tetrakis(sulphate),[K+].[K+].[K+].[K+].[Zr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[K+].[K+].[K+].[K+].[Zr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/4K.4H2O4S.Zr/c;;;;4*1-5(2,3)4;/h;;;;4*(H2,1,2,3,4);/q4*+1;;;;;+2/p-8",H2O4S.K.1/4Zr,,,,,,OLARFPPZKSKRFB-UHFFFAOYSA-F,,,,,,,,,,,
100.053.314,258-664-4,53620-50-1,Triacetoxy(3-chloropropyl)silane,(3-chloropropyl)silanetriyl triacetate,CC(=O)O[Si](CCCCl)(OC(=O)C)OC(=O)C,CC(=O)O[Si](CCCCl)(OC(=O)C)OC(=O)C,"InChI=1/C9H15ClO6Si/c1-7(11)14-17(6-4-5-10,15-8(2)12)16-9(3)13/h4-6H2,1-3H3",C9H15ClO6Si,,,,,,YDVQLGHYJSJBKA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.315,258-666-5,53620-54-5,"N,N'-[ethane-1,2-diylbis(iminoethane-1,2-diyl)]distearamide","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H86N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44H,3-40H2,1-2H3,(H,45,47)(H,46,48)",C42H86N4O2,,,,,,KWLJEKOMAZTKJG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.320,258-671-2,53625-25-5,"(R)-3,4,5,6-tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride","5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride",Cl.CN1CCO[C@H](c2ccccc2)c3ccccc3C1,Cl.CN1CCO[C@H](c2ccccc2)c3ccccc3C1,"InChI=1/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H",C17H19NO.ClH,,,,,,CNNVSINJDJNHQK-UNTBIKODSA-N,,,,,,,,,,,
100.053.321,258-672-8,53627-29-5,"15,15-dimethyl-2,5,8,11,14-pentaoxahexadecane","15,15-dimethyl-2,5,8,11,14-pentaoxahexadecane",COCCOCCOCCOCCOC(C)(C)C,COCCOCCOCCOCCOC(C)(C)C,"InChI=1/C13H28O5/c1-13(2,3)18-12-11-17-10-9-16-8-7-15-6-5-14-4/h5-12H2,1-4H3",C13H28O5,,,,,,JUVLNFFZRNEVSY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.325,258-677-5,53633-35-5,6-methyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one,"6-methyl-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",O=C3c4ccccc4SC3=C2Sc1cc(C)ccc1C2=O,O=C3c4ccccc4SC3=C2Sc1cc(C)ccc1C2=O,"InChI=1/C17H10O2S2/c1-9-6-7-11-13(8-9)21-17(15(11)19)16-14(18)10-4-2-3-5-12(10)20-16/h2-8H,1H3",C17H10O2S2,,,,,,GWJBKRMAUGITRP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.328,258-680-1,53641-60-4,(a-cyanobenzyl)ammonium chloride,cyano(phenyl)methanaminium chloride,[Cl-].[NH3+]C(C#N)c1ccccc1,[Cl-].[NH3+]C(C#N)c1ccccc1,"InChI=1/C8H8N2.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5,8H,10H2;1H",C8H8N2.ClH,,,,,,OGSYCVCLXAFDNE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.329,258-681-7,53643-07-5,"2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthol","6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol",CC1CC(O)C=C2CCC(CC12C)C(=C)C,CC1CC(O)C=C2CCC(CC12C)C(=C)C,"InChI=1/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3",C15H24O,,,,,,GFNWRKNVTHDNPV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.332,258-684-3,53648-31-0,"(S)-3,4,5,6-tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride","5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride",Cl.CN1CCO[C@@H](c2ccccc2)c3ccccc3C1,Cl.CN1CCO[C@@H](c2ccccc2)c3ccccc3C1,"InChI=1/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H",C17H19NO.ClH,,,,,,CNNVSINJDJNHQK-LMOVPXPDSA-N,,,,,,,,,,,
100.071.318,278-472-4,76462-82-3,"5'-deoxy-5-fluorouridine 2',3'-diacetate","2',3'-di-O-acetyl-5'-deoxy-5-fluorouridine",C[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)N2C=C(F)C(=O)NC2=O,C[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)N2C=C(F)C(=O)NC2=O,"InChI=1/C13H15FN2O7/c1-5-9(22-6(2)17)10(23-7(3)18)12(21-5)16-4-8(14)11(19)15-13(16)20/h4-5,9-10,12H,1-3H3,(H,15,19,20)",C13H15FN2O7,,,,,,ONKMZOUZXRFSQO-RPULLILYSA-N,,,,,,,,,,,
100.071.319,278-474-5,76464-67-0,"4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzene-1-sulphonyl azide","4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzenesulfonyl azide",[N-]=[N+]=NS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O,[N-]=[N+]=NS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O,"InChI=1/C10H6N4O4S/c11-12-13-19(17,18)8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6H",C10H6N4O4S,,,,,,YMAGPUHECDCODP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.323,278-478-7,76489-66-2,4-(4-methylpentyl)cyclohexanecarbaldehyde,4-(4-methylpentyl)cyclohexanecarbaldehyde,CC(C)CCCC1CCC(CC1)C=O,CC(C)CCCC1CCC(CC1)C=O,"InChI=1/C13H24O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h10-13H,3-9H2,1-2H3",C13H24O,,,,,,IFDRPWDMFYPZLB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.133,280-469-8,83507-02-2,"6,7,8,9-tetrahydro-7-methyl-5H-dibenz[b,i][1,6]oxazecine","7-methyl-6,7,8,9-tetrahydro-5H-dibenzo[b,i][1,6]oxazecine",CN1CCc2ccccc2Oc3ccccc3CC1,CN1CCc2ccccc2Oc3ccccc3CC1,"InChI=1/C17H19NO/c1-18-12-10-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)11-13-18/h2-9H,10-13H2,1H3",C17H19NO,,,,,,NREYMNFZCFNECP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.145,280-482-9,83562-72-5,"Trisodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4'-[(2,4-diaminophenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(N)cc5N)c(OC)c6,[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(N)cc5N)c(OC)c6,"InChI=1/C36H31N9O12S3.3Na/c1-56-28-13-18(3-10-26(28)42-41-25-12-5-21(37)17-24(25)38)19-4-11-27(29(14-19)57-2)43-44-34-30(59(50,51)52)15-20-16-31(60(53,54)55)35(36(46)32(20)33(34)39)45-40-22-6-8-23(9-7-22)58(47,48)49;;;/h3-17,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C36H31N9O12S3.3Na,,,,,,WADBEEKBJMKMHB-UHFFFAOYSA-K,,,,,,,,,,,
100.073.151,280-489-7,83567-04-8,"Trisodium 7-[[4-chloro-6-[ethyl[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-({4-chloro-6-[ethyl(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CC)c5cccc(c5)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CC)c5cccc(c5)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C30H28ClN7O14S4.3Na/c1-3-38(19-5-4-6-21(15-19)53(40,41)12-11-52-56(48,49)50)30-34-28(31)33-29(35-30)32-18-7-9-22-17(13-18)14-25(55(45,46)47)26(27(22)39)37-36-23-10-8-20(51-2)16-24(23)54(42,43)44;;;/h4-10,13-16,39H,3,11-12H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,32,33,34,35);;;/q;3*+1/p-3",C30H28ClN7O14S4.3Na,,,,,,HBXOOEYXXBERDF-UHFFFAOYSA-K,,,,,,,,,,,
100.073.154,280-492-3,83575-37-5,Benzyl (S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate,benzyl {4-(carbamoylamino)-1-[(4-nitrophenyl)carbamoyl]butyl}carbamate,NC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],NC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C20H23N5O6/c21-19(27)22-12-4-7-17(24-20(28)31-13-14-5-2-1-3-6-14)18(26)23-15-8-10-16(11-9-15)25(29)30/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,23,26)(H,24,28)(H3,21,22,27)",C20H23N5O6,,,,,,HEAHCFJXSKVWFQ-KRWDZBQOSA-N,,,,,,,,,,,
100.073.155,280-493-9,83575-39-7,(S)-2-amino-5-[(aminocarbonyl)amino]-N-(4-nitrophenyl)valeramide monohydrobromide,N~5~-carbamoyl-N-(4-nitrophenyl)-D-ornithinamide hydrobromide,Br.N[C@@H](CCCNC(=O)N)C(=O)Nc1ccc(cc1)[N+](=O)[O-],Br.N[C@@H](CCCNC(=O)N)C(=O)Nc1ccc(cc1)[N+](=O)[O-],"InChI=1/C12H17N5O4.BrH/c13-10(2-1-7-15-12(14)19)11(18)16-8-3-5-9(6-4-8)17(20)21;/h3-6,10H,1-2,7,13H2,(H,16,18)(H3,14,15,19);1H",C12H17N5O4.BrH,,,,,,BUFNVCIQUCWRBR-PPHPATTJSA-N,,,,,,,,,,,
100.073.157,280-496-5,83575-46-6,N-(benzyloxycarbonyl)glycyl-L-prolyl-N5-carbamoyl-N-(4-nitrophenyl)-L-ornithinamide,N-[(benzyloxy)carbonyl]glycyl-L-prolyl-N~5~-carbamoyl-N-(4-nitrophenyl)-L-ornithinamide,NC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2)C(=O)Nc3ccc(cc3)[N+](=O)[O-],NC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2)C(=O)Nc3ccc(cc3)[N+](=O)[O-],"InChI=1/C27H33N7O8/c28-26(38)29-14-4-8-21(24(36)31-19-10-12-20(13-11-19)34(40)41)32-25(37)22-9-5-15-33(22)23(35)16-30-27(39)42-17-18-6-2-1-3-7-18/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,30,39)(H,31,36)(H,32,37)(H3,28,29,38)",C27H33N7O8,,,,,,QCQONFZCKBEQNG-VXKWHMMOSA-N,,,,,,,,,,,
100.073.162,280-501-0,83581-80-0,"1-phenylicosane-1,3-dione, barium salt",-,[Ba+2].CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1,[Ba+2].CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1,"InChI=1/C26H42O2.Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24;/h16-18,20-21H,2-15,19,22-23H2,1H3;/q;+2",C26H41O2.1/2Ba,,,,,,BCCZROHKEAPSGS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.326,250-975-3,32266-60-7,"4-hydroxy-5-[[(2-hydroxyphenyl)methylene]amino]naphthalene-2,7-disulphonic acid","4-hydroxy-5-[(2-hydroxybenzylidene)amino]naphthalene-2,7-disulfonic acid",Oc3ccccc3C=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O,Oc3ccccc3C=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C17H13NO8S2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14/h1-9,19-20H,(H,21,22,23)(H,24,25,26)",C17H13NO8S2,,,,,,DUCCKQSNXPFEGT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.328,250-977-4,32276-75-8,"Copper(2+) 2,2-dimethyloctanoate","copper(2+) bis(2,2-dimethyloctanoate)",[Cu+2].CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-],[Cu+2].CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-],"InChI=1/2C10H20O2.Cu/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Cu,,,,,,OBVXRVXLEWTKNS-UHFFFAOYSA-L,,,,,,,,,,,
100.046.329,250-979-5,32283-92-4,"2,9-bis(3-aminophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(3-aminophenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",Nc1cccc(c1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9cccc(N)c9,Nc1cccc(c1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9cccc(N)c9,"InChI=1/C36H20N4O4/c37-17-3-1-5-19(15-17)39-33(41)25-11-7-21-23-9-13-27-32-28(36(44)40(35(27)43)20-6-2-4-18(38)16-20)14-10-24(30(23)32)22-8-12-26(34(39)42)31(25)29(21)22/h1-16H,37-38H2",C36H20N4O4,,,,,,LBQIBUZDDHLNLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.337,250-987-9,32321-30-5,"Hexamethylbenzene-a1,a4-diamine","(2,3,5,6-tetramethyl-1,4-phenylene)dimethanamine",Cc1c(C)c(CN)c(C)c(C)c1CN,Cc1c(C)c(CN)c(C)c(C)c1CN,"InChI=1/C12H20N2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6,13-14H2,1-4H3",C12H20N2,,,,,,BQBSCHUAHABRME-UHFFFAOYSA-N,,,,,,,,,,,
100.046.339,250-990-5,32326-14-0,N1-(5-methoxyisoxazol-3-yl)sulphanilamide,4-amino-N-(5-methoxyisoxazol-3-yl)benzenesulfonamide,COc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,COc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,"InChI=1/C10H11N3O4S/c1-16-10-6-9(12-17-10)13-18(14,15)8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)",C10H11N3O4S,,,,,,IOMPMWRTYPIHRM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.376,277-437-0,73398-38-6,"Pentasodium 3,3'-[(2,4,6-trimethyl-5-sulphonato-1,3-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(acetylamino)-4,1-phenylene]azo]]bisnaphthalene-1,5-disulphonate","pentasodium 3,3'-{(2,4,6-trimethyl-5-sulfonato-1,3-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-acetamido-4,1-phenylene)diazene-2,1-diyl]}dinaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9cccc1c9cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2NC(C)=O)Nc3nc(nc(Cl)n3)Nc8c(C)c(c(C)c(Nc7nc(Nc6cc(NC(C)=O)c(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6)nc(Cl)n7)c8C)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9cccc1c9cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2NC(C)=O)Nc3nc(nc(Cl)n3)Nc8c(C)c(c(C)c(Nc7nc(Nc6cc(NC(C)=O)c(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6)nc(Cl)n7)c8C)S([O-])(=O)=O,"InChI=1/C51H42Cl2N16O17S5.5Na/c1-22-43(58-50-62-46(52)60-48(64-50)56-27-12-14-35(37(18-27)54-25(4)70)68-66-29-16-33-31(41(20-29)89(78,79)80)8-6-10-39(33)87(72,73)74)23(2)45(91(84,85)86)24(3)44(22)59-51-63-47(53)61-49(65-51)57-28-13-15-36(38(19-28)55-26(5)71)69-67-30-17-34-32(42(21-30)90(81,82)83)9-7-11-40(34)88(75,76)77;;;;;/h6-21H,1-5H3,(H,54,70)(H,55,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;;/q;5*+1/p-5",C51H42Cl2N16O17S5.5Na,,,,,,STUBSYFXAWRMOI-UHFFFAOYSA-I,,,,,,,,,,,
100.070.384,277-445-4,73398-47-7,"Trisodium 8-[[4'-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonate","trisodium 8-({4'-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(N)c6N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(N)c6N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,"InChI=1/C34H27N5O11S3.3Na/c1-17-11-19(4-8-26(17)36-38-33-25(35)7-3-21-13-23(51(42,43)44)15-29(41)31(21)33)20-5-9-27(18(2)12-20)37-39-34-28(40)10-6-22-14-24(52(45,46)47)16-30(32(22)34)53(48,49)50;;;/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",C34H27N5O11S3.3Na,,,,,,JZJJRKGVMAIFNE-UHFFFAOYSA-K,,,,,,,,,,,
100.070.387,277-449-6,73398-51-3,"2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt","tetrasodium 4-hydroxy-5-{[4-({4-[(2-hydroxyethyl)amino]-6-({5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-1,3,5-triazin-2-yl}amino)-5-methoxy-2-methylphenyl]diazenyl}naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc(N=Nc2c(cc1cc(ccc1c2O)Nc3nc(nc(NCCO)n3)Nc6cc(C)c(N=Nc5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)S([O-])(=O)=O)c(OC)cc7,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc(N=Nc2c(cc1cc(ccc1c2O)Nc3nc(nc(NCCO)n3)Nc6cc(C)c(N=Nc5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)S([O-])(=O)=O)c(OC)cc7,"InChI=1/C40H36N10O17S4.4Na/c1-19-10-28(33(67-3)18-27(19)47-49-30-16-24(69(57,58)59)12-21-13-25(70(60,61)62)17-31(52)35(21)30)43-40-45-38(41-8-9-51)44-39(46-40)42-22-4-6-26-20(11-22)14-34(71(63,64)65)36(37(26)53)50-48-29-15-23(68(54,55)56)5-7-32(29)66-2;;;;/h4-7,10-18,51-53H,8-9H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H3,41,42,43,44,45,46);;;;/q;4*+1/p-4",C40H36N10O17S4.4Na,,,,,,PRNSJPKDFLLHNR-UHFFFAOYSA-J,,,,,,,,,,,
100.073.130,280-466-1,83488-03-3,2-amino-6-nitro-4-neopentylphenol,"2-amino-4-(2,2-dimethylpropyl)-6-nitrophenol",CC(C)(C)Cc1cc(N)c(O)c(c1)[N+](=O)[O-],CC(C)(C)Cc1cc(N)c(O)c(c1)[N+](=O)[O-],"InChI=1/C11H16N2O3/c1-11(2,3)6-7-4-8(12)10(14)9(5-7)13(15)16/h4-5,14H,6,12H2,1-3H3",C11H16N2O3,,,,,,NVKBPXZFYMDQOR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.351,280-709-1,83763-25-1,4-tert-butyl-a-cyclopropylbenzyl alcohol,(4-tert-butylphenyl)(cyclopropyl)methanol,CC(C)(C)c1ccc(cc1)C(O)C2CC2,CC(C)(C)c1ccc(cc1)C(O)C2CC2,"InChI=1/C14H20O/c1-14(2,3)12-8-6-11(7-9-12)13(15)10-4-5-10/h6-10,13,15H,4-5H2,1-3H3",C14H20O,,,,,,MWCIRDOGSTYYAM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.353,280-711-2,83763-27-3,Ethyl cis-4-[(2-amino-4-chlorophenyl)amino]-3-hydroxypiperidine-1-carboxylate,ethyl 4-[(2-amino-4-chlorophenyl)amino]-3-hydroxypiperidine-1-carboxylate,CCOC(=O)N1CC[C@@H](Nc2ccc(Cl)cc2N)[C@@H](O)C1,CCOC(=O)N1CC[C@@H](Nc2ccc(Cl)cc2N)[C@@H](O)C1,"InChI=1/C14H20ClN3O3/c1-2-21-14(20)18-6-5-12(13(19)8-18)17-11-4-3-9(15)7-10(11)16/h3-4,7,12-13,17,19H,2,5-6,8,16H2,1H3",C14H20ClN3O3,,,,,,CIUXTSYPIIGKAD-OLZOCXBDSA-N,,,,,,,,,,,
100.073.354,280-712-8,83763-28-4,4-phenyl-4-propylpiperidinium chloride,4-phenyl-4-propylpiperidinium chloride,[Cl-].CCCC1(CC[NH2+]CC1)c2ccccc2,[Cl-].CCCC1(CC[NH2+]CC1)c2ccccc2,"InChI=1/C14H21N.ClH/c1-2-8-14(9-11-15-12-10-14)13-6-4-3-5-7-13;/h3-7,15H,2,8-12H2,1H3;1H",C14H21N.ClH,,,,,,YURLEFLCNSLILF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.356,280-714-9,83763-30-8,4-hydroxy-4-(3-phenylpropyl)piperidinium chloride,4-hydroxy-4-(3-phenylpropyl)piperidinium chloride,[Cl-].OC1(CCCc2ccccc2)CC[NH2+]CC1,[Cl-].OC1(CCCc2ccccc2)CC[NH2+]CC1,"InChI=1/C14H21NO.ClH/c16-14(9-11-15-12-10-14)8-4-7-13-5-2-1-3-6-13;/h1-3,5-6,15-16H,4,7-12H2;1H",C14H21NO.ClH,,,,,,JHZAIYJHRWJBPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.357,280-715-4,83763-31-9,"1-benzyl-4,4-dimethoxypiperidin-3-ol","1-benzyl-4,4-dimethoxypiperidin-3-ol",COC1(CCN(Cc2ccccc2)CC1O)OC,COC1(CCN(Cc2ccccc2)CC1O)OC,"InChI=1/C14H21NO3/c1-17-14(18-2)8-9-15(11-13(14)16)10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3",C14H21NO3,,,,,,ANEFKQJYRFOSON-UHFFFAOYSA-N,,,,,,,,,,,
100.073.363,280-722-2,83763-37-5,Sodium hydrogen 4-sulphonatoanthranilate,sodium hydrogen 2-amino-4-sulfonatobenzoate,[Na+].Nc1cc(ccc1C(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc(ccc1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C7H7NO5S.Na/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10;/h1-3H,8H2,(H,9,10)(H,11,12,13);/q;+1/p-2",C7H7NO5S.Na,,,,,,CFFDZTADOHGTBA-UHFFFAOYSA-L,,,,,,,,,,,
100.073.366,280-725-9,83763-40-0,N-(2-cyanoethyl)-N-ethylanilinium acetate,N-(2-cyanoethyl)-N-ethylanilinium acetate,CC[NH+](CCC#N)c1ccccc1.CC(=O)[O-],CC[NH+](CCC#N)c1ccccc1.CC(=O)[O-],"InChI=1/C11H14N2.C2H4O2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11;1-2(3)4/h3-5,7-8H,2,6,10H2,1H3;1H3,(H,3,4)",C11H14N2.C2H4O2,,,,,,FJJMJXIHBIYLFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.367,280-726-4,83763-41-1,"Sodium hydrogen 4-amino-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonate","sodium hydrogen 4-amino-5-[(phenylsulfonyl)oxy]naphthalene-2,7-disulfonate",[Na+].Nc1cc(cc2cc(cc(OS(=O)(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc(cc2cc(cc(OS(=O)(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H13NO9S3.Na/c17-14-8-12(27(18,19)20)6-10-7-13(28(21,22)23)9-15(16(10)14)26-29(24,25)11-4-2-1-3-5-11;/h1-9H,17H2,(H,18,19,20)(H,21,22,23);/q;+1/p-2",C16H13NO9S3.Na,,,,,,LNJDTRMEGDCEHH-UHFFFAOYSA-L,,,,,,,,,,,
100.073.374,280-734-8,83763-48-8,(3-ammonio-4-methoxyphenyl)(2-hydroxyethyl)ammonium sulphate,"N~1~-(2-hydroxyethyl)-4-methoxybenzene-1,3-diaminium sulfate",COc1ccc([NH2+]CCO)cc1[NH3+].[O-]S(=O)(=O)[O-],COc1ccc([NH2+]CCO)cc1[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/C9H14N2O2.H2O4S/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;1-5(2,3)4/h2-3,6,11-12H,4-5,10H2,1H3;(H2,1,2,3,4)",C9H14N2O2.H2O4S,,,,,,GWHLYFOWAINYAH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.000,282-526-2,84254-81-9,3-methylbut-3-enyl 2-methylbutyrate,3-methylbut-3-en-1-yl 2-methylbutanoate,CCC(C)C(=O)OCCC(=C)C,CCC(C)C(=O)OCCC(=C)C,"InChI=1/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h9H,2,5-7H2,1,3-4H3",C10H18O2,,,,,,LTOLHPXUSLBUHD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.005,282-532-5,84254-86-4,3-methylpentyl hexanoate,3-methylpentyl hexanoate,CCCCCC(=O)OCCC(C)CC,CCCCCC(=O)OCCC(C)CC,"InChI=1/C12H24O2/c1-4-6-7-8-12(13)14-10-9-11(3)5-2/h11H,4-10H2,1-3H3",C12H24O2,,,,,,SAMSOMFUNDLFFI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.008,282-535-1,84254-89-7,"3,7-dimethyl-6-octenyl 2-methylisocrotonate","3,7-dimethyloct-6-en-1-yl 2-methylbut-2-enoate",C\\C=C(\\C)/C(=O)OCCC(C)CCC=C(C)C,C\C=C(\C)/C(=O)OCCC(C)CCC=C(C)C,"InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3",C15H26O2,,,,,,UCFQYMKLDPWFHZ-NSIKDUERSA-N,,,,,,,,,,,
100.053.336,258-689-0,53655-17-7,5-chloro-2-[2-[3-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)ethylidene]-2-(diphenylamino)cyclopent-1-en-1-yl]vinyl]-3-ethylbenzothiazolium perchlorate,"5-chloro-2-(2-{3-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-(diphenylamino)cyclopent-1-en-1-yl}vinyl)-3-ethyl-1,3-benzothiazol-3-ium perchlorate",[O-]Cl(=O)(=O)=O.CC[n+]6c7cc(Cl)ccc7sc6/C=C/C=5CCC(=CC=C2Sc1ccc(Cl)cc1N2CC)C=5N(c3ccccc3)c4ccccc4,[O-]Cl(=O)(=O)=O.CC[n+]6c7cc(Cl)ccc7sc6/C=C/C=5CCC(=CC=C2Sc1ccc(Cl)cc1N2CC)C=5N(c3ccccc3)c4ccccc4,"InChI=1/C39H34Cl2N3S2.ClHO4/c1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32;2-1(3,4)5/h5-14,17-26H,3-4,15-16H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",C39H34Cl2N3S2.ClO4,,,,,,UVLDECUUBLLYRG-UHFFFAOYSA-M,,,,,,,,,,,
100.052.841,258-144-7,52736-14-8,Tris(3-ethylphenyl) phosphate,tris(3-ethylphenyl) phosphate,CCc1cccc(OP(=O)(Oc2cccc(CC)c2)Oc3cccc(CC)c3)c1,CCc1cccc(OP(=O)(Oc2cccc(CC)c2)Oc3cccc(CC)c3)c1,"InChI=1/C24H27O4P/c1-4-19-10-7-13-22(16-19)26-29(25,27-23-14-8-11-20(5-2)17-23)28-24-15-9-12-21(6-3)18-24/h7-18H,4-6H2,1-3H3",C24H27O4P,,,,,,QZWWNNQRBSJVLL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.842,258-145-2,52736-17-1,Aluminium tris(sulphanilate),aluminum tris(4-aminobenzenesulfonate),[Al+3].Nc1ccc(cc1)S(=O)(=O)[O-].Nc2ccc(cc2)S(=O)(=O)[O-].Nc3ccc(cc3)S(=O)(=O)[O-],[Al+3].Nc1ccc(cc1)S(=O)(=O)[O-].Nc2ccc(cc2)S(=O)(=O)[O-].Nc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/3C6H7NO3S.Al/c3*7-5-1-3-6(4-2-5)11(8,9)10;/h3*1-4H,7H2,(H,8,9,10);/q;;;+3/p-3",C6H7NO3S.1/3Al,,,,,,REFMDCPLGSMNGS-UHFFFAOYSA-K,,,,,,,,,,,
100.052.843,258-146-8,52738-99-5,Isooctan-1-al,6-methylheptanal,CC(C)CCCCC=O,CC(C)CCCCC=O,"InChI=1/C8H16O/c1-8(2)6-4-3-5-7-9/h7-8H,3-6H2,1-2H3",C8H16O,,,,,,LCEHKIHBHIJPCD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.846,258-149-4,52741-01-2,"1,4,5,8-tetrakis(phenylthio)anthraquinone","1,4,5,8-tetrakis(phenylsulfanyl)-9,10-anthraquinone",O=C1c2c(Sc3ccccc3)ccc(Sc4ccccc4)c2C(=O)c5c(Sc6ccccc6)ccc(Sc7ccccc7)c15,O=C1c2c(Sc3ccccc3)ccc(Sc4ccccc4)c2C(=O)c5c(Sc6ccccc6)ccc(Sc7ccccc7)c15,InChI=1/C38H24O2S4/c39-37-33-29(41-25-13-5-1-6-14-25)21-22-30(42-26-15-7-2-8-16-26)34(33)38(40)36-32(44-28-19-11-4-12-20-28)24-23-31(35(36)37)43-27-17-9-3-10-18-27/h1-24H,C38H24O2S4,,,,,,WLEIVDIWTWFRLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.848,258-152-0,52746-49-3,"4,7-diphenyl-1,10-phenanthrolinium di(sodiosulphonate)","disodium 4,4'-(1,10-phenanthroline-4,7-diyl)dibenzenesulfonate hydrate",O.[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5ccc(cc5)S(=O)(=O)[O-],O.[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5ccc(cc5)S(=O)(=O)[O-],"InChI=1/C24H16N2O6S2.2Na.H2O/c27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32;;;/h1-14H,(H,27,28,29)(H,30,31,32);;;1H2/q;2*+1;/p-2",C24H16N2O6S2.2Na,,,,,,PFNPMHXHQCVXED-UHFFFAOYSA-L,,,,,,,,,,,
100.052.851,258-155-7,52756-25-9,Methyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-DL-alaninate,methyl N-benzoyl-N-(3-chloro-4-fluorophenyl)alaninate,COC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2,COC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2,"InChI=1/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3",C17H15ClFNO3,,,,,,RBNIGDFIUWJJEV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.853,258-157-8,52762-65-9,"2-[4-(tert-butyl)-2-cyclopentylphenoxy]-N-(3,5-dichloro-2-hydroxy-p-tolyl)propionamide","2-(4-tert-butyl-2-cyclopentylphenoxy)-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide",CC(Oc1ccc(cc1C2CCCC2)C(C)(C)C)C(=O)Nc3cc(Cl)c(C)c(Cl)c3O,CC(Oc1ccc(cc1C2CCCC2)C(C)(C)C)C(=O)Nc3cc(Cl)c(C)c(Cl)c3O,"InChI=1/C25H31Cl2NO3/c1-14-19(26)13-20(23(29)22(14)27)28-24(30)15(2)31-21-11-10-17(25(3,4)5)12-18(21)16-8-6-7-9-16/h10-13,15-16,29H,6-9H2,1-5H3,(H,28,30)",C25H31Cl2NO3,,,,,,PRNQILVHIGSAME-UHFFFAOYSA-N,,,,,,,,,,,
100.052.857,258-162-5,52763-21-0,Ethyl N-benzyl-3-oxopiperidine-4-carboxylate hydrochloride,ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride,Cl.CCOC(=O)C1CCN(Cc2ccccc2)CC1=O,Cl.CCOC(=O)C1CCN(Cc2ccccc2)CC1=O,"InChI=1/C15H19NO3.ClH/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H",C15H19NO3.ClH,,,,,,UQOMEAWPKSISII-UHFFFAOYSA-N,,,,,,,,,,,
100.052.863,258-168-8,52773-66-7,"Benzyl (S)-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-[[4-(benzyloxy)phenyl]methyl]ethyl]carbamate","2,5-dioxopyrrolidin-1-yl O-benzyl-N-[(benzyloxy)carbonyl]-L-tyrosinate",O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)ON3C(=O)CCC3=O)OCc4ccccc4,O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)ON3C(=O)CCC3=O)OCc4ccccc4,"InChI=1/C28H26N2O7/c31-25-15-16-26(32)30(25)37-27(33)24(29-28(34)36-19-22-9-5-2-6-10-22)17-20-11-13-23(14-12-20)35-18-21-7-3-1-4-8-21/h1-14,24H,15-19H2,(H,29,34)",C28H26N2O7,,,,,,YFQGJQWXLNZGIA-DEOSSOPVSA-N,,,,,,,,,,,
100.052.871,258-177-7,52780-14-0,3-bromo-a-methylbenzyl alcohol,1-(3-bromophenyl)ethanol,CC(O)c1cccc(Br)c1,CC(O)c1cccc(Br)c1,"InChI=1/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3",C8H9BrO,,,,,,ULMJQMDYAOJNCC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.872,258-178-2,52786-76-2,Potassium [2-[[(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]methyl]phenyl]acetate,potassium (2-{[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]methyl}phenyl)acetate,[K+].COC(=O)C=C(C)NCc1ccccc1CC([O-])=O,[K+].COC(=O)C=C(C)NCc1ccccc1CC([O-])=O,"InChI=1/C14H17NO4.K/c1-10(7-14(18)19-2)15-9-12-6-4-3-5-11(12)8-13(16)17;/h3-7,15H,8-9H2,1-2H3,(H,16,17);/q;+1/p-1",C14H17NO4.K,,,,,,JYXAWTDHRHNTNK-UHFFFAOYSA-M,,,,,,,,,,,
100.073.168,280-507-3,83592-04-5,p-[[4-[(2-hydroxyethyl)amino]-1-naphthyl]azo]benzenesulphonamide,4-({4-[(2-hydroxyethyl)amino]-1-naphthyl}diazenyl)benzenesulfonamide,NS(=O)(=O)c3ccc(N=Nc1ccc(NCCO)c2ccccc12)cc3,NS(=O)(=O)c3ccc(N=Nc1ccc(NCCO)c2ccccc12)cc3,"InChI=1/C18H18N4O3S/c19-26(24,25)14-7-5-13(6-8-14)21-22-18-10-9-17(20-11-12-23)15-3-1-2-4-16(15)18/h1-10,20,23H,11-12H2,(H2,19,24,25)",C18H18N4O3S,,,,,,HHKJIOMRTXTUEN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.022,282-550-3,84255-03-8,2-(4-fluorophenyl)tetrahydro-2-phenylfuran,2-(4-fluorophenyl)-2-phenyltetrahydrofuran,Fc1ccc(cc1)C2(CCCO2)c3ccccc3,Fc1ccc(cc1)C2(CCCO2)c3ccccc3,"InChI=1/C16H15FO/c17-15-9-7-14(8-10-15)16(11-4-12-18-16)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2",C16H15FO,,,,,,JVNBYUPPDDUHJC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.023,282-551-9,84255-04-9,"4-[3-[[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl](phenylmethyl)amino]-2-hydroxypropoxy]phenylacetamide","2-[4-(3-{benzyl[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]amino}-2-hydroxypropoxy)phenyl]acetamide",NC(=O)Cc1ccc(OCC(O)CN(CCCN2C(=O)Nc3ccccc23)Cc4ccccc4)cc1,NC(=O)Cc1ccc(OCC(O)CN(CCCN2C(=O)Nc3ccccc23)Cc4ccccc4)cc1,"InChI=1/C28H32N4O4/c29-27(34)17-21-11-13-24(14-12-21)36-20-23(33)19-31(18-22-7-2-1-3-8-22)15-6-16-32-26-10-5-4-9-25(26)30-28(32)35/h1-5,7-14,23,33H,6,15-20H2,(H2,29,34)(H,30,35)",C28H32N4O4,,,,,,QCSFBRDXPIUVII-UHFFFAOYSA-N,,,,,,,,,,,
100.075.027,282-556-6,84255-09-4,1-ethyl-4-[(3-ethyl-3H-benzoselenazol-2-ylidene)methyl]quinolinium iodide,"1-ethyl-4-[(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]quinolinium iodide",[I-].CC[n+]4ccc(C=C2[Se]c1ccccc1N2CC)c3ccccc34,[I-].CC[n+]4ccc(C=C2[Se]c1ccccc1N2CC)c3ccccc34,"InChI=1/C21H21N2Se.HI/c1-3-22-14-13-16(17-9-5-6-10-18(17)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",C21H21N2Se.I,,,,,,HPPHBVFVJDGRHH-UHFFFAOYSA-M,,,,,,,,,,,
100.075.029,282-558-7,84255-11-8,"5,5-dimethyl-2-[(4-methyl-3-nitrophenyl)azo]cyclohexane-1,3-dione","5,5-dimethyl-2-[(4-methyl-3-nitrophenyl)diazenyl]cyclohexane-1,3-dione",O=C2CC(C)(C)CC(=O)C2N=Nc1ccc(C)c(c1)[N+]([O-])=O,O=C2CC(C)(C)CC(=O)C2N=Nc1ccc(C)c(c1)[N+]([O-])=O,"InChI=1/C15H17N3O4/c1-9-4-5-10(6-11(9)18(21)22)16-17-14-12(19)7-15(2,3)8-13(14)20/h4-6,14H,7-8H2,1-3H3",C15H17N3O4,,,,,,HZEHEXLYQVLMSV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.030,282-559-2,84255-12-9,"2-[[4-(2,2-dicyanovinyl)phenyl]ethylamino]ethyl benzoate","2-{[4-(2,2-dicyanovinyl)phenyl](ethyl)amino}ethyl benzoate",CCN(CCOC(=O)c1ccccc1)c2ccc(C=C(C#N)C#N)cc2,CCN(CCOC(=O)c1ccccc1)c2ccc(C=C(C#N)C#N)cc2,"InChI=1/C21H19N3O2/c1-2-24(12-13-26-21(25)19-6-4-3-5-7-19)20-10-8-17(9-11-20)14-18(15-22)16-23/h3-11,14H,2,12-13H2,1H3",C21H19N3O2,,,,,,PMUMOWURAMVFIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.037,282-567-6,84255-20-9,5-methyl-2-phenyl-1H-imidazole-4-carbodithioic acid,4-methyl-2-phenyl-1H-imidazole-5-carbodithioic acid,Cc1nc([nH]c1C(=S)S)c2ccccc2,Cc1nc([nH]c1C(=S)S)c2ccccc2,"InChI=1/C11H10N2S2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)",C11H10N2S2,,,,,,FNKXLEZIGQBFIA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.041,282-571-8,84255-24-3,"2,5-dimethylimidazole-4-carboxylic acid","2,4-dimethyl-1H-imidazole-5-carboxylic acid",Cc1nc(C)c([nH]1)C(=O)O,Cc1nc(C)c([nH]1)C(=O)O,"InChI=1/C6H8N2O2/c1-3-5(6(9)10)8-4(2)7-3/h1-2H3,(H,7,8)(H,9,10)",C6H8N2O2,,,,,,QVXKYDAPVGBFJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.045,282-576-5,84255-28-7,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-isoleucine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-isoleucine - piperidine (1:1),CCC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CCC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C18H24N2O4S.C5H11N/c1-5-12(2)17(18(21)22)19-25(23,24)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4;1-2-4-6-5-3-1/h6-12,17,19H,5H2,1-4H3,(H,21,22);6H,1-5H2",C18H24N2O4S.C5H11N,,,,,,GZONKPWJSKEJIC-YYEGJJRBSA-N,,,,,,,,,,,
100.075.050,282-581-2,84255-33-4,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-norleucine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-norleucine - piperidine (1:1),CCCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CCCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C18H24N2O4S.C5H11N/c1-4-5-10-15(18(21)22)19-25(23,24)17-12-7-8-13-14(17)9-6-11-16(13)20(2)3;1-2-4-6-5-3-1/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,21,22);6H,1-5H2",C18H24N2O4S.C5H11N,,,,,,VNMZCEOBZVWGQI-RSAXXLAASA-N,,,,,,,,,,,
100.075.052,282-583-3,84255-35-6,6-benzoyl-2-methoxynaphthalene,(6-methoxy-2-naphthyl)(phenyl)methanone,COc1ccc2cc(ccc2c1)C(=O)c3ccccc3,COc1ccc2cc(ccc2c1)C(=O)c3ccccc3,"InChI=1/C18H14O2/c1-20-17-10-9-14-11-16(8-7-15(14)12-17)18(19)13-5-3-2-4-6-13/h2-12H,1H3",C18H14O2,,,,,,NGPLOXCCMGHIEM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.055,282-587-5,84255-38-9,2-heptadecyl-1H-imidazole-4-carbodithioic acid,2-heptadecyl-1H-imidazole-4-carbodithioic acid,CCCCCCCCCCCCCCCCCc1nc(c[nH]1)C(=S)S,CCCCCCCCCCCCCCCCCc1nc(c[nH]1)C(=S)S,"InChI=1/C21H38N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19(23-20)21(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)",C21H38N2S2,,,,,,LSLHHVSRCDKRKB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.056,282-588-0,84255-39-0,2-phenyl-1H-imidazole-4-carbodithioic acid,2-phenyl-1H-imidazole-4-carbodithioic acid,SC(=S)c1c[nH]c(n1)c2ccccc2,SC(=S)c1c[nH]c(n1)c2ccccc2,"InChI=1/C10H8N2S2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)",C10H8N2S2,,,,,,BPFXGDCUBZBEQF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.388,277-450-1,73398-52-4,"Tetrasodium 4-hydroxy-5-[[4-[[5-hydroxy-6-[(4-methoxy-2-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]-6-(morpholino)-1,3,5-triazin-2-yl]amino]-3-(phenylazo)naphthalene-2,7-disulphonate","tetrasodium 4-hydroxy-5-{[4-({5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino}-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(OC)ccc8N=Nc2c(cc1cc(ccc1c2O)Nc6nc(nc(Nc5cc(cc4cc(c(N=Nc3ccccc3)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)n6)N7CCOCC7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(OC)ccc8N=Nc2c(cc1cc(ccc1c2O)Nc6nc(nc(Nc5cc(cc4cc(c(N=Nc3ccccc3)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)n6)N7CCOCC7)S([O-])(=O)=O,"InChI=1/C40H34N10O16S4.4Na/c1-65-25-8-10-28(30(19-25)68(56,57)58)47-49-34-31(69(59,60)61)17-21-15-24(7-9-27(21)36(34)51)41-38-43-39(45-40(44-38)50-11-13-66-14-12-50)42-29-20-26(67(53,54)55)16-22-18-32(70(62,63)64)35(37(52)33(22)29)48-46-23-5-3-2-4-6-23;;;;/h2-10,15-20,51-52H,11-14H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,42,43,44,45);;;;/q;4*+1/p-4",C40H34N10O16S4.4Na,,,,,,SJNJGMHBWNSMCF-UHFFFAOYSA-J,,,,,,,,,,,
100.070.392,277-454-3,73398-73-9,"Ethyl 3-[(4-nitrophenyl)amino]-3-[(2,4,6-trichlorophenyl)hydrazono]propionate","ethyl 3-[(4-nitrophenyl)amino]-3-[(2,4,6-trichlorophenyl)hydrazono]propanoate",Clc2cc(Cl)cc(Cl)c2NN=C(CC(=O)OCC)Nc1ccc(cc1)[N+]([O-])=O,Clc2cc(Cl)cc(Cl)c2NN=C(CC(=O)OCC)Nc1ccc(cc1)[N+]([O-])=O,"InChI=1/C17H15Cl3N4O4/c1-2-28-16(25)9-15(21-11-3-5-12(6-4-11)24(26)27)22-23-17-13(19)7-10(18)8-14(17)20/h3-8,23H,2,9H2,1H3,(H,21,22)",C17H15Cl3N4O4,,,,,,IZUYLTCDLDDGQD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.393,277-455-9,73398-77-3,"5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride","5-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium chloride",[Cl-].CN2/C=N\\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC,[Cl-].CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC,"InChI=1/C14H22N6.ClH/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;/h7-11,14H,5-6H2,1-4H3;1H",C14H21N6.Cl,,,,,,SACUGCOXIBNKOU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.892,259-301-2,54714-11-3,"4,6-diphenylthieno[3,4-d]-1,3-dioxol-2-one 5,5-dioxide","4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one 5,5-dioxide",O=C1OC2=C(c3ccccc3)S(=O)(=O)C(=C2O1)c4ccccc4,O=C1OC2=C(c3ccccc3)S(=O)(=O)C(=C2O1)c4ccccc4,"InChI=1/C17H10O5S/c18-17-21-13-14(22-17)16(12-9-5-2-6-10-12)23(19,20)15(13)11-7-3-1-4-8-11/h1-10H",C17H10O5S,,,,,,UEOYFCIGZWQXTP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.909,259-320-6,54750-08-2,"(1a,3ß,4ß,6a)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",C[C@H]1C[C@@H]2[C@H](C[C@H]1O)C2(C)C,C[C@H]1C[C@@H]2[C@H](C[C@H]1O)C2(C)C,"InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,WHXOMZVLSNHION-UYXSQOIJSA-N,,,,,,,,,,,
100.053.921,259-333-7,54769-24-3,Ethyl N-[1-[(benzyloxy)carbonyl]-L-prolyl]-L-leucinate,ethyl 1-[(benzyloxy)carbonyl]-L-prolyl-L-leucinate,CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2,CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2,"InChI=1/C21H30N2O5/c1-4-27-20(25)17(13-15(2)3)22-19(24)18-11-8-12-23(18)21(26)28-14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3,(H,22,24)",C21H30N2O5,,,,,,QYWSQHOSAZYAGT-ROUUACIJSA-N,,,,,,,,,,,
100.053.923,259-335-8,54771-30-1,Dinonylphenyl bis(nonylphenyl) phosphite,"2,3-dinonylphenyl bis(2-nonylphenyl) phosphite",CCCCCCCCCc1cccc(OP(Oc2ccccc2CCCCCCCCC)Oc3ccccc3CCCCCCCCC)c1CCCCCCCCC,CCCCCCCCCc1cccc(OP(Oc2ccccc2CCCCCCCCC)Oc3ccccc3CCCCCCCCC)c1CCCCCCCCC,"InChI=1/C54H87O3P/c1-5-9-13-17-21-25-29-38-48-43-37-47-54(51(48)44-32-28-24-20-16-12-8-4)57-58(55-52-45-35-33-41-49(52)39-30-26-22-18-14-10-6-2)56-53-46-36-34-42-50(53)40-31-27-23-19-15-11-7-3/h33-37,41-43,45-47H,5-32,38-40,44H2,1-4H3",C54H87O3P,,,,,,OZFFDSIESCRZEA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.926,259-338-4,54773-21-6,"2,4,6-trioctylphenol","2,4,6-trioctylphenol",CCCCCCCCc1cc(CCCCCCCC)c(O)c(CCCCCCCC)c1,CCCCCCCCc1cc(CCCCCCCC)c(O)c(CCCCCCCC)c1,"InChI=1/C30H54O/c1-4-7-10-13-16-19-22-27-25-28(23-20-17-14-11-8-5-2)30(31)29(26-27)24-21-18-15-12-9-6-3/h25-26,31H,4-24H2,1-3H3",C30H54O,,,,,,TXLUGDNIWJVCEX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.930,259-343-1,54778-37-9,"2,2,2-tribromoethyl 5-oxo-L-prolinate","2,2,2-tribromoethyl 5-oxo-L-prolinate",BrC(Br)(Br)COC(=O)[C@@H]1CCC(=O)N1,BrC(Br)(Br)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C7H8Br3NO3/c8-7(9,10)3-14-6(13)4-1-2-5(12)11-4/h4H,1-3H2,(H,11,12)",C7H8Br3NO3,,,,,,NSUUOPICYTUVAM-BYPYZUCNSA-N,,,,,,,,,,,
100.072.668,279-958-9,82457-16-7,"o-tolyl p-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]benzenesulphonate","2-methylphenyl 4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]benzenesulfonate",Cc1ccccc1OS(=O)(=O)c2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2,Cc1ccccc1OS(=O)(=O)c2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2,"InChI=1/C27H19NO7S/c1-15-6-2-5-9-21(15)35-36(32,33)17-12-10-16(11-13-17)34-22-14-20(29)23-24(25(22)28)27(31)19-8-4-3-7-18(19)26(23)30/h2-14,29H,28H2,1H3",C27H19NO7S,,,,,,AVJOPEYMGKFEJG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.676,279-967-8,82461-14-1,"2,4-dimethyl-4-phenyltetrahydrofuran","2,4-dimethyl-4-phenyltetrahydrofuran",CC1CC(C)(CO1)c2ccccc2,CC1CC(C)(CO1)c2ccccc2,"InChI=1/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C12H16O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17231,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.676,GPMLJOOQCIHFET-UHFFFAOYSA-N,,,,,,,,,,,
100.072.677,279-968-3,82461-15-2,ß-allyl-ß-methylphenethyl alcohol,2-methyl-2-phenylpent-4-en-1-ol,CC(CO)(CC=C)c1ccccc1,CC(CO)(CC=C)c1ccccc1,"InChI=1/C12H16O/c1-3-9-12(2,10-13)11-7-5-4-6-8-11/h3-8,13H,1,9-10H2,2H3",C12H16O,,,,,,STSNKLAYQBTGNG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.296,278-448-3,76408-69-0,"L-Cysteine, S-[(acetylamino)methyl]-N-[N-[N-[N-[N-[N2-[(1,1-dimethylethoxy)carbonyl]-N6-[[2-(methylsulfonyl)ethoxy]carbonyl]-l-lysyl]-l-threonyl]-l-phenylalanyl]-l-threonyl]-l-seryl]-, 2-[[[4-(phenylazo)phenyl]methyl]sulfonyl]ethyl ester",2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N~2~-(tert-butoxycarbonyl)-N~6~-{[2-(methylsulfonyl)ethoxy]carbonyl}-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate,CS(=O)(=O)CCOC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3,CS(=O)(=O)CCOC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C56H80N10O19S3/c1-35(68)46(63-48(71)42(62-55(78)85-56(4,5)6)20-14-15-25-57-54(77)84-26-28-87(7,79)80)51(74)59-43(30-38-16-10-8-11-17-38)49(72)64-47(36(2)69)52(75)60-44(31-67)50(73)61-45(32-86-34-58-37(3)70)53(76)83-27-29-88(81,82)33-39-21-23-41(24-22-39)66-65-40-18-12-9-13-19-40/h8-13,16-19,21-24,35-36,42-47,67-69H,14-15,20,25-34H2,1-7H3,(H,57,77)(H,58,70)(H,59,74)(H,60,75)(H,61,73)(H,62,78)(H,63,71)(H,64,72)",C56H80N10O19S3,,,,,,DRJOFHYTZQGMQV-GLFHHJNFSA-N,,,,,,,,,,,
100.071.297,278-449-9,76408-71-4,"L-Cysteine, S-[(acetylamino)methyl]-N-[N-[N-[N-[N-[N6-[[2-(methylsulfonyl)ethoxy]carbonyl]-l-lysyl]-l-threonyl]-l-phenylalanyl]-l-threonyl]-l-seryl]-, 2-[[[4-(phenylazo)phenyl]methyl]sulfonyl]ethyl ester, mono(trifluoroacetate) (salt)",2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N~6~-{[2-(methylsulfonyl)ethoxy]carbonyl}-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate trifluoroacetate,FC(F)(F)C(O)=O.CS(=O)(=O)CCOC(=O)NCCCC[C@H](N)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3,FC(F)(F)C(O)=O.CS(=O)(=O)CCOC(=O)NCCCC[C@H](N)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C51H72N10O17S3.C2HF3O2/c1-32(63)43(58-45(66)39(52)17-11-12-22-53-51(72)78-23-25-80(4,73)74)48(69)55-40(27-35-13-7-5-8-14-35)46(67)59-44(33(2)64)49(70)56-41(28-62)47(68)57-42(29-79-31-54-34(3)65)50(71)77-24-26-81(75,76)30-36-18-20-38(21-19-36)61-60-37-15-9-6-10-16-37;3-2(4,5)1(6)7/h5-10,13-16,18-21,32-33,39-44,62-64H,11-12,17,22-31,52H2,1-4H3,(H,53,72)(H,54,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,67);(H,6,7)",C51H72N10O17S3.C2HF3O2,,,,,,ZJYOMSNOKURAEI-CLORJQPTSA-N,,,,,,,,,,,
100.071.298,278-450-4,76408-72-5,"L-Cysteine, S-[(acetylamino)methyl]-N-[N-[N-[N-[N-[N2-[N-[(1,1-dimethylethoxy)carbonyl]-l-tryptophyl]-N6-[[2-(methylsulfonyl)ethoxy]carbonyl]-l-lysyl]-l-threonyl]-l-phenylalanyl]-l-threonyl]-l-seryl]-, 2-[[[4-(phenylazo)phenyl]methyl]sulfonyl]ethyl ester",2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N-(tert-butoxycarbonyl)-L-tryptophyl-N~6~-{[2-(methylsulfonyl)ethoxy]carbonyl}-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate,O=S(=O)(Cc2ccc(N=Nc1ccccc1)cc2)CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc5cnc4ccccc45)C(C)O)C(C)O,O=S(=O)(Cc2ccc(N=Nc1ccccc1)cc2)CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc5cnc4ccccc45)C(C)O)C(C)O,"InChI=1/C67H90N12O20S3/c1-41(81)56(76-58(84)51(24-16-17-29-68-65(91)98-30-32-101(7,93)94)71-59(85)53(75-66(92)99-67(4,5)6)35-46-36-69-50-23-15-14-22-49(46)50)62(88)72-52(34-44-18-10-8-11-19-44)60(86)77-57(42(2)82)63(89)73-54(37-80)61(87)74-55(38-100-40-70-43(3)83)64(90)97-31-33-102(95,96)39-45-25-27-48(28-26-45)79-78-47-20-12-9-13-21-47/h8-15,18-23,25-28,36,41-42,51-57,69,80-82H,16-17,24,29-35,37-40H2,1-7H3,(H,68,91)(H,70,83)(H,71,85)(H,72,88)(H,73,89)(H,74,87)(H,75,92)(H,76,84)(H,77,86)",C67H90N12O20S3,,,,,,GJIHVQSMNIZKTB-RZRSKYCCSA-N,,,,,,,,,,,
100.071.315,278-469-8,76454-48-3,"Sodium (2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","sodium 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",[Na+].CC1(C)S[C@H]2N([C@H]1C(=O)[O-])C(=O)C2(Br)Br,[Na+].CC1(C)S[C@H]2N([C@H]1C(=O)[O-])C(=O)C2(Br)Br,"InChI=1/C8H9Br2NO3S.Na/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7;/h3,6H,1-2H3,(H,12,13);/q;+1/p-1",C8H9Br2NO3S.Na,,,,,,XWUDUANQIPYTLG-KQRLMAEXSA-M,,,,,,,,,,,
100.073.134,280-470-3,83507-03-3,"6,7,8,9-tetrahydro-7-methyl-5H-dibenz[b,i][1,6]oxazecinium hydrogen maleate","7-methyl-6,7,8,9-tetrahydro-5H-dibenzo[b,i][1,6]oxazecin-7-ium hydrogen but-2-enedioate",C[NH+]1CCc2ccccc2Oc3ccccc3CC1.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+]1CCc2ccccc2Oc3ccccc3CC1.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C17H19NO.C4H4O4/c1-18-12-10-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)11-13-18;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/p-1",C17H19NO.C4H4O4,,,,,,MICHSTJYYGFTDE-BTJKTKAUSA-M,,,,,,,,,,,
100.073.135,280-471-9,83515-98-4,Sodium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino](4-hydroxyphenyl)acetate,sodium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](4-hydroxyphenyl)acetate,[Na+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OCC)C([O-])=O,[Na+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OCC)C([O-])=O,"InChI=1/C14H17NO5.Na/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-8,13,15-16H,3H2,1-2H3,(H,18,19);/q;+1/p-1",C14H17NO5.Na,,,,,,LYGHYIKPFDIFPR-BTQNPOSSSA-M,,,,,,,,,,,
100.073.142,280-479-2,83547-95-9,"2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-phosphatetradecanoate 4-oxide","2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-phosphatetradecan-1-oate 4-oxide",CCCCC(CC)COC(=O)CSP(=O)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CSP(=O)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/C30H57O7PS3/c1-7-13-16-25(10-4)19-35-28(31)22-39-38(34,40-23-29(32)36-20-26(11-5)17-14-8-2)41-24-30(33)37-21-27(12-6)18-15-9-3/h25-27H,7-24H2,1-6H3",C30H57O7PS3,,,,,,VCEOZBZYQYAEMK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.873,258-179-8,52788-68-8,2-methyloxirane-2-carbaldehyde,2-methyloxirane-2-carbaldehyde,CC1(CO1)C=O,CC1(CO1)C=O,"InChI=1/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3",C4H6O2,,,,,,ARDBEZFTUVBDOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.876,252-680-5,35689-81-7,"1,1'-fluoranthene-3,9-diylbis[2-(dimethylamino)ethan-1-one] dihydrochloride","1,1'-fluoranthene-3,9-diylbis[2-(dimethylamino)ethanone] dihydrochloride",Cl.Cl.CN(C)CC(=O)c1ccc2c3cccc4c(ccc(c2c1)c34)C(=O)CN(C)C,Cl.Cl.CN(C)CC(=O)c1ccc2c3cccc4c(ccc(c2c1)c34)C(=O)CN(C)C,"InChI=1/C24H24N2O2.2ClH/c1-25(2)13-22(27)15-8-9-16-18-6-5-7-19-17(23(28)14-26(3)4)10-11-20(24(18)19)21(16)12-15;;/h5-12H,13-14H2,1-4H3;2*1H",C24H24N2O2.2ClH,,,,,,GHEVSMQHYHJBEK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.877,252-681-0,35691-65-7,2-bromo-2-(bromomethyl)pentanedinitrile,2-bromo-2-(bromomethyl)pentanedinitrile,BrCC(Br)(CCC#N)C#N,BrCC(Br)(CCC#N)C#N,"InChI=1/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2",C6H6Br2N2,,,,,,DHVLDKHFGIVEIP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.881,252-685-2,35704-19-9,N-(4-cyanophenyl)acetamide,N-(4-cyanophenyl)acetamide,CC(=O)Nc1ccc(cc1)C#N,CC(=O)Nc1ccc(cc1)C#N,"InChI=1/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)",C9H8N2O,,,,,,UFKRTEWFEYWIHD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.882,252-686-8,35709-09-2,Oleyl methanesulphonate,octadec-9-en-1-yl methanesulfonate,CCCCCCCC\\C=C/CCCCCCCCOS(=O)(=O)C,CCCCCCCC\C=C/CCCCCCCCOS(=O)(=O)C,"InChI=1/C19H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(2,20)21/h10-11H,3-9,12-19H2,1-2H3",C19H38O3S,,,,,,SFCVHVDJESFESU-KHPPLWFESA-N,,,,,,,,,,,
100.047.883,252-687-3,35711-34-3,Sodium 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate,sodium [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate,[Na+].Cc1ccc(cc1)C(=O)c2ccc(CC(=O)[O-])n2C,[Na+].Cc1ccc(cc1)C(=O)c2ccc(CC(=O)[O-])n2C,"InChI=1/C15H15NO3.Na/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;/h3-8H,9H2,1-2H3,(H,17,18);/q;+1/p-1",C15H15NO3.Na,,,,,,QGUALMNFRILWRA-UHFFFAOYSA-M,,,,,,,,,,,
100.049.697,254-686-3,39897-21-7,"N-[(vinyloxy)carbonyl]-L-alanine, compound with dicyclohexylamine (1:1)",N-[(vinyloxy)carbonyl]-L-alanine - N-cyclohexylcyclohexanamine (1:1),C[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2,C[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C6H9NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-11-6(10)7-4(2)5(8)9/h11-13H,1-10H2;3-4H,1H2,2H3,(H,7,10)(H,8,9)",C12H23N.C6H9NO4,,,,,,RUYGCUWWXPSDMA-VWMHFEHESA-N,,,,,,,,,,,
100.049.700,254-690-5,39899-98-4,"[1S-[1a(E),5ß]]-1-[5-isopropyl-2-methyl-2-cyclohexen-1-yl]-2-buten-1-one",1-(5-isopropyl-2-methylcyclohex-2-en-1-yl)but-2-en-1-one,CC=CC(=O)C1CC(CC=C1C)C(C)C,CC=CC(=O)C1CC(CC=C1C)C(C)C,"InChI=1/C14H22O/c1-5-6-14(15)13-9-12(10(2)3)8-7-11(13)4/h5-7,10,12-13H,8-9H2,1-4H3",C14H22O,,,,,,NDIIRIBTDFAWIS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.701,254-691-0,39900-11-3,"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)butane-1,3-dione","1-(2,6,6-trimethylcyclohex-2-en-1-yl)butane-1,3-dione",CC(=O)CC(=O)C1C(=CCCC1(C)C)C,CC(=O)CC(=O)C1C(=CCCC1(C)C)C,"InChI=1/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h6,12H,5,7-8H2,1-4H3",C13H20O2,,,,,,RDXJHZKPBWOPGF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.703,254-693-1,39900-38-4,"[3R-(3a,3aß,6a,7ß,8aa)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-yl formate",cedran-8-yl formate,CC1CCC2C(C)(C)C3CC12CCC3(C)OC=O,CC1CCC2C(C)(C)C3CC12CCC3(C)OC=O,"InChI=1/C16H26O2/c1-11-5-6-12-14(2,3)13-9-16(11,12)8-7-15(13,4)18-10-17/h10-13H,5-9H2,1-4H3",C16H26O2,,,,,,AHZYNUWTBDLJHG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.710,254-700-8,39922-09-3,Cyclohexylidene,cyclohexane,C1CCCCC1,C1CCCCC1,InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2,C6H10,,,,,,XDTMQSROBMDMFD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.712,254-702-9,39924-27-1,Ethyl (Z)-hept-4-enoate,ethyl hept-4-enoate,CCOC(=O)CC\\C=C/CC,CCOC(=O)CC\C=C/CC,"InChI=1/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,GITGIBUELGTBSG-WAYWQWQTSA-N,,,,,,,,,,,
100.049.722,254-713-9,39951-36-5,"Glycerol dihydrogen phosphate, sodium salt",-,[Na+].OP(O)(=O)OC(CO)CO,[Na+].OP(O)(=O)OC(CO)CO,"InChI=1/C3H9O6P.Na/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+1",C3H9O6P.xNa,,,,,,BYTBRXJIOINRFR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.724,254-716-5,39951-83-2,"2-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide","2-{[4-chloro-2-(trifluoromethyl)phenyl]diazenyl}-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",FC(F)(F)c3cc(Cl)ccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,FC(F)(F)c3cc(Cl)ccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,"InChI=1/C18H13ClF3N5O3/c1-8(28)15(27-26-12-4-2-9(19)6-11(12)18(20,21)22)16(29)23-10-3-5-13-14(7-10)25-17(30)24-13/h2-7,15H,1H3,(H,23,29)(H2,24,25,30)",C18H13ClF3N5O3,,,,,,AEASHRDYTBPWPD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.726,254-718-6,39952-00-6,2-[[3-chloro-4-[(2-cyanoethyl)amino]phenyl]azo]-5-nitrobenzonitrile,2-({3-chloro-4-[(2-cyanoethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile,Clc1cc(ccc1NCCC#N)N=Nc2ccc(cc2C#N)[N+]([O-])=O,Clc1cc(ccc1NCCC#N)N=Nc2ccc(cc2C#N)[N+]([O-])=O,"InChI=1/C16H11ClN6O2/c17-14-9-12(2-4-16(14)20-7-1-6-18)21-22-15-5-3-13(23(24)25)8-11(15)10-19/h2-5,8-9,20H,1,7H2",C16H11ClN6O2,,,,,,GBMGRRMYWVRVOC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.060,282-592-2,84255-43-6,"4-(1,3-diphenylbutyl)-m-xylene","1-(1,3-diphenylbutyl)-2,4-dimethylbenzene",CC(CC(c1ccccc1)c2ccc(C)cc2C)c3ccccc3,CC(CC(c1ccccc1)c2ccc(C)cc2C)c3ccccc3,"InChI=1/C24H26/c1-18-14-15-23(20(3)16-18)24(22-12-8-5-9-13-22)17-19(2)21-10-6-4-7-11-21/h4-16,19,24H,17H2,1-3H3",C24H26,,,,,,CVMZUUAJZMBCDI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.127,278-263-8,75578-79-9,"6-benzoyl-2,3-dihydroxyphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","6-benzoyl-2,3-dihydroxyphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Oc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34)c1O,Oc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34)c1O,"InChI=1/C23H14N2O7S/c24-25-17-11-9-14-15(21(17)28)7-4-8-19(14)33(30,31)32-23-16(10-12-18(26)22(23)29)20(27)13-5-2-1-3-6-13/h1-12,26,29H",C23H14N2O7S,,,,,,DYJRGMPOHRWJFU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.131,278-268-5,75624-75-8,[(3-methylisoxazol-5-yl)methyl]triphenylphosphonium chloride,[(3-methylisoxazol-5-yl)methyl](triphenyl)phosphonium chloride,[Cl-].Cc1cc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)on1,[Cl-].Cc1cc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)on1,"InChI=1/C23H21NOP.ClH/c1-19-17-20(25-24-19)18-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-17H,18H2,1H3;1H/q+1;/p-1",C23H21NOP.Cl,,,,,,PBCNGBQKPKQWEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.071.132,278-269-0,75626-98-1,2-[2-[4-[(4-chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)propionate,2-(2-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}ethoxy)ethyl 2-(3-benzoylphenyl)propanoate,O=C(c1ccccc1)c2cc(ccc2)C(C)C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4,O=C(c1ccccc1)c2cc(ccc2)C(C)C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4,"InChI=1/C37H39ClN2O4/c1-28(31-11-7-12-32(26-31)36(41)30-8-3-2-4-9-30)37(42)44-25-24-43-23-22-39-18-20-40(21-19-39)27-33-10-5-6-13-35(33)29-14-16-34(38)17-15-29/h2-17,26,28H,18-25,27H2,1H3",C37H39ClN2O4,,,,,,RRHPLWOJGYBOPW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.135,278-272-7,75627-17-7,Sodium 3-[[4-[(2-methoxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulphonate,sodium 3-({4-[(2-methoxy-5-methylphenyl)diazenyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].COc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23,[Na+].COc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23,"InChI=1/C24H20N4O4S.Na/c1-16-10-13-24(32-2)23(14-16)28-27-22-12-11-21(19-8-3-4-9-20(19)22)26-25-17-6-5-7-18(15-17)33(29,30)31;/h3-15H,1-2H3,(H,29,30,31);/q;+1/p-1",C24H20N4O4S.Na,,,,,,UFKGCAHCBCVYJV-UHFFFAOYSA-M,,,,,,,,,,,
100.071.140,278-277-4,75627-23-5,Sodium 8-amino-5-(naphthylazo)naphthalene-2-sulphonate,sodium 8-amino-5-(1-naphthyldiazenyl)naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c1ccc4c(c1)c(N)ccc4N=Nc3cccc2ccccc23,[Na+].[O-]S(=O)(=O)c1ccc4c(c1)c(N)ccc4N=Nc3cccc2ccccc23,"InChI=1/C20H15N3O3S.Na/c21-18-10-11-20(16-9-8-14(12-17(16)18)27(24,25)26)23-22-19-7-3-5-13-4-1-2-6-15(13)19;/h1-12H,21H2,(H,24,25,26);/q;+1/p-1",C20H15N3O3S.Na,,,,,,NNJUZBXHCXWEHT-UHFFFAOYSA-M,,,,,,,,,,,
100.071.336,278-492-3,76579-17-4,"3'-chloro-6'-(diethylamino)-2'-[(2-ethoxyethyl)amino]spiro[isobenzofuran-1[3H],9'-[9H]xanthene]-3-one","3'-chloro-6'-(diethylamino)-2'-[(2-ethoxyethyl)amino]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCOCCNc1cc2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)N(CC)CC)cc1Cl,CCOCCNc1cc2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)N(CC)CC)cc1Cl,"InChI=1/C28H29ClN2O4/c1-4-31(5-2)18-11-12-21-25(15-18)34-26-17-23(29)24(30-13-14-33-6-3)16-22(26)28(21)20-10-8-7-9-19(20)27(32)35-28/h7-12,15-17,30H,4-6,13-14H2,1-3H3",C28H29ClN2O4,,,,,,GMMDVIFDPUJVLH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.340,278-497-0,76608-49-6,"a-tert-butyl-ß-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol","1-cyclohexyl-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol",OC(C(=CC1CCCCC1)n2cncn2)C(C)(C)C,OC(C(=CC1CCCCC1)n2cncn2)C(C)(C)C,"InChI=1/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3",C15H25N3O,,,,,,CNFMJLVJDNGPHR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.344,278-501-0,76617-42-0,3-chloro-5-hexyl-3-methyldihydrofuran-2(3H)-one,3-chloro-5-hexyl-3-methyldihydrofuran-2(3H)-one,CCCCCCC1CC(C)(Cl)C(=O)O1,CCCCCCC1CC(C)(Cl)C(=O)O1,"InChI=1/C11H19ClO2/c1-3-4-5-6-7-9-8-11(2,12)10(13)14-9/h9H,3-8H2,1-2H3",C11H19ClO2,,,,,,DEEWWKCLWPGBBC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.349,278-506-8,76636-10-7,"3-(dimethylamino)-6-(1,1-dimethylethyl)-4-methyl-1,2,4-triazin-5(4H)-one","6-tert-butyl-3-(dimethylamino)-4-methyl-1,2,4-triazin-5(4H)-one",CN(C)C1=NN=C(C(=O)N1C)C(C)(C)C,CN(C)C1=NN=C(C(=O)N1C)C(C)(C)C,"InChI=1/C10H18N4O/c1-10(2,3)7-8(15)14(6)9(12-11-7)13(4)5/h1-6H3",C10H18N4O,,,,,,HVHHQHTXTGUMSR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.350,278-507-3,76643-49-7,"4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)anthraquinone","4,5-diamino-1,8-dihydroxy-2,7-diisobutyl-9,10-anthraquinone",CC(C)Cc1cc(N)c2C(=O)c3c(N)cc(CC(C)C)c(O)c3C(=O)c2c1O,CC(C)Cc1cc(N)c2C(=O)c3c(N)cc(CC(C)C)c(O)c3C(=O)c2c1O,"InChI=1/C22H26N2O4/c1-9(2)5-11-7-13(23)15-17(19(11)25)22(28)18-16(21(15)27)14(24)8-12(20(18)26)6-10(3)4/h7-10,25-26H,5-6,23-24H2,1-4H3",C22H26N2O4,,,,,,CZJZMSRDRZJNSB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.352,278-509-4,76649-16-6,Ethyl (E)-4-decenoate,ethyl dec-4-enoate,CCCCC\\C=C\\CCC(=O)OCC,CCCCC\C=C\CCC(=O)OCC,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3",C12H22O2,,,,,,AWNIQMQADACLCJ-CMDGGOBGSA-N,,,,,,,,,,,
100.072.678,279-969-9,82463-26-1,Methyl N-[5-(acetylamino)-2-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-ß-alaninate,"methyl N-{5-acetamido-2-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}-beta-alaninate",COC(=O)CCNc2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2C,COC(=O)CCNc2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2C,"InChI=1/C16H18N6O5S/c1-9-6-13(20-21-16-18-8-14(28-16)22(25)26)12(19-10(2)23)7-11(9)17-5-4-15(24)27-3/h6-8,17H,4-5H2,1-3H3,(H,19,23)",C16H18N6O5S,,,,,,OZOIMARDLZLAAP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.682,279-974-6,82469-78-1,2-cyano-2-oxoethyl acetate,2-cyano-2-oxoethyl acetate,CC(=O)OCC(=O)C#N,CC(=O)OCC(=O)C#N,"InChI=1/C5H5NO3/c1-4(7)9-3-5(8)2-6/h3H2,1H3",C4H6N2O2,,,,,,KNQXQZSRXRRCIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.685,279-977-2,82486-83-7,2-(nitropropylamino)ethyl nitrate,2-[nitro(propyl)amino]ethyl nitrate,CCCN(CCO[N+](=O)[O-])[N+](=O)[O-],CCCN(CCO[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C5H11N3O5/c1-2-3-6(7(9)10)4-5-13-8(11)12/h2-5H2,1H3",C5H11N3O5,,,,,,CMDDLXHEAXTRQD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.690,279-983-5,82506-99-8,"1-chlorobutane-2,3-dione dioxime","1-chlorobutane-2,3-dione dioxime",CC(=NO)C(CCl)=NO,CC(=NO)C(CCl)=NO,"InChI=1/C4H7ClN2O2/c1-3(6-8)4(2-5)7-9/h8-9H,2H2,1H3",C4H7ClN2O2,,,,,,ZBMQRQACJNHGNB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.353,251-005-1,32349-98-7,"Ethyl 3,3,5-trimethylcyclohexaneacetate","ethyl (3,3,5-trimethylcyclohexyl)acetate",CCOC(=O)CC1CC(C)CC(C)(C)C1,CCOC(=O)CC1CC(C)CC(C)(C)C1,"InChI=1/C13H24O2/c1-5-15-12(14)7-11-6-10(2)8-13(3,4)9-11/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,IETOGGAMSCXJPG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.355,251-007-2,32350-96-2,"Bisacetaldehyde-O,O'-[(2-methoxyethoxy)methylsilylene]dioxime","acetaldehyde O,O'-[(2-methoxyethoxy)(methyl)silanediyl]oxime",COCCO[Si](C)(ON=CC)ON=CC,COCCO[Si](C)(ON=CC)ON=CC,"InChI=1/C8H18N2O4Si/c1-5-9-13-15(4,14-10-6-2)12-8-7-11-3/h5-6H,7-8H2,1-4H3",C8H18N2O4Si,,,,,,FRGYMRYXFYICFX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.359,251-011-4,32359-34-5,Medifoxamine,"N,N-dimethyl-2,2-diphenoxyethanamine",CN(C)CC(Oc1ccccc1)Oc2ccccc2,CN(C)CC(Oc1ccccc1)Oc2ccccc2,"InChI=1/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3",C16H19NO2,,,,,,QNMGHBMGNRQPNL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.361,251-014-0,32361-96-9,Sodium hydrogen 2-sulphonatotetradecanoate,sodium hydrogen 2-sulfonatotetradecanoate,[Na+].CCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13(14(15)16)20(17,18)19;/h13H,2-12H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-2",C14H28O5S.Na,,,,,,QNIFXCNMADEBBX-UHFFFAOYSA-L,,,,,,,,,,,
100.046.368,251-021-9,32388-56-0,"1-(1,3,4,4a,5,6,7-hexahydro-2,5,5-trimethyl-2H-2,4a-ethanonaphthalen-8-yl)ethan-1-one","1-(2,5,5-trimethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-ethanonaphthalen-8-yl)ethanone",CC(=O)C1=C2CC3(C)CCC2(CC3)C(C)(C)CC1,CC(=O)C1=C2CC3(C)CCC2(CC3)C(C)(C)CC1,"InChI=1/C17H26O/c1-12(18)13-5-6-15(2,3)17-9-7-16(4,8-10-17)11-14(13)17/h5-11H2,1-4H3",C17H26O,,,,,,QDPCSMUJYFCULY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.369,251-022-4,32391-01-8,Dianhydro-D-mannitol dioleate,"1,4:3,6-dianhydro-2,5-di-O-oleoylhexitol",CCCCCCCCC=CCCCCCCCC(=O)OC1COC2C(COC12)OC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)OC1COC2C(COC12)OC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C42H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)47-37-35-45-42-38(36-46-41(37)42)48-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-42H,3-16,21-36H2,1-2H3",C42H74O6,,,,,,NSDNRRCEYUFXNV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.373,251-027-1,32421-46-8,Bunaftine,N-butyl-N-[2-(diethylamino)ethyl]-1-naphthamide,CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12,CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12,"InChI=1/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3",C21H30N2O,,,,,,WWGZXRYELYWJBD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.628,251-306-8,32954-43-1,Pendecamaine,{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate,CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-],CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-],"InChI=1/C23H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(26)24-19-17-20-25(2,3)21-23(27)28/h4-21H2,1-3H3,(H-,24,26,27,28)",C23H46N2O3,,,,,,OTKWLUKIHNEGIG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.632,251-311-5,32961-44-7,"Isobutyl 4-chloro-3,5-diaminobenzoate","isobutyl 3,5-diamino-4-chlorobenzoate",CC(C)COC(=O)c1cc(N)c(Cl)c(N)c1,CC(C)COC(=O)c1cc(N)c(Cl)c(N)c1,"InChI=1/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3",C11H15ClN2O2,,,,,,KHUIRIRTZCOEMK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.638,251-317-8,32976-86-6,Ethyl N-[3-[bis(2-chloroethyl)amino]-N-[N-(4-fluoro-3-phenyl-L-alanyl)glycyl]-3-phenyl-L-alanyl]-L-norvalinate,ethyl 4-fluorophenylalanylglycyl-3-[bis(2-chloroethyl)amino]phenylalanylnorvalinate,CCCC(NC(=O)C(Cc1cccc(c1)N(CCCl)CCCl)NC(=O)CNC(=O)C(N)Cc2ccc(F)cc2)C(=O)OCC,CCCC(NC(=O)C(Cc1cccc(c1)N(CCCl)CCCl)NC(=O)CNC(=O)C(N)Cc2ccc(F)cc2)C(=O)OCC,"InChI=1/C31H42Cl2FN5O5/c1-3-6-26(31(43)44-4-2)38-30(42)27(19-22-7-5-8-24(17-22)39(15-13-32)16-14-33)37-28(40)20-36-29(41)25(35)18-21-9-11-23(34)12-10-21/h5,7-12,17,25-27H,3-4,6,13-16,18-20,35H2,1-2H3,(H,36,41)(H,37,40)(H,38,42)",C31H42Cl2FN5O5,,,,,,MCGIGMPPRWHWAP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.147,280-485-5,83562-74-7,2-nonyl-6-(1-phenylethyl)-p-cresol,4-methyl-2-nonyl-6-(1-phenylethyl)phenol,CCCCCCCCCc1cc(C)cc(C(C)c2ccccc2)c1O,CCCCCCCCCc1cc(C)cc(C(C)c2ccccc2)c1O,"InChI=1/C24H34O/c1-4-5-6-7-8-9-11-16-22-17-19(2)18-23(24(22)25)20(3)21-14-12-10-13-15-21/h10,12-15,17-18,20,25H,4-9,11,16H2,1-3H3",C24H34O,,,,,,HMPGNFHAOKAQFD-UHFFFAOYSA-N,,,,,,,,,,,
100.073.153,280-491-8,83573-57-3,p-(propoxycarbonyl)phenyl 3-nitro-p-toluate,4-(propoxycarbonyl)phenyl 4-methyl-3-nitrobenzoate,CCCOC(=O)c1ccc(OC(=O)c2ccc(C)c(c2)[N+](=O)[O-])cc1,CCCOC(=O)c1ccc(OC(=O)c2ccc(C)c(c2)[N+](=O)[O-])cc1,"InChI=1/C18H17NO6/c1-3-10-24-17(20)13-6-8-15(9-7-13)25-18(21)14-5-4-12(2)16(11-14)19(22)23/h4-9,11H,3,10H2,1-2H3",C18H17NO6,,,,,,JOUQWHISQQFODR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.160,280-499-1,83579-26-4,N-(hydroxymethyl)-N-vinylacetamide,N-(hydroxymethyl)-N-vinylacetamide,CC(=O)N(CO)C=C,CC(=O)N(CO)C=C,"InChI=1/C5H9NO2/c1-3-6(4-7)5(2)8/h3,7H,1,4H2,2H3",C5H9NO2,,,,,,RTXGMZRJRSWDRN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.169,280-508-9,83607-13-0,N-[3-(dimethylamino)propyl]stearamide monohydrochloride,N-[3-(dimethylamino)propyl]octadecanamide hydrochloride,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1/C23H48N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;/h4-22H2,1-3H3,(H,24,26);1H",C23H48N2O.ClH,,,,,,LVXUNJWLKCUTNF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.171,280-511-5,83656-38-6,Ipramidil,"N,N'-diisopropyl-1,2,5-oxadiazole-3,4-dicarboxamide 2-oxide",CC(C)NC(=O)c1no[n+]([O-])c1C(=O)NC(C)C,CC(C)NC(=O)c1no[n+]([O-])c1C(=O)NC(C)C,"InChI=1/C10H16N4O4/c1-5(2)11-9(15)7-8(14(17)18-13-7)10(16)12-6(3)4/h5-6H,1-4H3,(H,11,15)(H,12,16)",C10H16N4O4,,,,,,JSKUFGFVEPNZDX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.024,282-552-4,84255-05-0,N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide hydrochloride,N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide hydrochloride,Cl.CCC(=O)N(c1ccccc1)C2(COC)CCN(Cc3ccccc3)CC2,Cl.CCC(=O)N(c1ccccc1)C2(COC)CCN(Cc3ccccc3)CC2,"InChI=1/C23H30N2O2.ClH/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20;/h4-13H,3,14-19H2,1-2H3;1H",C23H30N2O2.ClH,,,,,,UBALQEDCSFDNTM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.028,282-557-1,84255-10-7,Disodium 8-[(4-methylphenyl)amino]-5-[[4-[(6-sulphonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonate,disodium 8-[(4-methylphenyl)amino]-5-({4-[(6-sulfonato-1-naphthyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)cccc7N=Nc6ccc(N=Nc4ccc(Nc2ccc(C)cc2)c3c(cccc34)S([O-])(=O)=O)c5ccccc56,[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)cccc7N=Nc6ccc(N=Nc4ccc(Nc2ccc(C)cc2)c3c(cccc34)S([O-])(=O)=O)c5ccccc56,"InChI=1/C37H27N5O6S2.2Na/c1-23-12-14-25(15-13-23)38-35-21-20-34(30-9-5-11-36(37(30)35)50(46,47)48)42-41-33-19-18-32(28-7-2-3-8-29(28)33)40-39-31-10-4-6-24-22-26(49(43,44)45)16-17-27(24)31;;/h2-22,38H,1H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C37H27N5O6S2.2Na,,,,,,MCUGYVNNLMUUGR-UHFFFAOYSA-L,,,,,,,,,,,
100.075.047,282-578-6,84255-30-1,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-leucine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-leucine - piperidine (1:1),CC(C)C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CC(C)C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C18H24N2O4S.C5H11N/c1-12(2)11-15(18(21)22)19-25(23,24)17-10-6-7-13-14(17)8-5-9-16(13)20(3)4;1-2-4-6-5-3-1/h5-10,12,15,19H,11H2,1-4H3,(H,21,22);6H,1-5H2",C18H24N2O4S.C5H11N,,,,,,RMTYRELLCOHJLO-RSAXXLAASA-N,,,,,,,,,,,
100.075.049,282-580-7,84255-32-3,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-methionine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-methionine - piperidine (1:1),CSCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CSCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C17H22N2O4S2.C5H11N/c1-19(2)15-8-4-7-13-12(15)6-5-9-16(13)25(22,23)18-14(17(20)21)10-11-24-3;1-2-4-6-5-3-1/h4-9,14,18H,10-11H2,1-3H3,(H,20,21);6H,1-5H2",C17H22N2O4S2.C5H11N,,,,,,CYWQGVOVQFVYJN-UQKRIMTDSA-N,,,,,,,,,,,
100.075.051,282-582-8,84255-34-5,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-norvaline, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-norvaline - piperidine (1:1),CCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C17H22N2O4S.C5H11N/c1-4-7-14(17(20)21)18-24(22,23)16-11-6-8-12-13(16)9-5-10-15(12)19(2)3;1-2-4-6-5-3-1/h5-6,8-11,14,18H,4,7H2,1-3H3,(H,20,21);6H,1-5H2",C17H22N2O4S.C5H11N,,,,,,DYWNTZPEFCLIRT-UQKRIMTDSA-N,,,,,,,,,,,
100.075.057,282-589-6,84255-40-3,5-methyl-1H-imidazole-4-carbodithioic acid,4-methyl-1H-imidazole-5-carbodithioic acid,Cc1nc[nH]c1C(=S)S,Cc1nc[nH]c1C(=S)S,"InChI=1/C5H6N2S2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)",C5H6N2S2,,,,,,FWWVSTJJEPANBO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.059,282-591-7,84255-42-5,2-ethyl-5-methyl-1H-imidazole-4-carbodithioic acid,2-ethyl-5-methyl-1H-imidazole-4-carbodithioic acid,CCc1nc(C(=S)S)c(C)[nH]1,CCc1nc(C(=S)S)c(C)[nH]1,"InChI=1/C7H10N2S2/c1-3-5-8-4(2)6(9-5)7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)",C7H10N2S2,,,,,,WQKQGRXNHYXVAH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.728,254-720-7,39959-37-0,"[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate","N-(4-{(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl.CC(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl.CC(=O)[O-],"InChI=1/C23H24ClN2.C2H4O2/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;1-2(3)4/h5-16H,1-4H3;1H3,(H,3,4)/q+1;/p-1",C23H24ClN2.C2H3O2,,,,,,FNZXZGWPUWZUDT-UHFFFAOYSA-M,,,,,,,,,,,
100.049.731,254-723-3,39973-76-7,Ethyl 2-benzoyl-3-ethoxyacrylate,ethyl 2-benzoyl-3-ethoxyacrylate,CCO\\C=C(/C(=O)OCC)\\C(=O)c1ccccc1,CCO\C=C(/C(=O)OCC)\C(=O)c1ccccc1,"InChI=1/C14H16O4/c1-3-17-10-12(14(16)18-4-2)13(15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",C14H16O4,,,,,,YAHUDNWHZFLCBN-BENRWUELSA-N,,,,,,,,,,,
100.050.905,256-014-4,42950-36-7,"Dihydrogen 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(4-sulphonatophenyl)phenazinium","5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-({8-[ethyl(3-sulfonatobenzyl)amino]-10-(4-sulfonatophenyl)phenazin-10-ium-2-yl}amino)benzenesulfonate",CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(Cl)n6)cc5S(=O)(=O)[O-])cc4[n+](c7ccc(cc7)S(=O)(=O)[O-])c3c2,CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(Cl)n6)cc5S(=O)(=O)[O-])cc4[n+](c7ccc(cc7)S(=O)(=O)[O-])c3c2,"InChI=1/C36H28Cl2N8O9S3/c1-2-45(20-21-4-3-5-27(16-21)57(50,51)52)25-10-15-29-32(19-25)46(24-8-11-26(12-9-24)56(47,48)49)31-17-22(6-13-28(31)41-29)39-30-14-7-23(18-33(30)58(53,54)55)40-36-43-34(37)42-35(38)44-36/h3-19H,2,20H2,1H3,(H4,40,41,42,43,44,47,48,49,50,51,52,53,54,55)/p-2",C36H28Cl2N8O9S3,,,,,,ZYRLHXUVYPJAID-UHFFFAOYSA-L,,,,,,,,,,,
100.050.906,256-016-5,42951-39-3,2-methyl-1-octyl-1H-indole,2-methyl-1-octyl-1H-indole,CCCCCCCCn1c(C)cc2ccccc12,CCCCCCCCn1c(C)cc2ccccc12,"InChI=1/C17H25N/c1-3-4-5-6-7-10-13-18-15(2)14-16-11-8-9-12-17(16)18/h8-9,11-12,14H,3-7,10,13H2,1-2H3",C17H25N,,,,,,MOVCYDNEZZZSLV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.907,256-017-0,42952-29-4,"1-ethyl-2-methylnaphtho[1,2-d]thiazolium toluene-p-sulphonate","1-ethyl-2-methylnaphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzenesulfonate",CC[n+]1c(C)sc2ccc3ccccc3c12.Cc4ccc(cc4)S(=O)(=O)[O-],CC[n+]1c(C)sc2ccc3ccccc3c12.Cc4ccc(cc4)S(=O)(=O)[O-],"InChI=1/C14H14NS.C7H8O3S/c1-3-15-10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)15;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C14H14NS.C7H7O3S,,,,,,KTTNCJKZKIRUTI-UHFFFAOYSA-M,,,,,,,,,,,
100.050.924,256-035-9,42983-32-4,"5,5-bis(bromomethyl)-2-ethoxy-1,3,2-dioxaphosphorinane 2-oxide","5,5-bis(bromomethyl)-2-ethoxy-1,3,2-dioxaphosphinane 2-oxide",CCOP1(=O)OCC(CBr)(CBr)CO1,CCOP1(=O)OCC(CBr)(CBr)CO1,"InChI=1/C7H13Br2O4P/c1-2-11-14(10)12-5-7(3-8,4-9)6-13-14/h2-6H2,1H3",C7H13Br2O4P,,,,,,QDYVUMSONFTXBY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.925,256-036-4,42983-36-8,"5,5-bis(bromomethyl)-2-methoxy-1,3,2-dioxaphosphorinane 2-oxide","5,5-bis(bromomethyl)-2-methoxy-1,3,2-dioxaphosphinane 2-oxide",COP1(=O)OCC(CBr)(CBr)CO1,COP1(=O)OCC(CBr)(CBr)CO1,"InChI=1/C6H11Br2O4P/c1-10-13(9)11-4-6(2-7,3-8)5-12-13/h2-5H2,1H3",C6H11Br2O4P,,,,,,QCKXXSXQSXPTAV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.928,256-040-6,42986-19-6,6-amino-4-hydroxy-5-[[2-sulpho-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid,6-amino-4-hydroxy-5-[(2-sulfo-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)OCCS(=O)(=O)c3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O)c(c3)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O)c(c3)S(O)(=O)=O,"InChI=1/C18H17N3O13S4/c19-13-3-1-10-7-12(36(25,26)27)8-15(22)17(10)18(13)21-20-14-4-2-11(9-16(14)37(28,29)30)35(23,24)6-5-34-38(31,32)33/h1-4,7-9,22H,5-6,19H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)",C18H17N3O13S4,,,,,,PLCDVZQLPMRBFS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.930,256-042-7,42989-16-2,"Methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate","methyl 2,4,5-trichloro-6-cyano-3-phenoxybenzoate",COC(=O)c1c(Cl)c(Oc2ccccc2)c(Cl)c(Cl)c1C#N,COC(=O)c1c(Cl)c(Oc2ccccc2)c(Cl)c(Cl)c1C#N,"InChI=1/C15H8Cl3NO3/c1-21-15(20)10-9(7-19)11(16)13(18)14(12(10)17)22-8-5-3-2-4-6-8/h2-6H,1H3",C15H8Cl3NO3,,,,,,UWCORGKXLPEJDM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.932,256-044-8,43001-81-6,2-[(7-amino-1-naphthyl)sulphonyl]ethanol,2-[(7-amino-1-naphthyl)sulfonyl]ethanol,Nc1ccc2cccc(c2c1)S(=O)(=O)CCO,Nc1ccc2cccc(c2c1)S(=O)(=O)CCO,"InChI=1/C12H13NO3S/c13-10-5-4-9-2-1-3-12(11(9)8-10)17(15,16)7-6-14/h1-5,8,14H,6-7,13H2",C12H13NO3S,,,,,,BPCNOAXJFXTTQY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.933,256-045-3,43002-00-2,2-bromo-6-(mesyl)-4-nitroaniline,2-bromo-6-(methylsulfonyl)-4-nitroaniline,CS(=O)(=O)c1cc(cc(Br)c1N)[N+](=O)[O-],CS(=O)(=O)c1cc(cc(Br)c1N)[N+](=O)[O-],"InChI=1/C7H7BrN2O4S/c1-15(13,14)6-3-4(10(11)12)2-5(8)7(6)9/h2-3H,9H2,1H3",C7H7BrN2O4S,,,,,,RVMXXBKHMJQXLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.934,256-046-9,43007-16-5,4-(p-bromophenyl)-4'-chlorobenzophenone,(4'-bromobiphenyl-4-yl)(4-chlorophenyl)methanone,Clc1ccc(cc1)C(=O)c2ccc(cc2)c3ccc(Br)cc3,Clc1ccc(cc1)C(=O)c2ccc(cc2)c3ccc(Br)cc3,InChI=1/C19H12BrClO/c20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16/h1-12H,C19H12BrClO,,,,,,HUKGFXRPOYQFSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.357,278-515-7,76649-22-4,3-methylbut-2-enyl hexanoate,3-methylbut-2-en-1-yl hexanoate,CCCCCC(=O)OCC=C(C)C,CCCCCC(=O)OCC=C(C)C,"InChI=1/C11H20O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h8H,4-7,9H2,1-3H3",C11H20O2,,,,,,MUVXQQVJNUBWPF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.360,278-518-3,76649-25-7,"3,6-nonadien-1-ol","nona-3,6-dien-1-ol",CCC=CCC=CCCO,CCC=CCC=CCCO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3",C9H16O,,,,,,PICGPEBVZGCYBV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.364,278-523-0,76673-66-0,"3-ethyl-3,4,6,7,12,12b-hexahydropyrimido[1',6':1,2]pyrido[3,4-b]indol-2(1H)-one","3-ethyl-3,4,6,7,12,12b-hexahydropyrimido[1',6':1,2]pyrido[3,4-b]indol-2(1H)-one",CCN1CN2CCc3c([nH]c4ccccc34)C2CC1=O,CCN1CN2CCc3c([nH]c4ccccc34)C2CC1=O,"InChI=1/C16H19N3O/c1-2-18-10-19-8-7-12-11-5-3-4-6-13(11)17-16(12)14(19)9-15(18)20/h3-6,14,17H,2,7-10H2,1H3",C16H19N3O,,,,,,YAAQMVUNFNUTHE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.367,278-526-7,76697-58-0,2-(propylsulphonyl)aniline,2-(propylsulfonyl)aniline,CCCS(=O)(=O)c1ccccc1N,CCCS(=O)(=O)c1ccccc1N,"InChI=1/C9H13NO2S/c1-2-7-13(11,12)9-6-4-3-5-8(9)10/h3-6H,2,7,10H2,1H3",C9H13NO2S,,,,,,DEQVKVCODPHASQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.172,280-512-0,83673-99-8,Diphenylmethyl (6R-trans)-3-morpholino-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,diphenylmethyl 3-morpholin-4-yl-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,O=C(COc1ccccc1)N[C@@H]2[C@@H]3SCC(=C(N3C2=O)C(=O)OC(c4ccccc4)c5ccccc5)N6CCOCC6,O=C(COc1ccccc1)N[C@@H]2[C@@H]3SCC(=C(N3C2=O)C(=O)OC(c4ccccc4)c5ccccc5)N6CCOCC6,"InChI=1/C32H31N3O6S/c36-26(20-40-24-14-8-3-9-15-24)33-27-30(37)35-28(25(21-42-31(27)35)34-16-18-39-19-17-34)32(38)41-29(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,27,29,31H,16-21H2,(H,33,36)",C32H31N3O6S,,,,,,ZHMXHYGLHUGWTL-DHIFEGFHSA-N,,,,,,,,,,,
100.073.179,280-519-9,83688-84-0,"1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol","1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol",CC(C)(C)NCC(O)COc1cccc2CCCSc12,CC(C)(C)NCC(O)COc1cccc2CCCSc12,"InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3",C16H25NO2S,,,,,,HTWFXPCUFWKXOP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.182,280-523-0,83706-47-2,2-[chloro(4-fluorophenyl)methylene]valeraldehyde,2-[chloro(4-fluorophenyl)methylene]pentanal,ClC(c1ccc(F)cc1)=C(C=O)CCC,ClC(c1ccc(F)cc1)=C(C=O)CCC,"InChI=1/C12H12ClFO/c1-2-3-10(8-15)12(13)9-4-6-11(14)7-5-9/h4-8H,2-3H2,1H3",C12H12ClFO,,,,,,YTOXIGMVFIBCBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.184,280-525-1,83706-49-4,2-[chloro(4-chlorophenyl)methylene]valeraldehyde,2-[chloro(4-chlorophenyl)methylene]pentanal,ClC(c1ccc(Cl)cc1)=C(C=O)CCC,ClC(c1ccc(Cl)cc1)=C(C=O)CCC,"InChI=1/C12H12Cl2O/c1-2-3-10(8-15)12(14)9-4-6-11(13)7-5-9/h4-8H,2-3H2,1H3",C12H12Cl2O,,,,,,CMRGGSDHVDGWQE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.187,280-528-8,83706-52-9,"cis-5-chloro-1,3-dihydro-1-(3-hydroxypiperidin-4-yl)-2H-benzimidazol-2-one","5-chloro-1-(3-hydroxypiperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one",OC1CNCCC1N2C(=O)Nc3cc(Cl)ccc23,OC1CNCCC1N2C(=O)Nc3cc(Cl)ccc23,"InChI=1/C12H14ClN3O2/c13-7-1-2-9-8(5-7)15-12(18)16(9)10-3-4-14-6-11(10)17/h1-2,5,10-11,14,17H,3-4,6H2,(H,15,18)",C12H14ClN3O2,,,,,,RMTPAGXJSVRQMI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.211,280-555-5,83711-57-3,Methyl N-(methoxycarbonyl)-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-[(methoxycarbonyl)imino]dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)C(=O)OC,COC(=O)CCN(CCC(=O)OC)C(=O)OC,"InChI=1/C10H17NO6/c1-15-8(12)4-6-11(10(14)17-3)7-5-9(13)16-2/h4-7H2,1-3H3",C10H17NO6,,,,,,AFMJSJPNRZXPRE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.064,282-596-4,84255-47-0,"2,5-bis(1-phenylethyl)-p-xylene","1,4-dimethyl-2,5-bis(1-phenylethyl)benzene",CC(c1ccccc1)c2cc(C)c(cc2C)C(C)c3ccccc3,CC(c1ccccc1)c2cc(C)c(cc2C)C(C)c3ccccc3,"InChI=1/C24H26/c1-17-15-24(20(4)22-13-9-6-10-14-22)18(2)16-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3",C24H26,,,,,,GWMNFJKPPXCNRA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.065,282-598-5,84255-48-1,"1-ethyl-2,4-bis(1-phenylethyl)benzene","1-ethyl-2,4-bis(1-phenylethyl)benzene",CCc1ccc(cc1C(C)c2ccccc2)C(C)c3ccccc3,CCc1ccc(cc1C(C)c2ccccc2)C(C)c3ccccc3,"InChI=1/C24H26/c1-4-20-15-16-23(18(2)21-11-7-5-8-12-21)17-24(20)19(3)22-13-9-6-10-14-22/h5-19H,4H2,1-3H3",C24H26,,,,,,OYKXYXMSGIHYFD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.066,282-599-0,84255-49-2,"4-ethyl-1,2-bis(1-phenylethyl)benzene","4-ethyl-1,2-bis(1-phenylethyl)benzene",CCc1ccc(C(C)c2ccccc2)c(c1)C(C)c3ccccc3,CCc1ccc(C(C)c2ccccc2)c(c1)C(C)c3ccccc3,"InChI=1/C24H26/c1-4-20-15-16-23(18(2)21-11-7-5-8-12-21)24(17-20)19(3)22-13-9-6-10-14-22/h5-19H,4H2,1-3H3",C24H26,,,,,,HIWZLNTZYOZWBH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.073,282-607-2,84255-56-1,[1-(4-ethylphenyl)ethyl](1-phenylethyl)benzene,1-[1-(4-ethylphenyl)ethyl]-2-(1-phenylethyl)benzene,CCc1ccc(cc1)C(C)c2ccccc2C(C)c3ccccc3,CCc1ccc(cc1)C(C)c2ccccc2C(C)c3ccccc3,"InChI=1/C24H26/c1-4-20-14-16-22(17-15-20)19(3)24-13-9-8-12-23(24)18(2)21-10-6-5-7-11-21/h5-19H,4H2,1-3H3",C24H26,,,,,,MPQIOAJJRCPJPV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.641,251-320-4,32982-66-4,Magnesium bis(tetraethoxyaluminate),magnesium bis[tetrakis(ethanolato)aluminate(1-)],[Mg+2].CCO[Al-](OCC)(OCC)OCC.CCO[Al-](OCC)(OCC)OCC,[Mg+2].CCO[Al-](OCC)(OCC)OCC.CCO[Al-](OCC)(OCC)OCC,"InChI=1/8C2H5O.2Al.Mg/c8*1-2-3;;;/h8*2H2,1H3;;;/q8*-1;2*+3;+2/r2C8H20AlO4.Mg/c2*1-5-10-9(11-6-2,12-7-3)13-8-4;/h2*5-8H2,1-4H3;/q2*-1;+2",C8H20AlO4.1/2Mg,,,,,,RBJUOTMGIYMRKO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.415,277-480-5,73486-92-7,Cyclohexyl p-methoxycinnamate,cyclohexyl 3-(4-methoxyphenyl)acrylate,COc1ccc(\\C=C\\C(=O)OC2CCCCC2)cc1,COc1ccc(\C=C\C(=O)OC2CCCCC2)cc1,"InChI=1/C16H20O3/c1-18-14-10-7-13(8-11-14)9-12-16(17)19-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3",C16H20O3,,,,,,FGEUKKGODAGXOD-FMIVXFBMSA-N,,,,,,,,,,,
100.070.417,277-482-6,73494-49-2,(R)-a-methylbenzenebutanol,5-phenylpentan-2-ol,C[C@@H](O)CCCc1ccccc1,C[C@@H](O)CCCc1ccccc1,"InChI=1/C11H16O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3",C11H16O,,,,,,ZFVFQRLBTBBQSK-SNVBAGLBSA-N,,,,,,,,,,,
100.053.931,259-344-7,54783-25-4,"Ethyl 3-(4,8-dimethylnonyl)-3-methyloxirane-2-carboxylate","ethyl 3-(4,8-dimethylnonyl)-3-methyloxirane-2-carboxylate",CCOC(=O)C1OC1(C)CCCC(C)CCCC(C)C,CCOC(=O)C1OC1(C)CCCC(C)CCCC(C)C,"InChI=1/C17H32O3/c1-6-19-16(18)15-17(5,20-15)12-8-11-14(4)10-7-9-13(2)3/h13-15H,6-12H2,1-5H3",C17H32O3,,,,,,CZTQWRCUYARWGN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.933,259-346-8,54784-12-2,4-hexyloxynaphthalene-1-carbaldehyde,4-(hexyloxy)-1-naphthaldehyde,CCCCCCOc1ccc(C=O)c2ccccc12,CCCCCCOc1ccc(C=O)c2ccccc12,"InChI=1/C17H20O2/c1-2-3-4-7-12-19-17-11-10-14(13-18)15-8-5-6-9-16(15)17/h5-6,8-11,13H,2-4,7,12H2,1H3",C17H20O2,,,,,,SSKUHEBJZPVKCK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.935,259-348-9,54786-86-6,Octahydro-2-nitrosocyclopenta[c]pyrrole,2-nitrosooctahydrocyclopenta[c]pyrrole,O=NN1CC2CCCC2C1,O=NN1CC2CCCC2C1,"InChI=1/C7H12N2O/c10-8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2",C7H12N2O,,,,,,FSCBDDOKZIRLCN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.950,259-365-1,54828-63-6,6-bromo-1-methoxynaphthalene,6-bromo-1-methoxynaphthalene,COc1cccc2cc(Br)ccc12,COc1cccc2cc(Br)ccc12,"InChI=1/C11H9BrO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-7H,1H3",C11H9BrO,,,,,,SKRSSNLRBLWLCE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.952,259-367-2,54830-99-8,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl acetate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yl acetate",CC(=O)OC1C=CC2C3CCC(C3)C12,CC(=O)OC1C=CC2C3CCC(C3)C12,"InChI=1/C12H16O2/c1-7(13)14-11-5-4-10-8-2-3-9(6-8)12(10)11/h4-5,8-12H,2-3,6H2,1H3",C12H16O2,,,,,,IWKVBDHPANGKEX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.954,259-369-3,54839-22-4,Phenyl 4-chlorobutyrate,phenyl 4-chlorobutanoate,ClCCCC(=O)Oc1ccccc1,ClCCCC(=O)Oc1ccccc1,"InChI=1/C10H11ClO2/c11-8-4-7-10(12)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",C10H11ClO2,,,,,,PGNJLBWZQUKEHW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.956,259-371-4,54839-25-7,2-(isopropyloxy)-1-methylethyl acetate,2-isopropoxy-1-methylethyl acetate,CC(C)OCC(C)OC(=O)C,CC(C)OCC(C)OC(=O)C,"InChI=1/C8H16O3/c1-6(2)10-5-7(3)11-8(4)9/h6-7H,5H2,1-4H3",C8H16O3,,,,,,JQTIDYJFCNWJFO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.960,259-376-1,54854-14-7,"9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium tetrafluoroborate","9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium tetrafluoroborate",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.F[B-](F)(F)F,CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.F[B-](F)(F)F,"InChI=1/C28H31N2O3.BF4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29-30H,6-8H2,1-5H3;/q+1;-1",C28H31N2O3.BF4,,,,,,UMSPOHHCMOJELW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.965,259-381-9,54868-48-3,"(E)-5-isopropyl-8-methylnona-6,8-dien-2-one","5-isopropyl-8-methylnona-6,8-dien-2-one",CC(C)C(CCC(=O)C)\\C=C\\C(=C)C,CC(C)C(CCC(=O)C)\C=C\C(=C)C,"InChI=1/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3",C13H22O,,,,,,PQDRXUSSKFWCFA-SOFGYWHQSA-N,,,,,,,,,,,
100.053.972,259-389-2,54903-50-3,"4,5,6,7-tetrahydrothieno[3,2-c]pyridine","4,5,6,7-tetrahydrothieno[3,2-c]pyridine",C1Cc2sccc2CN1,C1Cc2sccc2CN1,"InChI=1/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2",C7H9NS,,,,,,OGUWOLDNYOTRBO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.702,279-996-6,82568-63-6,N-(4-hydroxyphenyl)heptan-1-amide,N-(4-hydroxyphenyl)heptanamide,CCCCCCC(=O)Nc1ccc(O)cc1,CCCCCCC(=O)Nc1ccc(O)cc1,"InChI=1/C13H19NO2/c1-2-3-4-5-6-13(16)14-11-7-9-12(15)10-8-11/h7-10,15H,2-6H2,1H3,(H,14,16)",C13H19NO2,,,,,,QJMZEFAKAHFNRX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.703,279-997-1,82571-94-6,4-methoxy-3-nitrophenyl phenyl ketone,(4-methoxy-3-nitrophenyl)(phenyl)methanone,COc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2,COc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2,"InChI=1/C14H11NO4/c1-19-13-8-7-11(9-12(13)15(17)18)14(16)10-5-3-2-4-6-10/h2-9H,1H3",C14H11NO4,,,,,,PDAVXJYHYUUFEY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.725,280-021-1,82760-41-6,Ethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-3-bromo-5-nitrobenzoate,ethyl 4-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-3-bromo-5-nitrobenzoate,Brc2cc(cc(c2N=Nc1ccc(cc1)N(CCO)CCO)[N+]([O-])=O)C(=O)OCC,Brc2cc(cc(c2N=Nc1ccc(cc1)N(CCO)CCO)[N+]([O-])=O)C(=O)OCC,"InChI=1/C19H21BrN4O6/c1-2-30-19(27)13-11-16(20)18(17(12-13)24(28)29)22-21-14-3-5-15(6-4-14)23(7-9-25)8-10-26/h3-6,11-12,25-26H,2,7-10H2,1H3",C19H21BrN4O6,,,,,,FWMDHAPEUZTMJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.126,278-262-2,75578-78-8,"3-benzoyl-2,6-dihydroxyphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","3-benzoyl-2,6-dihydroxyphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Oc1ccc(C(=O)c2ccccc2)c(O)c1OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34,Oc1ccc(C(=O)c2ccccc2)c(O)c1OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34,"InChI=1/C23H14N2O7S/c24-25-17-11-9-14-15(21(17)28)7-4-8-19(14)33(30,31)32-23-18(26)12-10-16(22(23)29)20(27)13-5-2-1-3-6-13/h1-12,26,29H",C23H14N2O7S,,,,,,ZPLLAXXNFHOLCF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.134,278-271-1,75627-15-5,2-[4-[[4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-2-methylphenyl]azo]phenoxy]ethyl sodium sulphate,sodium 2-(4-{[4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-2-methylphenyl]diazenyl}phenoxy)ethyl sulfate,[Na+].CCN(CCC#N)c1ccc(cc1)N=Nc3ccc(N=Nc2ccc(OCCOS([O-])(=O)=O)cc2)c(C)c3,[Na+].CCN(CCC#N)c1ccc(cc1)N=Nc3ccc(N=Nc2ccc(OCCOS([O-])(=O)=O)cc2)c(C)c3,"InChI=1/C26H28N6O5S.Na/c1-3-32(16-4-15-27)24-10-5-21(6-11-24)28-30-23-9-14-26(20(2)19-23)31-29-22-7-12-25(13-8-22)36-17-18-37-38(33,34)35;/h5-14,19H,3-4,16-18H2,1-2H3,(H,33,34,35);/q;+1/p-1",C26H28N6O5S.Na,,,,,,SFSQQVSTVHUNRS-UHFFFAOYSA-M,,,,,,,,,,,
100.071.325,278-480-8,76497-39-7,(S)-3-(acetylthio)-2-methylpropionic acid,3-(acetylsulfanyl)-2-methylpropanoic acid,C[C@H](CSC(=O)C)C(=O)O,C[C@H](CSC(=O)C)C(=O)O,"InChI=1/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)",C6H10O3S,,,,,,VFVHNRJEYQGRGE-SCSAIBSYSA-N,,,,,,,,,,,
100.071.330,278-486-0,76535-71-2,"6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino[2,3-c]pyrrol-5-yl 4-propionylpiperazine-1-carboxylate","6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-propionylpiperazine-1-carboxylate",CCC(=O)N1CCN(CC1)C(=O)OC2N(C(=O)C3=C2SCCS3)c4ccc5ccc(Cl)nc5n4,CCC(=O)N1CCN(CC1)C(=O)OC2N(C(=O)C3=C2SCCS3)c4ccc5ccc(Cl)nc5n4,"InChI=1/C22H22ClN5O4S2/c1-2-16(29)26-7-9-27(10-8-26)22(31)32-21-18-17(33-11-12-34-18)20(30)28(21)15-6-4-13-3-5-14(23)24-19(13)25-15/h3-6,21H,2,7-12H2,1H3",C22H22ClN5O4S2,,,,,,IBAUKGNDWVSETP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.338,278-494-4,76596-57-1,"3-bromo-a-[[(1,1-dimethylethyl)amino]methyl]isoxazole-5-methanol",1-(3-bromoisoxazol-5-yl)-2-(tert-butylamino)ethanol,CC(C)(C)NCC(O)c1onc(Br)c1,CC(C)(C)NCC(O)c1onc(Br)c1,"InChI=1/C9H15BrN2O2/c1-9(2,3)11-5-6(13)7-4-8(10)12-14-7/h4,6,11,13H,5H2,1-3H3",C9H15BrN2O2,,,,,,JBRBWHCVRGURBA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.355,278-513-6,76649-20-2,3-methyl-2-pentylcyclopentan-1-ol,3-methyl-2-pentylcyclopentanol,CCCCCC1C(C)CCC1O,CCCCCC1C(C)CCC1O,"InChI=1/C11H22O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h9-12H,3-8H2,1-2H3",C11H22O,,,,,,AASLUBJZRBOXBK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.359,278-517-8,76649-24-6,"1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pentan-1-one","1-(2,6,6-trimethylcyclohex-1-en-1-yl)pentan-1-one",CCCCC(=O)C1=C(C)CCCC1(C)C,CCCCC(=O)C1=C(C)CCCC1(C)C,"InChI=1/C14H24O/c1-5-6-9-12(15)13-11(2)8-7-10-14(13,3)4/h5-10H2,1-4H3",C14H24O,,,,,,HEMHFUODSZBALC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.366,278-525-1,76697-43-3,1-nitro-2-(propylsulphonyl)benzene,1-nitro-2-(propylsulfonyl)benzene,CCCS(=O)(=O)c1ccccc1[N+](=O)[O-],CCCS(=O)(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C9H11NO4S/c1-2-7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3",C9H11NO4S,,,,,,VXRVZVNWVDJRGL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.173,280-513-6,83682-25-1,N-(4-chloro-2-methylphenyl)-4-[(2-chloro-6-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide,N-(4-chloro-2-methylphenyl)-4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxy-2-naphthamide,Clc4cccc(C)c4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(Cl)cc1C)c2O,Clc4cccc(C)c4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(Cl)cc1C)c2O,"InChI=1/C25H19Cl2N3O2/c1-14-6-5-9-20(27)22(14)29-30-23-18-8-4-3-7-16(18)13-19(24(23)31)25(32)28-21-11-10-17(26)12-15(21)2/h3-13,31H,1-2H3,(H,28,32)",C25H19Cl2N3O2,,,,,,GVMQDKQWBDVOMI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.180,280-520-4,83688-85-1,"1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol hydrochloride","1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol hydrochloride",Cl.CC(C)(C)NCC(O)COc1cccc2CCCSc12,Cl.CC(C)(C)NCC(O)COc1cccc2CCCSc12,"InChI=1/C16H25NO2S.ClH/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14;/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3;1H",C16H25NO2S.ClH,,,,,,LPBCJDNVLKNRAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.181,280-522-5,83704-03-4,"3-[(1,1-dimethylethoxy)methyl]heptane",tert-butyl 2-ethylhexyl ether,CCCCC(CC)COC(C)(C)C,CCCCC(CC)COC(C)(C)C,"InChI=1/C12H26O/c1-6-8-9-11(7-2)10-13-12(3,4)5/h11H,6-10H2,1-5H3",C12H26O,,,,,,JATPQYIRMHQKTK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.186,280-527-2,83706-51-8,4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidinium chloride,4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidinium chloride,[Cl-].OC1(CC[NH2+]CC1)c2ccc(Cl)c(c2)C(F)(F)F,[Cl-].OC1(CC[NH2+]CC1)c2ccc(Cl)c(c2)C(F)(F)F,"InChI=1/C12H13ClF3NO.ClH/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11;/h1-2,7,17-18H,3-6H2;1H",C12H13ClF3NO.ClH,,,,,,DRENJOZPZMMGIS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.075,282-609-3,84255-58-3,1-methyl-3-[(1-phenylethyl)phenyl]indan,1-methyl-3-[2-(1-phenylethyl)phenyl]indane,CC(c1ccccc1)c2ccccc2C3CC(C)c4ccccc34,CC(c1ccccc1)c2ccccc2C3CC(C)c4ccccc34,"InChI=1/C24H24/c1-17-16-24(22-14-8-6-12-20(17)22)23-15-9-7-13-21(23)18(2)19-10-4-3-5-11-19/h3-15,17-18,24H,16H2,1-2H3",C24H24,,,,,,AFRNTNXQRVUPKW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.935,256-047-4,43016-78-0,2-(dimethylamino)ethyl myristate,2-(dimethylamino)ethyl myristate,CCCCCCCCCCCCCC(=O)OCCN(C)C,CCCCCCCCCCCCCC(=O)OCCN(C)C,"InChI=1/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19(2)3/h4-17H2,1-3H3",C18H37NO2,,,,,,WVTLMDGNANZSAT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.942,256-055-8,43039-86-7,Di-tert-butyl peroxyhexahydroterephthalate,"di-tert-butyl cyclohexane-1,4-dicarboperoxoate",CC(C)(C)OOC(=O)C1CCC(CC1)C(=O)OOC(C)(C)C,CC(C)(C)OOC(=O)C1CCC(CC1)C(=O)OOC(C)(C)C,"InChI=1/C16H28O6/c1-15(2,3)21-19-13(17)11-7-9-12(10-8-11)14(18)20-22-16(4,5)6/h11-12H,7-10H2,1-6H3",C16H28O6,,,,,,CIKJANOSDPPCAU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.947,256-061-0,43047-20-7,2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethanol,2-({2-chloro-4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethanol,Clc1cc(ccc1NCCO)N=Nc2ccc(cc2)[N+]([O-])=O,Clc1cc(ccc1NCCO)N=Nc2ccc(cc2)[N+]([O-])=O,"InChI=1/C14H13ClN4O3/c15-13-9-11(3-6-14(13)16-7-8-20)18-17-10-1-4-12(5-2-10)19(21)22/h1-6,9,16,20H,7-8H2",C14H13ClN4O3,,,,,,YTUZNWQICJBTHL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.341,258-694-8,53676-18-9,"2,5-dichlorophenyl dichlorophosphate","2,5-dichlorophenyl dichlorophosphate",Clc1ccc(Cl)c(OP(=O)(Cl)Cl)c1,Clc1ccc(Cl)c(OP(=O)(Cl)Cl)c1,"InChI=1/C6H3Cl4O2P/c7-4-1-2-5(8)6(3-4)12-13(9,10)11/h1-3H",C6H3Cl4O2P,,,,,,LYUNTJUPGQYMJD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.348,258-703-5,53684-61-0,"Dicalcium iron(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]","dicalcium iron(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]",[Ca+2].[Ca+2].[Fe+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ca+2].[Ca+2].[Fe+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.2Ca.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.Ca.1/2Fe,,,,,,HSBFYEQJGSVAJW-UHFFFAOYSA-H,,,,,,,,,,,
100.053.350,258-705-6,53685-77-1,Heptadecan-4-one,heptadecan-4-one,CCCCCCCCCCCCCC(=O)CCC,CCCCCCCCCCCCCC(=O)CCC,"InChI=1/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3-16H2,1-2H3",C17H34O,,,,,,UIDOOQRSFZDBLK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.351,258-706-1,53700-79-1,Acenaphthene-5-sulphonic acid,"1,2-dihydroacenaphthylene-5-sulfonic acid",OS(=O)(=O)c1ccc2CCc3cccc1c23,OS(=O)(=O)c1ccc2CCc3cccc1c23,"InChI=1/C12H10O3S/c13-16(14,15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,13,14,15)",C12H10O3S,,,,,,XXACHQRFXDSJNO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.359,258-715-0,53718-26-6,"1,1,3,3-tetramethylindan-5-ol","1,1,3,3-tetramethylindan-5-ol",CC1(C)CC(C)(C)c2cc(O)ccc12,CC1(C)CC(C)(C)c2cc(O)ccc12,"InChI=1/C13H18O/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12/h5-7,14H,8H2,1-4H3",C13H18O,,,,,,OJCRKGPORQMMRN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.362,258-718-7,53718-29-9,"1,1,3,3,7-pentamethylindan-5-ol","1,1,3,3,7-pentamethylindan-5-ol",Cc1cc(O)cc2c1C(C)(C)CC2(C)C,Cc1cc(O)cc2c1C(C)(C)CC2(C)C,"InChI=1/C14H20O/c1-9-6-10(15)7-11-12(9)14(4,5)8-13(11,2)3/h6-7,15H,8H2,1-5H3",C14H20O,,,,,,YUORWRHMCJCLRK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.371,258-728-1,53723-88-9,"[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid","[(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid",OC(=O)CSC1=NNC(=S)S1,OC(=O)CSC1=NNC(=S)S1,"InChI=1/C4H4N2O2S3/c7-2(8)1-10-4-6-5-3(9)11-4/h1H2,(H,5,9)(H,7,8)",C4H4N2O2S3,,,,,,UJBXVTJYSIDCIE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.257,253-100-3,36556-55-5,"1-chloro-3,5-difluoro-2-nitrobenzene","1-chloro-3,5-difluoro-2-nitrobenzene",[O-][N+](=O)c1c(F)cc(F)cc1Cl,[O-][N+](=O)c1c(F)cc(F)cc1Cl,InChI=1/C6H2ClF2NO2/c7-4-1-3(8)2-5(9)6(4)10(11)12/h1-2H,C6H2ClF2NO2,,,,,,MWYQVPGRHISKQU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.898,252-703-9,35732-94-6,[R-(Z)]-12-hydroxy-9-octadecenamide,12-hydroxyoctadec-9-enamide,CCCCCCC(O)CC=CCCCCCCCC(=O)N,CCCCCCC(O)CC=CCCCCCCCC(=O)N,"InChI=1/C18H35NO2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21/h9,12,17,20H,2-8,10-11,13-16H2,1H3,(H2,19,21)",C18H35NO2,,,,,,VSKRSEHLMRRKOS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.912,252-719-6,35771-65-4,"5-furyl-1,2-dihydro-3H-1,2,4-triazole-3-thione","5-(2-furyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione",S=C1NNC(=N1)c2occc2,S=C1NNC(=N1)c2occc2,"InChI=1/C6H5N3OS/c11-6-7-5(8-9-6)4-2-1-3-10-4/h1-3H,(H2,7,8,9,11)",C6H5N3OS,,,,,,PQFBWTHPDGFZBD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.913,252-720-1,35772-43-1,8-aza-3-hydroxy-N-methylbicyclo[3.2.1]octane N-oxide dihydrate,8-methyl-8-azabicyclo[3.2.1]octan-3-ol 8-oxide,CN1(=O)C2CCC1CC(O)C2,CN1(=O)C2CCC1CC(O)C2,"InChI=1/C8H15NO2/c1-9(11)6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3",C8H15NO2,,,,,,AGFHIYSVIRKUQX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.916,252-723-8,35778-58-6,5-[p-(diethylamino)benzylidene]-2-thioxothiazolidin-4-one,"5-[4-(diethylamino)benzylidene]-2-thioxo-1,3-thiazolidin-4-one",O=C2NC(=S)SC2=Cc1ccc(cc1)N(CC)CC,O=C2NC(=S)SC2=Cc1ccc(cc1)N(CC)CC,"InChI=1/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)",C14H16N2OS2,,,,,,CWQLQYNQWCTDQF-UHFFFAOYSA-N,,,,,,,,,,,
100.075.074,282-608-8,84255-57-2,[1-(2-ethylphenyl)ethyl](1-phenylethyl)benzene,1-ethyl-2-{1-[2-(1-phenylethyl)phenyl]ethyl}benzene,CCc1ccccc1C(C)c2ccccc2C(C)c3ccccc3,CCc1ccccc1C(C)c2ccccc2C(C)c3ccccc3,"InChI=1/C24H26/c1-4-20-12-8-9-15-22(20)19(3)24-17-11-10-16-23(24)18(2)21-13-6-5-7-14-21/h5-19H,4H2,1-3H3",C24H26,,,,,,VRJIEIJMFRIVPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.077,282-611-4,84255-60-7,1-methyl-3-phenyl(1-phenylethyl)indan,1-methyl-3-phenyl-1-(1-phenylethyl)indane,CC(c1ccccc1)C2(C)CC(c3ccccc3)c4ccccc24,CC(c1ccccc1)C2(C)CC(c3ccccc3)c4ccccc24,"InChI=1/C24H24/c1-18(19-11-5-3-6-12-19)24(2)17-22(20-13-7-4-8-14-20)21-15-9-10-16-23(21)24/h3-16,18,22H,17H2,1-2H3",C24H24,,,,,,KWUNDYOLBBLGIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.147,278-285-8,75641-06-4,1-pentafluorobenzoyl-1H-imidazole,1-(pentafluorobenzoyl)-1H-imidazole,Fc1c(F)c(F)c(C(=O)n2ccnc2)c(F)c1F,Fc1c(F)c(F)c(C(=O)n2ccnc2)c(F)c1F,InChI=1/C10H3F5N2O/c11-5-4(10(18)17-2-1-16-3-17)6(12)8(14)9(15)7(5)13/h1-3H,C10H3F5N2O,,,,,,DOLREFXBQXCDOR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.149,278-287-9,75655-06-0,"2-cyano-2-[3-[[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]amino]-1H-isoindol-1-ylidene]acetamide","2-cyano-2-(3-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]amino}-1H-isoindol-1-ylidene)acetamide",O=C2c1ccccc1C(=O)N2c3ccc(cc3)N/C4=N/C(c5ccccc45)=C(C#N)C(N)=O,O=C2c1ccccc1C(=O)N2c3ccc(cc3)N/C4=N/C(c5ccccc45)=C(C#N)C(N)=O,"InChI=1/C25H15N5O3/c26-13-20(22(27)31)21-16-5-1-2-6-17(16)23(29-21)28-14-9-11-15(12-10-14)30-24(32)18-7-3-4-8-19(18)25(30)33/h1-12H,(H2,27,31)(H,28,29)",C25H15N5O3,,,,,,XHTAFVMLAHEELK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.152,278-291-0,75693-75-3,"3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid","7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid",OC(CCN1C(CCCCCCC(=O)O)C(=O)NC1=O)C2CCCCC2,OC(CCN1C(CCCCCCC(=O)O)C(=O)NC1=O)C2CCCCC2,"InChI=1/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)",C19H32N2O5,,,,,,ZIDQIOZJEJFMOH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.157,278-296-8,75718-12-6,"Aldehydes, C9-11",decanal,CCCCCCCCCC=O,CCCCCCCCCC=O,"InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",-,,,,,,KSMVZQYAVGTKIV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.159,278-298-9,75734-94-0,"3-(pentabromophenoxy)propane-1,2-diol","3-(pentabromophenoxy)propane-1,2-diol",OCC(O)COc1c(Br)c(Br)c(Br)c(Br)c1Br,OCC(O)COc1c(Br)c(Br)c(Br)c(Br)c1Br,"InChI=1/C9H7Br5O3/c10-4-5(11)7(13)9(8(14)6(4)12)17-2-3(16)1-15/h3,15-16H,1-2H2",C9H7Br5O3,,,,,,KACYAXNCQAHKOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.179,278-320-7,75815-22-4,2-bromo-2'-chloropropiophenone,2-bromo-1-(2-chlorophenyl)propan-1-one,CC(Br)C(=O)c1ccccc1Cl,CC(Br)C(=O)c1ccccc1Cl,"InChI=1/C9H8BrClO/c1-6(10)9(12)7-4-2-3-5-8(7)11/h2-6H,1H3",C9H8BrClO,,,,,,QXBPNBFQCNGDTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.369,278-528-8,76713-19-4,"Lauric acid, compound with benzylamine (1:1)",dodecanoic acid - 1-phenylmethanamine (1:1),CCCCCCCCCCCC(=O)O.NCc1ccccc1,CCCCCCCCCCCC(=O)O.NCc1ccccc1,"InChI=1/C12H24O2.C7H9N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;8-6-7-4-2-1-3-5-7/h2-11H2,1H3,(H,13,14);1-5H,6,8H2",C12H24O2.C7H9N,,,,,,IBLZPNXZXJIWKA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.371,278-530-9,76721-60-3,Lithium butyltrioctylaluminate,lithium butyl(trioctyl)aluminate(1-),[Li+].CCCCCCCC[Al-](CCCC)(CCCCCCCC)CCCCCCCC,[Li+].CCCCCCCC[Al-](CCCC)(CCCCCCCC)CCCCCCCC,"InChI=1/3C8H17.C4H9.Al.Li/c3*1-3-5-7-8-6-4-2;1-3-4-2;;/h3*1,3-8H2,2H3;1,3-4H2,2H3;;/q;;;;-1;+1/rC28H60Al.Li/c1-5-9-13-16-19-22-26-29(25-12-8-4,27-23-20-17-14-10-6-2)28-24-21-18-15-11-7-3;/h5-28H2,1-4H3;/q-1;+1",C28H60Al.Li,,,,,,NNZUUGQOENLQLT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.372,278-531-4,76732-75-7,Picartamide,N-methyl-2-pyridin-2-yltetrahydrothiophene-2-carbothioamide,CNC(=S)C1(CCCS1)c2ccccn2,CNC(=S)C1(CCCS1)c2ccccn2,"InChI=1/C11H14N2S2/c1-12-10(14)11(6-4-8-15-11)9-5-2-3-7-13-9/h2-3,5,7H,4,6,8H2,1H3,(H,12,14)",C11H14N2S2,,,,,,ITNLONMDUMHEOK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.001,280-324-9,83249-54-1,N-[2-[(2-bromo-6-cyano-p-tolyl)azo]-5-(dipropylamino)phenyl]methanesulphonamide,N-{2-[(2-bromo-6-cyano-4-methylphenyl)diazenyl]-5-(dipropylamino)phenyl}methanesulfonamide,Brc2cc(C)cc(C#N)c2N=Nc1ccc(cc1NS(C)(=O)=O)N(CCC)CCC,Brc2cc(C)cc(C#N)c2N=Nc1ccc(cc1NS(C)(=O)=O)N(CCC)CCC,"InChI=1/C21H26BrN5O2S/c1-5-9-27(10-6-2)17-7-8-19(20(13-17)26-30(4,28)29)24-25-21-16(14-23)11-15(3)12-18(21)22/h7-8,11-13,26H,5-6,9-10H2,1-4H3",C21H26BrN5O2S,,,,,,PRJALBAUHIQRTE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.022,280-347-4,83258-29-1,"1-(1,3-dimethyl-3-cyclohexen-1-yl)-2-buten-1-one","1-(1,3-dimethylcyclohex-3-en-1-yl)but-2-en-1-one",O=C(C=CC)C1(C)CC(/C)=C\\CC1,O=C(C=CC)C1(C)CC(/C)=C\CC1,"InChI=1/C12H18O/c1-4-6-11(13)12(3)8-5-7-10(2)9-12/h4,6-7H,5,8-9H2,1-3H3",C12H18O,,,,,,BMFCEYAPYSRQSY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.213,280-557-6,83711-59-5,2-[(4-bromophenyl)chloromethylene]-4-chlorobutyraldehyde,2-[(4-bromophenyl)(chloro)methylene]-4-chlorobutanal,ClC(c1ccc(Br)cc1)=C(C=O)CCCl,ClC(c1ccc(Br)cc1)=C(C=O)CCCl,"InChI=1/C11H9BrCl2O/c12-10-3-1-8(2-4-10)11(14)9(7-15)5-6-13/h1-4,7H,5-6H2",C11H9BrCl2O,,,,,,CBRXFWBPFNISMO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.728,280-024-8,82760-90-5,2-imino-a-(m-nitrophenyl)thiazolidin-3-ethanol monohydrochloride,"2-(2-imino-1,3-thiazolidin-3-yl)-1-(3-nitrophenyl)ethanol hydrochloride",Cl.OC(CN1CCSC1=N)c2cccc(c2)[N+](=O)[O-],Cl.OC(CN1CCSC1=N)c2cccc(c2)[N+](=O)[O-],"InChI=1/C11H13N3O3S.ClH/c12-11-13(4-5-18-11)7-10(15)8-2-1-3-9(6-8)14(16)17;/h1-3,6,10,12,15H,4-5,7H2;1H",C11H13N3O3S.ClH,,,,,,SYQQNBJKXVPKIF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.645,251-325-1,32997-23-2,"2,4,6-trichloro-2,2,4,4,6,6-hexahydro-2,4,6-trimethyl-1,2,3,4,5,6-triazatriphosphorine","2,4,6-trichloro-2,4,6-trimethyl-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine",Cp1(Cl)np(C)(Cl)np(C)(Cl)n1,Cp1(Cl)np(C)(Cl)np(C)(Cl)n1,"InChI=1/C3H9Cl3N3P3/c1-10(4)7-11(2,5)9-12(3,6)8-10/h1-3H3",C3H9Cl3N3P3,,,,,,VPNVMOLPYOYPSW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.649,251-329-3,33005-95-7,Tiaprofenic acid,2-(5-benzoyl-2-thienyl)propanoic acid,CC(C(=O)O)c1ccc(s1)C(=O)c2ccccc2,CC(C(=O)O)c1ccc(s1)C(=O)c2ccccc2,"InChI=1/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)",C14H12O3S,,,,,,GUHPRPJDBZHYCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.659,251-340-3,33008-68-3,"1-[1-(2,4-dichloro-6-methoxyphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]-3-(4-dodecylphenyl)urea","1-[1-(2,4-dichloro-6-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-dodecylphenyl)urea",CCCCCCCCCCCCc1ccc(NC(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3OC)cc1,CCCCCCCCCCCCc1ccc(NC(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3OC)cc1,"InChI=1/C29H38Cl2N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-23(17-15-21)32-29(37)33-26-20-27(36)35(34-26)28-24(31)18-22(30)19-25(28)38-2/h14-19H,3-13,20H2,1-2H3,(H2,32,33,34,37)",C29H38Cl2N4O3,,,,,,QKNRRHFGTUTFFW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.663,251-345-0,33018-83-6,N-(2-hydroxyethyl)-N-methylguanidinium phosphate,tris(N-carbamimidoyl-2-hydroxy-N-methylethanaminium) phosphate,C[NH+](CCO)C(=N)N.C[NH+](CCO)C(=N)N.C[NH+](CCO)C(=N)N.[O-]P(=O)([O-])[O-],C[NH+](CCO)C(=N)N.C[NH+](CCO)C(=N)N.C[NH+](CCO)C(=N)N.[O-]P(=O)([O-])[O-],"InChI=1/3C4H11N3O.H3O4P/c3*1-7(2-3-8)4(5)6;1-5(2,3)4/h3*8H,2-3H2,1H3,(H3,5,6);(H3,1,2,3,4)",C4H11N3O.H3O4P,,,,,,HZTNOPUNRWPEMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.668,251-350-8,33028-06-7,"Cytidine, cytidylyl-(3'<U+2192>5')-, mono(hydrogen phosphonate) (ester)",-,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(CO)OC3N4C=CC(=NC4=O)N)C(O)C2OP(=O)O,NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3C(O)C(CO)OC3N4C=CC(=NC4=O)N)C(O)C2OP(=O)O,"InChI=1/C18H26N6O14P2/c19-9-1-3-23(17(28)21-9)15-13(37-39(30)31)12(27)8(36-15)6-34-40(32,33)38-14-11(26)7(5-25)35-16(14)24-4-2-10(20)22-18(24)29/h1-4,7-8,11-16,25-27,39H,5-6H2,(H,30,31)(H,32,33)(H2,19,21,28)(H2,20,22,29)",C18H26N6O14P2,,,,,,RNUCUEKDNBAOGR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.671,251-353-4,33034-18-3,"4-(p-dimethylaminophenyl)-2,6-diphenylthiopyrylium hexafluorophosphate","4-[4-(dimethylamino)phenyl]-2,6-diphenylthiopyrylium hexafluorophosphate",CN(C)c1ccc(cc1)c2cc([s+]c(c2)c3ccccc3)c4ccccc4.F[P-](F)(F)(F)(F)F,CN(C)c1ccc(cc1)c2cc([s+]c(c2)c3ccccc3)c4ccccc4.F[P-](F)(F)(F)(F)F,"InChI=1/C25H22NS.F6P/c1-26(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)27-25(18-22)21-11-7-4-8-12-21;1-7(2,3,4,5)6/h3-18H,1-2H3;/q+1;-1",C25H22NS.F6P,,,,,,RUQAOLSMSHPYDN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.673,251-356-0,33037-40-0,Butan-2-one tert-butylhydrazone,1-tert-butyl-2-(1-methylpropylidene)hydrazine,CC(C)(C)NN=C(C)CC,CC(C)(C)NN=C(C)CC,"InChI=1/C8H18N2/c1-6-7(2)9-10-8(3,4)5/h10H,6H2,1-5H3",C8H18N2,,,,,,BGYROZINELAMHD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.674,251-357-6,33045-02-2,"[1R-(1a,3a,5a)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate","6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate",CC(=O)OC1CC2CC(C1=C)C2(C)C,CC(=O)OC1CC2CC(C1=C)C2(C)C,"InChI=1/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3",C12H18O2,,,,,,UDBAGFUFASPUFS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.676,251-359-7,33045-53-3,Ethyl 5-sulphamoyl-o-anisate,ethyl 2-methoxy-5-sulfamoylbenzoate,CCOC(=O)c1cc(ccc1OC)S(=O)(=O)N,CCOC(=O)c1cc(ccc1OC)S(=O)(=O)N,"InChI=1/C10H13NO5S/c1-3-16-10(12)8-6-7(17(11,13)14)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H2,11,13,14)",C10H13NO5S,,,,,,ZQSFLXDMGBSJKV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.686,251-370-7,33079-56-0,"3,4,4-trimethylcyclopentane-1,2-dione","3,4,4-trimethylcyclopentane-1,2-dione",CC1C(=O)C(=O)CC1(C)C,CC1C(=O)C(=O)CC1(C)C,"InChI=1/C8H12O2/c1-5-7(10)6(9)4-8(5,2)3/h5H,4H2,1-3H3",C8H12O2,,,,,,YHJBEOWTWJHMFC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.455,277-523-8,73514-87-1,Fosarilate,diethyl [6-(2-chloro-4-methoxyphenoxy)hexyl]phosphonate,CCOP(=O)(CCCCCCOc1ccc(OC)cc1Cl)OCC,CCOP(=O)(CCCCCCOc1ccc(OC)cc1Cl)OCC,"InChI=1/C17H28ClO5P/c1-4-22-24(19,23-5-2)13-9-7-6-8-12-21-17-11-10-15(20-3)14-16(17)18/h10-11,14H,4-9,12-13H2,1-3H3",C17H28ClO5P,,,,,,QDGWHHFJDHIIOS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.457,277-525-9,73525-13-0,2-amino-5-[(3-aminobenzoyl)amino]benzenesulphonic acid,2-amino-5-[(3-aminobenzoyl)amino]benzenesulfonic acid,Nc1cccc(c1)C(=O)Nc2ccc(N)c(c2)S(=O)(=O)O,Nc1cccc(c1)C(=O)Nc2ccc(N)c(c2)S(=O)(=O)O,"InChI=1/C13H13N3O4S/c14-9-3-1-2-8(6-9)13(17)16-10-4-5-11(15)12(7-10)21(18,19)20/h1-7H,14-15H2,(H,16,17)(H,18,19,20)",C13H13N3O4S,,,,,,MGDIZTOOMTZXQA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.170,278-310-2,75784-65-5,tert-butyl p-(dimethylamino)benzoate,tert-butyl 4-(dimethylamino)benzoate,CN(C)c1ccc(cc1)C(=O)OC(C)(C)C,CN(C)c1ccc(cc1)C(=O)OC(C)(C)C,"InChI=1/C13H19NO2/c1-13(2,3)16-12(15)10-6-8-11(9-7-10)14(4)5/h6-9H,1-5H3",C13H19NO2,,,,,,VIENHFOQVALVRD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.172,278-312-3,75790-84-0,5-(p-isocyanatobenzyl)-o-tolyl isocyanate,2-isocyanato-4-(4-isocyanatobenzyl)-1-methylbenzene,Cc1ccc(Cc2ccc(cc2)N=C=O)cc1N=C=O,Cc1ccc(Cc2ccc(cc2)N=C=O)cc1N=C=O,"InChI=1/C16H12N2O2/c1-12-2-3-14(9-16(12)18-11-20)8-13-4-6-15(7-5-13)17-10-19/h2-7,9H,8H2,1H3",C16H12N2O2,,,,,,OYVQDJGKYZFGDE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.174,278-314-4,75797-21-6,"1,2,4-tris(2-hydroxyethyl)-1,2,4-triazolidine-3,5-dione","1,2,4-tris(2-hydroxyethyl)-1,2,4-triazolidine-3,5-dione",OCCN1N(CCO)C(=O)N(CCO)C1=O,OCCN1N(CCO)C(=O)N(CCO)C1=O,"InChI=1/C8H15N3O5/c12-4-1-9-7(15)10(2-5-13)11(3-6-14)8(9)16/h12-14H,1-6H2",C8H15N3O5,,,,,,ALVBRJRQOKFZPA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.180,278-321-2,75820-08-5,Zidapamide,"4-chloro-N-(1-methyl-1,3-dihydro-2H-isoindol-2-yl)-3-sulfamoylbenzamide",CC1N(Cc2ccccc12)NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N,CC1N(Cc2ccccc12)NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N,"InChI=1/C16H16ClN3O3S/c1-10-13-5-3-2-4-12(13)9-20(10)19-16(21)11-6-7-14(17)15(8-11)24(18,22)23/h2-8,10H,9H2,1H3,(H,19,21)(H2,18,22,23)",C16H16ClN3O3S,,,,,,BHUKYXOYJMLRAK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.181,278-322-8,75821-71-5,Calcium bis[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-acetate],calcium bis{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetate},[Ca+2].[O-]C(=O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3.[O-]C(=O)Cc4cn(nc4c5ccc(Cl)cc5)c6ccccc6,[Ca+2].[O-]C(=O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3.[O-]C(=O)Cc4cn(nc4c5ccc(Cl)cc5)c6ccccc6,"InChI=1/2C17H13ClN2O2.Ca/c2*18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15;/h2*1-9,11H,10H2,(H,21,22);/q;;+2/p-2",C17H13ClN2O2.1/2Ca,,,,,,CAQGVXNKMLYRMF-UHFFFAOYSA-L,,,,,,,,,,,
100.071.373,278-533-5,76732-76-8,2-(tetrahydro-2-thienyl)pyridine,2-(tetrahydrothiophen-2-yl)pyridine,C1CSC(C1)c2ccccn2,C1CSC(C1)c2ccccn2,"InChI=1/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-2,4,6,9H,3,5,7H2",C9H11NS,,,,,,MCXIBJPBLIURRN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.374,278-534-0,76733-35-2,1-[(hydroxymethyl)amino]propan-2-ol,1-[(hydroxymethyl)amino]propan-2-ol,CC(O)CNCO,CC(O)CNCO,"InChI=1/C4H11NO2/c1-4(7)2-5-3-6/h4-7H,2-3H2,1H3",C4H11NO2,,,,,,QUFZJIHSEXWUQN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.000,280-323-3,83249-53-0,N-[2-[(2-bromo-6-cyano-p-tolyl)azo]-5-(diethylamino)phenyl]methanesulphonamide,N-{2-[(2-bromo-6-cyano-4-methylphenyl)diazenyl]-5-(diethylamino)phenyl}methanesulfonamide,Brc2cc(C)cc(C#N)c2N=Nc1ccc(cc1NS(C)(=O)=O)N(CC)CC,Brc2cc(C)cc(C#N)c2N=Nc1ccc(cc1NS(C)(=O)=O)N(CC)CC,"InChI=1/C19H22BrN5O2S/c1-5-25(6-2)15-7-8-17(18(11-15)24-28(4,26)27)22-23-19-14(12-21)9-13(3)10-16(19)20/h7-11,24H,5-6H2,1-4H3",C19H22BrN5O2S,,,,,,NEAZAYQFKUEDAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.021,280-346-9,83258-28-0,"1-(1,4-dimethyl-3-cyclohexen-1-yl)-2-buten-1-one","1-(1,4-dimethylcyclohex-3-en-1-yl)but-2-en-1-one",O=C(C=CC)C1(C)C\\C=C(\\C)CC1,O=C(C=CC)C1(C)C\C=C(\C)CC1,"InChI=1/C12H18O/c1-4-5-11(13)12(3)8-6-10(2)7-9-12/h4-6H,7-9H2,1-3H3",C12H18O,,,,,,QYSXZPZYXWWJGS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.023,280-349-5,83261-15-8,Isobutyl (S)-2-chloropropionate,isobutyl 2-chloropropanoate,CC(C)COC(=O)[C@H](C)Cl,CC(C)COC(=O)[C@H](C)Cl,"InChI=1/C7H13ClO2/c1-5(2)4-10-7(9)6(3)8/h5-6H,4H2,1-3H3",C7H13ClO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1955,https://echa.europa.eu/substance-information/-/substanceinfo/100.073.023,AEEGJNJYJCGJFZ-LURJTMIESA-N,,,,,,,,,,,
100.073.219,280-563-9,83721-34-0,"N-[4-(N-hexadecyl-N-methylsulphamoyl)-2,5-dimethoxyphenyl]-3-oxo-3-phenylpropionamide","N-{4-[hexadecyl(methyl)sulfamoyl]-2,5-dimethoxyphenyl}-3-oxo-3-phenylpropanamide",CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OC)c(NC(=O)CC(=O)c2ccccc2)cc1OC,CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OC)c(NC(=O)CC(=O)c2ccccc2)cc1OC,"InChI=1/C34H52N2O6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-36(2)43(39,40)33-27-31(41-3)29(25-32(33)42-4)35-34(38)26-30(37)28-22-19-18-20-23-28/h18-20,22-23,25,27H,5-17,21,24,26H2,1-4H3,(H,35,38)",C34H52N2O6S,,,,,,CKISAHSCDNMLGR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.223,280-568-6,83721-42-0,Sodium 2-(hexadecylamino)ethanesulphonate,sodium 2-(hexadecylamino)ethanesulfonate,[Na+].CCCCCCCCCCCCCCCCNCCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCNCCS(=O)(=O)[O-],"InChI=1/C18H39NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-23(20,21)22;/h19H,2-18H2,1H3,(H,20,21,22);/q;+1/p-1",C18H39NO3S.Na,,,,,,WSABFEUXXVJLLH-UHFFFAOYSA-M,,,,,,,,,,,
100.073.224,280-569-1,83721-43-1,N-[3-(dimethylamino)propyl]stearamide phosphate,N-[3-(dimethylamino)propyl]octadecanamide phosphate,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.OP(=O)(O)O,"InChI=1/C23H48N2O.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-5(2,3)4/h4-22H2,1-3H3,(H,24,26);(H3,1,2,3,4)",C23H48N2O.xH3O4P,,,,,,VQQVXUYTXGZVOD-UHFFFAOYSA-N,,,,,,,,,,,
100.073.226,280-571-2,83721-45-3,"Sodium 2,3-bis[(2-ethylhexyl)oxy]propyl sulphate","sodium 2,3-bis[(2-ethylhexyl)oxy]propyl sulfate",[Na+].CCCCC(CC)COCC(COS(=O)(=O)[O-])OCC(CC)CCCC,[Na+].CCCCC(CC)COCC(COS(=O)(=O)[O-])OCC(CC)CCCC,"InChI=1/C19H40O6S.Na/c1-5-9-11-17(7-3)13-23-15-19(16-25-26(20,21)22)24-14-18(8-4)12-10-6-2;/h17-19H,5-16H2,1-4H3,(H,20,21,22);/q;+1/p-1",C19H40O6S.Na,,,,,,SCDAIXAIPIPQAM-UHFFFAOYSA-M,,,,,,,,,,,
100.047.922,252-730-6,35794-11-7,"3,5-dimethylpiperidine","3,5-dimethylpiperidine",CC1CNCC(C)C1,CC1CNCC(C)C1,"InChI=1/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3",C7H15N,,,,,,IDWRJRPUIXRFRX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.926,252-734-8,35795-44-9,3-ethyl-5-[(3-methylthiazolidin-2-ylidene)ethylidene]-2-thioxooxazolidin-4-one,"3-ethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-thioxo-1,3-oxazolidin-4-one",CN2CCSC2=CC=C1OC(=S)N(CC)C1=O,CN2CCSC2=CC=C1OC(=S)N(CC)C1=O,"InChI=1/C11H14N2O2S2/c1-3-13-10(14)8(15-11(13)16)4-5-9-12(2)6-7-17-9/h4-5H,3,6-7H2,1-2H3",C11H14N2O2S2,,,,,,SAEAAROWQNNEDY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.743,254-736-4,39994-70-2,Ethyl L-threoninate hydrochloride,ethyl L-threoninate hydrochloride,Cl.CCOC(=O)[C@@H](N)C(C)O,Cl.CCOC(=O)[C@@H](N)C(C)O,"InChI=1/C6H13NO3.ClH/c1-3-10-6(9)5(7)4(2)8;/h4-5,8H,3,7H2,1-2H3;1H",C6H13NO3.ClH,,,,,,WHKKNTASOQMDMH-YKXIHYLHSA-N,,,,,,,,,,,
100.051.250,256-394-1,49594-70-9,2-nitrobenzyl acrylate,2-nitrobenzyl acrylate,[O-][N+](=O)c1ccccc1COC(=O)C=C,[O-][N+](=O)c1ccccc1COC(=O)C=C,"InChI=1/C10H9NO4/c1-2-10(12)15-7-8-5-3-4-6-9(8)11(13)14/h2-6H,1,7H2",C10H9NO4,,,,,,CVTDDZYPSGYVNN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.255,256-399-9,49610-67-5,2-butoxyethyl 4-aminobenzoate,2-butoxyethyl 4-aminobenzoate,CCCCOCCOC(=O)c1ccc(N)cc1,CCCCOCCOC(=O)c1ccc(N)cc1,"InChI=1/C13H19NO3/c1-2-3-8-16-9-10-17-13(15)11-4-6-12(14)7-5-11/h4-7H,2-3,8-10,14H2,1H3",C13H19NO3,,,,,,RROCMBLJWURHGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.261,256-406-5,49630-05-9,"4,4'-[(p-tolylsulphonyl)methylene]bis[N,N-dimethylaniline]","4,4'-{[(4-methylphenyl)sulfonyl]methylene}bis(N,N-dimethylaniline)",CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)S(=O)(=O)c3ccc(C)cc3,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)S(=O)(=O)c3ccc(C)cc3,"InChI=1/C24H28N2O2S/c1-18-6-16-23(17-7-18)29(27,28)24(19-8-12-21(13-9-19)25(2)3)20-10-14-22(15-11-20)26(4)5/h6-17,24H,1-5H3",C24H28N2O2S,,,,,,NXSOUJMPYKVUMX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.262,256-407-0,49647-58-7,Pyrimidinetetramine sulphate,"pyrimidine-2,4,5,6-tetramine sulfate",Nc1nc(N)c(N)c(N)n1.OS(=O)(=O)O,Nc1nc(N)c(N)c(N)n1.OS(=O)(=O)O,"InChI=1/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4)",C4H8N6.xH2O4S,,,,,,MQEFDQWUCTUJCP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.270,256-415-4,49658-80-2,"N,N'-[(6-chloro-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)","N,N'-{(6-chloro-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]}dibenzamide",Clc1nc(Nc2cccc3C(=O)c4c(NC(=O)c5ccccc5)cccc4C(=O)c23)nc(Nc6cccc7C(=O)c8c(NC(=O)c9ccccc9)cccc8C(=O)c67)n1,Clc1nc(Nc2cccc3C(=O)c4c(NC(=O)c5ccccc5)cccc4C(=O)c23)nc(Nc6cccc7C(=O)c8c(NC(=O)c9ccccc9)cccc8C(=O)c67)n1,"InChI=1/C45H26ClN7O6/c46-43-51-44(49-31-21-9-17-27-35(31)39(56)25-15-7-19-29(33(25)37(27)54)47-41(58)23-11-3-1-4-12-23)53-45(52-43)50-32-22-10-18-28-36(32)40(57)26-16-8-20-30(34(26)38(28)55)48-42(59)24-13-5-2-6-14-24/h1-22H,(H,47,58)(H,48,59)(H2,49,50,51,52,53)",C45H26ClN7O6,,,,,,ITFSHPJCGBGLHV-UHFFFAOYSA-N,,,,,,,,,,,
100.051.281,256-428-5,49679-37-0,"3,4,5-trimethoxy-a-(morpholinomethylene)phenylacetonitrile","3-morpholin-4-yl-2-(3,4,5-trimethoxyphenyl)acrylonitrile",COc1cc(cc(OC)c1OC)C(=CN2CCOCC2)C#N,COc1cc(cc(OC)c1OC)C(=CN2CCOCC2)C#N,"InChI=1/C16H20N2O4/c1-19-14-8-12(9-15(20-2)16(14)21-3)13(10-17)11-18-4-6-22-7-5-18/h8-9,11H,4-7H2,1-3H3",C16H20N2O4,,,,,,ZLDUHAWGSJRXRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.282,256-429-0,49686-00-2,"4,5-dihydroxy-1-(hydroxymethyl)-3-octadecylimidazolidin-2-one","4,5-dihydroxy-1-(hydroxymethyl)-3-octadecylimidazolidin-2-one",CCCCCCCCCCCCCCCCCCN1C(O)C(O)N(CO)C1=O,CCCCCCCCCCCCCCCCCCN1C(O)C(O)N(CO)C1=O,"InChI=1/C22H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(26)21(27)24(19-25)22(23)28/h20-21,25-27H,2-19H2,1H3",C22H44N2O4,,,,,,ZYXBWVMDAHODGC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.953,256-067-3,43052-68-2,Bis(2-hydroxyethyl)ammonium sulphamate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium sulfamate,NS(=O)(=O)[O-].OCC[NH2+]CCO,NS(=O)(=O)[O-].OCC[NH2+]CCO,"InChI=1/C4H11NO2.H3NO3S/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4)",C4H11NO2.H3NO3S,,,,,,CGVQSPFFDKZASE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.957,256-072-0,43064-52-4,Dimethyl 2-hydroxy-2-(isopropyl)succinate,dimethyl 2-hydroxy-2-isopropylsuccinate,COC(=O)CC(O)(C(C)C)C(=O)OC,COC(=O)CC(O)(C(C)C)C(=O)OC,"InChI=1/C9H16O5/c1-6(2)9(12,8(11)14-4)5-7(10)13-3/h6,12H,5H2,1-4H3",C9H16O5,,,,,,OQIDMHZJNDYZLB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.963,256-078-3,43080-23-5,Pentadecyl acrylate,pentadecyl acrylate,CCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(19)4-2/h4H,2-3,5-17H2,1H3",C18H34O2,,,,,,GOZDOXXUTWHSKU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.964,256-079-9,43083-12-1,"1,1,1-trimethoxybutane","1,1,1-trimethoxybutane",CCCC(OC)(OC)OC,CCCC(OC)(OC)OC,"InChI=1/C7H16O3/c1-5-6-7(8-2,9-3)10-4/h5-6H2,1-4H3",C7H16O3,,,,,,JAFMOTJMRSZOJE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.214,280-558-1,83711-60-8,3-[3-(4-nitrophenyl)triazen-1-yl]butan-2-one,3-[3-(4-nitrophenyl)triaz-1-en-1-yl]butan-2-one,CC(=O)C(C)N=NNc1ccc(cc1)[N+]([O-])=O,CC(=O)C(C)N=NNc1ccc(cc1)[N+]([O-])=O,"InChI=1/C10H12N4O3/c1-7(8(2)15)11-13-12-9-3-5-10(6-4-9)14(16)17/h3-7H,1-2H3,(H,11,12)",C10H12N4O3,,,,,,ZMTRZXXDZGOIOP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.221,280-566-5,83721-36-2,Ammonium p-xylene-2-sulphonate,"ammonium 2,5-dimethylbenzenesulfonate",[NH4+].Cc1ccc(C)c(c1)S(=O)(=O)[O-],[NH4+].Cc1ccc(C)c(c1)S(=O)(=O)[O-],"InChI=1/C8H10O3S.H3N/c1-6-3-4-7(2)8(5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3",C8H10O3S.H3N,,,,,,UXKXKFCNSBEHCR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.234,280-580-1,83721-54-4,"N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[3-chlorobenzamide]","N,N'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(3-chlorobenzamide)",Oc1ccc(NC(=O)c2cccc(Cl)c2)c3C(=O)c4c(O)ccc(NC(=O)c5cccc(Cl)c5)c4C(=O)c13,Oc1ccc(NC(=O)c2cccc(Cl)c2)c3C(=O)c4c(O)ccc(NC(=O)c5cccc(Cl)c5)c4C(=O)c13,"InChI=1/C28H16Cl2N2O6/c29-15-5-1-3-13(11-15)27(37)31-17-7-9-19(33)23-21(17)25(35)24-20(34)10-8-18(22(24)26(23)36)32-28(38)14-4-2-6-16(30)12-14/h1-12,33-34H,(H,31,37)(H,32,38)",C28H16Cl2N2O6,,,,,,DARKMCJSOWOFLH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.240,280-586-4,83721-60-2,"N,N'-[(9,10-dihydro-2-methyl-9,10-dioxoanthracene-1,3-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)","N,N'-{(2-methyl-9,10-dioxo-9,10-dihydroanthracene-1,3-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide",Cc1c(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)cc6C(=O)c7ccccc7C(=O)c6c1Nc8ccc(NC(=O)c9ccccc9)c%10C(=O)c%11ccccc%11C(=O)c8%10,Cc1c(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)cc6C(=O)c7ccccc7C(=O)c6c1Nc8ccc(NC(=O)c9ccccc9)c%10C(=O)c%11ccccc%11C(=O)c8%10,"InChI=1/C57H34N4O8/c1-29-43(58-39-24-26-41(60-56(68)30-14-4-2-5-15-30)47-45(39)52(64)34-20-10-12-22-36(34)54(47)66)28-38-44(51(63)33-19-9-8-18-32(33)50(38)62)49(29)59-40-25-27-42(61-57(69)31-16-6-3-7-17-31)48-46(40)53(65)35-21-11-13-23-37(35)55(48)67/h2-28,58-59H,1H3,(H,60,68)(H,61,69)",C57H34N4O8,,,,,,CQKFDYBUEHOIFK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.242,280-589-0,83721-62-4,"8,25-dihydro-5H-naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,9,14,19,24,26,31(6H)-octone","5H-naphtho[2,3-i]naphtho[2',3':6,7]indolo[2,3-c]naphtho[2'',3'':6',7']indolo[2',3':5,6]naphtho[2,3-a]carbazole-5,7,9,14,19,24,26,31(6H,8H,25H)-octone",O=C1CC(=O)C2=CC3=C4N=C5C6=CC7=C8N=C9C%10=C(CC(=O)C9=C8C%11=C%12CC(=O)C%13=CC%14=CC=CC(=O)C%14=CC%13=C%12N=C%11C7=CC6=CC(=O)C5=C4C=CC3=CC2=C1)C(=O)c%15ccccc%15C%10=O,O=C1CC(=O)C2=CC3=C4N=C5C6=CC7=C8N=C9C%10=C(CC(=O)C9=C8C%11=C%12CC(=O)C%13=CC%14=CC=CC(=O)C%14=CC%13=C%12N=C%11C7=CC6=CC(=O)C5=C4C=CC3=CC2=C1)C(=O)c%15ccccc%15C%10=O,"InChI=1/C56H23N3O8/c60-25-11-23-10-22-8-9-28-44-42(64)14-24-13-34-36(18-32(24)51(44)57-49(28)31(22)16-30(23)40(62)15-25)53-48(47-43(65)20-38-46(54(47)59-53)56(67)27-6-2-1-5-26(27)55(38)66)45-37-19-41(63)33-12-21-4-3-7-39(61)29(21)17-35(33)50(37)58-52(34)45/h1-14,16-18H,15,19-20H2",C56H23N3O8,,,,,,LOVHZWWYUGPCIF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.248,280-595-3,83732-48-3,1-(4-chlorobutoxy)-2-methylbenzene,1-(4-chlorobutoxy)-2-methylbenzene,Cc1ccccc1OCCCCCl,Cc1ccccc1OCCCCCl,"InChI=1/C11H15ClO/c1-10-6-2-3-7-11(10)13-9-5-4-8-12/h2-3,6-7H,4-5,8-9H2,1H3",C11H15ClO,,,,,,GADHSOUSWKQCEU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.124,282-663-8,84282-17-7,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-valine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-valine - piperidine (1:1),CC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C17H22N2O4S.C5H11N/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4;1-2-4-6-5-3-1/h5-11,16,18H,1-4H3,(H,20,21);6H,1-5H2",C17H22N2O4S.C5H11N,,,,,,OSSMYKCPNFDDJX-NTISSMGPSA-N,,,,,,,,,,,
100.077.627,285-419-9,85098-68-6,2-[(4-fluorophenyl)amino]acetamide,N~2~-(4-fluorophenyl)glycinamide,NC(=O)CNc1ccc(F)cc1,NC(=O)CNc1ccc(F)cc1,"InChI=1/C8H9FN2O/c9-6-1-3-7(4-2-6)11-5-8(10)12/h1-4,11H,5H2,(H2,10,12)",C8H9FN2O,,,,,,XFNITYDLAJLCMW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.628,285-420-4,85098-69-7,Methyl N-(3-methoxy-3-oxopropyl)-N-[2-(4-methoxyphenyl)ethyl]-ß-alaninate,"dimethyl 3,3'-{[2-(4-methoxyphenyl)ethyl]imino}dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)CCc1ccc(OC)cc1,COC(=O)CCN(CCC(=O)OC)CCc1ccc(OC)cc1,"InChI=1/C17H25NO5/c1-21-15-6-4-14(5-7-15)8-11-18(12-9-16(19)22-2)13-10-17(20)23-3/h4-7H,8-13H2,1-3H3",C17H25NO5,,,,,,JUYUUZVXPTVXKA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.182,278-323-3,75837-23-9,"Methyl 2,3,4,9-tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-1-carboxylate","methyl 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-1-carboxylate",COC(=O)C1(C)NCCc2c1[nH]c3ccccc23,COC(=O)C1(C)NCCc2c1[nH]c3ccccc23,"InChI=1/C14H16N2O2/c1-14(13(17)18-2)12-10(7-8-15-14)9-5-3-4-6-11(9)16-12/h3-6,15-16H,7-8H2,1-2H3",C14H16N2O2,,,,,,SKAHIUROFYZNQA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.185,278-327-5,75854-68-1,Ethyl 4-methylnonan-1-oate,ethyl 4-methylnonanoate,CCCCCC(C)CCC(=O)OCC,CCCCCC(C)CCC(=O)OCC,"InChI=1/C12H24O2/c1-4-6-7-8-11(3)9-10-12(13)14-5-2/h11H,4-10H2,1-3H3",C12H24O2,,,,,,KANLVRWHSMXIIN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.975,259-392-9,54912-87-7,"1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol","1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)hept-3-ene-2,6-diol",FC(F)(F)C(O)(C=CCC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(O)(C=CCC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C9H6F12O2/c10-6(11,12)4(22,7(13,14)15)2-1-3-5(23,8(16,17)18)9(19,20)21/h1-2,22-23H,3H2",C9H6F12O2,,,,,,VAKDPITXIDWRMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.982,259-400-0,54939-53-6,N-[2-(N-ethylanilino)ethyl]phthalimide,"2-{2-[ethyl(phenyl)amino]ethyl}-1H-isoindole-1,3(2H)-dione",CCN(CCN1C(=O)c2ccccc2C1=O)c3ccccc3,CCN(CCN1C(=O)c2ccccc2C1=O)c3ccccc3,"InChI=1/C18H18N2O2/c1-2-19(14-8-4-3-5-9-14)12-13-20-17(21)15-10-6-7-11-16(15)18(20)22/h3-11H,2,12-13H2,1H3",C18H18N2O2,,,,,,JXOIGNIYEXYEGW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.987,259-405-8,54949-74-5,"3,3,4,4,4-pentafluorobutan-1-ol","3,3,4,4,4-pentafluorobutan-1-ol",OCCC(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)F,"InChI=1/C4H5F5O/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2",C4H5F5O,,,,,,JPMHUDBOKDBBLG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.990,259-408-4,54951-54-1,N-[4-[(dimethylamino)sulphonyl]phenyl]acetamide,N-[4-(dimethylsulfamoyl)phenyl]acetamide,CN(C)S(=O)(=O)c1ccc(NC(=O)C)cc1,CN(C)S(=O)(=O)c1ccc(NC(=O)C)cc1,"InChI=1/C10H14N2O3S/c1-8(13)11-9-4-6-10(7-5-9)16(14,15)12(2)3/h4-7H,1-3H3,(H,11,13)",C10H14N2O3S,,,,,,ZABKTFBXRPVLAO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.125,254-056-8,38641-94-0,"N-(phosphonomethyl)glycine, compound with 2-propylamine (1:1)",propan-2-aminium [(phosphonomethyl)amino]acetate,CC(C)[NH3+].OP(=O)(O)CNCC(=O)[O-],CC(C)[NH3+].OP(=O)(O)CNCC(=O)[O-],"InChI=1/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3",C3H9N.C3H8NO5P,,,,,,ZEKANFGSDXODPD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.128,254-059-4,38647-83-5,(4-chlorophenyl)guanidine mononitrate,1-(4-chlorophenyl)guanidine nitrate,NC(=N)Nc1ccc(Cl)cc1.O[N+](=O)[O-],NC(=N)Nc1ccc(Cl)cc1.O[N+](=O)[O-],"InChI=1/C7H8ClN3.HNO3/c8-5-1-3-6(4-2-5)11-7(9)10;2-1(3)4/h1-4H,(H4,9,10,11);(H,2,3,4)",C7H8ClN3.HNO3,,,,,,XDIUTUZPPZXWMN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.133,254-065-7,38658-94-5,4-[[4-(ethylsulphonyl)-2-nitrophenyl]azo]-5-methyl-1-phenyl-1H-pyrazol-3-amine,4-{[4-(ethylsulfonyl)-2-nitrophenyl]diazenyl}-5-methyl-1-phenyl-1H-pyrazol-3-amine,CCS(=O)(=O)c3ccc(N=Nc2c(N)nn(c1ccccc1)c2C)c(c3)[N+]([O-])=O,CCS(=O)(=O)c3ccc(N=Nc2c(N)nn(c1ccccc1)c2C)c(c3)[N+]([O-])=O,"InChI=1/C18H18N6O4S/c1-3-29(27,28)14-9-10-15(16(11-14)24(25)26)20-21-17-12(2)23(22-18(17)19)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H2,19,22)",C18H18N6O4S,,,,,,AOHYRLBEHPBUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.138,254-070-4,38663-85-3,2-methoxyethyl isothiocyanate,1-isothiocyanato-2-methoxyethane,COCCN=C=S,COCCN=C=S,"InChI=1/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3",C4H7NOS,,,,,,HTSAVXAFEVUJQE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.732,280-029-5,82784-84-7,"2,5,6-trimethylhept-4-enal","2,5,6-trimethylhept-4-enal",CC(CC=C(C)C(C)C)C=O,CC(CC=C(C)C(C)C)C=O,"InChI=1/C10H18O/c1-8(2)10(4)6-5-9(3)7-11/h6-9H,5H2,1-4H3",C10H18O,,,,,,XHOFTJRCBBQRFB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.733,280-030-0,82789-83-1,"23,30-dihydro-5H-tetranaphtho[2,3-a:2',3'-a':2'',3''-i:2''',3'''-i']pyrrolo[2,3-c:5,4-c']dicarbazole-5,7,12,17,22,24,29,31(6H)-octone","20,27-dihydro-2H-dinaphtho[2,3-a:2',3'-i]bisnaphtho[2',3':6,7]indolo[2,3-c:3',2'-g]carbazole-2,4,9,14,19,21,26,28(3H)-octone",O=C1CC(=O)C2=CC3=C4N=C5C6=CC7=CC(=O)C=CC7=CC6=C8N=C9C%10=C(C(=O)c%11ccccc%11C%10=O)c%12[nH]c%13C%14=C(CC(=O)c%13c%12C9=C8C5=C4C=CC3=CC2=C1)C(=O)c%15ccccc%15C%14=O,O=C1CC(=O)C2=CC3=C4N=C5C6=CC7=CC(=O)C=CC7=CC6=C8N=C9C%10=C(C(=O)c%11ccccc%11C%10=O)c%12[nH]c%13C%14=C(CC(=O)c%13c%12C9=C8C5=C4C=CC3=CC2=C1)C(=O)c%15ccccc%15C%14=O,"InChI=1/C56H23N3O8/c60-25-11-9-21-16-34-35(17-23(21)14-25)48-39(31-12-10-22-13-24-15-26(61)18-37(62)32(24)19-33(22)47(31)57-48)42-44-43-41-38(63)20-36-40(54(65)28-6-2-1-5-27(28)53(36)64)50(41)59-51(43)45-46(52(44)58-49(34)42)56(67)30-8-4-3-7-29(30)55(45)66/h1-17,19,59H,18,20H2",C56H23N3O8,,,,,,MGYDCJJHUDVPHH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.742,280-040-5,82799-43-7,"2,4-bis(isopropyl)thioxanthen-9-one 10,10-dioxide","2,4-diisopropyl-9H-thioxanthen-9-one 10,10-dioxide",CC(C)c1cc(C(C)C)c2c(c1)C(=O)c3ccccc3S2(=O)=O,CC(C)c1cc(C(C)C)c2c(c1)C(=O)c3ccccc3S2(=O)=O,"InChI=1/C19H20O3S/c1-11(2)13-9-15(12(3)4)19-16(10-13)18(20)14-7-5-6-8-17(14)23(19,21)22/h5-12H,1-4H3",C19H20O3S,,,,,,XAZBVVXKLAGKLA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.749,280-047-3,82808-57-9,"Formic acid, compound with N-[2-[[2-(2-hydroxyethoxy)ethyl](2-hydroxyethyl)amino]ethyl]oleamide (1:1)",formic acid - N-(2-{[2-(2-hydroxyethoxy)ethyl](2-hydroxyethyl)amino}ethyl)octadec-9-enamide (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)NCCN(CCO)CCOCCO.OC=O,CCCCCCCC\C=C/CCCCCCCC(=O)NCCN(CCO)CCOCCO.OC=O,"InChI=1/C26H52N2O4.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(31)27-18-19-28(20-22-29)21-24-32-25-23-30;2-1-3/h9-10,29-30H,2-8,11-25H2,1H3,(H,27,31);1H,(H,2,3)",C26H52N2O4.CH2O2,,,,,,WQKHNNBUMNAAPG-KVVVOXFISA-N,,,,,,,,,,,
100.074.377,281-841-2,84041-61-2,"Benzene-1,3,5-tricarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:1)","benzene-1,3,5-tricarboxylic acid - 4-methyl-2-phenyl-4,5-dihydro-1H-imidazole (1:1)",CC1CNC(=N1)c2ccccc2.OC(=O)c3cc(cc(c3)C(=O)O)C(=O)O,CC1CNC(=N1)c2ccccc2.OC(=O)c3cc(cc(c3)C(=O)O)C(=O)O,"InChI=1/C10H12N2.C9H6O6/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-6,8H,7H2,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13)(H,14,15)",C10H12N2.C9H6O6,,,,,,OPQGDZPAXTVFPH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.238,280-584-3,83721-58-8,"N-[4-[(10-bromo-6,12-dihydro-6,12-dioxodibenzo[def,mno]chrysen-4-yl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-{4-[(10-bromo-6,12-dioxo-6,12-dihydronaphtho[7,8,1,2,3-nopqr]tetraphen-4-yl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}benzamide",Brc1cc2C(=O)c3cccc4c(Nc5ccc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c57)cc9C(=O)c%10cccc1c%10c2c9c34,Brc1cc2C(=O)c3cccc4c(Nc5ccc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c57)cc9C(=O)c%10cccc1c%10c2c9c34,"InChI=1/C43H21BrN2O5/c44-29-18-27-35-33-23(29)12-6-14-25(33)40(48)28-19-32(24-13-7-15-26(39(27)47)34(24)36(28)35)45-30-16-17-31(46-43(51)20-8-2-1-3-9-20)38-37(30)41(49)21-10-4-5-11-22(21)42(38)50/h1-19,45H,(H,46,51)",C43H21BrN2O5,,,,,,LRTDEMUMKRYMAX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.116,282-654-9,84282-08-6,"2-(3,4-dichlorophenyl)-5-phenyloxazole","2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole",Clc1ccc(cc1Cl)c2oc(cn2)c3ccccc3,Clc1ccc(cc1Cl)c2oc(cn2)c3ccccc3,InChI=1/C15H9Cl2NO/c16-12-7-6-11(8-13(12)17)15-18-9-14(19-15)10-4-2-1-3-5-10/h1-9H,C15H9Cl2NO,,,,,,KNHKDAVYOIBWDF-UHFFFAOYSA-N,,,,,,,,,,,
100.075.119,282-658-0,84282-12-2,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-serine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-serine - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CO)C(=O)O.C3CCNCC3,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CO)C(=O)O.C3CCNCC3,"InChI=1/C15H18N2O5S.C5H11N/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20;1-2-4-6-5-3-1/h3-8,12,16,18H,9H2,1-2H3,(H,19,20);6H,1-5H2",C15H18N2O5S.C5H11N,,,,,,PMLYLUHIMARDID-YDALLXLXSA-N,,,,,,,,,,,
100.075.120,282-659-6,84282-13-3,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-serine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-serine - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CO)C(=O)O.C3CCNCC3,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CO)C(=O)O.C3CCNCC3,"InChI=1/C15H18N2O5S.C5H11N/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20;1-2-4-6-5-3-1/h3-8,12,16,18H,9H2,1-2H3,(H,19,20);6H,1-5H2",C15H18N2O5S.C5H11N,,,,,,PMLYLUHIMARDID-YDALLXLXSA-N,,,,,,,,,,,
100.075.121,282-660-1,84282-14-4,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-threonine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-threonine - piperidine (1:1),CC(O)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CC(O)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C16H20N2O5S.C5H11N/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3;1-2-4-6-5-3-1/h4-10,15,17,19H,1-3H3,(H,20,21);6H,1-5H2",C16H20N2O5S.C5H11N,,,,,,BOLRKZDBAWTVSN-GWXPYHJSSA-N,,,,,,,,,,,
100.075.122,282-661-7,84282-15-5,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-tryptophan, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-tryptophan - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O.C5CCNCC5,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O.C5CCNCC5,"InChI=1/C23H23N3O4S.C5H11N/c1-26(2)21-11-5-9-18-17(21)8-6-12-22(18)31(29,30)25-20(23(27)28)13-15-14-24-19-10-4-3-7-16(15)19;1-2-4-6-5-3-1/h3-12,14,20,24-25H,13H2,1-2H3,(H,27,28);6H,1-5H2",C23H23N3O4S.C5H11N,,,,,,XWVQVPLUXCHVMT-BDQAORGHSA-N,,,,,,,,,,,
100.075.123,282-662-2,84282-16-6,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-tryptophan, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-tryptophan - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O.C5CCNCC5,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O.C5CCNCC5,"InChI=1/C23H23N3O4S.C5H11N/c1-26(2)21-11-5-9-18-17(21)8-6-12-22(18)31(29,30)25-20(23(27)28)13-15-14-24-19-10-4-3-7-16(15)19;1-2-4-6-5-3-1/h3-12,14,20,24-25H,13H2,1-2H3,(H,27,28);6H,1-5H2",C23H23N3O4S.C5H11N,,,,,,XWVQVPLUXCHVMT-BDQAORGHSA-N,,,,,,,,,,,
100.077.625,285-417-8,85098-66-4,"2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one, sodium salt",-,[Na+].COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NNC4=O,[Na+].COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NNC4=O,"InChI=1/C19H21N5O2.Na/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)15-2-4-17(5-3-15)24-14-20-21-19(24)25;/h2-9,14H,10-13H2,1H3,(H,21,25);/q;+1",C19H21N5O2.Na,,,,,,ZUGMQULZELEWQH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.629,285-422-5,85098-70-0,1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine,1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine,COc1ccc(CCN2CCC(N)CC2)cc1,COc1ccc(CCN2CCC(N)CC2)cc1,"InChI=1/C14H22N2O/c1-17-14-4-2-12(3-5-14)6-9-16-10-7-13(15)8-11-16/h2-5,13H,6-11,15H2,1H3",C14H22N2O,,,,,,HTGMIBQQTLUEKV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.631,285-424-6,85098-72-2,Methyl [2-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-carbamate,methyl {2-[(2-hydroxyethyl)carbamoyl]phenyl}carbamate,COC(=O)Nc1ccccc1C(=O)NCCO,COC(=O)Nc1ccccc1C(=O)NCCO,"InChI=1/C11H14N2O4/c1-17-11(16)13-9-5-3-2-4-8(9)10(15)12-6-7-14/h2-5,14H,6-7H2,1H3,(H,12,15)(H,13,16)",C11H14N2O4,,,,,,PEJQHMBMVSONRN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.635,285-428-8,85098-76-6,Methyl 4-carbamoyl-4-(phenylamino)piperidine-1-carboxylate,methyl 4-anilino-4-carbamoylpiperidine-1-carboxylate,COC(=O)N1CCC(CC1)(Nc2ccccc2)C(=O)N,COC(=O)N1CCC(CC1)(Nc2ccccc2)C(=O)N,"InChI=1/C14H19N3O3/c1-20-13(19)17-9-7-14(8-10-17,12(15)18)16-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H2,15,18)",C14H19N3O3,,,,,,SUAURJQKXAYYPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.971,256-087-2,43095-98-3,"N-[4-[(3-chlorophenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-{4-[(3-chlorophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}benzamide",Clc1cccc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)c1,Clc1cccc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)c1,"InChI=1/C27H17ClN2O3/c28-17-9-6-10-18(15-17)29-21-13-14-22(30-27(33)16-7-2-1-3-8-16)24-23(21)25(31)19-11-4-5-12-20(19)26(24)32/h1-15,29H,(H,30,33)",C27H17ClN2O3,,,,,,LGVJWBLKNKRNMY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.976,256-093-5,43101-34-4,trans-3-vinylcyclohexan-1-ol,3-vinylcyclohexanol,O[C@H]1CCC[C@@H](C1)C=C,O[C@H]1CCC[C@@H](C1)C=C,"InChI=1/C8H14O/c1-2-7-4-3-5-8(9)6-7/h2,7-9H,1,3-6H2",C8H14O,,,,,,ZYBGGGUBHNFAEV-YUMQZZPRSA-N,,,,,,,,,,,
100.050.977,256-094-0,43101-35-5,cis-3-vinylcyclohexan-1-ol,3-vinylcyclohexanol,O[C@H]1CCC[C@H](C1)C=C,O[C@H]1CCC[C@H](C1)C=C,"InChI=1/C8H14O/c1-2-7-4-3-5-8(9)6-7/h2,7-9H,1,3-6H2",C8H14O,,,,,,ZYBGGGUBHNFAEV-SFYZADRCSA-N,,,,,,,,,,,
100.050.978,256-095-6,43101-48-0,Diethyl DL-aspartate,diethyl L-aspartate,CCOC(=O)C[C@H](N)C(=O)OCC,CCOC(=O)C[C@H](N)C(=O)OCC,"InChI=1/C8H15NO4/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6H,3-5,9H2,1-2H3",C8H15NO4,,,,,,HMNXRLQSCJJMBT-LURJTMIESA-N,,,,,,,,,,,
100.050.980,256-097-7,43110-90-3,Potassium glycerate,"potassium 2,3-dihydroxypropanoate",[K+].OCC(O)C(=O)[O-],[K+].OCC(O)C(=O)[O-],"InChI=1/C3H6O4.K/c4-1-2(5)3(6)7;/h2,4-5H,1H2,(H,6,7);/q;+1/p-1",C3H6O4.K,,,,,,SYGDCNJESIQXKS-UHFFFAOYSA-M,,,,,,,,,,,
100.050.984,256-101-7,43119-47-7,"[2R-[2R*(4R*,8R*)]]-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl nicotinate",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1,"InChI=1/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3",C35H53NO3,,,,,,MSCCTZZBYHQMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.985,256-102-2,43121-37-5,"1-([1,1'-biphenyl]-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one","1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one",CC(C)(C)C(=O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3,CC(C)(C)C(=O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3,"InChI=1/C20H21N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,19H,1-3H3",C20H21N3O2,,,,,,UKZCPXGKCGMLBY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.986,256-103-8,43121-43-3,"1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone","1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one",CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,"InChI=1/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3",C14H16ClN3O2,,,,,,WURBVZBTWMNKQT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.266,253-110-8,36573-63-4,"[2a(2S,3S,4S,6R),3ß,5a]-2,3-[[4-acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide","13a-formyl-3a,11a-dihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-11-yl acetate",CC1CC(OC(=O)C)C2(O)OC3CC4(C=O)C(CCC5C4CCC6(C)C(CCC56O)C7=CC(=O)OC7)CC3OC2O1,CC1CC(OC(=O)C)C2(O)OC3CC4(C=O)C(CCC5C4CCC6(C)C(CCC56O)C7=CC(=O)OC7)CC3OC2O1,"InChI=1/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3",C31H42O10,,,,,,OXKMZIABKYHLAR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.267,253-111-3,36576-70-2,3-methoxy-4-(pyrrolidin-1-yl)benzenediazonium tetrafluoroborate,3-methoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate,COc1cc(ccc1N2CCCC2)[N+]#N.F[B-](F)(F)F,COc1cc(ccc1N2CCCC2)[N+]#N.F[B-](F)(F)F,"InChI=1/C11H14N3O.BF4/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;2-1(3,4)5/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1",C11H14N3O.BF4,,,,,,MCSCKCSPPKQNFR-UHFFFAOYSA-N,,,,,,,,,,,
100.048.269,253-113-4,36577-48-7,Zirconium dicarbonate,zirconium(2+) dicarbonate,[Zr+2].[O-]C(=O)OC(=O)[O-],[Zr+2].[O-]C(=O)OC(=O)[O-],"InChI=1/C2H2O5.Zr/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",CH2O3.xZr,,,,,,XVXQEGPLSMWWNB-UHFFFAOYSA-L,,,,,,,,,,,
100.048.272,253-117-6,36586-67-1,1-[(3-nitrophenyl)methyl]quinolinium chloride,1-(3-nitrobenzyl)quinolinium chloride,[Cl-].[O-][N+](=O)c1cccc(C[n+]2cccc3ccccc23)c1,[Cl-].[O-][N+](=O)c1cccc(C[n+]2cccc3ccccc23)c1,"InChI=1/C16H13N2O2.ClH/c19-18(20)15-8-3-5-13(11-15)12-17-10-4-7-14-6-1-2-9-16(14)17;/h1-11H,12H2;1H/q+1;/p-1",C16H13N2O2.Cl,,,,,,MUBWEXZDRIKTRS-UHFFFAOYSA-M,,,,,,,,,,,
100.048.276,253-121-8,36592-62-8,"4-hydroxy-2,3,6-trimethylphenyl acetate","4-hydroxy-2,3,6-trimethylphenyl acetate",CC(=O)Oc1c(C)cc(O)c(C)c1C,CC(=O)Oc1c(C)cc(O)c(C)c1C,"InChI=1/C11H14O3/c1-6-5-10(13)7(2)8(3)11(6)14-9(4)12/h5,13H,1-4H3",C11H14O3,,,,,,JFNARRJEBQBMJF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.284,253-130-7,36617-38-6,Tridecyl palmitate,tridecyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC,"InChI=1/C29H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29(30)31-28-26-24-22-20-18-14-12-10-8-6-4-2/h3-28H2,1-2H3",C29H58O2,,,,,,QEIJVPZRDAHCHE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.187,278-329-6,75867-00-4,"2,3,4,5,6-pentafluorobenzyl (1R-trans)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","pentafluorobenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)C(C=C(Cl)Cl)[C@H]1C(=O)OCc2c(F)c(F)c(F)c(F)c2F,CC1(C)C(C=C(Cl)Cl)[C@H]1C(=O)OCc2c(F)c(F)c(F)c(F)c2F,"InChI=1/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3",C15H11Cl2F5O2,,,,,,YATDSXRLIUJOQN-XDKWHASVSA-N,,,,,,,,,,,
100.071.189,278-331-7,75872-99-0,"2-[(2-methyl-1-oxoallyl)oxy]ethyl 2-cyano-3,3-diphenylacrylate","2-(methacryloyloxy)ethyl 2-cyano-3,3-diphenylacrylate",CC(=C)C(=O)OCCOC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,CC(=C)C(=O)OCCOC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,"InChI=1/C22H19NO4/c1-16(2)21(24)26-13-14-27-22(25)19(15-23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,1,13-14H2,2H3",C22H19NO4,,,,,,RYKLYVSCHKVVCC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.193,278-335-9,75888-21-0,Tris[2-(2-ethoxyethoxy)ethyl]amine,"2-(2-ethoxyethoxy)-N,N-bis[2-(2-ethoxyethoxy)ethyl]ethanamine",CCOCCOCCN(CCOCCOCC)CCOCCOCC,CCOCCOCCN(CCOCCOCC)CCOCCOCC,"InChI=1/C18H39NO6/c1-4-20-13-16-23-10-7-19(8-11-24-17-14-21-5-2)9-12-25-18-15-22-6-3/h4-18H2,1-3H3",C18H39NO6,,,,,,XZGIHWAIIZHXKX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.200,278-343-2,75911-79-4,"1,5-dimethylbicyclo[3.2.1]oct-8-yl acetate","1,5-dimethylbicyclo[3.2.1]oct-8-yl acetate",CC(=O)OC1C2(C)CCCC1(C)CC2,CC(=O)OC1C2(C)CCCC1(C)CC2,"InChI=1/C12H20O2/c1-9(13)14-10-11(2)5-4-6-12(10,3)8-7-11/h10H,4-8H2,1-3H3",C12H20O2,,,,,,PWMCEJOFYWFVPA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.202,278-345-3,75926-51-1,"5,6,7,8-tetrahydro-8-hydroxy-2-quinolone","8-hydroxy-5,6,7,8-tetrahydroquinolin-2(1H)-one",OC1CCCC2=C1NC(=O)C=C2,OC1CCCC2=C1NC(=O)C=C2,"InChI=1/C9H11NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h4-5,7,11H,1-3H2,(H,10,12)",C9H11NO2,,,,,,NDPAAAKJGKXFDR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.206,278-350-0,75956-48-8,Isobutylmalonyl dichloride,isobutylmalonoyl dichloride,CC(C)CC(C(=O)Cl)C(=O)Cl,CC(C)CC(C(=O)Cl)C(=O)Cl,"InChI=1/C7H10Cl2O2/c1-4(2)3-5(6(8)10)7(9)11/h4-5H,3H2,1-2H3",C7H10Cl2O2,,,,,,KZDYLDNWCHKFLN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.223,278-368-9,76075-07-5,Ethyl N-formyl-N-benzylglycinate,ethyl N-benzyl-N-formylglycinate,CCOC(=O)CN(Cc1ccccc1)C=O,CCOC(=O)CN(Cc1ccccc1)C=O,"InChI=1/C12H15NO3/c1-2-16-12(15)9-13(10-14)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3",C12H15NO3,,,,,,IEWAWTZSMBMRPL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.224,278-369-4,76075-15-5,"Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate","methyl 3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate",COC(=O)C1=CNC(=S)N1Cc2ccccc2,COC(=O)C1=CNC(=S)N1Cc2ccccc2,"InChI=1/C12H12N2O2S/c1-16-11(15)10-7-13-12(17)14(10)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,17)",C12H12N2O2S,,,,,,FWTOEPHWNFXPPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.032,280-358-4,83270-37-5,"Tetrasodium 5-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","tetrasodium 5-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccc(cc4)S([O-])(=O)=O)n5,[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccc(cc4)S([O-])(=O)=O)n5,"InChI=1/C25H18ClN7O13S4.4Na/c26-23-29-24(27-13-5-7-14(8-6-13)47(35,36)37)31-25(30-23)28-17-11-15(48(38,39)40)9-12-10-19(50(44,45)46)21(22(34)20(12)17)33-32-16-3-1-2-4-18(16)49(41,42)43;;;;/h1-11,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,27,28,29,30,31);;;;/q;4*+1/p-4",C25H18ClN7O13S4.4Na,,,,,,OJEPZNISJOAMED-UHFFFAOYSA-J,,,,,,,,,,,
100.073.036,280-363-1,83277-31-0,3-(1-methylethyl)-5-[[[(4-methylphenyl)sulphonyl]oxy]methyl]oxazolidin-2-one,"(3-isopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl 4-methylbenzenesulfonate",CC(C)N1CC(COS(=O)(=O)c2ccc(C)cc2)OC1=O,CC(C)N1CC(COS(=O)(=O)c2ccc(C)cc2)OC1=O,"InChI=1/C14H19NO5S/c1-10(2)15-8-12(20-14(15)16)9-19-21(17,18)13-6-4-11(3)5-7-13/h4-7,10,12H,8-9H2,1-3H3",C14H19NO5S,,,,,,VSBCXARDKFKTHY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.043,280-371-5,83292-27-7,Tris(2-hydroxypropyl)ammonium myristate,"2-hydroxy-N,N-bis(2-hydroxypropyl)propan-1-aminium myristate",CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH+](CC(C)O)CC(C)O,CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH+](CC(C)O)CC(C)O,"InChI=1/C14H28O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-13H2,1H3,(H,15,16);7-9,11-13H,4-6H2,1-3H3",C14H28O2.C9H21NO3,,,,,,MEKWCAVCWRXWLU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.045,280-373-6,83310-58-1,"Potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate","potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate",[K+].[O-]C(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].[O-]C(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H5F17O2.K/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;/h1-2H2,(H,29,30);/q;+1/p-1",C11H5F17O2.K,,,,,,GLSNCEVEZGDFEG-UHFFFAOYSA-M,,,,,,,,,,,
100.074.895,282-411-7,84196-03-2,2-chloro-5-(4-chlorophenoxy)-4-diethylaminobenzenediazonium hexafluorophosphate,2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium hexafluorophosphate,CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[P-](F)(F)(F)(F)F,CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C16H16Cl2N3O.F6P/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;1-7(2,3,4,5)6/h5-10H,3-4H2,1-2H3;/q+1;-1",C16H16Cl2N3O.F6P,,,,,,YRCDBRIHHATXJH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.381,281-845-4,84041-65-6,1-(2-nitrophenyl)ethyl acrylate,1-(2-nitrophenyl)ethyl acrylate,CC(OC(=O)C=C)c1ccccc1[N+](=O)[O-],CC(OC(=O)C=C)c1ccccc1[N+](=O)[O-],"InChI=1/C11H11NO4/c1-3-11(13)16-8(2)9-6-4-5-7-10(9)12(14)15/h3-8H,1H2,2H3",C11H11NO4,,,,,,RNYPOUOIGJXNMU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.382,281-847-5,84041-66-7,"2,2,3,5,6-pentafluoro-5-(pentafluoroethoxy)-3,6-bis(trifluoromethyl)-1,4-dioxane","2,2,3,5,6-pentafluoro-5-(pentafluoroethoxy)-3,6-bis(trifluoromethyl)-1,4-dioxane",FC(F)(F)C(F)(F)OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F,FC(F)(F)C(F)(F)OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F,"InChI=1/C8F16O3/c9-1(3(11,12)13)6(20,21)25-2(10,4(14,15)16)8(24,26-1)27-7(22,23)5(17,18)19",C8F16O3,,,,,,FZTKCIWSVIVEKI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.390,281-855-9,84041-76-9,1-ethyl-6-hydroxy-4-methyl-3-[(o-nitrophenyl)azo]-5-(piperidinomethyl)pyridin-2(1H)-one monoacetate,1-ethyl-6-hydroxy-4-methyl-3-[(2-nitrophenyl)diazenyl]-5-(piperidin-1-ylmethyl)pyridin-2(1H)-one acetate (salt),CC(O)=O.[O-][N+](=O)c3ccccc3N=N\\C2=C(/C)\\C(\\CN1CCCCC1)=C(\\O)N(CC)C2=O,CC(O)=O.[O-][N+](=O)c3ccccc3N=N\C2=C(/C)\C(\CN1CCCCC1)=C(\O)N(CC)C2=O,"InChI=1/C20H25N5O4.C2H4O2/c1-3-24-19(26)15(13-23-11-7-4-8-12-23)14(2)18(20(24)27)22-21-16-9-5-6-10-17(16)25(28)29;1-2(3)4/h5-6,9-10,26H,3-4,7-8,11-13H2,1-2H3;1H3,(H,3,4)",C20H25N5O4.C2H4O2,,,,,,WZOSWFAPVRXOFY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.393,281-859-0,84041-79-2,"3,7-dimethyl-2-(phenylmethylene)oct-6-enal","2-benzylidene-3,7-dimethyloct-6-enal",C/C(C)=C\\CCC(C)C(=Cc1ccccc1)C=O,C/C(C)=C\CCC(C)C(=Cc1ccccc1)C=O,"InChI=1/C17H22O/c1-14(2)8-7-9-15(3)17(13-18)12-16-10-5-4-6-11-16/h4-6,8,10-13,15H,7,9H2,1-3H3",C17H22O,,,,,,RPFIDUPEXBETGK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.694,251-379-6,33100-27-5,"1,4,10,13-pentaoxacyclopentadecane","1,4,7,10,13-pentaoxacyclopentadecane",C1COCCOCCOCCOCCO1,C1COCCOCCOCCOCCO1,InChI=1/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2,C10H20O5,,,,,,VFTFKUDGYRBSAL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.695,251-380-1,33112-29-7,"Methyl-2-morpholinospiro[benzofuran-3(2H),1'-[3]cyclohexen]-5-ol","2-methyl-2-morpholin-4-ylspiro[1-benzofuran-3,1'-cyclohex[3]en]-5-ol",CC1(Oc2ccc(O)cc2C13CCC=CC3)N4CCOCC4,CC1(Oc2ccc(O)cc2C13CCC=CC3)N4CCOCC4,"InChI=1/C18H23NO3/c1-17(19-9-11-21-12-10-19)18(7-3-2-4-8-18)15-13-14(20)5-6-16(15)22-17/h2-3,5-6,13,20H,4,7-12H2,1H3",C18H23NO3,,,,,,RLZPNHPMTRXRGA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.698,251-383-8,33124-50-4,Fluocortin,"6-fluoro-11-hydroxy-14-methyl-3,20-dioxopregna-1,4-dien-21-oic acid",CC12CCC(C(=O)C(=O)O)C1(C)CC(O)C3C2CC(F)C4=CC(=O)C=CC34C,CC12CCC(C(=O)C(=O)O)C1(C)CC(O)C3C2CC(F)C4=CC(=O)C=CC34C,"InChI=1/C22H27FO5/c1-20-6-4-11(24)8-13(20)15(23)9-14-17(20)16(25)10-22(3)12(18(26)19(27)28)5-7-21(14,22)2/h4,6,8,12,14-17,25H,5,7,9-10H2,1-3H3,(H,27,28)",C22H27FO5,,,,,,ZDWSAXWYHQOJNF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.701,251-386-4,33129-84-9,p-tert-butylphenyl chloroformate,4-tert-butylphenyl chlorocarbonate,CC(C)(C)c1ccc(OC(=O)Cl)cc1,CC(C)(C)c1ccc(OC(=O)Cl)cc1,"InChI=1/C11H13ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3",C11H13ClO2,,,,,,TZHHLZDMODPXGC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.703,251-389-0,33130-04-0,"3-(2,3,4-trimethoxyphenyl)propionic acid","3-(2,3,4-trimethoxyphenyl)propanoic acid",COc1ccc(CCC(=O)O)c(OC)c1OC,COc1ccc(CCC(=O)O)c(OC)c1OC,"InChI=1/C12H16O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4,6H,5,7H2,1-3H3,(H,13,14)",C12H16O5,,,,,,QOPNYPCVRBRZOP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.704,251-390-6,33142-21-1,Ethyl (chloroformyl)acetate,ethyl 3-chloro-3-oxopropanoate,CCOC(=O)CC(=O)Cl,CCOC(=O)CC(=O)Cl,"InChI=1/C5H7ClO3/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3",C5H7ClO3,,,,,,KWFADUNOPOSMIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.711,251-397-4,33175-34-7,"3,4-dichloro-N-hydroxyaniline","3,4-dichloro-N-hydroxyaniline",ONc1ccc(Cl)c(Cl)c1,ONc1ccc(Cl)c(Cl)c1,"InChI=1/C6H5Cl2NO/c7-5-2-1-4(9-10)3-6(5)8/h1-3,9-10H",C6H5Cl2NO,,,,,,AKSIQQBEDAZPLD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.715,251-403-5,33203-82-6,"3,7-bis(diethylamino)phenoxazin-5-ium chloride","3,7-bis(diethylamino)phenoxazin-5-ium chloride",[Cl-].CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,[Cl-].CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,"InChI=1/C20H26N3O.ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H/q+1;/p-1",C20H26N3O.Cl,,,,,,IURGIPVDZKDLIX-UHFFFAOYSA-M,,,,,,,,,,,
100.046.717,251-405-6,33204-74-9,1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptan-2-one,4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one,CC(=C)C1CC2OC2(C)C(=O)C1,CC(=C)C1CC2OC2(C)C(=O)C1,"InChI=1/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3",C10H14O2,,,,,,YGMNGQDLUQECTO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.722,251-410-3,33229-34-4,"2,2'-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]bisethanol","2,2'-({4-[(2-hydroxyethyl)amino]-3-nitrophenyl}imino)diethanol",OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,"InChI=1/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2",C12H19N3O5,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10531,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.722,MIWUTEVJIISHCP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.723,251-411-9,33229-89-9,"Ethyl N,N-dimethylglycinate","ethyl N,N-dimethylglycinate",CCOC(=O)CN(C)C,CCOC(=O)CN(C)C,"InChI=1/C6H13NO2/c1-4-9-6(8)5-7(2)3/h4-5H2,1-3H3",C6H13NO2,,,,,,BGCNBOFPABQGNG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.636,285-429-3,85098-77-7,Methyl 4-(carbamoyl)-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate,methyl 4-carbamoyl-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate,COC(=O)N1CCC(CC1)(Nc2ccc(F)cc2)C(=O)N,COC(=O)N1CCC(CC1)(Nc2ccc(F)cc2)C(=O)N,"InChI=1/C14H18FN3O3/c1-21-13(20)18-8-6-14(7-9-18,12(16)19)17-11-4-2-10(15)3-5-11/h2-5,17H,6-9H2,1H3,(H2,16,19)",C14H18FN3O3,,,,,,GFVBHYAVXRMSIU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.640,285-434-0,85098-81-3,"2-(3,6-dimethyl-3-cyclohexen-1-yl)-1,3-dioxolane","2-(3,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane",CC1CC=C(C)CC1C2OCCO2,CC1CC=C(C)CC1C2OCCO2,"InChI=1/C11H18O2/c1-8-3-4-9(2)10(7-8)11-12-5-6-13-11/h3,9-11H,4-7H2,1-2H3",C11H18O2,,,,,,HEEXZQAYTWROCH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.196,278-339-0,75905-36-1,2-(dimethoxyphosphinyl)ethyl laurate,2-(dimethoxyphosphoryl)ethyl laurate,CCCCCCCCCCCC(=O)OCCP(=O)(OC)OC,CCCCCCCCCCCC(=O)OCCP(=O)(OC)OC,"InChI=1/C16H33O5P/c1-4-5-6-7-8-9-10-11-12-13-16(17)21-14-15-22(18,19-2)20-3/h4-15H2,1-3H3",C16H33O5P,,,,,,QBTRZYOPYJCGLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.204,278-347-4,75935-42-1,"N1-butyl-N6-(4-chlorophenyl)-8-hydroxynaphthalene-1,6-disulphonamide","N~1~-butyl-N~6~-(4-chlorophenyl)-8-hydroxynaphthalene-1,6-disulfonamide",CCCCNS(=O)(=O)c1cccc2cc(cc(O)c12)S(=O)(=O)Nc3ccc(Cl)cc3,CCCCNS(=O)(=O)c1cccc2cc(cc(O)c12)S(=O)(=O)Nc3ccc(Cl)cc3,"InChI=1/C20H21ClN2O5S2/c1-2-3-11-22-30(27,28)19-6-4-5-14-12-17(13-18(24)20(14)19)29(25,26)23-16-9-7-15(21)8-10-16/h4-10,12-13,22-24H,2-3,11H2,1H3",C20H21ClN2O5S2,,,,,,IMRRSJBOOMBNRC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.205,278-349-5,75935-43-2,"N1-butyl-8-hydroxy-N6-phenylnaphthalene-1,6-disulphonamide","N~1~-butyl-8-hydroxy-N~6~-phenylnaphthalene-1,6-disulfonamide",CCCCNS(=O)(=O)c1cccc2cc(cc(O)c12)S(=O)(=O)Nc3ccccc3,CCCCNS(=O)(=O)c1cccc2cc(cc(O)c12)S(=O)(=O)Nc3ccccc3,"InChI=1/C20H22N2O5S2/c1-2-3-12-21-29(26,27)19-11-7-8-15-13-17(14-18(23)20(15)19)28(24,25)22-16-9-5-4-6-10-16/h4-11,13-14,21-23H,2-3,12H2,1H3",C20H22N2O5S2,,,,,,CPJZPQGYJGXNTO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.208,278-352-1,75970-53-5,1-benzyl-N-piperidin-4-yl-1H-benzimidazol-2-amine dihydrobromide,1-benzyl-N-piperidin-4-yl-1H-benzimidazol-2-amine dihydrobromide,Br.Br.C(c1ccccc1)n2c(NC3CCNCC3)nc4ccccc24,Br.Br.C(c1ccccc1)n2c(NC3CCNCC3)nc4ccccc24,"InChI=1/C19H22N4.2BrH/c1-2-6-15(7-3-1)14-23-18-9-5-4-8-17(18)22-19(23)21-16-10-12-20-13-11-16;;/h1-9,16,20H,10-14H2,(H,21,22);2*1H",C19H22N4.2BrH,,,,,,QNSAKENZIKRDGL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.209,278-353-7,75970-64-8,1-(4-fluorobenzyl)-N-piperidin-4-yl-1H-benzimidazol-2-amine dihydrobromide,1-(4-fluorobenzyl)-N-piperidin-4-yl-1H-benzimidazol-2-amine dihydrobromide,Br.Br.Fc1ccc(Cn2c(NC3CCNCC3)nc4ccccc24)cc1,Br.Br.Fc1ccc(Cn2c(NC3CCNCC3)nc4ccccc24)cc1,"InChI=1/C19H21FN4.2BrH/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)23-19(24)22-16-9-11-21-12-10-16;;/h1-8,16,21H,9-13H2,(H,22,23);2*1H",C19H21FN4.2BrH,,,,,,IVXYTQSEWOVUDL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.220,278-365-2,76054-78-9,6-amino-6-deoxy-D-allose hydrochloride,6-amino-6-deoxy-D-allose hydrochloride,Cl.NC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O,Cl.NC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O,"InChI=1/C6H13NO5.ClH/c7-1-3(9)5(11)6(12)4(10)2-8;/h2-6,9-12H,1,7H2;1H",C6H13NO5.ClH,,,,,,QWHLASPBRRZDEV-HRDKBJBWSA-N,,,,,,,,,,,
100.071.225,278-371-5,76088-46-5,"2,2'-[(3-methoxypropyl)imino]bisethanol","2,2'-[(3-methoxypropyl)imino]diethanol",COCCCN(CCO)CCO,COCCCN(CCO)CCO,"InChI=1/C8H19NO3/c1-12-8-2-3-9(4-6-10)5-7-11/h10-11H,2-8H2,1H3",C8H19NO3,,,,,,WWFSTEZXAGUMLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.034,280-361-0,83275-34-7,"Allyl 3,3-dichloro-2,2,3-trifluoropropionate","allyl 3,3-dichloro-2,2,3-trifluoropropanoate",FC(Cl)(Cl)C(F)(F)C(=O)OCC=C,FC(Cl)(Cl)C(F)(F)C(=O)OCC=C,"InChI=1/C6H5Cl2F3O2/c1-2-3-13-4(12)5(9,10)6(7,8)11/h2H,1,3H2",C6H5Cl2F3O2,,,,,,YDSNWHBOQDVWSF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.037,280-364-7,83277-80-9,6-(heptylthio)-1H-purine,6-(heptylsulfanyl)-1H-purine,CCCCCCCSc1[nH]cnc2ncnc12,CCCCCCCSc1[nH]cnc2ncnc12,"InChI=1/C12H18N4S/c1-2-3-4-5-6-7-17-12-10-11(14-8-13-10)15-9-16-12/h8-9H,2-7H2,1H3,(H,13,14,15,16)",C12H18N4S,,,,,,AJMDBPAFRPBUDE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.039,280-366-8,83285-27-2,"2,3-dichloro-3-(phenylsulphonyl)acrylonitrile","2,3-dichloro-3-(phenylsulfonyl)acrylonitrile",Cl\\C(=C(\\Cl)/S(=O)(=O)c1ccccc1)\\C#N,Cl\C(=C(\Cl)/S(=O)(=O)c1ccccc1)\C#N,"InChI=1/C9H5Cl2NO2S/c10-8(6-12)9(11)15(13,14)7-4-2-1-3-5-7/h1-5H",C9H5Cl2NO2S,,,,,,PHKFZNHKWSVWNM-HJWRWDBZSA-N,,,,,,,,,,,
100.073.052,280-380-4,83386-35-0,"N-[[5-(2-fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide","N-{[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}thiophene-3-carboxamide",CN1C(CNC(=O)c2ccsc2)CN=C(c3ccccc3F)c4ccccc14,CN1C(CNC(=O)c2ccsc2)CN=C(c3ccccc3F)c4ccccc14,"InChI=1/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)",C22H20FN3OS,,,,,,NPGABYHTDVGGJK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.293,253-140-1,36635-61-7,(p-toluenesulphonyl)methyl isocyanide,1-[(isocyanomethyl)sulfonyl]-4-methylbenzene,Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-],Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-],"InChI=1/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3",C9H9NO2S,,,,,,CFOAUYCPAUGDFF-UHFFFAOYSA-N,,,,,,,,,,,
100.048.297,253-144-3,36637-19-1,"(±)-N-(2,6-dimethylphenyl)-2-(ethylpropylamino)butyramide monohydrochloride","N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide",CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,"InChI=1/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)",C17H28N2O.ClH,,,,,,VTUSIVBDOCDNHS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.934,252-743-7,35835-94-0,Ethyltriphenylphosphonium acetate,ethyl(triphenyl)phosphonium acetate,CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.CC(=O)[O-],CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.CC(=O)[O-],"InChI=1/C20H20P.C2H4O2/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2(3)4/h3-17H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1",C20H20P.C2H3O2,,,,,,HZZUMXSLPJFMCB-UHFFFAOYSA-M,,,,,,,,,,,
100.047.938,252-747-9,35838-12-1,"(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl trimethacrylate","(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl tris(2-methylacrylate)",CC(=C)C(=O)OCCN1C(=O)N(CCOC(=O)C(=C)C)C(=O)N(CCOC(=O)C(=C)C)C1=O,CC(=C)C(=O)OCCN1C(=O)N(CCOC(=O)C(=C)C)C(=O)N(CCOC(=O)C(=C)C)C1=O,"InChI=1/C21H27N3O9/c1-13(2)16(25)31-10-7-22-19(28)23(8-11-32-17(26)14(3)4)21(30)24(20(22)29)9-12-33-18(27)15(5)6/h1,3,5,7-12H2,2,4,6H3",C21H27N3O9,,,,,,KUELXNNGRPADJL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.939,252-748-4,35838-63-2,Clocoumarol,3-{1-[4-(2-chloroethyl)phenyl]butyl}-4-hydroxy-2H-chromen-2-one,CCCC(C1=C(O)c2ccccc2OC1=O)c3ccc(CCCl)cc3,CCCC(C1=C(O)c2ccccc2OC1=O)c3ccc(CCCl)cc3,"InChI=1/C21H21ClO3/c1-2-5-16(15-10-8-14(9-11-15)12-13-22)19-20(23)17-6-3-4-7-18(17)25-21(19)24/h3-4,6-11,16,23H,2,5,12-13H2,1H3",C21H21ClO3,,,,,,XEBSDNCEYSPGIU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.943,252-753-1,35844-74-7,"2-hydroxy-1,4-bis(phenylamino)anthraquinone","1,4-dianilino-2-hydroxy-9,10-anthraquinone",Oc1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1Nc5ccccc5,Oc1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1Nc5ccccc5,"InChI=1/C26H18N2O3/c29-21-15-20(27-16-9-3-1-4-10-16)22-23(24(21)28-17-11-5-2-6-12-17)26(31)19-14-8-7-13-18(19)25(22)30/h1-15,27-29H",C26H18N2O3,,,,,,LIOMCOAUQFHZKI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.947,252-757-3,35849-53-7,Ethyl N-[N2-[3-[bis(2-chloroethyl)amino]-3-phenyl-L-alanyl]-N5-[imino(nitroamino)methyl]-L-ornithyl]-L-norvalinate monohydrobromide,ethyl beta-[bis(2-chloroethyl)amino]-L-phenylalanyl-N~5~-(nitrocarbamimidoyl)-D-ornithyl-L-norvalinate hydrobromide,Br.CCC[C@H](NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)[C@@H](N)C(N(CCCl)CCCl)c1ccccc1)C(=O)OCC,Br.CCC[C@H](NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)[C@@H](N)C(N(CCCl)CCCl)c1ccccc1)C(=O)OCC,"InChI=1/C26H42Cl2N8O6.BrH/c1-3-9-20(25(39)42-4-2)33-23(37)19(12-8-15-31-26(30)34-36(40)41)32-24(38)21(29)22(18-10-6-5-7-11-18)35(16-13-27)17-14-28;/h5-7,10-11,19-22H,3-4,8-9,12-17,29H2,1-2H3,(H,32,38)(H,33,37)(H3,30,31,34);1H",C26H42Cl2N8O6.BrH,,,,,,ODJVXBXZQHPSNS-GSJIPYROSA-N,,,,,,,,,,,
100.047.948,252-758-9,35852-41-6,3-methylpentyl isovalerate,3-methylpentyl 3-methylbutanoate,CCC(C)CCOC(=O)CC(C)C,CCC(C)CCOC(=O)CC(C)C,"InChI=1/C11H22O2/c1-5-10(4)6-7-13-11(12)8-9(2)3/h9-10H,5-8H2,1-4H3",C11H22O2,,,,,,BCLOAPWHACMPQO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.949,252-759-4,35852-44-9,4-methylpentyl isobutyrate,4-methylpentyl 2-methylpropanoate,CC(C)CCCOC(=O)C(C)C,CC(C)CCCOC(=O)C(C)C,"InChI=1/C10H20O2/c1-8(2)6-5-7-12-10(11)9(3)4/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,AJCVRKAWPQPCAA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.952,252-763-6,35853-55-5,"Bis[2,8-di(trifluoromethyl)quinolin-4-yl-2-pyridyl] ketone","bis{3-[2,8-bis(trifluoromethyl)quinolin-4-yl]pyridin-2-yl}methanone",FC(F)(F)c1cc(c2cccnc2C(=O)c3ncccc3c4cc(nc5c(cccc45)C(F)(F)F)C(F)(F)F)c6cccc(c6n1)C(F)(F)F,FC(F)(F)c1cc(c2cccnc2C(=O)c3ncccc3c4cc(nc5c(cccc45)C(F)(F)F)C(F)(F)F)c6cccc(c6n1)C(F)(F)F,"InChI=1/C33H14F12N4O/c34-30(35,36)21-9-1-5-15-19(13-23(32(40,41)42)48-25(15)21)17-7-3-11-46-27(17)29(50)28-18(8-4-12-47-28)20-14-24(33(43,44)45)49-26-16(20)6-2-10-22(26)31(37,38)39/h1-14H",C17H8F6N2O,,,,,,BRBWPXWUHSCFBB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.953,252-764-1,35854-86-5,(Z)-non-6-en-1-ol,non-6-en-1-ol,CC\\C=C/CCCCCO,CC\C=C/CCCCCO,"InChI=1/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3",C9H18O,,,,,,XJHRZBIBSSVCEL-ARJAWSKDSA-N,,,,,,,,,,,
100.047.966,252-778-8,35889-00-0,4-cyclohexylphenylacetic acid,(4-cyclohexylphenyl)acetic acid,OC(=O)Cc1ccc(cc1)C2CCCCC2,OC(=O)Cc1ccc(cc1)C2CCCCC2,"InChI=1/C14H18O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,15,16)",C14H18O2,,,,,,ZHMWKJWMWIWEPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.969,252-781-4,35895-69-3,Tetraethylammonium trifluoromethanesulphonate,"N,N,N-triethylethanaminium trifluoromethanesulfonate",CC[N+](CC)(CC)CC.[O-]S(=O)(=O)C(F)(F)F,CC[N+](CC)(CC)CC.[O-]S(=O)(=O)C(F)(F)F,"InChI=1/C8H20N.CHF3O3S/c1-5-9(6-2,7-3)8-4;2-1(3,4)8(5,6)7/h5-8H2,1-4H3;(H,5,6,7)/q+1;/p-1",C8H20N.CF3O3S,,,,,,PUZYNDBTWXJXKN-UHFFFAOYSA-M,,,,,,,,,,,
100.047.972,252-785-6,35897-13-3,3-methylpentyl acetate,3-methylpentyl acetate,CCC(C)CCOC(=O)C,CCC(C)CCOC(=O)C,"InChI=1/C8H16O2/c1-4-7(2)5-6-10-8(3)9/h7H,4-6H2,1-3H3",C8H16O2,,,,,,NFYJZIICTJCGOR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.896,282-412-2,84196-04-3,2-chloro-5-(4-chlorophenoxy)-4-dimethylaminobenzenediazonium tetrafluoroborate,2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium tetrafluoroborate,CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[B-](F)(F)F,CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[B-](F)(F)F,"InChI=1/C14H12Cl2N3O.BF4/c1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;2-1(3,4)5/h3-8H,1-2H3;/q+1;-1",C14H12Cl2N3O.BF4,,,,,,PHPOJEIZIWDLPP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.900,282-416-4,84196-08-7,N-undecylglycine,N-undecylglycine,CCCCCCCCCCCNCC(=O)O,CCCCCCCCCCCNCC(=O)O,"InChI=1/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(15)16/h14H,2-12H2,1H3,(H,15,16)",C13H27NO2,,,,,,QZVLLXPELCRVPR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.909,282-426-9,84196-17-8,2-[[1-(benzyl)-4-piperidyl]amino]butyramide,2-[(1-benzylpiperidin-4-yl)amino]butanamide,CCC(NC1CCN(Cc2ccccc2)CC1)C(=O)N,CCC(NC1CCN(Cc2ccccc2)CC1)C(=O)N,"InChI=1/C16H25N3O/c1-2-15(16(17)20)18-14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3,(H2,17,20)",C16H25N3O,,,,,,LQPQEIAICVVOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.642,285-436-1,85098-83-5,Disodium 2-[1-ethyl-3-(2-methyl-4-nitrophenyl)-2-triazenyl]-5-sulphonatobenzoate,disodium 2-[1-ethyl-3-(2-methyl-4-nitrophenyl)triaz-2-en-1-yl]-5-sulfonatobenzoate,[Na+].[Na+].[O-]S(=O)(=O)c2ccc(N(N=Nc1ccc(cc1C)[N+]([O-])=O)CC)c(c2)C([O-])=O,[Na+].[Na+].[O-]S(=O)(=O)c2ccc(N(N=Nc1ccc(cc1C)[N+]([O-])=O)CC)c(c2)C([O-])=O,"InChI=1/C16H16N4O7S.2Na/c1-3-19(18-17-14-6-4-11(20(23)24)8-10(14)2)15-7-5-12(28(25,26)27)9-13(15)16(21)22;;/h4-9H,3H2,1-2H3,(H,21,22)(H,25,26,27);;/q;2*+1/p-2",C16H16N4O7S.2Na,,,,,,VLNCJXZCVKRHHM-UHFFFAOYSA-L,,,,,,,,,,,
100.077.650,285-445-0,85098-91-5,(Z)-hex-3-enyl nicotinate,hex-3-en-1-yl nicotinate,CC\\C=C/CCOC(=O)c1cccnc1,CC\C=C/CCOC(=O)c1cccnc1,"InChI=1/C12H15NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h3-4,6-8,10H,2,5,9H2,1H3",C12H15NO2,,,,,,LSLWGXIBZARONO-ARJAWSKDSA-N,,,,,,,,,,,
100.077.663,285-459-7,85099-06-5,[(2-hydroxytetradecyl)thio]acetic acid,[(2-hydroxytetradecyl)sulfanyl]acetic acid,CCCCCCCCCCCCC(O)CSCC(=O)O,CCCCCCCCCCCCC(O)CSCC(=O)O,"InChI=1/C16H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-20-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)",C16H32O3S,,,,,,QVLFKHLAOKXTEM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.669,285-466-5,85099-12-3,Bis(2-hydroxyoctadecyl) hydrogen phosphate,bis(2-hydroxyoctadecyl) hydrogen phosphate,CCCCCCCCCCCCCCCCC(O)COP(=O)(O)OCC(O)CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCC(O)COP(=O)(O)OCC(O)CCCCCCCCCCCCCCCC,"InChI=1/C36H75O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(37)33-41-43(39,40)42-34-36(38)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-34H2,1-2H3,(H,39,40)",C36H75O6P,,,,,,MWYSDMPRHDTUPB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.671,285-468-6,85099-14-5,"Ethyl a-cyanodecahydro-4,8,8-trimethyl-1,4-methanoazulene-9-propionate","ethyl 2-cyano-3-(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl)propanoate",CCOC(=O)C(CC1C2CCC3C2C(C)(C)CCCC13C)C#N,CCOC(=O)C(CC1C2CCC3C2C(C)(C)CCCC13C)C#N,"InChI=1/C20H31NO2/c1-5-23-18(22)13(12-21)11-16-14-7-8-15-17(14)19(2,3)9-6-10-20(15,16)4/h13-17H,5-11H2,1-4H3",C20H31NO2,,,,,,VJKTYQFKYNDHCW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.673,285-470-7,85099-16-7,Methyl 2-(dichloromethyl)benzoate,methyl 2-(dichloromethyl)benzoate,COC(=O)c1ccccc1C(Cl)Cl,COC(=O)c1ccccc1C(Cl)Cl,"InChI=1/C9H8Cl2O2/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5,8H,1H3",C9H8Cl2O2,,,,,,DQEGXTRMDKOZHF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.674,285-471-2,85099-17-8,"7,7-dichloro-a,a,6-trimethylbicyclo[4.1.0]heptane-3-methanol","2-(7,7-dichloro-6-methylbicyclo[4.1.0]hept-3-yl)propan-2-ol",CC(C)(O)C1CCC2(C)C(C1)C2(Cl)Cl,CC(C)(O)C1CCC2(C)C(C1)C2(Cl)Cl,"InChI=1/C11H18Cl2O/c1-9(2,14)7-4-5-10(3)8(6-7)11(10,12)13/h7-8,14H,4-6H2,1-3H3",C11H18Cl2O,,,,,,ZCMOCXGFGLUTHV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.228,278-374-1,76092-59-6,Magnesium di(thioborate),magnesium di(thioborate),[Mg+2].[Mg+2].[Mg+2].[O-]B([O-])[S-].[O-]B([O-])[S-],[Mg+2].[Mg+2].[Mg+2].[O-]B([O-])[S-].[O-]B([O-])[S-],InChI=1/2BO2S.3Mg/c2*2-1(3)4;;;/q2*-3;3*+2,BHS2.1/2Mg,,,,,,NGIIXYSGSCULHI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.233,278-379-9,76134-83-3,"(-)-1,2,3,4,4a,9-hexahydro-2-methyldibenzo[c,f]pyrimido[1,6-a]azepine fumarate","2-methyl-1,2,3,4,4a,9-hexahydrodibenzo[c,f]pyrimido[1,6-a]azepine but-2-enedioate",CN1CCC2N(C1)c3ccccc3Cc4ccccc24.OC(=O)\\C=C\\C(=O)O,CN1CCC2N(C1)c3ccccc3Cc4ccccc24.OC(=O)\C=C\C(=O)O,"InChI=1/C18H20N2.C4H4O4/c1-19-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20(18)13-19;5-3(6)1-2-4(7)8/h2-9,18H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)",C18H20N2.C4H4O4,,,,,,GUJPQBJNGCYMEC-WLHGVMLRSA-N,,,,,,,,,,,
100.071.236,278-383-0,76146-27-5,"2-amino-1-ethyl-1,5-dihydro-4H-imidazol-4-one","2-amino-1-ethyl-1,5-dihydro-4H-imidazol-4-one",CCN1CC(=O)N=C1N,CCN1CC(=O)N=C1N,"InChI=1/C5H9N3O/c1-2-8-3-4(9)7-5(8)6/h2-3H2,1H3,(H2,6,7,9)",C5H9N3O,,,,,,LCDGAYYHFKVEAR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.239,278-386-7,76172-68-4,"3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one","3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one",COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,"InChI=1/C16H16O5/c1-21-12-5-2-10(3-6-12)4-7-13(18)16-14(19)8-11(17)9-15(16)20/h2-3,5-6,8-9,17,19-20H,4,7H2,1H3",C16H16O5,,,,,,YQNPVOBVGNGYHD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.724,251-412-4,33231-00-4,"4-[[4-(dimethylamino)-m-tolyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride","4-{[4-(dimethylamino)-3-methylphenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-N,N,N-trimethylanilinium dichloride",[Cl-].[Cl-].CN(C)c1ccc(cc1C)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C,[Cl-].[Cl-].CN(C)c1ccc(cc1C)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C,"InChI=1/C27H35N3.2ClH/c1-20-19-23(13-18-26(20)29(4)5)27(21-9-14-24(15-10-21)28(2)3)22-11-16-25(17-12-22)30(6,7)8;;/h9-19H,1-8H3;2*1H/q+2;;/p-2",C27H35N3.2Cl,,,,,,FRCAGVUKJQCWBD-UHFFFAOYSA-L,,,,,,,,,,,
100.046.732,251-421-3,33240-96-9,3-nitroanilinium chloride,3-nitroanilinium chloride,[Cl-].[NH3+]c1cccc(c1)[N+](=O)[O-],[Cl-].[NH3+]c1cccc(c1)[N+](=O)[O-],"InChI=1/C6H6N2O2.ClH/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H,7H2;1H",C6H6N2O2.ClH,,,,,,FWUUMDDHHPVSPL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.463,277-532-7,73545-18-3,"(Z)-1,1-diethoxyhex-3-ene","1,1-diethoxyhex-3-ene",CCOC(C\\C=C/CC)OCC,CCOC(C\C=C/CC)OCC,"InChI=1/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3",C10H20O2,,,,,,IOBHVJHSBREPFR-FPLPWBNLSA-N,,,,,,,,,,,
100.070.468,277-537-4,73567-44-9,N-[2-[(2-chloro-6-cyano-4-nitrophenyl)azo]-5-(dipentylamino)phenyl]acetamide,N-{2-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-5-(dipentylamino)phenyl}acetamide,Clc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCCCC)CCCCC)[N+]([O-])=O,Clc2cc(cc(C#N)c2N=Nc1ccc(cc1NC(C)=O)N(CCCCC)CCCCC)[N+]([O-])=O,"InChI=1/C25H31ClN6O3/c1-4-6-8-12-31(13-9-7-5-2)20-10-11-23(24(16-20)28-18(3)33)29-30-25-19(17-27)14-21(32(34)35)15-22(25)26/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,28,33)",C25H31ClN6O3,,,,,,AHZLBMBTQAAODC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.482,277-553-1,73612-34-7,Barium bis[6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonate],barium bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate},[Ba+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O.Oc3ccc1ccccc1c3N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O,[Ba+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O.Oc3ccc1ccccc1c3N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O,"InChI=1/2C17H13ClN2O4S.Ba/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",C17H13ClN2O4S.1/2Ba,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10977,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.482,OTLKEWOVEAZDMR-UHFFFAOYSA-L,,,,,,,,,,,
100.070.492,277-564-1,73663-77-1,[4-[cyano(p-tolyl)methyl]phenyl]ammonium chloride,4-[cyano(4-methylphenyl)methyl]anilinium chloride,[Cl-].Cc1ccc(cc1)C(C#N)c2ccc([NH3+])cc2,[Cl-].Cc1ccc(cc1)C(C#N)c2ccc([NH3+])cc2,"InChI=1/C15H14N2.ClH/c1-11-2-4-12(5-3-11)15(10-16)13-6-8-14(17)9-7-13;/h2-9,15H,17H2,1H3;1H",C15H14N2.ClH,,,,,,UXWNAZIHSFDGKA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.493,277-565-7,73663-88-4,4-methoxyacridin-9-ol,4-methoxyacridin-9-ol,COc1cccc2c(O)c3ccccc3nc12,COc1cccc2c(O)c3ccccc3nc12,"InChI=1/C14H11NO2/c1-17-12-8-4-6-10-13(12)15-11-7-3-2-5-9(11)14(10)16/h2-8H,1H3,(H,15,16)",C14H11NO2,,,,,,ZYEVJRPVZZGDRM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.494,277-566-2,73664-02-5,(cyclopropylmethyl)trimethylammonium iodide,"cyclopropyl-N,N,N-trimethylmethanaminium iodide",[I-].C[N+](C)(C)CC1CC1,[I-].C[N+](C)(C)CC1CC1,"InChI=1/C7H16N.HI/c1-8(2,3)6-7-4-5-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1",C7H16N.I,,,,,,BEJANMZWXMSYMW-UHFFFAOYSA-M,,,,,,,,,,,
100.070.496,277-568-3,73688-69-4,1-ethyl-2-methyl-1H-benzimidazol-5-amine dihydrochloride,1-ethyl-2-methyl-1H-benzimidazol-5-amine dihydrochloride,Cl.Cl.CCn1c(C)nc2cc(N)ccc12,Cl.Cl.CCn1c(C)nc2cc(N)ccc12,"InChI=1/C10H13N3.2ClH/c1-3-13-7(2)12-9-6-8(11)4-5-10(9)13;;/h4-6H,3,11H2,1-2H3;2*1H",C10H13N3.2ClH,,,,,,QFDZWBFEBAPLOT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.143,254-076-7,38668-49-4,"1,1'-(m-tolylimino)dipropan-2-ol","1,1'-[(3-methylphenyl)imino]dipropan-2-ol",CC(O)CN(CC(C)O)c1cccc(C)c1,CC(O)CN(CC(C)O)c1cccc(C)c1,"InChI=1/C13H21NO2/c1-10-5-4-6-13(7-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3",C13H21NO2,,,,,,AGRSZBOCZMNJIN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.153,254-087-7,38690-79-8,4-[(4-propylbenzylidene)amino]benzonitrile,4-[(4-propylbenzylidene)amino]benzonitrile,CCCc2ccc(C=Nc1ccc(cc1)C#N)cc2,CCCc2ccc(C=Nc1ccc(cc1)C#N)cc2,"InChI=1/C17H16N2/c1-2-3-14-4-6-16(7-5-14)13-19-17-10-8-15(12-18)9-11-17/h4-11,13H,2-3H2,1H3",C17H16N2,,,,,,WNPUCDQWHSMXIN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.163,254-098-7,38713-13-2,"6,10-dimethylundecan-2-ol","6,10-dimethylundecan-2-ol",CC(C)CCCC(C)CCCC(C)O,CC(C)CCCC(C)CCCC(C)O,"InChI=1/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3",C13H28O,,,,,,GNJORAZPXCKMSY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.174,254-110-0,38732-22-8,"L-glutamic acid, compound with 2,2',2''-nitrilotrisethanol (1:1)","L-glutamic acid - 2,2',2''-nitrilotriethanol (1:1)",N[C@@H](CCC(=O)O)C(=O)O.OCCN(CCO)CCO,N[C@@H](CCC(=O)O)C(=O)O.OCCN(CCO)CCO,"InChI=1/C6H15NO3.C5H9NO4/c8-4-1-7(2-5-9)3-6-10;6-3(5(9)10)1-2-4(7)8/h8-10H,1-6H2;3H,1-2,6H2,(H,7,8)(H,9,10)",C6H15NO3.C5H9NO4,,,,,,TUBPSFQENHCYBW-HVDRVSQOSA-N,,,,,,,,,,,
100.049.185,254-122-6,38775-37-0,"Azelaic acid, compound with hexane-1,6-diamine (1:1)","nonanedioic acid - hexane-1,6-diamine (1:1)",NCCCCCCN.OC(=O)CCCCCCCC(=O)O,NCCCCCCN.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C6H16N2/c10-8(11)6-4-2-1-3-5-7-9(12)13;7-5-3-1-2-4-6-8/h1-7H2,(H,10,11)(H,12,13);1-8H2",C9H16O4.C6H16N2,,,,,,LQNCHIQVPSEFRS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.056,280-385-1,83399-72-8,"Disodium 1-amino-4-[[3-[[3-chloro-1-oxo-3-(phenylsulphonyl)propyl]amino]-2-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(3-{[3-chloro-3-(phenylsulfonyl)propanoyl]amino}-2-methyl-5-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1c(NC(=O)CC(Cl)S(=O)(=O)c2ccccc2)cc(cc1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Cc1c(NC(=O)CC(Cl)S(=O)(=O)c2ccccc2)cc(cc1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C30H24ClN3O11S3.2Na/c1-15-20(11-17(47(40,41)42)12-21(15)34-25(35)14-24(31)46(38,39)16-7-3-2-4-8-16)33-22-13-23(48(43,44)45)28(32)27-26(22)29(36)18-9-5-6-10-19(18)30(27)37;;/h2-13,24,33H,14,32H2,1H3,(H,34,35)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C30H24ClN3O11S3.2Na,,,,,,DQRFMIDINUOBPR-UHFFFAOYSA-L,,,,,,,,,,,
100.073.062,280-391-4,83399-78-4,4-[(5-chloro-2-methylphenyl)azo]-N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide,4-[(5-chloro-2-methylphenyl)diazenyl]-N-(4-chlorophenyl)-3-hydroxy-2-naphthamide,Cc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(Cl)cc1)c2O,Cc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(Cl)cc1)c2O,"InChI=1/C24H17Cl2N3O2/c1-14-6-7-17(26)13-21(14)28-29-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)27-18-10-8-16(25)9-11-18/h2-13,30H,1H3,(H,27,31)",C24H17Cl2N3O2,,,,,,WHRWETMIEWDFCP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.249,280-596-9,83732-49-4,(3-chloro-1-ethoxypropyl)benzene,(3-chloro-1-ethoxypropyl)benzene,CCOC(CCCl)c1ccccc1,CCOC(CCCl)c1ccccc1,"InChI=1/C11H15ClO/c1-2-13-11(8-9-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3",C11H15ClO,,,,,,DTXVPDFYMAYILK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.898,282-414-3,84196-06-5,1-methylbutyl dihydrogen phosphate,1-methylbutyl dihydrogen phosphate,OP(=O)(O)OC(C)CCC,OP(=O)(O)OC(C)CCC,"InChI=1/C5H13O4P/c1-3-4-5(2)9-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)",C6H15O4P,,,,,,NCVVTDLFKVYDRI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.901,282-418-5,84196-09-8,4-(diethylamino)-2-methyl-2-butenoic acid,4-(diethylamino)-2-methylbut-2-enoic acid,CCN(CC=C(C)C(O)=O)CC,CCN(CC=C(C)C(O)=O)CC,"InChI=1/C9H17NO2/c1-4-10(5-2)7-6-8(3)9(11)12/h6H,4-5,7H2,1-3H3,(H,11,12)",C9H17NO2,,,,,,RKCYYKCHYZJRKP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.902,282-419-0,84196-10-1,"1-[(4-fluorophenyl)methyl]-2,3-dihydro-2-(methylamino)quinazolin-4(1H)-one","1-(4-fluorobenzyl)-2-(methylamino)-2,3-dihydroquinazolin-4(1H)-one",CNC1NC(=O)c2ccccc2N1Cc3ccc(F)cc3,CNC1NC(=O)c2ccccc2N1Cc3ccc(F)cc3,"InChI=1/C16H16FN3O/c1-18-16-19-15(21)13-4-2-3-5-14(13)20(16)10-11-6-8-12(17)9-7-11/h2-9,16,18H,10H2,1H3,(H,19,21)",C16H16FN3O,,,,,,IBDIVVAMYPQHIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.652,285-447-1,85098-93-7,"Methyl 3-chloro-2,5-dimethyl-6-hydroxy-p-anisate","methyl 3-chloro-6-hydroxy-4-methoxy-2,5-dimethylbenzoate",COC(=O)c1c(C)c(Cl)c(OC)c(C)c1O,COC(=O)c1c(C)c(Cl)c(OC)c(C)c1O,"InChI=1/C11H13ClO4/c1-5-7(11(14)16-4)9(13)6(2)10(15-3)8(5)12/h13H,1-4H3",C11H13ClO4,,,,,,ALHKAHMAUJFZGF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.655,285-450-8,85098-96-0,[[(3-butoxypropyl)imino]bis(methylene)]bisphosphonic acid,{[(3-butoxypropyl)imino]bis(methylene)}bis(phosphonic acid),CCCCOCCCN(CP(=O)(O)O)CP(=O)(O)O,CCCCOCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C9H23NO7P2/c1-2-3-6-17-7-4-5-10(8-18(11,12)13)9-19(14,15)16/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)",C9H23NO7P2,,,,,,LVOJNULPXOXYRA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.657,285-452-9,85098-98-2,"1-docosyl dihydrogen benzene-1,2,4-tricarboxylate",4-[(docosyloxy)carbonyl]isophthalic acid,CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O,"InChI=1/C31H50O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-31(36)27-23-22-26(29(32)33)25-28(27)30(34)35/h22-23,25H,2-21,24H2,1H3,(H,32,33)(H,34,35)",C31H50O6,,,,,,BVHZVLKWODIZIW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.659,285-455-5,85099-02-1,1-(methoxymethyl)propyl isothiocyanate,2-isothiocyanato-1-methoxybutane,CCC(COC)N=C=S,CCC(COC)N=C=S,"InChI=1/C6H11NOS/c1-3-6(4-8-2)7-5-9/h6H,3-4H2,1-2H3",C6H11NOS,,,,,,IVNMWEWWGCVXEY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.660,285-456-0,85099-03-2,Methyl 3-[(2-hydroxyethyl)thio]isobutyrate,methyl 3-[(2-hydroxyethyl)sulfanyl]-2-methylpropanoate,COC(=O)C(C)CSCCO,COC(=O)C(C)CSCCO,"InChI=1/C7H14O3S/c1-6(7(9)10-2)5-11-4-3-8/h6,8H,3-5H2,1-2H3",C7H14O3S,,,,,,XAFXZVSBSOVWPK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.665,285-461-8,85099-08-7,3-[(2-hydroxytetradecyl)thio]propionic acid,3-[(2-hydroxytetradecyl)sulfanyl]propanoic acid,CCCCCCCCCCCCC(O)CSCCC(=O)O,CCCCCCCCCCCCC(O)CSCCC(=O)O,"InChI=1/C17H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)15-21-14-13-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)",C17H34O3S,,,,,,BDJVDTNFHGGXPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.668,285-464-4,85099-11-2,Bis(2-hydroxyhexadecyl) hydrogen phosphate,bis(2-hydroxyhexadecyl) hydrogen phosphate,CCCCCCCCCCCCCCC(O)COP(=O)(O)OCC(O)CCCCCCCCCCCCCC,CCCCCCCCCCCCCCC(O)COP(=O)(O)OCC(O)CCCCCCCCCCCCCC,"InChI=1/C32H67O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(33)29-37-39(35,36)38-30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30H2,1-2H3,(H,35,36)",C32H67O6P,,,,,,XDMARPMWIHTFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.670,285-467-0,85099-13-4,2-ethyl-3-[bicyclo[2.2.1]hept-2-yl]propyl acetate,2-(bicyclo[2.2.1]hept-2-ylmethyl)butyl acetate,CCC(COC(=O)C)CC1CC2CCC1C2,CCC(COC(=O)C)CC1CC2CCC1C2,"InChI=1/C14H24O2/c1-3-11(9-16-10(2)15)6-14-8-12-4-5-13(14)7-12/h11-14H,3-9H2,1-2H3",C14H24O2,,,,,,QFCDGLRMLBAVGY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.283,256-430-6,49690-63-3,Tris(dibromophenyl) phosphate,"tris(2,3-dibromophenyl) phosphate",Brc1cccc(OP(=O)(Oc2cccc(Br)c2Br)Oc3cccc(Br)c3Br)c1Br,Brc1cccc(OP(=O)(Oc2cccc(Br)c2Br)Oc3cccc(Br)c3Br)c1Br,"InChI=1/C18H9Br6O4P/c19-10-4-1-7-13(16(10)22)26-29(25,27-14-8-2-5-11(20)17(14)23)28-15-9-3-6-12(21)18(15)24/h1-9H",C18H9Br6O4P,,,,,,LRSNDFOWYYKLHB-UHFFFAOYSA-N,,,,,,,,,,,
100.051.285,256-432-7,49691-65-8,N'-[[(2-benzoyl-4-chlorophenyl)(chloroacetyl)amino]methylene]chloroacetohydrazide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-[(chloroacetyl)carbonohydrazonoyl]acetamide,Clc1cc(c(cc1)N(C=NNC(=O)CCl)C(=O)CCl)C(=O)c2ccccc2,Clc1cc(c(cc1)N(C=NNC(=O)CCl)C(=O)CCl)C(=O)c2ccccc2,"InChI=1/C18H14Cl3N3O3/c19-9-16(25)23-22-11-24(17(26)10-20)15-7-6-13(21)8-14(15)18(27)12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,23,25)",C18H14Cl3N3O3,,,,,,STLKPHPAWBZAEH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.286,256-433-2,49693-09-6,Diallyl tetrabromophthalate,"diallyl 3,4,5,6-tetrabromophthalate",Brc1c(Br)c(Br)c(C(=O)OCC=C)c(C(=O)OCC=C)c1Br,Brc1c(Br)c(Br)c(C(=O)OCC=C)c(C(=O)OCC=C)c1Br,"InChI=1/C14H10Br4O4/c1-3-5-21-13(19)7-8(14(20)22-6-4-2)10(16)12(18)11(17)9(7)15/h3-4H,1-2,5-6H2",C14H10Br4O4,,,,,,FZGLNDYBTGMDDR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.288,256-435-3,49701-24-8,"4-amino-2,5-dimethoxy-N-methylbenzenesulphonamide","4-amino-2,5-dimethoxy-N-methylbenzenesulfonamide",CNS(=O)(=O)c1cc(OC)c(N)cc1OC,CNS(=O)(=O)c1cc(OC)c(N)cc1OC,"InChI=1/C9H14N2O4S/c1-11-16(12,13)9-5-7(14-2)6(10)4-8(9)15-3/h4-5,11H,10H2,1-3H3",C9H14N2O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5400,https://echa.europa.eu/substance-information/-/substanceinfo/100.051.288,CISVVDNATRQDNU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.289,256-436-9,49705-98-8,"Benzyl [R-(R*,S*)]-(1-carbamoyl-2-hydroxypropyl)carbamate",benzyl (1-carbamoyl-2-hydroxypropyl)carbamate,CC(O)C(NC(=O)OCc1ccccc1)C(=O)N,CC(O)C(NC(=O)OCc1ccccc1)C(=O)N,"InChI=1/C12H16N2O4/c1-8(15)10(11(13)16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)",C12H16N2O4,,,,,,PYZXYZOBPGPOFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.290,256-437-4,49705-99-9,"[R-(R*,S*)]-2-amino-3-hydroxybutyramide",threoninamide,CC(O)C(N)C(=O)N,CC(O)C(N)C(=O)N,"InChI=1/C4H10N2O2/c1-2(7)3(5)4(6)8/h2-3,7H,5H2,1H3,(H2,6,8)",C4H10N2O2,,,,,,PZUOEYPTQJILHP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.301,256-450-5,49723-69-5,Diphenyliodonium hydrogen sulphate,diphenyliodonium hydrogen sulfate,[O-]S(=O)(=O)[O-].[I+](c1ccccc1)c2ccccc2,[O-]S(=O)(=O)[O-].[I+](c1ccccc1)c2ccccc2,"InChI=1/C12H10I.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;(H2,1,2,3,4)/q+1;/p-2",C12H10I.HO4S,,,,,,BCQKUSCWNFMCKI-UHFFFAOYSA-L,,,,,,,,,,,
100.051.307,256-456-8,49744-25-4,"1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-5-[(2-nitrophenyl)azo]-2-oxonicotinonitrile","1-ethyl-6-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1ccccc1[N+]([O-])=O)=C(\\O)N2CC,O=C2C(/C#N)=C(/C)\C(\N=Nc1ccccc1[N+]([O-])=O)=C(\O)N2CC,"InChI=1/C15H13N5O4/c1-3-19-14(21)10(8-16)9(2)13(15(19)22)18-17-11-6-4-5-7-12(11)20(23)24/h4-7,22H,3H2,1-2H3",C15H13N5O4,,,,,,PIXVCSDTGBDWNM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.314,256-464-1,49745-95-1,4-[2-[[3-(p-hydroxyphenyl)-1-methylpropyl]amino]ethyl]pyrocatechol hydrochloride,"4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol hydrochloride",Cl.CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2,Cl.CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2,"InChI=1/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H",C18H23NO3.ClH,,,,,,BQKADKWNRWCIJL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.316,256-466-2,49751-82-8,"(1a,2ß,5a)-6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde","6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde",CC1(C)[C@H]2CC[C@H](C=O)[C@@H]1C2,CC1(C)[C@H]2CC[C@H](C=O)[C@@H]1C2,"InChI=1/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h6-9H,3-5H2,1-2H3",C10H16O,,,,,,OOCLVMCVOWKECB-VGMNWLOBSA-N,,,,,,,,,,,
100.051.322,256-473-0,49755-98-8,3-[[[2-(methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid,3-{[2-(methylamino)-2-oxoethyl]carbamoyl}-5-nitrobenzoic acid,CNC(=O)CNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,CNC(=O)CNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,"InChI=1/C11H11N3O6/c1-12-9(15)5-13-10(16)6-2-7(11(17)18)4-8(3-6)14(19)20/h2-4H,5H2,1H3,(H,12,15)(H,13,16)(H,17,18)",C11H11N3O6,,,,,,UIOBXDKWRKEHET-UHFFFAOYSA-N,,,,,,,,,,,
100.051.327,256-478-8,49763-65-7,4-pentylbenzoyl chloride,4-pentylbenzoyl chloride,CCCCCc1ccc(cc1)C(=O)Cl,CCCCCc1ccc(cc1)C(=O)Cl,"InChI=1/C12H15ClO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3",C12H15ClO,,,,,,FBBRKYLXMNQFQU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.998,256-116-9,43145-62-6,Sodium diethylbenzenesulphonate,"sodium 2,3-diethylbenzenesulfonate",[Na+].CCc1cccc(c1CC)S(=O)(=O)[O-],[Na+].CCc1cccc(c1CC)S(=O)(=O)[O-],"InChI=1/C10H14O3S.Na/c1-3-8-6-5-7-10(9(8)4-2)14(11,12)13;/h5-7H,3-4H2,1-2H3,(H,11,12,13);/q;+1/p-1",C10H14O3S.Na,,,,,,SKJRBEMRFHEXMA-UHFFFAOYSA-M,,,,,,,,,,,
100.050.999,256-117-4,43146-97-0,"1,1'-oxydiundecane","1,1'-oxydiundecane",CCCCCCCCCCCOCCCCCCCCCCC,CCCCCCCCCCCOCCCCCCCCCCC,"InChI=1/C22H46O/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",C22H46O,,,,,,TXYKVMGAIGVXFY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.242,278-389-3,76213-48-4,3-methyl-5-phenyl-2-[2-[[3-(3-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]benzoxazolium,"4-[2-{2-[(3-methyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylene]butylidene}-1,3-benzoselenazol-3(2H)-yl]butane-2-sulfonate",C[n+]3c4cc(ccc4oc3C=C(CC)C=C2[Se]c1ccccc1N2CCC(C)S([O-])(=O)=O)c5ccccc5,C[n+]3c4cc(ccc4oc3C=C(CC)C=C2[Se]c1ccccc1N2CCC(C)S([O-])(=O)=O)c5ccccc5,"InChI=1/C30H30N2O4SSe/c1-4-22(18-29-31(3)26-20-24(14-15-27(26)36-29)23-10-6-5-7-11-23)19-30-32(17-16-21(2)37(33,34)35)25-12-8-9-13-28(25)38-30/h5-15,18-21H,4,16-17H2,1-3H3",C30H30N2O4SSe,,,,,,QDAWKUJXWZSGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.243,278-390-9,76213-76-8,"7-[[2-[(aminocarbonyl)amino]-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid","7-({2-(carbamoylamino)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl)naphthalene-1,3,6-trisulfonic acid",Clc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4,Clc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4,"InChI=1/C20H14Cl2N8O10S3/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,24,26,27,28)",C20H14Cl2N8O10S3,,,,,,JGHYLRKFEBSKQG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.246,278-394-0,76233-81-3,4-[[4-(benzoylamino)-2-methoxy-5-methylphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide,4-{[4-(benzoylamino)-2-methoxy-5-methylphenyl]diazenyl}-3-hydroxy-N-phenyl-2-naphthamide,COc5cc(NC(=O)c1ccccc1)c(C)cc5N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2)c3O,COc5cc(NC(=O)c1ccccc1)c(C)cc5N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2)c3O,"InChI=1/C32H26N4O4/c1-20-17-27(28(40-2)19-26(20)34-31(38)21-11-5-3-6-12-21)35-36-29-24-16-10-9-13-22(24)18-25(30(29)37)32(39)33-23-14-7-4-8-15-23/h3-19,37H,1-2H3,(H,33,39)(H,34,38)",C32H26N4O4,,,,,,ZHCVURIUBDGMAR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.063,280-393-5,83399-79-5,4-[[4-(acetylamino)-2-nitrophenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide,4-[(4-acetamido-2-nitrophenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(NC(C)=O)cc2[N+]([O-])=O)c3O,COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(NC(C)=O)cc2[N+]([O-])=O)c3O,"InChI=1/C26H21N5O6/c1-15(32)27-17-11-12-20(22(14-17)31(35)36)29-30-24-18-8-4-3-7-16(18)13-19(25(24)33)26(34)28-21-9-5-6-10-23(21)37-2/h3-14,33H,1-2H3,(H,27,32)(H,28,34)",C26H21N5O6,,,,,,CMYASYSWCBRSNN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.064,280-394-0,83399-81-9,4-[[5-[(dimethylamino)sulphonyl]-2-methylphenyl]azo]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide,4-{[5-(dimethylsulfamoyl)-2-methylphenyl]diazenyl}-N-(2-ethoxyphenyl)-3-hydroxy-2-naphthamide,CCOc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)S(=O)(=O)N(C)C)c3O,CCOc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)S(=O)(=O)N(C)C)c3O,"InChI=1/C28H28N4O5S/c1-5-37-25-13-9-8-12-23(25)29-28(34)22-16-19-10-6-7-11-21(19)26(27(22)33)31-30-24-17-20(15-14-18(24)2)38(35,36)32(3)4/h6-17,33H,5H2,1-4H3,(H,29,34)",C28H28N4O5S,,,,,,IJSNKMYMVCHZJC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.070,280-400-1,83399-87-5,"Disodium 1-amino-4-[[4-[[[(2,3-dichloro-6-quinoxalinyl)carbonyl]methylamino]methyl]-2-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-{[4-({[2-(2,3-dichloroquinoxalin-6-yl)-2-oxoethyl]amino}methyl)-2-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(CNCC(=O)c5ccc6nc(Cl)c(Cl)nc6c5)cc4S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(CNCC(=O)c5ccc6nc(Cl)c(Cl)nc6c5)cc4S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C31H21Cl2N5O9S2.2Na/c32-30-31(33)38-20-10-15(6-8-18(20)37-30)22(39)13-35-12-14-5-7-19(23(9-14)48(42,43)44)36-21-11-24(49(45,46)47)27(34)26-25(21)28(40)16-3-1-2-4-17(16)29(26)41;;/h1-11,35-36H,12-13,34H2,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C31H21Cl2N5O9S2.2Na,,,,,,IBADSEDLTLTLAF-UHFFFAOYSA-L,,,,,,,,,,,
100.073.082,280-413-2,83399-99-9,"Trisodium 4-(benzoylamino)-6-[[5-[[[(2,3-dichloroquinoxalin-6-yl)carbonyl]methylamino]methyl]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-1,7-disulphonate","trisodium 4-(benzoylamino)-6-{[5-({[2-(2,3-dichloroquinoxalin-6-yl)-2-oxoethyl]amino}methyl)-2-sulfonatophenyl]diazenyl}-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc2c(ccc(NC(=O)c1ccccc1)c2c(O)c6N=Nc3cc(ccc3S([O-])(=O)=O)CNCC(=O)c4cc5nc(Cl)c(Cl)nc5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc2c(ccc(NC(=O)c1ccccc1)c2c(O)c6N=Nc3cc(ccc3S([O-])(=O)=O)CNCC(=O)c4cc5nc(Cl)c(Cl)nc5cc4)S([O-])(=O)=O,"InChI=1/C34H24Cl2N6O12S3.3Na/c35-32-33(36)39-23-13-19(7-8-21(23)38-32)25(43)16-37-15-17-6-10-27(56(49,50)51)24(12-17)41-42-30-28(57(52,53)54)14-20-26(55(46,47)48)11-9-22(29(20)31(30)44)40-34(45)18-4-2-1-3-5-18;;;/h1-14,37,44H,15-16H2,(H,40,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C34H24Cl2N6O12S3.3Na,,,,,,MBHWQCFJZPZRGR-UHFFFAOYSA-K,,,,,,,,,,,
100.074.910,282-427-4,84196-18-9,"N2-(1-benzyl-4-piperidyl)butane-1,2-diamine","N~2~-(1-benzylpiperidin-4-yl)butane-1,2-diamine",CCC(CN)NC1CCN(Cc2ccccc2)CC1,CCC(CN)NC1CCN(Cc2ccccc2)CC1,"InChI=1/C16H27N3/c1-2-15(12-17)18-16-8-10-19(11-9-16)13-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13,17H2,1H3",C16H27N3,,,,,,QUFUCZKLZXBWAU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.914,282-432-1,84196-22-5,"Bis[4-(phenylazo)benzene-1,3-diamine] sulphate","4-(phenyldiazenyl)benzene-1,3-diamine sulfate (2:1)",OS(O)(=O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2.Nc2ccc(N=Nc1ccccc1)c(N)c2,OS(O)(=O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2.Nc2ccc(N=Nc1ccccc1)c(N)c2,"InChI=1/2C12H12N4.H2O4S/c2*13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-5(2,3)4/h2*1-8H,13-14H2;(H2,1,2,3,4)",C12H12N4.1/2H2O4S,,,,,,RFJSYECVGBBDGY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.186,254-123-1,38775-38-1,Hexadecane-1-sulphonyl chloride,hexadecane-1-sulfonyl chloride,CCCCCCCCCCCCCCCCS(=O)(=O)Cl,CCCCCCCCCCCCCCCCS(=O)(=O)Cl,"InChI=1/C16H33ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3",C16H33ClO2S,,,,,,YOSVFFVBSPQTTP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.399,281-865-3,84045-63-6,"Trisodium 5-[[5-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate","trisodium 4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate",[Na+].[Na+].[Na+].O=C4C(/CS([O-])(=O)=O)=C(/C)\\C(\\N=Nc3cc(Nc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(Cl)n2)ccc3S([O-])(=O)=O)=C(\\O)N4CC,[Na+].[Na+].[Na+].O=C4C(/CS([O-])(=O)=O)=C(/C)\C(\N=Nc3cc(Nc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(Cl)n2)ccc3S([O-])(=O)=O)=C(\O)N4CC,"InChI=1/C24H23ClN8O11S3.3Na/c1-3-33-20(34)16(11-45(36,37)38)12(2)19(21(33)35)32-31-17-10-14(7-8-18(17)47(42,43)44)27-24-29-22(25)28-23(30-24)26-13-5-4-6-15(9-13)46(39,40)41;;;/h4-10,35H,3,11H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30);;;/q;3*+1/p-3",C24H23ClN8O11S3.3Na,,,,,,IPMILRMSRPPRDU-UHFFFAOYSA-K,,,,,,,,,,,
100.074.402,281-869-5,84045-67-0,Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methyl-4-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-(phenylazo)naphthalene-2-sulphonate,trisodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methyl-4-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-(phenyldiazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5C)S([O-])(=O)=O)c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5C)S([O-])(=O)=O)c6O)S([O-])(=O)=O,"InChI=1/C34H26N6O12S3.3Na/c1-18-13-24(53(44,45)46)9-12-27(18)38-40-31-29(55(50,51)52)17-20-15-23(8-11-26(20)33(31)42)36-34(43)35-22-7-10-25-19(14-22)16-28(54(47,48)49)30(32(25)41)39-37-21-5-3-2-4-6-21;;;/h2-17,41-42H,1H3,(H2,35,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3",C34H26N6O12S3.3Na,,,,,,PLPYYJOKXLXXIR-UHFFFAOYSA-K,,,,,,,,,,,
100.074.404,281-871-6,84051-82-1,"3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium acetate","3-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium acetate",[O-]C(C)=O.CCN(CC)c1ccc(cc1)N=N\\C2=N\\[NH+](C)CN2C,[O-]C(C)=O.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C,"InChI=1/C14H22N6.C2H4O2/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-2(3)4/h7-10H,5-6,11H2,1-4H3;1H3,(H,3,4)",C14H21N6.C2H3O2,,,,,,SXIFEXXRCTYIPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.405,281-872-1,84051-83-2,"5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium acetate","5-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium acetate",CN2/C=N\\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.[O-]C(C)=O,CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.[O-]C(C)=O,"InChI=1/C14H22N6.C2H4O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-2(3)4/h7-11,14H,5-6H2,1-4H3;1H3,(H,3,4)",C14H21N6.C2H3O2,,,,,,SMVRWBLZPDKCRL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.408,281-875-8,84051-86-5,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium thiocyanate","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethyl}pyridinium thiocyanate",[S-]C#N.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)c(Cl)c3,[S-]C#N.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C22H22Cl2N5O2.CHNS/c1-3-28(12-11-27-9-5-4-6-10-27)17-7-8-21(16(2)13-17)25-26-22-19(23)14-18(29(30)31)15-20(22)24;2-1-3/h4-10,13-15H,3,11-12H2,1-2H3;3H/q+1;/p-1",C22H22Cl2N5O2.CNS,,,,,,VGOORXVNJHSKPR-UHFFFAOYSA-M,,,,,,,,,,,
100.074.412,281-880-5,84051-90-1,"Hexasodium 7,7'-[1,2-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis(naphthalene-1,3,6-trisulphonate)","hexasodium 7,7'-(1,2-phenylenebis{imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(carbamoylamino)-4,1-phenylene]diazene-2,1-diyl})dinaphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)Nc9ccccc9Nc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc7)nc(Cl)n8)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)Nc9ccccc9Nc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc7)nc(Cl)n8)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C46H34Cl2N18O20S6.6Na/c47-39-57-43(51-21-5-7-29(31(13-21)53-41(49)67)63-65-33-17-25-19(11-37(33)91(81,82)83)9-23(87(69,70)71)15-35(25)89(75,76)77)61-45(59-39)55-27-3-1-2-4-28(27)56-46-60-40(48)58-44(62-46)52-22-6-8-30(32(14-22)54-42(50)68)64-66-34-18-26-20(12-38(34)92(84,85)86)10-24(88(72,73)74)16-36(26)90(78,79)80;;;;;;/h1-18H,(H3,49,53,67)(H3,50,54,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,51,55,57,59,61)(H2,52,56,58,60,62);;;;;;/q;6*+1/p-6",C46H34Cl2N18O20S6.6Na,,,,,,HVBKENDZWQTFQH-UHFFFAOYSA-H,,,,,,,,,,,
100.071.232,278-378-3,76128-33-1,"p-(2,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid","4-(3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=C(C)C(=O)N(N1)c2ccc(cc2)S(=O)(=O)O,CC1=C(C)C(=O)N(N1)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C11H12N2O4S/c1-7-8(2)12-13(11(7)14)9-3-5-10(6-4-9)18(15,16)17/h3-6,12H,1-2H3,(H,15,16,17)",C11H12N2O4S,,,,,,BVUMRDLXYLFPAE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.249,278-397-7,76238-22-7,(Z)-non-6-enyl acetate,non-6-en-1-yl acetate,CC\\C=C/CCCCCOC(=O)C,CC\C=C/CCCCCOC(=O)C,"InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5H,3,6-10H2,1-2H3",C11H20O2,,,,,,DFRXMRZQBMFKMI-PLNGDYQASA-N,,,,,,,,,,,
100.072.877,280-188-0,83072-25-7,(4-methoxyphenyl)(4-methoxybenzylidene)acetic acid,"2,3-bis(4-methoxyphenyl)acrylic acid",COc1ccc(cc1)C(=Cc2ccc(OC)cc2)C(O)=O,COc1ccc(cc1)C(=Cc2ccc(OC)cc2)C(O)=O,"InChI=1/C17H16O4/c1-20-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)",C17H16O4,,,,,,DUVDSIWOHRUZCS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.878,280-189-6,83072-49-5,"a,a'-[oxybis(methylene)]bisbenzyl alcohol","2,2'-oxybis(1-phenylethanol)",OC(COCC(O)c1ccccc1)c2ccccc2,OC(COCC(O)c1ccccc1)c2ccccc2,"InChI=1/C16H18O3/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2",C16H18O3,,,,,,YUFBLWYGGOUMMA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.912,282-430-0,84196-20-3,(4-amino-2-chloro-5-isopropylphenyl)(4-chlorophenyl)acetonitrile,(4-amino-2-chloro-5-isopropylphenyl)(4-chlorophenyl)acetonitrile,CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N,CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N,"InChI=1/C17H16Cl2N2/c1-10(2)13-7-14(16(19)8-17(13)21)15(9-20)11-3-5-12(18)6-4-11/h3-8,10,15H,21H2,1-2H3",C17H16Cl2N2,,,,,,KRPCKIYOWMLSKB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.930,282-449-4,84215-44-1,3-chloro-4-(hexahydro-1H-azepin-1-yl)benzenediazonium tetrachlorozincate (2:1),bis(4-azepan-1-yl-3-chlorobenzenediazonium) tetrachlorozincate(2-),Clc1cc(ccc1N2CCCCCC2)[N+]#N.Clc3cc(ccc3N4CCCCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,Clc1cc(ccc1N2CCCCCC2)[N+]#N.Clc3cc(ccc3N4CCCCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C12H15ClN3.4ClH.Zn/c2*13-11-9-10(15-14)5-6-12(11)16-7-3-1-2-4-8-16;;;;;/h2*5-6,9H,1-4,7-8H2;4*1H;/q2*+1;;;;;+2/p-4/r2C12H15ClN3.Cl4Zn/c2*13-11-9-10(15-14)5-6-12(11)16-7-3-1-2-4-8-16;1-5(2,3)4/h2*5-6,9H,1-4,7-8H2;/q2*+1;-2",C12H15ClN3.1/2Cl4Zn,,,,,,XVWOPPJVVPXFRU-UHFFFAOYSA-J,,,,,,,,,,,
100.074.934,282-454-1,84215-48-5,"Disodium 3-[[2-[(dihydroxyarsino)oxy]phenyl]azo]-4,5-dihydroxynaphthalene-2,7-disulphonate","disodium 3-({2-[(dihydroxyarsino)oxy]phenyl}diazenyl)-4,5-dihydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].O[As](O)Oc3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].O[As](O)Oc3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H13AsN2O11S2.2Na/c20-11-7-9(31(24,25)26)5-8-6-13(32(27,28)29)15(16(21)14(8)11)19-18-10-3-1-2-4-12(10)30-17(22)23;;/h1-7,20-23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H13AsN2O11S2.2Na,,,,,,QTNQKUWSUFYUBN-UHFFFAOYSA-L,,,,,,,,,,,
100.074.938,282-458-3,84215-52-1,a-ethylidene-ß-hydroxyfuran-2-propionaldehyde,2-[2-furyl(hydroxy)methyl]but-2-enal,OC(C(=CC)C=O)c1ccco1,OC(C(=CC)C=O)c1ccco1,"InChI=1/C9H10O3/c1-2-7(6-10)9(11)8-4-3-5-12-8/h2-6,9,11H,1H3",C9H10O3,,,,,,BSEXMELCOOVGNF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.942,282-463-0,84215-56-5,Ammonium trihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,ammonium trihydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.H3N/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);1H3/p-3",C4H13NO7P2.H3N,,,,,,AOMGKNIQIDLYJH-UHFFFAOYSA-K,,,,,,,,,,,
100.074.943,282-464-6,84215-58-7,"N,N'-[[(3-hydroxypropyl)imino]diethylene]distearamide monoacetate","N,N'-{[(3-hydroxypropyl)imino]diethane-2,1-diyl}dioctadecanamide acetate (salt)",CCCCCCCCCCCCCCCCCC(=O)NCCN(CCCO)CCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCCO)CCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C43H87N3O3.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)44-36-39-46(38-33-41-47)40-37-45-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h47H,3-41H2,1-2H3,(H,44,48)(H,45,49);1H3,(H,3,4)",C43H87N3O3.C2H4O2,,,,,,CUIZQOCISKHXDI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.944,282-465-1,84215-59-8,"Didodecyl hydrogen phosphate, compound with N,N-dimethylcyclohexylamine (1:1)","didodecyl hydrogen phosphate - N,N-dimethylcyclohexanamine (1:1)",CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.CN(C)C1CCCCC1,CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.CN(C)C1CCCCC1,"InChI=1/C24H51O4P.C8H17N/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;1-9(2)8-6-4-3-5-7-8/h3-24H2,1-2H3,(H,25,26);8H,3-7H2,1-2H3",C24H51O4P.C8H17N,,,,,,DDAPSNVDRBARKL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.945,282-466-7,84215-60-1,"N,N'-[iminobis(ethyleneiminoethylene)]bis(stearamide) monoacetate","N-(13-oxo-3,6,9,12-tetraazatriacont-1-yl)octadecanamide acetate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C44H91N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)",C44H87N5O2.C2H4O2,,,,,,MVLARNWGFHCMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.625,257-907-1,52427-13-1,4-(1-ethyl-1-methylhexyl)phenol,4-(1-ethyl-1-methylhexyl)phenol,CCCCCC(C)(CC)c1ccc(O)cc1,CCCCCC(C)(CC)c1ccc(O)cc1,"InChI=1/C15H24O/c1-4-6-7-12-15(3,5-2)13-8-10-14(16)11-9-13/h8-11,16H,4-7,12H2,1-3H3",C15H24O,,,,,,QQKQQJZGUCFUPP-UHFFFAOYSA-N,,,,,,,,,,,
100.052.626,257-908-7,52429-99-9,Triquinolin-8-yl phosphate,triquinolin-8-yl phosphate,O=P(Oc1cccc2cccnc12)(Oc3cccc4cccnc34)Oc5cccc6cccnc56,O=P(Oc1cccc2cccnc12)(Oc3cccc4cccnc34)Oc5cccc6cccnc56,"InChI=1/C27H18N3O4P/c31-35(32-22-13-1-7-19-10-4-16-28-25(19)22,33-23-14-2-8-20-11-5-17-29-26(20)23)34-24-15-3-9-21-12-6-18-30-27(21)24/h1-18H",C27H18N3O4P,,,,,,RFZXFOYQOFYOKR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.629,257-911-3,52434-58-9,"Stearic acid, compound with diethylamine (1:1)",octadecanoic acid - N-ethylethanamine (1:1),CCCCCCCCCCCCCCCCCC(=O)O.CCNCC,CCCCCCCCCCCCCCCCCC(=O)O.CCNCC,"InChI=1/C18H36O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-4-2/h2-17H2,1H3,(H,19,20);5H,3-4H2,1-2H3",C18H36O2.C4H11N,,,,,,AVDWNNLLWHAQHF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.630,257-912-9,52434-61-4,"1-[[[3-[[(aziridin-1-ylcarbonyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]carbonyl]aziridine","N-(3-{[(aziridin-1-ylcarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)aziridine-1-carboxamide",CC1(C)CC(CC(C)(CNC(=O)N2CC2)C1)NC(=O)N3CC3,CC1(C)CC(CC(C)(CNC(=O)N2CC2)C1)NC(=O)N3CC3,"InChI=1/C16H28N4O2/c1-15(2)8-12(18-14(22)20-6-7-20)9-16(3,10-15)11-17-13(21)19-4-5-19/h12H,4-11H2,1-3H3,(H,17,21)(H,18,22)",C16H28N4O2,,,,,,FLHDPLTVNAMNOE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.633,257-916-0,52435-12-8,"1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)azo]-1H-1,2,4-triazolium methyl sulphate","1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)diazenyl]-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",CN4/C=N\\[NH+](C)C4N=Nc1c3ccccc3nc1c2ccccc2.[O-]S(=O)(=O)OC,CN4/C=N\[NH+](C)C4N=Nc1c3ccccc3nc1c2ccccc2.[O-]S(=O)(=O)OC,"InChI=1/C18H18N6.CH4O4S/c1-23-12-19-24(2)18(23)22-21-17-14-10-6-7-11-15(14)20-16(17)13-8-4-3-5-9-13;1-5-6(2,3)4/h3-12,18,20H,1-2H3;1H3,(H,2,3,4)",C18H17N6.CH3O4S,,,,,,OEHRTQNNMTWNIH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.634,257-917-6,52435-14-0,"2-[[(1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl]azo]-3-methylbenzothiazolium methyl sulphate","2-{[(1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)methyl]diazenyl}-3-methyl-1,3-benzothiazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.CN\\4c1ccccc1N(C)C/4=C\\N=Nc3sc2ccccc2[n+]3C,[O-]S(=O)(=O)OC.CN\4c1ccccc1N(C)C/4=C\N=Nc3sc2ccccc2[n+]3C,"InChI=1/C18H18N5S.CH4O4S/c1-21-13-8-4-5-9-14(13)22(2)17(21)12-19-20-18-23(3)15-10-6-7-11-16(15)24-18;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C18H18N5S.CH3O4S,,,,,,SQKKZLOTNDUUEU-UHFFFAOYSA-M,,,,,,,,,,,
100.052.647,257-931-2,52457-54-2,Dipotassium azelate,dipotassium azelaate,[K+].[K+].[O-]C(=O)CCCCCCCC(=O)[O-],[K+].[K+].[O-]C(=O)CCCCCCCC(=O)[O-],"InChI=1/C9H16O4.2K/c10-8(11)6-4-2-1-3-5-7-9(12)13;;/h1-7H2,(H,10,11)(H,12,13);;/q;2*+1/p-2",C9H16O4.2K,,,,,,RTMGQVSGXYZVTE-UHFFFAOYSA-L,,,,,,,,,,,
100.052.653,257-938-0,52469-75-7,"Trisodium 5-amino-3-[[4-[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-amino-3-{[4-({4-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C32H24N8O11S3.3Na/c33-18-2-1-16-12-26(53(46,47)48)29(31(41)24(16)14-18)39-37-21-7-3-19(4-8-21)35-36-20-5-9-22(10-6-20)38-40-30-27(54(49,50)51)13-17-11-23(52(43,44)45)15-25(34)28(17)32(30)42;;;/h1-15,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C32H24N8O11S3.3Na,,,,,,YMFBTFNYQCDRAG-UHFFFAOYSA-K,,,,,,,,,,,
100.048.309,253-157-4,36685-97-9,Decyl benzoate,decyl benzoate,CCCCCCCCCCOC(=O)c1ccccc1,CCCCCCCCCCOC(=O)c1ccccc1,"InChI=1/C17H26O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3",C17H26O2,,,,,,CUSUFTNOPPMGBK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.310,253-159-5,36699-87-3,"Methyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate","methyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate",COC(=O)C1C(C)CC(=O)C(=C1O)C,COC(=O)C1C(C)CC(=O)C(=C1O)C,"InChI=1/C10H14O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h5,8,12H,4H2,1-3H3",C10H14O4,,,,,,GRUZVKBJCPADAL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.311,253-160-0,36701-01-6,Furfuryl valerate,2-furylmethyl valerate,CCCCC(=O)OCc1occc1,CCCCC(=O)OCc1occc1,"InChI=1/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3",C10H14O3,,,,,,HRYAVTBTUKVHBU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.319,253-168-4,36727-29-4,"3,5,5-trimethylhexanoyl chloride","3,5,5-trimethylhexanoyl chloride",CC(CC(=O)Cl)CC(C)(C)C,CC(CC(=O)Cl)CC(C)(C)C,"InChI=1/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3",C9H17ClO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13160,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.319,GEKPNPPFAYJZRD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.329,253-179-4,36735-22-5,Quazepam,"7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione",Fc1ccccc1C2=NCC(=S)N(CC(F)(F)F)c3ccc(Cl)cc23,Fc1ccccc1C2=NCC(=S)N(CC(F)(F)F)c3ccc(Cl)cc23,"InChI=1/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",C17H11ClF4N2S,,,,,,IKMPWMZBZSAONZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.933,282-453-6,84215-47-4,"Disodium 3,6-bis[[2-[(dihydroxyarsino)oxy]phenyl]azo]-4,5-dihydroxynaphthalene-2,7-disulphonate","disodium 3,6-bis({2-[(dihydroxyarsino)oxy]phenyl}diazenyl)-4,5-dihydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].O[As](O)Oc4ccccc4N=Nc3c(cc2cc(c(N=Nc1ccccc1O[As](O)O)c(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].O[As](O)Oc4ccccc4N=Nc3c(cc2cc(c(N=Nc1ccccc1O[As](O)O)c(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C22H18As2N4O14S2.2Na/c29-21-18-11(9-16(43(35,36)37)19(21)27-25-12-5-1-3-7-14(12)41-23(31)32)10-17(44(38,39)40)20(22(18)30)28-26-13-6-2-4-8-15(13)42-24(33)34;;/h1-10,29-34H,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C22H18As2N4O14S2.2Na,,,,,,BJIZICWQTJZZLQ-UHFFFAOYSA-L,,,,,,,,,,,
100.074.939,282-459-9,84215-53-2,Sodium trihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,sodium trihydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.Na/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-4",C4H13NO7P2.Na,,,,,,TZMFSKGQNJCLEU-UHFFFAOYSA-J,,,,,,,,,,,
100.074.940,282-460-4,84215-54-3,Disodium dihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,disodium dihydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.2Na/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4",C4H13NO7P2.2Na,,,,,,UJPSNOGWPMYQQS-UHFFFAOYSA-J,,,,,,,,,,,
100.077.687,285-485-9,85099-30-5,"4-(benzoylamino)-2,5-dibutoxybenzenediazonium tetrafluoroborate","4-(benzoylamino)-2,5-dibutoxybenzenediazonium tetrafluoroborate",CCCCOc1cc([N+]#N)c(OCCCC)cc1NC(=O)c2ccccc2.F[B-](F)(F)F,CCCCOc1cc([N+]#N)c(OCCCC)cc1NC(=O)c2ccccc2.F[B-](F)(F)F,"InChI=1/C21H25N3O3.BF4/c1-3-5-12-26-19-15-18(24-22)20(27-13-6-4-2)14-17(19)23-21(25)16-10-8-7-9-11-16;2-1(3,4)5/h7-11,14-15H,3-6,12-13H2,1-2H3;/q;-1/p+1",C21H26N3O3.BF4,,,,,,WYQKIWNFYBKSBJ-UHFFFAOYSA-O,,,,,,,,,,,
100.077.693,285-492-7,85099-36-1,"<U+03B3>,4-dimethylcyclohexene-1-propan-1-amine",3-(4-methylcyclohex-1-en-1-yl)butan-1-amine,CC(CCN)C1=CCC(C)CC1,CC(CCN)C1=CCC(C)CC1,"InChI=1/C11H21N/c1-9-3-5-11(6-4-9)10(2)7-8-12/h5,9-10H,3-4,6-8,12H2,1-2H3",C11H21N,,,,,,WLVQHXFLUTXTMU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.696,285-495-3,85099-39-4,"N-[2,5-diethoxy-4-[(methyloctadecylamino)sulphonyl]phenyl]-a-(2,4-dimethoxybenzoyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide","N-{2,5-diethoxy-4-[methyl(octadecyl)sulfamoyl]phenyl}-3-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-oxopropanamide",CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OCC)c(NC(=O)C(C(=O)c2ccc(OC)cc2OC)n3cnc4N(C)C(=O)N(C)C(=O)c34)cc1OCC,CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OCC)c(NC(=O)C(C(=O)c2ccc(OC)cc2OC)n3cnc4N(C)C(=O)N(C)C(=O)c34)cc1OCC,"InChI=1/C47H70N6O10S/c1-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-50(4)64(58,59)40-32-38(62-10-2)36(31-39(40)63-11-3)49-45(55)41(43(54)35-28-27-34(60-7)30-37(35)61-8)53-33-48-44-42(53)46(56)52(6)47(57)51(44)5/h27-28,30-33,41H,9-26,29H2,1-8H3,(H,49,55)",C47H70N6O10S,,,,,,CQLSRQUODDPRRK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.918,280-233-4,83221-55-0,"Potassium sodium dihydrogen 5,5'-[carbonylbis[imino(5-methoxy-2-sulphonato-4,1-phenylene)azo]]bis[6-amino-4-hydroxynaphthalene-2-sulphonate]",potassium sodium dihydrogen 6-amino-5-({4-[({4-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]-2-methoxy-5-sulfonatophenyl}carbamoyl)amino]-5-methoxy-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[H+].[H+].[K+].[Na+].COc6cc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c(cc6NC(=O)Nc5cc(c(N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O)cc5OC)S([O-])(=O)=O)S([O-])(=O)=O,[H+].[H+].[K+].[Na+].COc6cc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c(cc6NC(=O)Nc5cc(c(N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O)cc5OC)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H30N8O17S4.K.Na.2H2/c1-59-27-11-23(40-42-33-19(36)5-3-15-7-17(61(47,48)49)9-25(44)31(15)33)29(63(53,54)55)13-21(27)38-35(46)39-22-14-30(64(56,57)58)24(12-28(22)60-2)41-43-34-20(37)6-4-16-8-18(62(50,51)52)10-26(45)32(16)34;;;;/h3-14,44-45H,36-37H2,1-2H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;2*1H/q;4*+1/p-4",C35H30N8O17S4.xK.xNa,,,,,,HWGFJXNIRHIFIX-UHFFFAOYSA-L,,,,,,,,,,,
100.072.921,280-237-6,83221-59-4,Potassium sodium 5-[[4-[[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate,potassium sodium 5-[(4-{[4-({6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)phenyl]carbamoyl}phenyl)diazenyl]-2-hydroxybenzoate,[K+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(NC(=O)c3ccc(N)cc3)ccc4c5O)S([O-])(=O)=O)cc6,[K+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(NC(=O)c3ccc(N)cc3)ccc4c5O)S([O-])(=O)=O)cc6,"InChI=1/C37H27N7O9S.K.Na/c38-23-5-1-20(2-6-23)36(48)40-27-13-15-29-22(17-27)18-32(54(51,52)53)33(34(29)46)44-42-26-11-9-24(10-12-26)39-35(47)21-3-7-25(8-4-21)41-43-28-14-16-31(45)30(19-28)37(49)50;;/h1-19,45-46H,38H2,(H,39,47)(H,40,48)(H,49,50)(H,51,52,53);;/q;2*+1/p-2",C37H27N7O9S.xK.xNa,,,,,,UHHSYNHPLNUJPO-UHFFFAOYSA-L,,,,,,,,,,,
100.074.415,281-883-1,84051-93-4,Calcium 3-hydroxy-4-[(5-sulphonato-1-naphthyl)azo]-2-naphthoate,calcium 3-hydroxy-4-[(5-sulfonato-1-naphthyl)diazenyl]-2-naphthoate,[Ca+2].[O-]S(=O)(=O)c4cccc3c4cccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Ca+2].[O-]S(=O)(=O)c4cccc3c4cccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C21H14N2O6S.Ca/c24-20-16(21(25)26)11-12-5-1-2-6-13(12)19(20)23-22-17-9-3-8-15-14(17)7-4-10-18(15)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);/q;+2/p-2",C21H14N2O6S.Ca,,,,,,JAFWUJSHVAPNNP-UHFFFAOYSA-L,,,,,,,,,,,
100.074.427,281-896-2,84057-79-4,"Phosphoric acid, ammonium zirconium salt",ammonium zirconium(2+) phosphate,[NH4+].[Zr+2].[O-]P(=O)([O-])[O-],[NH4+].[Zr+2].[O-]P(=O)([O-])[O-],"InChI=1/H3N.H3O4P.Zr/c;1-5(2,3)4;/h1H3;(H3,1,2,3,4);/q;;+2/p-2",H3N.xH3O4P.xZr,,,,,,WNGFSLSVAFJVQG-UHFFFAOYSA-L,,,,,,,,,,,
100.046.743,251-433-9,33261-95-9,"(17ß)-3,3-[ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrile","17-hydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile",CC12CCC3(CC1=CCC4C2CCC5(C)C4CCC5(O)C#N)OCCO3,CC12CCC3(CC1=CCC4C2CCC5(C)C4CCC5(O)C#N)OCCO3,"InChI=1/C22H31NO3/c1-19-9-10-22(25-11-12-26-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20,24)14-23/h3,16-18,24H,4-13H2,1-2H3",C22H31NO3,,,,,,VRSHJJXUDZAQKD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.877,251-580-9,33581-77-0,Trimethylsilyl [(trimethylsilyl)oxy]acetate,trimethylsilyl [(trimethylsilyl)oxy]acetate,C[Si](C)(C)OCC(=O)O[Si](C)(C)C,C[Si](C)(C)OCC(=O)O[Si](C)(C)C,"InChI=1/C8H20O3Si2/c1-12(2,3)10-7-8(9)11-13(4,5)6/h7H2,1-6H3",C8H20O3Si2,,,,,,MAEQOWMWOCEXKP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.881,251-585-6,33599-32-5,"1-butylimidazolidine-2,4-dione","1-butylimidazolidine-2,4-dione",CCCCN1CC(=O)NC1=O,CCCCN1CC(=O)NC1=O,"InChI=1/C7H12N2O2/c1-2-3-4-9-5-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)",C7H12N2O2,,,,,,NOHNSECEKFOVGT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.883,251-587-7,33602-00-5,p-(hexyloxy)cinnamic acid,3-[4-(hexyloxy)phenyl]acrylic acid,CCCCCCOc1ccc(\\C=C\\C(=O)O)cc1,CCCCCCOc1ccc(\C=C\C(=O)O)cc1,"InChI=1/C15H20O3/c1-2-3-4-5-12-18-14-9-6-13(7-10-14)8-11-15(16)17/h6-11H,2-5,12H2,1H3,(H,16,17)",C15H20O3,,,,,,YUPOGZHOMDSGCD-DHZHZOJOSA-N,,,,,,,,,,,
100.046.885,251-589-8,33605-73-1,"(S)-N-(tetrahydro-2,5-dioxo-3-furyl)formamide","N-(2,5-dioxotetrahydrofuran-3-yl)formamide",O=CN[C@H]1CC(=O)OC1=O,O=CN[C@H]1CC(=O)OC1=O,"InChI=1/C5H5NO4/c7-2-6-3-1-4(8)10-5(3)9/h2-3H,1H2,(H,6,7)",C5H5NO4,,,,,,DFTMVZIUYVECNW-VKHMYHEASA-N,,,,,,,,,,,
100.046.892,251-597-1,33617-59-3,4-(hydroxymethyl)resorcinol,"4-(hydroxymethyl)benzene-1,3-diol",OCc1ccc(O)cc1O,OCc1ccc(O)cc1O,"InChI=1/C7H8O3/c8-4-5-1-2-6(9)3-7(5)10/h1-3,8-10H,4H2",C7H8O3,,,,,,RQCDKJFKYGNXBD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.626,277-712-5,74094-61-4,"2-heptyl-4-methyl-1,3-dioxolane","2-heptyl-4-methyl-1,3-dioxolane",CCCCCCCC1OCC(C)O1,CCCCCCCC1OCC(C)O1,"InChI=1/C11H22O2/c1-3-4-5-6-7-8-11-12-9-10(2)13-11/h10-11H,3-9H2,1-2H3",C11H22O2,,,,,,PTJICCHLTNPHDB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.648,277-736-6,74144-49-3,N-DL-alanyl-2-naphthylamine hydrochloride,N-2-naphthylalaninamide hydrochloride,Cl.C[C@H](N)C(=O)Nc1ccc2ccccc2c1,Cl.C[C@H](N)C(=O)Nc1ccc2ccccc2c1,"InChI=1/C13H14N2O.ClH/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12;/h2-9H,14H2,1H3,(H,15,16);1H",C13H14N2O.ClH,,,,,,WNLRRMRLNYQNOZ-FVGYRXGTSA-N,,,,,,,,,,,
100.049.191,254-128-9,38787-87-0,Lead isophthalate,lead(4+) bisisophthalate,[Pb+2].O=C([O-])C=1/C=C\\C=C(/C=1)C([O-])=O,[Pb+2].O=C([O-])C=1/C=C\C=C(/C=1)C([O-])=O,"InChI=1/C8H6O4.Pb.2H/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;;/q;+4;;/p-2/rC8H6O4.H2Pb/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H2/q;+4/p-2",C8H6O4.Pb,,,,,,BDPKMOYPOICDTD-UHFFFAOYSA-L,,,,,,,,,,,
100.049.198,254-136-2,38821-52-2,N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]benzamide monohydrochloride,N-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}benzamide hydrochloride,Cl.O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c4ccccc4,Cl.O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c4ccccc4,"InChI=1/C22H25N3O.ClH/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21;/h1-9,16,19,23H,10-15H2,(H,24,26);1H",C22H25N3O.ClH,,,,,,AFJSFHAKSSWOKG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.216,254-156-1,38850-52-1,3-[(carboxymethyl)[(tridecafluorohexyl)sulphonyl]amino]propyltrimethylammonium hydroxide,"3-{(carboxymethyl)[(tridecafluorohexyl)sulfonyl]amino}-N,N,N-trimethylpropan-1-aminium hydroxide",[OH-].C[N+](C)(C)CCCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[OH-].C[N+](C)(C)CCCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H17F13N2O4S.H2O/c1-29(2,3)6-4-5-28(7-8(30)31)34(32,33)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25;/h4-7H2,1-3H3;1H2",C14H17F13N2O4S,,,,,,MPIJGNXBLIVKHW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.220,254-160-3,38866-17-0,1-[[3-(dimethylamino)propyl]amino]-4-hydroxyanthraquinone,"1-{[3-(dimethylamino)propyl]amino}-4-hydroxy-9,10-anthraquinone",CN(C)CCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,CN(C)CCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H20N2O3/c1-21(2)11-5-10-20-14-8-9-15(22)17-16(14)18(23)12-6-3-4-7-13(12)19(17)24/h3-4,6-9,20,22H,5,10-11H2,1-2H3",C19H20N2O3,,,,,,JZTAIFJWWKIHKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.688,285-486-4,85099-31-6,5-methoxy-4-(morpholin-4-yl)-2-[(p-tolyl)thio]benzenediazonium hexafluorophosphate,5-methoxy-2-[(4-methylphenyl)sulfanyl]-4-morpholin-4-ylbenzenediazonium hexafluorophosphate,COc1cc([N+]#N)c(Sc2ccc(C)cc2)cc1N3CCOCC3.F[P-](F)(F)(F)(F)F,COc1cc([N+]#N)c(Sc2ccc(C)cc2)cc1N3CCOCC3.F[P-](F)(F)(F)(F)F,"InChI=1/C18H20N3O2S.F6P/c1-13-3-5-14(6-4-13)24-18-12-16(21-7-9-23-10-8-21)17(22-2)11-15(18)20-19;1-7(2,3,4,5)6/h3-6,11-12H,7-10H2,1-2H3;/q+1;-1",C18H20N3O2S.F6P,,,,,,JTAGJEJNNGMSPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.691,285-490-6,85099-34-9,"a,ß,4-trimethylcyclohexanepropionaldehyde",2-methyl-3-(4-methylcyclohexyl)butanal,CC(C=O)C(C)C1CCC(C)CC1,CC(C=O)C(C)C1CCC(C)CC1,"InChI=1/C12H22O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h8-12H,4-7H2,1-3H3",C12H22O,,,,,,MJRWVWFGCVLPOV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.692,285-491-1,85099-35-0,"a,ß,4-trimethylcyclohex-3-ene-1-propan-1-al",2-methyl-3-(4-methylcyclohex-3-en-1-yl)butanal,CC(C=O)C(C)C1CCC(=CC1)C,CC(C=O)C(C)C1CCC(=CC1)C,"InChI=1/C12H20O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h4,8,10-12H,5-7H2,1-3H3",C12H20O,,,,,,BWEVBHHGPXKUBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.695,285-494-8,85099-38-3,"Tetrasodium 2,2'-[carbonylbis[imino(2-methyl-p-phenylene)azo(3-sulphonato-p-phenylene)]]bis[6-methylbenzothiazole-7-sulphonate]","tetrasodium 6-methyl-2-{4-[(3-methyl-4-{[(2-methyl-4-{[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-3-sulfonatophenyl]diazenyl}phenyl)carbamoyl]amino}phenyl)diazenyl]-2-sulfonatophenyl}-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2c(C)ccc1nc(sc12)c3ccc(cc3S([O-])(=O)=O)N=Nc8ccc(NC(=O)Nc4ccc(cc4C)N=Nc7ccc(c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c(c7)S([O-])(=O)=O)c(C)c8,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2c(C)ccc1nc(sc12)c3ccc(cc3S([O-])(=O)=O)N=Nc8ccc(NC(=O)Nc4ccc(cc4C)N=Nc7ccc(c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c(c7)S([O-])(=O)=O)c(C)c8,"InChI=1/C43H34N8O13S6.4Na/c1-21-5-13-33-37(39(21)69(59,60)61)65-41(44-33)29-11-7-27(19-35(29)67(53,54)55)50-48-25-9-15-31(23(3)17-25)46-43(52)47-32-16-10-26(18-24(32)4)49-51-28-8-12-30(36(20-28)68(56,57)58)42-45-34-14-6-22(2)40(38(34)66-42)70(62,63)64;;;;/h5-20H,1-4H3,(H2,46,47,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4",C43H34N8O13S6.4Na,,,,,,AENZVHRMKJIIRE-UHFFFAOYSA-J,,,,,,,,,,,
100.072.893,280-206-7,83168-73-4,"2-methyl-3-(1,1,2,2-tetrafluoroethoxy)propene","2-methyl-3-(1,1,2,2-tetrafluoroethoxy)prop-1-ene",CC(=C)COC(F)(F)C(F)F,CC(=C)COC(F)(F)C(F)F,"InChI=1/C6H8F4O/c1-4(2)3-11-6(9,10)5(7)8/h5H,1,3H2,2H3",C6H8F4O,,,,,,IQFNZCSQGLXBJM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.897,280-210-9,83178-13-6,2-methoxyethyl 4-amino-3-nitrobenzoate,2-methoxyethyl 4-amino-3-nitrobenzoate,COCCOC(=O)c1ccc(N)c(c1)[N+](=O)[O-],COCCOC(=O)c1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C10H12N2O5/c1-16-4-5-17-10(13)7-2-3-8(11)9(6-7)12(14)15/h2-3,6H,4-5,11H2,1H3",C10H12N2O5,,,,,,USJSCCZETRWEQE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.924,280-240-2,83221-62-9,"Potassium sodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methylphenyl)azo]naphthalene-2-sulphonate]",potassium sodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methylphenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonate,[K+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2C)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5C)c6O)S([O-])(=O)=O,[K+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2C)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5C)c6O)S([O-])(=O)=O,"InChI=1/C35H28N6O9S2.K.Na/c1-19-7-3-5-9-27(19)38-40-31-29(51(45,46)47)17-21-15-23(11-13-25(21)33(31)42)36-35(44)37-24-12-14-26-22(16-24)18-30(52(48,49)50)32(34(26)43)41-39-28-10-6-4-8-20(28)2;;/h3-18,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C35H28N6O9S2.xK.xNa,,,,,,FARINDJQGKYRBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.073.116,280-450-4,83418-59-1,N-[2-hydroxy-3-[(2-methyl-1-oxoallyl)oxy]propyl]-N-(4-methylphenyl)glycine,N-[2-hydroxy-3-(methacryloyloxy)propyl]-N-(4-methylphenyl)glycine,CC(=C)C(=O)OCC(O)CN(CC(=O)O)c1ccc(C)cc1,CC(=C)C(=O)OCC(O)CN(CC(=O)O)c1ccc(C)cc1,"InChI=1/C16H21NO5/c1-11(2)16(21)22-10-14(18)8-17(9-15(19)20)13-6-4-12(3)5-7-13/h4-7,14,18H,1,8-10H2,2-3H3,(H,19,20)",C16H21NO5,,,,,,WAEYWEAANZCBNC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.117,280-452-5,83418-60-4,"1,4-bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylate","2,5-bis{[2-(methacryloyloxy)ethoxy]carbonyl}terephthalic acid",CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)OCCOC(=O)C(=C)C,CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)OCCOC(=O)C(=C)C,"InChI=1/C22H22O12/c1-11(2)19(27)31-5-7-33-21(29)15-9-14(18(25)26)16(10-13(15)17(23)24)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3,(H,23,24)(H,25,26)",C22H22O12,,,,,,WKBYWKLXGWNHOB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.118,280-453-0,83418-61-5,"1,5-bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylate","4,6-bis{[2-(methacryloyloxy)ethoxy]carbonyl}isophthalic acid",CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)O)C(=O)O,CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)O)C(=O)O,"InChI=1/C22H22O12/c1-11(2)19(27)31-5-7-33-21(29)15-10-16(14(18(25)26)9-13(15)17(23)24)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3,(H,23,24)(H,25,26)",C22H22O12,,,,,,OWOKLNVOQQCUJM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.628,278-813-7,78000-36-9,L-lysine mono(benzenepyruvate),2-oxo-3-phenylpropanoic acid - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)C(=O)Cc1ccccc1,NCCCC[C@H](N)C(=O)O.OC(=O)C(=O)Cc1ccccc1,"InChI=1/C9H8O3.C6H14N2O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10/h1-5H,6H2,(H,11,12);5H,1-4,7-8H2,(H,9,10)",C9H8O3.C6H14N2O2,,,,,,ACJBRZHLANZBOR-ZSCHJXSPSA-N,,,,,,,,,,,
100.048.333,253-184-1,36747-96-3,ß-ethoxyphenethyl alcohol,2-ethoxy-2-phenylethanol,CCOC(CO)c1ccccc1,CCOC(CO)c1ccccc1,"InChI=1/C10H14O2/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3",C10H14O2,,,,,,QISVRAXIZYUGJB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.334,253-185-7,36747-99-6,(2-chloro-1-ethoxyethyl)benzene,(2-chloro-1-ethoxyethyl)benzene,CCOC(CCl)c1ccccc1,CCOC(CCl)c1ccccc1,"InChI=1/C10H13ClO/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3",C10H13ClO,,,,,,HYANGOOKKONSQK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.336,253-187-8,36753-03-4,Rhenium tetrabromide,rhenium tetrabromide,[Br-].[Br-].[Br-].[Br-].[Re+2].[Re+2],[Br-].[Br-].[Br-].[Br-].[Re+2].[Re+2],InChI=1/4BrH.2Re/h4*1H;;/q;;;;2*+2/p-4,Br4Re,,,,,,RDUVIJZFDWAHDS-UHFFFAOYSA-J,,,,,,,,,,,
100.048.337,253-188-3,36755-19-8,"2-[3-[3-[4-(ethoxycarbonyl)piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3-ethylbenzothiazolium perchlorate","2-(3-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-1-en-1-yl)-3-ethyl-1,3-benzothiazol-3-ium perchlorate",[O-]Cl(=O)(=O)=O.CCOC(=O)N1CCN(CC1)C/2=C/C(CC(C)(C)C\\2)=CC=Cc4sc3ccccc3[n+]4CC,[O-]Cl(=O)(=O)=O.CCOC(=O)N1CCN(CC1)C/2=C/C(CC(C)(C)C\2)=CC=Cc4sc3ccccc3[n+]4CC,"InChI=1/C27H36N3O2S.ClHO4/c1-5-30-23-11-7-8-12-24(23)33-25(30)13-9-10-21-18-22(20-27(3,4)19-21)28-14-16-29(17-15-28)26(31)32-6-2;2-1(3,4)5/h7-13,18H,5-6,14-17,19-20H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C27H36N3O2S.ClO4,,,,,,VBCUGCNEFSBBMY-UHFFFAOYSA-M,,,,,,,,,,,
100.048.341,253-193-0,36763-39-0,"5-(2-bromoacetyl)-1,3-phenylene diacetate","5-(bromoacetyl)-1,3-phenylene diacetate",CC(=O)Oc1cc(OC(=O)C)cc(c1)C(=O)CBr,CC(=O)Oc1cc(OC(=O)C)cc(c1)C(=O)CBr,"InChI=1/C12H11BrO5/c1-7(14)17-10-3-9(12(16)6-13)4-11(5-10)18-8(2)15/h3-5H,6H2,1-2H3",C12H11BrO5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17601,https://echa.europa.eu/substance-information/-/substanceinfo/100.048.341,GXTZIQJXSCEEMV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.343,253-195-1,36765-89-6,2-ethylhexanoic anhydride,2-ethylhexanoic anhydride,CCCCC(CC)C(=O)OC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OC(=O)C(CC)CCCC,"InChI=1/C16H30O3/c1-5-9-11-13(7-3)15(17)19-16(18)14(8-4)12-10-6-2/h13-14H,5-12H2,1-4H3",C16H30O3,,,,,,TVPCUVQDVRZTAL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.350,253-202-8,36779-84-7,3-methyl-4-[4-(1-methylethyl)cyclohexyl]butan-2-one,4-(4-isopropylcyclohexyl)-3-methylbutan-2-one,CC(C)C1CCC(CC(C)C(=O)C)CC1,CC(C)C1CCC(CC(C)C(=O)C)CC1,"InChI=1/C14H26O/c1-10(2)14-7-5-13(6-8-14)9-11(3)12(4)15/h10-11,13-14H,5-9H2,1-4H3",C14H26O,,,,,,AOQWZIUVPJRSBX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.982,252-796-6,35926-15-9,(4-hydroxyphenyl) 3-pyridyl ketone,(4-hydroxyphenyl)(pyridin-3-yl)methanone,Oc1ccc(cc1)C(=O)c2cccnc2,Oc1ccc(cc1)C(=O)c2cccnc2,"InChI=1/C12H9NO2/c14-11-5-3-9(4-6-11)12(15)10-2-1-7-13-8-10/h1-8,14H",C12H9NO2,,,,,,FLWUMGDFGOLPGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.988,252-802-7,35941-71-0,4-[(5-chloro-2-oxo-2H-benzothiazol-3-yl)acetyl]piperazine-1-ethanol monohydrochloride,"5-chloro-3-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzothiazol-2(3H)-one hydrochloride",Cl.OCCN1CCN(CC1)C(=O)CN2C(=O)Sc3ccc(Cl)cc23,Cl.OCCN1CCN(CC1)C(=O)CN2C(=O)Sc3ccc(Cl)cc23,"InChI=1/C15H18ClN3O3S.ClH/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20;/h1-2,9,20H,3-8,10H2;1H",C15H18ClN3O3S.ClH,,,,,,UKNGDQSYPNBJAO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.991,252-805-3,35945-15-4,"2,5-diethoxy-N-ethylaniline","2,5-diethoxy-N-ethylaniline",CCNc1cc(OCC)ccc1OCC,CCNc1cc(OCC)ccc1OCC,"InChI=1/C12H19NO2/c1-4-13-11-9-10(14-5-2)7-8-12(11)15-6-3/h7-9,13H,4-6H2,1-3H3",C12H19NO2,,,,,,FFGGKPPVNIPGAK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.994,252-809-5,35947-07-0,Calcium glycinate (1:2),calcium bis(aminoacetate),[CaH2].NCC(=O)[O-].NCC(=O)[O-],[CaH2].NCC(=O)[O-].NCC(=O)[O-],"InChI=1/2C2H5NO2.Ca.2H/c2*3-1-2(4)5;;;/h2*1,3H2,(H,4,5);;;/q;;+2;;/p-2/r2C2H5NO2.CaH2/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);1H2/q;;+2/p-2",C2H5NO2.1/2Ca,,,,,,NIFIHZMTHYEXTG-UHFFFAOYSA-L,,,,,,,,,,,
100.047.995,252-810-0,35947-10-5,2-methyl-1-(m-tolyl)piperazine,2-methyl-1-(3-methylphenyl)piperazine,CC1CNCCN1c2cccc(C)c2,CC1CNCCN1c2cccc(C)c2,"InChI=1/C12H18N2/c1-10-4-3-5-12(8-10)14-7-6-13-9-11(14)2/h3-5,8,11,13H,6-7,9H2,1-2H3",C12H18N2,,,,,,QDMCWIHRLTVLIY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.996,252-811-6,35947-11-6,2-methyl-1-(p-tolyl)piperazine,2-methyl-1-(4-methylphenyl)piperazine,CC1CNCCN1c2ccc(C)cc2,CC1CNCCN1c2ccc(C)cc2,"InChI=1/C12H18N2/c1-10-3-5-12(6-4-10)14-8-7-13-9-11(14)2/h3-6,11,13H,7-9H2,1-2H3",C12H18N2,,,,,,DECNYCSJSYBABP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.507,254-477-7,39508-00-4,"1-(3,5-dimethoxyphenyl)-1-methylethyl carbazate","1-(3,5-dimethoxyphenyl)-1-methylethyl hydrazinecarboxylate",COc1cc(OC)cc(c1)C(C)(C)OC(=O)NN,COc1cc(OC)cc(c1)C(C)(C)OC(=O)NN,"InChI=1/C12H18N2O4/c1-12(2,18-11(15)14-13)8-5-9(16-3)7-10(6-8)17-4/h5-7H,13H2,1-4H3,(H,14,15)",C12H18N2O4,,,,,,RDYVDEBOFNOSEU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.508,254-478-2,39508-27-5,"4-fluoro-N,N,N-trimethyl-3-nitroanilinium iodide","4-fluoro-N,N,N-trimethyl-3-nitroanilinium iodide",[I-].C[N+](C)(C)c1ccc(F)c(c1)[N+](=O)[O-],[I-].C[N+](C)(C)c1ccc(F)c(c1)[N+](=O)[O-],"InChI=1/C9H12FN2O2.HI/c1-12(2,3)7-4-5-8(10)9(6-7)11(13)14;/h4-6H,1-3H3;1H/q+1;/p-1",C9H12FN2O2.I,,,,,,QVAYBTQAQYWEOZ-UHFFFAOYSA-M,,,,,,,,,,,
100.072.923,280-239-7,83221-61-8,"Potassium sodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate]",potassium sodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate,[K+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O,[K+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O,"InChI=1/C35H28N6O11S2.K.Na/c1-51-27-9-5-3-7-25(27)38-40-31-29(53(45,46)47)17-19-15-21(11-13-23(19)33(31)42)36-35(44)37-22-12-14-24-20(16-22)18-30(54(48,49)50)32(34(24)43)41-39-26-8-4-6-10-28(26)52-2;;/h3-18,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C35H28N6O11S2.xK.xNa,,,,,,CSJKEJNPIPGIKO-UHFFFAOYSA-L,,,,,,,,,,,
100.073.102,280-435-2,83400-19-5,"Tetrasodium 2-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-hydroxy-6-[(4-methoxy-2,5-disulphonatophenyl)azo]naphthalene-1,7-disulphonate","tetrasodium 2-{[(2,3-dichloroquinoxalin-6-yl)carbonyl]amino}-5-hydroxy-6-[(4-methoxy-2,5-disulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc3c(O)c4ccc(NC(=O)c1cc2nc(Cl)c(Cl)nc2cc1)c(c4cc3S([O-])(=O)=O)S([O-])(=O)=O)c(cc5OC)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc3c(O)c4ccc(NC(=O)c1cc2nc(Cl)c(Cl)nc2cc1)c(c4cc3S([O-])(=O)=O)S([O-])(=O)=O)c(cc5OC)S([O-])(=O)=O,"InChI=1/C26H17Cl2N5O15S4.4Na/c1-48-17-9-18(49(36,37)38)16(8-19(17)50(39,40)41)32-33-21-20(51(42,43)44)7-12-11(22(21)34)3-5-14(23(12)52(45,46)47)31-26(35)10-2-4-13-15(6-10)30-25(28)24(27)29-13;;;;/h2-9,34H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4",C26H17Cl2N5O15S4.4Na,,,,,,UISBBKOBBQADCD-UHFFFAOYSA-J,,,,,,,,,,,
100.073.107,280-441-5,83400-24-2,"Disodium 6-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-(ethylsulphonyl)benzothiazole-7-sulphonate","disodium 6-{[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-(ethylsulfonyl)-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N4/N=C(/C)C(N=Nc2ccc3nc(sc3c2S([O-])(=O)=O)S(=O)(=O)CC)C4=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N4/N=C(/C)C(N=Nc2ccc3nc(sc3c2S([O-])(=O)=O)S(=O)(=O)CC)C4=O,"InChI=1/C19H16ClN5O9S4.2Na/c1-3-36(27,28)19-21-12-6-7-13(17(16(12)35-19)38(32,33)34)22-23-15-9(2)24-25(18(15)26)14-8-10(37(29,30)31)4-5-11(14)20;;/h4-8,15H,3H2,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C19H16ClN5O9S4.2Na,,,,,,UMSTXIMOKUXALY-UHFFFAOYSA-L,,,,,,,,,,,
100.073.111,280-445-7,83411-71-6,"Bis(2,4,4-trimethylpentyl)phosphinic acid","bis(2,4,4-trimethylpentyl)phosphinic acid",CC(CC(C)(C)C)CP(=O)(O)CC(C)CC(C)(C)C,CC(CC(C)(C)C)CP(=O)(O)CC(C)CC(C)(C)C,"InChI=1/C16H35O2P/c1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,18)",C16H35O2P,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11706,https://echa.europa.eu/substance-information/-/substanceinfo/100.073.111,QUXFOKCUIZCKGS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.947,282-468-8,84229-70-9,"Tetrasodium 4-amino-6-[[2,5-dimethoxy-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-5-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","tetrasodium 4-amino-6-[(2,5-dimethoxy-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-hydroxy-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc4cc(c(cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)OC)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc4cc(c(cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)OC)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C28H29N5O21S6.4Na/c1-51-19-14-21(56(37,38)10-8-54-60(48,49)50)20(52-2)13-18(19)31-33-27-23(58(42,43)44)12-15-11-22(57(39,40)41)26(25(29)24(15)28(27)34)32-30-16-3-5-17(6-4-16)55(35,36)9-7-53-59(45,46)47;;;;/h3-6,11-14,34H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",C28H29N5O21S6.4Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16626,https://echa.europa.eu/substance-information/-/substanceinfo/100.074.947,HFPRJSOAOWITGC-UHFFFAOYSA-J,,,,,,,,,,,
100.074.948,282-469-3,84235-43-8,4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile,4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile,CC(C)C12CCC(C)(C=C1)C(C2)C#N,CC(C)C12CCC(C)(C=C1)C(C2)C#N,"InChI=1/C13H19N/c1-10(2)13-6-4-12(3,5-7-13)11(8-13)9-14/h4,6,10-11H,5,7-8H2,1-3H3",C13H19N,,,,,,MLPBPJJSDXCCHW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.630,278-815-8,78000-39-2,L-histidine mono(3-methyl-2-oxobutyrate),3-methyl-2-oxobutanoic acid - histidine (1:1),CC(C)C(=O)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O,CC(C)C(=O)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.C5H8O3/c7-5(6(10)11)1-4-2-8-3-9-4;1-3(2)4(6)5(7)8/h2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2H3,(H,7,8)",C6H9N3O2.C5H8O3,,,,,,TWBDHGZHCGZKOQ-JEDNCBNOSA-N,,,,,,,,,,,
100.071.631,278-816-3,78000-40-5,L-histidine mono(4-methyl-2-oxovalerate),4-methyl-2-oxopentanoic acid - histidine (1:1),CC(C)CC(=O)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O,CC(C)CC(=O)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.C6H10O3/c7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3-5(7)6(8)9/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4H,3H2,1-2H3,(H,8,9)",C6H10O3.C6H9N3O2,,,,,,SEGLGXWKMQWPCB-JEDNCBNOSA-N,,,,,,,,,,,
100.071.634,278-820-5,78015-65-3,1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea,1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea,FC(F)(F)c1cccc(NC(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)c1,FC(F)(F)c1cccc(NC(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)c1,"InChI=1/C15H9ClF6N2O/c16-12-7-10(4-5-11(12)15(20,21)22)24-13(25)23-9-3-1-2-8(6-9)14(17,18)19/h1-7H,(H2,23,24,25)",C15H9ClF6N2O,,,,,,KQVGGZLNNQMNJX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.221,254-161-9,38866-20-5,"4-[3-[(9,10-dihydro-4-hydroxy-9,10-dioxoanthryl)amino]propyl]-4-methylmorpholinium methyl sulphate","4-{3-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]propyl}-4-methylmorpholin-4-ium methyl sulfate",COS(=O)(=O)[O-].C[N+]1(CCCNc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)CCOCC1,COS(=O)(=O)[O-].C[N+]1(CCCNc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)CCOCC1,"InChI=1/C22H24N2O4.CH4O4S/c1-24(11-13-28-14-12-24)10-4-9-23-17-7-8-18(25)20-19(17)21(26)15-5-2-3-6-16(15)22(20)27;1-5-6(2,3)4/h2-3,5-8H,4,9-14H2,1H3,(H-,23,25,26,27);1H3,(H,2,3,4)",C22H25N2O4.CH3O4S,,,,,,JAADWTSKUWWHLE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.222,254-162-4,38869-19-1,Lithium valerate,lithium valerate,[Li+].CCCCC(=O)[O-],[Li+].CCCCC(=O)[O-],"InChI=1/C5H10O2.Li/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1",C5H10O2.Li,,,,,,KDDRURKXNGXKGE-UHFFFAOYSA-M,,,,,,,,,,,
100.049.223,254-164-5,38869-37-3,p-(1-piperazinyl)phenol dihydrobromide,4-piperazin-1-ylphenol dihydrobromide,Br.Br.Oc1ccc(cc1)N2CCNCC2,Br.Br.Oc1ccc(cc1)N2CCNCC2,"InChI=1/C10H14N2O.2BrH/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H",C10H14N2O.2BrH,,,,,,IRGIAGAHMWSRKP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.227,254-168-7,38869-91-9,Pentylurea,1-pentylurea,CCCCCNC(=O)N,CCCCCNC(=O)N,"InChI=1/C6H14N2O/c1-2-3-4-5-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)",C6H14N2O,,,,,,MONRWRVYLOHUFA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.902,251-607-4,33629-47-9,"4-(tert-butyl)-N-sec-butyl-2,6-dinitroaniline","N-sec-butyl-4-tert-butyl-2,6-dinitroaniline",CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],"InChI=1/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3",C14H21N3O4,,,,,,SPNQRCTZKIBOAX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.909,251-615-8,33657-50-0,"3,3-dichloropentane-2,4-dione","3,3-dichloropentane-2,4-dione",CC(=O)C(Cl)(Cl)C(=O)C,CC(=O)C(Cl)(Cl)C(=O)C,"InChI=1/C5H6Cl2O2/c1-3(8)5(6,7)4(2)9/h1-2H3",C5H6Cl2O2,,,,,,WWTZHEACMKQZDG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.911,251-617-9,33660-59-2,Barium strontium disulphate,barium strontium disulphate,[Sr+2].[Ba+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Sr+2].[Ba+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Ba.2H2O4S.Sr/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);/q+2;;;+2/p-4",Ba.2H2O4S.Sr,,,,,,HMNUYYJYMOXWTN-UHFFFAOYSA-J,,,,,,,,,,,
100.046.918,251-625-2,33667-49-1,Benzylbis(2-hydroxyethyl)methylammonium hydroxide,N-benzyl-2-hydroxy-N-(2-hydroxyethyl)-N-methylethanaminium hydroxide,[OH-].C[N+](CCO)(CCO)Cc1ccccc1,[OH-].C[N+](CCO)(CCO)Cc1ccccc1,"InChI=1/C12H20NO2.H2O/c1-13(7-9-14,8-10-15)11-12-5-3-2-4-6-12;/h2-6,14-15H,7-11H2,1H3;1H2/q+1;/p-1",C12H20NO2.HO,,,,,,ZHRRAVIVNPZSEW-UHFFFAOYSA-M,,,,,,,,,,,
100.046.926,251-634-1,33685-54-0,"1,1,2,2-tetrachloro-[1,2-2H2]ethane","1,1,2,2-tetrachloroethane",ClC(Cl)C(Cl)Cl,ClC(Cl)C(Cl)Cl,InChI=1/C2H2Cl4/c3-1(4)2(5)6/h1-2H,C2Cl4D2,,,,,,QPFMBZIOSGYJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.937,251-646-7,33703-08-1,Diisononyl adipate,bis(7-methyloctyl) adipate,CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C,CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C,"InChI=1/C24H46O4/c1-21(2)15-9-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-6-10-16-22(3)4/h21-22H,5-20H2,1-4H3",C24H46O4,Full,Joint,10+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13808,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.937,AYWLCKHHUFBVGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.939,251-648-8,33704-60-8,"Octahydro-1,1,2,3,3-pentamethyl-1H-indene","1,1,2,3,3-pentamethyloctahydro-1H-indene",CC1C(C)(C)C2CCCCC2C1(C)C,CC1C(C)(C)C2CCCCC2C1(C)C,"InChI=1/C14H26/c1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5/h10-12H,6-9H2,1-5H3",C14H26,,,,,,TUALLFJCLUYJEN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.941,251-650-9,33704-62-0,"7,7a-epoxytetrahydro-1,1,2,3,3-pentamethylindan-4(3aH)-one","5,5,6,7,7-pentamethylhexahydroindeno[3a,4-b]oxiren-4(1aH)-one",CC1C(C)(C)C2C(=O)CCC3OC23C1(C)C,CC1C(C)(C)C2C(=O)CCC3OC23C1(C)C,"InChI=1/C14H22O2/c1-8-12(2,3)11-9(15)6-7-10-14(11,16-10)13(8,4)5/h8,10-11H,6-7H2,1-5H3",C14H22O2,,,,,,BWLNXEZTYZEVLK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.942,251-651-4,33712-72-0,Tris(2-chloropropyl) thiophosphate,"O,O,S-tris(2-chloropropyl) thiophosphate",CC(Cl)COP(=O)(OCC(C)Cl)SCC(C)Cl,CC(Cl)COP(=O)(OCC(C)Cl)SCC(C)Cl,"InChI=1/C9H18Cl3O3PS/c1-7(10)4-14-16(13,15-5-8(2)11)17-6-9(3)12/h7-9H,4-6H2,1-3H3",C9H18Cl3O3PS,,,,,,KOPSEXPNNGBHAH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.681,277-772-2,74220-13-6,"Calcium bis(9,10-dihydroxystearate)","calcium bis(9,10-dihydroxyoctadecanoate)",[Ca+2].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],"InChI=1/2C18H36O4.Ca/c2*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h2*16-17,19-20H,2-15H2,1H3,(H,21,22);/q;;+2/p-2",C18H36O4.1/2Ca,,,,,,KYRPHMRHIPLASS-UHFFFAOYSA-L,,,,,,,,,,,
100.070.682,277-773-8,74220-37-4,Cinchonidine hydrochloride,cinchonan-9-ol hydrochloride,Cl.O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34,Cl.O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34,"InChI=1/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H",C19H22N2O.xClH,,,,,,IMUHWLVEEVGMBC-YYXOUSRLSA-N,,,,,,,,,,,
100.070.687,277-779-0,74222-95-0,Methyl 2-(isocyanatosulphonyl)benzoate,methyl 2-[(oxomethylene)sulfamoyl]benzoate,COC(=O)c1ccccc1S(=O)(=O)N=C=O,COC(=O)c1ccccc1S(=O)(=O)N=C=O,"InChI=1/C9H7NO5S/c1-15-9(12)7-4-2-3-5-8(7)16(13,14)10-6-11/h2-5H,1H3",C9H7NO5S,,,,,,HVQWYKPSNHGIDD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.635,278-821-0,78020-32-3,Undecenonitrile,undec-10-enenitrile,C=CCCCCCCCCC#N,C=CCCCCCCCCC#N,"InChI=1/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-10H2",C11H19N,,,,,,NRZJSHMHHFWKBV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.929,280-246-5,83221-67-4,"Sodium 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulpho-2-naphthyl]azo]phenyl]amino]-3-sulphophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 6-[(2,4-diaminophenyl)diazenyl]-3-[(4-{[4-({7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)phenyl]amino}-3-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].OS(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S(O)(=O)=O)N=Nc6c(cc5cc(c(cc5c6O)N=Nc7ccc(N)cc7N)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].OS(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S(O)(=O)=O)N=Nc6c(cc5cc(c(cc5c6O)N=Nc7ccc(N)cc7N)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C44H35N13O14S4.2Na/c45-23-2-10-33(31(47)16-23)53-51-27-4-1-21-13-39(74(66,67)68)41(43(58)29(21)18-27)56-50-26-7-5-25(6-8-26)49-35-12-9-28(19-38(35)73(63,64)65)52-57-42-40(75(69,70)71)15-22-14-37(72(60,61)62)36(20-30(22)44(42)59)55-54-34-11-3-24(46)17-32(34)48;;/h1-20,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71);;/q;2*+1/p-2",C44H35N13O11S3.xNa,,,,,,RJXBJIVWRMIJGM-UHFFFAOYSA-L,,,,,,,,,,,
100.072.930,280-247-0,83221-68-5,"Trilithium 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate","trilithium 6-[(2,4-diaminophenyl)diazenyl]-3-[(4-{[4-({7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)phenyl]amino}-3-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate",[Li+].[Li+].[Li+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S([O-])(=O)=O,[Li+].[Li+].[Li+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S([O-])(=O)=O,"InChI=1/C44H35N13O11S3.3Li/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3",C44H35N13O11S3.3Li,,,,,,UYAQHJZYWWOBFT-UHFFFAOYSA-K,,,,,,,,,,,
100.073.123,280-458-8,83487-95-0,3-hydroxy-4-[[2-methyl-5-[(1-methylethoxy)carbonyl]phenyl]azo]-2-naphthoic acid,3-hydroxy-4-{[5-(isopropoxycarbonyl)-2-methylphenyl]diazenyl}-2-naphthoic acid,CC(C)OC(=O)c3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(C)cc3,CC(C)OC(=O)c3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(C)cc3,"InChI=1/C22H20N2O5/c1-12(2)29-22(28)15-9-8-13(3)18(11-15)23-24-19-16-7-5-4-6-14(16)10-17(20(19)25)21(26)27/h4-12,25H,1-3H3,(H,26,27)",C22H20N2O5,,,,,,PUXFWKDBUFGVKA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.753,282-254-4,84145-29-9,"Benzothiazole-2(3H)-thione, compound with 2,2'-iminobis[ethanol] (1:1)","1,3-benzothiazole-2(3H)-thione - 2,2'-iminodiethanol (1:1)",OCCNCCO.S=C1Nc2ccccc2S1,OCCNCCO.S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.C4H11NO2/c9-7-8-5-3-1-2-4-6(5)10-7;6-3-1-5-2-4-7/h1-4H,(H,8,9);5-7H,1-4H2",C7H5NS2.C4H11NO2,,,,,,NKMFKNYKFLLGCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.754,282-256-5,84145-30-2,"Sebacic acid, compound with 2,2'-iminodiethanol","decanedioic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)CCCCCCCCC(=O)O,OCCNCCO.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C4H11NO2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;6-3-1-5-2-4-7/h1-8H2,(H,11,12)(H,13,14);5-7H,1-4H2",C10H18O4.xC4H11NO2,,,,,,MXBMZMIQYRQONB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.776,282-280-6,84145-53-9,"Methyl 2-[[2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenylidene]amino]benzoate","methyl 2-{[2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-1-ylidene]amino}benzoate",C\\C2=C\\CCC(C)(C)C2C=CC(C)C=Nc1ccccc1C(=O)OC,C\C2=C\CCC(C)(C)C2C=CC(C)C=Nc1ccccc1C(=O)OC,"InChI=1/C22H29NO2/c1-16(12-13-19-17(2)9-8-14-22(19,3)4)15-23-20-11-7-6-10-18(20)21(24)25-5/h6-7,9-13,15-16,19H,8,14H2,1-5H3",C22H29NO2,,,,,,VDNUEGIWGWSOCU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.778,282-282-7,84145-55-1,"4-tert-butyl-1-(3,3-dimethoxypropyl)benzene","1-tert-butyl-4-(3,3-dimethoxypropyl)benzene",COC(CCc1ccc(cc1)C(C)(C)C)OC,COC(CCc1ccc(cc1)C(C)(C)C)OC,"InChI=1/C15H24O2/c1-15(2,3)13-9-6-12(7-10-13)8-11-14(16-4)17-5/h6-7,9-10,14H,8,11H2,1-5H3",C15H24O2,,,,,,HVZIFEPQRGVYQS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.780,282-284-8,84145-57-3,5'-isopropyl-2'-methylpropiophenone,1-(5-isopropyl-2-methylphenyl)propan-1-one,CCC(=O)c1cc(ccc1C)C(C)C,CCC(=O)c1cc(ccc1C)C(C)C,"InChI=1/C13H18O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6-9H,5H2,1-4H3",C13H18O,,,,,,ITZRSUKOUHROOX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.999,282-525-7,84254-80-8,3-methylbut-2-enyl 2-methylbutyrate,3-methylbut-2-en-1-yl 2-methylbutanoate,CCC(C)C(=O)OCC=C(C)C,CCC(C)C(=O)OCC=C(C)C,"InChI=1/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h6,9H,5,7H2,1-4H3",C10H18O2,,,,,,SPZJCVIOUQJWGX-UHFFFAOYSA-N,,,,,,,,,,,
100.076.757,284-463-6,84901-27-9,Triethoxysilylpropyltrimethylammonium chloride,"N,N,N-trimethyl-1-(triethoxysilyl)propan-1-aminium chloride",[Cl-].CCO[Si](OCC)(OCC)C(CC)[N+](C)(C)C,[Cl-].CCO[Si](OCC)(OCC)C(CC)[N+](C)(C)C,"InChI=1/C12H30NO3Si.ClH/c1-8-12(13(5,6)7)17(14-9-2,15-10-3)16-11-4;/h12H,8-11H2,1-7H3;1H/q+1;/p-1",C12H30NO3Si.Cl,,,,,,MVYLHRSUMWTUJE-UHFFFAOYSA-M,,,,,,,,,,,
100.049.510,254-480-3,39512-50-0,1-(2-chlorophenyl)piperazine,1-(2-chlorophenyl)piperazine,Clc1ccccc1N2CCNCC2,Clc1ccccc1N2CCNCC2,"InChI=1/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2",C10H13ClN2,,,,,,PWZDJIUQHUGFRJ-UHFFFAOYSA-N,Positive,EQ347001|EQ347002|EQ347003|EQ347004|EQ347005|EQ347006|EQ347007|EQ347008|EQ347009,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,197.0839:154.0418:70.0651|197.0839:154.0418:195.0685|197.0839:154.0417:119.073|154.0417:119.0729:197.084|154.0417:119.0729:118.0651|118.0651:119.0729:154.0418|118.065:91.0542:117.0573|91.0542:118.0651:65.0386|91.0542:65.0386:118.0651,Eawag,,,,,
100.049.513,254-484-5,39515-40-7,"a-cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","cyano(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)C,CC(=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)C,"InChI=1/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3",C24H25NO3,,,,,,FJDPATXIBIBRIM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.516,254-487-1,39515-51-0,m-phenoxybenzaldehyde,3-phenoxybenzaldehyde,O=Cc1cccc(Oc2ccccc2)c1,O=Cc1cccc(Oc2ccccc2)c1,InChI=1/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H,C13H10O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2116,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.516,MRLGCTNJRREZHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.519,254-490-8,39520-24-6,Dimethyl isobutylmalonate,dimethyl isobutylmalonate,COC(=O)C(CC(C)C)C(=O)OC,COC(=O)C(CC(C)C)C(=O)OC,"InChI=1/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3",C9H16O4,,,,,,GAZFDPSEEIVCEX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.331,256-483-5,49773-24-2,Ethyl 2-methyl-2-(methylthio)propionate,ethyl 2-methyl-2-(methylsulfanyl)propanoate,CCOC(=O)C(C)(C)SC,CCOC(=O)C(C)(C)SC,"InChI=1/C7H14O2S/c1-5-9-6(8)7(2,3)10-4/h5H2,1-4H3",C7H14O2S,,,,,,JLURSSXMQSLZQL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.344,256-497-1,49831-04-1,"2-[(1,4-dihydroxy-9,10-dioxo-2-anthryl)thio]ethyl benzoate","2-[(1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfanyl]ethyl benzoate",Oc1cc(SCCOC(=O)c2ccccc2)c(O)c3C(=O)c4ccccc4C(=O)c13,Oc1cc(SCCOC(=O)c2ccccc2)c(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C23H16O6S/c24-16-12-17(30-11-10-29-23(28)13-6-2-1-3-7-13)22(27)19-18(16)20(25)14-8-4-5-9-15(14)21(19)26/h1-9,12,24,27H,10-11H2",C23H16O6S,,,,,,DMLGTNUPSULYID-UHFFFAOYSA-N,,,,,,,,,,,
100.051.349,256-502-7,49850-04-6,"6-ethoxy-7-methoxy-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione","6-ethoxy-7-methoxy-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione",CCOc1ccc2C(=O)N(C)C(=O)c3ccc(OC)c1c23,CCOc1ccc2C(=O)N(C)C(=O)c3ccc(OC)c1c23,"InChI=1/C16H15NO4/c1-4-21-12-8-6-10-13-9(15(18)17(2)16(10)19)5-7-11(20-3)14(12)13/h5-8H,4H2,1-3H3",C16H15NO4,,,,,,HJFUELYSJZDVSR-UHFFFAOYSA-N,,,,,,,,,,,
100.051.353,256-506-9,49869-07-0,N-[3-[tris(2-methoxyethoxy)silyl]propyl]ethylenediamine,"N-{3-[tris(2-methoxyethoxy)silyl]propyl}ethane-1,2-diamine",COCCO[Si](CCCNCCN)(OCCOC)OCCOC,COCCO[Si](CCCNCCN)(OCCOC)OCCOC,"InChI=1/C14H34N2O6Si/c1-17-8-11-20-23(21-12-9-18-2,22-13-10-19-3)14-4-6-16-7-5-15/h16H,4-15H2,1-3H3",C14H34N2O6Si,,,,,,WPOBIZMXCBJKNO-UHFFFAOYSA-N,,,,,,,,,,,
100.051.361,256-515-8,50274-83-4,"3,4,5-trichloro-2-hydroxybenzoyl chloride","3,4,5-trichloro-2-hydroxybenzoyl chloride",Oc1c(Cl)c(Cl)c(Cl)cc1C(=O)Cl,Oc1c(Cl)c(Cl)c(Cl)cc1C(=O)Cl,"InChI=1/C7H2Cl4O2/c8-3-1-2(7(11)13)6(12)5(10)4(3)9/h1,12H",C7H2Cl4O2,,,,,,IQRVLVXGJGIZCY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.362,256-516-3,50274-85-6,"4-amino-2,4'-dichlorobenzophenone",(4-amino-2-chlorophenyl)(4-chlorophenyl)methanone,Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1,Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1,"InChI=1/C13H9Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7H,16H2",C13H9Cl2NO,,,,,,WIXSUPUXSXRDEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.363,256-517-9,50274-95-8,"Alpha,2-dichloro-4-nitrotoluene",2-chloro-1-(chloromethyl)-4-nitrobenzene,[O-][N+](=O)c1ccc(CCl)c(Cl)c1,[O-][N+](=O)c1ccc(CCl)c(Cl)c1,"InChI=1/C7H5Cl2NO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2",C7H5Cl2NO2,,,,,,OFZJESMXFWZEAW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.364,256-518-4,50274-96-9,"2-chloro-1-[(2,4-dichlorophenyl)methyl]-4-nitrobenzene","2,4-dichloro-1-(2-chloro-4-nitrobenzyl)benzene",[O-][N+](=O)c1ccc(Cc2ccc(Cl)cc2Cl)c(Cl)c1,[O-][N+](=O)c1ccc(Cc2ccc(Cl)cc2Cl)c(Cl)c1,"InChI=1/C13H8Cl3NO2/c14-10-3-1-8(12(15)6-10)5-9-2-4-11(17(18)19)7-13(9)16/h1-4,6-7H,5H2",C13H8Cl3NO2,,,,,,CVIPZLAFYGJMQY-UHFFFAOYSA-N,,,,,,,,,,,
100.051.365,256-520-5,50277-27-5,"Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methylpropanoate",CC(C)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CC(C)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3",C14H24O2,,,,,,KRKIAJBQOUBNSE-MISXGVKJSA-N,,,,,,,,,,,
100.051.368,256-523-1,50292-91-6,"3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)phthalide","3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one",CCCCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)c5c(C)n(CCCC)c6ccccc56,CCCCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)c5c(C)n(CCCC)c6ccccc56,"InChI=1/C34H36N2O2/c1-5-7-21-35-23(3)31(26-16-10-13-19-29(26)35)34(28-18-12-9-15-25(28)33(37)38-34)32-24(4)36(22-8-6-2)30-20-14-11-17-27(30)32/h9-20H,5-8,21-22H2,1-4H3",C34H36N2O2,,,,,,JZEPXWWZAJGALH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.663,257-949-0,52483-84-8,"p-nitrophenyl dihydrogen phosphate, compound with cyclohexylamine (1:2)",4-nitrophenyl dihydrogen phosphate - cyclohexanamine (1:2),NC1CCCCC1.[O-][N+](=O)c1ccc(OP(O)(=O)O)cc1.NC1CCCCC1,NC1CCCCC1.[O-][N+](=O)c1ccc(OP(O)(=O)O)cc1.NC1CCCCC1,"InChI=1/C6H6NO6P.2C6H13N/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*7-6-4-2-1-3-5-6/h1-4H,(H2,10,11,12);2*6H,1-5,7H2",C6H13N.1/2C6H6NO6P,,,,,,KXNNUYCXODNFBD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.948,280-266-4,83232-34-2,"Ammonium sodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)naphthalene-1-sulphonate]",ammonium sodium 4-hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-8-sulfonato-2-naphthyl]carbamoyl}amino)-3-(phenyldiazenyl)naphthalene-1-sulfonate,[NH4+].[Na+].[O-]S(=O)(=O)c2cc(N=Nc1ccccc1)c(O)c3ccc(cc23)NC(=O)Nc4ccc6c(c4)c(cc(N=Nc5ccccc5)c6O)S([O-])(=O)=O,[NH4+].[Na+].[O-]S(=O)(=O)c2cc(N=Nc1ccccc1)c(O)c3ccc(cc23)NC(=O)Nc4ccc6c(c4)c(cc(N=Nc5ccccc5)c6O)S([O-])(=O)=O,"InChI=1/C33H24N6O9S2.H3N.Na/c40-31-23-13-11-21(15-25(23)29(49(43,44)45)17-27(31)38-36-19-7-3-1-4-8-19)34-33(42)35-22-12-14-24-26(16-22)30(50(46,47)48)18-28(32(24)41)39-37-20-9-5-2-6-10-20;;/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);1H3;/q;;+1/p-1",C33H24N6O9S2.xH3N.xNa,,,,,,XSXIWFLRUMVFJY-UHFFFAOYSA-M,,,,,,,,,,,
100.073.121,280-456-7,83438-56-6,(Z)-3-[[3-(octadec-9-enyloxy)-3-oxopropyl]thio]propionic acid,3-{[3-(octadec-9-en-1-yloxy)-3-oxopropyl]sulfanyl}propanoic acid,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CCSCCC(=O)O,CCCCCCCC\C=C/CCCCCCCCOC(=O)CCSCCC(=O)O,"InChI=1/C24H44O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24(27)19-22-29-21-18-23(25)26/h9-10H,2-8,11-22H2,1H3,(H,25,26)",C24H44O4S,,,,,,RWKKAEQFAWDJDP-KTKRTIGZSA-N,,,,,,,,,,,
100.074.751,282-252-3,84145-27-7,"cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulphonate monohydrochloride","[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate hydrochloride",Cl.CS(=O)(=O)OCC1COC(Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl,Cl.CS(=O)(=O)OCC1COC(Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl,"InChI=1/C15H16Cl2N2O5S.ClH/c1-25(20,21)23-8-12-7-22-15(24-12,9-19-5-4-18-10-19)13-3-2-11(16)6-14(13)17;/h2-6,10,12H,7-9H2,1H3;1H",C15H16Cl2N2O5S.ClH,,,,,,AOZVYCWQGCZSPV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.766,282-269-6,84145-42-6,(E)-N-ethyl-2-(6-methyl-3-pyridyl)vinylamine,N-ethyl-2-(6-methylpyridin-3-yl)ethenamine,CCN\\C=C\\c1ccc(C)nc1,CCN\C=C\c1ccc(C)nc1,"InChI=1/C10H14N2/c1-3-11-7-6-10-5-4-9(2)12-8-10/h4-8,11H,3H2,1-2H3",C10H14N2,,,,,,DWCXVXSMSLSVHF-VOTSOKGWSA-N,,,,,,,,,,,
100.074.769,282-272-2,84145-45-9,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[ethyl(2-phenoxyethyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[ethyl(2-phenoxyethyl)amino]-4-methoxyphenyl}acetamide",Brc3cc(cc(c3N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCOc2ccccc2)[N+]([O-])=O)[N+]([O-])=O,Brc3cc(cc(c3N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCOc2ccccc2)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C25H25BrN6O7/c1-4-30(10-11-39-18-8-6-5-7-9-18)22-14-20(27-16(2)33)21(15-24(22)38-3)28-29-25-19(26)12-17(31(34)35)13-23(25)32(36)37/h5-9,12-15H,4,10-11H2,1-3H3,(H,27,33)",C25H25BrN6O7,,,,,,JBPPICPDUHMIPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.774,282-278-5,84145-51-7,"Tetrahydro-2,4-dimethyl-6-phenyl-2H-pyran-4-ol","2,4-dimethyl-6-phenyltetrahydro-2H-pyran-4-ol",CC1CC(C)(O)CC(O1)c2ccccc2,CC1CC(C)(O)CC(O1)c2ccccc2,"InChI=1/C13H18O2/c1-10-8-13(2,14)9-12(15-10)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3",C13H18O2,,,,,,GTDWBOZGGBDJGL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.784,282-289-5,84145-61-9,"Dodecanedioic acid, sodium salt, compound with 2-aminoethanol",sodium 11-carboxyundecanoate - 2-aminoethanol (1:1),[Na+].NCCO.OC(=O)CCCCCCCCCCC(=O)[O-],[Na+].NCCO.OC(=O)CCCCCCCCCCC(=O)[O-],"InChI=1/C12H22O4.C2H7NO.Na/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;3-1-2-4;/h1-10H2,(H,13,14)(H,15,16);4H,1-3H2;/q;;+1/p-1",C12H22O4.xC2H7NO.xNa,,,,,,KSULGMKMDISXAG-UHFFFAOYSA-M,,,,,,,,,,,
100.076.752,284-457-3,84896-41-3,"5,23-diethyl-8,8,14,14,20,20-hexaoctyl-10,18-dioxo-7,9,19,21-tetraoxa-13,15-dithia-8,14,20-tristannaheptacosane","5,23-diethyl-8,8,14,14,20,20-hexaoctyl-10,18-dioxo-7,9,19,21-tetraoxa-13,15-dithia-8,14,20-tristannaheptacosane",CCCCCCCC[Sn](CCCCCCCC)(OCC(CC)CCCC)OC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OCC(CC)CCCC,CCCCCCCC[Sn](CCCCCCCC)(OCC(CC)CCCC)OC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OCC(CC)CCCC,"InChI=1/2C8H17O.6C8H17.2C3H6O2S.3Sn/c2*1-3-5-6-8(4-2)7-9;6*1-3-5-7-8-6-4-2;2*4-3(5)1-2-6;;;/h2*8H,3-7H2,1-2H3;6*1,3-8H2,2H3;2*6H,1-2H2,(H,4,5);;;/q2*-1;;;;;;;;;3*+2/p-4/rC70H144O6S2Sn3/c1-11-21-29-35-41-47-59-79(60-48-42-36-30-22-12-2,73-65-67(19-9)53-27-17-7)75-69(71)55-57-77-81(63-51-45-39-33-25-15-5,64-52-46-40-34-26-16-6)78-58-56-70(72)76-80(61-49-43-37-31-23-13-3,62-50-44-38-32-24-14-4)74-66-68(20-10)54-28-18-8/h67-68H,11-66H2,1-10H3",C70H144O6S2Sn3,,,,,,KSQSDWUVCROFKJ-UHFFFAOYSA-J,,,,,,,,,,,
100.076.771,284-478-8,84912-15-2,Sodium 5-[(4-amino-5-ethoxy-o-tolyl)azo]-2-chlorobenzenesulphonate,sodium 5-[(4-amino-5-ethoxy-2-methylphenyl)diazenyl]-2-chlorobenzenesulfonate,[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2cc(OCC)c(N)cc2C,[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2cc(OCC)c(N)cc2C,"InChI=1/C15H16ClN3O4S.Na/c1-3-23-14-8-13(9(2)6-12(14)17)19-18-10-4-5-11(16)15(7-10)24(20,21)22;/h4-8H,3,17H2,1-2H3,(H,20,21,22);/q;+1/p-1",C15H16ClN3O4S.Na,,,,,,KOPZIULFSPMUAX-UHFFFAOYSA-M,,,,,,,,,,,
100.076.775,284-483-5,84912-19-6,"4-isopropyl-5,5-dimethyl-2-(1-phenylethyl)-1,3-dioxane","4-isopropyl-5,5-dimethyl-2-(1-phenylethyl)-1,3-dioxane",CC(C)C1OC(OCC1(C)C)C(C)c2ccccc2,CC(C)C1OC(OCC1(C)C)C(C)c2ccccc2,"InChI=1/C17H26O2/c1-12(2)15-17(4,5)11-18-16(19-15)13(3)14-9-7-6-8-10-14/h6-10,12-13,15-16H,11H2,1-5H3",C17H26O2,,,,,,CPWDBSWFAGSNKH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.638,278-824-7,78062-19-8,5-(o-isocyanatobenzyl)-o-tolyl isocyanate,2-isocyanato-4-(2-isocyanatobenzyl)-1-methylbenzene,Cc1ccc(Cc2ccccc2N=C=O)cc1N=C=O,Cc1ccc(Cc2ccccc2N=C=O)cc1N=C=O,"InChI=1/C16H12N2O2/c1-12-6-7-13(9-16(12)18-11-20)8-14-4-2-3-5-15(14)17-10-19/h2-7,9H,8H2,1H3",C16H12N2O2,,,,,,YZAANVHLGKJXSM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.691,277-783-2,74230-03-8,Zinc bis(p-nonylphenolate),zinc bis(4-nonylphenolate),[Zn+2].CCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCc2ccc([O-])cc2,[Zn+2].CCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCc2ccc([O-])cc2,"InChI=1/2C15H24O.Zn/c2*1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;/h2*10-13,16H,2-9H2,1H3;/q;;+2/p-2",C15H24O.1/2Zn,,,,,,UQYXBOKTDPWSCS-UHFFFAOYSA-L,,,,,,,,,,,
100.070.695,277-787-4,74249-09-5,(S)-4-(3-aminobutyl)benzamide,4-(3-aminobutyl)benzamide,C[C@H](N)CCc1ccc(cc1)C(=O)N,C[C@H](N)CCc1ccc(cc1)C(=O)N,"InChI=1/C11H16N2O/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h4-8H,2-3,12H2,1H3,(H2,13,14)",C11H16N2O,,,,,,UMPFJWRYLQLSTG-QMMMGPOBSA-N,,,,,,,,,,,
100.070.699,277-792-1,74263-37-9,Calcium L-cystinate,"calcium 3,3'-disulfanediylbis(2-aminopropanoate)",[Ca+2].N[C@@H](CSSC[C@H](N)C(=O)[O-])C(=O)[O-],[Ca+2].N[C@@H](CSSC[C@H](N)C(=O)[O-])C(=O)[O-],"InChI=1/C6H12N2O4S2.Ca/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);/q;+2/p-2",C6H12N2O4S2.xCa,,,,,,ZGOFPSNBXMTNNO-MMALYQPHSA-L,,,,,,,,,,,
100.070.701,277-794-2,74263-50-6,"3-(N-dodecyl-2-hydroxyethylamino)propane-1,2-diol","3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol",CCCCCCCCCCCCN(CCO)CC(O)CO,CCCCCCCCCCCCN(CCO)CC(O)CO,"InChI=1/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18(13-14-19)15-17(21)16-20/h17,19-21H,2-16H2,1H3",C17H37NO3,,,,,,NXWRADQGCVGQIY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.231,254-172-9,38875-53-5,"5-bromopyridine-2,3-diamine","5-bromopyridine-2,3-diamine",Nc1cc(Br)cnc1N,Nc1cc(Br)cnc1N,"InChI=1/C5H6BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9)",C5H6BrN3,,,,,,YRGMYJUKFJPNPD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.234,254-176-0,38880-58-9,(2-hydroxyethyl)dimethyl(3-sulphopropyl)ammonium hydroxide,"N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium hydroxide",[OH-].C[N+](C)(CCO)CCCS(=O)(=O)O,[OH-].C[N+](C)(CCO)CCCS(=O)(=O)O,"InChI=1/C7H17NO4S.H2O/c1-8(2,5-6-9)4-3-7-13(10,11)12;/h9H,3-7H2,1-2H3;1H2",C7H17NO4S,,,,,,QDYXZZUKRVDVEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.237,254-179-7,38888-98-1,(phenylethyl)benzene,"1,1'-ethane-1,1-diyldibenzene",CC(c1ccccc1)c2ccccc2,CC(c1ccccc1)c2ccccc2,"InChI=1/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3",C14H14,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12348,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.237,BSZXAFXFTLXUFV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.238,254-180-2,38890-40-3,"Styrene, monophosphono derivative",(2-vinylphenyl)phosphonic acid,OP(=O)(O)c1ccccc1C=C,OP(=O)(O)c1ccccc1C=C,"InChI=1/C8H9O3P/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H,1H2,(H2,9,10,11)",C8H9O3P,,,,,,OVQLKUACUJJQGA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.242,254-184-4,38900-29-7,Dilithium azelate,dilithium azelaate,[Li+].[Li+].[O-]C(=O)CCCCCCCC(=O)[O-],[Li+].[Li+].[O-]C(=O)CCCCCCCC(=O)[O-],"InChI=1/C9H16O4.2Li/c10-8(11)6-4-2-1-3-5-7-9(12)13;;/h1-7H2,(H,10,11)(H,12,13);;/q;2*+1/p-2",C9H16O4.2Li,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17469,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.242,KCEQQLDYFGMIGU-UHFFFAOYSA-L,,,,,,,,,,,
100.050.750,255-844-4,42485-84-7,2-(ethylamino)-p-cresol,2-(ethylamino)-4-methylphenol,CCNc1cc(C)ccc1O,CCNc1cc(C)ccc1O,"InChI=1/C9H13NO/c1-3-10-8-6-7(2)4-5-9(8)11/h4-6,10-11H,3H2,1-2H3",C9H13NO,,,,,,XXAGRMCFQRKKEE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.756,255-851-2,42492-22-8,N2-(1-oxododecyl)-L-arginine,N~2~-dodecanoyl-L-arginine,CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C18H36N4O3/c1-2-3-4-5-6-7-8-9-10-13-16(23)22-15(17(24)25)12-11-14-21-18(19)20/h15H,2-14H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21)",C18H36N4O3,,,,,,XTJKNGLLPGBHHO-HNNXBMFYSA-N,,,,,,,,,,,
100.050.762,255-858-0,42507-55-1,"(1a,2ß,5ß)-4,5-dimethyl-2-(2-methylpropen-1-yl)cyclohex-3-ene-1-carbaldehyde","4,5-dimethyl-2-(2-methylprop-1-en-1-yl)cyclohex-3-ene-1-carbaldehyde",C[C@H]1C[C@H](C=O)[C@@H](C=C(C)C)C=C1C,C[C@H]1C[C@H](C=O)[C@@H](C=C(C)C)C=C1C,"InChI=1/C13H20O/c1-9(2)5-12-6-10(3)11(4)7-13(12)8-14/h5-6,8,11-13H,7H2,1-4H3",C13H20O,,,,,,DBKJZSIBBKOBCN-RWMBFGLXSA-N,,,,,,,,,,,
100.050.766,255-862-2,42509-62-6,"5-chloro-1,2-dihydro-1-isopropyl-3H-1,2,4-triazol-3-one","5-chloro-1-isopropyl-1,2-dihydro-3H-1,2,4-triazol-3-one",CC(C)N1NC(=O)N=C1Cl,CC(C)N1NC(=O)N=C1Cl,"InChI=1/C5H8ClN3O/c1-3(2)9-4(6)7-5(10)8-9/h3H,1-2H3,(H,8,10)",C5H8ClN3O,,,,,,ZPVFNVKXPPDEOU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.767,255-863-8,42509-80-8,"O-(5-chloro-1-isopropyl-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate","O-(5-chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethyl thiophosphate",CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C,CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C,"InChI=1/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3",C9H17ClN3O3PS,,,,,,XRHGWAGWAHHFLF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.480,281-954-7,84070-00-8,"Phosphoric acid, decyl ester, potassium salt",potassium decyl hydrogen phosphate,[K+].CCCCCCCCCCOP(=O)(O)[O-],[K+].CCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C10H23O4P.K/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H2,11,12,13);/q;+1/p-1",-,,,,,,DSQQMDYFAZUMFS-UHFFFAOYSA-M,,,,,,,,,,,
100.076.130,283-773-9,84712-82-3,"2,2,6,6-tetramethylpiperidin-4-yl isocyanate","4-isocyanato-2,2,6,6-tetramethylpiperidine",CC1(C)CC(CC(C)(C)N1)N=C=O,CC1(C)CC(CC(C)(C)N1)N=C=O,"InChI=1/C10H18N2O/c1-9(2)5-8(11-7-13)6-10(3,4)12-9/h8,12H,5-6H2,1-4H3",C10H18N2O,,,,,,DURXSPOWVBWKMA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.135,283-779-1,84712-89-0,3-propylhept-2-enal,3-propylhept-2-enal,CCCCC(CCC)=CC=O,CCCCC(CCC)=CC=O,"InChI=1/C10H18O/c1-3-5-7-10(6-4-2)8-9-11/h8-9H,3-7H2,1-2H3",C10H18O,,,,,,OCXBCRILLZNZPA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.762,284-468-3,84912-06-1,"3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one monohydrochloride","3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one hydrochloride",Cl.CNC1CC(C)N(C)C(=O)C1C(=O)C,Cl.CNC1CC(C)N(C)C(=O)C1C(=O)C,"InChI=1/C10H18N2O2.ClH/c1-6-5-8(11-3)9(7(2)13)10(14)12(6)4;/h6,8-9,11H,5H2,1-4H3;1H",C10H18N2O2.ClH,,,,,,RISJCEZXYVJVKK-UHFFFAOYSA-N,,,,,,,,,,,
100.076.763,284-469-9,84912-07-2,"1-(1,2-dihydro-3-pyridyl)ethan-1-one hydrochloride","1-(1,2-dihydropyridin-3-yl)ethanone hydrochloride",Cl.CC(=O)C1=CC=CNC1,Cl.CC(=O)C1=CC=CNC1,"InChI=1/C7H9NO.ClH/c1-6(9)7-3-2-4-8-5-7;/h2-4,8H,5H2,1H3;1H",C7H9NO.ClH,,,,,,ORWYYDIZXNMHQM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.768,284-475-1,84912-12-9,"Sodium 3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-5-nitrobenzenesulphonate","sodium 3-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-hydroxy-5-nitrobenzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)c(c3)[N+]([O-])=O,[Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)c(c3)[N+]([O-])=O,"InChI=1/C16H12ClN5O7S.Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(30(27,28)29)7-13(15(12)23)22(25)26;/h2-7,14,23H,1H3,(H,27,28,29);/q;+1/p-1",C16H12ClN5O7S.Na,,,,,,HBSUOVGJEQNENL-UHFFFAOYSA-M,,,,,,,,,,,
100.076.772,284-479-3,84912-16-3,5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]azo]-3-sulphosalicylic acid,5-({4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)-2-hydroxy-3-sulfobenzoic acid,COc3cc(N=Nc1cc(C(O)=O)c(O)c(c1)S(O)(=O)=O)c(C)cc3NC(=O)c2cccc(N)c2,COc3cc(N=Nc1cc(C(O)=O)c(O)c(c1)S(O)(=O)=O)c(C)cc3NC(=O)c2cccc(N)c2,"InChI=1/C22H20N4O8S/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33/h3-10,27H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33)",C22H20N4O8S,,,,,,BUQAUTCFQDXNMT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.777,284-485-6,84912-22-1,"9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydrogen sulphate","9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium hydrogen sulfate",CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.[O-]S(=O)(=O)[O-],CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.[O-]S(=O)(=O)[O-],"InChI=1/C28H30N2O3.H2O4S/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-5(2,3)4/h9-18H,5-8H2,1-4H3;(H2,1,2,3,4)/p-1",C28H31N2O3.HO4S,,,,,,XGLVWIMHBIJOAD-UHFFFAOYSA-L,,,,,,,,,,,
100.071.648,278-835-7,78101-25-4,2-[2-[2-[(1-oxohexadecyl)oxy]ethoxy]ethoxy]ethyl stearate,2-{2-[2-(palmitoyloxy)ethoxy]ethoxy}ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCC,"InChI=1/C40H78O6/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(42)46-38-36-44-34-33-43-35-37-45-39(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",C40H78O6,,,,,,GLAJMFARNFZCGO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.650,278-837-8,78103-84-1,"1,2,3,4-tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile","4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile",CC1(C)CCC(C#N)c2ccccc12,CC1(C)CCC(C#N)c2ccccc12,"InChI=1/C13H15N/c1-13(2)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10H,7-8H2,1-2H3",C13H15N,,,,,,KVCDGRBBCSUPPR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.670,278-859-8,78181-99-4,[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl][3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyl]dimethylammonium chloride,"3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-N-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCN(CC)c1ccc(\\C=C(/C#N)\\C(=O)OCCC[N+](C)(C)CCOC(=O)\\C(=C\\c2ccc(cc2)N(CC)CC)\\C#N)cc1,[Cl-].CCN(CC)c1ccc(\C=C(/C#N)\C(=O)OCCC[N+](C)(C)CCOC(=O)\C(=C\c2ccc(cc2)N(CC)CC)\C#N)cc1,"InChI=1/C35H46N5O4.ClH/c1-7-38(8-2)32-16-12-28(13-17-32)24-30(26-36)34(41)43-22-11-20-40(5,6)21-23-44-35(42)31(27-37)25-29-14-18-33(19-15-29)39(9-3)10-4;/h12-19,24-25H,7-11,20-23H2,1-6H3;1H/q+1;/p-1",C35H46N5O4.Cl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11515,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.670,DLNMMVNCTSAPOW-LMKNCCGPSA-M,,,,,,,,,,,
100.071.671,278-860-3,78182-00-0,(2-hydroxyethyl)(3-hydroxypropyl)dimethylammonium chloride,"3-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(CCO)CCCO,[Cl-].C[N+](C)(CCO)CCCO,"InChI=1/C7H18NO2.ClH/c1-8(2,5-7-10)4-3-6-9;/h9-10H,3-7H2,1-2H3;1H/q+1;/p-1",C7H18NO2.Cl,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6764,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.671,UIJXBAKLIOLAFZ-UHFFFAOYSA-M,,,,,,,,,,,
100.072.978,280-299-4,83249-31-4,"Tetrasodium 2,2'-[[4,4'-bis[[4,5-dihydro-5-imino-3-methyl-1-(8-sulphonato-2-naphthyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-3,3'-diyl]bis(oxy)]bisacetate","tetrasodium 2,2'-[(4,4'-bis{[5-imino-3-methyl-1-(8-sulfonato-2-naphthyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-3,3'-diyl)bis(oxy)]diacetate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc2ccc(cc12)N8/N=C(/C)C(N=Nc3ccc(cc3OCC([O-])=O)c7ccc(N=NC6C(\\C)=N/N(c4ccc5cccc(c5c4)S([O-])(=O)=O)C6=N)c(OCC([O-])=O)c7)C8=N,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc2ccc(cc12)N8/N=C(/C)C(N=Nc3ccc(cc3OCC([O-])=O)c7ccc(N=NC6C(\C)=N/N(c4ccc5cccc(c5c4)S([O-])(=O)=O)C6=N)c(OCC([O-])=O)c7)C8=N,"InChI=1/C44H36N10O12S2.4Na/c1-23-41(43(45)53(51-23)29-13-9-25-5-3-7-37(31(25)19-29)67(59,60)61)49-47-33-15-11-27(17-35(33)65-21-39(55)56)28-12-16-34(36(18-28)66-22-40(57)58)48-50-42-24(2)52-54(44(42)46)30-14-10-26-6-4-8-38(32(26)20-30)68(62,63)64;;;;/h3-20,41-42,45-46H,21-22H2,1-2H3,(H,55,56)(H,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4",C44H36N10O12S2.4Na,,,,,,BKBHHQMXBMPRIM-UHFFFAOYSA-J,,,,,,,,,,,
100.052.673,257-960-0,52492-69-0,4-(dodecylamino)-4-oxoisocrotonic acid,4-(dodecylamino)-4-oxobut-2-enoic acid,CCCCCCCCCCCCNC(=O)\\C=C/C(=O)O,CCCCCCCCCCCCNC(=O)\C=C/C(=O)O,"InChI=1/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(19)20/h12-13H,2-11,14H2,1H3,(H,17,18)(H,19,20)",C16H29NO3,,,,,,OEWYPDFKPCJYMS-SEYXRHQNSA-N,,,,,,,,,,,
100.052.687,257-975-2,52503-73-8,"Carbonic acid, aluminum sodium salt, basic",-,[Na+].[Al+3].[O-]C(=O)[O-],[Na+].[Al+3].[O-]C(=O)[O-],"InChI=1/CH2O3.Al.Na/c2-1(3)4;;/h(H2,2,3,4);;/q;+3;+1/p-2",-,,,,,,RLKCXYMHVYOZOF-UHFFFAOYSA-L,,,,,,,,,,,
100.052.691,257-979-4,52509-83-8,"Magnesium 4-(1,1-dimethylethyl)benzoate",magnesium bis(4-tert-butylbenzoate),[Mg+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],[Mg+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],"InChI=1/2C11H14O2.Mg/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",C11H14O2.1/2Mg,,,,,,OLQWRAPVOQGZQV-UHFFFAOYSA-L,,,,,,,,,,,
100.052.692,257-981-5,52509-84-9,"Calcium 4-(1,1-dimethylethyl)benzoate",calcium bis(4-tert-butylbenzoate),[Ca+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],[Ca+2].CC(C)(C)c1ccc(cc1)C(=O)[O-].CC(C)(C)c2ccc(cc2)C(=O)[O-],"InChI=1/2C11H14O2.Ca/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2",C11H14O2.1/2Ca,,,,,,AUVFNPKOUHBNBP-UHFFFAOYSA-L,,,,,,,,,,,
100.052.697,257-986-2,52514-66-6,"2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol","2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol",COc1cc(ccc1O)C2OC(C)CC(C)(C)O2,COc1cc(ccc1O)C2OC(C)CC(C)(C)O2,"InChI=1/C14H20O4/c1-9-8-14(2,3)18-13(17-9)10-5-6-11(15)12(7-10)16-4/h5-7,9,13,15H,8H2,1-4H3",C14H20O4,,,,,,CIOMDFVGRMKKNB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.704,257-994-6,52532-33-9,Sodium 4-hydrazinobenzenesulphonate,sodium 4-hydrazinobenzenesulfonate,[Na+].NNc1ccc(cc1)S(=O)(=O)[O-],[Na+].NNc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H8N2O3S.Na/c7-8-5-1-3-6(4-2-5)12(9,10)11;/h1-4,8H,7H2,(H,9,10,11);/q;+1/p-1",C6H8N2O3S.Na,,,,,,OARBXUYPOHJWBG-UHFFFAOYSA-M,,,,,,,,,,,
100.052.706,257-996-7,52542-44-6,5-(aminosulphonyl)-2-methoxybenzoyl chloride,2-methoxy-5-sulfamoylbenzoyl chloride,COc1ccc(cc1C(=O)Cl)S(=O)(=O)N,COc1ccc(cc1C(=O)Cl)S(=O)(=O)N,"InChI=1/C8H8ClNO4S/c1-14-7-3-2-5(15(10,12)13)4-6(7)8(9)11/h2-4H,1H3,(H2,10,12,13)",C8H8ClNO4S,,,,,,XFZMCFJADJFEBB-UHFFFAOYSA-N,,,,,,,,,,,
100.048.356,253-209-6,36781-83-6,12-hydroxyoctadecyl docosanoate,12-hydroxyoctadecyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(O)CCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(O)CCCCCC,"InChI=1/C40H80O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-33-37-40(42)43-38-34-30-27-24-21-22-25-28-32-36-39(41)35-31-8-6-4-2/h39,41H,3-38H2,1-2H3",C40H80O3,,,,,,BPIZTXQQUVZKFT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.357,253-210-1,36783-03-6,3-[ethyl(3-methylphenyl)amino]propanesulphonic acid,3-[ethyl(3-methylphenyl)amino]propane-1-sulfonic acid,CCN(CCCS(=O)(=O)O)c1cccc(C)c1,CCN(CCCS(=O)(=O)O)c1cccc(C)c1,"InChI=1/C12H19NO3S/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16)",C12H19NO3S,,,,,,IBSUMVZKDLDAEK-UHFFFAOYSA-N,,,,,,,,,,,
100.048.368,253-222-7,36805-97-7,"1,1-bis(1,1-dimethylethoxy)-N,N,N-trimethylamine","1,1-di-tert-butoxy-N,N-dimethylmethanamine",CN(C)C(OC(C)(C)C)OC(C)(C)C,CN(C)C(OC(C)(C)C)OC(C)(C)C,"InChI=1/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3",C11H25NO2,,,,,,DBNQIOANXZVWIP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.371,253-225-3,36810-90-9,3-pyridylmethyl isothiocyanate,3-(isothiocyanatomethyl)pyridine,S=C=NCc1cccnc1,S=C=NCc1cccnc1,"InChI=1/C7H6N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4H,5H2",C7H6N2S,,,,,,BDSYDRBQHFQOQG-UHFFFAOYSA-N,,,,,,,,,,,
100.048.373,253-227-4,36822-11-4,6-phenyl-2-thiouracil,"6-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",O=C1NC(=S)NC(=C1)c2ccccc2,O=C1NC(=S)NC(=C1)c2ccccc2,"InChI=1/C10H8N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)",C10H8N2OS,,,,,,XEKNACRTWJHOCE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.876,254-882-9,40341-04-6,"2-(3,5-dimethyl-1H-pyrazol-1-yl)-1H-benzimidazole","2-(3,5-dimethyl-1H-pyrazol-1-yl)-1H-benzimidazole",Cc1cc(C)n(n1)c2nc3ccccc3[nH]2,Cc1cc(C)n(n1)c2nc3ccccc3[nH]2,"InChI=1/C12H12N4/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12/h3-7H,1-2H3,(H,13,14)",C12H12N4,,,,,,RUGYNGIMTAFTLP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.882,254-889-7,40364-80-5,3-hydroxy-2-(hydroxymethyl)propionaldehyde,3-hydroxy-2-(hydroxymethyl)propanal,OCC(CO)C=O,OCC(CO)C=O,"InChI=1/C4H8O3/c5-1-4(2-6)3-7/h1,4,6-7H,2-3H2",C4H8O3,,,,,,SHAAIYJHUTYDST-UHFFFAOYSA-N,,,,,,,,,,,
100.049.890,254-898-6,40379-24-6,Isononyl acetate,7-methyloctyl acetate,CC(C)CCCCCCOC(=O)C,CC(C)CCCCCCOC(=O)C,"InChI=1/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3",C11H22O2,,,,,,LJSJTXAZFHYHMM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.643,278-829-4,78092-07-6,"Diethyl 2,2-dimethylglutarate","diethyl 2,2-dimethylpentanedioate",CCOC(=O)CCC(C)(C)C(=O)OCC,CCOC(=O)CCC(C)(C)C(=O)OCC,"InChI=1/C11H20O4/c1-5-14-9(12)7-8-11(3,4)10(13)15-6-2/h5-8H2,1-4H3",C11H20O4,,,,,,QIZQGVMVRZIBBS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.662,278-850-9,78144-04-4,"Butyl 2,3,4,4-tetrachloro-2-butenoate","butyl 2,3,4,4-tetrachlorobut-2-enoate",ClC(C(=O)OCCCC)=C(Cl)C(Cl)Cl,ClC(C(=O)OCCCC)=C(Cl)C(Cl)Cl,"InChI=1/C8H10Cl4O2/c1-2-3-4-14-8(13)6(10)5(9)7(11)12/h7H,2-4H2,1H3",C8H10Cl4O2,,,,,,XKEIIIHSHOBHEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.663,278-851-4,78150-04-6,"Methyl 2,5-dichlorobenzenesulphonate","methyl 2,5-dichlorobenzenesulfonate",COS(=O)(=O)c1cc(Cl)ccc1Cl,COS(=O)(=O)c1cc(Cl)ccc1Cl,"InChI=1/C7H6Cl2O3S/c1-12-13(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3",C7H6Cl2O3S,,,,,,LPOZFGQJZQYOBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.971,280-292-6,83242-82-4,trans-4-(4-propylcyclohexyl)phenyl trans-4-pentylcyclohexanecarboxylate,4-(4-propylcyclohexyl)phenyl 4-pentylcyclohexanecarboxylate,CCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(cc2)C3CCC(CCC)CC3,CCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(cc2)C3CCC(CCC)CC3,"InChI=1/C27H42O2/c1-3-5-6-8-22-11-15-25(16-12-22)27(28)29-26-19-17-24(18-20-26)23-13-9-21(7-4-2)10-14-23/h17-23,25H,3-16H2,1-2H3",C27H42O2,,,,,,OMSQZXMXTHHWJM-LFFJHNDFSA-N,,,,,,,,,,,
100.072.979,280-300-8,83249-32-5,"Disodium 5-[[4-[[[4-[[6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl]azo]-2,5-diethoxyphenyl]amino]carbonyl]phenyl]azo]salicylate","disodium 5-({4-[(4-{[6-amino-1-hydroxy-3-sulfonato-5-(4H-1,2,4-triazol-3-yldiazenyl)-2-naphthyl]diazenyl}-2,5-diethoxyphenyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc3cc(OCC)c(cc3OCC)N=Nc6c(cc5c(N=Nc4ncnn4)c(N)ccc5c6O)S([O-])(=O)=O,[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc3cc(OCC)c(cc3OCC)N=Nc6c(cc5c(N=Nc4ncnn4)c(N)ccc5c6O)S([O-])(=O)=O,"InChI=1/C36H31N11O10S.2Na/c1-3-56-28-16-26(43-45-32-30(58(53,54)55)14-22-21(33(32)49)10-11-24(37)31(22)44-47-36-38-17-39-46-36)29(57-4-2)15-25(28)40-34(50)18-5-7-19(8-6-18)41-42-20-9-12-27(48)23(13-20)35(51)52;;/h5-17,48-49H,3-4,37H2,1-2H3,(H,40,50)(H,51,52)(H,38,39,46)(H,53,54,55);;/q;2*+1/p-2",C36H31N11O10S.2Na,,,,,,MUPWBMBCVSBSEN-UHFFFAOYSA-L,,,,,,,,,,,
100.072.983,280-305-5,83249-36-9,"1-[[2,5-dimethyl-4-(phenylazo)phenyl]azo]-2-naphthol","1-{[2,5-dimethyl-4-(phenyldiazenyl)phenyl]diazenyl}-2-naphthol",Cc4cc(N=Nc1c2ccccc2ccc1O)c(C)cc4N=Nc3ccccc3,Cc4cc(N=Nc1c2ccccc2ccc1O)c(C)cc4N=Nc3ccccc3,"InChI=1/C24H20N4O/c1-16-15-22(17(2)14-21(16)26-25-19-9-4-3-5-10-19)27-28-24-20-11-7-6-8-18(20)12-13-23(24)29/h3-15,29H,1-2H3",C24H20N4O,,,,,,OIUONFKAYDARJG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.223,258-564-0,53452-65-6,Butylquinoline,2-butylquinoline,CCCCc1ccc2ccccc2n1,CCCCc1ccc2ccccc2n1,"InChI=1/C13H15N/c1-2-3-7-12-10-9-11-6-4-5-8-13(11)14-12/h4-6,8-10H,2-3,7H2,1H3",C13H15N,,,,,,GMZLALYCWQSOQS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.224,258-565-6,53458-16-5,"1,2-bis(4-fluorophenyl)-2-hydroxyethan-1-one","1,2-bis(4-fluorophenyl)-2-hydroxyethanone",OC(C(=O)c1ccc(F)cc1)c2ccc(F)cc2,OC(C(=O)c1ccc(F)cc1)c2ccc(F)cc2,"InChI=1/C14H10F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13,17H",C14H10F2O2,,,,,,VGZHWXAFILGMSR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.229,258-570-3,53461-82-8,Oxydiethylene tetrakis(2-chloroethyl) bisphosphate,"10-chloro-7-(2-chloroethoxy)-7-oxido-3,6,8-trioxa-7-phosphadec-1-yl bis(2-chloroethyl) phosphate",ClCCOP(=O)(OCCCl)OCCOCCOP(=O)(OCCCl)OCCCl,ClCCOP(=O)(OCCCl)OCCOCCOP(=O)(OCCCl)OCCCl,"InChI=1/C12H24Cl4O9P2/c13-1-5-20-26(17,21-6-2-14)24-11-9-19-10-12-25-27(18,22-7-3-15)23-8-4-16/h1-12H2",C12H24Cl4O9P2,,,,,,BKPSPVSDCLSBBK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.248,258-591-8,53510-39-7,4-(1-methylvinyl)cyclohexene-1-propan-1-al,3-(4-isopropenylcyclohex-1-en-1-yl)propanal,CC(=C)C1CCC(=CC1)CCC=O,CC(=C)C1CCC(=CC1)CCC=O,"InChI=1/C12H18O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5,9,12H,1,3-4,6-8H2,2H3",C12H18O,,,,,,HABLRVJHEDGWBT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.252,250-893-8,32004-68-5,5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acid,{5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid,CS(=O)c1ccc(cc1)C=C3c2ccc(F)cc2C(\\CC(O)=O)=C3\\C,CS(=O)c1ccc(cc1)C=C3c2ccc(F)cc2C(\CC(O)=O)=C3\C,"InChI=1/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)",C20H17FO3S,,,,,,MLKXDPUZXIRXEP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.254,250-895-9,32013-83-5,2-methylnonadecan-1-oic acid,2-methylnonadecanoic acid,CCCCCCCCCCCCCCCCCC(C)C(=O)O,CCCCCCCCCCCCCCCCCC(C)C(=O)O,"InChI=1/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)",C20H40O2,,,,,,JEDJVGRAYGJZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.118,278-253-3,75536-36-6,a-(tert-butyl)-ß-(4-chlorophenoxy)-1H-imidazol-1-ethanol monohydrochloride,"1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-ol hydrochloride",Cl.CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2ccnc2,Cl.CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2ccnc2,"InChI=1/C15H19ClN2O2.ClH/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12;/h4-10,13-14,19H,1-3H3;1H",C15H19ClN2O2.ClH,,,,,,MMVDPROQZNDCDP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.950,251-660-3,33731-62-3,"3,4-dihydro-2,5-dipropyl-2H-pyran-2-carbaldehyde","2,5-dipropyl-3,4-dihydro-2H-pyran-2-carbaldehyde",CCCC1=COC(CCC)(CC1)C=O,CCCC1=COC(CCC)(CC1)C=O,"InChI=1/C12H20O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h9-10H,3-8H2,1-2H3",C12H20O2,,,,,,UDVDQPMLLBOKKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.951,251-661-9,33735-91-0,Guanine hydrochloride,"2-amino-1,9-dihydro-6H-purin-6-one hydrochloride",Cl.NC1=Nc2[nH]cnc2C(=O)N1,Cl.NC1=Nc2[nH]cnc2C(=O)N1,"InChI=1/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H",C5H5N5O.xClH,,,,,,IBAOFQIOOBQLHE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.955,251-666-6,33752-16-8,Tetrachloropyridine,"2,3,4,5-tetrachloropyridine",Clc1cnc(Cl)c(Cl)c1Cl,Clc1cnc(Cl)c(Cl)c1Cl,InChI=1/C5HCl4N/c6-2-1-10-5(9)4(8)3(2)7/h1H,C5HCl4N,,,,,,DLOOKZXVYJHDIY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.958,251-669-2,33755-46-3,"9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17-valerate","9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@]4(C(=O)CO)[C@H](C)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\\C(=O)/C=C3/CC[C@@H]12,CCCCC(=O)O[C@]4(C(=O)CO)[C@H](C)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/CC[C@@H]12,"InChI=1/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3",C27H37FO6,,,,,,SNHRLVCMMWUAJD-OMPPIWKSSA-N,,,,,,,,,,,
100.046.960,251-671-3,33767-03-2,Hydrocortisone 21-(sodium 3-sulphonatobenzoate),"sodium 3-{[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]carbonyl}benzenesulfonate",CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O[Na])C4(C)CC(O)C23,CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O[Na])C4(C)CC(O)C23,"InChI=1/C28H34O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,12-13,20-22,24,30,33H,6-11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/rC28H33NaO9S/c1-26-10-8-18(30)13-17(26)6-7-20-21-9-11-28(34,27(21,2)14-22(31)24(20)26)23(32)15-37-25(33)16-4-3-5-19(12-16)39(35,36)38-29/h3-5,12-13,20-22,24,31,34H,6-11,14-15H2,1-2H3",C28H34O9S.Na,,,,,,XGCAQYZQAVKKHC-UHFFFAOYSA-M,,,,,,,,,,,
100.046.963,251-675-5,33776-96-4,"Tetrahydro-4,6-dithioxo-1,3,5-triazin-2(1H)-one","4,6-dithioxo-1,3,5-triazinan-2-one",O=C1NC(=S)NC(=S)N1,O=C1NC(=S)NC(=S)N1,"InChI=1/C3H3N3OS2/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)",C3H3N3OS2,,,,,,IDYUFXLSXUPQOY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.964,251-676-0,33779-80-5,Chloroacetaldehyde O-acetyloxime,chloroacetaldehyde O-acetyloxime,CC(=O)O\\N=C\\CCl,CC(=O)O\N=C\CCl,"InChI=1/C4H6ClNO2/c1-4(7)8-6-3-2-5/h3H,2H2,1H3",C4H6ClNO2,,,,,,NNZSYRJHOFUIEM-ZZXKWVIFSA-N,,,,,,,,,,,
100.046.975,251-688-6,33817-20-8,Pivampicillin,"[(2,2-dimethylpropanoyl)oxy]methyl 6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O,CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O,"InChI=1/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)",C22H29N3O6S,,,,,,ZEMIJUDPLILVNQ-ZXFNITATSA-N,,,,,,,,,,,
100.046.978,251-691-2,33832-15-4,"(4aa,5aß,9aa,10aß)-octahydro-5aH,10aH-4a,9a-epoxydibenzo[b,e][1,4]dioxin-5a,10a-diol","octahydro-5aH,10aH-4a,9a-epoxyoxanthrene-5a,10a-diol",O[C@]12CCCC[C@]13O[C@@]4(O)CCCC[C@@]4(O2)O3,O[C@]12CCCC[C@]13O[C@@]4(O)CCCC[C@@]4(O2)O3,"InChI=1/C12H18O5/c13-9-5-1-3-7-11(9)16-10(14)6-2-4-8-12(10,15-9)17-11/h13-14H,1-8H2",C12H18O5,,,,,,IODJLIUJWUFTIH-NNYUYHANSA-N,,,,,,,,,,,
100.046.980,251-693-3,33836-43-0,"Ethyl 8-ethyl-5,8-dihydro-5-oxo-2-(pyrrolidinyl)pyrido[2,3-d]pyrimidine-6-carboxylate","ethyl 8-ethyl-5-oxo-2-pyrrolidin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate",CCOC(=O)C1=CN(CC)c2nc(ncc2C1=O)N3CCCC3,CCOC(=O)C1=CN(CC)c2nc(ncc2C1=O)N3CCCC3,"InChI=1/C16H20N4O3/c1-3-19-10-12(15(22)23-4-2)13(21)11-9-17-16(18-14(11)19)20-7-5-6-8-20/h9-10H,3-8H2,1-2H3",C16H20N4O3,,,,,,YHDMQPIYLBFFSM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.985,251-699-6,33851-99-9,2-(pyrrolidinyl)pyrimidin-4-amine,2-pyrrolidin-1-ylpyrimidin-4-amine,Nc1ccnc(n1)N2CCCC2,Nc1ccnc(n1)N2CCCC2,"InChI=1/C8H12N4/c9-7-3-4-10-8(11-7)12-5-1-2-6-12/h3-4H,1-2,5-6H2,(H2,9,10,11)",C8H12N4,,,,,,SUJUREVSGVCELS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.988,251-703-6,33863-86-4,4-butoxybenzoyl chloride,4-butoxybenzoyl chloride,CCCCOc1ccc(cc1)C(=O)Cl,CCCCOc1ccc(cc1)C(=O)Cl,"InChI=1/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3",C11H13ClO2,,,,,,KMGCTFHTBKBITO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.993,251-708-3,33872-70-7,N-(carboxymethyl)-N-[2-[(carboxymethyl)amino]-2-hydroxyethyl]glycine,N-{2-[bis(carboxymethyl)amino]-1-hydroxyethyl}glycine,OC(CN(CC(=O)O)CC(=O)O)NCC(=O)O,OC(CN(CC(=O)O)CC(=O)O)NCC(=O)O,"InChI=1/C8H14N2O7/c11-5(9-1-6(12)13)2-10(3-7(14)15)4-8(16)17/h5,9,11H,1-4H2,(H,12,13)(H,14,15)(H,16,17)",C8H14N2O7,,,,,,FSRYXNMJLCNZSB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.980,280-301-3,83249-33-6,"1,4,5-trihydroxy-8-[(2-hydroxyethyl)amino]anthraquinone","1,4,5-trihydroxy-8-[(2-hydroxyethyl)amino]-9,10-anthraquinone",OCCNc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,OCCNc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,"InChI=1/C16H13NO6/c18-6-5-17-7-1-2-8(19)12-11(7)15(22)13-9(20)3-4-10(21)14(13)16(12)23/h1-4,17-21H,5-6H2",C16H13NO6,,,,,,SCJFFDFUNHMDSE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.218,258-558-8,53446-63-2,2-isopropylindan-1-one,2-isopropylindan-1-one,CC(C)C1Cc2ccccc2C1=O,CC(C)C1Cc2ccccc2C1=O,"InChI=1/C12H14O/c1-8(2)11-7-9-5-3-4-6-10(9)12(11)13/h3-6,8,11H,7H2,1-2H3",C12H14O,,,,,,WBCAKNRIXCUKPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.221,258-561-4,53449-58-4,Ciclonicate,"3,3,5-trimethylcyclohexyl nicotinate",C[C@@H]1C[C@H](CC(C)(C)C1)OC(=O)c2cccnc2,C[C@@H]1C[C@H](CC(C)(C)C1)OC(=O)c2cccnc2,"InChI=1/C15H21NO2/c1-11-7-13(9-15(2,3)8-11)18-14(17)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3",C15H21NO2,,,,,,GQSGZTBDVNUIQS-DGCLKSJQSA-N,,,,,,,,,,,
100.053.225,258-566-1,53459-38-4,Magnesium hydrogen L-2-aminoglutarate hydrobromide,-,[Mg+2].Br.NC(CCC(=O)[O-])C(=O)O,[Mg+2].Br.NC(CCC(=O)[O-])C(=O)O,"InChI=1/C5H9NO4.BrH.Mg/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H;/q;;+2/p-1",C5H9NO4.BrH.Mg,,,,,,IMSNBENJLMCAJL-UHFFFAOYSA-M,,,,,,,,,,,
100.053.226,258-567-7,53460-02-9,"5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid","5-{[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino}-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Oc4ccc(CCCCCCCCC)cc4)n5,Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Oc4ccc(CCCCCCCCC)cc4)n5,"InChI=1/C34H35ClN6O8S2/c1-2-3-4-5-6-7-9-12-22-15-17-25(18-16-22)49-34-38-32(35)37-33(39-34)36-27-21-26(50(43,44)45)19-23-20-28(51(46,47)48)30(31(42)29(23)27)41-40-24-13-10-8-11-14-24/h8,10-11,13-21,42H,2-7,9,12H2,1H3,(H,43,44,45)(H,46,47,48)(H,36,37,38,39)",C34H35ClN6O8S2,,,,,,BUMVIGLKISJXLT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.227,258-568-2,53460-09-6,"1,1'-[[6-(pyridin-4-yl)-1,3,5-triazine-2,4-diyl]diimino]bisanthraquinone","1,1'-[(6-pyridin-4-yl-1,3,5-triazine-2,4-diyl)diimino]di(9,10-anthraquinone)",O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(n4)c8ccncc8)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(n4)c8ccncc8)cccc13,"InChI=1/C36H20N6O4/c43-30-20-7-1-3-9-22(20)32(45)28-24(30)11-5-13-26(28)38-35-40-34(19-15-17-37-18-16-19)41-36(42-35)39-27-14-6-12-25-29(27)33(46)23-10-4-2-8-21(23)31(25)44/h1-18H,(H2,38,39,40,41,42)",C36H20N6O4,,,,,,MSQOPYJFCWPXGX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.228,258-569-8,53460-46-1,"1,3,3-trimethyl-6-azabicyclo[3.2.1]octane","1,3,3-trimethyl-6-azabicyclo[3.2.1]octane",CC1(C)CC2CC(C)(CN2)C1,CC1(C)CC2CC(C)(CN2)C1,"InChI=1/C10H19N/c1-9(2)4-8-5-10(3,6-9)7-11-8/h8,11H,4-7H2,1-3H3",C10H19N,,,,,,FRAKHUZTNLUGPB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.234,258-576-6,53475-15-3,DL-3-(methylthio)butanone,3-(methylsulfanyl)butan-2-one,CSC(C)C(=O)C,CSC(C)C(=O)C,"InChI=1/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3",C5H10OS,,,,,,HFVLNCDRAMUMCC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.235,258-577-1,53478-57-2,"18,18'-[(dibutylstannylene)bis(oxy)]bis[18-oxooctadecan-7-ol]","18,18'-[(dibutylstannanediyl)bis(oxy)]bis(18-oxooctadecan-7-ol)",CCCCCCC(O)CCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCC(O)CCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/2C18H36O3.2C4H9.Sn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;2*1-3-4-2;/h2*17,19H,2-16H2,1H3,(H,20,21);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC44H88O6Sn/c1-5-9-13-27-33-41(45)35-29-23-19-15-17-21-25-31-37-43(47)49-51(39-11-7-3,40-12-8-4)50-44(48)38-32-26-22-18-16-20-24-30-36-42(46)34-28-14-10-6-2/h41-42,45-46H,5-40H2,1-4H3",C44H88O6Sn,,,,,,DETRKNZKHSAVIL-UHFFFAOYSA-L,,,,,,,,,,,
100.053.237,258-579-2,53478-90-3,"10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylammonium chloride","10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-aminium chloride",[Cl-].[NH3+]C1c2ccccc2CCc3ccccc13,[Cl-].[NH3+]C1c2ccccc2CCc3ccccc13,"InChI=1/C15H15N.ClH/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;/h1-8,15H,9-10,16H2;1H",C15H15N.ClH,,,,,,ZGEOIKPMUBKZPU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.241,258-583-4,53488-15-6,[(2-ethylhexyl)oxy]acetaldehyde,[(2-ethylhexyl)oxy]acetaldehyde,CCCCC(CC)COCC=O,CCCCC(CC)COCC=O,"InChI=1/C10H20O2/c1-3-5-6-10(4-2)9-12-8-7-11/h7,10H,3-6,8-9H2,1-2H3",C10H20O2,,,,,,IIBNIMNYBVUIAL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.242,258-585-5,53496-34-7,"3-chlorobutane-1,2-diol","3-chlorobutane-1,2-diol",CC(Cl)C(O)CO,CC(Cl)C(O)CO,"InChI=1/C4H9ClO2/c1-3(5)4(7)2-6/h3-4,6-7H,2H2,1H3",C4H9ClO2,,,,,,CWHYTESDVACLIN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.250,250-891-7,32004-66-3,5-fluoro-2-methyl-1H-indene-3-acetic acid,(5-fluoro-2-methyl-1H-inden-3-yl)acetic acid,CC1=C(CC(=O)O)c2cc(F)ccc2C1,CC1=C(CC(=O)O)c2cc(F)ccc2C1,"InChI=1/C12H11FO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)",C12H11FO2,,,,,,QDDPPRDVFIJASZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.891,254-899-1,40386-51-4,"Disodium 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate)","disodium 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonate",[Na+].[Na+].Cc1cc(c2ccc(cc2)S(=O)(=O)[O-])c3ccc4c(cc(C)nc4c3n1)c5ccc(cc5)S(=O)(=O)[O-],[Na+].[Na+].Cc1cc(c2ccc(cc2)S(=O)(=O)[O-])c3ccc4c(cc(C)nc4c3n1)c5ccc(cc5)S(=O)(=O)[O-],"InChI=1/C26H20N2O6S2.2Na/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C26H20N2O6S2.2Na,,,,,,CNUVEAGSJLUJCX-UHFFFAOYSA-L,,,,,,,,,,,
100.049.892,254-900-5,40390-09-8,Hexyl (4-chloro-2-methylphenoxy)acetate,hexyl (4-chloro-2-methylphenoxy)acetate,CCCCCCOC(=O)COc1ccc(Cl)cc1C,CCCCCCOC(=O)COc1ccc(Cl)cc1C,"InChI=1/C15H21ClO3/c1-3-4-5-6-9-18-15(17)11-19-14-8-7-13(16)10-12(14)2/h7-8,10H,3-6,9,11H2,1-2H3",C15H21ClO3,,,,,,KQABIXXIKXNUDW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.532,254-504-2,39555-40-3,3-[[2-(4-pyridyl)ethyl]thio]-DL-valine,3-[(2-pyridin-4-ylethyl)sulfanyl]-L-valine,CC(C)(SCCc1ccncc1)[C@H](N)C(=O)O,CC(C)(SCCc1ccncc1)[C@H](N)C(=O)O,"InChI=1/C12H18N2O2S/c1-12(2,10(13)11(15)16)17-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,5,8,13H2,1-2H3,(H,15,16)",C12H18N2O2S,,,,,,FTTQQYAWBJGECY-SNVBAGLBSA-N,,,,,,,,,,,
100.049.534,254-506-3,39556-41-7,2-hydroxypropyl hexanoate,2-hydroxypropyl hexanoate,CCCCCC(=O)OCC(C)O,CCCCCC(=O)OCC(C)O,"InChI=1/C9H18O3/c1-3-4-5-6-9(11)12-7-8(2)10/h8,10H,3-7H2,1-2H3",C9H18O3,,,,,,MBOLLKIPKUVPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.536,254-508-4,39560-34-4,3-(2-hydroxybenzoyl)propionic acid,4-(2-hydroxyphenyl)-4-oxobutanoic acid,OC(=O)CCC(=O)c1ccccc1O,OC(=O)CCC(=O)c1ccccc1O,"InChI=1/C10H10O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,11H,5-6H2,(H,13,14)",C10H10O4,,,,,,QBQVEOIVSWQRDU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.544,254-517-3,39568-89-3,"2,4,5,6-tetrachloro-m-xylene-a,a'-diol","(2,4,5,6-tetrachloro-1,3-phenylene)dimethanol",OCc1c(Cl)c(Cl)c(Cl)c(CO)c1Cl,OCc1c(Cl)c(Cl)c(Cl)c(CO)c1Cl,"InChI=1/C8H6Cl4O2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/h13-14H,1-2H2",C8H6Cl4O2,,,,,,JYLBVCKNJDTYGB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.552,254-526-2,39572-17-3,1-[4-(1H-benzimidazol-2-ylthio)phenyl]ethan-1-one,1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]ethanone,CC(=O)c1ccc(Sc2nc3ccccc3[nH]2)cc1,CC(=O)c1ccc(Sc2nc3ccccc3[nH]2)cc1,"InChI=1/C15H12N2OS/c1-10(18)11-6-8-12(9-7-11)19-15-16-13-4-2-3-5-14(13)17-15/h2-9H,1H3,(H,16,17)",C15H12N2OS,,,,,,JVRNMSKCMXSFDP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.562,254-537-2,39599-05-8,"(3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14-hydroxy-5,19-[isopropylidenebis(oxy)]card-20(22)-enolide","14-hydroxy-13,20,20-trimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)tetradecahydro-6H-5,10-(epoxymethanooxymethano)cyclopenta[a]phenanthren-3-yl 2,6-dideoxyhexopyranoside",CC1OC(CC(O)C1O)OC2CCC34COC(C)(C)OC3(CCC5C4CCC6(C)C(CCC56O)C7=CC(=O)OC7)C2,CC1OC(CC(O)C1O)OC2CCC34COC(C)(C)OC3(CCC5C4CCC6(C)C(CCC56O)C7=CC(=O)OC7)C2,"InChI=1/C32H48O9/c1-18-27(35)24(33)14-26(39-18)40-20-5-10-30-17-38-28(2,3)41-31(30,15-20)11-7-23-22(30)6-9-29(4)21(8-12-32(23,29)36)19-13-25(34)37-16-19/h13,18,20-24,26-27,33,35-36H,5-12,14-17H2,1-4H3",C32H48O9,,,,,,MNWYUTSRDLJKPG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.569,254-545-6,39617-08-8,Sodium 2-phenoxyisobutyrate,sodium 2-methyl-2-phenoxypropanoate,[Na+].CC(C)(Oc1ccccc1)C(=O)[O-],[Na+].CC(C)(Oc1ccccc1)C(=O)[O-],"InChI=1/C10H12O3.Na/c1-10(2,9(11)12)13-8-6-4-3-5-7-8;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1",C10H12O3.Na,,,,,,HGCUZGSFLPWWFT-UHFFFAOYSA-M,,,,,,,,,,,
100.049.571,254-547-7,39627-84-4,2-naphthohydrazide,2-naphthohydrazide,NNC(=O)c1ccc2ccccc2c1,NNC(=O)c1ccc2ccccc2c1,"InChI=1/C11H10N2O/c12-13-11(14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,12H2,(H,13,14)",C11H10N2O,,,,,,RARLPRMZJNIQGU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.003,259-423-6,54982-83-1,"1,4-dioxacyclohexadecane-5,16-dione","1,4-dioxacyclohexadecane-5,16-dione",O=C1CCCCCCCCCCC(=O)OCCO1,O=C1CCCCCCCCCCC(=O)OCCO1,InChI=1/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2,C14H24O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2219,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.003,GJJSUPSPZIZYPM-UHFFFAOYSA-N,,,,,,,,,,,
100.054.020,259-441-4,55034-13-4,"1,4-dimethoxy-6-nitro-2-(p-tolylthio)benzene","2,5-dimethoxy-1-[(4-methylphenyl)sulfanyl]-3-nitrobenzene",COc1cc(Sc2ccc(C)cc2)c(OC)c(c1)[N+](=O)[O-],COc1cc(Sc2ccc(C)cc2)c(OC)c(c1)[N+](=O)[O-],"InChI=1/C15H15NO4S/c1-10-4-6-12(7-5-10)21-14-9-11(19-2)8-13(16(17)18)15(14)20-3/h4-9H,1-3H3",C15H15NO4S,,,,,,ZLKCKSPGDUFNEI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.025,259-447-7,55036-36-7,"2,2'-thiobis[3,6-dicyclopentyl-p-cresol]","2,2'-sulfanediylbis(3,6-dicyclopentyl-4-methylphenol)",Cc1cc(C2CCCC2)c(O)c(Sc3c(O)c(cc(C)c3C4CCCC4)C5CCCC5)c1C6CCCC6,Cc1cc(C2CCCC2)c(O)c(Sc3c(O)c(cc(C)c3C4CCCC4)C5CCCC5)c1C6CCCC6,"InChI=1/C34H46O2S/c1-21-19-27(23-11-3-4-12-23)31(35)33(29(21)25-15-7-8-16-25)37-34-30(26-17-9-10-18-26)22(2)20-28(32(34)36)24-13-5-6-14-24/h19-20,23-26,35-36H,3-18H2,1-2H3",C34H46O2S,,,,,,WFOYLYVWPLFHKX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.027,259-449-8,55036-38-9,"2,2'-methylenebis[3,6-dicyclopentyl-p-cresol]","2,2'-methylenebis(3,6-dicyclopentyl-4-methylphenol)",Cc1cc(C2CCCC2)c(O)c(Cc3c(O)c(cc(C)c3C4CCCC4)C5CCCC5)c1C6CCCC6,Cc1cc(C2CCCC2)c(O)c(Cc3c(O)c(cc(C)c3C4CCCC4)C5CCCC5)c1C6CCCC6,"InChI=1/C35H48O2/c1-22-19-28(24-11-3-4-12-24)34(36)30(32(22)26-15-7-8-16-26)21-31-33(27-17-9-10-18-27)23(2)20-29(35(31)37)25-13-5-6-14-25/h19-20,24-27,36-37H,3-18,21H2,1-2H3",C35H48O2,,,,,,XDKDANDIFRAGPG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.760,280-059-9,82898-51-9,2-isopropyl-5-methylhex-4-en-1-ol,2-isopropyl-5-methylhex-4-en-1-ol,CC(C)C(CO)CC=C(C)C,CC(C)C(CO)CC=C(C)C,"InChI=1/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h5,9-11H,6-7H2,1-4H3",C10H20O,,,,,,VPDSPOWDCKVMDL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.765,280-065-1,82922-44-9,"N-[1-oxo-2-[(3,4,5-trimethoxybenzoyl)thio]propyl]glycine","N-{2-[(3,4,5-trimethoxybenzoyl)sulfanyl]propanoyl}glycine",COc1cc(cc(OC)c1OC)C(=O)SC(C)C(=O)NCC(=O)O,COc1cc(cc(OC)c1OC)C(=O)SC(C)C(=O)NCC(=O)O,"InChI=1/C15H19NO7S/c1-8(14(19)16-7-12(17)18)24-15(20)9-5-10(21-2)13(23-4)11(6-9)22-3/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18)",C15H19NO7S,,,,,,IJOXGJOZIPBDDG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.133,277-169-4,72984-36-2,"Trisodium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionate","trisodium 3-(2-carboxylatoethyl)-5-(carboxylatomethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2H,3H-porphine-7-carboxylate",[Na+].[Na+].[Na+].CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-],[Na+].[Na+].[Na+].CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-],"InChI=1/C34H34N4O6.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;/q;3*+1/p-3",C34H36N4O6.3Na,,,,,,SRFCMNVHRLQFQH-HDCLIJNVSA-K,,,,,,,,,,,
100.070.138,277-175-7,72986-46-0,"2,2'-oxydipropan-2-ol","2,2'-oxydipropan-2-ol",CC(C)(O)OC(C)(C)O,CC(C)(O)OC(C)(C)O,"InChI=1/C6H14O3/c1-5(2,7)9-6(3,4)8/h7-8H,1-4H3",C6H14O3,,,,,,PRHCBRXAHBBRKA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.145,277-183-0,72987-36-1,"6,6'-(1-ethylethylene)bis(1,3,5-triazine-2,4-diamine)","6,6'-butane-1,2-diylbis(1,3,5-triazine-2,4-diamine)",CCC(Cc1nc(N)nc(N)n1)c2nc(N)nc(N)n2,CCC(Cc1nc(N)nc(N)n1)c2nc(N)nc(N)n2,"InChI=1/C10H16N10/c1-2-4(6-17-9(13)20-10(14)18-6)3-5-15-7(11)19-8(12)16-5/h4H,2-3H2,1H3,(H4,11,12,15,16,19)(H4,13,14,17,18,20)",C10H16N10,,,,,,VCRJKOQZRVOZDA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.146,277-184-6,72987-42-9,"2,2'-[3-methyl-4-(5-nitrothiazol-2-ylazo)phenylimino]bisethanol","2,2'-({3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}imino)diethanol",OCCN(CCO)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,OCCN(CCO)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,"InChI=1/C14H17N5O4S/c1-10-8-11(18(4-6-20)5-7-21)2-3-12(10)16-17-14-15-9-13(24-14)19(22)23/h2-3,8-9,20-21H,4-7H2,1H3",C14H17N5O4S,,,,,,ZRFKBPGAGIGQON-UHFFFAOYSA-N,,,,,,,,,,,
100.070.147,277-185-1,72987-46-3,4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]-3-sulpho-2-naphthyl]azo]benzoic acid,4-{[1-hydroxy-6-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfo-2-naphthyl]carbamoyl}amino)-3-sulfo-2-naphthyl]diazenyl}benzoic acid,OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C(O)=O)c6O)S(O)(=O)=O,OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C(O)=O)c6O)S(O)(=O)=O,"InChI=1/C34H24N6O11S2/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51)",C34H24N6O11S2,,,,,,VJHZFJOJOFPVJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.149,277-187-2,72987-57-6,Isopropyl 3-(2-furyl)acrylate,isopropyl 3-(2-furyl)acrylate,CC(C)OC(=O)\\C=C\\c1occc1,CC(C)OC(=O)\C=C\c1occc1,"InChI=1/C10H12O3/c1-8(2)13-10(11)6-5-9-4-3-7-12-9/h3-8H,1-2H3",C10H12O3,,,,,,ASFDSPFXJFSSEX-AATRIKPKSA-N,,,,,,,,,,,
100.070.162,277-201-7,73003-73-3,"Tridecyl hydrogen sulphate, compound with 2-aminoethanol (1:1)",tridecyl hydrogen sulfate - 2-aminoethanol (1:1),CCCCCCCCCCCCCOS(=O)(=O)O.NCCO,CCCCCCCCCCCCCOS(=O)(=O)O.NCCO,"InChI=1/C13H28O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;3-1-2-4/h2-13H2,1H3,(H,14,15,16);4H,1-3H2",C13H28O4S.C2H7NO,,,,,,VXHSSOYVFYWQPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.167,277-206-4,73003-81-3,"Ethyl 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]benzoate","ethyl 3,4,5-tris{[(6-diazo-5-oxo-5,6-dihydronaphthalen-1-yl)sulfonyl]oxy}benzoate",CCOC(=O)c1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c(OS(=O)(=O)c6cccc7C(=O)C(=[N+]=[N-])C=Cc67)c1,CCOC(=O)c1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c(OS(=O)(=O)c6cccc7C(=O)C(=[N+]=[N-])C=Cc67)c1,"InChI=1/C39H22N6O14S3/c1-2-56-39(49)20-18-30(57-60(50,51)32-9-3-6-24-21(32)12-15-27(43-40)35(24)46)38(59-62(54,55)34-11-5-8-26-23(34)14-17-29(45-42)37(26)48)31(19-20)58-61(52,53)33-10-4-7-25-22(33)13-16-28(44-41)36(25)47/h3-19H,2H2,1H3",C39H22N6O14S3,,,,,,HLAAGTOTKUVPJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.878,277-989-2,74758-93-3,(methylthio)methyl butyrate,(methylsulfanyl)methyl butyrate,CCCC(=O)OCSC,CCCC(=O)OCSC,"InChI=1/C6H12O2S/c1-3-4-6(7)8-5-9-2/h3-5H2,1-2H3",C6H12O2S,,,,,,PGAUNUCMBMQPFT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.884,277-996-0,74787-52-3,"Decahydro-5-methyl-1,4-methanonaphthalen-5-yl acetate","5-methyldecahydro-1,4-methanonaphthalen-5-yl acetate",CC(=O)OC1(C)CCCC2C3CCC(C3)C12,CC(=O)OC1(C)CCCC2C3CCC(C3)C12,"InChI=1/C14H22O2/c1-9(15)16-14(2)7-3-4-12-10-5-6-11(8-10)13(12)14/h10-13H,3-8H2,1-2H3",C14H22O2,,,,,,XHRRTMOBTBCZJG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.705,277-798-4,74276-38-3,"4-[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]-<U+03B3>-[4-[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]phenyl]-<U+03B3>-methylbenzenebutyric acid","4,4-bis(4-{[(6-diazo-5-oxo-5,6-dihydronaphthalen-1-yl)sulfonyl]oxy}phenyl)pentanoic acid",CC(CCC(=O)O)(c1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1)c4ccc(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)cc4,CC(CCC(=O)O)(c1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1)c4ccc(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)cc4,"InChI=1/C37H26N4O10S2/c1-37(21-20-34(42)43,22-8-12-24(13-9-22)50-52(46,47)32-6-2-4-28-26(32)16-18-30(40-38)35(28)44)23-10-14-25(15-11-23)51-53(48,49)33-7-3-5-29-27(33)17-19-31(41-39)36(29)45/h2-19H,20-21H2,1H3,(H,42,43)",C37H26N4O10S2,,,,,,ORIVCUYFVCUEBW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.709,277-804-5,74298-63-8,Chlormidazole hydrochloride,1-(4-chlorobenzyl)-2-methyl-1H-benzimidazole hydrochloride,Cl.Cc1nc2ccccc2n1Cc3ccc(Cl)cc3,Cl.Cc1nc2ccccc2n1Cc3ccc(Cl)cc3,"InChI=1/C15H13ClN2.ClH/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12;/h2-9H,10H2,1H3;1H",C15H13ClN2.ClH,,,,,,MHMTXDMLQZHXRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.712,277-807-1,74298-73-0,Benperidol hydrochloride,"1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one hydrochloride",Cl.Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34,Cl.Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34,"InChI=1/C22H24FN3O2.ClH/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28;/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28);1H",C22H24FN3O2.xClH,,,,,,IHYBCZWYTSHJHF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.721,277-817-6,74319-87-2,Sodium 4-amino-o-xylene-5-sulphonate,"sodium 2-amino-4,5-dimethylbenzenesulfonate",[Na+].Cc1cc(N)c(cc1C)S(=O)(=O)[O-],[Na+].Cc1cc(N)c(cc1C)S(=O)(=O)[O-],"InChI=1/C8H11NO3S.Na/c1-5-3-7(9)8(4-6(5)2)13(10,11)12;/h3-4H,9H2,1-2H3,(H,10,11,12);/q;+1/p-1",C8H11NO3S.Na,,,,,,AVDSLMKFVMYSHK-UHFFFAOYSA-M,,,,,,,,,,,
100.070.729,277-826-5,74340-57-1,"4-[[3-[[(3-carboxy-1-oxoallyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]-4-oxo-2-butenoic acid","4-[(3-{[(3-carboxyacryloyl)amino]methyl}-3,5,5-trimethylcyclohexyl)amino]-4-oxobut-2-enoic acid",OC(=O)C=CC(=O)NC1CC(C)(CNC(=O)/C=C/C(O)=O)CC(C)(C)C1,OC(=O)C=CC(=O)NC1CC(C)(CNC(=O)/C=C/C(O)=O)CC(C)(C)C1,"InChI=1/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)",C18H26N2O6,,,,,,OSMXVZQQWFMTPK-NNUXYFOWSA-N,,,,,,,,,,,
100.070.731,277-828-6,74347-14-1,"2-hydroxy-3,6-dimethylbenzyldimethylammonium chloride","(2-hydroxy-3,6-dimethylphenyl)-N,N-dimethylmethanaminium chloride",[Cl-].C[NH+](C)Cc1c(C)ccc(C)c1O,[Cl-].C[NH+](C)Cc1c(C)ccc(C)c1O,"InChI=1/C11H17NO.ClH/c1-8-5-6-9(2)11(13)10(8)7-12(3)4;/h5-6,13H,7H2,1-4H3;1H",C11H17NO.ClH,,,,,,XOASBOPLRSKHRO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.736,277-833-3,74347-32-3,Magnesium di(D-glycero-D-gulo-heptonate),"magnesium bis(2,3,4,5,6,7-hexahydroxyheptanoate) (non-preferred name)",[Mg+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-],[Mg+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-],"InChI=1/2C7H14O8.Mg/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2",C7H14O8.1/2Mg,,,,,,MMSNUIOBUPTENW-XBQZYUPDSA-L,,,,,,,,,,,
100.070.746,277-844-3,74367-97-8,"Ethyl 2,3-epoxy-3-p-tolylbutyrate",ethyl 3-methyl-3-(4-methylphenyl)oxirane-2-carboxylate,CCOC(=O)C1OC1(C)c2ccc(C)cc2,CCOC(=O)C1OC1(C)c2ccc(C)cc2,"InChI=1/C13H16O3/c1-4-15-12(14)11-13(3,16-11)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3",C13H16O3,,,,,,RJQNJKOCFCXTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.774,255-871-1,42529-03-3,"4-(2-acetoxyacetyl)-1,2-phenylene diacetate","4-(acetoxyacetyl)-1,2-phenylene diacetate",CC(=O)OCC(=O)c1ccc(OC(=O)C)c(OC(=O)C)c1,CC(=O)OCC(=O)c1ccc(OC(=O)C)c(OC(=O)C)c1,"InChI=1/C14H14O7/c1-8(15)19-7-12(18)11-4-5-13(20-9(2)16)14(6-11)21-10(3)17/h4-6H,7H2,1-3H3",C14H14O7,,,,,,VDJDMWLIQCSQON-UHFFFAOYSA-N,,,,,,,,,,,
100.050.779,255-876-9,42538-01-2,N-[N-[(benzyloxy)carbonyl]-L-isoleucyl]-L-isoleucine,N-[(benzyloxy)carbonyl]-L-isoleucyl-L-isoleucine,CCC(C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)CC)C(=O)O,CCC(C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)CC)C(=O)O,"InChI=1/C20H30N2O5/c1-5-13(3)16(18(23)21-17(19(24)25)14(4)6-2)22-20(26)27-12-15-10-8-7-9-11-15/h7-11,13-14,16-17H,5-6,12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)",C20H30N2O5,,,,,,QJJULDSUCQXEDB-LCSXWQTCSA-N,,,,,,,,,,,
100.050.780,255-877-4,42540-40-9,"Sodium [6R-[6a,7ß(R*)]]-7-[[(formyloxy)phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",sodium 7-{[(formyloxy)(phenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](OC=O)c4ccccc4)C3=O)C(=O)[O-],[Na+].Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](OC=O)c4ccccc4)C3=O)C(=O)[O-],"InChI=1/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1",C19H18N6O6S2.Na,,,,,,ICZOIXFFVKYXOM-YCLOEFEOSA-M,,,,,,,,,,,
100.050.789,255-887-9,42567-04-4,Bis[(3-ethyl-3-oxetanyl)methyl](phenyl)phosphine,bis[(3-ethyloxetan-3-yl)methyl](phenyl)phosphine,CCC1(CP(CC2(CC)COC2)c3ccccc3)COC1,CCC1(CP(CC2(CC)COC2)c3ccccc3)COC1,"InChI=1/C18H27O2P/c1-3-17(10-19-11-17)14-21(16-8-6-5-7-9-16)15-18(4-2)12-20-13-18/h5-9H,3-4,10-15H2,1-2H3",C18H27O5P,,,,,,SMRWYOMOBYFKAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.255,250-896-4,32014-19-0,"Lithium 4-(2,3-dihydroxypropoxy)benzenesulphonate","lithium 4-(2,3-dihydroxypropoxy)benzenesulfonate",[Li+].OCC(O)COc1ccc(cc1)S(=O)(=O)[O-],[Li+].OCC(O)COc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C9H12O6S.Li/c10-5-7(11)6-15-8-1-3-9(4-2-8)16(12,13)14;/h1-4,7,10-11H,5-6H2,(H,12,13,14);/q;+1/p-1",C9H12O6S.Li,,,,,,CEFAXJFSLXZVJN-UHFFFAOYSA-M,,,,,,,,,,,
100.072.751,280-049-4,82829-68-3,"N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-2-(methylthio)acetamide","2-(methylsulfanyl)-N-[3-(5-thioxo-2,5-dihydro-1H-tetrazol-1-yl)phenyl]acetamide",CSCC(=O)Nc1cccc(c1)N2NN=NC2=S,CSCC(=O)Nc1cccc(c1)N2NN=NC2=S,"InChI=1/C10H11N5OS2/c1-18-6-9(16)11-7-3-2-4-8(5-7)15-10(17)12-13-14-15/h2-5H,6H2,1H3,(H,11,16)(H,12,14,17)",C10H11N5OS2,,,,,,VCRZEYYYXXERGF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.759,280-058-3,82895-28-1,3-propenylveratrole,"1,2-dimethoxy-3-prop-1-en-1-ylbenzene",COc1cccc(C=CC)c1OC,COc1cccc(C=CC)c1OC,"InChI=1/C11H14O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h4-8H,1-3H3",C11H14O2,,,,,,FVUIKLBBHVVLFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.763,280-063-0,82919-39-9,"3-hydroxytoluene-2,4,6-trisulphonic acid","2-hydroxy-4-methylbenzene-1,3,5-trisulfonic acid",Cc1c(cc(c(O)c1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,Cc1c(cc(c(O)c1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C7H8O10S3/c1-3-4(18(9,10)11)2-5(19(12,13)14)6(8)7(3)20(15,16)17/h2,8H,1H3,(H,9,10,11)(H,12,13,14)(H,15,16,17)",C7H8O10S3,,,,,,XUXZPDVMOQZNLO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.764,280-064-6,82921-86-6,"3,8-dinitro-6-phenylphenanthridine","3,8-dinitro-6-phenylphenanthridine",[O-][N+](=O)c1ccc2c(c1)nc(c3ccccc3)c4cc(ccc24)[N+](=O)[O-],[O-][N+](=O)c1ccc2c(c1)nc(c3ccccc3)c4cc(ccc24)[N+](=O)[O-],InChI=1/C19H11N3O4/c23-21(24)13-6-8-15-16-9-7-14(22(25)26)11-18(16)20-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H,C19H11N3O4,,,,,,FCDIEAMONAJOJE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.774,280-075-6,82962-18-3,"1,3-dioxolane-2-propionaldehyde","3-(1,3-dioxolan-2-yl)propanal",O=CCCC1OCCO1,O=CCCC1OCCO1,"InChI=1/C6H10O3/c7-3-1-2-6-8-4-5-9-6/h3,6H,1-2,4-5H2",C6H10O3,,,,,,XFMMMZDHPNOERJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.776,280-077-7,82971-11-7,Furan-2-sulphonic acid,furan-2-sulfonic acid,OS(=O)(=O)c1occc1,OS(=O)(=O)c1occc1,"InChI=1/C4H4O4S/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H,5,6,7)",C4H4O4S,,,,,,OKSYMZKKVJYKKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.135,277-172-0,72984-92-0,"1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium chloride","1,3,3-trimethyl-2-{methyl[4-(phenyldiazenyl)phenyl]carbonohydrazonoyl}-3H-indolium chloride",[Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,[Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,"InChI=1/C25H26N5.ClH/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;/h5-18H,1-4H3;1H/q+1;/p-1",C25H26N5.Cl,,,,,,VFWIORFZDNFZID-UHFFFAOYSA-M,,,,,,,,,,,
100.070.139,277-176-2,72986-60-8,Disodium 5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]-8-[[4-[(phenylsulphonyl)oxy]phenyl]azo]naphthalene-2-sulphonate,disodium 5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)-8-({4-[(phenylsulfonyl)oxy]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc5ccc(N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccc(cc45)S([O-])(=O)=O)c6ccccc6,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc5ccc(N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccc(cc45)S([O-])(=O)=O)c6ccccc6,"InChI=1/C34H24N6O11S3.2Na/c41-40(42)25-12-17-33(34(20-25)53(46,47)48)35-22-6-8-23(9-7-22)36-38-31-18-19-32(30-21-28(52(43,44)45)15-16-29(30)31)39-37-24-10-13-26(14-11-24)51-54(49,50)27-4-2-1-3-5-27;;/h1-21,35H,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C34H24N6O11S3.2Na,,,,,,AIFUCUFOMJAMEJ-UHFFFAOYSA-L,,,,,,,,,,,
100.070.140,277-177-8,72986-61-9,Disodium 8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]-5-[[4-[(phenylsulphonyl)oxy]phenyl]azo]naphthalene-2-sulphonate,disodium 8-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)-5-({4-[(phenylsulfonyl)oxy]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc5ccc(N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4cc(ccc45)S([O-])(=O)=O)c6ccccc6,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc5ccc(N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4cc(ccc45)S([O-])(=O)=O)c6ccccc6,"InChI=1/C34H24N6O11S3.2Na/c41-40(42)25-12-17-33(34(20-25)53(46,47)48)35-22-6-8-23(9-7-22)36-39-32-19-18-31(29-16-15-28(21-30(29)32)52(43,44)45)38-37-24-10-13-26(14-11-24)51-54(49,50)27-4-2-1-3-5-27;;/h1-21,35H,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C34H24N6O11S3.2Na,,,,,,KSZNUSASVDLFBT-UHFFFAOYSA-L,,,,,,,,,,,
100.070.143,277-180-4,72987-21-4,"Pentasodium 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulphonato-6-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]-2-naphthyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-2,7-disulphonate","pentasodium 4-hydroxy-5-{[4-({[5-hydroxy-7-sulfonato-6-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-2-naphthyl]carbamoyl}amino)-5-methoxy-2-methylphenyl]diazenyl}naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].COc7cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc7NC(=O)Nc5cc6cc(c(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O)c(O)c6cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].COc7cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc7NC(=O)Nc5cc6cc(c(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O)c(O)c6cc5)S([O-])(=O)=O,"InChI=1/C41H32N8O19S5.5Na/c1-20-11-32(35(68-2)19-31(20)47-48-33-17-27(70(56,57)58)13-22-14-28(71(59,60)61)18-34(50)38(22)33)43-41(52)42-24-5-9-29-21(12-24)15-37(73(65,66)67)39(40(29)51)49-46-30-10-6-25(16-36(30)72(62,63)64)45-44-23-3-7-26(8-4-23)69(53,54)55;;;;;/h3-19,50-51H,1-2H3,(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;/q;5*+1/p-5",C41H32N8O19S5.5Na,,,,,,BRZMATKZKCMEPJ-UHFFFAOYSA-I,,,,,,,,,,,
100.054.037,259-460-8,55066-45-0,3-methyl-5-phenylpent-1-en-3-ol,3-methyl-5-phenylpent-1-en-3-ol,CC(O)(CCc1ccccc1)C=C,CC(O)(CCc1ccccc1)C=C,"InChI=1/C12H16O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h3-8,13H,1,9-10H2,2H3",C12H16O,,,,,,UWRYPWSHHZVMHR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.038,259-461-3,55066-48-3,3-methyl-5-phenylpentanol,3-methyl-5-phenylpentan-1-ol,CC(CCO)CCc1ccccc1,CC(CCO)CCc1ccccc1,"InChI=1/C12H18O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3",C12H18O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13902,https://echa.europa.eu/substance-information/-/substanceinfo/100.054.038,OXYRENDGHPGWKV-UHFFFAOYSA-N,,,,,,,,,,,
100.054.039,259-462-9,55066-53-0,Ethyl (R)-12-hydroxyoleate,ethyl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCC,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC,"InChI=1/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h11,14,19,21H,3-10,12-13,15-18H2,1-2H3",C20H38O3,,,,,,AZXVZUBIFYQWJK-KWRJMZDGSA-N,,,,,,,,,,,
100.052.708,257-998-8,52548-96-6,2-phenylthio-5-trifluoromethylbenzoic acid,2-(phenylsulfanyl)-5-(trifluoromethyl)benzoic acid,OC(=O)c1cc(ccc1Sc2ccccc2)C(F)(F)F,OC(=O)c1cc(ccc1Sc2ccccc2)C(F)(F)F,"InChI=1/C14H9F3O2S/c15-14(16,17)9-6-7-12(11(8-9)13(18)19)20-10-4-2-1-3-5-10/h1-8H,(H,18,19)",C14H9F3O2S,,,,,,QTOLCTUWRPDFOF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.715,258-006-6,52557-98-9,"3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid","3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid",CC1(C)C2CCC(C2)C1C(=O)O,CC1(C)C2CCC(C2)C1C(=O)O,"InChI=1/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)",C10H16O2,,,,,,KJKODDSNIDHCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.718,258-009-2,52562-28-4,Dimethyl[3-[(1-oxododecyl)amino]propyl][3-sulphopropyl]ammonium hydroxide,"3-(dodecanoylamino)-N,N-dimethyl-N-(3-sulfopropyl)propan-1-aminium hydroxide",[OH-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O,[OH-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O,"InChI=1/C20H42N2O4S.H2O/c1-4-5-6-7-8-9-10-11-12-15-20(23)21-16-13-17-22(2,3)18-14-19-27(24,25)26;/h4-19H2,1-3H3,(H-,21,23,24,25,26);1H2",C20H42N2O4S,,,,,,AGNFIQXXAJFIDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.727,258-019-7,52583-53-6,"N-[2-[(2,6-dibromo-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide","N-{2-[(2,6-dibromo-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide",Brc2cc(cc(Br)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,Brc2cc(cc(Br)c2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,"InChI=1/C18H19Br2N5O3/c1-4-24(5-2)12-6-7-16(17(10-12)21-11(3)26)22-23-18-14(19)8-13(25(27)28)9-15(18)20/h6-10H,4-5H2,1-3H3,(H,21,26)",C18H19Br2N5O3,,,,,,IXGHTHFLINQRFX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.731,258-023-9,52584-39-1,"5-ethyl-5,4'-tolylbarbituric acid","5-ethyl-5-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(C(=O)NC(=O)NC1=O)c2ccc(C)cc2,CCC1(C(=O)NC(=O)NC1=O)c2ccc(C)cc2,"InChI=1/C13H14N2O3/c1-3-13(9-6-4-8(2)5-7-9)10(16)14-12(18)15-11(13)17/h4-7H,3H2,1-2H3,(H2,14,15,16,17,18)",C13H14N2O3,,,,,,ZYJDWGKPBQDCBX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.732,258-024-4,52584-45-9,"Sodium 4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]benzenesulphonate","sodium 4-{[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-en-1-yl]oxy}benzenesulfonate",[Na+].FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S([O-])(=O)=O)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,[Na+].FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S([O-])(=O)=O)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C16H5F19O4S.Na/c17-10(18,19)7(8(11(20,21)22)39-5-1-3-6(4-2-5)40(36,37)38)9(14(27,28)29,12(23,24)15(30,31)32)13(25,26)16(33,34)35;/h1-4H,(H,36,37,38);/q;+1/p-1",C16H5F19O4S.Na,,,,,,YRGZRQQDHPUQBE-UHFFFAOYSA-M,,,,,,,,,,,
100.052.737,258-030-7,52593-56-3,"2,5-dimethoxy-4-morpholinobenzenediazonium tetrachlorozincate (2:1)","bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium) tetrachlorozincate(2-)",COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.COc3cc(N4CCOCC4)c(OC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.COc3cc(N4CCOCC4)c(OC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C12H16N3O3.4ClH.Zn/c2*1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;;;;;/h2*7-8H,3-6H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C12H16N3O3.Cl4Zn/c2*1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;1-5(2,3)4/h2*7-8H,3-6H2,1-2H3;/q2*+1;-2",C12H16N3O3.1/2Cl4Zn,,,,,,JJWMNEYXBFVLAP-UHFFFAOYSA-J,,,,,,,,,,,
100.052.739,258-032-8,52598-24-0,2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl dihydrogen phosphate,2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethyl dihydrogen phosphate,CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)O,CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)O,"InChI=1/C18H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21/h2-18H2,1H3,(H2,19,20,21)",C18H39O7P,,,,,,JQAGDVDTMKMJIR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.747,258-041-7,52609-46-8,Lead methacrylate,lead(4+) tetrakis(2-methylacrylate),[Pb].CC(=C)C(O)=O,[Pb].CC(=C)C(O)=O,"InChI=1/C4H6O2.Pb.2H/c1-3(2)4(5)6;;;/h1H2,2H3,(H,5,6);;;/q;+4;;/rC4H6O2.H2Pb/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);1H2/q;+4",C4H6O2.xPb,,,,,,YBKWFQNMOCNHCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.900,254-908-9,40411-76-5,"N-(2,6-dinitrophenyl)-2,4-dinitroaniline","N-(2,6-dinitrophenyl)-2,4-dinitroaniline",[O-][N+](=O)c1ccc(Nc2c(cccc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Nc2c(cccc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C12H7N5O8/c18-14(19)7-4-5-8(11(6-7)17(24)25)13-12-9(15(20)21)2-1-3-10(12)16(22)23/h1-6,13H",C12H7N5O8,,,,,,FQJQUPMBCPEBJW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.887,277-999-7,74800-45-6,"4-(5-heptyl-1,3-dioxan-2-yl)benzonitrile","4-(5-heptyl-1,3-dioxan-2-yl)benzonitrile",CCCCCCCC1COC(OC1)c2ccc(cc2)C#N,CCCCCCCC1COC(OC1)c2ccc(cc2)C#N,"InChI=1/C18H25NO2/c1-2-3-4-5-6-7-16-13-20-18(21-14-16)17-10-8-15(12-19)9-11-17/h8-11,16,18H,2-7,13-14H2,1H3",C18H25NO2,,,,,,HJTXWRYYUUFEPX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.890,278-002-8,74802-30-5,Ethyl N2-acetyl-L-argininate monohydrochloride,ethyl N~2~-acetyl-L-argininate hydrochloride,Cl.CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)C,Cl.CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)C,"InChI=1/C10H20N4O3.ClH/c1-3-17-9(16)8(14-7(2)15)5-4-6-13-10(11)12;/h8H,3-6H2,1-2H3,(H,14,15)(H4,11,12,13);1H",C10H20N4O3.ClH,,,,,,WLGRWHIZSQXDMC-QRPNPIFTSA-N,,,,,,,,,,,
100.070.892,278-004-9,74839-42-2,5-[(3-methoxypropyl)amino]-8-[(2-methyl-4-nitrophenyl)azo]-1-naphthol,5-[(3-methoxypropyl)amino]-8-[(2-methyl-4-nitrophenyl)diazenyl]-1-naphthol,[O-][N+](=O)c3ccc(N=Nc1ccc(NCCCOC)c2cccc(O)c12)c(C)c3,[O-][N+](=O)c3ccc(N=Nc1ccc(NCCCOC)c2cccc(O)c12)c(C)c3,"InChI=1/C21H22N4O4/c1-14-13-15(25(27)28)7-8-17(14)23-24-19-10-9-18(22-11-4-12-29-2)16-5-3-6-20(26)21(16)19/h3,5-10,13,22,26H,4,11-12H2,1-2H3",C21H22N4O4,,,,,,WLOUFSLGZBXYCS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.902,278-015-9,74878-56-1,1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl]-1H-benzimidazolium chloride,"1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)-2-furyl]-2,3-dihydro-1H-3,1-benzimidazol-1-ium chloride",[Cl-].CCOC(=O)C[NH+]1C(N(C)c2ccccc12)c3oc(cc3)c4ccn(n4)c5ccccc5,[Cl-].CCOC(=O)C[NH+]1C(N(C)c2ccccc12)c3oc(cc3)c4ccn(n4)c5ccccc5,"InChI=1/C25H24N4O3.ClH/c1-3-31-24(30)17-28-21-12-8-7-11-20(21)27(2)25(28)23-14-13-22(32-23)19-15-16-29(26-19)18-9-5-4-6-10-18;/h4-16,25H,3,17H2,1-2H3;1H",C25H23N4O3.Cl,,,,,,WHMFCIKOUYHWQX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.908,278-022-7,74918-21-1,"4,4'-[propane-1,3-diylbis(oxy)]bisbenzene-1,3-diamine tetrahydrochloride","4,4'-[propane-1,3-diylbis(oxy)]dibenzene-1,3-diamine tetrahydrochloride",Cl.Cl.Cl.Cl.Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1,Cl.Cl.Cl.Cl.Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1,"InChI=1/C15H20N4O2.4ClH/c16-10-2-4-14(12(18)8-10)20-6-1-7-21-15-5-3-11(17)9-13(15)19;;;;/h2-5,8-9H,1,6-7,16-19H2;4*1H",C15H20N4O2.4ClH,,,,,,UXPUOLAAWYPPLE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.912,278-026-9,74921-47-4,"(1,3-diphenylbutyl)-o-xylene","1-(1,3-diphenylbutyl)-2,3-dimethylbenzene",CC(CC(c1ccccc1)c2cccc(C)c2C)c3ccccc3,CC(CC(c1ccccc1)c2cccc(C)c2C)c3ccccc3,"InChI=1/C24H26/c1-18-11-10-16-23(20(18)3)24(22-14-8-5-9-15-22)17-19(2)21-12-6-4-7-13-21/h4-16,19,24H,17H2,1-3H3",C24H26,,,,,,BTNYARJZYPLRIO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.913,278-027-4,74926-27-5,"2,2,12-trimethyltridecane-1,11-diamine","2,2,12-trimethyltridecane-1,11-diamine",CC(C)C(N)CCCCCCCCC(C)(C)CN,CC(C)C(N)CCCCCCCCC(C)(C)CN,"InChI=1/C16H36N2/c1-14(2)15(18)11-9-7-5-6-8-10-12-16(3,4)13-17/h14-15H,5-13,17-18H2,1-4H3",C16H36N2,,,,,,NLXRGHSNLCETNA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.923,278-038-4,74956-19-7,"3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl](2-phenoxyethyl)amino]propiononitrile","3-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(2-phenoxyethyl)amino]propanenitrile",Clc3cc(cc(Cl)c3N=Nc1ccc(cc1)N(CCC#N)CCOc2ccccc2)[N+]([O-])=O,Clc3cc(cc(Cl)c3N=Nc1ccc(cc1)N(CCC#N)CCOc2ccccc2)[N+]([O-])=O,"InChI=1/C23H19Cl2N5O3/c24-21-15-19(30(31)32)16-22(25)23(21)28-27-17-7-9-18(10-8-17)29(12-4-11-26)13-14-33-20-5-2-1-3-6-20/h1-3,5-10,15-16H,4,12-14H2",C23H19Cl2N5O3,,,,,,YQXRNIHTMJZVMU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.927,278-043-1,74981-27-4,"2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]valeraldehyde","2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentanal",O=CC(CCC)=CCC1C\\C=C(\\C)C1(C)C,O=CC(CCC)=CCC1C\C=C(\C)C1(C)C,"InChI=1/C15H24O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7-8,11,14H,5-6,9-10H2,1-4H3",C15H24O,,,,,,FYNHROHOVQFDCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.946,278-064-6,75062-54-3,1H-indol-3-yl N-[(4-methylphenyl)sulphonyl]-L-alaninate,1H-indol-3-yl N-[(4-methylphenyl)sulfonyl]-L-alaninate,C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc2c[nH]c3ccccc23,C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc2c[nH]c3ccccc23,"InChI=1/C18H18N2O4S/c1-12-7-9-14(10-8-12)25(22,23)20-13(2)18(21)24-17-11-19-16-6-4-3-5-15(16)17/h3-11,13,19-20H,1-2H3",C18H18N2O4S,,,,,,CBIVSVOVPJAVRE-ZDUSSCGKSA-N,,,,,,,,,,,
100.070.959,278-078-2,75147-20-5,"Butyl 2,2,3,4,4-pentachloro-3-butenoate","butyl 2,2,3,4,4-pentachlorobut-3-enoate",CCCCOC(=O)C(Cl)(Cl)C(=C(Cl)Cl)Cl,CCCCOC(=O)C(Cl)(Cl)C(=C(Cl)Cl)Cl,"InChI=1/C8H9Cl5O2/c1-2-3-4-15-7(14)8(12,13)5(9)6(10)11/h2-4H2,1H3",C8H9Cl5O2,,,,,,JZJILZTVTMMGAR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.960,278-079-8,75147-23-8,"1,5-dimethylbicyclo[3.2.1]octan-8-one oxime","1,5-dimethylbicyclo[3.2.1]octan-8-one oxime",CC12CCCC(C)(CC1)C2=NO,CC12CCCC(C)(CC1)C2=NO,"InChI=1/C10H17NO/c1-9-4-3-5-10(2,7-6-9)8(9)11-12/h12H,3-7H2,1-2H3",C10H17NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18511,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.960,RADAAKRXEPVXBU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.785,280-087-1,83004-98-2,Octyl dichloroacetate,octyl dichloroacetate,CCCCCCCCOC(=O)C(Cl)Cl,CCCCCCCCOC(=O)C(Cl)Cl,"InChI=1/C10H18Cl2O2/c1-2-3-4-5-6-7-8-14-10(13)9(11)12/h9H,2-8H2,1H3",C10H18Cl2O2,,,,,,HBWBXXRQGCFPRB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.800,255-899-4,42588-57-8,3-ethoxy-2-methylacrylaldehyde,3-ethoxy-2-methylacrylaldehyde,CCO\\C=C(/C)\\C=O,CCO\C=C(/C)\C=O,"InChI=1/C6H10O2/c1-3-8-5-6(2)4-7/h4-5H,3H2,1-2H3",C6H10O2,,,,,,KDOAHVPFGIYCEU-AATRIKPKSA-N,,,,,,,,,,,
100.050.807,255-907-6,42602-67-5,N-3-thienylacetamide,N-3-thienylacetamide,CC(=O)Nc1ccsc1,CC(=O)Nc1ccsc1,"InChI=1/C6H7NOS/c1-5(8)7-6-2-3-9-4-6/h2-4H,1H3,(H,7,8)",C6H7NOS,,,,,,QHXQVXGAEYDJCR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.809,255-909-7,42607-20-5,"2,2-dimethylthiazolidine-4-carboxylic acid","2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid",CC1(C)NC(CS1)C(=O)O,CC1(C)NC(CS1)C(=O)O,"InChI=1/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)",C6H11NO2S,,,,,,OCQICQZUUHJWGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.812,255-912-3,42613-24-1,"Silicic acid, silver salt",silver(1+) hydroxy(oxo)silanolate,[Ag+].O[Si](=O)[O-],[Ag+].O[Si](=O)[O-],InChI=1/Ag.HO3Si/c;1-4(2)3/h;1H/q+1;-1,-,,,,,,PYSIGZKYEWSSGS-UHFFFAOYSA-N,,,,,,,,,,,
100.076.136,283-780-7,84712-90-3,Propylhept-3-en-2-ol,dec-6-en-5-ol,CCCC=CC(O)CCCC,CCCC=CC(O)CCCC,"InChI=1/C10H20O/c1-3-5-7-9-10(11)8-6-4-2/h7,9-11H,3-6,8H2,1-2H3",C10H20O,,,,,,QPGJFUFFQCNPOR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.137,283-781-2,84712-91-4,1-(2-chloropropyl)pyrrolidinium chloride,1-(2-chloropropyl)pyrrolidinium chloride,[Cl-].CC(Cl)C[NH+]1CCCC1,[Cl-].CC(Cl)C[NH+]1CCCC1,"InChI=1/C7H14ClN.ClH/c1-7(8)6-9-4-2-3-5-9;/h7H,2-6H2,1H3;1H",C7H14ClN.ClH,,,,,,JNSHTZQWYREZBE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.142,283-787-5,84712-96-9,2-[[[4-(phenylazo)phenyl]methyl]thio]ethanol,2-{[4-(phenyldiazenyl)benzyl]sulfanyl}ethanol,OCCSCc2ccc(N=Nc1ccccc1)cc2,OCCSCc2ccc(N=Nc1ccccc1)cc2,"InChI=1/C15H16N2OS/c18-10-11-19-12-13-6-8-15(9-7-13)17-16-14-4-2-1-3-5-14/h1-9,18H,10-12H2",C15H16N2OS,,,,,,AZPMLJUDKMGFPX-UHFFFAOYSA-N,,,,,,,,,,,
100.076.171,283-819-8,84731-60-2,"Icosahydro-8,19-(ethanoxyethanoxyethano)-8H,19H-dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine","icosahydro-8,19-(ethanooxyethanooxyethano)dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine",C1CCC2OCCN3CCOCCOCCN(CCOC4CCCCC4OCC3)CCOC2C1,C1CCC2OCCN3CCOCCOCCN(CCOC4CCCCC4OCC3)CCOC2C1,"InChI=1/C26H48N2O6/c1-2-6-24-23(5-1)31-17-11-27-9-15-29-21-22-30-16-10-28(12-18-32-24)14-20-34-26-8-4-3-7-25(26)33-19-13-27/h23-26H,1-22H2",C26H48N2O6,,,,,,GZLDPEATSMPYLM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.172,283-820-3,84731-61-3,"4-(5-ethyl-1,3-dioxan-2-yl)benzonitrile","4-(5-ethyl-1,3-dioxan-2-yl)benzonitrile",CCC1COC(OC1)c2ccc(cc2)C#N,CCC1COC(OC1)c2ccc(cc2)C#N,"InChI=1/C13H15NO2/c1-2-10-8-15-13(16-9-10)12-5-3-11(7-14)4-6-12/h3-6,10,13H,2,8-9H2,1H3",C13H15NO2,,,,,,YWSBRIQSYKROHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.997,251-713-0,33880-83-0,"(1a,2ß,4ß)-1-methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane","2,4-diisopropenyl-1-methyl-1-vinylcyclohexane",CC(=C)[C@H]1CC[C@](C)(C=C)[C@H](C1)C(=C)C,CC(=C)[C@H]1CC[C@](C)(C=C)[C@H](C1)C(=C)C,"InChI=1/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3",C15H24,,,,,,OPFTUNCRGUEPRZ-ZNMIVQPWSA-N,,,,,,,,,,,
100.047.128,251-857-4,34161-24-5,Fipexide,"1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenoxy)acetyl]piperazine",Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1,Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1,"InChI=1/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2",C20H21ClN2O4,,,,,,BFUJHVVEMMWLHC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.129,251-859-5,34161-31-4,4-phenylthiazol-2-amine monohydrobromide,"4-phenyl-1,3-thiazol-2-amine hydrobromide",Br.Nc1nc(cs1)c2ccccc2,Br.Nc1nc(cs1)c2ccccc2,"InChI=1/C9H8N2S.BrH/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;/h1-6H,(H2,10,11);1H",C9H8N2S.BrH,,,,,,BRVIFECEZRXQTD-UHFFFAOYSA-N,,,,,,,,,,,
100.047.133,251-863-7,34179-43-6,"Sodium 6-amino-5-[(3,4-dichlorophenyl)azo]-4-hydroxynaphthalene-2-sulphonate","sodium 6-amino-5-[(3,4-dichlorophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate",[Na+].Clc3ccc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)cc3Cl,[Na+].Clc3ccc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)cc3Cl,"InChI=1/C16H11Cl2N3O4S.Na/c17-11-3-2-9(6-12(11)18)20-21-16-13(19)4-1-8-5-10(26(23,24)25)7-14(22)15(8)16;/h1-7,22H,19H2,(H,23,24,25);/q;+1/p-1",C16H11Cl2N3O4S.Na,,,,,,IOMBKEFGGLGPJX-UHFFFAOYSA-M,,,,,,,,,,,
100.047.134,251-864-2,34180-11-5,1-(chloromethoxy)-2-methylpropane,1-(chloromethoxy)-2-methylpropane,CC(C)COCCl,CC(C)COCCl,"InChI=1/C5H11ClO/c1-5(2)3-7-4-6/h5H,3-4H2,1-2H3",C5H11ClO,,,,,,RRRBNCDKPVHUNU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.137,251-867-9,34183-22-7,1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride,1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride,Cl.CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2,Cl.CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2,"InChI=1/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H",C21H27NO3.ClH,,,,,,XWIHRGFIPXWGEF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.148,277-186-7,72987-56-5,"2-(6,10,10-trimethylbicyclo[7.2.0]undeca-2,5-dien-2-yl)ethyl acetate","2-(6,10,10-trimethylbicyclo[7.2.0]undeca-2,5-dien-2-yl)ethyl acetate",CC(=O)OCC\\C\\1=C\\C\\C=C(\\C)/CCC2C1CC2(C)C,CC(=O)OCC\C\1=C\C\C=C(\C)/CCC2C1CC2(C)C,"InChI=1/C18H28O2/c1-13-6-5-7-15(10-11-20-14(2)19)16-12-18(3,4)17(16)9-8-13/h6-7,16-17H,5,8-12H2,1-4H3",C18H28O2,,,,,,WXTWOJBDAKYXLP-GWMOXCNNSA-N,,,,,,,,,,,
100.070.150,277-188-8,72987-58-7,6-(1-methylvinyl)-8-oxabicyclo[3.2.1]octane,6-isopropenyl-8-oxabicyclo[3.2.1]octane,CC(=C)C1CC2CCCC1O2,CC(=C)C1CC2CCCC1O2,"InChI=1/C10H16O/c1-7(2)9-6-8-4-3-5-10(9)11-8/h8-10H,1,3-6H2,2H3",C10H16O,,,,,,HSVRBYQDQWOTEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.156,277-195-6,72999-33-8,3-hydroxy-7-[[(o-tolyl)amino]sulphonyl]-N-(o-tolyl)naphthalene-2-carboxamide,3-hydroxy-N-(2-methylphenyl)-7-[(2-methylphenyl)sulfamoyl]-2-naphthamide,Cc1ccccc1NC(=O)c2cc3cc(ccc3cc2O)S(=O)(=O)Nc4ccccc4C,Cc1ccccc1NC(=O)c2cc3cc(ccc3cc2O)S(=O)(=O)Nc4ccccc4C,"InChI=1/C25H22N2O4S/c1-16-7-3-5-9-22(16)26-25(29)21-14-19-13-20(12-11-18(19)15-24(21)28)32(30,31)27-23-10-6-4-8-17(23)2/h3-15,27-28H,1-2H3,(H,26,29)",C25H22N2O4S,,,,,,FUPMXJQQCIJMHC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.157,277-196-1,73000-03-0,"Chloro(1,1-dimethylethyl)methyl(pentafluorophenyl)silane","(1-chloro-2,2-dimethylpropyl)(pentafluorophenyl)silane",CC(C)(C)C(Cl)[SiH2]c1c(F)c(F)c(F)c(F)c1F,CC(C)(C)C(Cl)[SiH2]c1c(F)c(F)c(F)c(F)c1F,"InChI=1/C11H12ClF5Si/c1-11(2,3)10(12)18-9-7(16)5(14)4(13)6(15)8(9)17/h10H,18H2,1-3H3",C11H12ClF5Si,,,,,,MJNBRWDVIYIEKV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.164,277-203-8,73003-77-7,"1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene","1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene",CCOC(C)OCC=C(C)CC\\C=C(/C)C,CCOC(C)OCC=C(C)CC\C=C(/C)C,"InChI=1/C14H26O2/c1-6-15-14(5)16-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3",C14H26O2,,,,,,XJMAAOIVFHDJAK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.889,278-001-2,74800-62-7,"4-(5-pentyl-1,3-dioxan-2-yl)benzonitrile","4-(5-pentyl-1,3-dioxan-2-yl)benzonitrile",CCCCCC1COC(OC1)c2ccc(cc2)C#N,CCCCCC1COC(OC1)c2ccc(cc2)C#N,"InChI=1/C16H21NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3",C16H21NO2,,,,,,SSXIKUCDZOQOKB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.895,278-008-0,74841-72-8,(R)-5-octylfuran-2(5H)-one,5-octylfuran-2(5H)-one,CCCCCCCC[C@H]1OC(=O)C=C1,CCCCCCCC[C@H]1OC(=O)C=C1,"InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3",C12H20O2,,,,,,BWXCHUAWFSHXMU-LLVKDONJSA-N,,,,,,,,,,,
100.070.905,278-019-0,74912-37-1,2-isopropyl-5-methylhex-4-enyl acetate,2-isopropyl-5-methylhex-4-en-1-yl acetate,CC(C)C(COC(=O)C)CC=C(C)C,CC(C)C(COC(=O)C)CC=C(C)C,"InChI=1/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,10,12H,7-8H2,1-5H3",C12H22O2,,,,,,JMTJOEMOBHPDMW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.917,278-032-1,74932-41-5,"2-[(4-chlorophenyl)amino]-2-(2,6-dichlorophenyl)acetamide","2-[(4-chlorophenyl)amino]-2-(2,6-dichlorophenyl)acetamide",NC(=O)C(Nc1ccc(Cl)cc1)c2c(Cl)cccc2Cl,NC(=O)C(Nc1ccc(Cl)cc1)c2c(Cl)cccc2Cl,"InChI=1/C14H11Cl3N2O/c15-8-4-6-9(7-5-8)19-13(14(18)20)12-10(16)2-1-3-11(12)17/h1-7,13,19H,(H2,18,20)",C14H11Cl3N2O,,,,,,JQWGMBWZTWUTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.924,278-040-5,74957-03-2,"5,9-dibutyl-5,9-dichloro-7-hydroxy-6,8-dioxa-7-phospha-5,9-distannatridecane 7-oxide","5,9-dibutyl-5,9-dichloro-7-hydroxy-6,8-dioxa-7-phospha-5,9-distannatridecane 7-oxide",CCCC[Sn](Cl)(CCCC)OP(=O)(O)O[Sn](Cl)(CCCC)CCCC,CCCC[Sn](Cl)(CCCC)OP(=O)(O)O[Sn](Cl)(CCCC)CCCC,"InChI=1/4C4H9.2ClH.H3O4P.2Sn/c4*1-3-4-2;;;1-5(2,3)4;;/h4*1,3-4H2,2H3;2*1H;(H3,1,2,3,4);;/q;;;;;;;2*+2/p-4/rC16H37Cl2O4PSn2/c1-5-9-13-24(17,14-10-6-2)21-23(19,20)22-25(18,15-11-7-3)16-12-8-4/h5-16H2,1-4H3,(H,19,20)",C16H37Cl2O4PSn2,,,,,,IFVJJBIONVTOOM-UHFFFAOYSA-J,,,,,,,,,,,
100.070.928,278-044-7,74981-29-6,"2,2,3-trimethyl-ß-propylcyclopent-3-ene-1-butanol","2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol",CCCC(CO)CCC1CC=C(C)C1(C)C,CCCC(CO)CCC1CC=C(C)C1(C)C,"InChI=1/C15H28O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7,13-14,16H,5-6,8-11H2,1-4H3",C15H28O,,,,,,GRZGHPUCFCQWND-UHFFFAOYSA-N,,,,,,,,,,,
100.070.934,278-051-5,75005-95-7,"2-ethylhexyl 2-([1,1'-biphenyl]-4-ylcarbonyl)benzoate",2-ethylhexyl 2-(biphenyl-4-ylcarbonyl)benzoate,CCCCC(CC)COC(=O)c1ccccc1C(=O)c2ccc(cc2)c3ccccc3,CCCCC(CC)COC(=O)c1ccccc1C(=O)c2ccc(cc2)c3ccccc3,"InChI=1/C28H30O3/c1-3-5-11-21(4-2)20-31-28(30)26-15-10-9-14-25(26)27(29)24-18-16-23(17-19-24)22-12-7-6-8-13-22/h6-10,12-19,21H,3-5,11,20H2,1-2H3",C28H30O3,,,,,,TWAOKHHZKFMFMD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.935,278-052-0,75006-53-0,"13-hexyl-1,4,7,10-tetraoxa-13-azacyclopentadecane","13-hexyl-1,4,7,10-tetraoxa-13-azacyclopentadecane",CCCCCCN1CCOCCOCCOCCOCC1,CCCCCCN1CCOCCOCCOCCOCC1,"InChI=1/C16H33NO4/c1-2-3-4-5-6-17-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h2-16H2,1H3",C16H33NO4,,,,,,UNDPIHWFQWDTGX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.939,278-056-2,75011-65-3,"4-[2-(methylamino)ethyl]-1,2-phenylene isobutyrate hydrochloride","4-[2-(methylamino)ethyl]-1,2-phenylene bis(2-methylpropanoate) hydrochloride",Cl.CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1,Cl.CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1,"InChI=1/C17H25NO4.ClH/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4;/h6-7,10-12,18H,8-9H2,1-5H3;1H",C17H25NO4.ClH,,,,,,ALIXRWKJZYLBJI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.901,254-909-4,40411-77-6,"N-(2,6-dinitrophenyl)-2,4,6-trinitroaniline","N-(2,6-dinitrophenyl)-2,4,6-trinitroaniline",[O-][N+](=O)c1cc(c(Nc2c(cccc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(Nc2c(cccc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H6N6O10/c19-14(20)6-4-9(17(25)26)12(10(5-6)18(27)28)13-11-7(15(21)22)2-1-3-8(11)16(23)24/h1-5,13H",C12H6N6O10,,,,,,OZFMAAJZKNAXBR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.902,254-911-5,40412-06-4,2-(2-thienyl)ethyl toluene-p-sulphonate,2-(2-thienyl)ethyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OCCc2cccs2,Cc1ccc(cc1)S(=O)(=O)OCCc2cccs2,"InChI=1/C13H14O3S2/c1-11-4-6-13(7-5-11)18(14,15)16-9-8-12-3-2-10-17-12/h2-7,10H,8-9H2,1H3",C13H14O3S2,,,,,,HLPRKWVEMYDPAU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.904,254-913-6,40421-16-7,"1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride","(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl chloride",CN1C(=O)N(C)c2ncn(CC(=O)Cl)c2C1=O,CN1C(=O)N(C)c2ncn(CC(=O)Cl)c2C1=O,"InChI=1/C9H9ClN4O3/c1-12-7-6(8(16)13(2)9(12)17)14(4-11-7)3-5(10)15/h4H,3H2,1-2H3",C9H9ClN4O3,,,,,,HBTFYZONVQJJNR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.905,254-914-1,40422-73-9,1-[4-(2-bromoethyl)phenyl]ethan-1-one,1-[4-(2-bromoethyl)phenyl]ethanone,CC(=O)c1ccc(CCBr)cc1,CC(=O)c1ccc(CCBr)cc1,"InChI=1/C10H11BrO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3",C10H11BrO,,,,,,SCBYPRYCSIVASE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.911,254-920-4,40444-43-7,"2,4-dihydroxy-4'-methylbenzophenone","(2,4-dihydroxyphenyl)(4-methylphenyl)methanone",Cc1ccc(cc1)C(=O)c2ccc(O)cc2O,Cc1ccc(cc1)C(=O)c2ccc(O)cc2O,"InChI=1/C14H12O3/c1-9-2-4-10(5-3-9)14(17)12-7-6-11(15)8-13(12)16/h2-8,15-16H,1H3",C14H12O3,,,,,,FGCATPMSNCVLQK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.912,254-922-5,40447-04-9,N-(3-chloro-o-tolyl)benzamide,N-(3-chloro-2-methylphenyl)benzamide,Cc1c(Cl)cccc1NC(=O)c2ccccc2,Cc1c(Cl)cccc1NC(=O)c2ccccc2,"InChI=1/C14H12ClNO/c1-10-12(15)8-5-9-13(10)16-14(17)11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17)",C14H12ClNO,,,,,,YYBZYCYXYZUIHL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.913,254-923-0,40452-70-8,p-cyclopentylbenzaldehyde,4-cyclopentylbenzaldehyde,O=Cc1ccc(cc1)C2CCCC2,O=Cc1ccc(cc1)C2CCCC2,"InChI=1/C12H14O/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-9,11H,1-4H2",C12H14O,,,,,,PYEFFBOZWVJKEU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.923,254-934-0,40465-45-0,4-isocyanatobenzonitrile,4-isocyanatobenzonitrile,O=C=Nc1ccc(cc1)C#N,O=C=Nc1ccc(cc1)C#N,InChI=1/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,C8H4N2O,,,,,,TVSXDZNUTPLDKY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.931,254-942-4,40498-13-3,"2,3-dihydro-1,4-dihydroxyanthraquinone","1,4-dihydroxy-2,3-dihydroanthracene-9,10-dione",OC1=C2C(=O)c3ccccc3C(=O)C2=C(O)CC1,OC1=C2C(=O)c3ccccc3C(=O)C2=C(O)CC1,"InChI=1/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,15-16H,5-6H2",C14H10O4,,,,,,XVGQSHVTYJLKSM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.937,254-949-2,40512-60-5,(R)-2-chloro-2-oxo-1-phenylethyl dichloroacetate,2-chloro-2-oxo-1-phenylethyl dichloroacetate,ClC(Cl)C(=O)O[C@@H](C(=O)Cl)c1ccccc1,ClC(Cl)C(=O)O[C@@H](C(=O)Cl)c1ccccc1,"InChI=1/C10H7Cl3O3/c11-8(12)10(15)16-7(9(13)14)6-4-2-1-3-5-6/h1-5,7-8H",C10H7Cl3O3,,,,,,LQVKWYWARUZZSU-SSDOTTSWSA-N,,,,,,,,,,,
100.049.939,254-951-3,40518-76-1,"5,9-dimethyl-4,8-decadienoic acid","5,9-dimethyldeca-4,8-dienoic acid",OC(=O)CCC=C(C)CC\\C=C(/C)C,OC(=O)CCC=C(C)CC\C=C(/C)C,"InChI=1/C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3,(H,13,14)",C12H20O2,,,,,,HPOYZGTYWKRTPU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.942,254-955-5,40523-01-1,"5,6-dimethoxy-2-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-1H-indole hydrochloride","5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole hydrochloride",Cl.COc1cc2[nH]c(C)c(CCN3CCN(CC3)c4ccccc4)c2cc1OC,Cl.COc1cc2[nH]c(C)c(CCN3CCN(CC3)c4ccccc4)c2cc1OC,"InChI=1/C23H29N3O2.ClH/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18;/h4-8,15-16,24H,9-14H2,1-3H3;1H",C23H29N3O2.xClH,,,,,,USAPVNXIZYFWLO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.575,254-551-9,39635-79-5,"4,4'-sulphonylbis[2,6-dibromophenol]","4,4'-sulfonylbis(2,6-dibromophenol)",Oc1c(Br)cc(cc1Br)S(=O)(=O)c2cc(Br)c(O)c(Br)c2,Oc1c(Br)cc(cc1Br)S(=O)(=O)c2cc(Br)c(O)c(Br)c2,"InChI=1/C12H6Br4O4S/c13-7-1-5(2-8(14)11(7)17)21(19,20)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H",C12H6Br4O4S,,,,,,JHJUYGMZIWDHMO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.578,254-555-0,39638-34-1,(R)-2-hydroxy-4-(methylthio)butyric acid,2-hydroxy-4-(methylsulfanyl)butanoic acid,CSCC[C@@H](O)C(=O)O,CSCC[C@@H](O)C(=O)O,"InChI=1/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",C5H10O3S,,,,,,ONFOSYPQQXJWGS-SCSAIBSYSA-N,,,,,,,,,,,
100.049.586,254-563-4,39649-90-6,Dipotassium glutarate,dipotassium glutarate,[K+].[K+].[O-]C(=O)CCCC(=O)[O-],[K+].[K+].[O-]C(=O)CCCC(=O)[O-],"InChI=1/C5H8O4.2K/c6-4(7)2-1-3-5(8)9;;/h1-3H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",C5H8O4.2K,,,,,,FLAYZGYYOSGYDY-UHFFFAOYSA-L,,,,,,,,,,,
100.049.591,254-569-7,39659-52-4,2-hydroxy-3-(stearoyloxy)propyl 5-oxo-L-prolinate,2-hydroxy-3-(stearoyloxy)propyl 5-oxo-L-prolinate,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C26H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)32-20-22(28)21-33-26(31)23-18-19-24(29)27-23/h22-23,28H,2-21H2,1H3,(H,27,29)",C26H47NO6,,,,,,FKXCEDMNPGAMRE-WCSIJFPASA-N,,,,,,,,,,,
100.072.794,280-097-6,83006-47-7,"p-[4,5-dihydro-3-methyl-4-[[4-methyl-3-[(p-tolylamino)sulphonyl]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-[3-methyl-4-({4-methyl-3-[(4-methylphenyl)sulfamoyl]phenyl}diazenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2C)N=NC4C(\\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O,Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2C)N=NC4C(\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O,"InChI=1/C24H23N5O6S2/c1-15-4-7-18(8-5-15)28-36(31,32)22-14-19(9-6-16(22)2)25-26-23-17(3)27-29(24(23)30)20-10-12-21(13-11-20)37(33,34)35/h4-14,23,28H,1-3H3,(H,33,34,35)",C24H23N5O6S2,,,,,,BQDUPLJLYXLYCF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.795,280-098-1,83006-48-8,"4-[4-[[3-[(ethylanilino)sulphonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-[4-({3-[(2-ethylphenyl)sulfamoyl]-4-methylphenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=NC3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=NC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,"InChI=1/C25H25N5O6S2/c1-4-18-7-5-6-8-22(18)29-37(32,33)23-15-19(10-9-16(23)2)26-27-24-17(3)28-30(25(24)31)20-11-13-21(14-12-20)38(34,35)36/h5-15,24,29H,4H2,1-3H3,(H,34,35,36)",C25H25N5O6S2,,,,,,PLZXYBITHMGYNV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.814,280-118-9,83006-69-3,"Trisodium 5,8-bis[[4-(1,1-dimethylethyl)-2-sulphonatophenyl]amino]-9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate","trisodium 5,8-bis[(4-tert-butyl-2-sulfonatophenyl)amino]-1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3S(=O)(=O)[O-])C(C)(C)C)c4C(=O)c5c(O)c(cc(O)c5C(=O)c24)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].[Na+].CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3S(=O)(=O)[O-])C(C)(C)C)c4C(=O)c5c(O)c(cc(O)c5C(=O)c24)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C34H34N2O13S3.3Na/c1-33(2,3)16-7-9-18(23(13-16)50(41,42)43)35-20-11-12-21(36-19-10-8-17(34(4,5)6)14-24(19)51(44,45)46)27-26(20)31(39)28-22(37)15-25(52(47,48)49)30(38)29(28)32(27)40;;;/h7-15,35-38H,1-6H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C34H34N2O13S3.3Na,,,,,,CUPNGHZDSXEEBW-UHFFFAOYSA-K,,,,,,,,,,,
100.070.169,277-209-0,73003-84-6,4-hydroxy-7-[[[(5-hydroxy-7-sulpho-2-naphthyl)amino]carbonyl]amino]-3-[(2-methyl-4-sulphophenyl)azo]naphthalene-2-sulphonic acid,4-hydroxy-7-{[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]amino}-3-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c2cc1cc(ccc1c(O)c2)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4C)S(O)(=O)=O)c5O)S(O)(=O)=O,OS(=O)(=O)c2cc1cc(ccc1c(O)c2)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4C)S(O)(=O)=O)c5O)S(O)(=O)=O,"InChI=1/C28H22N4O12S3/c1-14-8-19(45(36,37)38)4-7-23(14)31-32-26-25(47(42,43)44)12-16-10-18(3-6-22(16)27(26)34)30-28(35)29-17-2-5-21-15(9-17)11-20(13-24(21)33)46(39,40)41/h2-13,33-34H,1H3,(H2,29,30,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)",C28H22N4O12S3,,,,,,YOWVPESBJWMOAU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.193,277-235-2,73019-17-7,"N,N''-naphthalene-1,5-diylbis[N',N'-dimethylurea]","N',N'''-naphthalene-1,5-diylbis(1,1-dimethylurea)",CN(C)C(=O)Nc1cccc2c(NC(=O)N(C)C)cccc12,CN(C)C(=O)Nc1cccc2c(NC(=O)N(C)C)cccc12,"InChI=1/C16H20N4O2/c1-19(2)15(21)17-13-9-5-8-12-11(13)7-6-10-14(12)18-16(22)20(3)4/h5-10H,1-4H3,(H,17,21)(H,18,22)",C16H20N4O2,,,,,,UETWDALPWUJVBV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.198,277-241-5,73033-58-6,5-chloro-2-nitrobenzyl alcohol,(5-chloro-2-nitrophenyl)methanol,OCc1cc(Cl)ccc1[N+](=O)[O-],OCc1cc(Cl)ccc1[N+](=O)[O-],"InChI=1/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2",C7H6ClNO3,,,,,,ULYZTHQGJXPEFT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.200,277-243-6,73037-35-1,"Octahydro-4,7-methano-1H-indenecarbonitrile","octahydro-1H-4,7-methanoindene-1-carbonitrile",N#CC1CCC2C3CCC(C3)C12,N#CC1CCC2C3CCC(C3)C12,"InChI=1/C11H15N/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h7-11H,1-5H2",C11H15N,,,,,,IUOQVUZRLHVXPM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.298,257-547-5,51955-66-9,Sodium [3-(4-chloro-2-methylphenyl)-1-methyltriazen-2-yl]acetate,sodium [3-(4-chloro-2-methylphenyl)-1-methyltriaz-2-en-1-yl]acetate,CN(CC(=O)O[Na])N=Nc1ccc(Cl)cc1C,CN(CC(=O)O[Na])N=Nc1ccc(Cl)cc1C,"InChI=1/C10H12ClN3O2.Na/c1-7-5-8(11)3-4-9(7)12-13-14(2)6-10(15)16;/h3-5H,6H2,1-2H3,(H,15,16);/q;+1/p-1",C10H12ClN3O2.Na,,,,,,IXTPMNPIHPKBAQ-UHFFFAOYSA-M,,,,,,,,,,,
100.052.299,257-548-0,51955-67-0,Sodium [1-methyl-3-(4-methylphenyl)triazen-2-yl]acetate,sodium [1-methyl-3-(4-methylphenyl)triaz-2-en-1-yl]acetate,CN(CC(=O)O[Na])N=Nc1ccc(C)cc1,CN(CC(=O)O[Na])N=Nc1ccc(C)cc1,"InChI=1/C10H13N3O2.Na/c1-8-3-5-9(6-4-8)11-12-13(2)7-10(14)15;/h3-6H,7H2,1-2H3,(H,14,15);/q;+1/p-1",C10H13N3O2.Na,,,,,,SJQOKHZZCZNFOD-UHFFFAOYSA-M,,,,,,,,,,,
100.052.300,257-549-6,51956-42-4,(dodecylthio)acetonitrile,(dodecylsulfanyl)acetonitrile,CCCCCCCCCCCCSCC#N,CCCCCCCCCCCCSCC#N,"InChI=1/C14H27NS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h2-11,13-14H2,1H3",C14H27NS,,,,,,INBMWUQPDJOXCH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.302,257-551-7,51959-84-3,"5-oxo-N,N-dipropylpyrrolidine-2-carboxamide","5-oxo-N,N-dipropylprolinamide",CCCN(CCC)C(=O)C1CCC(=O)N1,CCCN(CCC)C(=O)C1CCC(=O)N1,"InChI=1/C11H20N2O2/c1-3-7-13(8-4-2)11(15)9-5-6-10(14)12-9/h9H,3-8H2,1-2H3,(H,12,14)",C11H20N2O2,,,,,,ODKKEMNVADJPKL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.306,257-555-9,51959-88-7,"5-oxo-N,N-dipentylpyrrolidine-2-carboxamide","5-oxo-N,N-dipentylprolinamide",CCCCCN(CCCCC)C(=O)C1CCC(=O)N1,CCCCCN(CCCCC)C(=O)C1CCC(=O)N1,"InChI=1/C15H28N2O2/c1-3-5-7-11-17(12-8-6-4-2)15(19)13-9-10-14(18)16-13/h13H,3-12H2,1-2H3,(H,16,18)",C15H28N2O2,,,,,,PVKBSNQSHLPBAK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.144,251-875-2,34201-01-9,"3,4-dihydro-2H-pyran-2-carboxylic acid","3,4-dihydro-2H-pyran-2-carboxylic acid",OC(=O)C1CCC=CO1,OC(=O)C1CCC=CO1,"InChI=1/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H,7,8)",C6H8O3,,,,,,OTLWUWJIIXAOEO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.150,251-882-0,34206-40-1,"Butan-2-one O,O',O'',O'''-silanetetrayltetraoxime","butan-2-one O,O',O'',O'''-silanetetrayloxime",CCC(=NO[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC)C,CCC(=NO[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC)C,"InChI=1/C16H32N4O4Si/c1-9-13(5)17-21-25(22-18-14(6)10-2,23-19-15(7)11-3)24-20-16(8)12-4/h9-12H2,1-8H3",C16H32N4O4Si,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12320,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.150,INETXKGLHYNTHK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.768,277-868-4,74431-52-0,(R)-3-(acetylthio)-2-methylpropionic acid,3-(acetylsulfanyl)-2-methylpropanoic acid,C[C@@H](CSC(=O)C)C(=O)O,C[C@@H](CSC(=O)C)C(=O)O,"InChI=1/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)",C6H10O3S,,,,,,VFVHNRJEYQGRGE-BYPYZUCNSA-N,,,,,,,,,,,
100.070.772,277-873-1,74441-05-7,"N-[4-(aminocarbonyl)phenyl]-4-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzamide","N-(4-carbamoylphenyl)-4-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)benzamide",NC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)N=NC(C(C)=O)C(=O)Nc3ccc4NC(=O)Nc4c3,NC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)N=NC(C(C)=O)C(=O)Nc3ccc4NC(=O)Nc4c3,"InChI=1/C25H21N7O5/c1-13(33)21(24(36)28-18-10-11-19-20(12-18)30-25(37)29-19)32-31-17-8-4-15(5-9-17)23(35)27-16-6-2-14(3-7-16)22(26)34/h2-12,21H,1H3,(H2,26,34)(H,27,35)(H,28,36)(H2,29,30,37)",C25H21N7O5,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5467,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.772,PXMLTVJEYHGPEH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.779,277-881-5,74462-04-7,"4,4'-dodecylidenebisphenol","4,4'-dodecane-1,1-diyldiphenol",CCCCCCCCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,CCCCCCCCCCCC(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-24(20-12-16-22(25)17-13-20)21-14-18-23(26)19-15-21/h12-19,24-26H,2-11H2,1H3",C24H34O2,,,,,,YMZDMPPYBDUSMI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.786,277-888-3,74499-03-9,Oxytocin dihydrogen citrate,"1-{[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-sec-butyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-leucylglycinamide 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N.OC(=O)CC(O)(CC(=O)O)C(=O)O,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C43H66N12O12S2.C6H8O7/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C43H66N12O12S2.C6H8O7,,,,,,BVNZZOQHXXRKBW-BXUJZNQYSA-N,,,,,,,,,,,
100.050.833,255-935-9,42771-79-9,"1-(2-fluoro[1,1'-biphenyl]-4-yl)ethan-1-one",1-(2-fluorobiphenyl-4-yl)ethanone,CC(=O)c1ccc(c(F)c1)c2ccccc2,CC(=O)c1ccc(c(F)c1)c2ccccc2,"InChI=1/C14H11FO/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h2-9H,1H3",C14H11FO,,,,,,ZLKQQDFLPVWFDT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.837,255-940-6,42783-06-2,"2,2'-[[4-[(3,5-dinitro-2-thienyl)azo]phenyl]imino]bisethyl diacetate","({4-[(3,5-dinitro-2-thienyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c1ccc(cc1)N=Nc2sc(cc2[N+]([O-])=O)[N+]([O-])=O,CC(=O)OCCN(CCOC(C)=O)c1ccc(cc1)N=Nc2sc(cc2[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H19N5O8S/c1-12(24)30-9-7-21(8-10-31-13(2)25)15-5-3-14(4-6-15)19-20-18-16(22(26)27)11-17(32-18)23(28)29/h3-6,11H,7-10H2,1-2H3",C18H19N5O8S,,,,,,YPNBSXJSFUWYMV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.841,255-944-8,42787-75-7,"5H-dibenz[b,f]azepine-5-carbonitrile","5H-dibenzo[b,f]azepine-5-carbonitrile",N#CN1c2ccccc2C=Cc3ccccc13,N#CN1c2ccccc2C=Cc3ccccc13,InChI=1/C15H10N2/c16-11-17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-10H,C15H10N2,,,,,,KMJHZCLHURUEKI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.842,255-945-3,42794-76-3,Midodrine,"N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]glycinamide",COc1ccc(OC)c(c1)C(O)CNC(=O)CN,COc1ccc(OC)c(c1)C(O)CNC(=O)CN,"InChI=1/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)",C12H18N2O4,,,,,,PTKSEFOSCHHMPD-UHFFFAOYSA-N,,,,,,,,,,,
100.050.845,255-949-5,42808-11-7,"1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-proline, compound with cyclohexylamine (1:1)",1-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-proline - cyclohexanamine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CCC[C@H]3C(=O)O.NC4CCCCC4,CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CCC[C@H]3C(=O)O.NC4CCCCC4,"InChI=1/C17H20N2O4S.C6H13N/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21;7-6-4-2-1-3-5-6/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21);6H,1-5,7H2",C17H20N2O4S.C6H13N,,,,,,FBKAILSRUGKVAL-RSAXXLAASA-N,,,,,,,,,,,
100.050.851,255-955-8,42822-98-0,"N-(3,7-dimethyl-6-octenylidene)aniline","N-(3,7-dimethyloct-6-en-1-ylidene)aniline",C/C(C)=C\\CCC(C)CC=Nc1ccccc1,C/C(C)=C\CCC(C)CC=Nc1ccccc1,"InChI=1/C16H23N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3",C16H23N,,,,,,YISAHFPSGNFFAI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.940,278-057-8,75024-29-2,a-cyclopropyl-4-isopropylbenzyl alcohol,cyclopropyl(4-isopropylphenyl)methanol,CC(C)c1ccc(cc1)C(O)C2CC2,CC(C)c1ccc(cc1)C(O)C2CC2,"InChI=1/C13H18O/c1-9(2)10-3-5-11(6-4-10)13(14)12-7-8-12/h3-6,9,12-14H,7-8H2,1-2H3",C13H18O,,,,,,HNDQBKBGKHSREF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.943,278-060-4,75033-21-5,Ethyl 3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carboxylate,ethyl 3-methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carboxylate,CCOC(=O)C1OC1(C)CCC=C(C)C,CCOC(=O)C1OC1(C)CCC=C(C)C,"InChI=1/C12H20O3/c1-5-14-11(13)10-12(4,15-10)8-6-7-9(2)3/h7,10H,5-6,8H2,1-4H3",C12H20O3,,,,,,NZPDKZBODKIQSA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.945,278-063-0,75048-15-6,1-[1-(isobutoxy)ethoxy]-3-methylbutane,1-(1-isobutoxyethoxy)-3-methylbutane,CC(C)CCOC(C)OCC(C)C,CC(C)CCOC(C)OCC(C)C,"InChI=1/C11H24O2/c1-9(2)6-7-12-11(5)13-8-10(3)4/h9-11H,6-8H2,1-5H3",C11H24O2,,,,,,PFGKDSOUFDQBLI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.947,278-065-1,75067-66-2,4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl decanoate,4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl decanoate,CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3,CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3,"InChI=1/C31H41BrFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3",C31H41BrFNO3,,,,,,ZINCPWWBSRSXBH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.952,278-070-9,75113-55-2,"1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[(p-tolyl)azo]nicotinonitrile","6-hydroxy-4-methyl-5-[(4-methylphenyl)diazenyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C2=C(/C)C(/N=Nc1ccc(C)cc1)=C(/O)NC2=O,N#C\C2=C(/C)C(/N=Nc1ccc(C)cc1)=C(/O)NC2=O,"InChI=1/C14H12N4O2/c1-8-3-5-10(6-4-8)17-18-12-9(2)11(7-15)13(19)16-14(12)20/h3-6H,1-2H3,(H2,16,19,20)",C14H12N4O2,,,,,,GQTIFDAKWBGUAT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.956,278-075-6,75125-55-2,"1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxonicotinonitrile","6-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C2=C(/C)C(/N=Nc1ccc(OC)cc1[N+]([O-])=O)=C(/O)NC2=O,N#C\C2=C(/C)C(/N=Nc1ccc(OC)cc1[N+]([O-])=O)=C(/O)NC2=O,"InChI=1/C14H11N5O5/c1-7-9(6-15)13(20)16-14(21)12(7)18-17-10-4-3-8(24-2)5-11(10)19(22)23/h3-5H,1-2H3,(H2,16,20,21)",C14H11N5O5,,,,,,RIECVLDMNHKXER-UHFFFAOYSA-N,,,,,,,,,,,
100.070.957,278-076-1,75125-56-3,"N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]butyramide","N-{2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}butanamide",[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(=O)CCC)N(CC)CC)c(C#N)c2,[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(=O)CCC)N(CC)CC)c(C#N)c2,"InChI=1/C22H23N7O3/c1-4-7-21(30)25-20-12-17(28(5-2)6-3)8-9-19(20)26-27-22-15(13-23)10-18(29(31)32)11-16(22)14-24/h8-12H,4-7H2,1-3H3,(H,25,30)",C22H23N7O3,,,,,,IYVJKFRNPLTKPN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.781,280-082-4,82980-51-6,"2,4-dinitro-6-[[2-(phenylamino)-1-naphthyl]azo]phenol","2-[(2-anilino-1-naphthyl)diazenyl]-4,6-dinitrophenol",Oc4c(cc(cc4N=Nc2c3ccccc3ccc2Nc1ccccc1)[N+]([O-])=O)[N+]([O-])=O,Oc4c(cc(cc4N=Nc2c3ccccc3ccc2Nc1ccccc1)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C22H15N5O5/c28-22-19(12-16(26(29)30)13-20(22)27(31)32)24-25-21-17-9-5-4-6-14(17)10-11-18(21)23-15-7-2-1-3-8-15/h1-13,23,28H",C22H15N5O5,,,,,,PSRILCAZECMWDT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.782,280-084-5,82985-35-1,Bis(trimethoxysilylpropyl)amine,1-(trimethoxysilyl)-N-[1-(trimethoxysilyl)propyl]propan-1-amine,CCC(NC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC,CCC(NC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC,"InChI=1/C12H31NO6Si2/c1-9-11(20(14-3,15-4)16-5)13-12(10-2)21(17-6,18-7)19-8/h11-13H,9-10H2,1-8H3",C12H31NO6Si2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5509,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.782,MBOQUARANKVDOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.783,280-085-0,82991-47-7,trans-1-ethyl-4-(4-propylcyclohexyl)benzene,1-ethyl-4-(4-propylcyclohexyl)benzene,CCCC1CCC(CC1)c2ccc(CC)cc2,CCCC1CCC(CC1)c2ccc(CC)cc2,"InChI=1/C17H26/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3",C17H26,,,,,,OYOBZVHPZUVLSF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.789,280-091-3,83006-42-2,2-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-5-nitrobenzenesulphonic acid,2-({4-[(4-hydroxyphenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonic acid,Oc3ccc(N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)cc3,Oc3ccc(N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)cc3,"InChI=1/C18H14N4O6S/c23-16-8-5-14(6-9-16)21-20-13-3-1-12(2-4-13)19-17-10-7-15(22(24)25)11-18(17)29(26,27)28/h1-11,19,23H,(H,26,27,28)",C18H14N4O6S,,,,,,KGOKCFPTPCYMJF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.796,280-099-7,83006-49-9,Sodium 2-[4-[[4-[[(p-tolyl)sulphonyl]oxy]-3-tolyl]azo]anilino]-5-nitrobenzenesulphonate,sodium 2-({4-[(3-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonate,[Na+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccc(C)cc4,[Na+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccc(C)cc4,"InChI=1/C26H22N4O8S2.Na/c1-17-3-11-23(12-4-17)40(36,37)38-25-14-9-21(15-18(25)2)29-28-20-7-5-19(6-8-20)27-24-13-10-22(30(31)32)16-26(24)39(33,34)35;/h3-16,27H,1-2H3,(H,33,34,35);/q;+1/p-1",C26H22N4O8S2.Na,,,,,,SKFIFCOCLZVGGJ-UHFFFAOYSA-M,,,,,,,,,,,
100.049.593,254-571-8,39664-33-0,"(1-methylethylidene)di-4,1-cyclohexanediyl bismethacrylate","propane-2,2-diyldicyclohexane-4,1-diyl bis(2-methylacrylate)",CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C2CCC(CC2)OC(=O)C(=C)C,CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C2CCC(CC2)OC(=O)C(=C)C,"InChI=1/C23H36O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h17-20H,1,3,7-14H2,2,4-6H3",C23H36O4,,,,,,RIVWLNPMWPTCEP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.597,254-576-5,39668-76-3,N-(3-hydroxypropyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide,N-(3-hydroxypropyl)-2-isopropyl-5-methylcyclohexanecarboxamide,CC(C)C1CCC(C)CC1C(=O)NCCCO,CC(C)C1CCC(C)CC1C(=O)NCCCO,"InChI=1/C14H27NO2/c1-10(2)12-6-5-11(3)9-13(12)14(17)15-7-4-8-16/h10-13,16H,4-9H2,1-3H3,(H,15,17)",C14H27NO2,,,,,,VBXWUOYNNYFRAX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.605,254-584-9,39669-92-6,"Tetradeca-1,3-diene","tetradeca-1,3-diene",CCCCCCCCCCC=CC=C,CCCCCCCCCCC=CC=C,"InChI=1/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-14H2,2H3",C14H26,,,,,,LRIUTQPZISVIHK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.606,254-585-4,39669-97-1,N-[3-(dimethylamino)propyl]hexadecan-1-amide,N-[3-(dimethylamino)propyl]hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCCN(C)C,CCCCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1/C21H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-20H2,1-3H3,(H,22,24)",C21H44N2O,,,,,,BDHJUCZXTYXGCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.611,254-591-7,39684-61-2,(Z)-a-(methoxyimino)furan-2-acetic acid,2-furyl(methoxyimino)acetic acid,CO\\N=C(/C(=O)O)\\c1occc1,CO\N=C(/C(=O)O)\c1occc1,"InChI=1/C7H7NO4/c1-11-8-6(7(9)10)5-3-2-4-12-5/h2-4H,1H3,(H,9,10)",C7H7NO4,,,,,,ZNQCEVIJOQZWLO-VURMDHGXSA-N,,,,,,,,,,,
100.054.042,259-466-0,55066-57-4,2-methyl-5-(1-methylethylidene)cyclohexyl propionate,5-isopropylidene-2-methylcyclohexyl propionate,CCC(=O)OC1CC(=C(C)C)CCC1C,CCC(=O)OC1CC(=C(C)C)CCC1C,"InChI=1/C13H22O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h10,12H,5-8H2,1-4H3",C13H22O2,,,,,,BJSRPZMUHWIMMD-UHFFFAOYSA-N,,,,,,,,,,,
100.054.047,259-471-8,55067-98-6,"1,3-bis(tribromophenoxy)propan-2-ol","1,3-bis(2,3,4-tribromophenoxy)propan-2-ol",OC(COc1ccc(Br)c(Br)c1Br)COc2ccc(Br)c(Br)c2Br,OC(COc1ccc(Br)c(Br)c1Br)COc2ccc(Br)c(Br)c2Br,"InChI=1/C15H10Br6O3/c16-8-1-3-10(14(20)12(8)18)23-5-7(22)6-24-11-4-2-9(17)13(19)15(11)21/h1-4,7,22H,5-6H2",C15H10Br6O3,,,,,,RCWABTBIRDAWRL-UHFFFAOYSA-N,,,,,,,,,,,
100.054.057,259-482-8,55112-42-0,4-methylpiperazine-1-carbonyl chloride monohydrochloride,4-methylpiperazine-1-carbonyl chloride hydrochloride,Cl.CN1CCN(CC1)C(=O)Cl,Cl.CN1CCN(CC1)C(=O)Cl,"InChI=1/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H",C6H11ClN2O.ClH,,,,,,WICNYNXYKZNNSN-UHFFFAOYSA-N,,,,,,,,,,,
100.054.065,259-491-7,55127-03-2,"Bismuth, compound with rubidium (1:3)",-,[RbH].[RbH].[RbH].[Bi],[RbH].[RbH].[RbH].[Bi],InChI=1/Bi.3Rb.3H/q+3;3*+1;;;/rBi.3HRb/h;3*1H/q+3;3*+1,Bi.Rb,,,,,,ZFTWJBUJTAJZTA-UHFFFAOYSA-N,,,,,,,,,,,
100.054.066,259-492-2,55130-16-0,Benzyl oleate,benzyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCc1ccccc1,CCCCCCCC\C=C/CCCCCCCC(=O)OCc1ccccc1,"InChI=1/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3",C25H40O2,,,,,,CGFITOCWTCRCSL-KTKRTIGZSA-N,,,,,,,,,,,
100.054.075,259-503-0,55154-34-2,1-amino-4-hydroxy-2-[4-(2-phenylethoxy)phenoxy]anthraquinone,"1-amino-4-hydroxy-2-[4-(2-phenylethoxy)phenoxy]-9,10-anthraquinone",Nc1c(Oc2ccc(OCCc3ccccc3)cc2)cc(O)c4C(=O)c5ccccc5C(=O)c14,Nc1c(Oc2ccc(OCCc3ccccc3)cc2)cc(O)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C28H21NO5/c29-26-23(16-22(30)24-25(26)28(32)21-9-5-4-8-20(21)27(24)31)34-19-12-10-18(11-13-19)33-15-14-17-6-2-1-3-7-17/h1-13,16,30H,14-15,29H2",C28H21NO5,,,,,,DMJUTUHSGONXGH-UHFFFAOYSA-N,,,,,,,,,,,
100.054.078,259-506-7,55154-67-1,"2,4,5-triisopropylphenol","2,4,5-triisopropylphenol",CC(C)c1cc(C(C)C)c(cc1O)C(C)C,CC(C)c1cc(C(C)C)c(cc1O)C(C)C,"InChI=1/C15H24O/c1-9(2)12-7-14(11(5)6)15(16)8-13(12)10(3)4/h7-11,16H,1-6H3",C15H24O,,,,,,MMALDENJQINSHY-UHFFFAOYSA-N,,,,,,,,,,,
100.054.082,259-510-9,55174-61-3,"3,4-dimethoxy-ß-methylphenethylamine","2-(3,4-dimethoxyphenyl)propan-1-amine",COc1ccc(cc1OC)C(C)CN,COc1ccc(cc1OC)C(C)CN,"InChI=1/C11H17NO2/c1-8(7-12)9-4-5-10(13-2)11(6-9)14-3/h4-6,8H,7,12H2,1-3H3",C11H17NO2,,,,,,RRARQHPQZWUMFW-UHFFFAOYSA-N,,,,,,,,,,,
100.054.084,259-513-5,55179-31-2,"ß-([1,1'-biphenyl]-4-yloxy)-a-tert-butyl-1H-1,2,4-triazol-1-ethanol","1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol",CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3,CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3,"InChI=1/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3",C20H23N3O2,,,,,,VGPIBGGRCVEHQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.309,257-559-0,51959-91-2,"1-benzoyl-N,N-dibutyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-dibutyl-5-oxoprolinamide",CCCCN(CCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,CCCCN(CCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C20H28N2O3/c1-3-5-14-21(15-6-4-2)20(25)17-12-13-18(23)22(17)19(24)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3",C20H28N2O3,,,,,,ZASBADBZECAFKT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.315,257-565-3,51971-64-3,"3,5-dichlorophthalic anhydride","4,6-dichloro-2-benzofuran-1,3-dione",Clc1cc(Cl)c2C(=O)OC(=O)c2c1,Clc1cc(Cl)c2C(=O)OC(=O)c2c1,InChI=1/C8H2Cl2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2H,C8H2Cl2O3,,,,,,HIOZXJLZFVEQCC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.317,257-567-4,51977-21-0,Ethyl thiazolidine-4-carboxylate,"ethyl 1,3-thiazolidine-4-carboxylate",CCOC(=O)C1CSCN1,CCOC(=O)C1CSCN1,"InChI=1/C6H11NO2S/c1-2-9-6(8)5-3-10-4-7-5/h5,7H,2-4H2,1H3",C6H11NO2S,,,,,,ZRBNETYZYOXTLS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.323,257-574-2,51981-33-0,5-chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium,"3-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate",Cc1oc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-],Cc1oc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-],"InChI=1/C11H12ClNO4S/c1-8-13(5-2-6-18(14,15)16)10-7-9(12)3-4-11(10)17-8/h3-4,7H,2,5-6H2,1H3",C11H12ClNO4S,,,,,,FGLWJZIQGDRVHX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.329,257-581-0,51988-14-8,"(S)-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) benzenecarbothioate","S-(5-sulfanyl-1,3,4-thiadiazol-2-yl) benzenecarbothioate",Sc1nnc(SC(=O)c2ccccc2)s1,Sc1nnc(SC(=O)c2ccccc2)s1,"InChI=1/C9H6N2OS3/c12-7(6-4-2-1-3-5-6)14-9-11-10-8(13)15-9/h1-5H,(H,10,13)",C9H6N2OS3,,,,,,KIFSWJVHFMQPOS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.963,278-082-4,75150-11-7,N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(2-cyanoethyl)allylamino]phenyl]acetamide,N-{5-[allyl(2-cyanoethyl)amino]-2-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}acetamide,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CC=C)CCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CC=C)CCC#N)[N+]([O-])=O,"InChI=1/C20H19ClN6O3/c1-3-10-26(11-4-9-22)15-5-8-19(20(13-15)23-14(2)28)25-24-18-7-6-16(27(29)30)12-17(18)21/h3,5-8,12-13H,1,4,10-11H2,2H3,(H,23,28)",C20H19ClN6O3,,,,,,DYIMGKAFJUUZKC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.967,278-087-1,75163-85-8,"5-oxo-DL-proline, compound with octadecylamine (1:1)",5-oxo-L-proline - octadecan-1-amine (1:1),CCCCCCCCCCCCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C18H39N.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-4-2-1-3(6-4)5(8)9/h2-19H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C18H39N.C5H7NO3,,,,,,YLLPDFAUFTZCAJ-HVDRVSQOSA-N,,,,,,,,,,,
100.070.972,278-092-9,75166-67-5,"1,9-dihydro-9-[1-(1-hydroxyethyl)heptyl]-6H-purin-6-one","9-[1-(1-hydroxyethyl)heptyl]-1,9-dihydro-6H-purin-6-one",CCCCCCC(C(C)O)n1cnc2C(=O)NC=Nc12,CCCCCCC(C(C)O)n1cnc2C(=O)NC=Nc12,"InChI=1/C14H22N4O2/c1-3-4-5-6-7-11(10(2)19)18-9-17-12-13(18)15-8-16-14(12)20/h8-11,19H,3-7H2,1-2H3,(H,15,16,20)",C14H22N4O2,,,,,,RSMDQPNZAPMDJC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.976,278-097-6,75195-63-0,Calcium bis[N2-(hydroxymethyl)-L-lysinate],calcium bis{6-amino-2-[(hydroxymethyl)amino]hexanoate},[Ca+2].NCCCC[C@H](NCO)C(=O)[O-].NCCCC[C@H](NCO)C(=O)[O-],[Ca+2].NCCCC[C@H](NCO)C(=O)[O-].NCCCC[C@H](NCO)C(=O)[O-],"InChI=1/2C7H16N2O3.Ca/c2*8-4-2-1-3-6(7(11)12)9-5-10;/h2*6,9-10H,1-5,8H2,(H,11,12);/q;;+2/p-2",C7H16N2O3.1/2Ca,,,,,,ZJJIYVSKPCNUNZ-UAIGZDOSSA-L,,,,,,,,,,,
100.070.977,278-098-1,75195-64-1,"Calcium bis[N2,N6-bis(hydroxymethyl)-L-lysinate]","calcium bis{2,6-bis[(hydroxymethyl)amino]hexanoate}",[Ca+2].OCNCCCC[C@H](NCO)C(=O)[O-].OCNCCCC[C@H](NCO)C(=O)[O-],[Ca+2].OCNCCCC[C@H](NCO)C(=O)[O-].OCNCCCC[C@H](NCO)C(=O)[O-],"InChI=1/2C8H18N2O4.Ca/c2*11-5-9-4-2-1-3-7(8(13)14)10-6-12;/h2*7,9-12H,1-6H2,(H,13,14);/q;;+2/p-2",C8H18N2O4.1/2Ca,,,,,,OPDNSFWVQSGAAG-UBKPKTQASA-L,,,,,,,,,,,
100.070.981,278-102-1,75198-92-4,"Disodium 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-{[2-({[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino}methyl)-4-methyl-6-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].COCCOc1nc(Cl)nc(NCc2cc(C)cc(c2Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-])n1,[Na+].[Na+].COCCOc1nc(Cl)nc(NCc2cc(C)cc(c2Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-])n1,"InChI=1/C28H25ClN6O10S2.2Na/c1-13-9-14(12-31-27-33-26(29)34-28(35-27)45-8-7-44-2)23(19(10-13)47(41,42)43)32-17-11-18(46(38,39)40)22(30)21-20(17)24(36)15-5-3-4-6-16(15)25(21)37;;/h3-6,9-11,32H,7-8,12,30H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,31,33,34,35);;/q;2*+1/p-2",C28H25ClN6O10S2.2Na,,,,,,PICWZTBMIQPVRH-UHFFFAOYSA-L,,,,,,,,,,,
100.070.983,278-104-2,75198-96-8,"2-[[4-(diethylamino)-2-methylphenyl]azo]-5-methylbenzene-1,3-dicarbonitrile",2-{[4-(diethylamino)-2-methylphenyl]diazenyl}-5-methylisophthalonitrile,CCN(CC)c2ccc(N=Nc1c(cc(C)cc1C#N)C#N)c(C)c2,CCN(CC)c2ccc(N=Nc1c(cc(C)cc1C#N)C#N)c(C)c2,"InChI=1/C20H21N5/c1-5-25(6-2)18-7-8-19(15(4)11-18)23-24-20-16(12-21)9-14(3)10-17(20)13-22/h7-11H,5-6H2,1-4H3",C20H21N5,,,,,,JZTRIZGUGUEXRN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.856,255-961-0,42832-47-3,Undec-1-en-3-one,undec-1-en-3-one,CCCCCCCCC(=O)C=C,CCCCCCCCC(=O)C=C,"InChI=1/C11H20O/c1-3-5-6-7-8-9-10-11(12)4-2/h4H,2-3,5-10H2,1H3",C11H20O,,,,,,ADDGAKQSFRASOV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.857,255-962-6,42835-25-6,Flumequine,"9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid",CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O,CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O,"InChI=1/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)",C14H12FNO3,,,,,,DPSPPJIUMHPXMA-UHFFFAOYSA-N,Positive,mzcloud:2127,[M+H]+,HCD_Averaged,244.0768:238.0499:220.0404:202.0299:192.0455:174.0350:154.0399:146.04006:126.0338:116.0494:102.0337:75.0229:53.00220,HighChem,,,,,
100.050.859,255-964-7,42839-13-4,3-(furfuryloxy)propiononitrile,3-(2-furylmethoxy)propanenitrile,N#CCCOCc1occc1,N#CCCOCc1occc1,"InChI=1/C8H9NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6H,2,5,7H2",C8H9NO2,,,,,,CPCXJCALJSWDQW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.864,255-969-4,42854-62-6,O-benzyl-L-alanine toluene-p-sulphonate,benzyl L-alaninate 4-methylbenzenesulfonate,C[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,C[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,"InChI=1/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)",C10H13NO2.C7H8O3S,,,,,,NWOPHJSSBMABBD-QRPNPIFTSA-N,,,,,,,,,,,
100.076.181,283-830-8,84731-71-5,1-(4-amino-3-fluoro-5-iodophenyl)ethan-1-one,1-(4-amino-3-fluoro-5-iodophenyl)ethanone,CC(=O)c1cc(F)c(N)c(I)c1,CC(=O)c1cc(F)c(N)c(I)c1,"InChI=1/C8H7FINO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3",C8H7FINO,,,,,,ISEGOHPEBBPFPY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.183,283-832-9,84731-73-7,4-allyl-2-methoxyphenyl 2-methylbutyrate,4-allyl-2-methoxyphenyl 2-methylbutanoate,CCC(C)C(=O)Oc1ccc(CC=C)cc1OC,CCC(C)C(=O)Oc1ccc(CC=C)cc1OC,"InChI=1/C15H20O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5,8-11H,1,6-7H2,2-4H3",C15H20O3,,,,,,SGAQPQHTGWRULN-UHFFFAOYSA-N,,,,,,,,,,,
100.076.190,283-840-2,84732-32-1,Lithium p-[[p-[[p-(diethylamino)phenyl]azo]phenyl]azo]benzenesulphonate,lithium 4-[(4-{[4-(diethylamino)phenyl]diazenyl}phenyl)diazenyl]benzenesulfonate,[Li+].CCN(CC)c1ccc(cc1)N=Nc3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3,[Li+].CCN(CC)c1ccc(cc1)N=Nc3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3,"InChI=1/C22H23N5O3S.Li/c1-3-27(4-2)21-13-9-19(10-14-21)25-23-17-5-7-18(8-6-17)24-26-20-11-15-22(16-12-20)31(28,29)30;/h5-16H,3-4H2,1-2H3,(H,28,29,30);/q;+1/p-1",C22H23N5O3S.Li,,,,,,XHJGMLSNEAAFDN-UHFFFAOYSA-M,,,,,,,,,,,
100.047.163,251-896-7,34246-54-3,m-ethylbenzaldehyde,3-ethylbenzaldehyde,CCc1cccc(C=O)c1,CCc1cccc(C=O)c1,"InChI=1/C9H10O/c1-2-8-4-3-5-9(6-8)7-10/h3-7H,2H2,1H3",C9H10O,,,,,,LLYXUFQXCNIGDG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.164,251-897-2,34255-45-3,3-ethyl-5-(piperidinomethylene)rhodanine,"3-ethyl-5-(piperidin-1-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one",O=C2C(=CN1CCCCC1)SC(=S)N2CC,O=C2C(=CN1CCCCC1)SC(=S)N2CC,"InChI=1/C11H16N2OS2/c1-2-13-10(14)9(16-11(13)15)8-12-6-4-3-5-7-12/h8H,2-7H2,1H3",C11H16N2OS2,,,,,,MIOJSHGZYGNCOI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.165,251-898-8,34255-87-3,Ammonium methyl phosphonate,ammonium methyl phosphonate,[NH4+].COP(=O)[O-],[NH4+].COP(=O)[O-],"InChI=1/CH5O3P.H3N/c1-4-5(2)3;/h5H,1H3,(H,2,3);1H3",CH5O3P.H3N,,,,,,UZKAATIIYHSRSM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.183,251-918-5,34284-28-1,"Methyl acetoacetate, monosodium salt",-,[Na+].COC(=O)CC(=O)C,[Na+].COC(=O)CC(=O)C,"InChI=1/C5H8O3.Na/c1-4(6)3-5(7)8-2;/h3H2,1-2H3;/q;+1",C5H7O3.Na,,,,,,NISIQXBDVJABPT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.198,251-934-2,34317-37-8,"3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridine-4-carbaldehyde, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)","(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate - 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (1:1)",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cc4ncc(COP(=O)(O)O)c(C=O)c4O,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cc4ncc(COP(=O)(O)O)c(C=O)c4O,"InChI=1/C20H21NO4.C8H10NO6P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h5-8,10-12H,9H2,1-4H3;2-3,11H,4H2,1H3,(H2,12,13,14)",C20H21NO4.C8H10NO6P,,,,,,VTJFMXLVZKZSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.205,251-942-6,34330-07-9,"4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonic acid","4-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N2C(=S)Nc3ccccc3C2=O,OS(=O)(=O)c1ccc(cc1)N2C(=S)Nc3ccccc3C2=O,"InChI=1/C14H10N2O4S2/c17-13-11-3-1-2-4-12(11)15-14(21)16(13)9-5-7-10(8-6-9)22(18,19)20/h1-8H,(H,15,21)(H,18,19,20)",C14H10N2O4S2,,,,,,AENMRVKTNNJRNW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.207,251-944-7,34332-96-2,p-nonylphenyl dihydrogen phosphate,4-nonylphenyl dihydrogen phosphate,CCCCCCCCCc1ccc(OP(=O)(O)O)cc1,CCCCCCCCCc1ccc(OP(=O)(O)O)cc1,"InChI=1/C15H25O4P/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19-20(16,17)18/h10-13H,2-9H2,1H3,(H2,16,17,18)",C15H25O4P,,,,,,BIUMPKSWMFBEOF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.789,277-892-5,74499-19-7,Potassium 4-(4-chloro-o-tolyloxy)butyrate,potassium 4-(4-chloro-2-methylphenoxy)butanoate,[K+].Cc1cc(Cl)ccc1OCCCC(=O)[O-],[K+].Cc1cc(Cl)ccc1OCCCC(=O)[O-],"InChI=1/C11H13ClO3.K/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;/h4-5,7H,2-3,6H2,1H3,(H,13,14);/q;+1/p-1",C11H13ClO3.K,,,,,,YBCBPGLPJRYHPG-UHFFFAOYSA-M,,,,,,,,,,,
100.072.808,280-112-6,83006-62-6,"Ammonium 4-[[9,10-dihydro-4-(methylamino)-9,10-dioxoanthryl]amino]toluene-3-sulphonate","ammonium 5-methyl-2-{[4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzenesulfonate",[NH4+].CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13,[NH4+].CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H18N2O5S.H3N/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25;/h3-11,23-24H,1-2H3,(H,27,28,29);1H3",C22H18N2O5S.H3N,,,,,,OWLQUTKWFDQXHP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.809,280-113-1,83006-63-7,Ammonium 6-[(4-aminophenyl)azo]-5-hydroxynaphthalene-1-sulphonate,ammonium 6-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate,[NH4+].[O-]S(=O)(=O)c3cccc2c3ccc(N=Nc1ccc(N)cc1)c2O,[NH4+].[O-]S(=O)(=O)c3cccc2c3ccc(N=Nc1ccc(N)cc1)c2O,"InChI=1/C16H13N3O4S.H3N/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23;/h1-9,20H,17H2,(H,21,22,23);1H3",C16H13N3O4S.H3N,,,,,,LXNOSKSMVWPBCO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.810,280-114-7,83006-65-9,"Ammonium 4-[[4-[benzyl(ethyl)amino]phenyl]azo]-2,5-dichlorobenzenesulphonate","ammonium 4-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-2,5-dichlorobenzenesulfonate",[NH4+].Clc3cc(c(Cl)cc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)S([O-])(=O)=O,[NH4+].Clc3cc(c(Cl)cc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)S([O-])(=O)=O,"InChI=1/C21H19Cl2N3O3S.H3N/c1-2-26(14-15-6-4-3-5-7-15)17-10-8-16(9-11-17)24-25-20-12-19(23)21(13-18(20)22)30(27,28)29;/h3-13H,2,14H2,1H3,(H,27,28,29);1H3",C21H19Cl2N3O3S.H3N,,,,,,PYDPZHUMQWNOQU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.813,280-117-3,83006-68-2,"Sodium 5-(tert-butyl)-2-[[4-[[4-(tert-butyl)phenyl]amino]-9,10-dihydro-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]benzenesulphonate","sodium 5-tert-butyl-2-({4-[(4-tert-butylphenyl)amino]-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)benzenesulfonate",[Na+].CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3S(=O)(=O)[O-])C(C)(C)C)c4C(=O)c5c(O)ccc(O)c5C(=O)c24)cc1,[Na+].CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3S(=O)(=O)[O-])C(C)(C)C)c4C(=O)c5c(O)ccc(O)c5C(=O)c24)cc1,"InChI=1/C34H34N2O7S.Na/c1-33(2,3)18-7-10-20(11-8-18)35-22-13-14-23(36-21-12-9-19(34(4,5)6)17-26(21)44(41,42)43)28-27(22)31(39)29-24(37)15-16-25(38)30(29)32(28)40;/h7-17,35-38H,1-6H3,(H,41,42,43);/q;+1/p-1",C34H34N2O7S.Na,,,,,,LYQIEAINLLYXME-UHFFFAOYSA-M,,,,,,,,,,,
100.070.168,277-208-5,73003-83-5,"Tetraphenylarsonium chloride, compound with hydrochloric acid (1:1)",tetraphenylarsonium chloride hydrochloride,Cl.[Cl-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4,Cl.[Cl-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C24H20As.2ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;/h1-20H;2*1H/q+1;;/p-1",C24H20As.ClH.Cl,,,,,,APNZVTSMUNHRHL-UHFFFAOYSA-M,,,,,,,,,,,
100.070.188,277-230-5,73019-04-2,"1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium methyl sulphate","1,3,3-trimethyl-2-{methyl[4-(phenyldiazenyl)phenyl]carbonohydrazonoyl}-3H-indolium methyl sulfate",[O-]S(=O)(=O)OC.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,[O-]S(=O)(=O)OC.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,"InChI=1/C25H26N5.CH4O4S/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-5-6(2,3)4/h5-18H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C25H26N5.CH3O4S,,,,,,ZHQCIGBHULHDOR-UHFFFAOYSA-M,,,,,,,,,,,
100.070.192,277-234-7,73019-14-4,"(E)-3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate","3,7-dimethylocta-2,6-dien-1-yl 2-ethylbutanoate",CCC(CC)C(=O)OC\\C=C(/C)\\CCC=C(C)C,CCC(CC)C(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C16H28O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3",C16H28O2,,,,,,PFVYLGTZGQUUOT-SDNWHVSQSA-N,,,,,,,,,,,
100.070.199,277-242-0,73037-34-0,Disodium oxybis[methylbenzenesulphonate],"disodium 3,3'-oxybis(2-methylbenzenesulfonate)",[Na+].[Na+].Cc1c(Oc2cccc(c2C)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],[Na+].[Na+].Cc1c(Oc2cccc(c2C)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],"InChI=1/C14H14O7S2.2Na/c1-9-11(5-3-7-13(9)22(15,16)17)21-12-6-4-8-14(10(12)2)23(18,19)20;;/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2",C14H14O7S2.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10605,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.199,MTLVLJDJVQXARV-UHFFFAOYSA-L,,,,,,,,,,,
100.052.301,257-550-1,51959-14-9,"4-(2,4-di-tert-pentylphenoxy)butylamine","4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butan-1-amine",CCC(C)(C)c1ccc(OCCCCN)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCCN)c(c1)C(C)(C)CC,"InChI=1/C20H35NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14,21H2,1-6H3",C20H35NO,,,,,,OZYOAOYHMMDTNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.303,257-552-2,51959-85-4,4-[(5-oxo-2-pyrrolidinyl)carbonyl]morpholine,5-(morpholin-4-ylcarbonyl)pyrrolidin-2-one,O=C(C1CCC(=O)N1)N2CCOCC2,O=C(C1CCC(=O)N1)N2CCOCC2,"InChI=1/C9H14N2O3/c12-8-2-1-7(10-8)9(13)11-3-5-14-6-4-11/h7H,1-6H2,(H,10,12)",C9H14N2O3,,,,,,WPDJMBAXQKFEOI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.312,257-562-7,51963-82-7,"2,5-diethoxy-4-morpholinoaniline","2,5-diethoxy-4-morpholin-4-ylaniline",CCOc1cc(N2CCOCC2)c(OCC)cc1N,CCOc1cc(N2CCOCC2)c(OCC)cc1N,"InChI=1/C14H22N2O3/c1-3-18-13-10-12(16-5-7-17-8-6-16)14(19-4-2)9-11(13)15/h9-10H,3-8,15H2,1-2H3",C14H22N2O3,,,,,,DDCBPJKVWMBNCC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.313,257-563-2,51965-61-8,2-(4-fluorophenyl)propiononitrile,2-(4-fluorophenyl)propanenitrile,CC(C#N)c1ccc(F)cc1,CC(C#N)c1ccc(F)cc1,"InChI=1/C9H8FN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3",C9H8FN,,,,,,JPTHCYFZRSLQMW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.756,252-547-1,35402-38-1,"Benzyl[3-[[9,10-dihydro-4-[isopropylamino]-9,10-dioxo-1-anthryl]amino]propyl]dimethylammonium chloride","N-benzyl-3-{[4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N,N-dimethylpropan-1-aminium chloride",[Cl-].CC(C)Nc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,[Cl-].CC(C)Nc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C29H33N3O2.ClH/c1-20(2)31-25-16-15-24(26-27(25)29(34)23-14-9-8-13-22(23)28(26)33)30-17-10-18-32(3,4)19-21-11-6-5-7-12-21;/h5-9,11-16,20H,10,17-19H2,1-4H3,(H-,30,31,33,34);1H",C29H34N3O2.Cl,,,,,,BIZUKZMQPYVJJF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.763,252-555-5,35418-16-7,tert-butyl 5-oxo-L-prolinate,tert-butyl 5-oxo-L-prolinate,CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1,CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C9H15NO3/c1-9(2,3)13-8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)",C9H15NO3,,,,,,QXGSPAGZWRTTOT-LURJTMIESA-N,,,,,,,,,,,
100.047.765,252-557-6,35430-91-2,"N,N'-dicyanoadipamide","N,N'-dicyanohexanediamide",O=C(CCCCC(=O)NC#N)NC#N,O=C(CCCCC(=O)NC#N)NC#N,"InChI=1/C8H10N4O2/c9-5-11-7(13)3-1-2-4-8(14)12-6-10/h1-4H2,(H,11,13)(H,12,14)",C8H10N4O2,,,,,,OOGWKDLNKRXYBA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.767,252-559-7,35436-73-8,N2-acetyl-DL-arginine,N~2~-acetyl-L-arginine,CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)",C8H16N4O3,,,,,,SNEIUMQYRCDYCH-LURJTMIESA-N,,,,,,,,,,,
100.047.769,252-561-8,35440-77-8,Strontium bis(2-mercaptopropionate),strontium bis(2-sulfanylpropanoate),[Sr+2].CC(S)C(=O)[O-].CC(S)C(=O)[O-],[Sr+2].CC(S)C(=O)[O-].CC(S)C(=O)[O-],"InChI=1/2C3H6O2S.Sr/c2*1-2(6)3(4)5;/h2*2,6H,1H3,(H,4,5);/q;;+2/p-2",C3H6O2S.1/2Sr,,,,,,UGGWBGCKROXODH-UHFFFAOYSA-L,,,,,,,,,,,
100.047.772,252-564-4,35441-14-6,"2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl acetate","2-({4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethyl acetate",CC(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3cc(Cl)c(Cl)cc3C,CC(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3cc(Cl)c(Cl)cc3C,"InChI=1/C20H20Cl2N2O4S/c1-13-11-18(21)19(22)12-17(13)20-7-8-24(23-20)15-3-5-16(6-4-15)29(26,27)10-9-28-14(2)25/h3-6,11-12H,7-10H2,1-2H3",C20H20Cl2N2O4S,,,,,,BPENLBNVXIQZEC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.774,252-567-0,35441-18-0,"2-[2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]ethyl(dimethyl)amine","2-[2-({4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-N,N-dimethylethanamine",CN(C)CCOCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3cc(Cl)c(Cl)cc3C,CN(C)CCOCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3cc(Cl)c(Cl)cc3C,"InChI=1/C22H27Cl2N3O3S/c1-16-14-20(23)21(24)15-19(16)22-8-9-27(25-22)17-4-6-18(7-5-17)31(28,29)13-12-30-11-10-26(2)3/h4-7,14-15H,8-13H2,1-3H3",C22H27Cl2N3O3S,,,,,,GVSKMWDMUCOLRO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.777,252-570-7,35445-70-6,[(phenylmethoxy)methoxy]methanol,[(benzyloxy)methoxy]methanol,OCOCOCc1ccccc1,OCOCOCc1ccccc1,"InChI=1/C9H12O3/c10-7-12-8-11-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2",C9H12O3,,,,,,POVJSJMXWVTKRR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.778,252-571-2,35445-71-7,[[(phenylmethoxy)methoxy]methoxy]methanol,{[(benzyloxy)methoxy]methoxy}methanol,OCOCOCOCc1ccccc1,OCOCOCOCc1ccccc1,"InChI=1/C10H14O4/c11-7-13-9-14-8-12-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2",C10H14O4,,,,,,VSPMOFKIMQJPCS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.788,252-582-2,35466-90-1,"Hexahydro-3,5,5-trimethyl-1H-azepine","3,5,5-trimethylazepane",CC1CNCCC(C)(C)C1,CC1CNCCC(C)(C)C1,"InChI=1/C9H19N/c1-8-6-9(2,3)4-5-10-7-8/h8,10H,4-7H2,1-3H3",C9H19N,,,,,,NJRGRJVSEHQKAM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.791,252-585-9,35471-49-9,Potassium 2-benzyl-4-chlorophenolate,potassium 2-benzyl-4-chlorophenolate,[K+].[O-]c1ccc(Cl)cc1Cc2ccccc2,[K+].[O-]c1ccc(Cl)cc1Cc2ccccc2,"InChI=1/C13H11ClO.K/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10;/h1-7,9,15H,8H2;/q;+1/p-1",C13H11ClO.K,,,,,,BRVHNHNUMVEFSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.047.793,252-588-5,35478-73-0,"N,N-diethylsulphanilic acid",4-(diethylamino)benzenesulfonic acid,CCN(CC)c1ccc(cc1)S(=O)(=O)O,CCN(CC)c1ccc(cc1)S(=O)(=O)O,"InChI=1/C10H15NO3S/c1-3-11(4-2)9-5-7-10(8-6-9)15(12,13)14/h5-8H,3-4H2,1-2H3,(H,12,13,14)",C10H15NO3S,,,,,,IVZFUJYJXUATPL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.796,252-591-1,35489-35-1,3-chloro-2-sulphopropionic acid,3-chloro-2-sulfopropanoic acid,OC(=O)C(CCl)S(=O)(=O)O,OC(=O)C(CCl)S(=O)(=O)O,"InChI=1/C3H5ClO5S/c4-1-2(3(5)6)10(7,8)9/h2H,1H2,(H,5,6)(H,7,8,9)",C3H5ClO5S,,,,,,XMHUEFKKTZWDNM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.945,254-958-1,40530-18-5,5-bromo-2-hydroxybenzonitrile,5-bromo-2-hydroxybenzonitrile,Oc1ccc(Br)cc1C#N,Oc1ccc(Br)cc1C#N,"InChI=1/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H",C7H4BrNO,,,,,,PVCONXMDUZOPJH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.946,254-959-7,40530-60-7,"2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]ethyl ethyl carbonate","2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl ethyl carbonate",CCOC(=O)OCCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,CCOC(=O)OCCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C19H17NO7/c1-2-25-19(24)27-8-7-26-13-9-12(21)14-15(16(13)20)18(23)11-6-4-3-5-10(11)17(14)22/h3-6,9,21H,2,7-8,20H2,1H3",C19H17NO7,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10046,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.946,GLVDLLVMSDGVDA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.994,278-116-8,75199-17-6,"Hexasodium 7,7'-[(2-hydroxypropane-1,3-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bisnaphthalene-1,3,6-trisulphonate","hexasodium 7,7'-[(2-hydroxypropane-1,3-diyl)bis{imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(carbamoylamino)-4,1-phenylene]diazene-2,1-diyl}]dinaphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)NCC(O)CNc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc7)nc(Cl)n8)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)NCC(O)CNc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc7)nc(Cl)n8)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C43H36Cl2N18O21S6.6Na/c44-36-54-40(58-42(56-36)50-19-1-3-26(28(9-19)52-38(46)65)60-62-30-13-24-17(7-34(30)89(79,80)81)5-22(85(67,68)69)11-32(24)87(73,74)75)48-15-21(64)16-49-41-55-37(45)57-43(59-41)51-20-2-4-27(29(10-20)53-39(47)66)61-63-31-14-25-18(8-35(31)90(82,83)84)6-23(86(70,71)72)12-33(25)88(76,77)78;;;;;;/h1-14,21,64H,15-16H2,(H3,46,52,65)(H3,47,53,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H2,48,50,54,56,58)(H2,49,51,55,57,59);;;;;;/q;6*+1/p-6",C43H36Cl2N18O21S6.6Na,,,,,,HEVSJAAQDPFOEQ-UHFFFAOYSA-H,,,,,,,,,,,
100.070.997,278-119-4,75199-20-1,"1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-5'-[[4-(phenylazo)phenyl]azo]-1,3'-bipyridinium chloride","6'-hydroxy-3,4'-dimethyl-2'-oxo-5'-{[4-(phenyldiazenyl)phenyl]diazenyl}-1',2'-dihydro-1,3'-bipyridinium dichloride",[Cl-].[Cl-].O=C4[NH2+]C(\\O)=C(\\N=Nc2ccc(N=Nc1ccccc1)cc2)C(\\C)=C4\\[n+]3cc(C)ccc3,[Cl-].[Cl-].O=C4[NH2+]C(\O)=C(\N=Nc2ccc(N=Nc1ccccc1)cc2)C(\C)=C4\[n+]3cc(C)ccc3,"InChI=1/C24H20N6O2.2ClH/c1-16-7-6-14-30(15-16)22-17(2)21(23(31)25-24(22)32)29-28-20-12-10-19(11-13-20)27-26-18-8-4-3-5-9-18;;/h3-15H,1-2H3,(H-,25,26,28,31,32);2*1H",C24H21N6O2.Cl,,,,,,YFDDDHSGJRONOY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.256,250-898-5,32014-22-5,Sodium a-bromo-p-toluenesulphonate,sodium 4-(bromomethyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(CBr)cc1,[Na+].[O-]S(=O)(=O)c1ccc(CBr)cc1,"InChI=1/C7H7BrO3S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5H2,(H,9,10,11);/q;+1/p-1",C7H7BrO3S.Na,,,,,,VUIRTEIRZXTTPR-UHFFFAOYSA-M,,,,,,,,,,,
100.046.257,250-899-0,32014-70-3,"Bis(5,6-diaminouracil) sulphate","5,6-diaminopyrimidine-2,4(1H,3H)-dione sulfate (2:1)",NC1=C(N)C(=O)NC(=O)N1.NC2=C(N)C(=O)NC(=O)N2.OS(=O)(=O)O,NC1=C(N)C(=O)NC(=O)N1.NC2=C(N)C(=O)NC(=O)N2.OS(=O)(=O)O,"InChI=1/2C4H6N4O2.H2O4S/c2*5-1-2(6)7-4(10)8-3(1)9;1-5(2,3)4/h2*5H2,(H4,6,7,8,9,10);(H2,1,2,3,4)",C4H6N4O2.xH2O4S,,,,,,OFZPGHXQOXIBIV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.258,250-900-4,32022-96-1,"Sodium 1,2-dihydro-2-thioxonaphth[1,2-d]oxazole-5-sulphonate","sodium 2-thioxo-1,2-dihydronaphtho[1,2-d][1,3]oxazole-5-sulfonate",[Na+].[O-]S(=O)(=O)c1cc2OC(=S)Nc2c3ccccc13,[Na+].[O-]S(=O)(=O)c1cc2OC(=S)Nc2c3ccccc13,"InChI=1/C11H7NO4S2.Na/c13-18(14,15)9-5-8-10(12-11(17)16-8)7-4-2-1-3-6(7)9;/h1-5H,(H,12,17)(H,13,14,15);/q;+1/p-1",C11H7NO4S2.Na,,,,,,VTOPJMTZIHCGLU-UHFFFAOYSA-M,,,,,,,,,,,
100.046.260,250-903-0,32042-43-6,DL-arginine hydrochloride,arginine hydrochloride,Cl.NC(CCCNC(=N)N)C(=O)O,Cl.NC(CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H",C6H14N4O2.xClH,,,,,,KWTQSFXGGICVPE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.265,250-908-8,32064-65-6,Benzylhydrazinium oxalate (1:1),-,N[NH2+]Cc1ccccc1.[O-]C(=O)C(=O)[O-],N[NH2+]Cc1ccccc1.[O-]C(=O)C(=O)[O-],"InChI=1/C7H10N2.C2H2O4/c8-9-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,9H,6,8H2;(H,3,4)(H,5,6)/p-1",C7H10N2.C2H2O4,,,,,,RCHUSXHCJLZTEY-UHFFFAOYSA-M,,,,,,,,,,,
100.046.274,250-918-2,32089-70-6,"2-[4-(2,2-dicyanovinyl)-N-ethyl-3-methylanilino]-1-(phenoxymethyl)ethyl carbanilate","2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}-1-(phenoxymethyl)ethyl phenylcarbamate",CCN(CC(COc1ccccc1)OC(=O)Nc2ccccc2)c3ccc(C=C(C#N)C#N)c(C)c3,CCN(CC(COc1ccccc1)OC(=O)Nc2ccccc2)c3ccc(C=C(C#N)C#N)c(C)c3,"InChI=1/C29H28N4O3/c1-3-33(26-15-14-24(22(2)16-26)17-23(18-30)19-31)20-28(21-35-27-12-8-5-9-13-27)36-29(34)32-25-10-6-4-7-11-25/h4-17,28H,3,20-21H2,1-2H3,(H,32,34)",C29H28N4O3,,,,,,ZBZJWLWVYZLFJA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.276,250-920-3,32093-35-9,"(S)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazoletriylium phosphate","6-phenylhexahydroimidazo[2,1-b][1,3]thiazoletriium phosphate",[O-]P(=O)([O-])[O-].C1C[NH+]2CC([NH2+][C@@H]2[SH+]1)c3ccccc3,[O-]P(=O)([O-])[O-].C1C[NH+]2CC([NH2+][C@@H]2[SH+]1)c3ccccc3,"InChI=1/C11H14N2S.H3O4P/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;1-5(2,3)4/h1-5,10-12H,6-8H2;(H3,1,2,3,4)",C11H12N2S.H3O4P,,,,,,ALZJNPBSFWBUEB-GQNCZFCYSA-N,,,,,,,,,,,
100.046.282,250-927-1,32120-16-4,2-(phosphonooxy)ethyl acrylate,2-(phosphonooxy)ethyl acrylate,OP(=O)(O)OCCOC(=O)C=C,OP(=O)(O)OCCOC(=O)C=C,"InChI=1/C5H9O6P/c1-2-5(6)10-3-4-11-12(7,8)9/h2H,1,3-4H2,(H2,7,8,9)",C5H9O6P,,,,,,UDXXYUDJOHIIDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.290,250-936-0,32159-21-0,"1-benzyl hydrogen (S)-5-oxopyrrolidine-1,2-dicarboxylate",1-[(benzyloxy)carbonyl]-5-oxo-L-proline,OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc2ccccc2,OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc2ccccc2,"InChI=1/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)",C13H13NO5,,,,,,VHSFUGXCSGOKJX-JTQLQIEISA-N,,,,,,,,,,,
100.046.294,250-940-2,32178-39-5,"2,5-diethoxy-4-(morpholin-4-yl)benzenediazonium hydrogen sulphate","2,5-diethoxy-4-morpholin-4-ylbenzenediazonium hydrogen sulfate",CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.[O-]S(=O)(=O)[O-],CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/C14H20N3O3.H2O4S/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;1-5(2,3)4/h9-10H,3-8H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2",C14H20N3O3.HO4S,,,,,,OONVERUZTDGMRD-UHFFFAOYSA-L,,,,,,,,,,,
100.070.792,277-895-1,74499-58-4,"4,7,7-trimethyl-2-(3-methyl-2-butenyl)bicyclo[4.1.0]heptan-3-one","4,7,7-trimethyl-2-(3-methylbut-2-en-1-yl)bicyclo[4.1.0]heptan-3-one",CC1CC2C(C(CC=C(C)C)C1=O)C2(C)C,CC1CC2C(C(CC=C(C)C)C1=O)C2(C)C,"InChI=1/C15H24O/c1-9(2)6-7-11-13-12(15(13,4)5)8-10(3)14(11)16/h6,10-13H,7-8H2,1-5H3",C15H24O,,,,,,HCRHVSPDKOSFIT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.798,277-901-2,74509-79-8,5-[ethyl(2-hydroxyethyl)amino]pentan-2-one,5-[ethyl(2-hydroxyethyl)amino]pentan-2-one,CCN(CCO)CCCC(=O)C,CCN(CCO)CCCC(=O)C,"InChI=1/C9H19NO2/c1-3-10(7-8-11)6-4-5-9(2)12/h11H,3-8H2,1-2H3",C9H19NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18805,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.798,QZNLTZOIQGUVGO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.802,277-905-4,74514-25-3,"3,7-dimethylocta-1,3,6-trien-1-yl acetate","3,7-dimethylocta-1,3,6-trien-1-yl acetate",C/C(C)=C\\CC=C(C)C=COC(C)=O,C/C(C)=C\CC=C(C)C=COC(C)=O,"InChI=1/C12H18O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6-9H,5H2,1-4H3",C12H18O2,,,,,,ITCDJGPMQHIRKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.804,277-908-0,74525-39-6,"Potassium 4-hydroxy-3,5-dinitrobenzenesulphonate","potassium 4-hydroxy-3,5-dinitrobenzenesulfonate",[K+].Oc1c(cc(cc1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-],[K+].Oc1c(cc(cc1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O8S.K/c9-6-4(7(10)11)1-3(17(14,15)16)2-5(6)8(12)13;/h1-2,9H,(H,14,15,16);/q;+1/p-1",C6H4N2O8S.K,,,,,,IUXWFWUIVRTCNK-UHFFFAOYSA-M,,,,,,,,,,,
100.070.805,277-909-6,74525-52-3,Pentyl phenoxyacetate,pentyl phenoxyacetate,CCCCCOC(=O)COc1ccccc1,CCCCCOC(=O)COc1ccccc1,"InChI=1/C13H18O3/c1-2-3-7-10-15-13(14)11-16-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3",C13H18O3,,,,,,ALEKBMQVKFWMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.806,277-910-1,74530-56-6,tert-butyl 4-chloro-3-oxobutyrate,tert-butyl 4-chloro-3-oxobutanoate,CC(C)(C)OC(=O)CC(=O)CCl,CC(C)(C)OC(=O)CC(=O)CCl,"InChI=1/C8H13ClO3/c1-8(2,3)12-7(11)4-6(10)5-9/h4-5H2,1-3H3",C8H13ClO3,,,,,,DVOUIKQENBFPRS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.809,277-913-8,74536-44-0,"5-oxo-L-proline, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)","5-oxo-L-proline - 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (1:1)",Cc1ncc(CO)c(CO)c1O.OC(=O)[C@@H]2CCC(=O)N2,Cc1ncc(CO)c(CO)c1O.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C8H11NO3.C5H7NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4-2-1-3(6-4)5(8)9/h2,10-12H,3-4H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C8H11NO3.C5H7NO3,,,,,,RYKKQQUKJJGFMN-HVDRVSQOSA-N,,,,,,,,,,,
100.070.815,277-920-6,74549-16-9,2-propylpent-4-enal,2-propylpent-4-enal,CCCC(CC=C)C=O,CCCC(CC=C)C=O,"InChI=1/C8H14O/c1-3-5-8(7-9)6-4-2/h3,7-8H,1,4-6H2,2H3",C8H14O,,,,,,KCZBNTGSHQURPY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.819,277-924-8,74563-66-9,Tin dilinoleate,-,[Sn+4].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Sn+4].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H32O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+4/p-2",C18H32O2.1/2Sn,,,,,,BRWZNMSSZCBVDZ-GRVYQHKQSA-L,,,,,,,,,,,
100.070.820,277-925-3,74563-70-5,Strontium diricinoleate,strontium bis(12-hydroxyoctadec-9-enoate),[Sr+2].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-],[Sr+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O3.Sr/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H34O3.1/2Sr,,,,,,QVFDRFNFMDYLGL-GNNYBVKZSA-L,,,,,,,,,,,
100.070.825,277-931-6,74586-09-7,1-[(methylthio)methyl]ethyl acetate,1-methyl-2-(methylsulfanyl)ethyl acetate,CSCC(C)OC(=O)C,CSCC(C)OC(=O)C,"InChI=1/C6H12O2S/c1-5(4-9-3)8-6(2)7/h5H,4H2,1-3H3",C6H10O3S,,,,,,LBCAETHUZLOBSW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.830,277-936-3,74620-20-5,"N,N'-(2,5-dimethyl-1,4-phenylene)bis[2-[(2,4-dichlorophenyl)azo]-3-oxobutyramide]","N,N'-(2,5-dimethyl-1,4-phenylene)bis{2-[(2,4-dichlorophenyl)diazenyl]-3-oxobutanamide}",Clc3cc(Cl)ccc3N=NC(C(C)=O)C(=O)Nc2cc(C)c(NC(=O)C(N=Nc1ccc(Cl)cc1Cl)C(C)=O)cc2C,Clc3cc(Cl)ccc3N=NC(C(C)=O)C(=O)Nc2cc(C)c(NC(=O)C(N=Nc1ccc(Cl)cc1Cl)C(C)=O)cc2C,"InChI=1/C28H24Cl4N6O4/c1-13-9-24(34-28(42)26(16(4)40)38-36-22-8-6-18(30)12-20(22)32)14(2)10-23(13)33-27(41)25(15(3)39)37-35-21-7-5-17(29)11-19(21)31/h5-12,25-26H,1-4H3,(H,33,41)(H,34,42)",C28H24Cl4N6O4,,,,,,AGWFOGQTVYBHTM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.874,255-980-4,42872-29-7,3-(1-cyanoethyl)benzoyl chloride,3-(1-cyanoethyl)benzoyl chloride,CC(C#N)c1cccc(c1)C(=O)Cl,CC(C#N)c1cccc(c1)C(=O)Cl,"InChI=1/C10H8ClNO/c1-7(6-12)8-3-2-4-9(5-8)10(11)13/h2-5,7H,1H3",C10H8ClNO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12499,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.874,XXQNFMGCPMJJSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.375,257-631-1,52061-75-3,"2,2-dipropylvaleric acid","2,2-dipropylpentanoic acid",CCCC(CCC)(CCC)C(=O)O,CCCC(CCC)(CCC)C(=O)O,"InChI=1/C11H22O2/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-9H2,1-3H3,(H,12,13)",C11H22O2,,,,,,UMJGAWHIMHSGMU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.376,257-632-7,52062-92-7,4-(2-bromoethyl)benzoic acid,4-(2-bromoethyl)benzoic acid,OC(=O)c1ccc(CCBr)cc1,OC(=O)c1ccc(CCBr)cc1,"InChI=1/C9H9BrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)",C9H9BrO2,,,,,,BKMRWJWLBHHGCF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.314,257-564-8,51966-13-3,"Dodecahydro-4,7-methano-2,3,8-methenocyclopent[a]indene","hexacyclo[9.2.1.0~2,10~.0~3,8~.0~4,6~.0~5,9~]tetradecane (non-preferred name)",C1CC2CC1C3C2C4C5CC6C4C6C35,C1CC2CC1C3C2C4C5CC6C4C6C35,"InChI=1/C14H18/c1-2-6-3-5(1)9-10(6)12-7-4-8-13(11(7)9)14(8)12/h5-14H,1-4H2",C14H18,,,,,,YBNSWVHWZLAYSU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.319,257-570-0,51980-54-2,4-(1-pyrrolidinyl)benzaldehyde,4-pyrrolidin-1-ylbenzaldehyde,O=Cc1ccc(cc1)N2CCCC2,O=Cc1ccc(cc1)N2CCCC2,"InChI=1/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2",C11H13NO,,,,,,DATXHLPRESKQJK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.320,257-571-6,51980-59-7,3-methoxypropanesulphonic acid,3-methoxypropane-1-sulfonic acid,COCCCS(=O)(=O)O,COCCCS(=O)(=O)O,"InChI=1/C4H10O4S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3,(H,5,6,7)",C4H10O4S,,,,,,WVDJPYPEWMFJLV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.326,257-577-9,51986-04-0,"Ethyl 5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylate S,S-dioxide","ethyl 1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-hydroxy-1H-pyrazole-3-carboxylate",CCOC(=O)c1cc(O)n(n1)C2CCS(=O)(=O)C2,CCOC(=O)c1cc(O)n(n1)C2CCS(=O)(=O)C2,"InChI=1/C10H14N2O5S/c1-2-17-10(14)8-5-9(13)12(11-8)7-3-4-18(15,16)6-7/h5,7,13H,2-4,6H2,1H3",C10H14N2O5S,,,,,,CARZZYHQSCIFHG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.333,257-585-2,51988-28-4,"N,N-diethyl-2'-methylspiro[2H-1-benzopyran-2,3'-[3H]naphtho[2,1-b]pyran]-7-amine","N,N-diethyl-2-methylspiro[benzo[f]chromene-3,2'-chromen]-7'-amine",CCN(CC)c1ccc2C=CC3(Oc4ccc5ccccc5c4C=C3C)Oc2c1,CCN(CC)c1ccc2C=CC3(Oc4ccc5ccccc5c4C=C3C)Oc2c1,"InChI=1/C26H25NO2/c1-4-27(5-2)21-12-10-20-14-15-26(29-25(20)17-21)18(3)16-23-22-9-7-6-8-19(22)11-13-24(23)28-26/h6-17H,4-5H2,1-3H3",C26H25NO2,,,,,,REHJAYRQNDAEBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.338,257-591-5,51994-16-2,"4-hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3(2H)-one","4-hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3(2H)-one",CCCC(O)C1(C)OC(=C(O)C1=O)C,CCCC(O)C1(C)OC(=C(O)C1=O)C,"InChI=1/C10H16O4/c1-4-5-7(11)10(3)9(13)8(12)6(2)14-10/h7,11-12H,4-5H2,1-3H3",C10H16O4,,,,,,NOYLNCIBDODDPI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.339,257-592-0,51996-59-9,"Calcium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate","calcium bis{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate}",[Ca+2].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2.CN(CS(=O)(=O)[O-])C3=C(C)N(C)N(C3=O)c4ccccc4,[Ca+2].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2.CN(CS(=O)(=O)[O-])C3=C(C)N(C)N(C3=O)c4ccccc4,"InChI=1/2C13H17N3O4S.Ca/c2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h2*4-8H,9H2,1-3H3,(H,18,19,20);/q;;+2/p-2",C13H17N3O4S.1/2Ca,,,,,,XKZGUGAVQVMMAD-UHFFFAOYSA-L,,,,,,,,,,,
100.070.964,278-084-5,75150-13-9,"[(2,4-dibromo-6-methylphenoxy)methyl]oxirane","2-[(2,4-dibromo-6-methylphenoxy)methyl]oxirane",Cc1cc(Br)cc(Br)c1OCC2CO2,Cc1cc(Br)cc(Br)c1OCC2CO2,"InChI=1/C10H10Br2O2/c1-6-2-7(11)3-9(12)10(6)14-5-8-4-13-8/h2-3,8H,4-5H2,1H3",C10H10Br2O2,,,,,,XQTJZNGNEJLXTR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.966,278-086-6,75150-23-1,"N-[3-(dimethylamino)-2,2-dimethylpropyl]methacrylamide","N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylacrylamide",CN(C)CC(C)(C)CNC(=O)C(=C)C,CN(C)CC(C)(C)CNC(=O)C(=C)C,"InChI=1/C11H22N2O/c1-9(2)10(14)12-7-11(3,4)8-13(5)6/h1,7-8H2,2-6H3,(H,12,14)",C11H22N2O,,,,,,BYXHXBCFNMHZGY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.968,278-088-7,75163-86-9,"5-oxo-DL-proline, compound with dodecylamine (1:1)",5-oxo-L-proline - dodecan-1-amine (1:1),CCCCCCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C12H27N.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13;7-4-2-1-3(6-4)5(8)9/h2-13H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C12H27N.C5H7NO3,,,,,,WXHWSZHFVGYRGP-HVDRVSQOSA-N,,,,,,,,,,,
100.070.969,278-089-2,75163-87-0,"5-oxo-DL-proline, compound with octylamine (1:1)",5-oxo-L-proline - octan-1-amine (1:1),CCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H19N.C5H7NO3/c1-2-3-4-5-6-7-8-9;7-4-2-1-3(6-4)5(8)9/h2-9H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C8H19N.C5H7NO3,,,,,,SSILCEGNLIKBGY-HVDRVSQOSA-N,,,,,,,,,,,
100.070.970,278-090-8,75164-73-7,Tridecyl oleate,tridecyl octadec-9-enoate,CCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C31H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17H,3-15,18-30H2,1-2H3",C31H60O2,,,,,,ORLIFRJRAMADMX-MSUUIHNZSA-N,,,,,,,,,,,
100.070.971,278-091-3,75166-64-2,3-aminononan-2-ol,3-aminononan-2-ol,CCCCCCC(N)C(C)O,CCCCCCC(N)C(C)O,"InChI=1/C9H21NO/c1-3-4-5-6-7-9(10)8(2)11/h8-9,11H,3-7,10H2,1-2H3",C9H21NO,,,,,,SKURPTBUALFOED-UHFFFAOYSA-N,,,,,,,,,,,
100.049.948,254-961-8,40533-68-4,"[2-(1-hydroxyethyl)-2-methyl-1,3-dioxolan-4-yl]methyl butyrate","[2-(1-hydroxyethyl)-2-methyl-1,3-dioxolan-4-yl]methyl butyrate",CCCC(=O)OCC1COC(C)(O1)C(C)O,CCCC(=O)OCC1COC(C)(O1)C(C)O,"InChI=1/C11H20O5/c1-4-5-10(13)14-6-9-7-15-11(3,16-9)8(2)12/h8-9,12H,4-7H2,1-3H3",C11H20O5,,,,,,LYNCVFJUAUWEAM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.952,254-966-5,40538-81-6,"N'-[2-(dimethylamino)ethyl]-N,N-dimethylethylenediamine","N'-[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine",CN(C)CCNCCN(C)C,CN(C)CCNCCN(C)C,"InChI=1/C8H21N3/c1-10(2)7-5-9-6-8-11(3)4/h9H,5-8H2,1-4H3",C8H21N3,,,,,,JPJMSWSYYHNPLD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.955,254-969-1,40550-12-7,"2-chloro-N,N,N',N'-tetramethylpropane-1,3-diamine","2-chloro-N,N,N',N'-tetramethylpropane-1,3-diamine",CN(C)CC(Cl)CN(C)C,CN(C)CC(Cl)CN(C)C,"InChI=1/C7H17ClN2/c1-9(2)5-7(8)6-10(3)4/h7H,5-6H2,1-4H3",C7H17ClN2,,,,,,SCMRSXYMRBPCRB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.967,254-982-2,40583-17-3,"4-hydroxybutyl (2,4,5-trichlorophenoxy)acetate","4-hydroxybutyl (2,4,5-trichlorophenoxy)acetate",OCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,OCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C12H13Cl3O4/c13-8-5-10(15)11(6-9(8)14)19-7-12(17)18-4-2-1-3-16/h5-6,16H,1-4,7H2",C12H13Cl3O4,,,,,,VXWTVROLUSKWJR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.968,254-983-8,40588-62-3,Hexapotassium [nitrilotris(methylene)]trisphosphonate,hexapotassium [nitrilotris(methylene)]tris(phosphonate),[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.6K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6",C3H12NO9P3.6K,,,,,,DKPHLYCEFBDQKM-UHFFFAOYSA-H,,,,,,,,,,,
100.049.976,254-992-7,40596-46-1,2-octyldodecanoic acid,2-octyldodecanoic acid,CCCCCCCCCCC(CCCCCCCC)C(=O)O,CCCCCCCCCCC(CCCCCCCC)C(=O)O,"InChI=1/C20H40O2/c1-3-5-7-9-11-12-14-16-18-19(20(21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,21,22)",C20H40O2,,,,,,KUIYXYIWGVFQPD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.985,255-002-6,40615-36-9,"1,1'-(chlorophenylmethylene)bis[4-methoxybenzene]","1,1'-[chloro(phenyl)methylene]bis(4-methoxybenzene)",COc1ccc(cc1)C(Cl)(c2ccccc2)c3ccc(OC)cc3,COc1ccc(cc1)C(Cl)(c2ccccc2)c3ccc(OC)cc3,"InChI=1/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3",C21H19ClO2,,,,,,JBWYRBLDOOOJEU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.986,255-003-1,40615-39-2,"5'-O-(p,p'-dimethoxytrityl)thymidine",5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]thymidine,COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)(c4ccccc4)c5ccc(OC)cc5,COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)(c4ccccc4)c5ccc(OC)cc5,"InChI=1/C31H32N2O7/c1-20-18-33(30(36)32-29(20)35)28-17-26(34)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28,34H,17,19H2,1-3H3,(H,32,35,36)",C31H32N2O7,,,,,,UBTJZUKVKGZHAD-UPRLRBBYSA-N,,,,,,,,,,,
100.049.621,254-603-0,39718-75-7,Methyl 2-[4-[(2-methylallyl)amino]phenyl]propionate hydrochloride,methyl 2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propanoate hydrochloride,Cl.COC(=O)C(C)c1ccc(NCC(=C)C)cc1,Cl.COC(=O)C(C)c1ccc(NCC(=C)C)cc1,"InChI=1/C14H19NO2.ClH/c1-10(2)9-15-13-7-5-12(6-8-13)11(3)14(16)17-4;/h5-8,11,15H,1,9H2,2-4H3;1H",C14H19NO2.ClH,,,,,,PHVWUROLUDROQP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.126,256-257-6,46170-85-8,"6-tert-butyl-2,3-xylenol","6-tert-butyl-2,3-dimethylphenol",Cc1ccc(c(O)c1C)C(C)(C)C,Cc1ccc(c(O)c1C)C(C)(C)C,"InChI=1/C12H18O/c1-8-6-7-10(12(3,4)5)11(13)9(8)2/h6-7,13H,1-5H3",C12H18O,,,,,,SIINAHBZNVOMMM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.134,256-266-5,46365-22-4,"(1S-endo)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulphonic acid","4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid",CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2S(=O)(=O)O,CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2S(=O)(=O)O,"InChI=1/C10H16O4S/c1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h6-7H,4-5H2,1-3H3,(H,12,13,14)",C10H16O4S,,,,,,LKTRVKICUSKZGA-FWWHASMVSA-N,,,,,,,,,,,
100.051.140,256-272-8,46498-17-3,"9-methyl-9H-carbazole-3,6-diamine","9-methyl-9H-carbazole-3,6-diamine",Cn1c2ccc(N)cc2c3cc(N)ccc13,Cn1c2ccc(N)cc2c3cc(N)ccc13,"InChI=1/C13H13N3/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)16/h2-7H,14-15H2,1H3",C13H13N3,,,,,,KPIAHQAOODFLBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.141,256-273-3,46503-52-0,"1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one","1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone",Clc1ccc(C(=O)Cn2ccnc2)c(Cl)c1,Clc1ccc(C(=O)Cn2ccnc2)c(Cl)c1,"InChI=1/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2",C11H8Cl2N2O,,,,,,YAEYBUZMILPYLT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.143,256-275-4,46728-75-0,Lithium dihydrogen 5-sulphonatoisophthalate,lithium dihydrogen 5-sulfonatoisophthalate,[Li+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)[O-],[Li+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)[O-],"InChI=1/C8H6O7S.Li/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-3",C8H6O7S.Li,,,,,,GGKPBCOOXDBLLG-UHFFFAOYSA-K,,,,,,,,,,,
100.051.144,256-277-5,46729-07-1,"4-(1,1-dimethylethyl)cyclohexyl methacrylate",4-tert-butylcyclohexyl methacrylate,CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C,CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C,"InChI=1/C14H24O2/c1-10(2)13(15)16-12-8-6-11(7-9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3",C14H24O2,,,,,,PILKNUBLAZTESB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.296,250-942-3,32180-65-7,"4-[2-(2,5-dimethoxyphenyl)vinyl]aniline","4-[2-(2,5-dimethoxyphenyl)vinyl]aniline",COc1ccc(OC)c(\\C=C\\c2ccc(N)cc2)c1,COc1ccc(OC)c(\C=C\c2ccc(N)cc2)c1,"InChI=1/C16H17NO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,17H2,1-2H3",C16H17NO2,,,,,,OZGXSMOLBWHIQA-ZZXKWVIFSA-N,,,,,,,,,,,
100.046.299,250-946-5,32183-13-4,"1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile","1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile",Cc1nn(C)c(C#N)c1[N+](=O)[O-],Cc1nn(C)c(C#N)c1[N+](=O)[O-],InChI=1/C6H6N4O2/c1-4-6(10(11)12)5(3-7)9(2)8-4/h1-2H3,C6H6N4O2,,,,,,HYSDHMFCQHHFGV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.346,257-599-9,52009-14-0,Calcium pyruvate,calcium bis(2-oxopropanoate),[Ca+2].CC(=O)C(=O)[O-].CC(=O)C(=O)[O-],[Ca+2].CC(=O)C(=O)[O-].CC(=O)C(=O)[O-],"InChI=1/2C3H4O3.Ca/c2*1-2(4)3(5)6;/h2*1H3,(H,5,6);/q;;+2/p-2",C3H4O3.1/2Ca,,,,,,UZWMCCLZMHPPKW-UHFFFAOYSA-L,,,,,,,,,,,
100.052.348,257-601-8,52009-50-4,Calcium phenylglyoxylate,calcium bis[oxo(phenyl)acetate],[Ca+2].[O-]C(=O)C(=O)c1ccccc1.[O-]C(=O)C(=O)c2ccccc2,[Ca+2].[O-]C(=O)C(=O)c1ccccc1.[O-]C(=O)C(=O)c2ccccc2,"InChI=1/2C8H6O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5H,(H,10,11);/q;;+2/p-2",C8H6O3.1/2Ca,,,,,,ANCMHDZMDGOGAX-UHFFFAOYSA-L,,,,,,,,,,,
100.052.351,257-604-4,52013-82-8,"Ethyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate","ethyl 8-ethyl-2-(methylsulfanyl)-5-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate",CCOC(=O)C1CN(CC)c2nc(SC)ncc2C1=O,CCOC(=O)C1CN(CC)c2nc(SC)ncc2C1=O,"InChI=1/C13H17N3O3S/c1-4-16-7-9(12(18)19-5-2)10(17)8-6-14-13(20-3)15-11(8)16/h6,9H,4-5,7H2,1-3H3",C13H17N3O3S,,,,,,FVWILZVHZREXKA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.358,257-612-8,52023-48-0,2-mercaptopteridin-4-ol,2-sulfanylpteridin-4-ol,Oc1nc(S)nc2nccnc12,Oc1nc(S)nc2nccnc12,"InChI=1/C6H4N4OS/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)",C6H4N4OS,,,,,,VSPCYUNOZPCHLL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.367,257-622-2,52033-74-6,Phenylhydrazinium sulphate (2:1),bis(phenyldiazanium) sulfate,N[NH2+]c1ccccc1.N[NH2+]c2ccccc2.[O-]S(=O)(=O)[O-],N[NH2+]c1ccccc1.N[NH2+]c2ccccc2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H8N2.H2O4S/c2*7-8-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5,8H,7H2;(H2,1,2,3,4)",C6H8N2.1/2H2O4S,,,,,,GSKCKIQJTWVQLR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.372,257-628-5,52057-53-1,"(tricyclo[3.3.1.13,7]decane-1,3-diyldiethane-2,1-diylbis[trichlorosilane]","(tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiethane-2,1-diyl)bis(trichlorosilane)",Cl[Si](Cl)(Cl)CCC12CC3CC(CC(CC[Si](Cl)(Cl)Cl)(C3)C1)C2,Cl[Si](Cl)(Cl)CCC12CC3CC(CC(CC[Si](Cl)(Cl)Cl)(C3)C1)C2,"InChI=1/C14H22Cl6Si2/c15-21(16,17)3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-22(18,19)20/h11-12H,1-10H2",C14H22Cl6Si2,,,,,,FBAPGRJUUVOMGN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.878,259-286-2,54664-97-0,"(Z,Z)-tetradeca-9,11-dienyl acetate","tetradeca-9,11-dien-1-yl acetate",CC\\C=C/C=C\\CCCCCCCCOC(=O)C,CC\C=C/C=C\CCCCCCCCOC(=O)C,"InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3",C16H28O2,,,,,,RFEQLTBBKNKGGJ-RZSVFLSASA-N,,,,,,,,,,,
100.053.879,259-287-8,54664-98-1,"(E,E)-tetradeca-9,11-dienyl acetate","tetradeca-9,11-dien-1-yl acetate",CC\\C=C\\C=C\\CCCCCCCCOC(=O)C,CC\C=C\C=C\CCCCCCCCOC(=O)C,"InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3",C16H28O2,,,,,,RFEQLTBBKNKGGJ-YTXTXJHMSA-N,,,,,,,,,,,
100.053.885,259-294-6,54687-44-4,"m-[(ethylphenylamino)methyl]-N,N-dimethylbenzenesulphonamide","3-{[ethyl(phenyl)amino]methyl}-N,N-dimethylbenzenesulfonamide",CCN(Cc1cccc(c1)S(=O)(=O)N(C)C)c2ccccc2,CCN(Cc1cccc(c1)S(=O)(=O)N(C)C)c2ccccc2,"InChI=1/C17H22N2O2S/c1-4-19(16-10-6-5-7-11-16)14-15-9-8-12-17(13-15)22(20,21)18(2)3/h5-13H,4,14H2,1-3H3",C17H22N2O2S,,,,,,VBSRQOCTUKZSHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.627,279-913-3,82191-15-9,2-imino-a-(m-nitrophenyl)thiazolidin-3-ethanol,"2-(2-imino-1,3-thiazolidin-3-yl)-1-(3-nitrophenyl)ethanol",OC(CN1CCSC1=N)c2cccc(c2)[N+](=O)[O-],OC(CN1CCSC1=N)c2cccc(c2)[N+](=O)[O-],"InChI=1/C11H13N3O3S/c12-11-13(4-5-18-11)7-10(15)8-2-1-3-9(6-8)14(16)17/h1-3,6,10,12,15H,4-5,7H2",C11H13N3O3S,,,,,,HUXFDEDCBFPIJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.628,279-914-9,82199-12-0,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(2-methoxyphenyl)azo]-3-oxobutyramide","2-[(2-methoxyphenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",CC(=O)C(N=Nc1ccccc1OC)C(=O)Nc2ccc3NC(=O)Nc3c2,CC(=O)C(N=Nc1ccccc1OC)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C18H17N5O4/c1-10(24)16(23-22-13-5-3-4-6-15(13)27-2)17(25)19-11-7-8-12-14(9-11)21-18(26)20-12/h3-9,16H,1-2H3,(H,19,25)(H2,20,21,26)",C18H17N5O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5446,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.628,BWCSCOGVOJAQRL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.633,279-920-1,82206-29-9,2-[(2-cyanoethyl)phenylamino]ethyl phenoxyacetate,2-[(2-cyanoethyl)(phenyl)amino]ethyl phenoxyacetate,O=C(COc1ccccc1)OCCN(CCC#N)c2ccccc2,O=C(COc1ccccc1)OCCN(CCC#N)c2ccccc2,"InChI=1/C19H20N2O3/c20-12-7-13-21(17-8-3-1-4-9-17)14-15-23-19(22)16-24-18-10-5-2-6-11-18/h1-6,8-11H,7,13-16H2",C19H20N2O3,,,,,,IUUVJKBIGNPNMT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.392,257-650-5,52084-84-1,2-amino-5-(aminomethyl)naphthalene-1-sulphonic acid,2-amino-5-(aminomethyl)naphthalene-1-sulfonic acid,NCc1cccc2c(c(N)ccc12)S(=O)(=O)O,NCc1cccc2c(c(N)ccc12)S(=O)(=O)O,"InChI=1/C11H12N2O3S/c12-6-7-2-1-3-9-8(7)4-5-10(13)11(9)17(14,15)16/h1-5H,6,12-13H2,(H,14,15,16)",C11H12N2O3S,,,,,,KTVWISLTJPDQQX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.397,257-655-2,52089-55-1,Ethyl 2-hydroxyhexanoate,ethyl 2-hydroxyhexanoate,CCCCC(O)C(=O)OCC,CCCCC(O)C(=O)OCC,"InChI=1/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3",C8H16O3,,,,,,MRYSSTRVUMCKKB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.402,257-661-5,52099-72-6,"1,3-dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one","1-isopropenyl-1,3-dihydro-2H-benzimidazol-2-one",CC(=C)N1C(=O)Nc2ccccc12,CC(=C)N1C(=O)Nc2ccccc12,"InChI=1/C10H10N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,1H2,2H3,(H,11,13)",C10H10N2O,,,,,,XFASJWLBXHWUMW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.409,257-668-3,52117-16-5,3-bromo-N-(4-bromophenyl)-5-chloro-2-hydroxybenzenecarboximidoyl chloride,3-bromo-N-(4-bromophenyl)-5-chloro-2-hydroxybenzenecarboximidoyl chloride,Oc1c(cc(Cl)cc1Br)C(Cl)=Nc2ccc(Br)cc2,Oc1c(cc(Cl)cc1Br)C(Cl)=Nc2ccc(Br)cc2,"InChI=1/C13H7Br2Cl2NO/c14-7-1-3-9(4-2-7)18-13(17)10-5-8(16)6-11(15)12(10)19/h1-6,19H",C13H7Br2Cl2NO,,,,,,HYPSHHXYXHUXLY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.209,251-946-8,34339-76-9,"(Z)-1-[3-(9-octadecenylamino)propyl]-1H-pyrrole-2,5-dione","1-[3-(octadec-9-en-1-ylamino)propyl]-1H-pyrrole-2,5-dione",CCCCCCCC\\C=C/CCCCCCCCNCCCN1C(=O)C=CC1=O,CCCCCCCC\C=C/CCCCCCCCNCCCN1C(=O)C=CC1=O,"InChI=1/C25H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-23-27-24(28)19-20-25(27)29/h9-10,19-20,26H,2-8,11-18,21-23H2,1H3",C25H44N2O2,,,,,,MPADOMMKFQAZGN-KTKRTIGZSA-N,,,,,,,,,,,
100.047.210,251-947-3,34341-20-3,(2-hydroxyethyl)ammonium hydrogen oxydiacetate,"2-hydroxyethanaminium hydrogen 2,2'-oxydiacetate",[NH3+]CCO.[O-]C(=O)COCC(=O)[O-],[NH3+]CCO.[O-]C(=O)COCC(=O)[O-],"InChI=1/C4H6O5.C2H7NO/c5-3(6)1-9-2-4(7)8;3-1-2-4/h1-2H2,(H,5,6)(H,7,8);4H,1-3H2/p-1",C4H6O5.C2H7NO,,,,,,XALZKBAFSRZRLS-UHFFFAOYSA-M,,,,,,,,,,,
100.047.211,251-948-9,34342-67-1,"2'-(dibenzylamino)-6'-(diethylamino)-4'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-(dibenzylamino)-6'-(diethylamino)-4'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3c(C)cc(cc3C24OC(=O)c5ccccc45)N(Cc6ccccc6)Cc7ccccc7)c1,CCN(CC)c1ccc2c(Oc3c(C)cc(cc3C24OC(=O)c5ccccc45)N(Cc6ccccc6)Cc7ccccc7)c1,"InChI=1/C39H36N2O3/c1-4-40(5-2)30-20-21-34-36(24-30)43-37-27(3)22-31(23-35(37)39(34)33-19-13-12-18-32(33)38(42)44-39)41(25-28-14-8-6-9-15-28)26-29-16-10-7-11-17-29/h6-24H,4-5,25-26H2,1-3H3",C39H36N2O3,,,,,,VDBOFGZVSSZTBU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.215,251-953-6,34352-08-4,8-quinolyl 2-[[[4-[(thiazole-2-ylamino)sulphonyl]phenyl]amino]carbonyl]benzoate,"quinolin-8-yl 2-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoate",O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)c3ccccc3C(=O)Oc4cccc5cccnc45,O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)c3ccccc3C(=O)Oc4cccc5cccnc45,"InChI=1/C26H18N4O5S2/c31-24(29-18-10-12-19(13-11-18)37(33,34)30-26-28-15-16-36-26)20-7-1-2-8-21(20)25(32)35-22-9-3-5-17-6-4-14-27-23(17)22/h1-16H,(H,28,30)(H,29,31)",C26H18N4O5S2,,,,,,UQKUNVLLLNJENL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.217,251-955-7,34352-74-4,"a,a-dimethyl[1,1'-biphenyl]-4-methanol",2-biphenyl-4-ylpropan-2-ol,CC(C)(O)c1ccc(cc1)c2ccccc2,CC(C)(O)c1ccc(cc1)c2ccccc2,"InChI=1/C15H16O/c1-15(2,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,16H,1-2H3",C15H16O,,,,,,GOKGIYHIVSGXDM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.220,251-958-3,34361-19-8,a-methyl-4-phenylpiperidine-4-methanol,1-(4-phenylpiperidin-4-yl)ethanol,CC(O)C1(CCNCC1)c2ccccc2,CC(O)C1(CCNCC1)c2ccccc2,"InChI=1/C13H19NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-6,11,14-15H,7-10H2,1H3",C13H19NO,,,,,,KZCXJZTWPDOBTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.221,251-959-9,34362-27-1,2-hexyldecyl laurate,2-hexyldecyl laurate,CCCCCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC,CCCCCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC,"InChI=1/C28H56O2/c1-4-7-10-13-15-16-17-19-22-25-28(29)30-26-27(23-20-12-9-6-3)24-21-18-14-11-8-5-2/h27H,4-26H2,1-3H3",C28H56O2,,,,,,KMUBFTBPGVULKC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.227,251-966-7,34365-79-2,S-isopropyl 3-methylthiocrotonate,S-isopropyl 3-methylbut-2-enethioate,CC(C)SC(=O)C=C(C)C,CC(C)SC(=O)C=C(C)C,"InChI=1/C8H14OS/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3",C8H14OS,,,,,,IZVXTRDVESJRTA-UHFFFAOYSA-N,,,,,,,,,,,
100.047.231,251-970-9,34372-09-3,"2,4-dimethyl-2-(phenylazo)valeronitrile","2,4-dimethyl-2-(phenyldiazenyl)pentanenitrile",CC(C)CC(C)(N=Nc1ccccc1)C#N,CC(C)CC(C)(N=Nc1ccccc1)C#N,"InChI=1/C13H17N3/c1-11(2)9-13(3,10-14)16-15-12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3",C13H17N3,,,,,,JAENQWGSDBWVSP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.238,251-978-2,34380-47-7,(±)-1-[p-(benzyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,1-[4-(benzyloxy)phenoxy]-3-(isopropylamino)propan-2-ol,CC(C)NCC(O)COc1ccc(OCc2ccccc2)cc1,CC(C)NCC(O)COc1ccc(OCc2ccccc2)cc1,"InChI=1/C19H25NO3/c1-15(2)20-12-17(21)14-23-19-10-8-18(9-11-19)22-13-16-6-4-3-5-7-16/h3-11,15,17,20-21H,12-14H2,1-2H3",C19H25NO3,,,,,,YUFPERPQVJMWEN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.987,278-108-4,75199-00-7,"Trisodium 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium 4-[(4-{[(2,3-dichloroquinoxalin-6-yl)carbonyl]amino}-2-sulfonatophenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].Clc1nc2cc(ccc2nc1Cl)C(=O)Nc5ccc(N=NC4\\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc1nc2cc(ccc2nc1Cl)C(=O)Nc5ccc(N=NC4\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(c5)S([O-])(=O)=O,"InChI=1/C25H15Cl2N7O10S2.3Na/c26-21-22(27)30-17-9-11(1-7-15(17)29-21)23(35)28-12-2-8-16(18(10-12)46(42,43)44)31-32-19-20(25(37)38)33-34(24(19)36)13-3-5-14(6-4-13)45(39,40)41;;;/h1-10,19H,(H,28,35)(H,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3",C25H15Cl2N7O10S2.3Na,,,,,,RJGNVZNQMMHZLS-UHFFFAOYSA-K,,,,,,,,,,,
100.046.272,250-916-1,32087-68-6,[(ß-D-glucopyranuronosyl)carboxylatomethyl]trimethylammonium,"(6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)(trimethylammonio)acetate (non-preferred name)",C[N+](C)(C)C([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C(=O)[O-],C[N+](C)(C)C([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C(=O)[O-],"InChI=1/C11H19NO8/c1-12(2,3)4(10(16)17)8-6(14)5(13)7(15)9(20-8)11(18)19/h4-9,13-15H,1-3H3,(H-,16,17,18,19)",C11H20NO8,,,,,,JAAURIOCOPGDLK-ICPASMAVSA-N,,,,,,,,,,,
100.046.279,250-924-5,32112-52-0,Lead dimyristate,-,[Pb+2].[O-]C(=O)CCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCC,[Pb+2].[O-]C(=O)CCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCC,"InChI=1/2C14H28O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2*2-13H2,1H3,(H,15,16);;;/q;;+4;;/p-2/r2C14H28O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);1H2/q;;+4/p-2",C14H28O2.1/2Pb,,,,,,ZZSLTNOFMWYBTR-UHFFFAOYSA-L,,,,,,,,,,,
100.046.280,250-925-0,32112-80-4,3-ethyl-5-[1-(2-hydroxyethyl)-4(1H)-pyridylidene]rhodanine,"3-ethyl-5-[1-(2-hydroxyethyl)pyridin-4(1H)-ylidene]-2-thioxo-1,3-thiazolidin-4-one",CCN1C(=S)SC(=C2C=CN(CCO)C=C2)C1=O,CCN1C(=S)SC(=C2C=CN(CCO)C=C2)C1=O,"InChI=1/C12H14N2O2S2/c1-2-14-11(16)10(18-12(14)17)9-3-5-13(6-4-9)7-8-15/h3-6,15H,2,7-8H2,1H3",C12H14N2O2S2,,,,,,FCLYDLWAESRMLT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.281,250-926-6,32116-10-2,Heptacosan-14-ol,heptacosan-14-ol,CCCCCCCCCCCCCC(O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(O)CCCCCCCCCCCCC,"InChI=1/C27H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3",C27H56O,,,,,,XHGCEYVOGZHRLW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.286,250-931-3,32149-57-8,Magnesium 2-methylpropan-2-olate,magnesium bis(2-methylpropan-2-olate),[Mg+2].CC(C)(C)[O-].CC(C)(C)[O-],[Mg+2].CC(C)(C)[O-].CC(C)(C)[O-],"InChI=1/2C4H9O.Mg/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2",C4H10O.1/2Mg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10906,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.286,RTKCPZYOLXPARI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.295,250-941-8,32179-67-2,"N-(4-chloro-2,5-dimethoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide","3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-2-naphthyl dihydrogen phosphate",COc1cc(NC(=O)c2cc3ccccc3cc2OP(=O)(O)O)c(OC)cc1Cl,COc1cc(NC(=O)c2cc3ccccc3cc2OP(=O)(O)O)c(OC)cc1Cl,"InChI=1/C19H17ClNO7P/c1-26-17-10-15(18(27-2)9-14(17)20)21-19(22)13-7-11-5-3-4-6-12(11)8-16(13)28-29(23,24)25/h3-10H,1-2H3,(H,21,22)(H2,23,24,25)",C19H17ClNO7P,,,,,,ZVMLHPOCCZTQGX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.204,277-247-8,73043-94-4,"Butyric acid, compound with triethylamine (1:1)","butanoic acid - N,N-diethylethanamine (1:1)",CCCC(=O)O.CCN(CC)CC,CCCC(=O)O.CCN(CC)CC,"InChI=1/C6H15N.C4H8O2/c1-4-7(5-2)6-3;1-2-3-4(5)6/h4-6H2,1-3H3;2-3H2,1H3,(H,5,6)",C6H15N.C4H8O2,,,,,,CMXNYBTXDKZDHL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.222,277-267-7,73067-76-2,"N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]bismyristamide",N-[6-{[3-(dimethylamino)propyl]amino}-6-oxo-5-(tetradecanoylamino)hexyl]tetradecanamide,CCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCCCC)C(=O)NCCCN(C)C,CCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCCCC)C(=O)NCCCN(C)C,"InChI=1/C39H78N4O3/c1-5-7-9-11-13-15-17-19-21-23-25-31-37(44)40-33-28-27-30-36(39(46)41-34-29-35-43(3)4)42-38(45)32-26-24-22-20-18-16-14-12-10-8-6-2/h36H,5-35H2,1-4H3,(H,40,44)(H,41,46)(H,42,45)",C39H78N4O3,,,,,,FIJASZBAYLYSEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.223,277-268-2,73067-77-3,"N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]distearamide",N-[6-{[3-(dimethylamino)propyl]amino}-6-oxo-5-(stearoylamino)hexyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCCCCCCCC)C(=O)NCCCN(C)C,CCCCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCCCCCCCC)C(=O)NCCCN(C)C,"InChI=1/C47H94N4O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-45(52)48-41-36-35-38-44(47(54)49-42-37-43-51(3)4)50-46(53)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h44H,5-43H2,1-4H3,(H,48,52)(H,49,54)(H,50,53)",C47H94N4O3,,,,,,OVMIRNFSXFBJQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.224,277-269-8,73067-87-5,"(S)-N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]glutaramide","N~1~,N~5~-bis[3-(dimethylamino)propyl]-N~2~-dodecanoyl-L-glutamamide",CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCN(C)C)C(=O)NCCCN(C)C,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCN(C)C)C(=O)NCCCN(C)C,"InChI=1/C27H55N5O3/c1-6-7-8-9-10-11-12-13-14-17-26(34)30-24(27(35)29-21-16-23-32(4)5)18-19-25(33)28-20-15-22-31(2)3/h24H,6-23H2,1-5H3,(H,28,33)(H,29,35)(H,30,34)",C27H55N5O3,,,,,,ZXLBXQMOLJCJSN-DEOSSOPVSA-N,,,,,,,,,,,
100.070.234,277-280-8,73086-97-2,(S)-1-carboxy-3-phenylpropoxyammonium bromide,(1-carboxy-3-phenylpropoxy)ammonium bromide,[Br-].[NH3+]O[C@@H](CCc1ccccc1)C(=O)O,[Br-].[NH3+]O[C@@H](CCc1ccccc1)C(=O)O,"InChI=1/C10H13NO3.BrH/c11-14-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7H2,11H3;1H",C9H11NO3.BrH,,,,,,FFXCBMBJMQNDTI-FVGYRXGTSA-N,,,,,,,,,,,
100.070.238,277-285-5,73110-92-6,6-chloro-2-(4-chlorophenyl)-2H-1-benzopyran,6-chloro-2-(4-chlorophenyl)-2H-chromene,Clc1ccc(cc1)C2Oc3ccc(Cl)cc3C=C2,Clc1ccc(cc1)C2Oc3ccc(Cl)cc3C=C2,"InChI=1/C15H10Cl2O/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-9,14H",C15H10Cl2O,,,,,,BVVWAIYTJZYVGS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.148,256-281-7,46817-91-8,Viloxazine,2-[(2-ethoxyphenoxy)methyl]morpholine,CCOc1ccccc1OCC2CNCCO2,CCOc1ccccc1OCC2CNCCO2,"InChI=1/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3",C13H19NO3,,,,,,YWPHCCPCQOJSGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.165,256-300-9,47165-57-1,"Dihydro-3-tetradecylfuran-2,5-dione","3-tetradecyldihydrofuran-2,5-dione",CCCCCCCCCCCCCCC1CC(=O)OC1=O,CCCCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h16H,2-15H2,1H3",C18H32O3,,,,,,BZECBEKZECEQRI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.092,259-521-9,55194-65-5,1-methylnonyl stearate,1-methylnonyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCC,"InChI=1/C28H56O2/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27(3)25-23-21-11-9-7-5-2/h27H,4-26H2,1-3H3",C28H56O2,,,,,,RSLHDXJYFSXVNX-UHFFFAOYSA-N,,,,,,,,,,,
100.054.098,259-528-7,55203-51-5,"1-ethyl-2,3,3-trimethyl-5-(phenylsulphonyl)-3H-indolium iodide","1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-3H-indolium iodide",[I-].CC[N+]1=C(C)C(C)(C)c2cc(ccc12)S(=O)(=O)c3ccccc3,[I-].CC[N+]1=C(C)C(C)(C)c2cc(ccc12)S(=O)(=O)c3ccccc3,"InChI=1/C19H22NO2S.HI/c1-5-20-14(2)19(3,4)17-13-16(11-12-18(17)20)23(21,22)15-9-7-6-8-10-15;/h6-13H,5H2,1-4H3;1H/q+1;/p-1",C19H22NO2S.I,,,,,,OQJOGLZCCHZCOU-UHFFFAOYSA-M,,,,,,,,,,,
100.054.105,259-536-0,55207-49-3,"6-amino-1H,2H-indazol-3-one","6-amino-1,2-dihydro-3H-indazol-3-one",Nc1ccc2C(=O)NNc2c1,Nc1ccc2C(=O)NNc2c1,"InChI=1/C7H7N3O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,8H2,(H2,9,10,11)",C7H7N3O.2ClH,,,,,,RVEOZWSYDIHKIB-UHFFFAOYSA-N,,,,,,,,,,,
100.054.111,259-542-3,55234-12-3,"3-formyl-2,2,5,5-tetramethylthiazolidine-4-carboxylic acid","3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid",CC1(C)SC(C)(C)N(C=O)C1C(=O)O,CC1(C)SC(C)(C)N(C=O)C1C(=O)O,"InChI=1/C9H15NO3S/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)",C9H15NO3S,,,,,,QEIKJZZSMZXSAI-UHFFFAOYSA-N,,,,,,,,,,,
100.054.114,259-546-5,55246-89-4,N-(2-phenoxyethyl)propylamine,N-(2-phenoxyethyl)propan-1-amine,CCCNCCOc1ccccc1,CCCNCCOc1ccccc1,"InChI=1/C11H17NO/c1-2-8-12-9-10-13-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3",C11H17NO,,,,,,FBRGWNDXBBWEHK-UHFFFAOYSA-N,,,,,,,,,,,
100.054.117,259-549-1,55250-78-7,"(4,4-dimethyl-2,5-dioxoimidazolidine-1,3-diyl)diethane-2,1-diyl bis([3-mercaptopropionate]","(4,4-dimethyl-2,5-dioxoimidazolidine-1,3-diyl)diethane-2,1-diyl bis(3-sulfanylpropanoate)",CC1(C)N(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C1=O,CC1(C)N(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C1=O,"InChI=1/C15H24N2O6S2/c1-15(2)13(20)16(5-7-22-11(18)3-9-24)14(21)17(15)6-8-23-12(19)4-10-25/h24-25H,3-10H2,1-2H3",C15H24N2O6S2,,,,,,LJOCSZWVBPUWHF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.118,259-550-7,55250-84-5,"O'-anilino-6'-(cyclohexylmethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-6'-[cyclohexyl(methyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CN(C1CCCCC1)c2ccc3c(Oc4cc(C)c(Nc5ccccc5)cc4C36OC(=O)c7ccccc67)c2,CN(C1CCCCC1)c2ccc3c(Oc4cc(C)c(Nc5ccccc5)cc4C36OC(=O)c7ccccc67)c2,"InChI=1/C34H32N2O3/c1-22-19-31-29(21-30(22)35-23-11-5-3-6-12-23)34(27-16-10-9-15-26(27)33(37)39-34)28-18-17-25(20-32(28)38-31)36(2)24-13-7-4-8-14-24/h3,5-6,9-12,15-21,24,35H,4,7-8,13-14H2,1-2H3",C34H32N2O3,,,,,,CEGHCPGGKKWOKF-UHFFFAOYSA-N,,,,,,,,,,,
100.054.121,259-553-3,55252-55-6,"2,2'-methylenebis[4-tert-butyl-6-cyclohexylphenol]","2,2'-methylenebis(4-tert-butyl-6-cyclohexylphenol)",CC(C)(C)c1cc(Cc2cc(cc(C3CCCCC3)c2O)C(C)(C)C)c(O)c(c1)C4CCCCC4,CC(C)(C)c1cc(Cc2cc(cc(C3CCCCC3)c2O)C(C)(C)C)c(O)c(c1)C4CCCCC4,"InChI=1/C33H48O2/c1-32(2,3)26-18-24(30(34)28(20-26)22-13-9-7-10-14-22)17-25-19-27(33(4,5)6)21-29(31(25)35)23-15-11-8-12-16-23/h18-23,34-35H,7-17H2,1-6H3",C33H48O2,,,,,,YUPWBJDKWZQHOU-UHFFFAOYSA-N,,,,,,,,,,,
100.054.123,259-555-4,55257-88-0,1-decylpyrrolidin-2-one,1-decylpyrrolidin-2-one,CCCCCCCCCCN1CCCC1=O,CCCCCCCCCCN1CCCC1=O,"InChI=1/C14H27NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14(15)16/h2-13H2,1H3",C14H27NO,,,,,,ZRECPFOSZXDFDT-UHFFFAOYSA-N,,,,,,,,,,,
100.054.124,259-557-5,55258-78-1,"4-(1-methylethyl)[1,1'-biphenyl]-2-ol",4-isopropylbiphenyl-2-ol,CC(C)c1ccc(c(O)c1)c2ccccc2,CC(C)c1ccc(c(O)c1)c2ccccc2,"InChI=1/C15H16O/c1-11(2)13-8-9-14(15(16)10-13)12-6-4-3-5-7-12/h3-11,16H,1-2H3",C15H16O,,,,,,HQNURLCJEISYIP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.126,252-954-4,36296-31-8,"Nicotinic acid 1-oxide, compound with 2-aminoethanol (1:1)",nicotinic acid 1-oxide - 2-aminoethanol (1:1),NCCO.OC(=O)c1ccc[n+]([O-])c1,NCCO.OC(=O)c1ccc[n+]([O-])c1,"InChI=1/C6H5NO3.C2H7NO/c8-6(9)5-2-1-3-7(10)4-5;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2",C6H5NO3.C2H7NO,,,,,,LVUBWVCYXFVQJN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.801,252-596-9,35501-73-6,1-ethyl-6-methyl-2-[[5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]quinolinium,"3-{2-[(1-ethyl-6-methylquinolinium-2-yl)methylene]-5-methyl-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate",[O-]S(=O)(=O)CCCN3c4cc(C)ccc4SC3=Cc1ccc2cc(C)ccc2[n+]1CC,[O-]S(=O)(=O)CCCN3c4cc(C)ccc4SC3=Cc1ccc2cc(C)ccc2[n+]1CC,"InChI=1/C24H26N2O3S2/c1-4-25-20(9-8-19-14-17(2)6-10-21(19)25)16-24-26(12-5-13-31(27,28)29)22-15-18(3)7-11-23(22)30-24/h6-11,14-16H,4-5,12-13H2,1-3H3",C24H26N2O3S2,,,,,,WZUVGBPLPGVISO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.637,279-924-3,82239-77-8,4-(acetylamino)phenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate,4-acetamidophenyl [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate,CC(=O)Nc1ccc(OC(=O)Cc2ccc(C(=O)c3ccc(C)cc3)n2C)cc1,CC(=O)Nc1ccc(OC(=O)Cc2ccc(C(=O)c3ccc(C)cc3)n2C)cc1,"InChI=1/C23H22N2O4/c1-15-4-6-17(7-5-15)23(28)21-13-10-19(25(21)3)14-22(27)29-20-11-8-18(9-12-20)24-16(2)26/h4-13H,14H2,1-3H3,(H,24,26)",C23H22N2O4,,,,,,FILYHFFLMZBUSY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.639,279-926-4,82281-92-3,2-[[4-[ethyl(2-hydroxypropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate,"2-({4-[ethyl(2-hydroxypropyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate",[O-]C(C)=O.CC(O)CN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]C(C)=O.CC(O)CN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C20H25N4O2S.C2H4O2/c1-5-24(13-14(2)25)16-8-6-15(7-9-16)21-22-20-23(3)18-11-10-17(26-4)12-19(18)27-20;1-2(3)4/h6-12,14,25H,5,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C20H25N4O2S.C2H3O2,,,,,,GPRKEHDBUJMIKZ-UHFFFAOYSA-M,,,,,,,,,,,
100.072.643,279-931-1,82323-96-4,1-[[4-(2-methylphenoxy)-3-sulphophenyl]azo]-4-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]naphthalenesulphonic acid,"1-{[4-(2-methylphenoxy)-3-sulfophenyl]diazenyl}-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-1,2-dihydronaphthalene-1-sulfonic acid",Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=N\\C6=C\\CC(N=Nc4ccc(Oc3ccccc3C)c(c4)S(O)(=O)=O)(c5ccccc56)S(O)(=O)=O,Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=N\C6=C\CC(N=Nc4ccc(Oc3ccccc3C)c(c4)S(O)(=O)=O)(c5ccccc56)S(O)(=O)=O,"InChI=1/C36H30N4O10S3/c1-24-11-18-29(19-12-24)52(44,45)50-28-16-13-26(14-17-28)37-39-32-21-22-36(53(46,47)48,31-9-5-4-8-30(31)32)40-38-27-15-20-34(35(23-27)51(41,42)43)49-33-10-6-3-7-25(33)2/h3-21,23H,22H2,1-2H3,(H,41,42,43)(H,46,47,48)",C36H28N4O10S3,,,,,,LZAYZGTUDYQZOT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.654,279-943-7,82387-42-6,Methyl 3-methoxymethacrylate,methyl 3-methoxy-2-methylacrylate,CO\\C=C(/C)\\C(=O)OC,CO\C=C(/C)\C(=O)OC,"InChI=1/C6H10O3/c1-5(4-8-2)6(7)9-3/h4H,1-3H3",C6H10O3,,,,,,XEQYPQHAQCSASZ-SNAWJCMRSA-N,,,,,,,,,,,
100.046.308,250-955-4,32213-88-0,"1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-7-yl acetate","1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalen-7-yl acetate",CC(=O)OC1CC(C)(C)C23CCC(C2)C(C)(C)C3=C1,CC(=O)OC1CC(C)(C)C23CCC(C2)C(C)(C)C3=C1,"InChI=1/C17H26O2/c1-11(18)19-13-8-14-16(4,5)12-6-7-17(14,9-12)15(2,3)10-13/h8,12-13H,6-7,9-10H2,1-5H3",C17H26O2,,,,,,DMRSABXLZDPVFE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.310,250-958-0,32214-88-3,"[1R-(1R*,3E,5S*,9S*)]-4,11,11-trimethyl-6-methylenebicyclo[7.2.0]undec-3-en-5-ol","4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-3-en-5-ol",CC1=CCC2C(CC2(C)C)C(=C)CCC1O,CC1=CCC2C(CC2(C)C)C(=C)CCC1O,"InChI=1/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-14,16H,1,6-9H2,2-4H3",C15H24O,,,,,,DWUYGFWOANEJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.311,250-959-6,32214-89-4,"[1R-(1R*,3E,5R*,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-3-en-5-ol","4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-3-en-5-ol",CC1=CCC2C(CC2(C)C)C(=C)CCC1O,CC1=CCC2C(CC2(C)C)C(=C)CCC1O,"InChI=1/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-14,16H,1,6-9H2,2-4H3",C15H24O,,,,,,DWUYGFWOANEJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.312,250-960-1,32214-91-8,"4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-3-en-5-yl acetate","4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-3-en-5-yl acetate",CC(=O)OC1CCC(=C)C2CC(C)(C)C2C\\C=C/1\\C,CC(=O)OC1CCC(=C)C2CC(C)(C)C2C\C=C/1\C,"InChI=1/C17H26O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h6,14-16H,1,7-10H2,2-5H3",C17H26O2,,,,,,OCLOVRSVPZPWHE-SDQBBNPISA-N,,,,,,,,,,,
100.046.315,250-963-8,32222-06-3,Calcitriol,"9,10-secocholesta-5,7,10-triene-1,3,25-triol",C=C3[C@@H](O)C[C@H](O)CC3=CC=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)(C)O,C=C3[C@@H](O)C[C@H](O)CC3=CC=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)(C)O,"InChI=1/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3",C27H44O3,,,,,,GMRQFYUYWCNGIN-ZVUFCXRFSA-N,,,,,,,,,,,
100.046.318,250-966-4,32226-54-3,"trans-(±)-5-hydroxy-a,a,4-trimethylcyclohex-3-ene-1-methanol",5-(1-hydroxy-1-methylethyl)-2-methylcyclohex-2-en-1-ol,CC1=CCC(CC1O)C(C)(C)O,CC1=CCC(CC1O)C(C)(C)O,"InChI=1/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3",C10H18O2,,,,,,OMDMTHRBGUBUCO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.320,250-969-0,32241-08-0,Heptachloronaphthalene,"1,2,3,4,5,6,7-heptachloronaphthalene",Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl,Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl,InChI=1/C10HCl7/c11-3-1-2-4(7(14)6(3)13)8(15)10(17)9(16)5(2)12/h1H,C10HCl7,,,,,,NDZIBNJHNBUHKW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.331,250-981-6,32292-78-7,"2-formyl-3,5-dihydroxyphenyl benzoate","2-formyl-3,5-dihydroxyphenyl benzoate",Oc1cc(O)c(C=O)c(OC(=O)c2ccccc2)c1,Oc1cc(O)c(C=O)c(OC(=O)c2ccccc2)c1,"InChI=1/C14H10O5/c15-8-11-12(17)6-10(16)7-13(11)19-14(18)9-4-2-1-3-5-9/h1-8,16-17H",C14H10O5,,,,,,NQGFNZGQTUVDDL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.332,250-982-1,32294-60-3,Diphenyl ditelluride,diphenylditellane,[Te]([Te]c1ccccc1)c2ccccc2,[Te]([Te]c1ccccc1)c2ccccc2,InChI=1/C12H10Te2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,C12H10Te2,,,,,,VRLFOXMNTSYGMX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.833,277-940-5,74649-89-1,"2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane","2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane",CCCCCCCCCCCCC1COCCOCCOCCOCCO1,CCCCCCCCCCCCC1COCCOCCOCCOCCO1,"InChI=1/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-21-26-18-17-24-14-13-23-15-16-25-19-20-27-22/h22H,2-21H2,1H3",C22H44O5,,,,,,DFWQSNWJMXKBJS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.836,277-943-1,74651-51-7,[[methyl[(methylamino)carbonyl]amino]methylene]bisphosphonic acid,{[methyl(methylcarbamoyl)amino]methylene}bis(phosphonic acid),CNC(=O)N(C)C(P(=O)(O)O)P(=O)(O)O,CNC(=O)N(C)C(P(=O)(O)O)P(=O)(O)O,"InChI=1/C4H12N2O7P2/c1-5-3(7)6(2)4(14(8,9)10)15(11,12)13/h4H,1-2H3,(H,5,7)(H2,8,9,10)(H2,11,12,13)",C4H12N2O7P2,,,,,,HUHUIXFOXUATES-UHFFFAOYSA-N,,,,,,,,,,,
100.070.839,277-946-8,74651-64-2,"(-)-2,3-dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide","2,3-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(methylsulfamoyl)benzamide",CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,"InChI=1/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)",C16H25N3O5S,,,,,,SODOSTUXGWHQII-UHFFFAOYSA-N,,,,,,,,,,,
100.070.857,277-966-7,74682-50-1,"3-(heptylthio)-1H-1,2,4-triazole","3-(heptylsulfanyl)-4H-1,2,4-triazole",CCCCCCCSc1nnc[nH]1,CCCCCCCSc1nnc[nH]1,"InChI=1/C9H17N3S/c1-2-3-4-5-6-7-13-9-10-8-11-12-9/h8H,2-7H2,1H3,(H,10,11,12)",C9H17N3S,,,,,,HYYBYDAYENEBIE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.860,277-969-3,74696-73-4,"N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propionamide","N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamide",CCC(=O)Nc1ccc(cc1)C(O)C(F)(F)F,CCC(=O)Nc1ccc(cc1)C(O)C(F)(F)F,"InChI=1/C11H12F3NO2/c1-2-9(16)15-8-5-3-7(4-6-8)10(17)11(12,13)14/h3-6,10,17H,2H2,1H3,(H,15,16)",C11H12F3NO2,,,,,,NKBABNRRDTZGJV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.869,277-979-8,74743-23-0,"Ethyl (S)-a-[(4-aminophenyl)methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate","ethyl 3-(4-aminophenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate",CCOC(=O)[C@H](Cc1ccc(N)cc1)N2C(=O)c3ccccc3C2=O,CCOC(=O)[C@H](Cc1ccc(N)cc1)N2C(=O)c3ccccc3C2=O,"InChI=1/C19H18N2O4/c1-2-25-19(24)16(11-12-7-9-13(20)10-8-12)21-17(22)14-5-3-4-6-15(14)18(21)23/h3-10,16H,2,11,20H2,1H3",C19H18N2O4,,,,,,RYROTMZMTMCWEP-INIZCTEOSA-N,,,,,,,,,,,
100.052.411,257-670-4,52119-38-7,Ethyl 3-(m-nitrophenyl)-3-oxopropionate,ethyl 3-(3-nitrophenyl)-3-oxopropanoate,CCOC(=O)CC(=O)c1cccc(c1)[N+](=O)[O-],CCOC(=O)CC(=O)c1cccc(c1)[N+](=O)[O-],"InChI=1/C11H11NO5/c1-2-17-11(14)7-10(13)8-4-3-5-9(6-8)12(15)16/h3-6H,2,7H2,1H3",C11H11NO5,,,,,,DSOJMGUVLXTQSE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.413,257-673-0,52120-49-7,"2,4-dinitrobenzenebutyric acid","4-(2,4-dinitrophenyl)butanoic acid",OC(=O)CCCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],OC(=O)CCCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H10N2O6/c13-10(14)3-1-2-7-4-5-8(11(15)16)6-9(7)12(17)18/h4-6H,1-3H2,(H,13,14)",C10H10N2O6,,,,,,SWEYUZMSQYUAIL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.414,257-674-6,52122-75-5,1-(2-hydroxy-5-nonylphenyl)-2-phenylethan-1-one oxime,1-(2-hydroxy-5-nonylphenyl)-2-phenylethanone oxime,Oc2ccc(cc2C(=NO)Cc1ccccc1)CCCCCCCCC,Oc2ccc(cc2C(=NO)Cc1ccccc1)CCCCCCCCC,"InChI=1/C23H31NO2/c1-2-3-4-5-6-7-9-14-20-15-16-23(25)21(17-20)22(24-26)18-19-12-10-8-11-13-19/h8,10-13,15-17,25-26H,2-7,9,14,18H2,1H3",C23H31NO2,,,,,,YCBRZJYZKWMUBG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.420,257-680-9,52130-86-6,2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide,2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide,[O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2F,[O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2F,"InChI=1/C15H10BrFN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)",C15H10BrFN2O4,,,,,,DGIHQJAKOHGCOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.426,257-687-7,52136-25-1,"2-[[4-[bis(2-hydroxyethyl)amino]phenyl]amino]-5-[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione","2-({4-[bis(2-hydroxyethyl)amino]phenyl}amino)-5-[(2-hydroxyethyl)amino]-1,4-benzoquinone",OCCNC1=CC(=O)C(=CC1=O)Nc2ccc(cc2)N(CCO)CCO,OCCNC1=CC(=O)C(=CC1=O)Nc2ccc(cc2)N(CCO)CCO,"InChI=1/C18H23N3O5/c22-8-5-19-15-11-18(26)16(12-17(15)25)20-13-1-3-14(4-2-13)21(6-9-23)7-10-24/h1-4,11-12,19-20,22-24H,5-10H2",C18H23N3O5,,,,,,BZYZOJIGZUACMS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.448,257-711-6,52181-77-8,Pentenylbenzene,pent-1-en-1-ylbenzene,CCCC=Cc1ccccc1,CCCC=Cc1ccccc1,"InChI=1/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h4-10H,2-3H2,1H3",C11H14,,,,,,KHMYONNPZWOTKW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.347,257-600-2,52009-49-1,Calcium bis(phenylacetate),calcium bis(phenylacetate),[Ca+2].[O-]C(=O)Cc1ccccc1.[O-]C(=O)Cc2ccccc2,[Ca+2].[O-]C(=O)Cc1ccccc1.[O-]C(=O)Cc2ccccc2,"InChI=1/2C8H8O2.Ca/c2*9-8(10)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Ca,,,,,,XWSRCZGIHKNZFL-UHFFFAOYSA-L,,,,,,,,,,,
100.052.349,257-602-3,52009-64-0,"3,8-diamino-6-phenylphenanthridine","6-phenylphenanthridine-3,8-diamine",Nc1ccc2c(c1)nc(c3ccccc3)c4cc(N)ccc24,Nc1ccc2c(c1)nc(c3ccccc3)c4cc(N)ccc24,"InChI=1/C19H15N3/c20-13-6-8-15-16-9-7-14(21)11-18(16)22-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H,20-21H2",C19H15N3,,,,,,CPNAVTYCORRLMH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.354,257-608-6,52018-82-3,(4-acetamidophenacyl)trimethylammonium chloride,"2-(4-acetamidophenyl)-N,N,N-trimethyl-2-oxoethanaminium chloride",[Cl-].CC(=O)Nc1ccc(cc1)C(=O)C[N+](C)(C)C,[Cl-].CC(=O)Nc1ccc(cc1)C(=O)C[N+](C)(C)C,"InChI=1/C13H18N2O2.ClH/c1-10(16)14-12-7-5-11(6-8-12)13(17)9-15(2,3)4;/h5-8H,9H2,1-4H3;1H",C13H19N2O2.Cl,,,,,,SUZHCGMKGSHQOI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.355,257-609-1,52018-85-6,3-[pyridin-2-yl(pyridin-2-ylhydrazono)methyl]benzenesulphonic acid,3-(dipyridin-2-ylcarbonohydrazonoyl)benzenesulfonic acid,OS(=O)(=O)c1cccc(c1)C(=NNc2ccccn2)c3ccccn3,OS(=O)(=O)c1cccc(c1)C(=NNc2ccccn2)c3ccccn3,"InChI=1/C17H14N4O3S/c22-25(23,24)14-7-5-6-13(12-14)17(15-8-1-3-10-18-15)21-20-16-9-2-4-11-19-16/h1-12H,(H,19,20)(H,22,23,24)",C17H14N4O3S,,,,,,RFBIFVJURBNJJY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.359,257-613-3,52023-68-4,6-(morpholino)pyridin-3-amine,6-morpholin-4-ylpyridin-3-amine,Nc1ccc(nc1)N2CCOCC2,Nc1ccc(nc1)N2CCOCC2,"InChI=1/C9H13N3O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6,10H2",C9H13N3O,,,,,,VVTSPTCBHTWXMD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.365,257-620-1,52031-09-1,"Citric acid, iron(3+) sodium salt",-,[Fe+3].[Na+].O=C(O)CC(O)(CC(=O)O)C(O)=O,[Fe+3].[Na+].O=C(O)CC(O)(CC(=O)O)C(O)=O,"InChI=1/C6H8O7.Fe.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+3;+1",C6H8O7.xFe.xNa,,,,,,IQLKSUUDKVZPMO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.366,257-621-7,52031-76-2,tert-butyl 1-methyl-1-(4-tolyl)ethyl peroxide,tert-butyl 1-methyl-1-(4-methylphenyl)ethyl peroxide,Cc1ccc(cc1)C(C)(C)OOC(C)(C)C,Cc1ccc(cc1)C(C)(C)OOC(C)(C)C,"InChI=1/C14H22O2/c1-11-7-9-12(10-8-11)14(5,6)16-15-13(2,3)4/h7-10H,1-6H3",C14H22O2,,,,,,URHPHLGQBBDTGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.368,257-623-8,52044-08-3,Disodium 2-(4-amino-3-sulphonatophenyl)-6-methylbenzothiazole-7-sulphonate,"disodium 2-(4-amino-3-sulfonatophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc(N)c(c3)S(=O)(=O)[O-],[Na+].[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc(N)c(c3)S(=O)(=O)[O-],"InChI=1/C14H12N2O6S3.2Na/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)8-3-4-9(15)11(6-8)24(17,18)19;;/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H12N2O6S3.2Na,,,,,,HBJCVQUBNWAIAA-UHFFFAOYSA-L,,,,,,,,,,,
100.053.880,259-288-3,54669-98-6,2-(acetylamino)-5-aminobenzoic acid,2-acetamido-5-aminobenzoic acid,CC(=O)Nc1ccc(N)cc1C(=O)O,CC(=O)Nc1ccc(N)cc1C(=O)O,"InChI=1/C9H10N2O3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4H,10H2,1H3,(H,11,12)(H,13,14)",C9H10N2O3,,,,,,VENSKZQVHFCKNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.884,259-293-0,54684-71-8,(Z)-2-methyloct-5-en-2-ol,2-methyloct-5-en-2-ol,CC\\C=C/CCC(C)(C)O,CC\C=C/CCC(C)(C)O,"InChI=1/C9H18O/c1-4-5-6-7-8-9(2,3)10/h5-6,10H,4,7-8H2,1-3H3",C9H18O,,,,,,LGAOBFAFWKTUEZ-WAYWQWQTSA-N,,,,,,,,,,,
100.072.632,279-919-6,82205-20-7,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium acetate,"N-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-2-hydroxy-N,N-dimethylpropan-1-aminium acetate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]C(C)=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]C(C)=O,"InChI=1/C21H29ClN5O3.C2H4O2/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-2(3)4/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C21H29ClN5O3.C2H3O2,,,,,,XSFKEMHKDFPDNK-UHFFFAOYSA-M,,,,,,,,,,,
100.072.635,279-922-2,82212-14-4,2-chloro-5-(1H-tetrazol-5-yl)sulphanilamide,4-amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide,Nc1cc(Cl)c(cc1c2nnn[nH]2)S(=O)(=O)N,Nc1cc(Cl)c(cc1c2nnn[nH]2)S(=O)(=O)N,"InChI=1/C7H7ClN6O2S/c8-4-2-5(9)3(7-11-13-14-12-7)1-6(4)17(10,15)16/h1-2H,9H2,(H2,10,15,16)(H,11,12,13,14)",C7H7ClN6O2S,,,,,,OKHJHVJXPHYALI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.650,279-939-5,82339-94-4,p-(2-phenylhydrazino)phenyl p-toluenesulphonate,4-(2-phenylhydrazino)phenyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)Oc2ccc(NNc3ccccc3)cc2,Cc1ccc(cc1)S(=O)(=O)Oc2ccc(NNc3ccccc3)cc2,"InChI=1/C19H18N2O3S/c1-15-7-13-19(14-8-15)25(22,23)24-18-11-9-17(10-12-18)21-20-16-5-3-2-4-6-16/h2-14,20-21H,1H3",C19H18N2O3S,,,,,,GFQNWHFXWSIYSS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.651,279-940-0,82350-07-0,4-[(4-propylphenoxy)carbonyl]phenyl 4-propylbenzoate,4-[(4-propylphenoxy)carbonyl]phenyl 4-propylbenzoate,CCCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CCC)cc3)cc2)cc1,CCCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CCC)cc3)cc2)cc1,"InChI=1/C26H26O4/c1-3-5-19-7-11-21(12-8-19)25(27)30-24-17-13-22(14-18-24)26(28)29-23-15-9-20(6-4-2)10-16-23/h7-18H,3-6H2,1-2H3",C26H26O4,,,,,,OLSLCYYEGDARJR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.802,252-597-4,35503-54-9,"(hydroxyethyl)bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one","1-(1-hydroxyethyl)-4,6-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one",CC(O)N1C(=NC(=NC1=O)CO)CO,CC(O)N1C(=NC(=NC1=O)CO)CO,"InChI=1/C7H11N3O4/c1-4(13)10-6(3-12)8-5(2-11)9-7(10)14/h4,11-13H,2-3H2,1H3",C7H11N3O4,,,,,,CAJDRTSJRQYFHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.804,252-600-9,35511-14-9,"Methyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide","methyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide",COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1,COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1,"InChI=1/C10H9NO5S/c1-16-10(13)8-9(12)6-4-2-3-5-7(6)17(14,15)11-8/h2-5,11-12H,1H3",C10H9NO5S,,,,,,GEUURTZIEGFZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.805,252-601-4,35511-15-0,"Methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide","methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide",COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C,COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C,"InChI=1/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3",C11H11NO5S,,,,,,NGHIOTWSWSQQNT-UHFFFAOYSA-N,,,,,,,,,,,
100.047.807,252-604-0,35513-87-2,"N-(2-aminoethyl)butane-1,4-diamine","N-(2-aminoethyl)butane-1,4-diamine",NCCCCNCCN,NCCCCNCCN,"InChI=1/C6H17N3/c7-3-1-2-5-9-6-4-8/h9H,1-8H2",C6H17N3,,,,,,VRPPEXGZBZBARW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.812,252-609-8,35542-01-9,5-methoxyuridine,5-methoxyuridine,COC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O,COC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O,"InChI=1/C10H14N2O7/c1-18-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)19-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)",C10H14N2O7,,,,,,ZXIATBNUWJBBGT-JXOAFFINSA-N,,,,,,,,,,,
100.047.813,252-610-3,35542-88-2,Manganese hydrogen cyclohexanebutyrate,manganese(2+) bis(4-cyclohexylbutanoate),[Mn+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1,[Mn+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1,"InChI=1/2C10H18O2.Mn/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",C10H18O2.1/2Mn,,,,,,QZKJUBKNJKLMIB-UHFFFAOYSA-L,,,,,,,,,,,
100.047.815,252-612-4,35543-25-0,4-pyrrolidin-1-ylbutyronitrile,4-pyrrolidin-1-ylbutanenitrile,N#CCCCN1CCCC1,N#CCCCN1CCCC1,"InChI=1/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h1-4,6-8H2",C8H14N2,,,,,,OSDDDHPYSNZBPF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.816,252-614-5,35553-92-5,Ethyl 3-methoxyphenylacetate,ethyl (3-methoxyphenyl)acetate,CCOC(=O)Cc1cccc(OC)c1,CCOC(=O)Cc1cccc(OC)c1,"InChI=1/C11H14O3/c1-3-14-11(12)8-9-5-4-6-10(7-9)13-2/h4-7H,3,8H2,1-2H3",C11H14O3,,,,,,XXVVNHCWPHMLEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.824,252-622-9,35569-11-0,(di-tert-butyl)dimethylstannane,di-tert-butyl(dimethyl)stannane,CC(C)(C)[Sn](C)(C)C(C)(C)C,CC(C)(C)[Sn](C)(C)C(C)(C)C,"InChI=1/2C4H9.2CH3.Sn/c2*1-4(2)3;;;/h2*1-3H3;2*1H3;/rC10H24Sn/c1-9(2,3)11(7,8)10(4,5)6/h1-8H3",C10H24Sn,,,,,,BYZIKHGJWTVMSX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.825,252-623-4,35573-93-4,"3-chloro-1,1-diethoxypropane","3-chloro-1,1-diethoxypropane",CCOC(CCCl)OCC,CCOC(CCCl)OCC,"InChI=1/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3",C7H15ClO2,,,,,,NXHONHDWVLPPCS-UHFFFAOYSA-N,,,,,,,,,,,
100.047.828,252-627-6,35576-05-7,"1H,3H,5H-oxazolo[3,4-c]oxazol-7a(7H)-ylmethyl laurate","1H-[1,3]oxazolo[3,4-c][1,3]oxazol-7a(7H)-ylmethyl laurate",CCCCCCCCCCCC(=O)OCC12COCN1COC2,CCCCCCCCCCCC(=O)OCC12COCN1COC2,"InChI=1/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-18-12-21-15-19(18)16-22-13-18/h2-16H2,1H3",C18H33NO4,,,,,,QRHOVIGWDUTIHK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.829,252-628-1,35578-47-3,Bis(4-bromophenyl)ethanedione,"1,2-bis(4-bromophenyl)ethane-1,2-dione",Brc1ccc(cc1)C(=O)C(=O)c2ccc(Br)cc2,Brc1ccc(cc1)C(=O)C(=O)c2ccc(Br)cc2,InChI=1/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H,C14H8Br2O2,,,,,,NYCBYBDDECLFPE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.831,252-630-2,35580-87-1,o-hydroxyphenyl carbamate,2-hydroxyphenyl carbamate,NC(=O)Oc1ccccc1O,NC(=O)Oc1ccccc1O,"InChI=1/C7H7NO3/c8-7(10)11-6-4-2-1-3-5(6)9/h1-4,9H,(H2,8,10)",C7H7NO3,,,,,,BIHORWRPXKVBIH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.832,252-631-8,35589-28-7,Sodium 5-aminosalicylate,sodium 5-amino-2-hydroxybenzoate,[Na+].Nc1ccc(O)c(c1)C(=O)[O-],[Na+].Nc1ccc(O)c(c1)C(=O)[O-],"InChI=1/C7H7NO3.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1",C7H7NO3.Na,,,,,,AWDRBBZJLVNKQS-UHFFFAOYSA-M,,,,,,,,,,,
100.047.842,252-642-8,35608-64-1,Ethyl (±)-3-hydroxybutyrate,ethyl 3-hydroxybutanoate,CCOC(=O)CC(C)O,CCOC(=O)CC(C)O,"InChI=1/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,OMSUIQOIVADKIM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.992,255-009-4,40628-77-1,a-butylphenethyl acetate,1-benzylpentyl acetate,CCCCC(Cc1ccccc1)OC(=O)C,CCCCC(Cc1ccccc1)OC(=O)C,"InChI=1/C14H20O2/c1-3-4-10-14(16-12(2)15)11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3",C14H20O2,,,,,,VBVKRNQURKLZNX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.995,255-013-6,40630-65-7,"N-allyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide","N-allyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCC=C,"InChI=1/C7H6F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h2,17H,1,3H2",C7H6F9NO2S,,,,,,CZDUSUUDDSHUFI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.334,250-984-2,32305-98-9,"(-)-2,2-dimethyl-4,5-((diphenylphosphino)dimethyl)dioxolane","[(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)]bis(diphenylphosphine)",CC1(C)OC(CP(c2ccccc2)c3ccccc3)C(CP(c4ccccc4)c5ccccc5)O1,CC1(C)OC(CP(c2ccccc2)c3ccccc3)C(CP(c4ccccc4)c5ccccc5)O1,"InChI=1/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3",C31H32O2P2,,,,,,VCHDBLPQYJAQSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.340,250-991-0,32327-52-9,"Tris(1,2-dimethylpropyl)borane","tris(1,2-dimethylpropyl)borane",CC(C)C(C)B(C(C)C(C)C)C(C)C(C)C,CC(C)C(C)B(C(C)C(C)C)C(C)C(C)C,"InChI=1/C15H33B/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6/h10-15H,1-9H3",C15H33B,,,,,,UZMMTBDONLVQMH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.345,250-996-8,32339-43-8,Decyltriphenylphosphonium bromide,decyl(triphenyl)phosphonium bromide,[Br-].CCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Br-].CCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C28H36P.BrH/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1",C28H36P.Br,,,,,,GVPLMQGXUUHCSB-UHFFFAOYSA-M,,,,,,,,,,,
100.070.386,277-448-0,73398-50-2,"Tetrasodium 2,2'-[[6-anilino-1,3,5-triazine-2,4-diyl]bis[imino(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]","tetrasodium 2,2'-{(6-anilino-1,3,5-triazine-2,4-diyl)bis[imino(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis{5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate}",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc2ccc(cc2C)Nc6nc(nc(Nc5ccc(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O)c(C)c5)n6)Nc7ccccc7)c(c8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc2ccc(cc2C)Nc6nc(nc(Nc5ccc(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O)c(C)c5)n6)Nc7ccccc7)c(c8)S([O-])(=O)=O,"InChI=1/C47H38N14O12S4.4Na/c1-28-24-33(12-20-39(28)58-60-41-22-14-35(26-43(41)76(68,69)70)56-54-31-8-16-37(17-9-31)74(62,63)64)49-46-51-45(48-30-6-4-3-5-7-30)52-47(53-46)50-34-13-21-40(29(2)25-34)59-61-42-23-15-36(27-44(42)77(71,72)73)57-55-32-10-18-38(19-11-32)75(65,66)67;;;;/h3-27H,1-2H3,(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H3,48,49,50,51,52,53);;;;/q;4*+1/p-4",C47H38N14O12S4.4Na,,,,,,GWHDJAXRFUYDED-UHFFFAOYSA-J,,,,,,,,,,,
100.070.396,277-459-0,73398-89-7,"3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium tetrachlorozincate","bis{3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthenium} tetrachlorozincate(2-)",CCN(CC)c1ccc2c(c3ccccc3C(=O)OC)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)OC)c8ccc(cc8[o+]c6c5)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc2c(c3ccccc3C(=O)OC)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)OC)c8ccc(cc8[o+]c6c5)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C29H33N2O3.4ClH.Zn/c2*1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;;;;;/h2*10-19H,6-9H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4/r2C29H33N2O3.Cl4Zn/c2*1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;1-5(2,3)4/h2*10-19H,6-9H2,1-5H3;/q2*+1;-2",C29H33N2O3.1/2Cl4Zn,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16883,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.396,NILXVRMPJNDXNM-UHFFFAOYSA-J,,,,,,,,,,,
100.053.895,259-304-9,54718-99-9,"1-(dimethylamino)propane-1,3-diol","1-(dimethylamino)propane-1,3-diol",CN(C)C(O)CCO,CN(C)C(O)CCO,"InChI=1/C5H13NO2/c1-6(2)5(8)3-4-7/h5,7-8H,3-4H2,1-2H3",C5H13NO2,,,,,,DTWQXQRQHDSUED-UHFFFAOYSA-N,,,,,,,,,,,
100.053.899,259-309-6,54729-80-5,N-[(triethoxysilyl)methyl]butylamine,N-[(triethoxysilyl)methyl]butan-1-amine,CCCCNC[Si](OCC)(OCC)OCC,CCCCNC[Si](OCC)(OCC)OCC,"InChI=1/C11H27NO3Si/c1-5-9-10-12-11-16(13-6-2,14-7-3)15-8-4/h12H,5-11H2,1-4H3",C11H27NO3Si,,,,,,NUIHYBYNCRBAJK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.903,259-313-8,54736-47-9,1-[(2-piperazin-1-ylethyl)amino]propan-2-ol,1-[(2-piperazin-1-ylethyl)amino]propan-2-ol,CC(O)CNCCN1CCNCC1,CC(O)CNCCN1CCNCC1,"InChI=1/C9H21N3O/c1-9(13)8-11-4-7-12-5-2-10-3-6-12/h9-11,13H,2-8H2,1H3",C9H21N3O,,,,,,IFJMAOCMMIEGBE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.904,259-314-3,54736-56-0,"Bis[2-[2-[(2-methyl-1-oxoallyl)oxy]ethoxy]ethyl] cyclohex-4-ene-1,2-dicarboxylate","bis{2-[2-(methacryloyloxy)ethoxy]ethyl} cyclohex-4-ene-1,2-dicarboxylate",CC(=C)C(=O)OCCOCCOC(=O)C1CC=CCC1C(=O)OCCOCCOC(=O)C(=C)C,CC(=C)C(=O)OCCOCCOC(=O)C1CC=CCC1C(=O)OCCOCCOC(=O)C(=C)C,"InChI=1/C24H34O10/c1-17(2)21(25)31-13-9-29-11-15-33-23(27)19-7-5-6-8-20(19)24(28)34-16-12-30-10-14-32-22(26)18(3)4/h5-6,19-20H,1,3,7-16H2,2,4H3",C24H34O10,,,,,,LVQHBPVYGHLPAK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.906,259-316-4,54746-52-0,N-(1-oxobutyl)-L-methionine,N-butyryl-L-methionine,CCCC(=O)N[C@@H](CCSC)C(=O)O,CCCC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C9H17NO3S/c1-3-4-8(11)10-7(9(12)13)5-6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)",C9H17NO3S,,,,,,NZIOTNYOYJRBSN-ZETCQYMHSA-N,,,,,,,,,,,
100.053.914,259-325-3,54761-91-0,"4-(6-amino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate","4-(6-amino-4-oxo-1,4-dihydro-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate",C[N+]1(CCOCC1)C2=NC(=O)N=C(N)N2.F[B-](F)(F)F,C[N+]1(CCOCC1)C2=NC(=O)N=C(N)N2.F[B-](F)(F)F,"InChI=1/C8H13N5O2.BF4/c1-13(2-4-15-5-3-13)7-10-6(9)11-8(14)12-7;2-1(3,4)5/h2-5H2,1H3,(H2-,9,10,11,12,14);/q;-1/p+1",C8H14N5O2.BF4,,,,,,QLJGYHNOHMFBRK-UHFFFAOYSA-O,,,,,,,,,,,
100.053.915,259-326-9,54762-86-6,Endo-1-(4-bicyclo[2.2.1]hept-2-ylphenyl)ethan-1-one,1-(4-bicyclo[2.2.1]hept-2-ylphenyl)ethanone,CC(=O)c1ccc(cc1)C2CC3CCC2C3,CC(=O)c1ccc(cc1)C2CC3CCC2C3,"InChI=1/C15H18O/c1-10(16)12-4-6-13(7-5-12)15-9-11-2-3-14(15)8-11/h4-7,11,14-15H,2-3,8-9H2,1H3",C15H18O,,,,,,RIQCUGGXKQATJX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.033,278-159-2,75268-71-2,"Benzoic acid, 2-hydroxy-5-[[4-[[4-[[8-hydroxy-7-[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]azo]-3,6-disulfo-1-naphthalenyl]amino]-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]-, pentasodium salt","pentasodium 2-hydroxy-5-({4-[(4-{[8-hydroxy-7-({4-[(8-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}diazenyl)-3,6-disulfonato-1-naphthyl]amino}-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl)amino]phenyl}diazenyl)benzoate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc2cc(OC)c(cc2C)N=Nc3c(O)c8c(cc3S([O-])(=O)=O)cc(cc8Nc6nc(Nc5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)cc5)nc(n6)N(C)c7ccccc7)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc2cc(OC)c(cc2C)N=Nc3c(O)c8c(cc3S([O-])(=O)=O)cc(cc8Nc6nc(Nc5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)cc5)nc(n6)N(C)c7ccccc7)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C51H40N12O18S4.5Na/c1-25-15-37(42(81-3)24-36(25)59-61-39-22-33(83(72,73)74)16-26-17-34(84(75,76)77)23-41(65)44(26)39)60-62-46-43(85(78,79)80)19-27-18-32(82(69,70)71)21-38(45(27)47(46)66)53-50-54-49(55-51(56-50)63(2)31-7-5-4-6-8-31)52-28-9-11-29(12-10-28)57-58-30-13-14-40(64)35(20-30)48(67)68;;;;;/h4-24,64-66H,1-3H3,(H,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,52,53,54,55,56);;;;;/q;5*+1/p-5",C51H40N12O18S4.5Na,,,,,,MQWSONOCLFNIKR-UHFFFAOYSA-I,,,,,,,,,,,
100.046.376,251-030-8,32425-60-8,"4-[5-(3-carboxy-5-hydroxy-1-phenyl-1H-pyrazol-4-yl)penta-2,4-dienylidene]-4,5-dihydroxy-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid","4-[5-(3-carboxy-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)penta-1,3-dien-1-yl]-5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1=CC=CC=Cc2c(O)n(nc2C(=O)O)c3ccccc3)c4ccccc4,OC(=O)C1=NN(C(=O)C1=CC=CC=Cc2c(O)n(nc2C(=O)O)c3ccccc3)c4ccccc4,"InChI=1/C25H18N4O6/c30-22-18(20(24(32)33)26-28(22)16-10-4-1-5-11-16)14-8-3-9-15-19-21(25(34)35)27-29(23(19)31)17-12-6-2-7-13-17/h1-15,30H,(H,32,33)(H,34,35)",C25H18N4O6,,,,,,VXFAMJGPMZADFW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.382,251-037-6,32428-86-7,1-cyclohexyl-3-[3-(2-hydroxyethoxy)propyl]thiourea,1-cyclohexyl-3-[3-(2-hydroxyethoxy)propyl]thiourea,OCCOCCCNC(=S)NC1CCCCC1,OCCOCCCNC(=S)NC1CCCCC1,"InChI=1/C12H24N2O2S/c15-8-10-16-9-4-7-13-12(17)14-11-5-2-1-3-6-11/h11,15H,1-10H2,(H2,13,14,17)",C12H24N2O2S,,,,,,GCWWUDJEVIFPGV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.384,251-039-7,32432-55-6,"3,5-diamino-2,4,6-trimethylbenzenesulphonic acid","3,5-diamino-2,4,6-trimethylbenzenesulfonic acid",Cc1c(N)c(C)c(c(C)c1N)S(=O)(=O)O,Cc1c(N)c(C)c(c(C)c1N)S(=O)(=O)O,"InChI=1/C9H14N2O3S/c1-4-7(10)5(2)9(15(12,13)14)6(3)8(4)11/h10-11H2,1-3H3,(H,12,13,14)",C9H14N2O3S,,,,,,PKKGGWLTUCMSSD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.389,251-044-4,32444-63-6,p-(dimethylamino)cinnamonitrile,3-[4-(dimethylamino)phenyl]acrylonitrile,CN(C)c1ccc(\\C=C\\C#N)cc1,CN(C)c1ccc(\C=C\C#N)cc1,"InChI=1/C11H12N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h3-8H,1-2H3",C11H12N2,,,,,,CSCOHKCYDZVRMQ-ONEGZZNKSA-N,,,,,,,,,,,
100.046.391,251-047-0,32445-13-9,4-[(4-methoxyphenyl)amino]benzenediazonium,4-[(4-methoxyphenyl)amino]benzenediazonium,COc1ccc(Nc2ccc(cc2)[N+]#N)cc1,COc1ccc(Nc2ccc(cc2)[N+]#N)cc1,"InChI=1/C13H12N3O/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10/h2-9,15H,1H3/q+1",C13H12N3O,,,,,,VTTTXQSHPXIRJX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.393,251-049-1,32447-93-1,Ethyl trans-(+)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride,Cl.CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c2ccccc2,Cl.CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c2ccccc2,"InChI=1/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H",C17H23NO2.ClH,,,,,,MUWDJVKYGSDUSH-KPVRICSOSA-N,,,,,,,,,,,
100.046.403,251-060-1,32457-96-8,"2,5-dibutoxy-4-(morpholin-4-yl)benzenediazonium trichlorozincate","2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium trichlorozincate(1-)",CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.Cl[Zn-](Cl)Cl,CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C18H28N3O3.3ClH.Zn/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;;;;/h13-14H,3-12H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC18H28N3O3.Cl3Zn/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;1-4(2)3/h13-14H,3-12H2,1-2H3;/q+1;-1",C18H28N3O3.Cl3Zn,,,,,,DPSHVJVLUUPJAI-UHFFFAOYSA-K,,,,,,,,,,,
100.046.405,251-062-2,32466-55-0,(E)-tridec-2-enoic acid,tridec-2-enoic acid,CCCCCCCCCC\\C=C\\C(=O)O,CCCCCCCCCC\C=C\C(=O)O,"InChI=1/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)",C13H24O2,,,,,,GQVYBECSNBLQJV-VAWYXSNFSA-N,,,,,,,,,,,
100.046.406,251-063-8,32477-35-3,"1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1H-imidazole","1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1H-imidazole",FC(F)(F)C(F)(F)C(F)(F)C(=O)n1ccnc1,FC(F)(F)C(F)(F)C(F)(F)C(=O)n1ccnc1,"InChI=1/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H",C7H3F7N2O,,,,,,MSYHGYDAVLDKCE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.409,251-066-4,32497-38-4,"N,N'-(9,9',10,10'-tetrahydro-9,9',10',10'-tetraoxo[1,1'-bianthracene]-2,2'-diyl)bisacetamide","N,N'-(9,9',10,10'-tetraoxo-9,9',10,10'-tetrahydro-1,1'-bianthracene-2,2'-diyl)diacetamide",CC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1c4c(NC(=O)C)ccc5C(=O)c6ccccc6C(=O)c45,CC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1c4c(NC(=O)C)ccc5C(=O)c6ccccc6C(=O)c45,"InChI=1/C32H20N2O6/c1-15(35)33-23-13-11-21-25(31(39)19-9-5-3-7-17(19)29(21)37)27(23)28-24(34-16(2)36)14-12-22-26(28)32(40)20-10-6-4-8-18(20)30(22)38/h3-14H,1-2H3,(H,33,35)(H,34,36)",C32H20N2O6,,,,,,GDFOHGQLIJYMJE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.411,251-069-0,32503-34-7,Tetrahexylammonium hydrogen sulphate,"N,N,N-trihexylhexan-1-aminium hydrogen sulfate",CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-]S(=O)(=O)[O-],CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-]S(=O)(=O)[O-],"InChI=1/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C24H52N.HO4S,,,,,,RULHPTADXJPDSN-UHFFFAOYSA-L,,,,,,,,,,,
100.046.414,251-072-7,32509-55-0,Decyl stearate,decyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,"InChI=1/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h3-27H2,1-2H3",C28H56O2,,,,,,KBODESQIOVVMAI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.658,279-947-9,82432-28-8,"N,N,N-trimethyl-4-[(1-oxooctadecyl)amino]anilinium methyl sulphate","N,N,N-trimethyl-4-(stearoylamino)anilinium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C27H48N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-25-21-23-26(24-22-25)29(2,3)4;1-5-6(2,3)4/h21-24H,5-20H2,1-4H3;1H3,(H,2,3,4)",C27H49N2O.CH3O4S,,,,,,ONOUXANYVOEFTK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.302,250-949-1,32190-99-1,"2,6-diamino-4-(diethylamino)phenol trihydrochloride","2,6-diamino-4-(diethylamino)phenol trihydrochloride",Cl.Cl.Cl.CCN(CC)c1cc(N)c(O)c(N)c1,Cl.Cl.Cl.CCN(CC)c1cc(N)c(O)c(N)c1,"InChI=1/C10H17N3O.3ClH/c1-3-13(4-2)7-5-8(11)10(14)9(12)6-7;;;/h5-6,14H,3-4,11-12H2,1-2H3;3*1H",C10H17N3O.3ClH,,,,,,JSHIBKQQGTTWLW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.303,250-950-7,32202-61-2,Indan-4-amine,indan-4-amine,Nc1cccc2CCCc12,Nc1cccc2CCCc12,"InChI=1/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5,10H2",C9H11N,,,,,,RXTJLDXSGNEJIT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.304,250-951-2,32208-02-9,Methyltris[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate,"N-methyl-2-(stearoyloxy)-N,N-bis[2-(stearoyloxy)ethyl]ethanaminium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C61H120NO6.CH4O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)66-56-53-62(4,54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-58-68-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5-6(2,3)4/h5-58H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C61H120NO6.CH3O4S,,,,,,MXPIICVCANXTMS-UHFFFAOYSA-M,,,,,,,,,,,
100.046.309,250-957-5,32213-95-9,Dimethyl L-aspartate hydrochloride,dimethyl L-aspartate hydrochloride,Cl.COC(=O)C[C@H](N)C(=O)OC,Cl.COC(=O)C[C@H](N)C(=O)OC,"InChI=1/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H",C6H11NO4.ClH,,,,,,PNLXWGDXZOYUKB-WCCKRBBISA-N,,,,,,,,,,,
100.046.322,250-971-1,32247-96-4,"1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene","1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene",FC(F)(F)c1cc(CBr)cc(c1)C(F)(F)F,FC(F)(F)c1cc(CBr)cc(c1)C(F)(F)F,"InChI=1/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2",C9H5BrF6,,,,,,ATLQGZVLWOURFU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.330,250-980-0,32283-97-9,"2,9-bis(p-tolyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(4-methylphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",Cc1ccc(cc1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(C)cc9,Cc1ccc(cc1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(C)cc9,"InChI=1/C38H22N2O4/c1-19-3-7-21(8-4-19)39-35(41)27-15-11-23-25-13-17-29-34-30(38(44)40(37(29)43)22-9-5-20(2)6-10-22)18-14-26(32(25)34)24-12-16-28(36(39)42)33(27)31(23)24/h3-18H,1-2H3",C38H22N2O4,,,,,,FLJPTGKMAMMVDC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.333,250-983-7,32295-18-4,Tosifen,4-methyl-N-[(1-methyl-2-phenylethyl)carbamoyl]benzenesulfonamide,CC(Cc1ccccc1)NC(=O)NS(=O)(=O)c2ccc(C)cc2,CC(Cc1ccccc1)NC(=O)NS(=O)(=O)c2ccc(C)cc2,"InChI=1/C17H20N2O3S/c1-13-8-10-16(11-9-13)23(21,22)19-17(20)18-14(2)12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,18,19,20)",C17H20N2O3S,,,,,,XILWEASNBDKGSA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.341,250-992-6,32328-03-3,Diethyl 3-hydroxyglutarate,diethyl 3-hydroxypentanedioate,CCOC(=O)CC(O)CC(=O)OCC,CCOC(=O)CC(O)CC(=O)OCC,"InChI=1/C9H16O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h7,10H,3-6H2,1-2H3",C9H16O5,,,,,,OLLQYIBTJXUEEX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.342,250-993-1,32332-65-3,"4-[(2,5-dichlorophenyl)azo]-3-hydroxy-2-naphtho-o-toluidide","4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide",Cc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(Cl)ccc4Cl)c2O,Cc1ccccc1NC(=O)c2cc3ccccc3c(N=Nc4cc(Cl)ccc4Cl)c2O,"InChI=1/C24H17Cl2N3O2/c1-14-6-2-5-9-20(14)27-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)29-28-21-13-16(25)10-11-19(21)26/h2-13,30H,1H3,(H,27,31)",C24H17Cl2N3O2,,,,,,VMZHEMAZGRUVNX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.344,250-995-2,32339-03-0,Sodium N-benzylsulphanilate,sodium 4-(benzylamino)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(NCc2ccccc2)cc1,[Na+].[O-]S(=O)(=O)c1ccc(NCc2ccccc2)cc1,"InChI=1/C13H13NO3S.Na/c15-18(16,17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14H,10H2,(H,15,16,17);/q;+1/p-1",C13H13NO3S.Na,,,,,,QSJBCWFEIGFVGB-UHFFFAOYSA-M,,,,,,,,,,,
100.070.377,277-438-6,73398-40-0,"Disodium 4-[[5-(aminocarbonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl]azo]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulphonate","disodium 4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl)diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonate",[Na+].[Na+].OC3C(N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)c(cc2S([O-])(=O)=O)S([O-])(=O)=O)C(C)C(C(=O)N3CC)C(N)=O,[Na+].[Na+].OC3C(N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)c(cc2S([O-])(=O)=O)S([O-])(=O)=O)C(C)C(C(=O)N3CC)C(N)=O,"InChI=1/C18H20Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-6,11-12,15,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2",C18H20Cl2N8O9S2.2Na,,,,,,BLUQNUCXKILVND-UHFFFAOYSA-L,,,,,,,,,,,
100.049.996,255-014-1,40632-70-0,"2-methyl-2-(6-methylhept-6-enyl)-1,3-dioxolane","2-methyl-2-(6-methylhept-6-en-1-yl)-1,3-dioxolane",CC(=C)CCCCCC1(C)OCCO1,CC(=C)CCCCCC1(C)OCCO1,"InChI=1/C12H22O2/c1-11(2)7-5-4-6-8-12(3)13-9-10-14-12/h1,4-10H2,2-3H3",C12H22O2,,,,,,DEFCHNJPYHQGCT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.997,255-015-7,40633-14-5,"Ammonium O,O-dimethyl thiophosphate","ammonium O,O-dimethyl thiophosphate",[NH4+].COP(=O)([S-])OC,[NH4+].COP(=O)([S-])OC,"InChI=1/C2H7O3PS.H3N/c1-4-6(3,7)5-2;/h1-2H3,(H,3,7);1H3",C2H7O3PS.H3N,,,,,,GIUYHMYPEVIYCM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.999,255-017-8,40637-56-7,Dimethyl allylmalonate,dimethyl allylmalonate,COC(=O)C(CC=C)C(=O)OC,COC(=O)C(CC=C)C(=O)OC,"InChI=1/C8H12O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H3",C8H12O4,,,,,,VZNFVLWVVHHMBG-UHFFFAOYSA-N,,,,,,,,,,,
100.051.500,256-669-6,50634-76-9,4-(2-aminoethoxy)phenol,4-(2-aminoethoxy)phenol,NCCOc1ccc(O)cc1,NCCOc1ccc(O)cc1,"InChI=1/C8H11NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2",C8H11NO2,,,,,,QSDOKFGRSJQNMX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.502,256-671-7,50637-63-3,"2,8-dibromochrysene","2,8-dibromochrysene",Brc1ccc2c(ccc3c4ccc(Br)cc4ccc23)c1,Brc1ccc2c(ccc3c4ccc(Br)cc4ccc23)c1,InChI=1/C18H10Br2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h1-10H,C18H10Br2,,,,,,WTZGPARNWJTIBL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.514,256-684-8,50649-60-0,4-pentylphenyl 4-propylbenzoate,4-pentylphenyl 4-propylbenzoate,CCCCCc1ccc(OC(=O)c2ccc(CCC)cc2)cc1,CCCCCc1ccc(OC(=O)c2ccc(CCC)cc2)cc1,"InChI=1/C21H26O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h9-16H,3-8H2,1-2H3",C21H26O2,,,,,,WNBFPAKRCJNBBS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.516,256-686-9,50651-39-3,N-(4-methoxy-3-nitrophenyl)acetamide,N-(4-methoxy-3-nitrophenyl)acetamide,COc1ccc(NC(=O)C)cc1[N+](=O)[O-],COc1ccc(NC(=O)C)cc1[N+](=O)[O-],"InChI=1/C9H10N2O4/c1-6(12)10-7-3-4-9(15-2)8(5-7)11(13)14/h3-5H,1-2H3,(H,10,12)",C9H10N2O4,,,,,,MYIUWCZXTNZSMN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.519,256-690-0,50657-68-6,Benzylidene bismethacrylate,phenylmethylene bis(2-methylacrylate),CC(=C)C(=O)OC(OC(=O)C(=C)C)c1ccccc1,CC(=C)C(=O)OC(OC(=O)C(=C)C)c1ccccc1,"InChI=1/C15H16O4/c1-10(2)13(16)18-15(19-14(17)11(3)4)12-8-6-5-7-9-12/h5-9,15H,1,3H2,2,4H3",C15H16O4,,,,,,SWEHHQLBBNUKMP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.531,256-704-5,50671-00-6,"N-(3-amino-4-chlorophenyl)-2-(2,4-di-tert-pentylphenoxy)acetamide","N-(3-amino-4-chlorophenyl)-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetamide",CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)c(c1)C(C)(C)CC,"InChI=1/C24H33ClN2O2/c1-7-23(3,4)16-9-12-21(18(13-16)24(5,6)8-2)29-15-22(28)27-17-10-11-19(25)20(26)14-17/h9-14H,7-8,15,26H2,1-6H3,(H,27,28)",C24H33ClN2O2,,,,,,VJBWNWHIBDSGSK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.535,256-708-7,50678-52-9,16-a-chloro-20-oxopregn-5-en-3-ß-yl acetate,16-chloro-20-oxopregn-5-en-3-yl acetate,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](Cl)[C@@H]4C(=O)C)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](Cl)[C@@H]4C(=O)C)[C@@H]3CC=C2C1,"InChI=1/C23H33ClO3/c1-13(25)21-20(24)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-21H,6-12H2,1-4H3",C23H33ClO3,,,,,,VEIABLNKNSOQQY-LXGBQXIBSA-N,,,,,,,,,,,
100.051.177,256-314-5,47428-52-4,"2-amino-9-methoxy-1H-xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione","2-amino-9-methoxy-1H-benzo[3,4]isochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione",COc1ccc2Oc3ccc4C(=O)N(N)C(=O)c5ccc(c2c1)c3c45,COc1ccc2Oc3ccc4C(=O)N(N)C(=O)c5ccc(c2c1)c3c45,"InChI=1/C19H12N2O4/c1-24-9-2-6-14-13(8-9)10-3-4-11-16-12(19(23)21(20)18(11)22)5-7-15(25-14)17(10)16/h2-8H,20H2,1H3",C19H12N2O4,,,,,,GTRUASFUIDLKBE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.178,256-315-0,47450-63-5,3-methyl-2-[2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]benzothiazolium iodide,"3-methyl-2-{2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium iodide",[I-].C[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2C,[I-].C[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2C,"InChI=1/C21H21N2S2.HI/c1-4-15(13-20-22(2)16-9-5-7-11-18(16)24-20)14-21-23(3)17-10-6-8-12-19(17)25-21;/h5-14H,4H2,1-3H3;1H/q+1;/p-1",C21H21N2S2.I,,,,,,PXNGPTDWDCOFFI-UHFFFAOYSA-M,,,,,,,,,,,
100.051.179,256-316-6,47458-32-2,"Dihydro-3-octadecylfuran-2,5-dione","3-octadecyldihydrofuran-2,5-dione",CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O,CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h20H,2-19H2,1H3",C22H40O3,,,,,,ZJFCVUTYZHUNSW-UHFFFAOYSA-N,,,,,,,,,,,
100.051.183,256-320-8,47553-71-9,"N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-isoleucine",N-[(1-biphenyl-4-yl-1-methylethoxy)carbonyl]-L-isoleucine,CCC(C)[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O,CCC(C)[C@H](NC(=O)OC(C)(C)c1ccc(cc1)c2ccccc2)C(=O)O,"InChI=1/C22H27NO4/c1-5-15(2)19(20(24)25)23-21(26)27-22(3,4)18-13-11-17(12-14-18)16-9-7-6-8-10-16/h6-15,19H,5H2,1-4H3,(H,23,26)(H,24,25)",C22H27NO4,,,,,,MKKCVNJPERCQBR-FUBQLUNQSA-N,,,,,,,,,,,
100.053.917,259-329-5,54767-44-1,"(R*,R*)-4-[isopropylthio]-a-[1-(octylamino)ethyl]benzyl alcohol",1-[4-(isopropylsulfanyl)phenyl]-2-(octylamino)propan-1-ol,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,"InChI=1/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3",C20H35NOS,,,,,,BFCDFTHTSVTWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.918,259-330-0,54767-71-4,"(R*,S*)-4-[isopropylthio]-a-[1-(octylamino)ethyl]benzyl alcohol hydrochloride",1-[4-(isopropylsulfanyl)phenyl]-2-(octylamino)propan-1-ol hydrochloride,Cl.CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,Cl.CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,"InChI=1/C20H35NOS.ClH/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3;/h11-14,16-17,20-22H,5-10,15H2,1-4H3;1H",C20H35NOS.ClH,,,,,,JRJJHIUHSILDOH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.919,259-331-6,54767-74-7,"(R*,R*)-4-[isopropylthio]-a-[1-(octylamino)ethyl]benzyl alcohol hydrochloride",1-[4-(isopropylsulfanyl)phenyl]-2-(octylamino)propan-1-ol hydrochloride,Cl.CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,Cl.CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,"InChI=1/C20H35NOS.ClH/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3;/h11-14,16-17,20-22H,5-10,15H2,1-4H3;1H",C20H35NOS.ClH,,,,,,JRJJHIUHSILDOH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.920,259-332-1,54767-75-8,"(R*,S*)-4-[isopropylthio]-a-[1-(octylamino)ethyl]benzyl alcohol",1-[4-(isopropylsulfanyl)phenyl]-2-(octylamino)propan-1-ol,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,"InChI=1/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3",C20H35NOS,,,,,,BFCDFTHTSVTWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.927,259-340-5,54773-22-7,"2,6-dinonylphenol","2,6-dinonylphenol",CCCCCCCCCc1cccc(CCCCCCCCC)c1O,CCCCCCCCCc1cccc(CCCCCCCCC)c1O,"InChI=1/C24H42O/c1-3-5-7-9-11-13-15-18-22-20-17-21-23(24(22)25)19-16-14-12-10-8-6-4-2/h17,20-21,25H,3-16,18-19H2,1-2H3",C24H42O,,,,,,CVIAERHUEXHJNW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.929,259-342-6,54778-36-8,"2,2,2-trichloroethyl 5-oxo-L-prolinate","2,2,2-trichloroethyl 5-oxo-L-prolinate",ClC(Cl)(Cl)COC(=O)[C@@H]1CCC(=O)N1,ClC(Cl)(Cl)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C7H8Cl3NO3/c8-7(9,10)3-14-6(13)4-1-2-5(12)11-4/h4H,1-3H2,(H,11,12)",C7H8Cl3NO3,,,,,,UHZBUEBSVFCHDH-BYPYZUCNSA-N,,,,,,,,,,,
100.072.662,279-952-6,82457-10-1,"3-methoxymethyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","3-(methoxymethyl)-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one",COCc1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25,COCc1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25,"InChI=1/C20H14N2O2/c1-24-11-12-9-10-14-18-13(12)5-4-6-15(18)20(23)22-17-8-3-2-7-16(17)21-19(14)22/h2-10H,11H2,1H3",C20H14N2O2,,,,,,MCSXTEUHUXINFC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.675,279-966-2,82457-23-6,Sodium 4-[4-[[3-methyl-4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo]anilino]benzenesulphonate,sodium 4-({4-[(3-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]phenyl}amino)benzenesulfonate,[Na+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2)S([O-])(=O)=O)cc3)c4ccc(C)cc4,[Na+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2)S([O-])(=O)=O)cc3)c4ccc(C)cc4,"InChI=1/C26H23N3O6S2.Na/c1-18-3-12-25(13-4-18)37(33,34)35-26-16-11-23(17-19(26)2)29-28-22-7-5-20(6-8-22)27-21-9-14-24(15-10-21)36(30,31)32;/h3-17,27H,1-2H3,(H,30,31,32);/q;+1/p-1",C26H23N3O6S2.Na,,,,,,QPHLPODATIAFML-UHFFFAOYSA-M,,,,,,,,,,,
100.072.692,279-985-6,82509-30-6,"Ammonium (1R)-[7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonate","ammonium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",[NH4+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2,[NH4+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2,"InChI=1/C10H16O4S.H3N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);1H3",C10H16O4S.H3N,,,,,,JTMZBRWRXFAITF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.349,251-000-4,32348-89-3,Dipotassium phenyl phosphate,dipotassium phenyl phosphate,[K+].[K+].[O-]P(=O)([O-])Oc1ccccc1,[K+].[K+].[O-]P(=O)([O-])Oc1ccccc1,"InChI=1/C6H7O4P.2K/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;2*+1/p-2",C6H7O4P.2K,,,,,,DVXOPOCXFDGNKS-UHFFFAOYSA-L,,,,,,,,,,,
100.046.350,251-002-5,32348-90-6,"(4-nitrophenyl) dihydrogen phosphate, magnesium salt (1:2)",-,[Mg+2].OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-],[Mg+2].OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H6NO6P.Mg/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;/h1-4H,(H2,10,11,12);/q;+2",C6H6NO6P.2Mg,,,,,,ZKQFFJINYSGALM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.351,251-003-0,32348-91-7,Diammonium 4-nitrophenyl phosphate,diammonium 4-nitrophenyl phosphate,[NH4+].[NH4+].[O-][N+](=O)c1ccc(OP(=O)([O-])[O-])cc1,[NH4+].[NH4+].[O-][N+](=O)c1ccc(OP(=O)([O-])[O-])cc1,"InChI=1/C6H6NO6P.2H3N/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;/h1-4H,(H2,10,11,12);2*1H3",C6H6NO6P.2H3N,,,,,,HMBDBPRVHYUSKG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.356,251-008-8,32351-70-5,Dimethylammonium 2-(4-chloro-2-methylphenoxy)propionate,N-methylmethanaminium 2-(4-chloro-2-methylphenoxy)propanoate,C[NH2+]C.CC(Oc1ccc(Cl)cc1C)C(=O)[O-],C[NH2+]C.CC(Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.C2H7N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-2/h3-5,7H,1-2H3,(H,12,13);3H,1-2H3",C10H11ClO3.C2H7N,,,,,,ROGDGDPDLIVQFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.872,277-982-4,74753-15-4,Dobutamine hydrobromide,"4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol hydrobromide",Br.CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2,Br.CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2,"InChI=1/C18H23NO3.BrH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H",C18H23NO3.BrH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19066,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.872,QMCDOYGKCFLHBO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.036,283-670-9,84696-65-1,"2-[3,5-di(tert-butyl)phenoxy]benzothiazole","2-(3,5-di-tert-butylphenoxy)-1,3-benzothiazole",CC(C)(C)c1cc(Oc2nc3ccccc3s2)cc(c1)C(C)(C)C,CC(C)(C)c1cc(Oc2nc3ccccc3s2)cc(c1)C(C)(C)C,"InChI=1/C21H25NOS/c1-20(2,3)14-11-15(21(4,5)6)13-16(12-14)23-19-22-17-9-7-8-10-18(17)24-19/h7-13H,1-6H3",C21H25NOS,,,,,,XRHBADLBPMKESE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.455,257-718-4,52185-71-4,"1-benzyl-2,2,6,6-tetramethylpiperidin-4-ol","1-benzyl-2,2,6,6-tetramethylpiperidin-4-ol",CC1(C)CC(O)CC(C)(C)N1Cc2ccccc2,CC1(C)CC(O)CC(C)(C)N1Cc2ccccc2,"InChI=1/C16H25NO/c1-15(2)10-14(18)11-16(3,4)17(15)12-13-8-6-5-7-9-13/h5-9,14,18H,10-12H2,1-4H3",C16H25NO,,,,,,VLTHAKKFNPUWSB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.456,257-720-5,52185-81-6,N-chlorocyclohexylamine,N-chlorocyclohexanamine,ClNC1CCCCC1,ClNC1CCCCC1,"InChI=1/C6H12ClN/c7-8-6-4-2-1-3-5-6/h6,8H,1-5H2",C6H12ClN,,,,,,SJGFVFYSANQLLE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.460,257-724-7,52187-80-1,7-(ß-D-glucopyranosyloxy)-2-[3-(ß-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-4H-1-benzopyran-4-one,5-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside,OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2",C27H30O16,,,,,,BISZYPSIZGKOFA-IPOZFMEPSA-N,,,,,,,,,,,
100.052.465,257-729-4,52199-46-9,"2,4,5-triethoxybenzophenone","phenyl(2,4,5-triethoxyphenyl)methanone",CCOc1cc(OCC)c(cc1OCC)C(=O)c2ccccc2,CCOc1cc(OCC)c(cc1OCC)C(=O)c2ccccc2,"InChI=1/C19H22O4/c1-4-21-16-13-18(23-6-3)17(22-5-2)12-15(16)19(20)14-10-8-7-9-11-14/h7-13H,4-6H2,1-3H3",C19H22O4,,,,,,ATJSQHQJQSASKB-UHFFFAOYSA-N,,,,,,,,,,,
100.052.471,257-736-2,52207-07-5,(S)-2-amino-3-benzylthio-N-(4-nitrophenyl)propionamide,S-benzyl-N-(4-nitrophenyl)cysteinamide,N[C@H](CSCc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],N[C@H](CSCc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)",C16H17N3O3S,,,,,,HOZQMLJHNCMSRC-OAHLLOKOSA-N,,,,,,,,,,,
100.052.483,257-749-3,52218-19-6,"2',4,4',6'-tetrahydroxy-3-methoxychalcone","3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one",COc1cc(\\C=C\\C(=O)c2c(O)cc(O)cc2O)ccc1O,COc1cc(\C=C\C(=O)c2c(O)cc(O)cc2O)ccc1O,"InChI=1/C16H14O6/c1-22-15-6-9(2-4-11(15)18)3-5-12(19)16-13(20)7-10(17)8-14(16)21/h2-8,17-18,20-21H,1H3",C16H14O6,,,,,,WQWVIIRCVOZVPN-HWKANZROSA-N,,,,,,,,,,,
100.052.487,257-754-0,52222-30-7,1-amino-2-bromo-4-(3-chloroanilino)anthraquinone,"1-amino-2-bromo-4-[(3-chlorophenyl)amino]-9,10-anthraquinone",Nc1c(Br)cc(Nc2cccc(Cl)c2)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Br)cc(Nc2cccc(Cl)c2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H12BrClN2O2/c21-14-9-15(24-11-5-3-4-10(22)8-11)16-17(18(14)23)20(26)13-7-2-1-6-12(13)19(16)25/h1-9,24H,23H2",C20H12BrClN2O2,,,,,,MHCBWGDHCLKTPC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.488,257-755-6,52222-87-4,6-hydroxy-2-naphthyl phenyl ketone,(6-hydroxy-2-naphthyl)(phenyl)methanone,Oc1ccc2cc(ccc2c1)C(=O)c3ccccc3,Oc1ccc2cc(ccc2c1)C(=O)c3ccccc3,"InChI=1/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H",C17H12O2,,,,,,MJKZGSBXCWNUHV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.043,278-170-2,75279-29-7,"4,4-bis[(tert-butyl)dioxy]-2,2,6,6-tetramethylpiperidine","4,4-bis(tert-butylperoxy)-2,2,6,6-tetramethylpiperidine",CC(C)(C)OOC1(CC(C)(C)NC(C)(C)C1)OOC(C)(C)C,CC(C)(C)OOC1(CC(C)(C)NC(C)(C)C1)OOC(C)(C)C,"InChI=1/C17H35NO4/c1-13(2,3)19-21-17(22-20-14(4,5)6)11-15(7,8)18-16(9,10)12-17/h18H,11-12H2,1-10H3",C17H35NO4,,,,,,KXBDQTYXCJTIEA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.044,278-171-8,75279-55-9,2-chloro-6-fluorophenylacetonitrile,(2-chloro-6-fluorophenyl)acetonitrile,Fc1cccc(Cl)c1CC#N,Fc1cccc(Cl)c1CC#N,"InChI=1/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2",C8H5ClFN,,,,,,ZGSAFMIRVLOISC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.378,277-439-1,73398-41-1,"Trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C23H14Cl2N6O10S3.3Na/c24-21-27-22(25)29-23(28-21)26-15-9-11(42(33,34)35)7-10-8-17(44(39,40)41)19(20(32)18(10)15)31-30-14-5-6-16(43(36,37)38)13-4-2-1-3-12(13)14;;;/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29);;;/q;3*+1/p-3",C23H14Cl2N6O10S3.3Na,,,,,,VDOVAGAGZHZURJ-UHFFFAOYSA-K,,,,,,,,,,,
100.070.395,277-458-5,73398-85-3,"a,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde","2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal",CC(CCC1C(=CCCC1(C)C)C)C=O,CC(CCC1C(=CCCC1(C)C)C)C=O,"InChI=1/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6,10-11,13H,5,7-9H2,1-4H3",C14H24O,,,,,,VDBFZEMBBKEKPI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.397,277-460-6,73398-96-6,"5-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile","5-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile",O=C3c2cccc(N=Nc1c(C)c(C#N)c(NCCOC)nc1NCCOC)c2C(=O)c4ccccc34,O=C3c2cccc(N=Nc1c(C)c(C#N)c(NCCOC)nc1NCCOC)c2C(=O)c4ccccc34,"InChI=1/C27H26N6O4/c1-16-20(15-28)26(29-11-13-36-2)31-27(30-12-14-37-3)23(16)33-32-21-10-6-9-19-22(21)25(35)18-8-5-4-7-17(18)24(19)34/h4-10H,11-14H2,1-3H3,(H2,29,30,31)",C27H26N6O4,,,,,,YYXXGEUJUGIQRT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.889,259-298-8,54707-83-4,"4,5-dihydro-2-[(2,4,6-trimethylphenyl)methyl]-1H-imidazole monohydrochloride","2-(mesitylmethyl)-4,5-dihydro-1H-imidazole hydrochloride",Cl.Cc1cc(C)c(CC2=NCCN2)c(C)c1,Cl.Cc1cc(C)c(CC2=NCCN2)c(C)c1,"InChI=1/C13H18N2.ClH/c1-9-6-10(2)12(11(3)7-9)8-13-14-4-5-15-13;/h6-7H,4-5,8H2,1-3H3,(H,14,15);1H",C13H18N2.ClH,,,,,,PPDOMMDYAGCCGF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.890,259-299-3,54711-21-6,5-amino-4-cyano-1H-pyrazole-3-acetonitrile,3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile,Nc1n[nH]c(CC#N)c1C#N,Nc1n[nH]c(CC#N)c1C#N,"InChI=1/C6H5N5/c7-2-1-5-4(3-8)6(9)11-10-5/h1H2,(H3,9,10,11)",C6H5N5,,,,,,GSXISOIYTHIBLC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.893,259-302-8,54714-50-0,Hexahydro-1H-azepine-1-acetonitrile,azepan-1-ylacetonitrile,N#CCN1CCCCCC1,N#CCN1CCCCCC1,"InChI=1/C8H14N2/c9-5-8-10-6-3-1-2-4-7-10/h1-4,6-8H2",C8H14N2,,,,,,OHKGIEVCPHMZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.900,259-310-1,54731-72-5,Dimethyl (2-hydroxyethyl)phosphonate,dimethyl (2-hydroxyethyl)phosphonate,COP(=O)(CCO)OC,COP(=O)(CCO)OC,"InChI=1/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3",C4H11O4P,,,,,,TZPPDWDHNIMTDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.905,259-315-9,54745-92-5,Quinoxaline-2-carbonyl chloride,quinoxaline-2-carbonyl chloride,ClC(=O)c1cnc2ccccc2n1,ClC(=O)c1cnc2ccccc2n1,InChI=1/C9H5ClN2O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H,C9H5ClN2O,,,,,,SOPDQKNXOCUBSR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.908,259-319-0,54749-86-9,"4-butyl-1,2-diphenylpyrazolidine-3,5-dione, compound with 4,5-dihydrothiazol-2-amine (1:1)","4-butyl-1,2-diphenylpyrazolidine-3,5-dione - 4,5-dihydro-1,3-thiazol-2-amine (1:1)",CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.NC4=NCCS4,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.NC4=NCCS4,"InChI=1/C19H20N2O2.C3H6N2S/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;4-3-5-1-2-6-3/h4-13,17H,2-3,14H2,1H3;1-2H2,(H2,4,5)",C19H20N2O2.C3H6N2S,,,,,,IMKNHLPRDSWAHW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.910,259-321-1,54750-09-3,"(1a,3ß,4a,6a)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",C[C@@H]1C[C@@H]2[C@H](C[C@H]1O)C2(C)C,C[C@@H]1C[C@@H]2[C@H](C[C@H]1O)C2(C)C,"InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,WHXOMZVLSNHION-LURQLKTLSA-N,,,,,,,,,,,
100.053.913,259-324-8,54759-71-6,"5-(ethylthio)-N-methyl-1,3,4-thiadiazol-2-amine","5-(ethylsulfanyl)-N-methyl-1,3,4-thiadiazol-2-amine",CCSc1nnc(NC)s1,CCSc1nnc(NC)s1,"InChI=1/C5H9N3S2/c1-3-9-5-8-7-4(6-2)10-5/h3H2,1-2H3,(H,6,7)",C5H9N3S2,,,,,,TVHNTVGLNZZCBS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.924,259-336-3,54773-19-2,"1,2-dichloro-3-(trifluoromethyl)benzene","1,2-dichloro-3-(trifluoromethyl)benzene",FC(F)(F)c1cccc(Cl)c1Cl,FC(F)(F)c1cccc(Cl)c1Cl,"InChI=1/C7H3Cl2F3/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H",C7H3Cl2F3,,,,,,BJYHBJUWZMHGGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.925,259-337-9,54773-20-5,"1,3-dichloro-5-(trifluoromethyl)benzene","1,3-dichloro-5-(trifluoromethyl)benzene",FC(F)(F)c1cc(Cl)cc(Cl)c1,FC(F)(F)c1cc(Cl)cc(Cl)c1,"InChI=1/C7H3Cl2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H",C7H3Cl2F3,,,,,,PCMPDUPKYRRIIP-UHFFFAOYSA-N,,,,,,,,,,,
100.051.197,256-336-5,47795-34-6,"[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosafluoro-10-(trifluoromethyl)undecyl]oxirane","2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosafluoro-10-(trifluoromethyl)undecyl]oxirane",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C14H5F23O/c15-4(16,1-3-2-38-3)6(18,19)8(22,23)10(26,27)12(30,31)11(28,29)9(24,25)7(20,21)5(17,13(32,33)34)14(35,36)37/h3H,1-2H2",C14H5F23O,,,,,,VUXJDZVQYBZCFC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.198,256-337-0,47818-40-6,"6-(9-carboxy-1-nonenyl)-4,5-dihexylcyclohex-2-ene-1-octanoic acid","10-[2-(7-carboxyheptyl)-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enoic acid",OC(=O)CCCCCCCC1/C=C\\C(CCCCCC)C(CCCCCC)C1C=CCCCCCCCC(O)=O,OC(=O)CCCCCCCC1/C=C\C(CCCCCC)C(CCCCCC)C1C=CCCCCCCCC(O)=O,"InChI=1/C36H64O4/c1-3-5-7-17-23-31-29-30-32(24-18-13-12-16-22-28-36(39)40)34(33(31)25-19-8-6-4-2)26-20-14-10-9-11-15-21-27-35(37)38/h20,26,29-34H,3-19,21-25,27-28H2,1-2H3,(H,37,38)(H,39,40)",C36H64O4,,,,,,CIRMGZKUSBCWRL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.201,256-340-7,47897-90-5,[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methyl-4-sulphophenyl)azo]-7-sulpho-2-naphthyl]amino]carbonyl]amino]-3-sulpho-2-naphthyl]azo]benzoic acid,2-({1-hydroxy-6-[({5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-sulfo-2-naphthyl}diazenyl)benzoic acid,OS(=O)(=O)c6ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccccc4C(O)=O)c5O)S(O)(=O)=O)S(O)(=O)=O)c(C)c6,OS(=O)(=O)c6ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccccc4C(O)=O)c5O)S(O)(=O)=O)S(O)(=O)=O)c(C)c6,"InChI=1/C35H26N6O14S3/c1-17-12-22(56(47,48)49)8-11-26(17)38-40-30-28(57(50,51)52)15-18-13-20(6-9-23(18)32(30)42)36-35(46)37-21-7-10-24-19(14-21)16-29(58(53,54)55)31(33(24)43)41-39-27-5-3-2-4-25(27)34(44)45/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)",C35H26N6O14S3,,,,,,UXWUSTFFYUGNTP-UHFFFAOYSA-N,,,,,,,,,,,
100.048.145,252-975-9,36323-28-1,"1,3-bis(dibromomethyl)benzene","1,3-bis(dibromomethyl)benzene",BrC(Br)c1cccc(c1)C(Br)Br,BrC(Br)c1cccc(c1)C(Br)Br,"InChI=1/C8H6Br4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7-8H",C8H6Br4,,,,,,ZMCUKNMLHBAGMS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.146,252-976-4,36325-69-6,N-[2-(2-hydroxyphenyl)-2H-benzotriazol-5-yl]methacrylamide,N-[2-(2-hydroxyphenyl)-2H-benzotriazol-5-yl]-2-methylacrylamide,CC(=C)C(=O)Nc1ccc2nn(nc2c1)c3ccccc3O,CC(=C)C(=O)Nc1ccc2nn(nc2c1)c3ccccc3O,"InChI=1/C16H14N4O2/c1-10(2)16(22)17-11-7-8-12-13(9-11)19-20(18-12)14-5-3-4-6-15(14)21/h3-9,21H,1H2,2H3,(H,17,22)",C16H14N4O2,,,,,,NMOXHAYRTDPINE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.147,252-978-5,36327-34-1,"2,4,6-tribromostyrene","1,3,5-tribromo-2-vinylbenzene",Brc1cc(Br)c(C=C)c(Br)c1,Brc1cc(Br)c(C=C)c(Br)c1,"InChI=1/C8H5Br3/c1-2-6-7(10)3-5(9)4-8(6)11/h2-4H,1H2",C8H5Br3,,,,,,ICKFOGODAXJVSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.151,252-982-7,36339-04-5,2-methoxyethyl N-[5-(acetylamino)-2-methoxyphenyl]-ß-alaninate,2-methoxyethyl N-(5-acetamido-2-methoxyphenyl)-beta-alaninate,COCCOC(=O)CCNc1cc(NC(=O)C)ccc1OC,COCCOC(=O)CCNc1cc(NC(=O)C)ccc1OC,"InChI=1/C15H22N2O5/c1-11(18)17-12-4-5-14(21-3)13(10-12)16-7-6-15(19)22-9-8-20-2/h4-5,10,16H,6-9H2,1-3H3,(H,17,18)",C15H22N2O5,,,,,,JCXUJLWOJLTKRV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.163,252-995-8,36357-38-7,1-(6-methylpyridin-3-yl)ethan-1-one,1-(6-methylpyridin-3-yl)ethanone,CC(=O)c1ccc(C)nc1,CC(=O)c1ccc(C)nc1,"InChI=1/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3",C8H9NO,,,,,,PVRYOKQFLBSILA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.166,252-998-4,36362-00-2,"Hydroxybis(octadec-9-enoato-O)aluminium, stereoisomer",aluminum hydroxide dioctadec-9-enoate,CCCCCCCCC=CCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/2C18H34O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);;1H2/q;;+3;/p-3/rC36H67AlO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(38)41-37(40)42-36(39)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-34H2,1-2H3",C36H67AlO5,,,,,,ZNWYZTDBBODFKE-UHFFFAOYSA-K,,,,,,,,,,,
100.048.168,253-002-0,36366-93-5,2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethanol,2-{2-[2-(2-phenoxyethoxy)ethoxy]ethoxy}ethanol,OCCOCCOCCOCCOc1ccccc1,OCCOCCOCCOCCOc1ccccc1,"InChI=1/C14H22O5/c15-6-7-16-8-9-17-10-11-18-12-13-19-14-4-2-1-3-5-14/h1-5,15H,6-13H2",C14H22O5,,,,,,RGRVGOMPHMWMJX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.360,251-013-5,32360-05-7,Octadecyl methacrylate,octadecyl methacrylate,CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h2,4-20H2,1,3H3",C22H42O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14727,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.360,HMZGPNHSPWNGEP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.365,251-018-2,32385-11-8,Sisomicin,"4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside",CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](OC3OC(=CCC3N)CN)[C@@H]2O)OC[C@]1(C)O,CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](OC3OC(=CCC3N)CN)[C@@H]2O)OC[C@]1(C)O,"InChI=1/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3",C19H37N5O7,,,,,,URWAJWIAIPFPJE-URXFYSGNSA-N,,,,,,,,,,,
100.046.370,251-024-5,32391-13-2,Zinc tetraisopropyl bis(dithiophosphate),"zinc bis(O,O-diisopropyl dithiophosphate)",CC(C)OP(=S)(OC(C)C)S[Zn]SP(=S)(OC(C)C)OC(C)C,CC(C)OP(=S)(OC(C)C)S[Zn]SP(=S)(OC(C)C)OC(C)C,"InChI=1/2C6H15O2PS2.Zn/c2*1-5(2)7-9(10,11)8-6(3)4;/h2*5-6H,1-4H3,(H,10,11);/q;;+2/p-2/rC12H28O4P2S4Zn/c1-9(2)13-17(19,14-10(3)4)21-23-22-18(20,15-11(5)6)16-12(7)8/h9-12H,1-8H3",C6H15O2PS2.1/2Zn,,,,,,CVDZJQFKUVADND-UHFFFAOYSA-L,,,,,,,,,,,
100.046.371,251-025-0,32407-67-3,"Ethyl 3,4-dimethoxymandelate","ethyl (3,4-dimethoxyphenyl)(hydroxy)acetate",CCOC(=O)C(O)c1ccc(OC)c(OC)c1,CCOC(=O)C(O)c1ccc(OC)c(OC)c1,"InChI=1/C12H16O5/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3/h5-7,11,13H,4H2,1-3H3",C12H16O5,,,,,,TXKORQPSJUQGFY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.626,251-304-7,32953-65-4,Octyl oleate,octyl octadec-9-enoate,CCCCCCCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C26H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h14-15H,3-13,16-25H2,1-2H3",C26H50O2,,,,,,QTDSLDJPJJBBLE-PFONDFGASA-N,,,,,,,,,,,
100.046.627,251-305-2,32953-89-2,Rimiterol,"4-[hydroxy(piperidin-2-yl)methyl]benzene-1,2-diol",O[C@H]([C@H]1CCCCN1)c2ccc(O)c(O)c2,O[C@H]([C@H]1CCCCN1)c2ccc(O)c(O)c2,"InChI=1/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2",C12H17NO3,,,,,,IYMMESGOJVNCKV-SKDRFNHKSA-N,,,,,,,,,,,
100.046.629,251-307-3,32957-26-9,"N-amino-1,3-oxazolidin-2-one sulphate","3-amino-1,3-oxazolidin-2-one sulfate",NN1CCOC1=O.OS(=O)(=O)O,NN1CCOC1=O.OS(=O)(=O)O,"InChI=1/C3H6N2O2.H2O4S/c4-5-1-2-7-3(5)6;1-5(2,3)4/h1-2,4H2;(H2,1,2,3,4)",C3H6N2O2.H2O4S,,,,,,JTLQVYLNRFYQAV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.633,251-312-0,32962-46-2,5-phenyl-2-(prop-2-ynylamino)-4-oxazolone,"5-phenyl-2-(prop-2-yn-1-ylamino)-1,3-oxazol-4(5H)-one",O=C1N=C(NCC#C)OC1c2ccccc2,O=C1N=C(NCC#C)OC1c2ccccc2,"InChI=1/C12H10N2O2/c1-2-8-13-12-14-11(15)10(16-12)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,13,14,15)",C12H10N2O2,,,,,,WWTYGEPOGPVBJS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.637,251-316-2,32974-92-8,1-(3-ethylpyrazinyl)ethan-1-one,1-(3-ethylpyrazin-2-yl)ethanone,CCc1nccnc1C(=O)C,CCc1nccnc1C(=O)C,"InChI=1/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3",C8H10N2O,,,,,,PPJSYGVFDJEMRP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.639,251-318-3,32980-71-5,"Tetrachloropyrimido[5,4-d]pyrimidine","2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine",Clc1nc(Cl)c2nc(Cl)nc(Cl)c2n1,Clc1nc(Cl)c2nc(Cl)nc(Cl)c2n1,InChI=1/C6Cl4N4/c7-3-1-2(12-6(10)13-3)4(8)14-5(9)11-1,C6Cl4N4,,,,,,QNKFHUMDHRWWES-UHFFFAOYSA-N,,,,,,,,,,,
100.046.642,251-322-5,32986-56-4,Tobramycin,"4,6-diamino-3-[(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",C18H37N5O9,,,,,,NLVFBUXFDBBNBW-PBSUHMDJSA-N,Positive,mzcloud:2441,[M+H]+,HCD_Averaged,324.1765:205.1183:187.1077:163.10771:145.09714:127.08659:98.0600,HighChem,,,,,
100.070.400,277-463-2,73410-11-4,N-butyl-2-isopropyl-5-methylcyclohexanecarboxamide,N-butyl-2-isopropyl-5-methylcyclohexanecarboxamide,CCCCNC(=O)C1CC(C)CCC1C(C)C,CCCCNC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C15H29NO/c1-5-6-9-16-15(17)14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)",C15H29NO,,,,,,HNQBHFPOOAHYGE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.936,259-349-4,54789-92-3,"[R-(R*,R*)]-tartarohydrazide","2,3-dihydroxysuccinohydrazide",NNC(=O)C(O)C(O)C(=O)NN,NNC(=O)C(O)C(O)C(=O)NN,"InChI=1/C4H10N4O4/c5-7-3(11)1(9)2(10)4(12)8-6/h1-2,9-10H,5-6H2,(H,7,11)(H,8,12)",C4H10N4O4,,,,,,MDJZGXRFYKPSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.938,259-352-0,54792-07-3,"3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, compound with 2,2'-iminobis[ethanol] (1:1)","3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide - 2,2'-iminodiethanol (1:1)",CC(C)N1C(=O)c2ccccc2NS1(=O)=O.OCCNCCO,CC(C)N1C(=O)c2ccccc2NS1(=O)=O.OCCNCCO,"InChI=1/C10H12N2O3S.C4H11NO2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;6-3-1-5-2-4-7/h3-7,11H,1-2H3;5-7H,1-4H2",C10H12N2O3S.C4H11NO2,,,,,,SGWVSNSDWZUWNB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.943,259-357-8,54812-56-5,(3-chloro-4-methylphenyl)hydrazine monohydrochloride,(3-chloro-4-methylphenyl)hydrazine hydrochloride,Cl.Cc1ccc(NN)cc1Cl,Cl.Cc1ccc(NN)cc1Cl,"InChI=1/C7H9ClN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H",C7H9ClN2.ClH,,,,,,DQDFVQJOXLGGBL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.052,278-180-7,75299-82-0,"N-[4-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]-4-[(dimethylamino)sulphonyl]benzamide","N-[4-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4-(dimethylsulfamoyl)benzamide",CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24,CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C30H23N3O6S/c1-33(2)40(38,39)20-14-12-19(13-15-20)30(37)32-24-17-16-23(31-29(36)18-8-4-3-5-9-18)25-26(24)28(35)22-11-7-6-10-21(22)27(25)34/h3-17H,1-2H3,(H,31,36)(H,32,37)",C30H23N3O6S,,,,,,YUITVXXZMQHAMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.068,278-198-5,75396-06-4,"(Z,Z)-N,N''-naphthalene-1,5-diylbis[N'-octadec-9-enylurea]","N',N'''-naphthalene-1,5-diylbis(1-octadec-9-en-1-ylurea)",CCCCCCCC\\C=C/CCCCCCCCNC(=O)Nc1cccc2c(NC(=O)NCCCCCCCC\\C=C/CCCCCCCC)cccc12,CCCCCCCC\C=C/CCCCCCCCNC(=O)Nc1cccc2c(NC(=O)NCCCCCCCC\C=C/CCCCCCCC)cccc12,"InChI=1/C48H80N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-49-47(53)51-45-39-35-38-44-43(45)37-36-40-46(44)52-48(54)50-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-40H,3-16,21-34,41-42H2,1-2H3,(H2,49,51,53)(H2,50,52,54)",C48H80N4O2,,,,,,QIBPXNIRKXULAH-CLFAGFIQSA-N,,,,,,,,,,,
100.071.070,278-200-4,75413-96-6,8-(tert-butyl)quinoline,8-tert-butylquinoline,CC(C)(C)c1cccc2cccnc12,CC(C)(C)c1cccc2cccnc12,"InChI=1/C13H15N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4-9H,1-3H3",C13H15N,,,,,,OQKVXNPHJMUXOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.072,278-203-0,75413-99-9,"8-(tert-butyl)-1,2,3,4-tetrahydroquinoline","8-tert-butyl-1,2,3,4-tetrahydroquinoline",CC(C)(C)c1cccc2CCCNc12,CC(C)(C)c1cccc2CCCNc12,"InChI=1/C13H19N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4,6,8,14H,5,7,9H2,1-3H3",C13H19N,,,,,,FTAFKJQTGWHYTC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.429,251-088-4,32536-60-0,Sodium hydrogen sulphonatooleate,sodium hydrogen 2-sulfonatooctadec-9-enoate,[Na+].CCCCCCCC\\C=C/CCCCCCC(C(=O)[O-])S(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H34O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20)24(21,22)23;/h9-10,17H,2-8,11-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-2",C18H34O5S.Na,,,,,,BKHIPXYILWCYCA-KVVVOXFISA-L,,,,,,,,,,,
100.046.431,251-091-0,32540-05-9,"Octahydro-2,5,5-trimethyl-2H-2,4a-ethanonaphth-8-ol","2,5,5-trimethyloctahydro-2H-2,4a-ethanonaphthalen-8-ol",CC12CCC3(CC1)C(C2)C(O)CCC3(C)C,CC12CCC3(CC1)C(C2)C(O)CCC3(C)C,"InChI=1/C15H26O/c1-13(2)5-4-12(16)11-10-14(3)6-8-15(11,13)9-7-14/h11-12,16H,4-10H2,1-3H3",C15H26O,,,,,,FQLAHWUZDPIYLB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.434,251-094-7,32545-75-8,(morpholin-4-ylmethylene)bisphosphonic acid,(morpholin-4-ylmethylene)bis(phosphonic acid),OP(=O)(O)C(N1CCOCC1)P(=O)(O)O,OP(=O)(O)C(N1CCOCC1)P(=O)(O)O,"InChI=1/C5H13NO7P2/c7-14(8,9)5(15(10,11)12)6-1-3-13-4-2-6/h5H,1-4H2,(H2,7,8,9)(H2,10,11,12)",C5H13NO7P2,,,,,,KVUUQMDVROTSNI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.438,251-098-9,32564-31-1,2-methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one,5-isopropenyl-2-methyl-3-(methylsulfanyl)cyclohexanone,CSC1CC(CC(=O)C1C)C(=C)C,CSC1CC(CC(=O)C1C)C(=C)C,"InChI=1/C11H18OS/c1-7(2)9-5-10(12)8(3)11(6-9)13-4/h8-9,11H,1,5-6H2,2-4H3",C11H18OS,,,,,,BVACDZLXQCWKAF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.439,251-099-4,32568-89-1,"5,5-dimethyl-3-[2-(oxiranylmethoxy)propyl]-1-(oxiranylmethyl)imidazolidine-2,4-dione","5,5-dimethyl-3-[2-(oxiran-2-ylmethoxy)propyl]-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione",CC(CN1C(=O)N(CC2CO2)C(C)(C)C1=O)OCC3CO3,CC(CN1C(=O)N(CC2CO2)C(C)(C)C1=O)OCC3CO3,"InChI=1/C14H22N2O5/c1-9(19-7-11-8-21-11)4-15-12(17)14(2,3)16(13(15)18)5-10-6-20-10/h9-11H,4-8H2,1-3H3",C14H22N2O5,,,,,,OQAPYXJOOYQXDV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.446,251-107-6,32580-26-0,N-(2-benzoyl-4-chlorophenyl)-2-bromoacetamide,N-(2-benzoyl-4-chlorophenyl)-2-bromoacetamide,Clc1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2,Clc1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2,"InChI=1/C15H11BrClNO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",C15H11BrClNO2,,,,,,VYYHFSBVBDFTML-UHFFFAOYSA-N,,,,,,,,,,,
100.046.448,251-109-7,32580-72-6,"Ethyl 3-[2,4-bis(1-methylethyl)phenyl]acrylate","ethyl 3-(2,4-diisopropylphenyl)acrylate",CCOC(=O)\\C=C\\c1ccc(cc1C(C)C)C(C)C,CCOC(=O)\C=C\c1ccc(cc1C(C)C)C(C)C,"InChI=1/C17H24O2/c1-6-19-17(18)10-9-14-7-8-15(12(2)3)11-16(14)13(4)5/h7-13H,6H2,1-5H3",C17H24O2,,,,,,XRLCQRMNGQRGOC-MDZDMXLPSA-N,,,,,,,,,,,
100.046.450,251-111-8,32582-63-1,2-(octylamino)ethanol,2-(octylamino)ethanol,CCCCCCCCNCCO,CCCCCCCCNCCO,"InChI=1/C10H23NO/c1-2-3-4-5-6-7-8-11-9-10-12/h11-12H,2-10H2,1H3",C10H23NO,,,,,,UVYBWDBLVDZIOX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.451,251-112-3,32582-78-8,"Disodium hydrogen 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-anilino-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate","disodium hydrogen 5-[(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-2-sulfonatophenyl}amino)-6-anilino-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]-2-hydroxybenzoate",[H+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc8nc(Nc3ccccc3)nc(Nc7ccc(Nc6cc(c(N)c5C(=O)c4ccccc4C(=O)c56)S([O-])(=O)=O)cc7S([O-])(=O)=O)n8,[H+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc8nc(Nc3ccccc3)nc(Nc7ccc(Nc6cc(c(N)c5C(=O)c4ccccc4C(=O)c56)S([O-])(=O)=O)cc7S([O-])(=O)=O)n8,"InChI=1/C42H30N10O11S2.2Na.H2/c43-36-33(65(61,62)63)20-30(34-35(36)38(55)27-9-5-4-8-26(27)37(34)54)44-24-14-16-29(32(19-24)64(58,59)60)47-42-49-40(45-21-6-2-1-3-7-21)48-41(50-42)46-22-10-12-23(13-11-22)51-52-25-15-17-31(53)28(18-25)39(56)57;;;/h1-20,44,53H,43H2,(H,56,57)(H,58,59,60)(H,61,62,63)(H3,45,46,47,48,49,50);;;1H/q;3*+1/p-3",C42H30N10O11S2.2Na,,,,,,DSLMAOFDWWGUEI-UHFFFAOYSA-L,,,,,,,,,,,
100.072.666,279-956-8,82457-14-5,"3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo-1H-isoindol-1-one]","3,3'-[(2-methyl-1,3-phenylene)diimino]bis(4,5,6,7-tetrabromo-1H-isoindol-1-one)",Cc1c(NC2=NC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)cccc1NC4=NC(=O)c5c(Br)c(Br)c(Br)c(Br)c45,Cc1c(NC2=NC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)cccc1NC4=NC(=O)c5c(Br)c(Br)c(Br)c(Br)c45,"InChI=1/C23H8Br8N4O2/c1-5-6(32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24)3-2-4-7(5)33-21-9-11(23(37)35-21)15(27)19(31)17(29)13(9)25/h2-4H,1H3,(H,32,34,36)(H,33,35,37)",C23H8Br8N4O2,,,,,,XYXBFIIHDWBWHV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.669,279-959-4,82457-17-8,"1,8-dihydroxy-4-[[2-(2-hydroxyethyl)phenyl]amino]-5-nitroanthraquinone","1,8-dihydroxy-4-{[2-(2-hydroxyethyl)phenyl]amino}-5-nitro-9,10-anthraquinone",OCCc1ccccc1Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-],OCCc1ccccc1Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-],"InChI=1/C22H16N2O7/c25-10-9-11-3-1-2-4-12(11)23-13-5-7-15(26)19-17(13)21(28)18-14(24(30)31)6-8-16(27)20(18)22(19)29/h1-8,23,25-27H,9-10H2",C22H16N2O7,,,,,,CFPXMCKUVHXIKD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.670,279-961-5,82457-18-9,"3-[ethyl[4-[(2,4,6-tribromophenyl)azo]phenyl]amino]propiononitrile","3-(ethyl{4-[(2,4,6-tribromophenyl)diazenyl]phenyl}amino)propanenitrile",Brc2cc(Br)cc(Br)c2N=Nc1ccc(cc1)N(CC)CCC#N,Brc2cc(Br)cc(Br)c2N=Nc1ccc(cc1)N(CC)CCC#N,"InChI=1/C17H15Br3N4/c1-2-24(9-3-8-21)14-6-4-13(5-7-14)22-23-17-15(19)10-12(18)11-16(17)20/h4-7,10-11H,2-3,9H2,1H3",C17H15Br3N4,,,,,,WYMYABONIVDQQB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.674,279-965-7,82457-22-5,"Isobutyl 5-[5-acetamido-2-methoxy-4-[(5-nitrothiazol-2-yl)azo]phenyl]-12-methyl-9-oxo-2,8,10-trioxa-5-azatridecanoate","({5-acetamido-2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}imino)diethane-2,1-diyl diisobutyl biscarbonate",CC(C)COC(=O)OCCN(CCOC(=O)OCC(C)C)c2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2OC,CC(C)COC(=O)OCCN(CCOC(=O)OCC(C)C)c2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2OC,"InChI=1/C26H36N6O10S/c1-16(2)14-41-25(34)39-9-7-31(8-10-40-26(35)42-15-17(3)4)21-11-19(28-18(5)33)20(12-22(21)38-6)29-30-24-27-13-23(43-24)32(36)37/h11-13,16-17H,7-10,14-15H2,1-6H3,(H,28,33)",C26H36N6O10S,,,,,,CTHVBSUTXMSEDM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.681,279-973-0,82469-77-0,Sodium 6-hydroxy-5-[[4-(phenylamino)phenyl]azo]naphthalene-2-sulphonate,sodium 5-[(4-anilinophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c3cc4ccc(O)c(N=Nc2ccc(Nc1ccccc1)cc2)c4cc3,[Na+].[O-]S(=O)(=O)c3cc4ccc(O)c(N=Nc2ccc(Nc1ccccc1)cc2)c4cc3,"InChI=1/C22H17N3O4S.Na/c26-21-13-6-15-14-19(30(27,28)29)11-12-20(15)22(21)25-24-18-9-7-17(8-10-18)23-16-4-2-1-3-5-16;/h1-14,23,26H,(H,27,28,29);/q;+1/p-1",C22H17N3O4S.Na,,,,,,JWDMOALIWGTUIL-UHFFFAOYSA-M,,,,,,,,,,,
100.072.691,279-984-0,82508-83-6,Disodium 1-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate,"disodium 1-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-4-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)-1,2-dihydronaphthalene-1-sulfonate",[Na+].[Na+].[O-][N+](=O)c6ccc(Nc1ccc(cc1)N=N\\C5=C\\CC(N=Nc3ccc(OS(=O)(=O)c2ccc(C)cc2)cc3)(c4ccccc45)S([O-])(=O)=O)c(c6)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c6ccc(Nc1ccc(cc1)N=N\C5=C\CC(N=Nc3ccc(OS(=O)(=O)c2ccc(C)cc2)cc3)(c4ccccc45)S([O-])(=O)=O)c(c6)S([O-])(=O)=O,"InChI=1/C35H28N6O11S3.2Na/c1-23-6-17-29(18-7-23)54(47,48)52-28-15-12-26(13-16-28)38-40-35(55(49,50)51)21-20-32(30-4-2-3-5-31(30)35)39-37-25-10-8-24(9-11-25)36-33-19-14-27(41(42)43)22-34(33)53(44,45)46;;/h2-20,22,36H,21H2,1H3,(H,44,45,46)(H,49,50,51);;/q;2*+1/p-2",C35H26N6O11S3.2Na,,,,,,KVOLHNFLLSXCOV-UHFFFAOYSA-L,,,,,,,,,,,
100.046.348,250-999-4,32345-29-2,"O,O-diethyl O-phenyl thiophosphate","O,O-diethyl O-phenyl thiophosphate",CCOP(=S)(OCC)Oc1ccccc1,CCOP(=S)(OCC)Oc1ccccc1,"InChI=1/C10H15O3PS/c1-3-11-14(15,12-4-2)13-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",C10H15O3PS,,,,,,XXWNKVBJDWSYBN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.362,251-015-6,32362-64-4,"2-isopropyl-2,5,5-trimethyl-1,3-dioxane","2-isopropyl-2,5,5-trimethyl-1,3-dioxane",CC(C)C1(C)OCC(C)(C)CO1,CC(C)C1(C)OCC(C)(C)CO1,"InChI=1/C10H20O2/c1-8(2)10(5)11-6-9(3,4)7-12-10/h8H,6-7H2,1-5H3",C10H20O2,,,,,,IXOFPNRLOQANTH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.363,251-016-1,32362-97-3,2-pentylcyclohexan-1-one,2-pentylcyclohexanone,CCCCCC1CCCCC1=O,CCCCCC1CCCCC1=O,"InChI=1/C11H20O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2-9H2,1H3",C11H20O,,,,,,UXJMXERXJQAWSP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.366,251-019-8,32387-83-0,"6-methoxy-2,3-dimethylquinoxalin-5-amine","6-methoxy-2,3-dimethylquinoxalin-5-amine",COc1ccc2nc(C)c(C)nc2c1N,COc1ccc2nc(C)c(C)nc2c1N,"InChI=1/C11H13N3O/c1-6-7(2)14-11-8(13-6)4-5-9(15-3)10(11)12/h4-5H,12H2,1-3H3",C11H13N3O,,,,,,SDEJCUPNRCXJQN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.372,251-026-6,32407-99-1,Phenylmercury dimethyldithiocarbamate,phenylmercury(1+) dimethyldithiocarbamate,CN(C)C(=S)[S-].[Hg+]c1ccccc1,CN(C)C(=S)[S-].[Hg+]c1ccccc1,"InChI=1/C6H5.C3H7NS2.Hg/c1-2-4-6-5-3-1;1-4(2)3(5)6;/h1-5H;1-2H3,(H,5,6);/q;;+1/p-1/rC6H5Hg.C3H7NS2/c7-6-4-2-1-3-5-6;1-4(2)3(5)6/h1-5H;1-2H3,(H,5,6)/q+1;/p-1",C9H11HgNS2,,,,,,FDIYOTSIIQEQSA-UHFFFAOYSA-M,,,,,,,,,,,
100.046.374,251-028-7,32421-74-2,"(2,5-dihydroxy-3,6-dimethyl-1,4,2,5-dioxadiphosphorinane-3,6-diyl)bisphosphonic acid P,P'-dioxide","(2,5-dihydroxy-3,6-dimethyl-2,5-dioxido-1,4,2,5-dioxadiphosphinane-3,6-diyl)bis(phosphonic acid)",CC1(OP(=O)(O)C(C)(OP1(=O)O)P(=O)(O)O)P(=O)(O)O,CC1(OP(=O)(O)C(C)(OP1(=O)O)P(=O)(O)O)P(=O)(O)O,"InChI=1/C4H12O12P4/c1-3(17(5,6)7)15-20(13,14)4(2,18(8,9)10)16-19(3,11)12/h1-2H3,(H,11,12)(H,13,14)(H2,5,6,7)(H2,8,9,10)",C4H12O12P4,,,,,,HAHPKRLEQYOYCU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.635,251-314-1,32972-24-0,4-(1-oxoundecyl)morpholine,4-undecanoylmorpholine,CCCCCCCCCCC(=O)N1CCOCC1,CCCCCCCCCCC(=O)N1CCOCC1,"InChI=1/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-15(17)16-11-13-18-14-12-16/h2-14H2,1H3",C15H29NO2,,,,,,DIVMORBOGQJESX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.855,252-656-4,35657-77-3,"[[(phosphonomethyl)imino]bis[hexane-6,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid, sodium salt",pentasodium hydrogen {[bis(6-{bis[(hydroxyphosphinato)methyl]amino}hexyl)amino]methyl}phosphonate,OP(=O)(CN(CCCCCCN(CP(=O)(O)O[Na])CP(=O)(O)O[Na])CCCCCCN(CP(=O)(O)O[Na])CP(=O)(O)O[Na])O[Na],OP(=O)(CN(CCCCCCN(CP(=O)(O)O[Na])CP(=O)(O)O[Na])CCCCCCN(CP(=O)(O)O[Na])CP(=O)(O)O[Na])O[Na],"InChI=1/C17H44N3O15P5.5Na/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35;;;;;/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35);;;;;/q;5*+1/p-5/rC17H39N3Na5O15P5/c21-36-41(26,27)13-18(9-5-1-3-7-11-19(14-42(28,29)37-22)15-43(30,31)38-23)10-6-2-4-8-12-20(16-44(32,33)39-24)17-45(34,35)40-25/h1-17H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)",C17H44N3O15P5.xNa,,,,,,DEOACVXVIMRFNH-UHFFFAOYSA-I,,,,,,,,,,,
100.047.859,252-661-1,35661-40-6,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-phenyl-L-alanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine,OC(=O)[C@H](Cc1ccccc1)NC(=O)OCC2c3ccccc3c4ccccc24,OC(=O)[C@H](Cc1ccccc1)NC(=O)OCC2c3ccccc3c4ccccc24,"InChI=1/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)",C24H21NO4,,,,,,SJVFAHZPLIXNDH-QFIPXVFZSA-N,,,,,,,,,,,
100.047.868,252-671-6,35675-66-2,"4-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one","4-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one",Cc1cc(ccc1O)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3,Cc1cc(ccc1O)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3,"InChI=1/C20H16O3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,21,23H,1H3",C20H16O3,,,,,,TWNIXJJSBDRPSN-UHFFFAOYSA-N,,,,,,,,,,,
100.047.872,252-675-8,35680-24-1,2-chloro-6-methylpyridin-3-ol,2-chloro-6-methylpyridin-3-ol,Cc1ccc(O)c(Cl)n1,Cc1ccc(O)c(Cl)n1,"InChI=1/C6H6ClNO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3",C6H6ClNO,,,,,,LCVJZBIGDFXRLU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.873,252-676-3,35688-04-1,[2-(methacryloyloxy)ethyl]dimethylammonium nitrate,"2-(methacryloyloxy)-N,N-dimethylethanaminium nitrate",C[NH+](C)CCOC(=O)C(=C)C.[O-][N+](=O)[O-],C[NH+](C)CCOC(=O)C(=C)C.[O-][N+](=O)[O-],"InChI=1/C8H15NO2.NO3/c1-7(2)8(10)11-6-5-9(3)4;2-1(3)4/h1,5-6H2,2-4H3;/q;-1/p+1",C8H15NO2.HNO3,,,,,,TXMOMUDMZGPZPS-UHFFFAOYSA-O,,,,,,,,,,,
100.049.379,254-337-5,39186-58-8,"4-bromo-2,2-diphenylbutanenitrile","4-bromo-2,2-diphenylbutanenitrile",BrCCC(C#N)(c1ccccc1)c2ccccc2,BrCCC(C#N)(c1ccccc1)c2ccccc2,"InChI=1/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2",C16H14BrN,,,,,,IGYSFJHVFHNOEI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.383,254-341-7,39190-09-5,"3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole","3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)isoxazole",CC1=CCCC(C)(C)C1c2onc(C)c2,CC1=CCCC(C)(C)C1c2onc(C)c2,"InChI=1/C13H19NO/c1-9-6-5-7-13(3,4)12(9)11-8-10(2)14-15-11/h6,8,12H,5,7H2,1-4H3",C13H19NO,,,,,,UEBXVANRKDLJNF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.384,254-342-2,39190-88-0,N-isobutyl-sec-butylamine,N-isobutylbutan-2-amine,CCC(C)NCC(C)C,CCC(C)NCC(C)C,"InChI=1/C8H19N/c1-5-8(4)9-6-7(2)3/h7-9H,5-6H2,1-4H3",C8H19N,,,,,,DVFVBAPHBZWJFX-UHFFFAOYSA-N,,,,,,,,,,,
100.051.538,256-711-3,50679-12-4,"N,N,N'-trimethyl-N'-[2-(4-methyl-1-piperazinyl)ethyl]ethylenediamine","N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine",CN(C)CCN(C)CCN1CCN(C)CC1,CN(C)CCN(C)CCN1CCN(C)CC1,"InChI=1/C12H28N4/c1-13(2)5-6-14(3)7-10-16-11-8-15(4)9-12-16/h5-12H2,1-4H3",C12H28N4,,,,,,UWSIMPSCFKSEFA-UHFFFAOYSA-N,,,,,,,,,,,
100.051.551,256-726-5,50703-06-5,Methyl thiazolidine-4-carboxylate hydrochloride,"methyl 1,3-thiazolidine-4-carboxylate hydrochloride",Cl.COC(=O)C1CSCN1,Cl.COC(=O)C1CSCN1,"InChI=1/C5H9NO2S.ClH/c1-8-5(7)4-2-9-3-6-4;/h4,6H,2-3H2,1H3;1H",C5H9NO2S.ClH,,,,,,YEFOSJYXVLNYSL-UHFFFAOYSA-N,,,,,,,,,,,
100.051.558,256-733-3,50714-97-1,"2-[3-(2,5-dihydroxyphenyl)-1-oxopropyl]cyclopentan-1-one","2-[3-(2,5-dihydroxyphenyl)propanoyl]cyclopentanone",Oc1ccc(O)c(CCC(=O)C2CCCC2=O)c1,Oc1ccc(O)c(CCC(=O)C2CCCC2=O)c1,"InChI=1/C14H16O4/c15-10-5-7-12(16)9(8-10)4-6-14(18)11-2-1-3-13(11)17/h5,7-8,11,15-16H,1-4,6H2",C14H16O4,,,,,,GUWNWVMZYFPNSS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.562,256-738-0,50727-77-0,Tridecyl 3-mercaptopropionate,tridecyl 3-sulfanylpropanoate,CCCCCCCCCCCCCOC(=O)CCS,CCCCCCCCCCCCCOC(=O)CCS,"InChI=1/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-16(17)13-15-19/h19H,2-15H2,1H3",C16H32O2S,,,,,,MJNLAPRQQJZBQN-UHFFFAOYSA-N,,,,,,,,,,,
100.051.572,256-749-0,50744-87-1,(2-hydroxytrimethylene)bis[dodecyldimethylammonium] dichloride,"N,N'-didodecyl-2-hydroxy-N,N,N',N'-tetramethylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCCCCCCCCCC,[Cl-].[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCCCCCCCCCC,"InChI=1/C31H68N2O.2ClH/c1-7-9-11-13-15-17-19-21-23-25-27-32(3,4)29-31(34)30-33(5,6)28-26-24-22-20-18-16-14-12-10-8-2;;/h31,34H,7-30H2,1-6H3;2*1H/q+2;;/p-2",C31H68N2O.2Cl,,,,,,QBJONSOVMCQLOK-UHFFFAOYSA-L,,,,,,,,,,,
100.051.574,256-751-1,50767-78-7,"(E)-dodeca-9,11-dienyl acetate","dodeca-9,11-dien-1-yl acetate",CC(=O)OCCCCCCCC\\C=C\\C=C,CC(=O)OCCCCCCCC\C=C\C=C,"InChI=1/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-5H,1,6-13H2,2H3",C14H24O2,,,,,,ARPQLVHCERGNAB-SNAWJCMRSA-N,,,,,,,,,,,
100.051.575,256-752-7,50767-79-8,"(E,Z)-tetradeca-9,11-dienyl acetate","tetradeca-9,11-dien-1-yl acetate",CC(=O)OCCCCCCCCC=CC=CCC,CC(=O)OCCCCCCCCC=CC=CCC,"InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3",C16H28O2,,,,,,RFEQLTBBKNKGGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.051.576,256-753-2,50770-19-9,p-propenylanisole,1-methoxy-4-prop-1-en-1-ylbenzene,COc1ccc(C=CC)cc1,COc1ccc(C=CC)cc1,"InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3",C10H12O,,,,,,RUVINXPYWBROJD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.944,259-358-3,54812-66-7,p-[[2-(diethylammonio)ethoxy]carbonyl]anilinium hydrogen phosphate,4-{[2-(diethylammonio)ethoxy]carbonyl}anilinium hydrogen phosphate,CC[NH+](CC)CCOC(=O)c1ccc([NH3+])cc1.[O-]P(=O)([O-])[O-],CC[NH+](CC)CCOC(=O)c1ccc([NH3+])cc1.[O-]P(=O)([O-])[O-],"InChI=1/C13H20N2O2.H3O4P/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-5(2,3)4/h5-8H,3-4,9-10,14H2,1-2H3;(H3,1,2,3,4)/p-1",C13H20N2O2.H3O4P,,,,,,NPBISBZNYVWJOL-UHFFFAOYSA-M,,,,,,,,,,,
100.053.947,259-362-5,54817-63-9,"2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid","2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1,4-disulfonic acid",CC1=NN(C(=O)C1)c2cc(ccc2S(=O)(=O)O)S(=O)(=O)O,CC1=NN(C(=O)C1)c2cc(ccc2S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H10N2O7S2/c1-6-4-10(13)12(11-6)8-5-7(20(14,15)16)2-3-9(8)21(17,18)19/h2-3,5H,4H2,1H3,(H,14,15,16)(H,17,18,19)",C10H10N2O7S2,,,,,,ZGXJVLAIEZQGHY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.963,259-379-8,54864-61-8,"3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyloxazolidine-2,4-dione","3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione",COCC1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,COCC1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,"InChI=1/C12H11Cl2NO4/c1-12(6-18-2)10(16)15(11(17)19-12)9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3",C12H11Cl2NO4,,,,,,FTCOKXNKPOUEFH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.967,259-384-5,54884-84-3,"Decane-5,6-diol","decane-5,6-diol",CCCCC(O)C(O)CCCC,CCCCC(O)C(O)CCCC,"InChI=1/C10H22O2/c1-3-5-7-9(11)10(12)8-6-4-2/h9-12H,3-8H2,1-2H3",C10H22O2,,,,,,FUGIIBWTNARRSF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.969,259-386-6,54894-37-0,[(2-phenylethoxy)methyl]benzene,[2-(benzyloxy)ethyl]benzene,C(Cc1ccccc1)OCc2ccccc2,C(Cc1ccccc1)OCc2ccccc2,"InChI=1/C15H16O/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10H,11-13H2",C15H16O,,,,,,MTWBNQBGOBEJKB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.973,259-390-8,54910-51-9,"(2S-cis)-7,8-epoxy-2-methyloctadecane",2-decyl-3-(5-methylhexyl)oxirane,CCCCCCCCCCC1O[C@@H]1CCCCC(C)C,CCCCCCCCCCC1O[C@@H]1CCCCC(C)C,"InChI=1/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3",C19H38O,,,,,,HFOFYNMWYRXIBP-MUMRKEEXSA-N,,,,,,,,,,,
100.072.697,279-990-3,82537-67-5,"8-acetyl-3-dodecyl-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","8-acetyl-3-dodecyl-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",CCCCCCCCCCCCN1C(=O)NC2(CC(C)(C)N(C(=O)C)C(C)(C)C2)C1=O,CCCCCCCCCCCCN1C(=O)NC2(CC(C)(C)N(C(=O)C)C(C)(C)C2)C1=O,"InChI=1/C25H45N3O3/c1-7-8-9-10-11-12-13-14-15-16-17-27-21(30)25(26-22(27)31)18-23(3,4)28(20(2)29)24(5,6)19-25/h7-19H2,1-6H3,(H,26,31)",C25H45N3O3,,,,,,RAZWNFJQEZAVOT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.701,279-995-0,82566-19-6,2-chloro-4-(1-phenylethyl)phenol,2-chloro-4-(1-phenylethyl)phenol,CC(c1ccccc1)c2ccc(O)c(Cl)c2,CC(c1ccccc1)c2ccc(O)c(Cl)c2,"InChI=1/C14H13ClO/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(15)9-12/h2-10,16H,1H3",C14H13ClO,,,,,,LMEXXUGPTZYJQU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.704,279-998-7,82572-37-0,"4-amino-5-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid","4-amino-5-hydroxy-3-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c3c(cc2S(O)(=O)=O)cc(cc3O)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c3c(cc2S(O)(=O)=O)cc(cc3O)S(O)(=O)=O,"InChI=1/C18H17N3O13S4/c19-17-16-10(7-13(9-14(16)22)36(25,26)27)8-15(37(28,29)30)18(17)21-20-11-1-3-12(4-2-11)35(23,24)6-5-34-38(31,32)33/h1-4,7-9,22H,5-6,19H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)",C18H17N3O13S4,,,,,,YOXGONFCUARMMN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.711,280-005-4,82608-79-5,"Bis[5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)","bis(5-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium) tetrachlorozincate(2-)",CN2/C=N\\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c1ccc(cc1)N=NC2[NH+](C)\\N=C/N2C,CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c1ccc(cc1)N=NC2[NH+](C)\N=C/N2C,"InChI=1/2C14H22N6.4ClH.Zn/c2*1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;;;;;/h2*7-11,14H,5-6H2,1-4H3;4*1H;/q;;;;;;+2/p-2/r2C14H22N6.Cl4Zn/c2*1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-5(2,3)4/h2*7-11,14H,5-6H2,1-4H3;/q;;-2/p+2",C14H21N6.1/2Cl4Zn,,,,,,XSUATIQGCPWMJI-UHFFFAOYSA-L,,,,,,,,,,,
100.072.715,280-010-1,82662-44-0,"9ß,11ß-epoxy-6a-fluoro-17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione","6-fluoro-17,21-dihydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H27FO5/c1-11-6-13-14-8-16(23)15-7-12(25)4-5-19(15,2)22(14)18(28-22)9-20(13,3)21(11,27)17(26)10-24/h4-5,7,11,13-14,16,18,24,27H,6,8-10H2,1-3H3",C22H27FO5,,,,,,NMNNKCZINHXRCS-MIKKIGMBSA-N,,,,,,,,,,,
100.072.719,280-014-3,82711-88-4,(2-hydroxyhexadecyl)trimethylammonium chloride,"2-hydroxy-N,N,N-trimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCC(O)C[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCC(O)C[N+](C)(C)C,"InChI=1/C19H42NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(2,3)4;/h19,21H,5-18H2,1-4H3;1H/q+1;/p-1",C19H42NO.Cl,,,,,,DZTAKTJYCGKPFN-UHFFFAOYSA-M,,,,,,,,,,,
100.046.452,251-113-9,32582-85-7,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]stearamide,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCN,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCN,"InChI=1/C24H52N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h26-27H,2-23,25H2,1H3,(H,28,29)",C24H52N4O,,,,,,CFAQSLLBQNAXNY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.456,251-118-6,32588-76-4,"N,N'-ethylenebis(3,4,5,6-tetrabromophthalimide)","2,2'-ethane-1,2-diylbis(4,5,6,7-tetrabromo-1H-isoindole-1,3(2H)-dione)",Brc1c(Br)c(Br)c2C(=O)N(CCN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)C(=O)c2c1Br,Brc1c(Br)c(Br)c2C(=O)N(CCN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)C(=O)c2c1Br,InChI=1/C18H4Br8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2,C18H4Br8N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12511,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.456,DYIZJUDNMOIZQO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.458,251-120-7,32595-09-8,"1,2-dibromo-1-chloropropane","1,2-dibromo-1-chloropropane",CC(Br)C(Cl)Br,CC(Br)C(Cl)Br,"InChI=1/C3H5Br2Cl/c1-2(4)3(5)6/h2-3H,1H3",C3H5Br2Cl,,,,,,XWACZKSYLJCQIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.460,251-122-8,32595-59-8,3-(2-thienyl)-L-serine,3-(2-thienyl)-L-serine,N[C@@H](C(O)c1cccs1)C(=O)O,N[C@@H](C(O)c1cccs1)C(=O)O,"InChI=1/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)",C7H9NO3S,,,,,,GNUCLSFLDHLOBV-ZBHICJROSA-N,,,,,,,,,,,
100.046.462,251-124-9,32597-38-9,"Antipyrine, 4-(2-norbornylamino)-","4-(bicyclo[2.2.1]hept-2-ylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CN1N(C(=O)C(=C1C)NC2CC3CCC2C3)c4ccccc4,CN1N(C(=O)C(=C1C)NC2CC3CCC2C3)c4ccccc4,"InChI=1/C18H23N3O/c1-12-17(19-16-11-13-8-9-14(16)10-13)18(22)21(20(12)2)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-11H2,1-2H3",C18H23N3O,,,,,,UQIQPBXSAGXWTO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.057,283-693-4,84696-86-6,"2-[3-[[(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)amino]carbonyl]phenyl]-N-(4-dodecylphenyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide","N-(4-dodecylphenyl)-1,3-dioxo-2-{3-[(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)carbamoyl]phenyl}isoindoline-5-carboxamide",CCCCCCCCCCCCc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c4cccc(c4)C(=O)NC5=NN(C(=O)C5)c6ccccc6)cc1,CCCCCCCCCCCCc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c4cccc(c4)C(=O)NC5=NN(C(=O)C5)c6ccccc6)cc1,"InChI=1/C43H45N5O5/c1-2-3-4-5-6-7-8-9-10-12-16-30-21-24-33(25-22-30)44-40(50)32-23-26-36-37(28-32)43(53)47(42(36)52)35-20-15-17-31(27-35)41(51)45-38-29-39(49)48(46-38)34-18-13-11-14-19-34/h11,13-15,17-28H,2-10,12,16,29H2,1H3,(H,44,50)(H,45,46,51)",C43H45N5O5,,,,,,XYMOENWBCCTIEO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.058,283-695-5,84696-87-7,3-[[[4-[[4-(acetylmethylamino)phenyl]azo]-1-hydroxy-2-naphthyl]carbonyl]amino]-4-(methyloctadecylamino)benzoic acid,3-{[1-hydroxy-4-({4-[(2-oxopropyl)amino]phenyl}diazenyl)-2-naphthoyl]amino}-4-[methyl(octadecyl)amino]benzoic acid,OC(=O)c4cc(NC(=O)c3cc(N=Nc1ccc(NCC(C)=O)cc1)c2ccccc2c3O)c(cc4)N(C)CCCCCCCCCCCCCCCCCC,OC(=O)c4cc(NC(=O)c3cc(N=Nc1ccc(NCC(C)=O)cc1)c2ccccc2c3O)c(cc4)N(C)CCCCCCCCCCCCCCCCCC,"InChI=1/C46H61N5O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-51(3)43-29-24-35(46(55)56)31-42(43)48-45(54)40-32-41(38-22-19-20-23-39(38)44(40)53)50-49-37-27-25-36(26-28-37)47-33-34(2)52/h19-20,22-29,31-32,47,53H,4-18,21,30,33H2,1-3H3,(H,48,54)(H,55,56)",C46H61N5O5,,,,,,XEVFABNMFLLLDA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.060,283-697-6,84696-89-9,"4-[[4-(benzoylbutylamino)phenyl]azo]-N-[5-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-chlorophenyl]-1-hydroxynaphthalene-2-carboxamide","4-({4-[benzoyl(butyl)amino]phenyl}diazenyl)-N-[5-({[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl}amino)-2-chlorophenyl]-1-hydroxy-2-naphthamide",Clc5ccc(cc5NC(=O)c4cc(N=Nc1ccc(cc1)N(CCCC)C(=O)c2ccccc2)c3ccccc3c4O)NC(=O)COc6ccc(cc6C(C)(C)CC)C(C)(C)CC,Clc5ccc(cc5NC(=O)c4cc(N=Nc1ccc(cc1)N(CCCC)C(=O)c2ccccc2)c3ccccc3c4O)NC(=O)COc6ccc(cc6C(C)(C)CC)C(C)(C)CC,"InChI=1/C52H56ClN5O5/c1-8-11-29-58(50(62)34-17-13-12-14-18-34)38-25-22-36(23-26-38)56-57-44-32-41(48(60)40-20-16-15-19-39(40)44)49(61)55-45-31-37(24-27-43(45)53)54-47(59)33-63-46-28-21-35(51(4,5)9-2)30-42(46)52(6,7)10-3/h12-28,30-32,60H,8-11,29,33H2,1-7H3,(H,54,59)(H,55,61)",C52H56ClN5O5,,,,,,FMSDZGFVUUORTH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.062,283-699-7,84696-91-3,Diethyl hydrogen [[2-sulpho-5-(trifluoromethyl)phenyl]azo]malonate,-,CCCC.[O-]C(=O)C(N=Nc1cc(ccc1S(O)(=O)=O)C(F)(F)F)C(O)=O,CCCC.[O-]C(=O)C(N=Nc1cc(ccc1S(O)(=O)=O)C(F)(F)F)C(O)=O,"InChI=1/C10H7F3N2O7S.C4H10/c11-10(12,13)4-1-2-6(23(20,21)22)5(3-4)14-15-7(8(16)17)9(18)19;1-3-4-2/h1-3,7H,(H,16,17)(H,18,19)(H,20,21,22);3-4H2,1-2H3/p-1",C14H15F3N2O7S,,,,,,HSOWKPKVUYQQJV-UHFFFAOYSA-M,,,,,,,,,,,
100.076.063,283-700-0,84696-92-4,"Tetrapotassium 5-amino-9,10-dihydro-9,10-dioxo-8-[[3-sulphonato-4-[(sulphonatoacetyl)amino]phenyl]amino]anthracene-1,7-disulphonate","tetrapotassium 5-amino-9,10-dioxo-8-({3-sulfonato-4-[(sulfonatoacetyl)amino]phenyl}amino)-9,10-dihydroanthracene-1,7-disulfonate",[K+].[K+].[K+].[K+].Nc1cc(c(Nc2ccc(NC(=O)CS(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])c3C(=O)c4c(cccc4S(=O)(=O)[O-])C(=O)c13)S(=O)(=O)[O-],[K+].[K+].[K+].[K+].Nc1cc(c(Nc2ccc(NC(=O)CS(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])c3C(=O)c4c(cccc4S(=O)(=O)[O-])C(=O)c13)S(=O)(=O)[O-],"InChI=1/C22H17N3O15S4.4K/c23-11-7-15(44(38,39)40)20(19-18(11)21(27)10-2-1-3-13(42(32,33)34)17(10)22(19)28)24-9-4-5-12(14(6-9)43(35,36)37)25-16(26)8-41(29,30)31;;;;/h1-7,24H,8,23H2,(H,25,26)(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4",C22H17N3O15S4.4K,,,,,,DZRQYPVNVSQAIN-UHFFFAOYSA-J,,,,,,,,,,,
100.046.640,251-319-9,32981-34-3,"Nicotinic acid, compound with a-[(butylamino)methyl]-p-hydroxybenzyl alcohol",nicotinic acid - 4-[2-(butylamino)-1-hydroxyethyl]phenol (1:1),CCCCNCC(O)c1ccc(O)cc1.OC(=O)c2cccnc2,CCCCNCC(O)c1ccc(O)cc1.OC(=O)c2cccnc2,"InChI=1/C12H19NO2.C6H5NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;8-6(9)5-2-1-3-7-4-5/h4-7,12-15H,2-3,8-9H2,1H3;1-4H,(H,8,9)",C12H19NO2.C6H5NO2,,,,,,LAXWZPSLEWFPNP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.399,277-462-7,73410-10-3,2-(isopropyl)-5-methyl-N-propylcyclohexanecarboxamide,2-isopropyl-5-methyl-N-propylcyclohexanecarboxamide,CCCNC(=O)C1CC(C)CCC1C(C)C,CCCNC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C14H27NO/c1-5-8-15-14(16)13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,15,16)",C14H27NO,,,,,,VHLYQNIIJBSJPU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.401,277-464-8,73410-12-5,2-(isopropyl)-N-(2-methylpropyl)-5-methylcyclohexanecarboxamide,N-isobutyl-2-isopropyl-5-methylcyclohexanecarboxamide,CC(C)CNC(=O)C1CC(C)CCC1C(C)C,CC(C)CNC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C15H29NO/c1-10(2)9-16-15(17)14-8-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3,(H,16,17)",C15H29NO,,,,,,ITJYYFZIWYPAGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.405,277-469-5,73423-36-6,3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(methylamino)methyl]oxazolidin-2-one,"3-{4-[(3-chlorobenzyl)oxy]phenyl}-5-[(methylamino)methyl]-1,3-oxazolidin-2-one",CNCC1CN(C(=O)O1)c2ccc(OCc3cccc(Cl)c3)cc2,CNCC1CN(C(=O)O1)c2ccc(OCc3cccc(Cl)c3)cc2,"InChI=1/C18H19ClN2O3/c1-20-10-17-11-21(18(22)24-17)15-5-7-16(8-6-15)23-12-13-3-2-4-14(19)9-13/h2-9,17,20H,10-12H2,1H3",C18H19ClN2O3,,,,,,KYXSTSXVEXKFJI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.406,277-470-0,73427-36-8,5-oxo-1-(phenylacetyl)-L-proline,5-oxo-1-(phenylacetyl)-L-proline,OC(=O)[C@@H]1CCC(=O)N1C(=O)Cc2ccccc2,OC(=O)[C@@H]1CCC(=O)N1C(=O)Cc2ccccc2,"InChI=1/C13H13NO4/c15-11-7-6-10(13(17)18)14(11)12(16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)",C13H13NO4,,,,,,ORJNCNQYVLJMOS-JTQLQIEISA-N,,,,,,,,,,,
100.070.413,277-477-9,73467-20-6,[2-[2-isobutoxymethylethoxy]methylethoxy]propanol,1-[3-(3-isobutoxypropoxy)propoxy]propan-1-ol,CCC(O)OCCCOCCCOCC(C)C,CCC(O)OCCCOCCCOCC(C)C,"InChI=1/C13H28O4/c1-4-13(14)17-10-6-8-15-7-5-9-16-11-12(2)3/h12-14H,4-11H2,1-3H3",C13H28O4,,,,,,RZIKXBGEZIUVEO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.932,259-345-2,54783-36-7,2-hydroxy-3-(isopropyl)-6-methylcyclohex-2-en-1-one,2-hydroxy-3-isopropyl-6-methylcyclohex-2-en-1-one,CC(C)C1=C(O)C(=O)C(C)CC1,CC(C)C1=C(O)C(=O)C(C)CC1,"InChI=1/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-7,12H,4-5H2,1-3H3",C10H16O2,,,,,,POVACFJTDXZOQT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.934,259-347-3,54785-02-3,Adamexine,"N-(2-{[adamantan-1-yl(methyl)amino]methyl}-4,6-dibromophenyl)acetamide",CN(Cc1cc(Br)cc(Br)c1NC(=O)C)C23CC4CC(CC(C4)C2)C3,CN(Cc1cc(Br)cc(Br)c1NC(=O)C)C23CC4CC(CC(C4)C2)C3,"InChI=1/C20H26Br2N2O/c1-12(25)23-19-16(6-17(21)7-18(19)22)11-24(2)20-8-13-3-14(9-20)5-15(4-13)10-20/h6-7,13-15H,3-5,8-11H2,1-2H3,(H,23,25)",C20H26Br2N2O,,,,,,HJJAXSOTUNRQSF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.941,259-355-7,54804-85-2,"Disodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4'-[(2,4-diaminophenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O)c(C)c5)c(N)c6,[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O)c(C)c5)c(N)c6,"InChI=1/C36H31N9O7S2.2Na/c1-19-14-21(8-11-27(19)41-43-29-13-10-24(37)18-26(29)38)22-9-12-28(20(2)15-22)42-44-34-30(53(47,48)49)16-23-17-31(54(50,51)52)35(36(46)32(23)33(34)39)45-40-25-6-4-3-5-7-25;;/h3-18,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C36H31N9O7S2.2Na,,,,,,DHQJMKJYFOHOSY-UHFFFAOYSA-L,,,,,,,,,,,
100.053.945,259-359-9,54814-64-1,"5,6-dihydro-6-pentyl-2H-pyran-2-one","6-pentyl-5,6-dihydro-2H-pyran-2-one",CCCCCC1CC=CC(=O)O1,CCCCCC1CC=CC(=O)O1,"InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3",C10H16O2,,,,,,NEDIAPMWNCQWNW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.949,259-364-6,54827-17-7,"3,3',5,5'-tetramethylbenzidine","3,3',5,5'-tetramethylbiphenyl-4,4'-diamine",Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,"InChI=1/C16H20N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8H,17-18H2,1-4H3",C16H20N2,,,,,,UAIUNKRWKOVEES-UHFFFAOYSA-N,,,,,,,,,,,
100.053.955,259-370-9,54839-24-6,2-ethoxy-1-methylethyl acetate,2-ethoxy-1-methylethyl acetate,CCOCC(C)OC(=O)C,CCOCC(C)OC(=O)C,"InChI=1/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3",C7H14O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2030,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.955,LIPRQQHINVWJCH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.578,256-755-3,50772-29-7,"4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride","4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl chloride",CCC(C)(C)c1ccc(OCCCC(=O)Cl)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Cl)c(c1)C(C)(C)CC,"InChI=1/C20H31ClO2/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3",C20H31ClO2,,,,,,WBQWCMNVBGTAAM-UHFFFAOYSA-N,,,,,,,,,,,
100.051.579,256-756-9,50772-35-5,"4-[2,4-bis(tert-pentyl)phenoxy]butyric acid","4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoic acid",CCC(C)(C)c1ccc(OCCCC(=O)O)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)O)c(c1)C(C)(C)CC,"InChI=1/C20H32O3/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3,(H,21,22)",C20H32O3,,,,,,LZSDVFDKDUZVFK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.580,256-757-4,50774-65-7,"3-ethyl-2,5-dimethylbenzothiazolium iodide","3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]1c(C)sc2ccc(C)cc12,[I-].CC[n+]1c(C)sc2ccc(C)cc12,"InChI=1/C11H14NS.HI/c1-4-12-9(3)13-11-6-5-8(2)7-10(11)12;/h5-7H,4H2,1-3H3;1H/q+1;/p-1",C11H14NS.I,,,,,,SDRAKXLNMLPVHD-UHFFFAOYSA-M,,,,,,,,,,,
100.051.581,256-759-5,50780-99-9,Diisobutyl malonate,diisobutyl malonate,CC(C)COC(=O)CC(=O)OCC(C)C,CC(C)COC(=O)CC(=O)OCC(C)C,"InChI=1/C11H20O4/c1-8(2)6-14-10(12)5-11(13)15-7-9(3)4/h8-9H,5-7H2,1-4H3",C11H20O4,,,,,,SWBJZPDGKVYSLT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.217,256-358-5,48140-98-3,"3,4-dibromohexahydrophthalic acid","3,4-dibromocyclohexane-1,2-dicarboxylic acid",OC(=O)C1CCC(Br)C(Br)C1C(=O)O,OC(=O)C1CCC(Br)C(Br)C1C(=O)O,"InChI=1/C8H10Br2O4/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h3-6H,1-2H2,(H,11,12)(H,13,14)",C8H10Br2O4,,,,,,DIPJGMPDQLOXKH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.221,256-362-7,48176-62-1,N-tosyl-D-aspartic acid,N-[(4-methylphenyl)sulfonyl]-D-aspartic acid,Cc1ccc(cc1)S(=O)(=O)N[C@H](CC(=O)O)C(=O)O,Cc1ccc(cc1)S(=O)(=O)N[C@H](CC(=O)O)C(=O)O,"InChI=1/C11H13NO6S/c1-7-2-4-8(5-3-7)19(17,18)12-9(11(15)16)6-10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)",C11H13NO6S,,,,,,SVCQSZKHLAERDL-SECBINFHSA-N,,,,,,,,,,,
100.051.223,256-364-8,49541-26-6,Dichloro(2-methoxyethoxy)methylsilane,[dichloro(2-methoxyethoxy)methyl]silane,COCCOC([SiH3])(Cl)Cl,COCCOC([SiH3])(Cl)Cl,"InChI=1/C4H10Cl2O2Si/c1-7-2-3-8-4(5,6)9/h2-3H2,1,9H3",C4H10Cl2O2Si,,,,,,RMNIRGJWOHEREU-UHFFFAOYSA-N,,,,,,,,,,,
100.051.227,256-369-5,49555-48-8,"1,4:3,6-dianhydro-D-glucitol didodecanoate","1,4:3,6-dianhydro-2,5-di-O-dodecanoyl-D-glucitol",CCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCCCCCC,"InChI=1/C30H54O6/c1-3-5-7-9-11-13-15-17-19-21-27(31)35-25-23-33-30-26(24-34-29(25)30)36-28(32)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3",C30H54O6,,,,,,PVLSEUVJZATYSQ-QUKNIHFLSA-N,,,,,,,,,,,
100.051.229,256-371-6,49556-25-4,N-(aminocarbonyl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-3-carboxamide,N-carbamoyl-7-(diethylamino)-2-oxo-2H-chromene-3-carboxamide,CCN(CC)c1ccc2C=C(C(=O)NC(=O)N)C(=O)Oc2c1,CCN(CC)c1ccc2C=C(C(=O)NC(=O)N)C(=O)Oc2c1,"InChI=1/C15H17N3O4/c1-3-18(4-2)10-6-5-9-7-11(13(19)17-15(16)21)14(20)22-12(9)8-10/h5-8H,3-4H2,1-2H3,(H3,16,17,19,21)",C15H17N3O4,,,,,,RGVDWMORKKYCMS-UHFFFAOYSA-N,,,,,,,,,,,
100.051.236,256-378-4,49564-56-9,Fazadinium bromide,"1,1'-diazene-1,2-diylbis(3-methyl-2-phenyl-1H-imidazo[1,2-a]pyridin-4-ium) dibromide",[Br-].[Br-].Cc6[n+]1ccccc1n(N=Nn4c2cccc[n+]2c(C)c4c3ccccc3)c6c5ccccc5,[Br-].[Br-].Cc6[n+]1ccccc1n(N=Nn4c2cccc[n+]2c(C)c4c3ccccc3)c6c5ccccc5,"InChI=1/C28H24N6.2BrH/c1-21-27(23-13-5-3-6-14-23)33(25-17-9-11-19-31(21)25)29-30-34-26-18-10-12-20-32(26)22(2)28(34)24-15-7-4-8-16-24;;/h3-20H,1-2H3;2*1H/q+2;;/p-2",C28H24N6.2Br,,,,,,LBOZSXSPRGACHC-UHFFFAOYSA-L,,,,,,,,,,,
100.051.248,256-392-0,49592-61-2,"4-chlorotetrahydrothiophen-3-ol 1,1-dioxide","4-chlorotetrahydrothiophene-3-ol 1,1-dioxide",OC1CS(=O)(=O)CC1Cl,OC1CS(=O)(=O)CC1Cl,"InChI=1/C4H7ClO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2H2",C4H7ClO3S,,,,,,OIPVZGSYIJYEGU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.193,253-029-8,36429-14-8,"1,3,3-trimethyl-2-methylene-5-nitroindoline","1,3,3-trimethyl-2-methylene-5-nitroindoline",CN1C(=C)C(C)(C)c2cc(ccc12)[N+](=O)[O-],CN1C(=C)C(C)(C)c2cc(ccc12)[N+](=O)[O-],"InChI=1/C12H14N2O2/c1-8-12(2,3)10-7-9(14(15)16)5-6-11(10)13(8)4/h5-7H,1H2,2-4H3",C12H14N2O2,,,,,,WHFGEAVJRDAMNU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.194,253-030-3,36429-48-8,m-(2-phenoxyethoxy)phenol,3-(2-phenoxyethoxy)phenol,Oc1cccc(OCCOc2ccccc2)c1,Oc1cccc(OCCOc2ccccc2)c1,"InChI=1/C14H14O3/c15-12-5-4-8-14(11-12)17-10-9-16-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2",C14H14O3,,,,,,JZAQIRCTLGLNPD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.197,253-034-5,36432-46-9,Ditridecyl phosphonate,ditridecyl phosphonate,CCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCC,"InChI=1/C26H55O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-26H2,1-2H3",C26H55O3P,,,,,,BDZYUTQMWUWPLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.722,280-018-5,82758-41-6,"m-tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","3-methylphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Cc1cccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c1,Cc1cccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c1,"InChI=1/C17H12N2O4S/c1-11-4-2-5-12(10-11)23-24(21,22)16-7-3-6-14-13(16)8-9-15(19-18)17(14)20/h2-10H,1H3",C17H12N2O4S,,,,,,ZDHKVKPEDSPOQO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.724,280-020-6,82760-40-5,Ethyl 4-[[2-(acetylamino)-4-[bis(2-hydroxyethyl)amino]-5-ethoxyphenyl]azo]-3-cyano-5-nitrobenzoate,ethyl 4-({2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxyphenyl}diazenyl)-3-cyano-5-nitrobenzoate,CCOc2cc(N=Nc1c(cc(cc1C#N)C(=O)OCC)[N+]([O-])=O)c(cc2N(CCO)CCO)NC(C)=O,CCOc2cc(N=Nc1c(cc(cc1C#N)C(=O)OCC)[N+]([O-])=O)c(cc2N(CCO)CCO)NC(C)=O,"InChI=1/C24H28N6O8/c1-4-37-22-13-19(18(26-15(3)33)12-20(22)29(6-8-31)7-9-32)27-28-23-17(14-25)10-16(24(34)38-5-2)11-21(23)30(35)36/h10-13,31-32H,4-9H2,1-3H3,(H,26,33)",C24H28N6O8,,,,,,PVPWCBYYQWZPQP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.727,280-023-2,82760-43-8,Ethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-tolyl]azo]-3-bromo-5-nitrobenzoate,ethyl 4-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)-3-bromo-5-nitrobenzoate,Brc2cc(cc(c2N=Nc1ccc(cc1C)N(CCO)CCO)[N+]([O-])=O)C(=O)OCC,Brc2cc(cc(c2N=Nc1ccc(cc1C)N(CCO)CCO)[N+]([O-])=O)C(=O)OCC,"InChI=1/C20H23BrN4O6/c1-3-31-20(28)14-11-16(21)19(18(12-14)25(29)30)23-22-17-5-4-15(10-13(17)2)24(6-8-26)7-9-27/h4-5,10-12,26-27H,3,6-9H2,1-2H3",C20H23BrN4O6,,,,,,YAVXXWFSPXTPCW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.647,251-327-2,32998-00-8,"6-chloro-1,3,5-triazine-2,4(1H,3H)-dione, sodium salt",-,[Na+].ClC1=NC(=O)NC(=O)N1,[Na+].ClC1=NC(=O)NC(=O)N1,"InChI=1/C3H2ClN3O2.Na/c4-1-5-2(8)7-3(9)6-1;/h(H2,5,6,7,8,9);/q;+1",C3H2ClN3O2.Na,,,,,,GTZITCVVOATWCB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.650,251-330-9,33006-24-5,2-[p-(dimethylamino)styryl]-1-methylpyridinium toluene-p-sulphonate,2-{2-[4-(dimethylamino)phenyl]vinyl}-1-methylpyridinium 4-methylbenzenesulfonate,CN(C)c1ccc(\\C=C\\c2cccc[n+]2C)cc1.Cc3ccc(cc3)S(=O)(=O)[O-],CN(C)c1ccc(\C=C\c2cccc[n+]2C)cc1.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C16H19N2.C7H8O3S/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C16H19N2.C7H7O3S,,,,,,PYYQQLHMGIKUEM-UHFFFAOYSA-M,,,,,,,,,,,
100.046.656,251-337-7,33008-06-9,5-dimethylaminonaphthalene-1-sulphonohydrazide,5-(dimethylamino)naphthalene-1-sulfonohydrazide,CN(C)c1cccc2c(cccc12)S(=O)(=O)NN,CN(C)c1cccc2c(cccc12)S(=O)(=O)NN,"InChI=1/C12H15N3O2S/c1-15(2)11-7-3-6-10-9(11)5-4-8-12(10)18(16,17)14-13/h3-8,14H,13H2,1-2H3",C12H15N3O2S,,,,,,KPQYDVAFRDWIBW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.658,251-339-8,33008-67-2,"5-amino-2-(2,4-dichloro-6-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one","5-amino-2-(2,4-dichloro-6-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one",COc1cc(Cl)cc(Cl)c1N2N=C(N)CC2=O,COc1cc(Cl)cc(Cl)c1N2N=C(N)CC2=O,"InChI=1/C10H9Cl2N3O2/c1-17-7-3-5(11)2-6(12)10(7)15-9(16)4-8(13)14-15/h2-3H,4H2,1H3,(H2,13,14)",C10H9Cl2N3O2,,,,,,OHOJALQXKVUGNB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.664,251-346-6,33018-91-6,"Ethyl hydrogen heptane-1,7-dioate",7-ethoxy-7-oxoheptanoic acid,CCOC(=O)CCCCCC(=O)O,CCOC(=O)CCCCCC(=O)O,"InChI=1/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)",C9H16O4,,,,,,NQYXFXWKKYGBNL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.669,251-351-3,33032-12-1,Methapyrilene fumarate,"N,N-dimethyl-N'-pyridin-2-yl-N'-(2-thienylmethyl)ethane-1,2-diamine but-2-enedioate",CN(C)CCN(Cc1cccs1)c2ccccn2.OC(=O)\\C=C\\C(=O)O,CN(C)CCN(Cc1cccs1)c2ccccn2.OC(=O)\C=C\C(=O)O,"InChI=1/C14H19N3S.C4H4O4/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;5-3(6)1-2-4(7)8/h3-8,11H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C14H19N3S.3/2C4H4O4,,,,,,GYIUBPDECOMZDC-WLHGVMLRSA-N,,,,,,,,,,,
100.046.677,251-360-2,33046-41-2,6-phenylhex-3-en-2-one,6-phenylhex-3-en-2-one,CC(=O)C=CCCc1ccccc1,CC(=O)C=CCCc1ccccc1,"InChI=1/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,7-9H,6,10H2,1H3",C12H14O,,,,,,PHEPHOADHFLZJS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.680,251-363-9,33059-05-1,2-hydroxy-4-(isooctoxy)benzophenone,{2-hydroxy-4-[(6-methylheptyl)oxy]phenyl}(phenyl)methanone,CC(C)CCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CC(C)CCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C21H26O3/c1-16(2)9-5-4-8-14-24-18-12-13-19(20(22)15-18)21(23)17-10-6-3-7-11-17/h3,6-7,10-13,15-16,22H,4-5,8-9,14H2,1-2H3",C21H26O3,,,,,,HLVLKTYUBIGFFB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.687,251-371-2,33083-83-9,Undecan-5-one,undecan-5-one,CCCCCCC(=O)CCCC,CCCCCCC(=O)CCCC,"InChI=1/C11H22O/c1-3-5-7-8-10-11(12)9-6-4-2/h3-10H2,1-2H3",C11H22O,,,,,,WENNKWXPAWNIOO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.984,259-402-1,54946-60-0,"1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-methoxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc1,"InChI=1/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)",C21H16N2O6S,,,,,,MURCBJRRFKMCAT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.066,283-703-7,84696-95-7,"5-(5-chloro-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid","[5-(5-chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",O=C(O)CN1C(=O)C(SC1=S)=C3N(C)c2ccc(Cl)cc2N3C,O=C(O)CN1C(=O)C(SC1=S)=C3N(C)c2ccc(Cl)cc2N3C,"InChI=1/C14H12ClN3O3S2/c1-16-8-4-3-7(15)5-9(8)17(2)12(16)11-13(21)18(6-10(19)20)14(22)23-11/h3-5H,6H2,1-2H3,(H,19,20)",C14H12ClN3O3S2,,,,,,OFJGGNFWLYDYSG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.068,283-705-8,84696-97-9,Diammonium dihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,diammonium dihydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.2H3N/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);2*1H3/p-2",C4H13NO7P2.2H3N,,,,,,VSBAYBKIVFSFPR-UHFFFAOYSA-L,,,,,,,,,,,
100.076.074,283-712-6,84697-03-0,"1,4-dichloro-2-ethoxybenzene","1,4-dichloro-2-ethoxybenzene",CCOc1cc(Cl)ccc1Cl,CCOc1cc(Cl)ccc1Cl,"InChI=1/C8H8Cl2O/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3",C8H8Cl2O,,,,,,OVAZWESSMNUVSU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.076,283-714-7,84697-05-2,(p-chlorobenzyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride,"N-(4-chlorobenzyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1,[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1,"InChI=1/C24H41ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-14-24(28)26-19-13-20-27(2,3)21-22-15-17-23(25)18-16-22;/h15-18H,4-14,19-21H2,1-3H3;1H",C24H42ClN2O.Cl,,,,,,VOOJAJLCDLZCHH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.077,283-715-2,84697-06-3,"(2,4-dichlorobenzyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride","N-(2,4-dichlorobenzyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl,[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl,"InChI=1/C24H40Cl2N2O.ClH/c1-4-5-6-7-8-9-10-11-12-14-24(29)27-17-13-18-28(2,3)20-21-15-16-22(25)19-23(21)26;/h15-16,19H,4-14,17-18,20H2,1-3H3;1H",C24H41Cl2N2O.Cl,,,,,,ZUZMMLFLCTWMHS-UHFFFAOYSA-N,,,,,,,,,,,
100.076.079,283-717-3,84697-08-5,2-methoxyethyl 4-hydroxybenzoate,2-methoxyethyl 4-hydroxybenzoate,COCCOC(=O)c1ccc(O)cc1,COCCOC(=O)c1ccc(O)cc1,"InChI=1/C10H12O4/c1-13-6-7-14-10(12)8-2-4-9(11)5-3-8/h2-5,11H,6-7H2,1H3",C10H12O4,,,,,,GZIBHKMXDFJXQY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.081,283-719-4,84697-10-9,9-acetyldodecahydro-1H-carbazole,9-acetyldodecahydro-1H-carbazole,CC(=O)N1C2CCCCC2C3CCCCC13,CC(=O)N1C2CCCCC2C3CCCCC13,"InChI=1/C14H23NO/c1-10(16)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h11-14H,2-9H2,1H3",C14H23NO,,,,,,WCFMVZYSXWPQCW-UHFFFAOYSA-N,,,,,,,,,,,
100.076.082,283-721-5,84697-11-0,"5,5-dimethyl-2-(1-phenylethyl)-1,3-dioxane","5,5-dimethyl-2-(1-phenylethyl)-1,3-dioxane",CC(C1OCC(C)(C)CO1)c2ccccc2,CC(C1OCC(C)(C)CO1)c2ccccc2,"InChI=1/C14H20O2/c1-11(12-7-5-4-6-8-12)13-15-9-14(2,3)10-16-13/h4-8,11,13H,9-10H2,1-3H3",C14H20O2,,,,,,CYSFBBKZAKVSNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.084,283-723-6,84697-13-2,4-tert-butoxybenzylamine,1-(4-tert-butoxyphenyl)methanamine,CC(C)(C)Oc1ccc(CN)cc1,CC(C)(C)Oc1ccc(CN)cc1,"InChI=1/C11H17NO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3",C11H17NO,,,,,,HOKKUMFXFSCQHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.497,257-765-0,52234-82-9,"2-[(3-aziridin-1-ylpropionyl)methyl]-2-ethylpropane-1,3-diyl bis(aziridine-1-propionate)",6-aziridin-1-yl-2-{[(3-aziridin-1-ylpropanoyl)oxy]methyl}-2-ethyl-4-oxohexyl 3-aziridin-1-ylpropanoate (non-preferred name),CCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)CC(=O)CCN3CC3,CCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)CC(=O)CCN3CC3,"InChI=1/C21H35N3O5/c1-2-21(15-18(25)3-6-22-9-10-22,16-28-19(26)4-7-23-11-12-23)17-29-20(27)5-8-24-13-14-24/h2-17H2,1H3",C21H35N3O6,,,,,,ZQJQJCKOJJMMAV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.135,258-467-3,53304-43-1,"4,11-diamino-2-(2,3-diphenylpropyl)-1H-naphth(2,3-f]isoindole-1,3,5,10(2H)-tetrone","4,11-diamino-2-(2,3-diphenylpropyl)-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",Nc1c2C(=O)N(CC(Cc3ccccc3)c4ccccc4)C(=O)c2c(N)c5C(=O)c6ccccc6C(=O)c15,Nc1c2C(=O)N(CC(Cc3ccccc3)c4ccccc4)C(=O)c2c(N)c5C(=O)c6ccccc6C(=O)c15,"InChI=1/C31H23N3O4/c32-26-22-23(29(36)21-14-8-7-13-20(21)28(22)35)27(33)25-24(26)30(37)34(31(25)38)16-19(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,19H,15-16,32-33H2",C31H23N3O4,,,,,,XJZVJDLFBCQWIK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.136,258-468-9,53305-44-5,"p-[(4-amino-2,5-xylyl)azo]benzenesulphonic acid","4-[(4-amino-2,6-dimethylphenyl)diazenyl]benzenesulfonic acid",Cc1cc(N)cc(C)c1N=Nc2ccc(cc2)S(=O)(=O)O,Cc1cc(N)cc(C)c1N=Nc2ccc(cc2)S(=O)(=O)O,"InChI=1/C14H15N3O3S/c1-9-7-11(15)8-10(2)14(9)17-16-12-3-5-13(6-4-12)21(18,19)20/h3-8H,15H2,1-2H3,(H,18,19,20)",C14H15N3O3S,,,,,,NYYPWMILHLXKDH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.143,258-476-2,53320-86-8,"Silicic acid, lithium magnesium sodium salt",-,[Li+].[Na+].[Mg+2].[O-][Si](=O)[O-],[Li+].[Na+].[Mg+2].[O-][Si](=O)[O-],InChI=1/Li.Mg.Na.O3Si/c;;;1-4(2)3/q+1;+2;+1;-2,-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10820,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.143,KSVAZZZMZILLRL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.150,258-484-6,53332-62-0,2-[(4-methoxyphenyl)methylamino]ethanol,2-[(4-methoxyphenyl)(methyl)amino]ethanol,COc1ccc(cc1)N(C)CCO,COc1ccc(cc1)N(C)CCO,"InChI=1/C10H15NO2/c1-11(7-8-12)9-3-5-10(13-2)6-4-9/h3-6,12H,7-8H2,1-2H3",C10H15NO2,,,,,,MPKJAXONTJGSCI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.958,259-374-0,54849-38-6,"Triisooctyl 2,2',2''-[(methylstannylidyne)tris(thio)]triacetate","6-methylheptyl 4,14-dimethyl-4-({2-[(6-methylheptyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate",CC(C)CCCCCOC(=O)CS[Sn](C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CS[Sn](C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,"InChI=1/3C10H20O2S.CH3.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3/rC31H60O6S3Sn/c1-26(2)17-11-8-14-20-35-29(32)23-38-41(7,39-24-30(33)36-21-15-9-12-18-27(3)4)40-25-31(34)37-22-16-10-13-19-28(5)6/h26-28H,8-25H2,1-7H3",C31H60O6S3Sn,,,,,,NIXLJQORAUOBAU-UHFFFAOYSA-K,,,,,,,,,,,
100.053.961,259-377-7,54856-23-4,2-(ethylammonio)-N-methylpyridinium dimethanesulphonate,2-(ethylammonio)-1-methylpyridinium dimethanesulfonate,CC[NH2+]c1cccc[n+]1C.CS(=O)(=O)[O-].CS(=O)(=O)[O-],CC[NH2+]c1cccc[n+]1C.CS(=O)(=O)[O-].CS(=O)(=O)[O-],"InChI=1/C8H12N2.2CH4O3S/c1-3-9-8-6-4-5-7-10(8)2;2*1-5(2,3)4/h4-7H,3H2,1-2H3;2*1H3,(H,2,3,4)",C8H12N2.2CH4O3S,,,,,,HVUKLLTVGWTUIU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.968,259-385-0,54889-48-4,"1,1-diethoxyoctane","1,1-diethoxyoctane",CCCCCCCC(OCC)OCC,CCCCCCCC(OCC)OCC,"InChI=1/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3",C12H26O2,,,,,,BRKIPAWFUDCCOO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.710,280-004-9,82599-59-5,"6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonic acid","6-({2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid",Oc2c(ccc(O)c2N=Nc1cc(cc([N+]([O-])=O)c1O)S(O)(=O)=O)N=Nc4cc5c(O)c(N=Nc3ccc(cc3)[N+]([O-])=O)c(cc5cc4)S(O)(=O)=O,Oc2c(ccc(O)c2N=Nc1cc(cc([N+]([O-])=O)c1O)S(O)(=O)=O)N=Nc4cc5c(O)c(N=Nc3ccc(cc3)[N+]([O-])=O)c(cc5cc4)S(O)(=O)=O,"InChI=1/C28H18N8O14S2/c37-22-8-7-19(28(40)24(22)33-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42/h1-12,37-40H,(H,45,46,47)(H,48,49,50)",C28H18N8O14S2,,,,,,WZASHSRORGLPMT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.717,280-012-2,82701-58-4,2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl methacrylate,2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl methacrylate,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOC(=O)C(C)=C)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOC(=O)C(C)=C)[N+]([O-])=O,"InChI=1/C20H21ClN4O4/c1-4-24(11-12-29-20(26)14(2)3)16-7-5-15(6-8-16)22-23-19-10-9-17(25(27)28)13-18(19)21/h5-10,13H,2,4,11-12H2,1,3H3",C20H21ClN4O4,,,,,,UJXGDBTUUWCZLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.721,280-016-4,82737-31-3,"4-[(2-bromo-4,6-dinitrophenyl)azo]-N,N-diethyl-m-toluidine","4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-3-methylaniline",Brc2cc(cc(c2N=Nc1ccc(cc1C)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1ccc(cc1C)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C17H18BrN5O4/c1-4-21(5-2)12-6-7-15(11(3)8-12)19-20-17-14(18)9-13(22(24)25)10-16(17)23(26)27/h6-10H,4-5H2,1-3H3",C17H18BrN5O4,,,,,,PTJPMIIZEXPUBE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.726,280-022-7,82760-42-7,Ethyl 4-amino-3-bromo-5-nitrobenzoate,ethyl 4-amino-3-bromo-5-nitrobenzoate,CCOC(=O)c1cc(Br)c(N)c(c1)[N+](=O)[O-],CCOC(=O)c1cc(Br)c(N)c(c1)[N+](=O)[O-],"InChI=1/C9H9BrN2O4/c1-2-16-9(13)5-3-6(10)8(11)7(4-5)12(14)15/h3-4H,2,11H2,1H3",C9H9BrN2O4,,,,,,QANVLXVFIRTXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.729,280-025-3,82766-40-3,"3,7-dimethyl-6-octenyl 3,7-dimethyloct-6-enoate","3,7-dimethyloct-6-en-1-yl 3,7-dimethyloct-6-enoate",CC(CCOC(=O)CC(C)CCC=C(C)C)CCC=C(C)C,CC(CCOC(=O)CC(C)CCC=C(C)C)CCC=C(C)C,"InChI=1/C20H36O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,18-19H,7-8,11-15H2,1-6H3",C20H36O2,,,,,,HUZXZYWMBWQTNX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.652,251-333-5,33006-80-3,5-[3-(carboxymethyl)-5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"2,2'-{5-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-4,4'-dioxo-2'-thioxo-2,5'-bi-1,3-thiazolidine-3,3'-diyl}diacetic acid",OC(=O)CN4C(=S)SC(=C3SC(=CC=C1Sc2ccccc2N1CC)C(=O)N3CC(O)=O)C4=O,OC(=O)CN4C(=S)SC(=C3SC(=CC=C1Sc2ccccc2N1CC)C(=O)N3CC(O)=O)C4=O,"InChI=1/C21H17N3O6S4/c1-2-22-11-5-3-4-6-12(11)32-14(22)8-7-13-18(29)23(9-15(25)26)20(33-13)17-19(30)24(10-16(27)28)21(31)34-17/h3-8H,2,9-10H2,1H3,(H,25,26)(H,27,28)",C21H17N3O6S4,,,,,,OIVXXGLSVHGVOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.654,251-335-6,33007-61-3,"2,2'-[thiobis(methylene)]bis-1H-benzimidazole","2,2'-[sulfanediylbis(methylene)]bis(1H-benzimidazole)",C(SCc1nc2ccccc2[nH]1)c3nc4ccccc4[nH]3,C(SCc1nc2ccccc2[nH]1)c3nc4ccccc4[nH]3,"InChI=1/C16H14N4S/c1-2-6-12-11(5-1)17-15(18-12)9-21-10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20)",C16H14N4S,,,,,,PLROPLMRAPJFHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.655,251-336-1,33007-83-9,"2-ethyl-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]","2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate (non-preferred name)",CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,"InChI=1/C15H26O6S3/c1-2-15(9-19-12(16)3-6-22,10-20-13(17)4-7-23)11-21-14(18)5-8-24/h22-24H,2-11H2,1H3",C15H26O6S3,,,,,,IMQFZQVZKBIPCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.657,251-338-2,33008-65-0,"5-amino-2-(2,6-dichloro-4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one","5-amino-2-(2,6-dichloro-4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one",COc1cc(Cl)c(N2N=C(N)CC2=O)c(Cl)c1,COc1cc(Cl)c(N2N=C(N)CC2=O)c(Cl)c1,"InChI=1/C10H9Cl2N3O2/c1-17-5-2-6(11)10(7(12)3-5)15-9(16)4-8(13)14-15/h2-3H,4H2,1H3,(H2,13,14)",C10H9Cl2N3O2,,,,,,OUWWIVIPQVUTDU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.665,251-347-1,33021-02-2,"1-(1,1-dimethylethoxy)-2-methylpropane",tert-butyl isobutyl ether,CC(C)COC(C)(C)C,CC(C)COC(C)(C)C,"InChI=1/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3",C8H18O,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1780,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.665,UPOMCDPCTBJJDA-UHFFFAOYSA-N,,,,,,,,,,,
100.048.200,253-037-1,36437-37-3,2-(2H-benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)phenol,2-(2H-benzotriazol-2-yl)-6-sec-butyl-4-tert-butylphenol,CCC(C)c1cc(cc(c1O)n2nc3ccccc3n2)C(C)(C)C,CCC(C)c1cc(cc(c1O)n2nc3ccccc3n2)C(C)(C)C,"InChI=1/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3",C20H25N3O,,,,,,RTNVDKBRTXEWQE-UHFFFAOYSA-N,,,,,,,,,,,
100.048.205,253-042-9,36451-09-9,"3-diazo-3,4-dihydro-4-oxonaphthalene-1-sulfonyl chloride","3-diazo-4-oxo-3,4-dihydronaphthalene-1-sulfonyl chloride",ClS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc12,ClS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc12,"InChI=1/C10H5ClN2O3S/c11-17(15,16)9-5-8(13-12)10(14)7-4-2-1-3-6(7)9/h1-5H",C10H5ClN2O3S,,,,,,HAGVXVSNIARVIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.211,253-049-7,36457-20-2,Sodium butyl 4-hydroxybenzoate,-,[Na+].CCCCOC(=O)c1ccc(O)cc1,[Na+].CCCCOC(=O)c1ccc(O)cc1,"InChI=1/C11H14O3.Na/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;/h4-7,12H,2-3,8H2,1H3;/q;+1",C11H14O3.Na,,,,,,OGBHACNFHJJTQT-UHFFFAOYSA-N,,,,,,,,,,,
100.048.212,253-050-2,36457-58-6,"N-benzyl-1,1,1-trifluoromethanesulphonamide","N-benzyl-1,1,1-trifluoromethanesulfonamide",FC(F)(F)S(=O)(=O)NCc1ccccc1,FC(F)(F)S(=O)(=O)NCc1ccccc1,"InChI=1/C8H8F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2",C8H8F3NO2S,,,,,,IJHVVEQTOXFGCL-UHFFFAOYSA-N,,,,,,,,,,,
100.048.213,253-051-8,36475-52-2,"[ethane-1,2-diylbis[[(phosphonomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid","[2-{2-[bis(phosphonomethyl)amino]ethyl}-10,10-dihydroxy-10-oxido-5,8-bis(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonic acid (non-preferred name)",OP(=O)(O)CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O,OP(=O)(O)CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C12H36N4O18P6/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)",C12H36N4O18P6,,,,,,AEVPMLJXQLYMMI-UHFFFAOYSA-N,,,,,,,,,,,
100.048.219,253-058-6,36483-60-0,"Diphenyl ether, hexabromo derivative","1,2,3-tribromo-4-(2,3,5-tribromophenoxy)benzene",Brc1cc(Br)c(Br)c(Oc2ccc(Br)c(Br)c2Br)c1,Brc1cc(Br)c(Br)c(Oc2ccc(Br)c(Br)c2Br)c1,InChI=1/C12H4Br6O/c13-5-3-7(15)10(16)9(4-5)19-8-2-1-6(14)11(17)12(8)18/h1-4H,C12H4Br6O,,,,,,YURCHLXPAGSJHU-UHFFFAOYSA-N,,,,,,,,,,,
100.048.220,253-059-1,36490-12-7,Hexadecyl 3-amino-2-butenoate,hexadecyl 3-aminobut-2-enoate,CC(N)=CC(=O)OCCCCCCCCCCCCCCCC,CC(N)=CC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)18-19(2)21/h18H,3-17,21H2,1-2H3",C20H39NO2,,,,,,WOLABOYSWAHDTO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.394,254-353-2,39204-47-2,(chloromethyl)pyrazine,2-(chloromethyl)pyrazine,ClCc1cnccn1,ClCc1cnccn1,"InChI=1/C5H5ClN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2",C5H5ClN2,,,,,,GFHPSQFCHUIFTO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.395,254-354-8,39205-62-4,4-chlorobenzothiazol-2(3H)-one,"4-chloro-1,3-benzothiazol-2(3H)-one",Clc1cccc2SC(=O)Nc12,Clc1cccc2SC(=O)Nc12,"InChI=1/C7H4ClNOS/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)",C7H4ClNOS,,,,,,MBFOZAKOORJAMK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.398,254-357-4,39212-23-2,5-butyldihydro-4-methylfuran-2(3H)-one,5-butyl-4-methyldihydrofuran-2(3H)-one,CCCCC1OC(=O)CC1C,CCCCC1OC(=O)CC1C,"InChI=1/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3",C9H16O2,,,,,,WNVCMFHPRIBNCW-UHFFFAOYSA-N,,,,,,,,,,,
100.049.400,254-360-0,39216-84-7,2-[(3-methoxypropyl)amino]ethanol,2-[(3-methoxypropyl)amino]ethanol,COCCCNCCO,COCCCNCCO,"InChI=1/C6H15NO2/c1-9-6-2-3-7-4-5-8/h7-8H,2-6H2,1H3",C6H15NO2,,,,,,SVWQYWXZTDBOMA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.403,254-363-7,39221-60-8,"2-bromo-N,N-dimethylbutyramide","2-bromo-N,N-dimethylbutanamide",CCC(Br)C(=O)N(C)C,CCC(Br)C(=O)N(C)C,"InChI=1/C6H12BrNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3",C6H12BrNO,,,,,,NNWWOIPEHSLORU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.404,254-364-2,39222-73-6,"5-tert-butyl-1,3,4-thiadiazol-2-amine","5-tert-butyl-1,3,4-thiadiazol-2-amine",CC(C)(C)c1nnc(N)s1,CC(C)(C)c1nnc(N)s1,"InChI=1/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)",C6H11N3S,,,,,,ICXDPEFCLDSXLI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.409,254-370-5,39234-82-7,4-nitro-3-(trifluoromethyl)benzenethiol,4-nitro-3-(trifluoromethyl)benzenethiol,[O-][N+](=O)c1ccc(S)cc1C(F)(F)F,[O-][N+](=O)c1ccc(S)cc1C(F)(F)F,"InChI=1/C7H4F3NO2S/c8-7(9,10)5-3-4(14)1-2-6(5)11(12)13/h1-3,14H",C7H4F3NO2S,,,,,,ANUSENKLRXGUHB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.412,254-373-1,39239-77-5,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecanol","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecan-1-ol",OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H5F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h40H,1-2H2",C14H5F25O,,,,,,QBBJBWKVSJWYQK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.985,259-403-7,54946-80-4,1-amino-4-[(2-methoxyphenyl)amino]anthraquinone,"1-amino-4-[(2-methoxyphenyl)amino]-9,10-anthraquinone",COc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,COc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C21H16N2O3/c1-26-17-9-5-4-8-15(17)23-16-11-10-14(22)18-19(16)21(25)13-7-3-2-6-12(13)20(18)24/h2-11,23H,22H2,1H3",C21H16N2O3,,,,,,KCHSQBUPMQJKRM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.986,259-404-2,54947-74-9,4-methyloctanoic acid,4-methyloctanoic acid,CCCCC(C)CCC(=O)O,CCCCC(C)CCC(=O)O,"InChI=1/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",C9H18O2,,,,,,LEGGANXCVQPIAI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.988,259-406-3,54950-04-8,"(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen maleate","4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)oxy]-4-oxobut-2-enoic acid",OC(=O)\\C=C/C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)\C=C/C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H7F17O4/c15-7(16,3-4-35-6(34)2-1-5(32)33)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-2H,3-4H2,(H,32,33)",C14H7F17O4,,,,,,ULSWUGAAPQZIFJ-UPHRSURJSA-N,,,,,,,,,,,
100.053.994,259-413-1,54965-01-4,"1,2-dichloro-4-(1-chloroethyl)benzene","1,2-dichloro-4-(1-chloroethyl)benzene",CC(Cl)c1ccc(Cl)c(Cl)c1,CC(Cl)c1ccc(Cl)c(Cl)c1,"InChI=1/C8H7Cl3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3",C8H7Cl3,,,,,,RFVRMZZXXWUCEA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.998,259-417-3,54971-26-5,2-bromohexanoyl bromide,2-bromohexanoyl bromide,CCCCC(Br)C(=O)Br,CCCCC(Br)C(=O)Br,"InChI=1/C6H10Br2O/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3",C6H10Br2O,,,,,,CSFUYRGXBNPTSR-UHFFFAOYSA-N,,,,,,,,,,,
100.053.999,259-418-9,54977-77-4,Ethyl 3-[(aminocarbonyl)hydrazono]propionate,ethyl 3-(carbamoylhydrazono)propanoate,NC(=O)NN=CCC(=O)OCC,NC(=O)NN=CCC(=O)OCC,"InChI=1/C6H11N3O3/c1-2-12-5(10)3-4-8-9-6(7)11/h4H,2-3H2,1H3,(H3,7,9,11)",C6H11N3O3,,,,,,FJDSLLZMUFNXHB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.126,254-057-3,38642-74-9,Phenothiazine-2-carbonitrile,10H-phenothiazine-2-carbonitrile,N#Cc1ccc2Sc3ccccc3Nc2c1,N#Cc1ccc2Sc3ccccc3Nc2c1,"InChI=1/C13H8N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H",C13H8N2S,,,,,,XZSIGWOVDPSPMG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.132,254-064-1,38658-53-6,"Tris(D-gluconato-O1,O2)iron","iron(3+) tris(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",O[C@H]([C@@H](O)C(=O)O[Fe](OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)CO,O[C@H]([C@@H](O)C(=O)O[Fe](OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)CO,"InChI=1/3C6H12O7.Fe/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;/h3*2-5,7-11H,1H2,(H,12,13);/q;;;+3/p-3",C18H33FeO21,,,,,,CZNVSLGYWMSMKE-OPDGVEILSA-K,,,,,,,,,,,
100.049.137,254-069-9,38663-58-0,Magnesium bis[3-(octadecylthio)propionate],magnesium bis[3-(octadecylsulfanyl)propanoate],[Mg+2].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-],"InChI=1/2C21H42O2S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-21(22)23;/h2*2-20H2,1H3,(H,22,23);/q;;+2/p-2",C21H42O2S.1/2Mg,,,,,,PCEQZKFBZOBNQO-UHFFFAOYSA-L,,,,,,,,,,,
100.049.139,254-072-5,38664-32-3,Bis(triethylammonium) sulphite,"bis(N,N-diethylethanaminium) sulfite",CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]S(=O)[O-],CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]S(=O)[O-],"InChI=1/2C6H15N.H2O3S/c2*1-4-7(5-2)6-3;1-4(2)3/h2*4-6H2,1-3H3;(H2,1,2,3)",C6H15NO3.1/2H2O3S,,,,,,FDCPZJRFIPCMOL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.730,280-026-9,82774-61-6,4-amino-3-(isopropyl)phenol,4-amino-3-isopropylphenol,CC(C)c1cc(O)ccc1N,CC(C)c1cc(O)ccc1N,"InChI=1/C9H13NO/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6,11H,10H2,1-2H3",C9H13NO,,,,,,HWYSAVAYUJTSLU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.744,280-042-6,82799-45-9,"2,4-diethyl-9H-thioxanthen-9-one 10,10-dioxide","2,4-diethyl-9H-thioxanthen-9-one 10,10-dioxide",CCc1cc(CC)c2c(c1)C(=O)c3ccccc3S2(=O)=O,CCc1cc(CC)c2c(c1)C(=O)c3ccccc3S2(=O)=O,"InChI=1/C17H16O3S/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)21(17,19)20/h5-10H,3-4H2,1-2H3",C17H16O3S,,,,,,NKVRNMCFIYCIQS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.745,280-043-1,82799-46-0,2-dodecyl-9H-thioxanthen-9-one,2-dodecyl-9H-thioxanthen-9-one,CCCCCCCCCCCCc1ccc2Sc3ccccc3C(=O)c2c1,CCCCCCCCCCCCc1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C25H32OS/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24-22(19-20)25(26)21-15-12-13-16-23(21)27-24/h12-13,15-19H,2-11,14H2,1H3",C25H32OS,,,,,,JSLWEMZSKIWXQB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.383,281-848-0,84041-67-8,Dialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate],dialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate],[Al+3].[Al+3].[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34.[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34.[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34,[Al+3].[Al+3].[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34.[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34.[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34,"InChI=1/3C20H14N2O7S2.2Al/c3*23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h3*1-11,23H,(H,24,25,26)(H,27,28,29);;/q;;;2*+3/p-6",C20H14N2O7S2.2/3Al,,,,,,ZXLAFEPTYHTFDH-UHFFFAOYSA-H,,,,,,,,,,,
100.053.154,258-488-8,53338-06-0,"2-sec-butyl-4,7-dihydro-1,3-dioxepin","2-sec-butyl-4,7-dihydro-1,3-dioxepine",CCC(C)C1OCC=CCO1,CCC(C)C1OCC=CCO1,"InChI=1/C9H16O2/c1-3-8(2)9-10-6-4-5-7-11-9/h4-5,8-9H,3,6-7H2,1-2H3",C10H18O2,,,,,,OAQMKUPQHWANQM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.155,258-489-3,53340-16-2,5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium perchlorate,5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium perchlorate,CCN(CC)c1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1.[O-]Cl(=O)(=O)=O,CCN(CC)c1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1.[O-]Cl(=O)(=O)=O,"InChI=1/C20H20N3O.ClHO4/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;2-1(3,4)5/h5-12H,3-4,21H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",C20H20N3O.ClO4,,,,,,PXAWBBITGJLNFP-UHFFFAOYSA-M,,,,,,,,,,,
100.053.157,258-491-4,53350-33-7,"3,4-dihydro-2,2,4-trimethyl-2H-quinoline-1-ethanol","2-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethanol",CC1CC(C)(C)N(CCO)c2ccccc12,CC1CC(C)(C)N(CCO)c2ccccc12,"InChI=1/C14H21NO/c1-11-10-14(2,3)15(8-9-16)13-7-5-4-6-12(11)13/h4-7,11,16H,8-10H2,1-3H3",C14H21NO,,,,,,UTQYEARNAQZWGU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.159,258-494-0,53360-86-4,"a-[[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzyl alcohol","2-(4,5-dihydro-1H-imidazol-2-ylamino)-1-phenylethanol",OC(CNC1=NCCN1)c2ccccc2,OC(CNC1=NCCN1)c2ccccc2,"InChI=1/C11H15N3O/c15-10(9-4-2-1-3-5-9)8-14-11-12-6-7-13-11/h1-5,10,15H,6-8H2,(H2,12,13,14)",C11H15N3O,,,,,,LLVCMHDFMXAXMV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.077,278-208-8,75437-13-7,"3,3-diphenyl-N-(4-pyridyl)propionamide","3,3-diphenyl-N-pyridin-4-ylpropanamide",O=C(CC(c1ccccc1)c2ccccc2)Nc3ccncc3,O=C(CC(c1ccccc1)c2ccccc2)Nc3ccncc3,"InChI=1/C20H18N2O/c23-20(22-18-11-13-21-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19H,15H2,(H,21,22,23)",C20H18N2O,,,,,,MMUDOIKJYLLJRY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.079,278-210-9,75444-31-4,Dodecyl 5-oxo-DL-prolinate,dodecyl 5-oxo-L-prolinate,CCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-17(20)15-12-13-16(19)18-15/h15H,2-14H2,1H3,(H,18,19)",C17H31NO3,,,,,,HJXPPCPJEYUQFQ-HNNXBMFYSA-N,,,,,,,,,,,
100.071.083,278-215-6,75458-20-7,1-chloro-1-methylcyclododecane,1-chloro-1-methylcyclododecane,CC1(Cl)CCCCCCCCCCC1,CC1(Cl)CCCCCCCCCCC1,"InChI=1/C13H25Cl/c1-13(14)11-9-7-5-3-2-4-6-8-10-12-13/h2-12H2,1H3",C13H25Cl,,,,,,DSJJQDXJAMVJGI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.086,278-218-2,75476-93-6,"7-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxynaphthalene-1-sulphonic acid","3-hydroxy-7-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-1-sulfonic acid",CC1=NN(C(=O)C1)c2ccc3cc(O)cc(c3c2)S(=O)(=O)O,CC1=NN(C(=O)C1)c2ccc3cc(O)cc(c3c2)S(=O)(=O)O,"InChI=1/C14H12N2O5S/c1-8-4-14(18)16(15-8)10-3-2-9-5-11(17)7-13(12(9)6-10)22(19,20)21/h2-3,5-7,17H,4H2,1H3,(H,19,20,21)",C14H12N2O5S,,,,,,GZMUIZGBSSTJPC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.102,278-236-0,75522-94-0,"Benzoic acid, 2-[[2-amino-5-hydroxy-6-[[4'-[[1-hydroxy-8-[[(4-methylphenyl)sulfonyl]amino]-3,6-disulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-7-sulfo-1-naphthalenyl]azo]-5-nitro-, trisodium salt","trisodium 2-{[2-amino-5-hydroxy-6-({4'-[(1-hydroxy-8-{[(4-methylphenyl)sulfonyl]amino}-3,6-disulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-7-sulfo-1-naphthyl]diazenyl}-5-nitrobenzoate",[Na+].[Na+].[Na+].[O-][N+](=O)c8ccc(N=Nc6c7cc(c(N=Nc1ccc(cc1OC)c5cc(OC)c(N=Nc4c(cc3cc(cc(NS(=O)(=O)c2ccc(C)cc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c(O)c7ccc6N)S(O)(=O)=O)c(c8)C([O-])=O,[Na+].[Na+].[Na+].[O-][N+](=O)c8ccc(N=Nc6c7cc(c(N=Nc1ccc(cc1OC)c5cc(OC)c(N=Nc4c(cc3cc(cc(NS(=O)(=O)c2ccc(C)cc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c(O)c7ccc6N)S(O)(=O)=O)c(c8)C([O-])=O,"InChI=1/C48H37N9O19S4.3Na/c1-23-4-9-28(10-5-23)77(64,65)56-37-21-29(78(66,67)68)16-26-19-40(79(69,70)71)45(47(59)42(26)37)55-52-36-14-7-25(18-39(36)76-3)24-6-13-35(38(17-24)75-2)51-54-44-41(80(72,73)74)22-31-30(46(44)58)11-12-33(49)43(31)53-50-34-15-8-27(57(62)63)20-32(34)48(60)61;;;/h4-22,56,58-59H,49H2,1-3H3,(H,60,61)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3",C48H37N9O19S4.3Na,,,,,,XFVPMHVERUTKNQ-UHFFFAOYSA-K,,,,,,,,,,,
100.071.110,278-244-4,75531-55-4,"10-ethoxy-1,5,10-trimethylcyclododecadiene","10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene",CCOC1(C)CCCCC(C)\\C=C/C=C(\\C)/CC1,CCOC1(C)CCCCC(C)\C=C/C=C(\C)/CC1,"InChI=1/C17H30O/c1-5-18-17(4)13-7-6-9-15(2)10-8-11-16(3)12-14-17/h8,10-11,15H,5-7,9,12-14H2,1-4H3",C17H30O,,,,,,IRLFTWWAUJGKFF-VBYFNHOWSA-N,,,,,,,,,,,
100.071.111,278-246-5,75532-27-3,L-arginine mono[3-(1H-imidazol-4-yl)acrylate],3-(1H-imidazol-4-yl)acrylic acid - L-arginine (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)\\C=C\\c1c[nH]cn1,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)\C=C\c1c[nH]cn1,"InChI=1/C6H14N4O2.C6H6N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;9-6(10)2-1-5-3-7-4-8-5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-4H,(H,7,8)(H,9,10)",C6H14N4O2.C6H6N2O2,,,,,,HRWWEENNZNMMPS-MGVJIHIJSA-N,,,,,,,,,,,
100.071.112,278-247-0,75535-12-5,"N,N'-bis(dimethylphenyl)guanidine","1,3-bis(2,3-dimethylphenyl)guanidine",Cc1cccc(NC(=N)Nc2cccc(C)c2C)c1C,Cc1cccc(NC(=N)Nc2cccc(C)c2C)c1C,"InChI=1/C17H21N3/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3,(H3,18,19,20)",C17H21N3,,,,,,SQDYIZWEQGMDFO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.666,251-348-7,33025-12-6,"7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methyl-4-sulphophenyl)azo]naphthalene-2-sulphonic] acid",4-hydroxy-7-[({5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c6ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4C)S(O)(=O)=O)c5O)S(O)(=O)=O)S(O)(=O)=O)c(C)c6,OS(=O)(=O)c6ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4C)S(O)(=O)=O)c5O)S(O)(=O)=O)S(O)(=O)=O)c(C)c6,"InChI=1/C35H28N6O15S4/c1-17-11-23(57(45,46)47)5-9-27(17)38-40-31-29(59(51,52)53)15-19-13-21(3-7-25(19)33(31)42)36-35(44)37-22-4-8-26-20(14-22)16-30(60(54,55)56)32(34(26)43)41-39-28-10-6-24(12-18(28)2)58(48,49)50/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)",C35H28N6O15S4,,,,,,SWVFFYFFEMGNNS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.685,251-369-1,33078-43-2,"2,2,5,5-tetramethylthiazolidine-4-carboxylic acid hydrochloride","2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid hydrochloride",Cl.CC1(C)NC(C(=O)O)C(C)(C)S1,Cl.CC1(C)NC(C(=O)O)C(C)(C)S1,"InChI=1/C8H15NO2S.ClH/c1-7(2)5(6(10)11)9-8(3,4)12-7;/h5,9H,1-4H3,(H,10,11);1H",C8H15NO2S.ClH,,,,,,YNSAPAAAKBYKQC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.453,277-521-7,73513-98-1,"Disodium 5-[[4-[[4-[(2,8-dihydroxy-6-sulphonatonaphthyl)azo]-o-tolyl]methyl]phenyl]azo]-4,6-dihydroxynaphthalene-2-sulphonate","disodium 5-[(4-{4-[(2,8-dihydroxy-6-sulfonato-1-naphthyl)diazenyl]benzyl}-3-methylphenyl)diazenyl]-4,6-dihydroxynaphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(O)c6N=Nc2ccc(cc2)Cc3ccc(cc3C)N=Nc4c5c(ccc4O)cc(cc5O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(O)c6N=Nc2ccc(cc2)Cc3ccc(cc3C)N=Nc4c5c(ccc4O)cc(cc5O)S([O-])(=O)=O,"InChI=1/C34H26N4O10S2.2Na/c1-18-12-24(36-38-34-28(40)11-6-22-15-26(50(46,47)48)17-30(42)32(22)34)9-4-20(18)13-19-2-7-23(8-3-19)35-37-33-27(39)10-5-21-14-25(49(43,44)45)16-29(41)31(21)33;;/h2-12,14-17,39-42H,13H2,1H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C34H26N4O10S2.2Na,,,,,,VJBOSXWKFRKRJA-UHFFFAOYSA-L,,,,,,,,,,,
100.070.458,277-526-4,73526-35-9,"1,1,3,3-tetramethyl-6-(1,1,3,3-tetramethylbutyl)indan-5-ol","1,1,3,3-tetramethyl-6-(1,1,3,3-tetramethylbutyl)indan-5-ol",CC(C)(C)CC(C)(C)c1cc2c(cc1O)C(C)(C)CC2(C)C,CC(C)(C)CC(C)(C)c1cc2c(cc1O)C(C)(C)CC2(C)C,"InChI=1/C21H34O/c1-18(2,3)12-19(4,5)16-10-14-15(11-17(16)22)21(8,9)13-20(14,6)7/h10-11,22H,12-13H2,1-9H3",C21H34O,,,,,,UCPLXKGSKHNLFC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.978,259-396-0,54914-98-6,"Trisodium 7-aminonaphthalene-1,3,6-trisulphonate","trisodium 7-aminonaphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].Nc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO9S3.3Na/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3",C10H9NO9S3.3Na,,,,,,JNVDPZMCBPFWKR-UHFFFAOYSA-K,,,,,,,,,,,
100.053.980,259-398-1,54925-64-3,1-(tert-butyldimethylsilyl)-1H-imidazole,1-[tert-butyl(dimethyl)silyl]-1H-imidazole,CC(C)(C)[Si](C)(C)n1ccnc1,CC(C)(C)[Si](C)(C)n1ccnc1,"InChI=1/C9H18N2Si/c1-9(2,3)12(4,5)11-7-6-10-8-11/h6-8H,1-5H3",C9H18N2Si,,,,,,VUENSYJCBOSTCS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.127,254-058-9,38646-68-3,"4,4-dimethylpiperidinium chloride","4,4-dimethylpiperidinium chloride",[Cl-].CC1(C)CC[NH2+]CC1,[Cl-].CC1(C)CC[NH2+]CC1,"InChI=1/C7H15N.ClH/c1-7(2)3-5-8-6-4-7;/h8H,3-6H2,1-2H3;1H",C7H15N.ClH,,,,,,HQQCRVHZMQHQOA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.129,254-061-5,38649-18-2,"(±)-(1a,2ß,5a)-2-(isopropyl)-5-methylcyclohexyl benzoate",2-isopropyl-5-methylcyclohexyl benzoate,CC(C)C1CCC(C)CC1OC(=O)c2ccccc2,CC(C)C1CCC(C)CC1OC(=O)c2ccccc2,"InChI=1/C17H24O2/c1-12(2)15-10-9-13(3)11-16(15)19-17(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3",C17H24O2,,,,,,TTYVYRHNIVBWCB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.134,254-066-2,38660-35-4,"3',6'-bis(diethylamino)-2-phenylspiro[1H-isoindole-1,9'-[9H]xanthene]-3(2H)-one","3',6'-bis(diethylamino)-2-phenylspiro[isoindole-1,9'-xanthen]-3(2H)-one",CCN(CC)c1ccc2c(Oc3cc(ccc3C24N(C(=O)c5ccccc45)c6ccccc6)N(CC)CC)c1,CCN(CC)c1ccc2c(Oc3cc(ccc3C24N(C(=O)c5ccccc45)c6ccccc6)N(CC)CC)c1,"InChI=1/C34H35N3O2/c1-5-35(6-2)25-18-20-29-31(22-25)39-32-23-26(36(7-3)8-4)19-21-30(32)34(29)28-17-13-12-16-27(28)33(38)37(34)24-14-10-9-11-15-24/h9-23H,5-8H2,1-4H3",C34H35N3O2,,,,,,IMYNRKANUSOMGU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.135,254-067-8,38660-41-2,"3-ethyl-5-[(1-ethyl-1,4-dihydro-4-methyl-5H-tetrazol-5-ylidene)ethylidene]-2-thioxooxazolidin-4-one","3-ethyl-5-[2-(1-ethyl-4-methyl-1,4-dihydro-5H-tetrazol-5-ylidene)ethylidene]-2-thioxo-1,3-oxazolidin-4-one",O=C2C(=CC=C1N(C)/N=N\\N1CC)OC(=S)N2CC,O=C2C(=CC=C1N(C)/N=N\N1CC)OC(=S)N2CC,"InChI=1/C11H15N5O2S/c1-4-15-10(17)8(18-11(15)19)6-7-9-14(3)12-13-16(9)5-2/h6-7H,4-5H2,1-3H3",C11H15N5O2S,,,,,,XUVITLRDQDBSSE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.140,254-073-0,38665-30-4,(Z)-N-(1-oxooctadec-9-en-1-yl)-DL-methionine,N-oleoyl-L-methionine,CCCCCCCC\\C=C/CCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C23H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)(H,26,27)",C23H43NO3S,,,,,,ATFITIQQSWCPIQ-XPTLAUCJSA-N,,,,,,,,,,,
100.049.415,254-376-8,39250-26-5,"Aluminium(3+) 2-[(2,3-dimethylphenyl)amino]benzoate","aluminum tris{2-[(2,3-dimethylphenyl)amino]benzoate}",[Al+3].Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc3cccc(Nc4ccccc4C(=O)[O-])c3C.Cc5cccc(Nc6ccccc6C(=O)[O-])c5C,[Al+3].Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc3cccc(Nc4ccccc4C(=O)[O-])c3C.Cc5cccc(Nc6ccccc6C(=O)[O-])c5C,"InChI=1/3C15H15NO2.Al/c3*1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;/h3*3-9,16H,1-2H3,(H,17,18);/q;;;+3/p-3",C15H15NO2.1/3Al,,,,,,SQKMCUVJZBDQDL-UHFFFAOYSA-K,,,,,,,,,,,
100.049.418,254-379-4,39251-97-3,2-methoxyphenyl 2-furoate,2-methoxyphenyl 2-furoate,COc1ccccc1OC(=O)c2occc2,COc1ccccc1OC(=O)c2occc2,"InChI=1/C12H10O4/c1-14-9-5-2-3-6-10(9)16-12(13)11-7-4-8-15-11/h2-8H,1H3",C12H10O4,,,,,,HNPMEKZRDNZDNF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.423,254-385-7,39258-30-5,2-methylbenzo[f]quinoline,2-methylbenzo[f]quinoline,Cc1cnc2ccc3ccccc3c2c1,Cc1cnc2ccc3ccccc3c2c1,"InChI=1/C14H11N/c1-10-8-13-12-5-3-2-4-11(12)6-7-14(13)15-9-10/h2-9H,1H3",C14H11N,,,,,,GDYIXQSZWGQBMB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.431,254-394-6,39268-96-7,"7,11-dimethyldodec-10-en-3-one","7,11-dimethyldodec-10-en-3-one",CCC(=O)CCCC(C)CCC=C(C)C,CCC(=O)CCCC(C)CCC=C(C)C,"InChI=1/C14H26O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3",C14H26O,,,,,,BHIKFSYWWLGMRR-UHFFFAOYSA-N,,,,,,,,,,,
100.049.433,254-396-7,39270-39-8,"2,3-dihydro-1,4-benzodioxin-6-methanol","2,3-dihydro-1,4-benzodioxin-6-ylmethanol",OCc1ccc2OCCOc2c1,OCc1ccc2OCCOc2c1,"InChI=1/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2",C9H10O3,,,,,,FFLHNBGNAWYMRH-UHFFFAOYSA-N,,,,,,,,,,,
100.051.586,256-764-2,50789-43-0,Methyl 3-phenoxybenzoate,methyl 3-phenoxybenzoate,COC(=O)c1cccc(Oc2ccccc2)c1,COC(=O)c1cccc(Oc2ccccc2)c1,"InChI=1/C14H12O3/c1-16-14(15)11-6-5-9-13(10-11)17-12-7-3-2-4-8-12/h2-10H,1H3",C14H12O3,,,,,,GWNMDCSPTJONPD-UHFFFAOYSA-N,,,,,,,,,,,
100.051.588,256-766-3,50791-87-2,"N,N'-(vinylsilylene)bis(N-methylacetamide)","N,N'-(vinylsilanediyl)bis(N-methylacetamide)",CN([SiH](C=C)N(C)C(=O)C)C(=O)C,CN([SiH](C=C)N(C)C(=O)C)C(=O)C,"InChI=1/C8H16N2O2Si/c1-6-13(9(4)7(2)11)10(5)8(3)12/h6,13H,1H2,2-5H3",C9H18N2O2Si,,,,,,YPZUHVDXMKXYNT-UHFFFAOYSA-N,,,,,,,,,,,
100.051.591,256-770-5,50795-24-9,Sodium hydrogen oxydi(acetate),"hydrogen sodium 2,2'-oxydiacetate",[Na+].[O-]C(=O)COCC(=O)[O-],[Na+].[O-]C(=O)COCC(=O)[O-],"InChI=1/C4H6O5.Na/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-2",C4H6O5.Na,,,,,,WESJBTCFPDPYGH-UHFFFAOYSA-L,,,,,,,,,,,
100.051.607,256-787-8,50816-31-4,Diethylurea,"1,1-diethylurea",CCN(CC)C(=O)N,CCN(CC)C(=O)N,"InChI=1/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)",C5H12N2O,,,,,,TUMNHQRORINJKE-UHFFFAOYSA-N,,,,,,,,,,,
100.051.608,256-788-3,50817-72-6,"4-chloro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione","4-chloro-1H,3H-benzo[de]isochromene-1,3-dione",Clc1ccc2cccc3C(=O)OC(=O)c1c23,Clc1ccc2cccc3C(=O)OC(=O)c1c23,InChI=1/C12H5ClO3/c13-8-5-4-6-2-1-3-7-9(6)10(8)12(15)16-11(7)14/h1-5H,C12H5ClO3,,,,,,ORYGDXAYCHIBLC-UHFFFAOYSA-N,,,,,,,,,,,
100.051.611,256-792-5,50838-36-3,Tolciclate,"O-(1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl) methyl(3-methylphenyl)thiocarbamate",CN(C(=S)Oc1ccc2C3CCC(C3)c2c1)c4cccc(C)c4,CN(C(=S)Oc1ccc2C3CCC(C3)c2c1)c4cccc(C)c4,"InChI=1/C20H21NOS/c1-13-4-3-5-16(10-13)21(2)20(23)22-17-8-9-18-14-6-7-15(11-14)19(18)12-17/h3-5,8-10,12,14-15H,6-7,11H2,1-2H3",C20H21NOS,,,,,,CANCCLAKQQHLNK-UHFFFAOYSA-N,,,,,,,,,,,
100.051.623,256-804-9,50852-54-5,(methylphenoxy)toluenesulphonic acid,2-methyl-6-(2-methylphenoxy)benzenesulfonic acid,Cc1ccccc1Oc2cccc(C)c2S(=O)(=O)O,Cc1ccccc1Oc2cccc(C)c2S(=O)(=O)O,"InChI=1/C14H14O4S/c1-10-6-3-4-8-12(10)18-13-9-5-7-11(2)14(13)19(15,16)17/h3-9H,1-2H3,(H,15,16,17)",C14H14O4S,,,,,,QMHIWMQZSCWVCR-UHFFFAOYSA-N,,,,,,,,,,,
100.054.129,259-562-2,55281-23-7,4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulphonamide,4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide,CN(CCO)S(=O)(=O)c1ccc(Cl)cc1,CN(CCO)S(=O)(=O)c1ccc(Cl)cc1,"InChI=1/C9H12ClNO3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7H2,1H3",C9H12ClNO3S,,,,,,UTTIOMLIJLVTII-UHFFFAOYSA-N,,,,,,,,,,,
100.053.635,259-017-9,54181-64-5,Sodium nonylphenolate,sodium 2-nonylphenolate,[Na+].CCCCCCCCCc1ccccc1[O-],[Na+].CCCCCCCCCc1ccccc1[O-],"InChI=1/C15H24O.Na/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1",C15H24O.Na,,,,,,LGORLCOUTMVEAC-UHFFFAOYSA-M,,,,,,,,,,,
100.053.643,259-026-8,54208-63-8,"2,2'-[methylenebis(o-phenyleneoxymethylene)]bisoxirane","2,2'-[methylenebis(2,1-phenyleneoxymethylene)]dioxirane",C(Oc1ccccc1Cc2ccccc2OCC3CO3)C4CO4,C(Oc1ccccc1Cc2ccccc2OCC3CO3)C4CO4,"InChI=1/C19H20O4/c1-3-7-18(22-12-16-10-20-16)14(5-1)9-15-6-2-4-8-19(15)23-13-17-11-21-17/h1-8,16-17H,9-13H2",C19H20O4,,,,,,FIJSKXFJFGTBRV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.650,259-034-1,54230-59-0,"Mesityl 1,2,4-triazole-1-sulphonate","mesityl 1H-1,2,4-triazole-1-sulfonate",Cc1cc(C)c(OS(=O)(=O)n2cncn2)c(C)c1,Cc1cc(C)c(OS(=O)(=O)n2cncn2)c(C)c1,"InChI=1/C11H13N3O3S/c1-8-4-9(2)11(10(3)5-8)17-18(15,16)14-7-12-6-13-14/h4-7H,1-3H3",C11H13N3O2S,,,,,,FRTNEJMDKVCSMU-UHFFFAOYSA-N,,,,,,,,,,,
100.053.652,259-036-2,54234-59-2,"(3,4-dihydroxyphenyl)acetyl chloride","(3,4-dihydroxyphenyl)acetyl chloride",Oc1ccc(CC(=O)Cl)cc1O,Oc1ccc(CC(=O)Cl)cc1O,"InChI=1/C8H7ClO3/c9-8(12)4-5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2",C8H7ClO3,,,,,,BUEXVFFGVMTYSY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.385,281-850-1,84041-69-0,Manganese 4-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,manganese(2+) 4-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Mn].Cc3cc(/N=N/c1c2ccccc2cc(C(O)=O)c1O)c(cc3Cl)S(O)(=O)=O,[Mn].Cc3cc(/N=N/c1c2ccccc2cc(C(O)=O)c1O)c(cc3Cl)S(O)(=O)=O,"InChI=1/C18H13ClN2O6S.Mn/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2",C18H13ClN2O6S.xMn,,,,,,YUFVFYARRDKOBR-ANVLNOONSA-N,,,,,,,,,,,
100.074.387,281-852-2,84041-72-5,"4-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethoxy]-N,N,N-trimethylanilinium methyl sulphate","4-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethoxy}-N,N,N-trimethylanilinium methyl sulfate",Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CCOc2ccc(cc2)[N+](C)(C)C)[N+]([O-])=O.[O-]S(=O)(=O)OC,Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CCOc2ccc(cc2)[N+](C)(C)C)[N+]([O-])=O.[O-]S(=O)(=O)OC,"InChI=1/C25H29ClN5O3.CH4O4S/c1-5-29(16-17-34-23-13-11-22(12-14-23)31(2,3)4)20-8-6-19(7-9-20)27-28-25-15-10-21(30(32)33)18-24(25)26;1-5-6(2,3)4/h6-15,18H,5,16-17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C25H29ClN5O3.CH3O4S,,,,,,SAQVOAATGIPCMV-UHFFFAOYSA-M,,,,,,,,,,,
100.046.693,251-378-0,33095-94-2,"1-(1,3-benzodioxol-5-yl)-1-isopropylurea","1-(1,3-benzodioxol-5-yl)-1-isopropylurea",CC(C)N(C(=O)N)c1ccc2OCOc2c1,CC(C)N(C(=O)N)c1ccc2OCOc2c1,"InChI=1/C11H14N2O3/c1-7(2)13(11(12)14)8-3-4-9-10(5-8)16-6-15-9/h3-5,7H,6H2,1-2H3,(H2,12,14)",C11H14N2O3,,,,,,CHOBLILHXVGGLT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.696,251-381-7,33113-08-5,"Carbonic acid, ammonium copper salt",ammonium copper(1+) carbonate,[NH4+].[Cu+].[O-]C(=O)[O-],[NH4+].[Cu+].[O-]C(=O)[O-],"InChI=1/CH2O3.Cu.H3N/c2-1(3)4;;/h(H2,2,3,4);;1H3/q;+1;/p-1",CH2O3.xCu.xH3N,,,,,,OEGYSQBMPQCZML-UHFFFAOYSA-M,,,,,,,,,,,
100.046.706,251-392-7,33144-12-6,"4,6-dinitromesitylene-2-sulphonic acid","2,4,6-trimethyl-3,5-dinitrobenzenesulfonic acid",Cc1c(c(C)c(c(C)c1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-],Cc1c(c(C)c(c(C)c1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C9H10N2O7S/c1-4-7(10(12)13)5(2)9(19(16,17)18)6(3)8(4)11(14)15/h1-3H3,(H,16,17,18)",C9H10N2O7S,,,,,,RGNRSPQQRBBORA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.708,251-394-8,33145-10-7,"2,2'-(2-methylpropylidene)bis[4,6-xylenol]","2,2'-(2-methylpropane-1,1-diyl)bis(4,6-dimethylphenol)",CC(C)C(c1cc(C)cc(C)c1O)c2cc(C)cc(C)c2O,CC(C)C(c1cc(C)cc(C)c1O)c2cc(C)cc(C)c2O,"InChI=1/C20H26O2/c1-11(2)18(16-9-12(3)7-14(5)19(16)21)17-10-13(4)8-15(6)20(17)22/h7-11,18,21-22H,1-6H3",C20H26O2,,,,,,SZAQZZKNQILGPU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.709,251-395-3,33155-83-8,"1,7-dihydro-1,7-dimethyl-6H-purin-6-one","1,7-dimethyl-1,7-dihydro-6H-purin-6-one",CN1C=Nc2ncn(C)c2C1=O,CN1C=Nc2ncn(C)c2C1=O,"InChI=1/C7H8N4O/c1-10-3-8-6-5(10)7(12)11(2)4-9-6/h3-4H,1-2H3",C7H8N4O,,,,,,ZIVNUESELYYTHV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.710,251-396-9,33171-14-1,Ethyl L-lysinate monohydrochloride,ethyl L-lysinate hydrochloride,Cl.CCOC(=O)[C@@H](N)CCCCN,Cl.CCOC(=O)[C@@H](N)CCCCN,"InChI=1/C8H18N2O2.ClH/c1-2-12-8(11)7(10)5-3-4-6-9;/h7H,2-6,9-10H2,1H3;1H",C8H18N2O2.ClH,,,,,,SGEJVUZMEHMANQ-FJXQXJEOSA-N,,,,,,,,,,,
100.046.712,251-399-5,33178-97-1,(R)-2-(methylthio)propionic acid,2-(methylsulfanyl)propanoic acid,CS[C@H](C)C(=O)O,CS[C@H](C)C(=O)O,"InChI=1/C4H8O2S/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)",C4H8O2S,,,,,,SBJPKUSFMZKDRZ-GSVOUGTGSA-N,,,,,,,,,,,
100.046.714,251-401-4,33189-72-9,(E)-tetradec-11-enyl acetate,tetradec-11-en-1-yl acetate,CC\\C=C\\CCCCCCCCCCOC(=O)C,CC\C=C\CCCCCCCCCCOC(=O)C,"InChI=1/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3",C16H30O2,,,,,,YJINQJFQLQIYHX-SNAWJCMRSA-N,,,,,,,,,,,
100.046.725,251-414-5,33232-06-3,3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium iodide,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium iodide",[I-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,[I-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,"InChI=1/C12H17N4OS.HI/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1",C12H17N4OS.I,,,,,,OJCWGTRLOGXKRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.726,251-415-0,33237-20-6,"6-(4-pyridyl)-1,3,5-triazine-2,4-diamine","6-pyridin-4-yl-1,3,5-triazine-2,4-diamine",Nc1nc(N)nc(n1)c2ccncc2,Nc1nc(N)nc(n1)c2ccncc2,"InChI=1/C8H8N6/c9-7-12-6(13-8(10)14-7)5-1-3-11-4-2-5/h1-4H,(H4,9,10,12,13,14)",C8H8N6,,,,,,OCBCFXNEEQDQGV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.735,251-425-5,33245-13-5,Methyl a-oxofuran-2-acetate,methyl 2-furyl(oxo)acetate,COC(=O)C(=O)c1occc1,COC(=O)C(=O)c1occc1,"InChI=1/C7H6O4/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4H,1H3",C7H6O4,,,,,,ZHRNRBLRLWDFDH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.462,277-531-1,73545-11-6,7-(4-ethyl-1-methyloctyl)quinolin-8-ol,7-(4-ethyl-1-methyloctyl)quinolin-8-ol,CCCCC(CC)CCC(C)c1ccc2cccnc2c1O,CCCCC(CC)CCC(C)c1ccc2cccnc2c1O,"InChI=1/C20H29NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-16,22H,4-6,8,10-11H2,1-3H3",C20H29NO,,,,,,YWACCMLWVBYNHR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.478,277-548-4,73598-77-3,"1,4-bis[(4-phenoxyphenyl)amino]anthraquinone","1,4-bis[(4-phenoxyphenyl)amino]-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Nc4ccc(Oc5ccccc5)cc4)ccc(Nc6ccc(Oc7ccccc7)cc6)c13,O=C1c2ccccc2C(=O)c3c(Nc4ccc(Oc5ccccc5)cc4)ccc(Nc6ccc(Oc7ccccc7)cc6)c13,"InChI=1/C38H26N2O4/c41-37-31-13-7-8-14-32(31)38(42)36-34(40-26-17-21-30(22-18-26)44-28-11-5-2-6-12-28)24-23-33(35(36)37)39-25-15-19-29(20-16-25)43-27-9-3-1-4-10-27/h1-24,39-40H",C38H26N2O4,,,,,,BANNVGIXDQIHCI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.466,251-129-6,32619-42-4,"2-(3,4-dihydroxyphenyl)ethyl [2S-(2a,3E,4ß)]-3-ethylidene-2-(ß-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate","methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCCc3ccc(O)c(O)c3,COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCCc3ccc(O)c(O)c3,"InChI=1/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3",C25H32O13,,,,,,RFWGABANNQMHMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.470,251-133-8,32634-95-0,"17-hydroxy-6-methylenepregn-4-ene-3,20-dione 17-acetate","6-methylene-3,20-dioxopregn-4-en-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3",C24H32O4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18153,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.470,YCDZXIYKJHQMIG-GQFGMJRRSA-N,,,,,,,,,,,
100.046.473,251-136-4,32647-67-9,Bis-O-(benzylidene)-D-glucitol,"2,8-diphenyltetrahydro[1,3]dioxino[4',5':4,5]furo[3,2-d][1,3]dioxin-4a(4H)-ol (non-preferred name)",O[C@]12COC(O[C@@H]1[C@H]3OC(OC[C@H]3O2)c4ccccc4)c5ccccc5,O[C@]12COC(O[C@@H]1[C@H]3OC(OC[C@H]3O2)c4ccccc4)c5ccccc5,"InChI=1/C20H20O6/c21-20-12-23-19(14-9-5-2-6-10-14)25-17(20)16-15(26-20)11-22-18(24-16)13-7-3-1-4-8-13/h1-10,15-19,21H,11-12H2",C20H22O6,,,,,,DAZRYUTWPPBZOY-WUFCDUEQSA-N,,,,,,,,,,,
100.046.474,251-138-5,32647-68-0,Tri-O-benzylidene-D-glucitol,"1,3,6-tri-O-benzylhexitol",OC(COCc1ccccc1)C(O)C(OCc2ccccc2)C(O)COCc3ccccc3,OC(COCc1ccccc1)C(O)C(OCc2ccccc2)C(O)COCc3ccccc3,"InChI=1/C27H32O6/c28-24(19-31-16-21-10-4-1-5-11-21)26(30)27(33-18-23-14-8-3-9-15-23)25(29)20-32-17-22-12-6-2-7-13-22/h1-15,24-30H,16-20H2",C27H26O6,,,,,,IVMIFASWEKAYOA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.476,251-140-6,32650-55-8,"O,O'-diisopentyl hydrogen dithiophosphate","O,O-bis(3-methylbutyl) hydrogen dithiophosphate",CC(C)CCOP(=S)(S)OCCC(C)C,CC(C)CCOP(=S)(S)OCCC(C)C,"InChI=1/C10H23O2PS2/c1-9(2)5-7-11-13(14,15)12-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15)",C10H23O2PS2,,,,,,MTGAEKMYDSYMMC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.478,251-142-7,32651-66-4,"Tetrasodium 4,4'-bis[[p-[(p-sulphonatophenyl)azo]phenyl]-N,N,O-azoxy]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(4-sulfonatophenyl)diazenyl]phenyl}-NNO-azoxy)benzenesulfonate]",[Na]OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=N(=O)c3ccc(C=Cc4ccc(cc4S(=O)(=O)O[Na])N(=O)=Nc5ccc(cc5)N=Nc6ccc(cc6)S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na],[Na]OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=N(=O)c3ccc(C=Cc4ccc(cc4S(=O)(=O)O[Na])N(=O)=Nc5ccc(cc5)N=Nc6ccc(cc6)S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na],"InChI=1/C38H28N8O14S4.4Na/c47-45(43-31-9-5-27(6-10-31)39-41-29-13-19-35(20-14-29)61(49,50)51)33-17-3-25(37(23-33)63(55,56)57)1-2-26-4-18-34(24-38(26)64(58,59)60)46(48)44-32-11-7-28(8-12-32)40-42-30-15-21-36(22-16-30)62(52,53)54;;;;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/rC38H24N8Na4O14S4/c47-61-65(53,54)35-19-13-29(14-20-35)41-39-27-5-9-31(10-6-27)43-45(51)33-17-3-25(37(23-33)67(57,58)63-49)1-2-26-4-18-34(24-38(26)68(59,60)64-50)46(52)44-32-11-7-28(8-12-32)40-42-30-15-21-36(22-16-30)66(55,56)62-48/h1-24H",C38H28N8O14S4.4Na,,,,,,DPZSZYKUTXQFLL-UHFFFAOYSA-J,,,,,,,,,,,
100.046.482,251-146-9,32665-36-4,Eprozinol,3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-1-ol,COC(CN1CCN(CCC(O)c2ccccc2)CC1)c3ccccc3,COC(CN1CCN(CCC(O)c2ccccc2)CC1)c3ccccc3,"InChI=1/C22H30N2O2/c1-26-22(20-10-6-3-7-11-20)18-24-16-14-23(15-17-24)13-12-21(25)19-8-4-2-5-9-19/h2-11,21-22,25H,12-18H2,1H3",C22H30N2O2,,,,,,QSRHLIUOSXVKTG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.496,251-162-6,32695-20-8,2-chloro-4-(chloromethyl)-1-(1-methylethoxy)benzene,2-chloro-4-(chloromethyl)-1-isopropoxybenzene,CC(C)Oc1ccc(CCl)cc1Cl,CC(C)Oc1ccc(CCl)cc1Cl,"InChI=1/C10H12Cl2O/c1-7(2)13-10-4-3-8(6-11)5-9(10)12/h3-5,7H,6H2,1-2H3",C10H12Cl2O,,,,,,XZECPLIMOPAQFE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.088,283-727-8,84697-17-6,Dibenzyl L-cystinate dihydrochloride,dibenzyl L-cystinate dihydrochloride,Cl.Cl.N[C@@H](CSSC[C@H](N)C(=O)OCc1ccccc1)C(=O)OCc2ccccc2,Cl.Cl.N[C@@H](CSSC[C@H](N)C(=O)OCc1ccccc1)C(=O)OCc2ccccc2,"InChI=1/C20H24N2O4S2.2ClH/c21-17(19(23)25-11-15-7-3-1-4-8-15)13-27-28-14-18(22)20(24)26-12-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14,21-22H2;2*1H",C20H24N2O4S2.2ClH,,,,,,YMPPLNVDCNRQHD-MPGISEFESA-N,,,,,,,,,,,
100.076.089,283-728-3,84697-18-7,Ethyldimethylpropylammonium bromide,"N-ethyl-N,N-dimethylpropan-1-aminium bromide",[Br-].CCC[N+](C)(C)CC,[Br-].CCC[N+](C)(C)CC,"InChI=1/C7H18N.BrH/c1-5-7-8(3,4)6-2;/h5-7H2,1-4H3;1H/q+1;/p-1",C7H18N.Br,,,,,,BSMDPGZLSUDGEK-UHFFFAOYSA-M,,,,,,,,,,,
100.076.090,283-729-9,84697-19-8,"N-[N-[N2,N6-bis[(benzyloxy)carbonyl]-L-lysyl]glycyl]glycine","N~2~,N~6~-bis[(benzyloxy)carbonyl]-L-lysylglycylglycine",OC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,OC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2,"InChI=1/C26H32N4O8/c31-22(28-16-23(32)33)15-29-24(34)21(30-26(36)38-18-20-11-5-2-6-12-20)13-7-8-14-27-25(35)37-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,27,35)(H,28,31)(H,29,34)(H,30,36)(H,32,33)",C26H32N4O8,,,,,,FIHSHUVRQWJTPB-NRFANRHFSA-N,,,,,,,,,,,
100.072.731,280-027-4,82778-08-3,"6-(chloromethyl)pteridine-2,4-diamine monohydrochloride","6-(chloromethyl)pteridine-2,4-diamine hydrochloride",Cl.Nc1nc(N)c2nc(CCl)cnc2n1,Cl.Nc1nc(N)c2nc(CCl)cnc2n1,"InChI=1/C7H7ClN6.ClH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H",C7H7ClN6.ClH,,,,,,SDZKFWPFFHILFI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.735,280-032-1,82799-32-4,Benzyldibutyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,N-benzyl-N-butyl-N-[3-(stearoylamino)propyl]butan-1-aminium chloride,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CCCC)(CCCC)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CCCC)(CCCC)Cc1ccccc1,"InChI=1/C36H66N2O.ClH/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-25-29-36(39)37-30-26-33-38(31-8-5-2,32-9-6-3)34-35-27-23-22-24-28-35;/h22-24,27-28H,4-21,25-26,29-34H2,1-3H3;1H",C36H67N2O.Cl,,,,,,JBLMBJSUGDCHRS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.737,280-034-2,82799-35-7,Dibenzyl[2-[benzyl[2-[benzyl[2-[dibenzylamino]ethyl]amino]ethyl]amino]ethyl]methylammonium methyl sulphate,"N,N-dibenzyl-2-[benzyl(2-{benzyl[2-(dibenzylamino)ethyl]amino}ethyl)amino]-N-methylethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](CCN(CCN(CCN(Cc1ccccc1)Cc2ccccc2)Cc3ccccc3)Cc4ccccc4)(Cc5ccccc5)Cc6ccccc6,COS(=O)(=O)[O-].C[N+](CCN(CCN(CCN(Cc1ccccc1)Cc2ccccc2)Cc3ccccc3)Cc4ccccc4)(Cc5ccccc5)Cc6ccccc6,"InChI=1/C49H57N4.CH4O4S/c1-53(42-48-28-16-6-17-29-48,43-49-30-18-7-19-31-49)37-36-51(39-45-22-10-3-11-23-45)33-32-50(38-44-20-8-2-9-21-44)34-35-52(40-46-24-12-4-13-25-46)41-47-26-14-5-15-27-47;1-5-6(2,3)4/h2-31H,32-43H2,1H3;1H3,(H,2,3,4)/q+1;/p-1",C49H57N4.CH3O4S,,,,,,UCCJGOCHBVBOKR-UHFFFAOYSA-M,,,,,,,,,,,
100.072.741,280-038-4,82799-41-5,"2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl oleate","2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCCN1CC\\N=C1\\CCCCCCCC=CCCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC,"InChI=1/C40H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-36-42(39)37-38-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3",C40H74N2O2,,,,,,RHTUFTVIAUFAFS-FKVHLOHMSA-N,,,,,,,,,,,
100.074.376,281-840-7,84041-60-1,"Benzene-1,2,4-tricarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:1)","benzene-1,2,4-tricarboxylic acid - 4-methyl-2-phenyl-4,5-dihydro-1H-imidazole (1:1)",CC1CNC(=N1)c2ccccc2.OC(=O)c3ccc(C(=O)O)c(c3)C(=O)O,CC1CNC(=N1)c2ccccc2.OC(=O)c3ccc(C(=O)O)c(c3)C(=O)O,"InChI=1/C10H12N2.C9H6O6/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h2-6,8H,7H2,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13)(H,14,15)",C10H12N2.C9H6O6,,,,,,XSCWGSPTZHNCAH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.378,281-842-8,84041-62-3,"Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:1)","benzene-1,2,4,5-tetracarboxylic acid - 4-methyl-2-phenyl-4,5-dihydro-1H-imidazole (1:1)",CC1CNC(=N1)c2ccccc2.OC(=O)c3cc(C(=O)O)c(cc3C(=O)O)C(=O)O,CC1CNC(=N1)c2ccccc2.OC(=O)c3cc(C(=O)O)c(cc3C(=O)O)C(=O)O,"InChI=1/C10H12N2.C10H6O8/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h2-6,8H,7H2,1H3,(H,11,12);1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",C10H12N2.C10H6O8,,,,,,OLOHITWKWPLFGN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.379,281-843-3,84041-63-4,"Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:2)","benzene-1,2,4,5-tetracarboxylic acid - 4-methyl-2-phenyl-4,5-dihydro-1H-imidazole (1:2)",CC1CNC(=N1)c2ccccc2.CC3CNC(=N3)c4ccccc4.OC(=O)c5cc(C(=O)O)c(cc5C(=O)O)C(=O)O,CC1CNC(=N1)c2ccccc2.CC3CNC(=N3)c4ccccc4.OC(=O)c5cc(C(=O)O)c(cc5C(=O)O)C(=O)O,"InChI=1/2C10H12N2.C10H6O8/c2*1-8-7-11-10(12-8)9-5-3-2-4-6-9;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h2*2-6,8H,7H2,1H3,(H,11,12);1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",C10H12N2.1/2C10H6O8,,,,,,TVUGXTMTWUPUGI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.388,281-853-8,84041-73-6,1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydrogen sulphate,1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium hydrogen sulfate,[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H21ClN5O2.H2O4S.H2/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;1-5(2,3)4;/h3-13,16H,2,14-15H2,1H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C21H21ClN5O2.HO4S,,,,,,HWKSNRUECROBAR-UHFFFAOYSA-M,,,,,,,,,,,
100.074.389,281-854-3,84041-75-8,"4-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethoxy]-N,N,N-trimethylanilinium methyl sulphate","4-{2-[(4-{[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl)(ethyl)amino]ethoxy}-N,N,N-trimethylanilinium methyl sulfate",Clc3cc(c(Cl)cc3N=Nc1ccc(cc1)N(CC)CCOc2ccc(cc2)[N+](C)(C)C)S(=O)(=O)N(C)C.[O-]S(=O)(=O)OC,Clc3cc(c(Cl)cc3N=Nc1ccc(cc1)N(CC)CCOc2ccc(cc2)[N+](C)(C)C)S(=O)(=O)N(C)C.[O-]S(=O)(=O)OC,"InChI=1/C27H34Cl2N5O3S.CH4O4S/c1-7-33(16-17-37-23-14-12-22(13-15-23)34(4,5)6)21-10-8-20(9-11-21)30-31-26-18-25(29)27(19-24(26)28)38(35,36)32(2)3;1-5-6(2,3)4/h8-15,18-19H,7,16-17H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1",C27H34Cl2N5O3S.CH3O4S,,,,,,SLCTXUWHENDUNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.391,281-856-4,84041-77-0,"2,2'-[(2-nitro-1,4-phenylene)diimino]bisethanol","2,2'-[(2-nitro-1,4-phenylene)diimino]diethanol",OCCNc1ccc(NCCO)c(c1)[N+](=O)[O-],OCCNc1ccc(NCCO)c(c1)[N+](=O)[O-],"InChI=1/C10H15N3O4/c14-5-3-11-8-1-2-9(12-4-6-15)10(7-8)13(16)17/h1-2,7,11-12,14-15H,3-6H2",C10H15N3O4,,,,,,HWQZRURILVPDGN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.656,259-040-4,54243-60-6,1-amino-4-hydroxy-2-(4-methoxyphenoxy)anthraquinone,"1-amino-4-hydroxy-2-(4-methoxyphenoxy)-9,10-anthraquinone",COc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,COc1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C21H15NO5/c1-26-11-6-8-12(9-7-11)27-16-10-15(23)17-18(19(16)22)21(25)14-5-3-2-4-13(14)20(17)24/h2-10,23H,22H2,1H3",C21H15NO5,,,,,,BGIJPDMVGSTDDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.657,259-042-5,54243-74-2,"5-oxo-L-proline, compound with 2-aminoethanol (1:1)",5-oxo-L-proline - 2-aminoethanol (1:1),NCCO.OC(=O)[C@@H]1CCC(=O)N1,NCCO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C2H7NO/c7-4-2-1-3(6-4)5(8)9;3-1-2-4/h3H,1-2H2,(H,6,7)(H,8,9);4H,1-3H2",C5H7NO3.C2H7NO,,,,,,VLVJUQKAEMWMGP-DFWYDOINSA-N,,,,,,,,,,,
100.053.658,259-043-0,54245-33-9,3-bromonaphthalen-2-amine,3-bromonaphthalen-2-amine,Nc1cc2ccccc2cc1Br,Nc1cc2ccccc2cc1Br,"InChI=1/C10H8BrN/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,12H2",C10H8BrN,,,,,,XMDCYZRDFRTBQH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.660,259-045-1,54256-33-6,"(R)-5-phenyl-1,3-dioxolane-2,4-dione","5-phenyl-1,3-dioxolane-2,4-dione",O=C1O[C@@H](C(=O)O1)c2ccccc2,O=C1O[C@@H](C(=O)O1)c2ccccc2,"InChI=1/C9H6O4/c10-8-7(12-9(11)13-8)6-4-2-1-3-5-6/h1-5,7H",C9H6O4,,,,,,CEJWBKYULAPCRN-SSDOTTSWSA-N,,,,,,,,,,,
100.053.665,259-050-9,54266-38-5,(2-hydroxyethyl)ammonium 2-mercaptopropionate,2-hydroxyethanaminium 2-sulfanylpropanoate,CC(S)C(=O)[O-].[NH3+]CCO,CC(S)C(=O)[O-].[NH3+]CCO,"InChI=1/C3H6O2S.C2H7NO/c1-2(6)3(4)5;3-1-2-4/h2,6H,1H3,(H,4,5);4H,1-3H2",C3H6O2S.C2H7NO,,,,,,KNRGNPYMOIKFMS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.667,259-053-5,54267-12-8,Bis(methylsulphinyl)methane,bis(methylsulfinyl)methane,CS(=O)CS(=O)C,CS(=O)CS(=O)C,"InChI=1/C3H8O2S2/c1-6(4)3-7(2)5/h3H2,1-2H3",C3H8O2S2,,,,,,QYLZSLZHCNXMPV-UHFFFAOYSA-N,,,,,,,,,,,
100.048.226,253-065-4,36499-56-6,"Tetrasodium ethane-1,1,2,2-tetracarboxylate","tetrasodium ethane-1,1,2,2-tetracarboxylate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(C(C(=O)[O-])C(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(C(C(=O)[O-])C(=O)[O-])C(=O)[O-],"InChI=1/C6H6O8.4Na/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;;;;/h1-2H,(H,7,8)(H,9,10)(H,11,12)(H,13,14);;;;/q;4*+1/p-4",C6H6O8.4Na,,,,,,DVWOQWYTAACVCO-UHFFFAOYSA-J,,,,,,,,,,,
100.048.234,253-074-3,36507-48-9,1-(tert-butylamino)-3-(o-cyclopentylphenoxy)propan-2-ol,1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol,CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,"InChI=1/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3",C18H29NO2,,,,,,KQXKVJAGOJTNJS-UHFFFAOYSA-N,,,,,,,,,,,
100.048.241,253-082-7,36518-59-9,"1,2-dihydropyridazine-3,6-dione, compound with diethylamine (1:1)","1,2-dihydropyridazine-3,6-dione - N-ethylethanamine (1:1)",CCNCC.O=C1NNC(=O)C=C1,CCNCC.O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2.C4H11N/c7-3-1-2-4(8)6-5-3;1-3-5-4-2/h1-2H,(H,5,7)(H,6,8);5H,3-4H2,1-2H3",C4H11N.C4H4N2O2,,,,,,KAZGUEXLRUBBOH-UHFFFAOYSA-N,,,,,,,,,,,
100.048.243,253-084-8,36521-89-8,"Sorbitan, dioctadecanoate","1,4-anhydro-3,5-di-O-stearoylhexitol",CCCCCCCCCCCCCCCCCC(=O)OC(CO)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC(CO)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)48-38(35-43)42-41(37(44)36-47-42)49-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44H,3-36H2,1-2H3",C42H80O7,,,,,,CFSBKZAGHNEMSD-UHFFFAOYSA-N,,,,,,,,,,,
100.048.248,253-090-0,36530-24-2,Diammonium hexabromoiridate,diammonium hexabromoiridate(2-),[NH4+].[NH4+].Br[Ir-2](Br)(Br)(Br)(Br)Br,[NH4+].[NH4+].Br[Ir-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.Ir.2H3N/h6*1H;;2*1H3/q;;;;;;+4;;/p-4/rBr6Ir.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",Br6Ir.2H4N,,,,,,ICAUFOUTHLMJCB-UHFFFAOYSA-J,,,,,,,,,,,
100.049.758,254-753-7,40021-31-6,1-aminothioxanthen-9-one,1-amino-9H-thioxanthen-9-one,Nc1cccc2Sc3ccccc3C(=O)c12,Nc1cccc2Sc3ccccc3C(=O)c12,"InChI=1/C13H9NOS/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H,14H2",C13H9NOS,,,,,,ZSSOUAIRYPTMIN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.436,254-399-3,39282-36-5,Undecanolactone,oxacyclododecan-2-one,O=C1CCCCCCCCCCO1,O=C1CCCCCCCCCCO1,InChI=1/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2,C11H20O2,,,,,,MVOSYKNQRRHGKX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.443,254-407-5,39297-24-0,Tristrontium diarsenide,tristrontium diarsenide,[Sr+2].[Sr+2].[Sr+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],[Sr+2].[Sr+2].[Sr+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-],"InChI=1/6As2H3.3Sr/c6*1-2;;;/h6*1H,2H2;;;/q6*-1;3*+2",As2Sr3,,,,,,LUAILQHGMOCNKH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.444,254-408-0,39300-45-3,Dinocap,"2-(1-methylheptyl)-4,6-dinitrophenyl but-2-enoate",O=C(Oc1c(cc(cc1C(C)CCCCCC)[N+]([O-])=O)[N+]([O-])=O)C=CC,O=C(Oc1c(cc(cc1C(C)CCCCCC)[N+]([O-])=O)[N+]([O-])=O)C=CC,"InChI=1/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3",C18H24N2O6,,,,,,NIOPZPCMRQGZCE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.462,254-427-4,39356-80-4,"Antimony, compound with iron (2:3)",-,[Fe].[Fe].[Fe].[Sb].[Sb],[Fe].[Fe].[Fe].[Sb].[Sb],InChI=1/3Fe.2Sb/q3*+2;2*+3,Fe.Sb,,,,,,CIIUHIJUYAHBKH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.480,277-551-0,73609-36-6,"Dichloromethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane","(dichloromethyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH2]C(Cl)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH2]C(Cl)Cl,"InChI=1/C9H7Cl2F13Si/c10-3(11)25-2-1-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h3H,1-2,25H2",C9H7Cl2F13Si,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12636,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.480,ZWTVXVXHLIUGIF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.481,277-552-6,73612-29-0,Strontium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate,strontium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate,[Sr+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Sr+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C18H14N2O6S.Sr/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2",C18H14N2O6S.Sr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14194,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.481,PCUSYVUXPIAEBK-UHFFFAOYSA-L,,,,,,,,,,,
100.070.486,277-557-3,73637-04-4,"2,4-bis(2-methylphenoxy)aniline","2,4-bis(2-methylphenoxy)aniline",Cc1ccccc1Oc2ccc(N)c(Oc3ccccc3C)c2,Cc1ccccc1Oc2ccc(N)c(Oc3ccccc3C)c2,"InChI=1/C20H19NO2/c1-14-7-3-5-9-18(14)22-16-11-12-17(21)20(13-16)23-19-10-6-4-8-15(19)2/h3-13H,21H2,1-2H3",C20H19NO2,,,,,,LHEPTIRLRDQRQR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.490,277-562-0,73663-75-9,[4-[cyano(4-fluorophenyl)methyl]phenyl]ammonium chloride,4-[cyano(4-fluorophenyl)methyl]anilinium chloride,[Cl-].[NH3+]c1ccc(cc1)C(C#N)c2ccc(F)cc2,[Cl-].[NH3+]c1ccc(cc1)C(C#N)c2ccc(F)cc2,"InChI=1/C14H11FN2.ClH/c15-12-5-1-10(2-6-12)14(9-16)11-3-7-13(17)8-4-11;/h1-8,14H,17H2;1H",C14H11FN2.ClH,,,,,,LYKFRKLBPHTPOU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.142,254-075-1,38668-48-3,"1,1'-(p-tolylimino)dipropan-2-ol","1,1'-[(4-methylphenyl)imino]dipropan-2-ol",CC(O)CN(CC(C)O)c1ccc(C)cc1,CC(O)CN(CC(C)O)c1ccc(C)cc1,"InChI=1/C13H21NO2/c1-10-4-6-13(7-5-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3",C13H21NO2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5886,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.142,JFZVSHAMRZPOPA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.145,254-078-8,38675-79-5,4-tert-butylphenyl cyclopropyl ketone,(4-tert-butylphenyl)(cyclopropyl)methanone,CC(C)(C)c1ccc(cc1)C(=O)C2CC2,CC(C)(C)c1ccc(cc1)C(=O)C2CC2,"InChI=1/C14H18O/c1-14(2,3)12-8-6-11(7-9-12)13(15)10-4-5-10/h6-10H,4-5H2,1-3H3",C14H18O,,,,,,XVDLXILLBPXUPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.147,254-080-9,38684-65-0,"Di(methacrylic) acid, diester with butanediol","butane-1,4-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCCCOC(=O)C(=C)C,CC(=C)C(=O)OCCCCOC(=O)C(=C)C,"InChI=1/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3",C12H18O4,,,,,,XOJWAAUYNWGQAU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.149,254-083-5,38686-70-3,"2,5-diethoxy-4-[(p-tolyl)thio]benzenediazonium hexafluorophosphate","2,5-diethoxy-4-[(4-methylphenyl)sulfanyl]benzenediazonium hexafluorophosphate",CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2.F[P-](F)(F)(F)(F)F,CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2.F[P-](F)(F)(F)(F)F,"InChI=1/C17H19N2O2S.F6P/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;1-7(2,3,4,5)6/h6-11H,4-5H2,1-3H3;/q+1;-1",C17H19N2O2S.F6P,,,,,,LGTSHOIRCZPMIY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.156,254-090-3,38694-47-2,4-bromobutyraldehyde,4-bromobutanal,BrCCCC=O,BrCCCC=O,"InChI=1/C4H7BrO/c5-3-1-2-4-6/h4H,1-3H2",C4H7BrO,,,,,,GMZBZKVJMOEKGM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.157,254-091-9,38701-74-5,"1,1,1,3,3,3-hexafluoro[2-2H]propan-2-[2H]ol","1,1,1,3,3,3-hexafluoro[2-2H]propan-2-[2H]ol",OC(C(F)(F)F)C(F)(F)F,OC(C(F)(F)F)C(F)(F)F,"InChI=1/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H",C3D2F6O,,,,,,BYEAHWXPCBROCE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.161,254-096-6,38708-95-1,Calcium hexanoate,calcium dihexanoate,[Ca+2].CCCCCC(=O)[O-].CCCCCC(=O)[O-],[Ca+2].CCCCCC(=O)[O-].CCCCCC(=O)[O-],"InChI=1/2C6H12O2.Ca/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);/q;;+2/p-2",C6H12O2.1/2Ca,,,,,,BSJIICUVGMPYSD-UHFFFAOYSA-L,,,,,,,,,,,
100.049.165,254-100-6,38720-66-0,"Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione","1,2-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione",Clc1ccc2Nc3cc4C(=O)c5ccccc5Nc4cc3C(=O)c2c1Cl,Clc1ccc2Nc3cc4C(=O)c5ccccc5Nc4cc3C(=O)c2c1Cl,"InChI=1/C20H10Cl2N2O2/c21-12-5-6-14-17(18(12)22)20(26)11-8-15-10(7-16(11)24-14)19(25)9-3-1-2-4-13(9)23-15/h1-8H,(H,23,25)(H,24,26)",C20H10Cl2N2O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10631,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.165,JMEWGCRUPXQFQL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.172,254-107-4,38731-83-8,"1,3-dimethyl-9H-xanthene","1,3-dimethyl-9H-xanthene",Cc1cc(C)c2Cc3ccccc3Oc2c1,Cc1cc(C)c2Cc3ccccc3Oc2c1,"InChI=1/C15H14O/c1-10-7-11(2)13-9-12-5-3-4-6-14(12)16-15(13)8-10/h3-8H,9H2,1-2H3",C15H14O,,,,,,VFZSMNNOWFIOPV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.173,254-109-5,38731-84-9,"2,4-dimethyl-9H-xanthene","2,4-dimethyl-9H-xanthene",Cc1cc(C)c2Oc3ccccc3Cc2c1,Cc1cc(C)c2Oc3ccccc3Cc2c1,"InChI=1/C15H14O/c1-10-7-11(2)15-13(8-10)9-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3",C15H14O,,,,,,DYPXUDSNLBBKIG-UHFFFAOYSA-N,,,,,,,,,,,
100.049.175,254-111-6,38736-15-1,"2-(4-fluorophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole","2-(4-fluorophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole",Fc1ccc(cc1)c2oc(nn2)c3ccc4ccccc4c3,Fc1ccc(cc1)c2oc(nn2)c3ccc4ccccc4c3,InChI=1/C18H11FN2O/c19-16-9-7-13(8-10-16)17-20-21-18(22-17)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,C18H11FN2O,,,,,,BFFQFOBHPRLZCN-UHFFFAOYSA-N,,,,,,,,,,,
100.076.091,283-730-4,84708-91-8,D-glycero-a-D-gulo-heptopyranose,D-glycero-alpha-D-gulo-heptopyranose,OC[C@@H](O)[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O,OC[C@@H](O)[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2",C7H14O7,,,,,,BGWQRWREUZVRGI-XLCKTPMPSA-N,,,,,,,,,,,
100.076.114,283-756-6,84712-65-2,"a-benzyl-5-(5-chloro-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid","2-[5-(5-chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid",S=C2SC(C(=O)N2C(Cc1ccccc1)C(O)=O)=C4N(C)c3ccc(Cl)cc3N4C,S=C2SC(C(=O)N2C(Cc1ccccc1)C(O)=O)=C4N(C)c3ccc(Cl)cc3N4C,"InChI=1/C21H18ClN3O3S2/c1-23-14-9-8-13(22)11-15(14)24(2)18(23)17-19(26)25(21(29)30-17)16(20(27)28)10-12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3,(H,27,28)",C21H18ClN3O3S2,,,,,,CWYZKJWRWUSWHT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.121,283-763-4,84712-73-2,"6-chloro-N-cyclopentyl-N'-ethyl-1,3,5-triazine-2,4-diamine","6-chloro-N-cyclopentyl-N'-ethyl-1,3,5-triazine-2,4-diamine",CCNc1nc(Cl)nc(NC2CCCC2)n1,CCNc1nc(Cl)nc(NC2CCCC2)n1,"InChI=1/C10H16ClN5/c1-2-12-9-14-8(11)15-10(16-9)13-7-5-3-4-6-7/h7H,2-6H2,1H3,(H2,12,13,14,15,16)",C10H16ClN5,,,,,,UFJQDXKKUXQRHW-UHFFFAOYSA-N,,,,,,,,,,,
100.053.177,258-513-2,53398-80-4,(E)-hex-2-enyl propionate,hex-2-en-1-yl propionate,CCC\\C=C\\COC(=O)CC,CCC\C=C\COC(=O)CC,"InChI=1/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3",C9H16O2,,,,,,LPWKTEHEFDVAQS-VOTSOKGWSA-N,,,,,,,,,,,
100.053.179,258-515-3,53398-83-7,(E)-hex-2-enyl butyrate,hex-2-en-1-yl butyrate,CCC\\C=C\\COC(=O)CCC,CCC\C=C\COC(=O)CCC,"InChI=1/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3",C10H18O2,,,,,,PCGACKLJNBBQGM-VOTSOKGWSA-N,,,,,,,,,,,
100.053.180,258-516-9,53398-84-8,(E)-hex-3-enyl butyrate,hex-3-en-1-yl butyrate,CCCC(=O)OCC\\C=C\\CC,CCCC(=O)OCC\C=C\CC,"InChI=1/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3",C10H18O2,,,,,,ZCHOPXVYTWUHDS-AATRIKPKSA-N,,,,,,,,,,,
100.053.187,258-524-2,53404-18-5,"Potassium 4-(1,1-dimethylpropyl)phenolate","potassium 4-(1,1-dimethylpropyl)phenolate",[K+].CCC(C)(C)c1ccc([O-])cc1,[K+].CCC(C)(C)c1ccc([O-])cc1,"InChI=1/C11H16O.K/c1-4-11(2,3)9-5-7-10(12)8-6-9;/h5-8,12H,4H2,1-3H3;/q;+1/p-1",C11H16O.K,,,,,,MUJHVWDJMOVCOZ-UHFFFAOYSA-M,,,,,,,,,,,
100.053.188,258-525-8,53404-19-6,"5-bromo-3-sec-butyl-6-methylpyrimidine-2,4(1H,3H)-dione, lithium salt",-,[Li+].CCC(C)N1C(=O)NC(=C(Br)C1=O)C,[Li+].CCC(C)N1C(=O)NC(=C(Br)C1=O)C,"InChI=1/C9H13BrN2O2.Li/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;/h5H,4H2,1-3H3,(H,11,14);/q;+1",C9H13BrN2O2.Li,,,,,,BJLAKIGBVNZDDN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.194,258-532-6,53404-43-6,"2-sec-butyl-4,6-dinitrophenol, compound with 2,2'-iminodiethanol (1:1)","2,2'-iminodiethanol - 2-sec-butyl-4,6-dinitrophenol (1:1)",CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-].OCCNCCO,CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-].OCCNCCO,"InChI=1/C10H12N2O5.C4H11NO2/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;6-3-1-5-2-4-7/h4-6,13H,3H2,1-2H3;5-7H,1-4H2",C10H12N2O5.C4H11NO2,,,,,,LITHUQSNACPLIL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.198,258-536-8,53404-76-5,"2-ethylhexyl 2-(2,4,5-trichlorophenoxy)propionate","2-ethylhexyl 2-(2,4,5-trichlorophenoxy)propanoate",CCCCC(CC)COC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCCCC(CC)COC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C17H23Cl3O3/c1-4-6-7-12(5-2)10-22-17(21)11(3)23-16-9-14(19)13(18)8-15(16)20/h8-9,11-12H,4-7,10H2,1-3H3",C17H23Cl3O3,,,,,,XSTLHFQIGNKYFG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.206,258-545-7,53417-29-1,"2,2-bis(hydroxymethyl)-1,3-propanediyl diacrylate","2,2-bis(hydroxymethyl)propane-1,3-diyl bisacrylate",OCC(CO)(COC(=O)C=C)COC(=O)C=C,OCC(CO)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C11H16O6/c1-3-9(14)16-7-11(5-12,6-13)8-17-10(15)4-2/h3-4,12-13H,1-2,5-8H2",C11H16O6,,,,,,CQHKDHVZYZUZMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.210,258-549-9,53423-99-7,"Bis(didodecyldithiocarbamato-S,S')zinc",zinc bis(didodecyldithiocarbamate),CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)S[Zn]SC(=S)N(CCCCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)S[Zn]SC(=S)N(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/2C25H51NS2.Zn/c2*1-3-5-7-9-11-13-15-17-19-21-23-26(25(27)28)24-22-20-18-16-14-12-10-8-6-4-2;/h2*3-24H2,1-2H3,(H,27,28);/q;;+2/p-2/rC50H100N2S4Zn/c1-5-9-13-17-21-25-29-33-37-41-45-51(46-42-38-34-30-26-22-18-14-10-6-2)49(53)55-57-56-50(54)52(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h5-48H2,1-4H3",C50H100N2S4Zn,,,,,,WKPMJWCYKAGOLT-UHFFFAOYSA-L,,,,,,,,,,,
100.062.864,269-171-9,68188-98-7,5-butyl-5-ethyldihydrofuran-2(3H)-one,5-butyl-5-ethyldihydrofuran-2(3H)-one,CCCCC1(CC)CCC(=O)O1,CCCCC1(CC)CCC(=O)O1,"InChI=1/C10H18O2/c1-3-5-7-10(4-2)8-6-9(11)12-10/h3-8H2,1-2H3",C10H18O2,,,,,,KPODJTXDIIOWSY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.870,269-178-7,68189-18-4,Barium 2-[(1-hydroxy-2-naphthyl)azo]naphthalenesulphonate (1:2),barium bis{2-[(1-hydroxy-2-naphthyl)diazenyl]naphthalene-1-sulfonate},[Ba].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc2ccc1ccccc1c2O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc2ccc1ccccc1c2O,[Ba].[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc2ccc1ccccc1c2O.[O-]S(=O)(=O)c3c4ccccc4ccc3N=Nc2ccc1ccccc1c2O,"InChI=1/2C20H14N2O4S.Ba/c2*23-19-15-7-3-1-5-13(15)9-11-17(19)21-22-18-12-10-14-6-2-4-8-16(14)20(18)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2",C20H14N2O4S.1/2Ba,,,,,,PHDCZUUZVMTRPX-UHFFFAOYSA-L,,,,,,,,,,,
100.074.394,281-860-6,84041-80-5,"2,5-dihydro-4-methylthiazol-5-ethanol","2-(4-methyl-2,5-dihydro-1,3-thiazol-5-yl)ethanol",CC1=NCSC1CCO,CC1=NCSC1CCO,"InChI=1/C6H11NOS/c1-5-6(2-3-8)9-4-7-5/h6,8H,2-4H2,1H3",C6H11NOS,,,,,,CJZPPTPIWLYBJR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.689,251-373-3,33089-36-0,"1,4,7,10,13,16,19-heptaoxacyclohenicosane","1,4,7,10,13,16,19-heptaoxacyclohenicosane",C1COCCOCCOCCOCCOCCOCCO1,C1COCCOCCOCCOCCOCCOCCO1,InChI=1/C14H28O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15-1/h1-14H2,C14H28O7,,,,,,XKEHLMZHBXCJGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.690,251-374-9,33089-37-1,"1,4,7,10,13,16,19,22-octaoxacyclotetracosane","1,4,7,10,13,16,19,22-octaoxacyclotetracosane",C1COCCOCCOCCOCCOCCOCCOCCO1,C1COCCOCCOCCOCCOCCOCCOCCO1,InChI=1/C16H32O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17-1/h1-16H2,C16H32O8,,,,,,BGYBONWLWSMGNV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.691,251-375-4,33089-61-1,Amitraz,"N'-(2,4-dimethylphenyl)-N-{[(2,4-dimethylphenyl)imino]methyl}-N-methylimidoformamide (non-preferred name)",Cc2ccc(N=CN(C)C=Nc1ccc(C)cc1C)c(C)c2,Cc2ccc(N=CN(C)C=Nc1ccc(C)cc1C)c(C)c2,"InChI=1/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3",C19H23N3,,,,,,QXAITBQSYVNQDR-UHFFFAOYSA-N,Positive,EA010701|EA010702|EA010703|EA010704|EA010705|EA010706|EA010707|EA010708|EA010709|EA010710|EA010711|EA010712|EA010713|EA010714,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,163.1229:253.1697|163.1228:294.1963:253.1695|163.123:253.1701|163.1229:253.1695:122.0965|163.1228:122.0964:132.0806|122.0964:163.1228:132.0807|107.0728:122.0964:105.0698|163.1229:294.1963:253.1698|163.123:253.1696|163.1229:122.0964:253.1698|163.1229:122.0964:132.0806|122.0963:163.1228:107.0729|107.0729:105.0698:122.0964|163.123:253.1697,Eawag,,,,,
100.046.692,251-377-5,33090-06-1,"Acrylic acid, compound with 2-aminoethanol (1:1)",acrylic acid - 2-aminoethanol (1:1),NCCO.OC(=O)C=C,NCCO.OC(=O)C=C,"InChI=1/C3H4O2.C2H7NO/c1-2-3(4)5;3-1-2-4/h2H,1H2,(H,4,5);4H,1-3H2",C3H4O2.C2H7NO,,,,,,LCLMOJQKUBRPIM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.699,251-384-3,33125-86-9,Ethylene bis(bis(2-chloroethyl)phosphate),"tetrakis(2-chloroethyl) ethane-1,2-diyl bis(phosphate)",ClCCOP(=O)(OCCCl)OCCOP(=O)(OCCCl)OCCCl,ClCCOP(=O)(OCCCl)OCCOP(=O)(OCCCl)OCCCl,"InChI=1/C10H20Cl4O8P2/c11-1-5-17-23(15,18-6-2-12)21-9-10-22-24(16,19-7-3-13)20-8-4-14/h1-10H2",C10H20Cl4O8P2,,,,,,CJWBPEYRTPGWPF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.713,251-400-9,33184-52-0,5-fluoro-2-methylbenzophenone,(5-fluoro-2-methylphenyl)(phenyl)methanone,Cc1ccc(F)cc1C(=O)c2ccccc2,Cc1ccc(F)cc1C(=O)c2ccccc2,"InChI=1/C14H11FO/c1-10-7-8-12(15)9-13(10)14(16)11-5-3-2-4-6-11/h2-9H,1H3",C14H11FO,,,,,,GNXJPRNYERGDKD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.716,251-404-0,33204-32-9,ß-D-glucopyranosylurea,N-carbamoyl-beta-D-glucopyranosylamine,NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C7H14N2O6/c8-7(14)9-6-5(13)4(12)3(11)2(1-10)15-6/h2-6,10-13H,1H2,(H3,8,9,14)",C7H14N2O6,,,,,,FKWQEFWENKGUGF-VFUOTHLCSA-N,,,,,,,,,,,
100.046.720,251-408-2,33214-32-3,2-amino-N-decylbenzenesulphonamide,2-amino-N-decylbenzenesulfonamide,CCCCCCCCCCNS(=O)(=O)c1ccccc1N,CCCCCCCCCCNS(=O)(=O)c1ccccc1N,"InChI=1/C16H28N2O2S/c1-2-3-4-5-6-7-8-11-14-18-21(19,20)16-13-10-9-12-15(16)17/h9-10,12-13,18H,2-8,11,14,17H2,1H3",C16H28N2O2S,,,,,,ANEIGMLCYCZUCH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.721,251-409-8,33228-45-4,4-hexylaniline,4-hexylaniline,CCCCCCc1ccc(N)cc1,CCCCCCc1ccc(N)cc1,"InChI=1/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3",C12H19N,,,,,,OVEMTTZEBOCJDV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.729,251-418-7,33237-74-0,"N-(2,3-dihydro-1H-inden-2-yl)-N',N'-diethyl-N-phenylpropane-1,3-diamine monohydrochloride","N-(2,3-dihydro-1H-inden-2-yl)-N',N'-diethyl-N-phenylpropane-1,3-diamine hydrochloride",Cl.CCN(CC)CCCN(C1Cc2ccccc2C1)c3ccccc3,Cl.CCN(CC)CCCN(C1Cc2ccccc2C1)c3ccccc3,"InChI=1/C22H30N2.ClH/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22;/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3;1H",C22H30N2.ClH,,,,,,KIPFVRHNAAZJOD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.731,251-420-8,33240-34-5,Bromocyclopentylmagnesium,bromo(cyclopentyl)magnesium,Br[Mg]C1CCCC1,Br[Mg]C1CCCC1,"InChI=1/C5H9.BrH.Mg/c1-2-4-5-3-1;;/h1H,2-5H2;1H;/q;;+1/p-1/rC5H9BrMg/c6-7-5-3-1-2-4-5/h5H,1-4H2",C5H9BrMg,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17551,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.731,PZOJUJCALDFFHC-UHFFFAOYSA-M,,,,,,,,,,,
100.046.733,251-422-9,33242-26-1,Calcium glycinate,calcium bis(aminoacetate),[Ca+2].NCC(=O)[O-].NCC(=O)[O-],[Ca+2].NCC(=O)[O-].NCC(=O)[O-],"InChI=1/2C2H5NO2.Ca/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",C2H5NO2.xCa,,,,,,OFNJDDJDXNMTHZ-UHFFFAOYSA-L,,,,,,,,,,,
100.046.736,251-426-0,33245-39-5,Fluchloralin,"N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline",CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3",C12H13ClF3N3O4,,,,,,MNFMIVVPXOGUMX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.467,277-536-9,73554-84-4,N-(tert-butoxycarbonyl)-L-valyl-L-leucyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-lysinamide,N-(tert-butoxycarbonyl)-L-valylleucyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C32H49N5O7/c1-18(2)15-24(36-30(41)27(19(3)4)37-31(42)44-32(6,7)8)29(40)35-23(11-9-10-14-33)28(39)34-21-12-13-22-20(5)16-26(38)43-25(22)17-21/h12-13,16-19,23-24,27H,9-11,14-15,33H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)",C32H49N5O7,,,,,,KVLPXRKIIFWZLM-DPZBCOQUSA-N,,,,,,,,,,,
100.049.463,254-429-5,39363-31-0,Trisodium 2-[2-(4-nitro-2-sulphonatophenyl)vinyl]-5-[[4-[(4-sulphonatophenyl)azo]phenyl]-NNO-azoxy]benzenesulphonate,trisodium 5-nitro-2-{2-[2-sulfonato-4-({4-[(4-sulfonatophenyl)diazenyl]phenyl}-NNO-azoxy)phenyl]vinyl}benzenesulfonate,[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+](\\[O-])=N/c3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+](\[O-])=N/c3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3)c(c4)S([O-])(=O)=O,"InChI=1/C26H19N5O12S3.3Na/c32-30(29-21-7-5-19(6-8-21)27-28-20-9-13-24(14-10-20)44(35,36)37)22-11-3-17(25(15-22)45(38,39)40)1-2-18-4-12-23(31(33)34)16-26(18)46(41,42)43;;;/h1-16H,(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C26H19N5O12S3.3Na,,,,,,FPWJOCBLKPOSNT-XEQFVGIFSA-K,,,,,,,,,,,
100.049.473,254-440-5,39385-67-6,"Dodecanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol","3-hydroxy-2,2-bis(hydroxymethyl)propyl laurate",CCCCCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-16(21)22-15-17(12-18,13-19)14-20/h18-20H,2-15H2,1H3",-,,,,,,ZJLATTXAOOPYRU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.480,254-447-3,39430-51-8,"Acetic acid, chromium salt, basic",-,[Cr+2].CC(=O)[O-],[Cr+2].CC(=O)[O-],"InChI=1/C2H4O2.Cr/c1-2(3)4;/h1H3,(H,3,4);/q;+2/p-1",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10729,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.480,PTFHIMBTNGMSDO-UHFFFAOYSA-M,,,,,,,,,,,
100.049.481,254-448-9,39431-98-6,Dialuminium bromide pentahydroxide,dialuminium bromide pentahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Br-],[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Br-],InChI=1/2Al.BrH.5H2O/h;;1H;5*1H2/q2*+3;;;;;;/p-6,Al2BrH5O5,,,,,,PIQVEXUGCUILQM-UHFFFAOYSA-H,,,,,,,,,,,
100.076.788,284-497-1,84924-83-4,"Disodium 2-(2,3-dihydro-1,3-dioxosulphonato-1H-inden-2-yl)quinolinesulphonate","disodium 2-(1,3-dioxo-2-sulfonato-2,3-dihydro-1H-inden-2-yl)-1,2-dihydroquinoline-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)C1(Nc2ccccc2C=C1)C3(C(=O)c4ccccc4C3=O)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)C1(Nc2ccccc2C=C1)C3(C(=O)c4ccccc4C3=O)S(=O)(=O)[O-],"InChI=1/C18H13NO8S2.2Na/c20-15-12-6-2-3-7-13(12)16(21)18(15,29(25,26)27)17(28(22,23)24)10-9-11-5-1-4-8-14(11)19-17;;/h1-10,19H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C18H11NO8S2.2Na,,,,,,RQTXRJBUOSWWPD-UHFFFAOYSA-L,,,,,,,,,,,
100.076.790,284-499-2,84924-85-6,Aluminium tris(hydroxydimethylbenzenesulphonate),"aluminum tris(2-hydroxy-3,4-dimethylbenzenesulfonate)",[Al+3].Cc1ccc(c(O)c1C)S(=O)(=O)[O-].Cc2ccc(c(O)c2C)S(=O)(=O)[O-].Cc3ccc(c(O)c3C)S(=O)(=O)[O-],[Al+3].Cc1ccc(c(O)c1C)S(=O)(=O)[O-].Cc2ccc(c(O)c2C)S(=O)(=O)[O-].Cc3ccc(c(O)c3C)S(=O)(=O)[O-],"InChI=1/3C8H10O4S.Al/c3*1-5-3-4-7(13(10,11)12)8(9)6(5)2;/h3*3-4,9H,1-2H3,(H,10,11,12);/q;;;+3/p-3",C8H10O4S.1/3Al,,,,,,NUNLWKLGYPRCHT-UHFFFAOYSA-K,,,,,,,,,,,
100.071.672,278-861-9,78182-14-6,N-(7-hydroxy-1-naphthyl)methanesulphonamide,N-(7-hydroxy-1-naphthyl)methanesulfonamide,CS(=O)(=O)Nc1cccc2ccc(O)cc12,CS(=O)(=O)Nc1cccc2ccc(O)cc12,"InChI=1/C11H11NO3S/c1-16(14,15)12-11-4-2-3-8-5-6-9(13)7-10(8)11/h2-7,12-13H,1H3",C11H11NO3S,,,,,,CPANFUIQOQQIGG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.676,278-866-6,78186-85-3,"4-ethyl-1,3-dithiolane-2-thione","4-ethyl-1,3-dithiolane-2-thione",CCC1CSC(=S)S1,CCC1CSC(=S)S1,"InChI=1/C5H8S3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3",C5H8S3,,,,,,NFPWEXAVSWIDJE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.679,278-869-2,78197-02-1,12-oxo-N-phenyl-12H-phthaloperine-4-sulphonamide,"12-oxo-N-phenyl-12H-isoindolo[2,1-a]perimidine-4-sulfonamide",O=C1N2C(=Nc3ccc(c4cccc2c34)S(=O)(=O)Nc5ccccc5)c6ccccc16,O=C1N2C(=Nc3ccc(c4cccc2c34)S(=O)(=O)Nc5ccccc5)c6ccccc16,"InChI=1/C24H15N3O3S/c28-24-17-10-5-4-9-16(17)23-25-19-13-14-21(18-11-6-12-20(22(18)19)27(23)24)31(29,30)26-15-7-2-1-3-8-15/h1-14,26H",C24H15N3O3S,,,,,,KXPFOFOHPNXZCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.681,278-871-3,78210-35-2,o-(2-naphthyl)phenol,2-(2-naphthyl)phenol,Oc1ccccc1c2ccc3ccccc3c2,Oc1ccccc1c2ccc3ccccc3c2,"InChI=1/C16H12O/c17-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17H",C16H12O,,,,,,DYXBPOGHFMDEDL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.697,278-889-1,78286-03-0,"Potassium 2,3-dimercaptopropanesulphonate","potassium 2,3-disulfanylpropane-1-sulfonate",[K+].[O-]S(=O)(=O)CC(S)CS,[K+].[O-]S(=O)(=O)CC(S)CS,"InChI=1/C3H8O3S3.K/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1",C3H8O3S3.K,,,,,,DLNDISUFJGUDKP-UHFFFAOYSA-M,,,,,,,,,,,
100.071.699,278-891-2,78291-25-5,2-[(5-nitrobenzothiazol-2-yl)amino]ethanol,"2-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethanol",OCCNc1nc2cc(ccc2s1)[N+](=O)[O-],OCCNc1nc2cc(ccc2s1)[N+](=O)[O-],"InChI=1/C9H9N3O3S/c13-4-3-10-9-11-7-5-6(12(14)15)1-2-8(7)16-9/h1-2,5,13H,3-4H2,(H,10,11)",C9H9N3O3S,,,,,,ZIOCRCDLXZNNCB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.706,278-899-6,78348-24-0,Indoline-2-carboxylic acid,indoline-2-carboxylic acid,OC(=O)C1Cc2ccccc2N1,OC(=O)C1Cc2ccccc2N1,"InChI=1/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)",C9H9NO2,,,,,,QNRXNRGSOJZINA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.713,278-907-8,78430-43-0,"Cyclooctane-1,2,3,4-tetrol","cyclooctane-1,2,3,4-tetrol",OC1CCCCC(O)C(O)C1O,OC1CCCCC(O)C(O)C1O,"InChI=1/C8H16O4/c9-5-3-1-2-4-6(10)8(12)7(5)11/h5-12H,1-4H2",C8H16O4,,,,,,CYTKGVLSBVTIQY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.179,254-115-8,38750-81-1,"Tetraammonium tetrahydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","tetraammonium tetrahydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.4H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);4*1H3/p-4",C10H28N2O12P4.4H3N,,,,,,XPXGTWAJGFAPBT-UHFFFAOYSA-J,,,,,,,,,,,
100.074.407,281-874-2,84051-85-4,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium acetate","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethyl}pyridinium acetate",[O-]C(C)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)c(Cl)c3,[O-]C(C)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C22H22Cl2N5O2.C2H4O2/c1-3-28(12-11-27-9-5-4-6-10-27)17-7-8-21(16(2)13-17)25-26-22-19(23)14-18(29(30)31)15-20(22)24;1-2(3)4/h4-10,13-15H,3,11-12H2,1-2H3;1H3,(H,3,4)/q+1;/p-1",C22H22Cl2N5O2.C2H3O2,,,,,,LBHDILWMGJVBDB-UHFFFAOYSA-M,,,,,,,,,,,
100.074.409,281-876-3,84051-87-6,2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate,"2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate",[O-]C(C)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]C(C)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C19H23N4O2S.C2H4O2/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-2(3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C19H23N4O2S.C2H3O2,,,,,,BLZWSNCCDXVOPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.411,281-878-4,84051-89-8,"Tetrasodium hydrogen 7-hydroxy-8-[[4-[(3-phosphonatophenyl)azo]-2-sulphonatophenyl]azo]naphthalene-1,3-disulphonate","hydrogen tetrasodium 7-hydroxy-8-({4-[(3-phosphonatophenyl)diazenyl]-2-sulfonatophenyl}diazenyl)naphthalene-1,3-disulfonate",[H+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[H+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C22H17N4O13PS3.4Na.H2/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30;;;;;/h1-11,27H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;;1H/q;5*+1/p-5",C22H17N4O13PS3.4Na,,,,,,DEBDYAZORGUTHY-UHFFFAOYSA-J,,,,,,,,,,,
100.074.416,281-884-7,84051-94-5,Acetoxy[2-[(2-aminoethyl)amino]propoxy]dibutyltin,"N-(2-{[acetoxy(dibutyl)stannyl]oxy}-1-methylethyl)ethane-1,2-diamine",CCCC[Sn](CCCC)(OCC(C)NCCN)OC(=O)C,CCCC[Sn](CCCC)(OCC(C)NCCN)OC(=O)C,"InChI=1/C5H13N2O.2C4H9.C2H4O2.Sn/c1-5(4-8)7-3-2-6;2*1-3-4-2;1-2(3)4;/h5,7H,2-4,6H2,1H3;2*1,3-4H2,2H3;1H3,(H,3,4);/q-1;;;;+2/p-1/rC15H34N2O3Sn/c1-5-7-11-21(12-8-6-2,20-15(4)18)19-13-14(3)17-10-9-16/h14,17H,5-13,16H2,1-4H3",C15H34N2O3Sn,,,,,,ASSRYCKRDFVJIF-UHFFFAOYSA-M,,,,,,,,,,,
100.046.738,251-428-1,33250-21-4,"2-[[3-[(mercaptoacetyl)oxy]-2,2-bis[[(mercaptoacetyl)oxy]methyl]propoxy]methyl]-2-[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate)","3-(2-sulfanylacetoxy)-2-({3-(2-sulfanylacetoxy)-2,2-bis[(2-sulfanylacetoxy)methyl]propoxy}methyl)-2-[(2-sulfanylacetoxy)methyl]propyl sulfanylacetate (non-preferred name)",SCC(=O)OCC(COCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)(COC(=O)CS)COC(=O)CS,SCC(=O)OCC(COCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)(COC(=O)CS)COC(=O)CS,"InChI=1/C22H34O13S6/c23-15(1-36)30-9-21(10-31-16(24)2-37,11-32-17(25)3-38)7-29-8-22(12-33-18(26)4-39,13-34-19(27)5-40)14-35-20(28)6-41/h36-41H,1-14H2",C22H34O13S6,,,,,,ZJTNQTIDXPFTDL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.740,251-430-2,33252-32-3,4-ethylpyridin-2-amine,4-ethylpyridin-2-amine,CCc1ccnc(N)c1,CCc1ccnc(N)c1,"InChI=1/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)",C7H10N2,,,,,,SJWHILBZPGQBJE-UHFFFAOYSA-N,,,,,,,,,,,
100.046.744,251-434-4,33263-43-3,4-chloro-3-pyridinesulphonamide,4-chloropyridine-3-sulfonamide,NS(=O)(=O)c1cnccc1Cl,NS(=O)(=O)c1cnccc1Cl,"InChI=1/C5H5ClN2O2S/c6-4-1-2-8-3-5(4)11(7,9)10/h1-3H,(H2,7,9,10)",C5H5ClN2O2S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17718,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.744,DGIINIBYHCODIH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.746,251-437-0,33273-26-6,"3,7-bis(diethylamino)phenoxazin-5-ium trichlorozincate","3,7-bis(diethylamino)phenoxazin-5-ium trichlorozincate(1-)",CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.Cl[Zn-](Cl)Cl,CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.Cl[Zn-](Cl)Cl,"InChI=1/C20H26N3O.3ClH.Zn/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;;/h9-14H,5-8H2,1-4H3;3*1H;/q+1;;;;+2/p-3/rC20H26N3O.Cl3Zn/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-4(2)3/h9-14H,5-8H2,1-4H3;/q+1;-1",C20H26N3O.Cl3Zn,,,,,,QWROZACRIPOSPD-UHFFFAOYSA-K,,,,,,,,,,,
100.063.018,269-341-2,68227-27-0,"1,4,5-triamino-8-(methylamino)anthraquinone","1,4,5-triamino-8-(methylamino)-9,10-anthraquinone",CNc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12,CNc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12,"InChI=1/C15H14N4O2/c1-19-9-5-4-8(18)12-13(9)15(21)11-7(17)3-2-6(16)10(11)14(12)20/h2-5,19H,16-18H2,1H3",C15H14N4O2,,,,,,RUAYBNOWTIGMLH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.240,281-690-2,84012-50-0,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[ethyl(2-phenoxyethyl)amino]phenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[ethyl(2-phenoxyethyl)amino]phenyl}acetamide",Brc3cc(cc(c3N=Nc1ccc(cc1NC(C)=O)N(CC)CCOc2ccccc2)[N+]([O-])=O)[N+]([O-])=O,Brc3cc(cc(c3N=Nc1ccc(cc1NC(C)=O)N(CC)CCOc2ccccc2)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C24H23BrN6O6/c1-3-29(11-12-37-19-7-5-4-6-8-19)17-9-10-21(22(14-17)26-16(2)32)27-28-24-20(25)13-18(30(33)34)15-23(24)31(35)36/h4-10,13-15H,3,11-12H2,1-2H3,(H,26,32)",C24H23BrN6O6,,,,,,OBMMRQSZTMLKAS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.110,277-144-8,72968-68-4,4-chloro-2-[[4-[(2-hydroxyethyl)amino]-o-tolyl]azo]benzonitrile,4-chloro-2-({4-[(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)benzonitrile,N#Cc2ccc(Cl)cc2N=Nc1ccc(NCCO)cc1C,N#Cc2ccc(Cl)cc2N=Nc1ccc(NCCO)cc1C,"InChI=1/C16H15ClN4O/c1-11-8-14(19-6-7-22)4-5-15(11)20-21-16-9-13(17)3-2-12(16)10-18/h2-5,8-9,19,22H,6-7H2,1H3",C16H15ClN4O,,,,,,IXOXJFDILDBSDX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.112,277-146-9,72968-71-9,"Methyl 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridyl]azo]-3-methyl-2-thenoate","methyl 4-cyano-5-({5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methylpyridin-3-yl}diazenyl)-3-methylthiophene-2-carboxylate",COC(=O)c2sc(N=Nc1c(NCCCOC)nc(NCCCOC)c(C#N)c1C)c(C#N)c2C,COC(=O)c2sc(N=Nc1c(NCCCOC)nc(NCCCOC)c(C#N)c1C)c(C#N)c2C,"InChI=1/C23H29N7O4S/c1-14-16(12-24)20(26-8-6-10-32-3)28-21(27-9-7-11-33-4)18(14)29-30-22-17(13-25)15(2)19(35-22)23(31)34-5/h6-11H2,1-5H3,(H2,26,27,28)",C23H29N7O4S,,,,,,SRTQDAZYCNOJON-UHFFFAOYSA-N,,,,,,,,,,,
100.070.255,277-303-1,73157-43-4,Allyl oct-2-ynoate,allyl oct-2-ynoate,CCCCCC#CC(=O)OCC=C,CCCCCC#CC(=O)OCC=C,"InChI=1/C11H16O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-7,10H2,1H3",C11H16O2,,,,,,YJHAHRNANWIZTN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.257,277-305-2,73157-52-5,"1,2-dihydro-6-hydroxy-5-[[4-[4-(isopropyl)benzoyl]phenyl]azo]-4-methyl-2-oxonicotinonitrile","6-hydroxy-5-{[4-(4-isopropylbenzoyl)phenyl]diazenyl}-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C3=C(/C)C(/N=Nc1ccc(cc1)C(=O)c2ccc(cc2)C(C)C)=C(/O)NC3=O,N#C\C3=C(/C)C(/N=Nc1ccc(cc1)C(=O)c2ccc(cc2)C(C)C)=C(/O)NC3=O,"InChI=1/C23H20N4O3/c1-13(2)15-4-6-16(7-5-15)21(28)17-8-10-18(11-9-17)26-27-20-14(3)19(12-24)22(29)25-23(20)30/h4-11,13H,1-3H3,(H2,25,29,30)",C23H20N4O3,,,,,,RWKZJPHHITZEIU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.267,277-316-2,73195-15-0,"Ethoxybisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione","1-ethoxybisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione",CCOc1cccc2nc3c4ccc5C(=O)n6c(nc7ccccc67)c8ccc(C(=O)n3c12)c4c58,CCOc1cccc2nc3c4ccc5C(=O)n6c(nc7ccccc67)c8ccc(C(=O)n3c12)c4c58,"InChI=1/C28H16N4O3/c1-2-35-21-9-5-7-19-24(21)32-26(30-19)15-11-12-16-22-14(10-13-17(23(15)22)28(32)34)25-29-18-6-3-4-8-20(18)31(25)27(16)33/h3-13H,2H2,1H3",C28H16N4O3,,,,,,KFPCYEVOZYWCGT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.022,269-345-4,68227-31-6,3-methyl-6-methyleneoctan-3-ol,3-methyl-6-methyleneoctan-3-ol,CCC(=C)CCC(C)(O)CC,CCC(=C)CCC(C)(O)CC,"InChI=1/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h11H,3,5-8H2,1-2,4H3",C10H20O,,,,,,CZBZCHPXBPHOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.026,269-350-1,68227-38-3,Diammonium 7-amino-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,diammonium 7-amino-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O,[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O,"InChI=1/C22H17N5O7S2.2H3N/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);2*1H3",C22H17N5O7S2.2H3N,,,,,,JGAURABZBOYCKR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.031,269-355-9,68227-43-0,"6-amino-5-[(2,5-dichlorophenyl)azo]-4-hydroxynaphthalene-2-sulphonic acid","6-amino-5-[(2,5-dichlorophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid",Clc3ccc(Cl)cc3N=Nc1c2c(O)cc(cc2ccc1N)S(O)(=O)=O,Clc3ccc(Cl)cc3N=Nc1c2c(O)cc(cc2ccc1N)S(O)(=O)=O,"InChI=1/C16H11Cl2N3O4S/c17-9-2-3-11(18)13(6-9)20-21-16-12(19)4-1-8-5-10(26(23,24)25)7-14(22)15(8)16/h1-7,22H,19H2,(H,23,24,25)",C16H11Cl2N3O4S,,,,,,SFMVNZLOHORTIO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.032,269-356-4,68227-44-1,Trisodium 8-[[4-[(4-aminophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[(2-hydroxy-7-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,trisodium 8-[(4-aminophenyl)diazenyl]-5-({4-[(2-hydroxy-7-sulfonato-1-naphthyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccc(N)cc2)ccc7N=Nc6ccc(N=Nc3c4cc(ccc4ccc3O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)c(N=Nc2ccc(N)cc2)ccc7N=Nc6ccc(N=Nc3c4cc(ccc4ccc3O)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O,"InChI=1/C36H25N7O10S3.3Na/c37-21-3-5-22(6-4-21)38-39-33-14-12-31(26-10-8-24(18-29(26)33)55(48,49)50)40-41-34-15-13-32(27-11-9-25(19-30(27)34)56(51,52)53)42-43-36-28-17-23(54(45,46)47)7-1-20(28)2-16-35(36)44;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C36H25N7O10S3.3Na,,,,,,HVSPKSXGBRIJIN-UHFFFAOYSA-K,,,,,,,,,,,
100.070.469,277-539-5,73570-52-2,"3,7-bis(diethylamino)phenoxazin-5-ium nitrate","3,7-bis(diethylamino)phenoxazin-5-ium nitrate",CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[O-][N+](=O)[O-],CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[O-][N+](=O)[O-],"InChI=1/C20H26N3O.NO3/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3)4/h9-14H,5-8H2,1-4H3;/q+1;-1",C20H26N3O.NO3,,,,,,FINMBCOJZNNVJY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.471,277-541-6,73570-67-9,p-phenylenebis[(2-hydroxyethyl)dimethylammonium] dichloride,"N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethylbenzene-1,4-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(CCO)c1ccc(cc1)[N+](C)(C)CCO,[Cl-].[Cl-].C[N+](C)(CCO)c1ccc(cc1)[N+](C)(C)CCO,"InChI=1/C14H26N2O2.2ClH/c1-15(2,9-11-17)13-5-7-14(8-6-13)16(3,4)10-12-18;;/h5-8,17-18H,9-12H2,1-4H3;2*1H/q+2;;/p-2",C16H30N2O2.2Cl,,,,,,CJSMGFYWWBFTCN-UHFFFAOYSA-L,,,,,,,,,,,
100.070.484,277-555-2,73615-74-4,1-hydroxy-4-[(2-methoxyphenyl)amino]anthraquinone,"1-hydroxy-4-[(2-methoxyphenyl)amino]-9,10-anthraquinone",COc1ccccc1Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23,COc1ccccc1Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C21H15NO4/c1-26-17-9-5-4-8-14(17)22-15-10-11-16(23)19-18(15)20(24)12-6-2-3-7-13(12)21(19)25/h2-11,22-23H,1H3",C21H15NO4,,,,,,OYLXVFVDAAGGPL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.485,277-556-8,73616-22-5,"Propyl[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl chloride","propyl[2-(2,4,6-trichlorophenoxy)ethyl]carbamic chloride",CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)Cl,CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)Cl,"InChI=1/C12H13Cl4NO2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3",C12H13Cl4NO2,,,,,,NRYIEUFYGYSGDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.488,277-559-4,73652-75-2,2-(tert-butyl)-1-methylnaphthalene,2-tert-butyl-1-methylnaphthalene,Cc1c(ccc2ccccc12)C(C)(C)C,Cc1c(ccc2ccccc12)C(C)(C)C,"InChI=1/C15H18/c1-11-13-8-6-5-7-12(13)9-10-14(11)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,XMVIROUTBQYNDR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.489,277-561-5,73655-05-7,N2-[N-(N-acetyl-L-leucyl)-L-leucyl]-L-arginine sulphate,N-acetyl-L-leucyl-L-leucyl-L-arginine sulfate,CC(C)C[C@H](NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O.OS(=O)(=O)O,CC(C)C[C@H](NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O.OS(=O)(=O)O,"InChI=1/C20H38N6O5.H2O4S/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22;1-5(2,3)4/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23);(H2,1,2,3,4)",C20H38N6O5.xH2O4S,,,,,,IJIKUUTWIAOPKK-NLQWVURJSA-N,,,,,,,,,,,
100.070.497,277-569-9,73692-51-0,"2',3,4,4',6'-pentahydroxychalcone","3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one",Oc1cc(O)c(C(=O)\\C=C\\c2ccc(O)c(O)c2)c(O)c1,Oc1cc(O)c(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1,"InChI=1/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H",C15H12O6,,,,,,CRBYNQCDRNZCNX-DUXPYHPUSA-N,,,,,,,,,,,
100.049.141,254-074-6,38668-46-1,"6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine","6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine",Cc1nccn1CCc2nc(N)nc(N)n2,Cc1nccn1CCc2nc(N)nc(N)n2,"InChI=1/C9H13N7/c1-6-12-3-5-16(6)4-2-7-13-8(10)15-9(11)14-7/h3,5H,2,4H2,1H3,(H4,10,11,13,14,15)",C9H13N7,,,,,,DRQWQDPSMJHCCM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.144,254-077-2,38675-78-4,"Cyclopropyl 3,4-xylyl ketone","cyclopropyl(3,4-dimethylphenyl)methanone",Cc1ccc(cc1C)C(=O)C2CC2,Cc1ccc(cc1C)C(=O)C2CC2,"InChI=1/C12H14O/c1-8-3-4-11(7-9(8)2)12(13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3",C12H14O,,,,,,RVHOLOURUAQTTL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.148,254-081-4,38686-67-8,4-(morpholin-4-yl)benzenediazonium hexafluorophosphate,4-morpholin-4-ylbenzenediazonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.N#[N+]c1ccc(cc1)N2CCOCC2,F[P-](F)(F)(F)(F)F.N#[N+]c1ccc(cc1)N2CCOCC2,"InChI=1/C10H12N3O.F6P/c11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;1-7(2,3,4,5)6/h1-4H,5-8H2;/q+1;-1",C10H12N3O.F6P,,,,,,NMMGXMSWAHSBQI-UHFFFAOYSA-N,,,,,,,,,,,
100.049.159,254-094-5,38705-20-3,2-(3-methoxyphenyl)-5-phenyloxazole,"2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole",COc1cccc(c1)c2oc(cn2)c3ccccc3,COc1cccc(c1)c2oc(cn2)c3ccccc3,"InChI=1/C16H13NO2/c1-18-14-9-5-8-13(10-14)16-17-11-15(19-16)12-6-3-2-4-7-12/h2-11H,1H3",C16H13NO2,,,,,,NWCFKCRZJQLJDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.160,254-095-0,38705-98-5,2-hydroxyethyl 2-(isopropyl)-5-methylcyclohexanecarboxylate,2-hydroxyethyl 2-isopropyl-5-methylcyclohexanecarboxylate,CC(C)C1CCC(C)CC1C(=O)OCCO,CC(C)C1CCC(C)CC1C(=O)OCCO,"InChI=1/C13H24O3/c1-9(2)11-5-4-10(3)8-12(11)13(15)16-7-6-14/h9-12,14H,4-8H2,1-3H3",C13H24O3,,,,,,NNPFZDMSNIETII-UHFFFAOYSA-N,,,,,,,,,,,
100.049.162,254-097-1,38711-20-5,"2,2-dimethoxyethyl(dimethyl)amine","2,2-dimethoxy-N,N-dimethylethanamine",COC(CN(C)C)OC,COC(CN(C)C)OC,"InChI=1/C6H15NO2/c1-7(2)5-6(8-3)9-4/h6H,5H2,1-4H3",C6H15NO2,,,,,,HUYAEQCJNXODLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.167,254-102-7,38721-71-0,Dichlorobenzyl chloride,"1,2-dichloro-3-(chloromethyl)benzene",ClCc1cccc(Cl)c1Cl,ClCc1cccc(Cl)c1Cl,"InChI=1/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2",C7H5Cl3,,,,,,AIPJZPPOFWCJRC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.995,280-318-6,83249-48-3,"2-[[4-[butyl(2-hydroxyethyl)amino]-2-methylphenyl]azo]-5-nitrobenzene-1,3-dicarbonitrile",2-({4-[butyl(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)-5-nitroisophthalonitrile,CCCCN(CCO)c2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)C#N)c(C)c2,CCCCN(CCO)c2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)C#N)c(C)c2,"InChI=1/C21H22N6O3/c1-3-4-7-26(8-9-28)18-5-6-20(15(2)10-18)24-25-21-16(13-22)11-19(27(29)30)12-17(21)14-23/h5-6,10-12,28H,3-4,7-9H2,1-2H3",C21H22N6O3,,,,,,CWYBIEDMCGLVEB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.627,282-115-8,84100-34-5,Potassium 5-[(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-ethanesulphonate,"potassium 2-{5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonate",[K+].S=C2SC(=CC=C1CCCN1CC)C(=O)N2CCS([O-])(=O)=O,[K+].S=C2SC(=CC=C1CCCN1CC)C(=O)N2CCS([O-])(=O)=O,"InChI=1/C13H18N2O4S3.K/c1-2-14-7-3-4-10(14)5-6-11-12(16)15(13(20)21-11)8-9-22(17,18)19;/h5-6H,2-4,7-9H2,1H3,(H,17,18,19);/q;+1/p-1",C13H18N2O4S3.K,,,,,,YNQPEDOIJUXVKJ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.632,282-121-0,84100-41-4,"1-[4-[(acetylamino)sulphonyl]butyl]-2-[2-[2-(4-chlorophenyl)-1-methyl-1H-indol-3-yl]vinyl]-5-(methoxycarbonyl)-3,3-dimethyl-3H-indolium bromide","1-[4-(acetylsulfamoyl)butyl]-2-{2-[2-(4-chlorophenyl)-1-methyl-1H-indol-3-yl]vinyl}-5-(methoxycarbonyl)-3,3-dimethyl-3H-indolium bromide",[Br-].COC(=O)c1ccc2c(c1)C(C)(C)C(=[N+]2CCCCS(=O)(=O)NC(=O)C)\\C=C\\c3c(c4ccc(Cl)cc4)n(C)c5ccccc35,[Br-].COC(=O)c1ccc2c(c1)C(C)(C)C(=[N+]2CCCCS(=O)(=O)NC(=O)C)\C=C\c3c(c4ccc(Cl)cc4)n(C)c5ccccc35,"InChI=1/C35H36ClN3O5S.BrH/c1-23(40)37-45(42,43)21-9-8-20-39-31-18-14-25(34(41)44-5)22-29(31)35(2,3)32(39)19-17-28-27-10-6-7-11-30(27)38(4)33(28)24-12-15-26(36)16-13-24;/h6-7,10-19,22H,8-9,20-21H2,1-5H3;1H",C35H37ClN3O5S.Br,,,,,,GURULCOTEMRHIX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.637,282-126-8,84100-47-0,a-cyclopropyl-4-ethylbenzyl alcohol,cyclopropyl(4-ethylphenyl)methanol,CCc1ccc(cc1)C(O)C2CC2,CCc1ccc(cc1)C(O)C2CC2,"InChI=1/C12H16O/c1-2-9-3-5-10(6-4-9)12(13)11-7-8-11/h3-6,11-13H,2,7-8H2,1H3",C12H16O,,,,,,QAJOIUSWRDELCI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.640,282-129-4,84100-50-5,"4,4-dimethoxypiperidin-3-ol","4,4-dimethoxypiperidin-3-ol",COC1(CCNCC1O)OC,COC1(CCNCC1O)OC,"InChI=1/C7H15NO3/c1-10-7(11-2)3-4-8-5-6(7)9/h6,8-9H,3-5H2,1-2H3",C7H15NO3,,,,,,PGEYGPSQTMWISB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.786,282-291-6,84145-63-1,"Disodium 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-8-hydroxynaphthalene-1,5-disulphonate","disodium 3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-8-hydroxynaphthalene-1,5-disulfonate",[Na+].[Na+].Oc1ccc(c2cc(Nc3nc(F)nc(F)c3Cl)cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1ccc(c2cc(Nc3nc(F)nc(F)c3Cl)cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H8ClF2N3O7S2.2Na/c15-11-12(16)19-14(17)20-13(11)18-5-3-6-8(28(22,23)24)2-1-7(21)10(6)9(4-5)29(25,26)27;;/h1-4,21H,(H,18,19,20)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C14H8ClF2N3O7S2.2Na,,,,,,YXOLLIPXYBOHPC-UHFFFAOYSA-L,,,,,,,,,,,
100.074.790,282-295-8,84145-67-5,"Disodium 4-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]-5-hydroxynaphthalene-1,7-disulphonate","disodium 4-{[5-chloro-6-methyl-2-(methylsulfonyl)pyrimidin-4-yl]amino}-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].Cc1nc(nc(Nc2ccc(c3cc(cc(O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-])c1Cl)S(=O)(=O)C,[Na+].[Na+].Cc1nc(nc(Nc2ccc(c3cc(cc(O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-])c1Cl)S(=O)(=O)C,"InChI=1/C16H14ClN3O9S3.2Na/c1-7-14(17)15(20-16(18-7)30(2,22)23)19-10-3-4-12(32(27,28)29)9-5-8(31(24,25)26)6-11(21)13(9)10;;/h3-6,21H,1-2H3,(H,18,19,20)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H14ClN3O9S3.2Na,,,,,,MGGAPASMMHGARS-UHFFFAOYSA-L,,,,,,,,,,,
100.074.798,282-305-0,84145-75-5,"3,7-diaminophenothiazin-5-ium tetraphenylborate","3,7-diaminophenothiazin-5-ium tetraphenylborate(1-)",Nc1ccc2nc3ccc(N)cc3[s+]c2c1.c4ccc(cc4)[B-](c5ccccc5)(c6ccccc6)c7ccccc7,Nc1ccc2nc3ccc(N)cc3[s+]c2c1.c4ccc(cc4)[B-](c5ccccc5)(c6ccccc6)c7ccccc7,"InChI=1/C24H20B.C12H10N3S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-20H;1-6H,13-14H2/q-1;+1",C24H20B.C12H10N3S,,,,,,CWGKLLDLMAMYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.802,282-309-2,84145-80-2,7-amino-3-(ethylamino)-2-methylphenoxazin-5-ium nitrate,7-amino-3-(ethylamino)-2-methylphenoxazin-5-ium nitrate,CCNc1cc2[o+]c3cc(N)ccc3nc2cc1C.[O-][N+](=O)[O-],CCNc1cc2[o+]c3cc(N)ccc3nc2cc1C.[O-][N+](=O)[O-],"InChI=1/C15H16N3O.NO3/c1-3-17-12-8-15-13(6-9(12)2)18-11-5-4-10(16)7-14(11)19-15;2-1(3)4/h4-8,17H,3,16H2,1-2H3;/q+1;-1",C15H16N3O.NO3,,,,,,JHDQRXPGWRFOBW-UHFFFAOYSA-N,,,,,,,,,,,
100.074.820,282-329-1,84176-62-5,N-[3-allyl-4-hydroxyphenyl]acetamide,N-(3-allyl-4-hydroxyphenyl)acetamide,CC(=O)Nc1ccc(O)c(CC=C)c1,CC(=O)Nc1ccc(O)c(CC=C)c1,"InChI=1/C11H13NO2/c1-3-4-9-7-10(12-8(2)13)5-6-11(9)14/h3,5-7,14H,1,4H2,2H3,(H,12,13)",C11H13NO2,,,,,,GXJRGWXLIYRAHV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.717,278-912-5,78448-48-3,"6-ethyl-1,3,4,6,7,8-hexahydro-4,6,8,8-tetramethylcyclopenta[g]-2-benzopyran","6-ethyl-4,6,8,8-tetramethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene",CCC1(C)CC(C)(C)c2cc3COCC(C)c3cc12,CCC1(C)CC(C)(C)c2cc3COCC(C)c3cc12,"InChI=1/C18H26O/c1-6-18(5)11-17(3,4)15-7-13-10-19-9-12(2)14(13)8-16(15)18/h7-8,12H,6,9-11H2,1-5H3",C18H26O,,,,,,QHYRRSDBBBZQKI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.724,278-919-3,78480-14-5,Dicresulene,"3,3'-methylenebis(6-hydroxy-4-methylbenzenesulfonic acid)",Cc1cc(O)c(cc1Cc2cc(c(O)cc2C)S(=O)(=O)O)S(=O)(=O)O,Cc1cc(O)c(cc1Cc2cc(c(O)cc2C)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C15H16O8S2/c1-8-3-12(16)14(24(18,19)20)6-10(8)5-11-7-15(25(21,22)23)13(17)4-9(11)2/h3-4,6-7,16-17H,5H2,1-2H3,(H,18,19,20)(H,21,22,23)",C15H16O8S2,,,,,,CRLWISMVRNPGKN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.747,251-438-6,33276-75-4,"N,N'-dibenzylethylenediammonio [2S-[2a,5a,6ß(S*)]]-bis[6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate]","6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O,"InChI=1/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)",C16H20N2.2C16H19N3O4S,,,,,,AVKUERGKIZMTKX-UHFFFAOYSA-N,Positive/Negative,mzcloud:825,[M+H]+;[M+Na]+;[2M+H]+;[2M+Na]+,HCD_Averaged,106.0651:160.0427:174.0550:194.0478:333.0904:91.0542:79.0542,HighChem,mzcloud:825,[M-H]-,HCD_Averaged,207.0598:304.1125:74.00700:270.1248,HighChem
100.046.749,251-440-7,33281-91-3,trans-2-(1-mercapto-1-methylethyl)-5-methylcyclohexan-1-one,5-methyl-2-(1-methyl-1-sulfanylethyl)cyclohexanone,C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)S,C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)S,"InChI=1/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3",C10H18OS,,,,,,RVOKNSFEAOYULQ-HTQZYQBOSA-N,,,,,,,,,,,
100.046.879,251-583-5,33587-21-2,Tetramethylene distearate,"butane-1,4-diyl dioctadecanoate",CCCCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39(41)43-37-33-34-38-44-40(42)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",C40H78O4,,,,,,SCSIKTWVGSGLCV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.882,251-586-1,33601-77-3,3-chloroquinuclidine hydrochloride,3-chloroquinuclidine hydrochloride,Cl.ClC1CN2CCC1CC2,Cl.ClC1CN2CCC1CC2,"InChI=1/C7H12ClN.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5H2;1H",C7H12ClN.ClH,,,,,,OOMINTVSHDCDRK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.884,251-588-2,33605-72-0,1-methyl 3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-a-aspartyl]-L-alaninate,methyl N-[(benzyloxy)carbonyl]-L-alpha-aspartylphenylalaninate,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc2ccccc2,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc2ccccc2,"InChI=1/C22H24N2O7/c1-30-21(28)18(12-15-8-4-2-5-9-15)23-20(27)17(13-19(25)26)24-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,23,27)(H,24,29)(H,25,26)",C22H24N2O7,,,,,,YSCNREZXFSZAQO-ROUUACIJSA-N,,,,,,,,,,,
100.046.887,251-591-9,33605-94-6,Pirisudanol,2-(dimethylamino)ethyl [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl succinate,CN(C)CCOC(=O)CCC(=O)OCc1cnc(C)c(O)c1CO,CN(C)CCOC(=O)CCC(=O)OCc1cnc(C)c(O)c1CO,"InChI=1/C16H24N2O6/c1-11-16(22)13(9-19)12(8-17-11)10-24-15(21)5-4-14(20)23-7-6-18(2)3/h8,19,22H,4-7,9-10H2,1-3H3",C16H24N2O6,,,,,,KTOAWCPDBUCJED-UHFFFAOYSA-N,,,,,,,,,,,
100.046.888,251-592-4,33607-57-7,"cis-(±)-1,3-dibenzyldihydro-1H-thieno[3,4-d]imidazole-2,4(3H,3aH)-dione","1,3-dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2,4-dione",O=C1SCC2C1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,O=C1SCC2C1N(Cc3ccccc3)C(=O)N2Cc4ccccc4,"InChI=1/C19H18N2O2S/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2",C19H18N2O2S,,,,,,XJZIDYQGGLZUIO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.627,277-713-0,74094-64-7,"2-(2,6-dimethylhept-5-enyl)-4-methyl-1,3-dioxolane","2-(2,6-dimethylhept-5-en-1-yl)-4-methyl-1,3-dioxolane",CC(CCC=C(C)C)CC1OCC(C)O1,CC(CCC=C(C)C)CC1OCC(C)O1,"InChI=1/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,11-13H,5,7-9H2,1-4H3",C13H24O2,,,,,,LSKGUOZAKOLOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.628,277-714-6,74098-26-3,Isobutyl piperonylate,"isobutyl 1,3-benzodioxole-5-carboxylate",CC(C)COC(=O)c1ccc2OCOc2c1,CC(C)COC(=O)c1ccc2OCOc2c1,"InChI=1/C12H14O4/c1-8(2)6-14-12(13)9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3",C12H14O4,,,,,,NQAZSYLIZHQVQH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.640,277-727-7,74115-12-1,5-chloropyridin-3-ol,5-chloropyridin-3-ol,Oc1cncc(Cl)c1,Oc1cncc(Cl)c1,"InChI=1/C5H4ClNO/c6-4-1-5(8)3-7-2-4/h1-3,8H",C5H4ClNO,,,,,,TUIDQYRZDZRHPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.642,277-729-8,74124-36-0,2-hexadecyl-3-hydroxyicosanoic acid,2-hexadecyl-3-hydroxyicosanoic acid,CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCC)C(=O)O,CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCC)C(=O)O,"InChI=1/C36H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)34(36(38)39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,37H,3-33H2,1-2H3,(H,38,39)",C36H72O3,,,,,,KUBWXAZCUFSNLT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.645,277-732-4,74143-31-0,Chloro[1-[4-(chloromethyl)phenyl]ethyl]dimethylsilane,chloro{1-[4-(chloromethyl)phenyl]ethyl}dimethylsilane,CC(c1ccc(CCl)cc1)[Si](C)(C)Cl,CC(c1ccc(CCl)cc1)[Si](C)(C)Cl,"InChI=1/C11H16Cl2Si/c1-9(14(2,3)13)11-6-4-10(8-12)5-7-11/h4-7,9H,8H2,1-3H3",C11H16Cl2Si,,,,,,WSAOHLZSKAXQJI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.646,277-734-5,74143-32-1,Chloro[2-[4-(chloromethyl)phenyl]ethyl]dimethylsilane,chloro{2-[4-(chloromethyl)phenyl]ethyl}dimethylsilane,C[Si](C)(Cl)CCc1ccc(CCl)cc1,C[Si](C)(Cl)CCc1ccc(CCl)cc1,"InChI=1/C11H16Cl2Si/c1-14(2,13)8-7-10-3-5-11(9-12)6-4-10/h3-6H,7-9H2,1-2H3",C11H16Cl2Si,,,,,,FPDXRQODEPQHSK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.647,277-735-0,74144-37-9,L-asparagine sulphate,L-asparagine sulfate,N[C@@H](CC(=O)N)C(=O)O.OS(=O)(=O)O,N[C@@H](CC(=O)N)C(=O)O.OS(=O)(=O)O,"InChI=1/C4H8N2O3.H2O4S/c5-2(4(8)9)1-3(6)7;1-5(2,3)4/h2H,1,5H2,(H2,6,7)(H,8,9);(H2,1,2,3,4)",C4H8N2O3.xH2O4S,,,,,,WGQPKUTZCLSEIQ-DKWTVANSSA-N,,,,,,,,,,,
100.070.649,277-737-1,74159-80-1,1-chloro-4-(ethylsulphonyl)-2-nitrobenzene,1-chloro-4-(ethylsulfonyl)-2-nitrobenzene,CCS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],CCS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C8H8ClNO4S/c1-2-15(13,14)6-3-4-7(9)8(5-6)10(11)12/h3-5H,2H2,1H3",C8H8ClNO4S,,,,,,VETAODCIKKRRTR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.042,269-367-4,68227-55-4,Sodium 3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]benzenesulphonate,sodium 3-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cccc(c2)S([O-])(=O)=O)c3O,[Na+].COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cccc(c2)S([O-])(=O)=O)c3O,"InChI=1/C24H19N3O6S.Na/c1-33-21-12-5-4-11-20(21)25-24(29)19-13-15-7-2-3-10-18(15)22(23(19)28)27-26-16-8-6-9-17(14-16)34(30,31)32;/h2-14,28H,1H3,(H,25,29)(H,30,31,32);/q;+1/p-1",C24H19N3O6S.Na,,,,,,FJIPWUSLBDLSCV-UHFFFAOYSA-M,,,,,,,,,,,
100.063.043,269-369-5,68227-56-5,"3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-N-methylbenzenesulphonamide","3-{[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-hydroxy-N-methylbenzenesulfonamide",CNS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccc(Cl)cc1)C2=O)c(O)cc3,CNS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccc(Cl)cc1)C2=O)c(O)cc3,"InChI=1/C17H16ClN5O4S/c1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-9-13(7-8-15(14)24)28(26,27)19-2/h3-9,16,19,24H,1-2H3",C17H16ClN5O4S,,,,,,DFIRHORHPXOSRI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.046,269-372-1,68227-60-1,"Sodium 4,5-diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2-sulphonate","sodium 4,5-diamino-1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1ccc(O)c2C(=O)c3c(O)c(cc(N)c3C(=O)c12)S(=O)(=O)[O-],[Na+].Nc1ccc(O)c2C(=O)c3c(O)c(cc(N)c3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H10N2O7S.Na/c15-4-1-2-6(17)10-8(4)13(19)9-5(16)3-7(24(21,22)23)12(18)11(9)14(10)20;/h1-3,17-18H,15-16H2,(H,21,22,23);/q;+1/p-1",C14H10N2O7S.Na,,,,,,UWTABRSXPJWDQH-UHFFFAOYSA-M,,,,,,,,,,,
100.063.048,269-374-2,68227-63-4,"2-chloro-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-hydroxybenzenesulphonamide","2-chloro-5-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide",NS(=O)(=O)c1cc(O)c(cc1Cl)N=NC3C(\\C)=N/N(c2ccccc2)C3=O,NS(=O)(=O)c1cc(O)c(cc1Cl)N=NC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C16H14ClN5O4S/c1-9-15(16(24)22(21-9)10-5-3-2-4-6-10)20-19-12-7-11(17)14(8-13(12)23)27(18,25)26/h2-8,15,23H,1H3,(H2,18,25,26)",C16H14ClN5O4S,,,,,,GFUYIWVDOHOKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.059,269-386-8,68227-75-8,3-amino-4-[(p-tolyl)sulphonyl]benzenesulphonic acid,3-amino-4-[(4-methylphenyl)sulfonyl]benzenesulfonic acid,Cc1ccc(cc1)S(=O)(=O)c2ccc(cc2N)S(=O)(=O)O,Cc1ccc(cc1)S(=O)(=O)c2ccc(cc2N)S(=O)(=O)O,"InChI=1/C13H13NO5S2/c1-9-2-4-10(5-3-9)20(15,16)13-7-6-11(8-12(13)14)21(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)",C13H13NO5S2,,,,,,FBQWWILKAOYQGU-UHFFFAOYSA-N,,,,,,,,,,,
100.065.077,271-606-2,68586-07-2,(2-hydroxyethyl)ammonium dihydrogen orthoborate,2-aminoethanol borate (salt),NCCO.OB(O)O,NCCO.OB(O)O,"InChI=1/C2H7NO.BH3O3/c3-1-2-4;2-1(3)4/h4H,1-3H2;2-4H",C2H7NO.BH3O3,,,,,,QIDCRGDFWRMBJC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.904,283-523-9,84650-65-7,"Phosphoric acid, 2-methylpropyl ester, compd. with 2-aminoethanol",isobutyl dihydrogen phosphate - 2-aminoethanol (1:1),CC(C)COP(=O)(O)O.NCCO,CC(C)COP(=O)(O)O.NCCO,"InChI=1/C4H11O4P.C2H7NO/c1-4(2)3-8-9(5,6)7;3-1-2-4/h4H,3H2,1-2H3,(H2,5,6,7);4H,1-3H2",-,,,,,,XANPTSMRDNTISL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.908,283-528-6,84650-69-1,3-[(2-ethylhexyl)amino]propiononitrile,3-[(2-ethylhexyl)amino]propanenitrile,CCCCC(CC)CNCCC#N,CCCCC(CC)CNCCC#N,"InChI=1/C11H22N2/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11,13H,3-7,9-10H2,1-2H3",C11H22N2,,,,,,CNMWHDXYWDRZLD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.915,283-537-5,84681-77-6,(cyclohexylmethyl)cyclohexylamine,N-(cyclohexylmethyl)cyclohexanamine,C(NC1CCCCC1)C2CCCCC2,C(NC1CCCCC1)C2CCCCC2,"InChI=1/C13H25N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h12-14H,1-11H2",C13H25N,,,,,,JMXKCMGJNZQWDD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.917,283-539-6,84681-79-8,2-(2-hydroxyethyl)piperidine-1-carbaldehyde,2-(2-hydroxyethyl)piperidine-1-carbaldehyde,OCCC1CCCCN1C=O,OCCC1CCCCN1C=O,"InChI=1/C8H15NO2/c10-6-4-8-3-1-2-5-9(8)7-11/h7-8,10H,1-6H2",C8H15NO2,,,,,,UDCBJPFHVLCUHM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.928,283-551-1,84681-90-3,"Ethyl [(3,7-dimethyl-6-octenyl)oxy]acetate","ethyl [(3,7-dimethyloct-6-en-1-yl)oxy]acetate",CCOC(=O)COCCC(C)CCC=C(C)C,CCOC(=O)COCCC(C)CCC=C(C)C,"InChI=1/C14H26O3/c1-5-17-14(15)11-16-10-9-13(4)8-6-7-12(2)3/h7,13H,5-6,8-11H2,1-4H3",C14H26O3,,,,,,SCBMFUVUMCIJSO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.930,283-553-2,84681-92-5,"8-ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol","8-ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol",CCC1(O)C2(C)CCCC1(C)CC2,CCC1(O)C2(C)CCCC1(C)CC2,"InChI=1/C12H22O/c1-4-12(13)10(2)6-5-7-11(12,3)9-8-10/h13H,4-9H2,1-3H3",C12H22O,,,,,,AKVDDUFUTRWZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.945,283-570-5,84682-09-7,"6-chloro-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]toluene-3-sulphonic acid","4-chloro-5-methyl-2-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonic acid",OS(=O)(=O)c3cc(C)c(Cl)cc3N=NC2C(\\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O,OS(=O)(=O)c3cc(C)c(Cl)cc3N=NC2C(\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O,"InChI=1/C17H15ClN4O7S2/c1-9-7-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-3-5-12(6-4-11)30(24,25)26/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29)",C17H15ClN4O7S2,,,,,,WAVLNUUFXMKMFK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.169,254-104-8,38725-13-2,Triisononylamine,"7-methyl-N,N-bis(7-methyloctyl)octan-1-amine",CC(C)CCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C,CC(C)CCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C,"InChI=1/C27H57N/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3",C27H57N,,,,,,YGLJGOMFUHQSBN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.170,254-105-3,38727-55-8,"Ethyl N-(chloroacetyl)-N-(2,6-diethylphenyl)glycinate","ethyl N-(chloroacetyl)-N-(2,6-diethylphenyl)glycinate",CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC,CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC,"InChI=1/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3",C16H22ClNO3,,,,,,WFKSADNZWSKCRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.171,254-106-9,38727-56-9,"Ethyl N-(2,6-diethylphenyl)glycinate","ethyl N-(2,6-diethylphenyl)glycinate",CCOC(=O)CNc1c(CC)cccc1CC,CCOC(=O)CNc1c(CC)cccc1CC,"InChI=1/C14H21NO2/c1-4-11-8-7-9-12(5-2)14(11)15-10-13(16)17-6-3/h7-9,15H,4-6,10H2,1-3H3",C14H21NO2,,,,,,UHJMECPUUCQFRL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.177,254-113-7,38736-17-3,"2-(4-methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole","2-(4-methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole",COc1ccc(cc1)c2oc(nn2)c3ccc4ccccc4c3,COc1ccc(cc1)c2oc(nn2)c3ccc4ccccc4c3,"InChI=1/C19H14N2O2/c1-22-17-10-8-14(9-11-17)18-20-21-19(23-18)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3",C19H14N2O2,,,,,,CZBJYQRHTALCKA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.180,254-116-3,38758-04-2,1-[4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]ethan-1-one,1-[4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]ethanone,CC(=CCCC1=CCC(CC1)C(=O)C)C,CC(=CCCC1=CCC(CC1)C(=O)C)C,"InChI=1/C14H22O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)15/h5,7,14H,4,6,8-10H2,1-3H3",C14H22O,,,,,,OPMMVURHZYBANA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.395,281-861-1,84041-81-6,2-[(3-methylbicyclo[2.2.1]hept-5-en-2-yl)methylene]heptan-1-al,2-[(3-methylbicyclo[2.2.1]hept-5-en-2-yl)methylene]heptanal,O=CC(=CC2C1\\C=C/C(C1)C2C)CCCCC,O=CC(=CC2C1\C=C/C(C1)C2C)CCCCC,"InChI=1/C16H24O/c1-3-4-5-6-13(11-17)9-16-12(2)14-7-8-15(16)10-14/h7-9,11-12,14-16H,3-6,10H2,1-2H3",C16H24O,,,,,,XRNWTJQEOFKXPU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.400,281-866-9,84045-65-8,"Trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(n5)N(CC)c6ccccc6,[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(n5)N(CC)c6ccccc6,"InChI=1/C31H24ClN7O10S3.3Na/c1-2-39(19-9-4-3-5-10-19)31-35-29(32)34-30(36-31)33-23-16-20(50(41,42)43)14-18-15-24(51(44,45)46)26(27(40)25(18)23)38-37-22-13-12-17-8-6-7-11-21(17)28(22)52(47,48)49;;;/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3",C31H24ClN7O10S3.3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18538,https://echa.europa.eu/substance-information/-/substanceinfo/100.074.400,IZALFJAIUFACHU-UHFFFAOYSA-K,,,,,,,,,,,
100.074.414,281-882-6,84051-92-3,"Trisodium hydrogen 4,5-dihydro-5-oxo-4-[(3-phosphonatophenyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","hydrogen trisodium 5-oxo-4-[(3-phosphonatophenyl)diazenyl]-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O,[H+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O,"InChI=1/C16H13N4O9PS.3Na.H2/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29;;;;/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29);;;;1H/q;4*+1/p-4",C16H13N4O9PS.3Na,,,,,,OUMMOMYMQBTCHM-UHFFFAOYSA-K,,,,,,,,,,,
100.046.880,251-584-0,33588-54-4,N-acetyl-5-bromoindolyl acetate,1-acetyl-5-bromo-1H-indol-2-yl acetate,CC(=O)Oc1cc2cc(Br)ccc2n1C(=O)C,CC(=O)Oc1cc2cc(Br)ccc2n1C(=O)C,"InChI=1/C12H10BrNO3/c1-7(15)14-11-4-3-10(13)5-9(11)6-12(14)17-8(2)16/h3-6H,1-2H3",C12H10BrNO3,,,,,,XMXVMCQWNRKPPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.890,251-595-0,33611-41-5,Methyl 3-diethylaminobutyrate,methyl 3-(diethylamino)butanoate,CCN(CC)C(C)CC(=O)OC,CCN(CC)C(C)CC(=O)OC,"InChI=1/C9H19NO2/c1-5-10(6-2)8(3)7-9(11)12-4/h8H,5-7H2,1-4H3",C9H19NO2,,,,,,WUQJBIQCZYGKAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.896,251-601-1,33625-61-5,"3-[4-[(acetylamino)sulphonyl]butyl]-5-cyano-2-[3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-1H-benzimidazolium bromide","3-[4-(acetylsulfamoyl)butyl]-5-cyano-2-[3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1-ethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium bromide",[Br-].CC(=O)NS(=O)(=O)CCCCN3c4cc(C#N)ccc4[NH+](CC)C3C=CC=C2N(CC)c1ccc(cc1N2CC)C#N,[Br-].CC(=O)NS(=O)(=O)CCCCN3c4cc(C#N)ccc4[NH+](CC)C3C=CC=C2N(CC)c1ccc(cc1N2CC)C#N,"InChI=1/C31H37N7O3S.BrH/c1-5-35-26-15-13-24(21-32)19-28(26)37(7-3)30(35)11-10-12-31-36(6-2)27-16-14-25(22-33)20-29(27)38(31)17-8-9-18-42(40,41)34-23(4)39;/h10-16,19-20,31H,5-9,17-18H2,1-4H3,(H,34,39);1H",C31H36N7O3S.Br,,,,,,SZFOUXRPAWGIRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.726,278-921-4,78480-16-7,Dodecyltrimethylammonium isopropyl sulphate,"N,N,N-trimethyldodecan-1-aminium isopropyl sulfate",CCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],CCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],"InChI=1/C15H34N.C3H8O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-3(2)7-8(4,5)6/h5-15H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;/p-1",C15H34N.C3H7O4S,,,,,,YUCIFAZCIIGUBF-UHFFFAOYSA-M,,,,,,,,,,,
100.071.728,278-924-0,78480-18-9,Trimethyl(octadecyl)ammonium isopropyl sulphate,"N,N,N-trimethyloctadecan-1-aminium isopropyl sulfate",CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],"InChI=1/C21H46N.C3H8O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-3(2)7-8(4,5)6/h5-21H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;/p-1",C21H46N.C3H7O4S,,,,,,XOBCXKVCJVXZGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.071.730,278-926-1,78480-20-3,Trimethyltetradecylammonium isopropyl sulphate,"N,N,N-trimethyltetradecan-1-aminium isopropyl sulfate",CCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],CCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-],"InChI=1/C17H38N.C3H8O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-3(2)7-8(4,5)6/h5-17H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;/p-1",C17H38N.C3H7O4S,,,,,,XGMAZIKKMZJPKT-UHFFFAOYSA-M,,,,,,,,,,,
100.071.736,278-932-4,78520-83-9,"3-[[4-[(6,7-dichlorobenzothiazol-2-yl)azo]-3-methylphenyl]ethylamino]propiononitrile","3-[{4-[(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]-3-methylphenyl}(ethyl)amino]propanenitrile",CCN(CCC#N)c3ccc(N=Nc1nc2ccc(Cl)c(Cl)c2s1)c(C)c3,CCN(CCC#N)c3ccc(N=Nc1nc2ccc(Cl)c(Cl)c2s1)c(C)c3,"InChI=1/C19H17Cl2N5S/c1-3-26(10-4-9-22)13-5-7-15(12(2)11-13)24-25-19-23-16-8-6-14(20)17(21)18(16)27-19/h5-8,11H,3-4,10H2,1-2H3",C19H17Cl2N5S,,,,,,CMEXZDOMJFDAOA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.738,278-935-0,78525-16-3,"5-oxo-DL-proline, compound with ethyl N2-undecanoyl-L-argininate (1:1)",5-oxo-L-proline - ethyl N~2~-undecanoyl-L-argininate (1:1),CCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,CCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OCC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C19H38N4O3.C5H7NO3/c1-3-5-6-7-8-9-10-11-14-17(24)23-16(18(25)26-4-2)13-12-15-22-19(20)21;7-4-2-1-3(6-4)5(8)9/h16H,3-15H2,1-2H3,(H,23,24)(H4,20,21,22);3H,1-2H2,(H,6,7)(H,8,9)",C19H38N4O3.C5H7NO3,,,,,,YNVFNJPIGOYERD-IOIXYPRTSA-N,,,,,,,,,,,
100.071.747,278-945-5,78543-31-4,"Bis(2-ethylhexyl) hydrogen phosphate, compound with morpholine (1:1)",bis(2-ethylhexyl) hydrogen phosphate - morpholine (1:1),CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.C1COCCN1,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.C1COCCN1,"InChI=1/C16H35O4P.C4H9NO/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;1-3-6-4-2-5-1/h15-16H,5-14H2,1-4H3,(H,17,18);5H,1-4H2",C16H35O4P.C4H9NO,,,,,,YMTGVLJHVUTIHW-UHFFFAOYSA-N,,,,,,,,,,,
100.074.661,282-153-5,84100-73-2,"Potassium 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxoanthracene-2-sulphonate","potassium 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[K+].Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],[K+].Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H9NO7S.K/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);/q;+1/p-1",C14H9NO7S.K,,,,,,CGUUGSDXCLITKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.673,282-166-6,84100-87-8,"Ammonium sodium 7-[[[[4-acetamidophenyl]amino]carbonyl]amino]-3-[[4-[(2,4-dichloro-6-sulphonatophenyl)azo]-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonate","ammonium sodium 7-{[(4-acetamidophenyl)carbamoyl]amino}-3-({4-[(2,4-dichloro-6-sulfonatophenyl)diazenyl]-3-methylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[NH4+].[Na+].Clc5cc(Cl)cc(c5N=Nc4ccc(N=Nc3c(cc2cc(NC(=O)Nc1ccc(NC(C)=O)cc1)ccc2c3O)S([O-])(=O)=O)cc4C)S([O-])(=O)=O,[NH4+].[Na+].Clc5cc(Cl)cc(c5N=Nc4ccc(N=Nc3c(cc2cc(NC(=O)Nc1ccc(NC(C)=O)cc1)ccc2c3O)S([O-])(=O)=O)cc4C)S([O-])(=O)=O,"InChI=1/C32H25Cl2N7O9S2.H3N.Na/c1-16-11-23(8-10-26(16)39-40-29-25(34)14-19(33)15-28(29)52(48,49)50)38-41-30-27(51(45,46)47)13-18-12-22(7-9-24(18)31(30)43)37-32(44)36-21-5-3-20(4-6-21)35-17(2)42;;/h3-15,43H,1-2H3,(H,35,42)(H2,36,37,44)(H,45,46,47)(H,48,49,50);1H3;/q;;+1/p-1",C32H25Cl2N7O9S2.xH3N.xNa,,,,,,OWANUXJUUZYQHN-UHFFFAOYSA-M,,,,,,,,,,,
100.074.677,282-170-8,84100-91-4,N-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)amino]-3-nitrobenzenesulphonamide,N-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)amino]-3-nitrobenzenesulfonamide,Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3ccc(O)cc3)cc1,Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3ccc(O)cc3)cc1,"InChI=1/C18H15N3O6S/c22-14-5-1-12(2-6-14)19-17-10-9-16(11-18(17)21(24)25)28(26,27)20-13-3-7-15(23)8-4-13/h1-11,19-20,22-23H",C18H15N3O6S,,,,,,BZMNJADAIGWBPM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.678,282-171-3,84100-92-5,"4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-N-(4-hydroxyphenyl)benzenesulphonamide","4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-N-(4-hydroxyphenyl)benzenesulfonamide",Nc1c(Oc2ccc(cc2)S(=O)(=O)Nc3ccc(O)cc3)cc(O)c4C(=O)c5ccccc5C(=O)c14,Nc1c(Oc2ccc(cc2)S(=O)(=O)Nc3ccc(O)cc3)cc(O)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C26H18N2O7S/c27-24-21(13-20(30)22-23(24)26(32)19-4-2-1-3-18(19)25(22)31)35-16-9-11-17(12-10-16)36(33,34)28-14-5-7-15(29)8-6-14/h1-13,28-30H,27H2",C26H18N2O7S,,,,,,XHXIXAJCGSMLIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.650,277-738-7,74160-02-4,Bis(2-hydroxyethyl)methyl(octadecyl)ammonium methyl sulphate,N-[3-hydroxy-1-(2-hydroxyethyl)propyl]octadecan-1-aminium methyl sulfate,CCCCCCCCCCCCCCCCCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-],"InChI=1/C23H49NO2.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(18-21-25)19-22-26;1-5-6(2,3)4/h23-26H,2-22H2,1H3;1H3,(H,2,3,4)",C23H50NO2.CH3O4S,,,,,,OSBGMRLNKRTYTC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.652,277-740-8,74165-69-8,Ammonium 3-bromo-2-oxobornane-8-sulphonate,"ammonium (3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)methanesulfonate",[NH4+].CC1(CS(=O)(=O)[O-])C2CCC1(C)C(=O)C2Br,[NH4+].CC1(CS(=O)(=O)[O-])C2CCC1(C)C(=O)C2Br,"InChI=1/C10H15BrO4S.H3N/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3",C10H15BrO4S.H3N,,,,,,GFBVBBRNPGPROZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.654,277-742-9,74173-53-8,3-[(4-amino-5-methoxy-o-tolyl)azo]-4-methoxybenzenesulphonic acid,3-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-4-methoxybenzenesulfonic acid,COc2ccc(cc2N=Nc1cc(OC)c(N)cc1C)S(O)(=O)=O,COc2ccc(cc2N=Nc1cc(OC)c(N)cc1C)S(O)(=O)=O,"InChI=1/C15H17N3O5S/c1-9-6-11(16)15(23-3)8-12(9)17-18-13-7-10(24(19,20)21)4-5-14(13)22-2/h4-8H,16H2,1-3H3,(H,19,20,21)",C15H17N3O5S,,,,,,BBFLXBAKDDPDIF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.655,277-743-4,74173-78-7,Ammonium 1-carboxylatoethyl stearate,ammonium 2-(stearoyloxy)propanoate,[NH4+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-],"InChI=1/C21H40O4.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h19H,3-18H2,1-2H3,(H,23,24);1H3",C21H40O4.H3N,,,,,,MHGUZECDIRJQKU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.657,277-746-0,74176-31-1,Alfaprostol,"methyl 7-[2-(5-cyclohexyl-3-hydroxypent-1-yn-1-yl)-3,5-dihydroxycyclopentyl]hept-5-enoate",COC(=O)CCCC=CC[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2C#C[C@@H](O)CCC1CCCCC1,COC(=O)CCCC=CC[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2C#C[C@@H](O)CCC1CCCCC1,"InChI=1/C24H38O5/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18/h2,7,18-23,25-27H,3-6,8-14,17H2,1H3",C24H38O5,,,,,,OZDSQCVLNUIYLN-BVAFDOMYSA-N,,,,,,,,,,,
100.070.658,277-747-6,74180-14-6,1-methylpiperidin-4-yl 2-aminobenzoate,1-methylpiperidin-4-yl 2-aminobenzoate,CN1CCC(CC1)OC(=O)c2ccccc2N,CN1CCC(CC1)OC(=O)c2ccccc2N,"InChI=1/C13H18N2O2/c1-15-8-6-10(7-9-15)17-13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3",C13H18N2O2,,,,,,XLPQZGUNICBTCY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.659,277-748-1,74180-15-7,1-methyl-4-piperidinyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate,1-methylpiperidin-4-yl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate,CN1CCC(CC1)OC(=O)c2ccccc2Nc3ccnc4cc(ccc34)C(F)(F)F,CN1CCC(CC1)OC(=O)c2ccccc2Nc3ccnc4cc(ccc34)C(F)(F)F,"InChI=1/C23H22F3N3O2/c1-29-12-9-16(10-13-29)31-22(30)18-4-2-3-5-19(18)28-20-8-11-27-21-14-15(23(24,25)26)6-7-17(20)21/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,27,28)",C23H22F3N3O2,,,,,,PXEUZERMDKZBIA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.187,254-124-7,38778-78-8,Ethyl 2-[(benzyl)amino]cyclohexene-1-carboxylate,ethyl 2-(benzylamino)cyclohex-1-ene-1-carboxylate,CCOC(=O)C1=C(CCCC1)NCc2ccccc2,CCOC(=O)C1=C(CCCC1)NCc2ccccc2,"InChI=1/C16H21NO2/c1-2-19-16(18)14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-9,17H,2,6-7,10-12H2,1H3",C16H21NO2,,,,,,SZJAFTIFKQOVPU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.193,254-131-5,38806-34-7,4-nitrophenyl N-acetyl-3-phenyl-DL-alaninate,4-nitrophenyl N-acetyl-L-phenylalaninate,CC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],CC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C17H16N2O5/c1-12(20)18-16(11-13-5-3-2-4-6-13)17(21)24-15-9-7-14(8-10-15)19(22)23/h2-10,16H,11H2,1H3,(H,18,20)",C17H16N2O5,,,,,,OBFGGGOSBTXXCS-INIZCTEOSA-N,,,,,,,,,,,
100.049.194,254-132-0,38818-49-4,5-methyl-2-nitrobenzoyl chloride,5-methyl-2-nitrobenzoyl chloride,Cc1ccc(c(c1)C(=O)Cl)[N+](=O)[O-],Cc1ccc(c(c1)C(=O)Cl)[N+](=O)[O-],"InChI=1/C8H6ClNO3/c1-5-2-3-7(10(12)13)6(4-5)8(9)11/h2-4H,1H3",C8H6ClNO3,,,,,,WAYVZRALCRKXTF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.200,254-138-3,38826-92-5,N-[2-[(2-aminoethyl)amino]ethyl]-4-hydroxybutyramide,N-{2-[(2-aminoethyl)amino]ethyl}-4-hydroxybutanamide,NCCNCCNC(=O)CCCO,NCCNCCNC(=O)CCCO,"InChI=1/C8H19N3O2/c9-3-4-10-5-6-11-8(13)2-1-7-12/h10,12H,1-7,9H2,(H,11,13)",C8H19N3O2,,,,,,AIQCOYGNNVZTSU-UHFFFAOYSA-N,,,,,,,,,,,
100.049.207,254-146-7,38841-88-2,"2,6-bis[(2-hydroxyethyl)amino]-4-methylnicotinonitrile","2,6-bis[(2-hydroxyethyl)amino]-4-methylnicotinonitrile",Cc1cc(NCCO)nc(NCCO)c1C#N,Cc1cc(NCCO)nc(NCCO)c1C#N,"InChI=1/C11H16N4O2/c1-8-6-10(13-2-4-16)15-11(9(8)7-12)14-3-5-17/h6,16-17H,2-5H2,1H3,(H2,13,14,15)",C11H16N4O2,,,,,,KJDUOAYSUMEGDN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.208,254-147-2,38841-98-4,Chlorooctylmagnesium,chloro(octyl)magnesium,CCCCCCCC[Mg]Cl,CCCCCCCC[Mg]Cl,"InChI=1/C8H17.ClH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q;;+1/p-1/rC8H17ClMg/c1-2-3-4-5-6-7-8-10-9/h2-8H2,1H3",C8H17ClMg,,,,,,DPBWWQDKVQLWFK-UHFFFAOYSA-M,,,,,,,,,,,
100.070.273,277-323-0,73232-47-0,"(5a)-4,5-epoxy-3,14-dihydroxy-17-(2-propynyl)morphinan-6-one","3,14-dihydroxy-17-prop-2-yn-1-yl-4,5-epoxymorphinan-6-one",Oc1ccc2C[C@H]3N(CC#C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,Oc1ccc2C[C@H]3N(CC#C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C19H19NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h1,3-4,14,17,21,23H,5-10H2",C19H19NO4,,,,,,MFALFAQOKNGPMZ-GRGSLBFTSA-N,,,,,,,,,,,
100.070.275,277-325-1,73240-13-8,"1-methylpropane-1,3-diyl disalicylate","butane-1,3-diyl bis(2-hydroxybenzoate)",CC(CCOC(=O)c1ccccc1O)OC(=O)c2ccccc2O,CC(CCOC(=O)c1ccccc1O)OC(=O)c2ccccc2O,"InChI=1/C18H18O6/c1-12(24-18(22)14-7-3-5-9-16(14)20)10-11-23-17(21)13-6-2-4-8-15(13)19/h2-9,12,19-20H,10-11H2,1H3",C18H18O6,,,,,,OMFBXHAUAOPTIE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.280,277-330-9,73253-44-8,"1,3-bis[2-[(2-aminobenzoyl)oxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione","(4,4-dimethyl-2,5-dioxoimidazolidine-1,3-diyl)diethane-2,1-diyl bis(2-aminobenzoate)",CC1(C)N(CCOC(=O)c2ccccc2N)C(=O)N(CCOC(=O)c3ccccc3N)C1=O,CC1(C)N(CCOC(=O)c2ccccc2N)C(=O)N(CCOC(=O)c3ccccc3N)C1=O,"InChI=1/C23H26N4O6/c1-23(2)21(30)26(11-13-32-19(28)15-7-3-5-9-17(15)24)22(31)27(23)12-14-33-20(29)16-8-4-6-10-18(16)25/h3-10H,11-14,24-25H2,1-2H3",C23H26N4O6,,,,,,DKCHNRMHCRZPJP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.283,277-334-0,73263-39-5,"Sodium 2,3-dihydro-2-methyl-6-(methylamino)-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonate","sodium 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonate",[Na+].CNc1c(cc2C(=O)N(C)C(=O)c3cccc1c23)S(=O)(=O)[O-],[Na+].CNc1c(cc2C(=O)N(C)C(=O)c3cccc1c23)S(=O)(=O)[O-],"InChI=1/C14H12N2O5S.Na/c1-15-12-7-4-3-5-8-11(7)9(6-10(12)22(19,20)21)14(18)16(2)13(8)17;/h3-6,15H,1-2H3,(H,19,20,21);/q;+1/p-1",C14H12N2O5S.Na,,,,,,CFCKKFCQAPDPGN-UHFFFAOYSA-M,,,,,,,,,,,
100.070.298,277-350-8,73287-51-1,6-amino-5-[[2-[(decylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-5-{[2-(decylsulfamoyl)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonic acid,CCCCCCCCCCNS(=O)(=O)c3ccccc3N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O,CCCCCCCCCCNS(=O)(=O)c3ccccc3N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O,"InChI=1/C26H34N4O6S2/c1-2-3-4-5-6-7-8-11-16-28-37(32,33)24-13-10-9-12-22(24)29-30-26-21(27)15-14-19-17-20(38(34,35)36)18-23(31)25(19)26/h9-10,12-15,17-18,28,31H,2-8,11,16,27H2,1H3,(H,34,35,36)",C26H34N4O6S2,,,,,,BRIXFSJPRLWHBH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.301,277-353-4,73287-54-4,"2,2'-[[3-acetamido-4-[(6-bromobenzothiazol-2-yl)azo]phenyl]imino]diethyl diacetate","({3-acetamido-4-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c3ccc(N=Nc1nc2ccc(Br)cc2s1)c(NC(C)=O)c3,CC(=O)OCCN(CCOC(C)=O)c3ccc(N=Nc1nc2ccc(Br)cc2s1)c(NC(C)=O)c3,"InChI=1/C23H24BrN5O5S/c1-14(30)25-21-13-18(29(8-10-33-15(2)31)9-11-34-16(3)32)5-7-19(21)27-28-23-26-20-6-4-17(24)12-22(20)35-23/h4-7,12-13H,8-11H2,1-3H3,(H,25,30)",C23H24BrN5O5S,,,,,,VVDSYYZNKFUVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.060,269-387-3,68227-76-9,N-[3-[bis[2-(2-cyanoethoxy)ethyl]amino]-4-methoxyphenyl]propionamide,N-(3-{bis[2-(2-cyanoethoxy)ethyl]amino}-4-methoxyphenyl)propanamide,CCC(=O)Nc1ccc(OC)c(c1)N(CCOCCC#N)CCOCCC#N,CCC(=O)Nc1ccc(OC)c(c1)N(CCOCCC#N)CCOCCC#N,"InChI=1/C20H28N4O4/c1-3-20(25)23-17-6-7-19(26-2)18(16-17)24(10-14-27-12-4-8-21)11-15-28-13-5-9-22/h6-7,16H,3-5,10-15H2,1-2H3,(H,23,25)",C20H28N4O4,,,,,,OSRSOGDOPCRKNP-UHFFFAOYSA-N,,,,,,,,,,,
100.063.062,269-389-4,68227-78-1,N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide,N-(5-chloro-2-methylphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide,Cc5ccc(Cl)cc5NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2OC)C(=O)Nc3ccccc3)c4O,Cc5ccc(Cl)cc5NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2OC)C(=O)Nc3ccccc3)c4O,"InChI=1/C32H25ClN4O4/c1-19-12-14-22(33)18-26(19)35-32(40)25-16-20-8-6-7-11-24(20)29(30(25)38)37-36-27-17-21(13-15-28(27)41-2)31(39)34-23-9-4-3-5-10-23/h3-18,38H,1-2H3,(H,34,39)(H,35,40)",C32H25ClN4O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11197,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.062,WWPCXBSKDSUELS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.077,269-406-5,68228-10-4,Diethylquinoline,"2,3-diethylquinoline",CCc1cc2ccccc2nc1CC,CCc1cc2ccccc2nc1CC,"InChI=1/C13H15N/c1-3-10-9-11-7-5-6-8-13(11)14-12(10)4-2/h5-9H,3-4H2,1-2H3",C13H15N,,,,,,ZHWSBRWJSHSNHL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.097,269-428-5,68239-14-5,Bis(cyclohexyldiethylammonium) glutarate,"bis(N,N-diethylcyclohexanaminium) glutarate",CC[NH+](CC)C1CCCCC1.CC[NH+](CC)C2CCCCC2.[O-]C(=O)CCCC(=O)[O-],CC[NH+](CC)C1CCCCC1.CC[NH+](CC)C2CCCCC2.[O-]C(=O)CCCC(=O)[O-],"InChI=1/2C10H21N.C5H8O4/c2*1-3-11(4-2)10-8-6-5-7-9-10;6-4(7)2-1-3-5(8)9/h2*10H,3-9H2,1-2H3;1-3H2,(H,6,7)(H,8,9)",C10H21N.1/2C5H8O4,,,,,,YDTAOVWOJNQMBD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.098,269-429-0,68239-15-6,"Succinic acid, compound with N,N-diethylcyclohexylamine (1:1)","N,N-diethylcyclohexanamine succinate",CCN(CC)C1CCCCC1.OC(=O)CCC(=O)O,CCN(CC)C1CCCCC1.OC(=O)CCC(=O)O,"InChI=1/C10H21N.C4H6O4/c1-3-11(4-2)10-8-6-5-7-9-10;5-3(6)1-2-4(7)8/h10H,3-9H2,1-2H3;1-2H2,(H,5,6)(H,7,8)",C10H21N.C4H6O4,,,,,,ZOXHYIJFQSNLSU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.901,251-606-9,33628-34-1,"Hexasodium 4,4'-bis[[2,6-bis(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","hexasodium 2,2'-ethene-1,2-diylbis[5-({2,6-bis[(4-sulfonatophenyl)amino]-1,2-dihydro-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC2=NC=NC(Nc3ccc(cc3)S(=O)(=O)[O-])(Nc4ccc(\\C=C\\c5ccc(NC6(Nc7ccc(cc7)S(=O)(=O)[O-])NC(=NC=N6)Nc8ccc(cc8)S(=O)(=O)[O-])cc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])N2)cc1,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC2=NC=NC(Nc3ccc(cc3)S(=O)(=O)[O-])(Nc4ccc(\C=C\c5ccc(NC6(Nc7ccc(cc7)S(=O)(=O)[O-])NC(=NC=N6)Nc8ccc(cc8)S(=O)(=O)[O-])cc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])N2)cc1,"InChI=1/C44H40N12O18S6.6Na/c57-75(58,59)35-15-7-29(8-16-35)49-41-45-25-47-43(55-41,51-31-11-19-37(20-12-31)77(63,64)65)53-33-5-3-27(39(23-33)79(69,70)71)1-2-28-4-6-34(24-40(28)80(72,73)74)54-44(52-32-13-21-38(22-14-32)78(66,67)68)48-26-46-42(56-44)50-30-9-17-36(18-10-30)76(60,61)62;;;;;;/h1-26,51-54H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,45,47,49,55)(H2,46,48,50,56);;;;;;/q;6*+1/p-6",C44H36N12O18S6.6Na,,,,,,QEZOVNDUKXREQV-IRTUOLCXSA-H,,,,,,,,,,,
100.070.499,277-572-5,73693-78-4,1-phenyl-7H-benz[de]anthracen-7-one,1-phenyl-7H-benzo[de]anthracen-7-one,O=C1c2ccccc2c3c(ccc4cccc1c34)c5ccccc5,O=C1c2ccccc2c3c(ccc4cccc1c34)c5ccccc5,InChI=1/C23H14O/c24-23-19-11-5-4-10-18(19)22-17(15-7-2-1-3-8-15)14-13-16-9-6-12-20(23)21(16)22/h1-14H,C23H14O,,,,,,LXKMGEHDGRTGNG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.629,277-715-1,74110-29-5,"2-[(2-cyanoethyl)[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-1-methylethyl acetate","2-[(2-cyanoethyl){4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}amino]-1-methylethyl acetate",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC#N)CC(C)OC(C)=O)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CCC#N)CC(C)OC(C)=O)[N+]([O-])=O,"InChI=1/C20H19Cl2N5O4/c1-13(31-14(2)28)12-26(9-3-8-23)16-6-4-15(5-7-16)24-25-20-18(21)10-17(27(29)30)11-19(20)22/h4-7,10-11,13H,3,9,12H2,1-2H3",C20H19Cl2N5O4,,,,,,VBCYEBODOBFAPI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.644,277-731-9,74129-06-9,8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl methyl ketone,1-(8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl)ethanone,CC(C)C1CC2C(CC1C=C2C)C(=O)C,CC(C)C1CC2C(CC1C=C2C)C(=O)C,"InChI=1/C14H22O/c1-8(2)12-7-13-9(3)5-11(12)6-14(13)10(4)15/h5,8,11-14H,6-7H2,1-4H3",C14H22O,,,,,,MUKZVYSKXMCCLW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.661,277-750-2,74186-12-2,4-[(4-chloro-2-methylphenyl)azo]-N-(2-ethylphenyl)-3-hydroxynaphthalene-2-carboxamide,4-[(4-chloro-2-methylphenyl)diazenyl]-N-(2-ethylphenyl)-3-hydroxy-2-naphthamide,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1CC)c2O)cc4,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1CC)c2O)cc4,"InChI=1/C26H22ClN3O2/c1-3-17-8-5-7-11-23(17)28-26(32)21-15-18-9-4-6-10-20(18)24(25(21)31)30-29-22-13-12-19(27)14-16(22)2/h4-15,31H,3H2,1-2H3,(H,28,32)",C26H22ClN3O2,,,,,,ORHMPQAJPKHWEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.663,277-752-3,74186-16-6,2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium hydrogen sulphate,"2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[H+].[O-]S([O-])(=O)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C19H23N4O2S.H2O4S.H2/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5(2,3)4;/h5-10,13,24H,4,11-12H2,1-3H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C19H23N4O2S.HO4S,,,,,,BFCKQDHEJXTQTK-UHFFFAOYSA-M,,,,,,,,,,,
100.049.195,254-133-6,38818-50-7,4-chloro-3-nitrobenzoyl chloride,4-chloro-3-nitrobenzoyl chloride,[O-][N+](=O)c1cc(ccc1Cl)C(=O)Cl,[O-][N+](=O)c1cc(ccc1Cl)C(=O)Cl,InChI=1/C7H3Cl2NO3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,C7H3Cl2NO3,,,,,,IWLGXPWQZDOMSB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.202,254-140-4,38827-35-9,"2,3,5-trichloro-4-(propylsulphonyl)pyridine","2,3,5-trichloro-4-(propylsulfonyl)pyridine",CCCS(=O)(=O)c1c(Cl)cnc(Cl)c1Cl,CCCS(=O)(=O)c1c(Cl)cnc(Cl)c1Cl,"InChI=1/C8H8Cl3NO2S/c1-2-3-15(13,14)7-5(9)4-12-8(11)6(7)10/h4H,2-3H2,1H3",C8H8Cl3NO2S,,,,,,HKOMCMOYGRBTIP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.206,254-145-1,38838-05-0,"Methyl 5-bromo-5-deoxy-2,3-O-isopropylidene-ß-D-ribofuranoside","methyl 5-bromo-5-deoxy-2,3-O-isopropylidene-beta-D-ribofuranoside",CO[C@@H]1O[C@H](CBr)[C@H]2OC(C)(C)O[C@@H]12,CO[C@@H]1O[C@H](CBr)[C@H]2OC(C)(C)O[C@@H]12,"InChI=1/C9H15BrO4/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8H,4H2,1-3H3",C9H15BrO4,,,,,,WAABJMSNMPZCDB-WCTZXXKLSA-N,,,,,,,,,,,
100.049.210,254-149-3,38845-47-5,"5-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium trichlorozincate(1-)","5-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium trichlorozincate(1-)",CN3/C=N\\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.Cl[Zn-](Cl)Cl,CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.Cl[Zn-](Cl)Cl,"InChI=1/C18H22N6.3ClH.Zn/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;;;;/h4-12,14,18H,13H2,1-3H3;3*1H;/q;;;;+2/p-2/rC18H22N6.Cl3Zn/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-4(2)3/h4-12,14,18H,13H2,1-3H3;/q;-1/p+1",C18H21N6.Cl3Zn,,,,,,LEQFLSMIOLELKR-UHFFFAOYSA-L,,,,,,,,,,,
100.049.212,254-151-4,38846-29-6,Bis(N-methylanilinium) sulphate,bis(N-methylanilinium) sulfate,C[NH2+]c1ccccc1.C[NH2+]c2ccccc2.[O-]S(=O)(=O)[O-],C[NH2+]c1ccccc1.C[NH2+]c2ccccc2.[O-]S(=O)(=O)[O-],"InChI=1/2C7H9N.H2O4S/c2*1-8-7-5-3-2-4-6-7;1-5(2,3)4/h2*2-6,8H,1H3;(H2,1,2,3,4)",C7H9N.1/2H2O4S,,,,,,GAEQQZIJYRWUCU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.828,282-338-0,84176-71-6,Ethyl 4-[2-(diethylamino)ethoxy]-4-phenylpiperidine-1-carboxylate,ethyl 4-[2-(diethylamino)ethoxy]-4-phenylpiperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)(OCCN(CC)CC)c2ccccc2,CCOC(=O)N1CCC(CC1)(OCCN(CC)CC)c2ccccc2,"InChI=1/C20H32N2O3/c1-4-21(5-2)16-17-25-20(18-10-8-7-9-11-18)12-14-22(15-13-20)19(23)24-6-3/h7-11H,4-6,12-17H2,1-3H3",C20H32N2O3,,,,,,LEJNAECTTDCOPF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.861,282-374-7,84195-68-6,"Tripotassium 1,1',1''-nitrilotris(ethanesulphonate)","tripotassium 1,1',1''-nitrilotriethanesulfonate",[K+].[K+].[K+].CC(N(C(C)S(=O)(=O)[O-])C(C)S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].[K+].[K+].CC(N(C(C)S(=O)(=O)[O-])C(C)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H15NO9S3.3K/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16;;;/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16);;;/q;3*+1/p-3",C6H15NO9S3.3K,,,,,,WLIOXCBCKHVPLL-UHFFFAOYSA-K,,,,,,,,,,,
100.074.863,282-376-8,84195-70-0,Sodium 1-aminoethanesulphonate,sodium 1-aminoethanesulfonate,[Na+].CC(N)S(=O)(=O)[O-],[Na+].CC(N)S(=O)(=O)[O-],"InChI=1/C2H7NO3S.Na/c1-2(3)7(4,5)6;/h2H,3H2,1H3,(H,4,5,6);/q;+1/p-1",C2H7NO3S.Na,,,,,,NSFYPZRDTCJZAS-UHFFFAOYSA-M,,,,,,,,,,,
100.074.865,282-378-9,84195-72-2,Sodium 1-aminoethanesulphinate,sodium 1-aminoethanesulfinate,[Na+].CC(N)S(=O)[O-],[Na+].CC(N)S(=O)[O-],"InChI=1/C2H7NO2S.Na/c1-2(3)6(4)5;/h2H,3H2,1H3,(H,4,5);/q;+1/p-1",C2H7NO2S.Na,,,,,,SPLFRNZYENMTIS-UHFFFAOYSA-M,,,,,,,,,,,
100.074.866,282-379-4,84195-73-3,Sodium aminomethanesulphinate,sodium aminomethanesulfinate,[Na+].NCS(=O)[O-],[Na+].NCS(=O)[O-],"InChI=1/CH5NO2S.Na/c2-1-5(3)4;/h1-2H2,(H,3,4);/q;+1/p-1",CH5NO2S.Na,,,,,,NJOYSONZACYNBD-UHFFFAOYSA-M,,,,,,,,,,,
100.076.869,284-586-5,84930-05-2,"2-[2-(oleoyloxy)ethyl]-1,4-butanediyl dioleate","3-[(oleoyloxy)methyl]pentane-1,5-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCCC(CCOC(=O)CCCCCCC\\C=C/CCCCCCCC)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCC(CCOC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C60H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(61)64-54-52-57(56-66-60(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-55-65-59(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,57H,4-24,31-56H2,1-3H3",C60H110O6,,,,,,JWKVQGPHFYAPAK-IUPFWZBJSA-N,,,,,,,,,,,
100.071.500,278-673-7,77365-26-5,"2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid","2-({6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)naphthalene-1,5-disulfonic acid",Nc1nc(nc(Cl)n1)N(C)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O,Nc1nc(nc(Cl)n1)N(C)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O,"InChI=1/C24H18ClN7O10S3/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29)",C24H18ClN7O10S3,,,,,,JTQUSZACCUVZLO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.518,278-693-6,77486-75-0,"Ethyl 5-[4-[(4,6-dichlorobenzothiazol-2-yl)azo]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate","({4-[(4,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}imino)diethane-2,1-diyl diethyl biscarbonate",CCOC(=O)OCCN(CCOC(=O)OCC)c1ccc(cc1)N=Nc3nc2c(cc(Cl)cc2Cl)s3,CCOC(=O)OCCN(CCOC(=O)OCC)c1ccc(cc1)N=Nc3nc2c(cc(Cl)cc2Cl)s3,"InChI=1/C23H24Cl2N4O6S/c1-3-32-22(30)34-11-9-29(10-12-35-23(31)33-4-2)17-7-5-16(6-8-17)27-28-21-26-20-18(25)13-15(24)14-19(20)36-21/h5-8,13-14H,3-4,9-12H2,1-2H3",C23H24Cl2N4O6S,,,,,,LQUPOQYOLNTQLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.520,278-695-7,77488-89-2,"N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyimino)ethyl]acetamide","N-(2,6-dimethylphenyl)-2-methoxy-N-[2-(methoxyimino)ethyl]acetamide",COCC(=O)N(CC=NOC)c1c(C)cccc1C,COCC(=O)N(CC=NOC)c1c(C)cccc1C,"InChI=1/C14H20N2O3/c1-11-6-5-7-12(2)14(11)16(9-8-15-19-4)13(17)10-18-3/h5-8H,9-10H2,1-4H3",C14H20N2O3,,,,,,UWODBPSYOQWRKP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.526,278-701-8,77498-98-7,2-phenyl-1H-imidazole-4-carboxylic acid,2-phenyl-1H-imidazole-4-carboxylic acid,OC(=O)c1c[nH]c(n1)c2ccccc2,OC(=O)c1c[nH]c(n1)c2ccccc2,"InChI=1/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)",C10H8N2O2,,,,,,XCAXKZJNJCKTQH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.527,278-702-3,77502-96-6,"4-(dimethylamino)-a,2-dimethylphenethylamine","4-(2-aminopropyl)-N,N,3-trimethylaniline",CC(N)Cc1ccc(cc1C)N(C)C,CC(N)Cc1ccc(cc1C)N(C)C,"InChI=1/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3",C12H20N2,,,,,,HFQMYSHATTXRTC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.529,278-704-4,77514-26-2,"Methyl 3,3-dimethyl-5-oxovalerate","methyl 3,3-dimethyl-5-oxopentanoate",COC(=O)CC(C)(C)CC=O,COC(=O)CC(C)(C)CC=O,"InChI=1/C8H14O3/c1-8(2,4-5-9)6-7(10)11-3/h5H,4,6H2,1-3H3",C8H14O3,,,,,,POSHLXMCOVQXJC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.815,280-119-4,83006-70-6,"Disodium 5-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthryl]amino]toluene-2,4-disulphonate","disodium 4-{[8-hydroxy-4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-6-methylbenzene-1,3-disulfonate",[Na+].[Na+].CC(C)Nc1ccc(Nc2cc(C)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c3C(=O)c4c(O)cccc4C(=O)c13,[Na+].[Na+].CC(C)Nc1ccc(Nc2cc(C)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c3C(=O)c4c(O)cccc4C(=O)c13,"InChI=1/C24H22N2O9S2.2Na/c1-11(2)25-14-7-8-15(22-21(14)23(28)13-5-4-6-17(27)20(13)24(22)29)26-16-9-12(3)18(36(30,31)32)10-19(16)37(33,34)35;;/h4-11,25-27H,1-3H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C24H22N2O9S2.2Na,,,,,,QNYHUAUSYFIOLZ-UHFFFAOYSA-L,,,,,,,,,,,
100.049.213,254-153-5,38848-02-1,Trisguanidinium phosphate,tris[amino(imino)methanaminium] phosphate,NC(=N)[NH3+].NC(=N)[NH3+].NC(=N)[NH3+].[O-]P(=O)([O-])[O-],NC(=N)[NH3+].NC(=N)[NH3+].NC(=N)[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/3CH5N3.H3O4P/c3*2-1(3)4;1-5(2,3)4/h3*(H5,2,3,4);(H3,1,2,3,4)",CH5N3.1/3H3O4P,,,,,,CJFCGSLFEZPBNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.217,254-157-7,38850-58-7,(2-hydroxyethyl)dimethyl[3-[(3-sulphopropyl)[(tridecafluorohexyl)sulphonyl]amino]propyl]ammonium hydroxide,"N-(2-hydroxyethyl)-N,N-dimethyl-3-{(3-sulfopropyl)[(tridecafluorohexyl)sulfonyl]amino}propan-1-aminium hydroxide",[OH-].C[N+](C)(CCO)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[OH-].C[N+](C)(CCO)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H23F13N2O6S2.H2O/c1-31(2,8-9-32)7-3-5-30(6-4-10-38(33,34)35)39(36,37)16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27;/h32H,3-10H2,1-2H3;1H2",C16H23F13N2O6S2,,,,,,ZWNVGTNTCUUIRA-UHFFFAOYSA-N,,,,,,,,,,,
100.049.224,254-165-0,38869-46-4,1-(4-chlorophenyl)piperazine dihydrochloride,1-(4-chlorophenyl)piperazine dihydrochloride,Cl.Cl.Clc1ccc(cc1)N2CCNCC2,Cl.Cl.Clc1ccc(cc1)N2CCNCC2,"InChI=1/C10H13ClN2.2ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2;2*1H",C10H13ClN2.2ClH,,,,,,ORKOLISAYPZGHP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.429,281-898-3,84057-81-8,Zirconium methacrylate,zirconium(2+) bis(2-methylacrylate),[Zr+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Zr+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Zr/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.xZr,,,,,,DXYMHGRYYDZAPO-UHFFFAOYSA-L,,,,,,,,,,,
100.074.431,281-900-2,84057-83-0,"Calcium bis[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate]","calcium bis[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate]",[Ca+2].CC1(C)C(C=C(Cl)Cl)C1C(=O)[O-].CC2(C)C(C=C(Cl)Cl)C2C(=O)[O-],[Ca+2].CC1(C)C(C=C(Cl)Cl)C1C(=O)[O-].CC2(C)C(C=C(Cl)Cl)C2C(=O)[O-],"InChI=1/2C8H10Cl2O2.Ca/c2*1-8(2)4(3-5(9)10)6(8)7(11)12;/h2*3-4,6H,1-2H3,(H,11,12);/q;;+2/p-2",C8H10Cl2O2.1/2Ca,,,,,,MSWWAPQUVTXVMB-UHFFFAOYSA-L,,,,,,,,,,,
100.074.433,281-902-3,84057-85-2,Thallium triarsenide,thallium(1+) diarsanylidenearsenate(1-),[Tl+].[AsH2][As]=[AsH2-],[Tl+].[AsH2][As]=[AsH2-],InChI=1/As3H4.Tl/c1-3-2;/h1-2H2;/q-1;+1,AsTl3,,,,,,UVGDZGFKEKTIEN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.903,251-609-5,33632-27-8,1-acetyl-5-nitroindoline,1-acetyl-5-nitroindoline,CC(=O)N1CCc2cc(ccc12)[N+](=O)[O-],CC(=O)N1CCc2cc(ccc12)[N+](=O)[O-],"InChI=1/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3",C10H10N2O3,,,,,,OJKKTNFCWMBYMT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.915,251-622-6,33665-90-6,Acesulfame,"6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide",CC1=CC(=O)NS(=O)(=O)O1,CC1=CC(=O)NS(=O)(=O)O1,"InChI=1/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)",C4H5NO4S,,,,,,YGCFIWIQZPHFLU-UHFFFAOYSA-N,Negative,,,,,,EA275651|EA275652|EA275653|EA275654|EA275655|EA275656|EA275657|EA275658|EA275659|EA275660|EA275661|EA275662|EA275663|EA275664,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,82.0299:161.987:101.9656|161.9868:82.0298|161.9868:82.0299:77.9655|82.0299:161.9867:77.9654|82.0299:77.9655:161.9863|82.0299:77.9656|82.0299:77.9656|161.9868:82.0298|161.9868:82.0299:77.9653|82.0299:161.9866:77.9655|82.0299:77.9655:161.9866|82.0298:77.9655:70.0298|82.0298:77.9655|82.0299:161.9866:101.9655,Eawag
100.046.930,251-638-3,33693-48-0,4-benzyloxy-3-methoxybenzyl alcohol,[4-(benzyloxy)-3-methoxyphenyl]methanol,COc1cc(CO)ccc1OCc2ccccc2,COc1cc(CO)ccc1OCc2ccccc2,"InChI=1/C15H16O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3",C15H16O3,,,,,,PDBXFVPMVYQICB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.932,251-640-4,33695-57-7,Indan-1-carboxamide,indane-1-carboxamide,NC(=O)C1CCc2ccccc12,NC(=O)C1CCc2ccccc12,"InChI=1/C10H11NO/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H2,11,12)",C10H11NO,,,,,,DZGMFITYAJIDHR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.943,251-653-5,33718-79-5,Methyl 3-methyl-2-[2-[(3-methyl-5-phenyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-phenylbenzoxazolium sulphate,"3-methyl-2-{2-[(3-methyl-5-phenyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-phenyl-1,3-benzoxazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.C[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2C)c3ccccc3)c6ccccc6,[O-]S(=O)(=O)OC.C[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2C)c3ccccc3)c6ccccc6,"InChI=1/C33H29N2O2.CH4O4S/c1-4-23(19-32-34(2)28-21-26(15-17-30(28)36-32)24-11-7-5-8-12-24)20-33-35(3)29-22-27(16-18-31(29)37-33)25-13-9-6-10-14-25;1-5-6(2,3)4/h5-22H,4H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C33H29N2O2.CH3O4S,,,,,,RBEPIPBRHUKJDR-UHFFFAOYSA-M,,,,,,,,,,,
100.070.685,277-776-4,74220-53-4,p-[[(4-chlorobutyl)sulphonyl]amino]benzenesulphonamide,4-{[(4-chlorobutyl)sulfonyl]amino}benzenesulfonamide,NS(=O)(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1,NS(=O)(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1,"InChI=1/C10H15ClN2O4S2/c11-7-1-2-8-18(14,15)13-9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,1-2,7-8H2,(H2,12,16,17)",C10H15ClN2O4S2,,,,,,JAWCYQCOPVFEDM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.696,277-789-5,74256-14-7,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C17H9F23O2/c1-5(2)6(41)42-4-3-7(18,19)9(21,22)11(25,26)13(29,30)15(33,34)14(31,32)12(27,28)10(23,24)8(20,16(35,36)37)17(38,39)40/h1,3-4H2,2H3",C17H9F23O2,,,,,,PVMWMBHAEVDBQR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.052,281-483-7,83950-32-7,"Bis[[4-[[4-(diethylamino)phenyl][4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]ethyl(2-hydroxyethyl)ammonium] sulphate","bis{N-[4-([4-(diethylamino)phenyl]{4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl}methylene)-3-methylcyclohexa-2,5-dien-1-ylidene]-N-ethyl-2-hydroxyethanaminium} sulfate",[O-]S([O-])(=O)=O.CCN(CC)c1ccc(cc1)C(c2ccc(cc2C)N(CC)CCO)=C3/C=C\\C(\\C=C3\\C)=[N+](CC)CCO.C\\C3=C\\C(\\C=C/C3=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(CC)CCO)=[N+](CCO)CC,[O-]S([O-])(=O)=O.CCN(CC)c1ccc(cc1)C(c2ccc(cc2C)N(CC)CCO)=C3/C=C\C(\C=C3\C)=[N+](CC)CCO.C\C3=C\C(\C=C/C3=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(CC)CCO)=[N+](CCO)CC,"InChI=1/2C33H46N3O2.H2O4S/c2*1-7-34(8-2)28-13-11-27(12-14-28)33(31-17-15-29(23-25(31)5)35(9-3)19-21-37)32-18-16-30(24-26(32)6)36(10-4)20-22-38;1-5(2,3)4/h2*11-18,23-24,37-38H,7-10,19-22H2,1-6H3;(H2,1,2,3,4)/q2*+1;/p-2",C33H46N3O2.1/2O4S,,,,,,LUWPGRFLCFZOQZ-UHFFFAOYSA-L,,,,,,,,,,,
100.074.055,281-486-3,83950-36-1,"Bis[[4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium] sulphate","bis{N-[4-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}[4-(dimethylamino)phenyl]methylene)cyclohexa-2,5-dien-1-ylidene]-N-methylmethanaminium} sulfate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(CCO)CCO.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccc(cc6C)N(CCO)CCO.[O-]S(=O)(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(CCO)CCO.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccc(cc6C)N(CCO)CCO.[O-]S(=O)(=O)[O-],"InChI=1/2C28H36N3O2.H2O4S/c2*1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5;1-5(2,3)4/h2*6-15,20,32-33H,16-19H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2",C28H36N3O2.1/2O4S,,,,,,XJCMHWUBWSQOEO-UHFFFAOYSA-L,,,,,,,,,,,
100.075.952,283-577-3,84682-16-6,"3,4,5,6-tetramethylocta-3,5-dien-2-one","3,4,5,6-tetramethylocta-3,5-dien-2-one",CC(=O)C(C)=C(C)C(C)=C(C)CC,CC(=O)C(C)=C(C)C(C)=C(C)CC,"InChI=1/C12H20O/c1-7-8(2)9(3)10(4)11(5)12(6)13/h7H2,1-6H3",C12H20O,,,,,,FRZSBCAQKUEFDA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.954,283-579-4,84682-18-8,p-(isopentyl)benzaldehyde,4-(3-methylbutyl)benzaldehyde,CC(C)CCc1ccc(C=O)cc1,CC(C)CCc1ccc(C=O)cc1,"InChI=1/C12H16O/c1-10(2)3-4-11-5-7-12(9-13)8-6-11/h5-10H,3-4H2,1-2H3",C12H16O,,,,,,HWVKHXKLEJRRJU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.959,283-585-7,84682-23-5,"2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol","[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol",OCC1COC(Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl,OCC1COC(Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl,"InChI=1/C14H14Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,9,11,19H,6-8H2",C14H14Cl2N2O3,,,,,,VJZJGRMLFMJRGG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.964,283-590-4,84682-28-0,"3-ethyl-3-phenylpentane-1,5-diol","3-ethyl-3-phenylpentane-1,5-diol",CCC(CCO)(CCO)c1ccccc1,CCC(CCO)(CCO)c1ccccc1,"InChI=1/C13H20O2/c1-2-13(8-10-14,9-11-15)12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3",C13H20O2,,,,,,JDYDBAVDWRWTCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.965,283-592-5,84682-29-1,3-chloro-3-(4-chlorophenyl)methacrylaldehyde,3-chloro-3-(4-chlorophenyl)-2-methylacrylaldehyde,C\\C(=C(\\Cl)/c1ccc(Cl)cc1)\\C=O,C\C(=C(\Cl)/c1ccc(Cl)cc1)\C=O,"InChI=1/C10H8Cl2O/c1-7(6-13)10(12)8-2-4-9(11)5-3-8/h2-6H,1H3",C10H8Cl2O,,,,,,BHJZUQREERYDNK-YFHOEESVSA-N,,,,,,,,,,,
100.075.971,283-598-8,84682-35-9,Methyl 2-[(dimethoxymethylsilyl)oxy]benzoate,methyl 2-{[dimethoxy(methyl)silyl]oxy}benzoate,COC(=O)c1ccccc1O[Si](C)(OC)OC,COC(=O)c1ccccc1O[Si](C)(OC)OC,"InChI=1/C11H16O5Si/c1-13-11(12)9-7-5-6-8-10(9)16-17(4,14-2)15-3/h5-8H,1-4H3",C11H16O5Si,,,,,,QTPRCMMBZZJLSB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.976,283-603-3,84682-40-6,"11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 11,21-di(acetate)","16-methyl-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]2(C)[C@H]1C(=O)COC(=O)C)OC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]2(C)[C@H]1C(=O)COC(=O)C)OC(=O)C,"InChI=1/C26H34O6/c1-14-10-20-19-7-6-17-11-18(29)8-9-25(17,4)24(19)22(32-16(3)28)12-26(20,5)23(14)21(30)13-31-15(2)27/h8-9,11,14,19-20,22-24H,6-7,10,12-13H2,1-5H3",C26H34O6,,,,,,DZJOCIZYNQZSAL-VZKQCUHKSA-N,,,,,,,,,,,
100.075.984,283-612-2,84682-75-7,Digadolinium trimagnesium dodecanitrate,digadolinium trimagnesium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[Gd+3].[Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[Gd+3].[Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2Gd.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1,Gd.6HNO3.3/2Mg,,,,,,UWFHODJHLSGHJM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.323,277-378-0,73309-51-0,Sodium diethyl 2-[(2-amino-8-hydroxy-6-sulphonatonaphthyl)azo]terephthalate,"sodium 6-amino-5-{[2,5-bis(ethoxycarbonyl)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate",[Na+].CCOC(=O)c3cc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(cc3)C(=O)OCC,[Na+].CCOC(=O)c3cc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(cc3)C(=O)OCC,"InChI=1/C22H21N3O8S.Na/c1-3-32-21(27)13-5-7-15(22(28)33-4-2)17(10-13)24-25-20-16(23)8-6-12-9-14(34(29,30)31)11-18(26)19(12)20;/h5-11,26H,3-4,23H2,1-2H3,(H,29,30,31);/q;+1/p-1",C22H21N3O8S.Na,,,,,,OGANMMJCDWWWJR-UHFFFAOYSA-M,,,,,,,,,,,
100.070.329,277-384-3,73324-20-6,Calcium tetrahydrogen hexalactate,calcium tetrahydrogen hexakis(2-hydroxypropanoate),[Ca+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],[Ca+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-],"InChI=1/6C3H6O3.Ca/c6*1-2(4)3(5)6;/h6*2,4H,1H3,(H,5,6);/q;;;;;;+2/p-6",C3H6O3.1/6Ca,,,,,,ODFLPJQZKLTBIH-UHFFFAOYSA-H,,,,,,,,,,,
100.049.218,254-158-2,38850-60-1,3-[[3-(dimethylamino)propyl][(tridecafluorohexyl)sulphonyl]amino]propanesulphonic acid,3-{[3-(dimethylamino)propyl][(tridecafluorohexyl)sulfonyl]amino}propane-1-sulfonic acid,CN(C)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H19F13N2O5S2/c1-28(2)5-3-6-29(7-4-8-35(30,31)32)36(33,34)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h3-8H2,1-2H3,(H,30,31,32)",C14H19F13N2O5S2,,,,,,XXEJCEXMBHWWLY-UHFFFAOYSA-N,,,,,,,,,,,
100.049.225,254-166-6,38869-47-5,"1-(4-methoxyphenyl)piperazine-1,4-diylium dichloride",1-(4-methoxyphenyl)piperazinediium dichloride,[Cl-].[Cl-].COc1ccc(cc1)[NH+]2CC[NH2+]CC2,[Cl-].[Cl-].COc1ccc(cc1)[NH+]2CC[NH2+]CC2,"InChI=1/C11H16N2O.2ClH/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H",C11H16N2O.2ClH,,,,,,MMXANKLJIHSIQH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.226,254-167-1,38869-49-7,1-(2-methoxyphenyl)piperazine dihydrochloride,1-(2-methoxyphenyl)piperazine dihydrochloride,Cl.Cl.COc1ccccc1N2CCNCC2,Cl.Cl.COc1ccccc1N2CCNCC2,"InChI=1/C11H16N2O.2ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H",C11H16N2O.2ClH,,,,,,ZGWQDMTYAQEMHA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.428,281-897-8,84057-80-7,Zirconium propionate,zirconium(2+) dipropanoate,[Zr+2].CCC(=O)[O-].CCC(=O)[O-],[Zr+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Zr/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.xZr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10222,https://echa.europa.eu/substance-information/-/substanceinfo/100.074.428,RNKBYAOGAVDBOB-UHFFFAOYSA-L,,,,,,,,,,,
100.046.905,251-611-6,33637-20-6,Tetraethylbenzene,"1,2,3,4-tetraethylbenzene",CCc1ccc(CC)c(CC)c1CC,CCc1ccc(CC)c(CC)c1CC,"InChI=1/C14H22/c1-5-11-9-10-12(6-2)14(8-4)13(11)7-3/h9-10H,5-8H2,1-4H3",C14H22,,,,,,FEWANSQOXSIFOK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.907,251-613-7,33641-61-1,Sulphinylbis(diethylamide),"N,N,N',N'-tetraethylsulfurous diamide",CCN(CC)S(=O)N(CC)CC,CCN(CC)S(=O)N(CC)CC,"InChI=1/C8H20N2OS/c1-5-9(6-2)12(11)10(7-3)8-4/h5-8H2,1-4H3",C8H20N2OS,,,,,,BVVRZSKVUVJJAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.912,251-618-4,33662-58-7,"Methyl 2,4-dihydroxy-m-toluate","methyl 2,4-dihydroxy-3-methylbenzoate",COC(=O)c1ccc(O)c(C)c1O,COC(=O)c1ccc(O)c(C)c1O,"InChI=1/C9H10O4/c1-5-7(10)4-3-6(8(5)11)9(12)13-2/h3-4,10-11H,1-2H3",C9H10O4,,,,,,GDNUTKRFRLPQAB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.913,251-620-5,33663-41-1,"2,5-dichloroanilinium chloride","2,5-dichloroanilinium chloride",[Cl-].[NH3+]c1cc(Cl)ccc1Cl,[Cl-].[NH3+]c1cc(Cl)ccc1Cl,"InChI=1/C6H5Cl2N.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3H,9H2;1H",C6H5Cl2N.ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7876,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.913,ZALVJCYWUBQENP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.917,251-624-7,33667-48-0,Tris(2-hydroxyethyl)methylammonium hydroxide,"2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methylethanaminium hydroxide",[OH-].C[N+](CCO)(CCO)CCO,[OH-].C[N+](CCO)(CCO)CCO,"InChI=1/C7H18NO3.H2O/c1-8(2-5-9,3-6-10)4-7-11;/h9-11H,2-7H2,1H3;1H2/q+1;/p-1",C7H18NO3.HO,,,,,,IJGSGCGKAAXRSC-UHFFFAOYSA-M,,,,,,,,,,,
100.046.921,251-628-9,33672-51-4,Isopropyl propyl disulphide,1-(isopropyldisulfanyl)propane,CCCSSC(C)C,CCCSSC(C)C,"InChI=1/C6H14S2/c1-4-5-7-8-6(2)3/h6H,4-5H2,1-3H3",C6H14S2,,,,,,YCBVTHJPQCNICU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.923,251-631-5,33673-65-3,"1,1-bis(hexyloxy)hexane","1,1-bis(hexyloxy)hexane",CCCCCCOC(CCCCC)OCCCCCC,CCCCCCOC(CCCCC)OCCCCCC,"InChI=1/C18H38O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h18H,4-17H2,1-3H3",C18H38O2,,,,,,JAMIQGJXDPTFJL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.927,251-635-7,33687-03-5,"5-[4-(3-ethylnaphtho[2,1-d]thiazol-2(3H)-ylidene)-2-butenylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-2-one","5-[4-(3-ethylnaphtho[2,1-d][1,3]thiazol-2(3H)-ylidene)but-2-en-1-ylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one",CCCCCCCN1C(=S)N(C(=CC=CC=C2Sc3c(ccc4ccccc34)N2CC)C1=O)c5ccccc5,CCCCCCCN1C(=S)N(C(=CC=CC=C2Sc3c(ccc4ccccc34)N2CC)C1=O)c5ccccc5,"InChI=1/C33H35N3OS2/c1-3-5-6-7-15-24-35-32(37)29(36(33(35)38)26-17-9-8-10-18-26)20-13-14-21-30-34(4-2)28-23-22-25-16-11-12-19-27(25)31(28)39-30/h8-14,16-23H,3-7,15,24H2,1-2H3",C33H35N3OS2,,,,,,WWIBWTBIRUETRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.928,251-636-2,33689-83-7,Methylamine sulphate (2:1),-,CN.CN.[O-]S(=O)(=O)[O-],CN.CN.[O-]S(=O)(=O)[O-],"InChI=1/2CH5N.H2O4S/c2*1-2;1-5(2,3)4/h2*2H2,1H3;(H2,1,2,3,4)/p-2",CH5N.1/2H2O4S,,,,,,NQNOMXXYKHWVKR-UHFFFAOYSA-L,,,,,,,,,,,
100.046.929,251-637-8,33693-04-8,Terbumeton,"N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine",CCNc1nc(NC(C)(C)C)nc(OC)n1,CCNc1nc(NC(C)(C)C)nc(OC)n1,"InChI=1/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",C10H19N5O,,,,,,BCQMBFHBDZVHKU-UHFFFAOYSA-N,Positive,EA034601|EA034602|EA034603|EA034604|EA034605|EA034606|EA034607|EA034608|EA034609|EA034610|EA034611|EA034612|EA034613|EA034614,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,170.1039:114.0667:142.0719|226.1665|226.1664:170.1038|170.1039:226.1664:142.0724|170.1039:142.0725:114.0663|170.1035:142.0724:100.0506|100.0506:69.0084:75.0553|226.1664:170.1037|226.1665:170.1039|170.1039:226.1664:142.0724|170.1038:142.0725:114.0663|170.1037:142.0724:100.0506|100.0506:69.0084:75.0553|170.1038:114.0662:226.167,Eawag,,,,,
100.046.934,251-643-0,33697-81-3,m-chloro-p-hydroxyphenylacetic acid,(3-chloro-4-hydroxyphenyl)acetic acid,OC(=O)Cc1ccc(O)c(Cl)c1,OC(=O)Cc1ccc(O)c(Cl)c1,"InChI=1/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)",C8H7ClO3,,,,,,IYTUKSIOQKTZEG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.816,280-121-5,83006-71-7,"Trisodium 5-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-7-sulphonato-1-anthryl]amino]toluene-2,4-disulphonate","trisodium 4-{[8-hydroxy-4-(isopropylamino)-9,10-dioxo-7-sulfonato-9,10-dihydroanthracen-1-yl]amino}-6-methylbenzene-1,3-disulfonate",[Na+].[Na+].[Na+].CC(C)Nc1ccc(Nc2cc(C)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c3C(=O)c4c(O)c(ccc4C(=O)c13)S(=O)(=O)[O-],[Na+].[Na+].[Na+].CC(C)Nc1ccc(Nc2cc(C)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c3C(=O)c4c(O)c(ccc4C(=O)c13)S(=O)(=O)[O-],"InChI=1/C24H22N2O12S3.3Na/c1-10(2)25-13-5-6-14(26-15-8-11(3)17(40(33,34)35)9-18(15)41(36,37)38)21-20(13)22(27)12-4-7-16(39(30,31)32)23(28)19(12)24(21)29;;;/h4-10,25-26,28H,1-3H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",C24H22N2O12S3.3Na,,,,,,YLTPVZFXOWMUGN-UHFFFAOYSA-K,,,,,,,,,,,
100.072.817,280-122-0,83006-72-8,"Sodium 3-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]toluene-4-sulphonate","sodium 2-{[8-hydroxy-4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-4-methylbenzenesulfonate",[Na+].CC(C)Nc1ccc(Nc2cc(C)ccc2S(=O)(=O)[O-])c3C(=O)c4c(O)cccc4C(=O)c13,[Na+].CC(C)Nc1ccc(Nc2cc(C)ccc2S(=O)(=O)[O-])c3C(=O)c4c(O)cccc4C(=O)c13,"InChI=1/C24H22N2O6S.Na/c1-12(2)25-15-8-9-16(26-17-11-13(3)7-10-19(17)33(30,31)32)22-21(15)23(28)14-5-4-6-18(27)20(14)24(22)29;/h4-12,25-27H,1-3H3,(H,30,31,32);/q;+1/p-1",C24H22N2O6S.Na,,,,,,ZLPBMRAPIWOTLN-UHFFFAOYSA-M,,,,,,,,,,,
100.072.826,280-132-5,83012-13-9,"4-chloro-2,8-bis(trifluoromethyl)quinoline","4-chloro-2,8-bis(trifluoromethyl)quinoline",FC(F)(F)c1cc(Cl)c2cccc(c2n1)C(F)(F)F,FC(F)(F)c1cc(Cl)c2cccc(c2n1)C(F)(F)F,"InChI=1/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H",C11H4ClF6N,,,,,,ZSQOESPYYNJBCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.831,280-137-2,83027-35-4,"Sodium 5-cyclohexyl-2-[[4-[(4-cyclohexylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]benzenesulphonate","sodium 5-cyclohexyl-2-({4-[(4-cyclohexylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(ccc1Nc2ccc(Nc3ccc(cc3)C4CCCCC4)c5C(=O)c6ccccc6C(=O)c25)C7CCCCC7,[Na+].[O-]S(=O)(=O)c1cc(ccc1Nc2ccc(Nc3ccc(cc3)C4CCCCC4)c5C(=O)c6ccccc6C(=O)c25)C7CCCCC7,"InChI=1/C38H38N2O5S.Na/c41-37-29-13-7-8-14-30(29)38(42)36-33(40-31-20-17-27(23-34(31)46(43,44)45)25-11-5-2-6-12-25)22-21-32(35(36)37)39-28-18-15-26(16-19-28)24-9-3-1-4-10-24;/h7-8,13-25,39-40H,1-6,9-12H2,(H,43,44,45);/q;+1/p-1",C38H38N2O5S.Na,,,,,,APDBCWHOFJTMGH-UHFFFAOYSA-M,,,,,,,,,,,
100.074.688,282-182-3,84110-48-5,"Hydrogen 7-phenyl-5,9-bis(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with nonadecan-10-amine (1:1)","hydrogen 5,9-dianilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate - nonadecan-10-amine (1:1)",CCCCCCCCCC(N)CCCCCCCCC.[O-]S(=O)(=O)c1cccc2c3nc4cc(c(Nc5ccccc5)cc4[n+](c6ccccc6)c3cc(Nc7ccccc7)c12)S(=O)(=O)[O-],CCCCCCCCCC(N)CCCCCCCCC.[O-]S(=O)(=O)c1cccc2c3nc4cc(c(Nc5ccccc5)cc4[n+](c6ccccc6)c3cc(Nc7ccccc7)c12)S(=O)(=O)[O-],"InChI=1/C34H24N4O6S2.C19H41N/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24;1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h1-21H,(H3,35,36,39,40,41,42,43,44);19H,3-18,20H2,1-2H3/p-1",C34H24N4O6S2.C19H41N,,,,,,HWBKSQHSTKJRFU-UHFFFAOYSA-M,,,,,,,,,,,
100.074.697,282-192-8,84129-84-0,"12,13-didehydro-12,24-secostrychnidin-10-one monohydrochloride","14-(2-hydroxyethylidene)-2,3,10,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one hydrochloride",Cl.O=C6C\\C=C4/[C@@H]5N6c1ccccc1[C@@]53CCN2CC(=CCO)[C@@H]4C[C@H]23,Cl.O=C6C\C=C4/[C@@H]5N6c1ccccc1[C@@]53CCN2CC(=CCO)[C@@H]4C[C@H]23,"InChI=1/C21H22N2O2.ClH/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22;/h1-5,7,15,18,20,24H,6,8-12H2;1H",C21H22N2O2.ClH,,,,,,HRVDQRLZRUMQBE-LDGLRJDBSA-N,,,,,,,,,,,
100.077.500,285-280-4,85050-09-5,"1,1'-[oxybis(ethyleneoxyethylene)]dipyridinium bis(toluene-p-sulphonate)","1,1'-[oxybis(ethane-2,1-diyloxyethane-2,1-diyl)]dipyridinium bis(4-methylbenzenesulfonate)",Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].C(COCC[n+]3ccccc3)OCCOCC[n+]4ccccc4,Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].C(COCC[n+]3ccccc3)OCCOCC[n+]4ccccc4,"InChI=1/C18H26N2O3.2C7H8O3S/c1-3-7-19(8-4-1)11-13-21-15-17-23-18-16-22-14-12-20-9-5-2-6-10-20;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11-18H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2",C18H26N2O3.2C7H7O3S,,,,,,PSVZOTISEVMEGP-UHFFFAOYSA-L,,,,,,,,,,,
100.077.503,285-284-6,85050-12-0,"a,3,3-trimethyl-a-vinylbicyclo[2.2.1]hept-5-ene-2-methanol","2-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)but-3-en-2-ol",CC(O)(C=C)C1C2CC(C=C2)C1(C)C,CC(O)(C=C)C1C2CC(C=C2)C1(C)C,"InChI=1/C13H20O/c1-5-13(4,14)11-9-6-7-10(8-9)12(11,2)3/h5-7,9-11,14H,1,8H2,2-4H3",C13H20O,,,,,,VNRPVAMHSZBGBD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.510,285-291-4,85068-30-0,"2',4'-difluoropropiophenone","1-(2,4-difluorophenyl)propan-1-one",CCC(=O)c1ccc(F)cc1F,CCC(=O)c1ccc(F)cc1F,"InChI=1/C9H8F2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3",C9H8F2O,,,,,,UZWOADNMVRRYDE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.513,285-295-6,85068-33-3,"3,5-bis(trifluoromethyl)phenylacetic acid","[3,5-bis(trifluoromethyl)phenyl]acetic acid",OC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F,OC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F,"InChI=1/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)",C10H6F6O2,,,,,,PAWSKKHEEYTXSA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.702,277-795-8,74263-51-7,"1,4-dihydro-3,5-diiodo-4-oxopyridine-2,6-dicarboxylic acid","3,5-diiodo-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid",OC(=O)C1=C(I)C(=O)C(=C(N1)C(=O)O)I,OC(=O)C1=C(I)C(=O)C(=C(N1)C(=O)O)I,"InChI=1/C7H3I2NO5/c8-1-3(6(12)13)10-4(7(14)15)2(9)5(1)11/h(H,10,11)(H,12,13)(H,14,15)",C7H3I2NO5,,,,,,HXICYCRHINUFJM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.704,277-797-9,74271-42-4,5-benzyl-3-methylpyridine,3-benzyl-5-methylpyridine,Cc1cncc(Cc2ccccc2)c1,Cc1cncc(Cc2ccccc2)c1,"InChI=1/C13H13N/c1-11-7-13(10-14-9-11)8-12-5-3-2-4-6-12/h2-7,9-10H,8H2,1H3",C13H13N,,,,,,UCWQMPICSBZRLS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.233,254-175-5,38880-20-5,"3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)phthalide","3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one",CCOc1cc(ccc1C2(OC(=O)c3ccccc23)c4c(C)n(C)c5ccccc45)N(CC)CC,CCOc1cc(ccc1C2(OC(=O)c3ccccc23)c4c(C)n(C)c5ccccc45)N(CC)CC,"InChI=1/C30H32N2O3/c1-6-32(7-2)21-17-18-25(27(19-21)34-8-3)30(24-15-11-9-13-22(24)29(33)35-30)28-20(4)31(5)26-16-12-10-14-23(26)28/h9-19H,6-8H2,1-5H3",C30H32N2O3,,,,,,ZBMDFKAEMYQIHN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.235,254-177-6,38884-66-1,Sucrose heptapalmitate,"1,3,4,6-tetra-O-palmitoyl-beta-D-fructofuranosyl 2,3,4-tri-O-palmitoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C124H232O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-92-99-111(126)133-107-110-119(137-114(129)102-95-88-81-74-67-60-53-46-39-32-25-18-11-4)122(140-117(132)105-98-91-84-77-70-63-56-49-42-35-28-21-14-7)124(141-110,108-134-112(127)100-93-86-79-72-65-58-51-44-37-30-23-16-9-2)142-123-121(139-116(131)104-97-90-83-76-69-62-55-48-41-34-27-20-13-6)120(138-115(130)103-96-89-82-75-68-61-54-47-40-33-26-19-12-5)118(109(106-125)135-123)136-113(128)101-94-87-80-73-66-59-52-45-38-31-24-17-10-3/h109-110,118-123,125H,8-108H2,1-7H3",C124H232O18,,,,,,ZVQUPBKQELCYRA-IWXMHAAESA-N,,,,,,,,,,,
100.049.240,254-182-3,38895-96-4,"2,3-dibromo-3-(4-nitrophenyl)propiophenone","2,3-dibromo-3-(4-nitrophenyl)-1-phenylpropan-1-one",[O-][N+](=O)c1ccc(cc1)C(Br)C(Br)C(=O)c2ccccc2,[O-][N+](=O)c1ccc(cc1)C(Br)C(Br)C(=O)c2ccccc2,"InChI=1/C15H11Br2NO3/c16-13(10-6-8-12(9-7-10)18(20)21)14(17)15(19)11-4-2-1-3-5-11/h1-9,13-14H",C15H11Br2NO3,,,,,,RECMEXFQKOOMMK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.244,254-187-0,38916-42-6,Tetrasodium N-(3-carboxylato-1-oxo-3-sulphonatopropyl)-N-octadecyl-DL-aspartate,tetrasodium 2-[(3-carboxylato-3-sulfonatopropanoyl)(octadecyl)amino]succinate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)N(CCCCCCCCCCCCCCCCCC)[C@@H](CC([O-])=O)C([O-])=O)C(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)N(CCCCCCCCCCCCCCCCCC)[C@@H](CC([O-])=O)C([O-])=O)C(=O)[O-],"InChI=1/C26H47NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37;;;;/h21-22H,2-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4",C26H47NO10S.4Na,,,,,,XZPMQCKVOWVETG-WZJRWHPNSA-J,,,,,,,,,,,
100.050.751,255-846-5,42486-53-3,"4-amino-2,6-dichlorophenol hydrochloride","4-amino-2,6-dichlorophenol hydrochloride",Cl.Nc1cc(Cl)c(O)c(Cl)c1,Cl.Nc1cc(Cl)c(O)c(Cl)c1,"InChI=1/C6H5Cl2NO.ClH/c7-4-1-3(9)2-5(8)6(4)10;/h1-2,10H,9H2;1H",C6H5Cl2NO.ClH,,,,,,KCZRBWLAYMSXIU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.755,255-850-7,42489-57-6,1-chloro-2-(1-methylethoxy)benzene,1-chloro-2-isopropoxybenzene,CC(C)Oc1ccccc1Cl,CC(C)Oc1ccccc1Cl,"InChI=1/C9H11ClO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,1-2H3",C9H11ClO,,,,,,JJOKVZBVPCSGJM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.757,255-852-8,42492-95-5,(±)-2-hydroxypropiononitrile,2-hydroxypropanenitrile,CC(O)C#N,CC(O)C#N,"InChI=1/C3H5NO/c1-3(5)2-4/h3,5H,1H3",C3H5NO,,,,,,WOFDVDFSGLBFAC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.758,255-853-3,42498-58-8,"2,3,5,6-tetrahydro-2-methylphthalic anhydride","3a-methylhexahydro-2-benzofuran-1,3-dione",CC12CCCCC1C(=O)OC2=O,CC12CCCCC1C(=O)OC2=O,"InChI=1/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3",C9H10O3,,,,,,VYKXQOYUCMREIS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.760,255-855-4,42505-79-3,"1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazinium methanesulphonate","1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazin-1-ium methanesulfonate",CN1CC[NH+](CC1)C2Cc3ccccc3Sc4ccc(Cl)cc24.CS(=O)(=O)[O-],CN1CC[NH+](CC1)C2Cc3ccccc3Sc4ccc(Cl)cc24.CS(=O)(=O)[O-],"InChI=1/C19H21ClN2S.CH4O3S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;1-5(2,3)4/h2-7,13,17H,8-12H2,1H3;1H3,(H,2,3,4)",C19H21ClN2S.CH4O3S,,,,,,XQRUOHZMMIUQSB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.769,255-865-9,42514-50-1,3-amino-3-methylbutan-1-ol,3-amino-3-methylbutan-1-ol,CC(C)(N)CCO,CC(C)(N)CCO,"InChI=1/C5H13NO/c1-5(2,6)3-4-7/h7H,3-4,6H2,1-2H3",C5H13NO,,,,,,PHRHXTTZZWUGNN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.770,255-866-4,42520-76-3,5-chloro-a-(hydroxyimino)thiophen-2-acetonitrile,(5-chloro-2-thienyl)(hydroxyimino)acetonitrile,ON=C(C#N)c1ccc(Cl)s1,ON=C(C#N)c1ccc(Cl)s1,"InChI=1/C6H3ClN2OS/c7-6-2-1-5(11-6)4(3-8)9-10/h1-2,10H",C6H3ClN2OS,,,,,,OYNBTUUDEASXIH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.338,277-394-8,73347-80-5,"Disodium 1,4-dihydroanthracene-9,10-diolate","disodium 1,4-dihydroanthracene-9,10-diolate",[Na+].[Na+].[O-]c1c2CC=CCc2c([O-])c3ccccc13,[Na+].[Na+].[O-]c1c2CC=CCc2c([O-])c3ccccc13,"InChI=1/C14H12O2.2Na/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;;/h1-6,15-16H,7-8H2;;/q;2*+1/p-2",C14H12O2.2Na,,,,,,YTHBSUMSWZZXCB-UHFFFAOYSA-L,,,,,,,,,,,
100.063.103,269-434-8,68239-22-5,"1-(2-hydroxy-2-phenylethyl)pyrrolidine-2,5-dione","1-(2-hydroxy-2-phenylethyl)pyrrolidine-2,5-dione",OC(CN1C(=O)CCC1=O)c2ccccc2,OC(CN1C(=O)CCC1=O)c2ccccc2,"InChI=1/C12H13NO3/c14-10(9-4-2-1-3-5-9)8-13-11(15)6-7-12(13)16/h1-5,10,14H,6-8H2",C12H13NO3,,,,,,HSSJOOBLHQOTFM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.121,269-454-7,68239-61-2,"1-[(2,6-dibromo-4-methylphenyl)amino]-4-hydroxyanthraquinone","1-[(2,6-dibromo-4-methylphenyl)amino]-4-hydroxy-9,10-anthraquinone",Cc1cc(Br)c(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c(Br)c1,Cc1cc(Br)c(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c(Br)c1,"InChI=1/C21H13Br2NO3/c1-10-8-13(22)19(14(23)9-10)24-15-6-7-16(25)18-17(15)20(26)11-4-2-3-5-12(11)21(18)27/h2-9,24-25H,1H3",C21H13Br2NO3,,,,,,GUTWGLKCVAFMPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.124,269-457-3,68239-64-5,4-dodecylbenzenediazonium chloride,4-dodecylbenzenediazonium chloride,[Cl-].CCCCCCCCCCCCc1ccc(cc1)[N+]#N,[Cl-].CCCCCCCCCCCCc1ccc(cc1)[N+]#N,"InChI=1/C18H29N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(20-19)16-14-17;/h13-16H,2-12H2,1H3;1H/q+1;/p-1",C18H29N2.Cl,,,,,,GOELRBDNVKNLNY-UHFFFAOYSA-M,,,,,,,,,,,
100.063.127,269-461-5,68239-68-9,5-(acetamido)-2-[2-[[5-(acetamido)-3-ethyl-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-ethylbenzoxazolium perchlorate,"5-acetamido-2-{2-[(5-acetamido-3-ethyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-3-ethyl-1,3-benzoxazol-3-ium perchlorate",[O-]Cl(=O)(=O)=O.CC(=O)Nc3ccc4oc(C=C(CC)C=C2Oc1ccc(cc1N2CC)NC(C)=O)[n+](CC)c4c3,[O-]Cl(=O)(=O)=O.CC(=O)Nc3ccc4oc(C=C(CC)C=C2Oc1ccc(cc1N2CC)NC(C)=O)[n+](CC)c4c3,"InChI=1/C27H30N4O4.ClHO4/c1-6-19(13-26-30(7-2)22-15-20(28-17(4)32)9-11-24(22)34-26)14-27-31(8-3)23-16-21(29-18(5)33)10-12-25(23)35-27;2-1(3,4)5/h9-16H,6-8H2,1-5H3,(H-,28,29,32,33);(H,2,3,4,5)",C27H31N4O4.ClO4,,,,,,MATDQNMRZOTTCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.128,269-462-0,68239-69-0,Sodium 5-[(3-ethyl-3H-benzoxazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-thioxoimidazolidine-1-acetate,"sodium {5-[2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl}acetate",[Na+].[O-]C(=O)CN4C(=S)N(c1ccccc1)C(=O)C4=CC=C3Oc2ccccc2N3CC,[Na+].[O-]C(=O)CN4C(=S)N(c1ccccc1)C(=O)C4=CC=C3Oc2ccccc2N3CC,"InChI=1/C22H19N3O4S.Na/c1-2-23-16-10-6-7-11-18(16)29-19(23)13-12-17-21(28)25(15-8-4-3-5-9-15)22(30)24(17)14-20(26)27;/h3-13H,2,14H2,1H3,(H,26,27);/q;+1/p-1",C22H19N3O4S.Na,,,,,,ZQPVEFYHGQHTCB-UHFFFAOYSA-M,,,,,,,,,,,
100.063.134,269-468-3,68239-75-8,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[3-(trimethoxysilyl)propyl]heptane-1-sulphonamide","N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[3-(trimethoxysilyl)propyl]heptane-1-sulfonamide",CCN(CCC[Si](OC)(OC)OC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCC[Si](OC)(OC)OC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H20F15NO5SSi/c1-5-31(7-6-8-38(34-2,35-3)36-4)37(32,33)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h5-8H2,1-4H3",C15H20F15NO5SSi,,,,,,SKFXNBMYNHVVJU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.135,269-469-9,68239-76-9,"1,4-bis[(2,6-dibromo-4-methylphenyl)amino]anthraquinone","1,4-bis[(2,6-dibromo-4-methylphenyl)amino]-9,10-anthraquinone",Cc1cc(Br)c(Nc2ccc(Nc3c(Br)cc(C)cc3Br)c4C(=O)c5ccccc5C(=O)c24)c(Br)c1,Cc1cc(Br)c(Nc2ccc(Nc3c(Br)cc(C)cc3Br)c4C(=O)c5ccccc5C(=O)c24)c(Br)c1,"InChI=1/C28H18Br4N2O2/c1-13-9-17(29)25(18(30)10-13)33-21-7-8-22(34-26-19(31)11-14(2)12-20(26)32)24-23(21)27(35)15-5-3-4-6-16(15)28(24)36/h3-12,33-34H,1-2H3",C28H18Br4N2O2,,,,,,MBBKLLKQAYFPGR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.137,269-472-5,68239-78-1,"2,2'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4-butylphenol]","2,2'-{cyclohexane-1,1-diylbis[(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis(4-butylphenol)",CCCCc5cc(N=Nc1ccc(cc1C)C2(CCCCC2)c4cc(C)c(N=Nc3cc(CCCC)ccc3O)cc4)c(O)cc5,CCCCc5cc(N=Nc1ccc(cc1C)C2(CCCCC2)c4cc(C)c(N=Nc3cc(CCCC)ccc3O)cc4)c(O)cc5,"InChI=1/C40H48N4O2/c1-5-7-12-30-14-20-38(45)36(26-30)43-41-34-18-16-32(24-28(34)3)40(22-10-9-11-23-40)33-17-19-35(29(4)25-33)42-44-37-27-31(13-8-6-2)15-21-39(37)46/h14-21,24-27,45-46H,5-13,22-23H2,1-4H3",C40H48N4O2,,,,,,WLTXMUDEAUCYGL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.140,269-475-1,68239-81-6,Bis[(3-hydroxyphenyl)ammonium] sulphate,bis(3-hydroxyanilinium) sulfate,[NH3+]c1cccc(O)c1.[NH3+]c2cccc(O)c2.[O-]S(=O)(=O)[O-],[NH3+]c1cccc(O)c1.[NH3+]c2cccc(O)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H7NO.H2O4S/c2*7-5-2-1-3-6(8)4-5;1-5(2,3)4/h2*1-4,8H,7H2;(H2,1,2,3,4)",C6H7NO.1/2H2O4S,,,,,,TVBNHNUPRXSKHS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.095,281-530-1,83968-50-7,"Estra-1,3,5(10)-triene-3,17ß-diol bis(benzenepropionate)","estra-1,3,5(10)-triene-3,17-diyl bis(3-phenylpropanoate)",C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)CCc5ccccc5)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCc6ccccc6,C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)CCc5ccccc5)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCc6ccccc6,"InChI=1/C36H40O4/c1-36-23-22-30-29-17-15-28(39-34(37)20-12-25-8-4-2-5-9-25)24-27(29)14-16-31(30)32(36)18-19-33(36)40-35(38)21-13-26-10-6-3-7-11-26/h2-11,15,17,24,30-33H,12-14,16,18-23H2,1H3",C36H40O4,,,,,,ZLBOKSWOGVJAJO-ZYLXULMKSA-N,,,,,,,,,,,
100.046.935,251-644-6,33700-25-3,"Tetrasodium 8,19-dichlorodiphenaleno[1,9-ab:1',9'-lm]triphenodioxazinetetrasulphonate","tetrasodium 8,19-dichlorophenaleno[1,9-ab]pyreno[1',2':5,6][1,4]oxazino[3,2-i]phenoxazine-1,2,3,4-tetrasulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2cc3OC4=C(Cl)C5=Nc6c(OC5=C(Cl)C4=Nc3c7ccc8c(c(c(c1c8c27)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])cc9ccc%10cccc%11ccc6c9c%10%11,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2cc3OC4=C(Cl)C5=Nc6c(OC5=C(Cl)C4=Nc3c7ccc8c(c(c(c1c8c27)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])cc9ccc%10cccc%11ccc6c9c%10%11,"InChI=1/C38H16Cl2N2O14S4.4Na/c39-28-33-35(29(40)32-34(28)55-20-10-15-5-4-13-2-1-3-14-6-7-17(30(20)41-32)24(15)23(13)14)56-21-11-16-12-22(57(43,44)45)27-26-19(9-8-18(25(16)26)31(21)42-33)36(58(46,47)48)38(60(52,53)54)37(27)59(49,50)51;;;;/h1-12H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C38H16Cl2N2O14S4.4Na,,,,,,HHAJROYLPHLLTP-UHFFFAOYSA-J,,,,,,,,,,,
100.046.938,251-647-2,33704-59-5,"2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene","1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-indene",CC1C(C)(C)C2=C(CCCC2)C1(C)C,CC1C(C)(C)C2=C(CCCC2)C1(C)C,"InChI=1/C14H24/c1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5/h10H,6-9H2,1-5H3",C14H24,,,,,,CDEGOUYLXTUDAU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.940,251-649-3,33704-61-9,"1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one","1,1,2,3,3-pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one",CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,"InChI=1/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3",C14H22O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15957,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.940,MIZGSAALSYARKU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.944,251-654-0,33719-44-7,"2,2'-(carbonyldiimino)bis[5-aminobenzenesulphonic] acid",5-amino-2-{[(4-amino-2-sulfophenyl)carbamoyl]amino}benzenesulfonic acid,Nc1ccc(NC(=O)Nc2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(NC(=O)Nc2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C13H14N4O7S2/c14-7-1-3-9(11(5-7)25(19,20)21)16-13(18)17-10-4-2-8(15)6-12(10)26(22,23)24/h1-6H,14-15H2,(H2,16,17,18)(H,19,20,21)(H,22,23,24)",C13H14N4O7S2,,,,,,YZINHSYVVYIZOR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.945,251-655-6,33719-74-3,"3,5-dichloroanisole","1,3-dichloro-5-methoxybenzene",COc1cc(Cl)cc(Cl)c1,COc1cc(Cl)cc(Cl)c1,"InChI=1/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3",C7H6Cl2O,,,,,,SSNXYMVLSOMJLU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.946,251-656-1,33721-54-9,N-(2-methoxy-5-nitrophenyl)acetamide,N-(2-methoxy-5-nitrophenyl)acetamide,COc1ccc(cc1NC(=O)C)[N+](=O)[O-],COc1ccc(cc1NC(=O)C)[N+](=O)[O-],"InChI=1/C9H10N2O4/c1-6(12)10-8-5-7(11(13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,10,12)",C9H10N2O4,,,,,,LNEITKYWXMCTLP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.949,251-659-8,33731-59-8,"2,5-diethyl-3,4-dihydro-2H-pyran-2-carbaldehyde","2,5-diethyl-3,4-dihydro-2H-pyran-2-carbaldehyde",CCC1=COC(CC)(CC1)C=O,CCC1=COC(CC)(CC1)C=O,"InChI=1/C10H16O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h7-8H,3-6H2,1-2H3",C10H16O2,,,,,,SQZVYXOKAXPDKY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.665,277-754-4,74186-18-8,"Disodium 4-[[3-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]-4'-[(2,5,6-trichloropyrimidin-4-yl)amino][1,1'-biphenyl]-3-sulphonate","disodium 4-[(3-{[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoyl)amino]-4'-[(2,5,6-trichloropyrimidin-4-yl)amino]biphenyl-3-sulfonate",[Na+].[Na+].Clc6c(Cl)nc(Cl)nc6Nc1ccc(cc1)c5ccc(NC(=O)c2cc(ccc2)N=NC4C(\\C)=N/N(c3cc(ccc3Cl)S([O-])(=O)=O)C4=O)c(c5)S([O-])(=O)=O,[Na+].[Na+].Clc6c(Cl)nc(Cl)nc6Nc1ccc(cc1)c5ccc(NC(=O)c2cc(ccc2)N=NC4C(\C)=N/N(c3cc(ccc3Cl)S([O-])(=O)=O)C4=O)c(c5)S([O-])(=O)=O,"InChI=1/C33H22Cl4N8O8S2.2Na/c1-16-28(32(47)45(44-16)25-15-22(54(48,49)50)10-11-23(25)34)43-42-21-4-2-3-19(13-21)31(46)39-24-12-7-18(14-26(24)55(51,52)53)17-5-8-20(9-6-17)38-30-27(35)29(36)40-33(37)41-30;;/h2-15,28H,1H3,(H,39,46)(H,38,40,41)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C33H22Cl4N8O8S2.2Na,,,,,,KKZFYAXJSKXATG-UHFFFAOYSA-L,,,,,,,,,,,
100.070.673,277-763-3,74203-93-3,4-(5-hydroxy-7-sulpho-2-naphthylamino)phenoxyacetic acid,{4-[(5-hydroxy-7-sulfo-2-naphthyl)amino]phenoxy}acetic acid,OC(=O)COc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1,OC(=O)COc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1,"InChI=1/C18H15NO7S/c20-17-9-15(27(23,24)25)8-11-7-13(3-6-16(11)17)19-12-1-4-14(5-2-12)26-10-18(21)22/h1-9,19-20H,10H2,(H,21,22)(H,23,24,25)",C18H15NO7S,,,,,,UOOVTNANMSPSAX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.675,277-765-4,74203-96-6,1-benzyl-3-methylbutyl acetate,1-benzyl-3-methylbutyl acetate,CC(C)CC(Cc1ccccc1)OC(=O)C,CC(C)CC(Cc1ccccc1)OC(=O)C,"InChI=1/C14H20O2/c1-11(2)9-14(16-12(3)15)10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3",C14H20O2,,,,,,PNFCKPDFDXAHTA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.694,277-786-9,74240-64-5,"trans-4-(5-propyl-1,3-dioxan-2-yl)benzonitrile","4-(5-propyl-1,3-dioxan-2-yl)benzonitrile",CCCC1COC(OC1)c2ccc(cc2)C#N,CCCC1COC(OC1)c2ccc(cc2)C#N,"InChI=1/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3",C14H17NO2,,,,,,GQPFCPRCGONDNN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.698,277-791-6,74262-24-1,"1,1'-oxybisbutan-2-ol","1,1'-oxydibutan-2-ol",CCC(O)COCC(O)CC,CCC(O)COCC(O)CC,"InChI=1/C8H18O3/c1-3-7(9)5-11-6-8(10)4-2/h7-10H,3-6H2,1-2H3",C8H18O3,,,,,,VKWZWOKLRQWMPC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.700,277-793-7,74263-38-0,"Barium bis(cytidine 2',3'-phosphate)","1-[2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-imino-3,4-dihydropyrimidin-2(1H)-one",OCC1OC(C2OP(=O)(O)OC12)N3C=CC(=N)NC3=O,OCC1OC(C2OP(=O)(O)OC12)N3C=CC(=N)NC3=O,"InChI=1/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)",C9H12N3O7P.1/2Ba,,,,,,NMPZCCZXCOMSDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.230,254-171-3,38875-47-7,4-(1-phenylethyl)-o-cresol,2-methyl-4-(1-phenylethyl)phenol,CC(c1ccccc1)c2ccc(O)c(C)c2,CC(c1ccccc1)c2ccc(O)c(C)c2,"InChI=1/C15H16O/c1-11-10-14(8-9-15(11)16)12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3",C15H16O,,,,,,JNDJWNJPQORYBX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.522,285-304-3,85068-43-5,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-undec-10-enoate","11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl undec-10-enoate",C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCCCCCCCC=C)[C@@]4(C)C[C@H](O)[C@H]23,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCCCCCCCC=C)[C@@]4(C)C[C@H](O)[C@H]23,"InChI=1/C32H48O6/c1-4-5-6-7-8-9-10-11-12-28(36)38-21-27(35)32(37)18-16-25-24-14-13-22-19-23(33)15-17-30(22,2)29(24)26(34)20-31(25,32)3/h4,19,24-26,29,34,37H,1,5-18,20-21H2,2-3H3",C32H48O6,,,,,,ODTBRLYUJAOLAZ-RXBLAQSTSA-N,,,,,,,,,,,
100.077.531,285-314-8,85068-57-1,"Dilithium 1,2-dihydroxy-1,2-ethanedisulphonate","dilithium 1,2-dihydroxyethane-1,2-disulfonate",[Li+].[Li+].OC(C(O)S(=O)(=O)[O-])S(=O)(=O)[O-],[Li+].[Li+].OC(C(O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C2H6O8S2.2Li/c3-1(11(5,6)7)2(4)12(8,9)10;;/h1-4H,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2",C2H6O8S2.2Li,,,,,,RDJJDSHRIBHBOW-UHFFFAOYSA-L,,,,,,,,,,,
100.071.539,278-715-4,77536-70-0,"2-[(4H-1,3-benzodioxin-6-ylmethylhydrazono)methyl]-1,3,3-trimethyl-3H-indolium methyl sulphate","2-[4H-1,3-benzodioxin-6-yl(methyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium methyl sulfate",[O-]S(=O)(=O)OC.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c2ccc3OCOCc3c2,[O-]S(=O)(=O)OC.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c2ccc3OCOCc3c2,"InChI=1/C21H24N3O2.CH4O4S/c1-21(2)17-7-5-6-8-18(17)23(3)20(21)12-22-24(4)16-9-10-19-15(11-16)13-25-14-26-19;1-5-6(2,3)4/h5-12H,13-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C21H24N3O2.CH3O4S,,,,,,AUFGNIVTCFUDPJ-UHFFFAOYSA-M,,,,,,,,,,,
100.071.548,278-725-9,77573-84-3,"17-hydroxy-3,6,9,12,15-pentaoxaheptadecyl acrylate","17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl acrylate",OCCOCCOCCOCCOCCOCCOC(=O)C=C,OCCOCCOCCOCCOCCOCCOC(=O)C=C,"InChI=1/C15H28O8/c1-2-15(17)23-14-13-22-12-11-21-10-9-20-8-7-19-6-5-18-4-3-16/h2,16H,1,3-14H2",C15H28O8,,,,,,UHBKLFLAVYCZEP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.551,278-729-0,77590-95-5,"2-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenoxy]-N-methylacetamide monohydrochloride",2-{2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy}-N-methylacetamide hydrochloride,Cl.CNC(=O)COc1ccccc1OCC(O)CNC(C)(C)C,Cl.CNC(=O)COc1ccccc1OCC(O)CNC(C)(C)C,"InChI=1/C16H26N2O4.ClH/c1-16(2,3)18-9-12(19)10-21-13-7-5-6-8-14(13)22-11-15(20)17-4;/h5-8,12,18-19H,9-11H2,1-4H3,(H,17,20);1H",C16H26N2O4.ClH,,,,,,CRYTUFSEASFGMP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.556,278-734-8,77628-62-7,"1-(2,3,3a,4,5,6-hexahydro-1,1,3-trimethyl-1H-inden-5-yl)ethan-1-one","1-(1,1,3-trimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl)ethanone",CC1CC(C)(C)C2=CCC(CC12)C(=O)C,CC1CC(C)(C)C2=CCC(CC12)C(=O)C,"InChI=1/C14H22O/c1-9-8-14(3,4)13-6-5-11(10(2)15)7-12(9)13/h6,9,11-12H,5,7-8H2,1-4H3",C14H22O,,,,,,WXBXKFWYTYPIGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.565,278-744-2,77656-58-7,"2-hydroxypropane-1,3-diyl bis(2-propylvalerate)",2-hydroxy-3-[(2-propylpentanoyl)oxy]propyl 2-propylpentanoate (non-preferred name),CCCC(CCC)C(=O)OCC(O)COC(=O)C(CCC)CCC,CCCC(CCC)C(=O)OCC(O)COC(=O)C(CCC)CCC,"InChI=1/C19H36O5/c1-5-9-15(10-6-2)18(21)23-13-17(20)14-24-19(22)16(11-7-3)12-8-4/h15-17,20H,5-14H2,1-4H3",C19H36O5,,,,,,YNBUCIVBTUJAIT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.568,278-747-9,77668-42-9,"(2,3-dichlorophenyl)oxoacetonitrile","(2,3-dichlorophenyl)(oxo)acetonitrile",Clc1cccc(C(=O)C#N)c1Cl,Clc1cccc(C(=O)C#N)c1Cl,InChI=1/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H,C8H3Cl2NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11630,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.568,FIBBFBXFASKAON-UHFFFAOYSA-N,,,,,,,,,,,
100.072.863,280-172-3,83044-90-0,2-ethylhexyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate,2-ethylhexyl 3-[3-tert-butyl-5-(5-chloro-2H-benzotriazol-2-yl)-4-hydroxyphenyl]propanoate,CCCCC(CC)COC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,CCCCC(CC)COC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,"InChI=1/C27H36ClN3O3/c1-6-8-9-18(7-2)17-34-25(32)13-10-19-14-21(27(3,4)5)26(33)24(15-19)31-29-22-12-11-20(28)16-23(22)30-31/h11-12,14-16,18,33H,6-10,13,17H2,1-5H3",C27H36ClN3O3,,,,,,AWEVLIFGIMIQHY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.726,282-225-6,84145-02-8,"Bis(2-amino-1,7-dihydro-8H-adenin-8-one) sulphate","2,6-diamino-1,7-dihydro-8H-purin-8-one sulfate (2:1)",NC1=NC2=NC(=O)NC2=C(N)N1.NC3=NC4=NC(=O)NC4=C(N)N3.OS(=O)(=O)O,NC1=NC2=NC(=O)NC2=C(N)N1.NC3=NC4=NC(=O)NC4=C(N)N3.OS(=O)(=O)O,"InChI=1/2C5H6N6O.H2O4S/c2*6-2-1-3(10-4(7)9-2)11-5(12)8-1;1-5(2,3)4/h2*(H6,6,7,8,9,10,11,12);(H2,1,2,3,4)",C5H6N6O.1/2H2O4S,,,,,,UKAWXNPCBSSKHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.727,282-226-1,84145-03-9,"[1,1'-biphenyl]-2-ol, compound with 2,2'-iminodiethanol (1:1)","2,2'-iminodiethanol - biphenyl-2-ol (1:1)",OCCNCCO.Oc1ccccc1c2ccccc2,OCCNCCO.Oc1ccccc1c2ccccc2,"InChI=1/C12H10O.C4H11NO2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;6-3-1-5-2-4-7/h1-9,13H;5-7H,1-4H2",C12H10O.C4H11NO2,,,,,,LSGBGPIKULBKEN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.734,282-234-5,84145-10-8,2-hydroxypropanesulphonyl chloride,2-hydroxypropane-1-sulfonyl chloride,CC(O)CS(=O)(=O)Cl,CC(O)CS(=O)(=O)Cl,"InChI=1/C3H7ClO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3",C3H7ClO3S,,,,,,XLETZVSHHPTZBK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.771,255-868-5,42521-09-5,"Methyl 2,6-dichloroisonicotinate","methyl 2,6-dichloroisonicotinate",COC(=O)c1cc(Cl)nc(Cl)c1,COC(=O)c1cc(Cl)nc(Cl)c1,"InChI=1/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3",C7H5Cl2NO2,,,,,,XSKGHSUHOYEBTK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.772,255-869-0,42521-44-8,(E)-tetradec-12-en-9-ynol,tetradec-12-en-9-yn-1-ol,C\\C=C\\CC#CCCCCCCCCO,C\C=C\CC#CCCCCCCCCO,"InChI=1/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,15H,4,7-14H2,1H3",C14H24O,,,,,,BSIFYCYOKFFUMK-NSCUHMNNSA-N,,,,,,,,,,,
100.076.127,283-770-2,84712-79-8,"N-[4-chloro-6-(cyclopentylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide","N-[4-chloro-6-(cyclopentylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide",CCN(C(=O)C)c1nc(Cl)nc(NC2CCCC2)n1,CCN(C(=O)C)c1nc(Cl)nc(NC2CCCC2)n1,"InChI=1/C12H18ClN5O/c1-3-18(8(2)19)12-16-10(13)15-11(17-12)14-9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,14,15,16,17)",C12H18ClN5O,,,,,,SJONDWFGXJKKJU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.131,283-774-4,84712-83-4,"1,4-diisocyanato-2,3,5,6-tetramethylcyclohexane","1,4-diisocyanato-2,3,5,6-tetramethylcyclohexane",CC1C(C)C(N=C=O)C(C)C(C)C1N=C=O,CC1C(C)C(N=C=O)C(C)C(C)C1N=C=O,"InChI=1/C12H18N2O2/c1-7-8(2)12(14-6-16)10(4)9(3)11(7)13-5-15/h7-12H,1-4H3",C12H18N2O2,,,,,,QKNMFOYJBHCEGR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.133,283-777-0,84712-85-6,Sodium 2-methoxyethyl [(4-methylphenyl)sulphonyl]carbamate,-,[Na+].COCCOC(=O)NS(=O)(=O)c1ccc(C)cc1,[Na+].COCCOC(=O)NS(=O)(=O)c1ccc(C)cc1,"InChI=1/C11H15NO5S.Na/c1-9-3-5-10(6-4-9)18(14,15)12-11(13)17-8-7-16-2;/h3-6H,7-8H2,1-2H3,(H,12,13);/q;+1",C11H15NO5S.Na,,,,,,XKLAGZBXKUOGHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.952,251-662-4,33736-01-5,2-hydroxyethyl acetoacetate,2-hydroxyethyl 3-oxobutanoate,CC(=O)CC(=O)OCCO,CC(=O)CC(=O)OCCO,"InChI=1/C6H10O4/c1-5(8)4-6(9)10-3-2-7/h7H,2-4H2,1H3",C6H10O4,,,,,,HBVWZQCLPFPSCF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.969,251-681-8,33798-02-6,"4,4'-isopropylidenebis[2,6-dibromophenyl] diacetate","propane-2,2-diylbis-2,6-dibromo-4,1-phenylene diacetate",CC(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OC(=O)C)c(Br)c2,CC(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OC(=O)C)c(Br)c2,"InChI=1/C19H16Br4O4/c1-9(24)26-17-13(20)5-11(6-14(17)21)19(3,4)12-7-15(22)18(16(23)8-12)27-10(2)25/h5-8H,1-4H3",C19H16Br4O4,,,,,,ZUBOJXBQSZDOID-UHFFFAOYSA-N,,,,,,,,,,,
100.046.974,251-687-0,33817-09-3,(-)-methyl(a-methylphenethyl)amine,N-methyl-1-phenylpropan-2-amine,CNC(C)Cc1ccccc1,CNC(C)Cc1ccccc1,"InChI=1/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",C10H15N,,,,,,MYWUZJCMWCOHBA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.982,251-695-4,33842-02-3,(dichloromethylene)dimethylammonium chloride,N-(dichloromethylene)-N-methylmethanaminium chloride,[Cl-].C[N+](=C(Cl)Cl)C,[Cl-].C[N+](=C(Cl)Cl)C,InChI=1/C3H6Cl2N.ClH/c1-6(2)3(4)5;/h1-2H3;1H/q+1;/p-1,C3H6Cl2N.Cl,,,,,,NRNFKRFWZQQDMD-UHFFFAOYSA-M,,,,,,,,,,,
100.046.989,251-704-1,33864-17-4,4-(dipropylamino)benzenediazonium tetrachlorozincate (2:1),bis[4-(dipropylamino)benzenediazonium] tetrachlorozincate(2-),CCCN(CCC)c1ccc(cc1)[N+]#N.CCCN(CCC)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCCN(CCC)c1ccc(cc1)[N+]#N.CCCN(CCC)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C12H18N3.4ClH.Zn/c2*1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12;;;;;/h2*5-8H,3-4,9-10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C12H18N3.Cl4Zn/c2*1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12;1-5(2,3)4/h2*5-8H,3-4,9-10H2,1-2H3;/q2*+1;-2",C12H18N3.1/2Cl4Zn,,,,,,POOUDMXGEIGQOM-UHFFFAOYSA-J,,,,,,,,,,,
100.046.991,251-706-2,33868-03-0,"7,9-dihydro-1,7-dimethyl-1H-purine-2,6,8(3H)-trione","1,7-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione",CN1C(=O)NC2=C(N(C)C(=O)N2)C1=O,CN1C(=O)NC2=C(N(C)C(=O)N2)C1=O,"InChI=1/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)",C7H8N4O3,,,,,,NOFNCLGCUJJPKU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.706,277-800-3,74276-41-8,"2-ethoxyethyl 4-[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]-<U+03B3>-[4-[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]phenyl]-<U+03B3>-methylbenzenebutyrate","2-ethoxyethyl 4,4-bis(4-{[(6-diazo-5-oxo-5,6-dihydronaphthalen-1-yl)sulfonyl]oxy}phenyl)pentanoate",CCOCCOC(=O)CCC(C)(c1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1)c4ccc(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)cc4,CCOCCOC(=O)CCC(C)(c1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1)c4ccc(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)cc4,"InChI=1/C41H34N4O11S2/c1-3-53-24-25-54-38(46)22-23-41(2,26-10-14-28(15-11-26)55-57(49,50)36-8-4-6-32-30(36)18-20-34(44-42)39(32)47)27-12-16-29(17-13-27)56-58(51,52)37-9-5-7-33-31(37)19-21-35(45-43)40(33)48/h4-21H,3,22-25H2,1-2H3",C41H34N4O11S2,,,,,,AZNVEXKTXPOVCB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.707,277-801-9,74287-36-8,"1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)vinyl]-1H-imidazolium nitrate","3-{2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)vinyl}-1H-imidazol-3-ium nitrate",[O-][N+](=O)[O-].Clc1ccc(OCCO\\C(=C\\[n+]2cc[nH]c2)\\c3ccc(Cl)cc3Cl)cc1,[O-][N+](=O)[O-].Clc1ccc(OCCO\C(=C\[n+]2cc[nH]c2)\c3ccc(Cl)cc3Cl)cc1,"InChI=1/C19H15Cl3N2O2.NO3/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22;2-1(3)4/h1-8,11-13H,9-10H2;/q;-1/p+1",C19H15Cl3N2O2.HNO3,,,,,,LLASCUYSTQDTOR-NNTHFVATSA-O,,,,,,,,,,,
100.070.711,277-806-6,74298-66-1,"4-chloro-3',4'-dimethylbutyrophenone","4-chloro-1-(3,4-dimethylphenyl)butan-1-one",Cc1ccc(cc1C)C(=O)CCCCl,Cc1ccc(cc1C)C(=O)CCCCl,"InChI=1/C12H15ClO/c1-9-5-6-11(8-10(9)2)12(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3",C12H15ClO,,,,,,UMVFZGUNLWQTHV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.098,281-533-8,83968-53-0,Ethyl 2-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]-5-nitro-3-thenoate,ethyl 2-({2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl}diazenyl)-5-nitrothiophene-3-carboxylate (non-preferred name),COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1sc(cc1C(=O)OCC)[N+]([O-])=O)c(NC(C)=O)c2,COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1sc(cc1C(=O)OCC)[N+]([O-])=O)c(NC(C)=O)c2,"InChI=1/C23H27N5O9S/c1-5-37-23(32)16-13-19(28(33)34)38-22(16)26-25-17-7-6-15(12-18(17)24-14(2)29)27(10-8-20(30)35-3)11-9-21(31)36-4/h6-7,12-13H,5,8-11H2,1-4H3,(H,24,29)",C23H27N5O9S,,,,,,YOUJDBKEMABUMM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.108,281-544-8,83968-63-2,N-(4-hydroxy-1-naphthyl)acrylamide,N-(4-hydroxy-1-naphthyl)acrylamide,Oc1ccc(NC(=O)C=C)c2ccccc12,Oc1ccc(NC(=O)C=C)c2ccccc12,"InChI=1/C13H11NO2/c1-2-13(16)14-11-7-8-12(15)10-6-4-3-5-9(10)11/h2-8,15H,1H2,(H,14,16)",C13H11NO2,,,,,,CMEKWPYUZRCMRD-UHFFFAOYSA-N,,,,,,,,,,,
100.074.115,281-552-1,83968-71-2,"Trisodium 4-amino-3-[[4-[(4-amino-2-hydroxyphenyl)azo]phenyl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4-[(4-amino-2-hydroxyphenyl)diazenyl]phenyl}diazenyl)-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc5cc(N)ccc5N=Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4,[Na+].[Na+].[Na+].Oc5cc(N)ccc5N=Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4,"InChI=1/C28H22N8O11S3.3Na/c29-15-1-10-20(21(37)13-15)34-31-16-2-4-17(5-3-16)32-35-26-22(49(42,43)44)11-14-12-23(50(45,46)47)27(28(38)24(14)25(26)30)36-33-18-6-8-19(9-7-18)48(39,40)41;;;/h1-13,37-38H,29-30H2,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C28H22N8O11S3.3Na,,,,,,SYHSTTOURQZMDM-UHFFFAOYSA-K,,,,,,,,,,,
100.076.640,284-334-4,84852-24-4,Disodium 6-amino-4-hydroxy-5-[[4-[[(4-methyl-2-sulphonatophenyl)amino]sulphonyl]phenyl]azo]naphthalene-2-sulphonate,disodium 6-amino-4-hydroxy-5-({4-[(4-methyl-2-sulfonatophenyl)sulfamoyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c4cc(C)ccc4NS(=O)(=O)c1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4cc(C)ccc4NS(=O)(=O)c1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,"InChI=1/C23H20N4O9S3.2Na/c1-13-2-9-19(21(10-13)39(34,35)36)27-37(29,30)16-6-4-15(5-7-16)25-26-23-18(24)8-3-14-11-17(38(31,32)33)12-20(28)22(14)23;;/h2-12,27-28H,24H2,1H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C23H20N4O9S3.2Na,,,,,,BPNBDRFMIGSYRB-UHFFFAOYSA-L,,,,,,,,,,,
100.076.641,284-336-5,84852-25-5,"Disodium 5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate","disodium 5-{[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino}-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Oc4ccc(CCCCCCCCC)cc4)n5,[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Oc4ccc(CCCCCCCCC)cc4)n5,"InChI=1/C34H35ClN6O8S2.2Na/c1-2-3-4-5-6-7-9-12-22-15-17-25(18-16-22)49-34-38-32(35)37-33(39-34)36-27-21-26(50(43,44)45)19-23-20-28(51(46,47)48)30(31(42)29(23)27)41-40-24-13-10-8-11-14-24;;/h8,10-11,13-21,42H,2-7,9,12H2,1H3,(H,43,44,45)(H,46,47,48)(H,36,37,38,39);;/q;2*+1/p-2",C34H35ClN6O8S2.2Na,,,,,,WVWPLKFFOGDOGN-UHFFFAOYSA-L,,,,,,,,,,,
100.076.643,284-338-6,84852-27-7,"N,N'-(5,6,7,12,17,18,19,24-octahydro-5,7,12,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-1,13-diyl)bis(benzamide)","N,N'-(5,7,12,17,19,24-hexaoxo-5,6,7,12,17,18,19,24-octahydrodinaphtho[2,3-i:2,3-i']benzo[1,2-a:4,5-a']dicarbazole-1,13-diyl)dibenzamide",O=C(Nc1cccc2C(=O)c3c(ccc4c5ccc6C(=O)c7c(ccc8c9ccc%10C(=O)c%11c(NC(=O)c%12ccccc%12)cccc%11C(=O)c%10c9[nH]c78)C(=O)c6c5[nH]c34)C(=O)c12)c%13ccccc%13,O=C(Nc1cccc2C(=O)c3c(ccc4c5ccc6C(=O)c7c(ccc8c9ccc%10C(=O)c%11c(NC(=O)c%12ccccc%12)cccc%11C(=O)c%10c9[nH]c78)C(=O)c6c5[nH]c34)C(=O)c12)c%13ccccc%13,"InChI=1/C56H28N4O8/c61-49-33-21-17-27-29-19-23-35-43(47(29)59-45(27)41(33)51(63)31-13-7-15-37(39(31)49)57-55(67)25-9-3-1-4-10-25)53(65)36-24-20-30-28-18-22-34-42(46(28)60-48(30)44(36)54(35)66)52(64)32-14-8-16-38(40(32)50(34)62)58-56(68)26-11-5-2-6-12-26/h1-24,59-60H,(H,57,67)(H,58,68)",C56H28N4O8,,,,,,WURUFXAKONRZQU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.340,277-396-9,73348-53-5,"N,N-dibutyl-2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-amine","N,N-dibutyl-2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-amine",CCCCN(CCCC)P1Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)c3cc(cc(c3O1)C(C)(C)C)C(C)(C)C,CCCCN(CCCC)P1Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)c3cc(cc(c3O1)C(C)(C)C)C(C)(C)C,"InChI=1/C36H58NO2P/c1-15-17-19-37(20-18-16-2)40-38-31-27(21-25(33(3,4)5)23-29(31)35(9,10)11)28-22-26(34(6,7)8)24-30(32(28)39-40)36(12,13)14/h21-24H,15-20H2,1-14H3",C36H58NO2P,,,,,,DNHKMKNEVOOJMY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.342,277-399-5,73353-26-1,"1-[[3-(dimethylamino)propyl]amino]-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol","1-{[3-(dimethylamino)propyl]amino}-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol",CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C17H19F19N2O/c1-38(2)5-3-4-37-7-8(39)6-9(18,19)11(21,22)13(25,26)15(29,30)14(27,28)12(23,24)10(20,16(31,32)33)17(34,35)36/h8,37,39H,3-7H2,1-2H3",C17H19F19N2O,,,,,,GCGAKPKICKLLED-UHFFFAOYSA-N,,,,,,,,,,,
100.049.232,254-173-4,38875-96-6,"9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium dihydrogen phosphate","9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium dihydrogen phosphate",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.[O-]P(=O)([O-])[O-],CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.[O-]P(=O)([O-])[O-],"InChI=1/C28H31N2O3.H3O4P/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;1-5(2,3)4/h9-16,29-30H,6-8H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3",C28H31N2O3.H2O4P,,,,,,XJLUOIGLDLMUBZ-UHFFFAOYSA-K,,,,,,,,,,,
100.049.245,254-188-6,38917-37-2,"N-tert-butyl-1,3,4-thiadiazol-2-amine","N-tert-butyl-1,3,4-thiadiazol-2-amine",CC(C)(C)Nc1nncs1,CC(C)(C)Nc1nncs1,"InChI=1/C6H11N3S/c1-6(2,3)8-5-9-7-4-10-5/h4H,1-3H3,(H,8,9)",C6H11N3S,,,,,,XNQTUNHFIIWKKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.246,254-189-1,38923-57-8,"Methyl 2,2-dimethylacetoacetate","methyl 2,2-dimethyl-3-oxobutanoate",COC(=O)C(C)(C)C(=O)C,COC(=O)C(C)(C)C(=O)C,"InChI=1/C7H12O3/c1-5(8)7(2,3)6(9)10-4/h1-4H3",C7H12O3,,,,,,LVSDLZIEHYYLTC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.763,255-859-6,42507-56-2,"(1a,2ß,5a)-4,5-dimethyl-2-(2-methylpropen-2-yl)cyclohex-3-ene-1-carbaldehyde","4,5-dimethyl-2-(2-methylprop-1-en-1-yl)cyclohex-3-ene-1-carbaldehyde",CC1CC(C=O)C(C=C(C)C)C=C1C,CC1CC(C=O)C(C=C(C)C)C=C1C,"InChI=1/C13H20O/c1-9(2)5-12-6-10(3)11(4)7-13(12)8-14/h5-6,8,11-13H,7H2,1-4H3",C13H20O,,,,,,DBKJZSIBBKOBCN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.768,255-864-3,42513-36-0,12-chlorododec-5-yne,12-chlorododec-5-yne,CCCCC#CCCCCCCCl,CCCCC#CCCCCCCCl,"InChI=1/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,7-12H2,1H3",C12H21Cl,,,,,,DJJGBABLSKSRGV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.483,281-957-3,84074-44-2,"Propane-1,2,3-triol, sodium zirconium salt","propane-1,2,3-triol, sodium zirconium salt",[Na+].[Zr+2].OCC(O)CO,[Na+].[Zr+2].OCC(O)CO,"InChI=1/C3H8O3.Na.Zr/c4-1-3(6)2-5;;/h3-6H,1-2H2;;/q;+1;+2",C3H8O3.xNa.xZr,,,,,,WSSRQJRZZUAKEH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.126,283-769-7,84712-78-7,"N-cyclopentyl-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine","N-cyclopentyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CCNc1nc(NC2CCCC2)nc(SC)n1,CCNc1nc(NC2CCCC2)nc(SC)n1,"InChI=1/C11H19N5S/c1-3-12-9-14-10(16-11(15-9)17-2)13-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)",C11H19N5S,,,,,,QWEXZURQZXDZBL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.128,283-771-8,84712-80-1,"6-chloro-N-cyclohexyl-N'-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine","6-chloro-N-cyclohexyl-N'-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine",COCCCNc1nc(Cl)nc(NC2CCCCC2)n1,COCCCNc1nc(Cl)nc(NC2CCCCC2)n1,"InChI=1/C13H22ClN5O/c1-20-9-5-8-15-12-17-11(14)18-13(19-12)16-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,15,16,17,18,19)",C13H22ClN5O,,,,,,RHRPNOHMMGIBHD-UHFFFAOYSA-N,,,,,,,,,,,
100.076.129,283-772-3,84712-81-2,"3-[3-[[[(diisopropylamino)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-1,1-diisopropylurea","3-(3-{[(diisopropylcarbamoyl)amino]methyl}-3,5,5-trimethylcyclohexyl)-1,1-diisopropylurea",CC(C)N(C(C)C)C(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)N(C(C)C)C(C)C,CC(C)N(C(C)C)C(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)N(C(C)C)C(C)C,"InChI=1/C24H48N4O2/c1-16(2)27(17(3)4)21(29)25-15-24(11)13-20(12-23(9,10)14-24)26-22(30)28(18(5)6)19(7)8/h16-20H,12-15H2,1-11H3,(H,25,29)(H,26,30)",C24H48N4O2,,,,,,AGUUNYAJSFOUSL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.132,283-776-5,84712-84-5,"2,3-dihydrophthalazine-1,4-dione dihydrazone, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)","1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 1,4-bis(hydrazono)-1,2,3,4-tetrahydrophthalazine (1:1)",CN2c1ncnc1C(=O)N(C)C2=O.NN=C1NNC(=NN)c2ccccc12,CN2c1ncnc1C(=O)N(C)C2=O.NN=C1NNC(=NN)c2ccccc12,"InChI=1/C8H10N6.C7H8N4O2/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h1-4H,9-10H2,(H,11,13)(H,12,14);3H,1-2H3,(H,8,9)",C8H10N6.C7H8N4O2,,,,,,STUUJICSXAHEFA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.953,251-664-5,33739-99-0,"1,3-bis(3-amino-2,2-dimethylpropyl)tetrahydro-1H-pyrimidin-2-one","1,3-bis(3-amino-2,2-dimethylpropyl)tetrahydropyrimidin-2(1H)-one",CC(C)(CN)CN1CCCN(CC(C)(C)CN)C1=O,CC(C)(CN)CN1CCCN(CC(C)(C)CN)C1=O,"InChI=1/C14H30N4O/c1-13(2,8-15)10-17-6-5-7-18(12(17)19)11-14(3,4)9-16/h5-11,15-16H2,1-4H3",C14H30N4O,,,,,,LBCVUPDGXGLZNM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.956,251-667-1,33754-29-9,Tin hydroxide,tin(4+) tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Sn+4],[OH-].[OH-].[OH-].[OH-].[Sn+4],InChI=1/4H2O.Sn/h4*1H2;/q;;;;+4/p-4,HOSn,,,,,,CVNKFOIOZXAFBO-UHFFFAOYSA-J,,,,,,,,,,,
100.046.957,251-668-7,33754-49-3,"4-(2-fluorophenyl)-6,8-dihydro-1,3,8-trimethylpyrazolo[3,4-e][1,4]diazepin-7(1H)-one monohydrochloride","4-(2-fluorophenyl)-1,3,8-trimethyl-6,8-dihydropyrazolo[3,4-e][1,4]diazepin-7(1H)-one hydrochloride",Cl.CN1C(=O)CN=C(c2ccccc2F)c3c(C)nn(C)c13,Cl.CN1C(=O)CN=C(c2ccccc2F)c3c(C)nn(C)c13,"InChI=1/C15H15FN4O.ClH/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9;/h4-7H,8H2,1-3H3;1H",C15H15FN4O.ClH,,,,,,NJERAXSSDSHLGE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.736,282-236-6,84145-12-0,2-[(trimethylstannyl)thio]ethyl stearate,2-[(trimethylstannyl)sulfanyl]ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCS[Sn](C)(C)C,CCCCCCCCCCCCCCCCCC(=O)OCCS[Sn](C)(C)C,"InChI=1/C20H40O2S.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;;;/h23H,2-19H2,1H3;3*1H3;/q;;;;+1/p-1/rC23H48O2SSn/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24)25-21-22-26-27(2,3)4/h5-22H2,1-4H3",C23H48O2SSn,,,,,,MAWNXWUAUSLJAI-UHFFFAOYSA-M,,,,,,,,,,,
100.074.749,282-250-2,84145-25-5,Ethyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate,ethyl 4-anilino-4-cyanopiperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)(Nc2ccccc2)C#N,CCOC(=O)N1CCC(CC1)(Nc2ccccc2)C#N,"InChI=1/C15H19N3O2/c1-2-20-14(19)18-10-8-15(12-16,9-11-18)17-13-6-4-3-5-7-13/h3-7,17H,2,8-11H2,1H3",C15H19N3O2,,,,,,FLFATCQHLCJCDS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.539,285-323-7,85068-65-1,Calcium(2+) 4-[(octadecylamino)carbonyl]benzoate,calcium bis[4-(octadecylcarbamoyl)benzoate],[Ca+2].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-].CCCCCCCCCCCCCCCCCCNC(=O)c2ccc(cc2)C(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-].CCCCCCCCCCCCCCCCCCNC(=O)c2ccc(cc2)C(=O)[O-],"InChI=1/2C26H43NO3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h2*18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);/q;;+2/p-2",C26H43NO3.1/2Ca,,,,,,WFIRISZSTMRUBK-UHFFFAOYSA-L,,,,,,,,,,,
100.077.541,285-325-8,85068-67-3,"[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydrogen glutarate","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydrogen glutarate",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCCC(=O)[O-],CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCCC(=O)[O-],"InChI=1/C27H33N2.C5H8O4/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;6-4(7)2-1-3-5(8)9/h9-21H,5-8H2,1-4H3;1-3H2,(H,6,7)(H,8,9)/q+1;/p-2",C27H33N2.C5H7O4,,,,,,RDRLHJPORORUPU-UHFFFAOYSA-L,,,,,,,,,,,
100.077.544,285-328-4,85068-70-8,1-(2-chloroethyl)-3-methylpiperidinium chloride,1-(2-chloroethyl)-3-methylpiperidinium chloride,[Cl-].CC1CCC[NH+](CCCl)C1,[Cl-].CC1CCC[NH+](CCCl)C1,"InChI=1/C8H16ClN.ClH/c1-8-3-2-5-10(7-8)6-4-9;/h8H,2-7H2,1H3;1H",C8H16ClN.ClH,,,,,,TZEIEZGMTAMTBK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.553,285-338-9,85080-83-7,"(5a,7a)-a-tert-butyl-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a-methyl-6,14-ethenomorphinan-7-methanol","6-(1-hydroxy-1,2,2-trimethylpropyl)-7-methoxy-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol",CO[C@]12CC[C@@]3(C[C@@H]1C(C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4)c56,CO[C@]12CC[C@@]3(C[C@@H]1C(C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4)c56,"InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3",C25H35NO4,,,,,,YOYLLRBMGQRFTN-SMCOLXIQSA-N,,,,,,,,,,,
100.077.558,285-344-1,85081-54-5,"Ammonium O,O-bis(dimethylphenyl) dithiophosphate","ammonium O,O-bis(2,3-dimethylphenyl) dithiophosphate",[NH4+].Cc1cccc(OP(=S)([S-])Oc2cccc(C)c2C)c1C,[NH4+].Cc1cccc(OP(=S)([S-])Oc2cccc(C)c2C)c1C,"InChI=1/C16H19O2PS2.H3N/c1-11-7-5-9-15(13(11)3)17-19(20,21)18-16-10-6-8-12(2)14(16)4;/h5-10H,1-4H3,(H,20,21);1H3",C16H19O2PS2.H3N,,,,,,QKONPSJUWRHZJU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.582,278-763-6,77769-98-3,4-[2-[4-[benzyl(ethyl)amino]phenyl]vinyl]-1-(2-hydroxyethyl)pyridinium chloride,4-(2-{4-[benzyl(ethyl)amino]phenyl}vinyl)-1-(2-hydroxyethyl)pyridinium chloride,[Cl-].CCN(Cc1ccccc1)c2ccc(\\C=C\\c3cc[n+](CCO)cc3)cc2,[Cl-].CCN(Cc1ccccc1)c2ccc(\C=C\c3cc[n+](CCO)cc3)cc2,"InChI=1/C24H27N2O.ClH/c1-2-26(20-23-6-4-3-5-7-23)24-12-10-21(11-13-24)8-9-22-14-16-25(17-15-22)18-19-27;/h3-17,27H,2,18-20H2,1H3;1H/q+1;/p-1",C24H27N2O.Cl,,,,,,HWXYWDWTXBHFJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.071.588,278-769-9,77795-25-6,"2,4,6-trinitrophenyl 5-oxo-L-prolinate","2,4,6-trinitrophenyl 5-oxo-L-prolinate",[O-][N+](=O)c1cc(c(OC(=O)[C@@H]2CCC(=O)N2)c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(OC(=O)[C@@H]2CCC(=O)N2)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C11H8N4O9/c16-9-2-1-6(12-9)11(17)24-10-7(14(20)21)3-5(13(18)19)4-8(10)15(22)23/h3-4,6H,1-2H2,(H,12,16)",C11H8N4O9,,,,,,OHQGNVGQELARTB-LURJTMIESA-N,,,,,,,,,,,
100.071.598,278-780-9,77881-13-1,(17a)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile,17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C#N,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C#N,"InChI=1/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3",C20H27NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12603,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.598,JYCSLUASXDFIEL-HLXURNFRSA-N,,,,,,,,,,,
100.071.610,278-794-5,77923-82-1,"Hexahydro-2,5,5-trimethyl-2H-2,4a-methanonaphthalen-1(5H)-one","2,5,5-trimethylhexahydro-2H-2,4a-methanonaphthalen-1(5H)-one",CC1(C)CCCC2C(=O)C3(C)CCC12C3,CC1(C)CCCC2C(=O)C3(C)CCC12C3,"InChI=1/C14H22O/c1-12(2)6-4-5-10-11(15)13(3)7-8-14(10,12)9-13/h10H,4-9H2,1-3H3",C14H22O,,,,,,UBSJUMZOLIKMIE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.612,278-796-6,77928-59-7,Triacetoxyoctylstannane,triacetoxy(octyl)stannane,CCCCCCCC[Sn](OC(=O)C)(OC(=O)C)OC(=O)C,CCCCCCCC[Sn](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1/C8H17.3C2H4O2.Sn/c1-3-5-7-8-6-4-2;3*1-2(3)4;/h1,3-8H2,2H3;3*1H3,(H,3,4);/q;;;;+3/p-3/rC14H26O6Sn/c1-5-6-7-8-9-10-11-21(18-12(2)15,19-13(3)16)20-14(4)17/h5-11H2,1-4H3",C14H26O6Sn,,,,,,PXECHWMUNJDBTP-UHFFFAOYSA-K,,,,,,,,,,,
100.077.616,285-407-3,85089-31-2,2-chloro-3-fluorotoluene,2-chloro-1-fluoro-3-methylbenzene,Cc1cccc(F)c1Cl,Cc1cccc(F)c1Cl,"InChI=1/C7H6ClF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3",C7H6ClF,,,,,,YSCFYJSLWLBAND-UHFFFAOYSA-N,,,,,,,,,,,
100.070.713,277-808-7,74298-89-8,(Z)-pent-2-enyl hexanoate,pent-2-en-1-yl hexanoate,CCCCCC(=O)OC\\C=C/CC,CCCCCC(=O)OC\C=C/CC,"InChI=1/C11H20O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h6,8H,3-5,7,9-10H2,1-2H3",C11H20O2,,,,,,ZZFNQLFGNVPSOG-VURMDHGXSA-N,,,,,,,,,,,
100.070.726,277-822-3,74332-73-3,"3,3'-dichlorobenzidine sulphate","3,3'-dichlorobiphenyl-4,4'-diamine sulfate",Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2.OS(=O)(=O)O,Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2.OS(=O)(=O)O,"InChI=1/C12H10Cl2N2.H2O4S/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;1-5(2,3)4/h1-6H,15-16H2;(H2,1,2,3,4)",C12H10Cl2N2.xH2O4S,,,,,,HOVPEOYZHDRTFS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.732,277-829-1,74347-15-2,4-(4-dimethylamino-1-naphthylazo)-3-methoxybenzenesulphonic acid,4-{[4-(dimethylamino)-1-naphthyl]diazenyl}-3-methoxybenzenesulfonic acid,COc3cc(ccc3N=Nc2ccc(N(C)C)c1ccccc12)S(O)(=O)=O,COc3cc(ccc3N=Nc2ccc(N(C)C)c1ccccc12)S(O)(=O)=O,"InChI=1/C19H19N3O4S/c1-22(2)18-11-10-16(14-6-4-5-7-15(14)18)20-21-17-9-8-13(27(23,24)25)12-19(17)26-3/h4-12H,1-3H3,(H,23,24,25)",C19H19N3O4S,,,,,,IUCBYZZXKZMQDN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.740,277-838-0,74356-31-3,"2,4-dimethylnonan-4-ol","2,4-dimethylnonan-4-ol",CCCCCC(C)(O)CC(C)C,CCCCCC(C)(O)CC(C)C,"InChI=1/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3",C11H24O,,,,,,ZCYIZHWZWCLYQE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.744,277-842-2,74367-81-0,4-iodoanilinium chloride,4-iodoanilinium chloride,[Cl-].[NH3+]c1ccc(I)cc1,[Cl-].[NH3+]c1ccc(I)cc1,"InChI=1/C6H6IN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H",C6H6IN.ClH,,,,,,XEQNZUYMGIGJQT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.775,255-872-7,42530-03-0,"4,6-diamino-2-bromonicotinonitrile","4,6-diamino-2-bromonicotinonitrile",Nc1cc(N)c(C#N)c(Br)n1,Nc1cc(N)c(C#N)c(Br)n1,"InChI=1/C6H5BrN4/c7-6-3(2-8)4(9)1-5(10)11-6/h1H,(H4,9,10,11)",C6H5BrN4,,,,,,NKXPRYBNUGINBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.778,255-875-3,42537-96-2,N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-L-isoleucine,N-[(benzyloxy)carbonyl]-L-leucyl-L-isoleucine,CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O,CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O,"InChI=1/C20H30N2O5/c1-5-14(4)17(19(24)25)22-18(23)16(11-13(2)3)21-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,26)(H,22,23)(H,24,25)",C20H30N2O5,,,,,,VFBACQGDAHTASH-HGVHAKBWSA-N,,,,,,,,,,,
100.050.784,255-882-1,42558-01-0,2-(1-hydroxypentyl)cyclopentan-1-one,2-(1-hydroxypentyl)cyclopentanone,CCCCC(O)C1CCCC1=O,CCCCC(O)C1CCCC1=O,"InChI=1/C10H18O2/c1-2-3-6-9(11)8-5-4-7-10(8)12/h8-9,11H,2-7H2,1H3",C10H18O2,,,,,,DYVAUIYAEICDNS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.786,255-884-2,42560-98-5,Dichlorohexafluoropropane,"1,1-dichloro-1,2,2,3,3,3-hexafluoropropane",FC(F)(F)C(F)(F)C(F)(Cl)Cl,FC(F)(F)C(F)(F)C(F)(Cl)Cl,"InChI=1/C3Cl2F6/c4-2(5,8)1(6,7)3(9,10)11",C3Cl2F6,,,,,,FMKLGBFKHKIUKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.791,255-890-5,42571-84-6,5-isopropyl-3-methylphenyl chloroformate,3-isopropyl-5-methylphenyl chlorocarbonate,CC(C)c1cc(C)cc(OC(=O)Cl)c1,CC(C)c1cc(C)cc(OC(=O)Cl)c1,"InChI=1/C11H13ClO2/c1-7(2)9-4-8(3)5-10(6-9)14-11(12)13/h4-7H,1-3H3",C11H13ClO2,,,,,,BBPDRHBZXDFJBM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.792,255-891-0,42572-11-2,o-sec-butylphenyl chloroformate,2-sec-butylphenyl chlorocarbonate,CCC(C)c1ccccc1OC(=O)Cl,CCC(C)c1ccccc1OC(=O)Cl,"InChI=1/C11H13ClO2/c1-3-8(2)9-6-4-5-7-10(9)14-11(12)13/h4-8H,3H2,1-2H3",C11H13ClO2,,,,,,HHRQQKZGRTXSHV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.793,255-892-6,42572-19-0,o-isopropoxyphenyl chloroformate,2-isopropoxyphenyl chlorocarbonate,CC(C)Oc1ccccc1OC(=O)Cl,CC(C)Oc1ccccc1OC(=O)Cl,"InChI=1/C10H11ClO3/c1-7(2)13-8-5-3-4-6-9(8)14-10(11)12/h3-7H,1-2H3",C10H11ClO3,,,,,,LCZRGRFZVSOZLO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.794,255-893-1,42573-57-9,"2-(p-methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine","2-[2-(4-methoxyphenyl)vinyl]-4,6-bis(trichloromethyl)-1,3,5-triazine",COc1ccc(\\C=C\\c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)cc1,COc1ccc(\C=C\c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)cc1,"InChI=1/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3",C14H9Cl6N3O,,,,,,MCNPOZMLKGDJGP-QPJJXVBHSA-N,,,,,,,,,,,
100.050.797,255-896-8,42579-89-5,"Sulphuric acid, barium lead salt",-,[Ba].[Pb].OS(O)(=O)=O,[Ba].[Pb].OS(O)(=O)=O,"InChI=1/Ba.H2O4S.Pb.2H/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;/q+2;;+4;;/rBa.H2O4S.H2Pb/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;+4",Ba.xH2O4S.xPb,,,,,,XQRNVBQUGGGFCO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.798,255-897-3,42580-28-9,4-[(1-phenyl-1H-tetrazol-5-yl)thio]pyrocatechol,"4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzene-1,2-diol",Oc1ccc(Sc2nnnn2c3ccccc3)cc1O,Oc1ccc(Sc2nnnn2c3ccccc3)cc1O,"InChI=1/C13H10N4O2S/c18-11-7-6-10(8-12(11)19)20-13-14-15-16-17(13)9-4-2-1-3-5-9/h1-8,18-19H",C13H10N4O2S,,,,,,PJZVGBUGVGILFO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.808,255-908-1,42604-12-6,(methoxymethoxy)cyclododecane,(methoxymethoxy)cyclododecane,COCOC1CCCCCCCCCCC1,COCOC1CCCCCCCCCCC1,"InChI=1/C14H28O2/c1-15-13-16-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3",C14H28O2,,,,,,HPTIDIPGIUCQFC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.347,277-405-6,73384-59-5,Ceftriaxone,"7-{[(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetyl]amino}-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",O=C3N1/C(=C(\\CS[C@@H]1[C@@H]3NC(=O)C(=NOC)c2csc(N)n2)CS\\C4=N\\C(=O)C(/O)=N\\N4C)C(O)=O,O=C3N1/C(=C(\CS[C@@H]1[C@@H]3NC(=O)C(=NOC)c2csc(N)n2)CS\C4=N\C(=O)C(/O)=N\N4C)C(O)=O,"InChI=1/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)",C18H18N8O7S3,,,,,,VAAUVRVFOQPIGI-RFAUZJTJSA-N,,,,,,,,,,,
100.070.355,277-414-5,73384-71-1,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-4-(2-methoxyethoxy)-5-[(2-methoxyethyl)amino]phenyl]acetamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)-5-[(2-methoxyethyl)amino]phenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NCCOC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NCCOC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H23ClN6O8/c1-12(28)23-15-10-17(22-4-5-33-2)19(35-7-6-34-3)11-16(15)24-25-20-14(21)8-13(26(29)30)9-18(20)27(31)32/h8-11,22H,4-7H2,1-3H3,(H,23,28)",C20H23ClN6O8,,,,,,DIJWTZBMIPOHKM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.357,277-416-6,73384-73-3,"1-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthyl]amino]-3-butoxypropan-2-ol","1-({4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthyl}amino)-3-butoxypropan-2-ol",Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCC(O)COCCCC)c1ccccc12)[N+]([O-])=O,Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCC(O)COCCCC)c1ccccc12)[N+]([O-])=O,"InChI=1/C23H24BrN5O6/c1-2-3-10-35-14-16(30)13-25-20-8-9-21(18-7-5-4-6-17(18)20)26-27-23-19(24)11-15(28(31)32)12-22(23)29(33)34/h4-9,11-12,16,25,30H,2-3,10,13-14H2,1H3",C23H24BrN5O6,,,,,,MUTUMPWEUGWUMV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.364,277-423-4,73385-91-8,N-(tert-butoxycarbonyl)-L-tyrosyl-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide,N-(tert-butoxycarbonyl)-L-tyrosylmethionylglycyl-3-(2-anilinopropanoyl)-4-nitro-L-prolinamide,CSCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N2CC(C([C@H]2C(=O)N)C(=O)[C@H](C)Nc3ccccc3)[N+](=O)[O-],CSCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N2CC(C([C@H]2C(=O)N)C(=O)[C@H](C)Nc3ccccc3)[N+](=O)[O-],"InChI=1/C35H47N7O10S/c1-20(38-22-9-7-6-8-10-22)30(45)28-26(42(50)51)19-41(29(28)31(36)46)27(44)18-37-32(47)24(15-16-53-5)39-33(48)25(40-34(49)52-35(2,3)4)17-21-11-13-23(43)14-12-21/h6-14,20,24-26,28-29,38,43H,15-19H2,1-5H3,(H2,36,46)(H,37,47)(H,39,48)(H,40,49)",C35H47N7O10S,,,,,,QEOWPALOBNICNQ-KEZAWSIZSA-N,,,,,,,,,,,
100.070.365,277-425-5,73393-27-8,Octadecyl L-tyrosinate,octadecyl L-tyrosinate,CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1,CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1,"InChI=1/C27H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)26(28)23-24-18-20-25(29)21-19-24/h18-21,26,29H,2-17,22-23,28H2,1H3",C27H47NO3,,,,,,OZSVSBMHEZAZTL-SANMLTNESA-N,,,,,,,,,,,
100.063.144,269-479-3,68240-12-0,Diallylmethylammonium acetate,N-allyl-N-methylprop-2-en-1-aminium acetate,C[NH+](CC=C)CC=C.CC(=O)[O-],C[NH+](CC=C)CC=C.CC(=O)[O-],"InChI=1/C7H13N.C2H4O2/c1-4-6-8(3)7-5-2;1-2(3)4/h4-5H,1-2,6-7H2,3H3;1H3,(H,3,4)",C7H13N.C2H4O2,,,,,,DTUPNZXTCFWJPT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.147,269-483-5,68244-05-3,(6R-cis)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC1=C(N2[C@@H](SC1)[C@H](NC(=O)Cc3ccccc3)C2=O)C(=O)O,CC1=C(N2[C@@H](SC1)[C@H](NC(=O)Cc3ccccc3)C2=O)C(=O)O,"InChI=1/C16H16N2O4S/c1-9-8-23-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)",C16H16N2O4S,,,,,,CIPQGGYPCPIDBB-DOMZBBRYSA-N,,,,,,,,,,,
100.063.154,269-490-3,68258-67-3,N-(2-ethyl-2-hexenyl)aniline,N-(2-ethylhex-2-en-1-yl)aniline,CCC(CNc1ccccc1)=CCCC,CCC(CNc1ccccc1)=CCCC,"InChI=1/C14H21N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h6-11,15H,3-5,12H2,1-2H3",C14H21N,,,,,,BYYMMAFVCCUWRF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.156,269-492-4,68258-70-8,"Formic acid, compound with N,N-dimethylformamide (1:1)","formic acid - N,N-dimethylformamide (1:1)",CN(C)C=O.OC=O,CN(C)C=O.OC=O,"InChI=1/C3H7NO.CH2O2/c1-4(2)3-5;2-1-3/h3H,1-2H3;1H,(H,2,3)",C3H7NO.CH2O2,,,,,,KGDLQPRAMMDEPD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.165,269-502-7,68258-99-1,"Sodium 4-[[1-[4-[[[[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-3-hydroxy-7-nitronaphthalene-1-sulphonate","sodium 3-hydroxy-4-({3-methyl-1-[4-({[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)phenyl]carbamoyl}amino)phenyl]-5-oxo-4,5-dihydro-1H-pyrazol-4-yl}diazenyl)-7-nitronaphthalene-1-sulfonate",[Na+].[O-][N+](=O)c1ccc6c(c1)c(cc(O)c6N=NC2C(=O)N(/N=C2/C)c3ccc(cc3)NC(=O)Nc4ccc(cc4)N5/N=C(/C)CC5=O)S([O-])(=O)=O,[Na+].[O-][N+](=O)c1ccc6c(c1)c(cc(O)c6N=NC2C(=O)N(/N=C2/C)c3ccc(cc3)NC(=O)Nc4ccc(cc4)N5/N=C(/C)CC5=O)S([O-])(=O)=O,"InChI=1/C31H25N9O9S.Na/c1-16-13-27(42)38(36-16)20-7-3-18(4-8-20)32-31(44)33-19-5-9-21(10-6-19)39-30(43)28(17(2)37-39)34-35-29-23-12-11-22(40(45)46)14-24(23)26(15-25(29)41)50(47,48)49;/h3-12,14-15,28,41H,13H2,1-2H3,(H2,32,33,44)(H,47,48,49);/q;+1/p-1",C31H25N9O9S.Na,,,,,,QGTVPHDLNMATTC-UHFFFAOYSA-M,,,,,,,,,,,
100.063.166,269-503-2,68259-00-7,Methyl 1-methyl-4-[(methylphenylhydrazono)methyl]pyridinium sulphate,1-methyl-4-[methyl(phenyl)carbonohydrazonoyl]pyridinium methyl sulfate,[O-]S(=O)(=O)OC.C[n+]2ccc(C=NN(C)c1ccccc1)cc2,[O-]S(=O)(=O)OC.C[n+]2ccc(C=NN(C)c1ccccc1)cc2,"InChI=1/C14H16N3.CH4O4S/c1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-5-6(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C14H16N3.CH3O4S,,,,,,LLLILZLFKGJCCV-UHFFFAOYSA-M,,,,,,,,,,,
100.046.959,251-670-8,33758-39-3,Ethyl(phenyl)carbamoyl chloride,ethyl(phenyl)carbamic chloride,CCN(C(=O)Cl)c1ccccc1,CCN(C(=O)Cl)c1ccccc1,"InChI=1/C9H10ClNO/c1-2-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3",C9H10ClNO,,,,,,CDGCUPPKLDOYGV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.967,251-679-7,33794-61-5,"(cis)-dihydro-2,5-dimethylfuran-3(2H)-one","2,5-dimethyldihydrofuran-3(2H)-one",C[C@@H]1CC(=O)[C@H](C)O1,C[C@@H]1CC(=O)[C@H](C)O1,"InChI=1/C6H10O2/c1-4-3-6(7)5(2)8-4/h4-5H,3H2,1-2H3",C6H10O2,,,,,,PAZYIUKTJFPTKT-UHNVWZDZSA-N,,,,,,,,,,,
100.046.968,251-680-2,33797-51-2,"N,N-dimethylmethyleneammonium iodide",N-methyl-N-methylenemethanaminium iodide,[I-].C[N+](=C)C,[I-].C[N+](=C)C,"InChI=1/C3H8N.HI/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1",C3H8N.I,,,,,,VVDUZZGYBOWDSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.970,251-682-3,33806-58-5,"Dihydro-3-(tetradecenyl)furan-2,5-dione","3-tetradec-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCC,"InChI=1/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h13-14,16H,2-12,15H2,1H3",C18H30O3,,,,,,URVNZJUYUMEJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.972,251-684-4,33813-20-6,"5,6-dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazole-3-thione","5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione",S=C1SSC2=NCCN12,S=C1SSC2=NCCN12,InChI=1/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2,C4H4N2S3,,,,,,BFTGQIQVUVTBJU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.981,251-694-9,33836-66-7,5-amino-2-(p-methoxyanilino)benzenesulphonic acid,5-amino-2-[(4-methoxyphenyl)amino]benzenesulfonic acid,COc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,COc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1,"InChI=1/C13H14N2O4S/c1-19-11-5-3-10(4-6-11)15-12-7-2-9(14)8-13(12)20(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18)",C13H14N2O4S,,,,,,YWELRXOUPXKKMC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.983,251-697-5,33843-20-8,"3-methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate",2-(1-acetoxy-1-methylethyl)-5-methylhex-4-en-1-yl acetate,CC(=CCC(COC(=O)C)C(C)(C)OC(=O)C)C,CC(=CCC(COC(=O)C)C(C)(C)OC(=O)C)C,"InChI=1/C14H24O4/c1-10(2)7-8-13(9-17-11(3)15)14(5,6)18-12(4)16/h7,13H,8-9H2,1-6H3",C14H24O4,,,,,,XTOSKBKRQCPSIT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.992,251-707-8,33869-97-5,"1-[2-[[[3,5-dichloro-4-[[4-[(2-cyanoethyl)methylamino]phenyl]azo]phenyl]sulphonyl]amino]ethyl]pyridinium chloride","1-[2-({[3,5-dichloro-4-({4-[(2-cyanoethyl)(methyl)amino]phenyl}diazenyl)phenyl]sulfonyl}amino)ethyl]pyridinium chloride",[Cl-].N#CCCN(C)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)S(=O)(=O)NCC[n+]3ccccc3,[Cl-].N#CCCN(C)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)S(=O)(=O)NCC[n+]3ccccc3,"InChI=1/C23H23Cl2N6O2S.ClH/c1-30(12-5-10-26)19-8-6-18(7-9-19)28-29-23-21(24)16-20(17-22(23)25)34(32,33)27-11-15-31-13-3-2-4-14-31;/h2-4,6-9,13-14,16-17,27H,5,11-12,15H2,1H3;1H/q+1;/p-1",C23H23Cl2N6O2S.Cl,,,,,,ZTDOWSYGFNKZEF-UHFFFAOYSA-M,,,,,,,,,,,
100.070.710,277-805-0,74298-65-0,"4-chloro-2',4'-dimethylbutyrophenone","4-chloro-1-(2,4-dimethylphenyl)butan-1-one",Cc1ccc(C(=O)CCCCl)c(C)c1,Cc1ccc(C(=O)CCCCl)c(C)c1,"InChI=1/C12H15ClO/c1-9-5-6-11(10(2)8-9)12(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3",C12H15ClO,,,,,,JVJAFFIEOZLZBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.717,277-812-9,74305-48-9,p-pentylphenyl p-pentylbenzoate,4-pentylphenyl 4-pentylbenzoate,CCCCCc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1,CCCCCc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1,"InChI=1/C23H30O2/c1-3-5-7-9-19-11-15-21(16-12-19)23(24)25-22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3",C23H30O2,,,,,,VWDNHTVWLXZZEK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.723,277-819-7,74332-33-5,"N,N-diethylanilinium phosphate","tris(N,N-diethylanilinium) phosphate",CC[NH+](CC)c1ccccc1.CC[NH+](CC)c2ccccc2.CC[NH+](CC)c3ccccc3.[O-]P(=O)([O-])[O-],CC[NH+](CC)c1ccccc1.CC[NH+](CC)c2ccccc2.CC[NH+](CC)c3ccccc3.[O-]P(=O)([O-])[O-],"InChI=1/3C10H15N.H3O4P/c3*1-3-11(4-2)10-8-6-5-7-9-10;1-5(2,3)4/h3*5-9H,3-4H2,1-2H3;(H3,1,2,3,4)",C10H15N.xH3O4P,,,,,,RALYAWFHNTWDAE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.727,277-823-9,74336-59-7,"3-[(4-chloro-2-nitrophenyl)azo]-2-methylpyrazolo[5,1-b]quinazolin-9(1H)-one","3-[(4-chloro-2-nitrophenyl)diazenyl]-2-methylpyrazolo[5,1-b]quinazolin-9(1H)-one",[O-][N+](=O)c4cc(Cl)ccc4N=N\\C\\1=C(/C)NN2C(=O)c3ccccc3\\N=C/12,[O-][N+](=O)c4cc(Cl)ccc4N=N\C\1=C(/C)NN2C(=O)c3ccccc3\N=C/12,"InChI=1/C17H11ClN6O3/c1-9-15(21-20-13-7-6-10(18)8-14(13)24(26)27)16-19-12-5-3-2-4-11(12)17(25)23(16)22-9/h2-8,22H,1H3",C17H11ClN6O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10742,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.727,XJYVVHWZCYUMQY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.728,277-824-4,74336-60-0,"1-[(5,7-dichloro-1,9-dihydro-2-methyl-9-oxopyrazolo[5,1-b]quinazolin-3-yl)azo]anthraquinone","1-[(5,7-dichloro-2-methyl-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazolin-3-yl)diazenyl]-9,10-anthraquinone",O=C5c4cccc(N=N\\C3=C(/C)NN2C3=N\\c1c(Cl)cc(Cl)cc1C2=O)c4C(=O)c6ccccc56,O=C5c4cccc(N=N\C3=C(/C)NN2C3=N\c1c(Cl)cc(Cl)cc1C2=O)c4C(=O)c6ccccc56,"InChI=1/C25H13Cl2N5O3/c1-11-20(24-28-21-16(25(35)32(24)31-11)9-12(26)10-17(21)27)30-29-18-8-4-7-15-19(18)23(34)14-6-3-2-5-13(14)22(15)33/h2-10,31H,1H3",C25H13Cl2N5O3,,,,,,OOWAWKKKXJSMTD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.730,277-827-0,74347-10-7,1-dimethylamino-2-methylbutan-2-ol,1-(dimethylamino)-2-methylbutan-2-ol,CCC(C)(O)CN(C)C,CCC(C)(O)CN(C)C,"InChI=1/C7H17NO/c1-5-7(2,9)6-8(3)4/h9H,5-6H2,1-4H3",C7H17NO,,,,,,AGXSAKYCANEZGX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.624,278-809-5,77997-18-3,"p-[(1,2-dihydro-2-oxooxazolo[5,4-d]pyrimidin-5-yl)amino]benzenesulphonamide","4-[(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]benzenesulfonamide",NS(=O)(=O)c1ccc(Nc2ncc3NC(=O)Oc3n2)cc1,NS(=O)(=O)c1ccc(Nc2ncc3NC(=O)Oc3n2)cc1,"InChI=1/C11H9N5O4S/c12-21(18,19)7-3-1-6(2-4-7)14-10-13-5-8-9(16-10)20-11(17)15-8/h1-5H,(H,15,17)(H2,12,18,19)(H,13,14,16)",C11H9N5O4S,,,,,,XBASUSSOCXMTPU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.256,280-605-6,83732-56-3,"[1,4'-bipiperidine]-4'-carboxamide dihydrochloride","1,4'-bipiperidine-4'-carboxamide dihydrochloride",Cl.Cl.NC(=O)C1(CCNCC1)N2CCCCC2,Cl.Cl.NC(=O)C1(CCNCC1)N2CCCCC2,"InChI=1/C11H21N3O.2ClH/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14;;/h13H,1-9H2,(H2,12,15);2*1H",C11H21N3O.2ClH,,,,,,WXEPVBJQEMWWQF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.266,280-616-6,83732-66-5,"Sodium 4,6-dihydroxynaphthalene-2-sulphonate","sodium 4,6-dihydroxynaphthalene-2-sulfonate",[Na+].Oc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-],[Na+].Oc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-],"InChI=1/C10H8O5S.Na/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;/h1-5,11-12H,(H,13,14,15);/q;+1/p-1",C10H8O5S.Na,,,,,,KJIKTXVDOGQVIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.073.267,280-617-1,83732-67-6,"Disodium 3-(acetylamino)-8-hydroxynaphthalene-1,5-disulphonate","disodium 3-acetamido-8-hydroxynaphthalene-1,5-disulfonate",[Na+].[Na+].CC(=O)Nc1cc(c2c(O)ccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CC(=O)Nc1cc(c2c(O)ccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C12H11NO8S2.2Na/c1-6(14)13-7-4-8-10(22(16,17)18)3-2-9(15)12(8)11(5-7)23(19,20)21;;/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2",C12H11NO8S2.2Na,,,,,,QAOQPYFYRVMVFK-UHFFFAOYSA-L,,,,,,,,,,,
100.073.274,280-625-5,83732-74-5,N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide,N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide,CN1CCCC1CCNC(=O)C,CN1CCCC1CCNC(=O)C,"InChI=1/C9H18N2O/c1-8(12)10-6-5-9-4-3-7-11(9)2/h9H,3-7H2,1-2H3,(H,10,12)",C9H18N2O,,,,,,ICPOSULTPHUPHV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.567,282-050-5,84083-02-3,"Docosanoic acid, compound with 2,2'-iminodiethanol (1:1)","docosanoic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO,CCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO,"InChI=1/C22H44O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;6-3-1-5-2-4-7/h2-21H2,1H3,(H,23,24);5-7H,1-4H2",C22H44O2.C4H11NO2,,,,,,OOBYKZQUBZATHI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.568,282-051-0,84083-03-4,"Docosanoic acid, compound with 2-aminoethanol (1:1)",docosanoic acid - 2-aminoethanol (1:1),CCCCCCCCCCCCCCCCCCCCCC(=O)O.NCCO,CCCCCCCCCCCCCCCCCCCCCC(=O)O.NCCO,"InChI=1/C22H44O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;3-1-2-4/h2-21H2,1H3,(H,23,24);4H,1-3H2",C22H44O2.C2H7NO,,,,,,QVUATPXGZQRMDK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.574,282-057-3,84083-09-0,"Disodium m-[4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 3-{4-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3C(\\C)=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3C(\C)=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O,"InChI=1/C20H22N4O11S3.2Na/c1-12-9-16(17(34-3)11-18(12)36(26,27)8-7-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-5-4-6-15(10-14)37(28,29)30;;/h4-6,9-11,19H,7-8H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H22N4O11S3.2Na,,,,,,SMFFPJXMOAERFY-UHFFFAOYSA-L,,,,,,,,,,,
100.074.575,282-058-9,84083-10-3,"Trisodium 5-(acetylamino)-4-hydroxy-3-[[4-[[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]naphthalene-2,7-disulphonate","trisodium 5-acetamido-4-hydroxy-3-({4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)carbamoyl]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc4ccc(cc4NC(=O)c3ccc(N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].[Na+].COc4ccc(cc4NC(=O)c3ccc(N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C28H26N4O16S4.3Na/c1-15(33)29-22-14-20(50(38,39)40)11-17-12-24(51(41,42)43)26(27(34)25(17)22)32-31-18-5-3-16(4-6-18)28(35)30-21-13-19(7-8-23(21)47-2)49(36,37)10-9-48-52(44,45)46;;;/h3-8,11-14,34H,9-10H2,1-2H3,(H,29,33)(H,30,35)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3",C28H26N4O16S4.3Na,,,,,,SHYRGBKFDOFNBB-UHFFFAOYSA-K,,,,,,,,,,,
100.074.581,282-065-7,84083-16-9,p-[(p-anilinophenyl)azo]phenol,4-[(4-anilinophenyl)diazenyl]phenol,Oc3ccc(N=Nc2ccc(Nc1ccccc1)cc2)cc3,Oc3ccc(N=Nc2ccc(Nc1ccccc1)cc2)cc3,"InChI=1/C18H15N3O/c22-18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19,22H",C18H15N3O,,,,,,CTKXBMUNSDITJP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.583,282-067-8,84083-18-1,"2,7-bis(3-methoxypropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone","2,7-bis(3-methoxypropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone",COCCCN1C(=O)c2ccc3C(=O)N(CCCOC)C(=O)c4ccc(C1=O)c2c34,COCCCN1C(=O)c2ccc3C(=O)N(CCCOC)C(=O)c4ccc(C1=O)c2c34,"InChI=1/C22H22N2O6/c1-29-11-3-9-23-19(25)13-5-7-15-18-16(8-6-14(17(13)18)20(23)26)22(28)24(21(15)27)10-4-12-30-2/h5-8H,3-4,9-12H2,1-2H3",C22H22N2O6,,,,,,VZEBIJMLBREBNW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.818,255-919-1,42726-73-8,tert-butyl methyl malonate,tert-butyl methyl malonate,COC(=O)CC(=O)OC(C)(C)C,COC(=O)CC(=O)OC(C)(C)C,"InChI=1/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3",C8H14O4,,,,,,XPSYZCWYRWHVCC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.819,255-920-7,42727-95-7,"Tetrahydro-2-hydroxy-4H-1,3,6,2-dioxazaborocine","1,3,6,2-dioxazaborocan-2-ol",OB1OCCNCCO1,OB1OCCNCCO1,"InChI=1/C4H10BNO3/c7-5-8-3-1-6-2-4-9-5/h6-7H,1-4H2",C4H10BNO3,,,,,,ZGHXEEFARUMNRD-UHFFFAOYSA-N,,,,,,,,,,,
100.076.143,283-788-0,84712-97-0,2-[[[4-(phenylazo)phenyl]methyl]sulphonyl]ethanol,2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethanol,OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2,"InChI=1/C15H16N2O3S/c18-10-11-21(19,20)12-13-6-8-15(9-7-13)17-16-14-4-2-1-3-5-14/h1-9,18H,10-12H2",C15H16N2O3S,,,,,,SPHUPSSBTALAES-UHFFFAOYSA-N,,,,,,,,,,,
100.076.148,283-793-8,84713-02-0,"Ammonium copper(2+) 2-hydroxypropane-1,2,3-tricarboxylate",ammonium copper(2+) citrate,[NH4+].[Cu+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[Cu+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Cu.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+2;/p-2",C6H8O7.xCu.xH3N,,,,,,ZDZVEOUGLQZYGS-UHFFFAOYSA-L,,,,,,,,,,,
100.076.178,283-827-1,84731-68-0,Bis(3-cyclohexylpropyl) adipate,bis(3-cyclohexylpropyl) adipate,O=C(CCCCC(=O)OCCCC1CCCCC1)OCCCC2CCCCC2,O=C(CCCCC(=O)OCCCC1CCCCC1)OCCCC2CCCCC2,"InChI=1/C24H42O4/c25-23(27-19-9-15-21-11-3-1-4-12-21)17-7-8-18-24(26)28-20-10-16-22-13-5-2-6-14-22/h21-22H,1-20H2",C24H42O4,,,,,,LVUGJOSLIZEIRL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.996,251-712-5,33878-10-3,"Malonic acid, barium salt",barium malonate,[Ba+2].[O-]C(=O)CC(=O)[O-],[Ba+2].[O-]C(=O)CC(=O)[O-],"InChI=1/C3H4O4.Ba/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+2/p-2",C3H4O4.Ba,,,,,,NINLDBMTAAKRTR-UHFFFAOYSA-L,,,,,,,,,,,
100.047.126,251-855-3,34160-24-2,"2,5-dimethoxyfuran","2,5-dimethoxyfuran",COc1oc(OC)cc1,COc1oc(OC)cc1,"InChI=1/C6H8O3/c1-7-5-3-4-6(8-2)9-5/h3-4H,1-2H3",C6H8O3,,,,,,KXZIBRUIJDEWKY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.140,251-871-0,34197-46-1,4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride,4-methyl-2-oxo-2H-chromen-7-yl 4-carbamimidamidobenzoate hydrochloride,Cl.CC1=CC(=O)Oc2cc(OC(=O)c3ccc(NC(=N)N)cc3)ccc12,Cl.CC1=CC(=O)Oc2cc(OC(=O)c3ccc(NC(=N)N)cc3)ccc12,"InChI=1/C18H15N3O4.ClH/c1-10-8-16(22)25-15-9-13(6-7-14(10)15)24-17(23)11-2-4-12(5-3-11)21-18(19)20;/h2-9H,1H3,(H4,19,20,21);1H",C18H15N3O4.ClH,,,,,,DAFWZROYEOVJAL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.141,251-872-6,34199-07-0,"[R-(R*,R*)]-3,3'-dithiobis[2-amino-N-(4-nitrophenyl)propionamide]","N,N'-bis(4-nitrophenyl)cystinamide",NC(CSSCC(N)C(=O)Nc1ccc(cc1)N(=O)=O)C(=O)Nc2ccc(cc2)N(=O)=O,NC(CSSCC(N)C(=O)Nc1ccc(cc1)N(=O)=O)C(=O)Nc2ccc(cc2)N(=O)=O,"InChI=1/C18H20N6O6S2/c19-15(17(25)21-11-1-5-13(6-2-11)23(27)28)9-31-32-10-16(20)18(26)22-12-3-7-14(8-4-12)24(29)30/h1-8,15-16H,9-10,19-20H2,(H,21,25)(H,22,26)",C18H20N6O6S2,,,,,,UDNQCHDHUMEZRM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.142,251-873-1,34199-87-6,"2-bromo-6-(1,3-dioxolan-2-yl)pyridine","2-bromo-6-(1,3-dioxolan-2-yl)pyridine",Brc1cccc(n1)C2OCCO2,Brc1cccc(n1)C2OCCO2,"InChI=1/C8H8BrNO2/c9-7-3-1-2-6(10-7)8-11-4-5-12-8/h1-3,8H,4-5H2",C8H8BrNO2,,,,,,SYSRNUAOBOQPPX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.154,251-886-2,34217-60-2,a-methylpiperidine-1-ethylamine,1-piperidin-1-ylpropan-2-amine,CC(N)CN1CCCCC1,CC(N)CN1CCCCC1,"InChI=1/C8H18N2/c1-8(9)7-10-5-3-2-4-6-10/h8H,2-7,9H2,1H3",C8H18N2,,,,,,ZFDABCDCTKLGOK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.156,251-888-3,34225-81-5,3-methylindene-2-carboxylic acid,3-methyl-1H-indene-2-carboxylic acid,CC1=C(Cc2ccccc12)C(=O)O,CC1=C(Cc2ccccc12)C(=O)O,"InChI=1/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)",C11H10O2,,,,,,RONBYWGSEXDEKC-UHFFFAOYSA-N,,,,,,,,,,,
100.047.157,251-889-9,34231-26-0,1-amino-4-hydroxy-2-[(6-hydroxyhexyl)oxy]anthraquinone,"1-amino-4-hydroxy-2-[(6-hydroxyhexyl)oxy]-9,10-anthraquinone",Nc1c(OCCCCCCO)cc(O)c2C(=O)c3ccccc3C(=O)c12,Nc1c(OCCCCCCO)cc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H21NO5/c21-18-15(26-10-6-2-1-5-9-22)11-14(23)16-17(18)20(25)13-8-4-3-7-12(13)19(16)24/h3-4,7-8,11,22-23H,1-2,5-6,9-10,21H2",C20H21NO5,,,,,,RQLMZSLFKGNXTO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.161,251-894-6,34237-23-5,Potassium L-alaninate,potassium 2-aminopropanoate,[K+].C[C@H](N)C(=O)[O-],[K+].C[C@H](N)C(=O)[O-],"InChI=1/C3H7NO2.K/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);/q;+1/p-1",C3H7NO2.K,,,,,,UJLZCNZPJMYEKF-DKWTVANSSA-M,,,,,,,,,,,
100.047.162,251-895-1,34245-14-2,"3-(3,4-dimethoxyphenyl)-2-methyl-6-methylaminohexane-3-carbonitrile","2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile",CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1,CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1,"InChI=1/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3",C17H26N2O2,,,,,,WLOBUUJURNEQCL-UHFFFAOYSA-N,Positive,AU204501|AU204502|AU204503|AU204504|AU204505;EA263701|EA263702|EA263703|EA263704|EA263705|EA263706|EA263707|EA263708|EA263709|EA263710|EA263711|EA263712|EA263713|EA263714,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,291.2072:292.2105:293.2133|291.2067:260.1643:292.2105|151.0744:177.0901:165.0902|151.0743:165.0899:177.09|151.0743:146.059:165.0898;248.1523:260.1649:243.1382|291.2073|291.2071:260.1646:248.1522|260.1647:291.2068:151.0754|151.0754:165.0911:177.0911|151.0755:165.0912:138.0678|151.0754:107.0492:146.0726|291.207:260.165:248.1529|291.207:260.1646:248.1519|291.2068:260.1644:151.0754|151.0755:165.0911:177.091|151.0755:165.0911:138.0676|151.0754:107.0492:146.0727|248.1522:260.1648:177.0911,Athens_Univ;Eawag,,,,,
100.070.749,277-848-5,74398-44-0,3-(2-hydroxyphenyl)pyrazole hydrochloride,2-(1H-pyrazol-3-yl)phenol hydrochloride,Cl.Oc1ccccc1c2cc[nH]n2,Cl.Oc1ccccc1c2cc[nH]n2,"InChI=1/C9H8N2O.ClH/c12-9-4-2-1-3-7(9)8-5-6-10-11-8;/h1-6,12H,(H,10,11);1H",C9H8N2O.xClH,,,,,,PAZFJFSPMPXIEP-UHFFFAOYSA-N,,,,,,,,,,,
100.063.168,269-505-3,68259-02-9,"Pentasodium 4-amino-6-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","pentasodium 4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C25H19ClN10O16S5.5Na/c26-23-30-24(28)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(27)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,37H,27H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H3,28,29,30,31,32);;;;;/q;5*+1/p-5",C25H19ClN10O16S5.5Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11272,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.168,UYAABLNBFLLCJA-UHFFFAOYSA-I,,,,,,,,,,,
100.063.169,269-506-9,68259-04-1,"Disodium dihydrogen [[4,4'-bis[[1-hydroxy-6-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-3,3'-diyl]bis(oxy)]diacetate","disodium dihydrogen 2,2'-{[4,4'-bis({1-hydroxy-6-[(4-{[(2-methoxyethoxy)carbonyl]amino}phenyl)amino]-3-sulfonato-2-naphthyl}diazenyl)biphenyl-3,3'-diyl]bis(oxy)}diacetate",[H+].[H+].[Na+].[Na+].COCCOC(=O)Nc1ccc(cc1)Nc7cc8cc(c(N=Nc2ccc(cc2OCC([O-])=O)c3cc(OCC([O-])=O)c(cc3)N=Nc6c(cc5cc(Nc4ccc(NC(=O)OCCOC)cc4)ccc5c6O)S([O-])(=O)=O)c(O)c8cc7)S([O-])(=O)=O,[H+].[H+].[Na+].[Na+].COCCOC(=O)Nc1ccc(cc1)Nc7cc8cc(c(N=Nc2ccc(cc2OCC([O-])=O)c3cc(OCC([O-])=O)c(cc3)N=Nc6c(cc5cc(Nc4ccc(NC(=O)OCCOC)cc4)ccc5c6O)S([O-])(=O)=O)c(O)c8cc7)S([O-])(=O)=O,"InChI=1/C56H50N8O20S2.2Na.2H2/c1-79-19-21-81-55(71)59-37-9-5-35(6-10-37)57-39-13-15-41-33(23-39)27-47(85(73,74)75)51(53(41)69)63-61-43-17-3-31(25-45(43)83-29-49(65)66)32-4-18-44(46(26-32)84-30-50(67)68)62-64-52-48(86(76,77)78)28-34-24-40(14-16-42(34)54(52)70)58-36-7-11-38(12-8-36)60-56(72)82-22-20-80-2;;;;/h3-18,23-28,57-58,69-70H,19-22,29-30H2,1-2H3,(H,59,71)(H,60,72)(H,65,66)(H,67,68)(H,73,74,75)(H,76,77,78);;;2*1H/q;4*+1/p-4",C56H50N8O20S2.2Na,,,,,,SRPPSSDNGIFMLC-UHFFFAOYSA-L,,,,,,,,,,,
100.075.763,283-367-1,84604-83-1,[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl] (4-methylphenyl) ketone hydrochloride,{4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl}(4-methylphenyl)methanone hydrochloride,Cl.CCN(CC)CCOc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,Cl.CCN(CC)CCOc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,"InChI=1/C20H25NO3.ClH/c1-4-21(5-2)12-13-24-17-10-11-18(19(22)14-17)20(23)16-8-6-15(3)7-9-16;/h6-11,14,22H,4-5,12-13H2,1-3H3;1H",C20H25NO3.ClH,,,,,,OQHOMAPBCAZVBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.771,283-376-0,84604-91-1,"2,2'-methylenebis[5-chlorotoluene]","1,1'-methylenebis(4-chloro-2-methylbenzene)",Cc1cc(Cl)ccc1Cc2ccc(Cl)cc2C,Cc1cc(Cl)ccc1Cc2ccc(Cl)cc2C,"InChI=1/C15H14Cl2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h3-8H,9H2,1-2H3",C15H14Cl2,,,,,,GWWGPHYWSMOSOL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.773,283-378-1,84604-93-3,"1,3,5-triheptylhexahydro-1,3,5-triazine","1,3,5-triheptyl-1,3,5-triazinane",CCCCCCCN1CN(CCCCCCC)CN(CCCCCCC)C1,CCCCCCCN1CN(CCCCCCC)CN(CCCCCCC)C1,"InChI=1/C24H51N3/c1-4-7-10-13-16-19-25-22-26(20-17-14-11-8-5-2)24-27(23-25)21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51N3,,,,,,MRRLWMPJSDXXFC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.779,283-384-4,84604-99-9,"5-chloro-1,3-dihydro-1-(4-piperidinyl)-1H-benzimidazole-2-thione","5-chloro-1-piperidin-4-yl-1,3-dihydro-2H-benzimidazole-2-thione",Clc1ccc2N(C3CCNCC3)C(=S)Nc2c1,Clc1ccc2N(C3CCNCC3)C(=S)Nc2c1,"InChI=1/C12H14ClN3S/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)",C12H14ClN3S,,,,,,BEWMOLNFHXEXSM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.667,284-364-8,84852-51-7,"Bis(2,3-dibromopropyl)cyanamide","bis(2,3-dibromopropyl)cyanamide",BrCC(Br)CN(CC(Br)CBr)C#N,BrCC(Br)CN(CC(Br)CBr)C#N,"InChI=1/C7H10Br4N2/c8-1-6(10)3-13(5-12)4-7(11)2-9/h6-7H,1-4H2",C7H10Br4N2,,,,,,QIEVNVIKXIIIQU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.677,284-375-8,84864-53-9,"2-[4-[1-methyl-1-[4-[2-[(1-oxoallyl)oxy]ethoxy]phenyl]ethyl]phenoxy]ethyl N,N-diethyl-ß-alaninate","2-[4-(1-{4-[2-(acryloyloxy)ethoxy]phenyl}-1-methylethyl)phenoxy]ethyl N,N-diethyl-beta-alaninate",CCN(CC)CCC(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)C=C)cc2,CCN(CC)CCC(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)C=C)cc2,"InChI=1/C29H39NO6/c1-6-27(31)35-21-19-33-25-13-9-23(10-14-25)29(4,5)24-11-15-26(16-12-24)34-20-22-36-28(32)17-18-30(7-2)8-3/h6,9-16H,1,7-8,17-22H2,2-5H3",C29H39NO6,,,,,,LXJDZBHLBVBEEY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.683,284-382-6,84864-59-5,Diammonium D-glucarate,"diammonium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[NH4+].[NH4+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[NH4+].[NH4+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/C6H10O8.2H3N/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);2*1H3",C6H10O8.2H3N,,,,,,LZWIOJIGSVGZID-SDFKWCIISA-N,,,,,,,,,,,
100.070.507,277-580-9,73734-07-3,Ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate,ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3[nH]2,CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3[nH]2,"InChI=1/C15H20N4O2/c1-2-21-15(20)19-9-7-11(8-10-19)16-14-17-12-5-3-4-6-13(12)18-14/h3-6,11H,2,7-10H2,1H3,(H2,16,17,18)",C15H20N4O2,,,,,,IMLIPHSGYFXWAA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.734,277-831-2,74347-30-1,"2-imino-3,4-dimethyl-5-phenylthiazolidine theophyllin-7-ylacetate","(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid - 3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine (1:1)",CC1C(SC(=N)N1C)c2ccccc2.CN3C(=O)N(C)c4ncn(CC(=O)O)c4C3=O,CC1C(SC(=N)N1C)c2ccccc2.CN3C(=O)N(C)c4ncn(CC(=O)O)c4C3=O,"InChI=1/C11H14N2S.C9H10N4O4/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-8,10,12H,1-2H3;4H,3H2,1-2H3,(H,14,15)",C11H14N2S.C9H10N4O4,,,,,,BKWSJDFLCCQAGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.742,277-840-1,74359-02-7,"2,2,2-trifluoroethyl 2-chloroacrylate","2,2,2-trifluoroethyl 2-chloroacrylate",FC(F)(F)COC(=O)C(=C)Cl,FC(F)(F)COC(=O)C(=C)Cl,"InChI=1/C5H4ClF3O2/c1-3(6)4(10)11-2-5(7,8)9/h1-2H2",C5H4ClF3O2,,,,,,BOASSOYETJYEJF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.743,277-841-7,74367-78-5,"a-chloro-3,5-dinitrotoluene","1-(chloromethyl)-3,5-dinitrobenzene",[O-][N+](=O)c1cc(CCl)cc(c1)[N+](=O)[O-],[O-][N+](=O)c1cc(CCl)cc(c1)[N+](=O)[O-],"InChI=1/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2",C7H5ClN2O4,,,,,,SMJODKZAFKWUJG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.745,277-843-8,74367-92-3,N-ethylanilinium phosphate,tris(N-ethylanilinium) phosphate,CC[NH2+]c1ccccc1.CC[NH2+]c2ccccc2.CC[NH2+]c3ccccc3.[O-]P(=O)([O-])[O-],CC[NH2+]c1ccccc1.CC[NH2+]c2ccccc2.CC[NH2+]c3ccccc3.[O-]P(=O)([O-])[O-],"InChI=1/3C8H11N.H3O4P/c3*1-2-9-8-6-4-3-5-7-8;1-5(2,3)4/h3*3-7,9H,2H2,1H3;(H3,1,2,3,4)",C8H11N.xH3O4P,,,,,,ADOCCZOIRPSBHU-UHFFFAOYSA-N,,,,,,,,,,,
100.050.773,255-870-6,42528-99-4,4-(2-acetoxyacetyl)phenyl acetate,4-(acetoxyacetyl)phenyl acetate,CC(=O)OCC(=O)c1ccc(OC(=O)C)cc1,CC(=O)OCC(=O)c1ccc(OC(=O)C)cc1,"InChI=1/C12H12O5/c1-8(13)16-7-12(15)10-3-5-11(6-4-10)17-9(2)14/h3-6H,7H2,1-2H3",C12H12O5,,,,,,UYGKCTFMRDCXJL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.787,255-885-8,42565-22-0,"trans-cyclooctane-1,2-diol","cyclooctane-1,2-diol",O[C@H]1CCCCCC[C@@H]1O,O[C@H]1CCCCCC[C@@H]1O,"InChI=1/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2",C8H16O2,,,,,,HUSOFJYAGDTKSK-YUMQZZPRSA-N,,,,,,,,,,,
100.050.790,255-888-4,42571-81-3,o-cumenyl chloroformate,2-isopropylphenyl chlorocarbonate,CC(C)c1ccccc1OC(=O)Cl,CC(C)c1ccccc1OC(=O)Cl,"InChI=1/C10H11ClO2/c1-7(2)8-5-3-4-6-9(8)13-10(11)12/h3-7H,1-2H3",C10H11ClO2,,,,,,PACHGVCDFBIVDA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.796,255-895-2,42577-04-8,N-cyclohexyloctanamide,N-cyclohexyloctanamide,CCCCCCCC(=O)NC1CCCCC1,CCCCCCCC(=O)NC1CCCCC1,"InChI=1/C14H27NO/c1-2-3-4-5-9-12-14(16)15-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H,15,16)",C14H27NO,,,,,,RHOCTPBIKTXDST-UHFFFAOYSA-N,,,,,,,,,,,
100.050.801,255-900-8,42589-21-9,"1,1'-dithiodipropan-2-ol","1,1'-disulfanediyldipropan-2-ol",CC(O)CSSCC(C)O,CC(O)CSSCC(C)O,"InChI=1/C6H14O2S2/c1-5(7)3-9-10-4-6(2)8/h5-8H,3-4H2,1-2H3",C6H14O2S2,,,,,,AHRDMVQGWCOCQL-UHFFFAOYSA-N,,,,,,,,,,,
100.050.802,255-901-3,42594-17-2,"(octahydro-4,7-methano-1H-indenediyl)bis(methylene) diacrylate","octahydro-1H-4,7-methanoindene-1,1-diylbis(methylene) bisacrylate",C=CC(=O)OCC1(COC(=O)C=C)CCC2C3CCC(C3)C12,C=CC(=O)OCC1(COC(=O)C=C)CCC2C3CCC(C3)C12,"InChI=1/C18H24O4/c1-3-15(19)21-10-18(11-22-16(20)4-2)8-7-14-12-5-6-13(9-12)17(14)18/h3-4,12-14,17H,1-2,5-11H2",C18H24O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10270,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.802,PZNDAFXCSGEOQT-UHFFFAOYSA-N,,,,,,,,,,,
100.050.803,255-902-9,42595-45-9,"Bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl] methyl phosphonate P,P'-dioxide","bis[(5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphinan-5-yl)methyl] methylphosphonate",CCC1(COP(=O)(C)OCC2(CC)COP(=O)(C)OC2)COP(=O)(C)OC1,CCC1(COP(=O)(C)OCC2(CC)COP(=O)(C)OC2)COP(=O)(C)OC1,"InChI=1/C15H31O9P3/c1-6-14(8-19-25(3,16)20-9-14)12-23-27(5,18)24-13-15(7-2)10-21-26(4,17)22-11-15/h6-13H2,1-5H3",C15H31O9P3,,,,,,WUGSTSBQFHQUJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.804,255-903-4,42597-49-9,Butyl hydrogen tetrabromophthalate,"2,3,4,5-tetrabromo-6-(butoxycarbonyl)benzoic acid",CCCCOC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,CCCCOC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,"InChI=1/C12H10Br4O4/c1-2-3-4-20-12(19)6-5(11(17)18)7(13)9(15)10(16)8(6)14/h2-4H2,1H3,(H,17,18)",C12H10Br4O4,,,,,,NMYAGQGGKVRMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.050.805,255-905-5,42598-88-9,Tris[2-(2-ethoxyethoxy)ethyl] borate,tris[2-(2-ethoxyethoxy)ethyl] borate,CCOCCOCCOB(OCCOCCOCC)OCCOCCOCC,CCOCCOCCOB(OCCOCCOCC)OCCOCCOCC,"InChI=1/C18H39BO9/c1-4-20-7-10-23-13-16-26-19(27-17-14-24-11-8-21-5-2)28-18-15-25-12-9-22-6-3/h4-18H2,1-3H3",C18H39BO9,,,,,,KIIAGUXVNQQAHX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.806,255-906-0,42598-96-9,Heptyl acetoacetate,heptyl 3-oxobutanoate,CCCCCCCOC(=O)CC(=O)C,CCCCCCCOC(=O)CC(=O)C,"InChI=1/C11H20O3/c1-3-4-5-6-7-8-14-11(13)9-10(2)12/h3-9H2,1-2H3",C11H20O3,,,,,,YAVJSVDUZGIQPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.810,255-910-2,42608-87-7,Tris(2-hydroxyethyl)ammonium 2-(dodecyloxy)ethyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 2-(dodecyloxy)ethyl sulfate",CCCCCCCCCCCCOCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCCCOCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C14H30O5S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;8-4-1-7(2-5-9)3-6-10/h2-14H2,1H3,(H,15,16,17);8-10H,1-6H2",C14H30O5S.C6H15NO3,,,,,,BPWXLHABHDYGTI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.585,282-069-9,84083-20-5,Ethyl [[2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl]thio]acetate,ethyl {[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propyl]sulfanyl}acetate,CCOC(=O)CSCC(C)C1CC=C(C)C(=O)C1,CCOC(=O)CSCC(C)C1CC=C(C)C(=O)C1,"InChI=1/C14H22O3S/c1-4-17-14(16)9-18-8-11(3)12-6-5-10(2)13(15)7-12/h5,11-12H,4,6-9H2,1-3H3",C14H22O3S,,,,,,WNVHAXMFWZJTDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.189,284-938-8,84989-47-9,"Phosphoric acid, octyl ester, compd. with 2-aminoethanol",octyl dihydrogen phosphate - 2-aminoethanol (1:1),CCCCCCCCOP(=O)(O)O.NCCO,CCCCCCCCOP(=O)(O)O.NCCO,"InChI=1/C8H19O4P.C2H7NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;3-1-2-4/h2-8H2,1H3,(H2,9,10,11);4H,1-3H2",-,,,,,,PPNDYVIPTVFCQR-UHFFFAOYSA-N,,,,,,,,,,,
100.077.192,284-941-4,84989-52-6,"[3-[[9,10-dihydro-9,10-dioxo-4-(p-toluidino)-1-anthryl]amino]propyl]trimethylammonium chloride, compound with zinc chloride","[3-[[9,10-dihydro-9,10-dioxo-4-(p-toluidino)-1-anthryl]amino]propyl]trimethylammonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)cc1,[Cl-].[Cl-].[Cl-].[Zn+2].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C27H29N3O2.3ClH.Zn/c1-18-10-12-19(13-11-18)29-23-15-14-22(28-16-7-17-30(2,3)4)24-25(23)27(32)21-9-6-5-8-20(21)26(24)31;;;;/h5-6,8-15H,7,16-17H2,1-4H3,(H-,28,29,31,32);3*1H;/q;;;;+2/p-2",C27H30N3O2.xCl2Zn.Cl,,,,,,WTZSNSYRHKDLCA-UHFFFAOYSA-L,,,,,,,,,,,
100.077.196,284-946-1,84994-31-0,"1-amino-1,2-dihydro-5H-tetrazole-5-thione","1-amino-1,2-dihydro-5H-tetrazole-5-thione",NN1NN=NC1=S,NN1NN=NC1=S,"InChI=1/CH3N5S/c2-6-1(7)3-4-5-6/h2H2,(H,3,5,7)",CH3N5S,,,,,,KRINVAVVCSZIDB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.380,278-540-3,76751-08-1,N-[3-(diethylamino)phenyl]butyramide,N-[3-(diethylamino)phenyl]butanamide,CCCC(=O)Nc1cccc(c1)N(CC)CC,CCCC(=O)Nc1cccc(c1)N(CC)CC,"InChI=1/C14H22N2O/c1-4-8-14(17)15-12-9-7-10-13(11-12)16(5-2)6-3/h7,9-11H,4-6,8H2,1-3H3,(H,15,17)",C14H22N2O,,,,,,CZGBOOOASWOIKL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.381,278-541-9,76752-82-4,"Heptadecafluorooctane-1-sulphonamide, compound with triethylamine (1:1)","1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide - N,N-diethylethanamine (1:1)",CCN(CC)CC.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC)CC.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H2F17NO2S.C6H15N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-4-7(5-2)6-3/h(H2,26,27,28);4-6H2,1-3H3",C8H2F17NO2S.C6H15N,,,,,,QLNGJPWJYNIYOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.387,278-548-7,76783-35-2,Benzhydryl 5-oxo-L-prolinate,diphenylmethyl 5-oxo-L-prolinate,O=C(OC(c1ccccc1)c2ccccc2)[C@@H]3CCC(=O)N3,O=C(OC(c1ccccc1)c2ccccc2)[C@@H]3CCC(=O)N3,"InChI=1/C18H17NO3/c20-16-12-11-15(19-16)18(21)22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,19,20)",C18H17NO3,,,,,,PEVMOWGDBVQWCM-HNNXBMFYSA-N,,,,,,,,,,,
100.071.388,278-549-2,76784-40-2,"1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]ethan-1-one","1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]ethanone",CC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,CC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,"InChI=1/C12H10F6O3/c1-7(19)9-4-8(20-5-11(13,14)15)2-3-10(9)21-6-12(16,17)18/h2-4H,5-6H2,1H3",C12H10F6O3,,,,,,CUKRFIGOPWVJGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.390,278-551-3,76788-46-0,"2-ethyl-2,5-dihydro-4,5-dimethylthiazole","2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole",CCC1SC(C)C(=N1)C,CCC1SC(C)C(=N1)C,"InChI=1/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3",C7H13NS,,,,,,CSACPVARWHDAET-UHFFFAOYSA-N,,,,,,,,,,,
100.071.392,278-553-4,76806-14-9,o-[(6-isocyanatohexyl)thio]phenyl isocyanate,1-isocyanato-2-[(6-isocyanatohexyl)sulfanyl]benzene,O=C=NCCCCCCSc1ccccc1N=C=O,O=C=NCCCCCCSc1ccccc1N=C=O,"InChI=1/C14H16N2O2S/c17-11-15-9-5-1-2-6-10-19-14-8-4-3-7-13(14)16-12-18/h3-4,7-8H,1-2,5-6,9-10H2",C14H16N2O2S,,,,,,IZBAMDYBRZXAAW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.398,278-560-2,76835-20-6,N-(5-chloro-2-methylphenyl)piperazine,1-(5-chloro-2-methylphenyl)piperazine,Cc1ccc(Cl)cc1N2CCNCC2,Cc1ccc(Cl)cc1N2CCNCC2,"InChI=1/C11H15ClN2/c1-9-2-3-10(12)8-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3",C11H15ClN2,,,,,,FVDJRHNUZNLRJC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.416,278-580-1,76939-66-7,"2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate","3-(heptanoyloxy)-2-({3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propoxy}methyl)-2-[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)",CCCCCCC(=O)OCC(COCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC,CCCCCCC(=O)OCC(COCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC,"InChI=1/C52H94O13/c1-7-13-19-25-31-45(53)60-39-51(40-61-46(54)32-26-20-14-8-2,41-62-47(55)33-27-21-15-9-3)37-59-38-52(42-63-48(56)34-28-22-16-10-4,43-64-49(57)35-29-23-17-11-5)44-65-50(58)36-30-24-18-12-6/h7-44H2,1-6H3",C52H94O13,,,,,,QGIFGDDZGUSRAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.756,277-855-3,74406-12-5,"Ethyl 1-(ethoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate hydrochloride","ethyl 1-(2-ethoxy-2-oxoethyl)-2,3,4,9-tetrahydro-1H-beta-carboline-1-carboxylate hydrochloride",Cl.CCOC(=O)CC1(NCCc2c1[nH]c3ccccc23)C(=O)OCC,Cl.CCOC(=O)CC1(NCCc2c1[nH]c3ccccc23)C(=O)OCC,"InChI=1/C18H22N2O4.ClH/c1-3-23-15(21)11-18(17(22)24-4-2)16-13(9-10-19-18)12-7-5-6-8-14(12)20-16;/h5-8,19-20H,3-4,9-11H2,1-2H3;1H",C18H22N2O4.ClH,,,,,,IRKNPZFPKSMGJO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.763,277-863-7,74413-53-9,"4-[(2-aminophenyl)methyl]-2,6-diethylaniline","4-(2-aminobenzyl)-2,6-diethylaniline",CCc1cc(Cc2ccccc2N)cc(CC)c1N,CCc1cc(Cc2ccccc2N)cc(CC)c1N,"InChI=1/C17H22N2/c1-3-13-9-12(10-14(4-2)17(13)19)11-15-7-5-6-8-16(15)18/h5-10H,3-4,11,18-19H2,1-2H3",C17H22N2,,,,,,CBPLYPLUCJVOSE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.765,277-865-8,74426-36-1,N-(2-aminoethyl)-D-gluconamide,"N-(2-aminoethyl)-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C8H18N2O6/c9-1-2-10-8(16)7(15)6(14)5(13)4(12)3-11/h4-7,11-15H,1-3,9H2,(H,10,16)",C8H18N2O6,,,,,,OTKYKZFJTYEDBX-MVIOUDGNSA-N,,,,,,,,,,,
100.070.780,277-882-0,74467-62-2,2-(4-methoxyphenyl)-2-piperidinoacetamide,2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide,COc1ccc(cc1)C(N2CCCCC2)C(=O)N,COc1ccc(cc1)C(N2CCCCC2)C(=O)N,"InChI=1/C14H20N2O2/c1-18-12-7-5-11(6-8-12)13(14(15)17)16-9-3-2-4-10-16/h5-8,13H,2-4,9-10H2,1H3,(H2,15,17)",C14H20N2O2,,,,,,SEOIQQZRZTXYIL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.784,277-886-2,74496-09-6,Sodium 5-nitroanthranilate,sodium 2-amino-5-nitrobenzoate,[Na+].Nc1ccc(cc1C(=O)[O-])[N+](=O)[O-],[Na+].Nc1ccc(cc1C(=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O4.Na/c8-6-2-1-4(9(12)13)3-5(6)7(10)11;/h1-3H,8H2,(H,10,11);/q;+1/p-1",C7H6N2O4.Na,,,,,,APDQERPTRWONCE-UHFFFAOYSA-M,,,,,,,,,,,
100.070.787,277-889-9,74499-08-4,"4-(5-hydroxydibenzo[a,d]cyclohepten-5-yl)-4-methylpiperidinium chloride","4-(5-hydroxy-5H-dibenzo[a,d][7]annulen-5-yl)-4-methylpiperidinium chloride",[Cl-].CC1(CC[NH2+]CC1)C2(O)c3ccccc3C=Cc4ccccc24,[Cl-].CC1(CC[NH2+]CC1)C2(O)c3ccccc3C=Cc4ccccc24,"InChI=1/C21H23NO.ClH/c1-20(12-14-22-15-13-20)21(23)18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)21;/h2-11,22-23H,12-15H2,1H3;1H",C21H23NO.ClH,,,,,,QSWGRNJKYSFQJS-UHFFFAOYSA-N,,,,,,,,,,,
100.050.830,255-932-2,42769-38-0,"1,1,3,4-tetrachlorobuta-1,3-diene","1,1,3,4-tetrachlorobuta-1,3-diene",Cl\\C(Cl)=C/C(Cl)=CCl,Cl\C(Cl)=C/C(Cl)=CCl,InChI=1/C4H2Cl4/c5-2-3(6)1-4(7)8/h1-2H,C4H2Cl4,,,,,,XTSDMNIRVUOODR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.832,255-934-3,42771-78-8,"1-(2-amino[1,1'-biphenyl]-4-yl)ethan-1-one",1-(2-aminobiphenyl-4-yl)ethanone,CC(=O)c1ccc(c(N)c1)c2ccccc2,CC(=O)c1ccc(c(N)c1)c2ccccc2,"InChI=1/C14H13NO/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h2-9H,15H2,1H3",C14H13NO,,,,,,RFHQDKCYTRLWBB-UHFFFAOYSA-N,,,,,,,,,,,
100.050.834,255-936-4,42772-51-0,"N-(1,1-dimethyl-3-oxobutyl)-N-(hydroxymethyl)acrylamide","N-(1,1-dimethyl-3-oxobutyl)-N-(hydroxymethyl)acrylamide",CC(=O)CC(C)(C)N(CO)C(=O)C=C,CC(=O)CC(C)(C)N(CO)C(=O)C=C,"InChI=1/C10H17NO3/c1-5-9(14)11(7-12)10(3,4)6-8(2)13/h5,12H,1,6-7H2,2-4H3",C10H17NO3,,,,,,WNUPGDZWJCHVAF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.838,255-941-1,42783-21-1,"3,10-bis[(4-amino-3-sulphophenyl)amino]-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid","3,10-bis[(4-amino-3-sulfophenyl)amino]-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",Nc1ccc(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7ccc(N)c(c7)S(=O)(=O)O)c6S(=O)(=O)O)N=C5C(=C4Oc3c2S(=O)(=O)O)Cl)Cl)cc1S(=O)(=O)O,Nc1ccc(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7ccc(N)c(c7)S(=O)(=O)O)c6S(=O)(=O)O)N=C5C(=C4Oc3c2S(=O)(=O)O)Cl)Cl)cc1S(=O)(=O)O,"InChI=1/C30H20Cl2N6O14S4/c31-21-24-28(52-26-16(38-24)6-8-18(30(26)56(48,49)50)36-12-2-4-14(34)20(10-12)54(42,43)44)22(32)23-27(21)51-25-15(37-23)5-7-17(29(25)55(45,46)47)35-11-1-3-13(33)19(9-11)53(39,40)41/h1-10,35-36H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)",C30H20Cl2N6O14S4,,,,,,LKJYEFYOHSCHFC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.840,255-943-2,42785-23-9,"7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-pyrido[3,2-b]-1,4-diazepin-2-one 4-oxide","7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-pyrido[3,2-e][1,4]diazepin-2-one 4-oxide",Clc1ccc2NC(=O)CN(=O)=C(c3ccccc3Cl)c2n1,Clc1ccc2NC(=O)CN(=O)=C(c3ccccc3Cl)c2n1,"InChI=1/C14H9Cl2N3O2/c15-9-4-2-1-3-8(9)14-13-10(5-6-11(16)18-13)17-12(20)7-19(14)21/h1-6H,7H2,(H,17,20)",C14H9Cl2N3O2,,,,,,DZJDHHDBXNBCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.846,255-950-0,42808-36-6,Sodium butyl 9(or 10)-(sulphonatooxy)octadecanoate,sodium 1-(8-butoxy-8-oxooctyl)decyl sulfate,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)[O-],[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)[O-],"InChI=1/C22H44O6S.Na/c1-3-5-7-8-9-11-14-17-21(28-29(24,25)26)18-15-12-10-13-16-19-22(23)27-20-6-4-2;/h21H,3-20H2,1-2H3,(H,24,25,26);/q;+1/p-1",C22H44O6S.Na,,,,,,RNLRJGXXUNHQLP-UHFFFAOYSA-M,,,,,,,,,,,
100.050.850,255-954-2,42822-94-6,"4-(3,7-dimethylocta-1,6-dien-1-yl)morpholine","4-(3,7-dimethylocta-1,6-dien-1-yl)morpholine",C/C(C)=C\\CCC(C)C=CN1CCOCC1,C/C(C)=C\CCC(C)C=CN1CCOCC1,"InChI=1/C14H25NO/c1-13(2)5-4-6-14(3)7-8-15-9-11-16-12-10-15/h5,7-8,14H,4,6,9-12H2,1-3H3",C14H25NO,,,,,,XURVSFNNJNOMQW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.510,277-584-0,73755-70-1,2-[[4-[(2-cyano-3-nitrophenyl)azo]-2-chlorophenyl](2-acetoxyethyl)amino]ethyl acetate,"({2-chloro-4-[(2-cyano-3-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",Clc1cc(ccc1N(CCOC(C)=O)CCOC(C)=O)N=Nc2cccc([N+]([O-])=O)c2C#N,Clc1cc(ccc1N(CCOC(C)=O)CCOC(C)=O)N=Nc2cccc([N+]([O-])=O)c2C#N,"InChI=1/C21H20ClN5O6/c1-14(28)32-10-8-26(9-11-33-15(2)29)21-7-6-16(12-18(21)22)24-25-19-4-3-5-20(27(30)31)17(19)13-23/h3-7,12H,8-11H2,1-2H3",C21H20ClN5O6,,,,,,ZREHDGMXRYSCBE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.515,277-589-8,73761-81-6,2-icosyltetracosanol,2-icosyltetracosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCCCCCCCC,"InChI=1/C44H90O/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44(43-45)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h44-45H,3-43H2,1-2H3",C44H90O,,,,,,JSIOIMBOKALMPC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.518,277-592-4,73772-32-4,Sodium 3-[[3-(dimethylamino)propyl][(tridecafluorohexyl)sulphonyl]amino]-2-hydroxypropanesulphonate,sodium 3-{[3-(dimethylamino)propyl][(tridecafluorohexyl)sulfonyl]amino}-2-hydroxypropane-1-sulfonate,[Na+].CN(C)CCCN(CC(O)CS(=O)(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].CN(C)CCCN(CC(O)CS(=O)(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H19F13N2O6S2.Na/c1-28(2)4-3-5-29(6-8(30)7-36(31,32)33)37(34,35)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25;/h8,30H,3-7H2,1-2H3,(H,31,32,33);/q;+1/p-1",C14H19F13N2O6S2.Na,,,,,,NPPLFZIZNHHMEY-UHFFFAOYSA-M,,,,,,,,,,,
100.070.526,277-601-1,73772-47-1,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]dodecanamide,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)dodecanamide,CCCCCCCCCCCC(=O)NCCNCCNCCNCCN,CCCCCCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1/C20H45N5O/c1-2-3-4-5-6-7-8-9-10-11-20(26)25-19-18-24-17-16-23-15-14-22-13-12-21/h22-24H,2-19,21H2,1H3,(H,25,26)",C20H45N5O,,,,,,BYPXXACLPKXOFX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.540,277-616-3,73816-74-7,"Trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(CC)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(CC)c5ccccc5,"InChI=1/C28H24ClN7O10S3.3Na/c1-3-36(17-7-5-4-6-8-17)28-32-26(29)31-27(33-28)30-20-14-18(47(38,39)40)12-16-13-22(49(44,45)46)24(25(37)23(16)20)35-34-19-10-9-15(2)11-21(19)48(41,42)43;;;/h4-14,37H,3H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3",C28H24ClN7O10S3.3Na,,,,,,KAAYWWJCOOCCSJ-UHFFFAOYSA-K,,,,,,,,,,,
100.063.200,269-540-4,68298-11-3,[3-[[(heptadecafluorooctyl)sulphonyl](3-sulphopropyl)amino]propyl](2-hydroxyethyl)dimethylammonium hydroxide,"3-{[(heptadecafluorooctyl)sulfonyl](3-sulfopropyl)amino}-N-(2-hydroxyethyl)-N,N-dimethylpropan-1-aminium hydroxide",[OH-].C[N+](C)(CCO)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[OH-].C[N+](C)(CCO)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C18H23F17N2O6S2.H2O/c1-37(2,8-9-38)7-3-5-36(6-4-10-44(39,40)41)45(42,43)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33;/h38H,3-10H2,1-2H3;1H2",C18H23F17N2O6S2,,,,,,KKAAYRBTCOQPPV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.203,269-544-6,68298-18-0,Disodium N-[2-(carboxylatomethoxy)ethyl]-N-[2-[(1-oxooctyl)amino]ethyl]glycinate,disodium {[2-(carboxylatomethoxy)ethyl][2-(octanoylamino)ethyl]amino}acetate,[Na+].[Na+].CCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-],"InChI=1/C16H30N2O6.2Na/c1-2-3-4-5-6-7-14(19)17-8-9-18(12-15(20)21)10-11-24-13-16(22)23;;/h2-13H2,1H3,(H,17,19)(H,20,21)(H,22,23);;/q;2*+1/p-2",C16H30N2O6.2Na,,,,,,WSJWDSLADWXTMK-UHFFFAOYSA-L,,,,,,,,,,,
100.063.214,269-556-1,68298-33-9,"1,6,7,8-tetrahydro-1,4,6,6,8,8-hexamethyl-as-indacen-3(2H)-one","1,4,6,6,8,8-hexamethyl-1,6,7,8-tetrahydro-as-indacen-3(2H)-one",CC1CC(=O)c2c(C)cc3c(c12)C(C)(C)CC3(C)C,CC1CC(=O)c2c(C)cc3c(c12)C(C)(C)CC3(C)C,"InChI=1/C18H24O/c1-10-7-12-16(18(5,6)9-17(12,3)4)15-11(2)8-13(19)14(10)15/h7,11H,8-9H2,1-6H3",C18H24O,,,,,,BISFKEVJRXXYRM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.787,283-393-3,84608-82-2,2-hydroxy-3-(oleoyloxy)propyl 5-oxo-L-prolinate,2-hydroxy-3-(oleoyloxy)propyl 5-oxo-L-prolinate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)COC(=O)[C@@H]1CCC(=O)N1,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C26H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)32-20-22(28)21-33-26(31)23-18-19-24(29)27-23/h9-10,22-23,28H,2-8,11-21H2,1H3,(H,27,29)",C26H45NO6,,,,,,XHJMSYVAXZRKDC-VTWISFAYSA-N,,,,,,,,,,,
100.075.788,283-394-9,84613-57-0,4-chloro-4'-methoxy-2-nitroazobenzene,1-(4-chloro-2-nitrophenyl)-2-(4-methoxyphenyl)diazene,COc1ccc(cc1)N=Nc2ccc(Cl)cc2[N+](=O)[O-],COc1ccc(cc1)N=Nc2ccc(Cl)cc2[N+](=O)[O-],"InChI=1/C13H10ClN3O3/c1-20-11-5-3-10(4-6-11)15-16-12-7-2-9(14)8-13(12)17(18)19/h2-8H,1H3",C13H10ClN3O3,,,,,,YVBBYHMLWXNHCI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.789,283-395-4,84613-97-8,"1,2-dichloro-3-(trichloromethyl)benzene","1,2-dichloro-3-(trichloromethyl)benzene",Clc1cccc(c1Cl)C(Cl)(Cl)Cl,Clc1cccc(c1Cl)C(Cl)(Cl)Cl,"InChI=1/C7H3Cl5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H",C7H3Cl5,,,,,,GKGPLSQWIBJJPC-UHFFFAOYSA-N,,,,,,,,,,,
100.076.147,283-792-2,84713-01-9,"[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonic acid","{[(3,5,5-trimethylhexyl)imino]bis(methylene)}bis(phosphonic acid)",CC(CCN(CP(=O)(O)O)CP(=O)(O)O)CC(C)(C)C,CC(CCN(CP(=O)(O)O)CP(=O)(O)O)CC(C)(C)C,"InChI=1/C11H27NO6P2/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18)",C11H27NO6P2,,,,,,MVVXUEVCZPXMKR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.155,283-802-5,84713-09-7,Disodium naphthalenedisulphonate,"disodium naphthalene-1,2-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2Na/c11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",C10H8O6S2.2Na,,,,,,PTEWEFISOFMTTD-UHFFFAOYSA-L,,,,,,,,,,,
100.076.164,283-811-4,84713-18-8,Barium glycerol phosphate,barium 2-hydroxy-1-(hydroxymethyl)ethyl phosphate,[Ba+2].OCC(CO)OP(=O)([O-])[O-],[Ba+2].OCC(CO)OP(=O)([O-])[O-],"InChI=1/C3H9O6P.Ba/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.Ba,,,,,,FDXKBRUSZRJMIX-UHFFFAOYSA-L,,,,,,,,,,,
100.076.165,283-813-5,84714-19-2,Methyl 2-cyano-2-(cyclohex-1-enyl)butyrate,methyl 2-cyano-2-cyclohex-1-en-1-ylbutanoate,CCC(C#N)(C(=O)OC)C1=CCCCC1,CCC(C#N)(C(=O)OC)C1=CCCCC1,"InChI=1/C12H17NO2/c1-3-12(9-13,11(14)15-2)10-7-5-4-6-8-10/h7H,3-6,8H2,1-2H3",C12H17NO2,,,,,,KGBFLLOSBDSYPN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.994,251-709-9,33872-80-9,Chloro-o-tolylmagnesium,chloro(2-methylphenyl)magnesium,Cc1ccccc1[Mg]Cl,Cc1ccccc1[Mg]Cl,"InChI=1/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1/rC7H7ClMg/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3",C7H7ClMg,,,,,,DSJSQDNPAOUFOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.995,251-710-4,33877-05-3,Ethyl o-methoxycinnamate,ethyl 3-(2-methoxyphenyl)acrylate,CCOC(=O)\\C=C\\c1ccccc1OC,CCOC(=O)\C=C\c1ccccc1OC,"InChI=1/C12H14O3/c1-3-15-12(13)9-8-10-6-4-5-7-11(10)14-2/h4-9H,3H2,1-2H3",C12H14O3,,,,,,ATAFSLBAINHGTN-CMDGGOBGSA-N,,,,,,,,,,,
100.046.998,251-714-6,33881-78-6,"Diisooctyl 3,3'-dithiobispropionate","bis(6-methylheptyl) 3,3'-disulfanediyldipropanoate",CC(C)CCCCCOC(=O)CCSSCCC(=O)OCCCCCC(C)C,CC(C)CCCCCOC(=O)CCSSCCC(=O)OCCCCCC(C)C,"InChI=1/C22H42O4S2/c1-19(2)11-7-5-9-15-25-21(23)13-17-27-28-18-14-22(24)26-16-10-6-8-12-20(3)4/h19-20H,5-18H2,1-4H3",C22H42O4S2,,,,,,LIZUJZXUWGTFLF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.125,251-854-8,34160-17-3,N-methyl-N-phenylnaphthalen-1-amine,N-methyl-N-phenylnaphthalen-1-amine,CN(c1ccccc1)c2cccc3ccccc23,CN(c1ccccc1)c2cccc3ccccc23,"InChI=1/C17H15N/c1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13H,1H3",C17H15N,,,,,,KKJDTCBLJTWINH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.131,251-861-6,34169-62-5,"Potassium 1,4-dihydro-1,4-dioxonaphthalene-2-sulphonate","potassium 1,4-dioxo-1,4-dihydronaphthalene-2-sulfonate",[K+].[O-]S(=O)(=O)C1=CC(=O)c2ccccc2C1=O,[K+].[O-]S(=O)(=O)C1=CC(=O)c2ccccc2C1=O,"InChI=1/C10H6O5S.K/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;/h1-5H,(H,13,14,15);/q;+1/p-1",C10H6O5S.K,,,,,,WZEGLRXCWYMIDO-UHFFFAOYSA-M,,,,,,,,,,,
100.047.138,251-868-4,34184-82-2,"17-hydroxypregna-4,9(11)-diene-3,20-dione","17-hydroxypregna-4,9(11)-diene-3,20-dione",CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,"InChI=1/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h7,12,16,18,24H,4-6,8-11H2,1-3H3",C21H28O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11741,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.138,ARJWMUSCDIJFLB-GVVDHYSOSA-N,,,,,,,,,,,
100.047.143,251-874-7,34200-53-8,"2-[[4-(diethylamino)phenyl]methylene]-1H-indene-1,3(2H)-dione","2-[4-(diethylamino)benzylidene]-1H-indene-1,3(2H)-dione",CCN(CC)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1,CCN(CC)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1,"InChI=1/C20H19NO2/c1-3-21(4-2)15-11-9-14(10-12-15)13-18-19(22)16-7-5-6-8-17(16)20(18)23/h5-13H,3-4H2,1-2H3",C20H19NO2,,,,,,QSKPRAZBWICXDM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.146,251-877-3,34202-37-4,"N,N-bis(2-hydroxyethyl)stearamide, compound with 2,2'-iminodiethanol (1:1)","N,N-bis(2-hydroxyethyl)octadecanamide - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO.OCCNCCO,CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO.OCCNCCO,"InChI=1/C22H45NO3.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;6-3-1-5-2-4-7/h24-25H,2-21H2,1H3;5-7H,1-4H2",C22H45NO3.C4H11NO2,,,,,,MCXHMBVPPWKFFV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.148,251-879-4,34205-21-5,"3-[4-[5-(tert-butyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]-3-chlorophenyl]-1,1-dimethylurea","3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-3-chlorophenyl]-1,1-dimethylurea",CN(C)C(=O)Nc1ccc(N2N=C(OC2=O)C(C)(C)C)c(Cl)c1,CN(C)C(=O)Nc1ccc(N2N=C(OC2=O)C(C)(C)C)c(Cl)c1,"InChI=1/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)",C15H19ClN4O3,,,,,,DHWRNDJOGMTCPB-UHFFFAOYSA-N,Positive/Negative,EQ316601|EQ316602|EQ316603|EQ316604|EQ316605|EQ316606,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,339.1217:72.0441:167.0005|72.0444:167.0006:339.1218|72.0444:167.0006:212.0585|72.0443:167.0006:139.9896|72.0443:139.9896:167.0006|72.0444:139.9897:111.9948,Eawag,EQ316651|EQ316652|EQ316653|EQ316654|EQ316655|EQ316656,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,337.1074:210.044:165.9938|165.9938:164.9861:210.044|164.9861:165.9939:130.0172|164.9861:165.9939:130.0173|164.986:130.0172:165.9939|130.0172:164.9861:165.994,Eawag
100.047.152,251-884-1,34212-83-4,"Glutathione, sodium salt",disodium 2-amino-5-({2-[(carboxylatomethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl}amino)-5-oxopentanoate,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O[Na])C(=O)O[Na],NC(CCC(=O)NC(CS)C(=O)NCC(=O)O[Na])C(=O)O[Na],"InChI=1/C10H17N3O6S.2Na/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;;/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);;/q;2*+1/p-2",C10H17N3O6S.xNa,,,,,,JAOFASXEKQFNPY-UHFFFAOYSA-L,,,,,,,,,,,
100.074.595,282-080-9,84100-00-5,"2-[[3-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-nitrobenzenesulphonic acid","2-({3-[(3-amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)-5-nitrobenzenesulfonic acid",Oc2c(ccc(O)c2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc3ccc(cc3S(O)(=O)=O)[N+]([O-])=O,Oc2c(ccc(O)c2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc3ccc(cc3S(O)(=O)=O)[N+]([O-])=O,"InChI=1/C18H13N7O9S/c19-11-7-9(1-5-14(11)25(30)31)20-23-17-15(26)6-4-13(18(17)27)22-21-12-3-2-10(24(28)29)8-16(12)35(32,33)34/h1-8,26-27H,19H2,(H,32,33,34)",C18H13N7O9S,,,,,,PUQKDJCNWCGSHS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.598,282-084-0,84100-03-8,"Trisodium 4-amino-5-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c3c(cc2S([O-])(=O)=O)cc(cc3O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c3c(cc2S([O-])(=O)=O)cc(cc3O)S([O-])(=O)=O,"InChI=1/C18H17N3O13S4.3Na/c19-17-16-10(7-13(9-14(16)22)36(25,26)27)8-15(37(28,29)30)18(17)21-20-11-1-3-12(4-2-11)35(23,24)6-5-34-38(31,32)33;;;/h1-4,7-9,22H,5-6,19H2,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3",C18H17N3O13S4.3Na,,,,,,SBELSJCGRODFGD-UHFFFAOYSA-K,,,,,,,,,,,
100.074.601,282-087-7,84100-06-1,4-[[2-methoxy-5-methyl-4-[(3-nitrophenyl)azo]phenyl]azo]phenol,4-({2-methoxy-5-methyl-4-[(3-nitrophenyl)diazenyl]phenyl}diazenyl)phenol,COc3cc(N=Nc1cccc(c1)[N+]([O-])=O)c(C)cc3N=Nc2ccc(O)cc2,COc3cc(N=Nc1cccc(c1)[N+]([O-])=O)c(C)cc3N=Nc2ccc(O)cc2,"InChI=1/C20H17N5O4/c1-13-10-19(24-21-14-6-8-17(26)9-7-14)20(29-2)12-18(13)23-22-15-4-3-5-16(11-15)25(27)28/h3-12,26H,1-2H3",C20H17N5O4,,,,,,NPLUVYLGXGYHTE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.603,282-089-8,84100-08-3,N-[5-(diethylamino)-2-[[6-(methylsulphonyl)-2-benzothiazolyl]azo]phenyl]acetamide,"N-[5-(diethylamino)-2-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]diazenyl}phenyl]acetamide",CCN(CC)c3ccc(N=Nc1nc2ccc(cc2s1)S(C)(=O)=O)c(NC(C)=O)c3,CCN(CC)c3ccc(N=Nc1nc2ccc(cc2s1)S(C)(=O)=O)c(NC(C)=O)c3,"InChI=1/C20H23N5O3S2/c1-5-25(6-2)14-7-9-16(18(11-14)21-13(3)26)23-24-20-22-17-10-8-15(30(4,27)28)12-19(17)29-20/h7-12H,5-6H2,1-4H3,(H,21,26)",C20H23N5O3S2,,,,,,WQMTZBFEBBDAAD-UHFFFAOYSA-N,,,,,,,,,,,
100.074.604,282-090-3,84100-09-4,"Bis[2-[[(p-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium] carbonate","bis{2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium} carbonate",[O-]C([O-])=O.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[O-]C([O-])=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/2C20H23N3O.CH2O3/c2*1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;2-1(3)4/h2*5-12,14H,13H2,1-4H3;(H2,2,3,4)",C20H24N3O.1/2CO3,,,,,,FZJDCXGDAFKMJY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.607,282-094-5,84100-12-9,"5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene","5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene",FC(=C(CC=C)C(F)(F)F)C(F)(F)C(F)(F)F,FC(=C(CC=C)C(F)(F)F)C(F)(F)C(F)(F)F,"InChI=1/C8H5F9/c1-2-3-4(7(12,13)14)5(9)6(10,11)8(15,16)17/h2H,1,3H2",C8H5F9,,,,,,OMUNRUKWZBLGRN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.612,282-099-2,84100-17-4,Cyclohexyldihexylphosphine,cyclohexyl(dihexyl)phosphine,CCCCCCP(CCCCCC)C1CCCCC1,CCCCCCP(CCCCCC)C1CCCCC1,"InChI=1/C18H37P/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h18H,3-17H2,1-2H3",C18H37P,,,,,,OTFXOBKITKKHRS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.621,282-109-5,84100-28-7,"2,2-dimethyl-3-[(1-oxoallyl)oxy]propyltrimethylammonium methyl sulphate","3-(acryloyloxy)-N,N,N,2,2-pentamethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].CC(C)(COC(=O)C=C)C[N+](C)(C)C,COS(=O)(=O)[O-].CC(C)(COC(=O)C=C)C[N+](C)(C)C,"InChI=1/C11H22NO2.CH4O4S/c1-7-10(13)14-9-11(2,3)8-12(4,5)6;1-5-6(2,3)4/h7H,1,8-9H2,2-6H3;1H3,(H,2,3,4)/q+1;/p-1",C11H22NO2.CH3O4S,,,,,,GDNYTRIDABFTCM-UHFFFAOYSA-M,,,,,,,,,,,
100.074.622,282-110-0,84100-29-8,"2,2-dimethyl-3-[(1-oxoallyl)oxy]propyltrimethylammonium chloride","3-(acryloyloxy)-N,N,N,2,2-pentamethylpropan-1-aminium chloride",[Cl-].CC(C)(COC(=O)C=C)C[N+](C)(C)C,[Cl-].CC(C)(COC(=O)C=C)C[N+](C)(C)C,"InChI=1/C11H22NO2.ClH/c1-7-10(13)14-9-11(2,3)8-12(4,5)6;/h7H,1,8-9H2,2-6H3;1H/q+1;/p-1",C11H22NO2.Cl,,,,,,KZFGODFMICNOHF-UHFFFAOYSA-M,,,,,,,,,,,
100.077.240,284-994-3,85005-62-5,"1-(diisopropylphenyl)butane-1,3-dione","1-(2,3-diisopropylphenyl)butane-1,3-dione",CC(C)c1c(cccc1C(C)C)C(=O)CC(C)=O,CC(C)c1c(cccc1C(C)C)C(=O)CC(C)=O,"InChI=1/C16H22O2/c1-10(2)13-7-6-8-14(16(13)11(3)4)15(18)9-12(5)17/h6-8,10-11H,9H2,1-5H3",C16H22O2,,,,,,MAIKJEHQRKKPLL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.245,285-000-0,85005-67-0,"Bis(2-methylpropyl) 2,2'-[methylenebis(thio)]bisacetate","diisobutyl 2,2'-(methylenedisulfanediyl)diacetate",CC(C)COC(=O)CSCSCC(=O)OCC(C)C,CC(C)COC(=O)CSCSCC(=O)OCC(C)C,"InChI=1/C13H24O4S2/c1-10(2)5-16-12(14)7-18-9-19-8-13(15)17-6-11(3)4/h10-11H,5-9H2,1-4H3",C13H24O4S2,,,,,,JTRYLXWWGAXJJN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.249,285-004-2,85005-72-7,"[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium oleate","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35,CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35,"InChI=1/C33H31N3.C18H34O2/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-23H,1-4H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C33H32N3.C18H33O2,,,,,,TUSJGZDTSMYANI-SVMKZPJVSA-N,,,,,,,,,,,
100.050.854,255-958-4,42825-73-0,"2-(2-anilinovinyl)-4,5-dihydro-3-(3-sulphonatopropyl)thiazolium","3-[2-(2-anilinovinyl)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate",[O-]S(=O)(=O)CCC[N+]1=C(SCC1)\\C=C\\Nc2ccccc2,[O-]S(=O)(=O)CCC[N+]1=C(SCC1)\C=C\Nc2ccccc2,"InChI=1/C14H18N2O3S2/c17-21(18,19)12-4-9-16-10-11-20-14(16)7-8-15-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,17,18,19)",C14H18N2O3S2,,,,,,DMMOMOLSKPDLPY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.858,255-963-1,42835-89-2,"6-fluoro-1,2,3,4-tetrahydro-2-methylquinoline","6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline",CC1CCc2cc(F)ccc2N1,CC1CCc2cc(F)ccc2N1,"InChI=1/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3",C10H12FN,,,,,,BDCCXYVTXRUGAN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.861,255-966-8,42846-91-3,5-isobutylbarbituric acid,"5-isobutylpyrimidine-2,4,6(1H,3H,5H)-trione",CC(C)CC1C(=O)NC(=O)NC1=O,CC(C)CC1C(=O)NC(=O)NC1=O,"InChI=1/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4-5H,3H2,1-2H3,(H2,9,10,11,12,13)",C8H12N2O3,,,,,,CZERPPISCPPWRA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.180,283-829-2,84731-70-4,"Bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate","bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate",CCCCC(CC)COC(=O)C1CCC(CC1)C(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)C1CCC(CC1)C(=O)OCC(CC)CCCC,"InChI=1/C24H44O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h19-22H,5-18H2,1-4H3",C24H44O4,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12795,https://echa.europa.eu/substance-information/-/substanceinfo/100.076.180,HOQGHOMLEVKTBY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.185,283-835-5,84731-75-9,"2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)pyridine","2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)pyridine",CC1(C)C2CCC1(C)C(=C2)c3ccccn3,CC1(C)C2CCC1(C)C(=C2)c3ccccn3,"InChI=1/C15H19N/c1-14(2)11-7-8-15(14,3)12(10-11)13-6-4-5-9-16-13/h4-6,9-11H,7-8H2,1-3H3",C15H19N,,,,,,NUKWWIUNFJZQDK-UHFFFAOYSA-N,,,,,,,,,,,
100.076.193,283-843-9,84752-98-7,"Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-4-ol",cedran-10-ol,CC1CC(O)C23CC1C(C)(C)C2CCC3C,CC1CC(O)C23CC1C(C)(C)C2CCC3C,"InChI=1/C15H26O/c1-9-7-13(16)15-8-11(9)14(3,4)12(15)6-5-10(15)2/h9-13,16H,5-8H2,1-4H3",C15H26O,,,,,,SOHGRNINRQNKFM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.205,283-857-5,84753-10-6,Calcium(2+) 3-[(octadecylamino)carbonyl]nonadec-5-enoate,calcium bis[3-(octadecylcarbamoyl)nonadec-5-enoate],[Ca+2].CCCCCCCCCCCCCCCCCCNC(=O)C(CC=CCCCCCCCCCCCCC)CC([O-])=O.CCCCCCCCCCCCCCCCCCNC(=O)C(CC=CCCCCCCCCCCCCC)CC([O-])=O,[Ca+2].CCCCCCCCCCCCCCCCCCNC(=O)C(CC=CCCCCCCCCCCCCC)CC([O-])=O.CCCCCCCCCCCCCCCCCCNC(=O)C(CC=CCCCCCCCCCCCCC)CC([O-])=O,"InChI=1/2C38H73NO3.Ca/c2*1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39-38(42)36(35-37(40)41)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;/h2*29,31,36H,3-28,30,32-35H2,1-2H3,(H,39,42)(H,40,41);/q;;+2/p-2",C38H73NO3.1/2Ca,,,,,,NCOHZYLCJDBBNT-UHFFFAOYSA-L,,,,,,,,,,,
100.076.206,283-858-0,84753-11-7,2-methylhex-2-enyl butyrate,2-methylhex-2-en-1-yl butyrate,CCCC=C(C)COC(=O)CCC,CCCC=C(C)COC(=O)CCC,"InChI=1/C11H20O2/c1-4-6-8-10(3)9-13-11(12)7-5-2/h8H,4-7,9H2,1-3H3",C11H20O2,,,,,,SJKVXBSVDPKUFG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.170,251-903-3,34265-58-2,Ethyl 5-methylsalicylate,ethyl 2-hydroxy-5-methylbenzoate,CCOC(=O)c1cc(C)ccc1O,CCOC(=O)c1cc(C)ccc1O,"InChI=1/C10H12O3/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6,11H,3H2,1-2H3",C10H12O3,,,,,,ZGYXABNSOOACGL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.180,251-914-3,34282-85-4,5-[(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-ethanesulphonic acid,"2-{5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid",S=C2SC(=CC=C1CCCN1CC)C(=O)N2CCS(O)(=O)=O,S=C2SC(=CC=C1CCCN1CC)C(=O)N2CCS(O)(=O)=O,"InChI=1/C13H18N2O4S3/c1-2-14-7-3-4-10(14)5-6-11-12(16)15(13(20)21-11)8-9-22(17,18)19/h5-6H,2-4,7-9H2,1H3,(H,17,18,19)",C13H18N2O4S3,,,,,,GFJGCPCAQBIUMB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.184,251-919-0,34289-60-6,"4,6-dimethyl-1H-pyrimidin-2-one hydrochloride","4,6-dimethylpyrimidin-2(1H)-one hydrochloride",Cl.CC1=CC(=NC(=O)N1)C,Cl.CC1=CC(=NC(=O)N1)C,"InChI=1/C6H8N2O.ClH/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);1H",C6H8N2O.ClH,,,,,,IFXXETYYSLJRNF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.188,251-923-2,34294-53-6,Diphenyl tetradecyl phosphite,diphenyl tetradecyl phosphite,CCCCCCCCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,CCCCCCCCCCCCCCOP(Oc1ccccc1)Oc2ccccc2,"InChI=1/C26H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-27-30(28-25-20-15-13-16-21-25)29-26-22-17-14-18-23-26/h13-18,20-23H,2-12,19,24H2,1H3",C26H39O3P,,,,,,PRFKJUVSYMPQCK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.192,251-927-4,34303-23-6,Cadmium didocosanoate,cadmium didocosanoate,[Cd+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C22H44O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2",C22H44O2.1/2Cd,,,,,,HJGFQVHOOSSOME-UHFFFAOYSA-L,,,,,,,,,,,
100.047.193,251-929-5,34306-22-4,"Butan-2-one O,O'-[(2-methoxyethoxy)methylsilanediyl]dioxime","butan-2-one O,O'-[(2-methoxyethoxy)(methyl)silanediyl]oxime",CCC(=NO[Si](C)(OCCOC)ON=C(C)CC)C,CCC(=NO[Si](C)(OCCOC)ON=C(C)CC)C,"InChI=1/C12H26N2O4Si/c1-7-11(3)13-17-19(6,16-10-9-15-5)18-14-12(4)8-2/h7-10H2,1-6H3",C12H26N2O4Si,,,,,,ROOBXASOVJPAFC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.814,283-424-0,84625-53-6,"2,4,4-trimethylnona-6,8-dien-3-one oxime","2,4,4-trimethylnona-6,8-dien-3-one oxime",C=CC=CCC(C)(C)C(=NO)C(C)C,C=CC=CCC(C)(C)C(=NO)C(C)C,"InChI=1/C12H21NO/c1-6-7-8-9-12(4,5)11(13-14)10(2)3/h6-8,10,14H,1,9H2,2-5H3",C12H21NO,,,,,,JZVFMABEZCKLSU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.816,283-426-1,84625-55-8,"1-methyl-1,2-ethanediyl bis(p-methoxycinnamate)","propane-1,2-diyl bis[3-(4-methoxyphenyl)acrylate]",COc1ccc(\\C=C\\C(=O)OCC(C)OC(=O)\\C=C\\c2ccc(OC)cc2)cc1,COc1ccc(\C=C\C(=O)OCC(C)OC(=O)\C=C\c2ccc(OC)cc2)cc1,"InChI=1/C23H24O6/c1-17(29-23(25)15-9-19-6-12-21(27-3)13-7-19)16-28-22(24)14-8-18-4-10-20(26-2)11-5-18/h4-15,17H,16H2,1-3H3",C23H24O6,,,,,,HKNBZMRXMRPLMG-VOMDNODZSA-N,,,,,,,,,,,
100.075.817,283-427-7,84625-56-9,"1-methyl-9H-pyrido[3,4-b]indol-7-ol hydrobromide",1-methyl-9H-beta-carbolin-7-ol hydrobromide,Br.Cc1nccc2c3ccc(O)cc3[nH]c12,Br.Cc1nccc2c3ccc(O)cc3[nH]c12,"InChI=1/C12H10N2O.BrH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-6,14-15H,1H3;1H",C12H10N2O.BrH,,,,,,CGXMRIXNZNGSBH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.823,283-434-5,84642-57-9,"2-[(3,3,5-trimethylcyclohexyl)acetyl]cyclopentan-1-one","2-[(3,3,5-trimethylcyclohexyl)acetyl]cyclopentanone",CC1CC(CC(=O)C2CCCC2=O)CC(C)(C)C1,CC1CC(CC(=O)C2CCCC2=O)CC(C)(C)C1,"InChI=1/C16H26O2/c1-11-7-12(10-16(2,3)9-11)8-15(18)13-5-4-6-14(13)17/h11-13H,4-10H2,1-3H3",C16H26O2,,,,,,JIJOZOBTAJWEID-UHFFFAOYSA-N,,,,,,,,,,,
100.075.824,283-435-0,84642-58-0,2-ethyl-3-hydroxy-4H-pyran-4-thione,2-ethyl-3-hydroxy-4H-pyran-4-thione,CCC1=C(O)C(=S)C=CO1,CCC1=C(O)C(=S)C=CO1,"InChI=1/C7H8O2S/c1-2-5-7(8)6(10)3-4-9-5/h3-4,8H,2H2,1H3",C7H8O2S,,,,,,AKZKYXGJTDNWLR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.695,284-395-7,84870-65-5,"2-[[4-(diethylamino)-2-methylphenyl]azo]-5-nitrobenzene-1,3-dicarbonitrile",2-{[4-(diethylamino)-2-methylphenyl]diazenyl}-5-nitroisophthalonitrile,CCN(CC)c2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)C#N)c(C)c2,CCN(CC)c2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)C#N)c(C)c2,"InChI=1/C19H18N6O2/c1-4-24(5-2)16-6-7-18(13(3)8-16)22-23-19-14(11-20)9-17(25(26)27)10-15(19)12-21/h6-10H,4-5H2,1-3H3",C19H18N6O2,,,,,,HCOYTIPJLYJCDR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.696,284-396-2,84873-35-8,"1-amino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenoxy]-4-hydroxyanthraquinone","1-amino-2-(4-{[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy}phenoxy)-4-hydroxy-9,10-anthraquinone",CCCCN(CCCC)c1nc(F)nc(Oc2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2)n1,CCCCN(CCCC)c1nc(F)nc(Oc2ccc(Oc3cc(O)c4C(=O)c5ccccc5C(=O)c4c3N)cc2)n1,"InChI=1/C31H30FN5O5/c1-3-5-15-37(16-6-4-2)30-34-29(32)35-31(36-30)42-19-13-11-18(12-14-19)41-23-17-22(38)24-25(26(23)33)28(40)21-10-8-7-9-20(21)27(24)39/h7-14,17,38H,3-6,15-16,33H2,1-2H3",C31H30FN5O5,,,,,,BKRYGJMSCCNFDE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.703,284-403-9,84878-14-8,"Galactaric acid, zinc salt","zinc 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Zn+2].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],[Zn+2].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],"InChI=1/C6H10O8.Zn/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2",C6H10O8.xZn,,,,,,UDUXSCSSSYZNKO-UEXKISHTSA-L,,,,,,,,,,,
100.076.733,284-436-9,84878-44-4,[[(6-aminohexyl)amino]methyl]phenol,2-{[(6-aminohexyl)amino]methyl}phenol,NCCCCCCNCc1ccccc1O,NCCCCCCNCc1ccccc1O,"InChI=1/C13H22N2O/c14-9-5-1-2-6-10-15-11-12-7-3-4-8-13(12)16/h3-4,7-8,15-16H,1-2,5-6,9-11,14H2",C13H22N2O,,,,,,NZCBLUIHFQLYIG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.737,284-441-6,84878-48-8,Cadmium bis(nonylphenolate),cadmium bis(2-nonylphenolate),[Cd+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],[Cd+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],"InChI=1/2C15H24O.Cd/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2",C15H24O.1/2Cd,,,,,,VBAVXGAIISNHIY-UHFFFAOYSA-L,,,,,,,,,,,
100.070.548,277-625-2,73862-12-1,2-[[4-[bis[2-(1-oxopropoxy)ethyl]amino]-2-chlorophenyl]azo]-5-nitrobenzonitrile,"({3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl dipropanoate",Clc2cc(ccc2N=Nc1ccc(cc1C#N)[N+]([O-])=O)N(CCOC(=O)CC)CCOC(=O)CC,Clc2cc(ccc2N=Nc1ccc(cc1C#N)[N+]([O-])=O)N(CCOC(=O)CC)CCOC(=O)CC,"InChI=1/C23H24ClN5O6/c1-3-22(30)34-11-9-28(10-12-35-23(31)4-2)17-5-8-21(19(24)14-17)27-26-20-7-6-18(29(32)33)13-16(20)15-25/h5-8,13-14H,3-4,9-12H2,1-2H3",C23H24ClN5O6,,,,,,WJYMHQGRBUEXPP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.561,277-639-9,73928-40-2,"1,1,2,2,3,3,4,4,5,5-decafluoro-1-[(trifluorovinyl)oxy]pentane","1,1,2,2,3,3,4,4,5,5-decafluoro-1-[(trifluorovinyl)oxy]pentane",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(=C(F)F)F,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(=C(F)F)F,"InChI=1/C7HF13O/c8-1(9)2(10)21-7(19,20)6(17,18)5(15,16)4(13,14)3(11)12/h3H",C7HF13O,,,,,,IBBCNYCWBLECNN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.563,277-642-5,73931-96-1,Denzimol,2-(1H-imidazol-1-yl)-1-[4-(2-phenylethyl)phenyl]ethanol,OC(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,OC(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,"InChI=1/C19H20N2O/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,15,19,22H,6-7,14H2",C19H20N2O,,,,,,IAWIJHCUEPVIOO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.155,251-887-8,34217-90-8,"(2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid","(2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid",CC[C@@H]1[C@@H](C)C(=O)N[C@H]1Cc2[nH]c(\\C=C\\3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C,CC[C@@H]1[C@@H](C)C(=O)N[C@H]1Cc2[nH]c(\C=C\3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C,"InChI=1/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)",C33H46N4O6,,,,,,DEEUSUJLZQQESV-BQUSTMGCSA-N,,,,,,,,,,,
100.070.748,277-846-4,74398-43-9,"ß,4-dihydroxyphenethylammonium hydrogen tartrate",2-hydroxy-2-(4-hydroxyphenyl)ethanaminium hydrogen tartarate,[NH3+]CC(O)c1ccc(O)cc1.OC(C(O)C(=O)[O-])C(=O)[O-],[NH3+]CC(O)c1ccc(O)cc1.OC(C(O)C(=O)[O-])C(=O)[O-],"InChI=1/C8H11NO2.C4H6O6/c9-5-8(11)6-1-3-7(10)4-2-6;5-1(3(7)8)2(6)4(9)10/h1-4,8,10-11H,5,9H2;1-2,5-6H,(H,7,8)(H,9,10)/p-1",C8H11NO2.1/2C4H6O6,,,,,,SEYAYFMQVRHSQR-UHFFFAOYSA-M,,,,,,,,,,,
100.070.758,277-857-4,74407-70-8,(R)-3-(benzoylthio)-2-methylpropionic acid,3-(benzoylsulfanyl)-2-methylpropanoic acid,C[C@@H](CSC(=O)c1ccccc1)C(=O)O,C[C@@H](CSC(=O)c1ccccc1)C(=O)O,"InChI=1/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)",C11H12O3S,,,,,,BCAYPPFBOJCRPN-QMMMGPOBSA-N,,,,,,,,,,,
100.070.760,277-860-0,74411-09-9,Methylcyclohexyl laurate,1-methylcyclohexyl laurate,CCCCCCCCCCCC(=O)OC1(C)CCCCC1,CCCCCCCCCCCC(=O)OC1(C)CCCCC1,"InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-12-15-18(20)21-19(2)16-13-11-14-17-19/h3-17H2,1-2H3",C19H36O2,,,,,,CCXBUGPDDXSTNI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.770,277-871-0,74432-28-3,"Trisodium 8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonate","trisodium 8-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)[O-])c4C(=O)c5c(cccc5S(=O)(=O)[O-])C(=O)c4c1,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)[O-])c4C(=O)c5c(cccc5S(=O)(=O)[O-])C(=O)c4c1,"InChI=1/C23H13Cl2N5O11S3.3Na/c24-21-28-22(25)30-23(29-21)27-13-5-4-9(6-16(13)44(39,40)41)26-14-8-10(42(33,34)35)7-12-17(14)20(32)18-11(19(12)31)2-1-3-15(18)43(36,37)38;;;/h1-8,26H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,27,28,29,30);;;/q;3*+1/p-3",C23H13Cl2N5O11S3.3Na,,,,,,WOYASNNQOPVZIL-UHFFFAOYSA-K,,,,,,,,,,,
100.070.773,277-874-7,74441-06-8,4-amino-N-[4-(aminocarbonyl)phenyl]benzamide,4-amino-N-(4-carbamoylphenyl)benzamide,NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1,NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1,"InChI=1/C14H13N3O2/c15-11-5-1-10(2-6-11)14(19)17-12-7-3-9(4-8-12)13(16)18/h1-8H,15H2,(H2,16,18)(H,17,19)",C14H13N3O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11122,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.773,FSPYMSUDIVFOHY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.775,277-876-8,74447-68-0,"3-amino-7-(dimethylamino)-2,8-dimethylphenoxazin-5-ium chloride","3-amino-7-(dimethylamino)-2,8-dimethylphenoxazin-5-ium chloride",[Cl-].CN(C)c1cc2[o+]c3cc(N)c(C)cc3nc2cc1C,[Cl-].CN(C)c1cc2[o+]c3cc(N)c(C)cc3nc2cc1C,"InChI=1/C16H18N3O.ClH/c1-9-5-12-15(7-11(9)17)20-16-8-14(19(3)4)10(2)6-13(16)18-12;/h5-8H,17H2,1-4H3;1H/q+1;/p-1",C16H18N3O.Cl,,,,,,CBBFYKNFPUKZGM-UHFFFAOYSA-M,,,,,,,,,,,
100.070.781,277-883-6,74467-63-3,2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetamide,2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetamide,COc1ccc(cc1)C(N2CCCC2)C(=O)N,COc1ccc(cc1)C(N2CCCC2)C(=O)N,"InChI=1/C13H18N2O2/c1-17-11-6-4-10(5-7-11)12(13(14)16)15-8-2-3-9-15/h4-7,12H,2-3,8-9H2,1H3,(H2,14,16)",C13H18N2O2,,,,,,QBDZSPPNNATJJA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.788,277-890-4,74499-12-0,Potassium 3-hydroxy-4-methoxybenzenesulphonate,potassium 3-hydroxy-4-methoxybenzenesulfonate,[K+].COc1ccc(cc1O)S(=O)(=O)[O-],[K+].COc1ccc(cc1O)S(=O)(=O)[O-],"InChI=1/C7H8O5S.K/c1-12-7-3-2-5(4-6(7)8)13(9,10)11;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1",C7H8O5S.K,,,,,,QEAJOOURKCKFSV-UHFFFAOYSA-M,,,,,,,,,,,
100.050.821,255-922-8,42728-79-0,"D-gluconic acid, compound with 2,2',2''-nitrilotrisethanol (1:1)","2,2',2''-nitrilotriethanol - D-gluconic acid (1:1)",OCCN(CCO)CCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,OCCN(CCO)CCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C6H15NO3.C6H12O7/c8-4-1-7(2-5-9)3-6-10;7-1-2(8)3(9)4(10)5(11)6(12)13/h8-10H,1-6H2;2-5,7-11H,1H2,(H,12,13)",C6H15NO3.C6H12O7,,,,,,GWEBWJIKMNJFHE-IFWQJVLJSA-N,,,,,,,,,,,
100.050.825,255-927-5,42753-71-9,5-bromo-6-methylpyridin-2-amine,5-bromo-6-methylpyridin-2-amine,Cc1nc(N)ccc1Br,Cc1nc(N)ccc1Br,"InChI=1/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)",C6H7BrN2,,,,,,SEOZHXRTVJPQPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.827,255-929-6,42757-55-1,"Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl] sulphone","1,1'-sulfonylbis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]",BrCC(Br)COc1c(Br)cc(cc1Br)S(=O)(=O)c2cc(Br)c(OCC(Br)CBr)c(Br)c2,BrCC(Br)COc1c(Br)cc(cc1Br)S(=O)(=O)c2cc(Br)c(OCC(Br)CBr)c(Br)c2,"InChI=1/C18H14Br8O4S/c19-5-9(21)7-29-17-13(23)1-11(2-14(17)24)31(27,28)12-3-15(25)18(16(26)4-12)30-8-10(22)6-20/h1-4,9-10H,5-8H2",C18H14Br8O4S,,,,,,CWZVMVIHYSYLSI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.420,278-584-3,76989-89-4,"Cyanourea, monosodium salt",1-cyanourea,NC(=O)NC#N,NC(=O)NC#N,"InChI=1/C2H3N3O/c3-1-5-2(4)6/h(H3,4,5,6)",C2H3N3O.Na,,,,,,GIVGDJZVMHYWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.428,278-593-2,77017-20-0,"16a,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate","16,17-dihydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C,CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C,"InChI=1/C23H28O6/c1-13(24)29-12-20(27)23(28)19(26)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h6-8,10,16,18-19,26,28H,4-5,9,11-12H2,1-3H3",C23H28O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5399,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.428,LUROGHOZLOFASD-ZPDKUKPCSA-N,,,,,,,,,,,
100.071.432,278-597-4,77056-22-5,Sodium N-[2-[(2-hydroxyethyl)(1-oxotetradecyl)amino]ethyl]glycinate,sodium ({2-[(2-hydroxyethyl)(tetradecanoyl)amino]ethyl}amino)acetate,[Na+].CCCCCCCCCCCCCC(=O)N(CCO)CCNCC(=O)[O-],[Na+].CCCCCCCCCCCCCC(=O)N(CCO)CCNCC(=O)[O-],"InChI=1/C20H40N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)22(16-17-23)15-14-21-18-20(25)26;/h21,23H,2-18H2,1H3,(H,25,26);/q;+1/p-1",C20H40N2O4.Na,,,,,,RANURSONAAGRAI-UHFFFAOYSA-M,,,,,,,,,,,
100.071.433,278-599-5,77056-23-6,Disodium N-(carboxylatomethyl)-N-[2-[(2-hydroxyethyl)(1-oxotetradecyl)amino]ethyl]glycinate,"disodium 2,2'-({2-[(2-hydroxyethyl)(tetradecanoyl)amino]ethyl}imino)diacetate",[Na+].[Na+].CCCCCCCCCCCCCC(=O)N(CCO)CCN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCC(=O)N(CCO)CCN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C22H42N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)24(16-17-25)15-14-23(18-21(27)28)19-22(29)30;;/h25H,2-19H2,1H3,(H,27,28)(H,29,30);;/q;2*+1/p-2",C22H42N2O6.2Na,,,,,,HDNGRHMQJWWQPL-UHFFFAOYSA-L,,,,,,,,,,,
100.071.438,278-605-6,77084-33-4,Methyl 9-oxo-9H-thioxanthene-1-carboxylate,methyl 9-oxo-9H-thioxanthene-1-carboxylate,COC(=O)c1cccc2Sc3ccccc3C(=O)c12,COC(=O)c1cccc2Sc3ccccc3C(=O)c12,"InChI=1/C15H10O3S/c1-18-15(17)10-6-4-8-12-13(10)14(16)9-5-2-3-7-11(9)19-12/h2-8H,1H3",C15H10O3S,,,,,,MLCOFATYVJHBED-UHFFFAOYSA-N,,,,,,,,,,,
100.071.441,278-608-2,77085-59-7,(E)-5-nonylidenefuran-2(5H)-one,5-nonylidenefuran-2(5H)-one,CCCCCCCC\\C=C/1\\OC(=O)C=C1,CCCCCCCC\C=C/1\OC(=O)C=C1,"InChI=1/C13H20O2/c1-2-3-4-5-6-7-8-9-12-10-11-13(14)15-12/h9-11H,2-8H2,1H3",C13H20O2,,,,,,IJOKSZJPYRAWLL-FMIVXFBMSA-N,,,,,,,,,,,
100.071.448,278-616-6,77092-83-2,"Dibutyl 2,5,8,11-tetraoxadodecanedioate","butyl 10-oxo-3,6,9,11-tetraoxapentadec-1-yl carbonate",CCCCOC(=O)OCCOCCOCCOC(=O)OCCCC,CCCCOC(=O)OCCOCCOCCOC(=O)OCCCC,"InChI=1/C16H30O8/c1-3-5-7-21-15(17)23-13-11-19-9-10-20-12-14-24-16(18)22-8-6-4-2/h3-14H2,1-2H3",C16H30O8,,,,,,PZAPTWKIUWTDQR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.454,278-622-9,77101-52-1,1-tetradecylquinolinium bromide,1-tetradecylquinolinium bromide,[Br-].CCCCCCCCCCCCCC[n+]1cccc2ccccc12,[Br-].CCCCCCCCCCCCCC[n+]1cccc2ccccc12,"InChI=1/C23H36N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-24-21-16-18-22-17-13-14-19-23(22)24;/h13-14,16-19,21H,2-12,15,20H2,1H3;1H/q+1;/p-1",C23H36N.Br,,,,,,GDQXERXKBRZTRU-UHFFFAOYSA-M,,,,,,,,,,,
100.071.456,278-625-5,77117-62-5,"(3a,16a)-eburnamenin-14(15H)-one phosphate","14,15-dihydroeburnamenin-14-one phosphate",CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45.OP(=O)(O)O,CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45.OP(=O)(O)O,"InChI=1/C19H22N2O.H3O4P/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20;1-5(2,3)4/h3-4,6-7,18H,2,5,8-12H2,1H3;(H3,1,2,3,4)",C19H22N2O.xH3O4P,,,,,,RVHMKJRPCKDXCS-VOMIJIAVSA-N,,,,,,,,,,,
100.073.326,280-682-6,83742-29-4,"2,2-dichloro-3-oxobutyryl chloride","2,2-dichloro-3-oxobutanoyl chloride",CC(=O)C(Cl)(Cl)C(=O)Cl,CC(=O)C(Cl)(Cl)C(=O)Cl,"InChI=1/C4H3Cl3O2/c1-2(8)4(6,7)3(5)9/h1H3",C4H3Cl3O2,,,,,,VZAAUKXTLDGLID-UHFFFAOYSA-N,,,,,,,,,,,
100.073.343,280-700-2,83763-16-0,"Ethyl cis-4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-3-hydroxypiperidine-1-carboxylate","ethyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-3-hydroxypiperidine-1-carboxylate",CCOC(=O)N1CC[C@H]([C@@H](O)C1)N2C(=O)Nc3cc(Cl)ccc23,CCOC(=O)N1CC[C@H]([C@@H](O)C1)N2C(=O)Nc3cc(Cl)ccc23,"InChI=1/C15H18ClN3O4/c1-2-23-15(22)18-6-5-12(13(20)8-18)19-11-4-3-9(16)7-10(11)17-14(19)21/h3-4,7,12-13,20H,2,5-6,8H2,1H3,(H,17,21)",C15H18ClN3O4,,,,,,BNSLBTZIWVECNG-OLZOCXBDSA-N,,,,,,,,,,,
100.073.347,280-704-4,83763-21-7,Hexadec-15-enylsuccinic acid,2-hexadec-15-en-1-ylsuccinic acid,OC(=O)CC(CCCCCCCCCCCCCCC=C)C(=O)O,OC(=O)CC(CCCCCCCCCCCCCCC=C)C(=O)O,"InChI=1/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h2,18H,1,3-17H2,(H,21,22)(H,23,24)",C20H36O4,,,,,,YPBBBLDUENISJK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.349,280-707-0,83763-23-9,N-[(4-phenyl-4-piperidinyl)methyl]acetamide,N-[(4-phenylpiperidin-4-yl)methyl]acetamide,CC(=O)NCC1(CCNCC1)c2ccccc2,CC(=O)NCC1(CCNCC1)c2ccccc2,"InChI=1/C14H20N2O/c1-12(17)16-11-14(7-9-15-10-8-14)13-5-3-2-4-6-13/h2-6,15H,7-11H2,1H3,(H,16,17)",C14H20N2O,,,,,,SGMDFWKELXIHQV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.262,278-411-1,76274-44-7,N-[2-[(2-aminoethyl)amino]ethyl]salicylamide,N-{2-[(2-aminoethyl)amino]ethyl}-2-hydroxybenzamide,NCCNCCNC(=O)c1ccccc1O,NCCNCCNC(=O)c1ccccc1O,"InChI=1/C11H17N3O2/c12-5-6-13-7-8-14-11(16)9-3-1-2-4-10(9)15/h1-4,13,15H,5-8,12H2,(H,14,16)",C11H17N3O2,,,,,,NPBHHEOEOZUVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.194,251-930-0,34316-15-9,"1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium","1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium",COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC,COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC,"InChI=1/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1",C21H18NO4,,,,,,LLEJIEBFSOEYIV-UHFFFAOYSA-N,,,,,,,,,,,
100.047.197,251-933-7,34317-08-3,Hexamethylenetetramine citrate,"1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane 2-hydroxypropane-1,2,3-tricarboxylate (salt)",OC(=O)CC(O)(CC(=O)O)C(=O)O.C1N2CN3CN(CN1C3)C2,OC(=O)CC(O)(CC(=O)O)C(=O)O.C1N2CN3CN(CN1C3)C2,"InChI=1/C6H12N4.C6H8O7/c1-7-2-9-4-8(1)5-10(3-7)6-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H12N4.C6H8O7,,,,,,UAMIYHCXAONPMG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.203,251-940-5,34328-46-6,4-chloro-3-(trifluoromethyl)benzaldehyde,4-chloro-3-(trifluoromethyl)benzaldehyde,FC(F)(F)c1cc(C=O)ccc1Cl,FC(F)(F)c1cc(C=O)ccc1Cl,"InChI=1/C8H4ClF3O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H",C8H4ClF3O,,,,,,NIHMMULLFBKTOK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.799,277-902-8,74512-52-0,Lanthanum(3+) acrylate,lanthanum triacrylate,[La+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[La+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/3C3H4O2.La/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3",C3H4O2.1/3La,,,,,,YDRWMJVCBFAGBY-UHFFFAOYSA-K,,,,,,,,,,,
100.070.800,277-903-3,74512-57-5,Praseodymium(3+) acrylate,praseodymium triacrylate,[Pr+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Pr+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/3C3H4O2.Pr/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3",C3H4O2.1/3Pr,,,,,,GJVPQZRXFFHPGI-UHFFFAOYSA-K,,,,,,,,,,,
100.070.803,277-907-5,74525-32-9,Sodium 3-amino-2-hydroxy-5-nitrobenzenesulphonate,sodium 3-amino-2-hydroxy-5-nitrobenzenesulfonate,[Na+].Nc1cc(cc(c1O)S(=O)(=O)[O-])[N+](=O)[O-],[Na+].Nc1cc(cc(c1O)S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C6H6N2O6S.Na/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14;/h1-2,9H,7H2,(H,12,13,14);/q;+1/p-1",C6H6N2O6S.Na,,,,,,YOXRRZORGVMZEE-UHFFFAOYSA-M,,,,,,,,,,,
100.070.813,277-918-5,74543-22-9,"Sodium hydrogen 8-aminonaphthalene-1,6-disulphonate","sodium hydrogen 8-aminonaphthalene-1,6-disulfonate",[Na+].Nc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2",C10H9NO6S2.Na,,,,,,JICISBOQRKBFPF-UHFFFAOYSA-L,,,,,,,,,,,
100.070.821,277-926-9,74570-02-8,"(±)-a-(1,2,3,4,5,6,7,8-octahydro-1-isoquinolyl)-p-cresol","4-(1,2,3,4,5,6,7,8-octahydroisoquinolin-1-ylmethyl)phenol",Oc1ccc(CC2NCCC3=C2CCCC3)cc1,Oc1ccc(CC2NCCC3=C2CCCC3)cc1,"InChI=1/C16H21NO/c18-14-7-5-12(6-8-14)11-16-15-4-2-1-3-13(15)9-10-17-16/h5-8,16-18H,1-4,9-11H2",C16H21NO,,,,,,FLPQWEDKJCCQKB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.826,277-932-1,74586-53-1,3-bromo-5-methylaniline,3-bromo-5-methylaniline,Cc1cc(N)cc(Br)c1,Cc1cc(N)cc(Br)c1,"InChI=1/C7H8BrN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3",C7H8BrN,,,,,,YIZRPAWCIFTHNA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.866,255-972-0,42861-47-2,"2-methoxyethyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-ethyl-ß-alaninate","2-methoxyethyl N-{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}-N-ethyl-beta-alaninate",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC(=O)OCCOC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC(=O)OCCOC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C23H27BrN6O9/c1-5-28(7-6-22(32)39-9-8-37-3)19-12-17(25-14(2)31)18(13-21(19)38-4)26-27-23-16(24)10-15(29(33)34)11-20(23)30(35)36/h10-13H,5-9H2,1-4H3,(H,25,31)",C23H27BrN6O9,,,,,,LOBGJBGIERWYHR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.867,255-973-6,42861-95-0,[2-[2-(chloromethyl)phenyl]ethyl]trimethoxysilane,{2-[2-(chloromethyl)phenyl]ethyl}(trimethoxy)silane,CO[Si](CCc1ccccc1CCl)(OC)OC,CO[Si](CCc1ccccc1CCl)(OC)OC,"InChI=1/C12H19ClO3Si/c1-14-17(15-2,16-3)9-8-11-6-4-5-7-12(11)10-13/h4-7H,8-10H2,1-3H3",C12H19ClO3Si,,,,,,UFTVYYXWUBLQLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.868,255-974-1,42863-81-0,Lopirazepam,"7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-2H-pyrido[3,2-e][1,4]diazepin-2-one",OC1N=C(c2ccccc2Cl)c3nc(Cl)ccc3NC1=O,OC1N=C(c2ccccc2Cl)c3nc(Cl)ccc3NC1=O,"InChI=1/C14H9Cl2N3O2/c15-8-4-2-1-3-7(8)11-12-9(5-6-10(16)18-12)17-13(20)14(21)19-11/h1-6,14,21H,(H,17,20)",C14H9Cl2N3O2,,,,,,JEJOFYTVMFVKQA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.873,255-979-9,42871-17-0,Sodium hydroxytoluenesulphonate,sodium 2-hydroxy-6-methylbenzenesulfonate,[Na+].Cc1cccc(O)c1S(=O)(=O)[O-],[Na+].Cc1cccc(O)c1S(=O)(=O)[O-],"InChI=1/C7H8O4S.Na/c1-5-3-2-4-6(8)7(5)12(9,10)11;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1",C7H8O4S.Na,,,,,,JDWSGQKRRPFRBU-UHFFFAOYSA-M,,,,,,,,,,,
100.052.377,257-633-2,52065-71-1,"a,a-diisopropylphenethyl alcohol","3-benzyl-2,4-dimethylpentan-3-ol",CC(C)C(O)(Cc1ccccc1)C(C)C,CC(C)C(O)(Cc1ccccc1)C(C)C,"InChI=1/C14H22O/c1-11(2)14(15,12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3",C14H22O,,,,,,SCUFFASZSQKIIG-UHFFFAOYSA-N,,,,,,,,,,,
100.052.379,257-635-3,52067-92-2,[2-(aminomethyl)phenyl]acetic acid hydrochloride,[2-(aminomethyl)phenyl]acetic acid hydrochloride,Cl.NCc1ccccc1CC(=O)O,Cl.NCc1ccccc1CC(=O)O,"InChI=1/C9H11NO2.ClH/c10-6-8-4-2-1-3-7(8)5-9(11)12;/h1-4H,5-6,10H2,(H,11,12);1H",C9H11NO2.ClH,,,,,,LLGULXJQFZWSCT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.570,277-649-3,73952-83-7,"1,4:3,6-dianhydro-2-chloro-2-deoxy-D-glucitol","1,4:3,6-dianhydro-2-chloro-2-deoxy-D-glucitol",O[C@@H]1CO[C@@H]2[C@@H](Cl)CO[C@H]12,O[C@@H]1CO[C@@H]2[C@@H](Cl)CO[C@H]12,"InChI=1/C6H9ClO3/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6,8H,1-2H2",C6H9ClO3,,,,,,QHRUTSDJBYFWPQ-SLPGGIOYSA-N,,,,,,,,,,,
100.063.230,269-573-4,68298-49-7,6-isopropyl-3-methylcyclohexen-1-yl acetate,6-isopropyl-3-methylcyclohex-1-en-1-yl acetate,CC(C)C1CCC(C)C=C1OC(=O)C,CC(C)C1CCC(C)C=C1OC(=O)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-9,11H,5-6H2,1-4H3",C12H20O2,,,,,,FJUUBJPVVOEJMG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.232,269-576-0,68298-60-2,2-[butyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl acrylate,2-{butyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl acrylate,CCCCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCCCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H16F15NO4S/c1-3-5-6-32(7-8-36-9(33)4-2)37(34,35)16(30,31)14(25,26)12(21,22)10(17,18)11(19,20)13(23,24)15(27,28)29/h4H,2-3,5-8H2,1H3",C16H16F15NO4S,,,,,,ZGQOMXKQOOGSHP-UHFFFAOYSA-N,,,,,,,,,,,
100.063.233,269-577-6,68298-72-6,2-[[[[5-[[[2-[ethyl[(heptadecafluorooctyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(5-{[(2-{ethyl[(heptadecafluorooctyl)sulfonyl]amino}ethoxy)carbonyl]amino}-2-methylphenyl)carbamoyl]oxy}propyl methacrylate,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C28H28F17N3O8S/c1-6-48(9-10-54-19(50)46-16-8-7-14(4)17(11-16)47-20(51)56-15(5)12-55-18(49)13(2)3)57(52,53)28(44,45)26(39,40)24(35,36)22(31,32)21(29,30)23(33,34)25(37,38)27(41,42)43/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,46,50)(H,47,51)",C28H28F17N3O8S,,,,,,WUGSPVXFVQZHFC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.239,269-583-9,68298-86-2,"(Z)-4,5-dihydro-4-methyl-2-(9-octadecenyl)oxazole-4-methanol hydrofluoride","(4-methyl-2-octadec-9-en-1-yl-4,5-dihydro-1,3-oxazol-4-yl)methanol hydrofluoride",F.CCCCCCCC\\C=C/CCCCCCCCC1=NC(C)(CO)CO1,F.CCCCCCCC\C=C/CCCCCCCCC1=NC(C)(CO)CO1,"InChI=1/C23H43NO2.FH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(2,20-25)21-26-22;/h10-11,25H,3-9,12-21H2,1-2H3;1H",C23H43NO2.FH,,,,,,WQMOAMFHAPFUDC-GMFCBQQYSA-N,,,,,,,,,,,
100.063.240,269-584-4,68298-89-5,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(4-hydroxybutyl)-N-methylheptane-1-sulphonamide","1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(4-hydroxybutyl)-N-methylheptane-1-sulfonamide",CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H12F15NO3S/c1-28(4-2-3-5-29)32(30,31)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h29H,2-5H2,1H3",C12H12F15NO3S,,,,,,PNBLAQHWLKUKEU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.254,269-601-5,68299-19-4,Sodium [[(nonafluorobutyl)sulphonyl]amino]toluenesulphonate,sodium 2-methyl-6-{[(nonafluorobutyl)sulfonyl]amino}benzenesulfonate,[Na+].Cc1cccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1S(=O)(=O)[O-],[Na+].Cc1cccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1S(=O)(=O)[O-],"InChI=1/C11H8F9NO5S2.Na/c1-5-3-2-4-6(7(5)27(22,23)24)21-28(25,26)11(19,20)9(14,15)8(12,13)10(16,17)18;/h2-4,21H,1H3,(H,22,23,24);/q;+1/p-1",C11H8F9NO5S2.Na,,,,,,CUEBNPHMVHAMKS-UHFFFAOYSA-M,,,,,,,,,,,
100.063.255,269-602-0,68299-20-7,Sodium [[[(undecafluoropentyl)sulphonyl]amino]methyl]benzenesulphonate,sodium 2-({[(undecafluoropentyl)sulfonyl]amino}methyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccccc1CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]S(=O)(=O)c1ccccc1CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H8F11NO5S2.Na/c13-8(14,9(15,16)11(19,20)21)10(17,18)12(22,23)31(28,29)24-5-6-3-1-2-4-7(6)30(25,26)27;/h1-4,24H,5H2,(H,25,26,27);/q;+1/p-1",C12H8F11NO5S2.Na,,,,,,ZOLFZTRCIJDXKB-UHFFFAOYSA-M,,,,,,,,,,,
100.075.836,283-448-1,84642-70-6,Tris(2-propylphenyl) phosphate,tris(2-propylphenyl) phosphate,CCCc1ccccc1OP(=O)(Oc2ccccc2CCC)Oc3ccccc3CCC,CCCc1ccccc1OP(=O)(Oc2ccccc2CCC)Oc3ccccc3CCC,"InChI=1/C27H33O4P/c1-4-13-22-16-7-10-19-25(22)29-32(28,30-26-20-11-8-17-23(26)14-5-2)31-27-21-12-9-18-24(27)15-6-3/h7-12,16-21H,4-6,13-15H2,1-3H3",C27H33O4P,,,,,,FPIUEVPELBLXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.838,283-450-2,84643-53-8,(2-hydroxyethyl)(2-hydroxyhexadecyl)dimethylammonium chloride,"2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO,[Cl-].CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO,"InChI=1/C20H44NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-21(2,3)17-18-22;/h20,22-23H,4-19H2,1-3H3;1H/q+1;/p-1",C20H44NO2.Cl,,,,,,RQWRCBGTSNWJKX-UHFFFAOYSA-M,,,,,,,,,,,
100.077.379,285-148-6,85030-24-6,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxyethyl)dimethylammonium acetate,"2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N-(2-hydroxyethyl)-N,N-dimethylethanaminium acetate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CCO)[N+]([O-])=O.[O-]C(C)=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CCO)[N+]([O-])=O.[O-]C(C)=O,"InChI=1/C20H27ClN5O3.C2H4O2/c1-4-24(11-12-26(2,3)13-14-27)17-7-5-16(6-8-17)22-23-20-10-9-18(25(28)29)15-19(20)21;1-2(3)4/h5-10,15,27H,4,11-14H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C20H27ClN5O3.C2H3O2,,,,,,JEGYQKQNBGMCBX-UHFFFAOYSA-M,,,,,,,,,,,
100.076.741,284-445-8,84878-52-4,"5,9-dimethyl-8-decen-4-ol","5,9-dimethyldec-8-en-4-ol",CCCC(O)C(C)CCC=C(C)C,CCCC(O)C(C)CCC=C(C)C,"InChI=1/C12H24O/c1-5-7-12(13)11(4)9-6-8-10(2)3/h8,11-13H,5-7,9H2,1-4H3",C12H24O,,,,,,WALJOKOFEWERTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.829,255-931-7,42759-78-4,"2,6-bis[(4-azidophenyl)methylene]-4-hydroxycyclohexan-1-one","2,6-bis(4-azidobenzylidene)-4-hydroxycyclohexanone",OC3CC(=Cc1ccc(\\N=[N+]=[N-])cc1)C(=O)C(=Cc2ccc(\\N=[N+]=[N-])cc2)C3,OC3CC(=Cc1ccc(\N=[N+]=[N-])cc1)C(=O)C(=Cc2ccc(\N=[N+]=[N-])cc2)C3,"InChI=1/C20H16N6O2/c21-25-23-17-5-1-13(2-6-17)9-15-11-19(27)12-16(20(15)28)10-14-3-7-18(8-4-14)24-26-22/h1-10,19,27H,11-12H2",C20H16N6O2,,,,,,QUVZIPHUYYZGMW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.831,255-933-8,42771-77-7,"1-(2-nitro[1,1'-biphenyl]-4-yl)ethan-1-one",1-(2-nitrobiphenyl-4-yl)ethanone,CC(=O)c1ccc(c2ccccc2)c(c1)[N+](=O)[O-],CC(=O)c1ccc(c2ccccc2)c(c1)[N+](=O)[O-],"InChI=1/C14H11NO3/c1-10(16)12-7-8-13(14(9-12)15(17)18)11-5-3-2-4-6-11/h2-9H,1H3",C14H11NO3,,,,,,RYDDNTFGUBVICV-UHFFFAOYSA-N,,,,,,,,,,,
100.050.836,255-939-0,42781-68-0,Calcium di(naphthalene-2-sulphonate),calcium dinaphthalene-2-sulfonate,[Ca+2].[O-]S(=O)(=O)c1ccc2ccccc2c1.[O-]S(=O)(=O)c3ccc4ccccc4c3,[Ca+2].[O-]S(=O)(=O)c1ccc2ccccc2c1.[O-]S(=O)(=O)c3ccc4ccccc4c3,"InChI=1/2C10H8O3S.Ca/c2*11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,11,12,13);/q;;+2/p-2",C10H8O3S.1/2Ca,,,,,,XZCJIXJQEJKFHE-UHFFFAOYSA-L,,,,,,,,,,,
100.050.843,255-946-9,42798-11-8,Diethyl ethyl(phenylthio)malonate,diethyl ethyl(phenylsulfanyl)malonate,CCOC(=O)C(CC)(Sc1ccccc1)C(=O)OCC,CCOC(=O)C(CC)(Sc1ccccc1)C(=O)OCC,"InChI=1/C15H20O4S/c1-4-15(13(16)18-5-2,14(17)19-6-3)20-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3",C15H20O4S,,,,,,MCHPGTVLOOEBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.844,255-947-4,42798-67-4,2-(p-benzylphenoxy)thiazole,"2-(4-benzylphenoxy)-1,3-thiazole",C(c1ccccc1)c2ccc(Oc3nccs3)cc2,C(c1ccccc1)c2ccc(Oc3nccs3)cc2,"InChI=1/C16H13NOS/c1-2-4-13(5-3-1)12-14-6-8-15(9-7-14)18-16-17-10-11-19-16/h1-11H,12H2",C16H13NOS,,,,,,OCLSTJCLYYWKQA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.184,283-833-4,84731-74-8,1-(pyridin-2-yl)cyclohexyl acetate,1-pyridin-2-ylcyclohexyl acetate,CC(=O)OC1(CCCCC1)c2ccccn2,CC(=O)OC1(CCCCC1)c2ccccn2,"InChI=1/C13H17NO2/c1-11(15)16-13(8-4-2-5-9-13)12-7-3-6-10-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3",C13H17NO2,,,,,,OBWWYNFWJUGTMA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.187,283-837-6,84731-77-1,"Octahydro-3,6,8,8-tetramethyl-4H-3a,7-methanoazulen-4-one",cedran-10-one,CC1CC(=O)C23CC1C(C)(C)C2CCC3C,CC1CC(=O)C23CC1C(C)(C)C2CCC3C,"InChI=1/C15H24O/c1-9-7-13(16)15-8-11(9)14(3,4)12(15)6-5-10(15)2/h9-12H,5-8H2,1-4H3",C15H24O,,,,,,PPWWRCLYJYCTBW-UHFFFAOYSA-N,,,,,,,,,,,
100.076.197,283-848-6,84753-02-6,"1,1'-[iminobis(propane-3,1-diylimino)]ditetradecan-2-ol","1,1'-[iminobis(propane-3,1-diylimino)]ditetradecan-2-ol",CCCCCCCCCCCCC(O)CNCCCNCCCNCC(O)CCCCCCCCCCCC,CCCCCCCCCCCCC(O)CNCCCNCCCNCC(O)CCCCCCCCCCCC,"InChI=1/C34H73N3O2/c1-3-5-7-9-11-13-15-17-19-21-25-33(38)31-36-29-23-27-35-28-24-30-37-32-34(39)26-22-20-18-16-14-12-10-8-6-4-2/h33-39H,3-32H2,1-2H3",C34H73N3O2,,,,,,FHXNVHGVQIYANJ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.200,283-851-2,84753-05-9,Dodecyl(2-hydroxyethyl)dimethylammonium methanesulphonate,"N-(2-hydroxyethyl)-N,N-dimethyldodecan-1-aminium methanesulfonate",CCCCCCCCCCCC[N+](C)(C)CCO.CS(=O)(=O)[O-],CCCCCCCCCCCC[N+](C)(C)CCO.CS(=O)(=O)[O-],"InChI=1/C16H36NO.CH4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18;1-5(2,3)4/h18H,4-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C16H36NO.CH3O3S,,,,,,SDFOQNAIXDXKKN-UHFFFAOYSA-M,,,,,,,,,,,
100.076.201,283-852-8,84753-06-0,"Tetrasodium 4,4'-bis[(1-hydroxy-4-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-2,2'-disulphonate","tetrasodium 4,4'-bis[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]biphenyl-2,2'-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(c(c1)S([O-])(=O)=O)c2ccc(cc2S([O-])(=O)=O)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)c(O)c6ccccc56,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1ccc(c(c1)S([O-])(=O)=O)c2ccc(cc2S([O-])(=O)=O)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O)c(O)c6ccccc56,"InChI=1/C32H22N4O14S4.4Na/c37-31-23-7-3-1-5-19(23)29(53(45,46)47)15-25(31)35-33-17-9-11-21(27(13-17)51(39,40)41)22-12-10-18(14-28(22)52(42,43)44)34-36-26-16-30(54(48,49)50)20-6-2-4-8-24(20)32(26)38;;;;/h1-16,37-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",C32H22N4O14S4.4Na,,,,,,USDZYAJCEHBAOX-UHFFFAOYSA-J,,,,,,,,,,,
100.076.203,283-854-9,84753-08-2,"1,3-bis(2-ethylhexyl)cyclohexane","1,3-bis(2-ethylhexyl)cyclohexane",CCCCC(CC)CC1CCCC(CC(CC)CCCC)C1,CCCCC(CC)CC1CCCC(CC(CC)CCCC)C1,"InChI=1/C22H44/c1-5-9-12-19(7-3)16-21-14-11-15-22(18-21)17-20(8-4)13-10-6-2/h19-22H,5-18H2,1-4H3",C22H44,,,,,,DFIIJEHQGUKXKU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.166,251-899-3,34256-82-1,2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide,2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide,CCOCN(C(=O)CCl)c1c(C)cccc1CC,CCOCN(C(=O)CCl)c1c(C)cccc1CC,"InChI=1/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",C14H20ClNO2,,,,,,VTNQPKFIQCLBDU-UHFFFAOYSA-N,Positive,AU322101|AU322102|AU322103|AU322104|AU322105;SM848201;EA010401|EA010402|EA010403|EA010404|EA010405|EA010406|EA010407|EA010408|EA010409|EA010410|EA010411|EA010412|EA010413|EA010414,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,224.0828:226.0801:270.125|148.1111:224.0828:226.0801|148.1112:133.0878:132.0799|133.0878:148.1111:134.0909|133.0876:134.091:148.1115;224.0837:148.1121:59.0493;224.0838:148.1119:210.0681|224.0838:270.1255:148.1121|224.0835:148.112:194.0728|148.1121:224.0836:149.0959|148.112:133.0885:149.0962|133.0885:148.112:132.0807|133.0886:132.0806:148.112|224.0836:270.1254:148.112|224.0836:148.1121:210.0679|148.112:224.0837:149.096|148.112:133.0885:149.0961|133.0885:148.112:132.081|133.0885:132.0808:148.112|224.0837:148.112:210.068,Athens_Univ;CASMI_2016;Eawag,,,,,
100.047.167,251-900-7,34259-73-9,Chloropropoxymagnesium,magnesium chloride propan-1-olate,CCCO[Mg]Cl,CCCO[Mg]Cl,"InChI=1/C3H7O.ClH.Mg/c1-2-3-4;;/h2-3H2,1H3;1H;/q-1;;+2/p-1/rC3H7ClMgO/c1-2-3-6-5-4/h2-3H2,1H3",C3H7ClMgO,,,,,,UYICAKKJLNIPRK-UHFFFAOYSA-M,,,,,,,,,,,
100.047.168,251-901-2,34262-88-9,Cobalt terephthalate,cobalt(2+) terephthalate,[Co+2].[O-]C(=O)c1ccc(cc1)C(=O)[O-],[Co+2].[O-]C(=O)c1ccc(cc1)C(=O)[O-],"InChI=1/C8H6O4.Co/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2",C8H6O4.xCo,,,,,,OEGQYSCBJGUGEN-UHFFFAOYSA-L,,,,,,,,,,,
100.071.264,278-413-2,76291-91-3,(R)-5-tridecylfuran-2(5H)-one,5-tridecylfuran-2(5H)-one,CCCCCCCCCCCCC[C@H]1OC(=O)C=C1,CCCCCCCCCCCCC[C@H]1OC(=O)C=C1,"InChI=1/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h14-16H,2-13H2,1H3",C17H30O2,,,,,,VXYITLXRBYCEBM-MRXNPFEDSA-N,,,,,,,,,,,
100.071.268,278-417-4,76311-90-5,3-bromo-5-methylfuran-2(5H)-one,3-bromo-5-methylfuran-2(5H)-one,CC1OC(=O)C(=C1)Br,CC1OC(=O)C(=C1)Br,"InChI=1/C5H5BrO2/c1-3-2-4(6)5(7)8-3/h2-3H,1H3",C5H5BrO2,,,,,,QBONKIWPMYSFGP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.272,278-422-1,76330-71-7,Altanserin,"3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-thioxo-2,3-dihydroquinazolin-4(1H)-one",Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=S)Nc4ccccc4C3=O)CC2,Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=S)Nc4ccccc4C3=O)CC2,"InChI=1/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)",C22H22FN3O2S,,,,,,SMYALUSCZJXWHG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.280,278-431-0,76372-58-2,"7-(diethylamino)-1,3-dihydroxyphenoxazin-5-ium chloride","7-(diethylamino)-1,3-dihydroxyphenoxazin-5-ium chloride",[Cl-].CCN(CC)c1ccc2nc3c(O)cc(O)cc3[o+]c2c1,[Cl-].CCN(CC)c1ccc2nc3c(O)cc(O)cc3[o+]c2c1,"InChI=1/C16H16N2O3.ClH/c1-3-18(4-2)10-5-6-12-14(7-10)21-15-9-11(19)8-13(20)16(15)17-12;/h5-9H,3-4H2,1-2H3,(H-,19,20);1H",C16H17N2O3.Cl,,,,,,YOTLTXHBWCQXLD-UHFFFAOYSA-M,,,,,,,,,,,
100.071.292,278-444-1,76408-63-4,2-[[[4-(phenylazo)phenyl]methyl]sulphonyl]ethyl S-(acetamidomethyl)-N-[N-[N-[N-(tert-butoxycarbonyl)-3-phenyl-L-alanyl]-L-threonyl]-L-seryl]-L-cysteinate,2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N-(tert-butoxycarbonyl)phenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C42H55N7O12S2/c1-27(51)36(47-37(53)33(22-29-12-8-6-9-13-29)46-41(57)61-42(3,4)5)39(55)44-34(23-50)38(54)45-35(24-62-26-43-28(2)52)40(56)60-20-21-63(58,59)25-30-16-18-32(19-17-30)49-48-31-14-10-7-11-15-31/h6-19,27,33-36,50-51H,20-26H2,1-5H3,(H,43,52)(H,44,55)(H,45,54)(H,46,57)(H,47,53)",C42H55N7O12S2,,,,,,PSMVBEIEHIATJT-UIUQHOHKSA-N,,,,,,,,,,,
100.071.461,278-630-2,77130-83-7,"4-amino-3,5-dichloro-6-fluoropyridin-2(1H)-one, monosodium salt",-,[Na+].NC1=C(Cl)C(=O)NC(=C1Cl)F,[Na+].NC1=C(Cl)C(=O)NC(=C1Cl)F,"InChI=1/C5H3Cl2FN2O.Na/c6-1-3(9)2(7)5(11)10-4(1)8;/h(H3,9,10,11);/q;+1",C5H3Cl2FN2O.Na,,,,,,NLCWQDBHURVCMI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.462,278-631-8,77154-16-6,"N-[3-chloro-4-[(4-hydroxy[1,1'-biphenyl]-3-yl)azo]phenyl]acetamide",N-{3-chloro-4-[(4-hydroxybiphenyl-3-yl)diazenyl]phenyl}acetamide,Clc3cc(ccc3N=Nc1cc(ccc1O)c2ccccc2)NC(C)=O,Clc3cc(ccc3N=Nc1cc(ccc1O)c2ccccc2)NC(C)=O,"InChI=1/C20H16ClN3O2/c1-13(25)22-16-8-9-18(17(21)12-16)23-24-19-11-15(7-10-20(19)26)14-5-3-2-4-6-14/h2-12,26H,1H3,(H,22,25)",C20H16ClN3O2,,,,,,RUOWZMURTIZENY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.467,278-637-0,77189-04-9,"2,6-bis(2-ethylhexyl)cyclohexan-1-ol","2,6-bis(2-ethylhexyl)cyclohexanol",CCCCC(CC)CC1CCCC(CC(CC)CCCC)C1O,CCCCC(CC)CC1CCCC(CC(CC)CCCC)C1O,"InChI=1/C22H44O/c1-5-9-12-18(7-3)16-20-14-11-15-21(22(20)23)17-19(8-4)13-10-6-2/h18-23H,5-17H2,1-4H3",C22H44O,,,,,,MEVPWSGMRKHLRE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.468,278-638-6,77194-15-1,Zinc bis(nonylphenolate),zinc bis(2-nonylphenolate),[Zn+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],[Zn+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],"InChI=1/2C15H24O.Zn/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2",C15H24O.1/2Zn,,,,,,KEWUWYORWGALNZ-UHFFFAOYSA-L,,,,,,,,,,,
100.071.470,278-640-7,77207-01-3,Ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate,ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate,CCOC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],CCOC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],"InChI=1/C16H11ClF3NO5/c1-2-25-15(22)11-8-10(4-5-13(11)21(23)24)26-14-6-3-9(7-12(14)17)16(18,19)20/h3-8H,2H2,1H3",C16H11ClF3NO5,,,,,,ZXYLZOBDCIFSPF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.476,278-647-5,77249-07-1,5-methoxy-2-[(methylthio)methyl]-4-pyrimidinyl dimethylcarbamate,5-methoxy-2-[(methylsulfanyl)methyl]pyrimidin-4-yl dimethylcarbamate,COc1cnc(CSC)nc1OC(=O)N(C)C,COc1cnc(CSC)nc1OC(=O)N(C)C,"InChI=1/C10H15N3O3S/c1-13(2)10(14)16-9-7(15-3)5-11-8(12-9)6-17-4/h5H,6H2,1-4H3",C10H15N3O3S,,,,,,MIVZPPWQZAABAF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.480,278-651-7,77259-34-8,Diammonium tetrabromoplatinate,diammonium tetrabromoplatinate(2-),[NH4+].[NH4+].Br[Pt-2](Br)(Br)Br,[NH4+].[NH4+].Br[Pt-2](Br)(Br)Br,InChI=1/4BrH.2H3N.Pt/h4*1H;2*1H3;/q;;;;;;+4/p-2,Br4Pt.2H4N,,,,,,FOHJVKARJLOQNI-UHFFFAOYSA-L,,,,,,,,,,,
100.071.483,278-654-3,77269-11-5,"Dimethyl 1,1'-methylenebis[5-oxo-L-prolinate]","dimethyl 1,1'-methylenebis(5-oxopyrrolidine-2-carboxylate) (non-preferred name)",COC(=O)[C@@H]1CCC(=O)N1CN2[C@@H](CCC2=O)C(=O)OC,COC(=O)[C@@H]1CCC(=O)N1CN2[C@@H](CCC2=O)C(=O)OC,"InChI=1/C13H18N2O6/c1-20-12(18)8-3-5-10(16)14(8)7-15-9(13(19)21-2)4-6-11(15)17/h8-9H,3-7H2,1-2H3",C13H18N2O6,,,,,,FGHVLJZWMVYKTE-IUCAKERBSA-N,,,,,,,,,,,
100.052.381,257-637-4,52070-48-1,"Potassium 8-ethyl-5,8-dihydro-5-oxo-2-(piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylate","potassium 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate",[K+].CCN1C=C(C(=O)[O-])C(=O)c2cnc(nc12)N3CCNCC3,[K+].CCN1C=C(C(=O)[O-])C(=O)c2cnc(nc12)N3CCNCC3,"InChI=1/C14H17N5O3.K/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;/h7-8,15H,2-6H2,1H3,(H,21,22);/q;+1/p-1",C14H17N5O3.K,,,,,,HASBJZUCMPOWLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.052.383,257-640-0,52074-26-7,N-(furan-2-ylmethylene)-3-methylbutylamine,N-(2-furylmethylene)-3-methylbutan-1-amine,CC(C)CCN=Cc1ccco1,CC(C)CCN=Cc1ccco1,"InChI=1/C10H15NO/c1-9(2)5-6-11-8-10-4-3-7-12-10/h3-4,7-9H,5-6H2,1-2H3",C10H15NO,,,,,,TWRSDQOEZIGDMD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.390,257-647-9,52083-12-2,"1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonic acid","1,3-dioxo-1H,3H-benzo[de]isochromene-6-sulfonic acid",OS(=O)(=O)c1ccc2C(=O)OC(=O)c3cccc1c23,OS(=O)(=O)c1ccc2C(=O)OC(=O)c3cccc1c23,"InChI=1/C12H6O6S/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11/h1-5H,(H,15,16,17)",C12H6O6S,,,,,,HOMQUHGCYPKWEY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.391,257-648-4,52083-48-4,"1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid","4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid",CN1C(=O)N(C)c2ncn(CCCC(=O)O)c2C1=O,CN1C(=O)N(C)c2ncn(CCCC(=O)O)c2C1=O,"InChI=1/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)",C11H14N4O4,,,,,,KCQMWMWEALWVLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.399,257-657-3,52092-65-6,"9ß,11ß-epoxy-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate","16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@H]1C(=O)COC(=O)C,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@H]1C(=O)COC(=O)C,"InChI=1/C24H30O5/c1-13-9-18-17-6-5-15-10-16(26)7-8-23(15,4)24(17)20(29-24)11-22(18,3)21(13)19(27)12-28-14(2)25/h7-8,10,13,17-18,20-21H,5-6,9,11-12H2,1-4H3",C24H30O5,,,,,,JKRMOSPJNPCGSZ-QNAHPZDQSA-N,,,,,,,,,,,
100.052.404,257-663-6,52106-89-5,Sodium 4-chloro-2-nitrophenolate,sodium 4-chloro-2-nitrophenolate,[Na+].[O-]c1ccc(Cl)cc1[N+](=O)[O-],[Na+].[O-]c1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C6H4ClNO3.Na/c7-4-1-2-6(9)5(3-4)8(10)11;/h1-3,9H;/q;+1/p-1",C6H4ClNO3.Na,,,,,,RZAGPHLEVNSUSG-UHFFFAOYSA-M,,,,,,,,,,,
100.052.405,257-664-1,52107-47-8,N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-tyrosine,N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-tyrosine,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O,"InChI=1/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(27,28)22-18(21(25)26)13-14-9-11-15(24)12-10-14/h3-12,18,22,24H,13H2,1-2H3,(H,25,26)",C21H22N2O5S,,,,,,JPGUWJLXQOQWNI-SFHVURJKSA-N,,,,,,,,,,,
100.052.407,257-666-2,52110-05-1,"Silicic acid, magnesium zirconium salt",-,[Mg+2].[Zr+2].[O-][Si](=O)[O-],[Mg+2].[Zr+2].[O-][Si](=O)[O-],InChI=1/Mg.O3Si.Zr/c;1-4(2)3;/q+2;-2;+2,-,,,,,,PPWXRFYDKDUCJL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.408,257-667-8,52117-13-2,"N-(a,a-dimethylphenethyl)formamide","N-(1,1-dimethyl-2-phenylethyl)formamide",CC(C)(Cc1ccccc1)NC=O,CC(C)(Cc1ccccc1)NC=O,"InChI=1/C11H15NO/c1-11(2,12-9-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)",C11H15NO,,,,,,VDURGCJDOKTFHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.002,278-125-7,75208-40-1,Quinuclidine-3-carboxylic acid,quinuclidine-3-carboxylic acid,OC(=O)C1CN2CCC1CC2,OC(=O)C1CN2CCC1CC2,"InChI=1/C8H13NO2/c10-8(11)7-5-9-3-1-6(7)2-4-9/h6-7H,1-5H2,(H,10,11)",C8H13NO2,,,,,,PUIHXLMMFNAYNW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.218,251-956-2,34356-31-5,13-cis-retinyl acetate,O~15~-acetylretinol,CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,"InChI=1/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3",C22H32O2,,,,,,QGNJRVVDBSJHIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.219,251-957-8,34356-65-5,"5-ethyl-5-phenylbarbituric acid, compound with 1,2-dihydro-4-isopropyl-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)","4-isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one - 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (1:1)",CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC(C)C3=C(C)N(C)N(C3=O)c4ccccc4,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC(C)C3=C(C)N(C)N(C3=O)c4ccccc4,"InChI=1/C14H18N2O.C12H12N2O3/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h5-10H,1-4H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)",C14H18N2O.C12H12N2O3,,,,,,GEZUXUPVAULSOW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.225,251-964-6,34364-26-6,Bismuth(3+) neodecanoate,"tris[(3,3,5,5-tetramethylhexanoyl)oxy]bismuthine",CC(C)(C)CC(C)(C)CC(=O)O[Bi](OC(=O)CC(C)(C)CC(C)(C)C)OC(=O)CC(C)(C)CC(C)(C)C,CC(C)(C)CC(C)(C)CC(=O)O[Bi](OC(=O)CC(C)(C)CC(C)(C)C)OC(=O)CC(C)(C)CC(C)(C)C,"InChI=1/3C10H20O2.Bi/c3*1-9(2,3)7-10(4,5)6-8(11)12;/h3*6-7H2,1-5H3,(H,11,12);/q;;;+3/p-3",C10H20O2.1/3Bi,,,,,,FNYKAWJEEWSNEH-UHFFFAOYSA-K,,,,,,,,,,,
100.076.742,284-446-3,84878-53-5,"4-(2,6-dimethylhepta-1,5-dienyl)heptane-2,6-dione","4-(2,6-dimethylhepta-1,5-dien-1-yl)heptane-2,6-dione",CC(=O)CC(C=C(C)CC\\C=C(/C)C)CC(C)=O,CC(=O)CC(C=C(C)CC\C=C(/C)C)CC(C)=O,"InChI=1/C16H26O2/c1-12(2)7-6-8-13(3)9-16(10-14(4)17)11-15(5)18/h7,9,16H,6,8,10-11H2,1-5H3",C16H26O2,,,,,,VQJBKPGRSJADAG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.744,284-448-4,84878-55-7,"4-(2,2-diethoxy-1-methylethyl)toluene","1-(2,2-diethoxy-1-methylethyl)-4-methylbenzene",CCOC(OCC)C(C)c1ccc(C)cc1,CCOC(OCC)C(C)c1ccc(C)cc1,"InChI=1/C14H22O2/c1-5-15-14(16-6-2)12(4)13-9-7-11(3)8-10-13/h7-10,12,14H,5-6H2,1-4H3",C14H22O2,,,,,,HBWCYDHYDKNPLM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.504,279-778-0,81526-32-1,Allyl butyl trithiocarbonate,allyl butyl trithiocarbonate,CCCCSC(=S)SCC=C,CCCCSC(=S)SCC=C,"InChI=1/C8H14S3/c1-3-5-7-11-8(9)10-6-4-2/h4H,2-3,5-7H2,1H3",C8H14S3,,,,,,KVVIMNRQROUFAP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.522,279-797-4,81705-13-7,2-[(4-chloro-o-tolyl)azo]-3-oxo-N-phenylbutyramide,2-[(4-chloro-2-methylphenyl)diazenyl]-3-oxo-N-phenylbutanamide,Clc2cc(C)c(N=NC(C(C)=O)C(=O)Nc1ccccc1)cc2,Clc2cc(C)c(N=NC(C(C)=O)C(=O)Nc1ccccc1)cc2,"InChI=1/C17H16ClN3O2/c1-11-10-13(18)8-9-15(11)20-21-16(12(2)22)17(23)19-14-6-4-3-5-7-14/h3-10,16H,1-2H3,(H,19,23)",C17H16ClN3O2,,,,,,XLSCUTKKIMDIKT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.525,279-801-4,81720-94-7,(4-amino-2-chlorophenyl)(4-chlorophenyl)acetonitrile,(4-amino-2-chlorophenyl)(4-chlorophenyl)acetonitrile,Nc1ccc(C(C#N)c2ccc(Cl)cc2)c(Cl)c1,Nc1ccc(C(C#N)c2ccc(Cl)cc2)c(Cl)c1,"InChI=1/C14H10Cl2N2/c15-10-3-1-9(2-4-10)13(8-17)12-6-5-11(18)7-14(12)16/h1-7,13H,18H2",C14H10Cl2N2,,,,,,GJYVIYJLSWIBLM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.526,279-803-5,81730-11-2,"Sodium [(2,5-dimethylphenyl)amino]methanesulphonate","sodium [(2,5-dimethylphenyl)amino]methanesulfonate",[Na+].Cc1ccc(C)c(NCS(=O)(=O)[O-])c1,[Na+].Cc1ccc(C)c(NCS(=O)(=O)[O-])c1,"InChI=1/C9H13NO3S.Na/c1-7-3-4-8(2)9(5-7)10-6-14(11,12)13;/h3-5,10H,6H2,1-2H3,(H,11,12,13);/q;+1/p-1",C9H13NO3S.Na,,,,,,DJHOVNIYZXIWGM-UHFFFAOYSA-M,,,,,,,,,,,
100.070.598,277-680-2,74050-98-9,Ketanserin,"3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}quinazoline-2,4(1H,3H)-dione",Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=O)Nc4ccccc4C3=O)CC2,Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=O)Nc4ccccc4C3=O)CC2,"InChI=1/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)",C22H22FN3O3,,,,,,FPCCSQOGAWCVBH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.601,277-683-9,74051-83-5,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]myristamide,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)tetradecanamide,CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN,CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1/C22H49N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(28)27-21-20-26-19-18-25-17-16-24-15-14-23/h24-26H,2-21,23H2,1H3,(H,27,28)",C22H49N5O,,,,,,XEBAOWPFXXTTNB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.619,277-704-1,74070-46-5,2-chloro-6-nitro-3-phenoxyaniline,2-chloro-6-nitro-3-phenoxyaniline,Nc1c(Cl)c(Oc2ccccc2)ccc1[N+](=O)[O-],Nc1c(Cl)c(Oc2ccccc2)ccc1[N+](=O)[O-],"InChI=1/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2",C12H9ClN2O3,,,,,,DDBMQDADIHOWIC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.624,277-709-9,74086-66-1,3-phenyl-N-[3-phenyl-N-[(phenylmethoxy)carbonyl]-D-alanyl]-L-alanine,N-[(benzyloxy)carbonyl]-D-phenylalanylphenylalanine,OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3,OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3,"InChI=1/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)",C26H26N2O5,,,,,,JNRHNGGTJOBXHL-PKTZIBPZSA-N,,,,,,,,,,,
100.062.250,268-495-8,68109-84-2,"2-ethylhexyl hydrogen 3,3'-[(phenylmethylene)bis(thio)]dipropionate",3-{[({3-[(2-ethylhexyl)oxy]-3-oxopropyl}sulfanyl)(phenyl)methyl]sulfanyl}propanoic acid,CCCCC(CC)COC(=O)CCSC(SCCC(=O)O)c1ccccc1,CCCCC(CC)COC(=O)CCSC(SCCC(=O)O)c1ccccc1,"InChI=1/C21H32O4S2/c1-3-5-9-17(4-2)16-25-20(24)13-15-27-21(26-14-12-19(22)23)18-10-7-6-8-11-18/h6-8,10-11,17,21H,3-5,9,12-16H2,1-2H3,(H,22,23)",C21H32O4S2,,,,,,UTNCBRGYRRXBLM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.251,268-496-3,68109-85-3,Dibutylbis[(1-oxodocosyl)oxy]stannane,dibutyl[bis(docosanoyloxy)]stannane,CCCCCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/2C22H44O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;2*1-3-4-2;/h2*2-21H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC52H104O4Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51(53)55-57(49-11-7-3,50-12-8-4)56-52(54)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-50H2,1-4H3",C52H104O4Sn,,,,,,CHUXJFIWYUUSDJ-UHFFFAOYSA-L,,,,,,,,,,,
100.047.169,251-902-8,34263-37-1,3-allyl-2-[3-[3-allylbenzothiazol-2(3H)-ylidene]prop-1-enyl]benzothiazolium iodide,"3-allyl-2-[3-(3-allyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide",[I-].C=CC[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2CC=C,[I-].C=CC[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2CC=C,"InChI=1/C23H21N2S2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h3-15H,1-2,16-17H2;1H/q+1;/p-1",C23H21N2S2.I,,,,,,YPWICDUMOAZDQH-UHFFFAOYSA-M,,,,,,,,,,,
100.047.172,251-905-4,34272-64-5,"2,3-dihydro-4-methyl-2-thioxothiazol-5-acetic acid","(4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)acetic acid",CC1=C(CC(=O)O)SC(=S)N1,CC1=C(CC(=O)O)SC(=S)N1,"InChI=1/C6H7NO2S2/c1-3-4(2-5(8)9)11-6(10)7-3/h2H2,1H3,(H,7,10)(H,8,9)",C6H7NO2S2,,,,,,KYBOCQHDFLVQIB-UHFFFAOYSA-N,,,,,,,,,,,
100.047.177,251-911-7,34274-57-2,Butan-2-one O-[bis(2-methoxyethoxy)methylsilyl]oxime,butan-2-one O-[bis(2-methoxyethoxy)(methyl)silyl]oxime,CCC(C)=NO[Si](C)(OCCOC)OCCOC,CCC(C)=NO[Si](C)(OCCOC)OCCOC,"InChI=1/C11H25NO5Si/c1-6-11(2)12-17-18(5,15-9-7-13-3)16-10-8-14-4/h6-10H2,1-5H3",C11H25NO5Si,,,,,,OQQHYTNNRILIJI-UHFFFAOYSA-N,,,,,,,,,,,
100.047.179,251-913-8,34279-38-4,"Methyl trans-8,13-diethyl-2,3-dihydro-18-(methoxycarbonyl)-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionate","methyl 12,17-diethyl-5-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-2H,3H-porphine-7-carboxylate",CCC1=C(C)C2=NC1=CC3=NC(=CC4=NC(=C(CC(=O)OC)C5=NC(=C2)[C@H](C)[C@H]5CCC(=O)OC)C(=C4C)C(=O)OC)C(=C3C)CC,CCC1=C(C)C2=NC1=CC3=NC(=CC4=NC(=C(CC(=O)OC)C5=NC(=C2)[C@H](C)[C@H]5CCC(=O)OC)C(=C4C)C(=O)OC)C(=C3C)CC,"InChI=1/C37H42N4O6/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26/h15-17,20,24H,10-14H2,1-9H3",C37H44N4O6,,,,,,LHKBJSIDEKOSRC-HYBUGGRVSA-N,,,,,,,,,,,
100.047.185,251-920-6,34291-99-1,2-(4-isopropylphenyl)propionaldehyde,2-(4-isopropylphenyl)propanal,CC(C)c1ccc(cc1)C(C)C=O,CC(C)c1ccc(cc1)C(C)C=O,"InChI=1/C12H16O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-10H,1-3H3",C12H16O,,,,,,IZQUWQPXCQLTJY-UHFFFAOYSA-N,,,,,,,,,,,
100.047.186,251-921-1,34292-13-2,"Ethyl 2-ethylacetoacetate, sodium salt",-,[Na+].CCOC(=O)C(CC)C(=O)C,[Na+].CCOC(=O)C(CC)C(=O)C,"InChI=1/C8H14O3.Na/c1-4-7(6(3)9)8(10)11-5-2;/h7H,4-5H2,1-3H3;/q;+1",C8H13O3.Na,,,,,,OLEUKGUAYGQREG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.187,251-922-7,34294-15-0,D-glucitol hexaoleate,"1,2,3,4,5,6-hexa-O-oleoyl-D-glucitol",CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@H](OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@@H](COC(=O)CCCCCCC\\C=C/CCCCCCCC)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C114H206O12/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-107(115)121-103-105(123-109(117)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)113(125-111(119)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)114(126-112(120)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)106(124-110(118)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)104-122-108(116)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h49-60,105-106,113-114H,7-48,61-104H2,1-6H3",C114H206O12,,,,,,RKZXQQPEDGMHBJ-LIGJGSPWSA-N,,,,,,,,,,,
100.047.199,251-935-8,34320-82-6,"3-(4-nitroanilino)-1-(2,4,6-trichlorophenyl)-5-pyrazolone","5-[(4-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-1,2-dihydro-3H-pyrazol-3-one",[O-][N+](=O)c1ccc(NC2=CC(=O)N(N2)c3c(Cl)cc(Cl)cc3Cl)cc1,[O-][N+](=O)c1ccc(NC2=CC(=O)N(N2)c3c(Cl)cc(Cl)cc3Cl)cc1,"InChI=1/C15H9Cl3N4O3/c16-8-5-11(17)15(12(18)6-8)21-14(23)7-13(20-21)19-9-1-3-10(4-2-9)22(24)25/h1-7,19-20H",C15H9Cl3N4O3,,,,,,LAFXDWSKCLWRAL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.206,251-943-1,34330-15-9,3-allyl-5-(1-methylpyridin-2(1H)-ylidene)rhodanine,"3-allyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one",C=CCN1C(=O)C(SC1=S)=C2/C=C\\C=C/N2C,C=CCN1C(=O)C(SC1=S)=C2/C=C\C=C/N2C,"InChI=1/C12H12N2OS2/c1-3-7-14-11(15)10(17-12(14)16)9-6-4-5-8-13(9)2/h3-6,8H,1,7H2,2H3",C12H12N2OS2,,,,,,OSDPOVMRUCMJBN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.796,277-899-3,74499-66-4,"5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-amino-3-{[4-({4-[(6-amino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C32H24N8O11S3/c33-18-1-10-24-16(11-18)13-26(53(46,47)48)29(31(24)41)39-37-21-6-2-19(3-7-21)35-36-20-4-8-22(9-5-20)38-40-30-27(54(49,50)51)14-17-12-23(52(43,44)45)15-25(34)28(17)32(30)42/h1-15,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)",C32H24N8O11S3,,,,,,HODRTVKYUWBYAT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.801,277-904-9,74512-59-7,Tin(4+) acrylate,tin(4+) tetraacrylate,[Sn+4].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Sn+4].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/4C3H4O2.Sn/c4*1-2-3(4)5;/h4*2H,1H2,(H,4,5);/q;;;;+4/p-4",C3H4O2.1/4Sn,,,,,,XDJFUWIQZPRDDG-UHFFFAOYSA-J,,,,,,,,,,,
100.071.487,278-659-0,77294-15-6,1-(4-chloro-1-methyl-1-butenyl)-4-fluorobenzene,1-(4-chloro-1-methylbut-1-en-1-yl)-4-fluorobenzene,Fc1ccc(cc1)C(C)=CCCCl,Fc1ccc(cc1)C(C)=CCCCl,"InChI=1/C11H12ClF/c1-9(3-2-8-12)10-4-6-11(13)7-5-10/h3-7H,2,8H2,1H3",C11H12ClF,,,,,,MCEBPHCKNDQIFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.495,278-667-4,77337-76-9,3-(acetylamino)propanesulphonic acid,3-acetamidopropane-1-sulfonic acid,CC(=O)NCCCS(=O)(=O)O,CC(=O)NCCCS(=O)(=O)O,"InChI=1/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)",C5H11NO4S,,,,,,AFCGFAGUEYAMAO-UHFFFAOYSA-N,Positive/Negative,AU214501|AU214502|AU214503;EA284801|EA284802|EA284803|EA284804|EA284805|EA284806|EA284807|EA284808|EA284809|EA284810|EA284811|EA284812|EA284813|EA284814,[M+H]+;[M+H]+,CID10|CID20|CID30;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,140.0375:182.0481:141.041|140.0377:123.0112:141.0423|123.0115:140.0381;140.0375:123.0113|182.0483:140.0377:123.0114|140.0376:182.0481:123.011|140.0376:123.011:100.0757|140.0376:123.011:100.0757|123.011:140.0374:59.0491|123.0109:140.0371:59.0491|182.0481:140.0376:123.0113|140.0375:182.0481:123.011|140.0375:123.0109:100.0756|140.0376:123.011:100.0756|123.011:140.0375:59.0491|123.011:140.0376:58.0651|140.0375:123.0113,Athens_Univ;Eawag,EA284851|EA284852|EA284853|EA284854|EA284855|EA284856|EA284857|EA284858|EA284859|EA284860|EA284861|EA284862|EA284863|EA284864,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,180.0341:138.0233:80.9653|180.0338|180.0339|180.0338:79.9574:80.9652|79.9574:180.0337:80.9652|79.9574:80.9652:180.034|79.9574:80.9652:138.0227|180.0337|180.0338:79.9572:80.9653|180.0337:79.9574:80.9652|79.9574:180.0337:80.9652|79.9574:80.9652:180.0335|79.9574:80.9652|180.0339:138.0231:80.9652,Eawag
100.071.498,278-671-6,77352-27-3,(methoxymethyl)cyclododecane,(methoxymethyl)cyclododecane,COCC1CCCCCCCCCCC1,COCC1CCCCCCCCCCC1,"InChI=1/C14H28O/c1-15-13-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3",C14H28O,,,,,,ZZCPUTXODKGFBH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.129,280-465-6,83488-02-2,2-amino-6-nitro-4-(tert-pentyl)phenol,"2-amino-4-(1,1-dimethylpropyl)-6-nitrophenol",CCC(C)(C)c1cc(N)c(O)c(c1)[N+](=O)[O-],CCC(C)(C)c1cc(N)c(O)c(c1)[N+](=O)[O-],"InChI=1/C11H16N2O3/c1-4-11(2,3)7-5-8(12)10(14)9(6-7)13(15)16/h5-6,14H,4,12H2,1-3H3",C11H16N2O3,,,,,,WLJLENRIPLYJSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.132,280-468-2,83498-25-3,3-benzyl-2-methylbutyraldehyde,"2,3-dimethyl-4-phenylbutanal",CC(Cc1ccccc1)C(C)C=O,CC(Cc1ccccc1)C(C)C=O,"InChI=1/C12H16O/c1-10(11(2)9-13)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3",C12H16O,,,,,,VQGTZQHEFYJUMA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.355,280-713-3,83763-29-5,a-ethyl-4-phenylpiperidine-4-methanol,1-(4-phenylpiperidin-4-yl)propan-1-ol,CCC(O)C1(CCNCC1)c2ccccc2,CCC(O)C1(CCNCC1)c2ccccc2,"InChI=1/C14H21NO/c1-2-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,13,15-16H,2,8-11H2,1H3",C14H21NO,,,,,,MULCGBCHXCTWSK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.358,280-717-5,83763-32-0,"Disodium 4-(acetylamino)-5-hydroxynaphthalene-1,7-disulphonate","disodium 4-acetamido-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].CC(=O)Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CC(=O)Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C12H11NO8S2.2Na/c1-6(14)13-9-2-3-11(23(19,20)21)8-4-7(22(16,17)18)5-10(15)12(8)9;;/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2",C12H11NO8S2.2Na,,,,,,UAIOLVXRKBZLFO-UHFFFAOYSA-L,,,,,,,,,,,
100.073.362,280-721-7,83763-36-4,Sodium 4-hydroxy-7-[(4-methoxyphenyl)amino]naphthalene-2-sulphonate,sodium 4-hydroxy-7-[(4-methoxyphenyl)amino]naphthalene-2-sulfonate,[Na+].COc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1,[Na+].COc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1,"InChI=1/C17H15NO5S.Na/c1-23-14-5-2-12(3-6-14)18-13-4-7-16-11(8-13)9-15(10-17(16)19)24(20,21)22;/h2-10,18-19H,1H3,(H,20,21,22);/q;+1/p-1",C17H15NO5S.Na,,,,,,ZOTNRXIFPMXLAI-UHFFFAOYSA-M,,,,,,,,,,,
100.073.370,280-730-6,83763-44-4,Bis[p-(methoxycarbonyl)phenylammonium] sulphate,bis[4-(methoxycarbonyl)anilinium] sulfate,COC(=O)c1ccc([NH3+])cc1.COC(=O)c2ccc([NH3+])cc2.[O-]S(=O)(=O)[O-],COC(=O)c1ccc([NH3+])cc1.COC(=O)c2ccc([NH3+])cc2.[O-]S(=O)(=O)[O-],"InChI=1/2C8H9NO2.H2O4S/c2*1-11-8(10)6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5H,9H2,1H3;(H2,1,2,3,4)",C8H9NO2.1/2H2O4S,,,,,,JQTLYQBPNSVNEF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.372,280-732-7,83763-46-6,"Calcium 2-amino-5-hydroxynaphthalene-1,7-disulphonate","calcium 2-amino-5-hydroxynaphthalene-1,7-disulfonate",[Ca+2].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],[Ca+2].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.Ca/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+2/p-2",C10H9NO7S2.Ca,,,,,,AZDYEJCAXVRIQN-UHFFFAOYSA-L,,,,,,,,,,,
100.075.001,282-527-8,84254-82-0,2-methylpentyl isobutyrate,2-methylpentyl 2-methylpropanoate,CCCC(C)COC(=O)C(C)C,CCCC(C)COC(=O)C(C)C,"InChI=1/C10H20O2/c1-5-6-9(4)7-12-10(11)8(2)3/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,VXQWSPZASJTSMH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.003,282-529-9,84254-84-2,3-methylpentyl isobutyrate,3-methylpentyl 2-methylpropanoate,CCC(C)CCOC(=O)C(C)C,CCC(C)CCOC(=O)C(C)C,"InChI=1/C10H20O2/c1-5-9(4)6-7-12-10(11)8(2)3/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,LZNMQJJPLLZBLG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.011,282-538-8,84254-92-2,"3',4'-dihydroxy-2-(isopropylamino)butyrophenone","1-(3,4-dihydroxyphenyl)-2-(isopropylamino)butan-1-one",CCC(NC(C)C)C(=O)c1ccc(O)c(O)c1,CCC(NC(C)C)C(=O)c1ccc(O)c(O)c1,"InChI=1/C13H19NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,14-16H,4H2,1-3H3",C13H19NO3,,,,,,NHSSSPKMGHYPKB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.016,282-544-0,84254-97-7,"1'-(phenylmethyl)-[1,4'-bipiperidine]-4'-carbonitrile","1'-benzyl-1,4'-bipiperidine-4'-carbonitrile",N#CC1(CCN(Cc2ccccc2)CC1)N3CCCCC3,N#CC1(CCN(Cc2ccccc2)CC1)N3CCCCC3,"InChI=1/C18H25N3/c19-16-18(21-11-5-2-6-12-21)9-13-20(14-10-18)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-15H2",C18H25N3,,,,,,XXZATAXHOSMHKY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.018,282-546-1,84254-99-9,1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile,1-benzyl-4-[(3-chlorophenyl)amino]piperidine-4-carbonitrile,Clc1cccc(NC2(CCN(Cc3ccccc3)CC2)C#N)c1,Clc1cccc(NC2(CCN(Cc3ccccc3)CC2)C#N)c1,"InChI=1/C19H20ClN3/c20-17-7-4-8-18(13-17)22-19(15-21)9-11-23(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14H2",C19H20ClN3,,,,,,RSJDUDFFVNFZPH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.228,251-967-2,34367-37-8,4-(trifluoromethoxy)-4'-(trifluoromethyl)benzophenone,[4-(trifluoromethoxy)phenyl][4-(trifluoromethyl)phenyl]methanone,FC(F)(F)Oc1ccc(cc1)C(=O)c2ccc(cc2)C(F)(F)F,FC(F)(F)Oc1ccc(cc1)C(=O)c2ccc(cc2)C(F)(F)F,"InChI=1/C15H8F6O2/c16-14(17,18)11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)23-15(19,20)21/h1-8H",C15H8F6O2,,,,,,IFWYIEORVOEKNA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.831,277-937-9,74649-87-9,"2-octyl-1,4,7,10,13-pentaoxacyclopentadecane","2-octyl-1,4,7,10,13-pentaoxacyclopentadecane",CCCCCCCCC1COCCOCCOCCOCCO1,CCCCCCCCC1COCCOCCOCCOCCO1,"InChI=1/C18H36O5/c1-2-3-4-5-6-7-8-18-17-22-14-13-20-10-9-19-11-12-21-15-16-23-18/h18H,2-17H2,1H3",C18H36O5,,,,,,SPXNAQKEKSAVLD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.834,277-941-0,74649-90-4,"2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane","2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane",CC1(C)COCCOCCOCCOCCO1,CC1(C)COCCOCCOCCOCCO1,"InChI=1/C12H24O5/c1-12(2)11-16-8-7-14-4-3-13-5-6-15-9-10-17-12/h3-11H2,1-2H3",C12H24O5,,,,,,DFAFZVPNKONQTA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.844,277-952-0,74654-07-2,2-[2-(2-methoxyethoxy)ethoxy]ethylamine,2-[2-(2-methoxyethoxy)ethoxy]ethanamine,COCCOCCOCCN,COCCOCCOCCN,"InChI=1/C7H17NO3/c1-9-4-5-11-7-6-10-3-2-8/h2-8H2,1H3",C7H17NO3,,,,,,OKUWOEKJQRUMBW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.855,277-964-6,74677-70-6,"4-[2-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1-(2-pyridyl)-1H-pyrazol-3-yl]vinyl]-N,N-diethylaniline","4-(2-{5-[4-(diethylamino)phenyl]-1-pyridin-2-yl-4,5-dihydro-1H-pyrazol-3-yl}vinyl)-N,N-diethylaniline",CCN(CC)c1ccc(\\C=C\\C2=NN(C(C2)c3ccc(cc3)N(CC)CC)c4ccccn4)cc1,CCN(CC)c1ccc(\C=C\C2=NN(C(C2)c3ccc(cc3)N(CC)CC)c4ccccn4)cc1,"InChI=1/C30H37N5/c1-5-33(6-2)27-18-13-24(14-19-27)12-17-26-23-29(35(32-26)30-11-9-10-22-31-30)25-15-20-28(21-16-25)34(7-3)8-4/h9-22,29H,5-8,23H2,1-4H3",C30H37N5,,,,,,DHQRQJGKJDBZCM-SFQUDFHCSA-N,,,,,,,,,,,
100.070.856,277-965-1,74680-07-2,N-[[(4-methylcyclohexyl)amino]carbonyl]-4-[2-[[(methyl-2-pyridylamino)carbonyl]amino]ethyl]benzenesulphonamide,N-[(4-methylcyclohexyl)carbamoyl]-4-(2-{[methyl(pyridin-2-yl)carbamoyl]amino}ethyl)benzenesulfonamide,CC1CCC(CC1)NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N(C)c3ccccn3)cc2,CC1CCC(CC1)NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N(C)c3ccccn3)cc2,"InChI=1/C23H31N5O4S/c1-17-6-10-19(11-7-17)26-22(29)27-33(31,32)20-12-8-18(9-13-20)14-16-25-23(30)28(2)21-5-3-4-15-24-21/h3-5,8-9,12-13,15,17,19H,6-7,10-11,14,16H2,1-2H3,(H,25,30)(H2,26,27,29)",C23H31N5O4S,,,,,,UIXYQZIHFQKFOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.864,277-974-0,74724-07-5,Bis(2-butoxyethyl) glutarate,bis(2-butoxyethyl) glutarate,CCCCOCCOC(=O)CCCC(=O)OCCOCCCC,CCCCOCCOC(=O)CCCC(=O)OCCOCCCC,"InChI=1/C17H32O6/c1-3-5-10-20-12-14-22-16(18)8-7-9-17(19)23-15-13-21-11-6-4-2/h3-15H2,1-2H3",C17H32O6,,,,,,BTZQCSUZZWDBIU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.868,277-978-2,74737-05-6,"3-(2,4,6-trimethoxyphenyl)propionic acid","3-(2,4,6-trimethoxyphenyl)propanoic acid",COc1cc(OC)c(CCC(=O)O)c(OC)c1,COc1cc(OC)c(CCC(=O)O)c(OC)c1,"InChI=1/C12H16O5/c1-15-8-6-10(16-2)9(4-5-12(13)14)11(7-8)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)",C12H16O5,,,,,,LKDSCRCVTKEXRX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.415,257-675-1,52125-43-6,"Ar'-isopropyl(1,1'-biphenyl)-4-yl 3-diazo-3,4-dihydro-4-oxonaphthalene-1-sulphonate","4'-isopropylbiphenyl-4-yl 3-(1lambda~5~-diazynylidene)-4-oxo-3,4-dihydronaphthalene-1-sulfonate",CC(C)c1ccc(cc1)c2ccc(OS(=O)(=O)C3=CC(=N#N)C(=O)c4ccccc34)cc2,CC(C)c1ccc(cc1)c2ccc(OS(=O)(=O)C3=CC(=N#N)C(=O)c4ccccc34)cc2,"InChI=1/C25H20N2O4S/c1-16(2)17-7-9-18(10-8-17)19-11-13-20(14-12-19)31-32(29,30)24-15-23(27-26)25(28)22-6-4-3-5-21(22)24/h3-16H,1-2H3",C25H20N2O4S,,,,,,GLDWEKXOUDLIKN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.422,257-683-5,52132-58-8,Hexadecyl chloroacetate,hexadecyl chloroacetate,CCCCCCCCCCCCCCCCOC(=O)CCl,CCCCCCCCCCCCCCCCOC(=O)CCl,"InChI=1/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(20)17-19/h2-17H2,1H3",C18H35ClO2,,,,,,XQHTWCIWGQDGOI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.425,257-686-1,52136-23-9,"2-[(4-amino-2-methoxyphenyl)amino]-5-[(2-hydroxyethyl)amino]-2,5-cyclohexa-2,5-diene-1,4-dione","2-[(4-amino-2-methoxyphenyl)amino]-5-[(2-hydroxyethyl)amino]-1,4-benzoquinone",COc1cc(N)ccc1NC2=CC(=O)C(=CC2=O)NCCO,COc1cc(N)ccc1NC2=CC(=O)C(=CC2=O)NCCO,"InChI=1/C15H17N3O4/c1-22-15-6-9(16)2-3-10(15)18-12-8-13(20)11(7-14(12)21)17-4-5-19/h2-3,6-8,17-19H,4-5,16H2,1H3",C15H17N3O4,,,,,,IWPXDARCGZFFAD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.437,257-699-2,52171-36-5,"2-[4,7-dimethoxy-5-(4-methoxycinnamoyl)benzofuran-6-yloxy]ethyldimethylammonium hydrogen oxalate","2-({4,7-dimethoxy-5-[3-(4-methoxyphenyl)acryloyl]-1-benzofuran-6-yl}oxy)-N,N-dimethylethanaminium hydrogen oxalate",COc1ccc(\\C=C\\C(=O)c2c(OC)c3ccoc3c(OC)c2OCC[NH+](C)C)cc1.[O-]C(=O)C(=O)[O-],COc1ccc(\C=C\C(=O)c2c(OC)c3ccoc3c(OC)c2OCC[NH+](C)C)cc1.[O-]C(=O)C(=O)[O-],"InChI=1/C24H27NO6.C2H2O4/c1-25(2)13-15-31-23-20(19(26)11-8-16-6-9-17(27-3)10-7-16)21(28-4)18-12-14-30-22(18)24(23)29-5;3-1(4)2(5)6/h6-12,14H,13,15H2,1-5H3;(H,3,4)(H,5,6)/p-1",C24H27NO6.C2H2O4,,,,,,QEBWTEHKJYHECW-YGCVIUNWSA-M,,,,,,,,,,,
100.052.441,257-703-2,52176-13-3,"5-bromo-1H,5H-pyrimidine-4,6-dione","5-bromopyrimidine-4,6(1H,5H)-dione",BrC1C(=O)NC=NC1=O,BrC1C(=O)NC=NC1=O,"InChI=1/C4H3BrN2O2/c5-2-3(8)6-1-7-4(2)9/h1-2H,(H,6,7,8,9)",C4H3BrN2O2,,,,,,SGJYMNDTJKWWFN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.390,285-160-1,85030-36-0,"9-(2-carboxyphenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl]amino]xanthylium sulphamate","9-(2-carboxyphenyl)-3,6-bis({2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl}amino)xanthenium sulfamate",CCc1cc(Cc2nc[nH]c2C)cc(C)c1Nc3ccc4c(c5ccccc5C(=O)O)c6ccc(Nc7c(C)cc(Cc8nc[nH]c8C)cc7CC)cc6[o+]c4c3.NS(=O)(=O)[O-],CCc1cc(Cc2nc[nH]c2C)cc(C)c1Nc3ccc4c(c5ccccc5C(=O)O)c6ccc(Nc7c(C)cc(Cc8nc[nH]c8C)cc7CC)cc6[o+]c4c3.NS(=O)(=O)[O-],"InChI=1/C48H46N6O3.H3NO3S/c1-7-33-19-31(21-41-29(5)49-25-51-41)17-27(3)46(33)53-35-13-15-39-43(23-35)57-44-24-36(14-16-40(44)45(39)37-11-9-10-12-38(37)48(55)56)54-47-28(4)18-32(20-34(47)8-2)22-42-30(6)50-26-52-42;1-5(2,3)4/h9-20,23-26,53-54H,7-8,21-22H2,1-6H3,(H2-,49,50,51,52,55,56);(H3,1,2,3,4)",C48H47N6O3.H2NO3S,,,,,,GHSNXGYBHYNZBZ-UHFFFAOYSA-M,,,,,,,,,,,
100.077.400,285-171-1,85030-46-2,8-amino-5-[(2-methoxy-4-nitrophenyl)azo]-2-naphthol,8-amino-5-[(2-methoxy-4-nitrophenyl)diazenyl]-2-naphthol,COc3cc(ccc3N=Nc2ccc(N)c1cc(O)ccc12)[N+]([O-])=O,COc3cc(ccc3N=Nc2ccc(N)c1cc(O)ccc12)[N+]([O-])=O,"InChI=1/C17H14N4O4/c1-25-17-8-10(21(23)24)2-6-16(17)20-19-15-7-5-14(18)13-9-11(22)3-4-12(13)15/h2-9,22H,18H2,1H3",C17H14N4O4,,,,,,PQAXKPIDVBMZJN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.410,285-182-1,85030-56-4,"3,6,9,12-tetraoxatridecylamine","2,5,8,11-tetraoxatridecan-13-amine",COCCOCCOCCOCCN,COCCOCCOCCOCCN,"InChI=1/C9H21NO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-10H2,1H3",C9H21NO4,,,,,,DQTQYVYXIOQYGN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.411,285-183-7,85030-57-5,2-[2-(2-butoxyethoxy)ethoxy]ethylamine,2-[2-(2-butoxyethoxy)ethoxy]ethanamine,CCCCOCCOCCOCCN,CCCCOCCOCCOCCN,"InChI=1/C10H23NO3/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h2-11H2,1H3",C10H23NO3,,,,,,LXLXYIZJFSMUMX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.532,279-809-8,81741-29-9,"2,3,5-tris(piperidinomethyl)hydroquinone","2,3,5-tris(piperidin-1-ylmethyl)benzene-1,4-diol",Oc1cc(CN2CCCCC2)c(O)c(CN3CCCCC3)c1CN4CCCCC4,Oc1cc(CN2CCCCC2)c(O)c(CN3CCCCC3)c1CN4CCCCC4,"InChI=1/C24H39N3O2/c28-23-16-20(17-25-10-4-1-5-11-25)24(29)22(19-27-14-8-3-9-15-27)21(23)18-26-12-6-2-7-13-26/h16,28-29H,1-15,17-19H2",C24H39N3O2,,,,,,TWOMLFAUCLQOOH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.534,279-811-9,81761-18-4,"N-(2,6-diethylphenyl)-3-oxobutyramide","N-(2,6-diethylphenyl)-3-oxobutanamide",CCc1cccc(CC)c1NC(=O)CC(=O)C,CCc1cccc(CC)c1NC(=O)CC(=O)C,"InChI=1/C14H19NO2/c1-4-11-7-6-8-12(5-2)14(11)15-13(17)9-10(3)16/h6-8H,4-5,9H2,1-3H3,(H,15,17)",C14H19NO2,,,,,,KXVPBMCDXONQFU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.539,279-817-1,81783-01-9,"2,4,4,7-tetramethylnona-6,8-dien-3-one oxime","2,4,4,7-tetramethylnona-6,8-dien-3-one oxime",CC(=CCC(C)(C)C(=NO)C(C)C)C=C,CC(=CCC(C)(C)C(=NO)C(C)C)C=C,"InChI=1/C13H23NO/c1-7-11(4)8-9-13(5,6)12(14-15)10(2)3/h7-8,10,15H,1,9H2,2-6H3",C13H23NO,,,,,,MEJYWDUBOCZFFS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.541,279-819-2,81786-70-1,"2,3-dimethyl-2-(1,2,2-trimethylpropyl)oxirane","2,3-dimethyl-2-(1,2,2-trimethylpropyl)oxirane",CC(C(C)(C)C)C1(C)OC1C,CC(C(C)(C)C)C1(C)OC1C,"InChI=1/C10H20O/c1-7(9(3,4)5)10(6)8(2)11-10/h7-8H,1-6H3",C10H20O,,,,,,UUWFHLAPSVVOMV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.546,279-825-5,81786-75-6,"3,5,6,6-tetramethyl-4-methyleneheptan-2-one","3,5,6,6-tetramethyl-4-methyleneheptan-2-one",CC(C(=O)C)C(=C)C(C)C(C)(C)C,CC(C(=O)C)C(=C)C(C)C(C)(C)C,"InChI=1/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h9-10H,1H2,2-7H3",C12H22O,,,,,,FRUPGGSBENIUTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.547,279-826-0,81786-78-9,"4,5,6,7,7-pentamethyloct-4-en-3-one","4,5,6,7,7-pentamethyloct-4-en-3-one",CCC(=O)C(C)=C(C)C(C)C(C)(C)C,CCC(=O)C(C)=C(C)C(C)C(C)(C)C,"InChI=1/C13H24O/c1-8-12(14)10(3)9(2)11(4)13(5,6)7/h11H,8H2,1-7H3",C13H24O,,,,,,RJMPLNRTACPFQN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.555,279-834-4,81831-81-4,"[1-(1,1-dimethylethyl)-4-hydroxy-4-phenylpiperidin-3-yl] phenyl ketone",(1-tert-butyl-4-hydroxy-4-phenylpiperidin-3-yl)(phenyl)methanone,CC(C)(C)N1CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3,CC(C)(C)N1CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3,"InChI=1/C22H27NO2/c1-21(2,3)23-15-14-22(25,18-12-8-5-9-13-18)19(16-23)20(24)17-10-6-4-7-11-17/h4-13,19,25H,14-16H2,1-3H3",C22H27NO2,,,,,,KXNGXWRDUHMYHK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.556,279-836-5,81836-13-7,"(3aa,4a,6a,7a,7aa)-3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-4,7-methano-1H-inden-6-yl acetate","3-methyl-5-methylene-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate",CC(=O)O[C@H]1[C@H]2C[C@H]([C@@H]3[C@H]2CC=C3C)C1=C,CC(=O)O[C@H]1[C@H]2C[C@H]([C@@H]3[C@H]2CC=C3C)C1=C,"InChI=1/C14H18O2/c1-7-4-5-10-12-6-11(13(7)10)8(2)14(12)16-9(3)15/h4,10-14H,2,5-6H2,1,3H3",C14H18O2,,,,,,WVQDRUDZFCGZPH-HTVCTNPSSA-N,,,,,,,,,,,
100.072.557,279-837-0,81836-17-1,"(3aa,4a,6a,7a,7aa)-3a,4,5,6,7,7a-hexahydro-2-methyl-5-methylene-4,7-methano-1H-inden-6-yl acetate","2-methyl-5-methylene-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate",CC(=O)O[C@H]1[C@H]2C[C@H]([C@H]3C=C(C)C[C@@H]23)C1=C,CC(=O)O[C@H]1[C@H]2C[C@H]([C@H]3C=C(C)C[C@@H]23)C1=C,"InChI=1/C14H18O2/c1-7-4-11-10-6-13(12(11)5-7)14(8(10)2)16-9(3)15/h4,10-14H,2,5-6H2,1,3H3",C14H18O2,,,,,,WRWCOPOETDQPAY-MQLXINIDSA-N,,,,,,,,,,,
100.072.563,279-843-3,81892-55-9,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium hydroxide","2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium hydroxide",[OH-].COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[OH-].COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H23N3O.H2O/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;/h5-12,14H,13H2,1-4H3;1H2",C20H24N3O.HO,,,,,,WSHZZXLEIDZXNV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.807,277-911-7,74531-62-7,2-methoxyethyl hydroxyacetate,2-methoxyethyl glycolate,COCCOC(=O)CO,COCCOC(=O)CO,"InChI=1/C5H10O4/c1-8-2-3-9-5(7)4-6/h6H,2-4H2,1H3",C5H10O4,,,,,,IVHPEUVYKMPFGU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.816,277-921-1,74549-17-0,"1,1-bis(allyloxy)pentane","1,1-bis(allyloxy)pentane",CCCCC(OCC=C)OCC=C,CCCCC(OCC=C)OCC=C,"InChI=1/C11H20O2/c1-4-7-8-11(12-9-5-2)13-10-6-3/h5-6,11H,2-4,7-10H2,1H3",C11H20O2,,,,,,KWRBYSVDENXDJB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.818,277-923-2,74563-64-7,"3,7,11,15-tetramethylhexadecane-1,2,3-triol","3,7,11,15-tetramethylhexadecane-1,2,3-triol",CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO,CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO,"InChI=1/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3",C20H42O3,,,,,,CGIHFIDULQUVJG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.828,277-934-2,74592-61-3,Trimethylammonium 4-chloro-o-tolyloxyacetate,"N,N-dimethylmethanaminium (4-chloro-2-methylphenoxy)acetate",C[NH+](C)C.Cc1cc(Cl)ccc1OCC(=O)[O-],C[NH+](C)C.Cc1cc(Cl)ccc1OCC(=O)[O-],"InChI=1/C9H9ClO3.C3H9N/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;1-4(2)3/h2-4H,5H2,1H3,(H,11,12);1-3H3",C9H9ClO3.C3H9N,,,,,,FFYSVPAWEKVDHM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.829,277-935-8,74592-66-8,"3,5,5-trimethylhexyl 2,4,5-trichlorophenoxyacetate","3,5,5-trimethylhexyl (2,4,5-trichlorophenoxy)acetate",CC(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC(C)(C)C,CC(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC(C)(C)C,"InChI=1/C17H23Cl3O3/c1-11(9-17(2,3)4)5-6-22-16(21)10-23-15-8-13(19)12(18)7-14(15)20/h7-8,11H,5-6,9-10H2,1-4H3",C17H23Cl3O3,,,,,,OZVDVFHHRMNCDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.869,255-975-7,42863-96-7,"Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-2-(heptadecenyl)-4,5-dihydro-1H-imidazolium hydroxide",-,[Na+].[Na+].[OH-].OC(=O)C[N+]1(CCOCC(O)=O)CC\\N=C1\\C=CCCCCCCCCCCCCCCC,[Na+].[Na+].[OH-].OC(=O)C[N+]1(CCOCC(O)=O)CC\N=C1\C=CCCCCCCCCCCCCCCC,"InChI=1/C26H46N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-18-19-28(24,22-25(29)30)20-21-33-23-26(31)32;;;/h16-17H,2-15,18-23H2,1H3,(H-,29,30,31,32);;;1H2/q;2*+1;",C26H47N2O5.HO.2Na,,,,,,QPVGIQCAECSPIC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.871,255-977-8,42867-30-1,"1H-pyrrole-2,5-dione, silver(1+) salt",-,[Ag+].O=C1NC(=O)C=C1,[Ag+].O=C1NC(=O)C=C1,"InChI=1/C4H3NO2.Ag/c6-3-1-2-4(7)5-3;/h1-2H,(H,5,6,7);/q;+1",C4H3NO2.Ag,,,,,,PZAKGHDKLNFRTD-UHFFFAOYSA-N,,,,,,,,,,,
100.052.382,257-639-5,52070-49-2,"8-ethyl-5,8-dihydro-5-oxo-2-(piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid hydrochloride","8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid hydrochloride",Cl.CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,Cl.CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,"InChI=1/C14H17N5O3.ClH/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;/h7-8,15H,2-6H2,1H3,(H,21,22);1H",C14H17N5O3.xClH,,,,,,LNIRRSUFRIHCQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.386,257-643-7,52079-30-8,"(2a,6a,11R*)-(±)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol","6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol",CC1C2Cc3ccc(O)cc3C1(C)CCN2,CC1C2Cc3ccc(O)cc3C1(C)CCN2,"InChI=1/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3",C14H19NO,,,,,,DXESFJJJWBHLJX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.395,257-653-1,52085-70-8,D-glycero-D-ido-heptono-d-lactone,"6-(1,2-dihydroxyethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-one (non-preferred name)",OCC(O)C1OC(=O)C(O)C(O)C1O,OCC(O)C1OC(=O)C(O)C(O)C1O,"InChI=1/C7H12O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-6,8-12H,1H2",C7H12O7,,,,,,SUNCWTXGGFSVJR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.398,257-656-8,52090-18-3,(3-bromopropyl)triethoxysilane,(3-bromopropyl)(triethoxy)silane,CCO[Si](CCCBr)(OCC)OCC,CCO[Si](CCCBr)(OCC)OCC,"InChI=1/C9H21BrO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3",C9H21BrO3Si,,,,,,JMFBXUMHVSZUKY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.400,257-658-9,52094-70-9,"7,6-benzo-1,3-diazaspiro(4,5)decane-2,4-dione","3',4'-dihydro-1'H,2H,5H-spiro[imidazolidine-4,2'-naphthalene]-2,5-dione",O=C1NC(=O)C2(CCc3ccccc3C2)N1,O=C1NC(=O)C2(CCc3ccccc3C2)N1,"InChI=1/C12H12N2O2/c15-10-12(14-11(16)13-10)6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,13,14,15,16)",C12H12N2O2,,,,,,ZWYUGDUPLSGYSK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.401,257-659-4,52097-76-4,N-(2-oxothietan-3-yl)acetamide,N-(2-oxothietan-3-yl)acetamide,CC(=O)NC1CSC1=O,CC(=O)NC1CSC1=O,"InChI=1/C5H7NO2S/c1-3(7)6-4-2-9-5(4)8/h4H,2H2,1H3,(H,6,7)",C5H7NO2S,,,,,,ARFPSLYPGAOCDK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.403,257-662-0,52101-01-6,Magnesium DL-aspartate,magnesium 2-aminosuccinate,[Mg+2].N[C@@H](CC(=O)[O-])C(=O)[O-],[Mg+2].N[C@@H](CC(=O)[O-])C(=O)[O-],"InChI=1/C4H7NO4.Mg/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2",C4H7NO4.xMg,,,,,,NFFJLMKHRCXLJO-DKWTVANSSA-L,,,,,,,,,,,
100.052.406,257-665-7,52108-54-0,"Phosphoric acid, 2-ethylhexyl ester, zinc salt",zinc 2-ethylhexyl phosphate,[Zn+2].CCCCC(CC)COP(=O)([O-])[O-],[Zn+2].CCCCC(CC)COP(=O)([O-])[O-],"InChI=1/C8H19O4P.Zn/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+2/p-2",-,,,,,,JQBWIGPYQPOAJZ-UHFFFAOYSA-L,,,,,,,,,,,
100.075.019,282-547-7,84255-00-5,1-benzyl-4-[(2-chlorophenyl)amino]piperidine-4-carbonitrile,1-benzyl-4-[(2-chlorophenyl)amino]piperidine-4-carbonitrile,Clc1ccccc1NC2(CCN(Cc3ccccc3)CC2)C#N,Clc1ccccc1NC2(CCN(Cc3ccccc3)CC2)C#N,"InChI=1/C19H20ClN3/c20-17-8-4-5-9-18(17)22-19(15-21)10-12-23(13-11-19)14-16-6-2-1-3-7-16/h1-9,22H,10-14H2",C19H20ClN3,,,,,,TVNMBSRPUFFJBV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.306,278-459-3,76420-72-9,Enalaprilat,N-(1-carboxy-3-phenylpropyl)alanyl-L-proline dihydrate,O.O.C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O,O.O.C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O,"InChI=1/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2",C18H24N2O5,,,,,,MZYVOFLIPYDBGD-MLZQUWKJSA-N,,,,,,,,,,,
100.073.136,280-472-4,83524-75-8,"2,9-bis(p-methoxybenzyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(4-methoxybenzyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",COc1ccc(CN2C(=O)c3ccc4c5ccc6C(=O)N(Cc7ccc(OC)cc7)C(=O)c8ccc(c9ccc(C2=O)c3c49)c5c68)cc1,COc1ccc(CN2C(=O)c3ccc4c5ccc6C(=O)N(Cc7ccc(OC)cc7)C(=O)c8ccc(c9ccc(C2=O)c3c49)c5c68)cc1,"InChI=1/C40H26N2O6/c1-47-23-7-3-21(4-8-23)19-41-37(43)29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)20-22-5-9-24(48-2)10-6-22)18-14-28(34(27)36)26-12-16-30(38(41)44)35(29)33(25)26/h3-18H,19-20H2,1-2H3",C40H26N2O6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10319,https://echa.europa.eu/substance-information/-/substanceinfo/100.073.136,LQDAMBYDGRGJGA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.139,280-476-6,83542-66-9,"3,5-dichloro-N-(3,4-dichlorophenyl)-2-[methyl(methylsulphonyl)amino]benzamide","3,5-dichloro-N-(3,4-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide",CN(c1c(Cl)cc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)C,CN(c1c(Cl)cc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)C,"InChI=1/C15H12Cl4N2O3S/c1-21(25(2,23)24)14-10(5-8(16)6-13(14)19)15(22)20-9-3-4-11(17)12(18)7-9/h3-7H,1-2H3,(H,20,22)",C15H12Cl4N2O3S,,,,,,SFODNSZPSBNGLW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.140,280-477-1,83543-70-8,"4',5'-dihydro-4-isopropyl-1-methylspiro[bicyclo[2.2.2]oct-5-ene-2,3'(2'H)-furan]","4-isopropyl-1-methyl-4',5'-dihydrospiro[bicyclo[2.2.2]oct-5-ene-2,3'-furan]",CC(C)C12CCC(C)(C=C1)C3(CCOC3)C2,CC(C)C12CCC(C)(C=C1)C3(CCOC3)C2,"InChI=1/C15H24O/c1-12(2)14-6-4-13(3,5-7-14)15(10-14)8-9-16-11-15/h4,6,12H,5,7-11H2,1-3H3",C15H24O,,,,,,SVUNYCAVSBQRAF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.141,280-478-7,83543-71-9,"4',5'-dihydro-1-isopropyl-4-methylspiro[bicyclo[2.2.2]oct-5-ene-2,3'(2'H)-furan]","1-isopropyl-4-methyl-4',5'-dihydrospiro[bicyclo[2.2.2]oct-5-ene-2,3'-furan]",CC(C)C12CCC(C)(CC13CCOC3)C=C2,CC(C)C12CCC(C)(CC13CCOC3)C=C2,"InChI=1/C15H24O/c1-12(2)15-6-4-13(3,5-7-15)10-14(15)8-9-16-11-14/h4,6,12H,5,7-11H2,1-3H3",C15H24O,,,,,,BUXNGGVQRWMVGB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.144,280-481-3,83562-69-0,Disodium 6-amino-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 6-amino-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O,"InChI=1/C22H17N5O7S2.2Na/c23-14-2-1-13-11-20(36(32,33)34)21(22(28)19(13)12-14)27-26-16-5-3-15(4-6-16)24-25-17-7-9-18(10-8-17)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H17N5O7S2.2Na,,,,,,LPQMMPOQYQCZNV-UHFFFAOYSA-L,,,,,,,,,,,
100.073.146,280-483-4,83562-73-6,"Disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bis(benzenesulphonate)","disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)didiazene-2,1-diyl]dibenzenesulfonate",[Na+].[Na+].Oc2cc(O)c(cc2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc3ccc(cc3)S([O-])(=O)=O,[Na+].[Na+].Oc2cc(O)c(cc2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc3ccc(cc3)S([O-])(=O)=O,"InChI=1/C18H14N4O8S2.2Na/c23-17-10-18(24)16(22-20-12-3-7-14(8-4-12)32(28,29)30)9-15(17)21-19-11-1-5-13(6-2-11)31(25,26)27;;/h1-10,23-24H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C18H14N4O8S2.2Na,,,,,,SHWQEPOSCFVKMT-UHFFFAOYSA-L,,,,,,,,,,,
100.073.159,280-498-6,83578-94-3,"1,8-diamino-2,7-dichloro-4,5-bis[(4-methylphenyl)amino]anthraquinone","1,8-diamino-2,7-dichloro-4,5-bis[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2cc(Cl)c(N)c3C(=O)c4c(N)c(Cl)cc(Nc5ccc(C)cc5)c4C(=O)c23)cc1,Cc1ccc(Nc2cc(Cl)c(N)c3C(=O)c4c(N)c(Cl)cc(Nc5ccc(C)cc5)c4C(=O)c23)cc1,"InChI=1/C28H22Cl2N4O2/c1-13-3-7-15(8-4-13)33-19-11-17(29)25(31)23-21(19)27(35)22-20(34-16-9-5-14(2)6-10-16)12-18(30)26(32)24(22)28(23)36/h3-12,33-34H,31-32H2,1-2H3",C28H22Cl2N4O2,,,,,,WEDWGYBEXOZUHF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.167,280-506-8,83592-03-4,p-[[p-[ethyl(2-hydroxyethyl)amino]phenyl]azo]benzenesulphonamide,4-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)benzenesulfonamide,CCN(CCO)c2ccc(N=Nc1ccc(cc1)S(N)(=O)=O)cc2,CCN(CCO)c2ccc(N=Nc1ccc(cc1)S(N)(=O)=O)cc2,"InChI=1/C16H20N4O3S/c1-2-20(11-12-21)15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)24(17,22)23/h3-10,21H,2,11-12H2,1H3,(H2,17,22,23)",C16H20N4O3S,,,,,,ZIBVZNAFNFSEKY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.021,282-549-8,84255-02-7,4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid,1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C(=O)O)c3ccccc3,Cc1ccc(cc1)S(=O)(=O)N2CCC(CC2)(C(=O)O)c3ccccc3,"InChI=1/C19H21NO4S/c1-15-7-9-17(10-8-15)25(23,24)20-13-11-19(12-14-20,18(21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22)",C19H21NO4S,,,,,,RUPQNAVADOVYKW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.445,257-707-4,52179-09-6,Ethyl 2-(4-vinylphenoxy)isobutyrate,ethyl 2-methyl-2-(4-vinylphenoxy)propanoate,CCOC(=O)C(C)(C)Oc1ccc(C=C)cc1,CCOC(=O)C(C)(C)Oc1ccc(C=C)cc1,"InChI=1/C14H18O3/c1-5-11-7-9-12(10-8-11)17-14(3,4)13(15)16-6-2/h5,7-10H,1,6H2,2-4H3",C14H18O3,,,,,,BYZWKIOOOBNGRO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.450,257-713-7,52182-15-7,Ethyl diphenylglycolate,ethyl hydroxy(diphenyl)acetate,CCOC(=O)C(O)(c1ccccc1)c2ccccc2,CCOC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3",C16H16O3,,,,,,AIPVNQQMYPWQSX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.451,257-714-2,52183-82-1,Methyl DL-prolinate,methyl L-prolinate,COC(=O)[C@@H]1CCCN1,COC(=O)[C@@H]1CCCN1,"InChI=1/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3",C6H11NO2,,,,,,BLWYXBNNBYXPPL-YFKPBYRVSA-N,,,,,,,,,,,
100.052.453,257-716-3,52184-19-7,"6-[(2-nitrophenyl)azo]-2,4-di-tert-pentylphenol","2,4-bis(1,1-dimethylpropyl)-6-[(2-nitrophenyl)diazenyl]phenol",Oc2c(cc(cc2N=Nc1ccccc1[N+]([O-])=O)C(C)(C)CC)C(C)(C)CC,Oc2c(cc(cc2N=Nc1ccccc1[N+]([O-])=O)C(C)(C)CC)C(C)(C)CC,"InChI=1/C22H29N3O3/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)18(14-15)24-23-17-11-9-10-12-19(17)25(27)28/h9-14,26H,7-8H2,1-6H3",C22H29N3O3,,,,,,HHUOYYNHGMRSIF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.019,278-144-0,75232-44-9,N-ethylcarbazole-3-carbaldehyde (phenylmethylhydrazone),3-(benzylcarbonohydrazonoyl)-9-ethyl-9H-carbazole,CCn4c1ccccc1c3cc(C=NNCc2ccccc2)ccc34,CCn4c1ccccc1c3cc(C=NNCc2ccccc2)ccc34,"InChI=1/C22H21N3/c1-2-25-21-11-7-6-10-19(21)20-14-18(12-13-22(20)25)16-24-23-15-17-8-4-3-5-9-17/h3-14,16,23H,2,15H2,1H3",C22H21N3,,,,,,SXMRCYPHDKXNFR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.026,278-151-9,75247-19-7,"Potassium [[chloroacetamido]methyl][[2-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]cyclohexyl]methyl]benzenesulphonate","potassium 2-{[(chloroacetyl)amino]methyl}-3-[(2-{[4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}cyclohexyl)methyl]benzenesulfonate",[K+].[O-]S(=O)(=O)c1cccc(CC2CCCCC2Nc3ccc(NC4CCCCC4)c5C(=O)c6ccccc6C(=O)c35)c1CNC(=O)CCl,[K+].[O-]S(=O)(=O)c1cccc(CC2CCCCC2Nc3ccc(NC4CCCCC4)c5C(=O)c6ccccc6C(=O)c35)c1CNC(=O)CCl,"InChI=1/C36H40ClN3O6S.K/c37-20-32(41)38-21-27-22(10-8-16-31(27)47(44,45)46)19-23-9-4-7-15-28(23)40-30-18-17-29(39-24-11-2-1-3-12-24)33-34(30)36(43)26-14-6-5-13-25(26)35(33)42;/h5-6,8,10,13-14,16-18,23-24,28,39-40H,1-4,7,9,11-12,15,19-21H2,(H,38,41)(H,44,45,46);/q;+1/p-1",C36H40ClN3O6S.K,,,,,,KFUYAODWRVDHGU-UHFFFAOYSA-M,,,,,,,,,,,
100.071.032,278-158-7,75268-69-8,"Hexasodium 8,8'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bisnaphthalene-2,3,6-trisulphonate","hexasodium 8-({5-methoxy-4-[({2-methoxy-5-methyl-4-[(3,6,7-trisulfonato-1-naphthyl)diazenyl]phenyl}carbamoyl)amino]-2-methylphenyl}diazenyl)naphthalene-2,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1cc(c(cc12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3cc(c(cc34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1cc(c(cc12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3cc(c(cc34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,"InChI=1/C37H32N6O21S6.6Na/c1-17-5-29(31(63-3)15-25(17)40-42-27-11-21(65(45,46)47)7-19-9-33(67(51,52)53)35(13-23(19)27)69(57,58)59)38-37(44)39-30-6-18(2)26(16-32(30)64-4)41-43-28-12-22(66(48,49)50)8-20-10-34(68(54,55)56)36(14-24(20)28)70(60,61)62;;;;;;/h5-16H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6",C37H32N6O21S6.6Na,,,,,,GXPHIYDSBYLRLK-UHFFFAOYSA-H,,,,,,,,,,,
100.046.378,251-032-9,32425-63-1,"4-[3-[3-carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl]allylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-{3-[3-carboxy-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]prop-1-en-1-yl}-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1=CC=Cc2c(O)n(nc2C(=O)O)c3ccc(cc3)S(=O)(=O)O)c4ccc(cc4)S(=O)(=O)O,OC(=O)C1=NN(C(=O)C1=CC=Cc2c(O)n(nc2C(=O)O)c3ccc(cc3)S(=O)(=O)O)c4ccc(cc4)S(=O)(=O)O,"InChI=1/C23H16N4O12S2/c28-20-16(18(22(30)31)24-26(20)12-4-8-14(9-5-12)40(34,35)36)2-1-3-17-19(23(32)33)25-27(21(17)29)13-6-10-15(11-7-13)41(37,38)39/h1-11,28H,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)",C23H16N4O12S2,,,,,,DUAPFKKDEHBNEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.379,251-033-4,32426-10-1,Benzyldidecylmethylammonium chloride,N-benzyl-N-decyl-N-methyldecan-1-aminium chloride,[Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)Cc1ccccc1,[Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)Cc1ccccc1,"InChI=1/C28H52N.ClH/c1-4-6-8-10-12-14-16-21-25-29(3,27-28-23-19-18-20-24-28)26-22-17-15-13-11-9-7-5-2;/h18-20,23-24H,4-17,21-22,25-27H2,1-3H3;1H/q+1;/p-1",C28H52N.Cl,,,,,,MQWVSQIVACGLLU-UHFFFAOYSA-M,,,,,,,,,,,
100.046.383,251-038-1,32432-45-4,2-[(4-chloro-2-nitrophenyl)azo]-N-(4-chloro-o-tolyl)-3-oxobutyramide,N-(4-chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxobutanamide,Clc2cc(C)c(NC(=O)C(N=Nc1ccc(Cl)cc1[N+]([O-])=O)C(C)=O)cc2,Clc2cc(C)c(NC(=O)C(N=Nc1ccc(Cl)cc1[N+]([O-])=O)C(C)=O)cc2,"InChI=1/C17H14Cl2N4O4/c1-9-7-11(18)3-5-13(9)20-17(25)16(10(2)24)22-21-14-6-4-12(19)8-15(14)23(26)27/h3-8,16H,1-2H3,(H,20,25)",C17H14Cl2N4O4,,,,,,WLFKZMHSYFTYSW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.385,251-040-2,32435-46-4,Bis(methacryloyloxyethyl) hydrogen phosphate,"3-hydroxy-1,5,8-trimethyl-3-oxido-7-oxo-2,4,6-trioxa-3-phosphanon-8-en-1-yl methacrylate (non-preferred name)",CC(OC(=O)C(=C)C)OP(=O)(O)OC(C)OC(=O)C(=C)C,CC(OC(=O)C(=C)C)OP(=O)(O)OC(C)OC(=O)C(=C)C,"InChI=1/C12H19O8P/c1-7(2)11(13)17-9(5)19-21(15,16)20-10(6)18-12(14)8(3)4/h9-10H,1,3H2,2,4-6H3,(H,15,16)",C12H19O8P,,,,,,VGFGZTCKWPWPAT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.567,279-848-0,81907-32-6,Zinc methyl phosphate,zinc methyl phosphate,[Zn+2].COP(=O)([O-])[O-],[Zn+2].COP(=O)([O-])[O-],"InChI=1/CH5O4P.Zn/c1-5-6(2,3)4;/h1H3,(H2,2,3,4);/q;+2/p-2",CH5O4P.Zn,,,,,,MXJLYXUTVHHODQ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.568,279-849-6,81910-31-8,"17,21-dihydroxypregn-4-ene-3,11,20-trione 21-palmitate","17-hydroxy-3,11,20-trioxopregn-4-en-21-yl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C37H58O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h24,29-30,34,42H,4-23,25-26H2,1-3H3",C37H58O6,,,,,,SGPYSHWNKTXSMU-DEOBSOAFSA-N,,,,,,,,,,,
100.072.570,279-851-7,81921-77-9,"Bis[5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] tetrachlorozincate(2-)","bis[5-(diisopropylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium] tetrachlorozincate(2-)",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C(C)C)C(C)C,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C(C)C)C(C)C,"InChI=1/2C17H27N6S.4ClH.Zn/c2*1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;;;;;/h2*8-13H,1-7H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H27N6S.Cl4Zn/c2*1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-5(2,3)4/h2*8-13H,1-7H3;/q2*+1;-2",C17H27N6S.1/2Cl4Zn,,,,,,JNLUABNCEMVGSQ-UHFFFAOYSA-J,,,,,,,,,,,
100.072.573,279-854-3,81945-73-5,1-hydroxy-1H-pyrazole,1H-pyrazol-1-ol,On1cccn1,On1cccn1,"InChI=1/C3H4N2O/c6-5-3-1-2-4-5/h1-3,6H",C3H4N2O,,,,,,QVCIPIYWPSPRFA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.254,268-500-3,68109-88-6,"Ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate","ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",O=C(O[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCC)CCCCCCCC)C=CC(=O)OCC,O=C(O[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCC)CCCCCCCC)C=CC(=O)OCC,"InChI=1/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/rC28H48O8Sn/c1-5-9-11-13-15-17-23-37(24-18-16-14-12-10-6-2,35-27(31)21-19-25(29)33-7-3)36-28(32)22-20-26(30)34-8-4/h19-22H,5-18,23-24H2,1-4H3",C28H48O8Sn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15969,https://echa.europa.eu/substance-information/-/substanceinfo/100.062.254,DRZLVZYYZKVLCK-UHFFFAOYSA-L,,,,,,,,,,,
100.062.266,268-513-4,68110-25-8,"Tetrasodium hydrogen 4-amino-3-[(2,5-disulphonatophenyl)azo]-5-hydroxy-6-[(m-phosphonatophenyl)azo]naphthalene-2,7-disulphonate",-,[H+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(N=Nc1c(N)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2cccc(c2)P([O-])([O-])=O)c3O)S([O-])(=O)=O)c(cc4)S([O-])(=O)=O,[H+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(N=Nc1c(N)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2cccc(c2)P([O-])([O-])=O)c3O)S([O-])(=O)=O)c(cc4)S([O-])(=O)=O,"InChI=1/C22H18N5O16PS4.4Na.H2/c23-19-18-10(7-17(48(41,42)43)21(22(18)28)27-24-11-2-1-3-12(8-11)44(29,30)31)6-16(47(38,39)40)20(19)26-25-14-9-13(45(32,33)34)4-5-15(14)46(35,36)37;;;;;/h1-9,28H,23H2,(H2,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;;;1H/q;5*+1/p-6",C22H18N5O16PS4.4Na,,,,,,ARWCRWXRAZSPGO-UHFFFAOYSA-I,,,,,,,,,,,
100.062.269,268-517-6,68110-28-1,Sodium (Z)-5-methoxy-2-(octadec-9-enylamino)benzenesulphonate,sodium 5-methoxy-2-(octadec-9-en-1-ylamino)benzenesulfonate,[Na+].CCCCCCCC\\C=C/CCCCCCCCNc1ccc(OC)cc1S(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCCNc1ccc(OC)cc1S(=O)(=O)[O-],"InChI=1/C25H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-24-20-19-23(30-2)22-25(24)31(27,28)29;/h10-11,19-20,22,26H,3-9,12-18,21H2,1-2H3,(H,27,28,29);/q;+1/p-1",C25H43NO4S.Na,,,,,,ZVZOAVRMXIPVPL-GMFCBQQYSA-M,,,,,,,,,,,
100.062.272,268-520-2,68110-31-6,"Hexasodium 4-amino-3,6-bis[[4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","hexasodium 4-amino-3,6-bis{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,"InChI=1/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6",C40H29Cl2N15O19S6.6Na,,,,,,WOSYRUIVNDCHHH-UHFFFAOYSA-H,,,,,,,,,,,
100.062.287,268-537-5,68123-06-8,"N-[3-(octyloxy)propyl]propane-1,3-diamine","N-[3-(octyloxy)propyl]propane-1,3-diamine",CCCCCCCCOCCCNCCCN,CCCCCCCCOCCCNCCCN,"InChI=1/C14H32N2O/c1-2-3-4-5-6-7-13-17-14-9-12-16-11-8-10-15/h16H,2-15H2,1H3",C14H32N2O,,,,,,PLVXZTCCPYSWNN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.288,268-538-0,68123-07-9,Trimethyl[3-(tridecyloxy)propyl]ammonium chloride,"N,N,N-trimethyl-3-(tridecyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCOCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCOCCC[N+](C)(C)C,"InChI=1/C19H42NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1",C19H42NO.Cl,,,,,,XYEYOAYIWLFMHH-UHFFFAOYSA-M,,,,,,,,,,,
100.052.410,257-669-9,52118-12-4,Iron phthalate (2:3),iron phthalate (2:3),[Fe+3].[Fe+3].O=C([O-])C=1/C=C\\C=C/C=1C([O-])=O.[O-]C(=O)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C([O-])=O,[Fe+3].[Fe+3].O=C([O-])C=1/C=C\C=C/C=1C([O-])=O.[O-]C(=O)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C([O-])=O,"InChI=1/3C8H6O4.2Fe/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;;/h3*1-4H,(H,9,10)(H,11,12);;/q;;;2*+3/p-6",C8H6O4.2/3Fe,,,,,,TZUOAFAFVLCVOL-UHFFFAOYSA-H,,,,,,,,,,,
100.071.000,278-123-6,75202-24-3,"2-(4-chloro-2-tetradecylphenoxy)-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide","2-(4-chloro-2-tetradecylphenoxy)-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide",CCCCCCCCCCCCCCc1cc(Cl)ccc1OCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O,CCCCCCCCCCCCCCc1cc(Cl)ccc1OCC(=O)Nc2cc(Cl)c(C)c(Cl)c2O,"InChI=1/C29H40Cl3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-18-23(30)16-17-26(22)36-20-27(34)33-25-19-24(31)21(2)28(32)29(25)35/h16-19,35H,3-15,20H2,1-2H3,(H,33,34)",C29H40Cl3NO3,,,,,,MZNYXIHEQCYBRR-UHFFFAOYSA-N,,,,,,,,,,,
100.047.208,251-945-2,34332-97-3,Bis(p-nonylphenyl) hydrogen phosphate,bis(4-nonylphenyl) hydrogen phosphate,CCCCCCCCCc1ccc(OP(=O)(O)Oc2ccc(CCCCCCCCC)cc2)cc1,CCCCCCCCCc1ccc(OP(=O)(O)Oc2ccc(CCCCCCCCC)cc2)cc1,"InChI=1/C30H47O4P/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)33-35(31,32)34-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26H,3-18H2,1-2H3,(H,31,32)",C30H47O4P,,,,,,TUBPQDOOWCNEEE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.223,251-962-5,34362-41-9,"a,ß-dimethylcyclohexylpropyl acetate","1,2-bis(1-methylcyclohexyl)propyl acetate",CC(C(OC(=O)C)C1(C)CCCCC1)C2(C)CCCCC2,CC(C(OC(=O)C)C1(C)CCCCC1)C2(C)CCCCC2,"InChI=1/C19H34O2/c1-15(18(3)11-7-5-8-12-18)17(21-16(2)20)19(4)13-9-6-10-14-19/h15,17H,5-14H2,1-4H3",C13H24O2,,,,,,ZVLCGJBQYWAOAH-UHFFFAOYSA-N,,,,,,,,,,,
100.047.224,251-963-0,34362-49-7,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C19H7F29O2/c1-2-5(49)50-4-3-6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)48/h2H,1,3-4H2",C19H7F29O2,,,,,,KLOHTAIHCCMZIL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.226,251-965-1,34364-42-6,(1-methyl-1-phenylethyl)phenyl diphenyl phosphate,2-(1-methyl-1-phenylethyl)phenyl diphenyl phosphate,CC(C)(c1ccccc1)c2ccccc2OP(=O)(Oc3ccccc3)Oc4ccccc4,CC(C)(c1ccccc1)c2ccccc2OP(=O)(Oc3ccccc3)Oc4ccccc4,"InChI=1/C27H25O4P/c1-27(2,22-14-6-3-7-15-22)25-20-12-13-21-26(25)31-32(28,29-23-16-8-4-9-17-23)30-24-18-10-5-11-19-24/h3-21H,1-2H3",C27H25O4P,,,,,,NSKVIUBXDJHCAL-UHFFFAOYSA-N,,,,,,,,,,,
100.047.232,251-971-4,34372-72-0,"2'-(dibenzylamino)-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-(dibenzylamino)-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(Cc6ccccc6)Cc7ccccc7)c1,CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(Cc6ccccc6)Cc7ccccc7)c1,"InChI=1/C38H34N2O3/c1-3-39(4-2)30-19-21-33-36(24-30)42-35-22-20-29(23-34(35)38(33)32-18-12-11-17-31(32)37(41)43-38)40(25-27-13-7-5-8-14-27)26-28-15-9-6-10-16-28/h5-24H,3-4,25-26H2,1-2H3",C38H34N2O3,,,,,,DXYZIGZCEVJFIX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.236,251-976-1,34378-76-2,"D-Glucose, 6-(dihydrogen phosphate), magnesium salt","[6-O-(phosphono-kappa~2~O,O')hexopyranosato(2-)]magnesium",OC1OC(COP2(=O)O[Mg]O2)C(O)C(O)C1O,OC1OC(COP2(=O)O[Mg]O2)C(O)C(O)C1O,"InChI=1/C6H13O9P.Mg/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+2/p-2/rC6H11MgO9P/c8-3-2(1-13-17(12)15-7-16-17)14-6(11)5(10)4(3)9/h2-6,8-11H,1H2",C6H13O9P.xMg,,,,,,JCKOBTMPGRTUJH-UHFFFAOYSA-L,,,,,,,,,,,
100.047.239,251-979-8,34380-66-0,"1,1,2,3,3-pentamethylindan-5-ol","1,1,2,3,3-pentamethylindan-5-ol",CC1C(C)(C)c2ccc(O)cc2C1(C)C,CC1C(C)(C)c2ccc(O)cc2C1(C)C,"InChI=1/C14H20O/c1-9-13(2,3)11-7-6-10(15)8-12(11)14(9,4)5/h6-9,15H,1-5H3",C14H20O,,,,,,OAZWKUSHEIWQKO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.242,251-982-4,34382-02-0,"2,3,3',4,4'-penta-O-acetylsucrose","3,4-di-O-acetylhex-2-ulofuranosyl 2,3,4-tri-O-acetylhexopyranoside",CC(=O)OC1C(CO)OC(OC2(CO)OC(CO)C(OC(=O)C)C2OC(=O)C)C(OC(=O)C)C1OC(=O)C,CC(=O)OC1C(CO)OC(OC2(CO)OC(CO)C(OC(=O)C)C2OC(=O)C)C(OC(=O)C)C1OC(=O)C,"InChI=1/C22H32O16/c1-9(26)31-16-14(6-23)36-21(19(34-12(4)29)18(16)33-11(3)28)38-22(8-25)20(35-13(5)30)17(32-10(2)27)15(7-24)37-22/h14-21,23-25H,6-8H2,1-5H3",C22H32O16,,,,,,UMOFHQSJMUINFR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.835,277-942-6,74649-96-0,"2,2-dimethyl-1,4,7,10-tetraoxacyclododecane","2,2-dimethyl-1,4,7,10-tetraoxacyclododecane",CC1(C)COCCOCCOCCO1,CC1(C)COCCOCCOCCO1,"InChI=1/C10H20O4/c1-10(2)9-13-6-5-11-3-4-12-7-8-14-10/h3-9H2,1-2H3",C10H20O4,,,,,,QKGREUBKUYOBTR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.837,277-944-7,74651-62-0,"5-chlorosulphonyl-2,3-dimethoxybenzoic acid","5-(chlorosulfonyl)-2,3-dimethoxybenzoic acid",COc1cc(cc(C(=O)O)c1OC)S(=O)(=O)Cl,COc1cc(cc(C(=O)O)c1OC)S(=O)(=O)Cl,"InChI=1/C9H9ClO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)",C9H9ClO6S,,,,,,TWHADRKVBHEANG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.838,277-945-2,74651-63-1,"2,3-dimethoxy-5-[(methylamino)sulphonyl]benzoic acid","2,3-dimethoxy-5-(methylsulfamoyl)benzoic acid",CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)O,CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)O,"InChI=1/C10H13NO6S/c1-11-18(14,15)6-4-7(10(12)13)9(17-3)8(5-6)16-2/h4-5,11H,1-3H3,(H,12,13)",C10H13NO6S,,,,,,XXXLNTRZWHZOCN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.034,282-563-4,84255-17-4,2-[[4-[(2-cyanoethyl)ethylamino]-o-tolyl]azo]-5-nitrobenzonitrile,2-({4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}diazenyl)-5-nitrobenzonitrile,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CCC#N)c(C#N)c2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CCC#N)c(C#N)c2,"InChI=1/C19H18N6O2/c1-3-24(10-4-9-20)16-5-7-18(14(2)11-16)22-23-19-8-6-17(25(26)27)12-15(19)13-21/h5-8,11-12H,3-4,10H2,1-2H3",C19H18N6O2,,,,,,FZBZYULVSAHGAU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.036,282-566-0,84255-19-6,5-methyl-2-undecyl-1H-imidazole-4-carbodithioic acid,4-methyl-2-undecyl-1H-imidazole-5-carbodithioic acid,CCCCCCCCCCCc1nc(C)c([nH]1)C(=S)S,CCCCCCCCCCCc1nc(C)c([nH]1)C(=S)S,"InChI=1/C16H28N2S2/c1-3-4-5-6-7-8-9-10-11-12-14-17-13(2)15(18-14)16(19)20/h3-12H2,1-2H3,(H,17,18)(H,19,20)",C16H28N2S2,,,,,,PAEDOSGPFZUHAK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.039,282-569-7,84255-22-1,2-undecyl-1H-imidazole-4-carboxylic acid,2-undecyl-1H-imidazole-4-carboxylic acid,CCCCCCCCCCCc1nc(c[nH]1)C(=O)O,CCCCCCCCCCCc1nc(c[nH]1)C(=O)O,"InChI=1/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(17-14)15(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)",C15H26N2O2,,,,,,DIDXGZDIJOYLCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.044,282-574-4,84255-27-6,"trans-1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-4-hydroxy-L-proline, compound with piperidine (1:1)",1-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-4-hydroxy-L-proline - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CC(O)C[C@H]3C(=O)O.C4CCNCC4,CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CC(O)C[C@H]3C(=O)O.C4CCNCC4,"InChI=1/C17H20N2O5S.C5H11N/c1-18(2)14-7-3-6-13-12(14)5-4-8-16(13)25(23,24)19-10-11(20)9-15(19)17(21)22;1-2-4-6-5-3-1/h3-8,11,15,20H,9-10H2,1-2H3,(H,21,22);6H,1-5H2",C17H20N2O5S.C5H11N,,,,,,FZUNHTVJWQLYPG-XEKVDKDVSA-N,,,,,,,,,,,
100.075.048,282-579-1,84255-31-2,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-leucine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-leucine - piperidine (1:1),CC(C)C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CC(C)C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C18H24N2O4S.C5H11N/c1-12(2)11-15(18(21)22)19-25(23,24)17-10-6-7-13-14(17)8-5-9-16(13)20(3)4;1-2-4-6-5-3-1/h5-10,12,15,19H,11H2,1-4H3,(H,21,22);6H,1-5H2",C18H24N2O4S.C5H11N,,,,,,RMTYRELLCOHJLO-RSAXXLAASA-N,,,,,,,,,,,
100.075.058,282-590-1,84255-41-4,"2,5-dimethyl-1H-imidazole-4-carbodithioic acid","2,4-dimethyl-1H-imidazole-5-carbodithioic acid",Cc1nc(C)c([nH]1)C(=S)S,Cc1nc(C)c([nH]1)C(=S)S,"InChI=1/C6H8N2S2/c1-3-5(6(9)10)8-4(2)7-3/h1-2H3,(H,7,8)(H,9,10)",C6H8N2S2,,,,,,IYGWFIIGWCNJAR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.125,278-261-7,75578-77-7,"3-benzoyl-6-hydroxy-1,2-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","3-benzoyl-6-hydroxy-1,2-phenylene bis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",Oc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34)c1OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56,Oc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34)c1OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56,"InChI=1/C33H18N4O10S2/c34-36-24-15-12-19-21(30(24)40)8-4-10-27(19)48(42,43)46-32-23(29(39)18-6-2-1-3-7-18)14-17-26(38)33(32)47-49(44,45)28-11-5-9-22-20(28)13-16-25(37-35)31(22)41/h1-17,38H",C33H18N4O10S2,,,,,,KWYHNQZVSXUKEH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.129,278-265-9,75594-10-4,"4-[(4,5-dihydro-1H-imidazol-2-yl)amino]pyrocatechol monohydrobromide","4-(4,5-dihydro-1H-imidazol-2-ylamino)benzene-1,2-diol hydrobromide",Br.Oc1ccc(NC2=NCCN2)cc1O,Br.Oc1ccc(NC2=NCCN2)cc1O,"InChI=1/C9H11N3O2.BrH/c13-7-2-1-6(5-8(7)14)12-9-10-3-4-11-9;/h1-2,5,13-14H,3-4H2,(H2,10,11,12);1H",C9H11N3O2.BrH,,,,,,IHDSRMRRAGEQFY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.130,278-266-4,75601-56-8,"4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-N-(3-methoxypropyl)benzenesulphonamide","4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-N-(3-methoxypropyl)benzenesulfonamide",COCCCNS(=O)(=O)c1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,COCCCNS(=O)(=O)c1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C24H22N2O7S/c1-32-12-4-11-26-34(30,31)15-9-7-14(8-10-15)33-19-13-18(27)20-21(22(19)25)24(29)17-6-3-2-5-16(17)23(20)28/h2-3,5-10,13,26-27H,4,11-12,25H2,1H3",C24H22N2O7S,,,,,,ZNHAFMWABUTMHD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.329,278-485-5,76526-43-7,"Methyl 3,3-dimethoxy-2-methylpropionate","methyl 3,3-dimethoxy-2-methylpropanoate",COC(OC)C(C)C(=O)OC,COC(OC)C(C)C(=O)OC,"InChI=1/C7H14O4/c1-5(6(8)9-2)7(10-3)11-4/h5,7H,1-4H3",C7H14O4,,,,,,CBFKVFFWFXUWDK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.331,278-487-6,76541-44-1,3-(difluoromethyl)pyridine,3-(difluoromethyl)pyridine,FC(F)c1cccnc1,FC(F)c1cccnc1,"InChI=1/C6H5F2N/c7-6(8)5-2-1-3-9-4-5/h1-4,6H",C6H5F2N,,,,,,HKRKGTFBASUFRO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.342,278-499-1,76611-16-0,1-chloro-4-isopropyl-3-nitrobenzene,4-chloro-1-isopropyl-2-nitrobenzene,CC(C)c1ccc(Cl)cc1[N+](=O)[O-],CC(C)c1ccc(Cl)cc1[N+](=O)[O-],"InChI=1/C9H10ClNO2/c1-6(2)8-4-3-7(10)5-9(8)11(12)13/h3-6H,1-2H3",C9H10ClNO2,,,,,,AOTRFBGCYAXAPY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.343,278-500-5,76617-38-4,"3,3-dichlorodihydro-5-phenylfuran-2(3H)-one","3,3-dichloro-5-phenyldihydrofuran-2(3H)-one",ClC1(Cl)CC(OC1=O)c2ccccc2,ClC1(Cl)CC(OC1=O)c2ccccc2,"InChI=1/C10H8Cl2O2/c11-10(12)6-8(14-9(10)13)7-4-2-1-3-5-7/h1-5,8H,6H2",C10H8Cl2O2,,,,,,DHPZQCISEMBVQN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.390,251-046-5,32445-12-8,2-methoxy-4-(phenylamino)benzenediazonium,4-anilino-2-methoxybenzenediazonium,COc1cc(Nc2ccccc2)ccc1[N+]#N,COc1cc(Nc2ccccc2)ccc1[N+]#N,"InChI=1/C13H12N3O/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10/h2-9,15H,1H3/q+1",C13H12N3O,,,,,,LMVXMJUMQJUKDF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.394,251-050-7,32448-92-3,Butoxytitanium dichloride,butoxytitanium dichloride,[Cl-].[Cl-].CCCCO[Ti+].CCCCO[Ti+],[Cl-].[Cl-].CCCCO[Ti+].CCCCO[Ti+],"InChI=1/2C4H9O.2ClH.2Ti/c2*1-2-3-4-5;;;;/h2*2-4H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2/r2C4H9OTi.2ClH/c2*1-2-3-4-5-6;;/h2*2-4H2,1H3;2*1H/q2*+1;;/p-2",C4H9Cl2OTi,,,,,,FJTKWEAHOJMCAV-UHFFFAOYSA-L,,,,,,,,,,,
100.046.399,251-055-4,32451-19-7,2-thien-2-ylthiazolidine-4-carboxylic acid,"2-(2-thienyl)-1,3-thiazolidine-4-carboxylic acid",OC(=O)C1CSC(N1)c2cccs2,OC(=O)C1CSC(N1)c2cccs2,"InChI=1/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)",C8H9NO2S2,,,,,,ZUDFHYZUQCNUJF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.412,251-070-6,32508-22-8,2-methylbicyclo[2.2.1]heptane-2-carboxylic acid,2-methylbicyclo[2.2.1]heptane-2-carboxylic acid,CC1(CC2CCC1C2)C(=O)O,CC1(CC2CCC1C2)C(=O)O,"InChI=1/C9H14O2/c1-9(8(10)11)5-6-2-3-7(9)4-6/h6-7H,2-5H2,1H3,(H,10,11)",C9H14O2,,,,,,JZKREHRYLBOJRP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.416,251-074-8,32510-27-3,"Benzothiazole-2(3H)-thione, copper salt",-,[Cu+].S=C1Nc2ccccc2S1,[Cu+].S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.Cu/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1",C7H5NS2.xCu,,,,,,OFEUSUWRXZHDRM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.417,251-075-3,32510-61-5,(6R-trans)-3-(acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(acetoxymethyl)-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cn3cnnn3)C2=O)C(=O)O,CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cn3cnnn3)C2=O)C(=O)O,"InChI=1/C13H14N6O6S/c1-6(20)25-3-7-4-26-12-9(11(22)19(12)10(7)13(23)24)15-8(21)2-18-5-14-16-17-18/h5,9,12H,2-4H2,1H3,(H,15,21)(H,23,24)",C13H14N6O6S,,,,,,PIXMOMPJMIAMLJ-CABZTGNLSA-N,,,,,,,,,,,
100.046.418,251-076-9,32511-34-5,"(1R,2S,4R)-born-2-ylamine","1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine",CC1(C)C2CCC1(C)C(N)C2,CC1(C)C2CCC1(C)C(N)C2,"InChI=1/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3",C10H19N,,,,,,MDFWXZBEVCOVIO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.028,283-662-5,84696-57-1,Barium 4-[(4-ethoxy-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,barium 4-[(4-ethoxy-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ba+2].[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Ba+2].[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C19H16N2O7S.Ba/c1-2-28-12-7-8-15(16(10-12)29(25,26)27)20-21-17-13-6-4-3-5-11(13)9-14(18(17)22)19(23)24;/h3-10,22H,2H2,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C19H16N2O7S.xBa,,,,,,KVIBEBDEXZAHGW-UHFFFAOYSA-L,,,,,,,,,,,
100.076.029,283-663-0,84696-58-2,Calcium 4-[(4-ethoxy-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,calcium 4-[(4-ethoxy-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Ca+2].[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Ca+2].[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C19H16N2O7S.Ca/c1-2-28-12-7-8-15(16(10-12)29(25,26)27)20-21-17-13-6-4-3-5-11(13)9-14(18(17)22)19(23)24;/h3-10,22H,2H2,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C19H16N2O7S.xCa,,,,,,RYLQBZRHPUVCHB-UHFFFAOYSA-L,,,,,,,,,,,
100.076.035,283-669-3,84696-64-0,"2,13-dimethyl-3,6,9,12-tetraoxatetradecane","2,13-dimethyl-3,6,9,12-tetraoxatetradecane",CC(C)OCCOCCOCCOC(C)C,CC(C)OCCOCCOCCOC(C)C,"InChI=1/C12H26O4/c1-11(2)15-9-7-13-5-6-14-8-10-16-12(3)4/h11-12H,5-10H2,1-4H3",C12H26O4,,,,,,AHTTUKMNYVZLFF-UHFFFAOYSA-N,,,,,,,,,,,
100.076.037,283-671-4,84696-66-2,"4-chloro-2-(2,3-dichlorophenoxy)benzothiazole","4-chloro-2-(2,3-dichlorophenoxy)-1,3-benzothiazole",Clc1cccc(Oc2nc3c(Cl)cccc3s2)c1Cl,Clc1cccc(Oc2nc3c(Cl)cccc3s2)c1Cl,InChI=1/C13H6Cl3NOS/c14-7-3-1-5-9(11(7)16)18-13-17-12-8(15)4-2-6-10(12)19-13/h1-6H,C13H6Cl3NOS,,,,,,KIXCOZQZWVZDBV-UHFFFAOYSA-N,,,,,,,,,,,
100.076.039,283-674-0,84696-68-4,"Potassium 8-methoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylate","potassium 8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylate",[K+].COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)[O-])[N+](=O)[O-],[K+].COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)[O-])[N+](=O)[O-],"InChI=1/C17H11NO7.K/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1",C17H11NO7.K,,,,,,BCXHLVCJJTXBRG-UHFFFAOYSA-M,,,,,,,,,,,
100.052.458,257-722-6,52187-19-6,"cis-3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-ol","2,2-dimethyl-3a,4,9,9a-tetrahydronaphtho[2,3-d][1,3]dioxol-5-ol",CC1(C)O[C@H]2Cc3c(O)cccc3C[C@H]2O1,CC1(C)O[C@H]2Cc3c(O)cccc3C[C@H]2O1,"InChI=1/C13H16O3/c1-13(2)15-11-6-8-4-3-5-10(14)9(8)7-12(11)16-13/h3-5,11-12,14H,6-7H2,1-2H3",C13H16O3,,,,,,VHQZRMCDYDICCK-NEPJUHHUSA-N,,,,,,,,,,,
100.062.292,268-542-2,68123-11-5,"N-[3-(pentadecyloxy)propyl]propane-1,3-diamine","N-[3-(pentadecyloxy)propyl]propane-1,3-diamine",CCCCCCCCCCCCCCCOCCCNCCCN,CCCCCCCCCCCCCCCOCCCNCCCN,"InChI=1/C21H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-24-21-16-19-23-18-15-17-22/h23H,2-22H2,1H3",C21H46N2O,,,,,,PUKQYCOBAZVBIG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.339,269-694-2,68310-06-5,N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]benzamide,N-{5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}benzamide,Clc3cc(ccc3N=Nc2ccc(cc2NC(=O)c1ccccc1)N(CCO)CCO)[N+]([O-])=O,Clc3cc(ccc3N=Nc2ccc(cc2NC(=O)c1ccccc1)N(CCO)CCO)[N+]([O-])=O,"InChI=1/C23H22ClN5O5/c24-19-14-18(29(33)34)7-8-20(19)26-27-21-9-6-17(28(10-12-30)11-13-31)15-22(21)25-23(32)16-4-2-1-3-5-16/h1-9,14-15,30-31H,10-13H2,(H,25,32)",C23H22ClN5O5,,,,,,NGQZKLOOMICCSD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.342,269-697-9,68310-09-8,1-[(dodec-4-ylphenyl)azo]-2-naphthol,1-{[2-(1-propylnonyl)phenyl]diazenyl}-2-naphthol,CCCC(CCCCCCCC)c3ccccc3N=Nc1c2ccccc2ccc1O,CCCC(CCCCCCCC)c3ccccc3N=Nc1c2ccccc2ccc1O,"InChI=1/C28H36N2O/c1-3-5-6-7-8-9-15-22(14-4-2)24-17-12-13-19-26(24)29-30-28-25-18-11-10-16-23(25)20-21-27(28)31/h10-13,16-22,31H,3-9,14-15H2,1-2H3",C28H36N2O,,,,,,SWVUBOSDXDEFSY-UHFFFAOYSA-N,,,,,,,,,,,
100.063.346,269-702-4,68310-13-4,Palladium(2+) dipotassium disulphite,palladium(2+) dipotassium disulphite,[K+].[K+].[Pd+2].[O-]S(=O)[O-].[O-]S(=O)[O-],[K+].[K+].[Pd+2].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/2K.2H2O3S.Pd/c;;2*1-4(2)3;/h;;2*(H2,1,2,3);/q2*+1;;;+2/p-4",H2O3S.K.1/2Pd,,,,,,DQANBGFHSMNUGH-UHFFFAOYSA-J,,,,,,,,,,,
100.077.421,285-194-7,85048-01-7,"(1aa,4aa,7a,7aß,7ba)-(-)-1a,2,4a,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene","1,1,4,7-tetramethyl-1a,2,4a,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene",C[C@H]1CC[C@H]2[C@H]1[C@H]3[C@@H](CC=C2C)C3(C)C,C[C@H]1CC[C@H]2[C@H]1[C@H]3[C@@H](CC=C2C)C3(C)C,"InChI=1/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3",C15H24,,,,,,DJAYTQZJAJXFDU-MQLXINIDSA-N,,,,,,,,,,,
100.072.575,279-856-4,81949-88-4,"1-(3,5-dichlorophenyl)-3-(methoxymethyl)pyrrolidine-2,5-dione","1-(3,5-dichlorophenyl)-3-(methoxymethyl)pyrrolidine-2,5-dione",COCC1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,COCC1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,"InChI=1/C12H11Cl2NO3/c1-18-6-7-2-11(16)15(12(7)17)10-4-8(13)3-9(14)5-10/h3-5,7H,2,6H2,1H3",C12H11Cl2NO3,,,,,,GKRWQTZYSYFMOV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.577,279-859-0,81969-07-5,"Bis[5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] tetrachlorozincate(2-)","bis[5-(dimethylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium] tetrachlorozincate(2-)",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C)C,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C)C,"InChI=1/2C13H19N6S.4ClH.Zn/c2*1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;;;;;/h2*6-9H,1-5H3;4*1H;/q2*+1;;;;;+2/p-4/r2C13H19N6S.Cl4Zn/c2*1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-5(2,3)4/h2*6-9H,1-5H3;/q2*+1;-2",C13H19N6S.1/2Cl4Zn,,,,,,PDPBOEGQUUCQTR-UHFFFAOYSA-J,,,,,,,,,,,
100.072.580,279-862-7,81972-27-2,3-(trichlorovinyl)anilinium chloride,3-(trichlorovinyl)anilinium chloride,[Cl-].[NH3+]c1cccc(c1)C(=C(Cl)Cl)Cl,[Cl-].[NH3+]c1cccc(c1)C(=C(Cl)Cl)Cl,"InChI=1/C8H6Cl3N.ClH/c9-7(8(10)11)5-2-1-3-6(12)4-5;/h1-4H,12H2;1H",C8H6Cl3N.ClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17318,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.580,RXKNTFGQXQGYDW-UHFFFAOYSA-N,,,,,,,,,,,
100.072.582,279-864-8,81974-61-0,3-methylbutyl palmitate,3-methylbutyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCC(C)C,CCCCCCCCCCCCCCCC(=O)OCCC(C)C,"InChI=1/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h20H,4-19H2,1-3H3",C21H42O2,,,,,,NXBIDOXPIIWDMX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.584,279-866-9,81982-30-1,Methyl 4-amino-5-methylaminosulphonyl-o-anisate,methyl 4-amino-2-methoxy-5-(methylsulfamoyl)benzoate,CNS(=O)(=O)c1cc(C(=O)OC)c(OC)cc1N,CNS(=O)(=O)c1cc(C(=O)OC)c(OC)cc1N,"InChI=1/C10H14N2O5S/c1-12-18(14,15)9-4-6(10(13)17-3)8(16-2)5-7(9)11/h4-5,12H,11H2,1-3H3",C10H14N2O5S,,,,,,FNDGWZOBMQDUGM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.607,279-892-0,82045-60-1,3-(methylthio)acrylaldehyde,3-(methylsulfanyl)acrylaldehyde,CS\\C=C\\C=O,CS\C=C\C=O,"InChI=1/C4H6OS/c1-6-4-2-3-5/h2-4H,1H3",C4H6OS,,,,,,GMTLWWYVRPTAIY-DUXPYHPUSA-N,,,,,,,,,,,
100.072.615,279-900-2,82104-74-3,"1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile","1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile",O=C1OCc2cc(ccc12)C#N,O=C1OCc2cc(ccc12)C#N,"InChI=1/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2",C9H5NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10653,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.615,XEEGWTLAFIZLSF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.293,268-543-8,68123-12-6,"[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium benzoate","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium benzoate",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)c4ccccc4,CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)c4ccccc4,"InChI=1/C27H33N2.C7H6O2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;8-7(9)6-4-2-1-3-5-6/h9-21H,5-8H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1",C27H33N2.C7H5O2,,,,,,RHJLUWADVWYAOP-UHFFFAOYSA-M,,,,,,,,,,,
100.070.840,277-947-3,74651-65-3,"(-)-2,3-dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide monohydrochloride","2,3-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(methylsulfamoyl)benzamide hydrochloride",Cl.CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,Cl.CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,"InChI=1/C16H25N3O5S.ClH/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2;/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20);1H",C16H25N3O5S.ClH,,,,,,ALHNNRXEJWFXLT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.841,277-948-9,74651-66-4,"(+)-2,3-dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide","2,3-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(methylsulfamoyl)benzamide",CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,"InChI=1/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)",C16H25N3O5S,,,,,,SODOSTUXGWHQII-UHFFFAOYSA-N,,,,,,,,,,,
100.070.854,277-963-0,74671-17-3,N-isopropyl-p-vinylphenethylamine,N-[2-(4-vinylphenyl)ethyl]propan-2-amine,CC(C)NCCc1ccc(C=C)cc1,CC(C)NCCc1ccc(C=C)cc1,"InChI=1/C13H19N/c1-4-12-5-7-13(8-6-12)9-10-14-11(2)3/h4-8,11,14H,1,9-10H2,2-3H3",C13H19N,,,,,,WKEHOEOBHHJZPS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.858,277-967-2,74682-60-3,"3-(hexylthio)-1H-1,2,4-triazole","3-(hexylsulfanyl)-4H-1,2,4-triazole",CCCCCCSc1nnc[nH]1,CCCCCCSc1nnc[nH]1,"InChI=1/C8H15N3S/c1-2-3-4-5-6-12-8-9-7-10-11-8/h7H,2-6H2,1H3,(H,9,10,11)",C8H15N3S,,,,,,NZXRSXPNMMTVHB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.859,277-968-8,74687-14-2,"Methyl 2,2,2-trifluoroethyl 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","methyl 2,2,2-trifluoroethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",COC(=O)C1=C(C)NC(=C(C1c2ccccc2Cl)C(=O)OCC(F)(F)F)C,COC(=O)C1=C(C)NC(=C(C1c2ccccc2Cl)C(=O)OCC(F)(F)F)C,"InChI=1/C18H17ClF3NO4/c1-9-13(16(24)26-3)15(11-6-4-5-7-12(11)19)14(10(2)23-9)17(25)27-8-18(20,21)22/h4-7,15,23H,8H2,1-3H3",C18H17ClF3NO4,,,,,,XBNFAKYRYKBSAO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.863,277-973-5,74711-43-6,"10,11-dihydro-a-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid","2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid",CC(C(=O)O)c1ccc2Sc3ccccc3C(=O)Cc2c1,CC(C(=O)O)c1ccc2Sc3ccccc3C(=O)Cc2c1,"InChI=1/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)",C17H14O3S,,,,,,MUXFZBHBYYYLTH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.865,277-975-6,74727-37-0,"Tetrasodium [(9,10-dihydro-9,10-dioxoanthracene-2,6-diyl)bis(sulphonylimino)]bismethanesulphonate","tetrasodium [(9,10-dihydro-9,10-dioxoanthracene-2,6-diyl)bis(sulphonylimino)]bismethanesulphonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)CNS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)NCS(=O)(=O)[O-].[O-]S(=O)(=O)CNS(=O)(=O)c4ccc5C(=O)c6cc(ccc6C(=O)c5c4)S(=O)(=O)NCS(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)CNS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)NCS(=O)(=O)[O-].[O-]S(=O)(=O)CNS(=O)(=O)c4ccc5C(=O)c6cc(ccc6C(=O)c5c4)S(=O)(=O)NCS(=O)(=O)[O-],"InChI=1/2C16H14N2O12S4.4Na/c2*19-15-11-3-1-9(33(27,28)17-7-31(21,22)23)5-13(11)16(20)12-4-2-10(6-14(12)15)34(29,30)18-8-32(24,25)26;;;;/h2*1-6,17-18H,7-8H2,(H,21,22,23)(H,24,25,26);;;;/q;;4*+1/p-4",C16H14N2O12S4.4Na,,,,,,VIBJMBGJCMAOIO-UHFFFAOYSA-J,,,,,,,,,,,
100.070.866,277-976-1,74727-48-3,"Tetrasodium [(9,10-dihydro-9,10-dioxoanthracene-1,6-diyl)bis(sulphonylimino)]bismethanesulphonate","tetrasodium [(9,10-dihydro-9,10-dioxoanthracene-1,6-diyl)bis(sulphonylimino)]bismethanesulphonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)CNS(=O)(=O)c1ccc2C(=O)c3c(cccc3S(=O)(=O)NCS(=O)(=O)[O-])C(=O)c2c1.[O-]S(=O)(=O)CNS(=O)(=O)c4ccc5C(=O)c6c(cccc6S(=O)(=O)NCS(=O)(=O)[O-])C(=O)c5c4,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)CNS(=O)(=O)c1ccc2C(=O)c3c(cccc3S(=O)(=O)NCS(=O)(=O)[O-])C(=O)c2c1.[O-]S(=O)(=O)CNS(=O)(=O)c4ccc5C(=O)c6c(cccc6S(=O)(=O)NCS(=O)(=O)[O-])C(=O)c5c4,"InChI=1/2C16H14N2O12S4.4Na/c2*19-15-11-2-1-3-13(34(29,30)18-8-32(24,25)26)14(11)16(20)10-5-4-9(6-12(10)15)33(27,28)17-7-31(21,22)23;;;;/h2*1-6,17-18H,7-8H2,(H,21,22,23)(H,24,25,26);;;;/q;;4*+1/p-4",C16H14N2O12S4.4Na,,,,,,OPSMSSMATZWMJR-UHFFFAOYSA-J,,,,,,,,,,,
100.052.416,257-676-7,52125-65-2,Stilbenecarboxylic acid,2-(2-phenylvinyl)benzoic acid,OC(=O)c1ccccc1\\C=C\\c2ccccc2,OC(=O)c1ccccc1\C=C\c2ccccc2,"InChI=1/C15H12O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)",C15H12O2,,,,,,MGJDPQKVELOHMT-ZHACJKMWSA-N,,,,,,,,,,,
100.052.417,257-677-2,52126-51-9,"Sodium hydrogen 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","hydrogen sodium 5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[O-]C(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-],[Na+].[O-]C(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C10H8N2O6S.Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;/h1-4H,5H2,(H,14,15)(H,16,17,18);/q;+1/p-2",C10H8N2O6S.Na,,,,,,KFVXGVBBXSOYNO-UHFFFAOYSA-L,,,,,,,,,,,
100.052.421,257-681-4,52130-87-7,2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide,2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide,[O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2Cl,[O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c2ccccc2Cl,"InChI=1/C15H10BrClN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)",C15H10BrClN2O4,,,,,,XSTMFEOLMKEEMU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.174,280-514-1,83682-26-2,N-(4-chloro-2-methylphenyl)-4-[[5-[(dimethylamino)sulphonyl]-2-methylphenyl]azo]-3-hydroxynaphthalene-2-carboxamide,N-(4-chloro-2-methylphenyl)-4-{[5-(dimethylsulfamoyl)-2-methylphenyl]diazenyl}-3-hydroxy-2-naphthamide,Clc4cc(C)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)S(=O)(=O)N(C)C)c3O)cc4,Clc4cc(C)c(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)S(=O)(=O)N(C)C)c3O)cc4,"InChI=1/C27H25ClN4O4S/c1-16-9-11-20(37(35,36)32(3)4)15-24(16)30-31-25-21-8-6-5-7-18(21)14-22(26(25)33)27(34)29-23-12-10-19(28)13-17(23)2/h5-15,33H,1-4H3,(H,29,34)",C27H25ClN4O4S,,,,,,NSTSGPYVQXURPN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.175,280-515-7,83682-27-3,"Sodium a,4-dihydroxy-3-methoxy-a-methylbenzeneethanesulphonate",sodium 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propane-2-sulfonate,[Na+].COc1cc(CC(C)(O)S(=O)(=O)[O-])ccc1O,[Na+].COc1cc(CC(C)(O)S(=O)(=O)[O-])ccc1O,"InChI=1/C10H14O6S.Na/c1-10(12,17(13,14)15)6-7-3-4-8(11)9(5-7)16-2;/h3-5,11-12H,6H2,1-2H3,(H,13,14,15);/q;+1/p-1",C10H14O6S.Na,,,,,,KJFMQNRVLLRDGN-UHFFFAOYSA-M,,,,,,,,,,,
100.075.062,282-594-3,84255-45-8,"1-(1,3-diphenylbutyl)-4-ethylbenzene","1-(1,3-diphenylbutyl)-4-ethylbenzene",CCc1ccc(cc1)C(CC(C)c2ccccc2)c3ccccc3,CCc1ccc(cc1)C(CC(C)c2ccccc2)c3ccccc3,"InChI=1/C24H26/c1-3-20-14-16-23(17-15-20)24(22-12-8-5-9-13-22)18-19(2)21-10-6-4-7-11-21/h4-17,19,24H,3,18H2,1-2H3",C24H26,,,,,,VCESGYYDVUQCQF-UHFFFAOYSA-N,,,,,,,,,,,
100.075.078,282-613-5,84256-97-3,"20,20'-(2-hydroxypropane-1,3-diyl)bis[2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]henicosan-21-one]","20,20'-(2-hydroxypropane-1,3-diyl)bis(2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]henicosan-21-one)",CC1(C)CC2(CC(C)(C)N1)OC3(CCCCCCCCCCC3)N(CC(O)CN4C(=O)C5(CC(C)(C)NC(C)(C)C5)OC46CCCCCCCCCCC6)C2=O,CC1(C)CC2(CC(C)(C)N1)OC3(CCCCCCCCCCC3)N(CC(O)CN4C(=O)C5(CC(C)(C)NC(C)(C)C5)OC46CCCCCCCCCCC6)C2=O,"InChI=1/C47H84N4O5/c1-40(2)33-44(34-41(3,4)48-40)38(53)50(46(55-44)27-23-19-15-11-9-12-16-20-24-28-46)31-37(52)32-51-39(54)45(35-42(5,6)49-43(7,8)36-45)56-47(51)29-25-21-17-13-10-14-18-22-26-30-47/h37,48-49,52H,9-36H2,1-8H3",C47H84N4O5,,,,,,TYKXEXOKIKGRAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.142,278-280-0,75627-29-1,Potassium 2-[[4-[[3-methyl-4-[(phenylsulphonyl)oxy]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate,potassium 2-{[4-({3-methyl-4-[(phenylsulfonyl)oxy]phenyl}diazenyl)phenyl]amino}-5-nitrobenzenesulfonate,[K+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccccc4,[K+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccccc4,"InChI=1/C25H20N4O8S2.K/c1-17-15-20(11-14-24(17)37-39(35,36)22-5-3-2-4-6-22)28-27-19-9-7-18(8-10-19)26-23-13-12-21(29(30)31)16-25(23)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1",C25H20N4O8S2.K,,,,,,XDIWVBKEYVBFLN-UHFFFAOYSA-M,,,,,,,,,,,
100.071.148,278-286-3,75654-98-7,"N,N-diethyl-4-phenylthiazol-2-amine","N,N-diethyl-4-phenyl-1,3-thiazol-2-amine",CCN(CC)c1nc(cs1)c2ccccc2,CCN(CC)c1nc(cs1)c2ccccc2,"InChI=1/C13H16N2S/c1-3-15(4-2)13-14-12(10-16-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",C13H16N2S,,,,,,KORHRZLLIUEBSB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.156,278-295-2,75703-13-8,"(-)-N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydrooxazol-2-amine","N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazol-2-amine",FC(F)(F)C(NC1=NCCO1)C2CCCCC2,FC(F)(F)C(NC1=NCCO1)C2CCCCC2,"InChI=1/C11H17F3N2O/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h8-9H,1-7H2,(H,15,16)",C11H17F3N2O,,,,,,NZNAUUQRNQNXLR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.158,278-297-3,75722-29-1,"Disodium 1-amino-9,10-dihydro-4-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(4-methoxy-3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1S(=O)(=O)CCOS(=O)(=O)[O-],[Na+].[Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1S(=O)(=O)CCOS(=O)(=O)[O-],"InChI=1/C23H20N2O12S3.2Na/c1-36-16-7-6-12(10-17(16)38(28,29)9-8-37-40(33,34)35)25-15-11-18(39(30,31)32)21(24)20-19(15)22(26)13-4-2-3-5-14(13)23(20)27;;/h2-7,10-11,25H,8-9,24H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H20N2O12S3.2Na,,,,,,WMBYWSRNLRAHJO-UHFFFAOYSA-L,,,,,,,,,,,
100.071.164,278-303-4,75762-43-5,"1,1'-[propane-1,3-diylbis(oxy)]bis[2,4-dinitrobenzene]","1,1'-[propane-1,3-diylbis(oxy)]bis(2,4-dinitrobenzene)",[O-][N+](=O)c1ccc(OCCCOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(OCCCOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C15H12N4O10/c20-16(21)10-2-4-14(12(8-10)18(24)25)28-6-1-7-29-15-5-3-11(17(22)23)9-13(15)19(26)27/h2-5,8-9H,1,6-7H2",C15H12N4O10,,,,,,IXBVTQBLDYIPSB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.173,278-313-9,75790-87-3,o-[(p-isocyanatophenyl)thio]phenyl isocyanate,1-isocyanato-2-[(4-isocyanatophenyl)sulfanyl]benzene,O=C=N\\c1ccc(cc1)Sc2ccccc2\\N=C=O,O=C=N\c1ccc(cc1)Sc2ccccc2\N=C=O,InChI=1/C14H8N2O2S/c17-9-15-11-5-7-12(8-6-11)19-14-4-2-1-3-13(14)16-10-18/h1-8H,C14H8N2O2S,,,,,,QEROATAKCLNWHV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.177,278-318-6,75805-17-3,3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide,3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one,CCN(CC)c1ccc(cc1)C2(OC(=O)c3ccccc23)c4c(C)n(CC)c5ccccc45,CCN(CC)c1ccc(cc1)C2(OC(=O)c3ccccc23)c4c(C)n(CC)c5ccccc45,"InChI=1/C29H30N2O2/c1-5-30(6-2)22-18-16-21(17-19-22)29(25-14-10-8-12-23(25)28(32)33-29)27-20(4)31(7-3)26-15-11-9-13-24(26)27/h8-19H,5-7H2,1-4H3",C29H30N2O2,,,,,,HOUWRQXIBSGOHF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.459,257-723-1,52187-21-0,"1-(tert-butylamino)-3-[(3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-yl)oxy]propan-2-ol","1-(tert-butylamino)-3-[(2,2-dimethyl-3a,4,9,9a-tetrahydronaphtho[2,3-d][1,3]dioxol-5-yl)oxy]propan-2-ol",CC(C)(C)NCC(O)COc1cccc2CC3OC(C)(C)OC3Cc12,CC(C)(C)NCC(O)COc1cccc2CC3OC(C)(C)OC3Cc12,"InChI=1/C20H31NO4/c1-19(2,3)21-11-14(22)12-23-16-8-6-7-13-9-17-18(10-15(13)16)25-20(4,5)24-17/h6-8,14,17-18,21-22H,9-12H2,1-5H3",C20H31NO4,,,,,,FCJKHKZRHROKDA-UHFFFAOYSA-N,,,,,,,,,,,
100.052.476,257-742-5,52214-59-2,"Sodium 3,5-dichlorophenolate","sodium 3,5-dichlorophenolate",[Na+].[O-]c1cc(Cl)cc(Cl)c1,[Na+].[O-]c1cc(Cl)cc(Cl)c1,"InChI=1/C6H4Cl2O.Na/c7-4-1-5(8)3-6(9)2-4;/h1-3,9H;/q;+1/p-1",C6H4Cl2O.Na,,,,,,GMNRNYDRORPJRI-UHFFFAOYSA-M,,,,,,,,,,,
100.052.480,257-746-7,52215-22-2,"Octyl dihydrogen phosphate, potassium salt",-,[K+].CCCCCCCCOP(=O)(O)O,[K+].CCCCCCCCOP(=O)(O)O,"InChI=1/C8H19O4P.K/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H2,9,10,11);/q;+1",C8H19O4P.xK,,,,,,VMUBRIXOHLRVGV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.489,257-756-1,52223-83-3,"5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene bisisobutyrate hydrobromide","5-[2-(tert-butylamino)-1-hydroxyethyl]-1,3-phenylene bis(2-methylpropanoate) hydrobromide",Br.CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc(c1)C(O)CNC(C)(C)C,Br.CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc(c1)C(O)CNC(C)(C)C,"InChI=1/C20H31NO5.BrH/c1-12(2)18(23)25-15-8-14(17(22)11-21-20(5,6)7)9-16(10-15)26-19(24)13(3)4;/h8-10,12-13,17,21-22H,11H2,1-7H3;1H",C20H31NO5.BrH,,,,,,BWZYYMJUBTWGSP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.051,278-179-1,75292-41-0,"Sodium 2,4-dimethyl-1H-pyrrole-3-carboxylate","sodium 2,4-dimethyl-1H-pyrrole-3-carboxylate",[Na+].Cc1c[nH]c(C)c1C(=O)[O-],[Na+].Cc1c[nH]c(C)c1C(=O)[O-],"InChI=1/C7H9NO2.Na/c1-4-3-8-5(2)6(4)7(9)10;/h3,8H,1-2H3,(H,9,10);/q;+1/p-1",C7H9NO2.Na,,,,,,HBQYFWMDDXLGBU-UHFFFAOYSA-M,,,,,,,,,,,
100.071.062,278-191-7,75355-65-6,3-hydroxy-1-methylpropyl acetate,3-hydroxy-1-methylpropyl acetate,CC(CCO)OC(=O)C,CC(CCO)OC(=O)C,"InChI=1/C6H12O3/c1-5(3-4-7)9-6(2)8/h5,7H,3-4H2,1-2H3",C6H12O3,,,,,,XEBRMAUHGCNACS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.064,278-193-8,75376-45-3,"Sodium 2,4-di-tert-butylphenolate","sodium 2,4-di-tert-butylphenolate",[Na+].CC(C)(C)c1ccc([O-])c(c1)C(C)(C)C,[Na+].CC(C)(C)c1ccc([O-])c(c1)C(C)(C)C,"InChI=1/C14H22O.Na/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;/h7-9,15H,1-6H3;/q;+1/p-1",C14H22O.Na,,,,,,ZDPVQLNNWLCTPU-UHFFFAOYSA-M,,,,,,,,,,,
100.071.065,278-194-3,75383-79-8,N2-(1-oxobutyl)-L-lysine,N~2~-butyryl-L-lysine,CCCC(=O)N[C@@H](CCCCN)C(=O)O,CCCC(=O)N[C@@H](CCCCN)C(=O)O,"InChI=1/C10H20N2O3/c1-2-5-9(13)12-8(10(14)15)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)",C10H20N2O3,,,,,,VAWJDJJVJBQDHP-QMMMGPOBSA-N,,,,,,,,,,,
100.071.069,278-199-0,75411-49-3,3-methylcyclohex-2-en-1-yl acetate,3-methylcyclohex-2-en-1-yl acetate,CC(=O)OC1CCCC(=C1)C,CC(=O)OC1CCCC(=C1)C,"InChI=1/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h6,9H,3-5H2,1-2H3",C9H14O2,,,,,,LGVFVTJGGYGQOS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.071,278-202-5,75413-98-8,"6-(tert-butyl)-1,2,3,4-tetrahydroquinoline","6-tert-butyl-1,2,3,4-tetrahydroquinoline",CC(C)(C)c1ccc2NCCCc2c1,CC(C)(C)c1ccc2NCCCc2c1,"InChI=1/C13H19N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h6-7,9,14H,4-5,8H2,1-3H3",C13H19N,,,,,,CVUAEQKDQXZBLD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.424,251-083-7,32527-55-2,Tiaramide,"5-chloro-3-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzothiazol-2(3H)-one",OCCN1CCN(CC1)C(=O)CN2C(=O)Sc3ccc(Cl)cc23,OCCN1CCN(CC1)C(=O)CN2C(=O)Sc3ccc(Cl)cc23,"InChI=1/C15H18ClN3O3S/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20/h1-2,9,20H,3-8,10H2",C15H18ClN3O3S,,,,,,HTJXMOGUGMSZOG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.440,251-100-8,32569-21-4,2-hydroxyethyl isopropyl maleate,2-hydroxyethyl isopropyl but-2-enedioate,CC(C)OC(=O)\\C=C/C(=O)OCCO,CC(C)OC(=O)\C=C/C(=O)OCCO,"InChI=1/C9H14O5/c1-7(2)14-9(12)4-3-8(11)13-6-5-10/h3-4,7,10H,5-6H2,1-2H3",C9H14O5,,,,,,HTZHJLUKEIMVLC-ARJAWSKDSA-N,,,,,,,,,,,
100.046.441,251-101-3,32569-24-7,"N-[5-[bis(2-hydroxyethyl)amino]-2-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]acetamide","N-{5-[bis(2-hydroxyethyl)amino]-2-[(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl}acetamide",OCCN(CCO)c3ccc(N=Nc1snc2ccc(cc12)[N+]([O-])=O)c(NC(C)=O)c3,OCCN(CCO)c3ccc(N=Nc1snc2ccc(cc12)[N+]([O-])=O)c(NC(C)=O)c3,"InChI=1/C19H20N6O5S/c1-12(28)20-18-11-13(24(6-8-26)7-9-27)2-5-17(18)21-22-19-15-10-14(25(29)30)3-4-16(15)23-31-19/h2-5,10-11,26-27H,6-9H2,1H3,(H,20,28)",C19H20N6O5S,,,,,,JGQCLEVYGZXEAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.442,251-102-9,32571-82-7,"1-amino-4-anilino-9,10-dihydro-9,10-dioxoanthracene-2-carbonitrile","1-amino-4-anilino-9,10-dioxo-9,10-dihydroanthracene-2-carbonitrile",Nc1c(cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13)C#N,Nc1c(cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c13)C#N,"InChI=1/C21H13N3O2/c22-11-12-10-16(24-13-6-2-1-3-7-13)17-18(19(12)23)21(26)15-9-5-4-8-14(15)20(17)25/h1-10,24H,23H2",C21H13N3O2,,,,,,FJMZFDACASWQCW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.298,268-549-0,68123-31-9,"Benzofuran-3,6,7-triol triacetate","1-benzofuran-3,6,7-triyl triacetate",CC(=O)Oc1ccc2c(OC(=O)C)coc2c1OC(=O)C,CC(=O)Oc1ccc2c(OC(=O)C)coc2c1OC(=O)C,"InChI=1/C14H12O7/c1-7(15)19-11-5-4-10-12(20-8(2)16)6-18-13(10)14(11)21-9(3)17/h4-6H,1-3H3",C14H12O7,,,,,,YHHAGKFFIBSYDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.299,268-550-6,68123-32-0,"2,3-dihydrobenzofuran-6,7-diol diacetate","2,3-dihydro-1-benzofuran-6,7-diyl diacetate",CC(=O)Oc1ccc2CCOc2c1OC(=O)C,CC(=O)Oc1ccc2CCOc2c1OC(=O)C,"InChI=1/C12H12O5/c1-7(13)16-10-4-3-9-5-6-15-11(9)12(10)17-8(2)14/h3-4H,5-6H2,1-2H3",C12H12O5,,,,,,CQKXMCFHRBEEAO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.309,268-561-6,68123-44-4,"Magnesium 4,4'-carbonylbisphthalate (2:1)","dimagnesium 4,4'-carbonyldiphthalate",[MgH2].[MgH2].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],[MgH2].[MgH2].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],"InChI=1/C17H10O9.2Mg.4H/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;;;/q;2*+2;;;;/p-4/rC17H10O9.2H2Mg/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);2*1H2/q;2*+2/p-4",C17H10O9.2Mg,,,,,,AJVIUBKJKHABMN-UHFFFAOYSA-J,,,,,,,,,,,
100.062.310,268-562-1,68123-45-5,"Copper 4,4'-carbonylbisphthalate (2:1)","dicopper(2+) 4,4'-carbonyldiphthalate",[Cu+2].[Cu+2].O=C([O-])C=1/C=C(\\C=C/C=1C([O-])=O)C(=O)c2ccc(C([O-])=O)c(c2)C([O-])=O,[Cu+2].[Cu+2].O=C([O-])C=1/C=C(\C=C/C=1C([O-])=O)C(=O)c2ccc(C([O-])=O)c(c2)C([O-])=O,"InChI=1/C17H10O9.2Cu/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;/q;2*+2/p-4",C17H10O9.2Cu,,,,,,VAJBYHXALLDCQI-UHFFFAOYSA-J,,,,,,,,,,,
100.062.312,268-564-2,68123-47-7,"Tetrarubidium 4,4'-carbonylbisphthalate","tetrarubidium 4,4'-carbonyldiphthalate",[Rb+].[Rb+].[Rb+].[Rb+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],[Rb+].[Rb+].[Rb+].[Rb+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],"InChI=1/C17H10O9.4Rb/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4",C17H10O9.4Rb,,,,,,YWMANRKNBJDNCY-UHFFFAOYSA-J,,,,,,,,,,,
100.062.314,268-566-3,68123-49-9,"1,1'-[[[2-(3-chloro-2-hydroxypropoxy)phenyl]methylene]bis(4,1-phenyleneoxy)]bis[3-chloropropan-2-ol]",1-(2-{bis[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl}phenoxy)-3-chloropropan-2-ol,OC(CCl)COc1ccc(cc1)C(c2ccc(OCC(O)CCl)cc2)c3ccccc3OCC(O)CCl,OC(CCl)COc1ccc(cc1)C(c2ccc(OCC(O)CCl)cc2)c3ccccc3OCC(O)CCl,"InChI=1/C28H31Cl3O6/c29-13-21(32)16-35-24-9-5-19(6-10-24)28(20-7-11-25(12-8-20)36-17-22(33)14-30)26-3-1-2-4-27(26)37-18-23(34)15-31/h1-12,21-23,28,32-34H,13-18H2",C28H31Cl3O6,,,,,,SNPZTKHTBSJNJI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.350,269-707-1,68310-27-0,"N2,N2-bis[3-[[4,6-bis[butyl(2,2,6,6-tetramethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]amino]propyl]-N4,N6-dibutyl-N4,N6-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4,6-triamine",-,CCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(NCCCN(CCCNc3nc(nc(n3)N(CCCC)C4CC(C)(C)NC(C)(C)C4)N(CCCC)C5CC(C)(C)NC(C)(C)C5)c6nc(nc(n6)N(CCCC)C7CC(C)(C)NC(C)(C)C7)N(CCCC)C8CC(C)(C)NC(C)(C)C8)nc(n2)N(CCCC)C9CC(C)(C)NC(C)(C)C9,CCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(NCCCN(CCCNc3nc(nc(n3)N(CCCC)C4CC(C)(C)NC(C)(C)C4)N(CCCC)C5CC(C)(C)NC(C)(C)C5)c6nc(nc(n6)N(CCCC)C7CC(C)(C)NC(C)(C)C7)N(CCCC)C8CC(C)(C)NC(C)(C)C8)nc(n2)N(CCCC)C9CC(C)(C)NC(C)(C)C9,"InChI=1/C93H176N24/c1-31-37-49-112(67-55-82(7,8)105-83(9,10)56-67)76-96-73(97-77(102-76)113(50-38-32-2)68-57-84(11,12)106-85(13,14)58-68)94-45-43-47-111(75-100-80(116(53-41-35-5)71-63-90(23,24)109-91(25,26)64-71)104-81(101-75)117(54-42-36-6)72-65-92(27,28)110-93(29,30)66-72)48-44-46-95-74-98-78(114(51-39-33-3)69-59-86(15,16)107-87(17,18)60-69)103-79(99-74)115(52-40-34-4)70-61-88(19,20)108-89(21,22)62-70/h67-72,105-110H,31-66H2,1-30H3,(H,94,96,97,102)(H,95,98,99,103)",C93H176N24,,,,,,IEMBUWHXCNUYST-UHFFFAOYSA-N,,,,,,,,,,,
100.063.363,269-721-8,68310-62-3,"4,7,10,13-tetraazahexadecane-2,15-diol","4,7,10,13-tetraazahexadecane-2,15-diol",CC(O)CNCCNCCNCCNCC(C)O,CC(O)CNCCNCCNCCNCC(C)O,"InChI=1/C12H30N4O2/c1-11(17)9-15-7-5-13-3-4-14-6-8-16-10-12(2)18/h11-18H,3-10H2,1-2H3",C12H30N4O2,,,,,,GKIPXBGKRKVRLA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.364,269-722-3,68310-63-4,"4,7,10,13,16-pentaazanonadecane-2,18-diol","4,7,10,13,16-pentaazanonadecane-2,18-diol",CC(O)CNCCNCCNCCNCCNCC(C)O,CC(O)CNCCNCCNCCNCCNCC(C)O,"InChI=1/C14H35N5O2/c1-13(20)11-18-9-7-16-5-3-15-4-6-17-8-10-19-12-14(2)21/h13-21H,3-12H2,1-2H3",C14H35N5O2,,,,,,JALHBXZSNVJTLT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.365,269-723-9,68310-64-5,4-[2-[(2-hydroxypropyl)amino]ethyl]-a-methylpiperazine-1-ethanol,1-(4-{2-[(2-hydroxypropyl)amino]ethyl}piperazin-1-yl)propan-2-ol,CC(O)CNCCN1CCN(CC(C)O)CC1,CC(O)CNCCN1CCN(CC(C)O)CC1,"InChI=1/C12H27N3O2/c1-11(16)9-13-3-4-14-5-7-15(8-6-14)10-12(2)17/h11-13,16-17H,3-10H2,1-2H3",C12H27N3O2,,,,,,XANQSUUVEHXZHA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.366,269-724-4,68310-65-6,"15-amino-4,7,10,13-tetraazapentadecanenitrile","1-amino-3,6,9,12-tetraazapentadecane-15-nitrile",NCCNCCNCCNCCNCCC#N,NCCNCCNCCNCCNCCC#N,"InChI=1/C11H26N6/c12-2-1-4-14-6-8-16-10-11-17-9-7-15-5-3-13/h14-17H,1,3-11,13H2",C11H26N6,,,,,,MRXUUSCOXDLUQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.424,257-685-6,52132-81-7,"Sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolinesulphonate","sodium 2,9-dimethyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline-2-sulfonate",[Na+].Cc1cc(c2ccccc2)c3ccc4C(=CC(C)(Nc4c3n1)S(=O)(=O)[O-])c5ccccc5,[Na+].Cc1cc(c2ccccc2)c3ccc4C(=CC(C)(Nc4c3n1)S(=O)(=O)[O-])c5ccccc5,"InChI=1/C26H22N2O3S.Na/c1-17-15-22(18-9-5-3-6-10-18)20-13-14-21-23(19-11-7-4-8-12-19)16-26(2,32(29,30)31)28-25(21)24(20)27-17;/h3-16,28H,1-2H3,(H,29,30,31);/q;+1/p-1",C26H20N2O3S.Na,,,,,,FPVZQCHZAIGOPA-UHFFFAOYSA-M,,,,,,,,,,,
100.052.427,257-688-2,52139-17-0,Strontium hexachlorosilicate(2-),strontium hexachlorosilicate(2-),[Sr+2].Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl,[Sr+2].Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/Cl6Si.Sr/c1-7(2,3,4,5)6;/q-2;+2",Cl6Si.Sr,,,,,,NMEYNFRMEZNCRN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.429,257-690-3,52147-29-2,"2-mercaptoethyl (9Z,12Z)-octadeca-9,12-dienoate","2-sulfanylethyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCCS,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCS,"InChI=1/C20H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23/h6-7,9-10,23H,2-5,8,11-19H2,1H3",C20H36O2S,,,,,,OVTHRUQOYWQEJA-HZJYTTRNSA-N,,,,,,,,,,,
100.052.430,257-691-9,52147-67-8,Methyl (methylsulphinyl)acetate,methyl (methylsulfinyl)acetate,COC(=O)CS(=O)C,COC(=O)CS(=O)C,"InChI=1/C4H8O3S/c1-7-4(5)3-8(2)6/h3H2,1-2H3",C4H8O3S,,,,,,DWNQOKWDJKLVEW-UHFFFAOYSA-N,,,,,,,,,,,
100.052.432,257-694-5,52159-67-8,Methyl 3-chlorosalicylate,methyl 3-chloro-2-hydroxybenzoate,COC(=O)c1cccc(Cl)c1O,COC(=O)c1cccc(Cl)c1O,"InChI=1/C8H7ClO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3",C8H7ClO3,,,,,,MVXSDDGVZSEOIS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.433,257-695-0,52161-12-3,2-chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate,2-chloroethyl 2-(4-chlorophenoxy)-2-methylpropanoate,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCl,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCl,"InChI=1/C12H14Cl2O3/c1-12(2,11(15)16-8-7-13)17-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3",C12H14Cl2O3,,,,,,IUAXUYMFMHJWHL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.434,257-696-6,52165-03-4,Tris(dodecylthio)methylstannane,[tris(dodecylsulfanyl)methyl]stannane,CCCCCCCCCCCCSC([Sn])(SCCCCCCCCCCCC)SCCCCCCCCCCCC,CCCCCCCCCCCCSC([Sn])(SCCCCCCCCCCCC)SCCCCCCCCCCCC,"InChI=1/C37H75S3.Sn/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3;/h4-36H2,1-3H3;/q;+3/rC37H75S3Sn/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(41,39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3/q+3",C37H78S3Sn,,,,,,BZRHKUCZUVXPBV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.436,257-698-7,52166-82-2,Trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium chloride,"N,N,N-trimethyl-3-{[(tridecafluorohexyl)sulfonyl]amino}propan-1-aminium chloride",[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H16F13N2O2S.ClH/c1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;/h26H,4-6H2,1-3H3;1H/q+1;/p-1",C12H16F13N2O2S.Cl,,,,,,RMPHRYCBGYJIDS-UHFFFAOYSA-M,,,,,,,,,,,
100.052.438,257-700-6,52173-68-9,"6-amino-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acid","6-amino-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid",Nc1c(cc2C(=O)NC(=O)c3cccc1c23)S(=O)(=O)O,Nc1c(cc2C(=O)NC(=O)c3cccc1c23)S(=O)(=O)O,"InChI=1/C12H8N2O5S/c13-10-5-2-1-3-6-9(5)7(12(16)14-11(6)15)4-8(10)20(17,18)19/h1-4H,13H2,(H,14,15,16)(H,17,18,19)",C12H8N2O5S,,,,,,CTKMZCFTOKMBBS-UHFFFAOYSA-N,,,,,,,,,,,
100.052.442,257-704-8,52176-20-2,"1,1'-[methylenebis(oxy)]bis[2,4,6-tribromobenzene]","1,1'-[methylenebis(oxy)]bis(2,4,6-tribromobenzene)",Brc1cc(Br)c(OCOc2c(Br)cc(Br)cc2Br)c(Br)c1,Brc1cc(Br)c(OCOc2c(Br)cc(Br)cc2Br)c(Br)c1,"InChI=1/C13H6Br6O2/c14-6-1-8(16)12(9(17)2-6)20-5-21-13-10(18)3-7(15)4-11(13)19/h1-4H,5H2",C13H6Br6O2,,,,,,FNXLWHARVDGLKF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.443,257-705-3,52179-07-4,2-(4-acetylphenoxy)-2-methylpropionic acid,2-(4-acetylphenoxy)-2-methylpropanoic acid,CC(=O)c1ccc(OC(C)(C)C(=O)O)cc1,CC(=O)c1ccc(OC(C)(C)C(=O)O)cc1,"InChI=1/C12H14O4/c1-8(13)9-4-6-10(7-5-9)16-12(2,3)11(14)15/h4-7H,1-3H3,(H,14,15)",C12H14O4,,,,,,CDUYSGJRDZEJPK-UHFFFAOYSA-N,,,,,,,,,,,
100.052.444,257-706-9,52179-08-5,Ethyl 2-[4-(1-hydroxyethyl)phenoxy]isobutyrate,ethyl 2-[4-(1-hydroxyethyl)phenoxy]-2-methylpropanoate,CCOC(=O)C(C)(C)Oc1ccc(cc1)C(C)O,CCOC(=O)C(C)(C)Oc1ccc(cc1)C(C)O,"InChI=1/C14H20O4/c1-5-17-13(16)14(3,4)18-12-8-6-11(7-9-12)10(2)15/h6-10,15H,5H2,1-4H3",C14H20O4,,,,,,YDTWAGLILFSFFY-UHFFFAOYSA-N,,,,,,,,,,,
100.052.446,257-709-5,52179-28-9,"Ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionate","ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate",CCOC(=O)C(C)(C)Oc1ccc(cc1)C2CC2(Cl)Cl,CCOC(=O)C(C)(C)Oc1ccc(cc1)C2CC2(Cl)Cl,"InChI=1/C15H18Cl2O3/c1-4-19-13(18)14(2,3)20-11-7-5-10(6-8-11)12-9-15(12,16)17/h5-8,12H,4,9H2,1-3H3",C15H18Cl2O3,,,,,,UHYJTDLWNOQAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.017,278-141-4,75219-49-7,Allyl tetraethyldiamidophosphate,"allyl N,N,N',N'-tetraethyldiamidophosphate",CCN(CC)P(=O)(OCC=C)N(CC)CC,CCN(CC)P(=O)(OCC=C)N(CC)CC,"InChI=1/C11H25N2O2P/c1-6-11-15-16(14,12(7-2)8-3)13(9-4)10-5/h6H,1,7-11H2,2-5H3",C11H25N2O2P,,,,,,NZRFSLMXTFGVGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.018,280-343-2,83249-74-5,"1-[[2,5-dimethyl-4-[(dimethylphenyl)azo]phenyl]azo]-2-naphthol","1-({4-[(2,3-dimethylphenyl)diazenyl]-2,5-dimethylphenyl}diazenyl)-2-naphthol",Cc4cccc(N=Nc1cc(C)c(cc1C)N=Nc2c3ccccc3ccc2O)c4C,Cc4cccc(N=Nc1cc(C)c(cc1C)N=Nc2c3ccccc3ccc2O)c4C,"InChI=1/C26H24N4O/c1-16-8-7-11-22(19(16)4)27-28-23-14-18(3)24(15-17(23)2)29-30-26-21-10-6-5-9-20(21)12-13-25(26)31/h5-15,31H,1-4H3",C26H24N4O,,,,,,LMAQBBUCPSMBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.019,280-344-8,83249-75-6,1-[[4-[(dimethylphenyl)azo]phenyl]azo]-2-naphthol,"1-({4-[(2,3-dimethylphenyl)diazenyl]phenyl}diazenyl)-2-naphthol",Cc4cccc(N=Nc1ccc(cc1)N=Nc2c3ccccc3ccc2O)c4C,Cc4cccc(N=Nc1ccc(cc1)N=Nc2c3ccccc3ccc2O)c4C,"InChI=1/C24H20N4O/c1-16-6-5-9-22(17(16)2)27-25-19-11-13-20(14-12-19)26-28-24-21-8-4-3-7-18(21)10-15-23(24)29/h3-15,29H,1-2H3",C24H20N4O,,,,,,GWLFIRIFNHECNX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.024,280-350-0,83266-79-9,Sodium 3-amino-4-hydroxybenzenesulphonate,sodium 3-amino-4-hydroxybenzenesulfonate,[Na+].Nc1cc(ccc1O)S(=O)(=O)[O-],[Na+].Nc1cc(ccc1O)S(=O)(=O)[O-],"InChI=1/C6H7NO4S.Na/c7-5-3-4(12(9,10)11)1-2-6(5)8;/h1-3,8H,7H2,(H,9,10,11);/q;+1/p-1",C6H7NO4S.Na,,,,,,GQBQLGGDDPZCKH-UHFFFAOYSA-M,,,,,,,,,,,
100.073.218,280-562-3,83721-33-9,"2-[2-[[5,6-dimethyl-3-[3-(sulphonatooxy)propyl]-3H-benzothiazol-2-ylidene]methyl]-1-butenyl]-1-ethylnaphtho[1,2-d]thiazolium","3-[2-{2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium-2-yl)methylene]butylidene}-5,6-dimethyl-1,3-benzothiazol-3(2H)-yl]propyl sulfate",CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2Sc1cc(C)c(C)cc1N2CCCOS([O-])(=O)=O,CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2Sc1cc(C)c(C)cc1N2CCCOS([O-])(=O)=O,"InChI=1/C30H32N2O4S3/c1-5-22(18-28-31(6-2)30-24-11-8-7-10-23(24)12-13-26(30)37-28)19-29-32(14-9-15-36-39(33,34)35)25-16-20(3)21(4)17-27(25)38-29/h7-8,10-13,16-19H,5-6,9,14-15H2,1-4H3",C30H32N2O4S3,,,,,,YPAKGQWVNWDBAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.225,280-570-7,83721-44-2,N-[3-(dimethylamino)propyl]palmitamide phosphate,N-[3-(dimethylamino)propyl]hexadecanamide phosphate,CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.OP(=O)(O)O,"InChI=1/C21H44N2O.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3;1-5(2,3)4/h4-20H2,1-3H3,(H,22,24);(H3,1,2,3,4)",C21H44N2O.xH3O4P,,,,,,LYLHCMPPGKXRFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.231,280-577-5,83721-50-0,"Disodium 6-methyl-2'-[4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]phenyl][2,6'-bibenzothiazole]-7-sulphonate","disodium 6-methyl-2'-(4-{[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]diazenyl}phenyl)-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c2c(C)ccc1nc(sc12)c3ccc(cc3)N=Nc4ccc(cc4)c5nc6ccc(cc6s5)c7nc8ccc(C)c(c8s7)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c2c(C)ccc1nc(sc12)c3ccc(cc3)N=Nc4ccc(cc4)c5nc6ccc(cc6s5)c7nc8ccc(C)c(c8s7)S([O-])(=O)=O,"InChI=1/C35H23N5O6S5.2Na/c1-18-3-14-26-29(31(18)50(41,42)43)48-34(37-26)21-7-12-24(13-8-21)40-39-23-10-5-20(6-11-23)33-36-25-16-9-22(17-28(25)47-33)35-38-27-15-4-19(2)32(30(27)49-35)51(44,45)46;;/h3-17H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C35H23N5O6S5.2Na,,,,,,NOUMQKJCTQAWFR-UHFFFAOYSA-L,,,,,,,,,,,
100.073.235,280-581-7,83721-55-5,"3-chloro-N-[5-[(4-chlorobenzoyl)amino]-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthryl]benzamide","3-chloro-N-{5-[(4-chlorobenzoyl)amino]-4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl}benzamide",Oc1ccc(NC(=O)c2ccc(Cl)cc2)c3C(=O)c4c(O)ccc(NC(=O)c5cccc(Cl)c5)c4C(=O)c13,Oc1ccc(NC(=O)c2ccc(Cl)cc2)c3C(=O)c4c(O)ccc(NC(=O)c5cccc(Cl)c5)c4C(=O)c13,"InChI=1/C28H16Cl2N2O6/c29-15-6-4-13(5-7-15)27(37)31-17-8-10-19(33)23-21(17)25(35)24-20(34)11-9-18(22(24)26(23)36)32-28(38)14-2-1-3-16(30)12-14/h1-12,33-34H,(H,31,37)(H,32,38)",C28H16Cl2N2O6,,,,,,VSVIXEIZLUKQCE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.236,280-582-2,83721-56-6,"N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[4-chlorobenzamide]","N,N'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(4-chlorobenzamide)",Oc1ccc(NC(=O)c2ccc(Cl)cc2)c3C(=O)c4c(O)ccc(NC(=O)c5ccc(Cl)cc5)c4C(=O)c13,Oc1ccc(NC(=O)c2ccc(Cl)cc2)c3C(=O)c4c(O)ccc(NC(=O)c5ccc(Cl)cc5)c4C(=O)c13,"InChI=1/C28H16Cl2N2O6/c29-15-5-1-13(2-6-15)27(37)31-17-9-11-19(33)23-21(17)25(35)24-20(34)12-10-18(22(24)26(23)36)32-28(38)14-3-7-16(30)8-4-14/h1-12,33-34H,(H,31,37)(H,32,38)",C28H16Cl2N2O6,,,,,,RYLATRFYKZMNMK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.243,280-590-6,83721-63-5,"N-[4-amino-3-[[[(1-amino-9,10-dihydro-9,10-dioxo-2-anthryl)methylene]hydrazono]methyl]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-(4-amino-3-{[(1-amino-9,10-dioxo-9,10-dihydroanthracen-2-yl)methylene]carbonohydrazonoyl}-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",O=C6c5ccc(C=NN=Cc4cc(NC(=O)c1ccccc1)c3C(=O)c2ccccc2C(=O)c3c4N)c(N)c5C(=O)c7ccccc67,O=C6c5ccc(C=NN=Cc4cc(NC(=O)c1ccccc1)c3C(=O)c2ccccc2C(=O)c3c4N)c(N)c5C(=O)c7ccccc67,"InChI=1/C37H23N5O5/c38-31-20(14-15-26-28(31)34(44)23-11-5-4-10-22(23)33(26)43)17-40-41-18-21-16-27(42-37(47)19-8-2-1-3-9-19)29-30(32(21)39)36(46)25-13-7-6-12-24(25)35(29)45/h1-18H,38-39H2,(H,42,47)",C37H23N5O5,,,,,,MPCJTVKCXGFKRM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.110,282-648-6,84282-02-0,Dieuropium pentachloride,dieuropium pentachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Eu+2].[Eu+2],[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Eu+2].[Eu+2],InChI=1/5ClH.2Eu/h5*1H;;/q;;;;;2*+2/p-5,Cl5Eu2,,,,,,SROMTTXYAWOPNW-UHFFFAOYSA-I,,,,,,,,,,,
100.046.443,251-103-4,32573-57-2,"Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato-O3,O4)zinc","zinc bis(3-acetyl-6-methyl-2-oxo-3,4-dihydro-2H-pyran-4-olate) (non-preferred name)",CC(=O)C1C(O[Zn]OC2C=C(C)OC(=O)C2C(=O)C)C=C(C)OC1=O,CC(=O)C1C(O[Zn]OC2C=C(C)OC(=O)C2C(=O)C)C=C(C)OC1=O,"InChI=1/2C8H9O4.Zn/c2*1-4-3-6(10)7(5(2)9)8(11)12-4;/h2*3,6-7H,1-2H3;/q2*-1;+2/rC16H18O8Zn/c1-7-5-11(13(9(3)17)15(19)21-7)23-25-24-12-6-8(2)22-16(20)14(12)10(4)18/h5-6,11-14H,1-4H3",C16H14O8Zn,,,,,,BDABSHLZSYWPTA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.449,251-110-2,32582-32-4,2-tetradecyloctadecan-1-ol,2-tetradecyloctadecan-1-ol,CCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCC,"InChI=1/C32H66O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32(31-33)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3",C32H66O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12081,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.449,RTXVDAJGIYOHFY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.454,251-116-5,32588-54-8,"2-(1,1-dimethylpropyl)anthraquinone","2-(1,1-dimethylpropyl)-9,10-anthraquinone",CCC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1,CCC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C19H18O2/c1-4-19(2,3)12-9-10-15-16(11-12)18(21)14-8-6-5-7-13(14)17(15)20/h5-11H,4H2,1-3H3",C19H18O2,,,,,,WUKWGUZTPMOXOW-UHFFFAOYSA-N,,,,,,,,,,,
100.076.048,283-684-5,84696-77-5,9-(4-cyclooctenyl)-9-phosphabicyclo[3.3.1]nonane,9-cyclooct-4-en-1-yl-9-phosphabicyclo[3.3.1]nonane,C1CC=CCCC(C1)P2C3CCCC2CCC3,C1CC=CCCC(C1)P2C3CCCC2CCC3,"InChI=1/C16H27P/c1-2-4-8-14(9-5-3-1)17-15-10-6-11-16(17)13-7-12-15/h1-2,14-16H,3-13H2",C16H27P,,,,,,TZKKHWADVUYAHG-UPHRSURJSA-N,,,,,,,,,,,
100.076.053,283-689-2,84696-82-2,Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate,ethyl 3-ethyl-3-hydroxy-2-methylnonanoate,CCCCCCC(O)(CC)C(C)C(=O)OCC,CCCCCCC(O)(CC)C(C)C(=O)OCC,"InChI=1/C14H28O3/c1-5-8-9-10-11-14(16,6-2)12(4)13(15)17-7-3/h12,16H,5-11H2,1-4H3",C14H28O3,,,,,,OYUIXKXWTCGKRH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.054,283-690-8,84696-83-3,"1,2-dimethylpropyl 2-methylbutyrate","1,2-dimethylpropyl 2-methylbutanoate",CCC(C)C(=O)OC(C)C(C)C,CCC(C)C(=O)OC(C)C(C)C,"InChI=1/C10H20O2/c1-6-8(4)10(11)12-9(5)7(2)3/h7-9H,6H2,1-5H3",C10H20O2,,,,,,AVTPHFBHRSGVRP-UHFFFAOYSA-N,,,,,,,,,,,
100.076.067,283-704-2,84696-96-8,"5-[1,3-dihydro-1,3-dimethyl-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-4-oxo-a-phenyl-2-thioxothiazolidin-3-acetic acid","{5-[1,3-dimethyl-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}(phenyl)acetic acid",O=C(O)C(N1C(=O)C(SC1=S)=C3N(C)c2ccc(cc2N3C)C(F)(F)F)c4ccccc4,O=C(O)C(N1C(=O)C(SC1=S)=C3N(C)c2ccc(cc2N3C)C(F)(F)F)c4ccccc4,"InChI=1/C21H16F3N3O3S2/c1-25-13-9-8-12(21(22,23)24)10-14(13)26(2)17(25)16-18(28)27(20(31)32-16)15(19(29)30)11-6-4-3-5-7-11/h3-10,15H,1-2H3,(H,29,30)",C21H16F3N3O3S2,,,,,,TXKRNJGBKZJYCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.071,283-708-4,84697-00-7,Tripotassium hydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,tripotassium hydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[K+].[K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.3K/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4",C4H13NO7P2.3K,,,,,,ROUGECCBHRZZBB-UHFFFAOYSA-J,,,,,,,,,,,
100.076.072,283-710-5,84697-01-8,Tetrapotassium [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,tetrapotassium {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[K+].[K+].[K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.4K/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4",C4H13NO7P2.4K,,,,,,GVYQKBLTSYFXGI-UHFFFAOYSA-J,,,,,,,,,,,
100.076.073,283-711-0,84697-02-9,"2,3-dichloro-6-hydroxybenzenesulphonic acid","2,3-dichloro-6-hydroxybenzenesulfonic acid",Oc1ccc(Cl)c(Cl)c1S(=O)(=O)O,Oc1ccc(Cl)c(Cl)c1S(=O)(=O)O,"InChI=1/C6H4Cl2O4S/c7-3-1-2-4(9)6(5(3)8)13(10,11)12/h1-2,9H,(H,10,11,12)",C6H4Cl2O4S,,,,,,FSTQUJXSIMAQQI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.498,257-766-6,52235-20-8,2-[(tert-butyl)azo]-2-methylbutyronitrile,2-(tert-butyldiazenyl)-2-methylbutanenitrile,CC(C#N)(CC)N=NC(C)(C)C,CC(C#N)(CC)N=NC(C)(C)C,"InChI=1/C9H17N3/c1-6-9(5,7-10)12-11-8(2,3)4/h6H2,1-5H3",C9H17N3,,,,,,JZDHUYKBYNFYAB-UHFFFAOYSA-N,,,,,,,,,,,
100.053.126,258-457-9,53279-72-4,"3-hydroxy-2,4,6-triiodobenzoic acid","3-hydroxy-2,4,6-triiodobenzoic acid",OC(=O)c1c(I)cc(I)c(O)c1I,OC(=O)c1c(I)cc(I)c(O)c1I,"InChI=1/C7H3I3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,(H,12,13)",C7H3I3O3,,,,,,GIAVHGFPMPSIFI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.130,258-462-6,53285-61-3,Sodium [(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]acetate,sodium [(7-hydroxy-4-methyl-2-oxo-2H-chromen-6-yl)oxy]acetate,[Na+].CC1=CC(=O)Oc2cc(O)c(OCC(=O)[O-])cc12,[Na+].CC1=CC(=O)Oc2cc(O)c(OCC(=O)[O-])cc12,"InChI=1/C12H10O6.Na/c1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1",C12H10O6.Na,,,,,,UTRDATDGJKWVBG-UHFFFAOYSA-M,,,,,,,,,,,
100.053.131,258-463-1,53298-29-6,2-mesylethyl chloroformate,2-(methylsulfonyl)ethyl chlorocarbonate,CS(=O)(=O)CCOC(=O)Cl,CS(=O)(=O)CCOC(=O)Cl,"InChI=1/C4H7ClO4S/c1-10(7,8)3-2-9-4(5)6/h2-3H2,1H3",C4H7ClO4S,,,,,,KRGWSYPAFWHXQI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.368,269-727-0,68310-67-8,4-[2-[(2-cyanoethyl)amino]ethyl]piperazine-1-propiononitrile,3-(4-{2-[(2-cyanoethyl)amino]ethyl}piperazin-1-yl)propanenitrile,N#CCCNCCN1CCN(CCC#N)CC1,N#CCCNCCN1CCN(CCC#N)CC1,"InChI=1/C12H21N5/c13-3-1-5-15-6-8-17-11-9-16(10-12-17)7-2-4-14/h15H,1-2,5-12H2",C12H21N5,,,,,,QMRVFUMUYZCMJR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.251,275-099-9,70994-18-2,"12-aminododeca-4,8-dienoic acid","12-aminododeca-4,8-dienoic acid",OC(=O)CCC=CCCC=CCCCN,OC(=O)CCC=CCCC=CCCCN,"InChI=1/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h3-6H,1-2,7-11,13H2,(H,14,15)",C12H21NO2,,,,,,DBYBTIHLLFVDFH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.255,275-103-9,71002-15-8,"Disodium 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl]azo]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulphonate","disodium 4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-6-{[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino}benzene-1,3-disulfonate",[Na+].[Na+].O=C4/C(=C(/C)\\C(\\N=Nc3cc(Nc2nc(Cl)nc(Oc1ccc(CCCCCCCCC)cc1)n2)c(cc3S([O-])(=O)=O)S([O-])(=O)=O)=C(\\O)N4CC)C(N)=O,[Na+].[Na+].O=C4/C(=C(/C)\C(\N=Nc3cc(Nc2nc(Cl)nc(Oc1ccc(CCCCCCCCC)cc1)n2)c(cc3S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N4CC)C(N)=O,"InChI=1/C33H39ClN8O10S2.2Na/c1-4-6-7-8-9-10-11-12-20-13-15-21(16-14-20)52-33-38-31(34)37-32(39-33)36-22-17-23(25(54(49,50)51)18-24(22)53(46,47)48)40-41-27-19(3)26(28(35)43)29(44)42(5-2)30(27)45;;/h13-18,45H,4-12H2,1-3H3,(H2,35,43)(H,46,47,48)(H,49,50,51)(H,36,37,38,39);;/q;2*+1/p-2",C33H39ClN8O10S2.2Na,,,,,,XCHSMNFDVJVIMF-UHFFFAOYSA-L,,,,,,,,,,,
100.068.256,275-104-4,71002-16-9,"1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-, tetrasodium salt","tetrasodium 1-[3-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-methyl-5-sulfonatophenyl]-4-{[4-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc7ccc(N=NC6\\C(=N/N(c5cc(cc(Nc4nc(Nc3ccc(cc3)S([O-])(=O)=O)nc(Cl)n4)c5C)S([O-])(=O)=O)C6=O)C([O-])=O)c(c7)S(O)(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc7ccc(N=NC6\C(=N/N(c5cc(cc(Nc4nc(Nc3ccc(cc3)S([O-])(=O)=O)nc(Cl)n4)c5C)S([O-])(=O)=O)C6=O)C([O-])=O)c(c7)S(O)(=O)=O,"InChI=1/C35H26Cl2N14O15S4.4Na/c1-15-23(41-35-45-31(37)43-33(47-35)39-17-4-9-20(10-5-17)68(58,59)60)13-21(69(61,62)63)14-24(15)51-28(52)26(27(50-51)29(53)54)49-48-22-11-6-18(12-25(22)70(64,65)66)40-34-44-30(36)42-32(46-34)38-16-2-7-19(8-3-16)67(55,56)57;;;;/h2-14,26H,1H3,(H,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,38,40,42,44,46)(H2,39,41,43,45,47);;;;/q;4*+1/p-4",C35H26Cl2N14O15S4.4Na,,,,,,WEEZPKPTHXXCDK-UHFFFAOYSA-J,,,,,,,,,,,
100.077.488,285-267-3,85049-94-1,"1-heptadec-8-enyl 23-octadecyl 3-[(heptadec-8-enyloxy)carbonyl]-3,12,21-trihydroxy-8,17-dimethyl-12,21-bis[(octadecyloxy)carbonyl]-5,10,14,19-tetraoxo-6,9,15,18-tetraoxatricosanedioate",-,CCCCCCCCC=CCCCCCCCOC(=O)C(O)(CC(=O)OCCCCCCCC=CCCCCCCCC)CC(=O)OCC(C)OC(=O)CC(O)(CC(=O)OCC(C)OC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCC=CCCCCCCCOC(=O)C(O)(CC(=O)OCCCCCCCC=CCCCCCCCC)CC(=O)OCC(C)OC(=O)CC(O)(CC(=O)OCC(C)OC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C112H204O21/c1-8-13-18-23-28-33-38-43-48-53-57-62-67-72-77-82-87-126-102(114)92-111(123,108(120)128-89-84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-2)95-105(117)132-100(7)98-131-104(116)94-112(124,109(121)129-90-85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-3)96-106(118)133-99(6)97-130-103(115)93-110(122,107(119)127-88-83-78-73-68-63-58-52-47-42-37-32-27-22-17-12-5)91-101(113)125-86-81-76-71-66-61-56-51-46-41-36-31-26-21-16-11-4/h46-47,51-52,99-100,122-124H,8-45,48-50,53-98H2,1-7H3",C112H204O21,,,,,,DSLLWPUAZZASBV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.493,285-273-6,85049-99-6,3-cyclohexyl-5-[4-(3-ethylbenzothiazol-2(3H)-ylidene)-1-methylbut-2-enylidene]-2-thioxothiazolidin-4-one,"3-cyclohexyl-5-[4-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1-methylbut-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one",O=C2N(C1CCCCC1)C(=S)SC2=C(C)C=CC=C4Sc3ccccc3N4CC,O=C2N(C1CCCCC1)C(=S)SC2=C(C)C=CC=C4Sc3ccccc3N4CC,"InChI=1/C23H26N2OS3/c1-3-24-18-13-7-8-14-19(18)28-20(24)15-9-10-16(2)21-22(26)25(23(27)29-21)17-11-5-4-6-12-17/h7-10,13-15,17H,3-6,11-12H2,1-2H3",C23H26N2OS3,,,,,,PSKSUZATVUPWJN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.622,279-908-6,82142-16-3,2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium thiocyanate,"2-{[4-(dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium thiocyanate",[S-]C#N.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[S-]C#N.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C17H19N4OS.CHNS/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;2-1-3/h5-11H,1-4H3;3H/q+1;/p-1",C17H19N4OS.CNS,,,,,,GLQVNFIZOIEXCZ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.255,281-706-8,84012-65-7,N-nitroso-N-[(tributylstannyl)oxy]cyclohexylamine,N-nitroso-N-[(tributylstannyl)oxy]cyclohexanamine,CCCC[Sn](CCCC)(CCCC)ON(N=O)C1CCCCC1,CCCC[Sn](CCCC)(CCCC)ON(N=O)C1CCCCC1,"InChI=1/C6H11N2O2.3C4H9.Sn/c9-7-8(10)6-4-2-1-3-5-6;3*1-3-4-2;/h6H,1-5H2;3*1,3-4H2,2H3;/q-1;;;;+1/rC18H38N2O2Sn/c1-4-7-15-23(16-8-5-2,17-9-6-3)22-20(19-21)18-13-11-10-12-14-18/h18H,4-17H2,1-3H3",C18H38N2O2Sn,,,,,,RPRGWCUJWYPAQR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.023,278-148-2,75238-79-8,N-ethylcarbazole-3-carbaldehyde benzylphenylhydrazone,3-[benzyl(phenyl)carbonohydrazonoyl]-9-ethyl-9H-carbazole,CCn5c1ccccc1c4cc(C=NN(Cc2ccccc2)c3ccccc3)ccc45,CCn5c1ccccc1c4cc(C=NN(Cc2ccccc2)c3ccccc3)ccc45,"InChI=1/C28H25N3/c1-2-30-27-16-10-9-15-25(27)26-19-23(17-18-28(26)30)20-29-31(24-13-7-4-8-14-24)21-22-11-5-3-6-12-22/h3-20H,2,21H2,1H3",C28H25N3,,,,,,RPHJRJPXKZMFFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.028,278-154-5,75268-65-4,"Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[[4-[(2-chloro-5-sulphonatophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]benzenesulphonate","disodium 2-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-4-({4-[(2-chloro-5-sulfonatophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)benzenesulfonate",[Na+].[Na+].O=C4/C(=C(/C)\\C(\\N=Nc3cc(Nc2nc(F)nc(Nc1cc(ccc1Cl)S([O-])(=O)=O)n2)ccc3S([O-])(=O)=O)=C(\\O)N4CC)C(N)=O,[Na+].[Na+].O=C4/C(=C(/C)\C(\N=Nc3cc(Nc2nc(F)nc(Nc1cc(ccc1Cl)S([O-])(=O)=O)n2)ccc3S([O-])(=O)=O)=C(\O)N4CC)C(N)=O,"InChI=1/C24H21ClFN9O9S2.2Na/c1-3-35-20(37)17(19(27)36)10(2)18(21(35)38)34-33-15-8-11(4-7-16(15)46(42,43)44)28-23-30-22(26)31-24(32-23)29-14-9-12(45(39,40)41)5-6-13(14)25;;/h4-9,38H,3H2,1-2H3,(H2,27,36)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;/q;2*+1/p-2",C24H21ClFN9O9S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18208,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.028,PNWNICPUDRQZQK-UHFFFAOYSA-L,,,,,,,,,,,
100.071.029,278-155-0,75268-66-5,"Disodium 6-[[4-[[3-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-sulphonatophenyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]naphthalene-2-sulphonate","disodium 6-{[4-({3-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-4-sulfonatophenyl}amino)-6-fluoro-1,3,5-triazin-2-yl]amino}naphthalene-2-sulfonate",[Na+].[Na+].O=C5/C(=C(/C)\\C(\\N=Nc4cc(Nc3nc(F)nc(Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)n3)ccc4S([O-])(=O)=O)=C(\\O)N5CC)C(N)=O,[Na+].[Na+].O=C5/C(=C(/C)\C(\N=Nc4cc(Nc3nc(F)nc(Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)n3)ccc4S([O-])(=O)=O)=C(\O)N5CC)C(N)=O,"InChI=1/C28H24FN9O9S2.2Na/c1-3-38-24(40)21(23(30)39)13(2)22(25(38)41)37-36-19-12-17(7-9-20(19)49(45,46)47)32-28-34-26(29)33-27(35-28)31-16-6-4-15-11-18(48(42,43)44)8-5-14(15)10-16;;/h4-12,41H,3H2,1-2H3,(H2,30,39)(H,42,43,44)(H,45,46,47)(H2,31,32,33,34,35);;/q;2*+1/p-2",C28H24FN9O9S2.2Na,,,,,,QRRMNYQOUJLDBL-UHFFFAOYSA-L,,,,,,,,,,,
100.071.030,278-156-6,75268-67-6,"Disodium 8-[[5-(benzoylamino)-2-sulphonatophenyl]azo]-1-[(2-chlorophenyl)amino]-9-hydroxy-2-pentyl-1H-naphth[1,2-d]imidazole-7-sulphonate","disodium 8-{[5-(benzoylamino)-2-sulfonatophenyl]diazenyl}-1-[(2-chlorophenyl)amino]-9-hydroxy-2-pentyl-1H-naphtho[1,2-d]imidazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c6ccc(NC(=O)c1ccccc1)cc6N=Nc2c(O)c5c(cc2S([O-])(=O)=O)ccc4nc(CCCCC)n(Nc3ccccc3Cl)c45,[Na+].[Na+].[O-]S(=O)(=O)c6ccc(NC(=O)c1ccccc1)cc6N=Nc2c(O)c5c(cc2S([O-])(=O)=O)ccc4nc(CCCCC)n(Nc3ccccc3Cl)c45,"InChI=1/C35H31ClN6O8S2.2Na/c1-2-3-5-14-30-38-26-17-15-22-19-29(52(48,49)50)32(34(43)31(22)33(26)42(30)41-25-13-9-8-12-24(25)36)40-39-27-20-23(16-18-28(27)51(45,46)47)37-35(44)21-10-6-4-7-11-21;;/h4,6-13,15-20,41,43H,2-3,5,14H2,1H3,(H,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C35H31ClN6O8S2.2Na,,,,,,SJPWTQZDRKAGOG-UHFFFAOYSA-L,,,,,,,,,,,
100.071.034,278-160-8,75268-73-4,Trisodium 5-[[4-[[3-[[[[4-[(3-carboxylato-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]amino]benzoyl]amino]-5-methoxy-2-tolyl]azo]-3-sulphonatosalicylate,trisodium 5-{[4-({3-[({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)amino]benzoyl}amino)-5-methoxy-2-methylphenyl]diazenyl}-2-hydroxy-3-sulfonatobenzoate,[Na+].[Na+].[Na+].COc5cc(N=Nc1cc(C([O-])=O)c(O)c(c1)S([O-])(=O)=O)c(C)cc5NC(=O)c4cccc(NC(=O)Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)c4,[Na+].[Na+].[Na+].COc5cc(N=Nc1cc(C([O-])=O)c(O)c(c1)S([O-])(=O)=O)c(C)cc5NC(=O)c4cccc(NC(=O)Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)c4,"InChI=1/C36H29N7O12S.3Na/c1-18-12-28(30(55-2)17-27(18)43-42-24-15-26(35(49)50)32(45)31(16-24)56(52,53)54)39-33(46)19-4-3-5-22(13-19)38-36(51)37-20-6-8-21(9-7-20)40-41-23-10-11-29(44)25(14-23)34(47)48;;;/h3-17,44-45H,1-2H3,(H,39,46)(H,47,48)(H,49,50)(H2,37,38,51)(H,52,53,54);;;/q;3*+1/p-3",C36H29N7O12S.3Na,,,,,,QWMPIFXPNIHCQH-UHFFFAOYSA-K,,,,,,,,,,,
100.046.377,251-031-3,32425-62-0,"4-[5-[3-carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-{5-[3-carboxy-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)c1ccc(cc1)n4nc(C(O)=O)c(C=CC=CC=C3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c4O,OS(=O)(=O)c1ccc(cc1)n4nc(C(O)=O)c(C=CC=CC=C3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c4O,"InChI=1/C25H18N4O12S2/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41/h1-13,30H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41)",C25H18N4O12S2,,,,,,TZPWPQHXYQGSRG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.386,251-041-8,32438-31-6,"(2,2-diethoxyethoxy)benzene","(2,2-diethoxyethoxy)benzene",CCOC(COc1ccccc1)OCC,CCOC(COc1ccccc1)OCC,"InChI=1/C12H18O3/c1-3-13-12(14-4-2)10-15-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3",C12H18O3,,,,,,IISGAJPGMKEIAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.392,251-048-6,32447-90-8,Dextilidine,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2,"InChI=1/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3",C17H23NO2,,,,,,WDEFBBTXULIOBB-WBVHZDCISA-N,,,,,,,,,,,
100.075.111,282-649-1,84282-03-1,"4,4'-carbonimidoylbis[N,N-diethylaniline] acetate","4,4'-carbonimidoylbis(N,N-diethylaniline) acetate",CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC.CC(=O)O,CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC.CC(=O)O,"InChI=1/C21H29N3.C2H4O2/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4;1-2(3)4/h9-16,22H,5-8H2,1-4H3;1H3,(H,3,4)",C21H29N3.C2H4O2,,,,,,QXMJDYCIJYZKQH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.626,285-418-3,85098-67-5,"2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one, potassium salt",-,[K+].COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NNC4=O,[K+].COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NNC4=O,"InChI=1/C19H21N5O2.K/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)15-2-4-17(5-3-15)24-14-20-21-19(24)25;/h2-9,14H,10-13H2,1H3,(H,21,25);/q;+1",C19H21N5O2.K,,,,,,CAMAXMXFRVQHJT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.630,285-423-0,85098-71-1,2-amino-N-(2-chloroethyl)benzamide,2-amino-N-(2-chloroethyl)benzamide,Nc1ccccc1C(=O)NCCCl,Nc1ccccc1C(=O)NCCCl,"InChI=1/C9H11ClN2O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,11H2,(H,12,13)",C9H11ClN2O,,,,,,YRIMPZJCTLXZAA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.633,285-426-7,85098-74-4,Methyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate,methyl 4-anilino-4-cyanopiperidine-1-carboxylate,COC(=O)N1CCC(CC1)(Nc2ccccc2)C#N,COC(=O)N1CCC(CC1)(Nc2ccccc2)C#N,"InChI=1/C14H17N3O2/c1-19-13(18)17-9-7-14(11-15,8-10-17)16-12-5-3-2-4-6-12/h2-6,16H,7-10H2,1H3",C14H17N3O2,,,,,,WKHDYDFEGPPPPT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.183,278-324-9,75839-68-8,[(dodecyloxy)methyl]-tris(2-hydroxyethyl)ammonium chloride,"N-[(dodecyloxy)methyl]-2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium chloride",[Cl-].CCCCCCCCCCCCOC[N+](CCO)(CCO)CCO,[Cl-].CCCCCCCCCCCCOC[N+](CCO)(CCO)CCO,"InChI=1/C19H42NO4.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-24-19-20(12-15-21,13-16-22)14-17-23;/h21-23H,2-19H2,1H3;1H/q+1;/p-1",C19H42NO4.Cl,,,,,,WMEYDVWXPJVRMC-UHFFFAOYSA-M,,,,,,,,,,,
100.071.184,278-325-4,75853-20-2,"2,5-difluorobenzyl alcohol","(2,5-difluorophenyl)methanol",OCc1cc(F)ccc1F,OCc1cc(F)ccc1F,"InChI=1/C7H6F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2",C7H6F2O,,,,,,KIKCAPPVFQLOIU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.197,278-340-6,75908-73-5,2-(4-fluorophenyl)propionic acid,2-(4-fluorophenyl)propanoic acid,CC(C(=O)O)c1ccc(F)cc1,CC(C(=O)O)c1ccc(F)cc1,"InChI=1/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)",C9H9FO2,,,,,,IXSCGBODJGIJNN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.199,278-342-7,75908-85-9,2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl isobutyrate,2-[(2-cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl 2-methylpropanoate,CC(C)C(=O)OCCN(CCC#N)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2,CC(C)C(=O)OCCN(CCC#N)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2,"InChI=1/C21H23N5O4/c1-16(2)21(27)30-15-14-25(13-3-12-22)19-8-4-17(5-9-19)23-24-18-6-10-20(11-7-18)26(28)29/h4-11,16H,3,13-15H2,1-2H3",C21H23N5O4,,,,,,FUPDULJPZHOYCR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.207,278-351-6,75966-17-5,Disodium 4-acetamidophenyl phosphate,disodium 4-acetamidophenyl phosphate,[Na+].[Na+].CC(=O)Nc1ccc(OP(=O)([O-])[O-])cc1,[Na+].[Na+].CC(=O)Nc1ccc(OP(=O)([O-])[O-])cc1,"InChI=1/C8H10NO5P.2Na/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;;/h2-5H,1H3,(H,9,10)(H2,11,12,13);;/q;2*+1/p-2",C8H10NO5P.2Na,,,,,,ZDUWZCWKBAGDSL-UHFFFAOYSA-L,,,,,,,,,,,
100.071.211,278-355-8,75980-60-8,"Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide",(mesitylcarbonyl)(diphenyl)phosphine oxide,Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c3ccccc3)c(C)c1,Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c3ccccc3)c(C)c1,"InChI=1/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3",C22H21O2P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13110,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.211,VFHVQBAGLAREND-UHFFFAOYSA-N,,,,,,,,,,,
100.071.212,278-356-3,75983-36-7,"4,8-dimethyldecanal","4,8-dimethyldecanal",CCC(C)CCCC(C)CCC=O,CCC(C)CCCC(C)CCC=O,"InChI=1/C12H24O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h10-12H,4-9H2,1-3H3",C12H24O,,,,,,XAUQKOJHYTYNRM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.215,278-360-5,76014-78-3,"[3-benzofuro[2,3-c][1]benzoxepin-12(6H)-ylidenepropyl]dimethylammonium hydrogen fumarate","3-[1]benzofuro[2,3-c][1]benzoxepin-12(6H)-ylidene-N,N-dimethylpropan-1-aminium hydrogen but-2-enedioate",[H+].[O-]C(=O)/C=C/C([O-])=O.C[NH+](C)CCC=C1c4ccccc4OCc2oc3ccccc3c12,[H+].[O-]C(=O)/C=C/C([O-])=O.C[NH+](C)CCC=C1c4ccccc4OCc2oc3ccccc3c12,"InChI=1/C21H21NO2.C4H4O4.H2/c1-22(2)13-7-10-16-15-8-3-5-11-18(15)23-14-20-21(16)17-9-4-6-12-19(17)24-20;5-3(6)1-2-4(7)8;/h3-6,8-12H,7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8);1H/q;;+1/p-1",C21H21NO2.C4H4O4,,,,,,CGCXMZJMRNPIRE-WLHGVMLRSA-N,,,,,,,,,,,
100.071.216,278-361-0,76019-86-8,1-cyclohexylpropan-2-ol,1-cyclohexylpropan-2-ol,CC(O)CC1CCCCC1,CC(O)CC1CCCCC1,"InChI=1/C9H18O/c1-8(10)7-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3",C9H18O,,,,,,HJUJYGDGYXVQCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.219,278-364-7,76034-19-0,Iron(2+) acrylate,iron(2+) diacrylate,[Fe+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Fe+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Fe/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Fe,,,,,,GNOZLGOOOBMHRC-UHFFFAOYSA-L,,,,,,,,,,,
100.073.031,280-357-9,83270-36-4,Bis(2-hydroxypropyl)ammonium myristate,2-hydroxy-N-(2-hydroxypropyl)propan-1-aminium myristate,CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH2+]CC(C)O,CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH2+]CC(C)O,"InChI=1/C14H28O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(8)3-7-4-6(2)9/h2-13H2,1H3,(H,15,16);5-9H,3-4H2,1-2H3",C14H28O2.C6H15NO2,,,,,,WPHZDLROOHEOOY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.132,258-464-7,53298-30-9,2-(methylsulphonyl)ethyl 4-nitrophenyl carbonate,2-(methylsulfonyl)ethyl 4-nitrophenyl carbonate,CS(=O)(=O)CCOC(=O)Oc1ccc(cc1)[N+](=O)[O-],CS(=O)(=O)CCOC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H11NO7S/c1-19(15,16)7-6-17-10(12)18-9-4-2-8(3-5-9)11(13)14/h2-5H,6-7H2,1H3",C10H11NO7S,,,,,,RRMVRASAASKOHS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.140,258-473-6,53314-64-0,Methylvinylphosphinic acid,methyl(vinyl)phosphinic acid,CP(=O)(O)C=C,CP(=O)(O)C=C,"InChI=1/C3H7O2P/c1-3-6(2,4)5/h3H,1H2,2H3,(H,4,5)",C3H7O2P,,,,,,ZNBYZIRVKBMNRF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.141,258-474-1,53314-66-2,"2-methyl-1,2-oxaphospholane 2-oxide","2-methyl-1,2-oxaphospholane 2-oxide",CP1(=O)CCCO1,CP1(=O)CCCO1,"InChI=1/C4H9O2P/c1-7(5)4-2-3-6-7/h2-4H2,1H3",C4H9O2P,,,,,,OSNNATVBPNXCAF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.145,258-478-3,53332-27-7,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-alanine, compound with cyclohexylamine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-alanine - cyclohexanamine (1:1),C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,"InChI=1/C15H18N2O4S.C6H13N/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3;7-6-4-2-1-3-5-6/h4-10,16H,1-3H3,(H,18,19);6H,1-5,7H2",C15H18N2O4S.C6H13N,,,,,,CZUBQNQWSOLSJH-PPHPATTJSA-N,,,,,,,,,,,
100.053.151,258-485-1,53332-87-9,"5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulphobutyl)-1H-benzimidazolium","5,6-dichloro-2-{3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-en-1-yl}-1-ethyl-3-(4-sulfobutyl)-2,3-dihydro-1H-3,1-benzimidazol-1-ium",OS(=O)(=O)CCCCN3c4cc(Cl)c(Cl)cc4[NH+](CC)C3C=CC=C2N(CC)c1cc(Cl)c(Cl)cc1N2CCCCS(O)(=O)=O,OS(=O)(=O)CCCCN3c4cc(Cl)c(Cl)cc4[NH+](CC)C3C=CC=C2N(CC)c1cc(Cl)c(Cl)cc1N2CCCCS(O)(=O)=O,"InChI=1/C29H36Cl4N4O6S2/c1-3-34-24-16-20(30)22(32)18-26(24)36(12-5-7-14-44(38,39)40)28(34)10-9-11-29-35(4-2)25-17-21(31)23(33)19-27(25)37(29)13-6-8-15-45(41,42)43/h9-11,16-19,28H,3-8,12-15H2,1-2H3,(H,38,39,40)(H,41,42,43)/p+1",C29H35Cl4N4O6S2,,,,,,DBMJQEHWZMGJTQ-UHFFFAOYSA-O,,,,,,,,,,,
100.053.156,258-490-9,53348-04-2,"9,10-phenanthrenediamine","phenanthrene-9,10-diamine",Nc1c(N)c2ccccc2c3ccccc13,Nc1c(N)c2ccccc2c3ccccc13,"InChI=1/C14H12N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,15-16H2",C14H12N2,,,,,,VPRFQZSTJXHBHL-UHFFFAOYSA-N,,,,,,,,,,,
100.053.158,258-493-5,53350-83-7,"2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazole trichlorozincate",-,CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4N3C)C(=O)Oc2c1.Cl[Zn-](Cl)Cl,CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4N3C)C(=O)Oc2c1.Cl[Zn-](Cl)Cl,"InChI=1/C22H25N3O2.3ClH.Zn/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;;;;/h7-14,21H,5-6H2,1-4H3;3*1H;/q;;;;+2/p-3/rC22H25N3O2.Cl3Zn/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;1-4(2)3/h7-14,21H,5-6H2,1-4H3;/q;-1",C22H24N3O2.Cl3Zn,,,,,,DYQABTKJBUEGLG-UHFFFAOYSA-K,,,,,,,,,,,
100.053.163,258-498-2,53363-96-5,Decyl isooctyl phthalate,decyl 6-methylheptyl phthalate,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,"InChI=1/C26H42O4/c1-4-5-6-7-8-9-10-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-11-12-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3",C26H42O4,,,,,,GMPAVBYNZCOKOX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.164,258-499-8,53369-17-8,"[1S-(1a,2a,5a)]-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol","(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methanol",CC1(C)C2CCC(CO)C1C2,CC1(C)C2CCC(CO)C1C2,"InChI=1/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3",C10H18O,,,,,,LDWAIHWGMRVEFR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.080,278-211-4,75444-64-3,Flumeridone,"5-chloro-1-{1-[3-(5-fluoro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one",Fc1ccc2N(CCCN3CCC(CC3)N4C(=O)Nc5cc(Cl)ccc45)C(=O)Nc2c1,Fc1ccc2N(CCCN3CCC(CC3)N4C(=O)Nc5cc(Cl)ccc45)C(=O)Nc2c1,"InChI=1/C22H23ClFN5O2/c23-14-2-4-20-17(12-14)26-22(31)29(20)16-6-10-27(11-7-16)8-1-9-28-19-5-3-15(24)13-18(19)25-21(28)30/h2-5,12-13,16H,1,6-11H2,(H,25,30)(H,26,31)",C22H23ClFN5O2,,,,,,CNBMQDMRPDUMDK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.094,278-227-1,75508-33-7,"Dipotassium 4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonate","dipotassium 2,2'-ethene-1,2-diylbis{5-[(4-hydroxyphenyl)diazenyl]benzenesulfonate}",[K+].[K+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,[K+].[K+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,"InChI=1/C26H20N4O8S2.2K/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C26H20N4O8S2.2K,,,,,,XISHMBOLIWABPM-ZFEDVODKSA-L,,,,,,,,,,,
100.071.098,278-231-3,75512-00-4,2-(phenylamino)acridin-9(10H)-one,2-anilinoacridin-9(10H)-one,O=C1c2ccccc2Nc3ccc(Nc4ccccc4)cc13,O=C1c2ccccc2Nc3ccc(Nc4ccccc4)cc13,"InChI=1/C19H14N2O/c22-19-15-8-4-5-9-17(15)21-18-11-10-14(12-16(18)19)20-13-6-2-1-3-7-13/h1-12,20H,(H,21,22)",C19H14N2O,,,,,,USTNFRALPDIXCN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.267,281-719-9,84029-45-8,Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate,sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate,[Na+].Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)S(=O)(=O)[O-],[Na+].Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C14H12N2O6S.Na/c1-9-2-3-10(8-13(9)16(18)19)14(17)15-11-4-6-12(7-5-11)23(20,21)22;/h2-8H,1H3,(H,15,17)(H,20,21,22);/q;+1/p-1",C14H12N2O6S.Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5857,https://echa.europa.eu/substance-information/-/substanceinfo/100.074.267,YLDIMJOASVRWAO-UHFFFAOYSA-M,,,,,,,,,,,
100.074.276,281-729-3,84029-61-8,"4,5-dihydromethylcyclopenta[de]cinnoline","3-methyl-4,5-dihydrocyclopenta[de]cinnoline",Cc1nnc2cccc3CCc1c23,Cc1nnc2cccc3CCc1c23,"InChI=1/C11H10N2/c1-7-9-6-5-8-3-2-4-10(11(8)9)13-12-7/h2-4H,5-6H2,1H3",C11H10N2,,,,,,QKHJMTICNLAHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.282,281-736-1,84029-67-4,1-(tert-butyl)-3-methylnaphthalene,1-tert-butyl-3-methylnaphthalene,Cc1cc(c2ccccc2c1)C(C)(C)C,Cc1cc(c2ccccc2c1)C(C)(C)C,"InChI=1/C15H18/c1-11-9-12-7-5-6-8-13(12)14(10-11)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,KGTNXPIOHOJELW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.297,275-150-5,71033-20-0,"Trisodium 2-[[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate","trisodium 2-({4-[(4-{[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino}-5-sulfonato-1-naphthyl)diazenyl]-2,5-dimethylphenyl}diazenyl)benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c4cccc(c34)S([O-])(=O)=O)nc(OCCOCC)n5,[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c4cccc(c34)S([O-])(=O)=O)nc(OCCOCC)n5,"InChI=1/C31H29ClN8O11S3.3Na/c1-4-50-12-13-51-31-35-29(32)34-30(36-31)33-22-10-9-21(20-6-5-7-27(28(20)22)54(47,48)49)37-38-23-14-18(3)24(15-17(23)2)39-40-25-16-19(52(41,42)43)8-11-26(25)53(44,45)46;;;/h5-11,14-16H,4,12-13H2,1-3H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3",C31H29ClN8O11S3.3Na,,,,,,DOUWVCGSSDIRFI-UHFFFAOYSA-K,,,,,,,,,,,
100.077.494,285-274-1,85050-00-6,"Tetramethyl 5,5'-[(1,4-dioxo-1,4-butanediyl)diimino]bisisophthalate","tetramethyl 5,5'-[(1,4-dioxobutane-1,4-diyl)diimino]diisophthalate",COC(=O)c1cc(NC(=O)CCC(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)cc(c1)C(=O)OC,COC(=O)c1cc(NC(=O)CCC(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)cc(c1)C(=O)OC,"InChI=1/C24H24N2O10/c1-33-21(29)13-7-14(22(30)34-2)10-17(9-13)25-19(27)5-6-20(28)26-18-11-15(23(31)35-3)8-16(12-18)24(32)36-4/h7-12H,5-6H2,1-4H3,(H,25,27)(H,26,28)",C24H24N2O10,,,,,,GVZGIHSLVRGGKW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.495,285-275-7,85050-02-8,"Ethyl 1-ethyl-2-[2-[(3-ethyl-5,6-dimethyl-3H-benzoselenazol-2-ylidene)methyl]-1-butenyl]naphtho[1,2-d]thiazolium sulphate","1-ethyl-2-{2-[(3-ethyl-5,6-dimethyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium ethyl sulfate",[O-]S(=O)(=O)OCC.CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CC,[O-]S(=O)(=O)OCC.CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CC,"InChI=1/C29H31N2SSe.C2H6O4S/c1-6-21(18-28-30(7-2)24-15-19(4)20(5)16-26(24)33-28)17-27-31(8-3)29-23-12-10-9-11-22(23)13-14-25(29)32-27;1-2-6-7(3,4)5/h9-18H,6-8H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C29H31N2SSe.C2H5O4S,,,,,,XWJWRAFTFWXPAY-UHFFFAOYSA-M,,,,,,,,,,,
100.072.376,279-637-3,80962-91-0,"1-chloro-1,1,2,2,3,3-hexafluoro-3-[(trifluorovinyl)oxy]propane","1-chloro-1,1,2,2,3,3-hexafluoro-3-[(trifluorovinyl)oxy]propane",FC(=C(F)OC(F)(F)C(F)(F)C(F)(F)Cl)F,FC(=C(F)OC(F)(F)C(F)(F)C(F)(F)Cl)F,"InChI=1/C5ClF9O/c6-4(12,13)3(10,11)5(14,15)16-2(9)1(7)8",C5ClF9O,,,,,,BSYZCTLPTCSJLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.380,279-642-0,80994-10-1,"2,2'-(1,4-phenylenediimino)bis[5-nitrobenzenesulphonic] acid","2,2'-(1,4-phenylenediimino)bis(5-nitrobenzenesulfonic acid)",OS(=O)(=O)c1cc(ccc1Nc2ccc(Nc3ccc(cc3S(=O)(=O)O)[N+](=O)[O-])cc2)[N+](=O)[O-],OS(=O)(=O)c1cc(ccc1Nc2ccc(Nc3ccc(cc3S(=O)(=O)O)[N+](=O)[O-])cc2)[N+](=O)[O-],"InChI=1/C18H14N4O10S2/c23-21(24)13-5-7-15(17(9-13)33(27,28)29)19-11-1-2-12(4-3-11)20-16-8-6-14(22(25)26)10-18(16)34(30,31)32/h1-10,19-20H,(H,27,28,29)(H,30,31,32)",C18H14N4O10S2,,,,,,UPVRELAIXKJNNU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.398,279-661-4,81028-92-4,"m-(3,5-dichlorophenoxy)benzaldehyde","3-(3,5-dichlorophenoxy)benzaldehyde",Clc1cc(Cl)cc(Oc2cccc(C=O)c2)c1,Clc1cc(Cl)cc(Oc2cccc(C=O)c2)c1,InChI=1/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H,C13H8Cl2O2,,,,,,BISWHYILBVQCRA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.288,281-742-4,84029-73-2,"Tetradecyl (Z,Z,Z)-6-[[1,4-dioxo-4-(tetradecyloxy)but-2-enyl]oxy]-6-octyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate","tetradecyl 6-octyl-4,8,11-trioxo-6-{[4-oxo-4-(tetradecyloxy)but-2-enoyl]oxy}-5,7,12-trioxa-6-stannahexacosa-2,9-dien-1-oate",CCCCCCCCCCCCCCOC(=O)/C=C\\C(=O)O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCCCCCC,CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCCCCCC,"InChI=1/3C18H32O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-5-7-8-6-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-8H2,2H3;/q;;;;+3/p-3/rC62H110O12Sn/c1-5-9-13-17-21-24-27-30-33-36-39-43-53-69-57(63)47-50-60(66)72-75(56-46-42-20-16-12-8-4,73-61(67)51-48-58(64)70-54-44-40-37-34-31-28-25-22-18-14-10-6-2)74-62(68)52-49-59(65)71-55-45-41-38-35-32-29-26-23-19-15-11-7-3/h47-52H,5-46,53-56H2,1-4H3",C62H110O12Sn,,,,,,AYYTVQVILHVSJM-POUCYOBESA-K,,,,,,,,,,,
100.046.395,251-051-2,32448-94-5,Dibutoxytitanium chloride,-,[Cl-].CCCCO[Ti]OCCCC,[Cl-].CCCCO[Ti]OCCCC,"InChI=1/2C4H9O.ClH.Ti/c2*1-2-3-4-5;;/h2*2-4H2,1H3;1H;/q2*-1;;+2/p-1/rC8H18O2Ti.ClH/c1-3-5-7-9-11-10-8-6-4-2;/h3-8H2,1-2H3;1H/p-1",C8H18ClO2Ti,,,,,,RXJGDMRGEZKZMC-UHFFFAOYSA-M,,,,,,,,,,,
100.046.398,251-054-9,32450-56-9,"(all-E)-2-(9-methoxy-3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethylcyclohexene",O~15~-methylretinol,CC1(C)CCCC(\\C)=C1\\C=CC(C)=CC=CC(C)=CCOC,CC1(C)CCCC(\C)=C1\C=CC(C)=CC=CC(C)=CCOC,"InChI=1/C21H32O/c1-17(9-7-10-18(2)14-16-22-6)12-13-20-19(3)11-8-15-21(20,4)5/h7,9-10,12-14H,8,11,15-16H2,1-6H3",C21H32O,,,,,,XWULCDOSZPRLEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.401,251-058-0,32452-39-4,Inosinylyl-(3'<U+2192>5')-inosine,-,OCC1OC(C(O)C1OP(=O)(O)OCC2OC(C(O)C2O)n3cnc4c(O)ncnc34)n5cnc6c(O)ncnc56,OCC1OC(C(O)C1OP(=O)(O)OCC2OC(C(O)C2O)n3cnc4c(O)ncnc34)n5cnc6c(O)ncnc56,"InChI=1/C20H23N8O12P/c29-1-7-14(13(32)20(38-7)28-6-26-10-16(28)22-4-24-18(10)34)40-41(35,36)37-2-8-11(30)12(31)19(39-8)27-5-25-9-15(27)21-3-23-17(9)33/h3-8,11-14,19-20,29-32H,1-2H2,(H,35,36)(H,21,23,33)(H,22,24,34)",C20H23N8O12P,,,,,,YMHBNJSSNDWETP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.404,251-061-7,32462-30-9,Oxfenicine,amino(4-hydroxyphenyl)acetic acid,N[C@H](C(=O)O)c1ccc(O)cc1,N[C@H](C(=O)O)c1ccc(O)cc1,"InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)",C8H9NO3,,,,,,LJCWONGJFPCTTL-ZETCQYMHSA-N,,,,,,,,,,,
100.046.407,251-064-3,32479-73-5,"1,3-diethylbarbituric acid","1,3-diethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCN1C(=O)CC(=O)N(CC)C1=O,CCN1C(=O)CC(=O)N(CC)C1=O,"InChI=1/C8H12N2O3/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3",C8H12N2O3,,,,,,XUCMDLYIYOXEBF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.408,251-065-9,32484-50-7,1-[[2-(diethylamino)ethyl]amino]-9H-thioxanthen-9-one,1-{[2-(diethylamino)ethyl]amino}-9H-thioxanthen-9-one,CCN(CC)CCNc1cccc2Sc3ccccc3C(=O)c12,CCN(CC)CCNc1cccc2Sc3ccccc3C(=O)c12,"InChI=1/C19H22N2OS/c1-3-21(4-2)13-12-20-15-9-7-11-17-18(15)19(22)14-8-5-6-10-16(14)23-17/h5-11,20H,3-4,12-13H2,1-2H3",C19H22N2OS,,,,,,LJDRCIHLYQOFIR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.034,283-668-8,84696-63-9,"2,16-dimethyl-3,6,9,12,15-pentaoxaheptadecane","2,16-dimethyl-3,6,9,12,15-pentaoxaheptadecane",CC(C)OCCOCCOCCOCCOC(C)C,CC(C)OCCOCCOCCOCCOC(C)C,"InChI=1/C14H30O5/c1-13(2)18-11-9-16-7-5-15-6-8-17-10-12-19-14(3)4/h13-14H,5-12H2,1-4H3",C14H30O5,,,,,,OUNJLSKZDGVRNU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.040,283-675-6,84696-69-5,(Z)-4-(octadec-9-en-1-yl)morpholine,4-octadec-9-en-1-ylmorpholine,CCCCCCCC\\C=C/CCCCCCCCN1CCOCC1,CCCCCCCC\C=C/CCCCCCCCN1CCOCC1,"InChI=1/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23/h9-10H,2-8,11-22H2,1H3",C22H43NO,,,,,,OSNVKHBQAYVRFA-KTKRTIGZSA-N,,,,,,,,,,,
100.076.041,283-676-1,84696-70-8,4-[(Z)-octadec-9-enyl]morpholinium acetate,4-octadec-9-en-1-ylmorpholin-4-ium acetate,CCCCCCCC\\C=C/CCCCCCCC[NH+]1CCOCC1.CC(=O)[O-],CCCCCCCC\C=C/CCCCCCCC[NH+]1CCOCC1.CC(=O)[O-],"InChI=1/C22H43NO.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23;1-2(3)4/h9-10H,2-8,11-22H2,1H3;1H3,(H,3,4)",C22H43NO.C2H4O2,,,,,,LYRKMUTVEOLDLG-KVVVOXFISA-N,,,,,,,,,,,
100.076.044,283-679-8,84696-73-1,"1-hexadecyl 2,3,4-tris(1,2,2,6,6-pentamethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate","1-hexadecyl 2,3,4-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate",CCCCCCCCCCCCCCCCOC(=O)CC(C(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC3CC(C)(C)N(C)C(C)(C)C3,CCCCCCCCCCCCCCCCOC(=O)CC(C(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC3CC(C)(C)N(C)C(C)(C)C3,"InChI=1/C54H99N3O8/c1-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-62-45(58)32-43(47(60)64-41-36-51(6,7)56(15)52(8,9)37-41)44(48(61)65-42-38-53(10,11)57(16)54(12,13)39-42)33-46(59)63-40-34-49(2,3)55(14)50(4,5)35-40/h40-44H,17-39H2,1-16H3",C54H99N3O8,,,,,,HRYUATHWNRMWNL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.454,257-717-9,52184-29-9,"4,6-di(tert-butyl)-2-[(4-chloro-2-nitrophenyl)azo]phenol","2,4-di-tert-butyl-6-[(4-chloro-2-nitrophenyl)diazenyl]phenol",Clc2cc(c(N=Nc1cc(cc(c1O)C(C)(C)C)C(C)(C)C)cc2)[N+]([O-])=O,Clc2cc(c(N=Nc1cc(cc(c1O)C(C)(C)C)C(C)(C)C)cc2)[N+]([O-])=O,"InChI=1/C20H24ClN3O3/c1-19(2,3)12-9-14(20(4,5)6)18(25)16(10-12)23-22-15-8-7-13(21)11-17(15)24(26)27/h7-11,25H,1-6H3",C20H24ClN3O3,,,,,,IIHNCIPIAMRRIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.473,257-738-3,52210-18-1,"3-(2,6,6-trimethyl-2-cyclohexen-1-yl)propen-1-yl acetate","3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-1-yl acetate",C\\C1=C\\CCC(C)(C)C1CC=COC(C)=O,C\C1=C\CCC(C)(C)C1CC=COC(C)=O,"InChI=1/C14H22O2/c1-11-7-5-9-14(3,4)13(11)8-6-10-16-12(2)15/h6-7,10,13H,5,8-9H2,1-4H3",C15H24O2,,,,,,RLOGQPHKADQVNE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.481,257-747-2,52217-52-4,Trichloro-7-octenylsilane,trichloro(oct-7-en-1-yl)silane,Cl[Si](Cl)(Cl)CCCCCCC=C,Cl[Si](Cl)(Cl)CCCCCCC=C,"InChI=1/C8H15Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2",C8H15Cl3Si,,,,,,MFISPHKHJHQREG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.050,278-178-6,75292-29-4,3-amino-2-chlorobutenamide,3-amino-2-chlorobut-2-enamide,CC(N)=C(Cl)C(N)=O,CC(N)=C(Cl)C(N)=O,"InChI=1/C4H7ClN2O/c1-2(6)3(5)4(7)8/h6H2,1H3,(H2,7,8)",C4H7ClN2O,,,,,,CHOHOEHYARPUIR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.038,280-365-2,83283-35-6,"tert-butyl L-prolinate, compound with N-(phenylsulphonyl)benzenesulphonamide (1:1)",tert-butyl L-prolinate - N-(phenylsulfonyl)benzenesulfonamide (1:1),CC(C)(C)OC(=O)[C@@H]1CCCN1.O=S(=O)(NS(=O)(=O)c2ccccc2)c3ccccc3,CC(C)(C)OC(=O)[C@@H]1CCCN1.O=S(=O)(NS(=O)(=O)c2ccccc2)c3ccccc3,"InChI=1/C12H11NO4S2.C9H17NO2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12;1-9(2,3)12-8(11)7-5-4-6-10-7/h1-10,13H;7,10H,4-6H2,1-3H3",C12H11NO4S2.C9H17NO2,,,,,,QWCDJOBXFKHRJN-ZLTKDMPESA-N,,,,,,,,,,,
100.073.044,280-372-0,83306-17-6,"1-[1-oxo-3-(2-pyridylthio)propoxy]pyrrolidine-2,5-dione","1-{[3-(pyridin-2-ylsulfanyl)propanoyl]oxy}pyrrolidine-2,5-dione",O=C(CCSc1ccccn1)ON2C(=O)CCC2=O,O=C(CCSc1ccccn1)ON2C(=O)CCC2=O,"InChI=1/C12H12N2O4S/c15-10-4-5-11(16)14(10)18-12(17)6-8-19-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2",C12H12N2O4S,,,,,,QMXCRMQIVATQMR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.047,280-375-7,83315-76-8,"6-(3-chloropropyl)-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane","6-(3-chloropropyl)-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane",COCCO[Si](CCCCl)(OCCOC)OCCOC,COCCO[Si](CCCCl)(OCCOC)OCCOC,"InChI=1/C12H27ClO6Si/c1-14-6-9-17-20(12-4-5-13,18-10-7-15-2)19-11-8-16-3/h4-12H2,1-3H3",C12H27ClO6Si,,,,,,CIPGKMZNKNYCCP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.049,280-377-8,83346-76-3,"Bis(4-hydroxyphenyl) pyridine-2,6-dicarboxylate","bis(4-hydroxyphenyl) pyridine-2,6-dicarboxylate",Oc1ccc(OC(=O)c2cccc(n2)C(=O)Oc3ccc(O)cc3)cc1,Oc1ccc(OC(=O)c2cccc(n2)C(=O)Oc3ccc(O)cc3)cc1,"InChI=1/C19H13NO6/c21-12-4-8-14(9-5-12)25-18(23)16-2-1-3-17(20-16)19(24)26-15-10-6-13(22)7-11-15/h1-11,21-22H",C19H13NO6,,,,,,QHPPTJOBIHERDA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.885,282-400-7,84195-93-7,"Bis[9,10-dioxoanthracene-1-diazonium] tetrachlorozincate(2-)","bis(9,10-dioxo-9,10-dihydroanthracene-1-diazonium) tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N.O=C4c5ccccc5C(=O)c6c(cccc46)[N+]#N,Cl[Zn-2](Cl)(Cl)Cl.O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N.O=C4c5ccccc5C(=O)c6c(cccc46)[N+]#N,"InChI=1/2C14H7N2O2.4ClH.Zn/c2*15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;;;;;/h2*1-7H;4*1H;/q2*+1;;;;;+2/p-4/r2C14H7N2O2.Cl4Zn/c2*15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;1-5(2,3)4/h2*1-7H;/q2*+1;-2",C14H7N2O2.1/2Cl4Zn,,,,,,VSRDSDNVJZTWAR-UHFFFAOYSA-J,,,,,,,,,,,
100.074.886,282-401-2,84195-94-8,2-(phenylsulphonyl)benzenediazonium tetrachlorozincate (2:1),bis[2-(phenylsulfonyl)benzenediazonium] tetrachlorozincate(2-),Cl[Zn-2](Cl)(Cl)Cl.O=S(=O)(c1ccccc1)c2ccccc2[N+]#N.O=S(=O)(c3ccccc3)c4ccccc4[N+]#N,Cl[Zn-2](Cl)(Cl)Cl.O=S(=O)(c1ccccc1)c2ccccc2[N+]#N.O=S(=O)(c3ccccc3)c4ccccc4[N+]#N,"InChI=1/2C12H9N2O2S.4ClH.Zn/c2*13-14-11-8-4-5-9-12(11)17(15,16)10-6-2-1-3-7-10;;;;;/h2*1-9H;4*1H;/q2*+1;;;;;+2/p-4/r2C12H9N2O2S.Cl4Zn/c2*13-14-11-8-4-5-9-12(11)17(15,16)10-6-2-1-3-7-10;1-5(2,3)4/h2*1-9H;/q2*+1;-2",C12H9N2O2S.1/2Cl4Zn,,,,,,YXBXZUNEIHBEHO-UHFFFAOYSA-J,,,,,,,,,,,
100.074.893,282-409-6,84196-01-0,3-chloro-4-(dibutylamino)benzenediazonium hexafluorophosphate(1-),3-chloro-4-(dibutylamino)benzenediazonium hexafluorophosphate,CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.F[P-](F)(F)(F)(F)F,CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C14H21ClN3.F6P/c1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;1-7(2,3,4,5)6/h7-8,11H,3-6,9-10H2,1-2H3;/q+1;-1",C14H21ClN3.F6P,,,,,,ZQNYGOFEPONWRG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.906,282-423-2,84196-14-5,2-[(1-benzyl-4-piperidyl)amino]butyronitrile,2-[(1-benzylpiperidin-4-yl)amino]butanenitrile,CCC(NC1CCN(Cc2ccccc2)CC1)C#N,CCC(NC1CCN(Cc2ccccc2)CC1)C#N,"InChI=1/C16H23N3/c1-2-15(12-17)18-16-8-10-19(11-9-16)13-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-11,13H2,1H3",C16H23N3,,,,,,XARCFSHZUKBOAM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.646,285-440-3,85098-87-9,4-[(m-tolyl)azo]-m-toluidinium sulphate (2:1),bis{3-methyl-4-[(3-methylphenyl)diazenyl]anilinium} sulfate,[O-]S([O-])(=O)=O.Cc1cc(ccc1)N=Nc2ccc([NH3+])cc2C.Cc2cc(N=Nc1ccc([NH3+])cc1C)ccc2,[O-]S([O-])(=O)=O.Cc1cc(ccc1)N=Nc2ccc([NH3+])cc2C.Cc2cc(N=Nc1ccc([NH3+])cc1C)ccc2,"InChI=1/2C14H15N3.H2O4S/c2*1-10-4-3-5-13(8-10)16-17-14-7-6-12(15)9-11(14)2;1-5(2,3)4/h2*3-9H,15H2,1-2H3;(H2,1,2,3,4)",C14H15N3.1/2H2O4S,,,,,,JAIFBYGYIBWWOC-UHFFFAOYSA-N,,,,,,,,,,,
100.077.649,285-444-5,85098-90-4,"1,2,3,4,4a,5,8,8a-octahydro-7,8a-dimethyl-3-(1-methylvinyl)-1-naphthol","3-isopropenyl-7,8a-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol",CC(=C)C1CC(O)C2(C)CC(=CCC2C1)C,CC(=C)C1CC(O)C2(C)CC(=CCC2C1)C,"InChI=1/C15H24O/c1-10(2)12-7-13-6-5-11(3)9-15(13,4)14(16)8-12/h5,12-14,16H,1,6-9H2,2-4H3",C15H24O,,,,,,PUKGQEFEWDTAKS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.661,285-457-6,85099-04-3,"3-(butylthio)propane-1,2-diol","3-(butylsulfanyl)propane-1,2-diol",CCCCSCC(O)CO,CCCCSCC(O)CO,"InChI=1/C7H16O2S/c1-2-3-4-10-6-7(9)5-8/h7-9H,2-6H2,1H3",C7H16O2S,,,,,,GXPOMGCOBZJZAW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.662,285-458-1,85099-05-4,1-(methylsulphonyl)tetradecan-2-ol,1-(methylsulfonyl)tetradecan-2-ol,CCCCCCCCCCCCC(O)CS(=O)(=O)C,CCCCCCCCCCCCC(O)CS(=O)(=O)C,"InChI=1/C15H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15(16)14-19(2,17)18/h15-16H,3-14H2,1-2H3",C15H32O3S,,,,,,COQFTFJCVHESIH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.666,285-462-3,85099-09-8,3-[(2-hydroxytetradecyl)sulphinyl]propionic acid,3-[(2-hydroxytetradecyl)sulfinyl]propanoic acid,CCCCCCCCCCCCC(O)CS(=O)CCC(=O)O,CCCCCCCCCCCCC(O)CS(=O)CCC(=O)O,"InChI=1/C17H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)15-22(21)14-13-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)",C17H34O4S,,,,,,YWKGUDHHIUFKAS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.101,278-235-5,75522-93-9,"Benzoic acid, 2-[[2-amino-6-[[4'-[[5-[(2,5-disulfophenyl)azo]-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-7-sulfo-1-naphthalenyl]azo]-5-nitro-, tetrasodium salt","tetrasodium 2-[(2-amino-6-{[4'-({6-anilino-5-[(2,5-disulfonatophenyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-3,3'-dimethoxybiphenyl-4-yl]diazenyl}-5-hydroxy-7-sulfo-1-naphthyl)diazenyl]-5-nitrobenzoate",[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c9ccc(N=Nc7c8cc(c(N=Nc1ccc(cc1OC)c6cc(OC)c(N=Nc5c(cc4c(N=Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)c(Nc3ccccc3)ccc4c5O)S([O-])(=O)=O)cc6)c(O)c8ccc7N)S(O)(=O)=O)c(c9)C([O-])=O,[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c9ccc(N=Nc7c8cc(c(N=Nc1ccc(cc1OC)c6cc(OC)c(N=Nc5c(cc4c(N=Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)c(Nc3ccccc3)ccc4c5O)S([O-])(=O)=O)cc6)c(O)c8ccc7N)S(O)(=O)=O)c(c9)C([O-])=O,"InChI=1/C53H39N11O20S4.4Na/c1-83-42-20-26(8-15-38(42)57-62-49-45(87(77,78)79)24-33-31(51(49)65)12-14-36(54)47(33)60-56-37-17-10-29(64(69)70)22-35(37)53(67)68)27-9-16-39(43(21-27)84-2)58-63-50-46(88(80,81)82)25-34-32(52(50)66)13-18-40(55-28-6-4-3-5-7-28)48(34)61-59-41-23-30(85(71,72)73)11-19-44(41)86(74,75)76;;;;/h3-25,55,65-66H,54H2,1-2H3,(H,67,68)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82);;;;/q;4*+1/p-4",C53H39N11O20S4.4Na,,,,,,HOPPJPJOPRWPMZ-UHFFFAOYSA-J,,,,,,,,,,,
100.046.475,251-139-0,32648-01-4,"Butyric acid, diester with propane-1,2,3-triol","2-hydroxypropane-1,3-diyl dibutanoate",CCCC(=O)OCC(O)COC(=O)CCC,CCCC(=O)OCC(O)COC(=O)CCC,"InChI=1/C11H20O5/c1-3-5-10(13)15-7-9(12)8-16-11(14)6-4-2/h9,12H,3-8H2,1-2H3",C11H20O5,,,,,,KBWFWZJNPVZRRG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.485,251-150-0,32673-41-9,Imidazol-4-ylmethanol hydrochloride,1H-imidazol-4-ylmethanol hydrochloride,Cl.OCc1c[nH]cn1,Cl.OCc1c[nH]cn1,"InChI=1/C4H6N2O.ClH/c7-2-4-1-5-3-6-4;/h1,3,7H,2H2,(H,5,6);1H",C4H6N2O.ClH,,,,,,WFNASTYGEKUMIY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.488,251-153-7,32685-16-8,Potassium benzohydroxamate,N-hydroxybenzamide,ONC(=O)c1ccccc1,ONC(=O)c1ccccc1,"InChI=1/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)",C7H7NO2.K,,,,,,VDEUYMSGMPQMIK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.490,251-155-8,32687-77-7,"3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionohydrazide","3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanehydrazide",CC(C)(C)c1cc(CCC(=O)NN)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CCC(=O)NN)cc(c1O)C(C)(C)C,"InChI=1/C17H28N2O2/c1-16(2,3)12-9-11(7-8-14(20)19-18)10-13(15(12)21)17(4,5)6/h9-10,21H,7-8,18H2,1-6H3,(H,19,20)",C17H28N2O2,,,,,,KMWIPXLIKIAZMT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.495,251-161-0,32694-95-4,"Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].CC(O)CNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCC(C)O)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].CC(O)CNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCC(C)O)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C38H40N12O8S2.2Na/c1-23(51)21-39-33-45-35(41-27-9-5-3-6-10-27)49-37(47-33)43-29-17-15-25(31(19-29)59(53,54)55)13-14-26-16-18-30(20-32(26)60(56,57)58)44-38-48-34(40-22-24(2)52)46-36(50-38)42-28-11-7-4-8-12-28;;/h3-20,23-24,51-52H,21-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50);;/q;2*+1/p-2",C38H40N12O8S2.2Na,,,,,,OFFPXUUNBQIOQV-QDBORUFSSA-L,,,,,,,,,,,
100.046.498,251-164-7,32703-05-2,N-(4-methylphenyl)acetohydrazide hydrochloride,N-(4-methylphenyl)acetohydrazide hydrochloride,Cl.CC(=O)N(N)c1ccc(C)cc1,Cl.CC(=O)N(N)c1ccc(C)cc1,"InChI=1/C9H12N2O.ClH/c1-7-3-5-9(6-4-7)11(10)8(2)12;/h3-6H,10H2,1-2H3;1H",C9H12N2O.xClH,,,,,,HUPAEHLOJOVFSC-UHFFFAOYSA-N,,,,,,,,,,,
100.076.095,283-735-1,84711-26-2,"Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate","ethyl 3-(1-phenylethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate",CCOC(=O)C1=CNC(=S)N1[C@H](C)c2ccccc2,CCOC(=O)C1=CNC(=S)N1[C@H](C)c2ccccc2,"InChI=1/C14H16N2O2S/c1-3-18-13(17)12-9-15-14(19)16(12)10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,19)",C14H16N2O2S,,,,,,URUAOABMVSHWSB-SNVBAGLBSA-N,,,,,,,,,,,
100.076.097,283-737-2,84712-47-0,"1,2,3-Propanetriol, acetate propanoate",2-acetoxy-3-hydroxypropyl propionate,CCC(=O)OCC(CO)OC(=O)C,CCC(=O)OCC(CO)OC(=O)C,"InChI=1/C8H14O5/c1-3-8(11)12-5-7(4-9)13-6(2)10/h7,9H,3-5H2,1-2H3",-,,,,,,YDIWGUZXDOPEQU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.124,283-767-6,84712-76-5,"6-chloro-N-cyclopentyl-N'-isopropyl-1,3,5-triazine-2,4-diamine","6-chloro-N-cyclopentyl-N'-isopropyl-1,3,5-triazine-2,4-diamine",CC(C)Nc1nc(Cl)nc(NC2CCCC2)n1,CC(C)Nc1nc(Cl)nc(NC2CCCC2)n1,"InChI=1/C11H18ClN5/c1-7(2)13-10-15-9(12)16-11(17-10)14-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16,17)",C11H18ClN5,,,,,,XWFNWQAZWHPBNA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.170,258-505-9,53371-99-6,Butyl 5-sulphamoyl-o-anisate,butyl 2-methoxy-5-sulfamoylbenzoate,CCCCOC(=O)c1cc(ccc1OC)S(=O)(=O)N,CCCCOC(=O)c1cc(ccc1OC)S(=O)(=O)N,"InChI=1/C12H17NO5S/c1-3-4-7-18-12(14)10-8-9(19(13,15)16)5-6-11(10)17-2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,15,16)",C12H17NO5S,,,,,,OJHOGRODYNCEGX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.171,258-506-4,53375-50-1,2-methoxy-4-nitrophenyl 5-oxo-L-prolinate,2-methoxy-4-nitrophenyl 5-oxo-L-prolinate,COc1cc(ccc1OC(=O)[C@@H]2CCC(=O)N2)[N+](=O)[O-],COc1cc(ccc1OC(=O)[C@@H]2CCC(=O)N2)[N+](=O)[O-],"InChI=1/C12H12N2O6/c1-19-10-6-7(14(17)18)2-4-9(10)20-12(16)8-3-5-11(15)13-8/h2,4,6,8H,3,5H2,1H3,(H,13,15)",C12H12N2O6,,,,,,ZKPBFAPKUAHRCU-QMMMGPOBSA-N,,,,,,,,,,,
100.074.291,281-746-6,84029-76-5,"Tetradecyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate","tetradecyl 6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dien-1-oate",CCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCC,"InChI=1/2C18H32O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-12H2,2H3;/q;;;;+2/p-2/rC60H112O8Sn/c1-5-9-13-17-21-25-29-31-33-37-41-45-53-65-57(61)49-51-59(63)67-69(55-47-43-39-35-27-23-19-15-11-7-3,56-48-44-40-36-28-24-20-16-12-8-4)68-60(64)52-50-58(62)66-54-46-42-38-34-32-30-26-22-18-14-10-6-2/h49-52H,5-48,53-56H2,1-4H3",C60H112O8Sn,,,,,,LYJOPYRQEYEMMH-POUCYOBESA-L,,,,,,,,,,,
100.074.293,281-748-7,84029-78-7,"Ethyl (Z,Z,Z)-9-dodecyl-9-[(4-ethoxy-1,4-dioxobut-2-enyl)oxy]-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate","ethyl 9-dodecyl-9-[(4-ethoxy-4-oxobut-2-enoyl)oxy]-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OCC)(OC(=O)C=CC(=O)OCC)CCCCCCCCCCCC)\\C=C/C(=O)OCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCC)(OC(=O)C=CC(=O)OCC)CCCCCCCCCCCC)\C=C/C(=O)OCC,"InChI=1/C12H25.3C6H8O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-2-10-6(9)4-3-5(7)8;/h1,3-12H2,2H3;3*3-4H,2H2,1H3,(H,7,8);/q;;;;+3/p-3/rC30H46O12Sn/c1-5-9-10-11-12-13-14-15-16-17-24-43(40-28(34)21-18-25(31)37-6-2,41-29(35)22-19-26(32)38-7-3)42-30(36)23-20-27(33)39-8-4/h18-23H,5-17,24H2,1-4H3",C30H46O12Sn,,,,,,CDRAXUFZXHOXOA-GLPMUSQESA-K,,,,,,,,,,,
100.074.294,281-749-2,84029-79-8,"Ethyl (Z,Z)-9,9-didodecyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate","ethyl 9,9-didodecyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)\\C=C/C(=O)OCC)OC(=O)\\C=C/C(=O)OCC,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)\C=C/C(=O)OCC)OC(=O)\C=C/C(=O)OCC,"InChI=1/2C12H25.2C6H8O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-12H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/rC36H64O8Sn/c1-5-9-11-13-15-17-19-21-23-25-31-45(43-35(39)29-27-33(37)41-7-3,44-36(40)30-28-34(38)42-8-4)32-26-24-22-20-18-16-14-12-10-6-2/h27-30H,5-26,31-32H2,1-4H3",C36H64O8Sn,,,,,,JXBYJBIZKJAFKV-DERJAXIWSA-L,,,,,,,,,,,
100.074.300,281-756-0,84029-85-6,"1-methylcyclohex-4-ene-1,2-dicarboxylic acid","1-methylcyclohex-4-ene-1,2-dicarboxylic acid",CC1(CC=CCC1C(=O)O)C(=O)O,CC1(CC=CCC1C(=O)O)C(=O)O,"InChI=1/C9H12O4/c1-9(8(12)13)5-3-2-4-6(9)7(10)11/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)",C9H12O4,,,,,,IIOYAXLMGNWCQN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.305,281-761-8,84029-90-3,"2-methoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane","2-methoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane",COC1(C)CCC2C(=C)C1CCC2(C)C,COC1(C)CCC2C(=C)C1CCC2(C)C,"InChI=1/C14H24O/c1-10-11-7-9-14(4,15-5)12(10)6-8-13(11,2)3/h11-12H,1,6-9H2,2-5H3",C14H24O,,,,,,SCWCQOUPVCAQJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.313,281-770-7,84029-99-2,7-(tert-butyl)-1-methylnaphthalene,7-tert-butyl-1-methylnaphthalene,Cc1cccc2ccc(cc12)C(C)(C)C,Cc1cccc2ccc(cc12)C(C)(C)C,"InChI=1/C15H18/c1-11-6-5-7-12-8-9-13(10-14(11)12)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,LQOREFMKIYFKPS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.316,281-773-3,84030-03-5,"[2-[4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]phenoxy]ethyl]trimethylammonium methyl sulphate","2-{4-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]phenoxy}-N,N,N-trimethylethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CCOc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,COS(=O)(=O)[O-].C[N+](C)(C)CCOc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C25H25N3O3.CH4O4S/c1-28(2,3)14-15-31-17-10-8-16(9-11-17)27-21-13-12-20(26)22-23(21)25(30)19-7-5-4-6-18(19)24(22)29;1-5-6(2,3)4/h4-13H,14-15H2,1-3H3,(H2-,26,27,29,30);1H3,(H,2,3,4)",C25H26N3O3.CH3O4S,,,,,,VIMBCPUQCVRMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.320,281-778-0,84030-07-9,Cyclohexyldioctylphosphine,cyclohexyl(dioctyl)phosphine,CCCCCCCCP(CCCCCCCC)C1CCCCC1,CCCCCCCCP(CCCCCCCC)C1CCCCC1,"InChI=1/C22H45P/c1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h22H,3-21H2,1-2H3",C22H45P,,,,,,WADVNZNSZFGMMN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.323,281-781-7,84030-10-4,Dicyclohexyloctadecylphosphine,dicyclohexyl(octadecyl)phosphine,CCCCCCCCCCCCCCCCCCP(C1CCCCC1)C2CCCCC2,CCCCCCCCCCCCCCCCCCP(C1CCCCC1)C2CCCCC2,"InChI=1/C30H59P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31(29-24-19-17-20-25-29)30-26-21-18-22-27-30/h29-30H,2-28H2,1H3",C30H59P,,,,,,QOCLTRNYWOOIBE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.529,268-803-0,68140-51-2,"2-(2,6-dimethylhepta-1,5-dienyl)-4,5-dimethyl-1,3-dioxolane","2-(2,6-dimethylhepta-1,5-dien-1-yl)-4,5-dimethyl-1,3-dioxolane",C/C(C)=C\\CCC(C)=CC1OC(C)C(C)O1,C/C(C)=C\CCC(C)=CC1OC(C)C(C)O1,"InChI=1/C14H24O2/c1-10(2)7-6-8-11(3)9-14-15-12(4)13(5)16-14/h7,9,12-14H,6,8H2,1-5H3",C14H24O2,,,,,,XPCRVJQZWNHAQD-UHFFFAOYSA-N,,,,,,,,,,,
100.062.534,268-808-8,68140-57-8,"Methyl 2-[[4-(6,6-dimethyl-2-cyclohexen-1-yl)-2-methyl-3-butenylidene]amino]benzoate","methyl 2-{[4-(6,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-3-en-1-ylidene]amino}benzoate",CC2(C)CC\\C=C/C2C=CC(C)C=Nc1ccccc1C(=O)OC,CC2(C)CC\C=C/C2C=CC(C)C=Nc1ccccc1C(=O)OC,"InChI=1/C21H27NO2/c1-16(12-13-17-9-7-8-14-21(17,2)3)15-22-19-11-6-5-10-18(19)20(23)24-4/h5-7,9-13,15-17H,8,14H2,1-4H3",C21H27NO2,,,,,,UJEHPJROBVIUFU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.056,278-184-9,75306-60-4,"2-chloro-N-[2-(1,1-dimethylethoxy)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxyphenethylamine","2-tert-butoxy-N-[2-(2-chloro-3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)ethanamine",COc1ccc(cc1)C(CNCCc2ccc(OC)c(OC)c2Cl)OC(C)(C)C,COc1ccc(cc1)C(CNCCc2ccc(OC)c(OC)c2Cl)OC(C)(C)C,"InChI=1/C23H32ClNO4/c1-23(2,3)29-20(16-7-10-18(26-4)11-8-16)15-25-14-13-17-9-12-19(27-5)22(28-6)21(17)24/h7-12,20,25H,13-15H2,1-6H3",C23H32ClNO4,,,,,,PTSDYEWSCSCGLA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.057,278-185-4,75311-81-8,"N,N'-(9,10-dihydro-9,10-dioxoanthracene-1,5-diyl)bis[4-methoxybenzamide]","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(4-methoxybenzamide)",COc1ccc(cc1)C(=O)Nc2cccc3C(=O)c4c(NC(=O)c5ccc(OC)cc5)cccc4C(=O)c23,COc1ccc(cc1)C(=O)Nc2cccc3C(=O)c4c(NC(=O)c5ccc(OC)cc5)cccc4C(=O)c23,"InChI=1/C30H22N2O6/c1-37-19-13-9-17(10-14-19)29(35)31-23-7-3-5-21-25(23)27(33)22-6-4-8-24(26(22)28(21)34)32-30(36)18-11-15-20(38-2)16-12-18/h3-16H,1-2H3,(H,31,35)(H,32,36)",C30H22N2O6,,,,,,JAXCBQWXGCQMLT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.058,278-187-5,75313-88-1,"1-amino-9,10-dihydro-4-[(2-methoxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(2-methoxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",COc1ccccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O,COc1ccccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O,"InChI=1/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)",C21H16N2O6S,,,,,,WCRXWKFBJBYISN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.061,278-190-1,75348-33-3,1-(3-chlorophenyl)-2-methylpiperazine,1-(3-chlorophenyl)-2-methylpiperazine,CC1CNCCN1c2cccc(Cl)c2,CC1CNCCN1c2cccc(Cl)c2,"InChI=1/C11H15ClN2/c1-9-8-13-5-6-14(9)11-4-2-3-10(12)7-11/h2-4,7,9,13H,5-6,8H2,1H3",C11H15ClN2,,,,,,KPPRCTGPPHBIJY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.067,278-196-4,75391-51-4,"(E)-1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene","1-(2,2-dimethoxyethoxy)-3,7-dimethylocta-2,6-diene",COC(COC\\C=C(/C)\\CCC=C(C)C)OC,COC(COC\C=C(/C)\CCC=C(C)C)OC,"InChI=1/C14H26O3/c1-12(2)7-6-8-13(3)9-10-17-11-14(15-4)16-5/h7,9,14H,6,8,10-11H2,1-5H3",C14H26O3,,,,,,NPBSCTNZMOBINO-UKTHLTGXSA-N,,,,,,,,,,,
100.071.075,278-206-7,75430-97-6,"1,2-dihydro-1-(p-nitrophenyl)-5H-tetrazol-5-one","1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazol-5-one",[O-][N+](=O)c1ccc(cc1)N2NN=NC2=O,[O-][N+](=O)c1ccc(cc1)N2NN=NC2=O,"InChI=1/C7H5N5O3/c13-7-8-9-10-11(7)5-1-3-6(4-2-5)12(14)15/h1-4H,(H,8,10,13)",C7H5N5O3,,,,,,BVYACBTVBIWVRI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.423,251-082-1,32527-15-4,"Hexa-2,4-diyne-1,6-diyl bis(4-methylbenzenesulphonate)","hexa-2,4-diyne-1,6-diyl bis(4-methylbenzenesulfonate)",Cc1ccc(cc1)S(=O)(=O)OCC#CC#CCOS(=O)(=O)c2ccc(C)cc2,Cc1ccc(cc1)S(=O)(=O)OCC#CC#CCOS(=O)(=O)c2ccc(C)cc2,"InChI=1/C20H18O6S2/c1-17-7-11-19(12-8-17)27(21,22)25-15-5-3-4-6-16-26-28(23,24)20-13-9-18(2)10-14-20/h7-14H,15-16H2,1-2H3",C20H18O6S2,,,,,,DXMVSZQXZAMXJA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.426,251-085-8,32534-95-5,"Isooctyl 2-(2,4,5-trichlorophenoxy)propionate","4-methylheptyl 2-(2,4,5-trichlorophenoxy)propanoate",CCCC(C)CCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCCC(C)CCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C17H23Cl3O3/c1-4-6-11(2)7-5-8-22-17(21)12(3)23-16-10-14(19)13(18)9-15(16)20/h9-12H,4-8H2,1-3H3",C17H23Cl3O3,,,,,,WMMUNRAGHLZFQS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.428,251-087-9,32536-52-0,"Diphenyl ether, octabromo derivative","1,1'-oxybis(2,3,4,5-tetrabromobenzene)",Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,InChI=1/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H,C12H2Br8O,,,,,,ORYGKUIDIMIRNN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.435,251-095-2,32555-29-6,"(2,3-epoxypropoxy)propanediol","1-(oxiran-2-ylmethoxy)propane-1,1-diol",CCC(O)(O)OCC1CO1,CCC(O)(O)OCC1CO1,"InChI=1/C6H12O4/c1-2-6(7,8)10-4-5-3-9-5/h5,7-8H,2-4H2,1H3",C6H12O4,,,,,,MBCKYSMRKLOILV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.437,251-097-3,32564-30-0,1-(methylthio)-p-menthan-3-one,2-isopropyl-5-methyl-5-(methylsulfanyl)cyclohexanone,CSC1(C)CCC(C(C)C)C(=O)C1,CSC1(C)CCC(C(C)C)C(=O)C1,"InChI=1/C11H20OS/c1-8(2)9-5-6-11(3,13-4)7-10(9)12/h8-9H,5-7H2,1-4H3",C11H20OS,,,,,,KYJOFNFLQSJNHO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.459,251-121-2,32595-49-6,4-glycylaminobutyric acid,4-(glycylamino)butanoic acid,NCC(=O)NCCCC(=O)O,NCC(=O)NCCCC(=O)O,"InChI=1/C6H12N2O3/c7-4-5(9)8-3-1-2-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)",C6H12N2O3,,,,,,FNSFAHRUVVKKMM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.045,283-680-3,84696-74-2,"1-hexadecyl 2,3,4-tris(2,2,6,6-tetramethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate","1-hexadecyl 2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate",CCCCCCCCCCCCCCCCOC(=O)CC(C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC3CC(C)(C)NC(C)(C)C3,CCCCCCCCCCCCCCCCOC(=O)CC(C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC3CC(C)(C)NC(C)(C)C3,"InChI=1/C51H93N3O8/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-59-42(55)29-40(44(57)61-38-33-48(6,7)53-49(8,9)34-38)41(45(58)62-39-35-50(10,11)54-51(12,13)36-39)30-43(56)60-37-31-46(2,3)52-47(4,5)32-37/h37-41,52-54H,14-36H2,1-13H3",C51H93N3O8,,,,,,BGHZDANVUUZMQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.676,285-473-3,85099-19-0,"6-chloro-N-[4-chloro-6-[(3-methoxypropyl)(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-N,N'-bis(3-methoxypropyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine","6-chloro-N-{4-chloro-6-[(3-methoxypropyl)(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl}-N,N'-bis(3-methoxypropyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine",COCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(Cl)nc(n2)N(CCCOC)c3nc(Cl)nc(n3)N(CCCOC)C4CC(C)(C)NC(C)(C)C4,COCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(Cl)nc(n2)N(CCCOC)c3nc(Cl)nc(n3)N(CCCOC)C4CC(C)(C)NC(C)(C)C4,"InChI=1/C36H63Cl2N11O3/c1-33(2)21-25(22-34(3,4)45-33)47(15-12-18-50-9)29-39-27(37)41-31(43-29)49(17-14-20-52-11)32-42-28(38)40-30(44-32)48(16-13-19-51-10)26-23-35(5,6)46-36(7,8)24-26/h25-26,45-46H,12-24H2,1-11H3",C36H63Cl2N11O3,,,,,,FCOVUJOIIADTQB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.679,285-477-5,85099-22-5,Sodium isobutyl 2-butenedioate,sodium 4-isobutoxy-4-oxobut-2-enoate,[Na+].CC(C)COC(=O)C=CC([O-])=O,[Na+].CC(C)COC(=O)C=CC([O-])=O,"InChI=1/C8H12O4.Na/c1-6(2)5-12-8(11)4-3-7(9)10;/h3-4,6H,5H2,1-2H3,(H,9,10);/q;+1/p-1",C8H12O4.Na,,,,,,NOPQDTLCPQHNRM-UHFFFAOYSA-M,,,,,,,,,,,
100.077.680,285-478-0,85099-23-6,"Sodium 1,3-dimethylbutyl sulphate","sodium 1,3-dimethylbutyl sulfate",[Na+].CC(C)CC(C)OS(=O)(=O)[O-],[Na+].CC(C)CC(C)OS(=O)(=O)[O-],"InChI=1/C6H14O4S.Na/c1-5(2)4-6(3)10-11(7,8)9;/h5-6H,4H2,1-3H3,(H,7,8,9);/q;+1/p-1",C6H14O4S.Na,,,,,,GVPLMTMISXCYPD-UHFFFAOYSA-M,,,,,,,,,,,
100.071.230,278-376-2,76123-09-6,4-vinylcyclohexan-1-ol,4-vinylcyclohexanol,OC1CCC(CC1)C=C,OC1CCC(CC1)C=C,"InChI=1/C8H14O/c1-2-7-3-5-8(9)6-4-7/h2,7-9H,1,3-6H2",C8H14O,,,,,,MYKPQTQXWQAXPP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.240,278-387-2,76186-07-7,"6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulpho-2-naphthyl]azo]phenyl]amino]-3-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid","6-[(2,4-diaminophenyl)diazenyl]-3-[(4-{[4-({7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)phenyl]amino}-3-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid",OS(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S(O)(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S(O)(=O)=O,OS(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S(O)(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S(O)(=O)=O,"InChI=1/C44H35N13O11S3/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)",C44H35N13O11S3,,,,,,SNOKTOUJNTYKIE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.241,278-388-8,76199-85-4,"2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide","2-cyano-N-methyl-2-[3-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)-2,3-dihydro-1H-isoindol-1-ylidene]acetamide",O=C3NC(=O)NC(=O)\\C3=C1\\NC(=C(C#N)C(=O)NC)c2ccccc12,O=C3NC(=O)NC(=O)\C3=C1\NC(=C(C#N)C(=O)NC)c2ccccc12,"InChI=1/C16H11N5O4/c1-18-13(22)9(6-17)11-7-4-2-3-5-8(7)12(19-11)10-14(23)20-16(25)21-15(10)24/h2-5,19H,1H3,(H,18,22)(H2,20,21,23,24,25)",C16H11N5O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10440,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.241,ACUPDOXCXXCPIX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.248,278-396-1,76236-22-1,(E)-2-methoxy-4-(1-propenyl)phenyl 2-methylbutyrate,2-methoxy-4-prop-1-en-1-ylphenyl 2-methylbutanoate,CCC(C)C(=O)Oc1ccc(\\C=C\\C)cc1OC,CCC(C)C(=O)Oc1ccc(\C=C\C)cc1OC,"InChI=1/C15H20O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3",C15H20O3,,,,,,YRKHQDBXYJCJLO-FNORWQNLSA-N,,,,,,,,,,,
100.072.879,280-190-1,83081-75-8,1-(2-ethoxyphenyl)piperazinium chloride,1-(2-ethoxyphenyl)piperazin-1-ium chloride,[Cl-].CCOc1ccccc1[NH+]2CCNCC2,[Cl-].CCOc1ccccc1[NH+]2CCNCC2,"InChI=1/C12H18N2O.ClH/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H",C12H18N2O.ClH,,,,,,OPDWQXGKXOCCDT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.885,280-196-4,83150-77-0,"(S)-a,a,4-trimethylcyclohex-3-ene-1-methanethiol",2-(4-methylcyclohex-3-en-1-yl)propane-2-thiol,CC1=CC[C@H](CC1)C(C)(C)S,CC1=CC[C@H](CC1)C(C)(C)S,"InChI=1/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",C10H18S,,,,,,ZQPCOAKGRYBBMR-SECBINFHSA-N,,,,,,,,,,,
100.074.911,282-429-5,84196-19-0,(2-chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile,(2-chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile,CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-],CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-],"InChI=1/C17H14Cl2N2O2/c1-10(2)13-7-14(16(19)8-17(13)21(22)23)15(9-20)11-3-5-12(18)6-4-11/h3-8,10,15H,1-2H3",C17H14Cl2N2O2,,,,,,PYFKNLQRSXRKNV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.913,282-431-6,84196-21-4,[4-[(4-chlorophenyl)cyanomethyl]-5-chloro-2-isopropylphenyl]ammonium chloride,5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-isopropylanilinium chloride,[Cl-].CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1[NH3+],[Cl-].CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1[NH3+],"InChI=1/C17H16Cl2N2.ClH/c1-10(2)13-7-14(16(19)8-17(13)21)15(9-20)11-3-5-12(18)6-4-11;/h3-8,10,15H,21H2,1-2H3;1H",C17H16Cl2N2.ClH,,,,,,VCYBWPRKAGMVSE-UHFFFAOYSA-N,,,,,,,,,,,
100.053.174,258-510-6,53387-38-5,Hexahydro-3-methylenebenzofuran-2(3H)-one,3-methylenehexahydro-1-benzofuran-2(3H)-one,C=C1C2CCCCC2OC1=O,C=C1C2CCCCC2OC1=O,"InChI=1/C9H12O2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h7-8H,1-5H2",C9H12O2,,,,,,JZULHXPIDKRFAY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.178,258-514-8,53398-81-5,(E)-hex-3-enyl propionate,hex-3-en-1-yl propionate,CC\\C=C\\CCOC(=O)CC,CC\C=C\CCOC(=O)CC,"InChI=1/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3",C9H16O2,,,,,,LGTLDEUQCOJGFP-AATRIKPKSA-N,,,,,,,,,,,
100.053.181,258-517-4,53398-85-9,(Z)-hex-3-enyl 2-methylbutyrate,hex-3-en-1-yl 2-methylbutanoate,CC\\C=C/CCOC(=O)C(C)CC,CC\C=C/CCOC(=O)C(C)CC,"InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3",C11H20O2,,,,,,JKKGTSUICJWEKB-SREVYHEPSA-N,,,,,,,,,,,
100.053.185,258-522-1,53404-10-7,"2-ethyl-4-methylpentyl 2-(2,4,5-trichlorophenoxy)propionate","2-ethyl-4-methylpentyl 2-(2,4,5-trichlorophenoxy)propanoate",CCC(COC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl)CC(C)C,CCC(COC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl)CC(C)C,"InChI=1/C17H23Cl3O3/c1-5-12(6-10(2)3)9-22-17(21)11(4)23-16-8-14(19)13(18)7-15(16)20/h7-8,10-12H,5-6,9H2,1-4H3",C17H23Cl3O3,,,,,,FHZWKJQPDFHFTI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.191,258-528-4,53404-31-2,"2-butoxyethyl 2-(2,4-dichlorophenoxy)propionate","2-butoxyethyl 2-(2,4-dichlorophenoxy)propanoate",CCCCOCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,CCCCOCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C15H20Cl2O4/c1-3-4-7-19-8-9-20-15(18)11(2)21-14-6-5-12(16)10-13(14)17/h5-6,10-11H,3-4,7-9H2,1-2H3",C15H20Cl2O4,,,,,,NCMJQZVNCFTQPG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.192,258-530-5,53404-32-3,"Dimethylammonium 2-(2,4-dichlorophenoxy)propionate","N-methylmethanaminium 2-(2,4-dichlorophenoxy)propanoate",C[NH2+]C.CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],C[NH2+]C.CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H8Cl2O3.C2H7N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;1-3-2/h2-5H,1H3,(H,12,13);3H,1-2H3",C9H8Cl2O3.C2H7N,,,,,,WRXSEWUFHVTFEX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.195,258-533-1,53404-48-1,"Tris(2-hydroxyethyl)ammonium 2-(2,4-dichlorophenoxy)propionate","2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 2-(2,4-dichlorophenoxy)propanoate",CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].OCC[NH+](CCO)CCO,CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C9H8Cl2O3.C6H15NO3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;8-4-1-7(2-5-9)3-6-10/h2-5H,1H3,(H,12,13);8-10H,1-6H2",C9H8Cl2O3.C6H15NO3,,,,,,BMMYGCZONMRMGA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.199,258-537-3,53404-82-3,Isopropyl 4-oxo-4-[(tributylstannyl)oxy]butyrate,isopropyl 4-oxo-4-[(tributylstannyl)oxy]butanoate,CCCC[Sn](CCCC)(CCCC)OC(=O)CCC(=O)OC(C)C,CCCC[Sn](CCCC)(CCCC)OC(=O)CCC(=O)OC(C)C,"InChI=1/C7H12O4.3C4H9.Sn/c1-5(2)11-7(10)4-3-6(8)9;3*1-3-4-2;/h5H,3-4H2,1-2H3,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC19H38O4Sn/c1-6-9-14-24(15-10-7-2,16-11-8-3)23-19(21)13-12-18(20)22-17(4)5/h17H,6-16H2,1-5H3",C19H38O4Sn,,,,,,KOXHYDFHHIYRTI-UHFFFAOYSA-M,,,,,,,,,,,
100.053.200,258-538-9,53404-86-7,"(2-hydroxyethyl)diethylammonium (2,4,5-trichlorophenoxy)acetate","N,N-diethyl-2-hydroxyethanaminium (2,4,5-trichlorophenoxy)acetate",CC[NH+](CC)CCO.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,CC[NH+](CC)CCO.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C8H5Cl3O3.C6H15NO/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;1-3-7(4-2)5-6-8/h1-2H,3H2,(H,12,13);8H,3-6H2,1-2H3",C8H5Cl3O3.C6H15NO,,,,,,MCGYTQYRYWZUBC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.201,258-539-4,53405-97-3,"1,1-diethoxyundecane","1,1-diethoxyundecane",CCCCCCCCCCC(OCC)OCC,CCCCCCCCCCC(OCC)OCC,"InChI=1/C15H32O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h15H,4-14H2,1-3H3",C15H32O2,,,,,,ZQNOIYUMSNPIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.203,258-542-0,53411-33-9,"5-[(5-amino-2-chlorophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one","5-[(5-amino-2-chlorophenyl)amino]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one",Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,"InChI=1/C15H10Cl4N4O/c16-7-3-10(18)15(11(19)4-7)23-14(24)6-13(22-23)21-12-5-8(20)1-2-9(12)17/h1-5H,6,20H2,(H,21,22)",C15H10Cl4N4O,,,,,,LDWDFXXBUGPHRO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.204,258-543-6,53411-70-4,"D-Gluconic acid, 6-(dihydrogen phosphate), trisodium salt","trisodium 2,3,4,5-tetrahydroxy-6-(phosphonatooxy)hexanoate (non-preferred name)",OC(COP(=O)(O[Na])O[Na])C(O)C(O)C(O)C(=O)O[Na],OC(COP(=O)(O[Na])O[Na])C(O)C(O)C(O)C(=O)O[Na],"InChI=1/C6H13O10P.3Na/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12;;;/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15);;;/q;3*+1/p-3/rC6H11Na2O10P.Na/c7-17-19(15,18-8)16-1-2(9)3(10)4(11)5(12)6(13)14;/h2-5,9-12H,1H2,(H,13,14);/q;+1/p-1",C6H13O10P.3Na,,,,,,CBQSOSFCUWVWAQ-UHFFFAOYSA-K,,,,,,,,,,,
100.053.205,258-544-1,53412-85-4,"1-[2-morpholinoethyl]-3-phenylquinazoline-2,4(1H,3H)-dione monohydrochloride","1-(2-morpholin-4-ylethyl)-3-phenylquinazoline-2,4(1H,3H)-dione hydrochloride",Cl.O=C1N(CCN2CCOCC2)c3ccccc3C(=O)N1c4ccccc4,Cl.O=C1N(CCN2CCOCC2)c3ccccc3C(=O)N1c4ccccc4,"InChI=1/C20H21N3O3.ClH/c24-19-17-8-4-5-9-18(17)22(11-10-21-12-14-26-15-13-21)20(25)23(19)16-6-2-1-3-7-16;/h1-9H,10-15H2;1H",C20H21N3O3.ClH,,,,,,MFLQZNBZGHJWPK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.209,258-548-3,53423-65-7,"Sodium 2,4,5-trichlorobenzenesulphonate","sodium 2,4,5-trichlorobenzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,[Na+].[O-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H3Cl3O3S.Na/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;/h1-2H,(H,10,11,12);/q;+1/p-1",C6H3Cl3O3S.Na,,,,,,OMVLAGBUFPUMGQ-UHFFFAOYSA-M,,,,,,,,,,,
100.062.540,268-815-6,68140-79-4,"2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-(2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CN(CCO)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,[Cl-].CN(CCO)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C22H27N2O.ClH/c1-22(2)19-7-5-6-8-20(19)24(4)21(22)14-11-17-9-12-18(13-10-17)23(3)15-16-25;/h5-14,25H,15-16H2,1-4H3;1H/q+1;/p-1",C22H27N2O.Cl,,,,,,CNDSGMUBKLFQGY-UHFFFAOYSA-M,,,,,,,,,,,
100.062.542,268-817-7,68140-93-2,"1-ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate",1-ethyl-2-heptadec-1-en-1-yl-3-(2-hydroxyethyl)imidazolidin-1-ium ethyl sulfate,OCCN1CC[NH+](CC)C1C=CCCCCCCCCCCCCCCC.[O-]S(=O)(=O)OCC,OCCN1CC[NH+](CC)C1C=CCCCCCCCCCCCCCCC.[O-]S(=O)(=O)OCC,"InChI=1/C24H48N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h18-19,24,27H,3-17,20-23H2,1-2H3;2H2,1H3,(H,3,4,5)",C24H47N2O.C2H5O4S,,,,,,QRQIRIUWDGWEPG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.544,268-819-8,68140-96-5,3-(2-butoxyethoxy)propiononitrile,3-(2-butoxyethoxy)propanenitrile,CCCCOCCOCCC#N,CCCCOCCOCCC#N,"InChI=1/C9H17NO2/c1-2-3-6-11-8-9-12-7-4-5-10/h2-4,6-9H2,1H3",C9H17NO2,,,,,,OSUBSXBLNSDLKI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.300,275-153-1,71042-69-8,"2-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]ethylidene]-3-ethyl-2,3-dihydrobenzoxazole-5-sulphonic acid","3-ethyl-2-{2-[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethylidene}-2,3-dihydro-1,3-benzoxazole-5-sulfonic acid",OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC=C3Oc2ccc(cc2N3CC)S(O)(=O)=O)C4=O,OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC=C3Oc2ccc(cc2N3CC)S(O)(=O)=O)C4=O,"InChI=1/C21H19N3O8S2/c1-3-23-18-12-16(34(29,30)31)8-10-19(18)32-20(23)11-9-17-13(2)22-24(21(17)25)14-4-6-15(7-5-14)33(26,27)28/h4-12H,3H2,1-2H3,(H,26,27,28)(H,29,30,31)",C21H19N3O8S2,,,,,,MMSRNPCMCXOHKO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.308,275-162-0,71074-89-0,Bis[(dimethylamino)methyl]phenol,"2,3-bis[(dimethylamino)methyl]phenol",CN(C)Cc1cccc(O)c1CN(C)C,CN(C)Cc1cccc(O)c1CN(C)C,"InChI=1/C12H20N2O/c1-13(2)8-10-6-5-7-12(15)11(10)9-14(3)4/h5-7,15H,8-9H2,1-4H3",C12H20N2O,,,,,,HCKPQGBXPQNMKU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.309,275-163-6,71074-91-4,"2-(2,2,2-trifluoro-1-phenylethoxy)butyric acid","2-(2,2,2-trifluoro-1-phenylethoxy)butanoic acid",CCC(OC(c1ccccc1)C(F)(F)F)C(=O)O,CCC(OC(c1ccccc1)C(F)(F)F)C(=O)O,"InChI=1/C12H13F3O3/c1-2-9(11(16)17)18-10(12(13,14)15)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,16,17)",C12H13F3O3,,,,,,FEMGBYBAJXQFNH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.317,275-172-5,71077-16-2,"Pyridine, C1-3-alkyl derivs.",4-ethylpyridine,CCc1ccncc1,CCc1ccncc1,"InChI=1/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3",-,,,,,,VJXRKZJMGVSXPX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.318,275-173-0,71077-30-0,"8-butoxy-2,6-dimethyloct-2-ene","8-butoxy-2,6-dimethyloct-2-ene",CCCCOCCC(C)CCC=C(C)C,CCCCOCCC(C)CCC=C(C)C,"InChI=1/C14H28O/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3",C14H28O,,,,,,ZEBHRRNMSFKVIM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.321,275-176-7,71077-33-3,Butyl bis(4-hydroxyphenyl)acetate,butyl bis(4-hydroxyphenyl)acetate,CCCCOC(=O)C(c1ccc(O)cc1)c2ccc(O)cc2,CCCCOC(=O)C(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C18H20O4/c1-2-3-12-22-18(21)17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,19-20H,2-3,12H2,1H3",C18H20O4,,,,,,RFAHZZDUNWEBLG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.322,275-177-2,71077-34-4,Sodium p-(3-amino-4-methylbenzamido)benzenesulphonate,sodium 4-[(3-amino-4-methylbenzoyl)amino]benzenesulfonate,[Na+].Cc1ccc(cc1N)C(=O)Nc2ccc(cc2)S(=O)(=O)[O-],[Na+].Cc1ccc(cc1N)C(=O)Nc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C14H14N2O4S.Na/c1-9-2-3-10(8-13(9)15)14(17)16-11-4-6-12(7-5-11)21(18,19)20;/h2-8H,15H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1",C14H14N2O4S.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7571,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.322,QJGAGCZWQGHNDW-UHFFFAOYSA-M,,,,,,,,,,,
100.068.328,275-184-0,71079-19-1,Timegadine,"1-cyclohexyl-2-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine",Cc2nc1ccccc1c(c2)N=C(NC3CCCCC3)Nc4nccs4,Cc2nc1ccccc1c(c2)N=C(NC3CCCCC3)Nc4nccs4,"InChI=1/C20H23N5S/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,21,22,23,24,25)",C20H23N5S,,,,,,SQVNITZYWXMWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.333,275-189-8,71093-29-3,"4,5-dihydro-2-[(5,6,7,8-tetrahydro-1-naphthyl)methyl]-1H-imidazolium nitrate","2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazol-1-ium nitrate",[O-][N+](=O)[O-].C(C1=NCC[NH2+]1)c2cccc3CCCCc23,[O-][N+](=O)[O-].C(C1=NCC[NH2+]1)c2cccc3CCCCc23,"InChI=1/C14H18N2.NO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h3,5-6H,1-2,4,7-10H2,(H,15,16);/q;-1/p+1",C14H18N2.HNO3,,,,,,MRDCTOJXYQOUCU-UHFFFAOYSA-O,,,,,,,,,,,
100.072.408,279-672-4,81029-02-9,"2-[(2-chloro-1,1,2-trifluoroethyl)thio]aniline","2-[(2-chloro-1,1,2-trifluoroethyl)sulfanyl]aniline",Nc1ccccc1SC(F)(F)C(F)Cl,Nc1ccccc1SC(F)(F)C(F)Cl,"InChI=1/C8H7ClF3NS/c9-7(10)8(11,12)14-6-4-2-1-3-5(6)13/h1-4,7H,13H2",C8H7ClF3NS,,,,,,FCZIJASKFXRHTO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.049,283-685-0,84696-78-6,9-(4-cycloocten-1-yl)-9-phosphabicyclo[4.2.1]nonane,9-cyclooct-4-en-1-yl-9-phosphabicyclo[4.2.1]nonane,C1CCC2CCC(C1)P2C3CCCC=CCC3,C1CCC2CCC(C1)P2C3CCCC=CCC3,"InChI=1/C16H27P/c1-2-4-8-14(9-5-3-1)17-15-10-6-7-11-16(17)13-12-15/h1-2,14-16H,3-13H2",C16H27P,,,,,,YOSIWJIGKTUIIR-UPHRSURJSA-N,,,,,,,,,,,
100.076.050,283-686-6,84696-79-7,9-(octahydro-1-pentalenyl)-9-phosphabicyclo[4.2.1]nonane,9-(octahydropentalen-1-yl)-9-phosphabicyclo[4.2.1]nonane,C1CCC2CCC(C1)P2C3CCC4CCCC34,C1CCC2CCC(C1)P2C3CCC4CCCC34,"InChI=1/C16H27P/c1-2-6-14-10-9-13(5-1)17(14)16-11-8-12-4-3-7-15(12)16/h12-16H,1-11H2",C16H27P,,,,,,WWUJFEONBGZZTI-UHFFFAOYSA-N,,,,,,,,,,,
100.076.051,283-687-1,84696-80-0,(hydroxyethyl)ammonium sodium sulphite,1-hydroxyethanaminium sodium sulfite,[Na+].CC([NH3+])O.[O-]S(=O)[O-],[Na+].CC([NH3+])O.[O-]S(=O)[O-],"InChI=1/C2H7NO.Na.H2O3S/c1-2(3)4;;1-4(2)3/h2,4H,3H2,1H3;;(H2,1,2,3)/q;+1;/p-1",C2H7NO.H2O3S.Na,,,,,,SEWXRPNFRCMBNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.076.052,283-688-7,84696-81-1,"Ethyl 3-hydroxy-3,7-dimethyloctanoate","ethyl 3-hydroxy-3,7-dimethyloctanoate",CCOC(=O)CC(C)(O)CCCC(C)C,CCOC(=O)CC(C)(O)CCCC(C)C,"InChI=1/C12H24O3/c1-5-15-11(13)9-12(4,14)8-6-7-10(2)3/h10,14H,5-9H2,1-4H3",C12H24O3,,,,,,QUSPFYJNPGLTDI-UHFFFAOYSA-N,,,,,,,,,,,
100.076.055,283-691-3,84696-84-4,"3-(1,3-butadienyl)-2,4,4-trimethylcyclohex-2-en-1-one","3-buta-1,3-dien-1-yl-2,4,4-trimethylcyclohex-2-en-1-one",CC1(C)CCC(=O)C(\\C)=C1\\C=CC=C,CC1(C)CCC(=O)C(\C)=C1\C=CC=C,"InChI=1/C13H18O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-7H,1,8-9H2,2-4H3",C13H18O,,,,,,NSFWSHKUSWODJO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.056,283-692-9,84696-85-5,2-methylbut-2-enyl 2-methylbutyrate,2-methylbut-2-en-1-yl 2-methylbutanoate,CC=C(C)COC(=O)C(C)CC,CC=C(C)COC(=O)C(C)CC,"InChI=1/C10H18O2/c1-5-8(3)7-12-10(11)9(4)6-2/h5,9H,6-7H2,1-4H3",C10H18O2,,,,,,NLADHFLYQUEJGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.061,283-698-1,84696-90-2,Diethyl [(5-chloro-4-methyl-2-sulphophenyl)azo]malonate,4-chloro-2-{[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]diazenyl}-5-methylbenzenesulfonic acid,Cc1cc(c(cc1Cl)N=NC(C(=O)OCC)C(=O)OCC)S(O)(=O)=O,Cc1cc(c(cc1Cl)N=NC(C(=O)OCC)C(=O)OCC)S(O)(=O)=O,"InChI=1/C14H17ClN2O7S/c1-4-23-13(18)12(14(19)24-5-2)17-16-10-7-9(15)8(3)6-11(10)25(20,21)22/h6-7,12H,4-5H2,1-3H3,(H,20,21,22)",C14H17ClN2O7S,,,,,,JUIHWJWUBFEXDS-UHFFFAOYSA-N,,,,,,,,,,,
100.076.069,283-706-3,84696-98-0,Potassium trihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,potassium trihydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.K/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-4",C4H13NO7P2.K,,,,,,WYKWZJZIPWFAFX-UHFFFAOYSA-J,,,,,,,,,,,
100.076.075,283-713-1,84697-04-1,(p-chlorobenzyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,"N-(4-chlorobenzyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1,"InChI=1/C30H53ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(34)32-25-19-26-33(2,3)27-28-21-23-29(31)24-22-28;/h21-24H,4-20,25-27H2,1-3H3;1H",C30H54ClN2O.Cl,,,,,,QXOXRMVPVOLDFY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.080,283-718-9,84697-09-6,2-[(4-methylphenyl)methylene]heptan-1-al,2-(4-methylbenzylidene)heptanal,O=CC(CCCCC)=Cc1ccc(C)cc1,O=CC(CCCCC)=Cc1ccc(C)cc1,"InChI=1/C15H20O/c1-3-4-5-6-15(12-16)11-14-9-7-13(2)8-10-14/h7-12H,3-6H2,1-2H3",C15H20O,,,,,,VHBOIZSCWFNPBM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.083,283-722-0,84697-12-1,"1,1'-methylenebis[3-(2-hydroxyethyl)pyrrolidin-2-one]","1,1'-methylenebis[3-(2-hydroxyethyl)pyrrolidin-2-one]",OCCC1CCN(CN2CCC(CCO)C2=O)C1=O,OCCC1CCN(CN2CCC(CCO)C2=O)C1=O,"InChI=1/C13H22N2O4/c16-7-3-10-1-5-14(12(10)18)9-15-6-2-11(4-8-17)13(15)19/h10-11,16-17H,1-9H2",C13H22N2O4,,,,,,OLOQISZYVGCIPI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.127,258-458-4,53280-15-2,Disulphur diiodide,disulphur diiodide,[SH4+2].[SH4+2].[I-].[I-],[SH4+2].[SH4+2].[I-].[I-],InChI=1/2HI.2H4S/h2*1H;2*1H4/q;;2*+2/p-2,I2S2,,,,,,CYYMEYNAVPSOGU-UHFFFAOYSA-L,,,,,,,,,,,
100.053.129,258-461-0,53282-28-3,"(E,E)-[3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)penta-2,4-dienyl]triphenylphosphonium chloride","[3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dien-1-yl](triphenyl)phosphonium chloride",[Cl-].C\\C(=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)\\C=C\\C4=C(C)CCCC4(C)C,[Cl-].C\C(=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)\C=C\C4=C(C)CCCC4(C)C,"InChI=1/C33H38P.ClH/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,16-24H,14-15,25-26H2,1-4H3;1H/q+1;/p-1",C33H38P.Cl,,,,,,CWNBBYCRJLETKC-IUKQBHTCSA-M,,,,,,,,,,,
100.053.133,258-465-2,53304-32-8,"7H-benzimidazo[2,1-a]benzo[3,4][2]benzothiopyrano[7,8,1-def]isoquinolin-7-one","7H-benzimidazo[2,1-a]benzo[3,4]isothiochromeno[7,8,1-def]isoquinolin-7-one",O=C1c2ccc3c4ccccc4Sc5ccc(c6nc7ccccc7n16)c2c35,O=C1c2ccc3c4ccccc4Sc5ccc(c6nc7ccccc7n16)c2c35,InChI=1/C24H12N2OS/c27-24-16-10-9-14-13-5-1-4-8-19(13)28-20-12-11-15(21(16)22(14)20)23-25-17-6-2-3-7-18(17)26(23)24/h1-12H,C24H12N2OS,,,,,,ILJFZTTYWNIYPS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.915,282-433-7,84196-23-6,"1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium thiocyanate","1,3,3-trimethyl-2-[methyl(4-methylphenyl)carbonohydrazonoyl]-3H-indolium thiocyanate",[S-]C#N.Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[S-]C#N.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3.CHNS/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;2-1-3/h6-14H,1-5H3;3H/q+1;/p-1",C20H24N3.CNS,,,,,,ZZDGSNURKRZVBR-UHFFFAOYSA-M,,,,,,,,,,,
100.074.916,282-434-2,84196-24-7,"2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium thiocyanate","2-{2-[(4-methoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium thiocyanate",COc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[S-]C#N,COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[S-]C#N,"InChI=1/C20H22N2O.CHNS/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;2-1-3/h5-14H,1-4H3;3H",C20H23N2O.CNS,,,,,,ZBDRPYAJKGDWMA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.918,282-436-3,84196-26-9,"Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium, compound with N,N'-diphenylguanidine (1:1)","hydrogen 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate 1,3-diphenylguanidine (1:1)",CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC.N=C(Nc5ccccc5)Nc6ccccc6,CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC.N=C(Nc5ccccc5)Nc6ccccc6,"InChI=1/C27H30N2O7S2.C13H13N3/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);1-10H,(H3,14,15,16)/p-1",C27H30N2O7S2.C13H13N3,,,,,,MQBUWMCGNZZCMS-UHFFFAOYSA-L,,,,,,,,,,,
100.074.928,282-447-3,84215-42-9,"Zinc 2,5,5-trimethylhexanoate","zinc bis(2,5,5-trimethylhexanoate)",[Zn+2].CC(CCC(C)(C)C)C(=O)[O-].CC(CCC(C)(C)C)C(=O)[O-],[Zn+2].CC(CCC(C)(C)C)C(=O)[O-].CC(CCC(C)(C)C)C(=O)[O-],"InChI=1/2C9H18O2.Zn/c2*1-7(8(10)11)5-6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Zn,,,,,,OVFCAWFVCNJLFR-UHFFFAOYSA-L,,,,,,,,,,,
100.074.929,282-448-9,84215-43-0,"Cobalt bis(2,5,5-trimethylhexanoate)","cobalt(2+) bis(2,5,5-trimethylhexanoate)",[Co+2].CC(CCC(C)(C)C)C(=O)[O-].CC(CCC(C)(C)C)C(=O)[O-],[Co+2].CC(CCC(C)(C)C)C(=O)[O-].CC(CCC(C)(C)C)C(=O)[O-],"InChI=1/2C9H18O2.Co/c2*1-7(8(10)11)5-6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Co,,,,,,BJUHRJZEHXEVKP-UHFFFAOYSA-L,,,,,,,,,,,
100.074.935,282-455-7,84215-49-6,"4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis[N,N-dimethylaniline] monohydrochloride","4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis(N,N-dimethylaniline) hydrochloride",Cl.CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C,Cl.CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C,"InChI=1/C23H25N3.ClH/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24)12-6-17)19-9-15-22(16-10-19)26(3)4;/h5-16,24H,1-4H3;1H",C23H25N3.ClH,,,,,,WWKGVZASJYXZKN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.941,282-462-5,84215-55-4,Trisodium hydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,trisodium hydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[Na+].[Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.3Na/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4",C4H13NO7P2.3Na,,,,,,IOVSFBPYZNHZGM-UHFFFAOYSA-J,,,,,,,,,,,
100.077.681,285-479-6,85099-24-7,"1,19-dichloro-7,10,13,16-tetrakis(3-chloro-2-hydroxypropyl)-4,7,10,13,16-pentaazanonadecane-2,18-diol","1,19-dichloro-4,7,10,13-tetrakis(3-chloro-2-hydroxypropyl)-4,7,10,13,16-pentaazanonadecane-2,18-diol",OC(CCl)CNCCN(CCN(CCN(CCN(CC(O)CCl)CC(O)CCl)CC(O)CCl)CC(O)CCl)CC(O)CCl,OC(CCl)CNCCN(CCN(CCN(CCN(CC(O)CCl)CC(O)CCl)CC(O)CCl)CC(O)CCl)CC(O)CCl,"InChI=1/C26H53Cl6N5O6/c27-9-21(38)15-33-1-2-34(16-22(39)10-28)3-4-35(17-23(40)11-29)5-6-36(18-24(41)12-30)7-8-37(19-25(42)13-31)20-26(43)14-32/h21-26,33,38-43H,1-20H2",C26H53Cl6N5O6,,,,,,HJWVJBQBDAWYPY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.682,285-480-1,85099-25-8,Cyclohexyldimethylammonium dihydrogen phosphate,"N,N-dimethylcyclohexanaminium dihydrogen phosphate",C[NH+](C)C1CCCCC1.[O-]P(=O)([O-])[O-],C[NH+](C)C1CCCCC1.[O-]P(=O)([O-])[O-],"InChI=1/C8H17N.H3O4P/c1-9(2)8-6-4-3-5-7-8;1-5(2,3)4/h8H,3-7H2,1-2H3;(H3,1,2,3,4)/p-2",C8H17N.H3O4P,,,,,,XVPMBDHPANGVNC-UHFFFAOYSA-L,,,,,,,,,,,
100.077.685,285-483-8,85099-28-1,2-chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium tetrafluoroborate,2-chloro-5-methoxy-4-(pyridin-2-ylamino)benzenediazonium tetrafluoroborate,COc1cc([N+]#N)c(Cl)cc1Nc2ccccn2.F[B-](F)(F)F,COc1cc([N+]#N)c(Cl)cc1Nc2ccccn2.F[B-](F)(F)F,"InChI=1/C12H10ClN4O.BF4/c1-18-11-7-9(17-14)8(13)6-10(11)16-12-4-2-3-5-15-12;2-1(3,4)5/h2-7H,1H3,(H,15,16);/q+1;-1",C12H10ClN4O.BF4,,,,,,SKDRZGHLXVFLCW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.689,285-488-5,85099-32-7,"2,3,5,5-tetramethylhexanol","2,3,5,5-tetramethylhexan-1-ol",CC(CO)C(C)CC(C)(C)C,CC(CO)C(C)CC(C)(C)C,"InChI=1/C10H22O/c1-8(9(2)7-11)6-10(3,4)5/h8-9,11H,6-7H2,1-5H3",C10H22O,,,,,,BCTJQQUHPWYVBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.690,285-489-0,85099-33-8,ß-methyl-ß-propylphenethyl alcohol,2-methyl-2-phenylpentan-1-ol,CCCC(C)(CO)c1ccccc1,CCCC(C)(CO)c1ccccc1,"InChI=1/C12H18O/c1-3-9-12(2,10-13)11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3",C12H18O,,,,,,OWEDJRDRHPIFFO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.865,269-172-4,68189-01-5,"Phosphoric acid, 2-ethylhexyl ester, compd. with 2,2',2''-nitrilotris[ethanol]","2-ethylhexyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCC(CC)COP(=O)(O)O.OCCN(CCO)CCO,CCCCC(CC)COP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C8H19O4P.C6H15NO3/c1-3-5-6-8(4-2)7-12-13(9,10)11;8-4-1-7(2-5-9)3-6-10/h8H,3-7H2,1-2H3,(H2,9,10,11);8-10H,1-6H2",-,,,,,,PTJVHHCXRTWYEX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.872,269-180-8,68189-22-0,[3-[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]propylidyne]ethylammonium ethyl sulphate,N-(3-{bis[2-(stearoylamino)ethyl]amino}propylidyne)ethanaminium ethyl sulfate,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#[N+]CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#[N+]CC.CCOS(=O)(=O)[O-],"InChI=1/C45H88N4O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(50)47-39-42-49(41-35-38-46-6-3)43-40-48-45(51)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-37,39-43H2,1-3H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5)",C45H89N4O2.C2H5O4S,,,,,,HRXITENIGSVCFD-UHFFFAOYSA-N,,,,,,,,,,,
100.062.873,269-181-3,68189-23-1,4-(diethylamino)benzaldehyde diphenylhydrazone,"4-(diphenylcarbonohydrazonoyl)-N,N-diethylaniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3ccccc3)cc1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3ccccc3)cc1,"InChI=1/C23H25N3/c1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3",C23H25N3,,,,,,YGBCLRRWZQSURU-LYBHJNIJSA-N,,,,,,,,,,,
100.063.000,269-321-3,68214-82-4,"Disodium hydrogen 5-amino-3-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium hydrogen 5-amino-3-({4'-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[H+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)c3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[H+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)c3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C32H24N6O11S3.2Na.H2/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40;;;/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;1H/q;3*+1/p-3",C32H24N6O11S3.2Na,,,,,,KMGRDXNWDOWNGW-UHFFFAOYSA-L,,,,,,,,,,,
100.063.003,269-325-5,68226-87-9,"Tetralithium 4,4'-carbonylbisphthalate","tetralithium 4,4'-carbonyldiphthalate",[Li+].[Li+].[Li+].[Li+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],[Li+].[Li+].[Li+].[Li+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],"InChI=1/C17H10O9.4Li/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4",C17H10O9.4Li,,,,,,SFTBFOWLRGIKIF-UHFFFAOYSA-J,,,,,,,,,,,
100.063.005,269-327-6,68226-89-1,"Trirubidium hydrogen 4,4'-carbonylbisphthalate","trirubidium hydrogen 4,4'-carbonyldiphthalate",[Rb+].[Rb+].[Rb+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],[Rb+].[Rb+].[Rb+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],"InChI=1/C17H10O9.3Rb/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-4",C17H10O9.3Rb,,,,,,GWFJJCURDICBCX-UHFFFAOYSA-J,,,,,,,,,,,
100.063.006,269-328-1,68226-90-4,"Tripotassium hydrogen 4,4'-carbonylbisphthalate","tripotassium hydrogen 4,4'-carbonyldiphthalate",[K+].[K+].[K+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],[K+].[K+].[K+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],"InChI=1/C17H10O9.3K/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-4",C17H10O9.3K,,,,,,COHGWCHNMXQLHV-UHFFFAOYSA-J,,,,,,,,,,,
100.063.007,269-329-7,68226-91-5,"Trisodium hydrogen 4,4'-carbonylbisphthalate","trisodium hydrogen 4,4'-carbonyldiphthalate",[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],"InChI=1/C17H10O9.3Na/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-4",C17H10O9.3Na,,,,,,UBLAECHSLZLTKW-UHFFFAOYSA-J,,,,,,,,,,,
100.063.012,269-334-4,68226-96-0,"Carbonic acid, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)","carbonic acid - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)",NC(CO)(CO)CO.OC(=O)O,NC(CO)(CO)CO.OC(=O)O,"InChI=1/C4H11NO3.CH2O3/c5-4(1-6,2-7)3-8;2-1(3)4/h6-8H,1-3,5H2;(H2,2,3,4)",C4H11NO3.CH2O3,,,,,,PYMJUZVLPJGKIP-UHFFFAOYSA-N,,,,,,,,,,,
100.063.015,269-338-6,68227-24-7,"Octyl dihydrogen phosphate, compound with 1-aminopropan-2-ol",octyl dihydrogen phosphate - 1-aminopropan-2-ol (1:1),CCCCCCCCOP(=O)(O)O.CC(O)CN,CCCCCCCCOP(=O)(O)O.CC(O)CN,"InChI=1/C8H19O4P.C3H9NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3(5)2-4/h2-8H2,1H3,(H2,9,10,11);3,5H,2,4H2,1H3",C8H19O4P.xC3H9NO,,,,,,MSXQATXPWBOUPH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.412,279-677-1,81034-75-5,"2-ethylhexyl 4,4-dibutyl-12-ethyl-6,9-dioxo-5,10-dioxa-3-thia-4-stannahexadec-7-enoate","2-ethylhexyl 4,4-dibutyl-12-ethyl-6,9-dioxo-5,10-dioxa-3-thia-4-stannahexadec-7-en-1-oate",O=C(O[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)CCCC)C=CC(=O)OCC(CC)CCCC,O=C(O[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)CCCC)C=CC(=O)OCC(CC)CCCC,"InChI=1/C12H20O4.C10H20O2S.2C4H9.Sn/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-4-2;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC30H56O6SSn/c1-7-13-17-26(11-5)23-34-28(31)19-20-29(32)36-38(21-15-9-3,22-16-10-4)37-25-30(33)35-24-27(12-6)18-14-8-2/h19-20,26-27H,7-18,21-25H2,1-6H3",C30H56O6SSn,,,,,,HFPYHAMWCNWPNN-UHFFFAOYSA-L,,,,,,,,,,,
100.072.416,279-681-3,81064-47-3,"Trisodium 4-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulphonato-1-naphthyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","trisodium 4-({2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]-5-[(4-sulfonato-1-naphthyl)diazenyl]phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc5c(cc(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c5N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc6ccc(cc6)[N+]([O-])=O,[Na+].[Na+].[Na+].Oc5c(cc(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c5N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc6ccc(cc6)[N+]([O-])=O,"InChI=1/C32H21N7O14S3.3Na/c40-27-14-20(55(48,49)50)12-16-11-19(54(45,46)47)13-24(29(16)27)35-38-30-31(41)25(36-33-17-5-7-18(8-6-17)39(43)44)15-26(32(30)42)37-34-23-9-10-28(56(51,52)53)22-4-2-1-3-21(22)23;;;/h1-15,40-42H,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C32H21N7O14S3.3Na,,,,,,DCMDMLUMPRMKBM-UHFFFAOYSA-K,,,,,,,,,,,
100.072.417,279-682-9,81064-48-4,"Disodium 5-(benzoylamino)-3-[(2,5-dimethylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 5-(benzoylamino)-3-[(2,5-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c2cc(NC(=O)c1ccccc1)c4c(c2)cc(c(N=Nc3cc(C)ccc3C)c4O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c2cc(NC(=O)c1ccccc1)c4c(c2)cc(c(N=Nc3cc(C)ccc3C)c4O)S([O-])(=O)=O,"InChI=1/C25H21N3O8S2.2Na/c1-14-8-9-15(2)19(10-14)27-28-23-21(38(34,35)36)12-17-11-18(37(31,32)33)13-20(22(17)24(23)29)26-25(30)16-6-4-3-5-7-16;;/h3-13,29H,1-2H3,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C25H21N3O8S2.2Na,,,,,,ITNKOHPAPJRWHQ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.418,279-683-4,81064-49-5,"Trisodium 4-amino-3-[(2,5-dichloro-4-sulphonatophenyl)azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc4cc(c(Cl)cc4N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc4cc(c(Cl)cc4N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C22H15Cl2N5O10S3.3Na/c23-12-9-15(40(31,32)33)13(24)8-14(12)27-28-20-16(41(34,35)36)6-10-7-17(42(37,38)39)21(22(30)18(10)19(20)25)29-26-11-4-2-1-3-5-11;;;/h1-9,30H,25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3",C22H15Cl2N5O10S3.3Na,,,,,,WLQCJIXCRMORLE-UHFFFAOYSA-K,,,,,,,,,,,
100.072.421,279-687-6,81098-57-9,"Salicylic acid, compound with 1,2-dihydro-4-(isopropylamino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)","2-hydroxybenzoic acid - 4-(isopropylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1:1)",CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2.OC(=O)c3ccccc3O,CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2.OC(=O)c3ccccc3O,"InChI=1/C14H19N3O.C7H6O3/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12;8-6-4-2-1-3-5(6)7(9)10/h5-10,15H,1-4H3;1-4,8H,(H,9,10)",C14H19N3O.C7H6O3,,,,,,ARNJMPWHUFYZSB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.429,279-696-5,81148-78-9,Docosyloxirane,2-docosyloxirane,CCCCCCCCCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCCCCCCCCC1CO1,"InChI=1/C24H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23-25-24/h24H,2-23H2,1H3",C24H48O,,,,,,JCGRTWRFDLWVDA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.433,279-700-5,81173-72-0,"4-amino-3,6-bis[[5-[[4-chloro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-3,6-bis{[5-({4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonic acid",Cc8ccccc8Nc1nc(nc(Cl)n1)Nc7cc(N=Nc6c(cc5cc(c(N=Nc4cc(Nc3nc(Nc2ccccc2C)nc(Cl)n3)ccc4S(O)(=O)=O)c(O)c5c6N)S(O)(=O)=O)S(O)(=O)=O)c(cc7)S(O)(=O)=O,Cc8ccccc8Nc1nc(nc(Cl)n1)Nc7cc(N=Nc6c(cc5cc(c(N=Nc4cc(Nc3nc(Nc2ccccc2C)nc(Cl)n3)ccc4S(O)(=O)=O)c(O)c5c6N)S(O)(=O)=O)S(O)(=O)=O)c(cc7)S(O)(=O)=O,"InChI=1/C42H33Cl2N15O13S4/c1-19-7-3-5-9-24(19)48-41-52-37(43)50-39(54-41)46-22-11-13-28(73(61,62)63)26(17-22)56-58-34-30(75(67,68)69)15-21-16-31(76(70,71)72)35(36(60)32(21)33(34)45)59-57-27-18-23(12-14-29(27)74(64,65)66)47-40-51-38(44)53-42(55-40)49-25-10-6-4-8-20(25)2/h3-18,60H,45H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,46,48,50,52,54)(H2,47,49,51,53,55)",C42H33Cl2N15O13S4,,,,,,XRCOWDWRWQBLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.440,279-707-3,81207-66-1,"1-chloro-2,3-dimethoxy-N,N-dimethylallylamine hydrochloride","1-chloro-2,3-dimethoxy-N,N-dimethylprop-2-en-1-amine hydrochloride",Cl.CO\\C=C(/OC)\\C(Cl)N(C)C,Cl.CO\C=C(/OC)\C(Cl)N(C)C,"InChI=1/C7H14ClNO2.ClH/c1-9(2)7(8)6(11-4)5-10-3;/h5,7H,1-4H3;1H",C7H14ClNO2.ClH,,,,,,UKNMELJNRKPXRL-YSMBQZINSA-N,,,,,,,,,,,
100.074.327,281-785-9,84030-15-9,N-(4-dodecylphenyl)-3-oxobutyramide,N-(4-dodecylphenyl)-3-oxobutanamide,CCCCCCCCCCCCc1ccc(NC(=O)CC(=O)C)cc1,CCCCCCCCCCCCc1ccc(NC(=O)CC(=O)C)cc1,"InChI=1/C22H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)23-22(25)18-19(2)24/h14-17H,3-13,18H2,1-2H3,(H,23,25)",C22H35NO2,,,,,,NRRVZLFVFLROGI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.137,258-469-4,53306-54-0,Bis(2-propylheptyl) phthalate,bis(2-propylheptyl) phthalate,CCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCC,CCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCC,"InChI=1/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3",C28H46O4,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14145,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.137,MTYUOIVEVPTXFX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.139,258-472-0,53314-61-7,Isobutyl (2-hydroxyethyl)methylphosphinate,isobutyl (2-hydroxyethyl)methylphosphinate,CC(C)COP(=O)(C)CCO,CC(C)COP(=O)(C)CCO,"InChI=1/C7H17O3P/c1-7(2)6-10-11(3,9)5-4-8/h7-8H,4-6H2,1-3H3",C7H17O3P,,,,,,UDQBLBPJVKUWET-UHFFFAOYSA-N,,,,,,,,,,,
100.053.142,258-475-7,53317-05-8,"3,4,5-tribromo-2-thenoic acid","3,4,5-tribromothiophene-2-carboxylic acid",OC(=O)c1sc(Br)c(Br)c1Br,OC(=O)c1sc(Br)c(Br)c1Br,"InChI=1/C5HBr3O2S/c6-1-2(7)4(8)11-3(1)5(9)10/h(H,9,10)",C5HBr3O2S,,,,,,QEZRPOCNDKTQJO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.148,258-482-5,53332-30-2,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-methionine, compound with cyclohexylamine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-methionine - cyclohexanamine (1:1),CSCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,CSCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,"InChI=1/C17H22N2O4S2.C6H13N/c1-19(2)15-8-4-7-13-12(15)6-5-9-16(13)25(22,23)18-14(17(20)21)10-11-24-3;7-6-4-2-1-3-5-6/h4-9,14,18H,10-11H2,1-3H3,(H,20,21);6H,1-5,7H2",C17H22N2O4S2.C6H13N,,,,,,JVYRCTROPFAGGR-UQKRIMTDSA-N,,,,,,,,,,,
100.053.162,258-497-7,53363-87-4,"N-(benzyloxycarbonyl)-L-leucine, compound with dicyclohexylamine (1:1)",N-[(benzyloxy)carbonyl]-L-leucine - N-cyclohexylcyclohexanamine (1:1),CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C14H19NO4.C12H23N/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2",C14H19NO4.C12H23N,,,,,,FOULZFSGIVQTHX-YDALLXLXSA-N,,,,,,,,,,,
100.071.081,278-213-5,75444-65-4,Pirenperone,"3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=C(CCN2CCC(CC2)C(=O)c3ccc(F)cc3)C(=O)N4C=CC=CC4=N1,CC1=C(CCN2CCC(CC2)C(=O)c3ccc(F)cc3)C(=O)N4C=CC=CC4=N1,"InChI=1/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3",C23H24FN3O2,,,,,,HXCNRYXBZNHDNE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.085,278-217-7,75472-91-2,"(2S-cis)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride","5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one hydrochloride",Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O,Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O,"InChI=1/C20H24N2O3S.ClH/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19,23H,12-13H2,1-3H3;1H",C20H24N2O3S.ClH,,,,,,XNQWAVFYFJXSHD-VOMIJIAVSA-N,,,,,,,,,,,
100.071.087,278-219-8,75476-94-7,1-[(2-ethylhexyl)amino]-4-(methylamino)anthraquinone,"1-[(2-ethylhexyl)amino]-4-(methylamino)-9,10-anthraquinone",CCCCC(CC)CNc1ccc(NC)c2C(=O)c3ccccc3C(=O)c12,CCCCC(CC)CNc1ccc(NC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C23H28N2O2/c1-4-6-9-15(5-2)14-25-19-13-12-18(24-3)20-21(19)23(27)17-11-8-7-10-16(17)22(20)26/h7-8,10-13,15,24-25H,4-6,9,14H2,1-3H3",C23H28N2O2,,,,,,QJQBYILFKAVOTC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.088,278-220-3,75476-99-2,"2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[2-[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-4-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:5)","5-amino-3-{[4-(2-{4-[(7-amino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]-2-sulfophenyl}vinyl)-3-sulfophenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonic acid - 2,2',2''-nitrilotriethanol (1:5)",OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc5ccc(C=Cc2ccc(cc2S(O)(=O)=O)N=Nc4c(cc3cc(cc(N)c3c4O)S(O)(=O)=O)S(O)(=O)=O)c(c5)S(O)(=O)=O.OCCN(CCO)CCO,OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc5ccc(C=Cc2ccc(cc2S(O)(=O)=O)N=Nc4c(cc3cc(cc(N)c3c4O)S(O)(=O)=O)S(O)(=O)=O)c(c5)S(O)(=O)=O.OCCN(CCO)CCO,"InChI=1/C34H26N6O17S5.5C6H15NO3/c35-20-6-3-18-10-28(61(52,53)54)31(33(41)24(18)12-20)39-37-21-7-4-16(26(13-21)59(46,47)48)1-2-17-5-8-22(14-27(17)60(49,50)51)38-40-32-29(62(55,56)57)11-19-9-23(58(43,44)45)15-25(36)30(19)34(32)42;5*8-4-1-7(2-5-9)3-6-10/h1-15,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);5*8-10H,1-6H2",C34H26N6O17S5.5C6H15NO3,,,,,,GMSTVADBTKVXFB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.090,278-222-4,75507-25-4,"1,4,7,10,13-pentaoxacyclopentadecane-2-methanol","1,4,7,10,13-pentaoxacyclopentadecan-2-ylmethanol",OCC1COCCOCCOCCOCCO1,OCC1COCCOCCOCCOCCO1,"InChI=1/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2",C11H22O6,,,,,,YHIQMMGCRYKJLB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.093,278-226-6,75508-31-5,"N,N'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenylene)]bisacetamide","N,N'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis(imino-4,1-phenylene)]diacetamide",CC(=O)Nc1ccc(Nc2ccc(Nc3ccc(NC(=O)C)cc3)c4C(=O)c5ccccc5C(=O)c24)cc1,CC(=O)Nc1ccc(Nc2ccc(Nc3ccc(NC(=O)C)cc3)c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C30H24N4O4/c1-17(35)31-19-7-11-21(12-8-19)33-25-15-16-26(34-22-13-9-20(10-14-22)32-18(2)36)28-27(25)29(37)23-5-3-4-6-24(23)30(28)38/h3-16,33-34H,1-2H3,(H,31,35)(H,32,36)",C30H24N4O4,,,,,,LIMVWSXMKAREHI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.891,280-204-6,83168-63-2,"6-amino-2,2-dimethyl-1,3-dioxepin-5-ol","6-amino-2,2-dimethyl-1,3-dioxepin-5-ol",CC1(C)OC=C(N)C(=CO1)O,CC1(C)OC=C(N)C(=CO1)O,"InChI=1/C7H11NO3/c1-7(2)10-3-5(8)6(9)4-11-7/h3-4,9H,8H2,1-2H3",C7H11NO3,,,,,,IRIRHXXUSZTSTF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.892,280-205-1,83168-64-3,"3-aminobutane-1,2,4-triol","3-aminobutane-1,2,4-triol",NC(CO)C(O)CO,NC(CO)C(O)CO,"InChI=1/C4H11NO3/c5-3(1-6)4(8)2-7/h3-4,6-8H,1-2,5H2",C4H11NO3,,,,,,PMLGQXIKBPFHJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.895,280-208-8,83171-55-5,"trans-4'-ethyl-2-fluoro-4-(4-pentylcyclohexyl)-1,1'-biphenyl",4'-ethyl-2-fluoro-4-(4-pentylcyclohexyl)biphenyl,CCCCCC1CCC(CC1)c2ccc(c(F)c2)c3ccc(CC)cc3,CCCCCC1CCC(CC1)c2ccc(c(F)c2)c3ccc(CC)cc3,"InChI=1/C25H33F/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h8-9,14-18,20-21H,3-7,10-13H2,1-2H3",C25H33F,,,,,,QVFBANOSNYADEV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.896,280-209-3,83171-86-2,1-(cyclohexyloxy)acetone,1-(cyclohexyloxy)acetone,CC(=O)COC1CCCCC1,CC(=O)COC1CCCCC1,"InChI=1/C9H16O2/c1-8(10)7-11-9-5-3-2-4-6-9/h9H,2-7H2,1H3",C9H16O2,,,,,,KCGWOYRFTUEYHC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.906,280-220-3,83221-42-5,Sodium 5-ethoxy-2-[[4-(phenylazo)phenyl]azo]benzenesulphonate,sodium 5-ethoxy-2-{[4-(phenyldiazenyl)phenyl]diazenyl}benzenesulfonate,[Na+].CCOc3ccc(N=Nc2ccc(N=Nc1ccccc1)cc2)c(c3)S([O-])(=O)=O,[Na+].CCOc3ccc(N=Nc2ccc(N=Nc1ccccc1)cc2)c(c3)S([O-])(=O)=O,"InChI=1/C20H18N4O4S.Na/c1-2-28-18-12-13-19(20(14-18)29(25,26)27)24-23-17-10-8-16(9-11-17)22-21-15-6-4-3-5-7-15;/h3-14H,2H2,1H3,(H,25,26,27);/q;+1/p-1",C20H18N4O4S.Na,,,,,,MJUTTWJVTUFSQX-UHFFFAOYSA-M,,,,,,,,,,,
100.072.911,280-226-6,83221-48-1,Pentasodium 5-[[6-amino-1-hydroxy-3-sulphonato-5-[(3-sulphonatophenyl)azo]-2-naphthyl]azo]-6-ethoxy-8-[[7-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonate,pentasodium 7-amino-3-{[2-ethoxy-6-sulfonato-4-({7-sulfonato-4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}-4-hydroxy-8-[(3-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc8ccc(N=Nc5cc(OCC)c(N=Nc4c(cc3c(N=Nc2cccc(c2)S([O-])(=O)=O)c(N)ccc3c4O)S([O-])(=O)=O)c6ccc(cc56)S([O-])(=O)=O)c7cc(ccc78)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc8ccc(N=Nc5cc(OCC)c(N=Nc4c(cc3c(N=Nc2cccc(c2)S([O-])(=O)=O)c(N)ccc3c4O)S([O-])(=O)=O)c6ccc(cc56)S([O-])(=O)=O)c7cc(ccc78)S([O-])(=O)=O,"InChI=1/C44H33N9O17S5.5Na/c1-2-70-39-22-38(50-49-37-16-15-36(29-11-9-27(19-32(29)37)73(61,62)63)48-46-23-5-3-7-25(17-23)71(55,56)57)33-20-28(74(64,65)66)10-12-30(33)42(39)52-53-43-40(75(67,68)69)21-34-31(44(43)54)13-14-35(45)41(34)51-47-24-6-4-8-26(18-24)72(58,59)60;;;;;/h3-22,54H,2,45H2,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;/q;5*+1/p-5",C44H33N9O17S5.5Na,,,,,,RCNDXBALPNORFR-UHFFFAOYSA-I,,,,,,,,,,,
100.073.109,280-443-6,83400-26-4,Calcium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-1-hydroxy-2-naphthoate,calcium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-1-hydroxy-2-naphthoate,[Ca+2].Cc1cc(c(cc1Cl)N=Nc3cc(C([O-])=O)c(O)c2ccccc23)S([O-])(=O)=O,[Ca+2].Cc1cc(c(cc1Cl)N=Nc3cc(C([O-])=O)c(O)c2ccccc23)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ca/c1-9-6-16(28(25,26)27)15(8-13(9)19)21-20-14-7-12(18(23)24)17(22)11-5-3-2-4-10(11)14;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ca,,,,,,QRZZZSKGVLXYHR-UHFFFAOYSA-L,,,,,,,,,,,
100.074.953,282-475-6,84236-26-0,(S)-5-bromo-6-methoxy-a-methylnaphthalene-1-acetic acid,2-(5-bromo-6-methoxy-1-naphthyl)propanoic acid,COc1ccc2c(cccc2c1Br)[C@H](C)C(=O)O,COc1ccc2c(cccc2c1Br)[C@H](C)C(=O)O,"InChI=1/C14H13BrO3/c1-8(14(16)17)9-4-3-5-11-10(9)6-7-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)",C14H13BrO3,,,,,,HCCFERHCGFJYGK-QMMMGPOBSA-N,,,,,,,,,,,
100.071.633,278-818-4,78014-22-9,"N-(3-methoxypropyl)-2,2,6,6-tetramethylpiperidin-4-amine","N-(3-methoxypropyl)-2,2,6,6-tetramethylpiperidin-4-amine",COCCCNC1CC(C)(C)NC(C)(C)C1,COCCCNC1CC(C)(C)NC(C)(C)C1,"InChI=1/C13H28N2O/c1-12(2)9-11(10-13(3,4)15-12)14-7-6-8-16-5/h11,14-15H,6-10H2,1-5H3",C13H28N2O,,,,,,VDGDCVKCGHKYJP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.636,278-822-6,78056-67-4,1-benzylpiperidine-4-acetonitrile,(1-benzylpiperidin-4-yl)acetonitrile,N#CCC1CCN(Cc2ccccc2)CC1,N#CCC1CCN(Cc2ccccc2)CC1,"InChI=1/C14H18N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-8,10-12H2",C14H18N2,,,,,,ZKOHFVJCKMHYSL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.637,278-823-1,78062-15-4,3-(p-isocyanatobenzyl)-p-tolyl isocyanate,4-isocyanato-2-(4-isocyanatobenzyl)-1-methylbenzene,Cc1ccc(cc1Cc2ccc(cc2)N=C=O)N=C=O,Cc1ccc(cc1Cc2ccc(cc2)N=C=O)N=C=O,"InChI=1/C16H12N2O2/c1-12-2-5-16(18-11-20)9-14(12)8-13-3-6-15(7-4-13)17-10-19/h2-7,9H,8H2,1H3",C16H12N2O2,,,,,,OLUYDRJODDTVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.947,280-265-9,83232-33-1,"Potassium sodium 7-hydroxy-8-(phenylazo)naphthalene-1,3-disulphonate","potassium sodium 7-hydroxy-8-(phenyldiazenyl)naphthalene-1,3-disulfonate",[K+].[Na+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O,[K+].[Na+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O,"InChI=1/C16H12N2O7S2.K.Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H12N2O7S2.xK.xNa,,,,,,HJLBKTYQRKJYAL-UHFFFAOYSA-L,,,,,,,,,,,
100.063.020,269-343-3,68227-29-2,"N-carboxymethyl-N2-hydroxyethylglycine, compound with 1,4-diazabicyclo[2.2.2]octane (2:1)","2,2'-[(1-hydroxyethyl)imino]diacetic acid - 1,4-diazabicyclo[2.2.2]octane (2:1)",CC(O)N(CC(=O)O)CC(=O)O.CC(O)N(CC(=O)O)CC(=O)O.C1CN2CCN1CC2,CC(O)N(CC(=O)O)CC(=O)O.CC(O)N(CC(=O)O)CC(=O)O.C1CN2CCN1CC2,"InChI=1/C6H12N2.2C6H11NO5/c1-2-8-5-3-7(1)4-6-8;2*1-4(8)7(2-5(9)10)3-6(11)12/h1-6H2;2*4,8H,2-3H2,1H3,(H,9,10)(H,11,12)",C6H12N2.2C6H11NO5,,,,,,PAXNYNLXWTUHCK-UHFFFAOYSA-N,,,,,,,,,,,
100.065.013,271-535-7,68584-29-2,"Benzenesulfonic acid, dodecyl-, cerium(3+) salt, basic",-,[Ce+3].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[Ce+3].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C18H30O3S.Ce/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+3/p-1",-,,,,,,DPEWQGPKOFFVOR-UHFFFAOYSA-M,,,,,,,,,,,
100.074.244,281-694-4,84012-54-4,"2-(4-morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one","2-(morpholin-4-ylmethyl)-1,2-benzisothiazol-3(2H)-one",O=C1N(CN2CCOCC2)Sc3ccccc13,O=C1N(CN2CCOCC2)Sc3ccccc13,"InChI=1/C12H14N2O2S/c15-12-10-3-1-2-4-11(10)17-14(12)9-13-5-7-16-8-6-13/h1-4H,5-9H2",C12H14N2O2S,,,,,,BYDCJQINJGGKLU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.245,281-696-5,84012-55-5,"2-[3-(dimethylamino)-2-methylpropyl]-1,2-benzisothiazol-3(2H)-one","2-[3-(dimethylamino)-2-methylpropyl]-1,2-benzisothiazol-3(2H)-one",CC(CN(C)C)CN1Sc2ccccc2C1=O,CC(CN(C)C)CN1Sc2ccccc2C1=O,"InChI=1/C13H18N2OS/c1-10(8-14(2)3)9-15-13(16)11-6-4-5-7-12(11)17-15/h4-7,10H,8-9H2,1-3H3",C13H18N2OS,,,,,,KKVWYFKWZWCPOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.113,277-147-4,72968-72-0,"Sodium 4-[4-[[3-[(ethylanilino)sulphonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-[4-({3-[(2-ethylphenyl)sulfamoyl]-4-methylphenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=NC3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,[Na+].CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,"InChI=1/C25H25N5O6S2.Na/c1-4-18-7-5-6-8-22(18)29-37(32,33)23-15-19(10-9-16(23)2)26-27-24-17(3)28-30(25(24)31)20-11-13-21(14-12-20)38(34,35)36;/h5-15,24,29H,4H2,1-3H3,(H,34,35,36);/q;+1/p-1",C25H25N5O6S2.Na,,,,,,JFHJWLUJQQTHIL-UHFFFAOYSA-M,,,,,,,,,,,
100.070.114,277-149-5,72968-73-1,"Sodium 1-amino-4-[(2,6-diethyl-4-methylphenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(2,6-diethyl-4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CCc1cc(C)cc(CC)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[Na+].CCc1cc(C)cc(CC)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C25H24N2O5S.Na/c1-4-14-10-13(3)11-15(5-2)23(14)27-18-12-19(33(30,31)32)22(26)21-20(18)24(28)16-8-6-7-9-17(16)25(21)29;/h6-12,27H,4-5,26H2,1-3H3,(H,30,31,32);/q;+1/p-1",C25H24N2O5S.Na,,,,,,BKUNBYVIXSEXFQ-UHFFFAOYSA-M,,,,,,,,,,,
100.070.115,277-150-0,72968-74-2,Sodium m-[[[4-(benzothiazol-2-ylazo)-m-tolyl]ethylamino]methyl]benzenesulphonate,"sodium 3-({[4-(1,3-benzothiazol-2-yldiazenyl)-3-methylphenyl](ethyl)amino}methyl)benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c4ccc(N=Nc2nc3ccccc3s2)c(C)c4,[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c4ccc(N=Nc2nc3ccccc3s2)c(C)c4,"InChI=1/C23H22N4O3S2.Na/c1-3-27(15-17-7-6-8-19(14-17)32(28,29)30)18-11-12-20(16(2)13-18)25-26-23-24-21-9-4-5-10-22(21)31-23;/h4-14H,3,15H2,1-2H3,(H,28,29,30);/q;+1/p-1",C23H22N4O3S2.Na,,,,,,OLLGHBNUVHGMHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.070.120,277-155-8,72968-81-1,Disodium 8-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-1-sulphonate,disodium 8-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc5ccc(N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4cccc(c45)S([O-])(=O)=O)c6ccc(C)cc6,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc5ccc(N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4cccc(c45)S([O-])(=O)=O)c6ccc(C)cc6,"InChI=1/C35H26N6O11S3.2Na/c1-22-5-16-28(17-6-22)55(50,51)52-27-14-11-25(12-15-27)38-40-32-20-19-30(29-3-2-4-33(35(29)32)53(44,45)46)39-37-24-9-7-23(8-10-24)36-31-18-13-26(41(42)43)21-34(31)54(47,48)49;;/h2-21,36H,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C35H26N6O11S3.2Na,,,,,,ITWBKSQPIARJAF-UHFFFAOYSA-L,,,,,,,,,,,
100.070.121,277-156-3,72968-82-2,"N-[2-[(2,6-dicyano-p-tolyl)azo]-5-(dipropylamino)phenyl]methanesulphonamide","N-{2-[(2,6-dicyano-4-methylphenyl)diazenyl]-5-(dipropylamino)phenyl}methanesulfonamide",CCCN(CCC)c2ccc(N=Nc1c(C#N)cc(C)cc1C#N)c(c2)NS(C)(=O)=O,CCCN(CCC)c2ccc(N=Nc1c(C#N)cc(C)cc1C#N)c(c2)NS(C)(=O)=O,"InChI=1/C22H26N6O2S/c1-5-9-28(10-6-2)19-7-8-20(21(13-19)27-31(4,29)30)25-26-22-17(14-23)11-16(3)12-18(22)15-24/h7-8,11-13,27H,5-6,9-10H2,1-4H3",C22H26N6O2S,,,,,,DYOVEOOVFVMXAP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.122,277-157-9,72970-75-3,"2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-(2-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium acetate",CCOc1ccc(cc1)N(C)c2ccc(\\C=C\\C3=[N+](C)c4ccccc4C3(C)C)cc2.CC(=O)[O-],CCOc1ccc(cc1)N(C)c2ccc(\C=C\C3=[N+](C)c4ccccc4C3(C)C)cc2.CC(=O)[O-],"InChI=1/C28H31N2O.C2H4O2/c1-6-31-24-18-16-23(17-19-24)29(4)22-14-11-21(12-15-22)13-20-27-28(2,3)25-9-7-8-10-26(25)30(27)5;1-2(3)4/h7-20H,6H2,1-5H3;1H3,(H,3,4)/q+1;/p-1",C28H31N2O.C2H3O2,,,,,,MQOKTYYSWJDIKD-UHFFFAOYSA-M,,,,,,,,,,,
100.070.124,277-160-5,72983-68-7,2-methyl-5-(1-methylvinyl)-2-cyclohexene-1-acetaldehyde,(5-isopropenyl-2-methylcyclohex-2-en-1-yl)acetaldehyde,CC(=C)C1CC=C(C)C(CC=O)C1,CC(=C)C1CC=C(C)C(CC=O)C1,"InChI=1/C12H18O/c1-9(2)11-5-4-10(3)12(8-11)6-7-13/h4,7,11-12H,1,5-6,8H2,2-3H3",C12H18O,,,,,,HZRBBXZWSHOZKT-UHFFFAOYSA-N,,,,,,,,,,,
100.074.329,281-788-5,84030-17-1,"Trisodium 7-hydroxy-8-[(4-sulphonatophenyl)azo]naphthalene-1,3-disulphonate","trisodium 7-hydroxy-8-[(4-sulfonatophenyl)diazenyl]naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H12N2O10S3.3Na/c19-13-6-1-9-7-12(30(23,24)25)8-14(31(26,27)28)15(9)16(13)18-17-10-2-4-11(5-3-10)29(20,21)22;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",C16H12N2O10S3.3Na,,,,,,ZNXMGWRYOUZDLV-UHFFFAOYSA-K,,,,,,,,,,,
100.074.330,281-789-0,84030-18-2,2-chloro-1-methylpyridinium trifluoromethanesulphonate,2-chloro-1-methylpyridinium trifluoromethanesulfonate,C[n+]1ccccc1Cl.[O-]S(=O)(=O)C(F)(F)F,C[n+]1ccccc1Cl.[O-]S(=O)(=O)C(F)(F)F,"InChI=1/C6H7ClN.CHF3O3S/c1-8-5-3-2-4-6(8)7;2-1(3,4)8(5,6)7/h2-5H,1H3;(H,5,6,7)/q+1;/p-1",C6H7ClN.CF3O3S,,,,,,IBFRDPVOEVYVGV-UHFFFAOYSA-M,,,,,,,,,,,
100.074.334,281-793-2,84030-22-8,N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-L-methionine,N-[(benzyloxy)carbonyl]-L-isoleucyl-L-methionine,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O,"InChI=1/C19H28N2O5S/c1-4-13(2)16(17(22)20-15(18(23)24)10-11-27-3)21-19(25)26-12-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)",C19H28N2O5S,,,,,,GTXSTEDIVHHJQL-FMYDAXTQSA-N,,,,,,,,,,,
100.074.344,281-805-6,84030-32-0,Potassium [2-[2-(4-nonylphenoxy)ethoxy]ethyl] phosphonate,potassium 2-[2-(4-nonylphenoxy)ethoxy]ethyl phosphonate,[K+].CCCCCCCCCc1ccc(OCCOCCOP(=O)[O-])cc1,[K+].CCCCCCCCCc1ccc(OCCOCCOP(=O)[O-])cc1,"InChI=1/C19H33O5P.K/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)23-16-14-22-15-17-24-25(20)21;/h10-13,25H,2-9,14-17H2,1H3,(H,20,21);/q;+1/p-1",C19H33O5P.K,,,,,,BWTHPUXKHQFQDX-UHFFFAOYSA-M,,,,,,,,,,,
100.074.352,281-814-5,84030-40-0,Manganese 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate,manganese(2+) 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate,[Mn].OS(=O)(=O)c3cc(C)ccc3/N=N/c1c2ccccc2cc(C(O)=O)c1O,[Mn].OS(=O)(=O)c3cc(C)ccc3/N=N/c1c2ccccc2cc(C(O)=O)c1O,"InChI=1/C18H14N2O6S.Mn/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2",C18H14N2O6S.xMn,,,,,,XCYPCSGHEFHFSK-RZLHGTIFSA-N,,,,,,,,,,,
100.074.353,281-815-0,84030-41-1,"Dodecyl 4-dodecyl-4-[[2-(dodecyloxy)-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate","dodecyl 4-dodecyl-4-{[2-(dodecyloxy)-2-oxoethyl]sulfanyl}-7-oxo-8-oxa-3,5-dithia-4-stannaicosan-1-oate",CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,"InChI=1/3C14H28O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-5-7-9-11-12-10-8-6-4-2;/h3*17H,2-13H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC54H106O6S3Sn/c1-5-9-13-17-21-25-29-33-37-41-45-58-52(55)49-61-64(48-44-40-36-32-28-24-20-16-12-8-4,62-50-53(56)59-46-42-38-34-30-26-22-18-14-10-6-2)63-51-54(57)60-47-43-39-35-31-27-23-19-15-11-7-3/h5-51H2,1-4H3",C54H106O6S3Sn,,,,,,WIXUEKAUCXJWIL-UHFFFAOYSA-K,,,,,,,,,,,
100.074.357,281-819-2,84030-45-5,"Decyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate","decyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecan-1-oate",CCCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCCC,"InChI=1/2C12H24O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;2*1-3-4-2;/h2*15H,2-11H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H64O4S2Sn/c1-5-9-13-15-17-19-21-23-25-35-31(33)29-37-39(27-11-7-3,28-12-8-4)38-30-32(34)36-26-24-22-20-18-16-14-10-6-2/h5-30H2,1-4H3",C32H64O4S2Sn,,,,,,ZMHYXZXTHCGPAQ-UHFFFAOYSA-L,,,,,,,,,,,
100.074.358,281-820-8,84030-46-6,"Decyl 4-butyl-4-[[2-(decyloxy)-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate","decyl 4-butyl-4-{[2-(decyloxy)-2-oxoethyl]sulfanyl}-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecan-1-oate",CCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC,"InChI=1/3C12H24O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;1-3-4-2;/h3*15H,2-11H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC40H78O6S3Sn/c1-5-9-13-16-19-22-25-28-31-44-38(41)35-47-50(34-12-8-4,48-36-39(42)45-32-29-26-23-20-17-14-10-6-2)49-37-40(43)46-33-30-27-24-21-18-15-11-7-3/h5-37H2,1-4H3",C40H78O6S3Sn,,,,,,AGYCYDHXDUHLQZ-UHFFFAOYSA-K,,,,,,,,,,,
100.074.364,281-827-6,84030-52-4,"7-(5-acetamido-2-methoxyphenyl)-10-(methoxycarbonyl)-3-oxo-2,4,10-trioxa-7-azadecane monoacetate","[(5-acetamido-2-methoxyphenyl)imino]diethane-2,1-diyl dimethyl biscarbonate acetate",COC(=O)OCCN(CCOC(=O)OC)c1cc(NC(=O)C)ccc1OC.CC(=O)O,COC(=O)OCCN(CCOC(=O)OC)c1cc(NC(=O)C)ccc1OC.CC(=O)O,"InChI=1/C17H24N2O8.C2H4O2/c1-12(20)18-13-5-6-15(23-2)14(11-13)19(7-9-26-16(21)24-3)8-10-27-17(22)25-4;1-2(3)4/h5-6,11H,7-10H2,1-4H3,(H,18,20);1H3,(H,3,4)",C17H24N2O8.C2H4O2,,,,,,VVMWKRASIUVWJT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.545,268-820-3,68140-98-7,4-ethyl-2-(8-heptadecenyl)-2-oxazoline-4-methanol,"(4-ethyl-2-heptadec-8-en-1-yl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCC1(CO)/N=C(/CCCCCCCC=CCCCCCCCC)OC1,CCC1(CO)/N=C(/CCCCCCCC=CCCCCCCCC)OC1,"InChI=1/C23H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4-2,20-25)21-26-22/h11-12,25H,3-10,13-21H2,1-2H3",C23H43NO2,,,,,,FYWZXBFLSZJILE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.551,268-827-1,68141-05-9,2-phenoxyethyl 18-phenyloctadecanoate,2-phenoxyethyl 18-phenyloctadecanoate,O=C(CCCCCCCCCCCCCCCCCc1ccccc1)OCCOc2ccccc2,O=C(CCCCCCCCCCCCCCCCCc1ccccc1)OCCOc2ccccc2,"InChI=1/C32H48O3/c33-32(35-29-28-34-31-25-19-15-20-26-31)27-21-13-11-9-7-5-3-1-2-4-6-8-10-12-16-22-30-23-17-14-18-24-30/h14-15,17-20,23-26H,1-13,16,21-22,27-29H2",C32H48O3,,,,,,FZJGVNUYIJBUJK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.099,278-232-9,75514-28-2,5-(aminosulphonyl)-2-methoxy-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide monohydrochloride,2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide hydrochloride,Cl.COc1ccc(cc1C(=O)NCC2CCCN2C)S(=O)(=O)N,Cl.COc1ccc(cc1C(=O)NCC2CCCN2C)S(=O)(=O)N,"InChI=1/C14H21N3O4S.ClH/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2;/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20);1H",C14H21N3O4S.ClH,,,,,,AXTWSNUJSPHOIS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.113,278-248-6,75535-16-9,"2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-{2-[4-(diethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",CCN(CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-],CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-],"InChI=1/C23H29N2.H3O4P/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h8-17H,6-7H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3",C23H29N2.H2O4P,,,,,,DNQYATSEPGGRFT-UHFFFAOYSA-K,,,,,,,,,,,
100.046.469,251-132-2,32634-68-7,"[S(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid","2,3-bis[(4-methylbenzoyl)oxy]succinic acid",Cc1ccc(cc1)C(=O)OC(C(OC(=O)c2ccc(C)cc2)C(=O)O)C(=O)O,Cc1ccc(cc1)C(=O)OC(C(OC(=O)c2ccc(C)cc2)C(=O)O)C(=O)O,"InChI=1/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)",C20H18O8,,,,,,CMIBUZBMZCBCAT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.471,251-134-3,32638-88-3,"Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol 1,1-dioxide","spiro[2,1-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol 1,1-dioxide",Oc1ccc2c(Oc3c(O)c(O)ccc3C24OS(=O)(=O)c5ccccc45)c1O,Oc1ccc2c(Oc3c(O)c(O)ccc3C24OS(=O)(=O)c5ccccc45)c1O,"InChI=1/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H",C19H12O8S,,,,,,KUQNCHZOCSYKOR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.477,251-141-1,32651-20-0,"1,4-diphenylcyclohexane-1,4-diol","1,4-diphenylcyclohexane-1,4-diol",OC1(CCC(O)(CC1)c2ccccc2)c3ccccc3,OC1(CCC(O)(CC1)c2ccccc2)c3ccccc3,"InChI=1/C18H20O2/c19-17(15-7-3-1-4-8-15)11-13-18(20,14-12-17)16-9-5-2-6-10-16/h1-10,19-20H,11-14H2",C18H20O2,,,,,,USAODBZLWPXYON-UHFFFAOYSA-N,,,,,,,,,,,
100.046.481,251-145-3,32665-23-9,Isopropyl isovalerate,isopropyl 3-methylbutanoate,CC(C)CC(=O)OC(C)C,CC(C)CC(=O)OC(C)C,"InChI=1/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3",C8H16O2,,,,,,ZOIRKXLFEHOVER-UHFFFAOYSA-N,,,,,,,,,,,
100.046.486,251-151-6,32680-29-8,Ammonium copper arsenate,ammonium copper(2+) arsenate,[Cu+2].[NH4+].[O-][As]([O-])([O-])=O,[Cu+2].[NH4+].[O-][As]([O-])([O-])=O,"InChI=1/AsH3O4.Cu.H3N/c2-1(3,4)5;;/h(H3,2,3,4,5);;1H3/q;+2;/p-2",AsH3O4.Cu.H3N,,,,,,BMAPBFWRJLPANB-UHFFFAOYSA-L,,,,,,,,,,,
100.046.487,251-152-1,32680-30-1,Tributylmethylammonium hydroxide,"N,N-dibutyl-N-methylbutan-1-aminium hydroxide",[OH-].CCCC[N+](C)(CCCC)CCCC,[OH-].CCCC[N+](C)(CCCC)CCCC,"InChI=1/C13H30N.H2O/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H2/q+1;/p-1",C13H30N.HO,,,,,,QVOFCQBZXGLNAA-UHFFFAOYSA-M,,,,,,,,,,,
100.046.492,251-157-9,32687-84-6,Sodium 1-methylnonyl sulphate,sodium 1-methylnonyl sulfate,[Na+].CCCCCCCCC(C)OS(=O)(=O)[O-],[Na+].CCCCCCCCC(C)OS(=O)(=O)[O-],"InChI=1/C10H22O4S.Na/c1-3-4-5-6-7-8-9-10(2)14-15(11,12)13;/h10H,3-9H2,1-2H3,(H,11,12,13);/q;+1/p-1",C10H22O4S.Na,,,,,,UOCBNOYTNWINFD-UHFFFAOYSA-M,,,,,,,,,,,
100.046.493,251-158-4,32692-19-6,5-nitroindoline,5-nitroindoline,[O-][N+](=O)c1ccc2NCCc2c1,[O-][N+](=O)c1ccc2NCCc2c1,"InChI=1/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2",C8H8N2O2,,,,,,WJQWYAJTPPYORB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.497,251-163-1,32700-63-3,"Tetrahydro-2,2,6-trimethyl-2H-pyran","2,2,6-trimethyltetrahydro-2H-pyran",CC1CCCC(C)(C)O1,CC1CCCC(C)(C)O1,"InChI=1/C8H16O/c1-7-5-4-6-8(2,3)9-7/h7H,4-6H2,1-3H3",C8H16O,,,,,,PNKOSUMBMGVBPO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.126,277-162-6,72983-70-1,trans-4-propylcyclohexyl trans-p-(4-pentylcyclohexyl)benzoate,4-propylcyclohexyl 4-(4-pentylcyclohexyl)benzoate,CCCCCC1CCC(CC1)c2ccc(cc2)C(=O)O[C@@H]3CC[C@@H](CCC)CC3,CCCCCC1CCC(CC1)c2ccc(cc2)C(=O)O[C@@H]3CC[C@@H](CCC)CC3,"InChI=1/C27H42O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h15-18,21-23,26H,3-14,19-20H2,1-2H3",C27H42O2,,,,,,PEXDPLSTNBSZFP-BBGMPZJDSA-N,,,,,,,,,,,
100.076.085,283-724-1,84697-14-3,1-(tert-butoxy)-4-(2-methoxyethyl)benzene,1-tert-butoxy-4-(2-methoxyethyl)benzene,COCCc1ccc(OC(C)(C)C)cc1,COCCc1ccc(OC(C)(C)C)cc1,"InChI=1/C13H20O2/c1-13(2,3)15-12-7-5-11(6-8-12)9-10-14-4/h5-8H,9-10H2,1-4H3",C13H20O2,,,,,,HBOCSQWJBVYGQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.087,283-726-2,84697-16-5,ß-chlorophenethyl chloroformate,2-chloro-2-phenylethyl chlorocarbonate,ClC(COC(=O)Cl)c1ccccc1,ClC(COC(=O)Cl)c1ccccc1,"InChI=1/C9H8Cl2O2/c10-8(6-13-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6H2",C9H8Cl2O2,,,,,,OTRYZZCHZJTDCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.093,283-733-0,84709-12-6,Sodium (S)-(4-hydroxyphenyl)(phenylacetamido)acetate,sodium (4-hydroxyphenyl)[(phenylacetyl)amino]acetate,[Na+].Oc1ccc(cc1)[C@H](NC(=O)Cc2ccccc2)C(=O)[O-],[Na+].Oc1ccc(cc1)[C@H](NC(=O)Cc2ccccc2)C(=O)[O-],"InChI=1/C16H15NO4.Na/c18-13-8-6-12(7-9-13)15(16(20)21)17-14(19)10-11-4-2-1-3-5-11;/h1-9,15,18H,10H2,(H,17,19)(H,20,21);/q;+1/p-1",C16H15NO4.Na,,,,,,SSQICCSBOZHERJ-RSAXXLAASA-M,,,,,,,,,,,
100.074.750,282-251-8,84145-26-6,Isopropyl 4-phenylpiperidine-4-carboxylate hydrochloride,isopropyl 4-phenylpiperidine-4-carboxylate hydrochloride,Cl.CC(C)OC(=O)C1(CCNCC1)c2ccccc2,Cl.CC(C)OC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C15H21NO2.ClH/c1-12(2)18-14(17)15(8-10-16-11-9-15)13-6-4-3-5-7-13;/h3-7,12,16H,8-11H2,1-2H3;1H",C15H21NO2.ClH,,,,,,SQLUHDLBWGBJLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.763,282-265-4,84145-39-1,"2,5-bis[(1,3-dioxobutyl)phenylamino]terephthalic acid","2,5-bis[acetoacetyl(phenyl)amino]terephthalic acid",CC(=O)CC(=O)N(c1ccccc1)c2cc(C(=O)O)c(cc2C(=O)O)N(C(=O)CC(=O)C)c3ccccc3,CC(=O)CC(=O)N(c1ccccc1)c2cc(C(=O)O)c(cc2C(=O)O)N(C(=O)CC(=O)C)c3ccccc3,"InChI=1/C28H24N2O8/c1-17(31)13-25(33)29(19-9-5-3-6-10-19)23-15-22(28(37)38)24(16-21(23)27(35)36)30(26(34)14-18(2)32)20-11-7-4-8-12-20/h3-12,15-16H,13-14H2,1-2H3,(H,35,36)(H,37,38)",C28H24N2O8,,,,,,QYFDPGMAQSATNL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.768,282-271-7,84145-44-8,"4,8,12,15,19,23-hexaazahexacosane-1,26-diamine","4,8,12,15,19,23-hexaazahexacosane-1,26-diamine",NCCCNCCCNCCCNCCNCCCNCCCNCCCN,NCCCNCCCNCCCNCCNCCCNCCCNCCCN,"InChI=1/C20H50N8/c21-7-1-9-23-11-3-13-25-15-5-17-27-19-20-28-18-6-16-26-14-4-12-24-10-2-8-22/h23-28H,1-22H2",C20H50N8,,,,,,BQLHDWPBRFNLIF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.775,282-279-0,84145-52-8,6-oxo-3-methylhexyl acetate,3-methyl-6-oxohexyl acetate,CC(CCOC(=O)C)CCC=O,CC(CCOC(=O)C)CCC=O,"InChI=1/C9H16O3/c1-8(4-3-6-10)5-7-12-9(2)11/h6,8H,3-5,7H2,1-2H3",C9H16O3,,,,,,RGZPPOVGSPGORM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.777,282-281-1,84145-54-0,2-methoxy-4-[(methylimino)methyl]phenol,2-methoxy-4-[(methylimino)methyl]phenol,Oc1ccc(cc1OC)C=NC,Oc1ccc(cc1OC)C=NC,"InChI=1/C9H11NO2/c1-10-6-7-3-4-8(11)9(5-7)12-2/h3-6,11H,1-2H3",C9H11NO2,,,,,,OKYNVMRFOLPHBU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.783,282-287-4,84145-60-8,"Dodecanedioic acid, compound with 2-aminoethanol",dodecanedioic acid - 2-aminoethanol (1:1),NCCO.OC(=O)CCCCCCCCCCC(=O)O,NCCO.OC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C12H22O4.C2H7NO/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;3-1-2-4/h1-10H2,(H,13,14)(H,15,16);4H,1-3H2",C12H22O4.xC2H7NO,,,,,,QPTBLKXIIYJZBP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.785,282-290-0,84145-62-0,Sodium 5-amino-6-ethoxynaphthalene-2-sulphonate,sodium 5-amino-6-ethoxynaphthalene-2-sulfonate,[Na+].CCOc1ccc2cc(ccc2c1N)S(=O)(=O)[O-],[Na+].CCOc1ccc2cc(ccc2c1N)S(=O)(=O)[O-],"InChI=1/C12H13NO4S.Na/c1-2-17-11-6-3-8-7-9(18(14,15)16)4-5-10(8)12(11)13;/h3-7H,2,13H2,1H3,(H,14,15,16);/q;+1/p-1",C12H13NO4S.Na,,,,,,JDSIKRXXRVRPJF-UHFFFAOYSA-M,,,,,,,,,,,
100.076.750,284-455-2,84885-27-8,2-(isopentyloxy)-5-propenylanisole,2-methoxy-1-(3-methylbutoxy)-4-prop-1-en-1-ylbenzene,COc1cc(ccc1OCCC(C)C)C=CC,COc1cc(ccc1OCCC(C)C)C=CC,"InChI=1/C15H22O2/c1-5-6-13-7-8-14(15(11-13)16-4)17-10-9-12(2)3/h5-8,11-12H,9-10H2,1-4H3",C15H22O2,,,,,,AJAOXJQJCYZJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.758,284-464-1,84901-28-0,Triethyl[3-(triethoxysilyl)propyl]ammonium chloride,"N,N,N-triethyl-3-(triethoxysilyl)propan-1-aminium chloride",[Cl-].CCO[Si](CCC[N+](CC)(CC)CC)(OCC)OCC,[Cl-].CCO[Si](CCC[N+](CC)(CC)CC)(OCC)OCC,"InChI=1/C15H36NO3Si.ClH/c1-7-16(8-2,9-3)14-13-15-20(17-10-4,18-11-5)19-12-6;/h7-15H2,1-6H3;1H/q+1;/p-1",C15H36NO3Si.Cl,,,,,,QKWRITOXHWTBFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.076.761,284-467-8,84912-05-0,"2-chloro-3-(diethylamino)-N,N-diethyl-2-butenamide","2-chloro-3-(diethylamino)-N,N-diethylbut-2-enamide",CCN(CC)C(=O)C(Cl)=C(C)N(CC)CC,CCN(CC)C(=O)C(Cl)=C(C)N(CC)CC,"InChI=1/C12H23ClN2O/c1-6-14(7-2)10(5)11(13)12(16)15(8-3)9-4/h6-9H2,1-5H3",C12H23ClN2O,,,,,,DNCOGDDZCWZLQX-UHFFFAOYSA-N,,,,,,,,,,,
100.076.764,284-470-4,84912-08-3,"3-acetyl-1,6-dimethyl-4-(methylamino)-2-pyridone","3-acetyl-1,6-dimethyl-4-(methylamino)pyridin-2(1H)-one",CNC1=C(C(=O)C)C(=O)N(C)C(=C1)C,CNC1=C(C(=O)C)C(=O)N(C)C(=C1)C,"InChI=1/C10H14N2O2/c1-6-5-8(11-3)9(7(2)13)10(14)12(6)4/h5,11H,1-4H3",C10H14N2O2,,,,,,SMLZEERFFKYIJM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.767,284-474-6,84912-11-8,Methyl 2-acetyl-3-methyl-4-oxovalerate,methyl 2-acetyl-3-methyl-4-oxopentanoate,COC(=O)C(C(C)C(=O)C)C(=O)C,COC(=O)C(C(C)C(=O)C)C(=O)C,"InChI=1/C9H14O4/c1-5(6(2)10)8(7(3)11)9(12)13-4/h5,8H,1-4H3",C9H14O4,,,,,,ICETZAWQGQSRCU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.770,284-477-2,84912-14-1,5-[(4-amino-5-ethoxy-o-tolyl)azo]-2-chlorobenzenesulphonic acid,5-[(4-amino-5-ethoxy-2-methylphenyl)diazenyl]-2-chlorobenzenesulfonic acid,O=S(O)(=O)c1cc(ccc1Cl)N=Nc2cc(OCC)c(N)cc2C,O=S(O)(=O)c1cc(ccc1Cl)N=Nc2cc(OCC)c(N)cc2C,"InChI=1/C15H16ClN3O4S/c1-3-23-14-8-13(9(2)6-12(14)17)19-18-10-4-5-11(16)15(7-10)24(20,21)22/h4-8H,3,17H2,1-2H3,(H,20,21,22)",C15H16ClN3O4S,,,,,,OJYHXEGJQSWREJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.665,278-854-0,78168-93-1,"1-amino-6-(ethylthio)-3-neopentyl-1,3,5-triazine-2,4(1H,3H)-dione","1-amino-3-(2,2-dimethylpropyl)-6-(ethylsulfanyl)-1,3,5-triazine-2,4(1H,3H)-dione",CCSC1=NC(=O)N(CC(C)(C)C)C(=O)N1N,CCSC1=NC(=O)N(CC(C)(C)C)C(=O)N1N,"InChI=1/C10H18N4O2S/c1-5-17-8-12-7(15)13(6-10(2,3)4)9(16)14(8)11/h5-6,11H2,1-4H3",C10H18N4O2S,,,,,,KOKBUARVIJVMMM-UHFFFAOYSA-N,,,,,,,,,,,
100.053.213,258-553-0,53440-12-3,"1,2,3,4-tetrahydro-2-naphthoic acid","1,2,3,4-tetrahydronaphthalene-2-carboxylic acid",OC(=O)C1CCc2ccccc2C1,OC(=O)C1CCc2ccccc2C1,"InChI=1/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,12,13)",C11H12O2,,,,,,NTAGXJQHJQUOOA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.254,277-302-6,73151-29-8,"1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-1H-imidazolium nitrate","3-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]-1H-imidazol-3-ium nitrate",[O-][N+](=O)[O-].Clc1ccc(C(C[n+]2cc[nH]c2)OCc3ccc(Sc4ccccc4)cc3)c(Cl)c1,[O-][N+](=O)[O-].Clc1ccc(C(C[n+]2cc[nH]c2)OCc3ccc(Sc4ccccc4)cc3)c(Cl)c1,"InChI=1/C24H20Cl2N2OS.NO3/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20;2-1(3)4/h1-14,17,24H,15-16H2;/q;-1/p+1",C24H20Cl2N2OS.HNO3,,,,,,MXQVMHNIUUXDQW-UHFFFAOYSA-O,,,,,,,,,,,
100.070.260,277-308-9,73179-35-8,"11,15-dimethyl-7,10,13,16,19-pentaoxapentacosane-9,17-diol","11,15-dimethyl-7,10,13,16,19-pentaoxapentacosane-9,17-diol",CCCCCCOCC(O)OC(C)COCC(C)OC(O)COCCCCCC,CCCCCCOCC(O)OC(C)COCC(C)OC(O)COCCCCCC,"InChI=1/C22H46O7/c1-5-7-9-11-13-25-17-21(23)28-19(3)15-27-16-20(4)29-22(24)18-26-14-12-10-8-6-2/h19-24H,5-18H2,1-4H3",C22H46O7,,,,,,IUQSQGHDEWZMCR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.023,269-347-5,68227-32-7,"Formic acid, compound with a-methyl-1H-imidazole-1-ethanol (1:1)",formic acid - 1-(1H-imidazol-1-yl)propan-2-ol (1:1),CC(O)Cn1ccnc1.OC=O,CC(O)Cn1ccnc1.OC=O,"InChI=1/C6H10N2O.CH2O2/c1-6(9)4-8-3-2-7-5-8;2-1-3/h2-3,5-6,9H,4H2,1H3;1H,(H,2,3)",C6H10N2O.CH2O2,,,,,,RJKFXAQTFCBIGA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.037,269-362-7,68227-50-9,Potassium 5-carboxy-4-hexylcyclohex-2-ene-1-octanoate,potassium 8-(5-carboxy-4-hexylcyclohex-2-en-1-yl)octanoate,[K+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O,[K+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O,"InChI=1/C21H36O4.K/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1",C21H36O4.K,,,,,,NQEIIANRMIDQRR-UHFFFAOYSA-M,,,,,,,,,,,
100.063.038,269-363-2,68227-51-0,2-methyl-5-oxo-1-cyclopenten-1-yl butyrate,2-methyl-5-oxocyclopent-1-en-1-yl butyrate,CCCC(=O)OC1=C(C)CCC1=O,CCCC(=O)OC1=C(C)CCC1=O,"InChI=1/C10H14O3/c1-3-4-9(12)13-10-7(2)5-6-8(10)11/h3-6H2,1-2H3",C10H14O3,,,,,,SUJWBOKDKMEAOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.045,269-371-6,68227-58-7,m-[[4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-3-methoxyphenyl]azo]benzenesulphonic acid,3-{[4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-3-methoxyphenyl]diazenyl}benzenesulfonic acid,COc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCC#N)N=Nc3cccc(c3)S(O)(=O)=O,COc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCC#N)N=Nc3cccc(c3)S(O)(=O)=O,"InChI=1/C24H24N6O4S/c1-3-30(15-5-14-25)21-11-8-18(9-12-21)26-29-23-13-10-20(17-24(23)34-2)28-27-19-6-4-7-22(16-19)35(31,32)33/h4,6-13,16-17H,3,5,15H2,1-2H3,(H,31,32,33)",C24H24N6O4S,,,,,,PKEUXPOEUNBWMH-UHFFFAOYSA-N,,,,,,,,,,,
100.063.050,269-376-3,68227-65-6,"Disodium hydrogen 2-[[1-[4-[2-(4-amino-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate","disodium hydrogen 2-[(1-{4-[2-(4-amino-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate",[H+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(N)ccc4/C=C/c1ccc(cc1S([O-])(=O)=O)N3/N=C(/C)C(N=Nc2ccccc2C([O-])=O)C3=O,[H+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(N)ccc4/C=C/c1ccc(cc1S([O-])(=O)=O)N3/N=C(/C)C(N=Nc2ccccc2C([O-])=O)C3=O,"InChI=1/C25H21N5O9S2.2Na.H2/c1-14-23(28-27-20-5-3-2-4-19(20)25(32)33)24(31)30(29-14)18-11-9-16(22(13-18)41(37,38)39)7-6-15-8-10-17(26)12-21(15)40(34,35)36;;;/h2-13,23H,26H2,1H3,(H,32,33)(H,34,35,36)(H,37,38,39);;;1H/q;3*+1/p-3",C25H21N5O9S2.2Na,,,,,,WYUMVBKVYIOELZ-BDQCPVHUSA-L,,,,,,,,,,,
100.063.052,269-378-4,68227-67-8,"7-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-3-hydroxynaphthalene-1-sulphonic acid","3-hydroxy-7-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]naphthalene-1-sulfonic acid",OS(=O)(=O)c2cc(O)cc1ccc(cc12)N4/N=C(/C)C(N=Nc3ccccc3)C4=O,OS(=O)(=O)c2cc(O)cc1ccc(cc12)N4/N=C(/C)C(N=Nc3ccccc3)C4=O,"InChI=1/C20H16N4O5S/c1-12-19(22-21-14-5-3-2-4-6-14)20(26)24(23-12)15-8-7-13-9-16(25)11-18(17(13)10-15)30(27,28)29/h2-11,19,25H,1H3,(H,27,28,29)",C20H16N4O5S,,,,,,JKSAMORUXOGBSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.055,269-382-6,68227-70-3,o-chlorophenyl o-aminobenzenesulphonate,2-chlorophenyl 2-aminobenzenesulfonate,Nc1ccccc1S(=O)(=O)Oc2ccccc2Cl,Nc1ccccc1S(=O)(=O)Oc2ccccc2Cl,"InChI=1/C12H10ClNO3S/c13-9-5-1-3-7-11(9)17-18(15,16)12-8-4-2-6-10(12)14/h1-8H,14H2",C12H10ClNO3S,,,,,,PYHMYLMGXGHSBK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.056,269-383-1,68227-71-4,7-[(4-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulphonic acid,7-[(4-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid,Nc1ccc(cc1)C(=O)Nc2ccc3cc(O)cc(c3c2)S(=O)(=O)O,Nc1ccc(cc1)C(=O)Nc2ccc3cc(O)cc(c3c2)S(=O)(=O)O,"InChI=1/C17H14N2O5S/c18-12-4-1-10(2-5-12)17(21)19-13-6-3-11-7-14(20)9-16(15(11)8-13)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)",C17H14N2O5S,,,,,,PZSWEZPRWRUNGB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.058,269-385-2,68227-73-6,Disodium 8-amino-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 8-amino-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3c(N)cccc3c4O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3c(N)cccc3c4O)S([O-])(=O)=O,"InChI=1/C22H17N5O7S2.2Na/c23-19-3-1-2-17-18(19)12-20(36(32,33)34)21(22(17)28)27-26-14-6-4-13(5-7-14)24-25-15-8-10-16(11-9-15)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C22H17N5O7S2.2Na,,,,,,QDTBHMSJYYMBPU-UHFFFAOYSA-L,,,,,,,,,,,
100.062.553,268-829-2,68141-07-1,Benzyl benzeneundecanoate,benzyl 11-phenylundecanoate,O=C(CCCCCCCCCCc1ccccc1)OCc2ccccc2,O=C(CCCCCCCCCCc1ccccc1)OCc2ccccc2,"InChI=1/C24H32O2/c25-24(26-21-23-18-12-8-13-19-23)20-14-6-4-2-1-3-5-9-15-22-16-10-7-11-17-22/h7-8,10-13,16-19H,1-6,9,14-15,20-21H2",C24H32O2,,,,,,ISTWNOJYTFQNFE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.566,268-843-9,68141-21-9,a-isobutylbenzyl acetate,3-methyl-1-phenylbutyl acetate,CC(C)CC(OC(=O)C)c1ccccc1,CC(C)CC(OC(=O)C)c1ccccc1,"InChI=1/C13H18O2/c1-10(2)9-13(15-11(3)14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3",C13H18O2,,,,,,PJHMVQZEQHALNW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.568,268-846-5,68141-23-1,"1,1-dimethoxy-3,7-dimethyloctane","1,1-dimethoxy-3,7-dimethyloctane",COC(CC(C)CCCC(C)C)OC,COC(CC(C)CCCC(C)C)OC,"InChI=1/C12H26O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h10-12H,6-9H2,1-5H3",C12H26O2,,,,,,YKJOVWRPIHPSDM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.344,275-201-1,71116-15-9,"(3aa,4ß,6aa)-hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one",4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one,OCC1CC[C@@H]2OC(=O)C[C@H]12,OCC1CC[C@@H]2OC(=O)C[C@H]12,"InChI=1/C8H12O3/c9-4-5-1-2-7-6(5)3-8(10)11-7/h5-7,9H,1-4H2",C8H12O3,,,,,,RLXGPZUNVLXZNQ-FWPZAIACSA-N,,,,,,,,,,,
100.068.355,275-213-7,71130-69-3,Methyl 2-(p-nitrophenoxy)tetradecanoate,methyl 2-(4-nitrophenoxy)tetradecanoate,CCCCCCCCCCCCC(Oc1ccc(cc1)[N+](=O)[O-])C(=O)OC,CCCCCCCCCCCCC(Oc1ccc(cc1)[N+](=O)[O-])C(=O)OC,"InChI=1/C21H33NO5/c1-3-4-5-6-7-8-9-10-11-12-13-20(21(23)26-2)27-19-16-14-18(15-17-19)22(24)25/h14-17,20H,3-13H2,1-2H3",C21H33NO5,,,,,,VLJMGYSIDPDNLB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.358,275-216-3,71134-97-9,[8-[(4-amino-2-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride,"8-[(4-amino-2-nitrophenyl)diazenyl]-7-hydroxy-N,N,N-trimethylnaphthalen-2-aminium chloride",[Cl-].[O-][N+](=O)c3cc(N)ccc3N=Nc1c2cc(ccc2ccc1O)[N+](C)(C)C,[Cl-].[O-][N+](=O)c3cc(N)ccc3N=Nc1c2cc(ccc2ccc1O)[N+](C)(C)C,"InChI=1/C19H19N5O3.ClH/c1-24(2,3)14-7-4-12-5-9-18(25)19(15(12)11-14)22-21-16-8-6-13(20)10-17(16)23(26)27;/h4-11H,1-3H3,(H2-,20,21,22,25);1H",C19H20N5O3.Cl,,,,,,WIJOZBDYRBXOOW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.359,275-217-9,71140-64-2,10-amino-6-decenoic acid,10-aminodec-6-enoic acid,OC(=O)CCCCC=CCCCN,OC(=O)CCCCC=CCCCN,"InChI=1/C10H19NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1,3H,2,4-9,11H2,(H,12,13)",C10H19NO2,,,,,,NDDUYOXATAJKPC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.364,275-223-1,71159-90-5,"a,a,4-trimethylcyclohex-3-ene-1-methanethiol",2-(4-methylcyclohex-3-en-1-yl)propane-2-thiol,CC1=CCC(CC1)C(C)(C)S,CC1=CCC(CC1)C(C)(C)S,"InChI=1/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",C10H18S,,,,,,ZQPCOAKGRYBBMR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.371,275-231-5,71172-44-6,"Cyclopropyl 2,5-xylyl ketone","cyclopropyl(2,5-dimethylphenyl)methanone",Cc1ccc(C)c(c1)C(=O)C2CC2,Cc1ccc(C)c(c1)C(=O)C2CC2,"InChI=1/C12H14O/c1-8-3-4-9(2)11(7-8)12(13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3",C12H14O,,,,,,NRXRFPXXFISQQR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.376,269-735-4,68310-82-7,3-[[5-hydroxy-2-[(4-hydroxyphenyl)sulphonyl]phenyl]methyl]naphthalene-2-sulphonic acid,3-{5-hydroxy-2-[(4-hydroxyphenyl)sulfonyl]benzyl}naphthalene-2-sulfonic acid,Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2Cc3cc4ccccc4cc3S(=O)(=O)O,Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2Cc3cc4ccccc4cc3S(=O)(=O)O,"InChI=1/C23H18O7S2/c24-19-5-8-21(9-6-19)31(26,27)22-10-7-20(25)13-18(22)12-17-11-15-3-1-2-4-16(15)14-23(17)32(28,29)30/h1-11,13-14,24-25H,12H2,(H,28,29,30)",C23H18O7S2,,,,,,ZFPWKZMBHSQTMV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.380,269-740-1,68310-86-1,N-[(morpholinothioxomethyl)thio]-tert-butylamine,2-methyl-N-[(morpholin-4-ylcarbonothioyl)sulfanyl]propan-2-amine,CC(C)(C)NSC(=S)N1CCOCC1,CC(C)(C)NSC(=S)N1CCOCC1,"InChI=1/C9H18N2OS2/c1-9(2,3)10-14-8(13)11-4-6-12-7-5-11/h10H,4-7H2,1-3H3",C9H18N2OS2,,,,,,SXJUCAYPPGXJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.446,279-714-1,81263-05-0,"9-(2-carboxyphenyl)-3,6-bis[(o-tolyl)amino]xanthylium chloride","9-(2-carboxyphenyl)-3,6-bis[(2-methylphenyl)amino]xanthenium chloride",[Cl-].Cc1ccccc1Nc2ccc3c(c4ccccc4C(=O)O)c5ccc(Nc6ccccc6C)cc5[o+]c3c2,[Cl-].Cc1ccccc1Nc2ccc3c(c4ccccc4C(=O)O)c5ccc(Nc6ccccc6C)cc5[o+]c3c2,"InChI=1/C34H26N2O3.ClH/c1-21-9-3-7-13-29(21)35-23-15-17-27-31(19-23)39-32-20-24(36-30-14-8-4-10-22(30)2)16-18-28(32)33(27)25-11-5-6-12-26(25)34(37)38;/h3-20,35-36H,1-2H3;1H",C34H27N2O3.Cl,,,,,,YKLUJINSXJBFAI-UHFFFAOYSA-M,,,,,,,,,,,
100.072.485,279-757-6,81419-31-0,"3-(diallylamino)-7-oxo-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile","3-(diallylamino)-7-oxo-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile",C=CCN(CC=C)c1ccc2C=C3C(=C(C#N)C(=O)n4c3nc5ccccc45)Oc2c1,C=CCN(CC=C)c1ccc2C=C3C(=C(C#N)C(=O)n4c3nc5ccccc45)Oc2c1,"InChI=1/C25H18N4O2/c1-3-11-28(12-4-2)17-10-9-16-13-18-23(31-22(16)14-17)19(15-26)25(30)29-21-8-6-5-7-20(21)27-24(18)29/h3-10,13-14H,1-2,11-12H2",C25H18N4O2,,,,,,WQLREIWLLOTFSP-UHFFFAOYSA-N,,,,,,,,,,,
100.076.094,283-734-6,84709-13-7,(S)-(4-hydroxyphenyl)(phenylacetamido)acetic acid,(4-hydroxyphenyl)[(phenylacetyl)amino]acetic acid,OC(=O)[C@@H](NC(=O)Cc1ccccc1)c2ccc(O)cc2,OC(=O)[C@@H](NC(=O)Cc1ccccc1)c2ccc(O)cc2,"InChI=1/C16H15NO4/c18-13-8-6-12(7-9-13)15(16(20)21)17-14(19)10-11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,17,19)(H,20,21)",C16H15NO4,,,,,,VYRLGZVBBQVMRK-HNNXBMFYSA-N,,,,,,,,,,,
100.076.117,283-759-2,84712-69-6,"2-[1,1-dimethyl-3-[(tributylstannyl)oxy]butoxy]-4,4,6-trimethyl-1,3,2-dioxaborinane","tributyl{1,3-dimethyl-3-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]butoxy}stannane",CCCC[Sn](CCCC)(CCCC)OC(C)CC(C)(C)OB1OC(C)CC(C)(C)O1,CCCC[Sn](CCCC)(CCCC)OC(C)CC(C)(C)OB1OC(C)CC(C)(C)O1,"InChI=1/C12H24BO4.3C4H9.Sn/c1-9(14)7-11(3,4)16-13-15-10(2)8-12(5,6)17-13;3*1-3-4-2;/h9-10H,7-8H2,1-6H3;3*1,3-4H2,2H3;/q-1;;;;+1/rC24H51BO4Sn/c1-10-13-16-30(17-14-11-2,18-15-12-3)27-22(5)20-24(8,9)29-25-26-21(4)19-23(6,7)28-25/h21-22H,10-20H2,1-9H3",C24H51BO4Sn,,,,,,RWASAPDGVFSDLS-UHFFFAOYSA-N,,,,,,,,,,,
100.076.120,283-762-9,84712-72-1,"6-chloro-N-cyclopentyl-1,3,5-triazine-2,4-diamine","6-chloro-N-cyclopentyl-1,3,5-triazine-2,4-diamine",Nc1nc(Cl)nc(NC2CCCC2)n1,Nc1nc(Cl)nc(NC2CCCC2)n1,"InChI=1/C8H12ClN5/c9-6-12-7(10)14-8(13-6)11-5-3-1-2-4-5/h5H,1-4H2,(H3,10,11,12,13,14)",C8H12ClN5,,,,,,AMEQGMVFTOUTHW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.875,277-986-6,74754-17-9,"1-(1,3-benzodioxol-5-ylcarbonyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperazinium chloride","1-(1,3-benzodioxol-5-ylcarbonyl)-4-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)piperazin-1-ium chloride",[Cl-].O=C([NH+]1CCN(CC2COc3ccccc3O2)CC1)c4ccc5OCOc5c4,[Cl-].O=C([NH+]1CCN(CC2COc3ccccc3O2)CC1)c4ccc5OCOc5c4,"InChI=1/C21H22N2O5.ClH/c24-21(15-5-6-18-20(11-15)27-14-26-18)23-9-7-22(8-10-23)12-16-13-25-17-3-1-2-4-19(17)28-16;/h1-6,11,16H,7-10,12-14H2;1H",C21H22N2O5.ClH,,,,,,BIIUXCUKWDKFPF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.876,277-987-1,74755-21-8,Sodium 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butyrate,sodium 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butanoate,[Na+].COc1ccc(cc1)N(CCCC(=O)[O-])C(=O)c2ccc(Cl)cc2,[Na+].COc1ccc(cc1)N(CCCC(=O)[O-])C(=O)c2ccc(Cl)cc2,"InChI=1/C18H18ClNO4.Na/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13;/h4-11H,2-3,12H2,1H3,(H,21,22);/q;+1/p-1",C18H18ClNO4.Na,,,,,,XLGYRQNAXHSHGM-UHFFFAOYSA-M,,,,,,,,,,,
100.053.172,258-508-5,53378-51-1,"Sodium O,O-diisobutyl dithiophosphate","sodium O,O-diisobutyl dithiophosphate",[Na+].CC(C)COP(=S)([S-])OCC(C)C,[Na+].CC(C)COP(=S)([S-])OCC(C)C,"InChI=1/C8H19O2PS2.Na/c1-7(2)5-9-11(12,13)10-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1",C8H19O2PS2.Na,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10649,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.172,FOYPFIDVYRCZKA-UHFFFAOYSA-M,,,,,,,,,,,
100.053.173,258-509-0,53384-42-2,"Dimethyl 4,4'-[1,2-ethanediylbis(oxy)]bis[3-chlorobenzoate]","dimethyl 4,4'-[ethane-1,2-diylbis(oxy)]bis(3-chlorobenzoate)",COC(=O)c1ccc(OCCOc2ccc(cc2Cl)C(=O)OC)c(Cl)c1,COC(=O)c1ccc(OCCOc2ccc(cc2Cl)C(=O)OC)c(Cl)c1,"InChI=1/C18H16Cl2O6/c1-23-17(21)11-3-5-15(13(19)9-11)25-7-8-26-16-6-4-12(10-14(16)20)18(22)24-2/h3-6,9-10H,7-8H2,1-2H3",C18H16Cl2O6,,,,,,MMRCXPIWRDKMHH-UHFFFAOYSA-N,,,,,,,,,,,
100.053.186,258-523-7,53404-14-1,"1-methylheptyl 2-(2,4,5-trichlorophenoxy)propionate","1-methylheptyl 2-(2,4,5-trichlorophenoxy)propanoate",CCCCCCC(C)OC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCCCCCC(C)OC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C17H23Cl3O3/c1-4-5-6-7-8-11(2)22-17(21)12(3)23-16-10-14(19)13(18)9-15(16)20/h9-12H,4-8H2,1-3H3",C17H23Cl3O3,,,,,,NBWODOKZOKFQJY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.208,258-547-8,53422-16-5,Lithium methyl 12-oxidooctadecanoate,lithium 18-methoxy-18-oxooctadecan-7-olate,[Li+].CCCCCCC([O-])CCCCCCCCCCC(=O)OC,[Li+].CCCCCCC([O-])CCCCCCCCCCC(=O)OC,"InChI=1/C19H37O3.Li/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2;/h18H,3-17H2,1-2H3;/q-1;+1",C19H38O3.Li,,,,,,SLYRBTOYHKVOCK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.863,269-170-3,68188-96-5,"Tetrapotassium tetrahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","tetrapotassium tetrahydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.4K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;/q;4*+1/p-8",C6H20N2O12P4.4K,,,,,,AUMOSEQHACNXEW-UHFFFAOYSA-F,,,,,,,,,,,
100.053.219,258-559-3,53448-07-0,(E)-undec-2-enal,undec-2-enal,CCCCCCCC\\C=C\\C=O,CCCCCCCC\C=C\C=O,"InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3",C11H20O,,,,,,PANBRUWVURLWGY-MDZDMXLPSA-N,,,,,,,,,,,
100.053.232,258-574-5,53464-72-5,"Diethyl[8-(3,4,5-trimethoxybenzoyloxy)octyl]ammonium chloride","N,N-diethyl-8-[(3,4,5-trimethoxybenzoyl)oxy]octan-1-aminium chloride",[Cl-].CC[NH+](CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1,[Cl-].CC[NH+](CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1,"InChI=1/C22H37NO5.ClH/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4;/h16-17H,6-15H2,1-5H3;1H",C22H37NO5.ClH,,,,,,KFJZVXKPPQIYCG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.238,258-580-8,53483-70-8,p-nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride,4-nitrobenzyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride,Cl.N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])Cl,Cl.N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])Cl,"InChI=1/C14H12ClN3O5S.ClH/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22;/h1-4,10,13H,5-6,16H2;1H",C14H12ClN3O5S.ClH,,,,,,QUSLYJRJAKKYQP-VVBGOIRUSA-N,,,,,,,,,,,
100.053.240,258-582-9,53488-14-5,(octyloxy)acetaldehyde,(octyloxy)acetaldehyde,CCCCCCCCOCC=O,CCCCCCCCOCC=O,"InChI=1/C10H20O2/c1-2-3-4-5-6-7-9-12-10-8-11/h8H,2-7,9-10H2,1H3",C10H20O2,,,,,,IJPYVMFNQLITDN-UHFFFAOYSA-N,,,,,,,,,,,
100.053.244,258-587-6,53500-83-7,Isopropyl 3-methyl-3-(p-isobutylphenyl)oxirane-2-carboxylate,isopropyl 3-(4-isobutylphenyl)-3-methyloxirane-2-carboxylate,CC(C)Cc1ccc(cc1)C2(C)OC2C(=O)OC(C)C,CC(C)Cc1ccc(cc1)C2(C)OC2C(=O)OC(C)C,"InChI=1/C17H24O3/c1-11(2)10-13-6-8-14(9-7-13)17(5)15(20-17)16(18)19-12(3)4/h6-9,11-12,15H,10H2,1-5H3",C17H24O3,,,,,,CVDNLNHDGFLFBI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.245,258-588-1,53503-86-9,"2,5-dimethylpiperazine-1,4-diethanol","2,2'-(2,5-dimethylpiperazine-1,4-diyl)diethanol",CC1CN(CCO)C(C)CN1CCO,CC1CN(CCO)C(C)CN1CCO,"InChI=1/C10H22N2O2/c1-9-7-12(4-6-14)10(2)8-11(9)3-5-13/h9-10,13-14H,3-8H2,1-2H3",C10H22N2O2,,,,,,VVURKMSVSTUWJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.249,258-592-3,53510-40-0,a-methyl-4-(1-methylvinyl)cyclohexene-1-propan-1-al,3-(4-isopropenylcyclohex-1-en-1-yl)-2-methylpropanal,CC(CC1=CCC(CC1)C(=C)C)C=O,CC(CC1=CCC(CC1)C(=C)C)C=O,"InChI=1/C13H20O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4,9,11,13H,1,5-8H2,2-3H3",C13H20O,,,,,,OSGZAYGTABWPMB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.121,278-257-5,75551-82-5,"1-[[4,6-bis(methylphenylamino)-1,3,5-triazin-2-yl]amino]anthraquinone","1-({4,6-bis[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-9,10-anthraquinone",CN(c1ccccc1)c2nc(Nc3cccc4C(=O)c5ccccc5C(=O)c34)nc(n2)N(C)c6ccccc6,CN(c1ccccc1)c2nc(Nc3cccc4C(=O)c5ccccc5C(=O)c34)nc(n2)N(C)c6ccccc6,"InChI=1/C31H24N6O2/c1-36(20-12-5-3-6-13-20)30-33-29(34-31(35-30)37(2)21-14-7-4-8-15-21)32-25-19-11-18-24-26(25)28(39)23-17-10-9-16-22(23)27(24)38/h3-19H,1-2H3,(H,32,33,34,35)",C31H24N6O2,,,,,,HYIZIULQZWGIEC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.122,278-258-0,75559-05-6,"Ammonium trisodium 7-[[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,3,6-trisulphonate","ammonium trisodium 7-{[6-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}naphthalene-1,3,6-trisulfonate",[NH4+].[Na+].[Na+].[Na+].Clc5nc(Nc3cc4cc(c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(n5)N(C)c6ccccc6,[NH4+].[Na+].[Na+].[Na+].Clc5nc(Nc3cc4cc(c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(n5)N(C)c6ccccc6,"InChI=1/C30H22ClN7O13S4.H3N.3Na/c1-38(18-5-3-2-4-6-18)30-34-28(31)33-29(35-30)32-17-7-8-20-15(9-17)12-25(55(49,50)51)26(27(20)39)37-36-22-14-21-16(11-24(22)54(46,47)48)10-19(52(40,41)42)13-23(21)53(43,44)45;;;;/h2-14,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,32,33,34,35);1H3;;;/q;;3*+1/p-3",C30H22ClN7O13S4.H3N.3Na,,,,,,LBOZPVGWLZDDAI-UHFFFAOYSA-K,,,,,,,,,,,
100.072.752,280-051-5,82836-86-0,3-[o-(hexadecyloxy)phenyl]-3-oxo-N-(4-phenylthiazol-2-yl)propionamide,"3-[2-(hexadecyloxy)phenyl]-3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)propanamide",CCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc2nc(cs2)c3ccccc3,CCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc2nc(cs2)c3ccccc3,"InChI=1/C34H46N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-39-32-24-19-18-23-29(32)31(37)26-33(38)36-34-35-30(27-40-34)28-21-16-15-17-22-28/h15-19,21-24,27H,2-14,20,25-26H2,1H3,(H,35,36,38)",C34H46N2O3S,,,,,,SSGFKDXGKBJUNX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.771,280-071-4,82941-06-8,"2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenyl methacrylate","2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenyl methacrylate",CC(=C)C(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(O)c(Br)c2,CC(=C)C(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(O)c(Br)c2,"InChI=1/C19H16Br4O3/c1-9(2)18(25)26-17-14(22)7-11(8-15(17)23)19(3,4)10-5-12(20)16(24)13(21)6-10/h5-8,24H,1H2,2-4H3",C19H16Br4O3,,,,,,JBGLUFHZMYDKGF-UHFFFAOYSA-N,,,,,,,,,,,
100.065.073,271-602-0,68585-98-8,"Dodecyl toluenesulphonate, compound with 2,2'-iminodiethanol (1:1)","dodecyl 2-methylbenzenesulfonate - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCOS(=O)(=O)c1ccccc1C.OCCNCCO,CCCCCCCCCCCCOS(=O)(=O)c1ccccc1C.OCCNCCO,"InChI=1/C19H32O3S.C4H11NO2/c1-3-4-5-6-7-8-9-10-11-14-17-22-23(20,21)19-16-13-12-15-18(19)2;6-3-1-5-2-4-7/h12-13,15-16H,3-11,14,17H2,1-2H3;5-7H,1-4H2",C19H32O3S.C4H11NO2,,,,,,WEKZXOHDZCUPFR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.909,283-530-7,84674-65-7,"1-[[4-(1,1-dimethylethyl)phenyl]thio]-5-(phenylthio)anthraquinone","1-[(4-tert-butylphenyl)sulfanyl]-5-(phenylsulfanyl)-9,10-anthraquinone",CC(C)(C)c1ccc(Sc2cccc3C(=O)c4c(Sc5ccccc5)cccc4C(=O)c23)cc1,CC(C)(C)c1ccc(Sc2cccc3C(=O)c4c(Sc5ccccc5)cccc4C(=O)c23)cc1,"InChI=1/C30H24O2S2/c1-30(2,3)19-15-17-21(18-16-19)34-25-14-8-12-23-27(25)29(32)22-11-7-13-24(26(22)28(23)31)33-20-9-5-4-6-10-20/h4-18H,1-3H3",C30H24O2S2,,,,,,ICQYRMKYGAVTCP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.916,283-538-0,84681-78-7,"Piperidine-1,2-diethanol","2,2'-piperidine-1,2-diyldiethanol",OCCC1CCCCN1CCO,OCCC1CCCCN1CCO,"InChI=1/C9H19NO2/c11-7-4-9-3-1-2-5-10(9)6-8-12/h9,11-12H,1-8H2",C9H19NO2,,,,,,KEIMDCSRTSXXBP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.920,283-542-2,84681-82-3,Trialuminium bis[5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]salicylate],trialuminium bis[5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]salicylate],[Al+3].[Al+3].[Al+3].O=C([O-])c1cc(ccc1O)N=Nc3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3.[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccc(O)c(c3)C([O-])=O,[Al+3].[Al+3].[Al+3].O=C([O-])c1cc(ccc1O)N=Nc3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3.[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccc(O)c(c3)C([O-])=O,"InChI=1/2C19H14N4O6S.3Al/c2*24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29;;;/h2*1-11,24H,(H,25,26)(H,27,28,29);;;/q;;3*+3/p-4",C19H14N4O6S.2/3Al,,,,,,YOWDDTLZACOIAM-UHFFFAOYSA-J,,,,,,,,,,,
100.075.924,283-546-4,84681-86-7,1-carboxyethyl butyrate,2-(butyryloxy)propanoic acid,CCCC(=O)OC(C)C(=O)O,CCCC(=O)OC(C)C(=O)O,"InChI=1/C7H12O4/c1-3-4-6(8)11-5(2)7(9)10/h5H,3-4H2,1-2H3,(H,9,10)",C7H12O4,,,,,,QLSZXTYHGGLMNX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.926,283-549-0,84681-88-9,(nonyloxy)acetaldehyde,(nonyloxy)acetaldehyde,CCCCCCCCCOCC=O,CCCCCCCCCOCC=O,"InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-10-13-11-9-12/h9H,2-8,10-11H2,1H3",C11H22O2,,,,,,SMXFPNDYEFSMBP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.937,283-561-6,84682-00-8,"Magnesium 9,10-dihydroxyoctadecanoate (1:2)","magnesium bis(9,10-dihydroxyoctadecanoate)",[MgH2].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],[MgH2].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-],"InChI=1/2C18H36O4.Mg.2H/c2*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;;;/h2*16-17,19-20H,2-15H2,1H3,(H,21,22);;;/q;;+2;;/p-2/r2C18H36O4.H2Mg/c2*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h2*16-17,19-20H,2-15H2,1H3,(H,21,22);1H2/q;;+2/p-2",C18H36O4.1/2Mg,,,,,,YZIGJXSIBVSAPN-UHFFFAOYSA-L,,,,,,,,,,,
100.075.939,283-563-7,84682-03-1,"Zinc 3,5,5-trimethylhexanoate","zinc bis(3,5,5-trimethylhexanoate)",[Zn+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,[Zn+2].CC(CC(=O)[O-])CC(C)(C)C.CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/2C9H18O2.Zn/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);/q;;+2/p-2",C9H18O2.1/2Zn,,,,,,WNBIEHBTBOSHDF-UHFFFAOYSA-L,,,,,,,,,,,
100.070.281,277-331-4,73257-73-5,"3,3,3-trichloro-2,2-dihydroxypropionic acid","3,3,3-trichloro-2,2-dihydroxypropanoic acid",OC(=O)C(O)(O)C(Cl)(Cl)Cl,OC(=O)C(O)(O)C(Cl)(Cl)Cl,"InChI=1/C3H3Cl3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8)",C3H3Cl3O4,,,,,,IMXRFUZDYLVLKI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.282,277-333-5,73263-36-2,3-dodecyldihydrofuran-2(3H)-one,3-dodecyldihydrofuran-2(3H)-one,CCCCCCCCCCCCC1CCOC1=O,CCCCCCCCCCCCC1CCOC1=O,"InChI=1/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-18-16(15)17/h15H,2-14H2,1H3",C16H30O2,,,,,,CKVQBYJDENROIT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.285,277-336-1,73264-50-3,N-[5-(diethylamino)-2-[(5-nitro-2-thiazolyl)azo]phenyl]acetamide,"N-{5-(diethylamino)-2-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}acetamide",CCN(CC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2,CCN(CC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2,"InChI=1/C15H18N6O3S/c1-4-20(5-2)11-6-7-12(13(8-11)17-10(3)22)18-19-15-16-9-14(25-15)21(23)24/h6-9H,4-5H2,1-3H3,(H,17,22)",C15H18N6O3S,,,,,,OYAJYUJMSRXRPW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.286,277-337-7,73270-47-0,5-ethyl L-2-aminoglutarate hydrochloride,-,Cl.CCOC(=O)CCC(N)C(=O)[O-],Cl.CCOC(=O)CCC(N)C(=O)[O-],"InChI=1/C7H13NO4.ClH/c1-2-12-6(9)4-3-5(8)7(10)11;/h5H,2-4,8H2,1H3,(H,10,11);1H/p-1",C7H13NO4.ClH,,,,,,JEDUWQDSBRHBIP-UHFFFAOYSA-M,,,,,,,,,,,
100.070.290,277-341-9,73275-66-8,"Ethyl 5-[3-acetamido-4-[(5-nitrothiazol-2-yl)azo]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate","({3-acetamido-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}imino)diethane-2,1-diyl diethyl biscarbonate",CCOC(=O)OCCN(CCOC(=O)OCC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2,CCOC(=O)OCCN(CCOC(=O)OCC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2,"InChI=1/C21H26N6O9S/c1-4-33-20(29)35-10-8-26(9-11-36-21(30)34-5-2)15-6-7-16(17(12-15)23-14(3)28)24-25-19-22-13-18(37-19)27(31)32/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,23,28)",C21H26N6O9S,,,,,,PXARMKRMYSIPIY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.014,277-039-7,72927-98-1,"Disodium hydrogen 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-morpholino-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate","disodium hydrogen 5-[(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-2-sulfonatophenyl}amino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]-2-hydroxybenzoate",[H+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc7nc(nc(Nc6ccc(Nc5cc(c(N)c4C(=O)c3ccccc3C(=O)c45)S([O-])(=O)=O)cc6S([O-])(=O)=O)n7)N8CCOCC8,[H+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc7nc(nc(Nc6ccc(Nc5cc(c(N)c4C(=O)c3ccccc3C(=O)c45)S([O-])(=O)=O)cc6S([O-])(=O)=O)n7)N8CCOCC8,"InChI=1/C40H32N10O12S2.2Na.H2/c41-34-31(64(59,60)61)19-28(32-33(34)36(53)25-4-2-1-3-24(25)35(32)52)42-22-9-11-27(30(18-22)63(56,57)58)44-39-45-38(46-40(47-39)50-13-15-62-16-14-50)43-20-5-7-21(8-6-20)48-49-23-10-12-29(51)26(17-23)37(54)55;;;/h1-12,17-19,42,51H,13-16,41H2,(H,54,55)(H,56,57,58)(H,59,60,61)(H2,43,44,45,46,47);;;1H/q;3*+1/p-3",C40H32N10O12S2.2Na,,,,,,GKOWVKUBQLNSJG-UHFFFAOYSA-L,,,,,,,,,,,
100.070.018,277-043-9,72928-02-0,4-propylphenyl trans-4-(4-propylcyclohexyl)benzoate,4-propylphenyl 4-(4-propylcyclohexyl)benzoate,CCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(CCC)cc3,CCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(CCC)cc3,"InChI=1/C25H32O2/c1-3-5-19-7-11-21(12-8-19)22-13-15-23(16-14-22)25(26)27-24-17-9-20(6-4-2)10-18-24/h9-10,13-19,21H,3-8,11-12H2,1-2H3",C25H32O2,,,,,,TVAPGSSMRUFIFN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.022,277-048-6,72928-06-4,ß-methylenebicyclo[2.2.1]heptane-2-propiononitrile,3-bicyclo[2.2.1]hept-2-ylbut-3-enenitrile,C=C(CC#N)C1CC2CCC1C2,C=C(CC#N)C1CC2CCC1C2,"InChI=1/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h9-11H,1-4,6-7H2",C11H15N,,,,,,OAOBTFQDDZCFJD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.024,277-050-7,72928-08-6,"N,N'-(ethoxymethylsilylene)bis[N-methylpropionamide]","N,N'-[ethoxy(methyl)silanediyl]bis(N-methylpropanamide)",CCO[Si](C)(N(C)C(=O)CC)N(C)C(=O)CC,CCO[Si](C)(N(C)C(=O)CC)N(C)C(=O)CC,"InChI=1/C11H24N2O3Si/c1-7-10(14)12(4)17(6,16-9-3)13(5)11(15)8-2/h7-9H2,1-6H3",C11H24N2O3Si,,,,,,RMHIJUWLNYRAQA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.026,277-052-8,72928-13-3,"3,4,5,6,7,8-hexahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-one","3,3,5,5-tetramethyl-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one",CC1(C)CCCC2=C1CC(C)(C)C(=O)C2,CC1(C)CCCC2=C1CC(C)(C)C(=O)C2,"InChI=1/C14H22O/c1-13(2)7-5-6-10-8-12(15)14(3,4)9-11(10)13/h5-9H2,1-4H3",C14H22O,,,,,,APWZTNHOEIXMIH-UHFFFAOYSA-N,,,,,,,,,,,
100.063.384,269-744-3,68311-05-7,7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile,7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile,CC(C)C1CC2CC(C#N)C1C=C2C,CC(C)C1CC2CC(C#N)C1C=C2C,"InChI=1/C13H19N/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h4,8,10-13H,5-6H2,1-3H3",C13H19N,,,,,,ZKFIXNXVHDGDTA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.393,269-754-8,68311-20-6,Potassium butoxyethoxypropionate,potassium 2-(1-butoxyethoxy)propanoate,[K+].CCCCOC(C)OC(C)C(=O)[O-],[K+].CCCCOC(C)OC(C)C(=O)[O-],"InChI=1/C9H18O4.K/c1-4-5-6-12-8(3)13-7(2)9(10)11;/h7-8H,4-6H2,1-3H3,(H,10,11);/q;+1/p-1",C9H18O4.K,,,,,,RTRYSRVMRWYOKR-UHFFFAOYSA-M,,,,,,,,,,,
100.063.395,269-756-9,68318-17-2,3-hexylbut-3-en-2-one,3-methylenenonan-2-one,CCCCCCC(=C)C(=O)C,CCCCCCC(=C)C(=O)C,"InChI=1/C10H18O/c1-4-5-6-7-8-9(2)10(3)11/h2,4-8H2,1,3H3",C10H18O,,,,,,GNRZAJLYNQVOHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.398,269-760-0,68318-36-5,3-[(carboxymethyl)[(heptadecafluorooctyl)sulphonyl]amino]propyltrimethylammonium hydroxide,"3-{(carboxymethyl)[(heptadecafluorooctyl)sulfonyl]amino}-N,N,N-trimethylpropan-1-aminium hydroxide",[OH-].C[N+](C)(C)CCCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[OH-].C[N+](C)(C)CCCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H17F17N2O4S.H2O/c1-35(2,3)6-4-5-34(7-8(36)37)40(38,39)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31;/h4-7H2,1-3H3;1H2",C16H17F17N2O4S,,,,,,WTSDDSGIWUOMDS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.400,269-762-1,68318-38-7,"4,4',4''-[2-chloro-1-(dichloromethylene)propan-1-yl-3-ylidene]trismorpholine","4,4',4''-(1,1,3-trichlorobut-1-ene-2,4,4-triyl)trimorpholine",ClC(C(N1CCOCC1)N2CCOCC2)C(=C(Cl)Cl)N3CCOCC3,ClC(C(N1CCOCC1)N2CCOCC2)C(=C(Cl)Cl)N3CCOCC3,"InChI=1/C16H26Cl3N3O3/c17-13(14(15(18)19)20-1-7-23-8-2-20)16(21-3-9-24-10-4-21)22-5-11-25-12-6-22/h13,16H,1-12H2",C16H26Cl3N3O3,,,,,,YVWFFAAZXOIGDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.403,269-765-8,68324-21-0,N-cyano-N-(hydroxymethyl)guanidinium phosphate,tris[amino-N-cyano-N-(hydroxymethyl)(imino)methanaminium] phosphate,NC(=N)[NH+](CO)C#N.NC(=N)[NH+](CO)C#N.NC(=N)[NH+](CO)C#N.[O-]P(=O)([O-])[O-],NC(=N)[NH+](CO)C#N.NC(=N)[NH+](CO)C#N.NC(=N)[NH+](CO)C#N.[O-]P(=O)([O-])[O-],"InChI=1/3C3H6N4O.H3O4P/c3*4-1-7(2-8)3(5)6;1-5(2,3)4/h3*8H,2H2,(H3,5,6);(H3,1,2,3,4)",C3H6N4O.H3O4P,,,,,,JLBRPHOPZPIIDH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.487,279-759-7,81422-01-7,"2-hydroxyethyl (3,4-dimethylphenoxy)acetate","2-hydroxyethyl (3,4-dimethylphenoxy)acetate",Cc1ccc(OCC(=O)OCCO)cc1C,Cc1ccc(OCC(=O)OCCO)cc1C,"InChI=1/C12H16O4/c1-9-3-4-11(7-10(9)2)16-8-12(14)15-6-5-13/h3-4,7,13H,5-6,8H2,1-2H3",C12H16O4,,,,,,FMTPLFOLRWJUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.491,279-763-9,81430-43-5,[4-[(2-cyanoethyl)ethylamino]phenyl]ethylenetricarbonitrile,"2-{4-[(2-cyanoethyl)(ethyl)amino]phenyl}ethene-1,1,2-tricarbonitrile",CCN(CCC#N)c1ccc(cc1)C(=C(C#N)C#N)C#N,CCN(CCC#N)c1ccc(cc1)C(=C(C#N)C#N)C#N,"InChI=1/C16H13N5/c1-2-21(9-3-8-17)15-6-4-13(5-7-15)16(12-20)14(10-18)11-19/h4-7H,2-3,9H2,1H3",C16H13N5,,,,,,IJGKINWRCQCUSV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.001,269-322-9,68220-31-5,"Benzothiazolium, 3-ethyl-2-[[3-[3-[3-[(3-ethyl-5,6-dimethoxy-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-5,6-dimethoxy-, perchlorate","3-ethyl-2-{[3-(3-{3-[(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-1-en-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]methyl}-5,6-dimethoxy-1,3-benzothiazol-3-ium perchlorate",[O-]Cl(=O)(=O)=O.CC[n+]5c6cc(OC)c(OC)cc6sc5C=C1\\C=C(/CC(C)(C)C1)C=CC=C2\\C=C(/CC(C)(C)C2)C=C4Sc3cc(OC)c(cc3N4CC)OC,[O-]Cl(=O)(=O)=O.CC[n+]5c6cc(OC)c(OC)cc6sc5C=C1\C=C(/CC(C)(C)C1)C=CC=C2\C=C(/CC(C)(C)C2)C=C4Sc3cc(OC)c(cc3N4CC)OC,"InChI=1/C43H53N2O4S2.ClHO4/c1-11-44-32-20-34(46-7)36(48-9)22-38(32)50-40(44)18-30-16-28(24-42(3,4)26-30)14-13-15-29-17-31(27-43(5,6)25-29)19-41-45(12-2)33-21-35(47-8)37(49-10)23-39(33)51-41;2-1(3,4)5/h13-23H,11-12,24-27H2,1-10H3;(H,2,3,4,5)/q+1;/p-1",C43H53N2O4S2.ClO4,,,,,,LJGUUQQEDUELFT-UHFFFAOYSA-M,,,,,,,,,,,
100.063.010,269-332-3,68226-94-8,"Dirubidium 4,4'-methylenebis[3-hydroxy-2-naphthoate]","dirubidium 4,4'-methylenebis(3-hydroxy-2-naphthoate)",[Rb+].[Rb+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-],[Rb+].[Rb+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-],"InChI=1/C23H16O6.2Rb/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2",C23H16O6.2Rb,,,,,,ZEVADHLYTIQGRA-UHFFFAOYSA-L,,,,,,,,,,,
100.063.011,269-333-9,68226-95-9,"Dipotassium 4,4'-methylenebis[3-hydroxy-2-naphthoate]","dipotassium 4,4'-methylenebis(3-hydroxy-2-naphthoate)",[K+].[K+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-],[K+].[K+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-],"InChI=1/C23H16O6.2K/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2",C23H16O6.2K,,,,,,TXJHTNYUHQATPI-UHFFFAOYSA-L,,,,,,,,,,,
100.063.016,269-339-1,68227-25-8,"Oleic acid, compound with 1,3,5-triazine-1,3,5(2H,4H,6H)-triethanol","octadec-9-enoic acid - 2,2',2''-(1,3,5-triazinane-1,3,5-triyl)triethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.OCCN1CN(CCO)CN(CCO)C1,CCCCCCCC\C=C/CCCCCCCC(=O)O.OCCN1CN(CCO)CN(CCO)C1,"InChI=1/C18H34O2.C9H21N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h9-10H,2-8,11-17H2,1H3,(H,19,20);13-15H,1-9H2",C18H34O2.xC9H21N3O3,,,,,,XUKNNEQNKFYXCS-KVVVOXFISA-N,,,,,,,,,,,
100.063.019,269-342-8,68227-28-1,1-(butylamino)-4-(methylamino)anthraquinone,"1-(butylamino)-4-(methylamino)-9,10-anthraquinone",CCCCNc1ccc(NC)c2C(=O)c3ccccc3C(=O)c12,CCCCNc1ccc(NC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H20N2O2/c1-3-4-11-21-15-10-9-14(20-2)16-17(15)19(23)13-8-6-5-7-12(13)18(16)22/h5-10,20-21H,3-4,11H2,1-2H3",C19H20N2O2,,,,,,KWKQLGSQUUYRDV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.247,281-698-6,84012-57-7,"2-(1-piperidinylmethyl)-1,2-benzisothiazol-3(2H)-one","2-(piperidin-1-ylmethyl)-1,2-benzisothiazol-3(2H)-one",O=C1N(CN2CCCCC2)Sc3ccccc13,O=C1N(CN2CCCCC2)Sc3ccccc13,"InChI=1/C13H16N2OS/c16-13-11-6-2-3-7-12(11)17-15(13)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2",C13H16N2OS,,,,,,NCHWTFBQYUSMGV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.248,281-699-1,84012-58-8,"2-[(diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one","2-[(diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one",CCN(CC)CN1Sc2ccccc2C1=O,CCN(CC)CN1Sc2ccccc2C1=O,"InChI=1/C12H16N2OS/c1-3-13(4-2)9-14-12(15)10-7-5-6-8-11(10)16-14/h5-8H,3-4,9H2,1-2H3",C12H16N2OS,,,,,,AHUSTNSWINPTNT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.111,277-145-3,72968-69-5,Hexyl 2-(ethylideneamino)benzoate,hexyl 2-(ethylideneamino)benzoate,CC=Nc1ccccc1C(=O)OCCCCCC,CC=Nc1ccccc1C(=O)OCCCCCC,"InChI=1/C15H21NO2/c1-3-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16-4-2/h4,7-8,10-11H,3,5-6,9,12H2,1-2H3",C15H21NO2,,,,,,SLZBWFCFGYFQBU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.116,277-151-6,72968-75-3,"Sodium 2-[[[2,5-dichloro-4-[(2-phenyl-1H-indol-3-yl)azo]phenyl]sulphonyl]amino]ethanesulphonate","sodium 2-[({2,5-dichloro-4-[(2-phenyl-1H-indol-3-yl)diazenyl]phenyl}sulfonyl)amino]ethanesulfonate",[Na+].[O-]S(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c4ccccc4nc2c3ccccc3,[Na+].[O-]S(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c4ccccc4nc2c3ccccc3,"InChI=1/C22H18Cl2N4O5S2.Na/c23-16-13-20(35(32,33)25-10-11-34(29,30)31)17(24)12-19(16)27-28-22-15-8-4-5-9-18(15)26-21(22)14-6-2-1-3-7-14;/h1-9,12-13,25-26H,10-11H2,(H,29,30,31);/q;+1/p-1",C22H18Cl2N4O5S2.Na,,,,,,CRRRYPHVCHHMIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.070.263,277-312-0,73183-80-9,"1,1,3,3-tetramethyl-6-nitroindan-5-ol","1,1,3,3-tetramethyl-6-nitroindan-5-ol",CC1(C)CC(C)(C)c2cc(c(O)cc12)[N+](=O)[O-],CC1(C)CC(C)(C)c2cc(c(O)cc12)[N+](=O)[O-],"InChI=1/C13H17NO3/c1-12(2)7-13(3,4)9-6-11(15)10(14(16)17)5-8(9)12/h5-6,15H,7H2,1-4H3",C13H17NO3,,,,,,IFMWQOBINNJAKV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.264,277-313-6,73188-73-5,Copper bis(methylbenzenesulphonate),copper(2+) bis(2-methylbenzenesulfonate),[Cu+2].O=S([O-])(=O)c1ccccc1C.[O-]S(=O)(=O)c1ccccc1C,[Cu+2].O=S([O-])(=O)c1ccccc1C.[O-]S(=O)(=O)c1ccccc1C,"InChI=1/2C7H8O3S.Cu/c2*1-6-4-2-3-5-7(6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2",C7H8O3S.1/2Cu,,,,,,SGYSNRGEYVWMQE-UHFFFAOYSA-L,,,,,,,,,,,
100.070.265,277-314-1,73193-59-6,"Diethyl 3-oxopiperidine-1,4-dicarboxylate","diethyl 3-oxopiperidine-1,4-dicarboxylate",CCOC(=O)C1CCN(CC1=O)C(=O)OCC,CCOC(=O)C1CCN(CC1=O)C(=O)OCC,"InChI=1/C11H17NO5/c1-3-16-10(14)8-5-6-12(7-9(8)13)11(15)17-4-2/h8H,3-7H2,1-2H3",C11H17NO5,,,,,,ZYDLREJETGYCGW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.024,269-348-0,68227-33-8,"2,5,8,11-tetramethyldodec-6-yne-5,8-diol","2,5,8,11-tetramethyldodec-6-yne-5,8-diol",CC(C)CCC(C)(O)C#CC(C)(O)CCC(C)C,CC(C)CCC(C)(O)C#CC(C)(O)CCC(C)C,"InChI=1/C16H30O2/c1-13(2)7-9-15(5,17)11-12-16(6,18)10-8-14(3)4/h13-14,17-18H,7-10H2,1-6H3",C16H30O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10346,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.024,RHRRUYIZUBAQTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.134,277-171-5,72984-37-3,"Tripotassium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionate","tripotassium 3-(2-carboxylatoethyl)-5-(carboxylatomethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2H,3H-porphine-7-carboxylate",[K+].[K+].[K+].CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-],[K+].[K+].[K+].CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-],"InChI=1/C34H34N4O6.3K/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;/q;3*+1/p-3",C34H36N4O6.3K,,,,,,YGRSUWFSQXHQCQ-HDCLIJNVSA-K,,,,,,,,,,,
100.070.153,277-191-4,72987-62-3,2-ethyl-3-(methylthio)pyrazine,2-ethyl-3-(methylsulfanyl)pyrazine,CCc1nccnc1SC,CCc1nccnc1SC,"InChI=1/C7H10N2S/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3",C7H10N2S,,,,,,XYHPPOMSLGJAAM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.154,277-193-5,72996-78-2,Methyl 4-[(propionyl)phenylamino]piperidine-4-carboxylate,methyl 4-[phenyl(propionyl)amino]piperidine-4-carboxylate,CCC(=O)N(c1ccccc1)C2(CCNCC2)C(=O)OC,CCC(=O)N(c1ccccc1)C2(CCNCC2)C(=O)OC,"InChI=1/C16H22N2O3/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16/h4-8,17H,3,9-12H2,1-2H3",C16H22N2O3,,,,,,HFNFODVRYCEIQL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.155,277-194-0,72998-56-2,1-ethyl-2-[3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]quinolinium iodide,"1-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium iodide",[I-].CC[n+]3c4ccccc4ccc3C=CC=C2Oc1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=CC=C2Oc1ccccc1N2CC,"InChI=1/C23H23N2O.HI/c1-3-24-19(17-16-18-10-5-6-12-20(18)24)11-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2O.I,,,,,,ZYHGRNUNHLNLTR-UHFFFAOYSA-M,,,,,,,,,,,
100.070.879,277-990-8,74760-14-8,"[(3,4,5-trimethoxyphenoxy)methyl]oxirane","2-[(3,4,5-trimethoxyphenoxy)methyl]oxirane",COc1cc(OCC2CO2)cc(OC)c1OC,COc1cc(OCC2CO2)cc(OC)c1OC,"InChI=1/C12H16O5/c1-13-10-4-8(16-6-9-7-17-9)5-11(14-2)12(10)15-3/h4-5,9H,6-7H2,1-3H3",C12H16O5,,,,,,DMPSZPVEKHHIBR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.881,277-992-9,74764-74-2,Trisodium 2-[2-(4-nitro-2-sulphonatophenyl)vinyl]-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]benzenesulphonate,trisodium 5-nitro-2-{2-[2-sulfonato-4-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]vinyl}benzenesulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc3ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)c(c3)S([O-])(=O)=O)cc4,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc3ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)c(c3)S([O-])(=O)=O)cc4,"InChI=1/C26H19N5O11S3.3Na/c32-31(33)23-12-4-18(26(16-23)45(40,41)42)2-1-17-3-5-22(15-25(17)44(37,38)39)30-29-20-8-6-19(7-9-20)27-28-21-10-13-24(14-11-21)43(34,35)36;;;/h1-16H,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3",C26H19N5O11S3.3Na,,,,,,KCCWXWDBPHDQCI-XOYOJFQASA-K,,,,,,,,,,,
100.070.883,277-995-5,74787-46-5,"1,4,4a,5,6,7,8,8a-octahydro-5-methyl-1,4-methanonaphthalen-5-yl formate","5-methyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-methanonaphthalen-5-yl formate",CC1(CCCC2C3CC(C=C3)C12)OC=O,CC1(CCCC2C3CC(C=C3)C12)OC=O,"InChI=1/C13H18O2/c1-13(15-8-14)6-2-3-11-9-4-5-10(7-9)12(11)13/h4-5,8-12H,2-3,6-7H2,1H3",C13H18O2,,,,,,QNQHYBLGQZYPSY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.896,278-009-6,74853-07-9,"2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one","4-{4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one",COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NNC4=O,COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NNC4=O,"InChI=1/C19H21N5O2/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)15-2-4-17(5-3-15)24-14-20-21-19(24)25/h2-9,14H,10-13H2,1H3,(H,21,25)",C19H21N5O2,,,,,,SEHQVBVJJRRRSG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.900,278-013-8,74878-31-2,"Ethyl 4-amino-3,5-dichlorobenzoate","ethyl 4-amino-3,5-dichlorobenzoate",CCOC(=O)c1cc(Cl)c(N)c(Cl)c1,CCOC(=O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C9H9Cl2NO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3",C9H9Cl2NO2,,,,,,MIDALAPASRDTOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.904,278-018-5,74900-77-9,Sodium 4-(p-aminoanilino)-3-nitrobenzenesulphonate,sodium 4-[(4-aminophenyl)amino]-3-nitrobenzenesulfonate,[Na+].Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)[O-])cc1,[Na+].Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)[O-])cc1,"InChI=1/C12H11N3O5S.Na/c13-8-1-3-9(4-2-8)14-11-6-5-10(21(18,19)20)7-12(11)15(16)17;/h1-7,14H,13H2,(H,18,19,20);/q;+1/p-1",C12H11N3O5S.Na,,,,,,JJZUHCIOZCTEBR-UHFFFAOYSA-M,,,,,,,,,,,
100.070.906,278-020-6,74912-42-8,2-bromo-3-hydroxy-1-methyl-2-nitrobutyl decanoate,"3-bromo-2-O-decanoyl-1,3,5-trideoxy-3-nitropentitol",CCCCCCCCCC(=O)OC(C)C(Br)(C(C)O)[N+](=O)[O-],CCCCCCCCCC(=O)OC(C)C(Br)(C(C)O)[N+](=O)[O-],"InChI=1/C15H28BrNO5/c1-4-5-6-7-8-9-10-11-14(19)22-13(3)15(16,12(2)18)17(20)21/h12-13,18H,4-11H2,1-3H3",C15H28BrNO5,,,,,,JLPOMTDHZCNARV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.907,278-021-1,74912-73-5,"1,3,5-tribromo-2-[(2-methylallyl)oxy]benzene","1,3,5-tribromo-2-[(2-methylprop-2-en-1-yl)oxy]benzene",CC(=C)COc1c(Br)cc(Br)cc1Br,CC(=C)COc1c(Br)cc(Br)cc1Br,"InChI=1/C10H9Br3O/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4H,1,5H2,2H3",C10H9Br3O,,,,,,FEQUNVGZLNZWBK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.293,277-345-0,73281-07-9,Disodium 5-[(2-hydroxy-5-methylphenyl)azo]-2-[2-(4-nitro-2-sulphonatophenyl)vinyl]benzenesulphonate,disodium 5-[(2-hydroxy-5-methylphenyl)diazenyl]-2-[2-(4-nitro-2-sulfonatophenyl)vinyl]benzenesulfonate,[Na+].[Na+].Oc3ccc(C)cc3N=Nc2ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(c2)S([O-])(=O)=O,[Na+].[Na+].Oc3ccc(C)cc3N=Nc2ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(c2)S([O-])(=O)=O,"InChI=1/C21H17N3O9S2.2Na/c1-13-2-9-19(25)18(10-13)23-22-16-7-5-14(20(11-16)34(28,29)30)3-4-15-6-8-17(24(26)27)12-21(15)35(31,32)33;;/h2-12,25H,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C21H17N3O9S2.2Na,,,,,,OUYPBVXIWGMYEI-BLUOJXCYSA-L,,,,,,,,,,,
100.070.299,277-351-3,73287-52-2,"2-[2-[(1-oxoallyl)oxy]ethoxy]ethyl N,N-diethyl-ß-alaninate","2-[2-(acryloyloxy)ethoxy]ethyl N,N-diethyl-beta-alaninate",CCN(CC)CCC(=O)OCCOCCOC(=O)C=C,CCN(CC)CCC(=O)OCCOCCOC(=O)C=C,"InChI=1/C14H25NO5/c1-4-13(16)19-11-9-18-10-12-20-14(17)7-8-15(5-2)6-3/h4H,1,5-12H2,2-3H3",C14H25NO5,,,,,,CNHYJXIHRPPVEW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.061,269-388-9,68227-77-0,"1,1',1''-(1,3,5-trithiane-2,4,6-triyl)triprop-1-en-2-ol","1,1',1''-(1,3,5-trithiane-2,4,6-triyl)trisprop-1-en-2-ol",OC(C)=CC1SC(SC(C=C(C)O)S1)C=C(C)O,OC(C)=CC1SC(SC(C=C(C)O)S1)C=C(C)O,"InChI=1/C12H18O3S3/c1-7(13)4-10-16-11(5-8(2)14)18-12(17-10)6-9(3)15/h4-6,10-15H,1-3H3",C12H18O3S3,,,,,,WMXFCRSJGCGONI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.067,269-395-7,68227-99-6,4-[methyl[(undecafluoropentyl)sulphonyl]amino]butyl acrylate,4-{methyl[(undecafluoropentyl)sulfonyl]amino}butyl acrylate,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H14F11NO4S/c1-3-8(26)29-7-5-4-6-25(2)30(27,28)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h3H,1,4-7H2,2H3",C13H14F11NO4S,,,,,,IGHHYZVIDWXKMF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.071,269-399-9,68228-04-6,"Oleic acid, compound with 2-(heptadecenyl)-5H-oxazole-4,4-dimethanol (1:1)","octadec-9-enoic acid - (2-heptadec-1-en-1-yl-4,5-dihydro-1,3-oxazole-4,4-diyl)dimethanol (1:1)",OCC1(CO)/N=C(/C=CCCCCCCCCCCCCCCC)OC1.CCCCCCCC\\C=C/CCCCCCCC(O)=O,OCC1(CO)/N=C(/C=CCCCCCCCCCCCCCCC)OC1.CCCCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1/C22H41NO3.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17,24-25H,2-15,18-20H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C22H41NO3.C18H34O2,,,,,,WMOSGLPKNLDAMB-SVMKZPJVSA-N,,,,,,,,,,,
100.063.088,269-418-0,68239-05-4,"(2-hydroxy-1,1-dimethylethyl)ammonium palmitate",1-hydroxy-2-methylpropan-2-aminium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].CC(C)([NH3+])CO,CCCCCCCCCCCCCCCC(=O)[O-].CC(C)([NH3+])CO,"InChI=1/C16H32O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-4(2,5)3-6/h2-15H2,1H3,(H,17,18);6H,3,5H2,1-2H3",C16H32O2.C4H11NO,,,,,,JCAUMMFFSUIVSB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.089,269-419-6,68239-06-5,"2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane","2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane",CCCCCCCC1C(CCCCC)CCC(CCCCCCCCCN=C=O)C1CCCCCCCCCN=C=O,CCCCCCCC1C(CCCCC)CCC(CCCCCCCCCN=C=O)C1CCCCCCCCCN=C=O,"InChI=1/C38H70N2O2/c1-3-5-7-14-21-27-37-35(25-19-6-4-2)29-30-36(26-20-15-10-8-12-17-23-31-39-33-41)38(37)28-22-16-11-9-13-18-24-32-40-34-42/h35-38H,3-32H2,1-2H3",C38H70N2O2,,,,,,AMUBKBXGFDIMDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.092,269-422-2,68239-09-8,2-(methylthio)-1-(3-sulphonatopropyl)quinolinium,3-[2-(methylsulfanyl)quinolinium-1-yl]propane-1-sulfonate,CSc1ccc2ccccc2[n+]1CCCS(=O)(=O)[O-],CSc1ccc2ccccc2[n+]1CCCS(=O)(=O)[O-],"InChI=1/C13H15NO3S2/c1-18-13-8-7-11-5-2-3-6-12(11)14(13)9-4-10-19(15,16)17/h2-3,5-8H,4,9-10H2,1H3",C13H15NO3S2,,,,,,WMDSVEWSDJCYTK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.093,269-423-8,68239-10-1,"Hydrogen 2-[2-methyl-3-[3-(3-sulphonatopropyl)benzothiazol-2(3H)-ylidene]prop-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)","hydrogen 3-[2-{2-methyl-3-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate - N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCCS([O-])(=O)=O,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CCCS([O-])(=O)=O,"InChI=1/C24H26N2O6S4.C6H15N.H2/c1-18(16-23-25(12-6-14-35(27,28)29)19-8-2-4-10-21(19)33-23)17-24-26(13-7-15-36(30,31)32)20-9-3-5-11-22(20)34-24;1-4-7(5-2)6-3;/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,27,28,29,30,31,32);4-6H2,1-3H3;1H/q;;+1/p-1",C24H26N2O6S4.C6H15N,,,,,,PUPSWTJBTQACDC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.101,269-432-7,68239-20-3,3-[[3-(tridecyloxy)propyl]amino]propiononitrile,3-{[3-(tridecyloxy)propyl]amino}propanenitrile,CCCCCCCCCCCCCOCCCNCCC#N,CCCCCCCCCCCCCOCCCNCCC#N,"InChI=1/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-22-19-14-17-21-16-13-15-20/h21H,2-14,16-19H2,1H3",C19H38N2O,,,,,,NYRMZTSOGRXXIL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.051,281-482-1,83950-31-6,"[4-[[4-(diethylamino)phenyl][4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]ethyl(2-hydroxyethyl)ammonium acetate","N-[4-([4-(diethylamino)phenyl]{4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl}methylene)-3-methylcyclohexa-2,5-dien-1-ylidene]-N-ethyl-2-hydroxyethanaminium acetate",C\\C3=C\\C(\\C=C/C3=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(CC)CCO)=[N+](CCO)CC.[O-]C(C)=O,C\C3=C\C(\C=C/C3=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(CC)CCO)=[N+](CCO)CC.[O-]C(C)=O,"InChI=1/C33H46N3O2.C2H4O2/c1-7-34(8-2)28-13-11-27(12-14-28)33(31-17-15-29(23-25(31)5)35(9-3)19-21-37)32-18-16-30(24-26(32)6)36(10-4)20-22-38;1-2(3)4/h11-18,23-24,37-38H,7-10,19-22H2,1-6H3;1H3,(H,3,4)/q+1;/p-1",C33H46N3O2.C2H3O2,,,,,,WAVZHZUAYPRUKX-UHFFFAOYSA-M,,,,,,,,,,,
100.074.125,281-563-1,83968-83-6,"1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with acetic acid (1:1)","1-amino-4-({4-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone acetate",CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1.CC(=O)O,CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1.CC(=O)O,"InChI=1/C23H21N3O2.C2H4O2/c1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27;1-2(3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,3,4)",C23H21N3O2.C2H4O2,,,,,,PXGXWZHUDOZTOK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.127,281-565-2,83968-85-8,"1-amino-4-[3-[(dimethylamino)methyl]anilino]anthraquinone, compound with sulphuric acid (2:1)","1-amino-4-({3-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone sulfate (2:1)",CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1.CN(C)Cc5cccc(Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67)c5.OS(=O)(=O)O,CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1.CN(C)Cc5cccc(Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67)c5.OS(=O)(=O)O,"InChI=1/2C23H21N3O2.H2O4S/c2*1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;1-5(2,3)4/h2*3-12,25H,13,24H2,1-2H3;(H2,1,2,3,4)",C23H21N3O2.1/2H2O4S,,,,,,XZKFVOYKUWRVHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.130,281-568-9,83968-89-2,"1,2,3,3-tetramethyl-3H-indolium dihydrogen phosphate","1,2,3,3-tetramethyl-3H-indolium dihydrogen phosphate",CC1=[N+](C)c2ccccc2C1(C)C.[O-]P(=O)([O-])[O-],CC1=[N+](C)c2ccccc2C1(C)C.[O-]P(=O)([O-])[O-],"InChI=1/C12H16N.H3O4P/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5(2,3)4/h5-8H,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C12H16N.H2O4P,,,,,,IXFAGCSPMNGYDY-UHFFFAOYSA-K,,,,,,,,,,,
100.070.036,277-063-8,72928-29-1,"4'-(undecyloxy)[1,1'-biphenyl]-4-carbonitrile",4'-(undecyloxy)biphenyl-4-carbonitrile,CCCCCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C24H31NO/c1-2-3-4-5-6-7-8-9-10-19-26-24-17-15-23(16-18-24)22-13-11-21(20-25)12-14-22/h11-18H,2-10,19H2,1H3",C24H31NO,,,,,,BWRJKFPLVHZYLY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.039,277-066-4,72928-33-7,"3-methyl-1,1-bis(methylthio)butane","3-methyl-1,1-bis(methylsulfanyl)butane",CSC(CC(C)C)SC,CSC(CC(C)C)SC,"InChI=1/C7H16S2/c1-6(2)5-7(8-3)9-4/h6-7H,5H2,1-4H3",C7H16S2,,,,,,JKSYPILEIRVFAL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.042,277-070-6,72928-36-0,Hex-3-enyl acetoacetate,hex-3-en-1-yl 3-oxobutanoate,CCC=CCCOC(=O)CC(C)=O,CCC=CCCOC(=O)CC(C)=O,"InChI=1/C10H16O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5H,3,6-8H2,1-2H3",C10H16O3,,,,,,JCPGKFSGEPVXMI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.046,277-074-8,72928-45-1,"1,5-dimethyl-1-vinyl-4-hexenyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate","1,5-dimethyl-1-vinylhex-4-en-1-yl 2-[(2-benzylideneoctylidene)amino]benzoate",C/C(C)=C\\CCC(C)(C=C)OC(=O)c2ccccc2N=CC(=Cc1ccccc1)CCCCCC,C/C(C)=C\CCC(C)(C=C)OC(=O)c2ccccc2N=CC(=Cc1ccccc1)CCCCCC,"InChI=1/C32H41NO2/c1-6-8-9-11-20-28(24-27-18-12-10-13-19-27)25-33-30-22-15-14-21-29(30)31(34)35-32(5,7-2)23-16-17-26(3)4/h7,10,12-15,17-19,21-22,24-25H,2,6,8-9,11,16,20,23H2,1,3-5H3",C32H41NO2,,,,,,FFYKJGASIBFVHC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.049,277-077-4,72928-48-4,Decyl isovalerate,decyl 3-methylbutanoate,CCCCCCCCCCOC(=O)CC(C)C,CCCCCCCCCCOC(=O)CC(C)C,"InChI=1/C15H30O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-13H2,1-3H3",C15H30O2,,,,,,VKGHOXUAAAZEBE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.052,277-081-6,72928-51-9,"1,2,3,4,5,6,7,8-octahydro-8,8-dimethylnaphthalene-2-carbonitrile","8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile",CC1(C)CCCC2=C1CC(CC2)C#N,CC1(C)CCCC2=C1CC(CC2)C#N,"InChI=1/C13H19N/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h10H,3-8H2,1-2H3",C13H19N,,,,,,GYSKLORPARLOKC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.055,277-084-2,72928-54-2,trans-4-(4-ethylcyclohexyl)benzonitrile,4-(4-ethylcyclohexyl)benzonitrile,CCC1CCC(CC1)c2ccc(cc2)C#N,CCC1CCC(CC1)c2ccc(cc2)C#N,"InChI=1/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3",C15H19N,,,,,,BBHJTCADCKZYSO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.056,277-085-8,72928-55-3,p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate,4-cyanophenyl 4-(4-pentylcyclohexyl)benzoate,CCCCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N,CCCCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N,"InChI=1/C25H29NO2/c1-2-3-4-5-19-6-10-21(11-7-19)22-12-14-23(15-13-22)25(27)28-24-16-8-20(18-26)9-17-24/h8-9,12-17,19,21H,2-7,10-11H2,1H3",C25H29NO2,,,,,,IPGHZWGLMSBNAV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.426,269-790-4,68333-80-2,"Alcohols, C14-16",pentadecan-1-ol,CCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCO,"InChI=1/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3",-,,,,,,REIUXOLGHVXAEO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.467,269-835-8,68334-56-5,1-chloro-3-(tridecyloxy)propan-2-ol,1-chloro-3-(tridecyloxy)propan-2-ol,CCCCCCCCCCCCCOCC(O)CCl,CCCCCCCCCCCCCOCC(O)CCl,"InChI=1/C16H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h16,18H,2-15H2,1H3",C16H33ClO2,,,,,,KRJPINKFDNZHTL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.147,281-587-2,83969-10-2,"2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-(2-{4-[(2-chloroethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulfate",CN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C22H26ClN2.H2O4S/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5(2,3)4/h5-14H,15-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C22H26ClN2.HO4S,,,,,,HGWJXALLBZWCQZ-UHFFFAOYSA-L,,,,,,,,,,,
100.063.027,269-351-7,68227-39-4,Disodium 6-amino-3-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-3-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].Cc3cc(N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O)c(cc3Cl)S([O-])(=O)=O,[Na+].[Na+].Cc3cc(N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C17H14ClN3O7S2.2Na/c1-8-4-13(14(7-12(8)18)29(23,24)25)20-21-16-15(30(26,27)28)5-9-2-3-10(19)6-11(9)17(16)22;;/h2-7,22H,19H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C17H14ClN3O7S2.2Na,,,,,,UWTWHBIPUFILGI-UHFFFAOYSA-L,,,,,,,,,,,
100.063.028,269-352-2,68227-40-7,Sodium 5-[(3-nitrophenyl)azo]-8-(phenylamino)naphthalenesulphonate,sodium 8-anilino-5-[(3-nitrophenyl)diazenyl]naphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c4cccc3c(N=Nc1cccc(c1)[N+]([O-])=O)ccc(Nc2ccccc2)c34,[Na+].[O-]S(=O)(=O)c4cccc3c(N=Nc1cccc(c1)[N+]([O-])=O)ccc(Nc2ccccc2)c34,"InChI=1/C22H16N4O5S.Na/c27-26(28)17-9-4-8-16(14-17)24-25-19-12-13-20(23-15-6-2-1-3-7-15)22-18(19)10-5-11-21(22)32(29,30)31;/h1-14,23H,(H,29,30,31);/q;+1/p-1",C22H16N4O5S.Na,,,,,,OYXIMNPMVHQQKE-UHFFFAOYSA-M,,,,,,,,,,,
100.063.047,269-373-7,68227-62-3,Sodium 5-[(4-ethoxyphenyl)azo]-8-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate,sodium 5-[(4-ethoxyphenyl)diazenyl]-8-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate,[Na+].COc4ccccc4N=Nc3ccc(N=Nc1ccc(OCC)cc1)c2ccc(cc23)S([O-])(=O)=O,[Na+].COc4ccccc4N=Nc3ccc(N=Nc1ccc(OCC)cc1)c2ccc(cc23)S([O-])(=O)=O,"InChI=1/C25H22N4O5S.Na/c1-3-34-18-10-8-17(9-11-18)26-27-22-14-15-23(28-29-24-6-4-5-7-25(24)33-2)21-16-19(35(30,31)32)12-13-20(21)22;/h4-16H,3H2,1-2H3,(H,30,31,32);/q;+1/p-1",C25H22N4O5S.Na,,,,,,KHYZUGMRUOPBDI-UHFFFAOYSA-M,,,,,,,,,,,
100.063.049,269-375-8,68227-64-5,Sodium 4-anilino-6-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-5-hydroxynaphthalene-1-sulphonate,sodium 4-anilino-6-[(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate,[Na+].Clc4cc(c(O)c(N=Nc3ccc2c(ccc(Nc1ccccc1)c2c3O)S([O-])(=O)=O)c4)[N+]([O-])=O,[Na+].Clc4cc(c(O)c(N=Nc3ccc2c(ccc(Nc1ccccc1)c2c3O)S([O-])(=O)=O)c4)[N+]([O-])=O,"InChI=1/C22H15ClN4O7S.Na/c23-12-10-17(21(28)18(11-12)27(30)31)26-25-16-7-6-14-19(35(32,33)34)9-8-15(20(14)22(16)29)24-13-4-2-1-3-5-13;/h1-11,24,28-29H,(H,32,33,34);/q;+1/p-1",C22H15ClN4O7S.Na,,,,,,OTVNMLPCLVECIS-UHFFFAOYSA-M,,,,,,,,,,,
100.063.051,269-377-9,68227-66-7,Disodium 1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]azo]-1H-pyrazole-3-carboxylate,disodium 1-(3-aminophenyl)-4-({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)-1H-pyrazole-3-carboxylate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2cn(nc2C([O-])=O)c3cc(N)ccc3)c(OC)c4,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2cn(nc2C([O-])=O)c3cc(N)ccc3)c(OC)c4,"InChI=1/C23H19N7O6S.2Na/c1-36-21-12-16(26-25-15-5-3-7-18(11-15)37(33,34)35)8-9-19(21)27-28-20-13-30(29-22(20)23(31)32)17-6-2-4-14(24)10-17;;/h2-13H,24H2,1H3,(H,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H19N7O6S.2Na,,,,,,VPCIVFYZUSQJPY-UHFFFAOYSA-L,,,,,,,,,,,
100.063.054,269-381-0,68227-69-0,Phenyl o-aminobenzenesulphonate,phenyl 2-aminobenzenesulfonate,Nc1ccccc1S(=O)(=O)Oc2ccccc2,Nc1ccccc1S(=O)(=O)Oc2ccccc2,"InChI=1/C12H11NO3S/c13-11-8-4-5-9-12(11)17(14,15)16-10-6-2-1-3-7-10/h1-9H,13H2",C12H11NO3S,,,,,,DELFPZLNAZAZRE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.910,283-531-2,84674-88-4,"4-[bis[4-(dimethylamino)phenyl]methyl]-3-hydroxynaphthalene-2,7-disulphonic acid","4-{bis[4-(dimethylamino)phenyl]methyl}-3-hydroxynaphthalene-2,7-disulfonic acid",CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3c(O)c(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3c(O)c(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C27H28N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16,25,30H,1-4H3,(H,31,32,33)(H,34,35,36)",C27H28N2O7S2,,,,,,CJJWIJSJELXUKG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.921,283-543-8,84681-83-4,3-propylhept-2-ene-1-nitrile,3-propylhept-2-enenitrile,CCCCC(CCC)=CC#N,CCCCC(CCC)=CC#N,"InChI=1/C10H17N/c1-3-5-7-10(6-4-2)8-9-11/h8H,3-7H2,1-2H3",C10H17N,,,,,,VXIGNRZQXAHCMN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.922,283-544-3,84681-84-5,"1,1-diethoxyundec-2-yne","1,1-diethoxyundec-2-yne",CCCCCCCCC#CC(OCC)OCC,CCCCCCCCC#CC(OCC)OCC,"InChI=1/C15H28O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h15H,4-12H2,1-3H3",C15H28O2,,,,,,GRXUBRIOJWCPQL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.925,283-548-5,84681-87-8,1-methyl-2-(2-methylpropoxy)-2-oxoethyl butyrate,2-isobutoxy-1-methyl-2-oxoethyl butyrate,CCCC(=O)OC(C)C(=O)OCC(C)C,CCCC(=O)OC(C)C(=O)OCC(C)C,"InChI=1/C11H20O4/c1-5-6-10(12)15-9(4)11(13)14-7-8(2)3/h8-9H,5-7H2,1-4H3",C11H20O4,,,,,,KOWHDISSCIEDSN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.927,283-550-6,84681-89-0,1-hexylallyl formate,1-vinylheptyl formate,CCCCCCC(OC=O)C=C,CCCCCCC(OC=O)C=C,"InChI=1/C10H18O2/c1-3-5-6-7-8-10(4-2)12-9-11/h4,9-10H,2-3,5-8H2,1H3",C10H18O2,,,,,,BNHJRSKWTCEYEL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.938,283-562-1,84682-02-0,Docosyl 12-hydroxyoctadecanoate,docosyl 12-hydroxyoctadecanoate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C40H80O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-34-38-43-40(42)37-33-29-26-23-22-25-28-32-36-39(41)35-31-8-6-4-2/h39,41H,3-38H2,1-2H3",C40H80O3,,,,,,FMFCOGKGIKFFSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.909,278-023-2,74918-83-5,4-chloro-N-hexadecyl-1-hydroxynaphthalene-2-carboxamide,4-chloro-N-hexadecyl-1-hydroxy-2-naphthamide,CCCCCCCCCCCCCCCCNC(=O)c1cc(Cl)c2ccccc2c1O,CCCCCCCCCCCCCCCCNC(=O)c1cc(Cl)c2ccccc2c1O,"InChI=1/C27H40ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-29-27(31)24-21-25(28)22-18-15-16-19-23(22)26(24)30/h15-16,18-19,21,30H,2-14,17,20H2,1H3,(H,29,31)",C27H40ClNO2,,,,,,BXJYXMAJSAZMOY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.914,278-029-5,74926-87-7,"2,6-bis(1-methylpropyl)-p-cresol","2,6-di-sec-butyl-4-methylphenol",CCC(C)c1cc(C)cc(C(C)CC)c1O,CCC(C)c1cc(C)cc(C(C)CC)c1O,"InChI=1/C15H24O/c1-6-11(4)13-8-10(3)9-14(15(13)16)12(5)7-2/h8-9,11-12,16H,6-7H2,1-5H3",C15H24O,,,,,,ZTCKSOLTLREDHC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.915,278-030-0,74929-43-4,"[(4-chlorophenyl)amino](2,6-dichlorophenyl)acetonitrile","[(4-chlorophenyl)amino](2,6-dichlorophenyl)acetonitrile",Clc1ccc(NC(C#N)c2c(Cl)cccc2Cl)cc1,Clc1ccc(NC(C#N)c2c(Cl)cccc2Cl)cc1,"InChI=1/C14H9Cl3N2/c15-9-4-6-10(7-5-9)19-13(8-18)14-11(16)2-1-3-12(14)17/h1-7,13,19H",C14H9Cl3N2,,,,,,RFPSOEJSBXVYIL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.926,278-042-6,74976-69-5,5-oxo-1-L-prolyl-L-proline,L-prolyl-5-oxo-L-proline,OC(=O)[C@@H]1CCC(=O)N1C(=O)[C@@H]2CCCN2,OC(=O)[C@@H]1CCC(=O)N1C(=O)[C@@H]2CCCN2,"InChI=1/C10H14N2O4/c13-8-4-3-7(10(15)16)12(8)9(14)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,15,16)",C10H14N2O4,,,,,,RSZZIJPHQIDLTR-BQBZGAKWSA-N,,,,,,,,,,,
100.070.936,278-053-6,75006-54-1,"13-octyl-1,4,7,10-tetraoxa-13-azacyclopentadecane","13-octyl-1,4,7,10-tetraoxa-13-azacyclopentadecane",CCCCCCCCN1CCOCCOCCOCCOCC1,CCCCCCCCN1CCOCCOCCOCCOCC1,"InChI=1/C18H37NO4/c1-2-3-4-5-6-7-8-19-9-11-20-13-15-22-17-18-23-16-14-21-12-10-19/h2-18H2,1H3",C18H37NO4,,,,,,KMPVQUCVSURRIT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.937,278-054-1,75006-55-2,"13-decyl-1,4,7,10-tetraoxa-13-azacyclopentadecane","13-decyl-1,4,7,10-tetraoxa-13-azacyclopentadecane",CCCCCCCCCCN1CCOCCOCCOCCOCC1,CCCCCCCCCCN1CCOCCOCCOCCOCC1,"InChI=1/C20H41NO4/c1-2-3-4-5-6-7-8-9-10-21-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h2-20H2,1H3",C20H41NO4,,,,,,OQYMCCVEJUOMCX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.942,278-059-9,75032-91-6,Sodium 3-[(4-hydroxy-2-butynyl)oxy]propanesulphonate,sodium 3-[(4-hydroxybut-2-yn-1-yl)oxy]propane-1-sulfonate,[Na+].OCC#CCOCCCS(=O)(=O)[O-],[Na+].OCC#CCOCCCS(=O)(=O)[O-],"InChI=1/C7H12O5S.Na/c8-4-1-2-5-12-6-3-7-13(9,10)11;/h8H,3-7H2,(H,9,10,11);/q;+1/p-1",C7H12O5S.Na,,,,,,IGRGEBBXERSCPC-UHFFFAOYSA-M,,,,,,,,,,,
100.070.951,278-069-3,75113-47-2,6-[(2-ethyl-1-oxohexyl)amino]hexanoic acid,6-[(2-ethylhexanoyl)amino]hexanoic acid,CCCCC(CC)C(=O)NCCCCCC(=O)O,CCCCC(CC)C(=O)NCCCCCC(=O)O,"InChI=1/C14H27NO3/c1-3-5-9-12(4-2)14(18)15-11-8-6-7-10-13(16)17/h12H,3-11H2,1-2H3,(H,15,18)(H,16,17)",C14H27NO3,,,,,,GRPDJDFTHPKLAT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.958,278-077-7,75128-73-3,"2-[(2-acetamido-6,9-dihydro-6-oxo-1H-purin-9-yl]methoxy]ethyl acetate","2-[(2-acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl acetate",CC(=O)NC1=Nc2c(ncn2COCCOC(=O)C)C(=O)N1,CC(=O)NC1=Nc2c(ncn2COCCOC(=O)C)C(=O)N1,"InChI=1/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)",C12H15N5O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5709,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.958,VBHLKZHSCMQLTI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.780,280-081-9,82980-50-5,4-methylpiperazine-1-propanol dihydrochloride,3-(4-methylpiperazin-1-yl)propan-1-ol dihydrochloride,Cl.Cl.CN1CCN(CCCO)CC1,Cl.Cl.CN1CCN(CCCO)CC1,"InChI=1/C8H18N2O.2ClH/c1-9-4-6-10(7-5-9)3-2-8-11;;/h11H,2-8H2,1H3;2*1H",C8H18N2O.2ClH,,,,,,IIXZEUJZLXHPLB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.791,280-093-4,83006-44-4,"2,7-Naphthalenedisulfonic acid, 4-[[4-[[[[5-hydroxy-6-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-5-[(phenylsulfonyl)oxy]-, sodium salt",sodium 4-{[4-({[5-hydroxy-6-({4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazenyl)-7-sulfo-2-naphthyl]carbamoyl}amino)-5-methoxy-2-methylphenyl]diazenyl}-5-[(phenylsulfonyl)oxy]-7-sulfonaphthalene-2-sulfonate,[Na+].[O-][N+](=O)c8ccc(Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4cc(C)c(cc4OC)N=Nc7cc(cc6cc(cc(OS(=O)(=O)c5ccccc5)c67)S(O)(=O)=O)S([O-])(=O)=O)S(O)(=O)=O)c(c8)S(O)(=O)=O,[Na+].[O-][N+](=O)c8ccc(Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4cc(C)c(cc4OC)N=Nc7cc(cc6cc(cc(OS(=O)(=O)c5ccccc5)c67)S(O)(=O)=O)S([O-])(=O)=O)S(O)(=O)=O)c(c8)S(O)(=O)=O,"InChI=1/C47H36N8O20S5.Na/c1-25-16-38(40(74-2)24-37(25)52-53-39-22-33(76(60,61)62)18-27-19-34(77(63,64)65)23-41(44(27)39)75-80(72,73)32-6-4-3-5-7-32)50-47(57)49-30-12-14-35-26(17-30)20-43(79(69,70)71)45(46(35)56)54-51-29-10-8-28(9-11-29)48-36-15-13-31(55(58)59)21-42(36)78(66,67)68;/h3-24,48,56H,1-2H3,(H2,49,50,57)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71);/q;+1/p-1",C47H36N8O20S5.xNa,,,,,,IBYDTEAMAIXXBP-UHFFFAOYSA-M,,,,,,,,,,,
100.074.053,281-484-2,83950-33-8,"[4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-[4-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}[4-(dimethylamino)phenyl]methylene)cyclohexa-2,5-dien-1-ylidene]-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(CCO)CCO,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(CCO)CCO,"InChI=1/C28H36N3O2.ClH/c1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5;/h6-15,20,32-33H,16-19H2,1-5H3;1H/q+1;/p-1",C28H36N3O2.Cl,,,,,,NZLQKXXAWCYRFF-UHFFFAOYSA-M,,,,,,,,,,,
100.074.054,281-485-8,83950-35-0,"[4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate","N-[4-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}[4-(dimethylamino)phenyl]methylene)cyclohexa-2,5-dien-1-ylidene]-N-methylmethanaminium acetate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(CCO)CCO.CC(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(CCO)CCO.CC(=O)[O-],"InChI=1/C28H36N3O2.C2H4O2/c1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5;1-2(3)4/h6-15,20,32-33H,16-19H2,1-5H3;1H3,(H,3,4)/q+1;/p-1",C28H36N3O2.C2H3O2,,,,,,YKHPYMGGFITCAA-UHFFFAOYSA-M,,,,,,,,,,,
100.074.057,281-488-4,83962-20-3,Butyl ethyldithiocarbamate,butyl ethyldithiocarbamate,CCCCSC(=S)NCC,CCCCSC(=S)NCC,"InChI=1/C7H15NS2/c1-3-5-6-10-7(9)8-4-2/h3-6H2,1-2H3,(H,8,9)",C7H15NS2,,,,,,YSMHAOJOUCBJNV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.947,283-572-6,84682-11-1,"6-(sec-butyl)-1,2,3,4-tetrahydroquinoline","6-sec-butyl-1,2,3,4-tetrahydroquinoline",CCC(C)c1ccc2NCCCc2c1,CCC(C)c1ccc2NCCCc2c1,"InChI=1/C13H19N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h6-7,9-10,14H,3-5,8H2,1-2H3",C13H19N,,,,,,SGEUVWGCLKXHFC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.949,283-574-7,84682-13-3,"3-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)-2-butenal","3-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)but-2-enal",CC2(C)C1\\C=C/C(C1)C2C(C)=CC=O,CC2(C)C1\C=C/C(C1)C2C(C)=CC=O,"InChI=1/C13H18O/c1-9(6-7-14)12-10-4-5-11(8-10)13(12,2)3/h4-7,10-12H,8H2,1-3H3",C13H18O,,,,,,QCXOQARCPZNLPI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.950,283-575-2,84682-14-4,8-butylquinoline,8-butylquinoline,CCCCc1cccc2cccnc12,CCCCc1cccc2cccnc12,"InChI=1/C13H15N/c1-2-3-6-11-7-4-8-12-9-5-10-14-13(11)12/h4-5,7-10H,2-3,6H2,1H3",C13H15N,,,,,,YDSONSCALKQCLG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.953,283-578-9,84682-17-7,Ethyl a-allylcyclopent-2-ene-1-acetate,ethyl 2-cyclopent-2-en-1-ylpent-4-enoate,CCOC(=O)C(CC=C)C1CCC=C1,CCOC(=O)C(CC=C)C1CCC=C1,"InChI=1/C12H18O2/c1-3-7-11(12(13)14-4-2)10-8-5-6-9-10/h3,5,8,10-11H,1,4,6-7,9H2,2H3",C12H18O2,,,,,,LLGQUDIFQHRDGK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.956,283-582-0,84682-20-2,(E)-hex-3-enyl isobutyrate,hex-3-en-1-yl 2-methylpropanoate,CC\\C=C\\CCOC(=O)C(C)C,CC\C=C\CCOC(=O)C(C)C,"InChI=1/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3",C10H18O2,,,,,,OSMAJVWUIUORGC-AATRIKPKSA-N,,,,,,,,,,,
100.075.963,283-589-9,84682-27-9,1-(4-methylphenyl)cyclohexanecarboxylic acid,1-(4-methylphenyl)cyclohexanecarboxylic acid,Cc1ccc(cc1)C2(CCCCC2)C(=O)O,Cc1ccc(cc1)C2(CCCCC2)C(=O)O,"InChI=1/C14H18O2/c1-11-5-7-12(8-6-11)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)",C14H18O2,,,,,,BEVYUARQHKRBMH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.966,283-593-0,84682-30-4,3-chloro-2-(chloromethyl)cinnamaldehyde,3-[3-chloro-2-(chloromethyl)phenyl]acrylaldehyde,ClCc1c(Cl)cccc1\\C=C\\C=O,ClCc1c(Cl)cccc1\C=C\C=O,"InChI=1/C10H8Cl2O/c11-7-9-8(4-2-6-13)3-1-5-10(9)12/h1-6H,7H2",C10H8Cl2O,,,,,,OEZPPHLWIPFGIL-DUXPYHPUSA-N,,,,,,,,,,,
100.075.967,283-594-6,84682-31-5,1-hydroxy-9H-thioxanthen-9-one,1-hydroxy-9H-thioxanthen-9-one,Oc1cccc2Sc3ccccc3C(=O)c12,Oc1cccc2Sc3ccccc3C(=O)c12,"InChI=1/C13H8O2S/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,14H",C13H8O2S,,,,,,OEZKDMYTQDZSAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.968,283-595-1,84682-32-6,1-methoxy-9H-thioxanthen-9-one,1-methoxy-9H-thioxanthen-9-one,COc1cccc2Sc3ccccc3C(=O)c12,COc1cccc2Sc3ccccc3C(=O)c12,"InChI=1/C14H10O2S/c1-16-10-6-4-8-12-13(10)14(15)9-5-2-3-7-11(9)17-12/h2-8H,1H3",C14H10O2S,,,,,,GDVXCEXUGSELGD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.969,283-596-7,84682-33-7,"N-(4,4'-dinitro[1,1'-biphenyl]-2-yl)benzamide","N-(4,4'-dinitrobiphenyl-2-yl)benzamide",[O-][N+](=O)c1ccc(cc1)c2ccc(cc2NC(=O)c3ccccc3)[N+](=O)[O-],[O-][N+](=O)c1ccc(cc1)c2ccc(cc2NC(=O)c3ccccc3)[N+](=O)[O-],"InChI=1/C19H13N3O5/c23-19(14-4-2-1-3-5-14)20-18-12-16(22(26)27)10-11-17(18)13-6-8-15(9-7-13)21(24)25/h1-12H,(H,20,23)",C19H13N3O5,,,,,,SXHSXUJZDOVNJP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.975,283-602-8,84682-39-3,"4,4'-(hexa-2,4-diene-1,6-diyl)bismorpholine","4,4'-hexa-2,4-diene-1,6-diyldimorpholine",C(=CCN1CCOCC1)C=CCN2CCOCC2,C(=CCN1CCOCC1)C=CCN2CCOCC2,"InChI=1/C14H24N2O2/c1(3-5-15-7-11-17-12-8-15)2-4-6-16-9-13-18-14-10-16/h1-4H,5-14H2",C14H24N2O2,,,,,,YWTMUEXSRPGWIK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.149,281-589-3,83969-12-4,"5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate","5-(diisopropylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium methyl sulfate",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]S(=O)(=O)OC,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]S(=O)(=O)OC,"InChI=1/C17H27N6S.CH4O4S/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-5-6(2,3)4/h8-13H,1-7H3;1H3,(H,2,3,4)/q+1;/p-1",C17H27N6S.CH3O4S,,,,,,MLTFWXODZCFGQN-UHFFFAOYSA-M,,,,,,,,,,,
100.074.154,281-595-6,83969-17-9,"Bis[[2-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium] sulphate","bis{2-[{4-[(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium} sulfate",Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2c(Br)cc(cc2Br)[N+]([O-])=O,Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2c(Br)cc(cc2Br)[N+]([O-])=O,"InChI=1/2C19H24Br2N5O2.H2O4S/c2*1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5(2,3)4/h2*6-9,12-13H,5,10-11H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C19H24Br2N5O2.1/2O4S,,,,,,YWUPBEPVRFECQB-UHFFFAOYSA-L,,,,,,,,,,,
100.074.155,281-596-1,83969-19-1,"2-[(4-amino-2-chlorophenyl)azo]-1,3-dimethyl-1H-imidazolium methyl sulphate","2-[(4-amino-2-chlorophenyl)diazenyl]-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium methyl sulfate",CN2/C=C\\[NH+](C)C2N=Nc1ccc(N)cc1Cl.[O-]S(=O)(=O)OC,CN2/C=C\[NH+](C)C2N=Nc1ccc(N)cc1Cl.[O-]S(=O)(=O)OC,"InChI=1/C11H14ClN5.CH4O4S/c1-16-5-6-17(2)11(16)15-14-10-4-3-8(13)7-9(10)12;1-5-6(2,3)4/h3-7,11H,13H2,1-2H3;1H3,(H,2,3,4)",C11H13ClN5.CH3O4S,,,,,,SBBPMLZRZZCUCL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.157,281-598-2,83969-22-6,"2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-[1-(2-chlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium hydrogen sulfate",CC1CC(=NN1c2ccccc2Cl)C3=[N+](C)c4ccccc4C3(C)C.[O-]S(=O)(=O)[O-],CC1CC(=NN1c2ccccc2Cl)C3=[N+](C)c4ccccc4C3(C)C.[O-]S(=O)(=O)[O-],"InChI=1/C21H23ClN3.H2O4S/c1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-5(2,3)4/h5-12,14H,13H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C21H23ClN3.HO4S,,,,,,LAKBXIXZNUDTOL-UHFFFAOYSA-L,,,,,,,,,,,
100.074.158,281-599-8,83969-23-7,"2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium acetate","2-[1-(2-chlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium acetate",CC1CC(=NN1c2ccccc2Cl)C3=[N+](C)c4ccccc4C3(C)C.CC(=O)[O-],CC1CC(=NN1c2ccccc2Cl)C3=[N+](C)c4ccccc4C3(C)C.CC(=O)[O-],"InChI=1/C21H23ClN3.C2H4O2/c1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C21H23ClN3.C2H3O2,,,,,,WWRSZAFXMLAGAV-UHFFFAOYSA-M,,,,,,,,,,,
100.074.159,281-600-1,83969-24-8,"5-[(2-methoxyphenyl)azo]toluene-2,4-diamine hydrochloride","4-[(2-methoxyphenyl)diazenyl]-6-methylbenzene-1,3-diamine hydrochloride",Cl.COc2ccccc2N=Nc1cc(C)c(N)cc1N,Cl.COc2ccccc2N=Nc1cc(C)c(N)cc1N,"InChI=1/C14H16N4O.ClH/c1-9-7-13(11(16)8-10(9)15)18-17-12-5-3-4-6-14(12)19-2;/h3-8H,15-16H2,1-2H3;1H",C14H16N4O.xClH,,,,,,DYUITDRPXBTQHL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.167,281-609-0,83984-86-5,"3ß,17-dihydroxypregn-5-en-20-one 17-acetate 3-formate",3-(formyloxy)-20-oxopregn-5-en-17-yl acetate,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC=O)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC=O)C(=O)C,"InChI=1/C24H34O5/c1-15(26)24(29-16(2)27)12-9-21-19-6-5-17-13-18(28-14-25)7-10-22(17,3)20(19)8-11-23(21,24)4/h5,14,18-21H,6-13H2,1-4H3",C24H34O5,,,,,,MPCDURSOWQINER-IWMXCVPLSA-N,,,,,,,,,,,
100.074.176,281-619-5,84000-63-5,"Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate","disodium 2-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-4-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate",[Na+].[Na+].O=C4/C(=C(/C)\\C(\\N=Nc3cc(Nc2nc(Nc1cccc(c1)S(=O)(=O)CCOS([O-])(=O)=O)nc(Cl)n2)ccc3S([O-])(=O)=O)=C(\\O)N4CC)C(N)=O,[Na+].[Na+].O=C4/C(=C(/C)\C(\N=Nc3cc(Nc2nc(Nc1cccc(c1)S(=O)(=O)CCOS([O-])(=O)=O)nc(Cl)n2)ccc3S([O-])(=O)=O)=C(\O)N4CC)C(N)=O,"InChI=1/C26H26ClN9O12S3.2Na/c1-3-36-22(38)19(21(28)37)13(2)20(23(36)39)35-34-17-12-15(7-8-18(17)50(42,43)44)30-26-32-24(27)31-25(33-26)29-14-5-4-6-16(11-14)49(40,41)10-9-48-51(45,46)47;;/h4-8,11-12,39H,3,9-10H2,1-2H3,(H2,28,37)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;/q;2*+1/p-2",C26H26ClN9O12S3.2Na,,,,,,JQVMYBSCZRPGFN-UHFFFAOYSA-L,,,,,,,,,,,
100.074.179,281-622-1,84000-66-8,"6-[(5-cyanoisothiazolo[3,4-b]pyridin-3-yl)azo]-3,4-dihydro-2,2,4,7-tetramethyl-2H-quinoline-1-propiononitrile","3-{[1-(2-cyanoethyl)-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl]diazenyl}isothiazolo[3,4-b]pyridine-5-carbonitrile",CC1CC(C)(C)N(CCC#N)c2cc(C)c(cc12)N=Nc3snc4ncc(cc34)C#N,CC1CC(C)(C)N(CCC#N)c2cc(C)c(cc12)N=Nc3snc4ncc(cc34)C#N,"InChI=1/C23H23N7S/c1-14-8-20-17(15(2)11-23(3,4)30(20)7-5-6-24)10-19(14)27-28-22-18-9-16(12-25)13-26-21(18)29-31-22/h8-10,13,15H,5,7,11H2,1-4H3",C23H23N7S,,,,,,XNSSERKYNNFROD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.941,283-565-8,84682-05-3,"4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis(benzenesulphonic) acid","4,4'-{(3,3'-dimethoxybiphenyl-4,4'-diyl)bis[diazene-2,1-diyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}dibenzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2OC)c5ccc(N=NC4C(\\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)c(OC)c5)C6=O,OS(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2OC)c5ccc(N=NC4C(\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)c(OC)c5)C6=O,"InChI=1/C34H30N8O10S2/c1-19-31(33(43)41(39-19)23-7-11-25(12-8-23)53(45,46)47)37-35-27-15-5-21(17-29(27)51-3)22-6-16-28(30(18-22)52-4)36-38-32-20(2)40-42(34(32)44)24-9-13-26(14-10-24)54(48,49)50/h5-18,31-32H,1-4H3,(H,45,46,47)(H,48,49,50)",C34H30N8O10S2,,,,,,XRJUVYVTHVSJCO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.943,283-567-9,84682-07-5,"4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-2,2'-disulfonic acid",OS(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S(O)(=O)=O)c3ccc(cc3S(O)(=O)=O)N=NC5C(\\C)=N/N(c4ccc(cc4)S(O)(=O)=O)C5=O)C6=O,OS(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S(O)(=O)=O)c3ccc(cc3S(O)(=O)=O)N=NC5C(\C)=N/N(c4ccc(cc4)S(O)(=O)=O)C5=O)C6=O,"InChI=1/C32H26N8O14S4/c1-17-29(31(41)39(37-17)21-5-9-23(10-6-21)55(43,44)45)35-33-19-3-13-25(27(15-19)57(49,50)51)26-14-4-20(16-28(26)58(52,53)54)34-36-30-18(2)38-40(32(30)42)22-7-11-24(12-8-22)56(46,47)48/h3-16,29-30H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)",C32H26N8O14S4,,,,,,OLVWUHJTNDWHFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.272,277-322-5,73227-22-2,Praseodymium tri(2-ethylhexanoate),praseodymium tris(2-ethylhexanoate),[Pr+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Pr+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/3C8H16O2.Pr/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Pr,,,,,,LJLKMNSTMFZSEO-UHFFFAOYSA-K,,,,,,,,,,,
100.070.277,277-327-2,73246-98-7,"Formic acid, chromium(3+) salt, basic",-,[Cr+3].[O-]C=O,[Cr+3].[O-]C=O,"InChI=1/CH2O2.Cr/c2-1-3;/h1H,(H,2,3);/q;+3/p-1",-,,,,,,LHVSDOOKRQXYRF-UHFFFAOYSA-M,,,,,,,,,,,
100.070.278,277-328-8,73250-68-7,2-(benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide,"2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide",CN(C(=O)COc1nc2ccccc2s1)c3ccccc3,CN(C(=O)COc1nc2ccccc2s1)c3ccccc3,"InChI=1/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3",C16H14N2O2S,,,,,,XIGAUIHYSDTJHW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.297,277-349-2,73287-50-0,"Formic acid, compound with 3-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-N-[2-(dimethylamino)ethyl]propionamide (1:1)","formic acid - 3-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)-N-[2-(dimethylamino)ethyl]propanamide (1:1)",CN(C)CCNC(=O)CCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O,CN(C)CCNC(=O)CCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O,"InChI=1/C22H27ClN4O3S.CH2O2/c1-26(2)15-13-24-22(28)12-16-31(29,30)20-9-7-19(8-10-20)27-14-11-21(25-27)17-3-5-18(23)6-4-17;2-1-3/h3-10H,11-16H2,1-2H3,(H,24,28);1H,(H,2,3)",C22H27ClN4O3S.CH2O2,,,,,,QRFVBXOPHHOXDH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.300,277-352-9,73287-53-3,"6-[(1-oxoallyl)oxy]hexyl N,N-diethyl-ß-alaninate","6-(acryloyloxy)hexyl N,N-diethyl-beta-alaninate",CCN(CC)CCC(=O)OCCCCCCOC(=O)C=C,CCN(CC)CCC(=O)OCCCCCCOC(=O)C=C,"InChI=1/C16H29NO4/c1-4-15(18)20-13-9-7-8-10-14-21-16(19)11-12-17(5-2)6-3/h4H,1,5-14H2,2-3H3",C16H29NO4,,,,,,JRCVXCVXDRUUNK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.302,277-355-5,73287-55-5,"2-(4-bromo-3-hydroxy-2-quinolyl)-N,N-diethyl-2,3-dihydro-1,3-dioxo-1H-indene-5-carboxamide","2-(4-bromo-3-hydroxyquinolin-2-yl)-N,N-diethyl-1,3-dioxoindane-5-carboxamide",CCN(CC)C(=O)c1ccc2C(=O)C(C(=O)c2c1)c3nc4ccccc4c(Br)c3O,CCN(CC)C(=O)c1ccc2C(=O)C(C(=O)c2c1)c3nc4ccccc4c(Br)c3O,"InChI=1/C23H19BrN2O4/c1-3-26(4-2)23(30)12-9-10-13-15(11-12)21(28)17(20(13)27)19-22(29)18(24)14-7-5-6-8-16(14)25-19/h5-11,17,29H,3-4H2,1-2H3",C23H19BrN2O4,,,,,,BUFKXMCKNWZUMN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.303,277-356-0,73287-56-6,"Trisodium 5-amino-3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-amino-3-({4'-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(N)ccc4c5O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(N)ccc4c5O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H28N6O13S3.3Na/c1-52-26-11-16(3-7-24(26)37-39-31-28(55(46,47)48)13-18-9-20(35)5-6-22(18)33(31)41)17-4-8-25(27(12-17)53-2)38-40-32-29(56(49,50)51)14-19-10-21(54(43,44)45)15-23(36)30(19)34(32)42;;;/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3",C34H28N6O13S3.3Na,,,,,,DURNEGVWCIRANQ-UHFFFAOYSA-K,,,,,,,,,,,
100.063.065,269-393-6,68227-97-4,4-[methyl[(pentadecafluoroheptyl)sulphonyl]amino]butyl acrylate,4-{methyl[(pentadecafluoroheptyl)sulfonyl]amino}butyl acrylate,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H14F15NO4S/c1-3-8(32)35-7-5-4-6-31(2)36(33,34)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h3H,1,4-7H2,2H3",C15H14F15NO4S,,,,,,XOBAFFLCNWEIRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.793,280-096-0,83006-46-6,"Tetrasodium 3,3'-[carbonylbis[imino[2-[(hydroxyacetyl)amino]-4,1-phenylene]azo]]bisnaphthalene-1,5-disulphonate","tetrasodium 3-({4-[({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-3-(glycoloylamino)phenyl}carbamoyl)amino]-2-(glycoloylamino)phenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cccc1c6cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2NC(=O)CO)NC(=O)Nc5ccc(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)NC(=O)CO,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cccc1c6cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2NC(=O)CO)NC(=O)Nc5ccc(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)NC(=O)CO,"InChI=1/C37H30N8O17S4.4Na/c46-17-35(48)40-29-13-19(7-9-27(29)44-42-21-11-25-23(33(15-21)65(57,58)59)3-1-5-31(25)63(51,52)53)38-37(50)39-20-8-10-28(30(14-20)41-36(49)18-47)45-43-22-12-26-24(34(16-22)66(60,61)62)4-2-6-32(26)64(54,55)56;;;;/h1-16,46-47H,17-18H2,(H,40,48)(H,41,49)(H2,38,39,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C37H30N8O17S4.4Na,,,,,,AXLGNKWNJHISTH-UHFFFAOYSA-J,,,,,,,,,,,
100.072.803,280-106-3,83006-57-9,Ammonium m-[(4-amino-1-naphthyl)azo]benzenesulphonate,ammonium 3-[(4-amino-1-naphthyl)diazenyl]benzenesulfonate,[NH4+].[O-]S(=O)(=O)c3cccc(N=Nc1ccc(N)c2ccccc12)c3,[NH4+].[O-]S(=O)(=O)c3cccc(N=Nc1ccc(N)c2ccccc12)c3,"InChI=1/C16H13N3O3S.H3N/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22;/h1-10H,17H2,(H,20,21,22);1H3",C16H13N3O3S.H3N,,,,,,WYRXKKLOIZVPTI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.805,280-108-4,83006-59-1,Ammonium 5-(1-naphthylazo)-8-(phenylamino)naphthalenesulphonate,ammonium 8-anilino-5-(1-naphthyldiazenyl)naphthalene-1-sulfonate,[NH4+].[O-]S(=O)(=O)c5cccc3c5c(ccc3N=Nc2cccc1ccccc12)Nc4ccccc4,[NH4+].[O-]S(=O)(=O)c5cccc3c5c(ccc3N=Nc2cccc1ccccc12)Nc4ccccc4,"InChI=1/C26H19N3O3S.H3N/c30-33(31,32)25-15-7-13-21-23(16-17-24(26(21)25)27-19-10-2-1-3-11-19)29-28-22-14-6-9-18-8-4-5-12-20(18)22;/h1-17,27H,(H,30,31,32);1H3",C26H19N3O3S.H3N,,,,,,GJQRDENWLGOROV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.806,280-110-5,83006-60-4,Sodium 3-[(1-hydroxy-2-naphthyl)azo]benzenesulphonate,sodium 3-[(1-hydroxy-2-naphthyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc3ccc2ccccc2c3O,[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc3ccc2ccccc2c3O,"InChI=1/C16H12N2O4S.Na/c19-16-14-7-2-1-4-11(14)8-9-15(16)18-17-12-5-3-6-13(10-12)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1",C16H12N2O4S.Na,,,,,,USXNMGSHYGNZFB-UHFFFAOYSA-M,,,,,,,,,,,
100.070.172,277-212-7,73003-90-4,"3a,4,5,7a-tetrahydro-7-methyl-5-(tetrahydro-2,5-dioxofuran-3-yl)isobenzofuran-1,3-dione","5-(2,5-dioxotetrahydrofuran-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione",CC1=CC(CC2C1C(=O)OC2=O)C3CC(=O)OC3=O,CC1=CC(CC2C1C(=O)OC2=O)C3CC(=O)OC3=O,"InChI=1/C13H12O6/c1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16/h2,6-8,10H,3-4H2,1H3",C13H12O6,,,,,,DGQOZCNCJKEVOA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.194,277-236-8,73019-21-3,1-[3-methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]ethan-1-one,1-[3-methyl-2-(3-methylbut-2-en-1-yl)cyclohex-3-en-1-yl]ethanone,CC(=CCC1C(CCC=C1C)C(=O)C)C,CC(=CCC1C(CCC=C1C)C(=O)C)C,"InChI=1/C14H22O/c1-10(2)8-9-13-11(3)6-5-7-14(13)12(4)15/h6,8,13-14H,5,7,9H2,1-4H3",C14H22O,,,,,,ZHYAKXDSFODDQC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.196,277-238-9,73019-24-6,N-[5-[(3-chloroallyl)(2-cyanoethyl)amino]-2-[(4-cyano-3-methylisothiazol-5-yl)azo]phenyl]acetamide,N-{5-[(3-chloroprop-2-en-1-yl)(2-cyanoethyl)amino]-2-[(4-cyano-3-methylisothiazol-5-yl)diazenyl]phenyl}acetamide,N#Cc2c(N=Nc1ccc(cc1NC(C)=O)N(C\\C=C\\Cl)CCC#N)snc2C,N#Cc2c(N=Nc1ccc(cc1NC(C)=O)N(C\C=C\Cl)CCC#N)snc2C,"InChI=1/C19H18ClN7OS/c1-13-16(12-22)19(29-26-13)25-24-17-6-5-15(11-18(17)23-14(2)28)27(9-3-7-20)10-4-8-21/h3,5-7,11H,4,9-10H2,1-2H3,(H,23,28)",C19H18ClN7OS,,,,,,UBXBMURPXHEFSZ-GEMAAQNMSA-N,,,,,,,,,,,
100.070.197,277-239-4,73022-42-1,(Z)-4-decenedial,dec-4-enedial,O=CCCCC\\C=C/CCC=O,O=CCCCC\C=C/CCC=O,"InChI=1/C10H16O2/c11-9-7-5-3-1-2-4-6-8-10-12/h1,3,9-10H,2,4-8H2",C10H16O2,,,,,,SLTFGUKJPFZNHR-IWQZZHSRSA-N,,,,,,,,,,,
100.052.304,257-553-8,51959-86-5,"N,N-dibutyl-5-oxopyrrolidine-2-carboxamide","N,N-dibutyl-5-oxoprolinamide",CCCCN(CCCC)C(=O)C1CCC(=O)N1,CCCCN(CCCC)C(=O)C1CCC(=O)N1,"InChI=1/C13H24N2O2/c1-3-5-9-15(10-6-4-2)13(17)11-7-8-12(16)14-11/h11H,3-10H2,1-2H3,(H,14,16)",C13H24N2O2,,,,,,NDGMGZDZOXTYQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.305,257-554-3,51959-87-6,"N,N-dihexyl-5-oxopyrrolidine-2-carboxamide","N,N-dihexyl-5-oxoprolinamide",CCCCCCN(CCCCCC)C(=O)C1CCC(=O)N1,CCCCCCN(CCCCCC)C(=O)C1CCC(=O)N1,"InChI=1/C17H32N2O2/c1-3-5-7-9-13-19(14-10-8-6-4-2)17(21)15-11-12-16(20)18-15/h15H,3-14H2,1-2H3,(H,18,20)",C17H32N2O2,,,,,,OVTOJTYOERMOBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.311,257-561-1,51961-06-9,2-(dimethylamino)ethyl acrylate hydrochloride,2-(dimethylamino)ethyl acrylate hydrochloride,Cl.CN(C)CCOC(=O)C=C,Cl.CN(C)CCOC(=O)C=C,"InChI=1/C7H13NO2.ClH/c1-4-7(9)10-6-5-8(2)3;/h4H,1,5-6H2,2-3H3;1H",C7H13NO2.ClH,,,,,,SSZXAJUPVKMUJH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.316,257-566-9,51976-94-4,N-cyclohexyl-N-[[(dimethylamino)thioxomethyl]thio]cyclohexylamine,N-cyclohexyl-N-[(dimethylcarbamothioyl)sulfanyl]cyclohexanamine,CN(C)C(=S)SN(C1CCCCC1)C2CCCCC2,CN(C)C(=S)SN(C1CCCCC1)C2CCCCC2,"InChI=1/C15H28N2S2/c1-16(2)15(18)19-17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3",C15H28N2S2,,,,,,NOMIJAKZQLPTDV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.318,257-569-5,51978-15-5,[2-[(2-methyl-1-oxoallyl)oxy]ethyl] hydrogen maleate,4-[2-(methacryloyloxy)ethoxy]-4-oxobut-2-enoic acid,CC(=C)C(=O)OCCOC(=O)\\C=C/C(=O)O,CC(=C)C(=O)OCCOC(=O)\C=C/C(=O)O,"InChI=1/C10H12O6/c1-7(2)10(14)16-6-5-15-9(13)4-3-8(11)12/h3-4H,1,5-6H2,2H3,(H,11,12)",C10H12O6,,,,,,HSFXEOPJXMFQHG-ARJAWSKDSA-N,,,,,,,,,,,
100.070.306,277-359-7,73287-63-5,"Sodium 2,5-dichloro-4-[[5-cyano-2,6-bis[(2-hydroxyethyl)amino]-4-methyl-3-pyridyl]azo]benzenesulphonate","sodium 2,5-dichloro-4-({5-cyano-2,6-bis[(2-hydroxyethyl)amino]-4-methylpyridin-3-yl}diazenyl)benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c(C)c(C#N)c(NCCO)nc2NCCO,[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c(C)c(C#N)c(NCCO)nc2NCCO,"InChI=1/C17H18Cl2N6O5S.Na/c1-9-10(8-20)16(21-2-4-26)23-17(22-3-5-27)15(9)25-24-13-6-12(19)14(7-11(13)18)31(28,29)30;/h6-7,26-27H,2-5H2,1H3,(H2,21,22,23)(H,28,29,30);/q;+1/p-1",C17H18Cl2N6O5S.Na,,,,,,MGTRKZUVMFKZRD-UHFFFAOYSA-M,,,,,,,,,,,
100.070.322,277-377-5,73309-50-9,"4-[[3-(acetylamino)-4-methylphenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","4-[(3-acetamido-4-methylphenyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CC(=O)Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)ccc1C,CC(=O)Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)ccc1C,"InChI=1/C23H19N3O6S/c1-11-7-8-13(9-16(11)25-12(2)27)26-17-10-18(33(30,31)32)21(24)20-19(17)22(28)14-5-3-4-6-15(14)23(20)29/h3-10,26H,24H2,1-2H3,(H,25,27)(H,30,31,32)",C23H19N3O6S,,,,,,VZGFNDJGSOQWRP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.335,277-391-1,73346-74-4,"D-(-)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol","(2,2-dimethyl-1,3-dioxolane-4,5-diyl)dimethanol",CC1(C)OC(CO)C(CO)O1,CC1(C)OC(CO)C(CO)O1,"InChI=1/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3",C7H14O4,,,,,,INVRLGIKFANLFP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.336,277-392-7,73347-77-0,5-ethylidenebicyclo[2.2.1]hept-2-yl propionate,5-ethylidenebicyclo[2.2.1]hept-2-yl propionate,CCC(=O)OC2CC1CC2CC1=CC,CCC(=O)OC2CC1CC2CC1=CC,"InChI=1/C12H18O2/c1-3-8-5-10-6-9(8)7-11(10)14-12(13)4-2/h3,9-11H,4-7H2,1-2H3",C12H18O2,,,,,,QSWOAKOMZJLMTM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.125,269-458-9,68239-65-6,"2-[3-[1-[2-acetoxy-3-sulphonatopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium","2-acetoxy-3-{5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-2,3-dihydro-1H-benzimidazol-1-yl}propane-1-sulfonate",[O-]S(=O)(=O)CC(OC(C)=O)CN3c4cc(Cl)c(Cl)cc4N(CC)C3=CC=Cc2oc1ccccc1[n+]2CC,[O-]S(=O)(=O)CC(OC(C)=O)CN3c4cc(Cl)c(Cl)cc4N(CC)C3=CC=Cc2oc1ccccc1[n+]2CC,"InChI=1/C26H27Cl2N3O6S/c1-4-29-22-13-19(27)20(28)14-23(22)31(15-18(36-17(3)32)16-38(33,34)35)25(29)11-8-12-26-30(5-2)21-9-6-7-10-24(21)37-26/h6-14,18H,4-5,15-16H2,1-3H3",C26H27Cl2N3O6S,,,,,,VUWMFLLNEXBFLA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.131,269-465-7,68239-72-5,"1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(4-hydroxybutyl)-N-methylpentane-1-sulphonamide","1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(4-hydroxybutyl)-N-methylpentane-1-sulfonamide",CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H12F11NO3S/c1-22(4-2-3-5-23)26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h23H,2-5H2,1H3",C10H12F11NO3S,,,,,,YZMJHIOSEWYVSR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.138,269-473-0,68239-79-2,Bis[ethyl(4-hydroxy-o-tolyl)ammonium] sulphate,bis(N-ethyl-4-hydroxy-2-methylanilinium) sulfate,CC[NH2+]c1ccc(O)cc1C.CC[NH2+]c2ccc(O)cc2C.[O-]S(=O)(=O)[O-],CC[NH2+]c1ccc(O)cc1C.CC[NH2+]c2ccc(O)cc2C.[O-]S(=O)(=O)[O-],"InChI=1/2C9H13NO.H2O4S/c2*1-3-10-9-5-4-8(11)6-7(9)2;1-5(2,3)4/h2*4-6,10-11H,3H2,1-2H3;(H2,1,2,3,4)",C9H13NO.1/2H2O4S,,,,,,VKDKCKBKQWQQOK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.092,281-527-5,83968-47-2,"(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonate","3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS(=O)(=O)C[C@]56CCC(CC5=O)C6(C)C)[C@@H]7Oc1c2[C@]47CCN3C,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS(=O)(=O)C[C@]56CCC(CC5=O)C6(C)C)[C@@H]7Oc1c2[C@]47CCN3C,"InChI=1/C28H35NO6S/c1-26(2)17-9-10-27(26,22(30)14-17)15-36(31,32)35-21-8-6-18-19-13-16-5-7-20(33-4)24-23(16)28(18,25(21)34-24)11-12-29(19)3/h5-8,17-19,21,25H,9-15H2,1-4H3",C18H21NO3.C10H16O4S,,,,,,QZLHCRYWKOXQDH-WIQCITINSA-N,,,,,,,,,,,
100.074.100,281-535-9,83968-55-2,7-[(aminocarbonyl)amino]-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid,7-(carbamoylamino)-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(N)=O)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(N)=O)S(O)(=O)=O,"InChI=1/C23H18N6O8S2/c24-23(31)25-17-7-10-19-13(11-17)12-20(39(35,36)37)21(22(19)30)29-28-15-3-1-14(2-4-15)26-27-16-5-8-18(9-6-16)38(32,33)34/h1-12,30H,(H3,24,25,31)(H,32,33,34)(H,35,36,37)",C23H18N6O8S2,,,,,,UVNAXJNTFKWXAK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.105,281-541-1,83968-60-9,Disodium 6-acetamido-4-hydroxy-3-[(3-phosphonatophenyl)azo]naphthalene-2-sulphonate,-,[Na+].[Na+].O=P([O-])([O-])c3cc(N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)ccc3,[Na+].[Na+].O=P([O-])([O-])c3cc(N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)ccc3,"InChI=1/C18H16N3O8PS.2Na/c1-10(22)19-12-6-5-11-7-16(31(27,28)29)17(18(23)15(11)9-12)21-20-13-3-2-4-14(8-13)30(24,25)26;;/h2-9,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29);;/q;2*+1/p-3",C18H16N3O8PS.2Na,,,,,,MVYLRSKJYDGUAY-UHFFFAOYSA-K,,,,,,,,,,,
100.074.181,281-624-2,84000-68-0,"Pentasodium 2-[[8-amino-1-hydroxy-3,6-disulphonato-7-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-2-naphthyl]azo]naphthalene-1,5-disulphonate","pentasodium 2-({8-amino-1-hydroxy-3,6-disulfonato-7-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-2-naphthyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc4ccc3c(cccc3c4S([O-])(=O)=O)S([O-])(=O)=O)c5O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc4ccc3c(cccc3c4S([O-])(=O)=O)S([O-])(=O)=O)c5O)S([O-])(=O)=O,"InChI=1/C28H23N5O19S6.5Na/c29-24-23-14(11-21(55(40,41)42)25(24)32-30-15-3-1-4-16(13-15)53(35,36)10-9-52-58(49,50)51)12-22(56(43,44)45)26(27(23)34)33-31-19-8-7-17-18(28(19)57(46,47)48)5-2-6-20(17)54(37,38)39;;;;;/h1-8,11-13,34H,9-10,29H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;/q;5*+1/p-5",C28H23N5O19S6.5Na,,,,,,KUTFSISAXKZOFD-UHFFFAOYSA-I,,,,,,,,,,,
100.074.182,281-625-8,84000-69-1,"3-[(1-ethyl-1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-6-quinolyl)azo]isothiazolo[3,4-b]pyridine-5-carbonitrile","3-[(1-ethyl-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)diazenyl]isothiazolo[3,4-b]pyridine-5-carbonitrile",CC1CC(C)(C)N(CC)c2cc(C)c(cc12)N=Nc3snc4ncc(cc34)C#N,CC1CC(C)(C)N(CC)c2cc(C)c(cc12)N=Nc3snc4ncc(cc34)C#N,"InChI=1/C22H24N6S/c1-6-28-19-7-13(2)18(9-16(19)14(3)10-22(28,4)5)25-26-21-17-8-15(11-23)12-24-20(17)27-29-21/h7-9,12,14H,6,10H2,1-5H3",C22H24N6S,,,,,,GXFUXIFXTBCGTC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.076,277-107-6,72939-53-8,2-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde,2-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde,O=CC1CC\\C=C/C1=CC(C)(C)O,O=CC1CC\C=C/C1=CC(C)(C)O,"InChI=1/C11H16O2/c1-11(2,13)7-9-5-3-4-6-10(9)8-12/h3,5,7-8,10,13H,4,6H2,1-2H3",C11H16O2,,,,,,GWKHZXGRPBDDKT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.081,277-112-3,72939-66-3,"2-aminoethanol, compound with 1-hydroxy-1H-benzotriazole (1:1)",1H-benzotriazol-1-ol - 2-aminoethanol (1:1),NCCO.On1nnc2ccccc12,NCCO.On1nnc2ccccc12,"InChI=1/C6H5N3O.C2H7NO/c10-9-6-4-2-1-3-5(6)7-8-9;3-1-2-4/h1-4,10H;4H,1-3H2",C6H5N3O.C2H7NO,,,,,,TZZYFVIPUPAFOR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.085,277-117-0,72943-20-5,3-anilinopropanesulphonic acid,3-anilinopropane-1-sulfonic acid,OS(=O)(=O)CCCNc1ccccc1,OS(=O)(=O)CCCNc1ccccc1,"InChI=1/C9H13NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,11,12,13)",C9H13NO3S,,,,,,NYLUYMWPXIIXDX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.092,277-124-9,72955-42-1,Diisobutyl (4-methoxybenzylidene)malonate,diisobutyl (4-methoxybenzylidene)malonate,COc1ccc(C=C(C(=O)OCC(C)C)C(=O)OCC(C)C)cc1,COc1ccc(C=C(C(=O)OCC(C)C)C(=O)OCC(C)C)cc1,"InChI=1/C19H26O5/c1-13(2)11-23-18(20)17(19(21)24-12-14(3)4)10-15-6-8-16(22-5)9-7-15/h6-10,13-14H,11-12H2,1-5H3",C19H26O5,,,,,,AAUIXMHRSOGWSE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.475,269-844-7,68334-70-3,"N,N'-[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]imino]bis(methylene)]bis(docosanamide)","N,N'-[({4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl}imino)bis(methylene)]didocosanamide",CCCCCCCCCCCCCCCCCCCCCC(=O)NCN(CNC(=O)CCCCCCCCCCCCCCCCCCCCC)c1nc(nc(n1)N(COC)COC)N(COC)COC,CCCCCCCCCCCCCCCCCCCCCC(=O)NCN(CNC(=O)CCCCCCCCCCCCCCCCCCCCC)c1nc(nc(n1)N(COC)COC)N(COC)COC,"InChI=1/C57H112N8O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-53(66)58-47-63(55-60-56(64(49-68-3)50-69-4)62-57(61-55)65(51-70-5)52-71-6)48-59-54(67)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-52H2,1-6H3,(H,58,66)(H,59,67)",C57H112N8O6,,,,,,GGOMVYDYDDBBMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.478,269-847-3,68345-17-5,"3,7-dimethyloct-1-en-3-yl acetate","1,5-dimethyl-1-vinylhexyl acetate",CC(C)CCCC(C)(OC(=O)C)C=C,CC(C)CCCC(C)(OC(=O)C)C=C,"InChI=1/C12H22O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,10H,1,7-9H2,2-5H3",C12H22O2,,,,,,DMSMQGBPJBKXNU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.480,269-849-4,68345-21-1,"Disodium 3-[[3,3'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]oxy]naphthalene-2,7-disulphonate","disodium 3-({3,3'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-2,7-disulfonate",[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2ccc(cc2C)c6ccc(N=Nc5c(cc4cc(cc(OS(=O)(=O)c3ccc(C)cc3)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c6)c7ccc(C)cc7,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2ccc(cc2C)c6ccc(N=Nc5c(cc4cc(cc(OS(=O)(=O)c3ccc(C)cc3)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c6)c7ccc(C)cc7,"InChI=1/C44H36N4O13S4.2Na/c1-26-5-15-35(16-6-26)64(56,57)60-34-13-11-33(12-14-34)45-46-38-19-9-30(21-28(38)3)31-10-20-39(29(4)22-31)47-48-43-41(63(53,54)55)24-32-23-37(62(50,51)52)25-40(42(32)44(43)49)61-65(58,59)36-17-7-27(2)8-18-36;;/h5-25,49H,1-4H3,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2",C44H36N4O13S4.2Na,,,,,,ZRWXOODTQIOLBO-UHFFFAOYSA-L,,,,,,,,,,,
100.063.483,269-853-6,68348-77-6,"4,4'-iminobisbenzenediazonium tetrachlorozincate (1:1)","4,4'-iminodibenzenediazonium tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(Nc2ccc(cc2)[N+]#N)cc1,Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(Nc2ccc(cc2)[N+]#N)cc1,"InChI=1/C12H9N5.4ClH.Zn/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;;;;;/h1-8,15H;4*1H;/q+2;;;;;+2/p-4/rC12H9N5.Cl4Zn/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;1-5(2,3)4/h1-8,15H;/q+2;-2",C12H9N5.Cl4Zn,,,,,,ZGMKZCQLNCOKKM-UHFFFAOYSA-J,,,,,,,,,,,
100.063.082,269-411-2,68238-91-5,"1,2,3-propanetriyl tris(2-hexyldecanoate)","propane-1,2,3-triyl tris(2-hexyldecanoate)",CCCCCCCCC(CCCCCC)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC,CCCCCCCCC(CCCCCC)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC,"InChI=1/C51H98O6/c1-7-13-19-25-28-34-39-45(37-31-22-16-10-4)49(52)55-43-48(57-51(54)47(41-33-24-18-12-6)42-36-30-27-21-15-9-3)44-56-50(53)46(38-32-23-17-11-5)40-35-29-26-20-14-8-2/h45-48H,7-44H2,1-6H3",C51H98O6,,,,,,BXDHVEPMDVSCOF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.090,269-420-1,68239-07-6,"3,7-bis(diethylamino)-1-ethoxyphenoxazin-5-ium nitrate","3,7-bis(diethylamino)-1-ethoxyphenoxazin-5-ium nitrate",CCOc1cc(cc2[o+]c3cc(ccc3nc12)N(CC)CC)N(CC)CC.[O-][N+](=O)[O-],CCOc1cc(cc2[o+]c3cc(ccc3nc12)N(CC)CC)N(CC)CC.[O-][N+](=O)[O-],"InChI=1/C22H30N3O2.NO3/c1-6-24(7-2)16-11-12-18-19(13-16)27-21-15-17(25(8-3)9-4)14-20(26-10-5)22(21)23-18;2-1(3)4/h11-15H,6-10H2,1-5H3;/q+1;-1",C22H30N3O2.NO3,,,,,,WLERJQOSXFDJRL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.095,269-425-9,68239-12-3,"N,N'-diallylquinoxaline-2,3-diamine monotoluene-p-sulphonate","N,N'-diallylquinoxaline-2,3-diamine 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)O.C=CCNc2nc3ccccc3nc2NCC=C,Cc1ccc(cc1)S(=O)(=O)O.C=CCNc2nc3ccccc3nc2NCC=C,"InChI=1/C14H16N4.C7H8O3S/c1-3-9-15-13-14(16-10-4-2)18-12-8-6-5-7-11(12)17-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2,9-10H2,(H,15,17)(H,16,18);2-5H,1H3,(H,8,9,10)",C14H16N4.C7H8O3S,,,,,,FPYDDNRHDKVMTA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.099,269-430-6,68239-16-7,"Succinic acid, compound with N,N-diethylcyclohexylamine (1:2)","N,N-diethylcyclohexanamine succinate (2:1)",CCN(CC)C1CCCCC1.CCN(CC)C2CCCCC2.OC(=O)CCC(=O)O,CCN(CC)C1CCCCC1.CCN(CC)C2CCCCC2.OC(=O)CCC(=O)O,"InChI=1/2C10H21N.C4H6O4/c2*1-3-11(4-2)10-8-6-5-7-9-10;5-3(6)1-2-4(7)8/h2*10H,3-9H2,1-2H3;1-2H2,(H,5,6)(H,7,8)",C10H21N.1/2C4H6O4,,,,,,HGJKHKVGCFFLBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.102,269-433-2,68239-21-4,3-chloro-4-(phenylazo)aniline,3-chloro-4-(phenyldiazenyl)aniline,Clc2cc(N)ccc2N=Nc1ccccc1,Clc2cc(N)ccc2N=Nc1ccccc1,"InChI=1/C12H10ClN3/c13-11-8-9(14)6-7-12(11)16-15-10-4-2-1-3-5-10/h1-8H,14H2",C12H10ClN3,,,,,,BPWATVQHGPVDSF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.047,281-477-4,83950-26-9,"5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate","5-(dimethylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium methyl sulfate",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.[O-]S(=O)(=O)OC,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.[O-]S(=O)(=O)OC,"InChI=1/C13H19N6S.CH4O4S/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C13H19N6S.CH3O4S,,,,,,RHUNEAXIFARCCT-UHFFFAOYSA-M,,,,,,,,,,,
100.074.048,281-479-5,83950-27-0,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium dihydrogen phosphate,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenzo[cd]indolium dihydrogen phosphate,CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.[O-]P(=O)([O-])[O-],CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.[O-]P(=O)([O-])[O-],"InChI=1/C23H24BrN2.H3O4P/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-5(2,3)4/h7-15H,4-6H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3",C23H24BrN2.H2O4P,,,,,,OQFOUBOXFMXGBA-UHFFFAOYSA-K,,,,,,,,,,,
100.075.946,283-571-0,84682-10-0,"8-(sec-butyl)-1,2,3,4-tetrahydroquinoline","8-sec-butyl-1,2,3,4-tetrahydroquinoline",CCC(C)c1cccc2CCCNc12,CCC(C)c1cccc2CCCNc12,"InChI=1/C13H19N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h4,6,8,10,14H,3,5,7,9H2,1-2H3",C13H19N,,,,,,LGODJGHQMMHAHW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.948,283-573-1,84682-12-2,"3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-butenal","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)but-2-enal",CC2(C)C1CCC(C1)C2C(C)=CC=O,CC2(C)C1CCC(C1)C2C(C)=CC=O,"InChI=1/C13H20O/c1-9(6-7-14)12-10-4-5-11(8-10)13(12,2)3/h6-7,10-12H,4-5,8H2,1-3H3",C13H20O,,,,,,VAYVKDRGIHTJMV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.951,283-576-8,84682-15-5,3-(allyl)-2-(allyloxy)benzaldehyde,3-allyl-2-(allyloxy)benzaldehyde,C=CCOc1c(CC=C)cccc1C=O,C=CCOc1c(CC=C)cccc1C=O,"InChI=1/C13H14O2/c1-3-6-11-7-5-8-12(10-14)13(11)15-9-4-2/h3-5,7-8,10H,1-2,6,9H2",C13H14O2,,,,,,YIZHWEKWDRJEKT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.955,283-581-5,84682-19-9,2-phenylethyl methoxyacetate,2-phenylethyl methoxyacetate,COCC(=O)OCCc1ccccc1,COCC(=O)OCCc1ccccc1,"InChI=1/C11H14O3/c1-13-9-11(12)14-8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3",C11H14O3,,,,,,LJRZTWFJDUIJGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.960,283-586-2,84682-24-6,4-(4-fluorobenzoyl)piperidine-1-acetonitrile,[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile,Fc1ccc(cc1)C(=O)C2CCN(CC#N)CC2,Fc1ccc(cc1)C(=O)C2CCN(CC#N)CC2,"InChI=1/C14H15FN2O/c15-13-3-1-11(2-4-13)14(18)12-5-8-17(9-6-12)10-7-16/h1-4,12H,5-6,8-10H2",C14H15FN2O,,,,,,MSMHDJPCXSJKSY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.961,283-587-8,84682-25-7,Ethyl cis-4-[(4-chloro-2-nitrophenyl)amino]-3-hydroxypiperidine-1-carboxylate,ethyl 4-[(4-chloro-2-nitrophenyl)amino]-3-hydroxypiperidine-1-carboxylate,CCOC(=O)N1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](O)C1,CCOC(=O)N1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](O)C1,"InChI=1/C14H18ClN3O5/c1-2-23-14(20)17-6-5-11(13(19)8-17)16-10-4-3-9(15)7-12(10)18(21)22/h3-4,7,11,13,16,19H,2,5-6,8H2,1H3",C14H18ClN3O5,,,,,,ZNRFAHRTOBFRME-YPMHNXCESA-N,,,,,,,,,,,
100.075.962,283-588-3,84682-26-8,4-hydroxy-1-phenethylpiperidine-4-carbonitrile monohydrochloride,4-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile hydrochloride,Cl.OC1(CCN(CCc2ccccc2)CC1)C#N,Cl.OC1(CCN(CCc2ccccc2)CC1)C#N,"InChI=1/C14H18N2O.ClH/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13;/h1-5,17H,6-11H2;1H",C14H18N2O.ClH,,,,,,JMTWKDTXXAUZAR-UHFFFAOYSA-N,,,,,,,,,,,
100.052.321,257-572-1,51980-71-3,"Disodium 4,4'-bis[[2-(hydroxyimino)-1-phenylethylidene]hydrazino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-{2-[2-(hydroxyimino)-1-phenylethylidene]hydrazino}benzenesulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c4cc(NN=C(C=NO)c1ccccc1)ccc4/C=C/c3ccc(NN=C(C=NO)c2ccccc2)cc3S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4cc(NN=C(C=NO)c1ccccc1)ccc4/C=C/c3ccc(NN=C(C=NO)c2ccccc2)cc3S([O-])(=O)=O,"InChI=1/C30H26N6O8S2.2Na/c37-31-19-27(21-7-3-1-4-8-21)35-33-25-15-13-23(29(17-25)45(39,40)41)11-12-24-14-16-26(18-30(24)46(42,43)44)34-36-28(20-32-38)22-9-5-2-6-10-22;;/h1-20,33-34,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C30H26N6O8S2.2Na,,,,,,AXGOIJDXBQDUEA-RHFQYOAWSA-L,,,,,,,,,,,
100.052.322,257-573-7,51981-21-6,"Tetrasodium N,N-bis(carboxylatomethyl)-L-glutamate",tetrasodium 2-[bis(carboxylatomethyl)amino]pentanedioate,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CC[C@H](N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CC[C@H](N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-],"InChI=1/C9H13NO8.4Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;4*+1/p-4",C9H13NO8.4Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2174,https://echa.europa.eu/substance-information/-/substanceinfo/100.052.322,UZVUJVFQFNHRSY-OUTKXMMCSA-J,,,,,,,,,,,
100.052.328,257-580-5,51987-06-5,1-methyl-1-vinyl-1H-imidazolium methyl sulphate,1-methyl-1-vinyl-1H-imidazol-1-ium methyl sulfate,COS(=O)(=O)[O-].C[N+]1(C=C)C=CN=C1,COS(=O)(=O)[O-].C[N+]1(C=C)C=CN=C1,"InChI=1/C6H9N2.CH4O4S/c1-3-8(2)5-4-7-6-8;1-5-6(2,3)4/h3-6H,1H2,2H3;1H3,(H,2,3,4)/q+1;/p-1",C6H9N2.CH3O4S,,,,,,YDAMQVCBLHGSOL-UHFFFAOYSA-M,,,,,,,,,,,
100.052.331,257-583-1,51988-22-8,m-[[4-[(4-hydroxy-m-tolyl)azo]-3-methoxyphenyl]azo]benzenesulphonic acid,3-({4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methoxyphenyl}diazenyl)benzenesulfonic acid,COc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cccc(c3)S(O)(=O)=O,COc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cccc(c3)S(O)(=O)=O,"InChI=1/C20H18N4O5S/c1-13-10-15(7-9-19(13)25)23-24-18-8-6-16(12-20(18)29-2)22-21-14-4-3-5-17(11-14)30(26,27)28/h3-12,25H,1-2H3,(H,26,27,28)",C20H18N4O5S,,,,,,MJYASUMWLWDELT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.332,257-584-7,51988-24-0,Lithium 3-[[4-[(4-hydroxy-3-methylphenyl)azo]-3-methoxyphenyl]azo]benzenesulphonate,lithium 3-({4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methoxyphenyl}diazenyl)benzenesulfonate,[Li+].COc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,[Li+].COc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,"InChI=1/C20H18N4O5S.Li/c1-13-10-15(7-9-19(13)25)23-24-18-8-6-16(12-20(18)29-2)22-21-14-4-3-5-17(11-14)30(26,27)28;/h3-12,25H,1-2H3,(H,26,27,28);/q;+1/p-1",C20H18N4O5S.Li,,,,,,GRIZQMWEBPFUCN-UHFFFAOYSA-M,,,,,,,,,,,
100.052.334,257-586-8,51988-29-5,"Methyl 7-(diethylamino)-2'-methylspiro[2H-1-benzopyran-2,3'-[3H]naphtho[2,1-b]pyran]-5'-carboxylate","methyl 7'-(diethylamino)-2-methylspiro[benzo[f]chromene-3,2'-chromene]-5-carboxylate",CCN(CC)c1ccc2C=CC3(Oc2c1)Oc4c(C=C3C)c5ccccc5cc4C(=O)OC,CCN(CC)c1ccc2C=CC3(Oc2c1)Oc4c(C=C3C)c5ccccc5cc4C(=O)OC,"InChI=1/C28H27NO4/c1-5-29(6-2)21-12-11-19-13-14-28(32-25(19)17-21)18(3)15-23-22-10-8-7-9-20(22)16-24(26(23)33-28)27(30)31-4/h7-17H,5-6H2,1-4H3",C28H27NO4,,,,,,ISTVAESNCSYQNV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.982,278-103-7,75198-93-5,Sodium 5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate,sodium 5-{[4-acetamido-2-(trifluoromethyl)phenyl]diazenyl}-6-amino-4-hydroxynaphthalene-2-sulfonate,[Na+].CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)C(F)(F)F,[Na+].CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)C(F)(F)F,"InChI=1/C19H15F3N4O5S.Na/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18;/h2-8,28H,23H2,1H3,(H,24,27)(H,29,30,31);/q;+1/p-1",C19H15F3N4O5S.Na,,,,,,CGUIEABQHWOFCD-UHFFFAOYSA-M,,,,,,,,,,,
100.070.986,278-107-9,75198-99-1,"Lithium sodium 7-[[4-[[[[4-[(4,8-disulpho-2-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-1,3-disulphonate","lithium sodium 7-({4-[({4-[(4,8-disulfo-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,3-disulfonate",[Li+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc3cc4c(cc(cc4cc3)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,[Li+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc3cc4c(cc(cc4cc3)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC,"InChI=1/C37H32N6O15S4.Li.Na/c1-19-10-30(32(57-3)17-28(19)42-40-22-9-8-21-12-24(59(45,46)47)16-36(26(21)13-22)62(54,55)56)38-37(44)39-31-11-20(2)29(18-33(31)58-4)43-41-23-14-27-25(35(15-23)61(51,52)53)6-5-7-34(27)60(48,49)50;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2",C37H32N6O15S4.xLi.xNa,,,,,,CXSAZILGSUDMSC-UHFFFAOYSA-L,,,,,,,,,,,
100.070.992,278-114-7,75199-11-0,12-oxo-N-phenyl-12H-phthaloperinesulphonamide,"12-oxo-N-phenyl-12H-isoindolo[2,1-a]perimidine-1-sulfonamide",O=C1N2C(=Nc3cccc4ccc(c2c34)S(=O)(=O)Nc5ccccc5)c6ccccc16,O=C1N2C(=Nc3cccc4ccc(c2c34)S(=O)(=O)Nc5ccccc5)c6ccccc16,"InChI=1/C24H15N3O3S/c28-24-18-11-5-4-10-17(18)23-25-19-12-6-7-15-13-14-20(22(21(15)19)27(23)24)31(29,30)26-16-8-2-1-3-9-16/h1-14,26H",C24H15N3O3S,,,,,,BTXGRKKCSCHUPX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.993,278-115-2,75199-13-2,"Benzyl 4-[(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl)azo]benzoate","benzyl 4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoate",O=C(OCc1ccccc1)c2ccc(cc2)N=N/C3=C(\\O)N(CCCC)C(=O)C(/C#N)=C3/C,O=C(OCc1ccccc1)c2ccc(cc2)N=N/C3=C(\O)N(CCCC)C(=O)C(/C#N)=C3/C,"InChI=1/C25H24N4O4/c1-3-4-14-29-23(30)21(15-26)17(2)22(24(29)31)28-27-20-12-10-19(11-13-20)25(32)33-16-18-8-6-5-7-9-18/h5-13,31H,3-4,14,16H2,1-2H3",C25H24N4O4,,,,,,NLBJUKCCXSUWHO-UHFFFAOYSA-N,,,,,,,,,,,
100.074.106,281-542-7,83968-61-0,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octanamide monoacetate,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octanamide acetate,CCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,CCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,"InChI=1/C16H37N5O.C2H4O2/c1-2-3-4-5-6-7-16(22)21-15-14-20-13-12-19-11-10-18-9-8-17;1-2(3)4/h18-20H,2-15,17H2,1H3,(H,21,22);1H3,(H,3,4)",C16H37N5O.C2H4O2,,,,,,FYNYBQMIIGVZQN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.112,281-549-5,83968-67-6,"4-(phenylazo)benzene-1,3-diamine dihydrochloride","4-(phenyldiazenyl)benzene-1,3-diamine dihydrochloride",Cl.Cl.Nc2ccc(N=Nc1ccccc1)c(N)c2,Cl.Cl.Nc2ccc(N=Nc1ccccc1)c(N)c2,"InChI=1/C12H12N4.2ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;;/h1-8H,13-14H2;2*1H",C12H12N4.2ClH,,,,,,UKJLCWQGMMUCBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.644,284-339-1,84852-28-8,"N,N',N''-(5,10,15,16,17,18,19,24-octahydro-5,10,15,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:5,4-a']dicarbazole-4,11,23-triyl)tris(benzamide)","N,N',N''-(5,10,15,17,19,24-hexaoxo-5,10,15,16,17,18,19,24-octahydrodinaphtho[2,3-i:2,3-i']benzo[1,2-a:5,4-a']dicarbazole-4,11,23(8H)-triyl)tribenzamide",O=C(Nc1cccc2C(=O)c3c(ccc4c5CC=C6C(=O)c7c(NC(=O)c8ccccc8)cc9C%10=CC=C%11C(=O)C%12=C(C=C%11C%10=Nc9c7C=C6c5n(NC(=O)c%13ccccc%13)c34)C(=O)CC(=O)C%12)C(=O)c12)c%14ccccc%14,O=C(Nc1cccc2C(=O)c3c(ccc4c5CC=C6C(=O)c7c(NC(=O)c8ccccc8)cc9C%10=CC=C%11C(=O)C%12=C(C=C%11C%10=Nc9c7C=C6c5n(NC(=O)c%13ccccc%13)c34)C(=O)CC(=O)C%12)C(=O)c12)c%14ccccc%14,"InChI=1/C63H35N5O9/c69-33-25-45-41(49(70)26-33)27-42-37(57(45)71)22-19-34-43-29-48(65-62(76)31-13-6-2-7-14-31)51-46(54(43)66-53(34)42)28-44-38(58(51)72)23-20-35-36-21-24-40-52(56(36)68(55(35)44)67-63(77)32-15-8-3-9-16-32)60(74)39-17-10-18-47(50(39)59(40)73)64-61(75)30-11-4-1-5-12-30/h1-19,21-24,27-29H,20,25-26H2,(H,64,75)(H,65,76)(H,67,77)",C63H33N5O9,,,,,,KCUOJKUIHYONQW-UHFFFAOYSA-N,,,,,,,,,,,
100.076.647,284-342-8,84852-31-3,Disodium 6-(acetylamino)-3-[[5-(acetylamino)-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-acetamido-3-[(5-acetamido-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].CC(=O)Nc3cc(N=Nc2c(cc1ccc(cc1c2O)NC(C)=O)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc3cc(N=Nc2c(cc1ccc(cc1c2O)NC(C)=O)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,"InChI=1/C20H18N4O9S2.2Na/c1-10(25)21-13-4-3-12-7-18(35(31,32)33)19(20(27)15(12)8-13)24-23-16-9-14(22-11(2)26)5-6-17(16)34(28,29)30;;/h3-9,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H18N4O9S2.2Na,,,,,,FDUUUOURFWZXLI-UHFFFAOYSA-L,,,,,,,,,,,
100.070.344,277-401-4,73367-80-3,12-bromododecanoic acid,12-bromododecanoic acid,OC(=O)CCCCCCCCCCCBr,OC(=O)CCCCCCCCCCCBr,"InChI=1/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)",C12H23BrO2,,,,,,YYKBWYBUCFHYPR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.348,277-406-1,73384-60-8,Sulmazole,"2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-b]pyridine",COc1cc(ccc1c2nc3ncccc3[nH]2)S(=O)C,COc1cc(ccc1c2nc3ncccc3[nH]2)S(=O)C,"InChI=1/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)",C14H13N3O2S,,,,,,XMFCOYRWYYXZMY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.359,277-418-7,73384-77-7,2-[[4-(diethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride,"2-{[4-(diethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chloride",[Cl-].CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[Cl-].CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C19H23N4OS.ClH/c1-5-23(6-2)15-9-7-14(8-10-15)20-21-19-22(3)17-12-11-16(24-4)13-18(17)25-19;/h7-13H,5-6H2,1-4H3;1H/q+1;/p-1",C19H23N4OS.Cl,,,,,,HNEVJTVTQAVNAM-UHFFFAOYSA-M,,,,,,,,,,,
100.070.360,277-419-2,73384-78-8,"Sodium 4-[[4-chloro-6-(methylanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","sodium 4-({4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[1-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].Cc5ccccc5Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2ccccc2Cl)C3=O)c(cc4)S([O-])(=O)=O,[Na+].Cc5ccccc5Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2ccccc2Cl)C3=O)c(cc4)S([O-])(=O)=O,"InChI=1/C26H21Cl2N9O4S.Na/c1-14-7-3-5-9-18(14)30-26-32-24(28)31-25(33-26)29-16-11-12-21(42(39,40)41)19(13-16)34-35-22-15(2)36-37(23(22)38)20-10-6-4-8-17(20)27;/h3-13,22H,1-2H3,(H,39,40,41)(H2,29,30,31,32,33);/q;+1/p-1",C26H21Cl2N9O4S.Na,,,,,,WVXPJDZQOMWFCK-UHFFFAOYSA-M,,,,,,,,,,,
100.070.362,277-421-3,73385-03-2,Calcium bis[4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate],calcium bis[4-({1-[(4-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate],[Ca+2].COc2ccc(NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O)cc2.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c(c2)[N+]([O-])=O,[Ca+2].COc2ccc(NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O)cc2.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c(c2)[N+]([O-])=O,"InChI=1/2C17H16N4O8S.Ca/c2*1-10(22)16(17(23)18-11-3-5-12(29-2)6-4-11)20-19-14-8-7-13(30(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2",C17H16N4O8S.1/2Ca,,,,,,LJZNJAZFGMKGKA-UHFFFAOYSA-L,,,,,,,,,,,
100.063.143,269-478-8,68239-84-9,Bis[(diethylhydroxyphenyl)ammonium] sulphate,"bis(2,3-diethyl-4-hydroxyanilinium) sulfate",CCc1c([NH3+])ccc(O)c1CC.CCc2c([NH3+])ccc(O)c2CC.[O-]S(=O)(=O)[O-],CCc1c([NH3+])ccc(O)c1CC.CCc2c([NH3+])ccc(O)c2CC.[O-]S(=O)(=O)[O-],"InChI=1/2C10H15NO.H2O4S/c2*1-3-7-8(4-2)10(12)6-5-9(7)11;1-5(2,3)4/h2*5-6,12H,3-4,11H2,1-2H3;(H2,1,2,3,4)",C10H15NO.1/2H2O4S,,,,,,HPVIJUQMPNIMLR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.492,269-863-0,68367-53-3,"N,N,N',N',2-pentamethylpropane-1,2-diamine","N,N,N',N',2-pentamethylpropane-1,2-diamine",CN(C)CC(C)(C)N(C)C,CN(C)CC(C)(C)N(C)C,"InChI=1/C8H20N2/c1-8(2,10(5)6)7-9(3)4/h7H2,1-6H3",C8H20N2,,,,,,IHOVNUMTDBCBAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.494,269-865-1,68368-34-3,Barium bis[6-chloro-3-[(2-hydroxy-1-naphthyl)azo]toluene-2-sulphonate],barium bis{3-chloro-6-[(2-hydroxy-1-naphthyl)diazenyl]-2-methylbenzenesulfonate},[Ba+2].Cc1c(c(ccc1Cl)N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O.Oc3ccc1ccccc1c3N=Nc2ccc(Cl)c(C)c2S([O-])(=O)=O,[Ba+2].Cc1c(c(ccc1Cl)N=Nc2c3ccccc3ccc2O)S([O-])(=O)=O.Oc3ccc1ccccc1c3N=Nc2ccc(Cl)c(C)c2S([O-])(=O)=O,"InChI=1/2C17H13ClN2O4S.Ba/c2*1-10-13(18)7-8-14(17(10)25(22,23)24)19-20-16-12-5-3-2-4-11(12)6-9-15(16)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",C17H13ClN2O4S.1/2Ba,,,,,,TYANXFGJPWZLPB-UHFFFAOYSA-L,,,,,,,,,,,
100.074.190,281-634-7,84000-77-1,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium thiocyanate","2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium thiocyanate",CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[S-]C#N,CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[S-]C#N,"InChI=1/C23H26N3.CHNS/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;2-1-3/h5-6,8-15H,7,17H2,1-4H3;3H/q+1;/p-1",C23H26N3.CNS,,,,,,NWYWGJPLKDYSRM-UHFFFAOYSA-M,,,,,,,,,,,
100.074.194,281-638-9,84000-82-8,"1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate","5-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium acetate",CN3/C=N\\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.[O-]C(C)=O,CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.[O-]C(C)=O,"InChI=1/C18H22N6.C2H4O2/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-2(3)4/h4-12,14,18H,13H2,1-3H3;1H3,(H,3,4)",C18H21N6.C2H3O2,,,,,,OWSBWTLLCYIMPP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.204,281-649-9,84000-93-1,2-[(2-butoxyethoxy)methoxy]ethanol,2-[(2-butoxyethoxy)methoxy]ethanol,CCCCOCCOCOCCO,CCCCOCCOCOCCO,"InChI=1/C9H20O4/c1-2-3-5-11-7-8-13-9-12-6-4-10/h10H,2-9H2,1H3",C9H20O4,,,,,,PTXRKKWXSRJGKP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.585,280-967-5,83817-66-7,Dimethoxymethyl(phenylmethoxy)silane,(benzyloxy)(dimethoxymethyl)silane,COC(OC)[SiH2]OCc1ccccc1,COC(OC)[SiH2]OCc1ccccc1,"InChI=1/C10H16O3Si/c1-11-10(12-2)14-13-8-9-6-4-3-5-7-9/h3-7,10H,8,14H2,1-2H3",C10H16O3Si,,,,,,QGLFLYQSXARSAU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.587,280-969-6,83817-68-9,Methoxymethylbis[(3-phenylallyl)oxy]silane,(methoxymethyl){bis[(3-phenylprop-2-en-1-yl)oxy]}silane,COC[SiH](OC\\C=C\\c1ccccc1)OC\\C=C\\c2ccccc2,COC[SiH](OC\C=C\c1ccccc1)OC\C=C\c2ccccc2,"InChI=1/C20H24O3Si/c1-21-18-24(22-16-8-14-19-10-4-2-5-11-19)23-17-9-15-20-12-6-3-7-13-20/h2-15,24H,16-18H2,1H3",C20H24O3Si,,,,,,MVNROSWUMMJJSI-VOMDNODZSA-N,,,,,,,,,,,
100.073.589,280-971-7,83817-70-3,Methyltris[(3-phenylallyl)oxy]silane,methyl{tris[(3-phenylprop-2-en-1-yl)oxy]}silane,C[Si](OC\\C=C\\c1ccccc1)(OC\\C=C\\c2ccccc2)OC\\C=C\\c3ccccc3,C[Si](OC\C=C\c1ccccc1)(OC\C=C\c2ccccc2)OC\C=C\c3ccccc3,"InChI=1/C28H30O3Si/c1-32(29-23-11-20-26-14-5-2-6-15-26,30-24-12-21-27-16-7-3-8-17-27)31-25-13-22-28-18-9-4-10-19-28/h2-22H,23-25H2,1H3",C28H30O3Si,,,,,,UDVUCLJLVPBUMZ-YUXOBOFSSA-N,,,,,,,,,,,
100.073.592,280-974-3,83817-73-6,Methoxymethylbis(phenylmethoxy)silane,bis(benzyloxy)(methoxymethyl)silane,COC[SiH](OCc1ccccc1)OCc2ccccc2,COC[SiH](OCc1ccccc1)OCc2ccccc2,"InChI=1/C16H20O3Si/c1-17-14-20(18-12-15-8-4-2-5-9-15)19-13-16-10-6-3-7-11-16/h2-11,20H,12-14H2,1H3",C16H20O3Si,,,,,,JHPNMXRYRUGNHR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.604,280-987-4,83833-14-1,4-(phenylazo)naphthalen-1-amine monohydrochloride,4-(phenyldiazenyl)naphthalen-1-amine hydrochloride,Cl.Nc3ccc(N=Nc1ccccc1)c2ccccc23,Cl.Nc3ccc(N=Nc1ccccc1)c2ccccc23,"InChI=1/C16H13N3.ClH/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12;/h1-11H,17H2;1H",C16H13N3.ClH,,,,,,CBIKBLARWHZKSA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.613,280-997-9,83833-24-3,"Tetradecyl 4-dodecyl-7-oxo-4-[[2-oxo-2-(tetradecyloxy)ethyl]thio]-8-oxa-3,5-dithia-4-stannadocosanoate","tetradecyl 4-dodecyl-7-oxo-4-{[2-oxo-2-(tetradecyloxy)ethyl]sulfanyl}-8-oxa-3,5-dithia-4-stannadocosan-1-oate",CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,"InChI=1/3C16H32O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;1-3-5-7-9-11-12-10-8-6-4-2;/h3*19H,2-15H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC60H118O6S3Sn/c1-5-9-13-17-21-25-29-32-35-39-43-47-51-64-58(61)55-67-70(54-50-46-42-38-28-24-20-16-12-8-4,68-56-59(62)65-52-48-44-40-36-33-30-26-22-18-14-10-6-2)69-57-60(63)66-53-49-45-41-37-34-31-27-23-19-15-11-7-3/h5-57H2,1-4H3",C60H118O6S3Sn,,,,,,DLGNIWSPLHRNFI-UHFFFAOYSA-K,,,,,,,,,,,
100.073.614,280-998-4,83833-25-4,"Decyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate","decyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosan-1-oate",CCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCC,"InChI=1/2C13H26O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;2*1-3-4-2;/h2*16H,2-12H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC34H68O4S2Sn/c1-5-9-13-15-17-19-21-23-27-37-33(35)25-29-39-41(31-11-7-3,32-12-8-4)40-30-26-34(36)38-28-24-22-20-18-16-14-10-6-2/h5-32H2,1-4H3",C34H68O4S2Sn,,,,,,CGYJPORKAJHLAH-UHFFFAOYSA-L,,,,,,,,,,,
100.075.970,283-597-2,84682-34-8,"2,2',2''-[(methylsilylidyne)tris(oxy)]trisbenzoic acid","2,2',2''-[(methylsilanetriyl)tris(oxy)]tribenzoic acid",C[Si](Oc1ccccc1C(=O)O)(Oc2ccccc2C(=O)O)Oc3ccccc3C(=O)O,C[Si](Oc1ccccc1C(=O)O)(Oc2ccccc2C(=O)O)Oc3ccccc3C(=O)O,"InChI=1/C22H18O9Si/c1-32(29-17-11-5-2-8-14(17)20(23)24,30-18-12-6-3-9-15(18)21(25)26)31-19-13-7-4-10-16(19)22(27)28/h2-13H,1H3,(H,23,24)(H,25,26)(H,27,28)",C22H18O9Si,,,,,,QJYASQZIMJOMOG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.973,283-600-7,84682-37-1,"1,3-divinyldisiloxane-1,1,3,3-tetrayl tetraacetate","1,3-divinyldisiloxane-1,1,3,3-tetrayl tetraacetate",CC(=O)O[Si](OC(=O)C)(O[Si](OC(=O)C)(OC(=O)C)C=C)C=C,CC(=O)O[Si](OC(=O)C)(O[Si](OC(=O)C)(OC(=O)C)C=C)C=C,"InChI=1/C12H18O9Si2/c1-7-22(17-9(3)13,18-10(4)14)21-23(8-2,19-11(5)15)20-12(6)16/h7-8H,1-2H2,3-6H3",C12H18O9Si2,,,,,,XZDLTNHLQNCALH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.304,277-357-6,73287-57-7,"7,9-dichloro-6,20-dihydro-5H-naphtho[2,3-c]naphth[2',3':6,7]indolo[3,2-a]acridine-5,11,14,19,21-pentone","7,9-dichloro-6,20-dihydro-5H-naphtho[2,3-c]naphtho[2',3':6,7]indolo[3,2-a]acridine-5,11,14,19,21-pentone",Clc1cc(Cl)c2Nc3c4C(=O)c5ccccc5C(=O)c4c6[nH]c7c8C(=O)c9ccccc9C(=O)c8ccc7c6c3C(=O)c2c1,Clc1cc(Cl)c2Nc3c4C(=O)c5ccccc5C(=O)c4c6[nH]c7c8C(=O)c9ccccc9C(=O)c8ccc7c6c3C(=O)c2c1,"InChI=1/C35H14Cl2N2O5/c36-13-11-20-27(21(37)12-13)38-30-24(35(20)44)22-18-9-10-19-23(32(41)15-6-2-1-5-14(15)31(19)40)28(18)39-29(22)25-26(30)34(43)17-8-4-3-7-16(17)33(25)42/h1-12,39H,(H,38,44)",C35H14Cl2N2O5,,,,,,LHIDYMXUHZHLSG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.307,277-360-2,73287-67-9,4-hydroxy-1-methyl-3-[[4-(phenylazo)phenyl]azo]-2-quinolone,4-hydroxy-1-methyl-3-{[4-(phenyldiazenyl)phenyl]diazenyl}quinolin-2(1H)-one,OC=4c1ccccc1N(C)C(=O)C=4N=Nc3ccc(N=Nc2ccccc2)cc3,OC=4c1ccccc1N(C)C(=O)C=4N=Nc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C22H17N5O2/c1-27-19-10-6-5-9-18(19)21(28)20(22(27)29)26-25-17-13-11-16(12-14-17)24-23-15-7-3-2-4-8-15/h2-14,28H,1H3",C22H17N5O2,,,,,,DPCODSAZAZCDLC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.312,277-366-5,73297-02-6,"Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(n5)N(C)c6ccccc6,[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(n5)N(C)c6ccccc6,"InChI=1/C30H22ClN7O10S3.3Na/c1-38(18-8-3-2-4-9-18)30-34-28(31)33-29(35-30)32-22-15-19(49(40,41)42)13-17-14-23(50(43,44)45)25(26(39)24(17)22)37-36-21-12-11-16-7-5-6-10-20(16)27(21)51(46,47)48;;;/h2-15,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,32,33,34,35);;;/q;3*+1/p-3",C30H22ClN7O10S3.3Na,,,,,,WPUIWMHDFJHKBE-UHFFFAOYSA-K,,,,,,,,,,,
100.070.317,277-371-2,73301-95-8,2-[4-[(4-hydroxybiphenyl-3-yl)azo]phenoxy]ethyl hydrogen sulphate,2-{4-[(4-hydroxybiphenyl-3-yl)diazenyl]phenoxy}ethyl hydrogen sulfate,Oc2ccc(cc2N=Nc1ccc(OCCOS(O)(=O)=O)cc1)c3ccccc3,Oc2ccc(cc2N=Nc1ccc(OCCOS(O)(=O)=O)cc1)c3ccccc3,"InChI=1/C20H18N2O6S/c23-20-11-6-16(15-4-2-1-3-5-15)14-19(20)22-21-17-7-9-18(10-8-17)27-12-13-28-29(24,25)26/h1-11,14,23H,12-13H2,(H,24,25,26)",C20H18N2O6S,,,,,,DUIKFSGXLFVAMD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.319,277-373-3,73304-29-7,"N-[4-[2-(2,5-dioxo-4-phenylimidazolidin-4-yl)phenoxy]butyl]-7-(ß-D-galactopyranosyloxy)-2-oxo-2H-1-benzopyran-3-carboxamide","N-{4-[2-(2,5-dioxo-4-phenylimidazolidin-4-yl)phenoxy]butyl}-7-(beta-D-galactopyranosyloxy)-2-oxo-2H-chromene-3-carboxamide",OC[C@H]1O[C@@H](Oc2ccc3C=C(C(=O)NCCCCOc4ccccc4C5(NC(=O)NC5=O)c6ccccc6)C(=O)Oc3c2)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Oc2ccc3C=C(C(=O)NCCCCOc4ccccc4C5(NC(=O)NC5=O)c6ccccc6)C(=O)Oc3c2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C35H35N3O12/c39-18-26-27(40)28(41)29(42)32(50-26)48-21-13-12-19-16-22(31(44)49-25(19)17-21)30(43)36-14-6-7-15-47-24-11-5-4-10-23(24)35(20-8-2-1-3-9-20)33(45)37-34(46)38-35/h1-5,8-13,16-17,26-29,32,39-42H,6-7,14-15,18H2,(H,36,43)(H2,37,38,45,46)",C35H35N3O12,,,,,,RESQEYQRUVHAAG-YOFKTBMVSA-N,,,,,,,,,,,
100.070.320,277-374-9,73309-46-3,"[4-[[4-(diethylamino)phenyl][4-[(4-ethoxyphenyl)amino]-1-naphthyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride","N-[4-([4-(diethylamino)phenyl]{4-[(4-ethoxyphenyl)amino]-1-naphthyl}methylene)cyclohexa-2,5-dien-1-ylidene]-N-ethylethanaminium chloride",[Cl-].CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)CC)C=C3)c4ccc(cc4)N(CC)CC)c5ccccc25)cc1,[Cl-].CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)CC)C=C3)c4ccc(cc4)N(CC)CC)c5ccccc25)cc1,"InChI=1/C39H43N3O.ClH/c1-6-41(7-2)32-21-15-29(16-22-32)39(30-17-23-33(24-18-30)42(8-3)9-4)37-27-28-38(36-14-12-11-13-35(36)37)40-31-19-25-34(26-20-31)43-10-5;/h11-28H,6-10H2,1-5H3;1H",C39H44N3O.Cl,,,,,,HLSSMVIOSHNMBX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.321,277-375-4,73309-47-4,"Disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bisnaphthalene-1-sulphonate","disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)didiazene-2,1-diyl]dinaphthalene-1-sulfonate",[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O,[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O,"InChI=1/C26H18N4O8S2.2Na/c31-23-14-24(32)22(30-28-20-10-12-26(40(36,37)38)18-8-4-2-6-16(18)20)13-21(23)29-27-19-9-11-25(39(33,34)35)17-7-3-1-5-15(17)19;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C26H18N4O8S2.2Na,,,,,,XWZDSUWTMPTODR-UHFFFAOYSA-L,,,,,,,,,,,
100.070.995,278-117-3,75199-18-7,"Trisodium 4-amino-3-[[4-(aminosulphonyl)phenyl]azo]-6-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","trisodium 4-amino-6-({5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl}diazenyl)-5-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5c(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(N)(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(F)nc5F,[Na+].[Na+].[Na+].Clc5c(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(N)(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(F)nc5F,"InChI=1/C26H18ClF2N9O12S4.3Na/c27-19-24(28)33-26(29)34-25(19)32-12-3-6-15(52(42,43)44)14(9-12)36-38-22-17(54(48,49)50)8-10-7-16(53(45,46)47)21(20(30)18(10)23(22)39)37-35-11-1-4-13(5-2-11)51(31,40)41;;;/h1-9,39H,30H2,(H2,31,40,41)(H,32,33,34)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",C26H18ClF2N9O12S4.3Na,,,,,,WAADIRALQLGNHV-UHFFFAOYSA-K,,,,,,,,,,,
100.046.261,250-904-6,32046-51-8,2-methyl-5-nitrobenzoxazole,"2-methyl-5-nitro-1,3-benzoxazole",Cc1oc2ccc(cc2n1)[N+](=O)[O-],Cc1oc2ccc(cc2n1)[N+](=O)[O-],"InChI=1/C8H6N2O3/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3",C8H6N2O3,,,,,,UCZSXRHVXKAGFU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.264,250-907-2,32060-64-3,"4-benzoyl-3-hydroxy-1,2-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","4-benzoyl-3-hydroxy-1,2-phenylene bis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",Oc1c(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)ccc1C(=O)c6ccccc6,Oc1c(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)ccc1C(=O)c6ccccc6,"InChI=1/C33H18N4O10S2/c34-36-24-15-12-19-21(30(24)39)8-4-10-27(19)48(42,43)46-26-17-14-23(29(38)18-6-2-1-3-7-18)32(41)33(26)47-49(44,45)28-11-5-9-22-20(28)13-16-25(37-35)31(22)40/h1-17,41H",C33H18N4O10S2,,,,,,HYDGIZNWCBVJIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.266,250-909-3,32064-72-5,Non-2-en-4-one,non-2-en-4-one,CCCCCC(=O)C=CC,CCCCCC(=O)C=CC,"InChI=1/C9H16O/c1-3-5-6-8-9(10)7-4-2/h4,7H,3,5-6,8H2,1-2H3",C9H16O,,,,,,WTAYWTBOEQYGOG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.268,250-911-4,32072-96-1,Hexadecenylsuccinic anhydride,"3-hexadec-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCCCCCCCCCC,O=C1OC(=O)CC1C=CCCCCCCCCCCCCCC,"InChI=1/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h15-16,18H,2-14,17H2,1H3",C20H34O3,,,,,,RSPWVGZWUBNLQU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.269,250-913-5,32073-22-6,"Cumene, monosulpho derivative, sodium salt",sodium 2-isopropylbenzenesulfonate,[Na+].CC(C)c1ccccc1S(=O)(=O)[O-],[Na+].CC(C)c1ccccc1S(=O)(=O)[O-],"InChI=1/C9H12O3S.Na/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1",C9H12O3S.Na,,,,,,GIPRGFRQMWSHAK-UHFFFAOYSA-M,,,,,,,,,,,
100.046.275,250-919-8,32093-27-9,Dilithium N-acetyl-L-glutamate,dilithium 2-acetamidopentanedioate,[Li+].[Li+].CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[Li+].[Li+].CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C7H11NO5.2Li/c1-4(9)8-5(7(12)13)2-3-6(10)11;;/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2",C7H11NO5.2Li,,,,,,DHNAHXJWGNCUGP-XRIGFGBMSA-L,,,,,,,,,,,
100.046.277,250-921-9,32111-34-5,4-(2-pyridyl)benzonitrile,4-pyridin-2-ylbenzonitrile,N#Cc1ccc(cc1)c2ccccn2,N#Cc1ccc(cc1)c2ccccn2,InChI=1/C12H8N2/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H,C12H8N2,,,,,,CCMRFUCSFRRPNT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.283,250-928-7,32134-06-8,Sodium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate,sodium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](phenyl)acetate,[Na+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)c1ccccc1,[Na+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)c1ccccc1,"InChI=1/C14H17NO4.Na/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1",C14H17NO4.Na,,,,,,BKGQOIIXRWMLPJ-BTQNPOSSSA-M,,,,,,,,,,,
100.046.284,250-929-2,32136-81-5,1-(4-hydroxyphenyl)-2-methoxyethan-1-one,1-(4-hydroxyphenyl)-2-methoxyethanone,COCC(=O)c1ccc(O)cc1,COCC(=O)c1ccc(O)cc1,"InChI=1/C9H10O3/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3",C9H10O3,,,,,,HUXGFSJRCMJOAK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.285,250-930-8,32138-95-7,"Tris(1-hydroxy-1H-pyridine-2-thionato-O,S)aluminium",aluminum tris(2-thioxopyridin-1(2H)-olate),S=C1C=CC=CN1O[Al](ON2C=CC=CC2=S)ON3C=CC=CC3=S,S=C1C=CC=CN1O[Al](ON2C=CC=CC2=S)ON3C=CC=CC3=S,InChI=1/3C5H4NOS.Al/c3*7-6-4-2-1-3-5(6)8;/h3*1-4H;/q3*-1;+3/rC15H12AlN3O3S3/c23-13-7-1-4-10-17(13)20-16(21-18-11-5-2-8-14(18)24)22-19-12-6-3-9-15(19)25/h1-12H,C15H12AlN3O3S3,,,,,,TVOHFLHWXJEMMD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.287,250-932-9,32151-96-5,1-ethyl-4-[3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]quinolinium iodide,"1-ethyl-4-[3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium iodide",[I-].CC[n+]4ccc(C=CC=C2Oc1ccccc1N2CC)c3ccccc34,[I-].CC[n+]4ccc(C=CC=C2Oc1ccccc1N2CC)c3ccccc34,"InChI=1/C23H23N2O.HI/c1-3-24-17-16-18(19-11-5-6-12-20(19)24)10-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2O.I,,,,,,ZIENXIAZWJNLEK-UHFFFAOYSA-M,,,,,,,,,,,
100.046.288,250-933-4,32154-05-5,"(isopropylidene)bis(4,1-phenyleneoxyethylene) dilaurate","propane-2,2-diylbis(4,1-phenyleneoxyethane-2,1-diyl) didodecanoate",CCCCCCCCCCCC(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)CCCCCCCCCCC)cc2,CCCCCCCCCCCC(=O)OCCOc1ccc(cc1)C(C)(C)c2ccc(OCCOC(=O)CCCCCCCCCCC)cc2,"InChI=1/C43H68O6/c1-5-7-9-11-13-15-17-19-21-23-41(44)48-35-33-46-39-29-25-37(26-30-39)43(3,4)38-27-31-40(32-28-38)47-34-36-49-42(45)24-22-20-18-16-14-12-10-8-6-2/h25-32H,5-24,33-36H2,1-4H3",C43H68O6,,,,,,DPZRLVKUOYEOLE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.149,269-485-6,68252-85-7,"5-[[4-[(2-bromo-1-oxoallyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-({4-[(2-bromoacryloyl)amino]benzoyl}amino)-3-({5-[(2-bromoacryloyl)amino]-2-sulfophenyl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid",BrC(=C)C(=O)Nc1ccc(cc1)C(=O)Nc3cc(cc4cc(c(N=Nc2cc(NC(=O)C(Br)=C)ccc2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O,BrC(=C)C(=O)Nc1ccc(cc1)C(=O)Nc3cc(cc4cc(c(N=Nc2cc(NC(=O)C(Br)=C)ccc2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C29H21Br2N5O13S3/c1-13(30)27(38)32-17-5-3-15(4-6-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)7-8-22(20)51(44,45)46/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)",C29H21Br2N5O13S3,,,,,,YCNUFQQLPRQJHX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.152,269-488-2,68258-64-0,"Benzoic acid, compound with 1-aminopropan-2-ol (1:1)",1-aminopropan-2-ol benzoate (salt),CC(O)CN.OC(=O)c1ccccc1,CC(O)CN.OC(=O)c1ccccc1,"InChI=1/C7H6O2.C3H9NO/c8-7(9)6-4-2-1-3-5-6;1-3(5)2-4/h1-5H,(H,8,9);3,5H,2,4H2,1H3",C7H6O2.C3H9NO,,,,,,LAMQQBZIVULKMS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.155,269-491-9,68258-69-5,"Oleic acid, compound with (o-hydroxybenzylidene)guanidine (1:1)",octadec-9-enoic acid - 1-(2-hydroxybenzylidene)guanidine (1:1),Oc1ccccc1C=NC(N)=N.CCCCCCCC\\C=C/CCCCCCCC(O)=O,Oc1ccccc1C=NC(N)=N.CCCCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1/C18H34O2.C8H9N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-8(10)11-5-6-3-1-2-4-7(6)12/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-5,12H,(H3,9,10)",C18H34O2.C8H9N3O,,,,,,SVIJLKDZKXTZCO-KVVVOXFISA-N,,,,,,,,,,,
100.063.159,269-496-6,68258-90-2,Heptachlorocyclopentane,"1,1,2,2,3,3,4-heptachlorocyclopentane",ClC1CC(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl,ClC1CC(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl,"InChI=1/C5H3Cl7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2",C5H3Cl7,,,,,,NVYPPYPCOVREOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.161,269-498-7,68258-94-6,"2-(2,6-dimethylhepta-1,5-dienyl)-4,4,6-trimethyl-1,3-dioxane","2-(2,6-dimethylhepta-1,5-dien-1-yl)-4,4,6-trimethyl-1,3-dioxane",C/C(C)=C\\CCC(C)=CC1OC(C)CC(C)(C)O1,C/C(C)=C\CCC(C)=CC1OC(C)CC(C)(C)O1,"InChI=1/C16H28O2/c1-12(2)8-7-9-13(3)10-15-17-14(4)11-16(5,6)18-15/h8,10,14-15H,7,9,11H2,1-6H3",C16H28O2,,,,,,GBKILRGXNOCUTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.167,269-504-8,68259-01-8,(2-amino-2-oxoethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium chloride,"N-(2-amino-2-oxoethyl)-3-(dodecanoylamino)-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)N,[Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)N,"InChI=1/C19H39N3O2.ClH/c1-4-5-6-7-8-9-10-11-12-14-19(24)21-15-13-16-22(2,3)17-18(20)23;/h4-17H2,1-3H3,(H2-,20,21,23,24);1H",C19H40N3O2.Cl,,,,,,KRAQKWKITJOQEO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.180,269-518-4,68259-17-6,"Benzene-1,2,3,5-tetracarbonyl tetrachloride","benzene-1,2,3,5-tetracarbonyl tetrachloride",ClC(=O)c1cc(C(=O)Cl)c(C(=O)Cl)c(c1)C(=O)Cl,ClC(=O)c1cc(C(=O)Cl)c(C(=O)Cl)c(c1)C(=O)Cl,InChI=1/C10H2Cl4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)5(2-3)9(13)17/h1-2H,C10H2Cl4O4,,,,,,MANRPJCKLHWREF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.181,269-520-5,68259-18-7,"N,N-diethyl-6,8-dimethyl-9H-fluoren-3-amine","N,N-diethyl-6,8-dimethyl-9H-fluoren-3-amine",CCN(CC)c1ccc2Cc3c(C)cc(C)cc3c2c1,CCN(CC)c1ccc2Cc3c(C)cc(C)cc3c2c1,"InChI=1/C19H23N/c1-5-20(6-2)16-8-7-15-11-17-14(4)9-13(3)10-19(17)18(15)12-16/h7-10,12H,5-6,11H2,1-4H3",C19H23N,,,,,,RIZOSLSFFFSXDV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.122,281-560-5,83968-80-3,"1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium dihydrogen phosphate","1-ethyl-2-[1-(2-hydroxyethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl]benzo[cd]indolium dihydrogen phosphate",CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.[O-]P(=O)([O-])[O-],CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.[O-]P(=O)([O-])[O-],"InChI=1/C27H31N2O.H3O4P/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-5(2,3)4/h6-13,16,18,30H,5,14-15,17H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C27H31N2O.H2O4P,,,,,,NNZCYVXNLAUTBH-UHFFFAOYSA-K,,,,,,,,,,,
100.075.750,283-353-5,84604-70-6,"1-(2,4-dichlorophenyl)cyclopropanecarboxylic acid","1-(2,4-dichlorophenyl)cyclopropanecarboxylic acid",OC(=O)C1(CC1)c2ccc(Cl)cc2Cl,OC(=O)C1(CC1)c2ccc(Cl)cc2Cl,"InChI=1/C10H8Cl2O2/c11-6-1-2-7(8(12)5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)",C10H8Cl2O2,,,,,,MIBWNJWOBDYPRS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.754,283-357-7,84604-74-0,"1H-benzotriazole, compound with morpholine(1:1)",1H-benzotriazole - morpholine (1:1),C1COCCN1.c2ccc3[nH]nnc3c2,C1COCCN1.c2ccc3[nH]nnc3c2,"InChI=1/C6H5N3.C4H9NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-6-4-2-5-1/h1-4H,(H,7,8,9);5H,1-4H2",C6H5N3.C4H9NO,,,,,,OZIKLUQNNGASRY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.755,283-358-2,84604-75-1,"Dibutylamine, compound with 1H-benzotriazole (1:1)",N-butylbutan-1-amine - 1H-benzotriazole (1:1),CCCCNCCCC.c1ccc2[nH]nnc2c1,CCCCNCCCC.c1ccc2[nH]nnc2c1,"InChI=1/C8H19N.C6H5N3/c1-3-5-7-9-8-6-4-2;1-2-4-6-5(3-1)7-9-8-6/h9H,3-8H2,1-2H3;1-4H,(H,7,8,9)",C8H19N.C6H5N3,,,,,,LIHWQRIQQMWQOH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.756,283-359-8,84604-76-2,"Barium [1,1'-biphenyl]-2-olate",barium dibiphenyl-2-olate,[Ba+2].[O-]c1ccccc1c2ccccc2.[O-]c3ccccc3c4ccccc4,[Ba+2].[O-]c1ccccc1c2ccccc2.[O-]c3ccccc3c4ccccc4,"InChI=1/2C12H10O.Ba/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h2*1-9,13H;/q;;+2/p-2",C12H10O.1/2Ba,,,,,,HVAFXDMPOZLPCX-UHFFFAOYSA-L,,,,,,,,,,,
100.073.615,281-001-5,83833-26-5,"Decyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate","decyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosan-1-oate",CCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)OCCCCCCCCCC,"InChI=1/2C13H26O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;2*1-3-5-7-8-6-4-2;/h2*16H,2-12H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC42H84O4S2Sn/c1-5-9-13-17-21-23-25-29-35-45-41(43)33-37-47-49(39-31-27-19-15-11-7-3,40-32-28-20-16-12-8-4)48-38-34-42(44)46-36-30-26-24-22-18-14-10-6-2/h5-40H2,1-4H3",C42H84O4S2Sn,,,,,,HJGSUQJMSAOJKO-UHFFFAOYSA-L,,,,,,,,,,,
100.072.350,279-609-0,80879-55-6,"4,5-bis(hexyloxy)-2-nitrobenzaldehyde","4,5-bis(hexyloxy)-2-nitrobenzaldehyde",CCCCCCOc1cc(C=O)c(cc1OCCCCCC)[N+](=O)[O-],CCCCCCOc1cc(C=O)c(cc1OCCCCCC)[N+](=O)[O-],"InChI=1/C19H29NO5/c1-3-5-7-9-11-24-18-13-16(15-21)17(20(22)23)14-19(18)25-12-10-8-6-4-2/h13-15H,3-12H2,1-2H3",C19H29NO5,,,,,,QAHWYUZOCUJCSW-UHFFFAOYSA-N,,,,,,,,,,,
100.072.353,279-612-7,80879-62-5,"Bis[5-benzyl-2,3,4,5-tetrahydro-2-methyl-1H-pyrido[4,3-b]indole] sulphate","5-benzyl-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole sulfate (2:1)",CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4.CN5CCc6c(C5)c7ccccc7n6Cc8ccccc8.OS(=O)(=O)O,CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4.CN5CCc6c(C5)c7ccccc7n6Cc8ccccc8.OS(=O)(=O)O,"InChI=1/2C19H20N2.H2O4S/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;1-5(2,3)4/h2*2-10H,11-14H2,1H3;(H2,1,2,3,4)",C19H20N2.1/2H2O4S,,,,,,ZHDZSLPFJHQROD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.355,279-614-8,80879-64-7,"Strychnidin-10-one, compd. with methylarsonate (1:1)",-,C[As](=O)([O-])[O-].O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,C[As](=O)([O-])[O-].O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2.CH5AsO3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-2(3,4)5/h1-5,13,16-17,19-20H,6-11H2;1H3,(H2,3,4,5)/p-2",C21H22N2O2.CH5AsO3,,,,,,BMGIVNDVKUXRPC-ZEYGOCRCSA-L,,,,,,,,,,,
100.072.365,279-625-8,80912-78-3,"cis-1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]cyclohexanecarbonitrile","1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]cyclohexanecarbonitrile",Fc1ccc(cc1)N2CNC(=O)C23CCN(CC3)[C@@H]4CC[C@@](CC4)(C#N)c5ccc(F)cc5,Fc1ccc(cc1)N2CNC(=O)C23CCN(CC3)[C@@H]4CC[C@@](CC4)(C#N)c5ccc(F)cc5,"InChI=1/C26H28F2N4O/c27-20-3-1-19(2-4-20)25(17-29)11-9-22(10-12-25)31-15-13-26(14-16-31)24(33)30-18-32(26)23-7-5-21(28)6-8-23/h1-8,22H,9-16,18H2,(H,30,33)",C26H28F2N4O,,,,,,OHTWIVZURSJMBO-RZFKFIIISA-N,,,,,,,,,,,
100.074.001,281-427-1,83949-67-1,"2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-(2-{4-[(2-chloroethyl)(ethyl)amino]-2-methylphenyl}vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",CCN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]P(=O)([O-])[O-],CCN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]P(=O)([O-])[O-],"InChI=1/C24H30ClN2.H3O4P/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;1-5(2,3)4/h7-14,17H,6,15-16H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3",C24H30ClN2.H2O4P,,,,,,QNJLKYJFZLHAAP-UHFFFAOYSA-K,,,,,,,,,,,
100.074.002,281-428-7,83949-68-2,"1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium dihydrogen phosphate","1,3,3-trimethyl-2-[methyl(4-methylphenyl)carbonohydrazonoyl]-3H-indolium dihydrogen phosphate",[H+].[H+].[O-]P([O-])([O-])=O.Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[H+].[H+].[O-]P([O-])([O-])=O.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3.H3O4P.2H2/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5(2,3)4;;/h6-14H,1-5H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3",C20H24N3.H2O4P,,,,,,HTWQLVRJCFBCPY-UHFFFAOYSA-M,,,,,,,,,,,
100.074.003,281-429-2,83949-69-3,"1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium hydrogen sulphate","1,3,3-trimethyl-2-[methyl(4-methylphenyl)carbonohydrazonoyl]-3H-indolium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[H+].[O-]S([O-])(=O)=O.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3.H2O4S.H2/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5(2,3)4;/h6-14H,1-5H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C20H24N3.HO4S,,,,,,HXYLRXMPYFJOGA-UHFFFAOYSA-M,,,,,,,,,,,
100.074.010,281-437-6,83949-77-3,"1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium acetate","1,3,3-trimethyl-2-[methyl(phenyl)carbonohydrazonoyl]-3H-indolium acetate",[O-]C(C)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,[O-]C(C)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,"InChI=1/C19H22N3.C2H4O2/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-2(3)4/h5-14H,1-4H3;1H3,(H,3,4)/q+1;/p-1",C19H22N3.C2H3O2,,,,,,DQDDURVSCZLBJT-UHFFFAOYSA-M,,,,,,,,,,,
100.074.011,281-438-1,83949-78-4,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium acetate","1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium acetate",CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C.CC(=O)[O-],CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.CC(=O)[O-],"InChI=1/C22H25N2.C2H4O2/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-2(3)4/h5-14,16H,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C22H25N2.C2H3O2,,,,,,MEXQTBQULPYKTF-UHFFFAOYSA-M,,,,,,,,,,,
100.070.324,277-379-6,73309-52-1,2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl isobutyrate,2-[(2-cyanoethyl){4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}amino]ethyl 2-methylpropanoate,CC(C)C(=O)OCCN(CCC#N)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,CC(C)C(=O)OCCN(CCC#N)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C22H22N6O4/c1-16(2)22(29)32-13-12-27(11-3-10-23)19-6-4-18(5-7-19)25-26-21-9-8-20(28(30)31)14-17(21)15-24/h4-9,14,16H,3,11-13H2,1-2H3",C22H22N6O4,,,,,,GNYGWUKVNULGTI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.330,277-385-9,73334-07-3,Iopromide,"N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methylisophthalamide",COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I,COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I,"InChI=1/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)",C18H24I3N3O8,,,,,,DGAIEPBNLOQYER-UHFFFAOYSA-N,Positive,EA024201|EA024202|EA024203|EA024204|EA024205|EA024206|EA024207|EA024208|EA024209|EA024210|EA024211|EA024212|EA024214,[M+H]+,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|CID35,773.8665:572.9012:558.8855|791.8767:572.9015:558.8866|372.9682:558.8861:413.9712|317.9257:299.9153:423.7967|317.9258:299.9154:255.9253|317.9261:299.9151:117.0208|89.026:117.021:101.0262|572.9007:791.8776:558.8849|372.9676:386.9833:558.885|317.9255:299.915:423.7963|317.9257:299.9151:313.9306|317.9257:299.915:271.9204|773.8657:572.9005:558.8848,Eawag,,,,,
100.063.109,269-441-6,68239-28-1,"2,4,4-trichloro-3-(morpholin-4-yl)-2-cyclobuten-1-one","2,4,4-trichloro-3-morpholin-4-ylcyclobut-2-en-1-one",ClC1=C(N2CCOCC2)C(Cl)(Cl)C1=O,ClC1=C(N2CCOCC2)C(Cl)(Cl)C1=O,"InChI=1/C8H8Cl3NO2/c9-5-6(8(10,11)7(5)13)12-1-3-14-4-2-12/h1-4H2",C8H8Cl3NO2,,,,,,YKTVEZMNYLQTDA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.122,269-455-2,68239-62-3,"1-(2-chlorophenyl)-3-methyl-1H-pyrazole-4,5-dione 4-[(4-dodecylphenyl)hydrazone]","2-(2-chlorophenyl)-4-[(4-dodecylphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one",CCCCCCCCCCCCc1ccc(cc1)NN=C3C(\\C)=N/N(c2ccccc2Cl)C3=O,CCCCCCCCCCCCc1ccc(cc1)NN=C3C(\C)=N/N(c2ccccc2Cl)C3=O,"InChI=1/C28H37ClN4O/c1-3-4-5-6-7-8-9-10-11-12-15-23-18-20-24(21-19-23)30-31-27-22(2)32-33(28(27)34)26-17-14-13-16-25(26)29/h13-14,16-21,30H,3-12,15H2,1-2H3",C28H37ClN4O,,,,,,WREJJGGTDCJNFA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.123,269-456-8,68239-63-4,4-[(4-chloro-2-methylphenyl)azo]-N-(4-dodecylphenyl)-3-hydroxynaphthalene-2-carboxamide,4-[(4-chloro-2-methylphenyl)diazenyl]-N-(4-dodecylphenyl)-3-hydroxy-2-naphthamide,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(CCCCCCCCCCCC)cc1)c2O)cc4,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(CCCCCCCCCCCC)cc1)c2O)cc4,"InChI=1/C36H42ClN3O2/c1-3-4-5-6-7-8-9-10-11-12-15-27-18-21-30(22-19-27)38-36(42)32-25-28-16-13-14-17-31(28)34(35(32)41)40-39-33-23-20-29(37)24-26(33)2/h13-14,16-25,41H,3-12,15H2,1-2H3,(H,38,42)",C36H42ClN3O2,,,,,,YGDGODHUYDBXGM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.126,269-459-4,68239-66-7,"1-[2-(acetoxy)-3-sulphonatopropyl]-5,6-dichloro-3-ethyl-2-methyl-1H-benzimidazolium","2-acetoxy-3-(5,6-dichloro-3-ethyl-2-methyl-2,3-dihydro-1H-benzimidazol-1-ium-1-yl)propane-1-sulfonate",CCN1C(C)[NH+](CC(CS(=O)(=O)[O-])OC(=O)C)c2cc(Cl)c(Cl)cc12,CCN1C(C)[NH+](CC(CS(=O)(=O)[O-])OC(=O)C)c2cc(Cl)c(Cl)cc12,"InChI=1/C15H20Cl2N2O5S/c1-4-18-9(2)19(15-6-13(17)12(16)5-14(15)18)7-11(24-10(3)20)8-25(21,22)23/h5-6,9,11H,4,7-8H2,1-3H3,(H,21,22,23)",C15H18Cl2N2O5S,,,,,,YLCXWBUMKDNCLE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.130,269-464-1,68239-71-4,"N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-(3-pentadecylphenoxy)butyramide","N-(4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)-2-(3-pentadecylphenoxy)butanamide",CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Nc2ccc(Cl)c(NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c2)c1,CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)Nc2ccc(Cl)c(NC3=NN(C(=O)C3)c4c(Cl)cc(Cl)cc4Cl)c2)c1,"InChI=1/C40H50Cl4N4O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-28-19-17-20-31(23-28)51-36(4-2)40(50)45-30-21-22-32(42)35(26-30)46-37-27-38(49)48(47-37)39-33(43)24-29(41)25-34(39)44/h17,19-26,36H,3-16,18,27H2,1-2H3,(H,45,50)(H,46,47)",C40H50Cl4N4O3,,,,,,XICDCGUXWHQKLO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.136,269-470-4,68239-77-0,"1,4-bis[(2,4-dimethylphenyl)amino]anthraquinone","1,4-bis[(2,4-dimethylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2ccc(Nc3ccc(C)cc3C)c4C(=O)c5ccccc5C(=O)c24)c(C)c1,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3C)c4C(=O)c5ccccc5C(=O)c24)c(C)c1,"InChI=1/C30H26N2O2/c1-17-9-11-23(19(3)15-17)31-25-13-14-26(32-24-12-10-18(2)16-20(24)4)28-27(25)29(33)21-7-5-6-8-22(21)30(28)34/h5-16,31-32H,1-4H3",C30H26N2O2,,,,,,CKAHGQQRLOXOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.096,281-531-7,83968-51-8,"Disodium 5-[[5-[(3-chloro-2-hydroxy-5-sulphonatophenyl)azo]-2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]salicylate","disodium 5-({5-[(3-chloro-2-hydroxy-5-sulfonatophenyl)diazenyl]-2,4-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].Oc4c(N=Nc3cc(N=Nc1cc(C([O-])=O)c(O)cc1)c(O)c(N=Nc2ccc(cc2)[N+]([O-])=O)c3O)cc(cc4Cl)S([O-])(=O)=O,[Na+].[Na+].Oc4c(N=Nc3cc(N=Nc1cc(C([O-])=O)c(O)cc1)c(O)c(N=Nc2ccc(cc2)[N+]([O-])=O)c3O)cc(cc4Cl)S([O-])(=O)=O,"InChI=1/C25H16ClN7O11S.2Na/c26-16-8-14(45(42,43)44)9-17(22(16)35)30-31-19-10-18(29-28-12-3-6-20(34)15(7-12)25(38)39)23(36)21(24(19)37)32-27-11-1-4-13(5-2-11)33(40)41;;/h1-10,34-37H,(H,38,39)(H,42,43,44);;/q;2*+1/p-2",C25H16ClN7O11S.2Na,,,,,,KBJHMDLUWPFTBA-UHFFFAOYSA-L,,,,,,,,,,,
100.046.292,250-938-1,32162-27-9,"(1a,2ß,4ß,6a)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane","2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane",CC1(C)C2CC3OC3(C)C1C2,CC1(C)C2CC3OC3(C)C1C2,"InChI=1/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3",C10H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5329,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.292,NQFUSWIGRKFAHK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.293,250-939-7,32162-29-1,"(1a,2a,5a)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]","6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]",CC1(C)[C@H]2CC[C@]3(CO3)[C@@H]1C2,CC1(C)[C@H]2CC[C@]3(CO3)[C@@H]1C2,"InChI=1/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3",C10H16O,,,,,,OUXAABAEPHHZPC-XKSSXDPKSA-N,,,,,,,,,,,
100.070.217,277-261-4,73056-39-0,Tribromo(2-bromoethyl)benzene,"1,2,3-tribromo-4-(2-bromoethyl)benzene",BrCCc1ccc(Br)c(Br)c1Br,BrCCc1ccc(Br)c(Br)c1Br,"InChI=1/C8H6Br4/c9-4-3-5-1-2-6(10)8(12)7(5)11/h1-2H,3-4H2",C8H6Br4,,,,,,MEKQOTKEKRIAOX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.221,277-266-1,73067-75-1,"N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]bis(dodecanamide)",N-[6-{[3-(dimethylamino)propyl]amino}-5-(dodecanoylamino)-6-oxohexyl]dodecanamide,CCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCC)C(=O)NCCCN(C)C,CCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCC)C(=O)NCCCN(C)C,"InChI=1/C35H70N4O3/c1-5-7-9-11-13-15-17-19-21-27-33(40)36-29-24-23-26-32(35(42)37-30-25-31-39(3)4)38-34(41)28-22-20-18-16-14-12-10-8-6-2/h32H,5-31H2,1-4H3,(H,36,40)(H,37,42)(H,38,41)",C35H70N4O3,,,,,,JMWRFLHXLKLCIX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.231,277-277-1,73075-42-0,"1-methyl-2-[2-[(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl)-1-butenyl)naphtho[1,2-d]thiazolium bromide","1-methyl-2-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium bromide",[Br-].C[n+]4c5c6ccccc6ccc5sc4C=C(CC)C=C3Sc2ccc1ccccc1c2N3C,[Br-].C[n+]4c5c6ccccc6ccc5sc4C=C(CC)C=C3Sc2ccc1ccccc1c2N3C,"InChI=1/C29H25N2S2.BrH/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27;/h5-18H,4H2,1-3H3;1H/q+1;/p-1",C29H25N2S2.Br,,,,,,AKFPWVROJDSWFH-UHFFFAOYSA-M,,,,,,,,,,,
100.070.232,277-278-7,73077-91-5,Allyl 6-hydroxyhexanoate,allyl 6-hydroxyhexanoate,OCCCCCC(=O)OCC=C,OCCCCCC(=O)OCC=C,"InChI=1/C9H16O3/c1-2-8-12-9(11)6-4-3-5-7-10/h2,10H,1,3-8H2",C9H16O3,,,,,,UXXFJYILXSQZPV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.235,277-281-3,73094-38-9,"(+)-1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazolium nitrate","3-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-ium nitrate",[O-][N+](=O)[O-].Clc1ccc(COC(C[n+]2cc[nH]c2)c3ccc(Cl)cc3Cl)cc1,[O-][N+](=O)[O-].Clc1ccc(COC(C[n+]2cc[nH]c2)c3ccc(Cl)cc3Cl)cc1,"InChI=1/C18H15Cl3N2O.NO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;/q;-1/p+1",C18H15Cl3N2O.HNO3,,,,,,OKHLIYJAUVITMY-UHFFFAOYSA-O,,,,,,,,,,,
100.052.340,257-593-6,52000-83-6,"6,7-dichloro-2-(5,7-dichloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one","6,7-dichloro-2-(5,7-dichloro-4-methyl-3-oxo-1-benzothiophen-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one",O=C3c4ccc(Cl)c(Cl)c4NC3=C2Sc1c(Cl)cc(Cl)c(C)c1C2=O,O=C3c4ccc(Cl)c(Cl)c4NC3=C2Sc1c(Cl)cc(Cl)c(C)c1C2=O,"InChI=1/C17H7Cl4NO2S/c1-5-8(19)4-9(20)16-10(5)15(24)17(25-16)13-14(23)6-2-3-7(18)11(21)12(6)22-13/h2-4,22H,1H3",C17H7Cl4NO2S,,,,,,WHDFJTSZJFSZJI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.345,257-598-3,52006-45-8,Isohexadecyl isooctadecanoate,14-methylpentadecyl 16-methylheptadecanoate,CC(C)CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C,"InChI=1/C34H68O2/c1-32(2)28-24-20-16-12-8-5-6-10-14-18-22-26-30-34(35)36-31-27-23-19-15-11-7-9-13-17-21-25-29-33(3)4/h32-33H,5-31H2,1-4H3",C34H68O2,,,,,,DHGBAFGZLVRESL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.353,257-607-0,52018-28-7,"2,5-dimethoxy-4-(morpholin-4-yl)benzenediazonium tetrafluoroborate","2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate",COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.F[B-](F)(F)F,COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.F[B-](F)(F)F,"InChI=1/C12H16N3O3.BF4/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;2-1(3,4)5/h7-8H,3-6H2,1-2H3;/q+1;-1",C12H16N3O3.BF4,,,,,,SRNKONGUKDFCLV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.357,257-611-2,52022-77-2,m-nitrophenethyl alcohol,2-(3-nitrophenyl)ethanol,OCCc1cccc(c1)[N+](=O)[O-],OCCc1cccc(c1)[N+](=O)[O-],"InChI=1/C8H9NO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2",C8H9NO3,,,,,,PWZWTSYUZQZFKE-UHFFFAOYSA-N,,,,,,,,,,,
100.052.363,257-618-0,52030-95-2,Dioleyl malate,dioctadec-9-en-1-yl malate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)CC(O)C(=O)OCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCCOC(=O)CC(O)C(=O)OCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-39(42)37-38(41)40(43)45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38,41H,3-16,21-37H2,1-2H3",C40H74O5,,,,,,MBPUYGZEDYDAHA-CLFAGFIQSA-N,,,,,,,,,,,
100.052.369,257-624-3,52047-59-3,2-(4-dodecylphenyl)-1H-indole,2-(4-dodecylphenyl)-1H-indole,CCCCCCCCCCCCc1ccc(cc1)c2cc3ccccc3[nH]2,CCCCCCCCCCCCc1ccc(cc1)c2cc3ccccc3[nH]2,"InChI=1/C26H35N/c1-2-3-4-5-6-7-8-9-10-11-14-22-17-19-23(20-18-22)26-21-24-15-12-13-16-25(24)27-26/h12-13,15-21,27H,2-11,14H2,1H3",C26H35N,,,,,,BTFUHFBRQZAJRT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.757,283-360-3,84604-77-3,Heptyl 4-(dimethylamino)benzoate,heptyl 4-(dimethylamino)benzoate,CCCCCCCOC(=O)c1ccc(cc1)N(C)C,CCCCCCCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C16H25NO2/c1-4-5-6-7-8-13-19-16(18)14-9-11-15(12-10-14)17(2)3/h9-12H,4-8,13H2,1-3H3",C16H25NO2,,,,,,IMNGOUVKEPRZHR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.761,283-365-0,84604-81-9,Sodium (4-hydroxyphenyl)[(phenylacetyl)amino]acetate,sodium (4-hydroxyphenyl)[(phenylacetyl)amino]acetate,[Na+].Oc1ccc(cc1)C(NC(=O)Cc2ccccc2)C(=O)[O-],[Na+].Oc1ccc(cc1)C(NC(=O)Cc2ccccc2)C(=O)[O-],"InChI=1/C16H15NO4.Na/c18-13-8-6-12(7-9-13)15(16(20)21)17-14(19)10-11-4-2-1-3-5-11;/h1-9,15,18H,10H2,(H,17,19)(H,20,21);/q;+1/p-1",C16H15NO4.Na,,,,,,SSQICCSBOZHERJ-UHFFFAOYSA-M,,,,,,,,,,,
100.075.762,283-366-6,84604-82-0,Sodium (R)-(4-hydroxyphenyl)(phenylacetamido)acetate,sodium (4-hydroxyphenyl)[(phenylacetyl)amino]acetate,[Na+].Oc1ccc(cc1)[C@@H](NC(=O)Cc2ccccc2)C(=O)[O-],[Na+].Oc1ccc(cc1)[C@@H](NC(=O)Cc2ccccc2)C(=O)[O-],"InChI=1/C16H15NO4.Na/c18-13-8-6-12(7-9-13)15(16(20)21)17-14(19)10-11-4-2-1-3-5-11;/h1-9,15,18H,10H2,(H,17,19)(H,20,21);/q;+1/p-1",C16H15NO4.Na,,,,,,SSQICCSBOZHERJ-XFULWGLBSA-M,,,,,,,,,,,
100.075.764,283-368-7,84604-84-2,"4,5-dibromo-2-(4-nitrophenoxy)phenol","4,5-dibromo-2-(4-nitrophenoxy)phenol",Oc1cc(Br)c(Br)cc1Oc2ccc(cc2)[N+](=O)[O-],Oc1cc(Br)c(Br)cc1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C12H7Br2NO4/c13-9-5-11(16)12(6-10(9)14)19-8-3-1-7(2-4-8)15(17)18/h1-6,16H",C12H7Br2NO4,,,,,,SOCIRCCLOXVPNG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.770,283-375-5,84604-90-0,"1,1'-methylenebis[2,6-dichlorobenzene]","1,1'-methylenebis(2,6-dichlorobenzene)",Clc1cccc(Cl)c1Cc2c(Cl)cccc2Cl,Clc1cccc(Cl)c1Cc2c(Cl)cccc2Cl,"InChI=1/C13H8Cl4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h1-6H,7H2",C13H8Cl4,,,,,,HUNVCZYKHPLUQB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.774,283-379-7,84604-94-4,"Succinic acid, compound with 2-[4-[3-(dibutylamino)propoxy]-3,5-dimethylbenzoyl]-4H-1-benzopyran-4-one (1:1)","2-{4-[3-(dibutylamino)propoxy]-3,5-dimethylbenzoyl}-4H-chromen-4-one succinate",CCCCN(CCCC)CCCOc1c(C)cc(cc1C)C(=O)C2=CC(=O)c3ccccc3O2.OC(=O)CCC(=O)O,CCCCN(CCCC)CCCOc1c(C)cc(cc1C)C(=O)C2=CC(=O)c3ccccc3O2.OC(=O)CCC(=O)O,"InChI=1/C29H37NO4.C4H6O4/c1-5-7-14-30(15-8-6-2)16-11-17-33-29-21(3)18-23(19-22(29)4)28(32)27-20-25(31)24-12-9-10-13-26(24)34-27;5-3(6)1-2-4(7)8/h9-10,12-13,18-20H,5-8,11,14-17H2,1-4H3;1-2H2,(H,5,6)(H,7,8)",C29H37NO4.C4H6O4,,,,,,NODMFCLYPDIFHV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.778,283-383-9,84604-98-8,Phenyl 4-phenyl-1-(phenylmethyl)-4-piperidyl ketone,(1-benzyl-4-phenylpiperidin-4-yl)(phenyl)methanone,O=C(c1ccccc1)C2(CCN(Cc3ccccc3)CC2)c4ccccc4,O=C(c1ccccc1)C2(CCN(Cc3ccccc3)CC2)c4ccccc4,"InChI=1/C25H25NO/c27-24(22-12-6-2-7-13-22)25(23-14-8-3-9-15-23)16-18-26(19-17-25)20-21-10-4-1-5-11-21/h1-15H,16-20H2",C25H25NO,,,,,,RLRNRKZKGUMSLV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.780,283-386-5,84605-00-5,"10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene","10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-11-nitro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene",[O-][N+](=O)c1cc2C3C(C4C(c2cc1Br)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,[O-][N+](=O)c1cc2C3C(C4C(c2cc1Br)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,"InChI=1/C20H6BrCl12NO2/c21-5-1-3-4(2-6(5)34(35)36)8-10(18(29)14(25)12(23)16(8,27)20(18,32)33)9-7(3)15(26)11(22)13(24)17(9,28)19(15,30)31/h1-2,7-10H",C20H6BrCl12NO2,,,,,,PQCIWCLZNVPWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.658,284-354-3,84852-42-6,Potassium bis[2-[(2-ethylhexyl)oxy]ethyl] phosphate,potassium bis{2-[(2-ethylhexyl)oxy]ethyl} phosphate,[K+].CCCCC(CC)COCCOP(=O)([O-])OCCOCC(CC)CCCC,[K+].CCCCC(CC)COCCOP(=O)([O-])OCCOCC(CC)CCCC,"InChI=1/C20H43O6P.K/c1-5-9-11-19(7-3)17-23-13-15-25-27(21,22)26-16-14-24-18-20(8-4)12-10-6-2;/h19-20H,5-18H2,1-4H3,(H,21,22);/q;+1/p-1",C20H43O6P.K,,,,,,XJWGZRPJAJERTO-UHFFFAOYSA-M,,,,,,,,,,,
100.076.666,284-363-2,84852-50-6,"2,2'-[(2,3-dibromobut-2-ene-1,4-diyl)bis(oxy)]bis[3-chloropropan-1-ol]","2,2'-[(2,3-dibromobut-2-ene-1,4-diyl)bis(oxy)]bis(3-chloropropan-1-ol)",ClCC(OCC(Br)=C(Br)COC(CO)CCl)CO,ClCC(OCC(Br)=C(Br)COC(CO)CCl)CO,"InChI=1/C10H16Br2Cl2O4/c11-9(5-17-7(1-13)3-15)10(12)6-18-8(2-14)4-16/h7-8,15-16H,1-6H2",C10H16Br2Cl2O4,,,,,,LLZFJDOCPOIVBL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.670,284-367-4,84852-54-0,Pentabromo-N-(pentabromophenyl)aniline,"2,3,4,5,6-pentabromo-N-(pentabromophenyl)aniline",Brc1c(Br)c(Br)c(Nc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(Nc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,InChI=1/C12HBr10N/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22/h23H,C12HBr10N,,,,,,OQXYDDOXOUGYNX-UHFFFAOYSA-N,,,,,,,,,,,
100.076.673,284-371-6,84852-57-3,"2,4,6-tribromophenyl 2-ethylhexanoate","2,4,6-tribromophenyl 2-ethylhexanoate",CCCCC(CC)C(=O)Oc1c(Br)cc(Br)cc1Br,CCCCC(CC)C(=O)Oc1c(Br)cc(Br)cc1Br,"InChI=1/C14H17Br3O2/c1-3-5-6-9(4-2)14(18)19-13-11(16)7-10(15)8-12(13)17/h7-9H,3-6H2,1-2H3",C14H17Br3O2,,,,,,HQVZMRPSXXNTNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.674,284-372-1,84852-58-4,"Bis[(pentabromophenyl)methyl] 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","bis(pentabromobenzyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",ClC1=C(Cl)C2(Cl)C(C(C(=O)OCc3c(Br)c(Br)c(Br)c(Br)c3Br)C1(Cl)C2(Cl)Cl)C(=O)OCc4c(Br)c(Br)c(Br)c(Br)c4Br,ClC1=C(Cl)C2(Cl)C(C(C(=O)OCc3c(Br)c(Br)c(Br)c(Br)c3Br)C1(Cl)C2(Cl)Cl)C(=O)OCc4c(Br)c(Br)c(Br)c(Br)c4Br,"InChI=1/C23H6Br10Cl6O4/c24-7-3(8(25)12(29)15(32)11(7)28)1-42-19(40)5-6(22(37)18(35)17(34)21(5,36)23(22,38)39)20(41)43-2-4-9(26)13(30)16(33)14(31)10(4)27/h5-6H,1-2H2",C23H6Br10Cl6O4,,,,,,CTTMERDDZFEXGY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.431,283-000-5,84522-04-3,"6,6'-[ethylenebis(oxy)]bis(1,3,5-triazine-2,4-diamine)","6,6'-[ethane-1,2-diylbis(oxy)]bis(1,3,5-triazine-2,4-diamine)",Nc1nc(N)nc(OCCOc2nc(N)nc(N)n2)n1,Nc1nc(N)nc(OCCOc2nc(N)nc(N)n2)n1,"InChI=1/C8H12N10O2/c9-3-13-4(10)16-7(15-3)19-1-2-20-8-17-5(11)14-6(12)18-8/h1-2H2,(H4,9,10,13,15,16)(H4,11,12,14,17,18)",C8H12N10O2,,,,,,OGRXIYGLBKRIJG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.447,283-017-8,84522-21-4,"5-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-3-phenyl-1H-1,2,4-triazolium chloride","5-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-ium chloride",[Cl-].CN(Cc1ccccc1)c2ccc(cc2)N=NC4[NH+](C)\\N=C(\\c3ccccc3)N4C,[Cl-].CN(Cc1ccccc1)c2ccc(cc2)N=NC4[NH+](C)\N=C(\c3ccccc3)N4C,"InChI=1/C24H26N6.ClH/c1-28(18-19-10-6-4-7-11-19)22-16-14-21(15-17-22)25-26-24-29(2)23(27-30(24)3)20-12-8-5-9-13-20;/h4-17,24H,18H2,1-3H3;1H",C24H25N6.Cl,,,,,,XXXPUAIQQGPGEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.454,283-025-1,84522-30-5,4-[5-methyl-7-isopropylbicyclo[2.2.2]oct-2-yl]-3-buten-2-one,4-(7-isopropyl-5-methylbicyclo[2.2.2]oct-2-yl)but-3-en-2-one,CC(=O)C=CC2CC1CC(C(C)C)C2CC1C,CC(=O)C=CC2CC1CC(C(C)C)C2CC1C,"InChI=1/C16H26O/c1-10(2)15-9-14-8-13(6-5-12(4)17)16(15)7-11(14)3/h5-6,10-11,13-16H,7-9H2,1-4H3",C16H26O,,,,,,RECXHCCZEUDJOW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.457,283-028-8,84522-33-8,2-[2-(4-isopropylphenyl)ethyl]pyridine,2-[2-(4-isopropylphenyl)ethyl]pyridine,CC(C)c1ccc(CCc2ccccn2)cc1,CC(C)c1ccc(CCc2ccccn2)cc1,"InChI=1/C16H19N/c1-13(2)15-9-6-14(7-10-15)8-11-16-5-3-4-12-17-16/h3-7,9-10,12-13H,8,11H2,1-2H3",C16H19N,,,,,,XENMERBMHPXJGA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.459,283-030-9,84522-35-0,"3-[(2,2-dimethoxyethyl)thio]propene","3-[(2,2-dimethoxyethyl)sulfanyl]prop-1-ene",COC(CSCC=C)OC,COC(CSCC=C)OC,"InChI=1/C7H14O2S/c1-4-5-10-6-7(8-2)9-3/h4,7H,1,5-6H2,2-3H3",C7H14O2S,,,,,,JGGFJNSRWHKYOY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.461,283-033-5,84522-37-2,"Sebacic acid, compound with morpholine",decanedioic acid - morpholine (1:1),OC(=O)CCCCCCCCC(=O)O.C1COCCN1,OC(=O)CCCCCCCCC(=O)O.C1COCCN1,"InChI=1/C10H18O4.C4H9NO/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-6-4-2-5-1/h1-8H2,(H,11,12)(H,13,14);5H,1-4H2",C10H18O4.xC4H9NO,,,,,,XMIVMXLEJAOIKA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.463,283-035-6,84522-39-4,Iron tris(phenylacetate),iron(3+) tris(phenylacetate),[Fe+3].O=C([O-])CC=1/C=C\\C=C/C=1.[O-]C(=O)Cc1ccccc1.[O-]C(=O)Cc1ccccc1,[Fe+3].O=C([O-])CC=1/C=C\C=C/C=1.[O-]C(=O)Cc1ccccc1.[O-]C(=O)Cc1ccccc1,"InChI=1/3C8H8O2.Fe/c3*9-8(10)6-7-4-2-1-3-5-7;/h3*1-5H,6H2,(H,9,10);/q;;;+3/p-3",C8H8O2.1/3Fe,,,,,,FYYIAFRCOODGSA-UHFFFAOYSA-K,,,,,,,,,,,
100.075.467,283-039-8,84522-43-0,"Disodium 4-[(2-amino-4-hydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate, mono[(p-nitrophenyl)azo] mono[(2-hydroxy-3,5-dinitrophenyl)azo] derivative","disodium 4-[(2-amino-4-hydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate, mono[(p-nitrophenyl)azo] mono[(2-hydroxy-3,5-dinitrophenyl)azo] derivative",[Na+].[Na+].Oc5c(cc(cc5N=NOS(=O)(=O)c3cc2cc(cc(N=Nc1ccc(O)cc1N)c2c(O)c3)S(=O)(=O)ON=Nc4ccc(cc4)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,[Na+].[Na+].Oc5c(cc(cc5N=NOS(=O)(=O)c3cc2cc(cc(N=Nc1ccc(O)cc1N)c2c(O)c3)S(=O)(=O)ON=Nc4ccc(cc4)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C28H18N10O15S2.2Na/c29-21-11-18(39)5-6-22(21)31-32-23-12-19(54(48,49)52-34-30-15-1-3-16(4-2-15)36(42)43)7-14-8-20(13-26(40)27(14)23)55(50,51)53-35-33-24-9-17(37(44)45)10-25(28(24)41)38(46)47;;/h1-13,39-41H,29H2;;/q;2*+1",C28H18N10O15S2.2Na,,,,,,FKNYMRPWJDBEHP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.138,279-376-5,80036-86-8,2-ethylsulphonyl-5-methoxyaniline,2-(ethylsulfonyl)-5-methoxyaniline,CCS(=O)(=O)c1ccc(OC)cc1N,CCS(=O)(=O)c1ccc(OC)cc1N,"InChI=1/C9H13NO3S/c1-3-14(11,12)9-5-4-7(13-2)6-8(9)10/h4-6H,3,10H2,1-2H3",C9H13NO3S,,,,,,USJIZJHMBXUTBR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.140,279-378-6,80036-88-0,4-amino-5-(ethylsulphonyl)-2-methoxybenzonitrile,4-amino-5-(ethylsulfonyl)-2-methoxybenzonitrile,CCS(=O)(=O)c1cc(C#N)c(OC)cc1N,CCS(=O)(=O)c1cc(C#N)c(OC)cc1N,"InChI=1/C10H12N2O3S/c1-3-16(13,14)10-4-7(6-11)9(15-2)5-8(10)12/h4-5H,3,12H2,1-2H3",C10H12N2O3S,,,,,,QIKUGMIMJGCHIN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.141,279-379-1,80036-90-4,Methyl 5-(ethylsulphonyl)-4-nitro-o-anisate,methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate,CCS(=O)(=O)c1cc(C(=O)OC)c(OC)cc1[N+](=O)[O-],CCS(=O)(=O)c1cc(C(=O)OC)c(OC)cc1[N+](=O)[O-],"InChI=1/C11H13NO7S/c1-4-20(16,17)10-5-7(11(13)19-3)9(18-2)6-8(10)12(14)15/h5-6H,4H2,1-3H3",C11H13NO7S,,,,,,RCOBUYURWGWJBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.143,279-381-2,80048-77-7,Dirhodium trisulphite,dirhodium trisulphite,[Rh+2].[Rh+2].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],[Rh+2].[Rh+2].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/3H2O3S.2Rh/c3*1-4(2)3;;/h3*(H2,1,2,3);;/q;;;2*+2/p-6",H2O3S.2/3Rh,,,,,,QCZOWOGEZHOEBC-UHFFFAOYSA-H,,,,,,,,,,,
100.072.145,279-383-3,80062-31-3,"3-[3-(methylamino)-4-nitrophenoxy]propane-1,2-diol","3-[3-(methylamino)-4-nitrophenoxy]propane-1,2-diol",CNc1cc(OCC(O)CO)ccc1[N+](=O)[O-],CNc1cc(OCC(O)CO)ccc1[N+](=O)[O-],"InChI=1/C10H14N2O5/c1-11-9-4-8(17-6-7(14)5-13)2-3-10(9)12(15)16/h2-4,7,11,13-14H,5-6H2,1H3",C10H14N2O5,,,,,,CDRHDQOGKXFJSA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.152,279-391-7,80081-45-4,"[S-(R*,R*)]-tartarohydrazide","2,3-dihydroxysuccinohydrazide",NNC(=O)C(O)C(O)C(=O)NN,NNC(=O)C(O)C(O)C(=O)NN,"InChI=1/C4H10N4O4/c5-7-3(11)1(9)2(10)4(12)8-6/h1-2,9-10H,5-6H2,(H,7,11)(H,8,12)",C4H10N4O4,,,,,,MDJZGXRFYKPSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.097,281-532-2,83968-52-9,"Trisodium 3-[[2,4-diamino-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-5-sulphonatosalicylate","trisodium 3-{[2,4-diamino-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-2-hydroxy-5-sulfonatobenzoate",[Na+].[Na+].[Na+].Oc4c(cc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S([O-])(=O)=O)C([O-])=O,[Na+].[Na+].[Na+].Oc4c(cc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S([O-])(=O)=O)C([O-])=O,"InChI=1/C25H20N8O11S2.3Na/c26-17-10-18(27)21(31-32-22-9-15(45(39,40)41)8-16(24(22)34)25(35)36)11-20(17)30-29-13-3-1-12(2-4-13)28-19-6-5-14(33(37)38)7-23(19)46(42,43)44;;;/h1-11,28,34H,26-27H2,(H,35,36)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3",C25H20N8O11S2.3Na,,,,,,VMBCOGKLADVKRO-UHFFFAOYSA-K,,,,,,,,,,,
100.074.102,281-538-5,83968-57-4,Diammonium 7-benzamido-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,diammonium 7-(benzoylamino)-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S([O-])(=O)=O,[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S([O-])(=O)=O,"InChI=1/C29H21N5O8S2.2H3N/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42);2*1H3",C29H21N5O8S2.2H3N,,,,,,QHPKCULCVZCJBI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.110,281-546-9,83968-65-4,"Sodium p-[[4,6-diamino-5-(phenylazo)-m-tolyl]azo]benzenesulphonate","sodium 4-{[2,4-diamino-5-methyl-3-(phenyldiazenyl)phenyl]diazenyl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3cc(C)c(N)c(N=Nc2ccccc2)c3N,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3cc(C)c(N)c(N=Nc2ccccc2)c3N,"InChI=1/C19H18N6O3S.Na/c1-12-11-16(24-22-14-7-9-15(10-8-14)29(26,27)28)18(21)19(17(12)20)25-23-13-5-3-2-4-6-13;/h2-11H,20-21H2,1H3,(H,26,27,28);/q;+1/p-1",C19H18N6O3S.Na,,,,,,IVSTZUOVIPZRCU-UHFFFAOYSA-M,,,,,,,,,,,
100.074.113,281-550-0,83968-68-7,"Ammonium sodium hydrogen 5-sulphonatoisophthalate, compound with hexane-1,6-diamine (2:1)","ammonium sodium hydrogen 5-sulphonatoisophthalate, compound with hexane-1,6-diamine (2:1)",[NH4+].[NH4+].[Na+].[Na+].NCCCCCCN.[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)[O-].[O-]C(=O)c2cc(cc(c2)S(=O)(=O)[O-])C(=O)[O-],[NH4+].[NH4+].[Na+].[Na+].NCCCCCCN.[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)[O-].[O-]C(=O)c2cc(cc(c2)S(=O)(=O)[O-])C(=O)[O-],"InChI=1/2C8H6O7S.C6H16N2.2H3N.2Na/c2*9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;7-5-3-1-2-4-6-8;;;;/h2*1-3H,(H,9,10)(H,11,12)(H,13,14,15);1-8H2;2*1H3;;/q;;;;;2*+1/p-4",C8H6O7S.1/2C6H16N2.H3N.Na,,,,,,KGDUFHQHWBPBDP-UHFFFAOYSA-J,,,,,,,,,,,
100.074.114,281-551-6,83968-70-1,[2-[(2-hydroxyethyl)[2-(stearoyloxy)ethyl]amino]ethyl]methylbis[2-(stearoyloxy)ethyl]ammonium hydrogen sulphate,"2-{(2-hydroxyethyl)[2-(stearoyloxy)ethyl]amino}-N-methyl-N,N-bis[2-(stearoyloxy)ethyl]ethanaminium hydrogen sulfate",CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-],"InChI=1/C65H129N2O7.H2O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-63(69)72-60-55-66(54-59-68)53-56-67(4,57-61-73-64(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-62-74-65(71)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5(2,3)4/h68H,5-62H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C65H129N2O7.1/2O4S,,,,,,DOJWOWQGBVGEHX-UHFFFAOYSA-L,,,,,,,,,,,
100.076.645,284-340-7,84852-29-9,Sodium 4-[[4-[(2-hydroxy-1-naphthyl)azo]-3-methylphenyl]azo]benzenesulphonate,sodium 4-({4-[(2-hydroxy-1-naphthyl)diazenyl]-3-methylphenyl}diazenyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc2c3ccccc3ccc2O)c(C)c4,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc2c3ccccc3ccc2O)c(C)c4,"InChI=1/C23H18N4O4S.Na/c1-15-14-18(25-24-17-7-10-19(11-8-17)32(29,30)31)9-12-21(15)26-27-23-20-5-3-2-4-16(20)6-13-22(23)28;/h2-14,28H,1H3,(H,29,30,31);/q;+1/p-1",C23H18N4O4S.Na,,,,,,SUCDVUGDPZDKEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.076.648,284-343-3,84852-32-4,Sodium 5-((2-hydroxy-5-((4-hydroxyphenyl)sulphonyl)phenyl)methyl)naphthalene-2-sulphonate,sodium 5-{2-hydroxy-5-[(4-hydroxyphenyl)sulfonyl]benzyl}naphthalene-2-sulfonate,[Na+].Oc1ccc(cc1)S(=O)(=O)c2ccc(O)c(Cc3cccc4cc(ccc34)S(=O)(=O)[O-])c2,[Na+].Oc1ccc(cc1)S(=O)(=O)c2ccc(O)c(Cc3cccc4cc(ccc34)S(=O)(=O)[O-])c2,"InChI=1/C23H18O7S2.Na/c24-18-4-6-19(7-5-18)31(26,27)20-9-11-23(25)17(14-20)12-15-2-1-3-16-13-21(32(28,29)30)8-10-22(15)16;/h1-11,13-14,24-25H,12H2,(H,28,29,30);/q;+1/p-1",C23H18O7S2.Na,,,,,,WTSSYPJCYGKKGT-UHFFFAOYSA-M,,,,,,,,,,,
100.070.350,277-408-2,73384-66-4,"Ethyl 5-[3-chloro-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate","({3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diethyl biscarbonate",Clc2cc(ccc2N=Nc1ccc(cc1C#N)[N+]([O-])=O)N(CCOC(=O)OCC)CCOC(=O)OCC,Clc2cc(ccc2N=Nc1ccc(cc1C#N)[N+]([O-])=O)N(CCOC(=O)OCC)CCOC(=O)OCC,"InChI=1/C23H24ClN5O8/c1-3-34-22(30)36-11-9-28(10-12-37-23(31)35-4-2)17-5-8-21(19(24)14-17)27-26-20-7-6-18(29(32)33)13-16(20)15-25/h5-8,13-14H,3-4,9-12H2,1-2H3",C23H24ClN5O8,,,,,,OZPWXOCUMJVGST-UHFFFAOYSA-N,,,,,,,,,,,
100.070.368,277-428-1,73398-28-4,"Disodium 3-[[4-amino-9,10-dihydro-9,10-dioxo-3-[2-sulphonato-4-(1,1,3,3-tetramethylbutyl)phenoxy]-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate","disodium 3-({4-amino-9,10-dioxo-3-[2-sulfonato-4-(1,1,3,3-tetramethylbutyl)phenoxy]-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonate",[Na+].[Na+].Cc1cc(C)c(c(C)c1Nc2cc(Oc3ccc(cc3S(=O)(=O)[O-])C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)[O-],[Na+].[Na+].Cc1cc(C)c(c(C)c1Nc2cc(Oc3ccc(cc3S(=O)(=O)[O-])C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)[O-],"InChI=1/C37H40N2O9S2.2Na/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6;;/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C37H40N2O9S2.2Na,,,,,,VVIVVAIHOWVTHB-UHFFFAOYSA-L,,,,,,,,,,,
100.052.371,257-626-4,52055-23-9,5-(phenylmethoxy)-1H-indole-3-ethylamine monohydrochloride,2-[5-(benzyloxy)-1H-indol-3-yl]ethanamine,NCCc1c[nH]c2ccc(OCc3ccccc3)cc12,NCCc1c[nH]c2ccc(OCc3ccccc3)cc12,"InChI=1/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2",C17H18N2O.ClH,,,,,,WKPDXBXNJWWWGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.373,257-629-0,52061-60-6,1-isopropyl-4-methylcyclohexyl hydroperoxide,1-isopropyl-4-methylcyclohexyl hydroperoxide,CC(C)C1(CCC(C)CC1)OO,CC(C)C1(CCC(C)CC1)OO,"InChI=1/C10H20O2/c1-8(2)10(12-11)6-4-9(3)5-7-10/h8-9,11H,4-7H2,1-3H3",C10H20O2,,,,,,MRHJLSVXRAIRDK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.875,259-283-6,54661-54-0,"6,6'-(2-methylpropylidene)bis[2,3-dihydro-1,1,3,3-tetramethyl-1H-inden-5-ol]","6,6'-(2-methylpropane-1,1-diyl)bis(1,1,3,3-tetramethylindan-5-ol)",CC(C)C(c1cc2c(cc1O)C(C)(C)CC2(C)C)c3cc4c(cc3O)C(C)(C)CC4(C)C,CC(C)C(c1cc2c(cc1O)C(C)(C)CC2(C)C)c3cc4c(cc3O)C(C)(C)CC4(C)C,"InChI=1/C30H42O2/c1-17(2)26(18-11-20-22(13-24(18)31)29(7,8)15-27(20,3)4)19-12-21-23(14-25(19)32)30(9,10)16-28(21,5)6/h11-14,17,26,31-32H,15-16H2,1-10H3",C30H42O2,,,,,,WMMXUIUYZSIYCT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.876,259-284-1,54663-47-7,Tibezonium iodide,"N,N-diethyl-N-methyl-2-({4-[4-(phenylsulfanyl)phenyl]-3H-1,5-benzodiazepin-2-yl}sulfanyl)ethanaminium iodide",[I-].CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(C1)c3ccc(Sc4ccccc4)cc3,[I-].CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(C1)c3ccc(Sc4ccccc4)cc3,"InChI=1/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1",C28H32N3S2.I,,,,,,YTSPICCNZMNDQT-UHFFFAOYSA-M,,,,,,,,,,,
100.053.877,259-285-7,54664-77-6,(E)-tetrahydro-2-(11-tetradecen-9-ynyloxy)-2H-pyran,2-(tetradec-11-en-9-yn-1-yloxy)tetrahydro-2H-pyran,CC\\C=C\\C#CCCCCCCCCOC1CCCCO1,CC\C=C\C#CCCCCCCCCOC1CCCCO1,"InChI=1/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,19H,2,7-18H2,1H3",C19H32O2,,,,,,BUOGADDGOQWWDH-ONEGZZNKSA-N,,,,,,,,,,,
100.053.881,259-289-9,54673-07-3,Alpha-cyano-m-hydroxycinnamic acid,2-cyano-3-(3-hydroxyphenyl)acrylic acid,OC(=O)\\C(=C\\c1cccc(O)c1)\\C#N,OC(=O)\C(=C\c1cccc(O)c1)\C#N,"InChI=1/C10H7NO3/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7/h1-5,12H,(H,13,14)",C10H7NO3,,,,,,HPLNTJVXWMJLNJ-XBXARRHUSA-N,,,,,,,,,,,
100.053.886,259-295-1,54689-35-9,Sucrose pentastearate,"3,4-di-O-stearoyl-beta-D-fructofuranosyl 2,3,4-tri-O-stearoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C102H192O16/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81-91(106)112-96-89(86-103)111-101(99(115-94(109)84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)98(96)114-93(108)83-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)118-102(88-105)100(116-95(110)85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)97(90(87-104)117-102)113-92(107)82-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2/h89-90,96-101,103-105H,6-88H2,1-5H3",C102H192O16,,,,,,IRCKPBHLOWBCDO-UEZVRMQCSA-N,,,,,,,,,,,
100.070.999,278-122-0,75202-23-2,"2-[4-(tert-butyl)-2-cyclopentylphenoxy]-1-methylethyl [4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]carbamate","2-(4-tert-butyl-2-cyclopentylphenoxy)-1-methylethyl (4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)carbamate",CC(COc1ccc(cc1C2CCCC2)C(C)(C)C)OC(=O)Nc3ccc(Cl)c(NC4=NN(C(=O)C4)c5c(Cl)cc(Cl)cc5Cl)c3,CC(COc1ccc(cc1C2CCCC2)C(C)(C)C)OC(=O)Nc3ccc(Cl)c(NC4=NN(C(=O)C4)c5c(Cl)cc(Cl)cc5Cl)c3,"InChI=1/C34H36Cl4N4O4/c1-19(18-45-29-12-9-21(34(2,3)4)13-24(29)20-7-5-6-8-20)46-33(44)39-23-10-11-25(36)28(16-23)40-30-17-31(43)42(41-30)32-26(37)14-22(35)15-27(32)38/h9-16,19-20H,5-8,17-18H2,1-4H3,(H,39,44)(H,40,41)",C34H36Cl4N4O4,,,,,,KSNIHZDEEVGMEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.625,279-911-2,82185-41-9,Benzyl anthranilate,benzyl 2-aminobenzoate,Nc1ccccc1C(=O)OCc2ccccc2,Nc1ccccc1C(=O)OCc2ccccc2,"InChI=1/C14H13NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10,15H2",C14H13NO2,,,,,,ZHZPDMZPDWXVMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.629,279-915-4,82199-13-1,"Tetrasodium 4-(benzoylamino)-5-hydroxy-6-[[1-sulphonato-6-[[2-(sulphonatooxy)ethyl]sulphonyl]-2-naphthyl]azo]naphthalene-1,7-disulphonate","tetrasodium 4-(benzoylamino)-5-hydroxy-6-[(1-sulfonato-6-{[2-(sulfonatooxy)ethyl]sulfonyl}-2-naphthyl)diazenyl]naphthalene-1,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c4cc5ccc(N=Nc3c(cc2c(ccc(NC(=O)c1ccccc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(c5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c4cc5ccc(N=Nc3c(cc2c(ccc(NC(=O)c1ccccc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(c5cc4)S([O-])(=O)=O,"InChI=1/C29H23N3O17S5.4Na/c33-27-25-20(23(51(37,38)39)11-10-21(25)30-29(34)16-4-2-1-3-5-16)15-24(52(40,41)42)26(27)32-31-22-9-6-17-14-18(7-8-19(17)28(22)53(43,44)45)50(35,36)13-12-49-54(46,47)48;;;;/h1-11,14-15,33H,12-13H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4",C29H23N3O17S5.4Na,,,,,,IYSLRGNHTGJLSK-UHFFFAOYSA-J,,,,,,,,,,,
100.076.687,284-386-8,84864-63-1,1H-pyrrole-2-sulphonic acid,1H-pyrrole-2-sulfonic acid,OS(=O)(=O)c1ccc[nH]1,OS(=O)(=O)c1ccc[nH]1,"InChI=1/C4H5NO3S/c6-9(7,8)4-2-1-3-5-4/h1-3,5H,(H,6,7,8)",C4H5NO3S,,,,,,KKQCQCXUVZBOCL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.690,284-389-4,84864-66-4,"1,2-didecyl 4-octyl benzene-1,2,4-tricarboxylate","1,2-didecyl 4-octyl benzene-1,2,4-tricarboxylate",CCCCCCCCCCOC(=O)c1ccc(cc1C(=O)OCCCCCCCCCC)C(=O)OCCCCCCCC,CCCCCCCCCCOC(=O)c1ccc(cc1C(=O)OCCCCCCCCCC)C(=O)OCCCCCCCC,"InChI=1/C37H62O6/c1-4-7-10-13-16-18-21-24-29-42-36(39)33-27-26-32(35(38)41-28-23-20-15-12-9-6-3)31-34(33)37(40)43-30-25-22-19-17-14-11-8-5-2/h26-27,31H,4-25,28-30H2,1-3H3",C37H62O6,,,,,,XANWHXYTNWDVPG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.693,284-393-6,84864-69-7,"Sodium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)quinoline-8-sulphonate","sodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-8-sulfonate",[Na+].[O-]S(=O)(=O)c1cccc2ccc(nc12)C3C(=O)c4ccccc4C3=O,[Na+].[O-]S(=O)(=O)c1cccc2ccc(nc12)C3C(=O)c4ccccc4C3=O,"InChI=1/C18H11NO5S.Na/c20-17-11-5-1-2-6-12(11)18(21)15(17)13-9-8-10-4-3-7-14(16(10)19-13)25(22,23)24;/h1-9,15H,(H,22,23,24);/q;+1/p-1",C18H11NO5S.Na,,,,,,FYPFGVAVAPLSHG-UHFFFAOYSA-M,,,,,,,,,,,
100.070.502,277-575-1,73725-74-3,4-[4-methoxy-3-[2-(4-phenyl-1-piperazinyl)ethoxy]phenyl]pyrrolidin-2-one,4-{4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}pyrrolidin-2-one,COc1ccc(cc1OCCN2CCN(CC2)c3ccccc3)C4CNC(=O)C4,COc1ccc(cc1OCCN2CCN(CC2)c3ccccc3)C4CNC(=O)C4,"InChI=1/C23H29N3O3/c1-28-21-8-7-18(19-16-23(27)24-17-19)15-22(21)29-14-13-25-9-11-26(12-10-25)20-5-3-2-4-6-20/h2-8,15,19H,9-14,16-17H2,1H3,(H,24,27)",C23H29N3O3,,,,,,LJIYALDEFRXWMW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.505,277-578-8,73728-62-8,4-fluoro-a-methyl-a-(1-methylcyclopropyl)benzyl alcohol,1-(4-fluorophenyl)-1-(1-methylcyclopropyl)ethanol,CC(O)(c1ccc(F)cc1)C2(C)CC2,CC(O)(c1ccc(F)cc1)C2(C)CC2,"InChI=1/C12H15FO/c1-11(7-8-11)12(2,14)9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3",C12H15FO,,,,,,FLIITYURLNJSDL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.506,277-579-3,73733-70-7,Ethyl 4-isothiocyanatopiperidine-1-carboxylate,ethyl 4-isothiocyanatopiperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)N=C=S,CCOC(=O)N1CCC(CC1)N=C=S,"InChI=1/C9H14N2O2S/c1-2-13-9(12)11-5-3-8(4-6-11)10-7-14/h8H,2-6H2,1H3",C9H14N2O2S,,,,,,LKKAWMNEPUOSKW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.508,277-581-4,73747-20-3,Sulverapride,"2,3-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(methylsulfamoyl)benzamide",CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,"InChI=1/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)",C16H25N3O5S,,,,,,SODOSTUXGWHQII-UHFFFAOYSA-N,,,,,,,,,,,
100.070.512,277-586-1,73756-39-5,2-tetradecyloctadecanoic acid,2-tetradecyloctadecanoic acid,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O,"InChI=1/C32H64O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3,(H,33,34)",C32H64O2,,,,,,FYYGCTQPBDNICZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.513,277-587-7,73758-52-8,Ethyl 3-amino-3-[(aminocarbonyl)amino]butyrate,ethyl 3-amino-3-(carbamoylamino)butanoate,CCOC(=O)CC(C)(N)NC(=O)N,CCOC(=O)CC(C)(N)NC(=O)N,"InChI=1/C7H15N3O3/c1-3-13-5(11)4-7(2,9)10-6(8)12/h3-4,9H2,1-2H3,(H3,8,10,12)",C7H15N3O3,,,,,,USZCLVNQMQEOBA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.520,277-595-0,73772-41-5,N-(3-aminopropyl)octanamide,N-(3-aminopropyl)octanamide,CCCCCCCC(=O)NCCCN,CCCCCCCC(=O)NCCCN,"InChI=1/C11H24N2O/c1-2-3-4-5-6-8-11(14)13-10-7-9-12/h2-10,12H2,1H3,(H,13,14)",C11H24N2O,,,,,,AZGZCTUTODQNFW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.522,277-597-1,73772-43-7,N-[3-(dimethylamino)propyl]octanamide N-oxide,"N,N-dimethyl-3-[octanoyl(oxido)amino]propan-1-amine",CCCCCCCC(=O)[NH+]([O-])CCCN(C)C,CCCCCCCC(=O)[NH+]([O-])CCCN(C)C,"InChI=1/C13H28N2O2/c1-4-5-6-7-8-10-13(16)15(17)12-9-11-14(2)3/h15H,4-12H2,1-3H3",C13H28N2O2,,,,,,TXECLPYDENCYBT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.523,277-598-7,73772-44-8,N-[3-(dimethylamino)propyl]decanamide N-oxide,"3-[decanoyl(oxido)amino]-N,N-dimethylpropan-1-amine",CCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C,CCCCCCCCCC(=O)[NH+]([O-])CCCN(C)C,"InChI=1/C15H32N2O2/c1-4-5-6-7-8-9-10-12-15(18)17(19)14-11-13-16(2)3/h17H,4-14H2,1-3H3",C15H32N2O2,,,,,,COMPOOLIPIKISL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.524,277-599-2,73772-45-9,(carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide,"N-(carboxymethyl)-3-(decanoylamino)-N,N-dimethylpropan-1-aminium hydroxide",[OH-].CCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,"InChI=1/C17H34N2O3.H2O/c1-4-5-6-7-8-9-10-12-16(20)18-13-11-14-19(2,3)15-17(21)22;/h4-15H2,1-3H3,(H-,18,20,21,22);1H2",C17H34N2O3,,,,,,SWBUAJQBAUEDGM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.189,269-528-9,68266-57-9,"6-chloro-5-(cyclopentylmethyl)-2,3-dihydro-1H-indene-1-carboxylic acid",6-chloro-5-(cyclopentylmethyl)indane-1-carboxylic acid,OC(=O)C1CCc2cc(CC3CCCC3)c(Cl)cc12,OC(=O)C1CCc2cc(CC3CCCC3)c(Cl)cc12,"InChI=1/C16H19ClO2/c17-15-9-14-11(5-6-13(14)16(18)19)8-12(15)7-10-3-1-2-4-10/h8-10,13H,1-7H2,(H,18,19)",C16H19ClO2,,,,,,SKYWJQHJFLDKCI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.017,281-444-4,83949-88-6,"10-bromo-6-[[4-[(9,10-dihydro-9,10-dioxoanthryl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]naphth[2,3-c]acridine-5,8,14(13H)-trione","10-bromo-6-({4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-6-phenoxy-1,3,5-triazin-2-yl}amino)naphtho[2,3-c]acridine-5,8,14(13H)-trione",Brc1ccc2Nc3c(cc(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Oc8ccccc8)n4)c9C(=O)c%10ccccc%10C(=O)c39)C(=O)c2c1,Brc1ccc2Nc3c(cc(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Oc8ccccc8)n4)c9C(=O)c%10ccccc%10C(=O)c39)C(=O)c2c1,"InChI=1/C44H23BrN6O6/c45-21-17-18-30-28(19-21)38(53)29-20-32(34-35(36(29)46-30)41(56)26-14-7-6-13-25(26)40(34)55)48-43-49-42(50-44(51-43)57-22-9-2-1-3-10-22)47-31-16-8-15-27-33(31)39(54)24-12-5-4-11-23(24)37(27)52/h1-20H,(H,46,53)(H2,47,48,49,50,51)",C44H23BrN6O6,,,,,,JYGHYEDIMXDFGX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.028,281-457-5,83950-00-9,"1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium 2-(lactoyloxy)propionate","1,3,3-trimethyl-2-{methyl[4-(phenyldiazenyl)phenyl]carbonohydrazonoyl}-3H-indolium 2-(lactoyloxy)propanoate",[O-]C(=O)C(C)OC(=O)C(C)O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,[O-]C(=O)C(C)OC(=O)C(C)O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,"InChI=1/C25H26N5.C6H10O5/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-3(7)6(10)11-4(2)5(8)9/h5-18H,1-4H3;3-4,7H,1-2H3,(H,8,9)/q+1;/p-1",C25H26N5.C6H9O5,,,,,,FSGAPIJFSYQFTH-UHFFFAOYSA-M,,,,,,,,,,,
100.074.029,281-458-0,83950-01-0,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)","bis[2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium] sulfate",CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CN(CCC#N)c4ccc(\\C=C\\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-],CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CN(CCC#N)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-],"InChI=1/2C23H26N3.H2O4S/c2*1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5(2,3)4/h2*5-6,8-15H,7,17H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C23H26N3.1/2O4S,,,,,,HDLZSXOGUGMZLJ-UHFFFAOYSA-L,,,,,,,,,,,
100.074.031,281-460-1,83950-05-4,Tetrasodium 5-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-8-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]naphthalene-2-sulphonate,tetrasodium 7-amino-3-[(4-{[4-({4-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-6-sulfonato-1-naphthyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc1cc(N)ccc1c(O)c8N=Nc7ccc(N=Nc5ccc(Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c6cc(ccc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc1cc(N)ccc1c(O)c8N=Nc7ccc(N=Nc5ccc(Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c6cc(ccc67)S([O-])(=O)=O,"InChI=1/C42H31N9O14S4.4Na/c43-23-1-9-29-21(15-23)17-37(68(60,61)62)39(41(29)52)50-46-26-5-3-25(4-6-26)45-35-12-7-27(19-36(35)67(57,58)59)47-48-34-14-13-33(31-11-8-28(20-32(31)34)66(54,55)56)49-51-40-38(69(63,64)65)18-22-16-24(44)2-10-30(22)42(40)53;;;;/h1-20,45,52-53H,43-44H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4",C42H31N9O14S4.4Na,,,,,,RTRGHFCBMLMONV-UHFFFAOYSA-J,,,,,,,,,,,
100.074.037,281-466-4,83950-11-2,"6-[[4,6-bis[(9,10-dihydro-9,10-dioxoanthryl)amino]-1,3,5-triazin-2-yl]amino]-10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione","6-({4,6-bis[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-1,3,5-triazin-2-yl}amino)-10-bromonaphtho[2,3-c]acridine-5,8,14(13H)-trione",Brc1ccc2Nc3c(cc(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cccc9C(=O)c%10ccccc%10C(=O)c89)n4)c%11C(=O)c%12ccccc%12C(=O)c3%11)C(=O)c2c1,Brc1ccc2Nc3c(cc(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cccc9C(=O)c%10ccccc%10C(=O)c89)n4)c%11C(=O)c%12ccccc%12C(=O)c3%11)C(=O)c2c1,"InChI=1/C52H26BrN7O7/c53-23-19-20-34-32(21-23)45(63)33-22-37(40-41(42(33)54-34)49(67)29-14-6-5-13-28(29)48(40)66)57-52-59-50(55-35-17-7-15-30-38(35)46(64)26-11-3-1-9-24(26)43(30)61)58-51(60-52)56-36-18-8-16-31-39(36)47(65)27-12-4-2-10-25(27)44(31)62/h1-22H,(H,54,63)(H3,55,56,57,58,59,60)",C52H26BrN7O7,,,,,,LHPYJXQUACOTLP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.039,281-469-0,83950-16-7,[2-[[2-cyano-3-[4-[ethylbenzylamino]phenyl]-1-oxoallyl]oxy]ethyl]trimethylammonium acetate,"2-[(3-{4-[benzyl(ethyl)amino]phenyl}-2-cyanoacryloyl)oxy]-N,N,N-trimethylethanaminium acetate",CCN(Cc1ccccc1)c2ccc(\\C=C(/C#N)\\C(=O)OCC[N+](C)(C)C)cc2.CC(=O)[O-],CCN(Cc1ccccc1)c2ccc(\C=C(/C#N)\C(=O)OCC[N+](C)(C)C)cc2.CC(=O)[O-],"InChI=1/C24H30N3O2.C2H4O2/c1-5-26(19-21-9-7-6-8-10-21)23-13-11-20(12-14-23)17-22(18-25)24(28)29-16-15-27(2,3)4;1-2(3)4/h6-14,17H,5,15-16,19H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C24H30N3O2.C2H3O2,,,,,,PDPDWKYQXUDFIQ-GDHRODDYSA-M,,,,,,,,,,,
100.074.041,281-471-1,83950-18-9,"4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-o-toluidine monoacetate","4-{(2-chlorophenyl)[4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-2-methylaniline acetate",CC(O)=O.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\\C(=NCC)C(\\C)=C\\3,CC(O)=O.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\C(=NCC)C(\C)=C\3,"InChI=1/C25H27ClN2.C2H4O2/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20;1-2(3)4/h7-16,27H,5-6H2,1-4H3;1H3,(H,3,4)",C25H27ClN2.C2H4O2,,,,,,JFUBCKVQIFHJFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.373,277-433-9,73398-35-3,"Pentasodium 7-[[3-(acetylamino)-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate","pentasodium 7-[(3-acetamido-4-{[4-({5-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-2-sulfonatophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3ccc(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3NC(C)=O)nc(Cl)n4)c(cc5)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3ccc(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3NC(C)=O)nc(Cl)n4)c(cc5)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,"InChI=1/C41H29ClN10O18S5.5Na/c1-17(53)44-26-13-20(51-52-28-15-24-18(11-32(28)74(65,66)67)10-21(71(56,57)58)14-31(24)73(62,63)64)6-8-25(26)46-40-48-39(42)49-41(50-40)47-27-12-19(7-9-30(27)72(59,60)61)45-29-16-33(75(68,69)70)36(43)35-34(29)37(54)22-4-2-3-5-23(22)38(35)55;;;;;/h2-16,45H,43H2,1H3,(H,44,53)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,46,47,48,49,50);;;;;/q;5*+1/p-5",C41H29ClN10O18S5.5Na,,,,,,IBAMSWYXGYXUQF-UHFFFAOYSA-I,,,,,,,,,,,
100.070.374,277-434-4,73398-36-4,"Hexasodium 4-amino-3,6-bis[[4-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","hexasodium 4-amino-3,6-bis{[4-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(Cl)n5)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(Cl)n5)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,"InChI=1/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-1-7-22(8-2-18)77(59,60)61)52-39(50-35)46-20-5-11-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)13-17-14-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-12-6-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-3-9-23(10-4-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6",C40H29Cl2N15O19S6.6Na,,,,,,RVPGUBORVDMUDA-UHFFFAOYSA-H,,,,,,,,,,,
100.063.146,269-481-4,68240-78-8,"3,4-dichlorobenzhydryl alcohol","(3,4-dichlorophenyl)(phenyl)methanol",OC(c1ccccc1)c2ccc(Cl)c(Cl)c2,OC(c1ccccc1)c2ccc(Cl)c(Cl)c2,"InChI=1/C13H10Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,13,16H",C13H10Cl2O,,,,,,DALLAISNTUBBNX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.151,269-487-7,68258-63-9,"4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide","4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide",COc1cc(OC)c(cc1Cl)NC(=O)c4cc2ccccc2c(N=Nc3cc(ccc3OC)C(N)=O)c4O,COc1cc(OC)c(cc1Cl)NC(=O)c4cc2ccccc2c(N=Nc3cc(ccc3OC)C(N)=O)c4O,"InChI=1/C27H23ClN4O6/c1-36-21-9-8-15(26(29)34)11-20(21)31-32-24-16-7-5-4-6-14(16)10-17(25(24)33)27(35)30-19-12-18(28)22(37-2)13-23(19)38-3/h4-13,33H,1-3H3,(H2,29,34)(H,30,35)",C27H23ClN4O6,,,,,,DBMMIQSHKXJATR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.153,269-489-8,68258-66-2,Disodium 3-hydroxy-4-[[1-(sulphonatomethyl)-2-naphthyl]azo]-2-naphthoate,disodium 3-hydroxy-4-{[1-(sulfonatomethyl)-2-naphthyl]diazenyl}-2-naphthoate,[Na+].[Na+].[O-]S(=O)(=O)Cc3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Na+].[Na+].[O-]S(=O)(=O)Cc3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C22H16N2O6S.2Na/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30;;/h1-11,25H,12H2,(H,26,27)(H,28,29,30);;/q;2*+1/p-2",C22H16N2O6S.2Na,,,,,,JQERKGKQAHAPTJ-UHFFFAOYSA-L,,,,,,,,,,,
100.063.157,269-494-5,68258-71-9,"N,N'-ethylenebis[bis(2-hydroxypropyl)amine] toluene-p-sulphonate","1,1',1'',1'''-(ethane-1,2-diyldinitrilo)tetrapropan-2-ol 4-methylbenzenesulfonate (salt)",CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.Cc1ccc(cc1)S(=O)(=O)O,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.Cc1ccc(cc1)S(=O)(=O)O,"InChI=1/C14H32N2O4.C7H8O3S/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;1-6-2-4-7(5-3-6)11(8,9)10/h11-14,17-20H,5-10H2,1-4H3;2-5H,1H3,(H,8,9,10)",C14H32N2O4.C7H8O3S,,,,,,WFRGHUZWCMREIB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.163,269-500-6,68258-97-9,"4-amino-1,2-dihydro-1,5-dimethyl-3-oxo-2-phenyl-3H-pyrazolium dihydrogen phosphate","4-amino-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ium dihydrogen phosphate",C[NH+]1N(C(=O)C(=C1C)N)c2ccccc2.[O-]P(=O)([O-])[O-],C[NH+]1N(C(=O)C(=C1C)N)c2ccccc2.[O-]P(=O)([O-])[O-],"InChI=1/C11H13N3O.H3O4P/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;1-5(2,3)4/h3-7H,12H2,1-2H3;(H3,1,2,3,4)/p-2",C11H13N3O.H3O4P,,,,,,CUDGKHKIJQRRAJ-UHFFFAOYSA-L,,,,,,,,,,,
100.063.172,269-510-0,68259-07-4,"Ammonium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonate","ammonium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate",[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7HF15O3S.H3N/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;/h(H,23,24,25);1H3",C7HF15O3S.H3N,,,,,,RCILBNOAZQUGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.630,279-917-5,82204-94-2,Bis(2-octyldodecyl) N-(1-oxododecyl)-L-glutamate,bis(2-octyldodecyl) N-dodecanoyl-L-glutamate,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)C(=O)OCC(CCCCCCCC)CCCCCCCCCC,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)C(=O)OCC(CCCCCCCC)CCCCCCCCCC,"InChI=1/C57H111NO5/c1-6-11-16-21-26-29-32-37-42-47-55(59)58-54(57(61)63-51-53(45-39-34-25-20-15-10-5)46-41-36-31-28-23-18-13-8-3)48-49-56(60)62-50-52(43-38-33-24-19-14-9-4)44-40-35-30-27-22-17-12-7-2/h52-54H,6-51H2,1-5H3,(H,58,59)",C57H111NO5,,,,,,WLRZTBZLAQJGJP-OKTFGQEQSA-N,,,,,,,,,,,
100.072.631,279-918-0,82205-03-6,"7,7'-[1,2-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(carbamoylamino)-4,1-phenylene]azo]]bis(naphthalene-1,3,6-trisulphonic) acid","7,7'-(1,2-phenylenebis{imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(carbamoylamino)-4,1-phenylene]diazene-2,1-diyl})dinaphthalene-1,3,6-trisulfonic acid",OS(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)Nc9ccccc9Nc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc7)nc(Cl)n8)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)Nc9ccccc9Nc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc7)nc(Cl)n8)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C46H34Cl2N18O20S6/c47-39-57-43(51-21-5-7-29(31(13-21)53-41(49)67)63-65-33-17-25-19(11-37(33)91(81,82)83)9-23(87(69,70)71)15-35(25)89(75,76)77)61-45(59-39)55-27-3-1-2-4-28(27)56-46-60-40(48)58-44(62-46)52-22-6-8-30(32(14-22)54-42(50)68)64-66-34-18-26-20(12-38(34)92(84,85)86)10-24(88(72,73)74)16-36(26)90(78,79)80/h1-18H,(H3,49,53,67)(H3,50,54,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,51,55,57,59,61)(H2,52,56,58,60,62)",C46H34Cl2N18O20S6,,,,,,MFLMQTWDGYECAS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.638,279-925-9,82281-90-1,2-[[4-[ethyl(2-hydroxyisopropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate,"2-({4-[ethyl(2-hydroxy-1-methylethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate",[O-]C(C)=O.CC(CO)N(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]C(C)=O.CC(CO)N(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C20H25N4O2S.C2H4O2/c1-5-24(14(2)13-25)16-8-6-15(7-9-16)21-22-20-23(3)18-11-10-17(26-4)12-19(18)27-20;1-2(3)4/h6-12,14,25H,5,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C20H25N4O2S.C2H3O2,,,,,,JYOCYAVCXZSLFH-UHFFFAOYSA-M,,,,,,,,,,,
100.072.640,279-928-5,82294-71-1,"Sodium 5-chloro-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","sodium 5-chloro-2-{[1-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(Cl)ccc3N=NC2C(\\C)=N/N(c1ccccc1Cl)C2=O,[Na+].[O-]S(=O)(=O)c3cc(Cl)ccc3N=NC2C(\C)=N/N(c1ccccc1Cl)C2=O,"InChI=1/C16H12Cl2N4O4S.Na/c1-9-15(16(23)22(21-9)13-5-3-2-4-11(13)18)20-19-12-7-6-10(17)8-14(12)27(24,25)26;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1",C16H12Cl2N4O4S.Na,,,,,,KKCDSUQIPNPHTN-UHFFFAOYSA-M,,,,,,,,,,,
100.072.642,279-930-6,82316-97-0,Calcium bis(4-hydroxybutyrate),calcium bis(4-hydroxybutanoate),[Ca+2].OCCCC(=O)[O-].OCCCC(=O)[O-],[Ca+2].OCCCC(=O)[O-].OCCCC(=O)[O-],"InChI=1/2C4H8O3.Ca/c2*5-3-1-2-4(6)7;/h2*5H,1-3H2,(H,6,7);/q;;+2/p-2",C4H8O3.1/2Ca,,,,,,AZRRVLSHRWGNRS-UHFFFAOYSA-L,,,,,,,,,,,
100.072.656,279-945-8,82432-25-5,"Thiocyanic acid, calcium salt, compound with N,N-diethylpyridine-3-carboxamide (1:2)",-,[Ca+2].CCN(CC)C(=O)c1cccnc1.CCN(CC)C(=O)c2cccnc2.[S-]C#N,[Ca+2].CCN(CC)C(=O)c1cccnc1.CCN(CC)C(=O)c2cccnc2.[S-]C#N,"InChI=1/2C10H14N2O.CHNS.Ca/c2*1-3-12(4-2)10(13)9-6-5-7-11-8-9;2-1-3;/h2*5-8H,3-4H2,1-2H3;3H;/q;;;+2/p-1",C10H14N2O.1/2CHNS.1/4Ca,,,,,,HGEDPJBNPWSAHL-UHFFFAOYSA-M,,,,,,,,,,,
100.046.301,250-948-6,32190-97-9,2-amino-4-methoxyphenol hydrochloride,2-amino-4-methoxyphenol hydrochloride,Cl.COc1ccc(O)c(N)c1,Cl.COc1ccc(O)c(N)c1,"InChI=1/C7H9NO2.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,9H,8H2,1H3;1H",C7H9NO2.ClH,,,,,,YWKXUUGVLZIYEG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.305,250-952-8,32208-04-1,(2-hydroxyethyl)methylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate,"2-hydroxy-N-methyl-N,N-bis[2-(stearoyloxy)ethyl]ethanaminium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C43H86NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h45H,4-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C43H86NO5.CH3O4S,,,,,,FPKBRMRMNGYJLA-UHFFFAOYSA-M,,,,,,,,,,,
100.046.319,250-968-5,32231-06-4,1-piperonylpiperazine,"1-(1,3-benzodioxol-5-ylmethyl)piperazine",C(N1CCNCC1)c2ccc3OCOc3c2,C(N1CCNCC1)c2ccc3OCOc3c2,"InChI=1/C12H16N2O2/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h1-2,7,13H,3-6,8-9H2",C12H16N2O2,,,,,,NBOOZXVYXHATOW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.325,250-974-8,32266-10-7,"4,4'-[hexane-1,6-diylbis[iminio(1-hydroxyethylene)]]dipyrocatechol sulphate","N,N'-bis[2-(3,4-dihydroxyphenyl)-1-hydroxyethyl]hexane-1,6-diaminium sulfate",OC(Cc1ccc(O)c(O)c1)[NH2+]CCCCCC[NH2+]C(O)Cc2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-],OC(Cc1ccc(O)c(O)c1)[NH2+]CCCCCC[NH2+]C(O)Cc2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-],"InChI=1/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)13-21(29)23-9-3-1-2-4-10-24-22(30)14-16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4)",C22H32N2O6.H2O4S,,,,,,CSCDCOQSIWXPSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.190,269-529-4,68274-97-5,5-decyn-1-ol,dec-5-yn-1-ol,CCCCC#CCCCCO,CCCCC#CCCCCO,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-4,7-10H2,1H3",C10H18O,,,,,,RNTNGQCWAKHVKO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.199,269-539-9,68298-10-2,"N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide","N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCc1ccccc1,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NCc1ccccc1,"InChI=1/C14H8F15NO2S/c15-8(16,9(17,18)11(21,22)13(25,26)27)10(19,20)12(23,24)14(28,29)33(31,32)30-6-7-4-2-1-3-5-7/h1-5,30H,6H2",C14H8F15NO2S,,,,,,ZJIFWMOMOPJFRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.201,269-542-5,68298-14-6,"21-amino-N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-9-(1-hydroxynonyl)-9,12,15,18-tetraazahenicosanamide","1-amino-N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)-13-(1-hydroxynonyl)-4,7,10,13-tetraazahenicosan-21-amide",CCCCCCCCC(O)N(CCCCCCCC(=O)NCCNCCNCCNCCN)CCNCCNCCNCCCN,CCCCCCCCC(O)N(CCCCCCCC(=O)NCCNCCNCCNCCN)CCNCCNCCNCCCN,"InChI=1/C34H78N10O2/c1-2-3-4-5-8-11-15-34(46)44(32-30-42-27-26-39-22-20-37-18-13-16-35)31-12-9-6-7-10-14-33(45)43-29-28-41-25-24-40-23-21-38-19-17-36/h34,37-42,46H,2-32,35-36H2,1H3,(H,43,45)",C34H78N10O2,,,,,,BHOUVFZHIJDBQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.202,269-543-0,68298-17-9,Sodium N-(2-hydroxyethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]glycinate,sodium {(2-hydroxyethyl)[2-(stearoylamino)ethyl]amino}acetate,[Na+].CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-],"InChI=1/C24H48N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h27H,2-22H2,1H3,(H,25,28)(H,29,30);/q;+1/p-1",C24H48N2O4.Na,,,,,,ZKBGPOVFSMIXBF-UHFFFAOYSA-M,,,,,,,,,,,
100.063.208,269-549-3,68298-23-7,Sodium 3-(2-butoxyethoxy)propionate,sodium 3-(2-butoxyethoxy)propanoate,[Na+].CCCCOCCOCCC(=O)[O-],[Na+].CCCCOCCOCCC(=O)[O-],"InChI=1/C9H18O4.Na/c1-2-3-5-12-7-8-13-6-4-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1",C9H18O4.Na,,,,,,PNFBSCDFHYXCBU-UHFFFAOYSA-M,,,,,,,,,,,
100.063.211,269-553-5,68298-29-3,(3-methylbutoxy)acetic acid,(3-methylbutoxy)acetic acid,CC(C)CCOCC(=O)O,CC(C)CCOCC(=O)O,"InChI=1/C7H14O3/c1-6(2)3-4-10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",C7H14O3,,,,,,CLUKHRLTJBCIBD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.222,269-565-0,68298-41-9,3-(hexylthio)propionic acid,3-(hexylsulfanyl)propanoic acid,CCCCCCSCCC(=O)O,CCCCCCSCCC(=O)O,"InChI=1/C9H18O2S/c1-2-3-4-5-7-12-8-6-9(10)11/h2-8H2,1H3,(H,10,11)",C9H18O2S,,,,,,NKECJPAGCPRNDI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.784,283-390-7,84605-13-0,2-[2-[2-(tetradecyloxy)ethoxy]ethoxy]ethyl laurate,2-{2-[2-(tetradecyloxy)ethoxy]ethoxy}ethyl laurate,CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC,CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC,"InChI=1/C32H64O5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-34-26-27-35-28-29-36-30-31-37-32(33)24-22-20-18-16-12-10-8-6-4-2/h3-31H2,1-2H3",C32H64O5,,,,,,LLMYKCFFGJIPLB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.785,283-391-2,84605-14-1,2-[2-[2-(tetradecyloxy)ethoxy]ethoxy]ethyl palmitate,2-{2-[2-(tetradecyloxy)ethoxy]ethoxy}ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCCCCCCCCCCCCC,"InChI=1/C36H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-36(37)41-35-34-40-33-32-39-31-30-38-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-35H2,1-2H3",C36H72O5,,,,,,YQHRLGWKUFGMKU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.815,283-425-6,84625-54-7,4-methyl-2-pentylpyridine,4-methyl-2-pentylpyridine,CCCCCc1cc(C)ccn1,CCCCCc1cc(C)ccn1,"InChI=1/C11H17N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h7-9H,3-6H2,1-2H3",C11H17N,,,,,,FILVPVLQGMBYPS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.818,283-428-2,84625-57-0,"1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl[2,2'-binaphthalene]-8,8'-dicarbaldehyde monoacetate","8,8'-diformyl-1',6,6',7,7'-pentahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalen-1-yl acetate",CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3OC(=O)C,CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3OC(=O)C,"InChI=1/C32H32O9/c1-12(2)21-17-8-14(5)23(29(38)25(17)19(10-33)27(36)30(21)39)24-15(6)9-18-22(13(3)4)31(40)28(37)20(11-34)26(18)32(24)41-16(7)35/h8-13,36-40H,1-7H3",C32H32O9,,,,,,MKUVJUUGQDCFBF-UHFFFAOYSA-N,,,,,,,,,,,
100.075.822,283-432-4,84642-56-8,2-[[3-isopropenyl-1-methyl-2-methylenecyclopentyl]carbonyl]cyclopentan-1-one,2-[(3-isopropenyl-1-methyl-2-methylenecyclopentyl)carbonyl]cyclopentanone,CC(=C)C1CCC(C)(C(=O)C2CCCC2=O)C1=C,CC(=C)C1CCC(C)(C(=O)C2CCCC2=O)C1=C,"InChI=1/C16H22O2/c1-10(2)12-8-9-16(4,11(12)3)15(18)13-6-5-7-14(13)17/h12-13H,1,3,5-9H2,2,4H3",C16H22O2,,,,,,YJGPAVJDRYYIKH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.825,283-436-6,84642-59-1,"2-methyl-4-(1-phenylethyl)-1,3-dioxolane","2-methyl-4-(1-phenylethyl)-1,3-dioxolane",CC(C1COC(C)O1)c2ccccc2,CC(C1COC(C)O1)c2ccccc2,"InChI=1/C12H16O2/c1-9(11-6-4-3-5-7-11)12-8-13-10(2)14-12/h3-7,9-10,12H,8H2,1-2H3",C12H16O2,,,,,,UJOYYIGQEPKOBI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.043,281-473-2,83950-21-4,"2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate","2-{2-[4-(diethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium methyl sulfate",CCN(CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.COS(=O)(=O)[O-],CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.COS(=O)(=O)[O-],"InChI=1/C23H29N2.CH4O4S/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5-6(2,3)4/h8-17H,6-7H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C23H29N2.CH3O4S,,,,,,YVTVUBSWAANGIO-UHFFFAOYSA-M,,,,,,,,,,,
100.074.044,281-474-8,83950-22-5,"2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)","bis(2-{2-[4-(diethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium) sulfate",CCN(CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CCN(CC)c4ccc(\\C=C\\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-],CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CCN(CC)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-],"InChI=1/2C23H29N2.H2O4S/c2*1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h2*8-17H,6-7H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2",C23H29N2.1/2O4S,,,,,,LDZLVCIYEQAOBD-UHFFFAOYSA-L,,,,,,,,,,,
100.074.046,281-476-9,83950-25-8,"3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium dihydrogen phosphate","9-ethyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-3H-carbazolium dihydrogen phosphate",[H+].[H+].[O-]P([O-])([O-])=O.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\\C=2\\3)=CC=C5N(C)c4ccccc4C5(C)C,[H+].[H+].[O-]P([O-])([O-])=O.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C,"InChI=1/C27H27N2.H3O4P.2H2/c1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4;1-5(2,3)4;;/h6-18H,5H2,1-4H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3",C27H27N2.H2O4P,,,,,,JYPUSZLRQPEFPP-UHFFFAOYSA-M,,,,,,,,,,,
100.077.253,285-008-4,85005-77-2,"Sulphamic acid, compound with N-[4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-ethyl-N',N'-dimethylethylenediamine (1:1)","sulfamic acid - N-{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}-N-ethyl-N',N'-dimethylethane-1,2-diamine (1:1)",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+]([O-])=O.NS(O)(=O)=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+]([O-])=O.NS(O)(=O)=O,"InChI=1/C18H22ClN5O2.H3NO3S/c1-4-23(12-11-22(2)3)15-7-5-14(6-8-15)20-21-18-10-9-16(24(25)26)13-17(18)19;1-5(2,3)4/h5-10,13H,4,11-12H2,1-3H3;(H3,1,2,3,4)",C18H22ClN5O2.H3NO3S,,,,,,BGMOISKTKYZBQP-UHFFFAOYSA-N,,,,,,,,,,,
100.077.257,285-013-1,85005-82-9,"Calcium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-p-tolyl-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonate","calcium 4,4'-bis{[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-2,2'-disulfonate",[Ca+2].Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=NC5C(\\C)=N/N(c4ccc(C)cc4)C5=O)C6=O,[Ca+2].Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=NC5C(\C)=N/N(c4ccc(C)cc4)C5=O)C6=O,"InChI=1/C34H30N8O8S2.Ca/c1-19-5-11-25(12-6-19)41-33(43)31(21(3)39-41)37-35-23-9-15-27(29(17-23)51(45,46)47)28-16-10-24(18-30(28)52(48,49)50)36-38-32-22(4)40-42(34(32)44)26-13-7-20(2)8-14-26;/h5-18,31-32H,1-4H3,(H,45,46,47)(H,48,49,50);/q;+2/p-2",C34H30N8O8S2.xCa,,,,,,JBVRRKXINLZOTR-UHFFFAOYSA-L,,,,,,,,,,,
100.072.165,279-406-7,80149-80-0,4-nitrophenyl 2-(trimethylsilyl)ethyl carbonate,4-nitrophenyl 2-(trimethylsilyl)ethyl carbonate,C[Si](C)(C)CCOC(=O)Oc1ccc(cc1)[N+](=O)[O-],C[Si](C)(C)CCOC(=O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C12H17NO5Si/c1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16/h4-7H,8-9H2,1-3H3",C12H17NO5Si,,,,,,ZAQWGGKIMQIVGM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.170,279-411-4,80166-90-1,5-bromo-7-nitroindoline,5-bromo-7-nitroindoline,[O-][N+](=O)c1cc(Br)cc2CCNc12,[O-][N+](=O)c1cc(Br)cc2CCNc12,"InChI=1/C8H7BrN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h3-4,10H,1-2H2",C8H7BrN2O2,,,,,,VXKXMHDXFLFIFI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.171,279-413-5,80177-51-1,"[3,16a-dihydroxyestra-1,3,5(10)-trien-17ß-yl](methyl)ammonium hydrogen maleate","3,16-dihydroxy-N-methylestra-1,3,5(10)-trien-17-aminium hydrogen but-2-enedioate",C[NH2+][C@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C.[O-]C(=O)\\C=C/C(=O)[O-],C[NH2+][C@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C19H27NO2.C4H4O4/c1-19-8-7-14-13-6-4-12(21)9-11(13)3-5-15(14)16(19)10-17(22)18(19)20-2;5-3(6)1-2-4(7)8/h4,6,9,14-18,20-22H,3,5,7-8,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1",C19H27NO2.C4H4O4,,,,,,UDCGSEPMGRJOAG-IQQQYFTASA-M,,,,,,,,,,,
100.072.179,279-421-9,80224-20-0,Sodium 3-mercapto-2-methylpropionate,sodium 2-methyl-3-sulfanylpropanoate,[Na+].CC(CS)C(=O)[O-],[Na+].CC(CS)C(=O)[O-],"InChI=1/C4H8O2S.Na/c1-3(2-7)4(5)6;/h3,7H,2H2,1H3,(H,5,6);/q;+1/p-1",C4H8O2S.Na,,,,,,FOTPRJUNQGWLCM-UHFFFAOYSA-M,,,,,,,,,,,
100.072.189,279-432-9,80269-97-2,"4-chloro-2',4'-dimethoxybutyrophenone","4-chloro-1-(2,4-dimethoxyphenyl)butan-1-one",COc1ccc(C(=O)CCCCl)c(OC)c1,COc1ccc(C(=O)CCCCl)c(OC)c1,"InChI=1/C12H15ClO3/c1-15-9-5-6-10(12(8-9)16-2)11(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3",C12H15ClO3,,,,,,XWCCYSWTIUDHGA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.192,279-436-0,80272-23-7,3-(4-fluorophenyl)-6-methylindan-1-one,3-(4-fluorophenyl)-6-methylindan-1-one,Cc1ccc2C(CC(=O)c2c1)c3ccc(F)cc3,Cc1ccc2C(CC(=O)c2c1)c3ccc(F)cc3,"InChI=1/C16H13FO/c1-10-2-7-13-14(9-16(18)15(13)8-10)11-3-5-12(17)6-4-11/h2-8,14H,9H2,1H3",C16H13FO,,,,,,DMZGDJOWXYJRMX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.251,282-802-2,84434-04-8,"2-aminoethanol, compound with 1H-benzotriazole",2-aminoethanol - 1H-benzotriazole (1:1),NCCO.c1ccc2[nH]nnc2c1,NCCO.c1ccc2[nH]nnc2c1,"InChI=1/C6H5N3.C2H7NO/c1-2-4-6-5(3-1)7-9-8-6;3-1-2-4/h1-4H,(H,7,8,9);4H,1-3H2",C6H5N3.xC2H7NO,,,,,,HZLYYYOXWTVWFA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.177,269-515-8,68259-14-3,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methylheptane-1-sulphonamide","1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methylheptane-1-sulfonamide",CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H4F15NO2S/c1-24-27(25,26)8(22,23)6(17,18)4(13,14)2(9,10)3(11,12)5(15,16)7(19,20)21/h24H,1H3",C8H4F15NO2S,,,,,,KDHCALLFPWZTPN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.178,269-516-3,68259-15-4,Tridecafluoro-N-methylhexanesulphonamide,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide",CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7H4F13NO2S/c1-21-24(22,23)7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h21H,1H3",C7H4F13NO2S,,,,,,HPPDPHZGXWMRHN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.117,281-554-2,83968-75-6,1-amino-4-[[[(dimethylamino)methyl]phenyl]amino]anthraquinone monohydrochloride,"1-amino-4-({2-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone hydrochloride",Cl.CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,Cl.CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C23H21N3O2.ClH/c1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27;/h3-12,25H,13,24H2,1-2H3;1H",C23H21N3O2.ClH,,,,,,YQKLRGQZADTYFY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.118,281-555-8,83968-76-7,1-amino-4-[[(dimethylamino)methyl]anilino]anthraquinone,"1-amino-4-({2-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone",CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C23H21N3O2/c1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27/h3-12,25H,13,24H2,1-2H3",C23H21N3O2,,,,,,KDJPCYAZURWAFR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.120,281-557-9,83968-78-9,"1-amino-4-[[[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with acetic acid (1:1)","1-amino-4-({2-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone acetate",CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23.CC(=O)O,CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23.CC(=O)O,"InChI=1/C23H21N3O2.C2H4O2/c1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27;1-2(3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,3,4)",C23H21N3O2.C2H4O2,,,,,,MMQMSFPQUIIKJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.121,281-558-4,83968-79-0,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium methyl sulphate,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenzo[cd]indolium methyl sulfate,CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.COS(=O)(=O)[O-],CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.COS(=O)(=O)[O-],"InChI=1/C23H24BrN2.CH4O4S/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-5-6(2,3)4/h7-15H,4-6H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C23H24BrN2.CH3O4S,,,,,,QFWKOKMFIQDDFM-UHFFFAOYSA-M,,,,,,,,,,,
100.074.124,281-562-6,83968-82-5,2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate,"2-{[4-(dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate",[O-]C(C)=O.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]C(C)=O.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C17H19N4OS.C2H4O2/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;1-2(3)4/h5-11H,1-4H3;1H3,(H,3,4)/q+1;/p-1",C17H19N4OS.C2H3O2,,,,,,YTBZISFZICUXLO-UHFFFAOYSA-M,,,,,,,,,,,
100.075.759,283-362-4,84604-79-5,[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]triethylammonium bromide,"2-(4-benzoyl-3-hydroxyphenoxy)-N,N,N-triethylethanaminium bromide",[Br-].CC[N+](CC)(CC)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,[Br-].CC[N+](CC)(CC)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C21H27NO3.BrH/c1-4-22(5-2,6-3)14-15-25-18-12-13-19(20(23)16-18)21(24)17-10-8-7-9-11-17;/h7-13,16H,4-6,14-15H2,1-3H3;1H",C21H28NO3.Br,,,,,,KDVPCCLIBMLEJG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.766,283-370-8,84604-86-4,"4,5-dibromo-2-(4-nitrophenoxy)anisole","1,2-dibromo-4-methoxy-5-(4-nitrophenoxy)benzene",COc1cc(Br)c(Br)cc1Oc2ccc(cc2)[N+](=O)[O-],COc1cc(Br)c(Br)cc1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H9Br2NO4/c1-19-12-6-10(14)11(15)7-13(12)20-9-4-2-8(3-5-9)16(17)18/h2-7H,1H3",C13H9Br2NO4,,,,,,RJPFFSWADWMPCT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.769,283-373-4,84604-89-7,"1,1'-methylenebis[2,4-dichlorobenzene]","1,1'-methylenebis(2,4-dichlorobenzene)",Clc1ccc(Cc2ccc(Cl)cc2Cl)c(Cl)c1,Clc1ccc(Cc2ccc(Cl)cc2Cl)c(Cl)c1,"InChI=1/C13H8Cl4/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17/h1-4,6-7H,5H2",C13H8Cl4,,,,,,WVWJQTPTXDYDCM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.772,283-377-6,84604-92-2,"2,2'-methylenebis[3-chlorotoluene]","1,1'-methylenebis(2-chloro-6-methylbenzene)",Cc1cccc(Cl)c1Cc2c(C)cccc2Cl,Cc1cccc(Cl)c1Cc2c(C)cccc2Cl,"InChI=1/C15H14Cl2/c1-10-5-3-7-14(16)12(10)9-13-11(2)6-4-8-15(13)17/h3-8H,9H2,1-2H3",C15H14Cl2,,,,,,IPCSHCYNSPEQJG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.675,284-373-7,84852-59-5,"4-(allyloxy)-3,5-dibromobenzene","2-(allyloxy)-1,3-dibromobenzene",Brc1cccc(Br)c1OCC=C,Brc1cccc(Br)c1OCC=C,"InChI=1/C9H8Br2O/c1-2-6-12-9-7(10)4-3-5-8(9)11/h2-5H,1,6H2",C10H10Br2O,,,,,,WPIGGJYGGJHEJB-UHFFFAOYSA-N,,,,,,,,,,,
100.076.676,284-374-2,84861-79-0,"1-Hexadecanol, phosphate, potassium salt",-,[K+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[K+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-2",-,,,,,,RMGVATURDVPNOZ-UHFFFAOYSA-L,,,,,,,,,,,
100.046.327,250-976-9,32276-00-9,"S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate","S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate",O=C(Sc1nnnn1c2ccccc2)Sc3nnnn3c4ccccc4,O=C(Sc1nnnn1c2ccccc2)Sc3nnnn3c4ccccc4,InChI=1/C15H10N8OS2/c24-15(25-13-16-18-20-22(13)11-7-3-1-4-8-11)26-14-17-19-21-23(14)12-9-5-2-6-10-12/h1-10H,C15H10N8OS2,,,,,,JZUSHUIRRMERGV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.336,250-986-3,32315-10-9,Bis(trichloromethyl) carbonate,bis(trichloromethyl) carbonate,ClC(Cl)(Cl)OC(=O)OC(Cl)(Cl)Cl,ClC(Cl)(Cl)OC(=O)OC(Cl)(Cl)Cl,"InChI=1/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9",C3Cl6O3,,,,,,UCPYLLCMEDAXFR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.346,250-997-3,32342-59-9,Sodium D-glutamate,disodium 2-aminopentanedioate,[Na+].[Na+].N[C@H](CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].N[C@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",C5H9NO4.xNa,,,,,,PXEDJBXQKAGXNJ-HWYNEVGZSA-L,,,,,,,,,,,
100.070.379,277-440-7,73398-42-2,"Trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[[4-[(4-methoxyphenyl)amino]-3-sulphonatophenyl]azo]naphthalene-2,7-disulphonate","trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-({4-[(4-methoxyphenyl)amino]-3-sulfonatophenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc(Nc1ccc(OC)cc1)c(c2)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc(Nc1ccc(OC)cc1)c(c2)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C26H19Cl2N7O11S3.3Na/c1-46-15-5-2-13(3-6-15)29-17-7-4-14(10-19(17)48(40,41)42)34-35-22-20(49(43,44)45)9-12-8-16(47(37,38)39)11-18(21(12)23(22)36)30-26-32-24(27)31-25(28)33-26;;;/h2-11,29,36H,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33);;;/q;3*+1/p-3",C26H19Cl2N7O11S3.3Na,,,,,,ITTGUFVHVMZQNI-UHFFFAOYSA-K,,,,,,,,,,,
100.070.380,277-441-2,73398-43-3,"Pentasodium 4-amino-6-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","pentasodium 4-amino-6-({3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc4cc(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)ccc4S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc4cc(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)ccc4S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C25H17Cl2N9O16S5.5Na/c26-23-30-24(27)32-25(31-23)29-12-7-10(1-3-14(12)54(41,42)43)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(28)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,37H,28H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,29,30,31,32);;;;;/q;5*+1/p-5",C25H17Cl2N9O16S5.5Na,,,,,,PDTDSYLFAWSLDO-UHFFFAOYSA-I,,,,,,,,,,,
100.070.382,277-443-3,73398-45-5,"Sodium hydrogen 5-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate","sodium hydrogen 5-({4'-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-2-hydroxybenzoate",[H+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c(C)c5,[H+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c(C)c5,"InChI=1/C31H25N5O7S.Na.H2/c1-16-11-18(4-8-25(16)34-33-22-7-10-27(37)24(15-22)31(39)40)19-5-9-26(17(2)12-19)35-36-29-28(44(41,42)43)13-20-3-6-21(32)14-23(20)30(29)38;;/h3-15,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43);;1H/q;2*+1/p-2",C31H25N5O7S.Na,,,,,,FPPLXPFOEZVRDE-UHFFFAOYSA-M,,,,,,,,,,,
100.070.394,277-456-4,73398-81-9,"Trisodium 2-[4-[2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonate","trisodium 2-[3-sulfonato-4-(2-{2-sulfonato-4-[(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl}vinyl)phenyl]-2H-naphtho[1,2-d][1,2,3]triazole-5-sulfonate",[Na+].[Na+].[Na+].O=C6NC(=O)NC(=O)C6N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)n3nc4c2ccccc2c(cc4n3)S([O-])(=O)=O)c(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].O=C6NC(=O)NC(=O)C6N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)n3nc4c2ccccc2c(cc4n3)S([O-])(=O)=O)c(c5)S([O-])(=O)=O,"InChI=1/C28H19N7O12S3.3Na/c36-26-25(27(37)30-28(38)29-26)32-31-16-9-7-14(21(11-16)48(39,40)41)5-6-15-8-10-17(12-22(15)49(42,43)44)35-33-20-13-23(50(45,46)47)18-3-1-2-4-19(18)24(20)34-35;;;/h1-13,25H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,36,37,38);;;/q;3*+1/p-3",C28H19N7O12S3.3Na,,,,,,AMPKWFMDRHLIFQ-QBQCNTLMSA-K,,,,,,,,,,,
100.070.398,277-461-1,73404-00-9,a-[4-[2-(diethylamino)ethoxy]phenyl]-a-phenylphenethyl alcohol,"1-{4-[2-(diethylamino)ethoxy]phenyl}-1,2-diphenylethanol",CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccccc2)c3ccccc3,CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccccc2)c3ccccc3,"InChI=1/C26H31NO2/c1-3-27(4-2)19-20-29-25-17-15-24(16-18-25)26(28,23-13-9-6-10-14-23)21-22-11-7-5-8-12-22/h5-18,28H,3-4,19-21H2,1-2H3",C26H31NO2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18115,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.398,ZHLXWJSSVXYFJC-UHFFFAOYSA-N,,,,,,,,,,,
100.053.888,259-297-2,54696-41-2,N-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]sarcosine,N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-N-methylglycine,CN(CC(=O)O)Cc1c(O)ccc2C(=CC(=O)Oc12)C,CN(CC(=O)O)Cc1c(O)ccc2C(=CC(=O)Oc12)C,"InChI=1/C14H15NO5/c1-8-5-13(19)20-14-9(8)3-4-11(16)10(14)6-15(2)7-12(17)18/h3-5,16H,6-7H2,1-2H3,(H,17,18)",C14H15NO5,,,,,,MGGUJKYUDQUTSV-UHFFFAOYSA-N,,,,,,,,,,,
100.053.894,259-303-3,54716-02-8,Ethyl 3-(1-pyrrolidinyl)crotonate,ethyl 3-pyrrolidin-1-ylbut-2-enoate,CCOC(=O)\\C=C(\\C)/N1CCCC1,CCOC(=O)\C=C(\C)/N1CCCC1,"InChI=1/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3",C10H17NO2,,,,,,MSOQKPXSIHLODG-HJWRWDBZSA-N,,,,,,,,,,,
100.076.697,284-397-8,84878-07-9,3-carboxylato-1-[2-hydroxy-3-[(4-hydroxy-2-butenyl)oxy]propyl]pyridinium sodium chloride,sodium chloride - 1-{2-hydroxy-3-[(4-hydroxybut-2-en-1-yl)oxy]propyl}pyridinium-3-carboxylate (1:1),[Na+].[Cl-].O=C([O-])c1ccc[n+](CC(O)COCC=CCO)c1,[Na+].[Cl-].O=C([O-])c1ccc[n+](CC(O)COCC=CCO)c1,"InChI=1/C13H17NO5.ClH.Na/c15-6-1-2-7-19-10-12(16)9-14-5-3-4-11(8-14)13(17)18;;/h1-5,8,12,15-16H,6-7,9-10H2;1H;/q;;+1/p-1",C13H18NO5.Cl.Na,,,,,,HMUJISOTEUZKAL-UHFFFAOYSA-M,,,,,,,,,,,
100.076.701,284-401-8,84878-11-5,Dipotassium galactarate,"dipotassium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[K+].[K+].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],[K+].[K+].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],"InChI=1/C6H10O8.2K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2",C6H10O8.2K,,,,,,ZCTRSOMMTLXYCN-SXKXKJGMSA-L,,,,,,,,,,,
100.076.702,284-402-3,84878-13-7,Zinc galactarate,"zinc 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[Zn+2].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],[Zn+2].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],"InChI=1/C6H10O8.Zn/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2",C6H10O8.Zn,,,,,,UDUXSCSSSYZNKO-UEXKISHTSA-L,,,,,,,,,,,
100.076.729,284-432-7,84878-40-0,Potassium hydroxymethylbenzenesulphonate,potassium 2-(hydroxymethyl)benzenesulfonate,[K+].OCc1ccccc1S(=O)(=O)[O-],[K+].OCc1ccccc1S(=O)(=O)[O-],"InChI=1/C7H8O4S.K/c8-5-6-3-1-2-4-7(6)12(9,10)11;/h1-4,8H,5H2,(H,9,10,11);/q;+1/p-1",C7H8O4S.K,,,,,,QEKLWNXYICEHQO-UHFFFAOYSA-M,,,,,,,,,,,
100.076.738,284-442-1,84878-49-9,Zinc bis(octylphenolate),zinc bis(2-octylphenolate),[Zn+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-],[Zn+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-],"InChI=1/2C14H22O.Zn/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h2*8-9,11-12,15H,2-7,10H2,1H3;/q;;+2/p-2",C14H22O.1/2Zn,,,,,,DYPVJLXAFINGJI-UHFFFAOYSA-L,,,,,,,,,,,
100.076.740,284-444-2,84878-51-3,Cadmium bis(octylphenolate),cadmium bis(2-octylphenolate),[Cd+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-],[Cd+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-],"InChI=1/2C14H22O.Cd/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h2*8-9,11-12,15H,2-7,10H2,1H3;/q;;+2/p-2",C14H22O.1/2Cd,,,,,,SMPPDZASZJLOQJ-UHFFFAOYSA-L,,,,,,,,,,,
100.070.557,277-635-7,73913-64-1,Ethyl D-valinate hydrochloride,ethyl D-valinate hydrochloride,Cl.CCOC(=O)[C@H](N)C(C)C,Cl.CCOC(=O)[C@H](N)C(C)C,"InChI=1/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H",C7H15NO2.ClH,,,,,,PQGVTLQEKCJXKF-FYZOBXCZSA-N,,,,,,,,,,,
100.070.559,277-637-8,73927-14-7,(3-amino-3-carboxypropyl)dimethylsulphonium methyl sulphate,(3-amino-3-carboxypropyl)(dimethyl)sulfonium methyl sulfate,COS(=O)(=O)[O-].C[S+](C)CCC(N)C(=O)O,COS(=O)(=O)[O-].C[S+](C)CCC(N)C(=O)O,"InChI=1/C6H13NO2S.CH4O4S/c1-10(2)4-3-5(7)6(8)9;1-5-6(2,3)4/h5H,3-4,7H2,1-2H3;1H3,(H,2,3,4)",C6H14NO2S.CH3O4S,,,,,,IULHQXYGIGWUSH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.564,277-643-0,73932-63-5,2-chloro-1-[4-(2-phenylethyl)phenyl]ethan-1-one,2-chloro-1-[4-(2-phenylethyl)phenyl]ethanone,ClCC(=O)c1ccc(CCc2ccccc2)cc1,ClCC(=O)c1ccc(CCc2ccccc2)cc1,"InChI=1/C16H15ClO/c17-12-16(18)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,6-7,12H2",C16H15ClO,,,,,,CKNPQHZYZCDMFH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.566,277-645-1,73941-12-5,2'-(3-methoxybenzoyl)-1-naphthohydrazide,N'-(3-methoxybenzoyl)-1-naphthohydrazide,COc1cccc(c1)C(=O)NNC(=O)c2cccc3ccccc23,COc1cccc(c1)C(=O)NNC(=O)c2cccc3ccccc23,"InChI=1/C19H16N2O3/c1-24-15-9-4-8-14(12-15)18(22)20-21-19(23)17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)",C19H16N2O3,,,,,,MMJQUHDGIXJLMO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.576,277-656-1,74009-52-2,(R)-a-aminocyclohexadieneacetyl chloride hydrochloride,"amino(cyclohexa-1,3-dien-1-yl)acetyl chloride hydrochloride",Cl.N[C@@H](C(=O)Cl)C1=CC=CCC1,Cl.N[C@@H](C(=O)Cl)C1=CC=CCC1,"InChI=1/C8H10ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-2,4,7H,3,5,10H2;1H",C8H10ClNO.ClH,,,,,,FGBDQRGDHYNPBE-OGFXRTJISA-N,,,,,,,,,,,
100.063.227,269-570-8,68298-46-4,"2,3-dihydro-2,2-dimethylbenzofuran-7-amine","2,2-dimethyl-2,3-dihydro-1-benzofuran-7-amine",CC1(C)Cc2cccc(N)c2O1,CC1(C)Cc2cccc(N)c2O1,"InChI=1/C10H13NO/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6,11H2,1-2H3",C10H13NO,,,,,,LMTIGABGABPAGU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.229,269-572-9,68298-48-6,"2-hexyl-2-methyl-1,3-benzodioxole","2-hexyl-2-methyl-1,3-benzodioxole",CCCCCCC1(C)Oc2ccccc2O1,CCCCCCC1(C)Oc2ccccc2O1,"InChI=1/C14H20O2/c1-3-4-5-8-11-14(2)15-12-9-6-7-10-13(12)16-14/h6-7,9-10H,3-5,8,11H2,1-2H3",C14H20O2,,,,,,QFMCXXKXMZKMLW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.236,269-580-2,68298-75-9,2-[[[[5-[[[2-[ethyl[(undecafluoropentyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(5-{[(2-{ethyl[(undecafluoropentyl)sulfonyl]amino}ethoxy)carbonyl]amino}-2-methylphenyl)carbamoyl]oxy}propyl methacrylate,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C25H28F11N3O8S/c1-6-39(48(43,44)25(35,36)23(30,31)21(26,27)22(28,29)24(32,33)34)9-10-45-19(41)37-16-8-7-14(4)17(11-16)38-20(42)47-15(5)12-46-18(40)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,37,41)(H,38,42)",C25H28F11N3O8S,,,,,,OBPWLOPGKWGMTO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.253,282-804-3,84434-06-0,[[(9-oxo-9H-thioxanthen-2-yl)methyl]thio]acetic acid,{[(9-oxo-9H-thioxanthen-2-yl)methyl]sulfanyl}acetic acid,OC(=O)CSCc1ccc2Sc3ccccc3C(=O)c2c1,OC(=O)CSCc1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C16H12O3S2/c17-15(18)9-20-8-10-5-6-14-12(7-10)16(19)11-3-1-2-4-13(11)21-14/h1-7H,8-9H2,(H,17,18)",C16H12O3S2,,,,,,OAXDQBFKSFMEIN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.260,282-812-7,84434-13-9,"2-(1,1-dimethylethyl)anthracene-9,10-dithione","2-tert-butylanthracene-9,10-dithione",CC(C)(C)c1ccc2C(=S)c3ccccc3C(=S)c2c1,CC(C)(C)c1ccc2C(=S)c3ccccc3C(=S)c2c1,"InChI=1/C18H16S2/c1-18(2,3)11-8-9-14-15(10-11)17(20)13-7-5-4-6-12(13)16(14)19/h4-10H,1-3H3",C18H16S2,,,,,,STXMORBGLAAUAL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.262,282-814-8,84434-15-1,3-(2-ammonioethyl)-7-methyl-1H-indolium oxalate,3-(2-ammonioethyl)-7-methyl-1H-indolium oxalate,Cc1cccc2C(=C[NH+]c12)CC[NH3+].[O-]C(=O)C(=O)[O-],Cc1cccc2C(=C[NH+]c12)CC[NH3+].[O-]C(=O)C(=O)[O-],"InChI=1/C11H14N2.C2H2O4/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;3-1(4)2(5)6/h2-4,7,13H,5-6,12H2,1H3;(H,3,4)(H,5,6)",C11H14N2.C2H2O4,,,,,,VJQNPAYSYDIOGV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.270,282-823-7,84434-23-1,p-tert-butylcinnamaldehyde,3-(4-tert-butylphenyl)acrylaldehyde,CC(C)(C)c1ccc(\\C=C\\C=O)cc1,CC(C)(C)c1ccc(\C=C\C=O)cc1,"InChI=1/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3",C13H16O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12534,https://echa.europa.eu/substance-information/-/substanceinfo/100.075.270,ICSATJUWLAEQQU-SNAWJCMRSA-N,,,,,,,,,,,
100.077.269,285-026-2,85005-96-5,"O,O-diisobutyl hydrogen dithiophosphate, compound with 2-aminoethanol (1:1)","O,O-diisobutyl hydrogen dithiophosphate - 2-aminoethanol (1:1)",CC(C)COP(=S)(S)OCC(C)C.NCCO,CC(C)COP(=S)(S)OCC(C)C.NCCO,"InChI=1/C8H19O2PS2.C2H7NO/c1-7(2)5-9-11(12,13)10-6-8(3)4;3-1-2-4/h7-8H,5-6H2,1-4H3,(H,12,13);4H,1-3H2",C8H19O2PS2.C2H7NO,,,,,,SCSJVXGKYSGDNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.277,285-035-1,85006-04-8,"(R)-5,7-dimethylocta-1,6-diene","5,7-dimethylocta-1,6-diene",C[C@H](CCC=C)C=C(C)C,C[C@H](CCC=C)C=C(C)C,"InChI=1/C10H18/c1-5-6-7-10(4)8-9(2)3/h5,8,10H,1,6-7H2,2-4H3",C10H18,,,,,,FYZHLRMYDRUDES-SNVBAGLBSA-N,,,,,,,,,,,
100.077.279,285-037-2,85006-06-0,"2-aminoethyl (R)-1,4-dioxacycloicos-2-ylmethyl hydrogen phosphate","2-aminoethyl 1,4-dioxacycloicosan-2-ylmethyl hydrogen phosphate",O=P(O)(OCCN)OC[C@H]1COCCCCCCCCCCCCCCCCO1,O=P(O)(OCCN)OC[C@H]1COCCCCCCCCCCCCCCCCO1,"InChI=1/C21H44NO6P/c22-15-18-27-29(23,24)28-20-21-19-25-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-26-21/h21H,1-20,22H2,(H,23,24)",C21H44NO6P,,,,,,YZCUNXFZNBIBIK-OAQYLSRUSA-N,,,,,,,,,,,
100.077.292,285-051-9,85006-22-0,2-amino-6-(1-methylethyl)m-cresol hydrochloride,2-amino-6-isopropyl-3-methylphenol hydrochloride,Cl.CC(C)c1ccc(C)c(N)c1O,Cl.CC(C)c1ccc(C)c(N)c1O,"InChI=1/C10H15NO.ClH/c1-6(2)8-5-4-7(3)9(11)10(8)12;/h4-6,12H,11H2,1-3H3;1H",C10H15NO.ClH,,,,,,WGEKOPOQSIGQIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.300,285-060-8,85006-31-1,Methyl 3-amino-4-methyl-2-thenoate,methyl 3-amino-4-methylthiophene-2-carboxylate,COC(=O)c1scc(C)c1N,COC(=O)c1scc(C)c1N,"InChI=1/C7H9NO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,8H2,1-2H3",C7H9NO2S,,,,,,YICRPERKKBDRSP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.419,280-784-0,83783-50-0,3-(4-bromophenyl)-3-chloromethacrylaldehyde,3-(4-bromophenyl)-3-chloro-2-methylacrylaldehyde,C\\C(=C(/Cl)\\c1ccc(Br)cc1)\\C=O,C\C(=C(/Cl)\c1ccc(Br)cc1)\C=O,"InChI=1/C10H8BrClO/c1-7(6-13)10(12)8-2-4-9(11)5-3-8/h2-6H,1H3",C10H8BrClO,,,,,,PQJAQDUUQAVIGD-JXMROGBWSA-N,,,,,,,,,,,
100.073.428,280-794-5,83783-59-9,3-butyl-5-(3-ethylthiazolidin-2-ylidene)-2-thioxothiazolidin-4-one,"3'-butyl-3-ethyl-2'-thioxo-2,5'-bi-1,3-thiazolidin-4'-one",CCN2CCSC2=C1SC(=S)N(CCCC)C1=O,CCN2CCSC2=C1SC(=S)N(CCCC)C1=O,"InChI=1/C12H18N2OS3/c1-3-5-6-14-10(15)9(18-12(14)16)11-13(4-2)7-8-17-11/h3-8H2,1-2H3",C12H18N2OS3,,,,,,WCVARNXWMKUGKY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.429,280-795-0,83783-60-2,"1-ethyl-6-hydroxy-4,5-dimethyl-1H-pyrimidine-2-thione","1-ethyl-6-hydroxy-4,5-dimethylpyrimidine-2(1H)-thione",CCN1C(=S)N=C(C)C(=C1O)C,CCN1C(=S)N=C(C)C(=C1O)C,"InChI=1/C8H12N2OS/c1-4-10-7(11)5(2)6(3)9-8(10)12/h11H,4H2,1-3H3",C8H12N2OS,,,,,,KKZPEKPANFVAEE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.431,280-797-1,83783-62-4,"3,3'-[[3-carboxy-4-(methylimino)-2,5-cyclohexadien-1-ylidene]methylene]bis[6-(methylamino)benzoic] acid","3,3'-{[3-carboxy-4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methylene}bis[6-(methylamino)benzoic acid]",OC(=O)c1cc(ccc1NC)C(\\c2cc(C(O)=O)c(NC)cc2)=C3/C=C\\C(=NC)\\C(=C3)C(O)=O,OC(=O)c1cc(ccc1NC)C(\c2cc(C(O)=O)c(NC)cc2)=C3/C=C\C(=NC)\C(=C3)C(O)=O,"InChI=1/C25H23N3O6/c1-26-19-7-4-13(10-16(19)23(29)30)22(14-5-8-20(27-2)17(11-14)24(31)32)15-6-9-21(28-3)18(12-15)25(33)34/h4-12,26-27H,1-3H3,(H,29,30)(H,31,32)(H,33,34)",C25H23N3O6,,,,,,ZULHMUBGFATPLG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.440,280-806-9,83783-72-6,Ethyl 4-carbamoyl-4-(phenylamino)piperidine-1-carboxylate,ethyl 4-anilino-4-carbamoylpiperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)(Nc2ccccc2)C(=O)N,CCOC(=O)N1CCC(CC1)(Nc2ccccc2)C(=O)N,"InChI=1/C15H21N3O3/c1-2-21-14(20)18-10-8-15(9-11-18,13(16)19)17-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3,(H2,16,19)",C15H21N3O3,,,,,,HUXFLUGDDURGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.679,284-377-9,84864-55-1,"(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methyl acetate","(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methyl acetate",CC(=O)OCC1C2C(CC=C1C)C2(C)C,CC(=O)OCC1C2C(CC=C1C)C2(C)C,"InChI=1/C13H20O2/c1-8-5-6-11-12(13(11,3)4)10(8)7-15-9(2)14/h5,10-12H,6-7H2,1-4H3",C13H20O2,,,,,,MJGOVIGTDWZKNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.681,284-380-5,84864-57-3,"Calcium 2,2'-[ethylenebis(oxy)]bisacetate","calcium 2,2'-[ethane-1,2-diylbis(oxy)]diacetate",[Ca+2].[O-]C(=O)COCCOCC(=O)[O-],[Ca+2].[O-]C(=O)COCCOCC(=O)[O-],"InChI=1/C6H10O6.Ca/c7-5(8)3-11-1-2-12-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2",C6H10O6.Ca,,,,,,KVHWIQCOLIGYGJ-UHFFFAOYSA-L,,,,,,,,,,,
100.076.682,284-381-0,84864-58-4,"D-glucaric acid, aluminium salt",-,[Al+3].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[Al+3].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/C6H10O8.Al/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+3/p-2",C6H10O8.xAl,,,,,,OTBGLHUJAYPZLC-SBBOJQDXSA-L,,,,,,,,,,,
100.076.689,284-388-9,84864-65-3,(2-hydroxyethyl)(2-hydroxyhexadecyl)dimethylammonium fluoride,"2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium fluoride",[F-].CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO,[F-].CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO,"InChI=1/C20H44NO2.FH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-21(2,3)17-18-22;/h20,22-23H,4-19H2,1-3H3;1H/q+1;/p-1",C20H44NO2.F,,,,,,NWUIMHSUZKCLIG-UHFFFAOYSA-M,,,,,,,,,,,
100.076.692,284-392-0,84864-68-6,"Sodium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)quinoline-6-sulphonate","sodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6-sulfonate",[Na+].[O-]S(=O)(=O)c1ccc2nc(ccc2c1)C3C(=O)c4ccccc4C3=O,[Na+].[O-]S(=O)(=O)c1ccc2nc(ccc2c1)C3C(=O)c4ccccc4C3=O,"InChI=1/C18H11NO5S.Na/c20-17-12-3-1-2-4-13(12)18(21)16(17)15-7-5-10-9-11(25(22,23)24)6-8-14(10)19-15;/h1-9,16H,(H,22,23,24);/q;+1/p-1",C18H11NO5S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17349,https://echa.europa.eu/substance-information/-/substanceinfo/100.076.692,UDGALIJSGBPQCX-UHFFFAOYSA-M,,,,,,,,,,,
100.070.501,277-574-6,73724-43-3,"3-[(1,1-dimethylethyl)dithio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine",3-(tert-butyldisulfanyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine,CC(C)(C)SSC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CC(C)(C)SSC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C22H25NO4S2/c1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)",C22H25NO4S2,,,,,,ZDUMTHLUTJOUML-IBGZPJMESA-N,,,,,,,,,,,
100.070.516,277-590-3,73771-04-7,Prednicarbate,"17-[(ethoxycarbonyl)oxy]-11-hydroxy-3,20-dioxopregna-1,4-dien-21-yl propionate",CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC,CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC,"InChI=1/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3",C27H36O8,,,,,,FNPXMHRZILFCKX-KAJVQRHHSA-N,,,,,,,,,,,
100.070.519,277-594-5,73772-40-4,N-(3-aminopropyl)decan-1-amide,N-(3-aminopropyl)decanamide,CCCCCCCCCC(=O)NCCCN,CCCCCCCCCC(=O)NCCCN,"InChI=1/C13H28N2O/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14/h2-12,14H2,1H3,(H,15,16)",C13H28N2O,,,,,,PLJISUVFPNUOBK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.528,277-603-2,73775-71-0,3-methylhexane-3-thiol,3-methylhexane-3-thiol,CCCC(C)(S)CC,CCCC(C)(S)CC,"InChI=1/C7H16S/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3",C7H16S,,,,,,AAKKPKDORDWLSG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.530,277-605-3,73785-35-0,N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine dihydrochloride,1-cyano-3-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine dihydrochloride,Cl.Cl.CN\\C(=N\\CCSCc1nc[nH]c1C)\\NC#N,Cl.Cl.CN\C(=N\CCSCc1nc[nH]c1C)\NC#N,"InChI=1/C10H16N6S.2ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);2*1H",C10H16N6S.2ClH,,,,,,NEXYNVYEWBRXBG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.535,277-611-6,73793-80-3,"2,5-diaminobenzyl alcohol","(2,5-diaminophenyl)methanol",Nc1ccc(N)c(CO)c1,Nc1ccc(N)c(CO)c1,"InChI=1/C7H10N2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4,8-9H2",C7H10N2O,,,,,,NKNCGBHPGCHYCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.541,277-617-9,73816-75-8,"2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid","2-({6-[(4,6-dichloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)naphthalene-1,5-disulfonic acid",CN(c1nc(Cl)nc(Cl)n1)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O,CN(c1nc(Cl)nc(Cl)n1)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O,"InChI=1/C24H16Cl2N6O10S3/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)",C24H16Cl2N6O10S3,,,,,,XBOVMYYXPJSURC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.191,269-531-5,68277-68-9,"1,2-dimethyl-3-phenylaziridine","1,2-dimethyl-3-phenylaziridine",CC1C(N1C)c2ccccc2,CC1C(N1C)c2ccccc2,"InChI=1/C10H13N/c1-8-10(11(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3",C10H13N,,,,,,MKCZABZZOZOQTK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.192,269-532-0,68278-23-9,2-(difluoromethyl)-DL-ornithine monohydrochloride,2-(difluoromethyl)ornithine hydrochloride,Cl.NCCCC(N)(C(F)F)C(=O)O,Cl.NCCCC(N)(C(F)F)C(=O)O,"InChI=1/C6H12F2N2O2.ClH/c7-4(8)6(10,5(11)12)2-1-3-9;/h4H,1-3,9-10H2,(H,11,12);1H",C6H12F2N2O2.ClH,,,,,,VKDGNNYJFSHYKD-UHFFFAOYSA-N,,,,,,,,,,,
100.053.896,259-305-4,54723-19-2,Butyl 5-oxohexanoate,butyl 5-oxohexanoate,CCCCOC(=O)CCCC(=O)C,CCCCOC(=O)CCCC(=O)C,"InChI=1/C10H18O3/c1-3-4-8-13-10(12)7-5-6-9(2)11/h3-8H2,1-2H3",C10H18O3,,,,,,HCXCVKYQWKDKOS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.912,259-323-2,54757-48-1,"1-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-1,4-dien-3-ol","1-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-1,4-dien-3-ol",Cc1c(C)c(C=CC(C)(O)C=C)c(C)cc1OC,Cc1c(C)c(C=CC(C)(O)C=C)c(C)cc1OC,"InChI=1/C16H22O2/c1-7-16(5,17)9-8-14-11(2)10-15(18-6)13(4)12(14)3/h7-10,17H,1H2,2-6H3",C16H22O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18017,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.912,DLEFXRUYVNNBFL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.659,279-948-4,82432-29-9,"Succinic acid, compound with 3-[2-(allyloxy)phenoxy]-1-[(isopropyl)amino]propan-2-ol (1:2)",1-[2-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol succinate (2:1) (salt),CC(C)NCC(O)COc1ccccc1OCC=C.CC(C)NCC(O)COc2ccccc2OCC=C.OC(=O)CCC(=O)O,CC(C)NCC(O)COc1ccccc1OCC=C.CC(C)NCC(O)COc2ccccc2OCC=C.OC(=O)CCC(=O)O,"InChI=1/2C15H23NO3.C4H6O4/c2*1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;5-3(6)1-2-4(7)8/h2*4-8,12-13,16-17H,1,9-11H2,2-3H3;1-2H2,(H,5,6)(H,7,8)",C15H23NO3.1/2C4H6O4,,,,,,GCBNXKPVBKQNBC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.667,279-957-3,82457-15-6,"4,5,6,7-tetrabromo-3-[[2-methyl-3-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl]amino]-1H-isoindol-1-one","4,5,6,7-tetrabromo-3-({2-methyl-3-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}amino)-1H-isoindol-1-one",Cc1c(NC2=NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)cccc1NC4=NC(=O)c5c(Br)c(Br)c(Br)c(Br)c45,Cc1c(NC2=NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)cccc1NC4=NC(=O)c5c(Br)c(Br)c(Br)c(Br)c45,"InChI=1/C23H8Br4Cl4N4O2/c1-5-6(32-20-8-9(22(36)34-20)13(25)15(27)14(26)12(8)24)3-2-4-7(5)33-21-10-11(23(37)35-21)17(29)19(31)18(30)16(10)28/h2-4H,1H3,(H,32,34,36)(H,33,35,37)",C23H8Br4Cl4N4O2,,,,,,IICSZKNJENDEJR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.671,279-962-0,82457-19-0,2-[4-[(2-bromo-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl acetate,2-[{4-[(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl}(2-cyanoethyl)amino]ethyl acetate,CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc(cc2Br)[N+](=O)[O-])c(C)c1,CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc(cc2Br)[N+](=O)[O-])c(C)c1,"InChI=1/C20H20BrN5O4/c1-14-12-16(25(9-3-8-22)10-11-30-15(2)27)4-6-19(14)23-24-20-7-5-17(26(28)29)13-18(20)21/h4-7,12-13H,3,9-11H2,1-2H3",C20H20BrN5O4,,,,,,NJWTYPIIRUIFEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.672,279-963-6,82457-20-3,"N-[4-chloro-2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-methoxyethyl)amino]phenyl]acetamide","N-{4-chloro-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-methoxyethyl)amino]phenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(Cl)c(NCCOC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(Cl)c(NCCOC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C17H16Cl2N6O6/c1-9(26)21-14-8-13(20-3-4-31-2)11(18)7-15(14)22-23-17-12(19)5-10(24(27)28)6-16(17)25(29)30/h5-8,20H,3-4H2,1-2H3,(H,21,26)",C17H16Cl2N6O6,,,,,,IEGIWVASZVOXOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.673,279-964-1,82457-21-4,"2,7-Naphthalenedisulfonic acid, 5-[[4-[bis(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt","pentasodium 5-({4-[bis(2-hydroxyethyl)amino]-6-({5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc(OC)ccc7N=Nc2c(cc1cc(ccc1c2O)Nc3nc(nc(n3)N(CCO)CCO)Nc6cc(cc5cc(c(N=Nc4ccccc4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc(OC)ccc7N=Nc2c(cc1cc(ccc1c2O)Nc3nc(nc(n3)N(CCO)CCO)Nc6cc(cc5cc(c(N=Nc4ccccc4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C40H36N10O20S5.5Na/c1-70-23-7-9-27(30(18-23)73(61,62)63)47-48-34-31(74(64,65)66)16-20-14-22(6-8-25(20)36(34)53)41-38-43-39(45-40(44-38)50(10-12-51)11-13-52)42-28-19-24(71(55,56)57)15-21-17-32(75(67,68)69)35(37(54)33(21)28)49-46-26-4-2-3-5-29(26)72(58,59)60;;;;;/h2-9,14-19,51-54H,10-13H2,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,41,42,43,44,45);;;;;/q;5*+1/p-5",C40H36N10O20S5.5Na,,,,,,KBRZPIPSKMUDCR-UHFFFAOYSA-I,,,,,,,,,,,
100.072.680,279-972-5,82469-76-9,"Barium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoate","barium 2-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoate",[Ba+2].[O-]C(=O)c3ccccc3N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O,[Ba+2].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O,"InChI=1/C17H14N4O6S.Ba/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C17H14N4O6S.Ba,,,,,,UYBVUDJBJKBSBV-UHFFFAOYSA-L,,,,,,,,,,,
100.072.684,279-976-7,82486-82-6,2-(butylnitroamino)ethyl nitrate,2-[butyl(nitro)amino]ethyl nitrate,CCCCN(CCO[N+](=O)[O-])[N+](=O)[O-],CCCCN(CCO[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H13N3O5/c1-2-3-4-7(8(10)11)5-6-14-9(12)13/h2-6H2,1H3",C6H13N3O5,,,,,,TUIUTESNLKHOHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.689,279-981-4,82504-16-3,"1,1-dibutyl-3-methyl-3-phenylurea","1,1-dibutyl-3-methyl-3-phenylurea",CCCCN(CCCC)C(=O)N(C)c1ccccc1,CCCCN(CCCC)C(=O)N(C)c1ccccc1,"InChI=1/C16H26N2O/c1-4-6-13-18(14-7-5-2)16(19)17(3)15-11-9-8-10-12-15/h8-12H,4-7,13-14H2,1-3H3",C16H26N2O,,,,,,IEEBJIUHVRNCHY-UHFFFAOYSA-N,,,,,,,,,,,
100.063.244,269-589-1,68298-98-6,"Sodium 2,2-dimethyloctanoate","sodium 2,2-dimethyloctanoate",[Na+].CCCCCCC(C)(C)C(=O)[O-],[Na+].CCCCCCC(C)(C)C(=O)[O-],"InChI=1/C10H20O2.Na/c1-4-5-6-7-8-10(2,3)9(11)12;/h4-8H2,1-3H3,(H,11,12);/q;+1/p-1",C10H20O2.Na,,,,,,YAOHMWJKDDLNPH-UHFFFAOYSA-M,,,,,,,,,,,
100.063.257,269-604-1,68299-22-9,"Sodium butyl-2-hydroxy[1,1'-biphenyl]sulphonate","sodium 6-(2-butylphenyl)-1-hydroxycyclohexa-2,4-diene-1-sulfonate",[Na+].CCCCc1ccccc1C2C=CC=CC2(O)S(=O)(=O)[O-],[Na+].CCCCc1ccccc1C2C=CC=CC2(O)S(=O)(=O)[O-],"InChI=1/C16H20O4S.Na/c1-2-3-8-13-9-4-5-10-14(13)15-11-6-7-12-16(15,17)21(18,19)20;/h4-7,9-12,15,17H,2-3,8H2,1H3,(H,18,19,20);/q;+1/p-1",C16H18O4S.Na,,,,,,PFMUSHNUNZXKMX-UHFFFAOYSA-M,,,,,,,,,,,
100.063.260,269-607-8,68299-26-3,Pentabromo-ß-(tetrabromophenoxy)phenetole,"1,2,3,4,5-pentabromo-6-[2-(2,3,4,5-tetrabromophenoxy)ethoxy]benzene",Brc1cc(OCCOc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,Brc1cc(OCCOc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,"InChI=1/C14H5Br9O2/c15-4-3-5(7(17)8(18)6(4)16)24-1-2-25-14-12(22)10(20)9(19)11(21)13(14)23/h3H,1-2H2",C14H5Br9O2,,,,,,GFUDECFZQUUKCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.833,283-445-5,84642-67-1,"(octahydro-4,7-methano-1H-inden-5-yl)methyl 2-ethylhexanoate","octahydro-1H-4,7-methanoinden-5-ylmethyl 2-ethylhexanoate",CCCCC(CC)C(=O)OCC1CC2CC1C3CCCC23,CCCCC(CC)C(=O)OCC1CC2CC1C3CCCC23,"InChI=1/C19H32O2/c1-3-5-7-13(4-2)19(20)21-12-15-10-14-11-18(15)17-9-6-8-16(14)17/h13-18H,3-12H2,1-2H3",C19H32O2,,,,,,GWEYJKIUFUDTRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.376,285-144-4,85030-19-9,"Dipotassium 4-(benzoylamino)-5-hydroxynaphthalene-2,7-disulphonate","dipotassium 4-(benzoylamino)-5-hydroxynaphthalene-2,7-disulfonate",[K+].[K+].Oc1cc(cc2cc(cc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].[K+].Oc1cc(cc2cc(cc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C17H13NO8S2.2K/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C17H13NO8S2.2K,,,,,,ZATXXPSITRJFHO-UHFFFAOYSA-L,,,,,,,,,,,
100.077.378,285-147-0,85030-22-4,2-[(4-amino-m-tolyl)azo]-3-methylbenzothiazolium methyl sulphate,"2-[(4-amino-3-methylphenyl)diazenyl]-3-methyl-1,3-benzothiazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.Cc1cc(ccc1N)N=Nc3sc2ccccc2[n+]3C,[O-]S(=O)(=O)OC.Cc1cc(ccc1N)N=Nc3sc2ccccc2[n+]3C,"InChI=1/C15H14N4S.CH4O4S/c1-10-9-11(7-8-12(10)16)17-18-15-19(2)13-5-3-4-6-14(13)20-15;1-5-6(2,3)4/h3-9,16H,1-2H3;1H3,(H,2,3,4)",C15H15N4S.CH3O4S,,,,,,HSKOFFVAVDVROK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.380,285-149-1,85030-25-7,"Sodium p-[[3,5-dibromo-4-[[p-[(2-cyanoethyl)ethylamino]phenyl]azo]phenyl]azo]benzenesulphonate","sodium 4-{[3,5-dibromo-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)phenyl]diazenyl}benzenesulfonate",[Na+].Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CCC#N)N=Nc3ccc(cc3)S([O-])(=O)=O,[Na+].Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CCC#N)N=Nc3ccc(cc3)S([O-])(=O)=O,"InChI=1/C23H20Br2N6O3S.Na/c1-2-31(13-3-12-26)19-8-4-16(5-9-19)28-30-23-21(24)14-18(15-22(23)25)29-27-17-6-10-20(11-7-17)35(32,33)34;/h4-11,14-15H,2-3,13H2,1H3,(H,32,33,34);/q;+1/p-1",C23H20Br2N6O3S.Na,,,,,,MJBZYVNHNACHCV-UHFFFAOYSA-M,,,,,,,,,,,
100.076.743,284-447-9,84878-54-6,"4-methyl-2-[1-(o-tolyl)ethyl]-1,3-dioxolane","4-methyl-2-[1-(2-methylphenyl)ethyl]-1,3-dioxolane",CC(C1OCC(C)O1)c2ccccc2C,CC(C1OCC(C)O1)c2ccccc2C,"InChI=1/C13H18O2/c1-9-6-4-5-7-12(9)11(3)13-14-8-10(2)15-13/h4-7,10-11,13H,8H2,1-3H3",C13H18O2,,,,,,OWXKXAJVEXCJMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.502,279-775-4,81499-27-6,"2-ethyl-N,N-dimethylhexanamide","2-ethyl-N,N-dimethylhexanamide",CCCCC(CC)C(=O)N(C)C,CCCCC(CC)C(=O)N(C)C,"InChI=1/C10H21NO/c1-5-7-8-9(6-2)10(12)11(3)4/h9H,5-8H2,1-4H3",C10H21NO,,,,,,YVAKVTNKLMUNBR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.503,279-777-5,81514-95-6,Tin(4+) 2-methylpropanolate,tin(4+) tetrakis(2-methylpropan-1-olate),[Sn+4].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-],[Sn+4].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-],"InChI=1/4C4H9O.Sn/c4*1-4(2)3-5;/h4*4H,3H2,1-2H3;/q4*-1;+4",C4H10O.1/4Sn,,,,,,NULQMZXCJBXGSN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.505,279-779-6,81531-58-0,"2-[2-(diethylamino)ethyl]-9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazolium acetate","2-[2-(diethylamino)ethyl]-9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate",CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1.CC(=O)[O-],CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1.CC(=O)[O-],"InChI=1/C23H27N3O.C2H4O2/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23;1-2(3)4/h7-10,13-14,27H,5-6,11-12H2,1-4H3;1H3,(H,3,4)",C23H28N3O.C2H3O2,,,,,,WHMNPIDOCVCZKA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.516,279-791-1,81646-13-1,Docosyltrimethylammonium methyl sulphate,"N,N,N-trimethyldocosan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C25H54N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;1-5-6(2,3)4/h5-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C25H54N.CH3O4S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11466,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.516,QIVLQXGSQSFTIF-UHFFFAOYSA-M,,,,,,,,,,,
100.073.442,280-809-5,83783-74-8,Ethyl [(4-phenyl-4-piperidyl)methyl]carbamate,ethyl [(4-phenylpiperidin-4-yl)methyl]carbamate,CCOC(=O)NCC1(CCNCC1)c2ccccc2,CCOC(=O)NCC1(CCNCC1)c2ccccc2,"InChI=1/C15H22N2O2/c1-2-19-14(18)17-12-15(8-10-16-11-9-15)13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3,(H,17,18)",C15H22N2O2,,,,,,SGQKAQRPCIENHM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.196,279-440-2,80284-63-5,2-chloro-5-formylbenzenesulphonic acid,2-chloro-5-formylbenzenesulfonic acid,OS(=O)(=O)c1cc(C=O)ccc1Cl,OS(=O)(=O)c1cc(C=O)ccc1Cl,"InChI=1/C7H5ClO4S/c8-6-2-1-5(4-9)3-7(6)13(10,11)12/h1-4H,(H,10,11,12)",C7H5ClO4S,,,,,,WASOCELOYFJJIU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.202,279-447-0,80301-65-1,"6-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]naphthalene-2-sulphonic acid","6-({2,4-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc4cc5c(O)c(N=Nc3cc(cc([N+]([O-])=O)c3O)S(O)(=O)=O)c(cc5cc4)S(O)(=O)=O,Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc4cc5c(O)c(N=Nc3cc(cc([N+]([O-])=O)c3O)S(O)(=O)=O)c(cc5cc4)S(O)(=O)=O,"InChI=1/C28H18N8O14S2/c37-22-8-7-19(28(40)24(22)33-29-14-3-5-16(6-4-14)35(41)42)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44/h1-12,37-40H,(H,45,46,47)(H,48,49,50)",C28H18N8O14S2,,,,,,WVNXEHATLOGIKX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.204,279-449-1,80314-58-5,p-(2-methoxyethyl)anisole,1-methoxy-4-(2-methoxyethyl)benzene,COCCc1ccc(OC)cc1,COCCc1ccc(OC)cc1,"InChI=1/C10H14O2/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-6H,7-8H2,1-2H3",C10H14O2,,,,,,VRHBKUJDGWQGPD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.205,279-450-7,80336-34-1,(4-chloro-2-tetradecylphenoxy)acetyl chloride,(4-chloro-2-tetradecylphenoxy)acetyl chloride,CCCCCCCCCCCCCCc1cc(Cl)ccc1OCC(=O)Cl,CCCCCCCCCCCCCCc1cc(Cl)ccc1OCC(=O)Cl,"InChI=1/C22H34Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17-20(23)15-16-21(19)26-18-22(24)25/h15-17H,2-14,18H2,1H3",C22H34Cl2O2,,,,,,VPBWHKSVCFGLLI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.206,279-451-2,80370-33-8,"p-tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","4-methylphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Cc1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1,Cc1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1,"InChI=1/C17H12N2O4S/c1-11-5-7-12(8-6-11)23-24(21,22)16-4-2-3-14-13(16)9-10-15(19-18)17(14)20/h2-10H,1H3",C17H12N2O4S,,,,,,IYVXYACGWZOENU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.207,279-452-8,80387-97-9,"2-ethylhexyl [[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]acetate","2-ethylhexyl [(3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl]acetate",CCCCC(CC)COC(=O)CSCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCCCC(CC)COC(=O)CSCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C25H42O3S/c1-9-11-12-18(10-2)15-28-22(26)17-29-16-19-13-20(24(3,4)5)23(27)21(14-19)25(6,7)8/h13-14,18,27H,9-12,15-17H2,1-8H3",C25H42O3S,,,,,,SPDKDTGZSHRXIT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.213,279-459-6,80410-33-9,"Tris[2-[[2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]amine","2-[(2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy]-N,N-bis{2-[(2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy]ethyl}ethanamine",CC(C)(C)c1cc2c(OP(OCCN(CCOP3Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)c5cc(cc(c5O3)C(C)(C)C)C(C)(C)C)CCOP6Oc7c(cc(cc7C(C)(C)C)C(C)(C)C)c8cc(cc(c8O6)C(C)(C)C)C(C)(C)C)Oc9c2cc(cc9C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C,CC(C)(C)c1cc2c(OP(OCCN(CCOP3Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)c5cc(cc(c5O3)C(C)(C)C)C(C)(C)C)CCOP6Oc7c(cc(cc7C(C)(C)C)C(C)(C)C)c8cc(cc(c8O6)C(C)(C)C)C(C)(C)C)Oc9c2cc(cc9C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C,"InChI=1/C90H132NO9P3/c1-79(2,3)55-43-61-62-44-56(80(4,5)6)50-68(86(22,23)24)74(62)96-101(95-73(61)67(49-55)85(19,20)21)92-40-37-91(38-41-93-102-97-75-63(45-57(81(7,8)9)51-69(75)87(25,26)27)64-46-58(82(10,11)12)52-70(76(64)98-102)88(28,29)30)39-42-94-103-99-77-65(47-59(83(13,14)15)53-71(77)89(31,32)33)66-48-60(84(16,17)18)54-72(78(66)100-103)90(34,35)36/h43-54H,37-42H2,1-36H3",C90H132NO9P3,,,,,,YAGPRJYCDKGWJR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.216,279-462-2,80417-97-6,"5,6-dihydro-3,6-dimethyl-4H-benzofuran-2-one","3,6-dimethyl-5,6-dihydro-1-benzofuran-2(4H)-one",CC1CCC2=C(C)C(=O)OC2=C1,CC1CCC2=C(C)C(=O)OC2=C1,"InChI=1/C10H12O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5-6H,3-4H2,1-2H3",C10H12O2,,,,,,ZRTWVYJNKXXDDT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.217,279-463-8,80419-51-8,"Trisodium 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]naphthalene-2,7-disulphonate","trisodium 5-acetamido-4-hydroxy-3-({4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)carbamoyl]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)NC(=O)c2ccc(cc2)N=Nc4c(cc3cc(cc(NC(C)=O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)NC(=O)c2ccc(cc2)N=Nc4c(cc3cc(cc(NC(C)=O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C27H24N4O15S4.3Na/c1-15(32)28-22-14-21(48(37,38)39)11-17-12-23(49(40,41)42)25(26(33)24(17)22)31-30-18-7-5-16(6-8-18)27(34)29-19-3-2-4-20(13-19)47(35,36)10-9-46-50(43,44)45;;;/h2-8,11-14,33H,9-10H2,1H3,(H,28,32)(H,29,34)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C27H24N4O15S4.3Na,,,,,,DPEUGRLBPCIGMU-UHFFFAOYSA-K,,,,,,,,,,,
100.072.218,279-464-3,80430-23-5,Methyl 2-[(methylsulphonyl)oxy]-5-nitrobenzoate,methyl 2-[(methylsulfonyl)oxy]-5-nitrobenzoate,COC(=O)c1cc(ccc1OS(=O)(=O)C)[N+](=O)[O-],COC(=O)c1cc(ccc1OS(=O)(=O)C)[N+](=O)[O-],"InChI=1/C9H9NO7S/c1-16-9(11)7-5-6(10(12)13)3-4-8(7)17-18(2,14)15/h3-5H,1-2H3",C9H9NO7S,,,,,,BDSHDAZYGZUZQM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.193,269-533-6,68279-54-9,"6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-diol","6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-diol",CCc1ccc2c(O)c3CCCCc3c(O)c2c1,CCc1ccc2c(O)c3CCCCc3c(O)c2c1,"InChI=1/C16H18O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9,17-18H,2-6H2,1H3",C16H18O2,,,,,,CCJCCAFGRJMKIR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.197,269-537-8,68298-05-5,"(2-hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate",1-hydroxy-2-methylpropan-2-aminium 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)[O-].CC(C)([NH3+])CO,Cc1ccc(cc1)S(=O)(=O)[O-].CC(C)([NH3+])CO,"InChI=1/C7H8O3S.C4H11NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(2,5)3-6/h2-5H,1H3,(H,8,9,10);6H,3,5H2,1-2H3",C7H8O3S.C4H11NO,,,,,,WCZPIHSRNOTNQU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.207,269-548-8,68298-22-6,Disodium N-[2-(carboxylatomethoxy)ethyl]-N-[2-[(1-oxodecyl)amino]ethyl]glycinate,disodium {[2-(carboxylatomethoxy)ethyl][2-(decanoylamino)ethyl]amino}acetate,[Na+].[Na+].CCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-],"InChI=1/C18H34N2O6.2Na/c1-2-3-4-5-6-7-8-9-16(21)19-10-11-20(14-17(22)23)12-13-26-15-18(24)25;;/h2-15H2,1H3,(H,19,21)(H,22,23)(H,24,25);;/q;2*+1/p-2",C18H34N2O6.2Na,,,,,,QUOSBWWYRCGTMI-UHFFFAOYSA-L,,,,,,,,,,,
100.063.213,269-555-6,68298-31-7,"Bis(9,10-dibromooctadecyl) hydrogen phosphate","bis(9,10-dibromooctadecyl) hydrogen phosphate",CCCCCCCCC(Br)C(Br)CCCCCCCCOP(=O)(O)OCCCCCCCCC(Br)C(Br)CCCCCCCC,CCCCCCCCC(Br)C(Br)CCCCCCCCOP(=O)(O)OCCCCCCCCC(Br)C(Br)CCCCCCCC,"InChI=1/C36H71Br4O4P/c1-3-5-7-9-15-21-27-33(37)35(39)29-23-17-11-13-19-25-31-43-45(41,42)44-32-26-20-14-12-18-24-30-36(40)34(38)28-22-16-10-8-6-4-2/h33-36H,3-32H2,1-2H3,(H,41,42)",C36H71Br4O4P,,,,,,GDKGEORXADBULN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.216,269-558-2,68298-35-1,"4-ethoxy-2,6-dipropyl-1,3-dioxane","4-ethoxy-2,6-dipropyl-1,3-dioxane",CCCC1CC(OCC)OC(CCC)O1,CCCC1CC(OCC)OC(CCC)O1,"InChI=1/C12H24O3/c1-4-7-10-9-12(13-6-3)15-11(14-10)8-5-2/h10-12H,4-9H2,1-3H3",C12H24O3,,,,,,RPALXJBZCMATOD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.219,269-561-9,68298-38-4,"3,3'-[(dibutylstannylene)bis(thio)]bis(propane-1,2-diol)","3,3'-[(dibutylstannanediyl)disulfanediyl]dipropane-1,2-diol",CCCC[Sn](CCCC)(SCC(O)CO)SCC(O)CO,CCCC[Sn](CCCC)(SCC(O)CO)SCC(O)CO,"InChI=1/2C4H9.2C3H8O2S.Sn/c2*1-3-4-2;2*4-1-3(5)2-6;/h2*1,3-4H2,2H3;2*3-6H,1-2H2;/q;;;;+2/p-2/rC14H32O4S2Sn/c1-3-5-7-21(8-6-4-2,19-11-13(17)9-15)20-12-14(18)10-16/h13-18H,3-12H2,1-2H3",C14H32O4S2Sn,,,,,,BPZBMXMGCUKIDL-UHFFFAOYSA-L,,,,,,,,,,,
100.075.819,283-429-8,84625-60-5,"1-benzyl-4,5-dihydro-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-1H-imidazolium chloride","1-benzyl-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc2ccccc2,[Cl-].CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc2ccccc2,"InChI=1/C29H51N2O.ClH/c1-27(2)18-14-11-9-7-5-3-4-6-8-10-12-17-21-29-30-22-23-31(29,24-25-32)26-28-19-15-13-16-20-28;/h13,15-16,19-20,27,32H,3-12,14,17-18,21-26H2,1-2H3;1H/q+1;/p-1",C29H51N2O.Cl,,,,,,IZHSCDOXRKNGBC-UHFFFAOYSA-M,,,,,,,,,,,
100.075.821,283-431-9,84642-55-7,1-methyl-2-oxopropyl phenylacetate,1-methyl-2-oxopropyl phenylacetate,CC(OC(=O)Cc1ccccc1)C(=O)C,CC(OC(=O)Cc1ccccc1)C(=O)C,"InChI=1/C12H14O3/c1-9(13)10(2)15-12(14)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3",C12H14O3,,,,,,GIIKAFRAYAIAAR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.827,283-438-7,84642-61-5,1-methyl-2-oxopropyl butyrate,1-methyl-2-oxopropyl butyrate,CCCC(=O)OC(C)C(=O)C,CCCC(=O)OC(C)C(=O)C,"InChI=1/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3",C8H14O3,,,,,,LJDWJXUIGKSETE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.831,283-442-9,84642-65-9,"2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol","2-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}ethanol",CN(C)CC(C)(C)CNCCO,CN(C)CC(C)(C)CNCCO,"InChI=1/C9H22N2O/c1-9(2,8-11(3)4)7-10-5-6-12/h10,12H,5-8H2,1-4H3",C9H22N2O,,,,,,SATBRZBUHWPNPR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.700,284-400-2,84878-10-4,"Galactaric acid, aluminium salt",-,[Al+3].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],[Al+3].O[C@H]([C@H](O)[C@@H](O)C(=O)[O-])[C@H](O)C(=O)[O-],"InChI=1/C6H10O8.Al/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+3/p-2",C6H10O8.xAl,,,,,,OTBGLHUJAYPZLC-UEXKISHTSA-L,,,,,,,,,,,
100.076.704,284-404-4,84878-15-9,Dialuminium tris[D-glucarate],dialuminium tris[D-glucarate],[Al+3].[Al+3].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[Al+3].[Al+3].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/3C6H10O8.2Al/c3*7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h3*1-4,7-10H,(H,11,12)(H,13,14);;/q;;;2*+3/p-6",C6H10O8.2/3Al,,,,,,MDBWNKIVVXMWEI-GFPJEPEZSA-H,,,,,,,,,,,
100.076.728,284-431-1,84878-39-7,Aluminium tris(hydroxytoluenesulphonate),aluminum tris(2-hydroxy-6-methylbenzenesulfonate),[Al+3].Cc1cccc(O)c1S(=O)(=O)[O-].Cc2cccc(O)c2S(=O)(=O)[O-].Cc3cccc(O)c3S(=O)(=O)[O-],[Al+3].Cc1cccc(O)c1S(=O)(=O)[O-].Cc2cccc(O)c2S(=O)(=O)[O-].Cc3cccc(O)c3S(=O)(=O)[O-],"InChI=1/3C7H8O4S.Al/c3*1-5-3-2-4-6(8)7(5)12(9,10)11;/h3*2-4,8H,1H3,(H,9,10,11);/q;;;+3/p-3",C7H8O4S.1/3Al,,,,,,RWQWDOOHUHCZIQ-UHFFFAOYSA-K,,,,,,,,,,,
100.046.347,250-998-9,32345-19-0,"(3ß,22E,24<U+03BE>)-stigmasta-5,22-dien-3-ol","stigmasta-5,22-dien-3-ol",CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,"InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3",C29H48O,,,,,,HCXVJBMSMIARIN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.352,251-004-6,32349-41-0,"N-(3,4,5-trimethoxybenzylidene)aniline","N-(3,4,5-trimethoxybenzylidene)aniline",COc1c(cc(cc1OC)C=Nc2ccccc2)OC,COc1c(cc(cc1OC)C=Nc2ccccc2)OC,"InChI=1/C16H17NO3/c1-18-14-9-12(10-15(19-2)16(14)20-3)11-17-13-7-5-4-6-8-13/h4-11H,1-3H3",C16H17NO3,,,,,,JJPMRGWGWAUSRL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.354,251-006-7,32350-16-6,"3,5-dimethyl-2-propylpyrazine","3,5-dimethyl-2-propylpyrazine",CCCc1ncc(C)nc1C,CCCc1ncc(C)nc1C,"InChI=1/C9H14N2/c1-4-5-9-8(3)11-7(2)6-10-9/h6H,4-5H2,1-3H3",C9H14N2,,,,,,UTRAUCDSVCDVIW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.357,251-009-3,32353-63-2,"3-(2-carboxyethyl)-2,5-dimethylbenzoxazolium bromide","3-(2-carboxyethyl)-2,5-dimethyl-1,3-benzoxazol-3-ium bromide",[Br-].Cc1ccc2oc(C)[n+](CCC(=O)O)c2c1,[Br-].Cc1ccc2oc(C)[n+](CCC(=O)O)c2c1,"InChI=1/C12H13NO3.BrH/c1-8-3-4-11-10(7-8)13(9(2)16-11)6-5-12(14)15;/h3-4,7H,5-6H2,1-2H3;1H",C12H14NO3.Br,,,,,,MCXMTZZEGBGKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.358,251-010-9,32357-46-3,"2-butoxyethyl 4-(2,4-dichlorophenoxy)butyrate","2-butoxyethyl 4-(2,4-dichlorophenoxy)butanoate",CCCCOCCOC(=O)CCCOc1ccc(Cl)cc1Cl,CCCCOCCOC(=O)CCCOc1ccc(Cl)cc1Cl,"InChI=1/C16H22Cl2O4/c1-2-3-8-20-10-11-22-16(19)5-4-9-21-15-7-6-13(17)12-14(15)18/h6-7,12H,2-5,8-11H2,1H3",C16H22Cl2O4,,,,,,IRLJKGHTPKJLFX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.364,251-017-7,32366-01-1,"3,3-dibromodihydro-5-methylfuran-2(3H)-one","3,3-dibromo-5-methyldihydrofuran-2(3H)-one",CC1CC(Br)(Br)C(=O)O1,CC1CC(Br)(Br)C(=O)O1,"InChI=1/C5H6Br2O2/c1-3-2-5(6,7)4(8)9-3/h3H,2H2,1H3",C5H6Br2O2,,,,,,ZGAQFUHQCCPCMV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.367,251-020-3,32388-55-9,"[3R-(3a,3aß,7ß,8aa)]-1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one",1-cedr-8-en-9-ylethanone,C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(=C3C)C(=O)C,C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(=C3C)C(=O)C,"InChI=1/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3",C17H26O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12524,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.367,YBUIAJZFOGJGLJ-SWRJLBSHSA-N,,,,,,,,,,,
100.046.625,251-303-1,32953-23-4,"Diethyl [[N-ethyl-3,4-(methylenedioxy)anilino]methylene]malonate","diethyl {[3H-1,2-benzodioxol-6-yl(ethyl)amino]methylene}malonate",CCOC(=O)C(=CN(CC)c1ccc2COOc2c1)C(=O)OCC,CCOC(=O)C(=CN(CC)c1ccc2COOc2c1)C(=O)OCC,"InChI=1/C17H21NO6/c1-4-18(13-8-7-12-11-23-24-15(12)9-13)10-14(16(19)21-5-2)17(20)22-6-3/h7-10H,4-6,11H2,1-3H3",C17H21NO6,,,,,,YGKGQIJMMJYNSM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.630,251-308-9,32958-55-7,"(trans)-3,3,5-trimethylcyclohexylamine","3,3,5-trimethylcyclohexanamine",CC1CC(N)CC(C)(C)C1,CC1CC(N)CC(C)(C)C1,"InChI=1/C9H19N/c1-7-4-8(10)6-9(2,3)5-7/h7-8H,4-6,10H2,1-3H3",C9H19N,,,,,,ZGMQLPDXPUINCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.631,251-309-4,32958-56-8,"(cis)-3,3,5-trimethylcyclohexylamine","3,3,5-trimethylcyclohexanamine",CC1CC(N)CC(C)(C)C1,CC1CC(N)CC(C)(C)C1,"InChI=1/C9H19N/c1-7-4-8(10)6-9(2,3)5-7/h7-8H,4-6,10H2,1-3H3",C9H19N,,,,,,ZGMQLPDXPUINCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.634,251-313-6,32970-45-9,2-(tert-butoxy)butane,sec-butyl tert-butyl ether,CCC(C)OC(C)(C)C,CCC(C)OC(C)(C)C,"InChI=1/C8H18O/c1-6-7(2)9-8(3,4)5/h7H,6H2,1-5H3",C8H18O,,,,,,WMZNUJPPIPVIOD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.643,251-323-0,32988-50-4,Viomycin,"3,6-diamino-N-[3-(2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl)-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]hexanamide",O[C@H]/1C[C@@H](NC(\\N)=N\\1)[C@@H]2NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)CCCN)CNC2=O,O[C@H]/1C[C@@H](NC(\N)=N\1)[C@@H]2NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)CCCN)CNC2=O,"InChI=1/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)",C25H43N13O10,,,,,,GXFAIFRPOKBQRV-XYMATORPSA-N,,,,,,,,,,,
100.070.402,277-465-3,73410-13-6,2-(isopropyl)-N-(1-methylpropyl)-5-methylcyclohexanecarboxamide,N-sec-butyl-2-isopropyl-5-methylcyclohexanecarboxamide,CCC(C)NC(=O)C1CC(C)CCC1C(C)C,CCC(C)NC(=O)C1CC(C)CCC1C(C)C,"InChI=1/C15H29NO/c1-6-12(5)16-15(17)14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3,(H,16,17)",C15H29NO,,,,,,QRNRDDOCTUBDCB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.404,277-467-4,73422-72-7,(R)-5-(hydroxymethyl)-3-(4-hydroxyphenyl)oxazolidin-2-one,"5-(hydroxymethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one",OC[C@H]1CN(C(=O)O1)c2ccc(O)cc2,OC[C@H]1CN(C(=O)O1)c2ccc(O)cc2,"InChI=1/C10H11NO4/c12-6-9-5-11(10(14)15-9)7-1-3-8(13)4-2-7/h1-4,9,12-13H,5-6H2",C10H11NO4,,,,,,WVULNOZIAYBGLE-SECBINFHSA-N,,,,,,,,,,,
100.070.408,277-472-1,73431-52-4,"N,N-dimethyl-p-vinylphenethylamine","N,N-dimethyl-2-(4-vinylphenyl)ethanamine",CN(C)CCc1ccc(C=C)cc1,CN(C)CCc1ccc(C=C)cc1,"InChI=1/C12H17N/c1-4-11-5-7-12(8-6-11)9-10-13(2)3/h4-8H,1,9-10H2,2-3H3",C12H17N,,,,,,OHDSHGBRKMRPHC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.518,279-793-2,81660-38-0,"1-(2,2-dimethylpropionyloxy)ethyl 3-hydroxy-a-methyl-L-tyrosinate","1-[(2,2-dimethylpropanoyl)oxy]ethyl 3-hydroxy-alpha-methyl-L-tyrosinate",CC(OC(=O)C(C)(C)C)OC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1,CC(OC(=O)C(C)(C)C)OC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1,"InChI=1/C17H25NO6/c1-10(23-14(21)16(2,3)4)24-15(22)17(5,18)9-11-6-7-12(19)13(20)8-11/h6-8,10,19-20H,9,18H2,1-5H3",C17H25NO6,,,,,,IFDYIWPAJKYNTO-LKDXBUKQSA-N,,,,,,,,,,,
100.072.520,279-795-3,81700-63-2,2-benzylideneglutaraldehyde,2-benzylidenepentanedial,O=CC(CCC=O)=Cc1ccccc1,O=CC(CCC=O)=Cc1ccccc1,"InChI=1/C12H12O2/c13-8-4-7-12(10-14)9-11-5-2-1-3-6-11/h1-3,5-6,8-10H,4,7H2",C12H12O2,,,,,,HAYKPICIXKOWSF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.523,279-799-5,81705-97-7,"L-arginine, compound with N-acetyl-L-methionine (1:1)",N-acetyl-L-methionine - L-arginine (1:1),CSCC[C@H](NC(=O)C)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,CSCC[C@H](NC(=O)C)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C7H13NO3S.C6H14N4O2/c1-5(9)8-6(7(10)11)3-4-12-2;7-4(5(11)12)2-1-3-10-6(8)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C7H13NO3S.C6H14N4O2,,,,,,CUJDLRZIRYADAB-FPAZSGHZSA-N,,,,,,,,,,,
100.072.524,279-800-9,81711-69-5,"4-[(2-chloro-4,6-dinitrophenyl)azo]-N,N-diethyl-2,5-dimethoxyaniline","4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-2,5-dimethoxyaniline",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1OC)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1OC)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H20ClN5O6/c1-5-22(6-2)14-10-16(29-3)13(9-17(14)30-4)20-21-18-12(19)7-11(23(25)26)8-15(18)24(27)28/h7-10H,5-6H2,1-4H3",C18H20ClN5O6,,,,,,KEMVMBHOGQWFSN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.594,277-676-0,74037-50-6,3-ethoxy-2-nitropyridine,3-ethoxy-2-nitropyridine,CCOc1cccnc1[N+](=O)[O-],CCOc1cccnc1[N+](=O)[O-],"InChI=1/C7H8N2O3/c1-2-12-6-4-3-5-8-7(6)9(10)11/h3-5H,2H2,1H3",C7H8N2O3,,,,,,WBEVIQNYYGPESH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.596,277-678-1,74039-63-7,"7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione hydrochloride","7-(2-aminoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CN1C(=O)N(C)c2ncn(CCN)c2C1=O,Cl.CN1C(=O)N(C)c2ncn(CCN)c2C1=O,"InChI=1/C9H13N5O2.ClH/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7;/h5H,3-4,10H2,1-2H3;1H",C9H13N5O2.xClH,,,,,,POOHRJCIRTYEQE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.622,277-707-8,74082-06-7,Isobutyl 2-ethylbutyrate,isobutyl 2-ethylbutanoate,CCC(CC)C(=O)OCC(C)C,CCC(CC)C(=O)OCC(C)C,"InChI=1/C10H20O2/c1-5-9(6-2)10(11)12-7-8(3)4/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,SAWRJLRKAZYKPM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.381,285-150-7,85030-26-8,"Sodium 3-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonate","sodium 3-({4-[(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)benzenesulfonate",[Na+].Cc3nnc(C)c3N=Nc2cc(OC)c(N=Nc1cccc(c1)S([O-])(=O)=O)cc2OC,[Na+].Cc3nnc(C)c3N=Nc2cc(OC)c(N=Nc1cccc(c1)S([O-])(=O)=O)cc2OC,"InChI=1/C19H20N6O5S.Na/c1-11-19(12(2)21-20-11)25-24-16-10-17(29-3)15(9-18(16)30-4)23-22-13-6-5-7-14(8-13)31(26,27)28;/h5-10H,1-4H3,(H,20,21)(H,26,27,28);/q;+1/p-1",C19H20N6O5S.Na,,,,,,LPGZJEXEZCVFHN-UHFFFAOYSA-M,,,,,,,,,,,
100.077.388,285-158-0,85030-33-7,"1,1'-[(butylimino)bis(2-hydroxypropane-1,3-diyl)]bis[4-[2-[4-(dimethylamino)phenyl]vinyl]pyridinium] dichloride","1,1'-[(butylimino)bis(2-hydroxypropane-3,1-diyl)]bis(4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium) dichloride",[Cl-].[Cl-].CCCCN(CC(O)C[n+]1ccc(\\C=C\\c2ccc(cc2)N(C)C)cc1)CC(O)C[n+]3ccc(\\C=C\\c4ccc(cc4)N(C)C)cc3,[Cl-].[Cl-].CCCCN(CC(O)C[n+]1ccc(\C=C\c2ccc(cc2)N(C)C)cc1)CC(O)C[n+]3ccc(\C=C\c4ccc(cc4)N(C)C)cc3,"InChI=1/C40H53N5O2.2ClH/c1-6-7-24-45(31-39(46)29-43-25-20-35(21-26-43)10-8-33-12-16-37(17-13-33)41(2)3)32-40(47)30-44-27-22-36(23-28-44)11-9-34-14-18-38(19-15-34)42(4)5;;/h8-23,25-28,39-40,46-47H,6-7,24,29-32H2,1-5H3;2*1H/q+2;;/p-2",C40H53N5O2.2Cl,,,,,,HWSMWUODYQMKMX-UHFFFAOYSA-L,,,,,,,,,,,
100.077.403,285-174-8,85030-49-5,"2,4-dinonylphenyl bis(4-nonylphenyl) phosphite","2,4-dinonylphenyl bis(4-nonylphenyl) phosphite",CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc3ccc(CCCCCCCCC)cc3CCCCCCCCC)cc1,CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc3ccc(CCCCCCCCC)cc3CCCCCCCCC)cc1,"InChI=1/C54H87O3P/c1-5-9-13-17-21-25-29-33-48-37-42-52(43-38-48)55-58(56-53-44-39-49(40-45-53)34-30-26-22-18-14-10-6-2)57-54-46-41-50(35-31-27-23-19-15-11-7-3)47-51(54)36-32-28-24-20-16-12-8-4/h37-47H,5-36H2,1-4H3",C54H87O3P,,,,,,LDLQMIVOOISNKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.405,285-176-9,85030-51-9,2-[(1-methylpropyl)thio]anthraquinone,"2-(sec-butylsulfanyl)-9,10-anthraquinone",CCC(C)Sc1ccc2C(=O)c3ccccc3C(=O)c2c1,CCC(C)Sc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C18H16O2S/c1-3-11(2)21-12-8-9-15-16(10-12)18(20)14-7-5-4-6-13(14)17(15)19/h4-11H,3H2,1-2H3",C18H16O2S,,,,,,QAWRKOAZXKWDJF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.407,285-179-5,85030-53-1,3-hydroxy-2-(methoxymethyl)-2-methylpropionaldehyde,3-hydroxy-2-(methoxymethyl)-2-methylpropanal,COCC(C)(CO)C=O,COCC(C)(CO)C=O,"InChI=1/C6H12O3/c1-6(3-7,4-8)5-9-2/h3,8H,4-5H2,1-2H3",C6H12O3,,,,,,IGLBINVHKGTFGH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.412,285-184-2,85030-58-6,5-chloro-2-(4-chlorophenoxy)anilinium sulphate (2:1),bis[5-chloro-2-(4-chlorophenoxy)anilinium] sulfate,[NH3+]c1cc(Cl)ccc1Oc2ccc(Cl)cc2.[NH3+]c3cc(Cl)ccc3Oc4ccc(Cl)cc4.[O-]S(=O)(=O)[O-],[NH3+]c1cc(Cl)ccc1Oc2ccc(Cl)cc2.[NH3+]c3cc(Cl)ccc3Oc4ccc(Cl)cc4.[O-]S(=O)(=O)[O-],"InChI=1/2C12H9Cl2NO.H2O4S/c2*13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15;1-5(2,3)4/h2*1-7H,15H2;(H2,1,2,3,4)",C12H9Cl2NO.1/2H2O4S,,,,,,BXZNIHUPARFOGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.221,279-468-5,80440-11-5,Ethyl 5-[[4-[[2-(allyloxy)ethoxy]carbonyl]phenyl]azo]-3-cyano-6-hydroxy-4-methyl-2-oxo-2H-pyridine-1-acetate,"2-(allyloxy)ethyl 4-{[5-cyano-1-(2-ethoxy-2-oxoethyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazenyl}benzoate",O=C(CN2C(/O)=C(/N=Nc1ccc(cc1)C(=O)OCCOCC=C)\\C(\\C)=C(\\C#N)C2=O)OCC,O=C(CN2C(/O)=C(/N=Nc1ccc(cc1)C(=O)OCCOCC=C)\C(\C)=C(\C#N)C2=O)OCC,"InChI=1/C23H24N4O7/c1-4-10-32-11-12-34-23(31)16-6-8-17(9-7-16)25-26-20-15(3)18(13-24)21(29)27(22(20)30)14-19(28)33-5-2/h4,6-9,30H,1,5,10-12,14H2,2-3H3",C23H24N4O7,,,,,,UKCLNQPDZZWTMI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.291,282-846-2,84434-47-9,"[4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate","N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate",CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CC(=O)[O-],CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CC(=O)[O-],"InChI=1/C24H27N3.C2H4O2/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;1-2(3)4/h6-17H,1-5H3;1H3,(H,3,4)",C24H28N3.C2H3O2,,,,,,QLHKOYRLMLXSDU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.292,282-847-8,84434-48-0,"Disodium p-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 4-(5-hydroxy-3-methyl-4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrazol-1-yl)benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O,"InChI=1/C21H18N4O8S2.2Na/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33;;/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C21H18N4O8S2.2Na,,,,,,IJEBXJPLSURLAE-UHFFFAOYSA-L,,,,,,,,,,,
100.075.295,282-850-4,84434-51-5,"Hexasodium 6,13-dichloro-3,10-bis[[2-[[4-chloro-6-[(2,4-disulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]triphenodioxazine-4,11-disulphonate","hexasodium 6,13-dichloro-3,10-bis{[2-({4-chloro-6-[(2,4-disulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)ethyl]amino}[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCNc3ccc4N=C5C(=C6Oc7c(ccc(NCCNc8nc(Cl)nc(Nc9ccc(cc9S(=O)(=O)[O-])S(=O)(=O)[O-])n8)c7S(=O)(=O)[O-])N=C6C(=C5Oc4c3S(=O)(=O)[O-])Cl)Cl)n2)c(c1)S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCNc3ccc4N=C5C(=C6Oc7c(ccc(NCCNc8nc(Cl)nc(Nc9ccc(cc9S(=O)(=O)[O-])S(=O)(=O)[O-])n8)c7S(=O)(=O)[O-])N=C6C(=C5Oc4c3S(=O)(=O)[O-])Cl)Cl)n2)c(c1)S(=O)(=O)[O-],"InChI=1/C40H30Cl4N14O20S6.6Na/c41-25-28-32(78-30-20(50-28)6-8-22(34(30)84(74,75)76)46-10-12-48-38-54-36(44)56-40(58-38)52-18-4-2-16(80(62,63)64)14-24(18)82(68,69)70)26(42)27-31(25)77-29-19(49-27)5-7-21(33(29)83(71,72)73)45-9-11-47-37-53-35(43)55-39(57-37)51-17-3-1-15(79(59,60)61)13-23(17)81(65,66)67;;;;;;/h1-8,13-14,45-46H,9-12H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,47,51,53,55,57)(H2,48,52,54,56,58);;;;;;/q;6*+1/p-6",C40H30Cl4N14O20S6.6Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11210,https://echa.europa.eu/substance-information/-/substanceinfo/100.075.295,LNXCMNGXHAOOOW-UHFFFAOYSA-H,,,,,,,,,,,
100.075.301,282-857-2,84434-57-1,"Trisodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]naphthalene-1,5-disulphonate","trisodium 3-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3C)c4cc(ccc45)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3C)c4cc(ccc45)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C31H24ClN9O9S3.3Na/c1-15-11-26(16(2)10-25(15)40-38-17-12-22-20(28(13-17)53(48,49)50)4-3-5-27(22)52(45,46)47)41-39-24-9-8-23(34-31-36-29(32)35-30(33)37-31)19-7-6-18(14-21(19)24)51(42,43)44;;;/h3-14H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H3,33,34,35,36,37);;;/q;3*+1/p-3",C31H24ClN9O9S3.3Na,,,,,,VQUVUAWDYNXRIM-UHFFFAOYSA-K,,,,,,,,,,,
100.075.302,282-858-8,84434-58-2,"Tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 3-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O)nc(Cl)n7,[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O)c5cc(ccc56)S([O-])(=O)=O)nc(Cl)n7,"InChI=1/C33H22ClN9O12S4.4Na/c34-31-37-32(35)39-33(38-31)36-25-8-9-28(22-14-17(56(44,45)46)4-6-19(22)25)43-42-26-10-11-27(23-15-18(57(47,48)49)5-7-20(23)26)41-40-16-12-24-21(30(13-16)59(53,54)55)2-1-3-29(24)58(50,51)52;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4",C33H22ClN9O12S4.4Na,,,,,,BFGORUIXPULGPD-UHFFFAOYSA-J,,,,,,,,,,,
100.076.730,284-433-2,84878-41-1,Magnesium bis(hydroxytoluenesulphonate),magnesium bis(2-hydroxy-6-methylbenzenesulfonate),[Mg+2].Cc1cccc(O)c1S(=O)(=O)[O-].Cc2cccc(O)c2S(=O)(=O)[O-],[Mg+2].Cc1cccc(O)c1S(=O)(=O)[O-].Cc2cccc(O)c2S(=O)(=O)[O-],"InChI=1/2C7H8O4S.Mg/c2*1-5-3-2-4-6(8)7(5)12(9,10)11;/h2*2-4,8H,1H3,(H,9,10,11);/q;;+2/p-2",C7H8O4S.1/2Mg,,,,,,DNEKCYBGTTXIKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.076.735,284-439-5,84878-46-6,[[(aminocyclohexyl)amino]methyl]phenol,2-{[(1-aminocyclohexyl)amino]methyl}phenol,NC1(CCCCC1)NCc2ccccc2O,NC1(CCCCC1)NCc2ccccc2O,"InChI=1/C13H20N2O/c14-13(8-4-1-5-9-13)15-10-11-6-2-3-7-12(11)16/h2-3,6-7,15-16H,1,4-5,8-10,14H2",C13H20N2O,,,,,,NTCJIMMJFPFSIF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.545,277-622-6,73850-50-7,2-carboxypropyl methacrylate,3-(methacryloyloxy)-2-methylpropanoic acid,CC(COC(=O)C(=C)C)C(=O)O,CC(COC(=O)C(=C)C)C(=O)O,"InChI=1/C8H12O4/c1-5(2)8(11)12-4-6(3)7(9)10/h6H,1,4H2,2-3H3,(H,9,10)",C8H12O4,,,,,,JPVKGOUOYQMHDD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.549,277-626-8,73866-23-6,5-(bromoacetyl)salicylamide,5-(bromoacetyl)-2-hydroxybenzamide,NC(=O)c1cc(ccc1O)C(=O)CBr,NC(=O)c1cc(ccc1O)C(=O)CBr,"InChI=1/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)",C9H8BrNO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18629,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.549,VXWSXLSUWGZOHD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.554,277-632-0,73912-20-6,"4,8-dicyclohexyl-2,10-dimethyl-6-(octadecyloxy)-12H-dibenzo[d,g][1,3,2]dioxaphosphocin","4,8-dicyclohexyl-2,10-dimethyl-6-(octadecyloxy)-12H-dibenzo[d,g][1,3,2]dioxaphosphocine",CCCCCCCCCCCCCCCCCCOP1Oc2c(Cc3cc(C)cc(C4CCCCC4)c3O1)cc(C)cc2C5CCCCC5,CCCCCCCCCCCCCCCCCCOP1Oc2c(Cc3cc(C)cc(C4CCCCC4)c3O1)cc(C)cc2C5CCCCC5,"InChI=1/C45H71O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-46-49-47-44-40(31-36(2)33-42(44)38-26-21-19-22-27-38)35-41-32-37(3)34-43(45(41)48-49)39-28-23-20-24-29-39/h31-34,38-39H,4-30,35H2,1-3H3",C45H71O3P,,,,,,WBZZEDPMJDXDFA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.555,277-633-6,73912-21-7,"4,8-dicyclohexyl-6-hydroxy-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin","4,8-dicyclohexyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-ol",Cc1cc2Cc3cc(C)cc(C4CCCCC4)c3OP(O)Oc2c(c1)C5CCCCC5,Cc1cc2Cc3cc(C)cc(C4CCCCC4)c3OP(O)Oc2c(c1)C5CCCCC5,"InChI=1/C27H35O3P/c1-18-13-22-17-23-14-19(2)16-25(21-11-7-4-8-12-21)27(23)30-31(28)29-26(22)24(15-18)20-9-5-3-6-10-20/h13-16,20-21,28H,3-12,17H2,1-2H3",C27H35O3P,,,,,,PFUFEQATNPTGNA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.558,277-636-2,73918-56-6,p-bromophenethylamine,2-(4-bromophenyl)ethanamine,NCCc1ccc(Br)cc1,NCCc1ccc(Br)cc1,"InChI=1/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2",C8H10BrN,,,,,,ZSZCXAOQVBEPME-UHFFFAOYSA-N,,,,,,,,,,,
100.070.565,277-644-6,73936-65-9,Oxiranylmethyl 2-ethylhexanoate,oxiran-2-ylmethyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCC1CO1,CCCCC(CC)C(=O)OCC1CO1,"InChI=1/C11H20O3/c1-3-5-6-9(4-2)11(12)14-8-10-7-13-10/h9-10H,3-8H2,1-2H3",C11H20O3,,,,,,CZKVZZHFMXVDHP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.568,277-647-2,73947-30-5,2-ethylhexyl decanoate,2-ethylhexyl decanoate,CCCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C18H36O2/c1-4-7-9-10-11-12-13-15-18(19)20-16-17(6-3)14-8-5-2/h17H,4-16H2,1-3H3",C18H36O2,,,,,,XEYIWOWYMLEPSD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.574,277-654-0,73966-59-3,"3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridyl)butyl]-1H-indole monohydrochloride","3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indole hydrochloride",Cl.C(CCc1c[nH]c2ccccc12)CN3CCC(=CC3)c4ccccc4,Cl.C(CCc1c[nH]c2ccccc12)CN3CCC(=CC3)c4ccccc4,"InChI=1/C23H26N2.ClH/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23;/h1-5,8-9,11-13,18,24H,6-7,10,14-17H2;1H",C23H26N2.ClH,,,,,,OIGIUJXJIKZROX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.228,269-571-3,68298-47-5,"Bis[2,3-dihydro-2,2-dimethyl-7-benzofurandiazonium] sulphate","bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-diazonium) sulfate",CC1(C)Cc2cccc([N+]#N)c2O1.CC3(C)Cc4cccc([N+]#N)c4O3.[O-]S(=O)(=O)[O-],CC1(C)Cc2cccc([N+]#N)c2O1.CC3(C)Cc4cccc([N+]#N)c4O3.[O-]S(=O)(=O)[O-],"InChI=1/2C10H11N2O.H2O4S/c2*1-10(2)6-7-4-3-5-8(12-11)9(7)13-10;1-5(2,3)4/h2*3-5H,6H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",C10H11N2O.1/2O4S,,,,,,OCNHESJYHUXIAA-UHFFFAOYSA-L,,,,,,,,,,,
100.063.234,269-578-1,68298-73-7,2-[[[[5-[[[2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(5-{[(2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethoxy)carbonyl]amino}-2-methylphenyl)carbamoyl]oxy}propyl methacrylate,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C27H28F15N3O8S/c1-6-45(54(49,50)27(41,42)25(36,37)23(32,33)21(28,29)22(30,31)24(34,35)26(38,39)40)9-10-51-19(47)43-16-8-7-14(4)17(11-16)44-20(48)53-15(5)12-52-18(46)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,43,47)(H,44,48)",C27H28F15N3O8S,,,,,,RPJIZRHOCVMSSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.409,277-473-7,73447-48-0,"2-[(4-amino-2-chlorophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride","2-[(4-amino-2-chlorophenyl)diazenyl]-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium chloride",[Cl-].CN2/C=C\\[NH+](C)C2N=Nc1ccc(N)cc1Cl,[Cl-].CN2/C=C\[NH+](C)C2N=Nc1ccc(N)cc1Cl,"InChI=1/C11H14ClN5.ClH/c1-16-5-6-17(2)11(16)15-14-10-4-3-8(13)7-9(10)12;/h3-7,11H,13H2,1-2H3;1H",C11H13ClN5.Cl,,,,,,QLVXPXCZIAHCBN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.410,277-474-2,73455-11-5,"1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt","trisodium 4-[(4-{3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}-6-chloro-1,3,5-triazin-2-yl)amino]-6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzene-1,3-disulfonate",[Na+].[Na+].[Na+].O=C5/C(=C(/C)\\C(\\N=Nc4cc(Nc1nc(nc(Cl)n1)c3ccc(c(Nc2nc(N)nc(Cl)n2)c3)S([O-])(=O)=O)c(cc4S([O-])(=O)=O)S([O-])(=O)=O)=C(\\O)N5CC)C(N)=O,[Na+].[Na+].[Na+].O=C5/C(=C(/C)\C(\N=Nc4cc(Nc1nc(nc(Cl)n1)c3ccc(c(Nc2nc(N)nc(Cl)n2)c3)S([O-])(=O)=O)c(cc4S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N5CC)C(N)=O,"InChI=1/C27H23Cl2N13O12S3.3Na/c1-3-42-21(44)17(19(30)43)9(2)18(22(42)45)41-40-13-7-12(15(56(49,50)51)8-16(13)57(52,53)54)33-26-35-20(34-23(28)37-26)10-4-5-14(55(46,47)48)11(6-10)32-27-38-24(29)36-25(31)39-27;;;/h4-8,45H,3H2,1-2H3,(H2,30,43)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,33,34,35,37)(H3,31,32,36,38,39);;;/q;3*+1/p-3",C27H23Cl2N13O12S3.3Na,,,,,,YJGQQTXABJUWJQ-UHFFFAOYSA-K,,,,,,,,,,,
100.070.412,277-476-3,73467-19-3,(2-isobutoxymethylethoxy)propanol,1-(3-isobutoxypropoxy)propan-1-ol,CCC(O)OCCCOCC(C)C,CCC(O)OCCCOCC(C)C,"InChI=1/C10H22O3/c1-4-10(11)13-7-5-6-12-8-9(2)3/h9-11H,4-8H2,1-3H3",C10H22O3,,,,,,JUNROQQDOPTPMX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.414,277-478-4,73486-91-6,"3,3,5-trimethylcyclohexyl N-acetylanthranilate","3,3,5-trimethylcyclohexyl 2-acetamidobenzoate",CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2NC(=O)C,CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2NC(=O)C,"InChI=1/C18H25NO3/c1-12-9-14(11-18(3,4)10-12)22-17(21)15-7-5-6-8-16(15)19-13(2)20/h5-8,12,14H,9-11H2,1-4H3,(H,19,20)",C18H25NO3,,,,,,ZHKXQINATDRSHN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.416,277-481-0,73489-84-6,Diethyl 3-hydroxy-3-methylglutarate,diethyl 3-hydroxy-3-methylpentanedioate,CCOC(=O)CC(C)(O)CC(=O)OCC,CCOC(=O)CC(C)(O)CC(=O)OCC,"InChI=1/C10H18O5/c1-4-14-8(11)6-10(3,13)7-9(12)15-5-2/h13H,4-7H2,1-3H3",C10H18O5,,,,,,RFTWLMJKXJXJSI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.937,259-351-5,54790-01-1,2-bromo-1-[4-[(1-methylethyl)thio]phenyl]propan-1-one,2-bromo-1-[4-(isopropylsulfanyl)phenyl]propan-1-one,CC(C)Sc1ccc(cc1)C(=O)C(C)Br,CC(C)Sc1ccc(cc1)C(=O)C(C)Br,"InChI=1/C12H15BrOS/c1-8(2)15-11-6-4-10(5-7-11)12(14)9(3)13/h4-9H,1-3H3",C12H15BrOS,,,,,,PHBMGVHJJJLLDG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.940,259-354-1,54798-28-6,5-amino-6-cyanopyrazin-2-yl acetate,5-amino-6-cyanopyrazin-2-yl acetate,CC(=O)Oc1cnc(N)c(n1)C#N,CC(=O)Oc1cnc(N)c(n1)C#N,"InChI=1/C7H6N4O2/c1-4(12)13-6-3-10-7(9)5(2-8)11-6/h3H,1H3,(H2,9,10)",C8H8N4O2,,,,,,MGSUAOQQFDZKHY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.942,259-356-2,54805-02-6,"4-[(1-butyl-5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridyl)azo]-N-(2-ethylhexyl)benzenesulphonamide","4-[(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]-N-(2-ethylhexyl)benzenesulfonamide",CCC(CCCC)CNS(=O)(=O)c1ccc(cc1)N=N\\C2=C(/C)\\C(\\C#N)=C(\\O)N(CCCC)C2=O,CCC(CCCC)CNS(=O)(=O)c1ccc(cc1)N=N\C2=C(/C)\C(\C#N)=C(\O)N(CCCC)C2=O,"InChI=1/C25H35N5O4S/c1-5-8-10-19(7-3)17-27-35(33,34)21-13-11-20(12-14-21)28-29-23-18(4)22(16-26)24(31)30(25(23)32)15-9-6-2/h11-14,19,27,31H,5-10,15,17H2,1-4H3",C25H35N5O4S,,,,,,ZGWIHQVDQSMSDT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.946,259-360-4,54815-13-3,"1,1-diethoxynonane","1,1-diethoxynonane",CCCCCCCCC(OCC)OCC,CCCCCCCCC(OCC)OCC,"InChI=1/C13H28O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h13H,4-12H2,1-3H3",C13H28O2,,,,,,RJMSGTVQHHFVLK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.948,259-363-0,54819-86-2,Butyl 2-chloropropionate,butyl 2-chloropropanoate,CCCCOC(=O)C(C)Cl,CCCCOC(=O)C(C)Cl,"InChI=1/C7H13ClO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5H2,1-2H3",C7H13ClO2,,,,,,KATNUXHENWPMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.951,259-366-7,54830-47-6,"13,14-dihydrobisbenzothiazolo[3,2-d:2',3'-g][1,4]diazepin-12-ium bromide","13,14-dihydro[1,3]benzothiazolo[3',2':4,5][1,4]diazepino[7,1-b][1,3]benzothiazol-12-ium bromide",[Br-].C1C[n+]2c(C=C3Sc4ccccc4N13)sc5ccccc25,[Br-].C1C[n+]2c(C=C3Sc4ccccc4N13)sc5ccccc25,"InChI=1/C17H13N2S2.BrH/c1-3-7-14-12(5-1)18-9-10-19-13-6-2-4-8-15(13)21-17(19)11-16(18)20-14;/h1-8,11H,9-10H2;1H/q+1;/p-1",C17H13N2S2.Br,,,,,,GOALYCOKLUSVFO-UHFFFAOYSA-M,,,,,,,,,,,
100.053.962,259-378-2,54863-80-8,(Z)-nonacos-14-ene,nonacos-14-ene,CCCCCCCCCCCCCC\\C=C/CCCCCCCCCCCCC,CCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCC,"InChI=1/C29H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29H,3-26,28H2,1-2H3",C29H58,,,,,,WPSGBOIGKHHPCJ-OHYPFYFLSA-N,,,,,,,,,,,
100.053.971,259-388-7,54903-12-7,6-benzoylbenzoxazol-2(3H)-one,"6-benzoyl-1,3-benzoxazol-2(3H)-one",O=C(c1ccccc1)c2ccc3NC(=O)Oc3c2,O=C(c1ccccc1)c2ccc3NC(=O)Oc3c2,"InChI=1/C14H9NO3/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)",C14H9NO3,,,,,,FNIQWNQNMXTVJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.416,285-188-4,85030-62-2,"3-oxo-N-phenyl-2-(1H-1,2,4-triazol-3-ylazo)butyramide","3-oxo-N-phenyl-2-(4H-1,2,4-triazol-3-yldiazenyl)butanamide",CC(=O)C(N=Nc1ncnn1)C(=O)Nc2ccccc2,CC(=O)C(N=Nc1ncnn1)C(=O)Nc2ccccc2,"InChI=1/C12H12N6O2/c1-8(19)10(16-18-12-13-7-14-17-12)11(20)15-9-5-3-2-4-6-9/h2-7,10H,1H3,(H,15,20)(H,13,14,17)",C12H12N6O2,,,,,,APVVINPHMLWROB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.537,279-815-0,81782-77-6,4-methyl-3-decen-5-ol,4-methyldec-3-en-5-ol,CCC=C(C)C(O)CCCCC,CCC=C(C)C(O)CCCCC,"InChI=1/C11H22O/c1-4-6-7-9-11(12)10(3)8-5-2/h8,11-12H,4-7,9H2,1-3H3",C11H22O,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12744,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.537,WSTQLNQRVZNEDV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.540,279-818-7,81785-53-7,3-[3-(dimethylamino)phenoxy]propan-1-ol,3-[3-(dimethylamino)phenoxy]propan-1-ol,CN(C)c1cccc(OCCCO)c1,CN(C)c1cccc(OCCCO)c1,"InChI=1/C11H17NO2/c1-12(2)10-5-3-6-11(9-10)14-8-4-7-13/h3,5-6,9,13H,4,7-8H2,1-2H3",C11H17NO2,,,,,,IXODHHLQCGJFBY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.543,279-821-3,81786-72-3,"2,3-dimethyl-2-(1,1,2-trimethylpropyl)oxirane","2,3-dimethyl-2-(1,1,2-trimethylpropyl)oxirane",CC(C)C(C)(C)C1(C)OC1C,CC(C)C(C)(C)C1(C)OC1C,"InChI=1/C10H20O/c1-7(2)9(4,5)10(6)8(3)11-10/h7-8H,1-6H3",C10H20O,,,,,,PVMVAUMLCODUKN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.544,279-822-9,81786-73-4,"(Z)-3,4,5,6,6-pentamethylhept-3-en-2-one","3,4,5,6,6-pentamethylhept-3-en-2-one",CC(\\C(=C(\\C)/C(=O)C)\\C)C(C)(C)C,CC(\C(=C(\C)/C(=O)C)\C)C(C)(C)C,"InChI=1/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3",C12H22O,,,,,,IXIYWQIFBRZMNR-HJWRWDBZSA-N,,,,,,,,,,,
100.072.548,279-827-6,81786-81-4,"5,6,7,8,8-pentamethylnon-5-en-4-one","5,6,7,8,8-pentamethylnon-5-en-4-one",CC(C)(C)C(C)C(C)=C(C)C(=O)CCC,CC(C)(C)C(C)C(C)=C(C)C(=O)CCC,"InChI=1/C14H26O/c1-8-9-13(15)11(3)10(2)12(4)14(5,6)7/h12H,8-9H2,1-7H3",C14H26O,,,,,,NVESPKGSUJHQDO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.561,279-841-2,81870-64-6,Dichloro[2-[(chloromethyl)phenyl]ethyl]methylsilane,dichloro{2-[2-(chloromethyl)phenyl]ethyl}methylsilane,C[Si](Cl)(Cl)CCc1ccccc1CCl,C[Si](Cl)(Cl)CCc1ccccc1CCl,"InChI=1/C10H13Cl3Si/c1-14(12,13)7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3",C10H13Cl3Si,,,,,,NFMVYTPKEZAHLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.565,279-845-4,81892-72-0,"4,4'-[1,3-propanediylbis(oxy)]bisbenzene-1,3-diamine","4,4'-[propane-1,3-diylbis(oxy)]dibenzene-1,3-diamine",Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1,Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1,"InChI=1/C15H20N4O2/c16-10-2-4-14(12(18)8-10)20-6-1-7-21-15-5-3-11(17)9-13(15)19/h2-5,8-9H,1,6-7,16-19H2",C15H20N4O2,,,,,,MWKPYVXITDAZLL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.569,279-850-1,81921-73-5,"Diethyl sulphate, compound with N-methyl-N-[4-[(1-methyl-1H-1,2,4-triazol-3-yl)azo]phenyl]benzylamine (1:1)","diethyl sulfate - N-benzyl-N-methyl-4-[(1-methyl-1H-1,2,4-triazol-3-yl)diazenyl]aniline (1:1)",Cn3cnc(N=Nc1ccc(cc1)N(C)Cc2ccccc2)n3.O=S(=O)(OCC)OCC,Cn3cnc(N=Nc1ccc(cc1)N(C)Cc2ccccc2)n3.O=S(=O)(OCC)OCC,"InChI=1/C17H18N6.C4H10O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)19-20-17-18-13-23(2)21-17;1-3-7-9(5,6)8-4-2/h3-11,13H,12H2,1-2H3;3-4H2,1-2H3",C17H18N6.C2H6O4S,,,,,,IKYIKQKJGUBSSV-UHFFFAOYSA-N,,,,,,,,,,,
100.062.256,268-502-4,68109-93-3,"2,7-dibromo-3,6-dihydroxypyrene-1,8-dione","2,7-dibromo-3,6-dihydroxypyrene-1,8-dione",OC1=C(Br)C(=O)c2ccc3C(=O)C(=C(O)c4ccc1c2c34)Br,OC1=C(Br)C(=O)c2ccc3C(=O)C(=C(O)c4ccc1c2c34)Br,"InChI=1/C16H6Br2O4/c17-11-13(19)5-1-2-6-10-8(16(22)12(18)14(6)20)4-3-7(9(5)10)15(11)21/h1-4,19-20H",C16H6Br2O4,,,,,,FMHCQTBSAUMCHY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.264,268-511-3,68110-21-4,"Hydrogen trichlorozincate(1-), compound with N,N-diethyl-4-[(1-methyl-1H-1,2,4-triazol-5-yl)azo]aniline (1:1)","hydrogen trichlorozincate(1-) - N,N-diethyl-4-[(1-methyl-1H-1,2,4-triazol-5-yl)diazenyl]aniline (1:1)",[H+].Cn2ncnc2N=Nc1ccc(cc1)N(CC)CC.Cl[Zn-](Cl)Cl,[H+].Cn2ncnc2N=Nc1ccc(cc1)N(CC)CC.Cl[Zn-](Cl)Cl,"InChI=1/C13H18N6.3ClH.Zn.H2/c1-4-19(5-2)12-8-6-11(7-9-12)16-17-13-14-10-15-18(13)3;;;;;/h6-10H,4-5H2,1-3H3;3*1H;;1H/q;;;;+2;+1/p-3/rC13H18N6.Cl3Zn.H2/c1-4-19(5-2)12-8-6-11(7-9-12)16-17-13-14-10-15-18(13)3;1-4(2)3;/h6-10H,4-5H2,1-3H3;;1H/q;-1;+1",C13H18N6.Cl3Zn.H,,,,,,ZHNBWIBPUFDSEB-UHFFFAOYSA-L,,,,,,,,,,,
100.062.268,268-516-0,68110-27-0,"1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt","trisodium 4-{[4-({3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzene-1,3-disulfonate",[Na+].[Na+].[Na+].O=C5/C(=C(/C)\\C(\\N=Nc4cc(Nc3nc(Nc2ccc(c(Nc1nc(N)nc(Cl)n1)c2)S([O-])(=O)=O)nc(Cl)n3)c(cc4S([O-])(=O)=O)S([O-])(=O)=O)=C(\\O)N5CC)C(N)=O,[Na+].[Na+].[Na+].O=C5/C(=C(/C)\C(\N=Nc4cc(Nc3nc(Nc2ccc(c(Nc1nc(N)nc(Cl)n1)c2)S([O-])(=O)=O)nc(Cl)n3)c(cc4S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N5CC)C(N)=O,"InChI=1/C27H24Cl2N14O12S3.3Na/c1-3-43-20(45)17(19(30)44)9(2)18(21(43)46)42-41-13-7-12(15(57(50,51)52)8-16(13)58(53,54)55)34-27-38-23(29)37-25(40-27)32-10-4-5-14(56(47,48)49)11(6-10)33-26-36-22(28)35-24(31)39-26;;;/h4-8,46H,3H2,1-2H3,(H2,30,44)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,31,33,35,36,39)(H2,32,34,37,38,40);;;/q;3*+1/p-3",C27H24Cl2N14O12S3.3Na,,,,,,YGMMRWWPNJTWOC-UHFFFAOYSA-K,,,,,,,,,,,
100.075.303,282-859-3,84434-59-3,"4-[[4-chloro-6-[[8-hydroxy-3,6-disulpho-7-[(1-sulpho-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]benzoic acid","4-{[4-chloro-6-({8-hydroxy-3,6-disulfo-7-[(1-sulfo-2-naphthyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}benzoic acid",Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Nc5ccc(cc5)C(O)=O)n6,Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Nc5ccc(cc5)C(O)=O)n6,"InChI=1/C30H20ClN7O12S3/c31-28-34-29(32-17-8-5-15(6-9-17)27(40)41)36-30(35-28)33-21-13-18(51(42,43)44)11-16-12-22(52(45,46)47)24(25(39)23(16)21)38-37-20-10-7-14-3-1-2-4-19(14)26(20)53(48,49)50/h1-13,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36)",C30H20ClN7O12S3,,,,,,KWTFBQRJPMYKJM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.306,282-863-5,84434-62-8,"8-amino-2,6-dimethyloct-6-en-2-ol","8-amino-2,6-dimethyloct-6-en-2-ol",NCC=C(C)CCCC(C)(C)O,NCC=C(C)CCCC(C)(C)O,"InChI=1/C10H21NO/c1-9(6-8-11)5-4-7-10(2,3)12/h6,12H,4-5,7-8,11H2,1-3H3",C10H21NO,,,,,,RJZZKFVNBRIPQD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.312,282-869-8,84434-68-4,(3-chloro-2-hydroxypropyl)(2-hydroxyethyl)dimethylammonium chloride,"3-chloro-2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(CCO)CC(O)CCl,[Cl-].C[N+](C)(CCO)CC(O)CCl,"InChI=1/C7H17ClNO2.ClH/c1-9(2,3-4-10)6-7(11)5-8;/h7,10-11H,3-6H2,1-2H3;1H/q+1;/p-1",C7H17ClNO2.Cl,,,,,,WSEBKJRVPMLGFV-UHFFFAOYSA-M,,,,,,,,,,,
100.075.318,282-876-6,84434-76-4,Methyl N-[3-[bis(2-chloroethyl)amino]-N-[N2-[N2-[3-[bis(2-chloroethyl)amino]-3-phenyl-L-alanyl]-L-arginyl]-L-lysyl]-3-phenyl-L-alanyl]-L-histidinate tetrahydrochloride,methyl beta-[bis(2-chloroethyl)amino]-L-phenylalanyl-L-arginyl-L-lysyl-beta-[bis(2-chloroethyl)amino]-L-phenylalanyl-L-histidinate tetrahydrochloride,Cl.Cl.Cl.Cl.COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(N(CCCl)CCCl)c2ccccc2)C(N(CCCl)CCCl)c3ccccc3,Cl.Cl.Cl.Cl.COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(N(CCCl)CCCl)c2ccccc2)C(N(CCCl)CCCl)c3ccccc3,"InChI=1/C45H67Cl4N13O6.4ClH/c1-68-44(67)35(27-32-28-54-29-56-32)59-43(66)37(39(31-13-6-3-7-14-31)62(25-19-48)26-20-49)60-41(64)33(15-8-9-21-50)57-40(63)34(16-10-22-55-45(52)53)58-42(65)36(51)38(30-11-4-2-5-12-30)61(23-17-46)24-18-47;;;;/h2-7,11-14,28-29,33-39H,8-10,15-27,50-51H2,1H3,(H,54,56)(H,57,63)(H,58,65)(H,59,66)(H,60,64)(H4,52,53,55);4*1H",C45H67Cl4N13O6.4ClH,,,,,,WZMQAISEUROBGG-CCDFYQNOSA-N,,,,,,,,,,,
100.077.327,285-090-1,85029-64-7,"Methyl octadecadienoate, compound with succinic anhydride (1:1)","methyl octadeca-2,4-dienoate - dihydrofuran-2,5-dione (1:1)",O=C(C=CC=CCCCCCCCCCCCCC)OC.O=C1CCC(=O)O1,O=C(C=CC=CCCCCCCCCCCCCC)OC.O=C1CCC(=O)O1,"InChI=1/C19H34O2.C4H4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;5-3-1-2-4(6)7-3/h15-18H,3-14H2,1-2H3;1-2H2",C19H34O2.C4H2O3,,,,,,FCBQXQBFRFLMAV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.451,280-818-4,83783-84-0,2-furylmethyl 2-methylcrotonate,2-furylmethyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCc1occc1,C\C=C(/C)\C(=O)OCc1occc1,"InChI=1/C10H12O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h3-6H,7H2,1-2H3",C10H12O3,,,,,,WCLYKOBJVINYIY-FPYGCLRLSA-N,,,,,,,,,,,
100.073.452,280-820-5,83783-85-1,2-methylpentyl 2-methylcrotonate,2-methylpentyl 2-methylbut-2-enoate,CCCC(C)COC(=O)\\C(=C\\C)\\C,CCCC(C)COC(=O)\C(=C\C)\C,"InChI=1/C11H20O2/c1-5-7-9(3)8-13-11(12)10(4)6-2/h6,9H,5,7-8H2,1-4H3",C11H20O2,,,,,,SXXTZKDMFMLOCG-UXBLZVDNSA-N,,,,,,,,,,,
100.073.453,280-821-0,83783-86-2,3-methyl-2-butenyl 2-methylcrotonate,3-methylbut-2-en-1-yl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCC=C(C)C,C\C=C(/C)\C(=O)OCC=C(C)C,"InChI=1/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5-6H,7H2,1-4H3",C10H16O2,,,,,,WTDWXMWAIMIKSI-WEVVVXLNSA-N,,,,,,,,,,,
100.073.454,280-822-6,83783-87-3,3-methyl-3-butenyl 2-methylcrotonate,3-methylbut-3-en-1-yl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCCC(=C)C,C\C=C(/C)\C(=O)OCCC(=C)C,"InChI=1/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5H,2,6-7H2,1,3-4H3",C10H16O2,,,,,,LMPCYQLIAVCCCL-WEVVVXLNSA-N,,,,,,,,,,,
100.073.455,280-823-1,83783-88-4,2-methylpentyl 2-methylbutyrate,2-methylpentyl 2-methylbutanoate,CCCC(C)COC(=O)C(C)CC,CCCC(C)COC(=O)C(C)CC,"InChI=1/C11H22O2/c1-5-7-9(3)8-13-11(12)10(4)6-2/h9-10H,5-8H2,1-4H3",C11H22O2,,,,,,RVVHHUUVQYONCR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.459,280-827-3,83783-92-0,"2-Naphthalenesulfonic acid, 7-[[[[6-[(4-ethoxy-3-sulfophenyl)azo]-5-hydroxy-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-4-hydroxy-3-[(6-sulfo-2-naphthalenyl)azo]-, sodium salt, compd. with 2,2'-(methylimino)bis[ethanol]","sodium 7-[({6-[(4-ethoxy-3-sulfophenyl)diazenyl]-5-hydroxy-7-sulfo-2-naphthyl}carbamoyl)amino]-4-hydroxy-3-[(6-sulfo-2-naphthyl)diazenyl]naphthalene-2-sulfonate 2,2'-(methylimino)diethanol (1:1)",[Na+].CCOc1ccc(cc1S(O)(=O)=O)N=Nc7c(cc6cc(NC(=O)Nc4cc5cc(c(N=Nc2cc3ccc(cc3cc2)S(O)(=O)=O)c(O)c5cc4)S([O-])(=O)=O)ccc6c7O)S(O)(=O)=O.OCCN(C)CCO,[Na+].CCOc1ccc(cc1S(O)(=O)=O)N=Nc7c(cc6cc(NC(=O)Nc4cc5cc(c(N=Nc2cc3ccc(cc3cc2)S(O)(=O)=O)c(O)c5cc4)S([O-])(=O)=O)ccc6c7O)S(O)(=O)=O.OCCN(C)CCO,"InChI=1/C39H30N6O16S4.C5H13NO2.Na/c1-2-61-31-12-8-27(19-32(31)63(52,53)54)43-45-36-34(65(58,59)60)18-23-15-25(7-11-30(23)38(36)47)41-39(48)40-24-6-10-29-22(14-24)17-33(64(55,56)57)35(37(29)46)44-42-26-5-3-21-16-28(62(49,50)51)9-4-20(21)13-26;1-6(2-4-7)3-5-8;/h3-19,46-47H,2H2,1H3,(H2,40,41,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);7-8H,2-5H2,1H3;/q;;+1/p-1",C39H30N6O16S4.xC5H13NO2.xNa,,,,,,MTEKPQWNBCRVBB-UHFFFAOYSA-M,,,,,,,,,,,
100.073.473,280-843-0,83784-12-7,"Lithium 5-[(3,5-dichloro-2-hydroxyphenyl)azo]-4-[(ethoxycarbonyl)amino]-6-hydroxynaphthalene-2-sulphonate","lithium 5-[(3,5-dichloro-2-hydroxyphenyl)diazenyl]-4-[(ethoxycarbonyl)amino]-6-hydroxynaphthalene-2-sulfonate",[Li+].Oc3c(N=Nc1c2c(NC(=O)OCC)cc(cc2ccc1O)S([O-])(=O)=O)cc(Cl)cc3Cl,[Li+].Oc3c(N=Nc1c2c(NC(=O)OCC)cc(cc2ccc1O)S([O-])(=O)=O)cc(Cl)cc3Cl,"InChI=1/C19H15Cl2N3O7S.Li/c1-2-31-19(27)22-13-8-11(32(28,29)30)5-9-3-4-15(25)17(16(9)13)24-23-14-7-10(20)6-12(21)18(14)26;/h3-8,25-26H,2H2,1H3,(H,22,27)(H,28,29,30);/q;+1/p-1",C19H15Cl2N3O7S.Li,,,,,,JLEXOACASIEREG-UHFFFAOYSA-M,,,,,,,,,,,
100.063.237,269-581-8,68298-76-0,2-[[[[5-[[[2-[ethyl[(nonafluorobutyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(5-{[(2-{ethyl[(nonafluorobutyl)sulfonyl]amino}ethoxy)carbonyl]amino}-2-methylphenyl)carbamoyl]oxy}propyl methacrylate,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C24H28F9N3O8S/c1-6-36(45(40,41)24(32,33)22(27,28)21(25,26)23(29,30)31)9-10-42-19(38)34-16-8-7-14(4)17(11-16)35-20(39)44-15(5)12-43-18(37)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,34,38)(H,35,39)",C24H28F9N3O8S,,,,,,ZNHAMOMCVOBRLM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.238,269-582-3,68298-85-1,"7'-ethyl-6'-methylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium] iodide","7'-ethyl-6'-methylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzothiazol[7]ium] iodide",[I-].CC[n+]1c(C)sc2cc3OC4(CCCCC4)Oc3cc12,[I-].CC[n+]1c(C)sc2cc3OC4(CCCCC4)Oc3cc12,"InChI=1/C16H20NO2S.HI/c1-3-17-11(2)20-15-10-14-13(9-12(15)17)18-16(19-14)7-5-4-6-8-16;/h9-10H,3-8H2,1-2H3;1H/q+1;/p-1",C16H20NO2S.I,,,,,,MRJARZUMSMBYPC-UHFFFAOYSA-M,,,,,,,,,,,
100.063.256,269-603-6,68299-21-8,Sodium [[[(tridecafluorohexyl)sulphonyl]amino]methyl]benzenesulphonate,sodium 2-({[(tridecafluorohexyl)sulfonyl]amino}methyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccccc1CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]S(=O)(=O)c1ccccc1CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H8F13NO5S2.Na/c14-8(15,10(18,19)12(22,23)24)9(16,17)11(20,21)13(25,26)34(31,32)27-5-6-3-1-2-4-7(6)33(28,29)30;/h1-4,27H,5H2,(H,28,29,30);/q;+1/p-1",C13H8F13NO5S2.Na,,,,,,CBPJEOWQPIKXNL-UHFFFAOYSA-M,,,,,,,,,,,
100.063.259,269-606-2,68299-25-2,1-ethylmethylpyridinium ethyl sulphate,1-propylpyridinium ethyl sulfate,CCC[n+]1ccccc1.CCOS(=O)(=O)[O-],CCC[n+]1ccccc1.CCOS(=O)(=O)[O-],"InChI=1/C8H12N.C2H6O4S/c1-2-6-9-7-4-3-5-8-9;1-2-6-7(3,4)5/h3-5,7-8H,2,6H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C8H12N.C2H5O4S,,,,,,XQXVYZBUCWELOV-UHFFFAOYSA-M,,,,,,,,,,,
100.075.832,283-443-4,84642-66-0,3-phenylbutyl isobutyrate,3-phenylbutyl 2-methylpropanoate,CC(C)C(=O)OCCC(C)c1ccccc1,CC(C)C(=O)OCCC(C)c1ccccc1,"InChI=1/C14H20O2/c1-11(2)14(15)16-10-9-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3",C14H20O2,,,,,,KHLORCDQQNVRAB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.834,283-446-0,84642-68-2,"(octahydro-4,7-methano-1H-inden-5-yl)methyl isobutyrate","octahydro-1H-4,7-methanoinden-5-ylmethyl 2-methylpropanoate",CC(C)C(=O)OCC1CC2CC1C3CCCC23,CC(C)C(=O)OCC1CC2CC1C3CCCC23,"InChI=1/C15H24O2/c1-9(2)15(16)17-8-11-6-10-7-14(11)13-5-3-4-12(10)13/h9-14H,3-8H2,1-2H3",C15H24O2,,,,,,XUTGZCOUWNUKQS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.375,285-143-9,85030-18-8,2-amino-4-(methylsulphonyl)-5-nitrophenol,2-amino-4-(methylsulfonyl)-5-nitrophenol,CS(=O)(=O)c1cc(N)c(O)cc1[N+](=O)[O-],CS(=O)(=O)c1cc(N)c(O)cc1[N+](=O)[O-],"InChI=1/C7H8N2O5S/c1-15(13,14)7-2-4(8)6(10)3-5(7)9(11)12/h2-3,10H,8H2,1H3",C7H8N2O5S,,,,,,FXPKBSNHMBDDQW-UHFFFAOYSA-N,,,,,,,,,,,
100.076.746,284-451-0,84878-57-9,Dicyclohexylhexylphosphine,dicyclohexyl(hexyl)phosphine,CCCCCCP(C1CCCCC1)C2CCCCC2,CCCCCCP(C1CCCCC1)C2CCCCC2,"InChI=1/C18H35P/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18H,2-16H2,1H3",C18H35P,,,,,,MESBJEBWWDYMSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.748,284-453-1,84878-59-1,Dicyclohexyldodecylphosphine,dicyclohexyl(dodecyl)phosphine,CCCCCCCCCCCCP(C1CCCCC1)C2CCCCC2,CCCCCCCCCCCCP(C1CCCCC1)C2CCCCC2,"InChI=1/C24H47P/c1-2-3-4-5-6-7-8-9-10-17-22-25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h23-24H,2-22H2,1H3",C24H47P,,,,,,FBJIDSKLLCXYAV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.507,279-781-7,81531-67-1,"9-hydroxy-1,2,5-trimethyl-6H-pyrido[4,3-b]carbazolium acetate","9-hydroxy-1,2,5-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate",CC(=O)[O-].Cc1c2cc[n+](C)c(C)c2cc3c4cc(O)ccc4[nH]c13,CC(=O)[O-].Cc1c2cc[n+](C)c(C)c2cc3c4cc(O)ccc4[nH]c13,"InChI=1/C18H16N2O.C2H4O2/c1-10-13-6-7-20(3)11(2)14(13)9-16-15-8-12(21)4-5-17(15)19-18(10)16;1-2(3)4/h4-9,21H,1-3H3;1H3,(H,3,4)",C18H17N2O.C2H3O2,,,,,,KJMQVQZANJEECI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.513,279-788-5,81628-41-3,Ammonium pentadecyl sulphate,ammonium pentadecyl sulfate,[NH4+].CCCCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C15H32O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;/h2-15H2,1H3,(H,16,17,18);1H3",C15H32O4S.H3N,,,,,,VBYZRNAGPMDLCX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.514,279-789-0,81634-99-3,(Z)-3-decenyl acetate,dec-3-en-1-yl acetate,CCCCCC\\C=C/CCOC(=O)C,CCCCCC\C=C/CCOC(=O)C,"InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h8-9H,3-7,10-11H2,1-2H3",C12H22O2,,,,,,HYSSAOQHKOCKIC-HJWRWDBZSA-N,,,,,,,,,,,
100.072.531,279-808-2,81741-28-8,Tributyltetradecylphosphonium chloride,tributyl(tetradecyl)phosphonium chloride,[Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,[Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,"InChI=1/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;/p-1",C26H56P.Cl,,,,,,AKUNSPZHHSNFFX-UHFFFAOYSA-M,,,,,,,,,,,
100.070.595,277-677-6,74038-74-7,m-fluoro-2'-(m-fluorobenzoyl)benzohydrazide,3-fluoro-N'-(3-fluorobenzoyl)benzohydrazide,Fc1cccc(c1)C(=O)NNC(=O)c2cccc(F)c2,Fc1cccc(c1)C(=O)NNC(=O)c2cccc(F)c2,"InChI=1/C14H10F2N2O2/c15-11-5-1-3-9(7-11)13(19)17-18-14(20)10-4-2-6-12(16)8-10/h1-8H,(H,17,19)(H,18,20)",C14H10F2N2O2,,,,,,DJCSGSALPRONGK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.705,279-999-2,82575-52-8,p-hydroxycinnamonitrile,3-(4-hydroxyphenyl)acrylonitrile,Oc1ccc(\\C=C\\C#N)cc1,Oc1ccc(\C=C\C#N)cc1,"InChI=1/C9H7NO/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,11H",C9H7NO,,,,,,RZROIDXECXAOTO-OWOJBTEDSA-N,,,,,,,,,,,
100.072.706,280-000-7,82586-66-1,Ethyl 2-[(dimethylamino)methyl]thiazole-4-carboxylate,"ethyl 2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxylate",CCOC(=O)c1csc(CN(C)C)n1,CCOC(=O)c1csc(CN(C)C)n1,"InChI=1/C9H14N2O2S/c1-4-13-9(12)7-6-14-8(10-7)5-11(2)3/h6H,4-5H2,1-3H3",C9H14N2O2S,,,,,,WLZZKIFUEGPCKY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.723,280-019-0,82758-42-7,"o-anisyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","2-methoxybenzyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",COc1ccccc1COS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23,COc1ccccc1COS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23,"InChI=1/C18H14N2O5S/c1-24-16-7-3-2-5-12(16)11-25-26(22,23)17-8-4-6-14-13(17)9-10-15(20-19)18(14)21/h2-10H,11H2,1H3",C17H12N2O5S,,,,,,ZNOQINLUYAYVAI-UHFFFAOYSA-N,,,,,,,,,,,
100.046.648,251-328-8,33001-06-8,2'-deoxyuridine 3'-benzoate,3'-O-benzoyl-2'-deoxyuridine,OC[C@H]1O[C@H](C[C@@H]1OC(=O)c2ccccc2)N3C=CC(=O)NC3=O,OC[C@H]1O[C@H](C[C@@H]1OC(=O)c2ccccc2)N3C=CC(=O)NC3=O,"InChI=1/C16H16N2O6/c19-9-12-11(24-15(21)10-4-2-1-3-5-10)8-14(23-12)18-7-6-13(20)17-16(18)22/h1-7,11-12,14,19H,8-9H2,(H,17,20,22)",C16H16N2O6,,,,,,BAVPJAHZOFCPIE-OUCADQQQSA-N,,,,,,,,,,,
100.046.651,251-331-4,33006-61-0,5-[3-ethyl-5-[(1-ethylquinolin-2(1H)-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{3-ethyl-5-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-4,4'-dioxo-2'-thioxo-2,5'-bi-1,3-thiazolidin-3'-yl}acetic acid",OC(=O)CN4C(=S)SC(=C3SC(=CC=C2/C=C\\c1ccccc1N2CC)C(=O)N3CC)C4=O,OC(=O)CN4C(=S)SC(=C3SC(=CC=C2/C=C\c1ccccc1N2CC)C(=O)N3CC)C4=O,"InChI=1/C23H21N3O4S3/c1-3-24-15(10-9-14-7-5-6-8-16(14)24)11-12-17-20(29)25(4-2)22(32-17)19-21(30)26(13-18(27)28)23(31)33-19/h5-12H,3-4,13H2,1-2H3,(H,27,28)",C23H21N3O4S3,,,,,,VHIKFXFCFRHFNM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.653,251-334-0,33006-91-6,"4-(5-chloro-2-pyridylazo)benzene-1,3-diamine","4-[(5-chloropyridin-2-yl)diazenyl]benzene-1,3-diamine",Nc2ccc(N=Nc1ccc(Cl)cn1)c(N)c2,Nc2ccc(N=Nc1ccc(Cl)cn1)c(N)c2,"InChI=1/C11H10ClN5/c12-7-1-4-11(15-6-7)17-16-10-3-2-8(13)5-9(10)14/h1-6H,13-14H2",C11H10ClN5,,,,,,WLNTVTDTBKPTCA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.661,251-342-4,33010-91-2,"Fumaric acid, copper salt",copper(1+) 3-carboxyacrylate,[Cu+].OC(=O)\\C=C\\C(=O)[O-],[Cu+].OC(=O)\C=C\C(=O)[O-],"InChI=1/C4H4O4.Cu/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1",C4H4O4.xCu,,,,,,UZNUURAFJLABEQ-TYYBGVCCSA-M,,,,,,,,,,,
100.046.670,251-352-9,33034-09-2,1-amino-4-hydroxy-2-[[1-(hydroxymethyl)-3-cyclohexen-1-yl]methoxy]anthraquinone,"1-amino-4-hydroxy-2-{[1-(hydroxymethyl)cyclohex-3-en-1-yl]methoxy}-9,10-anthraquinone",Nc1c(OCC2(CO)CCC=CC2)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(OCC2(CO)CCC=CC2)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H21NO5/c23-19-16(28-12-22(11-24)8-4-1-5-9-22)10-15(25)17-18(19)21(27)14-7-3-2-6-13(14)20(17)26/h1-4,6-7,10,24-25H,5,8-9,11-12,23H2",C22H21NO5,,,,,,ZPOLNEJTJYBGAR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.672,251-355-5,33036-62-3,4-bromobutan-1-ol,4-bromobutan-1-ol,OCCCCBr,OCCCCBr,"InChI=1/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2",C4H9BrO,,,,,,SIJLYRDVTMMSIP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.675,251-358-1,33045-52-2,Methyl 5-sulphamoyl-o-anisate,methyl 2-methoxy-5-sulfamoylbenzoate,COC(=O)c1cc(ccc1OC)S(=O)(=O)N,COC(=O)c1cc(ccc1OC)S(=O)(=O)N,"InChI=1/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)",C9H11NO5S,,,,,,MKDYDRQLKPGNNU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.678,251-361-8,33046-81-0,7-methyloct-3-en-2-one,7-methyloct-3-en-2-one,CC(=O)C=CCCC(C)C,CC(=O)C=CCCC(C)C,"InChI=1/C9H16O/c1-8(2)6-4-5-7-9(3)10/h5,7-8H,4,6H2,1-3H3",C9H16O,,,,,,QFSMRIFNMXHJQK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.679,251-362-3,33049-88-6,9-allyl-2-chlorothioxanthen-9-ol,9-allyl-2-chloro-9H-thioxanthen-9-ol,OC1(CC=C)c2ccccc2Sc3ccc(Cl)cc13,OC1(CC=C)c2ccccc2Sc3ccc(Cl)cc13,"InChI=1/C16H13ClOS/c1-2-9-16(18)12-5-3-4-6-14(12)19-15-8-7-11(17)10-13(15)16/h2-8,10,18H,1,9H2",C16H13ClOS,,,,,,TVKIVQFMOWEWHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.681,251-364-4,33067-78-6,Sodium [3-(5-chloro-2-methoxyphenyl)-1-methyl-2-triazeno]acetate,sodium [3-(5-chloro-2-methoxyphenyl)-1-methyltriaz-2-en-1-yl]acetate,COc1ccc(Cl)cc1N=NN(C)CC(=O)O[Na],COc1ccc(Cl)cc1N=NN(C)CC(=O)O[Na],"InChI=1/C10H12ClN3O3.Na/c1-14(6-10(15)16)13-12-8-5-7(11)3-4-9(8)17-2;/h3-5H,6H2,1-2H3,(H,15,16);/q;+1/p-1",C10H12ClN3O3.Na,,,,,,ZVWOMTCDGVHASH-UHFFFAOYSA-M,,,,,,,,,,,
100.046.682,251-366-5,33068-18-7,"D-Mannose, 6-(dihydrogen phosphate), disodium salt",disodium 6-O-phosphonatohexopyranose,OC1OC(COP(=O)(O[Na])O[Na])C(O)C(O)C1O,OC1OC(COP(=O)(O[Na])O[Na])C(O)C(O)C1O,"InChI=1/C6H13O9P.2Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/rC6H11Na2O9P/c7-16-18(13,17-8)14-1-2-3(9)4(10)5(11)6(12)15-2/h2-6,9-12H,1H2",C6H13O9P.2Na,,,,,,CHIBNKGHYAQTQY-UHFFFAOYSA-L,,,,,,,,,,,
100.062.270,268-518-1,68110-29-2,"2,2'-[[4-[(3,5-dinitro-2-thienyl)azo]-3-methylphenyl]imino]bisethyl diacetate","({4-[(3,5-dinitro-2-thienyl)diazenyl]-3-methylphenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1sc(cc1[N+]([O-])=O)[N+]([O-])=O)c(C)c2,CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1sc(cc1[N+]([O-])=O)[N+]([O-])=O)c(C)c2,"InChI=1/C19H21N5O8S/c1-12-10-15(22(6-8-31-13(2)25)7-9-32-14(3)26)4-5-16(12)20-21-19-17(23(27)28)11-18(33-19)24(29)30/h4-5,10-11H,6-9H2,1-3H3",C19H21N5O8S,,,,,,MSZSVSAHVAQWOK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.283,268-532-8,68123-02-4,Dioctadecyl phenyl phosphite,dioctadecyl phenyl phosphite,CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)Oc1ccccc1,CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)Oc1ccccc1,"InChI=1/C42H79O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43-46(45-42-38-34-33-35-39-42)44-41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3",C42H79O3P,,,,,,GWJARLHIIQGVLR-UHFFFAOYSA-N,,,,,,,,,,,
100.062.284,268-533-3,68123-03-5,Cobalt(2+) 4-aminobenzoate (1:2),cobalt(2+) bis(4-aminobenzoate),[Co+2].Nc1ccc(cc1)C(=O)[O-].Nc2ccc(cc2)C(=O)[O-],[Co+2].Nc1ccc(cc1)C(=O)[O-].Nc2ccc(cc2)C(=O)[O-],"InChI=1/2C7H7NO2.Co/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,8H2,(H,9,10);/q;;+2/p-2",C7H7NO2.1/2Co,,,,,,FQOKARXJRRGQDN-UHFFFAOYSA-L,,,,,,,,,,,
100.063.336,269-691-6,68310-03-2,"4'-[[4'-(6,11-dihydro-6,11-dioxoanthra[2,1-d]oxazol-2-yl)[1,1'-biphenyl]-4-yl]azo]-N-(9,10-dihydro-9,10-dioxo-2-anthryl)[1,1'-biphenyl]-4-carboxamide","N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)-4'-{[4'-(6,11-dioxo-6,11-dihydroanthra[2,1-d][1,3]oxazol-2-yl)biphenyl-4-yl]diazenyl}biphenyl-4-carboxamide",O=C2c1cc(ccc1C(=O)c3ccccc23)NC(=O)c4ccc(cc4)c5ccc(cc5)N=Nc6ccc(cc6)c7ccc(cc7)c%10nc%11ccc9c(C(=O)c8ccccc8C9=O)c%11o%10,O=C2c1cc(ccc1C(=O)c3ccccc23)NC(=O)c4ccc(cc4)c5ccc(cc5)N=Nc6ccc(cc6)c7ccc(cc7)c%10nc%11ccc9c(C(=O)c8ccccc8C9=O)c%11o%10,"InChI=1/C54H30N4O6/c59-48-39-5-1-2-6-40(39)50(61)45-29-38(25-26-43(45)48)55-53(63)34-13-9-30(10-14-34)32-17-21-36(22-18-32)57-58-37-23-19-33(20-24-37)31-11-15-35(16-12-31)54-56-46-28-27-44-47(52(46)64-54)51(62)42-8-4-3-7-41(42)49(44)60/h1-29H,(H,55,63)",C54H30N4O6,,,,,,FMRNNSYWICBJSS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.345,269-701-9,68310-12-3,Nonatriacontafluoroicosanoic acid,nonatriacontafluoroicosanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20HF39O2/c21-2(22,1(60)61)3(23,24)4(25,26)5(27,28)6(29,30)7(31,32)8(33,34)9(35,36)10(37,38)11(39,40)12(41,42)13(43,44)14(45,46)15(47,48)16(49,50)17(51,52)18(53,54)19(55,56)20(57,58)59/h(H,60,61)",C20HF39O2,,,,,,VLLYHFSAJNIONB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.583,279-865-3,81977-68-6,Ethyl [(4-methoxyphenyl)methylene]-carbamate,ethyl (4-methoxybenzylidene)carbamate,COc1ccc(C=NC(=O)OCC)cc1,COc1ccc(C=NC(=O)OCC)cc1,"InChI=1/C11H13NO3/c1-3-15-11(13)12-8-9-4-6-10(14-2)7-5-9/h4-8H,3H2,1-2H3",C11H13NO3,,,,,,CDBOLBWUDUAOPR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.595,279-878-4,82010-84-2,"2,2'-[(2-methylbutane-1,4-diyl)bis(thio)]bisethanol","2,2'-[(2-methylbutane-1,4-diyl)disulfanediyl]diethanol",CC(CCSCCO)CSCCO,CC(CCSCCO)CSCCO,"InChI=1/C9H20O2S2/c1-9(8-13-7-4-11)2-5-12-6-3-10/h9-11H,2-8H2,1H3",C9H20O2S2,,,,,,HZYDXMRRWHMPAF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.596,279-880-5,82010-85-3,2-(5-hexenylthio)ethanol,2-(hex-5-en-1-ylsulfanyl)ethanol,OCCSCCCCC=C,OCCSCCCCC=C,"InChI=1/C8H16OS/c1-2-3-4-5-7-10-8-6-9/h2,9H,1,3-8H2",C8H16OS,,,,,,QLRYIIWLWDKURG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.598,279-882-6,82010-87-5,2-(3-butenylthio)ethanol,2-(but-3-en-1-ylsulfanyl)ethanol,OCCSCCC=C,OCCSCCC=C,"InChI=1/C6H12OS/c1-2-3-5-8-6-4-7/h2,7H,1,3-6H2",C6H12OS,,,,,,RMBYRNBOWWTERV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.604,279-888-9,82010-93-3,2-[(2-methylbut-2-enyl)thio]ethanol,2-[(2-methylbut-2-en-1-yl)sulfanyl]ethanol,CC(=CC)CSCCO,CC(=CC)CSCCO,"InChI=1/C7H14OS/c1-3-7(2)6-9-5-4-8/h3,8H,4-6H2,1-2H3",C7H14OS,,,,,,MNHIQPXQJJSRRG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.609,279-894-1,82049-48-7,"S-[4-(acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ethanethioate","S-(4-acetamido-5-methyl-4H-1,2,4-triazol-3-yl) ethanethioate",CC(=O)Nn1c(C)nnc1SC(=O)C,CC(=O)Nn1c(C)nnc1SC(=O)C,"InChI=1/C7H10N4O2S/c1-4-8-9-7(14-6(3)13)11(4)10-5(2)12/h1-3H3,(H,10,12)",C7H10N4O2S,,,,,,PYDSMPVYGIXTGX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.617,279-902-3,82124-01-4,"1,3,5-triazine-2,4,6-triamine oxalate","1,3,5-triazine-2,4,6-triamine oxalate",Nc1nc(N)nc(N)n1.OC(=O)C(=O)O,Nc1nc(N)nc(N)n1.OC(=O)C(=O)O,"InChI=1/C3H6N6.C2H2O4/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6)",C3H6N6.xC2H2O4,,,,,,OWUDFCCCSKRXAN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.296,268-546-4,68123-29-5,"Carbonic acid, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)","carbonic acid - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)",NC(CO)(CO)CO.NC(CO)(CO)CO.OC(=O)O,NC(CO)(CO)CO.NC(CO)(CO)CO.OC(=O)O,"InChI=1/2C4H11NO3.CH2O3/c2*5-4(1-6,2-7)3-8;2-1(3)4/h2*6-8H,1-3,5H2;(H2,2,3,4)",C4H11NO3.1/2CH2O3,,,,,,GYQWVHROHDZXRS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.297,268-548-5,68123-30-8,"2,3-dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one","9-hydroxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one",Oc1c2OCCc2cc3C=CC(=O)Oc13,Oc1c2OCCc2cc3C=CC(=O)Oc13,"InChI=1/C11H8O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-2,5,13H,3-4H2",C11H8O4,,,,,,GWDMSCZQYHAETO-UHFFFAOYSA-N,,,,,,,,,,,
100.073.479,280-849-3,83789-16-6,"2,6-dimethyl-4-(2-methylpropyl)-2H-1,2,6-thiadiazine-3,5(4H,6H)-dione 1,1-dioxide","4-isobutyl-2,6-dimethyl-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide",CC(C)CC1C(=O)N(C)S(=O)(=O)N(C)C1=O,CC(C)CC1C(=O)N(C)S(=O)(=O)N(C)C1=O,"InChI=1/C9H16N2O4S/c1-6(2)5-7-8(12)10(3)16(14,15)11(4)9(7)13/h6-7H,5H2,1-4H3",C9H16N2O4S,,,,,,ARZYMIPWIGSPQN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.483,280-854-0,83799-84-2,4-(1-pyrrolidinyl)benzaldehyde 2-naphthylphenylhydrazone,1-{4-[2-naphthyl(phenyl)carbonohydrazonoyl]phenyl}pyrrolidine,C1CCN(C1)c2ccc(\\C=N\\N(c3ccccc3)c4ccc5ccccc5c4)cc2,C1CCN(C1)c2ccc(\C=N\N(c3ccccc3)c4ccc5ccccc5c4)cc2,"InChI=1/C27H25N3/c1-2-10-26(11-3-1)30(27-17-14-23-8-4-5-9-24(23)20-27)28-21-22-12-15-25(16-13-22)29-18-6-7-19-29/h1-5,8-17,20-21H,6-7,18-19H2",C27H25N3,,,,,,SDESZVYHUNDIKP-SGWCAAJKSA-N,,,,,,,,,,,
100.073.484,280-855-6,83803-38-7,2-butoxyethyl a-phenylpiperidine-1-acetate hydrochloride,2-butoxyethyl phenyl(piperidin-1-yl)acetate hydrochloride,Cl.CCCCOCCOC(=O)C(N1CCCCC1)c2ccccc2,Cl.CCCCOCCOC(=O)C(N1CCCCC1)c2ccccc2,"InChI=1/C19H29NO3.ClH/c1-2-3-14-22-15-16-23-19(21)18(17-10-6-4-7-11-17)20-12-8-5-9-13-20;/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3;1H",C19H29NO3.ClH,,,,,,FFROUYUBPKIUKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.232,279-480-0,80467-77-2,1-[(4-aminophenyl)amino]propan-2-ol,1-[(4-aminophenyl)amino]propan-2-ol,CC(O)CNc1ccc(N)cc1,CC(O)CNc1ccc(N)cc1,"InChI=1/C9H14N2O/c1-7(12)6-11-9-4-2-8(10)3-5-9/h2-5,7,11-12H,6,10H2,1H3",C9H14N2O,,,,,,XYAQUYKPDDPZHG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.237,279-485-8,80484-34-0,"1,3-bis(1-methyl-2-pyrrolidinyl)acetone, compound with picric acid (1:2)","1,3-bis(1-methylpyrrolidin-2-yl)acetone - 2,4,6-trinitrophenol (1:2)",CN1CCCC1CC(=O)CC2CCCN2C.Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],CN1CCCC1CC(=O)CC2CCCN2C.Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C13H24N2O.2C6H3N3O7/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-12H,3-10H2,1-2H3;2*1-2,10H",C13H24N2O.2C6H3N3O7,,,,,,LBIDCMMPFWFNQI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.244,279-493-1,80548-27-2,"3-hydroxy-2,2-bis(hydroxymethyl)propyl methacrylate","3-hydroxy-2,2-bis(hydroxymethyl)propyl methacrylate",CC(=C)C(=O)OCC(CO)(CO)CO,CC(=C)C(=O)OCC(CO)(CO)CO,"InChI=1/C9H16O5/c1-7(2)8(13)14-6-9(3-10,4-11)5-12/h10-12H,1,3-6H2,2H3",C9H16O5,,,,,,APZPSKFMSWZPKL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.247,279-496-8,80573-11-1,"Trisodium 7-[[4-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]-5-methoxy-2-methylphenyl]azo]naphthalene-1,3,5-trisulphonate","trisodium 7-{[4-({4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl}diazenyl)-5-methoxy-2-methylphenyl]diazenyl}naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Clc5c(Nc4ccc(N=Nc3cc(C)c(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)cc4)nc(F)nc5F,[Na+].[Na+].[Na+].Clc5c(Nc4ccc(N=Nc3cc(C)c(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)cc4)nc(F)nc5F,"InChI=1/C28H20ClF2N7O10S3.3Na/c1-13-7-21(38-35-15-5-3-14(4-6-15)32-27-25(29)26(30)33-28(31)34-27)22(48-2)12-20(13)37-36-16-8-18-19(23(9-16)50(42,43)44)10-17(49(39,40)41)11-24(18)51(45,46)47;;;/h3-12H,1-2H3,(H,32,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C28H20ClF2N7O10S3.3Na,,,,,,IVGYQZLICVKXEQ-UHFFFAOYSA-K,,,,,,,,,,,
100.073.884,281-297-6,83918-62-1,2-[(dimethoxymethylsilyl)oxy]benzoic acid,2-{[(dimethoxymethyl)silyl]oxy}benzoic acid,COC(OC)[SiH2]Oc1ccccc1C(=O)O,COC(OC)[SiH2]Oc1ccccc1C(=O)O,"InChI=1/C10H14O5Si/c1-13-10(14-2)16-15-8-6-4-3-5-7(8)9(11)12/h3-6,10H,16H2,1-2H3,(H,11,12)",C10H14O5Si,,,,,,IBFOUUJSMMDWDR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.889,281-302-1,83918-67-6,"1,3-dimethyl-1,1,3,3-tetrakis(2-phenylethoxy)disiloxane","1,3-dimethyl-1,1,3,3-tetrakis(2-phenylethoxy)disiloxane",C[Si](OCCc1ccccc1)(OCCc2ccccc2)O[Si](C)(OCCc3ccccc3)OCCc4ccccc4,C[Si](OCCc1ccccc1)(OCCc2ccccc2)O[Si](C)(OCCc3ccccc3)OCCc4ccccc4,"InChI=1/C34H42O5Si2/c1-40(35-27-23-31-15-7-3-8-16-31,36-28-24-32-17-9-4-10-18-32)39-41(2,37-29-25-33-19-11-5-12-20-33)38-30-26-34-21-13-6-14-22-34/h3-22H,23-30H2,1-2H3",C34H42O5Si2,,,,,,BSRHMMTVYOCSGA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.894,281-307-9,83918-72-3,Potassium [(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino](4-hydroxyphenyl)acetate,potassium [(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino](4-hydroxyphenyl)acetate,[K+].Oc1ccc(cc1)C(NC(C)=CC(=O)OCC)C([O-])=O,[K+].Oc1ccc(cc1)C(NC(C)=CC(=O)OCC)C([O-])=O,"InChI=1/C14H17NO5.K/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-8,13,15-16H,3H2,1-2H3,(H,18,19);/q;+1/p-1",C14H17NO5.K,,,,,,KCIVNTJLAYJMEK-UHFFFAOYSA-M,,,,,,,,,,,
100.073.895,281-308-4,83918-73-4,1-benzhydrylpiperazinium acetate,1-(diphenylmethyl)piperazin-1-ium acetate,CC(=O)[O-].C1C[NH+](CCN1)C(c2ccccc2)c3ccccc3,CC(=O)[O-].C1C[NH+](CCN1)C(c2ccccc2)c3ccccc3,"InChI=1/C17H20N2.C2H4O2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;1-2(3)4/h1-10,17-18H,11-14H2;1H3,(H,3,4)",C17H20N2.C2H4O2,,,,,,JSZJPSGMTDIWMN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.597,277-679-7,74050-97-8,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidyl decanoate,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl decanoate,CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,"InChI=1/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3",C31H41ClFNO3,,,,,,GUTXTARXLVFHDK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.600,277-682-3,74051-80-2,2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one,2-(N-ethoxybutanimidoyl)-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one,CCCC(=NOCC)C\\1=C(/O)CC(CC(C)SCC)CC/1=O,CCCC(=NOCC)C\1=C(/O)CC(CC(C)SCC)CC/1=O,"InChI=1/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3",C17H29NO3S,,,,,,CSPPKDPQLUUTND-UHFFFAOYSA-N,,,,,,,,,,,
100.070.620,277-705-7,74070-70-5,Dibenzyldimethylammonium methyl sulphate,"N-benzyl-N,N-dimethylphenylmethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(Cc1ccccc1)Cc2ccccc2,COS(=O)(=O)[O-].C[N+](C)(Cc1ccccc1)Cc2ccccc2,"InChI=1/C16H20N.CH4O4S/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;1-5-6(2,3)4/h3-12H,13-14H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C16H20N.CH3O4S,,,,,,BLHUAXIDWCQEPL-UHFFFAOYSA-M,,,,,,,,,,,
100.077.389,285-159-6,85030-34-8,"1,1'-[(butylimino)bis(2-hydroxypropane-1,3-diyl)]bis[4-[2-[4-(diethylamino)phenyl]vinyl]pyridinium] dichloride","1,1'-[(butylimino)bis(2-hydroxypropane-3,1-diyl)]bis(4-{2-[4-(diethylamino)phenyl]vinyl}pyridinium) dichloride",[Cl-].[Cl-].CCCCN(CC(O)C[n+]1ccc(\\C=C\\c2ccc(cc2)N(CC)CC)cc1)CC(O)C[n+]3ccc(\\C=C\\c4ccc(cc4)N(CC)CC)cc3,[Cl-].[Cl-].CCCCN(CC(O)C[n+]1ccc(\C=C\c2ccc(cc2)N(CC)CC)cc1)CC(O)C[n+]3ccc(\C=C\c4ccc(cc4)N(CC)CC)cc3,"InChI=1/C44H61N5O2.2ClH/c1-6-11-28-47(35-43(50)33-45-29-24-39(25-30-45)14-12-37-16-20-41(21-17-37)48(7-2)8-3)36-44(51)34-46-31-26-40(27-32-46)15-13-38-18-22-42(23-19-38)49(9-4)10-5;;/h12-27,29-32,43-44,50-51H,6-11,28,33-36H2,1-5H3;2*1H/q+2;;/p-2",C44H61N5O2.2Cl,,,,,,KZAVLDGHMCLTTM-UHFFFAOYSA-L,,,,,,,,,,,
100.077.392,285-162-2,85030-38-2,4-[(4-amino-2-chlorophenyl)azo]naphthalen-1-amine,4-[(4-amino-2-chlorophenyl)diazenyl]naphthalen-1-amine,Clc3cc(N)ccc3N=Nc2ccc(N)c1ccccc12,Clc3cc(N)ccc3N=Nc2ccc(N)c1ccccc12,"InChI=1/C16H13ClN4/c17-13-9-10(18)5-7-16(13)21-20-15-8-6-14(19)11-3-1-2-4-12(11)15/h1-9H,18-19H2",C16H13ClN4,,,,,,RSOCDNOXQMQKJV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.406,285-177-4,85030-52-0,"2-(2,2-dimethoxyethyl)-4-methyl-1,3-dioxolane","2-(2,2-dimethoxyethyl)-4-methyl-1,3-dioxolane",COC(CC1OCC(C)O1)OC,COC(CC1OCC(C)O1)OC,"InChI=1/C8H16O4/c1-6-5-11-8(12-6)4-7(9-2)10-3/h6-8H,4-5H2,1-3H3",C8H16O4,,,,,,ZSTBDLRRJVNBQV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.417,285-190-5,85030-63-3,"4,4'-bis[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis({1-[(4-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-2,2'-disulfonic acid",COc4ccc(NC(=O)C(N=Nc3ccc(c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)C(C)=O)cc4,COc4ccc(NC(=O)C(N=Nc3ccc(c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)C(C)=O)cc4,"InChI=1/C34H32N6O12S2/c1-19(41)31(33(43)35-21-5-11-25(51-3)12-6-21)39-37-23-9-15-27(29(17-23)53(45,46)47)28-16-10-24(18-30(28)54(48,49)50)38-40-32(20(2)42)34(44)36-22-7-13-26(52-4)14-8-22/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50)",C34H32N6O12S2,,,,,,DTIDJRWEGPNPAI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.533,279-810-3,81760-57-8,"3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propan-1-one","3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propan-1-one",CCCCN(CCCC)CCC(=O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,CCCCN(CCCC)CCC(=O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C26H28Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16H,3-6,9-12H2,1-2H3",C26H28Cl2F3NO,,,,,,WPDNKUOFRLJSGF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.535,279-812-4,81761-20-8,N-(2-ethyl-6-methylphenyl)-3-oxobutyramide,N-(2-ethyl-6-methylphenyl)-3-oxobutanamide,CCc1cccc(C)c1NC(=O)CC(=O)C,CCc1cccc(C)c1NC(=O)CC(=O)C,"InChI=1/C13H17NO2/c1-4-11-7-5-6-9(2)13(11)14-12(16)8-10(3)15/h5-7H,4,8H2,1-3H3,(H,14,16)",C13H17NO2,,,,,,TXIFNAIHABCDSX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.542,279-820-8,81786-71-2,"2-(2,2-dimethylbutyl)-2,3-dimethyloxirane","2-(2,2-dimethylbutyl)-2,3-dimethyloxirane",CCC(C)(C)CC1(C)OC1C,CCC(C)(C)CC1(C)OC1C,"InChI=1/C10H20O/c1-6-9(3,4)7-10(5)8(2)11-10/h8H,6-7H2,1-5H3",C10H20O,,,,,,NAXYTJIPVBENDF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.545,279-823-4,81786-74-5,"(E)-3,4,5,6,6-pentamethylhept-3-en-2-one","3,4,5,6,6-pentamethylhept-3-en-2-one",CC(\\C(=C(/C)\\C(=O)C)\\C)C(C)(C)C,CC(\C(=C(/C)\C(=O)C)\C)C(C)(C)C,"InChI=1/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3",C12H22O,,,,,,IXIYWQIFBRZMNR-CMDGGOBGSA-N,,,,,,,,,,,
100.072.554,279-833-9,81818-54-4,"2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone","2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1,4-naphthoquinone",CC(C)CCCC(C)CCCC(C)CCCC(C)=CC\\C2=C(/C)C(=O)c1ccccc1C2=O,CC(C)CCCC(C)CCCC(C)CCCC(C)=CC\C2=C(/C)C(=O)c1ccccc1C2=O,"InChI=1/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3",C31H46O2,,,,,,MBWXNTAXLNYFJB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.255,268-501-9,68109-90-0,Methyl 4-heptylbenzoate,methyl 4-heptylbenzoate,CCCCCCCc1ccc(cc1)C(=O)OC,CCCCCCCc1ccc(cc1)C(=O)OC,"InChI=1/C15H22O2/c1-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17-2/h9-12H,3-8H2,1-2H3",C15H22O2,,,,,,VSXNZWYZIJDUSW-UHFFFAOYSA-N,,,,,,,,,,,
100.046.683,251-367-0,33073-01-7,"3,9-dihydro-1,9-dimethyl-1H-purine-2,6-dione","1,9-dimethyl-3,9-dihydro-1H-purine-2,6-dione",CN1C(=O)Nc2c(ncn2C)C1=O,CN1C(=O)Nc2c(ncn2C)C1=O,"InChI=1/C7H8N4O2/c1-10-3-8-4-5(10)9-7(13)11(2)6(4)12/h3H,1-2H3,(H,9,13)",C7H8N4O2,,,,,,XKZALMBJTMJPFU-UHFFFAOYSA-N,,,,,,,,,,,
100.046.684,251-368-6,33077-70-2,p-hydroxyphenyl 2-pyridyl ketone,(4-hydroxyphenyl)(pyridin-2-yl)methanone,Oc1ccc(cc1)C(=O)c2ccccn2,Oc1ccc(cc1)C(=O)c2ccccn2,"InChI=1/C12H9NO2/c14-10-6-4-9(5-7-10)12(15)11-3-1-2-8-13-11/h1-8,14H",C12H9NO2,,,,,,ADNZLHSXIAPURS-UHFFFAOYSA-N,,,,,,,,,,,
100.046.688,251-372-8,33086-27-0,Benzylthiouracil,"1-(benzylsulfanyl)pyrimidine-2,4(1H,3H)-dione",O=C1NC(=O)N(SCc2ccccc2)C=C1,O=C1NC(=O)N(SCc2ccccc2)C=C1,"InChI=1/C11H10N2O2S/c14-10-6-7-13(11(15)12-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14,15)",C11H10N2OS,,,,,,HZSRNRSRBNKJRN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.447,277-514-9,73511-89-4,"5-cyano-2,4,6-triiodoisophthalic acid","5-cyano-2,4,6-triiodoisophthalic acid",OC(=O)c1c(I)c(C#N)c(I)c(C(=O)O)c1I,OC(=O)c1c(I)c(C#N)c(I)c(C(=O)O)c1I,"InChI=1/C9H2I3NO4/c10-5-2(1-13)6(11)4(9(16)17)7(12)3(5)8(14)15/h(H,14,15)(H,16,17)",C9H2I3NO4,,,,,,DAMMTPUDAGMEIL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.456,277-524-3,73517-30-3,"4,5,6,7-tetrachloro-3,3-bis[4-(dimethylamino)phenyl]phthalide","4,5,6,7-tetrachloro-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one",CN(C)c1ccc(cc1)C2(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)c4ccc(cc4)N(C)C,CN(C)c1ccc(cc1)C2(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c23)c4ccc(cc4)N(C)C,"InChI=1/C24H20Cl4N2O2/c1-29(2)15-9-5-13(6-10-15)24(14-7-11-16(12-8-14)30(3)4)18-17(23(31)32-24)19(25)21(27)22(28)20(18)26/h5-12H,1-4H3",C24H20Cl4N2O2,,,,,,PWDAUHQMJRBUHP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.976,259-393-4,54914-37-3,"1,3,3-trimethyl-N-(2-methylpropylidene)-5-[(2-methylpropylidene)amino]cyclohexanemethylamine","3,3,5-trimethyl-N-(2-methylpropylidene)-5-{[(2-methylpropylidene)amino]methyl}cyclohexanamine",CC(C)C=NCC1(C)CC(CC(C)(C)C1)N=CC(C)C,CC(C)C=NCC1(C)CC(CC(C)(C)C1)N=CC(C)C,"InChI=1/C18H34N2/c1-14(2)10-19-13-18(7)9-16(20-11-15(3)4)8-17(5,6)12-18/h10-11,14-16H,8-9,12-13H2,1-7H3",C18H34N2,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6335,https://echa.europa.eu/substance-information/-/substanceinfo/100.053.976,JAQIHZHFSKQFEI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.977,259-395-5,54914-38-4,"N,N-bis(2-hydroxypropyl)dodecanamide","N,N-bis(2-hydroxypropyl)dodecanamide",CCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O,CCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O,"InChI=1/C18H37NO3/c1-4-5-6-7-8-9-10-11-12-13-18(22)19(14-16(2)20)15-17(3)21/h16-17,20-21H,4-15H2,1-3H3",C18H37NO3,,,,,,ITQLLPIWYFCLTO-UHFFFAOYSA-N,,,,,,,,,,,
100.053.989,259-407-9,54950-05-9,"Sodium 1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) sulphonatosuccinate","sodium 1,4-dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonate",[Na+].[O-]S(=O)(=O)C(CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]S(=O)(=O)C(CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H12F26O7S.Na/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)1-3-52-7(47)5-6(54(49,50)51)8(48)53-4-2-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46;/h6H,1-5H2,(H,49,50,51);/q;+1/p-1",C20H12F26O7S.Na,,,,,,ZYSXJSUKIXPQGO-UHFFFAOYSA-M,,,,,,,,,,,
100.053.991,259-410-5,54951-59-6,3-(phenylmethylene)octan-2-one,3-benzylideneoctan-2-one,CC(=O)C(CCCCC)=Cc1ccccc1,CC(=O)C(CCCCC)=Cc1ccccc1,"InChI=1/C15H20O/c1-3-4-6-11-15(13(2)16)12-14-9-7-5-8-10-14/h5,7-10,12H,3-4,6,11H2,1-2H3",C15H20O,,,,,,AEKMJNFNQGGLDT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.993,259-412-6,54962-75-3,3-bromo-5-(trifluoromethyl)aniline,3-bromo-5-(trifluoromethyl)aniline,Nc1cc(Br)cc(c1)C(F)(F)F,Nc1cc(Br)cc(c1)C(F)(F)F,"InChI=1/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2",C7H5BrF3N,,,,,,HJTLKVYOWNTDPF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.995,259-414-7,54965-21-8,Albendazole,methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate,CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1,CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1,"InChI=1/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",C12H15N3O2S,,,,,,HXHWSAZORRCQMX-UHFFFAOYSA-N,Positive/Negative,AU105801|AU105804|AU105805;SM853502;EQ358001|EQ358002|EQ358003|EQ358004|EQ358005|EQ358006|EQ358007|EQ358008|EQ358009,[M+H]+;[M+H]+;[M+H]+,CID20.4-30.6|CID40|CID50;HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,234.0709:266.0973:191.0156|191.0147:192.0217:159.0423|191.0145:159.042:163.0192;234.0694:266.0957:191.0146;266.0958:234.0697|234.0696:266.0958:191.0139|234.0696:192.0226:191.0148|234.0697:191.0149:192.0226|191.0148:159.0428:192.0226|191.0148:159.0428:163.0199|159.0428:131.0479:136.0091|104.037:77.026:92.037|77.026:92.037:76.0182,Athens_Univ;CASMI_2016;Eawag,SM853555;EQ358051|EQ358052|EQ358053|EQ358054|EQ358055|EQ358056|EQ358057|EQ358058|EQ358059,[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,232.0551:188.9999;232.0554:264.0817:221.0268|232.0553:189.0006:221.0268|189.0005:232.0553:221.0268|189.0005:161.0056:159.9977|189.0005:161.0056:159.9977|189.0006:159.9978:57.9758|57.9758:159.9978:81.9758|57.9758:81.9758:159.9977|57.9758:81.9758:65.0146,CASMI_2016;Eawag
100.053.996,259-415-2,54965-24-1,"(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate","2-[4-(1,2-diphenylbut-1-en-1-yl)phenoxy]-N,N-dimethylethanaminium dihydrogen citrate",CC\\C(=C(/c1ccccc1)\\c2ccc(OCC[NH+](C)C)cc2)\\c3ccccc3.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC\C(=C(/c1ccccc1)\c2ccc(OCC[NH+](C)C)cc2)\c3ccccc3.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C26H29NO.C6H8O7,,,,,,FQZYTYWMLGAPFJ-OQKDUQJOSA-L,,,,,,,,,,,
100.053.997,259-416-8,54970-72-8,"Sodium 3,5-dichloro-2-hydroxybenzenesulphonate","sodium 3,5-dichloro-2-hydroxybenzenesulfonate",[Na+].Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-],[Na+].Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-],"InChI=1/C6H4Cl2O4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,(H,10,11,12);/q;+1/p-1",C6H4Cl2O4S.Na,,,,,,NMWCVZCSJHJYFW-UHFFFAOYSA-M,,,,,,,,,,,
100.062.300,268-551-1,68123-33-1,Succinimido (4-nitrophenyl)acetate,"1-[2-(4-nitrophenyl)acetoxy]pyrrolidine-2,5-dione",[O-][N+](=O)c1ccc(CC(=O)ON2C(=O)CCC2=O)cc1,[O-][N+](=O)c1ccc(CC(=O)ON2C(=O)CCC2=O)cc1,"InChI=1/C12H10N2O6/c15-10-5-6-11(16)13(10)20-12(17)7-8-1-3-9(4-2-8)14(18)19/h1-4H,5-7H2",C12H10N2O6,,,,,,JUEAHIVORWVODA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.307,268-559-5,68123-42-2,3-(2-carboxyethyl)-2-methylbenzoxazolium bromide,"3-(2-carboxyethyl)-2-methyl-1,3-benzoxazol-3-ium bromide",[Br-].Cc1oc2ccccc2[n+]1CCC(=O)O,[Br-].Cc1oc2ccccc2[n+]1CCC(=O)O,"InChI=1/C11H11NO3.BrH/c1-8-12(7-6-11(13)14)9-4-2-3-5-10(9)15-8;/h2-5H,6-7H2,1H3;1H",C11H12NO3.Br,,,,,,QAAXLMKLZPOHMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.356,269-713-4,68310-47-4,"[[4-[(4-aminophenyl)[4-(phenylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonic acid","2-({4-[(4-aminophenyl)(4-anilinophenyl)methylene]cyclohexa-2,5-dien-1-ylidene}amino)benzenesulfonic acid",OS(=O)(=O)c5ccccc5N=C/1\\C=C/C(C=C\\1)=C(/c3ccc(Nc2ccccc2)cc3)c4ccc(N)cc4,OS(=O)(=O)c5ccccc5N=C/1\C=C/C(C=C\1)=C(/c3ccc(Nc2ccccc2)cc3)c4ccc(N)cc4,"InChI=1/C31H25N3O3S/c32-25-16-10-22(11-17-25)31(23-12-18-27(19-13-23)33-26-6-2-1-3-7-26)24-14-20-28(21-15-24)34-29-8-4-5-9-30(29)38(35,36)37/h1-21,33H,32H2,(H,35,36,37)",C31H25N3O3S,,,,,,AUBMTRZINYIPSH-FMWGRLTGSA-N,,,,,,,,,,,
100.063.361,269-719-7,68310-60-1,"2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl formate","2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl formate",CC1(C)C2CC=C(CCOC=O)C1C2,CC1(C)C2CC=C(CCOC=O)C1C2,"InChI=1/C12H18O2/c1-12(2)10-4-3-9(11(12)7-10)5-6-14-8-13/h3,8,10-11H,4-7H2,1-2H3",C12H18O2,,,,,,AUZXOWYWPAMYTN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.372,269-731-2,68310-74-7,3-(decyloxy)propylammonium acetate,3-(decyloxy)propan-1-aminium acetate,CCCCCCCCCCOCCC[NH3+].CC(=O)[O-],CCCCCCCCCCOCCC[NH3+].CC(=O)[O-],"InChI=1/C13H29NO.C2H4O2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14;1-2(3)4/h2-14H2,1H3;1H3,(H,3,4)",C13H29NO.C2H4O2,,,,,,MQXJONYFWRNZIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.250,275-098-3,70994-17-1,10-amino-4-decenoic acid,10-aminodec-4-enoic acid,OC(=O)CCC=CCCCCCN,OC(=O)CCC=CCCCCCN,"InChI=1/C10H19NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h2,4H,1,3,5-9,11H2,(H,12,13)",C10H19NO2,,,,,,OLESZPAIEMMCPW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.491,285-271-5,85049-97-4,"Dodecanedioic acid, compound with 2,2',2''-nitrilotriethanol","dodecanedioic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)CCCCCCCCCCC(=O)O,OCCN(CCO)CCO.OC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C12H22O4.C6H15NO3/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;8-4-1-7(2-5-9)3-6-10/h1-10H2,(H,13,14)(H,15,16);8-10H,1-6H2",C12H22O4.xC6H15NO3,,,,,,YFEYEKFYYORKFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.621,279-907-0,82142-14-1,"3,7-bis(diethylamino)phenoxazin-5-ium thiocyanate","3,7-bis(diethylamino)phenoxazin-5-ium thiocyanate",CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[S-]C#N,CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[S-]C#N,"InChI=1/C20H26N3O.CHNS/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1-3/h9-14H,5-8H2,1-4H3;3H/q+1;/p-1",C20H26N3O.CNS,,,,,,XHIPTIKBRSBIFI-UHFFFAOYSA-M,,,,,,,,,,,
100.072.624,279-910-7,82168-34-1,2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl 2-(4-chlorobenzoyl)benzoate,2-[2-(acryloyloxy)ethoxy]ethyl 2-(4-chlorobenzoyl)benzoate,Clc1ccc(cc1)C(=O)c2ccccc2C(=O)OCCOCCOC(=O)C=C,Clc1ccc(cc1)C(=O)c2ccccc2C(=O)OCCOCCOC(=O)C=C,"InChI=1/C21H19ClO6/c1-2-19(23)27-13-11-26-12-14-28-21(25)18-6-4-3-5-17(18)20(24)15-7-9-16(22)10-8-15/h2-10H,1,11-14H2",C21H19ClO6,,,,,,KBWZQMFOIHPJGO-UHFFFAOYSA-N,,,,,,,,,,,
100.074.253,281-704-7,84012-63-5,"3,7-dimethylocta-1,4,6-trien-3-ol","3,7-dimethylocta-1,4,6-trien-3-ol",CC(O)(C=C)C=C\\C=C(\\C)C,CC(O)(C=C)C=C\C=C(\C)C,"InChI=1/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-8,11H,1H2,2-4H3",C10H16O,,,,,,RARYKHDLXILLFY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.258,281-709-4,84015-55-4,2-hydroxy-3-(phosphonooxy)propyl laurate,2-hydroxy-3-(phosphonooxy)propyl laurate,CCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O,CCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O,"InChI=1/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)",C15H31O7P,,,,,,STTKJLVEXMKLNA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.272,281-725-1,84029-54-9,"Tetratriacontafluoro-10,13,16,19-tetraoxaoctacosadiene","1,1,2,3,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,14,14,15,15,17,17,18,18,20,20,21,21,22,22,23-tetratriacontafluoro-10,13,16,19-tetraoxaoctacosa-1,3-diene",F/C(F)=C(/F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)CCCCC,F/C(F)=C(/F)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)CCCCC,"InChI=1/C24H12F34O4/c1-2-3-4-5-6(25)11(31,32)14(37,38)17(43,44)59-19(47,48)21(51,52)61-23(55,56)24(57,58)62-22(53,54)20(49,50)60-18(45,46)16(41,42)15(39,40)13(35,36)12(33,34)9(28)7(26)8(27)10(29)30/h6H,2-5H2,1H3",C24H12F34O4,,,,,,HFBWKQAPVODCQP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.335,268-589-9,68130-43-8,"Sulfuric acid, mono-C8-18-alkyl esters, sodium salts",sodium tridecyl sulfate,[Na+].CCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C13H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1",-,,,,,,HQCFDOOSGDZRII-UHFFFAOYSA-M,,,,,,,,,,,
100.073.896,281-310-5,83918-74-5,"Methyl 4-[3-[[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]benzylamino]-2-hydroxypropoxy]phenylacetate","methyl [4-(3-{benzyl[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]amino}-2-hydroxypropoxy)phenyl]acetate",COC(=O)Cc1ccc(OCC(O)CN(CCCN2C(=O)Nc3ccccc23)Cc4ccccc4)cc1,COC(=O)Cc1ccc(OCC(O)CN(CCCN2C(=O)Nc3ccccc23)Cc4ccccc4)cc1,"InChI=1/C29H33N3O5/c1-36-28(34)18-22-12-14-25(15-13-22)37-21-24(33)20-31(19-23-8-3-2-4-9-23)16-7-17-32-27-11-6-5-10-26(27)30-29(32)35/h2-6,8-15,24,33H,7,16-21H2,1H3,(H,30,35)",C29H33N3O5,,,,,,NWMKNCIEMYYFLY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.337,282-897-0,84455-35-6,"4-(benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",C/C4=N/N(c1ccccc1)C(=O)C4N=Nc2nc3ccccc3s2,C/C4=N/N(c1ccccc1)C(=O)C4N=Nc2nc3ccccc3s2,"InChI=1/C17H13N5OS/c1-11-15(16(23)22(21-11)12-7-3-2-4-8-12)19-20-17-18-13-9-5-6-10-14(13)24-17/h2-10,15H,1H3",C17H13N5OS,,,,,,ALTDCLQPJJVVPW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.340,282-900-5,84455-38-9,2-acetamido-6-(phenylthio)benzoic acid,2-acetamido-6-(phenylsulfanyl)benzoic acid,CC(=O)Nc1cccc(Sc2ccccc2)c1C(=O)O,CC(=O)Nc1cccc(Sc2ccccc2)c1C(=O)O,"InChI=1/C15H13NO3S/c1-10(17)16-12-8-5-9-13(14(12)15(18)19)20-11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17)(H,18,19)",C15H13NO3S,,,,,,VOKXGVHRVUGNCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.348,282-908-9,84471-25-0,"Undec-10-enoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","undec-10-enoic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)CCCCCCCCC=C,OCCN(CCO)CCO.OC(=O)CCCCCCCCC=C,"InChI=1/C11H20O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h2H,1,3-10H2,(H,12,13);8-10H,1-6H2",C11H20O2.C6H15NO3,,,,,,VFMQMKVIAHCZKP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.354,282-915-7,84473-61-0,"2,5-dibromopyridinium hydrogen sulphate","2,5-dibromopyridinium hydrogen sulfate",[O-]S(=O)(=O)[O-].Brc1ccc(Br)[nH+]c1,[O-]S(=O)(=O)[O-].Brc1ccc(Br)[nH+]c1,"InChI=1/C5H3Br2N.H2O4S/c6-4-1-2-5(7)8-3-4;1-5(2,3)4/h1-3H;(H2,1,2,3,4)/p-1",C5H3Br2N.H2O4S,,,,,,PMDWTZRVNYASGQ-UHFFFAOYSA-M,,,,,,,,,,,
100.075.357,282-918-3,84473-64-3,Pyrazinecarbonyl chloride monohydrochloride,pyrazine-2-carbonyl chloride hydrochloride,Cl.ClC(=O)c1cnccn1,Cl.ClC(=O)c1cnccn1,InChI=1/C5H3ClN2O.ClH/c6-5(9)4-3-7-1-2-8-4;/h1-3H;1H,C5H3ClN2O.ClH,,,,,,ZOFWDSYSIJNFMU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.363,282-925-1,84473-70-1,Tris(2-hydroxypropyl)ammonium palmitate,"2-hydroxy-N,N-bis(2-hydroxypropyl)propan-1-aminium palmitate",CCCCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH+](CC(C)O)CC(C)O,CCCCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH+](CC(C)O)CC(C)O,"InChI=1/C16H32O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-15H2,1H3,(H,17,18);7-9,11-13H,4-6H2,1-3H3",C16H32O2.C9H21NO3,,,,,,GXYBLEMGMSZXGR-UHFFFAOYSA-N,,,,,,,,,,,
100.077.343,285-108-8,85029-83-0,"5-[(2-ethoxy-2-oxoethoxy)carbonyl]-1,3,3-trimethyl-2-[2-[5-nitro-1-[2-oxo-2-(2-oxopropoxy)ethyl]-2-phenyl-1H-indol-3-yl]vinyl]-3H-indolium iodide","5-[(2-ethoxy-2-oxoethoxy)carbonyl]-1,3,3-trimethyl-2-(2-{5-nitro-1-[2-oxo-2-(2-oxopropoxy)ethyl]-2-phenyl-1H-indol-3-yl}vinyl)-3H-indolium iodide",[I-].CCOC(=O)COC(=O)c1ccc2c(c1)C(C)(C)C(=[N+]2C)\\C=C\\c3c(c4ccccc4)n(CC(=O)OCC(=O)C)c5ccc(cc35)[N+](=O)[O-],[I-].CCOC(=O)COC(=O)c1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(CC(=O)OCC(=O)C)c5ccc(cc35)[N+](=O)[O-],"InChI=1/C37H36N3O9.HI/c1-6-47-34(43)22-49-36(44)25-12-15-31-29(18-25)37(3,4)32(38(31)5)17-14-27-28-19-26(40(45)46)13-16-30(28)39(20-33(42)48-21-23(2)41)35(27)24-10-8-7-9-11-24;/h7-19H,6,20-22H2,1-5H3;1H/q+1;/p-1",C37H36N3O9.I,,,,,,RBJZXYZTXWYEKD-UHFFFAOYSA-M,,,,,,,,,,,
100.077.351,285-117-7,85029-94-3,Bis[bis(2-hydroxyethyl)ammonium] glutarate,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] glutarate,OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCCC(=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCCC(=O)[O-],"InChI=1/C5H8O4.2C4H11NO2/c6-4(7)2-1-3-5(8)9;2*6-3-1-5-2-4-7/h1-3H2,(H,6,7)(H,8,9);2*5-7H,1-4H2",C5H8O4.2C4H11NO2,,,,,,AWWDAEGJAIEXNI-UHFFFAOYSA-N,,,,,,,,,,,
100.077.361,285-128-7,85030-04-2,"Suberic acid, compound with 2,2',2''-nitrilotriethanol (1:2)","octanedioic acid - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCC(=O)O,OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCC(=O)O,"InChI=1/C8H14O4.2C6H15NO3/c9-7(10)5-3-1-2-4-6-8(11)12;2*8-4-1-7(2-5-9)3-6-10/h1-6H2,(H,9,10)(H,11,12);2*8-10H,1-6H2",C8H14O4.2C6H15NO3,,,,,,FGQABOZGVBGOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.368,285-136-0,85030-11-1,"2-[[butyl(2-hydroxyethyl)amino]methyl]-1,2-benzisothiazol-3(2H)-one","2-{[butyl(2-hydroxyethyl)amino]methyl}-1,2-benzisothiazol-3(2H)-one",CCCCN(CCO)CN1Sc2ccccc2C1=O,CCCCN(CCO)CN1Sc2ccccc2C1=O,"InChI=1/C14H20N2O2S/c1-2-3-8-15(9-10-17)11-16-14(18)12-6-4-5-7-13(12)19-16/h4-7,17H,2-3,8-11H2,1H3",C14H20N2O2S,,,,,,BCPAKTYJFVPOQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.489,280-860-3,83803-43-4,Ethyl 2-[4-(fluorosulphonyl)phenyl]-4-hydroxyquinoline-5-carboxylate,ethyl 2-[4-(fluorosulfonyl)phenyl]-4-hydroxyquinoline-5-carboxylate,CCOC(=O)c1cccc2nc(cc(O)c12)c3ccc(cc3)S(=O)(=O)F,CCOC(=O)c1cccc2nc(cc(O)c12)c3ccc(cc3)S(=O)(=O)F,"InChI=1/C18H14FNO5S/c1-2-25-18(22)13-4-3-5-14-17(13)16(21)10-15(20-14)11-6-8-12(9-7-11)26(19,23)24/h3-10H,2H2,1H3,(H,20,21)",C18H14FNO5S,,,,,,KRLWRCQREPLMRM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.257,268-504-5,68109-94-4,[[3-[2-(dimethylamino)ethoxy]propyl]imino]bismethanol,({3-[2-(dimethylamino)ethoxy]propyl}imino)dimethanol,CN(C)CCOCCCN(CO)CO,CN(C)CCOCCCN(CO)CO,"InChI=1/C9H22N2O3/c1-10(2)5-7-14-6-3-4-11(8-12)9-13/h12-13H,3-9H2,1-2H3",C9H22N2O3,,,,,,JUBIAYKRGCULNU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.258,268-505-0,68109-96-6,[2-(elaidoylamino)ethyl]ethyl(2-hydroxyethyl)ammonium ethyl sulphate,N-ethyl-2-hydroxy-N-[2-(oleoylamino)ethyl]ethanaminium ethyl sulfate,CCCCCCCC\\C=C\\CCCCCCCC(=O)NCC[NH+](CC)CCO.CCOS(=O)(=O)[O-],CCCCCCCC\C=C\CCCCCCCC(=O)NCC[NH+](CC)CCO.CCOS(=O)(=O)[O-],"InChI=1/C24H48N2O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27;1-2-6-7(3,4)5/h11-12,27H,3-10,13-23H2,1-2H3,(H,25,28);2H2,1H3,(H,3,4,5)",C24H48N2O2.C2H6O4S,,,,,,XTKIHDZTSWEJCX-CALJPSDSSA-N,,,,,,,,,,,
100.062.261,268-508-7,68110-00-9,1-propylheptyl dihydrogen phosphate,1-propylheptyl dihydrogen phosphate,CCCCCCC(CCC)OP(=O)(O)O,CCCCCCC(CCC)OP(=O)(O)O,"InChI=1/C10H23O4P/c1-3-5-6-7-9-10(8-4-2)14-15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)",C10H23O4P,,,,,,VEUUGZQJNGFYBU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.263,268-510-8,68110-20-3,Hydroxylamine dihydrofluoride,hydroxylamine dihydrofluoride,F.F.NO,F.F.NO,"InChI=1/2FH.H3NO/c;;1-2/h2*1H;2H,1H2",FH.1/2H3NO,,,,,,JPKRMSILHOBWRO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.265,268-512-9,68110-24-7,"Disodium hydrogen 5-acetamido-4-hydroxy-3-[(m-phosphonatophenyl)azo]naphthalene-2,7-disulphonate",-,[H+].[Na+].[Na+].O=P([O-])([O-])c3cc(N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)ccc3,[H+].[Na+].[Na+].O=P([O-])([O-])c3cc(N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)ccc3,"InChI=1/C18H16N3O11PS2.2Na.H2/c1-9(22)19-14-8-13(34(27,28)29)5-10-6-15(35(30,31)32)17(18(23)16(10)14)21-20-11-3-2-4-12(7-11)33(24,25)26;;;/h2-8,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29)(H,30,31,32);;;1H/q;3*+1/p-4",C18H16N3O11PS2.2Na,,,,,,SLYUUEOAHFJYGP-UHFFFAOYSA-K,,,,,,,,,,,
100.062.285,268-534-9,68123-04-6,"N,N,N,N',N'-pentamethyl-N'-[3-(octyloxy)propyl]-N,N'-trimethylenediammonium dichloride","N,N,N,N',N'-pentamethyl-N'-[3-(octyloxy)propyl]propane-1,3-diaminium dichloride",[Cl-].[Cl-].CCCCCCCCOCCC[N+](C)(C)CCC[N+](C)(C)C,[Cl-].[Cl-].CCCCCCCCOCCC[N+](C)(C)CCC[N+](C)(C)C,"InChI=1/C19H44N2O.2ClH/c1-7-8-9-10-11-12-18-22-19-14-17-21(5,6)16-13-15-20(2,3)4;;/h7-19H2,1-6H3;2*1H/q+2;;/p-2",C19H44N2O.2Cl,,,,,,YIELTJJHCUBKPV-UHFFFAOYSA-L,,,,,,,,,,,
100.062.286,268-535-4,68123-05-7,3-(dodecyloxy)propylammonium acetate,3-(dodecyloxy)propan-1-aminium acetate,CCCCCCCCCCCCOCCC[NH3+].CC(=O)[O-],CCCCCCCCCCCCOCCC[NH3+].CC(=O)[O-],"InChI=1/C15H33NO.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16;1-2(3)4/h2-16H2,1H3;1H3,(H,3,4)",C15H33NO.C2H4O2,,,,,,HWNJCLSJXCSPFY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.290,268-540-1,68123-09-1,"N,N'-bis(1-methylheptylidene)benzene-1,4-diamine","N,N'-bis(1-methylheptylidene)benzene-1,4-diamine",CC(CCCCCC)=Nc1ccc(N=C(C)CCCCCC)cc1,CC(CCCCCC)=Nc1ccc(N=C(C)CCCCCC)cc1,"InChI=1/C22H36N2/c1-5-7-9-11-13-19(3)23-21-15-17-22(18-16-21)24-20(4)14-12-10-8-6-2/h15-18H,5-14H2,1-4H3",C22H36N2,,,,,,JWJHHWVHDVQCJL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.291,268-541-7,68123-10-4,"N-(3-methoxypropyl)propane-1,3-diamine","N-(3-methoxypropyl)propane-1,3-diamine",COCCCNCCCN,COCCCNCCCN,"InChI=1/C7H18N2O/c1-10-7-3-6-9-5-2-4-8/h9H,2-8H2,1H3",C7H18N2O,,,,,,LLRMJSJSADDGPK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.326,269-680-6,68309-92-2,Fluorocalcium(1+) tetrafluoroborate(1-),fluorocalcium(1+) tetrafluoroborate,F[Ca+].F[B-](F)(F)F,F[Ca+].F[B-](F)(F)F,"InChI=1/BF4.Ca.FH/c2-1(3,4)5;;/h;;1H/q-1;+2;/p-1",BF4.CaF,,,,,,VRRJCULFGGNBIK-UHFFFAOYSA-M,,,,,,,,,,,
100.063.334,269-689-5,68310-01-0,2-amino-5-nitrophenyl thiocyanate,2-amino-5-nitrophenyl thiocyanate,Nc1ccc(cc1SC#N)[N+](=O)[O-],Nc1ccc(cc1SC#N)[N+](=O)[O-],"InChI=1/C7H5N3O2S/c8-4-13-7-3-5(10(11)12)1-2-6(7)9/h1-3H,9H2",C7H5N3O2S,,,,,,WDFILKFJEJDOEV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.335,269-690-0,68310-02-1,"N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulphonamide","N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulfonamide",CCCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H14F15NO3S/c1-2-3-4-29(5-6-30)33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h30H,2-6H2,1H3",C13H14F15NO3S,,,,,,WIUXGCKDKOYUAL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.348,269-705-0,68310-25-8,N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]docosanamide,N-{2-[(2-cyanoethyl){2-[(2-cyanoethyl)amino]ethyl}amino]ethyl}docosanamide,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N,"InChI=1/C32H61N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32(38)36-28-31-37(29-22-25-34)30-27-35-26-21-24-33/h35H,2-23,26-31H2,1H3,(H,36,38)",C32H61N5O,,,,,,UUERCIFOWAZFFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.130,254-062-0,38656-51-8,"2,5-diethoxy-4-[(4-methylphenyl)thio]benzenediazonium tetrachlorozincate (2:1)","bis{2,5-diethoxy-4-[(4-methylphenyl)sulfanyl]benzenediazonium} tetrachlorozincate(2-)",CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2.CCOc3cc([N+]#N)c(OCC)cc3Sc4ccc(C)cc4.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2.CCOc3cc([N+]#N)c(OCC)cc3Sc4ccc(C)cc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C17H19N2O2S.4ClH.Zn/c2*1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;;;;;/h2*6-11H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H19N2O2S.Cl4Zn/c2*1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;1-5(2,3)4/h2*6-11H,4-5H2,1-3H3;/q2*+1;-2",C17H19N2O2S.1/2Cl4Zn,,,,,,KCIBXAZYWVZCHR-UHFFFAOYSA-J,,,,,,,,,,,
100.049.131,254-063-6,38656-58-5,"2,5-diethoxy-4-[(4-methylbenzoyl)amino]benzenediazonium tetrachlorozincate (2:1)","bis{2,5-diethoxy-4-[(4-methylbenzoyl)amino]benzenediazonium} tetrachlorozincate(2-)",CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c2ccc(C)cc2.CCOc3cc([N+]#N)c(OCC)cc3NC(=O)c4ccc(C)cc4.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c2ccc(C)cc2.CCOc3cc([N+]#N)c(OCC)cc3NC(=O)c4ccc(C)cc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C18H19N3O3.4ClH.Zn/c2*1-4-23-16-11-15(21-19)17(24-5-2)10-14(16)20-18(22)13-8-6-12(3)7-9-13;;;;;/h2*6-11H,4-5H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C18H19N3O3.Cl4Zn/c2*1-4-23-16-11-15(21-19)17(24-5-2)10-14(16)20-18(22)13-8-6-12(3)7-9-13;1-5(2,3)4/h2*6-11H,4-5H2,1-3H3;/q;;-2/p+2",C18H20N3O3.1/2Cl4Zn,,,,,,YOLXXRRKERAWPO-UHFFFAOYSA-L,,,,,,,,,,,
100.049.136,254-068-3,38660-45-6,"Potassium (9Z,12Z,15Z)-9,12,15-octadecatrienoate","potassium octadeca-9,12,15-trienoate",[K+].CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[K+].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H30O2.K,,,,,,FKEDIMSDTKPZNV-IFNWOZJISA-M,,,,,,,,,,,
100.072.736,280-033-7,82799-33-5,"3,7,11-tris(2-hydroxyethyl)-15-oxa-3,7,11-triazaheptacosane-1,13-diol hydrochloride","3,7,11-tris(2-hydroxyethyl)-15-oxa-3,7,11-triazaheptacosane-1,13-diol hydrochloride",Cl.CCCCCCCCCCCCOCC(O)CN(CCO)CCCN(CCO)CCCN(CCO)CCO,Cl.CCCCCCCCCCCCOCC(O)CN(CCO)CCCN(CCO)CCCN(CCO)CCO,"InChI=1/C29H63N3O6.ClH/c1-2-3-4-5-6-7-8-9-10-11-26-38-28-29(37)27-32(21-25-36)17-13-15-30(18-22-33)14-12-16-31(19-23-34)20-24-35;/h29,33-37H,2-28H2,1H3;1H",C29H63N3O6.ClH,,,,,,XQKBJAQHPXPUIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.738,280-035-8,82799-37-9,N-[2-[(2-hydroxyethyl)methylamino]ethyl]oleamide methyl sulphate,-,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCN(C)CCO.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCCN(C)CCO.COS(=O)(=O)[O-],"InChI=1/C23H46N2O2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)24-19-20-25(2)21-22-26;1-5-6(2,3)4/h10-11,26H,3-9,12-22H2,1-2H3,(H,24,27);1H3,(H,2,3,4)/p-1",C23H46N2O2.CH4O4S,,,,,,WCMQPYKVNGHYEQ-GMFCBQQYSA-M,,,,,,,,,,,
100.072.740,280-037-9,82799-40-4,2-[[2-(oleoylamino)ethyl]amino]ethyl oleate,2-{[2-(oleoylamino)ethyl]amino}ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C40H76N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)42-36-35-41-37-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41H,3-16,21-38H2,1-2H3,(H,42,43)",C40H76N2O3,,,,,,ILHHSNJWQFFKQW-CLFAGFIQSA-N,,,,,,,,,,,
100.072.743,280-041-0,82799-44-8,"2,4-diethyl-9H-thioxanthen-9-one","2,4-diethyl-9H-thioxanthen-9-one",CCc1cc(CC)c2Sc3ccccc3C(=O)c2c1,CCc1cc(CC)c2Sc3ccccc3C(=O)c2c1,"InChI=1/C17H16OS/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)19-17/h5-10H,3-4H2,1-2H3",C17H16OS,,,,,,BTJPUDCSZVCXFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.746,280-044-7,82799-47-1,"2-dodecyl-9H-thioxanthen-9-one 10,10-dioxide","2-dodecyl-9H-thioxanthen-9-one 10,10-dioxide",CCCCCCCCCCCCc1ccc2c(c1)C(=O)c3ccccc3S2(=O)=O,CCCCCCCCCCCCc1ccc2c(c1)C(=O)c3ccccc3S2(=O)=O,"InChI=1/C25H32O3S/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24-22(19-20)25(26)21-15-12-13-16-23(21)29(24,27)28/h12-13,15-19H,2-11,14H2,1H3",C25H32O3S,,,,,,UTAWAWPYOGOZRM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.747,280-045-2,82801-62-5,"Sebacic acid, compound with 2-aminoethanol",decanedioic acid - 2-aminoethanol (1:1),NCCO.OC(=O)CCCCCCCCC(=O)O,NCCO.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C2H7NO/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;3-1-2-4/h1-8H2,(H,11,12)(H,13,14);4H,1-3H2",C10H18O4.xC2H7NO,,,,,,ZMKRMBQUHAYUCL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.748,280-046-8,82807-83-8,Iron tris(2-ethylbutyrate),iron(3+) tris(2-ethylbutanoate),[Fe+3].CCC(CC)C([O-])=O.CCC(CC)C([O-])=O.CCC(CC)C([O-])=O,[Fe+3].CCC(CC)C([O-])=O.CCC(CC)C([O-])=O.CCC(CC)C([O-])=O,"InChI=1/3C6H12O2.Fe/c3*1-3-5(4-2)6(7)8;/h3*5H,3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3",C6H12O2.1/3Fe,,,,,,PLNMRWMBKXZPLJ-UHFFFAOYSA-K,,,,,,,,,,,
100.074.380,281-844-9,84041-64-5,"6-chloro-N-cyclopentyl-N'-methyl-1,3,5-triazine-2,4-diamine","6-chloro-N-cyclopentyl-N'-methyl-1,3,5-triazine-2,4-diamine",CNc1nc(Cl)nc(NC2CCCC2)n1,CNc1nc(Cl)nc(NC2CCCC2)n1,"InChI=1/C9H14ClN5/c1-11-8-13-7(10)14-9(15-8)12-6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,11,12,13,14,15)",C9H14ClN5,,,,,,DFAXRJSIQCUYIO-UHFFFAOYSA-N,,,,,,,,,,,
100.074.386,281-851-7,84041-70-3,1-[2-[(2-chlorophenyl)amino]ethyl]-4-methylpyridinium chloride,1-{2-[(2-chlorophenyl)amino]ethyl}-4-methylpyridinium chloride,[Cl-].Cc1cc[n+](CCNc2ccccc2Cl)cc1,[Cl-].Cc1cc[n+](CCNc2ccccc2Cl)cc1,"InChI=1/C14H16ClN2.ClH/c1-12-6-9-17(10-7-12)11-8-16-14-5-3-2-4-13(14)15;/h2-7,9-10,16H,8,11H2,1H3;1H/q+1;/p-1",C14H16ClN2.Cl,,,,,,GWSNDQXBCPDGBF-UHFFFAOYSA-M,,,,,,,,,,,
100.068.281,275-132-7,71026-66-9,tert-butyl (4-aminophenyl)carbamate,tert-butyl (4-aminophenyl)carbamate,CC(C)(C)OC(=O)Nc1ccc(N)cc1,CC(C)(C)OC(=O)Nc1ccc(N)cc1,"InChI=1/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)",C11H16N2O2,,,,,,WIVYTYZCVWHWSH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.283,275-134-8,71029-85-1,Sodium formate(1:4),sodium formate(1:4),[NaH].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O,[NaH].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O,"InChI=1/4CH2O2.Na.H/c4*2-1-3;;/h4*1H,(H,2,3);;/q;;;;+1;/p-4/r4CH2O2.HNa/c4*2-1-3;/h4*1H,(H,2,3);1H/q;;;;+1/p-4",CH2O2.1/4Na,,,,,,HBURAMFBSACPBI-UHFFFAOYSA-J,,,,,,,,,,,
100.068.288,275-140-0,71033-00-6,2-anilino-5-bromoterephthalic acid,2-anilino-5-bromoterephthalic acid,OC(=O)c1cc(Nc2ccccc2)c(cc1Br)C(=O)O,OC(=O)c1cc(Nc2ccccc2)c(cc1Br)C(=O)O,"InChI=1/C14H10BrNO4/c15-11-6-10(14(19)20)12(7-9(11)13(17)18)16-8-4-2-1-3-5-8/h1-7,16H,(H,17,18)(H,19,20)",C14H10BrNO4,,,,,,XEXVUFBWMIYKRM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.289,275-141-6,71033-01-7,"a-acetyl-4,6-dichloro-N-(2-methoxyphenyl)-1,3,5-triazin-2-acetamide","2-(4,6-dichloro-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)-3-oxobutanamide",COc1ccccc1NC(=O)C(C(=O)C)c2nc(Cl)nc(Cl)n2,COc1ccccc1NC(=O)C(C(=O)C)c2nc(Cl)nc(Cl)n2,"InChI=1/C14H12Cl2N4O3/c1-7(21)10(11-18-13(15)20-14(16)19-11)12(22)17-8-5-3-4-6-9(8)23-2/h3-6,10H,1-2H3,(H,17,22)",C14H12Cl2N4O3,,,,,,QFKHNOLBVWLNNR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.290,275-142-1,71033-05-1,"Tetrasodium 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","tetrasodium 5-{[4-chloro-6-({3-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}amino)-1,3,5-triazin-2-yl]amino}-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5cc(Nc4nc(Nc3cc(cc2cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4)ccc5S([O-])(=O)=O)nc(OC(C)C)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5cc(Nc4nc(Nc3cc(cc2cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4)ccc5S([O-])(=O)=O)nc(OC(C)C)n6,"InChI=1/C31H25Cl2N11O14S4.4Na/c1-13(2)58-31-40-27(33)39-30(42-31)35-18-11-15(7-8-21(18)61(52,53)54)34-28-37-26(32)38-29(41-28)36-19-12-16(59(46,47)48)9-14-10-22(62(55,56)57)24(25(45)23(14)19)44-43-17-5-3-4-6-20(17)60(49,50)51;;;;/h3-13,45H,1-2H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,35,39,40,42)(H2,34,36,37,38,41);;;;/q;4*+1/p-4",C31H25Cl2N11O14S4.4Na,,,,,,VGOGLQIGOHIOLO-UHFFFAOYSA-J,,,,,,,,,,,
100.068.292,275-144-2,71033-12-0,"[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium chloride","2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium chloride",[Cl-].Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O,[Cl-].Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O,"InChI=1/C19H24Cl2N5O2.ClH/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;/h6-9,12-13H,5,10-11H2,1-4H3;1H/q+1;/p-1",C19H24Cl2N5O2.Cl,,,,,,KAPMUXBQCAXXIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.077.496,285-276-2,85050-03-9,"3-ethyl-2-[2-[[5-methoxy-3-(4-sulphonatobutyl)benzoselenazol-2(3H)-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium","4-[2-{2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene}-5-methoxy-1,3-benzoselenazol-3(2H)-yl]butane-1-sulfonate",CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CCCCS([O-])(=O)=O)OC,CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CCCCS([O-])(=O)=O)OC,"InChI=1/C28H34N2O4S2Se/c1-6-21(16-27-29(7-2)23-14-19(3)20(4)15-25(23)35-27)17-28-30(12-8-9-13-36(31,32)33)24-18-22(34-5)10-11-26(24)37-28/h10-11,14-18H,6-9,12-13H2,1-5H3",C28H34N2O4S2Se,,,,,,OABSCUJOMPWODV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.497,285-277-8,85050-04-0,"5-[(difluoromethyl)sulphonyl]-2-[2-[1-(3-methoxy-3-oxopropyl)-2-phenyl-1H-indol-3-yl]vinyl]-1,3,3-trimethyl-3H-indolium iodide","5-[(difluoromethyl)sulfonyl]-2-{2-[1-(3-methoxy-3-oxopropyl)-2-phenyl-1H-indol-3-yl]vinyl}-1,3,3-trimethyl-3H-indolium iodide",[I-].COC(=O)CCn1c(c(\\C=C\\C2=[N+](C)c3ccc(cc3C2(C)C)S(=O)(=O)C(F)F)c4ccccc14)c5ccccc5,[I-].COC(=O)CCn1c(c(\C=C\C2=[N+](C)c3ccc(cc3C2(C)C)S(=O)(=O)C(F)F)c4ccccc14)c5ccccc5,"InChI=1/C32H31F2N2O4S.HI/c1-32(2)25-20-22(41(38,39)31(33)34)14-16-27(25)35(3)28(32)17-15-24-23-12-8-9-13-26(23)36(19-18-29(37)40-4)30(24)21-10-6-5-7-11-21;/h5-17,20,31H,18-19H2,1-4H3;1H/q+1;/p-1",C32H31F2N2O4S.I,,,,,,RKBKNSWWUNOJEE-UHFFFAOYSA-M,,,,,,,,,,,
100.077.499,285-279-9,85050-07-3,Sodium 5-(1-ethylpyridin-4(1H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetate,"sodium [5-(1-ethylpyridin-4(1H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate",[Na+].CCN1C=CC(=C2SC(=S)N(CC(=O)[O-])C2=O)C=C1,[Na+].CCN1C=CC(=C2SC(=S)N(CC(=O)[O-])C2=O)C=C1,"InChI=1/C12H12N2O3S2.Na/c1-2-13-5-3-8(4-6-13)10-11(17)14(7-9(15)16)12(18)19-10;/h3-6H,2,7H2,1H3,(H,15,16);/q;+1/p-1",C12H12N2O3S2.Na,,,,,,VNXVHNFCGVXGDY-UHFFFAOYSA-M,,,,,,,,,,,
100.072.382,279-644-1,80997-84-8,2-oxooctanenitrile,2-oxooctanenitrile,CCCCCCC(=O)C#N,CCCCCCC(=O)C#N,"InChI=1/C8H13NO/c1-2-3-4-5-6-8(10)7-9/h2-6H2,1H3",C8H13NO,,,,,,PUWGZJVZERGZMD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.385,279-647-8,80997-88-2,4-[(4-aminophenyl)amino]benzenediazonium hydrogen sulphate,4-[(4-aminophenyl)amino]benzenediazonium hydrogen sulfate,Nc1ccc(Nc2ccc(cc2)[N+]#N)cc1.[O-]S(=O)(=O)[O-],Nc1ccc(Nc2ccc(cc2)[N+]#N)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C12H10N4.H2O4S/c13-9-1-3-10(4-2-9)15-11-5-7-12(16-14)8-6-11;1-5(2,3)4/h1-8,13-14H;(H2,1,2,3,4)/p-1",C12H11N4.HO4S,,,,,,AOQGDHBDOBGLHI-UHFFFAOYSA-M,,,,,,,,,,,
100.073.490,280-861-9,83803-44-5,"1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-2-methyl-2H-isoquinolin-6-one","1-(3,4-dimethoxybenzyl)-7-hydroxy-2-methylisoquinolin-6(2H)-one",COc1ccc(CC2=C3C=C(O)C(=O)C=C3C=CN2C)cc1OC,COc1ccc(CC2=C3C=C(O)C(=O)C=C3C=CN2C)cc1OC,"InChI=1/C19H19NO4/c1-20-7-6-13-10-16(21)17(22)11-14(13)15(20)8-12-4-5-18(23-2)19(9-12)24-3/h4-7,9-11,22H,8H2,1-3H3",C19H19NO4,,,,,,WBMGWJGLUWZFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.493,280-865-0,83803-47-8,2-[(3-methylbutyl)thio]ethyl formate,2-[(3-methylbutyl)sulfanyl]ethyl formate,CC(C)CCSCCOC=O,CC(C)CCSCCOC=O,"InChI=1/C8H16O2S/c1-8(2)3-5-11-6-4-10-7-9/h7-8H,3-6H2,1-2H3",C8H16O2S,,,,,,NDVUTZCIHBKAPP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.495,280-867-1,83803-49-0,Benzyl 2-[[2-(phenylmethylene)heptylidene]amino]benzoate,benzyl 2-[(2-benzylideneheptylidene)amino]benzoate,O=C(OCc1ccccc1)c3ccccc3N=CC(=Cc2ccccc2)CCCCC,O=C(OCc1ccccc1)c3ccccc3N=CC(=Cc2ccccc2)CCCCC,"InChI=1/C28H29NO2/c1-2-3-6-17-25(20-23-13-7-4-8-14-23)21-29-27-19-12-11-18-26(27)28(30)31-22-24-15-9-5-10-16-24/h4-5,7-16,18-21H,2-3,6,17,22H2,1H3",C28H29NO2,,,,,,UOPPNCPBLNRIMU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.496,280-868-7,83803-50-3,4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,CC(C)CCCC1=CCC(CC1)C=O,CC(C)CCCC1=CCC(CC1)C=O,"InChI=1/C13H22O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h6,10-11,13H,3-5,7-9H2,1-2H3",C13H22O,,,,,,QXCGZLBKYFEHDE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.498,280-870-8,83803-52-5,4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene,4-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene,COC(OC)C1CCC(=CC1)CCCC(C)C,COC(OC)C1CCC(=CC1)CCCC(C)C,"InChI=1/C15H28O2/c1-12(2)6-5-7-13-8-10-14(11-9-13)15(16-3)17-4/h8,12,14-15H,5-7,9-11H2,1-4H3",C15H28O2,,,,,,WMFBFSHKNMJVFB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.499,280-871-3,83803-53-6,5-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene,5-(dimethoxymethyl)-1-(4-methylpentyl)cyclohexene,COC(OC)C1CCC=C(CCCC(C)C)C1,COC(OC)C1CCC=C(CCCC(C)C)C1,"InChI=1/C15H28O2/c1-12(2)7-5-8-13-9-6-10-14(11-13)15(16-3)17-4/h9,12,14-15H,5-8,10-11H2,1-4H3",C15H28O2,,,,,,UOVNYMFTJCAJIT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.126,282-665-9,84282-19-9,"3,4,5-tribromo-2-chloro-6-methylphenol","3,4,5-tribromo-2-chloro-6-methylphenol",Cc1c(O)c(Cl)c(Br)c(Br)c1Br,Cc1c(O)c(Cl)c(Br)c(Br)c1Br,"InChI=1/C7H4Br3ClO/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3",C7H4Br3ClO,,,,,,MHOWPSNCMPUDPO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.142,282-683-7,84282-38-2,"4-cyclohexyl-2,6-dimethylpyrylium hexafluorophosphate","4-cyclohexyl-2,6-dimethylpyrylium hexafluorophosphate",Cc1cc(cc(C)[o+]1)C2CCCCC2.F[P-](F)(F)(F)(F)F,Cc1cc(cc(C)[o+]1)C2CCCCC2.F[P-](F)(F)(F)(F)F,"InChI=1/C13H19O.F6P/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12;1-7(2,3,4,5)6/h8-9,12H,3-7H2,1-2H3;/q+1;-1",C13H19O.F6P,,,,,,ODUSIOUBYFAULN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.151,282-693-1,84282-48-4,"(E)-2,6-dimethyloct-3-en-2-ol","2,6-dimethyloct-3-en-2-ol",CCC(C)C\\C=C\\C(C)(C)O,CCC(C)C\C=C\C(C)(C)O,"InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h6,8-9,11H,5,7H2,1-4H3",C10H20O,,,,,,MPNPHWUUIRXMIS-SOFGYWHQSA-N,,,,,,,,,,,
100.073.900,281-314-7,83920-54-1,"L-lysine, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)","L-lysine - 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (1:1)",CN1C(=O)N(C)c2[nH]cnc2C1=O.NCCCC[C@H](N)C(=O)O,CN1C(=O)N(C)c2[nH]cnc2C1=O.NCCCC[C@H](N)C(=O)O,"InChI=1/C7H8N4O2.C6H14N2O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-4-2-1-3-5(8)6(9)10/h3H,1-2H3,(H,8,9);5H,1-4,7-8H2,(H,9,10)",C7H8N4O2.C6H14N2O2,,,,,,UBLVUWUKNHKCJJ-ZSCHJXSPSA-N,,,,,,,,,,,
100.073.902,281-316-8,83923-58-4,Diundecylbenzene,"1,2-diundecylbenzene",CCCCCCCCCCCc1ccccc1CCCCCCCCCCC,CCCCCCCCCCCc1ccccc1CCCCCCCCCCC,"InChI=1/C28H50/c1-3-5-7-9-11-13-15-17-19-23-27-25-21-22-26-28(27)24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24H2,1-2H3",C28H50,,,,,,DZUCNDRXUNGSMM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.903,281-317-3,83929-22-0,Methoxymethylbis(3-phenylpropoxy)silane,(methoxymethyl)[bis(3-phenylpropoxy)]silane,COC[SiH](OCCCc1ccccc1)OCCCc2ccccc2,COC[SiH](OCCCc1ccccc1)OCCCc2ccccc2,"InChI=1/C20H28O3Si/c1-21-18-24(22-16-8-14-19-10-4-2-5-11-19)23-17-9-15-20-12-6-3-7-13-20/h2-7,10-13,24H,8-9,14-18H2,1H3",C20H28O3Si,,,,,,MWOGCGPJCURIRB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.905,281-319-4,83929-24-2,Potassium (4-nonylphenyl) phosphonate,potassium 4-nonylphenyl phosphonate,[K+].CCCCCCCCCc1ccc(OP(=O)[O-])cc1,[K+].CCCCCCCCCc1ccc(OP(=O)[O-])cc1,"InChI=1/C15H25O3P.K/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)18-19(16)17;/h10-13,19H,2-9H2,1H3,(H,16,17);/q;+1/p-1",C15H25O3P.K,,,,,,NOKZGOAZUXPUED-UHFFFAOYSA-M,,,,,,,,,,,
100.073.907,281-322-0,83929-26-4,[2-(4-nonylphenoxy)ethyl] potassium phosphonate,potassium 2-(4-nonylphenoxy)ethyl phosphonate,[K+].CCCCCCCCCc1ccc(OCCOP(=O)[O-])cc1,[K+].CCCCCCCCCc1ccc(OCCOP(=O)[O-])cc1,"InChI=1/C17H29O4P.K/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)20-14-15-21-22(18)19;/h10-13,22H,2-9,14-15H2,1H3,(H,18,19);/q;+1/p-1",C17H29O4P.K,,,,,,PFWRPIXFXIZIBV-UHFFFAOYSA-M,,,,,,,,,,,
100.073.917,281-333-0,83929-37-7,4-(4-phenylpiperidin-4-ylcarbonyl)morpholine hydrochloride,4-[(4-phenylpiperidin-4-yl)carbonyl]morpholine hydrochloride,Cl.O=C(N1CCOCC1)C2(CCNCC2)c3ccccc3,Cl.O=C(N1CCOCC1)C2(CCNCC2)c3ccccc3,"InChI=1/C16H22N2O2.ClH/c19-15(18-10-12-20-13-11-18)16(6-8-17-9-7-16)14-4-2-1-3-5-14;/h1-5,17H,6-13H2;1H",C16H22N2O2.ClH,,,,,,BHPBCTQIGBZUCM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.349,269-706-6,68310-26-9,"Diethyl sulphate, compound with N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]docosanamide (1:1)",diethyl sulfate - N-{2-[(2-cyanoethyl){2-[(2-cyanoethyl)amino]ethyl}amino]ethyl}docosanamide (1:1),CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N.CCOS(=O)(=O)OCC,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N.CCOS(=O)(=O)OCC,"InChI=1/C32H61N5O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32(38)36-28-31-37(29-22-25-34)30-27-35-26-21-24-33;1-3-7-9(5,6)8-4-2/h35H,2-23,26-31H2,1H3,(H,36,38);3-4H2,1-2H3",C32H61N5O.C4H10O4S,,,,,,HUVCSHZFONZENL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.576,279-858-5,81959-23-1,"Tetrasodium 4-amino-3,6-bis[[5-[[4-chloro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","tetrasodium 4-amino-3,6-bis{[5-({4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Cc8ccccc8Nc1nc(nc(Cl)n1)Nc7cc(N=Nc6c(cc5cc(c(N=Nc4cc(Nc3nc(Nc2ccccc2C)nc(Cl)n3)ccc4S([O-])(=O)=O)c(O)c5c6N)S([O-])(=O)=O)S([O-])(=O)=O)c(cc7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].Cc8ccccc8Nc1nc(nc(Cl)n1)Nc7cc(N=Nc6c(cc5cc(c(N=Nc4cc(Nc3nc(Nc2ccccc2C)nc(Cl)n3)ccc4S([O-])(=O)=O)c(O)c5c6N)S([O-])(=O)=O)S([O-])(=O)=O)c(cc7)S([O-])(=O)=O,"InChI=1/C42H33Cl2N15O13S4.4Na/c1-19-7-3-5-9-24(19)48-41-52-37(43)50-39(54-41)46-22-11-13-28(73(61,62)63)26(17-22)56-58-34-30(75(67,68)69)15-21-16-31(76(70,71)72)35(36(60)32(21)33(34)45)59-57-27-18-23(12-14-29(27)74(64,65)66)47-40-51-38(44)53-42(55-40)49-25-10-6-4-8-20(25)2;;;;/h3-18,60H,45H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,46,48,50,52,54)(H2,47,49,51,53,55);;;;/q;4*+1/p-4",C42H33Cl2N15O13S4.4Na,,,,,,VTCSFRCKKKNJTO-UHFFFAOYSA-J,,,,,,,,,,,
100.072.585,279-867-4,81982-32-3,Alpiropride,N-[(1-allylpyrrolidin-2-yl)methyl]-4-amino-2-methoxy-5-(methylsulfamoyl)benzamide,CNS(=O)(=O)c1cc(C(=O)NCC2CCCN2CC=C)c(OC)cc1N,CNS(=O)(=O)c1cc(C(=O)NCC2CCCN2CC=C)c(OC)cc1N,"InChI=1/C17H26N4O4S/c1-4-7-21-8-5-6-12(21)11-20-17(22)13-9-16(26(23,24)19-2)14(18)10-15(13)25-3/h4,9-10,12,19H,1,5-8,11,18H2,2-3H3,(H,20,22)",C17H26N4O4S,,,,,,QRQMZZNDJGHPHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.588,279-871-6,81991-00-6,"2,4-dihydro-4,4,5-trimethyl-3H-pyrazole-3-thione","4,4,5-trimethyl-2,4-dihydro-3H-pyrazole-3-thione",CC1=NNC(=S)C1(C)C,CC1=NNC(=S)C1(C)C,"InChI=1/C6H10N2S/c1-4-6(2,3)5(9)8-7-4/h1-3H3,(H,8,9)",C6H10N2S,,,,,,DSTFJEMZCXLLPG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.590,279-873-7,82001-48-7,1-[[2-[(2-aminoethyl)amino]ethyl]amino]-3-phenoxypropan-2-ol,1-({2-[(2-aminoethyl)amino]ethyl}amino)-3-phenoxypropan-2-ol,NCCNCCNCC(O)COc1ccccc1,NCCNCCNCC(O)COc1ccccc1,"InChI=1/C13H23N3O2/c14-6-7-15-8-9-16-10-12(17)11-18-13-4-2-1-3-5-13/h1-5,12,15-17H,6-11,14H2",C13H23N3O2,,,,,,QSBWVURHHXWCOR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.593,279-876-3,82009-35-6,(S)-1-[N2-(1-carboxy-3-phenylpropyl)-L-lysyl]-L-proline disulphate,N~2~-(1-carboxy-3-phenylpropyl)-L-lysyl-L-proline disulfate,NCCCC[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,NCCCC[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1/C21H31N3O5.2H2O4S/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;2*1-5(2,3)4/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*(H2,1,2,3,4)",C21H31N3O5.2H2O4S,,,,,,RBELRHANIDWKTK-PLYOONJQSA-N,,,,,,,,,,,
100.072.594,279-877-9,82009-37-8,1-[N-[1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl]-L-proline maleate,N-[1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-L-proline but-2-enedioate,CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.OC(=O)\\C=C/C(=O)O,CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.OC(=O)\C=C/C(=O)O,"InChI=1/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)",C20H28N2O5.C4H4O4,,,,,,OYFJQPXVCSSHAI-DYAOETJFSA-N,,,,,,,,,,,
100.072.597,279-881-0,82010-86-4,1-[(2-hydroxyethyl)thio]-3-[3-[(2-hydroxyethyl)thio]propoxy]propan-2-ol,1-[(2-hydroxyethyl)sulfanyl]-3-{3-[(2-hydroxyethyl)sulfanyl]propoxy}propan-2-ol,OCCSCCCOCC(O)CSCCO,OCCSCCCOCC(O)CSCCO,"InChI=1/C10H22O4S2/c11-2-6-15-5-1-4-14-8-10(13)9-16-7-3-12/h10-13H,1-9H2",C10H22O4S2,,,,,,SZWVOMMXOJCQNB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.599,279-883-1,82010-88-6,"Carbonic acid, compound with 1-(2-methoxyphenyl)piperazine (1:2)",carbonic acid - 1-(2-methoxyphenyl)piperazine (1:2),COc1ccccc1N2CCNCC2.COc3ccccc3N4CCNCC4.OC(=O)O,COc1ccccc1N2CCNCC2.COc3ccccc3N4CCNCC4.OC(=O)O,"InChI=1/2C11H16N2O.CH2O3/c2*1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;2-1(3)4/h2*2-5,12H,6-9H2,1H3;(H2,2,3,4)",C11H16N2O.1/2CH2O3,,,,,,INQXKLUQTNOTIG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.603,279-887-3,82010-92-2,2-[(3-methylbut-2-enyl)thio]ethanol,2-[(3-methylbut-2-en-1-yl)sulfanyl]ethanol,CC(=CCSCCO)C,CC(=CCSCCO)C,"InChI=1/C7H14OS/c1-7(2)3-5-9-6-4-8/h3,8H,4-6H2,1-2H3",C7H14OS,,,,,,IIZFSNCPYXUIHC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.611,279-896-2,82065-82-5,Sodium 2-[[4-(diethylamino)phenyl]azo]benzoate,sodium 2-{[4-(diethylamino)phenyl]diazenyl}benzoate,[Na+].CCN(CC)c2ccc(N=Nc1ccccc1C([O-])=O)cc2,[Na+].CCN(CC)c2ccc(N=Nc1ccccc1C([O-])=O)cc2,"InChI=1/C17H19N3O2.Na/c1-3-20(4-2)14-11-9-13(10-12-14)18-19-16-8-6-5-7-15(16)17(21)22;/h5-12H,3-4H2,1-2H3,(H,21,22);/q;+1/p-1",C17H19N3O2.Na,,,,,,YXMJFRIGFACAPU-UHFFFAOYSA-M,,,,,,,,,,,
100.062.295,268-545-9,68123-28-4,"4-chloro-4-methyl-1,3-dioxa-2-thia-4-silacycloheptane 2,2-dioxide","4-chloro-4-methyl-1,3,2,4-dioxathiasilepane 2,2-dioxide",C[Si]1(Cl)CCCOS(=O)(=O)O1,C[Si]1(Cl)CCCOS(=O)(=O)O1,"InChI=1/C4H9ClO4SSi/c1-11(5)4-2-3-8-10(6,7)9-11/h2-4H2,1H3",C4H9ClO4SSi,,,,,,ZSGSKCKHOVFCJP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.392,281-858-5,84041-78-1,"Hexasodium 3,3'-[carbonylbis[imino(1-hydroxy-3-sulphonatonaphthalene-6,2-diyl)azo]]bis[6-hydroxy-5-sulphonatobenzoate]",hexasodium 5-({6-[({6-[(3-carboxylato-4-hydroxy-5-sulfonatophenyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}carbamoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-2-hydroxy-3-sulfonatobenzoate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c1cc(cc(C([O-])=O)c1O)N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2cc(C([O-])=O)c(O)c(c2)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c1cc(cc(C([O-])=O)c1O)N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2cc(C([O-])=O)c(O)c(c2)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,"InChI=1/C35H24N6O21S4.6Na/c42-29-21(33(46)47)9-17(11-25(29)65(57,58)59)38-40-27-23(63(51,52)53)7-13-5-15(1-3-19(13)31(27)44)36-35(50)37-16-2-4-20-14(6-16)8-24(64(54,55)56)28(32(20)45)41-39-18-10-22(34(48)49)30(43)26(12-18)66(60,61)62;;;;;;/h1-12,42-45H,(H,46,47)(H,48,49)(H2,36,37,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6",C35H24N6O21S4.6Na,,,,,,NXPZZIZRNNZOOS-UHFFFAOYSA-H,,,,,,,,,,,
100.046.700,251-385-9,33125-97-2,Etomidate,ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate,CCOC(=O)c1cncn1C(C)c2ccccc2,CCOC(=O)c1cncn1C(C)c2ccccc2,"InChI=1/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3",C14H16N2O2,,,,,,NPUKDXXFDDZOKR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.702,251-388-5,33130-03-9,"trans-2,3,4-trimethoxycinnamic acid","3-(2,3,4-trimethoxyphenyl)acrylic acid",COc1ccc(\\C=C\\C(=O)O)c(OC)c1OC,COc1ccc(\C=C\C(=O)O)c(OC)c1OC,"InChI=1/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)",C12H14O5,,,,,,ZYOPDNLIHHFGEC-FNORWQNLSA-N,,,,,,,,,,,
100.046.705,251-391-1,33143-35-0,Sodium 2-(hexyloxy)ethyl sulphate,sodium 2-(hexyloxy)ethyl sulfate,[Na+].CCCCCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCOCCOS(=O)(=O)[O-],"InChI=1/C8H18O5S.Na/c1-2-3-4-5-6-12-7-8-13-14(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1",C8H18O5S.Na,,,,,,DDOCWORBIBZICT-UHFFFAOYSA-M,,,,,,,,,,,
100.046.707,251-393-2,33144-86-4,"1,2-dihydro-5-methyl-3-selenoxo-3H-1,2,4-triazole","5-methyl-1,2-dihydro-3H-1,2,4-triazole-3-selone",CC1=NC(=[Se])NN1,CC1=NC(=[Se])NN1,"InChI=1/C3H5N3Se/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)",C3H5N3Se,,,,,,DISVYAZUIXDZBO-UHFFFAOYSA-N,,,,,,,,,,,
100.046.718,251-406-1,33204-76-1,Quadrosilan,"2,2,4,6,6,8-hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane",C[Si]1(C)O[Si@@](C)(O[Si](C)(C)O[Si@@](C)(O1)c2ccccc2)c3ccccc3,C[Si]1(C)O[Si@@](C)(O[Si](C)(C)O[Si@@](C)(O1)c2ccccc2)c3ccccc3,"InChI=1/C18H28O4Si4/c1-23(2)19-25(5,17-13-9-7-10-14-17)21-24(3,4)22-26(6,20-23)18-15-11-8-12-16-18/h7-16H,1-6H3",C18H28O4Si4,,,,,,ZTQZMPQJXABFNC-WMPKNSHKSA-N,,,,,,,,,,,
100.046.727,251-416-6,33237-72-8,N-phenylindan-2-amine,N-phenylindan-2-amine,C1C(Cc2ccccc12)Nc3ccccc3,C1C(Cc2ccccc12)Nc3ccccc3,"InChI=1/C15H15N/c1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15/h1-9,15-16H,10-11H2",C15H15N,,,,,,MHVHCDLCLNXADJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.728,251-417-1,33237-73-9,"(2,3-dihydro-1H-inden-2-yl)(phenyl)ammonium chloride",N-phenylindan-2-aminium chloride,[Cl-].C1C(Cc2ccccc12)[NH2+]c3ccccc3,[Cl-].C1C(Cc2ccccc12)[NH2+]c3ccccc3,"InChI=1/C15H15N.ClH/c1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15;/h1-9,15-16H,10-11H2;1H",C15H15N.ClH,,,,,,NULCHMBQAARIQM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.734,251-423-4,33242-54-5,"2,4-dibenzyl-6-bromo-1,2,4-triazine-3,5(2H,4H)-dione","2,4-dibenzyl-6-bromo-1,2,4-triazine-3,5(2H,4H)-dione",BrC1=NN(Cc2ccccc2)C(=O)N(Cc3ccccc3)C1=O,BrC1=NN(Cc2ccccc2)C(=O)N(Cc3ccccc3)C1=O,"InChI=1/C17H14BrN3O2/c18-15-16(22)20(11-13-7-3-1-4-8-13)17(23)21(19-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2",C17H14BrN3O2,,,,,,YBZGYEZYYVYYCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.459,277-528-5,73528-78-6,"5-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-2,5-dimethoxyphenyl]azo]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile","5-({4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile",[O-][N+](=O)c3cc(Cl)c(N=Nc1cc(OC)c(cc1OC)N=Nc2c(C)c(C#N)c(NCCOC)nc2NCCOC)c(Cl)c3,[O-][N+](=O)c3cc(Cl)c(N=Nc1cc(OC)c(cc1OC)N=Nc2c(C)c(C#N)c(NCCOC)nc2NCCOC)c(Cl)c3,"InChI=1/C27H29Cl2N9O6/c1-15-17(14-30)26(31-6-8-41-2)33-27(32-7-9-42-3)24(15)36-34-20-12-23(44-5)21(13-22(20)43-4)35-37-25-18(28)10-16(38(39)40)11-19(25)29/h10-13H,6-9H2,1-5H3,(H2,31,32,33)",C27H29Cl2N9O6,,,,,,ISWMXLOQKPDJJE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.464,277-533-2,73545-19-4,"(Z)-1,1-diethoxy-4-decene","1,1-diethoxydec-4-ene",CCCCC\\C=C/CCC(OCC)OCC,CCCCC\C=C/CCC(OCC)OCC,"InChI=1/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h10-11,14H,4-9,12-13H2,1-3H3",C14H28O2,,,,,,PJGNMGFVWOAXQU-KHPPLWFESA-N,,,,,,,,,,,
100.070.465,277-534-8,73545-23-0,"N-[16,16-bis(2-methoxyethoxy)-17,20-dioxa-3,6,9,12-tetraaza-16-silahenicos-1-yl]nonanamide monohydrochloride","N-[16,16-bis(2-methoxyethoxy)-17,20-dioxa-3,6,9,12-tetraaza-16-silahenicos-1-yl]nonanamide hydrochloride",Cl.CCCCCCCCC(=O)NCCNCCNCCNCCNCCC[Si](OCCOC)(OCCOC)OCCOC,Cl.CCCCCCCCC(=O)NCCNCCNCCNCCNCCC[Si](OCCOC)(OCCOC)OCCOC,"InChI=1/C29H65N5O7Si.ClH/c1-5-6-7-8-9-10-12-29(35)34-21-20-33-19-18-32-17-16-31-15-14-30-13-11-28-42(39-25-22-36-2,40-26-23-37-3)41-27-24-38-4;/h30-33H,5-28H2,1-4H3,(H,34,35);1H",C29H65N5O7Si.ClH,,,,,,XMJZJHFPKVDLQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.402,279-666-1,81028-96-8,N-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)methyl]sarcosine,N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-6-yl)methyl]-N-methylglycine,CN(CC(=O)O)Cc1cc2C(=CC(=O)Oc2cc1O)C,CN(CC(=O)O)Cc1cc2C(=CC(=O)Oc2cc1O)C,"InChI=1/C14H15NO5/c1-8-3-14(19)20-12-5-11(16)9(4-10(8)12)6-15(2)7-13(17)18/h3-5,16H,6-7H2,1-2H3,(H,17,18)",C14H15NO5,,,,,,KRMRPQPGZHQMDD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.403,279-667-7,81028-97-9,N-(2-aminoethyl)-4-hydroxybenzamide monohydrochloride,N-(2-aminoethyl)-4-hydroxybenzamide hydrochloride,Cl.NCCNC(=O)c1ccc(O)cc1,Cl.NCCNC(=O)c1ccc(O)cc1,"InChI=1/C9H12N2O2.ClH/c10-5-6-11-9(13)7-1-3-8(12)4-2-7;/h1-4,12H,5-6,10H2,(H,11,13);1H",C9H12N2O2.ClH,,,,,,WJZFVXOOYDREFR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.405,279-669-8,81028-99-1,N-[3-(diethylamino)propyl]-4-ethoxybenzamide monohydrochloride,N-[3-(diethylamino)propyl]-4-ethoxybenzamide hydrochloride,Cl.CCOc1ccc(cc1)C(=O)NCCCN(CC)CC,Cl.CCOc1ccc(cc1)C(=O)NCCCN(CC)CC,"InChI=1/C16H26N2O2.ClH/c1-4-18(5-2)13-7-12-17-16(19)14-8-10-15(11-9-14)20-6-3;/h8-11H,4-7,12-13H2,1-3H3,(H,17,19);1H",C16H26N2O2.ClH,,,,,,BOGKQHXCXNSGJI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.287,281-741-9,84029-72-1,"Dodecyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate","dodecyl 6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dien-1-oate",CCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCC,"InChI=1/2C16H28O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*12-13H,2-11,14H2,1H3,(H,17,18);2*1,3-12H2,2H3;/q;;;;+2/p-2/rC56H104O8Sn/c1-5-9-13-17-21-25-29-33-37-41-49-61-53(57)45-47-55(59)63-65(51-43-39-35-31-27-23-19-15-11-7-3,52-44-40-36-32-28-24-20-16-12-8-4)64-56(60)48-46-54(58)62-50-42-38-34-30-26-22-18-14-10-6-2/h45-48H,5-44,49-52H2,1-4H3",C56H104O8Sn,,,,,,DETMVBCKVFEAAM-NUJFUEHTSA-L,,,,,,,,,,,
100.074.298,281-753-4,84029-83-4,"4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide","4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)-2-naphthamide",Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1cccc(c1)[N+]([O-])=O)c2O,Clc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1cccc(c1)[N+]([O-])=O)c2O,"InChI=1/C23H14Cl2N4O4/c24-14-8-9-19(25)20(11-14)27-28-21-17-7-2-1-4-13(17)10-18(22(21)30)23(31)26-15-5-3-6-16(12-15)29(32)33/h1-12,30H,(H,26,31)",C23H14Cl2N4O4,,,,,,CICZEPSFMHEEHC-UHFFFAOYSA-N,,,,,,,,,,,
100.074.308,281-764-4,84029-93-6,"3-(1-ethoxyethoxy)-3,7-dimethyloct-1-ene","3-(1-ethoxyethoxy)-3,7-dimethyloct-1-ene",CCOC(C)OC(C)(CCCC(C)C)C=C,CCOC(C)OC(C)(CCCC(C)C)C=C,"InChI=1/C14H28O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,12-13H,1,8-11H2,2-6H3",C14H28O2,,,,,,IJOLRHXMJRNZNP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.311,281-768-6,84029-97-0,1-(tert-butyl)-5-methylnaphthalene,1-tert-butyl-5-methylnaphthalene,Cc1cccc2c(cccc12)C(C)(C)C,Cc1cccc2c(cccc12)C(C)(C)C,"InChI=1/C15H18/c1-11-7-5-9-13-12(11)8-6-10-14(13)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,PCDPDRIMDNQRGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.312,281-769-1,84029-98-1,6-(tert-butyl)-1-methylnaphthalene,6-tert-butyl-1-methylnaphthalene,Cc1cccc2cc(ccc12)C(C)(C)C,Cc1cccc2cc(ccc12)C(C)(C)C,"InChI=1/C15H18/c1-11-6-5-7-12-10-13(15(2,3)4)8-9-14(11)12/h5-10H,1-4H3",C15H18,,,,,,UJCRBWGNDBJACW-UHFFFAOYSA-N,,,,,,,,,,,
100.074.317,281-774-9,84030-04-6,"2-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxin","2-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine",ClCCC1COc2ccccc2O1,ClCCC1COc2ccccc2O1,"InChI=1/C10H11ClO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5-7H2",C10H11ClO2,,,,,,PUZFWZPNWKLEFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.318,281-775-4,84030-05-7,"2-(2-bromoethyl)-2,3-dihydro-1,4-benzodioxin","2-(2-bromoethyl)-2,3-dihydro-1,4-benzodioxine",BrCCC1COc2ccccc2O1,BrCCC1COc2ccccc2O1,"InChI=1/C10H11BrO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5-7H2",C10H11BrO2,,,,,,IHKSIYHMJHEJOS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.321,281-779-6,84030-08-0,Cyclohexyldidodecylphosphine,cyclohexyl(didodecyl)phosphine,CCCCCCCCCCCCP(CCCCCCCCCCCC)C1CCCCC1,CCCCCCCCCCCCP(CCCCCCCCCCCC)C1CCCCC1,"InChI=1/C30H61P/c1-3-5-7-9-11-13-15-17-19-24-28-31(30-26-22-21-23-27-30)29-25-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3",C30H61P,,,,,,LTOGYKDPAPFFOG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.322,281-780-1,84030-09-1,Cyclohexyldioctadecylphosphine,cyclohexyl(dioctadecyl)phosphine,CCCCCCCCCCCCCCCCCCP(CCCCCCCCCCCCCCCCCC)C1CCCCC1,CCCCCCCCCCCCCCCCCCP(CCCCCCCCCCCCCCCCCC)C1CCCCC1,"InChI=1/C42H85P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43(42-38-34-33-35-39-42)41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-41H2,1-2H3",C42H85P,,,,,,DFFVSDBMOHTCCY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.324,281-782-2,84030-12-6,"5-ethyldihydro-2-thioxo-5-(p-tolyl)pyrimidine-4,6(1H,5H)-dione","5-ethyl-5-(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCC1(C(=O)NC(=S)NC1=O)c2ccc(C)cc2,CCC1(C(=O)NC(=S)NC1=O)c2ccc(C)cc2,"InChI=1/C13H14N2O2S/c1-3-13(9-6-4-8(2)5-7-9)10(16)14-12(18)15-11(13)17/h4-7H,3H2,1-2H3,(H2,14,15,16,17,18)",C13H14N2O2S,,,,,,FOKRXEOEPBXDII-UHFFFAOYSA-N,,,,,,,,,,,
100.073.927,281-345-6,83929-53-7,1-(4-piperidyl)acetone hydrochloride,1-piperidin-4-ylacetone hydrochloride,Cl.CC(=O)CC1CCNCC1,Cl.CC(=O)CC1CCNCC1,"InChI=1/C8H15NO.ClH/c1-7(10)6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H",C8H15NO.ClH,,,,,,HFRVRAMDPDHUSH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.934,281-352-4,83929-60-6,"Ammonium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-8-methylquinoline-6-sulphonate","ammonium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-8-methylquinoline-6-sulfonate",[NH4+].Cc1cc(cc2ccc(nc12)C3C(=O)c4ccccc4C3=O)S(=O)(=O)[O-],[NH4+].Cc1cc(cc2ccc(nc12)C3C(=O)c4ccccc4C3=O)S(=O)(=O)[O-],"InChI=1/C19H13NO5S.H3N/c1-10-8-12(26(23,24)25)9-11-6-7-15(20-17(10)11)16-18(21)13-4-2-3-5-14(13)19(16)22;/h2-9,16H,1H3,(H,23,24,25);1H3",C19H13NO5S.H3N,,,,,,RKISPOSIILNMRP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.935,281-354-5,83929-61-7,"Ammonium 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulphonate","ammonium 3-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulfonate",[NH4+].Oc1cc(cc2c1ccc3nc(ccc23)C4C(=O)c5ccccc5C4=O)S(=O)(=O)[O-],[NH4+].Oc1cc(cc2c1ccc3nc(ccc23)C4C(=O)c5ccccc5C4=O)S(=O)(=O)[O-],"InChI=1/C22H13NO6S.H3N/c24-19-10-11(30(27,28)29)9-16-12-5-8-18(23-17(12)7-6-13(16)19)20-21(25)14-3-1-2-4-15(14)22(20)26;/h1-10,20,24H,(H,27,28,29);1H3",C22H13NO6S.H3N,,,,,,XZAIDLNDCLKTLD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.368,282-930-9,84473-76-7,4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde oxime,4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde oxime,ON=CC1C\\C=C(/CC1)CC\\C=C(/C)C,ON=CC1C\C=C(/CC1)CC\C=C(/C)C,"InChI=1/C13H21NO/c1-11(2)4-3-5-12-6-8-13(9-7-12)10-14-15/h4,6,10,13,15H,3,5,7-9H2,1-2H3",C13H21NO,,,,,,FVMBBXHSFKHLSN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.370,282-933-5,84473-78-9,"Ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate","ethyl 3-(2,4-dimethylcyclohex-3-en-1-yl)oxirane-2-carboxylate",CCOC(=O)C1OC1C2CCC(=CC2C)C,CCOC(=O)C1OC1C2CCC(=CC2C)C,"InChI=1/C13H20O3/c1-4-15-13(14)12-11(16-12)10-6-5-8(2)7-9(10)3/h7,9-12H,4-6H2,1-3H3",C13H20O3,,,,,,LTCVMBPRCIDPHB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.372,282-935-6,84473-80-3,Ethyl 3-[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]oxirane-2-carboxylate,ethyl 3-[3-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]oxirane-2-carboxylate,CCOC(=O)C1OC1C2CCC=C(CCC=C(C)C)C2,CCOC(=O)C1OC1C2CCC=C(CCC=C(C)C)C2,"InChI=1/C17H26O3/c1-4-19-17(18)16-15(20-16)14-10-6-9-13(11-14)8-5-7-12(2)3/h7,9,14-16H,4-6,8,10-11H2,1-3H3",C17H26O3,,,,,,FTOQVEJIYGGRDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.883,284-602-0,84946-00-9,"4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine","4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine",CCCCCCN(CCCCCC)c1nc(Cl)nc(Cl)n1,CCCCCCN(CCCCCC)c1nc(Cl)nc(Cl)n1,"InChI=1/C15H26Cl2N4/c1-3-5-7-9-11-21(12-10-8-6-4-2)15-19-13(16)18-14(17)20-15/h3-12H2,1-2H3",C15H26Cl2N4,,,,,,FLRXLJWKNAUVQU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.884,284-603-6,84946-01-0,"N-ethyl-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine","N~2~-ethyl-N~4~,N~6~-diisopropyl-1,3,5-triazine-2,4,6-triamine",CCNc1nc(NC(C)C)nc(NC(C)C)n1,CCNc1nc(NC(C)C)nc(NC(C)C)n1,"InChI=1/C11H22N6/c1-6-12-9-15-10(13-7(2)3)17-11(16-9)14-8(4)5/h7-8H,6H2,1-5H3,(H3,12,13,14,15,16,17)",C11H22N6,,,,,,JXSQHULMJXTBLU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.897,284-617-2,84946-14-5,N-(2-hydroxyethyl)-2-nitrobenzamide,N-(2-hydroxyethyl)-2-nitrobenzamide,OCCNC(=O)c1ccccc1[N+](=O)[O-],OCCNC(=O)c1ccccc1[N+](=O)[O-],"InChI=1/C9H10N2O4/c12-6-5-10-9(13)7-3-1-2-4-8(7)11(14)15/h1-4,12H,5-6H2,(H,10,13)",C9H10N2O4,,,,,,DDHRZXUHAFEJIO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.899,284-619-3,84946-16-7,4-amino-5-chloro-2-methoxy-N-(3-methoxy-4-piperidyl)benzamide,4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide,COC1CNCCC1NC(=O)c2cc(Cl)c(N)cc2OC,COC1CNCCC1NC(=O)c2cc(Cl)c(N)cc2OC,"InChI=1/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)",C14H20ClN3O3,,,,,,OMLDMGPCWMBPAN-UHFFFAOYSA-N,,,,,,,,,,,
100.076.902,284-623-5,84946-19-0,2-[[bis(4-fluorophenyl)methyl]amino]ethanol,2-{[bis(4-fluorophenyl)methyl]amino}ethanol,OCCNC(c1ccc(F)cc1)c2ccc(F)cc2,OCCNC(c1ccc(F)cc1)c2ccc(F)cc2,"InChI=1/C15H15F2NO/c16-13-5-1-11(2-6-13)15(18-9-10-19)12-3-7-14(17)8-4-12/h1-8,15,18-19H,9-10H2",C15H15F2NO,,,,,,YWZXYBOYTASOSM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.007,279-232-1,79679-86-0,Bis(3-phenyl-L-alanine) sulphate,phenylalanine sulfate (2:1),N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc2ccccc2)C(=O)O.OS(=O)(=O)O,N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc2ccccc2)C(=O)O.OS(=O)(=O)O,"InChI=1/2C9H11NO2.H2O4S/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;1-5(2,3)4/h2*1-5,8H,6,10H2,(H,11,12);(H2,1,2,3,4)",C9H11NO2.1/2H2O4S,,,,,,HMAAOTWUEFTWQD-QXGOIDDHSA-N,,,,,,,,,,,
100.072.013,279-238-4,79709-84-5,trans-1-butoxy-4-(4-propylcyclohexyl)benzene,1-butoxy-4-(4-propylcyclohexyl)benzene,CCCCOc1ccc(cc1)C2CCC(CCC)CC2,CCCCOc1ccc(cc1)C2CCC(CCC)CC2,"InChI=1/C19H30O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h11-14,16-17H,3-10,15H2,1-2H3",C19H30O,,,,,,BPVJENLMEMWFBW-UHFFFAOYSA-N,,,,,,,,,,,
100.072.025,279-252-0,79756-81-3,a-methyl-o-(trifluoromethyl)benzyl alcohol,1-[2-(trifluoromethyl)phenyl]ethanol,CC(O)c1ccccc1C(F)(F)F,CC(O)c1ccccc1C(F)(F)F,"InChI=1/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3",C9H9F3O,,,,,,VGHBIJJTMFYTPY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.305,268-556-9,68123-40-0,"1-allyl-1,1-dimethyl-2-stearoylhydrazinium chloride","1-allyl-1,1-dimethyl-2-stearoyldiazanium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)N[N+](C)(C)CC=C,[Cl-].CCCCCCCCCCCCCCCCCC(=O)N[N+](C)(C)CC=C,"InChI=1/C23H46N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-25(3,4)22-6-2;/h6H,2,5,7-22H2,1,3-4H3;1H",C23H47N2O.Cl,,,,,,MARWWCQBTYFPIO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.308,268-560-0,68123-43-3,"Formic acid, compound with (R*,R*)-a-(1-aminoethyl)benzenemethanol (1:1)",formic acid - 2-amino-1-phenylpropan-1-ol (1:1),CC(N)C(O)c1ccccc1.OC=O,CC(N)C(O)c1ccccc1.OC=O,"InChI=1/C9H13NO.CH2O2/c1-7(10)9(11)8-5-3-2-4-6-8;2-1-3/h2-7,9,11H,10H2,1H3;1H,(H,2,3)",C9H13NO.CH2O2,,,,,,VTGFBOCZCVIDHO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.318,268-571-0,68127-33-3,Potassium hydrogen 5(or 6)-carboxylato-4-hexylcyclohex-2-ene-1-octanoate,potassium 8-(5-carboxy-4-hexylcyclohex-2-en-1-yl)octanoate,[K+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O,[K+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O,"InChI=1/C21H36O4.K/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1",C21H36O4.xK,,,,,,NQEIIANRMIDQRR-UHFFFAOYSA-M,,,,,,,,,,,
100.063.353,269-710-8,68310-42-9,"Strychnidin-10-one, 2,3-dimethoxy-, compd. with (S)-mono(1-methylheptyl)-1,2-benzenedicarboxylate (1:1)",-,CCCCCC[C@H](C)c1cccc(C(=O)[O-])c1C(=O)[O-].COc2cc3N4[C@H]5[C@@H]6[C@H](CC4=O)OCC=C7CN8CC[C@]5([C@@H]8C[C@H]67)c3cc2OC,CCCCCC[C@H](C)c1cccc(C(=O)[O-])c1C(=O)[O-].COc2cc3N4[C@H]5[C@@H]6[C@H](CC4=O)OCC=C7CN8CC[C@]5([C@@H]8C[C@H]67)c3cc2OC,"InChI=1/C23H26N2O4.C16H22O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-3-4-5-6-8-11(2)12-9-7-10-13(15(17)18)14(12)16(19)20/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)/p-2",C23H26N2O4.C16H22O4,,,,,,AIGCMVGMKTZIPN-OWFMKFBASA-L,,,,,,,,,,,
100.063.358,269-716-0,68310-49-6,"N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-m-phenylene)]tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)","N,N',N''-[(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tris(2-methyl-3,1-phenylene)]tris(2-oxoazepane-1-carboxamide)",Cc1c(NC(=O)N2CCCCCC2=O)cccc1N3C(=O)N(C(=O)N(C3=O)c4cccc(NC(=O)N5CCCCCC5=O)c4C)c6cccc(NC(=O)N7CCCCCC7=O)c6C,Cc1c(NC(=O)N2CCCCCC2=O)cccc1N3C(=O)N(C(=O)N(C3=O)c4cccc(NC(=O)N5CCCCCC5=O)c4C)c6cccc(NC(=O)N7CCCCCC7=O)c6C,"InChI=1/C45H51N9O9/c1-28-31(46-40(58)49-25-10-4-7-22-37(49)55)16-13-19-34(28)52-43(61)53(35-20-14-17-32(29(35)2)47-41(59)50-26-11-5-8-23-38(50)56)45(63)54(44(52)62)36-21-15-18-33(30(36)3)48-42(60)51-27-12-6-9-24-39(51)57/h13-21H,4-12,22-27H2,1-3H3,(H,46,58)(H,47,59)(H,48,60)",C45H51N9O9,,,,,,SQUJXPIMSYXOJD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.360,269-718-1,68310-59-8,Neryl hexanoate,"3,7-dimethylocta-2,6-dien-1-yl hexanoate",CCCCCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCCCCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3",C16H28O2,,,,,,ARVSCQUZFFSNKF-NTCAYCPXSA-N,,,,,,,,,,,
100.063.370,269-729-1,68310-72-5,"1-ethyl-2-heptadecyl-4,5-dihydro-3-[2-[(1-oxooctadecyl)amino]ethyl]-1H-imidazolium ethyl sulphate",1-ethyl-2-heptadecyl-3-[2-(stearoylamino)ethyl]imidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCCCCCCCC1N(CCNC(=O)CCCCCCCCCCCCCCCCC)CC[NH+]1CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC1N(CCNC(=O)CCCCCCCCCCCCCCCCC)CC[NH+]1CC.CCOS(=O)(=O)[O-],"InChI=1/C42H85N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-38-45-40-39-44(6-3)42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h42H,4-40H2,1-3H3,(H,43,46);2H2,1H3,(H,3,4,5)",C42H84N3O.C2H5O4S,,,,,,XIHANDFXMDPLRG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.371,269-730-7,68310-73-6,"(Z)-N,N,N,N',N'-pentamethyl-N'-octadec-9-enyl-N,N'-propane-1,3-diyldiammonium dichloride","N,N,N,N',N'-pentamethyl-N'-octadec-9-en-1-ylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](C)(C)CCC[N+](C)(C)C,[Cl-].[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(C)CCC[N+](C)(C)C,"InChI=1/C26H56N2.2ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(5,6)26-23-24-27(2,3)4;;/h14-15H,7-13,16-26H2,1-6H3;2*1H/q+2;;/p-2",C26H56N2.2Cl,,,,,,XERDYBRCVFVRCH-GEKVWEGFSA-L,,,,,,,,,,,
100.068.252,275-100-2,70994-19-3,12-aminododec-4-enoic acid,12-aminododec-4-enoic acid,OC(=O)CCC=CCCCCCCCN,OC(=O)CCC=CCCCCCCCN,"InChI=1/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h4,6H,1-3,5,7-11,13H2,(H,14,15)",C12H23NO2,,,,,,HYAXMGTZOLISRL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.258,275-107-0,71002-19-2,Sodium 3-[(4-acetamidophenyl)azo]-4-amino-5-hydroxy-6-(phenylazo)naphthalene-1-sulphonate,sodium 3-[(4-acetamidophenyl)diazenyl]-4-amino-5-hydroxy-6-(phenyldiazenyl)naphthalene-1-sulfonate,[Na+].CC(=O)Nc1ccc(cc1)N=Nc3cc(c4ccc(N=Nc2ccccc2)c(O)c4c3N)S([O-])(=O)=O,[Na+].CC(=O)Nc1ccc(cc1)N=Nc3cc(c4ccc(N=Nc2ccccc2)c(O)c4c3N)S([O-])(=O)=O,"InChI=1/C24H20N6O5S.Na/c1-14(31)26-15-7-9-17(10-8-15)28-30-20-13-21(36(33,34)35)18-11-12-19(24(32)22(18)23(20)25)29-27-16-5-3-2-4-6-16;/h2-13,32H,25H2,1H3,(H,26,31)(H,33,34,35);/q;+1/p-1",C24H20N6O5S.Na,,,,,,JZEMDMQSSTZESF-UHFFFAOYSA-M,,,,,,,,,,,
100.077.490,285-269-4,85049-96-3,m-(m-toluidino)phenol,3-[(3-methylphenyl)amino]phenol,Cc1cccc(Nc2cccc(O)c2)c1,Cc1cccc(Nc2cccc(O)c2)c1,"InChI=1/C13H13NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13(15)9-12/h2-9,14-15H,1H3",C13H13NO,,,,,,NNOAVNCSVAGCLY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.466,277-535-3,73553-70-5,1-[4-[(4-phenoxyphenyl)methyl]thiazol-2-yl]piperazine monohydrochloride,"1-[4-(4-phenoxybenzyl)-1,3-thiazol-2-yl]piperazine hydrochloride",Cl.C(c1ccc(Oc2ccccc2)cc1)c3csc(n3)N4CCNCC4,Cl.C(c1ccc(Oc2ccccc2)cc1)c3csc(n3)N4CCNCC4,"InChI=1/C20H21N3OS.ClH/c1-2-4-18(5-3-1)24-19-8-6-16(7-9-19)14-17-15-25-20(22-17)23-12-10-21-11-13-23;/h1-9,15,21H,10-14H2;1H",C20H21N3OS.ClH,,,,,,BHLUGYODRPFQRG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.472,277-542-1,73579-08-5,1-methyl-4-(methylamino)piperidine,"N,1-dimethylpiperidin-4-amine",CNC1CCN(C)CC1,CNC1CCN(C)CC1,"InChI=1/C7H16N2/c1-8-7-3-5-9(2)6-4-7/h7-8H,3-6H2,1-2H3",C7H16N2,,,,,,XRYGCVVVDCEPRL-UHFFFAOYSA-N,,,,,,,,,,,
100.049.146,254-079-3,38680-83-0,"9ß,11ß-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate","17-hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C,"InChI=1/C23H28O6/c1-13(24)28-12-18(26)22(27)9-7-16-17-5-4-14-10-15(25)6-8-20(14,2)23(17)19(29-23)11-21(16,22)3/h6,8,10,16-17,19,27H,4-5,7,9,11-12H2,1-3H3",C23H28O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12610,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.146,DBNHODAAFAHQNY-WWUWEVONSA-N,,,,,,,,,,,
100.049.150,254-084-0,38690-76-5,p-cyanophenyl p-heptylbenzoate,4-cyanophenyl 4-heptylbenzoate,CCCCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,CCCCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,"InChI=1/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3",C21H23NO2,,,,,,ZWAUTNYPKHVAEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.049.151,254-085-6,38690-77-6,p-cyanophenyl p-butylbenzoate,4-cyanophenyl 4-butylbenzoate,CCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,CCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N,"InChI=1/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3",C18H17NO2,,,,,,XQRFASOUJIKXRE-UHFFFAOYSA-N,,,,,,,,,,,
100.049.152,254-086-1,38690-78-7,4-[(4-hexylbenzylidene)amino]benzonitrile,4-[(4-hexylbenzylidene)amino]benzonitrile,CCCCCCc2ccc(C=Nc1ccc(cc1)C#N)cc2,CCCCCCc2ccc(C=Nc1ccc(cc1)C#N)cc2,"InChI=1/C20H22N2/c1-2-3-4-5-6-17-7-9-19(10-8-17)16-22-20-13-11-18(15-21)12-14-20/h7-14,16H,2-6H2,1H3",C20H22N2,,,,,,MOXOWUJNSDTVNT-UHFFFAOYSA-N,,,,,,,,,,,
100.049.154,254-088-2,38690-93-6,Ethyl (1R-trans)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate,CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c2ccccc2,CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c2ccccc2,"InChI=1/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3",C17H23NO2,,,,,,WDEFBBTXULIOBB-DOTOQJQBSA-N,,,,,,,,,,,
100.049.155,254-089-8,38692-80-7,3-bromo-4-hydroxyphenylacetic acid,(3-bromo-4-hydroxyphenyl)acetic acid,OC(=O)Cc1ccc(O)c(Br)c1,OC(=O)Cc1ccc(O)c(Br)c1,"InChI=1/C8H7BrO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)",C8H7BrO3,,,,,,BFVCOQXPSXVGPS-UHFFFAOYSA-N,,,,,,,,,,,
100.049.158,254-092-4,38703-31-0,"N-oleoyl-DL-methionine, monoester with glycerol","2,3-dihydroxypropyl N-oleoylmethioninate",CCCCCCCCC=CCCCCCCCC(=O)NC(CCSC)C(=O)OCC(O)CO,CCCCCCCCC=CCCCCCCCC(=O)NC(CCSC)C(=O)OCC(O)CO,"InChI=1/C26H49NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30)27-24(19-20-33-2)26(31)32-22-23(29)21-28/h10-11,23-24,28-29H,3-9,12-22H2,1-2H3,(H,27,30)",C26H49NO5S,,,,,,MIPMHBSDMSPZPK-UHFFFAOYSA-N,,,,,,,,,,,
100.049.176,254-112-1,38736-16-2,"2-(4-methoxyphenyl)-5-(1-naphthyl)-1,3,4-oxadiazole","2-(4-methoxyphenyl)-5-(1-naphthyl)-1,3,4-oxadiazole",COc1ccc(cc1)c2oc(nn2)c3cccc4ccccc34,COc1ccc(cc1)c2oc(nn2)c3cccc4ccccc34,"InChI=1/C19H14N2O2/c1-22-15-11-9-14(10-12-15)18-20-21-19(23-18)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3",C19H14N2O2,,,,,,COEYQIOPXLXUKH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.178,254-114-2,38748-96-8,"(1a,3a,4ß,6a)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",C[C@H]1C[C@@H]2[C@H](C[C@@H]1O)C2(C)C,C[C@H]1C[C@@H]2[C@H](C[C@@H]1O)C2(C)C,"InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3",C10H18O,,,,,,WHXOMZVLSNHION-KZVJFYERSA-N,,,,,,,,,,,
100.049.181,254-117-9,38758-15-5,2-[[[(1-methylethyl)amino]sulphonyl]amino]benzoic acid,2-[(isopropylsulfamoyl)amino]benzoic acid,CC(C)NS(=O)(=O)Nc1ccccc1C(=O)O,CC(C)NS(=O)(=O)Nc1ccccc1C(=O)O,"InChI=1/C10H14N2O4S/c1-7(2)11-17(15,16)12-9-6-4-3-5-8(9)10(13)14/h3-7,11-12H,1-2H3,(H,13,14)",C10H14N2O4S,,,,,,QYNUKEJTUODYDD-UHFFFAOYSA-N,,,,,,,,,,,
100.049.182,254-118-4,38762-41-3,4-bromo-2-chloroaniline,4-bromo-2-chloroaniline,Nc1ccc(Br)cc1Cl,Nc1ccc(Br)cc1Cl,"InChI=1/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",C6H5BrClN,,,,,,INMZDDDQLHKGPF-UHFFFAOYSA-N,,,,,,,,,,,
100.049.184,254-121-0,38775-22-3,"2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulphonic) acid","2,2'-(biphenyl-4,4'-diyldiethene-2,1-diyl)dibenzenesulfonic acid",OS(=O)(=O)c1ccccc1C=Cc2ccc(cc2)c3ccc(C=Cc4ccccc4S(=O)(=O)O)cc3,OS(=O)(=O)c1ccccc1C=Cc2ccc(cc2)c3ccc(C=Cc4ccccc4S(=O)(=O)O)cc3,"InChI=1/C28H22O6S2/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34/h1-20H,(H,29,30,31)(H,32,33,34)",C28H22O6S2,,,,,,SQAKQVFOMMLRPR-UHFFFAOYSA-N,,,,,,,,,,,
100.074.325,281-783-8,84030-13-7,"(±)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol hydrobromide","1-(3,4-dihydroxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol",CN1CCc2cc(O)c(O)cc2C1Cc3ccc(O)c(O)c3,CN1CCc2cc(O)c(O)cc2C1Cc3ccc(O)c(O)c3,"InChI=1/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3",C17H19NO4.BrH,,,,,,VHRSWCTVFBWHKE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.532,268-806-7,68140-55-6,3-methylphenyl hexanoate,3-methylphenyl hexanoate,CCCCCC(=O)Oc1cccc(C)c1,CCCCCC(=O)Oc1cccc(C)c1,"InChI=1/C13H18O2/c1-3-4-5-9-13(14)15-12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3",C13H18O2,,,,,,KFAYELJEHIGXQO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.302,275-155-2,71046-96-3,"Heptadeca-1,8,11,14-tetraene","heptadeca-1,8,11,14-tetraene",CCC=CCC=CCC=CCCCCCC=C,CCC=CCC=CCC=CCCCCCC=C,"InChI=1/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3",C17H28,,,,,,JXRNMQDTJAQLAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.306,275-159-4,71066-97-2,Diphenylethanedione [O-(ethoxycarbonyl)oxime],"1,2-diphenylethane-1,2-dione O-(ethoxycarbonyl)oxime",CCOC(=O)ON=C(C(=O)c1ccccc1)c2ccccc2,CCOC(=O)ON=C(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C17H15NO4/c1-2-21-17(20)22-18-15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12H,2H2,1H3",C17H15NO4,,,,,,OCLNYWSLIPQUJX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.319,275-174-6,71077-31-1,"4,8-dimethyl-4,9-decadienal","4,8-dimethyldeca-4,9-dienal",C=CC(C)CCC=C(C)CCC=O,C=CC(C)CCC=C(C)CCC=O,"InChI=1/C12H20O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h4,8,10-11H,1,5-7,9H2,2-3H3",C12H20O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17457,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.319,QVEOSYKPYFNQAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.324,275-179-3,71077-37-7,"4-(2-methoxyethoxy)benzene-1,3-diamine","4-(2-methoxyethoxy)benzene-1,3-diamine",COCCOc1ccc(N)cc1N,COCCOc1ccc(N)cc1N,"InChI=1/C9H14N2O2/c1-12-4-5-13-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,10-11H2,1H3",C9H14N2O2,,,,,,ZNBTUAAPXSCFBS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.332,275-188-2,71093-01-1,"5-[[4-[bis(2-hydroxyethyl)amino]phenyl]imino]-1-ethyl-1,2,5,6-tetrahydro-4-methyl-2,6-dioxonicotinonitrile","5-({4-[bis(2-hydroxyethyl)amino]phenyl}imino)-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile",O=C2C(=Nc1ccc(cc1)N(CCO)CCO)C(/C)=C(/C#N)C(=O)N2CC,O=C2C(=Nc1ccc(cc1)N(CCO)CCO)C(/C)=C(/C#N)C(=O)N2CC,"InChI=1/C19H22N4O4/c1-3-23-18(26)16(12-20)13(2)17(19(23)27)21-14-4-6-15(7-5-14)22(8-10-24)9-11-25/h4-7,24-25H,3,8-11H2,1-2H3",C19H22N4O4,,,,,,APJGETPRJOQUPF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.335,275-191-9,71097-53-5,4-(5-methyl-2-furyl)pentan-2-one,4-(5-methyl-2-furyl)pentan-2-one,CC(CC(=O)C)c1oc(C)cc1,CC(CC(=O)C)c1oc(C)cc1,"InChI=1/C10H14O2/c1-7(6-8(2)11)10-5-4-9(3)12-10/h4-5,7H,6H2,1-3H3",C10H14O2,,,,,,SNCJRRZMGMKMBW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.337,275-194-5,71106-52-0,3-[3-[(aminobenzyl)phenyl]ureido]methylphenyl isocyanate,1-[2-(2-aminobenzyl)phenyl]-3-(3-isocyanatobenzyl)urea,Nc1ccccc1Cc2ccccc2NC(=O)NCc3cccc(c3)N=C=O,Nc1ccccc1Cc2ccccc2NC(=O)NCc3cccc(c3)N=C=O,"InChI=1/C22H20N4O2/c23-20-10-3-1-7-17(20)13-18-8-2-4-11-21(18)26-22(28)24-14-16-6-5-9-19(12-16)25-15-27/h1-12H,13-14,23H2,(H2,24,26,28)",C22H20N4O2,,,,,,ZPSBWDSKPYHONW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.338,275-195-0,71107-19-2,2-oxo-5-vinylpyrrolidine-3-carboxamide,2-oxo-5-vinylpyrrolidine-3-carboxamide,NC(=O)C1CC(NC1=O)C=C,NC(=O)C1CC(NC1=O)C=C,"InChI=1/C7H10N2O2/c1-2-4-3-5(6(8)10)7(11)9-4/h2,4-5H,1,3H2,(H2,8,10)(H,9,11)",C7H10N2O2,,,,,,XHRGUQBJMOCCMF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.413,279-678-7,81043-56-3,"3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one","3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=CN2C(=O)C(=C(C)N=C2C=C1)CCN3CCC(CC3)C(=O)c4ccc(F)cc4,CC1=CN2C(=O)C(=C(C)N=C2C=C1)CCN3CCC(CC3)C(=O)c4ccc(F)cc4,"InChI=1/C24H26FN3O2/c1-16-3-8-22-26-17(2)21(24(30)28(22)15-16)11-14-27-12-9-19(10-13-27)23(29)18-4-6-20(25)7-5-18/h3-8,15,19H,9-14H2,1-2H3",C24H26FN3O2,,,,,,AXQRPYKSPHUOGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.414,279-679-2,81050-08-0,"Dipropyl 2,2'-dithiobisbenzoate","dipropyl 2,2'-disulfanediyldibenzoate",CCCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCCC,CCCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCCC,"InChI=1/C20H22O4S2/c1-3-13-23-19(21)15-9-5-7-11-17(15)25-26-18-12-8-6-10-16(18)20(22)24-14-4-2/h5-12H,3-4,13-14H2,1-2H3",C20H22O4S2,,,,,,HPBZTACBXGMLBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.426,279-692-3,81124-62-1,"2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide","2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide",CC1(O)CC(=O)NC(C)(O)C1C(=O)N,CC1(O)CC(=O)NC(C)(O)C1C(=O)N,"InChI=1/C8H14N2O4/c1-7(13)3-4(11)10-8(2,14)5(7)6(9)12/h5,13-14H,3H2,1-2H3,(H2,9,12)(H,10,11)",C8H14N2O4,,,,,,OZXMSSBJQZYMRO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.432,279-699-1,81173-67-3,"4-[[(2-cyanoethyl)phenylhydrazono]methyl]-N,N,N-trimethylanilinium methyl sulphate","4-[(2-cyanoethyl)(phenyl)carbonohydrazonoyl]-N,N,N-trimethylanilinium methyl sulfate",[O-]S(=O)(=O)OC.C[N+](C)(C)c2ccc(C=NN(CCC#N)c1ccccc1)cc2,[O-]S(=O)(=O)OC.C[N+](C)(C)c2ccc(C=NN(CCC#N)c1ccccc1)cc2,"InChI=1/C19H23N4.CH4O4S/c1-23(2,3)19-12-10-17(11-13-19)16-21-22(15-7-14-20)18-8-5-4-6-9-18;1-5-6(2,3)4/h4-6,8-13,16H,7,15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C19H23N4.CH3O4S,,,,,,SZMQCJUVVVQJLO-UHFFFAOYSA-M,,,,,,,,,,,
100.072.036,279-264-6,79792-96-4,o-(propylsulphonyl)benzenesulphonamide,2-(propylsulfonyl)benzenesulfonamide,CCCS(=O)(=O)c1ccccc1S(=O)(=O)N,CCCS(=O)(=O)c1ccccc1S(=O)(=O)N,"InChI=1/C9H13NO4S2/c1-2-7-15(11,12)8-5-3-4-6-9(8)16(10,13)14/h3-6H,2,7H2,1H3,(H2,10,13,14)",C9H13NO4S2,,,,,,IVWZZQBPALNKLG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.041,279-269-3,79793-02-5,"Methyl o-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulphonyl]benzoate, monosodium salt",-,[Na+].COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2,[Na+].COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2,"InChI=1/C15H16N4O5S.Na/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3;/h4-8H,1-3H3,(H2,16,17,18,19,21);/q;+1",C15H16N4O5S.Na,,,,,,PDQIJJAIZMIKTI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.178,282-722-8,84332-93-4,N2-benzoyl-O-methyl-L-arginine hydrogen carbonate,carbonic acid - methyl N~2~-benzoyl-D-argininate (1:1),COC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1.OC(=O)O,COC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1.OC(=O)O,"InChI=1/C14H20N4O3.CH2O3/c1-21-13(20)11(8-5-9-17-14(15)16)18-12(19)10-6-3-2-4-7-10;2-1(3)4/h2-4,6-7,11H,5,8-9H2,1H3,(H,18,19)(H4,15,16,17);(H2,2,3,4)",C14H20N4O3.CH2O3,,,,,,JYDGTEAWFBDILR-MERQFXBCSA-N,,,,,,,,,,,
100.075.179,282-723-3,84332-94-5,Diethylammonium 5-hydroxy-1H-indole-3-acetate,N-ethylethanaminium (5-hydroxy-1H-indol-3-yl)acetate,CC[NH2+]CC.Oc1ccc2[nH]cc(CC(=O)[O-])c2c1,CC[NH2+]CC.Oc1ccc2[nH]cc(CC(=O)[O-])c2c1,"InChI=1/C10H9NO3.C4H11N/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14;1-3-5-4-2/h1-2,4-5,11-12H,3H2,(H,13,14);5H,3-4H2,1-2H3",C10H9NO3.C4H11N,,,,,,KKOLPWAHCOUOMP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.180,282-724-9,84332-95-6,"Tridodecyl 2,2',2''-[(octylstannylidyne)tris(thio)]triacetate","dodecyl 4-{[2-(dodecyloxy)-2-oxoethyl]sulfanyl}-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosan-1-oate",CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC,"InChI=1/3C14H28O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-5-7-8-6-4-2;/h3*17H,2-13H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC50H98O6S3Sn/c1-5-9-13-17-21-24-27-30-33-37-41-54-48(51)45-57-60(44-40-36-20-16-12-8-4,58-46-49(52)55-42-38-34-31-28-25-22-18-14-10-6-2)59-47-50(53)56-43-39-35-32-29-26-23-19-15-11-7-3/h5-47H2,1-4H3",C50H98O6S3Sn,,,,,,BQNOOSPILDHFSI-UHFFFAOYSA-K,,,,,,,,,,,
100.075.185,282-730-1,84341-97-9,N-benzyl-2-[[3-chloro-4-(diethylamino)phenyl]azo]-3-oxobutyramide,N-benzyl-2-{[3-chloro-4-(diethylamino)phenyl]diazenyl}-3-oxobutanamide,Clc1cc(ccc1N(CC)CC)N=NC(C(C)=O)C(=O)NCc2ccccc2,Clc1cc(ccc1N(CC)CC)N=NC(C(C)=O)C(=O)NCc2ccccc2,"InChI=1/C21H25ClN4O2/c1-4-26(5-2)19-12-11-17(13-18(19)22)24-25-20(15(3)27)21(28)23-14-16-9-7-6-8-10-16/h6-13,20H,4-5,14H2,1-3H3,(H,23,28)",C21H25ClN4O2,,,,,,DMOJCVGCXIKKJL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.941,281-360-8,83929-67-3,"4-[(2,3-dihydro-3-oxo-1H-indazol-6-yl)amino]-3-[(2-methylpropionyl)octadecylamino]-4-oxobutyric acid","N~2~-isobutyryl-N~2~-octadecyl-N-(3-oxo-2,3-dihydro-1H-indazol-6-yl)-alpha-asparagine",CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)Nc1ccc2C(=O)NNc2c1)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)Nc1ccc2C(=O)NNc2c1)C(=O)C(C)C,"InChI=1/C33H54N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37(33(42)25(2)3)29(24-30(38)39)32(41)34-26-20-21-27-28(23-26)35-36-31(27)40/h20-21,23,25,29H,4-19,22,24H2,1-3H3,(H,34,41)(H,38,39)(H2,35,36,40)",C33H54N4O5,,,,,,MLVDGWWNFLFGFG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.955,281-376-5,83929-95-7,Manganese(2+) disulphamate,manganese(2+) disulfamate,[Mn+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Mn+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/Mn.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",H3NO3S.1/2Mn,,,,,,KEXSCPNGYFGPFU-UHFFFAOYSA-L,,,,,,,,,,,
100.073.956,281-377-0,83930-03-4,"Disodium 6-methyl-2'-[4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]-NNO-azoxy]phenyl][2,6'-bibenzothiazole]-7-sulphonate","disodium 6-methyl-2'-(4-{[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]-NNO-azoxy}phenyl)-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc(cc3)N=[N+]([O-])c4ccc(cc4)c5nc6ccc(cc6s5)c7nc8ccc(C)c(c8s7)S(=O)(=O)[O-],[Na+].[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc(cc3)N=[N+]([O-])c4ccc(cc4)c5nc6ccc(cc6s5)c7nc8ccc(C)c(c8s7)S(=O)(=O)[O-],"InChI=1/C35H23N5O7S5.2Na/c1-18-3-14-26-29(31(18)51(42,43)44)49-34(37-26)20-5-10-23(11-6-20)39-40(41)24-12-7-21(8-13-24)33-36-25-16-9-22(17-28(25)48-33)35-38-27-15-4-19(2)32(30(27)50-35)52(45,46)47;;/h3-17H,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C35H23N5O7S5.2Na,,,,,,GTWIXFILJDQQAE-UHFFFAOYSA-L,,,,,,,,,,,
100.073.972,281-394-3,83949-35-3,"a-cyclopropyl-3,4-dimethylbenzyl alcohol","cyclopropyl(3,4-dimethylphenyl)methanol",Cc1ccc(cc1C)C(O)C2CC2,Cc1ccc(cc1C)C(O)C2CC2,"InChI=1/C12H16O/c1-8-3-4-11(7-9(8)2)12(13)10-5-6-10/h3-4,7,10,12-13H,5-6H2,1-2H3",C12H16O,,,,,,NSHXDLNNWOMQPK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.973,281-395-9,83949-36-4,4-(3-chloro-1-ethoxypropyl)toluene,1-(3-chloro-1-ethoxypropyl)-4-methylbenzene,CCOC(CCCl)c1ccc(C)cc1,CCOC(CCCl)c1ccc(C)cc1,"InChI=1/C12H17ClO/c1-3-14-12(8-9-13)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3",C12H17ClO,,,,,,NDNQMUPOOPOMJK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.976,281-399-0,83949-39-7,4-(ammoniomethyl)-4-phenylpiperidinium dichloride,4-(ammoniomethyl)-4-phenylpiperidinium dichloride,[Cl-].[Cl-].[NH3+]CC1(CC[NH2+]CC1)c2ccccc2,[Cl-].[Cl-].[NH3+]CC1(CC[NH2+]CC1)c2ccccc2,"InChI=1/C12H18N2.2ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;;/h1-5,14H,6-10,13H2;2*1H",C12H18N2.2ClH,,,,,,IZORKFZKKHEUJM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.619,279-904-4,82137-75-5,5-(p-isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate,"1,3-diisocyanato-5-(4-isocyanatobenzyl)-2-methylbenzene",Cc1c(cc(Cc2ccc(cc2)N=C=O)cc1N=C=O)N=C=O,Cc1c(cc(Cc2ccc(cc2)N=C=O)cc1N=C=O)N=C=O,"InChI=1/C17H11N3O3/c1-12-16(19-10-22)7-14(8-17(12)20-11-23)6-13-2-4-15(5-3-13)18-9-21/h2-5,7-8H,6H2,1H3",C17H11N3O3,,,,,,PBJBHJNMKUPYFP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.623,279-909-1,82151-48-2,5-(p-isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate,"1,5-diisocyanato-3-(4-isocyanatobenzyl)-2-methylbenzene",Cc1c(Cc2ccc(cc2)N=C=O)cc(cc1N=C=O)N=C=O,Cc1c(Cc2ccc(cc2)N=C=O)cc(cc1N=C=O)N=C=O,"InChI=1/C17H11N3O3/c1-12-14(6-13-2-4-15(5-3-13)18-9-21)7-16(19-10-22)8-17(12)20-11-23/h2-5,7-8H,6H2,1H3",C17H11N3O3,,,,,,SYQQCHZXVXQPIS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.251,281-702-6,84012-61-3,2-chloro-N-(4-chlorophenyl)-N-(1-methylethyl)acetamide,2-chloro-N-(4-chlorophenyl)-N-isopropylacetamide,CC(C)N(C(=O)CCl)c1ccc(Cl)cc1,CC(C)N(C(=O)CCl)c1ccc(Cl)cc1,"InChI=1/C11H13Cl2NO/c1-8(2)14(11(15)7-12)10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3",C11H13Cl2NO,,,,,,VFRXXMHBPOPQKB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.252,281-703-1,84012-62-4,"2,10-dimethylundecan-6-one","2,10-dimethylundecan-6-one",CC(C)CCCC(=O)CCCC(C)C,CC(C)CCCC(=O)CCCC(C)C,"InChI=1/C13H26O/c1-11(2)7-5-9-13(14)10-6-8-12(3)4/h11-12H,5-10H2,1-4H3",C13H26O,,,,,,GEDUSQFJZAKUOH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.256,281-707-3,84012-66-8,"Butyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate","butyl 6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dien-1-oate",CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)\\C=C/C(=O)OCCCC)OC(=O)\\C=C/C(=O)OCCCC,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)\C=C/C(=O)OCCCC)OC(=O)\C=C/C(=O)OCCCC,"InChI=1/2C12H25.2C8H12O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-3-6-12-8(11)5-4-7(9)10;/h2*1,3-12H2,2H3;2*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;;+2/p-2/rC40H72O8Sn/c1-5-9-13-15-17-19-21-23-25-27-35-49(36-28-26-24-22-20-18-16-14-10-6-2,47-39(43)31-29-37(41)45-33-11-7-3)48-40(44)32-30-38(42)46-34-12-8-4/h29-32H,5-28,33-36H2,1-4H3",C40H72O8Sn,,,,,,OWBJOBPQBKLHSD-CTQQQIPUSA-L,,,,,,,,,,,
100.074.262,281-714-1,84029-40-3,o-[[(tributylstannyl)oxy]carbonyl]phenyl acetate,2-{[(tributylstannyl)oxy]carbonyl}phenyl acetate,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1OC(=O)C,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1OC(=O)C,"InChI=1/C9H8O4.3C4H9.Sn/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;3*1-3-4-2;/h2-5H,1H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC21H34O4Sn/c1-5-8-15-26(16-9-6-2,17-10-7-3)25-21(23)19-13-11-12-14-20(19)24-18(4)22/h11-14H,5-10,15-17H2,1-4H3",C21H34O4Sn,,,,,,ZUWWEGWEUMHGLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.269,281-722-5,84029-49-2,Sodium N-(3-aminobenzoyl)sulphanilate,sodium 4-[(3-aminobenzoyl)amino]benzenesulfonate,[Na+].Nc1cccc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)[O-],[Na+].Nc1cccc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C13H12N2O4S.Na/c14-10-3-1-2-9(8-10)13(16)15-11-4-6-12(7-5-11)20(17,18)19;/h1-8H,14H2,(H,15,16)(H,17,18,19);/q;+1/p-1",C13H12N2O4S.Na,,,,,,UTCOEJNQMPBYKD-UHFFFAOYSA-M,,,,,,,,,,,
100.074.270,281-723-0,84029-50-5,[[2-(aminocarbonyl)-5-ethoxyphenyl]thio]acetic acid,[(2-carbamoyl-5-ethoxyphenyl)sulfanyl]acetic acid,CCOc1ccc(C(=O)N)c(SCC(=O)O)c1,CCOc1ccc(C(=O)N)c(SCC(=O)O)c1,"InChI=1/C11H13NO4S/c1-2-16-7-3-4-8(11(12)15)9(5-7)17-6-10(13)14/h3-5H,2,6H2,1H3,(H2,12,15)(H,13,14)",C11H13NO4S,,,,,,XETNLDWLMNXRIA-UHFFFAOYSA-N,,,,,,,,,,,
100.074.280,281-734-0,84029-65-2,1-(tert-butyl)-2-methylnaphthalene,1-tert-butyl-2-methylnaphthalene,Cc1ccc2ccccc2c1C(C)(C)C,Cc1ccc2ccccc2c1C(C)(C)C,"InChI=1/C15H18/c1-11-9-10-12-7-5-6-8-13(12)14(11)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,BJELQEPUDLVNES-UHFFFAOYSA-N,,,,,,,,,,,
100.074.281,281-735-6,84029-66-3,2-(tert-butyl)-3-methylnaphthalene,2-tert-butyl-3-methylnaphthalene,Cc1cc2ccccc2cc1C(C)(C)C,Cc1cc2ccccc2cc1C(C)(C)C,"InChI=1/C15H18/c1-11-9-12-7-5-6-8-13(12)10-14(11)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,KOEPXIJKHPCNGF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.285,281-739-8,84029-70-9,2-(tert-butyl)-7-methylnaphthalene,2-tert-butyl-7-methylnaphthalene,Cc1ccc2ccc(cc2c1)C(C)(C)C,Cc1ccc2ccc(cc2c1)C(C)(C)C,"InChI=1/C15H18/c1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11/h5-10H,1-4H3",C15H18,,,,,,LJZSHZVAJVCKAD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.262,275-111-2,71002-27-2,"Bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) (1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl phosphite","bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) 1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-ylmethyl phosphite",C(OP(OCC1CC2CC1C=C2)OCC3CC4CC3C5C6CC(C=C6)C45)C7CC8CC7C=C8,C(OP(OCC1CC2CC1C=C2)OCC3CC4CC3C5C6CC(C=C6)C45)C7CC8CC7C=C8,"InChI=1/C29H39O3P/c1-3-19-7-17(1)9-24(19)14-30-33(31-15-25-10-18-2-4-20(25)8-18)32-16-26-12-23-13-27(26)29-22-6-5-21(11-22)28(23)29/h1-6,17-29H,7-16H2",C29H39O3P,,,,,,NIRGFKHWMBFGPY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.280,275-131-1,71022-43-0,"3,5-dinitrobenzyl alcohol","(3,5-dinitrophenyl)methanol",OCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],OCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2",C7H6N2O5,,,,,,GPHYIQCSMDYRGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.401,281-867-4,84045-66-9,"Trisodium 4-[[6-[[4-chloro-6-[(4-methoxy-2-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoate","trisodium 4-({6-[{4-chloro-6-[(4-methoxy-2-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)benzoate",[Na+].[Na+].[Na+].Clc2nc(Nc1ccc(OC)cc1S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(cc3)C([O-])=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc2nc(Nc1ccc(OC)cc1S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(cc3)C([O-])=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C28H22ClN7O10S2.3Na/c1-36(28-32-26(29)31-27(33-28)30-20-10-8-18(46-2)13-21(20)47(40,41)42)17-7-9-19-15(11-17)12-22(48(43,44)45)23(24(19)37)35-34-16-5-3-14(4-6-16)25(38)39;;;/h3-13,37H,1-2H3,(H,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33);;;/q;3*+1/p-3",C28H22ClN7O10S2.3Na,,,,,,RMMUIUVBLRDWSE-UHFFFAOYSA-K,,,,,,,,,,,
100.074.406,281-873-7,84051-84-3,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium thiocyanate","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium thiocyanate",[S-]C#N.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[S-]C#N.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H20Cl2N5O2.CHNS/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;2-1-3/h3-11,14-15H,2,12-13H2,1H3;3H/q+1;/p-1",C21H20Cl2N5O2.CNS,,,,,,SLSDMZJLAVZXLF-UHFFFAOYSA-M,,,,,,,,,,,
100.074.410,281-877-9,84051-88-7,2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium thiocyanate,"2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium thiocyanate",[S-]C#N.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[S-]C#N.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C19H23N4O2S.CHNS/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;2-1-3/h5-10,13,24H,4,11-12H2,1-3H3;3H/q+1;/p-1",C19H23N4O2S.CNS,,,,,,JDPRVPNHJBNERH-UHFFFAOYSA-M,,,,,,,,,,,
100.074.413,281-881-0,84051-91-2,"Trilithium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonate","trilithium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1,4-disulfonate",[Li+].[Li+].[Li+].[O-]S(=O)(=O)c4cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(cc4Nc3nc(Cl)nc(OC)n3)S([O-])(=O)=O,[Li+].[Li+].[Li+].[O-]S(=O)(=O)c4cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(cc4Nc3nc(Cl)nc(OC)n3)S([O-])(=O)=O,"InChI=1/C20H17ClN8O11S3.3Li/c1-9-16(17(30)29(28-9)10-3-5-11(6-4-10)41(31,32)33)27-26-13-8-14(42(34,35)36)12(7-15(13)43(37,38)39)22-19-23-18(21)24-20(25-19)40-2;;;/h3-8,16H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,22,23,24,25);;;/q;3*+1/p-3",C20H17ClN8O11S3.3Li,,,,,,GHAVRZBRBRRZFK-UHFFFAOYSA-K,,,,,,,,,,,
100.074.419,281-887-3,84057-69-2,"Bis[3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)","bis(3-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium) tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c1ccc(cc1)N=N\\C2=N\\[NH+](C)CN2C.CCN(CC)c1ccc(cc1)N=N\\C2=N\\[NH+](C)CN2C,Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C,"InChI=1/2C14H22N6.4ClH.Zn/c2*1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;;;;;/h2*7-10H,5-6,11H2,1-4H3;4*1H;/q;;;;;;+2/p-2/r2C14H22N6.Cl4Zn/c2*1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-5(2,3)4/h2*7-10H,5-6,11H2,1-4H3;/q;;-2/p+2",C14H21N6.1/2Cl4Zn,,,,,,ZGMGIZCIAPJBFY-UHFFFAOYSA-L,,,,,,,,,,,
100.074.425,281-894-1,84057-77-2,3-[bis(2-cyanoethyl)amino]phenoxazin-5-ium tetrachlorozincate (2:1),bis{3-[bis(2-cyanoethyl)amino]phenoxazin-5-ium} tetrachlorozincate(2-),Cl[Zn-2](Cl)(Cl)Cl.N#CCCN(CCC#N)c1ccc2nc3ccccc3[o+]c2c1.N#CCCN(CCC#N)c4ccc5nc6ccccc6[o+]c5c4,Cl[Zn-2](Cl)(Cl)Cl.N#CCCN(CCC#N)c1ccc2nc3ccccc3[o+]c2c1.N#CCCN(CCC#N)c4ccc5nc6ccccc6[o+]c5c4,"InChI=1/2C18H15N4O.4ClH.Zn/c2*19-9-3-11-22(12-4-10-20)14-7-8-16-18(13-14)23-17-6-2-1-5-15(17)21-16;;;;;/h2*1-2,5-8,13H,3-4,11-12H2;4*1H;/q2*+1;;;;;+2/p-4/r2C18H15N4O.Cl4Zn/c2*19-9-3-11-22(12-4-10-20)14-7-8-16-18(13-14)23-17-6-2-1-5-15(17)21-16;1-5(2,3)4/h2*1-2,5-8,13H,3-4,11-12H2;/q2*+1;-2",C18H15N4O.1/2Cl4Zn,,,,,,ZVDPHONKAIRWPP-UHFFFAOYSA-J,,,,,,,,,,,
100.074.426,281-895-7,84057-78-3,"Oxalic acid, ammonium zirconium salt",-,[NH4+].[Zr+2].[O-]C(=O)C(=O)[O-],[NH4+].[Zr+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.H3N.Zr/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H3;/q;;+2/p-1",C2H2O4.xH3N.xZr,,,,,,YHIOKACXVSJHLR-UHFFFAOYSA-M,,,,,,,,,,,
100.046.737,251-427-6,33249-27-3,Sodium diacetyl phosphate,sodium diacetyl phosphate,[Na+].CC(=O)OP(=O)([O-])OC(=O)C,[Na+].CC(=O)OP(=O)([O-])OC(=O)C,"InChI=1/C4H7O6P.Na/c1-3(5)9-11(7,8)10-4(2)6;/h1-2H3,(H,7,8);/q;+1/p-1",C4H7O6P.Na,,,,,,CLRKHNHDNSVNJG-UHFFFAOYSA-M,,,,,,,,,,,
100.046.739,251-429-7,33252-29-8,6-chloropyridine-2-carbonitrile,6-chloropyridine-2-carbonitrile,Clc1cccc(n1)C#N,Clc1cccc(n1)C#N,InChI=1/C6H3ClN2/c7-6-3-1-2-5(4-8)9-6/h1-3H,C6H3ClN2,,,,,,PGZHSVWXFKKCNR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.876,251-579-3,33581-25-8,"Sodium O,O-dicyclohexyl dithiophosphate","sodium O,O-dicyclohexyl dithiophosphate",[Na+].[S-]P(=S)(OC1CCCCC1)OC2CCCCC2,[Na+].[S-]P(=S)(OC1CCCCC1)OC2CCCCC2,"InChI=1/C12H23O2PS2.Na/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h11-12H,1-10H2,(H,16,17);/q;+1/p-1",C12H23O2PS2.Na,,,,,,BTDDXWJYTYAFQF-UHFFFAOYSA-M,,,,,,,,,,,
100.046.878,251-581-4,33587-20-1,"1-methylethane-1,2-diyl dipalmitate","propane-1,2-diyl dihexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3",C35H68O4,,,,,,UWTZRBLIYNMYTC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.434,279-701-0,81187-23-7,Ethyl 4-ethoxy-3-methoxyphenylacetate,ethyl (4-ethoxy-3-methoxyphenyl)acetate,CCOC(=O)Cc1ccc(OCC)c(OC)c1,CCOC(=O)Cc1ccc(OCC)c(OC)c1,"InChI=1/C13H18O4/c1-4-16-11-7-6-10(8-12(11)15-3)9-13(14)17-5-2/h6-8H,4-5,9H2,1-3H3",C13H18O4,,,,,,DQCZXRSORTVWEK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.439,279-706-8,81207-65-0,"4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2,2,2-trichloroethyl carbamate (1:1)","2,2,2-trichloroethyl carbamate - 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1:1)",CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.NC(=O)OCC(Cl)(Cl)Cl,CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.NC(=O)OCC(Cl)(Cl)Cl,"InChI=1/C13H17N3O.C3H4Cl3NO2/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;4-3(5,6)1-9-2(7)8/h5-9H,1-4H3;1H2,(H2,7,8)",C13H17N3O.C3H4Cl3NO2,,,,,,ONVPEZZSGOLJDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.441,279-708-9,81221-85-4,"1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)pent-4-en-1-one","1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)pent-4-en-1-one",CC1(C)C2CC=C(C12)C(=O)CCC=C,CC1(C)C2CC=C(C12)C(=O)CCC=C,"InChI=1/C13H18O/c1-4-5-6-11(14)9-7-8-10-12(9)13(10,2)3/h4,7,10,12H,1,5-6,8H2,2-3H3",C13H18O,,,,,,KDIUVWJESDSKRW-UHFFFAOYSA-N,,,,,,,,,,,
100.074.335,281-794-8,84030-23-9,Benzyl N-[N-[N-[(benzyloxy)carbonyl]-L-leucyl]glycyl]-L-leucinate,benzyl N-[(benzyloxy)carbonyl]-D-leucylglycyl-L-leucinate,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2,CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2,"InChI=1/C29H39N3O6/c1-20(2)15-24(32-29(36)38-19-23-13-9-6-10-14-23)27(34)30-17-26(33)31-25(16-21(3)4)28(35)37-18-22-11-7-5-8-12-22/h5-14,20-21,24-25H,15-19H2,1-4H3,(H,30,34)(H,31,33)(H,32,36)",C29H39N3O6,,,,,,KECPXLPOXOPMJF-DQEYMECFSA-N,,,,,,,,,,,
100.074.341,281-801-4,84030-29-5,Potassium octadecyl phosphonate,potassium octadecyl phosphonate,[K+].CCCCCCCCCCCCCCCCCCOP(=O)[O-],[K+].CCCCCCCCCCCCCCCCCCOP(=O)[O-],"InChI=1/C18H39O3P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h22H,2-18H2,1H3,(H,19,20);/q;+1/p-1",C18H39O3P.K,,,,,,TVQDNOCFIAWFJM-UHFFFAOYSA-M,,,,,,,,,,,
100.074.346,281-807-7,84030-34-2,"4-[[2-[(4-chloro-2-nitrophenyl)azo]-1,3-dioxobutyl]amino]benzenesulphonic acid",4-({2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxobutanoyl}amino)benzenesulfonic acid,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(cc1)S(O)(=O)=O)cc2)[N+]([O-])=O,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccc(cc1)S(O)(=O)=O)cc2)[N+]([O-])=O,"InChI=1/C16H13ClN4O7S/c1-9(22)15(20-19-13-7-2-10(17)8-14(13)21(24)25)16(23)18-11-3-5-12(6-4-11)29(26,27)28/h2-8,15H,1H3,(H,18,23)(H,26,27,28)",C16H13ClN4O7S,,,,,,WFQXPEDWIWMDBN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.354,281-816-6,84030-42-2,"Decyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate","decyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecan-1-oate",CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC,"InChI=1/2C12H24O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*15H,2-11H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC48H96O4S2Sn/c1-5-9-13-17-21-25-27-31-35-39-43-55(44-40-36-32-28-26-22-18-14-10-6-2,53-45-47(49)51-41-37-33-29-23-19-15-11-7-3)54-46-48(50)52-42-38-34-30-24-20-16-12-8-4/h5-46H2,1-4H3",C48H96O4S2Sn,,,,,,DSZRMMSYVNJDKA-UHFFFAOYSA-L,,,,,,,,,,,
100.074.355,281-817-1,84030-43-3,"Decyl 4-[[2-(decyloxy)-2-oxoethyl]thio]-4-dodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate","decyl 4-{[2-(decyloxy)-2-oxoethyl]sulfanyl}-4-dodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecan-1-oate",CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC,CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC,"InChI=1/3C12H24O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;1-3-5-7-9-11-12-10-8-6-4-2;/h3*15H,2-11H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC48H94O6S3Sn/c1-5-9-13-17-21-25-26-30-34-38-42-58(55-43-46(49)52-39-35-31-27-22-18-14-10-6-2,56-44-47(50)53-40-36-32-28-23-19-15-11-7-3)57-45-48(51)54-41-37-33-29-24-20-16-12-8-4/h5-45H2,1-4H3",C48H94O6S3Sn,,,,,,UMNKGEDHHPRECS-UHFFFAOYSA-K,,,,,,,,,,,
100.074.356,281-818-7,84030-44-4,"Decyl 4-[[2-(decyloxy)-2-oxoethyl]thio]-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate","decyl 4-{[2-(decyloxy)-2-oxoethyl]sulfanyl}-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecan-1-oate",CCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC,"InChI=1/3C12H24O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;1-3-5-7-8-6-4-2;/h3*15H,2-11H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC44H86O6S3Sn/c1-5-9-13-17-21-24-27-31-35-48-42(45)39-51-54(38-34-30-20-16-12-8-4,52-40-43(46)49-36-32-28-25-22-18-14-10-6-2)53-41-44(47)50-37-33-29-26-23-19-15-11-7-3/h5-41H2,1-4H3",C44H86O6S3Sn,,,,,,PSFINCGCUNIGHG-UHFFFAOYSA-K,,,,,,,,,,,
100.062.546,268-821-9,68140-99-8,"2,5-bis[(2-methylphenyl)amino]terephthalic acid","2,5-bis[(2-methylphenyl)amino]terephthalic acid",Cc1ccccc1Nc2cc(C(=O)O)c(Nc3ccccc3C)cc2C(=O)O,Cc1ccccc1Nc2cc(C(=O)O)c(Nc3ccccc3C)cc2C(=O)O,"InChI=1/C22H20N2O4/c1-13-7-3-5-9-17(13)23-19-11-16(22(27)28)20(12-15(19)21(25)26)24-18-10-6-4-8-14(18)2/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)",C22H20N2O4,,,,,,XJNWPYYRBAQKNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.977,281-400-4,83949-40-0,1-(3-methoxyphenyl)-2-methylpiperazine,1-(3-methoxyphenyl)-2-methylpiperazine,COc1cccc(c1)N2CCNCC2C,COc1cccc(c1)N2CCNCC2C,"InChI=1/C12H18N2O/c1-10-9-13-6-7-14(10)11-4-3-5-12(8-11)15-2/h3-5,8,10,13H,6-7,9H2,1-2H3",C12H18N2O,,,,,,VIUHJEYRGSUXOI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.052,279-281-9,79817-51-9,Sodium 5-(acetylamino)-2-nitrobenzoate,sodium 5-acetamido-2-nitrobenzoate,[Na+].CC(=O)Nc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-],[Na+].CC(=O)Nc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-],"InChI=1/C9H8N2O5.Na/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14;/h2-4H,1H3,(H,10,12)(H,13,14);/q;+1/p-1",C9H8N2O5.Na,,,,,,POQYVHDDPCHYCW-UHFFFAOYSA-M,,,,,,,,,,,
100.072.054,279-284-5,79817-53-1,3-(4-methyl-2-nitrophenoxy)propanesulphonic acid,3-(4-methyl-2-nitrophenoxy)propane-1-sulfonic acid,Cc1ccc(OCCCS(=O)(=O)O)c(c1)[N+](=O)[O-],Cc1ccc(OCCCS(=O)(=O)O)c(c1)[N+](=O)[O-],"InChI=1/C10H13NO6S/c1-8-3-4-10(9(7-8)11(12)13)17-5-2-6-18(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,14,15,16)",C10H13NO6S,,,,,,USOXFCZQOCMJEH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.059,279-289-2,79817-59-7,2-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid hydrochloride,2-{[(3-amino-4-hydroxyphenyl)sulfonyl]amino}benzoic acid hydrochloride,Cl.Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2C(=O)O,Cl.Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2C(=O)O,"InChI=1/C13H12N2O5S.ClH/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18;/h1-7,15-16H,14H2,(H,17,18);1H",C13H12N2O5S.ClH,,,,,,IKERGQZEJRYRFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.066,279-297-6,79817-66-6,"1,2,3,4-tetrahydro-1-nitronaphthalene","1-nitro-1,2,3,4-tetrahydronaphthalene",[O-][N+](=O)C1CCCc2ccccc12,[O-][N+](=O)C1CCCc2ccccc12,"InChI=1/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2",C10H11NO2,,,,,,USQUNNYHRYDWDE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.067,279-298-1,79817-67-7,"1-amino-2-[2-(2-methoxyethoxy)ethoxy]-4-[(2,4,6-trimethylphenyl)amino]anthraquinone","1-amino-4-(mesitylamino)-2-[2-(2-methoxyethoxy)ethoxy]-9,10-anthraquinone",COCCOCCOc1cc(Nc2c(C)cc(C)cc2C)c3C(=O)c4ccccc4C(=O)c3c1N,COCCOCCOc1cc(Nc2c(C)cc(C)cc2C)c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C28H30N2O5/c1-16-13-17(2)26(18(3)14-16)30-21-15-22(35-12-11-34-10-9-33-4)25(29)24-23(21)27(31)19-7-5-6-8-20(19)28(24)32/h5-8,13-15,30H,9-12,29H2,1-4H3",C28H30N2O5,,,,,,LAKNHEAPHMBKTO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.070,279-301-6,79817-70-2,"1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-1,3'-bipyridinium chloride","6'-hydroxy-3,4'-dimethyl-2'-oxo-1',2'-dihydro-1,3'-bipyridinium dichloride",[Cl-].[Cl-].CC1=C(C(=O)[NH2+]C(=C1)O)[n+]2cccc(C)c2,[Cl-].[Cl-].CC1=C(C(=O)[NH2+]C(=C1)O)[n+]2cccc(C)c2,"InChI=1/C12H12N2O2.2ClH/c1-8-4-3-5-14(7-8)11-9(2)6-10(15)13-12(11)16;;/h3-7H,1-2H3,(H-,13,15,16);2*1H",C12H13N2O2.Cl,,,,,,YEHJSTDOBKZCBV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.071,279-302-1,79817-71-3,"N-(5-chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine","N-(5-chloro-2,6-difluoropyrimidin-4-yl)benzene-1,3-diamine",Nc1cccc(Nc2nc(F)nc(F)c2Cl)c1,Nc1cccc(Nc2nc(F)nc(F)c2Cl)c1,"InChI=1/C10H7ClF2N4/c11-7-8(12)16-10(13)17-9(7)15-6-3-1-2-5(14)4-6/h1-4H,14H2,(H,15,16,17)",C10H7ClF2N4,,,,,,XLRVZZPXDZWHEP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.074,279-305-8,79817-74-6,N-[2-hydroxy-3-[(2-hydroxy-4-nitrophenyl)azo]-5-methylphenyl]acetamide,N-{2-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methylphenyl}acetamide,Oc2c(cc(C)cc2N=Nc1ccc(cc1O)[N+]([O-])=O)NC(C)=O,Oc2c(cc(C)cc2N=Nc1ccc(cc1O)[N+]([O-])=O)NC(C)=O,"InChI=1/C15H14N4O5/c1-8-5-12(16-9(2)20)15(22)13(6-8)18-17-11-4-3-10(19(23)24)7-14(11)21/h3-7,21-22H,1-2H3,(H,16,20)",C15H14N4O5,,,,,,LCXSDCUGFKKXKT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.078,279-310-5,79817-79-1,"Sodium 4-[[3-[(4-chloro-2-hydroxyphenyl)azo]-2,6-dihydroxyphenyl]azo]benzenesulphonate","sodium 4-({3-[(4-chloro-2-hydroxyphenyl)diazenyl]-2,6-dihydroxyphenyl}diazenyl)benzenesulfonate",[Na+].Clc3cc(O)c(N=Nc2ccc(O)c(N=Nc1ccc(cc1)S([O-])(=O)=O)c2O)cc3,[Na+].Clc3cc(O)c(N=Nc2ccc(O)c(N=Nc1ccc(cc1)S([O-])(=O)=O)c2O)cc3,"InChI=1/C18H13ClN4O6S.Na/c19-10-1-6-13(16(25)9-10)21-22-14-7-8-15(24)17(18(14)26)23-20-11-2-4-12(5-3-11)30(27,28)29;/h1-9,24-26H,(H,27,28,29);/q;+1/p-1",C18H13ClN4O6S.Na,,,,,,RSYCCYLBTHTJMH-UHFFFAOYSA-M,,,,,,,,,,,
100.075.196,282-742-7,84370-82-1,"1,3-propanediyl disalicylate","propane-1,3-diyl bis(2-hydroxybenzoate)",Oc1ccccc1C(=O)OCCCOC(=O)c2ccccc2O,Oc1ccccc1C(=O)OCCCOC(=O)c2ccccc2O,"InChI=1/C17H16O6/c18-14-8-3-1-6-12(14)16(20)22-10-5-11-23-17(21)13-7-2-4-9-15(13)19/h1-4,6-9,18-19H,5,10-11H2",C17H16O6,,,,,,RXRCNOIPYFJQPE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.199,282-745-3,84370-85-4,"Trisodium 2-propoxypropane-1,2,3-tricarboxylate","trisodium 2-propoxypropane-1,2,3-tricarboxylate",[Na+].[Na+].[Na+].CCCOC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].CCCOC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C9H14O7.3Na/c1-2-3-16-9(8(14)15,4-6(10)11)5-7(12)13;;;/h2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/p-3",C9H14O7.3Na,,,,,,MGDULFZSNSEMJZ-UHFFFAOYSA-K,,,,,,,,,,,
100.068.286,275-137-4,71032-97-8,Ethyl 2-cyano-3-[4-[ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]acrylate,ethyl 2-cyano-3-[4-(ethyl{2-[(phenylcarbamoyl)oxy]ethyl}amino)-2-methylphenyl]acrylate,CCOC(=O)\\C(=C/c1ccc(cc1C)N(CC)CCOC(=O)Nc2ccccc2)\\C#N,CCOC(=O)\C(=C/c1ccc(cc1C)N(CC)CCOC(=O)Nc2ccccc2)\C#N,"InChI=1/C24H27N3O4/c1-4-27(13-14-31-24(29)26-21-9-7-6-8-10-21)22-12-11-19(18(3)15-22)16-20(17-25)23(28)30-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,26,29)",C24H27N3O4,,,,,,ZADPHJPOPUEWIO-SILNSSARSA-N,,,,,,,,,,,
100.068.287,275-139-5,71032-99-0,"5',5'''-[ethylenebis(p-phenyleneazo)]bis[1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridinium] dilactate",-,O=C6[NH2+]C(\\O)=C(\\N=Nc4ccc(CCc3ccc(N=NC=2/C(/C)=C(/[n+]1ccccc1)C(=O)[NH2+]C=2O)cc3)cc4)C(\\C)=C6\\[n+]5ccccc5.[O-]C(=O)C(C)O.[O-]C(=O)C(C)O,O=C6[NH2+]C(\O)=C(\N=Nc4ccc(CCc3ccc(N=NC=2/C(/C)=C(/[n+]1ccccc1)C(=O)[NH2+]C=2O)cc3)cc4)C(\C)=C6\[n+]5ccccc5.[O-]C(=O)C(C)O.[O-]C(=O)C(C)O,"InChI=1/C36H30N8O4.2C3H6O3/c1-23-29(33(45)37-35(47)31(23)43-19-5-3-6-20-43)41-39-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)40-42-30-24(2)32(36(48)38-34(30)46)44-21-7-4-8-22-44;2*1-2(4)3(5)6/h3-8,11-22H,9-10H2,1-2H3,(H2-2,37,38,39,40,45,46,47,48);2*2,4H,1H3,(H,5,6)/p+2",C36H32N8O4.2C3H5O3,,,,,,KGNOTMWXMSVBKK-UHFFFAOYSA-P,,,,,,,,,,,
100.068.291,275-143-7,71033-08-4,"2,2'-[(1-methylethylidene)bis[4,1-phenyleneoxy[1-(butoxymethyl)ethylene]oxymethylene]]bisoxirane","2,2'-{propane-2,2-diylbis[4,1-phenyleneoxy(3-butoxypropane-2,1-diyl)oxymethylene]}dioxirane",CCCCOCC(COCC1CO1)Oc2ccc(cc2)C(C)(C)c3ccc(OC(COCCCC)COCC4CO4)cc3,CCCCOCC(COCC1CO1)Oc2ccc(cc2)C(C)(C)c3ccc(OC(COCCCC)COCC4CO4)cc3,"InChI=1/C35H52O8/c1-5-7-17-36-21-33(23-38-19-31-25-40-31)42-29-13-9-27(10-14-29)35(3,4)28-11-15-30(16-12-28)43-34(22-37-18-8-6-2)24-39-20-32-26-41-32/h9-16,31-34H,5-8,17-26H2,1-4H3",C35H52O8,,,,,,LDMNBPBFIVKSDS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.379,279-641-5,80986-28-3,Methyl 2-methyl-3-(methylthio)propionate,methyl 2-methyl-3-(methylsulfanyl)propanoate,COC(=O)C(C)CSC,COC(=O)C(C)CSC,"InChI=1/C6H12O2S/c1-5(4-9-3)6(7)8-2/h5H,4H2,1-3H3",C6H12O2S,,,,,,PGXGJIBNKHDXAH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.393,279-656-7,81012-95-5,"N-[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl]acetamide","N-[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl]acetamide",CC(=O)NC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,CC(=O)NC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,"InChI=1/C16H12Cl5NO/c1-10(23)22-15(16(19,20)21,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,22,23)",C16H12Cl5NO,,,,,,MCSLBZGLEIGWTI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.399,279-663-5,81028-93-5,"4-(ethoxycarbonyl)-3,5-dimethoxybenzoic acid","4-(ethoxycarbonyl)-3,5-dimethoxybenzoic acid",CCOC(=O)c1c(OC)cc(cc1OC)C(=O)O,CCOC(=O)c1c(OC)cc(cc1OC)C(=O)O,"InChI=1/C12H14O6/c1-4-18-12(15)10-8(16-2)5-7(11(13)14)6-9(10)17-3/h5-6H,4H2,1-3H3,(H,13,14)",C12H14O6,,,,,,VZUQFEJRUITTHS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.400,279-664-0,81028-94-6,"2,4-diamino-6-methylphenol dihydrochloride","2,4-diamino-6-methylphenol dihydrochloride",Cl.Cl.Cc1cc(N)cc(N)c1O,Cl.Cl.Cc1cc(N)cc(N)c1O,"InChI=1/C7H10N2O.2ClH/c1-4-2-5(8)3-6(9)7(4)10;;/h2-3,10H,8-9H2,1H3;2*1H",C7H10N2O.2ClH,,,,,,XSKWLJUTGZXSBC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.406,279-670-3,81029-00-7,N-[2-(diethylamino)ethyl]-4-ethoxybenzamide monohydrochloride,N-[2-(diethylamino)ethyl]-4-ethoxybenzamide hydrochloride,Cl.CCOc1ccc(cc1)C(=O)NCCN(CC)CC,Cl.CCOc1ccc(cc1)C(=O)NCCN(CC)CC,"InChI=1/C15H24N2O2.ClH/c1-4-17(5-2)12-11-16-15(18)13-7-9-14(10-8-13)19-6-3;/h7-10H,4-6,11-12H2,1-3H3,(H,16,18);1H",C15H24N2O2.ClH,,,,,,DBBNMTPWROZAFK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.290,281-745-0,84029-75-4,"Tetradecyl (Z,Z,Z)-6-butyl-6-[[1,4-dioxo-4-(tetradecyloxy)but-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate","tetradecyl 6-butyl-4,8,11-trioxo-6-{[4-oxo-4-(tetradecyloxy)but-2-enoyl]oxy}-5,7,12-trioxa-6-stannahexacosa-2,9-dien-1-oate",CCCCCCCCCCCCCCOC(=O)/C=C\\C(=O)O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCC,CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCC,"InChI=1/3C18H32O4.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-4H2,2H3;/q;;;;+3/p-3/rC58H102O12Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-49-65-53(59)43-46-56(62)68-71(52-12-8-4,69-57(63)47-44-54(60)66-50-41-38-35-32-29-26-23-20-17-14-10-6-2)70-58(64)48-45-55(61)67-51-42-39-36-33-30-27-24-21-18-15-11-7-3/h43-48H,5-42,49-52H2,1-4H3",C58H102O12Sn,,,,,,SIGMQEZAKTZEPF-POUCYOBESA-K,,,,,,,,,,,
100.074.292,281-747-1,84029-77-6,"Tetradecyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate","tetradecyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dien-1-oate",CCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCC,"InChI=1/2C18H32O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-5-7-8-6-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC52H96O8Sn/c1-5-9-13-17-21-23-25-27-29-31-33-37-45-57-49(53)41-43-51(55)59-61(47-39-35-19-15-11-7-3,48-40-36-20-16-12-8-4)60-52(56)44-42-50(54)58-46-38-34-32-30-28-26-24-22-18-14-10-6-2/h41-44H,5-40,45-48H2,1-4H3",C52H96O8Sn,,,,,,HXPRCVLFFFMBNP-POUCYOBESA-L,,,,,,,,,,,
100.046.886,251-590-3,33605-76-4,1-methyl N-(N-formyl-L-a-aspartyl)-3-phenyl-L-alaninate,methyl N-formyl-L-alpha-aspartylphenylalaninate,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC=O,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC=O,"InChI=1/C15H18N2O6/c1-23-15(22)12(7-10-5-3-2-4-6-10)17-14(21)11(16-9-18)8-13(19)20/h2-6,9,11-12H,7-8H2,1H3,(H,16,18)(H,17,21)(H,19,20)",C15H18N2O6,,,,,,OSEHTEQTVJQGDE-RYUDHWBXSA-N,,,,,,,,,,,
100.046.889,251-594-5,33609-19-7,3-ethyl-2-[3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]benzoselenazolium iodide,"3-ethyl-2-[3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-en-1-yl]-1,3-benzoselenazol-3-ium iodide",[I-].CCN3CCSC3=CC=Cc2[se]c1ccccc1[n+]2CC,[I-].CCN3CCSC3=CC=Cc2[se]c1ccccc1[n+]2CC,-,C17H21N2SSe.I,,,,,,VRVUZOUVSBQDFR-UHFFFAOYSA-M,,,,,,,,,,,
100.046.891,251-596-6,33611-48-2,3-[(3-pyridylmethyl)amino]propiononitrile,3-[(pyridin-3-ylmethyl)amino]propanenitrile,N#CCCNCc1cccnc1,N#CCCNCc1cccnc1,"InChI=1/C9H11N3/c10-4-2-6-12-8-9-3-1-5-11-7-9/h1,3,5,7,12H,2,6,8H2",C9H11N3,,,,,,QLXCYILNQJKHLM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.893,251-598-7,33619-92-0,"Sodium O,O-di-sec-butyl dithiophosphate","sodium O,O-di-tert-butyl dithiophosphate",CC(C)(C)OP(=S)(OC(C)(C)C)S[Na],CC(C)(C)OP(=S)(OC(C)(C)C)S[Na],"InChI=1/C8H19O2PS2.Na/c1-7(2,3)9-11(12,13)10-8(4,5)6;/h1-6H3,(H,12,13);/q;+1/p-1/rC8H18NaO2PS2/c1-7(2,3)10-12(13,14-9)11-8(4,5)6/h1-6H3",C8H19O2PS2.Na,,,,,,COOVFWBRUNWLSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.894,251-599-2,33622-41-2,3-(dimethylamino)-2-methylpropan-1-ol,3-(dimethylamino)-2-methylpropan-1-ol,CC(CO)CN(C)C,CC(CO)CN(C)C,"InChI=1/C6H15NO/c1-6(5-8)4-7(2)3/h6,8H,4-5H2,1-3H3",C6H15NO,,,,,,FZASHPCRPMSFEG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.897,251-602-7,33627-12-2,Lead dilinoleate,-,[Pb+2].[O-]C(=O)CCCCCCC/C=C\\C/C=C\\CCCCC.[O-]C(=O)CCCCCCC/C=C\\C/C=C\\CCCCC,[Pb+2].[O-]C(=O)CCCCCCC/C=C\C/C=C\CCCCC.[O-]C(=O)CCCCCCC/C=C\C/C=C\CCCCC,"InChI=1/2C18H32O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);;;/q;;+4;;/p-2/r2C18H32O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1H2/q;;+4/p-2",C18H32O2.1/2Pb,,,,,,DGTMIDXVFLADCI-GRVYQHKQSA-L,,,,,,,,,,,
100.070.498,277-570-4,73692-57-6,"5,6-diaminonaphthalene-1,3-disulphonic acid","5,6-diaminonaphthalene-1,3-disulfonic acid",Nc1ccc2c(cc(cc2c1N)S(=O)(=O)O)S(=O)(=O)O,Nc1ccc2c(cc(cc2c1N)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H10N2O6S2/c11-8-2-1-6-7(10(8)12)3-5(19(13,14)15)4-9(6)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)",C10H10N2O6S2,,,,,,KHEHRJJAWUJGDW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.625,277-710-4,74094-60-3,"2-butyl-4-methyl-1,3-dioxolane","2-butyl-4-methyl-1,3-dioxolane",CCCCC1OCC(C)O1,CCCCC1OCC(C)O1,"InChI=1/C8H16O2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3",C8H16O2,,,,,,WTZJUXYVLRJTMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.630,277-716-7,74113-46-5,Barium di(ethanesulphonate),barium diethanesulfonate,[Ba+2].CCS(=O)(=O)[O-].CCS(=O)(=O)[O-],[Ba+2].CCS(=O)(=O)[O-].CCS(=O)(=O)[O-],"InChI=1/2C2H6O3S.Ba/c2*1-2-6(3,4)5;/h2*2H2,1H3,(H,3,4,5);/q;;+2/p-2",C2H6O3S.1/2Ba,,,,,,SNRJTBPNYHAMIY-UHFFFAOYSA-L,,,,,,,,,,,
100.070.641,277-728-2,74115-24-5,"3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine","3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine",Clc1ccccc1c2nnc(nn2)c3ccccc3Cl,Clc1ccccc1c2nnc(nn2)c3ccccc3Cl,InChI=1/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,C14H8Cl2N4,,,,,,UXADOQPNKNTIHB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.651,277-739-2,74162-83-7,"Tetradecyl 4-octyl-7-oxo-4-[[2-oxo-2-(tetradecyloxy)ethyl]thio]-8-oxa-3,5-dithia-4-stannadocosanoate","tetradecyl 4-octyl-7-oxo-4-{[2-oxo-2-(tetradecyloxy)ethyl]sulfanyl}-8-oxa-3,5-dithia-4-stannadocosan-1-oate",CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,"InChI=1/3C16H32O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;1-3-5-7-8-6-4-2;/h3*19H,2-15H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC56H110O6S3Sn/c1-5-9-13-17-21-24-27-30-33-36-39-43-47-60-54(57)51-63-66(50-46-42-20-16-12-8-4,64-52-55(58)61-48-44-40-37-34-31-28-25-22-18-14-10-6-2)65-53-56(59)62-49-45-41-38-35-32-29-26-23-19-15-11-7-3/h5-53H2,1-4H3",C56H110O6S3Sn,,,,,,RMIMQTAMIKTZCC-UHFFFAOYSA-K,,,,,,,,,,,
100.070.662,277-751-8,74186-15-5,1-[[4-(phenylazo)phenyl]azo]-N-propylnaphthalen-2-amine,1-{[4-(phenyldiazenyl)phenyl]diazenyl}-N-propylnaphthalen-2-amine,CCCNc4ccc1ccccc1c4N=Nc3ccc(N=Nc2ccccc2)cc3,CCCNc4ccc1ccccc1c4N=Nc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C25H23N5/c1-2-18-26-24-17-12-19-8-6-7-11-23(19)25(24)30-29-22-15-13-21(14-16-22)28-27-20-9-4-3-5-10-20/h3-17,26H,2,18H2,1H3",C25H23N5,,,,,,XFXKYJLMUDUXNS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.549,268-825-0,68141-03-7,1-(1-methylpentadecyl)-4-phenoxybenzene,1-(1-methylpentadecyl)-4-phenoxybenzene,CCCCCCCCCCCCCCC(C)c1ccc(Oc2ccccc2)cc1,CCCCCCCCCCCCCCC(C)c1ccc(Oc2ccccc2)cc1,"InChI=1/C28H42O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-25(2)26-21-23-28(24-22-26)29-27-19-16-14-17-20-27/h14,16-17,19-25H,3-13,15,18H2,1-2H3",C28H42O,,,,,,ZKDMPXKVJFLUSA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.550,268-826-6,68141-04-8,"Stearic acid, compound with 1-dodecylpiperidine (1:1)",octadecanoic acid - 1-dodecylpiperidine (1:1),CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCN1CCCCC1,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCN1CCCCC1,"InChI=1/C18H36O2.C17H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h2-17H2,1H3,(H,19,20);2-17H2,1H3",C18H36O2.C17H35N,,,,,,JYEBFARECSAEKS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.561,268-838-1,68141-16-2,"4-hydroxy-3,6,10-trimethylundec-9-en-2-one","4-hydroxy-3,6,10-trimethylundec-9-en-2-one",CC(CCC=C(C)C)CC(O)C(C)C(=O)C,CC(CCC=C(C)C)CC(O)C(C)C(=O)C,"InChI=1/C14H26O2/c1-10(2)7-6-8-11(3)9-14(16)12(4)13(5)15/h7,11-12,14,16H,6,8-9H2,1-5H3",C14H26O2,,,,,,DBYVTQFXXWPQMN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.563,268-840-2,68141-18-4,"8,12-dimethyltridec-11-en-6-one","8,12-dimethyltridec-11-en-6-one",CCCCCC(=O)CC(C)CCC=C(C)C,CCCCCC(=O)CC(C)CCC=C(C)C,"InChI=1/C15H28O/c1-5-6-7-11-15(16)12-14(4)10-8-9-13(2)3/h9,14H,5-8,10-12H2,1-4H3",C15H28O,,,,,,YPCQEZZZPUSVEB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.564,268-841-8,68141-19-5,"10-hydroxy-3,6,10-trimethylundec-3-en-2-one","10-hydroxy-3,6,10-trimethylundec-3-en-2-one",CC(=O)C(C)=CCC(C)CCCC(C)(C)O,CC(=O)C(C)=CCC(C)CCCC(C)(C)O,"InChI=1/C14H26O2/c1-11(7-6-10-14(4,5)16)8-9-12(2)13(3)15/h9,11,16H,6-8,10H2,1-5H3",C14H26O2,,,,,,ZYZZYMDGACMDKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.567,268-844-4,68141-22-0,(E)-3-hexenyl salicylate,hex-3-en-1-yl salicylate,CC\\C=C\\CCOC(=O)c1ccccc1O,CC\C=C\CCOC(=O)c1ccccc1O,"InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3",C13H16O3,,,,,,IEPWIPZLLIOZLU-ONEGZZNKSA-N,,,,,,,,,,,
100.062.570,268-848-6,68141-25-3,3-phenylpropyl octanoate,3-phenylpropyl octanoate,CCCCCCCC(=O)OCCCc1ccccc1,CCCCCCCC(=O)OCCCc1ccccc1,"InChI=1/C17H26O2/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3",C17H26O2,,,,,,OZLRQNRZFQXBQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.572,268-850-7,68141-27-5,Heptyl undec-10-enoate,heptyl undec-10-enoate,CCCCCCCOC(=O)CCCCCCCCC=C,CCCCCCCOC(=O)CCCCCCCCC=C,"InChI=1/C18H34O2/c1-3-5-7-9-10-11-12-14-16-18(19)20-17-15-13-8-6-4-2/h3H,1,4-17H2,2H3",C18H34O2,,,,,,NLMOQNHZOQGLSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.575,268-853-3,68151-08-6,"1,2,3,6,7,8,11,12-octahydrobenzo[e]pyren-9(10H)-one","1,3,6,7,8,10,11,12-octahydrobenzo[e]pyren-9(2H)-one",O=C1CCCc2c3CCCc4ccc5CCCc(c12)c5c34,O=C1CCCc2c3CCCc4ccc5CCCc(c12)c5c34,"InChI=1/C20H20O/c21-17-9-3-7-15-14-6-1-4-12-10-11-13-5-2-8-16(20(15)17)19(13)18(12)14/h10-11H,1-9H2",C20H20O,,,,,,UIJOUFUKJPLQEK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.353,275-211-6,71130-49-9,(p-aminophenyl)diethylammonium toluene-4-sulphonate,"4-amino-N,N-diethylanilinium 4-methylbenzenesulfonate",CC[NH+](CC)c1ccc(N)cc1.Cc2ccc(cc2)S(=O)(=O)[O-],CC[NH+](CC)c1ccc(N)cc1.Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C10H16N2.C7H8O3S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,3-4,11H2,1-2H3;2-5H,1H3,(H,8,9,10)",C10H16N2.C7H8O3S,,,,,,LSNIJCHJIXRASO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.372,275-232-0,71172-46-8,a-methyl-a-(1-methylcyclopropyl)benzyl alcohol,1-(1-methylcyclopropyl)-1-phenylethanol,CC(O)(c1ccccc1)C2(C)CC2,CC(O)(c1ccccc1)C2(C)CC2,"InChI=1/C12H16O/c1-11(8-9-11)12(2,13)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3",C12H16O,,,,,,JKVXNQHAQDPGRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.374,275-234-1,71172-51-5,"Ethyl 2,6-dimethyl-4-morpholinepropionate","ethyl 3-(2,6-dimethylmorpholin-4-yl)propanoate",CCOC(=O)CCN1CC(C)OC(C)C1,CCOC(=O)CCN1CC(C)OC(C)C1,"InChI=1/C11H21NO3/c1-4-14-11(13)5-6-12-7-9(2)15-10(3)8-12/h9-10H,4-8H2,1-3H3",C11H21NO3,,,,,,PQHKGZQMAHHJTD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.378,269-738-0,68310-84-9,N-(cyclohexylthio)-N-phenylformamide,N-(cyclohexylsulfanyl)-N-phenylformamide,O=CN(SC1CCCCC1)c2ccccc2,O=CN(SC1CCCCC1)c2ccccc2,"InChI=1/C13H17NOS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2",C13H17NOS,,,,,,VDCATNYIULHPDO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.447,279-715-7,81265-18-1,Ethyl 4-(dichlorophenylmethyl)benzoate,ethyl 4-[dichloro(phenyl)methyl]benzoate,CCOC(=O)c1ccc(cc1)C(Cl)(Cl)c2ccccc2,CCOC(=O)c1ccc(cc1)C(Cl)(Cl)c2ccccc2,"InChI=1/C16H14Cl2O2/c1-2-20-15(19)12-8-10-14(11-9-12)16(17,18)13-6-4-3-5-7-13/h3-11H,2H2,1H3",C16H14Cl2O2,,,,,,IQBMDESYCONRBU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.449,279-717-8,81285-19-0,"Benzene-1,3,5-tricarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1)","benzene-1,3,5-tricarboxylic acid - 2-phenyl-4,5-dihydro-1H-imidazole (1:1)",OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O.C2CN=C(N2)c3ccccc3,OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O.C2CN=C(N2)c3ccccc3,"InChI=1/C9H10N2.C9H6O6/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-5H,6-7H2,(H,10,11);1-3H,(H,10,11)(H,12,13)(H,14,15)",C9H10N2.C9H6O6,,,,,,GFTQTSPNASGPJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.203,282-750-0,84373-12-6,"3',6'-bis[(2-ethyl-6-methylphenyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-bis[(2-ethyl-6-methylphenyl)amino]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCc1cccc(C)c1Nc2ccc3c(Oc4cc(Nc5c(C)cccc5CC)ccc4C36OC(=O)c7ccccc67)c2,CCc1cccc(C)c1Nc2ccc3c(Oc4cc(Nc5c(C)cccc5CC)ccc4C36OC(=O)c7ccccc67)c2,"InChI=1/C38H34N2O3/c1-5-25-13-9-11-23(3)35(25)39-27-17-19-31-33(21-27)42-34-22-28(40-36-24(4)12-10-14-26(36)6-2)18-20-32(34)38(31)30-16-8-7-15-29(30)37(41)43-38/h7-22,39-40H,5-6H2,1-4H3",C38H34N2O3,,,,,,QZLIQZIVVVPYRA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.983,281-407-2,83949-46-6,"Ammonium hydrogen 3-aminonaphthalene-2,7-disulphonate","ammonium hydrogen 3-aminonaphthalene-2,7-disulfonate",[NH4+].Nc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[NH4+].Nc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.H3N/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1H3/p-1",C10H9NO6S2.H3N,,,,,,YPEBHYAVZXWTNF-UHFFFAOYSA-M,,,,,,,,,,,
100.072.083,279-315-2,79820-01-2,Trimethyl[[(1-oxoallyl)amino]methyl]ammonium methyl sulphate,"(acryloylamino)-N,N,N-trimethylmethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CNC(=O)C=C,COS(=O)(=O)[O-].C[N+](C)(C)CNC(=O)C=C,"InChI=1/C7H14N2O.CH4O4S/c1-5-7(10)8-6-9(2,3)4;1-5-6(2,3)4/h5H,1,6H2,2-4H3;1H3,(H,2,3,4)",C7H15N2O.CH3O4S,,,,,,LCDMPDGHVYVCFL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.094,279-327-8,79863-58-4,4-dodecyl-4-ethylmorpholinium ethyl sulphate,4-dodecyl-4-ethylmorpholin-4-ium ethyl sulfate,CCCCCCCCCCCC[N+]1(CC)CCOCC1.CCOS(=O)(=O)[O-],CCCCCCCCCCCC[N+]1(CC)CCOCC1.CCOS(=O)(=O)[O-],"InChI=1/C18H38NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-19(4-2)15-17-20-18-16-19;1-2-6-7(3,4)5/h3-18H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C18H38NO.C2H5O4S,,,,,,LKOOBYVWGQQUQO-UHFFFAOYSA-M,,,,,,,,,,,
100.072.099,279-333-0,79893-19-9,Methyl 5-(acetylamino)-o-anisate,methyl 5-acetamido-2-methoxybenzoate,COC(=O)c1cc(NC(=O)C)ccc1OC,COC(=O)c1cc(NC(=O)C)ccc1OC,"InChI=1/C11H13NO4/c1-7(13)12-8-4-5-10(15-2)9(6-8)11(14)16-3/h4-6H,1-3H3,(H,12,13)",C11H13NO4,,,,,,OICCRSUCOIYODF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.101,279-335-1,79893-21-3,Methyl 5-amino-4-nitro-anisate,"methyl 3-amino-4-methoxy-4-nitrocyclohexa-2,5-diene-1-carboxylate",COC(=O)C1C=CC(OC)(C(=C1)N)[N+](=O)[O-],COC(=O)C1C=CC(OC)(C(=C1)N)[N+](=O)[O-],"InChI=1/C9H12N2O5/c1-15-8(12)6-3-4-9(16-2,11(13)14)7(10)5-6/h3-6H,10H2,1-2H3",C9H10N2O5,,,,,,DLHJAOMLDJUIBR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.105,279-339-3,79893-46-2,"(-)-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine","2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine",CCN1CCCC1CCOc2cc(Cl)cc(Cl)c2OC,CCN1CCCC1CCOc2cc(Cl)cc(Cl)c2OC,"InChI=1/C15H21Cl2NO2/c1-3-18-7-4-5-12(18)6-8-20-14-10-11(16)9-13(17)15(14)19-2/h9-10,12H,3-8H2,1-2H3",C15H21Cl2NO2,,,,,,DBARMDUSHJFUOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.109,279-344-0,79893-63-3,"6-ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene","6-ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene",CCC1=CCCC(C)(C)C12OC(C)C=C2,CCC1=CCCC(C)(C)C12OC(C)C=C2,"InChI=1/C14H22O/c1-5-12-7-6-9-13(3,4)14(12)10-8-11(2)15-14/h7-8,10-11H,5-6,9H2,1-4H3",C14H22O,,,,,,NHJSLVJXXDHDRV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.112,279-347-7,79915-69-8,[1-[bis(hydroxymethyl)amino]ethylidene]bisphosphonic acid,"{1-[bis(hydroxymethyl)amino]ethane-1,1-diyl}bis(phosphonic acid)",CC(N(CO)CO)(P(=O)(O)O)P(=O)(O)O,CC(N(CO)CO)(P(=O)(O)O)P(=O)(O)O,"InChI=1/C4H13NO8P2/c1-4(14(8,9)10,15(11,12)13)5(2-6)3-7/h6-7H,2-3H2,1H3,(H2,8,9,10)(H2,11,12,13)",C4H13NO8P2,,,,,,QXVJRDMNUOAUNI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.113,279-348-2,79915-74-5,2-isopropoxyethyl salicylate,2-isopropoxyethyl salicylate,CC(C)OCCOC(=O)c1ccccc1O,CC(C)OCCOC(=O)c1ccccc1O,"InChI=1/C12H16O4/c1-9(2)15-7-8-16-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",C12H16O4,,,,,,KFBPVHFUHYKWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.116,279-351-9,79922-11-5,"2-(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl stearate","2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)ethyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,CCCCCCCCCCCCCCCCCC(=O)OCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,"InChI=1/C33H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)36-25-24-33(5)23-22-29-28(4)31(35)26(2)27(3)32(29)37-33/h35H,6-25H2,1-5H3",C33H56O4,,,,,,HVIHEUQNVXCQBT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.249,282-800-1,84425-43-4,2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-(phenylazo)thiophene-3-carbonitrile,2-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-5-(phenyldiazenyl)thiophene-3-carbonitrile,CCN(CCC#N)c1ccc(cc1)N=Nc3sc(N=Nc2ccccc2)cc3C#N,CCN(CCC#N)c1ccc(cc1)N=Nc3sc(N=Nc2ccccc2)cc3C#N,"InChI=1/C22H19N7S/c1-2-29(14-6-13-23)20-11-9-19(10-12-20)26-28-22-17(16-24)15-21(30-22)27-25-18-7-4-3-5-8-18/h3-5,7-12,15H,2,6,14H2,1H3",C22H19N7S,,,,,,CUQJFZXXXTYBNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.651,283-243-7,84583-90-4,"Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, propanoate",2-[2-(2-hydroxyethoxy)ethoxy]ethyl propionate,CCC(=O)OCCOCCOCCO,CCC(=O)OCCOCCOCCO,"InChI=1/C9H18O5/c1-2-9(11)14-8-7-13-6-5-12-4-3-10/h10H,2-8H2,1H3",-,,,,,,CLDXGLBKECXSBG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.657,283-250-5,84593-27-1,"Phosphoric acid, 2-methylpropyl ester",isobutyl dihydrogen phosphate,CC(C)COP(=O)(O)O,CC(C)COP(=O)(O)O,"InChI=1/C4H11O4P/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)",-,,,,,,SVBLDLLXNRGMBG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.299,281-755-5,84029-84-5,"Benzene-1,2,4-tricarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:2)","benzene-1,2,4-tricarboxylic acid - 4-methyl-2-phenyl-4,5-dihydro-1H-imidazole (1:2)",CC1CNC(=N1)c2ccccc2.CC3CNC(=N3)c4ccccc4.OC(=O)c5ccc(C(=O)O)c(c5)C(=O)O,CC1CNC(=N1)c2ccccc2.CC3CNC(=N3)c4ccccc4.OC(=O)c5ccc(C(=O)O)c(c5)C(=O)O,"InChI=1/2C10H12N2.C9H6O6/c2*1-8-7-11-10(12-8)9-5-3-2-4-6-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h2*2-6,8H,7H2,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13)(H,14,15)",C10H12N2.1/2C9H6O6,,,,,,NHWKWOPVWPKZMC-UHFFFAOYSA-N,,,,,,,,,,,
100.074.302,281-758-1,84029-87-8,5-(isopropyl)-4-methylphthalic acid,4-isopropyl-5-methylphthalic acid,CC(C)c1cc(C(=O)O)c(cc1C)C(=O)O,CC(C)c1cc(C(=O)O)c(cc1C)C(=O)O,"InChI=1/C12H14O4/c1-6(2)8-5-10(12(15)16)9(11(13)14)4-7(8)3/h4-6H,1-3H3,(H,13,14)(H,15,16)",C12H14O4,,,,,,JXJMQLWUVREZGB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.306,281-762-3,84029-91-4,"2-methoxy-2,6,6,9-tetramethylbicyclo[3.3.1]nonane","2-methoxy-2,6,6,9-tetramethylbicyclo[3.3.1]nonane",COC1(C)CCC2C(C)C1CCC2(C)C,COC1(C)CCC2C(C)C1CCC2(C)C,"InChI=1/C14H26O/c1-10-11-7-9-14(4,15-5)12(10)6-8-13(11,2)3/h10-12H,6-9H2,1-5H3",C14H26O,,,,,,HVCNHMFKCIERDI-UHFFFAOYSA-N,,,,,,,,,,,
100.074.310,281-767-0,84029-96-9,1-(tert-butyl)-4-methylnaphthalene,1-tert-butyl-4-methylnaphthalene,Cc1ccc(c2ccccc12)C(C)(C)C,Cc1ccc(c2ccccc12)C(C)(C)C,"InChI=1/C15H18/c1-11-9-10-14(15(2,3)4)13-8-6-5-7-12(11)13/h5-10H,1-4H3",C15H18,,,,,,APXKKRBPTNNHGS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.314,281-771-2,84030-00-2,1-(tert-butyl)-8-methylnaphthalene,1-tert-butyl-8-methylnaphthalene,Cc1cccc2cccc(c12)C(C)(C)C,Cc1cccc2cccc(c12)C(C)(C)C,"InChI=1/C15H18/c1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,QRSHXEMAGJAHQU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.319,281-777-5,84030-06-8,"Disodium hydrogen 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-1-(3-sulphonatophenyl)-1H-pyrazole-3-carboxylate","hydrogen disodium 5-oxo-4-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O)C([O-])=O,[H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=NC3\C(=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O)C([O-])=O,"InChI=1/C18H16N4O12S3.2Na.H2/c23-17-15(16(18(24)25)21-22(17)12-2-1-3-14(10-12)36(28,29)30)20-19-11-4-6-13(7-5-11)35(26,27)9-8-34-37(31,32)33;;;/h1-7,10,15H,8-9H2,(H,24,25)(H,28,29,30)(H,31,32,33);;;1H/q;3*+1/p-3",C18H16N4O12S3.2Na,,,,,,TXOUIJIHIWFYOF-UHFFFAOYSA-L,,,,,,,,,,,
100.062.518,268-790-1,68140-33-0,Lithium tetrakis(p-fluorophenyl)borate(1-),lithium tetrakis(4-fluorophenyl)borate(1-),[Li+].Fc1ccc(cc1)[B-](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4,[Li+].Fc1ccc(cc1)[B-](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4,"InChI=1/C24H16BF4.Li/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1",C24H16BF4.Li,,,,,,CYAALCBETSCAKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.520,268-792-2,68140-40-9,"(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with 2-amino-2-methylpropan-1-ol (1:1)",N-methyl-N-oleoylglycine - 2-amino-2-methylpropan-1-ol (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(=O)O.CC(C)(N)CO,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.CC(C)(N)CO,"InChI=1/C21H39NO3.C4H11NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;1-4(2,5)3-6/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);6H,3,5H2,1-2H3",C21H39NO3.C4H11NO,,,,,,IUWLFSWVZNBEIJ-GMFCBQQYSA-N,,,,,,,,,,,
100.062.521,268-793-8,68140-41-0,"Oleic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)",octadec-9-enoic acid - 2-amino-2-methylpropan-1-ol (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CC(C)(N)CO,CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(C)(N)CO,"InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2,5)3-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);6H,3,5H2,1-2H3",C18H34O2.C4H11NO,,,,,,WCDXNKJYIXSLTE-KVVVOXFISA-N,,,,,,,,,,,
100.062.524,268-796-4,68140-45-4,"2,2',2''-nitrilotrisethyl tri(dihydrogenphosphate)","nitrilotriethane-2,1-diyl tris[dihydrogen (phosphate)]",OP(=O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)O,OP(=O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)O,"InChI=1/C6H18NO12P3/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)",C6H18NO12P3,,,,,,UITHHINVTNPXDF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.530,268-804-6,68140-52-3,"1,1'-[(3,7-dimethyl-6-octenylidene)bis(oxyethylene)]bisbenzene","1,1'-[(2,6-dimethyloct-2-ene-8,8-diyl)bis(oxyethane-2,1-diyl)]dibenzene",CC(CCC=C(C)C)CC(OCCc1ccccc1)OCCc2ccccc2,CC(CCC=C(C)C)CC(OCCc1ccccc1)OCCc2ccccc2,"InChI=1/C26H36O2/c1-22(2)11-10-12-23(3)21-26(27-19-17-24-13-6-4-7-14-24)28-20-18-25-15-8-5-9-16-25/h4-9,11,13-16,23,26H,10,12,17-21H2,1-3H3",C26H36O2,,,,,,BDZYZYHOKNHVQI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.531,268-805-1,68140-53-4,"Ethyl octahydro-4,7-methano-1H-indene-2-carboxylate","ethyl octahydro-1H-4,7-methanoindene-2-carboxylate",CCOC(=O)C1CC2C3CCC(C3)C2C1,CCOC(=O)C1CC2C3CCC(C3)C2C1,"InChI=1/C13H20O2/c1-2-15-13(14)10-6-11-8-3-4-9(5-8)12(11)7-10/h8-12H,2-7H2,1H3",C13H20O2,,,,,,MOGRTXHBIPWFGN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.533,268-807-2,68140-56-7,"Ethyl octahydro-4,7-methano-1H-indene-5-carboxylate","ethyl octahydro-1H-4,7-methanoindene-5-carboxylate",CCOC(=O)C1CC2CC1C3CCCC23,CCOC(=O)C1CC2CC1C3CCCC23,"InChI=1/C13H20O2/c1-2-15-13(14)12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,2-7H2,1H3",C13H20O2,,,,,,LSYHEHNUOBEHMG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.664,277-753-9,74186-17-7,Trisodium 5-[[5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]-2-(3-sulphonatopropoxy)phenyl]azo]salicylate,trisodium 2-hydroxy-5-({5-methyl-4-[(4-nitro-2-sulfonatophenyl)diazenyl]-2-(3-sulfonatopropoxy)phenyl}diazenyl)benzoate,[Na+].[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc1cc(OCCCS([O-])(=O)=O)c(cc1C)N=Nc2cc(C([O-])=O)c(O)cc2)c(c3)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc1cc(OCCCS([O-])(=O)=O)c(cc1C)N=Nc2cc(C([O-])=O)c(O)cc2)c(c3)S([O-])(=O)=O,"InChI=1/C23H21N5O12S2.3Na/c1-13-9-19(27-24-14-3-6-20(29)16(10-14)23(30)31)21(40-7-2-8-41(34,35)36)12-18(13)26-25-17-5-4-15(28(32)33)11-22(17)42(37,38)39;;;/h3-6,9-12,29H,2,7-8H2,1H3,(H,30,31)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3",C23H21N5O12S2.3Na,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17918,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.664,PGODFFBQDSMUKZ-UHFFFAOYSA-K,,,,,,,,,,,
100.049.196,254-134-1,38819-28-2,"(R)-2-amino-4-[(2-aminopropionyl)amino]-2,4-dideoxy-L-arabinose","4-(alanylamino)-2-amino-2,4-dideoxy-L-arabinose",CC(N)C(=O)N[C@@H](CO)[C@H](O)[C@@H](N)C=O,CC(N)C(=O)N[C@@H](CO)[C@H](O)[C@@H](N)C=O,"InChI=1/C8H17N3O4/c1-4(9)8(15)11-6(3-13)7(14)5(10)2-12/h2,4-7,13-14H,3,9-10H2,1H3,(H,11,15)",C8H17N3O4,,,,,,KBSVAZCLQHOLKP-ROQFXPJHSA-N,,,,,,,,,,,
100.049.201,254-139-9,38827-07-5,"Titanium a,a,4-trimethylcyclohex-3-ene-1-methanolate (1:4)","titanium alpha,alpha,4-trimethylcyclohex-3-ene-1-methanolate (1:4)",[Ti].CC1=CCC(CC1)C(C)(C)[O-].CC2=CCC(CC2)C(C)(C)[O-].CC3=CCC(CC3)C(C)(C)[O-].CC4=CCC(CC4)C(C)(C)[O-],[Ti].CC1=CCC(CC1)C(C)(C)[O-].CC2=CCC(CC2)C(C)(C)[O-].CC3=CCC(CC3)C(C)(C)[O-].CC4=CCC(CC4)C(C)(C)[O-],"InChI=1/4C10H17O.Ti/c4*1-8-4-6-9(7-5-8)10(2,3)11;/h4*4,9H,5-7H2,1-3H3;/q4*-1;+2",C10H18O.1/4Ti,,,,,,WXSWNRDHCHYHCB-UHFFFAOYSA-N,,,,,,,,,,,
100.049.209,254-148-8,38843-86-6,Dimethyl [[bis(2-hydroxypropyl)amino]methyl]phosphonate,dimethyl {[bis(2-hydroxypropyl)amino]methyl}phosphonate,COP(=O)(CN(CC(C)O)CC(C)O)OC,COP(=O)(CN(CC(C)O)CC(C)O)OC,"InChI=1/C9H22NO5P/c1-8(11)5-10(6-9(2)12)7-16(13,14-3)15-4/h8-9,11-12H,5-7H2,1-4H3",C9H22NO5P,,,,,,SLJIKADEGHILDH-UHFFFAOYSA-N,,,,,,,,,,,
100.049.211,254-150-9,38845-49-7,"Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium trichlorozincate","N-(4-{[4'-(dimethylamino)biphenyl-2-yl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium trichlorozincate(1-)",CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3.Cl[Zn-](Cl)Cl,CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3.Cl[Zn-](Cl)Cl,"InChI=1/C23H25N2.3ClH.Zn/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;;;;/h5-17H,1-4H3;3*1H;/q+1;;;;+2/p-3/rC23H25N2.Cl3Zn/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;1-4(2)3/h5-17H,1-4H3;/q+1;-1",C23H25N2.Cl3Zn,,,,,,JJSJKRSQMJDYKS-UHFFFAOYSA-K,,,,,,,,,,,
100.049.215,254-155-6,38850-01-0,3-[[1-[(anilino)carbonyl]-2-oxopropyl]azo]-2-hydroxy-5-nitrobenzenesulphonic acid,2-hydroxy-5-nitro-3-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonic acid,Oc2c(cc(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)[N+]([O-])=O)S(O)(=O)=O,Oc2c(cc(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)[N+]([O-])=O)S(O)(=O)=O,"InChI=1/C16H14N4O8S/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28/h2-8,14,22H,1H3,(H,17,23)(H,26,27,28)",C16H14N4O8S,,,,,,WPZBEKVKMIOWDO-UHFFFAOYSA-N,,,,,,,,,,,
100.049.219,254-159-8,38861-78-8,1-[4-(2-methylpropyl)phenyl]ethan-1-one,1-(4-isobutylphenyl)ethanone,CC(C)Cc1ccc(cc1)C(=O)C,CC(C)Cc1ccc(cc1)C(=O)C,"InChI=1/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3",C12H16O,,,,,,KEAGRYYGYWZVPC-UHFFFAOYSA-N,,,,,,,,,,,
100.049.228,254-169-2,38870-89-2,Methoxyacetyl chloride,methoxyacetyl chloride,COCC(=O)Cl,COCC(=O)Cl,"InChI=1/C3H5ClO2/c1-6-2-3(4)5/h2H2,1H3",C3H5ClO2,,,,,,JJKWHOSQTYYFAE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.432,281-901-8,84057-84-1,Lamotrigine,"6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine",Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl,Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl,"InChI=1/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)",C9H7Cl2N5,,,,,,PYZRQGJRPPTADH-UHFFFAOYSA-N,Positive,AU152806;EA267601|EA267602|EA267603|EA267604|EA267605|EA267606|EA267607|EA267608|EA267609|EA267610|EA267611|EA267612|EA267613|EA267614,[M+H]+;[M+H]+,CIDRAMP 20.0-30.0;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,256.0157:258.0126:257.0182;256.0146:210.9824:220.0384|256.0154|256.0155|256.0154:210.9825:186.9824|256.0149:210.9824:186.9824|256.015:210.9823:186.9823|172.9668:156.9607:158.9763|256.0154|256.0154|256.0154:210.9824:166.0292|256.0153:210.9824:171.9715|256.0152:210.9825:186.9824|172.9668:156.9607:158.9763|256.015:210.9824:220.0384,Athens_Univ;Eawag,,,,,
100.074.435,281-904-4,84060-80-0,"(Z,Z)-3-hexenyl 2-methyl-2-butenoate",hex-3-en-1-yl 2-methylbut-2-enoate,CC\\C=C/CCOC(=O)C(C)=CC,CC\C=C/CCOC(=O)C(C)=CC,"InChI=1/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3",C11H18O2,,,,,,JNWQKXUWZWKUAY-MHOVPGDZSA-N,,,,,,,,,,,
100.046.904,251-610-0,33636-14-5,"Phosphoric acid, calcium strontium salt",-,[Ca+2].[Sr+2].[O-]P(=O)([O-])[O-],[Ca+2].[Sr+2].[O-]P(=O)([O-])[O-],"InChI=1/Ca.H3O4P.Sr/c;1-5(2,3)4;/h;(H3,1,2,3,4);/q+2;;+2/p-3",Ca.xH3O4P.xSr,,,,,,MXVLCDZQHRRRMM-UHFFFAOYSA-K,,,,,,,,,,,
100.046.908,251-614-2,33646-40-1,(4-methoxyphenyl)glycolonitrile,hydroxy(4-methoxyphenyl)acetonitrile,COc1ccc(cc1)C(O)C#N,COc1ccc(cc1)C(O)C#N,"InChI=1/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H3",C9H9NO2,,,,,,WLDAAMXETLHTER-UHFFFAOYSA-N,,,,,,,,,,,
100.046.914,251-621-0,33663-50-2,"2,4,6-trichloroanilinium chloride","2,4,6-trichloroanilinium chloride",[Cl-].[NH3+]c1c(Cl)cc(Cl)cc1Cl,[Cl-].[NH3+]c1c(Cl)cc(Cl)cc1Cl,"InChI=1/C6H4Cl3N.ClH/c7-3-1-4(8)6(10)5(9)2-3;/h1-2H,10H2;1H",C6H4Cl3N.ClH,,,,,,RZQIWOXUOIBGEH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.916,251-623-1,33667-47-9,Benzyl(2-hydroxyethyl)dimethylammonium hydroxide,"N-benzyl-2-hydroxy-N,N-dimethylethanaminium hydroxide",[OH-].C[N+](C)(CCO)Cc1ccccc1,[OH-].C[N+](C)(CCO)Cc1ccccc1,"InChI=1/C11H18NO.H2O/c1-12(2,8-9-13)10-11-6-4-3-5-7-11;/h3-7,13H,8-10H2,1-2H3;1H2/q+1;/p-1",C11H18NO.HO,,,,,,TVVUHQXSPNKNOA-UHFFFAOYSA-M,,,,,,,,,,,
100.046.919,251-626-8,33668-25-6,Ethyl 3-oxocyclohexanecarboxylate,ethyl 3-oxocyclohexanecarboxylate,CCOC(=O)C1CCCC(=O)C1,CCOC(=O)C1CCCC(=O)C1,"InChI=1/C9H14O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7H,2-6H2,1H3",C9H14O3,,,,,,YLRVJPQVDQQBOX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.479,279-750-8,81371-84-8,3-bromo-2-oxopropionaldehyde,3-bromo-2-oxopropanal,BrCC(=O)C=O,BrCC(=O)C=O,"InChI=1/C3H3BrO2/c4-1-3(6)2-5/h2H,1H2",C3H3BrO2,,,,,,SRFTYAFYJJADPI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.486,279-758-1,81419-36-5,"1,5-diamino-2-[4-(2-ethoxyethoxy)phenyl]-4,8-dihydroxyanthraquinone","1,5-diamino-2-[4-(2-ethoxyethoxy)phenyl]-4,8-dihydroxy-9,10-anthraquinone",CCOCCOc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N,CCOCCOc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N,"InChI=1/C24H22N2O6/c1-2-31-9-10-32-13-5-3-12(4-6-13)14-11-17(28)20-21(22(14)26)24(30)19-16(27)8-7-15(25)18(19)23(20)29/h3-8,11,27-28H,2,9-10,25-26H2,1H3",C24H22N2O6,,,,,,IHFFAAMKORYJQC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.003,277-027-1,72927-86-7,2-octylidenecyclohexan-1-one,2-octylidenecyclohexanone,O=C1CCCCC1=CCCCCCCC,O=C1CCCCC1=CCCCCCCC,"InChI=1/C14H24O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h10H,2-9,11-12H2,1H3",C14H24O,,,,,,FOTNXVZRWMBVGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.004,277-028-7,72927-87-8,2-heptylidenecyclohexan-1-one,2-heptylidenecyclohexanone,O=C1CCCCC1=CCCCCCC,O=C1CCCCC1=CCCCCCC,"InChI=1/C13H22O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h9H,2-8,10-11H2,1H3",C13H22O,,,,,,CSVZOOMJWBCXPP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.007,277-031-3,72927-90-3,"Disodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoate","disodium 5-{(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)[2-chloro-4-(dimethylamino)phenyl]methyl}-2-hydroxy-3-methylbenzoate",[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)C(c2ccc(cc2Cl)N(C)C)=C/3/C=C(/C)C(=O)\\C(=C\\3)C([O-])=O,[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)C(c2ccc(cc2Cl)N(C)C)=C/3/C=C(/C)C(=O)\C(=C\3)C([O-])=O,"InChI=1/C25H22ClNO6.2Na/c1-12-7-14(9-18(22(12)28)24(30)31)21(17-6-5-16(27(3)4)11-20(17)26)15-8-13(2)23(29)19(10-15)25(32)33;;/h5-11,28H,1-4H3,(H,30,31)(H,32,33);;/q;2*+1/p-2",C25H22ClNO6.2Na,,,,,,GWASQUMCDHWYNG-UHFFFAOYSA-L,,,,,,,,,,,
100.070.008,277-032-9,72927-91-4,"Trisodium 2-[[4-chloro-6-[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate","trisodium 2-{[4-chloro-6-({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2ccc(N=Nc1cccc(c1)S([O-])(=O)=O)cc2OC)nc(Nc3cc(ccc3S([O-])(=O)=O)S([O-])(=O)=O)n4,[Na+].[Na+].[Na+].Clc4nc(Nc2ccc(N=Nc1cccc(c1)S([O-])(=O)=O)cc2OC)nc(Nc3cc(ccc3S([O-])(=O)=O)S([O-])(=O)=O)n4,"InChI=1/C22H18ClN7O10S3.3Na/c1-40-18-10-13(30-29-12-3-2-4-14(9-12)41(31,32)33)5-7-16(18)24-21-26-20(23)27-22(28-21)25-17-11-15(42(34,35)36)6-8-19(17)43(37,38)39;;;/h2-11H,1H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H2,24,25,26,27,28);;;/q;3*+1/p-3",C22H18ClN7O10S3.3Na,,,,,,FIFKTDSXJNRBOT-UHFFFAOYSA-K,,,,,,,,,,,
100.070.009,277-033-4,72927-92-5,"Trisodium 5-[[4-chloro-6-(morpholino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(C)ccc5N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4Nc2nc(nc(Cl)n2)N3CCOCC3)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(C)ccc5N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4Nc2nc(nc(Cl)n2)N3CCOCC3)S([O-])(=O)=O,"InChI=1/C24H22ClN7O11S3.3Na/c1-12-2-3-15(17(8-12)45(37,38)39)30-31-20-18(46(40,41)42)10-13-9-14(44(34,35)36)11-16(19(13)21(20)33)26-23-27-22(25)28-24(29-23)32-4-6-43-7-5-32;;;/h2-3,8-11,33H,4-7H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,26,27,28,29);;;/q;3*+1/p-3",C24H22ClN7O11S3.3Na,,,,,,KXXIXSOUNZEYLW-UHFFFAOYSA-K,,,,,,,,,,,
100.070.011,277-036-0,72927-94-7,"4-[(2,6-dichloro-4-nitrophenyl)azo]-N-(4-nitrophenyl)aniline","4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(4-nitrophenyl)aniline",Clc3cc(cc(Cl)c3N=Nc2ccc(Nc1ccc(cc1)[N+]([O-])=O)cc2)[N+]([O-])=O,Clc3cc(cc(Cl)c3N=Nc2ccc(Nc1ccc(cc1)[N+]([O-])=O)cc2)[N+]([O-])=O,"InChI=1/C18H11Cl2N5O4/c19-16-9-15(25(28)29)10-17(20)18(16)23-22-13-3-1-11(2-4-13)21-12-5-7-14(8-6-12)24(26)27/h1-10,21H",C18H11Cl2N5O4,,,,,,HGNCUZYSZRALIC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.013,277-038-1,72927-97-0,5-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde,5-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde,O=CC1C\\C=C/C(=CC(C)(C)O)C1,O=CC1C\C=C/C(=CC(C)(C)O)C1,"InChI=1/C11H16O2/c1-11(2,13)7-9-4-3-5-10(6-9)8-12/h3-4,7-8,10,13H,5-6H2,1-2H3",C11H16O2,,,,,,HZHOPLNHGZJIDX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.015,277-040-2,72927-99-2,"Trisodium 1-amino-4-[[3-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-{[3-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2,4,6-trimethyl-5-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)S(=O)(=O)[O-],"InChI=1/C32H26ClN7O11S3.3Na/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-9-4-5-10-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-7-6-8-17(11-16)52(43,44)45;;;/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40);;;/q;3*+1/p-3",C32H26ClN7O11S3.3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18626,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.015,ZUCXUTRTSQLRCV-UHFFFAOYSA-K,,,,,,,,,,,
100.071.875,279-086-9,79135-86-7,"N,N'-(9,10-dihydro-2-methoxy-9,10-dioxoanthracene-1,4-diyl)bis(benzamide)","N,N'-(2-methoxy-9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)dibenzamide",COc1cc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1NC(=O)c5ccccc5,COc1cc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1NC(=O)c5ccccc5,"InChI=1/C29H20N2O5/c1-36-22-16-21(30-28(34)17-10-4-2-5-11-17)23-24(25(22)31-29(35)18-12-6-3-7-13-18)27(33)20-15-9-8-14-19(20)26(23)32/h2-16H,1H3,(H,30,34)(H,31,35)",C29H20N2O5,,,,,,BRCRLXMIRKSHJK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.885,279-097-9,79146-63-7,"1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-imidazole mono(toluene-4-sulphonate)","1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)O.Clc2ccc(C(=O)Cn3ccnc3)c(Cl)c2,Cc1ccc(cc1)S(=O)(=O)O.Clc2ccc(C(=O)Cn3ccnc3)c(Cl)c2,"InChI=1/C11H8Cl2N2O.C7H8O3S/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7H,6H2;2-5H,1H3,(H,8,9,10)",C11H8Cl2N2O.C7H8O3S,,,,,,NTDDQTLMDLQJOU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.888,279-101-9,79154-84-0,"2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylanilino]ethyl acetate","2-[(2-cyanoethyl){4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl}amino]ethyl acetate",CC(=O)OCCN(CCC#N)c1ccc(N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])c(C)c1,CC(=O)OCCN(CCC#N)c1ccc(N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])c(C)c1,"InChI=1/C20H19Cl2N5O4/c1-13-10-15(26(7-3-6-23)8-9-31-14(2)28)4-5-19(13)24-25-20-17(21)11-16(27(29)30)12-18(20)22/h4-5,10-12H,3,7-9H2,1-2H3",C20H19Cl2N5O4,,,,,,BQGIQKLMWPNCNV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.891,279-105-0,79181-61-6,"Morpholinium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","morpholin-4-ium 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)[O-].C3COCC[NH2+]3,CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)[O-].C3COCC[NH2+]3,"InChI=1/C8H11NO3S.C4H9NO/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8;1-3-6-4-2-5-1/h5-6H,3H2,1-2H3,(H,11,12);5H,1-4H2",C8H11NO3S.C4H9NO,,,,,,WDHOGXUKRQAKNW-IBTYICNHSA-N,,,,,,,,,,,
100.071.899,279-113-4,79211-46-4,"5-(carbamoyl)-2,4,6-triiodoisophthalic acid","5-carbamoyl-2,4,6-triiodoisophthalic acid",NC(=O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I,NC(=O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I,"InChI=1/C9H4I3NO5/c10-4-1(7(13)14)5(11)3(9(17)18)6(12)2(4)8(15)16/h(H2,13,14)(H,15,16)(H,17,18)",C9H4I3NO5,,,,,,KHTGTPXXKOLMEH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.752,281-152-7,83877-83-2,"3-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)propene","3-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)prop-1-ene",FC(F)(F)C(F)(Cl)C(F)(F)OCC=C,FC(F)(F)C(F)(Cl)C(F)(F)OCC=C,"InChI=1/C6H5ClF6O/c1-2-3-14-6(12,13)4(7,8)5(9,10)11/h2H,1,3H2",C6H5ClF6O,,,,,,MQWHSNAKLKDGRD-UHFFFAOYSA-N,,,,,,,,,,,
100.073.754,281-154-8,83877-85-4,"2-chloro-1,1,1,2,3,3-hexafluoro-3-[(trifluorovinyl)oxy]propane","2-chloro-1,1,1,2,3,3-hexafluoro-3-[(trifluorovinyl)oxy]propane",FC(=C(F)OC(F)(F)C(F)(Cl)C(F)(F)F)F,FC(=C(F)OC(F)(F)C(F)(Cl)C(F)(F)F)F,"InChI=1/C5ClF9O/c6-3(10,4(11,12)13)5(14,15)16-2(9)1(7)8",C5ClF9O,,,,,,OLZWAIIFDODWMH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.765,281-166-3,83878-00-6,"1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-10-nitro-1,4:5,8-dimethanotriphenylene","1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-10-nitro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene",[O-][N+](=O)c1ccc2C3C(C4C(c2c1)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,[O-][N+](=O)c1ccc2C3C(C4C(c2c1)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,"InChI=1/C20H7Cl12NO2/c21-11-13(23)17(27)9-7(15(11,25)19(17,29)30)5-2-1-4(33(34)35)3-6(5)8-10(9)18(28)14(24)12(22)16(8,26)20(18,31)32/h1-3,7-10H",C20H7Cl12NO2,,,,,,MHPJVBXNJRHGKU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.768,281-170-5,83878-03-9,Ethyl 1-acetyl-4-methyl-6-propylcyclohex-3-ene-1-carboxylate,ethyl 1-acetyl-4-methyl-6-propylcyclohex-3-ene-1-carboxylate,CCCC1CC(=CCC1(C(=O)C)C(=O)OCC)C,CCCC1CC(=CCC1(C(=O)C)C(=O)OCC)C,"InChI=1/C15H24O3/c1-5-7-13-10-11(3)8-9-15(13,12(4)16)14(17)18-6-2/h8,13H,5-7,9-10H2,1-4H3",C15H24O3,,,,,,QYIMRQXWCAWAMM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.770,281-172-6,83878-05-1,2-(2-pinen-10-yl)cyclopentanone,"2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]cyclopentanone",CC1(C)C2CC=C(CC3CCCC3=O)C1C2,CC1(C)C2CC=C(CC3CCCC3=O)C1C2,"InChI=1/C15H22O/c1-15(2)12-7-6-10(13(15)9-12)8-11-4-3-5-14(11)16/h6,11-13H,3-5,7-9H2,1-2H3",C15H22O,,,,,,YMEBHFZQLASTNM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.776,281-178-9,83890-47-5,4-(diethylamino)benzaldehyde 1-naphthylphenylhydrazone,"N,N-diethyl-4-[1-naphthyl(phenyl)carbonohydrazonoyl]aniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3cccc4ccccc34)cc1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3cccc4ccccc34)cc1,"InChI=1/C27H27N3/c1-3-29(4-2)24-19-17-22(18-20-24)21-28-30(25-13-6-5-7-14-25)27-16-10-12-23-11-8-9-15-26(23)27/h5-21H,3-4H2,1-2H3",C27H27N3,,,,,,SUJMFQYAKKPLSH-SGWCAAJKSA-N,,,,,,,,,,,
100.075.711,283-310-0,84604-31-9,3-chloro-4-hexahydro-1H-azepin-1-yl-benzenediazonium tetrafluoroborate,4-azepan-1-yl-3-chlorobenzenediazonium tetrafluoroborate,F[B-](F)(F)F.Clc1cc(ccc1N2CCCCCC2)[N+]#N,F[B-](F)(F)F.Clc1cc(ccc1N2CCCCCC2)[N+]#N,"InChI=1/C12H15ClN3.BF4/c13-11-9-10(15-14)5-6-12(11)16-7-3-1-2-4-8-16;2-1(3,4)5/h5-6,9H,1-4,7-8H2;/q+1;-1",C12H15ClN3.BF4,,,,,,KSNOQBZKQUBLEI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.543,268-818-2,68140-95-4,Disodium N-[2-[(carboxylatomethyl)(2-hydroxyethyl)amino]ethyl]-N-(1-oxododecyl)glycinate,disodium [{2-[(carboxylatomethyl)(dodecanoyl)amino]ethyl}(2-hydroxyethyl)amino]acetate,[Na+].[Na+].CCCCCCCCCCCC(=O)N(CCN(CCO)CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)N(CCN(CCO)CC(=O)[O-])CC(=O)[O-],"InChI=1/C20H38N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(24)22(17-20(27)28)13-12-21(14-15-23)16-19(25)26;;/h23H,2-17H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2",C20H38N2O6.2Na,,,,,,ZKSNONAZAXOSIJ-UHFFFAOYSA-L,,,,,,,,,,,
100.068.301,275-154-7,71042-97-2,"4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenenitrile","4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enenitrile",CC1(C)C(/C)=C\\CC1CC=CC#N,CC1(C)C(/C)=C\CC1CC=CC#N,"InChI=1/C12H17N/c1-10-7-8-11(12(10,2)3)6-4-5-9-13/h4-5,7,11H,6,8H2,1-3H3",C12H17N,,,,,,ZGHAFKNVPNLOPO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.305,275-158-9,71065-87-7,"Disodium (R)-2,3-bis(palmitoyloxy)propyl phosphate","disodium 2,3-bis(palmitoyloxy)propyl phosphate",[Na+].[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC,[Na+].[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C35H69O8P.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h33H,3-32H2,1-2H3,(H2,38,39,40);;/q;2*+1/p-2",C35H69O8P.2Na,,,,,,NFRFUGBXJTXTMZ-QYKZUBHNSA-L,,,,,,,,,,,
100.068.307,275-161-5,71070-70-7,1-cyclohexyl-3-(2-methyl-4-quinolyl)urea,1-cyclohexyl-3-(2-methylquinolin-4-yl)urea,Cc1cc(NC(=O)NC2CCCCC2)c3ccccc3n1,Cc1cc(NC(=O)NC2CCCCC2)c3ccccc3n1,"InChI=1/C17H21N3O/c1-12-11-16(14-9-5-6-10-15(14)18-12)20-17(21)19-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,18,19,20,21)",C17H21N3O,,,,,,BDXWQASIPDHNBR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.323,275-178-8,71077-36-6,2-[[4-[benzylmethylamino]phenyl]azo]-3-methylthiazolium methyl sulphate,"2-({4-[benzyl(methyl)amino]phenyl}diazenyl)-3-methyl-1,3-thiazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.CN(Cc1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C,[O-]S(=O)(=O)OC.CN(Cc1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C,"InChI=1/C18H19N4S.CH4O4S/c1-21-12-13-23-18(21)20-19-16-8-10-17(11-9-16)22(2)14-15-6-4-3-5-7-15;1-5-6(2,3)4/h3-13H,14H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C18H19N4S.CH3O4S,,,,,,YVGRPKSEOSMEMN-UHFFFAOYSA-M,,,,,,,,,,,
100.068.327,275-183-5,71079-18-0,N-(cyclohexylcarbonimidoyl)-2-methylquinolin-4-amine,N-cyclohexyl-N'-(2-methylquinolin-4-yl)carbodiimide,Cc1cc(N=C=NC2CCCCC2)c3ccccc3n1,Cc1cc(N=C=NC2CCCCC2)c3ccccc3n1,"InChI=1/C17H19N3/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3",C17H19N3,,,,,,WLHLDTAFNKPYSI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.329,275-185-6,71080-06-3,N-cyclohexyl-N'-(2-methyl-4-quinolineyl)-N''-thiazol-2-ylguanidine monohydrochloride,"1-cyclohexyl-3-(2-methylquinolin-4-yl)-2-(1,3-thiazol-2-yl)guanidine hydrochloride",Cl.Cc1cc(N\\C(=N\\c2nccs2)\\NC3CCCCC3)c4ccccc4n1,Cl.Cc1cc(N\C(=N\c2nccs2)\NC3CCCCC3)c4ccccc4n1,"InChI=1/C20H23N5S.ClH/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15;/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,21,22,23,24,25);1H",C20H23N5S.ClH,,,,,,IWMWBGDREQGECL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.330,275-186-1,71085-11-5,Diethylmethyl[2-[(2-methyl-1-oxoallyl)oxy]propyl]ammonium chloride,"N,N-diethyl-2-(methacryloyloxy)-N-methylpropan-1-aminium chloride",[Cl-].CC[N+](C)(CC)CC(C)OC(=O)C(=C)C,[Cl-].CC[N+](C)(CC)CC(C)OC(=O)C(=C)C,"InChI=1/C12H24NO2.ClH/c1-7-13(6,8-2)9-11(5)15-12(14)10(3)4;/h11H,3,7-9H2,1-2,4-6H3;1H/q+1;/p-1",C12H24NO2.Cl,,,,,,HKPRSSWULXYHGA-UHFFFAOYSA-M,,,,,,,,,,,
100.072.411,279-676-6,81029-08-5,4-(methylsulphonyl)-3-nitrobenzoic acid,4-(methylsulfonyl)-3-nitrobenzoic acid,CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)O,CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)O,"InChI=1/C8H7NO6S/c1-16(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)",C8H7NO6S,,,,,,MZIWQSVCXANUIX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.419,279-685-5,81064-51-9,"Barium 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]benzenesulphonate","barium bis{4-chloro-3-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate}",[Ba+2].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O.[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O,[Ba+2].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O.[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O,"InChI=1/2C16H13ClN4O4S.Ba/c2*1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17;/h2*2-9,15H,1H3,(H,23,24,25);/q;;+2/p-2",C16H13ClN4O4S.Ba,,,,,,WNLDTQRZKHNZHX-UHFFFAOYSA-L,,,,,,,,,,,
100.072.420,279-686-0,81074-81-9,[[2-(hydroxymethyl)-5-furyl]methyl]ammonium chloride,[5-(hydroxymethyl)-2-furyl]methanaminium chloride,[Cl-].[NH3+]Cc1oc(CO)cc1,[Cl-].[NH3+]Cc1oc(CO)cc1,"InChI=1/C6H9NO2.ClH/c7-3-5-1-2-6(4-8)9-5;/h1-2,8H,3-4,7H2;1H",C8H13NO2.ClH,,,,,,OVDIFUWDEAVLJT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.423,279-689-7,81098-60-4,cisapride,4-amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide,COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c3cc(Cl)c(N)cc3OC,COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c3cc(Cl)c(N)cc3OC,"InChI=1/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)",C23H29ClFN3O4,,,,,,DCSUBABJRXZOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.920,251-627-3,33671-46-4,Clotiazepam,"5-(2-chlorophenyl)-7-ethyl-1-methyl-1,3-dihydro-2H-thieno[2,3-e][1,4]diazepin-2-one",CCc1cc2C(=NCC(=O)N(C)c2s1)c3ccccc3Cl,CCc1cc2C(=NCC(=O)N(C)c2s1)c3ccccc3Cl,"InChI=1/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3",C16H15ClN2OS,,,,,,CHBRHODLKOZEPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.922,251-629-4,33673-62-0,Dihydro-4-methyl-5-pentylfuran-2(3H)-one,4-methyl-5-pentyldihydrofuran-2(3H)-one,CCCCCC1OC(=O)CC1C,CCCCCC1OC(=O)CC1C,"InChI=1/C10H18O2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3",C10H18O2,,,,,,LOQFOBUZYRBURV-UHFFFAOYSA-N,,,,,,,,,,,
100.046.924,251-632-0,33673-71-1,"1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one","1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one",C/C1=C/C(C)(C)CCC1C(=O)C=CC,C/C1=C/C(C)(C)CCC1C(=O)C=CC,"InChI=1/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3",C13H20O,,,,,,NELDPSDYTZADSA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.925,251-633-6,33678-73-8,4-[(2-hydroxyethyl)methylamino]benzenediazonium tetrachlorozincate (2:1),bis{4-[(2-hydroxyethyl)(methyl)amino]benzenediazonium} tetrachlorozincate(2-),CN(CCO)c1ccc(cc1)[N+]#N.CN(CCO)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CN(CCO)c1ccc(cc1)[N+]#N.CN(CCO)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C9H12N3O.4ClH.Zn/c2*1-12(6-7-13)9-4-2-8(11-10)3-5-9;;;;;/h2*2-5,13H,6-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H12N3O.Cl4Zn/c2*1-12(6-7-13)9-4-2-8(11-10)3-5-9;1-5(2,3)4/h2*2-5,13H,6-7H2,1H3;/q2*+1;-2",C9H12N3O.1/2Cl4Zn,,,,,,LFVPHTWIABNBBX-UHFFFAOYSA-J,,,,,,,,,,,
100.046.931,251-639-9,33693-67-3,3-bromodihydro-3-methylfuran-2(3H)-one,3-bromo-3-methyldihydrofuran-2(3H)-one,CC1(Br)CCOC1=O,CC1(Br)CCOC1=O,"InChI=1/C5H7BrO2/c1-5(6)2-3-8-4(5)7/h2-3H2,1H3",C5H7BrO2,,,,,,MXEVTHILFFSWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.933,251-642-5,33696-00-3,4-bromo-2-nitroanisole,4-bromo-1-methoxy-2-nitrobenzene,COc1ccc(Br)cc1[N+](=O)[O-],COc1ccc(Br)cc1[N+](=O)[O-],"InChI=1/C7H6BrNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3",C7H6BrNO3,,,,,,ORBHQHXVVMZIDP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.672,277-762-8,74198-19-9,"2-methyl-3,6,9,12-tetraoxatridecan-1-ol","12-methyl-2,5,8,11-tetraoxatridecan-13-ol",COCCOCCOCCOC(C)CO,COCCOCCOCCOC(C)CO,"InChI=1/C10H22O5/c1-10(9-11)15-8-7-14-6-5-13-4-3-12-2/h10-11H,3-9H2,1-2H3",C10H22O5,,,,,,QFYJXYBADYVKQN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.674,277-764-9,74203-94-4,Bis(benzylideneaminoguanidinium) tartrate,bis(2-benzylidene-1-carbamimidoyldiazanium) tartarate,[O-]C(=O)C(O)C(O)C([O-])=O.NC(=N)[NH2+]N=Cc1ccccc1.NC(=N)[NH2+]N=Cc1ccccc1,[O-]C(=O)C(O)C(O)C([O-])=O.NC(=N)[NH2+]N=Cc1ccccc1.NC(=N)[NH2+]N=Cc1ccccc1,"InChI=1/2C8H10N4.C4H6O6/c2*9-8(10)12-11-6-7-4-2-1-3-5-7;5-1(3(7)8)2(6)4(9)10/h2*1-6H,(H4,9,10,12);1-2,5-6H,(H,7,8)(H,9,10)",C8H10N4.1/2C4H6O6,,,,,,KPMMIQWIYNBUOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.683,277-774-3,74220-43-2,"16a,17,21-trihydroxypregna-4,9(11)-diene-3,20-dione 21-acetate","16,17-dihydroxy-3,20-dioxopregna-4,9(11)-dien-21-yl acetate",CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C,"InChI=1/C23H30O6/c1-13(24)29-12-20(27)23(28)19(26)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h7,10,16,18-19,26,28H,4-6,8-9,11-12H2,1-3H3",C23H30O6,,,,,,MHKSVJLDCGZOIC-ZPDKUKPCSA-N,,,,,,,,,,,
100.070.684,277-775-9,74220-50-1,2-ethyl-2-phenylglutaronitrile,2-ethyl-2-phenylpentanedinitrile,CCC(CCC#N)(C#N)c1ccccc1,CCC(CCC#N)(C#N)c1ccccc1,"InChI=1/C13H14N2/c1-2-13(11-15,9-6-10-14)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9H2,1H3",C13H14N2,,,,,,OHMBZNYGSLYGJU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.688,277-780-6,74222-97-2,"Methyl 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulphonyl]benzoate","methyl 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate",COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2,COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2,"InChI=1/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)",C15H16N4O5S,,,,,,ZDXMLEQEMNLCQG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.689,277-781-1,74228-24-3,"N,N-dihexyl-m-toluidine","N,N-dihexyl-3-methylaniline",CCCCCCN(CCCCCC)c1cccc(C)c1,CCCCCCN(CCCCCC)c1cccc(C)c1,"InChI=1/C19H33N/c1-4-6-8-10-15-20(16-11-9-7-5-2)19-14-12-13-18(3)17-19/h12-14,17H,4-11,15-16H2,1-3H3",C19H33N,,,,,,VPGLWSMDJGQIMD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.690,277-782-7,74228-28-7,"Tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)methylamino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)(methyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].CN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(C)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].CN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(C)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C38H40N12O14S4.4Na/c1-49(17-19-51)37-45-33(39-25-9-13-29(14-10-25)65(53,54)55)43-35(47-37)41-27-7-5-23(31(21-27)67(59,60)61)3-4-24-6-8-28(22-32(24)68(62,63)64)42-36-44-34(46-38(48-36)50(2)18-20-52)40-26-11-15-30(16-12-26)66(56,57)58;;;;/h3-16,21-22,51-52H,17-20H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;;;/q;4*+1/p-4",C38H40N12O14S4.4Na,,,,,,VLVCOOUSPUZDPA-PLJHVDPMSA-J,,,,,,,,,,,
100.070.017,277-042-3,72928-01-9,4-methyl-5-(3-methylbuten-2-yl)cyclohex-3-ene-1-carbonitrile,4-methyl-5-(2-methyl-1-methylenepropyl)cyclohex-3-ene-1-carbonitrile,CC(C)C(=C)C1CC(CC=C1C)C#N,CC(C)C(=C)C1CC(CC=C1C)C#N,"InChI=1/C13H19N/c1-9(2)11(4)13-7-12(8-14)6-5-10(13)3/h5,9,12-13H,4,6-7H2,1-3H3",C13H19N,,,,,,LKDAKLHGGACMHV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.023,277-049-1,72928-07-5,3-bicyclo[2.2.1]hept-2-yl-2-butenenitrile,3-bicyclo[2.2.1]hept-2-ylbut-2-enenitrile,CC(=CC#N)C2CC1CCC2C1,CC(=CC#N)C2CC1CCC2C1,"InChI=1/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h4,9-11H,2-3,6-7H2,1H3",C11H15N,,,,,,MABXILJZMXOERV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.025,277-051-2,72928-09-7,5-nitro-1H-benzimidazole monohydrochloride,6-nitro-1H-benzimidazole hydrochloride,Cl.[O-][N+](=O)c1ccc2nc[nH]c2c1,Cl.[O-][N+](=O)c1ccc2nc[nH]c2c1,"InChI=1/C7H5N3O2.ClH/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;/h1-4H,(H,8,9);1H",C7H5N3O2.ClH,,,,,,BIKRVCZWEMDSGL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.027,277-053-3,72928-14-4,"5-methyl-1-(3-methylcyclohex-3-enyl)hexane-1,3-dione","5-methyl-1-(3-methylcyclohex-3-en-1-yl)hexane-1,3-dione",CC(C)CC(=O)CC(=O)C1CCC=C(C)C1,CC(C)CC(=O)CC(=O)C1CCC=C(C)C1,"InChI=1/C14H22O2/c1-10(2)7-13(15)9-14(16)12-6-4-5-11(3)8-12/h5,10,12H,4,6-9H2,1-3H3",C14H22O2,,,,,,QASVIWADBJDQAA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.396,269-757-4,68318-34-3,Decafluoro(trifluoromethyl)cyclohexanesulphonyl fluoride,"1,2,2,3,3,4,4,5,5,6-decafluoro-6-(trifluoromethyl)cyclohexanesulfonyl fluoride",FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)S(=O)(=O)F,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)S(=O)(=O)F,"InChI=1/C7F14O2S/c8-1(7(18,19)20)2(9,10)3(11,12)4(13,14)5(15,16)6(1,17)24(21,22)23",C7F14O2S,,,,,,SLYWOXPMQGKVAU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.397,269-759-5,68318-35-4,"Trisodium 4-amino-3-[[4'-[(2,4-dihydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4'-[(2,4-dihydroxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6cc(O)ccc6N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S([O-])(=O)=O)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[Na+].Oc6cc(O)ccc6N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S([O-])(=O)=O)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5,"InChI=1/C36H29N7O12S3.3Na/c1-18-13-20(3-10-26(18)39-41-28-12-7-24(44)17-29(28)45)21-4-11-27(19(2)14-21)40-42-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)37)43-38-23-5-8-25(9-6-23)56(47,48)49;;;/h3-17,44-46H,37H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C36H29N7O12S3.3Na,,,,,,SACZVYJIBHJNEN-UHFFFAOYSA-K,,,,,,,,,,,
100.074.132,281-571-5,83968-92-7,"[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate","N-{4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]cyclohexa-2,5-dien-1-ylidene}-N-ethylethanaminium acetate",CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC.CC(=O)[O-],CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC.CC(=O)[O-],"InChI=1/C32H30ClN2.C2H4O2/c1-4-35(5-2)25-21-19-23(20-22-25)30(26-15-9-11-17-28(26)33)31-27-16-10-12-18-29(27)34(3)32(31)24-13-7-6-8-14-24;1-2(3)4/h6-22H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C32H30ClN2.C2H3O2,,,,,,RHHMWSIFUXYWQH-UHFFFAOYSA-M,,,,,,,,,,,
100.074.137,281-576-2,83968-99-4,[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate,"2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,[H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C20H25N6O2.H2O4S.H2/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;1-5(2,3)4;/h6-11,14H,5,12-13H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C20H25N6O2.HO4S,,,,,,GKGJGEPJBSKTNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.138,281-577-8,83969-01-1,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium hydrogen sulphate","2-[(4-methoxyphenyl)(methyl)carbonohydrazonoyl]-1,3,3-trimethyl-5-nitro-3H-indolium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.COc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,[H+].[O-]S([O-])(=O)=O.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,"InChI=1/C20H23N4O3.H2O4S.H2/c1-20(2)17-12-15(24(25)26)8-11-18(17)22(3)19(20)13-21-23(4)14-6-9-16(27-5)10-7-14;1-5(2,3)4;/h6-13H,1-5H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C20H23N4O3.HO4S,,,,,,RYINFZSDRGHFGD-UHFFFAOYSA-M,,,,,,,,,,,
100.074.140,281-579-9,83969-03-3,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium acetate","2-[(4-methoxyphenyl)(methyl)carbonohydrazonoyl]-1,3,3-trimethyl-5-nitro-3H-indolium acetate",[O-]C(C)=O.COc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,[O-]C(C)=O.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,"InChI=1/C20H23N4O3.C2H4O2/c1-20(2)17-12-15(24(25)26)8-11-18(17)22(3)19(20)13-21-23(4)14-6-9-16(27-5)10-7-14;1-2(3)4/h6-13H,1-5H3;1H3,(H,3,4)/q+1;/p-1",C20H23N4O3.C2H3O2,,,,,,VQCWNBBCMOITIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.075.714,283-313-7,84604-34-2,N-(benzyl)-2-[[4-(morpholino)phenyl]azo]-3-oxobutyramide,N-benzyl-2-[(4-morpholin-4-ylphenyl)diazenyl]-3-oxobutanamide,CC(=O)C(N=Nc1ccc(cc1)N2CCOCC2)C(=O)NCc3ccccc3,CC(=O)C(N=Nc1ccc(cc1)N2CCOCC2)C(=O)NCc3ccccc3,"InChI=1/C21H24N4O3/c1-16(26)20(21(27)22-15-17-5-3-2-4-6-17)24-23-18-7-9-19(10-8-18)25-11-13-28-14-12-25/h2-10,20H,11-15H2,1H3,(H,22,27)",C21H24N4O3,,,,,,KSZYVSZMZJOOJU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.715,283-314-2,84604-35-3,2-[[3-chloro-4-(diethylamino)phenyl]azo]-3-oxo-N-phenylbutyramide,2-{[3-chloro-4-(diethylamino)phenyl]diazenyl}-3-oxo-N-phenylbutanamide,Clc1cc(ccc1N(CC)CC)N=NC(C(C)=O)C(=O)Nc2ccccc2,Clc1cc(ccc1N(CC)CC)N=NC(C(C)=O)C(=O)Nc2ccccc2,"InChI=1/C20H23ClN4O2/c1-4-25(5-2)18-12-11-16(13-17(18)21)23-24-19(14(3)26)20(27)22-15-9-7-6-8-10-15/h6-13,19H,4-5H2,1-3H3,(H,22,27)",C20H23ClN4O2,,,,,,GYMUHTPDPOAHMH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.720,283-320-5,84604-40-0,Methyl (E)-2-[(2-methyl-1-oxo-2-butenyl)amino]benzoate,methyl 2-[(2-methylbut-2-enoyl)amino]benzoate,COC(=O)c1ccccc1NC(=O)\\C(=C\\C)\\C,COC(=O)c1ccccc1NC(=O)\C(=C\C)\C,"InChI=1/C13H15NO3/c1-4-9(2)12(15)14-11-8-6-5-7-10(11)13(16)17-3/h4-8H,1-3H3,(H,14,15)",C13H15NO3,,,,,,XTTVYPWUDNSTFW-RUDMXATFSA-N,,,,,,,,,,,
100.075.724,283-324-7,84604-44-4,Methyl 2-[(3-methyl-1-oxobutyl)amino]benzoate,methyl 2-[(3-methylbutanoyl)amino]benzoate,COC(=O)c1ccccc1NC(=O)CC(C)C,COC(=O)c1ccccc1NC(=O)CC(C)C,"InChI=1/C13H17NO3/c1-9(2)8-12(15)14-11-7-5-4-6-10(11)13(16)17-3/h4-7,9H,8H2,1-3H3,(H,14,15)",C13H17NO3,,,,,,MQTXQBOLCSEIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.903,279-118-1,79241-89-7,"7,8-didehydro-6a-hydroxy-4,5a-epoxy-3-ethoxy-17-methylmorphinan (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonate","(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid - 3-ethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol (1:1)",CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.CC6(C)C7CC[C@@]6(CS(=O)(=O)O)C(=O)C7,CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.CC6(C)C7CC[C@@]6(CS(=O)(=O)O)C(=O)C7,"InChI=1/C19H23NO3.C10H16O4S/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h4-7,12-14,18,21H,3,8-10H2,1-2H3;7H,3-6H2,1-2H3,(H,12,13,14)",C19H23NO3.C10H16O4S,,,,,,NKOFCJOTATYGHA-KDWUCVLVSA-N,,,,,,,,,,,
100.071.904,279-119-7,79243-67-7,17ß-hydroxy-1a-methyl-17a-propyl-5a-androstan-3-one,"17-hydroxy-1,10,13-trimethyl-17-propylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@]12C,CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C23H38O2/c1-5-10-23(25)12-9-19-18-7-6-16-14-17(24)13-15(2)22(16,4)20(18)8-11-21(19,23)3/h15-16,18-20,25H,5-14H2,1-4H3",C23H38O2,,,,,,IMFNBOMNWHWKQD-MXENSADDSA-N,,,,,,,,,,,
100.071.906,279-121-8,79260-71-2,"1-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo[1,2-a]pyrimidin-6(2H)-one","1-(dichloroacetyl)-3,3,8a-trimethylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one",CC1(C)CN(C(=O)C(Cl)Cl)C2(C)CCC(=O)N2C1,CC1(C)CN(C(=O)C(Cl)Cl)C2(C)CCC(=O)N2C1,"InChI=1/C12H18Cl2N2O2/c1-11(2)6-15-8(17)4-5-12(15,3)16(7-11)10(18)9(13)14/h9H,4-7H2,1-3H3",C12H18Cl2N2O2,,,,,,MHULQDZDXMHODA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.909,279-124-4,79271-56-0,Triethylsilyl trifluoromethanesulphonate,triethylsilyl trifluoromethanesulfonate,CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F,CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F,"InChI=1/C7H15F3O3SSi/c1-4-15(5-2,6-3)13-14(11,12)7(8,9)10/h4-6H2,1-3H3",C7H15F3O3SSi,,,,,,STMPXDBGVJZCEX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.912,279-128-6,79288-94-1,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium tetrafluoroborate,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium tetrafluoroborate,CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.F[B-](F)(F)F,CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.F[B-](F)(F)F,"InChI=1/C15H16N3S.BF4/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;2-1(3,4)5/h4-9,16H,1-3H3;/q+1;-1",C15H16N3S.BF4,,,,,,POGWSMCKHBUZDE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.913,279-129-1,79295-92-4,"N-[5-[allyl(2-cyanoethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-[allyl(2-cyanoethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CCC#N)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CCC#N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H20ClN7O6/c1-4-7-27(8-5-6-23)18-11-16(24-13(2)30)17(12-20(18)35-3)25-26-21-15(22)9-14(28(31)32)10-19(21)29(33)34/h4,9-12H,1,5,7-8H2,2-3H3,(H,24,30)",C21H20ClN7O6,,,,,,OFBABPXIQMIOFF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.915,279-131-2,79295-99-1,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]acetamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C19H21ClN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)",C19H21ClN6O6,,,,,,LJIKWZXCXJFCCB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.424,279-690-2,81116-48-5,Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate,ethyl 9-oxo-3-(phenylsulfonyl)-9H-thioxanthene-1-carboxylate,CCOC(=O)c1cc(cc2Sc3ccccc3C(=O)c12)S(=O)(=O)c4ccccc4,CCOC(=O)c1cc(cc2Sc3ccccc3C(=O)c12)S(=O)(=O)c4ccccc4,"InChI=1/C22H16O5S2/c1-2-27-22(24)17-12-15(29(25,26)14-8-4-3-5-9-14)13-19-20(17)21(23)16-10-6-7-11-18(16)28-19/h3-13H,2H2,1H3",C22H16O5S2,,,,,,GMZGPOQKBSMQOG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.427,279-693-9,81125-12-4,"2-ethyl-2-[(4-hydroxybutoxy)methyl]propane-1,3-diol","2-ethyl-2-[(4-hydroxybutoxy)methyl]propane-1,3-diol",CCC(CO)(CO)COCCCCO,CCC(CO)(CO)COCCCCO,"InChI=1/C10H22O4/c1-2-10(7-12,8-13)9-14-6-4-3-5-11/h11-13H,2-9H2,1H3",C10H22O4,,,,,,KJRAJWLELDMHJL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.430,279-697-0,81155-58-0,[[[[3-(aminomethyl)phenyl]methyl]amino]methyl]phenol,2-({[3-(aminomethyl)benzyl]amino}methyl)phenol,NCc1cccc(CNCc2ccccc2O)c1,NCc1cccc(CNCc2ccccc2O)c1,"InChI=1/C15H18N2O/c16-9-12-4-3-5-13(8-12)10-17-11-14-6-1-2-7-15(14)18/h1-8,17-18H,9-11,16H2",C15H18N2O,,,,,,JCYUGANPTPZBBO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.435,279-702-6,81189-11-9,"Sebacic acid, compound with 2,2'-iminodiethanol (1:2)","decanedioic acid - 2,2'-iminodiethanol (1:2)",OCCNCCO.OCCNCCO.OC(=O)CCCCCCCCC(=O)O,OCCNCCO.OCCNCCO.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.2C4H11NO2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*6-3-1-5-2-4-7/h1-8H2,(H,11,12)(H,13,14);2*5-7H,1-4H2",C10H18O4.2C4H11NO2,,,,,,KXDOECKZLFEIBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.438,279-705-2,81207-64-9,"Trisodium 8-[[4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulphonate","trisodium 8-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4cc(cc(c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4cc(cc(c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C25H19N3O13S3.3Na/c1-13-5-6-15(10-20(13)27-24(29)14-3-2-4-16(9-14)28(31)32)25(30)26-19-7-8-21(43(36,37)38)18-11-17(42(33,34)35)12-22(23(18)19)44(39,40)41;;;/h2-12H,1H3,(H,26,30)(H,27,29)(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3",C25H19N3O13S3.3Na,,,,,,FQTYEEMSPBWVLV-UHFFFAOYSA-K,,,,,,,,,,,
100.072.442,279-709-4,81228-09-3,"2,4-difluorophenylacetic acid","(2,4-difluorophenyl)acetic acid",OC(=O)Cc1ccc(F)cc1F,OC(=O)Cc1ccc(F)cc1F,"InChI=1/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)",C8H6F2O2,,,,,,QPKZIGHNRLZBCL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.444,279-712-0,81241-67-0,"3-[[2,4-bis(2-methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid","3-{[2,4-bis(2-methylphenoxy)phenyl]diazenyl}-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonic acid",Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3ccc(cc3Oc2ccccc2C)Oc4ccccc4C)c(O)c56)S(O)(=O)=O)S(O)(=O)=O,Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3ccc(cc3Oc2ccccc2C)Oc4ccccc4C)c(O)c56)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C37H31N3O11S3/c1-22-12-15-27(16-13-22)52(42,43)40-30-21-28(53(44,45)46)18-25-19-34(54(47,48)49)36(37(41)35(25)30)39-38-29-17-14-26(50-31-10-6-4-8-23(31)2)20-33(29)51-32-11-7-5-9-24(32)3/h4-21,40-41H,1-3H3,(H,44,45,46)(H,47,48,49)",C37H31N3O11S3,,,,,,NVMGCGBELVIYMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.328,281-786-4,84030-16-0,N-(4-hydroxyphenyl)-N-methyl-3-oxobutyramide,N-(4-hydroxyphenyl)-N-methyl-3-oxobutanamide,CN(C(=O)CC(=O)C)c1ccc(O)cc1,CN(C(=O)CC(=O)C)c1ccc(O)cc1,"InChI=1/C11H13NO3/c1-8(13)7-11(15)12(2)9-3-5-10(14)6-4-9/h3-6,14H,7H2,1-2H3",C11H13NO3,,,,,,YDDCTVUBQGPBDT-UHFFFAOYSA-N,,,,,,,,,,,
100.074.332,281-791-1,84030-20-6,"1,3,4,6,7,8-hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine","1-methyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine",CN1CCCN2CCCN=C12,CN1CCCN2CCCN=C12,"InChI=1/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3",C8H15N3,,,,,,OEBXWWBYZJNKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.342,281-803-5,84030-30-8,"N,N-bis[2-(dodecylamino)ethyl]-glycine monohydrochloride","N,N-bis[2-(dodecylamino)ethyl]glycine hydrochloride",Cl.CCCCCCCCCCCCNCCN(CCNCCCCCCCCCCCC)CC(=O)O,Cl.CCCCCCCCCCCCNCCN(CCNCCCCCCCCCCCC)CC(=O)O,"InChI=1/C30H63N3O2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-33(29-30(34)35)28-26-32-24-22-20-18-16-14-12-10-8-6-4-2;/h31-32H,3-29H2,1-2H3,(H,34,35);1H",C30H63N3O2.ClH,,,,,,MVXJAPNCCGPZHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.347,281-808-2,84030-35-3,"4-[(4,8-disulpho-2-naphthyl)azo]-3-hydroxy-2-naphthoic acid","4-[(4,8-disulfo-2-naphthyl)diazenyl]-3-hydroxy-2-naphthoic acid",OS(=O)(=O)c4cccc1c4cc(cc1S(O)(=O)=O)N=Nc2c3ccccc3cc(C(O)=O)c2O,OS(=O)(=O)c4cccc1c4cc(cc1S(O)(=O)=O)N=Nc2c3ccccc3cc(C(O)=O)c2O,"InChI=1/C21H14N2O9S2/c24-20-16(21(25)26)8-11-4-1-2-5-13(11)19(20)23-22-12-9-15-14(18(10-12)34(30,31)32)6-3-7-17(15)33(27,28)29/h1-10,24H,(H,25,26)(H,27,28,29)(H,30,31,32)",C21H14N2O9S2,,,,,,KUNMPIQTHNYNBK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.359,281-821-3,84030-47-7,"Decyl 4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate","decyl 4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecan-1-oate",CCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCCCCCC,"InChI=1/2C12H24O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;2*1-3-5-7-8-6-4-2;/h2*15H,2-11H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC40H80O4S2Sn/c1-5-9-13-17-21-23-25-29-33-43-39(41)37-45-47(35-31-27-19-15-11-7-3,36-32-28-20-16-12-8-4)46-38-40(42)44-34-30-26-24-22-18-14-10-6-2/h5-38H2,1-4H3",C40H80O4S2Sn,,,,,,ZHBWNZRZOGXNKV-UHFFFAOYSA-L,,,,,,,,,,,
100.070.692,277-784-8,74233-41-3,"3,5,5-trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one","3,5,5-trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one",CC(=O)CCC1C(=CC(=O)CC1(C)C)C,CC(=O)CCC1C(=CC(=O)CC1(C)C)C,"InChI=1/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3",C13H20O2,,,,,,GSTVTHMQXVKNQF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.697,277-790-0,74256-15-8,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H9F27O2/c1-5(2)6(47)48-4-3-7(20,21)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)16(37,38)14(33,34)12(29,30)10(25,26)8(22,18(41,42)43)19(44,45)46/h1,3-4H2,2H3",C19H9F27O2,,,,,,NZSKSDOUVOVFHC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.703,277-796-3,74271-19-5,"Octahydro-5,5,8,8-tetramethylnaphthalene-2(1H)-one","5,5,8,8-tetramethyloctahydronaphthalen-2(1H)-one",CC1(C)CCC(C)(C)C2CC(=O)CCC12,CC1(C)CCC(C)(C)C2CC(=O)CCC12,"InChI=1/C14H24O/c1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13/h11-12H,5-9H2,1-4H3",C14H24O,,,,,,HFAVPFDUOLOEOM-UHFFFAOYSA-N,,,,,,,,,,,
100.049.247,254-190-7,38926-38-4,"2-[2-(2,3-dihydro-5-methoxy-2,3,3-trimethyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-[2-(5-methoxy-2,3,3-trimethyl-2,3-dihydro-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride",[Cl-].COc1ccc2N(\\C=C\\C3=[N+](C)c4ccccc4C3(C)C)C(C)C(C)(C)c2c1,[Cl-].COc1ccc2N(\C=C\C3=[N+](C)c4ccccc4C3(C)C)C(C)C(C)(C)c2c1,"InChI=1/C25H31N2O.ClH/c1-17-24(2,3)20-16-18(28-7)12-13-22(20)27(17)15-14-23-25(4,5)19-10-8-9-11-21(19)26(23)6;/h8-17H,1-7H3;1H/q+1;/p-1",C25H31N2O.Cl,,,,,,NJMYZPJDJLVCHF-UHFFFAOYSA-M,,,,,,,,,,,
100.049.249,254-192-8,38932-40-0,"Sodium [6R-[6a,7ß(R*)]]-7-(aminophenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",sodium 7-{[amino(phenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O[Na],CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O[Na],"InChI=1/C16H17N3O4S.Na/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);/q;+1/p-1",C16H17N3O4S.Na,,,,,,NZDYPHVJLWMLJI-UHFFFAOYSA-M,,,,,,,,,,,
100.050.752,255-847-0,42487-09-2,"N,N'-(2,5-dichloro-1,4-phenylene)bis[3-oxobutyramide]","N,N'-(2,5-dichloro-1,4-phenylene)bis(3-oxobutanamide)",CC(=O)CC(=O)Nc1cc(Cl)c(NC(=O)CC(=O)C)cc1Cl,CC(=O)CC(=O)Nc1cc(Cl)c(NC(=O)CC(=O)C)cc1Cl,"InChI=1/C14H14Cl2N2O4/c1-7(19)3-13(21)17-11-5-10(16)12(6-9(11)15)18-14(22)4-8(2)20/h5-6H,3-4H2,1-2H3,(H,17,21)(H,18,22)",C14H14Cl2N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17085,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.752,UTAJOMREBNYBAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.753,255-848-6,42487-72-9,2-(diethylamino)-6-methyl-1H-pyrimidin-4-one,2-(diethylamino)-6-methylpyrimidin-4(1H)-one,CCN(CC)C1=NC(=O)C=C(C)N1,CCN(CC)C1=NC(=O)C=C(C)N1,"InChI=1/C9H15N3O/c1-4-12(5-2)9-10-7(3)6-8(13)11-9/h6H,4-5H2,1-3H3,(H,10,11,13)",C9H15N3O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10355,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.753,NQCPECCCWDWTJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.754,255-849-1,42489-17-8,"1,2-dihydropyridazine-3,6-dione, compound with 2-aminoethanol","1,2-dihydropyridazine-3,6-dione - 2-aminoethanol (1:1)",NCCO.O=C1NNC(=O)C=C1,NCCO.O=C1NNC(=O)C=C1,"InChI=1/C4H4N2O2.C2H7NO/c7-3-1-2-4(8)6-5-3;3-1-2-4/h1-2H,(H,5,7)(H,6,8);4H,1-3H2",C4H4N2O2.xC2H7NO,,,,,,ZRUUKURQYAUHQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.761,255-857-5,42506-03-6,9-chloro-9-phenyl-9H-xanthene,9-chloro-9-phenyl-9H-xanthene,ClC1(c2ccccc2)c3ccccc3Oc4ccccc14,ClC1(c2ccccc2)c3ccccc3Oc4ccccc14,InChI=1/C19H13ClO/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H,C19H13ClO,,,,,,HTGMODSTGYKJDG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.764,255-860-1,42507-57-3,"(1a,2a,5ß)-4,5-dimethyl-2-(2-methylpropen-1-yl)cyclohex-3-ene-1-carbaldehyde","4,5-dimethyl-2-(2-methylprop-1-en-1-yl)cyclohex-3-ene-1-carbaldehyde",C[C@H]1C[C@H](C=O)[C@H](C=C(C)C)C=C1C,C[C@H]1C[C@H](C=O)[C@H](C=C(C)C)C=C1C,"InChI=1/C13H20O/c1-9(2)5-12-6-10(3)11(4)7-13(12)8-14/h5-6,8,11-13H,7H2,1-4H3",C13H20O,,,,,,DBKJZSIBBKOBCN-YNEHKIRRSA-N,,,,,,,,,,,
100.050.765,255-861-7,42507-58-4,"(1a,2a,5a)-4,5-dimethyl-2-(2-methylpropen-1-yl)cyclohex-3-ene-1-carbaldehyde","4,5-dimethyl-2-(2-methylprop-1-en-1-yl)cyclohex-3-ene-1-carbaldehyde",C[C@@H]1C[C@H](C=O)[C@H](C=C(C)C)C=C1C,C[C@@H]1C[C@H](C=O)[C@H](C=C(C)C)C=C1C,"InChI=1/C13H20O/c1-9(2)5-12-6-10(3)11(4)7-13(12)8-14/h5-6,8,11-13H,7H2,1-4H3",C13H20O,,,,,,DBKJZSIBBKOBCN-JHJVBQTASA-N,,,,,,,,,,,
100.074.482,281-956-8,84074-43-1,"Benzyl[3-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]amino]propyl]dimethylammonium chloride","N-benzyl-N,N-dimethyl-3-{[4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}propan-1-aminium chloride",[Cl-].CNc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,[Cl-].CNc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C27H29N3O2.ClH/c1-28-22-14-15-23(25-24(22)26(31)20-12-7-8-13-21(20)27(25)32)29-16-9-17-30(2,3)18-19-10-5-4-6-11-19;/h4-8,10-15H,9,16-18H2,1-3H3,(H-,28,29,31,32);1H",C27H30N3O2.Cl,,,,,,RQZOSTNXIVYGDL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.028,277-054-9,72928-16-6,"3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]propiononitrile","3-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(2-hydroxyethyl)amino]propanenitrile",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(CCC#N)CCO)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1C)N(CCC#N)CCO)[N+]([O-])=O,"InChI=1/C18H17Cl2N5O3/c1-12-9-13(24(7-8-26)6-2-5-21)3-4-17(12)22-23-18-15(19)10-14(25(27)28)11-16(18)20/h3-4,9-11,26H,2,6-8H2,1H3",C18H17Cl2N5O3,,,,,,FTGDWORKLZCBFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.031,277-058-0,72928-24-6,Undec-10-enyl propionate,undec-10-en-1-yl propionate,CCC(=O)OCCCCCCCCCC=C,CCC(=O)OCCCCCCCCCC=C,"InChI=1/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3H,1,4-13H2,2H3",C14H26O2,,,,,,MVNIQZNNNMCYJX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.033,277-060-1,72928-26-8,6-ethoxy-7-methyl-1-pentylbicyclo[3.2.0]heptan-2-one,6-ethoxy-7-methyl-1-pentylbicyclo[3.2.0]heptan-2-one,CCCCCC12C(C)C(OCC)C1CCC2=O,CCCCCC12C(C)C(OCC)C1CCC2=O,"InChI=1/C15H26O2/c1-4-6-7-10-15-11(3)14(17-5-2)12(15)8-9-13(15)16/h11-12,14H,4-10H2,1-3H3",C15H26O2,,,,,,GDKZYNYQEYOOFW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.035,277-062-2,72928-28-0,"a,2-dimethyl-5-(1-methylvinyl)cyclohex-2-en-1-acetaldehyde",2-(5-isopropenyl-2-methylcyclohex-2-en-1-yl)propanal,CC(C=O)C1CC(CC=C1C)C(=C)C,CC(C=O)C1CC(CC=C1C)C(=C)C,"InChI=1/C13H20O/c1-9(2)12-6-5-10(3)13(7-12)11(4)8-14/h5,8,11-13H,1,6-7H2,2-4H3",C13H20O,,,,,,PBEWYCCRRKCGGW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.037,277-064-3,72928-30-4,"4'-cyano[1,1'-biphenyl]-4-yl 4'-heptyl[1,1'-biphenyl]-4-carboxylate",4'-cyanobiphenyl-4-yl 4'-heptylbiphenyl-4-carboxylate,CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(cc3)c4ccc(cc4)C#N,CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(cc3)c4ccc(cc4)C#N,"InChI=1/C33H31NO2/c1-2-3-4-5-6-7-25-8-12-27(13-9-25)29-16-18-31(19-17-29)33(35)36-32-22-20-30(21-23-32)28-14-10-26(24-34)11-15-28/h8-23H,2-7H2,1H3",C33H31NO2,,,,,,YTSKNVPWUIOPIL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.427,269-792-5,68333-81-3,"Alkanes, C4-12",3-ethyl-2-methylpentane,CCC(CC)C(C)C,CCC(CC)C(C)C,"InChI=1/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3",-,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1809,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.427,DUPUVYJQZSLSJB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.466,269-834-2,68334-55-4,[2-hydroxy-3-(tridecyloxy)propyl]trimethylammonium chloride,"2-hydroxy-N,N,N-trimethyl-3-(tridecyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCOCC(O)C[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCOCC(O)C[N+](C)(C)C,"InChI=1/C19H42NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20(2,3)4;/h19,21H,5-18H2,1-4H3;1H/q+1;/p-1",C19H42NO2.Cl,,,,,,ZNENCJSVIBBUAO-UHFFFAOYSA-M,,,,,,,,,,,
100.074.150,281-590-9,83969-13-5,"Bis[5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] sulphate","bis[5-(diisopropylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium] sulfate",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C(C)C)C(C)C,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C(C)C)C(C)C,"InChI=1/2C17H27N6S.H2O4S/c2*1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-5(2,3)4/h2*8-13H,1-7H3;(H2,1,2,3,4)/q2*+1;/p-2",C17H27N6S.1/2O4S,,,,,,MTZFWHFMSVYUOF-UHFFFAOYSA-L,,,,,,,,,,,
100.074.151,281-591-4,83969-14-6,"5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium acetate","5-(diisopropylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium acetate",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]C(C)=O,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]C(C)=O,"InChI=1/C17H27N6S.C2H4O2/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-2(3)4/h8-13H,1-7H3;1H3,(H,3,4)/q+1;/p-1",C17H27N6S.C2H3O2,,,,,,IZQNFRQIJJQVDE-UHFFFAOYSA-M,,,,,,,,,,,
100.074.153,281-594-0,83969-16-8,"[2-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate","2-[{4-[(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium hydrogen sulfate",[H+].Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O,[H+].Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O,"InChI=1/C19H24Br2N5O2.H2O4S.H2/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5(2,3)4;/h6-9,12-13H,5,10-11H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C19H24Br2N5O2.HO4S,,,,,,DNVCRFUNMNNSNG-UHFFFAOYSA-M,,,,,,,,,,,
100.074.168,281-610-6,83984-87-6,"Pentaammonium hydrogen 4-amino-3-[(2,5-disulphonatophenyl)azo]-5-hydroxy-6-[(3-phosphonatophenyl)azo]naphthalene-2,7-disulphonate","pentaammonium hydrogen 4-amino-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxy-6-[(3-phosphonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[H+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O=P([O-])([O-])c4cc(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)ccc4,[H+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O=P([O-])([O-])c4cc(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)ccc4,"InChI=1/C22H18N5O16PS4.5H3N.H2/c23-19-18-10(7-17(48(41,42)43)21(22(18)28)27-24-11-2-1-3-12(8-11)44(29,30)31)6-16(47(38,39)40)20(19)26-25-14-9-13(45(32,33)34)4-5-15(14)46(35,36)37;;;;;;/h1-9,28H,23H2,(H2,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);5*1H3;1H/q;;;;;;+1/p-1",C22H18N5O16PS4.5H3N,,,,,,QCJMJYGGYDQEIH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.180,281-623-7,84000-67-9,2-[[4-[(2-cyano-3-nitrophenyl)azo]-m-tolyl](2-cyanoethyl)amino]ethyl acetate,2-[(2-cyanoethyl){4-[(2-cyano-3-nitrophenyl)diazenyl]-3-methylphenyl}amino]ethyl acetate,CC(=O)OCCN(CCC#N)c2ccc(N=Nc1cccc(c1C#N)[N+]([O-])=O)c(C)c2,CC(=O)OCCN(CCC#N)c2ccc(N=Nc1cccc(c1C#N)[N+]([O-])=O)c(C)c2,"InChI=1/C21H20N6O4/c1-15-13-17(26(10-4-9-22)11-12-31-16(2)28)7-8-19(15)24-25-20-5-3-6-21(27(29)30)18(20)14-23/h3,5-8,13H,4,10-12H2,1-2H3",C21H20N6O4,,,,,,UUCVILFMYZKIOH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.918,279-134-9,79330-84-0,"Tetradecyl 4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannadocosanoate","tetradecyl 4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannadocosan-1-oate",CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,"InChI=1/2C16H32O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;2*1-3-5-7-8-6-4-2;/h2*19H,2-15H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC48H96O4S2Sn/c1-5-9-13-17-21-23-25-27-29-31-33-37-41-51-47(49)45-53-55(43-39-35-19-15-11-7-3,44-40-36-20-16-12-8-4)54-46-48(50)52-42-38-34-32-30-28-26-24-22-18-14-10-6-2/h5-46H2,1-4H3",C48H96O4S2Sn,,,,,,GFISNEOJVVUFMW-UHFFFAOYSA-L,,,,,,,,,,,
100.071.924,279-141-7,79392-36-2,Ammonium 2-amino-5-(4-cyclohexylphenoxy)benzenesulphonate,ammonium 2-amino-5-(4-cyclohexylphenoxy)benzenesulfonate,[NH4+].Nc1ccc(Oc2ccc(cc2)C3CCCCC3)cc1S(=O)(=O)[O-],[NH4+].Nc1ccc(Oc2ccc(cc2)C3CCCCC3)cc1S(=O)(=O)[O-],"InChI=1/C18H21NO4S.H3N/c19-17-11-10-16(12-18(17)24(20,21)22)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13;/h6-13H,1-5,19H2,(H,20,21,22);1H3",C18H21NO4S.H3N,,,,,,KHLUUESJOUMEIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.925,279-142-2,79392-37-3,"N-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]acrylamide","N-[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)phenyl]acrylamide",CC1=NN(C(=O)C1)c2ccc(NC(=O)C=C)cc2,CC1=NN(C(=O)C1)c2ccc(NC(=O)C=C)cc2,"InChI=1/C13H13N3O2/c1-3-12(17)14-10-4-6-11(7-5-10)16-13(18)8-9(2)15-16/h3-7H,1,8H2,2H3,(H,14,17)",C13H13N3O2,,,,,,MTPRPDLAMYHMGE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.926,279-143-8,79392-38-4,"4-amino-4'-[[(decyloxy)carbonyl]amino]-3',6-dimethyl[1,1'-biphenyl]-3-sulphonic acid","4-amino-4'-{[(decyloxy)carbonyl]amino}-3',6-dimethylbiphenyl-3-sulfonic acid",CCCCCCCCCCOC(=O)Nc1ccc(cc1C)c2cc(c(N)cc2C)S(=O)(=O)O,CCCCCCCCCCOC(=O)Nc1ccc(cc1C)c2cc(c(N)cc2C)S(=O)(=O)O,"InChI=1/C25H36N2O5S/c1-4-5-6-7-8-9-10-11-14-32-25(28)27-23-13-12-20(15-19(23)3)21-17-24(33(29,30)31)22(26)16-18(21)2/h12-13,15-17H,4-11,14,26H2,1-3H3,(H,27,28)(H,29,30,31)",C25H36N2O5S,,,,,,GYIBPCWQWWYWAL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.927,279-144-3,79392-39-5,5-amino-8-anilinonaphthalene-1-sulphonic acid,5-amino-8-anilinonaphthalene-1-sulfonic acid,Nc1ccc(Nc2ccccc2)c3c(cccc13)S(=O)(=O)O,Nc1ccc(Nc2ccccc2)c3c(cccc13)S(=O)(=O)O,"InChI=1/C16H14N2O3S/c17-13-9-10-14(18-11-5-2-1-3-6-11)16-12(13)7-4-8-15(16)22(19,20)21/h1-10,18H,17H2,(H,19,20,21)",C16H14N2O3S,,,,,,FYTSYYSQBOPRFL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.928,279-145-9,79392-40-8,3-(2-amino-4-methylphenoxy)propanesulphonic acid,3-(2-amino-4-methylphenoxy)propane-1-sulfonic acid,Cc1ccc(OCCCS(=O)(=O)O)c(N)c1,Cc1ccc(OCCCS(=O)(=O)O)c(N)c1,"InChI=1/C10H15NO4S/c1-8-3-4-10(9(11)7-8)15-5-2-6-16(12,13)14/h3-4,7H,2,5-6,11H2,1H3,(H,12,13,14)",C10H15NO4S,,,,,,XPVVBMXZTSOIQD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.934,279-152-7,79416-54-9,Sodium dihydrogen triacetate,sodium dihydrogen triacetate,[Na+].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Na+].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Na/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+1/p-3",C2H4O2.1/3Na,,,,,,JAIXVZXCGDGGNB-UHFFFAOYSA-K,,,,,,,,,,,
100.071.936,279-154-8,79419-72-0,"N-cyclohexylbutane-1,4-diamine","N-cyclohexylbutane-1,4-diamine",NCCCCNC1CCCCC1,NCCCCNC1CCCCC1,"InChI=1/C10H22N2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h10,12H,1-9,11H2",C10H22N2,,,,,,XXCZIZBMFPDINL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.809,281-214-3,83898-07-1,9-octadecenylguanidine monohydrochloride,1-octadec-9-en-1-ylguanidine hydrochloride,Cl.NC(=N)NCCCCCCCCC=CCCCCCCCC,Cl.NC(=N)NCCCCCCCCC=CCCCCCCCC,"InChI=1/C19H39N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h9-10H,2-8,11-18H2,1H3,(H4,20,21,22);1H",C19H39N3.ClH,,,,,,ZWBBBGYIGHZAIS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.810,281-215-9,83898-08-2,"2,5,8,11-tetraazadodecanediamidine dihydrochloride","N,N'''-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]diguanidine dihydrochloride",Cl.Cl.NC(=N)NCCNCCNCCNC(=N)N,Cl.Cl.NC(=N)NCCNCCNCCNC(=N)N,"InChI=1/C8H22N8.2ClH/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12;;/h13-14H,1-6H2,(H4,9,10,15)(H4,11,12,16);2*1H",C8H22N8.2ClH,,,,,,ZCGUQDUPQZKJCV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.815,281-221-1,83898-13-9,a-phenylpiperidine-4-acetonitrile monohydrochloride,phenyl(piperidin-4-yl)acetonitrile hydrochloride,Cl.N#CC(C1CCNCC1)c2ccccc2,Cl.N#CC(C1CCNCC1)c2ccccc2,"InChI=1/C13H16N2.ClH/c14-10-13(11-4-2-1-3-5-11)12-6-8-15-9-7-12;/h1-5,12-13,15H,6-9H2;1H",C13H16N2.ClH,,,,,,WRDAZTDNMRJELV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.823,281-230-0,83898-21-9,4-(3-phenylpropyl)pyridine-2-carboxylic acid,4-(3-phenylpropyl)pyridine-2-carboxylic acid,OC(=O)c1cc(CCCc2ccccc2)ccn1,OC(=O)c1cc(CCCc2ccccc2)ccn1,"InChI=1/C15H15NO2/c17-15(18)14-11-13(9-10-16-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,18)",C15H15NO2,,,,,,DWROTCRJYBGTDY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.824,281-231-6,83898-22-0,"Diammonium 7-hydroxy-8-(phenylazo)naphthalene-1,3-disulphonate","diammonium 7-hydroxy-8-(phenyldiazenyl)naphthalene-1,3-disulfonate",[NH4+].[NH4+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O,[NH4+].[NH4+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O,"InChI=1/C16H12N2O7S2.2H3N/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);2*1H3",C16H12N2O7S2.2H3N,,,,,,QBGCZHBVKOUITF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.365,281-828-1,84030-53-5,"Decyl hydrogen sulphate, compound with 4,4'-carbonimidoylbis[N,N-dimethylaniline] (1:1)","decyl hydrogen sulfate - 4,4'-carbonimidoylbis(N,N-dimethylaniline) (1:1)",CCCCCCCCCCOS(=O)(=O)O.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,CCCCCCCCCCOS(=O)(=O)O.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,"InChI=1/C17H21N3.C10H22O4S/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h5-12,18H,1-4H3;2-10H2,1H3,(H,11,12,13)",C17H21N3.C12H26O4S,,,,,,IMQDQZYZNVIZOL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.547,268-822-4,68141-00-4,(2-hydroxyethyl)ammonium hydroxyacetate,2-hydroxyethanaminium glycolate,[NH3+]CCO.OCC(=O)[O-],[NH3+]CCO.OCC(=O)[O-],"InChI=1/C2H7NO.C2H4O3/c3-1-2-4;3-1-2(4)5/h4H,1-3H2;3H,1H2,(H,4,5)",C2H7NO.C2H4O3,,,,,,PSHPVIWZSIVVBI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.552,268-828-7,68141-06-0,18-phenyloctadecanol,18-phenyloctadecan-1-ol,OCCCCCCCCCCCCCCCCCCc1ccccc1,OCCCCCCCCCCCCCCCCCCc1ccccc1,"InChI=1/C24H42O/c25-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h15,17-18,21-22,25H,1-14,16,19-20,23H2",C24H42O,,,,,,LBVYOCXVSZXQQN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.559,268-836-0,68141-14-0,5-ethyl-2-methylnonan-1-al,5-ethyl-2-methylnonanal,CCCCC(CC)CCC(C)C=O,CCCCC(CC)CCC(C)C=O,"InChI=1/C12H24O/c1-4-6-7-12(5-2)9-8-11(3)10-13/h10-12H,4-9H2,1-3H3",C12H24O,,,,,,VITZPKQAMWMVFA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.560,268-837-6,68141-15-1,(Z)-dodec-3-en-1-al,dodec-3-enal,CCCCCCCC\\C=C/CC=O,CCCCCCCC\C=C/CC=O,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,12H,2-8,11H2,1H3",C12H22O,,,,,,HBBONAOKVLYWBI-KTKRTIGZSA-N,,,,,,,,,,,
100.062.569,268-847-0,68141-24-2,"3-(5,5-dimethyl-6-methylenebicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol","3-(5,5-dimethyl-6-methylenebicyclo[2.2.1]hept-2-yl)cyclohexanol",CC1(C)C2CC(C3CCCC(O)C3)C(C2)C1=C,CC1(C)C2CC(C3CCCC(O)C3)C(C2)C1=C,"InChI=1/C16H26O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h11-15,17H,1,4-9H2,2-3H3",C16H26O,,,,,,WAOIYASNEPKFIG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.573,268-851-2,68143-28-2,Cyclohexylhydrazinium hydrogen sulphate,cyclohexyldiazanium hydrogen sulfate,N[NH2+]C1CCCCC1.[O-]S(=O)(=O)[O-],N[NH2+]C1CCCCC1.[O-]S(=O)(=O)[O-],"InChI=1/C6H14N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h6,8H,1-5,7H2;(H2,1,2,3,4)/p-1",C6H14N2.xH2O4S,,,,,,HYGTVVBJPFJRKV-UHFFFAOYSA-M,,,,,,,,,,,
100.062.574,268-852-8,68143-29-3,Isopropylhydrazine sulphate,isopropylhydrazine sulfate,CC(C)NN.OS(=O)(=O)O,CC(C)NN.OS(=O)(=O)O,"InChI=1/C3H10N2.H2O4S/c1-3(2)5-4;1-5(2,3)4/h3,5H,4H2,1-2H3;(H2,1,2,3,4)",C3H10N2.xH2O4S,,,,,,PECRFPZAFZIMEN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.581,268-860-1,68153-01-5,Naphthalenesulfonic acids,naphthalene-1-sulfonic acid,OS(=O)(=O)c1cccc2ccccc12,OS(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)",-,,,,,,PSZYNBSKGUBXEH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.339,275-196-6,71109-09-6,4-cyclohexyl-a-methylnaphthalene-1-acetic acid,2-(4-cyclohexyl-1-naphthyl)propanoic acid,CC(C(=O)O)c1ccc(C2CCCCC2)c3ccccc13,CC(C(=O)O)c1ccc(C2CCCCC2)c3ccccc13,"InChI=1/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)",C19H22O2,,,,,,VZUGVMQFWFVFBX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.342,275-199-2,71113-22-9,"2,2'-methylenebis[4-(1-methyl-1-phenylethyl)phenol]","2,2'-methylenebis[4-(1-methyl-1-phenylethyl)phenol]",CC(C)(c1ccccc1)c2ccc(O)c(Cc3cc(ccc3O)C(C)(C)c4ccccc4)c2,CC(C)(c1ccccc1)c2ccc(O)c(Cc3cc(ccc3O)C(C)(C)c4ccccc4)c2,"InChI=1/C31H32O2/c1-30(2,24-11-7-5-8-12-24)26-15-17-28(32)22(20-26)19-23-21-27(16-18-29(23)33)31(3,4)25-13-9-6-10-14-25/h5-18,20-21,32-33H,19H2,1-4H3",C31H32O2,,,,,,FXSDWJLBJPYRKD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.343,275-200-6,71113-23-0,"2,2'-methylenebis[4,6-bis(1-methyl-1-phenylethyl)phenol]","2,2'-methylenebis[4,6-bis(1-methyl-1-phenylethyl)phenol]",CC(C)(c1ccccc1)c2cc(Cc3cc(cc(c3O)C(C)(C)c4ccccc4)C(C)(C)c5ccccc5)c(O)c(c2)C(C)(C)c6ccccc6,CC(C)(c1ccccc1)c2cc(Cc3cc(cc(c3O)C(C)(C)c4ccccc4)C(C)(C)c5ccccc5)c(O)c(c2)C(C)(C)c6ccccc6,"InChI=1/C49H52O2/c1-46(2,36-21-13-9-14-22-36)40-30-34(44(50)42(32-40)48(5,6)38-25-17-11-18-26-38)29-35-31-41(47(3,4)37-23-15-10-16-24-37)33-43(45(35)51)49(7,8)39-27-19-12-20-28-39/h9-28,30-33,50-51H,29H2,1-8H3",C49H52O2,,,,,,BDZGHYNUCXZCMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.352,275-210-0,71130-19-3,Butyl 6-chlorohexanoate,butyl 6-chlorohexanoate,CCCCOC(=O)CCCCCCl,CCCCOC(=O)CCCCCCl,"InChI=1/C10H19ClO2/c1-2-3-9-13-10(12)7-5-4-6-8-11/h2-9H2,1H3",C10H19ClO2,,,,,,ZWBAKKBXJFZDLB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.360,275-218-4,71141-89-4,"N-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethyl]dodecanamide","N-[2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]dodecanamide",CCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCC,CCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCC,"InChI=1/C28H55N3O/c1-3-5-7-9-11-13-15-17-19-21-27-29-23-25-31(27)26-24-30-28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,30,32)",C28H55N3O,,,,,,HGHDDUWCTTUOMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.484,281-958-9,84074-45-3,"Oxalic acid, sodium zirconium salt",-,[Na+].[Zr+2].[O-]C(=O)C(=O)[O-],[Na+].[Zr+2].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.Na.Zr/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;+1;+2/p-2",C2H2O4.xNa.xZr,,,,,,PJYQXVYXURTAOZ-UHFFFAOYSA-L,,,,,,,,,,,
100.076.125,283-768-1,84712-77-6,"6-chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine","6-chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine",CCNc1nc(Cl)nc(NC2CCCCC2)n1,CCNc1nc(Cl)nc(NC2CCCCC2)n1,"InChI=1/C11H18ClN5/c1-2-13-10-15-9(12)16-11(17-10)14-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,13,14,15,16,17)",C11H18ClN5,,,,,,LSBYYJMCRRFQRA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.134,283-778-6,84712-88-9,2-(acetamido)-4-[(2-hydroxyethyl)sulphonyl]benzoic acid,2-acetamido-4-[(2-hydroxyethyl)sulfonyl]benzoic acid,CC(=O)Nc1cc(ccc1C(=O)O)S(=O)(=O)CCO,CC(=O)Nc1cc(ccc1C(=O)O)S(=O)(=O)CCO,"InChI=1/C11H13NO6S/c1-7(14)12-10-6-8(19(17,18)5-4-13)2-3-9(10)11(15)16/h2-3,6,13H,4-5H2,1H3,(H,12,14)(H,15,16)",C11H13NO6S,,,,,,YGPJTGQFHGCTNC-UHFFFAOYSA-N,,,,,,,,,,,
100.046.954,251-665-0,33744-19-3,2-propylisonicotinonitrile,2-propylisonicotinonitrile,CCCc1cc(ccn1)C#N,CCCc1cc(ccn1)C#N,"InChI=1/C9H10N2/c1-2-3-9-6-8(7-10)4-5-11-9/h4-6H,2-3H2,1H3",C9H10N2,,,,,,BYKWSKWKQONOOH-UHFFFAOYSA-N,,,,,,,,,,,
100.046.965,251-677-6,33790-67-9,Calcium pentafluoroaluminate,calcium pentafluoroaluminate(2-),[Ca+2].F[Al-2](F)(F)(F)F,[Ca+2].F[Al-2](F)(F)(F)F,"InChI=1/Al.Ca.5FH/h;;5*1H/q+3;+2;;;;;/p-5/rAlF5.Ca/c2-1(3,4,5)6;/q-2;+2",AlF5.Ca,,,,,,VIOPHZQGFVDCKO-UHFFFAOYSA-I,,,,,,,,,,,
100.046.966,251-678-1,33791-58-1,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl acrylate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yl acrylate",C=CC(=O)OC1C=CC2C3CCC(C3)C12,C=CC(=O)OC1C=CC2C3CCC(C3)C12,"InChI=1/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,5-6,8-11,13H,1,3-4,7H2",C13H16O2,,,,,,ISRJTGUYHVPAOR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.971,251-683-9,33809-52-8,2-hydroxy-4-methylvalerophenone,2-hydroxy-4-methyl-1-phenylpentan-1-one,CC(C)CC(O)C(=O)c1ccccc1,CC(C)CC(O)C(=O)c1ccccc1,"InChI=1/C12H16O2/c1-9(2)8-11(13)12(14)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3",C12H16O2,,,,,,JFQYMWVEDFSQBG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.973,251-686-5,33814-34-5,Dioctyl glutarate,dioctyl glutarate,CCCCCCCCOC(=O)CCCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CCCC(=O)OCCCCCCCC,"InChI=1/C21H40O4/c1-3-5-7-9-11-13-18-24-20(22)16-15-17-21(23)25-19-14-12-10-8-6-4-2/h3-19H2,1-2H3",C21H40O4,,,,,,RXJJVYBGRFLCOX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.977,251-690-7,33820-53-0,Isopropalin,"4-isopropyl-2,6-dinitro-N,N-dipropylaniline",CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-],CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-],"InChI=1/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3",C15H23N3O4,,,,,,NEKOXWSIMFDGMA-UHFFFAOYSA-N,,,,,,,,,,,
100.046.979,251-692-8,33832-98-3,o-(hydroxymethyl)benzamide,2-(hydroxymethyl)benzamide,NC(=O)c1ccccc1CO,NC(=O)c1ccccc1CO,"InChI=1/C8H9NO2/c9-8(11)7-4-2-1-3-6(7)5-10/h1-4,10H,5H2,(H2,9,11)",C8H9NO2,,,,,,RULWBFLPUAFFGY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.984,251-698-0,33844-22-3,2-nitro-p-anisamide,4-methoxy-2-nitrobenzamide,COc1ccc(C(=O)N)c(c1)[N+](=O)[O-],COc1ccc(C(=O)N)c(c1)[N+](=O)[O-],"InChI=1/C8H8N2O4/c1-14-5-2-3-6(8(9)11)7(4-5)10(12)13/h2-4H,1H3,(H2,9,11)",C8H8N2O4,,,,,,QBDIKLOJLSJNTM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.987,251-702-0,33860-91-2,"6,14-dichloropyranthrene-8,16-dione","6,14-dichloropyranthrene-8,16-dione",Clc1cc2C(=O)c3ccccc3c4cc5c(Cl)cc6C(=O)c7ccccc7c8cc1c(c24)c5c68,Clc1cc2C(=O)c3ccccc3c4cc5c(Cl)cc6C(=O)c7ccccc7c8cc1c(c24)c5c68,InChI=1/C30H12Cl2O2/c31-23-12-22-26-18(14-6-2-4-8-16(14)30(22)34)10-20-24(32)11-21-25-17(9-19(23)28(26)27(20)25)13-5-1-3-7-15(13)29(21)33/h1-12H,C30H12Cl2O2,,,,,,JZVDCVJKBDSRLT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.708,277-802-4,74292-78-7,N-(N-glycylglycyl)-3-phenyl-DL-alanine,glycylglycyl-L-phenylalanine,NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C13H17N3O4/c14-7-11(17)15-8-12(18)16-10(13(19)20)6-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,15,17)(H,16,18)(H,19,20)",C13H17N3O4,,,,,,KAJAOGBVWCYGHZ-JTQLQIEISA-N,,,,,,,,,,,
100.070.716,277-811-3,74299-76-6,"1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)-1-methylvinyl]-1H-imidazolium nitrate","3-{2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)-1-methylvinyl}-1H-imidazol-3-ium nitrate",C\\C(=C(/OCCOc1ccc(Cl)cc1)\\c2ccc(Cl)cc2Cl)\\[n+]3cc[nH]c3.[O-][N+](=O)[O-],C\C(=C(/OCCOc1ccc(Cl)cc1)\c2ccc(Cl)cc2Cl)\[n+]3cc[nH]c3.[O-][N+](=O)[O-],"InChI=1/C20H17Cl3N2O2.NO3/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17;2-1(3)4/h2-9,12-13H,10-11H2,1H3;/q;-1/p+1",C20H17Cl3N2O2.HNO3,,,,,,KEJVYRJGXDINQC-RANVTSCRSA-O,,,,,,,,,,,
100.070.722,277-818-1,74327-29-0,4-oxononan-1-al,4-oxononanal,CCCCCC(=O)CCC=O,CCCCCC(=O)CCC=O,"InChI=1/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h8H,2-7H2,1H3",C9H16O2,,,,,,MGOKSQNXXRPCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.725,277-821-8,74332-62-0,"4-amino-N,N-diethylaniline sulphite","N,N-diethylbenzene-1,4-diamine sulfite",CCN(CC)c1ccc(N)cc1.OS(=O)O,CCN(CC)c1ccc(N)cc1.OS(=O)O,"InChI=1/C10H16N2.H2O3S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-4(2)3/h5-8H,3-4,11H2,1-2H3;(H2,1,2,3)",C10H16N2.xH2O3S,,,,,,FULOTKQZFAERET-UHFFFAOYSA-N,,,,,,,,,,,
100.070.077,277-108-1,72939-54-9,"Disodium dihydrogen 4,4'-bis[[5-[[5-(aminosulphonyl)-2-hydroxyphenyl]azo]-1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-3,3'-dicarboxylate","disodium dihydrogen 4,4'-bis({6-anilino-1-hydroxy-5-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-sulfonato-2-naphthyl}diazenyl)biphenyl-3,3'-dicarboxylate",[H+].[H+].[Na+].[Na+].NS(=O)(=O)c%10cc(N=Nc8c9cc(c(N=Nc1ccc(cc1C([O-])=O)c6ccc(N=Nc5c(cc4c(ccc(Nc2ccccc2)c4N=Nc3cc(ccc3O)S(N)(=O)=O)c5O)S([O-])(=O)=O)c(c6)C([O-])=O)c(O)c9ccc8Nc7ccccc7)S([O-])(=O)=O)c(O)cc%10,[H+].[H+].[Na+].[Na+].NS(=O)(=O)c%10cc(N=Nc8c9cc(c(N=Nc1ccc(cc1C([O-])=O)c6ccc(N=Nc5c(cc4c(ccc(Nc2ccccc2)c4N=Nc3cc(ccc3O)S(N)(=O)=O)c5O)S([O-])(=O)=O)c(c6)C([O-])=O)c(O)c9ccc8Nc7ccccc7)S([O-])(=O)=O)c(O)cc%10,"InChI=1/C58H42N12O18S4.2Na.2H2/c59-89(79,80)33-13-21-47(71)45(25-33)65-67-51-37-27-49(91(83,84)85)53(55(73)35(37)15-19-43(51)61-31-7-3-1-4-8-31)69-63-41-17-11-29(23-39(41)57(75)76)30-12-18-42(40(24-30)58(77)78)64-70-54-50(92(86,87)88)28-38-36(56(54)74)16-20-44(62-32-9-5-2-6-10-32)52(38)68-66-46-26-34(90(60,81)82)14-22-48(46)72;;;;/h1-28,61-62,71-74H,(H,75,76)(H,77,78)(H2,59,79,80)(H2,60,81,82)(H,83,84,85)(H,86,87,88);;;2*1H/q;4*+1/p-4",C58H42N12O18S4.2Na,,,,,,NGHXLSGIWRHBRS-UHFFFAOYSA-L,,,,,,,,,,,
100.070.080,277-111-8,72939-63-0,Allyl non-2-ynoate,allyl non-2-ynoate,CCCCCCC#CC(=O)OCC=C,CCCCCCC#CC(=O)OCC=C,"InChI=1/C12H18O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-8,11H2,1H3",C12H18O2,,,,,,LBOWPISEXWHMQT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.082,277-113-9,72939-67-4,6-amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methylnicotinonitrile,6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]-2-{[3-(4-hydroxybutoxy)propyl]amino}-4-methylnicotinonitrile,Nc2nc(NCCCOCCCCO)c(C#N)c(C)c2N=Nc1ccc(cc1Cl)[N+]([O-])=O,Nc2nc(NCCCOCCCCO)c(C#N)c(C)c2N=Nc1ccc(cc1Cl)[N+]([O-])=O,"InChI=1/C20H24ClN7O4/c1-13-15(12-22)20(24-7-4-10-32-9-3-2-8-29)25-19(23)18(13)27-26-17-6-5-14(28(30)31)11-16(17)21/h5-6,11,29H,2-4,7-10H2,1H3,(H3,23,24,25)",C20H24ClN7O4,,,,,,VFCJEFOSAGTGOU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.088,277-120-7,72953-51-6,1-amino-2-[2-(dibromophenoxy)ethoxy]-4-hydroxyanthraquinone,"1-amino-2-[2-(2,3-dibromophenoxy)ethoxy]-4-hydroxy-9,10-anthraquinone",Nc1c(OCCOc2cccc(Br)c2Br)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(OCCOc2cccc(Br)c2Br)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H15Br2NO5/c23-13-6-3-7-15(19(13)24)29-8-9-30-16-10-14(26)17-18(20(16)25)22(28)12-5-2-1-4-11(12)21(17)27/h1-7,10,26H,8-9,25H2",C22H15Br2NO5,,,,,,FCALKKFJQIDADI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.089,277-121-2,72953-52-7,1-amino-2-[2-(bromophenoxy)ethoxy]-4-hydroxyanthraquinone,"1-amino-2-[2-(2-bromophenoxy)ethoxy]-4-hydroxy-9,10-anthraquinone",Nc1c(OCCOc2ccccc2Br)cc(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(OCCOc2ccccc2Br)cc(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C22H16BrNO5/c23-14-7-3-4-8-16(14)28-9-10-29-17-11-15(25)18-19(20(17)24)22(27)13-6-2-1-5-12(13)21(18)26/h1-8,11,25H,9-10,24H2",C22H16BrNO5,,,,,,VEWQTMPECVHJAI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.476,269-845-2,68337-15-5,"4-(1H-1,2,4-triazol-1-yl)phenol","4-(1H-1,2,4-triazol-1-yl)phenol",Oc1ccc(cc1)n2cncn2,Oc1ccc(cc1)n2cncn2,"InChI=1/C8H7N3O/c12-8-3-1-7(2-4-8)11-6-9-5-10-11/h1-6,12H",C8H7N3O,,,,,,ZOPIBCDDKMAEII-UHFFFAOYSA-N,,,,,,,,,,,
100.063.486,269-856-2,68359-57-9,4-fluoro-3-phenoxybenzaldehyde,4-fluoro-3-phenoxybenzaldehyde,Fc1ccc(C=O)cc1Oc2ccccc2,Fc1ccc(C=O)cc1Oc2ccccc2,InChI=1/C13H9FO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-9H,C13H9FO2,,,,,,JDICMOLUAHZVDS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.495,269-866-7,68368-35-4,"Barium bis[2,5-dichloro-3-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]","barium bis{3,6-dichloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate}",[Ba+2].Clc3c(C)cc(Cl)c(c3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O.[O-]S(=O)(=O)c3c(Cl)cc(C)c(Cl)c3N=Nc1c2ccccc2ccc1O,[Ba+2].Clc3c(C)cc(Cl)c(c3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O.[O-]S(=O)(=O)c3c(Cl)cc(C)c(Cl)c3N=Nc1c2ccccc2ccc1O,"InChI=1/2C17H12Cl2N2O4S.Ba/c2*1-9-8-12(18)17(26(23,24)25)16(14(9)19)21-20-15-11-5-3-2-4-10(11)6-7-13(15)22;/h2*2-8,22H,1H3,(H,23,24,25);/q;;+2/p-2",C17H12Cl2N2O4S.1/2Ba,,,,,,KEUUBWBHPXWNDR-UHFFFAOYSA-L,,,,,,,,,,,
100.074.187,281-631-0,84000-74-8,"2-tert-butyl-4,6-dinitrophenol, compound with methylamine (1:1)","2-tert-butyl-4,6-dinitrophenol - methanamine (1:1)",CN.CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],CN.CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5.CH5N/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17;1-2/h4-5,13H,1-3H3;2H2,1H3",C10H12N2O5.CH5N,,,,,,TVZLWEAKUQLGNV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.192,281-636-8,84000-80-6,"3-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate","3-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",[O-]S(=O)(=O)OC.CN(Cc1ccccc1)c2ccc(cc2)N=N\\C3=N\\[NH+](C)CN3C,[O-]S(=O)(=O)OC.CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C,"InChI=1/C18H22N6.CH4O4S/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;1-5-6(2,3)4/h4-12H,13-14H2,1-3H3;1H3,(H,2,3,4)",C18H21N6.CH3O4S,,,,,,OOGUHHYHMMQXKH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.440,284-114-8,84787-73-5,[phthaloylbis(oxy)]bis[dibutyl(octyloxy)stannane],"[1,2-phenylenebis(carbonyloxy)]bis[dibutyl(octyloxy)stannane]",CCCCCCCCO[Sn](CCCC)(CCCC)OC(=O)c1ccccc1C(=O)O[Sn](CCCC)(CCCC)OCCCCCCCC,CCCCCCCCO[Sn](CCCC)(CCCC)OC(=O)c1ccccc1C(=O)O[Sn](CCCC)(CCCC)OCCCCCCCC,"InChI=1/C8H6O4.2C8H17O.4C4H9.2Sn/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-2-3-4-5-6-7-8-9;4*1-3-4-2;;/h1-4H,(H,9,10)(H,11,12);2*2-8H2,1H3;4*1,3-4H2,2H3;;/q;2*-1;;;;;2*+2/p-2/rC40H74O6Sn2/c1-7-13-19-21-23-27-31-43-47(33-15-9-3,34-16-10-4)45-39(41)37-29-25-26-30-38(37)40(42)46-48(35-17-11-5,36-18-12-6)44-32-28-24-22-20-14-8-2/h25-26,29-30H,7-24,27-28,31-36H2,1-6H3",C40H74O6Sn2,,,,,,FHHCAYOHUSYAQK-UHFFFAOYSA-L,,,,,,,,,,,
100.076.443,284-117-4,84787-76-8,Dodecyl bis(4-nonylphenyl) phosphite,dodecyl bis(4-nonylphenyl) phosphite,CCCCCCCCCCCCOP(Oc1ccc(CCCCCCCCC)cc1)Oc2ccc(CCCCCCCCC)cc2,CCCCCCCCCCCCOP(Oc1ccc(CCCCCCCCC)cc1)Oc2ccc(CCCCCCCCC)cc2,"InChI=1/C42H71O3P/c1-4-7-10-13-16-17-18-21-24-27-38-43-46(44-41-34-30-39(31-35-41)28-25-22-19-14-11-8-5-2)45-42-36-32-40(33-37-42)29-26-23-20-15-12-9-6-3/h30-37H,4-29,38H2,1-3H3",C42H71O3P,,,,,,YWOPISHOKCSBRA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.448,284-123-7,84787-81-5,Ethyl N2-[(tert-butoxy)carbonyl]-L-argininate,ethyl N~2~-(tert-butoxycarbonyl)-L-argininate,CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)OC(C)(C)C,CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)OC(C)(C)C,"InChI=1/C13H26N4O4/c1-5-20-10(18)9(7-6-8-16-11(14)15)17-12(19)21-13(2,3)4/h9H,5-8H2,1-4H3,(H,17,19)(H4,14,15,16)",C11H20N2O5,,,,,,JKZMXQZMRLNPJJ-VIFPVBQESA-N,,,,,,,,,,,
100.076.451,284-126-3,84787-85-9,N-[[4-(chloromethyl)phenyl]methyl]acrylamide,N-[4-(chloromethyl)benzyl]acrylamide,ClCc1ccc(CNC(=O)C=C)cc1,ClCc1ccc(CNC(=O)C=C)cc1,"InChI=1/C11H12ClNO/c1-2-11(14)13-8-10-5-3-9(7-12)4-6-10/h2-6H,1,7-8H2,(H,13,14)",C11H12ClNO,,,,,,KBMXUXBJBNFPRO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.452,284-127-9,84787-86-0,Bis(2-methylpropyl) 4-(dimethylamino)phthalate,diisobutyl 4-(dimethylamino)phthalate,CC(C)COC(=O)c1ccc(cc1C(=O)OCC(C)C)N(C)C,CC(C)COC(=O)c1ccc(cc1C(=O)OCC(C)C)N(C)C,"InChI=1/C18H27NO4/c1-12(2)10-22-17(20)15-8-7-14(19(5)6)9-16(15)18(21)23-11-13(3)4/h7-9,12-13H,10-11H2,1-6H3",C18H27NO4,,,,,,FKRSLRWHBAPVMF-UHFFFAOYSA-N,,,,,,,,,,,
100.076.461,284-137-3,84787-99-5,"2-[[4-(dimethylamino)-2,5-dimethoxyphenyl]azo]-1,3-dimethyl-1H-imidazolium methyl sulphate","2-{[4-(dimethylamino)-2,5-dimethoxyphenyl]diazenyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium methyl sulfate",CN2/C=C\\[NH+](C)C2N=Nc1cc(OC)c(cc1OC)N(C)C.[O-]S(=O)(=O)OC,CN2/C=C\[NH+](C)C2N=Nc1cc(OC)c(cc1OC)N(C)C.[O-]S(=O)(=O)OC,"InChI=1/C15H23N5O2.CH4O4S/c1-18(2)12-10-13(21-5)11(9-14(12)22-6)16-17-15-19(3)7-8-20(15)4;1-5-6(2,3)4/h7-10,15H,1-6H3;1H3,(H,2,3,4)",C15H22N5O2.CH3O4S,,,,,,GIETXTGEHLNCCP-UHFFFAOYSA-N,,,,,,,,,,,
100.076.471,284-148-3,84788-09-0,"1,2,3,4,4a,7,8,8a-octahydro-2,4a,5,8a-tetramethyl-1-naphthol","2,4a,5,8a-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol",CC1CCC2(C)C(=CCCC2(C)C1O)C,CC1CCC2(C)C(=CCCC2(C)C1O)C,"InChI=1/C14H24O/c1-10-7-9-13(3)11(2)6-5-8-14(13,4)12(10)15/h6,10,12,15H,5,7-9H2,1-4H3",C14H24O,,,,,,VCSSFFKXSFZXOA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.472,284-149-9,84788-10-3,"2,2-bis[[(1-oxoheptyl)oxy]methyl]butyl nonan-1-oate","2,2-bis[(heptanoyloxy)methyl]butyl nonanoate",CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC,CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC,"InChI=1/C29H54O6/c1-5-9-12-15-16-19-22-28(32)35-25-29(8-4,23-33-26(30)20-17-13-10-6-2)24-34-27(31)21-18-14-11-7-3/h5-25H2,1-4H3",C29H54O6,,,,,,FMDLYWIFUCEQJI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.733,283-334-1,84604-53-5,4-allyl-2-methoxyphenyl isobutyrate,4-allyl-2-methoxyphenyl 2-methylpropanoate,COc1cc(CC=C)ccc1OC(=O)C(C)C,COc1cc(CC=C)ccc1OC(=O)C(C)C,"InChI=1/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5,7-10H,1,6H2,2-4H3",C14H18O3,,,,,,HWQRDSDZKQARQB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.737,283-338-3,84604-57-9,1-(1-cyclohexen-1-yl)-3-methylbutan-1-one,1-cyclohex-1-en-1-yl-3-methylbutan-1-one,CC(C)CC(=O)C1=CCCCC1,CC(C)CC(=O)C1=CCCCC1,"InChI=1/C11H18O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h6,9H,3-5,7-8H2,1-2H3",C11H18O,,,,,,PSCQQXOOHCMUTM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.739,283-340-4,84604-59-1,(Z)-hex-3-enyl pivalate,hex-3-en-1-yl pivalate,CC\\C=C/CCOC(=O)C(C)(C)C,CC\C=C/CCOC(=O)C(C)(C)C,"InChI=1/C11H20O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h6-7H,5,8-9H2,1-4H3",C11H20O2,,,,,,JGXBXELJDMGEAB-SREVYHEPSA-N,,,,,,,,,,,
100.075.741,283-343-0,84604-61-5,"3,3a,4,5,6,7-hexahydro-1-isopropyl-2H-inden-2-one","3-isopropyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one",CC(C)C1=C2CCCCC2CC1=O,CC(C)C1=C2CCCCC2CC1=O,"InChI=1/C12H18O/c1-8(2)12-10-6-4-3-5-9(10)7-11(12)13/h8-9H,3-7H2,1-2H3",C12H18O,,,,,,ZOCHMVHSIBBHPH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.742,283-344-6,84604-62-6,(Z)-2-(hex-3-enyloxy)-3-methylcyclopent-2-en-1-one,2-(hex-3-en-1-yloxy)-3-methylcyclopent-2-en-1-one,CC\\C=C/CCOC1=C(C)CCC1=O,CC\C=C/CCOC1=C(C)CCC1=O,"InChI=1/C12H18O2/c1-3-4-5-6-9-14-12-10(2)7-8-11(12)13/h4-5H,3,6-9H2,1-2H3",C12H18O2,,,,,,KJWUAEBWOUQMNW-PLNGDYQASA-N,,,,,,,,,,,
100.075.749,283-351-4,84604-69-3,"N,N-dicyclohexylmorpholine-4-carboxamide","N,N-dicyclohexylmorpholine-4-carboxamide",O=C(N(C1CCCCC1)C2CCCCC2)N3CCOCC3,O=C(N(C1CCCCC1)C2CCCCC2)N3CCOCC3,"InChI=1/C17H30N2O2/c20-17(18-11-13-21-14-12-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16H,1-14H2",C17H30N2O2,,,,,,TXQRHCGEVZOPQC-UHFFFAOYSA-N,,,,,,,,,,,
100.077.000,284-731-2,84962-34-5,"5-oxo-DL-proline, compound with ethane-1,2-diamine (2:1)","5-oxo-L-proline - ethane-1,2-diamine (2:1)",NCCN.OC(=O)[C@@H]1CCC(=O)N1.OC(=O)[C@@H]2CCC(=O)N2,NCCN.OC(=O)[C@@H]1CCC(=O)N1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.C2H8N2/c2*7-4-2-1-3(6-4)5(8)9;3-1-2-4/h2*3H,1-2H2,(H,6,7)(H,8,9);1-4H2",C5H7NO3.1/2C2H8N2,,,,,,PNSIWMBERZYGOD-QHTZZOMLSA-N,,,,,,,,,,,
100.068.361,275-220-5,71141-91-8,"N-[2-(4,5-dihydro-2-tridecyl-1H-imidazol-1-yl)ethyl]myristamide","N-[2-(2-tridecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]tetradecanamide",CCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCC,"InChI=1/C32H63N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-33-27-29-35(31)30-28-34-32(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,34,36)",C32H63N3O,,,,,,PAINYZUXWIBACX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.362,275-221-0,71153-74-7,"3,4-dihydro-6-methyl-2H-1-benzothiopyran",6-methylthiochromane,Cc1ccc2SCCCc2c1,Cc1ccc2SCCCc2c1,"InChI=1/C10H12S/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7H,2-3,6H2,1H3",C10H12S,,,,,,DIANRASGHUFPAF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.368,275-227-3,71172-26-4,(4-methoxyphenyl)methyl isobutyrate,4-methoxybenzyl 2-methylpropanoate,COc1ccc(COC(=O)C(C)C)cc1,COc1ccc(COC(=O)C(C)C)cc1,"InChI=1/C12H16O3/c1-9(2)12(13)15-8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3",C12H16O3,,,,,,ZOXXODFRADWDHG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.373,275-233-6,71172-47-9,"a,a-dicyclopropyl-4-methylbenzyl alcohol",dicyclopropyl(4-methylphenyl)methanol,Cc1ccc(cc1)C(O)(C2CC2)C3CC3,Cc1ccc(cc1)C(O)(C2CC2)C3CC3,"InChI=1/C14H18O/c1-10-2-4-11(5-3-10)14(15,12-6-7-12)13-8-9-13/h2-5,12-13,15H,6-9H2,1H3",C14H18O,,,,,,ZLDYBMZGEIJXHG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.375,269-734-9,68310-81-6,"1-(1,1-dimethylethoxy)-1,1-dimethyl-N-(1-methylethyl)silylamine","1-tert-butoxy-N-isopropyl-1,1-dimethylsilanamine",CC(C)N[Si](C)(C)OC(C)(C)C,CC(C)N[Si](C)(C)OC(C)(C)C,"InChI=1/C9H23NOSi/c1-8(2)10-12(6,7)11-9(3,4)5/h8,10H,1-7H3",C9H23NOSi,,,,,,GTFACYSDUJMBOR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.377,269-737-5,68310-83-8,"Formic acid, ammonium copper salt",-,[NH4+].[Cu+].[O-]C=O,[NH4+].[Cu+].[O-]C=O,"InChI=1/CH2O2.Cu.H3N/c2-1-3;;/h1H,(H,2,3);;1H3/q;+1;",CH2O2.xCu.xH3N,,,,,,HKCNOWBWWBIOBF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.477,279-748-7,81367-79-5,Ethyl 4-[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]azo]-3-nitrobenzoate,ethyl 4-({4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl}diazenyl)-3-nitrobenzoate,N#CCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)C(=O)OCC)cc2,N#CCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)C(=O)OCC)cc2,"InChI=1/C20H21N5O5/c1-2-30-20(27)15-4-9-18(19(14-15)25(28)29)23-22-16-5-7-17(8-6-16)24(12-13-26)11-3-10-21/h4-9,14,26H,2-3,11-13H2,1H3",C20H21N5O5,,,,,,ZWCKPXODVQYION-UHFFFAOYSA-N,,,,,,,,,,,
100.072.478,279-749-2,81367-85-3,"3-[[4-[(2,4-dinitrophenyl)azo]phenyl](2-hydroxyethyl)amino]propiononitrile","3-[{4-[(2,4-dinitrophenyl)diazenyl]phenyl}(2-hydroxyethyl)amino]propanenitrile",N#CCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)cc2,N#CCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)cc2,"InChI=1/C17H16N6O5/c18-8-1-9-21(10-11-24)14-4-2-13(3-5-14)19-20-16-7-6-15(22(25)26)12-17(16)23(27)28/h2-7,12,24H,1,9-11H2",C17H16N6O5,,,,,,DUZMRELVADTXFL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.002,277-026-6,72927-84-5,Methyl 2-[[(4-hydroxy-3-methoxyphenyl)methylene]amino]benzoate,methyl 2-[(4-hydroxy-3-methoxybenzylidene)amino]benzoate,Oc1ccc(cc1OC)C=Nc2ccccc2C(=O)OC,Oc1ccc(cc1OC)C=Nc2ccccc2C(=O)OC,"InChI=1/C16H15NO4/c1-20-15-9-11(7-8-14(15)18)10-17-13-6-4-3-5-12(13)16(19)21-2/h3-10,18H,1-2H3",C16H15NO4,,,,,,OZVYKIDWVOPIKR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.005,277-029-2,72927-88-9,"Octahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-one","3,3,5,5-tetramethyloctahydronaphthalen-2(1H)-one",CC1(C)CCCC2CC(=O)C(C)(C)CC12,CC1(C)CCCC2CC(=O)C(C)(C)CC12,"InChI=1/C14H24O/c1-13(2)7-5-6-10-8-12(15)14(3,4)9-11(10)13/h10-11H,5-9H2,1-4H3",C14H24O,,,,,,DGPIAHAFWKJURE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.010,277-035-5,72927-93-6,"Trisodium 1-amino-4-[[3-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-{[3-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2,4,6-trimethyl-5-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)S(=O)(=O)[O-],"InChI=1/C32H26ClN7O11S3.3Na/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-6-4-5-7-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-8-10-17(11-9-16)52(43,44)45;;;/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40);;;/q;3*+1/p-3",C32H26ClN7O11S3.3Na,,,,,,TYYJEJVLHBJPIZ-UHFFFAOYSA-K,,,,,,,,,,,
100.070.021,277-047-0,72928-05-3,3-bicyclo[2.2.1]hept-2-ylidenebutyronitrile,3-bicyclo[2.2.1]hept-2-ylidenebutanenitrile,CC(CC#N)=C2CC1CCC2C1,CC(CC#N)=C2CC1CCC2C1,"InChI=1/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h9-10H,2-4,6-7H2,1H3",C11H15N,,,,,,LCCCGWWVPRIPBC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.381,269-741-7,68310-87-2,"4,4'-[ethylenebis(oxy)]bis[N-(1,3-dimethylbutyl)aniline]","4,4'-[ethane-1,2-diylbis(oxy)]bis[N-(1,3-dimethylbutyl)aniline]",CC(C)CC(C)Nc1ccc(OCCOc2ccc(NC(C)CC(C)C)cc2)cc1,CC(C)CC(C)Nc1ccc(OCCOc2ccc(NC(C)CC(C)C)cc2)cc1,"InChI=1/C26H40N2O2/c1-19(2)17-21(5)27-23-7-11-25(12-8-23)29-15-16-30-26-13-9-24(10-14-26)28-22(6)18-20(3)4/h7-14,19-22,27-28H,15-18H2,1-6H3",C26H40N2O2,,,,,,JYSYQSXGESZDCA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.735,277-832-8,74347-31-2,2-methyl-2-imidazoline hydrogen tartrate,"2-methyl-4,5-dihydro-1H-imidazole 2,3-dihydroxysuccinate (salt)",CC1=NCCN1.OC(C(O)C(=O)O)C(=O)O,CC1=NCCN1.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C4H8N2.C4H6O6/c1-4-5-2-3-6-4;5-1(3(7)8)2(6)4(9)10/h2-3H2,1H3,(H,5,6);1-2,5-6H,(H,7,8)(H,9,10)",C4H8N2.C4H6O6,,,,,,MLTUPVBYXCWMBU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.738,277-835-4,74356-11-9,Iron abietate,"iron(2+) diabieta-7,13-dien-18-oate",[Fe].OC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC\\C(=C/C3=C/C[C@@H]12)C(C)C,[Fe].OC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC\C(=C/C3=C/C[C@@H]12)C(C)C,"InChI=1/C20H30O2.Fe/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+2",C20H30O2.xFe,,,,,,MXIZDAHQPZOGMW-XTICBAGASA-N,,,,,,,,,,,
100.070.739,277-837-5,74356-18-6,Oxydiethylene diricinoleate,oxydiethylene diricinoleate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)[O-].C=COC=C,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].C=COC=C,"InChI=1/2C18H34O3.C4H6O/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-5-4-2/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-4H,1-2H2/p-2",C40H74O7,,,,,,HHIANSNDXSMCLK-GNNYBVKZSA-L,,,,,,,,,,,
100.070.747,277-845-9,74381-61-6,"Naphth[1,2-d]imidazol-8-ol","3H-naphtho[1,2-d]imidazol-8-ol",Oc1ccc2ccc3[nH]cnc3c2c1,Oc1ccc2ccc3[nH]cnc3c2c1,"InChI=1/C11H8N2O/c14-8-3-1-7-2-4-10-11(9(7)5-8)13-6-12-10/h1-6,14H,(H,12,13)",C11H8N2O,,,,,,RPDZLMLGUVJIQG-UHFFFAOYSA-N,,,,,,,,,,,
100.050.776,255-873-2,42530-35-8,"6'-[ethyl(p-tolyl)amino]-2'-(methylphenylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-[ethyl(4-methylphenyl)amino]-2'-[methyl(phenyl)amino]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(cc4C35OC(=O)c6ccccc56)N(C)c7ccccc7)c2,CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(cc4C35OC(=O)c6ccccc56)N(C)c7ccccc7)c2,"InChI=1/C36H30N2O3/c1-4-38(26-16-14-24(2)15-17-26)28-18-20-31-34(23-28)40-33-21-19-27(37(3)25-10-6-5-7-11-25)22-32(33)36(31)30-13-9-8-12-29(30)35(39)41-36/h5-23H,4H2,1-3H3",C36H30N2O3,,,,,,PALATEZPVSTFIX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.777,255-874-8,42533-63-1,1-(bromomethyl)-2-chloro-4-nitrobenzene,1-(bromomethyl)-2-chloro-4-nitrobenzene,[O-][N+](=O)c1ccc(CBr)c(Cl)c1,[O-][N+](=O)c1ccc(CBr)c(Cl)c1,"InChI=1/C7H5BrClNO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2",C7H5BrClNO2,,,,,,MBLOVZIAFQVXIN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.785,255-883-7,42558-73-6,Lead propionate,lead(4+) tetrapropanoate,[Pb].CCC(O)=O,[Pb].CCC(O)=O,"InChI=1/C3H6O2.Pb.2H/c1-2-3(4)5;;;/h2H2,1H3,(H,4,5);;;/q;+4;;/rC3H6O2.H2Pb/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H2/q;+4",C3H6O2.xPb,,,,,,PIZLXMSTAVEDNR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.788,255-886-3,42566-88-1,Sodium 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl hexanoate,-,[Na+].CCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O,[Na+].CCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O,"InChI=1/C12H20O6.Na/c1-4-5-6-7-10(13)17-9(3)12(16)18-8(2)11(14)15;/h8-9H,4-7H2,1-3H3,(H,14,15);/q;+1",C12H20O6.Na,,,,,,AMJZVHHOVFFTOM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.795,255-894-7,42576-02-3,"Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate","methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate",COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],"InChI=1/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3",C14H9Cl2NO5,,,,,,SUSRORUBZHMPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.050.799,255-898-9,42588-37-4,Kinoprene,"prop-2-yn-1-yl 3,7,11-trimethyldodeca-2,4-dienoate",C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C,C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C,"InChI=1/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3",C18H28O2,,,,,,FZRBKIRIBLNOAM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.811,255-911-8,42613-21-8,"Silicic acid, titanium salt",titanium(2+) oxosilanediolate,[Ti+2].[O-][Si](=O)[O-],[Ti+2].[O-][Si](=O)[O-],InChI=1/O3Si.Ti/c1-4(2)3;/q-2;+2,-,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10922,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.811,PFPFHKJPACSNFP-UHFFFAOYSA-N,,,,,,,,,,,
100.050.816,255-917-0,42720-23-0,"Methacrylic acid, monoester with propanediyl (2,2,4-trimethylhexane-1,6-diyl)dicarbamate","2,7,7,9,15,19-hexamethyl-4,13,18-trioxo-3,14,17-trioxa-5,12-diazaicos-19-en-1-yl methacrylate",CC(CCNC(=O)OC(C)COC(=O)C(=C)C)CC(C)(C)CNC(=O)OC(C)COC(=O)C(=C)C,CC(CCNC(=O)OC(C)COC(=O)C(=C)C)CC(C)(C)CNC(=O)OC(C)COC(=O)C(=C)C,"InChI=1/C25H42N2O8/c1-16(2)21(28)32-13-19(6)34-23(30)26-11-10-18(5)12-25(8,9)15-27-24(31)35-20(7)14-33-22(29)17(3)4/h18-20H,1,3,10-15H2,2,4-9H3,(H,26,30)(H,27,31)",C25H42N2O8,,,,,,GWMPUPWCOOCMLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.050.817,255-918-6,42721-99-3,"2-(diphenylacetyl)-1H-indene-1,3(2H)-dione, monosodium salt",-,[Na+].O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O,[Na+].O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O,"InChI=1/C23H16O3.Na/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-14,19-20H;/q;+1",C23H15O3.Na,,,,,,YCKTVRYJMHFIRH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.193,281-637-3,84000-81-7,"1,4-dimethyl-3-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate","3-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium acetate",[O-]C(C)=O.CN(Cc1ccccc1)c2ccc(cc2)N=N\\C3=N\\[NH+](C)CN3C,[O-]C(C)=O.CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C,"InChI=1/C18H22N6.C2H4O2/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;1-2(3)4/h4-12H,13-14H2,1-3H3;1H3,(H,3,4)",C18H21N6.C2H3O2,,,,,,RBIINFBXCYCDKF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.196,281-641-5,84000-84-0,1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium thiocyanate,1-{2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium thiocyanate,[S-]C#N.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3,[S-]C#N.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3,"InChI=1/C22H21N6O2.CHNS/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;2-1-3/h3-13,16H,2,14-15H2,1H3;3H/q+1;/p-1",C22H21N6O2.CNS,,,,,,CGCYCCVWEHZMEL-UHFFFAOYSA-M,,,,,,,,,,,
100.074.208,281-654-6,84002-64-2,"Butane-1,2,3-triyl trinitrate","butane-1,2,3-triyl trinitrate",CC(O[N+](=O)[O-])C(CO[N+](=O)[O-])O[N+](=O)[O-],CC(O[N+](=O)[O-])C(CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C4H7N3O9/c1-3(15-6(10)11)4(16-7(12)13)2-14-5(8)9/h3-4H,2H2,1H3",C4H7N3O9,,,,,,GIFRMMSPDQZIHL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.584,280-965-4,83817-65-6,[4-allyl-2-methoxyphenoxy]dimethoxymethylsilane,[(4-allyl-2-methoxyphenoxy)(dimethoxy)methyl]silane,COc1cc(CC=C)ccc1OC([SiH3])(OC)OC,COc1cc(CC=C)ccc1OC([SiH3])(OC)OC,"InChI=1/C13H20O4Si/c1-5-6-10-7-8-11(12(9-10)14-2)17-13(18,15-3)16-4/h5,7-9H,1,6H2,2-4,18H3",C13H20O4Si,,,,,,KGNVNTYIZAVWGO-UHFFFAOYSA-N,,,,,,,,,,,
100.073.588,280-970-1,83817-69-0,"Methoxymethylbis[(1,1,5-trimethyl-6-heptenyl)oxy]silane","(methoxymethyl){bis[(1,1,5-trimethylhept-6-en-1-yl)oxy]}silane",COC[SiH](OC(C)(C)CCCC(C)C=C)OC(C)(C)CCCC(C)C=C,COC[SiH](OC(C)(C)CCCC(C)C=C)OC(C)(C)CCCC(C)C=C,"InChI=1/C22H44O3Si/c1-10-19(3)14-12-16-21(5,6)24-26(18-23-9)25-22(7,8)17-13-15-20(4)11-2/h10-11,19-20,26H,1-2,12-18H2,3-9H3",C22H44O3Si,,,,,,HNWAWTRNPCYYBU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.612,280-996-3,83833-23-2,"Tetradecyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannadocosanoate","tetradecyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannadocosan-1-oate",CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,"InChI=1/2C16H32O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*19H,2-15H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC56H112O4S2Sn/c1-5-9-13-17-21-25-29-31-33-37-41-45-49-59-55(57)53-61-63(51-47-43-39-35-27-23-19-15-11-7-3,52-48-44-40-36-28-24-20-16-12-8-4)62-54-56(58)60-50-46-42-38-34-32-30-26-22-18-14-10-6-2/h5-54H2,1-4H3",C56H112O4S2Sn,,,,,,SHFPDFWVAJUICV-UHFFFAOYSA-L,,,,,,,,,,,
100.073.618,281-004-1,83833-29-8,"a-cyclopropyl-2,4-dimethylbenzyl alcohol","cyclopropyl(2,4-dimethylphenyl)methanol",Cc1ccc(C(O)C2CC2)c(C)c1,Cc1ccc(C(O)C2CC2)c(C)c1,"InChI=1/C12H16O/c1-8-3-6-11(9(2)7-8)12(13)10-4-5-10/h3,6-7,10,12-13H,4-5H2,1-2H3",C12H16O,,,,,,OWFYESAAHVXGKO-UHFFFAOYSA-N,,,,,,,,,,,
100.073.619,281-005-7,83833-30-1,"[1,4'-bipiperidine]-4'-carboxamide monohydrochloride","1,4'-bipiperidine-4'-carboxamide hydrochloride",Cl.NC(=O)C1(CCNCC1)N2CCCCC2,Cl.NC(=O)C1(CCNCC1)N2CCCCC2,"InChI=1/C11H21N3O.ClH/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14;/h13H,1-9H2,(H2,12,15);1H",C11H21N3O.ClH,,,,,,CTEWZIUZVUFNSY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.620,281-006-2,83833-31-2,N-(4-phenyl-4-piperidylmethyl)formamide,N-[(4-phenylpiperidin-4-yl)methyl]formamide,O=CNCC1(CCNCC1)c2ccccc2,O=CNCC1(CCNCC1)c2ccccc2,"InChI=1/C13H18N2O/c16-11-15-10-13(6-8-14-9-7-13)12-4-2-1-3-5-12/h1-5,11,14H,6-10H2,(H,15,16)",C13H18N2O,,,,,,SRILTGVFXCDKLM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.621,281-007-8,83833-32-3,"2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxolane","2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxolane",CCCC1COC(C)(O1)c2ccc(Cl)cc2Cl,CCCC1COC(C)(O1)c2ccc(Cl)cc2Cl,"InChI=1/C13H16Cl2O2/c1-3-4-10-8-16-13(2,17-10)11-6-5-9(14)7-12(11)15/h5-7,10H,3-4,8H2,1-2H3",C13H16Cl2O2,,,,,,ZOVODRUFYPBAKW-UHFFFAOYSA-N,,,,,,,,,,,
100.072.352,279-611-1,80879-59-0,"1-chloro-2,3-bis(2-methoxyethoxy)-N,N-dimethylallylamine hydrochloride","1-chloro-2,3-bis(2-methoxyethoxy)-N,N-dimethylprop-2-en-1-amine hydrochloride",Cl.COCCO\\C=C(\\OCCOC)/C(Cl)N(C)C,Cl.COCCO\C=C(\OCCOC)/C(Cl)N(C)C,"InChI=1/C11H22ClNO4.ClH/c1-13(2)11(12)10(17-8-6-15-4)9-16-7-5-14-3;/h9,11H,5-8H2,1-4H3;1H",C11H22ClNO4.ClH,,,,,,MZBSYGFDAQWSNX-RRABGKBLSA-N,,,,,,,,,,,
100.072.356,279-615-3,80887-78-1,Dimethyl (4-hydroxyphenyl)malonate,dimethyl (4-hydroxyphenyl)malonate,COC(=O)C(C(=O)OC)c1ccc(O)cc1,COC(=O)C(C(=O)OC)c1ccc(O)cc1,"InChI=1/C11H12O5/c1-15-10(13)9(11(14)16-2)7-3-5-8(12)6-4-7/h3-6,9,12H,1-2H3",C11H12O5,,,,,,LWIPABRAHRZWNP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.358,279-617-4,80900-27-2,"1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonitrile","1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonitrile",N#CN1CCOCCOCCOCCOCC1,N#CN1CCOCCOCCOCCOCC1,InChI=1/C11H20N2O4/c12-11-13-1-3-14-5-7-16-9-10-17-8-6-15-4-2-13/h1-10H2,C11H20N2O4,,,,,,ZXFBJJNPLKHAKE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.362,279-622-1,80912-40-9,Ethyl 4-cyano-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate,ethyl 4-cyano-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)(Nc2ccc(F)cc2)C#N,CCOC(=O)N1CCC(CC1)(Nc2ccc(F)cc2)C#N,"InChI=1/C15H18FN3O2/c1-2-21-14(20)19-9-7-15(11-17,8-10-19)18-13-5-3-12(16)4-6-13/h3-6,18H,2,7-10H2,1H3",C15H18FN3O2,,,,,,RVQMEQKLGGYJNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.001,284-732-8,84962-35-6,"5-oxo-DL-proline, compound with trimethylamine (1:1)","5-oxo-L-proline - N,N-dimethylmethanamine (1:1)",CN(C)C.OC(=O)[C@@H]1CCC(=O)N1,CN(C)C.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C3H9N/c7-4-2-1-3(6-4)5(8)9;1-4(2)3/h3H,1-2H2,(H,6,7)(H,8,9);1-3H3",C5H7NO3.C3H9N,,,,,,YVCDEYNIGFPHCO-DFWYDOINSA-N,,,,,,,,,,,
100.077.005,284-737-5,84962-39-0,"5-oxo-DL-proline, compound with 2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one (1:1)","5-oxo-L-proline - 2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one (1:1)",CN1CC(=O)N=C1N.OC(=O)[C@@H]2CCC(=O)N2,CN1CC(=O)N=C1N.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C5H7NO3.C4H7N3O/c7-4-2-1-3(6-4)5(8)9;1-7-2-3(8)6-4(7)5/h3H,1-2H2,(H,6,7)(H,8,9);2H2,1H3,(H2,5,6,8)",C5H7NO3.C4H7N3O,,,,,,VNJQFFGBEYGRAE-DFWYDOINSA-N,,,,,,,,,,,
100.071.945,279-164-2,79458-68-7,"DL-lysine, compound with S-(carboxymethyl)-L-cysteine (1:1)",N-(carboxymethyl)-L-cysteine - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)CN[C@@H](CS)C(=O)O,NCCCC[C@H](N)C(=O)O.OC(=O)CN[C@@H](CS)C(=O)O,"InChI=1/C6H14N2O2.C5H9NO4S/c7-4-2-1-3-5(8)6(9)10;7-4(8)1-6-3(2-11)5(9)10/h5H,1-4,7-8H2,(H,9,10);3,6,11H,1-2H2,(H,7,8)(H,9,10)",C6H14N2O2.C5H9NO4S,,,,,,CAFFDLLCCJSANI-RVZXSAGBSA-N,,,,,,,,,,,
100.071.949,279-168-4,79495-97-9,"7,16-didecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","7,16-didecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane",CCCCCCCCCCN1CCOCCOCCN(CCCCCCCCCC)CCOCCOCC1,CCCCCCCCCCN1CCOCCOCCN(CCCCCCCCCC)CCOCCOCC1,"InChI=1/C32H66N2O4/c1-3-5-7-9-11-13-15-17-19-33-21-25-35-29-31-37-27-23-34(24-28-38-32-30-36-26-22-33)20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",C32H66N2O4,,,,,,WUHOJKXEIIYUSL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.952,279-172-6,79516-40-8,"2,3,5,6-tetramethylcyclohexane-1,4-diamine","2,3,5,6-tetramethylcyclohexane-1,4-diamine",CC1C(C)C(N)C(C)C(C)C1N,CC1C(C)C(N)C(C)C(C)C1N,"InChI=1/C10H22N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h5-10H,11-12H2,1-4H3",C10H22N2,,,,,,JYKLTPIGDOBKIA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.962,279-183-6,79569-93-0,"Ethyl 2-cyano-4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-butenoate","ethyl 2-cyano-4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)but-2-enoate",CC2(C)C1CCC(C1)C2CC=C(C#N)C(=O)OCC,CC2(C)C1CCC(C1)C2CC=C(C#N)C(=O)OCC,"InChI=1/C16H23NO2/c1-4-19-15(18)12(10-17)6-8-14-11-5-7-13(9-11)16(14,2)3/h6,11,13-14H,4-5,7-9H2,1-3H3",C16H23NO2,,,,,,FZWBEKGFRMVWMK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.966,279-187-8,79570-06-2,"3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acrylonitrile","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acrylonitrile",CC1(C)C2CCC(C2)C1\\C=C\\C#N,CC1(C)C2CCC(C2)C1\C=C\C#N,"InChI=1/C12H17N/c1-12(2)10-6-5-9(8-10)11(12)4-3-7-13/h3-4,9-11H,5-6,8H2,1-2H3",C12H17N,,,,,,OJJBGBXYELHVSF-ONEGZZNKSA-N,,,,,,,,,,,
100.071.968,279-189-9,79570-11-9,"3-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-yl)acrylonitrile","3-(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl)acrylonitrile",CC1(C)CCCC2(C)C3CCC(C2\\C=C\\C#N)C13,CC1(C)CCCC2(C)C3CCC(C2\C=C\C#N)C13,"InChI=1/C17H25N/c1-16(2)9-5-10-17(3)13(6-4-11-18)12-7-8-14(17)15(12)16/h4,6,12-15H,5,7-10H2,1-3H3",C17H25N,,,,,,RREVPZJCDBBRKX-GQCTYLIASA-N,,,,,,,,,,,
100.071.972,279-194-6,79606-05-6,4-pentylphenyl 4-heptylbenzoate,4-pentylphenyl 4-heptylbenzoate,CCCCCCCc1ccc(cc1)C(=O)Oc2ccc(CCCCC)cc2,CCCCCCCc1ccc(cc1)C(=O)Oc2ccc(CCCCC)cc2,"InChI=1/C25H34O2/c1-3-5-7-8-10-12-21-13-17-23(18-14-21)25(26)27-24-19-15-22(16-20-24)11-9-6-4-2/h13-20H,3-12H2,1-2H3",C25H34O2,,,,,,ANBMVPQBRCOMBX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.980,279-202-8,79641-12-6,"N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[[5-[(2-hydroxyethyl)sulphonyl]-2-methoxyphenyl]azo]naphthalene-2-carboxamide","N-(2,5-dimethoxyphenyl)-3-hydroxy-4-({5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl}diazenyl)-2-naphthamide",COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(OC)ccc1OC)c2O)S(=O)(=O)CCO,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(OC)ccc1OC)c2O)S(=O)(=O)CCO,"InChI=1/C28H27N3O8S/c1-37-18-8-10-24(38-2)22(15-18)29-28(34)21-14-17-6-4-5-7-20(17)26(27(21)33)31-30-23-16-19(9-11-25(23)39-3)40(35,36)13-12-32/h4-11,14-16,32-33H,12-13H2,1-3H3,(H,29,34)",C28H27N3O8S,,,,,,GQGXSIQPECXJTG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.836,281-244-7,83898-35-5,"1,3-dihydro-1-(1-methylvinyl)-3-[3-(aminobenzyl)propyl]-2H-benzimidazol-2-one","1-[4-(2-aminophenyl)butyl]-3-isopropenyl-1,3-dihydro-2H-benzimidazol-2-one",CC(=C)N1C(=O)N(CCCCc2ccccc2N)c3ccccc13,CC(=C)N1C(=O)N(CCCCc2ccccc2N)c3ccccc13,"InChI=1/C20H23N3O/c1-15(2)23-19-13-6-5-12-18(19)22(20(23)24)14-8-7-10-16-9-3-4-11-17(16)21/h3-6,9,11-13H,1,7-8,10,14,21H2,2H3",C20H23N3O,,,,,,KXOKTXGVZWJCLC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.838,281-246-8,83898-37-7,"3-(2-hydroxy-3-nitrophenyl)-1,1-dimethylurea","3-(2-hydroxy-3-nitrophenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1cccc(c1O)[N+](=O)[O-],CN(C)C(=O)Nc1cccc(c1O)[N+](=O)[O-],"InChI=1/C9H11N3O4/c1-11(2)9(14)10-6-4-3-5-7(8(6)13)12(15)16/h3-5,13H,1-2H3,(H,10,14)",C9H11N3O4,,,,,,LCECVJGHMHPVSW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.844,281-253-6,83898-43-5,"Ethyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate","ethyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate",CCOC(=O)N1CCC(OC)(OC)C(O)C1,CCOC(=O)N1CCC(OC)(OC)C(O)C1,"InChI=1/C10H19NO5/c1-4-16-9(13)11-6-5-10(14-2,15-3)8(12)7-11/h8,12H,4-7H2,1-3H3",C10H19NO5,,,,,,WMFAMWJTLDIEKW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.394,269-755-3,68317-50-0,D-glucitol distearate,"1,2-di-O-stearoyl-D-glucitol",CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C42H82O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)49-36-38(42(48)41(47)37(44)35-43)50-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44,47-48H,3-36H2,1-2H3",C42H82O8,,,,,,MZIPZRNJUJLPSS-FOGKZQIUSA-N,,,,,,,,,,,
100.063.399,269-761-6,68318-37-6,"Ethyl dihydrogen phosphate, compound with triethylamine","ethyl dihydrogen phosphate - N,N-diethylethanamine (1:1)",CCOP(=O)(O)O.CCN(CC)CC,CCOP(=O)(O)O.CCN(CC)CC,"InChI=1/C6H15N.C2H7O4P/c1-4-7(5-2)6-3;1-2-6-7(3,4)5/h4-6H2,1-3H3;2H2,1H3,(H2,3,4,5)",C6H15N.xC2H7O4P,,,,,,OGKVDMFZFZSHIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.406,269-768-4,68330-67-6,(4R-trans)-7-isopropyl-4-methyloxepan-2-one,7-isopropyl-4-methyloxepan-2-one,CC(C)[C@@H]1CC[C@@H](C)CC(=O)O1,CC(C)[C@@H]1CC[C@@H](C)CC(=O)O1,"InChI=1/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3",C10H18O2,,,,,,GGAXPLCKKANQED-BDAKNGLRSA-N,,,,,,,,,,,
100.072.488,279-760-2,81424-66-0,"5-chloro-N-(2-chloro-4-nitrophenyl)salicylamide, compound with piperazine (2:1)",5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide - piperazine (2:1),Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-].Oc3ccc(Cl)cc3C(=O)Nc4ccc(cc4Cl)[N+](=O)[O-].C5CNCCN5,Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-].Oc3ccc(Cl)cc3C(=O)Nc4ccc(cc4Cl)[N+](=O)[O-].C5CNCCN5,"InChI=1/2C13H8Cl2N2O4.C4H10N2/c2*14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-6-4-3-5-1/h2*1-6,18H,(H,16,19);5-6H,1-4H2",C13H8Cl2N2O4.1/2C4H10N2,,,,,,POTQQSHAVRUBPV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.492,279-764-4,81456-46-4,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate 17-valerate","21-acetoxy-11-hydroxy-3,20-dioxopregn-4-en-17-yl valerate",CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)C,CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)C,"InChI=1/C28H40O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h14,20-22,25,31H,5-13,15-16H2,1-4H3",C28H40O7,,,,,,YHLNSTMFAGIHSR-SLPNHVECSA-N,,,,,,,,,,,
100.074.129,281-567-3,83968-88-1,2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium dihydrogen phosphate,2-{4-[(4-ethoxybenzyl)amino]phenyl}-1-ethylbenzo[cd]indolium dihydrogen phosphate,CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.[O-]P(=O)([O-])[O-],CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.[O-]P(=O)([O-])[O-],"InChI=1/C28H26N2O.H3O4P/c1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;1-5(2,3)4/h5-18H,3-4,19H2,1-2H3;(H3,1,2,3,4)/p-2",C28H27N2O.H2O4P,,,,,,ZVZYSVOHYWGKFK-UHFFFAOYSA-L,,,,,,,,,,,
100.074.131,281-569-4,83968-91-6,"[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium dihydrogen phosphate","N-{4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]cyclohexa-2,5-dien-1-ylidene}-N-ethylethanaminium dihydrogen phosphate",CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC.[O-]P(=O)([O-])[O-],CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC.[O-]P(=O)([O-])[O-],"InChI=1/C32H30ClN2.H3O4P/c1-4-35(5-2)25-21-19-23(20-22-25)30(26-15-9-11-17-28(26)33)31-27-16-10-12-18-29(27)34(3)32(31)24-13-7-6-8-14-24;1-5(2,3)4/h6-22H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3",C32H30ClN2.H2O4P,,,,,,WWUPEPSCKXSTIN-UHFFFAOYSA-K,,,,,,,,,,,
100.074.141,281-580-4,83969-04-4,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium methyl sulphate","2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-5-nitro-3H-indolium methyl sulfate",[O-]S(=O)(=O)OC.[O-][N+](=O)c1cc3c(cc1)[N+](\\C)=C(\\C=NNCc2ccc(OC)cc2)C3(C)C,[O-]S(=O)(=O)OC.[O-][N+](=O)c1cc3c(cc1)[N+](\C)=C(\C=NNCc2ccc(OC)cc2)C3(C)C,"InChI=1/C20H22N4O3.CH4O4S/c1-20(2)17-11-15(24(25)26)7-10-18(17)23(3)19(20)13-22-21-12-14-5-8-16(27-4)9-6-14;1-5-6(2,3)4/h5-11,13H,12H2,1-4H3;1H3,(H,2,3,4)",C20H23N4O3.CH3O4S,,,,,,WVKDWRJKWRIBER-UHFFFAOYSA-N,,,,,,,,,,,
100.074.142,281-582-5,83969-05-5,"5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate","5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate",COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\\C=C\\c3c(c4ccccc4)n(C)c5ccccc35.[O-]P(=O)([O-])[O-],COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.[O-]P(=O)([O-])[O-],"InChI=1/C29H29N2O.H3O4P/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5(2,3)4/h6-19H,1-5H3;(H3,1,2,3,4)/q+1;/p-3",C29H29N2O.H2O4P,,,,,,PUABAUAVQPCTAH-UHFFFAOYSA-K,,,,,,,,,,,
100.074.144,281-584-6,83969-07-7,"1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate","1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate",Cc1[nH]c2ccccc2c1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C.[O-]P(=O)([O-])[O-],Cc1[nH]c2ccccc2c1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[O-]P(=O)([O-])[O-],"InChI=1/C22H22N2.H3O4P/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-5(2,3)4/h5-14H,1-4H3;(H3,1,2,3,4)/p-2",C22H23N2.H2O4P,,,,,,POTNGOZAHASYEF-UHFFFAOYSA-L,,,,,,,,,,,
100.074.145,281-585-1,83969-08-8,"1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate","1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate",CC(=O)[O-].C[N+]1=C(\\C=C\\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15,CC(=O)[O-].C[N+]1=C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15,"InChI=1/C28H27N2.C2H4O2/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20;1-2(3)4/h5-19H,1-4H3;1H3,(H,3,4)/q+1;/p-1",C28H27N2.C2H3O2,,,,,,JUUWFNDMFKASIC-UHFFFAOYSA-M,,,,,,,,,,,
100.076.138,283-782-8,84712-92-5,"(5a,7a)-a-tert-butyl-17-(cyclopropylcarbonyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a-methyl-6,14-ethenomorphinan-7-methanol","17-(cyclopropylcarbonyl)-7-(1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol",CO[C@]12CC[C@@]3(C[C@@H]1C(C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4C(=O)C7CC7)c56,CO[C@]12CC[C@@]3(C[C@@H]1C(C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4C(=O)C7CC7)c56,"InChI=1/C29H39NO5/c1-25(2,3)26(4,33)19-15-27-10-11-29(19,34-5)24-28(27)12-13-30(23(32)16-6-7-16)20(27)14-17-8-9-18(31)22(35-24)21(17)28/h8-9,16,19-20,24,31,33H,6-7,10-15H2,1-5H3",C29H39NO5,,,,,,LLPIYCRHLHHJKV-BLZSMSMGSA-N,,,,,,,,,,,
100.076.139,283-783-3,84712-93-6,"N2-(tert-butoxycarbonyl)-N6-[(2-mesylethoxy)carbonyl]-L-lysine, compound with dicyclohexylamine (1:1)",N~2~-(tert-butoxycarbonyl)-N~6~-{[2-(methylsulfonyl)ethoxy]carbonyl}-L-lysine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C15H28N2O8S.C12H23N/c1-15(2,3)25-14(21)17-11(12(18)19)7-5-6-8-16-13(20)24-9-10-26(4,22)23;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,5-10H2,1-4H3,(H,16,20)(H,17,21)(H,18,19);11-13H,1-10H2",C15H28N2O8S.C12H23N,,,,,,UPJYVFMEJLHIKR-MERQFXBCSA-N,,,,,,,,,,,
100.076.140,283-784-9,84712-94-7,2-[[4-(phenylazo)benzyl]sulphonyl]ethyl S-(acetamidomethyl)-N-[N-[(4-methoxybenzyloxy)carbonyl]-L-seryl]-L-cysteinate,2-{[4-(phenyldiazenyl)benzyl]sulfonyl}ethyl N-{[(4-methoxybenzyl)oxy]carbonyl}-L-seryl-S-(acetamidomethyl)-L-cysteinate,COc3ccc(COC(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2)cc3,COc3ccc(COC(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2)cc3,"InChI=1/C33H39N5O10S2/c1-23(40)34-22-49-20-30(35-31(41)29(18-39)36-33(43)48-19-24-10-14-28(46-2)15-11-24)32(42)47-16-17-50(44,45)21-25-8-12-27(13-9-25)38-37-26-6-4-3-5-7-26/h3-15,29-30,39H,16-22H2,1-2H3,(H,34,40)(H,35,41)(H,36,43)",C33H39N5O10S2,,,,,,GQZHICGELIJFBG-KYJUHHDHSA-N,,,,,,,,,,,
100.076.144,283-789-6,84712-98-1,S-[acetamidomethyl]-N-[(vinyloxy)carbonyl]-L-cysteine,S-(acetamidomethyl)-N-[(vinyloxy)carbonyl]-L-cysteine,CC(=O)NCSC[C@H](NC(=O)OC=C)C(=O)O,CC(=O)NCSC[C@H](NC(=O)OC=C)C(=O)O,"InChI=1/C9H14N2O5S/c1-3-16-9(15)11-7(8(13)14)4-17-5-10-6(2)12/h3,7H,1,4-5H2,2H3,(H,10,12)(H,11,15)(H,13,14)",C9H14N2O5S,,,,,,WVPVRAHPOHEJQZ-ZETCQYMHSA-N,,,,,,,,,,,
100.076.145,283-790-1,84712-99-2,"S-(acetamidomethyl)-N-[(vinyloxy)carbonyl]-L-cysteine, compound with dicyclohexylamine (1:1)",S-(acetamidomethyl)-N-[(vinyloxy)carbonyl]-L-cysteine - N-cyclohexylcyclohexanamine (1:1),CC(=O)NCSC[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2,CC(=O)NCSC[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C9H14N2O5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-16-9(15)11-7(8(13)14)4-17-5-10-6(2)12/h11-13H,1-10H2;3,7H,1,4-5H2,2H3,(H,10,12)(H,11,15)(H,13,14)",C12H23N.C9H14N2O5S,,,,,,QMJNNSHOBSDANS-ZLTKDMPESA-N,,,,,,,,,,,
100.076.146,283-791-7,84713-00-8,"2,2'-[(methoxymethylsilylene)bis(oxy)]bisbenzoic acid","2,2'-{[(methoxymethyl)silanediyl]bis(oxy)}dibenzoic acid",COC[SiH](Oc1ccccc1C(=O)O)Oc2ccccc2C(=O)O,COC[SiH](Oc1ccccc1C(=O)O)Oc2ccccc2C(=O)O,"InChI=1/C16H16O7Si/c1-21-10-24(22-13-8-4-2-6-11(13)15(17)18)23-14-9-5-3-7-12(14)16(19)20/h2-9,24H,10H2,1H3,(H,17,18)(H,19,20)",C16H16O7Si,,,,,,WCSYQEGNUGIIGL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.166,283-814-0,84731-54-4,"N-[(vinyloxy)carbonyl]-L-tryptophan, compound with dicyclohexylamine (1:1)",N-[(vinyloxy)carbonyl]-D-tryptophan - N-cyclohexylcyclohexanamine (1:1),OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC=C.C3CCC(CC3)NC4CCCCC4,OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC=C.C3CCC(CC3)NC4CCCCC4,"InChI=1/C14H14N2O4.C12H23N/c1-2-20-14(19)16-12(13(17)18)7-9-8-15-11-6-4-3-5-10(9)11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-6,8,12,15H,1,7H2,(H,16,19)(H,17,18);11-13H,1-10H2",C14H14N2O4.C12H23N,,,,,,OPJXEKOXJMILNL-YDALLXLXSA-N,,,,,,,,,,,
100.076.169,283-817-7,84731-57-7,Dipotassium (S)-5-[(4-amino-4-carboxylato-1-oxobutyl)amino]-2-nitrobenzoate,dipotassium 5-[(4-amino-4-carboxylatobutanoyl)amino]-2-nitrobenzoate,[K+].[K+].N[C@@H](CCC(=O)Nc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(=O)[O-],[K+].[K+].N[C@@H](CCC(=O)Nc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(=O)[O-],"InChI=1/C12H13N3O7.2K/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);;/q;2*+1/p-2",C12H13N3O7.2K,,,,,,OZHPLAGWFIQLMJ-JZGIKJSDSA-L,,,,,,,,,,,
100.047.127,251-856-9,34161-23-4,"1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenoxy)acetyl]piperazinium chloride","1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenoxy)acetyl]piperazin-1-ium chloride",[Cl-].Clc1ccc(OCC(=O)N2CC[NH+](Cc3ccc4OCOc4c3)CC2)cc1,[Cl-].Clc1ccc(OCC(=O)N2CC[NH+](Cc3ccc4OCOc4c3)CC2)cc1,"InChI=1/C20H21ClN2O4.ClH/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18;/h1-6,11H,7-10,12-14H2;1H",C20H21ClN2O4.ClH,,,,,,MVOWQBJZZKOQNU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.132,251-862-1,34175-08-1,"4,5-dihydro-5-oxo-1-(4-sulphophenyl)-4-[(4-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid","5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O,OS(=O)(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O,"InChI=1/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)",C16H12N4O9S2,,,,,,RFKITWRHKUYMRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.364,279-624-2,80912-42-1,"Ethyl 1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate","ethyl 1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate",CCOC(=O)N1CCC2(CC1)N(CNC2=O)c3ccc(F)cc3,CCOC(=O)N1CCC2(CC1)N(CNC2=O)c3ccc(F)cc3,"InChI=1/C16H20FN3O3/c1-2-23-15(22)19-9-7-16(8-10-19)14(21)18-11-20(16)13-5-3-12(17)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,21)",C16H20FN3O3,,,,,,MPLUISYIZALWBE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.366,279-626-3,80916-48-9,Ethyl 1-methylbicyclo[2.2.1]heptane-2-carboxylate,ethyl 1-methylbicyclo[2.2.1]heptane-2-carboxylate,CCOC(=O)C1CC2CCC1(C)C2,CCOC(=O)C1CC2CCC1(C)C2,"InChI=1/C11H18O2/c1-3-13-10(12)9-6-8-4-5-11(9,2)7-8/h8-9H,3-7H2,1-2H3",C11H18O2,,,,,,BQWABSSMSUOVEE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.373,279-634-7,80944-48-5,2-propylisonicotinamide,2-propylisonicotinamide,CCCc1cc(ccn1)C(=O)N,CCCc1cc(ccn1)C(=O)N,"InChI=1/C9H12N2O/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)",C9H12N2O,,,,,,OGXRHACCPMCVIC-UHFFFAOYSA-N,,,,,,,,,,,
100.074.000,281-426-6,83949-66-0,"2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-2,3-dihydro-1,3,3-trimethyl-1H-indol-2-ol","2-(2-{4-[(4-ethoxybenzyl)amino]phenyl}vinyl)-1,3,3-trimethylindolin-2-ol",CCOc1ccc(CNc2ccc(\\C=C\\C3(O)N(C)c4ccccc4C3(C)C)cc2)cc1,CCOc1ccc(CNc2ccc(\C=C\C3(O)N(C)c4ccccc4C3(C)C)cc2)cc1,"InChI=1/C28H32N2O2/c1-5-32-24-16-12-22(13-17-24)20-29-23-14-10-21(11-15-23)18-19-28(31)27(2,3)25-8-6-7-9-26(25)30(28)4/h6-19,29,31H,5,20H2,1-4H3",C28H32N2O2,,,,,,MUCOJCWLAZJKRA-VHEBQXMUSA-N,,,,,,,,,,,
100.074.013,281-440-2,83949-80-8,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)","bis{1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium} sulfate",CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C.CC5Cc6ccccc6N5\\C=C\\C7=[N+](C)c8ccccc8C7(C)C.[O-]S(=O)(=O)[O-],CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.CC5Cc6ccccc6N5\C=C\C7=[N+](C)c8ccccc8C7(C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C22H25N2.H2O4S/c2*1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5(2,3)4/h2*5-14,16H,15H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C22H25N2.1/2O4S,,,,,,CZFACJYMPGGMAK-UHFFFAOYSA-L,,,,,,,,,,,
100.075.436,283-005-2,84522-10-1,2-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium tetrafluoroborate,2-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium tetrafluoroborate,CN(C)c1ccc([N+]#N)c(Oc2ccc(Cl)cc2)c1.F[B-](F)(F)F,CN(C)c1ccc([N+]#N)c(Oc2ccc(Cl)cc2)c1.F[B-](F)(F)F,"InChI=1/C14H13ClN3O.BF4/c1-18(2)11-5-8-13(17-16)14(9-11)19-12-6-3-10(15)4-7-12;2-1(3,4)5/h3-9H,1-2H3;/q+1;-1",C14H13ClN3O.BF4,,,,,,QIMXDSJMVUABEW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.440,283-009-4,84522-14-5,3-[(phenylamino)carbonyl]-2-naphthyl chloroacetate,3-(phenylcarbamoyl)-2-naphthyl chloroacetate,ClCC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3,ClCC(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccccc3,"InChI=1/C19H14ClNO3/c20-12-18(22)24-17-11-14-7-5-4-6-13(14)10-16(17)19(23)21-15-8-2-1-3-9-15/h1-11H,12H2,(H,21,23)",C19H14ClNO3,,,,,,MOKMMRCHXBKBKX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.446,283-016-2,84522-20-3,"N-[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]-N-ethyl-N',N'-dimethylethylenediamine monohydrochloride","N-{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}-N-ethyl-N',N'-dimethylethane-1,2-diamine hydrochloride",Cl.Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+]([O-])=O,Cl.Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+]([O-])=O,"InChI=1/C18H21Cl2N5O2.ClH/c1-4-24(10-9-23(2)3)14-7-5-13(6-8-14)21-22-18-16(19)11-15(25(26)27)12-17(18)20;/h5-8,11-12H,4,9-10H2,1-3H3;1H",C18H21Cl2N5O2.ClH,,,,,,JFHQTFGGTCDQTF-UHFFFAOYSA-N,,,,,,,,,,,
100.075.450,283-020-4,84522-26-9,Diethyl(prop-1-ynyl)ammonium hydrogen sulphate,"N,N-diethylprop-1-yn-1-aminium hydrogen sulfate",CC[NH+](CC)C#CC.[O-]S(=O)(=O)[O-],CC[NH+](CC)C#CC.[O-]S(=O)(=O)[O-],"InChI=1/C7H13N.H2O4S/c1-4-7-8(5-2)6-3;1-5(2,3)4/h5-6H2,1-3H3;(H2,1,2,3,4)/p-1",C7H13N.H2O4S,,,,,,NWDRUZRGKVVHMP-UHFFFAOYSA-M,,,,,,,,,,,
100.075.460,283-031-4,84522-36-1,"[1,1'-biphenyl]-2-ol, compound with 2,2',2''-nitrilotriethanol (1:1)","2,2',2''-nitrilotriethanol - biphenyl-2-ol (1:1)",OCCN(CCO)CCO.Oc1ccccc1c2ccccc2,OCCN(CCO)CCO.Oc1ccccc1c2ccccc2,"InChI=1/C12H10O.C6H15NO3/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-4-1-7(2-5-9)3-6-10/h1-9,13H;8-10H,1-6H2",C12H10O.C6H15NO3,,,,,,ZXIKXDFFNVUMQR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.608,284-299-5,84837-23-0,3-hydroxy-N-1H-indazol-6-ylnaphthalene-2-carboxamide,3-hydroxy-N-2H-indazol-6-yl-2-naphthamide,Oc1cc2ccccc2cc1C(=O)Nc3ccc4c[nH]nc4c3,Oc1cc2ccccc2cc1C(=O)Nc3ccc4c[nH]nc4c3,"InChI=1/C18H13N3O2/c22-17-8-12-4-2-1-3-11(12)7-15(17)18(23)20-14-6-5-13-10-19-21-16(13)9-14/h1-10,22H,(H,19,21)(H,20,23)",C18H13N3O2,,,,,,JNDPAMPDNGVEPY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.609,284-300-9,84837-24-1,4-methoxy-N-(4-methoxyphenyl)-m-toluidine,4-methoxy-N-(4-methoxyphenyl)-3-methylaniline,COc1ccc(Nc2ccc(OC)c(C)c2)cc1,COc1ccc(Nc2ccc(OC)c(C)c2)cc1,"InChI=1/C15H17NO2/c1-11-10-13(6-9-15(11)18-3)16-12-4-7-14(17-2)8-5-12/h4-10,16H,1-3H3",C15H17NO2,,,,,,RSMQZCBRDKTDEH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.127,279-363-4,80004-04-2,"(S)-1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol","1,4,7,10,13,16-hexaoxacyclooctadecan-2-ylmethanol",OC[C@H]1COCCOCCOCCOCCOCCO1,OC[C@H]1COCCOCCOCCOCCOCCO1,"InChI=1/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2",C13H26O7,,,,,,HFRGASADQCZXHH-ZDUSSCGKSA-N,,,,,,,,,,,
100.073.845,281-254-1,83898-44-6,"Decyl 5-[[3-(decyloxy)-3-oxopropyl]thio]-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate","decyl 5-{[3-(decyloxy)-3-oxopropyl]sulfanyl}-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosan-1-oate",CCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC,"InChI=1/3C13H26O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;1-3-5-7-8-6-4-2;/h3*16H,2-12H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC47H92O6S3Sn/c1-5-9-13-17-21-24-27-31-38-51-45(48)35-41-54-57(44-34-30-20-16-12-8-4,55-42-36-46(49)52-39-32-28-25-22-18-14-10-6-2)56-43-37-47(50)53-40-33-29-26-23-19-15-11-7-3/h5-44H2,1-4H3",C47H92O6S3Sn,,,,,,SBLUSIWAXPCTMO-UHFFFAOYSA-K,,,,,,,,,,,
100.073.850,281-259-9,83898-49-1,"Tetradecyl 5-dodecyl-9-oxo-5-[[3-oxo-3-(tetradecyloxy)propyl]thio]-10-oxa-4,6-dithia-5-stannatetracosanoate","tetradecyl 5-dodecyl-9-oxo-5-{[3-oxo-3-(tetradecyloxy)propyl]sulfanyl}-10-oxa-4,6-dithia-5-stannatetracosan-1-oate",CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/3C17H34O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;1-3-5-7-9-11-12-10-8-6-4-2;/h3*20H,2-16H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC63H124O6S3Sn/c1-5-9-13-17-21-25-29-32-35-39-43-47-54-67-61(64)51-57-70-73(60-50-46-42-38-28-24-20-16-12-8-4,71-58-52-62(65)68-55-48-44-40-36-33-30-26-22-18-14-10-6-2)72-59-53-63(66)69-56-49-45-41-37-34-31-27-23-19-15-11-7-3/h5-60H2,1-4H3",C63H124O6S3Sn,,,,,,DPVXTEOYLSQRFX-UHFFFAOYSA-K,,,,,,,,,,,
100.073.856,281-266-7,83898-55-9,"Decyl (Z,Z,Z)-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-6-dodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate","decyl 6-{[4-(decyloxy)-4-oxobut-2-enoyl]oxy}-6-dodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dien-1-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCCCCCCCCCC)\\C=C/C(=O)OCCCCCCCCCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCCCCCCCCCC)\C=C/C(=O)OCCCCCCCCCC,"InChI=1/3C14H24O4.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-5-7-9-11-12-10-8-6-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-12H2,2H3;/q;;;;+3/p-3/rC54H94O12Sn/c1-5-9-13-17-21-25-26-30-34-38-48-67(64-52(58)42-39-49(55)61-45-35-31-27-22-18-14-10-6-2,65-53(59)43-40-50(56)62-46-36-32-28-23-19-15-11-7-3)66-54(60)44-41-51(57)63-47-37-33-29-24-20-16-12-8-4/h39-44H,5-38,45-48H2,1-4H3",C54H94O12Sn,,,,,,QSUBVUMZLBDTOI-YFQJWWFYSA-K,,,,,,,,,,,
100.073.857,281-267-2,83898-56-0,"Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate","decyl 6-butyl-6-{[4-(decyloxy)-4-oxobut-2-enoyl]oxy}-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dien-1-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCC)\\C=C/C(=O)OCCCCCCCCCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCC)\C=C/C(=O)OCCCCCCCCCC,"InChI=1/3C14H24O4.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-4H2,2H3;/q;;;;+3/p-3/rC46H78O12Sn/c1-5-9-13-16-19-22-25-28-37-53-41(47)31-34-44(50)56-59(40-12-8-4,57-45(51)35-32-42(48)54-38-29-26-23-20-17-14-10-6-2)58-46(52)36-33-43(49)55-39-30-27-24-21-18-15-11-7-3/h31-36H,5-30,37-40H2,1-4H3",C46H78O12Sn,,,,,,MPVYEXRIRIBRHN-YFQJWWFYSA-K,,,,,,,,,,,
100.076.483,284-161-4,84792-41-6,(R)-[(allyloxy)carbonylamino](4-hydroxyphenyl)acetic acid,{[(allyloxy)carbonyl]amino}(4-hydroxyphenyl)acetic acid,OC(=O)[C@H](NC(=O)OCC=C)c1ccc(O)cc1,OC(=O)[C@H](NC(=O)OCC=C)c1ccc(O)cc1,"InChI=1/C12H13NO5/c1-2-7-18-12(17)13-10(11(15)16)8-3-5-9(14)6-4-8/h2-6,10,14H,1,7H2,(H,13,17)(H,15,16)",C12H13NO5,,,,,,QOXGDQIXNKKWHC-SNVBAGLBSA-N,,,,,,,,,,,
100.076.485,284-164-0,84794-98-9,5-(4-fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid,5-(4-fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid,COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c2ccc(F)cc2,COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c2ccc(F)cc2,"InChI=1/C14H11FO6S/c1-21-12-7-11(16)10(6-13(12)22(18,19)20)14(17)8-2-4-9(15)5-3-8/h2-7,16H,1H3,(H,18,19,20)",C14H11FO6S,,,,,,JQQGRPUCPLTRPG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.491,284-170-3,84803-45-2,"4,7-phenanthroline-5,6-dione dinitrate","4,7-phenanthroline-5,6-dione dinitrate",O[N+](=O)[O-].O[N+](=O)[O-].O=C1C(=O)c2ncccc2c3cccnc13,O[N+](=O)[O-].O[N+](=O)[O-].O=C1C(=O)c2ncccc2c3cccnc13,"InChI=1/C12H6N2O2.2HNO3/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16;2*2-1(3)4/h1-6H;2*(H,2,3,4)",C12H6N2O2.2HNO3,,,,,,MRENBCICIKFZMF-UHFFFAOYSA-N,,,,,,,,,,,
100.076.493,284-172-4,84803-47-4,Dimethyl [2-(phenylthio)ethyl]malonate,dimethyl [2-(phenylsulfanyl)ethyl]malonate,COC(=O)C(CCSc1ccccc1)C(=O)OC,COC(=O)C(CCSc1ccccc1)C(=O)OC,"InChI=1/C13H16O4S/c1-16-12(14)11(13(15)17-2)8-9-18-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3",C13H16O4S,,,,,,SRAYJSYVBOONEG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.753,278-951-8,78568-66-8,Tris(2-hydroxyethyl)ammonium 2-ethylhexyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 2-ethylhexyl sulfate",CCCCC(CC)COS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCC(CC)COS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C8H18O4S.C6H15NO3/c1-3-5-6-8(4-2)7-12-13(9,10)11;8-4-1-7(2-5-9)3-6-10/h8H,3-7H2,1-2H3,(H,9,10,11);8-10H,1-6H2",C8H18O4S.C6H15NO3,,,,,,BPULLWPYXHWDCK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.146,281-586-7,83969-09-9,"2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-(2-{4-[(2-chloroethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",CN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-],CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-],"InChI=1/C22H26ClN2.H3O4P/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5(2,3)4/h5-14H,15-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C22H26ClN2.H2O4P,,,,,,SUFUIVWPRIQUCS-UHFFFAOYSA-K,,,,,,,,,,,
100.070.030,277-057-5,72928-23-5,1-[4-methyl-5-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]ethan-1-one,1-[4-methyl-5-(3-methylbut-2-en-1-yl)cyclohex-3-en-1-yl]ethanone,CC(=CCC1CC(CC=C1C)C(=O)C)C,CC(=CCC1CC(CC=C1C)C(=O)C)C,"InChI=1/C14H22O/c1-10(2)5-7-13-9-14(12(4)15)8-6-11(13)3/h5-6,13-14H,7-9H2,1-4H3",C14H22O,,,,,,AAKUUHILWZWNCL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.032,277-059-6,72928-25-7,3-(4-methyl-3-cyclohexen-1-yl)but-3-enyl 2-methylbutyrate,3-(4-methylcyclohex-3-en-1-yl)but-3-en-1-yl 2-methylbutanoate,CCC(C)C(=O)OCCC(=C)C1CCC(=CC1)C,CCC(C)C(=O)OCCC(=C)C1CCC(=CC1)C,"InChI=1/C16H26O2/c1-5-13(3)16(17)18-11-10-14(4)15-8-6-12(2)7-9-15/h6,13,15H,4-5,7-11H2,1-3H3",C16H26O2,,,,,,BJWDLKYOQKQDLM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.038,277-065-9,72928-32-6,trans-4-(4-propylcyclohexyl)phenyl butyrate,4-(4-propylcyclohexyl)phenyl butyrate,CCCC1CCC(CC1)c2ccc(OC(=O)CCC)cc2,CCCC1CCC(CC1)c2ccc(OC(=O)CCC)cc2,"InChI=1/C19H28O2/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-19(20)6-4-2/h11-16H,3-10H2,1-2H3",C19H28O2,,,,,,SBQJMHWEPWADHS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.041,277-069-0,72928-35-9,3-methyl-3-butenyl 3-methyl-2-butenoate,3-methylbut-3-en-1-yl 3-methylbut-2-enoate,CC(=CC(=O)OCCC(=C)C)C,CC(=CC(=O)OCCC(=C)C)C,"InChI=1/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7H,1,5-6H2,2-4H3",C10H16O2,,,,,,GRTNNHGFEQUXEO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.043,277-071-1,72928-40-6,Ethyl phenethyl carbonate,ethyl 2-phenylethyl carbonate,CCOC(=O)OCCc1ccccc1,CCOC(=O)OCCc1ccccc1,"InChI=1/C11H14O3/c1-2-13-11(12)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C11H14O3,,,,,,HPJTVWUFDOZSMI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.045,277-073-2,72928-44-0,"1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethylnaphthalene-2-methanol","(2,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methanol",CC1(CO)CCC2=C(C1)C(C)(C)CCC2,CC1(CO)CCC2=C(C1)C(C)(C)CCC2,"InChI=1/C14H24O/c1-13(2)7-4-5-11-6-8-14(3,10-15)9-12(11)13/h15H,4-10H2,1-3H3",C14H24O,,,,,,CQGAXKIQOCMVDN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.047,277-075-3,72928-46-2,3-methylbutyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate,3-methylbutyl 2-[(2-benzylideneoctylidene)amino]benzoate,CC(C)CCOC(=O)c2ccccc2N=CC(=Cc1ccccc1)CCCCCC,CC(C)CCOC(=O)c2ccccc2N=CC(=Cc1ccccc1)CCCCCC,"InChI=1/C27H35NO2/c1-4-5-6-8-15-24(20-23-13-9-7-10-14-23)21-28-26-17-12-11-16-25(26)27(29)30-19-18-22(2)3/h7,9-14,16-17,20-22H,4-6,8,15,18-19H2,1-3H3",C27H35NO2,,,,,,LJVJMEOGMBKLKV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.048,277-076-9,72928-47-3,"4-ethylocta-2,4-dienoic acid","4-ethylocta-2,4-dienoic acid",OC(=O)C=CC(=CCCC)CC,OC(=O)C=CC(=CCCC)CC,"InChI=1/C10H16O2/c1-3-5-6-9(4-2)7-8-10(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)",C10H16O2,,,,,,BUTSDNCRRVJDHN-UHFFFAOYSA-N,,,,,,,,,,,
100.070.053,277-082-1,72928-52-0,"(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl formate","(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl formate",CC1(C)C2CC=C(COC=O)C1C2,CC1(C)C2CC=C(COC=O)C1C2,"InChI=1/C11H16O2/c1-11(2)9-4-3-8(6-13-7-12)10(11)5-9/h3,7,9-10H,4-6H2,1-2H3",C11H16O2,,,,,,QHPJGDWWLWJMPM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.054,277-083-7,72928-53-1,"(2E,6Z)-1,1'-oxybis[3,7-dimethylocta-2,6-diene]","1,1'-oxybis(3,7-dimethylocta-2,6-diene)",CC(=CCC\\C(=C\\COC\\C=C(/C)\\CCC=C(C)C)\\C)C,CC(=CCC\C(=C\COC\C=C(/C)\CCC=C(C)C)\C)C,"InChI=1/C20H34O/c1-17(2)9-7-11-19(5)13-15-21-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3",C20H34O,,,,,,XWRJRXQNOHXIOX-IWGRKNQJSA-N,,,,,,,,,,,
100.062.793,269-094-0,68187-41-7,"Phosphorodithioic acid, O,O-di-C1-14-alkyl esters","O,O-diheptyl hydrogen dithiophosphate",CCCCCCCOP(=S)(S)OCCCCCCC,CCCCCCCOP(=S)(S)OCCCCCCC,"InChI=1/C14H31O2PS2/c1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,18,19)",-,,,,,,KXKYPMWKQXTEEX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.463,269-831-6,68334-50-9,"[1,1'-biphenyl]diol","biphenyl-2,2'-diol",Oc1ccccc1c2ccccc2O,Oc1ccccc1c2ccccc2O,"InChI=1/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H",C12H10O2,,,,,,IMHDGJOMLMDPJN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.160,281-601-7,83970-30-3,Cobalt bis(nonylphenolate),cobalt(2+) bis(2-nonylphenolate),[Co+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],[Co+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-],"InChI=1/2C15H24O.Co/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2",C15H24O.1/2Co,,,,,,NLSLBCXJUFEEQK-UHFFFAOYSA-L,,,,,,,,,,,
100.047.135,251-865-8,34180-85-3,Methyl 4-[2-[4-(2-benzoxazoleyl)phenyl]vinyl]benzoate,"methyl 4-{2-[4-(1,3-benzoxazol-2-yl)phenyl]vinyl}benzoate",COC(=O)c1ccc(\\C=C\\c2ccc(cc2)c3oc4ccccc4n3)cc1,COC(=O)c1ccc(\C=C\c2ccc(cc2)c3oc4ccccc4n3)cc1,"InChI=1/C23H17NO3/c1-26-23(25)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)22-24-20-4-2-3-5-21(20)27-22/h2-15H,1H3",C23H17NO3,,,,,,PQENDJMQROQKKU-VOTSOKGWSA-N,,,,,,,,,,,
100.047.136,251-866-3,34183-06-7,"3,5-dichloro-4-hydroxybenzophenone","(3,5-dichloro-4-hydroxyphenyl)(phenyl)methanone",Oc1c(Cl)cc(cc1Cl)C(=O)c2ccccc2,Oc1c(Cl)cc(cc1Cl)C(=O)c2ccccc2,"InChI=1/C13H8Cl2O2/c14-10-6-9(7-11(15)13(10)17)12(16)8-4-2-1-3-5-8/h1-7,17H",C13H8Cl2O2,,,,,,HPTDNMHBDPOVLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.139,251-870-5,34191-31-6,4-(o-tolylazo)resorcinol,"4-[(2-methylphenyl)diazenyl]benzene-1,3-diol",Oc2cc(O)ccc2N=Nc1ccccc1C,Oc2cc(O)ccc2N=Nc1ccccc1C,"InChI=1/C13H12N2O2/c1-9-4-2-3-5-11(9)14-15-12-7-6-10(16)8-13(12)17/h2-8,16-17H,1H3",C13H12N2O2,,,,,,VIXGTWBKPFCGSF-UHFFFAOYSA-N,,,,,,,,,,,
100.047.145,251-876-8,34202-30-7,(acetato-O)(formato-O)hydroxyaluminium,aluminum formate hydroxide acetate,CC(=O)O[Al](O)OC=O,CC(=O)O[Al](O)OC=O,"InChI=1/C2H4O2.CH2O2.Al.H2O/c1-2(3)4;2-1-3;;/h1H3,(H,3,4);1H,(H,2,3);;1H2/q;;+3;/p-3/rC3H5AlO5/c1-3(6)9-4(7)8-2-5/h2,7H,1H3",C3H5AlO5,,,,,,DRVJZRIMOKBIBI-UHFFFAOYSA-K,,,,,,,,,,,
100.047.151,251-883-6,34209-81-9,"16-a,17-a-epoxy-20-oxopregn-5-en-3-ß-yl acetate","20-oxo-16,17-epoxypregn-5-en-3-yl acetate",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C)[C@@H]3CC=C2C1,CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C)[C@@H]3CC=C2C1,"InChI=1/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3",C23H32O4,,,,,,YRLVTBXOGJMZNC-QHKUYLHMSA-N,,,,,,,,,,,
100.047.153,251-885-7,34214-86-3,Chloropentadecane,1-chloropentadecane,CCCCCCCCCCCCCCCCl,CCCCCCCCCCCCCCCCl,"InChI=1/C15H31Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3",C15H31Cl,,,,,,WFDSCHJVWDKDFK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.158,251-890-4,34231-78-2,3-formylphenyl acetate,3-formylphenyl acetate,CC(=O)Oc1cccc(C=O)c1,CC(=O)Oc1cccc(C=O)c1,"InChI=1/C9H8O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-6H,1H3",C9H8O3,,,,,,GVUMZPWBUAGJBP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.159,251-892-5,34233-64-2,"Tetrasodium 4,4'-bis[[4-anilino-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc4ccc(\\C=C\\c5ccc(Nc6nc(Nc7ccccc7)nc(Nc8ccc(cc8)S(=O)(=O)[O-])n6)cc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])n2)cc1,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc4ccc(\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(Nc8ccc(cc8)S(=O)(=O)[O-])n6)cc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])n2)cc1,"InChI=1/C44H36N12O12S4.4Na/c57-69(58,59)35-21-17-31(18-22-35)47-41-51-39(45-29-7-3-1-4-8-29)53-43(55-41)49-33-15-13-27(37(25-33)71(63,64)65)11-12-28-14-16-34(26-38(28)72(66,67)68)50-44-54-40(46-30-9-5-2-6-10-30)52-42(56-44)48-32-19-23-36(24-20-32)70(60,61)62;;;;/h1-26H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56);;;;/q;4*+1/p-4",C44H36N12O12S4.4Na,,,,,,TZFWNQCIWOFPJO-MOSUJMLHSA-J,,,,,,,,,,,
100.070.751,277-850-6,74402-67-8,"3-isopropyl-2-methyl-2,5-heptadien-4-one","3-isopropyl-2-methylhepta-2,5-dien-4-one",CC=CC(=O)C(/C(C)C)=C(/C)C,CC=CC(=O)C(/C(C)C)=C(/C)C,"InChI=1/C11H18O/c1-6-7-10(12)11(8(2)3)9(4)5/h6-8H,1-5H3",C11H18O,,,,,,OBKOUVQSHQKPBW-UHFFFAOYSA-N,,,,,,,,,,,
100.070.761,277-861-6,74411-19-1,Thiazole-5-carboxamide,"1,3-thiazole-5-carboxamide",NC(=O)c1cncs1,NC(=O)c1cncs1,"InChI=1/C4H4N2OS/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)",C4H4N2OS,,,,,,GGNIKGLUPSHSBV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.769,277-870-5,74432-27-2,"Disodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate","disodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(OC)cc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(OC)cc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,"InChI=1/C20H14Cl2N6O8S2.2Na/c1-36-11-4-2-10(3-5-11)27-28-16-14(38(33,34)35)7-9-6-12(37(30,31)32)8-13(15(9)17(16)29)23-20-25-18(21)24-19(22)26-20;;/h2-8,29H,1H3,(H,30,31,32)(H,33,34,35)(H,23,24,25,26);;/q;2*+1/p-2",C20H14Cl2N6O8S2.2Na,,,,,,PWASJKRQGCLICA-UHFFFAOYSA-L,,,,,,,,,,,
100.070.774,277-875-2,74443-99-5,N-[2-(diethylamino)ethyl]acrylamide monohydrochloride,N-[2-(diethylamino)ethyl]acrylamide hydrochloride,Cl.CCN(CC)CCNC(=O)C=C,Cl.CCN(CC)CCNC(=O)C=C,"InChI=1/C9H18N2O.ClH/c1-4-9(12)10-7-8-11(5-2)6-3;/h4H,1,5-8H2,2-3H3,(H,10,12);1H",C9H18N2O.ClH,,,,,,IEWKGYJNURLXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.776,277-877-3,74449-50-6,Iron triricinoleate,iron(3+) tris(12-hydroxyoctadec-9-enoate),[Fe+3].CCCCCC[C@@H](O)C\\C=C/CCCCCCCC([O-])=O.CCCCCC[C@@H](O)C\\C=C/CCCCCCCC([O-])=O.CCCCCC[C@@H](O)C\\C=C/CCCCCCCC([O-])=O,[Fe+3].CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O.CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O.CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O,"InChI=1/3C18H34O3.Fe/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;;+3/p-3",C18H34O3.1/3Fe,,,,,,RNENLEMULHKKJD-MEOCIHEDSA-K,,,,,,,,,,,
100.072.128,279-365-5,80010-51-1,"Sodium 1-amino-4-[[3,5-bis[[(chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(3,5-bis{[(chloroacetyl)amino]methyl}-2,4,6-trimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1c(CNC(=O)CCl)c(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)CCl,[Na+].Cc1c(CNC(=O)CCl)c(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)CCl,"InChI=1/C29H28Cl2N4O7S.Na/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39;/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42);/q;+1/p-1",C29H28Cl2N4O7S.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18852,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.128,HVDUMYBPGXAPLG-UHFFFAOYSA-M,,,,,,,,,,,
100.072.129,279-366-0,80019-21-2,"5-[6,8-bis(phenylthio)benz[cd]indol-2(1H)-ylidene]-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trione","5-[6,8-bis(phenylsulfanyl)benzo[cd]indol-2(1H)-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione",CN1C(=O)N(C)C(=O)C(=C2Nc3c(Sc4ccccc4)cc(Sc5ccccc5)c6cccc2c36)C1=O,CN1C(=O)N(C)C(=O)C(=C2Nc3c(Sc4ccccc4)cc(Sc5ccccc5)c6cccc2c36)C1=O,"InChI=1/C29H21N3O3S2/c1-31-27(33)24(28(34)32(2)29(31)35)25-20-15-9-14-19-21(36-17-10-5-3-6-11-17)16-22(26(30-25)23(19)20)37-18-12-7-4-8-13-18/h3-16,30H,1-2H3",C29H21N3O3S2,,,,,,BUIYJYMIHORACN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.131,279-368-1,80019-42-7,"Tetrasodium 3-[[5-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4-hydroxy-5-[(1-oxopropyl)amino]naphthalene-2,7-disulphonate","tetrasodium 3-{[5-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-4-hydroxy-5-(propionylamino)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(c(N=Nc2c(cc1cc(cc(NC(=O)CC)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c3)S([O-])(=O)=O)nc(Nc4cccc(c4)S(=O)(=O)CCOS([O-])(=O)=O)n5,[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(c(N=Nc2c(cc1cc(cc(NC(=O)CC)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c3)S([O-])(=O)=O)nc(Nc4cccc(c4)S(=O)(=O)CCOS([O-])(=O)=O)n5,"InChI=1/C30H27ClN8O17S5.4Na/c1-2-24(40)34-21-14-19(58(44,45)46)10-15-11-23(60(50,51)52)26(27(41)25(15)21)39-38-20-13-17(6-7-22(20)59(47,48)49)33-30-36-28(31)35-29(37-30)32-16-4-3-5-18(12-16)57(42,43)9-8-56-61(53,54)55;;;;/h3-7,10-14,41H,2,8-9H2,1H3,(H,34,40)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,32,33,35,36,37);;;;/q;4*+1/p-4",C30H27ClN8O17S5.4Na,,,,,,VABDKENPZVVJQD-UHFFFAOYSA-J,,,,,,,,,,,
100.072.132,279-369-7,80025-46-3,"5-amino-1-(2,3,4-trichlorophenyl)-1H-pyrazole-4-carbonitrile","5-amino-1-(2,3,4-trichlorophenyl)-1H-pyrazole-4-carbonitrile",Nc1c(cnn1c2ccc(Cl)c(Cl)c2Cl)C#N,Nc1c(cnn1c2ccc(Cl)c(Cl)c2Cl)C#N,"InChI=1/C10H5Cl3N4/c11-6-1-2-7(9(13)8(6)12)17-10(15)5(3-14)4-16-17/h1-2,4H,15H2",C10H5Cl3N4,,,,,,DBFMKRVPJIOMHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.137,279-374-4,80036-85-7,4-(ethylsulphonyl)-3-nitroanisole,1-(ethylsulfonyl)-4-methoxy-2-nitrobenzene,CCS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-],CCS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-],"InChI=1/C9H11NO5S/c1-3-16(13,14)9-5-4-7(15-2)6-8(9)10(11)12/h4-6H,3H2,1-2H3",C9H11NO5S,,,,,,VFDSPCPEJJEKRS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.139,279-377-0,80036-87-9,4-bromo-2-(ethylsulphonyl)-5-methoxyaniline,4-bromo-2-(ethylsulfonyl)-5-methoxyaniline,CCS(=O)(=O)c1cc(Br)c(OC)cc1N,CCS(=O)(=O)c1cc(Br)c(OC)cc1N,"InChI=1/C9H12BrNO3S/c1-3-15(12,13)9-4-6(10)8(14-2)5-7(9)11/h4-5H,3,11H2,1-2H3",C9H12BrNO3S,,,,,,BNDGMKXNZXKLJR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.151,279-390-1,80079-49-8,1-(2-methyl-1-oxoallyl)-5-oxo-L-proline,1-methacryloyl-5-oxo-L-proline,CC(=C)C(=O)N1[C@@H](CCC1=O)C(=O)O,CC(=C)C(=O)N1[C@@H](CCC1=O)C(=O)O,"InChI=1/C9H11NO4/c1-5(2)8(12)10-6(9(13)14)3-4-7(10)11/h6H,1,3-4H2,2H3,(H,13,14)",C9H11NO4,,,,,,ZYOKGXRZPVZCEP-LURJTMIESA-N,,,,,,,,,,,
100.074.016,281-443-9,83949-85-3,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-5-(phenylmethoxy)-3H-indolium acetate","5-(benzyloxy)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium acetate",CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccc(OCc5ccccc5)cc4C3(C)C.CC(=O)[O-],CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccc(OCc5ccccc5)cc4C3(C)C.CC(=O)[O-],"InChI=1/C29H31N2O.C2H4O2/c1-21-18-23-12-8-9-13-26(23)31(21)17-16-28-29(2,3)25-19-24(14-15-27(25)30(28)4)32-20-22-10-6-5-7-11-22;1-2(3)4/h5-17,19,21H,18,20H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C29H31N2O.C2H3O2,,,,,,VBJNEDHBAOLMRC-UHFFFAOYSA-M,,,,,,,,,,,
100.074.020,281-448-6,83949-91-1,"N,N',N''-[1,3,5-triazine-2,4,6-triyltris[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]tris(benzamide)","N,N',N''-{1,3,5-triazine-2,4,6-triyltris[imino(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]}tribenzamide",O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)nc(Nc9cccc%10C(=O)c%11c(NC(=O)c%12ccccc%12)cccc%11C(=O)c9%10)n4)cccc3C(=O)c12)c%13ccccc%13,O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)nc(Nc9cccc%10C(=O)c%11c(NC(=O)c%12ccccc%12)cccc%11C(=O)c9%10)n4)cccc3C(=O)c12)c%13ccccc%13,"InChI=1/C66H39N9O9/c76-55-40-25-13-31-46(52(40)58(79)37-22-10-28-43(49(37)55)67-61(82)34-16-4-1-5-17-34)70-64-73-65(71-47-32-14-26-41-53(47)59(80)38-23-11-29-44(50(38)56(41)77)68-62(83)35-18-6-2-7-19-35)75-66(74-64)72-48-33-15-27-42-54(48)60(81)39-24-12-30-45(51(39)57(42)78)69-63(84)36-20-8-3-9-21-36/h1-33H,(H,67,82)(H,68,83)(H,69,84)(H3,70,71,72,73,74,75)",C66H39N9O9,,,,,,HNAMXBKVIIGORC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.757,278-956-5,78617-13-7,2-[2-[(1-oxohexadecyl)oxy]ethoxy]ethyl stearate,2-[2-(palmitoyloxy)ethoxy]ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCC,"InChI=1/C38H74O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(40)43-36-34-41-33-35-42-37(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",C38H74O5,,,,,,MCLNYOLKHHBCPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.760,278-959-1,78641-40-4,[(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate,2-(4-hydroxyphenyl)-3-[(4-methoxybenzyl)oxy]-3-oxopropanoic acid,COc1ccc(COC(=O)C(C(=O)O)c2ccc(O)cc2)cc1,COc1ccc(COC(=O)C(C(=O)O)c2ccc(O)cc2)cc1,"InChI=1/C17H16O6/c1-22-14-8-2-11(3-9-14)10-23-17(21)15(16(19)20)12-4-6-13(18)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)",C17H16O6,,,,,,JHALLYTYXLWETG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.763,278-962-8,78649-43-1,Sodium 4-fluoro-a-hydroxy-3-phenoxytoluene-a-sulphonate,sodium (4-fluoro-3-phenoxyphenyl)(hydroxy)methanesulfonate,[Na+].OC(c1ccc(F)c(Oc2ccccc2)c1)S(=O)(=O)[O-],[Na+].OC(c1ccc(F)c(Oc2ccccc2)c1)S(=O)(=O)[O-],"InChI=1/C13H11FO5S.Na/c14-11-7-6-9(13(15)20(16,17)18)8-12(11)19-10-4-2-1-3-5-10;/h1-8,13,15H,(H,16,17,18);/q;+1/p-1",C13H11FO5S.Na,,,,,,QIJSEHQLBAGBPV-UHFFFAOYSA-M,,,,,,,,,,,
100.071.766,278-965-4,78682-09-4,1-[4-(difluoromethoxy)phenyl]-2-methylpropan-1-one,1-[4-(difluoromethoxy)phenyl]-2-methylpropan-1-one,CC(C)C(=O)c1ccc(OC(F)F)cc1,CC(C)C(=O)c1ccc(OC(F)F)cc1,"InChI=1/C11H12F2O2/c1-7(2)10(14)8-3-5-9(6-4-8)15-11(12)13/h3-7,11H,1-2H3",C11H12F2O2,,,,,,FCBDKBWPEKKACE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.018,284-751-1,84962-53-8,"1,3,5-triazine-2,4,6-triamine sulphate","1,3,5-triazine-2,4,6-triamine sulfate",Nc1nc(N)nc(N)n1.OS(=O)(=O)O,Nc1nc(N)nc(N)n1.OS(=O)(=O)O,"InChI=1/C3H6N6.H2O4S/c4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h(H6,4,5,6,7,8,9);(H2,1,2,3,4)",C3H6N6.xH2O4S,,,,,,LTURHSAEWJPFAA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.027,284-761-6,84962-62-9,Sodium hydroxydimethylbenzenesulphonate,"sodium 2-hydroxy-3,4-dimethylbenzenesulfonate",[Na+].Cc1ccc(c(O)c1C)S(=O)(=O)[O-],[Na+].Cc1ccc(c(O)c1C)S(=O)(=O)[O-],"InChI=1/C8H10O4S.Na/c1-5-3-4-7(13(10,11)12)8(9)6(5)2;/h3-4,9H,1-2H3,(H,10,11,12);/q;+1/p-1",C8H10O4S.Na,,,,,,PYCHFVCCMYESMM-UHFFFAOYSA-M,,,,,,,,,,,
100.077.044,284-779-4,84962-80-1,"[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydrogen succinate","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydrogen succinate",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCC(=O)[O-],CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCC(=O)[O-],"InChI=1/C27H33N2.C4H6O4/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;5-3(6)1-2-4(7)8/h9-21H,5-8H2,1-4H3;1-2H2,(H,5,6)(H,7,8)/q+1;/p-2",C27H33N2.C4H5O4,,,,,,ZXJHKCSMKLDIKG-UHFFFAOYSA-L,,,,,,,,,,,
100.077.057,284-794-6,84962-93-6,"N,N',N''-[phosphoryltris(methylene)]tris[2-chloroacetamide]","N,N',N''-[phosphoryltris(methylene)]tris(2-chloroacetamide)",ClCC(=O)NCP(=O)(CNC(=O)CCl)CNC(=O)CCl,ClCC(=O)NCP(=O)(CNC(=O)CCl)CNC(=O)CCl,"InChI=1/C9H15Cl3N3O4P/c10-1-7(16)13-4-20(19,5-14-8(17)2-11)6-15-9(18)3-12/h1-6H2,(H,13,16)(H,14,17)(H,15,18)",C9H15Cl3N3O4P,,,,,,KPZBQRVHTFBJJV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.987,279-210-1,79660-76-7,"2,3-dihydro-N-hydroxy-5,6-dimethoxy-1H-indene-2-carboxamidine monohydrochloride","N-hydroxy-5,6-dimethoxyindane-2-carboximidamide hydrochloride",Cl.COc1cc2CC(Cc2cc1OC)C(=N)NO,Cl.COc1cc2CC(Cc2cc1OC)C(=N)NO,"InChI=1/C12H16N2O3.ClH/c1-16-10-5-7-3-9(12(13)14-15)4-8(7)6-11(10)17-2;/h5-6,9,15H,3-4H2,1-2H3,(H2,13,14);1H",C12H16N2O3.ClH,,,,,,ZGEYQGVDCVQKIF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.993,279-216-4,79665-29-5,4-[[4-(benzoylamino)-2-methoxy-5-methylphenyl]azo]-N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide,4-{[4-(benzoylamino)-2-methoxy-5-methylphenyl]diazenyl}-N-(4-chlorophenyl)-3-hydroxy-2-naphthamide,Clc5ccc(NC(=O)c4cc1ccccc1c(N=Nc3cc(C)c(NC(=O)c2ccccc2)cc3OC)c4O)cc5,Clc5ccc(NC(=O)c4cc1ccccc1c(N=Nc3cc(C)c(NC(=O)c2ccccc2)cc3OC)c4O)cc5,"InChI=1/C32H25ClN4O4/c1-19-16-27(28(41-2)18-26(19)35-31(39)20-8-4-3-5-9-20)36-37-29-24-11-7-6-10-21(24)17-25(30(29)38)32(40)34-23-14-12-22(33)13-15-23/h3-18,38H,1-2H3,(H,34,40)(H,35,39)",C32H25ClN4O4,,,,,,JTOWFLLZNQATAY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.994,279-218-5,79665-30-8,N-[4-(benzoylamino)phenyl]-4-[[5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-3-hydroxynaphthalene-2-carboxamide,N-[4-(benzoylamino)phenyl]-4-[(5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-methoxyphenyl)diazenyl]-3-hydroxy-2-naphthamide,Clc6ccc(cc6NC(=O)c5ccc(OC)c(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(NC(=O)c1ccccc1)cc2)c3O)c5)C(F)(F)F,Clc6ccc(cc6NC(=O)c5ccc(OC)c(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(NC(=O)c1ccccc1)cc2)c3O)c5)C(F)(F)F,"InChI=1/C39H27ClF3N5O5/c1-53-33-18-11-24(37(51)46-31-21-25(39(41,42)43)12-17-30(31)40)20-32(33)47-48-34-28-10-6-5-9-23(28)19-29(35(34)49)38(52)45-27-15-13-26(14-16-27)44-36(50)22-7-3-2-4-8-22/h2-21,49H,1H3,(H,44,50)(H,45,52)(H,46,51)",C39H27ClF3N5O5,,,,,,PWVSVPMRPDQSJD-UHFFFAOYSA-N,,,,,,,,,,,
100.074.171,281-613-2,83984-92-3,"5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride, compound with zinc dichloride","5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride, compound with zinc dichloride",[Zn+2].[Cl-].[Cl-].[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C,[Zn+2].[Cl-].[Cl-].[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C,"InChI=1/C17H27N6S.3ClH.Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;;;;/h8-13H,1-7H3;3*1H;/q+1;;;;+2/p-3",C17H27N6S.xCl2Zn.Cl,,,,,,VAPRHDPLMDUQLM-UHFFFAOYSA-K,,,,,,,,,,,
100.074.177,281-620-0,84000-64-6,"N-[5-[bis(2-phenoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-[bis(2-phenoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Brc4cc(cc(c4N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOc2ccccc2)CCOc3ccccc3)[N+]([O-])=O)[N+]([O-])=O,Brc4cc(cc(c4N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOc2ccccc2)CCOc3ccccc3)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C31H29BrN6O8/c1-21(39)33-26-19-28(36(13-15-45-23-9-5-3-6-10-23)14-16-46-24-11-7-4-8-12-24)30(44-2)20-27(26)34-35-31-25(32)17-22(37(40)41)18-29(31)38(42)43/h3-12,17-20H,13-16H2,1-2H3,(H,33,39)",C31H29BrN6O8,,,,,,RWKXIQVZDAZUIU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.071,277-101-3,72931-04-5,"3-(diethylamino)-7-methylspiro[11H-[1]benzothieno[3,2-b][1]benzopyran-11,1'(3'H)-isobenzofuran]-3'-one","3'-(diethylamino)-7'-methyl-3H-spiro[2-benzofuran-1,11'-[1]benzothieno[3,2-b]chromen]-3-one",CCN(CC)c1ccc2c(Oc3c(sc4ccc(C)cc34)C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3c(sc4ccc(C)cc34)C25OC(=O)c6ccccc56)c1,"InChI=1/C27H23NO3S/c1-4-28(5-2)17-11-12-21-22(15-17)30-24-19-14-16(3)10-13-23(19)32-25(24)27(21)20-9-7-6-8-18(20)26(29)31-27/h6-15H,4-5H2,1-3H3",C27H23NO3S,,,,,,NCSJDLQJBBLSAY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.074,277-105-5,72934-37-3,1-(p-chlorophenyl)cyclopropanecarboxylic acid,1-(4-chlorophenyl)cyclopropanecarboxylic acid,OC(=O)C1(CC1)c2ccc(Cl)cc2,OC(=O)C1(CC1)c2ccc(Cl)cc2,"InChI=1/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)",C10H9ClO2,,,,,,YAHLWSGIQJATGG-UHFFFAOYSA-N,,,,,,,,,,,
100.070.087,277-119-1,72953-48-1,2-chloro-4-[(2-methyl-1H-indol-3-yl)azo]benzonitrile,2-chloro-4-[(2-methyl-1H-indol-3-yl)diazenyl]benzonitrile,N#Cc1ccc(cc1Cl)N=Nc2c3ccccc3nc2C,N#Cc1ccc(cc1Cl)N=Nc2c3ccccc3nc2C,"InChI=1/C16H11ClN4/c1-10-16(13-4-2-3-5-15(13)19-10)21-20-12-7-6-11(9-18)14(17)8-12/h2-8,19H,1H3",C16H11ClN4,,,,,,LCELEDSEURRAOS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.093,277-125-4,72957-37-0,N2-(N-glycyl-L-histidyl)-L-lysine monoacetate,glycyl-L-histidyl-L-lysine acetate,CC(=O)O.NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)O,CC(=O)O.NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)O,"InChI=1/C14H24N6O4.C2H4O2/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;1-2(3)4/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);1H3,(H,3,4)",C14H24N6O4.C2H4O2,,,,,,MGNUTAFMLGJBGV-ACMTZBLWSA-N,,,,,,,,,,,
100.063.474,269-843-1,68334-69-0,1-(2-hydroxyethyl)-3-octadecylimidazolidin-2-one,1-(2-hydroxyethyl)-3-octadecylimidazolidin-2-one,CCCCCCCCCCCCCCCCCCN1CCN(CCO)C1=O,CCCCCCCCCCCCCCCCCCN1CCN(CCO)C1=O,"InChI=1/C23H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-25(21-22-26)23(24)27/h26H,2-22H2,1H3",C23H46N2O2,,,,,,CGLDXZYBEYPUCY-UHFFFAOYSA-N,,,,,,,,,,,
100.063.479,269-848-9,68345-20-0,"1-[bis[4-(diethylamino)phenyl]methyl]naphthalene-2,7-disulphonic acid","1-{bis[4-(diethylamino)phenyl]methyl}naphthalene-2,7-disulfonic acid",CCN(CC)c1ccc(cc1)C(c2ccc(cc2)N(CC)CC)c3c(ccc4ccc(cc34)S(=O)(=O)O)S(=O)(=O)O,CCN(CC)c1ccc(cc1)C(c2ccc(cc2)N(CC)CC)c3c(ccc4ccc(cc34)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C31H36N2O6S2/c1-5-32(6-2)25-15-9-23(10-16-25)30(24-11-17-26(18-12-24)33(7-3)8-4)31-28-21-27(40(34,35)36)19-13-22(28)14-20-29(31)41(37,38)39/h9-21,30H,5-8H2,1-4H3,(H,34,35,36)(H,37,38,39)",C31H36N2O6S2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18317,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.479,BCYNJKQQXIODNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.481,269-851-5,68345-22-2,"[2,2-bis(2-methylpropoxy)ethyl]benzene","(2,2-diisobutoxyethyl)benzene",CC(C)COC(Cc1ccccc1)OCC(C)C,CC(C)COC(Cc1ccccc1)OCC(C)C,"InChI=1/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3",C16H26O2,,,,,,IORFKGJOBOCHPX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.487,269-857-8,68365-86-6,"Silver(1+) 2,6,6-trimethylbicyclo[3.1.1]heptanethiolate","silver(1+) 2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate",[Ag+].CC1CCC2CC1([S-])C2(C)C,[Ag+].CC1CCC2CC1([S-])C2(C)C,"InChI=1/C10H18S.Ag/c1-7-4-5-8-6-10(7,11)9(8,2)3;/h7-8,11H,4-6H2,1-3H3;/q;+1/p-1",C10H18S.Ag,,,,,,FOUWRGHZHQYSNN-UHFFFAOYSA-M,,,,,,,,,,,
100.063.496,269-867-2,68368-36-5,"Barium bis[2,6-dichloro-3-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]","barium bis{3,5-dichloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate}",[Ba+2].Clc3c(C)c(Cl)cc(c3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)c(Cl)c3N=Nc1c2ccccc2ccc1O,[Ba+2].Clc3c(C)c(Cl)cc(c3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)c(Cl)c3N=Nc1c2ccccc2ccc1O,"InChI=1/2C17H12Cl2N2O4S.Ba/c2*1-9-12(18)8-14(26(23,24)25)17(15(9)19)21-20-16-11-5-3-2-4-10(11)6-7-13(16)22;/h2*2-8,22H,1H3,(H,23,24,25);/q;;+2/p-2",C17H12Cl2N2O4S.1/2Ba,,,,,,LWGLLRHCQOCVOL-UHFFFAOYSA-L,,,,,,,,,,,
100.063.497,269-868-8,68368-37-6,"3-amino-2,5-dichlorotoluene-4-sulphonic acid","2-amino-3,6-dichloro-4-methylbenzenesulfonic acid",Cc1cc(Cl)c(c(N)c1Cl)S(=O)(=O)O,Cc1cc(Cl)c(c(N)c1Cl)S(=O)(=O)O,"InChI=1/C7H7Cl2NO3S/c1-3-2-4(8)7(14(11,12)13)6(10)5(3)9/h2H,10H2,1H3,(H,11,12,13)",C7H7Cl2NO3S,,,,,,MLEABORKMIGILK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.782,277-884-1,74475-27-7,"2,3-dihydro-6-hydroxy-1,1,3,3-tetramethyl-1H-indene-5-carboxylic acid","6-hydroxy-1,1,3,3-tetramethylindane-5-carboxylic acid",CC1(C)CC(C)(C)c2cc(C(=O)O)c(O)cc12,CC1(C)CC(C)(C)c2cc(C(=O)O)c(O)cc12,"InChI=1/C14H18O3/c1-13(2)7-14(3,4)10-6-11(15)8(12(16)17)5-9(10)13/h5-6,15H,7H2,1-4H3,(H,16,17)",C14H18O3,,,,,,QBFSFIALNTWSIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.783,277-885-7,74488-09-8,"Lithium (9Z,12Z)-octadeca-9,12-dienoate","lithium octadeca-9,12-dienoate",[Li+].CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Li+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H32O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H32O2.Li,,,,,,OLMNIZJJAAWPAB-NBTZWHCOSA-M,,,,,,,,,,,
100.050.820,255-921-2,42728-62-1,4-(chloromethyl)benzophenone,[4-(chloromethyl)phenyl](phenyl)methanone,ClCc1ccc(cc1)C(=O)c2ccccc2,ClCc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C14H11ClO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10H2",C14H11ClO,,,,,,PXFOBPPTJQWHRN-UHFFFAOYSA-N,,,,,,,,,,,
100.050.822,255-923-3,42739-38-8,Ammonium valerate,ammonium valerate,[NH4+].CCCCC(=O)[O-],[NH4+].CCCCC(=O)[O-],"InChI=1/C5H10O2.H3N/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);1H3",C5H10O2.H3N,,,,,,RXQNHIDQIJXKTK-UHFFFAOYSA-N,,,,,,,,,,,
100.050.826,255-928-0,42755-45-3,"N'-(4-chloro-2-cyanophenyl)-N,N-dimethylformamidine monohydrochloride","N'-(4-chloro-2-cyanophenyl)-N,N-dimethylimidoformamide hydrochloride",Cl.Clc1cc(C#N)c(N=CN(C)C)cc1,Cl.Clc1cc(C#N)c(N=CN(C)C)cc1,"InChI=1/C10H10ClN3.ClH/c1-14(2)7-13-10-4-3-9(11)5-8(10)6-12;/h3-5,7H,1-2H3;1H",C10H10ClN3.ClH,,,,,,CKJLGFCSDJDFOF-UHFFFAOYSA-N,,,,,,,,,,,
100.050.828,255-930-1,42757-85-7,"2-(3-hydroxyquinolin-2-yl)-1H-benz[f]indene-1,3(2H)-dione","2-(3-hydroxyquinolin-2-yl)-1H-cyclopenta[b]naphthalene-1,3(2H)-dione",Oc1cc2ccccc2nc1C3C(=O)c4cc5ccccc5cc4C3=O,Oc1cc2ccccc2nc1C3C(=O)c4cc5ccccc5cc4C3=O,"InChI=1/C22H13NO3/c24-18-11-14-7-3-4-8-17(14)23-20(18)19-21(25)15-9-12-5-1-2-6-13(12)10-16(15)22(19)26/h1-11,19,24H",C22H13NO3,,,,,,AQVPQYNGAFRALM-UHFFFAOYSA-N,,,,,,,,,,,
100.050.835,255-938-5,42779-82-8,Clopirac,"[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid",Cc1cc(CC(=O)O)c(C)n1c2ccc(Cl)cc2,Cc1cc(CC(=O)O)c(C)n1c2ccc(Cl)cc2,"InChI=1/C14H14ClNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18)",C14H14ClNO2,,,,,,SJCRQMUYEQHNTC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.839,255-942-7,42785-22-8,(3-amino-6-chloro-2-pyridyl) (2-chlorophenyl) ketone,(3-amino-6-chloropyridin-2-yl)(2-chlorophenyl)methanone,Nc1ccc(Cl)nc1C(=O)c2ccccc2Cl,Nc1ccc(Cl)nc1C(=O)c2ccccc2Cl,"InChI=1/C12H8Cl2N2O/c13-8-4-2-1-3-7(8)12(17)11-9(15)5-6-10(14)16-11/h1-6H,15H2",C12H8Cl2N2O,,,,,,NNFIJXMWXSQTSA-UHFFFAOYSA-N,,,,,,,,,,,
100.050.847,255-951-6,42809-78-9,Triphenylphosphonium 9H-fluoren-9-ylide,9H-fluoren-9-ylidene(triphenyl)phosphorane,c1ccc(cc1)P(=C2c3ccccc3c4ccccc24)(c5ccccc5)c6ccccc6,c1ccc(cc1)P(=C2c3ccccc3c4ccccc24)(c5ccccc5)c6ccccc6,"InChI=1/C31H23P/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-29-22-12-10-20-27(29)28-21-11-13-23-30(28)31/h1-23H",C31H23P,,,,,,WAIYJGWQTGVSJY-UHFFFAOYSA-N,,,,,,,,,,,
100.050.852,255-956-3,42823-46-1,4-guanidinobenzoic acid hydrochloride,4-carbamimidamidobenzoic acid hydrochloride,Cl.NC(=N)Nc1ccc(cc1)C(=O)O,Cl.NC(=N)Nc1ccc(cc1)C(=O)O,"InChI=1/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H",C8H9N3O2.ClH,,,,,,YETFLAUJROGBMC-UHFFFAOYSA-N,,,,,,,,,,,
100.050.853,255-957-9,42824-62-4,Tetradecahydrocyclododeca[c]furan,tetradecahydrocyclododeca[c]furan,C1CCCCCC2COCC2CCCC1,C1CCCCCC2COCC2CCCC1,"InChI=1/C14H26O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h13-14H,1-12H2",C14H26O,,,,,,ZOMKNVYKXOZLFE-UHFFFAOYSA-N,,,,,,,,,,,
100.050.862,255-967-3,42849-43-4,Sodium 1-hydroxypentanesulphonate,sodium 1-hydroxypentane-1-sulfonate,[Na+].CCCCC(O)S(=O)(=O)[O-],[Na+].CCCCC(O)S(=O)(=O)[O-],"InChI=1/C5H12O4S.Na/c1-2-3-4-5(6)10(7,8)9;/h5-6H,2-4H2,1H3,(H,7,8,9);/q;+1/p-1",C5H12O4S.Na,,,,,,NMXZRBVBKXIADF-UHFFFAOYSA-M,,,,,,,,,,,
100.050.863,255-968-9,42852-92-6,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxy-5-[(phenylmethyl)allylamino]phenyl]acetamide","N-{5-[allyl(benzyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Brc3cc(cc(c3N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)Cc2ccccc2)[N+]([O-])=O)[N+]([O-])=O,Brc3cc(cc(c3N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)Cc2ccccc2)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C25H23BrN6O6/c1-4-10-30(15-17-8-6-5-7-9-17)22-13-20(27-16(2)33)21(14-24(22)38-3)28-29-25-19(26)11-18(31(34)35)12-23(25)32(36)37/h4-9,11-14H,1,10,15H2,2-3H3,(H,27,33)",C25H23BrN6O6,,,,,,YSZZWYQJLRICAX-UHFFFAOYSA-N,,,,,,,,,,,
100.050.865,255-971-5,42856-62-2,"2-methylpentane-1,5-diol","2-methylpentane-1,5-diol",CC(CO)CCCO,CC(CO)CCCO,"InChI=1/C6H14O2/c1-6(5-8)3-2-4-7/h6-8H,2-5H2,1H3",C6H14O2,,,,,,AAAWJUMVTPNRDT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.179,283-828-7,84731-69-1,"Butyl 4-(1,1-dimethylethyl)cyclohexanecarboxylate",butyl 4-tert-butylcyclohexanecarboxylate,CCCCOC(=O)C1CCC(CC1)C(C)(C)C,CCCCOC(=O)C1CCC(CC1)C(C)(C)C,"InChI=1/C15H28O2/c1-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2,3)4/h12-13H,5-11H2,1-4H3",C15H28O2,,,,,,JAJKHHAYOBZFSU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.182,283-831-3,84731-72-6,"Benzoic acid, compound with 1-methylhexylamine (1:1)",heptan-2-amine benzoate,CCCCCC(C)N.OC(=O)c1ccccc1,CCCCCC(C)N.OC(=O)c1ccccc1,"InChI=1/C7H17N.C7H6O2/c1-3-4-5-6-7(2)8;8-7(9)6-4-2-1-3-5-6/h7H,3-6,8H2,1-2H3;1-5H,(H,8,9)",C7H17N.C7H6O2,,,,,,YWEUMXMZSVVUEG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.040,281-470-6,83950-17-8,"2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium formate","1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3H-indolium formate",[O-]C=O.C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C,[O-]C=O.C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C25H29N2.CH2O2/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;2-1-3/h7-17H,1-6H3;1H,(H,2,3)/q+1;/p-1",C25H29N2.CHO2,,,,,,WMTBGJJRSWDWGU-UHFFFAOYSA-M,,,,,,,,,,,
100.077.251,285-006-3,85005-74-9,3-(diethylamino)-7-[(o-tolyl)amino]phenoxazin-5-ium formate,3-(diethylamino)-7-[(2-methylphenyl)amino]phenoxazin-5-ium formate,CCN(CC)c1ccc2nc3ccc(Nc4ccccc4C)cc3[o+]c2c1.[O-]C=O,CCN(CC)c1ccc2nc3ccc(Nc4ccccc4C)cc3[o+]c2c1.[O-]C=O,"InChI=1/C23H24N3O.CH2O2/c1-4-26(5-2)18-11-13-21-23(15-18)27-22-14-17(10-12-20(22)25-21)24-19-9-7-6-8-16(19)3;2-1-3/h6-15,24H,4-5H2,1-3H3;1H,(H,2,3)/q+1;/p-1",C23H24N3O.CHO2,,,,,,BVTJWNOBGMOEEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.077.252,285-007-9,85005-76-1,"1,3,3-trimethyl-2-[(methyl-2-naphthylhydrazono)methyl]-3H-indolium acetate","1,3,3-trimethyl-2-[methyl(2-naphthyl)carbonohydrazonoyl]-3H-indolium acetate",[O-]C(C)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c2cc3ccccc3cc2,[O-]C(C)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c2cc3ccccc3cc2,"InChI=1/C23H24N3.C2H4O2/c1-23(2)20-11-7-8-12-21(20)25(3)22(23)16-24-26(4)19-14-13-17-9-5-6-10-18(17)15-19;1-2(3)4/h5-16H,1-4H3;1H3,(H,3,4)/q+1;/p-1",C23H24N3.C2H3O2,,,,,,VBQHWLNNYDYRAE-UHFFFAOYSA-M,,,,,,,,,,,
100.077.256,285-012-6,85005-81-8,"Barium bis[5-chloro-2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-p-toluenesulphonate]","barium bis{5-chloro-4-methyl-2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonate}",[Ba+2].[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,[Ba+2].[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=NC2C(\C)=N/N(c1ccccc1)C2=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/2C17H15ClN4O4S.Ba/c2*1-10-8-14(15(9-13(10)18)27(24,25)26)19-20-16-11(2)21-22(17(16)23)12-6-4-3-5-7-12;/h2*3-9,16H,1-2H3,(H,24,25,26);/q;;+2/p-2",C17H15ClN4O4S.1/2Ba,,,,,,VIWIEMHNMBWSLX-UHFFFAOYSA-L,,,,,,,,,,,
100.072.159,279-399-0,80118-06-5,"1,3-dimethylbut-3-enyl isobutyrate","1,3-dimethylbut-3-en-1-yl 2-methylpropanoate",CC(C)C(=O)OC(C)CC(=C)C,CC(C)C(=O)OC(C)CC(=C)C,"InChI=1/C10H18O2/c1-7(2)6-9(5)12-10(11)8(3)4/h8-9H,1,6H2,2-5H3",C10H18O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18262,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.159,JJWWUTCHOAKZPR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.162,279-403-0,80139-82-8,"4-(4-chlorophenyl)-N,N-dimethylpiperidine-4-carboxamide","4-(4-chlorophenyl)-N,N-dimethylpiperidine-4-carboxamide",CN(C)C(=O)C1(CCNCC1)c2ccc(Cl)cc2,CN(C)C(=O)C1(CCNCC1)c2ccc(Cl)cc2,"InChI=1/C14H19ClN2O/c1-17(2)13(18)14(7-9-16-10-8-14)11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3",C14H19ClN2O,,,,,,KMWYAZOULFIPLF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.163,279-404-6,80139-87-3,Benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate,benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate,CC1CN(CCC1(C(=O)OCc2ccccc2)c3ccccc3)C4CCC(CC4)(C#N)c5ccc(F)cc5,CC1CN(CCC1(C(=O)OCc2ccccc2)c3ccccc3)C4CCC(CC4)(C#N)c5ccc(F)cc5,"InChI=1/C33H35FN2O2/c1-25-22-36(30-16-18-32(24-35,19-17-30)27-12-14-29(34)15-13-27)21-20-33(25,28-10-6-3-7-11-28)31(37)38-23-26-8-4-2-5-9-26/h2-15,25,30H,16-23H2,1H3",C33H35FN2O2,,,,,,NJDLNVYIGQXVCT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.168,279-409-3,80162-59-0,"4-[2-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolyl)vinyl]-1-(2-hydroxyethyl)pyridinium chloride","4-[2-(1-ethyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl)vinyl]-1-(2-hydroxyethyl)pyridinium chloride",[Cl-].CCN1c2ccc(\\C=C\\c3cc[n+](CCO)cc3)cc2C(C)CC1(C)C,[Cl-].CCN1c2ccc(\C=C\c3cc[n+](CCO)cc3)cc2C(C)CC1(C)C,"InChI=1/C23H31N2O.ClH/c1-5-25-22-9-8-20(16-21(22)18(2)17-23(25,3)4)7-6-19-10-12-24(13-11-19)14-15-26;/h6-13,16,18,26H,5,14-15,17H2,1-4H3;1H/q+1;/p-1",C23H31N2O.Cl,,,,,,DIHBTRBIHQLYGP-UHFFFAOYSA-M,,,,,,,,,,,
100.072.172,279-414-0,80185-65-5,1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid monohydrochloride,1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid hydrochloride,Cl.CC1CN(CCC1(C(=O)O)c2ccccc2)C3CCC(CC3)(C#N)c4ccc(F)cc4,Cl.CC1CN(CCC1(C(=O)O)c2ccccc2)C3CCC(CC3)(C#N)c4ccc(F)cc4,"InChI=1/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H",C26H29FN2O2.ClH,,,,,,OICFWWJHIMKBCD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.175,279-417-7,80192-55-8,"2,4-diethylheptan-1-ol","2,4-diethylheptan-1-ol",CCCC(CC)CC(CC)CO,CCCC(CC)CC(CC)CO,"InChI=1/C11H24O/c1-4-7-10(5-2)8-11(6-3)9-12/h10-12H,4-9H2,1-3H3",C11H24O,,,,,,MPSSVYBWYAOYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.181,279-424-5,80228-86-0,"N,N'-dicyclohexyl[(cyclohexylamino)methyl]methylsilanediamine","N,N'-dicyclohexyl-1-[2-(cyclohexylamino)ethyl]silanediamine",C(C[SiH](NC1CCCCC1)NC2CCCCC2)NC3CCCCC3,C(C[SiH](NC1CCCCC1)NC2CCCCC2)NC3CCCCC3,"InChI=1/C20H41N3Si/c1-4-10-18(11-5-1)21-16-17-24(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h18-24H,1-17H2",C20H41N3Si,,,,,,JPDGSOXYEWYUQP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.184,279-427-1,80228-89-3,Diethoxymethyl[(1-methylvinyl)oxy]silane,(diethoxymethyl)(isopropenyloxy)silane,CCOC(OCC)[SiH2]OC(=C)C,CCOC(OCC)[SiH2]OC(=C)C,"InChI=1/C8H18O3Si/c1-5-9-8(10-6-2)12-11-7(3)4/h8H,3,5-6,12H2,1-2,4H3",C8H18O3Si,,,,,,SSZMXUDPFIZBHY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.998,279-222-7,79665-34-2,"4,4'-bis[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-2,2'-disulfonic acid",O=C(Nc1ccccc1C)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2C)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)C(C)=O,O=C(Nc1ccccc1C)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2C)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)C(C)=O,"InChI=1/C34H32N6O10S2/c1-19-9-5-7-11-27(19)35-33(43)31(21(3)41)39-37-23-13-15-25(29(17-23)51(45,46)47)26-16-14-24(18-30(26)52(48,49)50)38-40-32(22(4)42)34(44)36-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50)",C34H32N6O10S2,,,,,,ZORXFDYIZLBEOC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.999,279-223-2,79665-35-3,"1,1'-[(4-methyl-1,3-phenylene)diimino]bisanthraquinone","1,1'-[(4-methyl-1,3-phenylene)diimino]di(9,10-anthraquinone)",Cc1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1Nc5cccc6C(=O)c7ccccc7C(=O)c56,Cc1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1Nc5cccc6C(=O)c7ccccc7C(=O)c56,"InChI=1/C35H22N2O4/c1-19-16-17-20(36-27-14-6-12-25-30(27)34(40)23-10-4-2-8-21(23)32(25)38)18-29(19)37-28-15-7-13-26-31(28)35(41)24-11-5-3-9-22(24)33(26)39/h2-18,36-37H,1H3",C35H22N2O4,,,,,,YPAAQIDLHHHJAY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.641,281-029-8,83846-53-1,"7,9-dimethylspiro[5.5]undeca-1,8-dien-3-one","7,9-dimethylspiro[5.5]undeca-1,8-dien-3-one",CC1C=C(C)CCC12CCC(=O)C=C2,CC1C=C(C)CCC12CCC(=O)C=C2,"InChI=1/C13H18O/c1-10-3-6-13(11(2)9-10)7-4-12(14)5-8-13/h4,7,9,11H,3,5-6,8H2,1-2H3",C13H18O,,,,,,CZZDWTTUPHCLPO-UHFFFAOYSA-N,,,,,,,,,,,
100.073.643,281-031-9,83846-55-3,"1,5-dimethyl-1-vinylhex-4-enyl pivalate","1,5-dimethyl-1-vinylhex-4-en-1-yl pivalate",CC(=CCCC(C)(OC(=O)C(C)(C)C)C=C)C,CC(=CCCC(C)(OC(=O)C(C)(C)C)C=C)C,"InChI=1/C15H26O2/c1-8-15(7,11-9-10-12(2)3)17-13(16)14(4,5)6/h8,10H,1,9,11H2,2-7H3",C15H26O2,,,,,,ZZYCDPNQWULUFL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.644,281-032-4,83846-56-4,"Disodium 4-amino-5-hydroxy-3-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3-({4-[(4-hydroxyphenyl)diazenyl]phenyl}diazenyl)-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Oc5ccc(N=Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5,[Na+].[Na+].Oc5ccc(N=Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5,"InChI=1/C28H21N7O8S2.2Na/c29-25-24-16(15-23(45(41,42)43)27(28(24)37)35-32-17-4-2-1-3-5-17)14-22(44(38,39)40)26(25)34-33-19-8-6-18(7-9-19)30-31-20-10-12-21(36)13-11-20;;/h1-15,36-37H,29H2,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C28H21N7O8S2.2Na,,,,,,LALCHVOKTXJVFD-UHFFFAOYSA-L,,,,,,,,,,,
100.073.866,281-277-7,83898-65-1,"5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one maleate","5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one but-2-enedioate",OC(=O)\\C=C/C(=O)O.Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1,OC(=O)\C=C/C(=O)O.Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1,"InChI=1/C22H24ClN5O2.C4H4O4/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29;5-3(6)1-2-4(7)8/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30);1-2H,(H,5,6)(H,7,8)",C22H24ClN5O2.C4H4O4,,,,,,OAUUYDZHCOULIO-BTJKTKAUSA-N,,,,,,,,,,,
100.073.869,281-280-3,83898-68-4,"3,9-bis[2-(2-ethoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide","3,9-bis[2-(2-ethoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide",CCOCCOCCOP1(=O)OCC2(COP(=O)(OCCOCCOCC)OC2)CO1,CCOCCOCCOP1(=O)OCC2(COP(=O)(OCCOCCOCC)OC2)CO1,"InChI=1/C17H34O12P2/c1-3-20-5-7-22-9-11-24-30(18)26-13-17(14-27-30)15-28-31(19,29-16-17)25-12-10-23-8-6-21-4-2/h3-16H2,1-2H3",C17H34O12P2,,,,,,RIGYULXXVSHDSA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.535,283-115-0,84540-23-8,2-(ethoxymethyl)-5-methyl-7-(1-methylethyl)bicyclo[2.2.2]octane,2-(ethoxymethyl)-7-isopropyl-5-methylbicyclo[2.2.2]octane,CCOCC1CC2CC(C(C)C)C1CC2C,CCOCC1CC2CC(C(C)C)C1CC2C,"InChI=1/C15H28O/c1-5-16-9-13-7-12-8-14(10(2)3)15(13)6-11(12)4/h10-15H,5-9H2,1-4H3",C15H28O,,,,,,NGUXECYSEAJIMC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.775,278-975-9,78718-56-6,2-[[3-(dimethylamino)propyl](2-methylpropyl)amino]ethanol,2-{[3-(dimethylamino)propyl](isobutyl)amino}ethanol,CC(C)CN(CCO)CCCN(C)C,CC(C)CN(CCO)CCCN(C)C,"InChI=1/C11H26N2O/c1-11(2)10-13(8-9-14)7-5-6-12(3)4/h11,14H,5-10H2,1-4H3",C11H26N2O,,,,,,UQGNDJPSAUABLC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.788,278-990-0,78833-04-2,a-isobutylpyridine-2-acetonitrile,4-methyl-2-pyridin-2-ylpentanenitrile,CC(C)CC(C#N)c1ccccn1,CC(C)CC(C#N)c1ccccn1,"InChI=1/C11H14N2/c1-9(2)7-10(8-12)11-5-3-4-6-13-11/h3-6,9-10H,7H2,1-2H3",C11H14N2,,,,,,GPMCJRHRMGDKEE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.793,278-995-8,78844-79-8,"2,2'-oxybis(toluene-5-sulphonohydrazide)","4,4'-oxybis(3-methylbenzenesulfonohydrazide)",Cc1cc(ccc1Oc2ccc(cc2C)S(=O)(=O)NN)S(=O)(=O)NN,Cc1cc(ccc1Oc2ccc(cc2C)S(=O)(=O)NN)S(=O)(=O)NN,"InChI=1/C14H18N4O5S2/c1-9-7-11(24(19,20)17-15)3-5-13(9)23-14-6-4-12(8-10(14)2)25(21,22)18-16/h3-8,17-18H,15-16H2,1-2H3",C14H18N4O5S2,,,,,,ATVQEZWXVATLEP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.797,279-001-5,78899-79-3,Sodium p-octylphenolate,sodium 4-octylphenolate,[Na+].CCCCCCCCc1ccc([O-])cc1,[Na+].CCCCCCCCc1ccc([O-])cc1,"InChI=1/C14H22O.Na/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h9-12,15H,2-8H2,1H3;/q;+1/p-1",C14H22O.Na,,,,,,ITBBQYJVKRRIEE-UHFFFAOYSA-M,,,,,,,,,,,
100.074.185,281-628-4,84000-72-6,"1,3-dimethylbutyl chloroformate","1,3-dimethylbutyl chlorocarbonate",CC(C)CC(C)OC(=O)Cl,CC(C)CC(C)OC(=O)Cl,"InChI=1/C7H13ClO2/c1-5(2)4-6(3)10-7(8)9/h5-6H,4H2,1-3H3",C7H13ClO2,,,,,,DFDVWGPSPQCTBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.189,281-633-1,84000-76-0,1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium thiocyanate,1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium thiocyanate,[S-]C#N.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[S-]C#N.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H21ClN5O2.CHNS/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;2-1-3/h3-13,16H,2,14-15H2,1H3;3H/q+1;/p-1",C21H21ClN5O2.CNS,,,,,,FESJLROWCGMGMK-UHFFFAOYSA-M,,,,,,,,,,,
100.074.199,281-644-1,84000-87-3,Sodium 3-chlorosulphanilate,sodium 4-amino-3-chlorobenzenesulfonate,[Na+].Nc1ccc(cc1Cl)S(=O)(=O)[O-],[Na+].Nc1ccc(cc1Cl)S(=O)(=O)[O-],"InChI=1/C6H6ClNO3S.Na/c7-5-3-4(12(9,10)11)1-2-6(5)8;/h1-3H,8H2,(H,9,10,11);/q;+1/p-1",C6H6ClNO3S.Na,,,,,,PBOKCLUAFLDYTP-UHFFFAOYSA-M,,,,,,,,,,,
100.074.201,281-646-2,84000-90-8,"4,4-dihydroxybutyraldehyde","4,4-dihydroxybutanal",OC(O)CCC=O,OC(O)CCC=O,"InChI=1/C4H8O3/c5-3-1-2-4(6)7/h3-4,6-7H,1-2H2",C4H8O3,,,,,,HGKJJMZJPGAWPS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.206,281-652-5,84000-95-3,"Sulphuric acid, ammonium chromium sodium salt",-,[NH4+].[Na+].[Cr+2].[O-]S(=O)(=O)[O-],[NH4+].[Na+].[Cr+2].[O-]S(=O)(=O)[O-],"InChI=1/Cr.H3N.Na.H2O4S/c;;;1-5(2,3)4/h;1H3;;(H2,1,2,3,4)/q+2;;+1;/p-1",Cr.xH3N.xH2O4S.xNa,,,,,,ZNPIQGPCOHSRST-UHFFFAOYSA-M,,,,,,,,,,,
100.073.583,280-964-9,83817-64-5,Dimethoxy[2-methoxy-4-(1-propenyl)phenoxy]methylsilane,[dimethoxy(2-methoxy-4-prop-1-en-1-ylphenoxy)methyl]silane,COc1cc(ccc1OC([SiH3])(OC)OC)C=CC,COc1cc(ccc1OC([SiH3])(OC)OC)C=CC,"InChI=1/C13H20O4Si/c1-5-6-10-7-8-11(12(9-10)14-2)17-13(18,15-3)16-4/h5-9H,1-4,18H3",C13H20O4Si,,,,,,YZHDDIGDJBWNSC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.586,280-968-0,83817-67-8,Dimethoxymethyl[(3-phenylallyl)oxy]silane,(dimethoxymethyl)[(3-phenylprop-2-en-1-yl)oxy]silane,COC(OC)[SiH2]OC\\C=C\\c1ccccc1,COC(OC)[SiH2]OC\C=C\c1ccccc1,"InChI=1/C12H18O3Si/c1-13-12(14-2)16-15-10-6-9-11-7-4-3-5-8-11/h3-9,12H,10,16H2,1-2H3",C12H18O3Si,,,,,,INMRECVBWRVZQG-RMKNXTFCSA-N,,,,,,,,,,,
100.073.594,280-976-4,83817-75-8,Bis[4-allyl-2-methoxyphenoxy]methoxymethylsilane,{[bis(4-allyl-2-methoxyphenoxy)methoxy]methyl}silane,COc1cc(CC=C)ccc1OC(OC[SiH3])Oc2ccc(CC=C)cc2OC,COc1cc(CC=C)ccc1OC(OC[SiH3])Oc2ccc(CC=C)cc2OC,"InChI=1/C22H28O5Si/c1-5-7-16-9-11-18(20(13-16)23-3)26-22(25-15-28)27-19-12-10-17(8-6-2)14-21(19)24-4/h5-6,9-14,22H,1-2,7-8,15H2,3-4,28H3",C22H28O5Si,,,,,,ATFUMTMNYMGDBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.600,280-983-2,83833-10-7,"Benzyldiethyl[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]ammonium acetate","N-benzyl-N,N-diethyl-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanaminium acetate",CC[N+](CC)(CCOc1ccc(cc1)C(C)(C)CC(C)(C)C)Cc2ccccc2.CC(=O)[O-],CC[N+](CC)(CCOc1ccc(cc1)C(C)(C)CC(C)(C)C)Cc2ccccc2.CC(=O)[O-],"InChI=1/C27H42NO.C2H4O2/c1-8-28(9-2,21-23-13-11-10-12-14-23)19-20-29-25-17-15-24(16-18-25)27(6,7)22-26(3,4)5;1-2(3)4/h10-18H,8-9,19-22H2,1-7H3;1H3,(H,3,4)/q+1;/p-1",C27H42NO.C2H3O2,,,,,,AIKFJOANXHCYGD-UHFFFAOYSA-M,,,,,,,,,,,
100.073.611,280-995-8,83833-21-0,"Tetradecyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannadocosanoate","tetradecyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannadocosan-1-oate",CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCCCCCCC,"InChI=1/2C16H32O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;2*1-3-4-2;/h2*19H,2-15H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC40H80O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-43-39(41)37-45-47(35-11-7-3,36-12-8-4)46-38-40(42)44-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-38H2,1-4H3",C40H80O4S2Sn,,,,,,JVVULFHXDXRODO-UHFFFAOYSA-L,,,,,,,,,,,
100.073.616,281-002-0,83833-27-6,"Decyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate","decyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosan-1-oate",CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC,"InChI=1/2C13H26O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*16H,2-12H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC50H100O4S2Sn/c1-5-9-13-17-21-25-27-31-35-39-47-57(48-40-36-32-28-26-22-18-14-10-6-2,55-45-41-49(51)53-43-37-33-29-23-19-15-11-7-3)56-46-42-50(52)54-44-38-34-30-24-20-16-12-8-4/h5-48H2,1-4H3",C50H100O4S2Sn,,,,,,OGYQJYUEGRTCLN-UHFFFAOYSA-L,,,,,,,,,,,
100.073.622,281-008-3,83833-33-4,1-bromo-4-(1-chlorobutenyl)benzene,1-bromo-4-(1-chlorobut-1-en-1-yl)benzene,ClC(=CCC)c1ccc(Br)cc1,ClC(=CCC)c1ccc(Br)cc1,"InChI=1/C10H10BrCl/c1-2-3-10(12)8-4-6-9(11)7-5-8/h3-7H,2H2,1H3",C10H10BrCl,,,,,,WKDXWCCEMCZYBN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.360,279-620-0,80904-51-4,"4-chloro-2',4',6'-trimethoxybutyrophenone","4-chloro-1-(2,4,6-trimethoxyphenyl)butan-1-one",COc1cc(OC)c(C(=O)CCCCl)c(OC)c1,COc1cc(OC)c(C(=O)CCCCl)c(OC)c1,"InChI=1/C13H17ClO4/c1-16-9-7-11(17-2)13(12(8-9)18-3)10(15)5-4-6-14/h7-8H,4-6H2,1-3H3",C13H17ClO4,,,,,,KXDSHDKQUXYLDB-UHFFFAOYSA-N,,,,,,,,,,,
100.076.186,283-836-0,84731-76-0,"1,7,7-trimethyl-2-(2-pyridyl)bicyclo[2.2.1]heptan-2-ol","1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol",CC1(C)C2CCC1(C)C(O)(C2)c3ccccn3,CC1(C)C2CCC1(C)C(O)(C2)c3ccccn3,"InChI=1/C15H21NO/c1-13(2)11-7-8-14(13,3)15(17,10-11)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3",C15H21NO,,,,,,WUPYCTDTAKFJQT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.188,283-838-1,84732-26-3,"Diammonium 3-nitronaphthalene-1,5-disulphonate","diammonium 3-nitronaphthalene-1,5-disulfonate",[NH4+].[NH4+].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[NH4+].[NH4+].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H7NO8S2.2H3N/c12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16;;/h1-5H,(H,14,15,16)(H,17,18,19);2*1H3",C10H7NO8S2.2H3N,,,,,,ZLQKSFYNLRAKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.191,283-841-8,84752-96-5,"Phosphoric acid, compound with 1,4-dioxane (2:1)","1,4-dioxane - phosphoric acid (1:2)",OP(=O)(O)O.OP(=O)(O)O.C1COCCO1,OP(=O)(O)O.OP(=O)(O)O.C1COCCO1,"InChI=1/C4H8O2.2H3O4P/c1-2-6-4-3-5-1;2*1-5(2,3)4/h1-4H2;2*(H3,1,2,3,4)",C4H8O2.2H3O4P,,,,,,VJKCMQLLUPVPJC-UHFFFAOYSA-N,,,,,,,,,,,
100.076.196,283-847-0,84753-01-5,"4,5-dihydro-5-oxo-1-phenyl-4-[[4-(phenylazo)phenyl]azo]-1H-pyrazole-3-carboxamide","5-oxo-1-phenyl-4-{[4-(phenyldiazenyl)phenyl]diazenyl}-4,5-dihydro-1H-pyrazole-3-carboxamide",NC(=O)C/4=N/N(c1ccccc1)C(=O)C\\4N=Nc3ccc(N=Nc2ccccc2)cc3,NC(=O)C/4=N/N(c1ccccc1)C(=O)C\4N=Nc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C22H17N7O2/c23-21(30)19-20(22(31)29(28-19)18-9-5-2-6-10-18)27-26-17-13-11-16(12-14-17)25-24-15-7-3-1-4-8-15/h1-14,20H,(H2,23,30)",C22H17N7O2,,,,,,JPOGZXYYWANLQL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.198,283-849-1,84753-03-7,2-hydroxyhexadecyl dihydrogen phosphate,2-hydroxyhexadecyl dihydrogen phosphate,CCCCCCCCCCCCCCC(O)COP(=O)(O)O,CCCCCCCCCCCCCCC(O)COP(=O)(O)O,"InChI=1/C16H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-21-22(18,19)20/h16-17H,2-15H2,1H3,(H2,18,19,20)",C16H35O5P,,,,,,RUWOTBASWCAIML-UHFFFAOYSA-N,,,,,,,,,,,
100.076.202,283-853-3,84753-07-1,Vinyl p-chlorobenzenesulphonate,vinyl 4-chlorobenzenesulfonate,Clc1ccc(cc1)S(=O)(=O)OC=C,Clc1ccc(cc1)S(=O)(=O)OC=C,"InChI=1/C8H7ClO3S/c1-2-12-13(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2",C8H7ClO3S,,,,,,AOLDJEQPBSWTNK-UHFFFAOYSA-N,,,,,,,,,,,
100.076.204,283-855-4,84753-09-3,"3-(hexadec-2-enyl)-1-octadecylpyrrolidine-2,5-dione","3-hexadec-2-en-1-yl-1-octadecylpyrrolidine-2,5-dione",O=C1CC(CC=CCCCCCCCCCCCCC)C(=O)N1CCCCCCCCCCCCCCCCCC,O=C1CC(CC=CCCCCCCCCCCCCC)C(=O)N1CCCCCCCCCCCCCCCCCC,"InChI=1/C38H71NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39-37(40)35-36(38(39)41)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h29,31,36H,3-28,30,32-35H2,1-2H3",C38H71NO2,,,,,,PQNJPWTVYGXVTK-UHFFFAOYSA-N,,,,,,,,,,,
100.047.171,251-904-9,34270-33-2,Disodium N-(carboxylatomethyl)-N-[(2-hydroxyphenyl)methyl]glycinate,"disodium 2,2'-[(2-hydroxybenzyl)imino]diacetate",[Na+].[Na+].Oc1ccccc1CN(CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].Oc1ccccc1CN(CC(=O)[O-])CC(=O)[O-],"InChI=1/C11H13NO5.2Na/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17;;/h1-4,13H,5-7H2,(H,14,15)(H,16,17);;/q;2*+1/p-2",C11H13NO5.2Na,,,,,,RNVZAFDZRKNRMS-UHFFFAOYSA-L,,,,,,,,,,,
100.047.173,251-907-5,34274-04-9,"N-(3-methoxypropyl)-3,4,5-trimethoxybenzylamine","3-methoxy-N-(3,4,5-trimethoxybenzyl)propan-1-amine",COCCCNCc1cc(OC)c(OC)c(OC)c1,COCCCNCc1cc(OC)c(OC)c(OC)c1,"InChI=1/C14H23NO4/c1-16-7-5-6-15-10-11-8-12(17-2)14(19-4)13(9-11)18-3/h8-9,15H,5-7,10H2,1-4H3",C14H23NO4,,,,,,HUQQTKINPXSDCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.181,251-915-9,34282-89-8,"1-ethyl-3-methyl-5-[[3-[3-(sulphooxy)propyl]-3H-benzoxazol-2-ylidene]ethylidene]-2-thioxoimidazolidin-4-one, compound with triethylamine (1:1)","3-{2-[2-(3-ethyl-1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)ethylidene]-1,3-benzoxazol-3(2H)-yl}propyl hydrogen sulfate - N,N-diethylethanamine (1:1)",CCN(CC)CC.OS(=O)(=O)OCCCN2c3ccccc3OC2=CC=C1C(=O)N(C)C(=S)N1CC,CCN(CC)CC.OS(=O)(=O)OCCCN2c3ccccc3OC2=CC=C1C(=O)N(C)C(=S)N1CC,"InChI=1/C18H21N3O6S2.C6H15N/c1-3-20-14(17(22)19(2)18(20)28)9-10-16-21(11-6-12-26-29(23,24)25)13-7-4-5-8-15(13)27-16;1-4-7(5-2)6-3/h4-5,7-10H,3,6,11-12H2,1-2H3,(H,23,24,25);4-6H2,1-3H3",C18H21N3O6S2.C6H15N,,,,,,WTMQBVYCFKLEHU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.189,251-924-8,34296-07-6,Barium pentyl phosphate,barium pentyl phosphate,[Ba+2].CCCCCOP(=O)([O-])[O-],[Ba+2].CCCCCOP(=O)([O-])[O-],"InChI=1/C5H13O4P.Ba/c1-2-3-4-5-9-10(6,7)8;/h2-5H2,1H3,(H2,6,7,8);/q;+2/p-2",C5H13O4P.Ba,,,,,,IPOWAPLRNZJHRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.047.190,251-925-3,34297-27-3,Methyl 3-mercapto-D-valinate hydrochloride,methyl 3-sulfanyl-D-valinate hydrochloride,Cl.COC(=O)[C@H](N)C(C)(C)S,Cl.COC(=O)[C@H](N)C(C)(C)S,"InChI=1/C6H13NO2S.ClH/c1-6(2,10)4(7)5(8)9-3;/h4,10H,7H2,1-3H3;1H",C6H13NO2S.ClH,,,,,,ITHGGMSDPOKFOA-WCCKRBBISA-N,,,,,,,,,,,
100.047.191,251-926-9,34301-55-8,Isometamidium chloride,3-amino-8-[3-(3-carbamimidoylphenyl)triaz-2-en-1-yl]-5-ethyl-6-phenylphenanthridinium chloride,[Cl-].NC(=N)c1cc(ccc1)N=NNc3ccc4c2ccc(N)cc2[n+](CC)c(c4c3)c5ccccc5,[Cl-].NC(=N)c1cc(ccc1)N=NNc3ccc4c2ccc(N)cc2[n+](CC)c(c4c3)c5ccccc5,"InChI=1/C28H25N7.ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H",C28H26N7.Cl,,,,,,QNZJTSGALAVCLH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.187,279-430-8,80228-93-9,"N,N'-[3-(4-chlorophenyl)-2-(methylimino)-4,5-thiazolidinediylidene]bis[trifluoromethylamine]","N,N'-[3-(4-chlorophenyl)-2-(methylimino)-1,3-thiazolidine-4,5-diylidene]bis(1,1,1-trifluoromethanamine)",CN=C2SC(=NC(F)(F)F)C(=NC(F)(F)F)N2c1ccc(Cl)cc1,CN=C2SC(=NC(F)(F)F)C(=NC(F)(F)F)N2c1ccc(Cl)cc1,"InChI=1/C12H7ClF6N4S/c1-20-10-23(7-4-2-6(13)3-5-7)8(21-11(14,15)16)9(24-10)22-12(17,18)19/h2-5H,1H3",C12H7ClF6N4S,,,,,,HBLSGPQATABNRY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.190,279-433-4,80272-06-6,"3-(3,4-dichlorophenyl)-3-phenylpropionic acid","3-(3,4-dichlorophenyl)-3-phenylpropanoic acid",OC(=O)CC(c1ccccc1)c2ccc(Cl)c(Cl)c2,OC(=O)CC(c1ccccc1)c2ccc(Cl)c(Cl)c2,"InChI=1/C15H12Cl2O2/c16-13-7-6-11(8-14(13)17)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,18,19)",C15H12Cl2O2,,,,,,JRHMQMLBHSQASA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.193,279-437-6,80272-27-1,"3-(3,4-dichlorophenyl)indan-1-one","3-(3,4-dichlorophenyl)indan-1-one",Clc1ccc(cc1Cl)C2CC(=O)c3ccccc23,Clc1ccc(cc1Cl)C2CC(=O)c3ccccc23,"InChI=1/C15H10Cl2O/c16-13-6-5-9(7-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2",C15H10Cl2O,,,,,,KNKXPMHZNDQQHO-UHFFFAOYSA-N,,,,,,,,,,,
100.073.623,281-009-9,83833-34-5,"2-(3,4-dichlorophenyl)-2-methoxyacetyl chloride","(3,4-dichlorophenyl)(methoxy)acetyl chloride",COC(C(=O)Cl)c1ccc(Cl)c(Cl)c1,COC(C(=O)Cl)c1ccc(Cl)c(Cl)c1,"InChI=1/C9H7Cl3O2/c1-14-8(9(12)13)5-2-3-6(10)7(11)4-5/h2-4,8H,1H3",C9H7Cl3O2,,,,,,MPPQGAXHXULEHG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.254,282-805-9,84434-07-1,"2,2'-[carbonylbis(4,1-phenylenethio)]bis(acetic) acid","2,2'-[carbonylbis(4,1-phenylenesulfanediyl)]diacetic acid",OC(=O)CSc1ccc(cc1)C(=O)c2ccc(SCC(=O)O)cc2,OC(=O)CSc1ccc(cc1)C(=O)c2ccc(SCC(=O)O)cc2,"InChI=1/C17H14O5S2/c18-15(19)9-23-13-5-1-11(2-6-13)17(22)12-3-7-14(8-4-12)24-10-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)",C17H14O5S2,,,,,,RYMGLXBJEKOMPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.256,282-808-5,84434-09-3,1-[(4-benzoylphenyl)methyl]pyridinium bromide,1-(4-benzoylbenzyl)pyridinium bromide,[Br-].O=C(c1ccccc1)c2ccc(C[n+]3ccccc3)cc2,[Br-].O=C(c1ccccc1)c2ccc(C[n+]3ccccc3)cc2,"InChI=1/C19H16NO.BrH/c21-19(17-7-3-1-4-8-17)18-11-9-16(10-12-18)15-20-13-5-2-6-14-20;/h1-14H,15H2;1H/q+1;/p-1",C19H16NO.Br,,,,,,RJVZVOBINMXCGC-UHFFFAOYSA-M,,,,,,,,,,,
100.075.263,282-815-3,84434-16-2,"N,N,N-triethylanilinium phenylsulphonate","N,N,N-triethylanilinium benzenesulfonate",CC[N+](CC)(CC)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,CC[N+](CC)(CC)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,"InChI=1/C12H20N.C6H6O3S/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;7-10(8,9)6-4-2-1-3-5-6/h7-11H,4-6H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1",C12H20N.C6H5O3S,,,,,,XTHYWQWRORBMLG-UHFFFAOYSA-M,,,,,,,,,,,
100.075.266,282-819-5,84434-19-5,Hex-3-enyl hexanoate,hex-3-en-1-yl hexanoate,CCC=CCCOC(=O)CCCCC,CCC=CCCOC(=O)CCCCC,"InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3",C12H22O2,,,,,,RGACQXBDYBCJCY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.271,282-824-2,84434-24-2,"3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl acetate","1-ethynyl-1,5,9-trimethyldeca-4,8-dien-1-yl acetate",CC(=O)OC(C)(CCC=C(C)CC\\C=C(/C)C)C#C,CC(=O)OC(C)(CCC=C(C)CC\C=C(/C)C)C#C,"InChI=1/C17H26O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h1,10,12H,8-9,11,13H2,2-6H3",C17H26O2,,,,,,HZLKVCNGPBLZPF-UHFFFAOYSA-N,,,,,,,,,,,
100.075.275,282-828-4,84434-30-0,"3-ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]naphtho[2,1-d]thiazolium toluene-p-sulphonate","3-ethyl-2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]naphtho[2,1-d][1,3]thiazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]4c5ccc1ccccc1c5sc4C=C3Sc2ccccc2N3C,[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]4c5ccc1ccccc1c5sc4C=C3Sc2ccccc2N3C,"InChI=1/C22H19N2S2.C7H8O3S/c1-3-24-18-13-12-15-8-4-5-9-16(15)22(18)26-21(24)14-20-23(2)17-10-6-7-11-19(17)25-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C22H19N2S2.C7H7O3S,,,,,,NJFAXGXALHPHCH-UHFFFAOYSA-M,,,,,,,,,,,
100.075.278,282-832-6,84434-34-4,"2-[2-[2-(4-chlorophenyl)-1-methyl-1H-indol-3-yl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium iodide","2-{2-[2-(4-chlorophenyl)-1-methyl-1H-indol-3-yl]vinyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium iodide",[I-].COC(=O)c1ccc2c(c1)C(C)(C)C(=[N+]2C)\\C=C\\c3c(c4ccc(Cl)cc4)n(C)c5ccccc35,[I-].COC(=O)c1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccc(Cl)cc4)n(C)c5ccccc35,"InChI=1/C30H28ClN2O2.HI/c1-30(2)24-18-20(29(34)35-5)12-16-26(24)32(3)27(30)17-15-23-22-8-6-7-9-25(22)33(4)28(23)19-10-13-21(31)14-11-19;/h6-18H,1-5H3;1H/q+1;/p-1",C30H28ClN2O2.I,,,,,,CIPGJJFERNKQAI-UHFFFAOYSA-M,,,,,,,,,,,
100.075.280,282-834-7,84434-36-6,"1,8-bis[[4-(1,1-dimethylethyl)phenyl]thio]-4,5-bis(phenylthio)anthraquinone","1,8-bis[(4-tert-butylphenyl)sulfanyl]-4,5-bis(phenylsulfanyl)-9,10-anthraquinone",CC(C)(C)c1ccc(Sc2ccc(Sc3ccccc3)c4C(=O)c5c(Sc6ccccc6)ccc(Sc7ccc(cc7)C(C)(C)C)c5C(=O)c24)cc1,CC(C)(C)c1ccc(Sc2ccc(Sc3ccccc3)c4C(=O)c5c(Sc6ccccc6)ccc(Sc7ccc(cc7)C(C)(C)C)c5C(=O)c24)cc1,"InChI=1/C46H40O2S4/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-25-35(49-31-13-9-7-10-14-31)39-41(37)44(48)42-38(52-34-23-19-30(20-24-34)46(4,5)6)28-26-36(40(42)43(39)47)50-32-15-11-8-12-16-32/h7-28H,1-6H3",C46H40O2S4,,,,,,HFKWGVOSNHANEH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.804,279-008-3,78925-22-1,"3,10-bis[(4-amino-2,5-disulphophenyl)amino]-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid","3,10-bis[(4-amino-2,5-disulfophenyl)amino]-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",Nc1cc(c(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7cc(c(N)cc7S(=O)(=O)O)S(=O)(=O)O)c6S(=O)(=O)O)N=C5C(=C4Oc3c2S(=O)(=O)O)Cl)Cl)cc1S(=O)(=O)O)S(=O)(=O)O,Nc1cc(c(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7cc(c(N)cc7S(=O)(=O)O)S(=O)(=O)O)c6S(=O)(=O)O)N=C5C(=C4Oc3c2S(=O)(=O)O)Cl)Cl)cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C30H20Cl2N6O20S6/c31-21-23-27(57-25-11(37-23)1-3-13(29(25)63(51,52)53)35-15-7-17(59(39,40)41)9(33)5-19(15)61(45,46)47)22(32)24-28(21)58-26-12(38-24)2-4-14(30(26)64(54,55)56)36-16-8-18(60(42,43)44)10(34)6-20(16)62(48,49)50/h1-8,35-36H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)",C30H20Cl2N6O20S6,,,,,,KTAOIBPHDVTOGV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.082,284-821-1,84963-20-2,"2,6,10,10-tetramethylbicyclo[7.2.0]undecan-3-ol","2,6,10,10-tetramethylbicyclo[7.2.0]undecan-3-ol",CC1CCC(O)C(C)C2CC(C)(C)C2CC1,CC1CCC(O)C(C)C2CC(C)(C)C2CC1,"InChI=1/C15H28O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h10-14,16H,5-9H2,1-4H3",C15H28O,,,,,,ZUHPEDITQIGEDD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.083,284-822-7,84963-21-3,"6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-en-3-yl acetate","6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-en-3-yl acetate",CC(=O)OC1C\\C=C(\\C)/CCC2C(CC2(C)C)C1=C,CC(=O)OC1C\C=C(\C)/CCC2C(CC2(C)C)C1=C,"InChI=1/C17H26O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h7,14-16H,2,6,8-10H2,1,3-5H3",C17H26O2,,,,,,PCWBTUVJUUAINW-XFFZJAGNSA-N,,,,,,,,,,,
100.077.084,284-823-2,84963-22-4,"2,6,10,10-tetramethylbicyclo[7.2.0]undec-5-en-3-yl acetate","2,6,10,10-tetramethylbicyclo[7.2.0]undec-5-en-3-yl acetate",CC1C(C\\C=C(\\C)/CCC2C1CC2(C)C)OC(=O)C,CC1C(C\C=C(\C)/CCC2C1CC2(C)C)OC(=O)C,"InChI=1/C17H28O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h7,12,14-16H,6,8-10H2,1-5H3",C17H28O2,,,,,,KHMKMDPIRWLYKU-XFFZJAGNSA-N,,,,,,,,,,,
100.077.085,284-824-8,84963-23-5,"2,6,10,10-tetramethylbicyclo[7.2.0]undec-3-yl acetate","2,6,10,10-tetramethylbicyclo[7.2.0]undec-3-yl acetate",CC1CCC(OC(=O)C)C(C)C2CC(C)(C)C2CC1,CC1CCC(OC(=O)C)C(C)C2CC(C)(C)C2CC1,"InChI=1/C17H30O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h11-12,14-16H,6-10H2,1-5H3",C17H30O2,,,,,,LMHUOHXVAYEILF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.086,284-825-3,84963-24-6,5-(diethoxymethyl)-2-methyl-8-(1-methylethyl)bicyclo[2.2.2]oct-2-ene,5-(diethoxymethyl)-8-isopropyl-2-methylbicyclo[2.2.2]oct-2-ene,CCOC(OCC)C1CC2CC(C(C)C)C1C=C2C,CCOC(OCC)C1CC2CC(C(C)C)C1C=C2C,"InChI=1/C17H30O2/c1-6-18-17(19-7-2)16-10-13-9-14(11(3)4)15(16)8-12(13)5/h8,11,13-17H,6-7,9-10H2,1-5H3",C17H30O2,,,,,,SFEGCELBBKPZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.091,284-831-6,84963-29-1,"7-isopropyl-3,5-dimethyl-a-vinylbicyclo[2.2.2]oct-5-ene-2-methanol","1-(7-isopropyl-3,5-dimethylbicyclo[2.2.2]oct-5-en-2-yl)prop-2-en-1-ol",CC(C)C1CC2C(C)C(C(O)C=C)C1C=C2C,CC(C)C1CC2C(C)C(C(O)C=C)C1C=C2C,"InChI=1/C16H26O/c1-6-15(17)16-11(5)13-8-12(9(2)3)14(16)7-10(13)4/h6-7,9,11-17H,1,8H2,2-5H3",C16H26O,,,,,,LEPGSXUGAUWCHA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.648,281-037-1,83846-60-0,2-[chloro(4-fluorophenyl)methylene]butyraldehyde,2-[chloro(4-fluorophenyl)methylene]butanal,ClC(c1ccc(F)cc1)=C(C=O)CC,ClC(c1ccc(F)cc1)=C(C=O)CC,"InChI=1/C11H10ClFO/c1-2-8(7-14)11(12)9-3-5-10(13)6-4-9/h3-7H,2H2,1H3",C11H10ClFO,,,,,,ZGIFYCALAOVWQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.649,281-038-7,83846-61-1,2-[chloro(4-chlorophenyl)methylene]butyraldehyde,2-[chloro(4-chlorophenyl)methylene]butanal,ClC(c1ccc(Cl)cc1)=C(C=O)CC,ClC(c1ccc(Cl)cc1)=C(C=O)CC,"InChI=1/C11H10Cl2O/c1-2-8(7-14)11(13)9-3-5-10(12)6-4-9/h3-7H,2H2,1H3",C11H10Cl2O,,,,,,OAJQRQQZKIQFMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.652,281-041-3,83846-64-4,2-(2-iminothiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-one,"2-(2-imino-1,3-thiazolidin-3-yl)-1-(3-nitrophenyl)ethanone",[O-][N+](=O)c1cccc(c1)C(=O)CN2CCSC2=N,[O-][N+](=O)c1cccc(c1)C(=O)CN2CCSC2=N,"InChI=1/C11H11N3O3S/c12-11-13(4-5-18-11)7-10(15)8-2-1-3-9(6-8)14(16)17/h1-3,6,12H,4-5,7H2",C11H11N3O3S,,,,,,FQZICXNEDHUJQD-UHFFFAOYSA-N,,,,,,,,,,,
100.073.653,281-042-9,83846-65-5,2-(2-iminothiazolidin-3-yl)-1-phenylethan-1-one monohydrochloride,"2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone hydrochloride",Cl.N=C1SCCN1CC(=O)c2ccccc2,Cl.N=C1SCCN1CC(=O)c2ccccc2,"InChI=1/C11H12N2OS.ClH/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;/h1-5,12H,6-8H2;1H",C11H12N2OS.ClH,,,,,,RVQNGDQXERIBCI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.659,281-049-7,83846-71-3,Methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-en-1-oate,methyl 2-(heptafluoropropyl)-2-(trifluoromethyl)pent-4-enoate,COC(=O)C(CC=C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,COC(=O)C(CC=C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H8F10O2/c1-3-4-6(5(21)22-2,9(15,16)17)7(11,12)8(13,14)10(18,19)20/h3H,1,4H2,2H3",C10H8F10O2,,,,,,CZHAQBXHTVRAAA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.662,281-052-3,83846-74-6,N-[2-(diethylamino)ethyl]-5-(ethylsulphonyl)-2-methoxybenzamide monohydrochloride,N-[2-(diethylamino)ethyl]-5-(ethylsulfonyl)-2-methoxybenzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)CC,Cl.CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)CC,"InChI=1/C16H26N2O4S.ClH/c1-5-18(6-2)11-10-17-16(19)14-12-13(23(20,21)7-3)8-9-15(14)22-4;/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,19);1H",C16H26N2O4S.ClH,,,,,,ATTNAFBJGBUXDK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.361,279-621-6,80909-29-1,"[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]trimethylammonium iodide","4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-N,N,N-trimethyl-10-(trifluoromethyl)undecan-1-aminium iodide",[I-].C[N+](C)(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[I-].C[N+](C)(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C15H15F19NO.HI/c1-35(2,3)5-6(36)4-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34;/h6,36H,4-5H2,1-3H3;1H/q+1;/p-1",C15H15F19NO.I,,,,,,BPGOAOSBJKHSJL-UHFFFAOYSA-M,,,,,,,,,,,
100.072.370,279-631-0,80937-23-1,"4-(3,4-dimethoxyphenyl)-4-oxocrotonic acid","4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid",COc1ccc(cc1OC)C(=O)\\C=C\\C(=O)O,COc1ccc(cc1OC)C(=O)\C=C\C(=O)O,"InChI=1/C12H12O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3-7H,1-2H3,(H,14,15)",C12H12O5,,,,,,QUWWWXPLUJFEHM-GQCTYLIASA-N,,,,,,,,,,,
100.072.372,279-633-1,80944-44-1,trans-p-(4-propylcyclohexyl)phenetole,1-ethoxy-4-(4-propylcyclohexyl)benzene,CCCC1CCC(CC1)c2ccc(OCC)cc2,CCCC1CCC(CC1)c2ccc(OCC)cc2,"InChI=1/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3",C17H26O,,,,,,OXBRRUNAAVNTOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.374,279-635-2,80953-62-4,"1-benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate",1-[(benzyloxy)carbonyl]-5-oxoproline,OC(=O)C1CCC(=O)N1C(=O)OCc2ccccc2,OC(=O)C1CCC(=O)N1C(=O)OCc2ccccc2,"InChI=1/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)",C13H13NO5,,,,,,VHSFUGXCSGOKJX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.006,281-432-9,83949-73-9,"2-[2-(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)","bis{1,3,3-trimethyl-2-[2-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)vinyl]-3H-indolium} sulfate",C[N+]1=C(\\C=C\\N2CCC(=N2)c3ccccc3)C(C)(C)c4ccccc14.C[N+]5=C(\\C=C\\N6CCC(=N6)c7ccccc7)C(C)(C)c8ccccc58.[O-]S(=O)(=O)[O-],C[N+]1=C(\C=C\N2CCC(=N2)c3ccccc3)C(C)(C)c4ccccc14.C[N+]5=C(\C=C\N6CCC(=N6)c7ccccc7)C(C)(C)c8ccccc58.[O-]S(=O)(=O)[O-],"InChI=1/2C22H24N3.H2O4S/c2*1-22(2)18-11-7-8-12-20(18)24(3)21(22)14-16-25-15-13-19(23-25)17-9-5-4-6-10-17;1-5(2,3)4/h2*4-12,14,16H,13,15H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C22H24N3.1/2O4S,,,,,,SZMCCGCEOJDLQV-UHFFFAOYSA-L,,,,,,,,,,,
100.075.432,283-001-0,84522-05-4,"2-ethylhexyl dihydrogen phosphate, compound with morpholine (1:1)",2-ethylhexyl dihydrogen phosphate - morpholine (1:1),OP(O)(=O)OCC(CC)CCCC.C1CNCCO1,OP(O)(=O)OCC(CC)CCCC.C1CNCCO1,"InChI=1/C8H19O4P.C4H9NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;1-3-6-4-2-5-1/h8H,3-7H2,1-2H3,(H2,9,10,11);5H,1-4H2",C8H19O4P.C4H9NO,,,,,,RWMSPKVMXGCFCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.437,283-006-8,84522-11-2,Methyl 3-[(4-methoxyphenyl)amino]-3-oxopropionate,methyl 3-[(4-methoxyphenyl)amino]-3-oxopropanoate,COC(=O)CC(=O)Nc1ccc(OC)cc1,COC(=O)CC(=O)Nc1ccc(OC)cc1,"InChI=1/C11H13NO4/c1-15-9-5-3-8(4-6-9)12-10(13)7-11(14)16-2/h3-6H,7H2,1-2H3,(H,12,13)",C11H13NO4,,,,,,OYECIKAJRJDBLD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.438,283-007-3,84522-12-3,2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hydrogen sulphate,2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hydrogen sulfate,CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.[O-]S(=O)(=O)[O-],CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/C14H12Cl2N3O.H2O4S/c1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;1-5(2,3)4/h3-8H,1-2H3;(H2,1,2,3,4)/q+1;/p-2",C14H12Cl2N3O.HO4S,,,,,,GWGNUZPWCSZTGR-UHFFFAOYSA-L,,,,,,,,,,,
100.075.441,283-011-5,84522-15-6,N-(2-methoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide,3-[(2-methoxyphenyl)carbamoyl]-2-naphthyl dihydrogen phosphate,COc1ccccc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,COc1ccccc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,"InChI=1/C18H16NO6P/c1-24-16-9-5-4-8-15(16)19-18(20)14-10-12-6-2-3-7-13(12)11-17(14)25-26(21,22)23/h2-11H,1H3,(H,19,20)(H2,21,22,23)",C18H16NO6P,,,,,,OQFPBLDHWBQYNM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.451,283-022-5,84522-27-0,Methyl 7-isopropyl-5-methylbicyclo[2.2.2]octane-2-carboxylate,methyl 7-isopropyl-5-methylbicyclo[2.2.2]octane-2-carboxylate,COC(=O)C1CC2CC(C(C)C)C1CC2C,COC(=O)C1CC2CC(C(C)C)C1CC2C,"InChI=1/C14H24O2/c1-8(2)11-6-10-7-13(14(15)16-4)12(11)5-9(10)3/h8-13H,5-7H2,1-4H3",C14H24O2,,,,,,GDVXOQCKZGGAQG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.452,283-023-0,84522-28-1,7-isopropyl-5-methyl-a-vinylbicyclo[2.2.2]octane-2-methanol,1-(7-isopropyl-5-methylbicyclo[2.2.2]oct-2-yl)prop-2-en-1-ol,CC(C)C1CC2CC(C(O)C=C)C1CC2C,CC(C)C1CC2CC(C(O)C=C)C1CC2C,"InChI=1/C15H26O/c1-5-15(16)14-8-11-7-12(9(2)3)13(14)6-10(11)4/h5,9-16H,1,6-8H2,2-4H3",C15H26O,,,,,,CPXNYDJEIBAYLC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.455,283-026-7,84522-31-6,2-(diethoxymethyl)-5-methyl-7-(1-methylethyl)bicyclo[2.2.2]octane,2-(diethoxymethyl)-7-isopropyl-5-methylbicyclo[2.2.2]octane,CCOC(OCC)C1CC2CC(C(C)C)C1CC2C,CCOC(OCC)C1CC2CC(C(C)C)C1CC2C,"InChI=1/C17H32O2/c1-6-18-17(19-7-2)16-10-13-9-14(11(3)4)15(16)8-12(13)5/h11-17H,6-10H2,1-5H3",C17H32O2,,,,,,RUXYPQUTFBZPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.456,283-027-2,84522-32-7,2-[2-(tetrahydro-2-furyl)ethyl]pyridine,2-[2-(tetrahydrofuran-2-yl)ethyl]pyridine,C(Cc1ccccn1)C2CCCO2,C(Cc1ccccn1)C2CCCO2,"InChI=1/C11H15NO/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h1-2,4,8,11H,3,5-7,9H2",C11H15NO,,,,,,ULTYOAAXRRZFKW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.195,251-931-6,34316-54-6,3-bromo-10-(2-bromo-10-oxoanthracen-9(10H)-ylidene)anthracen-9(10H)-one,"2,2'-dibromo-10H,10'H-9,9'-bianthracene-10,10'-dione",Brc2ccc3C(=O)c1ccccc1C(c3c2)=C6c4ccccc4C(=O)c5ccc(Br)cc56,Brc2ccc3C(=O)c1ccccc1C(c3c2)=C6c4ccccc4C(=O)c5ccc(Br)cc56,InChI=1/C28H14Br2O2/c29-15-9-11-21-23(13-15)25(17-5-1-3-7-19(17)27(21)31)26-18-6-2-4-8-20(18)28(32)22-12-10-16(30)14-24(22)26/h1-14H,C28H14Br2O2,,,,,,RDWYKRDNFXGTBO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.196,251-932-1,34316-64-8,Hexyl laurate,hexyl laurate,CCCCCCCCCCCC(=O)OCCCCCC,CCCCCCCCCCCC(=O)OCCCCCC,"InChI=1/C18H36O2/c1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h3-17H2,1-2H3",C18H36O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13233,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.196,CMBYOWLFQAFZCP-UHFFFAOYSA-N,,,,,,,,,,,
100.047.200,251-936-3,34322-06-0,S-isopropyl 3-methylthiobutyrate,S-isopropyl 3-methylbutanethioate,CC(C)CC(=O)SC(C)C,CC(C)CC(=O)SC(C)C,"InChI=1/C8H16OS/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3",C8H16OS,,,,,,KMXYCSRBFGUVHW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.201,251-937-9,34322-08-2,S-sec-butyl 2-methylthiobutyrate,S-sec-butyl 2-methylbutanethioate,CCC(C)SC(=O)C(C)CC,CCC(C)SC(=O)C(C)CC,"InChI=1/C9H18OS/c1-5-7(3)9(10)11-8(4)6-2/h7-8H,5-6H2,1-4H3",C9H18OS,,,,,,KCXURGIGYRBXJE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.202,251-938-4,34322-09-3,sec-butyl 3-methyl-2-butenethioate,S-sec-butyl 3-methylbut-2-enethioate,CCC(C)SC(=O)C=C(C)C,CCC(C)SC(=O)C=C(C)C,"InChI=1/C9H16OS/c1-5-8(4)11-9(10)6-7(2)3/h6,8H,5H2,1-4H3",C9H16OS,,,,,,GGGWOXLORXHXFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.204,251-941-0,34330-02-4,"1,2,3,4-tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid","4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid",OC(=O)c1ccc2NC(=S)NC(=O)c2c1,OC(=O)c1ccc2NC(=S)NC(=O)c2c1,"InChI=1/C9H6N2O3S/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)",C9H6N2O3S,,,,,,JUEVRDXLTGJBSO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.793,277-896-7,74499-59-5,"4,7,7-trimethyl-4-(3-methyl-2-butenyl)bicyclo[4.1.0]heptan-3-one","4,7,7-trimethyl-4-(3-methylbut-2-en-1-yl)bicyclo[4.1.0]heptan-3-one",CC(=CCC1(C)CC2C(CC1=O)C2(C)C)C,CC(=CCC1(C)CC2C(CC1=O)C2(C)C)C,"InChI=1/C15H24O/c1-10(2)6-7-15(5)9-12-11(8-13(15)16)14(12,3)4/h6,11-12H,7-9H2,1-5H3",C15H24O,,,,,,FWQHAOBZTWZRCE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.794,277-897-2,74499-60-8,"1-(1,2,3,4-tetrahydro-4,4-dimethyl-1-naphthyl)propan-1-one","1-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one",CCC(=O)C1CCC(C)(C)c2ccccc12,CCC(=O)C1CCC(C)(C)c2ccccc12,"InChI=1/C15H20O/c1-4-14(16)12-9-10-15(2,3)13-8-6-5-7-11(12)13/h5-8,12H,4,9-10H2,1-3H3",C15H20O,,,,,,GNONYQJSCSRZOC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.797,277-900-7,74503-07-4,Allyl chlorooxoacetate,allyl chloro(oxo)acetate,ClC(=O)C(=O)OCC=C,ClC(=O)C(=O)OCC=C,"InChI=1/C5H5ClO3/c1-2-3-9-5(8)4(6)7/h2H,1,3H2",C5H5ClO3,,,,,,HNOLIWBAJVIBOU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.810,277-914-3,74536-45-1,"Dimethyl 2,3-diacetylsuccinate","dimethyl 2,3-diacetylsuccinate",COC(=O)C(C(C(=O)C)C(=O)OC)C(=O)C,COC(=O)C(C(C(=O)C)C(=O)OC)C(=O)C,"InChI=1/C10H14O6/c1-5(11)7(9(13)15-3)8(6(2)12)10(14)16-4/h7-8H,1-4H3",C10H14O6,,,,,,MFUZXFWVYOMQBM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.812,277-916-4,74543-21-8,"Sodium hydrogen 4-aminoazobenzene-3,4'-disulphonate",sodium hydrogen 2-amino-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate,[Na+].Nc1ccc(cc1S(=O)(=O)[O-])N=Nc2ccc(cc2)S(=O)(=O)[O-],[Na+].Nc1ccc(cc1S(=O)(=O)[O-])N=Nc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C12H11N3O6S2.Na/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18;/h1-7H,13H2,(H,16,17,18)(H,19,20,21);/q;+1/p-2",C12H11N3O6S2.Na,,,,,,YXKNHTSZQIOQDP-UHFFFAOYSA-L,,,,,,,,,,,
100.070.814,277-919-0,74549-14-7,"4,4-dimethoxy-3-methyl-2-butenyl acetate","4,4-dimethoxy-3-methylbut-2-en-1-yl acetate",COC(OC)C(C)=CCOC(C)=O,COC(OC)C(C)=CCOC(C)=O,"InChI=1/C9H16O4/c1-7(9(11-3)12-4)5-6-13-8(2)10/h5,9H,6H2,1-4H3",C9H16O4,,,,,,OHFDXHXDNYMPBW-UHFFFAOYSA-N,,,,,,,,,,,
100.050.870,255-976-2,42866-91-1,"p-(2,2-dimethoxyethyl)toluene","1-(2,2-dimethoxyethyl)-4-methylbenzene",COC(Cc1ccc(C)cc1)OC,COC(Cc1ccc(C)cc1)OC,"InChI=1/C11H16O2/c1-9-4-6-10(7-5-9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3",C11H16O2,,,,,,BQTOTVBOOGPLPR-UHFFFAOYSA-N,,,,,,,,,,,
100.050.872,255-978-3,42867-40-3,"3,3-dimethyl-2-oxobutyronitrile","3,3-dimethyl-2-oxobutanenitrile",CC(C)(C)C(=O)C#N,CC(C)(C)C(=O)C#N,"InChI=1/C6H9NO/c1-6(2,3)5(8)4-7/h1-3H3",C6H9NO,,,,,,NPBLQPWAISGYEU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.378,257-634-8,52067-90-0,(R)-4-hydroxyphenylglycine hydrochloride,N-(4-hydroxyphenyl)glycine hydrochloride,Cl.OC(=O)CNc1ccc(O)cc1,Cl.OC(=O)CNc1ccc(O)cc1,"InChI=1/C8H9NO3.ClH/c10-7-3-1-6(2-4-7)9-5-8(11)12;/h1-4,9-10H,5H2,(H,11,12);1H",C8H9NO3.ClH,,,,,,ALCYPYQGMTVEKV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.380,257-636-9,52068-30-1,[4-(benzyloxy)phenyl]hydrazine monohydrochloride,[4-(benzyloxy)phenyl]hydrazine hydrochloride,Cl.NNc1ccc(OCc2ccccc2)cc1,Cl.NNc1ccc(OCc2ccccc2)cc1,"InChI=1/C13H14N2O.ClH/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11;/h1-9,15H,10,14H2;1H",C13H14N2O.ClH,,,,,,OVNUPJXMCMTQCN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.283,282-837-3,84434-39-9,"3-(phenylazo)toluene-2,6-diamine monohydrochloride","2-methyl-4-(phenyldiazenyl)benzene-1,3-diamine hydrochloride",Cl.Nc2ccc(N=Nc1ccccc1)c(N)c2C,Cl.Nc2ccc(N=Nc1ccccc1)c(N)c2C,"InChI=1/C13H14N4.ClH/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10;/h2-8H,14-15H2,1H3;1H",C13H14N4.ClH,,,,,,PPUNNUBHWAOOHS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.284,282-838-9,84434-40-2,"3-(o-tolylazo)toluene-2,6-diamine monohydrochloride","2-methyl-4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine hydrochloride",Cl.Cc2ccccc2N=Nc1ccc(N)c(C)c1N,Cl.Cc2ccccc2N=Nc1ccc(N)c(C)c1N,"InChI=1/C14H16N4.ClH/c1-9-5-3-4-6-12(9)17-18-13-8-7-11(15)10(2)14(13)16;/h3-8H,15-16H2,1-2H3;1H",C14H16N4.ClH,,,,,,SITGMAABRQQNIR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.288,282-843-6,84434-44-6,"5-(o-tolylazo)toluene-2,4-diamine monoacetate","4-methyl-6-[(2-methylphenyl)diazenyl]benzene-1,3-diamine acetate",CC(O)=O.Cc2ccccc2N=Nc1cc(C)c(N)cc1N,CC(O)=O.Cc2ccccc2N=Nc1cc(C)c(N)cc1N,"InChI=1/C14H16N4.C2H4O2/c1-9-5-3-4-6-13(9)17-18-14-7-10(2)11(15)8-12(14)16;1-2(3)4/h3-8H,15-16H2,1-2H3;1H3,(H,3,4)",C14H16N4.C2H4O2,,,,,,ABIKPSFYFGELKX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.266,285-023-6,85005-92-1,Methyl 2-(2-ethyl-1-oxobutoxy)benzoate,methyl 2-[(2-ethylbutanoyl)oxy]benzoate,CCC(CC)C(=O)Oc1ccccc1C(=O)OC,CCC(CC)C(=O)Oc1ccccc1C(=O)OC,"InChI=1/C14H18O4/c1-4-10(5-2)13(15)18-12-9-7-6-8-11(12)14(16)17-3/h6-10H,4-5H2,1-3H3",C14H18O4,,,,,,QXNXIPALJCPMNY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.295,285-055-0,85006-25-3,"tert-butyl [[(1,1-dimethylethoxy)carbonyl]oxy]carbamate",tert-butyl [(tert-butoxycarbonyl)oxy]carbamate,CC(C)(C)OC(=O)NOC(=O)OC(C)(C)C,CC(C)(C)OC(=O)NOC(=O)OC(C)(C)C,"InChI=1/C10H19NO5/c1-9(2,3)14-7(12)11-16-8(13)15-10(4,5)6/h1-6H3,(H,11,12)",C10H19NO5,,,,,,AGOSGCWATIJZHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.298,285-058-7,85006-29-7,"1-(diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-yl)amino]propan-2-ol monohydrochloride","1-(diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-yl)amino]propan-2-ol hydrochloride",Cl.CCN(CC)CC(O)CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-],Cl.CCN(CC)CC(O)CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-],"InChI=1/C22H28N4O5.ClH/c1-5-25(6-2)13-15(27)12-23-22-16-8-7-14(26(28)29)9-18(16)24-19-11-21(31-4)20(30-3)10-17(19)22;/h7-11,15,27H,5-6,12-13H2,1-4H3,(H,23,24);1H",C22H28N4O5.ClH,,,,,,YDEWUVKTIHHCKK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.417,280-781-4,83783-48-6,4-(isopropylamino)piperidine-4-carboxamide,4-(isopropylamino)piperidine-4-carboxamide,CC(C)NC1(CCNCC1)C(=O)N,CC(C)NC1(CCNCC1)C(=O)N,"InChI=1/C9H19N3O/c1-7(2)12-9(8(10)13)3-5-11-6-4-9/h7,11-12H,3-6H2,1-2H3,(H2,10,13)",C9H19N3O,,,,,,NXDRIGBDGHDLNG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.421,280-786-1,83783-52-2,"1-(3-bromopropyl)-5-fluoro-1,3-dihydro-2H-benzimidazol-2-one","1-(3-bromopropyl)-5-fluoro-1,3-dihydro-2H-benzimidazol-2-one",Fc1ccc2N(CCCBr)C(=O)Nc2c1,Fc1ccc2N(CCCBr)C(=O)Nc2c1,"InChI=1/C10H10BrFN2O/c11-4-1-5-14-9-3-2-7(12)6-8(9)13-10(14)15/h2-3,6H,1,4-5H2,(H,13,15)",C10H10BrFN2O,,,,,,RQBIIDJHFXVJLU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.425,280-790-3,83783-56-6,"2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium iodide","2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium iodide",[I-].Clc4cc5N(CC)/C(=C\\C=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC)c5cc4Cl,[I-].Clc4cc5N(CC)/C(=C\C=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC)c5cc4Cl,"InChI=1/C29H28Cl2N3O.HI/c1-4-32-24-18-22(30)23(31)19-25(24)33(5-2)28(32)13-10-14-29-34(6-3)26-17-21(15-16-27(26)35-29)20-11-8-7-9-12-20;/h7-19H,4-6H2,1-3H3;1H/q+1;/p-1",C29H28Cl2N3O.I,,,,,,XYPRXZRUKJGQTI-UHFFFAOYSA-M,,,,,,,,,,,
100.073.426,280-791-9,83783-57-7,"3-ethyl-2-[3-[1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-5-phenylbenzoxazolium","4-{3-ethyl-2-[3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-6-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-1-yl}butane-2-sulfonate",FC(F)(F)c4ccc5N(CC)C(=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CCC(C)S([O-])(=O)=O)c5c4,FC(F)(F)c4ccc5N(CC)C(=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CCC(C)S([O-])(=O)=O)c5c4,"InChI=1/C32H32F3N3O4S/c1-4-36-26-16-15-25(32(33,34)35)21-27(26)38(19-18-22(3)43(39,40)41)30(36)12-9-13-31-37(5-2)28-20-24(14-17-29(28)42-31)23-10-7-6-8-11-23/h6-17,20-22H,4-5,18-19H2,1-3H3",C32H32F3N3O4S,,,,,,QZPYAODVJORLHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.427,280-792-4,83783-58-8,"2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium","3-{5-chloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-6-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-1-yl}propane-1-sulfonate",FC(F)(F)c1cc4c(cc1Cl)N(CC)C(=CC=Cc3oc2ccccc2[n+]3CC)N4CCCS([O-])(=O)=O,FC(F)(F)c1cc4c(cc1Cl)N(CC)C(=CC=Cc3oc2ccccc2[n+]3CC)N4CCCS([O-])(=O)=O,"InChI=1/C25H25ClF3N3O4S/c1-3-30-21-16-18(26)17(25(27,28)29)15-20(21)32(13-8-14-37(33,34)35)23(30)11-7-12-24-31(4-2)19-9-5-6-10-22(19)36-24/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3",C25H25ClF3N3O4S,,,,,,UVFPQNBGWCRWKE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.436,280-802-7,83783-68-0,[4-[(4-chlorophenyl)cyanomethyl]phenyl]ammonium chloride,4-[(4-chlorophenyl)(cyano)methyl]anilinium chloride,[Cl-].[NH3+]c1ccc(cc1)C(C#N)c2ccc(Cl)cc2,[Cl-].[NH3+]c1ccc(cc1)C(C#N)c2ccc(Cl)cc2,"InChI=1/C14H11ClN2.ClH/c15-12-5-1-10(2-6-12)14(9-16)11-3-7-13(17)8-4-11;/h1-8,14H,17H2;1H",C14H11ClN2.ClH,,,,,,WPLNHSSRSJORCL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.667,281-058-6,83846-79-1,"5-fluoro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one","5-fluoro-1-(3-hydroxypropyl)-1,3-dihydro-2H-benzimidazol-2-one",OCCCN1C(=O)Nc2cc(F)ccc12,OCCCN1C(=O)Nc2cc(F)ccc12,"InChI=1/C10H11FN2O2/c11-7-2-3-9-8(6-7)12-10(15)13(9)4-1-5-14/h2-3,6,14H,1,4-5H2,(H,12,15)",C10H11FN2O2,,,,,,IVGODYPSWUHEOM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.669,281-060-7,83846-81-5,"N,N-bis(2-hydroxypropyl)-p-toluenesulphonamide","N,N-bis(2-hydroxypropyl)-4-methylbenzenesulfonamide",CC(O)CN(CC(C)O)S(=O)(=O)c1ccc(C)cc1,CC(O)CN(CC(C)O)S(=O)(=O)c1ccc(C)cc1,"InChI=1/C13H21NO4S/c1-10-4-6-13(7-5-10)19(17,18)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3",C13H21NO4S,,,,,,BQXVKQIHSJDIIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.672,281-063-3,83846-84-8,Methyl 3-carboxy-1-methyl-1H-pyrrole-2-acetate,2-(2-methoxy-2-oxoethyl)-1-methyl-1H-pyrrole-3-carboxylic acid,COC(=O)Cc1c(ccn1C)C(=O)O,COC(=O)Cc1c(ccn1C)C(=O)O,"InChI=1/C9H11NO4/c1-10-4-3-6(9(12)13)7(10)5-8(11)14-2/h3-4H,5H2,1-2H3,(H,12,13)",C9H11NO4,,,,,,BMNWMCNTXMXNRT-UHFFFAOYSA-N,,,,,,,,,,,
100.073.674,281-065-4,83846-86-0,4-isopropyl-9H-thioxanthen-9-one,4-isopropyl-9H-thioxanthen-9-one,CC(C)c1cccc2C(=O)c3ccccc3Sc12,CC(C)c1cccc2C(=O)c3ccccc3Sc12,"InChI=1/C16H14OS/c1-10(2)11-7-5-8-13-15(17)12-6-3-4-9-14(12)18-16(11)13/h3-10H,1-2H3",C16H14OS,,,,,,IKVYHNPVKUNCJM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.690,281-083-2,83848-51-5,Sodium 2-methylquinoline-6-sulphonate,sodium 2-methylquinoline-6-sulfonate,[Na+].Cc1ccc2cc(ccc2n1)S(=O)(=O)[O-],[Na+].Cc1ccc2cc(ccc2n1)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.Na/c1-7-2-3-8-6-9(15(12,13)14)4-5-10(8)11-7;/h2-6H,1H3,(H,12,13,14);/q;+1/p-1",C10H9NO3S.Na,,,,,,QYPOYQXFHWKABL-UHFFFAOYSA-M,,,,,,,,,,,
100.075.539,283-119-2,84540-27-2,"3-[[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino]propiononitrile","3-{[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino}propanenitrile",CC1(C)CC(N)CC(C)(CNCCC#N)C1,CC1(C)CC(N)CC(C)(CNCCC#N)C1,"InChI=1/C13H25N3/c1-12(2)7-11(15)8-13(3,9-12)10-16-6-4-5-14/h11,16H,4,6-10,15H2,1-3H3",C13H25N3,,,,,,DLHUIIYBGMZVLE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.541,283-121-3,84540-29-4,"3-(2-dodecenyl)-1-(2,2,6,6-tetramethyl-4-piperidyl)pyrrolidine-2,5-dione","3-dodec-2-en-1-yl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione",CC1(C)CC(CC(C)(C)N1)N2C(=O)CC(CC=CCCCCCCCCC)C2=O,CC1(C)CC(CC(C)(C)N1)N2C(=O)CC(CC=CCCCCCCCCC)C2=O,"InChI=1/C25H44N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21/h14-15,20-21,26H,6-13,16-19H2,1-5H3",C25H44N2O2,,,,,,IXWQHLNBGUINAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.546,283-127-6,84540-34-1,trans-1-(4-butylcyclohexyl)-4-ethoxybenzene,1-(4-butylcyclohexyl)-4-ethoxybenzene,CCCCC1CCC(CC1)c2ccc(OCC)cc2,CCCCC1CCC(CC1)c2ccc(OCC)cc2,"InChI=1/C18H28O/c1-3-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-4-2/h11-16H,3-10H2,1-2H3",C18H28O,,,,,,MMWGNKDKZYGDKH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.553,283-134-4,84540-41-0,Vinyl 6-chlorotoluene-3-sulphonate,vinyl 4-chloro-3-methylbenzenesulfonate,Cc1cc(ccc1Cl)S(=O)(=O)OC=C,Cc1cc(ccc1Cl)S(=O)(=O)OC=C,"InChI=1/C9H9ClO3S/c1-3-13-14(11,12)8-4-5-9(10)7(2)6-8/h3-6H,1H2,2H3",C9H9ClO3S,,,,,,OKHXKDPGLQZKKE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.559,283-141-2,84540-47-6,"6-hydroxy-3,4-dimethyl-2-pyridone","6-hydroxy-3,4-dimethylpyridin-2(1H)-one",CC1=C(C)C(=O)NC(=C1)O,CC1=C(C)C(=O)NC(=C1)O,"InChI=1/C7H9NO2/c1-4-3-6(9)8-7(10)5(4)2/h3H,1-2H3,(H2,8,9,10)",C7H9NO2,,,,,,KIEGFAYDOKCBOK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.561,283-143-3,84540-49-8,1-[bis(2-hydroxyethyl)amino]-1-deoxy-D-glucitol,1-[bis(2-hydroxyethyl)amino]-1-deoxy-D-glucitol,OCCN(CCO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,OCCN(CCO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C10H23NO7/c12-3-1-11(2-4-13)5-7(15)9(17)10(18)8(16)6-14/h7-10,12-18H,1-6H2",C10H23NO7,,,,,,UURSKAGLHMBPNT-SGIHWFKDSA-N,,,,,,,,,,,
100.075.562,283-144-9,84540-50-1,3-amino-2-chlor-6-methylphenol,3-amino-2-chloro-6-methylphenol,Cc1ccc(N)c(Cl)c1O,Cc1ccc(N)c(Cl)c1O,"InChI=1/C7H8ClNO/c1-4-2-3-5(9)6(8)7(4)10/h2-3,10H,9H2,1H3",C7H8ClNO,,,,,,XYRDGCCCBJITBH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.563,283-145-4,84540-51-2,"2,4-dichlor-3-[(isopropylidene)amino]phenol","2,4-dichloro-3-(isopropylideneamino)phenol",CC(=Nc1c(Cl)ccc(O)c1Cl)C,CC(=Nc1c(Cl)ccc(O)c1Cl)C,"InChI=1/C9H9Cl2NO/c1-5(2)12-9-6(10)3-4-7(13)8(9)11/h3-4,13H,1-2H3",C9H9Cl2NO,,,,,,JJMJCJRISFLLDK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.571,283-154-3,84540-59-0,4-(chloromethyl)-2-nitrotoluene,4-(chloromethyl)-1-methyl-2-nitrobenzene,Cc1ccc(CCl)cc1[N+](=O)[O-],Cc1ccc(CCl)cc1[N+](=O)[O-],"InChI=1/C8H8ClNO2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,5H2,1H3",C8H8ClNO2,,,,,,DLTKEOYTIZIUKD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.573,283-156-4,84540-62-5,"Methyl 2-[(2,2-dimethyl-1-oxopropyl)amino]benzoate","methyl 2-[(2,2-dimethylpropanoyl)amino]benzoate",COC(=O)c1ccccc1NC(=O)C(C)(C)C,COC(=O)c1ccccc1NC(=O)C(C)(C)C,"InChI=1/C13H17NO3/c1-13(2,3)12(16)14-10-8-6-5-7-9(10)11(15)17-4/h5-8H,1-4H3,(H,14,16)",C13H17NO3,,,,,,TWDCYCSGTBPHFH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.462,283-034-0,84522-38-3,"Morpholinium 2,2,4-trimethylvalerate","morpholin-4-ium 2,2,4-trimethylpentanoate",CC(C)CC(C)(C)C(=O)[O-].C1COCC[NH2+]1,CC(C)CC(C)(C)C(=O)[O-].C1COCC[NH2+]1,"InChI=1/C8H16O2.C4H9NO/c1-6(2)5-8(3,4)7(9)10;1-3-6-4-2-5-1/h6H,5H2,1-4H3,(H,9,10);5H,1-4H2",C8H16O2.C4H9NO,,,,,,MMZBJSZPKJQODH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.610,284-301-4,84837-25-2,"Tributyl[(2,3-dibromo-2-methylpropionyl)oxy]stannane","tributyl[(2,3-dibromo-2-methylpropanoyl)oxy]stannane",CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)(Br)CBr,CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)(Br)CBr,"InChI=1/C4H6Br2O2.3C4H9.Sn/c1-4(6,2-5)3(7)8;3*1-3-4-2;/h2H2,1H3,(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC16H32Br2O2Sn/c1-5-8-11-21(12-9-6-2,13-10-7-3)20-15(19)16(4,18)14-17/h5-14H2,1-4H3",C16H32Br2O2Sn,,,,,,WLXCSAZOCVANKN-UHFFFAOYSA-M,,,,,,,,,,,
100.076.611,284-303-5,84843-36-7,"Phosphoric acid, octyl ester, sodium salt",sodium octyl hydrogen phosphate,[Na+].CCCCCCCCOP(=O)(O)[O-],[Na+].CCCCCCCCOP(=O)(O)[O-],"InChI=1/C8H19O4P.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H2,9,10,11);/q;+1/p-1",-,,,,,,KOJSOGZMZDBNPG-UHFFFAOYSA-M,,,,,,,,,,,
100.072.130,279-367-6,80019-25-6,"3-[(4-methoxy-2-nitrophenyl)azo]-2-methylpyrazolo[5,1-b]quinazolin-9(1H)-one","3-[(4-methoxy-2-nitrophenyl)diazenyl]-2-methylpyrazolo[5,1-b]quinazolin-9(1H)-one",[O-][N+](=O)c4cc(OC)ccc4N=N\\C\\1=C(/C)NN2C(=O)c3ccccc3\\N=C/12,[O-][N+](=O)c4cc(OC)ccc4N=N\C\1=C(/C)NN2C(=O)c3ccccc3\N=C/12,"InChI=1/C18H14N6O4/c1-10-16(21-20-14-8-7-11(28-2)9-15(14)24(26)27)17-19-13-6-4-3-5-12(13)18(25)23(17)22-10/h3-9,22H,1-2H3",C18H14N6O4,,,,,,DBNSLNBUASUXNH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.133,279-370-2,80028-67-7,5-amino-2-oxovaleric acid hydrochloride,5-amino-2-oxopentanoic acid hydrochloride,Cl.NCCCC(=O)C(=O)O,Cl.NCCCC(=O)C(=O)O,"InChI=1/C5H9NO3.ClH/c6-3-1-2-4(7)5(8)9;/h1-3,6H2,(H,8,9);1H",C5H9NO3.ClH,,,,,,RWBGDXQNRIAGLL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.018,281-446-5,83949-89-7,"6,6'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)diimino]bis[10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione]","6,6'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)diimino]bis(10-bromonaphtho[2,3-c]acridine-5,8,14(13H)-trione)",Brc1ccc2Nc3c(cc(Nc4nc(Nc5cc6C(=O)c7cc(Br)ccc7Nc6c8C(=O)c9ccccc9C(=O)c58)nc(Oc%10ccccc%10)n4)c%11C(=O)c%12ccccc%12C(=O)c3%11)C(=O)c2c1,Brc1ccc2Nc3c(cc(Nc4nc(Nc5cc6C(=O)c7cc(Br)ccc7Nc6c8C(=O)c9ccccc9C(=O)c58)nc(Oc%10ccccc%10)n4)c%11C(=O)c%12ccccc%12C(=O)c3%11)C(=O)c2c1,"InChI=1/C51H25Br2N7O7/c52-22-14-16-33-29(18-22)43(61)31-20-35(37-39(41(31)54-33)47(65)27-12-6-4-10-25(27)45(37)63)56-49-58-50(60-51(59-49)67-24-8-2-1-3-9-24)57-36-21-32-42(55-34-17-15-23(53)19-30(34)44(32)62)40-38(36)46(64)26-11-5-7-13-28(26)48(40)66/h1-21H,(H,54,61)(H,55,62)(H2,56,57,58,59,60)",C51H25Br2N7O7,,,,,,GMYTUKGSNJRTBC-UHFFFAOYSA-N,,,,,,,,,,,
100.074.024,281-452-8,83949-95-5,"2-hydroxy-1,3,3-trimethylindoline-2-carbaldehyde methyl[4-(phenylazo)phenyl]hydrazone","1,3,3-trimethyl-2-{methyl[4-(phenyldiazenyl)phenyl]carbonohydrazonoyl}indolin-2-ol",CC4(C)c1ccccc1N(C)C4(O)C=NN(C)c3ccc(N=Nc2ccccc2)cc3,CC4(C)c1ccccc1N(C)C4(O)C=NN(C)c3ccc(N=Nc2ccccc2)cc3,"InChI=1/C25H27N5O/c1-24(2)22-12-8-9-13-23(22)29(3)25(24,31)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19/h5-18,31H,1-4H3",C25H27N5O,,,,,,PIVIPXDVOAMQBP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.025,281-453-3,83949-96-6,"1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium sulphate (2:1)","bis(1,3,3-trimethyl-2-{methyl[4-(phenyldiazenyl)phenyl]carbonohydrazonoyl}-3H-indolium) sulfate",[O-]S([O-])(=O)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,[O-]S([O-])(=O)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,"InChI=1/2C25H26N5.H2O4S/c2*1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-5(2,3)4/h2*5-18H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C25H26N5.1/2O4S,,,,,,KIBRYMYEWOUADF-UHFFFAOYSA-L,,,,,,,,,,,
100.074.026,281-454-9,83949-97-7,"1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium hydrogen sulphate","1,3,3-trimethyl-2-{methyl[4-(phenyldiazenyl)phenyl]carbonohydrazonoyl}-3H-indolium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,[H+].[O-]S([O-])(=O)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,"InChI=1/C25H26N5.H2O4S.H2/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-5(2,3)4;/h5-18H,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C25H26N5.HO4S,,,,,,DYQYCULVACSUHD-UHFFFAOYSA-M,,,,,,,,,,,
100.074.045,281-475-3,83950-24-7,"4-[2-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolyl)vinyl]-1-(2-hydroxyethyl)pyridinium acetate","4-[2-(1-ethyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl)vinyl]-1-(2-hydroxyethyl)pyridinium acetate",CCN1c2ccc(\\C=C\\c3cc[n+](CCO)cc3)cc2C(C)CC1(C)C.CC(=O)[O-],CCN1c2ccc(\C=C\c3cc[n+](CCO)cc3)cc2C(C)CC1(C)C.CC(=O)[O-],"InChI=1/C23H31N2O.C2H4O2/c1-5-25-22-9-8-20(16-21(22)18(2)17-23(25,3)4)7-6-19-10-12-24(13-11-19)14-15-26;1-2(3)4/h6-13,16,18,26H,5,14-15,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C23H31N2O.C2H3O2,,,,,,KPVCSFKBYADAEE-UHFFFAOYSA-M,,,,,,,,,,,
100.073.394,280-756-8,83763-68-2,N-[3-(dimethylamino)propyl]palmitamide monoacetate,N-[3-(dimethylamino)propyl]hexadecanamide acetate,CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O,"InChI=1/C21H44N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3;1-2(3)4/h4-20H2,1-3H3,(H,22,24);1H3,(H,3,4)",C21H44N2O.C2H4O2,,,,,,YGPACWNYFWZAQU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.384,257-641-6,52075-14-6,"4S,5S-(-)-4-methoxymethyl-2-methyl-5-phenyl-d-2-oxazoline","4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole",COCC1N=C(C)OC1c2ccccc2,COCC1N=C(C)OC1c2ccccc2,"InChI=1/C12H15NO2/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3",C12H15NO2,,,,,,AKFIXTAIQHJWAU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.385,257-642-1,52078-66-7,"3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]-5,6-dimethylbenzoxazolium iodide","3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-5,6-dimethyl-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4cc(C)c(C)cc4oc3C=CC=C2Oc1cc(C)c(C)cc1N2CC,[I-].CC[n+]3c4cc(C)c(C)cc4oc3C=CC=C2Oc1cc(C)c(C)cc1N2CC,"InChI=1/C25H29N2O2.HI/c1-7-26-20-12-16(3)18(5)14-22(20)28-24(26)10-9-11-25-27(8-2)21-13-17(4)19(6)15-23(21)29-25;/h9-15H,7-8H2,1-6H3;1H/q+1;/p-1",C25H29N2O2.I,,,,,,XFGPBUWHEYUAMX-UHFFFAOYSA-M,,,,,,,,,,,
100.052.387,257-644-2,52080-57-6,Chloroprednisone,"6-chloro-17,21-dihydroxypregna-1,4-diene-3,11,20-trione",C[C@]12CC(=O)[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,C[C@]12CC(=O)[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15,18,23,27H,4,6,8-10H2,1-2H3",C21H25ClO5,,,,,,NPSLCOWKFFNQKK-ZPSUVKRCSA-N,,,,,,,,,,,
100.052.393,257-651-0,52085-24-2,"3-aminonaphthalene-1,5-disulphonic acid, sodium salt","disodium 3-aminonaphthalene-1,5-disulfonate",Nc1cc(c2cccc(c2c1)S(=O)(=O)O[Na])S(=O)(=O)O[Na],Nc1cc(c2cccc(c2c1)S(=O)(=O)O[Na])S(=O)(=O)O[Na],"InChI=1/C10H9NO6S2.2Na/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2/rC10H7NNa2O6S2/c11-6-4-8-7(10(5-6)21(16,17)19-13)2-1-3-9(8)20(14,15)18-12/h1-5H,11H2",C10H9NO6S2.xNa,,,,,,UZUODNWWWUQRIR-UHFFFAOYSA-L,,,,,,,,,,,
100.052.394,257-652-6,52085-52-6,N-(2-chloroethyl)-4-[(2-chloro-4-nitrophenyl)azo]-N-methylaniline,N-(2-chloroethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylaniline,Clc2cc(ccc2N=Nc1ccc(cc1)N(C)CCCl)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(C)CCCl)[N+]([O-])=O,"InChI=1/C15H14Cl2N4O2/c1-20(9-8-16)12-4-2-11(3-5-12)18-19-15-7-6-13(21(22)23)10-14(15)17/h2-7,10H,8-9H2,1H3",C15H14Cl2N4O2,,,,,,MDNMLKKHFHYRGF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.001,278-124-1,75203-51-9,"Bis[2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl] oxalate","bis{2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl} oxalate",CCCCCOC(=O)c1c(Cl)cc(Cl)c(Cl)c1OC(=O)C(=O)Oc2c(Cl)c(Cl)cc(Cl)c2C(=O)OCCCCC,CCCCCOC(=O)c1c(Cl)cc(Cl)c(Cl)c1OC(=O)C(=O)Oc2c(Cl)c(Cl)cc(Cl)c2C(=O)OCCCCC,"InChI=1/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-13(27)11-15(29)19(31)21(17)39-25(35)26(36)40-22-18(14(28)12-16(30)20(22)32)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3",C26H24Cl6O8,,,,,,PURKHUDOTFUVNG-UHFFFAOYSA-N,,,,,,,,,,,
100.047.212,251-949-4,34346-37-7,"N,N,N',N',N''-pentakis(methoxymethyl)-N''-[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine","N~2~,N~2~,N~4~,N~4~,N~6~-pentakis(methoxymethyl)-N~6~-[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine",CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC,CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC,"InChI=1/C32H64N6O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44-29-38(28-43-6)32-34-30(36(24-39-2)25-40-3)33-31(35-32)37(26-41-4)27-42-5/h7-29H2,1-6H3",C32H64N6O6,,,,,,RQQMIZDGUOQXIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.213,251-951-5,34348-46-4,(2-hydroxytrimethylene)bis[(3-chloro-2-hydroxypropyl)dimethylammonium] dichloride,"N,N'-bis(3-chloro-2-hydroxypropyl)-2-hydroxy-N,N,N',N'-tetramethylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(CC(O)CCl)CC(O)C[N+](C)(C)CC(O)CCl,[Cl-].[Cl-].C[N+](C)(CC(O)CCl)CC(O)C[N+](C)(C)CC(O)CCl,"InChI=1/C13H30Cl2N2O3.2ClH/c1-16(2,7-11(18)5-14)9-13(20)10-17(3,4)8-12(19)6-15;;/h11-13,18-20H,5-10H2,1-4H3;2*1H/q+2;;/p-2",C13H30Cl2N2O3.2Cl,,,,,,GCBHIWKOWOZKPT-UHFFFAOYSA-L,,,,,,,,,,,
100.047.214,251-952-0,34349-21-8,"2-methoxyethyl (Z,Z)-11,11-dibutyl-6,9,13-trioxo-2,5,10,12-tetraoxa-11-stannahexadeca-7,14-dien-16-oate","2-methoxyethyl 11,11-dibutyl-6,9,13-trioxo-2,5,10,12-tetraoxa-11-stannahexadeca-7,14-dien-16-oate",CCCC[Sn](CCCC)(OC(=O)\\C=C/C(=O)OCCOC)OC(=O)\\C=C/C(=O)OCCOC,CCCC[Sn](CCCC)(OC(=O)\C=C/C(=O)OCCOC)OC(=O)\C=C/C(=O)OCCOC,"InChI=1/2C7H10O5.2C4H9.Sn/c2*1-11-4-5-12-7(10)3-2-6(8)9;2*1-3-4-2;/h2*2-3H,4-5H2,1H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H36O10Sn/c1-5-7-17-33(18-8-6-2,31-21(25)11-9-19(23)29-15-13-27-3)32-22(26)12-10-20(24)30-16-14-28-4/h9-12H,5-8,13-18H2,1-4H3",C22H36O10Sn,,,,,,QJLJZLJTGWMKGT-UDVCPWNYSA-L,,,,,,,,,,,
100.047.222,251-960-4,34362-37-3,"1,2-dimethyl-3-phenylpropyl acetate","1,2-dimethyl-3-phenylpropyl acetate",CC(Cc1ccccc1)C(C)OC(=O)C,CC(Cc1ccccc1)C(C)OC(=O)C,"InChI=1/C13H18O2/c1-10(11(2)15-12(3)14)9-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3",C13H18O2,,,,,,XAFAINACZOLWGU-UHFFFAOYSA-N,,,,,,,,,,,
100.047.229,251-968-8,34367-95-8,1-methyl-2-phenyl-3-(thiazol-2-ylazo)-1H-indole,"1-methyl-2-phenyl-3-(1,3-thiazol-2-yldiazenyl)-1H-indole",Cn3c(c(N=Nc1nccs1)c2ccccc23)c4ccccc4,Cn3c(c(N=Nc1nccs1)c2ccccc23)c4ccccc4,"InChI=1/C18H14N4S/c1-22-15-10-6-5-9-14(15)16(20-21-18-19-11-12-23-18)17(22)13-7-3-2-4-8-13/h2-12H,1H3",C18H14N4S,,,,,,RWSPUNNNJRHPOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.443,280-810-0,83783-75-9,4-(4-phenylbutyl)piperidin-4-ol,4-(4-phenylbutyl)piperidin-4-ol,OC1(CCCCc2ccccc2)CCNCC1,OC1(CCCCc2ccccc2)CCNCC1,"InChI=1/C15H23NO/c17-15(10-12-16-13-11-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,16-17H,4-5,8-13H2",C15H23NO,,,,,,QCBYJMVCSOPSMU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.446,280-813-7,83783-79-3,Nonyl 2-methylisocrotonate,nonyl 2-methylbut-2-enoate,CCCCCCCCCOC(=O)\\C(=C/C)\\C,CCCCCCCCCOC(=O)\C(=C/C)\C,"InChI=1/C14H26O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5H,4,6-12H2,1-3H3",C14H26O2,,,,,,NIOMGUSCYSQFTC-ACAGNQJTSA-N,,,,,,,,,,,
100.073.447,280-814-2,83783-80-6,Decyl 2-methylisocrotonate,decyl 2-methylbut-2-enoate,CCCCCCCCCCOC(=O)\\C(=C/C)\\C,CCCCCCCCCCOC(=O)\C(=C/C)\C,"InChI=1/C15H28O2/c1-4-6-7-8-9-10-11-12-13-17-15(16)14(3)5-2/h5H,4,6-13H2,1-3H3",C15H28O2,,,,,,UCGAWLWEQSSTNO-RZNTYIFUSA-N,,,,,,,,,,,
100.073.448,280-815-8,83783-81-7,2-methylpentyl 2-methylisocrotonate,2-methylpentyl 2-methylbut-2-enoate,CCCC(C)COC(=O)\\C(=C/C)\\C,CCCC(C)COC(=O)\C(=C/C)\C,"InChI=1/C11H20O2/c1-5-7-9(3)8-13-11(12)10(4)6-2/h6,9H,5,7-8H2,1-4H3",C11H20O2,,,,,,SXXTZKDMFMLOCG-POHAHGRESA-N,,,,,,,,,,,
100.073.449,280-816-3,83783-82-8,3-methylbut-2-enyl 2-methylisocrotonate,3-methylbut-2-en-1-yl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OCC=C(C)C,C\C=C(\C)/C(=O)OCC=C(C)C,"InChI=1/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5-6H,7H2,1-4H3",C10H16O2,,,,,,WTDWXMWAIMIKSI-UITAMQMPSA-N,,,,,,,,,,,
100.072.194,279-438-1,80272-38-4,3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-one,3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-one,Fc1ccc(cc1)C2CC(=O)c3cc(ccc23)C(F)(F)F,Fc1ccc(cc1)C2CC(=O)c3cc(ccc23)C(F)(F)F,"InChI=1/C16H10F4O/c17-11-4-1-9(2-5-11)13-8-15(21)14-7-10(16(18,19)20)3-6-12(13)14/h1-7,13H,8H2",C16H10F4O,,,,,,GELXXQVKIVNKCI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.199,279-443-9,80289-32-3,"Phenyl 2,4-dichloro-5-sulphamoylbenzenesulphonate","phenyl 2,4-dichloro-5-sulfamoylbenzenesulfonate",NS(=O)(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)Oc2ccccc2,NS(=O)(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)Oc2ccccc2,"InChI=1/C12H9Cl2NO5S2/c13-9-6-10(14)12(7-11(9)21(15,16)17)22(18,19)20-8-4-2-1-3-5-8/h1-7H,(H2,15,16,17)",C12H9Cl2NO5S2,,,,,,XIJVOPHKEWHUNN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.210,279-455-4,80399-60-6,"Hexahydro-1-(2,4,8,10-tetrakis-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)-1H-azepine","1-(2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)azepane",CC(C)(C)c1cc2c(OP(Oc3c2cc(cc3C(C)(C)C)C(C)(C)C)N4CCCCCC4)c(c1)C(C)(C)C,CC(C)(C)c1cc2c(OP(Oc3c2cc(cc3C(C)(C)C)C(C)(C)C)N4CCCCCC4)c(c1)C(C)(C)C,"InChI=1/C34H52NO2P/c1-31(2,3)23-19-25-26-20-24(32(4,5)6)22-28(34(10,11)12)30(26)37-38(35-17-15-13-14-16-18-35)36-29(25)27(21-23)33(7,8)9/h19-22H,13-18H2,1-12H3",C34H52NO2P,,,,,,HJMZERPHMADHSI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.215,279-461-7,80413-54-3,2-(acryloyloxy)ethyl 6-hydroxyhexanoate,2-(acryloyloxy)ethyl 6-hydroxyhexanoate,OCCCCCC(=O)OCCOC(=O)C=C,OCCCCCC(=O)OCCOC(=O)C=C,"InChI=1/C11H18O5/c1-2-10(13)15-8-9-16-11(14)6-4-3-5-7-12/h2,12H,1,3-9H2",C11H18O5,,,,,,FMZKUQXLZGRENB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.293,282-848-3,84434-49-1,"Dipotassium 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulphonate","dipotassium 4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-6-{[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino}benzene-1,3-disulfonate",[K+].[K+].O=C4/C(=C(/C)\\C(\\N=Nc3cc(Nc2nc(Cl)nc(Oc1ccc(CCCCCCCCC)cc1)n2)c(cc3S([O-])(=O)=O)S([O-])(=O)=O)=C(\\O)N4CC)C(N)=O,[K+].[K+].O=C4/C(=C(/C)\C(\N=Nc3cc(Nc2nc(Cl)nc(Oc1ccc(CCCCCCCCC)cc1)n2)c(cc3S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N4CC)C(N)=O,"InChI=1/C33H39ClN8O10S2.2K/c1-4-6-7-8-9-10-11-12-20-13-15-21(16-14-20)52-33-38-31(34)37-32(39-33)36-22-17-23(25(54(49,50)51)18-24(22)53(46,47)48)40-41-27-19(3)26(28(35)43)29(44)42(5-2)30(27)45;;/h13-18,45H,4-12H2,1-3H3,(H2,35,43)(H,46,47,48)(H,49,50,51)(H,36,37,38,39);;/q;2*+1/p-2",C33H39ClN8O10S2.2K,,,,,,AKODATABYORSTB-UHFFFAOYSA-L,,,,,,,,,,,
100.075.310,282-867-7,84434-66-2,2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(2-hydroxyethyl)benzothiazolium bromide,"2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium bromide",[Br-].OCC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,[Br-].OCC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,"InChI=1/C22H23N2OS2.BrH/c1-3-23-17-8-4-6-10-19(17)26-21(23)14-16(2)15-22-24(12-13-25)18-9-5-7-11-20(18)27-22;/h4-11,14-15,25H,3,12-13H2,1-2H3;1H/q+1;/p-1",C22H23N2OS2.Br,,,,,,HENRQSDRRJLACL-UHFFFAOYSA-M,,,,,,,,,,,
100.075.317,282-875-0,84434-75-3,"Octacosanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","octacosanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C28H56O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;8-4-1-7(2-5-9)3-6-10/h2-27H2,1H3,(H,29,30);8-10H,1-6H2",C28H56O2.C6H15NO3,,,,,,PCWONYSCGQKEHW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.578,283-162-7,84540-67-0,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-valine, compound with cyclohexylamine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-valine - cyclohexanamine (1:1),CC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,CC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,"InChI=1/C17H22N2O4S.C6H13N/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4;7-6-4-2-1-3-5-6/h5-11,16,18H,1-4H3,(H,20,21);6H,1-5,7H2",C17H22N2O4S.C6H13N,,,,,,XAAKQPYBZYQKNA-NTISSMGPSA-N,,,,,,,,,,,
100.071.821,279-027-7,78974-42-2,"3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl dihydrogen phosphate","3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl dihydrogen phosphate",OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C11H6F19O4P/c12-3(13,1-2-34-35(31,32)33)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h1-2H2,(H2,31,32,33)",C11H6F19O4P,,,,,,DEHQJCVMUMYUMH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.822,279-028-2,78980-33-3,"Undecane-1,11-diyl diisocyanate","1,11-diisocyanatoundecane",O=C=NCCCCCCCCCCCN=C=O,O=C=NCCCCCCCCCCCN=C=O,InChI=1/C13H22N2O2/c16-12-14-10-8-6-4-2-1-3-5-7-9-11-15-13-17/h1-11H2,C13H22N2O2,,,,,,IYJMQRLCWBFHJL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.824,279-030-3,78987-76-5,1-(p-fluorophenyl)-N-methylcyclohexylamine,1-(4-fluorophenyl)-N-methylcyclohexanamine,CNC1(CCCCC1)c2ccc(F)cc2,CNC1(CCCCC1)c2ccc(F)cc2,"InChI=1/C13H18FN/c1-15-13(9-3-2-4-10-13)11-5-7-12(14)8-6-11/h5-8,15H,2-4,9-10H2,1H3",C13H18FN,,,,,,UGURUEVWEYBRSY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.831,279-038-7,79026-03-2,2-[2-[4-[2-(3-cyanophenyl)vinyl]phenyl]vinyl]benzonitrile,2-(2-{4-[2-(3-cyanophenyl)vinyl]phenyl}vinyl)benzonitrile,N#Cc1cccc(\\C=C\\c2ccc(\\C=C\\c3ccccc3C#N)cc2)c1,N#Cc1cccc(\C=C\c2ccc(\C=C\c3ccccc3C#N)cc2)c1,InChI=1/C24H16N2/c25-17-22-5-3-4-21(16-22)13-12-19-8-10-20(11-9-19)14-15-23-6-1-2-7-24(23)18-26/h1-16H,C24H16N2,,,,,,JRVKAPLKKVWGKU-SQIWNDBBSA-N,,,,,,,,,,,
100.071.840,279-048-1,79064-86-1,"2-methyl-1,4-dioxacyclohexadecane-5,16-dione","2-methyl-1,4-dioxacyclohexadecane-5,16-dione",CC1COC(=O)CCCCCCCCCCC(=O)O1,CC1COC(=O)CCCCCCCCCCC(=O)O1,"InChI=1/C15H26O4/c1-13-12-18-14(16)10-8-6-4-2-3-5-7-9-11-15(17)19-13/h13H,2-12H2,1H3",C15H26O4,,,,,,RCOKMWAKYZDWAA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.847,279-056-5,79089-13-7,N-hydroxy-sec-butylammonium chloride,2-hydroxybutan-2-aminium chloride,[Cl-].CCC(C)([NH3+])O,[Cl-].CCC(C)([NH3+])O,"InChI=1/C4H11NO.ClH/c1-3-4(2,5)6;/h6H,3,5H2,1-2H3;1H",C4H11NO.ClH,,,,,,IGXPPASNWXDASD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.102,284-843-1,84963-40-6,2-(benzyloxy)-5-[1-hydroxy-2-[(a-methylbenzyl)(1-methyl-3-phenylpropyl)amino]ethyl]benzamide,2-(benzyloxy)-5-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)(1-phenylethyl)amino]ethyl}benzamide,CC(CCc1ccccc1)N(CC(O)c2ccc(OCc3ccccc3)c(c2)C(=O)N)C(C)c4ccccc4,CC(CCc1ccccc1)N(CC(O)c2ccc(OCc3ccccc3)c(c2)C(=O)N)C(C)c4ccccc4,"InChI=1/C34H38N2O3/c1-25(18-19-27-12-6-3-7-13-27)36(26(2)29-16-10-5-11-17-29)23-32(37)30-20-21-33(31(22-30)34(35)38)39-24-28-14-8-4-9-15-28/h3-17,20-22,25-26,32,37H,18-19,23-24H2,1-2H3,(H2,35,38)",C34H38N2O3,,,,,,PVTYWJRBWJGPBU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.103,284-844-7,84963-41-7,"21-hydroxypregn-4-ene-3,11,20-trione 21-pivalate","3,11,20-trioxopregn-4-en-21-yl pivalate",CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C26H36O5/c1-24(2,3)23(30)31-14-21(29)19-9-8-18-17-7-6-15-12-16(27)10-11-25(15,4)22(17)20(28)13-26(18,19)5/h12,17-19,22H,6-11,13-14H2,1-5H3",C26H36O5,,,,,,MFNKUOBOAMIHNU-HEDGWYKQSA-N,,,,,,,,,,,
100.077.105,284-846-8,84963-43-9,[[(2-ethylhexyl)oxy]methyl]dihexylphosphine oxide,{[(2-ethylhexyl)oxy]methyl}(dihexyl)phosphine oxide,CCCCCCP(=O)(CCCCCC)COCC(CC)CCCC,CCCCCCP(=O)(CCCCCC)COCC(CC)CCCC,"InChI=1/C21H45O2P/c1-5-9-12-14-17-24(22,18-15-13-10-6-2)20-23-19-21(8-4)16-11-7-3/h21H,5-20H2,1-4H3",C21H45O2P,,,,,,OMIIFOOFQQHAQN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.110,284-852-0,84988-62-5,"3,6,9,12-Tetraoxahexadecan-1-ol, phosphate","3,6,9,12-tetraoxahexadec-1-yl phosphate",CCCCOCCOCCOCCOCCOP(=O)([O-])[O-],CCCCOCCOCCOCCOCCOP(=O)([O-])[O-],"InChI=1/C12H27O8P/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-21(13,14)15/h2-12H2,1H3,(H2,13,14,15)/p-2",-,,,,,,KYWZAVZYKUXWSZ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.252,279-501-3,80584-88-9,"2,2'-[[(5-methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol","2,2'-{[(5-methyl-1H-benzotriazol-1-yl)methyl]imino}diethanol",Cc1ccc2c(c1)nnn2CN(CCO)CCO,Cc1ccc2c(c1)nnn2CN(CCO)CCO,"InChI=1/C12H18N4O2/c1-10-2-3-12-11(8-10)13-14-16(12)9-15(4-6-17)5-7-18/h2-3,8,17-18H,4-7,9H2,1H3",C12H18N4O2,,,,,,HHYPDQBCLQZKLI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.253,279-502-9,80584-89-0,"2,2'-[[(4-methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol","2,2'-{[(4-methyl-1H-benzotriazol-1-yl)methyl]imino}diethanol",Cc1cccc2c1nnn2CN(CCO)CCO,Cc1cccc2c1nnn2CN(CCO)CCO,"InChI=1/C12H18N4O2/c1-10-3-2-4-11-12(10)13-14-16(11)9-15(5-7-17)6-8-18/h2-4,17-18H,5-9H2,1H3",C12H18N4O2,,,,,,ZUHDIDYOAZNPBV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.710,281-106-6,83863-43-8,1-(4-methoxyphenyl)-4-(p-tolylsulphonyl)piperazine,1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfonyl]piperazine,COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc(C)cc3,COc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc(C)cc3,"InChI=1/C18H22N2O3S/c1-15-3-9-18(10-4-15)24(21,22)20-13-11-19(12-14-20)16-5-7-17(23-2)8-6-16/h3-10H,11-14H2,1-2H3",C18H22N2O3S,,,,,,AFCUSINUINYQAT-UHFFFAOYSA-N,,,,,,,,,,,
100.073.407,280-770-4,83763-82-0,"Tetrasodium 7,7'-(carbonyldiimino)bis[3-[(4-ethoxy-3-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate]",tetrasodium 3-[(4-ethoxy-3-sulfonatophenyl)diazenyl]-7-[({6-[(4-ethoxy-3-sulfonatophenyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}carbamoyl)amino]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].CCOc1ccc(cc1S([O-])(=O)=O)N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2ccc(OCC)c(c2)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].CCOc1ccc(cc1S([O-])(=O)=O)N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2ccc(OCC)c(c2)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,"InChI=1/C37H32N6O17S4.4Na/c1-3-59-27-11-7-23(17-29(27)61(47,48)49)40-42-33-31(63(53,54)55)15-19-13-21(5-9-25(19)35(33)44)38-37(46)39-22-6-10-26-20(14-22)16-32(64(56,57)58)34(36(26)45)43-41-24-8-12-28(60-4-2)30(18-24)62(50,51)52;;;;/h5-18,44-45H,3-4H2,1-2H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4",C37H32N6O17S4.4Na,,,,,,DQSCFJIWFCCVGM-UHFFFAOYSA-J,,,,,,,,,,,
100.072.154,279-393-8,80082-65-1,(2S-trans)-3-amino-2-methyl-4-oxoazetidine-1-sulphonic acid,3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid,C[C@H]1[C@H](N)C(=O)N1S(=O)(=O)O,C[C@H]1[C@H](N)C(=O)N1S(=O)(=O)O,"InChI=1/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)",C4H8N2O4S,,,,,,ISUIVWNWEDIHJD-HRFVKAFMSA-N,,,,,,,,,,,
100.072.160,279-400-4,80118-10-1,"1,3-dimethyl-3-butenyl salicylate","1,3-dimethylbut-3-en-1-yl salicylate",CC(CC(=C)C)OC(=O)c1ccccc1O,CC(CC(=C)C)OC(=O)c1ccccc1O,"InChI=1/C13H16O3/c1-9(2)8-10(3)16-13(15)11-6-4-5-7-12(11)14/h4-7,10,14H,1,8H2,2-3H3",C13H16O3,,,,,,VBOJHXQVOIZGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.161,279-402-5,80137-60-6,Calcium bis(diisopropylnaphthalenesulphonate),"calcium bis(2,3-diisopropylnaphthalene-1-sulfonate)",[Ca+2].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-].CC(C)c3cc4ccccc4c(c3C(C)C)S(=O)(=O)[O-],[Ca+2].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-].CC(C)c3cc4ccccc4c(c3C(C)C)S(=O)(=O)[O-],"InChI=1/2C16H20O3S.Ca/c2*1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h2*5-11H,1-4H3,(H,17,18,19);/q;;+2/p-2",C16H20O3S.1/2Ca,,,,,,ZSAZTRQZIYNZEQ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.166,279-407-2,80156-94-1,"2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-3-[(4-sulfophenyl)azo]-, pentasodium salt",-,[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Nc5cccc(c5)S(=O)(=O)CCOS(O)(=O)=O)n6,[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Nc5cccc(c5)S(=O)(=O)CCOS(O)(=O)=O)n6,"InChI=1/C33H27ClN10O19S6.5Na/c34-31-38-32(36-18-2-1-3-21(14-18)64(46,47)11-10-63-69(60,61)62)40-33(39-31)37-19-6-9-23(66(51,52)53)22(15-19)42-44-29-25(68(57,58)59)13-16-12-24(67(54,55)56)28(27(35)26(16)30(29)45)43-41-17-4-7-20(8-5-17)65(48,49)50;;;;;/h1-9,12-15,45H,10-11,35H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H2,36,37,38,39,40);;;;;/q;5*+1/p-4",C33H27ClN10O19S6.5Na,,,,,,CYHNYXLZHYASKT-UHFFFAOYSA-J,,,,,,,,,,,
100.072.167,279-408-8,80157-00-2,"Tetrasodium 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate","tetrasodium 7-{[2-(carbamoylamino)-4-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Nc4cccc(c4)S(=O)(=O)CCOS([O-])(=O)=O)n5,[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Nc4cccc(c4)S(=O)(=O)CCOS([O-])(=O)=O)n5,"InChI=1/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-2-1-3-17(10-15)55(40,41)7-6-54-59(51,52)53)36-28(35-25)32-16-4-5-20(21(11-16)33-26(30)39)37-38-22-13-19-14(9-24(22)58(48,49)50)8-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-5,8-13H,6-7H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4",C28H24ClN9O16S5.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16418,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.167,UIEBGVDTKLYGTN-UHFFFAOYSA-J,,,,,,,,,,,
100.072.169,279-410-9,80166-56-9,"(2,2-dimethylpropyl) hydrogen succinate","4-(2,2-dimethylpropoxy)-4-oxobutanoic acid",CC(C)(C)COC(=O)CCC(=O)O,CC(C)(C)COC(=O)CCC(=O)O,"InChI=1/C9H16O4/c1-9(2,3)6-13-8(12)5-4-7(10)11/h4-6H2,1-3H3,(H,10,11)",C9H16O4,,,,,,CSYGSMPRMSYYJY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.176,279-418-2,80192-56-9,"2,4-dimethylhepta-2,6-dien-1-ol","2,4-dimethylhepta-2,6-dien-1-ol",CC(=CC(C)CC=C)CO,CC(=CC(C)CC=C)CO,"InChI=1/C9H16O/c1-4-5-8(2)6-9(3)7-10/h4,6,8,10H,1,5,7H2,2-3H3",C9H16O,,,,,,YBRHBMHQQIEOOL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.177,279-419-8,80198-26-1,"2,6-diamino-N,N-dibutyltoluene-4-sulphonamide","3,5-diamino-N,N-dibutyl-4-methylbenzenesulfonamide",CCCCN(CCCC)S(=O)(=O)c1cc(N)c(C)c(N)c1,CCCCN(CCCC)S(=O)(=O)c1cc(N)c(C)c(N)c1,"InChI=1/C15H27N3O2S/c1-4-6-8-18(9-7-5-2)21(19,20)13-10-14(16)12(3)15(17)11-13/h10-11H,4-9,16-17H2,1-3H3",C15H27N3O2S,,,,,,QKJFIJCITRHJRN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.178,279-420-3,80206-82-2,"Alcohols, C12-14",tridecan-1-ol,CCCCCCCCCCCCCO,CCCCCCCCCCCCCO,"InChI=1/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3",-,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17453,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.178,XFRVVPUIAFSTFO-UHFFFAOYSA-N,,,,,,,,,,,
100.047.230,251-969-3,34370-53-1,Sodium zirconium hydrogen bis(phosphate),sodium zirconium hydrogen bis(phosphate),[Na+].[Zr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Na+].[Zr+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Na.2H3O4P.Zr/c;2*1-5(2,3)4;/h;2*(H3,1,2,3,4);/q+1;;;+2/p-6",H3O4P.1/2Na.1/2Zr,,,,,,KNWZLFRSKRVESZ-UHFFFAOYSA-H,,,,,,,,,,,
100.047.233,251-973-5,34374-08-8,"6,6'-(carbonyldiimino)bis[1-methylquinolinium] sulphate",1-methyl-6-{[(1-methylquinolinium-6-yl)carbamoyl]amino}quinolinium sulfate,C[n+]1cccc2cc(NC(=O)Nc3ccc4c(ccc[n+]4C)c3)ccc12.[O-]S(=O)(=O)[O-],C[n+]1cccc2cc(NC(=O)Nc3ccc4c(ccc[n+]4C)c3)ccc12.[O-]S(=O)(=O)[O-],"InChI=1/C21H19N4O.H2O4S/c1-24-11-3-5-15-13-17(7-9-19(15)24)22-21(26)23-18-8-10-20-16(14-18)6-4-12-25(20)2;1-5(2,3)4/h3-14H,1-2H3,(H-,22,23,26);(H2,1,2,3,4)/q+1;/p-1",C21H20N4O.O4S,,,,,,CYJHJKHNVBPIHY-UHFFFAOYSA-M,,,,,,,,,,,
100.047.234,251-974-0,34375-28-5,2-(hydroxymethylamino)ethanol,2-[hydroxy(methyl)amino]ethanol,CN(O)CCO,CN(O)CCO,"InChI=1/C3H9NO2/c1-4(6)2-3-5/h5-6H,2-3H2,1H3",C3H9NO2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17617,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.234,KNYGFYTZAQKWSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.235,251-975-6,34375-39-8,"N,N'-diacetyladipohydrazide","N~1~,N'~1~-diacetylhexanedihydrazide",CC(=O)NN(C(=O)C)C(=O)CCCCC(=O)NN,CC(=O)NN(C(=O)C)C(=O)CCCCC(=O)NN,"InChI=1/C10H18N4O4/c1-7(15)13-14(8(2)16)10(18)6-4-3-5-9(17)12-11/h3-6,11H2,1-2H3,(H,12,17)(H,13,15)",C10H18N4O4,,,,,,FDSWXSIYVKPLBE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.241,251-981-9,34381-71-0,(S)-methylpyrrolidine-2-methanol,(1-methylpyrrolidin-2-yl)methanol,CN1CCC[C@H]1CO,CN1CCC[C@H]1CO,"InChI=1/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3",C6H13NO,,,,,,VCOJPHPOVDIRJK-LURJTMIESA-N,,,,,,,,,,,
100.047.244,251-985-0,34384-77-5,Propyl ß-D-glucopyranoside,propyl beta-D-glucopyranoside,CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C9H18O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h5-13H,2-4H2,1H3",C9H18O6,,,,,,ITOWTHYPYGRTRL-SYHAXYEDSA-N,,,,,,,,,,,
100.047.245,251-986-6,34386-60-2,2-methyldodec-11-en-2-ol,2-methyldodec-11-en-2-ol,CC(C)(O)CCCCCCCCC=C,CC(C)(O)CCCCCCCCC=C,"InChI=1/C13H26O/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4,14H,1,5-12H2,2-3H3",C13H26O,,,,,,XMZZQSLRRDAHIW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.246,251-987-1,34390-22-2,(trimethoxysilyl)aniline,2-(trimethoxysilyl)aniline,CO[Si](OC)(OC)c1ccccc1N,CO[Si](OC)(OC)c1ccccc1N,"InChI=1/C9H15NO3Si/c1-11-14(12-2,13-3)9-7-5-4-6-8(9)10/h4-7H,10H2,1-3H3",C9H15NO3Si,,,,,,XWQDPPJDXCZWQE-UHFFFAOYSA-N,,,,,,,,,,,
100.047.247,251-988-7,34391-96-3,1-amino-3-chloro-4-hydroxy-2-phenoxyanthraquinone,"1-amino-3-chloro-4-hydroxy-2-phenoxy-9,10-anthraquinone",Nc1c(Oc2ccccc2)c(Cl)c(O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Oc2ccccc2)c(Cl)c(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H12ClNO4/c21-15-19(25)14-13(16(22)20(15)26-10-6-2-1-3-7-10)17(23)11-8-4-5-9-12(11)18(14)24/h1-9,25H,22H2",C20H12ClNO4,,,,,,JYEYYBHLLCRINZ-UHFFFAOYSA-N,,,,,,,,,,,
100.047.248,251-989-2,34392-85-3,2-chloro-6-methoxypyridin-3-amine,2-chloro-6-methoxypyridin-3-amine,COc1ccc(N)c(Cl)n1,COc1ccc(N)c(Cl)n1,"InChI=1/C6H7ClN2O/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,8H2,1H3",C6H7ClN2O,,,,,,AOGGRVIJAHZLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.046.375,251-029-2,32422-03-0,Tetrasodium [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,tetrasodium {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[Na+].[Na+].[Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.4Na/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4",C4H13NO7P2.4Na,,,,,,YNCIDAAHPJTKAG-UHFFFAOYSA-J,,,,,,,,,,,
100.070.832,277-938-4,74649-88-0,"2-decyl-1,4,7,10,13-pentaoxacyclopentadecane","2-decyl-1,4,7,10,13-pentaoxacyclopentadecane",CCCCCCCCCCC1COCCOCCOCCOCCO1,CCCCCCCCCCC1COCCOCCOCCOCCO1,"InChI=1/C20H40O5/c1-2-3-4-5-6-7-8-9-10-20-19-24-16-15-22-12-11-21-13-14-23-17-18-25-20/h20H,2-19H2,1H3",C20H40O5,,,,,,OJJIHHOHJLKUBM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.842,277-949-4,74651-67-5,"2,3-dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide monohydrochloride","2,3-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(methylsulfamoyl)benzamide hydrochloride",Cl.CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,Cl.CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C,"InChI=1/C16H25N3O5S.ClH/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2;/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20);1H",C16H25N3O5S.ClH,,,,,,ALHNNRXEJWFXLT-UHFFFAOYSA-N,,,,,,,,,,,
100.070.845,277-953-6,74663-98-2,"1,1-bis(cinnamyloxy)-2-phenylethane","1,1'-[(2-phenylethane-1,1-diyl)bis(oxyprop-1-ene-3,1-diyl)]dibenzene",C(OC(Cc1ccccc1)OC\\C=C\\c2ccccc2)\\C=C\\c3ccccc3,C(OC(Cc1ccccc1)OC\C=C\c2ccccc2)\C=C\c3ccccc3,"InChI=1/C26H26O2/c1-4-12-23(13-5-1)18-10-20-27-26(22-25-16-8-3-9-17-25)28-21-11-19-24-14-6-2-7-15-24/h1-19,26H,20-22H2",C26H26O2,,,,,,KYKTVHZQISJUQV-XOBNHNQQSA-N,,,,,,,,,,,
100.070.862,277-971-4,74710-25-1,Tris(diethylammonium) phosphate,tris(N-ethylethanaminium) phosphate,CC[NH2+]CC.CC[NH2+]CC.CC[NH2+]CC.[O-]P(=O)([O-])[O-],CC[NH2+]CC.CC[NH2+]CC.CC[NH2+]CC.[O-]P(=O)([O-])[O-],"InChI=1/3C4H11N.H3O4P/c3*1-3-5-4-2;1-5(2,3)4/h3*5H,3-4H2,1-2H3;(H3,1,2,3,4)",C4H11N.1/3H3O4P,,,,,,SXRAODMECQEOMY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.322,282-880-8,84434-87-7,Lithium 1H-indole-3-acetate,lithium 1H-indol-3-ylacetate,[Li+].[O-]C(=O)Cc1c[nH]c2ccccc12,[Li+].[O-]C(=O)Cc1c[nH]c2ccccc12,"InChI=1/C10H9NO2.Li/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);/q;+1/p-1",C10H9NO2.Li,,,,,,FRVPNUXWQWLOTB-UHFFFAOYSA-M,,,,,,,,,,,
100.075.323,282-881-3,84434-88-8,Lithium ethanethioate,lithium ethanethioate,[Li+].CC(=O)[S-],[Li+].CC(=O)[S-],"InChI=1/C2H4OS.Li/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",C2H4OS.Li,,,,,,LTFUIUOXHVKIAE-UHFFFAOYSA-M,,,,,,,,,,,
100.077.302,285-062-9,85006-33-3,"Decyl 3,5,5-trimethylhexyl hydrogen phosphate","decyl 3,5,5-trimethylhexyl hydrogen phosphate",CCCCCCCCCCOP(=O)(O)OCCC(C)CC(C)(C)C,CCCCCCCCCCOP(=O)(O)OCCC(C)CC(C)(C)C,"InChI=1/C19H41O4P/c1-6-7-8-9-10-11-12-13-15-22-24(20,21)23-16-14-18(2)17-19(3,4)5/h18H,6-17H2,1-5H3,(H,20,21)",C19H41O4P,,,,,,HHMIRQAPOPSMHL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.475,280-845-1,83784-14-9,6-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-5-hydroxynaphthalene-1-sulphonic acid,6-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonic acid,Oc3c(N=Nc2ccc1c(cccc1c2O)S(O)(=O)=O)cc(cc3Cl)[N+]([O-])=O,Oc3c(N=Nc2ccc1c(cccc1c2O)S(O)(=O)=O)cc(cc3Cl)[N+]([O-])=O,"InChI=1/C16H10ClN3O7S/c17-11-6-8(20(23)24)7-13(16(11)22)19-18-12-5-4-9-10(15(12)21)2-1-3-14(9)28(25,26)27/h1-7,21-22H,(H,25,26,27)",C16H10ClN3O7S,,,,,,PLPTZWWIXGTJFI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.480,280-850-9,83789-26-8,"2,6-dibutyl-4-(2-methylpropyl)-2H-1,2,6-thiadiazine-3,5(4H,6H)-dione 1,1-dioxide","2,6-dibutyl-4-isobutyl-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide",CCCCN1C(=O)C(CC(C)C)C(=O)N(CCCC)S1(=O)=O,CCCCN1C(=O)C(CC(C)C)C(=O)N(CCCC)S1(=O)=O,"InChI=1/C15H28N2O4S/c1-5-7-9-16-14(18)13(11-12(3)4)15(19)17(10-8-6-2)22(16,20)21/h12-13H,5-11H2,1-4H3",C15H28N2O4S,,,,,,KILVSSSYOSIDBU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.230,279-477-4,80459-59-2,"N,N-bis[3-(dimethylamino)propyl]formamide","N,N-bis[3-(dimethylamino)propyl]formamide",CN(C)CCCN(CCCN(C)C)C=O,CN(C)CCCN(CCCN(C)C)C=O,"InChI=1/C11H25N3O/c1-12(2)7-5-9-14(11-15)10-6-8-13(3)4/h11H,5-10H2,1-4H3",C11H25N3O,,,,,,CAAWLEUNKIZZLS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.234,279-482-1,80480-24-6,"5-methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane","5-methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane",CCCC(C)C1OCC(C)(CCC)CO1,CCCC(C)C1OCC(C)(CCC)CO1,"InChI=1/C13H26O2/c1-5-7-11(3)12-14-9-13(4,8-6-2)10-15-12/h11-12H,5-10H2,1-4H3",C13H26O2,,,,,,LODLFUCEWWWXPR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.235,279-483-7,80480-32-6,"N,N,3,5,5-pentamethylhexanamide","N,N,3,5,5-pentamethylhexanamide",CC(CC(=O)N(C)C)CC(C)(C)C,CC(CC(=O)N(C)C)CC(C)(C)C,"InChI=1/C11H23NO/c1-9(8-11(2,3)4)7-10(13)12(5)6/h9H,7-8H2,1-6H3",C11H23NO,,,,,,DPBOCZZMRUVIDT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.243,279-492-6,80538-43-8,Ethyl N-(benzoyloxy)laurimidate,ethyl N-(benzoyloxy)dodecanimidoate,O=C(ON=C(CCCCCCCCCCC)OCC)c1ccccc1,O=C(ON=C(CCCCCCCCCCC)OCC)c1ccccc1,"InChI=1/C21H33NO3/c1-3-5-6-7-8-9-10-11-15-18-20(24-4-2)22-25-21(23)19-16-13-12-14-17-19/h12-14,16-17H,3-11,15,18H2,1-2H3",C21H33NO3,,,,,,XYESDUBQSHLTPD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.245,279-494-7,80550-09-0,2-hydroxypropyl phenylacetate,2-hydroxypropyl phenylacetate,CC(O)COC(=O)Cc1ccccc1,CC(O)COC(=O)Cc1ccccc1,"InChI=1/C11H14O3/c1-9(12)8-14-11(13)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3",C11H14O3,,,,,,DMVWKGDEFQXZJS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.878,281-290-8,83918-56-3,"2,3,5-tribromo-4-chloro-6-methylphenol","2,3,5-tribromo-4-chloro-6-methylphenol",Cc1c(O)c(Br)c(Br)c(Cl)c1Br,Cc1c(O)c(Br)c(Br)c(Cl)c1Br,"InChI=1/C7H4Br3ClO/c1-2-3(8)6(11)4(9)5(10)7(2)12/h12H,1H3",C7H4Br3ClO,,,,,,DUSUUBJAFMIHQB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.886,281-299-7,83918-64-3,"[(3,7-dimethyl-6-octenyl)oxy]dimethoxymethylsilane","{[(3,7-dimethyloct-6-en-1-yl)oxy](dimethoxy)methyl}silane",COC([SiH3])(OC)OCCC(C)CCC=C(C)C,COC([SiH3])(OC)OCCC(C)CCC=C(C)C,"InChI=1/C13H28O3Si/c1-11(2)7-6-8-12(3)9-10-16-13(17,14-4)15-5/h7,12H,6,8-10H2,1-5,17H3",C13H28O3Si,,,,,,GMWAYGMCAOQRBT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.343,282-903-1,84455-42-5,2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium p-toluenesulphonate,"2-({3-allyl-5-[2-(1-methylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CN6/C=C\\C(=CC=C4SC(=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC=C)C4=O)c5ccccc56,[O-]S(=O)(=O)c1ccc(C)cc1.CN6/C=C\C(=CC=C4SC(=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC=C)C4=O)c5ccccc56,"InChI=1/C34H30N3O2S.C7H8O3S/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-19,21-23H,1,5,20H2,2-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C34H30N3O2S.C7H7O3S,,,,,,DONWKFNSWNNLDA-UHFFFAOYSA-M,,,,,,,,,,,
100.075.356,282-917-8,84473-63-2,"a-methylbenzylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",dihydrogen 1-phenylethanaminium citrate,CC([NH3+])c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC([NH3+])c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C8H11N.C6H8O7/c1-7(9)8-5-3-2-4-6-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7H,9H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C8H11N.C6H8O7,,,,,,PNCVNNDPBHXPTE-UHFFFAOYSA-L,,,,,,,,,,,
100.073.711,281-107-1,83863-44-9,1-(2-methoxyphenyl)-4-(p-tolylsulphonyl)piperazine,1-(2-methoxyphenyl)-4-[(4-methylphenyl)sulfonyl]piperazine,COc1ccccc1N2CCN(CC2)S(=O)(=O)c3ccc(C)cc3,COc1ccccc1N2CCN(CC2)S(=O)(=O)c3ccc(C)cc3,"InChI=1/C18H22N2O3S/c1-15-7-9-16(10-8-15)24(21,22)20-13-11-19(12-14-20)17-5-3-4-6-18(17)23-2/h3-10H,11-14H2,1-2H3",C18H22N2O3S,,,,,,LGBHNNGNTSGBAA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.714,281-110-8,83863-47-2,1-[(4-phenylpiperidin-4-yl)carbonyl]piperidine monohydrochloride,4-phenyl-4-(piperidin-1-ylcarbonyl)piperidine hydrochloride,Cl.O=C(N1CCCCC1)C2(CCNCC2)c3ccccc3,Cl.O=C(N1CCCCC1)C2(CCNCC2)c3ccccc3,"InChI=1/C17H24N2O.ClH/c20-16(19-13-5-2-6-14-19)17(9-11-18-12-10-17)15-7-3-1-4-8-15;/h1,3-4,7-8,18H,2,5-6,9-14H2;1H",C17H24N2O.ClH,,,,,,HRPFHZZRQIGZFS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.719,281-116-0,83863-52-9,"N-ethyl-2,3-dihydrobenzo[b]thiophen-3-amine 1,1-dioxide","N-ethyl-2,3-dihydro-1-benzothiophen-3-amine 1,1-dioxide",CCNC1CS(=O)(=O)c2ccccc12,CCNC1CS(=O)(=O)c2ccccc12,"InChI=1/C10H13NO2S/c1-2-11-9-7-14(12,13)10-6-4-3-5-8(9)10/h3-6,9,11H,2,7H2,1H3",C10H13NO2S,,,,,,LTMBFZGPQJDUIM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.721,281-118-1,83863-54-1,"4-amino-5-hydroxy-3-[[4-[[[4-[(4-hydroxy-8-sulpho-1-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonic acid","4-amino-5-hydroxy-3-{[4-({4-[(4-hydroxy-8-sulfo-1-naphthyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid",OS(=O)(=O)c1cccc2c1c(ccc2O)N=Nc3ccc(cc3)NC(=O)c4ccc(cc4)N=Nc5c(N)c7c(cc5S(O)(=O)=O)cc(c(N=Nc6ccccc6)c7O)S(O)(=O)=O,OS(=O)(=O)c1cccc2c1c(ccc2O)N=Nc3ccc(cc3)NC(=O)c4ccc(cc4)N=Nc5c(N)c7c(cc5S(O)(=O)=O)cc(c(N=Nc6ccccc6)c7O)S(O)(=O)=O,"InChI=1/C39H28N8O12S3/c40-35-33-22(20-32(62(57,58)59)37(38(33)49)47-43-24-5-2-1-3-6-24)19-31(61(54,55)56)36(35)46-44-25-11-9-21(10-12-25)39(50)41-23-13-15-26(16-14-23)42-45-28-17-18-29(48)27-7-4-8-30(34(27)28)60(51,52)53/h1-20,48-49H,40H2,(H,41,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)",C39H28N8O12S3,,,,,,BCXWQSXAZKUGBA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.723,281-120-2,83863-56-3,"Bis[(1,5-dimethyl-1-vinylhex-4-enyl)oxy]methoxymethylsilane","({bis[(1,5-dimethyl-1-vinylhex-4-en-1-yl)oxy]methoxy}methyl)silane",CC(=CCCC(C)(OC(OC[SiH3])OC(C)(CCC=C(C)C)C=C)C=C)C,CC(=CCCC(C)(OC(OC[SiH3])OC(C)(CCC=C(C)C)C=C)C=C)C,"InChI=1/C22H40O3Si/c1-9-21(7,15-11-13-18(3)4)24-20(23-17-26)25-22(8,10-2)16-12-14-19(5)6/h9-10,13-14,20H,1-2,11-12,15-17H2,3-8,26H3",C22H40O3Si,,,,,,XEOMNDGCLHUFLP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.726,281-123-9,83863-59-6,Dimethoxymethyl[1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethoxy]silane,(dimethoxymethyl)[1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethoxy]silane,COC(OC)[SiH2]OC(C)(C)C1CCC(=CC1)C,COC(OC)[SiH2]OC(C)(C)C1CCC(=CC1)C,"InChI=1/C13H26O3Si/c1-10-6-8-11(9-7-10)13(2,3)16-17-12(14-4)15-5/h6,11-12H,7-9,17H2,1-5H3",C13H26O3Si,,,,,,IGFMDUQDRALDQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.586,283-171-6,84559-83-1,"N-[3-[[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]carbonyl]phenyl]-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine","N~2~-isobutyryl-N~2~-octadecyl-N-(3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]carbamoyl}phenyl)-L-asparagine",CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)C(=O)O)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)C(=O)O)C(=O)C(C)C,"InChI=1/C42H58Cl3N5O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-49(41(54)29(2)3)35(42(55)56)27-37(51)46-32-22-20-21-30(24-32)40(53)47-36-28-38(52)50(48-36)39-33(44)25-31(43)26-34(39)45/h20-22,24-26,29,35H,4-19,23,27-28H2,1-3H3,(H,46,51)(H,55,56)(H,47,48,53)",C42H58Cl3N5O6,,,,,,AMBHRCZUHVVLOU-DHUJRADRSA-N,,,,,,,,,,,
100.075.587,283-172-1,84559-86-4,"N,N'-(5,10,15,16,17,22,23,24-octahydro-5,10,15,17,22,24-hexaoxonaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-4,11-diyl)bis(benzamide)","N,N'-(5,7,12,14,19,24-hexaoxo-5,6,7,12,13,14,19,24-octahydrodinaphtho[2,3-a:2',3'-i]naphtho[2',3':6,7]indolo[2,3-c]carbazole-1,18-diyl)dibenzamide",O=C(NC1=C2C=C3C=CC4=C5C(=NC4=C3C=C2C=CC1=O)C6=C(C(=O)c7cccc(NC(=O)c8ccccc8)c7C6=O)c9[nH]c%10C%11=C(CC(=O)c%10c59)C(=O)c%12ccccc%12C%11=O)c%13ccccc%13,O=C(NC1=C2C=C3C=CC4=C5C(=NC4=C3C=C2C=CC1=O)C6=C(C(=O)c7cccc(NC(=O)c8ccccc8)c7C6=O)c9[nH]c%10C%11=C(CC(=O)c%10c59)C(=O)c%12ccccc%12C%11=O)c%13ccccc%13,"InChI=1/C56H28N4O8/c61-37-21-19-28-22-33-27(23-34(28)47(37)60-56(68)26-12-5-2-6-13-26)18-20-31-40-43-42-38(62)24-35-41(52(64)30-15-8-7-14-29(30)51(35)63)49(42)59-50(43)44-45(48(40)58-46(31)33)54(66)39-32(53(44)65)16-9-17-36(39)57-55(67)25-10-3-1-4-11-25/h1-23,59H,24H2,(H,57,67)(H,60,68)",C56H28N4O8,,,,,,SAFYKZNZOYPQPT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.588,283-173-7,84559-87-5,"N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[4-methylbenzamide]","N,N'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(4-methylbenzamide)",Cc1ccc(cc1)C(=O)Nc2ccc(O)c3C(=O)c4c(NC(=O)c5ccc(C)cc5)ccc(O)c4C(=O)c23,Cc1ccc(cc1)C(=O)Nc2ccc(O)c3C(=O)c4c(NC(=O)c5ccc(C)cc5)ccc(O)c4C(=O)c23,"InChI=1/C30H22N2O6/c1-15-3-7-17(8-4-15)29(37)31-19-11-13-21(33)25-23(19)27(35)26-22(34)14-12-20(24(26)28(25)36)32-30(38)18-9-5-16(2)6-10-18/h3-14,33-34H,1-2H3,(H,31,37)(H,32,38)",C30H22N2O6,,,,,,QFZQJMRTQPNEEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.182,279-425-0,80228-87-1,"N,N-bis[(triethoxysilyl)methyl]cyclohexylamine","N,N-bis[(triethoxysilyl)methyl]cyclohexanamine",CCO[Si](CN(C[Si](OCC)(OCC)OCC)C1CCCCC1)(OCC)OCC,CCO[Si](CN(C[Si](OCC)(OCC)OCC)C1CCCCC1)(OCC)OCC,"InChI=1/C20H45NO6Si2/c1-7-22-28(23-8-2,24-9-3)18-21(20-16-14-13-15-17-20)19-29(25-10-4,26-11-5)27-12-6/h20H,7-19H2,1-6H3",C20H45NO6Si2,,,,,,SCSFDJZWDRBMHD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.185,279-428-7,80228-91-7,[4-(carbamoylsulphonyl)phenethyl][(5-methylisoxazol-3-yl)carbonyl]ammonium chloride,2-[4-(carbamoylsulfonyl)phenyl]-N-[(5-methylisoxazol-3-yl)carbonyl]ethanaminium chloride,[Cl-].Cc1onc(c1)C(=O)[NH2+]CCc2ccc(cc2)S(=O)(=O)C(=O)N,[Cl-].Cc1onc(c1)C(=O)[NH2+]CCc2ccc(cc2)S(=O)(=O)C(=O)N,"InChI=1/C14H15N3O5S.ClH/c1-9-8-12(17-22-9)13(18)16-7-6-10-2-4-11(5-3-10)23(20,21)14(15)19;/h2-5,8H,6-7H2,1H3,(H2,15,19)(H,16,18);1H",C14H14ClN3O5S,,,,,,VUTUJTJQGIJOBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.186,279-429-2,80228-92-8,"N,N-bis(carboxymethyl)glycine, compound with diethylamine (1:2)","2,2',2''-nitrilotriacetic acid - N-ethylethanamine (1:2)",CCNCC.CCNCC.OC(=O)CN(CC(=O)O)CC(=O)O,CCNCC.CCNCC.OC(=O)CN(CC(=O)O)CC(=O)O,"InChI=1/C6H9NO6.2C4H11N/c8-4(9)1-7(2-5(10)11)3-6(12)13;2*1-3-5-4-2/h1-3H2,(H,8,9)(H,10,11)(H,12,13);2*5H,3-4H2,1-2H3",C6H9NO6.2C4H11N,,,,,,MZMMBIWGZZXJFD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.255,282-806-4,84434-08-2,1-[[4-(oxophenylacetyl)phenyl]methyl]pyridinium bromide,1-{4-[oxo(phenyl)acetyl]benzyl}pyridinium bromide,[Br-].O=C(C(=O)c1ccc(C[n+]2ccccc2)cc1)c3ccccc3,[Br-].O=C(C(=O)c1ccc(C[n+]2ccccc2)cc1)c3ccccc3,"InChI=1/C20H16NO2.BrH/c22-19(17-7-3-1-4-8-17)20(23)18-11-9-16(10-12-18)15-21-13-5-2-6-14-21;/h1-14H,15H2;1H/q+1;/p-1",C20H16NO2.Br,,,,,,SWFRNIFNAUTMHU-UHFFFAOYSA-M,,,,,,,,,,,
100.075.257,282-809-0,84434-10-6,"1-methylethyl methyl(2,4,6-trimethylbenzoyl)phosphinate",isopropyl (mesitylcarbonyl)methylphosphinate,CC(C)OP(=O)(C)C(=O)c1c(C)cc(C)cc1C,CC(C)OP(=O)(C)C(=O)c1c(C)cc(C)cc1C,"InChI=1/C14H21O3P/c1-9(2)17-18(6,16)14(15)13-11(4)7-10(3)8-12(13)5/h7-9H,1-6H3",C14H21O3P,,,,,,YQCPKIVKTMRAQL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.259,282-811-1,84434-12-8,Sodium N-(2-aminoethyl)-ß-alaninate,sodium 3-[(2-aminoethyl)amino]propanoate,[Na+].NCCNCCC(=O)[O-],[Na+].NCCNCCC(=O)[O-],"InChI=1/C5H12N2O2.Na/c6-2-4-7-3-1-5(8)9;/h7H,1-4,6H2,(H,8,9);/q;+1/p-1",C5H12N2O2.Na,,,,,,GRRYHLMTCTVDNC-UHFFFAOYSA-M,,,,,,,,,,,
100.075.264,282-816-9,84434-17-3,Potassium 1-hydroxyethanesulphinate,potassium 1-hydroxyethanesulfinate,[K+].CC(O)S(=O)[O-],[K+].CC(O)S(=O)[O-],"InChI=1/C2H6O3S.K/c1-2(3)6(4)5;/h2-3H,1H3,(H,4,5);/q;+1/p-1",C2H6O3S.K,,,,,,DGEQNFITNFEYEG-UHFFFAOYSA-M,,,,,,,,,,,
100.075.265,282-817-4,84434-18-4,"N,2-dimethyl-N-phenylbutyramide","N,2-dimethyl-N-phenylbutanamide",CCC(C)C(=O)N(C)c1ccccc1,CCC(C)C(=O)N(C)c1ccccc1,"InChI=1/C12H17NO/c1-4-10(2)12(14)13(3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3",C12H17NO,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18326,https://echa.europa.eu/substance-information/-/substanceinfo/100.075.265,LNODIGSABOGNBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.267,282-820-0,84434-20-8,(Z)-hex-3-enyl acetoacetate,hex-3-en-1-yl 3-oxobutanoate,CC\\C=C/CCOC(=O)CC(=O)C,CC\C=C/CCOC(=O)CC(=O)C,"InChI=1/C10H16O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5H,3,6-8H2,1-2H3",C10H16O3,,,,,,JCPGKFSGEPVXMI-PLNGDYQASA-N,,,,,,,,,,,
100.075.268,282-821-6,84434-21-9,"1,1-bis[(3,7-dimethyloct-6-enyl)oxy]-2-methylundecane","1,1-bis[(3,7-dimethyloct-6-en-1-yl)oxy]-2-methylundecane",CCCCCCCCCC(C)C(OCCC(C)CCC=C(C)C)OCCC(C)CCC=C(C)C,CCCCCCCCCC(C)C(OCCC(C)CCC=C(C)C)OCCC(C)CCC=C(C)C,"InChI=1/C32H62O2/c1-9-10-11-12-13-14-15-22-31(8)32(33-25-23-29(6)20-16-18-27(2)3)34-26-24-30(7)21-17-19-28(4)5/h18-19,29-32H,9-17,20-26H2,1-8H3",C32H62O2,,,,,,NDLDFKJQTBZQSE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.276,282-830-5,84434-32-2,"2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium toluene-p-sulphonate","2-{3-[5,6-dichloro-1-(2-hydroxyethyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-en-1-yl}-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.Clc4cc5N(C)C(=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CCO)c5cc4Cl,[O-]S(=O)(=O)c1ccc(C)cc1.Clc4cc5N(C)C(=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CCO)c5cc4Cl,"InChI=1/C28H26Cl2N3O2.C7H8O3S/c1-3-32-25-16-20(19-8-5-4-6-9-19)12-13-26(25)35-28(32)11-7-10-27-31(2)23-17-21(29)22(30)18-24(23)33(27)14-15-34;1-6-2-4-7(5-3-6)11(8,9)10/h4-13,16-18,34H,3,14-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C28H26Cl2N3O2.C7H7O3S,,,,,,VQBUXFUINJEYEI-UHFFFAOYSA-M,,,,,,,,,,,
100.075.285,282-839-4,84434-41-3,"5-(phenylazo)toluene-2,4-diamine monoacetate","4-methyl-6-(phenyldiazenyl)benzene-1,3-diamine acetate",CC(O)=O.Cc2cc(N=Nc1ccccc1)c(N)cc2N,CC(O)=O.Cc2cc(N=Nc1ccccc1)c(N)cc2N,"InChI=1/C13H14N4.C2H4O2/c1-9-7-13(12(15)8-11(9)14)17-16-10-5-3-2-4-6-10;1-2(3)4/h2-8H,14-15H2,1H3;1H3,(H,3,4)",C13H14N4.C2H4O2,,,,,,TWECYHKZAYJTQK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.287,282-842-0,84434-43-5,"3-(phenylazo)toluene-2,6-diamine monoacetate","2-methyl-4-(phenyldiazenyl)benzene-1,3-diamine acetate",CC(O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2C,CC(O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2C,"InChI=1/C13H14N4.C2H4O2/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10;1-2(3)4/h2-8H,14-15H2,1H3;1H3,(H,3,4)",C13H14N4.C2H4O2,,,,,,JBJHXYMMZWGCIT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.412,257-672-5,52120-31-7,Tin di(octanolate),-,[Sn+4].CCCCCCCC[O-].CCCCCCCC[O-],[Sn+4].CCCCCCCC[O-].CCCCCCCC[O-],"InChI=1/2C8H17O.Sn/c2*1-2-3-4-5-6-7-8-9;/h2*2-8H2,1H3;/q2*-1;+4",C8H18O.1/2Sn,,,,,,OOAPVSWYQCHVGI-UHFFFAOYSA-N,,,,,,,,,,,
100.052.418,257-678-8,52128-53-7,cis-(±)-3-(acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(acetoxymethyl)-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,COC1(NC(=O)Cc2cccs2)C3SCC(=C(N3C1=O)C(=O)O)COC(=O)C,COC1(NC(=O)Cc2cccs2)C3SCC(=C(N3C1=O)C(=O)O)COC(=O)C,"InChI=1/C17H18N2O7S2/c1-9(20)26-7-10-8-28-16-17(25-2,15(24)19(16)13(10)14(22)23)18-12(21)6-11-4-3-5-27-11/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)",C17H18N2O7S2,,,,,,QLTVFUALEDMAKL-UHFFFAOYSA-N,,,,,,,,,,,
100.052.419,257-679-3,52130-69-5,"2-(2,4-dichlorophenoxy)-1-(1H-imidazol-1-yl)-4,4-dimethylpentan-3-one monohydrochloride","2-(2,4-dichlorophenoxy)-1-(1H-imidazol-1-yl)-4,4-dimethylpentan-3-one hydrochloride",Cl.CC(C)(C)C(=O)C(Cn1ccnc1)Oc2ccc(Cl)cc2Cl,Cl.CC(C)(C)C(=O)C(Cn1ccnc1)Oc2ccc(Cl)cc2Cl,"InChI=1/C16H18Cl2N2O2.ClH/c1-16(2,3)15(21)14(9-20-7-6-19-10-20)22-13-5-4-11(17)8-12(13)18;/h4-8,10,14H,9H2,1-3H3;1H",C16H18Cl2N2O2.ClH,,,,,,YIGSEEWDFZGHAV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.423,257-684-0,52132-61-3,"4-hydroxy-3,5-dinitrobenzaldehyde","4-hydroxy-3,5-dinitrobenzaldehyde",Oc1c(cc(C=O)cc1[N+](=O)[O-])[N+](=O)[O-],Oc1c(cc(C=O)cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H4N2O6/c10-3-4-1-5(8(12)13)7(11)6(2-4)9(14)15/h1-3,11H",C7H4N2O6,,,,,,DFAVWLKOYKKDFX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.428,257-689-8,52146-35-7,"1-[(3,4,5-trimethoxyphenyl)methyl]piperazine","1-(3,4,5-trimethoxybenzyl)piperazine",COc1cc(CN2CCNCC2)cc(OC)c1OC,COc1cc(CN2CCNCC2)cc(OC)c1OC,"InChI=1/C14H22N2O3/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3",C14H22N2O3,,,,,,OVEVYSWOILUFMF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.435,257-697-1,52166-72-0,"Sodium 2,5-dichlorophenolate","sodium 2,5-dichlorophenolate",[Na+].[O-]c1cc(Cl)ccc1Cl,[Na+].[O-]c1cc(Cl)ccc1Cl,"InChI=1/C6H4Cl2O.Na/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;/q;+1/p-1",C6H4Cl2O.Na,,,,,,YLJQSXXOUNWETA-UHFFFAOYSA-M,,,,,,,,,,,
100.052.440,257-702-7,52175-10-7,Adenine phosphate,9H-purin-6-amine phosphate,Nc1ncnc2[nH]cnc12.OP(=O)(O)O,Nc1ncnc2[nH]cnc12.OP(=O)(O)O,"InChI=1/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)",C5H5N5.xH3O4P,,,,,,CCHNOBQMQBSRHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.447,257-710-0,52181-07-4,1-benzyl-4-methylquinolinium chloride,1-benzyl-4-methylquinolinium chloride,[Cl-].Cc1cc[n+](Cc2ccccc2)c3ccccc13,[Cl-].Cc1cc[n+](Cc2ccccc2)c3ccccc13,"InChI=1/C17H16N.ClH/c1-14-11-12-18(13-15-7-3-2-4-8-15)17-10-6-5-9-16(14)17;/h2-12H,13H2,1H3;1H/q+1;/p-1",C17H16N.Cl,,,,,,CHVNPOOMQVUQHU-UHFFFAOYSA-M,,,,,,,,,,,
100.052.452,257-715-8,52184-14-2,"2,4-bis(tert-butyl)-6-[(2-nitrophenyl)azo]phenol","2,4-di-tert-butyl-6-[(2-nitrophenyl)diazenyl]phenol",Oc2c(cc(cc2N=Nc1ccccc1[N+]([O-])=O)C(C)(C)C)C(C)(C)C,Oc2c(cc(cc2N=Nc1ccccc1[N+]([O-])=O)C(C)(C)C)C(C)(C)C,"InChI=1/C20H25N3O3/c1-19(2,3)13-11-14(20(4,5)6)18(24)16(12-13)22-21-15-9-7-8-10-17(15)23(25)26/h7-12,24H,1-6H3",C20H25N3O3,,,,,,BBUYLEHVHUQHME-UHFFFAOYSA-N,,,,,,,,,,,
100.071.024,278-149-8,75239-49-5,Sodium bis(2-butoxyethyl) phosphate,sodium bis(2-butoxyethyl) phosphate,[Na+].CCCCOCCOP(=O)([O-])OCCOCCCC,[Na+].CCCCOCCOP(=O)([O-])OCCOCCCC,"InChI=1/C12H27O6P.Na/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+1/p-1",C12H27O6P.Na,,,,,,LIEWOUJIFLCDKO-UHFFFAOYSA-M,,,,,,,,,,,
100.071.031,278-157-1,75268-68-7,"Sodium 1-amino-4-[[3-[(chloroacetyl)amino]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({3-[(chloroacetyl)amino]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].ClCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O,[Na+].ClCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O,"InChI=1/C22H16ClN3O6S.Na/c23-10-17(27)26-12-5-3-4-11(8-12)25-15-9-16(33(30,31)32)20(24)19-18(15)21(28)13-6-1-2-7-14(13)22(19)29;/h1-9,25H,10,24H2,(H,26,27)(H,30,31,32);/q;+1/p-1",C22H16ClN3O6S.Na,,,,,,YWTKOICHRYFLKQ-UHFFFAOYSA-M,,,,,,,,,,,
100.046.380,251-035-5,32426-11-2,Decyldimethyloctylammonium chloride,"N,N-dimethyl-N-octyldecan-1-aminium chloride",[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCC,[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCC,"InChI=1/C20H44N.ClH/c1-5-7-9-11-13-14-16-18-20-21(3,4)19-17-15-12-10-8-6-2;/h5-20H2,1-4H3;1H/q+1;/p-1",C20H44N.Cl,,,,,,SCXCDVTWABNWLW-UHFFFAOYSA-M,,,,,,,,,,,
100.046.387,251-042-3,32442-99-2,N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-cystine,N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-cystine,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,"InChI=1/C18H23N3O6S3/c1-21(2)15-7-3-6-12-11(15)5-4-8-16(12)30(26,27)20-14(18(24)25)10-29-28-9-13(19)17(22)23/h3-8,13-14,20H,9-10,19H2,1-2H3,(H,22,23)(H,24,25)",C18H23N3O6S3,,,,,,USWIMCHOXDPGKC-KBPBESRZSA-N,,,,,,,,,,,
100.046.396,251-052-8,32449-41-5,"6-bromo-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-ol","6-bromo-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol",Cc1nc2ncnn2c(O)c1Br,Cc1nc2ncnn2c(O)c1Br,"InChI=1/C6H5BrN4O/c1-3-4(7)5(12)11-6(10-3)8-2-9-11/h2,12H,1H3",C6H5BrN4O,,,,,,IUWBPTDPBVIOOI-UHFFFAOYSA-N,,,,,,,,,,,
100.077.352,285-118-2,85029-95-4,"Adipic acid, compound with 2,2'-iminodiethanol (1:2)","hexanedioic acid - 2,2'-iminodiethanol (1:2)",OCCNCCO.OCCNCCO.OC(=O)CCCCC(=O)O,OCCNCCO.OCCNCCO.OC(=O)CCCCC(=O)O,"InChI=1/C6H10O4.2C4H11NO2/c7-5(8)3-1-2-4-6(9)10;2*6-3-1-5-2-4-7/h1-4H2,(H,7,8)(H,9,10);2*5-7H,1-4H2",C6H10O4.2C4H11NO2,,,,,,FEEXJOLKHCHAEX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.354,285-120-3,85029-97-6,"Suberic acid, compound with 2,2'-iminodiethanol (1:2)","octanedioic acid - 2,2'-iminodiethanol (1:2)",OCCNCCO.OCCNCCO.OC(=O)CCCCCCC(=O)O,OCCNCCO.OCCNCCO.OC(=O)CCCCCCC(=O)O,"InChI=1/C8H14O4.2C4H11NO2/c9-7(10)5-3-1-2-4-6-8(11)12;2*6-3-1-5-2-4-7/h1-6H2,(H,9,10)(H,11,12);2*5-7H,1-4H2",C8H14O4.2C4H11NO2,,,,,,VEABCXQSKCEIGD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.362,285-129-2,85030-05-3,"Azelaic acid, compound with 2,2',2''-nitrilotriethanol (1:2)","nonanedioic acid - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCC(=O)O,OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.2C6H15NO3/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*8-4-1-7(2-5-9)3-6-10/h1-7H2,(H,10,11)(H,12,13);2*8-10H,1-6H2",C9H16O4.2C6H15NO3,,,,,,WRNGHSHCHHZRRA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.364,285-131-3,85030-07-5,"Undecanedioic acid, compound with 2,2',2''-nitrilotriethanol (1:2)","undecanedioic acid - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCCC(=O)O,OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCCC(=O)O,"InChI=1/C11H20O4.2C6H15NO3/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;2*8-4-1-7(2-5-9)3-6-10/h1-9H2,(H,12,13)(H,14,15);2*8-10H,1-6H2",C11H20O4.2C6H15NO3,,,,,,ZNTMQZFNYHPDMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.366,285-133-4,85030-09-7,"2-(3-aminopropyl)-1,2-benzisothiazol-3(2H)-one","2-(3-aminopropyl)-1,2-benzisothiazol-3(2H)-one",NCCCN1Sc2ccccc2C1=O,NCCCN1Sc2ccccc2C1=O,"InChI=1/C10H12N2OS/c11-6-3-7-12-10(13)8-4-1-2-5-9(8)14-12/h1-2,4-5H,3,6-7,11H2",C10H12N2OS,,,,,,UORBMPNLYIVOCG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.370,285-138-1,85030-13-3,"1,5-dimethylhex-4-enyl propionate","1,5-dimethylhex-4-en-1-yl propionate",CCC(=O)OC(C)CCC=C(C)C,CCC(=O)OC(C)CCC=C(C)C,"InChI=1/C11H20O2/c1-5-11(12)13-10(4)8-6-7-9(2)3/h7,10H,5-6,8H2,1-4H3",C11H20O2,,,,,,QTQUCFACVUKEDR-UHFFFAOYSA-N,,,,,,,,,,,
100.077.372,285-140-2,85030-15-5,"2,5,5-trimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxane","2,5,5-trimethyl-2-(4-methylpent-3-en-1-yl)-1,3-dioxane",CC(=CCCC1(C)OCC(C)(C)CO1)C,CC(=CCCC1(C)OCC(C)(C)CO1)C,"InChI=1/C13H24O2/c1-11(2)7-6-8-13(5)14-9-12(3,4)10-15-13/h7H,6,8-10H2,1-5H3",C13H24O2,,,,,,SXMVQVKIMXRILP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.487,280-858-2,83803-41-2,"Disodium 3,3'-[[6-(4-chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[(3-hydroxy-2,1-phenylene)oxy]]bispropanesulphonate","disodium 3,3'-{[6-(4-chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[(3-hydroxy-2,1-phenylene)oxy]}dipropane-1-sulfonate",[Na+].[Na+].Oc1cccc(OCCCS(=O)(=O)[O-])c1c2nc(nc(n2)c3c(O)cccc3OCCCS(=O)(=O)[O-])c4ccc(Cl)cc4,[Na+].[Na+].Oc1cccc(OCCCS(=O)(=O)[O-])c1c2nc(nc(n2)c3c(O)cccc3OCCCS(=O)(=O)[O-])c4ccc(Cl)cc4,"InChI=1/C27H26ClN3O10S2.2Na/c28-18-11-9-17(10-12-18)25-29-26(23-19(32)5-1-7-21(23)40-13-3-15-42(34,35)36)31-27(30-25)24-20(33)6-2-8-22(24)41-14-4-16-43(37,38)39;;/h1-2,5-12,32-33H,3-4,13-16H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C27H26ClN3O10S2.2Na,,,,,,AEDBRSGKPLSQJW-UHFFFAOYSA-L,,,,,,,,,,,
100.073.497,280-869-2,83803-51-4,3-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,3-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde,CC(C)CCCC1=CCCC(C1)C=O,CC(C)CCCC1=CCCC(C1)C=O,"InChI=1/C13H22O/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h7,10-11,13H,3-6,8-9H2,1-2H3",C13H22O,,,,,,VJHUPOBBPQKVKU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.128,282-668-5,84282-21-3,2-[2-[[4-(2-hydroxyethoxy)-2-butynyl]oxy]ethoxy]ethanol,2-(2-{[4-(2-hydroxyethoxy)but-2-yn-1-yl]oxy}ethoxy)ethanol,OCCOCCOCC#CCOCCO,OCCOCCOCC#CCOCCO,"InChI=1/C10H18O5/c11-3-7-13-5-1-2-6-14-9-10-15-8-4-12/h11-12H,3-10H2",C10H18O5,,,,,,TWNJCZLTHAGRRE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.137,282-677-4,84282-31-5,"1-[2-[[4-[(2,5-dichlorophenyl)azo]phenyl]ethylamino]ethyl]pyridinium tetrachlorozincate (2:1)","bis(1-{2-[{4-[(2,5-dichlorophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium) tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.Clc3cc(N=Nc1ccc(cc1)N(CC)CC[n+]2ccccc2)c(Cl)cc3.Clc3cc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)cc3,Cl[Zn-2](Cl)(Cl)Cl.Clc3cc(N=Nc1ccc(cc1)N(CC)CC[n+]2ccccc2)c(Cl)cc3.Clc3cc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)cc3,"InChI=1/2C21H21Cl2N4.4ClH.Zn/c2*1-2-27(15-14-26-12-4-3-5-13-26)19-9-7-18(8-10-19)24-25-21-16-17(22)6-11-20(21)23;;;;;/h2*3-13,16H,2,14-15H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C21H21Cl2N4.Cl4Zn/c2*1-2-27(15-14-26-12-4-3-5-13-26)19-9-7-18(8-10-19)24-25-21-16-17(22)6-11-20(21)23;1-5(2,3)4/h2*3-13,16H,2,14-15H2,1H3;/q2*+1;-2",C21H21Cl2N4.1/2Cl4Zn,,,,,,WMAHHJFSFLTOAB-UHFFFAOYSA-J,,,,,,,,,,,
100.075.140,282-681-6,84282-34-8,"2,6-dimethyl-4-phenylpyrylium hexafluorophosphate","2,6-dimethyl-4-phenylpyrylium hexafluorophosphate",Cc1cc(cc(C)[o+]1)c2ccccc2.F[P-](F)(F)(F)(F)F,Cc1cc(cc(C)[o+]1)c2ccccc2.F[P-](F)(F)(F)(F)F,"InChI=1/C13H13O.F6P/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12;1-7(2,3,4,5)6/h3-9H,1-2H3;/q+1;-1",C13H13O.F6P,,,,,,ZLPYQPYUYPJFLE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.141,282-682-1,84282-36-0,"2,6-dimethyl-4-(1-naphthyl)pyrylium hexafluoroarsenate","2,6-dimethyl-4-(1-naphthyl)pyrylium hexafluoroarsenate(1-)",Cc1cc(cc(C)[o+]1)c2cccc3ccccc23.F[As-](F)(F)(F)(F)F,Cc1cc(cc(C)[o+]1)c2cccc3ccccc23.F[As-](F)(F)(F)(F)F,"InChI=1/C17H15O.AsF6/c1-12-10-15(11-13(2)18-12)17-9-5-7-14-6-3-4-8-16(14)17;2-1(3,4,5,6)7/h3-11H,1-2H3;/q+1;-1",C17H15O.AsF6,,,,,,KIXLJKDDPCLKJS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.594,283-180-5,84559-93-3,"Stearic acid, compound with N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)","octadecanoic acid - 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)",CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,"InChI=1/C19H20N6O.2C18H36O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2-17H2,1H3,(H,19,20)",C19H20N6O.2C18H36O2,,,,,,OKQSPVZOWURCQS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.596,283-182-6,84559-95-5,"Formic acid, compound with N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)","formic acid - 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)",OC=O.OC=O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,OC=O.OC=O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,"InChI=1/C19H20N6O.2CH2O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*2-1-3/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*1H,(H,2,3)",C19H20N6O.2CH2O2,,,,,,LWGBOTOGGAKTHU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.597,283-183-1,84559-96-6,1-[5-methyl-2-(1-methylethyl)-2-cyclohexen-1-yl]propan-1-one,1-(2-isopropyl-5-methylcyclohex-2-en-1-yl)propan-1-one,CCC(=O)C1CC(C)CC=C1C(C)C,CCC(=O)C1CC(C)CC=C1C(C)C,"InChI=1/C13H22O/c1-5-13(14)12-8-10(4)6-7-11(12)9(2)3/h7,9-10,12H,5-6,8H2,1-4H3",C13H22O,,,,,,WQTULNIVXGGNNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.602,283-188-9,84560-01-0,"8-hydroxy-2,6-dimethyloctan-3-one","8-hydroxy-2,6-dimethyloctan-3-one",CC(C)C(=O)CCC(C)CCO,CC(C)C(=O)CCC(C)CCO,"InChI=1/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h8-9,11H,4-7H2,1-3H3",C10H20O2,,,,,,DCMADGNDUAGIQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.617,283-204-4,84580-22-3,"Tripotassium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionate","tripotassium 3-(2-carboxylatoethyl)-5-(carboxylatomethyl)-12-ethyl-13-formyl-2,8,18-trimethyl-17-vinyl-2H,3H-porphine-7-carboxylate",[K+].[K+].[K+].CCC1=C(C=O)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-],[K+].[K+].[K+].CCC1=C(C=O)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-],"InChI=1/C34H32N4O7.3K/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3",C34H34N4O7.3K,,,,,,FXSHITMRWXIDER-RUSRHYLNSA-K,,,,,,,,,,,
100.071.853,279-062-8,79102-66-2,"Dimethyl 2-[[1-[[[4-[[2-[[2-(methoxycarbonyl)phenyl]azo]-1,3-dioxobutyl]amino]phenyl]amino]carbonyl]-2-oxopropyl]azo]terephthalate",dimethyl 2-{[1-({4-[(2-{[2-(methoxycarbonyl)phenyl]diazenyl}-3-oxobutanoyl)amino]phenyl}carbamoyl)-2-oxopropyl]diazenyl}terephthalate,COC(=O)c3ccccc3N=NC(C(C)=O)C(=O)Nc1ccc(cc1)NC(=O)C(N=Nc2cc(ccc2C(=O)OC)C(=O)OC)C(C)=O,COC(=O)c3ccccc3N=NC(C(C)=O)C(=O)Nc1ccc(cc1)NC(=O)C(N=Nc2cc(ccc2C(=O)OC)C(=O)OC)C(C)=O,"InChI=1/C32H30N6O10/c1-17(39)26(37-35-24-9-7-6-8-22(24)31(44)47-4)28(41)33-20-11-13-21(14-12-20)34-29(42)27(18(2)40)38-36-25-16-19(30(43)46-3)10-15-23(25)32(45)48-5/h6-16,26-27H,1-5H3,(H,33,41)(H,34,42)",C32H30N6O10,,,,,,BCCHLRMBMFIGAS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.867,279-078-5,79135-78-7,"Sodium 5-[[9,10-dihydro-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]-1-anthryl]amino]-2-hydroxybenzenesulphonate","sodium 5-({9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]-9,10-dihydroanthracen-1-yl}amino)-2-hydroxybenzenesulfonate",[Na+].CC1CC(CC(C)(C)C1)Nc2ccc(Nc3ccc(O)c(c3)S(=O)(=O)[O-])c4C(=O)c5ccccc5C(=O)c24,[Na+].CC1CC(CC(C)(C)C1)Nc2ccc(Nc3ccc(O)c(c3)S(=O)(=O)[O-])c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C29H30N2O6S.Na/c1-16-12-18(15-29(2,3)14-16)31-22-10-9-21(30-17-8-11-23(32)24(13-17)38(35,36)37)25-26(22)28(34)20-7-5-4-6-19(20)27(25)33;/h4-11,13,16,18,30-32H,12,14-15H2,1-3H3,(H,35,36,37);/q;+1/p-1",C29H30N2O6S.Na,,,,,,ARPHWTDLOMEVJX-UHFFFAOYSA-M,,,,,,,,,,,
100.071.873,279-084-8,79135-84-5,"N-(2,5-dimethoxyphenyl)-4-[[5-[(dimethylamino)sulphonyl]-2-hydroxyphenyl]azo]-3-hydroxynaphthalene-2-carboxamide","N-(2,5-dimethoxyphenyl)-4-{[5-(dimethylsulfamoyl)-2-hydroxyphenyl]diazenyl}-3-hydroxy-2-naphthamide",COc4ccc(cc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2O)S(=O)(=O)N(C)C)c3O)OC,COc4ccc(cc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2O)S(=O)(=O)N(C)C)c3O)OC,"InChI=1/C27H26N4O7S/c1-31(2)39(35,36)18-10-11-23(32)21(15-18)29-30-25-19-8-6-5-7-16(19)13-20(26(25)33)27(34)28-22-14-17(37-3)9-12-24(22)38-4/h5-15,32-33H,1-4H3,(H,28,34)",C27H26N4O7S,,,,,,JKQICSNERNXKPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.268,279-519-1,80632-53-7,Methyl a-cyano-1-cyclohexene-1-acetate,methyl cyano(cyclohex-1-en-1-yl)acetate,COC(=O)C(C#N)C1=CCCCC1,COC(=O)C(C#N)C1=CCCCC1,"InChI=1/C10H13NO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h5,9H,2-4,6H2,1H3",C10H13NO2,,,,,,PZHBBPQFEOOLQL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.273,279-524-9,80638-48-8,3-(4-hydroxy-3-methoxyphenyl)propionaldehyde,3-(4-hydroxy-3-methoxyphenyl)propanal,COc1cc(CCC=O)ccc1O,COc1cc(CCC=O)ccc1O,"InChI=1/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-7,12H,2-3H2,1H3",C10H12O3,,,,,,KIEATOGEYUWTSR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.275,279-527-5,80658-59-9,"2-bromo-2-nitropropane-1,3-diyl diformate","2-bromo-2-nitropropane-1,3-diyl diformate",[O-][N+](=O)C(Br)(COC=O)COC=O,[O-][N+](=O)C(Br)(COC=O)COC=O,"InChI=1/C5H6BrNO6/c6-5(7(10)11,1-12-3-8)2-13-4-9/h3-4H,1-2H2",C5H6BrNO6,,,,,,WOPMHJCAUNYZEV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.289,282-844-1,84434-45-7,"2-methyl-6-[(2-methylphenyl)azo]benzene-1,3-diamine","2-methyl-4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine",Cc2ccccc2N=Nc1ccc(N)c(C)c1N,Cc2ccccc2N=Nc1ccc(N)c(C)c1N,"InChI=1/C14H16N4/c1-9-5-3-4-6-12(9)17-18-13-8-7-11(15)10(2)14(13)16/h3-8H,15-16H2,1-2H3",C14H16N4,,,,,,MXALHDCUOQFPNY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.271,285-028-3,85005-98-7,"Disodium hydrogen 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","hydrogen disodium 4-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O,[H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O,"InChI=1/C20H20N4O13S3.2Na.H2/c1-11-9-14(15(36-2)10-16(11)38(28,29)8-7-37-40(33,34)35)21-22-17-18(20(26)27)23-24(19(17)25)12-3-5-13(6-4-12)39(30,31)32;;;/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;1H/q;3*+1/p-3",C20H20N4O13S3.2Na,,,,,,AHNAALUPKGWIBU-UHFFFAOYSA-L,,,,,,,,,,,
100.077.275,285-033-0,85006-02-6,"1-(2-hexyldecyl) dihydrogen benzene-1,2,4-tricarboxylate",4-{[(2-hexyldecyl)oxy]carbonyl}isophthalic acid,CCCCCCCCC(CCCCCC)COC(=O)c1ccc(cc1C(=O)O)C(=O)O,CCCCCCCCC(CCCCCC)COC(=O)c1ccc(cc1C(=O)O)C(=O)O,"InChI=1/C25H38O6/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)18-31-25(30)21-16-15-20(23(26)27)17-22(21)24(28)29/h15-17,19H,3-14,18H2,1-2H3,(H,26,27)(H,28,29)",C25H38O6,,,,,,JHHSPLUROVWAPW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.280,285-038-8,85006-08-2,o-tolyl 3-methylsalicylate,2-methylphenyl 2-hydroxy-3-methylbenzoate,Cc1ccccc1OC(=O)c2cccc(C)c2O,Cc1ccccc1OC(=O)c2cccc(C)c2O,"InChI=1/C15H14O3/c1-10-6-3-4-9-13(10)18-15(17)12-8-5-7-11(2)14(12)16/h3-9,16H,1-2H3",C15H14O3,,,,,,KFCUPCVFZAWPRP-UHFFFAOYSA-N,,,,,,,,,,,
100.077.281,285-039-3,85006-09-3,"2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate)","3-{[8-(3-octyloxiran-2-yl)octanoyl]oxy}-2,2-bis({[8-(3-octyloxiran-2-yl)octanoyl]oxy}methyl)propyl 8-(3-octyloxiran-2-yl)octanoate (non-preferred name)",CCCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC2OC2CCCCCCCC)(COC(=O)CCCCCCCC3OC3CCCCCCCC)COC(=O)CCCCCCCC4OC4CCCCCCCC,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC2OC2CCCCCCCC)(COC(=O)CCCCCCCC3OC3CCCCCCCC)COC(=O)CCCCCCCC4OC4CCCCCCCC,"InChI=1/C77H140O12/c1-5-9-13-17-25-37-49-65-69(86-65)53-41-29-21-33-45-57-73(78)82-61-77(62-83-74(79)58-46-34-22-30-42-54-70-66(87-70)50-38-26-18-14-10-6-2,63-84-75(80)59-47-35-23-31-43-55-71-67(88-71)51-39-27-19-15-11-7-3)64-85-76(81)60-48-36-24-32-44-56-72-68(89-72)52-40-28-20-16-12-8-4/h65-72H,5-64H2,1-4H3",C77H140O12,,,,,,SMUKNEHKVGPDGS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.282,285-040-9,85006-11-7,Bis[(2-hydroxyethyl)(2-hydroxytetradecyl)dimethylammonium] hydrogen phosphate,"bis[2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyltetradecan-1-aminium] hydrogen phosphate",CCCCCCCCCCCCC(O)C[N+](C)(C)CCO.CCCCCCCCCCCCC(O)C[N+](C)(C)CCO.[O-]P(=O)([O-])[O-],CCCCCCCCCCCCC(O)C[N+](C)(C)CCO.CCCCCCCCCCCCC(O)C[N+](C)(C)CCO.[O-]P(=O)([O-])[O-],"InChI=1/2C18H40NO2.H3O4P/c2*1-4-5-6-7-8-9-10-11-12-13-14-18(21)17-19(2,3)15-16-20;1-5(2,3)4/h2*18,20-21H,4-17H2,1-3H3;(H3,1,2,3,4)/q2*+1;/p-3",C18H40NO2.1/2HO4P,,,,,,WUXDHWTZIQJMSE-UHFFFAOYSA-K,,,,,,,,,,,
100.077.289,285-048-2,85006-19-5,16-methylheptadecyl pivalate,16-methylheptadecyl pivalate,CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C,CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C,"InChI=1/C23H46O2/c1-21(2)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-25-22(24)23(3,4)5/h21H,6-20H2,1-5H3",C23H46O2,,,,,,JSOVGYMVTPPEND-UHFFFAOYSA-N,,,,,,,,,,,
100.077.291,285-050-3,85006-21-9,2-chloro-5-methoxyanilinium chloride,2-chloro-5-methoxyanilinium chloride,[Cl-].COc1ccc(Cl)c([NH3+])c1,[Cl-].COc1ccc(Cl)c([NH3+])c1,"InChI=1/C7H8ClNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H",C7H8ClNO.ClH,,,,,,NQWBPXKJBZYGHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.297,285-057-1,85006-28-6,"N2,N6-bis[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-lysine, compound with dicyclohexylamine (1:1)","N~2~,N~6~-bis{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-lysine - N-cyclohexylcyclohexanamine (1:1)",CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H](NS(=O)(=O)c3cccc4c(cccc34)N(C)C)C(=O)O.C5CCC(CC5)NC6CCCCC6,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H](NS(=O)(=O)c3cccc4c(cccc34)N(C)C)C(=O)O.C5CCC(CC5)NC6CCCCC6,"InChI=1/C30H36N4O6S2.C12H23N/c1-33(2)26-16-7-13-23-21(26)11-9-18-28(23)41(37,38)31-20-6-5-15-25(30(35)36)32-42(39,40)29-19-10-12-22-24(29)14-8-17-27(22)34(3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-14,16-19,25,31-32H,5-6,15,20H2,1-4H3,(H,35,36);11-13H,1-10H2",C30H36N4O6S2.C12H23N,,,,,,FGXHBMJHPVSNRO-UQIIZPHYSA-N,,,,,,,,,,,
100.073.415,280-779-3,83781-02-6,"(1,5-dimethylhexyl)ammonium (1S)-2-oxobornane-10-sulphonate","6-methylheptan-2-aminium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",CC(C)CCCC(C)[NH3+].CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2,CC(C)CCCC(C)[NH3+].CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2,"InChI=1/C10H16O4S.C8H19N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-7(2)5-4-6-8(3)9/h7H,3-6H2,1-2H3,(H,12,13,14);7-8H,4-6,9H2,1-3H3",C10H16O4S.C8H19N,,,,,,IJUZWPVVLRFXDI-DLGLCQKISA-N,,,,,,,,,,,
100.073.418,280-783-5,83783-49-7,"1-(2,4-dichlorophenyl)cyclopropanecarbonyl chloride","1-(2,4-dichlorophenyl)cyclopropanecarbonyl chloride",ClC(=O)C1(CC1)c2ccc(Cl)cc2Cl,ClC(=O)C1(CC1)c2ccc(Cl)cc2Cl,"InChI=1/C10H7Cl3O/c11-6-1-2-7(8(12)5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2",C10H7Cl3O,,,,,,SSCVXWJUAAXOLL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.397,251-053-3,32449-92-6,Glucurolactone,"3,5,6-trihydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name)",O[C@H]2[C@H](O)O[C@@H]1C(O)C(=O)O[C@@H]12,O[C@H]2[C@H](O)O[C@@H]1C(O)C(=O)O[C@@H]12,"InChI=1/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H",C6H8O6,,,,,,OGLCQHRZUSEXNB-UAPNVWQMSA-N,,,,,,,,,,,
100.046.400,251-057-5,32451-95-9,(Z)-dodec-3-en-1-ol,dodec-3-en-1-ol,CCCCCCCC\\C=C/CCO,CCCCCCCC\C=C/CCO,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,13H,2-8,11-12H2,1H3",C12H24O,,,,,,BDGQTWOHKASHQU-KTKRTIGZSA-N,,,,,,,,,,,
100.046.410,251-068-5,32503-27-8,Tetrabutylammonium hydrogen sulphate,"N,N,N-tributylbutan-1-aminium hydrogen sulfate",CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-],CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-],"InChI=1/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C16H36N.HO4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18908,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.410,SHFJWMWCIHQNCP-UHFFFAOYSA-L,,,,,,,,,,,
100.046.413,251-071-1,32509-42-5,N-methyldecylamine hydrochloride,N-methyldecan-1-amine hydrochloride,Cl.CCCCCCCCCCNC,Cl.CCCCCCCCCCNC,"InChI=1/C11H25N.ClH/c1-3-4-5-6-7-8-9-10-11-12-2;/h12H,3-11H2,1-2H3;1H",C11H25N.ClH,,,,,,QYCBIOKOKSULOM-UHFFFAOYSA-N,,,,,,,,,,,
100.046.415,251-073-2,32509-66-3,"Ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate]","ethane-1,2-diyl bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate]",CC(C)(C)c1cc(ccc1O)C(C)(CC(=O)OCCOC(=O)CC(C)(c2ccc(O)c(c2)C(C)(C)C)c3ccc(O)c(c3)C(C)(C)C)c4ccc(O)c(c4)C(C)(C)C,CC(C)(C)c1cc(ccc1O)C(C)(CC(=O)OCCOC(=O)CC(C)(c2ccc(O)c(c2)C(C)(C)C)c3ccc(O)c(c3)C(C)(C)C)c4ccc(O)c(c4)C(C)(C)C,"InChI=1/C50H66O8/c1-45(2,3)35-25-31(15-19-39(35)51)49(13,32-16-20-40(52)36(26-32)46(4,5)6)29-43(55)57-23-24-58-44(56)30-50(14,33-17-21-41(53)37(27-33)47(7,8)9)34-18-22-42(54)38(28-34)48(10,11)12/h15-22,25-28,51-54H,23-24,29-30H2,1-14H3",C50H66O8,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7671,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.415,JOWXNCPELQZFHF-UHFFFAOYSA-N,,,,,,,,,,,
100.046.419,251-077-4,32516-05-5,"1,1'-(1,3,5,7-tetraazabicyclo[3.3.1]nonane-3,7-diyl)diethanone","3,7-diacetyl-1,3,5,7-tetraazabicyclo[3.3.1]nonane",CC(=O)N1CN2CN(CN(C2)C(=O)C)C1,CC(=O)N1CN2CN(CN(C2)C(=O)C)C1,"InChI=1/C9H16N4O2/c1-8(14)12-4-10-3-11(5-12)7-13(6-10)9(2)15/h3-7H2,1-2H3",C9H16N4O2,,,,,,BUPCSJIRCTYAHP-UHFFFAOYSA-N,,,,,,,,,,,
100.076.042,283-677-7,84696-71-9,"1,2,3-tris(2,2,6,6-tetramethyl-4-piperidyl) 4-tridecyl butane-1,2,3,4-tetracarboxylate","1,2,3-tris(2,2,6,6-tetramethylpiperidin-4-yl) 4-tridecyl butane-1,2,3,4-tetracarboxylate",CCCCCCCCCCCCCOC(=O)CC(C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC3CC(C)(C)NC(C)(C)C3,CCCCCCCCCCCCCOC(=O)CC(C(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC3CC(C)(C)NC(C)(C)C3,"InChI=1/C48H87N3O8/c1-14-15-16-17-18-19-20-21-22-23-24-25-56-39(52)26-37(41(54)58-35-30-45(6,7)50-46(8,9)31-35)38(42(55)59-36-32-47(10,11)51-48(12,13)33-36)27-40(53)57-34-28-43(2,3)49-44(4,5)29-34/h34-38,49-51H,14-33H2,1-13H3",C48H87N3O8,,,,,,AOQPXBOBUMGDLG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.043,283-678-2,84696-72-0,"1,2,3-tris(1,2,2,6,6-pentamethyl-4-piperidyl) 4-tridecyl butane-1,2,3,4-tetracarboxylate","1,2,3-tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-tridecyl butane-1,2,3,4-tetracarboxylate",CCCCCCCCCCCCCOC(=O)CC(C(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC3CC(C)(C)N(C)C(C)(C)C3,CCCCCCCCCCCCCOC(=O)CC(C(CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC3CC(C)(C)N(C)C(C)(C)C3,"InChI=1/C51H93N3O8/c1-17-18-19-20-21-22-23-24-25-26-27-28-59-42(55)29-40(44(57)61-38-33-48(6,7)53(15)49(8,9)34-38)41(45(58)62-39-35-50(10,11)54(16)51(12,13)36-39)30-43(56)60-37-31-46(2,3)52(14)47(4,5)32-37/h37-41H,17-36H2,1-16H3",C51H93N3O8,,,,,,CMTLRRXPGSGSFF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.457,257-721-0,52186-48-8,Aluminium diformate,-,[Al+3].[O-]C=O.[O-]C=O,[Al+3].[O-]C=O.[O-]C=O,"InChI=1/2CH2O2.Al/c2*2-1-3;/h2*1H,(H,2,3);/q;;+3/p-2",CH2O2.1/2Al,,,,,,AUTLLFCIBMIWMT-UHFFFAOYSA-L,,,,,,,,,,,
100.052.461,257-725-2,52188-20-2,"2-(3,3-diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane","2-(3,3-diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane",CCOC(OCC)C(C)CC1CC2CCC1C2,CCOC(OCC)C(C)CC1CC2CCC1C2,"InChI=1/C15H28O2/c1-4-16-15(17-5-2)11(3)8-14-10-12-6-7-13(14)9-12/h11-15H,4-10H2,1-3H3",C15H28O2,,,,,,UPJXPVPMJFMWGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.052.462,257-726-8,52188-21-3,"2-(3,3-dimethoxy-2-methylpropyl)bicyclo[2.2.1]heptane","2-(3,3-dimethoxy-2-methylpropyl)bicyclo[2.2.1]heptane",COC(OC)C(C)CC1CC2CCC1C2,COC(OC)C(C)CC1CC2CCC1C2,"InChI=1/C13H24O2/c1-9(13(14-2)15-3)6-12-8-10-4-5-11(12)7-10/h9-13H,4-8H2,1-3H3",C13H24O2,,,,,,GMILGRDTJSDNAF-UHFFFAOYSA-N,,,,,,,,,,,
100.052.463,257-727-3,52191-01-2,"1-(2,4-diethylphenyl)ethan-1-one","1-(2,4-diethylphenyl)ethanone",CCc1ccc(C(=O)C)c(CC)c1,CCc1ccc(C(=O)C)c(CC)c1,"InChI=1/C12H16O/c1-4-10-6-7-12(9(3)13)11(5-2)8-10/h6-8H,4-5H2,1-3H3",C12H16O,,,,,,DAMITWKYTRCTAO-UHFFFAOYSA-N,,,,,,,,,,,
100.052.464,257-728-9,52196-74-4,"2-chloro-1,4-diethoxybenzene","2-chloro-1,4-diethoxybenzene",CCOc1ccc(OCC)c(Cl)c1,CCOc1ccc(OCC)c(Cl)c1,"InChI=1/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3",C10H13ClO2,,,,,,ZIMKMIAIVORSSX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.146,282-687-9,84282-42-8,"2-[3,4-bis(acetoxy)phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl triacetate","2-(3,4-diacetoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triyl triacetate",CC(=O)OC1Cc2c(OC(=O)C)cc(OC(=O)C)cc2OC1c3ccc(OC(=O)C)c(OC(=O)C)c3,CC(=O)OC1Cc2c(OC(=O)C)cc(OC(=O)C)cc2OC1c3ccc(OC(=O)C)c(OC(=O)C)c3,"InChI=1/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3",C25H24O11,,,,,,BKYWAYNSDFXIPL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.148,282-690-5,84282-45-1,1-(1-methoxyisopropoxy)pent-2-yne,1-(1-methoxy-1-methylethoxy)pent-2-yne,CCC#CCOC(C)(C)OC,CCC#CCOC(C)(C)OC,"InChI=1/C9H16O2/c1-5-6-7-8-11-9(2,3)10-4/h5,8H2,1-4H3",C9H16O2,,,,,,JGTYVGDJHYHGRX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.152,282-694-7,84285-28-9,"3-[[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl]sulphonyl]-N-[5-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]benzenesulphonamide","3-{[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl]sulfonyl}-N-(5-hydroxy-8-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}-1-naphthyl)benzenesulfonamide",O=C5C(/C)=C(/C)C(=O)C(\\CCC)=C5\\C(CCCCCCCCCCCCC)S(=O)(=O)c1cccc(c1)S(=O)(=O)Nc4cccc3c4c(N=Nc2ccc(cc2S(C)(=O)=O)[N+]([O-])=O)ccc3O,O=C5C(/C)=C(/C)C(=O)C(\CCC)=C5\C(CCCCCCCCCCCCC)S(=O)(=O)c1cccc(c1)S(=O)(=O)Nc4cccc3c4c(N=Nc2ccc(cc2S(C)(=O)=O)[N+]([O-])=O)ccc3O,"InChI=1/C48H58N4O11S3/c1-6-8-9-10-11-12-13-14-15-16-17-25-43(46-38(20-7-2)47(54)32(3)33(4)48(46)55)65(60,61)35-21-18-22-36(31-35)66(62,63)51-41-24-19-23-37-42(53)29-28-40(45(37)41)50-49-39-27-26-34(52(56)57)30-44(39)64(5,58)59/h18-19,21-24,26-31,43,51,53H,6-17,20,25H2,1-5H3",C48H58N4O11S3,,,,,,CFCNSPRNIQVZPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.911,281-326-2,83929-31-1,1-chloro-4-[4-chloro-1-(4-fluorophenyl)-1-butenyl]benzene,1-chloro-4-[4-chloro-1-(4-fluorophenyl)but-1-en-1-yl]benzene,Clc1ccc(cc1)C(=CCCCl)c2ccc(F)cc2,Clc1ccc(cc1)C(=CCCCl)c2ccc(F)cc2,"InChI=1/C16H13Cl2F/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h2-10H,1,11H2",C16H13Cl2F,,,,,,KGGHMPJQVZWWES-UHFFFAOYSA-N,,,,,,,,,,,
100.073.916,281-332-5,83929-36-6,1-[(4-phenyl-4-piperidyl)carbonyl]pyrrolidine monohydrochloride,4-phenyl-4-(pyrrolidin-1-ylcarbonyl)piperidine hydrochloride,Cl.O=C(N1CCCC1)C2(CCNCC2)c3ccccc3,Cl.O=C(N1CCCC1)C2(CCNCC2)c3ccccc3,"InChI=1/C16H22N2O.ClH/c19-15(18-12-4-5-13-18)16(8-10-17-11-9-16)14-6-2-1-3-7-14;/h1-3,6-7,17H,4-5,8-13H2;1H",C16H22N2O.ClH,,,,,,FFGYTIDDYFLYCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.918,281-334-6,83929-38-8,Butyl 4-phenylpiperidine-4-carboxylate hydrochloride,butyl 4-phenylpiperidine-4-carboxylate hydrochloride,Cl.CCCCOC(=O)C1(CCNCC1)c2ccccc2,Cl.CCCCOC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C16H23NO2.ClH/c1-2-3-13-19-15(18)16(9-11-17-12-10-16)14-7-5-4-6-8-14;/h4-8,17H,2-3,9-13H2,1H3;1H",C16H23NO2.ClH,,,,,,IBTQOQAZUZFKOH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.923,281-340-9,83929-49-1,"Sodium hydrogen 4-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulphonate","sodium hydrogen 4-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].Nc1ccc(cc1)C(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc(cc1)C(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C17H14N2O8S2.Na/c18-11-3-1-9(2-4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14;/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27);/q;+1/p-2",C17H14N2O8S2.Na,,,,,,KTSRVZTVGARMSR-UHFFFAOYSA-L,,,,,,,,,,,
100.073.928,281-346-1,83929-54-8,"Tetrasodium 3,10-bis[(4-amino-3-sulphonatophenyl)amino]-6,13-dichlorotriphenodioxazine-4,11-disulphonate","tetrasodium 3,10-bis[(4-amino-3-sulfonatophenyl)amino]-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc1ccc(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7ccc(N)c(c7)S(=O)(=O)[O-])c6S(=O)(=O)[O-])N=C5C(=C4Oc3c2S(=O)(=O)[O-])Cl)Cl)cc1S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].Nc1ccc(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7ccc(N)c(c7)S(=O)(=O)[O-])c6S(=O)(=O)[O-])N=C5C(=C4Oc3c2S(=O)(=O)[O-])Cl)Cl)cc1S(=O)(=O)[O-],"InChI=1/C30H20Cl2N6O14S4.4Na/c31-21-24-28(52-26-16(38-24)6-8-18(30(26)56(48,49)50)36-12-2-4-14(34)20(10-12)54(42,43)44)22(32)23-27(21)51-25-15(37-23)5-7-17(29(25)55(45,46)47)35-11-1-3-13(33)19(9-11)53(39,40)41;;;;/h1-10,35-36H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",C30H20Cl2N6O14S4.4Na,,,,,,IEXLNWSCPBLKAR-UHFFFAOYSA-J,,,,,,,,,,,
100.073.933,281-351-9,83929-59-3,"Sodium 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulphonate","sodium 3-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulfonate",[Na+].Oc1cc(cc2c1ccc3nc(ccc23)C4C(=O)c5ccccc5C4=O)S(=O)(=O)[O-],[Na+].Oc1cc(cc2c1ccc3nc(ccc23)C4C(=O)c5ccccc5C4=O)S(=O)(=O)[O-],"InChI=1/C22H13NO6S.Na/c24-19-10-11(30(27,28)29)9-16-12-5-8-18(23-17(12)7-6-13(16)19)20-21(25)14-3-1-2-4-15(14)22(20)26;/h1-10,20,24H,(H,27,28,29);/q;+1/p-1",C22H13NO6S.Na,,,,,,ICFKTQYLWWHWGI-UHFFFAOYSA-M,,,,,,,,,,,
100.075.369,282-931-4,84473-77-8,3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde oxime,3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde oxime,ON=CC1C/C(=C\\CC1)CC\\C=C(/C)C,ON=CC1C/C(=C\CC1)CC\C=C(/C)C,"InChI=1/C13H21NO/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14-15/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3",C13H21NO,,,,,,QFZUHQAWVLNDNB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.277,279-529-6,80675-31-6,2-methyl-3-[(2-methyl-1-oxoallyl)amino]propanesulphonate,3-(methacryloylamino)-2-methylpropane-1-sulfonate,CC(CNC(=O)C(=C)C)CS(=O)(=O)[O-],CC(CNC(=O)C(=C)C)CS(=O)(=O)[O-],"InChI=1/C8H15NO4S/c1-6(2)8(10)9-4-7(3)5-14(11,12)13/h7H,1,4-5H2,2-3H3,(H,9,10)(H,11,12,13)/p-1",C8H15NO4S,,,,,,DZZPJONMESFAOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.072.279,279-531-7,80691-79-8,2-(a-methylbenzyl)acrylaldehyde,2-methylene-3-phenylbutanal,CC(C(=C)C=O)c1ccccc1,CC(C(=C)C=O)c1ccccc1,"InChI=1/C11H12O/c1-9(8-12)10(2)11-6-4-3-5-7-11/h3-8,10H,1H2,2H3",C11H12O,,,,,,XGDRYBAMXVBPEY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.282,279-534-3,80722-28-7,"2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one","2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one",CC1=CCC2(O1)C(=CC(=O)CC2(C)C)C,CC1=CCC2(O1)C(=CC(=O)CC2(C)C)C,"InChI=1/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,7H,6,8H2,1-4H3",C13H18O2,,,,,,PYBOFDINXIGETR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.283,279-535-9,80723-12-2,Bis[2-[2-(p-chlorophenoxy)-1-oxoethoxy]ethyl]methylammonium methanesulphonate,2-[2-(4-chlorophenoxy)acetoxy]-N-{2-[2-(4-chlorophenoxy)acetoxy]ethyl}-N-methylethanaminium methanesulfonate,C[NH+](CCOC(=O)COc1ccc(Cl)cc1)CCOC(=O)COc2ccc(Cl)cc2.CS(=O)(=O)[O-],C[NH+](CCOC(=O)COc1ccc(Cl)cc1)CCOC(=O)COc2ccc(Cl)cc2.CS(=O)(=O)[O-],"InChI=1/C21H23Cl2NO6.CH4O3S/c1-24(10-12-27-20(25)14-29-18-6-2-16(22)3-7-18)11-13-28-21(26)15-30-19-8-4-17(23)5-9-19;1-5(2,3)4/h2-9H,10-15H2,1H3;1H3,(H,2,3,4)",C21H23Cl2NO6.CH4O3S,,,,,,DWQYFAMXKBYGAA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.289,279-542-7,80769-52-4,"Methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate","methyl [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate",COC(=O)Cc1cc(C)c(C(=O)c2ccc(Cl)cc2)n1C,COC(=O)Cc1cc(C)c(C(=O)c2ccc(Cl)cc2)n1C,"InChI=1/C16H16ClNO3/c1-10-8-13(9-14(19)21-3)18(2)15(10)16(20)11-4-6-12(17)7-5-11/h4-8H,9H2,1-3H3",C16H16ClNO3,,,,,,YAYWCDAUKRECGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.734,281-132-8,83863-67-6,"1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one","1-{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}-3-isopropenyl-1,3-dihydro-2H-benzimidazol-2-one",CC(=C)N1C(=O)N(CCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c5ccccc15,CC(=C)N1C(=O)N(CCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c5ccccc15,"InChI=1/C30H34N4O/c1-24(2)34-28-17-10-9-16-27(28)33(30(34)35)19-11-18-31-20-22-32(23-21-31)29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-10,12-17,29H,1,11,18-23H2,2H3",C30H34N4O,,,,,,ZWSPGJJMVIEYKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.735,281-133-3,83863-68-7,trans-(-)-3-methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid,3-methyl-1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid,C[C@H]1CN(CC[C@@]1(C(=O)O)c2ccccc2)S(=O)(=O)c3ccc(C)cc3,C[C@H]1CN(CC[C@@]1(C(=O)O)c2ccccc2)S(=O)(=O)c3ccc(C)cc3,"InChI=1/C20H23NO4S/c1-15-8-10-18(11-9-15)26(24,25)21-13-12-20(19(22)23,16(2)14-21)17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H,22,23)",C20H23NO4S,,,,,,VKTWPLWQOOMXID-JXFKEZNVSA-N,,,,,,,,,,,
100.073.737,281-135-4,83863-70-1,Ethyl cis-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidine-1-carboxylate,ethyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidine-1-carboxylate,CCOC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)c(N)cc2OC)[C@H](C1)OC,CCOC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)c(N)cc2OC)[C@H](C1)OC,"InChI=1/C17H24ClN3O5/c1-4-26-17(23)21-6-5-13(15(9-21)25-3)20-16(22)10-7-11(18)12(19)8-14(10)24-2/h7-8,13,15H,4-6,9,19H2,1-3H3,(H,20,22)",C17H24ClN3O5,,,,,,VRLUWZOUAURBSK-HIFRSBDPSA-N,,,,,,,,,,,
100.073.741,281-140-1,83863-74-5,3-carboxy-1-methyl-1H-pyrrole-2-acetic acid,2-(carboxymethyl)-1-methyl-1H-pyrrole-3-carboxylic acid,Cn1ccc(C(=O)O)c1CC(=O)O,Cn1ccc(C(=O)O)c1CC(=O)O,"InChI=1/C8H9NO4/c1-9-3-2-5(8(12)13)6(9)4-7(10)11/h2-3H,4H2,1H3,(H,10,11)(H,12,13)",C8H9NO4,,,,,,HCEANTQTOYOMSH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.743,281-142-2,83863-76-7,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidyl decanoate hydrochloride,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl decanoate hydrochloride,Cl.CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,Cl.CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,"InChI=1/C31H41ClFNO3.ClH/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25;/h12-19H,2-11,20-24H2,1H3;1H",C31H41ClFNO3.ClH,,,,,,SLUOSCSHTFTUDS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.375,282-938-2,84473-83-6,1-chloro-3-fluoro-2-(trichloromethyl)benzene,1-chloro-3-fluoro-2-(trichloromethyl)benzene,Fc1cccc(Cl)c1C(Cl)(Cl)Cl,Fc1cccc(Cl)c1C(Cl)(Cl)Cl,"InChI=1/C7H3Cl4F/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H",C7H3Cl4F,,,,,,PNAGDDZKFJHOOK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.384,282-948-7,84488-77-7,(S)-2-hydrazino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropionic acid,2-hydrazino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid,COc1cc(C[C@](C)(NN)C(=O)O)ccc1O,COc1cc(C[C@](C)(NN)C(=O)O)ccc1O,"InChI=1/C11H16N2O4/c1-11(13-12,10(15)16)6-7-3-4-8(14)9(5-7)17-2/h3-5,13-14H,6,12H2,1-2H3,(H,15,16)",C11H16N2O4,,,,,,CZEXQBQCMOVXGP-NSHDSACASA-N,,,,,,,,,,,
100.075.385,282-949-2,84498-20-4,1-(2-hydroxy-4-methylphenyl)octan-1-one oxime,1-(2-hydroxy-4-methylphenyl)octan-1-one oxime,Oc1cc(C)ccc1C(=NO)CCCCCCC,Oc1cc(C)ccc1C(=NO)CCCCCCC,"InChI=1/C15H23NO2/c1-3-4-5-6-7-8-14(16-18)13-10-9-12(2)11-15(13)17/h9-11,17-18H,3-8H2,1-2H3",C15H23NO2,,,,,,OSYXKQUUNLQJRR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.430,280-796-6,83783-61-3,"2-[2-[(3-ethyl-5-methylbenzoselenazol-2(3H)-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium","3-(2-{2-[(3-ethyl-5-methyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC,"InChI=1/C27H32N2O3S2Se/c1-6-21(17-27-28(7-2)23-13-18(3)9-10-25(23)35-27)16-26-29(11-8-12-34(30,31)32)22-14-19(4)20(5)15-24(22)33-26/h9-10,13-17H,6-8,11-12H2,1-5H3",C27H32N2O3S2Se,,,,,,VUNAOGLHAINCEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.434,280-800-6,83783-66-8,Ethyl N-(ethoxycarbonyl)-N-(3-ethoxy-3-oxopropyl)-ß-alaninate,"diethyl 3,3'-[(ethoxycarbonyl)imino]dipropanoate (non-preferred name)",CCOC(=O)CCN(CCC(=O)OCC)C(=O)OCC,CCOC(=O)CCN(CCC(=O)OCC)C(=O)OCC,"InChI=1/C13H23NO6/c1-4-18-11(15)7-9-14(13(17)20-6-3)10-8-12(16)19-5-2/h4-10H2,1-3H3",C13H23NO6,,,,,,DOSKWSBUTUXZAA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.438,280-804-8,83783-70-4,Propyl 4-phenylpiperidine-4-carboxylate hydrochloride,propyl 4-phenylpiperidine-4-carboxylate hydrochloride,Cl.CCCOC(=O)C1(CCNCC1)c2ccccc2,Cl.CCCOC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C15H21NO2.ClH/c1-2-12-18-14(17)15(8-10-16-11-9-15)13-6-4-3-5-7-13;/h3-7,16H,2,8-12H2,1H3;1H",C15H21NO2.ClH,,,,,,TXTNFLDANUDPRK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.439,280-805-3,83783-71-5,3-[[1-(phenylmethyl)-4-piperidyl]amino]propiononitrile,3-[(1-benzylpiperidin-4-yl)amino]propanenitrile,N#CCCNC1CCN(Cc2ccccc2)CC1,N#CCCNC1CCN(Cc2ccccc2)CC1,"InChI=1/C15H21N3/c16-9-4-10-17-15-7-11-18(12-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-8,10-13H2",C15H21N3,,,,,,VVCSAMZZQCPYFB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.441,280-807-4,83783-73-7,N-[(4-phenylpiperidin-4-yl)methyl]propionamide,N-[(4-phenylpiperidin-4-yl)methyl]propanamide,CCC(=O)NCC1(CCNCC1)c2ccccc2,CCC(=O)NCC1(CCNCC1)c2ccccc2,"InChI=1/C15H22N2O/c1-2-14(18)17-12-15(8-10-16-11-9-15)13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3,(H,17,18)",C15H22N2O,,,,,,IEYZMSATIKDYOF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.450,280-817-9,83783-83-9,3-methyl-3-butenyl 2-methylisocrotonate,3-methylbut-3-en-1-yl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OCCC(=C)C,C\C=C(\C)/C(=O)OCCC(=C)C,"InChI=1/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5H,2,6-7H2,1,3-4H3",C10H16O2,,,,,,LMPCYQLIAVCCCL-UITAMQMPSA-N,,,,,,,,,,,
100.072.197,279-441-8,80285-16-1,"4-(5-propyl-1,3-dioxan-2-yl)benzonitrile","4-(5-propyl-1,3-dioxan-2-yl)benzonitrile",CCCC1COC(OC1)c2ccc(cc2)C#N,CCCC1COC(OC1)c2ccc(cc2)C#N,"InChI=1/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3",C14H17NO2,,,,,,GQPFCPRCGONDNN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.200,279-444-4,80294-29-7,"2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[[4-chloro-6-[(3-chloro-4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-3-[[2-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt",-,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccccc1S(=O)(=O)CCOS(O)(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Nc5ccc(C)c(Cl)c5)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccccc1S(=O)(=O)CCOS(O)(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Nc5ccc(C)c(Cl)c5)n6,"InChI=1/C34H28Cl2N10O16S5.4Na/c1-16-6-7-18(14-20(16)35)38-33-40-32(36)41-34(42-33)39-19-8-9-24(64(50,51)52)22(15-19)44-46-30-26(66(56,57)58)13-17-12-25(65(53,54)55)29(28(37)27(17)31(30)47)45-43-21-4-2-3-5-23(21)63(48,49)11-10-62-67(59,60)61;;;;/h2-9,12-15,47H,10-11,37H2,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H2,38,39,40,41,42);;;;/q;4*+1/p-3",C34H28Cl2N10O16S5.4Na,,,,,,QIOZADQXFJCGOU-UHFFFAOYSA-K,,,,,,,,,,,
100.072.203,279-448-6,80303-93-1,2-[(pentachlorophenyl)dithio]ethanol,2-[(pentachlorophenyl)disulfanyl]ethanol,OCCSSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,OCCSSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C8H5Cl5OS2/c9-3-4(10)6(12)8(7(13)5(3)11)16-15-2-1-14/h14H,1-2H2",C8H5Cl5OS2,,,,,,WNDIXJLBXHYTBK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.211,279-457-5,80407-53-0,"1,2-dihydro-1-(m-hydroxyphenyl)-5H-tetrazole-5-thione","1-(3-hydroxyphenyl)-1,2-dihydro-5H-tetrazole-5-thione",Oc1cccc(c1)N2NN=NC2=S,Oc1cccc(c1)N2NN=NC2=S,"InChI=1/C7H6N4OS/c12-6-3-1-2-5(4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)",C7H6N4OS,,,,,,MBTOSMSBNFLZQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.226,279-473-2,80445-29-0,"2,4-dichloro-3-[(1-methylethylidene)amino]phenol hydrochloride","2,4-dichloro-3-(isopropylideneamino)phenol hydrochloride",Cl.CC(=Nc1c(Cl)ccc(O)c1Cl)C,Cl.CC(=Nc1c(Cl)ccc(O)c1Cl)C,"InChI=1/C9H9Cl2NO.ClH/c1-5(2)12-9-6(10)3-4-7(13)8(9)11;/h3-4,13H,1-2H3;1H",C9H9Cl2NO.ClH,,,,,,JEVUAWDMHOZTLE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.290,282-845-7,84434-46-8,"3-(o-tolylazo)toluene-2,6-diamine monoacetate","2-methyl-4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine acetate",CC(O)=O.Cc2ccccc2N=Nc1ccc(N)c(C)c1N,CC(O)=O.Cc2ccccc2N=Nc1ccc(N)c(C)c1N,"InChI=1/C14H16N4.C2H4O2/c1-9-5-3-4-6-12(9)17-18-13-8-7-11(15)10(2)14(13)16;1-2(3)4/h3-8H,15-16H2,1-2H3;1H3,(H,3,4)",C14H16N4.C2H4O2,,,,,,UKOFMOZTJCVLDC-UHFFFAOYSA-N,,,,,,,,,,,
100.052.466,257-731-5,52202-90-1,Calcium dihydrogen bis[4-[(4-chloro-6-sulphonato-m-tolyl)azo]-3-hydroxy-2-naphthoate],calcium dihydrogen bis{4-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate},[H+].[H+].[Ca+2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O.[O-]C(=O)c3cc1ccccc1c(N=Nc2cc(C)c(Cl)cc2S([O-])(=O)=O)c3O,[H+].[H+].[Ca+2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O.[O-]C(=O)c3cc1ccccc1c(N=Nc2cc(C)c(Cl)cc2S([O-])(=O)=O)c3O,"InChI=1/2C18H13ClN2O6S.Ca.2H2/c2*1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;;/h2*2-8,22H,1H3,(H,23,24)(H,25,26,27);;2*1H/q;;+2;2*+1/p-4",C18H13ClN2O6S.1/2Ca,,,,,,MGPKPANYASGNOR-UHFFFAOYSA-L,,,,,,,,,,,
100.052.467,257-732-0,52204-07-6,"Disodium 4-amino-3-[[4-[[4-[(2,4-diaminophenyl)azo]phenyl]sulphonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-{[4-({4-[(2,4-diaminophenyl)diazenyl]phenyl}sulfonyl)phenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)c6,[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)c6,"InChI=1/C34H27N9O9S3.2Na/c35-20-6-15-27(26(36)18-20)41-38-22-7-11-24(12-8-22)53(45,46)25-13-9-23(10-14-25)40-42-32-28(54(47,48)49)16-19-17-29(55(50,51)52)33(34(44)30(19)31(32)37)43-39-21-4-2-1-3-5-21;;/h1-18,44H,35-37H2,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C34H27N9O9S3.2Na,,,,,,ARJJUUGHVCQXMY-UHFFFAOYSA-L,,,,,,,,,,,
100.052.468,257-733-6,52204-19-0,"2-amino-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione","2-amino-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione",NN1C(=O)c2ccc3Sc4ccccc4c5ccc(C1=O)c2c35,NN1C(=O)c2ccc3Sc4ccccc4c5ccc(C1=O)c2c35,"InChI=1/C18H10N2O2S/c19-20-17(21)11-6-5-10-9-3-1-2-4-13(9)23-14-8-7-12(18(20)22)15(11)16(10)14/h1-8H,19H2",C18H10N2O2S,,,,,,BSICVDWEIBOGJV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.469,257-734-1,52204-35-0,"1-amino-4-[[4-[[3-[(2-chloroethyl)sulphonyl]benzoyl]methylamino]-2-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-({4-[{3-[(2-chloroethyl)sulfonyl]benzoyl}(methyl)amino]-2-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CN(C(=O)c1cccc(c1)S(=O)(=O)CCCl)c2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)c(c2)S(=O)(=O)O,CN(C(=O)c1cccc(c1)S(=O)(=O)CCCl)c2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)c(c2)S(=O)(=O)O,"InChI=1/C30H24ClN3O11S3/c1-34(30(37)16-5-4-6-18(13-16)46(38,39)12-11-31)17-9-10-21(23(14-17)47(40,41)42)33-22-15-24(48(43,44)45)27(32)26-25(22)28(35)19-7-2-3-8-20(19)29(26)36/h2-10,13-15,33H,11-12,32H2,1H3,(H,40,41,42)(H,43,44,45)",C30H24ClN3O11S3,,,,,,QJHFNCUSHWKNEV-UHFFFAOYSA-N,,,,,,,,,,,
100.052.472,257-737-8,52207-99-5,"(Z,Z)-hexadeca-7,11-dienyl acetate","hexadeca-7,11-dien-1-yl acetate",CCCC\\C=C/CC\\C=C/CCCCCCOC(=O)C,CCCC\C=C/CC\C=C/CCCCCCOC(=O)C,"InChI=1/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3",C18H32O2,,,,,,BXJHOKLLMOYSRQ-QOXWLJPHSA-N,,,,,,,,,,,
100.052.474,257-739-9,52211-63-9,(3R-cis)-1-(6-methoxy-4-quinolyl)-3-(3-vinyl-4-piperidyl)propan-1-one monohydrochloride,1-(6-methoxyquinolin-4-yl)-3-(3-vinylpiperidin-4-yl)propan-1-one hydrochloride,Cl.COc1ccc2nccc(C(=O)CCC3CCNCC3C=C)c2c1,Cl.COc1ccc2nccc(C(=O)CCC3CCNCC3C=C)c2c1,"InChI=1/C20H24N2O2.ClH/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19;/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3;1H",C20H24N2O2.ClH,,,,,,YUBRJAHSRSIPKX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.475,257-740-4,52212-02-9,"4,4'-[(2ß,3a,5a,16ß,17ß)-3,17-bis(acetoxy)androstane-2,16-diyl]bis[1,1-dimethylpiperazinium] dibromide","3,17-diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane dibromide",[Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)N5CC[N+](C)(C)CC5)[C@@]2(C)C[C@@H]1N6CC[N+](C)(C)CC6,[Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)N5CC[N+](C)(C)CC5)[C@@]2(C)C[C@@H]1N6CC[N+](C)(C)CC6,"InChI=1/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2",C35H62N4O4.2Br,,,,,,TXWBOBJCRVVBJF-YTGGZNJNSA-L,,,,,,,,,,,
100.052.478,257-744-6,52214-84-3,Ciprofibrate,"2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid",CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O,CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O,"InChI=1/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)",C13H14Cl2O3,,,,,,KPSRODZRAIWAKH-UHFFFAOYSA-N,,,,,,,,,,,
100.052.482,257-748-8,52217-53-5,"Octane-1,8-diylbis[trichlorosilane]","octane-1,8-diylbis(trichlorosilane)",Cl[Si](Cl)(Cl)CCCCCCCC[Si](Cl)(Cl)Cl,Cl[Si](Cl)(Cl)CCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C8H16Cl6Si2/c9-15(10,11)7-5-3-1-2-4-6-8-16(12,13)14/h1-8H2",C8H16Cl6Si2,,,,,,GFJGILDCJZMQTN-UHFFFAOYSA-N,,,,,,,,,,,
100.052.484,257-750-9,52218-35-6,2-[(6-amino-2-naphthyl)sulphonyl]ethanol,2-[(6-amino-2-naphthyl)sulfonyl]ethanol,Nc1ccc2cc(ccc2c1)S(=O)(=O)CCO,Nc1ccc2cc(ccc2c1)S(=O)(=O)CCO,"InChI=1/C12H13NO3S/c13-11-3-1-10-8-12(4-2-9(10)7-11)17(15,16)6-5-14/h1-4,7-8,14H,5-6,13H2",C12H13NO3S,,,,,,KJADNHVFXWOWKM-UHFFFAOYSA-N,,,,,,,,,,,
100.052.485,257-751-4,52221-06-4,Isopropyl hydrogen adipate,6-isopropoxy-6-oxohexanoic acid,CC(C)OC(=O)CCCCC(=O)O,CC(C)OC(=O)CCCCC(=O)O,"InChI=1/C9H16O4/c1-7(2)13-9(12)6-4-3-5-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)",C9H16O4,,,,,,BRPCDOLEVHTTRE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.371,282-934-0,84473-79-0,Ethyl 3-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]oxirane-2-carboxylate,ethyl 3-[4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]oxirane-2-carboxylate,CCOC(=O)C1OC1C2CCC(=CC2)CCC=C(C)C,CCOC(=O)C1OC1C2CCC(=CC2)CCC=C(C)C,"InChI=1/C17H26O3/c1-4-19-17(18)16-15(20-16)14-10-8-13(9-11-14)7-5-6-12(2)3/h6,8,14-16H,4-5,7,9-11H2,1-3H3",C17H26O3,,,,,,PVRRNOXJDZFUFX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.373,282-936-1,84473-81-4,"3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride","3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride",CC1(C)C2CC(C=C2)C1C(=O)Cl,CC1(C)C2CC(C=C2)C1C(=O)Cl,"InChI=1/C10H13ClO/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h3-4,6-8H,5H2,1-2H3",C10H13ClO,,,,,,XUCYGPULSFEFCE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.886,284-605-7,84946-03-2,"Stearic acid, compound with guanidine",octadecanoic acid - guanidine (1:1),CCCCCCCCCCCCCCCCCC(=O)O.NC(=N)N,CCCCCCCCCCCCCCCCCC(=O)O.NC(=N)N,"InChI=1/C18H36O2.CH5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h2-17H2,1H3,(H,19,20);(H5,2,3,4)",C18H36O2.xCH5N3,,,,,,NDRMWPVNHDJUCA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.891,284-610-4,84946-08-7,"1,7,7-trimethyl-2-(phenylmethylene)bicyclo[2.2.1]heptane","2-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptane",CC3(C)C1CCC3(C)C(C1)=Cc2ccccc2,CC3(C)C1CCC3(C)C(C1)=Cc2ccccc2,"InChI=1/C17H22/c1-16(2)14-9-10-17(16,3)15(12-14)11-13-7-5-4-6-8-13/h4-8,11,14H,9-10,12H2,1-3H3",C17H22,,,,,,RYXWZYBOJQPCIP-UHFFFAOYSA-N,,,,,,,,,,,
100.076.898,284-618-8,84946-15-6,3-(4-fluorophenoxy)propionaldehyde,3-(4-fluorophenoxy)propanal,Fc1ccc(OCCC=O)cc1,Fc1ccc(OCCC=O)cc1,"InChI=1/C9H9FO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-6H,1,7H2",C9H9FO2,,,,,,JUKZPSFOMPCDJN-UHFFFAOYSA-N,,,,,,,,,,,
100.076.905,284-626-1,84946-22-5,4-fluorophenyl 1-(2-isothiocyanatoethyl)piperidin-4-yl ketone,(4-fluorophenyl)[1-(2-isothiocyanatoethyl)piperidin-4-yl]methanone,Fc1ccc(cc1)C(=O)C2CCN(CCN=C=S)CC2,Fc1ccc(cc1)C(=O)C2CCN(CCN=C=S)CC2,"InChI=1/C15H17FN2OS/c16-14-3-1-12(2-4-14)15(19)13-5-8-18(9-6-13)10-7-17-11-20/h1-4,13H,5-10H2",C15H17FN2OS,,,,,,OLRWWWTWDHELJX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.006,279-231-6,79673-54-4,"1,4-dimethyl-1H-pyrrole-2-acetic acid","(1,4-dimethyl-1H-pyrrol-2-yl)acetic acid",Cc1cc(CC(=O)O)n(C)c1,Cc1cc(CC(=O)O)n(C)c1,"InChI=1/C8H11NO2/c1-6-3-7(4-8(10)11)9(2)5-6/h3,5H,4H2,1-2H3,(H,10,11)",C8H11NO2,,,,,,JYLBSWKLEBNIFH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.008,279-233-7,79682-32-9,"Hydrogen 9-[(3-methoxyphenyl)amino]-7-phenyl-5-(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with N,N'-bis(m-tolyl)guanidine (1:1)","hydrogen 5-anilino-9-[(3-methoxyphenyl)amino]-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate 1,3-bis(3-methylphenyl)guanidine (1:1)",COc1cccc(Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-])c1.Cc8cccc(NC(=N)Nc9cccc(C)c9)c8,COc1cccc(Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-])c1.Cc8cccc(NC(=N)Nc9cccc(C)c9)c8,"InChI=1/C35H26N4O7S2.C15H17N3/c1-46-25-15-8-12-23(18-25)37-28-19-30-27(21-33(28)48(43,44)45)38-35-26-16-9-17-32(47(40,41)42)34(26)29(36-22-10-4-2-5-11-22)20-31(35)39(30)24-13-6-3-7-14-24;1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h2-21H,1H3,(H3,36,37,40,41,42,43,44,45);3-10H,1-2H3,(H3,16,17,18)/p-1",C35H26N4O7S2.C15H17N3,,,,,,XDJFPQWBVMCPSL-UHFFFAOYSA-M,,,,,,,,,,,
100.072.009,279-234-2,79682-33-0,"4-[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo]-4'-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4-({1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-4'-({1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-2,2'-disulfonic acid",O=C(Nc1ccc(C)cc1C)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2C)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)C(C)=O,O=C(Nc1ccc(C)cc1C)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2C)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)C(C)=O,"InChI=1/C35H34N6O10S2/c1-19-10-15-29(21(3)16-19)37-35(45)33(23(5)43)41-39-25-12-14-27(31(18-25)53(49,50)51)26-13-11-24(17-30(26)52(46,47)48)38-40-32(22(4)42)34(44)36-28-9-7-6-8-20(28)2/h6-18,32-33H,1-5H3,(H,36,44)(H,37,45)(H,46,47,48)(H,49,50,51)",C35H34N6O10S2,,,,,,MMEPVQGSGDDTRS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.022,279-248-9,79728-78-2,"N,N'-(dimethylsilylene)bis[N-ethylacetamide]","N,N'-(dimethylsilanediyl)bis(N-ethylacetamide)",CCN(C(=O)C)[Si](C)(C)N(CC)C(=O)C,CCN(C(=O)C)[Si](C)(C)N(CC)C(=O)C,"InChI=1/C10H22N2O2Si/c1-7-11(9(3)13)15(5,6)12(8-2)10(4)14/h7-8H2,1-6H3",C10H22N2O2Si,,,,,,MYADPEFFMQPOQC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.030,279-257-8,79771-30-5,"2-[4-[2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]vinyl]phenoxy]ethanol","2-(4-{2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]vinyl}phenoxy)ethanol",OCCOc1ccc(\\C=C\\c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)cc1,OCCOc1ccc(\C=C\c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)cc1,"InChI=1/C15H11Cl6N3O2/c16-14(17,18)12-22-11(23-13(24-12)15(19,20)21)6-3-9-1-4-10(5-2-9)26-8-7-25/h1-6,25H,7-8H2",C15H11Cl6N3O2,,,,,,DYNCQGWLQDAERY-ZZXKWVIFSA-N,,,,,,,,,,,
100.072.034,279-262-5,79784-17-1,"1,3-dihydro-6-methyl-4-(morpholinobenzyl)furo[3,4-c]pyridin-7-ol","6-methyl-4-(2-morpholin-4-ylbenzyl)-1,3-dihydrofuro[3,4-c]pyridin-7-ol",Cc1nc(Cc2ccccc2N3CCOCC3)c4COCc4c1O,Cc1nc(Cc2ccccc2N3CCOCC3)c4COCc4c1O,"InChI=1/C19H22N2O3/c1-13-19(22)16-12-24-11-15(16)17(20-13)10-14-4-2-3-5-18(14)21-6-8-23-9-7-21/h2-5,22H,6-12H2,1H3",C19H22N2O3,,,,,,MFTJWNHDXBVQFO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.502,284-182-9,84803-56-5,4-(2-methoxyethyl)aniline,4-(2-methoxyethyl)aniline,COCCc1ccc(N)cc1,COCCc1ccc(N)cc1,"InChI=1/C9H13NO/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5H,6-7,10H2,1H3",C9H13NO,,,,,,LGBFKALRQPQBJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.515,284-197-0,84803-69-0,N-[2-(dimethylamino)ethyl]-N-methyldodecanamide,N-[2-(dimethylamino)ethyl]-N-methyldodecanamide,CCCCCCCCCCCC(=O)N(C)CCN(C)C,CCCCCCCCCCCC(=O)N(C)CCN(C)C,"InChI=1/C17H36N2O/c1-5-6-7-8-9-10-11-12-13-14-17(20)19(4)16-15-18(2)3/h5-16H2,1-4H3",C17H36N2O,,,,,,ILIRVVGOYSSENU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.531,284-214-1,84812-70-4,4-allyl-2-methoxyphenyl 2-methyl-2-butenoate,4-allyl-2-methoxyphenyl 2-methylbut-2-enoate,COc1cc(ccc1OC(=O)C(C)=CC)CC=C,COc1cc(ccc1OC(=O)C(C)=CC)CC=C,"InChI=1/C15H18O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5-6,8-10H,1,7H2,2-4H3",C15H18O3,,,,,,XRBFCTNRJMOUMF-UHFFFAOYSA-N,,,,,,,,,,,
100.076.533,284-216-2,84812-72-6,4-(3-oxobutyl)phenyl 2-methylcrotonate,4-(3-oxobutyl)phenyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)Oc1ccc(CCC(=O)C)cc1,C\C=C(/C)\C(=O)Oc1ccc(CCC(=O)C)cc1,"InChI=1/C15H18O3/c1-4-11(2)15(17)18-14-9-7-13(8-10-14)6-5-12(3)16/h4,7-10H,5-6H2,1-3H3",C15H18O3,,,,,,PZTWELMXXHYEFC-NYYWCZLTSA-N,,,,,,,,,,,
100.073.527,280-903-6,83803-83-2,2-methoxy-2-methylhept-4-yn-3-ol,2-methoxy-2-methylhept-4-yn-3-ol,CCC#CC(O)C(C)(C)OC,CCC#CC(O)C(C)(C)OC,"InChI=1/C9H16O2/c1-5-6-7-8(10)9(2,3)11-4/h8,10H,5H2,1-4H3",C9H16O2,,,,,,SLBALKXWOFELQN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.530,280-906-2,83803-86-5,"o-tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","2-methylphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Cc1ccccc1OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23,Cc1ccccc1OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23,"InChI=1/C17H12N2O4S/c1-11-5-2-3-7-15(11)23-24(21,22)16-8-4-6-13-12(16)9-10-14(19-18)17(13)20/h2-10H,1H3",C17H12N2O4S,,,,,,GHZGGNMYGQMYFH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.536,280-913-0,83803-92-3,[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl] (4-methylphenyl) ketone hydrochloride,{4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl}(4-methylphenyl)methanone hydrochloride,Cl.CN(C)CCOc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,Cl.CN(C)CCOc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,"InChI=1/C18H21NO3.ClH/c1-13-4-6-14(7-5-13)18(21)16-9-8-15(12-17(16)20)22-11-10-19(2)3;/h4-9,12,20H,10-11H2,1-3H3;1H",C18H21NO3.ClH,,,,,,AMQCNBFKHKJOIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.541,280-918-8,83803-97-8,2'-(4-methylbenzoyl)-1-naphthohydrazide,N'-(4-methylbenzoyl)-1-naphthohydrazide,Cc1ccc(cc1)C(=O)NNC(=O)c2cccc3ccccc23,Cc1ccc(cc1)C(=O)NNC(=O)c2cccc3ccccc23,"InChI=1/C19H16N2O2/c1-13-9-11-15(12-10-13)18(22)20-21-19(23)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,20,22)(H,21,23)",C19H16N2O2,,,,,,FMSOLSNSLBVFBF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.318,279-574-1,80822-87-3,5-amino-2-dodecylbenzenesulphonic acid,5-amino-2-dodecylbenzenesulfonic acid,CCCCCCCCCCCCc1ccc(N)cc1S(=O)(=O)O,CCCCCCCCCCCCc1ccc(N)cc1S(=O)(=O)O,"InChI=1/C18H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)23(20,21)22/h13-15H,2-12,19H2,1H3,(H,20,21,22)",C18H31NO3S,,,,,,BGUREQRVHBTMGK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.321,279-577-8,80866-74-6,"5,6,11,12-tetrahydrodibenz[b,f]azocinium chloride","5,6,11,12-tetrahydrodibenzo[b,f]azocinium chloride",[Cl-].C1Cc2ccccc2[NH2+]Cc3ccccc13,[Cl-].C1Cc2ccccc2[NH2+]Cc3ccccc13,"InChI=1/C15H15N.ClH/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1;/h1-8,16H,9-11H2;1H",C15H15N.ClH,,,,,,UOKRHEQKLWSMMM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.324,279-580-4,80866-77-9,2-chloro-6-nitroanisole,1-chloro-2-methoxy-3-nitrobenzene,COc1c(Cl)cccc1[N+](=O)[O-],COc1c(Cl)cccc1[N+](=O)[O-],"InChI=1/C7H6ClNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3",C7H6ClNO3,,,,,,MSBUQNLLSANFDL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.330,279-587-2,80866-83-7,2-phenylpropyl butyrate,2-phenylpropyl butyrate,CCCC(=O)OCC(C)c1ccccc1,CCCC(=O)OCC(C)c1ccccc1,"InChI=1/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3",C13H18O2,,,,,,SKLXPNZDCBPHCS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.332,279-589-3,80866-85-9,4-bromo-4-phenylpiperidinium bromide,4-bromo-4-phenylpiperidinium bromide,[Br-].BrC1(CC[NH2+]CC1)c2ccccc2,[Br-].BrC1(CC[NH2+]CC1)c2ccccc2,"InChI=1/C11H14BrN.BrH/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10;/h1-5,13H,6-9H2;1H",C11H14BrN.BrH,,,,,,ROVFPVLWAFHGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.339,279-597-7,80866-94-0,"2-methyl-3,5-dinitrobenzyl alcohol","(2-methyl-3,5-dinitrophenyl)methanol",Cc1c(CO)cc(cc1[N+](=O)[O-])[N+](=O)[O-],Cc1c(CO)cc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C8H8N2O5/c1-5-6(4-11)2-7(9(12)13)3-8(5)10(14)15/h2-3,11H,4H2,1H3",C8H8N2O5,,,,,,HLBXFLNVFJFEKD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.421,282-989-0,84501-69-9,4-bromo-4-(4-chlorophenyl)piperidinium bromide,4-bromo-4-(4-chlorophenyl)piperidinium bromide,[Br-].Clc1ccc(cc1)C2(Br)CC[NH2+]CC2,[Br-].Clc1ccc(cc1)C2(Br)CC[NH2+]CC2,"InChI=1/C11H13BrClN.BrH/c12-11(5-7-14-8-6-11)9-1-3-10(13)4-2-9;/h1-4,14H,5-8H2;1H",C11H13BrClN.BrH,,,,,,HOXJBAUKZCJINO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.297,282-853-0,84434-53-7,"Disodium 7-amino-3-[[2,5-dimethyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate","disodium 7-amino-3-({2,5-dimethyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1cc(C)c(cc1C)N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c(C)c4,[Na+].[Na+].[O-]S(=O)(=O)c4ccc(N=Nc1cc(C)c(cc1C)N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c(C)c4,"InChI=1/C25H23N5O7S2.2Na/c1-13-8-18(38(32,33)34)5-7-20(13)27-28-21-9-15(3)22(10-14(21)2)29-30-24-23(39(35,36)37)12-16-11-17(26)4-6-19(16)25(24)31;;/h4-12,31H,26H2,1-3H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C25H23N5O7S2.2Na,,,,,,OXSBSDJKOHDMSH-UHFFFAOYSA-L,,,,,,,,,,,
100.075.299,282-855-1,84434-55-9,"4,4'-[(2-sulpho-1,4-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulpho-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic] acid","4,4'-{(2-sulfo-1,4-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)diazene-2,1-diyl]}bis[5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid]",OS(=O)(=O)c1ccc(cc1)N9/N=C(/C(O)=O)C(N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc4ccc(cc4S(O)(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\\C(=N/N(c6ccc(cc6)S(O)(=O)=O)C7=O)C(O)=O)c(cc8)S(O)(=O)=O)C9=O,OS(=O)(=O)c1ccc(cc1)N9/N=C(/C(O)=O)C(N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc4ccc(cc4S(O)(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\C(=N/N(c6ccc(cc6)S(O)(=O)=O)C7=O)C(O)=O)c(cc8)S(O)(=O)=O)C9=O,"InChI=1/C44H30Cl2N18O21S5/c45-39-51-41(47-18-2-13-28(88(77,78)79)26(15-18)57-59-31-33(37(67)68)61-63(35(31)65)21-4-8-23(9-5-21)86(71,72)73)55-43(52-39)49-20-1-12-25(30(17-20)90(83,84)85)50-44-54-40(46)53-42(56-44)48-19-3-14-29(89(80,81)82)27(16-19)58-60-32-34(38(69)70)62-64(36(32)66)22-6-10-24(11-7-22)87(74,75)76/h1-17,31-32H,(H,67,68)(H,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H2,47,49,51,52,55)(H2,48,50,53,54,56)",C44H30Cl2N18O21S5,,,,,,NJGRVENXYJERFL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.304,282-860-9,84434-60-6,"2,8,12-trimethyltridecan-4-one","2,8,12-trimethyltridecan-4-one",CC(C)CCCC(C)CCCC(=O)CC(C)C,CC(C)CCCC(C)CCCC(=O)CC(C)C,"InChI=1/C16H32O/c1-13(2)8-6-9-15(5)10-7-11-16(17)12-14(3)4/h13-15H,6-12H2,1-5H3",C16H32O,,,,,,RRMNNKKAJPGDCK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.305,282-861-4,84434-61-7,"Ethyl 1-hydroxy-3,3,5-trimethylcyclohexaneacetate","ethyl (1-hydroxy-3,3,5-trimethylcyclohexyl)acetate",CCOC(=O)CC1(O)CC(C)CC(C)(C)C1,CCOC(=O)CC1(O)CC(C)CC(C)(C)C1,"InChI=1/C13H24O3/c1-5-16-11(14)8-13(15)7-10(2)6-12(3,4)9-13/h10,15H,5-9H2,1-4H3",C13H24O3,,,,,,DCRFCORMCIEFEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.311,282-868-2,84434-67-3,4-[(4-aminophenyl)ethylamino]butane-1-sulphonic acid,4-[(4-aminophenyl)(ethyl)amino]butane-1-sulfonic acid,CCN(CCCCS(=O)(=O)O)c1ccc(N)cc1,CCN(CCCCS(=O)(=O)O)c1ccc(N)cc1,"InChI=1/C12H20N2O3S/c1-2-14(9-3-4-10-18(15,16)17)12-7-5-11(13)6-8-12/h5-8H,2-4,9-10,13H2,1H3,(H,15,16,17)",C12H20N2O3S,,,,,,JPGJBDBLHLPCNM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.313,282-870-3,84434-69-5,(p-dodecylbenzyl)(2-hydroxyethyl)dimethylammonium chloride,"N-(4-dodecylbenzyl)-2-hydroxy-N,N-dimethylethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)CCO)cc1,[Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)CCO)cc1,"InChI=1/C23H42NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-22-15-17-23(18-16-22)21-24(2,3)19-20-25;/h15-18,25H,4-14,19-21H2,1-3H3;1H/q+1;/p-1",C23H42NO.Cl,,,,,,SLWIQSRFLVLCFD-UHFFFAOYSA-M,,,,,,,,,,,
100.075.314,282-871-9,84434-70-8,"3,3,5-trimethylcyclohexyl 2-aminobenzoate","3,3,5-trimethylcyclohexyl 2-aminobenzoate",CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2N,CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2N,"InChI=1/C16H23NO2/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12H,8-10,17H2,1-3H3",C16H23NO2,,,,,,ZZIOHIIUIJCJIW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.320,282-878-7,84434-85-5,Lithium 3-aminobenzoate,lithium 3-aminobenzoate,[Li+].Nc1cccc(c1)C(=O)[O-],[Li+].Nc1cccc(c1)C(=O)[O-],"InChI=1/C7H7NO2.Li/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",C7H7NO2.Li,,,,,,HFUNGZFRJSOZIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.075.324,282-882-9,84449-80-9,4-[2-piperidinoethoxy]benzoic acid hydrochloride,4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride,Cl.OC(=O)c1ccc(OCCN2CCCCC2)cc1,Cl.OC(=O)c1ccc(OCCN2CCCCC2)cc1,"InChI=1/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H",C14H19NO3.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17609,https://echa.europa.eu/substance-information/-/substanceinfo/100.075.324,CMVTYSMYHSVDIU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.305,285-066-0,85013-98-5,1-[4-(trifluoromethoxy)phenyl]ethan-1-one,1-[4-(trifluoromethoxy)phenyl]ethanone,CC(=O)c1ccc(OC(F)(F)F)cc1,CC(=O)c1ccc(OC(F)(F)F)cc1,"InChI=1/C9H7F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3",C9H7F3O2,,,,,,MOEXTBIPPMLEFX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.328,285-091-7,85029-65-8,"Octadecadienoic acid, compound with succinic anhydride (1:1)","octadeca-2,4-dienoic acid - dihydrofuran-2,5-dione (1:1)",O=C(O)C=CC=CCCCCCCCCCCCCC.O=C1CCC(=O)O1,O=C(O)C=CC=CCCCCCCCCCCCCC.O=C1CCC(=O)O1,"InChI=1/C18H32O2.C4H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3-1-2-4(6)7-3/h14-17H,2-13H2,1H3,(H,19,20);1-2H2",C18H32O2.C4H2O3,,,,,,ONJFSVYMHYBTEU-UHFFFAOYSA-N,,,,,,,,,,,
100.052.486,257-753-5,52221-67-7,Bis[tetrakis(hydroxymethyl)phosphonium] oxalate,bis[tetrakis(hydroxymethyl)phosphonium] oxalate,OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-]C(=O)C(=O)[O-],OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-]C(=O)C(=O)[O-],"InChI=1/2C4H12O4P.C2H2O4/c2*5-1-9(2-6,3-7)4-8;3-1(4)2(5)6/h2*5-8H,1-4H2;(H,3,4)(H,5,6)/q2*+1;/p-2",C4H12O4P.1/2C2O4,,,,,,ZYNUSOWWGMTZHH-UHFFFAOYSA-L,,,,,,,,,,,
100.052.490,257-757-7,52225-20-4,"[2R*(4R*,8R*)]-(±)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,"InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3",C31H52O3,,,,,,ZAKOWWREFLAJOT-UHFFFAOYSA-N,,,,,,,,,,,
100.052.495,257-762-4,52231-92-2,"Sulfurous acid, lead salt, basic",-,[Pb].OS(O)=O,[Pb].OS(O)=O,"InChI=1/H2O3S.Pb.2H/c1-4(2)3;;;/h(H2,1,2,3);;;/q;+4;;/rH2O3S.H2Pb/c1-4(2)3;/h(H2,1,2,3);1H2/q;+4",-,,,,,,LTOIKVUBRYANRN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.042,278-169-7,75277-39-3,Sodium 4-(2-hydroxyethyl)piperazin-1-ylethanesulphonate,sodium 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate,[Na+].CC(N1CCN(CCO)CC1)S(=O)(=O)[O-],[Na+].CC(N1CCN(CCO)CC1)S(=O)(=O)[O-],"InChI=1/C8H18N2O4S.Na/c1-8(15(12,13)14)10-4-2-9(3-5-10)6-7-11;/h8,11H,2-7H2,1H3,(H,12,13,14);/q;+1/p-1",C8H18N2O4S.Na,,,,,,HBCNJIPGTJRQLC-UHFFFAOYSA-M,,,,,,,,,,,
100.071.063,278-192-2,75365-76-3,4-(phenylmethoxy)azobenzene,1-[4-(benzyloxy)phenyl]-2-phenyldiazene,C(Oc1ccc(cc1)N=Nc2ccccc2)c3ccccc3,C(Oc1ccc(cc1)N=Nc2ccccc2)c3ccccc3,"InChI=1/C19H16N2O/c1-3-7-16(8-4-1)15-22-19-13-11-18(12-14-19)21-20-17-9-5-2-6-10-17/h1-14H,15H2",C19H16N2O,,,,,,SDKQJMOEGSAXET-UHFFFAOYSA-N,,,,,,,,,,,
100.071.066,278-195-9,75383-81-2,N2-(1-oxodecyl)-L-lysine,N~2~-decanoyl-L-lysine,CCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O,CCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O,"InChI=1/C16H32N2O3/c1-2-3-4-5-6-7-8-12-15(19)18-14(16(20)21)11-9-10-13-17/h14H,2-13,17H2,1H3,(H,18,19)(H,20,21)",C16H32N2O3,,,,,,HWNOUKMTAAQVNH-AWEZNQCLSA-N,,,,,,,,,,,
100.071.076,278-207-2,75431-69-5,"Aluminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2-sulphonate)","aluminum tris(7,14-dioxo-5,7,12,14-tetrahydroquino[2,3-b]acridine-2-sulfonate)",[Al+3].[O-]S(=O)(=O)c1ccc2Nc3cc4C(=O)c5ccccc5Nc4cc3C(=O)c2c1.[O-]S(=O)(=O)c6ccc7Nc8cc9C(=O)c%10ccccc%10Nc9cc8C(=O)c7c6.[O-]S(=O)(=O)c%11ccc%12Nc%13cc%14C(=O)c%15ccccc%15Nc%14cc%13C(=O)c%12c%11,[Al+3].[O-]S(=O)(=O)c1ccc2Nc3cc4C(=O)c5ccccc5Nc4cc3C(=O)c2c1.[O-]S(=O)(=O)c6ccc7Nc8cc9C(=O)c%10ccccc%10Nc9cc8C(=O)c7c6.[O-]S(=O)(=O)c%11ccc%12Nc%13cc%14C(=O)c%15ccccc%15Nc%14cc%13C(=O)c%12c%11,"InChI=1/3C20H12N2O5S.Al/c3*23-19-11-3-1-2-4-15(11)21-17-9-14-18(8-13(17)19)22-16-6-5-10(28(25,26)27)7-12(16)20(14)24;/h3*1-9H,(H,21,23)(H,22,24)(H,25,26,27);/q;;;+3/p-3",C20H12N2O5S.1/3Al,,,,,,YQDDVIKRGHXRCN-UHFFFAOYSA-K,,,,,,,,,,,
100.046.425,251-084-2,32534-81-9,"Diphenyl ether, pentabromo derivative","1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene",Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,InChI=1/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H,C12H5Br5O,,,,,,WHPVYXDFIXRKLN-UHFFFAOYSA-N,,,,,,,,,,,
100.046.430,251-090-5,32539-83-6,"3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran","3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran",C1CCCCCC2=C(CCCC1)CCCO2,C1CCCCCC2=C(CCCC1)CCCO2,InChI=1/C15H26O/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H2,C15H26O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2046,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.430,VJRVVBJENDJBLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.432,251-092-6,32545-59-8,[1-(dimethylamino)ethylidene]bisphosphonic acid,"[1-(dimethylamino)ethane-1,1-diyl]bis(phosphonic acid)",CN(C)C(C)(P(=O)(O)O)P(=O)(O)O,CN(C)C(C)(P(=O)(O)O)P(=O)(O)O,"InChI=1/C4H13NO6P2/c1-4(5(2)3,12(6,7)8)13(9,10)11/h1-3H3,(H2,6,7,8)(H2,9,10,11)",C4H13NO6P2,,,,,,SCOXZKRXKMRCCY-UHFFFAOYSA-N,,,,,,,,,,,
100.046.433,251-093-1,32545-63-4,[(methylamino)methylene]bisphosphonic acid,[(methylamino)methylene]bis(phosphonic acid),CNC(P(=O)(O)O)P(=O)(O)O,CNC(P(=O)(O)O)P(=O)(O)O,"InChI=1/C2H9NO6P2/c1-3-2(10(4,5)6)11(7,8)9/h2-3H,1H3,(H2,4,5,6)(H2,7,8,9)",C2H9NO6P2,,,,,,UTRWIBWHXZRMIB-UHFFFAOYSA-N,,,,,,,,,,,
100.046.436,251-096-8,32555-34-3,Diphenoxyethyl(dimethyl)amine,"N,N-dimethyl-1,1-diphenoxyethanamine",CN(C)C(C)(Oc1ccccc1)Oc2ccccc2,CN(C)C(C)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C16H19NO2/c1-16(17(2)3,18-14-10-6-4-7-11-14)19-15-12-8-5-9-13-15/h4-13H,1-3H3",C16H19NO2,,,,,,ZOONQADLXWDSMG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.444,251-105-5,32574-43-9,"Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato-O3,O4)magnesium","magnesium bis(3-acetyl-6-methyl-2-oxo-3,4-dihydro-2H-pyran-4-olate) (non-preferred name)",CC(=O)C1C(O[Mg]OC2C=C(C)OC(=O)C2C(=O)C)C=C(C)OC1=O,CC(=O)C1C(O[Mg]OC2C=C(C)OC(=O)C2C(=O)C)C=C(C)OC1=O,"InChI=1/2C8H9O4.Mg/c2*1-4-3-6(10)7(5(2)9)8(11)12-4;/h2*3,6-7H,1-2H3;/q2*-1;+2/rC16H18MgO8/c1-7-5-11(13(9(3)18)15(20)22-7)24-17-25-12-6-8(2)23-16(21)14(12)10(4)19/h5-6,11-14H,1-4H3",C16H14MgO8,,,,,,PPTWJGMSCYLAIG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.447,251-108-1,32580-69-1,Ethyl p-isopropylcinnamate,ethyl 3-(4-isopropylphenyl)acrylate,CCOC(=O)\\C=C\\c1ccc(cc1)C(C)C,CCOC(=O)\C=C\c1ccc(cc1)C(C)C,"InChI=1/C14H18O2/c1-4-16-14(15)10-7-12-5-8-13(9-6-12)11(2)3/h5-11H,4H2,1-3H3",C14H18O2,,,,,,XCRHYAQWBYDRGV-JXMROGBWSA-N,,,,,,,,,,,
100.072.039,279-267-2,79793-00-3,p-[2-(trichlorosilyl)ethyl]benzenesulphonyl chloride,4-[2-(trichlorosilyl)ethyl]benzenesulfonyl chloride,Cl[Si](Cl)(Cl)CCc1ccc(cc1)S(=O)(=O)Cl,Cl[Si](Cl)(Cl)CCc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C8H8Cl4O2SSi/c9-15(13,14)8-3-1-7(2-4-8)5-6-16(10,11)12/h1-4H,5-6H2",C8H8Cl4O2SSi,,,,,,IHBDUARGLPMOND-UHFFFAOYSA-N,,,,,,,,,,,
100.075.154,282-696-8,84297-66-5,"Magnesium 1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-sulphonato-1,4:5,8-dimethanotriphenylene-10-carboxylate","magnesium 1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-11-sulfonato-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene-10-carboxylate",[Mg+2].[O-]C(=O)c1cc2C3C(C4C(c2cc1S(=O)(=O)[O-])C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,[Mg+2].[O-]C(=O)c1cc2C3C(C4C(c2cc1S(=O)(=O)[O-])C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl,"InChI=1/C21H8Cl12O5S.Mg/c22-11-13(24)18(28)9-7(16(11,26)20(18,30)31)3-1-5(15(34)35)6(39(36,37)38)2-4(3)8-10(9)19(29)14(25)12(23)17(8,27)21(19,32)33;/h1-2,7-10H,(H,34,35)(H,36,37,38);/q;+2/p-2",C21H8Cl12O5S.Mg,,,,,,QMMVSTYWERYNTC-UHFFFAOYSA-L,,,,,,,,,,,
100.075.157,282-699-4,84304-13-2,"3,7,7-trimethylbicyclo[4.1.0]heptane-2-methanol","(3,7,7-trimethylbicyclo[4.1.0]hept-2-yl)methanol",CC1CCC2C(C1CO)C2(C)C,CC1CCC2C(C1CO)C2(C)C,"InChI=1/C11H20O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h7-10,12H,4-6H2,1-3H3",C11H20O,,,,,,HRQKYZLPDOKAFK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.159,282-701-3,84304-16-5,"4-cyclohexyl-2,6-dimethylpyrylium hexafluoroarsenate","4-cyclohexyl-2,6-dimethylpyrylium hexafluoroarsenate(1-)",Cc1cc(cc(C)[o+]1)C2CCCCC2.F[As-](F)(F)(F)(F)F,Cc1cc(cc(C)[o+]1)C2CCCCC2.F[As-](F)(F)(F)(F)F,"InChI=1/C13H19O.AsF6/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12;2-1(3,4,5,6)7/h8-9,12H,3-7H2,1-2H3;/q+1;-1",C13H19O.AsF6,,,,,,GZMBRQNEYWJLSI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.171,282-714-4,84332-86-5,"Ethyl (RS)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxooxazolidine-5-carboxylate","ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate",CCOC(=O)C1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,CCOC(=O)C1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,"InChI=1/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3",C13H11Cl2NO5,,,,,,IGUYEXXAGBDLLX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.183,282-728-0,84332-98-9,"2-ethylhexyl 4,4-bis(3-butoxy-3-oxopropyl)-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 4,4-bis(3-butoxy-3-oxopropyl)-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCOC(=O)CC[Sn](CCC(=O)OCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCOC(=O)CC[Sn](CCC(=O)OCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/2C10H20O2S.2C7H13O2.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-5-6-9-7(8)4-2;/h2*9,13H,3-8H2,1-2H3;2*2-6H2,1H3;/q;;;;+2/p-2/rC34H64O8S2Sn/c1-7-13-17-29(11-5)25-41-33(37)27-43-45(23-19-31(35)39-21-15-9-3,24-20-32(36)40-22-16-10-4)44-28-34(38)42-26-30(12-6)18-14-8-2/h29-30H,7-28H2,1-6H3",C34H64O8S2Sn,,,,,,DTRWJNRIAUTQRZ-UHFFFAOYSA-L,,,,,,,,,,,
100.075.184,282-729-6,84332-99-0,"4-[bis(p-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one, disodium salt","4-[bis(p-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one, disodium salt",[Na+].[Na+].Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3,[Na+].[Na+].Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3,"InChI=1/C19H14O3.2Na/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;;/h1-12,20-21H;;/q;2*+1",C19H14O3.2Na,,,,,,FVDLPGJOSQQTMY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.944,281-363-4,83929-70-8,[(pentabromophenyl)methyl]triphenylphosphonium bromide,(pentabromobenzyl)(triphenyl)phosphonium bromide,[Br-].Brc1c(Br)c(Br)c(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(Br)c1Br,[Br-].Brc1c(Br)c(Br)c(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(Br)c1Br,"InChI=1/C25H17Br5P.BrH/c26-21-20(22(27)24(29)25(30)23(21)28)16-31(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1",C25H17Br5P.Br,,,,,,WIUMRKTZUGNBEB-UHFFFAOYSA-M,,,,,,,,,,,
100.073.946,281-366-0,83929-72-0,[[pentakis(bromomethyl)phenyl]methyl]triphenylphosphonium bromide,[pentakis(bromomethyl)benzyl](triphenyl)phosphonium bromide,[Br-].BrCc1c(CBr)c(CBr)c(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(CBr)c1CBr,[Br-].BrCc1c(CBr)c(CBr)c(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(CBr)c1CBr,"InChI=1/C30H27Br5P.BrH/c31-16-25-26(17-32)28(19-34)30(29(20-35)27(25)18-33)21-36(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-15H,16-21H2;1H/q+1;/p-1",C30H27Br5P.Br,,,,,,VYSBPBFVWUKOFT-UHFFFAOYSA-M,,,,,,,,,,,
100.073.952,281-372-3,83929-78-6,"Bromotetrakis(bromomethyl)[(2,4,6-tribromophenoxy)methyl]benzene","1-bromo-2,3,4,5-tetrakis(bromomethyl)-6-[(2,4,6-tribromophenoxy)methyl]benzene",BrCc1c(Br)c(COc2c(Br)cc(Br)cc2Br)c(CBr)c(CBr)c1CBr,BrCc1c(Br)c(COc2c(Br)cc(Br)cc2Br)c(CBr)c(CBr)c1CBr,"InChI=1/C17H12Br8O/c18-3-9-10(4-19)12(6-21)16(25)13(11(9)5-20)7-26-17-14(23)1-8(22)2-15(17)24/h1-2H,3-7H2",C17H12Br8O,,,,,,VUGWCMPLDDRYOU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.961,281-382-8,83930-11-4,Disodium sulphamate,disodium sulphamate,[Na+].[Na+].NS(=O)(=O)[O-].NS(=O)(=O)[O-],[Na+].[Na+].NS(=O)(=O)[O-].NS(=O)(=O)[O-],"InChI=1/2H3NO3S.2Na/c2*1-5(2,3)4;;/h2*(H3,1,2,3,4);;/q;;2*+1/p-2",H3NO3S.2Na,,,,,,BKPWGRPPNNNHSJ-UHFFFAOYSA-L,,,,,,,,,,,
100.073.963,281-384-9,83949-25-1,Sodium (4-nonylphenyl) phosphonate,sodium 4-nonylphenyl phosphonate,[Na+].CCCCCCCCCc1ccc(OP(=O)[O-])cc1,[Na+].CCCCCCCCCc1ccc(OP(=O)[O-])cc1,"InChI=1/C15H25O3P.Na/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)18-19(16)17;/h10-13,19H,2-9H2,1H3,(H,16,17);/q;+1/p-1",C15H25O3P.Na,,,,,,VETAAFNGRNROOG-UHFFFAOYSA-M,,,,,,,,,,,
100.075.428,282-996-9,84522-00-9,"Disodium 6-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate","disodium 6-amino-4-hydroxy-3-({2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].COc4cc(N=Nc1ccc(cc1)[N+]([O-])=O)c(C)cc4N=Nc3c(cc2cc(c(N)cc2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].COc4cc(N=Nc1ccc(cc1)[N+]([O-])=O)c(C)cc4N=Nc3c(cc2cc(c(N)cc2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C24H20N6O10S2.2Na/c1-12-7-19(20(40-2)11-18(12)27-26-14-3-5-15(6-4-14)30(32)33)28-29-23-22(42(37,38)39)9-13-8-21(41(34,35)36)17(25)10-16(13)24(23)31;;/h3-11,31H,25H2,1-2H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C24H20N6O10S2.2Na,,,,,,JHNBVKFXVSBQDJ-UHFFFAOYSA-L,,,,,,,,,,,
100.076.547,284-231-4,84824-80-6,Methyl 3-oxo-4-pentylidenecyclopentaneacetate,methyl (3-oxo-4-pentylidenecyclopentyl)acetate,O=C(CC1CC(=O)C(=CCCCC)C1)OC,O=C(CC1CC(=O)C(=CCCCC)C1)OC,"InChI=1/C13H20O3/c1-3-4-5-6-11-7-10(8-12(11)14)9-13(15)16-2/h6,10H,3-5,7-9H2,1-2H3",C13H20O3,,,,,,LYAXDZCODXLABU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.551,284-236-1,84824-84-0,"3-[(2,2-diethoxyethyl)thio]propene","3-[(2,2-diethoxyethyl)sulfanyl]prop-1-ene",CCOC(CSCC=C)OCC,CCOC(CSCC=C)OCC,"InChI=1/C9H18O2S/c1-4-7-12-8-9(10-5-2)11-6-3/h4,9H,1,5-8H2,2-3H3",C9H18O2S,,,,,,GUPNPBPAAVCQLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.556,284-241-9,84824-89-5,"Methyl (19a)-16,17-didehydro-19-methyl-11-[(1-phenyl-1H-tetrazol-5-yl)oxy]oxayohimban-16-carboxylate","methyl 19-methyl-11-[(1-phenyl-1H-tetrazol-5-yl)oxy]-16,17-didehydro-18-oxayohimban-16-carboxylate",COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(Oc6nnnn6c7ccccc7)ccc45)[C@@H]3C[C@H]12,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(Oc6nnnn6c7ccccc7)ccc45)[C@@H]3C[C@H]12,"InChI=1/C28H28N6O4/c1-16-22-14-33-11-10-20-19-9-8-18(38-28-30-31-32-34(28)17-6-4-3-5-7-17)12-24(19)29-26(20)25(33)13-21(22)23(15-37-16)27(35)36-2/h3-9,12,15-16,21-22,25,29H,10-11,13-14H2,1-2H3",C28H28N6O4,,,,,,FAAZBDFGKPWTQU-BDCACXIJSA-N,,,,,,,,,,,
100.076.558,284-244-5,84824-91-9,"3,5-dicarboxy-1-methylpyridinium iodide","3,5-dicarboxy-1-methylpyridinium iodide",[I-].C[n+]1cc(cc(c1)C(=O)O)C(=O)O,[I-].C[n+]1cc(cc(c1)C(=O)O)C(=O)O,"InChI=1/C8H7NO4.HI/c1-9-3-5(7(10)11)2-6(4-9)8(12)13;/h2-4H,1H3,(H-,10,11,12,13);1H",C8H8NO4.I,,,,,,PSRNFLOPUFDHLM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.560,284-246-6,84824-93-1,4-(ammoniomethyl)pyridinium sulphate,4-(ammoniomethyl)pyridinium sulfate,[NH3+]Cc1cc[nH+]cc1.[O-]S(=O)(=O)[O-],[NH3+]Cc1cc[nH+]cc1.[O-]S(=O)(=O)[O-],"InChI=1/C6H8N2.H2O4S/c7-5-6-1-3-8-4-2-6;1-5(2,3)4/h1-4H,5,7H2;(H2,1,2,3,4)",C6H8N2.H2O4S,,,,,,PKLNUGHJGSDRTA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.564,284-250-8,84824-97-5,6-tert-butyl-4-(morpholinomethyl)-o-cresol,2-tert-butyl-6-methyl-4-(morpholin-4-ylmethyl)phenol,Cc1cc(CN2CCOCC2)cc(c1O)C(C)(C)C,Cc1cc(CN2CCOCC2)cc(c1O)C(C)(C)C,"InChI=1/C16H25NO2/c1-12-9-13(11-17-5-7-19-8-6-17)10-14(15(12)18)16(2,3)4/h9-10,18H,5-8,11H2,1-4H3",C16H25NO2,,,,,,NEXDPQSALYOYQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.546,280-924-0,83804-02-8,"Disodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(trichlorophenyl)methyl]-3-methylsalicylate","disodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,3,4-trichlorophenyl)methyl]-2-hydroxy-3-methylbenzoate",[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)C(c2ccc(Cl)c(Cl)c2Cl)=C/3/C=C(/C)C(=O)\\C(=C\\3)C([O-])=O,[Na+].[Na+].[O-]C(=O)c1cc(cc(C)c1O)C(c2ccc(Cl)c(Cl)c2Cl)=C/3/C=C(/C)C(=O)\C(=C\3)C([O-])=O,"InChI=1/C23H15Cl3O6.2Na/c1-9-5-11(7-14(20(9)27)22(29)30)17(13-3-4-16(24)19(26)18(13)25)12-6-10(2)21(28)15(8-12)23(31)32;;/h3-8,27H,1-2H3,(H,29,30)(H,31,32);;/q;2*+1/p-2",C23H15Cl3O6.2Na,,,,,,MFLBTDFQEKYZHH-UHFFFAOYSA-L,,,,,,,,,,,
100.073.560,280-939-2,83811-83-0,"1,2,3,4-tetrahydro-6-methoxyquinolinium chloride","6-methoxy-1,2,3,4-tetrahydroquinolinium chloride",[Cl-].COc1ccc2[NH2+]CCCc2c1,[Cl-].COc1ccc2[NH2+]CCCc2c1,"InChI=1/C10H13NO.ClH/c1-12-9-4-5-10-8(7-9)3-2-6-11-10;/h4-5,7,11H,2-3,6H2,1H3;1H",C10H13NO.ClH,,,,,,PUNAIBGBPJOJLT-UHFFFAOYSA-N,,,,,,,,,,,
100.073.562,280-941-3,83817-40-7,"5,7-dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-1H-indole-2-carboxamide monohydrochloride","5,7-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide hydrochloride",Cl.CCN1CCCC1CNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2OC,Cl.CCN1CCCC1CNC(=O)c2[nH]c3c(Cl)cc(Cl)cc3c2OC,"InChI=1/C17H21Cl2N3O2.ClH/c1-3-22-6-4-5-11(22)9-20-17(23)15-16(24-2)12-7-10(18)8-13(19)14(12)21-15;/h7-8,11,21H,3-6,9H2,1-2H3,(H,20,23);1H",C17H21Cl2N3O2.ClH,,,,,,ZCGQJAQQZKYBSW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.565,280-945-5,83817-43-0,"2-(2-bromophenyl)-5-phenyl-1,3,4-oxadiazole","2-(2-bromophenyl)-5-phenyl-1,3,4-oxadiazole",Brc1ccccc1c2oc(nn2)c3ccccc3,Brc1ccccc1c2oc(nn2)c3ccccc3,InChI=1/C14H9BrN2O/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H,C14H9BrN2O,,,,,,LXTOVESBFFREMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.569,280-949-7,83817-49-6,Potassium 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate,potassium 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate,[K+].Cc1onc(c1C(=O)[O-])c2c(F)cccc2Cl,[K+].Cc1onc(c1C(=O)[O-])c2c(F)cccc2Cl,"InChI=1/C11H7ClFNO3.K/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13;/h2-4H,1H3,(H,15,16);/q;+1/p-1",C11H7ClFNO3.K,,,,,,WSVNCRYFLWGXLZ-UHFFFAOYSA-M,,,,,,,,,,,
100.073.463,280-832-0,83783-96-4,"2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[2-[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-4-hydroxy-, lithium sodium salt, compd. with 2,2'-(methylimino)bis[ethanol]","lithium sodium 5-amino-3-{[4-(2-{4-[(7-amino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]-2-sulfophenyl}vinyl)-3-sulfophenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate 2,2'-(methylimino)diethanol (1:1)",[Li+].[Na+].OCCN(C)CCO.OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc5ccc(C=Cc2ccc(cc2S(O)(=O)=O)N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)S(O)(=O)=O,[Li+].[Na+].OCCN(C)CCO.OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc5ccc(C=Cc2ccc(cc2S(O)(=O)=O)N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)S(O)(=O)=O,"InChI=1/C34H26N6O17S5.C5H13NO2.Li.Na/c35-20-6-3-18-10-28(61(52,53)54)31(33(41)24(18)12-20)39-37-21-7-4-16(26(13-21)59(46,47)48)1-2-17-5-8-22(14-27(17)60(49,50)51)38-40-32-29(62(55,56)57)11-19-9-23(58(43,44)45)15-25(36)30(19)34(32)42;1-6(2-4-7)3-5-8;;/h1-15,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);7-8H,2-5H2,1H3;;/q;;2*+1/p-2",C34H26N6O17S5.xC5H13NO2.xLi.xNa,,,,,,YCNLCRJMFWBWAD-UHFFFAOYSA-L,,,,,,,,,,,
100.073.466,280-835-7,83784-01-4,"Tetrasodium 3-[[2-methyl-4-(7-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)phenyl]azo]-7-(6-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)naphthalene-1,5-disulphonate","tetrasodium 3-{[2-methyl-4-(7-sulfonato-2H-naphtho[1,2-d][1,2,3]triazol-2-yl)phenyl]diazenyl}-7-(6-sulfonato-2H-naphtho[1,2-d][1,2,3]triazol-2-yl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9cccc1c9ccc2nn(nc12)c3cc(c4cc(cc(c4c3)S([O-])(=O)=O)N=Nc5ccc(cc5C)n6nc7c8ccc(cc8ccc7n6)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9cccc1c9ccc2nn(nc12)c3cc(c4cc(cc(c4c3)S([O-])(=O)=O)N=Nc5ccc(cc5C)n6nc7c8ccc(cc8ccc7n6)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C37H24N8O12S4.4Na/c1-19-13-22(44-40-31-10-5-20-14-24(58(46,47)48)7-8-25(20)36(31)42-44)6-11-30(19)39-38-21-15-28-29(34(16-21)60(52,53)54)17-23(18-35(28)61(55,56)57)45-41-32-12-9-26-27(37(32)43-45)3-2-4-33(26)59(49,50)51;;;;/h2-18H,1H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4",C37H24N8O12S4.4Na,,,,,,IJULFKLABVJLFK-UHFFFAOYSA-J,,,,,,,,,,,
100.073.485,280-856-1,83803-39-8,"2-[3-(heptylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one","2-[3-(heptylsulfanyl)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethanone",CCCCCCCSc1ncn(CC(=O)c2ccccc2O)n1,CCCCCCCSc1ncn(CC(=O)c2ccccc2O)n1,"InChI=1/C17H23N3O2S/c1-2-3-4-5-8-11-23-17-18-13-20(19-17)12-16(22)14-9-6-7-10-15(14)21/h6-7,9-10,13,21H,2-5,8,11-12H2,1H3",C17H23N3O2S,,,,,,LVAIVRSLROYZNU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.233,279-481-6,80475-32-7,"N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonamide N-oxide","N,N-dimethyl-3-{oxido[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}propan-1-amine",CN(C)CCC[NH+]([O-])S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCC[NH+]([O-])S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H17F13N2O3S/c1-27(2)5-3-6-28(29)32(30,31)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h28H,3-7H2,1-2H3",C13H17F13N2O3S,,,,,,WQNQTJSLPDZSDK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.238,279-486-3,80490-80-8,"N,N'-dibutylpiperazine-1,4-dithiocarboxamide","N,N'-dibutylpiperazine-1,4-dicarbothioamide",CCCCNC(=S)N1CCN(CC1)C(=S)NCCCC,CCCCNC(=S)N1CCN(CC1)C(=S)NCCCC,"InChI=1/C14H28N4S2/c1-3-5-7-15-13(19)17-9-11-18(12-10-17)14(20)16-8-6-4-2/h3-12H2,1-2H3,(H,15,19)(H,16,20)",C14H28N4S2,,,,,,KDEPUXJLUAVPAH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.241,279-490-5,80526-82-5,Tetramethylammonium hydrogen sulphate,"N,N,N-trimethylmethanaminium hydrogen sulfate",C[N+](C)(C)C.[O-]S(=O)(=O)[O-],C[N+](C)(C)C.[O-]S(=O)(=O)[O-],"InChI=1/C4H12N.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;/p-2",C4H12N.HO4S,,,,,,DWTYPCUOWWOADE-UHFFFAOYSA-L,,,,,,,,,,,
100.072.242,279-491-0,80530-56-9,5-mercapto-o-anisic acid,2-methoxy-5-sulfanylbenzoic acid,COc1ccc(S)cc1C(=O)O,COc1ccc(S)cc1C(=O)O,"InChI=1/C8H8O3S/c1-11-7-3-2-5(12)4-6(7)8(9)10/h2-4,12H,1H3,(H,9,10)",C8H8O3S,,,,,,FNDCOFKQOCGHEI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.876,281-288-7,83916-72-7,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-cystine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-cystine - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O.C3CCNCC3,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O.C3CCNCC3,"InChI=1/C18H23N3O6S3.C5H11N/c1-21(2)15-7-3-6-12-11(15)5-4-8-16(12)30(26,27)20-14(18(24)25)10-29-28-9-13(19)17(22)23;1-2-4-6-5-3-1/h3-8,13-14,20H,9-10,19H2,1-2H3,(H,22,23)(H,24,25);6H,1-5H2",C18H23N3O6S3.C5H11N,,,,,,FEEMKSWIKKSDMG-IODNYQNNSA-N,,,,,,,,,,,
100.073.881,281-293-4,83918-59-6,"Isopropyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate","isopropyl octadeca-9,12,15-trienoate",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)OC(C)C,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(C)C,"InChI=1/C21H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3",C21H36O2,,,,,,SQOVKJOWVZUDDC-AGRJPVHOSA-N,,,,,,,,,,,
100.073.888,281-301-6,83918-66-5,Dimethoxymethyl(2-phenylethoxy)silane,(dimethoxymethyl)(2-phenylethoxy)silane,COC(OC)[SiH2]OCCc1ccccc1,COC(OC)[SiH2]OCCc1ccccc1,"InChI=1/C11H18O3Si/c1-12-11(13-2)15-14-9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,15H2,1-2H3",C11H18O3Si,,,,,,MRCPSCJAHNVNOE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.890,281-303-7,83918-68-7,Methyltri(3-phenylpropoxy)silane,methyl[tris(3-phenylpropoxy)]silane,C[Si](OCCCc1ccccc1)(OCCCc2ccccc2)OCCCc3ccccc3,C[Si](OCCCc1ccccc1)(OCCCc2ccccc2)OCCCc3ccccc3,"InChI=1/C28H36O3Si/c1-32(29-23-11-20-26-14-5-2-6-15-26,30-24-12-21-27-16-7-3-8-17-27)31-25-13-22-28-18-9-4-10-19-28/h2-10,14-19H,11-13,20-25H2,1H3",C28H36O3Si,,,,,,LMHQIJHSJNGPJP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.891,281-304-2,83918-69-8,Dimethoxymethyl(3-phenylpropoxy)silane,(dimethoxymethyl)(3-phenylpropoxy)silane,COC(OC)[SiH2]OCCCc1ccccc1,COC(OC)[SiH2]OCCCc1ccccc1,"InChI=1/C12H20O3Si/c1-13-12(14-2)16-15-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10,16H2,1-2H3",C12H20O3Si,,,,,,XOHUWLRLBHHNBD-UHFFFAOYSA-N,,,,,,,,,,,
100.046.453,251-114-4,32586-82-6,Sodium dimethyl phosphate,sodium dimethyl phosphate,[Na+].COP(=O)([O-])OC,[Na+].COP(=O)([O-])OC,"InChI=1/C2H7O4P.Na/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1",C2H7O4P.Na,,,,,,LMGRDVWNCARTPS-UHFFFAOYSA-M,,,,,,,,,,,
100.046.455,251-117-0,32588-74-2,"N,N'-(methylenedi-p-phenylene)bis[3,4,5,6,-tetrabromophthalimide]","2,2'-(methylenedi-4,1-phenylene)bis(4,5,6,7-tetrabromo-1H-isoindole-1,3(2H)-dione)",Brc1c(Br)c(Br)c2C(=O)N(C(=O)c2c1Br)c3ccc(Cc4ccc(cc4)N5C(=O)c6c(Br)c(Br)c(Br)c(Br)c6C5=O)cc3,Brc1c(Br)c(Br)c2C(=O)N(C(=O)c2c1Br)c3ccc(Cc4ccc(cc4)N5C(=O)c6c(Br)c(Br)c(Br)c(Br)c6C5=O)cc3,"InChI=1/C29H10Br8N2O4/c30-18-14-15(19(31)23(35)22(18)34)27(41)38(26(14)40)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)39-28(42)16-17(29(39)43)21(33)25(37)24(36)20(16)32/h1-8H,9H2",C29H10Br8N2O4,,,,,,RHFKNNBDKARGKL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.461,251-123-3,32596-43-3,5-chloro-2-hydroxyisophthalaldehyde,5-chloro-2-hydroxyisophthalaldehyde,Oc1c(C=O)cc(Cl)cc1C=O,Oc1c(C=O)cc(Cl)cc1C=O,"InChI=1/C8H5ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H",C8H5ClO3,,,,,,MYHXSDYZVOKOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.047,283-682-4,84696-76-4,9-(octahydro-1-pentalenyl)-9-phosphabicyclo[3.3.1]nonane,9-(octahydropentalen-1-yl)-9-phosphabicyclo[3.3.1]nonane,C1CC2CCCC(C1)P2C3CCC4CCCC34,C1CC2CCCC(C1)P2C3CCC4CCCC34,"InChI=1/C16H27P/c1-4-12-10-11-16(15(12)9-1)17-13-5-2-6-14(17)8-3-7-13/h12-16H,1-11H2",C16H27P,,,,,,WPIXMSMPNWMDFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.059,283-696-0,84696-88-8,"4,5-dihydro-4-(1H-indol-3-ylmethylene)-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monoacetate","4-(1H-indol-3-ylmethylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carboximidamide acetate",CC(O)=O.NC(=N)N3/N=C(/C)C(=Cc2cnc1ccccc12)C3=O,CC(O)=O.NC(=N)N3/N=C(/C)C(=Cc2cnc1ccccc12)C3=O,"InChI=1/C14H13N5O.C2H4O2/c1-8-11(13(20)19(18-8)14(15)16)6-9-7-17-12-5-3-2-4-10(9)12;1-2(3)4/h2-7,17H,1H3,(H3,15,16);1H3,(H,3,4)",C14H13N5O.C2H4O2,,,,,,JIXFYFMUVAVXTD-UHFFFAOYSA-N,,,,,,,,,,,
100.076.065,283-702-1,84696-94-6,"1,3-diethyl [(4-dodecyl-3-sulphophenyl)azo]malonate",2-dodecyl-5-{[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]diazenyl}benzenesulfonic acid,CCOC(=O)C(N=Nc1ccc(CCCCCCCCCCCC)c(c1)S(O)(=O)=O)C(=O)OCC,CCOC(=O)C(N=Nc1ccc(CCCCCCCCCCCC)c(c1)S(O)(=O)=O)C(=O)OCC,"InChI=1/C25H40N2O7S/c1-4-7-8-9-10-11-12-13-14-15-16-20-17-18-21(19-22(20)35(30,31)32)26-27-23(24(28)33-5-2)25(29)34-6-3/h17-19,23H,4-16H2,1-3H3,(H,30,31,32)",C25H40N2O7S,,,,,,DHWGRNIBHDJROJ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.070,283-707-9,84696-99-1,Dipotassium dihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,dipotassium dihydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.2K/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4",C4H13NO7P2.2K,,,,,,UTIHOMZIALOUMX-UHFFFAOYSA-J,,,,,,,,,,,
100.076.078,283-716-8,84697-07-4,"(2,4-dichlorobenzyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride","N-(2,4-dichlorobenzyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl,"InChI=1/C30H52Cl2N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(35)33-23-19-24-34(2,3)26-27-21-22-28(31)25-29(27)32;/h21-22,25H,4-20,23-24,26H2,1-3H3;1H",C30H53Cl2N2O.Cl,,,,,,WVCSJELIICFXBX-UHFFFAOYSA-N,,,,,,,,,,,
100.052.499,257-767-1,52235-55-9,[[3-(aminomethyl)phenyl]methyl]carbamic acid,[3-(aminomethyl)benzyl]carbamic acid,NCc1cccc(CNC(=O)O)c1,NCc1cccc(CNC(=O)O)c1,"InChI=1/C9H12N2O2/c10-5-7-2-1-3-8(4-7)6-11-9(12)13/h1-4,11H,5-6,10H2,(H,12,13)",C9H12N2O2,,,,,,HYKFCGUBCWWEBA-UHFFFAOYSA-N,,,,,,,,,,,
100.053.128,258-460-5,53280-20-9,"Methyl N,N-dibutyl-ß-alaninate","methyl N,N-dibutyl-beta-alaninate",CCCCN(CCCC)CCC(=O)OC,CCCCN(CCCC)CCC(=O)OC,"InChI=1/C12H25NO2/c1-4-6-9-13(10-7-5-2)11-8-12(14)15-3/h4-11H2,1-3H3",C12H25NO2,,,,,,OTMLJGIEQPAZPI-UHFFFAOYSA-N,,,,,,,,,,,
100.053.134,258-466-8,53304-33-9,"8H-benzimidazo[2,1-a]thioxanthene[2,1,9-def]isoquinolin-8-one","8H-benzimidazo[2,1-a]thioxantheno[2,1,9-def]isoquinolin-8-one",O=C1c2ccc3Sc4ccccc4c5ccc(c6nc7ccccc7n16)c2c35,O=C1c2ccc3Sc4ccccc4c5ccc(c6nc7ccccc7n16)c2c35,InChI=1/C24H12N2OS/c27-24-16-11-12-20-22-14(13-5-1-4-8-19(13)28-20)9-10-15(21(16)22)23-25-17-6-2-3-7-18(17)26(23)24/h1-12H,C24H12N2OS,,,,,,JJPFKJSNRLSDKT-UHFFFAOYSA-N,,,,,,,,,,,
100.053.138,258-471-5,53312-79-1,3-amino-4-chlorobenzonitrile,3-amino-4-chlorobenzonitrile,Nc1cc(ccc1Cl)C#N,Nc1cc(ccc1Cl)C#N,"InChI=1/C7H5ClN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2",C7H5ClN2,,,,,,KRBRYJLBILJHAS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.144,258-477-8,53324-72-4,1-(2-chloroethyl)-2-methylpiperidine,1-(2-chloroethyl)-2-methylpiperidine,CC1CCCCN1CCCl,CC1CCCCN1CCCl,"InChI=1/C8H16ClN/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-7H2,1H3",C8H16ClN,,,,,,POIJSGZKRFFSLG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.047,279-276-1,79809-26-0,"Tetrasodium 3-[[5-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4-hydroxy-6-[(3-sulphonatophenyl)amino]naphthalene-2-sulphonate","tetrasodium 3-{[5-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-4-hydroxy-6-[(3-sulfonatophenyl)amino]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4ccc(c(N=Nc3c(cc2ccc(Nc1cccc(c1)S([O-])(=O)=O)cc2c3O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Nc5cccc(c5)S(=O)(=O)CCOS([O-])(=O)=O)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc4ccc(c(N=Nc3c(cc2ccc(Nc1cccc(c1)S([O-])(=O)=O)cc2c3O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Nc5cccc(c5)S(=O)(=O)CCOS([O-])(=O)=O)n6,"InChI=1/C33H27ClN8O16S5.4Na/c34-31-38-32(36-20-4-1-5-23(14-20)59(44,45)12-11-58-63(55,56)57)40-33(39-31)37-22-9-10-27(61(49,50)51)26(17-22)41-42-29-28(62(52,53)54)13-18-7-8-21(16-25(18)30(29)43)35-19-3-2-6-24(15-19)60(46,47)48;;;;/h1-10,13-17,35,43H,11-12H2,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,36,37,38,39,40);;;;/q;4*+1/p-4",C33H27ClN8O16S5.4Na,,,,,,AHVQFIVLXIXFPB-UHFFFAOYSA-J,,,,,,,,,,,
100.072.048,279-277-7,79811-55-5,"4-[(2,4-dinitrophenyl)azo]-N-phenylnaphthalen-1-amine","4-[(2,4-dinitrophenyl)diazenyl]-N-phenylnaphthalen-1-amine",[O-][N+](=O)c4ccc(N=Nc2ccc(Nc1ccccc1)c3ccccc23)c(c4)[N+]([O-])=O,[O-][N+](=O)c4ccc(N=Nc2ccc(Nc1ccccc1)c3ccccc23)c(c4)[N+]([O-])=O,"InChI=1/C22H15N5O4/c28-26(29)16-10-11-21(22(14-16)27(30)31)25-24-20-13-12-19(17-8-4-5-9-18(17)20)23-15-6-2-1-3-7-15/h1-14,23H",C22H15N5O4,,,,,,LDNMUBGKPCFSHV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.053,279-282-4,79817-52-0,Sodium 3-(4-methyl-2-nitrophenoxy)propanesulphonate,sodium 3-(4-methyl-2-nitrophenoxy)propane-1-sulfonate,[Na+].Cc1ccc(OCCCS(=O)(=O)[O-])c(c1)[N+](=O)[O-],[Na+].Cc1ccc(OCCCS(=O)(=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C10H13NO6S.Na/c1-8-3-4-10(9(7-8)11(12)13)17-5-2-6-18(14,15)16;/h3-4,7H,2,5-6H2,1H3,(H,14,15,16);/q;+1/p-1",C10H13NO6S.Na,,,,,,NYUMEYVVSINMIU-UHFFFAOYSA-M,,,,,,,,,,,
100.072.064,279-295-5,79817-64-4,2-[[[4-hydroxy-3-[[2-(phenylamino)-1-naphthyl]azo]phenyl]sulphonyl]amino]benzoic acid,2-[({3-[(2-anilino-1-naphthyl)diazenyl]-4-hydroxyphenyl}sulfonyl)amino]benzoic acid,Oc4ccc(cc4N=Nc2c3ccccc3ccc2Nc1ccccc1)S(=O)(=O)Nc5ccccc5C(O)=O,Oc4ccc(cc4N=Nc2c3ccccc3ccc2Nc1ccccc1)S(=O)(=O)Nc5ccccc5C(O)=O,"InChI=1/C29H22N4O5S/c34-27-17-15-21(39(37,38)33-24-13-7-6-12-23(24)29(35)36)18-26(27)31-32-28-22-11-5-4-8-19(22)14-16-25(28)30-20-9-2-1-3-10-20/h1-18,30,33-34H,(H,35,36)",C29H22N4O5S,,,,,,RXFVYZCAIOHZGP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.068,279-299-7,79817-68-8,"Disodium 1-[[[4'-nitro[1,1'-biphenyl]-4-yl]carbonyl]amino]anthracene-9,10-diyl disulphate","disodium 1-{[(4'-nitrobiphenyl-4-yl)carbonyl]amino}anthracene-9,10-diyl disulfate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc4c(OS(=O)(=O)[O-])c5ccccc5c(OS(=O)(=O)[O-])c34,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc4c(OS(=O)(=O)[O-])c5ccccc5c(OS(=O)(=O)[O-])c34,"InChI=1/C27H18N2O11S2.2Na/c30-27(18-10-8-16(9-11-18)17-12-14-19(15-13-17)29(31)32)28-23-7-3-6-22-24(23)26(40-42(36,37)38)21-5-2-1-4-20(21)25(22)39-41(33,34)35;;/h1-15H,(H,28,30)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C27H18N2O11S2.2Na,,,,,,SNEBLNDWILCMBQ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.075,279-306-3,79817-75-7,Sodium 6-amino-5-[[3-[(ethylphenylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-({3-[ethyl(phenyl)sulfamoyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].CCN(c1ccccc1)S(=O)(=O)c2cccc(c2)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,[Na+].CCN(c1ccccc1)S(=O)(=O)c2cccc(c2)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,"InChI=1/C24H22N4O6S2.Na/c1-2-28(18-8-4-3-5-9-18)35(30,31)19-10-6-7-17(14-19)26-27-24-21(25)12-11-16-13-20(36(32,33)34)15-22(29)23(16)24;/h3-15,29H,2,25H2,1H3,(H,32,33,34);/q;+1/p-1",C24H22N4O6S2.Na,,,,,,XDCHHXDYGFRRJT-UHFFFAOYSA-M,,,,,,,,,,,
100.072.077,279-308-4,79817-78-0,"Sodium 1-amino-9,10-dihydro-4-[(4-methyl-2-nitrophenyl)amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-methyl-2-nitrophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)[N+](=O)[O-],[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)[N+](=O)[O-],"InChI=1/C21H15N3O7S.Na/c1-10-6-7-13(15(8-10)24(27)28)23-14-9-16(32(29,30)31)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26;/h2-9,23H,22H2,1H3,(H,29,30,31);/q;+1/p-1",C21H15N3O7S.Na,,,,,,HISYRAAAHXMLNB-UHFFFAOYSA-M,,,,,,,,,,,
100.075.197,282-743-2,84370-83-2,3-hydroxybutyl salicylate,3-hydroxybutyl salicylate,CC(O)CCOC(=O)c1ccccc1O,CC(O)CCOC(=O)c1ccccc1O,"InChI=1/C11H14O4/c1-8(12)6-7-15-11(14)9-4-2-3-5-10(9)13/h2-5,8,12-13H,6-7H2,1H3",C11H14O4,,,,,,GOWRHHXEUNPVIC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.204,282-751-6,84376-08-9,"Succinic acid, compound with 2-aminoethanol (1:2)",2-aminoethanol succinate (2:1) (salt),NCCO.NCCO.OC(=O)CCC(=O)O,NCCO.NCCO.OC(=O)CCC(=O)O,"InChI=1/C4H6O4.2C2H7NO/c5-3(6)1-2-4(7)8;2*3-1-2-4/h1-2H2,(H,5,6)(H,7,8);2*4H,1-3H2",C4H6O4.2C2H7NO,,,,,,WVUZSWMNZBVFFK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.980,281-404-6,83949-43-3,Sodium 2-amino-5-ethoxybenzenesulphonate,sodium 2-amino-5-ethoxybenzenesulfonate,[Na+].CCOc1ccc(N)c(c1)S(=O)(=O)[O-],[Na+].CCOc1ccc(N)c(c1)S(=O)(=O)[O-],"InChI=1/C8H11NO4S.Na/c1-2-13-6-3-4-7(9)8(5-6)14(10,11)12;/h3-5H,2,9H2,1H3,(H,10,11,12);/q;+1/p-1",C8H11NO4S.Na,,,,,,PFKVAAKSPYCYRE-UHFFFAOYSA-M,,,,,,,,,,,
100.073.575,280-956-5,83817-55-4,"3,3'-methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid","3,3'-methylenebis(5-chloro-2-hydroxybenzenesulfonic acid)",Oc1c(Cc2cc(Cl)cc(c2O)S(=O)(=O)O)cc(Cl)cc1S(=O)(=O)O,Oc1c(Cc2cc(Cl)cc(c2O)S(=O)(=O)O)cc(Cl)cc1S(=O)(=O)O,"InChI=1/C13H10Cl2O8S2/c14-8-2-6(12(16)10(4-8)24(18,19)20)1-7-3-9(15)5-11(13(7)17)25(21,22)23/h2-5,16-17H,1H2,(H,18,19,20)(H,21,22,23)",C13H10Cl2O8S2,,,,,,BWTRVQLOHGVPIN-UHFFFAOYSA-N,,,,,,,,,,,
100.064.601,271-083-0,68515-41-3,"1,2-Benzenedicarboxylic acid, di-C7-9-branched and linear alkyl esters",bis(3-ethyl-2-methylpentyl) phthalate,CCC(CC)C(C)COC(=O)c1ccccc1C(=O)OCC(C)C(CC)CC,CCC(CC)C(C)COC(=O)c1ccccc1C(=O)OCC(C)C(CC)CC,"InChI=1/C24H38O4/c1-7-19(8-2)17(5)15-27-23(25)21-13-11-12-14-22(21)24(26)28-16-18(6)20(9-3)10-4/h11-14,17-20H,7-10,15-16H2,1-6H3",-,,,,,,KRGVDPMPDFERJD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.908,274-722-1,70653-29-1,[(4-methoxyphenyl)methyl] hydrogen [4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]malonate,3-[(4-methoxybenzyl)oxy]-3-oxo-2-[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]propanoic acid,COc1ccc(COC(=O)C(C(=O)O)c2ccc(OC3CCCCO3)cc2)cc1,COc1ccc(COC(=O)C(C(=O)O)c2ccc(OC3CCCCO3)cc2)cc1,"InChI=1/C22H24O7/c1-26-17-9-5-15(6-10-17)14-28-22(25)20(21(23)24)16-7-11-18(12-8-16)29-19-4-2-3-13-27-19/h5-12,19-20H,2-4,13-14H2,1H3,(H,23,24)",C22H24O7,,,,,,WSXXVZZKAKUJEO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.909,274-723-7,70653-54-2,Benzhydryl 7-[[2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,diphenylmethyl 7-({2-(4-hydroxyphenyl)-3-[(4-methoxybenzyl)oxy]-3-oxopropanoyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,COc1ccc(COC(=O)C(C(=O)NC2(OC)C3OCC(=C(N3C2=O)C(=O)OC(c4ccccc4)c5ccccc5)CSc6nnnn6C)c7ccc(O)cc7)cc1,COc1ccc(COC(=O)C(C(=O)NC2(OC)C3OCC(=C(N3C2=O)C(=O)OC(c4ccccc4)c5ccccc5)CSc6nnnn6C)c7ccc(O)cc7)cc1,"InChI=1/C41H38N6O10S/c1-46-40(43-44-45-46)58-24-29-23-56-39-41(54-3,38(52)47(39)33(29)37(51)57-34(27-10-6-4-7-11-27)28-12-8-5-9-13-28)42-35(49)32(26-16-18-30(48)19-17-26)36(50)55-22-25-14-20-31(53-2)21-15-25/h4-21,32,34,39,48H,22-24H2,1-3H3,(H,42,49)",C41H38N6O10S,,,,,,TYTWNEXLMSXPBY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.912,274-726-3,70660-46-7,"4-[[2-amino-4-hydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-({2-amino-4-hydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonic acid",Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O)c(N)c4N=Nc3ccc(cc3)[N+]([O-])=O)N=Nc5cc(cc([N+]([O-])=O)c5O)[N+]([O-])=O,Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O)c(N)c4N=Nc3ccc(cc3)[N+]([O-])=O)N=Nc5cc(cc([N+]([O-])=O)c5O)[N+]([O-])=O,"InChI=1/C28H18N10O15S2/c29-25-19(32-31-18-9-16(54(48,49)50)5-12-6-17(55(51,52)53)10-23(39)24(12)18)11-21(28(41)26(25)35-30-13-1-3-14(4-2-13)36(42)43)34-33-20-7-15(37(44)45)8-22(27(20)40)38(46)47/h1-11,39-41H,29H2,(H,48,49,50)(H,51,52,53)",C28H18N10O15S2,,,,,,RPJPUAFITPRDCK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.914,274-728-4,70660-48-9,"2-[butyl(3-methylphenyl)amino]ethyl (3,4-dichlorophenyl)carbamate","2-[butyl(3-methylphenyl)amino]ethyl (3,4-dichlorophenyl)carbamate",CCCCN(CCOC(=O)Nc1ccc(Cl)c(Cl)c1)c2cccc(C)c2,CCCCN(CCOC(=O)Nc1ccc(Cl)c(Cl)c1)c2cccc(C)c2,"InChI=1/C20H24Cl2N2O2/c1-3-4-10-24(17-7-5-6-15(2)13-17)11-12-26-20(25)23-16-8-9-18(21)19(22)14-16/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,23,25)",C20H24Cl2N2O2,,,,,,IBUXMXQANREFOV-UHFFFAOYSA-N,,,,,,,,,,,
100.067.915,274-730-5,70660-52-5,"4,4'-iminobisbenzenediazonium bis(trichlorozincate)","4,4'-iminodibenzenediazonium bis[trichlorozincate(1-)]",Cl[Zn-](Cl)Cl.Cl[Zn-](Cl)Cl.N#[N+]c1ccc(Nc2ccc(cc2)[N+]#N)cc1,Cl[Zn-](Cl)Cl.Cl[Zn-](Cl)Cl.N#[N+]c1ccc(Nc2ccc(cc2)[N+]#N)cc1,"InChI=1/C12H9N5.6ClH.2Zn/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;;;;;;;;/h1-8,15H;6*1H;;/q+2;;;;;;;2*+2/p-6/rC12H9N5.2Cl3Zn/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;2*1-4(2)3/h1-8,15H;;/q+2;2*-1",C12H9N5.2Cl3Zn,,,,,,FORWEMGGHSBSHJ-UHFFFAOYSA-H,,,,,,,,,,,
100.067.919,274-734-7,70660-56-9,4-anilino-N-butyl-3-nitrobenzenesulphonamide,4-anilino-N-butyl-3-nitrobenzenesulfonamide,CCCCNS(=O)(=O)c1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-],CCCCNS(=O)(=O)c1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-],"InChI=1/C16H19N3O4S/c1-2-3-11-17-24(22,23)14-9-10-15(16(12-14)19(20)21)18-13-7-5-4-6-8-13/h4-10,12,17-18H,2-3,11H2,1H3",C16H19N3O4S,,,,,,QXBHALGSANZZJB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.932,274-748-3,70682-68-7,"Diethyl sulphate, compound with N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]octadecanamide (1:1)",diethyl sulfate - N-{2-[(2-cyanoethyl){2-[(2-cyanoethyl)amino]ethyl}amino]ethyl}octadecanamide (1:1),CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N.CCOS(=O)(=O)OCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N.CCOS(=O)(=O)OCC,"InChI=1/C28H53N5O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(34)32-24-27-33(25-18-21-30)26-23-31-22-17-20-29;1-3-7-9(5,6)8-4-2/h31H,2-19,22-27H2,1H3,(H,32,34);3-4H2,1-2H3",C28H53N5O.C4H10O4S,,,,,,NYVBZUNUTNXUPO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.936,274-753-0,70682-72-3,Tetradecyl benzoate,tetradecyl benzoate,CCCCCCCCCCCCCCOC(=O)c1ccccc1,CCCCCCCCCCCCCCOC(=O)c1ccccc1,"InChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3",C21H34O2,,,,,,YQOBYINWABKLFC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.892,281-305-8,83918-70-1,"Tris[(3,7-dimethyl-6-octenyl)oxy]methylsilane","{tris[(3,7-dimethyloct-6-en-1-yl)oxy]methyl}silane",CC(CCOC([SiH3])(OCCC(C)CCC=C(C)C)OCCC(C)CCC=C(C)C)CCC=C(C)C,CC(CCOC([SiH3])(OCCC(C)CCC=C(C)C)OCCC(C)CCC=C(C)C)CCC=C(C)C,"InChI=1/C31H60O3Si/c1-25(2)13-10-16-28(7)19-22-32-31(35,33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h13-15,28-30H,10-12,16-24H2,1-9,35H3",C31H60O3Si,,,,,,UBKAXBLRBNFDIN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.336,282-896-5,84455-34-5,"5-[(4,8-disulpho-2-naphthyl)azo]salicylic acid","5-[(4,8-disulfo-2-naphthyl)diazenyl]-2-hydroxybenzoic acid",O=C(O)c1cc(ccc1O)N=Nc3cc2c(cccc2c(c3)S(O)(=O)=O)S(O)(=O)=O,O=C(O)c1cc(ccc1O)N=Nc3cc2c(cccc2c(c3)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C17H12N2O9S2/c20-14-5-4-9(6-13(14)17(21)22)18-19-10-7-12-11(16(8-10)30(26,27)28)2-1-3-15(12)29(23,24)25/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28)",C17H12N2O9S2,,,,,,VKENSDHOFBIEGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.338,282-898-6,84455-36-7,"2-[(2,2-dimethoxyethyl)thio]-1,1,1-trifluoroethane","2-[(2,2-dimethoxyethyl)sulfanyl]-1,1,1-trifluoroethane",COC(CSCC(F)(F)F)OC,COC(CSCC(F)(F)F)OC,"InChI=1/C6H11F3O2S/c1-10-5(11-2)3-12-4-6(7,8)9/h5H,3-4H2,1-2H3",C6H11F3O2S,,,,,,AMQYICAOQAOBSI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.339,282-899-1,84455-37-8,"(2,4,6-trimethylbenzoyl)bis(o-tolyl)phosphine oxide",(mesitylcarbonyl)[bis(2-methylphenyl)]phosphine oxide,Cc1cc(C)c(C(=O)P(=O)(c2ccccc2C)c3ccccc3C)c(C)c1,Cc1cc(C)c(C(=O)P(=O)(c2ccccc2C)c3ccccc3C)c(C)c1,"InChI=1/C24H25O2P/c1-16-14-19(4)23(20(5)15-16)24(25)27(26,21-12-8-6-10-17(21)2)22-13-9-7-11-18(22)3/h6-15H,1-5H3",C24H25O2P,,,,,,HTJAVJQJNIBGMU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.342,282-902-6,84455-40-3,"6,13-dichloro-3,10-bis[[2-[[4-chloro-6-[(2,4-disulphophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]triphenodioxazine-4,11-disulphonic acid","6,13-dichloro-3,10-bis{[2-({4-chloro-6-[(2,4-disulfophenyl)amino]-1,3,5-triazin-2-yl}amino)ethyl]amino}[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",OS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCNc3ccc4N=C5C(=C6Oc7c(ccc(NCCNc8nc(Cl)nc(Nc9ccc(cc9S(=O)(=O)O)S(=O)(=O)O)n8)c7S(=O)(=O)O)N=C6C(=C5Oc4c3S(=O)(=O)O)Cl)Cl)n2)c(c1)S(=O)(=O)O,OS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCNc3ccc4N=C5C(=C6Oc7c(ccc(NCCNc8nc(Cl)nc(Nc9ccc(cc9S(=O)(=O)O)S(=O)(=O)O)n8)c7S(=O)(=O)O)N=C6C(=C5Oc4c3S(=O)(=O)O)Cl)Cl)n2)c(c1)S(=O)(=O)O,"InChI=1/C40H30Cl4N14O20S6/c41-25-28-32(78-30-20(50-28)6-8-22(34(30)84(74,75)76)46-10-12-48-38-54-36(44)56-40(58-38)52-18-4-2-16(80(62,63)64)14-24(18)82(68,69)70)26(42)27-31(25)77-29-19(49-27)5-7-21(33(29)83(71,72)73)45-9-11-47-37-53-35(43)55-39(57-37)51-17-3-1-15(79(59,60)61)13-23(17)81(65,66)67/h1-8,13-14,45-46H,9-12H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,47,51,53,55,57)(H2,48,52,54,56,58)",C40H30Cl4N14O20S6,,,,,,KNSIUPJENVIPLE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.347,282-907-3,84461-21-2,Isopropylammonium p-toluenesulphonate,propan-2-aminium 4-methylbenzenesulfonate,CC(C)[NH3+].Cc1ccc(cc1)S(=O)(=O)[O-],CC(C)[NH3+].Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C7H8O3S.C3H9N/c1-6-2-4-7(5-3-6)11(8,9)10;1-3(2)4/h2-5H,1H3,(H,8,9,10);3H,4H2,1-2H3",C7H8O3S.C3H9N,,,,,,CGQNVKGUSGZQJA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.351,282-912-0,84473-58-5,"1,2,4,5-tetrabromo-3,6-bis[(2,4,6-tribromophenoxy)methyl]benzene","1,2,4,5-tetrabromo-3,6-bis[(2,4,6-tribromophenoxy)methyl]benzene",Brc1cc(Br)c(OCc2c(Br)c(Br)c(COc3c(Br)cc(Br)cc3Br)c(Br)c2Br)c(Br)c1,Brc1cc(Br)c(OCc2c(Br)c(Br)c(COc3c(Br)cc(Br)cc3Br)c(Br)c2Br)c(Br)c1,"InChI=1/C20H8Br10O2/c21-7-1-11(23)19(12(24)2-7)31-5-9-15(27)17(29)10(18(30)16(9)28)6-32-20-13(25)3-8(22)4-14(20)26/h1-4H,5-6H2",C20H8Br10O2,,,,,,NVJQEKQKJFEBBS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.352,282-913-6,84473-59-6,"1,2,3,4-tetrahydro-4-phenylpyridinium chloride","4-phenyl-1,2,3,4-tetrahydropyridinium chloride",[Cl-].C1CC(C=C[NH2+]1)c2ccccc2,[Cl-].C1CC(C=C[NH2+]1)c2ccccc2,"InChI=1/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,8,11-12H,7,9H2;1H",C11H13N.ClH,,,,,,JBZWJMSEWXZHOS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.358,282-919-9,84473-65-4,"Phenethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",dihydrogen 2-phenylethanaminium citrate,[NH3+]CCc1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH3+]CCc1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C8H11N.C6H8O7/c9-7-6-8-4-2-1-3-5-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-5H,6-7,9H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C8H11N.C6H8O7,,,,,,CTBJILANYAWODF-UHFFFAOYSA-L,,,,,,,,,,,
100.075.360,282-922-5,84473-67-6,S-[2-(4-methyl-5-oxo-3-cyclohexen-1-yl)propyl] ethanethioate,S-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propyl] ethanethioate,CC(CSC(=O)C)C1CC=C(C)C(=O)C1,CC(CSC(=O)C)C1CC=C(C)C(=O)C1,"InChI=1/C12H18O2S/c1-8-4-5-11(6-12(8)14)9(2)7-15-10(3)13/h4,9,11H,5-7H2,1-3H3",C12H18O2S,,,,,,JJZIVRQXLDKOHI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.366,282-928-8,84473-74-5,"2,4-bis(dimethoxymethyl)-2,4-bis(hydroxymethyl)pentane-1,5-diol","2,4-bis(dimethoxymethyl)-2,4-bis(hydroxymethyl)pentane-1,5-diol",COC(OC)C(CO)(CO)CC(CO)(CO)C(OC)OC,COC(OC)C(CO)(CO)CC(CO)(CO)C(OC)OC,"InChI=1/C13H28O8/c1-18-10(19-2)12(6-14,7-15)5-13(8-16,9-17)11(20-3)21-4/h10-11,14-17H,5-9H2,1-4H3",C13H28O8,,,,,,JBUSMVXKDCJQPS-UHFFFAOYSA-N,,,,,,,,,,,
100.053.146,258-479-9,53332-28-8,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]L-serine, compound with cyclohexylamine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-serine - cyclohexanamine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CO)C(=O)O.NC3CCCCC3,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CO)C(=O)O.NC3CCCCC3,"InChI=1/C15H18N2O5S.C6H13N/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20;7-6-4-2-1-3-5-6/h3-8,12,16,18H,9H2,1-2H3,(H,19,20);6H,1-5,7H2",C15H18N2O5S.C6H13N,,,,,,NEVMXASXEDTEQO-YDALLXLXSA-N,,,,,,,,,,,
100.053.152,258-486-7,53334-09-1,2-[[3-(dimethylamino)propyl]amino]ethanol,2-{[3-(dimethylamino)propyl]amino}ethanol,CN(C)CCCNCCO,CN(C)CCCNCCO,"InChI=1/C7H18N2O/c1-9(2)6-3-4-8-5-7-10/h8,10H,3-7H2,1-2H3",C7H18N2O,,,,,,DTZQQHRKVWXQPP-UHFFFAOYSA-N,,,,,,,,,,,
100.053.153,258-487-2,53338-05-9,"4,7-dihydro-2-methyl-2-(3-methylbutyl)-1,3-dioxepin","2-methyl-2-(3-methylbutyl)-4,7-dihydro-1,3-dioxepine",CC(C)CCC1(C)OCC=CCO1,CC(C)CCC1(C)OCC=CCO1,"InChI=1/C11H20O2/c1-10(2)6-7-11(3)12-8-4-5-9-13-11/h4-5,10H,6-9H2,1-3H3",C11H20O2,,,,,,FFANAZFONFVGKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.082,278-214-0,75457-52-2,"2-ethylhexyl 4-(3-butoxy-3-oxopropyl)-10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 4-(3-butoxy-3-oxopropyl)-10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCOC(=O)CC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCOC(=O)CC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/3C10H20O2S.C7H13O2.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-5-6-9-7(8)4-2;/h3*9,13H,3-8H2,1-2H3;2-6H2,1H3;/q;;;;+3/p-3/rC37H70O8S3Sn/c1-8-15-19-31(12-5)25-43-35(39)28-46-49(24-22-34(38)42-23-18-11-4,47-29-36(40)44-26-32(13-6)20-16-9-2)48-30-37(41)45-27-33(14-7)21-17-10-3/h31-33H,8-30H2,1-7H3",C37H70O8S3Sn,,,,,,PHBVTDBCMMRERU-UHFFFAOYSA-K,,,,,,,,,,,
100.071.084,278-216-1,75462-59-8,"1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene","1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene",FC(F)(F)c1cc(CCl)cc(c1)C(F)(F)F,FC(F)(F)c1cc(CCl)cc(c1)C(F)(F)F,"InChI=1/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2",C9H5ClF6,,,,,,OINTXXMBRBLMHH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.089,278-221-9,75489-87-1,3'-deoxycytidine sulphate,3'-deoxycytidine sulfate,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)C[C@H]2O.OS(=O)(=O)O,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)C[C@H]2O.OS(=O)(=O)O,"InChI=1/C9H13N3O4.H2O4S/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8;1-5(2,3)4/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);(H2,1,2,3,4)",C9H13N3O4.xH2O4S,,,,,,PEKHEHDHQSGRKC-OERIEOFYSA-N,,,,,,,,,,,
100.071.091,278-224-5,75507-26-5,"1,4,7,10-tetraoxacyclododecane-2-methanol","1,4,7,10-tetraoxacyclododecan-2-ylmethanol",OCC1COCCOCCOCCO1,OCC1COCCOCCOCCO1,"InChI=1/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2",C9H18O5,,,,,,NJIPEIQHUNDGPY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.109,278-243-9,75531-54-3,"10-methoxy-1,5,10-trimethyldodeca-1,5-diene","1-ethyl-1,6-dimethylundeca-5,9-dien-1-yl methyl ether",COC(C)(CCCC=C(C)CCC=CC)CC,COC(C)(CCCC=C(C)CCC=CC)CC,"InChI=1/C16H30O/c1-6-8-9-12-15(3)13-10-11-14-16(4,7-2)17-5/h6,8,13H,7,9-12,14H2,1-5H3",C16H28O,,,,,,WZXXUCGWWVCQNM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.114,278-249-1,75535-20-5,"3-[(1,3-diallyl-1,3-dihydro-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-3,9-dihydro-2,4-dimethyl-9-oxopyrazolo[5,1-b]quinazolinium toluene-p-sulphonate","3-[2-(1,3-diallyl-1,3-dihydro-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-2,4-dimethyl-9-oxo-4,9-dihydro-3H-pyrazolo[5,1-b]quinazolin-10-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.C=CCN\\5c1nc6ccccc6nc1N(CC=C)C/5=C\\C=C2C\\4=[N+](/N=C2/C)C(=O)c3ccccc3N/4C,[O-]S(=O)(=O)c1ccc(C)cc1.C=CCN\5c1nc6ccccc6nc1N(CC=C)C/5=C\C=C2C\4=[N+](/N=C2/C)C(=O)c3ccccc3N/4C,"InChI=1/C29H26N7O.C7H8O3S/c1-5-17-34-25(35(18-6-2)27-26(34)30-22-12-8-9-13-23(22)31-27)16-15-20-19(3)32-36-28(20)33(4)24-14-10-7-11-21(24)29(36)37;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,1-2,17-18H2,3-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C29H26N7O.C7H7O3S,,,,,,GLCQTZIXBGRCLR-UHFFFAOYSA-M,,,,,,,,,,,
100.046.468,251-131-7,32634-66-5,"[R(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid","2,3-bis[(4-methylbenzoyl)oxy]succinic acid",Cc1ccc(cc1)C(=O)OC(C(OC(=O)c2ccc(C)cc2)C(=O)O)C(=O)O,Cc1ccc(cc1)C(=O)OC(C(OC(=O)c2ccc(C)cc2)C(=O)O)C(=O)O,"InChI=1/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)",C20H18O8,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18038,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.468,CMIBUZBMZCBCAT-UHFFFAOYSA-N,,,,,,,,,,,
100.046.472,251-135-9,32643-00-8,Butyl 3-aminosulphonyl-5-butylamino-4-phenoxybenzoate,butyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate,CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)OCCCC,CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)OCCCC,"InChI=1/C21H28N2O5S/c1-3-5-12-23-18-14-16(21(24)27-13-6-4-2)15-19(29(22,25)26)20(18)28-17-10-8-7-9-11-17/h7-11,14-15,23H,3-6,12-13H2,1-2H3,(H2,22,25,26)",C21H28N2O5S,,,,,,FUBXAOXPLXHBPG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.479,251-143-2,32657-12-8,"S,S-bis[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl] terephthalate","S~1~,S~4~-bis(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) benzene-1,4-dicarbothioate",Cc1cc(c(O)c(C)c1CSC(=O)c2ccc(cc2)C(=O)SCc3c(C)cc(c(O)c3C)C(C)(C)C)C(C)(C)C,Cc1cc(c(O)c(C)c1CSC(=O)c2ccc(cc2)C(=O)SCc3c(C)cc(c(O)c3C)C(C)(C)C)C(C)(C)C,"InChI=1/C34H42O4S2/c1-19-15-27(33(5,6)7)29(35)21(3)25(19)17-39-31(37)23-11-13-24(14-12-23)32(38)40-18-26-20(2)16-28(34(8,9)10)30(36)22(26)4/h11-16,35-36H,17-18H2,1-10H3",C34H42O4S2,,,,,,IBNAEPDYNMYGQK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.088,279-321-5,79832-56-7,3-hydroxy-4-[[4-[6-[[2-hydroxy-3-[(phenylamino)carbonyl]naphthyl]azo]benzoxazol-2-yl]phenyl]azo]-N-phenylnaphthalene-2-carboxamide,"3-hydroxy-4-{[4-(6-{[2-hydroxy-3-(phenylcarbamoyl)-1-naphthyl]diazenyl}-1,3-benzoxazol-2-yl)phenyl]diazenyl}-N-phenyl-2-naphthamide",O=C(Nc1ccccc1)c9cc2ccccc2c(N=Nc3ccc(cc3)c4nc5ccc(cc5o4)N=Nc7c8ccccc8cc(C(=O)Nc6ccccc6)c7O)c9O,O=C(Nc1ccccc1)c9cc2ccccc2c(N=Nc3ccc(cc3)c4nc5ccc(cc5o4)N=Nc7c8ccccc8cc(C(=O)Nc6ccccc6)c7O)c9O,"InChI=1/C47H31N7O5/c55-43-37(45(57)48-31-13-3-1-4-14-31)25-29-11-7-9-17-35(29)41(43)53-51-33-21-19-28(20-22-33)47-50-39-24-23-34(27-40(39)59-47)52-54-42-36-18-10-8-12-30(36)26-38(44(42)56)46(58)49-32-15-5-2-6-16-32/h1-27,55-56H,(H,48,57)(H,49,58)",C47H31N7O5,,,,,,ZOWUFUYWSKWDTP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.096,279-329-9,79873-33-9,Ammonium 8-(p-tolylamino)naphthalene-1-sulphonate,ammonium 8-[(4-methylphenyl)amino]naphthalene-1-sulfonate,[NH4+].Cc1ccc(Nc2cccc3cccc(c23)S(=O)(=O)[O-])cc1,[NH4+].Cc1ccc(Nc2cccc3cccc(c23)S(=O)(=O)[O-])cc1,"InChI=1/C17H15NO3S.H3N/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)22(19,20)21;/h2-11,18H,1H3,(H,19,20,21);1H3",C17H15NO3S.H3N,,,,,,AQTVTPZGVJQVIM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.098,279-332-5,79881-85-9,2-hydroxy-3-[(1-methylethyl)amino]propyl (4-methylbenzenesulphonate),2-hydroxy-3-(isopropylamino)propyl 4-methylbenzenesulfonate,CC(C)NCC(O)COS(=O)(=O)c1ccc(C)cc1,CC(C)NCC(O)COS(=O)(=O)c1ccc(C)cc1,"InChI=1/C13H21NO4S/c1-10(2)14-8-12(15)9-18-19(16,17)13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3",C13H21NO4S,,,,,,JKDBIWMKHJPVEV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.107,279-341-4,79893-51-9,"(-)-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidinium chloride","2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidinium chloride",[Cl-].CC[NH+]1CCCC1CCOc2cc(Cl)cc(Cl)c2OC,[Cl-].CC[NH+]1CCCC1CCOc2cc(Cl)cc(Cl)c2OC,"InChI=1/C15H21Cl2NO2.ClH/c1-3-18-7-4-5-12(18)6-8-20-14-10-11(16)9-13(17)15(14)19-2;/h9-10,12H,3-8H2,1-2H3;1H",C15H21Cl2NO2.ClH,,,,,,MWFCGPKABKLWSH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.108,279-343-5,79893-56-4,"(+)-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine","2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine",CCN1CCCC1CCOc2cc(Cl)cc(Cl)c2OC,CCN1CCCC1CCOc2cc(Cl)cc(Cl)c2OC,"InChI=1/C15H21Cl2NO2/c1-3-18-7-4-5-12(18)6-8-20-14-10-11(16)9-13(17)15(14)19-2/h9-10,12H,3-8H2,1-2H3",C15H21Cl2NO2,,,,,,DBARMDUSHJFUOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.652,283-244-2,84583-91-5,"Sulfuric acid, zirconium salt, basic",zirconium(2+) sulfate,[Zr+2].[O-]S(=O)(=O)[O-],[Zr+2].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.Zr/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",-,,,,,,GUYNKEPUWSILOX-UHFFFAOYSA-L,,,,,,,,,,,
100.075.658,283-251-0,84603-14-5,(3-tert-butylphenyl)acetonitrile,(3-tert-butylphenyl)acetonitrile,CC(C)(C)c1cccc(CC#N)c1,CC(C)(C)c1cccc(CC#N)c1,"InChI=1/C12H15N/c1-12(2,3)11-6-4-5-10(9-11)7-8-13/h4-6,9H,7H2,1-3H3",C12H15N,,,,,,MTMAASUQMKRKKW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.892,279-106-6,79181-75-2,"7-(ß-D-galactopyranosyloxy)-N-[4-(hexahydro-4,6-dioxo-5-phenylpyrimidin-5-yl)butyl]-2-oxo-2H-1-benzopyran-3-carboxamide","N-[4-(4,6-dioxo-5-phenylhexahydropyrimidin-5-yl)butyl]-7-(beta-D-galactopyranosyloxy)-2-oxo-2H-chromene-3-carboxamide",OC[C@H]1O[C@@H](Oc2ccc3C=C(C(=O)NCCCCC4(C(=O)NCNC4=O)c5ccccc5)C(=O)Oc3c2)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Oc2ccc3C=C(C(=O)NCCCCC4(C(=O)NCNC4=O)c5ccccc5)C(=O)Oc3c2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C30H33N3O11/c34-14-21-22(35)23(36)24(37)27(44-21)42-18-9-8-16-12-19(26(39)43-20(16)13-18)25(38)31-11-5-4-10-30(17-6-2-1-3-7-17)28(40)32-15-33-29(30)41/h1-3,6-9,12-13,21-24,27,34-37H,4-5,10-11,14-15H2,(H,31,38)(H,32,40)(H,33,41)",C30H33N3O11,,,,,,ZVXDIRJSCSUJEV-CHYHEQJZSA-N,,,,,,,,,,,
100.071.893,279-107-1,79181-90-1,"7-(ß-D-galactopyranosyloxy)-2-oxo-N-[3-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)propyl]-2H-1-benzopyran-3-carboxamide","N-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propyl]-7-(beta-D-galactopyranosyloxy)-2-oxo-2H-chromene-3-carboxamide",CN1C(=O)N(C)c2nc(CCCNC(=O)C3=Cc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4OC3=O)[nH]c2C1=O,CN1C(=O)N(C)c2nc(CCCNC(=O)C3=Cc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4OC3=O)[nH]c2C1=O,"InChI=1/C26H29N5O11/c1-30-21-17(23(37)31(2)26(30)39)28-16(29-21)4-3-7-27-22(36)13-8-11-5-6-12(9-14(11)41-24(13)38)40-25-20(35)19(34)18(33)15(10-32)42-25/h5-6,8-9,15,18-20,25,32-35H,3-4,7,10H2,1-2H3,(H,27,36)(H,28,29)",C26H29N5O11,,,,,,PSHIXQHKZSNFIT-XHOFLWIVSA-N,,,,,,,,,,,
100.071.895,279-109-2,79199-84-1,"(+)-(1a,2ß,5ß)-2-(isopropyl)-5-methylcyclohexyl acetate",2-isopropyl-5-methylcyclohexyl acetate,CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C,CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C,"InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3",C12H22O2,,,,,,XHXUANMFYXWVNG-JLLWLGSASA-N,,,,,,,,,,,
100.071.897,279-111-3,79211-40-8,"2,4,6-triiodobenzene-1,3,5-tricarbonyl trichloride","2,4,6-triiodobenzene-1,3,5-tricarbonyl trichloride",ClC(=O)c1c(I)c(C(=O)Cl)c(I)c(C(=O)Cl)c1I,ClC(=O)c1c(I)c(C(=O)Cl)c(I)c(C(=O)Cl)c1I,InChI=1/C9Cl3I3O3/c10-7(16)1-4(13)2(8(11)17)6(15)3(5(1)14)9(12)18,C9Cl3I3O3,,,,,,UEQABUISLVYURQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.122,279-358-7,79957-95-2,"Chlorodimethyl(2,4,4-trimethylpentyl)silane","chloro(dimethyl)(2,4,4-trimethylpentyl)silane",CC(CC(C)(C)C)C[Si](C)(C)Cl,CC(CC(C)(C)C)C[Si](C)(C)Cl,"InChI=1/C10H23ClSi/c1-9(7-10(2,3)4)8-12(5,6)11/h9H,7-8H2,1-6H3",C10H23ClSi,,,,,,XYMJSYGBKPQLCS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.658,275-547-3,71501-16-1,"Potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate","potassium 1,3-dioxo-1H,3H-benzo[de]isochromene-6-sulfonate",[K+].[O-]S(=O)(=O)c1ccc2C(=O)OC(=O)c3cccc1c23,[K+].[O-]S(=O)(=O)c1ccc2C(=O)OC(=O)c3cccc1c23,"InChI=1/C12H6O6S.K/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;/h1-5H,(H,15,16,17);/q;+1/p-1",C12H6O6S.K,,,,,,WOHXJVJXAWXEQP-UHFFFAOYSA-M,,,,,,,,,,,
100.068.660,275-549-4,71501-19-4,"[4-(2,6,7-trihydroxy-3-oxo-3H-xanthenyl)phenyl]dimethylammonium hydrogen sulphate","N,N-dimethyl-4-(2,6,7-trihydroxy-3-oxo-3H-xanthen-1-yl)anilinium hydrogen sulfate",C[NH+](C)c1ccc(cc1)C2=C(O)C(=O)C=C3Oc4cc(O)c(O)cc4C=C23.[O-]S(=O)(=O)[O-],C[NH+](C)c1ccc(cc1)C2=C(O)C(=O)C=C3Oc4cc(O)c(O)cc4C=C23.[O-]S(=O)(=O)[O-],"InChI=1/C21H17NO5.H2O4S/c1-22(2)13-5-3-11(4-6-13)20-14-7-12-8-15(23)16(24)9-18(12)27-19(14)10-17(25)21(20)26;1-5(2,3)4/h3-10,23-24,26H,1-2H3;(H2,1,2,3,4)/p-1",C21H17NO5.H2O4S,,,,,,YVJPXJIYDRZLQC-UHFFFAOYSA-M,,,,,,,,,,,
100.068.669,275-559-9,71501-30-9,3-amino-2-chloro-3-oxopropionic acid,3-amino-2-chloro-3-oxopropanoic acid,NC(=O)C(Cl)C(=O)O,NC(=O)C(Cl)C(=O)O,"InChI=1/C3H4ClNO3/c4-1(2(5)6)3(7)8/h1H,(H2,5,6)(H,7,8)",C3H4ClNO3,,,,,,WRTQHIZEMSJYQK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.672,275-563-0,71501-35-4,"1-[4-(acetylamino)-3-chlorophenyl]-3-methyl-1H-1,2,4-triazolium methyl sulphate","1-(4-acetamido-3-chlorophenyl)-3-methyl-4H-1,2,4-triazol-1-ium methyl sulfate",COS(=O)(=O)[O-].CC(=O)Nc1ccc(cc1Cl)[n+]2c[nH]c(C)n2,COS(=O)(=O)[O-].CC(=O)Nc1ccc(cc1Cl)[n+]2c[nH]c(C)n2,"InChI=1/C11H11ClN4O.CH4O4S/c1-7-13-6-16(15-7)9-3-4-11(10(12)5-9)14-8(2)17;1-5-6(2,3)4/h3-6H,1-2H3,(H,14,17);1H3,(H,2,3,4)",C11H12ClN4O.CH3O4S,,,,,,USTUWOZDXWOJFC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.675,275-566-7,71501-38-7,1-chloro-4-[[(2-chloroethyl)thio]methyl]benzene,1-chloro-4-{[(2-chloroethyl)sulfanyl]methyl}benzene,ClCCSCc1ccc(Cl)cc1,ClCCSCc1ccc(Cl)cc1,"InChI=1/C9H10Cl2S/c10-5-6-12-7-8-1-3-9(11)4-2-8/h1-4H,5-7H2",C9H10Cl2S,,,,,,HYRQROHDRSJJOK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.677,275-568-8,71501-40-1,2-[[(4-chlorophenyl)methyl]thio]ethanol,2-[(4-chlorobenzyl)sulfanyl]ethanol,OCCSCc1ccc(Cl)cc1,OCCSCc1ccc(Cl)cc1,"InChI=1/C9H11ClOS/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,11H,5-7H2",C9H11ClOS,,,,,,DKNBCVYGWWWYEP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.680,275-571-4,71501-43-4,"1,4-dibutoxy-2-chloronitrobenzene","1,4-dibutoxy-2-chloro-3-nitrobenzene",CCCCOc1ccc(OCCCC)c(c1Cl)[N+](=O)[O-],CCCCOc1ccc(OCCCC)c(c1Cl)[N+](=O)[O-],"InChI=1/C14H20ClNO4/c1-3-5-9-19-11-7-8-12(20-10-6-4-2)14(13(11)15)16(17)18/h7-8H,3-6,9-10H2,1-2H3",C14H20ClNO4,,,,,,MJXACADUQMBDHU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.681,275-573-5,71501-44-5,1-(4-chlorophenyl)cyclopentanecarbonyl chloride,1-(4-chlorophenyl)cyclopentanecarbonyl chloride,ClC(=O)C1(CCCC1)c2ccc(Cl)cc2,ClC(=O)C1(CCCC1)c2ccc(Cl)cc2,"InChI=1/C12H12Cl2O/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2",C12H12Cl2O,,,,,,RZHJJILZUKNEKM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.683,275-575-6,71501-46-7,4-(2-chlorophenyl)piperidin-4-ol,4-(2-chlorophenyl)piperidin-4-ol,OC1(CCNCC1)c2ccccc2Cl,OC1(CCNCC1)c2ccccc2Cl,"InChI=1/C11H14ClNO/c12-10-4-2-1-3-9(10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2",C11H14ClNO,,,,,,AYSRDSVZHJXCLD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.687,275-579-8,71501-51-4,"3'-chloro-4'-methyl[1,1'-biphenyl]-2-carboxylic acid",3'-chloro-4'-methylbiphenyl-2-carboxylic acid,Cc1ccc(cc1Cl)c2ccccc2C(=O)O,Cc1ccc(cc1Cl)c2ccccc2C(=O)O,"InChI=1/C14H11ClO2/c1-9-6-7-10(8-13(9)15)11-4-2-3-5-12(11)14(16)17/h2-8H,1H3,(H,16,17)",C14H11ClO2,,,,,,DZPMRDTXTPOSDG-UHFFFAOYSA-N,,,,,,,,,,,
100.064.405,270-868-5,68479-73-2,"O,O-bis(dodecylphenyl) S-(phenylethyl) dithiophosphate","O,O-bis(2-dodecylphenyl) S-(1-phenylethyl) dithiophosphate",CCCCCCCCCCCCc1ccccc1OP(=S)(Oc2ccccc2CCCCCCCCCCCC)SC(C)c3ccccc3,CCCCCCCCCCCCc1ccccc1OP(=S)(Oc2ccccc2CCCCCCCCCCCC)SC(C)c3ccccc3,"InChI=1/C44H67O2PS2/c1-4-6-8-10-12-14-16-18-20-23-33-41-35-27-29-37-43(41)45-47(48,49-39(3)40-31-25-22-26-32-40)46-44-38-30-28-36-42(44)34-24-21-19-17-15-13-11-9-7-5-2/h22,25-32,35-39H,4-21,23-24,33-34H2,1-3H3",C44H67O2PS2,,,,,,OSJDBBQQIDWTBK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.407,270-870-6,68479-76-5,Ethylenebis[(3-chloro-2-hydroxypropyl)dimethylammonium] dichloride,"N,N'-bis(3-chloro-2-hydroxypropyl)-N,N,N',N'-tetramethylethane-1,2-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(CC[N+](C)(C)CC(O)CCl)CC(O)CCl,[Cl-].[Cl-].C[N+](C)(CC[N+](C)(C)CC(O)CCl)CC(O)CCl,"InChI=1/C12H28Cl2N2O2.2ClH/c1-15(2,9-11(17)7-13)5-6-16(3,4)10-12(18)8-14;;/h11-12,17-18H,5-10H2,1-4H3;2*1H/q+2;;/p-2",C12H28Cl2N2O2.2Cl,,,,,,JPSXYQIMVIXJET-UHFFFAOYSA-L,,,,,,,,,,,
100.064.410,270-873-2,68479-79-8,"Bis(2-methoxyethyl) N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-ß-alaninate","bis(2-methoxyethyl) 3,3'-[(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]dipropanoate (non-preferred name)",COCCOC(=O)CCNc1ccc(O)c2C(=O)c3c(NCCC(=O)OCCOC)ccc(O)c3C(=O)c12,COCCOC(=O)CCNc1ccc(O)c2C(=O)c3c(NCCC(=O)OCCOC)ccc(O)c3C(=O)c12,"InChI=1/C26H30N2O10/c1-35-11-13-37-19(31)7-9-27-15-3-5-17(29)23-21(15)25(33)24-18(30)6-4-16(22(24)26(23)34)28-10-8-20(32)38-14-12-36-2/h3-6,27-30H,7-14H2,1-2H3",C26H30N2O10,,,,,,YVEWFPRYDOIMKL-UHFFFAOYSA-N,,,,,,,,,,,
100.064.415,270-879-5,68479-99-2,"a,2,2-trimethyl-6-methylenecyclohexylpropyl acetate","1,2,2-trimethyl-1-(2-methylenecyclohexyl)propyl acetate",CC(=O)OC(C)(C1CCCCC1=C)C(C)(C)C,CC(=O)OC(C)(C1CCCCC1=C)C(C)(C)C,"InChI=1/C15H26O2/c1-11-9-7-8-10-13(11)15(6,14(3,4)5)17-12(2)16/h13H,1,7-10H2,2-6H3",C15H26O2,,,,,,JPCFHOIMWPCQHG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.345,285-110-9,85029-86-3,Sodium bis(dinonylphenyl) sulphate,-,[Na+].CCCCCCCCCc1cccc(OS(=O)(=O)Oc2cccc(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC,[Na+].CCCCCCCCCc1cccc(OS(=O)(=O)Oc2cccc(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC,"InChI=1/C48H82O4S.Na/c1-5-9-13-17-21-25-29-35-43-37-33-41-47(45(43)39-31-27-23-19-15-11-7-3)51-53(49,50)52-48-42-34-38-44(36-30-26-22-18-14-10-6-2)46(48)40-32-28-24-20-16-12-8-4;/h33-34,37-38,41-42H,5-32,35-36,39-40H2,1-4H3;/q;+1",C24H42O4S.Na,,,,,,DPLZTGACWCVRJT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.355,285-121-9,85029-98-7,"Azelaic acid, compound with 2,2'-iminodiethanol (1:2)","nonanedioic acid - 2,2'-iminodiethanol (1:2)",OCCNCCO.OCCNCCO.OC(=O)CCCCCCCC(=O)O,OCCNCCO.OCCNCCO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.2C4H11NO2/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*6-3-1-5-2-4-7/h1-7H2,(H,10,11)(H,12,13);2*5-7H,1-4H2",C9H16O4.2C4H11NO2,,,,,,JRHMBAJQIGOZIA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.356,285-122-4,85029-99-8,"Undecanedioic acid, compound with 2,2'-iminodiethanol (1:2)","undecanedioic acid - 2,2'-iminodiethanol (1:2)",OCCNCCO.OCCNCCO.OC(=O)CCCCCCCCCC(=O)O,OCCNCCO.OCCNCCO.OC(=O)CCCCCCCCCC(=O)O,"InChI=1/C11H20O4.2C4H11NO2/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;2*6-3-1-5-2-4-7/h1-9H2,(H,12,13)(H,14,15);2*5-7H,1-4H2",C11H20O4.2C4H11NO2,,,,,,QEAXZXZNQAOHFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.357,285-124-5,85030-00-8,Bis[tris(2-hydroxyethyl)ammonium] glutarate,"bis[2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium] glutarate",OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCCC(=O)[O-],OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCCC(=O)[O-],"InChI=1/2C6H15NO3.C5H8O4/c2*8-4-1-7(2-5-9)3-6-10;6-4(7)2-1-3-5(8)9/h2*8-10H,1-6H2;1-3H2,(H,6,7)(H,8,9)",C6H15NO3.1/2C5H8O4,,,,,,SKYCFXHOZFMRBO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.365,285-132-9,85030-08-6,"Dodecanedioic acid, compound with 2,2',2''-nitrilotriethanol (1:2)","dodecanedioic acid - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCCCC(=O)O,OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C12H22O4.2C6H15NO3/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;2*8-4-1-7(2-5-9)3-6-10/h1-10H2,(H,13,14)(H,15,16);2*8-10H,1-6H2",C12H22O4.2C6H15NO3,,,,,,ONJCEWDYMQEPNH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.367,285-135-5,85030-10-0,"2-[2-(dimethylamino)isopropyl]-1,2-benzisothiazol-3(2H)-one","2-[2-(dimethylamino)-1-methylethyl]-1,2-benzisothiazol-3(2H)-one",CC(CN(C)C)N1Sc2ccccc2C1=O,CC(CN(C)C)N1Sc2ccccc2C1=O,"InChI=1/C12H16N2OS/c1-9(8-13(2)3)14-12(15)10-6-4-5-7-11(10)16-14/h4-7,9H,8H2,1-3H3",C12H16N2OS,,,,,,KUWYBHQNQPKOCD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.374,285-142-3,85030-17-7,"1,5-dimethylhex-4-enyl isobutyrate","1,5-dimethylhex-4-en-1-yl 2-methylpropanoate",CC(C)C(=O)OC(C)CCC=C(C)C,CC(C)C(=O)OC(C)CCC=C(C)C,"InChI=1/C12H22O2/c1-9(2)7-6-8-11(5)14-12(13)10(3)4/h7,10-11H,6,8H2,1-5H3",C12H22O2,,,,,,CWJWFQLLHBGAOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.486,280-857-7,83803-40-1,"2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3,6-dimethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]-3,6-dimethylbenzoxazolium iodide","2-[3-(3,6-dimethyl-1,3-benzoxazol-2(3H)-ylidene)-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-1-en-1-yl]-3,6-dimethyl-1,3-benzoxazol-3-ium iodide",[I-].C[n+]5c6ccc(C)cc6oc5C=C(C=C2Oc1cc(C)ccc1N2C)C\\4=C(/C)N(C)N(c3ccccc3)C/4=O,[I-].C[n+]5c6ccc(C)cc6oc5C=C(C=C2Oc1cc(C)ccc1N2C)C\4=C(/C)N(C)N(c3ccccc3)C/4=O,"InChI=1/C32H31N4O3.HI/c1-20-12-14-25-27(16-20)38-29(33(25)4)18-23(19-30-34(5)26-15-13-21(2)17-28(26)39-30)31-22(3)35(6)36(32(31)37)24-10-8-7-9-11-24;/h7-19H,1-6H3;1H/q+1;/p-1",C32H31N4O3.I,,,,,,GPVYQDNKNPIAPF-UHFFFAOYSA-M,,,,,,,,,,,
100.073.494,280-866-6,83803-48-9,Benzyl 2-[[[4-(1-methylethyl)phenyl]methylene]amino]benzoate,benzyl 2-[(4-isopropylbenzylidene)amino]benzoate,CC(C)c3ccc(C=Nc2ccccc2C(=O)OCc1ccccc1)cc3,CC(C)c3ccc(C=Nc2ccccc2C(=O)OCc1ccccc1)cc3,"InChI=1/C24H23NO2/c1-18(2)21-14-12-19(13-15-21)16-25-23-11-7-6-10-22(23)24(26)27-17-20-8-4-3-5-9-20/h3-16,18H,17H2,1-2H3",C24H23NO2,,,,,,GFUMSAICYRSUBU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.134,282-674-8,84282-27-9,Bromoethyl bromopentyl chloroethyl phosphate,1-bromoethyl 1-bromopentyl 1-chloroethyl phosphate,CCCCC(Br)OP(=O)(OC(C)Cl)OC(C)Br,CCCCC(Br)OP(=O)(OC(C)Cl)OC(C)Br,"InChI=1/C9H18Br2ClO4P/c1-4-5-6-9(11)16-17(13,14-7(2)10)15-8(3)12/h7-9H,4-6H2,1-3H3",C9H18Br2ClO4P,,,,,,LWHHGPFJIZSUHT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.143,282-684-2,84282-39-3,"2,6-dimethyl-4-(1-naphthyl)pyrylium hexafluorophosphate","2,6-dimethyl-4-(1-naphthyl)pyrylium hexafluorophosphate",Cc1cc(cc(C)[o+]1)c2cccc3ccccc23.F[P-](F)(F)(F)(F)F,Cc1cc(cc(C)[o+]1)c2cccc3ccccc23.F[P-](F)(F)(F)(F)F,"InChI=1/C17H15O.F6P/c1-12-10-15(11-13(2)18-12)17-9-5-7-14-6-3-4-8-16(14)17;1-7(2,3,4,5)6/h3-11H,1-2H3;/q+1;-1",C17H15O.F6P,,,,,,JJBYJVSAKYUORC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.147,282-688-4,84282-44-0,Isobutyl non-2-ynoate,isobutyl non-2-ynoate,CCCCCCC#CC(=O)OCC(C)C,CCCCCCC#CC(=O)OCC(C)C,"InChI=1/C13H22O2/c1-4-5-6-7-8-9-10-13(14)15-11-12(2)3/h12H,4-8,11H2,1-3H3",C13H22O2,,,,,,TULZIKLJXPEPLR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.150,282-692-6,84282-47-3,"2,5-diamino-4-methylphenol dihydrobromide","2,5-diamino-4-methylphenol dihydrobromide",Br.Br.Cc1cc(N)c(O)cc1N,Br.Br.Cc1cc(N)c(O)cc1N,"InChI=1/C7H10N2O.2BrH/c1-4-2-6(9)7(10)3-5(4)8;;/h2-3,10H,8-9H2,1H3;2*1H",C7H10N2O.2BrH,,,,,,NSPDFRHYMFMWON-UHFFFAOYSA-N,,,,,,,,,,,
100.075.153,282-695-2,84292-15-9,4-methyl-2-propylhex-2-enenitrile,4-methyl-2-propylhex-2-enenitrile,CCC(C)C=C(CCC)C#N,CCC(C)C=C(CCC)C#N,"InChI=1/C10H17N/c1-4-6-10(8-11)7-9(3)5-2/h7,9H,4-6H2,1-3H3",C10H17N,,,,,,FDOXDHROXPVCRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.046.480,251-144-8,32659-21-5,"Ethyl (E)-3,7-dimethylocta-2,6-dienoate","ethyl 3,7-dimethylocta-2,6-dienoate",CCOC(=O)\\C=C(/C)\\CCC=C(C)C,CCOC(=O)\C=C(/C)\CCC=C(C)C,"InChI=1/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3",C12H20O2,,,,,,ZPKNTCZTABQJPS-PKNBQFBNSA-N,,,,,,,,,,,
100.046.484,251-149-5,32673-05-5,"Dihydro-2,2-dimethyl-6H-1,3,2-oxathiastannin-6-one","2,2-dimethyl-1,3,2-oxathiastanninan-6-one",C[Sn]1(C)OC(=O)CCS1,C[Sn]1(C)OC(=O)CCS1,"InChI=1/C3H6O2S.2CH3.Sn/c4-3(5)1-2-6;;;/h6H,1-2H2,(H,4,5);2*1H3;/q;;;+2/p-2/rC5H10O2SSn/c1-9(2)7-5(6)3-4-8-9/h3-4H2,1-2H3",C5H10O2SSn,,,,,,YZWBIXWWOWRJCW-UHFFFAOYSA-L,,,,,,,,,,,
100.046.489,251-154-2,32686-78-5,"Disodium 4-[[4-(2,3-dichloroquinoxaline-6-carboxamido)-2-sulphonatophenyl]azo]-3-methyl-5-oxo-2-pyrazolin-1-acetate","disodium {4-[(4-{[(2,3-dichloroquinoxalin-6-yl)carbonyl]amino}-2-sulfonatophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}acetate",[Na+].[Na+].O=C4C(N=Nc3ccc(NC(=O)c1cc2nc(Cl)c(Cl)nc2cc1)cc3S([O-])(=O)=O)C(\\C)=N/N4CC(=O)[O-],[Na+].[Na+].O=C4C(N=Nc3ccc(NC(=O)c1cc2nc(Cl)c(Cl)nc2cc1)cc3S([O-])(=O)=O)C(\C)=N/N4CC(=O)[O-],"InChI=1/C21H15Cl2N7O7S.2Na/c1-9-17(21(34)30(29-9)8-16(31)32)28-27-13-5-3-11(7-15(13)38(35,36)37)24-20(33)10-2-4-12-14(6-10)26-19(23)18(22)25-12;;/h2-7,17H,8H2,1H3,(H,24,33)(H,31,32)(H,35,36,37);;/q;2*+1/p-2",C21H15Cl2N7O7S.2Na,,,,,,DRALWIRWMZTFQC-UHFFFAOYSA-L,,,,,,,,,,,
100.046.491,251-156-3,32687-78-8,"2',3-bis[[3-[3,5-di-tert-butyl-4-hydroxyphenyl]propionyl]]propionohydrazide","3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide",CC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C34H52N2O4/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12/h17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38)",C34H52N2O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5967,https://echa.europa.eu/substance-information/-/substanceinfo/100.046.491,HCILJBJJZALOAL-UHFFFAOYSA-N,,,,,,,,,,,
100.046.494,251-160-5,32694-71-6,"N,N'-(methylenedicyclohexane-1,4-diyl)distearamide","N,N'-(methylenedicyclohexane-4,1-diyl)dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NC1CCC(CC2CCC(CC2)NC(=O)CCCCCCCCCCCCCCCCC)CC1,CCCCCCCCCCCCCCCCCC(=O)NC1CCC(CC2CCC(CC2)NC(=O)CCCCCCCCCCCCCCCCC)CC1,"InChI=1/C49H94N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-48(52)50-46-39-35-44(36-40-46)43-45-37-41-47(42-38-45)51-49(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44-47H,3-43H2,1-2H3,(H,50,52)(H,51,53)",C49H94N2O2,,,,,,YSPFHOZWZGITKP-UHFFFAOYSA-N,,,,,,,,,,,
100.046.499,251-165-2,32703-79-0,4-tert-butylphthalic anhydride,"5-tert-butyl-2-benzofuran-1,3-dione",CC(C)(C)c1ccc2C(=O)OC(=O)c2c1,CC(C)(C)c1ccc2C(=O)OC(=O)c2c1,"InChI=1/C12H12O3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3",C12H12O3,,,,,,YLJYVKLZVHWUCT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.086,283-725-7,84697-15-4,2-chlorobutyl chloroformate,2-chlorobutyl chlorocarbonate,CCC(Cl)COC(=O)Cl,CCC(Cl)COC(=O)Cl,"InChI=1/C5H8Cl2O2/c1-2-4(6)3-9-5(7)8/h4H,2-3H2,1H3",C5H8Cl2O2,,,,,,AJSFSBHXXNBWPV-UHFFFAOYSA-N,,,,,,,,,,,
100.076.092,283-732-5,84709-11-5,"2,3-dideoxyhexitol","2,3-dideoxyhexitol",OCCCC(O)C(O)CO,OCCCC(O)C(O)CO,"InChI=1/C6H14O4/c7-3-1-2-5(9)6(10)4-8/h5-10H,1-4H2",C6H14O4,,,,,,RLMXGBGAZRVYIX-UHFFFAOYSA-N,,,,,,,,,,,
100.076.115,283-757-1,84712-66-3,(hydroxymethyl)guanidinium sulphamate,amino-N-(hydroxymethyl)iminomethanaminium sulfamate,NC(=N)[NH2+]CO.NS(=O)(=O)[O-],NC(=N)[NH2+]CO.NS(=O)(=O)[O-],"InChI=1/C2H7N3O.H3NO3S/c3-2(4)5-1-6;1-5(2,3)4/h6H,1H2,(H4,3,4,5);(H3,1,2,3,4)",C2H7N3O.H3NO3S,,,,,,HRWPCRFDLRCTEK-UHFFFAOYSA-N,,,,,,,,,,,
100.076.116,283-758-7,84712-67-4,"2-methyl-1,4-bis(2-methylprop-1-enyl)piperazine","2-methyl-1,4-bis(2-methylprop-1-en-1-yl)piperazine",CC1CN(CCN1C=C(C)C)C=C(C)C,CC1CN(CCN1C=C(C)C)C=C(C)C,"InChI=1/C13H24N2/c1-11(2)8-14-6-7-15(9-12(3)4)13(5)10-14/h8-9,13H,6-7,10H2,1-5H3",C13H24N2,,,,,,PMVLPJMSTBKHBP-UHFFFAOYSA-N,,,,,,,,,,,
100.076.118,283-760-8,84712-70-9,"Methyl (Z,Z,Z)-8-dodecyl-8-[(4-methoxy-1,4-dioxobut-2-enyl)oxy]-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate","methyl 8-dodecyl-8-[(4-methoxy-4-oxobut-2-enoyl)oxy]-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OC)(OC(=O)C=CC(=O)OC)CCCCCCCCCCCC)\\C=C/C(=O)OC,O=C(O[Sn](OC(=O)\C=C/C(=O)OC)(OC(=O)C=CC(=O)OC)CCCCCCCCCCCC)\C=C/C(=O)OC,"InChI=1/C12H25.3C5H6O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-9-5(8)3-2-4(6)7;/h1,3-12H2,2H3;3*2-3H,1H3,(H,6,7);/q;;;;+3/p-3/rC27H40O12Sn/c1-5-6-7-8-9-10-11-12-13-14-21-40(37-25(31)18-15-22(28)34-2,38-26(32)19-16-23(29)35-3)39-27(33)20-17-24(30)36-4/h15-20H,5-14,21H2,1-4H3",C27H40O12Sn,,,,,,PHXQJWFRWVXDMN-WYLUVXEQSA-K,,,,,,,,,,,
100.076.119,283-761-3,84712-71-0,Sodium 4-[(ethylanilino)methyl]benzenesulphonate,sodium 4-{[(2-ethylphenyl)amino]methyl}benzenesulfonate,[Na+].CCc1ccccc1NCc2ccc(cc2)S(=O)(=O)[O-],[Na+].CCc1ccccc1NCc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C15H17NO3S.Na/c1-2-13-5-3-4-6-15(13)16-11-12-7-9-14(10-8-12)20(17,18)19;/h3-10,16H,2,11H2,1H3,(H,17,18,19);/q;+1/p-1",C15H17NO3S.Na,,,,,,OBVBDEUGROWXGF-UHFFFAOYSA-M,,,,,,,,,,,
100.076.122,283-765-5,84712-74-3,"6-azido-N-cyclopentyl-N'-ethyl-1,3,5-triazine-2,4-diamine","6-azido-N-cyclopentyl-N'-ethyl-1,3,5-triazine-2,4-diamine",CCNc1nc(NC2CCCC2)nc(N=[N+]=[N-])n1,CCNc1nc(NC2CCCC2)nc(N=[N+]=[N-])n1,"InChI=1/C10H16N8/c1-2-12-8-14-9(13-7-5-3-4-6-7)16-10(15-8)17-18-11/h7H,2-6H2,1H3,(H2,12,13,14,15,16)",C10H16N8,,,,,,ANSCQLLLQHFOLN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.764,281-165-8,83877-99-0,"Magnesium bis[1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene-10-carboxylate]","magnesium bis(1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-11-nitro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene-10-carboxylate)",[Mg+2].[O-]C(=O)c1cc2C3C(C4C(c2cc1[N+](=O)[O-])C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl.[O-]C(=O)c7cc8C9C(C%10C(c8cc7[N+](=O)[O-])C%11(Cl)C(=C(Cl)C%10(Cl)C%11(Cl)Cl)Cl)C%12(Cl)C(=C(Cl)C9(Cl)C%12(Cl)Cl)Cl,[Mg+2].[O-]C(=O)c1cc2C3C(C4C(c2cc1[N+](=O)[O-])C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl.[O-]C(=O)c7cc8C9C(C%10C(c8cc7[N+](=O)[O-])C%11(Cl)C(=C(Cl)C%10(Cl)C%11(Cl)Cl)Cl)C%12(Cl)C(=C(Cl)C9(Cl)C%12(Cl)Cl)Cl,"InChI=1/2C21H7Cl12NO4.Mg/c2*22-11-13(24)18(28)9-7(16(11,26)20(18,30)31)3-1-5(15(35)36)6(34(37)38)2-4(3)8-10(9)19(29)14(25)12(23)17(8,27)21(19,32)33;/h2*1-2,7-10H,(H,35,36);/q;;+2/p-2",C21H7Cl12NO4.1/2Mg,,,,,,ULAGDSKEGOQEPP-UHFFFAOYSA-L,,,,,,,,,,,
100.073.766,281-167-9,83878-01-7,"3,3-dichloro-2,2-dihydroxycyclohexan-1-one","3,3-dichloro-2,2-dihydroxycyclohexanone",OC1(O)C(=O)CCCC1(Cl)Cl,OC1(O)C(=O)CCCC1(Cl)Cl,"InChI=1/C6H8Cl2O3/c7-5(8)3-1-2-4(9)6(5,10)11/h10-11H,1-3H2",C6H8Cl2O3,,,,,,CMFHEHLGXLKUKA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.774,281-176-8,83890-42-0,Dimethyl(octadecyl)phenethylammonium toluene-p-sulphonate,"N,N-dimethyl-N-(2-phenylethyl)octadecan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCCCCCCCCC[N+](C)(C)CCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)CCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C28H52N.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-29(2,3)27-25-28-23-20-19-21-24-28;1-6-2-4-7(5-3-6)11(8,9)10/h19-21,23-24H,4-18,22,25-27H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C28H52N.C7H7O3S,,,,,,RNZDMOKIKRLRSX-UHFFFAOYSA-M,,,,,,,,,,,
100.075.709,283-307-4,84604-29-5,3-aminopyridine-2-butyronitrile,4-(3-aminopyridin-2-yl)butanenitrile,Nc1cccnc1CCCC#N,Nc1cccnc1CCCC#N,"InChI=1/C9H11N3/c10-6-2-1-5-9-8(11)4-3-7-12-9/h3-4,7H,1-2,5,11H2",C9H11N3,,,,,,DYBCZGAECZNGOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.712,283-311-6,84604-32-0,3-chloro-4-(hexahydro-1H-azepin-1-yl)benzenediazonium hexafluorophosphate,4-azepan-1-yl-3-chlorobenzenediazonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.Clc1cc(ccc1N2CCCCCC2)[N+]#N,F[P-](F)(F)(F)(F)F.Clc1cc(ccc1N2CCCCCC2)[N+]#N,"InChI=1/C12H15ClN3.F6P/c13-11-9-10(15-14)5-6-12(11)16-7-3-1-2-4-8-16;1-7(2,3,4,5)6/h5-6,9H,1-4,7-8H2;/q+1;-1",C12H15ClN3.F6P,,,,,,MCLFXNMQLQYWFW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.716,283-315-8,84604-36-4,"3-hydroxy-N,N-bis(2-hydroxyethyl)-4-[[4-(phenylamino)phenyl]azo]naphthalene-2-carboxamide","4-[(4-anilinophenyl)diazenyl]-3-hydroxy-N,N-bis(2-hydroxyethyl)-2-naphthamide",OCCN(CCO)C(=O)c4cc1ccccc1c(N=Nc3ccc(Nc2ccccc2)cc3)c4O,OCCN(CCO)C(=O)c4cc1ccccc1c(N=Nc3ccc(Nc2ccccc2)cc3)c4O,"InChI=1/C27H26N4O4/c32-16-14-31(15-17-33)27(35)24-18-19-6-4-5-9-23(19)25(26(24)34)30-29-22-12-10-21(11-13-22)28-20-7-2-1-3-8-20/h1-13,18,28,32-34H,14-17H2",C27H26N4O4,,,,,,GSDYPODKQKTVJB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.910,279-126-5,79276-19-0,"20,20'-(hexane-1,6-diyl)bis(2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]henicosan-21-one)","20,20'-hexane-1,6-diylbis(2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]henicosan-21-one)",CC1(C)CC2(CC(C)(C)N1)OC3(CCCCCCCCCCC3)N(CCCCCCN4C(=O)C5(CC(C)(C)NC(C)(C)C5)OC46CCCCCCCCCCC6)C2=O,CC1(C)CC2(CC(C)(C)N1)OC3(CCCCCCCCCCC3)N(CCCCCCN4C(=O)C5(CC(C)(C)NC(C)(C)C5)OC46CCCCCCCCCCC6)C2=O,"InChI=1/C50H90N4O4/c1-43(2)37-47(38-44(3,4)51-43)41(55)53(49(57-47)31-25-19-15-11-9-12-16-20-26-32-49)35-29-23-24-30-36-54-42(56)48(39-45(5,6)52-46(7,8)40-48)58-50(54)33-27-21-17-13-10-14-18-22-28-34-50/h51-52H,9-40H2,1-8H3",C50H90N4O4,,,,,,XZPDGDUEKPCZCY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.917,279-133-3,79321-04-3,Neodymium(3+) octanoate,neodymium trioctanoate,[Nd+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Nd+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/3C8H16O2.Nd/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Nd,,,,,,ARWCRSVRKCNEDI-UHFFFAOYSA-K,,,,,,,,,,,
100.071.919,279-135-4,79347-73-2,"a,<U+03B3>,4-trimethylcyclohex-3-ene-1-butyraldehyde",2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentanal,CC(CC(C)C1CCC(=CC1)C)C=O,CC(CC(C)C1CCC(=CC1)C)C=O,"InChI=1/C13H22O/c1-10-4-6-13(7-5-10)12(3)8-11(2)9-14/h4,9,11-13H,5-8H2,1-3H3",C13H22O,,,,,,NFPDNGNDFHNRDX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.920,279-137-5,79356-91-5,"(9Z,12Z,15Z)-9,12,15-octadecatrienamide","octadeca-9,12,15-trienamide",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)N,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)N,"InChI=1/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H2,19,20)",C18H31NO,,,,,,NHUOWASJBBPFMB-PDBXOOCHSA-N,,,,,,,,,,,
100.071.930,279-148-5,79398-16-6,Butyl (R)-2-chloropropionate,butyl 2-chloropropanoate,CCCCOC(=O)[C@@H](C)Cl,CCCCOC(=O)[C@@H](C)Cl,"InChI=1/C7H13ClO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5H2,1-2H3",C7H13ClO2,,,,,,KATNUXHENWPMQJ-ZCFIWIBFSA-N,,,,,,,,,,,
100.071.931,279-149-0,79403-36-4,"(E,E)-tributyl(hexa-2,4-dienoyloxy)stannane","tributyl(hexa-2,4-dienoyloxy)stannane",CCCC[Sn](CCCC)(CCCC)OC(=O)\\C=C\\C=C\\C,CCCC[Sn](CCCC)(CCCC)OC(=O)\C=C\C=C\C,"InChI=1/C6H8O2.3C4H9.Sn/c1-2-3-4-5-6(7)8;3*1-3-4-2;/h2-5H,1H3,(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H34O2Sn/c1-5-9-13-14-18(19)20-21(15-10-6-2,16-11-7-3)17-12-8-4/h5,9,13-14H,6-8,10-12,15-17H2,1-4H3",C18H34O2Sn,,,,,,GCNHNMQPMBJDHL-SZGMPUKLSA-M,,,,,,,,,,,
100.064.417,270-881-6,68480-05-7,"6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-ol","6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-ol",CCC(O)CC=CC1C\\C=C(\\C)C1(C)C,CCC(O)CC=CC1C\C=C(\C)C1(C)C,"InChI=1/C14H24O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6-7,9,12-13,15H,5,8,10H2,1-4H3",C14H24O,,,,,,ZCPKYSNRVOTPBB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.418,270-882-1,68480-06-8,9-decenyl propionate,dec-9-en-1-yl propionate,CCC(=O)OCCCCCCCCC=C,CCC(=O)OCCCCCCCCC=C,"InChI=1/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h3H,1,4-12H2,2H3",C13H24O2,,,,,,HAZMLFDAVHDYKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.160,272-797-5,68912-00-5,"N-(1,3-dioxobutyl)-3-oxo-N-(o-tolyl)butyramide",N-acetoacetyl-N-(2-methylphenyl)-3-oxobutanamide,CC(=O)CC(=O)N(C(=O)CC(=O)C)c1ccccc1C,CC(=O)CC(=O)N(C(=O)CC(=O)C)c1ccccc1C,"InChI=1/C15H17NO4/c1-10-6-4-5-7-13(10)16(14(19)8-11(2)17)15(20)9-12(3)18/h4-7H,8-9H2,1-3H3",C15H17NO4,,,,,,OPJGBIZKNKLMSX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.955,274-774-5,70693-58-2,N-cyclohexyl-N-methyl-2-nitrobenzenesulphonamide,N-cyclohexyl-N-methyl-2-nitrobenzenesulfonamide,CN(C1CCCCC1)S(=O)(=O)c2ccccc2[N+](=O)[O-],CN(C1CCCCC1)S(=O)(=O)c2ccccc2[N+](=O)[O-],"InChI=1/C13H18N2O4S/c1-14(11-7-3-2-4-8-11)20(18,19)13-10-6-5-9-12(13)15(16)17/h5-6,9-11H,2-4,7-8H2,1H3",C13H18N2O4S,,,,,,USBCPCFTYCPFDC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.956,274-775-0,70693-59-3,2-amino-N-cyclohexyl-N-methylbenzenesulphonamide,2-amino-N-cyclohexyl-N-methylbenzenesulfonamide,CN(C1CCCCC1)S(=O)(=O)c2ccccc2N,CN(C1CCCCC1)S(=O)(=O)c2ccccc2N,"InChI=1/C13H20N2O2S/c1-15(11-7-3-2-4-8-11)18(16,17)13-10-6-5-9-12(13)14/h5-6,9-11H,2-4,7-8,14H2,1H3",C13H20N2O2S,,,,,,IPEHSCPRVOWQFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.961,274-780-8,70693-75-3,"Diethyl sulphate, compound with N,N'-[[(2-cyanoethyl)imino]diethylene]bis[octadecanamide] (1:1)","diethyl sulfate - N,N'-{[(2-cyanoethyl)imino]diethane-2,1-diyl}dioctadecanamide (1:1)",CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#N.CCOS(=O)(=O)OCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#N.CCOS(=O)(=O)OCC,"InChI=1/C43H84N4O2.C4H10O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)45-37-40-47(39-33-36-44)41-38-46-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-9(5,6)8-4-2/h3-35,37-41H2,1-2H3,(H,45,48)(H,46,49);3-4H2,1-2H3",C43H84N4O2.C4H10O4S,,,,,,RCLIBJFBPOKHPA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.964,274-783-4,70703-34-3,Strontium 3-hydroxy-4-[[1-(sulphonatomethyl)-2-naphthyl]azo]-2-naphthoate,strontium 3-hydroxy-4-{[1-(sulfonatomethyl)-2-naphthyl]diazenyl}-2-naphthoate,[Sr+2].[O-]S(=O)(=O)Cc3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[Sr+2].[O-]S(=O)(=O)Cc3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C22H16N2O6S.Sr/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30;/h1-11,25H,12H2,(H,26,27)(H,28,29,30);/q;+2/p-2",C22H16N2O6S.Sr,,,,,,JFGVPKUWJDAONQ-UHFFFAOYSA-L,,,,,,,,,,,
100.067.973,274-793-9,70709-94-3,2-(pentadecyloxy)ethanol,2-(pentadecyloxy)ethanol,CCCCCCCCCCCCCCCOCCO,CCCCCCCCCCCCCCCOCCO,"InChI=1/C17H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18/h18H,2-17H2,1H3",C17H36O2,,,,,,VZXORAZVOZRPBU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.974,274-794-4,70710-10-0,2-ethylhexyl bis(2-hydroxyethyl) phosphate,2-ethylhexyl bis(2-hydroxyethyl) phosphate,OCCOP(=O)(OCCO)OCC(CC)CCCC,OCCOP(=O)(OCCO)OCC(CC)CCCC,"InChI=1/C12H27O6P/c1-3-5-6-12(4-2)11-18-19(15,16-9-7-13)17-10-8-14/h12-14H,3-11H2,1-2H3",C12H27O6P,,,,,,IMESRPGINJLXLK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.980,274-801-0,70714-70-4,3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]-2-naphthoic acid,3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-naphthoic acid,COc3cc(ccc3N=Nc1c2ccccc2cc(C(O)=O)c1O)[N+]([O-])=O,COc3cc(ccc3N=Nc1c2ccccc2cc(C(O)=O)c1O)[N+]([O-])=O,"InChI=1/C18H13N3O6/c1-27-15-9-11(21(25)26)6-7-14(15)19-20-16-12-5-3-2-4-10(12)8-13(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24)",C18H13N3O6,,,,,,BPKGQYUDMVTNRG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.983,274-804-7,70714-76-0,Disodium N-(1-oxoallyl)-L-aspartate,disodium 2-(acryloylamino)succinate,[Na+].[Na+].[O-]C(=O)C[C@H](NC(=O)C=C)C(=O)[O-],[Na+].[Na+].[O-]C(=O)C[C@H](NC(=O)C=C)C(=O)[O-],"InChI=1/C7H9NO5.2Na/c1-2-5(9)8-4(7(12)13)3-6(10)11;;/h2,4H,1,3H2,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2",C7H9NO5.2Na,,,,,,BYPTTXMQZBFJBL-FHNDMYTFSA-L,,,,,,,,,,,
100.067.987,274-808-9,70714-83-9,[4-(phenylsulphonyl)phenyl]hydrazine,[4-(phenylsulfonyl)phenyl]hydrazine,NNc1ccc(cc1)S(=O)(=O)c2ccccc2,NNc1ccc(cc1)S(=O)(=O)c2ccccc2,"InChI=1/C12H12N2O2S/c13-14-10-6-8-12(9-7-10)17(15,16)11-4-2-1-3-5-11/h1-9,14H,13H2",C12H12N2O2S,,,,,,TUJNVZMPIUFYFR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.703,275-597-6,71526-83-5,4-chloro-4'-ethylbutyrophenone,4-chloro-1-(4-ethylphenyl)butan-1-one,CCc1ccc(cc1)C(=O)CCCCl,CCc1ccc(cc1)C(=O)CCCCl,"InChI=1/C12H15ClO/c1-2-10-5-7-11(8-6-10)12(14)4-3-9-13/h5-8H,2-4,9H2,1H3",C12H15ClO,,,,,,PTKKOYFXSPTUGB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.904,281-318-9,83929-23-1,Potassium octyl phosphonate,potassium octyl phosphonate,[K+].CCCCCCCCOP(=O)[O-],[K+].CCCCCCCCOP(=O)[O-],"InChI=1/C8H19O3P.K/c1-2-3-4-5-6-7-8-11-12(9)10;/h12H,2-8H2,1H3,(H,9,10);/q;+1/p-1",C8H19O3P.K,,,,,,UCTWQPDKGIAAMV-UHFFFAOYSA-M,,,,,,,,,,,
100.073.910,281-325-7,83929-30-0,"[2-(4-nonylphenoxy)ethyl] hydrogen phosphonate, compound with guanidine (1:1)",2-(4-nonylphenoxy)ethyl hydrogen phosphonate - guanidine (1:1),CCCCCCCCCc1ccc(OCCOP(=O)O)cc1.NC(=N)N,CCCCCCCCCc1ccc(OCCOP(=O)O)cc1.NC(=N)N,"InChI=1/C17H29O4P.CH5N3/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)20-14-15-21-22(18)19;2-1(3)4/h10-13,22H,2-9,14-15H2,1H3,(H,18,19);(H5,2,3,4)",C17H29O4P.CH5N3,,,,,,SCVXVFOAITZFPB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.912,281-327-8,83929-32-2,"1,1'-(4-chloro-1-buten-1-ylidene)bis(4-chlorobenzene)","1,1'-(4-chlorobut-1-ene-1,1-diyl)bis(4-chlorobenzene)",ClCCC=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,ClCCC=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,"InChI=1/C16H13Cl3/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h2-10H,1,11H2",C16H13Cl3,,,,,,ZCWFINABCDPCBV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.913,281-328-3,83929-33-3,1-chloro-4-(4-chloro-1-phenyl-1-butenyl)benzene,1-chloro-4-(4-chloro-1-phenylbut-1-en-1-yl)benzene,Clc1ccc(cc1)C(=CCCCl)c2ccccc2,Clc1ccc(cc1)C(=CCCCl)c2ccccc2,"InChI=1/C16H14Cl2/c17-12-4-7-16(13-5-2-1-3-6-13)14-8-10-15(18)11-9-14/h1-3,5-11H,4,12H2",C16H14Cl2,,,,,,BSZZVSUYBVLMIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.920,281-336-7,83929-40-2,"2-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid","2-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzoic acid",Nc1c(Br)cc(Nc2ccccc2C(=O)O)c3C(=O)c4ccccc4C(=O)c13,Nc1c(Br)cc(Nc2ccccc2C(=O)O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C21H13BrN2O4/c22-13-9-15(24-14-8-4-3-7-12(14)21(27)28)16-17(18(13)23)20(26)11-6-2-1-5-10(11)19(16)25/h1-9,24H,23H2,(H,27,28)",C21H13BrN2O4,,,,,,VXPRZOWVAQRAJK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.926,281-344-0,83929-52-6,"Sodium dihydrogen 3,5-disulphonatobenzoate","sodium dihydrogen 3,5-disulfonatobenzoate",[Na+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C7H6O8S2.Na/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15;/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15);/q;+1/p-3",C7H6O8S2.Na,,,,,,IUPSWFMSAKEOQP-UHFFFAOYSA-K,,,,,,,,,,,
100.073.932,281-350-3,83929-58-2,"Sodium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-8-methylquinoline-6-sulphonate","sodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-8-methylquinoline-6-sulfonate",[Na+].Cc1cc(cc2ccc(nc12)C3C(=O)c4ccccc4C3=O)S(=O)(=O)[O-],[Na+].Cc1cc(cc2ccc(nc12)C3C(=O)c4ccccc4C3=O)S(=O)(=O)[O-],"InChI=1/C19H13NO5S.Na/c1-10-8-12(26(23,24)25)9-11-6-7-15(20-17(10)11)16-18(21)13-4-2-3-5-14(13)19(16)22;/h2-9,16H,1H3,(H,23,24,25);/q;+1/p-1",C19H13NO5S.Na,,,,,,MAPFIYYETAUSIN-UHFFFAOYSA-M,,,,,,,,,,,
100.075.367,282-929-3,84473-75-6,"2-benzyl-4,7-dihydro-1,3-dioxepin","2-benzyl-4,7-dihydro-1,3-dioxepine",C(C1OCC=CCO1)c2ccccc2,C(C1OCC=CCO1)c2ccccc2,"InChI=1/C12H14O2/c1-2-6-11(7-3-1)10-12-13-8-4-5-9-14-12/h1-7,12H,8-10H2",C12H14O2,,,,,,MZZDWTVIULLXSC-UHFFFAOYSA-N,,,,,,,,,,,
100.076.875,284-592-8,84930-12-1,"[(3,3,5-trimethylcyclohexyl)oxy]acetaldehyde","[(3,3,5-trimethylcyclohexyl)oxy]acetaldehyde",CC1CC(CC(C)(C)C1)OCC=O,CC1CC(CC(C)(C)C1)OCC=O,"InChI=1/C11H20O2/c1-9-6-10(13-5-4-12)8-11(2,3)7-9/h4,9-10H,5-8H2,1-3H3",C11H20O2,,,,,,ZLVIQMAJLGHJFG-UHFFFAOYSA-N,,,,,,,,,,,
100.076.876,284-593-3,84930-13-2,(3-phenylpropoxy)acetaldehyde,(3-phenylpropoxy)acetaldehyde,O=CCOCCCc1ccccc1,O=CCOCCCc1ccccc1,"InChI=1/C11H14O2/c12-8-10-13-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8H,4,7,9-10H2",C11H14O2,,,,,,JDTAZEDVMRGLPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.887,284-606-2,84946-04-3,"Diphosphoric acid, compound with (aminoiminomethyl)urea",diphosphoric acid - 1-carbamimidoylurea (1:1),NC(=N)NC(=O)N.OP(=O)(O)OP(=O)(O)O,NC(=N)NC(=O)N.OP(=O)(O)OP(=O)(O)O,"InChI=1/C2H6N4O.H4O7P2/c3-1(4)6-2(5)7;1-8(2,3)7-9(4,5)6/h(H6,3,4,5,6,7);(H2,1,2,3)(H2,4,5,6)",C2H6N4O.xH4O7P2,,,,,,ROTUFYXLQWBGNR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.888,284-607-8,84946-05-4,"Diphosphoric acid, compound with (aminoiminomethyl)urea (1:2)",diphosphoric acid - 1-carbamimidoylurea (1:2),NC(=N)NC(=O)N.NC(=N)NC(=O)N.OP(=O)(O)OP(=O)(O)O,NC(=N)NC(=O)N.NC(=N)NC(=O)N.OP(=O)(O)OP(=O)(O)O,"InChI=1/2C2H6N4O.H4O7P2/c2*3-1(4)6-2(5)7;1-8(2,3)7-9(4,5)6/h2*(H6,3,4,5,6,7);(H2,1,2,3)(H2,4,5,6)",C2H6N4O.1/2H4O7P2,,,,,,HQNJCGTXCCZLPK-UHFFFAOYSA-N,,,,,,,,,,,
100.076.889,284-608-3,84946-06-5,Bis(amidinourea) phosphate,1-carbamimidoylurea phosphate (2:1),NC(=N)NC(=O)N.NC(=N)NC(=O)N.OP(=O)(O)O,NC(=N)NC(=O)N.NC(=N)NC(=O)N.OP(=O)(O)O,"InChI=1/2C2H6N4O.H3O4P/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H3,1,2,3,4)",C2H6N4O.1/2H3O4P,,,,,,VXQOIGCWSSONLY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.895,284-615-1,84946-12-3,Ethyl [2-[(2-chloroethyl)aminocarbonyl]phenyl]carbamate,ethyl {2-[(2-chloroethyl)carbamoyl]phenyl}carbamate,CCOC(=O)Nc1ccccc1C(=O)NCCCl,CCOC(=O)Nc1ccccc1C(=O)NCCCl,"InChI=1/C12H15ClN2O3/c1-2-18-12(17)15-10-6-4-3-5-9(10)11(16)14-8-7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)",C12H15ClN2O3,,,,,,WTMZMXJPRLKVED-UHFFFAOYSA-N,,,,,,,,,,,
100.076.123,283-766-0,84712-75-4,"N-cyclopentyl-N'-methyl-6-(methylthio)-1,3,5-triazine-2,4-diamine","N-cyclopentyl-N'-methyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine",CNc1nc(NC2CCCC2)nc(SC)n1,CNc1nc(NC2CCCC2)nc(SC)n1,"InChI=1/C10H17N5S/c1-11-8-13-9(15-10(14-8)16-2)12-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H2,11,12,13,14,15)",C10H17N5S,,,,,,WYGJZAZXEXPVSU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.877,277-988-7,74758-91-1,(methylthio)methyl hexanoate,(methylsulfanyl)methyl hexanoate,CCCCCC(=O)OCSC,CCCCCC(=O)OCSC,"InChI=1/C8H16O2S/c1-3-4-5-6-8(9)10-7-11-2/h3-7H2,1-2H3",C8H16O2S,,,,,,NWSZEYNCLKNLMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.165,258-500-1,53369-40-7,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-isoleucine, compound with cyclohexylamine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-isoleucine - cyclohexanamine (1:1),CCC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,CCC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,"InChI=1/C18H24N2O4S.C6H13N/c1-5-12(2)17(18(21)22)19-25(23,24)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4;7-6-4-2-1-3-5-6/h6-12,17,19H,5H2,1-4H3,(H,21,22);6H,1-5,7H2",C18H24N2O4S.C6H13N,,,,,,YSWPFEXUKBSNGY-YYEGJJRBSA-N,,,,,,,,,,,
100.053.166,258-501-7,53369-71-4,"N,N,2,2-tetramethylpropane-1,3-diamine","N,N,2,2-tetramethylpropane-1,3-diamine",CN(C)CC(C)(C)CN,CN(C)CC(C)(C)CN,"InChI=1/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3",C7H18N2,,,,,,ULDIVZQLPBUHAG-UHFFFAOYSA-N,,,,,,,,,,,
100.053.167,258-502-2,53370-43-7,"Disilver(1+) 3,3'-methylenebisnaphthalene-2-sulphonate","disilver(1+) 3,3'-methylenedinaphthalene-2-sulfonate",[Ag+].[Ag+].[O-]S(=O)(=O)c1cc2ccccc2cc1Cc3cc4ccccc4cc3S(=O)(=O)[O-],[Ag+].[Ag+].[O-]S(=O)(=O)c1cc2ccccc2cc1Cc3cc4ccccc4cc3S(=O)(=O)[O-],"InChI=1/C21H16O6S2.2Ag/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C21H16O6S2.2Ag,,,,,,BROSRFATIJCNNM-UHFFFAOYSA-L,,,,,,,,,,,
100.053.169,258-504-3,53370-90-4,Exalamide,2-(hexyloxy)benzamide,CCCCCCOc1ccccc1C(=O)N,CCCCCCOc1ccccc1C(=O)N,"InChI=1/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15)",C13H19NO2,,,,,,CKSJXOVLXUMMFF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.175,258-511-1,53394-84-6,Butoxychloromagnesium,magnesium chloride butan-1-olate,CCCCO[Mg]Cl,CCCCO[Mg]Cl,"InChI=1/C4H9O.ClH.Mg/c1-2-3-4-5;;/h2-4H2,1H3;1H;/q-1;;+2/p-1/rC4H9ClMgO/c1-2-3-4-7-6-5/h2-4H2,1H3",C4H9ClMgO,,,,,,BSGVJBRWDNPHOR-UHFFFAOYSA-M,,,,,,,,,,,
100.053.176,258-512-7,53398-78-0,(E)-hex-2-enyl formate,hex-2-en-1-yl formate,CCC\\C=C\\COC=O,CCC\C=C\COC=O,"InChI=1/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3",C7H12O2,,,,,,SLWYMCAVYPZTRN-SNAWJCMRSA-N,,,,,,,,,,,
100.053.182,258-519-5,53398-86-0,(E)hex-2-enyl hexanoate,hex-2-en-1-yl hexanoate,CCCCCC(=O)OCC=CCCC,CCCCCC(=O)OCC=CCCC,"InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3",C12H22O2,,,,,,UQPLEMTXCSYMEK-UHFFFAOYSA-N,,,,,,,,,,,
100.053.183,258-520-0,53399-81-8,Ethyl 2-methylpent-4-en-1-oate,ethyl 2-methylpent-4-enoate,CCOC(=O)C(C)CC=C,CCOC(=O)C(C)CC=C,"InChI=1/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3",C8H14O2,,,,,,BDBGKYIBDXAVMX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.184,258-521-6,53403-97-7,Pyridofylline,"2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl hydrogen sulfate - 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (1:1)",CN1C(=O)N(C)c2ncn(CCOS(=O)(=O)O)c2C1=O.Cc3ncc(CO)c(CO)c3O,CN1C(=O)N(C)c2ncn(CCOS(=O)(=O)O)c2C1=O.Cc3ncc(CO)c(CO)c3O,"InChI=1/C9H12N4O6S.C8H11NO3/c1-11-7-6(8(14)12(2)9(11)15)13(5-10-7)3-4-19-20(16,17)18;1-5-8(12)7(4-11)6(3-10)2-9-5/h5H,3-4H2,1-2H3,(H,16,17,18);2,10-12H,3-4H2,1H3",C9H12N4O6S.C8H11NO3,,,,,,WXFJHNDXYIDTAF-UHFFFAOYSA-N,,,,,,,,,,,
100.053.193,258-531-0,53404-39-0,Bis(2-hydroxyethyl)ammonium myristate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium myristate,CCCCCCCCCCCCCC(=O)[O-].OCC[NH2+]CCO,CCCCCCCCCCCCCC(=O)[O-].OCC[NH2+]CCO,"InChI=1/C14H28O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;6-3-1-5-2-4-7/h2-13H2,1H3,(H,15,16);5-7H,1-4H2",C14H28O2.C4H11NO2,,,,,,FUQCJMSCGSVFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.053.196,258-534-7,53404-51-6,Potassium trihydrogen ethylenediaminetetraacetate,"potassium trihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+1/p-4",C10H16N2O8.K,,,,,,GHTWQCXOBQMUHR-UHFFFAOYSA-J,,,,,,,,,,,
100.053.197,258-535-2,53404-61-8,Tris(2-hydroxyethyl)ammonium 2-(4-chloro-2-methylphenoxy)propionate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 2-(4-chloro-2-methylphenoxy)propanoate",CC(Oc1ccc(Cl)cc1C)C(=O)[O-].OCC[NH+](CCO)CCO,CC(Oc1ccc(Cl)cc1C)C(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C10H11ClO3.C6H15NO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;8-4-1-7(2-5-9)3-6-10/h3-5,7H,1-2H3,(H,12,13);8-10H,1-6H2",C10H11ClO3.C6H15NO3,,,,,,CDRNTSYQTIKJNX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.938,279-156-9,79438-66-7,Butyl 2-[4-[(5-iodo-2-pyridyl)oxy]phenoxy]propionate,butyl 2-{4-[(5-iodopyridin-2-yl)oxy]phenoxy}propanoate,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(I)cn2)cc1,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(I)cn2)cc1,"InChI=1/C18H20INO4/c1-3-4-11-22-18(21)13(2)23-15-6-8-16(9-7-15)24-17-10-5-14(19)12-20-17/h5-10,12-13H,3-4,11H2,1-2H3",C18H20INO4,,,,,,WSBOTHAZBPBGGW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.939,279-157-4,79441-22-8,"N5-phenylpyridine-2,5-diamine","N~5~-phenylpyridine-2,5-diamine",Nc1ccc(Nc2ccccc2)cn1,Nc1ccc(Nc2ccccc2)cn1,"InChI=1/C11H11N3/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8,14H,(H2,12,13)",C11H11N3,,,,,,RZBFVVRYQHWXAU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.941,279-160-0,79449-97-1,"6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one","6-{2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl}-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one",CC1=CSC2=NC(=C(CCN3CCC(CC3)c4c[nH]c5ccccc45)C(=O)N12)C,CC1=CSC2=NC(=C(CCN3CCC(CC3)c4c[nH]c5ccccc45)C(=O)N12)C,"InChI=1/C23H26N4OS/c1-15-14-29-23-25-16(2)18(22(28)27(15)23)9-12-26-10-7-17(8-11-26)20-13-24-21-6-4-3-5-19(20)21/h3-6,13-14,17,24H,7-12H2,1-2H3",C23H26N4OS,,,,,,SZNOIYDSLZNPKL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.806,281-211-7,83898-04-8,"1,3-diamidinourea dihydrochloride","1,3-dicarbamimidoylurea dihydrochloride",Cl.Cl.NC(=N)NC(=O)NC(=N)N,Cl.Cl.NC(=N)NC(=O)NC(=N)N,"InChI=1/C3H8N6O.2ClH/c4-1(5)8-3(10)9-2(6)7;;/h(H8,4,5,6,7,8,9,10);2*1H",C3H8N6O.2ClH,,,,,,YGDJAFLUMLZTQA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.807,281-212-2,83898-05-9,"2,5,8,11,14,17-hexaazaoctadecanediamidine dihydrochloride","1-(16-amino-16-imino-3,6,9,12,15-pentaazahexadec-1-yl)guanidine dihydrochloride (non-preferred name)",Cl.Cl.NC(=N)NCCNCCNCCNCCNCCNC(=N)N,Cl.Cl.NC(=N)NCCNCCNCCNCCNCCNC(=N)N,"InChI=1/C12H32N10.2ClH/c13-11(14)21-9-7-19-5-3-17-1-2-18-4-6-20-8-10-22-12(15)16;;/h17-20H,1-10H2,(H4,13,14,21)(H4,15,16,22);2*1H",C12H32N10.2ClH,,,,,,JCNWVSVXXKODGA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.808,281-213-8,83898-06-0,Hexylguanidine monohydrochloride,1-hexylguanidine hydrochloride,Cl.CCCCCCNC(=N)N,Cl.CCCCCCNC(=N)N,"InChI=1/C7H17N3.ClH/c1-2-3-4-5-6-10-7(8)9;/h2-6H2,1H3,(H4,8,9,10);1H",C7H17N3.ClH,,,,,,GMWSAVIQMJXHLI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.811,281-216-4,83898-09-3,"2,5,8,11,14-pentaazapentadecanediamidine dihydrochloride","1-(13-amino-13-imino-3,6,9,12-tetraazatridec-1-yl)guanidine dihydrochloride",Cl.Cl.NC(=N)NCCNCCNCCNCCNC(=N)N,Cl.Cl.NC(=N)NCCNCCNCCNCCNC(=N)N,"InChI=1/C10H27N9.2ClH/c11-9(12)18-7-5-16-3-1-15-2-4-17-6-8-19-10(13)14;;/h15-17H,1-8H2,(H4,11,12,18)(H4,13,14,19);2*1H",C10H27N9.2ClH,,,,,,HMWMZFNGCLDIDM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.813,281-219-0,83898-11-7,2-[chloro-p-tolylmethylene]valeraldehyde,2-[chloro(4-methylphenyl)methylene]pentanal,Cc1ccc(cc1)C(Cl)=C(C=O)CCC,Cc1ccc(cc1)C(Cl)=C(C=O)CCC,"InChI=1/C13H15ClO/c1-3-4-12(9-15)13(14)11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3",C13H15ClO,,,,,,RQGOMHKBUMWEHS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.818,281-224-8,83898-16-2,a-(4-methoxyphenyl)morpholine-4-acetamide,2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide,COc1ccc(cc1)C(N2CCOCC2)C(=O)N,COc1ccc(cc1)C(N2CCOCC2)C(=O)N,"InChI=1/C13H18N2O3/c1-17-11-4-2-10(3-5-11)12(13(14)16)15-6-8-18-9-7-15/h2-5,12H,6-9H2,1H3,(H2,14,16)",C13H18N2O3,,,,,,UWDSSTLGCJFDOH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.441,284-115-3,84787-74-6,"1,1,3,3-tetrabutyl-1,3-bis(tetradecyloxy)distannoxane","1,1,3,3-tetrabutyl-1,3-bis(tetradecyloxy)distannoxane",CCCCCCCCCCCCCCO[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCO[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OCCCCCCCCCCCCCC,"InChI=1/2C14H29O.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;4*1-3-4-2;;;/h2*2-14H2,1H3;4*1,3-4H2,2H3;;;/q2*-1;;;;;;2*+1/rC44H94O3Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-37-39-45-48(41-15-9-3,42-16-10-4)47-49(43-17-11-5,44-18-12-6)46-40-38-36-34-32-30-28-26-24-22-20-14-8-2/h7-44H2,1-6H3",C44H94O3Sn2,,,,,,LKHTYEXCONZOSS-UHFFFAOYSA-N,,,,,,,,,,,
100.076.444,284-119-5,84787-77-9,4-nonylphenyl ditridecyl phosphite,4-nonylphenyl ditridecyl phosphite,CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)Oc1ccc(CCCCCCCCC)cc1,CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)Oc1ccc(CCCCCCCCC)cc1,"InChI=1/C41H77O3P/c1-4-7-10-13-16-18-20-22-25-28-31-38-42-45(43-39-32-29-26-23-21-19-17-14-11-8-5-2)44-41-36-34-40(35-37-41)33-30-27-24-15-12-9-6-3/h34-37H,4-33,38-39H2,1-3H3",C41H77O3P,,,,,,CEQWIUHWWZAJEI-UHFFFAOYSA-N,,,,,,,,,,,
100.076.447,284-122-1,84787-80-4,"8,8,14,14,20,20-hexabutyl-5,23-diethyl-10,18-dioxo-7,9,19,21-tetraoxa-13,15-dithia-8,14,20-tristannaheptacosane","8,8,14,14,20,20-hexabutyl-5,23-diethyl-10,18-dioxo-7,9,19,21-tetraoxa-13,15-dithia-8,14,20-tristannaheptacosane",CCCCC(CC)CO[Sn](CCCC)(CCCC)OC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)O[Sn](CCCC)(CCCC)OCC(CC)CCCC,CCCCC(CC)CO[Sn](CCCC)(CCCC)OC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)O[Sn](CCCC)(CCCC)OCC(CC)CCCC,"InChI=1/2C8H17O.6C4H9.2C3H6O2S.3Sn/c2*1-3-5-6-8(4-2)7-9;6*1-3-4-2;2*4-3(5)1-2-6;;;/h2*8H,3-7H2,1-2H3;6*1,3-4H2,2H3;2*6H,1-2H2,(H,4,5);;;/q2*-1;;;;;;;;;3*+2/p-4/rC46H96O6S2Sn3/c1-11-21-29-43(19-9)41-49-55(35-23-13-3,36-24-14-4)51-45(47)31-33-53-57(39-27-17-7,40-28-18-8)54-34-32-46(48)52-56(37-25-15-5,38-26-16-6)50-42-44(20-10)30-22-12-2/h43-44H,11-42H2,1-10H3",C46H96O6S2Sn3,,,,,,WCTDFLQCXMYEDC-UHFFFAOYSA-J,,,,,,,,,,,
100.068.715,275-610-5,71550-59-9,"3-[3-[(3-carboxy-1-oxoallyl)oxy]-2,2-dimethyl-1-oxopropoxy]-2,2-dimethylpropyl maleate","7,7,11,11,20,20,24,24-octamethyl-4,8,14,17,23,27-hexaoxo-5,9,13,18,22,26-hexaoxatriaconta-2,15,28-triene-1,30-dioic acid",CC(C)(COC(=O)\\C=C/C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)\\C=C\\C(=O)O)COC(=O)C(C)(C)COC(=O)\\C=C\\C(=O)O,CC(C)(COC(=O)\C=C/C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)\C=C\C(=O)O)COC(=O)C(C)(C)COC(=O)\C=C\C(=O)O,"InChI=1/C32H44O16/c1-29(2,17-47-27(41)31(5,6)19-45-23(37)11-9-21(33)34)15-43-25(39)13-14-26(40)44-16-30(3,4)18-48-28(42)32(7,8)20-46-24(38)12-10-22(35)36/h9-14H,15-20H2,1-8H3,(H,33,34)(H,35,36)",C18H24O10,,,,,,KGOJAAYNJRBBCB-OFKUODDJSA-N,,,,,,,,,,,
100.068.718,275-613-1,71550-62-4,4-(dichloromethylsilyl)-2-methylbutyronitrile,4-[(dichloromethyl)silyl]-2-methylbutanenitrile,CC(CC[SiH2]C(Cl)Cl)C#N,CC(CC[SiH2]C(Cl)Cl)C#N,"InChI=1/C6H11Cl2NSi/c1-5(4-9)2-3-10-6(7)8/h5-6H,2-3,10H2,1H3",C6H11Cl2NSi,,,,,,LCUFODXQZAGMHI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.721,275-616-8,71552-60-8,"a-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-1,4-dihydro-4-oxoquinazoline-2-acetonitrile","(4-oxo-1,4-dihydroquinazolin-2-yl)[3-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)-2,3-dihydro-1H-isoindol-1-ylidene]acetonitrile",O=C\\1NC(=O)NC(=O)C/1=C3/NC(c2ccccc23)=C(C#N)C=5Nc4ccccc4C(=O)N=5,O=C\1NC(=O)NC(=O)C/1=C3/NC(c2ccccc23)=C(C#N)C=5Nc4ccccc4C(=O)N=5,"InChI=1/C22H12N6O4/c23-9-13(18-24-14-8-4-3-7-12(14)19(29)26-18)16-10-5-1-2-6-11(10)17(25-16)15-20(30)27-22(32)28-21(15)31/h1-8,25H,(H,24,26,29)(H2,27,28,30,31,32)",C22H12N6O4,,,,,,LXTSYFWAWPPLKN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.725,275-621-5,71556-73-5,3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-1H-azepine,3-ethyl-3-(3-methoxyphenyl)-1-methylazepane,CCC1(CCCCN(C)C1)c2cccc(OC)c2,CCC1(CCCCN(C)C1)c2cccc(OC)c2,"InChI=1/C16H25NO/c1-4-16(10-5-6-11-17(2)13-16)14-8-7-9-15(12-14)18-3/h7-9,12H,4-6,10-11,13H2,1-3H3",C16H25NO,,,,,,MJHKYIKIHNDTBK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.421,270-885-8,68480-09-1,1-(1-ethoxyethoxy)pent-2-yne,1-(1-ethoxyethoxy)pent-2-yne,CCOC(C)OCC#CCC,CCOC(C)OCC#CCC,"InChI=1/C9H16O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-5,8H2,1-3H3",C9H16O2,,,,,,BDQDVYYARGPWKU-UHFFFAOYSA-N,,,,,,,,,,,
100.064.422,270-886-3,68480-10-4,"3,6,10-trimethylundeca-3,9-dien-2-one","3,6,10-trimethylundeca-3,9-dien-2-one",C/C(C)=C\\CCC(C)CC=C(C)C(C)=O,C/C(C)=C\CCC(C)CC=C(C)C(C)=O,"InChI=1/C14H24O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,10,12H,6,8-9H2,1-5H3",C14H24O,,,,,,FJHNHGPWIXCZGA-UHFFFAOYSA-N,,,,,,,,,,,
100.064.429,270-894-7,68480-17-1,"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pentan-3-one","1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one",CCC(=O)CCC1C(=CCCC1(C)C)C,CCC(=O)CCC1C(=CCCC1(C)C)C,"InChI=1/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7,13H,5-6,8-10H2,1-4H3",C14H24O,,,,,,KUZMAEUMYSXKOU-UHFFFAOYSA-N,,,,,,,,,,,
100.064.430,270-895-2,68480-18-2,Isobutyl 3-(2-furyl)acrylate,isobutyl 3-(2-furyl)acrylate,CC(C)COC(=O)\\C=C\\c1occc1,CC(C)COC(=O)\C=C\c1occc1,"InChI=1/C11H14O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-7,9H,8H2,1-2H3",C11H14O3,,,,,,MXXZZSWRRDGWLK-AATRIKPKSA-N,,,,,,,,,,,
100.064.431,270-896-8,68480-19-3,"2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-1,3-dioxolane","2,4-dimethyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethyl]-1,3-dioxolane",CC1COC(C)(CCC2C(=CCCC2(C)C)C)O1,CC1COC(C)(CCC2C(=CCCC2(C)C)C)O1,"InChI=1/C16H28O2/c1-12-7-6-9-15(3,4)14(12)8-10-16(5)17-11-13(2)18-16/h7,13-14H,6,8-11H2,1-5H3",C16H28O2,,,,,,OJMGTOSDJXUMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.064.436,270-901-3,68480-24-0,"6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-one","6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-one",CCC(=O)CC=CC1C\\C=C(\\C)C1(C)C,CCC(=O)CC=CC1C\C=C(\C)C1(C)C,"InChI=1/C14H22O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6-7,9,12H,5,8,10H2,1-4H3",C14H22O,,,,,,YZZSBPWKVIUTHA-UHFFFAOYSA-N,,,,,,,,,,,
100.064.437,270-902-9,68480-25-1,Tridec-2-en-1-ol,tridec-2-en-1-ol,CCCCCCCCCCC=CCO,CCCCCCCCCCC=CCO,"InChI=1/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-10,13H2,1H3",C13H26O,,,,,,VPYJHNADOJDSGU-UHFFFAOYSA-N,,,,,,,,,,,
100.064.440,270-906-0,68480-28-4,3-methyl-2-butenyl formate,3-methylbut-2-en-1-yl formate,CC(=CCOC=O)C,CC(=CCOC=O)C,"InChI=1/C6H10O2/c1-6(2)3-4-8-5-7/h3,5H,4H2,1-2H3",C6H10O2,,,,,,ZCROFVOAWLRGFY-UHFFFAOYSA-N,,,,,,,,,,,
100.066.170,272-808-3,68915-31-1,"Polyphosphoric acids, sodium salts",disodium dihydrogen diphosphate,[Na+].[Na+].OP(=O)([O-])OP(=O)(O)[O-],[Na+].[Na+].OP(=O)([O-])OP(=O)(O)[O-],"InChI=1/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2",-,,,,,,GYQBBRRVRKFJRG-UHFFFAOYSA-L,,,,,,,,,,,
100.067.349,274-107-8,69766-80-9,3-methyl-2-[2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]benzothiazolium bromide,"3-methyl-2-{2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium bromide",[Br-].C[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2C,[Br-].C[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2C,"InChI=1/C21H21N2S2.BrH/c1-4-15(13-20-22(2)16-9-5-7-11-18(16)24-20)14-21-23(3)17-10-6-8-12-19(17)25-21;/h5-14H,4H2,1-3H3;1H/q+1;/p-1",C21H21N2S2.Br,,,,,,YGIDDLBDMNEECL-UHFFFAOYSA-M,,,,,,,,,,,
100.076.900,284-620-9,84946-17-8,"3-(2-bromoethyl)-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one","3-(2-bromoethyl)-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=CN2C(=NC(=C(CCBr)C2=O)C)C=C1,CC1=CN2C(=NC(=C(CCBr)C2=O)C)C=C1,"InChI=1/C12H13BrN2O/c1-8-3-4-11-14-9(2)10(5-6-13)12(16)15(11)7-8/h3-4,7H,5-6H2,1-2H3",C12H13BrN2O,,,,,,FPEHIWWVZSYTKT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.903,284-624-0,84946-20-3,2-chloro-1-[(4-fluorophenyl)methyl]-1H-benzimidazole,2-chloro-1-(4-fluorobenzyl)-1H-benzimidazole,Fc1ccc(Cn2c(Cl)nc3ccccc23)cc1,Fc1ccc(Cn2c(Cl)nc3ccccc23)cc1,"InChI=1/C14H10ClFN2/c15-14-17-12-3-1-2-4-13(12)18(14)9-10-5-7-11(16)8-6-10/h1-8H,9H2",C14H10ClFN2,,,,,,PGXALMVNIRPELS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.017,279-243-1,79720-22-2,"Hexahydro-N-(2,2,6,6-tetramethyl-4-piperidyl)phthalimide","2-(2,2,6,6-tetramethylpiperidin-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",CC1(C)CC(CC(C)(C)N1)N2C(=O)C3CCCCC3C2=O,CC1(C)CC(CC(C)(C)N1)N2C(=O)C3CCCCC3C2=O,"InChI=1/C17H28N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h11-13,18H,5-10H2,1-4H3",C17H28N2O2,,,,,,OXAUHFISPWLGBV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.021,279-247-3,79720-28-8,"1,2,5,6-tetrahydro-N-(2,2,6,6-tetramethyl-4-piperidyl)phthalimide","2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",CC1(C)CC(CC(C)(C)N1)N2C(=O)C3CCC=CC3C2=O,CC1(C)CC(CC(C)(C)N1)N2C(=O)C3CCC=CC3C2=O,"InChI=1/C17H26N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h5,7,11-13,18H,6,8-10H2,1-4H3",C17H26N2O2,,,,,,VVUWERMQUQLKSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.023,279-249-4,79749-62-5,3-sulphopropyl 3-hydroxypropane-1-sulphonate,3-{[(3-hydroxypropyl)sulfonyl]oxy}propane-1-sulfonic acid,OCCCS(=O)(=O)OCCCS(=O)(=O)O,OCCCS(=O)(=O)OCCCS(=O)(=O)O,"InChI=1/C6H14O7S2/c7-3-1-6-15(11,12)13-4-2-5-14(8,9)10/h7H,1-6H2,(H,8,9,10)",C6H14O7S2,,,,,,DFPRQLAQGLLHCP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.024,279-251-5,79752-03-7,"5-acetyl-10,11-dihydro-3-nitro-5H-dibenz[b,f]azepine","5-acetyl-3-nitro-10,11-dihydro-5H-dibenzo[b,f]azepine",CC(=O)N1c2ccccc2CCc3ccc(cc13)[N+](=O)[O-],CC(=O)N1c2ccccc2CCc3ccc(cc13)[N+](=O)[O-],"InChI=1/C16H14N2O3/c1-11(19)17-15-5-3-2-4-12(15)6-7-13-8-9-14(18(20)21)10-16(13)17/h2-5,8-10H,6-7H2,1H3",C16H14N2O3,,,,,,LZEJPLZDYOQHSM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.026,279-253-6,79762-45-1,Dimethyltetradecylsulphonium methyl sulphate,dimethyl(tetradecyl)sulfonium methyl sulfate,CCCCCCCCCCCCCC[S+](C)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCC[S+](C)C.COS(=O)(=O)[O-],"InChI=1/C16H35S.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-5-6(2,3)4/h4-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C16H35S.CH3O4S,,,,,,PNLKJHBHBRSHQN-UHFFFAOYSA-M,,,,,,,,,,,
100.072.027,279-254-1,79770-26-6,"Disodium 7-[[4-[[4-[[4-(benzoylamino)benzoyl]amino]-o-tolyl]azo]phenyl]azo]naphthalene-1,3-disulphonate","disodium 7-({4-[(4-{[4-(benzoylamino)benzoyl]amino}-2-methylphenyl)diazenyl]phenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc6ccc(N=Nc3ccc(cc3C)NC(=O)c5ccc(NC(=O)c4ccccc4)cc5)cc6)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc6ccc(N=Nc3ccc(cc3C)NC(=O)c5ccc(NC(=O)c4ccccc4)cc5)cc6)S([O-])(=O)=O,"InChI=1/C37H28N6O8S2.2Na/c1-23-19-30(39-37(45)25-7-10-27(11-8-25)38-36(44)24-5-3-2-4-6-24)17-18-34(23)43-41-29-15-13-28(14-16-29)40-42-31-12-9-26-20-32(52(46,47)48)22-35(33(26)21-31)53(49,50)51;;/h2-22H,1H3,(H,38,44)(H,39,45)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2",C37H28N6O8S2.2Na,,,,,,OGIOWQXGUNUPJM-UHFFFAOYSA-L,,,,,,,,,,,
100.072.031,279-258-3,79779-66-1,"2-bromo-1-(2,3,4-trichlorophenyl)ethan-1-one","2-bromo-1-(2,3,4-trichlorophenyl)ethanone",Clc1ccc(C(=O)CBr)c(Cl)c1Cl,Clc1ccc(C(=O)CBr)c(Cl)c1Cl,"InChI=1/C8H4BrCl3O/c9-3-6(13)4-1-2-5(10)8(12)7(4)11/h1-2H,3H2",C8H4BrCl3O,,,,,,VLDDCKKHWOFPMO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.033,279-260-4,79781-87-6,2-tert-butyl-4-cyclohexylphenyl nicotinate,2-tert-butyl-4-cyclohexylphenyl nicotinate,CC(C)(C)c1cc(ccc1OC(=O)c2cccnc2)C3CCCCC3,CC(C)(C)c1cc(ccc1OC(=O)c2cccnc2)C3CCCCC3,"InChI=1/C22H27NO2/c1-22(2,3)19-14-17(16-8-5-4-6-9-16)11-12-20(19)25-21(24)18-10-7-13-23-15-18/h7,10-16H,4-6,8-9H2,1-3H3",C22H27NO2,,,,,,IKARRQFFZRTPEB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.037,279-265-1,79792-97-5,o-(propylthio)benzenesulphonamide,2-(propylsulfanyl)benzenesulfonamide,CCCSc1ccccc1S(=O)(=O)N,CCCSc1ccccc1S(=O)(=O)N,"InChI=1/C9H13NO2S2/c1-2-7-13-8-5-3-4-6-9(8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)",C9H13NO2S2,,,,,,YUELPEBMYBAWNG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.038,279-266-7,79792-99-7,o-(propylthio)benzenesulphonyl chloride,2-(propylsulfanyl)benzenesulfonyl chloride,CCCSc1ccccc1S(=O)(=O)Cl,CCCSc1ccccc1S(=O)(=O)Cl,"InChI=1/C9H11ClO2S2/c1-2-7-13-8-5-3-4-6-9(8)14(10,11)12/h3-6H,2,7H2,1H3",C9H11ClO2S2,,,,,,BYFHFTOAZIAVNY-UHFFFAOYSA-N,,,,,,,,,,,
100.053.202,258-541-5,53405-98-4,"1,1-diethoxydodecane","1,1-diethoxydodecane",CCCCCCCCCCCC(OCC)OCC,CCCCCCCCCCCC(OCC)OCC,"InChI=1/C16H34O2/c1-4-7-8-9-10-11-12-13-14-15-16(17-5-2)18-6-3/h16H,4-15H2,1-3H3",C16H34O2,,,,,,CHURJRSXCYIYQX-UHFFFAOYSA-N,,,,,,,,,,,
100.053.207,258-546-2,53422-09-6,"1,6-dihydro-2-hydroxy-1-methyl-6-oxonicotinonitrile","2-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile",CN1C(=O)C=CC(=C1O)C#N,CN1C(=O)C=CC(=C1O)C#N,"InChI=1/C7H6N2O2/c1-9-6(10)3-2-5(4-8)7(9)11/h2-3,11H,1H3",C7H6N2O2,,,,,,FBRWJWNNKZXTPS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.874,269-182-9,68189-24-2,Calcium bis[2-chloro-6-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate],calcium bis{3-chloro-5-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate},[Ca+2].Cc3c(N=Nc1c2ccccc2ccc1O)cc(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)c(N=Nc1c2ccccc2ccc1O)c3,[Ca+2].Cc3c(N=Nc1c2ccccc2ccc1O)cc(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)c(N=Nc1c2ccccc2ccc1O)c3,"InChI=1/2C17H13ClN2O4S.Ca/c2*1-10-14(18)8-12(25(22,23)24)9-15(10)19-20-17-13-5-3-2-4-11(13)6-7-16(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",C17H13ClN2O4S.1/2Ca,,,,,,WXNCKGDQVKFDFH-UHFFFAOYSA-L,,,,,,,,,,,
100.063.002,269-323-4,68223-93-8,"Diammonium 2,2'-dithiodiacetate","diammonium 2,2'-disulfanediyldiacetate",[NH4+].[NH4+].[O-]C(=O)CSSCC(=O)[O-],[NH4+].[NH4+].[O-]C(=O)CSSCC(=O)[O-],"InChI=1/C4H6O4S2.2H3N/c5-3(6)1-9-10-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);2*1H3",C4H6O4S2.2H3N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10287,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.002,RZOXALOSBVDYRY-UHFFFAOYSA-N,,,,,,,,,,,
100.063.017,269-340-7,68227-26-9,Sodium [(3-chloro-2-methylphenyl)amino]methanesulphonate,sodium [(3-chloro-2-methylphenyl)amino]methanesulfonate,[Na+].Cc1c(Cl)cccc1NCS(=O)(=O)[O-],[Na+].Cc1c(Cl)cccc1NCS(=O)(=O)[O-],"InChI=1/C8H10ClNO3S.Na/c1-6-7(9)3-2-4-8(6)10-5-14(11,12)13;/h2-4,10H,5H2,1H3,(H,11,12,13);/q;+1/p-1",C8H10ClNO3S.Na,,,,,,QYQIDLKDRIVWLH-UHFFFAOYSA-M,,,,,,,,,,,
100.074.241,281-691-8,84012-51-1,"2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-(2-{4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}vinyl)-1,3,3-trimethyl-3H-indolium acetate",CCN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.CC(=O)[O-],CCN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.CC(=O)[O-],"InChI=1/C25H30N3.C2H4O2/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-2(3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;1H3,(H,3,4)/q+1;/p-1",C25H30N3.C2H3O2,,,,,,BKLVTRULGQWEOL-UHFFFAOYSA-M,,,,,,,,,,,
100.074.242,281-692-3,84012-52-2,"Bis[5-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)","bis[5-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium] tetrachlorozincate(2-)",CN3/C=N\\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.Cl[Zn-2](Cl)(Cl)Cl.CN(Cc1ccccc1)c2ccc(cc2)N=NC3[NH+](C)\\N=C/N3C,CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.Cl[Zn-2](Cl)(Cl)Cl.CN(Cc1ccccc1)c2ccc(cc2)N=NC3[NH+](C)\N=C/N3C,"InChI=1/2C18H22N6.4ClH.Zn/c2*1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;;;;;/h2*4-12,14,18H,13H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C18H22N6.Cl4Zn/c2*1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-5(2,3)4/h2*4-12,14,18H,13H2,1-3H3;/q;;-2/p+2",C18H21N6.1/2Cl4Zn,,,,,,GSBNFYQSNMZSHL-UHFFFAOYSA-L,,,,,,,,,,,
100.074.243,281-693-9,84012-53-3,"2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-benzisothiazol-3(2H)-one","2-{[cyclohexyl(2-hydroxyethyl)amino]methyl}-1,2-benzisothiazol-3(2H)-one",OCCN(CN1Sc2ccccc2C1=O)C3CCCCC3,OCCN(CN1Sc2ccccc2C1=O)C3CCCCC3,"InChI=1/C16H22N2O2S/c19-11-10-17(13-6-2-1-3-7-13)12-18-16(20)14-8-4-5-9-15(14)21-18/h4-5,8-9,13,19H,1-3,6-7,10-12H2",C16H22N2O2S,,,,,,BSADNVUPCPLKGY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.119,277-154-2,72968-80-0,Disodium 5-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-2-sulphonate,disodium 5-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-8-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc5ccc(N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4cc(ccc45)S([O-])(=O)=O)c6ccc(C)cc6,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc5ccc(N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4cc(ccc45)S([O-])(=O)=O)c6ccc(C)cc6,"InChI=1/C35H26N6O11S3.2Na/c1-22-2-13-28(14-3-22)55(50,51)52-27-11-8-25(9-12-27)38-39-32-18-19-33(31-21-29(53(44,45)46)15-16-30(31)32)40-37-24-6-4-23(5-7-24)36-34-17-10-26(41(42)43)20-35(34)54(47,48)49;;/h2-21,36H,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C35H26N6O11S3.2Na,,,,,,CEXKQVNVJBGENQ-UHFFFAOYSA-L,,,,,,,,,,,
100.070.123,277-158-4,72972-37-3,"1,8-diamino-4-chloro-5-hydroxyanthraquinone","1,8-diamino-4-chloro-5-hydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(Cl)ccc(N)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(Cl)ccc(N)c3C(=O)c12,"InChI=1/C14H9ClN2O3/c15-5-1-2-6(16)10-9(5)13(19)12-8(18)4-3-7(17)11(12)14(10)20/h1-4,18H,16-17H2",C14H9ClN2O3,,,,,,ZIIAOWLFHYETAS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.253,277-301-0,73150-67-1,2-amino-a-oxothiazol-4-acetic acid,"(2-amino-1,3-thiazol-4-yl)(oxo)acetic acid",Nc1nc(cs1)C(=O)C(=O)O,Nc1nc(cs1)C(=O)C(=O)O,"InChI=1/C5H4N2O3S/c6-5-7-2(1-11-5)3(8)4(9)10/h1H,(H2,6,7)(H,9,10)",C5H4N2O3S,,,,,,VMASTYPGLHRVNL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.453,284-128-4,84787-87-1,3-methyl-2-[(1-methyl-2-phenyl-1H-indol-3-yl)azo]thiazolium acetate,"3-methyl-2-[(1-methyl-2-phenyl-1H-indol-3-yl)diazenyl]-1,3-thiazol-3-ium acetate",[O-]C(C)=O.Cn3c(c(N=Nc1scc[n+]1C)c2ccccc23)c4ccccc4,[O-]C(C)=O.Cn3c(c(N=Nc1scc[n+]1C)c2ccccc23)c4ccccc4,"InChI=1/C19H17N4S.C2H4O2/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;1-2(3)4/h3-13H,1-2H3;1H3,(H,3,4)/q+1;/p-1",C19H17N4S.C2H3O2,,,,,,ZKJQYZFOLOZTBN-UHFFFAOYSA-M,,,,,,,,,,,
100.076.460,284-136-8,84787-97-3,"5-chloro-2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","5-chloro-2-{2-[4-(dimethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CN(C)c1ccc(\\C=C\\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1,[Cl-].CN(C)c1ccc(\C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1,"InChI=1/C21H24ClN2.ClH/c1-21(2)18-14-16(22)9-12-19(18)24(5)20(21)13-8-15-6-10-17(11-7-15)23(3)4;/h6-14H,1-5H3;1H/q+1;/p-1",C21H24ClN2.Cl,,,,,,ASOVORFALUQZRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.076.467,284-144-1,84788-05-6,3-[2-hydroxy-3-(tetradecyloxy)propoxy]propanol,3-[2-hydroxy-3-(tetradecyloxy)propoxy]propan-1-ol,CCCCCCCCCCCCCCOCC(O)COCCCO,CCCCCCCCCCCCCCOCC(O)COCCCO,"InChI=1/C20H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-18-20(22)19-24-17-14-15-21/h20-22H,2-19H2,1H3",C20H42O4,,,,,,IDJQJUSXRGFMSH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.473,284-150-4,84788-11-4,"2-amino-1,8-dihydroxy-5-(phenylamino)anthraquinone","2-amino-5-anilino-1,8-dihydroxy-9,10-anthraquinone",Nc1ccc2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)c2c1O,Nc1ccc2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)c2c1O,"InChI=1/C20H14N2O4/c21-12-7-6-11-15(19(12)25)20(26)17-14(23)9-8-13(16(17)18(11)24)22-10-4-2-1-3-5-10/h1-9,22-23,25H,21H2",C20H14N2O4,,,,,,TVHDZTXXIBHODC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.726,283-326-8,84604-46-6,"Ethyl 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene-2-carboxylate","ethyl 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene-2-carboxylate",CCOC(=O)C1OC12CC(C)(C)CC(=C2)C,CCOC(=O)C1OC12CC(C)(C)CC(=C2)C,"InChI=1/C13H20O3/c1-5-15-11(14)10-13(16-10)7-9(2)6-12(3,4)8-13/h7,10H,5-6,8H2,1-4H3",C13H20O3,,,,,,TVEKTNALOZDNSW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.731,283-332-0,84604-51-3,(E)-2-methoxy-4-prop-1-enylphenyl isobutyrate,2-methoxy-4-prop-1-en-1-ylphenyl 2-methylpropanoate,COc1cc(\\C=C\\C)ccc1OC(=O)C(C)C,COc1cc(\C=C\C)ccc1OC(=O)C(C)C,"InChI=1/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5-10H,1-4H3",C14H18O3,,,,,,HEOQGBRLGAJSLZ-AATRIKPKSA-N,,,,,,,,,,,
100.075.732,283-333-6,84604-52-4,(E)-2-methoxy-4-(1-propenyl)phenyl butyrate,2-methoxy-4-prop-1-en-1-ylphenyl butyrate,CCCC(=O)Oc1ccc(\\C=C\\C)cc1OC,CCCC(=O)Oc1ccc(\C=C\C)cc1OC,"InChI=1/C14H18O3/c1-4-6-11-8-9-12(13(10-11)16-3)17-14(15)7-5-2/h4,6,8-10H,5,7H2,1-3H3",C14H18O3,,,,,,UQDXHGCJJZLNMJ-GQCTYLIASA-N,,,,,,,,,,,
100.075.748,283-350-9,84604-68-2,3-(1-piperazinyl)propiophenone,1-(3-piperazin-1-ylphenyl)propan-1-one,CCC(=O)c1cccc(c1)N2CCNCC2,CCC(=O)c1cccc(c1)N2CCNCC2,"InChI=1/C13H18N2O/c1-2-13(16)11-4-3-5-12(10-11)15-8-6-14-7-9-15/h3-5,10,14H,2,6-9H2,1H3",C13H18N2O,,,,,,CKQKEQOULAMQQR-UHFFFAOYSA-N,,,,,,,,,,,
100.077.009,284-741-7,84962-44-7,Methyl 3-oxo-2-pentylidenecyclopentaneacetate,methyl (3-oxo-2-pentylidenecyclopentyl)acetate,O=C1CCC(CC(=O)OC)C1=CCCCC,O=C1CCC(CC(=O)OC)C1=CCCCC,"InChI=1/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h6,10H,3-5,7-9H2,1-2H3",C13H20O3,,,,,,BJWUCYNWZYDBHN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.016,284-749-0,84962-51-6,"Sodium 4-[[4-amino-2-(diethylamino)-6-methyl-5-pyrimidinyl]azo]-2,5-dichlorobenzenesulphonate","sodium 4-{[4-amino-2-(diethylamino)-6-methylpyrimidin-5-yl]diazenyl}-2,5-dichlorobenzenesulfonate",[Na+].CCN(CC)c2nc(C)c(N=Nc1cc(Cl)c(cc1Cl)S([O-])(=O)=O)c(N)n2,[Na+].CCN(CC)c2nc(C)c(N=Nc1cc(Cl)c(cc1Cl)S([O-])(=O)=O)c(N)n2,"InChI=1/C15H18Cl2N6O3S.Na/c1-4-23(5-2)15-19-8(3)13(14(18)20-15)22-21-11-6-10(17)12(7-9(11)16)27(24,25)26;/h6-7H,4-5H2,1-3H3,(H2,18,19,20)(H,24,25,26);/q;+1/p-1",C15H18Cl2N6O3S.Na,,,,,,DNMMUVLDIQPAEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.071.951,279-171-0,79505-37-6,"Diphenyl (2,2-dimethylpropyl)imidodicarbonate","[(2,2-dimethylpropyl)imino](phenoxy)methyl phenyl carbonate",CC(C)(C)CN=C(OC(=O)Oc1ccccc1)Oc2ccccc2,CC(C)(C)CN=C(OC(=O)Oc1ccccc1)Oc2ccccc2,"InChI=1/C19H21NO4/c1-19(2,3)14-20-17(22-15-10-6-4-7-11-15)24-18(21)23-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3",C19H21NO4,,,,,,WXHXSAPVFKKPKD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.956,279-176-8,79542-42-0,"4,8-diamino-1,5-dihydroxy-2,6-bis(4-methoxyphenyl)anthraquinone","4,8-diamino-1,5-dihydroxy-2,6-bis(4-methoxyphenyl)-9,10-anthraquinone",COc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)c(cc(N)c4C(=O)c3c2O)c5ccc(OC)cc5,COc1ccc(cc1)c2cc(N)c3C(=O)c4c(O)c(cc(N)c4C(=O)c3c2O)c5ccc(OC)cc5,"InChI=1/C28H22N2O6/c1-35-15-7-3-13(4-8-15)17-11-19(29)21-23(25(17)31)27(33)22-20(30)12-18(26(32)24(22)28(21)34)14-5-9-16(36-2)10-6-14/h3-12,31-32H,29-30H2,1-2H3",C28H22N2O6,,,,,,JRKWACBPHRCXQH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.959,279-179-4,79547-07-2,Methyl 3-(o-nitrophenyl)pyruvate,methyl 3-(2-nitrophenyl)-2-oxopropanoate,COC(=O)C(=O)Cc1ccccc1[N+](=O)[O-],COC(=O)C(=O)Cc1ccccc1[N+](=O)[O-],"InChI=1/C10H9NO5/c1-16-10(13)9(12)6-7-4-2-3-5-8(7)11(14)15/h2-5H,6H2,1H3",C10H9NO5,,,,,,BJUFXOPELRQGNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.352,274-110-4,69770-45-2,"a-cyano-4-fluoro-3-phenoxybenzyl 3-[2-chloro-2-(4-chlorophenyl)vinyl]-2,2-dimethylcyclopropanecarboxylate","cyano(4-fluoro-3-phenoxyphenyl)methyl 3-[2-chloro-2-(4-chlorophenyl)vinyl]-2,2-dimethylcyclopropanecarboxylate",CC1(C)C(\\C=C(/Cl)\\c2ccc(Cl)cc2)C1C(=O)OC(C#N)c3ccc(F)c(Oc4ccccc4)c3,CC1(C)C(\C=C(/Cl)\c2ccc(Cl)cc2)C1C(=O)OC(C#N)c3ccc(F)c(Oc4ccccc4)c3,"InChI=1/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3",C28H22Cl2FNO3,,,,,,YXWCBRDRVXHABN-JCMHNJIXSA-N,,,,,,,,,,,
100.067.359,274-118-8,69791-81-7,"5,6,7-trimethoxy-2-naphthoic acid","5,6,7-trimethoxy-2-naphthoic acid",COc1cc2cc(ccc2c(OC)c1OC)C(=O)O,COc1cc2cc(ccc2c(OC)c1OC)C(=O)O,"InChI=1/C14H14O5/c1-17-11-7-9-6-8(14(15)16)4-5-10(9)12(18-2)13(11)19-3/h4-7H,1-3H3,(H,15,16)",C14H14O5,,,,,,UDAHTEIDHNWRAS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.367,274-127-7,69812-29-9,2-acetamido-4-methylthiazole-5-sulphonyl chloride,"2-acetamido-4-methyl-1,3-thiazole-5-sulfonyl chloride",CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Cl,CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Cl,"InChI=1/C6H7ClN2O3S2/c1-3-5(14(7,11)12)13-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)",C6H7ClN2O3S2,,,,,,NXGKPRKPUCSEIL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.875,276-885-4,72828-74-1,"4-[[(2,3-dihydro-2-methyl-1H-indol-1-yl)imino]methyl]-1-methylquinolinium chloride","1-methyl-4-{[(2-methyl-2,3-dihydro-1H-indol-1-yl)imino]methyl}quinolinium chloride",[Cl-].C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34,[Cl-].C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34,"InChI=1/C20H20N3.ClH/c1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20;/h3-12,14-15H,13H2,1-2H3;1H/q+1;/p-1",C20H20N3.Cl,,,,,,IXBUEUFJJCTIQA-UHFFFAOYSA-M,,,,,,,,,,,
100.069.881,276-892-2,72828-87-6,"Sodium p-[4,5-dihydro-3-methyl-4-[[3-[(p-tolylamino)sulphonyl]-p-tolyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-[3-methyl-4-({4-methyl-3-[(4-methylphenyl)sulfamoyl]phenyl}diazenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2C)N=NC4C(\\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O,[Na+].Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2C)N=NC4C(\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O,"InChI=1/C24H23N5O6S2.Na/c1-15-4-7-18(8-5-15)28-36(31,32)22-14-19(9-6-16(22)2)25-26-23-17(3)27-29(24(23)30)20-10-12-21(13-11-20)37(33,34)35;/h4-14,23,28H,1-3H3,(H,33,34,35);/q;+1/p-1",C24H23N5O6S2.Na,,,,,,IKLJQUKIHIKJOO-UHFFFAOYSA-M,,,,,,,,,,,
100.069.883,276-894-3,72828-90-1,"[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride","N-{4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]cyclohexa-2,5-dien-1-ylidene}-N-ethylethanaminium chloride",[Cl-].CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC,[Cl-].CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC,"InChI=1/C32H30ClN2.ClH/c1-4-35(5-2)25-21-19-23(20-22-25)30(26-15-9-11-17-28(26)33)31-27-16-10-12-18-29(27)34(3)32(31)24-13-7-6-8-14-24;/h6-22H,4-5H2,1-3H3;1H/q+1;/p-1",C32H30ClN2.Cl,,,,,,HIRNHRKPJDWKSO-UHFFFAOYSA-M,,,,,,,,,,,
100.068.739,275-636-7,71566-42-2,"Tetrasodium 2-[4-[[4-[2-(4-nitro-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]azo]phenyl]naphtho[1,2-d]triazole-6,8-disulphonate","tetrasodium 2-[4-({4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}diazenyl)phenyl]-2H-naphtho[1,2-d][1,2,3]triazole-6,8-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c6ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2)n5nc4c(ccc3c(cc(cc34)S([O-])(=O)=O)S([O-])(=O)=O)n5)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c6ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2)n5nc4c(ccc3c(cc(cc34)S([O-])(=O)=O)S([O-])(=O)=O)n5)c(c6)S([O-])(=O)=O,"InChI=1/C30H20N6O14S4.4Na/c37-36(38)22-8-4-18(28(14-22)53(45,46)47)2-1-17-3-5-20(13-27(17)52(42,43)44)32-31-19-6-9-21(10-7-19)35-33-26-12-11-24-25(30(26)34-35)15-23(51(39,40)41)16-29(24)54(48,49)50;;;;/h1-16H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",C30H20N6O14S4.4Na,,,,,,YVKXGXGUQRONRN-BIOIADLQSA-J,,,,,,,,,,,
100.068.746,275-644-0,71566-77-3,3-(ethylamino)-2-methyl-7-[(o-tolyl)amino]phenoxazin-5-ium formate,3-(ethylamino)-2-methyl-7-[(2-methylphenyl)amino]phenoxazin-5-ium formate,CCNc1cc2[o+]c3cc(Nc4ccccc4C)ccc3nc2cc1C.[O-]C=O,CCNc1cc2[o+]c3cc(Nc4ccccc4C)ccc3nc2cc1C.[O-]C=O,"InChI=1/C22H22N3O.CH2O2/c1-4-23-19-13-22-20(11-15(19)3)25-18-10-9-16(12-21(18)26-22)24-17-8-6-5-7-14(17)2;2-1-3/h5-13,23-24H,4H2,1-3H3;1H,(H,2,3)/q+1;/p-1",C22H22N3O.CHO2,,,,,,MEEXEXGULWENAG-UHFFFAOYSA-M,,,,,,,,,,,
100.064.467,270-935-9,68511-03-5,"Phosphoric acid, hexyl ester",hexyl dihydrogen phosphate,CCCCCCOP(=O)(O)O,CCCCCCOP(=O)(O)O,"InChI=1/C6H15O4P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5275,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.467,PHNWGDTYCJFUGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.469,270-938-5,68511-40-0,"1-Propanamine, 3-(tridecyloxy)-, branched","3-[(8,10-dimethylundecyl)oxy]propan-1-amine",CC(C)CC(C)CCCCCCCOCCCN,CC(C)CC(C)CCCCCCCOCCCN,"InChI=1/C16H35NO/c1-15(2)14-16(3)10-7-5-4-6-8-12-18-13-9-11-17/h15-16H,4-14,17H2,1-3H3",-,,,,,,JCBFWZDDDTVBFC-UHFFFAOYSA-N,,,,,,,,,,,
100.066.002,272-623-8,68900-73-2,"2-hydroxy-1,3,2-dioxaphosphorinan-5-ol 2-oxide, monosodium salt",-,[Na+].OC1COP(=O)(O)OC1,[Na+].OC1COP(=O)(O)OC1,"InChI=1/C3H7O5P.Na/c4-3-1-7-9(5,6)8-2-3;/h3-4H,1-2H2,(H,5,6);/q;+1",C3H7O5P.Na,,,,,,WDWUVTYAJGIAIV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.042,279-270-9,79793-03-6,"Disodium 7-[[4-[[4-[(4-aminobenzoyl)amino]-o-tolyl]azo]phenyl]azo]naphthalene-1,3-disulphonate","disodium 7-{[4-({4-[(4-aminobenzoyl)amino]-2-methylphenyl}diazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc5ccc(N=Nc3ccc(cc3C)NC(=O)c4ccc(N)cc4)cc5)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc5ccc(N=Nc3ccc(cc3C)NC(=O)c4ccc(N)cc4)cc5)S([O-])(=O)=O,"InChI=1/C30H24N6O7S2.2Na/c1-18-14-24(32-30(37)19-2-5-21(31)6-3-19)12-13-28(18)36-34-23-10-8-22(9-11-23)33-35-25-7-4-20-15-26(44(38,39)40)17-29(27(20)16-25)45(41,42)43;;/h2-17H,31H2,1H3,(H,32,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C30H24N6O7S2.2Na,,,,,,ATGDUPPIZCDLBN-UHFFFAOYSA-L,,,,,,,,,,,
100.075.161,282-703-4,84304-18-7,3-bromo-6-methoxy-1-(4-nitrophenoxy)benzene,4-bromo-1-methoxy-2-(4-nitrophenoxy)benzene,COc1ccc(Br)cc1Oc2ccc(cc2)[N+](=O)[O-],COc1ccc(Br)cc1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H10BrNO4/c1-18-12-7-2-9(14)8-13(12)19-11-5-3-10(4-6-11)15(16)17/h2-8H,1H3",C13H10BrNO4,,,,,,INITWIZQTGTCFY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.182,282-727-5,84332-97-8,"3,5,5-trimethylhexyl 6,6-dibutyl-15,17,17-trimethyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate","3,5,5-trimethylhexyl 6,6-dibutyl-15,17,17-trimethyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dien-1-oate",O=C(O[Sn](CCCC)(OC(=O)C=CC(=O)OCCC(C)CC(C)(C)C)CCCC)C=CC(=O)OCCC(C)CC(C)(C)C,O=C(O[Sn](CCCC)(OC(=O)C=CC(=O)OCCC(C)CC(C)(C)C)CCCC)C=CC(=O)OCCC(C)CC(C)(C)C,"InChI=1/2C13H22O4.2C4H9.Sn/c2*1-10(9-13(2,3)4)7-8-17-12(16)6-5-11(14)15;2*1-3-4-2;/h2*5-6,10H,7-9H2,1-4H3,(H,14,15);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC34H60O8Sn/c1-11-13-23-43(24-14-12-2,41-31(37)17-15-29(35)39-21-19-27(3)25-33(5,6)7)42-32(38)18-16-30(36)40-22-20-28(4)26-34(8,9)10/h15-18,27-28H,11-14,19-26H2,1-10H3",C34H60O8Sn,,,,,,PTENHSHTHLULME-UHFFFAOYSA-L,,,,,,,,,,,
100.075.192,282-738-5,84370-78-5,"2-ethylhexyl 10-ethyl-4,4-bis[3-(octadecyloxy)-3-oxopropyl]-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate","2-ethylhexyl 10-ethyl-4,4-bis[3-(octadecyloxy)-3-oxopropyl]-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",CCCCCCCCCCCCCCCCCCOC(=O)CC[Sn](CCC(=O)OCCCCCCCCCCCCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,CCCCCCCCCCCCCCCCCCOC(=O)CC[Sn](CCC(=O)OCCCCCCCCCCCCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1/2C21H41O2.2C10H20O2S.Sn/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;2*1-3-5-6-9(4-2)7-12-10(11)8-13;/h2*2-20H2,1H3;2*9,13H,3-8H2,1-2H3;/q;;;;+2/p-2/rC62H120O8S2Sn/c1-7-13-17-19-21-23-25-27-29-31-33-35-37-39-41-43-49-67-59(63)47-51-73(71-55-61(65)69-53-57(11-5)45-15-9-3,72-56-62(66)70-54-58(12-6)46-16-10-4)52-48-60(64)68-50-44-42-40-38-36-34-32-30-28-26-24-22-20-18-14-8-2/h57-58H,7-56H2,1-6H3",C62H120O8S2Sn,,,,,,RLUQNBRMDCXGLH-UHFFFAOYSA-L,,,,,,,,,,,
100.073.937,281-356-6,83929-63-9,"1-[[4-(1,1-dimethylethyl)phenyl]thio]-4,5,8-tris(phenylthio)anthraquinone","1-[(4-tert-butylphenyl)sulfanyl]-4,5,8-tris(phenylsulfanyl)-9,10-anthraquinone",CC(C)(C)c1ccc(Sc2ccc(Sc3ccccc3)c4C(=O)c5c(Sc6ccccc6)ccc(Sc7ccccc7)c5C(=O)c24)cc1,CC(C)(C)c1ccc(Sc2ccc(Sc3ccccc3)c4C(=O)c5c(Sc6ccccc6)ccc(Sc7ccccc7)c5C(=O)c24)cc1,"InChI=1/C42H32O2S4/c1-42(2,3)27-19-21-31(22-20-27)48-35-26-25-34(47-30-17-11-6-12-18-30)38-39(35)41(44)37-33(46-29-15-9-5-10-16-29)24-23-32(36(37)40(38)43)45-28-13-7-4-8-14-28/h4-26H,1-3H3",C42H32O2S4,,,,,,ABHXLCBSTASDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.939,281-358-7,83929-65-1,"1,5-bis[[4-(1,1-dimethylethyl)phenyl]thio]-4,8-bis(phenylthio)anthraquinone","1,5-bis[(4-tert-butylphenyl)sulfanyl]-4,8-bis(phenylsulfanyl)-9,10-anthraquinone",CC(C)(C)c1ccc(Sc2ccc(Sc3ccccc3)c4C(=O)c5c(Sc6ccc(cc6)C(C)(C)C)ccc(Sc7ccccc7)c5C(=O)c24)cc1,CC(C)(C)c1ccc(Sc2ccc(Sc3ccccc3)c4C(=O)c5c(Sc6ccc(cc6)C(C)(C)C)ccc(Sc7ccccc7)c5C(=O)c24)cc1,"InChI=1/C46H40O2S4/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-25-35(49-31-13-9-7-10-14-31)39-41(37)43(47)40-36(50-32-15-11-8-12-16-32)26-28-38(42(40)44(39)48)52-34-23-19-30(20-24-34)46(4,5)6/h7-28H,1-6H3",C46H40O2S4,,,,,,DHVCEFXXLLZDNV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.942,281-361-3,83929-68-4,"2-(allyloxy)-3,4,5,6-tetrabromotoluene","1-(allyloxy)-2,3,4,5-tetrabromo-6-methylbenzene",Cc1c(Br)c(Br)c(Br)c(Br)c1OCC=C,Cc1c(Br)c(Br)c(Br)c(Br)c1OCC=C,"InChI=1/C10H8Br4O/c1-3-4-15-10-5(2)6(11)7(12)8(13)9(10)14/h3H,1,4H2,2H3",C10H8Br4O,,,,,,ATMWXSMLRHTKLA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.948,281-368-1,83929-74-2,"1,1'-isopropylidenebis[3,5-dibromo-4-[[pentakis(bromomethyl)phenyl]methoxy]benzene]","1,1'-{propane-2,2-diylbis[(2,6-dibromo-4,1-phenylene)oxymethylene]}bis[pentakis(bromomethyl)benzene]",CC(C)(c1cc(Br)c(OCc2c(CBr)c(CBr)c(CBr)c(CBr)c2CBr)c(Br)c1)c3cc(Br)c(OCc4c(CBr)c(CBr)c(CBr)c(CBr)c4CBr)c(Br)c3,CC(C)(c1cc(Br)c(OCc2c(CBr)c(CBr)c(CBr)c(CBr)c2CBr)c(Br)c1)c3cc(Br)c(OCc4c(CBr)c(CBr)c(CBr)c(CBr)c4CBr)c(Br)c3,"InChI=1/C39H34Br14O2/c1-39(2,19-3-33(50)37(34(51)4-19)54-17-31-27(13-46)23(9-42)21(7-40)24(10-43)28(31)14-47)20-5-35(52)38(36(53)6-20)55-18-32-29(15-48)25(11-44)22(8-41)26(12-45)30(32)16-49/h3-6H,7-18H2,1-2H3",C39H34Br14O2,,,,,,UFHKIVYAUNQXBR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.964,281-385-4,83949-26-2,1-[[4-(3-chlorophenyl)-4-piperidyl]carbonyl]pyrrolidine,4-(3-chlorophenyl)-4-(pyrrolidin-1-ylcarbonyl)piperidine,Clc1cccc(c1)C2(CCNCC2)C(=O)N3CCCC3,Clc1cccc(c1)C2(CCNCC2)C(=O)N3CCCC3,"InChI=1/C16H21ClN2O/c17-14-5-3-4-13(12-14)16(6-8-18-9-7-16)15(20)19-10-1-2-11-19/h3-5,12,18H,1-2,6-11H2",C16H21ClN2O,,,,,,CNLLZFMYHPQEGU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.044,279-273-5,79799-34-1,Ethyl octahydro-1H-indole-2-carboxylate hydrochloride,ethyl octahydro-1H-indole-2-carboxylate hydrochloride,Cl.CCOC(=O)C1CC2CCCCC2N1,Cl.CCOC(=O)C1CC2CCCCC2N1,"InChI=1/C11H19NO2.ClH/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;/h8-10,12H,2-7H2,1H3;1H",C11H19NO2.ClH,,,,,,TWGKMVURZNPDDC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.055,279-285-0,79817-54-2,3-chloro-N-[4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl]propionamide,3-chloro-N-[4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl]propanamide,Cc1cc(O)n(n1)c2ccc(NC(=O)CCCl)cc2,Cc1cc(O)n(n1)c2ccc(NC(=O)CCCl)cc2,"InChI=1/C13H14ClN3O2/c1-9-8-13(19)17(16-9)11-4-2-10(3-5-11)15-12(18)6-7-14/h2-5,8,19H,6-7H2,1H3,(H,15,18)",C13H14ClN3O2,,,,,,AIGXMJFHKVXZEO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.259,277-307-3,73167-24-5,"2-[[5-[(1-amino-9,10-dioxo-4-anthryl)amino]-2-methoxyphenyl]sulphonyl]ethyl hydrogen sulphate","2-({5-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-2-methoxyphenyl}sulfonyl)ethyl hydrogen sulfate",COc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1S(=O)(=O)CCOS(=O)(=O)O,COc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C23H20N2O9S2/c1-33-18-9-6-13(12-19(18)35(28,29)11-10-34-36(30,31)32)25-17-8-7-16(24)20-21(17)23(27)15-5-3-2-4-14(15)22(20)26/h2-9,12,25H,10-11,24H2,1H3,(H,30,31,32)",C23H20N2O9S2,,,,,,XDPWPTVQRHDJAK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.262,277-311-5,73180-09-3,Fluorotetradecane,1-fluorotetradecane,CCCCCCCCCCCCCCF,CCCCCCCCCCCCCCF,"InChI=1/C14H29F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",C14H29F,,,,,,YRDSYPITPPQNED-UHFFFAOYSA-N,,,,,,,,,,,
100.070.266,277-315-7,73195-14-9,"Ethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione","1-ethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione",CCOc1cccc2c1nc3c4ccc5c6nc7ccccc7n6C(=O)c8ccc(C(=O)n23)c4c58,CCOc1cccc2c1nc3c4ccc5c6nc7ccccc7n6C(=O)c8ccc(C(=O)n23)c4c58,"InChI=1/C28H16N4O3/c1-2-35-21-9-5-8-20-24(21)30-26-15-11-10-14-22-16(12-13-17(23(15)22)28(34)32(20)26)27(33)31-19-7-4-3-6-18(19)29-25(14)31/h3-13H,2H2,1H3",C28H16N4O3,,,,,,SLSFMTUBMOHAAN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.021,269-344-9,68227-30-5,"Formic acid, compound with 1,4-diazabicyclo[2.2.2]octane","formic acid - 1,4-diazabicyclo[2.2.2]octane (1:1)",OC=O.C1CN2CCN1CC2,OC=O.C1CN2CCN1CC2,"InChI=1/C6H12N2.CH2O2/c1-2-8-5-3-7(1)4-6-8;2-1-3/h1-6H2;1H,(H,2,3)",C6H12N2.xCH2O2,,,,,,RZFWYPYJSLNLRF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.025,269-349-6,68227-37-2,"2,6-bis[o-tolylazo]resorcinol","2,4-bis[(2-methylphenyl)diazenyl]benzene-1,3-diol",Oc2c(ccc(O)c2N=Nc1ccccc1C)N=Nc3ccccc3C,Oc2c(ccc(O)c2N=Nc1ccccc1C)N=Nc3ccccc3C,"InChI=1/C20H18N4O2/c1-13-7-3-5-9-15(13)21-23-17-11-12-18(25)19(20(17)26)24-22-16-10-6-4-8-14(16)2/h3-12,25-26H,1-2H3",C20H18N4O2,,,,,,IRUFHVUXHIIHIY-UHFFFAOYSA-N,,,,,,,,,,,
100.063.029,269-353-8,68227-41-8,"Tetrasodium 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bisnaphthalene-1,3-disulphonate","tetrasodium 7-({4-[({4-[(6,8-disulfonato-2-naphthyl)diazenyl]-2-methoxyphenyl}carbamoyl)amino]-3-methoxyphenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[Na+].COc4cc(ccc4NC(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)N=Nc5cc6c(cc(cc6cc5)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc4cc(ccc4NC(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)N=Nc5cc6c(cc(cc6cc5)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H28N6O15S4.4Na/c1-55-31-15-23(40-38-21-5-3-19-11-25(57(43,44)45)17-33(27(19)13-21)59(49,50)51)7-9-29(31)36-35(42)37-30-10-8-24(16-32(30)56-2)41-39-22-6-4-20-12-26(58(46,47)48)18-34(28(20)14-22)60(52,53)54;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C35H28N6O15S4.4Na,,,,,,IYQIZSSDYZJUES-UHFFFAOYSA-J,,,,,,,,,,,
100.063.033,269-358-5,68227-46-3,"Lactic acid, compound with 3-[2-(dimethylamino)ethyl] 1-(2-ethylhexyl) toluene-2,4-dicarbamate (1:1)",2-hydroxypropanoic acid - 5-{[(2-ethylhexyl)carbamoyl]oxy}-2-methylphenyl [2-(dimethylamino)ethyl]carbamate (1:1) (non-preferred name),CCCCC(CC)CNC(=O)Oc1ccc(C)c(OC(=O)NCCN(C)C)c1.CC(O)C(=O)O,CCCCC(CC)CNC(=O)Oc1ccc(C)c(OC(=O)NCCN(C)C)c1.CC(O)C(=O)O,"InChI=1/C21H35N3O4.C3H6O3/c1-6-8-9-17(7-2)15-23-21(26)27-18-11-10-16(3)19(14-18)28-20(25)22-12-13-24(4)5;1-2(4)3(5)6/h10-11,14,17H,6-9,12-13,15H2,1-5H3,(H,22,25)(H,23,26);2,4H,1H3,(H,5,6)",C21H35N3O4.C3H6O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14530,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.033,RAPJDIISPXBNSG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.039,269-364-8,68227-52-1,3-hydroxynonyl isobutyrate,3-hydroxynonyl 2-methylpropanoate,CCCCCCC(O)CCOC(=O)C(C)C,CCCCCCC(O)CCOC(=O)C(C)C,"InChI=1/C13H26O3/c1-4-5-6-7-8-12(14)9-10-16-13(15)11(2)3/h11-12,14H,4-10H2,1-3H3",C13H26O3,,,,,,BKLLEFBQDROZNE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.040,269-365-3,68227-53-2,3-hydroxynonyl formate,3-hydroxynonyl formate,CCCCCCC(O)CCOC=O,CCCCCCC(O)CCOC=O,"InChI=1/C10H20O3/c1-2-3-4-5-6-10(12)7-8-13-9-11/h9-10,12H,2-8H2,1H3",C10H20O3,,,,,,CVKJUIUKJHCMER-UHFFFAOYSA-N,,,,,,,,,,,
100.063.041,269-366-9,68227-54-3,"1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-[bis(2-aminoethyl)amino]propan-2-ol]","1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis{3-[bis(2-aminoethyl)amino]propan-2-ol}",CC(C)(c1ccc(OCC(O)CN(CCN)CCN)cc1)c2ccc(OCC(O)CN(CCN)CCN)cc2,CC(C)(c1ccc(OCC(O)CN(CCN)CCN)cc1)c2ccc(OCC(O)CN(CCN)CCN)cc2,"InChI=1/C29H50N6O4/c1-29(2,23-3-7-27(8-4-23)38-21-25(36)19-34(15-11-30)16-12-31)24-5-9-28(10-6-24)39-22-26(37)20-35(17-13-32)18-14-33/h3-10,25-26,36-37H,11-22,30-33H2,1-2H3",C29H50N6O4,,,,,,FYGFNBBAJLHGHA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.044,269-370-0,68227-57-6,"2-[[1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoic acid","2-{[1-(2-ethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid",OC(=O)c3ccccc3N=NC2C(\\C)=N/N(c1ccccc1CC)C2=O,OC(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccccc1CC)C2=O,"InChI=1/C19H18N4O3/c1-3-13-8-4-7-11-16(13)23-18(24)17(12(2)22-23)21-20-15-10-6-5-9-14(15)19(25)26/h4-11,17H,3H2,1-2H3,(H,25,26)",C19H18N4O3,,,,,,BVQXMAJFIDNCPG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.053,269-380-5,68227-68-9,3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chlorobenzenesulphonic acid,3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chlorobenzenesulfonic acid,Cc1cc(N)n(n1)c2cc(ccc2Cl)S(=O)(=O)O,Cc1cc(N)n(n1)c2cc(ccc2Cl)S(=O)(=O)O,"InChI=1/C10H10ClN3O3S/c1-6-4-10(12)14(13-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-5H,12H2,1H3,(H,15,16,17)",C10H10ClN3O3S,,,,,,LVSMGNXVKQOJGO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.967,279-188-3,79570-08-4,"3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acrylonitrile","3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acrylonitrile",CC1(C)C2CCC(\\C=C\\C#N)C1C2,CC1(C)C2CCC(\C=C\C#N)C1C2,"InChI=1/C12H17N/c1-12(2)10-6-5-9(4-3-7-13)11(12)8-10/h3-4,9-11H,5-6,8H2,1-2H3",C12H17N,,,,,,CNTLYFYZUXZSBL-ONEGZZNKSA-N,,,,,,,,,,,
100.071.974,279-196-7,79614-51-0,"Ethyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate","ethyl 2-ethoxy-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate",CCOC(=O)C1=CN(CC)c2nc(OCC)ncc2C1=O,CCOC(=O)C1=CN(CC)c2nc(OCC)ncc2C1=O,"InChI=1/C14H17N3O4/c1-4-17-8-10(13(19)20-5-2)11(18)9-7-15-14(21-6-3)16-12(9)17/h7-8H,4-6H2,1-3H3",C14H17N3O4,,,,,,PJWDDSNRKHPOOM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.982,279-204-9,79641-28-4,"1-amino-9,10-dihydro-4-[[5-[(2-hydroxyethyl)sulphonyl]-2-methoxyphenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-({5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",COc1ccc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)S(=O)(=O)CCO,COc1ccc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)S(=O)(=O)CCO,"InChI=1/C23H20N2O9S2/c1-34-17-7-6-12(35(29,30)9-8-26)10-15(17)25-16-11-18(36(31,32)33)21(24)20-19(16)22(27)13-4-2-3-5-14(13)23(20)28/h2-7,10-11,25-26H,8-9,24H2,1H3,(H,31,32,33)",C23H20N2O9S2,,,,,,DJOIECWJTNHXBB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.828,281-235-8,83898-27-5,"1-[4,4-bis(4-fluorophenyl)but-3-enyl]piperazinediylium dinitrate","1-[4,4-bis(4-fluorophenyl)but-3-en-1-yl]piperazinediium dinitrate",[O-][N+](=O)[O-].[O-][N+](=O)[O-].Fc1ccc(cc1)C(=CCC[NH+]2CC[NH2+]CC2)c3ccc(F)cc3,[O-][N+](=O)[O-].[O-][N+](=O)[O-].Fc1ccc(cc1)C(=CCC[NH+]2CC[NH2+]CC2)c3ccc(F)cc3,"InChI=1/C20H22F2N2.2NO3/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24;2*2-1(3)4/h2-10,23H,1,11-15H2;;/q;2*-1/p+2",C20H22F2N2.2HNO3,,,,,,OMZLDXXRGCSYIA-UHFFFAOYSA-P,,,,,,,,,,,
100.073.846,281-255-7,83898-45-7,"Decyl 5-[[3-(decyloxy)-3-oxopropyl]thio]-5-dodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate","decyl 5-{[3-(decyloxy)-3-oxopropyl]sulfanyl}-5-dodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosan-1-oate",CCCCCCCCCCCC[Sn](SCCC(=O)OCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC,CCCCCCCCCCCC[Sn](SCCC(=O)OCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC,"InChI=1/3C13H26O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;1-3-5-7-9-11-12-10-8-6-4-2;/h3*16H,2-12H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC51H100O6S3Sn/c1-5-9-13-17-21-25-26-30-34-38-48-61(58-45-39-49(52)55-42-35-31-27-22-18-14-10-6-2,59-46-40-50(53)56-43-36-32-28-23-19-15-11-7-3)60-47-41-51(54)57-44-37-33-29-24-20-16-12-8-4/h5-48H2,1-4H3",C51H100O6S3Sn,,,,,,SYUDBSXLEWBGBL-UHFFFAOYSA-K,,,,,,,,,,,
100.073.847,281-256-2,83898-46-8,"Dodecyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate","dodecyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosan-1-oate",CCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,"InChI=1/2C15H30O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*18H,2-14H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC54H108O4S2Sn/c1-5-9-13-17-21-25-29-33-37-41-47-57-53(55)45-49-59-61(51-43-39-35-31-27-23-19-15-11-7-3,52-44-40-36-32-28-24-20-16-12-8-4)60-50-46-54(56)58-48-42-38-34-30-26-22-18-14-10-6-2/h5-52H2,1-4H3",C54H108O4S2Sn,,,,,,GQTPZNSBPRIUNL-UHFFFAOYSA-L,,,,,,,,,,,
100.073.848,281-257-8,83898-47-9,"Tetradecyl 5-butyl-9-oxo-5-[[3-oxo-3-(tetradecyloxy)propyl]thio]-10-oxa-4,6-dithia-5-stannatetracosanoate","tetradecyl 5-butyl-9-oxo-5-{[3-oxo-3-(tetradecyloxy)propyl]sulfanyl}-10-oxa-4,6-dithia-5-stannatetracosan-1-oate",CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(SCCC(=O)OCCCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(SCCC(=O)OCCCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/3C17H34O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;1-3-4-2;/h3*20H,2-16H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC55H108O6S3Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-46-59-53(56)43-49-62-65(52-12-8-4,63-50-44-54(57)60-47-41-38-35-32-29-26-23-20-17-14-10-6-2)64-51-45-55(58)61-48-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-52H2,1-4H3",C55H108O6S3Sn,,,,,,NDIOMCBHDHVJSZ-UHFFFAOYSA-K,,,,,,,,,,,
100.073.852,281-262-5,83898-51-5,"Dodecyl 5-dodecyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate","dodecyl 5-dodecyl-5-{[3-(dodecyloxy)-3-oxopropyl]sulfanyl}-9-oxo-10-oxa-4,6-dithia-5-stannadocosan-1-oate",CCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,"InChI=1/3C15H30O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;1-3-5-7-9-11-12-10-8-6-4-2;/h3*18H,2-14H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC57H112O6S3Sn/c1-5-9-13-17-21-25-29-33-37-41-48-61-55(58)45-51-64-67(54-44-40-36-32-28-24-20-16-12-8-4,65-52-46-56(59)62-49-42-38-34-30-26-22-18-14-10-6-2)66-53-47-57(60)63-50-43-39-35-31-27-23-19-15-11-7-3/h5-54H2,1-4H3",C57H112O6S3Sn,,,,,,SFOVFSWMVXPNTJ-UHFFFAOYSA-K,,,,,,,,,,,
100.067.756,274-555-4,70321-15-2,"Ethyl N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)-ß-alaninate","ethyl N-(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-beta-alaninate",CCOC(=O)CCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,CCOC(=O)CCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H17NO5/c1-2-25-15(22)9-10-20-13-7-8-14(21)17-16(13)18(23)11-5-3-4-6-12(11)19(17)24/h3-8,20-21H,2,9-10H2,1H3",C19H17NO5,,,,,,AMWRPHGVAUGJDB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.897,276-910-9,72829-24-4,"Trisodium 1-amino-4-[[3-[[4-chloro-6-[(2-methyl-4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-{[3-({4-chloro-6-[(2-methyl-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].Cc1cc(ccc1Nc2nc(Cl)nc(Nc3cc(Nc4cc(c(N)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])n2)S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1cc(ccc1Nc2nc(Cl)nc(Nc3cc(Nc4cc(c(N)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)[O-])ccc3S(=O)(=O)[O-])n2)S(=O)(=O)[O-],"InChI=1/C30H22ClN7O11S3.3Na/c1-13-10-15(50(41,42)43)7-8-18(13)34-29-36-28(31)37-30(38-29)35-19-11-14(6-9-21(19)51(44,45)46)33-20-12-22(52(47,48)49)25(32)24-23(20)26(39)16-4-2-3-5-17(16)27(24)40;;;/h2-12,33H,32H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,34,35,36,37,38);;;/q;3*+1/p-3",C30H22ClN7O11S3.3Na,,,,,,GDGCDFSPBXJJSF-UHFFFAOYSA-K,,,,,,,,,,,
100.069.900,276-914-0,72829-27-7,"Trisodium 3-[[2-(acetylamino)-4-[[4-chloro-6-[(2-sulphonatoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,5-disulphonate","trisodium 3-{[2-acetamido-4-({4-chloro-6-[(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc3cc(NC(C)=O)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(NCCS([O-])(=O)=O)n4,[Na+].[Na+].[Na+].Clc4nc(Nc3cc(NC(C)=O)c(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(NCCS([O-])(=O)=O)n4,"InChI=1/C23H21ClN8O10S3.3Na/c1-12(33)26-18-10-13(27-23-29-21(24)28-22(30-23)25-7-8-43(34,35)36)5-6-17(18)32-31-14-9-16-15(20(11-14)45(40,41)42)3-2-4-19(16)44(37,38)39;;;/h2-6,9-11H,7-8H2,1H3,(H,26,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,25,27,28,29,30);;;/q;3*+1/p-3",C23H21ClN8O10S3.3Na,,,,,,OHIIVMIIWKYIIL-UHFFFAOYSA-K,,,,,,,,,,,
100.069.901,276-915-6,72829-28-8,"Trisodium 2-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]toluene-2,5-disulphonate","trisodium 4-({6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-3-methylcyclohexa-1,5-diene-1,4-disulfonate",[Na+].[Na+].[Na+].Clc4c(Nc2cc3cc(c(N=NC1(/C=C\\C(=C/C1C)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(F)nc4F,[Na+].[Na+].[Na+].Clc4c(Nc2cc3cc(c(N=NC1(/C=C\C(=C/C1C)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(F)nc4F,"InChI=1/C21H16ClF2N5O10S3.3Na/c1-9-6-12(40(31,32)33)4-5-21(9,42(37,38)39)29-28-16-14(41(34,35)36)8-10-7-11(2-3-13(10)17(16)30)25-19-15(22)18(23)26-20(24)27-19;;;/h2-9,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3",C21H14ClF2N5O10S3.3Na,,,,,,YWQJSHPJURCCBV-UHFFFAOYSA-K,,,,,,,,,,,
100.069.903,276-917-7,72829-30-2,5-[[4-(aminosulphonyl)-2-nitrophenyl]amino]-2-anilinobenzenesulphonic acid,2-anilino-5-[(2-nitro-4-sulfamoylphenyl)amino]benzenesulfonic acid,NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c(c2)S(=O)(=O)O)c(c1)[N+](=O)[O-],NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c(c2)S(=O)(=O)O)c(c1)[N+](=O)[O-],"InChI=1/C18H16N4O7S2/c19-30(25,26)14-7-9-15(17(11-14)22(23)24)21-13-6-8-16(18(10-13)31(27,28)29)20-12-4-2-1-3-5-12/h1-11,20-21H,(H2,19,25,26)(H,27,28,29)",C18H16N4O7S2,,,,,,DTPZBFSWSXHTAX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.907,276-921-9,72829-40-4,"Tetrasodium 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]",tetrasodium 2-{[2-(carbamoylamino)-4-({[3-(carbamoylamino)-4-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]carbamoyl}amino)phenyl]diazenyl}-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc6ccc(N=Nc2ccc(cc2NC(N)=O)NC(=O)Nc5ccc(N=Nc3ccc(cc3S([O-])(=O)=O)N=Nc4ccc(cc4)S([O-])(=O)=O)c(NC(N)=O)c5)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc6ccc(N=Nc2ccc(cc2NC(N)=O)NC(=O)Nc5ccc(N=Nc3ccc(cc3S([O-])(=O)=O)N=Nc4ccc(cc4)S([O-])(=O)=O)c(NC(N)=O)c5)c(c6)S([O-])(=O)=O,"InChI=1/C39H32N14O15S4.4Na/c40-37(54)44-33-17-23(5-13-29(33)50-52-31-15-7-25(19-35(31)71(63,64)65)48-46-21-1-9-27(10-2-21)69(57,58)59)42-39(56)43-24-6-14-30(34(18-24)45-38(41)55)51-53-32-16-8-26(20-36(32)72(66,67)68)49-47-22-3-11-28(12-4-22)70(60,61)62;;;;/h1-20H,(H3,40,44,54)(H3,41,45,55)(H2,42,43,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C39H32N14O15S4.4Na,,,,,,XUWJQQLWBONKLM-UHFFFAOYSA-J,,,,,,,,,,,
100.066.016,272-639-5,68900-87-8,(E)-dodec-3-en-1-ol,dodec-3-en-1-ol,CCCCCCCC\\C=C\\CCO,CCCCCCCC\C=C\CCO,"InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,13H,2-8,11-12H2,1H3",C12H24O,,,,,,BDGQTWOHKASHQU-MDZDMXLPSA-N,,,,,,,,,,,
100.066.027,272-651-0,68901-08-6,"N-[2-[(2,4-dinitrophenyl)azo]-5-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxyphenyl]acetamide","N-{2-[(2,4-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxyphenyl}acetamide",COc2cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc2NCC(O)COC)NC(C)=O,COc2cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc2NCC(O)COC)NC(C)=O,"InChI=1/C19H22N6O8/c1-11(26)21-15-7-17(20-9-13(27)10-32-2)19(33-3)8-16(15)23-22-14-5-4-12(24(28)29)6-18(14)25(30)31/h4-8,13,20,27H,9-10H2,1-3H3,(H,21,26)",C19H22N6O8,,,,,,AQXNELWSQUVQKO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.058,279-288-7,79817-57-5,"1-[(4-hydroxyphenyl)amino]-4-[(3,3,5-trimethylcyclohexyl)amino]anthraquinone","1-[(4-hydroxyphenyl)amino]-4-[(3,3,5-trimethylcyclohexyl)amino]-9,10-anthraquinone",CC1CC(CC(C)(C)C1)Nc2ccc(Nc3ccc(O)cc3)c4C(=O)c5ccccc5C(=O)c24,CC1CC(CC(C)(C)C1)Nc2ccc(Nc3ccc(O)cc3)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C29H30N2O3/c1-17-14-19(16-29(2,3)15-17)31-24-13-12-23(30-18-8-10-20(32)11-9-18)25-26(24)28(34)22-7-5-4-6-21(22)27(25)33/h4-13,17,19,30-32H,14-16H2,1-3H3",C29H30N2O3,,,,,,PSBKGZRXQNIMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.072.060,279-290-8,79817-60-0,3-amino-4-hydroxy-N-phenylbenzenesulphonamide monohydrochloride,3-amino-4-hydroxy-N-phenylbenzenesulfonamide hydrochloride,Cl.Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2,Cl.Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2,"InChI=1/C12H12N2O3S.ClH/c13-11-8-10(6-7-12(11)15)18(16,17)14-9-4-2-1-3-5-9;/h1-8,14-15H,13H2;1H",C12H12N2O3S.ClH,,,,,,AVSIGZZPHTUUCM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.061,279-291-3,79817-61-1,"Dipotassium 5-amino-4-hydroxybenzene-1,3-disulphonate","dipotassium 5-amino-4-hydroxybenzene-1,3-disulfonate",[K+].[K+].Nc1cc(cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].[K+].Nc1cc(cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H7NO7S2.2K/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,8H,7H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",C6H7NO7S2.2K,,,,,,HVGAJEQHFLNKAE-UHFFFAOYSA-L,,,,,,,,,,,
100.072.062,279-292-9,79817-62-2,4-hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulphonamide,4-hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulfonamide,COCCCNS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],COCCCNS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C10H14N2O6S/c1-18-6-2-5-11-19(16,17)8-3-4-10(13)9(7-8)12(14)15/h3-4,7,11,13H,2,5-6H2,1H3",C10H14N2O6S,,,,,,BPBAFZGGKPLCHG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.072,279-303-7,79817-72-4,"9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulphonic acid","1,5-dihydroxy-4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonic acid",Oc1cc(c(c2C(=O)c3c(O)c(cc(c3C(=O)c12)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O,Oc1cc(c(c2C(=O)c3c(O)c(cc(c3C(=O)c12)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C14H6N2O14S2/c17-4-2-5(31(25,26)27)11(16(23)24)9-8(4)13(19)7-3(15(21)22)1-6(32(28,29)30)12(18)10(7)14(9)20/h1-2,17-18H,(H,25,26,27)(H,28,29,30)",C14H6N2O14S2,,,,,,YEIIKKSKTYPMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.198,282-744-8,84370-84-3,"4,5-dihydro-5,5-diphenyl-1,2,4-triazin-3(2H)-one","5,5-diphenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one",O=C1NN=CC(N1)(c2ccccc2)c3ccccc3,O=C1NN=CC(N1)(c2ccccc2)c3ccccc3,"InChI=1/C15H13N3O/c19-14-17-15(11-16-18-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)",C15H13N3O,,,,,,WZXZNISCHFZYET-UHFFFAOYSA-N,,,,,,,,,,,
100.075.209,282-756-3,84394-98-9,Lead bis(p-octylphenolate),-,[Pb+2].[O-]c1ccc(CCCCCCCC)cc1.CCCCCCCCc1ccc([O-])cc1,[Pb+2].[O-]c1ccc(CCCCCCCC)cc1.CCCCCCCCc1ccc([O-])cc1,"InChI=1/2C14H22O.Pb.2H/c2*1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;;;/h2*9-12,15H,2-8H2,1H3;;;/q;;+4;;/p-2/r2C14H22O.H2Pb/c2*1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h2*9-12,15H,2-8H2,1H3;1H2/q;;+4/p-2",C14H22O.1/2Pb,,,,,,JLYATELDAHVHGW-UHFFFAOYSA-L,,,,,,,,,,,
100.073.986,281-410-9,83949-49-9,"Sodium m-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonate","sodium 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].CC1=NN(C(=N)C1)c2cccc(c2)S(=O)(=O)[O-],[Na+].CC1=NN(C(=N)C1)c2cccc(c2)S(=O)(=O)[O-],"InChI=1/C10H11N3O3S.Na/c1-7-5-10(11)13(12-7)8-3-2-4-9(6-8)17(14,15)16;/h2-4,6,11H,5H2,1H3,(H,14,15,16);/q;+1/p-1",C10H11N3O3S.Na,,,,,,CUZFQBAENHLIPH-UHFFFAOYSA-M,,,,,,,,,,,
100.073.998,281-424-5,83949-64-8,"2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-(2-{4-[(4-ethoxybenzyl)amino]phenyl}vinyl)-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",CCOc1ccc(CNc2ccc(\\C=C\\C3=[N+](C)c4ccc(cc4C3(C)C)C(=O)OC)cc2)cc1.[O-]P(=O)([O-])[O-],CCOc1ccc(CNc2ccc(\C=C\C3=[N+](C)c4ccc(cc4C3(C)C)C(=O)OC)cc2)cc1.[O-]P(=O)([O-])[O-],"InChI=1/C30H32N2O3.H3O4P/c1-6-35-25-15-9-22(10-16-25)20-31-24-13-7-21(8-14-24)11-18-28-30(2,3)26-19-23(29(33)34-5)12-17-27(26)32(28)4;1-5(2,3)4/h7-19H,6,20H2,1-5H3;(H3,1,2,3,4)/p-2",C30H33N2O3.H2O4P,,,,,,IGODDJPMWVGMPB-UHFFFAOYSA-L,,,,,,,,,,,
100.072.084,279-316-8,79828-42-5,"1-benzoyl-4-methyl-6-[(4-methylphenyl)amino]-3H-dibenz[f,ij]isoquinoline-2,7-dione","1-benzoyl-4-methyl-6-[(4-methylphenyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione",Cc1ccc(Nc2cc(C)c3NC(=O)C(=C4c5ccccc5C(=O)c2c34)C(=O)c6ccccc6)cc1,Cc1ccc(Nc2cc(C)c3NC(=O)C(=C4c5ccccc5C(=O)c2c34)C(=O)c6ccccc6)cc1,"InChI=1/C31H22N2O3/c1-17-12-14-20(15-13-17)32-23-16-18(2)28-26-24(21-10-6-7-11-22(21)30(35)25(23)26)27(31(36)33-28)29(34)19-8-4-3-5-9-19/h3-16,32H,1-2H3,(H,33,36)",C31H22N2O3,,,,,,CXIFGXZSENTFLF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.097,279-330-4,79873-41-9,"Sodium hydrogen aniline-2,4-disulphonate","sodium hydrogen 4-aminobenzene-1,3-disulfonate",[Na+].Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H7NO6S2.Na/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);/q;+1/p-2",C6H7NO6S2.xNa,,,,,,JYKSCWRCLLNCHG-UHFFFAOYSA-L,,,,,,,,,,,
100.063.057,269-384-7,68227-72-5,Disodium 8-(phenylamino)-5-[[4-(phenylazo)-6-sulphonato-1-naphthyl]azo]naphthalene-1-sulphonate,disodium 8-anilino-5-{[4-(phenyldiazenyl)-6-sulfonato-1-naphthyl]diazenyl}naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3ccccc3)c4cc(ccc45)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3ccccc3)c4cc(ccc45)S([O-])(=O)=O,"InChI=1/C32H23N5O6S2.2Na/c38-44(39,40)23-14-15-24-26(20-23)29(35-34-22-10-5-2-6-11-22)17-16-27(24)36-37-28-18-19-30(33-21-8-3-1-4-9-21)32-25(28)12-7-13-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C32H23N5O6S2.2Na,,,,,,NNEGULCNRRYWQY-UHFFFAOYSA-L,,,,,,,,,,,
100.075.914,283-535-4,84681-76-5,[(aminocyclohexyl)methyl]aniline,2-[(1-aminocyclohexyl)methyl]aniline,Nc1ccccc1CC2(N)CCCCC2,Nc1ccccc1CC2(N)CCCCC2,"InChI=1/C13H20N2/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-10,14-15H2",C13H20N2,,,,,,YGGKCQDWJXVRPL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.918,283-540-1,84681-80-1,"Barium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-4-[(4-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate (3:2)","barium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-4-[(4-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate (3:2)",[Ba].[Ba].[Ba].[O-]S(=O)(=O)c1ccc(cc1)N=NC3C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)\\C([O-])=O.[O-]S(=O)(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O,[Ba].[Ba].[Ba].[O-]S(=O)(=O)c1ccc(cc1)N=NC3C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)\C([O-])=O.[O-]S(=O)(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O,"InChI=1/2C16H12N4O9S2.3Ba/c2*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h2*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;;3*+2/p-6",C16H12N4O9S2.3/2Ba,,,,,,DSBFRXORYMVRJH-UHFFFAOYSA-H,,,,,,,,,,,
100.075.919,283-541-7,84681-81-2,"Barium 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulphonatophenyl)azo]-1H-pyrazol-1-yl]benzenesulphonate","barium 2,5-dichloro-4-{3-methyl-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O,[Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O,"InChI=1/C16H12Cl2N4O7S2.Ba/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2",C16H12Cl2N4O7S2.Ba,,,,,,DAXHSWBKGACBIT-UHFFFAOYSA-L,,,,,,,,,,,
100.075.923,283-545-9,84681-85-6,"1,3,3-trimethyl-3-(p-tolyl)propyl acetate","1,3-dimethyl-3-(4-methylphenyl)butyl acetate",CC(CC(C)(C)c1ccc(C)cc1)OC(=O)C,CC(CC(C)(C)c1ccc(C)cc1)OC(=O)C,"InChI=1/C15H22O2/c1-11-6-8-14(9-7-11)15(4,5)10-12(2)17-13(3)16/h6-9,12H,10H2,1-5H3",C15H22O2,,,,,,BMHPLNQKERZLCS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.929,283-552-7,84681-91-4,"1,5,8-trimethylbicyclo[3.2.1]octan-8-ol","1,5,8-trimethylbicyclo[3.2.1]octan-8-ol",CC12CCCC(C)(CC1)C2(C)O,CC12CCCC(C)(CC1)C2(C)O,"InChI=1/C11H20O/c1-9-5-4-6-10(2,8-7-9)11(9,3)12/h12H,4-8H2,1-3H3",C11H20O,,,,,,MBWDTSVSVTZUBE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.931,283-554-8,84681-93-6,Sodium 3-(3-chlorophenoxy)propionate,sodium 3-(3-chlorophenoxy)propanoate,[Na+].[O-]C(=O)CCOc1cccc(Cl)c1,[Na+].[O-]C(=O)CCOc1cccc(Cl)c1,"InChI=1/C9H9ClO3.Na/c10-7-2-1-3-8(6-7)13-5-4-9(11)12;/h1-3,6H,4-5H2,(H,11,12);/q;+1/p-1",C9H9ClO3.Na,,,,,,BFZYCNGAQXXVRF-UHFFFAOYSA-M,,,,,,,,,,,
100.075.940,283-564-2,84682-04-2,"4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[benzenesulphonic] acid","4,4'-{(3,3'-dichlorobiphenyl-4,4'-diyl)bis[diazene-2,1-diyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}dibenzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2Cl)c5ccc(N=NC4C(\\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)c(Cl)c5)C6=O,OS(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2Cl)c5ccc(N=NC4C(\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)c(Cl)c5)C6=O,"InChI=1/C32H24Cl2N8O8S2/c1-17-29(31(43)41(39-17)21-5-9-23(10-6-21)51(45,46)47)37-35-27-13-3-19(15-25(27)33)20-4-14-28(26(34)16-20)36-38-30-18(2)40-42(32(30)44)22-7-11-24(12-8-22)52(48,49)50/h3-16,29-30H,1-2H3,(H,45,46,47)(H,48,49,50)",C32H24Cl2N8O8S2,,,,,,BWXBPTMCPUVVKC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.942,283-566-3,84682-06-4,"4,4'-bis[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis({1-[(2-chlorophenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-2,2'-disulfonic acid",Clc4ccccc4NC(=O)C(N=Nc3ccc(c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)C(C)=O,Clc4ccccc4NC(=O)C(N=Nc3ccc(c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)C(C)=O,"InChI=1/C32H26Cl2N6O10S2/c1-17(41)29(31(43)35-25-9-5-3-7-23(25)33)39-37-19-11-13-21(27(15-19)51(45,46)47)22-14-12-20(16-28(22)52(48,49)50)38-40-30(18(2)42)32(44)36-26-10-6-4-8-24(26)34/h3-16,29-30H,1-2H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50)",C32H26Cl2N6O10S2,,,,,,QXCZMNROCAUFDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.270,277-319-9,73210-73-8,Bis[N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide] fumarate,N-(2-{[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)morpholine-4-carboxamide but-2-enedioate (2:1) (salt),OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2.OC(CNCCNC(=O)N3CCOCC3)COc4ccc(O)cc4.OC(=O)\\C=C\\C(=O)O,OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2.OC(CNCCNC(=O)N3CCOCC3)COc4ccc(O)cc4.OC(=O)\C=C\C(=O)O,"InChI=1/2C16H25N3O5.C4H4O4/c2*20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19;5-3(6)1-2-4(7)8/h2*1-4,14,17,20-21H,5-12H2,(H,18,22);1-2H,(H,5,6)(H,7,8)",C16H25N3O5.1/2C4H4O4,,,,,,QEDVGROSOZBGOZ-WXXKFALUSA-N,,,,,,,,,,,
100.073.854,281-264-6,83898-53-7,"Tetradecyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosanoate","tetradecyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosan-1-oate",CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/2C17H34O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;2*1-3-5-7-8-6-4-2;/h2*20H,2-16H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC50H100O4S2Sn/c1-5-9-13-17-21-23-25-27-29-31-33-37-43-53-49(51)41-45-55-57(47-39-35-19-15-11-7-3,48-40-36-20-16-12-8-4)56-46-42-50(52)54-44-38-34-32-30-28-26-24-22-18-14-10-6-2/h5-48H2,1-4H3",C50H100O4S2Sn,,,,,,QAZSVDYMHZISCX-UHFFFAOYSA-L,,,,,,,,,,,
100.073.858,281-268-8,83898-57-1,"Decyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate","decyl 6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dien-1-oate",CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)\\C=C/C(=O)OCCCCCCCCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCC,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)\C=C/C(=O)OCCCCCCCCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCC,"InChI=1/2C14H24O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*10-11H,2-9,12H2,1H3,(H,15,16);2*1,3-12H2,2H3;/q;;;;+2/p-2/rC52H96O8Sn/c1-5-9-13-17-21-25-27-31-35-39-47-61(48-40-36-32-28-26-22-18-14-10-6-2,59-51(55)43-41-49(53)57-45-37-33-29-23-19-15-11-7-3)60-52(56)44-42-50(54)58-46-38-34-30-24-20-16-12-8-4/h41-44H,5-40,45-48H2,1-4H3",C52H96O8Sn,,,,,,GZTPPOUMWQVESL-YFQJWWFYSA-L,,,,,,,,,,,
100.076.482,284-160-9,84788-21-6,1-[(sulphonatophenyl)methyl]pyridinium,2-(pyridinium-1-ylmethyl)benzenesulfonate,[O-]S(=O)(=O)c1ccccc1C[n+]2ccccc2,[O-]S(=O)(=O)c1ccccc1C[n+]2ccccc2,"InChI=1/C12H11NO3S/c14-17(15,16)12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h1-9H,10H2",C12H11NO3S,,,,,,BMOXGRKKKMDDTB-UHFFFAOYSA-N,,,,,,,,,,,
100.076.492,284-171-9,84803-46-3,"4-(4-chlorophenyl)piperidine-2,6-dione","4-(4-chlorophenyl)piperidine-2,6-dione",Clc1ccc(cc1)C2CC(=O)NC(=O)C2,Clc1ccc(cc1)C2CC(=O)NC(=O)C2,"InChI=1/C11H10ClNO2/c12-9-3-1-7(2-4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)",C11H10ClNO2,,,,,,KOZWYRYCGOBBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.076.497,284-177-1,84803-51-0,N-(2-amino-6-chlorophenyl)-N-phenylacetamide,N-(2-amino-6-chlorophenyl)-N-phenylacetamide,CC(=O)N(c1ccccc1)c2c(N)cccc2Cl,CC(=O)N(c1ccccc1)c2c(N)cccc2Cl,"InChI=1/C14H13ClN2O/c1-10(18)17(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)16/h2-9H,16H2,1H3",C14H13ClN2O,,,,,,LGXWAYKZEYBMGW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.019,284-752-7,84962-54-9,Ethyl N-[1-(4-fluorophenyl)ethyl]-N-formyl-3-oxoalaninate,ethyl N-[1-(4-fluorophenyl)ethyl]-N-formyl-3-oxoalaninate,CCOC(=O)C(C=O)N(C=O)C(C)c1ccc(F)cc1,CCOC(=O)C(C=O)N(C=O)C(C)c1ccc(F)cc1,"InChI=1/C14H16FNO4/c1-3-20-14(19)13(8-17)16(9-18)10(2)11-4-6-12(15)7-5-11/h4-10,13H,3H2,1-2H3",C14H16FNO4,,,,,,BFUFOHMVMTXWGL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.025,284-759-5,84962-60-7,Aluminium hydroxymethylbenzenesulphonate,aluminum tris[2-(hydroxymethyl)benzenesulfonate],[Al+3].OCc1ccccc1S(=O)(=O)[O-].OCc2ccccc2S(=O)(=O)[O-].OCc3ccccc3S(=O)(=O)[O-],[Al+3].OCc1ccccc1S(=O)(=O)[O-].OCc2ccccc2S(=O)(=O)[O-].OCc3ccccc3S(=O)(=O)[O-],"InChI=1/3C7H8O4S.Al/c3*8-5-6-3-1-2-4-7(6)12(9,10)11;/h3*1-4,8H,5H2,(H,9,10,11);/q;;;+3/p-3",C7H8O4S.xAl,,,,,,NTKHSWXCYVBDCD-UHFFFAOYSA-K,,,,,,,,,,,
100.077.029,284-763-7,84962-64-1,4-phenyl(phenylmethyl)phenol,3-benzylbiphenyl-4-ol,Oc1ccc(cc1Cc2ccccc2)c3ccccc3,Oc1ccc(cc1Cc2ccccc2)c3ccccc3,"InChI=1/C19H16O/c20-19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-12,14,20H,13H2",C19H16O,,,,,,YZCWXIRNXBSTTB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.042,284-777-3,84962-78-7,"2,3-dimethylpentane-3-thiol","2,3-dimethylpentane-3-thiol",CCC(C)(S)C(C)C,CCC(C)(S)C(C)C,"InChI=1/C7H16S/c1-5-7(4,8)6(2)3/h6,8H,5H2,1-4H3",C7H16S,,,,,,PTDKEPLJMRZWRB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.054,284-790-4,84962-90-3,"[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium sulphamate","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium sulfamate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.NS(=O)(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.NS(=O)(=O)[O-],"InChI=1/C33H31N3.H3NO3S/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;1-5(2,3)4/h5-23H,1-4H3;(H3,1,2,3,4)",C33H32N3.H2NO3S,,,,,,UYQXJFQMPQJAGT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.055,284-792-5,84962-91-4,"[4-[a-(4-anilino-1-naphthyl)-4-(dimethylamino)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium salicylate","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium salicylate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.Oc6ccccc6C(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.Oc6ccccc6C(=O)[O-],"InChI=1/C33H31N3.C7H6O3/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;8-6-4-2-1-3-5(6)7(9)10/h5-23H,1-4H3;1-4,8H,(H,9,10)",C33H32N3.C7H5O3,,,,,,GUABMAUWMBUWQH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.986,279-209-6,79645-28-6,"Decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carbaldehyde","4,8,8-trimethyldecahydro-1,4-methanoazulene-9-carbaldehyde",CC1(C)CCCC2(C)C3CCC(C2C=O)C13,CC1(C)CCCC2(C)C3CCC(C2C=O)C13,"InChI=1/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h9-13H,4-8H2,1-3H3",C15H24O,,,,,,PBMHTGOFWRRJFS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.035,272-659-4,68901-17-7,"Octaammonium [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","octaammonium {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.8H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);8*1H3",C6H20N2O12P4.8H3N,,,,,,NHICMYLKMWMRSW-UHFFFAOYSA-N,,,,,,,,,,,
100.066.040,272-665-7,68901-22-4,"4-[(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl]-2-methylcyclohexan-1-one","4-[(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl]-2-methylcyclohexanone",CC1CC(CC2C3CCC(C3)C2(C)C)CCC1=O,CC1CC(CC2C3CCC(C3)C2(C)C)CCC1=O,"InChI=1/C17H28O/c1-11-8-12(4-7-16(11)18)9-15-13-5-6-14(10-13)17(15,2)3/h11-15H,4-10H2,1-3H3",C17H28O,,,,,,TUCJTYGBRWODLS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.044,272-669-9,68901-32-6,"2-[8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane","2-(8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl)-1,3-dioxolane",CC(C)C1CC2C(CC1C=C2C)C3OCCO3,CC(C)C1CC2C(CC1C=C2C)C3OCCO3,"InChI=1/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3",C15H24O2,,,,,,QSWPBUXWYKVPMT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.767,274-568-5,70321-81-2,"Potassium sodium 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]naphthalene-1,3-disulphonate","potassium sodium 7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[K+].[Na+].[O-]S(=O)(=O)c4cc3ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c3c(c4)S([O-])(=O)=O,[K+].[Na+].[O-]S(=O)(=O)c4cc3ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c3c(c4)S([O-])(=O)=O,"InChI=1/C22H16N4O7S2.K.Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C22H16N4O7S2.xK.xNa,,,,,,PADMNBNLZRYDCV-UHFFFAOYSA-L,,,,,,,,,,,
100.067.769,274-570-6,70321-86-7,"2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol","2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol",CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)n4nc5ccccc5n4,CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)n4nc5ccccc5n4,"InChI=1/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3",C30H29N3O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11135,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.769,OLFNXLXEGXRUOI-UHFFFAOYSA-N,,,,,,,,,,,
100.067.770,274-571-1,70324-51-5,Magnesium diphenyl dicarbonate,-,[Mg+2].O=C(OC(=O)Oc1ccccc1)Oc2ccccc2,[Mg+2].O=C(OC(=O)Oc1ccccc1)Oc2ccccc2,InChI=1/C14H10O5.Mg/c15-13(17-11-7-3-1-4-8-11)19-14(16)18-12-9-5-2-6-10-12;/h1-10H;/q;+2,C7H6O3.1/2Mg,,,,,,HIEOIXVRKMLUFM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.771,274-572-7,70331-94-1,"(1,2-dioxoethylene)bis(iminoethylene) bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]","3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid - 1,6-diiminohexa-1,5-diene-3,4-dione (2:1)",CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.CC(C)(C)c2cc(CCC(=O)O)cc(c2O)C(C)(C)C.N=C=CC(=O)C(=O)C=C=N,CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.CC(C)(C)c2cc(CCC(=O)O)cc(c2O)C(C)(C)C.N=C=CC(=O)C(=O)C=C=N,"InChI=1/2C17H26O3.C6H4N2O2/c2*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;7-3-1-5(9)6(10)2-4-8/h2*9-10,20H,7-8H2,1-6H3,(H,18,19);1-2,7-8H",C40H60N2O8,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17394,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.771,LDQIIDCVIUBDLR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.777,274-579-5,70353-88-7,Bis[[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]methylamino]ethyl]trimethylammonium] tetrachlorozincate,"bis[2-({4-[(2-chloro-4-nitrophenyl)diazenyl]benzyl}amino)-N,N,N-trimethylethanaminium] tetrachlorozincate(2-)",Clc2cc(ccc2N=Nc1ccc(CNCC[N+](C)(C)C)cc1)[N+]([O-])=O.Cl[Zn-2](Cl)(Cl)Cl.C[N+](C)(C)CCNCc1ccc(cc1)N=Nc2ccc(cc2Cl)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(CNCC[N+](C)(C)C)cc1)[N+]([O-])=O.Cl[Zn-2](Cl)(Cl)Cl.C[N+](C)(C)CCNCc1ccc(cc1)N=Nc2ccc(cc2Cl)[N+]([O-])=O,"InChI=1/2C18H23ClN5O2.4ClH.Zn/c2*1-24(2,3)11-10-20-13-14-4-6-15(7-5-14)21-22-18-9-8-16(23(25)26)12-17(18)19;;;;;/h2*4-9,12,20H,10-11,13H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H23ClN5O2.Cl4Zn/c2*1-24(2,3)11-10-20-13-14-4-6-15(7-5-14)21-22-18-9-8-16(23(25)26)12-17(18)19;1-5(2,3)4/h2*4-9,12,20H,10-11,13H2,1-3H3;/q2*+1;-2",C18H23ClN5O2.1/2Cl4Zn,,,,,,SGDCDRNOJSTMPM-UHFFFAOYSA-J,,,,,,,,,,,
100.067.782,274-584-2,70364-24-8,"Dimethyl 5-(N-tosylsulphamoyl)isophthalate, potassium salt",-,[K+].COC(=O)c1cc(cc(c1)S(=O)(=O)NS(=O)(=O)c2ccc(C)cc2)C(=O)OC,[K+].COC(=O)c1cc(cc(c1)S(=O)(=O)NS(=O)(=O)c2ccc(C)cc2)C(=O)OC,"InChI=1/C17H17NO8S2.K/c1-11-4-6-14(7-5-11)27(21,22)18-28(23,24)15-9-12(16(19)25-2)8-13(10-15)17(20)26-3;/h4-10,18H,1-3H3;/q;+1",C17H17NO8S2.K,,,,,,OXYQHDVXFNNEAK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.785,274-587-9,70383-86-7,"4-(3'-methyl-2,2'-spirobi[2H-1-benzopyran]-7-yl)morpholine","4-(3'-methyl-2,2'-spirobi[chromen]-7-yl)morpholine",CC1=Cc2ccccc2OC13Oc4cc(ccc4C=C3)N5CCOCC5,CC1=Cc2ccccc2OC13Oc4cc(ccc4C=C3)N5CCOCC5,"InChI=1/C22H21NO3/c1-16-14-18-4-2-3-5-20(18)25-22(16)9-8-17-6-7-19(15-21(17)26-22)23-10-12-24-13-11-23/h2-9,14-15H,10-13H2,1H3",C22H21NO3,,,,,,XVHYHEGAGVGQJD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.788,274-591-0,70393-85-0,Trisodium hydrogen bis[N-(phosphonatomethyl)aminoacetate],trisodium hydrogen bis[N-(phosphonatomethyl)aminoacetate],[Na+].[Na+].[Na+].[O-]C(=O)CNCP(=O)([O-])[O-].[O-]C(=O)CNCP(=O)([O-])[O-],[Na+].[Na+].[Na+].[O-]C(=O)CNCP(=O)([O-])[O-].[O-]C(=O)CNCP(=O)([O-])[O-],"InChI=1/2C3H8NO5P.3Na/c2*5-3(6)1-4-2-10(7,8)9;;;/h2*4H,1-2H2,(H,5,6)(H2,7,8,9);;;/q;;3*+1/p-6",C3H8NO5P.3/2Na,,,,,,ICESBGJHRQHALQ-UHFFFAOYSA-H,,,,,,,,,,,
100.072.100,279-334-6,79893-20-2,Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate,methyl 5-acetamido-2-methoxy-4-nitrobenzoate,COC(=O)c1cc(NC(=O)C)c(cc1OC)[N+](=O)[O-],COC(=O)c1cc(NC(=O)C)c(cc1OC)[N+](=O)[O-],"InChI=1/C11H12N2O6/c1-6(14)12-8-4-7(11(15)19-3)10(18-2)5-9(8)13(16)17/h4-5H,1-3H3,(H,12,14)",C11H12N2O6,,,,,,HEOLZRXLDUVPQK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.114,279-349-8,79916-07-7,"3,7-bis(diethylamino)phenoxazin-5-ium acetate","3,7-bis(diethylamino)phenoxazin-5-ium acetate",CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.CC(=O)[O-],CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.CC(=O)[O-],"InChI=1/C20H26N3O.C2H4O2/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-2(3)4/h9-14H,5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C20H26N3O.C2H3O2,,,,,,PAQRKFBPHDBILN-UHFFFAOYSA-M,,,,,,,,,,,
100.072.115,279-350-3,79916-51-1,"N,N-dimethyl-4-(4-phenoxyquinazolin-2-yl)aniline","N,N-dimethyl-4-(4-phenoxyquinazolin-2-yl)aniline",CN(C)c1ccc(cc1)c2nc(Oc3ccccc3)c4ccccc4n2,CN(C)c1ccc(cc1)c2nc(Oc3ccccc3)c4ccccc4n2,"InChI=1/C22H19N3O/c1-25(2)17-14-12-16(13-15-17)21-23-20-11-7-6-10-19(20)22(24-21)26-18-8-4-3-5-9-18/h3-15H,1-2H3",C22H19N3O,,,,,,FUZVMZFXKNHVJY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.119,279-355-0,79953-84-7,"Calcium hydrogen 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","calcium hydrogen 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[H+].[Ca+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,[H+].[Ca+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H14N2O10S3.Ca.H2/c1-9-2-5-13(14(6-9)31(24,25)26)18-19-16-12-4-3-11(30(21,22)23)7-10(12)8-15(17(16)20)32(27,28)29;;/h2-8,20H,1H3,(H,21,22,23)(H,24,25,26)(H,27,28,29);;1H/q;+2;+1/p-3",C17H14N2O10S3.Ca,,,,,,ONIUPSGNWSSVST-UHFFFAOYSA-L,,,,,,,,,,,
100.075.656,283-248-4,84589-11-7,"7,7'-methylenebis[3,4-dihydro-3,3-dimethyl-2H-1,4-benzothiazine]","7,7'-methylenebis(3,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine)",CC1(C)CSc2cc(Cc3ccc4NC(C)(C)CSc4c3)ccc2N1,CC1(C)CSc2cc(Cc3ccc4NC(C)(C)CSc4c3)ccc2N1,"InChI=1/C21H26N2S2/c1-20(2)12-24-18-10-14(5-7-16(18)22-20)9-15-6-8-17-19(11-15)25-13-21(3,4)23-17/h5-8,10-11,22-23H,9,12-13H2,1-4H3",C21H26N2S2,,,,,,RMKZWXPGSUJDMO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.999,284-730-7,84962-33-4,"L-glutamic acid, compound with 5-oxo-L-proline (1:1)",5-oxo-L-proline - L-glutamic acid (1:1),N[C@@H](CCC(=O)O)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,N[C@@H](CCC(=O)O)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H9NO4.C5H7NO3/c6-3(5(9)10)1-2-4(7)8;7-4-2-1-3(6-4)5(8)9/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C5H9NO4.C5H7NO3,,,,,,PVBDIBIXFBNAET-RUCXOUQFSA-N,,,,,,,,,,,
100.071.880,279-092-1,79135-91-4,Disodium 5-[[4-[[[4-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate,disodium 5-({4-[(4-{[6-(benzoylamino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}phenyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(NC(=O)c3ccccc3)ccc4c5O)S([O-])(=O)=O)cc6,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(NC(=O)c3ccccc3)ccc4c5O)S([O-])(=O)=O)cc6,"InChI=1/C37H26N6O9S.2Na/c44-31-17-15-28(20-30(31)37(48)49)42-40-25-8-6-22(7-9-25)36(47)38-24-10-12-26(13-11-24)41-43-33-32(53(50,51)52)19-23-18-27(14-16-29(23)34(33)45)39-35(46)21-4-2-1-3-5-21;;/h1-20,44-45H,(H,38,47)(H,39,46)(H,48,49)(H,50,51,52);;/q;2*+1/p-2",C37H26N6O9S.2Na,,,,,,PNAJMARHSNXBLF-UHFFFAOYSA-L,,,,,,,,,,,
100.072.120,279-356-6,79953-85-8,"3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide]","3,3'-{(2-chloro-5-methyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis{4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide}",FC(F)(F)c7cc(NC(=O)c5cc(N=NC(=O)C(Nc1cc(Cl)c(cc1C)NC(C(C)=O)C(=O)N=Nc2cc(ccc2Cl)C(=O)Nc4cc(ccc4Oc3ccc(Cl)cc3)C(F)(F)F)C(C)=O)c(Cl)cc5)c(Oc6ccc(Cl)cc6)cc7,FC(F)(F)c7cc(NC(=O)c5cc(N=NC(=O)C(Nc1cc(Cl)c(cc1C)NC(C(C)=O)C(=O)N=Nc2cc(ccc2Cl)C(=O)Nc4cc(ccc4Oc3ccc(Cl)cc3)C(F)(F)F)C(C)=O)c(Cl)cc5)c(Oc6ccc(Cl)cc6)cc7,"InChI=1/C55H37Cl5F6N8O8/c1-26-20-41(68-49(28(3)76)53(80)74-72-43-22-30(5-17-38(43)59)51(78)70-45-24-32(55(64,65)66)7-19-47(45)82-36-14-10-34(57)11-15-36)39(60)25-40(26)67-48(27(2)75)52(79)73-71-42-21-29(4-16-37(42)58)50(77)69-44-23-31(54(61,62)63)6-18-46(44)81-35-12-8-33(56)9-13-35/h4-25,48-49,67-68H,1-3H3,(H,69,77)(H,70,78)",C55H37Cl5F6N8O8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5548,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.120,JPWBTHLGQBTJMH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.750,281-150-6,83875-88-1,"2,2'-[[3-(tridecyloxy)propyl]imino]bisethanol N-oxide",2-{(2-hydroxyethyl)[3-(tridecyloxy)propyl]nitroryl}ethanol (non-preferred name),CCCCCCCCCCCCCOCCC[N+]([O-])(CCO)CCO,CCCCCCCCCCCCCOCCC[N+]([O-])(CCO)CCO,"InChI=1/C20H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-20-13-14-21(24,15-17-22)16-18-23/h22-23H,2-20H2,1H3",C20H43NO4,,,,,,CFPWTAHHRGNYHK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.755,281-155-3,83877-86-5,2-[chloro(4-methylphenyl)methylene]butyraldehyde,2-[chloro(4-methylphenyl)methylene]butanal,Cc1ccc(cc1)C(Cl)=C(C=O)CC,Cc1ccc(cc1)C(Cl)=C(C=O)CC,"InChI=1/C12H13ClO/c1-3-10(8-14)12(13)11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3",C12H13ClO,,,,,,DDMFRVOYWCFQAL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.757,281-157-4,83877-88-7,1-benzyl-3-bromo-4-piperidone hydrobromide,1-benzyl-3-bromopiperidin-4-one hydrobromide,Br.BrC1CN(Cc2ccccc2)CCC1=O,Br.BrC1CN(Cc2ccccc2)CCC1=O,"InChI=1/C12H14BrNO.BrH/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H",C12H14BrNO.BrH,,,,,,WAXUDOAUXCKKAK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.271,277-320-4,73215-38-0,"Hydrogen [4-[[4-(diethylamino)phenyl][4-[ethyl(sulphonatobenzyl)amino]-o-tolyl]methylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(sulphonatobenzyl)ammonium","hydrogen 2-({[4-([4-(diethylamino)phenyl]{4-[ethyl(2-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate",[H+].C\\C4=C\\C(\\C=C/C4=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(Cc3ccccc3S([O-])(=O)=O)CC)=[N+](CC)Cc5ccccc5S([O-])(=O)=O,[H+].C\C4=C\C(\C=C/C4=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(Cc3ccccc3S([O-])(=O)=O)CC)=[N+](CC)Cc5ccccc5S([O-])(=O)=O,"InChI=1/C43H49N3O6S2.H2/c1-7-44(8-2)36-21-19-33(20-22-36)43(39-25-23-37(27-31(39)5)45(9-3)29-34-15-11-13-17-41(34)53(47,48)49)40-26-24-38(28-32(40)6)46(10-4)30-35-16-12-14-18-42(35)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);1H/q;+1/p-1",C43H49N3O6S2,,,,,,FTDZTBPXTOGTDS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.276,277-326-7,73246-85-2,"Dodecyl 4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate","dodecyl 4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosan-1-oate",CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCCCCCCCC,"InChI=1/2C14H28O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;2*1-3-5-7-8-6-4-2;/h2*17H,2-13H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC44H88O4S2Sn/c1-5-9-13-17-21-23-25-27-29-33-37-47-43(45)41-49-51(39-35-31-19-15-11-7-3,40-36-32-20-16-12-8-4)50-42-44(46)48-38-34-30-28-26-24-22-18-14-10-6-2/h5-42H2,1-4H3",C44H88O4S2Sn,,,,,,KJVWFJPPXNGPTJ-UHFFFAOYSA-L,,,,,,,,,,,
100.070.279,277-329-3,73251-32-8,2-(methylphenylamino)-2-oxoethyl acetate,2-[methyl(phenyl)amino]-2-oxoethyl acetate,CN(C(=O)COC(=O)C)c1ccccc1,CN(C(=O)COC(=O)C)c1ccccc1,"InChI=1/C11H13NO3/c1-9(13)15-8-11(14)12(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3",C11H13NO3,,,,,,FPIURKVYZFPGJO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.284,277-335-6,73263-40-8,Strontium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate],strontium bis{5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate},[Sr+2].Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=Nc1c2ccccc2ccc1O,[Sr+2].Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C17H13ClN2O4S.Sr/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",C17H13ClN2O4S.1/2Sr,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11405,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.284,GIWRCSUZRBTMDC-UHFFFAOYSA-L,,,,,,,,,,,
100.070.289,277-340-3,73275-65-7,"Ethyl 5-[5-acetamido-2-methoxy-4-[(5-nitrothiazol-2-yl)azo]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate","({5-acetamido-2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}imino)diethane-2,1-diyl diethyl biscarbonate",CCOC(=O)OCCN(CCOC(=O)OCC)c2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2OC,CCOC(=O)OCCN(CCOC(=O)OCC)c2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2OC,"InChI=1/C22H28N6O10S/c1-5-35-21(30)37-9-7-27(8-10-38-22(31)36-6-2)17-11-15(24-14(3)29)16(12-18(17)34-4)25-26-20-23-13-19(39-20)28(32)33/h11-13H,5-10H2,1-4H3,(H,24,29)",C22H28N6O10S,,,,,,ODIFKPQLBOSKKI-UHFFFAOYSA-N,,,,,,,,,,,
100.070.291,277-342-4,73276-70-7,N-ethylcarbazole-3-carbaldehyde diphenylhydrazone,3-(diphenylcarbonohydrazonoyl)-9-ethyl-9H-carbazole,CCn5c1ccccc1c4cc(C=NN(c2ccccc2)c3ccccc3)ccc45,CCn5c1ccccc1c4cc(C=NN(c2ccccc2)c3ccccc3)ccc45,"InChI=1/C27H23N3/c1-2-29-26-16-10-9-15-24(26)25-19-21(17-18-27(25)29)20-28-30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,2H2,1H3",C27H23N3,,,,,,CEAPHJPESODIQL-UHFFFAOYSA-N,,,,,,,,,,,
100.070.292,277-344-5,73280-79-2,"4-[(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]benzene-1,3-disulphonic acid","4-[(5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzene-1,3-disulfonic acid",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1ccc(cc1S(O)(=O)=O)S(O)(=O)=O)=C(\\O)N2CC,O=C2C(/C#N)=C(/C)\C(\N=Nc1ccc(cc1S(O)(=O)=O)S(O)(=O)=O)=C(\O)N2CC,"InChI=1/C15H14N4O8S2/c1-3-19-14(20)10(7-16)8(2)13(15(19)21)18-17-11-5-4-9(28(22,23)24)6-12(11)29(25,26)27/h4-6,21H,3H2,1-2H3,(H,22,23,24)(H,25,26,27)",C15H14N4O8S2,,,,,,GUSVOAPXYDAHPH-UHFFFAOYSA-N,,,,,,,,,,,
100.063.066,269-394-1,68227-98-5,4-[methyl[(tridecafluorohexyl)sulphonyl]amino]butyl acrylate,4-{methyl[(tridecafluorohexyl)sulfonyl]amino}butyl acrylate,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCCCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H14F13NO4S/c1-3-8(29)32-7-5-4-6-28(2)33(30,31)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h3H,1,4-7H2,2H3",C14H14F13NO4S,,,,,,JLUHIZCVSXFBEG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.072,269-400-2,68228-05-7,"6,10-dimethylundecadien-2-one","6,10-dimethylundeca-3,5-dien-2-one",CC(C)CCCC(C)=CC=CC(C)=O,CC(C)CCCC(C)=CC=CC(C)=O,"InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6,9-11H,5,7-8H2,1-4H3",C13H22O,,,,,,HBZBROBMQHJIBO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.073,269-401-8,68228-06-8,4-methyl-1-oxaspiro[5.5]undecene,4-methyl-1-oxaspiro[5.5]undec-2-ene,CC1CC2(CCCCC2)OC=C1,CC1CC2(CCCCC2)OC=C1,"InChI=1/C11H18O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h5,8,10H,2-4,6-7,9H2,1H3",C11H18O,,,,,,WJHAXQNOQJKTQV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.079,269-408-6,68235-57-4,4-methylhex-5-enal,4-methylhex-5-enal,CC(CCC=O)C=C,CC(CCC=O)C=C,"InChI=1/C7H12O/c1-3-7(2)5-4-6-8/h3,6-7H,1,4-5H2,2H3",C7H12O,,,,,,ONNBZNJCHJAMQS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.989,279-212-2,79665-25-1,"Ethyl 4-chloro-3-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoate","ethyl 4-chloro-3-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)benzoate",CCOC(=O)c3cc(N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1)c(Cl)cc3,CCOC(=O)c3cc(N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1)c(Cl)cc3,"InChI=1/C20H18ClN5O5/c1-3-31-19(29)11-4-6-13(21)15(8-11)25-26-17(10(2)27)18(28)22-12-5-7-14-16(9-12)24-20(30)23-14/h4-9,17H,3H2,1-2H3,(H,22,28)(H2,23,24,30)",C20H18ClN5O5,,,,,,CQPRNMLECRNDCD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.991,279-214-3,79665-27-3,3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(p-tolyl)naphthalene-2-carboxamide,3-hydroxy-4-[(2-methyl-4-nitrophenyl)diazenyl]-N-(4-methylphenyl)-2-naphthamide,Cc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(cc3C)[N+]([O-])=O)c4O,Cc1ccc(cc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(cc3C)[N+]([O-])=O)c4O,"InChI=1/C25H20N4O4/c1-15-7-9-18(10-8-15)26-25(31)21-14-17-5-3-4-6-20(17)23(24(21)30)28-27-22-12-11-19(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31)",C25H20N4O4,,,,,,SGGRIOUAPXRXOF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.997,279-221-1,79665-33-1,"2-[[3,3'-dichloro-4'-[[4,5-dihydro-3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-4-yl]azo]-N-(2,4-dimethylphenyl)-3-oxobutyramide","2-[(3,3'-dichloro-4'-{[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-4-yl)diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide",Cc5ccc(NC(=O)C(N=Nc1ccc(cc1Cl)c4ccc(N=NC3C(\\C)=N/N(c2ccc(C)cc2)C3=O)c(Cl)c4)C(C)=O)c(C)c5,Cc5ccc(NC(=O)C(N=Nc1ccc(cc1Cl)c4ccc(N=NC3C(\C)=N/N(c2ccc(C)cc2)C3=O)c(Cl)c4)C(C)=O)c(C)c5,"InChI=1/C35H31Cl2N7O3/c1-19-6-11-26(12-7-19)44-35(47)32(22(4)43-44)41-39-30-14-9-24(17-27(30)36)25-10-15-31(28(37)18-25)40-42-33(23(5)45)34(46)38-29-13-8-20(2)16-21(29)3/h6-18,32-33H,1-5H3,(H,38,46)",C35H31Cl2N7O3,,,,,,QURJNFGMNWKKIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.637,281-025-6,83846-49-5,"3-chlorocyclopentane-1,2-dione","3-chlorocyclopentane-1,2-dione",ClC1CCC(=O)C1=O,ClC1CCC(=O)C1=O,"InChI=1/C5H5ClO2/c6-3-1-2-4(7)5(3)8/h3H,1-2H2",C5H5ClO2,,,,,,SNAOXHWORPTDTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.638,281-026-1,83846-50-8,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]glycine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}glycine - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)O.C3CCNCC3,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)O.C3CCNCC3,"InChI=1/C14H16N2O4S.C5H11N/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18;1-2-4-6-5-3-1/h3-8,15H,9H2,1-2H3,(H,17,18);6H,1-5H2",C14H16N2O4S.C5H11N,,,,,,JECQUSKZEKZZEX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.867,281-278-2,83898-66-2,"cis-8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-a-methyl-4-oxo-1,3,8-triazaspiro[4.5]decane-3-propiononitrile","4-[3-(2-cyanopropyl)-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]-1-(4-fluorophenyl)cyclohexanecarbonitrile",CC(CN1CN(c2ccc(F)cc2)C3(CCN(CC3)C4CCC(CC4)(C#N)c5ccc(F)cc5)C1=O)C#N,CC(CN1CN(c2ccc(F)cc2)C3(CCN(CC3)C4CCC(CC4)(C#N)c5ccc(F)cc5)C1=O)C#N,"InChI=1/C30H33F2N5O/c1-22(18-33)19-36-21-37(27-8-6-25(32)7-9-27)30(28(36)38)14-16-35(17-15-30)26-10-12-29(20-34,13-11-26)23-2-4-24(31)5-3-23/h2-9,22,26H,10-17,19,21H2,1H3",C30H33F2N5O,,,,,,BKAXWTHYFNJAHF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.768,278-968-0,78684-62-5,"(R)-1,2,3,4,10,14b-hexahydro-2-methyldibenzo[c,f]pyrazino[1,2-a]azepine monohydrochloride","2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine hydrochloride",Cl.CN1CCN2[C@@H](C1)c3ccccc3Cc4ccccc24,Cl.CN1CCN2[C@@H](C1)c3ccccc3Cc4ccccc24,"InChI=1/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H",C18H20N2.ClH,,,,,,YNPFMWCWRVTGKJ-FERBBOLQSA-N,,,,,,,,,,,
100.071.771,278-971-7,78697-24-2,(p-benzoylbenzyl)trimethylammonium bromide,"(4-benzoylphenyl)-N,N,N-trimethylmethanaminium bromide",[Br-].C[N+](C)(C)Cc1ccc(cc1)C(=O)c2ccccc2,[Br-].C[N+](C)(C)Cc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C17H20NO.BrH/c1-18(2,3)13-14-9-11-16(12-10-14)17(19)15-7-5-4-6-8-15;/h4-12H,13H2,1-3H3;1H/q+1;/p-1",C17H20NO.Br,,,,,,YUCAMIGWPNXBJP-UHFFFAOYSA-M,,,,,,,,,,,
100.071.779,278-980-6,78749-58-3,p-mercaptoanilinium chloride,4-sulfanylanilinium chloride,[Cl-].[NH3+]c1ccc(S)cc1,[Cl-].[NH3+]c1ccc(S)cc1,"InChI=1/C6H7NS.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H",C6H7NS.ClH,,,,,,QRVOMXNKYSBJSD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.786,278-987-4,78824-82-5,"Methyl (5Z,13E,15S)-11a,15-bis[[(tert-butyl)dimethylsilyl]oxy]-6,9a-epoxyprosta-5,13-dien-1-oate","methyl 11,15-bis{[tert-butyl(dimethyl)silyl]oxy}-6,9-epoxyprosta-5,13-dien-1-oate",CCCCC[C@H](O[Si](C)(C)C(C)(C)C)\\C=C\\[C@H]1[C@@H](C[C@@H]2O\\C(=C/CCCC(=O)OC)\\C[C@H]12)O[Si](C)(C)C(C)(C)C,CCCCC[C@H](O[Si](C)(C)C(C)(C)C)\C=C\[C@H]1[C@@H](C[C@@H]2O\C(=C/CCCC(=O)OC)\C[C@H]12)O[Si](C)(C)C(C)(C)C,"InChI=1/C33H62O5Si2/c1-13-14-15-18-25(37-39(9,10)32(2,3)4)21-22-27-28-23-26(19-16-17-20-31(34)35-8)36-29(28)24-30(27)38-40(11,12)33(5,6)7/h19,21-22,25,27-30H,13-18,20,23-24H2,1-12H3",C33H62O5Si2,,,,,,DWJGWVMGKGVGLF-WPDSVBPESA-N,,,,,,,,,,,
100.071.790,278-992-1,78834-75-0,Ethyl 7-chloro-2-oxoheptanoate,ethyl 7-chloro-2-oxoheptanoate,CCOC(=O)C(=O)CCCCCCl,CCOC(=O)C(=O)CCCCCCl,"InChI=1/C9H15ClO3/c1-2-13-9(12)8(11)6-4-3-5-7-10/h2-7H2,1H3",C9H15ClO3,,,,,,YJJLIIMRHGRCFM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.792,278-994-2,78841-03-9,"N,N'-hexane-1,6-diylbis-D-gluconamide","N,N'-hexane-1,6-diylbis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name)",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C18H36N2O12/c21-7-9(23)11(25)13(27)15(29)17(31)19-5-3-1-2-4-6-20-18(32)16(30)14(28)12(26)10(24)8-22/h9-16,21-30H,1-8H2,(H,19,31)(H,20,32)",C18H36N2O12,,,,,,LSKTUJWYWKWXJP-KJCFRMDSSA-N,,,,,,,,,,,
100.067.795,274-598-9,70419-10-2,"(S)-1,5-dimethylhexylamine",6-methylheptan-2-amine,CC(C)CCC[C@H](C)N,CC(C)CCC[C@H](C)N,"InChI=1/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3",C8H19N,,,,,,QNIVIMYXGGFTAK-QMMMGPOBSA-N,,,,,,,,,,,
100.067.799,274-602-9,70424-77-0,"Diethyl[2-[(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methoxy]ethyl]amine","N,N-diethyl-2-[(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methoxy]ethanamine",CCN(CC)CCOCC1C2C(CC=C1C)C2(C)C,CCN(CC)CCOCC1C2C(CC=C1C)C2(C)C,"InChI=1/C17H31NO/c1-6-18(7-2)10-11-19-12-14-13(3)8-9-15-16(14)17(15,4)5/h8,14-16H,6-7,9-12H2,1-5H3",C17H31NO,,,,,,PULVHGXFJNZOLV-UHFFFAOYSA-N,,,,,,,,,,,
100.067.800,274-603-4,70424-79-2,"Diethyl[2-[(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methoxy]ethyl]ammonium (Z)-2-butenedioate (1:1)",-,CC[NH+](CC)CCOCC1C2C(CC=C1C)C2(C)C.[O-]C(=O)\\C=C/C(=O)[O-],CC[NH+](CC)CCOCC1C2C(CC=C1C)C2(C)C.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C17H31NO.C4H4O4/c1-6-18(7-2)10-11-19-12-14-13(3)8-9-15-16(14)17(15,4)5;5-3(6)1-2-4(7)8/h8,14-16H,6-7,9-12H2,1-5H3;1-2H,(H,5,6)(H,7,8)/p-1",C17H31NO.C4H4O4,,,,,,CTJDTGZCMKOVPH-BTJKTKAUSA-M,,,,,,,,,,,
100.069.943,276-961-7,72894-07-6,(decyloxy)acetaldehyde,(decyloxy)acetaldehyde,CCCCCCCCCCOCC=O,CCCCCCCCCCOCC=O,"InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h10H,2-9,11-12H2,1H3",C12H24O2,,,,,,SWBGVIRRFYDZBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.944,276-962-2,72894-11-2,Buten-2-yl (3-methylbutoxy)acetate,1-methylenepropyl (3-methylbutoxy)acetate,CCC(=C)OC(=O)COCCC(C)C,CCC(=C)OC(=O)COCCC(C)C,"InChI=1/C11H20O3/c1-5-10(4)14-11(12)8-13-7-6-9(2)3/h9H,4-8H2,1-3H3",C11H20O3,,,,,,WUWSVFZAGYUXMC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.951,276-970-6,72894-21-4,"2-(benzyl)-6-ethoxy-7-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dione","2-benzyl-6-ethoxy-7-methoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",CCOc1ccc2C(=O)N(Cc3ccccc3)C(=O)c4ccc(OC)c1c24,CCOc1ccc2C(=O)N(Cc3ccccc3)C(=O)c4ccc(OC)c1c24,"InChI=1/C22H19NO4/c1-3-27-18-12-10-16-19-15(9-11-17(26-2)20(18)19)21(24)23(22(16)25)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3",C22H19NO4,,,,,,ZAGFAVZXMJYQOE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.953,276-972-7,72894-24-7,"2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-(2-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CCOc1ccc(cc1)N(C)c2ccc(\\C=C\\C3=[N+](C)c4ccccc4C3(C)C)cc2,[Cl-].CCOc1ccc(cc1)N(C)c2ccc(\C=C\C3=[N+](C)c4ccccc4C3(C)C)cc2,"InChI=1/C28H31N2O.ClH/c1-6-31-24-18-16-23(17-19-24)29(4)22-14-11-21(12-15-22)13-20-27-28(2,3)25-9-7-8-10-26(25)30(27)5;/h7-20H,6H2,1-5H3;1H/q+1;/p-1",C28H31N2O.Cl,,,,,,ZNUBXDOQFBZGSL-UHFFFAOYSA-M,,,,,,,,,,,
100.066.073,272-701-1,68909-32-0,"Propanenitrile, 3-[[3-(tridecyloxy)propyl]amino]-, branched",3-({3-[(9-ethylundecyl)oxy]propyl}amino)propanenitrile,CCC(CC)CCCCCCCCOCCCNCCC#N,CCC(CC)CCCCCCCCOCCCNCCC#N,"InChI=1/C19H38N2O/c1-3-19(4-2)13-9-7-5-6-8-10-17-22-18-12-16-21-15-11-14-20/h19,21H,3-13,15-18H2,1-2H3",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5688,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.073,IVQUSOHAUZAYDU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.805,274-609-7,70449-94-4,"10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine","5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene",CC12NC(Cc3ccccc13)c4ccccc24,CC12NC(Cc3ccccc13)c4ccccc24,"InChI=1/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3",C16H15N,,,,,,LBOJYSIDWZQNJS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.811,274-616-5,70466-83-0,"5-acetyl-3-[1-[(3-amino-4-hydroxyphenyl)amino]ethylidene]-4-hydroxy-2H-pyran-2,6(3H)-dione","5-acetyl-3-{1-[(3-amino-4-hydroxyphenyl)amino]ethylidene}-4-hydroxy-2H-pyran-2,6(3H)-dione",O=C(C)\\C1=C(/O)C(C(=O)OC1=O)=C(C)Nc2ccc(O)c(N)c2,O=C(C)\C1=C(/O)C(C(=O)OC1=O)=C(C)Nc2ccc(O)c(N)c2,"InChI=1/C15H14N2O6/c1-6(17-8-3-4-10(19)9(16)5-8)11-13(20)12(7(2)18)15(22)23-14(11)21/h3-5,17,19-20H,16H2,1-2H3",C15H14N2O6,,,,,,AMSURBYAJYQBRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.817,274-622-8,70495-27-1,"Bismuth, compound with silver (1:3)",-,[Ag].[Ag].[Ag].[Bi],[Ag].[Ag].[Ag].[Bi],InChI=1/3Ag.Bi/q3*+1;+3,Ag.Bi,,,,,,CYGLCGNJIVMJSO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.837,274-644-8,70521-71-0,N-(2-hydroxyethyl)-N-(2-hydroxytetradecyl)ß-alanine,N-(2-hydroxyethyl)-N-(2-hydroxytetradecyl)-beta-alanine,CCCCCCCCCCCCC(O)CN(CCO)CCC(=O)O,CCCCCCCCCCCCC(O)CN(CCO)CCC(=O)O,"InChI=1/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)17-20(15-16-21)14-13-19(23)24/h18,21-22H,2-17H2,1H3,(H,23,24)",C19H39NO4,,,,,,UNQIFGWGEAIJPF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.838,274-645-3,70521-72-1,N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)-ß-alanine,N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)-beta-alanine,CCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)O,CCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)O,"InChI=1/C21H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-22(17-18-23)16-15-21(25)26/h20,23-24H,2-19H2,1H3,(H,25,26)",C21H43NO4,,,,,,CGUAVSMYOABGKT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.842,274-650-0,70521-76-5,Sodium N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)-ß-alaninate,sodium 3-[(2-hydroxyethyl)(2-hydroxyhexadecyl)amino]propanoate,[Na+].CCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-],[Na+].CCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-],"InChI=1/C21H43NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-22(17-18-23)16-15-21(25)26;/h20,23-24H,2-19H2,1H3,(H,25,26);/q;+1/p-1",C21H43NO4.Na,,,,,,KLBCTWHWQVIJHQ-UHFFFAOYSA-M,,,,,,,,,,,
100.073.762,281-163-7,83877-93-4,Titanium(4+) decan-1-olate,titanium(4+) tetradecan-1-olate,[Ti+4].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],[Ti+4].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-],"InChI=1/4C10H21O.Ti/c4*1-2-3-4-5-6-7-8-9-10-11;/h4*2-10H2,1H3;/q4*-1;+4",C10H22O.1/4Ti,,,,,,XQNMNCVLVNBXKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.771,281-173-1,83878-06-2,7-(4-methyl-3-cyclohexen-1-yl)oct-4-enal,7-(4-methylcyclohex-3-en-1-yl)oct-4-enal,CC(CC=CCCC=O)C1C\\C=C(\\C)CC1,CC(CC=CCCC=O)C1C\C=C(\C)CC1,"InChI=1/C15H24O/c1-13-8-10-15(11-9-13)14(2)7-5-3-4-6-12-16/h3,5,8,12,14-15H,4,6-7,9-11H2,1-2H3",C15H24O,,,,,,YKNGWDQGRDGMSS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.775,281-177-3,83890-46-4,4-(diethylamino)benzaldehyde 2-naphthylphenylhydrazone,"N,N-diethyl-4-[2-naphthyl(phenyl)carbonohydrazonoyl]aniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3ccc4ccccc4c3)cc1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3ccc4ccccc4c3)cc1,"InChI=1/C27H27N3/c1-3-29(4-2)25-17-14-22(15-18-25)21-28-30(26-12-6-5-7-13-26)27-19-16-23-10-8-9-11-24(23)20-27/h5-21H,3-4H2,1-2H3",C27H27N3,,,,,,JJUXMGAQONVUIV-SGWCAAJKSA-N,,,,,,,,,,,
100.076.430,284-103-8,84782-02-5,Bis(2-hydroxyethyl)ammonium butyl sulphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium butyl sulfate,CCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,CCCCOS(=O)(=O)[O-].OCC[NH2+]CCO,"InChI=1/C4H11NO2.C4H10O4S/c6-3-1-5-2-4-7;1-2-3-4-8-9(5,6)7/h5-7H,1-4H2;2-4H2,1H3,(H,5,6,7)",C4H11NO2.C4H10O4S,,,,,,PXBHPPQVJQTISG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.710,283-309-5,84604-30-8,2-(furfurylthio)ethylammonium sulphate (2:1),bis{2-[(2-furylmethyl)sulfanyl]ethanaminium} sulfate,[NH3+]CCSCc1occc1.[NH3+]CCSCc2occc2.[O-]S(=O)(=O)[O-],[NH3+]CCSCc1occc1.[NH3+]CCSCc2occc2.[O-]S(=O)(=O)[O-],"InChI=1/2C7H11NOS.H2O4S/c2*8-3-5-10-6-7-2-1-4-9-7;1-5(2,3)4/h2*1-2,4H,3,5-6,8H2;(H2,1,2,3,4)",C7H11NOS.1/2H2O4S,,,,,,AUZKHOOUCYQGNL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.713,283-312-1,84604-33-1,2-[[4-(morpholino)phenyl]azo]acetoacetanilide,2-[(4-morpholin-4-ylphenyl)diazenyl]-3-oxo-N-phenylbutanamide,CC(=O)C(N=Nc1ccc(cc1)N2CCOCC2)C(=O)Nc3ccccc3,CC(=O)C(N=Nc1ccc(cc1)N2CCOCC2)C(=O)Nc3ccccc3,"InChI=1/C20H22N4O3/c1-15(25)19(20(26)21-16-5-3-2-4-6-16)23-22-17-7-9-18(10-8-17)24-11-13-27-14-12-24/h2-10,19H,11-14H2,1H3,(H,21,26)",C20H22N4O3,,,,,,CPMFUSJRVHGYCR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.717,283-316-3,84604-37-5,4-[[(7-hydroxy-1-naphthyl)amino]acetyl]morpholine,8-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-naphthol,Oc1ccc2cccc(NCC(=O)N3CCOCC3)c2c1,Oc1ccc2cccc(NCC(=O)N3CCOCC3)c2c1,"InChI=1/C16H18N2O3/c19-13-5-4-12-2-1-3-15(14(12)10-13)17-11-16(20)18-6-8-21-9-7-18/h1-5,10,17,19H,6-9,11H2",C16H18N2O3,,,,,,SALMMXBIIDVDTN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.719,283-318-4,84604-39-7,"1,3-benzodioxol-5-ylmethyl 2-methylcrotonate","1,3-benzodioxol-5-ylmethyl 2-methylbut-2-enoate",C\\C=C(/C)\\C(=O)OCc1ccc2OCOc2c1,C\C=C(/C)\C(=O)OCc1ccc2OCOc2c1,"InChI=1/C13H14O4/c1-3-9(2)13(14)15-7-10-4-5-11-12(6-10)17-8-16-11/h3-6H,7-8H2,1-2H3",C13H14O4,,,,,,RZTAHPNFDCBEER-YCRREMRBSA-N,,,,,,,,,,,
100.075.721,283-321-0,84604-41-1,4-(3-oxobutyl)phenyl propionate,4-(3-oxobutyl)phenyl propionate,CCC(=O)Oc1ccc(CCC(=O)C)cc1,CCC(=O)Oc1ccc(CCC(=O)C)cc1,"InChI=1/C13H16O3/c1-3-13(15)16-12-8-6-11(7-9-12)5-4-10(2)14/h6-9H,3-5H2,1-2H3",C13H16O3,,,,,,NBNZUDHERZHGTE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.902,279-117-6,79234-36-9,"Disodium 5-(benzoylamino)-3-[[2-(4-cyclohexylphenoxy)phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 5-(benzoylamino)-3-{[2-(4-cyclohexylphenoxy)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c6cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c6N=Nc5ccccc5Oc3ccc(cc3)C4CCCCC4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c6cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c6N=Nc5ccccc5Oc3ccc(cc3)C4CCCCC4)S([O-])(=O)=O,"InChI=1/C35H31N3O9S2.2Na/c39-34-32-25(19-27(48(41,42)43)21-29(32)36-35(40)24-11-5-2-6-12-24)20-31(49(44,45)46)33(34)38-37-28-13-7-8-14-30(28)47-26-17-15-23(16-18-26)22-9-3-1-4-10-22;;/h2,5-8,11-22,39H,1,3-4,9-10H2,(H,36,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C35H31N3O9S2.2Na,,,,,,CZQNYFSFABWDRS-UHFFFAOYSA-L,,,,,,,,,,,
100.071.905,279-120-2,79245-95-7,"1-Tetradecanol, phosphate, compd. with 2,2',2''-nitrilotris[ethanol]",-,CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCN(CCO)CCO,CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCN(CCO)CCO,"InChI=1/C14H31O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;8-4-1-7(2-5-9)3-6-10/h2-14H2,1H3,(H2,15,16,17);8-10H,1-6H2/p-2",-,,,,,,XWRHPASZKGOYHI-UHFFFAOYSA-L,,,,,,,,,,,
100.071.907,279-122-3,79261-49-7,Potassium 2-(4-isobutylphenyl)propionate,potassium 2-(4-isobutylphenyl)propanoate,[K+].CC(C)Cc1ccc(cc1)C(C)C(=O)[O-],[K+].CC(C)Cc1ccc(cc1)C(C)C(=O)[O-],"InChI=1/C13H18O2.K/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1",C13H18O2.K,,,,,,XJELUCTZEAQYGF-UHFFFAOYSA-M,,,,,,,,,,,
100.071.908,279-123-9,79270-78-3,"2-ethylhexyl 2-(2,4-dichlorophenoxy)propionate","2-ethylhexyl 2-(2,4-dichlorophenoxy)propanoate",CCCCC(CC)COC(=O)C(C)Oc1ccc(Cl)cc1Cl,CCCCC(CC)COC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C17H24Cl2O3/c1-4-6-7-13(5-2)11-21-17(20)12(3)22-16-9-8-14(18)10-15(16)19/h8-10,12-13H,4-7,11H2,1-3H3",C17H24Cl2O3,,,,,,CEEDFYRUPAWDOU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.083,269-412-8,68238-92-6,"Tetrasodium 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 2-{[8-({3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl}amino)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc6c(Nc1cc(ccc1)C(=O)Nc5cc(cc4cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)nc(F)nc6F,[Na+].[Na+].[Na+].[Na+].Clc6c(Nc1cc(ccc1)C(=O)Nc5cc(cc4cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)nc(F)nc6F,"InChI=1/C31H19ClF2N6O14S4.4Na/c32-24-28(33)37-31(34)38-29(24)35-15-4-1-3-13(9-15)30(42)36-20-12-16(55(43,44)45)10-14-11-22(57(49,50)51)25(26(41)23(14)20)40-39-19-8-7-17-18(27(19)58(52,53)54)5-2-6-21(17)56(46,47)48;;;;/h1-12,41H,(H,36,42)(H,35,37,38)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C31H19ClF2N6O14S4.4Na,,,,,,KFZGCQOLFVUWBZ-UHFFFAOYSA-J,,,,,,,,,,,
100.063.084,269-413-3,68238-93-7,Dichloro(dichloromethyl)benzene,"1,2-dichloro-3-(dichloromethyl)benzene",ClC(Cl)c1cccc(Cl)c1Cl,ClC(Cl)c1cccc(Cl)c1Cl,"InChI=1/C7H4Cl4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H",C7H4Cl4,,,,,,DGILBEZUEYPVNX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.091,269-421-7,68239-08-7,"5,6-dinitrospiro[1,3-benzodioxole-2,1'-cyclohexane]","5,6-dinitrospiro[1,3-benzodioxole-2,1'-cyclohexane]",[O-][N+](=O)c1cc2OC3(CCCCC3)Oc2cc1[N+](=O)[O-],[O-][N+](=O)c1cc2OC3(CCCCC3)Oc2cc1[N+](=O)[O-],"InChI=1/C12H12N2O6/c15-13(16)8-6-10-11(7-9(8)14(17)18)20-12(19-10)4-2-1-3-5-12/h6-7H,1-5H2",C12H12N2O6,,,,,,FTOUDLLHVRZGEH-UHFFFAOYSA-N,,,,,,,,,,,
100.063.094,269-424-3,68239-11-2,"6'-methyl-7'-(3-sulphonatopropyl)spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium]","3-(6'-methylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzothiazol[7]ium]-7'-yl)propane-1-sulfonate",Cc1sc2cc3OC4(CCCCC4)Oc3cc2[n+]1CCCS(=O)(=O)[O-],Cc1sc2cc3OC4(CCCCC4)Oc3cc2[n+]1CCCS(=O)(=O)[O-],"InChI=1/C17H21NO5S2/c1-12-18(8-5-9-25(19,20)21)13-10-14-15(11-16(13)24-12)23-17(22-14)6-3-2-4-7-17/h10-11H,2-9H2,1H3",C17H21NO5S2,,,,,,LNTHAPOUCNPOLE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.096,269-426-4,68239-13-4,Cyclohexyldiethylammonium hydrogen glutarate,"N,N-diethylcyclohexanaminium hydrogen glutarate",CC[NH+](CC)C1CCCCC1.[O-]C(=O)CCCC(=O)[O-],CC[NH+](CC)C1CCCCC1.[O-]C(=O)CCCC(=O)[O-],"InChI=1/C10H21N.C5H8O4/c1-3-11(4-2)10-8-6-5-7-9-10;6-4(7)2-1-3-5(8)9/h10H,3-9H2,1-2H3;1-3H2,(H,6,7)(H,8,9)/p-1",C10H21N.C5H8O4,,,,,,AWAPGSREZKXRMK-UHFFFAOYSA-M,,,,,,,,,,,
100.063.100,269-431-1,68239-19-0,3-(tridecyloxy)propiononitrile,3-(tridecyloxy)propanenitrile,CCCCCCCCCCCCCOCCC#N,CCCCCCCCCCCCCOCCC#N,"InChI=1/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-13,15-16H2,1H3",C16H31NO,,,,,,QNXKSVYXNGTPLX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.049,281-480-0,83950-28-1,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium acetate,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenzo[cd]indolium acetate,CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.CC(=O)[O-],CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.CC(=O)[O-],"InChI=1/C23H24BrN2.C2H4O2/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-2(3)4/h7-15H,4-6H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C23H24BrN2.C2H3O2,,,,,,CTIBPKYLWXPIQP-UHFFFAOYSA-M,,,,,,,,,,,
100.074.050,281-481-6,83950-29-2,"[4-[[4-(diethylamino)phenyl][4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]ethyl(2-hydroxyethyl)ammonium chloride","N-[4-([4-(diethylamino)phenyl]{4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl}methylene)-3-methylcyclohexa-2,5-dien-1-ylidene]-N-ethyl-2-hydroxyethanaminium chloride",[Cl-].C\\C3=C\\C(\\C=C/C3=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(CC)CCO)=[N+](CCO)CC,[Cl-].C\C3=C\C(\C=C/C3=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(CC)CCO)=[N+](CCO)CC,"InChI=1/C33H46N3O2.ClH/c1-7-34(8-2)28-13-11-27(12-14-28)33(31-17-15-29(23-25(31)5)35(9-3)19-21-37)32-18-16-30(24-26(32)6)36(10-4)20-22-38;/h11-18,23-24,37-38H,7-10,19-22H2,1-6H3;1H/q+1;/p-1",C33H46N3O2.Cl,,,,,,BTVYTGOZAQHOJE-UHFFFAOYSA-M,,,,,,,,,,,
100.074.058,281-490-5,83966-24-9,2-isopropyl dihydrogen citrate,3-hydroxy-3-(isopropoxycarbonyl)pentanedioic acid,CC(C)OC(=O)C(O)(CC(=O)O)CC(=O)O,CC(C)OC(=O)C(O)(CC(=O)O)CC(=O)O,"InChI=1/C9H14O7/c1-5(2)16-8(14)9(15,3-6(10)11)4-7(12)13/h5,15H,3-4H2,1-2H3,(H,10,11)(H,12,13)",C9H14O7,,,,,,VRBUFFFVTDWWMY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.958,283-584-1,84682-22-4,2-pyridin-2-ylthiazolidine-4-carboxylic acid,"2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid",OC(=O)C1CSC(N1)c2ccccn2,OC(=O)C1CSC(N1)c2ccccn2,"InChI=1/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7-8,11H,5H2,(H,12,13)",C9H10N2O2S,,,,,,FRABGDHEKOTVGC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.972,283-599-3,84682-36-0,2-[3-(trihydroxysilyl)propyl]isothiouronium chloride,amino{[3-(trihydroxysilyl)propyl]sulfanyl}methaniminium chloride,[Cl-].NC(=[NH2+])SCCC[Si](O)(O)O,[Cl-].NC(=[NH2+])SCCC[Si](O)(O)O,"InChI=1/C4H12N2O3SSi.ClH/c5-4(6)10-2-1-3-11(7,8)9;/h7-9H,1-3H2,(H3,5,6);1H",C4H12N2O3SSi.ClH,,,,,,FTNKPHKEFVDVNN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.974,283-601-2,84682-38-2,Methoxymethylbis(2-phenylethoxy)silane,(methoxymethyl)[bis(2-phenylethoxy)]silane,COC[SiH](OCCc1ccccc1)OCCc2ccccc2,COC[SiH](OCCc1ccccc1)OCCc2ccccc2,"InChI=1/C18H24O3Si/c1-19-16-22(20-14-12-17-8-4-2-5-9-17)21-15-13-18-10-6-3-7-11-18/h2-11,22H,12-16H2,1H3",C18H24O3Si,,,,,,RYDYRQCFQOBUTC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.796,278-998-4,78880-65-6,"10,11-dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carbonitrile","10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carbonitrile",O=C1Cc2ccccc2N(C#N)c3ccccc13,O=C1Cc2ccccc2N(C#N)c3ccccc13,"InChI=1/C15H10N2O/c16-10-17-13-7-3-1-5-11(13)9-15(18)12-6-2-4-8-14(12)17/h1-8H,9H2",C15H10N2O,,,,,,JUGKQCJQHACNBE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.798,279-002-0,78902-43-9,"5-[5-(hexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)penta-2,4-dienylidene]-1,3-dimethylbarbituric acid, compound with triethylamine (1:1)","5,5'-penta-1,3-dien-1-yl-5-ylidenebis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) - N,N-diethylethanamine (1:1)",CN2C(=O)C(C=CC=C\\C=C1\\C(=O)N(C)C(=O)N(C)C1=O)C(=O)N(C)C2=O.CCN(CC)CC,CN2C(=O)C(C=CC=C\C=C1\C(=O)N(C)C(=O)N(C)C1=O)C(=O)N(C)C2=O.CCN(CC)CC,"InChI=1/C17H18N4O6.C6H15N/c1-18-12(22)10(13(23)19(2)16(18)26)8-6-5-7-9-11-14(24)20(3)17(27)21(4)15(11)25;1-4-7(5-2)6-3/h5-10H,1-4H3;4-6H2,1-3H3",C17H18N4O6.C6H15N,,,,,,XHMHEMXQRCBPMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.802,279-006-2,78904-55-9,"Ethyl a-cyano-2,2,3-trimethylcyclopent-3-enebutyrate","ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butanoate",CCOC(=O)C(CCC1CC=C(C)C1(C)C)C#N,CCOC(=O)C(CCC1CC=C(C)C1(C)C)C#N,"InChI=1/C15H23NO2/c1-5-18-14(17)12(10-16)7-9-13-8-6-11(2)15(13,3)4/h6,12-13H,5,7-9H2,1-4H3",C15H23NO2,,,,,,SYMWOPNVYXFROF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.803,279-007-8,78923-50-9,"6'-(diethylamino)-2'-[methyl[3-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-2'-{methyl[3-(trifluoromethyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(C)c6cccc(c6)C(F)(F)F)c1,CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(C)c6cccc(c6)C(F)(F)F)c1,"InChI=1/C32H27F3N2O3/c1-4-37(5-2)23-13-15-26-29(19-23)39-28-16-14-22(36(3)21-10-8-9-20(17-21)32(33,34)35)18-27(28)31(26)25-12-7-6-11-24(25)30(38)40-31/h6-19H,4-5H2,1-3H3",C32H27F3N2O3,,,,,,JKNAFELHVSCDBO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.063,284-800-7,84962-99-2,"N,N'-bis[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]ethylenediamine dihydrochloride","N-(10,10-dimethoxy-11-oxa-3,6-diaza-10-siladodec-1-yl)-N'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine dihydrochloride (non-preferred name)",Cl.Cl.CO[Si](CCCNCCNCCNCCNCCC[Si](OC)(OC)OC)(OC)OC,Cl.Cl.CO[Si](CCCNCCNCCNCCNCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C18H46N4O6Si2.2ClH/c1-23-29(24-2,25-3)17-7-9-19-11-13-21-15-16-22-14-12-20-10-8-18-30(26-4,27-5)28-6;;/h19-22H,7-18H2,1-6H3;2*1H",C18H46N4O6Si2.2ClH,,,,,,OUKSOODINPMJOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.066,284-803-3,84963-02-0,Zinc methylsilanetriolate(2:1),-,[Zn].[Zn].C[Si]([O-])([O-])[O-],[Zn].[Zn].C[Si]([O-])([O-])[O-],"InChI=1/CH3O3Si.2Zn/c1-5(2,3)4;;/h1H3;;/q-3;2*+2",CH6O3Si.1/2Zn,,,,,,CKNUUBTZMFBHJF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.077,284-815-9,84963-15-5,"2-[[2-amino-6-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]-7-sulpho-1-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulpho-1-naphthyl]azo]-5-nitrobenzoic acid","2-[(2-amino-6-{[4-({4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-7-sulfo-1-naphthyl}diazenyl)-2,5-dimethoxyphenyl]diazenyl}-5-hydroxy-7-sulfo-1-naphthyl)diazenyl]-5-nitrobenzoic acid",COc7cc(N=Nc3ccc(N=Nc1cc(C(O)=O)c(O)cc1)c2ccc(cc23)S(O)(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4ccc(cc4C(O)=O)[N+]([O-])=O)c(N)ccc5c6O)S(O)(=O)=O)OC,COc7cc(N=Nc3ccc(N=Nc1cc(C(O)=O)c(O)cc1)c2ccc(cc23)S(O)(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4ccc(cc4C(O)=O)[N+]([O-])=O)c(N)ccc5c6O)S(O)(=O)=O)OC,"InChI=1/C42H30N10O16S2/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66)",C42H30N10O16S2,,,,,,OZZMOSWNWQDAOA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.081,284-820-6,84963-19-9,"2,6,10,10-tetramethylbicyclo[7.2.0]undec-5-en-3-one","2,6,10,10-tetramethylbicyclo[7.2.0]undec-5-en-3-one",CC1C2CC(C)(C)C2CC\\C(=C/CC1=O)\\C,CC1C2CC(C)(C)C2CC\C(=C/CC1=O)\C,"InChI=1/C15H24O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h6,11-13H,5,7-9H2,1-4H3",C15H24O,,,,,,AXYIDWDOHUKDOI-POHAHGRESA-N,,,,,,,,,,,
100.077.090,284-830-0,84963-28-0,7-isopropyl-5-methyl-a-vinylbicyclo[2.2.2]oct-5-ene-2-methanol,1-(7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl)prop-2-en-1-ol,CC(C)C1CC2CC(C(O)C=C)C1C=C2C,CC(C)C1CC2CC(C(O)C=C)C1C=C2C,"InChI=1/C15H24O/c1-5-15(16)14-8-11-7-12(9(2)3)13(14)6-10(11)4/h5-6,9,11-16H,1,7-8H2,2-4H3",C15H24O,,,,,,MZJUQBVUARQFQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.094,284-834-2,84963-32-6,7-isopropyl-5-methylbicyclo[2.2.2]octane-2-carbonitrile,7-isopropyl-5-methylbicyclo[2.2.2]octane-2-carbonitrile,CC(C)C1CC2CC(C#N)C1CC2C,CC(C)C1CC2CC(C#N)C1CC2C,"InChI=1/C13H21N/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h8-13H,4-6H2,1-3H3",C13H21N,,,,,,MINUNWAHCZXVOB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.654,281-043-4,83846-66-6,1-(p-tolyl)cyclopropanecarboxylic acid,1-(4-methylphenyl)cyclopropanecarboxylic acid,Cc1ccc(cc1)C2(CC2)C(=O)O,Cc1ccc(cc1)C2(CC2)C(=O)O,"InChI=1/C11H12O2/c1-8-2-4-9(5-3-8)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)",C11H12O2,,,,,,AYUGAOYMYXSOKU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.655,281-045-5,83846-67-7,Methyl 2-[(ethoxycarbonyl)amino]benzoate,methyl 2-[(ethoxycarbonyl)amino]benzoate,CCOC(=O)Nc1ccccc1C(=O)OC,CCOC(=O)Nc1ccccc1C(=O)OC,"InChI=1/C11H13NO4/c1-3-16-11(14)12-9-7-5-4-6-8(9)10(13)15-2/h4-7H,3H2,1-2H3,(H,12,14)",C11H13NO4,,,,,,XSEONJBZTZZGCV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.965,276-985-8,72906-05-9,"Glycine, N-(C12-22-alkylsulfonyl) derivs., compds. with triethanolamine (1:1)","N-(16-sulfohexadecyl)glycine - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)CNCCCCCCCCCCCCCCCCS(=O)(=O)O,OCCN(CCO)CCO.OC(=O)CNCCCCCCCCCCCCCCCCS(=O)(=O)O,"InChI=1/C18H37NO5S.C6H15NO3/c20-18(21)17-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-25(22,23)24;8-4-1-7(2-5-9)3-6-10/h19H,1-17H2,(H,20,21)(H,22,23,24);8-10H,1-6H2",-,,,,,,HZQYVCRUUJZQIR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.970,276-991-0,72906-16-2,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]benzamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl}benzamide",Clc3cc(cc(c3N=Nc2ccc(cc2NC(=O)c1ccccc1)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,Clc3cc(cc(c3N=Nc2ccc(cc2NC(=O)c1ccccc1)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C23H21ClN6O5/c1-3-28(4-2)16-10-11-19(20(13-16)25-23(31)15-8-6-5-7-9-15)26-27-22-18(24)12-17(29(32)33)14-21(22)30(34)35/h5-14H,3-4H2,1-2H3,(H,25,31)",C23H21ClN6O5,,,,,,XLQOBJJPASQKHH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.978,276-999-4,72906-37-7,"2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-9H-naphth[3,2,1-kl]acridinium methyl sulphate","2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-9H-naphtho[3,2,1-kl]acridinium methyl sulfate",COS(=O)(=O)[O-].Cc1ccc(Nc2ccc3c4c2C(=O)c5ccccc5c4c6cc(C)ccc6[n+]3C)cc1,COS(=O)(=O)[O-].Cc1ccc(Nc2ccc3c4c2C(=O)c5ccccc5c4c6cc(C)ccc6[n+]3C)cc1,"InChI=1/C29H22N2O.CH4O4S/c1-17-8-11-19(12-9-17)30-23-13-15-25-28-26(22-16-18(2)10-14-24(22)31(25)3)20-6-4-5-7-21(20)29(32)27(23)28;1-5-6(2,3)4/h4-16H,1-3H3;1H3,(H,2,3,4)",C29H23N2O.CH3O4S,,,,,,WNIMWYLNYNFEFO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.980,277-002-5,72906-39-9,"[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium dihydrogen phosphate","2-(ethyl{4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium dihydrogen phosphate",[H+].[H+].[O-]P([O-])([O-])=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,[H+].[H+].[O-]P([O-])([O-])=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,"InChI=1/C21H27N6S.H3O4P.2H2/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-5(2,3)4;;/h6-14H,5,15-16H2,1-4H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3",C21H27N6S.H2O4P,,,,,,SUGVLKGADNYBOA-UHFFFAOYSA-M,,,,,,,,,,,
100.069.982,277-004-6,72906-46-8,"Disodium 4-amino-3,6-bis[(4-aminophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-amino-3,6-bis[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(N)cc3)c4O)S([O-])(=O)=O,[Na+].[Na+].Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(N)cc3)c4O)S([O-])(=O)=O,"InChI=1/C22H19N7O7S2.2Na/c23-12-1-5-14(6-2-12)26-28-20-16(37(31,32)33)9-11-10-17(38(34,35)36)21(22(30)18(11)19(20)25)29-27-15-7-3-13(24)4-8-15;;/h1-10,30H,23-25H2,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C22H19N7O7S2.2Na,,,,,,ZERTYDSDDBKLLT-UHFFFAOYSA-L,,,,,,,,,,,
100.065.893,272-504-0,68856-21-3,"Octahydro-3,5,5,8,8-pentamethylnaphthalene-2(1H)-one","3,5,5,8,8-pentamethyloctahydronaphthalen-2(1H)-one",CC1CC2C(CC1=O)C(C)(C)CCC2(C)C,CC1CC2C(CC1=O)C(C)(C)CCC2(C)C,"InChI=1/C15H26O/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h10-12H,6-9H2,1-5H3",C15H26O,,,,,,HAPDRSVNEVCRKW-UHFFFAOYSA-N,,,,,,,,,,,
100.065.901,272-512-4,68857-83-0,4-(1-chloro-2-methylpropyl)toluene,1-(1-chloro-2-methylpropyl)-4-methylbenzene,CC(C)C(Cl)c1ccc(C)cc1,CC(C)C(Cl)c1ccc(C)cc1,"InChI=1/C11H15Cl/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3",C11H15Cl,,,,,,AAGFTZAYXBVFGB-UHFFFAOYSA-N,,,,,,,,,,,
100.065.909,272-521-3,68867-63-0,"Tetrasodium 6,13-dichloro-3,10-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulphonatophenyl]amino]triphenodioxazinedisulphonate","tetrasodium 6,13-dichloro-3,10-bis({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}amino)[1,4]benzoxazino[2,3-b]phenoxazine-1,2-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Nc3ccc4N=C5C(=C6Oc7cc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)cc8S(=O)(=O)[O-])c(c(c7N=C6C(=C5Oc4c3)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Nc3ccc4N=C5C(=C6Oc7cc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)cc8S(=O)(=O)[O-])c(c(c7N=C6C(=C5Oc4c3)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl,"InChI=1/C36H18Cl6N12O14S4.4Na/c37-22-25-27(67-18-7-11(1-4-14(18)47-25)43-15-5-2-12(8-20(15)69(55,56)57)44-35-51-31(39)49-32(40)52-35)23(38)26-28(22)68-19-10-17(29(71(61,62)63)30(24(19)48-26)72(64,65)66)46-16-6-3-13(9-21(16)70(58,59)60)45-36-53-33(41)50-34(42)54-36;;;;/h1-10,43,46H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,44,49,51,52)(H,45,50,53,54);;;;/q;4*+1/p-4",C36H18Cl6N12O14S4.4Na,,,,,,PBHDZJKUIUNLHC-UHFFFAOYSA-J,,,,,,,,,,,
100.067.625,274-411-0,70210-14-9,Sodium 6-amino-5-[[4-chloro-2-(2-chlorophenoxy)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-{[4-chloro-2-(2-chlorophenoxy)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate,[Na+].Clc4ccccc4Oc3cc(Cl)ccc3N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O,[Na+].Clc4ccccc4Oc3cc(Cl)ccc3N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O,"InChI=1/C22H15Cl2N3O5S.Na/c23-13-6-8-17(20(10-13)32-19-4-2-1-3-15(19)24)26-27-22-16(25)7-5-12-9-14(33(29,30)31)11-18(28)21(12)22;/h1-11,28H,25H2,(H,29,30,31);/q;+1/p-1",C22H15Cl2N3O5S.Na,,,,,,ILTQZECADBXZIL-UHFFFAOYSA-M,,,,,,,,,,,
100.071.914,279-130-7,79295-96-8,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(ethyl)amino]-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC#N)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC#N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H20ClN7O6/c1-4-26(7-5-6-22)17-10-15(23-12(2)29)16(11-19(17)34-3)24-25-20-14(21)8-13(27(30)31)9-18(20)28(32)33/h8-11H,4-5,7H2,1-3H3,(H,23,29)",C20H20ClN7O6,,,,,,VCWDVYKMAHOLBR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.916,279-132-8,79317-10-5,"Bis(2,2,6,6-tetramethyl-4-piperidyl) 1,6-hexanediylbis[(2,2,6,6-tetramethyl-4-piperidyl)carbamate]","bis(2,2,6,6-tetramethylpiperidin-4-yl) hexane-1,6-diylbis[(2,2,6,6-tetramethylpiperidin-4-yl)carbamate]",CC1(C)CC(CC(C)(C)N1)OC(=O)N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)C(=O)OC3CC(C)(C)NC(C)(C)C3)C4CC(C)(C)NC(C)(C)C4,CC1(C)CC(CC(C)(C)N1)OC(=O)N(CCCCCCN(C2CC(C)(C)NC(C)(C)C2)C(=O)OC3CC(C)(C)NC(C)(C)C3)C4CC(C)(C)NC(C)(C)C4,"InChI=1/C44H84N6O4/c1-37(2)23-31(24-38(3,4)45-37)49(35(51)53-33-27-41(9,10)47-42(11,12)28-33)21-19-17-18-20-22-50(32-25-39(5,6)46-40(7,8)26-32)36(52)54-34-29-43(13,14)48-44(15,16)30-34/h31-34,45-48H,17-30H2,1-16H3",C44H84N6O4,,,,,,IJFYOMHOWJYPMO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.932,279-150-6,79410-64-3,Sodium 4-hydroxy-6-[(1-oxoallyl)amino]naphthalene-2-sulphonate,sodium 6-(acryloylamino)-4-hydroxynaphthalene-2-sulfonate,[Na+].Oc1cc(cc2ccc(NC(=O)C=C)cc12)S(=O)(=O)[O-],[Na+].Oc1cc(cc2ccc(NC(=O)C=C)cc12)S(=O)(=O)[O-],"InChI=1/C13H11NO5S.Na/c1-2-13(16)14-9-4-3-8-5-10(20(17,18)19)7-12(15)11(8)6-9;/h2-7,15H,1H2,(H,14,16)(H,17,18,19);/q;+1/p-1",C13H11NO5S.Na,,,,,,SLNBXXGUWGADSV-UHFFFAOYSA-M,,,,,,,,,,,
100.071.933,279-151-1,79416-27-6,Methyl 5-amino-4-oxovalerate hydrochloride,methyl 5-amino-4-oxopentanoate hydrochloride,Cl.COC(=O)CCC(=O)CN,Cl.COC(=O)CCC(=O)CN,"InChI=1/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H",C6H11NO3.ClH,,,,,,UJYSYPVQHFNBML-UHFFFAOYSA-N,,,,,,,,,,,
100.071.935,279-153-2,79416-55-0,Ethylene didocosanoate,"ethane-1,2-diyl didocosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C46H90O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45(47)49-43-44-50-46(48)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3",C46H90O4,,,,,,ZAXRTBFZGJJUGM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.814,281-220-6,83898-12-8,Methyl N-formyl-3-oxo-N-(1-phenylethyl)-alaninate,methyl N-formyl-3-oxo-N-(1-phenylethyl)alaninate,COC(=O)C(C=O)N(C=O)C(C)c1ccccc1,COC(=O)C(C=O)N(C=O)C(C)c1ccccc1,"InChI=1/C13H15NO4/c1-10(11-6-4-3-5-7-11)14(9-16)12(8-15)13(17)18-2/h3-10,12H,1-2H3",C13H15NO4,,,,,,YXILPKRGFXXFBH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.817,281-223-2,83898-15-1,Methyl 4-phenylpiperidine-4-carboxylate hydrochloride,methyl 4-phenylpiperidine-4-carboxylate hydrochloride,Cl.COC(=O)C1(CCNCC1)c2ccccc2,Cl.COC(=O)C1(CCNCC1)c2ccccc2,"InChI=1/C13H17NO2.ClH/c1-16-12(15)13(7-9-14-10-8-13)11-5-3-2-4-6-11;/h2-6,14H,7-10H2,1H3;1H",C13H17NO2.ClH,,,,,,VSNWCTNBFRAGLG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.819,281-225-3,83898-17-3,"3-(2-hydroxyphenyl)-1,1-dimethylurea","3-(2-hydroxyphenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1ccccc1O,CN(C)C(=O)Nc1ccccc1O,"InChI=1/C9H12N2O2/c1-11(2)9(13)10-7-5-3-4-6-8(7)12/h3-6,12H,1-2H3,(H,10,13)",C9H12N2O2,,,,,,VYKYSTWKUAETPR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.821,281-227-4,83898-19-5,"3-(3-chloro-2-hydroxyphenyl)-1,1-dimethylurea","3-(3-chloro-2-hydroxyphenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1cccc(Cl)c1O,CN(C)C(=O)Nc1cccc(Cl)c1O,"InChI=1/C9H11ClN2O2/c1-12(2)9(14)11-7-5-3-4-6(10)8(7)13/h3-5,13H,1-2H3,(H,11,14)",C9H11ClN2O2,,,,,,IFFCYOSBJAYENL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.825,281-232-1,83898-24-2,"4,5-dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium toluene-p-sulphonate","3-methyl-2-[3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-thiazol-3-ium 4-methylbenzenesulfonate",CN2CCSC2=CC=CC=1SCC[N+]=1C.[O-]S(=O)(=O)c1ccc(C)cc1,CN2CCSC2=CC=CC=1SCC[N+]=1C.[O-]S(=O)(=O)c1ccc(C)cc1,"InChI=1/C11H17N2S2.C7H8O3S/c1-12-6-8-14-10(12)4-3-5-11-13(2)7-9-15-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,6-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C11H17N2S2.C7H7O3S,,,,,,RHTMODJHKCKOBO-UHFFFAOYSA-M,,,,,,,,,,,
100.073.826,281-233-7,83898-25-3,Benzyl 3-methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylate,benzyl 3-methyl-1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidine-4-carboxylate,CC1CN(CCC1(C(=O)OCc2ccccc2)c3ccccc3)S(=O)(=O)c4ccc(C)cc4,CC1CN(CCC1(C(=O)OCc2ccccc2)c3ccccc3)S(=O)(=O)c4ccc(C)cc4,"InChI=1/C27H29NO4S/c1-21-13-15-25(16-14-21)33(30,31)28-18-17-27(22(2)19-28,24-11-7-4-8-12-24)26(29)32-20-23-9-5-3-6-10-23/h3-16,22H,17-20H2,1-2H3",C27H29NO4S,,,,,,BKRKRKJVVVDWKX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.827,281-234-2,83898-26-4,1-benzyl-4-(p-tolyl)piperidin-4-ol hydrochloride,1-benzyl-4-(4-methylphenyl)piperidin-4-ol hydrochloride,Cl.Cc1ccc(cc1)C2(O)CCN(Cc3ccccc3)CC2,Cl.Cc1ccc(cc1)C2(O)CCN(Cc3ccccc3)CC2,"InChI=1/C19H23NO.ClH/c1-16-7-9-18(10-8-16)19(21)11-13-20(14-12-19)15-17-5-3-2-4-6-17;/h2-10,21H,11-15H2,1H3;1H",C19H23NO.ClH,,,,,,JGTVXUARRNPJEE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.445,284-120-0,84787-78-0,Bis(4-nonylphenyl) tridecyl phosphite,bis(4-nonylphenyl) tridecyl phosphite,CCCCCCCCCCCCCOP(Oc1ccc(CCCCCCCCC)cc1)Oc2ccc(CCCCCCCCC)cc2,CCCCCCCCCCCCCOP(Oc1ccc(CCCCCCCCC)cc1)Oc2ccc(CCCCCCCCC)cc2,"InChI=1/C43H73O3P/c1-4-7-10-13-16-17-18-19-22-25-28-39-44-47(45-42-35-31-40(32-36-42)29-26-23-20-14-11-8-5-2)46-43-37-33-41(34-38-43)30-27-24-21-15-12-9-6-3/h31-38H,4-30,39H2,1-3H3",C43H73O3P,,,,,,YVLPWWITIWFSKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.337,277-393-2,73347-78-1,6-ethylidenebicyclo[2.2.1]hept-2-yl propionate,6-ethylidenebicyclo[2.2.1]hept-2-yl propionate,CCC(=O)OC2CC1CC2C(C1)=CC,CCC(=O)OC2CC1CC2C(C1)=CC,"InChI=1/C12H18O2/c1-3-9-5-8-6-10(9)11(7-8)14-12(13)4-2/h3,8,10-11H,4-7H2,1-2H3",C12H18O2,,,,,,OIUKIGBGOYCJMK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.108,269-440-0,68239-27-0,"3-chloro-4-(morpholin-4-yl)-3-cyclobutene-1,2-dione","3-chloro-4-morpholin-4-ylcyclobut-3-ene-1,2-dione",ClC1=C(N2CCOCC2)C(=O)C1=O,ClC1=C(N2CCOCC2)C(=O)C1=O,InChI=1/C8H8ClNO3/c9-5-6(8(12)7(5)11)10-1-3-13-4-2-10/h1-4H2,C8H8ClNO3,,,,,,MRSXFXHLKHAXQI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.114,269-446-3,68239-51-0,Chromium(3+) hexafluorosilicate(2-),chromium(3+) hexafluorosilicate(2-),[Cr+3].[Cr+3].F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F,[Cr+3].[Cr+3].F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F,"InChI=1/2Cr.3F6Si/c;;3*1-7(2,3,4,5)6/q2*+3;3*-2",Cr.3/2F6Si,,,,,,KLDJJNQACSOUFS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.120,269-453-1,68239-60-1,"2-methyl-7-oxo-7H-dibenz[f,ij]isoquinoline-4-sulphonic acid","2-methyl-7-oxo-7H-naphtho[1,2,3-de]quinoline-4-sulfonic acid",Cc1cc2c3ccccc3C(=O)c4ccc(c(n1)c24)S(=O)(=O)O,Cc1cc2c3ccccc3C(=O)c4ccc(c(n1)c24)S(=O)(=O)O,"InChI=1/C17H11NO4S/c1-9-8-13-10-4-2-3-5-11(10)17(19)12-6-7-14(23(20,21)22)16(18-9)15(12)13/h2-8H,1H3,(H,20,21,22)",C17H11NO4S,,,,,,YWVBEIADCVGBHU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.129,269-463-6,68239-70-3,Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate,"N,N-diethylethanaminium [5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate",CC[NH+](CC)CC.[O-]C(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,CC[NH+](CC)CC.[O-]C(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC,"InChI=1/C14H12N2O3S3.C6H15N/c1-2-15-8-5-3-4-6-9(8)21-13(15)11-12(19)16(7-10(17)18)14(20)22-11;1-4-7(5-2)6-3/h3-6H,2,7H2,1H3,(H,17,18);4-6H2,1-3H3",C14H12N2O3S3.C6H15N,,,,,,HQFWNSHRGDOPHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.107,281-543-2,83968-62-1,"4-hydroxy-2-quinolone, disodium salt","4-hydroxy-2-quinolone, disodium salt",[Na+].[Na+].OC1=CC(=O)Nc2ccccc12,[Na+].[Na+].OC1=CC(=O)Nc2ccccc12,"InChI=1/C9H7NO2.2Na/c11-8-5-9(12)10-7-4-2-1-3-6(7)8;;/h1-5H,(H2,10,11,12);;/q;2*+1",C9H7NO2.2Na,,,,,,RWJXPVCCOPVEHM-UHFFFAOYSA-N,,,,,,,,,,,
100.074.111,281-547-4,83968-66-5,"Trisodium 4-amino-3-[[4'-[(4-amino-2-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4'-[(4-amino-2-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6cc(N)ccc6N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S([O-])(=O)=O)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5,[Na+].[Na+].[Na+].Oc6cc(N)ccc6N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S([O-])(=O)=O)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5,"InChI=1/C34H26N8O11S3.3Na/c35-21-5-14-26(27(43)17-21)40-37-22-6-1-18(2-7-22)19-3-8-23(9-4-19)38-41-32-28(55(48,49)50)15-20-16-29(56(51,52)53)33(34(44)30(20)31(32)36)42-39-24-10-12-25(13-11-24)54(45,46)47;;;/h1-17,43-44H,35-36H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C34H26N8O11S3.3Na,,,,,,JETJMEZGMURXPT-UHFFFAOYSA-K,,,,,,,,,,,
100.076.631,284-325-5,84852-15-3,"Phenol, 4-nonyl-, branched",4-(7-methyloctyl)phenol,CC(C)CCCCCCc1ccc(O)cc1,CC(C)CCCCCCc1ccc(O)cc1,"InChI=1/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15896,https://echa.europa.eu/substance-information/-/substanceinfo/100.076.631,JSFITYFUKSFPBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.639,284-333-9,84852-23-3,"Dipotassium hydrogen 7-aminonaphthalene-1,3,6-trisulphonate","dipotassium hydrogen 7-aminonaphthalene-1,3,6-trisulfonate",[K+].[K+].Nc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].[K+].Nc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO9S3.2K/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;/q;2*+1/p-3",C10H9NO9S3.2K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10570,https://echa.europa.eu/substance-information/-/substanceinfo/100.076.639,KTTRLLGDKUTPRT-UHFFFAOYSA-K,,,,,,,,,,,
100.076.642,284-337-0,84852-26-6,"Dipotassium 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulphonatophenyl]amino]anthracene-2-sulphonate","dipotassium 1-amino-9,10-dioxo-4-{[3-(propionylamino)-4-sulfonatophenyl]amino}-9,10-dihydroanthracene-2-sulfonate",[K+].[K+].CCC(=O)Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-],[K+].[K+].CCC(=O)Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-],"InChI=1/C23H19N3O9S2.2K/c1-2-18(27)26-14-9-11(7-8-16(14)36(30,31)32)25-15-10-17(37(33,34)35)21(24)20-19(15)22(28)12-5-3-4-6-13(12)23(20)29;;/h3-10,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H19N3O9S2.2K,,,,,,KYZKUVKWCDIFNB-UHFFFAOYSA-L,,,,,,,,,,,
100.076.649,284-344-9,84852-33-5,"2,3,5,5',6,6'-hexahydro-2'-mercapto-2,6,6'-trithioxo[3,3'-bi-4H-thiopyran]-4,4'-dione","2'-sulfanyl-2,6,6'-trithioxo-2,3,5,5',6,6'-hexahydro-4H,4'H-3,3'-bithiopyran-4,4'-dione",SC1=C(C2C(=O)CC(=S)SC2=S)C(=O)CC(=S)S1,SC1=C(C2C(=O)CC(=S)SC2=S)C(=O)CC(=S)S1,"InChI=1/C10H6O2S6/c11-3-1-5(13)17-9(15)7(3)8-4(12)2-6(14)18-10(8)16/h7,16H,1-2H2",C10H6O2S6,,,,,,OMLAZTBGQFDFOE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.657,281-047-6,83846-69-9,"3-ethyl-2-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]benzothiazolium iodide","3-ethyl-2-(3-{3-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-1-en-1-yl)-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]4c5ccccc5sc4C=CC=C1\\C=C(/CC(C)(C)C1)C=C3Sc2ccccc2N3CC,[I-].CC[n+]4c5ccccc5sc4C=CC=C1\C=C(/CC(C)(C)C1)C=C3Sc2ccccc2N3CC,"InChI=1/C30H33N2S2.HI/c1-5-31-24-13-7-9-15-26(24)33-28(31)17-11-12-22-18-23(21-30(3,4)20-22)19-29-32(6-2)25-14-8-10-16-27(25)34-29;/h7-19H,5-6,20-21H2,1-4H3;1H/q+1;/p-1",C30H33N2S2.I,,,,,,XIKBXWGLIPMDCY-UHFFFAOYSA-M,,,,,,,,,,,
100.073.661,281-051-8,83846-73-5,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-(methylsulphonyl)benzamide monohydrochloride,N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-(methylsulfonyl)benzamide hydrochloride,Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)C,Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)C,"InChI=1/C16H24N2O4S.ClH/c1-4-18-9-5-6-12(18)11-17-16(19)14-10-13(23(3,20)21)7-8-15(14)22-2;/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,17,19);1H",C16H24N2O4S.ClH,,,,,,CMTUILLNZNUNCC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.666,281-057-0,83846-78-0,"(3,4-diaminophenyl) (2-thienyl) ketone","(3,4-diaminophenyl)(2-thienyl)methanone",Nc1ccc(cc1N)C(=O)c2cccs2,Nc1ccc(cc1N)C(=O)c2cccs2,"InChI=1/C11H10N2OS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,12-13H2",C11H10N2OS,,,,,,OVVRQDDFAJNUGP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.670,281-061-2,83846-82-6,Ethyl 4-hydroxy-4-(p-tolyl)piperidine-1-carboxylate,ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate,CCOC(=O)N1CCC(O)(CC1)c2ccc(C)cc2,CCOC(=O)N1CCC(O)(CC1)c2ccc(C)cc2,"InChI=1/C15H21NO3/c1-3-19-14(17)16-10-8-15(18,9-11-16)13-6-4-12(2)5-7-13/h4-7,18H,3,8-11H2,1-2H3",C15H21NO3,,,,,,WEOTZCSUBYPPFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.675,281-067-5,83846-87-1,"3,5-bis[(1-oxopropyl)amino]benzoic acid","3,5-bis(propionylamino)benzoic acid",CCC(=O)Nc1cc(NC(=O)CC)cc(c1)C(=O)O,CCC(=O)Nc1cc(NC(=O)CC)cc(c1)C(=O)O,"InChI=1/C13H16N2O4/c1-3-11(16)14-9-5-8(13(18)19)6-10(7-9)15-12(17)4-2/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)",C13H16N2O4,,,,,,DWFNEOGXOLFRRK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.676,281-068-0,83846-88-2,"(S)-phenyl[[(2,2,2-trichloroethoxy)carbonyl]amino]acetic acid","phenyl{[(2,2,2-trichloroethoxy)carbonyl]amino}acetic acid",OC(=O)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1,OC(=O)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1,"InChI=1/C11H10Cl3NO4/c12-11(13,14)6-19-10(18)15-8(9(16)17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)",C11H10Cl3NO4,,,,,,LROKCBKQEZCUKI-QMMMGPOBSA-N,,,,,,,,,,,
100.073.678,281-070-1,83846-90-6,2-(2-hydroxyethoxy)ethyl D-glucopyranoside,2-(2-hydroxyethoxy)ethyl D-glucopyranoside,OCCOCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,OCCOCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C10H20O8/c11-1-2-16-3-4-17-10-9(15)8(14)7(13)6(5-12)18-10/h6-15H,1-5H2",C10H20O8,,,,,,DFVFAJRQBLQACP-ZKZCYXTQSA-N,,,,,,,,,,,
100.075.536,283-116-6,84540-24-9,"N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-N-[N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamoyl]lauramide","N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-N-{[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamoyl}dodecanamide",CCCCCCCCCCCC(=O)N(CC1(C)CC(CC(C)(C)C1)N=C=O)C(=O)NCC2(C)CC(CC(C)(C)C2)N=C=O,CCCCCCCCCCCC(=O)N(CC1(C)CC(CC(C)(C)C1)N=C=O)C(=O)NCC2(C)CC(CC(C)(C)C2)N=C=O,"InChI=1/C35H60N4O4/c1-8-9-10-11-12-13-14-15-16-17-30(42)39(25-35(7)21-29(38-27-41)19-33(4,5)23-35)31(43)36-24-34(6)20-28(37-26-40)18-32(2,3)22-34/h28-29H,8-25H2,1-7H3,(H,36,43)",C35H60N4O4,,,,,,VZWTXSWIXCKJLV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.547,283-128-1,84540-35-2,4-(4-propylcyclohexyl)phenyl 4-butylcyclohexanecarboxylate,4-(4-propylcyclohexyl)phenyl 4-butylcyclohexanecarboxylate,CCCCC1CCC(CC1)C(=O)Oc2ccc(cc2)C3CCC(CCC)CC3,CCCCC1CCC(CC1)C(=O)Oc2ccc(cc2)C3CCC(CCC)CC3,"InChI=1/C26H40O2/c1-3-5-7-21-10-14-24(15-11-21)26(27)28-25-18-16-23(17-19-25)22-12-8-20(6-4-2)9-13-22/h16-22,24H,3-15H2,1-2H3",C26H40O2,,,,,,NDGYDNIXYKYKAC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.548,283-129-7,84540-36-3,"trans-4-butyl-4'-(4-pentylcyclohexyl)-1,1'-biphenyl",4-butyl-4'-(4-pentylcyclohexyl)biphenyl,CCCCCC1CCC(CC1)c2ccc(cc2)c3ccc(CCCC)cc3,CCCCCC1CCC(CC1)c2ccc(cc2)c3ccc(CCCC)cc3,"InChI=1/C27H38/c1-3-5-7-9-23-12-16-25(17-13-23)27-20-18-26(19-21-27)24-14-10-22(11-15-24)8-6-4-2/h10-11,14-15,18-21,23,25H,3-9,12-13,16-17H2,1-2H3",C27H38,,,,,,JYNBIXBHAKVVBW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.554,283-136-5,84540-42-1,Calcium hexadec-2-enylsuccinate,calcium 2-hexadec-2-en-1-ylsuccinate,[Ca+2].[O-]C(=O)CC(CC=CCCCCCCCCCCCCC)C([O-])=O,[Ca+2].[O-]C(=O)CC(CC=CCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C20H36O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24);/q;+2/p-2",C20H36O4.Ca,,,,,,KRYNGFLBRSTTDE-UHFFFAOYSA-L,,,,,,,,,,,
100.075.566,283-149-6,84540-54-5,11H-benzo[b]fluorenecarbonitrile,11H-benzo[b]fluorene-1-carbonitrile,N#Cc1cccc2c1Cc3cc4ccccc4cc23,N#Cc1cccc2c1Cc3cc4ccccc4cc23,"InChI=1/C18H11N/c19-11-14-6-3-7-16-17(14)10-15-8-12-4-1-2-5-13(12)9-18(15)16/h1-9H,10H2",C18H11N,,,,,,RGBYMORTJFCCPK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.627,274-413-1,70210-16-1,"N,N'-[(9,10-dihydro-2-methyl-9,10-dioxoanthracene-1,4-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)","N,N'-{(2-methyl-9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide",Cc1cc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)c6C(=O)c7ccccc7C(=O)c6c1Nc8ccc(NC(=O)c9ccccc9)c%10C(=O)c%11ccccc%11C(=O)c8%10,Cc1cc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)c6C(=O)c7ccccc7C(=O)c6c1Nc8ccc(NC(=O)c9ccccc9)c%10C(=O)c%11ccccc%11C(=O)c8%10,"InChI=1/C57H34N4O8/c1-29-28-42(58-38-24-26-40(60-56(68)30-14-4-2-5-15-30)45-43(38)50(62)32-18-8-10-20-34(32)52(45)64)47-48(55(67)37-23-13-12-22-36(37)54(47)66)49(29)59-39-25-27-41(61-57(69)31-16-6-3-7-17-31)46-44(39)51(63)33-19-9-11-21-35(33)53(46)65/h2-28,58-59H,1H3,(H,60,68)(H,61,69)",C57H34N4O8,,,,,,WXSGENSDDSFVKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.851,274-660-5,70528-90-4,"5-[(4-chloro-2-nitrophenyl)azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","5-[(4-chloro-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1ccc(Cl)cc1[N+]([O-])=O)=C(\\O)N2CC,O=C2C(/C#N)=C(/C)\C(\N=Nc1ccc(Cl)cc1[N+]([O-])=O)=C(\O)N2CC,"InChI=1/C15H12ClN5O4/c1-3-20-14(22)10(7-17)8(2)13(15(20)23)19-18-11-5-4-9(16)6-12(11)21(24)25/h4-6,23H,3H2,1-2H3",C15H12ClN5O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16404,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.851,BBVOMHRLNCRXRH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.856,274-665-2,70544-82-0,"(E,E)-bis[(3,7-dimethyl-2,6-octadienyl)oxy]methoxymethylsilane","({bis[(3,7-dimethylocta-2,6-dien-1-yl)oxy]methoxy}methyl)silane",CC(=CCC\\C(=C\\COC(OC[SiH3])OC\\C=C(/C)\\CCC=C(C)C)\\C)C,CC(=CCC\C(=C\COC(OC[SiH3])OC\C=C(/C)\CCC=C(C)C)\C)C,"InChI=1/C22H40O3Si/c1-18(2)9-7-11-20(5)13-15-23-22(25-17-26)24-16-14-21(6)12-8-10-19(3)4/h9-10,13-14,22H,7-8,11-12,15-17H2,1-6,26H3",C22H40O3Si,,,,,,WFPLWCZUDFYEAG-KVVJQUGZSA-N,,,,,,,,,,,
100.067.857,274-666-8,70544-83-1,"(E)-[(3,7-dimethyl-2,6-octadienyl)oxy]dimethoxymethylsilane","{[(3,7-dimethylocta-2,6-dien-1-yl)oxy](dimethoxy)methyl}silane",COC([SiH3])(OC)OC\\C=C(/C)\\CCC=C(C)C,COC([SiH3])(OC)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C13H26O3Si/c1-11(2)7-6-8-12(3)9-10-16-13(17,14-4)15-5/h7,9H,6,8,10H2,1-5,17H3",C13H26O3Si,,,,,,MGJNTKUWOYHHBU-FMIVXFBMSA-N,,,,,,,,,,,
100.067.858,274-667-3,70546-12-2,3-(5-chlorobenzoxazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile,"3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-4-carbonitrile",CCN(CC)c1ccc2C(=C(C(=O)Oc2c1)c3oc4ccc(Cl)cc4n3)C#N,CCN(CC)c1ccc2C(=C(C(=O)Oc2c1)c3oc4ccc(Cl)cc4n3)C#N,"InChI=1/C21H16ClN3O3/c1-3-25(4-2)13-6-7-14-15(11-23)19(21(26)28-18(14)10-13)20-24-16-9-12(22)5-8-17(16)27-20/h5-10H,3-4H2,1-2H3",C21H16ClN3O3,,,,,,AMMKISDXNUDHFE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.864,274-674-1,70571-79-8,"Sodium 1-amino-4-[[4-(benzoylamino)phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-{[4-(benzoylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)c5ccccc5)cc4)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)c5ccccc5)cc4)cc1S(=O)(=O)[O-],"InChI=1/C27H19N3O6S.Na/c28-24-21(37(34,35)36)14-20(22-23(24)26(32)19-9-5-4-8-18(19)25(22)31)29-16-10-12-17(13-11-16)30-27(33)15-6-2-1-3-7-15;/h1-14,29H,28H2,(H,30,33)(H,34,35,36);/q;+1/p-1",C27H19N3O6S.Na,,,,,,JDIXQZYGGNJCJZ-UHFFFAOYSA-M,,,,,,,,,,,
100.067.865,274-675-7,70571-81-2,"Sodium 4-[[3-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 4-[(3-acetamidophenyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O,[Na+].CC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O,"InChI=1/C22H17N3O6S.Na/c1-11(26)24-12-5-4-6-13(9-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-7-2-3-8-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1",C22H17N3O6S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18659,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.865,MIBVDSFVCOIWCC-UHFFFAOYSA-M,,,,,,,,,,,
100.067.869,274-679-9,70581-71-4,"Copper(2+) (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-ß-alaninate","copper(2+) bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate}",[Cu+2].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],[Cu+2].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],"InChI=1/2C9H17NO5.Cu/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2",C9H17NO5.1/2Cu,,,,,,QUFKSSHMEXRJCK-UBKPKTQASA-L,,,,,,,,,,,
100.068.752,275-650-3,71592-44-4,Hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one,3-(3-hydroxyphenyl)-1-methylazepan-2-one,CN1CCCCC(C1=O)c2cccc(O)c2,CN1CCCCC(C1=O)c2cccc(O)c2,"InChI=1/C13H17NO2/c1-14-8-3-2-7-12(13(14)16)10-5-4-6-11(15)9-10/h4-6,9,12,15H,2-3,7-8H2,1H3",C13H17NO2,,,,,,IBNKFKLIUOMAQB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.756,275-655-0,71598-25-9,Sodium 3-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-4-[(4-methylphenyl)sulphonyl]benzenesulphonate,sodium 3-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-4-[(4-methylphenyl)sulfonyl]benzenesulfonate,[Na+].Cc1ccc(cc1)S(=O)(=O)c4ccc(cc4N=Nc2ccc(cc2)N(Cc3ccccc3)CC)S([O-])(=O)=O,[Na+].Cc1ccc(cc1)S(=O)(=O)c4ccc(cc4N=Nc2ccc(cc2)N(Cc3ccccc3)CC)S([O-])(=O)=O,"InChI=1/C28H27N3O5S2.Na/c1-3-31(20-22-7-5-4-6-8-22)24-13-11-23(12-14-24)29-30-27-19-26(38(34,35)36)17-18-28(27)37(32,33)25-15-9-21(2)10-16-25;/h4-19H,3,20H2,1-2H3,(H,34,35,36);/q;+1/p-1",C28H27N3O5S2.Na,,,,,,DNBANTODNHCELL-UHFFFAOYSA-M,,,,,,,,,,,
100.069.993,277-016-1,72918-26-4,"2,3-dichloro-1,4-bis(methylamino)anthraquinone","2,3-dichloro-1,4-bis(methylamino)-9,10-anthraquinone",CNc1c(Cl)c(Cl)c(NC)c2C(=O)c3ccccc3C(=O)c12,CNc1c(Cl)c(Cl)c(NC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H12Cl2N2O2/c1-19-13-9-10(14(20-2)12(18)11(13)17)16(22)8-6-4-3-5-7(8)15(9)21/h3-6,19-20H,1-2H3",C16H12Cl2N2O2,,,,,,HBXFQISVGNEFQU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.446,284-121-6,84787-79-1,"Hexadecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctacosa-2,9-dienoate","hexadecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctacosa-2,9-dien-1-oate",O=C(O[Sn](CCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC)CCCC)C=CC(=O)OCCCCCCCCCCCCCCCC,O=C(O[Sn](CCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC)CCCC)C=CC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/2C20H36O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;2*1-3-4-2;/h2*16-17H,2-15,18H2,1H3,(H,21,22);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC48H88O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-41-53-45(49)37-39-47(51)55-57(43-11-7-3,44-12-8-4)56-48(52)40-38-46(50)54-42-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h37-40H,5-36,41-44H2,1-4H3",C48H88O8Sn,,,,,,WKBGYBQIHPLBDZ-UHFFFAOYSA-L,,,,,,,,,,,
100.076.456,284-132-6,84787-90-6,Dimethyloleoyl[3-(stearoylamino)propyl]ammonium chloride,"N,N-dimethyl-1-oxo-N-[3-(stearoylamino)propyl]octadec-9-en-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C(=O)CCCCCCC\\C=C/CCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C41H80N2O2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40(44)42-38-35-39-43(3,4)41(45)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h20,22H,5-19,21,23-39H2,1-4H3;1H",C41H81N2O2.Cl,,,,,,ZWRXPDOCSMTWOM-KGYDJYTLSA-N,,,,,,,,,,,
100.076.463,284-139-4,84788-01-2,"1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)azo]-1H-1,2,4-triazolium chloride","1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)diazenyl]-4,5-dihydro-1H-1,2,4-triazol-1-ium chloride",[Cl-].CN4/C=N\\[NH+](C)C4N=Nc1c3ccccc3nc1c2ccccc2,[Cl-].CN4/C=N\[NH+](C)C4N=Nc1c3ccccc3nc1c2ccccc2,"InChI=1/C18H18N6.ClH/c1-23-12-19-24(2)18(23)22-21-17-14-10-6-7-11-15(14)20-16(17)13-8-4-3-5-9-13;/h3-12,18,20H,1-2H3;1H",C18H17N6.Cl,,,,,,YQVQSYSGSOUXAO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.465,284-142-0,84788-03-4,"1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium nitrate","1,3,3-trimethyl-2-[methyl(phenyl)carbonohydrazonoyl]-3H-indolium nitrate",[O-][N+]([O-])=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,[O-][N+]([O-])=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,"InChI=1/C19H22N3.NO3/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;2-1(3)4/h5-14H,1-4H3;/q+1;-1",C19H22N3.NO3,,,,,,QIGUALQIMHGHGD-UHFFFAOYSA-N,,,,,,,,,,,
100.076.466,284-143-6,84788-04-5,"3,7-dimethylocta-1,5,7-trien-3-yl acetate","1,5-dimethyl-1-vinylhexa-3,5-dien-1-yl acetate",C=C(C)C=CCC(C)(C=C)OC(=O)C,C=C(C)C=CCC(C)(C=C)OC(=O)C,"InChI=1/C12H18O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6-8H,1-2,9H2,3-5H3",C12H18O2,,,,,,BTTUBYGGUJLPGO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.469,284-146-2,84788-07-8,4-[bis(phenylmethyl)amino]-3-ethoxybenzenediazonium tetrafluoroborate,4-(dibenzylamino)-3-ethoxybenzenediazonium tetrafluoroborate,CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N.F[B-](F)(F)F,CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N.F[B-](F)(F)F,"InChI=1/C22H22N3O.BF4/c1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;2-1(3,4)5/h3-15H,2,16-17H2,1H3;/q+1;-1",C22H22N3O.BF4,,,,,,NQMXZPCBBPPFGL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.725,283-325-2,84604-45-5,Methyl 2-[(2-methyl-1-oxobutyl)amino]benzoate,methyl 2-[(2-methylbutanoyl)amino]benzoate,CCC(C)C(=O)Nc1ccccc1C(=O)OC,CCC(C)C(=O)Nc1ccccc1C(=O)OC,"InChI=1/C13H17NO3/c1-4-9(2)12(15)14-11-8-6-5-7-10(11)13(16)17-3/h5-9H,4H2,1-3H3,(H,14,15)",C13H17NO3,,,,,,ZBXDUIMIFPKWMB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.729,283-329-4,84604-49-9,"2-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one","2-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-one",CC(C)C(=O)C1CC(C)CC(C)(C)C1,CC(C)C(=O)C1CC(C)CC(C)(C)C1,"InChI=1/C13H24O/c1-9(2)12(14)11-6-10(3)7-13(4,5)8-11/h9-11H,6-8H2,1-5H3",C13H24O,,,,,,GEHCZEBBRIVDOD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.735,283-336-2,84604-55-7,4-(3-oxobutyl)phenyl formate,4-(3-oxobutyl)phenyl formate,CC(=O)CCc1ccc(OC=O)cc1,CC(=O)CCc1ccc(OC=O)cc1,"InChI=1/C11H12O3/c1-9(13)2-3-10-4-6-11(7-5-10)14-8-12/h4-8H,2-3H2,1H3",C11H12O3,,,,,,ZZFMJIBHZZTLPK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.738,283-339-9,84604-58-0,2-pentylcyclopentanecarbaldehyde,2-pentylcyclopentanecarbaldehyde,CCCCCC1CCCC1C=O,CCCCCC1CCCC1C=O,"InChI=1/C11H20O/c1-2-3-4-6-10-7-5-8-11(10)9-12/h9-11H,2-8H2,1H3",C11H20O,,,,,,MHKAJZIRAYWAOI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.740,283-342-5,84604-60-4,a-butyl-2-hydroxycyclohexanemethanol,2-(1-hydroxypentyl)cyclohexanol,CCCCC(O)C1CCCCC1O,CCCCC(O)C1CCCCC1O,"InChI=1/C11H22O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h9-13H,2-8H2,1H3",C11H22O2,,,,,,SHHNDYQHPWSWAE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.744,283-346-7,84604-64-8,Octahydro-1-isopropyl-3H-2-benzopyran-3-one,1-isopropyloctahydro-3H-isochromen-3-one,CC(C)C1OC(=O)CC2CCCCC12,CC(C)C1OC(=O)CC2CCCCC12,"InChI=1/C12H20O2/c1-8(2)12-10-6-4-3-5-9(10)7-11(13)14-12/h8-10,12H,3-7H2,1-2H3",C12H20O2,,,,,,VODJLKMFVDDWEY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.747,283-349-3,84604-67-1,"1,3-diethyl-2-fluorobenzene","1,3-diethyl-2-fluorobenzene",CCc1cccc(CC)c1F,CCc1cccc(CC)c1F,"InChI=1/C10H13F/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3",C10H13F,,,,,,BJINCTYPVIJQPO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.341,277-397-4,73353-25-0,"(2-carboxyethyl)-3-[[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]amino]propyldimethylammonium hydroxide","N-(2-carboxyethyl)-3-{[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]amino}-N,N-dimethylpropan-1-aminium hydroxide",[OH-].C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CCC(=O)O,[OH-].C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CCC(=O)O,"InChI=1/C20H23F19N2O3.H2O/c1-41(2,7-4-11(43)44)6-3-5-40-9-10(42)8-12(21,22)14(24,25)16(28,29)18(32,33)17(30,31)15(26,27)13(23,19(34,35)36)20(37,38)39;/h10,40,42H,3-9H2,1-2H3;1H2",C20H23F19N2O3,,,,,,PYARMOUCKHFGKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.349,277-407-7,73384-65-3,2-[(2-cyanoethyl)[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]ethyl ethyl carbonate,"2-[(2-cyanoethyl){4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl ethyl carbonate",CCOC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O,CCOC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O,"InChI=1/C21H20N6O5S/c1-2-31-21(28)32-13-12-26(11-3-10-22)16-6-4-15(5-7-16)24-25-20-23-18-9-8-17(27(29)30)14-19(18)33-20/h4-9,14H,2-3,11-13H2,1H3",C21H20N6O5S,,,,,,FXSQGNUSSGMZJP-UHFFFAOYSA-N,,,,,,,,,,,
100.070.351,277-409-8,73384-67-5,N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(2-cyanoethyl)[2-(2-ethoxyethoxy)ethyl]amino]phenyl]acetamide,N-(2-[(2-chloro-4-nitrophenyl)diazenyl]-5-{(2-cyanoethyl)[2-(2-ethoxyethoxy)ethyl]amino}phenyl)acetamide,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC#N)CCOCCOCC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC#N)CCOCCOCC)[N+]([O-])=O,"InChI=1/C23H27ClN6O5/c1-3-34-13-14-35-12-11-29(10-4-9-25)18-5-8-22(23(16-18)26-17(2)31)28-27-21-7-6-19(30(32)33)15-20(21)24/h5-8,15-16H,3-4,10-14H2,1-2H3,(H,26,31)",C23H27ClN6O5,,,,,,KXTGCBFHJRKDQM-UHFFFAOYSA-N,,,,,,,,,,,
100.070.354,277-412-4,73384-70-0,"8-amino-2,3,6-tribromo-5-hydroxy-1,4-naphthoquinone","8-amino-2,3,6-tribromo-5-hydroxy-1,4-naphthoquinone",Nc1cc(Br)c(O)c2C(=O)C(=C(Br)C(=O)c12)Br,Nc1cc(Br)c(O)c2C(=O)C(=C(Br)C(=O)c12)Br,"InChI=1/C10H4Br3NO3/c11-2-1-3(14)4-5(8(2)15)10(17)7(13)6(12)9(4)16/h1,15H,14H2",C10H4Br3NO3,,,,,,JYQCNZRDPHBDHC-UHFFFAOYSA-N,,,,,,,,,,,
100.070.356,277-415-0,73384-72-2,"1-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthyl]amino]-3-methoxypropan-2-ol","1-({4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthyl}amino)-3-methoxypropan-2-ol",Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCC(O)COC)c1ccccc12)[N+]([O-])=O,Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCC(O)COC)c1ccccc12)[N+]([O-])=O,"InChI=1/C20H18BrN5O6/c1-32-11-13(27)10-22-17-6-7-18(15-5-3-2-4-14(15)17)23-24-20-16(21)8-12(25(28)29)9-19(20)26(30)31/h2-9,13,22,27H,10-11H2,1H3",C20H18BrN5O6,,,,,,KZGZAYLQUXXZBE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.358,277-417-1,73384-74-4,3-[(2-hydroxyethyl)[4-[(6-methoxybenzothiazol-2-yl)azo]-3-methylphenyl]amino]propiononitrile,"3-[(2-hydroxyethyl){4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-3-methylphenyl}amino]propanenitrile",N#CCCN(CCO)c3ccc(N=Nc1nc2ccc(cc2s1)OC)c(C)c3,N#CCCN(CCO)c3ccc(N=Nc1nc2ccc(cc2s1)OC)c(C)c3,"InChI=1/C20H21N5O2S/c1-14-12-15(25(10-11-26)9-3-8-21)4-6-17(14)23-24-20-22-18-7-5-16(27-2)13-19(18)28-20/h4-7,12-13,26H,3,9-11H2,1-2H3",C20H21N5O2S,,,,,,RBHMUFXLBCEVRD-UHFFFAOYSA-N,,,,,,,,,,,
100.070.361,277-420-8,73384-94-8,"N-(1,1-diphosphonoethyl)-ß-alanine, potassium salt","potassium 3-[(1,1-diphosphonoethyl)amino]propanoate",[K+].CC(NCCC(=O)[O-])(P(=O)(O)O)P(=O)(O)O,[K+].CC(NCCC(=O)[O-])(P(=O)(O)O)P(=O)(O)O,"InChI=1/C5H13NO8P2.K/c1-5(15(9,10)11,16(12,13)14)6-3-2-4(7)8;/h6H,2-3H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14);/q;+1/p-1",C5H13NO8P2.xK,,,,,,JYJTXMYHBOUZBV-UHFFFAOYSA-M,,,,,,,,,,,
100.070.363,277-422-9,73385-89-4,N-(tert-butoxycarbonyl)-4-nitro-3-phenyl-L-alanyl-L-prolinamide,3-(2-anilinopropanoyl)-N-(tert-butoxycarbonyl)-4-nitro-L-prolinamide,C[C@H](Nc1ccccc1)C(=O)C2C(CN[C@@H]2C(=O)NC(=O)OC(C)(C)C)[N+](=O)[O-],C[C@H](Nc1ccccc1)C(=O)C2C(CN[C@@H]2C(=O)NC(=O)OC(C)(C)C)[N+](=O)[O-],"InChI=1/C19H26N4O6/c1-11(21-12-8-6-5-7-9-12)16(24)14-13(23(27)28)10-20-15(14)17(25)22-18(26)29-19(2,3)4/h5-9,11,13-15,20-21H,10H2,1-4H3,(H,22,25,26)",C19H26N4O6,,,,,,JVTFWZHVNFOGSP-LLGZUXRYSA-N,,,,,,,,,,,
100.070.366,277-426-0,73398-25-1,3-(diethylamino)-7-(phenylamino)phenoxazin-5-ium trichlorozincate,3-anilino-7-(diethylamino)phenoxazin-5-ium trichlorozincate(1-),CCN(CC)c1ccc2nc3ccc(Nc4ccccc4)cc3[o+]c2c1.Cl[Zn-](Cl)Cl,CCN(CC)c1ccc2nc3ccc(Nc4ccccc4)cc3[o+]c2c1.Cl[Zn-](Cl)Cl,"InChI=1/C22H22N3O.3ClH.Zn/c1-3-25(4-2)18-11-13-20-22(15-18)26-21-14-17(10-12-19(21)24-20)23-16-8-6-5-7-9-16;;;;/h5-15,23H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC22H22N3O.Cl3Zn/c1-3-25(4-2)18-11-13-20-22(15-18)26-21-14-17(10-12-19(21)24-20)23-16-8-6-5-7-9-16;1-4(2)3/h5-15,23H,3-4H2,1-2H3;/q+1;-1",C22H22N3O.Cl3Zn,,,,,,MOVFQCRDTSTHCH-UHFFFAOYSA-K,,,,,,,,,,,
100.070.500,277-573-0,73718-63-5,"2-[[(4-chlorophenyl)methylhydrazono]methyl]-1-ethyl-3,3-dimethyl-3H-indolium chloride","2-[(4-chlorophenyl)(methyl)carbonohydrazonoyl]-1-ethyl-3,3-dimethyl-3H-indolium chloride",[Cl-].Clc1ccc(cc1)N(C)N=C\\C3=[N+](/CC)c2ccccc2C3(C)C,[Cl-].Clc1ccc(cc1)N(C)N=C\C3=[N+](/CC)c2ccccc2C3(C)C,"InChI=1/C20H23ClN3.ClH/c1-5-24-18-9-7-6-8-17(18)20(2,3)19(24)14-22-23(4)16-12-10-15(21)11-13-16;/h6-14H,5H2,1-4H3;1H/q+1;/p-1",C20H23ClN3.Cl,,,,,,HNXRBBUGAWCNFV-UHFFFAOYSA-M,,,,,,,,,,,
100.063.150,269-486-1,68253-35-0,"(E)-2,3-dihydro-1H-inden-1-one oxime",indan-1-one oxime,O\\N=C\\1/CCc2ccccc12,O\N=C\1/CCc2ccccc12,"InChI=1/C9H9NO/c11-10-9-6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6H2",C9H9NO,,,,,,ATEGUFMEFAGONB-MDZDMXLPSA-N,,,,,,,,,,,
100.075.569,283-152-2,84540-57-8,Methoxypropyl acetate,1-methoxypropyl acetate,CCC(OC)OC(=O)C,CCC(OC)OC(=O)C,"InChI=1/C6H12O3/c1-4-6(8-3)9-5(2)7/h6H,4H2,1-3H3",C6H12O3,,,,,,ZAXXZBQODQDCOW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.576,283-160-6,84540-65-8,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-norleucine, compound with cyclohexylamine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-norleucine - cyclohexanamine (1:1),CCCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,CCCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,"InChI=1/C18H24N2O4S.C6H13N/c1-4-5-10-15(18(21)22)19-25(23,24)17-12-7-8-13-14(17)9-6-11-16(13)20(2)3;7-6-4-2-1-3-5-6/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,21,22);6H,1-5,7H2",C18H24N2O4S.C6H13N,,,,,,WRZSGEVGMAPVCB-RSAXXLAASA-N,,,,,,,,,,,
100.075.577,283-161-1,84540-66-9,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-threonine, compound with cyclohexylamine",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-threonine - cyclohexanamine (1:1),CC(O)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,CC(O)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3,"InChI=1/C16H20N2O5S.C6H13N/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3;7-6-4-2-1-3-5-6/h4-10,15,17,19H,1-3H3,(H,20,21);6H,1-5,7H2",C16H20N2O5S.C6H13N,,,,,,QTBHJGKTOJYJOW-GWXPYHJSSA-N,,,,,,,,,,,
100.075.579,283-163-2,84540-68-1,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-tyrosine, compound with cyclohexylamine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-tyrosine - cyclohexanamine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O.NC4CCCCC4,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O.NC4CCCCC4,"InChI=1/C21H22N2O5S.C6H13N/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(27,28)22-18(21(25)26)13-14-9-11-15(24)12-10-14;7-6-4-2-1-3-5-6/h3-12,18,22,24H,13H2,1-2H3,(H,25,26);6H,1-5,7H2",C21H22N2O5S.C6H13N,,,,,,UYKAMQHBCNUFCF-FERBBOLQSA-N,,,,,,,,,,,
100.071.809,279-014-6,78951-27-6,"9-hydroxyundeca-4,10-dienal","9-hydroxyundeca-4,10-dienal",C=CC(O)CCCC=CCCC=O,C=CC(O)CCCC=CCCC=O,"InChI=1/C11H18O2/c1-2-11(13)9-7-5-3-4-6-8-10-12/h2-4,10-11,13H,1,5-9H2",C11H18O2,,,,,,XQKRBGPNSJDPRL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.811,279-016-7,78952-69-9,"4,4'-bis[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis({1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-2,2'-disulfonic acid",O=C(Nc1ccc(C)cc1C)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2C)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)C(C)=O,O=C(Nc1ccc(C)cc1C)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2C)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)C(C)=O,"InChI=1/C36H36N6O10S2/c1-19-7-13-29(21(3)15-19)37-35(45)33(23(5)43)41-39-25-9-11-27(31(17-25)53(47,48)49)28-12-10-26(18-32(28)54(50,51)52)40-42-34(24(6)44)36(46)38-30-14-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,37,45)(H,38,46)(H,47,48,49)(H,50,51,52)",C36H36N6O10S2,,,,,,ZVYYAZLGILHNEO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.818,279-024-0,78972-35-7,"6-(phenylthio)-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one","6-(phenylsulfanyl)-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one",O=C1NC(=S)SC(=N1)Sc2ccccc2,O=C1NC(=S)SC(=N1)Sc2ccccc2,"InChI=1/C9H6N2OS3/c12-7-10-8(13)15-9(11-7)14-6-4-2-1-3-5-6/h1-5H,(H,10,12,13)",C9H6N2OS3,,,,,,LRIJHTTZIWLUKH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.819,279-025-6,78972-51-7,"6-methoxy-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one","6-methoxy-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one",COC1=NC(=O)NC(=S)S1,COC1=NC(=O)NC(=S)S1,"InChI=1/C4H4N2O2S2/c1-8-3-5-2(7)6-4(9)10-3/h1H3,(H,6,7,9)",C4H4N2O2S2,,,,,,KLEVLAOKPYVALO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.820,279-026-1,78974-41-1,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] hydrogen phosphate","bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C22H9F38O4P/c23-5(24,9(29,30)13(37,38)17(45,46)15(41,42)11(33,34)7(27,19(49,50)51)20(52,53)54)1-3-63-65(61,62)64-4-2-6(25,26)10(31,32)14(39,40)18(47,48)16(43,44)12(35,36)8(28,21(55,56)57)22(58,59)60/h1-4H2,(H,61,62)",C22H9F38O4P,,,,,,HWYXDLNPCZITLD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.833,279-040-8,79044-52-3,"Ethyl 5-[3-chloro-4-[(5-nitrothiazol-2-yl)azo]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate","({3-chloro-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}imino)diethane-2,1-diyl diethyl biscarbonate",CCOC(=O)OCCN(CCOC(=O)OCC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(Cl)c2,CCOC(=O)OCCN(CCOC(=O)OCC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(Cl)c2,"InChI=1/C19H22ClN5O8S/c1-3-30-18(26)32-9-7-24(8-10-33-19(27)31-4-2)13-5-6-15(14(20)11-13)22-23-17-21-12-16(34-17)25(28)29/h5-6,11-12H,3-4,7-10H2,1-2H3",C19H22ClN5O8S,,,,,,SZHIDDYWCPGNMW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.836,279-043-4,79044-55-6,"Ethyl 4,5-dihydro-5-oxo-1-phenyl-4-[[4-[[(tetrahydro-2-furyl)methoxy]carbonyl]phenyl]azo]-1H-pyrazole-3-carboxylate","ethyl 5-oxo-1-phenyl-4-({4-[(tetrahydrofuran-2-ylmethoxy)carbonyl]phenyl}diazenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",O=C(OCC1CCCO1)c4ccc(N=NC3C(=N/N(c2ccccc2)C3=O)\\C(=O)OCC)cc4,O=C(OCC1CCCO1)c4ccc(N=NC3C(=N/N(c2ccccc2)C3=O)\C(=O)OCC)cc4,"InChI=1/C24H24N4O6/c1-2-32-24(31)21-20(22(29)28(27-21)18-7-4-3-5-8-18)26-25-17-12-10-16(11-13-17)23(30)34-15-19-9-6-14-33-19/h3-5,7-8,10-13,19-20H,2,6,9,14-15H2,1H3",C24H24N4O6,,,,,,BJTYTOCUTGTXKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.994,277-017-7,72919-81-4,"5-[[4-[dibenzylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate","5-{[4-(dibenzylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",CN4/C=N\\[NH+](C)C4N=Nc1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3.[O-]S(=O)(=O)OC,CN4/C=N\[NH+](C)C4N=Nc1ccc(cc1)N(Cc2ccccc2)Cc3ccccc3.[O-]S(=O)(=O)OC,"InChI=1/C24H26N6.CH4O4S/c1-28-19-25-29(2)24(28)27-26-22-13-15-23(16-14-22)30(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21;1-5-6(2,3)4/h3-16,19,24H,17-18H2,1-2H3;1H3,(H,2,3,4)",C24H25N6.CH3O4S,,,,,,NKIUFMZGBRKTBA-UHFFFAOYSA-N,,,,,,,,,,,
100.069.998,277-021-9,72927-73-2,"4-[(2,5-dichlorophenyl)azo]-N-[4-[[4-[[[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide","4-[(2,5-dichlorophenyl)diazenyl]-N-(4-{[4-({4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthoyl}amino)benzoyl]amino}phenyl)-3-hydroxy-2-naphthamide",Clc8ccc(Cl)cc8N=Nc6c7ccccc7cc(C(=O)Nc5ccc(NC(=O)c4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)ccc2Cl)c3O)cc4)cc5)c6O,Clc8ccc(Cl)cc8N=Nc6c7ccccc7cc(C(=O)Nc5ccc(NC(=O)c4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)ccc2Cl)c3O)cc4)cc5)c6O,"InChI=1/C47H29Cl4N7O5/c48-28-11-19-37(50)39(23-28)55-57-41-33-7-3-1-5-26(33)21-35(43(41)59)46(62)53-30-13-9-25(10-14-30)45(61)52-31-15-17-32(18-16-31)54-47(63)36-22-27-6-2-4-8-34(27)42(44(36)60)58-56-40-24-29(49)12-20-38(40)51/h1-24,59-60H,(H,52,61)(H,53,62)(H,54,63)",C47H29Cl4N7O5,,,,,,KBJVUVWQWIQQPG-UHFFFAOYSA-N,,,,,,,,,,,
100.064.130,270-565-8,68443-92-5,Diethyl(2-hydroxyethyl)[2-[(1-oxooctadecyl)amino]ethyl]ammonium ethyl sulphate,"N,N-diethyl-2-hydroxy-N-[2-(stearoylamino)ethyl]ethanaminium ethyl sulfate",CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CC)CCO.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CC)CCO.CCOS(=O)(=O)[O-],"InChI=1/C26H54N2O2.C2H6O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27-22-23-28(5-2,6-3)24-25-29;1-2-6-7(3,4)5/h29H,4-25H2,1-3H3;2H2,1H3,(H,3,4,5)",C26H55N2O2.C2H5O4S,,,,,,STDNLQPRAPEPQC-UHFFFAOYSA-N,,,,,,,,,,,
100.064.137,270-573-1,68444-01-9,"Methyl 3-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]propionate","methyl 3-[2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoate",CCCCCCCCCCCC1=NCCN1CCOCCC(=O)OC,CCCCCCCCCCCC1=NCCN1CCOCCC(=O)OC,"InChI=1/C20H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-19-21-14-15-22(19)16-18-25-17-13-20(23)24-2/h3-18H2,1-2H3",C20H38N2O3,,,,,,MDACUSSBOYFWQT-UHFFFAOYSA-N,,,,,,,,,,,
100.064.141,270-577-3,68444-05-3,"5-ethyl-5-(2-methylbutyl)-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione","5-ethyl-5-(2-methylbutyl)-1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione",CCC(C)CC1(CC)N(CC2CO2)C(=O)N(CC3CO3)C1=O,CCC(C)CC1(CC)N(CC2CO2)C(=O)N(CC3CO3)C1=O,"InChI=1/C16H26N2O4/c1-4-11(3)6-16(5-2)14(19)17(7-12-9-21-12)15(20)18(16)8-13-10-22-13/h11-13H,4-10H2,1-3H3",C16H26N2O4,,,,,,DQAHCWJRTIMIAN-UHFFFAOYSA-N,,,,,,,,,,,
100.064.142,270-578-9,68444-07-5,"Potassium 4-benzamido-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","potassium 4-(benzoylamino)-2-{[1-(2-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[K+].[O-]S(=O)(=O)c4ccc(NC(=O)c1ccccc1)cc4N=NC3C(\\C)=N/N(c2ccccc2Cl)C3=O,[K+].[O-]S(=O)(=O)c4ccc(NC(=O)c1ccccc1)cc4N=NC3C(\C)=N/N(c2ccccc2Cl)C3=O,"InChI=1/C23H18ClN5O5S.K/c1-14-21(23(31)29(28-14)19-10-6-5-9-17(19)24)27-26-18-13-16(11-12-20(18)35(32,33)34)25-22(30)15-7-3-2-4-8-15;/h2-13,21H,1H3,(H,25,30)(H,32,33,34);/q;+1/p-1",C23H18ClN5O5S.K,,,,,,LZPLVWJHHGMNIB-UHFFFAOYSA-M,,,,,,,,,,,
100.064.152,270-589-9,68444-18-8,"Hydroxyethyl dihydrogen phosphate, compound with urea (1:2)",1-hydroxyethyl dihydrogen phosphate - urea (1:2),O=C(N)N.CC(O)OP(O)(=O)O.NC(N)=O,O=C(N)N.CC(O)OP(O)(=O)O.NC(N)=O,"InChI=1/C2H7O5P.2CH4N2O/c1-2(3)7-8(4,5)6;2*2-1(3)4/h2-3H,1H3,(H2,4,5,6);2*(H4,2,3,4)",C2H7O5P.2CH4N2O,,,,,,SGJWSVAWTJOFMR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.640,274-427-8,70210-31-0,Tetrasodium 8-[[4-[(4-amino-3-sulphonatophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate,tetrasodium 3-{[4-({4-[(4-amino-3-sulfonatophenyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}-7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1N)N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)NC(=O)c4ccccc4)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1N)N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)NC(=O)c4ccccc4)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O,"InChI=1/C43H30N8O14S4.4Na/c44-34-13-7-26(20-39(34)68(60,61)62)46-47-37-16-14-35(30-11-8-27(21-32(30)37)66(54,55)56)48-49-38-17-15-36(31-12-9-28(22-33(31)38)67(57,58)59)50-51-41-40(69(63,64)65)19-24-18-25(6-10-29(24)42(41)52)45-43(53)23-4-2-1-3-5-23;;;;/h1-22,52H,44H2,(H,45,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4",C43H30N8O14S4.4Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17003,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.640,HIEDOYRWOABXMI-UHFFFAOYSA-J,,,,,,,,,,,
100.077.002,284-733-3,84962-36-7,"5-oxo-DL-proline, compound with 2-aminoethanol (1:1)",5-oxo-L-proline - 2-aminoethanol (1:1),NCCO.OC(=O)[C@@H]1CCC(=O)N1,NCCO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C2H7NO/c7-4-2-1-3(6-4)5(8)9;3-1-2-4/h3H,1-2H2,(H,6,7)(H,8,9);4H,1-3H2",C5H7NO3.C2H7NO,,,,,,VLVJUQKAEMWMGP-DFWYDOINSA-N,,,,,,,,,,,
100.077.004,284-735-4,84962-38-9,"5-oxo-L-proline, compound with DL-alanine (1:1)",5-oxo-L-proline - L-alanine (1:1),C[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,C[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C3H7NO2/c7-4-2-1-3(6-4)5(8)9;1-2(4)3(5)6/h3H,1-2H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)",C5H7NO3.C3H7NO2,,,,,,BCTQVLPHKMWFQL-BHFSHLQUSA-N,,,,,,,,,,,
100.077.011,284-743-8,84962-46-9,"N,N,N',N',N'',N''-hexakis[[(2-octyldodecyl)oxy]methyl]-1,3,5-triazine-2,4,6-triamine","N,N,N',N',N'',N''-hexakis{[(2-octyldodecyl)oxy]methyl}-1,3,5-triazine-2,4,6-triamine",CCCCCCCCCCC(CCCCCCCC)COCN(COCC(CCCCCCCC)CCCCCCCCCC)c1nc(nc(n1)N(COCC(CCCCCCCC)CCCCCCCCCC)COCC(CCCCCCCC)CCCCCCCCCC)N(COCC(CCCCCCCC)CCCCCCCCCC)COCC(CCCCCCCC)CCCCCCCCCC,CCCCCCCCCCC(CCCCCCCC)COCN(COCC(CCCCCCCC)CCCCCCCCCC)c1nc(nc(n1)N(COCC(CCCCCCCC)CCCCCCCCCC)COCC(CCCCCCCC)CCCCCCCCCC)N(COCC(CCCCCCCC)CCCCCCCCCC)COCC(CCCCCCCC)CCCCCCCCCC,"InChI=1/C129H258N6O6/c1-13-25-37-49-61-67-79-91-103-121(97-85-73-55-43-31-19-7)109-136-115-133(116-137-110-122(98-86-74-56-44-32-20-8)104-92-80-68-62-50-38-26-14-2)127-130-128(134(117-138-111-123(99-87-75-57-45-33-21-9)105-93-81-69-63-51-39-27-15-3)118-139-112-124(100-88-76-58-46-34-22-10)106-94-82-70-64-52-40-28-16-4)132-129(131-127)135(119-140-113-125(101-89-77-59-47-35-23-11)107-95-83-71-65-53-41-29-17-5)120-141-114-126(102-90-78-60-48-36-24-12)108-96-84-72-66-54-42-30-18-6/h121-126H,13-120H2,1-12H3",C129H258N6O6,,,,,,UKZKHPHQNFOLOG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.012,284-744-3,84962-47-0,"Sodium 2-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridyl]azo]-5-nitrobenzenesulphonate","sodium 2-({5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methylpyridin-3-yl}diazenyl)-5-nitrobenzenesulfonate",[Na+].[O-][N+](=O)c2ccc(N=Nc1c(C)c(C#N)c(NCCCOC)nc1NCCCOC)c(c2)S([O-])(=O)=O,[Na+].[O-][N+](=O)c2ccc(N=Nc1c(C)c(C#N)c(NCCCOC)nc1NCCCOC)c(c2)S([O-])(=O)=O,"InChI=1/C21H27N7O7S.Na/c1-14-16(13-22)20(23-8-4-10-34-2)25-21(24-9-5-11-35-3)19(14)27-26-17-7-6-15(28(29)30)12-18(17)36(31,32)33;/h6-7,12H,4-5,8-11H2,1-3H3,(H2,23,24,25)(H,31,32,33);/q;+1/p-1",C21H27N7O7S.Na,,,,,,UPXRUNLIBXFYIL-UHFFFAOYSA-M,,,,,,,,,,,
100.071.947,279-166-3,79489-99-9,(1-methylpropyl)pentylmagnesium,sec-butyl(pentyl)magnesium,CCCCC[Mg]C(C)CC,CCCCC[Mg]C(C)CC,"InChI=1/C5H11.C4H9.Mg/c1-3-5-4-2;1-3-4-2;/h1,3-5H2,2H3;3H,4H2,1-2H3;/rC9H20Mg/c1-4-6-7-8-10-9(3)5-2/h9H,4-8H2,1-3H3",C9H20Mg,,,,,,NASRAQZLYUTOTB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.955,279-175-2,79524-20-2,4-(4-nitrophenyl)butan-1-ol,4-(4-nitrophenyl)butan-1-ol,OCCCCc1ccc(cc1)[N+](=O)[O-],OCCCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H13NO3/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h4-7,12H,1-3,8H2",C10H13NO3,,,,,,MFYJBAQONVFIFC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.960,279-181-5,79562-37-1,2-(2-methylbutyl)pyridine,2-(2-methylbutyl)pyridine,CCC(C)Cc1ccccn1,CCC(C)Cc1ccccn1,"InChI=1/C10H15N/c1-3-9(2)8-10-6-4-5-7-11-10/h4-7,9H,3,8H2,1-2H3",C10H15N,,,,,,DWJZUJQFGRPDRD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.961,279-182-0,79569-92-9,"Ethyl 2-cyano-3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acrylate","ethyl 2-cyano-3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acrylate",CCOC(=O)\\C(=C/C1C2CCC(C2)C1(C)C)\\C#N,CCOC(=O)\C(=C/C1C2CCC(C2)C1(C)C)\C#N,"InChI=1/C15H21NO2/c1-4-18-14(17)11(9-16)8-13-10-5-6-12(7-10)15(13,2)3/h8,10,12-13H,4-7H2,1-3H3",C15H21NO2,,,,,,CRJHOSYAIWNIDS-FLIBITNWSA-N,,,,,,,,,,,
100.071.964,279-185-7,79569-98-5,"Ethyl 2-cyano-3-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-yl)acrylate","ethyl 2-cyano-3-(4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl)acrylate",CCOC(=O)\\C(=C/C1C2CCC3C2C(C)(C)CCCC13C)\\C#N,CCOC(=O)\C(=C/C1C2CCC3C2C(C)(C)CCCC13C)\C#N,"InChI=1/C20H29NO2/c1-5-23-18(22)13(12-21)11-16-14-7-8-15-17(14)19(2,3)9-6-10-20(15,16)4/h11,14-17H,5-10H2,1-4H3",C20H29NO2,,,,,,SGFSBQMNAPYZAH-QBFSEMIESA-N,,,,,,,,,,,
100.071.965,279-186-2,79570-01-7,"2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acrylic acid","2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acrylic acid",CC1(C)C2CCC(\\C=C(\\C#N)/C(=O)O)C1C2,CC1(C)C2CCC(\C=C(\C#N)/C(=O)O)C1C2,"InChI=1/C13H17NO2/c1-13(2)10-4-3-8(11(13)6-10)5-9(7-14)12(15)16/h5,8,10-11H,3-4,6H2,1-2H3,(H,15,16)",C13H17NO2,,,,,,FVXWDDLIMBRDJT-UITAMQMPSA-N,,,,,,,,,,,
100.071.973,279-195-1,79606-06-7,4-heptylphenyl 4-heptylbenzoate,4-heptylphenyl 4-heptylbenzoate,CCCCCCCc1ccc(OC(=O)c2ccc(CCCCCCC)cc2)cc1,CCCCCCCc1ccc(OC(=O)c2ccc(CCCCCCC)cc2)cc1,"InChI=1/C27H38O2/c1-3-5-7-9-11-13-23-15-19-25(20-16-23)27(28)29-26-21-17-24(18-22-26)14-12-10-8-6-4-2/h15-22H,3-14H2,1-2H3",C27H38O2,,,,,,PWXQVCFBGSAERC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.976,279-198-8,79626-11-2,(3R-cis)-6-methoxy-4-[3-(3-vinyl-4-piperidyl)propyl]quinoline monohydrochloride,6-methoxy-4-[3-(3-vinylpiperidin-4-yl)propyl]quinoline hydrochloride,Cl.COc1ccc2nccc(CCCC3CCNCC3C=C)c2c1,Cl.COc1ccc2nccc(CCCC3CCNCC3C=C)c2c1,"InChI=1/C20H26N2O.ClH/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20;/h3,7-8,10,12-13,15-16,21H,1,4-6,9,11,14H2,2H3;1H",C20H26N2O.ClH,,,,,,OJIIPRUMBJECJG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.158,269-495-0,68258-72-0,"2,2-bis(hydroxymethyl)propane-1,3-diyl didocosanoate","2,2-bis(hydroxymethyl)propane-1,3-diyl didocosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C49H96O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(52)54-45-49(43-50,44-51)46-55-48(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-46H2,1-2H3",C49H96O6,Full,Individual,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17943,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.158,WIWNPEDDOAMGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.160,269-497-1,68258-91-3,Hexachlorocyclopentane,"1,1,2,2,3,3-hexachlorocyclopentane",ClC1(Cl)CCC(Cl)(Cl)C1(Cl)Cl,ClC1(Cl)CCC(Cl)(Cl)C1(Cl)Cl,"InChI=1/C5H4Cl6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H2",C5H4Cl6,,,,,,BFAFVKWDLHHCOW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.162,269-499-2,68258-95-7,"2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane","2,4-dimethyl-2-(4-methylpent-3-en-1-yl)-1,3-dioxolane",CC1COC(C)(CCC=C(C)C)O1,CC1COC(C)(CCC=C(C)C)O1,"InChI=1/C11H20O2/c1-9(2)6-5-7-11(4)12-8-10(3)13-11/h6,10H,5,7-8H2,1-4H3",C11H20O2,,,,,,WBZMYLUNPPFHTA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.164,269-501-1,68258-98-0,"Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]","octyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C8H19O4P.C4H11NO2/c1-2-3-4-5-6-7-8-12-13(9,10)11;6-3-1-5-2-4-7/h2-8H2,1H3,(H2,9,10,11);5-7H,1-4H2",-,,,,,,ITSXQPHPQLBAHV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.174,269-512-1,68259-09-6,"Ammonium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonate","ammonium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate",[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5HF11O3S.H3N/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;/h(H,17,18,19);1H3",C5HF11O3S.H3N,,,,,,ISAHTOZXSKELHT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.175,269-513-7,68259-10-9,"Ammonium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate","ammonium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C4HF9O3S.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);1H3",C4HF9O3S.H3N,,,,,,SQTGBVURPMTXBT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.179,269-517-9,68259-16-5,Calcium a-ethyl-1-hydroxycyclohexaneacetate (1:2),calcium bis[2-(1-hydroxycyclohexyl)butanoate],[CaH2].CCC(C(=O)[O-])C1(O)CCCCC1.CCC(C(=O)[O-])C2(O)CCCCC2,[CaH2].CCC(C(=O)[O-])C1(O)CCCCC1.CCC(C(=O)[O-])C2(O)CCCCC2,"InChI=1/2C10H18O3.Ca.2H/c2*1-2-8(9(11)12)10(13)6-4-3-5-7-10;;;/h2*8,13H,2-7H2,1H3,(H,11,12);;;/q;;+2;;/p-2/r2C10H18O3.CaH2/c2*1-2-8(9(11)12)10(13)6-4-3-5-7-10;/h2*8,13H,2-7H2,1H3,(H,11,12);1H2/q;;+2/p-2",C10H18O3.1/2Ca,,,,,,UXKCGBUNYPPDMW-UHFFFAOYSA-L,,,,,,,,,,,
100.063.182,269-521-0,68259-19-8,Iron tris[p-chlorobenzenesulphonate],iron(3+) tris(4-chlorobenzenesulfonate),[Fe+3].[O-]S(=O)(=O)C1=CC=C(Cl)C=C1.[O-]S(=O)(=O)C2=CC=C(Cl)C=C2.[O-]S(=O)(=O)C3=CC=C(Cl)C=C3,[Fe+3].[O-]S(=O)(=O)C1=CC=C(Cl)C=C1.[O-]S(=O)(=O)C2=CC=C(Cl)C=C2.[O-]S(=O)(=O)C3=CC=C(Cl)C=C3,"InChI=1/3C6H5ClO3S.Fe/c3*7-5-1-3-6(4-2-5)11(8,9)10;/h3*1-4H,(H,8,9,10);/q;;;+3/p-3",C6H5ClO3S.1/3Fe,,,,,,PRJPIUKZPYHOGP-UHFFFAOYSA-K,,,,,,,,,,,
100.074.116,281-553-7,83968-72-3,"Tetrasodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bis[5-hydroxy-6-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate]","tetrasodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)didiazene-2,1-diyl]bis{5-hydroxy-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate}",[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(O)c7c(cc2S([O-])(=O)=O)cc(cc7N=Nc6cc(N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(O)c7c(cc2S([O-])(=O)=O)cc(cc7N=Nc6cc(N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc6O)S([O-])(=O)=O,"InChI=1/C38H24N10O20S4.4Na/c49-29-16-30(50)26(42-44-28-14-24(70(60,61)62)10-18-12-32(72(66,67)68)36(38(52)34(18)28)46-40-20-3-7-22(8-4-20)48(55)56)15-25(29)41-43-27-13-23(69(57,58)59)9-17-11-31(71(63,64)65)35(37(51)33(17)27)45-39-19-1-5-21(6-2-19)47(53)54;;;;/h1-16,49-52H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C38H24N10O20S4.4Na,,,,,,CXWDTRDOHZVEBU-UHFFFAOYSA-J,,,,,,,,,,,
100.074.119,281-556-3,83968-77-8,"1-amino-4-[[(dimethylamino)methyl]anilino]anthraquinone, compound with sulphuric acid (2:1)","1-amino-4-({2-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone sulfate (2:1)",CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23.CN(C)Cc5ccccc5Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67.OS(=O)(=O)O,CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23.CN(C)Cc5ccccc5Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67.OS(=O)(=O)O,"InChI=1/2C23H21N3O2.H2O4S/c2*1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27;1-5(2,3)4/h2*3-12,25H,13,24H2,1-2H3;(H2,1,2,3,4)",C23H21N3O2.1/2H2O4S,,,,,,BWXFOLQQRJFPRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.758,283-361-9,84604-78-4,Hexyl 4-(dimethylamino)benzoate,hexyl 4-(dimethylamino)benzoate,CCCCCCOC(=O)c1ccc(cc1)N(C)C,CCCCCCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C15H23NO2/c1-4-5-6-7-12-18-15(17)13-8-10-14(11-9-13)16(2)3/h8-11H,4-7,12H2,1-3H3",C15H23NO2,,,,,,VUCSJYLUTKBDEM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.760,283-364-5,84604-80-8,4-methylpentyl 4-(dimethylamino)benzoate,4-methylpentyl 4-(dimethylamino)benzoate,CC(C)CCCOC(=O)c1ccc(cc1)N(C)C,CC(C)CCCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C15H23NO2/c1-12(2)6-5-11-18-15(17)13-7-9-14(10-8-13)16(3)4/h7-10,12H,5-6,11H2,1-4H3",C15H23NO2,,,,,,UXQNDGIUVXGSEK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.765,283-369-2,84604-85-3,4-bromo-2-(4-nitrophenoxy)phenol,4-bromo-2-(4-nitrophenoxy)phenol,Oc1ccc(Br)cc1Oc2ccc(cc2)[N+](=O)[O-],Oc1ccc(Br)cc1Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C12H8BrNO4/c13-8-1-6-11(15)12(7-8)18-10-4-2-9(3-5-10)14(16)17/h1-7,15H",C12H8BrNO4,,,,,,YMBWRALKQKZRIV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.097,284-837-9,84963-35-9,(hydroxymethyl)guanidinium phosphate,tris[amino-N-(hydroxymethyl)iminomethanaminium] phosphate,NC(=N)[NH2+]CO.NC(=N)[NH2+]CO.NC(=N)[NH2+]CO.[O-]P(=O)([O-])[O-],NC(=N)[NH2+]CO.NC(=N)[NH2+]CO.NC(=N)[NH2+]CO.[O-]P(=O)([O-])[O-],"InChI=1/3C2H7N3O.H3O4P/c3*3-2(4)5-1-6;1-5(2,3)4/h3*6H,1H2,(H4,3,4,5);(H3,1,2,3,4)",C2H7N3O.H3O4P,,,,,,GLLSFOIMHLPKMO-UHFFFAOYSA-N,,,,,,,,,,,
100.073.707,281-102-4,83863-40-5,4-phenyl-1-(p-tolylsulphonyl)piperidin-4-ol,1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidin-4-ol,Cc1ccc(cc1)S(=O)(=O)N2CCC(O)(CC2)c3ccccc3,Cc1ccc(cc1)S(=O)(=O)N2CCC(O)(CC2)c3ccccc3,"InChI=1/C18H21NO3S/c1-15-7-9-17(10-8-15)23(21,22)19-13-11-18(20,12-14-19)16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3",C18H21NO3S,,,,,,HXIDISDSNWNESD-UHFFFAOYSA-N,,,,,,,,,,,
100.073.712,281-108-7,83863-45-0,"Ethyl 3-(hydroxymethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate","ethyl 3-(hydroxymethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate",CCOC(=O)N1CCC2(CC1)N(CN(CO)C2=O)c3ccccc3,CCOC(=O)N1CCC2(CC1)N(CN(CO)C2=O)c3ccccc3,"InChI=1/C17H23N3O4/c1-2-24-16(23)18-10-8-17(9-11-18)15(22)19(13-21)12-20(17)14-6-4-3-5-7-14/h3-7,21H,2,8-13H2,1H3",C17H23N3O4,,,,,,GNRUADBGDJQTSK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.713,281-109-2,83863-46-1,1-[[4-(m-tolyl)-4-piperidyl]carbonyl]pyrrolidine,4-(3-methylphenyl)-4-(pyrrolidin-1-ylcarbonyl)piperidine,Cc1cccc(c1)C2(CCNCC2)C(=O)N3CCCC3,Cc1cccc(c1)C2(CCNCC2)C(=O)N3CCCC3,"InChI=1/C17H24N2O/c1-14-5-4-6-15(13-14)17(7-9-18-10-8-17)16(20)19-11-2-3-12-19/h4-6,13,18H,2-3,7-12H2,1H3",C17H24N2O,,,,,,IXSJBJNKASGMLL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.722,281-119-7,83863-55-2,"[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]dimethoxymethylsilane","{[(1,5-dimethyl-1-vinylhex-4-en-1-yl)oxy](dimethoxy)methyl}silane",COC([SiH3])(OC)OC(C)(CCC=C(C)C)C=C,COC([SiH3])(OC)OC(C)(CCC=C(C)C)C=C,"InChI=1/C13H26O3Si/c1-7-12(4,10-8-9-11(2)3)16-13(17,14-5)15-6/h7,9H,1,8,10H2,2-6,17H3",C13H26O3Si,,,,,,VIJINHQHHKZEDI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.590,283-175-8,84559-89-7,"Disodium 5-(benzoylamino)-3-[[3-[4-(tert-butyl)phenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 5-(benzoylamino)-3-{[3-(4-tert-butylphenoxy)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4cccc(Oc3ccc(cc3)C(C)(C)C)c4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4cccc(Oc3ccc(cc3)C(C)(C)C)c4)S([O-])(=O)=O,"InChI=1/C33H29N3O9S2.2Na/c1-33(2,3)22-12-14-24(15-13-22)45-25-11-7-10-23(18-25)35-36-30-28(47(42,43)44)17-21-16-26(46(39,40)41)19-27(29(21)31(30)37)34-32(38)20-8-5-4-6-9-20;;/h4-19,37H,1-3H3,(H,34,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C33H29N3O9S2.2Na,,,,,,CJYQTRVFBDJIDD-UHFFFAOYSA-L,,,,,,,,,,,
100.075.591,283-176-3,84559-90-0,"Sodium p-[[4-amino-3-(dodecyloxy)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]benzenesulphonate","sodium 4-{[4-amino-3-(dodecyloxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}benzenesulfonate",[Na+].CCCCCCCCCCCCOc1cc(Nc2ccc(cc2)S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c3c1N,[Na+].CCCCCCCCCCCCOc1cc(Nc2ccc(cc2)S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C32H38N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-13-20-40-27-21-26(34-22-16-18-23(19-17-22)41(37,38)39)28-29(30(27)33)32(36)25-15-12-11-14-24(25)31(28)35;/h11-12,14-19,21,34H,2-10,13,20,33H2,1H3,(H,37,38,39);/q;+1/p-1",C32H38N2O6S.Na,,,,,,LBLCRHNUPQYRIE-UHFFFAOYSA-M,,,,,,,,,,,
100.075.601,283-187-3,84560-00-9,2-pentylcyclopentan-1-ol,2-pentylcyclopentanol,CCCCCC1CCCC1O,CCCCCC1CCCC1O,"InChI=1/C10H20O/c1-2-3-4-6-9-7-5-8-10(9)11/h9-11H,2-8H2,1H3",C10H20O,,,,,,MWYGSCHWFNRSET-UHFFFAOYSA-N,,,,,,,,,,,
100.075.606,283-193-6,84560-05-4,2-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-3-methylphenyl]ethylamino]ethanol,2-[(4-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}-3-methylphenyl)(ethyl)amino]ethanol,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CCO)S(C)(=O)=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CCO)S(C)(=O)=O,"InChI=1/C18H22ClN3O3S/c1-4-22(9-10-23)14-5-7-17(13(2)11-14)20-21-18-8-6-15(12-16(18)19)26(3,24)25/h5-8,11-12,23H,4,9-10H2,1-3H3",C18H22ClN3O3S,,,,,,JSZKAMXXRVTMSN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.611,283-198-3,84560-10-1,"Tetrasodium 5-(acetamido)-3-[[4-[[4-[[8-(acetamido)-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","tetrasodium 5-acetamido-3-{[4-({4-[(8-acetamido-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc3ccc(N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)c(C)cc6N=Nc5c(cc4cc(cc(NC(C)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc3ccc(N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)c(C)cc6N=Nc5c(cc4cc(cc(NC(C)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C38H32N8O17S4.4Na/c1-17-9-27(44-46-36-32(67(60,61)62)13-21-11-25(65(54,55)56)15-29(40-19(3)48)34(21)38(36)50)30(63-4)16-26(17)43-41-22-5-7-23(8-6-22)42-45-35-31(66(57,58)59)12-20-10-24(64(51,52)53)14-28(39-18(2)47)33(20)37(35)49;;;;/h5-16,49-50H,1-4H3,(H,39,47)(H,40,48)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C38H32N8O17S4.4Na,,,,,,JQWSULBBHWHBEU-UHFFFAOYSA-J,,,,,,,,,,,
100.067.644,274-432-5,70210-35-4,"Tetrasodium 7-amino-3-[[2,5-dimethoxy-4-[[7-sulphonato-4-[(2-sulphonatophenyl)azo]naphthyl]azo]phenyl]azo]-4-hydroxy-8-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate","tetrasodium 7-amino-3-{[2,5-dimethoxy-4-({7-sulfonato-4-[(2-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)phenyl]diazenyl}-4-hydroxy-8-[(3-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].[Na+].COc7cc(N=Nc3ccc(N=Nc1ccccc1S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4cccc(c4)S([O-])(=O)=O)c(N)ccc5c6O)S([O-])(=O)=O)OC,[Na+].[Na+].[Na+].[Na+].COc7cc(N=Nc3ccc(N=Nc1ccccc1S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4cccc(c4)S([O-])(=O)=O)c(N)ccc5c6O)S([O-])(=O)=O)OC,"InChI=1/C40H31N9O15S4.4Na/c1-63-34-20-33(47-49-39-37(68(60,61)62)18-27-25(40(39)50)12-13-28(41)38(27)48-42-21-6-5-7-22(16-21)65(51,52)53)35(64-2)19-32(34)46-44-30-15-14-29(24-11-10-23(17-26(24)30)66(54,55)56)43-45-31-8-3-4-9-36(31)67(57,58)59;;;;/h3-20,50H,41H2,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C40H31N9O15S4.4Na,,,,,,VANHCERBGHKXCW-UHFFFAOYSA-J,,,,,,,,,,,
100.067.645,274-433-0,70210-36-5,"Disodium 7,7'-[azobis(4,1-phenylenecarbonylimino)]bis[4-hydroxy-3-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]naphthalene-2-sulphonate]","disodium 7,7'-[diazene-1,2-diylbis(4,1-phenylenecarbonylimino)]bis(4-hydroxy-3-{[2-hydroxy-5-(methylsulfonyl)phenyl]diazenyl}naphthalene-2-sulfonate)",[Na+].[Na+].CS(=O)(=O)c8cc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)c3ccc(cc3)N=Nc4ccc(cc4)C(=O)Nc6cc7cc(c(N=Nc5cc(ccc5O)S(C)(=O)=O)c(O)c7cc6)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc8,[Na+].[Na+].CS(=O)(=O)c8cc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)c3ccc(cc3)N=Nc4ccc(cc4)C(=O)Nc6cc7cc(c(N=Nc5cc(ccc5O)S(C)(=O)=O)c(O)c7cc6)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc8,"InChI=1/C48H36N8O16S4.2Na/c1-73(63,64)33-13-17-39(57)37(23-33)53-55-43-41(75(67,68)69)21-27-19-31(11-15-35(27)45(43)59)49-47(61)25-3-7-29(8-4-25)51-52-30-9-5-26(6-10-30)48(62)50-32-12-16-36-28(20-32)22-42(76(70,71)72)44(46(36)60)56-54-38-24-34(74(2,65)66)14-18-40(38)58;;/h3-24,57-60H,1-2H3,(H,49,61)(H,50,62)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2",C48H36N8O16S4.2Na,,,,,,QCVPKTQGWIBKJI-UHFFFAOYSA-L,,,,,,,,,,,
100.067.650,274-438-8,70210-41-2,Disodium 6-amino-5-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]naphthalene-2-sulphonate,disodium 6-amino-5-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].BrC(=C)C(=O)Nc3cc(N=Nc1c2ccc(cc2ccc1N)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,[Na+].[Na+].BrC(=C)C(=O)Nc3cc(N=Nc1c2ccc(cc2ccc1N)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,"InChI=1/C19H15BrN4O7S2.2Na/c1-10(20)19(25)22-12-3-7-17(33(29,30)31)16(9-12)23-24-18-14-5-4-13(32(26,27)28)8-11(14)2-6-15(18)21;;/h2-9H,1,21H2,(H,22,25)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C19H15BrN4O7S2.2Na,,,,,,GGPXXBHMAMKMMH-UHFFFAOYSA-L,,,,,,,,,,,
100.067.652,274-440-9,70210-43-4,"Trisodium 7-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-[{4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc2nc(Nc1ccc(cc1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccccc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc2nc(Nc1ccc(cc1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccccc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C26H20ClN7O10S3.3Na/c1-34(26-30-24(27)29-25(31-26)28-15-6-9-17(10-7-15)45(36,37)38)16-8-11-18-14(12-16)13-21(47(42,43)44)22(23(18)35)33-32-19-4-2-3-5-20(19)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3",C26H20ClN7O10S3.3Na,,,,,,MWHRVUBZKLHQSM-UHFFFAOYSA-K,,,,,,,,,,,
100.067.657,274-446-1,70214-76-5,"6,8-dimethylnona-3,5-dien-2-one","6,8-dimethylnona-3,5-dien-2-one",CC(C)CC(C)=CC=CC(C)=O,CC(C)CC(C)=CC=CC(C)=O,"InChI=1/C11H18O/c1-9(2)8-10(3)6-5-7-11(4)12/h5-7,9H,8H2,1-4H3",C11H18O,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10640,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.657,UEHONTCNOHEQEF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.658,274-447-7,70214-77-6,"6,8-dimethylnonan-2-ol","6,8-dimethylnonan-2-ol",CC(C)CC(C)CCCC(C)O,CC(C)CC(C)CCCC(C)O,"InChI=1/C11H24O/c1-9(2)8-10(3)6-5-7-11(4)12/h9-12H,5-8H2,1-4H3",C11H24O,,,,,,HDQVGGOVPFQTRB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.777,275-678-6,71607-37-9,Butyl(2-ethylhexyl)dimethylammonium chloride,"N-butyl-2-ethyl-N,N-dimethylhexan-1-aminium chloride",[Cl-].CCCCC(CC)C[N+](C)(C)CCCC,[Cl-].CCCCC(CC)C[N+](C)(C)CCCC,"InChI=1/C14H32N.ClH/c1-6-9-11-14(8-3)13-15(4,5)12-10-7-2;/h14H,6-13H2,1-5H3;1H/q+1;/p-1",C14H32N.Cl,,,,,,OHLBKHXFHVSHND-UHFFFAOYSA-M,,,,,,,,,,,
100.068.779,275-680-7,71607-39-1,3-[(ethylthio)methyl]heptane,3-[(ethylsulfanyl)methyl]heptane,CCCCC(CC)CSCC,CCCCC(CC)CSCC,"InChI=1/C10H22S/c1-4-7-8-10(5-2)9-11-6-3/h10H,4-9H2,1-3H3",C10H22S,,,,,,DFXBBTTUNWKCBF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.782,275-683-3,71607-42-6,"5-[(2,4-dinitrophenyl)amino]-2-hydroxybenzenesulphonic acid","5-[(2,4-dinitrophenyl)amino]-2-hydroxybenzenesulfonic acid",Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1S(=O)(=O)O,Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1S(=O)(=O)O,"InChI=1/C12H9N3O8S/c16-11-4-1-7(5-12(11)24(21,22)23)13-9-3-2-8(14(17)18)6-10(9)15(19)20/h1-6,13,16H,(H,21,22,23)",C12H9N3O8S,,,,,,CQTYKXPSTQLSOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.784,275-685-4,71607-44-8,"Octanoic acid, compound with dioctylamine (1:1)",octanoic acid - N-octyloctan-1-amine (1:1),CCCCCCCCNCCCCCCCC.CCCCCCCC(=O)O,CCCCCCCCNCCCCCCCC.CCCCCCCC(=O)O,"InChI=1/C16H35N.C8H16O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8(9)10/h17H,3-16H2,1-2H3;2-7H2,1H3,(H,9,10)",C16H35N.C8H16O2,,,,,,JKROAZBIHMOTBS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.799,275-703-0,71617-11-3,"1,5-dimethyl-1-vinylhex-4-enyl heptanoate","1,5-dimethyl-1-vinylhex-4-en-1-yl heptanoate",CCCCCCC(=O)OC(C)(CCC=C(C)C)C=C,CCCCCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1/C17H30O2/c1-6-8-9-10-13-16(18)19-17(5,7-2)14-11-12-15(3)4/h7,12H,2,6,8-11,13-14H2,1,3-5H3",C17H30O2,,,,,,APBQXTVQNYJPRE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.805,275-709-3,71617-17-9,"1,1-bis(allyloxy)octane","1,1-bis(allyloxy)octane",CCCCCCCC(OCC=C)OCC=C,CCCCCCCC(OCC=C)OCC=C,"InChI=1/C14H26O2/c1-4-7-8-9-10-11-14(15-12-5-2)16-13-6-3/h5-6,14H,2-4,7-13H2,1H3",C14H26O2,,,,,,GPLKLPLXSJSSJE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.979,279-201-2,79637-86-8,"4-(benzoylamino)-2,5-dibutoxybenzenediazonium hexafluorophosphate","4-(benzoylamino)-2,5-dibutoxybenzenediazonium hexafluorophosphate",CCCCOc1cc([N+]#N)c(OCCCC)cc1NC(=O)c2ccccc2.F[P-](F)(F)(F)(F)F,CCCCOc1cc([N+]#N)c(OCCCC)cc1NC(=O)c2ccccc2.F[P-](F)(F)(F)(F)F,"InChI=1/C21H25N3O3.F6P/c1-3-5-12-26-19-15-18(24-22)20(27-13-6-4-2)14-17(19)23-21(25)16-10-8-7-9-11-16;1-7(2,3,4,5)6/h7-11,14-15H,3-6,12-13H2,1-2H3;/q;-1/p+1",C21H26N3O3.F6P,,,,,,QEQVNLOQDUJAAE-UHFFFAOYSA-O,,,,,,,,,,,
100.073.830,281-237-9,83898-29-7,"Hexahydro-a,a-diphenyl-1H-azepine-1-butyronitrile","4-azepan-1-yl-2,2-diphenylbutanenitrile",N#CC(CCN1CCCCCC1)(c2ccccc2)c3ccccc3,N#CC(CCN1CCCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C22H26N2/c23-19-22(20-11-5-3-6-12-20,21-13-7-4-8-14-21)15-18-24-16-9-1-2-10-17-24/h3-8,11-14H,1-2,9-10,15-18H2",C22H26N2,,,,,,UMKKQZRFTGQLJE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.832,281-240-5,83898-31-1,Ethyl [[4-phenyl-1-(phenylmethyl)-4-piperidyl]methyl]carbamate,ethyl [(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate,CCOC(=O)NCC1(CCN(Cc2ccccc2)CC1)c3ccccc3,CCOC(=O)NCC1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C22H28N2O2/c1-2-26-21(25)23-18-22(20-11-7-4-8-12-20)13-15-24(16-14-22)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,23,25)",C22H28N2O2,,,,,,DDOMFXWZSMHVEA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.834,281-242-6,83898-33-3,Benzyl 3-methyl-4-phenylpiperidine-4-carboxylate hydrochloride,benzyl 3-methyl-4-phenylpiperidine-4-carboxylate hydrochloride,Cl.CC1CNCCC1(C(=O)OCc2ccccc2)c3ccccc3,Cl.CC1CNCCC1(C(=O)OCc2ccccc2)c3ccccc3,"InChI=1/C20H23NO2.ClH/c1-16-14-21-13-12-20(16,18-10-6-3-7-11-18)19(22)23-15-17-8-4-2-5-9-17;/h2-11,16,21H,12-15H2,1H3;1H",C20H23NO2.ClH,,,,,,AGWBHEMNPRTIEH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.837,281-245-2,83898-36-6,"1-[4,4-bis(4-fluorophenyl)butyl]piperazinediylium dinitrate","1-[4,4-bis(4-fluorophenyl)butyl]piperazinediium dinitrate",[O-][N+](=O)[O-].[O-][N+](=O)[O-].Fc1ccc(cc1)C(CCC[NH+]2CC[NH2+]CC2)c3ccc(F)cc3,[O-][N+](=O)[O-].[O-][N+](=O)[O-].Fc1ccc(cc1)C(CCC[NH+]2CC[NH2+]CC2)c3ccc(F)cc3,"InChI=1/C20H24F2N2.2NO3/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24;2*2-1(3)4/h3-10,20,23H,1-2,11-15H2;;/q;2*-1/p+2",C20H24F2N2.2HNO3,,,,,,RVZCTXCGRDNGLE-UHFFFAOYSA-P,,,,,,,,,,,
100.073.841,281-249-4,83898-40-2,"1-[3-[(aminocarbonyl)oxy]propyl]-5-chloro-1,3-dihydro-2H-benzimidazole-2-one","3-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl carbamate",NC(=O)OCCCN1C(=O)Nc2cc(Cl)ccc12,NC(=O)OCCCN1C(=O)Nc2cc(Cl)ccc12,"InChI=1/C11H12ClN3O3/c12-7-2-3-9-8(6-7)14-11(17)15(9)4-1-5-18-10(13)16/h2-3,6H,1,4-5H2,(H2,13,16)(H,14,17)",C11H12ClN3O3,,,,,,YTVJAXFMGJKLOV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.849,281-258-3,83898-48-0,"Tetradecyl 5-octyl-9-oxo-5-[[3-oxo-3-(tetradecyloxy)propyl]thio]-10-oxa-4,6-dithia-5-stannatetracosanoate","tetradecyl 5-octyl-9-oxo-5-{[3-oxo-3-(tetradecyloxy)propyl]sulfanyl}-10-oxa-4,6-dithia-5-stannatetracosan-1-oate",CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(SCCC(=O)OCCCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(SCCC(=O)OCCCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/3C17H34O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;1-3-5-7-8-6-4-2;/h3*20H,2-16H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC59H116O6S3Sn/c1-5-9-13-17-21-24-27-30-33-36-39-43-50-63-57(60)47-53-66-69(56-46-42-20-16-12-8-4,67-54-48-58(61)64-51-44-40-37-34-31-28-25-22-18-14-10-6-2)68-55-49-59(62)65-52-45-41-38-35-32-29-26-23-19-15-11-7-3/h5-56H2,1-4H3",C59H116O6S3Sn,,,,,,LTHSRDDUDNZMNL-UHFFFAOYSA-K,,,,,,,,,,,
100.073.851,281-260-4,83898-50-4,"Tetradecyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosanoate","tetradecyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosan-1-oate",CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/2C17H34O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*20H,2-16H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC58H116O4S2Sn/c1-5-9-13-17-21-25-29-31-33-37-41-45-51-61-57(59)49-53-63-65(55-47-43-39-35-27-23-19-15-11-7-3,56-48-44-40-36-28-24-20-16-12-8-4)64-54-50-58(60)62-52-46-42-38-34-32-30-26-22-18-14-10-6-2/h5-56H2,1-4H3",C58H116O4S2Sn,,,,,,JFZFODCALWMGBK-UHFFFAOYSA-L,,,,,,,,,,,
100.073.855,281-265-1,83898-54-8,"Decyl (all-Z)-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-6-octyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate","decyl 6-{[4-(decyloxy)-4-oxobut-2-enoyl]oxy}-6-octyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dien-1-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCCCCCC)\\C=C/C(=O)OCCCCCCCCCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCCCCCC)\C=C/C(=O)OCCCCCCCCCC,"InChI=1/3C14H24O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-5-7-8-6-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-8H2,2H3;/q;;;;+3/p-3/rC50H86O12Sn/c1-5-9-13-17-21-24-27-31-41-57-45(51)35-38-48(54)60-63(44-34-30-20-16-12-8-4,61-49(55)39-36-46(52)58-42-32-28-25-22-18-14-10-6-2)62-50(56)40-37-47(53)59-43-33-29-26-23-19-15-11-7-3/h35-40H,5-34,41-44H2,1-4H3",C50H86O12Sn,,,,,,WYCQKSNEDKVREM-YFQJWWFYSA-K,,,,,,,,,,,
100.075.777,283-382-3,84604-97-7,2-[4-(isopropyl)phenyl]cyclohexan-1-one,2-(4-isopropylphenyl)cyclohexanone,CC(C)c1ccc(cc1)C2CCCCC2=O,CC(C)c1ccc(cc1)C2CCCCC2=O,"InChI=1/C15H20O/c1-11(2)12-7-9-13(10-8-12)14-5-3-4-6-15(14)16/h7-11,14H,3-6H2,1-2H3",C15H20O,,,,,,ALUSOLIOHPWGNL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.783,283-389-1,84605-12-9,Docos-13-enyl docos-13-enoate,docos-13-en-1-yl docos-13-enoate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC=CCCCCCCCC,"InChI=1/C44H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3",C44H84O2,,,,,,BZUVPTAFNJMPEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.671,284-369-5,84852-55-1,"N-allyl-N-(2,3-dibromopropyl)-1,3,5-triazine-2,4,6-triamine","N~2~-allyl-N~2~-(2,3-dibromopropyl)-1,3,5-triazine-2,4,6-triamine",Nc1nc(N)nc(n1)N(CC=C)CC(Br)CBr,Nc1nc(N)nc(n1)N(CC=C)CC(Br)CBr,"InChI=1/C9H14Br2N6/c1-2-3-17(5-6(11)4-10)9-15-7(12)14-8(13)16-9/h2,6H,1,3-5H2,(H4,12,13,14,15,16)",C9H14Br2N6,,,,,,ONVVCKJTEPAXOV-UHFFFAOYSA-N,,,,,,,,,,,
100.076.678,284-376-3,84864-54-0,2-[(butylthioxostannyl)thio]ethanol,2-{[butyl(thioxo)stannyl]sulfanyl}ethanol,CCCC[Sn](=S)SCCO,CCCC[Sn](=S)SCCO,"InChI=1/C4H9.C2H6OS.S.Sn/c1-3-4-2;3-1-2-4;;/h1,3-4H2,2H3;3-4H,1-2H2;;/q;;;+1/p-1/rC6H14OS2Sn/c1-2-3-6-10(8)9-5-4-7/h7H,2-6H2,1H3",C6H14OS2Sn,,,,,,QOKSKFRCALBLJC-UHFFFAOYSA-M,,,,,,,,,,,
100.076.680,284-378-4,84864-56-2,Calcium bis[methylsulphamate],calcium bis(methylsulfamate),[Ca+2].CNS(=O)(=O)[O-].CNS(=O)(=O)[O-],[Ca+2].CNS(=O)(=O)[O-].CNS(=O)(=O)[O-],"InChI=1/2CH5NO3S.Ca/c2*1-2-6(3,4)5;/h2*2H,1H3,(H,3,4,5);/q;;+2/p-2",CH5NO3S.1/2Ca,,,,,,SJUTYUDYGXHTKT-UHFFFAOYSA-L,,,,,,,,,,,
100.076.684,284-383-1,84864-60-8,Dipotassium D-glucarate,"dipotassium 2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)",[K+].[K+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],[K+].[K+].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-],"InChI=1/C6H10O8.2K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h1-4,7-10H,(H,11,12)(H,13,14);;/q;2*+1/p-2",C6H10O8.2K,,,,,,ZCTRSOMMTLXYCN-SDFKWCIISA-L,,,,,,,,,,,
100.076.685,284-384-7,84864-61-9,Potassium phenylglycolate,potassium hydroxy(phenyl)acetate,[K+].OC(C(=O)[O-])c1ccccc1,[K+].OC(C(=O)[O-])c1ccccc1,"InChI=1/C8H8O3.K/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);/q;+1/p-1",C8H8O3.K,,,,,,UXIPJZUVTLMZBG-UHFFFAOYSA-M,,,,,,,,,,,
100.076.686,284-385-2,84864-62-0,3-hydroxy-2-methoxybenzyl alcohol,3-(hydroxymethyl)-2-methoxyphenol,COc1c(O)cccc1CO,COc1c(O)cccc1CO,"InChI=1/C8H10O3/c1-11-8-6(5-9)3-2-4-7(8)10/h2-4,9-10H,5H2,1H3",C8H10O3,,,,,,ZJXAUXOXMRUTTF-UHFFFAOYSA-N,,,,,,,,,,,
100.076.691,284-391-5,84864-67-5,1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate,"3'-hexadecyl 1,2-dioctadec-9-en-1-yl 2'-octadecyl 1',3-propane-1,2-diyl bis(2-hydroxypropane-1,2,3-tricarboxylate)",CCCCCCCCC=CCCCCCCCCOC(=O)C(O)(CC(=O)OCCCCCCCCC=CCCCCCCCC)CC(=O)OCC(C)OC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCC=CCCCCCCCCOC(=O)C(O)(CC(=O)OCCCCCCCCC=CCCCCCCCC)CC(=O)OCC(C)OC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C85H156O14/c1-6-10-14-18-22-26-30-34-38-41-45-49-53-56-60-64-68-94-78(86)72-84(92,82(90)96-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-2)74-80(88)98-76-77(5)99-81(89)75-85(93,73-79(87)95-69-65-61-57-52-48-44-37-33-29-25-21-17-13-9-4)83(91)97-71-67-63-59-55-51-47-43-40-36-32-28-24-20-16-12-8-3/h34-35,38-39,77,92-93H,6-33,36-37,40-76H2,1-5H3",C85H156O14,,,,,,WETHZCNELWLBAS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.503,277-576-7,73727-25-0,2-[2-(3-methylphenoxy)ethoxy]ethanol,2-[2-(3-methylphenoxy)ethoxy]ethanol,Cc1cccc(OCCOCCO)c1,Cc1cccc(OCCOCCO)c1,"InChI=1/C11H16O3/c1-10-3-2-4-11(9-10)14-8-7-13-6-5-12/h2-4,9,12H,5-8H2,1H3",C11H16O3,,,,,,FQZYXSHXSFLYAS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.509,277-583-5,73747-53-2,1-(1-oxopropyl)-1H-indole,1-propionyl-1H-indole,CCC(=O)n1ccc2ccccc12,CCC(=O)n1ccc2ccccc12,"InChI=1/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3",C11H11NO,,,,,,XBYKGSPCVQTMGF-UHFFFAOYSA-N,,,,,,,,,,,
100.070.517,277-591-9,73771-62-7,Potassium 2-(aminothioxomethyl)dithiocarbazate,potassium 1-carbamothioylhydrazinecarbodithioate,[K+].NN(C(=S)N)C(=S)[S-],[K+].NN(C(=S)N)C(=S)[S-],"InChI=1/C2H5N3S3.K/c3-1(6)5(4)2(7)8;/h4H2,(H2,3,6)(H,7,8);/q;+1/p-1",C2H5N3S3.K,,,,,,ZCBXCLKLKPMKBR-UHFFFAOYSA-M,,,,,,,,,,,
100.070.521,277-596-6,73772-42-6,N-[2-[(1-oxododecyl)amino]ethyl]glycine,N-[2-(dodecanoylamino)ethyl]glycine,CCCCCCCCCCCC(=O)NCCNCC(=O)O,CCCCCCCCCCCC(=O)NCCNCC(=O)O,"InChI=1/C16H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-13-12-17-14-16(20)21/h17H,2-14H2,1H3,(H,18,19)(H,20,21)",C16H32N2O3,,,,,,VOSXYJCXYDUALE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.614,283-201-8,84560-13-4,"N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxoanthryl)propionamide","N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)propanamide",CCC(=O)Nc1cc(OC)c(N)c2C(=O)c3ccccc3C(=O)c12,CCC(=O)Nc1cc(OC)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H16N2O4/c1-3-13(21)20-11-8-12(24-2)16(19)15-14(11)17(22)9-6-4-5-7-10(9)18(15)23/h4-8H,3,19H2,1-2H3,(H,20,21)",C18H16N2O4,,,,,,NLMCPTOHHZNHMB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.848,279-057-0,79093-71-3,Ammonium 2-hydroxy-4-methylbenzenesulphonate,ammonium 2-hydroxy-4-methylbenzenesulfonate,[NH4+].Cc1ccc(c(O)c1)S(=O)(=O)[O-],[NH4+].Cc1ccc(c(O)c1)S(=O)(=O)[O-],"InChI=1/C7H8O4S.H3N/c1-5-2-3-7(6(8)4-5)12(9,10)11;/h2-4,8H,1H3,(H,9,10,11);1H3",C7H8O4S.H3N,,,,,,KGBVTRPJPQHXSU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.852,279-061-2,79102-65-1,"4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide","4-{[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl}-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide",Clc4cc(c(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)S(=O)(=O)N(C)C,Clc4cc(c(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)S(=O)(=O)N(C)C,"InChI=1/C26H22Cl2N4O5S/c1-32(2)38(35,36)23-14-18(27)21(13-19(23)28)30-31-24-16-9-5-4-8-15(16)12-17(25(24)33)26(34)29-20-10-6-7-11-22(20)37-3/h4-14,33H,1-3H3,(H,29,34)",C26H22Cl2N4O5S,,,,,,DKCXZVSRPSMJSN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.502,280-875-5,83803-56-9,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-alanine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-alanine - piperidine (1:1),C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C15H18N2O4S.C5H11N/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3;1-2-4-6-5-3-1/h4-10,16H,1-3H3,(H,18,19);6H,1-5H2",C15H18N2O4S.C5H11N,,,,,,YCUBRLRZPHPCLI-PPHPATTJSA-N,,,,,,,,,,,
100.072.281,279-533-8,80722-12-9,1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid,1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid,CCCCCCCCCCCCN1C(C(CC1=O)C(=O)O)c2ccccc2,CCCCCCCCCCCCN1C(C(CC1=O)C(=O)O)c2ccccc2,"InChI=1/C23H35NO3/c1-2-3-4-5-6-7-8-9-10-14-17-24-21(25)18-20(23(26)27)22(24)19-15-12-11-13-16-19/h11-13,15-16,20,22H,2-10,14,17-18H2,1H3,(H,26,27)",C23H35NO3,,,,,,DTUMBPIYQSQFQV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.285,279-538-5,80750-05-6,3-[tris(1-methylethoxy)silyl]propyl methacrylate,3-(triisopropoxysilyl)propyl methacrylate,CC(C)O[Si](CCCOC(=O)C(=C)C)(OC(C)C)OC(C)C,CC(C)O[Si](CCCOC(=O)C(=C)C)(OC(C)C)OC(C)C,"InChI=1/C16H32O5Si/c1-12(2)16(17)18-10-9-11-22(19-13(3)4,20-14(5)6)21-15(7)8/h13-15H,1,9-11H2,2-8H3",C16H32O5Si,,,,,,CHPNMYQJQQGAJS-UHFFFAOYSA-N,,,,,,,,,,,
100.072.299,279-553-7,80789-70-4,6-amino-2-phenylquinolin-4-ol,6-amino-2-phenylquinolin-4-ol,Nc1ccc2nc(cc(O)c2c1)c3ccccc3,Nc1ccc2nc(cc(O)c2c1)c3ccccc3,"InChI=1/C15H12N2O/c16-11-6-7-13-12(8-11)15(18)9-14(17-13)10-4-2-1-3-5-10/h1-9H,16H2,(H,17,18)",C15H12N2O,,,,,,YYHYWCOWAWBTGE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.304,279-558-4,80789-78-2,"Naphthalene-2,3-diamine hydrochloride","naphthalene-2,3-diamine hydrochloride",Cl.Nc1cc2ccccc2cc1N,Cl.Nc1cc2ccccc2cc1N,"InChI=1/C10H10N2.ClH/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6H,11-12H2;1H",C10H10N2.xClH,,,,,,NFDJXVMIVTUFCG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.744,281-143-8,83863-77-8,"6-(2-chloroethyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one","6-(2-chloroethyl)-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one",CC1=C(CCCl)C(=O)N2C(=CSC2=N1)C,CC1=C(CCCl)C(=O)N2C(=CSC2=N1)C,"InChI=1/C10H11ClN2OS/c1-6-5-15-10-12-7(2)8(3-4-11)9(14)13(6)10/h5H,3-4H2,1-2H3",C10H11ClN2OS,,,,,,MGWXSWNURQSQHA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.504,284-185-5,84803-58-7,p-methyl-a-undecylbenzylamine hydrochloride,1-(4-methylphenyl)dodecan-1-amine hydrochloride,Cl.CCCCCCCCCCCC(N)c1ccc(C)cc1,Cl.CCCCCCCCCCCC(N)c1ccc(C)cc1,"InChI=1/C19H33N.ClH/c1-3-4-5-6-7-8-9-10-11-12-19(20)18-15-13-17(2)14-16-18;/h13-16,19H,3-12,20H2,1-2H3;1H",C19H33N.ClH,,,,,,IMWYTJXLRVILSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.508,284-189-7,84803-62-3,"N,N-dimethyl-2-(propylamino)butyramide","N,N-dimethyl-2-(propylamino)butanamide",CCCNC(CC)C(=O)N(C)C,CCCNC(CC)C(=O)N(C)C,"InChI=1/C9H20N2O/c1-5-7-10-8(6-2)9(12)11(3)4/h8,10H,5-7H2,1-4H3",C9H20N2O,,,,,,ZTQZPLOALMHVJS-UHFFFAOYSA-N,,,,,,,,,,,
100.076.509,284-190-2,84803-63-4,Ethyl a-cyano-a-ethyl-1-cyclohepten-1-acetate,ethyl 2-cyano-2-cyclohept-1-en-1-ylbutanoate,CCOC(=O)C(CC)(C#N)C1=CCCCCC1,CCOC(=O)C(CC)(C#N)C1=CCCCCC1,"InChI=1/C14H21NO2/c1-3-14(11-15,13(16)17-4-2)12-9-7-5-6-8-10-12/h9H,3-8,10H2,1-2H3",C14H21NO2,,,,,,PGGLGZNPKUEJPE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.510,284-191-8,84803-64-5,Methyl a-cyano-a-ethyl-1-cyclohepten-1-acetate,methyl 2-cyano-2-cyclohept-1-en-1-ylbutanoate,CCC(C#N)(C(=O)OC)C1=CCCCCC1,CCC(C#N)(C(=O)OC)C1=CCCCCC1,"InChI=1/C13H19NO2/c1-3-13(10-14,12(15)16-2)11-8-6-4-5-7-9-11/h8H,3-7,9H2,1-2H3",C13H19NO2,,,,,,VYFVOYXLQYHQFL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.512,284-193-9,84803-66-7,Sodium a-hydroxycyclopentaneethanesulphonate,sodium 2-cyclopentyl-1-hydroxyethanesulfonate,[Na+].OC(CC1CCCC1)S(=O)(=O)[O-],[Na+].OC(CC1CCCC1)S(=O)(=O)[O-],"InChI=1/C7H14O4S.Na/c8-7(12(9,10)11)5-6-3-1-2-4-6;/h6-8H,1-5H2,(H,9,10,11);/q;+1/p-1",C7H14O4S.Na,,,,,,VROUKTPNBGNVRO-UHFFFAOYSA-M,,,,,,,,,,,
100.076.514,284-196-5,84803-68-9,N-(2-chloroethyl)-N-methyldodecanamide,N-(2-chloroethyl)-N-methyldodecanamide,CCCCCCCCCCCC(=O)N(C)CCCl,CCCCCCCCCCCC(=O)N(C)CCCl,"InChI=1/C15H30ClNO/c1-3-4-5-6-7-8-9-10-11-12-15(18)17(2)14-13-16/h3-14H2,1-2H3",C15H30ClNO,,,,,,JSSZMWBPDFEYBN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.809,275-714-0,71617-21-5,"4,4'-(cyclohexane-1,3-diyl)di-o-toluidine","4,4'-cyclohexane-1,3-diylbis(2-methylaniline)",Cc1cc(ccc1N)C2CCCC(C2)c3ccc(N)c(C)c3,Cc1cc(ccc1N)C2CCCC(C2)c3ccc(N)c(C)c3,"InChI=1/C20H26N2/c1-13-10-17(6-8-19(13)21)15-4-3-5-16(12-15)18-7-9-20(22)14(2)11-18/h6-11,15-16H,3-5,12,21-22H2,1-2H3",C20H26N2,,,,,,MPLRYIUJAPRXEC-UHFFFAOYSA-N,,,,,,,,,,,
100.064.185,270-625-3,68460-03-7,"Bis[2-chloro-1-(chloromethyl)ethyl] 2,3-dichloropropyl phosphate","bis[2-chloro-1-(chloromethyl)ethyl] 2,3-dichloropropyl phosphate",ClCC(Cl)COP(=O)(OC(CCl)CCl)OC(CCl)CCl,ClCC(Cl)COP(=O)(OC(CCl)CCl)OC(CCl)CCl,"InChI=1/C9H15Cl6O4P/c10-1-7(15)6-17-20(16,18-8(2-11)3-12)19-9(4-13)5-14/h7-9H,1-6H2",C9H15Cl6O4P,,,,,,PLUXGFREPRMQHY-UHFFFAOYSA-N,,,,,,,,,,,
100.065.951,272-567-4,68877-62-3,2-amino-5-[(2-chloro-6-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methylnicotinonitrile,2-amino-5-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-6-{[3-(4-hydroxybutoxy)propyl]amino}-4-methylnicotinonitrile,[O-][N+](=O)c2cc(C#N)c(N=Nc1c(C)c(C#N)c(N)nc1NCCCOCCCCO)c(Cl)c2,[O-][N+](=O)c2cc(C#N)c(N=Nc1c(C)c(C#N)c(N)nc1NCCCOCCCCO)c(Cl)c2,"InChI=1/C21H23ClN8O4/c1-13-16(12-24)20(25)27-21(26-5-4-8-34-7-3-2-6-31)18(13)28-29-19-14(11-23)9-15(30(32)33)10-17(19)22/h9-10,31H,2-8H2,1H3,(H3,25,26,27)",C21H23ClN8O4,,,,,,XESUQLJISQTRDH-UHFFFAOYSA-N,,,,,,,,,,,
100.065.975,272-594-1,68892-06-8,Methyl N-formyl-N-methylglycinate,methyl N-formyl-N-methylglycinate,COC(=O)CN(C)C=O,COC(=O)CN(C)C=O,"InChI=1/C5H9NO3/c1-6(4-7)3-5(8)9-2/h4H,3H2,1-2H3",C5H9NO3,,,,,,YPHUWLXQOBCRNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.976,272-595-7,68892-07-9,"Methyl 2,3-dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylate","methyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate",COC(=O)C1=CNC(=S)N1C,COC(=O)C1=CNC(=S)N1C,"InChI=1/C6H8N2O2S/c1-8-4(5(9)10-2)3-7-6(8)11/h3H,1-2H3,(H,7,11)",C6H8N2O2S,,,,,,MXRBCICJILKUCS-UHFFFAOYSA-N,,,,,,,,,,,
100.065.978,272-597-8,68892-11-5,2-hydroxy-4-undecylcyclopent-2-en-1-one,2-hydroxy-4-undecylcyclopent-2-en-1-one,CCCCCCCCCCCC1CC(=O)C(=C1)O,CCCCCCCCCCCC1CC(=O)C(=C1)O,"InChI=1/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15(17)16(18)13-14/h12,14,17H,2-11,13H2,1H3",C16H28O2,,,,,,AFRAWDMHCCDAIR-UHFFFAOYSA-N,,,,,,,,,,,
100.065.990,272-610-7,68892-26-2,"(Z)-3,7-dimethyloct-4-en-3-ol","3,7-dimethyloct-4-en-3-ol",CCC(C)(O)\\C=C/CC(C)C,CCC(C)(O)\C=C/CC(C)C,"InChI=1/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h6,8-9,11H,5,7H2,1-4H3",C10H20O,,,,,,DWBBJBOPPLCNKD-VURMDHGXSA-N,,,,,,,,,,,
100.067.660,274-449-8,70220-06-3,(Z)-1-methoxyhex-3-ene,1-methoxyhex-3-ene,CC\\C=C/CCOC,CC\C=C/CCOC,"InChI=1/C7H14O/c1-3-4-5-6-7-8-2/h4-5H,3,6-7H2,1-2H3",C7H14O,,,,,,KUPODEXLSGEWFR-PLNGDYQASA-N,,,,,,,,,,,
100.067.661,274-450-3,70220-23-4,(Z)-1-(allyloxy)hex-3-ene,1-(allyloxy)hex-3-ene,CC\\C=C/CCOCC=C,CC\C=C/CCOCC=C,"InChI=1/C9H16O/c1-3-5-6-7-9-10-8-4-2/h4-6H,2-3,7-9H2,1H3",C9H16O,,,,,,URXKWFQRCJODEE-WAYWQWQTSA-N,,,,,,,,,,,
100.067.662,274-451-9,70222-88-7,"(R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one","1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one",CC1(C)OC2(C)CCC1CC2=O,CC1(C)OC2(C)CCC1CC2=O,"InChI=1/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3",C10H16O2,,,,,,CCBAAZXPXFYPBE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.667,274-457-1,70224-86-1,"Trisodium 4-(acetylamino)-6-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-1,7-disulphonate","trisodium 4-acetamido-6-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].[Na+].BrC(=C)C(=O)Nc3cc(N=Nc2c(cc1c(ccc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,[Na+].[Na+].[Na+].BrC(=C)C(=O)Nc3cc(N=Nc2c(cc1c(ccc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(cc3)S([O-])(=O)=O,"InChI=1/C21H17BrN4O12S3.3Na/c1-9(22)21(29)24-11-3-5-16(40(33,34)35)14(7-11)25-26-19-17(41(36,37)38)8-12-15(39(30,31)32)6-4-13(23-10(2)27)18(12)20(19)28;;;/h3-8,28H,1H2,2H3,(H,23,27)(H,24,29)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",C21H17BrN4O12S3.3Na,,,,,,DWWWWJFNJPTPOC-UHFFFAOYSA-K,,,,,,,,,,,
100.067.677,274-468-1,70225-24-0,Bis[trimethyl-3-[[(undecafluoropentyl)sulphonyl]amino]propylammonium] sulphate,"bis(N,N,N-trimethyl-3-{[(undecafluoropentyl)sulfonyl]amino}propan-1-aminium) sulfate",C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],"InChI=1/2C11H16F11N2O2S.H2O4S/c2*1-24(2,3)6-4-5-23-27(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20;1-5(2,3)4/h2*23H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C11H16F11N2O2S.1/2O4S,,,,,,URZDLCWBSHBQJS-UHFFFAOYSA-L,,,,,,,,,,,
100.067.678,274-469-7,70225-26-2,[3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]trimethylammonium hydrogen sulphate,"3-{[(heptadecafluorooctyl)sulfonyl]amino}-N,N,N-trimethylpropan-1-aminium hydrogen sulfate",C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],"InChI=1/C14H16F17N2O2S.H2O4S/c1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;1-5(2,3)4/h32H,4-6H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2",C14H16F17N2O2S.1/2O4S,,,,,,DBQQFQWLIGQBER-UHFFFAOYSA-L,,,,,,,,,,,
100.073.859,281-269-3,83898-58-2,"Decyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate","decyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dien-1-oate",CCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\C=C/C(=O)OCCCCCCCCCC,"InChI=1/2C14H24O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;2*1-3-5-7-8-6-4-2;/h2*10-11H,2-9,12H2,1H3,(H,15,16);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC44H80O8Sn/c1-5-9-13-17-21-23-25-29-37-49-41(45)33-35-43(47)51-53(39-31-27-19-15-11-7-3,40-32-28-20-16-12-8-4)52-44(48)36-34-42(46)50-38-30-26-24-22-18-14-10-6-2/h33-36H,5-32,37-40H2,1-4H3",C44H80O8Sn,,,,,,FVAWYWJWCPURJR-YFQJWWFYSA-L,,,,,,,,,,,
100.073.860,281-270-9,83898-59-3,"Dodecyl (Z,Z,Z)-6-dodecyl-6-[[4-(dodecyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate","dodecyl 6-dodecyl-6-{[4-(dodecyloxy)-4-oxobut-2-enoyl]oxy}-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dien-1-oate",CCCCCCCCCCCCOC(=O)/C=C\\C(=O)O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/3C16H28O4.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-3-5-7-9-11-12-10-8-6-4-2;/h3*12-13H,2-11,14H2,1H3,(H,17,18);1,3-12H2,2H3;/q;;;;+3/p-3/rC60H106O12Sn/c1-5-9-13-17-21-25-29-33-37-41-51-67-55(61)45-48-58(64)70-73(54-44-40-36-32-28-24-20-16-12-8-4,71-59(65)49-46-56(62)68-52-42-38-34-30-26-22-18-14-10-6-2)72-60(66)50-47-57(63)69-53-43-39-35-31-27-23-19-15-11-7-3/h45-50H,5-44,51-54H2,1-4H3",C60H106O12Sn,,,,,,KNRQSUKKMORALU-NUJFUEHTSA-K,,,,,,,,,,,
100.073.861,281-271-4,83898-60-6,"Methyl (Z,Z)-8,8-didodecyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate","methyl 8,8-didodecyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate",CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)\\C=C/C(=O)OC)OC(=O)\\C=C/C(=O)OC,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)\C=C/C(=O)OC)OC(=O)\C=C/C(=O)OC,"InChI=1/2C12H25.2C5H6O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-9-5(8)3-2-4(6)7;/h2*1,3-12H2,2H3;2*2-3H,1H3,(H,6,7);/q;;;;+2/p-2/rC34H60O8Sn/c1-5-7-9-11-13-15-17-19-21-23-29-43(41-33(37)27-25-31(35)39-3,42-34(38)28-26-32(36)40-4)30-24-22-20-18-16-14-12-10-8-6-2/h25-28H,5-24,29-30H2,1-4H3",C34H60O8Sn,,,,,,NBXFNQNEQSOVMD-KYQHOYOTSA-L,,,,,,,,,,,
100.073.864,281-275-6,83898-63-9,"Hexahydro-3,3-dimethylimidazo[1,5-a]pyrazin-1(5H)-one","3,3-dimethylhexahydroimidazo[1,5-a]pyrazin-1(5H)-one",CC1(C)NC(=O)C2CNCCN12,CC1(C)NC(=O)C2CNCCN12,"InChI=1/C8H15N3O/c1-8(2)10-7(12)6-5-9-3-4-11(6)8/h6,9H,3-5H2,1-2H3,(H,10,12)",C8H15N3O,,,,,,IEYKCXJYWXSHCR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.489,284-168-2,84803-42-9,Calcium tetrachloropalladate(2-),calcium tetrachloropalladate(2-),[Ca+2].Cl[Pd-2](Cl)(Cl)Cl,[Ca+2].Cl[Pd-2](Cl)(Cl)Cl,"InChI=1/Ca.4ClH.Pd/h;4*1H;/q+2;;;;;+4/p-4/rCa.Cl4Pd/c;1-5(2,3)4/q+2;",Ca.Cl4Pd,,,,,,WYGKWAVVURYOJY-UHFFFAOYSA-J,,,,,,,,,,,
100.076.494,284-174-5,84803-48-5,"4-butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione","4-butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione",CCCCC1(CO)C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3,CCCCC1(CO)C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3,"InChI=1/C20H22N2O4/c1-2-3-13-20(14-23)18(25)21(15-7-5-4-6-8-15)22(19(20)26)16-9-11-17(24)12-10-16/h4-12,23-24H,2-3,13-14H2,1H3",C20H22N2O4,,,,,,BZLRLKIDKINDQD-UHFFFAOYSA-N,,,,,,,,,,,
100.076.495,284-175-0,84803-49-6,Bis(5-chloro-8-hydroxyquinolinium) sulphate,bis(5-chloro-8-hydroxyquinolinium) sulfate,Oc1ccc(Cl)c2ccc[nH+]c12.Oc3ccc(Cl)c4ccc[nH+]c34.[O-]S(=O)(=O)[O-],Oc1ccc(Cl)c2ccc[nH+]c12.Oc3ccc(Cl)c4ccc[nH+]c34.[O-]S(=O)(=O)[O-],"InChI=1/2C9H6ClNO.H2O4S/c2*10-7-3-4-8(12)9-6(7)2-1-5-11-9;1-5(2,3)4/h2*1-5,12H;(H2,1,2,3,4)",C9H6ClNO.1/2H2O4S,,,,,,DCHJUHZBQRBJFU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.498,284-178-7,84803-52-1,N-(2-chloro-6-nitrophenyl)-N-phenylacetamide,N-(2-chloro-6-nitrophenyl)-N-phenylacetamide,CC(=O)N(c1ccccc1)c2c(Cl)cccc2[N+](=O)[O-],CC(=O)N(c1ccccc1)c2c(Cl)cccc2[N+](=O)[O-],"InChI=1/C14H11ClN2O3/c1-10(18)16(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)17(19)20/h2-9H,1H3",C14H11ClN2O3,,,,,,DLXYWZMHUVVOFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.499,284-179-2,84803-53-2,"N-(2,6-dichlorophenyl)-N-phenylacetamide","N-(2,6-dichlorophenyl)-N-phenylacetamide",CC(=O)N(c1ccccc1)c2c(Cl)cccc2Cl,CC(=O)N(c1ccccc1)c2c(Cl)cccc2Cl,"InChI=1/C14H11Cl2NO/c1-10(18)17(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)16/h2-9H,1H3",C14H11Cl2NO,,,,,,WKSKHBFEWVRZEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.764,278-963-3,78649-62-4,"2-butyl-1,4-dioxaspiro[4.4]nonane","2-butyl-1,4-dioxaspiro[4.4]nonane",CCCCC1COC2(CCCC2)O1,CCCCC1COC2(CCCC2)O1,"InChI=1/C11H20O2/c1-2-3-6-10-9-12-11(13-10)7-4-5-8-11/h10H,2-9H2,1H3",C11H20O2,,,,,,RZZUCKICOCVJJN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.026,284-760-0,84962-61-8,Aluminium hydroxydimethylbenzenesulphonate,"aluminum tris(2-hydroxy-3,4-dimethylbenzenesulfonate)",[Al+3].Cc1ccc(c(O)c1C)S(=O)(=O)[O-].Cc2ccc(c(O)c2C)S(=O)(=O)[O-].Cc3ccc(c(O)c3C)S(=O)(=O)[O-],[Al+3].Cc1ccc(c(O)c1C)S(=O)(=O)[O-].Cc2ccc(c(O)c2C)S(=O)(=O)[O-].Cc3ccc(c(O)c3C)S(=O)(=O)[O-],"InChI=1/3C8H10O4S.Al/c3*1-5-3-4-7(13(10,11)12)8(9)6(5)2;/h3*3-4,9H,1-2H3,(H,10,11,12);/q;;;+3/p-3",C8H10O4S.xAl,,,,,,NUNLWKLGYPRCHT-UHFFFAOYSA-K,,,,,,,,,,,
100.077.028,284-762-1,84962-63-0,Potassium hydroxydimethylbenzenesulphonate,"potassium 2-hydroxy-3,4-dimethylbenzenesulfonate",[K+].Cc1ccc(c(O)c1C)S(=O)(=O)[O-],[K+].Cc1ccc(c(O)c1C)S(=O)(=O)[O-],"InChI=1/C8H10O4S.K/c1-5-3-4-7(13(10,11)12)8(9)6(5)2;/h3-4,9H,1-2H3,(H,10,11,12);/q;+1/p-1",C8H10O4S.K,,,,,,DDBVXHHFCNQBRC-UHFFFAOYSA-M,,,,,,,,,,,
100.077.030,284-764-2,84962-66-3,"Bis(amidinourea) phosphate, mono(hydroxymethyl) derivative",-,NC(=N)NC(=O)N.NC(=N)NC(=O)N.OCOP(=O)([O-])[O-],NC(=N)NC(=O)N.NC(=N)NC(=O)N.OCOP(=O)([O-])[O-],"InChI=1/2C2H6N4O.CH5O5P/c2*3-1(4)6-2(5)7;2-1-6-7(3,4)5/h2*(H6,3,4,5,6,7);2H,1H2,(H2,3,4,5)/p-2",C3H8N4O2.1/2H3O4P,,,,,,YJQYZJKIGOUMEM-UHFFFAOYSA-L,,,,,,,,,,,
100.070.525,277-600-6,73772-46-0,(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide,"N-(carboxymethyl)-N,N-dimethyl-3-(octanoylamino)propan-1-aminium hydroxide",[OH-].CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,"InChI=1/C15H30N2O3.H2O/c1-4-5-6-7-8-10-14(18)16-11-9-12-17(2,3)13-15(19)20;/h4-13H2,1-3H3,(H-,16,18,19,20);1H2",C15H30N2O3,,,,,,NYRZVNFMNOUXFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.534,277-610-0,73792-22-0,1-(4-amino-3-fluorophenyl)ethan-1-one,1-(4-amino-3-fluorophenyl)ethanone,CC(=O)c1ccc(N)c(F)c1,CC(=O)c1ccc(N)c(F)c1,"InChI=1/C8H8FNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,10H2,1H3",C8H8FNO,,,,,,HAGOSDNWHSSVDX-UHFFFAOYSA-N,,,,,,,,,,,
100.070.537,277-613-7,73815-11-9,Cimoxatone,"3-({4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy}methyl)benzonitrile",COCC1CN(C(=O)O1)c2ccc(OCc3cccc(c3)C#N)cc2,COCC1CN(C(=O)O1)c2ccc(OCc3cccc(c3)C#N)cc2,"InChI=1/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-5-7-17(8-6-16)24-12-15-4-2-3-14(9-15)10-20/h2-9,18H,11-13H2,1H3",C19H18N2O4,,,,,,MVVJINIUPYKZHR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.539,277-615-8,73816-48-5,2-[(1H-indol-3-ylmethylene)amino]ethanol,2-[(1H-indol-3-ylmethylene)amino]ethanol,OCCN=Cc2cnc1ccccc12,OCCN=Cc2cnc1ccccc12,"InChI=1/C11H12N2O/c14-6-5-12-7-9-8-13-11-4-2-1-3-10(9)11/h1-4,7-8,13-14H,5-6H2",C11H12N2O,,,,,,FMKKGXHWJSVLSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.198,269-538-3,68298-06-6,2-[ethyl[(undecafluoropentyl)sulphonyl]amino]ethyl acrylate,2-{ethyl[(undecafluoropentyl)sulfonyl]amino}ethyl acrylate,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H12F11NO4S/c1-3-7(25)28-6-5-24(4-2)29(26,27)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h3H,1,4-6H2,2H3",C12H12F11NO4S,,,,,,ZCIQIKYETQVARM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.205,269-546-7,68298-20-4,Disodium N-[2-(carboxylatomethoxy)ethyl]-N-[2-[(1-oxododecyl)amino]ethyl]glycinate,disodium {[2-(carboxylatomethoxy)ethyl][2-(dodecanoylamino)ethyl]amino}acetate,[Na+].[Na+].CCCCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-],"InChI=1/C20H38N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(23)21-12-13-22(16-19(24)25)14-15-28-17-20(26)27;;/h2-17H2,1H3,(H,21,23)(H,24,25)(H,26,27);;/q;2*+1/p-2",C20H38N2O6.2Na,,,,,,QKQCPXJIOJLHAL-UHFFFAOYSA-L,,,,,,,,,,,
100.063.209,269-550-9,68298-27-1,"Isophthalic acid, compound with 1-phenyl-1H-imidazole (1:2)",isophthalic acid - 1-phenyl-1H-imidazole (1:2),OC(=O)c1cccc(c1)C(=O)O.c2ccc(cc2)n3ccnc3.c4ccc(cc4)n5ccnc5,OC(=O)c1cccc(c1)C(=O)O.c2ccc(cc2)n3ccnc3.c4ccc(cc4)n5ccnc5,"InChI=1/2C9H8N2.C8H6O4/c2*1-2-4-9(5-3-1)11-7-6-10-8-11;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*1-8H;1-4H,(H,9,10)(H,11,12)",C9H8N2.1/2C8H6O4,,,,,,UVFXIEUMFZVPND-UHFFFAOYSA-N,,,,,,,,,,,
100.063.210,269-551-4,68298-28-2,"8-(2,2-diethoxyethoxy)-2,6-dimethyloct-2-ene","8-(2,2-diethoxyethoxy)-2,6-dimethyloct-2-ene",CCOC(COCCC(C)CCC=C(C)C)OCC,CCOC(COCCC(C)CCC=C(C)C)OCC,"InChI=1/C16H32O3/c1-6-18-16(19-7-2)13-17-12-11-15(5)10-8-9-14(3)4/h9,15-16H,6-8,10-13H2,1-5H3",C16H32O3,,,,,,NELFLEJGHKZFQI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.215,269-557-7,68298-34-0,"1-(2,3-dihydro-1,1,3,3,6-pentamethyl-1H-inden-5-yl)-2-buten-1-one","1-(1,1,3,3,6-pentamethyl-2,3-dihydro-1H-inden-5-yl)but-2-en-1-one",CC=CC(=O)c1cc2c(cc1C)C(C)(C)CC2(C)C,CC=CC(=O)c1cc2c(cc1C)C(C)(C)CC2(C)C,"InChI=1/C18H24O/c1-7-8-16(19)13-10-15-14(9-12(13)2)17(3,4)11-18(15,5)6/h7-10H,11H2,1-6H3",C18H24O,,,,,,VHGRISIIWCHDBX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.220,269-562-4,68298-39-5,"4-[(2-acetoxyethyl)thio]-4-butyl-9-oxo-8-oxa-3,5-dithia-4-stannadecyl acetate","4-[(2-acetoxyethyl)sulfanyl]-4-butyl-9-oxo-8-oxa-3,5-dithia-4-stannadec-1-yl acetate (non-preferred name)",CCCC[Sn](SCCOC(=O)C)(SCCOC(=O)C)SCCOC(=O)C,CCCC[Sn](SCCOC(=O)C)(SCCOC(=O)C)SCCOC(=O)C,"InChI=1/3C4H8O2S.C4H9.Sn/c3*1-4(5)6-2-3-7;1-3-4-2;/h3*7H,2-3H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC16H30O6S3Sn/c1-5-6-13-26(23-10-7-20-14(2)17,24-11-8-21-15(3)18)25-12-9-22-16(4)19/h5-13H2,1-4H3",C16H30O6S3Sn,,,,,,NHDFLDRVKBDAMJ-UHFFFAOYSA-K,,,,,,,,,,,
100.063.225,269-568-7,68298-44-2,Sodium 4-methylpentyl sulphate,sodium 4-methylpentyl sulfate,[Na+].CC(C)CCCOS(=O)(=O)[O-],[Na+].CC(C)CCCOS(=O)(=O)[O-],"InChI=1/C6H14O4S.Na/c1-6(2)4-3-5-10-11(7,8)9;/h6H,3-5H2,1-2H3,(H,7,8,9);/q;+1/p-1",C6H14O4S.Na,,,,,,DIJWHGFNNPIUTC-UHFFFAOYSA-M,,,,,,,,,,,
100.075.786,283-392-8,84605-29-8,"Phosphorodithioic acid, mixed O,O-bis(1,3-dimethylbutyl and iso-Pr) esters, zinc salts","zinc bis[O-(1,3-dimethylbutyl) O-isopropyl dithiophosphate]",[Zn+2].CC(C)CC(C)OP(=S)([S-])OC(C)C.CC(C)CC(C)OP(=S)([S-])OC(C)C,[Zn+2].CC(C)CC(C)OP(=S)([S-])OC(C)C.CC(C)CC(C)OP(=S)([S-])OC(C)C,"InChI=1/2C9H21O2PS2.Zn/c2*1-7(2)6-9(5)11-12(13,14)10-8(3)4;/h2*7-9H,6H2,1-5H3,(H,13,14);/q;;+2/p-2",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15018,https://echa.europa.eu/substance-information/-/substanceinfo/100.075.786,ZLJYMIJYVMPKAH-UHFFFAOYSA-L,,,,,,,,,,,
100.075.826,283-437-1,84642-60-4,(E)-oct-2-enyl butyrate,oct-2-en-1-yl butyrate,CCCCC\\C=C\\COC(=O)CCC,CCCCC\C=C\COC(=O)CCC,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3",C12H22O2,,,,,,GPINUUWEKPNDBB-CMDGGOBGSA-N,,,,,,,,,,,
100.075.828,283-439-2,84642-62-6,"3,4-dihydro-2,5-dipropyl-2H-pyran-2-methanol","(2,5-dipropyl-3,4-dihydro-2H-pyran-2-yl)methanol",CCCC1=COC(CO)(CCC)CC1,CCCC1=COC(CO)(CCC)CC1,"InChI=1/C12H22O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h9,13H,3-8,10H2,1-2H3",C12H22O2,,,,,,USQXTJUNNFVXKE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.520,284-202-6,84812-59-9,2-chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium tetrachlorozincate (2:1),bis[2-chloro-5-methoxy-4-(pyridin-2-ylamino)benzenediazonium] tetrachlorozincate(2-),COc1cc([N+]#N)c(Cl)cc1Nc2ccccn2.COc3cc([N+]#N)c(Cl)cc3Nc4ccccn4.Cl[Zn-2](Cl)(Cl)Cl,COc1cc([N+]#N)c(Cl)cc1Nc2ccccn2.COc3cc([N+]#N)c(Cl)cc3Nc4ccccn4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C12H10ClN4O.4ClH.Zn/c2*1-18-11-7-9(17-14)8(13)6-10(11)16-12-4-2-3-5-15-12;;;;;/h2*2-7H,1H3,(H,15,16);4*1H;/q2*+1;;;;;+2/p-4/r2C12H10ClN4O.Cl4Zn/c2*1-18-11-7-9(17-14)8(13)6-10(11)16-12-4-2-3-5-15-12;1-5(2,3)4/h2*2-7H,1H3,(H,15,16);/q2*+1;-2",C12H10ClN4O.1/2Cl4Zn,,,,,,LMHPLJABFAXBGL-UHFFFAOYSA-J,,,,,,,,,,,
100.076.526,284-208-9,84812-65-7,Ethyl 4-pentyl-1-oxaspiro[2.4]heptane-2-carboxylate,ethyl 4-pentyl-1-oxaspiro[2.4]heptane-2-carboxylate,CCCCCC1CCCC12OC2C(=O)OCC,CCCCCC1CCCC12OC2C(=O)OCC,"InChI=1/C14H24O3/c1-3-5-6-8-11-9-7-10-14(11)12(17-14)13(15)16-4-2/h11-12H,3-10H2,1-2H3",C14H24O3,,,,,,KUPPWEZAXZBBTH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.532,284-215-7,84812-71-5,4-(3-oxobutyl)phenyl isovalerate,4-(3-oxobutyl)phenyl 3-methylbutanoate,CC(C)CC(=O)Oc1ccc(CCC(=O)C)cc1,CC(C)CC(=O)Oc1ccc(CCC(=O)C)cc1,"InChI=1/C15H20O3/c1-11(2)10-15(17)18-14-8-6-13(7-9-14)5-4-12(3)16/h6-9,11H,4-5,10H2,1-3H3",C15H20O3,,,,,,TXFRWSBGEBFNFP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.503,280-876-0,83803-57-0,3-bromo-6-chloro-2-methoxytoluene,1-bromo-4-chloro-2-methoxy-3-methylbenzene,COc1c(C)c(Cl)ccc1Br,COc1c(C)c(Cl)ccc1Br,"InChI=1/C8H8BrClO/c1-5-7(10)4-3-6(9)8(5)11-2/h3-4H,1-2H3",C8H8BrClO,,,,,,JECXAFPZOCICOM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.518,280-892-8,83803-74-1,6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]1H-benzotriazole-5-carboxamide monohydrochloride,5-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-benzotriazole-6-carboxamide hydrochloride,Cl.COc1cc2nn[nH]c2cc1C(=O)NCC3CCCN3C,Cl.COc1cc2nn[nH]c2cc1C(=O)NCC3CCCN3C,"InChI=1/C14H19N5O2.ClH/c1-19-5-3-4-9(19)8-15-14(20)10-6-11-12(17-18-16-11)7-13(10)21-2;/h6-7,9H,3-5,8H2,1-2H3,(H,15,20)(H,16,17,18);1H",C14H19N5O2.ClH,,,,,,HWIKQCOVDUIELT-UHFFFAOYSA-N,,,,,,,,,,,
100.073.522,280-897-5,83803-78-5,Diammonium 6-acetamido-4-hydroxy-3-[(3-phosphonatophenyl)azo]naphthalene-2-sulphonate,-,[NH4+].[NH4+].O=P([O-])([O-])c3cc(N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)ccc3,[NH4+].[NH4+].O=P([O-])([O-])c3cc(N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)ccc3,"InChI=1/C18H16N3O8PS.2H3N/c1-10(22)19-12-6-5-11-7-16(31(27,28)29)17(18(23)15(11)9-12)21-20-13-3-2-4-14(8-13)30(24,25)26;;/h2-9,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29);2*1H3/p-1",C18H16N3O8PS.2H3N,,,,,,BGYXBWZKPPVQGT-UHFFFAOYSA-M,,,,,,,,,,,
100.073.526,280-902-0,83803-82-1,4-(chloromethyl)-N-(isopropyl)benzamide,4-(chloromethyl)-N-isopropylbenzamide,CC(C)NC(=O)c1ccc(CCl)cc1,CC(C)NC(=O)c1ccc(CCl)cc1,"InChI=1/C11H14ClNO/c1-8(2)13-11(14)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14)",C11H14ClNO,,,,,,RPFIHLIZZKXZAY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.528,280-904-1,83803-84-3,"(7-formyl-3-methyl-2,4,6-octatrienyl)triphenylphosphonium chloride","(3,7-dimethyl-8-oxoocta-2,4,6-trien-1-yl)(triphenyl)phosphonium chloride",[Cl-].O=CC(C)=CC=CC(C)=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].O=CC(C)=CC=CC(C)=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C28H28OP.ClH/c1-24(13-12-14-25(2)23-29)21-22-30(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28;/h3-21,23H,22H2,1-2H3;1H/q+1;/p-1",C28H28OP.Cl,,,,,,JNHJJHXQGSHKDO-UHFFFAOYSA-M,,,,,,,,,,,
100.073.532,280-908-3,83803-88-7,2-hydroxy-4-methoxy-3-methylbenzophenone,(2-hydroxy-4-methoxy-3-methylphenyl)(phenyl)methanone,COc1ccc(C(=O)c2ccccc2)c(O)c1C,COc1ccc(C(=O)c2ccccc2)c(O)c1C,"InChI=1/C15H14O3/c1-10-13(18-2)9-8-12(14(10)16)15(17)11-6-4-3-5-7-11/h3-9,16H,1-2H3",C15H14O3,,,,,,CUWRRXIHOSRXGN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.533,280-909-9,83803-89-8,4-[3-(dimethylamino)propoxy]-2-hydroxybenzophenone hydrochloride,{4-[3-(dimethylamino)propoxy]-2-hydroxyphenyl}(phenyl)methanone hydrochloride,Cl.CN(C)CCCOc1ccc(C(=O)c2ccccc2)c(O)c1,Cl.CN(C)CCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C18H21NO3.ClH/c1-19(2)11-6-12-22-15-9-10-16(17(20)13-15)18(21)14-7-4-3-5-8-14;/h3-5,7-10,13,20H,6,11-12H2,1-2H3;1H",C18H21NO3.ClH,,,,,,ACFMNXXTNNRFNY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.538,280-915-1,83803-94-5,2'-(2-methylbenzoyl)-2-naphthohydrazide,N'-(2-methylbenzoyl)-2-naphthohydrazide,Cc1ccccc1C(=O)NNC(=O)c2ccc3ccccc3c2,Cc1ccccc1C(=O)NNC(=O)c2ccc3ccccc3c2,"InChI=1/C19H16N2O2/c1-13-6-2-5-9-17(13)19(23)21-20-18(22)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H,20,22)(H,21,23)",C19H16N2O2,,,,,,PLZLECZNFLCRPC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.542,280-919-3,83803-98-9,"3-[[4-[[diamino(phenylazo)phenyl]azo]-1-naphthyl]azo]-N,N,N-trimethylanilinium chloride","3-[(4-{[2,3-diamino-4-(phenyldiazenyl)phenyl]diazenyl}-1-naphthyl)diazenyl]-N,N,N-trimethylanilinium chloride",[Cl-].Nc5c(N=Nc3ccc(N=Nc1cccc(c1)[N+](C)(C)C)c2ccccc23)ccc(N=Nc4ccccc4)c5N,[Cl-].Nc5c(N=Nc3ccc(N=Nc1cccc(c1)[N+](C)(C)C)c2ccccc23)ccc(N=Nc4ccccc4)c5N,"InChI=1/C31H30N9.ClH/c1-40(2,3)23-13-9-12-22(20-23)35-36-26-16-17-27(25-15-8-7-14-24(25)26)37-39-29-19-18-28(30(32)31(29)33)38-34-21-10-5-4-6-11-21;/h4-20H,32-33H2,1-3H3;1H/q+1;/p-1",C31H30N9.Cl,,,,,,QIPRKENJJYMNLX-UHFFFAOYSA-M,,,,,,,,,,,
100.068.811,275-716-1,71617-23-7,"3,3'-(1,2-ethanediyl)biscyclohexene","3,3'-ethane-1,2-diyldicyclohexene",C(CC1CCCC=C1)C2CCCC=C2,C(CC1CCCC=C1)C2CCCC=C2,"InChI=1/C14H22/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h3,5,7,9,13-14H,1-2,4,6,8,10-12H2",C14H22,,,,,,MWESVCMJQLFTIE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.816,275-721-9,71617-28-2,N-[4-chloro-2-[(2-chloro-4-nitrophenyl)azo]-5-[(2-hydroxypropyl)amino]phenyl]acetamide,N-{4-chloro-2-[(2-chloro-4-nitrophenyl)diazenyl]-5-[(2-hydroxypropyl)amino]phenyl}acetamide,Clc2cc(ccc2N=Nc1cc(Cl)c(NCC(C)O)cc1NC(C)=O)[N+]([O-])=O,Clc2cc(ccc2N=Nc1cc(Cl)c(NCC(C)O)cc1NC(C)=O)[N+]([O-])=O,"InChI=1/C17H17Cl2N5O4/c1-9(25)8-20-15-7-16(21-10(2)26)17(6-13(15)19)23-22-14-4-3-11(24(27)28)5-12(14)18/h3-7,9,20,25H,8H2,1-2H3,(H,21,26)",C17H17Cl2N5O4,,,,,,ZUPIQBGINDIKCE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.822,275-728-7,71626-11-4,"Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-DL-alaninate","methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-L-alaninate",COC(=O)[C@H](C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C,COC(=O)[C@H](C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C,"InChI=1/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3",C20H23NO3,,,,,,CJPQIRJHIZUAQP-INIZCTEOSA-N,,,,,,,,,,,
100.068.824,275-730-8,71628-03-0,"(2R-trans)-2-[3,4-bis(phenylmethoxy)phenyl]-3-(heptyloxy)-3,4-dihydro-5,7-bis(phenylmethoxy)-2H-1-benzopyran","5,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-3-(heptyloxy)chromane",CCCCCCCO[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5,CCCCCCCO[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5,"InChI=1/C50H52O6/c1-2-3-4-5-18-29-51-49-33-44-46(54-36-40-23-14-8-15-24-40)31-43(52-34-38-19-10-6-11-20-38)32-47(44)56-50(49)42-27-28-45(53-35-39-21-12-7-13-22-39)48(30-42)55-37-41-25-16-9-17-26-41/h6-17,19-28,30-32,49-50H,2-5,18,29,33-37H2,1H3",C50H52O6,,,,,,FDZJWZTYRZQMOG-LOYCUKJKSA-N,,,,,,,,,,,
100.068.839,275-747-0,71648-19-6,[(2-ethylhexyl)oxy]methanediol,[(2-ethylhexyl)oxy]methanediol,CCCCC(CC)COC(O)O,CCCCC(CC)COC(O)O,"InChI=1/C9H20O3/c1-3-5-6-8(4-2)7-12-9(10)11/h8-11H,3-7H2,1-2H3",C9H20O3,,,,,,ZWXXPZAAJBREPE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.850,275-759-6,71648-30-1,"Ethyl-4,5-dihydroxynaphthalene-2,7-disulphonic acid","1-ethyl-4,5-dihydroxynaphthalene-2,7-disulfonic acid",CCc1c(cc(O)c2c(O)cc(cc12)S(=O)(=O)O)S(=O)(=O)O,CCc1c(cc(O)c2c(O)cc(cc12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C12H12O8S2/c1-2-7-8-3-6(21(15,16)17)4-9(13)12(8)10(14)5-11(7)22(18,19)20/h3-5,13-14H,2H2,1H3,(H,15,16,17)(H,18,19,20)",C12H12O8S2,,,,,,HLYPWPGVFFDJHS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.853,275-762-2,71648-33-4,a-propoxyphenethyl alcohol,2-phenyl-1-propoxyethanol,CCCOC(O)Cc1ccccc1,CCCOC(O)Cc1ccccc1,"InChI=1/C11H16O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3",C11H16O2,,,,,,ZIIZEEWHNOONMF-UHFFFAOYSA-N,,,,,,,,,,,
100.064.208,270-651-5,68475-57-0,"Alkanes, C1-2",methane,C,C,InChI=1/CH4/h1H4,-,,,,,,VNWKTOKETHGBQD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.211,270-654-1,68475-60-5,"Alkanes, C4-5",isobutane,CC(C)C,CC(C)C,"InChI=1/C4H10/c1-4(2)3/h4H,1-3H3",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11806,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.211,NNPPMTNAJDCUHE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.511,274-286-2,70031-49-1,Butyl [[(dimethylamino)thioxomethyl]thio]acetate,butyl [(dimethylcarbamothioyl)sulfanyl]acetate,CCCCOC(=O)CSC(=S)N(C)C,CCCCOC(=O)CSC(=S)N(C)C,"InChI=1/C9H17NO2S2/c1-4-5-6-12-8(11)7-14-9(13)10(2)3/h4-7H2,1-3H3",C9H17NO2S2,,,,,,TZTFPVOIMLPAMR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.513,274-288-3,70049-77-3,3-(aminosulphonyl)-4-chlorobenzoyl chloride,4-chloro-3-sulfamoylbenzoyl chloride,NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cl,NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cl,"InChI=1/C7H5Cl2NO3S/c8-5-2-1-4(7(9)11)3-6(5)14(10,12)13/h1-3H,(H2,10,12,13)",C7H5Cl2NO3S,,,,,,SCYSJFKWFQZRJW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.515,274-290-4,70051-25-1,"(2S-cis)-2-(2,2,3-trimethyl-4-oxocyclopentyl)ethyl acetate","2-(2,2,3-trimethyl-4-oxocyclopentyl)ethyl acetate",CC1C(=O)CC(CCOC(=O)C)C1(C)C,CC1C(=O)CC(CCOC(=O)C)C1(C)C,"InChI=1/C12H20O3/c1-8-11(14)7-10(12(8,3)4)5-6-15-9(2)13/h8,10H,5-7H2,1-4H3",C12H20O3,,,,,,ODBRWRPMELYFSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.518,274-294-6,70055-71-9,Trimethyl[3-(oleoylamino)propyl]ammonium methyl methylphosphonate,"N,N,N-trimethyl-3-(oleoylamino)propan-1-aminium methyl methylphosphonate",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)C.COP(=O)(C)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)C.COP(=O)(C)[O-],"InChI=1/C24H48N2O.C2H7O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-6(2,3)4/h12-13H,5-11,14-23H2,1-4H3;1-2H3,(H,3,4)",C24H49N2O.C2H6O3P,,,,,,PBMBPUTYRNYYSO-USGGBSEESA-N,,,,,,,,,,,
100.067.519,274-295-1,70057-23-7,"1,1,5,6-tetramethylindan-4-ol","1,1,5,6-tetramethylindan-4-ol",Cc1cc2c(CCC2(C)C)c(O)c1C,Cc1cc2c(CCC2(C)C)c(O)c1C,"InChI=1/C13H18O/c1-8-7-11-10(12(14)9(8)2)5-6-13(11,3)4/h7,14H,5-6H2,1-4H3",C13H18O,,,,,,DEJZBGOXTSKQOX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.536,274-313-8,70092-46-5,2-(cyclohexyloxy)cyclohexan-1-ol,2-(cyclohexyloxy)cyclohexanol,OC1CCCCC1OC2CCCCC2,OC1CCCCC1OC2CCCCC2,"InChI=1/C12H22O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h10-13H,1-9H2",C12H22O2,,,,,,GBQDQIHYVCMANU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.031,284-765-8,84962-67-4,4-(3-oxobutyl)phenyl isobutyrate,4-(3-oxobutyl)phenyl 2-methylpropanoate,CC(C)C(=O)Oc1ccc(CCC(=O)C)cc1,CC(C)C(=O)Oc1ccc(CCC(=O)C)cc1,"InChI=1/C14H18O3/c1-10(2)14(16)17-13-8-6-12(7-9-13)5-4-11(3)15/h6-10H,4-5H2,1-3H3",C14H18O3,,,,,,VEABESDNQUAXFH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.032,284-766-3,84962-68-5,"3,3,5-trimethyl-1-(2-pyridyl)cyclohexan-1-ol","3,3,5-trimethyl-1-pyridin-2-ylcyclohexanol",CC1CC(C)(C)CC(O)(C1)c2ccccn2,CC1CC(C)(C)CC(O)(C1)c2ccccn2,"InChI=1/C14H21NO/c1-11-8-13(2,3)10-14(16,9-11)12-6-4-5-7-15-12/h4-7,11,16H,8-10H2,1-3H3",C14H21NO,,,,,,OUQTUNGKRGOVFX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.034,284-768-4,84962-70-9,"Octahydro-4,7-methano-1H-inden-5-yl butyrate","octahydro-1H-4,7-methanoinden-5-yl butyrate",CCCC(=O)OC1CC2CC1C3CCCC23,CCCC(=O)OC1CC2CC1C3CCCC23,"InChI=1/C14H22O2/c1-2-4-14(15)16-13-8-9-7-12(13)11-6-3-5-10(9)11/h9-13H,2-8H2,1H3",C14H22O2,,,,,,YMXRBJAUZVMBOC-UHFFFAOYSA-N,,,,,,,,,,,
100.077.035,284-770-5,84962-71-0,"2,4-dimethyl-2-(3,5,5-trimethyl-2-cyclohexen-1-yl)-1,3-dioxolane","2,4-dimethyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)-1,3-dioxolane",CC1COC(C)(O1)C2CC(C)(C)CC(=C2)C,CC1COC(C)(O1)C2CC(C)(C)CC(=C2)C,"InChI=1/C14H24O2/c1-10-6-12(8-13(3,4)7-10)14(5)15-9-11(2)16-14/h6,11-12H,7-9H2,1-5H3",C14H24O2,,,,,,XODOBODQNVUHDA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.040,284-775-2,84962-76-5,"2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane","2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane",ClCC1(OCCO1)c2ccc(Cl)cc2Cl,ClCC1(OCCO1)c2ccc(Cl)cc2Cl,"InChI=1/C10H9Cl3O2/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13/h1-2,5H,3-4,6H2",C10H9Cl3O2,,,,,,CLGGAEHNDWBJKR-UHFFFAOYSA-N,,,,,,,,,,,
100.077.045,284-781-5,84962-81-2,"[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydrogen adipate","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydrogen adipate",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCCCC(=O)[O-],CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C27H33N2.C6H10O4/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;7-5(8)3-1-2-4-6(9)10/h9-21H,5-8H2,1-4H3;1-4H2,(H,7,8)(H,9,10)/q+1;/p-2",C27H33N2.C6H9O4,,,,,,KNHQGQWCVYRHRL-UHFFFAOYSA-L,,,,,,,,,,,
100.077.049,284-785-7,84962-85-6,"[4-[a-(4-anilino-1-naphthyl)-4-(dimethylamino)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium lactate","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium 2-hydroxypropanoate",CC(O)C(=O)[O-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35,CC(O)C(=O)[O-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35,"InChI=1/C33H31N3.C3H6O3/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;1-2(4)3(5)6/h5-23H,1-4H3;2,4H,1H3,(H,5,6)",C33H32N3.C3H5O3,,,,,,VLBFXPPQCJCJIY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.056,284-793-0,84962-92-5,Sodium 2-ethyl-3-hydroxyhexyl sulphate,sodium 2-ethyl-3-hydroxyhexyl sulfate,[Na+].CCCC(O)C(CC)COS(=O)(=O)[O-],[Na+].CCCC(O)C(CC)COS(=O)(=O)[O-],"InChI=1/C8H18O5S.Na/c1-3-5-8(9)7(4-2)6-13-14(10,11)12;/h7-9H,3-6H2,1-2H3,(H,10,11,12);/q;+1/p-1",C8H18O5S.Na,,,,,,ILQMPQOCAOYYHC-UHFFFAOYSA-M,,,,,,,,,,,
100.073.640,281-028-2,83846-52-0,"1-(decahydro-2,2,4a,7a-tetramethyl-1H-cyclobut[e]inden-5-yl)ethan-1-one","1-(2,2,4a,7a-tetramethyldecahydro-1H-cyclobuta[e]inden-5-yl)ethanone",CC(=O)C1CCC2(C)C3CC(C)(C)C3CCC12C,CC(=O)C1CCC2(C)C3CC(C)(C)C3CCC12C,"InChI=1/C17H28O/c1-11(18)12-6-8-17(5)14-10-15(2,3)13(14)7-9-16(12,17)4/h12-14H,6-10H2,1-5H3",C17H28O,,,,,,VKULDVJHYSRIAM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.645,281-034-5,83846-57-5,"Tetrasodium 3,3'-[(1-amino-8-hydroxy-3,6-disulphonatonaphthalene-2,7-diyl)bis(azo-4,1-phenyleneazo)]bis[6-hydroxybenzoate]","tetrasodium 3,3'-[(1-amino-8-hydroxy-3,6-disulfonatonaphthalene-2,7-diyl)bis(diazene-2,1-diyl-4,1-phenylenediazene-2,1-diyl)]bis(6-hydroxybenzoate)",[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc6ccc(N=Nc5c(cc4cc(c(N=Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)cc6,[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc6ccc(N=Nc5c(cc4cc(c(N=Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)cc6,"InChI=1/C36H25N9O13S2.4Na/c37-31-30-17(13-28(59(53,54)55)32(31)44-40-20-5-1-18(2-6-20)38-42-22-9-11-26(46)24(15-22)35(49)50)14-29(60(56,57)58)33(34(30)48)45-41-21-7-3-19(4-8-21)39-43-23-10-12-27(47)25(16-23)36(51)52;;;;/h1-16,46-48H,37H2,(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4",C36H25N9O13S2.4Na,,,,,,REOKHXKWHMCABB-UHFFFAOYSA-J,,,,,,,,,,,
100.073.868,281-279-8,83898-67-3,"4-[4,4-bis(4-fluorophenyl)butyl]-3-carbamoyl-N-(2,6-dichlorophenyl)piperazine-1-acetamide dihydrochloride","1-[4,4-bis(4-fluorophenyl)butyl]-4-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}piperazine-2-carboxamide dihydrochloride",Cl.Cl.NC(=O)C1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1CCCC(c3ccc(F)cc3)c4ccc(F)cc4,Cl.Cl.NC(=O)C1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1CCCC(c3ccc(F)cc3)c4ccc(F)cc4,"InChI=1/C29H30Cl2F2N4O2.2ClH/c30-24-4-1-5-25(31)28(24)35-27(38)18-36-15-16-37(26(17-36)29(34)39)14-2-3-23(19-6-10-21(32)11-7-19)20-8-12-22(33)13-9-20;;/h1,4-13,23,26H,2-3,14-18H2,(H2,34,39)(H,35,38);2*1H",C29H30Cl2F2N4O2.2ClH,,,,,,MTGXEWVJNCWUJP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.829,283-440-8,84642-63-7,"2,5-diethyltetrahydro-2H-pyran-2-methanol","(2,5-diethyltetrahydro-2H-pyran-2-yl)methanol",CCC1CCC(CC)(CO)OC1,CCC1CCC(CC)(CO)OC1,"InChI=1/C10H20O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h9,11H,3-8H2,1-2H3",C10H20O2,,,,,,JNABADRJMWPQMU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.830,283-441-3,84642-64-8,"ß,<U+03B3>,4-trimethylcyclohexanepropanol",2-methyl-3-(4-methylcyclohexyl)butan-1-ol,CC(CO)C(C)C1CCC(C)CC1,CC(CO)C(C)C1CCC(C)CC1,"InChI=1/C12H24O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h9-13H,4-8H2,1-3H3",C12H24O,,,,,,JADYNECLVZHQIE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.698,284-398-3,84878-08-0,(p-chlorobenzyl)[2-(dodecylamino)-2-oxoethyl]dimethylammonium chloride,"N-(4-chlorobenzyl)-2-(dodecylamino)-N,N-dimethyl-2-oxoethanaminium chloride",[Cl-].CCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccc(Cl)cc1,[Cl-].CCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccc(Cl)cc1,"InChI=1/C23H39ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-18-25-23(27)20-26(2,3)19-21-14-16-22(24)17-15-21;/h14-17H,4-13,18-20H2,1-3H3;1H",C23H40ClN2O.Cl,,,,,,UZKCYOSMAZCOCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.708,284-409-1,84878-19-3,Butylammonium 4-[(2-hydroxy-1-naphthyl)azo]-3-methylbenzenesulphonate,butan-1-aminium 4-[(2-hydroxy-1-naphthyl)diazenyl]-3-methylbenzenesulfonate,[NH3+]CCCC.[O-]S(=O)(=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3,[NH3+]CCCC.[O-]S(=O)(=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3,"InChI=1/C17H14N2O4S.C4H11N/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20;1-2-3-4-5/h2-10,20H,1H3,(H,21,22,23);2-5H2,1H3",C17H14N2O4S.C4H11N,,,,,,MMLCHXYJFMBYOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.731,284-434-8,84878-42-2,1-[[[(aminophenyl)methyl]phenyl]amino]-3-phenoxypropan-2-ol,1-{[2-(2-aminobenzyl)phenyl]amino}-3-phenoxypropan-2-ol,Nc1ccccc1Cc2ccccc2NCC(O)COc3ccccc3,Nc1ccccc1Cc2ccccc2NCC(O)COc3ccccc3,"InChI=1/C22H24N2O2/c23-21-12-6-4-8-17(21)14-18-9-5-7-13-22(18)24-15-19(25)16-26-20-10-2-1-3-11-20/h1-13,19,24-25H,14-16,23H2",C22H24N2O2,,,,,,OGWYQTHMXLXCOH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.732,284-435-3,84878-43-3,[[(6-aminohexyl)amino]methyl]dimethylphenol,"2-{[(6-aminohexyl)amino]methyl}-3,4-dimethylphenol",Cc1ccc(O)c(CNCCCCCCN)c1C,Cc1ccc(O)c(CNCCCCCCN)c1C,"InChI=1/C15H26N2O/c1-12-7-8-15(18)14(13(12)2)11-17-10-6-4-3-5-9-16/h7-8,17-18H,3-6,9-11,16H2,1-2H3",C15H26N2O,,,,,,VSYBJJHDKLKCLK-UHFFFAOYSA-N,,,,,,,,,,,
100.076.734,284-437-4,84878-45-5,"(13-amino-2,5,8,11-tetraazatridec-1-yl)dimethylphenol","2-(13-amino-2,5,8,11-tetraazatridec-1-yl)-3,4-dimethylphenol",Cc1ccc(O)c(CNCCNCCNCCNCCN)c1C,Cc1ccc(O)c(CNCCNCCNCCNCCN)c1C,"InChI=1/C17H33N5O/c1-14-3-4-17(23)16(15(14)2)13-22-12-11-21-10-9-20-8-7-19-6-5-18/h3-4,19-23H,5-13,18H2,1-2H3",C17H33N5O,,,,,,DMHIGFVBFKTOFO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.736,284-440-0,84878-47-7,[[[[(aminophenyl)methyl]phenyl]amino]methyl]phenol,2-({[2-(2-aminobenzyl)phenyl]amino}methyl)phenol,Nc1ccccc1Cc2ccccc2NCc3ccccc3O,Nc1ccccc1Cc2ccccc2NCc3ccccc3O,"InChI=1/C20H20N2O/c21-18-10-4-1-7-15(18)13-16-8-2-5-11-19(16)22-14-17-9-3-6-12-20(17)23/h1-12,22-23H,13-14,21H2",C20H20N2O,,,,,,CPFZPORDJIEQNC-UHFFFAOYSA-N,,,,,,,,,,,
100.076.739,284-443-7,84878-50-2,Calcium bis(octylphenolate),calcium bis(2-octylphenolate),[Ca+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-],[Ca+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-],"InChI=1/2C14H22O.Ca/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h2*8-9,11-12,15H,2-7,10H2,1H3;/q;;+2/p-2",C14H22O.1/2Ca,,,,,,XCDBCJMMRGQLCR-UHFFFAOYSA-L,,,,,,,,,,,
100.070.543,277-620-5,73833-37-1,"2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]henicosan-21-one hydrochloride","2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]henicosan-21-one hydrochloride",Cl.CC1(C)CC2(CC(C)(C)N1)OC3(CCCCCCCCCCC3)NC2=O,Cl.CC1(C)CC2(CC(C)(C)N1)OC3(CCCCCCCCCCC3)NC2=O,"InChI=1/C22H40N2O2.ClH/c1-19(2)16-21(17-20(3,4)24-19)18(25)23-22(26-21)14-12-10-8-6-5-7-9-11-13-15-22;/h24H,5-17H2,1-4H3,(H,23,25);1H",C22H40N2O2.xClH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/4843,https://echa.europa.eu/substance-information/-/substanceinfo/100.070.543,WDYILXILZIOIPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.553,277-631-5,73910-97-1,"4-[2,6-bis(4-chlorophenyl)-4-pyridyl]-N,N-dimethylaniline","4-[2,6-bis(4-chlorophenyl)pyridin-4-yl]-N,N-dimethylaniline",CN(C)c1ccc(cc1)c2cc(nc(c2)c3ccc(Cl)cc3)c4ccc(Cl)cc4,CN(C)c1ccc(cc1)c2cc(nc(c2)c3ccc(Cl)cc3)c4ccc(Cl)cc4,"InChI=1/C25H20Cl2N2/c1-29(2)23-13-7-17(8-14-23)20-15-24(18-3-9-21(26)10-4-18)28-25(16-20)19-5-11-22(27)12-6-19/h3-16H,1-2H3",C25H20Cl2N2,,,,,,YDPVTJYRGIAUIY-UHFFFAOYSA-N,,,,,,,,,,,
100.070.556,277-634-1,73912-24-0,"4-[1-[4-[(4,8-dicyclohexyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-yl)oxy]phenyl]isopropyl]phenol","4-(1-{4-[(4,8-dicyclohexyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-yl)oxy]phenyl}-1-methylethyl)phenol",Cc1cc2Cc3cc(C)cc(C4CCCCC4)c3OP(Oc5ccc(cc5)C(C)(C)c6ccc(O)cc6)Oc2c(c1)C7CCCCC7,Cc1cc2Cc3cc(C)cc(C4CCCCC4)c3OP(Oc5ccc(cc5)C(C)(C)c6ccc(O)cc6)Oc2c(c1)C7CCCCC7,"InChI=1/C42H49O4P/c1-28-23-32-27-33-24-29(2)26-39(31-13-9-6-10-14-31)41(33)46-47(45-40(32)38(25-28)30-11-7-5-8-12-30)44-37-21-17-35(18-22-37)42(3,4)34-15-19-36(43)20-16-34/h15-26,30-31,43H,5-14,27H2,1-4H3",C42H49O4P,,,,,,SVTSAXSWFMCSCB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.560,277-638-3,73927-98-7,"Tributyl(2,4,5-trichlorophenoxy)stannane","tributyl(2,4,5-trichlorophenoxy)stannane",CCCC[Sn](CCCC)(CCCC)Oc1cc(Cl)c(Cl)cc1Cl,CCCC[Sn](CCCC)(CCCC)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C6H3Cl3O.3C4H9.Sn/c7-3-1-5(9)6(10)2-4(3)8;3*1-3-4-2;/h1-2,10H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H29Cl3OSn/c1-4-7-10-23(11-8-5-2,12-9-6-3)22-18-14-16(20)15(19)13-17(18)21/h13-14H,4-12H2,1-3H3",C18H29Cl3OSn,,,,,,FJUXTGREXZMJIU-UHFFFAOYSA-M,,,,,,,,,,,
100.073.543,280-920-9,83803-99-0,"3-[[4-[[diamino(phenylazo)phenyl]azo]-m-tolyl]azo]-N,N,N-trimethylanilinium chloride","3-[(4-{[2,3-diamino-4-(phenyldiazenyl)phenyl]diazenyl}-3-methylphenyl)diazenyl]-N,N,N-trimethylanilinium chloride",[Cl-].Nc4c(N=Nc1ccccc1)ccc(N=Nc3ccc(N=Nc2cccc(c2)[N+](C)(C)C)cc3C)c4N,[Cl-].Nc4c(N=Nc1ccccc1)ccc(N=Nc3ccc(N=Nc2cccc(c2)[N+](C)(C)C)cc3C)c4N,"InChI=1/C28H30N9.ClH/c1-19-17-22(33-32-21-11-8-12-23(18-21)37(2,3)4)13-14-24(19)34-36-26-16-15-25(27(29)28(26)30)35-31-20-9-6-5-7-10-20;/h5-18H,29-30H2,1-4H3;1H/q+1;/p-1",C28H30N9.Cl,,,,,,MIRUQSHDONYKQP-UHFFFAOYSA-M,,,,,,,,,,,
100.072.316,279-572-0,80822-78-2,"Bis(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl) ketone","bis(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methanone",CCN1CCCc2cc(ccc12)C(=O)c3ccc4N(CC)CCCc4c3,CCN1CCCc2cc(ccc12)C(=O)c3ccc4N(CC)CCCc4c3,"InChI=1/C23H28N2O/c1-3-24-13-5-7-17-15-19(9-11-21(17)24)23(26)20-10-12-22-18(16-20)8-6-14-25(22)4-2/h9-12,15-16H,3-8,13-14H2,1-2H3",C23H28N2O,,,,,,SXTAHUUIDOMSPN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.317,279-573-6,80822-79-3,Barium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-1-hydroxy-2-naphthoate,barium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-1-hydroxy-2-naphthoate,[Ba+2].Cc1cc(c(cc1Cl)N=Nc3cc(C([O-])=O)c(O)c2ccccc23)S([O-])(=O)=O,[Ba+2].Cc1cc(c(cc1Cl)N=Nc3cc(C([O-])=O)c(O)c2ccccc23)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Ba/c1-9-6-16(28(25,26)27)15(8-13(9)19)21-20-14-7-12(18(23)24)17(22)11-5-3-2-4-10(11)14;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Ba,,,,,,MZSIIPLGVDMEFJ-UHFFFAOYSA-L,,,,,,,,,,,
100.072.326,279-583-0,80866-79-1,1-(p-chlorophenyl)cyclopentanemethanol,[1-(4-chlorophenyl)cyclopentyl]methanol,OCC1(CCCC1)c2ccc(Cl)cc2,OCC1(CCCC1)c2ccc(Cl)cc2,"InChI=1/C12H15ClO/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6,14H,1-2,7-9H2",C12H15ClO,,,,,,JPVGEFSYKNYYAU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.327,279-584-6,80866-80-4,2-chloro-5-nitrobenzyl alcohol,(2-chloro-5-nitrophenyl)methanol,OCc1cc(ccc1Cl)[N+](=O)[O-],OCc1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C7H6ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2",C7H6ClNO3,,,,,,NNLQYDLTFRXAKD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.329,279-586-7,80866-82-6,5-bromo-2-methoxybenzyl alcohol,(5-bromo-2-methoxyphenyl)methanol,COc1ccc(Br)cc1CO,COc1ccc(Br)cc1CO,"InChI=1/C8H9BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3",C8H9BrO2,,,,,,HAOOGRLZVQWDBY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.331,279-588-8,80866-84-8,1-ethyl-3-hydroxypyridinium bromide,1-ethyl-3-hydroxypyridinium bromide,[Br-].CC[n+]1cccc(O)c1,[Br-].CC[n+]1cccc(O)c1,"InChI=1/C7H9NO.BrH/c1-2-8-5-3-4-7(9)6-8;/h3-6H,2H2,1H3;1H",C7H10NO.Br,,,,,,ZGQVRFVHWWFKRP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.335,279-593-5,80866-88-2,3-methoxy-4-nitrobenzyl alcohol,(3-methoxy-4-nitrophenyl)methanol,COc1cc(CO)ccc1[N+](=O)[O-],COc1cc(CO)ccc1[N+](=O)[O-],"InChI=1/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3",C8H9NO4,,,,,,AADYWCBPJZAJNU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.342,279-600-1,80867-04-5,"5,6-bis(hexyloxy)-2,3-dihydro-2-[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]-1H-inden-1-one","5,6-bis(hexyloxy)-2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene)indan-1-one",CCCCCCOc1cc2C(=O)C(Cc2cc1OCCCCCC)=Cc3cc4CCCN5CCCc(c3)c45,CCCCCCOc1cc2C(=O)C(Cc2cc1OCCCCCC)=Cc3cc4CCCN5CCCc(c3)c45,"InChI=1/C34H45NO3/c1-3-5-7-9-17-37-31-23-28-22-29(34(36)30(28)24-32(31)38-18-10-8-6-4-2)21-25-19-26-13-11-15-35-16-12-14-27(20-25)33(26)35/h19-21,23-24H,3-18,22H2,1-2H3",C34H45NO3,,,,,,PIGOZIWDRXVYIB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.344,279-602-2,80867-06-7,"2-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-5-methoxyindan-1-one","5-methoxy-2-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]indan-1-one",COc1ccc2C(=O)C(Cc2c1)=CC=C4N(C)c3ccccc3C4(C)C,COc1ccc2C(=O)C(Cc2c1)=CC=C4N(C)c3ccccc3C4(C)C,"InChI=1/C23H23NO2/c1-23(2)19-7-5-6-8-20(19)24(3)21(23)12-9-15-13-16-14-17(26-4)10-11-18(16)22(15)25/h5-12,14H,13H2,1-4H3",C23H23NO2,,,,,,ZPOYEVJBRHNQGP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.345,279-603-8,80867-10-3,(2-hydroxyethyl)ammonium 5-methylheptyl sulphate,2-hydroxyethanaminium 5-methylheptyl sulfate,CCC(C)CCCCOS(=O)(=O)[O-].[NH3+]CCO,CCC(C)CCCCOS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C8H18O4S.C2H7NO/c1-3-8(2)6-4-5-7-12-13(9,10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H,9,10,11);4H,1-3H2",C8H18O4S.C2H7NO,,,,,,NZCZUPAFGKZIFY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.419,282-986-4,84501-67-7,"1-(2-bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one","1-(2-bromoethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one",CCN1N=NN(CCBr)C1=O,CCN1N=NN(CCBr)C1=O,"InChI=1/C5H9BrN4O/c1-2-9-5(11)10(4-3-6)8-7-9/h2-4H2,1H3",C5H9BrN4O,,,,,,KQKSCWCKLKLXJS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.430,282-999-5,84522-03-2,"2-ethylhexyl dihydrogen phosphate, compound with morpholine (1:2)",2-ethylhexyl dihydrogen phosphate - morpholine (1:2),CCC(CCCC)COP(O)(O)=O.C1COCCN1.C1CNCCO1,CCC(CCCC)COP(O)(O)=O.C1COCCN1.C1CNCCO1,"InChI=1/C8H19O4P.2C4H9NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;2*1-3-6-4-2-5-1/h8H,3-7H2,1-2H3,(H2,9,10,11);2*5H,1-4H2",C8H19O4P.2C4H9NO,,,,,,ORRSKCIFSBNFJM-UHFFFAOYSA-N,,,,,,,,,,,
100.076.543,284-227-2,84824-76-0,1H-imidazole-4-carbodithioic acid,1H-imidazole-4-carbodithioic acid,SC(=S)c1c[nH]cn1,SC(=S)c1c[nH]cn1,"InChI=1/C4H4N2S2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)",C4H4N2S2,,,,,,RAUHREXYGRKIOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.702,274-495-9,70247-25-5,"4'-(decyloxy)[1,1'-biphenyl]-4-carbonitrile",4'-(decyloxy)biphenyl-4-carbonitrile,CCCCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,CCCCCCCCCCOc1ccc(cc1)c2ccc(cc2)C#N,"InChI=1/C23H29NO/c1-2-3-4-5-6-7-8-9-18-25-23-16-14-22(15-17-23)21-12-10-20(19-24)11-13-21/h10-17H,2-9,18H2,1H3",C23H29NO,,,,,,VCYXELFOIWRYLA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.858,275-768-5,71648-38-9,2-(phenylmethylene)heptyl butyrate,2-benzylideneheptyl butyrate,CCCC(=O)OCC(=Cc1ccccc1)CCCCC,CCCC(=O)OCC(=Cc1ccccc1)CCCCC,"InChI=1/C18H26O2/c1-3-5-7-13-17(15-20-18(19)10-4-2)14-16-11-8-6-9-12-16/h6,8-9,11-12,14H,3-5,7,10,13,15H2,1-2H3",C18H26O2,,,,,,ZWBLIRYRNUJIKV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.751,272-347-8,68814-95-9,"Amines, tri-C8-10-alkyl","N,N-dinonylnonan-1-amine",CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC,CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC,"InChI=1/C27H57N/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10480,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.751,ZQJAONQEOXOVNR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.538,274-315-9,70103-32-1,3-hydroxybutyl methacrylate,3-hydroxybutyl methacrylate,CC(O)CCOC(=O)C(=C)C,CC(O)CCOC(=O)C(=C)C,"InChI=1/C8H14O3/c1-6(2)8(10)11-5-4-7(3)9/h7,9H,1,4-5H2,2-3H3",C8H14O3,,,,,,VHNJXLWRTQNIPD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.545,274-323-2,70124-98-0,2-(4-hydroxyphenyl)-3-methylbutyric acid,2-(4-hydroxyphenyl)-3-methylbutanoic acid,CC(C)C(C(=O)O)c1ccc(O)cc1,CC(C)C(C(=O)O)c1ccc(O)cc1,"InChI=1/C11H14O3/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10,12H,1-2H3,(H,13,14)",C11H14O3,,,,,,GDBITPXOESTAML-UHFFFAOYSA-N,,,,,,,,,,,
100.067.555,274-334-2,70141-41-2,"6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregn-4-ene-3,20-dione 21-pivalate","6,9-difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregn-4-en-21-yl pivalate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H38F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h10,14,16-17,19-20,31,34H,7-9,11-13H2,1-6H3",C27H38F2O6,,,,,,QBXIYKBVNIQEKQ-OJAGFMMFSA-N,,,,,,,,,,,
100.067.566,274-346-8,70158-20-2,2-ethylhexyl 4-oxovalerate,2-ethylhexyl 4-oxopentanoate,CCCCC(CC)COC(=O)CCC(=O)C,CCCCC(CC)COC(=O)CCC(=O)C,"InChI=1/C13H24O3/c1-4-6-7-12(5-2)10-16-13(15)9-8-11(3)14/h12H,4-10H2,1-3H3",C13H24O3,,,,,,XCYQOBFKQPQEMV-UHFFFAOYSA-N,,,,,,,,,,,
100.067.733,274-530-8,70283-04-4,(Z)-N-pyren-1-yl-9-octadecenamide,N-pyren-1-yloctadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)Nc1ccc2ccc3cccc4ccc1c2c34,CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccc2ccc3cccc4ccc1c2c34,"InChI=1/C34H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32(36)35-31-26-24-29-22-21-27-18-17-19-28-23-25-30(31)34(29)33(27)28/h9-10,17-19,21-26H,2-8,11-16,20H2,1H3,(H,35,36)",C34H43NO,,,,,,WPMOMVAOAJIBNR-KTKRTIGZSA-N,,,,,,,,,,,
100.067.747,274-546-5,70289-39-3,p-bromo-a-cyclopropylbenzyl alcohol,(4-bromophenyl)(cyclopropyl)methanol,OC(C1CC1)c2ccc(Br)cc2,OC(C1CC1)c2ccc(Br)cc2,"InChI=1/C10H11BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2",C10H11BrO,,,,,,PLVQKMYLBFYJHT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.748,274-547-0,70293-55-9,"2-[(2-methyl-1-oxoallyl)oxy]ethyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate","2-(methacryloyloxy)ethyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate",CC(=C)C(=O)OCCOC(=O)c1ccc2C(=O)OC(=O)c2c1,CC(=C)C(=O)OCCOC(=O)c1ccc2C(=O)OC(=O)c2c1,"InChI=1/C15H12O7/c1-8(2)12(16)20-5-6-21-13(17)9-3-4-10-11(7-9)15(19)22-14(10)18/h3-4,7H,1,5-6H2,2H3",C15H12O7,,,,,,RMCCONIRBZIDTH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.501,276-473-4,72208-24-3,"3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]propyltrimethylammonium methyl sulphate","3-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-N,N,N-trimethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CCCNc1cc(Br)c(N)c2C(=O)c3ccccc3C(=O)c12,COS(=O)(=O)[O-].C[N+](C)(C)CCCNc1cc(Br)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H22BrN3O2.CH4O4S/c1-24(2,3)10-6-9-23-15-11-14(21)18(22)17-16(15)19(25)12-7-4-5-8-13(12)20(17)26;1-5-6(2,3)4/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2-,22,23,25,26);1H3,(H,2,3,4)",C20H23BrN3O2.CH3O4S,,,,,,BCNZBZUJWPWUFE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.656,271-143-6,68516-29-0,(E)-tetrahydro-2-(12-tetradecen-9-ynyloxy)-2H-pyran,2-(tetradec-12-en-9-yn-1-yloxy)tetrahydro-2H-pyran,C\\C=C\\CC#CCCCCCCCCOC1CCCCO1,C\C=C\CC#CCCCCCCCCOC1CCCCO1,"InChI=1/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h2-3,19H,4,7-18H2,1H3",C19H32O2,,,,,,BKLBFHDEWXBINW-NSCUHMNNSA-N,,,,,,,,,,,
100.064.658,271-145-7,68516-31-4,Hexadecyl 4-chlorobutyrate,hexadecyl 4-chlorobutanoate,CCCCCCCCCCCCCCCCOC(=O)CCCCl,CCCCCCCCCCCCCCCCOC(=O)CCCCl,"InChI=1/C20H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-20(22)17-16-18-21/h2-19H2,1H3",C20H39ClO2,,,,,,AIPUZHUOTILFRS-UHFFFAOYSA-N,,,,,,,,,,,
100.064.659,271-146-2,68516-32-5,(E)-tetradec-11-en-9-ynol,tetradec-11-en-9-yn-1-ol,CC\\C=C\\C#CCCCCCCCCO,CC\C=C\C#CCCCCCCCCO,"InChI=1/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,15H,2,7-14H2,1H3",C14H24O,,,,,,UVAMCLKTVDSLIH-ONEGZZNKSA-N,,,,,,,,,,,
100.071.769,278-969-6,78697-20-8,Sodium p-benzoyltoluene-a-sulphonate,sodium (4-benzoylphenyl)methanesulfonate,[Na+].[O-]S(=O)(=O)Cc1ccc(cc1)C(=O)c2ccccc2,[Na+].[O-]S(=O)(=O)Cc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C14H12O4S.Na/c15-14(12-4-2-1-3-5-12)13-8-6-11(7-9-13)10-19(16,17)18;/h1-9H,10H2,(H,16,17,18);/q;+1/p-1",C14H12O4S.Na,,,,,,NUFPFGYOLACNDJ-UHFFFAOYSA-M,,,,,,,,,,,
100.071.770,278-970-1,78697-23-1,Trimethyl[p-(oxophenylacetyl)benzyl]ammonium bromide,"N,N,N-trimethyl{4-[oxo(phenyl)acetyl]phenyl}methanaminium bromide",[Br-].C[N+](C)(C)Cc1ccc(cc1)C(=O)C(=O)c2ccccc2,[Br-].C[N+](C)(C)Cc1ccc(cc1)C(=O)C(=O)c2ccccc2,"InChI=1/C18H20NO2.BrH/c1-19(2,3)13-14-9-11-16(12-10-14)18(21)17(20)15-7-5-4-6-8-15;/h4-12H,13H2,1-3H3;1H/q+1;/p-1",C18H20NO2.Br,,,,,,MSKRVURSTJTJTH-UHFFFAOYSA-M,,,,,,,,,,,
100.071.778,278-979-0,78739-59-0,Sodium N-[(4-aminophenyl)sulphonyl]-3-methylbut-2-enamide,-,[Na+].CC(=CC(=O)NS(=O)(=O)c1ccc(N)cc1)C,[Na+].CC(=CC(=O)NS(=O)(=O)c1ccc(N)cc1)C,"InChI=1/C11H14N2O3S.Na/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10;/h3-7H,12H2,1-2H3,(H,13,14);/q;+1",C11H14N2O3S.Na,,,,,,VNNLJGVXYWPBLE-UHFFFAOYSA-N,,,,,,,,,,,
100.071.780,278-981-1,78752-11-1,1-(allyloxy)-3-(dimethylamino)propan-2-ol,1-(allyloxy)-3-(dimethylamino)propan-2-ol,CN(C)CC(O)COCC=C,CN(C)CC(O)COCC=C,"InChI=1/C8H17NO2/c1-4-5-11-7-8(10)6-9(2)3/h4,8,10H,1,5-7H2,2-3H3",C8H17NO2,,,,,,BGQFHIFQXIMEJB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.781,278-982-7,78761-59-8,"11a,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione","11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3",C22H30O5,,,,,,WNYLPFCKNQAAMB-JPDWDDBRSA-N,,,,,,,,,,,
100.071.789,278-991-6,78833-05-3,a-[2-[bis(isopropyl)amino]ethyl]-a-isobutylpyridine-2-acetonitrile,2-[2-(diisopropylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanenitrile,CC(C)CC(CCN(C(C)C)C(C)C)(C#N)c1ccccn1,CC(C)CC(CCN(C(C)C)C(C)C)(C#N)c1ccccn1,"InChI=1/C19H31N3/c1-15(2)13-19(14-20,18-9-7-8-11-21-18)10-12-22(16(3)4)17(5)6/h7-9,11,15-17H,10,12-13H2,1-6H3",C19H31N3,,,,,,PKPIMMSNMGWNHK-UHFFFAOYSA-N,,,,,,,,,,,
100.071.795,278-997-9,78880-63-4,"10-nitro-5H-dibenz[b,f]azepine-5-carbonitrile","10-nitro-5H-dibenzo[b,f]azepine-5-carbonitrile",[O-][N+](=O)C1=Cc2ccccc2N(C#N)c3ccccc13,[O-][N+](=O)C1=Cc2ccccc2N(C#N)c3ccccc13,InChI=1/C15H9N3O2/c16-10-17-13-7-3-1-5-11(13)9-15(18(19)20)12-6-2-4-8-14(12)17/h1-9H,C15H9N3O2,,,,,,HENMVDHJHVQKCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.806,279-010-4,78946-83-5,"(14R*,18R*)-14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane","14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane",CC1CNCC(C)OCCOCCOCCOCCO1,CC1CNCC(C)OCCOCCOCCOCCO1,"InChI=1/C14H29NO5/c1-13-11-15-12-14(2)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h13-15H,3-12H2,1-2H3",C14H29NO5,,,,,,FVBSVZZRWQOUPT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.058,284-795-1,84962-94-7,"3-[bis(2-hydroxyethyl)amino]propane-1,2-diol, compound with sulphur dioxide (1:1)","3-[bis(2-hydroxyethyl)amino]propane-1,2-diol - oxosulfane oxide (1:1)",OCCN(CCO)CC(O)CO.O=S=O,OCCN(CCO)CC(O)CO.O=S=O,"InChI=1/C7H17NO4.O2S/c9-3-1-8(2-4-10)5-7(12)6-11;1-3-2/h7,9-12H,1-6H2;",C7H17NO4.O2S,,,,,,JWWHBURXUDYTGO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.059,284-796-7,84962-95-8,Methyl 3-(dimethoxymethylsilyl)isobutyrate,methyl 3-[(dimethoxymethyl)silyl]-2-methylpropanoate,COC(OC)[SiH2]CC(C)C(=O)OC,COC(OC)[SiH2]CC(C)C(=O)OC,"InChI=1/C8H18O4Si/c1-6(7(9)10-2)5-13-8(11-3)12-4/h6,8H,5,13H2,1-4H3",C8H18O4Si,,,,,,LKFWGIAEKZLABF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.060,284-797-2,84962-96-9,"Dimethyl 3,3'-(1,3-dimethoxy-1,3-dimethyl-1,3-disiloxanediyl)bis[2-methylpropionate]","dimethyl 3,3'-(1,3-dimethoxy-1,3-dimethyldisiloxane-1,3-diyl)bis(2-methylpropanoate)",COC(=O)C(C)C[Si](C)(OC)O[Si](C)(CC(C)C(=O)OC)OC,COC(=O)C(C)C[Si](C)(OC)O[Si](C)(CC(C)C(=O)OC)OC,"InChI=1/C14H30O7Si2/c1-11(13(15)17-3)9-22(7,19-5)21-23(8,20-6)10-12(2)14(16)18-4/h11-12H,9-10H2,1-8H3",C14H30O7Si2,,,,,,QFJMYGJCVAZGRH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.064,284-801-2,84963-00-8,"N,N'-bis[3-(dimethoxymethylsilyl)-2-methylpropyl]ethylenediamine","N,N'-bis{3-[dimethoxy(methyl)silyl]-2-methylpropyl}ethane-1,2-diamine",CO[Si](C)(CC(C)CNCCNCC(C)C[Si](C)(OC)OC)OC,CO[Si](C)(CC(C)CNCCNCC(C)C[Si](C)(OC)OC)OC,"InChI=1/C16H40N2O4Si2/c1-15(13-23(7,19-3)20-4)11-17-9-10-18-12-16(2)14-24(8,21-5)22-6/h15-18H,9-14H2,1-8H3",C16H40N2O4Si2,,,,,,JLMMYHBYCKHJGX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.068,284-805-4,84963-04-2,5-[[[(4-sulphophenyl)amino]carbonyl]amino]anthranilic acid,2-amino-5-{[(4-sulfophenyl)carbamoyl]amino}benzoic acid,Nc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)O)cc1C(=O)O,Nc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)O)cc1C(=O)O,"InChI=1/C14H13N3O6S/c15-12-6-3-9(7-11(12)13(18)19)17-14(20)16-8-1-4-10(5-2-8)24(21,22)23/h1-7H,15H2,(H,18,19)(H2,16,17,20)(H,21,22,23)",C14H13N3O6S,,,,,,AYJSFXBARFQKLV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.562,277-640-4,73931-88-1,2-(1H-imidazol-1-yl)-1-[4-(2-phenylethyl)phenyl]ethan-1-one,2-(1H-imidazol-1-yl)-1-[4-(2-phenylethyl)phenyl]ethanone,O=C(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,O=C(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,"InChI=1/C19H18N2O/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,15H,6-7,14H2",C19H18N2O,,,,,,FHCUFTBEPZKVMR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.567,277-646-7,73941-33-0,Methyl 1-benzyl-1H-imidazole-5-carboxylate,methyl 1-benzyl-1H-imidazole-5-carboxylate,COC(=O)c1cncn1Cc2ccccc2,COC(=O)c1cncn1Cc2ccccc2,"InChI=1/C12H12N2O2/c1-16-12(15)11-7-13-9-14(11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3",C12H12N2O2,,,,,,DOTNQIPIURWNFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.070.573,277-653-5,73960-07-3,p-(difluoromethoxy)benzaldehyde,4-(difluoromethoxy)benzaldehyde,FC(F)Oc1ccc(C=O)cc1,FC(F)Oc1ccc(C=O)cc1,"InChI=1/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H",C8H6F2O2,,,,,,ZWCXOJYJJINQGU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.575,277-655-6,73981-11-0,4'-(dimethylamino)-2'-hydroxychalcone,1-[4-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one,CN(C)c1ccc(C(=O)\\C=C\\c2ccccc2)c(O)c1,CN(C)c1ccc(C(=O)\C=C\c2ccccc2)c(O)c1,"InChI=1/C17H17NO2/c1-18(2)14-9-10-15(17(20)12-14)16(19)11-8-13-6-4-3-5-7-13/h3-12,20H,1-2H3",C17H17NO2,,,,,,AAGLVZPFFWULCV-DHZHZOJOSA-N,,,,,,,,,,,
100.063.231,269-575-5,68298-50-0,"2,2-dimethoxyundecane","2,2-dimethoxyundecane",CCCCCCCCCC(C)(OC)OC,CCCCCCCCCC(C)(OC)OC,"InChI=1/C13H28O2/c1-5-6-7-8-9-10-11-12-13(2,14-3)15-4/h5-12H2,1-4H3",C13H28O2,,,,,,YNICHAOCDICNOT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.235,269-579-7,68298-74-8,2-[[[[5-[[[2-[ethyl[(tridecafluorohexyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(5-{[(2-{ethyl[(tridecafluorohexyl)sulfonyl]amino}ethoxy)carbonyl]amino}-2-methylphenyl)carbamoyl]oxy}propyl methacrylate,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)COC(=O)C(=C)C)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C26H28F13N3O8S/c1-6-42(51(46,47)26(38,39)24(33,34)22(29,30)21(27,28)23(31,32)25(35,36)37)9-10-48-19(44)40-16-8-7-14(4)17(11-16)41-20(45)50-15(5)12-49-18(43)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,40,44)(H,41,45)",C26H28F13N3O8S,,,,,,XCLCXQRFYCAXDN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.241,269-586-5,68298-90-8,"Disodium hexaammonium [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","hexaammonium disodium {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.6H3N.2Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);6*1H3;;/q;;;;;;;2*+1/p-2",C10H28N2O12P4.6H3N.2Na,,,,,,YALAKXVWXYKPMD-UHFFFAOYSA-L,,,,,,,,,,,
100.063.248,269-593-3,68299-02-5,Tris(2-hydroxyethyl)ammonium hydroxyacetate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium glycolate",OCC[NH+](CCO)CCO.OCC(=O)[O-],OCC[NH+](CCO)CCO.OCC(=O)[O-],"InChI=1/C6H15NO3.C2H4O3/c8-4-1-7(2-5-9)3-6-10;3-1-2(4)5/h8-10H,1-6H2;3H,1H2,(H,4,5)",C6H15NO3.C2H4O3,,,,,,PQJDLYIRTTVMCS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.261,269-608-3,68299-27-4,Pentabromo-ß-(tetrabromochlorophenoxy)phenetole,"1,2,3,4,5-pentabromo-6-[2-(2,3,4,5-tetrabromo-6-chlorophenoxy)ethoxy]benzene",Clc1c(Br)c(Br)c(Br)c(Br)c1OCCOc2c(Br)c(Br)c(Br)c(Br)c2Br,Clc1c(Br)c(Br)c(Br)c(Br)c1OCCOc2c(Br)c(Br)c(Br)c(Br)c2Br,InChI=1/C14H4Br9ClO2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2,C14H4Br9ClO2,,,,,,IZPUDUNKMAMNJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.835,283-447-6,84642-69-3,"1,3-diamino-7-(diethylammonio)-4-methylphenoxazin-5-ium tetrachlorozincate(2-)","1,3-diamino-7-(diethylammonio)-4-methylphenoxazin-5-ium tetrachlorozincate(2-)",CC[NH+](CC)c1ccc2nc3c(N)cc(N)c(C)c3[o+]c2c1.Cl[Zn-2](Cl)(Cl)Cl,CC[NH+](CC)c1ccc2nc3c(N)cc(N)c(C)c3[o+]c2c1.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/C17H21N4O.4ClH.Zn/c1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14;;;;;/h6-9H,4-5,18-19H2,1-3H3;4*1H;/q+1;;;;;+2/p-3/rC17H21N4O.Cl4Zn/c1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14;1-5(2,3)4/h6-9H,4-5,18-19H2,1-3H3;/q+1;-2/p+1",C17H21N4O.Cl4Zn,,,,,,MJQMEHNJPRMZLG-UHFFFAOYSA-K,,,,,,,,,,,
100.075.837,283-449-7,84642-71-7,Tris(4-ethyl-o-tolyl) phosphate,tris(4-ethyl-2-methylphenyl) phosphate,CCc1ccc(OP(=O)(Oc2ccc(CC)cc2C)Oc3ccc(CC)cc3C)c(C)c1,CCc1ccc(OP(=O)(Oc2ccc(CC)cc2C)Oc3ccc(CC)cc3C)c(C)c1,"InChI=1/C27H33O4P/c1-7-22-10-13-25(19(4)16-22)29-32(28,30-26-14-11-23(8-2)17-20(26)5)31-27-15-12-24(9-3)18-21(27)6/h10-18H,7-9H2,1-6H3",C27H33O4P,,,,,,YDQQYNDAEWDGSA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.839,283-451-8,84643-60-7,Oxiranylmethyl acetoacetate,oxiran-2-ylmethyl 3-oxobutanoate,CC(=O)CC(=O)OCC1CO1,CC(=O)CC(=O)OCC1CO1,"InChI=1/C7H10O4/c1-5(8)2-7(9)11-4-6-3-10-6/h6H,2-4H2,1H3",C7H10O4,,,,,,QOJCSHDIADEFAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.545,284-229-3,84824-78-2,2-ethyl-1H-imidazole-4-carbodithioic acid,2-ethyl-1H-imidazole-4-carbodithioic acid,CCc1nc(c[nH]1)C(=S)S,CCc1nc(c[nH]1)C(=S)S,"InChI=1/C6H8N2S2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)",C6H8N2S2,,,,,,QLTXPYPAYKMBTK-UHFFFAOYSA-N,,,,,,,,,,,
100.076.549,284-234-0,84824-82-8,Ethyl 3-[2-(2-methyl-1-oxopropoxy)phenyl]acrylate,ethyl 3-[2-(isobutyryloxy)phenyl]acrylate,CCOC(=O)\\C=C\\c1ccccc1OC(=O)C(C)C,CCOC(=O)\C=C\c1ccccc1OC(=O)C(C)C,"InChI=1/C15H18O4/c1-4-18-14(16)10-9-12-7-5-6-8-13(12)19-15(17)11(2)3/h5-11H,4H2,1-3H3",C15H18O4,,,,,,SYUQBLIYJBQOHW-MDZDMXLPSA-N,,,,,,,,,,,
100.076.553,284-238-2,84824-86-2,"(5a,6a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl acetate hydrochloride","3-methoxy-17-methyl-4,5-epoxymorphinan-6-yl acetate hydrochloride",Cl.COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C,Cl.COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C20H25NO4.ClH/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2;/h4,6,13-14,16,19H,5,7-10H2,1-3H3;1H",C20H25NO4.ClH,,,,,,XTOJZLLCLXRDDW-RIMCYNRYSA-N,,,,,,,,,,,
100.076.557,284-242-4,84824-90-8,"1,3-bis(4-pyridylmethyl)urea","1,3-bis(pyridin-4-ylmethyl)urea",O=C(NCc1ccncc1)NCc2ccncc2,O=C(NCc1ccncc1)NCc2ccncc2,"InChI=1/C13H14N4O/c18-13(16-9-11-1-5-14-6-2-11)17-10-12-3-7-15-8-4-12/h1-8H,9-10H2,(H2,16,17,18)",C13H14N4O,,,,,,OKASJGXMIDPYIG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.570,280-950-2,83817-50-9,Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate,ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate,CCOC(=O)c1c(C)onc1c2ccccc2Cl,CCOC(=O)c1c(C)onc1c2ccccc2Cl,"InChI=1/C13H12ClNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3",C13H12ClNO3,,,,,,QFOIBTBRETTXIK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.573,280-953-9,83817-53-2,5-methyl-3-(2-thienyl)isoxazole-4-carboxylic acid,5-methyl-3-(2-thienyl)isoxazole-4-carboxylic acid,Cc1onc(c2cccs2)c1C(=O)O,Cc1onc(c2cccs2)c1C(=O)O,"InChI=1/C9H7NO3S/c1-5-7(9(11)12)8(10-13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12)",C9H7NO3S,,,,,,QSTCJVAUTDWHRS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.574,280-954-4,83817-54-3,2-[[4-(carboxymethoxy)phenyl]thio]benzoic acid,2-{[4-(carboxymethoxy)phenyl]sulfanyl}benzoic acid,OC(=O)COc1ccc(Sc2ccccc2C(=O)O)cc1,OC(=O)COc1ccc(Sc2ccccc2C(=O)O)cc1,"InChI=1/C15H12O5S/c16-14(17)9-20-10-5-7-11(8-6-10)21-13-4-2-1-3-12(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)",C15H12O5S,,,,,,OWYGKJBADUJXDE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.577,280-958-6,83817-57-6,2-chloro-3-methyl-9H-thioxanthen-9-one,2-chloro-3-methyl-9H-thioxanthen-9-one,Cc1cc2Sc3ccccc3C(=O)c2cc1Cl,Cc1cc2Sc3ccccc3C(=O)c2cc1Cl,"InChI=1/C14H9ClOS/c1-8-6-13-10(7-11(8)15)14(16)9-4-2-3-5-12(9)17-13/h2-7H,1H3",C14H9ClOS,,,,,,DEBJMHLLCFSQFY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.578,280-959-1,83817-59-8,Oleyl 4-(dimethylamino)benzoate,octadec-9-en-1-yl 4-(dimethylamino)benzoate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)c1ccc(cc1)N(C)C,CCCCCCCC\C=C/CCCCCCCCOC(=O)c1ccc(cc1)N(C)C,"InChI=1/C27H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-27(29)25-20-22-26(23-21-25)28(2)3/h11-12,20-23H,4-10,13-19,24H2,1-3H3",C27H45NO2,,,,,,ASPXCBNJTYMHMF-QXMHVHEDSA-N,,,,,,,,,,,
100.073.579,280-960-7,83817-60-1,Ethyl 9-oxo-9H-thioxanthene-2-carboxylate,ethyl 9-oxo-9H-thioxanthene-2-carboxylate,CCOC(=O)c1ccc2Sc3ccccc3C(=O)c2c1,CCOC(=O)c1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C16H12O3S/c1-2-19-16(18)10-7-8-14-12(9-10)15(17)11-5-3-4-6-13(11)20-14/h3-9H,2H2,1H3",C16H12O3S,,,,,,PKUZBJXWIOTQFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.580,280-961-2,83817-61-2,Dimethoxy[(4-methoxyphenyl)methoxy]methylsilane,{dimethoxy[(4-methoxybenzyl)oxy]methyl}silane,COc1ccc(COC([SiH3])(OC)OC)cc1,COc1ccc(COC([SiH3])(OC)OC)cc1,"InChI=1/C11H18O4Si/c1-12-10-6-4-9(5-7-10)8-15-11(16,13-2)14-3/h4-7H,8H2,1-3,16H3",C11H18O4Si,,,,,,HXCQVFACFHQVGD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.600,271-082-5,68515-40-2,"1,2-Benzenedicarboxylic acid, benzyl C7-9-branched and linear alkyl esters",benzyl octyl phthalate,CCCCCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,CCCCCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,"InChI=1/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12007,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.600,WHHSHXMIKFVAEK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.604,271-086-7,68515-44-6,"1,2-Benzenedicarboxylic acid, diheptyl ester, branched and linear",diheptyl phthalate,CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC,CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC,"InChI=1/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3",-,,,,,,JQCXWCOOWVGKMT-UHFFFAOYSA-N,,,,,,,,,,,
100.064.609,271-091-4,68515-49-1,"1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich",bis(8-methylnonyl) phthalate,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,"InChI=1/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3",-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13582,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.609,ZVFDTKUVRCTHQE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.666,271-154-6,68516-47-2,(aminoiminomethyl)selenourea,1-(carbamimidoylselanyl)urea,NC(=N)[Se]NC(=O)N,NC(=N)[Se]NC(=O)N,"InChI=1/C2H6N4OSe/c3-1(4)8-6-2(5)7/h(H3,3,4)(H3,5,6,7)",C2H6N4Se,,,,,,VPFDMWYWQYNIQH-UHFFFAOYSA-N,,,,,,,,,,,
100.064.669,271-157-2,68516-50-7,3-chloro-3-(2-nitrophenyl)acrylaldehyde,3-chloro-3-(2-nitrophenyl)acrylaldehyde,[O-][N+](=O)c1ccccc1\\C(=C/C=O)\\Cl,[O-][N+](=O)c1ccccc1\C(=C/C=O)\Cl,InChI=1/C9H6ClNO3/c10-8(5-6-12)7-3-1-2-4-9(7)11(13)14/h1-6H,C9H6ClNO3,,,,,,IGKCDUQXBMHKHG-VMPITWQZSA-N,,,,,,,,,,,
100.064.671,271-159-3,68516-54-1,"p-(1,1,2,2-tetrafluoroethoxy)benzenesulphonyl chloride","4-(1,1,2,2-tetrafluoroethoxy)benzenesulfonyl chloride",FC(F)C(F)(F)Oc1ccc(cc1)S(=O)(=O)Cl,FC(F)C(F)(F)Oc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C8H5ClF4O3S/c9-17(14,15)6-3-1-5(2-4-6)16-8(12,13)7(10)11/h1-4,7H",C8H5ClF4O3S,,,,,,BHVOWFNWLROOSU-UHFFFAOYSA-N,,,,,,,,,,,
100.064.672,271-160-9,68516-55-2,"1,4-diamino-2-bromo-5-nitroanthraquinone","1,4-diamino-2-bromo-5-nitro-9,10-anthraquinone",Nc1cc(Br)c(N)c2C(=O)c3cccc(c3C(=O)c12)[N+](=O)[O-],Nc1cc(Br)c(N)c2C(=O)c3cccc(c3C(=O)c12)[N+](=O)[O-],"InChI=1/C14H8BrN3O4/c15-6-4-7(16)10-11(12(6)17)13(19)5-2-1-3-8(18(21)22)9(5)14(10)20/h1-4H,16-17H2",C14H8BrN3O4,,,,,,XSTBDPPWAZQHLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.673,271-161-4,68516-56-3,Calcium 2-[[(2-aminoethyl)amino]methyl]-4-dodecylphenolate (1:2),calcium bis(2-{[(2-aminoethyl)amino]methyl}-4-dodecylphenolate),[CaH2].CCCCCCCCCCCCc1ccc([O-])c(CNCCN)c1.CCCCCCCCCCCCc2ccc([O-])c(CNCCN)c2,[CaH2].CCCCCCCCCCCCc1ccc([O-])c(CNCCN)c1.CCCCCCCCCCCCc2ccc([O-])c(CNCCN)c2,"InChI=1/2C21H38N2O.Ca.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-21(24)20(17-19)18-23-16-15-22;;;/h2*13-14,17,23-24H,2-12,15-16,18,22H2,1H3;;;/q;;+2;;/p-2/r2C21H38N2O.CaH2/c2*1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-21(24)20(17-19)18-23-16-15-22;/h2*13-14,17,23-24H,2-12,15-16,18,22H2,1H3;1H2/q;;+2/p-2",C21H38N2O.1/2Ca,,,,,,DZMHDRDYWJSAOT-UHFFFAOYSA-L,,,,,,,,,,,
100.064.675,271-164-0,68516-58-5,3-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalenesulphonic acid,3-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-1-sulfonic acid,Oc1cc(c2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc2c1)S(=O)(=O)O,Oc1cc(c2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc2c1)S(=O)(=O)O,"InChI=1/C17H12N2O7S/c20-14-7-11-1-4-12(8-15(11)16(9-14)27(24,25)26)18-17(21)10-2-5-13(6-3-10)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)",C17H12N2O7S,,,,,,KPCWDWISHSLZCA-UHFFFAOYSA-N,,,,,,,,,,,
100.064.680,271-169-8,68516-64-3,2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl acetate,2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(2-cyanoethyl)amino]ethyl acetate,CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc(cc2Cl)[N+](=O)[O-])c(C)c1,CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc(cc2Cl)[N+](=O)[O-])c(C)c1,"InChI=1/C20H20ClN5O4/c1-14-12-16(25(9-3-8-22)10-11-30-15(2)27)4-6-19(14)23-24-20-7-5-17(26(28)29)13-18(20)21/h4-7,12-13H,3,9-11H2,1-2H3",C20H20ClN5O4,,,,,,WZEDCVQFYOBERE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.685,271-175-0,68516-72-3,Sodium 1-butyl 10-hydroxy-9-sulphonatooctadecanoate,sodium 1-butoxy-10-hydroxy-1-oxooctadecane-9-sulfonate,[Na+].CCCCCCCCC(O)C(CCCCCCCC(=O)OCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCC(O)C(CCCCCCCC(=O)OCCCC)S(=O)(=O)[O-],"InChI=1/C22H44O6S.Na/c1-3-5-7-8-10-13-16-20(23)21(29(25,26)27)17-14-11-9-12-15-18-22(24)28-19-6-4-2;/h20-21,23H,3-19H2,1-2H3,(H,25,26,27);/q;+1/p-1",C22H44O6S.Na,,,,,,FOFVFERIDNIUBU-UHFFFAOYSA-M,,,,,,,,,,,
100.064.687,271-177-1,68516-74-5,"N,N'-naphthalene-1,5-diylbis[3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]naphthalene-2-carboxamide]","N,N'-naphthalene-1,5-diylbis{3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-naphthamide}",COc8cc(ccc8N=Nc6c7ccccc7cc(C(=O)Nc5cccc4c5cccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2OC)[N+]([O-])=O)c3O)c6O)[N+]([O-])=O,COc8cc(ccc8N=Nc6c7ccccc7cc(C(=O)Nc5cccc4c5cccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2OC)[N+]([O-])=O)c3O)c6O)[N+]([O-])=O,"InChI=1/C46H32N8O10/c1-63-39-23-27(53(59)60)17-19-37(39)49-51-41-29-11-5-3-9-25(29)21-33(43(41)55)45(57)47-35-15-7-14-32-31(35)13-8-16-36(32)48-46(58)34-22-26-10-4-6-12-30(26)42(44(34)56)52-50-38-20-18-28(54(61)62)24-40(38)64-2/h3-24,55-56H,1-2H3,(H,47,57)(H,48,58)",C46H32N8O10,,,,,,PLXWSHOTKFJRMU-UHFFFAOYSA-N,,,,,,,,,,,
100.065.790,272-390-2,68815-72-5,"Potassium 2,3,4,5-tetrachloro-6-[[[3-[[(tridecafluorohexyl)sulphonyl]oxy]phenyl]amino]carbonyl]benzoate","potassium 2,3,4,5-tetrachloro-6-[(3-{[(tridecafluorohexyl)sulfonyl]oxy}phenyl)carbamoyl]benzoate",[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,"InChI=1/C20H6Cl4F13NO6S.K/c21-9-7(8(14(40)41)10(22)12(24)11(9)23)13(39)38-5-2-1-3-6(4-5)44-45(42,43)20(36,37)18(31,32)16(27,28)15(25,26)17(29,30)19(33,34)35;/h1-4H,(H,38,39)(H,40,41);/q;+1/p-1",C20H6Cl4F13NO6S.K,,,,,,IOTKRYWDXPLNIV-UHFFFAOYSA-M,,,,,,,,,,,
100.065.792,272-392-3,68818-37-1,"3-hydroxy-2,2-bis(hydroxymethyl)propyl decanoate","3-hydroxy-2,2-bis(hydroxymethyl)propyl decanoate",CCCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C15H30O5/c1-2-3-4-5-6-7-8-9-14(19)20-13-15(10-16,11-17)12-18/h16-18H,2-13H2,1H3",C15H30O5,,,,,,DUGUIFNLXSKLLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.074,284-812-2,84963-11-1,"3-[[5-[[4-[[[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]phenyl]amino]carbonyl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulphonic acid","3-[(2,4-dihydroxy-5-{[4-({4-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}phenyl)diazenyl]-4-hydroxybenzenesulfonic acid",O=C5N\\N=C(\\C)C5N=Nc4ccc(NC(=O)c3ccc(N=Nc2cc(N=Nc1cc(ccc1O)S(O)(=O)=O)c(O)cc2O)cc3)cc4,O=C5N\N=C(\C)C5N=Nc4ccc(NC(=O)c3ccc(N=Nc2cc(N=Nc1cc(ccc1O)S(O)(=O)=O)c(O)cc2O)cc3)cc4,"InChI=1/C29H23N9O8S/c1-15-27(29(43)38-31-15)37-33-19-8-6-17(7-9-19)30-28(42)16-2-4-18(5-3-16)32-34-22-13-23(26(41)14-25(22)40)36-35-21-12-20(47(44,45)46)10-11-24(21)39/h2-14,27,39-41H,1H3,(H,30,42)(H,38,43)(H,44,45,46)",C29H23N9O8S,,,,,,CLGCCWRIRMVLNM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.075,284-813-8,84963-13-3,"2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[[2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]amino]benzoic acid","2-{[1-(4-aminophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-[(2-{[1-(4-aminophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-hydroxybenzoyl)amino]benzoic acid",Nc1ccc(cc1)N6/N=C(/C)C(N=Nc2cc(O)ccc2C(=O)Nc5ccc(N=NC4C(\\C)=N/N(c3ccc(N)cc3)C4=O)c(c5)C(O)=O)C6=O,Nc1ccc(cc1)N6/N=C(/C)C(N=Nc2cc(O)ccc2C(=O)Nc5ccc(N=NC4C(\C)=N/N(c3ccc(N)cc3)C4=O)c(c5)C(O)=O)C6=O,"InChI=1/C34H29N11O6/c1-17-29(32(48)44(42-17)22-8-3-19(35)4-9-22)40-38-27-14-7-21(15-26(27)34(50)51)37-31(47)25-13-12-24(46)16-28(25)39-41-30-18(2)43-45(33(30)49)23-10-5-20(36)6-11-23/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51)",C34H29N11O6,,,,,,MKBSTXWFJZHRPL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.078,284-816-4,84963-16-6,"Sodium 2-[[2-amino-6-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]-7-sulpho-1-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulpho-1-naphthyl]azo]-5-nitrobenzoate","sodium 2-[(2-amino-6-{[4-({4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-7-sulfo-1-naphthyl}diazenyl)-2,5-dimethoxyphenyl]diazenyl}-5-hydroxy-7-sulfo-1-naphthyl)diazenyl]-5-nitrobenzoate",[Na+].COc7cc(N=Nc3ccc(N=Nc1cc(C(O)=O)c(O)cc1)c2ccc(cc23)S(O)(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4ccc(cc4C([O-])=O)[N+]([O-])=O)c(N)ccc5c6O)S(O)(=O)=O)OC,[Na+].COc7cc(N=Nc3ccc(N=Nc1cc(C(O)=O)c(O)cc1)c2ccc(cc23)S(O)(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4ccc(cc4C([O-])=O)[N+]([O-])=O)c(N)ccc5c6O)S(O)(=O)=O)OC,"InChI=1/C42H30N10O16S2.Na/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58;/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66);/q;+1/p-1",C42H30N10O16S2.xNa,,,,,,IEQCYSWMPQNZHR-UHFFFAOYSA-M,,,,,,,,,,,
100.077.079,284-818-5,84963-17-7,"2,6,10,10-tetramethylbicyclo[7.2.0]undecan-3-one","2,6,10,10-tetramethylbicyclo[7.2.0]undecan-3-one",CC1CCC2C(CC2(C)C)C(C)C(=O)CC1,CC1CCC2C(CC2(C)C)C(C)C(=O)CC1,"InChI=1/C15H26O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h10-13H,5-9H2,1-4H3",C15H26O,,,,,,QZGLJLUOIMQJAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.080,284-819-0,84963-18-8,"2,6,10,10-tetramethylbicyclo[7.2.0]undec-5-en-3-ol","2,6,10,10-tetramethylbicyclo[7.2.0]undec-5-en-3-ol",CC1C(O)C\\C=C(\\C)/CCC2C1CC2(C)C,CC1C(O)C\C=C(\C)/CCC2C1CC2(C)C,"InChI=1/C15H26O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h6,11-14,16H,5,7-9H2,1-4H3",C15H26O,,,,,,AYSAWMBRFWEREX-POHAHGRESA-N,,,,,,,,,,,
100.077.087,284-826-9,84963-25-7,Ethyl 7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate,ethyl 7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate,CCOC(=O)C1CC2CC(C(C)C)C1C=C2C,CCOC(=O)C1CC2CC(C(C)C)C1C=C2C,"InChI=1/C15H24O2/c1-5-17-15(16)14-8-11-7-12(9(2)3)13(14)6-10(11)4/h6,9,11-14H,5,7-8H2,1-4H3",C15H24O2,,,,,,VDLQBGFBIGHFJI-UHFFFAOYSA-N,,,,,,,,,,,
100.077.089,284-829-5,84963-27-9,4-[7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-3-buten-2-one,4-(7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl)but-3-en-2-one,CC(=O)C=CC2CC1CC(C(C)C)C2/C=C1/C,CC(=O)C=CC2CC1CC(C(C)C)C2/C=C1/C,"InChI=1/C16H24O/c1-10(2)15-9-14-8-13(6-5-12(4)17)16(15)7-11(14)3/h5-7,10,13-16H,8-9H2,1-4H3",C16H24O,,,,,,RUVDKXHGOQTPOO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.092,284-832-1,84963-30-4,"4-[7-isopropyl-3,5-dimethylbicyclo[2.2.2]oct-5-en-2-yl]-3-buten-2-one","4-(7-isopropyl-3,5-dimethylbicyclo[2.2.2]oct-5-en-2-yl)but-3-en-2-one",CC(C)C1CC2C(\\C)=C/C1C(C=CC(C)=O)C2C,CC(C)C1CC2C(\C)=C/C1C(C=CC(C)=O)C2C,"InChI=1/C17H26O/c1-10(2)15-9-16-11(3)8-17(15)14(13(16)5)7-6-12(4)18/h6-8,10,13-17H,9H2,1-5H3",C17H26O,,,,,,AUQJNSWUHBMLGO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.095,284-835-8,84963-33-7,1-[5-methyl-7-(1-methylethyl)bicyclo[2.2.2]oct-2-yl]ethan-1-one,1-(7-isopropyl-5-methylbicyclo[2.2.2]oct-2-yl)ethanone,CC(C)C1CC2CC(C1CC2C)C(=O)C,CC(C)C1CC2CC(C1CC2C)C(=O)C,"InChI=1/C14H24O/c1-8(2)12-6-11-7-13(10(4)15)14(12)5-9(11)3/h8-9,11-14H,5-7H2,1-4H3",C14H24O,,,,,,DFHXMXGNFYWHDV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.650,281-039-2,83846-62-2,Methyl 1-phenyl-1H-imidazole-5-carboxylate,methyl 1-phenyl-1H-imidazole-5-carboxylate,COC(=O)c1cncn1c2ccccc2,COC(=O)c1cncn1c2ccccc2,"InChI=1/C11H10N2O2/c1-15-11(14)10-7-12-8-13(10)9-5-3-2-4-6-9/h2-8H,1H3",C11H10N2O2,,,,,,CKWUTWFZMPGKGM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.651,281-040-8,83846-63-3,2-(chlorophenylmethylene)butyraldehyde,2-[chloro(phenyl)methylene]butanal,ClC(=C(C=O)CC)c1ccccc1,ClC(=C(C=O)CC)c1ccccc1,"InChI=1/C11H11ClO/c1-2-9(8-13)11(12)10-6-4-3-5-7-10/h3-8H,2H2,1H3",C11H11ClO,,,,,,IPUUGIIFFPLTLL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.377,285-146-5,85030-20-2,"4,4'-cyclohexylidenedianilinium dichloride","4,4'-cyclohexane-1,1-diyldianilinium dichloride",[Cl-].[Cl-].[NH3+]c1ccc(cc1)C2(CCCCC2)c3ccc([NH3+])cc3,[Cl-].[Cl-].[NH3+]c1ccc(cc1)C2(CCCCC2)c3ccc([NH3+])cc3,"InChI=1/C18H22N2.2ClH/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;;/h4-11H,1-3,12-13,19-20H2;2*1H",C18H22N2.2ClH,,,,,,VCDRTFHTOUCNQN-UHFFFAOYSA-N,,,,,,,,,,,
100.076.745,284-450-5,84878-56-8,"p-(2,2-dimethoxy-1-methylethyl)toluene","1-(2,2-dimethoxy-1-methylethyl)-4-methylbenzene",COC(OC)C(C)c1ccc(C)cc1,COC(OC)C(C)c1ccc(C)cc1,"InChI=1/C12H18O2/c1-9-5-7-11(8-6-9)10(2)12(13-3)14-4/h5-8,10,12H,1-4H3",C12H18O2,,,,,,NHCQQYMXSJZMEO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.747,284-452-6,84878-58-0,Dicyclohexyloctylphosphine,dicyclohexyl(octyl)phosphine,CCCCCCCCP(C1CCCCC1)C2CCCCC2,CCCCCCCCP(C1CCCCC1)C2CCCCC2,"InChI=1/C20H39P/c1-2-3-4-5-6-13-18-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h19-20H,2-18H2,1H3",C20H39P,,,,,,XEYYARMGRQZDGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.512,279-786-4,81613-60-7,"1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-propynyl]-4-(tert-butyl)piperidinium chloride","1-{3-[3,5-bis(trifluoromethyl)phenyl]prop-2-yn-1-yl}-4-tert-butylpiperidinium chloride",[Cl-].CC(C)(C)C1CC[NH+](CC#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1,[Cl-].CC(C)(C)C1CC[NH+](CC#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1,"InChI=1/C20H23F6N.ClH/c1-18(2,3)15-6-9-27(10-7-15)8-4-5-14-11-16(19(21,22)23)13-17(12-14)20(24,25)26;/h11-13,15H,6-10H2,1-3H3;1H",C20H23F6N.ClH,,,,,,NLECRQYFKWPVEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.517,279-792-7,81653-20-5,"1-morpholinomethylnaphthalene-2,7-diol","1-(morpholin-4-ylmethyl)naphthalene-2,7-diol",Oc1ccc2ccc(O)c(CN3CCOCC3)c2c1,Oc1ccc2ccc(O)c(CN3CCOCC3)c2c1,"InChI=1/C15H17NO3/c17-12-3-1-11-2-4-15(18)14(13(11)9-12)10-16-5-7-19-8-6-16/h1-4,9,17-18H,5-8,10H2",C15H17NO3,,,,,,OXSKDKWXVKZOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.527,279-804-0,81732-48-1,"5-acetyl-1,3-phenylene bis(dimethylcarbamate)","5-acetyl-1,3-phenylene bis(dimethylcarbamate)",CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(=O)C,CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(=O)C,"InChI=1/C14H18N2O5/c1-9(17)10-6-11(20-13(18)15(2)3)8-12(7-10)21-14(19)16(4)5/h6-8H,1-5H3",C14H18N2O5,,,,,,WTWHLMRXPNOZQX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.528,279-805-6,81732-49-2,"5-(bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)","5-(bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)",CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(=O)CBr,CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(=O)CBr,"InChI=1/C14H17BrN2O5/c1-16(2)13(19)21-10-5-9(12(18)8-15)6-11(7-10)22-14(20)17(3)4/h5-7H,8H2,1-4H3",C14H17BrN2O5,,,,,,UIWCLPRSQHCCHA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.602,277-684-4,74051-84-6,2-octyldodecyl acetate,2-octyldodecyl acetate,CCCCCCCCCCC(CCCCCCCC)COC(=O)C,CCCCCCCCCCC(CCCCCCCC)COC(=O)C,"InChI=1/C22H44O2/c1-4-6-8-10-12-13-15-17-19-22(20-24-21(3)23)18-16-14-11-9-7-5-2/h22H,4-20H2,1-3H3",C22H44O2,,,,,,WHCASFSSRGWZGS-UHFFFAOYSA-N,,,,,,,,,,,
100.070.603,277-686-5,74056-26-1,"2-[4-(1,2-diphenylvinyl)phenoxy]ethyl(diethyl)ammonium chloride","2-[4-(1,2-diphenylvinyl)phenoxy]-N,N-diethylethanaminium chloride",[Cl-].CC[NH+](CC)CCOc1ccc(cc1)\\C(=C/c2ccccc2)\\c3ccccc3,[Cl-].CC[NH+](CC)CCOc1ccc(cc1)\C(=C/c2ccccc2)\c3ccccc3,"InChI=1/C26H29NO.ClH/c1-3-27(4-2)19-20-28-25-17-15-24(16-18-25)26(23-13-9-6-10-14-23)21-22-11-7-5-8-12-22;/h5-18,21H,3-4,19-20H2,1-2H3;1H",C26H29NO.ClH,,,,,,VPQKHXADDASFHZ-AURQPEIRSA-N,,,,,,,,,,,
100.077.383,285-152-8,85030-28-0,"Sodium 6-amino-5-[[2,3-dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-5-yl]azo]-4-hydroxynaphthalene-2-sulphonate","sodium 6-amino-4-hydroxy-5-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]diazenyl}naphthalene-2-sulfonate",[Na+].[O-]S(=O)(=O)c1cc(O)c5c(c1)ccc(N)c5N=Nc2ccc3C(=O)N(C(=O)c3c2)c4ccc(C)cc4,[Na+].[O-]S(=O)(=O)c1cc(O)c5c(c1)ccc(N)c5N=Nc2ccc3C(=O)N(C(=O)c3c2)c4ccc(C)cc4,"InChI=1/C25H18N4O6S.Na/c1-13-2-6-16(7-3-13)29-24(31)18-8-5-15(11-19(18)25(29)32)27-28-23-20(26)9-4-14-10-17(36(33,34)35)12-21(30)22(14)23;/h2-12,30H,26H2,1H3,(H,33,34,35);/q;+1/p-1",C25H18N4O6S.Na,,,,,,BBBJITFOTVKXOR-UHFFFAOYSA-M,,,,,,,,,,,
100.077.391,285-161-7,85030-37-1,"9-(2-carboxyphenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl]amino]xanthylium acetate",9-(2-carboxyphenyl)-3-({2-ethyl-6-methyl-4-[(4-methyl-1H-imidazol-5-yl)methyl]phenyl}amino)-6-({2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl}amino)xanthenium acetate,CCc1cc(Cc2nc[nH]c2C)cc(C)c1Nc3ccc4c(c5ccccc5C(=O)O)c6ccc(Nc7c(C)cc(Cc8[nH]cnc8C)cc7CC)cc6[o+]c4c3.CC(=O)[O-],CCc1cc(Cc2nc[nH]c2C)cc(C)c1Nc3ccc4c(c5ccccc5C(=O)O)c6ccc(Nc7c(C)cc(Cc8[nH]cnc8C)cc7CC)cc6[o+]c4c3.CC(=O)[O-],"InChI=1/C48H46N6O3.C2H4O2/c1-7-33-19-31(21-41-29(5)49-25-51-41)17-27(3)46(33)53-35-13-15-39-43(23-35)57-44-24-36(14-16-40(44)45(39)37-11-9-10-12-38(37)48(55)56)54-47-28(4)18-32(20-34(47)8-2)22-42-30(6)50-26-52-42;1-2(3)4/h9-20,23-26,53-54H,7-8,21-22H2,1-6H3,(H2-,49,50,51,52,55,56);1H3,(H,3,4)",C48H47N6O3.C2H3O2,,,,,,SFYVEVUMZUOZIT-UHFFFAOYSA-M,,,,,,,,,,,
100.077.402,285-173-2,85030-48-4,"Sodium N,N-didecyl-ß-alaninate",sodium 3-(didecylamino)propanoate,[Na+].CCCCCCCCCCN(CCCCCCCCCC)CCC(=O)[O-],[Na+].CCCCCCCCCCN(CCCCCCCCCC)CCC(=O)[O-],"InChI=1/C23H47NO2.Na/c1-3-5-7-9-11-13-15-17-20-24(22-19-23(25)26)21-18-16-14-12-10-8-6-4-2;/h3-22H2,1-2H3,(H,25,26);/q;+1/p-1",C23H47NO2.Na,,,,,,JALJZYPKXUGUFH-UHFFFAOYSA-M,,,,,,,,,,,
100.067.913,274-727-9,70660-47-8,"2-[[4-[[2,4-diamino-5-[(2-hydroxy-5-sulphophenyl)azo]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonic acid","2-{[4-({2,4-diamino-5-[(2-hydroxy-5-sulfophenyl)diazenyl]phenyl}diazenyl)phenyl]amino}-5-nitrobenzenesulfonic acid",Oc4ccc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S(O)(=O)=O,Oc4ccc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S(O)(=O)=O,"InChI=1/C24H20N8O9S2/c25-17-11-18(26)21(30-31-22-10-16(42(36,37)38)6-8-23(22)33)12-20(17)29-28-14-3-1-13(2-4-14)27-19-7-5-15(32(34)35)9-24(19)43(39,40)41/h1-12,27,33H,25-26H2,(H,36,37,38)(H,39,40,41)",C24H20N8O9S2,,,,,,NHVZQBVLWFFFOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.918,274-733-1,70660-55-8,"4-[(2-bromo-4,6-dinitrophenyl)azo]-N-(3-methoxypropyl)naphthalen-1-amine","4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-(3-methoxypropyl)naphthalen-1-amine",Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCCOC)c1ccccc12)[N+]([O-])=O,Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCCOC)c1ccccc12)[N+]([O-])=O,"InChI=1/C20H18BrN5O5/c1-31-10-4-9-22-17-7-8-18(15-6-3-2-5-14(15)17)23-24-20-16(21)11-13(25(27)28)12-19(20)26(29)30/h2-3,5-8,11-12,22H,4,9-10H2,1H3",C20H18BrN5O5,,,,,,MMJKUMWJCYGICY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.921,274-736-8,70660-61-6,"3-[(2,4,6-trimethylheptyl)oxy]propylammonium acetate","3-[(2,4,6-trimethylheptyl)oxy]propan-1-aminium acetate",CC(C)CC(C)CC(C)COCCC[NH3+].CC(=O)[O-],CC(C)CC(C)CC(C)COCCC[NH3+].CC(=O)[O-],"InChI=1/C13H29NO.C2H4O2/c1-11(2)8-12(3)9-13(4)10-15-7-5-6-14;1-2(3)4/h11-13H,5-10,14H2,1-4H3;1H3,(H,3,4)",C13H29NO.C2H4O2,,,,,,SFDHJKYDQUJGDT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.924,274-739-4,70679-13-9,"2-[(1-phenyl-1H-tetrazol-5-yl)thio]-o-(tetradecyloxy)-2-(1H-1,2,4-triazol-1-yl)acetophenone","1-{6-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-2-(tetradecyloxy)-6-(1H-1,2,4-triazol-1-yl)cyclohexa-2,4-dien-1-yl}ethanone",CCCCCCCCCCCCCCOC1=CC=CC(Sc2nnnn2c3ccccc3)(C1C(=O)C)n4cncn4,CCCCCCCCCCCCCCOC1=CC=CC(Sc2nnnn2c3ccccc3)(C1C(=O)C)n4cncn4,"InChI=1/C31H43N7O2S/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-40-28-21-18-22-31(29(28)26(2)39,37-25-32-24-33-37)41-30-34-35-36-38(30)27-19-15-14-16-20-27/h14-16,18-22,24-25,29H,3-13,17,23H2,1-2H3",C31H41N7O2S,,,,,,VSSHSKDCYKQYKX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.930,274-746-2,70682-66-5,(E)-16-chlorohexadec-5-en-9-yne,16-chlorohexadec-5-en-9-yne,CCCC\\C=C\\CCC#CCCCCCCCl,CCCC\C=C\CCC#CCCCCCCCl,"InChI=1/C16H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6H,2-4,7-8,11-16H2,1H3",C16H27Cl,,,,,,QZOPJHLCHHFHTC-AATRIKPKSA-N,,,,,,,,,,,
100.067.935,274-752-5,70682-71-2,"Diethyl sulphate, compound with N,N'-[[(2-cyanoethyl)imino]diethylene]bis[docosanamide] (1:1)","diethyl sulfate - N,N'-{[(2-cyanoethyl)imino]diethane-2,1-diyl}didocosanamide (1:1)",CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCC#N.CCOS(=O)(=O)OCC,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCC#N.CCOS(=O)(=O)OCC,"InChI=1/C51H100N4O2.C4H10O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-50(56)53-45-48-55(47-41-44-52)49-46-54-51(57)43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-9(5,6)8-4-2/h3-43,45-49H2,1-2H3,(H,53,56)(H,54,57);3-4H2,1-2H3",C51H100N4O2.C4H10O4S,,,,,,YVOFDDZGIFJJAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.662,275-552-0,71501-21-8,"Methyl hydrogen sulphate, compound with N,N,2-trimethylquinolin-6-amine (1:1)","methyl hydrogen sulfate - N,N,2-trimethylquinolin-6-amine (1:1)",COS(=O)(=O)O.CN(C)c1ccc2nc(C)ccc2c1,COS(=O)(=O)O.CN(C)c1ccc2nc(C)ccc2c1,"InChI=1/C12H14N2.CH4O4S/c1-9-4-5-10-8-11(14(2)3)6-7-12(10)13-9;1-5-6(2,3)4/h4-8H,1-3H3;1H3,(H,2,3,4)",C12H14N2.CH4O4S,,,,,,XRMMLBYTERNAJL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.673,275-564-6,71501-36-5,1-(chloroamino)acetone,1-(chloroamino)acetone,CC(=O)CNCl,CC(=O)CNCl,"InChI=1/C3H6ClNO/c1-3(6)2-5-4/h5H,2H2,1H3",C3H6ClNO,,,,,,ZKOVFYBOFORKOK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.692,275-585-0,71507-77-2,17ß-hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-ene-3-one,17-hydroxy-17-methyl-4-[(phenylsulfanyl)methyl]androst-4-en-3-one,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CSc5ccccc5)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CSc5ccccc5)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C27H36O2S/c1-25-14-13-24(28)20(17-30-18-7-5-4-6-8-18)21(25)10-9-19-22(25)11-15-26(2)23(19)12-16-27(26,3)29/h4-8,19,22-23,29H,9-17H2,1-3H3",C27H36O2S,,,,,,ZTHICPNHMULZDY-AYEIPMSGSA-N,,,,,,,,,,,
100.068.695,275-588-7,71510-64-0,4-[(benzyl)amino]butyronitrile,4-(benzylamino)butanenitrile,N#CCCCNCc1ccccc1,N#CCCCNCc1ccccc1,"InChI=1/C11H14N2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,9-10H2",C11H14N2,,,,,,NZJWITSLFKTATC-UHFFFAOYSA-N,,,,,,,,,,,
100.064.390,270-851-2,68479-04-9,"1,3-Propanediamine, N-[3-(tridecyloxy)propyl]-, branched","N-{3-[(8,10-dimethylundecyl)oxy]propyl}propane-1,3-diamine",CC(C)CC(C)CCCCCCCOCCCNCCCN,CC(C)CC(C)CCCCCCCOCCCNCCCN,"InChI=1/C19H42N2O/c1-18(2)17-19(3)11-7-5-4-6-8-15-22-16-10-14-21-13-9-12-20/h18-19,21H,4-17,20H2,1-3H3",-,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1236,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.390,OMQFYSDZSLDVLL-UHFFFAOYSA-N,,,,,,,,,,,
100.064.404,270-866-4,68479-72-1,"2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl didecanoate","2,2-bis[(octanoyloxy)methyl]propane-1,3-diyl didecanoate",CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC,CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC,"InChI=1/C41H76O8/c1-5-9-13-17-19-23-27-31-39(44)48-35-41(33-46-37(42)29-25-21-15-11-7-3,34-47-38(43)30-26-22-16-12-8-4)36-49-40(45)32-28-24-20-18-14-10-6-2/h5-36H2,1-4H3",C41H76O8,,,,,,AMVDHHPLWPTQMD-UHFFFAOYSA-N,,,,,,,,,,,
100.065.804,272-405-2,68833-61-4,Disodium 5-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]phenyl]azo]salicylate,disodium 2-hydroxy-5-({2-methoxy-5-methyl-4-[(4-nitro-2-sulfonatophenyl)diazenyl]phenyl}diazenyl)benzoate,[Na+].[Na+].COc3cc(N=Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(C)cc3N=Nc2cc(C([O-])=O)c(O)cc2,[Na+].[Na+].COc3cc(N=Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(C)cc3N=Nc2cc(C([O-])=O)c(O)cc2,"InChI=1/C21H17N5O9S.2Na/c1-11-7-17(25-22-12-3-6-18(27)14(8-12)21(28)29)19(35-2)10-16(11)24-23-15-5-4-13(26(30)31)9-20(15)36(32,33)34;;/h3-10,27H,1-2H3,(H,28,29)(H,32,33,34);;/q;2*+1/p-2",C21H17N5O9S.2Na,,,,,,DJOAHDBMINEIHB-UHFFFAOYSA-L,,,,,,,,,,,
100.065.818,272-420-4,68833-93-2,1H-indol-7-amine monohydrochloride,1H-indol-7-amine hydrochloride,Cl.Nc1cccc2cc[nH]c12,Cl.Nc1cccc2cc[nH]c12,"InChI=1/C8H8N2.ClH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-5,10H,9H2;1H",C8H8N2.ClH,,,,,,HFYGNSUGNRRQFF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.579,274-360-4,70173-24-9,"2-ethyl-9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazolium acetate","2-ethyl-9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate",CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1.CC(=O)[O-],CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1.CC(=O)[O-],"InChI=1/C19H18N2O.C2H4O2/c1-4-21-8-7-14-12(3)19-18(11(2)16(14)10-21)15-9-13(22)5-6-17(15)20-19;1-2(3)4/h5-10,22H,4H2,1-3H3;1H3,(H,3,4)",C19H19N2O.C2H3O2,,,,,,WKGUXODNZRETGT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.585,274-367-2,70179-79-2,Ammonium tetraformate,ammonium tetraformate,[NH4+].[NH4+].[NH4+].[NH4+].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O,[NH4+].[NH4+].[NH4+].[NH4+].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O,"InChI=1/4CH2O2.4H3N/c4*2-1-3;;;;/h4*1H,(H,2,3);4*1H3",CH2O2.1/4H3N,,,,,,ISPRRDBLPCPHGL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.590,274-373-5,70191-60-5,"2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl)oxy]ethyl methacrylate","2-(3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yloxy)ethyl methacrylate",CC(=C)C(=O)OCCOC1C=CC2C3CCC(C3)C12,CC(=C)C(=O)OCCOC1C=CC2C3CCC(C3)C12,"InChI=1/C16H22O3/c1-10(2)16(17)19-8-7-18-14-6-5-13-11-3-4-12(9-11)15(13)14/h5-6,11-15H,1,3-4,7-9H2,2H3",C16H22O3,,,,,,ULPUFTCUHBFSOE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.592,274-375-6,70198-17-3,2-[[4-[(6-chlorobenzothiazol-2-yl)azo]phenyl]ethylamino]ethyl acetate,"2-[{4-[(6-chloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}(ethyl)amino]ethyl acetate",CC(=O)OCCN(CC)c1ccc(cc1)N=Nc2nc3ccc(Cl)cc3s2,CC(=O)OCCN(CC)c1ccc(cc1)N=Nc2nc3ccc(Cl)cc3s2,"InChI=1/C19H19ClN4O2S/c1-3-24(10-11-26-13(2)25)16-7-5-15(6-8-16)22-23-19-21-17-9-4-14(20)12-18(17)27-19/h4-9,12H,3,10-11H2,1-2H3",C19H19ClN4O2S,,,,,,ULNIIFVEDJYBOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.512,276-486-5,72214-25-6,"2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-{2-[4-(dimethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",CN(C)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-],CN(C)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-],"InChI=1/C21H25N2.H3O4P/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;1-5(2,3)4/h6-15H,1-5H3;(H3,1,2,3,4)/q+1;/p-3",C21H25N2.H2O4P,,,,,,OWKTYKYYGBBYKF-UHFFFAOYSA-K,,,,,,,,,,,
100.069.514,276-488-6,72214-33-6,"3-(2,6,6-trimethyl-1-cyclohexen-1-yl)acrylonitrile","3-(2,6,6-trimethylcyclohex-1-en-1-yl)acrylonitrile",CC1=C(\\C=C\\C#N)C(C)(C)CCC1,CC1=C(\C=C\C#N)C(C)(C)CCC1,"InChI=1/C12H17N/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7H,4,6,8H2,1-3H3",C12H17N,,,,,,KRFUZADFDPVFRO-FNORWQNLSA-N,,,,,,,,,,,
100.069.525,276-501-5,72230-95-6,"Trisodium 5,5'-[(2-sulphonato-1,4-phenylene)bis(azo)]bis(salicylate)","trisodium 3,3'-[(2-sulfonato-1,4-phenylene)didiazene-2,1-diyl]bis(6-hydroxybenzoate)",[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3S([O-])(=O)=O,[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3S([O-])(=O)=O,"InChI=1/C20H14N4O9S.3Na/c25-16-5-2-10(7-13(16)19(27)28)21-22-12-1-4-15(18(9-12)34(31,32)33)24-23-11-3-6-17(26)14(8-11)20(29)30;;;/h1-9,25-26H,(H,27,28)(H,29,30)(H,31,32,33);;;/q;3*+1/p-3",C20H14N4O9S.3Na,,,,,,JFUUNPZIKZIBMH-UHFFFAOYSA-K,,,,,,,,,,,
100.069.527,276-503-6,72235-53-1,"3,4-difluorobenzylamine","1-(3,4-difluorophenyl)methanamine",NCc1ccc(F)c(F)c1,NCc1ccc(F)c(F)c1,"InChI=1/C7H7F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2",C7H7F2N,,,,,,PHLZUDXEBCQHKM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.528,276-504-1,72237-74-2,"2,3,4,9-tetrahydro-2-(isopropoxymethylene)-6-methoxy-4-methyl-1H-carbazol-1-one","2-(isopropoxymethylene)-6-methoxy-4-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one",CC(C)OC=C2CC(C)c1c3cc(OC)ccc3nc1C2=O,CC(C)OC=C2CC(C)c1c3cc(OC)ccc3nc1C2=O,"InChI=1/C18H21NO3/c1-10(2)22-9-12-7-11(3)16-14-8-13(21-4)5-6-15(14)19-17(16)18(12)20/h5-6,8-11,19H,7H2,1-4H3",C18H21NO3,,,,,,XWEMTAMPNJACMR-UHFFFAOYSA-N,,,,,,,,,,,
100.064.693,271-183-4,68516-81-4,2-[ethyl[3-methyl-4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]ethanol,"2-(ethyl{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)ethanol",CCN(CCO)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,CCN(CCO)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,"InChI=1/C14H17N5O3S/c1-3-18(6-7-20)11-4-5-12(10(2)8-11)16-17-14-15-9-13(23-14)19(21)22/h4-5,8-9,20H,3,6-7H2,1-2H3",C14H17N5O3S,,,,,,UIHYHADQHHUIOF-UHFFFAOYSA-N,,,,,,,,,,,
100.064.703,271-194-4,68519-97-1,"1,4,6-tribromopyrene","1,4,6-tribromopyrene",Brc1ccc2c(Br)cc3c(Br)ccc4ccc1c2c34,Brc1ccc2c(Br)cc3c(Br)ccc4ccc1c2c34,InChI=1/C16H7Br3/c17-12-6-4-10-14(19)7-11-13(18)5-2-8-1-3-9(12)16(10)15(8)11/h1-7H,C16H7Br3,,,,,,RHRFBPAWKHCKFW-UHFFFAOYSA-N,,,,,,,,,,,
100.064.720,271-213-6,68526-56-7,"Alkenes, C9-11, C10-rich","deca-1,3,7-triene",CC\\C=C\\CC\\C=C\\C=C,CC\C=C\CC\C=C\C=C,"InChI=1/C10H16/c1-3-5-7-9-10-8-6-4-2/h3,5-8H,1,4,9-10H2,2H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2098,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.720,FDBJNQUXZRDJHC-KQQUZDAGSA-N,,,,,,,,,,,
100.073.663,281-053-9,83846-75-7,"(1,4-dibromobutyl)cyclopropane","(1,4-dibromobutyl)cyclopropane",BrCCCC(Br)C1CC1,BrCCCC(Br)C1CC1,"InChI=1/C7H12Br2/c8-5-1-2-7(9)6-3-4-6/h6-7H,1-5H2",C7H12Br2,,,,,,VHXVANJGTFQCCP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.664,281-054-4,83846-76-8,2-[chloro(4-methoxyphenyl)methylene]valeraldehyde,2-[chloro(4-methoxyphenyl)methylene]pentanal,COc1ccc(cc1)C(Cl)=C(C=O)CCC,COc1ccc(cc1)C(Cl)=C(C=O)CCC,"InChI=1/C13H15ClO2/c1-3-4-11(9-15)13(14)10-5-7-12(16-2)8-6-10/h5-9H,3-4H2,1-2H3",C13H15ClO2,,,,,,KZPCSONSSYBYMY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.668,281-059-1,83846-80-4,4-hydroxy-4-phenethylpiperidinium chloride,4-hydroxy-4-(2-phenylethyl)piperidinium chloride,[Cl-].OC1(CCc2ccccc2)CC[NH2+]CC1,[Cl-].OC1(CCc2ccccc2)CC[NH2+]CC1,"InChI=1/C13H19NO.ClH/c15-13(8-10-14-11-9-13)7-6-12-4-2-1-3-5-12;/h1-5,14-15H,6-11H2;1H",C13H19NO.ClH,,,,,,GISBYEQWKRAVSB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.673,281-064-9,83846-85-9,4-(4-methylphenylthio)benzophenone,{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone,Cc1ccc(Sc2ccc(cc2)C(=O)c3ccccc3)cc1,Cc1ccc(Sc2ccc(cc2)C(=O)c3ccccc3)cc1,"InChI=1/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3",C20H16OS,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18030,https://echa.europa.eu/substance-information/-/substanceinfo/100.073.673,DBHQYYNDKZDVTN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.677,281-069-6,83846-89-3,Benzylphenethylammonium acetate,N-benzyl-2-phenylethanaminium acetate,CC(=O)[O-].C(Cc1ccccc1)[NH2+]Cc2ccccc2,CC(=O)[O-].C(Cc1ccccc1)[NH2+]Cc2ccccc2,"InChI=1/C15H17N.C2H4O2/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;1-2(3)4/h1-10,16H,11-13H2;1H3,(H,3,4)",C15H17N.C2H4O2,,,,,,WKBWPPFAWKAKOI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.680,281-072-2,83846-92-8,Choline dihydrogen phosphate,"2-hydroxy-N,N,N-trimethylethanaminium dihydrogen phosphate",C[N+](C)(C)CCO.[O-]P(=O)([O-])[O-],C[N+](C)(C)CCO.[O-]P(=O)([O-])[O-],"InChI=1/C5H14NO.H3O4P/c1-6(2,3)4-5-7;1-5(2,3)4/h7H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3",C5H14NO.H2O4P,,,,,,LPPJNZJBKFSQGA-UHFFFAOYSA-K,,,,,,,,,,,
100.073.682,281-074-3,83846-94-0,4-propylphenyl 4-heptylbenzoate,4-propylphenyl 4-heptylbenzoate,CCCCCCCc1ccc(cc1)C(=O)Oc2ccc(CCC)cc2,CCCCCCCc1ccc(cc1)C(=O)Oc2ccc(CCC)cc2,"InChI=1/C23H30O2/c1-3-5-6-7-8-10-20-11-15-21(16-12-20)23(24)25-22-17-13-19(9-4-2)14-18-22/h11-18H,3-10H2,1-2H3",C23H30O2,,,,,,OUSRURSEKXEDCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.683,281-075-9,83846-95-1,(+)-4-(2-methylbutyl)phenyl 4-(dodecyloxy)benzoate,4-(2-methylbutyl)phenyl 4-(dodecyloxy)benzoate,CCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc2ccc(CC(C)CC)cc2,CCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc2ccc(CC(C)CC)cc2,"InChI=1/C30H44O3/c1-4-6-7-8-9-10-11-12-13-14-23-32-28-21-17-27(18-22-28)30(31)33-29-19-15-26(16-20-29)24-25(3)5-2/h15-22,25H,4-14,23-24H2,1-3H3",C30H44O3,,,,,,KOWGBOBLPFEEBC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.684,281-076-4,83846-96-2,4-ethylphenyl 4-propylbenzoate,4-ethylphenyl 4-propylbenzoate,CCCc1ccc(cc1)C(=O)Oc2ccc(CC)cc2,CCCc1ccc(cc1)C(=O)Oc2ccc(CC)cc2,"InChI=1/C18H20O2/c1-3-5-15-6-10-16(11-7-15)18(19)20-17-12-8-14(4-2)9-13-17/h6-13H,3-5H2,1-2H3",C18H20O2,,,,,,VCHQGFYIDWDLLH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.687,281-080-6,83846-99-5,Pentasodium 5-[[4-[[4-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]sulphonato-1-naphthyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]sulphonato-1-naphthyl]azo]salicylate,pentasodium 5-({4-[(4-{[4-({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-2-sulfonato-1-naphthyl}diazenyl)phenyl]amino}-3-sulfonatophenyl)diazenyl]-2-sulfonato-1-naphthyl}diazenyl)-2-hydroxybenzoate,[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc8c2ccccc2c(N=Nc7ccc(Nc6ccc(N=Nc5c3ccccc3c(N=Nc4cc(C([O-])=O)c(O)cc4)cc5S([O-])(=O)=O)cc6)c(c7)S([O-])(=O)=O)cc8S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc8c2ccccc2c(N=Nc7ccc(Nc6ccc(N=Nc5c3ccccc3c(N=Nc4cc(C([O-])=O)c(O)cc4)cc5S([O-])(=O)=O)cc6)c(c7)S([O-])(=O)=O)cc8S([O-])(=O)=O,"InChI=1/C46H31N9O15S3.5Na/c56-38-17-14-26(19-33(38)45(58)59)49-52-36-22-41(72(65,66)67)43(31-7-3-1-5-29(31)36)54-48-25-11-9-24(10-12-25)47-35-16-13-28(21-40(35)71(62,63)64)50-53-37-23-42(73(68,69)70)44(32-8-4-2-6-30(32)37)55-51-27-15-18-39(57)34(20-27)46(60)61;;;;;/h1-23,47,56-57H,(H,58,59)(H,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;;/q;5*+1/p-5",C46H31N9O15S3.5Na,,,,,,UDARGQXMDNKKQG-UHFFFAOYSA-I,,,,,,,,,,,
100.075.537,283-117-1,84540-25-0,"1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2,5-dione","1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrrole-2,5-dione",CC1(C)CC(CC(C)(C)N1)N2C(=O)C=CC2=O,CC1(C)CC(CC(C)(C)N1)N2C(=O)C=CC2=O,"InChI=1/C13H20N2O2/c1-12(2)7-9(8-13(3,4)14-12)15-10(16)5-6-11(15)17/h5-6,9,14H,7-8H2,1-4H3",C13H20N2O2,,,,,,FFIJIFGRYNWQNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.538,283-118-7,84540-26-1,"Potassium N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-ß-alaninate","potassium 3-{[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino}propanoate",[K+].CC1(C)CC(N)CC(C)(CNCCC(=O)[O-])C1,[K+].CC1(C)CC(N)CC(C)(CNCCC(=O)[O-])C1,"InChI=1/C13H26N2O2.K/c1-12(2)6-10(14)7-13(3,8-12)9-15-5-4-11(16)17;/h10,15H,4-9,14H2,1-3H3,(H,16,17);/q;+1/p-1",C13H26N2O2.K,,,,,,JNGPOWHIVCOUNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.077.404,285-175-3,85030-50-8,"N,N'-[[2,2-bis(hydroxymethyl)-1,3-propanediyl]bis(oxymethylene)]bis(acrylamide)","N,N'-{[2,2-bis(hydroxymethyl)propane-1,3-diyl]bis(oxymethylene)}bisacrylamide",OCC(CO)(COCNC(=O)C=C)COCNC(=O)C=C,OCC(CO)(COCNC(=O)C=C)COCNC(=O)C=C,"InChI=1/C13H22N2O6/c1-3-11(18)14-9-20-7-13(5-16,6-17)8-21-10-15-12(19)4-2/h3-4,16-17H,1-2,5-10H2,(H,14,18)(H,15,19)",C13H22N2O6,,,,,,QFNMALAPRQGEBL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.408,285-180-0,85030-54-2,3-formylbut-2-endiyl diacetate,"3-formylbut-2-ene-1,1-diyl diacetate",CC(=O)OC(C=C(C)C=O)OC(=O)C,CC(=O)OC(C=C(C)C=O)OC(=O)C,"InChI=1/C9H12O5/c1-6(5-10)4-9(13-7(2)11)14-8(3)12/h4-5,9H,1-3H3",C9H12O5,,,,,,ZONLFTZQOACGCL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.409,285-181-6,85030-55-3,2-(hydroxymethyl)-2-methyl-3-(methylthio)propionaldehyde,3-hydroxy-2-methyl-2-[(methylsulfanyl)methyl]propanal,CSCC(C)(CO)C=O,CSCC(C)(CO)C=O,"InChI=1/C6H12O2S/c1-6(3-7,4-8)5-9-2/h3,8H,4-5H2,1-2H3",C6H12O2S,,,,,,NVDKDIBCMMSYTO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.413,285-185-8,85030-59-7,"2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxobutyramide]","2,2'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(4-methoxyphenyl)-3-oxobutanamide]",COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OC)cc3)c(OC)c4,COc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OC)cc3)c(OC)c4,"InChI=1/C36H36N6O8/c1-21(43)33(35(45)37-25-9-13-27(47-3)14-10-25)41-39-29-17-7-23(19-31(29)49-5)24-8-18-30(32(20-24)50-6)40-42-34(22(2)44)36(46)38-26-11-15-28(48-4)16-12-26/h7-20,33-34H,1-6H3,(H,37,45)(H,38,46)",C36H36N6O8,,,,,,NWIJWXFXEQCPME-UHFFFAOYSA-N,,,,,,,,,,,
100.077.414,285-186-3,85030-60-0,"4,4'-bis[[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis({1-[(4-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-2,2'-disulfonic acid",Cc1ccc(cc1)NC(=O)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)C(C)=O,Cc1ccc(cc1)NC(=O)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2)cc3S(O)(=O)=O)c(c4)S(O)(=O)=O)C(C)=O,"InChI=1/C34H32N6O10S2/c1-19-5-9-23(10-6-19)35-33(43)31(21(3)41)39-37-25-13-15-27(29(17-25)51(45,46)47)28-16-14-26(18-30(28)52(48,49)50)38-40-32(22(4)42)34(44)36-24-11-7-20(2)8-12-24/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50)",C34H32N6O10S2,,,,,,HGEHAJHQWPJEGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.415,285-187-9,85030-61-1,"4,4'-bis[[1-[[(4-chloro-2,5-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis({1-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-2,2'-disulfonic acid",COc4cc(NC(=O)C(N=Nc3ccc(c2ccc(N=NC(C(C)=O)C(=O)Nc1cc(OC)c(Cl)cc1OC)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)C(C)=O)c(cc4Cl)OC,COc4cc(NC(=O)C(N=Nc3ccc(c2ccc(N=NC(C(C)=O)C(=O)Nc1cc(OC)c(Cl)cc1OC)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)C(C)=O)c(cc4Cl)OC,"InChI=1/C36H34Cl2N6O14S2/c1-17(45)33(35(47)39-25-15-27(55-3)23(37)13-29(25)57-5)43-41-19-7-9-21(31(11-19)59(49,50)51)22-10-8-20(12-32(22)60(52,53)54)42-44-34(18(2)46)36(48)40-26-16-28(56-4)24(38)14-30(26)58-6/h7-16,33-34H,1-6H3,(H,39,47)(H,40,48)(H,49,50,51)(H,52,53,54)",C36H34Cl2N6O14S2,,,,,,OCAWVJGJFRRZLG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.536,279-814-5,81761-28-6,3-oxo-N-[2-(trifluoromethyl)phenyl]butyramide,3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide,CC(=O)CC(=O)Nc1ccccc1C(F)(F)F,CC(=O)CC(=O)Nc1ccccc1C(F)(F)F,"InChI=1/C11H10F3NO2/c1-7(16)6-10(17)15-9-5-3-2-4-8(9)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)",C11H10F3NO2,,,,,,VATRWWPJWVCZTA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.538,279-816-6,81782-89-0,"2,4,4,7-tetramethylnona-6,8-dien-3-one","2,4,4,7-tetramethylnona-6,8-dien-3-one",CC(C)C(=O)C(C)(C)CC=C(C)C=C,CC(C)C(=O)C(C)(C)CC=C(C)C=C,"InChI=1/C13H22O/c1-7-11(4)8-9-13(5,6)12(14)10(2)3/h7-8,10H,1,9H2,2-6H3",C13H22O,,,,,,TWJFINAHYOYYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.549,279-828-1,81797-48-0,Tetrasodium [(octylimino)bis(methylene)]bisphosphonate,tetrasodium [(octylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.4Na/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4",C10H25NO6P2.4Na,,,,,,UAVOQKCTRXBMSE-UHFFFAOYSA-J,,,,,,,,,,,
100.072.553,279-832-3,81818-53-3,"8,17-diamino-7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone","8,17-diamino-7,16-dichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrone",Nc1c(Cl)c2Nc3c(Nc2c4C(=O)c5ccccc5C(=O)c14)c(Cl)c(N)c6C(=O)c7ccccc7C(=O)c36,Nc1c(Cl)c2Nc3c(Nc2c4C(=O)c5ccccc5C(=O)c14)c(Cl)c(N)c6C(=O)c7ccccc7C(=O)c36,"InChI=1/C28H14Cl2N4O4/c29-17-19(31)13-15(27(37)11-7-3-1-5-9(11)25(13)35)21-23(17)34-22-16-14(20(32)18(30)24(22)33-21)26(36)10-6-2-4-8-12(10)28(16)38/h1-8,33-34H,31-32H2",C28H14Cl2N4O4,,,,,,NBIFYLJANSMWOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.558,279-838-6,81856-06-6,Barium bis(tetracosylbenzenesulphonate),barium bis(2-tetracosylbenzenesulfonate),[Ba+2].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C30H54O3S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+2/p-2",C30H54O3S.1/2Ba,,,,,,HLJHHUMLFVYONE-UHFFFAOYSA-L,,,,,,,,,,,
100.072.559,279-839-1,81867-37-0,Benzyl iodoacetate,benzyl iodoacetate,ICC(=O)OCc1ccccc1,ICC(=O)OCc1ccccc1,"InChI=1/C9H9IO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2",C9H9IO2,,,,,,RCNXBVQQUUKQNX-UHFFFAOYSA-N,,,,,,,,,,,
100.064.414,270-877-4,68479-98-1,Diethylmethylbenzenediamine,"3-(1-ethylpropyl)benzene-1,2-diamine",CCC(CC)c1cccc(N)c1N,CCC(CC)c1cccc(N)c1N,"InChI=1/C11H18N2/c1-3-8(4-2)9-6-5-7-10(12)11(9)13/h5-8H,3-4,12-13H2,1-2H3",C11H18N2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13306,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.414,XPXUSWQGKLLSSN-UHFFFAOYSA-N,,,,,,,,,,,
100.064.416,270-880-0,68480-04-6,"3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-ol","3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol",CC(O)C(C)=CCC1C\\C=C(\\C)C1(C)C,CC(O)C(C)=CCC1C\C=C(\C)C1(C)C,"InChI=1/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3",C14H24O,,,,,,SYSAACBNNCUINP-UHFFFAOYSA-N,,,,,,,,,,,
100.066.161,272-798-0,68912-02-7,4-[[(p-anisyl)methylhydrazono]methyl]-1-methylpyridinium methyl sulphate,4-[(4-methoxyphenyl)(methyl)carbonohydrazonoyl]-1-methylpyridinium methyl sulfate,[O-]S(=O)(=O)OC.COc1ccc(cc1)N(C)N=Cc2cc[n+](C)cc2,[O-]S(=O)(=O)OC.COc1ccc(cc1)N(C)N=Cc2cc[n+](C)cc2,"InChI=1/C15H18N3O.CH4O4S/c1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C15H18N3O.CH3O4S,,,,,,OZNLSKRKXXKXQO-UHFFFAOYSA-M,,,,,,,,,,,
100.066.167,272-805-7,68912-13-0,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl propionate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yl propionate",CCC(=O)OC1C=CC2C3CCC(C3)C12,CCC(=O)OC1C=CC2C3CCC(C3)C12,"InChI=1/C13H18O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h5-6,8-11,13H,2-4,7H2,1H3",C13H18O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13493,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.167,BALAUIYKESNHDW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.979,274-800-5,70714-69-1,"Diammonium hydrogen 7-aminonaphthalene-1,3,6-trisulphonate","diammonium hydrogen 7-aminonaphthalene-1,3,6-trisulfonate",[NH4+].[NH4+].Nc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[NH4+].[NH4+].Nc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO9S3.2H3N/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);2*1H3/p-1",C10H9NO9S3.2H3N,,,,,,GTFTYISZEPQXHQ-UHFFFAOYSA-M,,,,,,,,,,,
100.067.985,274-806-8,70714-80-6,7-chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate,7-chloro-1-ethyl-4-methylquinolinium 4-methylbenzenesulfonate,CC[n+]1ccc(C)c2ccc(Cl)cc12.Cc3ccc(cc3)S(=O)(=O)[O-],CC[n+]1ccc(C)c2ccc(Cl)cc12.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C12H13ClN.C7H8O3S/c1-3-14-7-6-9(2)11-5-4-10(13)8-12(11)14;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C12H13ClN.C7H7O3S,,,,,,SWDCPEYCWOLTDT-UHFFFAOYSA-M,,,,,,,,,,,
100.068.702,275-596-0,71526-69-7,2-ethylhexyl 2-(4-chloro-2-methylphenoxy)propionate,2-ethylhexyl 2-(4-chloro-2-methylphenoxy)propanoate,CCCCC(CC)COC(=O)C(C)Oc1ccc(Cl)cc1C,CCCCC(CC)COC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C18H27ClO3/c1-5-7-8-15(6-2)12-21-18(20)14(4)22-17-10-9-16(19)11-13(17)3/h9-11,14-15H,5-8,12H2,1-4H3",C18H27ClO3,,,,,,NWTKQOOQEPXMMW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.706,275-600-0,71537-52-5,"2,5-dichloro-4-sulphobenzenediazonium sulphate (2:1)","bis(2,5-dichloro-4-sulfobenzenediazonium) sulfate",OS(=O)(=O)c1cc(Cl)c(cc1Cl)[N+]#N.OS(=O)(=O)c2cc(Cl)c(cc2Cl)[N+]#N.[O-]S(=O)(=O)[O-],OS(=O)(=O)c1cc(Cl)c(cc1Cl)[N+]#N.OS(=O)(=O)c2cc(Cl)c(cc2Cl)[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/2C6H2Cl2N2O3S.H2O4S/c2*7-3-2-6(14(11,12)13)4(8)1-5(3)10-9;1-5(2,3)4/h2*1-2H;(H2,1,2,3,4)",C6H3Cl2N2O3S.1/2O4S,,,,,,XBJQCZPHKYVQMR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.709,275-603-7,71550-22-6,"Tetralithium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonate]","tetralithium 3,3'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)",[Li+].[Li+].[Li+].[Li+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Li+].[Li+].[Li+].[Li+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H28N6O16S4.4Li/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H28N6O16S4.4Li,,,,,,AYHIBJGAPUTZDM-UHFFFAOYSA-J,,,,,,,,,,,
100.068.716,275-611-0,71550-60-2,"1-isopropyl-2,2-dimethylpropane-1,3-diyl maleate","4-{3-[(3-carboxyacryloyl)oxy]-1-isopropyl-2,2-dimethylpropoxy}-4-oxobut-2-enoate",CC(C)C(OC(=O)\\C=C/C(=O)[O-])C(C)(C)COC(=O)\\C=C/C(=O)O,CC(C)C(OC(=O)\C=C/C(=O)[O-])C(C)(C)COC(=O)\C=C/C(=O)O,"InChI=1/C16H22O8/c1-10(2)15(24-14(22)8-6-12(19)20)16(3,4)9-23-13(21)7-5-11(17)18/h5-8,10,15H,9H2,1-4H3,(H,17,18)(H,19,20)/p-1",C16H22O8,,,,,,GCGQUKLVRVNKGW-SFECMWDFSA-M,,,,,,,,,,,
100.068.717,275-612-6,71550-61-3,"1-methylethane-1,2-diyl maleate",4-{2-[(3-carboxyacryloyl)oxy]-1-methylethoxy}-4-oxobut-2-enoate,CC(COC(=O)\\C=C/C(=O)O)OC(=O)\\C=C/C(=O)[O-],CC(COC(=O)\C=C/C(=O)O)OC(=O)\C=C/C(=O)[O-],"InChI=1/C11H12O8/c1-7(19-11(17)5-3-9(14)15)6-18-10(16)4-2-8(12)13/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/p-1",C11H12O8,,,,,,UWAPZLSSQZOFLR-JVLMNHKTSA-M,,,,,,,,,,,
100.064.426,270-891-0,68480-14-8,"1-(3,5,6-trimethyl-3-cyclohexen-1-yl)ethan-1-one","1-(3,5,6-trimethylcyclohex-3-en-1-yl)ethanone",CC1C=C(C)CC(C1C)C(=O)C,CC1C=C(C)CC(C1C)C(=O)C,"InChI=1/C11H18O/c1-7-5-8(2)9(3)11(6-7)10(4)12/h5,8-9,11H,6H2,1-4H3",C11H18O,,,,,,KJJMTKOKFXURKM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.733,271-227-2,68526-79-4,"Hexanol, branched and linear",4-methylpentan-1-ol,CC(C)CCCO,CC(C)CCCO,"InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3",-,,,,,,PCWGTDULNUVNBN-UHFFFAOYSA-N,,,,,,,,,,,
100.065.825,272-428-8,68834-02-6,"1-amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1ccc(cc1)S(=O)(=O)Oc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)cc2,Cc1ccc(cc1)S(=O)(=O)Oc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)cc2,"InChI=1/C27H20N2O8S2/c1-15-6-12-18(13-7-15)39(35,36)37-17-10-8-16(9-11-17)29-21-14-22(38(32,33)34)25(28)24-23(21)26(30)19-4-2-3-5-20(19)27(24)31/h2-14,29H,28H2,1H3,(H,32,33,34)",C27H20N2O8S2,,,,,,FDEABYDIRZEBLW-UHFFFAOYSA-N,,,,,,,,,,,
100.065.835,272-439-8,68841-21-4,Hexahydro-7-[(4-nitrophenyl)methyl]-2H-azepin-2-one,7-(4-nitrobenzyl)azepan-2-one,[O-][N+](=O)c1ccc(CC2CCCCC(=O)N2)cc1,[O-][N+](=O)c1ccc(CC2CCCCC(=O)N2)cc1,"InChI=1/C13H16N2O3/c16-13-4-2-1-3-11(14-13)9-10-5-7-12(8-6-10)15(17)18/h5-8,11H,1-4,9H2,(H,14,16)",C13H16N2O3,,,,,,RPMRYTUFZUKBQL-UHFFFAOYSA-N,,,,,,,,,,,
100.065.839,272-444-5,68844-96-2,"3-(1,3-benzodioxol-5-yl)-1-methylpropyl acetate","3-(1,3-benzodioxol-5-yl)-1-methylpropyl acetate",CC(CCc1ccc2OCOc2c1)OC(=O)C,CC(CCc1ccc2OCOc2c1)OC(=O)C,"InChI=1/C13H16O4/c1-9(17-10(2)14)3-4-11-5-6-12-13(7-11)16-8-15-12/h5-7,9H,3-4,8H2,1-2H3",C13H16O4,,,,,,WPDTWMWIRBCOSB-UHFFFAOYSA-N,,,,,,,,,,,
100.065.842,272-447-1,68845-00-1,"2-ethoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane","2-ethoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane",CCOC1(C)CCC2C(=C)C1CCC2(C)C,CCOC1(C)CCC2C(=C)C1CCC2(C)C,"InChI=1/C15H26O/c1-6-16-15(5)10-8-12-11(2)13(15)7-9-14(12,3)4/h12-13H,2,6-10H2,1,3-5H3",C15H26O,,,,,,LUNAXRIJWWBQTE-UHFFFAOYSA-N,,,,,,,,,,,
100.065.843,272-448-7,68845-01-2,"Octahydro-4,4,7-trimethyl-3H-naphth[1,8a-b]oxiren-7-ol","4,4,7-trimethyloctahydro-1aH-naphtho[1,8a-b]oxiren-7-ol",CC1(O)CCC2C(C)(C)CCC3OC23C1,CC1(O)CCC2C(C)(C)CCC3OC23C1,"InChI=1/C13H22O2/c1-11(2)6-5-10-13(15-10)8-12(3,14)7-4-9(11)13/h9-10,14H,4-8H2,1-3H3",C13H22O2,,,,,,QVVMFJUENNEJOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.844,272-449-2,68845-02-3,"Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate","methyl 2-{[(2,4-dimethylcyclohex-3-en-1-yl)methylene]amino}benzoate",COC(=O)c2ccccc2N=CC1CCC(/C)=C\\C1C,COC(=O)c2ccccc2N=CC1CCC(/C)=C\C1C,"InChI=1/C17H21NO2/c1-12-8-9-14(13(2)10-12)11-18-16-7-5-4-6-15(16)17(19)20-3/h4-7,10-11,13-14H,8-9H2,1-3H3",C17H21NO2,,,,,,GZMGSIZLVIFVKF-UHFFFAOYSA-N,,,,,,,,,,,
100.065.847,272-452-9,68845-15-8,"N,N'-(9,10-dihydro-9,10-dioxoanthracene-1,5-diyl)bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide]","N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide)",Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)Nc4cccc5C(=O)c6c(NC(=O)c7ccc8C(=O)c9ccccc9C(=O)c8c7N)cccc6C(=O)c45,Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)Nc4cccc5C(=O)c6c(NC(=O)c7ccc8C(=O)c9ccccc9C(=O)c8c7N)cccc6C(=O)c45,"InChI=1/C44H24N4O8/c45-35-27(17-15-25-33(35)39(51)21-9-3-1-7-19(21)37(25)49)43(55)47-29-13-5-11-23-31(29)41(53)24-12-6-14-30(32(24)42(23)54)48-44(56)28-18-16-26-34(36(28)46)40(52)22-10-4-2-8-20(22)38(26)50/h1-18H,45-46H2,(H,47,55)(H,48,56)",C44H24N4O8,,,,,,CDUBTZSRLPGVRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.848,272-453-4,68845-16-9,"N,N'-bis[3-(trimethoxysilyl)propyl]ethylenediamine","N,N'-bis[3-(trimethoxysilyl)propyl]ethane-1,2-diamine",CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC,CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1/C14H36N2O6Si2/c1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h15-16H,7-14H2,1-6H3",C14H36N2O6Si2,,,,,,HZGIOLNCNORPKR-UHFFFAOYSA-N,,,,,,,,,,,
100.065.861,272-468-6,68849-44-5,"2-ethyl-2-(hydroxymethyl)propane-1,3-diyl dilaurate",2-[(dodecanoyloxy)methyl]-2-(hydroxymethyl)butyl laurate (non-preferred name),CCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCC,"InChI=1/C30H58O5/c1-4-7-9-11-13-15-17-19-21-23-28(32)34-26-30(6-3,25-31)27-35-29(33)24-22-20-18-16-14-12-10-8-5-2/h31H,4-27H2,1-3H3",C30H58O5,,,,,,CJONEYCGBCRINF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.608,274-392-9,70209-95-9,Sodium 6-amino-4-hydroxy-5-[[2-(phenoxysulphonyl)phenyl]azo]naphthalene-2-sulphonate,sodium 6-amino-4-hydroxy-5-{[2-(phenoxysulfonyl)phenyl]diazenyl}naphthalene-2-sulfonate,[Na+].O=S(=O)(Oc1ccccc1)c4ccccc4N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O,[Na+].O=S(=O)(Oc1ccccc1)c4ccccc4N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O,"InChI=1/C22H17N3O7S2.Na/c23-17-11-10-14-12-16(33(27,28)29)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)34(30,31)32-15-6-2-1-3-7-15;/h1-13,26H,23H2,(H,27,28,29);/q;+1/p-1",C22H17N3O7S2.Na,,,,,,DWJGKWGUTNRSPV-UHFFFAOYSA-M,,,,,,,,,,,
100.075.542,283-122-9,84540-30-7,"Oxydiethylene bis[[[1,3,3-trimethyl-5-[[(2-methyl-6-oxo-1-piperidyl)carbonyl]amino]cyclohexyl]methyl]carbamate]","oxydiethylene bis[[[1,3,3-trimethyl-5-[[(2-methyl-6-oxo-1-piperidyl)carbonyl]amino]cyclohexyl]methyl]carbamate]",CC1CCCC(=O)N1C(=O)NC2CC(C)(C)CC(C)(CNC(=O)[O-])C2.CC3CCCC(=O)N3C(=O)NC4CC(C)(C)CC(C)(CNC(=O)[O-])C4.C=COC=C,CC1CCCC(=O)N1C(=O)NC2CC(C)(C)CC(C)(CNC(=O)[O-])C2.CC3CCCC(=O)N3C(=O)NC4CC(C)(C)CC(C)(CNC(=O)[O-])C4.C=COC=C,"InChI=1/2C18H31N3O4.C4H6O/c2*1-12-6-5-7-14(22)21(12)15(23)20-13-8-17(2,3)10-18(4,9-13)11-19-16(24)25;1-3-5-4-2/h2*12-13,19H,5-11H2,1-4H3,(H,20,23)(H,24,25);3-4H,1-2H2/p-2",C40H68N6O9,,,,,,ZEAUDAZVIMZUKB-UHFFFAOYSA-L,,,,,,,,,,,
100.075.544,283-125-5,84540-32-9,trans-p-(4-pentylcyclohexyl)phenetole,1-ethoxy-4-(4-pentylcyclohexyl)benzene,CCCCCC1CCC(CC1)c2ccc(OCC)cc2,CCCCCC1CCC(CC1)c2ccc(OCC)cc2,"InChI=1/C19H30O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h12-17H,3-11H2,1-2H3",C19H30O,,,,,,GJHKWLSRHNWTAN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.545,283-126-0,84540-33-0,trans-p-(4-heptylcyclohexyl)phenetole,1-ethoxy-4-(4-heptylcyclohexyl)benzene,CCCCCCCC1CCC(CC1)c2ccc(OCC)cc2,CCCCCCCC1CCC(CC1)c2ccc(OCC)cc2,"InChI=1/C21H34O/c1-3-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22-4-2/h14-19H,3-13H2,1-2H3",C21H34O,,,,,,YZIKHUQFVVONNB-UHFFFAOYSA-N,,,,,,,,,,,
100.075.552,283-133-9,84540-40-9,4-hydroxybutyl carbamate,4-hydroxybutyl carbamate,NC(=O)OCCCCO,NC(=O)OCCCCO,"InChI=1/C5H11NO3/c6-5(8)9-4-2-1-3-7/h7H,1-4H2,(H2,6,8)",C5H11NO3,,,,,,LMUUYCHNLMKVFR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.560,283-142-8,84540-48-7,"(2,4-diaminophenoxy)acetic acid","(2,4-diaminophenoxy)acetic acid",Nc1ccc(OCC(=O)O)c(N)c1,Nc1ccc(OCC(=O)O)c(N)c1,"InChI=1/C8H10N2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4,9-10H2,(H,11,12)",C8H10N2O3,,,,,,UEANEAODIZOETQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.567,283-150-1,84540-55-6,"Methylbenzo[b]naphtho[2,3-d]furan","1-methylbenzo[b]naphtho[2,3-d]furan",Cc1cccc2oc3cc4ccccc4cc3c12,Cc1cccc2oc3cc4ccccc4cc3c12,"InChI=1/C17H12O/c1-11-5-4-8-15-17(11)14-9-12-6-2-3-7-13(12)10-16(14)18-15/h2-10H,1H3",C17H12O,,,,,,DINCMSICGZSQEA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.572,283-155-9,84540-61-4,1-methyl-4-piperidone oxime monohydrochloride,1-methylpiperidin-4-one oxime hydrochloride,Cl.CN1CCC(=NO)CC1,Cl.CN1CCC(=NO)CC1,"InChI=1/C6H12N2O.ClH/c1-8-4-2-6(7-9)3-5-8;/h9H,2-5H2,1H3;1H",C6H12N2O.ClH,,,,,,WQVZFAGWTNLHSX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.816,279-021-4,78971-81-0,"1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(vinyloxy)heptane","1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(vinyloxy)heptane",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC=C,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC=C,"InChI=1/C9H6F12O/c1-2-22-3-5(12,13)7(16,17)9(20,21)8(18,19)6(14,15)4(10)11/h2,4H,1,3H2",C9H6F12O,,,,,,PSLCNUISXILWOY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.817,279-023-5,78972-27-7,"2,6-dithioxotetrahydro-4H-1,3,5-thiadiazin-4-one","2,6-dithioxo-1,3,5-thiadiazinan-4-one",O=C1NC(=S)SC(=S)N1,O=C1NC(=S)SC(=S)N1,"InChI=1/C3H2N2OS3/c6-1-4-2(7)9-3(8)5-1/h(H2,4,5,6,7,8)",C3H2N2OS3,,,,,,FZBNEDQJQRMCNL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.823,279-029-8,78984-88-0,"Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one","5-(hydroxymethyl)-4,4-dimethyldihydrofuran-2(3H)-one",CC1(C)CC(=O)OC1CO,CC1(C)CC(=O)OC1CO,"InChI=1/C7H12O3/c1-7(2)3-6(9)10-5(7)4-8/h5,8H,3-4H2,1-2H3",C7H12O3,,,,,,SDABEAVZPANNJV-UHFFFAOYSA-N,,,,,,,,,,,
100.071.825,279-031-9,78987-79-8,Ethyl N-(3-methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-ß-alaninate,ethyl N-benzyl-N-(3-methoxy-2-methyl-3-oxopropyl)-beta-alaninate,CCOC(=O)CCN(CC(C)C(=O)OC)Cc1ccccc1,CCOC(=O)CCN(CC(C)C(=O)OC)Cc1ccccc1,"InChI=1/C17H25NO4/c1-4-22-16(19)10-11-18(12-14(2)17(20)21-3)13-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3",C17H25NO4,,,,,,LRJQXEYJXMMPOA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.827,279-034-5,78987-81-2,"a-cyclopropyl-2,5-dimethylbenzyl alcohol","cyclopropyl(2,5-dimethylphenyl)methanol",Cc1ccc(C)c(c1)C(O)C2CC2,Cc1ccc(C)c(c1)C(O)C2CC2,"InChI=1/C12H16O/c1-8-3-4-9(2)11(7-8)12(13)10-5-6-10/h3-4,7,10,12-13H,5-6H2,1-2H3",C12H16O,,,,,,XNVLDOQNXQCBPD-UHFFFAOYSA-N,,,,,,,,,,,
100.071.829,279-036-6,79015-29-5,"4,4'-bis[(4-hydroxy-3-methylphenyl)azo]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4-hydroxy-3-methylphenyl)diazenyl]benzenesulfonic acid}",Cc4cc(N=Nc3ccc(/C=C/c2ccc(N=Nc1cc(C)c(O)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)ccc4O,Cc4cc(N=Nc3ccc(/C=C/c2ccc(N=Nc1cc(C)c(O)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)ccc4O,"InChI=1/C28H24N4O8S2/c1-17-13-21(9-11-25(17)33)29-31-23-7-5-19(27(15-23)41(35,36)37)3-4-20-6-8-24(16-28(20)42(38,39)40)32-30-22-10-12-26(34)18(2)14-22/h3-16,33-34H,1-2H3,(H,35,36,37)(H,38,39,40)",C28H24N4O8S2,,,,,,SUJXESLIIAUNSS-FPDVXUDYSA-N,,,,,,,,,,,
100.071.832,279-039-2,79034-12-1,1-methyl-1-phenylindan,1-methyl-1-phenylindane,CC1(CCc2ccccc12)c3ccccc3,CC1(CCc2ccccc12)c3ccccc3,"InChI=1/C16H16/c1-16(14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)16/h2-10H,11-12H2,1H3",C16H16,,,,,,YASDJUXENMYIBH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.835,279-042-9,79044-54-5,"Methyl N-[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate","dimethyl 3,3'-({4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-3-methylphenyl}imino)dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)c3ccc(N=Nc1nc2cc(Cl)c(Cl)cc2s1)c(C)c3,COC(=O)CCN(CCC(=O)OC)c3ccc(N=Nc1nc2cc(Cl)c(Cl)cc2s1)c(C)c3,"InChI=1/C22H22Cl2N4O4S/c1-13-10-14(28(8-6-20(29)31-2)9-7-21(30)32-3)4-5-17(13)26-27-22-25-18-11-15(23)16(24)12-19(18)33-22/h4-5,10-12H,6-9H2,1-3H3",C22H22Cl2N4O4S,,,,,,LPUHXJDARPBXOF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.613,274-398-1,70210-00-3,"Trisodium 5-[[4-[(2-bromo-1-oxoallyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-({4-[(2-bromoacryloyl)amino]benzoyl}amino)-3-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].BrC(=C)C(=O)Nc1ccc(cc1)C(=O)Nc3cc(cc4cc(c(N=Nc2cc(NC(=O)C(Br)=C)ccc2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].BrC(=C)C(=O)Nc1ccc(cc1)C(=O)Nc3cc(cc4cc(c(N=Nc2cc(NC(=O)C(Br)=C)ccc2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C29H21Br2N5O13S3.3Na/c1-13(30)27(38)32-17-5-3-15(4-6-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)7-8-22(20)51(44,45)46;;;/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C29H21Br2N5O13S3.3Na,,,,,,IRCYJZISJKRUHJ-UHFFFAOYSA-K,,,,,,,,,,,
100.067.617,274-402-1,70210-05-8,"Disodium 3-[[2,4-bis(2-methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate","disodium 3-{[2,4-bis(2-methylphenoxy)phenyl]diazenyl}-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3ccc(cc3Oc2ccccc2C)Oc4ccccc4C)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3ccc(cc3Oc2ccccc2C)Oc4ccccc4C)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C37H31N3O11S3.2Na/c1-22-12-15-27(16-13-22)52(42,43)40-30-21-28(53(44,45)46)18-25-19-34(54(47,48)49)36(37(41)35(25)30)39-38-29-17-14-26(50-31-10-6-4-8-23(31)2)20-33(29)51-32-11-7-5-9-24(32)3;;/h4-21,40-41H,1-3H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C37H31N3O11S3.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17880,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.617,PDIPEOFKXSOHMI-UHFFFAOYSA-L,,,,,,,,,,,
100.069.125,276-060-9,71839-14-0,"2,3-dihydro-2-methyl-9-phenyl-1H-indeno[2,1-c]pyridine hydrobromide","2-methyl-9-phenyl-2,3-dihydro-1H-indeno[2,1-c]pyridine hydrobromide",Br.CN1CC=C2C(=C(c3ccccc3)c4ccccc24)C1,Br.CN1CC=C2C(=C(c3ccccc3)c4ccccc24)C1,"InChI=1/C19H17N.BrH/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;/h2-11H,12-13H2,1H3;1H",C19H17N.BrH,,,,,,RFIIQJSREXZMBF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.569,276-549-7,72259-65-5,"Tritetradecyl 2,2',2''-[(butylstannylidyne)tris(thio)]triacetate","tetradecyl 4-butyl-7-oxo-4-{[2-oxo-2-(tetradecyloxy)ethyl]sulfanyl}-8-oxa-3,5-dithia-4-stannadocosan-1-oate",CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC,"InChI=1/3C16H32O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;1-3-4-2;/h3*19H,2-15H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC52H102O6S3Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-56-50(53)47-59-62(46-12-8-4,60-48-51(54)57-44-41-38-35-32-29-26-23-20-17-14-10-6-2)61-49-52(55)58-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-49H2,1-4H3",C52H102O6S3Sn,,,,,,CSQUOHWEHXEIMB-UHFFFAOYSA-K,,,,,,,,,,,
100.069.574,276-554-4,72269-55-7,2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl phenoxyacetate,2-[(2-cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl phenoxyacetate,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2)N(CCC#N)CCOC(=O)COc3ccccc3,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2)N(CCC#N)CCOC(=O)COc3ccccc3,"InChI=1/C25H23N5O5/c26-15-4-16-29(17-18-34-25(31)19-35-24-5-2-1-3-6-24)22-11-7-20(8-12-22)27-28-21-9-13-23(14-10-21)30(32)33/h1-3,5-14H,4,16-19H2",C25H23N5O5,,,,,,VIRORHJDLRRCJG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.575,276-556-5,72269-59-1,Sodium N-acetyl-2-[[2-hydroxy-3-[(2-methoxyanilino)carbonyl]-1-naphthyl]azo]sulphanilate,sodium 4-acetamido-2-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(NC(C)=O)ccc2S([O-])(=O)=O)c3O,[Na+].COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(NC(C)=O)ccc2S([O-])(=O)=O)c3O,"InChI=1/C26H22N4O7S.Na/c1-15(31)27-17-11-12-23(38(34,35)36)21(14-17)29-30-24-18-8-4-3-7-16(18)13-19(25(24)32)26(33)28-20-9-5-6-10-22(20)37-2;/h3-14,32H,1-2H3,(H,27,31)(H,28,33)(H,34,35,36);/q;+1/p-1",C26H22N4O7S.Na,,,,,,NSVMAAKMLFYIGG-UHFFFAOYSA-M,,,,,,,,,,,
100.064.739,271-234-0,68526-85-2,"Alcohols, C9-11-iso-, C10-rich",8-methylnonan-1-ol,CC(C)CCCCCCCO,CC(C)CCCCCCCO,"InChI=1/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3",-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11599,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.739,PLLBRTOLHQQAQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.740,271-235-6,68526-86-3,"Alcohols, C11-14-iso-, C13-rich",11-methyldodecan-1-ol,CC(C)CCCCCCCCCCO,CC(C)CCCCCCCCCCO,"InChI=1/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13679,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.740,XUJLWPFSUCHPQL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.393,274-156-5,69850-87-9,"5,5-dimethyl-3-[2-(vinyloxy)ethyl]imidazolidine-2,4-dione","5,5-dimethyl-3-[2-(vinyloxy)ethyl]imidazolidine-2,4-dione",CC1(C)NC(=O)N(CCOC=C)C1=O,CC1(C)NC(=O)N(CCOC=C)C1=O,"InChI=1/C9H14N2O3/c1-4-14-6-5-11-7(12)9(2,3)10-8(11)13/h4H,1,5-6H2,2-3H3,(H,10,13)",C9H14N2O3,,,,,,ZUWLNOXNQWRSHI-UHFFFAOYSA-N,,,,,,,,,,,
100.067.395,274-158-6,69852-41-1,Bis[2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium] tetrachlorozincate,"bis[2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium] tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,Cl[Zn-2](Cl)(Cl)Cl.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/2C19H23N4O2S.4ClH.Zn/c2*1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;;;;;/h2*5-10,13,24H,4,11-12H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C19H23N4O2S.Cl4Zn/c2*1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5(2,3)4/h2*5-10,13,24H,4,11-12H2,1-3H3;/q2*+1;-2",C19H23N4O2S.1/2Cl4Zn,,,,,,MXSVKPJDYZMMNO-UHFFFAOYSA-J,,,,,,,,,,,
100.071.846,279-054-4,79084-84-7,"N-ethyl-N-(2-phenoxyethyl)aniline, hydrochloride",N-ethyl-N-(2-phenoxyethyl)aniline hydrochloride,Cl.CCN(CCOc1ccccc1)c2ccccc2,Cl.CCN(CCOc1ccccc1)c2ccccc2,"InChI=1/C16H19NO.ClH/c1-2-17(15-9-5-3-6-10-15)13-14-18-16-11-7-4-8-12-16;/h3-12H,2,13-14H2,1H3;1H",C16H19NO.ClH,,,,,,LKBWEXYLFBCCQY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.098,284-838-4,84963-36-0,(E)-3-(2-phenylvinyl)pyridine-2-carboxamide,3-(2-phenylvinyl)pyridine-2-carboxamide,NC(=O)c1ncccc1\\C=C\\c2ccccc2,NC(=O)c1ncccc1\C=C\c2ccccc2,"InChI=1/C14H12N2O/c15-14(17)13-12(7-4-10-16-13)9-8-11-5-2-1-3-6-11/h1-10H,(H2,15,17)",C14H12N2O,,,,,,SIQJPDGKKMVRIH-CMDGGOBGSA-N,,,,,,,,,,,
100.072.255,279-505-5,80584-91-4,"6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoic acid","6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoic acid",OC(=O)CCCCCNc1nc(NCCCCCC(=O)O)nc(NCCCCCC(=O)O)n1,OC(=O)CCCCCNc1nc(NCCCCCC(=O)O)nc(NCCCCCC(=O)O)n1,"InChI=1/C21H36N6O6/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27)",C21H36N6O6,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5291,https://echa.europa.eu/substance-information/-/substanceinfo/100.072.255,BKKWPPMEXIXECW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.695,281-089-5,83861-28-3,"Methyl 3a-[(ethoxycarbonyl)oxy]-7a,12a-dihydroxycholan-24-oate","methyl 3-[(ethoxycarbonyl)oxy]-7,12-dihydroxycholan-24-oate",CCOC(=O)O[C@@H]1CC[C@@]2(C)C(C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)[C@@H](O)C[C@H]23)C1,CCOC(=O)O[C@@H]1CC[C@@]2(C)C(C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)[C@@H](O)C[C@H]23)C1,"InChI=1/C28H46O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-23,25,29-30H,6-15H2,1-5H3",C28H46O7,,,,,,KIRFLCKWEBLZMD-QSGOJPERSA-N,,,,,,,,,,,
100.073.709,281-105-0,83863-42-7,1-(p-tolyl)-4-(p-tolylsulphonyl)piperazine,1-(4-methylphenyl)-4-[(4-methylphenyl)sulfonyl]piperazine,Cc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc(C)cc3,Cc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc(C)cc3,"InChI=1/C18H22N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3",C18H22N2O2S,,,,,,RMVJTBYILZMIFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.718,281-115-5,83863-51-8,"2,3-dihydrobenzo[b]thiophen-3-amine 1,1-dioxide","2,3-dihydro-1-benzothiophen-3-amine 1,1-dioxide",NC1CS(=O)(=O)c2ccccc12,NC1CS(=O)(=O)c2ccccc12,"InChI=1/C8H9NO2S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4,7H,5,9H2",C8H9NO2S,,,,,,HKQBTGLZBNDHLG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.729,281-127-0,83863-62-1,"3-[1,1'-biphenyl]yl-4H-pyran-4-one",3-biphenyl-2-yl-4H-pyran-4-one,O=C1C=COC=C1c2ccccc2c3ccccc3,O=C1C=COC=C1c2ccccc2c3ccccc3,InChI=1/C17H12O2/c18-17-10-11-19-12-16(17)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-12H,C17H12O2,,,,,,VPFFEXFYHFIBNR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.582,283-166-9,84540-71-6,"a1-(chloromethyl)-a4-(hydroxymethyl)-1H-imidazole-1,4-diethanol","3-[1-(3-chloro-2-hydroxypropyl)-1H-imidazol-4-yl]propane-1,2-diol",OCC(O)Cc1cn(CC(O)CCl)cn1,OCC(O)Cc1cn(CC(O)CCl)cn1,"InChI=1/C9H15ClN2O3/c10-2-9(15)4-12-3-7(11-6-12)1-8(14)5-13/h3,6,8-9,13-15H,1-2,4-5H2",C9H15ClN2O3,,,,,,VYVVKJMZRVZASU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.584,283-169-5,84551-78-0,"1-(2,6,6-trimethyl-4-oxocyclohex-2-enyl)buten-3-yl acetate","1-methyl-3-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)prop-2-en-1-yl acetate",CC1(C)CC(=O)\\C=C(\\C)C1C=CC(C)OC(C)=O,CC1(C)CC(=O)\C=C(\C)C1C=CC(C)OC(C)=O,"InChI=1/C15H22O3/c1-10-8-13(17)9-15(4,5)14(10)7-6-11(2)18-12(3)16/h6-8,11,14H,9H2,1-5H3",C15H22O3,,,,,,HTJRTNBBUDUZOP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.585,283-170-0,84559-82-0,N-[N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]glycyl]glycine,N-[(benzyloxy)carbonyl]-D-isoleucylglycylglycine,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)O,CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)O,"InChI=1/C18H25N3O6/c1-3-12(2)16(17(25)20-9-14(22)19-10-15(23)24)21-18(26)27-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,22)(H,20,25)(H,21,26)(H,23,24)",C18H25N3O6,,,,,,MVTRAKCVUOLTBC-INSVYWFGSA-N,,,,,,,,,,,
100.075.595,283-181-0,84559-94-4,"Palmitic acid, compound with N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)","hexadecanoic acid - 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)",CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,"InChI=1/C19H20N6O.2C16H32O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2-15H2,1H3,(H,17,18)",C19H20N6O.2C16H32O2,,,,,,LEXPCVWJGRHEFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.598,283-184-7,84559-97-7,3-(methylthio)propyl isobutyrate,3-(methylsulfanyl)propyl 2-methylpropanoate,CSCCCOC(=O)C(C)C,CSCCCOC(=O)C(C)C,"InChI=1/C8H16O2S/c1-7(2)8(9)10-5-4-6-11-3/h7H,4-6H2,1-3H3",C8H16O2S,,,,,,YFCYHIADGINCCX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.605,283-192-0,84560-04-3,"N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)acetamide","N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide",COc1cc(NC(=O)C)c2C(=O)c3ccccc3C(=O)c2c1N,COc1cc(NC(=O)C)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C17H14N2O4/c1-8(20)19-11-7-12(23-2)15(18)14-13(11)16(21)9-5-3-4-6-10(9)17(14)22/h3-7H,18H2,1-2H3,(H,19,20)",C17H14N2O4,,,,,,SVFPILGVWYPIDO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.562,279-842-8,81882-62-4,3-amino-N-(isopropyl)benzamide,3-amino-N-isopropylbenzamide,CC(C)NC(=O)c1cccc(N)c1,CC(C)NC(=O)c1cccc(N)c1,"InChI=1/C10H14N2O/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3,(H,12,13)",C10H14N2O,,,,,,GYXJWWPQRQOJRM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.564,279-844-9,81892-56-0,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium thiocyanate","2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium thiocyanate",[S-]C#N.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[S-]C#N.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H23N3O.CHNS/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;2-1-3/h5-12,14H,13H2,1-4H3;3H",C20H24N3O.CNS,,,,,,UDVNMMHYAYKLPV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.571,279-852-2,81921-84-8,"5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride","5-(diisopropylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium chloride",[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C,[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C,"InChI=1/C17H27N6S.ClH/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;/h8-13H,1-7H3;1H/q+1;/p-1",C17H27N6S.Cl,,,,,,JHYFBHDSJIWJDE-UHFFFAOYSA-M,,,,,,,,,,,
100.072.572,279-853-8,81930-17-8,p-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate,4-cyanophenyl 4-(4-propylcyclohexyl)benzoate,CCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N,CCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N,"InChI=1/C23H25NO2/c1-2-3-17-4-8-19(9-5-17)20-10-12-21(13-11-20)23(25)26-22-14-6-18(16-24)7-15-22/h6-7,10-15,17,19H,2-5,8-9H2,1H3",C23H25NO2,,,,,,OOACYHPBBJELLX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.574,279-855-9,81947-89-9,1-(tert-butylamino)-3-[2-(6-chloropyridazin-3-yl)phenoxy]propan-2-ol,1-(tert-butylamino)-3-[2-(6-chloropyridazin-3-yl)phenoxy]propan-2-ol,CC(C)(C)NCC(O)COc1ccccc1c2ccc(Cl)nn2,CC(C)(C)NCC(O)COc1ccccc1c2ccc(Cl)nn2,"InChI=1/C17H22ClN3O2/c1-17(2,3)19-10-12(22)11-23-15-7-5-4-6-13(15)14-8-9-16(18)21-20-14/h4-9,12,19,22H,10-11H2,1-3H3",C17H22ClN3O2,,,,,,CCDYHFOTHNDEDP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.260,268-507-1,68109-99-9,Cyclohexyl 2-methylpropyl maleate,cyclohexyl isobutyl but-2-enedioate,CC(C)COC(=O)\\C=C/C(=O)OC1CCCCC1,CC(C)COC(=O)\C=C/C(=O)OC1CCCCC1,"InChI=1/C14H22O4/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3",C14H22O4,,,,,,CNKATKALHSIDQP-HJWRWDBZSA-N,,,,,,,,,,,
100.062.267,268-515-5,68110-26-9,"4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide","4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthamide",COc4cc(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)C(N)=O)c3O)c(cc4Cl)OC,COc4cc(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)C(N)=O)c3O)c(cc4Cl)OC,"InChI=1/C27H23ClN4O6/c1-36-21-9-8-15(26(29)34)11-20(21)31-32-24-16-7-5-4-6-14(16)10-17(25(24)33)27(35)30-19-13-22(37-2)18(28)12-23(19)38-3/h4-13,33H,1-3H3,(H2,29,34)(H,30,35)",C27H23ClN4O6,,,,,,UECWPDGYSGHWIE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.278,268-527-0,68121-36-8,"2,4,4,4-tetrachlorobutyryl chloride","2,4,4,4-tetrachlorobutanoyl chloride",ClC(CC(Cl)(Cl)Cl)C(=O)Cl,ClC(CC(Cl)(Cl)Cl)C(=O)Cl,"InChI=1/C4H3Cl5O/c5-2(3(6)10)1-4(7,8)9/h2H,1H2",C4H3Cl5O,,,,,,KRNCRUFKDXQLJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.289,268-539-6,68123-08-0,Trimethyl-3-(octyloxy)propylammonium chloride,"N,N,N-trimethyl-3-(octyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCOCCC[N+](C)(C)C,[Cl-].CCCCCCCCOCCC[N+](C)(C)C,"InChI=1/C14H32NO.ClH/c1-5-6-7-8-9-10-13-16-14-11-12-15(2,3)4;/h5-14H2,1-4H3;1H/q+1;/p-1",C14H32NO.Cl,,,,,,RCXMAJLLDJYLSA-UHFFFAOYSA-M,,,,,,,,,,,
100.063.341,269-696-3,68310-08-7,"Dipotassium 1,5-dihydroxypentane-1,5-disulphonate","dipotassium 1,5-dihydroxypentane-1,5-disulfonate",[K+].[K+].OC(CCCC(O)S(=O)(=O)[O-])S(=O)(=O)[O-],[K+].[K+].OC(CCCC(O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C5H12O8S2.2K/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13;;/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2",C5H12O8S2.2K,,,,,,NHRVBNYXBCAEOI-UHFFFAOYSA-L,,,,,,,,,,,
100.072.586,279-869-5,81984-09-0,4-(decahydro-2-naphthyl) hydrogen 2-octadecenylsuccinate,2-[2-(decahydronaphthalen-2-yloxy)-2-oxoethyl]icos-4-enoate,[O-]C(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OC1CC2CCCCC2CC1,[O-]C(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OC1CC2CCCCC2CC1,"InChI=1/C32H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29(32(34)35)26-31(33)36-30-24-23-27-20-18-19-21-28(27)25-30/h16-17,27-30H,2-15,18-26H2,1H3,(H,34,35)/p-1",C32H56O4,,,,,,XSNAAKOWKQPCSO-UHFFFAOYSA-M,,,,,,,,,,,
100.072.589,279-872-1,82001-21-6,Bis(pentabromobenzyl) tetrabromophthalate,"bis(pentabromobenzyl) 3,4,5,6-tetrabromophthalate",Brc1c(Br)c(Br)c(COC(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)OCc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c1Br,Brc1c(Br)c(Br)c(COC(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)OCc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c1Br,InChI=1/C22H4Br14O4/c23-7-3(8(24)14(30)19(35)13(7)29)1-39-21(37)5-6(12(28)18(34)17(33)11(5)27)22(38)40-2-4-9(25)15(31)20(36)16(32)10(4)26/h1-2H2,C22H4Br14O4,,,,,,NIMRNRQNVGDVEU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.592,279-875-8,82009-34-5,Cilastatin,"7-[(2-amino-2-carboxyethyl)sulfanyl]-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hept-2-enoic acid",O=C(NC(=CCCCCSC[C@H](N)C(O)=O)C(O)=O)[C@H]1CC1(C)C,O=C(NC(=CCCCCSC[C@H](N)C(O)=O)C(O)=O)[C@H]1CC1(C)C,"InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)",C16H26N2O5S,,,,,,DHSUYTOATWAVLW-MNOVXSKESA-N,,,,,,,,,,,
100.064.427,270-892-6,68480-15-9,"2,4-dimethylcyclohexanemethanol","(2,4-dimethylcyclohexyl)methanol",CC1CCC(CO)C(C)C1,CC1CCC(CO)C(C)C1,"InChI=1/C9H18O/c1-7-3-4-9(6-10)8(2)5-7/h7-10H,3-6H2,1-2H3",C9H18O,,,,,,DGEPZINOUXMMAS-UHFFFAOYSA-N,,,,,,,,,,,
100.064.432,270-897-3,68480-20-6,"1-(2,2-dimethoxyethoxy)decane","1-(2,2-dimethoxyethoxy)decane",CCCCCCCCCCOCC(OC)OC,CCCCCCCCCCOCC(OC)OC,"InChI=1/C14H30O3/c1-4-5-6-7-8-9-10-11-12-17-13-14(15-2)16-3/h14H,4-13H2,1-3H3",C14H30O3,,,,,,QZLXMANORVOJAO-UHFFFAOYSA-N,,,,,,,,,,,
100.064.433,270-898-9,68480-21-7,2-methylpropyl 2-(dimethylamino)benzoate,isobutyl 2-(dimethylamino)benzoate,CC(C)COC(=O)c1ccccc1N(C)C,CC(C)COC(=O)c1ccccc1N(C)C,"InChI=1/C13H19NO2/c1-10(2)9-16-13(15)11-7-5-6-8-12(11)14(3)4/h5-8,10H,9H2,1-4H3",C13H19NO2,,,,,,KWNYRTDLTSGITQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.348,274-106-2,69766-79-6,"3-[ethyl[3-methyl-4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]propane-1,2-diol","3-(ethyl{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)propane-1,2-diol",OCC(O)CN(CC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,OCC(O)CN(CC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,"InChI=1/C15H19N5O4S/c1-3-19(8-12(22)9-21)11-4-5-13(10(2)6-11)17-18-15-16-7-14(25-15)20(23)24/h4-7,12,21-22H,3,8-9H2,1-2H3",C15H19N5O4S,,,,,,COCWIIAFGQLMGS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.353,274-112-5,69777-59-9,(S)-p-(2-methylbutyl)phenyl p-(hexyloxy)benzoate,4-(2-methylbutyl)phenyl 4-(hexyloxy)benzoate,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2,CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2,"InChI=1/C24H32O3/c1-4-6-7-8-17-26-22-15-11-21(12-16-22)24(25)27-23-13-9-20(10-14-23)18-19(3)5-2/h9-16,19H,4-8,17-18H2,1-3H3",C24H32O3,,,,,,GRCRRVLEAGHZGB-IBGZPJMESA-N,,,,,,,,,,,
100.067.356,274-115-1,69777-64-6,(S)-p-(2-methylbutyl)phenyl p-pentylbenzoate,4-(2-methylbutyl)phenyl 4-pentylbenzoate,CCCCCc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2,CCCCCc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2,"InChI=1/C23H30O2/c1-4-6-7-8-19-9-13-21(14-10-19)23(24)25-22-15-11-20(12-16-22)17-18(3)5-2/h9-16,18H,4-8,17H2,1-3H3",C23H30O2,,,,,,YCZTXNHTLUKHQL-SFHVURJKSA-N,,,,,,,,,,,
100.067.362,274-121-4,69799-37-7,"1,3-diacetoxy-1,1,3,3-tetraoctyldistannoxane","1,3-diacetoxy-1,1,3,3-tetraoctyldistannoxane",CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)C,CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)C,"InChI=1/4C8H17.2C2H4O2.O.2Sn/c4*1-3-5-7-8-6-4-2;2*1-2(3)4;;;/h4*1,3-8H2,2H3;2*1H3,(H,3,4);;;/q;;;;;;;2*+1/p-2/rC36H74O5Sn2/c1-7-11-15-19-23-27-31-42(39-35(5)37,32-28-24-20-16-12-8-2)41-43(40-36(6)38,33-29-25-21-17-13-9-3)34-30-26-22-18-14-10-4/h7-34H2,1-6H3",C36H74O5Sn2,,,,,,PWFYHTTWTFQSLE-UHFFFAOYSA-L,,,,,,,,,,,
100.067.368,274-128-2,69814-62-6,"2,2'-[(2-chloroethylidene)bis(oxy)]bispropane","2,2'-[(2-chloroethane-1,1-diyl)bis(oxy)]dipropane",CC(C)OC(CCl)OC(C)C,CC(C)OC(CCl)OC(C)C,"InChI=1/C8H17ClO2/c1-6(2)10-8(5-9)11-7(3)4/h6-8H,5H2,1-4H3",C8H17ClO2,,,,,,DYZANRMDXUPKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.369,274-129-8,69815-53-8,(2-methyl-1-naphthyl)acetonitrile,(2-methyl-1-naphthyl)acetonitrile,Cc1ccc2ccccc2c1CC#N,Cc1ccc2ccccc2c1CC#N,"InChI=1/C13H11N/c1-10-6-7-11-4-2-3-5-13(11)12(10)8-9-14/h2-7H,8H2,1H3",C13H11N,,,,,,WRJGSBPPDFYVSY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.877,276-888-0,72828-77-4,"Disodium 4-[[5-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-({5-[(3-amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc2cc(O)c(cc2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc2cc(O)c(cc2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C22H16N6O11S2.2Na/c23-14-5-11(1-2-18(14)28(32)33)24-25-15-8-16(20(30)9-19(15)29)26-27-17-6-12(40(34,35)36)3-10-4-13(41(37,38)39)7-21(31)22(10)17;;/h1-9,29-31H,23H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C22H16N6O11S2.2Na,,,,,,RCNAWNKHHOLLOE-UHFFFAOYSA-L,,,,,,,,,,,
100.069.879,276-890-1,72828-83-2,"Disodium 5-(benzoylamino)-3-[[2-(2-cyclohexylphenoxy)phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 5-(benzoylamino)-3-{[2-(2-cyclohexylphenoxy)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c6cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c6N=Nc5ccccc5Oc3ccccc3C4CCCCC4)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c6cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c6N=Nc5ccccc5Oc3ccccc3C4CCCCC4)S([O-])(=O)=O,"InChI=1/C35H31N3O9S2.2Na/c39-34-32-24(19-25(48(41,42)43)21-28(32)36-35(40)23-13-5-2-6-14-23)20-31(49(44,45)46)33(34)38-37-27-16-8-10-18-30(27)47-29-17-9-7-15-26(29)22-11-3-1-4-12-22;;/h2,5-10,13-22,39H,1,3-4,11-12H2,(H,36,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C35H31N3O9S2.2Na,,,,,,KQTYMFGDOQCFRT-UHFFFAOYSA-L,,,,,,,,,,,
100.067.396,274-159-1,69852-45-5,3-[[3-(dimethylamino)propyl]amino]propiononitrile,3-{[3-(dimethylamino)propyl]amino}propanenitrile,CN(C)CCCNCCC#N,CN(C)CCCNCCC#N,"InChI=1/C8H17N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-4,6-8H2,1-2H3",C8H17N3,,,,,,YALMGFWDBZZMMB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.399,274-162-8,69856-01-5,"N-(2-carboxyethyl)-N-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]-ß-alanine","3,3'-{[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]imino}dipropanoic acid (non-preferred name)",CCCCCCCC1=NCCN1CCN(CCC(=O)O)CCC(=O)O,CCCCCCCC1=NCCN1CCN(CCC(=O)O)CCC(=O)O,"InChI=1/C18H33N3O4/c1-2-3-4-5-6-7-16-19-10-13-21(16)15-14-20(11-8-17(22)23)12-9-18(24)25/h2-15H2,1H3,(H,22,23)(H,24,25)",C18H33N3O4,,,,,,VXWCUMLZBRJYFU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.404,274-168-0,69868-06-0,2-ethylpentadecanoic acid,2-ethylpentadecanoic acid,CCCCCCCCCCCCCC(CC)C(=O)O,CCCCCCCCCCCCCC(CC)C(=O)O,"InChI=1/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(4-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",C17H34O2,,,,,,YLHTWBSSXRGRNF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.406,274-170-1,69868-08-2,2-ethylheptadecanoic acid,2-ethylheptadecanoic acid,CCCCCCCCCCCCCCCC(CC)C(=O)O,CCCCCCCCCCCCCCCC(CC)C(=O)O,"InChI=1/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",C19H38O2,,,,,,GLPAVTPSAJIFMB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.147,276-085-5,71850-02-7,Butyl decyl adipate,butyl decyl adipate,CCCCCCCCCCOC(=O)CCCCC(=O)OCCCC,CCCCCCCCCCOC(=O)CCCCC(=O)OCCCC,"InChI=1/C20H38O4/c1-3-5-7-8-9-10-11-14-18-24-20(22)16-13-12-15-19(21)23-17-6-4-2/h3-18H2,1-2H3",C20H38O4,,,,,,CQFSFICNQMMTDC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.158,276-097-0,71850-78-7,"2,3-dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal","2,3-dimethyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-enal",CC1(C)CCCC(\\C)=C1\\CC(C)=C(C)C=O,CC1(C)CCCC(\C)=C1\CC(C)=C(C)C=O,"InChI=1/C15H24O/c1-11-7-6-8-15(4,5)14(11)9-12(2)13(3)10-16/h10H,6-9H2,1-5H3",C15H24O,,,,,,CQCCAGSSRPAZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.176,276-116-2,71873-40-0,Disodium 4-hydroxy-7-[(1-oxodecyl)amino]-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 7-(decanoylamino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3N=Nc2c(cc1cc(ccc1c2O)NC(=O)CCCCCCCCC)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3N=Nc2c(cc1cc(ccc1c2O)NC(=O)CCCCCCCCC)S([O-])(=O)=O,"InChI=1/C26H31N3O8S2.2Na/c1-2-3-4-5-6-7-8-13-24(30)27-19-14-15-20-18(16-19)17-23(39(35,36)37)25(26(20)31)29-28-21-11-9-10-12-22(21)38(32,33)34;;/h9-12,14-17,31H,2-8,13H2,1H3,(H,27,30)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C26H31N3O8S2.2Na,,,,,,AHCNAIQJRWJCRD-UHFFFAOYSA-L,,,,,,,,,,,
100.069.179,276-119-9,71873-43-3,"Tetrasodium 4,4'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(3-sulphonato-4,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]","tetrasodium 4,4'-{(1,4-dioxobut-2-ene-1,4-diyl)bis[imino(3-sulfonato-4,1-phenylene)imino]}bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc5ccc(NC(=O)C=CC(=O)Nc1ccc(cc1S([O-])(=O)=O)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc5ccc(NC(=O)C=CC(=O)Nc1ccc(cc1S([O-])(=O)=O)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,"InChI=1/C44H30N6O18S4.4Na/c45-39-31(71(63,64)65)17-27(35-37(39)43(55)23-7-3-1-5-21(23)41(35)53)47-19-9-11-25(29(15-19)69(57,58)59)49-33(51)13-14-34(52)50-26-12-10-20(16-30(26)70(60,61)62)48-28-18-32(72(66,67)68)40(46)38-36(28)42(54)22-6-2-4-8-24(22)44(38)56;;;;/h1-18,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C44H30N6O18S4.4Na,,,,,,FOQUVKSHIKKRAA-UHFFFAOYSA-J,,,,,,,,,,,
100.069.585,276-567-5,72276-07-4,"2-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl)sulphonyl]amino]ethyl acrylate","2-{methyl[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl)sulfonyl]amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C22H14F29NO4S/c1-3-8(53)56-6-5-52(2)57(54,55)7-4-9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)18(41,42)19(43,44)20(45,46)21(47,48)22(49,50)51/h3H,1,4-7H2,2H3",C22H14F29NO4S,,,,,,MHATVVUCLRUMRB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.586,276-568-0,72276-08-5,"2-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl)sulphonyl]amino]ethyl acrylate","2-{methyl[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl)sulfonyl]amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C24H14F33NO4S/c1-3-8(59)62-6-5-58(2)63(60,61)7-4-9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)17(41,42)18(43,44)19(45,46)20(47,48)21(49,50)22(51,52)23(53,54)24(55,56)57/h3H,1,4-7H2,2H3",C24H14F33NO4S,,,,,,VYFGRTSCBLVROZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.595,276-578-5,72311-96-7,2-(ethylthio)propanol,2-(ethylsulfanyl)propan-1-ol,CCSC(C)CO,CCSC(C)CO,"InChI=1/C5H12OS/c1-3-7-5(2)4-6/h5-6H,3-4H2,1-2H3",C5H12OS,,,,,,JAGOMSUTLHWFHA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.612,283-199-9,84560-11-2,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium thiocyanate","1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium thiocyanate",CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C.[S-]C#N,CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[S-]C#N,"InChI=1/C22H25N2.CHNS/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;2-1-3/h5-14,16H,15H2,1-4H3;3H/q+1;/p-1",C22H25N2.CNS,,,,,,PCCXWQUHLWDNBR-UHFFFAOYSA-M,,,,,,,,,,,
100.071.849,279-058-6,79093-72-4,"N,N,N',N'-tetramethylethylenediammonium bis(m-cresol-6-sulphonate)","N,N,N',N'-tetramethylethane-1,2-diaminium bis(2-hydroxy-4-methylbenzenesulfonate)",C[NH+](C)CC[NH+](C)C.Cc1ccc(c(O)c1)S(=O)(=O)[O-].Cc2ccc(c(O)c2)S(=O)(=O)[O-],C[NH+](C)CC[NH+](C)C.Cc1ccc(c(O)c1)S(=O)(=O)[O-].Cc2ccc(c(O)c2)S(=O)(=O)[O-],"InChI=1/2C7H8O4S.C6H16N2/c2*1-5-2-3-7(6(8)4-5)12(9,10)11;1-7(2)5-6-8(3)4/h2*2-4,8H,1H3,(H,9,10,11);5-6H2,1-4H3",C7H8O4S.1/2C6H16N2,,,,,,VUXWDSNOIHYPMA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.854,279-063-3,79102-67-3,"Dimethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bisbenzoate","dimethyl 2,2'-{1,4-phenylenebis[imino(1,3-dioxobutane-1,2-diyl)diazene-2,1-diyl]}dibenzoate",COC(=O)c3ccccc3N=NC(C(C)=O)C(=O)Nc1ccc(cc1)NC(=O)C(N=Nc2ccccc2C(=O)OC)C(C)=O,COC(=O)c3ccccc3N=NC(C(C)=O)C(=O)Nc1ccc(cc1)NC(=O)C(N=Nc2ccccc2C(=O)OC)C(C)=O,"InChI=1/C30H28N6O8/c1-17(37)25(35-33-23-11-7-5-9-21(23)29(41)43-3)27(39)31-19-13-15-20(16-14-19)32-28(40)26(18(2)38)36-34-24-12-8-6-10-22(24)30(42)44-4/h5-16,25-26H,1-4H3,(H,31,39)(H,32,40)",C30H28N6O8,,,,,,PIXYQDSJWJCYRB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.858,279-068-0,79124-75-7,3-(p-methylphenoxy)benzaldehyde,3-(4-methylphenoxy)benzaldehyde,Cc1ccc(Oc2cccc(C=O)c2)cc1,Cc1ccc(Oc2cccc(C=O)c2)cc1,"InChI=1/C14H12O2/c1-11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)10-15/h2-10H,1H3",C14H12O2,,,,,,ASKLCRGXIJGVOY-UHFFFAOYSA-N,,,,,,,,,,,
100.071.859,279-069-6,79124-76-8,"m-(3,4-dichlorophenoxy)benzaldehyde","3-(3,4-dichlorophenoxy)benzaldehyde",Clc1ccc(Oc2cccc(C=O)c2)cc1Cl,Clc1ccc(Oc2cccc(C=O)c2)cc1Cl,InChI=1/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H,C13H8Cl2O2,,,,,,ABQHJSHFFLAGHF-UHFFFAOYSA-N,,,,,,,,,,,
100.071.870,279-081-1,79135-81-2,"Trisodium 7-[[4'-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-8-hydroxynaphthalene-1,6-disulphonate","trisodium 7-[(4'-{[6-(benzoylamino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-3,3'-dimethoxybiphenyl-4-yl)diazenyl]-8-hydroxynaphthalene-1,6-disulfonate",[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(N=Nc6c(cc5cc(NC(=O)c4ccccc4)ccc5c6O)S([O-])(=O)=O)c(OC)c7,[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(N=Nc6c(cc5cc(NC(=O)c4ccccc4)ccc5c6O)S([O-])(=O)=O)c(OC)c7,"InChI=1/C41H31N5O14S3.3Na/c1-59-31-18-23(24-12-16-30(32(19-24)60-2)44-46-38-34(62(53,54)55)20-25-9-6-10-33(61(50,51)52)36(25)40(38)48)11-15-29(31)43-45-37-35(63(56,57)58)21-26-17-27(13-14-28(26)39(37)47)42-41(49)22-7-4-3-5-8-22;;;/h3-21,47-48H,1-2H3,(H,42,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3",C41H31N5O14S3.3Na,,,,,,ZIDZRFIGBBNBQM-UHFFFAOYSA-K,,,,,,,,,,,
100.071.874,279-085-3,79135-85-6,4-[[5-[(dimethylamino)sulphonyl]-2-methylphenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide,4-{[5-(dimethylsulfamoyl)-2-methylphenyl]diazenyl}-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide,COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)S(=O)(=O)N(C)C)c3O,COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)S(=O)(=O)N(C)C)c3O,"InChI=1/C27H26N4O5S/c1-17-13-14-19(37(34,35)31(2)3)16-23(17)29-30-25-20-10-6-5-9-18(20)15-21(26(25)32)27(33)28-22-11-7-8-12-24(22)36-4/h5-16,32H,1-4H3,(H,28,33)",C27H26N4O5S,,,,,,KXQNANMZAQKYPV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.501,280-873-4,83803-55-8,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-alanine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-alanine - piperidine (1:1),C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C15H18N2O4S.C5H11N/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3;1-2-4-6-5-3-1/h4-10,16H,1-3H3,(H,18,19);6H,1-5H2",C15H18N2O4S.C5H11N,,,,,,YCUBRLRZPHPCLI-PPHPATTJSA-N,,,,,,,,,,,
100.072.266,279-517-0,80623-13-8,"5-(aminosulphonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dimethoxybenzamide","N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxy-5-sulfamoylbenzamide",CCN1CCCC1CNC(=O)c2cc(cc(OC)c2OC)S(=O)(=O)N,CCN1CCCC1CNC(=O)c2cc(cc(OC)c2OC)S(=O)(=O)N,"InChI=1/C16H25N3O5S/c1-4-19-7-5-6-11(19)10-18-16(20)13-8-12(25(17,21)22)9-14(23-2)15(13)24-3/h8-9,11H,4-7,10H2,1-3H3,(H,18,20)(H2,17,21,22)",C16H25N3O5S,,,,,,VTFRBNGFKHGVAV-UHFFFAOYSA-N,,,,,,,,,,,
100.072.269,279-520-7,80632-54-8,10-acetyl-2-propionyl-10H-phenothiazine,1-(10-acetyl-10H-phenothiazin-2-yl)propan-1-one,CCC(=O)c1ccc2Sc3ccccc3N(C(=O)C)c2c1,CCC(=O)c1ccc2Sc3ccccc3N(C(=O)C)c2c1,"InChI=1/C17H15NO2S/c1-3-15(20)12-8-9-17-14(10-12)18(11(2)19)13-6-4-5-7-16(13)21-17/h4-10H,3H2,1-2H3",C17H15NO2S,,,,,,JWKIQDFPIATNFP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.271,279-522-8,80638-08-0,N-cyclohexyl-N-methyl-o-nitrobenzylamine,N-methyl-N-(2-nitrobenzyl)cyclohexanamine,CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2,CN(Cc1ccccc1[N+](=O)[O-])C2CCCCC2,"InChI=1/C14H20N2O2/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16(17)18/h5-7,10,13H,2-4,8-9,11H2,1H3",C14H20N2O2,,,,,,GDRZPWMSPDDHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.072.600,279-884-7,82010-89-7,2-(2-butenylthio)ethanol,2-(but-2-en-1-ylsulfanyl)ethanol,CC=CCSCCO,CC=CCSCCO,"InChI=1/C6H12OS/c1-2-3-5-8-6-4-7/h2-3,7H,4-6H2,1H3",C6H12OS,,,,,,CVRGMEGHJGCFII-UHFFFAOYSA-N,,,,,,,,,,,
100.072.601,279-885-2,82010-90-0,2-[(3-methylbut-3-enyl)thio]ethanol,2-[(3-methylbut-3-en-1-yl)sulfanyl]ethanol,CC(=C)CCSCCO,CC(=C)CCSCCO,"InChI=1/C7H14OS/c1-7(2)3-5-9-6-4-8/h8H,1,3-6H2,2H3",C7H14OS,,,,,,YQJTVQUVTCIFDD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.602,279-886-8,82010-91-1,2-[(2-methylbut-3-enyl)thio]ethanol,2-[(2-methylbut-3-en-1-yl)sulfanyl]ethanol,CC(CSCCO)C=C,CC(CSCCO)C=C,"InChI=1/C7H14OS/c1-3-7(2)6-9-5-4-8/h3,7-8H,1,4-6H2,2H3",C7H14OS,,,,,,MJYSSWQJAPKUNM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.605,279-889-4,82013-55-6,"N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-2H-indazol-4-amine monohydrochloride","N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-2H-indazol-4-amine hydrochloride",Cl.Cn1cc2c(NC3=NCCN3)cccc2n1,Cl.Cn1cc2c(NC3=NCCN3)cccc2n1,"InChI=1/C11H13N5.ClH/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11;/h2-4,7H,5-6H2,1H3,(H2,12,13,14);1H",C11H13N5.ClH,,,,,,CBGLNBWODNDNFK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.612,279-897-8,82080-98-6,Ammonium 7-hydroxynaphthalenesulphonate,ammonium 7-hydroxynaphthalene-1-sulfonate,[NH4+].Oc1ccc2cccc(c2c1)S(=O)(=O)[O-],[NH4+].Oc1ccc2cccc(c2c1)S(=O)(=O)[O-],"InChI=1/C10H8O4S.H3N/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;/h1-6,11H,(H,12,13,14);1H3",C10H8O4S.H3N,,,,,,YQHOCWPQHJOZNN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.306,268-557-4,68123-41-1,3-(2-carboxyethyl)-2-[2-(phenylamino)vinyl]benzoxazolium bromide,"2-(2-anilinovinyl)-3-(2-carboxyethyl)-1,3-benzoxazol-3-ium bromide",[Br-].OC(=O)CC[n+]1c(oc2ccccc12)\\C=C\\Nc3ccccc3,[Br-].OC(=O)CC[n+]1c(oc2ccccc12)\C=C\Nc3ccccc3,"InChI=1/C18H16N2O3.BrH/c21-18(22)11-13-20-15-8-4-5-9-16(15)23-17(20)10-12-19-14-6-2-1-3-7-14;/h1-10,12H,11,13H2,(H,21,22);1H",C18H17N2O3.Br,,,,,,AAALAKZAIRHZIX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.313,268-565-8,68123-48-8,"Tetrasodium 4,4'-carbonylbisphthalate","tetrasodium 4,4'-carbonyldiphthalate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-],"InChI=1/C17H10O9.4Na/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4",C17H10O9.4Na,,,,,,IWTKLQMUXFOIAG-UHFFFAOYSA-J,,,,,,,,,,,
100.063.362,269-720-2,68310-61-2,"1,1'-[iminobis(ethyleneimino)]dipropan-2-ol","1,1'-[iminobis(ethane-2,1-diylimino)]dipropan-2-ol",CC(O)CNCCNCCNCC(C)O,CC(O)CNCCNCCNCC(C)O,"InChI=1/C10H25N3O2/c1-9(14)7-12-5-3-11-4-6-13-8-10(2)15/h9-15H,3-8H2,1-2H3",C10H25N3O2,,,,,,NZUBVRAELACYSL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.367,269-726-5,68310-66-7,3-[[2-(piperazin-1-yl)ethyl]amino]propiononitrile,3-[(2-piperazin-1-ylethyl)amino]propanenitrile,N#CCCNCCN1CCNCC1,N#CCCNCCN1CCNCC1,"InChI=1/C9H18N4/c10-2-1-3-11-4-7-13-8-5-12-6-9-13/h11-12H,1,3-9H2",C9H18N4,,,,,,NSYHEQFRUDHVBP-UHFFFAOYSA-N,,,,,,,,,,,
100.063.369,269-728-6,68310-68-9,3-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]propiononitrile,3-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}propanenitrile,NCCNCCNCCNCCC#N,NCCNCCNCCNCCC#N,"InChI=1/C9H21N5/c10-2-1-4-12-6-8-14-9-7-13-5-3-11/h12-14H,1,3-9,11H2",C9H21N5,,,,,,IHUXKNVDSOLKCH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.254,275-102-3,71002-09-0,Pirazolac,[4-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]acetic acid,OC(=O)Cc1nn(cc1c2ccc(Cl)cc2)c3ccc(F)cc3,OC(=O)Cc1nn(cc1c2ccc(Cl)cc2)c3ccc(F)cc3,"InChI=1/C17H12ClFN2O2/c18-12-3-1-11(2-4-12)15-10-21(20-16(15)9-17(22)23)14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,22,23)",C17H12ClFN2O2,,,,,,YAMFWQIVVMITPG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.257,275-106-5,71002-18-1,2-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]azo]benzothiazol-6-yl thiocyanate,"({3-methyl-4-[(6-thiocyanato-1,3-benzothiazol-2-yl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c3ccc(N=Nc1nc2ccc(cc2s1)SC#N)c(C)c3,CC(=O)OCCN(CCOC(C)=O)c3ccc(N=Nc1nc2ccc(cc2s1)SC#N)c(C)c3,"InChI=1/C23H23N5O4S2/c1-15-12-18(28(8-10-31-16(2)29)9-11-32-17(3)30)4-6-20(15)26-27-23-25-21-7-5-19(33-14-24)13-22(21)34-23/h4-7,12-13H,8-11H2,1-3H3",C23H23N5O4S2,,,,,,PUGQCSKAHXIMHN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.618,279-903-9,82136-26-3,2-[[3-(dimethylamino)propyl]methylamino]ethanol,2-{[3-(dimethylamino)propyl](methyl)amino}ethanol,CN(C)CCCN(C)CCO,CN(C)CCCN(C)CCO,"InChI=1/C8H20N2O/c1-9(2)5-4-6-10(3)7-8-11/h11H,4-8H2,1-3H3",C8H20N2O,,,,,,KPRGCHOFIFFEST-UHFFFAOYSA-N,,,,,,,,,,,
100.074.250,281-701-0,84012-60-2,"Calcium 2,4-dichlorophenolate","calcium bis(2,4-dichlorophenolate)",[Ca+2].[O-]c1ccc(Cl)cc1Cl.[O-]c2ccc(Cl)cc2Cl,[Ca+2].[O-]c1ccc(Cl)cc1Cl.[O-]c2ccc(Cl)cc2Cl,"InChI=1/2C6H4Cl2O.Ca/c2*7-4-1-2-6(9)5(8)3-4;/h2*1-3,9H;/q;;+2/p-2",C6H4Cl2O.1/2Ca,,,,,,RAKYRYXQINLICD-UHFFFAOYSA-L,,,,,,,,,,,
100.068.738,275-635-1,71566-41-1,"Trisodium 2-[[2-amino-5-hydroxy-6-[[4'-[(2-hydroxy-6-sulphonato-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-7-sulphonato-1-naphthyl]azo]-5-nitrobenzoate","trisodium 2-{[2-amino-5-hydroxy-6-({4'-[(2-hydroxy-6-sulfonato-1-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}-5-nitrobenzoate",[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2c(N=Nc1ccc(cc1C([O-])=O)[N+]([O-])=O)c(N)ccc2c3O)S([O-])(=O)=O)c7ccc(N=Nc5c6ccc(cc6ccc5O)S([O-])(=O)=O)c(OC)c7,[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2c(N=Nc1ccc(cc1C([O-])=O)[N+]([O-])=O)c(N)ccc2c3O)S([O-])(=O)=O)c7ccc(N=Nc5c6ccc(cc6ccc5O)S([O-])(=O)=O)c(OC)c7,"InChI=1/C41H30N8O14S2.3Na/c1-62-34-16-20(3-11-31(34)44-47-38-25-8-7-24(64(56,57)58)15-22(25)5-14-33(38)50)21-4-12-32(35(17-21)63-2)45-48-39-36(65(59,60)61)19-27-26(40(39)51)9-10-29(42)37(27)46-43-30-13-6-23(49(54)55)18-28(30)41(52)53;;;/h3-19,50-51H,42H2,1-2H3,(H,52,53)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3",C41H30N8O14S2.3Na,,,,,,BALFZTQCTLFCIQ-UHFFFAOYSA-K,,,,,,,,,,,
100.068.745,275-643-5,71566-76-2,3-(ethylimino)-2-methyl-N-(o-tolyl)-3H-phenoxazin-7-amine,3-(ethylimino)-2-methyl-N-(2-methylphenyl)-3H-phenoxazin-7-amine,Cc4ccccc4Nc1ccc2\\N=C3\\C=C(\\C)C(=NCC)/C=C3/Oc2c1,Cc4ccccc4Nc1ccc2\N=C3\C=C(\C)C(=NCC)/C=C3/Oc2c1,"InChI=1/C22H21N3O/c1-4-23-19-13-22-20(11-15(19)3)25-18-10-9-16(12-21(18)26-22)24-17-8-6-5-7-14(17)2/h5-13,24H,4H2,1-3H3",C22H21N3O,,,,,,AVGOJIBLEFBGQT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.888,276-900-4,72829-09-5,"1,12-dodecanediyl bismethacrylate","dodecane-1,12-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C,CC(=C)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C20H34O4/c1-17(2)19(21)23-15-13-11-9-7-5-6-8-10-12-14-16-24-20(22)18(3)4/h1,3,5-16H2,2,4H3",C20H34O4,,,,,,HYQASEVIBPSPMK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.891,276-904-6,72829-12-0,"Disodium 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate","disodium 5-[(4-{[4-({2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]carbamoyl}phenyl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(N)c(C)cc(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N)cc5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(N)c(C)cc(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N)cc5,"InChI=1/C33H27N9O7S.2Na/c1-18-16-27(41-38-23-10-13-25(14-11-23)50(47,48)49)30(35)31(29(18)34)42-39-22-8-6-20(7-9-22)36-32(44)19-2-4-21(5-3-19)37-40-24-12-15-28(43)26(17-24)33(45)46;;/h2-17,43H,34-35H2,1H3,(H,36,44)(H,45,46)(H,47,48,49);;/q;2*+1/p-2",C33H27N9O7S.2Na,,,,,,IDQIUSUZMLRVBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.896,276-909-3,72829-23-3,1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetate,1-{2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium acetate,[O-]C(C)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3,[O-]C(C)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3,"InChI=1/C22H21N6O2.C2H4O2/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;1-2(3)4/h3-13,16H,2,14-15H2,1H3;1H3,(H,3,4)/q+1;/p-1",C22H21N6O2.C2H3O2,,,,,,LKUAIRFCEGWJMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.898,276-911-4,72829-25-5,"Trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(CC)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(CC)c5ccccc5,"InChI=1/C27H22ClN7O10S3.3Na/c1-2-35(16-8-4-3-5-9-16)27-31-25(28)30-26(32-27)29-19-14-17(46(37,38)39)12-15-13-21(48(43,44)45)23(24(36)22(15)19)34-33-18-10-6-7-11-20(18)47(40,41)42;;;/h3-14,36H,2H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",C27H22ClN7O10S3.3Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17878,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.898,QJCOOZSSWORRPC-UHFFFAOYSA-K,,,,,,,,,,,
100.069.902,276-916-1,72829-29-9,5-[2-nitro-4-[anilinosulphonyl]anilino]-2-anilinobenzenesulphonic acid,2-anilino-5-{[2-nitro-4-(phenylsulfamoyl)phenyl]amino}benzenesulfonic acid,OS(=O)(=O)c1cc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3ccccc3)ccc1Nc4ccccc4,OS(=O)(=O)c1cc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3ccccc3)ccc1Nc4ccccc4,"InChI=1/C24H20N4O7S2/c29-28(30)23-16-20(36(31,32)27-18-9-5-2-6-10-18)12-14-21(23)26-19-11-13-22(24(15-19)37(33,34)35)25-17-7-3-1-4-8-17/h1-16,25-27H,(H,33,34,35)",C24H20N4O7S2,,,,,,SACDZYZLZGGBFR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.910,276-925-0,72830-04-7,"Ethyl 2-formyl-3-(3,4,5-trimethoxyphenyl)propionate","ethyl 2-formyl-3-(3,4,5-trimethoxyphenyl)propanoate",CCOC(=O)C(Cc1cc(OC)c(OC)c(OC)c1)C=O,CCOC(=O)C(Cc1cc(OC)c(OC)c(OC)c1)C=O,"InChI=1/C15H20O6/c1-5-21-15(17)11(9-16)6-10-7-12(18-2)14(20-4)13(8-10)19-3/h7-9,11H,5-6H2,1-4H3",C15H20O6,,,,,,ODVAHXXEWDFYCX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.911,276-926-6,72830-39-8,Oxmetidine,"5-(1,3-benzodioxol-5-ylmethyl)-2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]pyrimidin-4(1H)-one",Cc1[nH]cnc1CSCCNC2=NC(=O)C(=CN2)Cc3ccc4OCOc4c3,Cc1[nH]cnc1CSCCNC2=NC(=O)C(=CN2)Cc3ccc4OCOc4c3,"InChI=1/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)",C19H21N5O3S,,,,,,YTBDPHYVGACIPC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.912,276-927-1,72836-35-2,"5-(ethylsulphonyl)-N-methyl-1,3,4-thiadiazol-2-amine","5-(ethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine",CCS(=O)(=O)c1nnc(NC)s1,CCS(=O)(=O)c1nnc(NC)s1,"InChI=1/C5H9N3O2S2/c1-3-12(9,10)5-8-7-4(6-2)11-5/h3H2,1-2H3,(H,6,7)",C5H9N3O2S2,,,,,,ISONFYGBTNNSIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.915,276-930-8,72845-38-6,3-methylpent-3-en-1-yl propionate,3-methylpent-3-en-1-yl propionate,CC=C(C)CCOC(=O)CC,CC=C(C)CCOC(=O)CC,"InChI=1/C9H16O2/c1-4-8(3)6-7-11-9(10)5-2/h4H,5-7H2,1-3H3",C9H16O2,,,,,,ZJPCSTFVJLTLHN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.604,276-587-4,72324-18-6,Stepronin,N-{2-[(2-thienylcarbonyl)sulfanyl]propanoyl}glycine,CC(SC(=O)c1cccs1)C(=O)NCC(=O)O,CC(SC(=O)c1cccs1)C(=O)NCC(=O)O,"InChI=1/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)",C10H11NO4S2,,,,,,JNYSEDHQJCOWQU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.605,276-589-5,72330-33-7,"2,5-dichloro-4-[4-[(4-dodecylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","2,5-dichloro-4-{4-[(4-dodecylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(CCCCCCCCCCCC)cc2)C3=O,OS(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(CCCCCCCCCCCC)cc2)C3=O,"InChI=1/C28H36Cl2N4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-22(17-15-21)31-32-27-20(2)33-34(28(27)35)25-18-24(30)26(19-23(25)29)39(36,37)38/h14-19,27H,3-13H2,1-2H3,(H,36,37,38)",C28H36Cl2N4O4S,,,,,,SIWFBKUKQZOOAO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.615,276-600-3,72361-42-3,"1-[2-cyano-4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-1-thioxobut-2-enyl]pyrrolidine","4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-2-(pyrrolidin-1-ylcarbonothioyl)but-2-enenitrile",N#CC(=CC=C1OC(\\C)=N/N1C)C(=S)N2CCCC2,N#CC(=CC=C1OC(\C)=N/N1C)C(=S)N2CCCC2,"InChI=1/C13H16N4OS/c1-10-15-16(2)12(18-10)6-5-11(9-14)13(19)17-7-3-4-8-17/h5-6H,3-4,7-8H2,1-2H3",C13H16N4OS,,,,,,PWZIYLLXMZBGQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.617,276-602-4,72363-26-9,"4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-N-(3-ethoxypropyl)benzenesulphonamide","4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-N-(3-ethoxypropyl)benzenesulfonamide",CCOCCCNS(=O)(=O)c1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,CCOCCCNS(=O)(=O)c1ccc(Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C25H24N2O7S/c1-2-33-13-5-12-27-35(31,32)16-10-8-15(9-11-16)34-20-14-19(28)21-22(23(20)26)25(30)18-7-4-3-6-17(18)24(21)29/h3-4,6-11,14,27-28H,2,5,12-13,26H2,1H3",C25H24N2O7S,,,,,,ALXCWDABTQQKAH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.618,276-604-5,72370-19-5,5-(bromoacetyl)-2-(phenylmethoxy)benzamide,2-(benzyloxy)-5-(bromoacetyl)benzamide,NC(=O)c1cc(ccc1OCc2ccccc2)C(=O)CBr,NC(=O)c1cc(ccc1OCc2ccccc2)C(=O)CBr,"InChI=1/C16H14BrNO3/c17-9-14(19)12-6-7-15(13(8-12)16(18)20)21-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,20)",C16H14BrNO3,,,,,,LUQQESVFZAPODX-UHFFFAOYSA-N,,,,,,,,,,,
100.066.303,272-955-3,68921-73-3,N-[2-[(2-aminoethyl)amino]ethyl]-3-hydroxynaphthalene-2-carboxamide dihydrochloride,N-{2-[(2-aminoethyl)amino]ethyl}-3-hydroxy-2-naphthamide dihydrochloride,Cl.Cl.NCCNCCNC(=O)c1cc2ccccc2cc1O,Cl.Cl.NCCNCCNC(=O)c1cc2ccccc2cc1O,"InChI=1/C15H19N3O2.2ClH/c16-5-6-17-7-8-18-15(20)13-9-11-3-1-2-4-12(11)10-14(13)19;;/h1-4,9-10,17,19H,5-8,16H2,(H,18,20);2*1H",C15H19N3O2.2ClH,,,,,,KZWLHUOWZWMZOI-UHFFFAOYSA-N,,,,,,,,,,,
100.066.308,272-961-6,68921-78-8,"4,5-dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium iodide","3-methyl-2-[3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].CN2CCSC2=CC=CC=1SCC[N+]=1C,[I-].CN2CCSC2=CC=CC=1SCC[N+]=1C,"InChI=1/C11H17N2S2.HI/c1-12-6-8-14-10(12)4-3-5-11-13(2)7-9-15-11;/h3-5H,6-9H2,1-2H3;1H/q+1;/p-1",C11H17N2S2.I,,,,,,GFUDPZJNWBVNSF-UHFFFAOYSA-M,,,,,,,,,,,
100.066.310,272-963-7,68921-82-4,1-methyl-4-(1-methylvinyl)cyclohexanethiol,4-isopropenyl-1-methylcyclohexanethiol,CC(=C)C1CCC(C)(S)CC1,CC(=C)C1CCC(C)(S)CC1,"InChI=1/C10H18S/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3",C10H18S,,,,,,NNHMUEBTWCOFED-UHFFFAOYSA-N,,,,,,,,,,,
100.066.312,272-965-8,68921-89-1,4-(methoxymethyl)benzophenone,[4-(methoxymethyl)phenyl](phenyl)methanone,COCc1ccc(cc1)C(=O)c2ccccc2,COCc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C15H14O2/c1-17-11-12-7-9-14(10-8-12)15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3",C15H14O2,,,,,,NLNLATCMOFUMFV-UHFFFAOYSA-N,,,,,,,,,,,
100.066.313,272-966-3,68921-90-4,"Calcium bis[(R)-2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]ethane-1-sulphonate]","calcium bis{2-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]ethanesulfonate}",[Ca+2].CC(C)(CO)[C@@H](O)C(=O)NCCS(=O)(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCS(=O)(=O)[O-],[Ca+2].CC(C)(CO)[C@@H](O)C(=O)NCCS(=O)(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCS(=O)(=O)[O-],"InChI=1/2C8H17NO6S.Ca/c2*1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15;/h2*6,10-11H,3-5H2,1-2H3,(H,9,12)(H,13,14,15);/q;;+2/p-2",C8H17NO6S.xCa,,,,,,BSTCGMAEJATNRU-UAIGZDOSSA-L,,,,,,,,,,,
100.066.318,272-972-6,68921-95-9,"2,3-dihydro-2-hydroxy-2-phenyl-1H-pyrimidin-4-one","2-hydroxy-2-phenyl-2,3-dihydropyrimidin-4(1H)-one",OC1(NC=CC(=O)N1)c2ccccc2,OC1(NC=CC(=O)N1)c2ccccc2,"InChI=1/C10H10N2O2/c13-9-6-7-11-10(14,12-9)8-4-2-1-3-5-8/h1-7,11,14H,(H,12,13)",C10H10N2O2,,,,,,MPFIRKHWYHEHGW-UHFFFAOYSA-N,,,,,,,,,,,
100.066.320,272-974-7,68922-00-9,Non-2-enyl butyrate,non-2-en-1-yl butyrate,CCCC(=O)OCC=CCCCCCC,CCCC(=O)OCC=CCCCCCC,"InChI=1/C13H24O2/c1-3-5-6-7-8-9-10-12-15-13(14)11-4-2/h9-10H,3-8,11-12H2,1-2H3",C13H24O2,,,,,,JTZDGEKMDBKLAI-UHFFFAOYSA-N,,,,,,,,,,,
100.066.323,272-977-3,68922-05-4,(2-furylthio)acetaldehyde,(2-furylsulfanyl)acetaldehyde,O=CCSc1occc1,O=CCSc1occc1,"InChI=1/C6H6O2S/c7-3-5-9-6-2-1-4-8-6/h1-4H,5H2",C6H6O2S,,,,,,GVJSZSKAOYMXAT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.272,279-523-3,80638-10-4,Cyclooct-4-en-1-yl formate,cyclooct-4-en-1-yl formate,O=COC1CCCC=CCC1,O=COC1CCCC=CCC1,"InChI=1/C9H14O2/c10-8-11-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2",C9H14O2,,,,,,MOODCRUVWQJONR-UPHRSURJSA-N,,,,,,,,,,,
100.072.278,279-530-1,80687-78-1,5-oxo-1-(1-oxoallyl)-L-proline,1-acryloyl-5-oxo-L-proline,OC(=O)[C@@H]1CCC(=O)N1C(=O)C=C,OC(=O)[C@@H]1CCC(=O)N1C(=O)C=C,"InChI=1/C8H9NO4/c1-2-6(10)9-5(8(12)13)3-4-7(9)11/h2,5H,1,3-4H2,(H,12,13)",C8H9NO4,,,,,,FOBLXEJBFVVAKZ-YFKPBYRVSA-N,,,,,,,,,,,
100.072.287,279-540-6,80756-85-0,"S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate","S-1,3-benzothiazol-2-yl (2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate",CO\\N=C(/C(=O)Sc1nc2ccccc2s1)\\c3csc(N)n3,CO\N=C(/C(=O)Sc1nc2ccccc2s1)\c3csc(N)n3,"InChI=1/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)",C13H10N4O2S3,,,,,,COFDRZLHVALCDU-YVLHZVERSA-N,,,,,,,,,,,
100.072.288,279-541-1,80762-96-5,"1,2-bis(1,1-dimethylethoxy)propane","1,2-di-tert-butoxypropane",CC(COC(C)(C)C)OC(C)(C)C,CC(COC(C)(C)C)OC(C)(C)C,"InChI=1/C11H24O2/c1-9(13-11(5,6)7)8-12-10(2,3)4/h9H,8H2,1-7H3",C11H24O2,,,,,,IVZAIGFRIOMAIK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.733,281-131-2,83863-66-5,"1'-[4-(4-fluorophenyl)-4-oxobutyl][1,4'-bipiperidine]-4'-carboxamide dinitrate","1'-[4-(4-fluorophenyl)-4-oxobutyl]-1,4'-bipiperidine-4'-carboxamide dinitrate",NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3.O[N+](=O)[O-].O[N+](=O)[O-],NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3.O[N+](=O)[O-].O[N+](=O)[O-],"InChI=1/C21H30FN3O2.2HNO3/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;2*2-1(3)4/h6-9H,1-5,10-16H2,(H2,23,27);2*(H,2,3,4)",C21H30FN3O2.2HNO3,,,,,,OINAKTYQWKJYEH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.738,281-137-5,83863-71-2,Ethyl cis-4-amino-3-methoxypiperidine-1-carboxylate monohydrochloride,ethyl 4-amino-3-methoxypiperidine-1-carboxylate hydrochloride,Cl.CCOC(=O)N1CC[C@@H](N)[C@H](C1)OC,Cl.CCOC(=O)N1CC[C@@H](N)[C@H](C1)OC,"InChI=1/C9H18N2O3.ClH/c1-3-14-9(12)11-5-4-7(10)8(6-11)13-2;/h7-8H,3-6,10H2,1-2H3;1H",C9H18N2O3.ClH,,,,,,JUIQWDFWJKAYQH-WLYNEOFISA-N,,,,,,,,,,,
100.073.740,281-139-6,83863-73-4,"Ethyl 3,4,4-trimethoxypiperidine-1-carboxylate","ethyl 3,4,4-trimethoxypiperidine-1-carboxylate",CCOC(=O)N1CCC(OC)(OC)C(C1)OC,CCOC(=O)N1CCC(OC)(OC)C(C1)OC,"InChI=1/C11H21NO5/c1-5-17-10(13)12-7-6-11(15-3,16-4)9(8-12)14-2/h9H,5-8H2,1-4H3",C11H21NO5,,,,,,IRFADAQNHJWEIN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.742,281-141-7,83863-75-6,4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidyl decanoate hydrochloride,4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl decanoate hydrochloride,Cl.CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3,Cl.CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3,"InChI=1/C31H41BrFNO3.ClH/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25;/h12-19H,2-11,20-24H2,1H3;1H",C31H41BrFNO3.ClH,,,,,,KWIHTJZYLLHSTE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.745,281-144-3,83863-78-9,"3-carbamoyl-N-(2,6-dichlorophenyl)piperazine-1-acetamide","4-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}piperazine-2-carboxamide",NC(=O)C1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1,NC(=O)C1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1,"InChI=1/C13H16Cl2N4O2/c14-8-2-1-3-9(15)12(8)18-11(20)7-19-5-4-17-10(6-19)13(16)21/h1-3,10,17H,4-7H2,(H2,16,21)(H,18,20)",C13H16Cl2N4O2,,,,,,MHLJEWPCJZYGOE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.380,282-944-5,84473-88-1,Aluminium 3-[(4-anilinophenyl)azo]benzenesulphonate,aluminum tris{3-[(4-anilinophenyl)diazenyl]benzenesulfonate},[Al+3].[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3.[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3.[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3,[Al+3].[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3.[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3.[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3,"InChI=1/3C18H15N3O3S.Al/c3*22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h3*1-13,19H,(H,22,23,24);/q;;;+3/p-3",C18H15N3O3S.1/3Al,,,,,,QIROOMMLQTVTNH-UHFFFAOYSA-K,,,,,,,,,,,
100.076.501,284-181-3,84803-55-4,Hexahydro-2H-azocine-1-acetonitrile,azocan-1-ylacetonitrile,N#CCN1CCCCCCC1,N#CCN1CCCCCCC1,"InChI=1/C9H16N2/c10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-9H2",C9H16N2,,,,,,HTWWMEWXLRWYHS-UHFFFAOYSA-N,,,,,,,,,,,
100.076.513,284-194-4,84803-67-8,"5-acetyl-10,11-dihydro-5H-dibenz[b,f]azepin-3-amine","5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-amine",CC(=O)N1c2ccccc2CCc3ccc(N)cc13,CC(=O)N1c2ccccc2CCc3ccc(N)cc13,"InChI=1/C16H16N2O/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7,17H2,1H3",C16H16N2O,,,,,,SEUMPHLDWPKWRO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.525,284-207-3,84812-64-6,"Ethyl 3-(2,6-dimethylhept-5-enyl)oxirane-2-carboxylate","ethyl 3-(2,6-dimethylhept-5-en-1-yl)oxirane-2-carboxylate",CCOC(=O)C1OC1CC(C)CCC=C(C)C,CCOC(=O)C1OC1CC(C)CCC=C(C)C,"InChI=1/C14H24O3/c1-5-16-14(15)13-12(17-13)9-11(4)8-6-7-10(2)3/h7,11-13H,5-6,8-9H2,1-4H3",C14H24O3,,,,,,KDBDUDZPUPAHKY-UHFFFAOYSA-N,,,,,,,,,,,
100.076.527,284-209-4,84812-66-8,Ethyl 2-(2-methyl-1-oxopropyl)cyclohexaneacetate,ethyl (2-isobutyrylcyclohexyl)acetate,CCOC(=O)CC1CCCCC1C(=O)C(C)C,CCOC(=O)CC1CCCCC1C(=O)C(C)C,"InChI=1/C14H24O3/c1-4-17-13(15)9-11-7-5-6-8-12(11)14(16)10(2)3/h10-12H,4-9H2,1-3H3",C14H24O3,,,,,,UOHCVAKXGKIYPN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.259,281-711-5,84019-91-0,4-allyl-1-butoxy-2-methoxybenzene,4-allyl-1-butoxy-2-methoxybenzene,CCCCOc1ccc(CC=C)cc1OC,CCCCOc1ccc(CC=C)cc1OC,"InChI=1/C14H20O2/c1-4-6-10-16-13-9-8-12(7-5-2)11-14(13)15-3/h5,8-9,11H,2,4,6-7,10H2,1,3H3",C14H20O2,,,,,,UHKLUPWESCIICB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.268,281-720-4,84029-48-1,Sodium 7-acetamidonaphthalene-1-sulphonate,sodium 7-acetamidonaphthalene-1-sulfonate,[Na+].CC(=O)Nc1ccc2cccc(c2c1)S(=O)(=O)[O-],[Na+].CC(=O)Nc1ccc2cccc(c2c1)S(=O)(=O)[O-],"InChI=1/C12H11NO4S.Na/c1-8(14)13-10-6-5-9-3-2-4-12(11(9)7-10)18(15,16)17;/h2-7H,1H3,(H,13,14)(H,15,16,17);/q;+1/p-1",C12H11NO4S.Na,,,,,,WFBFTGQODPJLSG-UHFFFAOYSA-M,,,,,,,,,,,
100.074.283,281-737-7,84029-68-5,1-(tert-butyl)-6-methylnaphthalene,1-tert-butyl-6-methylnaphthalene,Cc1ccc2c(cccc2c1)C(C)(C)C,Cc1ccc2c(cccc2c1)C(C)(C)C,"InChI=1/C15H18/c1-11-8-9-13-12(10-11)6-5-7-14(13)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,SQYCYQDFEIGGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.074.284,281-738-2,84029-69-6,2-(tert-butyl)-6-methylnaphthalene,2-tert-butyl-6-methylnaphthalene,Cc1ccc2cc(ccc2c1)C(C)(C)C,Cc1ccc2cc(ccc2c1)C(C)(C)C,"InChI=1/C15H18/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11/h5-10H,1-4H3",C15H18,,,,,,NHFXGOBYADCNHS-UHFFFAOYSA-N,,,,,,,,,,,
100.074.286,281-740-3,84029-71-0,1-(tert-butyl)-7-methylnaphthalene,1-tert-butyl-7-methylnaphthalene,Cc1ccc2cccc(c2c1)C(C)(C)C,Cc1ccc2cccc(c2c1)C(C)(C)C,"InChI=1/C15H18/c1-11-8-9-12-6-5-7-14(13(12)10-11)15(2,3)4/h5-10H,1-4H3",C15H18,,,,,,YSHYBCQVNBGVCT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.264,275-113-3,71002-32-9,"Bicyclo[2.2.1]hept-5-en-2-ylmethyl bis[(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl] phosphite","bicyclo[2.2.1]hept-5-en-2-ylmethyl bis(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-ylmethyl) phosphite",C(OP(OCC1CC2CC1C3C4CC(C=C4)C23)OCC5CC6CC5C7C8CC(C=C8)C67)C9CC%10CC9C=C%10,C(OP(OCC1CC2CC1C3C4CC(C=C4)C23)OCC5CC6CC5C7C8CC(C=C8)C67)C9CC%10CC9C=C%10,"InChI=1/C34H45O3P/c1-2-19-7-18(1)8-26(19)15-35-38(36-16-27-11-24-13-29(27)33-22-5-3-20(9-22)31(24)33)37-17-28-12-25-14-30(28)34-23-6-4-21(10-23)32(25)34/h1-6,18-34H,7-17H2",C34H45O3P,,,,,,UFQSSUYAFFNWOS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.282,275-133-2,71029-16-8,"1,1'-ethylenebis(3,3,5,5-tetramethylpiperazinone)","1,1'-ethane-1,2-diylbis(3,3,5,5-tetramethylpiperazin-2-one)",CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1,CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1,"InChI=1/C18H34N4O2/c1-15(2)11-21(13(23)17(5,6)19-15)9-10-22-12-16(3,4)20-18(7,8)14(22)24/h19-20H,9-12H2,1-8H3",C18H34N4O2,,,,,,GUCMKIKYKIHUTM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.295,275-147-9,71033-17-5,"Tetrasodium 2-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-6-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate","tetrasodium 2-[(4-{[4-({6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-2,5-dimethoxyphenyl]diazenyl}-6-sulfonato-1-naphthyl)diazenyl]benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].COc7cc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)c(cc7N=Nc6c(cc5cc(NC(=O)c4ccc(N)cc4)ccc5c6O)S([O-])(=O)=O)OC,[Na+].[Na+].[Na+].[Na+].COc7cc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)c(cc7N=Nc6c(cc5cc(NC(=O)c4ccc(N)cc4)ccc5c6O)S([O-])(=O)=O)OC,"InChI=1/C41H32N8O16S4.4Na/c1-64-35-20-33(47-49-39-38(69(61,62)63)16-22-15-24(7-10-27(22)40(39)50)43-41(51)21-3-5-23(42)6-4-21)36(65-2)19-32(35)46-45-31-13-12-30(28-11-8-25(17-29(28)31)66(52,53)54)44-48-34-18-26(67(55,56)57)9-14-37(34)68(58,59)60;;;;/h3-20,50H,42H2,1-2H3,(H,43,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4",C41H32N8O16S4.4Na,,,,,,YJEUADMQSUSXAD-UHFFFAOYSA-J,,,,,,,,,,,
100.077.498,285-278-3,85050-06-2,"2-[[5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]methyl]-1-methylquinolinium methyl sulphate","2-({5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene}methyl)-1-methylquinolinium methyl sulfate",[O-]S(=O)(=O)OC.COC(=O)c1ccc(cc1)C/4=N/N(C)C(=Cc2ccc3ccccc3[n+]2C)S\\4,[O-]S(=O)(=O)OC.COC(=O)c1ccc(cc1)C/4=N/N(C)C(=Cc2ccc3ccccc3[n+]2C)S\4,"InChI=1/C22H20N3O2S.CH4O4S/c1-24-18(13-12-15-6-4-5-7-19(15)24)14-20-25(2)23-21(28-20)16-8-10-17(11-9-16)22(26)27-3;1-5-6(2,3)4/h4-14H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C22H20N3O2S.CH3O4S,,,,,,MGBJLQOGUZXASV-UHFFFAOYSA-M,,,,,,,,,,,
100.072.381,279-643-6,80997-83-7,"Benzoic acid, compound with a-[(methylamino)methyl]benzyl alcohol (1:1)",2-(methylamino)-1-phenylethanol benzoate (salt),CNCC(O)c1ccccc1.OC(=O)c2ccccc2,CNCC(O)c1ccccc1.OC(=O)c2ccccc2,"InChI=1/C9H13NO.C7H6O2/c1-10-7-9(11)8-5-3-2-4-6-8;8-7(9)6-4-2-1-3-5-6/h2-6,9-11H,7H2,1H3;1-5H,(H,8,9)",C9H13NO.C7H6O2,,,,,,WZUAODKTEPQILD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.383,279-645-7,80997-85-9,"4,5-dihydro-3-(pyridin-4-yl)-2H-benz[g]indazole methanesulphonate","3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indazole methanesulfonate",CS(=O)(=O)O.C1Cc2c(n[nH]c2c3ccccc13)c4ccncc4,CS(=O)(=O)O.C1Cc2c(n[nH]c2c3ccccc13)c4ccncc4,"InChI=1/C16H13N3.CH4O3S/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12;1-5(2,3)4/h1-4,7-10H,5-6H2,(H,18,19);1H3,(H,2,3,4)",C16H13N3.CH4O3S,,,,,,SGKSWXAABLWFHI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.391,279-654-6,81010-24-4,Ethyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate,ethyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate,CCOC(=O)N1CCC(O)(CC1)c2ccc(Br)cc2,CCOC(=O)N1CCC(O)(CC1)c2ccc(Br)cc2,"InChI=1/C14H18BrNO3/c1-2-19-13(17)16-9-7-14(18,8-10-16)11-3-5-12(15)6-4-11/h3-6,18H,2,7-10H2,1H3",C14H18BrNO3,,,,,,ZHNGYEXRMKGVBY-UHFFFAOYSA-N,,,,,,,,,,,
100.066.009,272-631-1,68900-80-1,(E)-dihexyloct-1-enylaluminium,dihexyl(oct-1-en-1-yl)aluminum,CCCCCC\\C=C\\[Al](CCCCCC)CCCCCC,CCCCCC\C=C\[Al](CCCCCC)CCCCCC,"InChI=1/C8H15.2C6H13.Al/c1-3-5-7-8-6-4-2;2*1-3-5-6-4-2;/h1,3H,4-8H2,2H3;2*1,3-6H2,2H3;/rC20H41Al/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h17,20H,4-16,18-19H2,1-3H3",C20H41Al,,,,,,KQDXBDSBTFZXIN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.015,272-637-4,68900-86-7,(E)-tetradec-3-enol,tetradec-3-en-1-ol,CCCCCCCCCC\\C=C\\CCO,CCCCCCCCCC\C=C\CCO,"InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12,15H,2-10,13-14H2,1H3",C14H28O,,,,,,DQELOVNSWGCVQZ-VAWYXSNFSA-N,,,,,,,,,,,
100.066.017,272-640-0,68900-88-9,(E)-6-methylhept-3-en-1-ol,6-methylhept-3-en-1-ol,CC(C)C\\C=C\\CCO,CC(C)C\C=C\CCO,"InChI=1/C8H16O/c1-8(2)6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3",C8H16O,,,,,,ORDORPRDJRJHON-ONEGZZNKSA-N,,,,,,,,,,,
100.066.020,272-643-7,68900-94-7,2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl stearate,2-{[2-(stearoylamino)ethyl]amino}ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)NCCNCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCNCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)42-36-35-41-37-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-38H2,1-2H3,(H,42,43)",C40H80N2O3,,,,,,IMHKFOMOEOAPQF-UHFFFAOYSA-N,,,,,,,,,,,
100.066.021,272-644-2,68900-95-8,"N-[6-[(2-cyano-4,6-dinitrophenyl)azo]-1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-7-yl]propionamide","N-{6-[(2-cyano-4,6-dinitrophenyl)diazenyl]-1-ethyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-7-yl}propanamide",[O-][N+](=O)c3cc(cc(C#N)c3N=Nc1cc2c(cc1NC(=O)CC)N(CC)C(C)(C)CC2C)[N+]([O-])=O,[O-][N+](=O)c3cc(cc(C#N)c3N=Nc1cc2c(cc1NC(=O)CC)N(CC)C(C)(C)CC2C)[N+]([O-])=O,"InChI=1/C24H27N7O5/c1-6-22(32)26-18-11-20-17(14(3)12-24(4,5)29(20)7-2)10-19(18)27-28-23-15(13-25)8-16(30(33)34)9-21(23)31(35)36/h8-11,14H,6-7,12H2,1-5H3,(H,26,32)",C24H27N7O5,,,,,,AHKSRSQWXRJWII-UHFFFAOYSA-N,,,,,,,,,,,
100.066.026,272-650-5,68901-07-5,5-(3-methyl-4-phenylthiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid,"[5-(3-methyl-4-phenyl-1,3-thiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",OC(=O)CN3C(=S)SC(=C1S\\C=C(/N1C)c2ccccc2)C3=O,OC(=O)CN3C(=S)SC(=C1S\C=C(/N1C)c2ccccc2)C3=O,"InChI=1/C15H12N2O3S3/c1-16-10(9-5-3-2-4-6-9)8-22-14(16)12-13(20)17(7-11(18)19)15(21)23-12/h2-6,8H,7H2,1H3,(H,18,19)",C15H12N2O3S3,,,,,,NGCHMQBCOUHPJH-UHFFFAOYSA-N,,,,,,,,,,,
100.066.033,272-657-3,68901-15-5,Allyl (cyclohexyloxy)acetate,allyl (cyclohexyloxy)acetate,C=CCOC(=O)COC1CCCCC1,C=CCOC(=O)COC1CCCCC1,"InChI=1/C11H18O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2,10H,1,3-9H2",C11H18O3,,,,,,MBUYSYKXSMTIPP-UHFFFAOYSA-N,,,,,,,,,,,
100.066.034,272-658-9,68901-16-6,1-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-3-phenylurea,1-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-3-phenylurea,Cn1ccnc1SCNC(=O)Nc2ccccc2,Cn1ccnc1SCNC(=O)Nc2ccccc2,"InChI=1/C12H14N4OS/c1-16-8-7-13-12(16)18-9-14-11(17)15-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,14,15,17)",C12H14N4OS,,,,,,QXCZFWVPQNGGCS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.036,272-661-5,68901-18-8,1-chloro-3-[1-(chloromethyl)-2-(2-pyridylamino)ethoxy]propan-2-ol,1-chloro-3-{2-chloro-1-[(pyridin-2-ylamino)methyl]ethoxy}propan-2-ol,OC(CCl)COC(CCl)CNc1ccccn1,OC(CCl)COC(CCl)CNc1ccccn1,"InChI=1/C11H16Cl2N2O2/c12-5-9(16)8-17-10(6-13)7-15-11-3-1-2-4-14-11/h1-4,9-10,16H,5-8H2,(H,14,15)",C11H16Cl2N2O2,,,,,,JFIKCGBOLQRWNX-UHFFFAOYSA-N,,,,,,,,,,,
100.066.038,272-663-6,68901-20-2,3-[[(dimethylamino)thioxomethyl]thio]propanesulphonic acid,3-[(dimethylcarbamothioyl)sulfanyl]propane-1-sulfonic acid,CN(C)C(=S)SCCCS(=O)(=O)O,CN(C)C(=S)SCCCS(=O)(=O)O,"InChI=1/C6H13NO3S3/c1-7(2)6(11)12-4-3-5-13(8,9)10/h3-5H2,1-2H3,(H,8,9,10)",C6H13NO3S3,,,,,,WRBSVISDQAINGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.043,272-668-3,68901-25-7,"Thiodinaphthalene-1,2-diyl tetrakis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","sulfanediyldinaphthalene-3,1,2-triyl tetrakis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3c(Sc4cc5ccccc5c(OS(=O)(=O)c6cccc7C(=O)C(=[N+]=[N-])C=Cc67)c4OS(=O)(=O)c8cccc9C(=O)C(=[N+]=[N-])C=Cc89)cc%10ccccc%10c3OS(=O)(=O)c%11cccc%12C(=O)C(=[N+]=[N-])C=Cc%11%12)C1=O,[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3c(Sc4cc5ccccc5c(OS(=O)(=O)c6cccc7C(=O)C(=[N+]=[N-])C=Cc67)c4OS(=O)(=O)c8cccc9C(=O)C(=[N+]=[N-])C=Cc89)cc%10ccccc%10c3OS(=O)(=O)c%11cccc%12C(=O)C(=[N+]=[N-])C=Cc%11%12)C1=O,"InChI=1/C60H30N8O16S5/c61-65-43-25-21-35-39(53(43)69)13-5-17-49(35)86(73,74)81-57-33-11-3-1-9-31(33)29-47(59(57)83-88(77,78)51-19-7-15-41-37(51)23-27-45(67-63)55(41)71)85-48-30-32-10-2-4-12-34(32)58(82-87(75,76)50-18-6-14-40-36(50)22-26-44(66-62)54(40)70)60(48)84-89(79,80)52-20-8-16-42-38(52)24-28-46(68-64)56(42)72/h1-30H",C40H22N4O8S3,,,,,,XXWYRRDOSKYJJY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.773,274-574-8,70340-04-4,(2-hydroxybenzyl)triphenylphosphonium bromide,(2-hydroxybenzyl)(triphenyl)phosphonium bromide,[Br-].Oc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].Oc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C25H21OP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H",C25H22OP.Br,,,,,,FKKZGQXMWVGPMH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.410,274-174-3,69868-15-1,"Disodium 1-[2-(carboxylatomethoxy)ethyl]-1-(carboxylatomethyl)-4,5-dihydro-2-propyl-1H-imidazolium hydroxide","disodium 1-[2-(carboxylatomethoxy)ethyl]-1-(carboxylatomethyl)-4,5-dihydro-2-propyl-1H-imidazolium hydroxide",[OH-].[Na+].[Na+].CCCC1=NCC[N+]1(CCOCC(=O)[O-])CC(=O)[O-],[OH-].[Na+].[Na+].CCCC1=NCC[N+]1(CCOCC(=O)[O-])CC(=O)[O-],"InChI=1/C12H20N2O5.2Na.H2O/c1-2-3-10-13-4-5-14(10,8-11(15)16)6-7-19-9-12(17)18;;;/h2-9H2,1H3,(H-,15,16,17,18);;;1H2/q;2*+1;/p-2",C12H21N2O5.HO.2Na,,,,,,HKFYPGSRJDPVPO-UHFFFAOYSA-L,,,,,,,,,,,
100.067.411,274-175-9,69868-16-2,"N,N,N'-trioctyl-N'-[2-(octylamino)ethyl]ethylenediamine","N,N,N'-trioctyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine",CCCCCCCCNCCN(CCCCCCCC)CCN(CCCCCCCC)CCCCCCCC,CCCCCCCCNCCN(CCCCCCCC)CCN(CCCCCCCC)CCCCCCCC,"InChI=1/C36H77N3/c1-5-9-13-17-21-25-29-37-30-34-39(33-28-24-20-16-12-8-4)36-35-38(31-26-22-18-14-10-6-2)32-27-23-19-15-11-7-3/h37H,5-36H2,1-4H3",C36H77N3,,,,,,YXOUIZKURYAMLM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.415,274-180-6,69878-46-2,"5-decyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane","5-decyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane",CCCCCCCCCCC1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1,CCCCCCCCCCC1COCCN2CCOCCOCCN(CCOCCOCC2)CCO1,"InChI=1/C28H56N2O6/c1-2-3-4-5-6-7-8-9-10-28-27-35-21-15-29-11-17-31-23-25-33-19-13-30(16-22-36-28)14-20-34-26-24-32-18-12-29/h28H,2-27H2,1H3",C28H56N2O6,,,,,,XEMXZMVNMRQIED-UHFFFAOYSA-N,,,,,,,,,,,
100.067.424,274-190-0,69892-82-6,"Antimony, compound with europium (1:1)",-,[Sb].[Eu],[Sb].[Eu],InChI=1/Eu.Sb/q+2;+3,Eu.Sb,,,,,,VBCAXJVIDSCXFP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.427,274-193-7,69898-39-1,Calcium bis[4-[[3-[[2-hydroxy-3-[[(4-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]benzoyl]amino]benzenesulphonate],calcium bis(4-{[3-({2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)benzoyl]amino}benzenesulfonate),[Ca+2].[O-]S(=O)(=O)c1ccc(cc1)NC(=O)c2cc(ccc2)N=Nc4c5ccccc5cc(C(=O)Nc3ccc(OC)cc3)c4O.[O-]S(=O)(=O)c1ccc(cc1)NC(=O)c2cc(ccc2)N=Nc4c5ccccc5cc(C(=O)Nc3ccc(OC)cc3)c4O,[Ca+2].[O-]S(=O)(=O)c1ccc(cc1)NC(=O)c2cc(ccc2)N=Nc4c5ccccc5cc(C(=O)Nc3ccc(OC)cc3)c4O.[O-]S(=O)(=O)c1ccc(cc1)NC(=O)c2cc(ccc2)N=Nc4c5ccccc5cc(C(=O)Nc3ccc(OC)cc3)c4O,"InChI=1/2C31H24N4O7S.Ca/c2*1-42-24-13-9-21(10-14-24)33-31(38)27-18-19-5-2-3-8-26(19)28(29(27)36)35-34-23-7-4-6-20(17-23)30(37)32-22-11-15-25(16-12-22)43(39,40)41;/h2*2-18,36H,1H3,(H,32,37)(H,33,38)(H,39,40,41);/q;;+2/p-2",C31H24N4O7S.1/2Ca,,,,,,NGYVQEHNWBJLPD-UHFFFAOYSA-L,,,,,,,,,,,
100.067.428,274-194-2,69898-40-4,"7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methyl-1H-indol-3-yl)furo[3,4-b]pyridin-5(7H)-one","7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methyl-1H-indol-3-yl)furo[3,4-b]pyridin-5(7H)-one",CCOc1cc(ccc1C2(OC(=O)c3cccnc23)c4c(C)n(CC)c5ccccc45)N(CC)CC,CCOc1cc(ccc1C2(OC(=O)c3cccnc23)c4c(C)n(CC)c5ccccc45)N(CC)CC,"InChI=1/C30H33N3O3/c1-6-32(7-2)21-16-17-24(26(19-21)35-9-4)30(28-23(29(34)36-30)14-12-18-31-28)27-20(5)33(8-3)25-15-11-10-13-22(25)27/h10-19H,6-9H2,1-5H3",C30H33N3O3,,,,,,RCVMSMLWRJESQC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.435,274-202-4,69898-61-9,"1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylic acid","1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid",CCOc1cc(ccc1C2(OC(=O)c3cc(ccc23)C(=O)O)c4c(C)n(CC)c5ccccc45)N(CC)CC,CCOc1cc(ccc1C2(OC(=O)c3cc(ccc23)C(=O)O)c4c(C)n(CC)c5ccccc45)N(CC)CC,"InChI=1/C32H34N2O5/c1-6-33(7-2)22-15-17-26(28(19-22)38-9-4)32(25-16-14-21(30(35)36)18-24(25)31(37)39-32)29-20(5)34(8-3)27-13-11-10-12-23(27)29/h10-19H,6-9H2,1-5H3,(H,35,36)",C32H34N2O5,,,,,,ZVCONXWQMXMVHR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.438,274-206-6,69898-64-2,"Tetradecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylate","tetradecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate",CCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2(c3ccc(cc3OCC)N(CC)CC)c4c(C)n(CC)c5ccccc45,CCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2(c3ccc(cc3OCC)N(CC)CC)c4c(C)n(CC)c5ccccc45,"InChI=1/C46H62N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-24-31-52-44(49)35-27-29-39-38(32-35)45(50)53-46(39,43-34(6)48(10-4)41-26-23-22-25-37(41)43)40-30-28-36(47(8-2)9-3)33-42(40)51-11-5/h22-23,25-30,32-33H,7-21,24,31H2,1-6H3",C46H62N2O5,,,,,,QFEIWJQQKQZEFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.445,274-213-4,69912-91-0,1-methoxycyclohexadiene,"1-methoxycyclohexa-1,3-diene",COC1=CC=CCC1,COC1=CC=CCC1,"InChI=1/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",C7H10O,,,,,,LNRUJSUKKBJFOM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.182,276-123-0,71873-46-6,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,2,4-trimethylcyclohexyl)amino]anthracene-2-sulphonate","sodium 1-amino-9,10-dioxo-4-[(2,2,4-trimethylcyclohexyl)amino]-9,10-dihydroanthracene-2-sulfonate",[Na+].CC1CCC(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])C(C)(C)C1,[Na+].CC1CCC(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])C(C)(C)C1,"InChI=1/C23H26N2O5S.Na/c1-12-8-9-17(23(2,3)11-12)25-15-10-16(31(28,29)30)20(24)19-18(15)21(26)13-6-4-5-7-14(13)22(19)27;/h4-7,10,12,17,25H,8-9,11,24H2,1-3H3,(H,28,29,30);/q;+1/p-1",C23H26N2O5S.Na,,,,,,KSPFXLNLBJZQAH-UHFFFAOYSA-M,,,,,,,,,,,
100.076.529,284-212-0,84812-68-0,3-pentylcyclopentyl butyrate,3-pentylcyclopentyl butyrate,CCCCCC1CCC(C1)OC(=O)CCC,CCCCCC1CCC(C1)OC(=O)CCC,"InChI=1/C14H26O2/c1-3-5-6-8-12-9-10-13(11-12)16-14(15)7-4-2/h12-13H,3-11H2,1-2H3",C14H26O2,,,,,,MVXQRSHCSLQAQL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.530,284-213-6,84812-69-1,(E)-2-methoxy-4-(1-propenyl)phenyl 2-methylisocrotonate,2-methoxy-4-prop-1-en-1-ylphenyl 2-methylbut-2-enoate,COc1cc(\\C=C\\C)ccc1OC(=O)\\C(=C/C)\\C,COc1cc(\C=C\C)ccc1OC(=O)\C(=C/C)\C,"InChI=1/C15H18O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5-10H,1-4H3",C15H18O3,,,,,,ZTMOFQLUZSNPJG-WXLRGLDMSA-N,,,,,,,,,,,
100.073.506,280-879-7,83803-60-5,Trisodium 4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]sulphonatophenyl]-NNO-azoxy]salicylate,trisodium 4-({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl}-NNO-azoxy)-2-hydroxybenzoate,[Na+].[Na+].[Na+].O=C([O-])c1ccc(cc1O)[N+](/[O-])=N\\c3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3S([O-])(=O)=O,[Na+].[Na+].[Na+].O=C([O-])c1ccc(cc1O)[N+](/[O-])=N\c3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3S([O-])(=O)=O,"InChI=1/C20H14N4O10S.3Na/c25-16-6-2-10(7-14(16)20(29)30)21-22-11-1-5-15(18(8-11)35(32,33)34)23-24(31)12-3-4-13(19(27)28)17(26)9-12;;;/h1-9,25-26H,(H,27,28)(H,29,30)(H,32,33,34);;;/q;3*+1/p-3",C20H14N4O10S.3Na,,,,,,YJFYYTCCOODWGS-QFEAYXDISA-K,,,,,,,,,,,
100.073.516,280-890-7,83803-72-9,"(-)-5-(aminosulphonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dimethoxybenzamide","N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxy-5-sulfamoylbenzamide",CCN1CCCC1CNC(=O)c2cc(cc(OC)c2OC)S(=O)(=O)N,CCN1CCCC1CNC(=O)c2cc(cc(OC)c2OC)S(=O)(=O)N,"InChI=1/C16H25N3O5S/c1-4-19-7-5-6-11(19)10-18-16(20)13-8-12(25(17,21)22)9-14(23-2)15(13)24-3/h8-9,11H,4-7,10H2,1-3H3,(H,18,20)(H2,17,21,22)",C16H25N3O5S,,,,,,VTFRBNGFKHGVAV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.517,280-891-2,83803-73-0,5-[N-(2-hydroxyethyl)carbamoyl]-m-phenylene diacetate,"5-[(2-hydroxyethyl)carbamoyl]-1,3-phenylene diacetate",CC(=O)Oc1cc(OC(=O)C)cc(c1)C(=O)NCCO,CC(=O)Oc1cc(OC(=O)C)cc(c1)C(=O)NCCO,"InChI=1/C13H15NO6/c1-8(16)19-11-5-10(13(18)14-3-4-15)6-12(7-11)20-9(2)17/h5-7,15H,3-4H2,1-2H3,(H,14,18)",C13H15NO6,,,,,,GPOMCIDSRXOBMX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.519,280-893-3,83803-75-2,(1-chlorocyclohexyl) cyclohexyl ketone,(1-chlorocyclohexyl)(cyclohexyl)methanone,ClC1(CCCCC1)C(=O)C2CCCCC2,ClC1(CCCCC1)C(=O)C2CCCCC2,"InChI=1/C13H21ClO/c14-13(9-5-2-6-10-13)12(15)11-7-3-1-4-8-11/h11H,1-10H2",C13H21ClO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17659,https://echa.europa.eu/substance-information/-/substanceinfo/100.073.519,XUQRWKLGCUYTBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.523,280-898-0,83803-79-6,"[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.CC(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.CC(=O)[O-],"InChI=1/C33H31N3.C2H4O2/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;1-2(3)4/h5-23H,1-4H3;1H3,(H,3,4)",C33H32N3.C2H3O2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17713,https://echa.europa.eu/substance-information/-/substanceinfo/100.073.523,HEXKKVJQFCHILY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.537,280-914-6,83803-93-4,2'-(2-methylbenzoyl)-1-naphthohydrazide,N'-(2-methylbenzoyl)-1-naphthohydrazide,Cc1ccccc1C(=O)NNC(=O)c2cccc3ccccc23,Cc1ccccc1C(=O)NNC(=O)c2cccc3ccccc23,"InChI=1/C19H16N2O2/c1-13-7-2-4-10-15(13)18(22)20-21-19(23)17-12-6-9-14-8-3-5-11-16(14)17/h2-12H,1H3,(H,20,22)(H,21,23)",C19H16N2O2,,,,,,AHQMKZONOSYJCI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.306,279-561-0,80804-88-2,"6-chloro-N,N'-bis(3-methoxypropyl)-N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine","6-chloro-N,N'-bis(3-methoxypropyl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine",COCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(Cl)nc(n2)N(CCCOC)C3CC(C)(C)NC(C)(C)C3,COCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(Cl)nc(n2)N(CCCOC)C3CC(C)(C)NC(C)(C)C3,"InChI=1/C29H54ClN7O2/c1-26(2)17-21(18-27(3,4)34-26)36(13-11-15-38-9)24-31-23(30)32-25(33-24)37(14-12-16-39-10)22-19-28(5,6)35-29(7,8)20-22/h21-22,34-35H,11-20H2,1-10H3",C29H54ClN7O2,,,,,,YZIARINZNCQJKR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.323,279-579-9,80866-76-8,3-methyl-2-nitrobenzyl alcohol,(3-methyl-2-nitrophenyl)methanol,Cc1cccc(CO)c1[N+](=O)[O-],Cc1cccc(CO)c1[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-4,10H,5H2,1H3",C8H9NO3,,,,,,NELPTBUSFQMYOB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.333,279-590-9,80866-86-0,4-(2-carboxybenzoyl)benzenebutyric acid,2-[4-(3-carboxypropyl)benzoyl]benzoic acid,OC(=O)CCCc1ccc(cc1)C(=O)c2ccccc2C(=O)O,OC(=O)CCCc1ccc(cc1)C(=O)c2ccccc2C(=O)O,"InChI=1/C18H16O5/c19-16(20)7-3-4-12-8-10-13(11-9-12)17(21)14-5-1-2-6-15(14)18(22)23/h1-2,5-6,8-11H,3-4,7H2,(H,19,20)(H,22,23)",C18H16O5,,,,,,PBCSZTCIOAKNOF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.338,279-596-1,80866-93-9,"3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid","2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid",CC1(C)CC(=O)C=C(O1)C(=O)O,CC1(C)CC(=O)C=C(O1)C(=O)O,"InChI=1/C8H10O4/c1-8(2)4-5(9)3-6(12-8)7(10)11/h3H,4H2,1-2H3,(H,10,11)",C8H10O4,,,,,,ANKQOBXQEHGUJT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.340,279-598-2,80866-95-1,3-(1H-pyrrol-1-ylmethyl)pyridine,3-(1H-pyrrol-1-ylmethyl)pyridine,C(c1cccnc1)n2cccc2,C(c1cccnc1)n2cccc2,"InChI=1/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2",C10H10N2,,,,,,PJVWPGGKILHMKW-UHFFFAOYSA-N,,,,,,,,,,,
100.072.396,279-659-3,81012-99-9,a-hydrazino-m-cresol dihydrochloride,3-(hydrazinomethyl)phenol dihydrochloride,Cl.Cl.NNCc1cccc(O)c1,Cl.Cl.NNCc1cccc(O)c1,"InChI=1/C7H10N2O.2ClH/c8-9-5-6-2-1-3-7(10)4-6;;/h1-4,9-10H,5,8H2;2*1H",C7H10N2O.2ClH,,,,,,ONOJPUDFIOEGCX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.289,281-744-5,84029-74-3,"Tetradecyl (Z,Z,Z)-6-[[1,4-dioxo-4-(tetradecyloxy)but-2-enyl]oxy]-6-dodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate","tetradecyl 6-dodecyl-4,8,11-trioxo-6-{[4-oxo-4-(tetradecyloxy)but-2-enoyl]oxy}-5,7,12-trioxa-6-stannahexacosa-2,9-dien-1-oate",CCCCCCCCCCCCCCOC(=O)/C=C\\C(=O)O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/3C18H32O4.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-5-7-9-11-12-10-8-6-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-12H2,2H3;/q;;;;+3/p-3/rC66H118O12Sn/c1-5-9-13-17-21-25-29-32-35-39-43-47-57-73-61(67)51-54-64(70)76-79(60-50-46-42-38-28-24-20-16-12-8-4,77-65(71)55-52-62(68)74-58-48-44-40-36-33-30-26-22-18-14-10-6-2)78-66(72)56-53-63(69)75-59-49-45-41-37-34-31-27-23-19-15-11-7-3/h51-56H,5-50,57-60H2,1-4H3",C66H118O12Sn,,,,,,HULSPORJGSUDMC-POUCYOBESA-K,,,,,,,,,,,
100.074.295,281-750-8,84029-80-1,"Ethyl (Z,Z,Z)-9-butyl-9-[(4-ethoxy-1,4-dioxobut-2-enyl)oxy]-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate","ethyl 9-butyl-9-[(4-ethoxy-4-oxobut-2-enoyl)oxy]-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OCC)(OC(=O)C=CC(=O)OCC)CCCC)\\C=C/C(=O)OCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCC)(OC(=O)C=CC(=O)OCC)CCCC)\C=C/C(=O)OCC,"InChI=1/3C6H8O4.C4H9.Sn/c3*1-2-10-6(9)4-3-5(7)8;1-3-4-2;/h3*3-4H,2H2,1H3,(H,7,8);1,3-4H2,2H3;/q;;;;+3/p-3/rC22H30O12Sn/c1-5-9-16-35(32-20(26)13-10-17(23)29-6-2,33-21(27)14-11-18(24)30-7-3)34-22(28)15-12-19(25)31-8-4/h10-15H,5-9,16H2,1-4H3",C22H30O12Sn,,,,,,RVSLCHMIGMLDMI-VGKOASNMSA-K,,,,,,,,,,,
100.074.296,281-751-3,84029-81-2,"Butyl (Z,Z,Z)-6-[(4-butoxy-1,4-dioxobut-2-enyl)oxy]dodec-6-yl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate",6-{bis[(4-butoxy-4-oxobut-2-enoyl)oxy]stannyl}dodecyl butyl but-2-enedioate,O=C(O[Sn](OC(=O)\\C=C/C(=O)OCCCC)C(CCCCCOC(=O)C=CC(=O)OCCCC)CCCCCC)\\C=C/C(=O)OCCCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCCCC)C(CCCCCOC(=O)C=CC(=O)OCCCC)CCCCCC)\C=C/C(=O)OCCCC,"InChI=1/C20H35O4.2C8H12O4.Sn/c1-3-5-7-8-9-10-11-12-13-14-18-24-20(22)16-15-19(21)23-17-6-4-2;2*1-2-3-6-12-8(11)5-4-7(9)10;/h10,15-16H,3-9,11-14,17-18H2,1-2H3;2*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;+3/p-2/rC36H57O12Sn/c1-5-9-13-15-18-30(19-16-14-17-29-46-32(38)21-20-31(37)43-26-10-6-2)49(47-35(41)24-22-33(39)44-27-11-7-3)48-36(42)25-23-34(40)45-28-12-8-4/h20-25,30H,5-19,26-29H2,1-4H3/q+1",C36H58O12Sn,,,,,,IUZYRKDFCMHTTL-OZITUSCZSA-L,,,,,,,,,,,
100.074.301,281-757-6,84029-86-7,5-isopropyl-4-methylphthalic anhydride,"5-isopropyl-6-methyl-2-benzofuran-1,3-dione",CC(C)c1cc2C(=O)OC(=O)c2cc1C,CC(C)c1cc2C(=O)OC(=O)c2cc1C,"InChI=1/C12H12O3/c1-6(2)8-5-10-9(4-7(8)3)11(13)15-12(10)14/h4-6H,1-3H3",C12H12O3,,,,,,HARMCMJYOSSBBK-UHFFFAOYSA-N,,,,,,,,,,,
100.074.303,281-759-7,84029-88-9,"6-(isopropyl)-2,3,5-trimethylcyclohexane-1,4-diamine","2-isopropyl-3,5,6-trimethylcyclohexane-1,4-diamine",CC(C)C1C(C)C(N)C(C)C(C)C1N,CC(C)C1C(C)C(N)C(C)C(C)C1N,"InChI=1/C12H26N2/c1-6(2)10-9(5)11(13)7(3)8(4)12(10)14/h6-12H,13-14H2,1-5H3",C12H26N2,,,,,,HBMMSKPAUGPKSV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.304,281-760-2,84029-89-0,(2-chloro-6-nitrophenyl)methyl acrylate,2-chloro-6-nitrobenzyl acrylate,[O-][N+](=O)c1cccc(Cl)c1COC(=O)C=C,[O-][N+](=O)c1cccc(Cl)c1COC(=O)C=C,"InChI=1/C10H8ClNO4/c1-2-10(13)16-6-7-8(11)4-3-5-9(7)12(14)15/h2-5H,1,6H2",C10H8ClNO4,,,,,,XXUNKTOVRVXXGY-UHFFFAOYSA-N,,,,,,,,,,,
100.074.307,281-763-9,84029-92-5,2-(1-ethoxyethoxy)-5-(1-propenyl)anisole,1-(1-ethoxyethoxy)-2-methoxy-4-prop-1-en-1-ylbenzene,COc1cc(ccc1OC(C)OCC)C=CC,COc1cc(ccc1OC(C)OCC)C=CC,"InChI=1/C14H20O3/c1-5-7-12-8-9-13(14(10-12)15-4)17-11(3)16-6-2/h5,7-11H,6H2,1-4H3",C14H20O3,,,,,,JLSRPGJKIAJORX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.309,281-766-5,84029-94-7,6-aminoundecanoic acid,6-aminoundecanoic acid,CCCCCC(N)CCCCC(=O)O,CCCCCC(N)CCCCC(=O)O,"InChI=1/C11H23NO2/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)",C11H23NO2,,,,,,JTCAFTOXSIHBFL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.326,281-784-3,84030-14-8,4-chloro-3-oxo-N-(o-tolyl)butyramide,4-chloro-N-(2-methylphenyl)-3-oxobutanamide,Cc1ccccc1NC(=O)CC(=O)CCl,Cc1ccccc1NC(=O)CC(=O)CCl,"InChI=1/C11H12ClNO2/c1-8-4-2-3-5-10(8)13-11(15)6-9(14)7-12/h2-5H,6-7H2,1H3,(H,13,15)",C11H12ClNO2,,,,,,ONEXMWICVGEHEE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.514,268-785-4,68140-24-9,"Diethyl sulphate, compound with [[2-(heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]amine (1:1)","diethyl sulfate - 1-(2-heptadec-1-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanamine (1:1)",NC(C)N1CC\\N=C1\\C=CCCCCCCCCCCCCCCC.O=S(=O)(OCC)OCC,NC(C)N1CC\N=C1\C=CCCCCCCCCCCCCCCC.O=S(=O)(OCC)OCC,"InChI=1/C22H43N3.C4H10O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-20-25(22)21(2)23;1-3-7-9(5,6)8-4-2/h17-18,21H,3-16,19-20,23H2,1-2H3;3-4H2,1-2H3",C22H43N3.C4H10O4S,,,,,,JELGZKYKLUZXRG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.776,274-577-4,70353-84-3,"2-[2-[(4-ethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-{2-[(4-ethoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium hydrogen sulfate",CCOc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],CCOc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C21H24N2O.H2O4S/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-5(2,3)4/h6-15H,5H2,1-4H3;(H2,1,2,3,4)/p-1",C21H25N2O.HO4S,,,,,,RBFKGNGDEXCCMP-UHFFFAOYSA-M,,,,,,,,,,,
100.067.779,274-581-6,70356-09-1,"1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione","1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione",COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C,COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C,"InChI=1/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3",C20H22O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14835,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.779,XNEFYCZVKIDDMS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.784,274-586-3,70375-22-3,Benzyl (S)-[4-(amidinoamino)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]butyl]carbamate monohydrochloride,benzyl {4-carbamimidamido-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl}carbamate hydrochloride,Cl.CC1=CC(=O)Oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12,Cl.CC1=CC(=O)Oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12,"InChI=1/C24H27N5O5.ClH/c1-15-12-21(30)34-20-13-17(9-10-18(15)20)28-22(31)19(8-5-11-27-23(25)26)29-24(32)33-14-16-6-3-2-4-7-16;/h2-4,6-7,9-10,12-13,19H,5,8,11,14H2,1H3,(H,28,31)(H,29,32)(H4,25,26,27);1H",C24H27N5O5.ClH,,,,,,JYWCRDUTYUBXOL-FYZYNONXSA-N,,,,,,,,,,,
100.067.789,274-592-6,70394-23-9,3-(dimethylamino)hexahydro-2H-azepin-2-one,3-(dimethylamino)azepan-2-one,CN(C)C1CCCCNC1=O,CN(C)C1CCCCNC1=O,"InChI=1/C8H16N2O/c1-10(2)7-5-3-4-6-9-8(7)11/h7H,3-6H2,1-2H3,(H,9,11)",C8H16N2O,,,,,,CFZGIDYCUWFUJR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.791,274-594-7,70401-29-5,2-methylacridine-9-carbaldehyde,2-methylacridine-9-carbaldehyde,Cc1ccc2nc3ccccc3c(C=O)c2c1,Cc1ccc2nc3ccccc3c(C=O)c2c1,"InChI=1/C15H11NO/c1-10-6-7-15-12(8-10)13(9-17)11-4-2-3-5-14(11)16-15/h2-9H,1H3",C15H11NO,,,,,,PIBZGMVFXCKDER-UHFFFAOYSA-N,,,,,,,,,,,
100.067.802,274-606-0,70429-09-3,"Bismuth, compound with europium (1:1)",-,[Eu].[Bi],[Eu].[Bi],InChI=1/Bi.Eu/q+3;+2,Bi.Eu,,,,,,GQPRQGMUEBYGKM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.942,276-960-1,72884-85-6,"2'-(tert-butyl)-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-tert-butyl-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)C(C)(C)C)c1,CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)C(C)(C)C)c1,"InChI=1/C28H29NO3/c1-6-29(7-2)19-13-14-22-25(17-19)31-24-15-12-18(27(3,4)5)16-23(24)28(22)21-11-9-8-10-20(21)26(30)32-28/h8-17H,6-7H2,1-5H3",C28H29NO3,,,,,,IZWGKTMUBBOVFP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.946,276-964-3,72894-13-4,"1,1-dimethoxy-3,5,5-trimethylhexane","1,1-dimethoxy-3,5,5-trimethylhexane",COC(CC(C)CC(C)(C)C)OC,COC(CC(C)CC(C)(C)C)OC,"InChI=1/C11H24O2/c1-9(8-11(2,3)4)7-10(12-5)13-6/h9-10H,7-8H2,1-6H3",C11H24O2,,,,,,OKMANJUJOSTZGX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.947,276-965-9,72894-14-5,2-ethylideneundec-10-en-1-al,2-ethylideneundec-10-enal,CC=C(CCCCCCCC=C)C=O,CC=C(CCCCCCCC=C)C=O,"InChI=1/C13H22O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h3-4,12H,1,5-11H2,2H3",C13H22O,,,,,,BGAYGLVXLJBTTR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.958,276-977-4,72903-10-7,"1,5-dimethylbicyclo[3.2.1]oct-8-yl isobutyrate","1,5-dimethylbicyclo[3.2.1]oct-8-yl 2-methylpropanoate",CC(C)C(=O)OC1C2(C)CCCC1(C)CC2,CC(C)C(=O)OC1C2(C)CCCC1(C)CC2,"InChI=1/C14H24O2/c1-10(2)11(15)16-12-13(3)6-5-7-14(12,4)9-8-13/h10,12H,5-9H2,1-4H3",C14H24O2,,,,,,KHQBRKIBDIDREL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.807,274-611-8,70458-92-3,Pefloxacine,"1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,"InChI=1/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)",C17H20FN3O3,,,,,,FHFYDNQZQSQIAI-UHFFFAOYSA-N,Positive,mzcloud:1669,[M+H]+,HCD_Averaged,316.1456:290.16628:233.1085:219.0928:205.0772:58.06513:70.0651:203.0615,HighChem,,,,,
100.067.808,274-612-3,70458-93-4,Ethyl 7-chloro-6-fluoro-4-hydroxyquinoline-3-carboxylate,ethyl 7-chloro-6-fluoro-4-hydroxyquinoline-3-carboxylate,CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1O,CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1O,"InChI=1/C12H9ClFNO3/c1-2-18-12(17)7-5-15-10-4-8(13)9(14)3-6(10)11(7)16/h3-5H,2H2,1H3,(H,15,16)",C12H9ClFNO3,,,,,,VLOYRWBXBBOLJW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.815,274-620-7,70485-37-9,"Bis[4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl] carbonate","bis(4-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl) carbonate",CCCCC1=C(OC(=O)OC2=C(CCCC)C(=O)N(N2c3ccccc3)c4ccccc4)N(N(C1=O)c5ccccc5)c6ccccc6,CCCCC1=C(OC(=O)OC2=C(CCCC)C(=O)N(N2c3ccccc3)c4ccccc4)N(N(C1=O)c5ccccc5)c6ccccc6,"InChI=1/C39H38N4O5/c1-3-5-27-33-35(44)40(29-19-11-7-12-20-29)42(31-23-15-9-16-24-31)37(33)47-39(46)48-38-34(28-6-4-2)36(45)41(30-21-13-8-14-22-30)43(38)32-25-17-10-18-26-32/h7-26H,3-6,27-28H2,1-2H3",C39H38N4O5,,,,,,NXWULBYJCQNQMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.822,274-628-0,70496-34-3,Trimethyl[2-(propionylthio)ethyl]ammonium chloride,"N,N,N-trimethyl-2-(propionylsulfanyl)ethanaminium chloride",[Cl-].CCC(=O)SCC[N+](C)(C)C,[Cl-].CCC(=O)SCC[N+](C)(C)C,"InChI=1/C8H18NOS.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1",C8H18NOS.Cl,,,,,,DFQTUNIXEAAEKC-UHFFFAOYSA-M,,,,,,,,,,,
100.069.183,276-124-6,71873-47-7,"Tetrasodium 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulphonato-1-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]-p-anisate","tetrasodium 3-({1-hydroxy-6-[({4-[(8-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-3-sulfonato-2-naphthyl}diazenyl)-4-methoxybenzoate",[Na+].[Na+].[Na+].[Na+].COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc3cc(C)c(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)ccc4c5O)S([O-])(=O)=O)C([O-])=O,[Na+].[Na+].[Na+].[Na+].COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc3cc(C)c(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)ccc4c5O)S([O-])(=O)=O)C([O-])=O,"InChI=1/C37H30N6O16S3.4Na/c1-17-8-26(31(59-3)16-25(17)40-42-28-14-22(60(49,50)51)10-20-11-23(61(52,53)54)15-29(44)33(20)28)39-37(48)38-21-5-6-24-19(9-21)13-32(62(55,56)57)34(35(24)45)43-41-27-12-18(36(46)47)4-7-30(27)58-2;;;;/h4-16,44-45H,1-3H3,(H,46,47)(H2,38,39,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4",C37H30N6O16S3.4Na,,,,,,AGVQRJZBHGGNJE-UHFFFAOYSA-J,,,,,,,,,,,
100.069.203,276-146-6,71888-57-8,Pyrrolidine-1-valeronitrile,5-pyrrolidin-1-ylpentanenitrile,N#CCCCCN1CCCC1,N#CCCCCN1CCCC1,"InChI=1/C9H16N2/c10-6-2-1-3-7-11-8-4-5-9-11/h1-5,7-9H2",C9H16N2,,,,,,VZTHTEUIDBTOLX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.206,276-149-2,71888-60-3,Disodium tetrafluorozincate(2-),disodium tetrafluorozincate(2-),[Na+].[Na+].F[Zn-2](F)(F)F,[Na+].[Na+].F[Zn-2](F)(F)F,"InChI=1/4FH.2Na.Zn/h4*1H;;;/q;;;;2*+1;+2/p-4/rF4Zn.2Na/c1-5(2,3)4;;/q-2;2*+1",F4Zn.2Na,,,,,,ROOFEGAXAHWEDE-UHFFFAOYSA-J,,,,,,,,,,,
100.069.209,276-152-9,71888-65-8,"Magnesium bis[(3a,5ß,12a)-3,12-dihydroxycholan-24-oate]","magnesium bis(3,12-dihydroxycholan-24-oate)",[Mg+2].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.C[C@H](CCC(=O)[O-])[C@H]5CC[C@H]6[C@@H]7CC[C@@H]8C[C@H](O)CC[C@]8(C)[C@H]7C[C@H](O)[C@]56C,[Mg+2].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.C[C@H](CCC(=O)[O-])[C@H]5CC[C@H]6[C@@H]7CC[C@@H]8C[C@H](O)CC[C@]8(C)[C@H]7C[C@H](O)[C@]56C,"InChI=1/2C24H40O4.Mg/c2*1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h2*14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;;+2/p-2",C24H40O4.1/2Mg,,,,,,KVPZPSPOBQUDPV-WWXYFFPRSA-L,,,,,,,,,,,
100.069.211,276-155-5,71888-67-0,Dipotassium a-D-mannopyranose 1-phosphate,dipotassium 1-O-phosphonato-alpha-D-mannopyranose,[K+].[K+].OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O,[K+].[K+].OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2",C6H13O9P.2K,,,,,,KCIDZIIHRGYJAE-ATVZWOOISA-L,,,,,,,,,,,
100.064.532,271-007-6,68513-62-2,"Disulfides, C5-12-alkyl","1,1'-disulfanediyldipentane",CCCCCSSCCCCC,CCCCCSSCCCCC,"InChI=1/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3",-,,,,,,YSQZSPCQDXHJDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.534,271-009-7,68513-65-5,"Butane, branched and linear",isobutane,CC(C)C,CC(C)C,"InChI=1/C4H10/c1-4(2)3/h4H,1-3H3",-,,,,,,NNPPMTNAJDCUHE-UHFFFAOYSA-N,,,,,,,,,,,
100.066.326,272-981-5,68922-09-8,"2-methoxy-4-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol","2-methoxy-4-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol",COC1CC(CCC1O)C2CC3CCC2(C)C3(C)C,COC1CC(CCC1O)C2CC3CCC2(C)C3(C)C,"InChI=1/C17H30O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-14(18)15(9-11)19-4/h11-15,18H,5-10H2,1-4H3",C17H30O2,,,,,,QYJBELHRBOPNBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.327,272-982-0,68922-10-1,"3,7-dimethyloct-6-enyl isovalerate","3,7-dimethyloct-6-en-1-yl 3-methylbutanoate",CC(C)CC(=O)OCCC(C)CCC=C(C)C,CC(C)CC(=O)OCCC(C)CCC=C(C)C,"InChI=1/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3",C15H28O2,,,,,,WZTNQQJXPYEGAF-UHFFFAOYSA-N,,,,,,,,,,,
100.066.365,273-023-9,68928-55-2,Disodium 4-[2-[(1-oxododecyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-17(21)14-15(18(22)23)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,22,23)(H,24,25,26);;/q;2*+1/p-2",C18H33NO8S.2Na,,,,,,SBSQNUOQFFPIRK-UHFFFAOYSA-L,,,,,,,,,,,
100.067.451,274-220-2,69929-13-1,"Trisodium 3-[4-[[5-[[4-fluoro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-1,5-disulphonate","trisodium 3-(4-{[5-({4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Cc6ccccc6Nc1nc(F)nc(n1)Nc5cc(N=NC4C(\\C)=N/N(c2cc(c3cccc(c3c2)S([O-])(=O)=O)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].Cc6ccccc6Nc1nc(F)nc(n1)Nc5cc(N=NC4C(\C)=N/N(c2cc(c3cccc(c3c2)S([O-])(=O)=O)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,"InChI=1/C30H24FN9O10S3.3Na/c1-15-6-3-4-8-21(15)33-30-35-28(31)34-29(36-30)32-17-10-11-24(52(45,46)47)22(12-17)37-38-26-16(2)39-40(27(26)41)18-13-20-19(25(14-18)53(48,49)50)7-5-9-23(20)51(42,43)44;;;/h3-14,26H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;/q;3*+1/p-3",C30H24FN9O10S3.3Na,,,,,,ZRTOSNXWFXLLCA-UHFFFAOYSA-K,,,,,,,,,,,
100.067.453,274-222-3,69929-16-4,"8-ethoxy-2,6-dimethyloct-2-ene","3,7-dimethyloct-6-en-1-yl ethyl ether",CCOCCC(C)CCC=C(C)C,CCOCCC(C)CCC=C(C)C,"InChI=1/C12H24O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3",C12H24O,,,,,,AUAWLMMUJFEVCX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.455,274-224-4,69929-18-6,Butyloctylmagnesium,butyl(octyl)magnesium,CCCCCCCC[Mg]CCCC,CCCCCCCC[Mg]CCCC,"InChI=1/C8H17.C4H9.Mg/c1-3-5-7-8-6-4-2;1-3-4-2;/h1,3-8H2,2H3;1,3-4H2,2H3;/rC12H26Mg/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3-12H2,1-2H3",C12H26Mg,,,,,,RGPSRYWDFHAWOT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.343,279-601-7,80867-05-6,"5,6-dimethoxy-2-[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]indan-1-one","5,6-dimethoxy-2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene)indan-1-one",COc1cc2C(=O)C(Cc2cc1OC)=Cc3cc4CCCN5CCCc(c3)c45,COc1cc2C(=O)C(Cc2cc1OC)=Cc3cc4CCCN5CCCc(c3)c45,"InChI=1/C24H25NO3/c1-27-21-13-18-12-19(24(26)20(18)14-22(21)28-2)11-15-9-16-5-3-7-25-8-4-6-17(10-15)23(16)25/h9-11,13-14H,3-8,12H2,1-2H3",C24H25NO3,,,,,,GSOCDMAUTVCVSM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.407,282-973-3,84501-54-2,Lithium 4-[(octadecylamino)carbonyl]benzoate,lithium 4-(octadecylcarbamoyl)benzoate,[Li+].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-],[Li+].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-],"InChI=1/C26H43NO3.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1",C26H43NO3.Li,,,,,,CFEXAQPFPQOCPS-UHFFFAOYSA-M,,,,,,,,,,,
100.075.413,282-980-1,84501-60-0,"Azelaic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine","nonanedioic acid - N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine (1:1)",NCCNCCNCCNCCN.OC(=O)CCCCCCCC(=O)O,NCCNCCNCCNCCN.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C8H23N5/c10-8(11)6-4-2-1-3-5-7-9(12)13;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-7H2,(H,10,11)(H,12,13);11-13H,1-10H2",C9H16O4.xC8H23N5,,,,,,OUSAGWLDHCPJIN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.417,282-984-3,84501-64-4,Piperazine-2-carboxamide,piperazine-2-carboxamide,NC(=O)C1CNCCN1,NC(=O)C1CNCCN1,"InChI=1/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)",C5H11N3O,,,,,,BRYCUMKDWMEGMK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.420,282-988-5,84501-68-8,Ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]piperidine-1-carboxylate,ethyl 4-{[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl]amino}piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3n2Cc4ccc(F)cc4,CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3n2Cc4ccc(F)cc4,"InChI=1/C22H25FN4O2/c1-2-29-22(28)26-13-11-18(12-14-26)24-21-25-19-5-3-4-6-20(19)27(21)15-16-7-9-17(23)10-8-16/h3-10,18H,2,11-15H2,1H3,(H,24,25)",C22H25FN4O2,,,,,,MMPSFTZVUMTCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.425,282-993-2,84518-22-9,"a,2,6,6-tetramethylcyclohexene-1-butyraldehyde","2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)butanal",CC(CCC1=C(C)CCCC1(C)C)C=O,CC(CCC1=C(C)CCCC1(C)C)C=O,"InChI=1/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-11H,5-9H2,1-4H3",C14H24O,,,,,,MXNVWZZDDFIWHW-UHFFFAOYSA-N,,,,,,,,,,,
100.075.427,282-995-3,84521-99-3,"Disodium 2-[[4-[[2,4-diamino-5-[(2-hydroxy-5-sulphonatophenyl)azo]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate","disodium 2-{[4-({2,4-diamino-5-[(2-hydroxy-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]amino}-5-nitrobenzenesulfonate",[Na+].[Na+].Oc4ccc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S([O-])(=O)=O,[Na+].[Na+].Oc4ccc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S([O-])(=O)=O,"InChI=1/C24H20N8O9S2.2Na/c25-17-11-18(26)21(30-31-22-10-16(42(36,37)38)6-8-23(22)33)12-20(17)29-28-14-3-1-13(2-4-14)27-19-7-5-15(32(34)35)9-24(19)43(39,40)41;;/h1-12,27,33H,25-26H2,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C24H20N8O9S2.2Na,,,,,,LNNGNPIFKFFHFO-UHFFFAOYSA-L,,,,,,,,,,,
100.075.429,282-997-4,84522-01-0,"Disodium 4-amino-3,6-bis[[4-[[4-(diethylamino)-2-hydroxyphenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-amino-3,6-bis[(4-{[4-(diethylamino)-2-hydroxyphenyl]diazenyl}phenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc6cc(ccc6N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(N=Nc1ccc(cc1O)N(CC)CC)cc2)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)N(CC)CC,[Na+].[Na+].Oc6cc(ccc6N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(N=Nc1ccc(cc1O)N(CC)CC)cc2)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)N(CC)CC,"InChI=1/C42H43N11O9S2.2Na/c1-5-52(6-2)30-17-19-32(34(54)23-30)48-44-26-9-13-28(14-10-26)46-50-40-36(63(57,58)59)21-25-22-37(64(60,61)62)41(42(56)38(25)39(40)43)51-47-29-15-11-27(12-16-29)45-49-33-20-18-31(24-35(33)55)53(7-3)8-4;;/h9-24,54-56H,5-8,43H2,1-4H3,(H,57,58,59)(H,60,61,62);;/q;2*+1/p-2",C42H43N11O9S2.2Na,,,,,,HBIFDTIIRJWYIQ-UHFFFAOYSA-L,,,,,,,,,,,
100.076.535,284-218-3,84812-84-0,Benzhydryl 2-(benzothiazol-2-yldithio)-a-[1-[(methylsulphonyl)oxy]ethylidene]-4-oxo-3-[(phenoxyacetyl)amino]azetidine-1-acetate,"diphenylmethyl 2-{2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(phenoxyacetyl)amino]azetidin-1-yl}-3-[(methylsulfonyl)oxy]but-2-enoate",CS(=O)(=O)OC(C)=C(C(=O)OC(c1ccccc1)c2ccccc2)N6C(=O)C(NC(=O)COc3ccccc3)C6SSc4nc5ccccc5s4,CS(=O)(=O)OC(C)=C(C(=O)OC(c1ccccc1)c2ccccc2)N6C(=O)C(NC(=O)COc3ccccc3)C6SSc4nc5ccccc5s4,"InChI=1/C36H31N3O8S4/c1-23(47-51(2,43)44)31(35(42)46-32(24-14-6-3-7-15-24)25-16-8-4-9-17-25)39-33(41)30(38-29(40)22-45-26-18-10-5-11-19-26)34(39)49-50-36-37-27-20-12-13-21-28(27)48-36/h3-21,30,32,34H,22H2,1-2H3,(H,38,40)",C36H31N3O8S4,,,,,,BTUHPFOSUILSJO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.537,284-220-4,84817-64-1,"Endo-3,3-dimethylbicyclo[2.2.1]heptane-2-propionic acid","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propanoic acid",CC1(C)C2CCC(C2)C1CCC(=O)O,CC1(C)C2CCC(C2)C1CCC(=O)O,"InChI=1/C12H20O2/c1-12(2)9-4-3-8(7-9)10(12)5-6-11(13)14/h8-10H,3-7H2,1-2H3,(H,13,14)",C12H20O2,,,,,,PECZKENMPPVTAH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.515,268-787-5,68140-26-1,"1,4-dihydro-1-phenyl-4-(trimethylsilyl)-5H-tetrazol-5-one","1-phenyl-4-(trimethylsilyl)-1,4-dihydro-5H-tetrazol-5-one",C[Si](C)(C)N1N=NN(C1=O)c2ccccc2,C[Si](C)(C)N1N=NN(C1=O)c2ccccc2,"InChI=1/C10H14N4OSi/c1-16(2,3)14-10(15)13(11-12-14)9-7-5-4-6-8-9/h4-8H,1-3H3",C10H14N4OSi,,,,,,JFKKCQBOYLNEDE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.522,268-794-3,68140-42-1,"7,10-bis(hydroxymethyl)-3,3-dimethoxy-2-oxa-7,10-diaza-3-silaundecan-11-ol","7,10-bis(hydroxymethyl)-3,3-dimethoxy-2-oxa-7,10-diaza-3-silaundecan-11-ol",CO[Si](CCCN(CO)CCN(CO)CO)(OC)OC,CO[Si](CCCN(CO)CCN(CO)CO)(OC)OC,"InChI=1/C11H28N2O6Si/c1-17-20(18-2,19-3)8-4-5-12(9-14)6-7-13(10-15)11-16/h14-16H,4-11H2,1-3H3",C11H28N2O6Si,,,,,,AWVHRDYKXCUVBI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.523,268-795-9,68140-43-2,2-(3-hydroxyphenoxy)ethyl acetate,2-(3-hydroxyphenoxy)ethyl acetate,CC(=O)OCCOc1cccc(O)c1,CC(=O)OCCOc1cccc(O)c1,"InChI=1/C10H12O4/c1-8(11)13-5-6-14-10-4-2-3-9(12)7-10/h2-4,7,12H,5-6H2,1H3",C10H12O4,,,,,,ZYRWJVKYFMVBHB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.525,268-798-5,68140-46-5,4-tridecyl hydrogen 2-dodec-1-enylsuccinate,2-[2-oxo-2-(tridecyloxy)ethyl]tetradec-3-enoic acid,CCCCCCCCCCCCCOC(=O)CC(C=CCCCCCCCCCC)C(O)=O,CCCCCCCCCCCCCOC(=O)CC(C=CCCCCCCCCCC)C(O)=O,"InChI=1/C29H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-28(30)26-27(29(31)32)24-22-20-18-16-14-12-10-8-6-4-2/h22,24,27H,3-21,23,25-26H2,1-2H3,(H,31,32)",C29H54O4,,,,,,GLFSIVIXYLULGR-UHFFFAOYSA-N,,,,,,,,,,,
100.062.526,268-799-0,68140-48-7,"1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]ethan-1-one","1-(3-isopropyl-1,1,2,6-tetramethyl-2,3-dihydro-1H-inden-5-yl)ethanone",CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(=O)C,CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(=O)C,"InChI=1/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3",C18H26O,,,,,,IMRYETFJNLKUHK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.527,268-800-4,68140-49-8,"2,3-dimethyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenal","2,3-dimethyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enal",C\\C1=C\\CCC(C)(C)C1CC(C)=C(C)C=O,C\C1=C\CCC(C)(C)C1CC(C)=C(C)C=O,"InChI=1/C15H24O/c1-11-7-6-8-15(4,5)14(11)9-12(2)13(3)10-16/h7,10,14H,6,8-9H2,1-5H3",C15H24O,,,,,,XMCLBTZLLJMMOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.528,268-802-5,68140-50-1,Ethyl 2-methyl-4-oxo-4H-pyran-3-yl carbonate,ethyl 2-methyl-4-oxo-4H-pyran-3-yl carbonate,CCOC(=O)OC1=C(C)OC=CC1=O,CCOC(=O)OC1=C(C)OC=CC1=O,"InChI=1/C9H10O5/c1-3-12-9(11)14-8-6(2)13-5-4-7(8)10/h4-5H,3H2,1-2H3",C9H10O5,,,,,,DQZXNGSIZXPSOD-UHFFFAOYSA-N,,,,,,,,,,,
100.062.535,268-809-3,68140-58-9,"1-allyl-2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde","1-allyl-2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde",CC1CC(=CC(C)C1(CC=C)C=O)C,CC1CC(=CC(C)C1(CC=C)C=O)C,"InChI=1/C13H20O/c1-5-6-13(9-14)11(3)7-10(2)8-12(13)4/h5,7,9,11-12H,1,6,8H2,2-4H3",C13H20O,,,,,,FFDWBRRFSSVESS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.536,268-810-9,68140-59-0,1-methyl-2-(1-methylvinyl)cyclohex-3-ene-1-carbaldehyde,2-isopropenyl-1-methylcyclohex-3-ene-1-carbaldehyde,CC(=C)C1C=CCCC1(C)C=O,CC(=C)C1C=CCCC1(C)C=O,"InChI=1/C11H16O/c1-9(2)10-6-4-5-7-11(10,3)8-12/h4,6,8,10H,1,5,7H2,2-3H3",C11H16O,,,,,,YBBDTMDDFBAHSO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.537,268-811-4,68140-60-3,"2-butyl-2-ethyl-5,7-dimethyl-3,4-octadienal","2-butyl-2-ethyl-5,7-dimethylocta-3,4-dienal",CCCCC(CC)(C=O)C=C=C(C)CC(C)C,CCCCC(CC)(C=O)C=C=C(C)CC(C)C,"InChI=1/C16H28O/c1-6-8-10-16(7-2,13-17)11-9-15(5)12-14(3)4/h11,13-14H,6-8,10,12H2,1-5H3",C16H28O,,,,,,ITZDNKGGBCYBBR-UHFFFAOYSA-N,,,,,,,,,,,
100.062.539,268-814-0,68140-75-0,"1,1'-(methylimino)bis[3-chloropropan-2-ol]","1,1'-(methylimino)bis(3-chloropropan-2-ol)",CN(CC(O)CCl)CC(O)CCl,CN(CC(O)CCl)CC(O)CCl,"InChI=1/C7H15Cl2NO2/c1-10(4-6(11)2-8)5-7(12)3-9/h6-7,11-12H,2-5H2,1H3",C7H15Cl2NO2,,,,,,QRSIATZYIUKISS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.541,268-816-1,68140-80-7,(2-hydroxyethyl)(stearoyl)[2-[(stearoyl)ammonio]ethyl]ammonium hydrogen phosphate,"N-(2-hydroxyethyl)-N,N'-distearoylethane-1,2-diaminium hydrogen phosphate",CCCCCCCCCCCCCCCCCC(=O)[NH2+]CC[NH+](CCO)C(=O)CCCCCCCCCCCCCCCCC.[O-]P(=O)([O-])[O-],CCCCCCCCCCCCCCCCCC(=O)[NH2+]CC[NH+](CCO)C(=O)CCCCCCCCCCCCCCCCC.[O-]P(=O)([O-])[O-],"InChI=1/C40H80N2O3.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)41-35-36-42(37-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5(2,3)4/h43H,3-38H2,1-2H3,(H,41,44);(H3,1,2,3,4)/p-1",C40H80N2O3.H3O4P,,,,,,OUJNYAVDKPVBFV-UHFFFAOYSA-M,,,,,,,,,,,
100.068.320,275-175-1,71077-32-2,"3,7,7-trimethyloxepane-2-methanol","(3,7,7-trimethyloxepan-2-yl)methanol",CC1CCCC(C)(C)OC1CO,CC1CCCC(C)(C)OC1CO,"InChI=1/C10H20O2/c1-8-5-4-6-10(2,3)12-9(8)7-11/h8-9,11H,4-7H2,1-3H3",C10H20O2,,,,,,NRHSOPLJFZHMIN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.325,275-180-9,71077-38-8,N-[3-(ethylamino)-4-(2-methoxyethoxy)phenyl]acetamide,N-[3-(ethylamino)-4-(2-methoxyethoxy)phenyl]acetamide,CCNc1cc(NC(=O)C)ccc1OCCOC,CCNc1cc(NC(=O)C)ccc1OCCOC,"InChI=1/C13H20N2O3/c1-4-14-12-9-11(15-10(2)16)5-6-13(12)18-8-7-17-3/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)",C13H20N2O3,,,,,,YCBDVCSNGODBQA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.326,275-181-4,71078-31-4,"2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene","2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene",CC1OC2(C=C1)C(C)C(C)CC=C2C,CC1OC2(C=C1)C(C)C(C)CC=C2C,"InChI=1/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3",C13H20O,,,,,,WYTVJTNOJJKEEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.981,277-003-0,72906-45-7,"Trisodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4'-[(2,4-diaminophenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4O)S([O-])(=O)=O)c(C)c5)c(N)c6,[Na+].[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4O)S([O-])(=O)=O)c(C)c5)c(N)c6,"InChI=1/C36H31N9O10S3.3Na/c1-18-13-20(3-10-27(18)41-43-29-12-5-23(37)17-26(29)38)21-4-11-28(19(2)14-21)42-44-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)39)45-40-24-6-8-25(9-7-24)56(47,48)49;;;/h3-17,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C36H31N9O10S3.3Na,,,,,,CGYNYPLWYJDIFI-UHFFFAOYSA-K,,,,,,,,,,,
100.069.990,277-013-5,72912-33-5,"1-[2-bromo-1-(1,1-dimethylethoxy)ethyl]-4-methoxybenzene",1-(2-bromo-1-tert-butoxyethyl)-4-methoxybenzene,COc1ccc(cc1)C(CBr)OC(C)(C)C,COc1ccc(cc1)C(CBr)OC(C)(C)C,"InChI=1/C13H19BrO2/c1-13(2,3)16-12(9-14)10-5-7-11(15-4)8-6-10/h5-8,12H,9H2,1-4H3",C13H19BrO2,,,,,,XQCYJPFCGNRJEY-UHFFFAOYSA-N,,,,,,,,,,,
100.065.896,272-507-7,68856-30-4,"N-[(Z)-octadec-9-enyl]propane-1,3-diamine acetate","N-octadec-9-en-1-ylpropane-1,3-diamine acetate",CCCCCCCC\\C=C/CCCCCCCCNCCCN.CC(=O)O,CCCCCCCC\C=C/CCCCCCCCNCCCN.CC(=O)O,"InChI=1/C21H44N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2(3)4/h9-10,23H,2-8,11-22H2,1H3;1H3,(H,3,4)",C21H44N2.xC2H4O2,,,,,,VRZCLRBQXKWXBG-KVVVOXFISA-N,,,,,,,,,,,
100.065.902,272-514-5,68857-84-1,"3-(isopropyl)-1,1,2,6-tetramethylindan","3-isopropyl-1,1,2,6-tetramethylindane",CC(C)C1C(C)C(C)(C)c2cc(C)ccc12,CC(C)C1C(C)C(C)(C)c2cc(C)ccc12,"InChI=1/C16H24/c1-10(2)15-12(4)16(5,6)14-9-11(3)7-8-13(14)15/h7-10,12,15H,1-6H3",C16H24,,,,,,JLVMQRKTHPQUBM-UHFFFAOYSA-N,,,,,,,,,,,
100.065.908,272-520-8,68867-59-4,3-(butoxycarbonyl)-1-methylpyridinium methyl sulphate,3-(butoxycarbonyl)-1-methylpyridinium methyl sulfate,CCCCOC(=O)c1ccc[n+](C)c1.COS(=O)(=O)[O-],CCCCOC(=O)c1ccc[n+](C)c1.COS(=O)(=O)[O-],"InChI=1/C11H16NO2.CH4O4S/c1-3-4-8-14-11(13)10-6-5-7-12(2)9-10;1-5-6(2,3)4/h5-7,9H,3-4,8H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C11H16NO2.CH3O4S,,,,,,PQXZEJDABLZLMP-UHFFFAOYSA-M,,,,,,,,,,,
100.067.860,274-669-4,70556-52-4,2-methyl-1-(4-methyl-3-cyclohexen-1-yl)pent-1-en-3-ol,2-methyl-1-(4-methylcyclohex-3-en-1-yl)pent-1-en-3-ol,CCC(O)C(C)=CC1C\\C=C(\\C)CC1,CCC(O)C(C)=CC1C\C=C(\C)CC1,"InChI=1/C13H22O/c1-4-13(14)11(3)9-12-7-5-10(2)6-8-12/h5,9,12-14H,4,6-8H2,1-3H3",C13H22O,,,,,,XZSMHQUHZREMCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.870,274-680-4,70582-09-1,Calcium bis(4-aminobutyrate),calcium bis(4-aminobutanoate),[Ca+2].NCCCC(=O)[O-].NCCCC(=O)[O-],[Ca+2].NCCCC(=O)[O-].NCCCC(=O)[O-],"InChI=1/2C4H9NO2.Ca/c2*5-3-1-2-4(6)7;/h2*1-3,5H2,(H,6,7);/q;;+2/p-2",C4H9NO2.1/2Ca,,,,,,CZHUUMMBFBPPSX-UHFFFAOYSA-L,,,,,,,,,,,
100.068.751,275-649-8,71592-43-3,Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one,3-(3-methoxyphenyl)-1-methylazepan-2-one,COc1cccc(c1)C2CCCCN(C)C2=O,COc1cccc(c1)C2CCCCN(C)C2=O,"InChI=1/C14H19NO2/c1-15-9-4-3-8-13(14(15)16)11-6-5-7-12(10-11)17-2/h5-7,10,13H,3-4,8-9H2,1-2H3",C14H19NO2,,,,,,HPYQDDXKEGCTGC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.995,277-018-2,72927-70-9,"Tetrasodium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonate","tetrasodium 4,4'-bis{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-2,2'-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=NC5C(\\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C6=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C6=O,"InChI=1/C32H26N8O14S4.4Na/c1-17-29(31(41)39(37-17)21-5-9-23(10-6-21)55(43,44)45)35-33-19-3-13-25(27(15-19)57(49,50)51)26-14-4-20(16-28(26)58(52,53)54)34-36-30-18(2)38-40(32(30)42)22-7-11-24(12-8-22)56(46,47)48;;;;/h3-16,29-30H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C32H26N8O14S4.4Na,,,,,,IXEVSZSFDXDRLB-UHFFFAOYSA-J,,,,,,,,,,,
100.064.126,270-561-6,68443-85-6,"Isooctadecanoic acid, monoamide with 2-[(2-aminoethyl)amino]ethanol",16-methylheptadecanamide - 2-[(2-aminoethyl)amino]ethanol (1:1),CC(C)CCCCCCCCCCCCCCC(=O)N.NCCNCCO,CC(C)CCCCCCCCCCCCCCC(=O)N.NCCNCCO,"InChI=1/C18H37NO.C4H12N2O/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;5-1-2-6-3-4-7/h17H,3-16H2,1-2H3,(H2,19,20);6-7H,1-5H2",C22H46N2O2,,,,,,CQGNKFQLZKGCLM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.129,270-564-2,68443-90-3,"Phosphoric acid, butyl ester, compd. with morpholine",butyl dihydrogen phosphate - morpholine (1:1),CCCCOP(=O)(O)O.C1COCCN1,CCCCOP(=O)(O)O.C1COCCN1,"InChI=1/C4H9NO.C4H11O4P/c1-3-6-4-2-5-1;1-2-3-4-8-9(5,6)7/h5H,1-4H2;2-4H2,1H3,(H2,5,6,7)",-,,,,,,XIXQXPOTPBYPRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.143,270-579-4,68444-08-6,"Sodium 1-amino-9,10-dihydro-4-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({4-[(4-hydroxyphenyl)diazenyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Oc1ccc(cc1)N=Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O,[Na+].Oc1ccc(cc1)N=Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O,"InChI=1/C26H18N4O6S.Na/c27-24-21(37(34,35)36)13-20(22-23(24)26(33)19-4-2-1-3-18(19)25(22)32)28-14-5-7-15(8-6-14)29-30-16-9-11-17(31)12-10-16;/h1-13,28,31H,27H2,(H,34,35,36);/q;+1/p-1",C26H18N4O6S.Na,,,,,,AAJBUPGJXKDHSC-UHFFFAOYSA-M,,,,,,,,,,,
100.067.461,274-231-2,69943-67-5,"Tris(p-tert-pentylphenyl) phosphite, compound with dicyclohexylamine (1:1)","tris[4-(1,1-dimethylpropyl)phenyl] phosphite - N-cyclohexylcyclohexanamine (1:1)",CCC(C)(C)c1ccc(OP(Oc2ccc(cc2)C(C)(C)CC)Oc3ccc(cc3)C(C)(C)CC)cc1.C4CCC(CC4)NC5CCCCC5,CCC(C)(C)c1ccc(OP(Oc2ccc(cc2)C(C)(C)CC)Oc3ccc(cc3)C(C)(C)CC)cc1.C4CCC(CC4)NC5CCCCC5,"InChI=1/C33H45O3P.C12H23N/c1-10-31(4,5)25-13-19-28(20-14-25)34-37(35-29-21-15-26(16-22-29)32(6,7)11-2)36-30-23-17-27(18-24-30)33(8,9)12-3;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h13-24H,10-12H2,1-9H3;11-13H,1-10H2",C33H45O3P.C12H23N,,,,,,HBLBZUZADOHOCB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.465,274-235-4,69959-44-0,Calcium bis(4-hydroxybenzoate),calcium bis(4-hydroxybenzoate),[Ca+2].Oc1ccc(cc1)C(=O)[O-].Oc2ccc(cc2)C(=O)[O-],[Ca+2].Oc1ccc(cc1)C(=O)[O-].Oc2ccc(cc2)C(=O)[O-],"InChI=1/2C7H6O3.Ca/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",C7H6O3.1/2Ca,,,,,,DTFQOFKRUDOJCR-UHFFFAOYSA-L,,,,,,,,,,,
100.067.483,274-255-3,70017-56-0,"1-(2-methylnaphthyl)-1H-pyrrole-2,5-dione","1-(2-methyl-1-naphthyl)-1H-pyrrole-2,5-dione",Cc1ccc2ccccc2c1N3C(=O)C=CC3=O,Cc1ccc2ccccc2c1N3C(=O)C=CC3=O,"InChI=1/C15H11NO2/c1-10-6-7-11-4-2-3-5-12(11)15(10)16-13(17)8-9-14(16)18/h2-9H,1H3",C15H11NO2,,,,,,MEZJQXVOMGUAMP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.486,274-259-5,70024-54-3,"N,N,2-triethylhexanamide","N,N,2-triethylhexanamide",CCCCC(CC)C(=O)N(CC)CC,CCCCC(CC)C(=O)N(CC)CC,"InChI=1/C12H25NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4/h11H,5-10H2,1-4H3",C12H25NO,,,,,,LYGCLXFQIQORSE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.221,276-166-5,71889-06-0,"Sodium [[3-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]-1-oxopropyl]amino]benzenesulphonate","sodium 2-({N-[4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-beta-alanyl}amino)benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccccc1NC(=O)CCNc2ccc(NC3CCCCC3)c4C(=O)c5ccccc5C(=O)c24,[Na+].[O-]S(=O)(=O)c1ccccc1NC(=O)CCNc2ccc(NC3CCCCC3)c4C(=O)c5ccccc5C(=O)c24,"InChI=1/C29H29N3O6S.Na/c33-25(32-21-12-6-7-13-24(21)39(36,37)38)16-17-30-22-14-15-23(31-18-8-2-1-3-9-18)27-26(22)28(34)19-10-4-5-11-20(19)29(27)35;/h4-7,10-15,18,30-31H,1-3,8-9,16-17H2,(H,32,33)(H,36,37,38);/q;+1/p-1",C29H29N3O6S.Na,,,,,,IGYVYYZYJUHRMM-UHFFFAOYSA-M,,,,,,,,,,,
100.069.225,276-170-7,71893-43-1,Cyclohexylammonium tetrafluoroborate(1-),cyclohexanaminium tetrafluoroborate,[NH3+]C1CCCCC1.F[B-](F)(F)F,[NH3+]C1CCCCC1.F[B-](F)(F)F,"InChI=1/C6H13N.BF4/c7-6-4-2-1-3-5-6;2-1(3,4)5/h6H,1-5,7H2;/q;-1/p+1",C6H13N.BF4.H,,,,,,AEGXCISCJGARDW-UHFFFAOYSA-O,,,,,,,,,,,
100.069.233,276-179-6,71913-10-5,"Dodecane-1-sulphonic acid, compound with N,N-diethylcyclohexylamine (1:1)","dodecane-1-sulfonic acid - N,N-diethylcyclohexanamine (1:1)",CCCCCCCCCCCCS(=O)(=O)O.CCN(CC)C1CCCCC1,CCCCCCCCCCCCS(=O)(=O)O.CCN(CC)C1CCCCC1,"InChI=1/C12H26O3S.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-3-11(4-2)10-8-6-5-7-9-10/h2-12H2,1H3,(H,13,14,15);10H,3-9H2,1-2H3",C12H26O3S.C10H21N,,,,,,BRFMRWDVHYKKEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.234,276-180-1,71913-11-6,"Dodecane-1-sulphonic acid, compound with 2,2'-iminodiethanol (1:1)","dodecane-1-sulfonic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCS(=O)(=O)O.OCCNCCO,CCCCCCCCCCCCS(=O)(=O)O.OCCNCCO,"InChI=1/C12H26O3S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;6-3-1-5-2-4-7/h2-12H2,1H3,(H,13,14,15);5-7H,1-4H2",C12H26O3S.C4H11NO2,,,,,,PJZAXDKJCZUIMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.239,276-185-9,71929-11-8,[3-(dodecyloxy)-2-hydroxypropyl]diethylmethylammonium chloride,"3-(dodecyloxy)-N,N-diethyl-2-hydroxy-N-methylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCCOCC(O)C[N+](C)(CC)CC,[Cl-].CCCCCCCCCCCCOCC(O)C[N+](C)(CC)CC,"InChI=1/C20H44NO2.ClH/c1-5-8-9-10-11-12-13-14-15-16-17-23-19-20(22)18-21(4,6-2)7-3;/h20,22H,5-19H2,1-4H3;1H/q+1;/p-1",C20H44NO2.Cl,,,,,,GUKIQKYYFZQKGD-UHFFFAOYSA-M,,,,,,,,,,,
100.069.240,276-186-4,71929-13-0,"Sodium 2-(heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-1H-imidazolium hydroxide","sodium hydroxide - 3-[2-heptadec-1-en-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate (1:1)",[Na+].[OH-].OCC[N+]1(CC(O)CS([O-])(=O)=O)CC\\N=C1\\C=CCCCCCCCCCCCCCCC,[Na+].[OH-].OCC[N+]1(CC(O)CS([O-])(=O)=O)CC\N=C1\C=CCCCCCCCCCCCCCCC,"InChI=1/C25H48N2O5S.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-26-18-19-27(25,20-21-28)22-24(29)23-33(30,31)32;;/h16-17,24,28-29H,2-15,18-23H2,1H3;;1H2/q;+1;/p-1",C25H49N2O5S.HO.Na,,,,,,VUAGQMZCWSBMDT-UHFFFAOYSA-M,,,,,,,,,,,
100.066.374,273-033-3,68928-90-5,"Triethyl 2-(1,2-dioxopropoxy)propane-1,2,3-tricarboxylate","triethyl 2-(pyruvoyloxy)propane-1,2,3-tricarboxylate",CCOC(=O)CC(CC(=O)OCC)(OC(=O)C(=O)C)C(=O)OCC,CCOC(=O)CC(CC(=O)OCC)(OC(=O)C(=O)C)C(=O)OCC,"InChI=1/C15H22O9/c1-5-21-11(17)8-15(14(20)23-7-3,9-12(18)22-6-2)24-13(19)10(4)16/h5-9H2,1-4H3",C15H22O9,,,,,,GNVCGAGVWLLEDN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.876,274-687-2,70592-80-2,"Amines, C10-16-alkyldimethyl, N-oxides",dimethyl(tridecyl)amine oxide,CCCCCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1/C15H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17/h4-15H2,1-3H3",-,,,,,,VHXSGTCOHZCUKB-UHFFFAOYSA-N,,,,,,,,,,,
100.076.538,284-222-5,84819-41-0,"2-hydroxy-4-tetradecyl-1,3,2-dioxaborolane","4-tetradecyl-1,3,2-dioxaborolan-2-ol",CCCCCCCCCCCCCCC1COB(O)O1,CCCCCCCCCCCCCCC1COB(O)O1,"InChI=1/C16H33BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-19-17(18)20-16/h16,18H,2-15H2,1H3",C16H33BO3,,,,,,FQJYMHXZVHCZPC-UHFFFAOYSA-N,,,,,,,,,,,
100.076.548,284-233-5,84824-81-7,"1-(4,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one","1-(4,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one",CC1(C)CC(/C)=C\\CC1C(=O)C=CC,CC1(C)CC(/C)=C\CC1C(=O)C=CC,"InChI=1/C13H20O/c1-5-6-12(14)11-8-7-10(2)9-13(11,3)4/h5-7,11H,8-9H2,1-4H3",C13H20O,,,,,,RPBGCXLSUJNODQ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.552,284-237-7,84824-85-1,"(5a,6a)-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dipropionate","7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dipropanoate",CCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)CC)c5O[C@@H]1[C@]2(CCN3)c45,CCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC(=O)CC)c5O[C@@H]1[C@]2(CCN3)c45,"InChI=1/C22H25NO5/c1-3-17(24)26-15-7-5-12-11-14-13-6-8-16(27-18(25)4-2)21-22(13,9-10-23-14)19(12)20(15)28-21/h5-8,13-14,16,21,23H,3-4,9-11H2,1-2H3",C22H25NO5,,,,,,MSDLXFLPPJZPQW-NEKAMENDSA-N,,,,,,,,,,,
100.076.554,284-239-8,84824-87-3,"(5a,6a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl thiocyanate","3-methoxy-17-methyl-4,5-epoxymorphinan-6-yl thiocyanate",COc1ccc2C[C@@H]3[C@@H]4CC[C@H](SC#N)[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4CC[C@H](SC#N)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C19H22N2O2S/c1-21-8-7-19-12-4-6-15(24-10-20)18(19)23-17-14(22-2)5-3-11(16(17)19)9-13(12)21/h3,5,12-13,15,18H,4,6-9H2,1-2H3",C18H23NO3.CHNS,,,,,,YOHUSUMHNADSOZ-SSTWWWIQSA-N,,,,,,,,,,,
100.076.561,284-247-1,84824-94-2,4-(3-phenylpropyl)pyridin-2-amine,4-(3-phenylpropyl)pyridin-2-amine,Nc1cc(CCCc2ccccc2)ccn1,Nc1cc(CCCc2ccccc2)ccn1,"InChI=1/C14H16N2/c15-14-11-13(9-10-16-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H2,15,16)",C14H16N2,,,,,,KPQUJNDMWHPOOX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.544,280-921-4,83804-00-6,Bis[1-(methylphenyl)ethyl]phenol,"2,3-bis[1-(2-methylphenyl)ethyl]phenol",CC(c1ccccc1C)c2cccc(O)c2C(C)c3ccccc3C,CC(c1ccccc1C)c2cccc(O)c2C(C)c3ccccc3C,"InChI=1/C24H26O/c1-16-10-5-7-12-20(16)18(3)22-14-9-15-23(25)24(22)19(4)21-13-8-6-11-17(21)2/h5-15,18-19,25H,1-4H3",C24H26O,,,,,,LLJZRISLGKHATN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.547,280-925-6,83804-03-9,"Sodium [(9,10-dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino]benzenesulphonate","sodium 2-[(1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)amino]benzenesulfonate",[Na+].Oc1cc(Nc2ccccc2S(=O)(=O)[O-])c(O)c3C(=O)c4ccccc4C(=O)c13,[Na+].Oc1cc(Nc2ccccc2S(=O)(=O)[O-])c(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO7S.Na/c22-14-9-13(21-12-7-3-4-8-15(12)29(26,27)28)20(25)17-16(14)18(23)10-5-1-2-6-11(10)19(17)24;/h1-9,21-22,25H,(H,26,27,28);/q;+1/p-1",C20H13NO7S.Na,,,,,,XRJQTPJBHNHQGO-UHFFFAOYSA-M,,,,,,,,,,,
100.073.568,280-948-1,83817-48-5,"Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate","potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate",[K+].Cc1onc(c1C(=O)[O-])c2c(Cl)cccc2Cl,[K+].Cc1onc(c1C(=O)[O-])c2c(Cl)cccc2Cl,"InChI=1/C11H7Cl2NO3.K/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13;/h2-4H,1H3,(H,15,16);/q;+1/p-1",C11H7Cl2NO3.K,,,,,,GGEWUHWWTYFCLC-UHFFFAOYSA-M,,,,,,,,,,,
100.073.571,280-951-8,83817-51-0,Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate,ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate,CCOC(=O)c1c(C)onc1c2c(F)cccc2Cl,CCOC(=O)c1c(C)onc1c2c(F)cccc2Cl,"InChI=1/C13H11ClFNO3/c1-3-18-13(17)10-7(2)19-16-12(10)11-8(14)5-4-6-9(11)15/h4-6H,3H2,1-2H3",C13H11ClFNO3,,,,,,PPLHLTAXAFQXGE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.603,271-085-1,68515-43-5,"1,2-Benzenedicarboxylic acid, di-C9-11-branched and linear alkyl esters",dioctyl phthalate,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,"InChI=1/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10111,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.603,MQIUGAXCHLFZKX-UHFFFAOYSA-N,,,,,,,,,,,
100.064.605,271-087-2,68515-45-7,"1,2-Benzenedicarboxylic acid, dinonyl ester, branched and linear",dinonyl phthalate,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,"InChI=1/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3",-,,,,,,DROMNWUQASBTFM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.608,271-090-9,68515-48-0,"1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich",bis(7-methyloctyl) phthalate,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,"InChI=1/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3",-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13580,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.608,HBGGXOJOCNVPFY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.618,271-101-7,68515-60-6,"1,2,4-Benzenetricarboxylic acid, tri-C7-9-branched and linear alkyl esters","tris(3-ethyl-2-methylpentyl) benzene-1,2,4-tricarboxylate",CCC(CC)C(C)COC(=O)c1ccc(C(=O)OCC(C)C(CC)CC)c(c1)C(=O)OCC(C)C(CC)CC,CCC(CC)C(C)COC(=O)c1ccc(C(=O)OCC(C)C(CC)CC)c(c1)C(=O)OCC(C)C(CC)CC,"InChI=1/C33H54O6/c1-10-25(11-2)22(7)19-37-31(34)28-16-17-29(32(35)38-20-23(8)26(12-3)13-4)30(18-28)33(36)39-21-24(9)27(14-5)15-6/h16-18,22-27H,10-15,19-21H2,1-9H3",-,,,,,,TTXANHKIIWHKOU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.334,275-190-3,71097-32-0,"3,6-dimethylheptene-1-nitrile","3,6-dimethylhept-2-enenitrile",CC(CCC(C)C)=CC#N,CC(CCC(C)C)=CC#N,"InChI=1/C9H15N/c1-8(2)4-5-9(3)6-7-10/h6,8H,4-5H2,1-3H3",C9H15N,,,,,,BCUSWIAEJDAZAX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.407,279-671-9,81029-01-8,"2-[(2,4-diaminophenyl)thio]ethanol dihydrochloride","2-[(2,4-diaminophenyl)sulfanyl]ethanol dihydrochloride",Cl.Cl.Nc1ccc(SCCO)c(N)c1,Cl.Cl.Nc1ccc(SCCO)c(N)c1,"InChI=1/C8H12N2OS.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H",C8H12N2OS.2ClH,,,,,,FGLFTUALBKOWFM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.409,279-674-5,81029-03-0,"2,3-dimethyl-4-nitroanisole","1-methoxy-2,3-dimethyl-4-nitrobenzene",COc1ccc(c(C)c1C)[N+](=O)[O-],COc1ccc(c(C)c1C)[N+](=O)[O-],"InChI=1/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3",C9H11NO3,,,,,,DUBFMQLUMHKYOX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.410,279-675-0,81029-05-2,"1,3-diamino-7-(diethylamino)-4-methylphenoxazin-5-ium tetrachlorozincate (2:1)","bis[1,3-diamino-7-(diethylamino)-4-methylphenoxazin-5-ium] tetrachlorozincate(2-)",CCN(CC)c1ccc2nc3c(N)cc(N)c(C)c3[o+]c2c1.CCN(CC)c4ccc5nc6c(N)cc(N)c(C)c6[o+]c5c4.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc2nc3c(N)cc(N)c(C)c3[o+]c2c1.CCN(CC)c4ccc5nc6c(N)cc(N)c(C)c6[o+]c5c4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C17H21N4O.4ClH.Zn/c2*1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14;;;;;/h2*6-9H,4-5,18-19H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H21N4O.Cl4Zn/c2*1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14;1-5(2,3)4/h2*6-9H,4-5,18-19H2,1-3H3;/q2*+1;-2",C17H21N4O.1/2Cl4Zn,,,,,,IKWVEHNRKKWPIB-UHFFFAOYSA-J,,,,,,,,,,,
100.072.415,279-680-8,81050-13-7,"Diisobutyl 2,2'-dithiobisbenzoate","diisobutyl 2,2'-disulfanediyldibenzoate",CC(C)COC(=O)c1ccccc1SSc2ccccc2C(=O)OCC(C)C,CC(C)COC(=O)c1ccccc1SSc2ccccc2C(=O)OCC(C)C,"InChI=1/C22H26O4S2/c1-15(2)13-25-21(23)17-9-5-7-11-19(17)27-28-20-12-8-6-10-18(20)22(24)26-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3",C22H26O4S2,,,,,,ZHMPSNIPJWEEHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.425,279-691-8,81123-32-2,(R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]ethylene diicosanoate,"3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl diicosanoate",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)",C45H90NO8P,,,,,,KPHQJKTZXVNUHH-VZUYHUTRSA-N,,,,,,,,,,,
100.072.443,279-711-5,81232-18-0,p-vinylcinnamonitrile,3-(4-vinylphenyl)acrylonitrile,C=Cc1ccc(\\C=C\\C#N)cc1,C=Cc1ccc(\C=C\C#N)cc1,"InChI=1/C11H9N/c1-2-10-5-7-11(8-6-10)4-3-9-12/h2-8H,1H2",C11H9N,,,,,,FNWLIFTZDCZCIR-ONEGZZNKSA-N,,,,,,,,,,,
100.074.331,281-790-6,84030-19-3,1-benzyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-histidine,1-benzyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-histidine,OC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OCC3c4ccccc4c5ccccc35,OC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OCC3c4ccccc4c5ccccc35,"InChI=1/C28H25N3O4/c32-27(33)26(14-20-16-31(18-29-20)15-19-8-2-1-3-9-19)30-28(34)35-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,16,18,25-26H,14-15,17H2,(H,30,34)(H,32,33)",C28H25N3O4,,,,,,AZBCBZPTQNYCPF-SANMLTNESA-N,,,,,,,,,,,
100.074.343,281-804-0,84030-31-9,"N,N-dioctyl-N'-[2-(octylamino)ethyl]ethylenediamine","N,N-dioctyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine",CCCCCCCCNCCNCCN(CCCCCCCC)CCCCCCCC,CCCCCCCCNCCNCCN(CCCCCCCC)CCCCCCCC,"InChI=1/C28H61N3/c1-4-7-10-13-16-19-22-29-23-24-30-25-28-31(26-20-17-14-11-8-5-2)27-21-18-15-12-9-6-3/h29-30H,4-28H2,1-3H3",C28H61N3,,,,,,LXHBTTSMDMBMEG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.348,281-809-8,84030-36-4,"3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonic acid","3-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1,5-disulfonic acid",OS(=O)(=O)c4cccc1c4cc(cc1S(O)(=O)=O)N=NC3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,OS(=O)(=O)c4cccc1c4cc(cc1S(O)(=O)=O)N=NC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,"InChI=1/C20H16N4O10S3/c1-11-19(20(25)24(23-11)13-5-7-14(8-6-13)35(26,27)28)22-21-12-9-16-15(18(10-12)37(32,33)34)3-2-4-17(16)36(29,30)31/h2-10,19H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)",C20H16N4O10S3,,,,,,FXOBXXVFZKDNDD-UHFFFAOYSA-N,,,,,,,,,,,
100.074.361,281-823-4,84030-49-9,Bis(2-acetoxyethyl)phenylammonium acetate,"N,N-bis(2-acetoxyethyl)anilinium acetate",CC(=O)[O-].CC(=O)OCC[NH+](CCOC(=O)C)c1ccccc1,CC(=O)[O-].CC(=O)OCC[NH+](CCOC(=O)C)c1ccccc1,"InChI=1/C14H19NO4.C2H4O2/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14;1-2(3)4/h3-7H,8-11H2,1-2H3;1H3,(H,3,4)",C14H19NO4.C2H4O2,,,,,,QXTMNTHBVVVMBG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.362,281-825-5,84030-50-2,N-[3-[(2-cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide monoacetate,N-{3-[(2-cyanoethyl)(ethyl)amino]-4-methoxyphenyl}acetamide acetate,CCN(CCC#N)c1cc(NC(=O)C)ccc1OC.CC(=O)O,CCN(CCC#N)c1cc(NC(=O)C)ccc1OC.CC(=O)O,"InChI=1/C14H19N3O2.C2H4O2/c1-4-17(9-5-8-15)13-10-12(16-11(2)18)6-7-14(13)19-3;1-2(3)4/h6-7,10H,4-5,9H2,1-3H3,(H,16,18);1H3,(H,3,4)",C14H19N3O2.C2H4O2,,,,,,FVSAWYTZJIYXAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.144,270-581-5,68444-09-7,"Sodium 4-[[4-[(4-ethoxy-m-tolyl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonate","sodium 4-({4-[(4-ethoxy-3-methylphenyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)benzenesulfonate",[Na+].COc3cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(cc3N=Nc2cc(C)c(OCC)cc2)OC,[Na+].COc3cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(cc3N=Nc2cc(C)c(OCC)cc2)OC,"InChI=1/C23H24N4O6S.Na/c1-5-33-21-11-8-17(12-15(21)2)25-27-20-14-22(31-3)19(13-23(20)32-4)26-24-16-6-9-18(10-7-16)34(28,29)30;/h6-14H,5H2,1-4H3,(H,28,29,30);/q;+1/p-1",C23H24N4O6S.Na,,,,,,CXPIKMCKPMLZOY-UHFFFAOYSA-M,,,,,,,,,,,
100.064.145,270-582-0,68444-10-0,2-[N-(2-cyanoethyl)anilino]ethyl propionate,2-[(2-cyanoethyl)(phenyl)amino]ethyl propionate,CCC(=O)OCCN(CCC#N)c1ccccc1,CCC(=O)OCCN(CCC#N)c1ccccc1,"InChI=1/C14H18N2O2/c1-2-14(17)18-12-11-16(10-6-9-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,10-12H2,1H3",C14H18N2O2,,,,,,PDBRFOXCYVZTAU-UHFFFAOYSA-N,,,,,,,,,,,
100.064.150,270-587-8,68444-16-6,Bis(2-hydroxyethyl)methyl-3-(tridecyloxy)propylammonium chloride,"N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCOCCC[N+](C)(CCO)CCO,[Cl-].CCCCCCCCCCCCCOCCC[N+](C)(CCO)CCO,"InChI=1/C21H46NO3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-20-25-21-14-15-22(2,16-18-23)17-19-24;/h23-24H,3-21H2,1-2H3;1H/q+1;/p-1",C21H46NO3.Cl,,,,,,OCEJZQODVBRYFB-UHFFFAOYSA-M,,,,,,,,,,,
100.065.910,272-522-9,68867-65-2,2-heptadecyl-1-methyl-1H-benzimidazole methyl sulphate,-,CCCCCCCCCCCCCCCCCc1nc2ccccc2n1C.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCc1nc2ccccc2n1C.COS(=O)(=O)[O-],"InChI=1/C25H42N2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26-23-20-18-19-21-24(23)27(25)2;1-5-6(2,3)4/h18-21H,3-17,22H2,1-2H3;1H3,(H,2,3,4)/p-1",C25H42N2.CH4O4S,,,,,,XMDZJBIDPCECHF-UHFFFAOYSA-M,,,,,,,,,,,
100.065.911,272-523-4,68867-66-3,"N-[3-(octadecyloxy)propyl]propane-1,3-diamine","N-[3-(octadecyloxy)propyl]propane-1,3-diamine",CCCCCCCCCCCCCCCCCCOCCCNCCCN,CCCCCCCCCCCCCCCCCCOCCCNCCCN,"InChI=1/C24H52N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-24-19-22-26-21-18-20-25/h26H,2-25H2,1H3",C24H52N2O,,,,,,IIGPZNTWBXMEFO-UHFFFAOYSA-N,,,,,,,,,,,
100.065.933,272-548-0,68877-11-2,4-[(carboxymethyl)amino]dodecenyl-4-oxobutyric acid,5-[(carboxymethyl)amino]-4-oxohexadec-5-enoic acid,OC(=O)CNC(=CCCCCCCCCCC)C(=O)CCC(O)=O,OC(=O)CNC(=CCCCCCCCCCC)C(=O)CCC(O)=O,"InChI=1/C18H31NO5/c1-2-3-4-5-6-7-8-9-10-11-15(19-14-18(23)24)16(20)12-13-17(21)22/h11,19H,2-10,12-14H2,1H3,(H,21,22)(H,23,24)",C18H31NO5,,,,,,XFQUDOYKQFPARC-UHFFFAOYSA-N,,,,,,,,,,,
100.065.943,272-559-0,68877-33-8,"Disodium 4-amino-3-[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4-[(2,4-diaminophenyl)diazenyl]phenyl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Nc5ccc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O)c(N)c5,[Na+].[Na+].Nc5ccc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O)c(N)c5,"InChI=1/C28H23N9O7S2.2Na/c29-16-6-11-21(20(30)14-16)35-32-18-7-9-19(10-8-18)34-36-26-22(45(39,40)41)12-15-13-23(46(42,43)44)27(28(38)24(15)25(26)31)37-33-17-4-2-1-3-5-17;;/h1-14,38H,29-31H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C28H23N9O7S2.2Na,,,,,,DTKXMLMMQXFTMG-UHFFFAOYSA-L,,,,,,,,,,,
100.065.944,272-560-6,68877-34-9,"N-[3-[(2-ethylhexyl)oxy]propyl]propane-1,3-diamine","N-{3-[(2-ethylhexyl)oxy]propyl}propane-1,3-diamine",CCCCC(CC)COCCCNCCCN,CCCCC(CC)COCCCNCCCN,"InChI=1/C14H32N2O/c1-3-5-8-14(4-2)13-17-12-7-11-16-10-6-9-15/h14,16H,3-13,15H2,1-2H3",C14H32N2O,,,,,,BUTDSIPPSDVHKV-UHFFFAOYSA-N,,,,,,,,,,,
100.067.631,274-417-3,70210-20-7,"Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5,"InChI=1/C26H20ClN7O10S3.3Na/c1-34(15-7-3-2-4-8-15)26-30-24(27)29-25(31-26)28-18-13-16(45(36,37)38)11-14-12-20(47(42,43)44)22(23(35)21(14)18)33-32-17-9-5-6-10-19(17)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3",C26H20ClN7O10S3.3Na,,,,,,JGIGXKSJLSQJGQ-UHFFFAOYSA-K,,,,,,,,,,,
100.067.632,274-418-9,70210-21-8,"Trisodium 7-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-[{4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccccc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccccc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C26H20ClN7O10S3.3Na/c1-34(26-30-24(27)29-25(31-26)28-15-5-4-6-17(13-15)45(36,37)38)16-9-10-18-14(11-16)12-21(47(42,43)44)22(23(18)35)33-32-19-7-2-3-8-20(19)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3",C26H20ClN7O10S3.3Na,,,,,,MBAYVHBJJXOOIY-UHFFFAOYSA-K,,,,,,,,,,,
100.067.878,274-689-3,70593-32-7,N-[[(4-methoxyphenyl)amino]carbonyl]nicotinamide,N-[(4-methoxyphenyl)carbamoyl]nicotinamide,COc1ccc(NC(=O)NC(=O)c2cccnc2)cc1,COc1ccc(NC(=O)NC(=O)c2cccnc2)cc1,"InChI=1/C14H13N3O3/c1-20-12-6-4-11(5-7-12)16-14(19)17-13(18)10-3-2-8-15-9-10/h2-9H,1H3,(H2,16,17,18,19)",C14H13N3O3,,,,,,OMWHNVIIGWUJNB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.886,274-698-2,70615-15-5,"2,5-dimethyl-3-(3-sulphonatopropyl)benzoxazolium","3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate",Cc1ccc2oc(C)[n+](CCCS(=O)(=O)[O-])c2c1,Cc1ccc2oc(C)[n+](CCCS(=O)(=O)[O-])c2c1,"InChI=1/C12H15NO4S/c1-9-4-5-12-11(8-9)13(10(2)17-12)6-3-7-18(14,15)16/h4-5,8H,3,6-7H2,1-2H3",C12H15NO4S,,,,,,ZKSJRECMNSQHIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.890,274-702-2,70621-82-8,"2,4-dimethylhexanoic acid","2,4-dimethylhexanoic acid",CCC(C)CC(C)C(=O)O,CCC(C)CC(C)C(=O)O,"InChI=1/C8H16O2/c1-4-6(2)5-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)",C8H16O2,,,,,,GMWSHXONQKXRHS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.898,274-711-1,70632-11-0,"3-amino-7-[(2,4-diaminophenyl)azo]-2,8-dimethyl-5-phenylphenazinium chloride","3-amino-7-[(2,4-diaminophenyl)diazenyl]-2,8-dimethyl-5-phenylphenazin-5-ium chloride",[Cl-].Nc5ccc(N=Nc1cc2[n+](c3cc(N)c(C)cc3nc2cc1C)c4ccccc4)c(N)c5,[Cl-].Nc5ccc(N=Nc1cc2[n+](c3cc(N)c(C)cc3nc2cc1C)c4ccccc4)c(N)c5,"InChI=1/C26H23N7.ClH/c1-15-10-23-25(13-19(15)28)33(18-6-4-3-5-7-18)26-14-22(16(2)11-24(26)30-23)32-31-21-9-8-17(27)12-20(21)29;/h3-14H,1-2H3,(H5,27,28,29,32);1H",C26H24N7.Cl,,,,,,YSQYZEMKAREMTM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.899,274-712-7,70636-59-8,"Bis[2,2-bis[(allyloxy)methyl]butyl] maleate","bis{2,2-bis[(allyloxy)methyl]butyl} but-2-enedioate",CCC(COCC=C)(COCC=C)COC(=O)\\C=C/C(=O)OCC(CC)(COCC=C)COCC=C,CCC(COCC=C)(COCC=C)COC(=O)\C=C/C(=O)OCC(CC)(COCC=C)COCC=C,"InChI=1/C28H44O8/c1-7-15-31-19-27(11-5,20-32-16-8-2)23-35-25(29)13-14-26(30)36-24-28(12-6,21-33-17-9-3)22-34-18-10-4/h7-10,13-14H,1-4,11-12,15-24H2,5-6H3",C28H44O8,,,,,,UTQSYOHXPNKDGF-YPKPFQOOSA-N,,,,,,,,,,,
100.067.903,274-716-9,70644-47-2,N-(benzyl)-6-methylpyridin-2-amine,N-benzyl-6-methylpyridin-2-amine,Cc1cccc(NCc2ccccc2)n1,Cc1cccc(NCc2ccccc2)n1,"InChI=1/C13H14N2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)",C13H14N2,,,,,,FJZQUYGOKRVORO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.904,274-717-4,70644-48-3,"Thiocyanic acid, compound with 4,4'-(propane-1,3-diyl)bis[piperidine] (2:1)","4,4'-propane-1,3-diyldipiperidine bis(thiocyanate)",SC#N.SC#N.C(CC1CCNCC1)CC2CCNCC2,SC#N.SC#N.C(CC1CCNCC1)CC2CCNCC2,"InChI=1/C13H26N2.2CHNS/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;2*2-1-3/h12-15H,1-11H2;2*3H",C13H26N2.2CHNS,,,,,,ZIFWEUNITNWNCH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.490,274-263-7,70024-69-0,"Benzenesulfonic acid, mono-C16-24-alkyl derivs., calcium salts",sodium 4-icosylbenzenesulfonate,[Na+].CCCCCCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C26H46O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(24-22-25)30(27,28)29;/h21-24H,2-20H2,1H3,(H,27,28,29);/q;+1/p-1",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14495,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.490,UDXSMDZKFXABLJ-UHFFFAOYSA-M,,,,,,,,,,,
100.068.628,275-514-3,71486-42-5,a-[2-(dimethylamino)ethyl]-a-phenylpyridine-2-acetonitrile,4-(dimethylamino)-2-phenyl-2-pyridin-2-ylbutanenitrile,CN(C)CCC(C#N)(c1ccccc1)c2ccccn2,CN(C)CCC(C#N)(c1ccccc1)c2ccccn2,"InChI=1/C17H19N3/c1-20(2)13-11-17(14-18,15-8-4-3-5-9-15)16-10-6-7-12-19-16/h3-10,12H,11,13H2,1-2H3",C17H19N3,,,,,,BMSOFNLCZSJLIN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.633,275-520-6,71486-47-0,"Stearic acid, compound with N-methylcyclohexylamine (1:1)",octadecanoic acid - N-methylcyclohexanamine (1:1),CCCCCCCCCCCCCCCCCC(=O)O.CNC1CCCCC1,CCCCCCCCCCCCCCCCCC(=O)O.CNC1CCCCC1,"InChI=1/C18H36O2.C7H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8-7-5-3-2-4-6-7/h2-17H2,1H3,(H,19,20);7-8H,2-6H2,1H3",C18H36O2.C7H15N,,,,,,RDSVHGAVMQCGCM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.636,275-523-2,71486-50-5,"1,2-dihydro-3-oxo-2-phenyl-3H-pyrazol-1-yl ethyl carbonate","1-[(ethoxycarbonyl)oxy]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",CCOC(=O)ON1C=CC(=O)N1c2ccccc2,CCOC(=O)ON1C=CC(=O)N1c2ccccc2,"InChI=1/C12H12N2O4/c1-2-17-12(16)18-13-9-8-11(15)14(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3",C12H12N2O4,,,,,,LGWFCQQARLTHNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.641,275-529-5,71486-55-0,"Ethyl 4-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino]benzoate","ethyl 4-[(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)amino]benzoate",CCOC(=O)c1ccc(NC2=NNC(=S)S2)cc1,CCOC(=O)c1ccc(NC2=NNC(=S)S2)cc1,"InChI=1/C11H11N3O2S2/c1-2-16-9(15)7-3-5-8(6-4-7)12-10-13-14-11(17)18-10/h3-6H,2H2,1H3,(H,12,13)(H,14,17)",C11H11N3O2S2,,,,,,NCWWKHAQSXNADA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.265,274-014-2,69470-51-5,Potassium piperidine-2-carboxylate,potassium piperidine-2-carboxylate,[K+].[O-]C(=O)C1CCCCN1,[K+].[O-]C(=O)C1CCCCN1,"InChI=1/C6H11NO2.K/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);/q;+1/p-1",C6H11NO2.K,,,,,,PRTGTWJCRVLSCO-UHFFFAOYSA-M,,,,,,,,,,,
100.067.270,274-020-5,69489-72-1,"4,4'-[1,2-ethanediylbis(oxy)]bis[3,5-dichlorobenzoic] acid","4,4'-[ethane-1,2-diylbis(oxy)]bis(3,5-dichlorobenzoic acid)",OC(=O)c1cc(Cl)c(OCCOc2c(Cl)cc(cc2Cl)C(=O)O)c(Cl)c1,OC(=O)c1cc(Cl)c(OCCOc2c(Cl)cc(cc2Cl)C(=O)O)c(Cl)c1,"InChI=1/C16H10Cl4O6/c17-9-3-7(15(21)22)4-10(18)13(9)25-1-2-26-14-11(19)5-8(16(23)24)6-12(14)20/h3-6H,1-2H2,(H,21,22)(H,23,24)",C16H10Cl4O6,,,,,,NDWFEBIZSZASBK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.622,271-105-9,68515-75-3,"Hexanedioic acid, di-C7-9-branched and linear alkyl esters",dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,"InChI=1/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",-,,,,,,NEHDRDVHPTWWFG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.910,274-724-2,70657-70-4,2-methoxypropyl acetate,2-methoxypropyl acetate,COC(C)COC(=O)C,COC(C)COC(=O)C,"InChI=1/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3",C6H12O3,,,,,,BTZVKSVLFLRBRE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.911,274-725-8,70660-45-6,"3-[[2,4-diamino-5-[[4-(4-nitro-2-sulphoanilino)phenyl]azo]phenyl]azo]-5-sulphosalicylic acid","3-{[2,4-diamino-5-({4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-2-hydroxy-5-sulfobenzoic acid",Oc4c(cc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S(O)(=O)=O)C(O)=O,Oc4c(cc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S(O)(=O)=O)C(O)=O,"InChI=1/C25H20N8O11S2/c26-17-10-18(27)21(31-32-22-9-15(45(39,40)41)8-16(24(22)34)25(35)36)11-20(17)30-29-13-3-1-12(2-4-13)28-19-6-5-14(33(37)38)7-23(19)46(42,43)44/h1-11,28,34H,26-27H2,(H,35,36)(H,39,40,41)(H,42,43,44)",C25H20N8O11S2,,,,,,BGGDFJOSVFIDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.916,274-731-0,70660-53-6,"2,2'-[[3-methyl-4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]imino]bisethyl diacetate","({3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c3ccc(N=Nc1nc2ccc(cc2s1)[N+]([O-])=O)c(C)c3,CC(=O)OCCN(CCOC(C)=O)c3ccc(N=Nc1nc2ccc(cc2s1)[N+]([O-])=O)c(C)c3,"InChI=1/C22H23N5O6S/c1-14-12-17(26(8-10-32-15(2)28)9-11-33-16(3)29)4-6-19(14)24-25-22-23-20-7-5-18(27(30)31)13-21(20)34-22/h4-7,12-13H,8-11H2,1-3H3",C22H23N5O6S,,,,,,QWTGQMDYCRRUTB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.920,274-735-2,70660-58-1,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium hydrogen sulphate","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethyl}pyridinium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)c(Cl)c3,[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C22H22Cl2N5O2.H2O4S.H2/c1-3-28(12-11-27-9-5-4-6-10-27)17-7-8-21(16(2)13-17)25-26-22-19(23)14-18(29(30)31)15-20(22)24;1-5(2,3)4;/h4-10,13-15H,3,11-12H2,1-2H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C22H22Cl2N5O2.HO4S,,,,,,CETWZRFHWSAAFL-UHFFFAOYSA-M,,,,,,,,,,,
100.067.923,274-738-9,70675-10-4,Calcium naphthyl phosphate,calcium 1-naphthyl phosphate,[Ca+2].[O-]P(=O)([O-])Oc1cccc2ccccc12,[Ca+2].[O-]P(=O)([O-])Oc1cccc2ccccc12,"InChI=1/C10H9O4P.Ca/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+2/p-2",C10H9O4P.Ca,,,,,,JHWQTXKKDJLMPZ-UHFFFAOYSA-L,,,,,,,,,,,
100.067.929,274-745-7,70682-65-4,"O,O-bis(sec-butyl) hydrogen dithiophosphate, compound with dicyclohexylamine (1:1)","O,O-di-sec-butyl hydrogen dithiophosphate - N-cyclohexylcyclohexanamine (1:1)",CCC(C)OP(=S)(S)OC(C)CC.C1CCC(CC1)NC2CCCCC2,CCC(C)OP(=S)(S)OC(C)CC.C1CCC(CC1)NC2CCCCC2,"InChI=1/C12H23N.C8H19O2PS2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-7(3)9-11(12,13)10-8(4)6-2/h11-13H,1-10H2;7-8H,5-6H2,1-4H3,(H,12,13)",C12H23N.C8H19O2PS2,,,,,,XIAQKZQARUSYBU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.655,275-544-7,71501-12-7,"2,6-bis(1-methylpropyl)cyclohexan-1-one","2,6-di-sec-butylcyclohexanone",CCC(C)C1CCCC(C(C)CC)C1=O,CCC(C)C1CCCC(C(C)CC)C1=O,"InChI=1/C14H26O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h10-13H,5-9H2,1-4H3",C14H26O,,,,,,DAHPLMKJYAYVAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.659,275-548-9,71501-17-2,4'-methoxy-4-(p-methoxyphenyl)butyrophenone,"1,4-bis(4-methoxyphenyl)butan-1-one",COc1ccc(CCCC(=O)c2ccc(OC)cc2)cc1,COc1ccc(CCCC(=O)c2ccc(OC)cc2)cc1,"InChI=1/C18H20O3/c1-20-16-10-6-14(7-11-16)4-3-5-18(19)15-8-12-17(21-2)13-9-15/h6-13H,3-5H2,1-2H3",C18H20O3,,,,,,HCSVINSPTVVFOA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.661,275-551-5,71501-20-7,"N,N,2-trimethylquinolin-6-amine, compound with iodomethane (1:1)","N,N,2-trimethylquinolin-6-amine - iodomethane (1:1)",CI.CN(C)c1ccc2nc(C)ccc2c1,CI.CN(C)c1ccc2nc(C)ccc2c1,"InChI=1/C12H14N2.CH3I/c1-9-4-5-10-8-11(14(2)3)6-7-12(10)13-9;1-2/h4-8H,1-3H3;1H3",C12H14N2.CH3I,,,,,,HPPIBEXSFJHGSC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.665,275-555-7,71501-26-3,6-chloro-4-methyl-1H-indole-3-thiol,6-chloro-4-methyl-1H-indole-3-thiol,Cc1cc(Cl)cc2[nH]cc(S)c12,Cc1cc(Cl)cc2[nH]cc(S)c12,"InChI=1/C9H8ClNS/c1-5-2-6(10)3-7-9(5)8(12)4-11-7/h2-4,11-12H,1H3",C9H8ClNS,,,,,,UWWJKBNMJSXSCH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.670,275-560-4,71501-31-0,2-chloro-4-nitrobenzanilide,2-chloro-4-nitro-N-phenylbenzamide,[O-][N+](=O)c1ccc(C(=O)Nc2ccccc2)c(Cl)c1,[O-][N+](=O)c1ccc(C(=O)Nc2ccccc2)c(Cl)c1,"InChI=1/C13H9ClN2O3/c14-12-8-10(16(18)19)6-7-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)",C13H9ClN2O3,,,,,,HKFKBQGYOFOVFH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.671,275-562-5,71501-32-1,Sodium 4-chloro-5-nitrotoluene-3-sulphonate,sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate,[Na+].Cc1cc(c(Cl)c(c1)S(=O)(=O)[O-])[N+](=O)[O-],[Na+].Cc1cc(c(Cl)c(c1)S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C7H6ClNO5S.Na/c1-4-2-5(9(10)11)7(8)6(3-4)15(12,13)14;/h2-3H,1H3,(H,12,13,14);/q;+1/p-1",C7H6ClNO5S.Na,,,,,,GQZBJDARSGYLNM-UHFFFAOYSA-M,,,,,,,,,,,
100.074.363,281-826-0,84030-51-3,(5-acetamido-2-methoxyphenyl)bis(2-acetoxyethyl)ammonium acetate,"5-acetamido-N,N-bis(2-acetoxyethyl)-2-methoxyanilinium acetate",COc1ccc(NC(=O)C)cc1[NH+](CCOC(=O)C)CCOC(=O)C.CC(=O)[O-],COc1ccc(NC(=O)C)cc1[NH+](CCOC(=O)C)CCOC(=O)C.CC(=O)[O-],"InChI=1/C17H24N2O6.C2H4O2/c1-12(20)18-15-5-6-17(23-4)16(11-15)19(7-9-24-13(2)21)8-10-25-14(3)22;1-2(3)4/h5-6,11H,7-10H2,1-4H3,(H,18,20);1H3,(H,3,4)",C17H24N2O6.C2H4O2,,,,,,UYNYBIGIXRLSBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.556,268-832-9,68141-11-7,p-tolyl hexanoate,4-methylphenyl hexanoate,CCCCCC(=O)Oc1ccc(C)cc1,CCCCCC(=O)Oc1ccc(C)cc1,"InChI=1/C13H18O2/c1-3-4-5-6-13(14)15-12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3",C13H18O2,,,,,,CUKVJQWRXQTFRF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.557,268-833-4,68141-12-8,Propyl p-methoxycinnamate,propyl 3-(4-methoxyphenyl)acrylate,CCCOC(=O)\\C=C\\c1ccc(OC)cc1,CCCOC(=O)\C=C\c1ccc(OC)cc1,"InChI=1/C13H16O3/c1-3-10-16-13(14)9-6-11-4-7-12(15-2)8-5-11/h4-9H,3,10H2,1-2H3",C13H16O3,,,,,,WZXKPNYMUZGZIA-RMKNXTFCSA-N,,,,,,,,,,,
100.062.558,268-835-5,68141-13-9,6-tert-butylquinoline,6-tert-butylquinoline,CC(C)(C)c1ccc2ncccc2c1,CC(C)(C)c1ccc2ncccc2c1,"InChI=1/C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3",C13H15N,,,,,,JHAWWJQGHKGXHA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.562,268-839-7,68141-17-3,"1,1-dimethoxy-2-methylundecane","1,1-dimethoxy-2-methylundecane",CCCCCCCCCC(C)C(OC)OC,CCCCCCCCCC(C)C(OC)OC,"InChI=1/C14H30O2/c1-5-6-7-8-9-10-11-12-13(2)14(15-3)16-4/h13-14H,5-12H2,1-4H3",C14H30O2,,,,,,NJXYRZMLVYMJHM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.571,268-849-1,68141-26-4,6-isobutylquinoline,6-isobutylquinoline,CC(C)Cc1ccc2ncccc2c1,CC(C)Cc1ccc2ncccc2c1,"InChI=1/C13H15N/c1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13/h3-7,9-10H,8H2,1-2H3",C13H15N,,,,,,YKGUUBIPVHRERN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.340,275-197-1,71113-18-3,"1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-, tetrasodium salt","tetrasodium 1-[3-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-methyl-5-sulfonatophenyl]-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc7ccc(N=NC6\\C(=N/N(c5cc(cc(Nc4nc(Nc3cccc(c3)S([O-])(=O)=O)nc(Cl)n4)c5C)S([O-])(=O)=O)C6=O)C([O-])=O)c(c7)S(O)(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc7ccc(N=NC6\C(=N/N(c5cc(cc(Nc4nc(Nc3cccc(c3)S([O-])(=O)=O)nc(Cl)n4)c5C)S([O-])(=O)=O)C6=O)C([O-])=O)c(c7)S(O)(=O)=O,"InChI=1/C35H26Cl2N14O15S4.4Na/c1-15-23(41-35-45-31(37)44-33(47-35)39-17-5-3-7-20(11-17)68(58,59)60)13-21(69(61,62)63)14-24(15)51-28(52)26(27(50-51)29(53)54)49-48-22-9-8-18(12-25(22)70(64,65)66)40-34-43-30(36)42-32(46-34)38-16-4-2-6-19(10-16)67(55,56)57;;;;/h2-14,26H,1H3,(H,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,38,40,42,43,46)(H2,39,41,44,45,47);;;;/q;4*+1/p-4",C35H26Cl2N14O15S4.4Na,,,,,,LPEINYYLAYPWSP-UHFFFAOYSA-J,,,,,,,,,,,
100.068.341,275-198-7,71113-20-7,"1,3,5-tris(3,3-difluoroallyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris(3,3-difluoroprop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione",FC(=CCN1C(=O)N(CC=C(F)F)C(=O)N(CC=C(F)F)C1=O)F,FC(=CCN1C(=O)N(CC=C(F)F)C(=O)N(CC=C(F)F)C1=O)F,"InChI=1/C12H9F6N3O3/c13-7(14)1-4-19-10(22)20(5-2-8(15)16)12(24)21(11(19)23)6-3-9(17)18/h1-3H,4-6H2",C12H9F6N3O3,,,,,,NVNLYDHRKLFDMW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.345,275-202-7,71116-83-1,"[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium 7-[3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)but-1-enyl]cyclopentyl]hept-5-enoate","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 7-{3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)but-1-en-1-yl]cyclopentyl}hept-5-enoate",OC(COc1ccsc1)C=CC2C(CC=CCCCC([O-])=O)C(O)CC2O.[NH3+]C(CO)(CO)CO,OC(COc1ccsc1)C=CC2C(CC=CCCCC([O-])=O)C(O)CC2O.[NH3+]C(CO)(CO)CO,"InChI=1/C20H28O6S.C4H11NO3/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25;5-4(1-6,2-7)3-8/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25);6-8H,1-3,5H2",C20H28O6S.C4H11NO3,,,,,,ANXQNUUWCDBQFB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.354,275-212-1,71130-54-6,Phenyl (4-cyanophenyl)carbamate,phenyl (4-cyanophenyl)carbamate,O=C(Nc1ccc(cc1)C#N)Oc2ccccc2,O=C(Nc1ccc(cc1)C#N)Oc2ccccc2,"InChI=1/C14H10N2O2/c15-10-11-6-8-12(9-7-11)16-14(17)18-13-4-2-1-3-5-13/h1-9H,(H,16,17)",C14H10N2O2,,,,,,BXXVRXJSDVTMJN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.363,275-222-6,71154-85-3,"3-oxopregna-1,4-diene-20-carboxylic acid","2-(10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)propanoic acid (non-preferred name)",CC([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(=O)O,CC([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(=O)O,"InChI=1/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)",C22H30O3,,,,,,OZESBBVMFLIODA-VJFOQZSSSA-N,,,,,,,,,,,
100.068.365,275-224-7,71160-05-9,Dimethyl malonoimidate dihydrochloride,methyl 3-imino-3-methoxypropanoate dihydrochloride,Cl.Cl.COC(=N)CC(=O)OC,Cl.Cl.COC(=N)CC(=O)OC,"InChI=1/C5H9NO3.2ClH/c1-8-4(6)3-5(7)9-2;;/h6H,3H2,1-2H3;2*1H",C5H10N2O2.2ClH,,,,,,ISKLSYPBAOCHPO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.634,274-421-5,70210-24-1,"Disodium 5-[[2,4-dihydroxy-5-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-({2,4-dihydroxy-5-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc2cc(O)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc2cc(O)c(cc2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C28H18N8O13S2.2Na/c37-23-13-24(38)21(12-20(23)31-29-15-1-5-17(6-2-15)35(40)41)32-33-22-11-19(50(44,45)46)9-14-10-25(51(47,48)49)27(28(39)26(14)22)34-30-16-3-7-18(8-4-16)36(42)43;;/h1-13,37-39H,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C28H18N8O13S2.2Na,,,,,,LVGAADSJOUNIDE-UHFFFAOYSA-L,,,,,,,,,,,
100.067.639,274-426-2,70210-30-9,"Tetrasodium 2,2'-[1,4-phenylenebis[carbonylimino[2-acetamido-4,1-phenylene]azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]","tetrasodium 2,2'-{1,4-phenylenebis[carbonylimino(2-acetamido-4,1-phenylene)diazene-2,1-diyl]}bis{5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate}",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7ccc(N=Nc2ccc(cc2NC(C)=O)NC(=O)c3ccc(cc3)C(=O)Nc6ccc(N=Nc4ccc(cc4S([O-])(=O)=O)N=Nc5ccc(cc5)S([O-])(=O)=O)c(NC(C)=O)c6)c(c7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7ccc(N=Nc2ccc(cc2NC(C)=O)NC(=O)c3ccc(cc3)C(=O)Nc6ccc(N=Nc4ccc(cc4S([O-])(=O)=O)N=Nc5ccc(cc5)S([O-])(=O)=O)c(NC(C)=O)c6)c(c7)S([O-])(=O)=O,"InChI=1/C48H38N12O16S4.4Na/c1-27(61)49-43-23-33(11-19-39(43)57-59-41-21-13-35(25-45(41)79(71,72)73)55-53-31-7-15-37(16-8-31)77(65,66)67)51-47(63)29-3-5-30(6-4-29)48(64)52-34-12-20-40(44(24-34)50-28(2)62)58-60-42-22-14-36(26-46(42)80(74,75)76)56-54-32-9-17-38(18-10-32)78(68,69)70;;;;/h3-26H,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4",C48H38N12O16S4.4Na,,,,,,WSEZSNOMENOMIG-UHFFFAOYSA-J,,,,,,,,,,,
100.067.641,274-428-3,70210-32-1,"Sodium 3-benzamido-4-hydroxy-5-[[1-[[4'-[[2-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-1,3-dioxobutyl]amino]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]carbamoyl]-2-oxopropyl]azo]benzenesulphonate","sodium 3-(benzoylamino)-4-hydroxy-5-{[1-({4'-[(2-{[2-hydroxy-5-(methylsulfonyl)phenyl]diazenyl}-3-oxobutanoyl)amino]-3,3'-dimethoxybiphenyl-4-yl}carbamoyl)-2-oxopropyl]diazenyl}benzenesulfonate",[Na+].COc3cc(ccc3NC(=O)C(N=Nc2cc(cc(NC(=O)c1ccccc1)c2O)S([O-])(=O)=O)C(C)=O)c5ccc(NC(=O)C(N=Nc4cc(ccc4O)S(C)(=O)=O)C(C)=O)c(OC)c5,[Na+].COc3cc(ccc3NC(=O)C(N=Nc2cc(cc(NC(=O)c1ccccc1)c2O)S([O-])(=O)=O)C(C)=O)c5ccc(NC(=O)C(N=Nc4cc(ccc4O)S(C)(=O)=O)C(C)=O)c(OC)c5,"InChI=1/C42H39N7O14S2.Na/c1-22(50)37(48-46-31-19-27(64(5,57)58)13-16-34(31)52)41(55)43-29-14-11-25(17-35(29)62-3)26-12-15-30(36(18-26)63-4)44-42(56)38(23(2)51)49-47-33-21-28(65(59,60)61)20-32(39(33)53)45-40(54)24-9-7-6-8-10-24;/h6-21,37-38,52-53H,1-5H3,(H,43,55)(H,44,56)(H,45,54)(H,59,60,61);/q;+1/p-1",C42H39N7O14S2.Na,,,,,,ALJYWCSPZXLTDA-UHFFFAOYSA-M,,,,,,,,,,,
100.067.646,274-434-6,70210-37-6,"Disodium 5-(benzoylamino)-4-hydroxy-3-[[2-(2-methylphenoxy)phenyl]azo]naphthalene-2,7-disulphonate","disodium 5-(benzoylamino)-4-hydroxy-3-{[2-(2-methylphenoxy)phenyl]diazenyl}naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4ccccc4Oc3ccccc3C)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4ccccc4Oc3ccccc3C)S([O-])(=O)=O,"InChI=1/C30H23N3O9S2.2Na/c1-18-9-5-7-13-24(18)42-25-14-8-6-12-22(25)32-33-28-26(44(39,40)41)16-20-15-21(43(36,37)38)17-23(27(20)29(28)34)31-30(35)19-10-3-2-4-11-19;;/h2-17,34H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C30H23N3O9S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17097,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.646,UZSOSPUHRLUDJW-UHFFFAOYSA-L,,,,,,,,,,,
100.067.651,274-439-3,70210-42-3,"Disodium 1-amino-4-[[3-[(2,3-dibromo-1-oxopropyl)amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-({3-[(2,3-dibromopropanoyl)amino]-2,4,6-trimethyl-5-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1c(NC(=O)C(Br)CBr)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Cc1c(NC(=O)C(Br)CBr)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C26H23Br2N3O9S2.2Na/c1-10-21(11(2)25(42(38,39)40)12(3)22(10)31-26(34)15(28)9-27)30-16-8-17(41(35,36)37)20(29)19-18(16)23(32)13-6-4-5-7-14(13)24(19)33;;/h4-8,15,30H,9,29H2,1-3H3,(H,31,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C26H23Br2N3O9S2.2Na,,,,,,SQRKXGOXNHPTSS-UHFFFAOYSA-L,,,,,,,,,,,
100.068.763,275-662-9,71604-74-5,"m-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline","3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline",C(Oc1cccc(c1)N(CC2CO2)CC3CO3)C4CO4,C(Oc1cccc(c1)N(CC2CO2)CC3CO3)C4CO4,"InChI=1/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2",C15H19NO4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15967,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.763,VAGOJLCWTUPBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.766,275-666-0,71605-86-2,2-hexenyl phenylacetate,hex-2-en-1-yl phenylacetate,O=C(Cc1ccccc1)OCC=CCCC,O=C(Cc1ccccc1)OCC=CCCC,"InChI=1/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h4-10H,2-3,11-12H2,1H3",C14H18O2,,,,,,BYGAPGDXGHDYGP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.767,275-667-6,71605-87-3,[2-(dimethoxymethyl)-1-octenyl]benzene,[2-(dimethoxymethyl)oct-1-en-1-yl]benzene,COC(OC)C(=Cc1ccccc1)CCCCCC,COC(OC)C(=Cc1ccccc1)CCCCCC,"InChI=1/C17H26O2/c1-4-5-6-10-13-16(17(18-2)19-3)14-15-11-8-7-9-12-15/h7-9,11-12,14,17H,4-6,10,13H2,1-3H3",C17H26O2,,,,,,MYVSPFCEDINMQL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.775,275-676-5,71607-35-7,Vinyl dicyanoacetate,vinyl dicyanoacetate,C=COC(=O)C(C#N)C#N,C=COC(=O)C(C#N)C#N,"InChI=1/C6H4N2O2/c1-2-10-6(9)5(3-7)4-8/h2,5H,1H2",C6H4N2O2,,,,,,UYRWDPUVLULWRK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.282,274-033-6,69537-38-8,2-hydroxy-3-[(1-oxodocosyl)oxy]propyltrimethylammonium chloride,"3-(docosanoyloxy)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)C[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)C[N+](C)(C)C,"InChI=1/C28H58NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(31)32-26-27(30)25-29(2,3)4;/h27,30H,5-26H2,1-4H3;1H/q+1;/p-1",C28H58NO3.Cl,,,,,,GGFDFNHQSGONII-UHFFFAOYSA-M,,,,,,,,,,,
100.067.290,274-042-5,69563-63-9,"Diethyl sulphate, compound with N-methyl-N-[4-[(4-methyl-4H-1,2,4-triazol-3-yl)azo]phenyl]benzylamine (1:1)","diethyl sulfate - N-benzyl-N-methyl-4-[(4-methyl-4H-1,2,4-triazol-3-yl)diazenyl]aniline (1:1)",Cn3cnnc3N=Nc1ccc(cc1)N(C)Cc2ccccc2.O=S(=O)(OCC)OCC,Cn3cnnc3N=Nc1ccc(cc1)N(C)Cc2ccccc2.O=S(=O)(OCC)OCC,"InChI=1/C17H18N6.C4H10O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)19-21-17-20-18-13-23(17)2;1-3-7-9(5,6)8-4-2/h3-11,13H,12H2,1-2H3;3-4H2,1-2H3",C17H18N6.C2H6O4S,,,,,,NVIZTCGCGGSWMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.294,274-046-7,69571-22-8,"4,4'-bis[(4-methoxyphenyl)azo]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis{5-[(4-methoxyphenyl)diazenyl]benzenesulfonic acid}",COc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(OC)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)cc4,COc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(OC)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)cc4,"InChI=1/C28H24N4O8S2/c1-39-25-13-9-21(10-14-25)29-31-23-7-5-19(27(17-23)41(33,34)35)3-4-20-6-8-24(18-28(20)42(36,37)38)32-30-22-11-15-26(40-2)16-12-22/h3-18H,1-2H3,(H,33,34,35)(H,36,37,38)",C28H24N4O8S2,,,,,,ARNYAFUSKMSJTN-FPDVXUDYSA-N,,,,,,,,,,,
100.067.295,274-047-2,69574-07-8,"3,5-diethyl-4-hydroxybenzaldehyde","3,5-diethyl-4-hydroxybenzaldehyde",CCc1cc(C=O)cc(CC)c1O,CCc1cc(C=O)cc(CC)c1O,"InChI=1/C11H14O2/c1-3-9-5-8(7-12)6-10(4-2)11(9)13/h5-7,13H,3-4H2,1-2H3",C11H14O2,,,,,,MLNOWFFHYALTKS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.298,274-050-9,69581-33-5,N-(3-chlorophenyl)-N-(tetrahydro-2-oxo-3-furyl)cyclopropanecarboxamide,N-(3-chlorophenyl)-N-(2-oxotetrahydrofuran-3-yl)cyclopropanecarboxamide,Clc1cccc(c1)N(C2CCOC2=O)C(=O)C3CC3,Clc1cccc(c1)N(C2CCOC2=O)C(=O)C3CC3,"InChI=1/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2",C14H14ClNO3,,,,,,KRZUZYJEQBXUIN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.299,274-051-4,69584-87-8,"(2,5-difluorophenyl)acetonitrile","(2,5-difluorophenyl)acetonitrile",Fc1ccc(F)c(CC#N)c1,Fc1ccc(F)c(CC#N)c1,"InChI=1/C8H5F2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2",C8H5F2N,,,,,,UIMMFRUOZOWROM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.300,274-053-5,69594-75-8,6-bromo-2-naphthyl ß-D-xylopyranoside,6-bromo-2-naphthyl beta-D-xylopyranoside,O[C@@H]1CO[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@H]1O,O[C@@H]1CO[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@H]1O,"InChI=1/C15H15BrO5/c16-10-3-1-9-6-11(4-2-8(9)5-10)21-15-14(19)13(18)12(17)7-20-15/h1-6,12-15,17-19H,7H2",C15H15BrO5,,,,,,WHFCYXMRDUCMTI-BARDWOONSA-N,,,,,,,,,,,
100.067.303,274-056-1,69617-84-1,4-(p-hydroxyphenyl)butan-2-ol,4-(3-hydroxybutyl)phenol,CC(O)CCc1ccc(O)cc1,CC(O)CCc1ccc(O)cc1,"InChI=1/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3",C10H14O2,,,,,,SFUCGABQOMYVJW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.436,276-402-7,72152-48-8,"Sodium 4-[(1-benzoyl-2,7-dihydro-4-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinolin-6-yl)amino]toluene-3-sulphonate","sodium 2-[(1-benzoyl-4-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methylbenzenesulfonate",[Na+].Cc1ccc(Nc2cc(C)c3NC(=O)C(=C4c5ccccc5C(=O)c2c34)C(=O)c6ccccc6)c(c1)S(=O)(=O)[O-],[Na+].Cc1ccc(Nc2cc(C)c3NC(=O)C(=C4c5ccccc5C(=O)c2c34)C(=O)c6ccccc6)c(c1)S(=O)(=O)[O-],"InChI=1/C31H22N2O6S.Na/c1-16-12-13-21(23(14-16)40(37,38)39)32-22-15-17(2)28-26-24(19-10-6-7-11-20(19)30(35)25(22)26)27(31(36)33-28)29(34)18-8-4-3-5-9-18;/h3-15,32H,1-2H3,(H,33,36)(H,37,38,39);/q;+1/p-1",C31H22N2O6S.Na,,,,,,PMPJHLRSBZONMN-UHFFFAOYSA-M,,,,,,,,,,,
100.069.443,276-410-0,72152-56-8,"Pentasodium 5-[[[7-[[5-[(3-carboxylato-4-hydroxyphenyl)azo]-2-sulphonatophenyl]azo]-8-hydroxy-3,6-disulphonato-1-naphthyl]amino]sulphonyl]salicylate","pentasodium 5-{[7-({5-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl}diazenyl)-8-hydroxy-3,6-disulfonato-1-naphthyl]sulfamoyl}-2-hydroxybenzoate",[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)S(=O)(=O)Nc5cc(cc4cc(c(N=Nc3cc(N=Nc2cc(C([O-])=O)c(O)cc2)ccc3S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)S(=O)(=O)Nc5cc(cc4cc(c(N=Nc3cc(N=Nc2cc(C([O-])=O)c(O)cc2)ccc3S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C30H21N5O18S4.5Na/c36-22-4-1-14(9-18(22)29(39)40)31-32-15-2-6-24(56(48,49)50)20(10-15)33-34-27-25(57(51,52)53)8-13-7-17(55(45,46)47)12-21(26(13)28(27)38)35-54(43,44)16-3-5-23(37)19(11-16)30(41)42;;;;;/h1-12,35-38H,(H,39,40)(H,41,42)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5",C30H21N5O18S4.5Na,,,,,,RUYWGLYLJFFNCR-UHFFFAOYSA-I,,,,,,,,,,,
100.068.676,275-567-2,71501-39-8,1-chloro-4-[[(2-chloroethyl)sulphonyl]methyl]benzene,1-chloro-4-{[(2-chloroethyl)sulfonyl]methyl}benzene,ClCCS(=O)(=O)Cc1ccc(Cl)cc1,ClCCS(=O)(=O)Cc1ccc(Cl)cc1,"InChI=1/C9H10Cl2O2S/c10-5-6-14(12,13)7-8-1-3-9(11)4-2-8/h1-4H,5-7H2",C9H10Cl2O2S,,,,,,VYKADJACAOZSEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.678,275-569-3,71501-41-2,Bis(2-chlorocyclopentyl) ketone,bis(2-chlorocyclopentyl)methanone,ClC1CCCC1C(=O)C2CCCC2Cl,ClC1CCCC1C(=O)C2CCCC2Cl,"InChI=1/C11H16Cl2O/c12-9-5-1-3-7(9)11(14)8-4-2-6-10(8)13/h7-10H,1-6H2",C11H16Cl2O,,,,,,XUHWMEBMZCGMMW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.685,275-577-7,71501-49-0,2-chloropyrimidinium chloride,2-chloropyrimidin-1-ium chloride,[Cl-].Clc1nccc[nH+]1,[Cl-].Clc1nccc[nH+]1,InChI=1/C4H3ClN2.ClH/c5-4-6-2-1-3-7-4;/h1-3H;1H,C4H3ClN2.xClH,,,,,,JEBKAQDPMGBQBP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.688,275-580-3,71501-52-5,Choline octanoate,"2-hydroxy-N,N,N-trimethylethanaminium octanoate",CCCCCCCC(=O)[O-].C[N+](C)(C)CCO,CCCCCCCC(=O)[O-].C[N+](C)(C)CCO,"InChI=1/C8H16O2.C5H14NO/c1-2-3-4-5-6-7-8(9)10;1-6(2,3)4-5-7/h2-7H2,1H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1",C8H15O2.C5H14NO,,,,,,CISGOUDPMXUJNS-UHFFFAOYSA-M,,,,,,,,,,,
100.068.696,275-589-2,71519-93-2,"Ethyl 3-[[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]amino]butyrate","ethyl 3-({5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}amino)butanoate",Brc2cc(cc(c2N=Nc1cc(OC)c(NC(C)CC(=O)OCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(NC(C)CC(=O)OCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H23BrN6O8/c1-5-36-20(30)6-11(2)23-17-9-15(24-12(3)29)16(10-19(17)35-4)25-26-21-14(22)7-13(27(31)32)8-18(21)28(33)34/h7-11,23H,5-6H2,1-4H3,(H,24,29)",C21H23BrN6O8,,,,,,MTGXPEMQXFZOQS-UHFFFAOYSA-N,,,,,,,,,,,
100.064.399,270-861-7,68479-59-4,"N-(6-amino-3,5,5-trimethylhexyl)-p-toluenesulphonamide","N-(6-amino-3,5,5-trimethylhexyl)-4-methylbenzenesulfonamide",CC(CCNS(=O)(=O)c1ccc(C)cc1)CC(C)(C)CN,CC(CCNS(=O)(=O)c1ccc(C)cc1)CC(C)(C)CN,"InChI=1/C16H28N2O2S/c1-13-5-7-15(8-6-13)21(19,20)18-10-9-14(2)11-16(3,4)12-17/h5-8,14,18H,9-12,17H2,1-4H3",C16H28N2O2S,,,,,,XSEOXXHTZJDHFY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.400,270-862-2,68479-60-7,4-[2-(trimethoxysilyl)ethyl]benzene-1-sulphonyl azide,4-[2-(trimethoxysilyl)ethyl]benzenesulfonyl azide,CO[Si](CCc1ccc(cc1)S(=O)(=O)N=[N+]=[N-])(OC)OC,CO[Si](CCc1ccc(cc1)S(=O)(=O)N=[N+]=[N-])(OC)OC,"InChI=1/C11H17N3O5SSi/c1-17-21(18-2,19-3)9-8-10-4-6-11(7-5-10)20(15,16)14-13-12/h4-7H,8-9H2,1-3H3",C11H17N3O5SSi,,,,,,NXBOTJRZWNVHBE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.401,270-863-8,68479-61-8,5-methyl-2-(1-methylethyl)cyclohexyl [3-(triethoxysilyl)propyl]carbamate,2-isopropyl-5-methylcyclohexyl [3-(triethoxysilyl)propyl]carbamate,CCO[Si](CCCNC(=O)OC1CC(C)CCC1C(C)C)(OCC)OCC,CCO[Si](CCCNC(=O)OC1CC(C)CCC1C(C)C)(OCC)OCC,"InChI=1/C20H41NO5Si/c1-7-23-27(24-8-2,25-9-3)14-10-13-21-20(22)26-19-15-17(6)11-12-18(19)16(4)5/h16-19H,7-15H2,1-6H3,(H,21,22)",C20H41NO5Si,,,,,,RZTQENQVQRHAHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.408,270-871-1,68479-77-6,"2-hydroxyethyl 2,3-dibromopropionate","2-hydroxyethyl 2,3-dibromopropanoate",OCCOC(=O)C(Br)CBr,OCCOC(=O)C(Br)CBr,"InChI=1/C5H8Br2O3/c6-3-4(7)5(9)10-2-1-8/h4,8H,1-3H2",C5H8Br2O3,,,,,,FODLZNVVRJLINF-UHFFFAOYSA-N,,,,,,,,,,,
100.064.409,270-872-7,68479-78-7,Trisodium hydrogen [(dimethylamino)methylene]bisphosphonate,trisodium hydrogen [(dimethylamino)methylene]bis(phosphonate),[Na+].[Na+].[Na+].CN(C)C(P(=O)([O-])[O-])P(=O)([O-])[O-],[Na+].[Na+].[Na+].CN(C)C(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C3H11NO6P2.3Na/c1-4(2)3(11(5,6)7)12(8,9)10;;;/h3H,1-2H3,(H2,5,6,7)(H2,8,9,10);;;/q;3*+1/p-4",C3H11NO6P2.3Na,,,,,,HHTSLGHGTSIAJZ-UHFFFAOYSA-J,,,,,,,,,,,
100.064.419,270-883-7,68480-07-9,"2-(2,2-dimethoxyethoxy)naphthalene","2-(2,2-dimethoxyethoxy)naphthalene",COC(COc1ccc2ccccc2c1)OC,COC(COc1ccc2ccccc2c1)OC,"InChI=1/C14H16O3/c1-15-14(16-2)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10H2,1-2H3",C14H16O3,,,,,,CFMNTNDYLXCBPP-UHFFFAOYSA-N,,,,,,,,,,,
100.066.158,272-794-9,68911-96-6,4-(diethylamino)-3-methylbenzenediazonium hexafluorophosphate,4-(diethylamino)-3-methylbenzenediazonium hexafluorophosphate,CCN(CC)c1ccc(cc1C)[N+]#N.F[P-](F)(F)(F)(F)F,CCN(CC)c1ccc(cc1C)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C11H16N3.F6P/c1-4-14(5-2)11-7-6-10(13-12)8-9(11)3;1-7(2,3,4,5)6/h6-8H,4-5H2,1-3H3;/q+1;-1",C11H16N3.F6P,,,,,,FTFODHLBKKUHTH-UHFFFAOYSA-N,,,,,,,,,,,
100.066.159,272-795-4,68911-98-8,N-(2-ethylphenyl)-3-hydroxynaphthalene-2-carboxamide,N-(2-ethylphenyl)-3-hydroxy-2-naphthamide,CCc1ccccc1NC(=O)c2cc3ccccc3cc2O,CCc1ccccc1NC(=O)c2cc3ccccc3cc2O,"InChI=1/C19H17NO2/c1-2-13-7-5-6-10-17(13)20-19(22)16-11-14-8-3-4-9-15(14)12-18(16)21/h3-12,21H,2H2,1H3,(H,20,22)",C19H17NO2,,,,,,SVJPZKBLNJTZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.954,274-772-4,70693-56-0,Ethoxyvinylsilane,ethoxy(vinyl)silane,CCO[SiH2]C=C,CCO[SiH2]C=C,"InChI=1/C4H10OSi/c1-3-5-6-4-2/h4H,2-3,6H2,1H3",C8H14OSi,,,,,,YTUPSNLWAAEFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.962,274-781-3,70697-72-2,Isopropyl 2-chloroacetoacetate,isopropyl 4-chloro-3-oxobutanoate,CC(C)OC(=O)CC(=O)CCl,CC(C)OC(=O)CC(=O)CCl,"InChI=1/C7H11ClO3/c1-5(2)11-7(10)3-6(9)4-8/h5H,3-4H2,1-2H3",C7H11ClO3,,,,,,GSNGPDOWIOPXDR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.367,275-226-8,71172-17-3,"Isophthalic acid, compound with dimethylamine (1:1)",isophthalic acid - N-methylmethanamine (1:1),CNC.OC(=O)c1cccc(c1)C(=O)O,CNC.OC(=O)c1cccc(c1)C(=O)O,"InChI=1/C8H6O4.C2H7N/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-2/h1-4H,(H,9,10)(H,11,12);3H,1-2H3",C8H6O4.C2H7N,,,,,,PSXFWDBXOBHGSA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.369,275-228-9,71172-35-5,"N-phenyl-4-(2,4,4-trimethylpentyl)aniline","N-phenyl-4-(2,4,4-trimethylpentyl)aniline",CC(Cc1ccc(Nc2ccccc2)cc1)CC(C)(C)C,CC(Cc1ccc(Nc2ccccc2)cc1)CC(C)(C)C,"InChI=1/C20H27N/c1-16(15-20(2,3)4)14-17-10-12-19(13-11-17)21-18-8-6-5-7-9-18/h5-13,16,21H,14-15H2,1-4H3",C20H27N,,,,,,IKRMSWSIFIESRP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.370,275-229-4,71172-39-9,<U+03B3>-ethoxybenzenebutyronitrile,4-ethoxy-4-phenylbutanenitrile,CCOC(CCC#N)c1ccccc1,CCOC(CCC#N)c1ccccc1,"InChI=1/C12H15NO/c1-2-14-12(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9H2,1H3",C12H15NO,,,,,,IUTOHCPJTMZSKI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.379,269-739-6,68310-85-0,cis-N-(cyclohexylthio)hexahydrophthalimide,"2-(cyclohexylsulfanyl)hexahydro-1H-isoindole-1,3(2H)-dione",O=C1[C@@H]2CCCC[C@@H]2C(=O)N1SC3CCCCC3,O=C1[C@@H]2CCCC[C@@H]2C(=O)N1SC3CCCCC3,"InChI=1/C14H21NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h10-12H,1-9H2",C14H21NO2S,,,,,,YFQKGNTXACFMOY-TXEJJXNPSA-N,,,,,,,,,,,
100.072.450,279-718-3,81286-11-5,"a-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-1,4-dihydro-4-oxoquinazoline-2-acetonitrile","[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl](4-oxo-1,4-dihydroquinazolin-2-yl)acetonitrile",O=C4c3cccc(N=NC(C#N)C=2Nc1ccccc1C(=O)N=2)c3C(=O)c5ccccc45,O=C4c3cccc(N=NC(C#N)C=2Nc1ccccc1C(=O)N=2)c3C(=O)c5ccccc45,"InChI=1/C24H13N5O3/c25-12-19(23-26-17-10-4-3-8-15(17)24(32)27-23)29-28-18-11-5-9-16-20(18)22(31)14-7-2-1-6-13(14)21(16)30/h1-11,19H,(H,26,27,32)",C24H13N5O3,,,,,,QWKKQITZTXXUCK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.472,279-742-4,81349-58-8,"2,2'-[oxybis(ethane-2,1-diyloxy)]bispropane","2,2'-[oxybis(ethane-2,1-diyloxy)]dipropane",CC(C)OCCOCCOC(C)C,CC(C)OCCOCCOC(C)C,"InChI=1/C10H22O3/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-10H,5-8H2,1-4H3",C10H22O3,,,,,,JHOOWURXQGAXHL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.481,279-752-9,81406-37-3,"1-methylheptyl [(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate","1-methylheptyl [(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate",CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl,CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl,"InChI=1/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)",C15H21Cl2FN2O3,,,,,,OLZQTUCTGLHFTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.484,279-756-0,81417-94-9,"4-amino-3,6-bis[[5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-3,6-bis{[5-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8cc(N=Nc7c(cc6cc(c(N=Nc5cc(Nc4nc(Nc3cccc(c3)S(O)(=O)=O)nc(Cl)n4)ccc5S(O)(=O)=O)c(O)c6c7N)S(O)(=O)=O)S(O)(=O)=O)c(cc8)S(O)(=O)=O,OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8cc(N=Nc7c(cc6cc(c(N=Nc5cc(Nc4nc(Nc3cccc(c3)S(O)(=O)=O)nc(Cl)n4)ccc5S(O)(=O)=O)c(O)c6c7N)S(O)(=O)=O)S(O)(=O)=O)c(cc8)S(O)(=O)=O,"InChI=1/C40H29Cl2N15O19S6/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-26(79(65,66)67)24(15-20)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-16-21(8-10-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53)",C40H29Cl2N15O19S6,,,,,,KIZSBUXZSFRTCV-UHFFFAOYSA-N,,,,,,,,,,,
100.070.006,277-030-8,72927-89-0,"3,4,4a,5,6,7-hexahydro-3,3,5,5-tetramethylnaphthalene-2(1H)-one","3,3,5,5-tetramethyl-3,4,4a,5,6,7-hexahydronaphthalen-2(1H)-one",CC1(C)CCC=C2CC(=O)C(C)(C)CC12,CC1(C)CCC=C2CC(=O)C(C)(C)CC12,"InChI=1/C14H22O/c1-13(2)7-5-6-10-8-12(15)14(3,4)9-11(10)13/h6,11H,5,7-9H2,1-4H3",C14H22O,,,,,,MNMIFQQWGUTOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.012,277-037-6,72927-96-9,"Lithium 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]anthracene-2-sulphonate","lithium 1-amino-4-(mesitylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Li+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1,[Li+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1,"InChI=1/C23H20N2O5S.Li/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27;/h4-10,25H,24H2,1-3H3,(H,28,29,30);/q;+1/p-1",C23H20N2O5S.Li,,,,,,KWYNCJRHNWRKGG-UHFFFAOYSA-M,,,,,,,,,,,
100.070.016,277-041-8,72928-00-8,"2,4,8-trimethyl-4,9-decadienal","2,4,8-trimethyldeca-4,9-dienal",C=CC(C)CCC=C(C)CC(C)C=O,C=CC(C)CCC=C(C)CC(C)C=O,"InChI=1/C13H22O/c1-5-11(2)7-6-8-12(3)9-13(4)10-14/h5,8,10-11,13H,1,6-7,9H2,2-4H3",C13H22O,,,,,,ZFSXPBRJVFBKHU-UHFFFAOYSA-N,,,,,,,,,,,
100.070.020,277-046-5,72928-04-2,4-[3-(1-ethoxyethoxy)-1-methylenepropyl]-1-methylcyclohexene,4-[3-(1-ethoxyethoxy)-1-methylenepropyl]-1-methylcyclohexene,CCOC(C)OCCC(=C)C1CCC(=CC1)C,CCOC(C)OCCC(=C)C1CCC(=CC1)C,"InChI=1/C15H26O2/c1-5-16-14(4)17-11-10-13(3)15-8-6-12(2)7-9-15/h6,14-15H,3,5,7-11H2,1-2,4H3",C15H26O2,,,,,,NCYWZQBBJWLPIM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.783,275-684-9,71607-43-7,"5-(1-methylheptyl)-2,4-dinitrophenyl 2-butenoate","5-(1-methylheptyl)-2,4-dinitrophenyl but-2-enoate",O=C(Oc1cc(c(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)CCCCCC)C=CC,O=C(Oc1cc(c(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)CCCCCC)C=CC,"InChI=1/C18H24N2O6/c1-4-6-7-8-10-13(3)14-11-17(26-18(21)9-5-2)16(20(24)25)12-15(14)19(22)23/h5,9,11-13H,4,6-8,10H2,1-3H3",C18H24N2O6,,,,,,UNIFEYJRGZNGBP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.792,275-694-3,71607-53-9,Cinnamyl salicylate,3-phenylprop-2-en-1-yl salicylate,Oc1ccccc1C(=O)OC\\C=C\\c2ccccc2,Oc1ccccc1C(=O)OC\C=C\c2ccccc2,"InChI=1/C16H14O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12H2",C16H14O3,,,,,,BQLBAKUNQYHLCM-RMKNXTFCSA-N,,,,,,,,,,,
100.068.800,275-704-6,71617-12-4,"1,5-dimethyl-1-vinylhex-4-enyl 3-phenylpropionate","1,5-dimethyl-1-vinylhex-4-en-1-yl 3-phenylpropanoate",CC(=CCCC(C)(OC(=O)CCc1ccccc1)C=C)C,CC(=CCCC(C)(OC(=O)CCc1ccccc1)C=C)C,"InChI=1/C19H26O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-12H,1,9,13-15H2,2-4H3",C19H26O2,,,,,,RBQBQDDJTGLLOK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.801,275-705-1,71617-13-5,1-[2-methyl-5-(1-methylethyl)cyclohexyl]propan-1-one,1-(5-isopropyl-2-methylcyclohexyl)propan-1-one,CCC(=O)C1CC(CCC1C)C(C)C,CCC(=O)C1CC(CCC1C)C(C)C,"InChI=1/C13H24O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h9-12H,5-8H2,1-4H3",C13H24O,,,,,,WRFTWUYODLYHDR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.802,275-706-7,71617-14-6,2-(isopropyl)-5-methylcyclohexyl benzoate,2-isopropyl-5-methylcyclohexyl benzoate,CC(C)C1CCC(C)CC1OC(=O)c2ccccc2,CC(C)C1CCC(C)CC1OC(=O)c2ccccc2,"InChI=1/C17H24O2/c1-12(2)15-10-9-13(3)11-16(15)19-17(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3",C17H24O2,,,,,,TTYVYRHNIVBWCB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.803,275-707-2,71617-15-7,"a,a,4-trimethylphenethyl acetate","1,1-dimethyl-2-(4-methylphenyl)ethyl acetate",CC(=O)OC(C)(C)Cc1ccc(C)cc1,CC(=O)OC(C)(C)Cc1ccc(C)cc1,"InChI=1/C13H18O2/c1-10-5-7-12(8-6-10)9-13(3,4)15-11(2)14/h5-8H,9H2,1-4H3",C13H18O2,,,,,,ZZRMFTYRQORIEE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.164,270-602-8,68457-68-1,"2-Pentanol, 4-methyl-, phosphate","1,3-dimethylbutyl phosphate",CC(C)CC(C)OP(=O)([O-])[O-],CC(C)CC(C)OP(=O)([O-])[O-],"InChI=1/C6H15O4P/c1-5(2)4-6(3)10-11(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9)/p-2",-,,,,,,OYKHBMFBSZKYLC-UHFFFAOYSA-L,,,,,,,,,,,
100.064.183,270-623-2,68459-99-4,"4-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one","4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one",C\\C1=C\\CCC(C)(C)C1C=CC(=O)C(C)C,C\C1=C\CCC(C)(C)C1C=CC(=O)C(C)C,"InChI=1/C15H24O/c1-11(2)14(16)9-8-13-12(3)7-6-10-15(13,4)5/h7-9,11,13H,6,10H2,1-5H3",C15H24O,,,,,,BFKQQVWLWQKHFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.184,270-624-8,68460-01-5,"4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-one 1,1-dioxide","4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-one 1,1-dioxide",Brc1c(Br)c(Br)c2c(C(=O)OS2(=O)=O)c1Br,Brc1c(Br)c(Br)c2c(C(=O)OS2(=O)=O)c1Br,"InChI=1/C7Br4O4S/c8-2-1-6(5(11)4(10)3(2)9)16(13,14)15-7(1)12",C7Br4O4S,,,,,,QPGYGIVRJIICGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.189,270-630-0,68460-08-2,"Tetrasodium 5,5'-(carbonyldiimino)bis[8-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate]",tetrasodium 8-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-5-({[6-sulfonato-4-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-1-naphthyl]carbamoyl}amino)naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc8ccc(NC(=O)Nc6ccc(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4)c5cc(ccc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc8ccc(NC(=O)Nc6ccc(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4)c5cc(ccc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O,"InChI=1/C45H32N10O13S4.4Na/c56-45(46-41-21-23-43(39-25-35(71(63,64)65)17-19-37(39)41)54-52-29-5-1-27(2-6-29)48-50-31-9-13-33(14-10-31)69(57,58)59)47-42-22-24-44(40-26-36(72(66,67)68)18-20-38(40)42)55-53-30-7-3-28(4-8-30)49-51-32-11-15-34(16-12-32)70(60,61)62;;;;/h1-26H,(H2,46,47,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C45H32N10O13S4.4Na,,,,,,OMHXXQIOICGWIK-UHFFFAOYSA-J,,,,,,,,,,,
100.065.954,272-571-6,68882-56-4,"2,4-dimethyloctane-1,8-diyl diisocyanate","1,8-diisocyanato-2,4-dimethyloctane",CC(CCCCN=C=O)CC(C)CN=C=O,CC(CCCCN=C=O)CC(C)CN=C=O,"InChI=1/C12H20N2O2/c1-11(5-3-4-6-13-9-15)7-12(2)8-14-10-16/h11-12H,3-8H2,1-2H3",C12H20N2O2,,,,,,ULJDCHKHOJHGBW-UHFFFAOYSA-N,,,,,,,,,,,
100.065.973,272-592-0,68892-04-6,5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonic acid,5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonic acid,OS(=O)(=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2[N+](=O)[O-],OS(=O)(=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2[N+](=O)[O-],"InChI=1/C12H7Cl2NO6S/c13-7-1-3-10(9(5-7)15(16)17)21-11-4-2-8(14)6-12(11)22(18,19)20/h1-6H,(H,18,19,20)",C12H7Cl2NO6S,,,,,,DKAGODCVNALFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.444,276-411-6,72152-58-0,"Trisodium 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)diazenyl]-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4N=NC3C(\\C)=N/N(c2ccccc2)C3=O)S([O-])(=O)=O)c(O)c(c5)[N+]([O-])=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4N=NC3C(\C)=N/N(c2ccccc2)C3=O)S([O-])(=O)=O)c(O)c(c5)[N+]([O-])=O,"InChI=1/C26H19N7O14S3.3Na/c1-12-22(26(36)32(31-12)14-5-3-2-4-6-14)29-27-17-9-15(48(39,40)41)7-13-8-20(50(45,46)47)23(25(35)21(13)17)30-28-18-10-16(49(42,43)44)11-19(24(18)34)33(37)38;;;/h2-11,22,34-35H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C26H19N7O14S3.3Na,,,,,,YGJDZUMJNJRZBB-UHFFFAOYSA-K,,,,,,,,,,,
100.069.451,276-418-4,72152-66-0,"5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulphobenzothiazol-2-yl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid","5-[(2,4-dihydroxy-5-{[4-(6-methyl-4-sulfo-1,3-benzothiazol-2-yl)phenyl]diazenyl}phenyl)diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",[O-][N+](=O)c1ccc(cc1)N=Nc2c(O)c7c(cc2S(O)(=O)=O)cc(cc7N=Nc6cc(N=Nc3ccc(cc3)c4nc5c(cc(C)cc5s4)S(O)(=O)=O)c(O)cc6O)S(O)(=O)=O,[O-][N+](=O)c1ccc(cc1)N=Nc2c(O)c7c(cc2S(O)(=O)=O)cc(cc7N=Nc6cc(N=Nc3ccc(cc3)c4nc5c(cc(C)cc5s4)S(O)(=O)=O)c(O)cc6O)S(O)(=O)=O,"InChI=1/C36H24N8O14S4/c1-17-10-29-33(30(11-17)61(53,54)55)37-36(59-29)18-2-4-20(5-3-18)38-40-24-15-25(28(46)16-27(24)45)41-42-26-14-23(60(50,51)52)12-19-13-31(62(56,57)58)34(35(47)32(19)26)43-39-21-6-8-22(9-7-21)44(48)49/h2-16,45-47H,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)",C36H24N8O14S4,,,,,,HKOAIEWUIIILPI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.457,276-425-2,72156-54-8,"Lactic acid, compound with N-[3-(amidinoamino)propyl]-N-dodecylguanidine (1:1)",2-hydroxypropanoic acid - 1-(3-carbamimidamidopropyl)-1-dodecylguanidine (1:1) (non-preferred name),CCCCCCCCCCCCN(CCCNC(=N)N)C(=N)N.CC(O)C(=O)O,CCCCCCCCCCCCN(CCCNC(=N)N)C(=N)N.CC(O)C(=O)O,"InChI=1/C17H38N6.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-14-23(17(20)21)15-12-13-22-16(18)19;1-2(4)3(5)6/h2-15H2,1H3,(H3,20,21)(H4,18,19,22);2,4H,1H3,(H,5,6)",C17H38N6.C3H6O3,,,,,,KZYDVKCLOFRAAK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.466,276-435-7,72175-18-9,"6-[(2-[1,1'-biphenyl]-4-yl-6,11-dihydro-6,11-dioxonaphtho[2,3-g]quinazolin-4-yl)amino]naphth[2,3-c]acridine-5,8,14(13H)-trione","6-[(2-biphenyl-4-yl-6,11-dioxo-6,11-dihydronaphtho[2,3-g]quinazolin-4-yl)amino]naphtho[2,3-c]acridine-5,8,14(13H)-trione",O=C1c2ccccc2Nc3c1cc(Nc4nc(nc5cc6C(=O)c7ccccc7C(=O)c6cc45)c8ccc(cc8)c9ccccc9)c%10C(=O)c%11ccccc%11C(=O)c3%10,O=C1c2ccccc2Nc3c1cc(Nc4nc(nc5cc6C(=O)c7ccccc7C(=O)c6cc45)c8ccc(cc8)c9ccccc9)c%10C(=O)c%11ccccc%11C(=O)c3%10,"InChI=1/C49H26N4O5/c54-43-28-12-4-5-13-29(28)44(55)34-23-38-35(22-33(34)43)49(53-48(51-38)27-20-18-26(19-21-27)25-10-2-1-3-11-25)52-39-24-36-42(50-37-17-9-8-16-32(37)45(36)56)41-40(39)46(57)30-14-6-7-15-31(30)47(41)58/h1-24H,(H,50,56)(H,51,52,53)",C49H26N4O5,,,,,,FBEWHMXYGYWSOC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.976,270-394-9,68427-36-1,"4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-3H-pyrazol-3-one","4,4'-methylylidenebis(5-methyl-2,4-dihydro-3H-pyrazol-3-one)",O=C2N\\N=C(\\C)C2C=C1C(=O)N\\N=C1\\C,O=C2N\N=C(\C)C2C=C1C(=O)N\N=C1\C,"InChI=1/C9H10N4O2/c1-4-6(8(14)12-10-4)3-7-5(2)11-13-9(7)15/h3,6H,1-2H3,(H,12,14)(H,13,15)",C9H10N4O2,,,,,,KFJWIWSFLYGDFY-UHFFFAOYSA-N,,,,,,,,,,,
100.065.502,272-073-9,68683-36-3,"2-(hydroxymethyl)butane-1,3-diol, sodium salt",-,[Na+].CC(O)C(CO)CO,[Na+].CC(O)C(CO)CO,"InChI=1/C5H12O3.Na/c1-4(8)5(2-6)3-7;/h4-8H,2-3H2,1H3;/q;+1",C5H12O3.xNa,,,,,,MPCAGTVSDQKSDU-UHFFFAOYSA-N,,,,,,,,,,,
100.065.504,272-076-5,68683-38-5,"Dihydro-3-(4,6,8-trimethyl-2-nonenyl)furan-2,5-dione","3-(4,6,8-trimethylnon-2-en-1-yl)dihydrofuran-2,5-dione",O=C1OC(=O)CC1CC=CC(C)CC(C)CC(C)C,O=C1OC(=O)CC1CC=CC(C)CC(C)CC(C)C,"InChI=1/C16H26O3/c1-11(2)8-13(4)9-12(3)6-5-7-14-10-15(17)19-16(14)18/h5-6,11-14H,7-10H2,1-4H3",C16H26O3,,,,,,XOUXWTUUVBTGSO-UHFFFAOYSA-N,,,,,,,,,,,
100.065.512,272-084-9,68697-61-0,Methyl DL-tyrosinate hydrochloride,methyl L-tyrosinate hydrochloride,Cl.COC(=O)[C@@H](N)Cc1ccc(O)cc1,Cl.COC(=O)[C@@H](N)Cc1ccc(O)cc1,"InChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H",C10H13NO3.ClH,,,,,,VXYFARNRGZWHTJ-FVGYRXGTSA-N,,,,,,,,,,,
100.065.514,272-087-5,68698-58-8,(Z)-3-hexenyl oct-2-ynoate,hex-3-en-1-yl oct-2-ynoate,CCCCCC#CC(=O)OCC\\C=C/CC,CCCCCC#CC(=O)OCC\C=C/CC,"InChI=1/C14H22O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9,11,13H2,1-2H3",C14H22O2,,,,,,ANJQMBWSXVCLTG-VURMDHGXSA-N,,,,,,,,,,,
100.065.523,272-096-4,68698-85-1,"2-heptadec-8-enyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazole phosphate","2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol phosphate (salt)",OCCN1CC\\N=C1\\CCCCCCCC=CCCCCCCCC.OP(O)(=O)O,OCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC.OP(O)(=O)O,"InChI=1/C22H42N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-5(2,3)4/h9-10,25H,2-8,11-21H2,1H3;(H3,1,2,3,4)",C22H42N2O.xH3O4P,,,,,,VRPYWVXUPSOIOT-UHFFFAOYSA-N,,,,,,,,,,,
100.065.524,272-098-5,68703-78-6,"2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-chlorophenyl)-3-oxobutyramide]","2,2'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-chlorophenyl)-3-oxobutanamide]",Clc4ccccc4NC(=O)C(N=Nc1ccc(cc1OC)c3ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2Cl)c(OC)c3)C(C)=O,Clc4ccccc4NC(=O)C(N=Nc1ccc(cc1OC)c3ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2Cl)c(OC)c3)C(C)=O,"InChI=1/C34H30Cl2N6O6/c1-19(43)31(33(45)37-25-11-7-5-9-23(25)35)41-39-27-15-13-21(17-29(27)47-3)22-14-16-28(30(18-22)48-4)40-42-32(20(2)44)34(46)38-26-12-8-6-10-24(26)36/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)",C34H30Cl2N6O6,,,,,,JDEPQIDGFSCDMA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.968,274-788-1,70703-47-8,2-methoxyethyl 12-(acetoxy)octadecanoate,2-methoxyethyl 12-acetoxyoctadecanoate,CCCCCCC(CCCCCCCCCCC(=O)OCCOC)OC(=O)C,CCCCCCC(CCCCCCCCCCC(=O)OCCOC)OC(=O)C,"InChI=1/C23H44O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h22H,4-20H2,1-3H3",C23H44O5,,,,,,QVEPPTMINGAUIA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.978,274-799-1,70714-67-9,6-(chlorosulphonyl)-2-hydroxy-1-naphthoic acid,6-(chlorosulfonyl)-2-hydroxy-1-naphthoic acid,OC(=O)c1c(O)ccc2cc(ccc12)S(=O)(=O)Cl,OC(=O)c1c(O)ccc2cc(ccc12)S(=O)(=O)Cl,"InChI=1/C11H7ClO5S/c12-18(16,17)7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5,13H,(H,14,15)",C11H7ClO5S,,,,,,YTGWIRDQNSSAJX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.981,274-802-6,70714-71-5,"Sodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulphonate","sodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulfonate",[Na+].Oc1cc(cc2cc(Nc3nc(F)nc(F)c3Cl)ccc12)S(=O)(=O)[O-],[Na+].Oc1cc(cc2cc(Nc3nc(F)nc(F)c3Cl)ccc12)S(=O)(=O)[O-],"InChI=1/C14H8ClF2N3O4S.Na/c15-11-12(16)19-14(17)20-13(11)18-7-1-2-9-6(3-7)4-8(5-10(9)21)25(22,23)24;/h1-5,21H,(H,18,19,20)(H,22,23,24);/q;+1/p-1",C14H8ClF2N3O4S.Na,,,,,,WAWGVMJAKPOFRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.067.982,274-803-1,70714-74-8,"Bis(1,1-dimethyl-2-phenylethyl) oxalate","bis(1,1-dimethyl-2-phenylethyl) oxalate",CC(C)(Cc1ccccc1)OC(=O)C(=O)OC(C)(C)Cc2ccccc2,CC(C)(Cc1ccccc1)OC(=O)C(=O)OC(C)(C)Cc2ccccc2,"InChI=1/C22H26O4/c1-21(2,15-17-11-7-5-8-12-17)25-19(23)20(24)26-22(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3",C22H26O4,,,,,,JNQGUZHCDNTTRD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.984,274-805-2,70714-77-1,N-(1-oxoallyl)aspartic acid,N-acryloylaspartic acid,OC(=O)CC(NC(=O)C=C)C(=O)O,OC(=O)CC(NC(=O)C=C)C(=O)O,"InChI=1/C7H9NO5/c1-2-5(9)8-4(7(12)13)3-6(10)11/h2,4H,1,3H2,(H,8,9)(H,10,11)(H,12,13)",C7H9NO5,,,,,,UILJLCFPJOIGLP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.986,274-807-3,70714-82-8,"2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl]-1-ethyl-3,3-dimethyl-5-(phenylsulphonyl)-3H-indolium toluene-p-sulphonate","1-ethyl-3,3-dimethyl-2-[2-(2-methyl-5-oxo-3-phenyl-2,5-dihydroisoxazol-4-yl)vinyl]-5-(phenylsulfonyl)-3H-indolium 4-methylbenzenesulfonate",CC[N+]1=C(\\C=C\\C2=C(N(C)OC2=O)c3ccccc3)C(C)(C)c4cc(ccc14)S(=O)(=O)c5ccccc5.Cc6ccc(cc6)S(=O)(=O)[O-],CC[N+]1=C(\C=C\C2=C(N(C)OC2=O)c3ccccc3)C(C)(C)c4cc(ccc14)S(=O)(=O)c5ccccc5.Cc6ccc(cc6)S(=O)(=O)[O-],"InChI=1/C30H29N2O4S.C7H8O3S/c1-5-32-26-18-16-23(37(34,35)22-14-10-7-11-15-22)20-25(26)30(2,3)27(32)19-17-24-28(31(4)36-29(24)33)21-12-8-6-9-13-21;1-6-2-4-7(5-3-6)11(8,9)10/h6-20H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C30H29N2O4S.C7H7O3S,,,,,,CQFDBBTZXKBNIX-UHFFFAOYSA-M,,,,,,,,,,,
100.068.704,275-598-1,71526-84-6,"4-chloro-2',5'-dimethylbutyrophenone","4-chloro-1-(2,5-dimethylphenyl)butan-1-one",Cc1ccc(C)c(c1)C(=O)CCCCl,Cc1ccc(C)c(c1)C(=O)CCCCl,"InChI=1/C12H15ClO/c1-9-5-6-10(2)11(8-9)12(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3",C12H15ClO,,,,,,RLXPXHOSBRQERJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.705,275-599-7,71532-23-5,2-(hex-5-enyl)pyridine,2-hex-5-en-1-ylpyridine,C=CCCCCc1ccccn1,C=CCCCCc1ccccn1,"InChI=1/C11H15N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h2,6-7,9-10H,1,3-5,8H2",C11H15N,,,,,,ZYORITKNDAIZAN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.710,275-604-2,71550-24-8,[2-[[2-cyano-3-[4-[ethylbenzylamino]phenyl]-1-oxoallyl]oxy]ethyl]trimethylammonium chloride,"2-[(3-{4-[benzyl(ethyl)amino]phenyl}-2-cyanoacryloyl)oxy]-N,N,N-trimethylethanaminium chloride",[Cl-].CCN(Cc1ccccc1)c2ccc(\\C=C(/C#N)\\C(=O)OCC[N+](C)(C)C)cc2,[Cl-].CCN(Cc1ccccc1)c2ccc(\C=C(/C#N)\C(=O)OCC[N+](C)(C)C)cc2,"InChI=1/C24H30N3O2.ClH/c1-5-26(19-21-9-7-6-8-10-21)23-13-11-20(12-14-23)17-22(18-25)24(28)29-16-15-27(2,3)4;/h6-14,17H,5,15-16,19H2,1-4H3;1H/q+1;/p-1",C24H30N3O2.Cl,,,,,,GTKFSJLRKKMBFK-GDHRODDYSA-M,,,,,,,,,,,
100.068.713,275-607-9,71550-34-0,"5,10-dihydro-5,10-dioxoanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl bisheptanoate","5,10-dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl diheptanoate",CCCCCCC(=O)Oc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(OC(=O)CCCCCC)c(c1c5c24)c6c79,CCCCCCC(=O)Oc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(OC(=O)CCCCCC)c(c1c5c24)c6c79,"InChI=1/C48H40O6/c1-3-5-7-9-19-39(49)53-37-25-35-27-15-11-13-17-31(27)47(51)33-23-21-29-30-22-24-34-42-36(28-16-12-14-18-32(28)48(34)52)26-38(54-40(50)20-10-8-6-4-2)46(44(30)42)45(37)43(29)41(33)35/h11-18,21-26H,3-10,19-20H2,1-2H3",C48H40O6,,,,,,DPTMQBNDOLAEOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.714,275-608-4,71550-41-9,"a,a',a'',a''',2,4,6,8-octamethylcyclotetrasiloxane-2,4,6,8-tetrabutyronitrile","4,4',4'',4'''-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane-2,4,6,8-tetrayl)tetrakis(2-methylbutanenitrile)",CC(CC[Si]1(C)O[Si](C)(CCC(C)C#N)O[Si](C)(CCC(C)C#N)O[Si](C)(CCC(C)C#N)O1)C#N,CC(CC[Si]1(C)O[Si](C)(CCC(C)C#N)O[Si](C)(CCC(C)C#N)O[Si](C)(CCC(C)C#N)O1)C#N,"InChI=1/C24H44N4O4Si4/c1-21(17-25)9-13-33(5)29-34(6,14-10-22(2)18-26)31-36(8,16-12-24(4)20-28)32-35(7,30-33)15-11-23(3)19-27/h21-24H,9-16H2,1-8H3",C24H44N4O4Si4,,,,,,VSFRQRKVZMPEKM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.722,275-617-3,71555-10-7,L-lysine (S)-maleate,L-lysine but-2-enedioate,NCCCC[C@H](N)C(=O)O.OC(=O)\\C=C/C(=O)O,NCCCC[C@H](N)C(=O)O.OC(=O)\C=C/C(=O)O,"InChI=1/C6H14N2O2.C4H4O4/c7-4-2-1-3-5(8)6(9)10;5-3(6)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);1-2H,(H,5,6)(H,7,8)",C6H14N2O2.C4H6O5,,,,,,GEFOKWRLTMRWKN-YYHDXQEUSA-N,,,,,,,,,,,
100.063.382,269-742-2,68310-88-3,"Benzoic acid, compound with 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine (1:1)","4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline benzoate",Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3.OC(=O)c4ccccc4,Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3.OC(=O)c4ccccc4,"InChI=1/C20H19N3.C7H6O2/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;8-7(9)6-4-2-1-3-5-6/h2-12,21H,22-23H2,1H3;1-5H,(H,8,9)",C20H19N3.C7H6O2,,,,,,ZOTHQGXDNAVWGD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.383,269-743-8,68310-89-4,"2-[4-(dimethylamino)phenyl]-3,6-dimethylbenzothiazolium benzoate","2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium benzoate",CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C.[O-]C(=O)c4ccccc4,CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C.[O-]C(=O)c4ccccc4,"InChI=1/C17H19N2S.C7H6O2/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;8-7(9)6-4-2-1-3-5-6/h5-11H,1-4H3;1-5H,(H,8,9)/q+1;/p-1",C17H19N2S.C7H5O2,,,,,,YLNRZMQISIVORD-UHFFFAOYSA-M,,,,,,,,,,,
100.072.490,279-762-3,81430-40-2,"Pentasodium 3-[[4-[[4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonato-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate","pentasodium 3-[(4-{[4-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-5-sulfonato-1-naphthyl]diazenyl}-6-sulfonato-1-naphthyl)diazenyl]naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc7ccc(N=Nc5ccc(Nc3nc(Nc2cccc(c2)S(=O)(=O)CCOS([O-])(=O)=O)nc(Cl)n3)c4c(cccc45)S([O-])(=O)=O)c6cc(ccc67)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc7ccc(N=Nc5ccc(Nc3nc(Nc2cccc(c2)S(=O)(=O)CCOS([O-])(=O)=O)nc(Cl)n3)c4c(cccc45)S([O-])(=O)=O)c6cc(ccc67)S([O-])(=O)=O,"InChI=1/C41H30ClN9O18S6.5Na/c42-39-45-40(43-22-4-1-5-24(18-22)70(52,53)17-16-69-75(66,67)68)47-41(46-39)44-34-15-14-32(28-7-3-9-36(38(28)34)73(60,61)62)50-51-33-13-12-31(26-11-10-25(21-29(26)33)71(54,55)56)49-48-23-19-30-27(37(20-23)74(63,64)65)6-2-8-35(30)72(57,58)59;;;;;/h1-15,18-21H,16-17H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,43,44,45,46,47);;;;;/q;5*+1/p-5",C41H30ClN9O18S6.5Na,,,,,,WTCMKSCWAMXJGO-UHFFFAOYSA-I,,,,,,,,,,,
100.072.496,279-769-1,81484-99-3,"1,3-dimethyl-2-thioxo-5-[(1,5,5-trimethyl-2-pyrrolidinylidene)ethylidene]imidazolidin-4-one","1,3-dimethyl-2-thioxo-5-[2-(1,5,5-trimethylpyrrolidin-2-ylidene)ethylidene]imidazolidin-4-one",CN2C(=CC=C1C(=O)N(C)C(=S)N1C)CCC2(C)C,CN2C(=CC=C1C(=O)N(C)C(=S)N1C)CCC2(C)C,"InChI=1/C14H21N3OS/c1-14(2)9-8-10(17(14)5)6-7-11-12(18)16(4)13(19)15(11)3/h6-7H,8-9H2,1-5H3",C14H21N3OS,,,,,,WEEOXMWVJALXHN-UHFFFAOYSA-N,,,,,,,,,,,
100.074.126,281-564-7,83968-84-7,1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]anthraquinone,"1-amino-4-({3-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone",CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1,CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1,"InChI=1/C23H21N3O2/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27/h3-12,25H,13,24H2,1-2H3",C23H21N3O2,,,,,,QXIXGQFTPKEPOF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.128,281-566-8,83968-86-9,"1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with acetic acid (1:1)","1-amino-4-({3-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone acetate",CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1.CC(=O)O,CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1.CC(=O)O,"InChI=1/C23H21N3O2.C2H4O2/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;1-2(3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,3,4)",C23H21N3O2.C2H4O2,,,,,,BRGUEQVFTPNNLP-UHFFFAOYSA-N,,,,,,,,,,,
100.074.133,281-572-0,83968-94-9,[2-[[4-[(2-cyano-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethylammonium methyl sulphate,"2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]-N,N,N-trimethylethanaminium methyl sulfate",[O-]S(=O)(=O)OC.[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C)c(C#N)c2,[O-]S(=O)(=O)OC.[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C)c(C#N)c2,"InChI=1/C21H27N6O2.CH4O4S/c1-6-25(11-12-27(3,4)5)18-7-9-20(16(2)13-18)23-24-21-10-8-19(26(28)29)14-17(21)15-22;1-5-6(2,3)4/h7-10,13-14H,6,11-12H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C21H27N6O2.CH3O4S,,,,,,KNMMFJAVSJCXHY-UHFFFAOYSA-M,,,,,,,,,,,
100.074.134,281-573-6,83968-95-0,[2-[[4-[(2-cyano-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate,"2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]-N,N,N-trimethylethanaminium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C)c(C#N)c2,[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C)c(C#N)c2,"InChI=1/C21H27N6O2.H2O4S.H2/c1-6-25(11-12-27(3,4)5)18-7-9-20(16(2)13-18)23-24-21-10-8-19(26(28)29)14-17(21)15-22;1-5(2,3)4;/h7-10,13-14H,6,11-12H2,1-5H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C21H27N6O2.HO4S,,,,,,SNLWDFLDZDSHGJ-UHFFFAOYSA-M,,,,,,,,,,,
100.074.135,281-574-1,83968-96-1,"2-[4,5-dihydro-5-methyl-1-(p-tolyl)-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium chloride","1,3,3-trimethyl-2-[5-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3H-indolium chloride",[Cl-].CC1CC(=NN1c2ccc(C)cc2)C3=[N+](C)c4ccccc4C3(C)C,[Cl-].CC1CC(=NN1c2ccc(C)cc2)C3=[N+](C)c4ccccc4C3(C)C,"InChI=1/C22H26N3.ClH/c1-15-10-12-17(13-11-15)25-16(2)14-19(23-25)21-22(3,4)18-8-6-7-9-20(18)24(21)5;/h6-13,16H,14H2,1-5H3;1H/q+1;/p-1",C22H26N3.Cl,,,,,,BFYXVYYYCHKGQC-UHFFFAOYSA-M,,,,,,,,,,,
100.067.663,274-452-4,70224-59-8,"Tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,3,6-trisulphonate","tetrasodium 5-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc1c2cc(cc(c2ccc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34)c5cc(ccc56)S([O-])(=O)=O)nc(Cl)n7,[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc1c2cc(cc(c2ccc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34)c5cc(ccc56)S([O-])(=O)=O)nc(Cl)n7,"InChI=1/C33H22ClN9O12S4.4Na/c34-31-37-32(35)39-33(38-31)36-24-8-9-27(22-13-16(56(44,45)46)5-6-20(22)24)41-40-25-10-11-26(19-4-2-1-3-18(19)25)42-43-30-23-14-17(57(47,48)49)15-29(59(53,54)55)21(23)7-12-28(30)58(50,51)52;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4",C33H22ClN9O12S4.4Na,,,,,,WIKKVJZSTLARBZ-UHFFFAOYSA-J,,,,,,,,,,,
100.067.671,274-461-3,70225-15-9,Bis(2-hydroxyethyl)ammonium pentadecafluoroheptane-1-sulphonate,"2-hydroxy-N-(2-hydroxyethyl)ethanaminium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate",OCC[NH2+]CCO.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCC[NH2+]CCO.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7HF15O3S.C4H11NO2/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;6-3-1-5-2-4-7/h(H,23,24,25);5-7H,1-4H2",C7HF15O3S.C4H11NO2,,,,,,SDWCILHGJCGQEW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.675,274-466-0,70225-20-6,Bis[trimethyl-3-[[(pentadecafluoroheptyl)sulphonyl]amino]propylammonium] sulphate,"bis(N,N,N-trimethyl-3-{[(pentadecafluoroheptyl)sulfonyl]amino}propan-1-aminium) sulfate",C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],"InChI=1/2C13H16F15N2O2S.H2O4S/c2*1-30(2,3)6-4-5-29-33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26;1-5(2,3)4/h2*29H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C13H16F15N2O2S.1/2O4S,,,,,,UUWZKXIUZHPNDP-UHFFFAOYSA-L,,,,,,,,,,,
100.068.819,275-725-0,71619-12-0,N-(isopropyl)-1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]naphthalen-2-amine,N-isopropyl-1-({3-methyl-4-[(3-methylphenyl)diazenyl]phenyl}diazenyl)naphthalen-2-amine,Cc1cc(ccc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3NC(C)C,Cc1cc(ccc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3NC(C)C,"InChI=1/C27H27N5/c1-18(2)28-26-14-12-21-9-5-6-11-24(21)27(26)32-30-23-13-15-25(20(4)17-23)31-29-22-10-7-8-19(3)16-22/h5-18,28H,1-4H3",C27H27N5,,,,,,UREQBJPSEDPPCT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.825,275-731-3,71628-07-4,"(2R-trans)-2-(3,4-dihydroxyphenyl)-3-(heptyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol","2-(3,4-dihydroxyphenyl)-3-(heptyloxy)chromane-5,7-diol",CCCCCCCO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,CCCCCCCO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,"InChI=1/C22H28O6/c1-2-3-4-5-6-9-27-21-13-16-18(25)11-15(23)12-20(16)28-22(21)14-7-8-17(24)19(26)10-14/h7-8,10-12,21-26H,2-6,9,13H2,1H3",C22H28O6,,,,,,DFUVOFPBVOQUIM-FCHUYYIVSA-N,,,,,,,,,,,
100.068.834,275-741-8,71637-34-8,Thiophene-3-methanol,3-thienylmethanol,OCc1ccsc1,OCc1ccsc1,"InChI=1/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2",C5H6OS,,,,,,BOWIFWCBNWWZOG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.840,275-748-6,71648-20-9,"1,5,5-trichloro-7-oxabicyclo[4.1.0]heptane","1,5,5-trichloro-7-oxabicyclo[4.1.0]heptane",ClC1(Cl)CCCC2(Cl)OC12,ClC1(Cl)CCCC2(Cl)OC12,"InChI=1/C6H7Cl3O/c7-5(8)2-1-3-6(9)4(5)10-6/h4H,1-3H2",C6H7Cl3O,,,,,,AIPINVBKJYKCOI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.197,270-638-4,68473-31-4,"Benzoic acid, compound with N,N-dimethyldodecylamine (1:1)","N,N-dimethyldodecan-1-amine benzoate",CCCCCCCCCCCCN(C)C.OC(=O)c1ccccc1,CCCCCCCCCCCCN(C)C.OC(=O)c1ccccc1,"InChI=1/C14H31N.C7H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;8-7(9)6-4-2-1-3-5-6/h4-14H2,1-3H3;1-5H,(H,8,9)",C14H31N.C7H6O2,,,,,,CKCXTNZTRRWVSM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.210,270-653-6,68475-59-2,"Alkanes, C3-4",propane,CCC,CCC,"InChI=1/C3H8/c1-3-2/h3H2,1-2H3",-,,,,,,ATUOYWHBWRKTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.994,272-614-9,68892-31-9,"Trisodium 2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate","trisodium 2-{[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c4cccc(c34)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c4cccc(c34)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C27H20Cl2N8O9S3.3Na/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3",C27H20Cl2N8O9S3.3Na,,,,,,UPDVDGUOBRUKAJ-UHFFFAOYSA-K,,,,,,,,,,,
100.065.997,272-618-0,68900-65-2,"[[[4-(diethylamino)phenyl]methylene]bis[(3-methyl-4,1-phenylene)(ethylimino)methylene]]bis(benzenesulphonic) acid","2,2'-({[4-(diethylamino)phenyl]methylene}bis[(3-methyl-4,1-phenylene)(ethylimino)methylene])dibenzenesulfonic acid",CCN(CC)c1ccc(cc1)C(c2ccc(cc2C)N(CC)Cc3ccccc3S(=O)(=O)O)c4ccc(cc4C)N(CC)Cc5ccccc5S(=O)(=O)O,CCN(CC)c1ccc(cc1)C(c2ccc(cc2C)N(CC)Cc3ccccc3S(=O)(=O)O)c4ccc(cc4C)N(CC)Cc5ccccc5S(=O)(=O)O,"InChI=1/C43H51N3O6S2/c1-7-44(8-2)36-21-19-33(20-22-36)43(39-25-23-37(27-31(39)5)45(9-3)29-34-15-11-13-17-41(34)53(47,48)49)40-26-24-38(28-32(40)6)46(10-4)30-35-16-12-14-18-42(35)54(50,51)52/h11-28,43H,7-10,29-30H2,1-6H3,(H,47,48,49)(H,50,51,52)",C43H51N3O6S2,,,,,,QAOOKWLZKXBSCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.531,272-106-7,68715-90-2,O-sec-butyl O-ethyl hydrogen dithiophosphate,O-sec-butyl O-ethyl hydrogen dithiophosphate,CCOP(=S)(S)OC(C)CC,CCOP(=S)(S)OC(C)CC,"InChI=1/C6H15O2PS2/c1-4-6(3)8-9(10,11)7-5-2/h6H,4-5H2,1-3H3,(H,10,11)",C6H15O2PS2,,,,,,UPJRTKXAGROJTG-UHFFFAOYSA-N,,,,,,,,,,,
100.065.533,272-108-8,68725-15-5,Tributyl[(ethylsulphonyl)oxy]stannane,tributyl[(ethylsulfonyl)oxy]stannane,CCCC[Sn](CCCC)(CCCC)OS(=O)(=O)CC,CCCC[Sn](CCCC)(CCCC)OS(=O)(=O)CC,"InChI=1/3C4H9.C2H6O3S.Sn/c3*1-3-4-2;1-2-6(3,4)5;/h3*1,3-4H2,2H3;2H2,1H3,(H,3,4,5);/q;;;;+1/p-1/rC14H32O3SSn/c1-5-9-12-19(13-10-6-2,14-11-7-3)17-18(15,16)8-4/h5-14H2,1-4H3",C14H32O3SSn,,,,,,MNYWFHSJKOGEFX-UHFFFAOYSA-M,,,,,,,,,,,
100.065.540,272-116-1,68738-86-3,"Pyrimidine-4,5,6-triamine sulphate","pyrimidine-4,5,6-triamine sulfate",Nc1ncnc(N)c1N.OS(=O)(=O)O,Nc1ncnc(N)c1N.OS(=O)(=O)O,"InChI=1/C4H7N5.H2O4S/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4)",C4H7N5.xH2O4S,,,,,,RKJICTKHLYLPLY-UHFFFAOYSA-N,,,,,,,,,,,
100.065.553,272-130-8,68739-90-2,O-benzyl-L-methionine toluene-p-sulphonate,benzyl L-methioninate 4-methylbenzenesulfonate,CSCC[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,CSCC[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O,"InChI=1/C12H17NO2S.C7H8O3S/c1-16-8-7-11(13)12(14)15-9-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-9,13H2,1H3;2-5H,1H3,(H,8,9,10)",C12H17NO2S.C7H8O3S,,,,,,HVNFDGNZVKCCTM-MERQFXBCSA-N,,,,,,,,,,,
100.065.554,272-131-3,68740-15-8,4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-methyl-2-nitroaniline,4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N-methyl-2-nitroaniline,CNc1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1[N+](=O)[O-],CNc1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1[N+](=O)[O-],"InChI=1/C25H28N4O2/c1-26-23-13-12-20(18-24(23)29(30)31)19-27-14-16-28(17-15-27)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,25-26H,14-17,19H2,1H3",C25H28N4O2,,,,,,WWXFIBXWRNTLTE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.311,274-065-0,69661-30-9,"2,3,5-trifluorotetrahydro-4-(pentafluoroethyl)-2,3,4,5-tetrakis(trifluoromethyl)furan","2,3,5-trifluoro-4-(pentafluoroethyl)-2,3,4,5-tetrakis(trifluoromethyl)tetrahydrofuran",FC(F)(F)C(F)(F)C1(C(F)(F)F)C(F)(OC(F)(C(F)(F)F)C1(F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(F)C1(C(F)(F)F)C(F)(OC(F)(C(F)(F)F)C1(F)C(F)(F)F)C(F)(F)F,"InChI=1/C10F20O/c11-2(7(19,20)21)1(6(16,17)18,3(12,13)8(22,23)24)4(14,9(25,26)27)31-5(2,15)10(28,29)30",C10F20O,,,,,,ROKBKBIVJKPRAG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.316,274-070-8,69669-44-9,"Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts",sodium 4-dodecylbenzenesulfonate,[Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1",-,,,,,,JHJUUEHSAZXEEO-UHFFFAOYSA-M,,,,,,,,,,,
100.067.317,274-071-3,69673-80-9,1-(4-dodecylphenyl)-2-hydroxy-2-methylpropan-1-one,1-(4-dodecylphenyl)-2-hydroxy-2-methylpropan-1-one,CCCCCCCCCCCCc1ccc(cc1)C(=O)C(C)(C)O,CCCCCCCCCCCCc1ccc(cc1)C(=O)C(C)(C)O,"InChI=1/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21(23)22(2,3)24/h15-18,24H,4-14H2,1-3H3",C22H36O2,,,,,,MLKIVXXYTZKNMI-UHFFFAOYSA-N,,,,,,,,,,,
100.067.328,274-083-9,69695-73-4,Ethyl diprop-2-ynyl phosphate,ethyl diprop-2-yn-1-yl phosphate,CCOP(=O)(OCC#C)OCC#C,CCOP(=O)(OCC#C)OCC#C,"InChI=1/C8H11O4P/c1-4-7-11-13(9,10-6-3)12-8-5-2/h1-2H,6-8H2,3H3",C8H11O4P,,,,,,GUICUMLKEBGGLD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.330,274-086-5,69697-74-1,"1-methoxy-2-methylcyclohexa-1,4-diene","1-methoxy-2-methylcyclohexa-1,4-diene",COC1=C(C)CC=CC1,COC1=C(C)CC=CC1,"InChI=1/C8H12O/c1-7-5-3-4-6-8(7)9-2/h3-4H,5-6H2,1-2H3",C8H12O,,,,,,NCSRTRFNBMMGKK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.333,274-089-1,69704-27-4,"1,4-dipropoxybut-2-yne","1,4-dipropoxybut-2-yne",CCCOCC#CCOCCC,CCCOCC#CCOCCC,"InChI=1/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,7-10H2,1-2H3",C10H18O2,,,,,,ZCTCHUYEFFCKCW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.336,274-092-8,69709-01-9,"N,N,N',N'-tetramethyl-N''-[3-(trimethoxysilyl)propyl]guanidine","1,1,3,3-tetramethyl-2-[3-(trimethoxysilyl)propyl]guanidine",CO[Si](CCCN=C(N(C)C)N(C)C)(OC)OC,CO[Si](CCCN=C(N(C)C)N(C)C)(OC)OC,"InChI=1/C11H27N3O3Si/c1-13(2)11(14(3)4)12-9-8-10-18(15-5,16-6)17-7/h8-10H2,1-7H3",C11H27N3O3Si,,,,,,ZUEIRGBMFHHKAC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.480,276-450-9,72187-39-4,2-[2-(phenylmethoxy)ethyl]pyridine,2-[2-(benzyloxy)ethyl]pyridine,C(Cc1ccccn1)OCc2ccccc2,C(Cc1ccccn1)OCc2ccccc2,"InChI=1/C14H15NO/c1-2-6-13(7-3-1)12-16-11-9-14-8-4-5-10-15-14/h1-8,10H,9,11-12H2",C14H15NO,,,,,,JUKWUVUJUABESO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.485,276-456-1,72201-45-7,Tetradecyl 2-ethylhexanoate,tetradecyl 2-ethylhexanoate,CCCCCCCCCCCCCCOC(=O)C(CC)CCCC,CCCCCCCCCCCCCCOC(=O)C(CC)CCCC,"InChI=1/C22H44O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-24-22(23)21(6-3)19-8-5-2/h21H,4-20H2,1-3H3",C22H44O2,,,,,,YYVIVUWGOOIWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.724,275-619-4,71556-72-4,3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one,3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one,CCC1(CCCCN(C)C1=O)c2cccc(OC)c2,CCC1(CCCCN(C)C1=O)c2cccc(OC)c2,"InChI=1/C16H23NO2/c1-4-16(10-5-6-11-17(2)15(16)18)13-8-7-9-14(12-13)19-3/h7-9,12H,4-6,10-11H2,1-3H3",C16H23NO2,,,,,,AFBQUXAODCBPRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.726,275-622-0,71556-74-6,3-ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one,3-ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one,CCC1(CCCCN(C)C1=O)c2cccc(O)c2,CCC1(CCCCN(C)C1=O)c2cccc(O)c2,"InChI=1/C15H21NO2/c1-3-15(12-7-6-8-13(17)11-12)9-4-5-10-16(2)14(15)18/h6-8,11,17H,3-5,9-10H2,1-2H3",C15H21NO2,,,,,,YFSJZMANJNLCOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.423,270-887-9,68480-11-5,"Decahydrospiro[furan-2(3H),5'-[4,7]methano[5H]indene]","decahydro-3H-spiro[furan-2,5'-[4,7]methanoindene]",C1COC2(C1)CC3CC2C4CCCC34,C1COC2(C1)CC3CC2C4CCCC34,"InChI=1/C13H20O/c1-3-10-9-7-12(11(10)4-1)13(8-9)5-2-6-14-13/h9-12H,1-8H2",C13H20O,,,,,,JDJZAKLOMAHING-UHFFFAOYSA-N,,,,,,,,,,,
100.064.424,270-888-4,68480-12-6,"1,2,3,4-tetrahydronaphthalene-1-ethanol","2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol",OCCC1CCCc2ccccc12,OCCC1CCCc2ccccc12,"InChI=1/C12H16O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7,11,13H,3,5-6,8-9H2",C12H16O,,,,,,AIHUOSMQBXJRER-UHFFFAOYSA-N,,,,,,,,,,,
100.064.425,270-890-5,68480-13-7,Tetrahydro-a-pentylfuran-2-methanol,1-(tetrahydrofuran-2-yl)hexan-1-ol,CCCCCC(O)C1CCCO1,CCCCCC(O)C1CCCO1,"InChI=1/C10H20O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-11H,2-8H2,1H3",C10H20O2,,,,,,SZXJOXHALDXHPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.435,270-900-8,68480-23-9,Methyl 2-oxo-1-(2-pentynyl)cyclopentanecarboxylate,methyl 2-oxo-1-pent-2-yn-1-ylcyclopentanecarboxylate,CCC#CCC1(CCCC1=O)C(=O)OC,CCC#CCC1(CCCC1=O)C(=O)OC,"InChI=1/C12H16O3/c1-3-4-5-8-12(11(14)15-2)9-6-7-10(12)13/h3,6-9H2,1-2H3",C12H16O3,,,,,,HYEFLBYVQZARSG-UHFFFAOYSA-N,,,,,,,,,,,
100.064.441,270-907-6,68480-29-5,(Z)-hex-3-enyl non-2-ynoate,hex-3-en-1-yl non-2-ynoate,CCCCCCC#CC(=O)OCC\\C=C/CC,CCCCCCC#CC(=O)OCC\C=C/CC,"InChI=1/C15H24O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-10,12,14H2,1-2H3",C15H24O2,,,,,,PDPNRGJWKDIKKR-VURMDHGXSA-N,,,,,,,,,,,
100.064.447,270-913-9,68483-33-0,4-(acetylamino)phenyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate,4-acetamidophenyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate,COc1ccc2c(c1)c(CC(=O)Oc3ccc(NC(=O)C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4,COc1ccc2c(c1)c(CC(=O)Oc3ccc(NC(=O)C)cc3)c(C)n2C(=O)c4ccc(Cl)cc4,"InChI=1/C27H23ClN2O5/c1-16-23(15-26(32)35-21-10-8-20(9-11-21)29-17(2)31)24-14-22(34-3)12-13-25(24)30(16)27(33)18-4-6-19(28)7-5-18/h4-14H,15H2,1-3H3,(H,29,31)",C27H23ClN2O5,,,,,,KWUFTKVMXUYTBF-UHFFFAOYSA-N,,,,,,,,,,,
100.064.449,270-916-5,68484-70-8,"4-benzyl-1,3-dihydro-6-methylfuro[3,4-c]pyridin-7-ol","4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol",Cc1nc(Cc2ccccc2)c3COCc3c1O,Cc1nc(Cc2ccccc2)c3COCc3c1O,"InChI=1/C15H15NO2/c1-10-15(17)13-9-18-8-12(13)14(16-10)7-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3",C15H15NO2,,,,,,ZPHRLPUZKGQIIV-UHFFFAOYSA-N,,,,,,,,,,,
100.064.450,270-917-0,68489-03-2,1-[[1-(isopropyl)cyclohexyl]carbonyl]pyrrolidine,1-[(1-isopropylcyclohexyl)carbonyl]pyrrolidine,CC(C)C1(CCCCC1)C(=O)N2CCCC2,CC(C)C1(CCCCC1)C(=O)N2CCCC2,"InChI=1/C14H25NO/c1-12(2)14(8-4-3-5-9-14)13(16)15-10-6-7-11-15/h12H,3-11H2,1-2H3",C14H25NO,,,,,,VYGLAJBJMFWDCM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.456,270-923-3,68497-94-9,"6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-salicylate","6,9-difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl salicylate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccccc5O,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccccc5O,"InChI=1/C29H32F2O7/c1-15-10-18-19-12-21(30)20-11-16(32)8-9-26(20,2)28(19,31)23(34)13-27(18,3)29(15,37)24(35)14-38-25(36)17-6-4-5-7-22(17)33/h4-9,11,15,18-19,21,23,33-34,37H,10,12-14H2,1-3H3",C29H32F2O7,,,,,,RXAYXSKXOCODSP-YKQZNMERSA-N,,,,,,,,,,,
100.064.457,270-924-9,68504-35-8,"Tetrasodium 4,5-dihydroxy-3,6-bis[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","tetrasodium 4,5-dihydroxy-3,6-bis[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2S([O-])(=O)=O)c3O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2S([O-])(=O)=O)c3O)S([O-])(=O)=O,"InChI=1/C22H16N4O14S4.4Na/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34;;;;/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4",C22H16N4O14S4.4Na,,,,,,FCMRBZBGGXLKBC-UHFFFAOYSA-J,,,,,,,,,,,
100.064.460,270-928-0,68505-93-1,N-butyl-5-nitro-2-(2-propynyloxy)benzamide,N-butyl-5-nitro-2-(prop-2-yn-1-yloxy)benzamide,CCCCNC(=O)c1cc(ccc1OCC#C)[N+](=O)[O-],CCCCNC(=O)c1cc(ccc1OCC#C)[N+](=O)[O-],"InChI=1/C14H16N2O4/c1-3-5-8-15-14(17)12-10-11(16(18)19)6-7-13(12)20-9-4-2/h2,6-7,10H,3,5,8-9H2,1H3,(H,15,17)",C14H16N2O4,,,,,,BNNHAQLPTDVJRX-UHFFFAOYSA-N,,,,,,,,,,,
100.074.136,281-575-7,83968-98-3,"4-[[(2,3-dihydro-2-methyl-1H-indol-1-yl)imino]methyl]-1-methylquinolinium acetate","1-methyl-4-{[(2-methyl-2,3-dihydro-1H-indol-1-yl)imino]methyl}quinolinium acetate",[O-]C(C)=O.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34,[O-]C(C)=O.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34,"InChI=1/C20H20N3.C2H4O2/c1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20;1-2(3)4/h3-12,14-15H,13H2,1-2H3;1H3,(H,3,4)/q+1;/p-1",C20H20N3.C2H3O2,,,,,,KAJZFTITULYPDY-UHFFFAOYSA-M,,,,,,,,,,,
100.074.139,281-578-3,83969-02-2,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium sulphate (2:1)","bis{2-[(4-methoxyphenyl)(methyl)carbonohydrazonoyl]-1,3,3-trimethyl-5-nitro-3H-indolium} sulfate",[O-]S([O-])(=O)=O.COc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O.COc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,[O-]S([O-])(=O)=O.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,"InChI=1/2C20H23N4O3.H2O4S/c2*1-20(2)17-12-15(24(25)26)8-11-18(17)22(3)19(20)13-21-23(4)14-6-9-16(27-5)10-7-14;1-5(2,3)4/h2*6-13H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2",C20H23N4O3.1/2O4S,,,,,,PFSFRRGENKHDMR-UHFFFAOYSA-L,,,,,,,,,,,
100.074.143,281-583-0,83969-06-6,"5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate","5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate",COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\\C=C\\c3c(c4ccccc4)n(C)c5ccccc35.CC(=O)[O-],COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.CC(=O)[O-],"InChI=1/C29H29N2O.C2H4O2/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-2(3)4/h6-19H,1-5H3;1H3,(H,3,4)/q+1;/p-1",C29H29N2O.C2H3O2,,,,,,GFMILANCGJPXTG-UHFFFAOYSA-M,,,,,,,,,,,
100.070.029,277-055-4,72928-22-4,3-methyl-2-(3-methylbuten-2-yl)cyclohex-3-ene-1-carbonitrile,3-methyl-2-(2-methyl-1-methylenepropyl)cyclohex-3-ene-1-carbonitrile,CC(C)C(=C)C1C(CCC=C1C)C#N,CC(C)C(=C)C1C(CCC=C1C)C#N,"InChI=1/C13H19N/c1-9(2)11(4)13-10(3)6-5-7-12(13)8-14/h6,9,12-13H,4-5,7H2,1-3H3",C13H19N,,,,,,AWQUQWSGHGKIMK-UHFFFAOYSA-N,,,,,,,,,,,
100.070.034,277-061-7,72928-27-9,"4,8-dimethyl-4,9-decadien-1-ol","4,8-dimethyldeca-4,9-dien-1-ol",C=CC(C)CCC=C(C)CCCO,C=CC(C)CCC=C(C)CCCO,"InChI=1/C12H22O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h4,8,11,13H,1,5-7,9-10H2,2-3H3",C12H22O,,,,,,PSFAZLXAAWYFEH-UHFFFAOYSA-N,,,,,,,,,,,
100.070.040,277-068-5,72928-34-8,3-methylbutyl (E)-hex-2-enoate,3-methylbutyl hex-2-enoate,CCC\\C=C\\C(=O)OCCC(C)C,CCC\C=C\C(=O)OCCC(C)C,"InChI=1/C11H20O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3",C11H20O2,,,,,,WLQBAWNOQKUECX-VOTSOKGWSA-N,,,,,,,,,,,
100.070.051,277-080-0,72928-50-8,"[4-(1,1-dimethylethyl)phenoxy]acetaldehyde",(4-tert-butylphenoxy)acetaldehyde,CC(C)(C)c1ccc(OCC=O)cc1,CC(C)(C)c1ccc(OCC=O)cc1,"InChI=1/C12H16O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-8H,9H2,1-3H3",C12H16O2,,,,,,MNRZECIRFMLTEY-UHFFFAOYSA-N,,,,,,,,,,,
100.063.464,269-832-1,68334-53-2,"3,18-diethyl-7,14-dioxa-3,18-diazaicosane-5,16-diol dihydrochloride","3,18-diethyl-7,14-dioxa-3,18-diazaicosane-5,16-diol dihydrochloride",Cl.Cl.CCN(CC)CC(O)COCCCCCCOCC(O)CN(CC)CC,Cl.Cl.CCN(CC)CC(O)COCCCCCCOCC(O)CN(CC)CC,"InChI=1/C20H44N2O4.2ClH/c1-5-21(6-2)15-19(23)17-25-13-11-9-10-12-14-26-18-20(24)16-22(7-3)8-4;;/h19-20,23-24H,5-18H2,1-4H3;2*1H",C20H44N2O4.2ClH,,,,,,WHWMAGFRSCIXLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.074.148,281-588-8,83969-11-3,"2-[2-[4-(diethylammonio)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium oxalate","2-{2-[4-(diethylammonio)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium oxalate",CC[NH+](CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]C(=O)C(=O)[O-],CC[NH+](CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]C(=O)C(=O)[O-],"InChI=1/C23H29N2.C2H2O4/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;3-1(4)2(5)6/h8-17H,6-7H2,1-5H3;(H,3,4)(H,5,6)/q+1;/p-1",C23H29N2.C2HO4,,,,,,BSGDWLGKCUSZNT-UHFFFAOYSA-M,,,,,,,,,,,
100.074.156,281-597-7,83969-21-5,"2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)","bis{2-[1-(2-chlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium} sulfate",CC1CC(=NN1c2ccccc2Cl)C3=[N+](C)c4ccccc4C3(C)C.CC5CC(=NN5c6ccccc6Cl)C7=[N+](C)c8ccccc8C7(C)C.[O-]S(=O)(=O)[O-],CC1CC(=NN1c2ccccc2Cl)C3=[N+](C)c4ccccc4C3(C)C.CC5CC(=NN5c6ccccc6Cl)C7=[N+](C)c8ccccc8C7(C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C21H23ClN3.H2O4S/c2*1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-5(2,3)4/h2*5-12,14H,13H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C21H23ClN3.1/2O4S,,,,,,ZHBVIQCXIWMIGA-UHFFFAOYSA-L,,,,,,,,,,,
100.067.510,274-285-7,70028-95-4,2-methyl-5-nitro-1H-imidazole-1-propanol monohydrochloride,3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-1-ol hydrochloride,Cl.Cc1ncc([N+](=O)[O-])n1CCCO,Cl.Cc1ncc([N+](=O)[O-])n1CCCO,"InChI=1/C7H11N3O3.ClH/c1-6-8-5-7(10(12)13)9(6)3-2-4-11;/h5,11H,2-4H2,1H3;1H",C7H11N3O3.ClH,,,,,,PTXLKVODAFRGDG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.514,274-289-9,70050-42-9,Calcium bis(1-acetyl-5-oxo-L-prolinate),calcium bis(1-acetyl-5-oxopyrrolidine-2-carboxylate),[Ca+2].CC(=O)N1[C@@H](CCC1=O)C(=O)[O-].CC(=O)N2[C@@H](CCC2=O)C(=O)[O-],[Ca+2].CC(=O)N1[C@@H](CCC1=O)C(=O)[O-].CC(=O)N2[C@@H](CCC2=O)C(=O)[O-],"InChI=1/2C7H9NO4.Ca/c2*1-4(9)8-5(7(11)12)2-3-6(8)10;/h2*5H,2-3H2,1H3,(H,11,12);/q;;+2/p-2",C7H9NO4.1/2Ca,,,,,,RXKFZUOXNGCGIC-MDTVQASCSA-L,,,,,,,,,,,
100.067.516,274-292-5,70055-52-6,"N,N'-[[(2-cyanoethyl)imino]diethane-1,2-diyl]distearamide","N,N'-{[(2-cyanoethyl)imino]diethane-2,1-diyl}dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#N,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#N,"InChI=1/C43H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)45-37-40-47(39-33-36-44)41-38-46-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35,37-41H2,1-2H3,(H,45,48)(H,46,49)",C43H84N4O2,,,,,,FKQHSBAADFHUQW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.517,274-293-0,70055-53-7,"N-[2-(4,5-dihydro-2-pentadecyl-1H-imidazol-1-yl)ethyl]hexadecan-1-amide","N-[2-(2-pentadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]hexadecanamide",CCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCC,"InChI=1/C36H71N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-37-31-33-39(35)34-32-38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,38,40)",C36H71N3O,,,,,,FPOOYNZMDXKXIK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.533,274-310-1,70092-43-2,Pent-2-oxycyclohexan-1-ol,2-(pentyloxy)cyclohexanol,CCCCCOC1CCCCC1O,CCCCCOC1CCCCC1O,"InChI=1/C11H22O2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h10-12H,2-9H2,1H3",C11H22O2,,,,,,BSHPGCHSGNTBBX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.535,274-312-2,70092-45-4,2-(decyloxy)cyclohexan-1-ol,2-(decyloxy)cyclohexanol,CCCCCCCCCCOC1CCCCC1O,CCCCCCCCCCOC1CCCCC1O,"InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17/h15-17H,2-14H2,1H3",C16H32O2,,,,,,KVBCPXQQODIKLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.700,274-493-8,70239-77-9,"4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid","4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid",Nc1cccc(c1)C(=O)Nc2ccc(c3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,Nc1cccc(c1)C(=O)Nc2ccc(c3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H14N2O8S2/c18-10-3-1-2-9(6-10)17(21)19-13-4-5-15(29(25,26)27)12-7-11(28(22,23)24)8-14(20)16(12)13/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)",C17H14N2O8S2,,,,,,GXAGGOUUTLWTGU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.719,274-515-6,70248-52-1,Bis[trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium] sulphate,"bis(N,N,N-trimethyl-3-{[(tridecafluorohexyl)sulfonyl]amino}propan-1-aminium) sulfate",C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],"InChI=1/2C12H16F13N2O2S.H2O4S/c2*1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;1-5(2,3)4/h2*26H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C12H16F13N2O2S.1/2O4S,,,,,,YBMZDDVMZMNFRI-UHFFFAOYSA-L,,,,,,,,,,,
100.067.721,274-517-7,70259-85-7,"Potassium 1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonate","potassium 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonate",[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C4H2F8O3S.K/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15;/h1H,(H,13,14,15);/q;+1/p-1",C4H2F8O3S.K,,,,,,KTMCAOSDNBNPRO-UHFFFAOYSA-M,,,,,,,,,,,
100.067.723,274-519-8,70263-43-3,a-(4-bromophenyl)-a-vinylpyridine-3-methanol,1-(4-bromophenyl)-1-pyridin-3-ylprop-2-en-1-ol,OC(C=C)(c1ccc(Br)cc1)c2cccnc2,OC(C=C)(c1ccc(Br)cc1)c2cccnc2,"InChI=1/C14H12BrNO/c1-2-14(17,12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h2-10,17H,1H2",C14H12BrNO,,,,,,MPZIBGBODUJREE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.854,275-763-8,71648-34-5,p-menth-1-en-8-yl benzoate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl benzoate,CC1=CCC(CC1)C(C)(C)OC(=O)c2ccccc2,CC1=CCC(CC1)C(C)(C)OC(=O)c2ccccc2,"InChI=1/C17H22O2/c1-13-9-11-15(12-10-13)17(2,3)19-16(18)14-7-5-4-6-8-14/h4-9,15H,10-12H2,1-3H3",C17H22O2,,,,,,SNCWRHHQNIWULG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.855,275-764-3,71648-35-6,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl octanoate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl octanoate,CCCCCCCC(=O)OC(C)(C)C1CCC(=CC1)C,CCCCCCCC(=O)OC(C)(C)C1CCC(=CC1)C,"InChI=1/C18H32O2/c1-5-6-7-8-9-10-17(19)20-18(3,4)16-13-11-15(2)12-14-16/h11,16H,5-10,12-14H2,1-4H3",C18H32O2,,,,,,UPGAHZUAKBEVCT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.859,275-769-0,71648-39-0,1-(4-chlorobutoxy)-3-methylbenzene,1-(4-chlorobutoxy)-3-methylbenzene,Cc1cccc(OCCCCCl)c1,Cc1cccc(OCCCCCl)c1,"InChI=1/C11H15ClO/c1-10-5-4-6-11(9-10)13-8-3-2-7-12/h4-6,9H,2-3,7-8H2,1H3",C11H15ClO,,,,,,FVBUVUOPHWUVCR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.493,276-465-0,72207-98-8,Disodium 3-[[4-[[4-[ethyl[(4-sulphonatophenyl)methyl]amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonate,disodium 3-{[4-({4-[ethyl(4-sulfonatobenzyl)amino]phenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)CN(CC)c2ccc(cc2)N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)CN(CC)c2ccc(cc2)N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45,"InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-10-16-26(17-11-22)43(37,38)39)25-14-12-23(13-15-25)32-34-30-18-19-31(29-9-4-3-8-28(29)30)35-33-24-6-5-7-27(20-24)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C31H27N5O6S2.2Na,,,,,,GJPCMIYMRWUAQQ-UHFFFAOYSA-L,,,,,,,,,,,
100.063.753,270-150-1,68411-81-4,"2-Imidazolidinone, 4,5-dihydroxy-1,3-bis(hydroxymethyl)-, methylated","4-hydroxy-1,3-bis(hydroxymethyl)-5-methoxyimidazolidin-2-one",COC1C(O)N(CO)C(=O)N1CO,COC1C(O)N(CO)C(=O)N1CO,"InChI=1/C6H12N2O5/c1-13-5-4(11)7(2-9)6(12)8(5)3-10/h4-5,9-11H,2-3H2,1H3",-,,,,,,DDTMTHCUKRELBA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.084,271-614-6,68589-67-3,"N,N-dibenzyl-3'-isopropyl-2,2'-spirobi[2H-1-benzopyran]-7-amine","N,N-dibenzyl-3'-isopropyl-2,2'-spirobi[chromen]-7-amine",CC(C)C1=Cc2ccccc2OC13Oc4cc(ccc4C=C3)N(Cc5ccccc5)Cc6ccccc6,CC(C)C1=Cc2ccccc2OC13Oc4cc(ccc4C=C3)N(Cc5ccccc5)Cc6ccccc6,"InChI=1/C34H31NO2/c1-25(2)31-21-29-15-9-10-16-32(29)36-34(31)20-19-28-17-18-30(22-33(28)37-34)35(23-26-11-5-3-6-12-26)24-27-13-7-4-8-14-27/h3-22,25H,23-24H2,1-2H3",C34H31NO2,,,,,,WUAHZVGJWCSXNW-UHFFFAOYSA-N,,,,,,,,,,,
100.065.087,271-617-2,68594-62-7,5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonic acid,5-{[4-acetamido-2-(trifluoromethyl)phenyl]diazenyl}-6-amino-4-hydroxynaphthalene-2-sulfonic acid,CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O)c(c3)C(F)(F)F,CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O)c(c3)C(F)(F)F,"InChI=1/C19H15F3N4O5S/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18/h2-8,28H,23H2,1H3,(H,24,27)(H,29,30,31)",C19H15F3N4O5S,,,,,,WZMFZOXPBUCMPA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.568,272-147-0,68758-56-5,"2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)sulphonyl]amino]ethyl acrylate","2-{methyl[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)sulfonyl]amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C23H12F33NO4S/c1-3-7(58)61-5-4-57(2)62(59,60)6-8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)20(48,49)21(50,51)22(52,53)23(54,55)56/h3H,1,4-6H2,2H3",C23H12F33NO4S,,,,,,KSRNSIIMBGIEPL-UHFFFAOYSA-N,,,,,,,,,,,
100.065.569,272-148-6,68758-57-6,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecane-1-sulphonyl chloride","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecane-1-sulfonyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS(=O)(=O)Cl,"InChI=1/C14H4ClF25O2S/c15-43(41,42)2-1-3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)40/h1-2H2",C14H4ClF25O2S,,,,,,OWNXTVBJQHTUHT-UHFFFAOYSA-N,,,,,,,,,,,
100.065.571,272-150-7,68758-65-6,"1-ethyl-2-[3-(1-ethyl-1H-quinolin-4-ylidene)-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate","1-ethyl-2-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CCN5/C=C\\C(=CC=Cc3sc2ccc1ccccc1c2[n+]3CC)c4ccccc45,[O-]S(=O)(=O)c1ccc(C)cc1.CCN5/C=C\C(=CC=Cc3sc2ccc1ccccc1c2[n+]3CC)c4ccccc45,"InChI=1/C27H25N2S.C7H8O3S/c1-3-28-19-18-21(22-12-7-8-14-24(22)28)11-9-15-26-29(4-2)27-23-13-6-5-10-20(23)16-17-25(27)30-26;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C27H25N2S.C7H7O3S,,,,,,CWULMQVIKZARHS-UHFFFAOYSA-M,,,,,,,,,,,
100.065.572,272-151-2,68758-72-5,"N,N'-bis[2-[[[(2-aminophenyl)thio]methyl]thio]phenyl]methylenediamine","N,N'-bis[2-({[(2-aminophenyl)sulfanyl]methyl}sulfanyl)phenyl]methanediamine",Nc1ccccc1SCSc2ccccc2NCNc3ccccc3SCSc4ccccc4N,Nc1ccccc1SCSc2ccccc2NCNc3ccccc3SCSc4ccccc4N,"InChI=1/C27H28N4S4/c28-20-9-1-5-13-24(20)32-18-34-26-15-7-3-11-22(26)30-17-31-23-12-4-8-16-27(23)35-19-33-25-14-6-2-10-21(25)29/h1-16,30-31H,17-19,28-29H2",C27H28N4S4,,,,,,OWXIREOFSQQJKK-UHFFFAOYSA-N,,,,,,,,,,,
100.065.573,272-152-8,68758-73-6,N-[2-(imidazolidin-1-yl)ethyl]ethylenediamine,"N-(2-imidazolidin-1-ylethyl)ethane-1,2-diamine",NCCNCCN1CCNC1,NCCNCCN1CCNC1,"InChI=1/C7H18N4/c8-1-2-9-3-5-11-6-4-10-7-11/h9-10H,1-8H2",C7H18N4,,,,,,BEIDPQDXXXUJEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.580,272-160-1,68758-85-0,p-(tert-butyl)[(2-hydroxy-1-naphthyl)methylene]benzohydrazide,4-tert-butyl-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide,CC(C)(C)c1ccc(cc1)C(=O)NN=Cc2c3ccccc3ccc2O,CC(C)(C)c1ccc(cc1)C(=O)NN=Cc2c3ccccc3ccc2O,"InChI=1/C22H22N2O2/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-23-14-19-18-7-5-4-6-15(18)10-13-20(19)25/h4-14,25H,1-3H3,(H,24,26)",C22H22N2O2,,,,,,QSEQSUVWYBZMLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.515,275-390-0,71411-84-2,Aluminium heptan-1-olate,aluminum triheptan-1-olate,[Al+3].CCCCCCC[O-].CCCCCCC[O-].CCCCCCC[O-],[Al+3].CCCCCCC[O-].CCCCCCC[O-].CCCCCCC[O-],"InChI=1/3C7H15O.Al/c3*1-2-3-4-5-6-7-8;/h3*2-7H2,1H3;/q3*-1;+3",C7H16O.1/3Al,,,,,,PVNBGPRGXVOOIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.345,274-103-6,69756-31-6,4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrafluoroborate,4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrafluoroborate,CCN(CCO)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,CCN(CCO)c1ccc(cc1)[N+]#N.F[B-](F)(F)F,"InChI=1/C10H14N3O.BF4/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;2-1(3,4)5/h3-6,14H,2,7-8H2,1H3;/q+1;-1",C10H14N3O.BF4,,,,,,XLIWXKNHNMEGCP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.351,274-109-9,69770-23-6,3-[4-(tert-butyl)phenoxy]benzaldehyde,3-(4-tert-butylphenoxy)benzaldehyde,CC(C)(C)c1ccc(Oc2cccc(C=O)c2)cc1,CC(C)(C)c1ccc(Oc2cccc(C=O)c2)cc1,"InChI=1/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3",C17H18O2,,,,,,YZIHNHLGGMSWAD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.360,274-119-3,69791-82-8,"3,4-dihydro-5,6,7-trimethoxy-2-naphthoic acid","5,6,7-trimethoxy-3,4-dihydronaphthalene-2-carboxylic acid",COc1cc2C=C(CCc2c(OC)c1OC)C(=O)O,COc1cc2C=C(CCc2c(OC)c1OC)C(=O)O,"InChI=1/C14H16O5/c1-17-11-7-9-6-8(14(15)16)4-5-10(9)12(18-2)13(11)19-3/h6-7H,4-5H2,1-3H3,(H,15,16)",C14H16O5,,,,,,QJWPWKFTQLFTKD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.363,274-123-5,69804-19-9,"3-[1-[difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropiononitrile","3-(1-{difluoro[(trifluorovinyl)oxy]methyl}-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoropropanenitrile",FC(=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C#N)C(F)(F)F)F,FC(=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C#N)C(F)(F)F)F,"InChI=1/C8F13NO2/c9-2(10)3(11)23-8(20,21)5(14,6(15,16)17)24-7(18,19)4(12,13)1-22",C8F13NO2,,,,,,LYIPDZSLYLDLCU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.364,274-124-0,69804-48-4,"4,4'-bis[(2-hydroxyethyl)methylamino]benzophenone",bis{4-[(2-hydroxyethyl)(methyl)amino]phenyl}methanone,CN(CCO)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)CCO,CN(CCO)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)CCO,"InChI=1/C19H24N2O3/c1-20(11-13-22)17-7-3-15(4-8-17)19(24)16-5-9-18(10-6-16)21(2)12-14-23/h3-10,22-23H,11-14H2,1-2H3",C19H24N2O3,,,,,,SVIDPUWUNCALBH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.366,274-126-1,69808-32-8,"1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-butyl-5-[(4-chlorophenyl)diazenyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",Clc1ccc(cc1)N=N/C2=C(\\O)N(CCCC)C(=O)C(/C#N)=C2/C,Clc1ccc(cc1)N=N/C2=C(\O)N(CCCC)C(=O)C(/C#N)=C2/C,"InChI=1/C17H17ClN4O2/c1-3-4-9-22-16(23)14(10-19)11(2)15(17(22)24)21-20-13-7-5-12(18)6-8-13/h5-8,24H,3-4,9H2,1-2H3",C17H17ClN4O2,,,,,,DLTLEIUQPDJNQM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.370,274-130-3,69815-56-1,3-hydroxy-4-[(4-methoxy-2-nitrophenyl)azo]-N-(3-nitrophenyl)naphthalene-2-carboxamide,3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]-N-(3-nitrophenyl)-2-naphthamide,[O-][N+](=O)c1cccc(c1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(OC)cc3[N+]([O-])=O)c4O,[O-][N+](=O)c1cccc(c1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(OC)cc3[N+]([O-])=O)c4O,"InChI=1/C24H17N5O7/c1-36-17-9-10-20(21(13-17)29(34)35)26-27-22-18-8-3-2-5-14(18)11-19(23(22)30)24(31)25-15-6-4-7-16(12-15)28(32)33/h2-13,30H,1H3,(H,25,31)",C24H17N5O7,,,,,,MQAMWDWKDQDPIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.371,274-131-9,69820-24-2,(E)-13-octadecenal,octadec-13-enal,CCCC\\C=C\\CCCCCCCCCCCC=O,CCCC\C=C\CCCCCCCCCCCC=O,"InChI=1/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3",C18H34O,,,,,,QIRGIHPYVVKWTO-AATRIKPKSA-N,,,,,,,,,,,
100.067.374,274-135-0,69828-78-0,"3-(1-naphthylamino)propane-1,2-diol","3-(1-naphthylamino)propane-1,2-diol",OCC(O)CNc1cccc2ccccc12,OCC(O)CNc1cccc2ccccc12,"InChI=1/C13H15NO2/c15-9-11(16)8-14-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-16H,8-9H2",C13H15NO2,,,,,,FFDICKQFLGMKFP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.876,276-887-5,72828-75-2,"[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate","2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium hydrogen sulfate",[H+].Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O,[H+].Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O,"InChI=1/C19H24Cl2N5O2.H2O4S.H2/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5(2,3)4;/h6-9,12-13H,5,10-11H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C19H24Cl2N5O2.HO4S,,,,,,FFANLUVXYOADEX-UHFFFAOYSA-M,,,,,,,,,,,
100.069.882,276-893-8,72828-88-7,"Sodium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-phenoxy-1-anthryl)amino]-3,5-diethyltoluene-2-sulphonate","sodium 3-[(4-amino-9,10-dioxo-3-phenoxy-9,10-dihydroanthracen-1-yl)amino]-2,4-diethyl-6-methylbenzenesulfonate",[Na+].CCc1cc(C)c(c(CC)c1Nc2cc(Oc3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)[O-],[Na+].CCc1cc(C)c(c(CC)c1Nc2cc(Oc3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)[O-],"InChI=1/C31H28N2O6S.Na/c1-4-18-15-17(3)31(40(36,37)38)20(5-2)28(18)33-23-16-24(39-19-11-7-6-8-12-19)27(32)26-25(23)29(34)21-13-9-10-14-22(21)30(26)35;/h6-16,33H,4-5,32H2,1-3H3,(H,36,37,38);/q;+1/p-1",C31H28N2O6S.Na,,,,,,HTWGRXCSNNNIEK-UHFFFAOYSA-M,,,,,,,,,,,
100.064.484,270-954-2,68512-02-7,"Benzene, (tetrapropenyl) derivs.","1,2,4,5-tetraprop-1-en-1-ylbenzene",C\\C=C\\c1cc(\\C=C\\C)c(\\C=C\\C)cc1\\C=C\\C,C\C=C\c1cc(\C=C\C)c(\C=C\C)cc1\C=C\C,"InChI=1/C18H22/c1-5-9-15-13-17(11-7-3)18(12-8-4)14-16(15)10-6-2/h5-14H,1-4H3",-,,,,,,CTBMFGOSTWFQNC-HFBXSBKTSA-N,,,,,,,,,,,
100.066.004,272-625-9,68900-75-4,(E)-didecyl(dodec-1-enyl)aluminium,didecyl(dodec-1-en-1-yl)aluminum,CCCCCCCCCC\\C=C\\[Al](CCCCCCCCCC)CCCCCCCCCC,CCCCCCCCCC\C=C\[Al](CCCCCCCCCC)CCCCCCCCCC,"InChI=1/C12H23.2C10H21.Al/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3-5-7-9-10-8-6-4-2;/h1,3H,4-12H2,2H3;2*1,3-10H2,2H3;/rC32H65Al/c1-4-7-10-13-16-19-20-23-26-29-32-33(30-27-24-21-17-14-11-8-5-2)31-28-25-22-18-15-12-9-6-3/h29,32H,4-28,30-31H2,1-3H3",C32H65Al,,,,,,ZKBVGYDDAFNYRL-UHFFFAOYSA-N,,,,,,,,,,,
100.074.175,281-617-4,84000-62-4,"Trisodium 4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate","trisodium 4-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,"InChI=1/C27H24ClN9O13S4.3Na/c1-15-23(24(38)37(36-15)18-6-8-19(9-7-18)52(41,42)43)35-34-21-14-17(5-10-22(21)53(44,45)46)30-27-32-25(28)31-26(33-27)29-16-3-2-4-20(13-16)51(39,40)12-11-50-54(47,48)49;;;/h2-10,13-14,23H,11-12H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,29,30,31,32,33);;;/q;3*+1/p-3",C27H24ClN9O13S4.3Na,,,,,,XZLLBKAMQLLLGF-UHFFFAOYSA-K,,,,,,,,,,,
100.074.178,281-621-6,84000-65-7,"N-[5-[bis(2-phenoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]acetamide","N-{5-[bis(2-phenoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]phenyl}acetamide",Brc4cc(cc(c4N=Nc1ccc(cc1NC(C)=O)N(CCOc2ccccc2)CCOc3ccccc3)[N+]([O-])=O)[N+]([O-])=O,Brc4cc(cc(c4N=Nc1ccc(cc1NC(C)=O)N(CCOc2ccccc2)CCOc3ccccc3)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C30H27BrN6O7/c1-21(38)32-28-19-22(12-13-27(28)33-34-30-26(31)18-23(36(39)40)20-29(30)37(41)42)35(14-16-43-24-8-4-2-5-9-24)15-17-44-25-10-6-3-7-11-25/h2-13,18-20H,14-17H2,1H3,(H,32,38)",C30H27BrN6O7,,,,,,PASZXSYYSQWCKE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.070,277-100-8,72929-02-3,"2,2,2-trichloro-1-phenylethyl isobutyrate","2,2,2-trichloro-1-phenylethyl 2-methylpropanoate",CC(C)C(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,CC(C)C(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,"InChI=1/C12H13Cl3O2/c1-8(2)11(16)17-10(12(13,14)15)9-6-4-3-5-7-9/h3-8,10H,1-2H3",C12H13Cl3O2,,,,,,WPPIDRMGMMPCMO-UHFFFAOYSA-N,,,,,,,,,,,
100.070.073,277-103-4,72934-16-8,"1,1-diethoxytridecane","1,1-diethoxytridecane",CCCCCCCCCCCCC(OCC)OCC,CCCCCCCCCCCCC(OCC)OCC,"InChI=1/C17H36O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h17H,4-16H2,1-3H3",C17H36O2,,,,,,XWXXXLODHHHRGE-UHFFFAOYSA-N,,,,,,,,,,,
100.070.095,277-128-0,72964-78-4,"1-[bis(2,4-dinitrophenyl)methyl]-4-tert-butylpyridinium chloride","1-[bis(2,4-dinitrophenyl)methyl]-4-tert-butylpyridinium chloride",[Cl-].CC(C)(C)c1cc[n+](cc1)C(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],[Cl-].CC(C)(C)c1cc[n+](cc1)C(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C22H20N5O8.ClH/c1-22(2,3)14-8-10-23(11-9-14)21(17-6-4-15(24(28)29)12-19(17)26(32)33)18-7-5-16(25(30)31)13-20(18)27(34)35;/h4-13,21H,1-3H3;1H/q+1;/p-1",C22H20N5O8.Cl,,,,,,YFKPEPUEGRCTQU-UHFFFAOYSA-M,,,,,,,,,,,
100.063.473,269-842-6,68334-67-8,"1,1,2,3,4-pentachloro-4-(isopropoxy)buta-1,3-diene","1,1,2,3,4-pentachloro-4-isopropoxybuta-1,3-diene",CC(C)OC(Cl)=C(Cl)C(\\Cl)=C(/Cl)Cl,CC(C)OC(Cl)=C(Cl)C(\Cl)=C(/Cl)Cl,"InChI=1/C7H7Cl5O/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3H,1-2H3",C7H7Cl5O,,,,,,NPPXYBKPTKBFMG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.477,269-846-8,68340-26-1,"Benzene-1,2,4-tricarboxylic acid, compound with 2-phenyl-1H-imidazole-1-propiononitrile","benzene-1,2,4-tricarboxylic acid - 3-(2-phenyl-1H-imidazol-1-yl)propanenitrile (1:1)",OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.N#CCCn2ccnc2c3ccccc3,OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.N#CCCn2ccnc2c3ccccc3,"InChI=1/C12H11N3.C9H6O6/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,5-6,8,10H,4,9H2;1-3H,(H,10,11)(H,12,13)(H,14,15)",C12H11N3.xC9H6O6,,,,,,GNLIGJLHRCFSDF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.485,269-855-7,68359-37-5,"a-cyano-4-fluoro-3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2,"InChI=1/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3",C22H18Cl2FNO3,,,,,,QQODLKZGRKWIFG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.499,269-870-9,68368-39-8,6-chloro-3-nitrotoluene-2-sulphonic acid,3-chloro-2-methyl-6-nitrobenzenesulfonic acid,Cc1c(Cl)ccc(c1S(=O)(=O)O)[N+](=O)[O-],Cc1c(Cl)ccc(c1S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C7H6ClNO5S/c1-4-5(8)2-3-6(9(10)11)7(4)15(12,13)14/h2-3H,1H3,(H,12,13,14)",C7H6ClNO5S,,,,,,IRDVVOKGYRSNHH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.183,281-626-3,84000-70-4,"2,2'-[azobis[[1,1'-biphenyl]-4,4'-diyl]]bis[anthra[2,1-d]oxazole-6,11-dione]","2,2'-(diazene-1,2-diyldibiphenyl-4',4-diyl)bisanthra[2,1-d][1,3]oxazole-6,11-dione",O=C2c1ccc4nc(oc4c1C(=O)c3ccccc23)c5ccc(cc5)c6ccc(cc6)N=Nc7ccc(cc7)c8ccc(cc8)c%11nc%12ccc%10c(C(=O)c9ccccc9C%10=O)c%12o%11,O=C2c1ccc4nc(oc4c1C(=O)c3ccccc23)c5ccc(cc5)c6ccc(cc6)N=Nc7ccc(cc7)c8ccc(cc8)c%11nc%12ccc%10c(C(=O)c9ccccc9C%10=O)c%12o%11,InChI=1/C54H28N4O6/c59-47-37-5-1-3-7-39(37)49(61)45-41(47)25-27-43-51(45)63-53(55-43)33-13-9-29(10-14-33)31-17-21-35(22-18-31)57-58-36-23-19-32(20-24-36)30-11-15-34(16-12-30)54-56-44-28-26-42-46(52(44)64-54)50(62)40-8-4-2-6-38(40)48(42)60/h1-28H,C54H28N4O6,,,,,,BUKOFNJUWJAAPU-UHFFFAOYSA-N,,,,,,,,,,,
100.074.184,281-627-9,84000-71-5,Disodium 4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonate,disodium 4-hydroxy-3-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].COc3cc(c(C)cc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].COc3cc(c(C)cc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C20H20N2O11S3.2Na/c1-12-9-15(17(32-2)11-18(12)34(24,25)8-7-33-36(29,30)31)21-22-16-10-19(35(26,27)28)13-5-3-4-6-14(13)20(16)23;;/h3-6,9-11,23H,7-8H2,1-2H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C20H20N2O11S3.2Na,,,,,,FOZMACGKXZSFID-UHFFFAOYSA-L,,,,,,,,,,,
100.074.186,281-630-5,84000-73-7,"Diheptyl 2,5,8,11-tetraoxadodecanedioate","heptyl 10-oxo-3,6,9,11-tetraoxaoctadec-1-yl carbonate",CCCCCCCOC(=O)OCCOCCOCCOC(=O)OCCCCCCC,CCCCCCCOC(=O)OCCOCCOCCOC(=O)OCCCCCCC,"InChI=1/C22H42O8/c1-3-5-7-9-11-13-27-21(23)29-19-17-25-15-16-26-18-20-30-22(24)28-14-12-10-8-6-4-2/h3-20H2,1-2H3",C22H42O8,,,,,,KQZRBBXZAHUJHP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.860,275-770-6,71649-29-1,2-hydroxy-2-methylpropyl piperazine-1-carboxylate,2-hydroxy-2-methylpropyl piperazine-1-carboxylate,CC(C)(O)COC(=O)N1CCNCC1,CC(C)(O)COC(=O)N1CCNCC1,"InChI=1/C9H18N2O3/c1-9(2,13)7-14-8(12)11-5-3-10-4-6-11/h10,13H,3-7H2,1-2H3",C9H18N2O3,,,,,,BEBULARNHRENRL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.861,275-771-1,71653-06-0,3-hydroxy-DL-aspartic acid,3-hydroxy-L-aspartic acid,N[C@@H](C(O)C(=O)O)C(=O)O,N[C@@H](C(O)C(=O)O)C(=O)O,"InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)",C4H7NO5,,,,,,YYLQUHNPNCGKJQ-PIKHSQJKSA-N,,,,,,,,,,,
100.068.863,275-773-2,71658-22-5,"21-hydroxy-20-methylpregna-1,4-dien-3-one","17-(2-hydroxy-1-methylethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)",CC(CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,CC(CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h8,10,12,14,17-20,23H,4-7,9,11,13H2,1-3H3",C22H32O2,,,,,,FRCNDHZJYALSFS-ZRFCQXGJSA-N,,,,,,,,,,,
100.068.865,275-775-3,71662-10-7,5-(morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]oxazolidin-2-one citrate,"5-(morpholin-4-ylmethyl)-3-{[(5-nitro-2-furyl)methylene]amino}-1,3-oxazolidin-2-one 2-hydroxypropane-1,2,3-tricarboxylate (salt)",OC(=O)C(O)(CC(O)=O)CC(O)=O.[O-][N+](=O)c1ccc(o1)C=NN2CC(OC2=O)CN3CCOCC3,OC(=O)C(O)(CC(O)=O)CC(O)=O.[O-][N+](=O)c1ccc(o1)C=NN2CC(OC2=O)CN3CCOCC3,"InChI=1/C13H16N4O6.C6H8O7/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,7,11H,3-6,8-9H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C13H16N4O6.xC6H8O7,,,,,,CWMPENUVIRIFOX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.872,275-783-7,71662-18-5,"3,7-dimethyloct-6-enyl 4-methylvalerate","3,7-dimethyloct-6-en-1-yl 4-methylpentanoate",CC(C)CCC(=O)OCCC(C)CCC=C(C)C,CC(C)CCC(=O)OCCC(C)CCC=C(C)C,"InChI=1/C16H30O2/c1-13(2)7-6-8-15(5)11-12-18-16(17)10-9-14(3)4/h7,14-15H,6,8-12H2,1-5H3",C16H30O2,,,,,,GABKAFYIQCMTDH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.873,275-784-2,71662-19-6,4-methylphenyl heptanoate,4-methylphenyl heptanoate,CCCCCCC(=O)Oc1ccc(C)cc1,CCCCCCC(=O)Oc1ccc(C)cc1,"InChI=1/C14H20O2/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3",C14H20O2,,,,,,AGWLNVFDVVPLDL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.874,275-785-8,71662-20-9,Cyclohexyl 4-methylvalerate,cyclohexyl 4-methylpentanoate,CC(C)CCC(=O)OC1CCCCC1,CC(C)CCC(=O)OC1CCCCC1,"InChI=1/C12H22O2/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,RVFXIBIYHVOHKF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.540,274-318-5,70106-65-9,Potassium butylnaphthalenesulphonate,potassium 2-butylnaphthalene-1-sulfonate,[K+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-],[K+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C14H16O3S.K/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;+1/p-1",C14H16O3S.K,,,,,,BZCOUYXELMSGFL-UHFFFAOYSA-M,,,,,,,,,,,
100.067.541,274-319-0,70111-81-8,"2,3,6,7-tetraphenylimidazo[1,2-b][1,2,4]triazine","2,3,6,7-tetraphenylimidazo[1,2-b][1,2,4]triazine",c1ccc(cc1)c2nc3nc(c4ccccc4)c(c5ccccc5)n3nc2c6ccccc6,c1ccc(cc1)c2nc3nc(c4ccccc4)c(c5ccccc5)n3nc2c6ccccc6,InChI=1/C29H20N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-33-28(24-19-11-4-12-20-24)27(31-29(33)30-25)23-17-9-3-10-18-23/h1-20H,C29H20N4,,,,,,YDWJRKLTCQTYIH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.544,274-322-7,70124-77-5,Cyano(3-phenoxyphenyl)methyl 2-[4-difluoromethoxy)phenyl]-3-methylbutyrate,cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3,"InChI=1/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3",C26H23F2NO4,,,,,,GBIHOLCMZGAKNG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.556,274-335-8,70145-60-7,Phenylbutazone calcium,-,[Ca+2].CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,[Ca+2].CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,"InChI=1/C19H20N2O2.Ca/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13,17H,2-3,14H2,1H3;/q;+2",C19H19N2O2.1/2Ca,,,,,,OGWKMVUTLOMRBC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.562,274-342-6,70146-13-3,Disodium oxybis[decylbenzenesulphonate],"disodium 3,3'-oxybis(2-decylbenzenesulfonate)",[Na+].[Na+].CCCCCCCCCCc1c(Oc2cccc(c2CCCCCCCCCC)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCc1c(Oc2cccc(c2CCCCCCCCCC)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],"InChI=1/C32H50O7S2.2Na/c1-3-5-7-9-11-13-15-17-21-27-29(23-19-25-31(27)40(33,34)35)39-30-24-20-26-32(41(36,37)38)28(30)22-18-16-14-12-10-8-6-4-2;;/h19-20,23-26H,3-18,21-22H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C32H50O7S2.2Na,,,,,,YEQDPGNXYXJTLM-UHFFFAOYSA-L,,,,,,,,,,,
100.067.567,274-347-3,70161-10-3,"5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methylpropyl]amino]-1-hydroxyethyl]salicylamide monohydrochloride","5-(2-{[3-(1,3-benzodioxol-5-yl)-1-methylpropyl]amino}-1-hydroxyethyl)-2-hydroxybenzamide hydrochloride",Cl.CC(CCc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(c3)C(=O)N,Cl.CC(CCc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(c3)C(=O)N,"InChI=1/C20H24N2O5.ClH/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)22-10-17(24)14-5-6-16(23)15(9-14)20(21)25;/h4-9,12,17,22-24H,2-3,10-11H2,1H3,(H2,21,25);1H",C20H24N2O5.ClH,,,,,,YYWISFWLJSVFOF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.518,275-393-7,71411-87-5,"Aluminium 2,2'-dihydroxy[1,1'-binaphthalene]-3,3'-dicarboxylate","aluminium 2,2'-dihydroxy[1,1'-binaphthalene]-3,3'-dicarboxylate",[Al+3].[Al+3].Oc1c(cc2ccccc2c1c3c(O)c(cc4ccccc34)C(=O)[O-])C(=O)[O-].Oc5c(cc6ccccc6c5c7c(O)c(cc8ccccc78)C(=O)[O-])C(=O)[O-].Oc9c(cc%10ccccc%10c9c%11c(O)c(cc%12ccccc%11%12)C(=O)[O-])C(=O)[O-],[Al+3].[Al+3].Oc1c(cc2ccccc2c1c3c(O)c(cc4ccccc34)C(=O)[O-])C(=O)[O-].Oc5c(cc6ccccc6c5c7c(O)c(cc8ccccc78)C(=O)[O-])C(=O)[O-].Oc9c(cc%10ccccc%10c9c%11c(O)c(cc%12ccccc%11%12)C(=O)[O-])C(=O)[O-],"InChI=1/3C22H14O6.2Al/c3*23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;;/h3*1-10,23-24H,(H,25,26)(H,27,28);;/q;;;2*+3/p-6",C22H14O6.xAl,,,,,,OPEQVGFOPQMUOX-UHFFFAOYSA-H,,,,,,,,,,,
100.068.520,275-395-8,71411-89-7,"4-amino-N-(4-amino-2,5-diethoxyphenyl)benzamide","4-amino-N-(4-amino-2,5-diethoxyphenyl)benzamide",CCOc1cc(NC(=O)c2ccc(N)cc2)c(OCC)cc1N,CCOc1cc(NC(=O)c2ccc(N)cc2)c(OCC)cc1N,"InChI=1/C17H21N3O3/c1-3-22-15-10-14(16(23-4-2)9-13(15)19)20-17(21)11-5-7-12(18)8-6-11/h5-10H,3-4,18-19H2,1-2H3,(H,20,21)",C17H21N3O3,,,,,,NRCOFIYEWYNLRL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.528,275-405-0,71411-97-7,3-bromomethoxyphenol,3-(bromomethoxy)phenol,Oc1cccc(OCBr)c1,Oc1cccc(OCBr)c1,"InChI=1/C7H7BrO2/c8-5-10-7-3-1-2-6(9)4-7/h1-4,9H,5H2",C7H7BrO2,,,,,,DWDIVJYNSCPODR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.531,275-408-7,71412-00-5,8-amino-1-(p-tolyl)naphthalenesulphonic acid,"8-amino-1-(4-methylphenyl)-1,2-dihydronaphthalene-1-sulfonic acid",Cc1ccc(cc1)C2(CC=Cc3cccc(N)c23)S(=O)(=O)O,Cc1ccc(cc1)C2(CC=Cc3cccc(N)c23)S(=O)(=O)O,"InChI=1/C17H17NO3S/c1-12-7-9-14(10-8-12)17(22(19,20)21)11-3-5-13-4-2-6-15(18)16(13)17/h2-10H,11,18H2,1H3,(H,19,20,21)",C17H15NO3S,,,,,,YPNLSUNQJFYQQE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.534,275-411-3,71412-03-8,"N-(1-amino-9,10-dihydro-2-methoxy-9,10-dioxoanthryl)-4-methylbenzenesulphonamide","N-(1-amino-2-methoxy-9,10-dioxo-1,2,9,10-tetrahydroanthracen-1-yl)-4-methylbenzenesulfonamide",COC1C=CC2=C(C(=O)c3ccccc3C2=O)C1(N)NS(=O)(=O)c4ccc(C)cc4,COC1C=CC2=C(C(=O)c3ccccc3C2=O)C1(N)NS(=O)(=O)c4ccc(C)cc4,"InChI=1/C22H20N2O5S/c1-13-7-9-14(10-8-13)30(27,28)24-22(23)18(29-2)12-11-17-19(22)21(26)16-6-4-3-5-15(16)20(17)25/h3-12,18,24H,23H2,1-2H3",C22H18N2O5S,,,,,,BWBJUMVBIUPPOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.633,273-318-2,68956-79-6,"Quaternary ammonium compounds, C12-18-alkyl[(ethylphenyl)methyl]dimethyl, chlorides","N-(4-ethylbenzyl)-N,N-dimethyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(CC)cc1,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(CC)cc1,"InChI=1/C25H46N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-26(3,4)23-25-20-18-24(6-2)19-21-25;/h18-21H,5-17,22-23H2,1-4H3;1H/q+1;/p-1",-,,,,,,QPDOMSFIXQWROY-UHFFFAOYSA-M,,,,,,,,,,,
100.066.645,273-331-3,68957-32-4,N-ethyl-N-[(tridecafluorohexyl)sulphonyl]glycine,N-ethyl-N-[(tridecafluorohexyl)sulfonyl]glycine,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H8F13NO4S/c1-2-24(3-4(25)26)29(27,28)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h2-3H2,1H3,(H,25,26)",C10H8F13NO4S,,,,,,ISFCQODURJEALJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.647,273-333-4,68957-35-7,"Formic acid, compound with 3-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-N-[3-(dimethylamino)propyl]propionamide (1:1)","formic acid - 3-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)-N-[3-(dimethylamino)propyl]propanamide (1:1)",CN(C)CCCNC(=O)CCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O,CN(C)CCCNC(=O)CCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O,"InChI=1/C23H29ClN4O3S.CH2O2/c1-27(2)15-3-14-25-23(29)13-17-32(30,31)21-10-8-20(9-11-21)28-16-12-22(26-28)18-4-6-19(24)7-5-18;2-1-3/h4-11H,3,12-17H2,1-2H3,(H,25,29);1H,(H,2,3)",C23H29ClN4O3S.CH2O2,,,,,,DOQBXOUTLQRLFL-UHFFFAOYSA-N,,,,,,,,,,,
100.066.651,273-338-1,68957-41-5,2-amino-5-(4-cyclohexylphenoxy)benzenesulphonic acid,2-amino-5-(4-cyclohexylphenoxy)benzenesulfonic acid,Nc1ccc(Oc2ccc(cc2)C3CCCCC3)cc1S(=O)(=O)O,Nc1ccc(Oc2ccc(cc2)C3CCCCC3)cc1S(=O)(=O)O,"InChI=1/C18H21NO4S/c19-17-11-10-16(12-18(17)24(20,21)22)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5,19H2,(H,20,21,22)",C18H21NO4S,,,,,,MRGHMZUKQOHAFR-UHFFFAOYSA-N,,,,,,,,,,,
100.066.654,273-341-8,68957-49-3,"O-[1-(tert-butyl)-5-chloro-1H-1,2,4-triazol-3-yl] O,O-diethyl thiophosphate","O-(1-tert-butyl-5-chloro-1H-1,2,4-triazol-3-yl) O,O-diethyl thiophosphate",CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)(C)C,CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)(C)C,"InChI=1/C10H19ClN3O3PS/c1-6-15-18(19,16-7-2)17-9-12-8(11)14(13-9)10(3,4)5/h6-7H2,1-5H3",C10H19ClN3O3PS,,,,,,MBMDOOLFVVYKFT-UHFFFAOYSA-N,,,,,,,,,,,
100.066.658,273-346-5,68957-53-9,Ethyl N-ethyl-N-[(tridecafluorohexyl)sulphonyl]glycinate,ethyl N-ethyl-N-[(tridecafluorohexyl)sulfonyl]glycinate,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H12F13NO4S/c1-3-26(5-6(27)30-4-2)31(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h3-5H2,1-2H3",C12H12F13NO4S,,,,,,CTKLJYAZSQZYAO-UHFFFAOYSA-N,,,,,,,,,,,
100.066.659,273-347-0,68957-54-0,Ethyl N-ethyl-N-[(pentadecafluoroheptyl)sulphonyl]glycinate,ethyl N-ethyl-N-[(pentadecafluoroheptyl)sulfonyl]glycinate,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H12F15NO4S/c1-3-29(5-6(30)33-4-2)34(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h3-5H2,1-2H3",C13H12F15NO4S,,,,,,SGKAKWJMQQSXDU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.886,276-898-5,72828-96-7,[2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate,"2-[{4-[(5-chloro-2-cyanophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]-N,N,N-trimethylethanaminium hydrogen sulfate",[H+].N#Cc2ccc(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C.[O-]S([O-])(=O)=O,[H+].N#Cc2ccc(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C.[O-]S([O-])(=O)=O,"InChI=1/C21H27ClN5.H2O4S.H2/c1-6-26(11-12-27(3,4)5)19-9-10-20(16(2)13-19)24-25-21-14-18(22)8-7-17(21)15-23;1-5(2,3)4;/h7-10,13-14H,6,11-12H2,1-5H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C21H27ClN5.HO4S,,,,,,ZENVJICDUGVOQK-UHFFFAOYSA-M,,,,,,,,,,,
100.069.889,276-902-5,72829-10-8,"2',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(CC)CC)c1,CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(CC)CC)c1,"InChI=1/C28H30N2O3/c1-5-29(6-2)19-14-16-25-24(17-19)28(22-12-10-9-11-21(22)27(31)33-28)23-15-13-20(18-26(23)32-25)30(7-3)8-4/h9-18H,5-8H2,1-4H3",C29H32N2O3,,,,,,VZVZCIMEWLCMAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.892,276-905-1,72829-13-1,"Disodium p-[4-[[4-[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 4-[3-methyl-4-({4-[(4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoyl)amino]phenyl}diazenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=NC5C(\\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C6=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C6=O,"InChI=1/C33H27N9O9S2.2Na/c1-19-29(32(44)41(39-19)25-11-15-27(16-12-25)52(46,47)48)37-35-23-5-3-21(4-6-23)31(43)34-22-7-9-24(10-8-22)36-38-30-20(2)40-42(33(30)45)26-13-17-28(18-14-26)53(49,50)51;;/h3-18,29-30H,1-2H3,(H,34,43)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2",C33H27N9O9S2.2Na,,,,,,ZAKDIUJDZSMNSX-UHFFFAOYSA-L,,,,,,,,,,,
100.069.894,276-907-2,72829-17-5,1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl]-1H-benzimidazolium bromide,"1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)-2-furyl]-2,3-dihydro-1H-3,1-benzimidazol-1-ium bromide",[Br-].CCOC(=O)C[NH+]1C(N(C)c2ccccc12)c3oc(cc3)c4ccn(n4)c5ccccc5,[Br-].CCOC(=O)C[NH+]1C(N(C)c2ccccc12)c3oc(cc3)c4ccn(n4)c5ccccc5,"InChI=1/C25H24N4O3.BrH/c1-3-31-24(30)17-28-21-12-8-7-11-20(21)27(2)25(28)23-14-13-22(32-23)19-15-16-29(26-19)18-9-5-4-6-10-18;/h4-16,25H,3,17H2,1-2H3;1H",C25H23N4O3.Br,,,,,,VOOSKLSHLGPBBM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.895,276-908-8,72829-21-1,"[3-[[4-[(2,4-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]propyl]trimethylammonium acetate","3-({4-[(2,4-dimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-N,N,N-trimethylpropan-1-aminium acetate",CC(=O)[O-].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)c(C)c1,CC(=O)[O-].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)c(C)c1,"InChI=1/C28H31N3O2.C2H4O2/c1-18-11-12-22(19(2)17-18)30-24-14-13-23(29-15-8-16-31(3,4)5)25-26(24)28(33)21-10-7-6-9-20(21)27(25)32;1-2(3)4/h6-7,9-14,17H,8,15-16H2,1-5H3,(H-,29,30,32,33);1H3,(H,3,4)",C28H32N3O2.C2H3O2,,,,,,RITBQYTUANFUOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.906,276-920-3,72829-39-1,"Sodium 1-amino-9,10-dihydro-4-[[3-[(hydroxyacetyl)amino]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-{[3-(glycoloylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].OCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O,[Na+].OCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O,"InChI=1/C22H17N3O7S.Na/c23-20-16(33(30,31)32)9-15(24-11-4-3-5-12(8-11)25-17(27)10-26)18-19(20)22(29)14-7-2-1-6-13(14)21(18)28;/h1-9,24,26H,10,23H2,(H,25,27)(H,30,31,32);/q;+1/p-1",C22H17N3O7S.Na,,,,,,QVPXAKZCTGSXNV-UHFFFAOYSA-M,,,,,,,,,,,
100.069.908,276-922-4,72829-41-5,"Sodium 1-amino-9,10-dihydro-4-[[4-[(hydroxyacetyl)amino]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-{[4-(glycoloylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)CO)cc4)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)CO)cc4)cc1S(=O)(=O)[O-],"InChI=1/C22H17N3O7S.Na/c23-20-16(33(30,31)32)9-15(24-11-5-7-12(8-6-11)25-17(27)10-26)18-19(20)22(29)14-4-2-1-3-13(14)21(18)28;/h1-9,24,26H,10,23H2,(H,25,27)(H,30,31,32);/q;+1/p-1",C22H17N3O7S.Na,,,,,,XKTMLNDGXXMUDS-UHFFFAOYSA-M,,,,,,,,,,,
100.069.909,276-924-5,72829-42-6,"Sodium 4-[[4-(acetylamino)cyclohexyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 4-[(4-acetamidocyclohexyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CC(=O)NC1CCC(CC1)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[Na+].CC(=O)NC1CCC(CC1)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C22H23N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-5,10,12-13,25H,6-9,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1",C22H23N3O6S.Na,,,,,,YFJNHAXGNHFBTF-UHFFFAOYSA-M,,,,,,,,,,,
100.069.913,276-928-7,72845-36-4,3-methylpent-3-en-1-yl benzoate,3-methylpent-3-en-1-yl benzoate,O=C(OCCC(C)=CC)c1ccccc1,O=C(OCCC(C)=CC)c1ccccc1,"InChI=1/C13H16O2/c1-3-11(2)9-10-15-13(14)12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3",C13H16O2,,,,,,HXFDZDVKIPFWFE-UHFFFAOYSA-N,,,,,,,,,,,
100.074.191,281-635-2,84000-78-2,"1-[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]pyridinium thiocyanate","1-[2-(ethyl{4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)ethyl]pyridinium thiocyanate",[S-]C#N.CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3nc(ns3)c4ccccc4,[S-]C#N.CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3nc(ns3)c4ccccc4,"InChI=1/C23H23N6S.CHNS/c1-2-29(18-17-28-15-7-4-8-16-28)21-13-11-20(12-14-21)25-26-23-24-22(27-30-23)19-9-5-3-6-10-19;2-1-3/h3-16H,2,17-18H2,1H3;3H/q+1;/p-1",C23H23N6S.CNS,,,,,,KUECKJHMALUIRD-UHFFFAOYSA-M,,,,,,,,,,,
100.074.195,281-639-4,84000-83-9,1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydrogen sulphate,1-{2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium hydrogen sulfate,[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3,[H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3,"InChI=1/C22H21N6O2.H2O4S.H2/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;1-5(2,3)4;/h3-13,16H,2,14-15H2,1H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C22H21N6O2.HO4S,,,,,,IEVXLBLIHLMRBX-UHFFFAOYSA-M,,,,,,,,,,,
100.074.203,281-648-3,84000-92-0,(2-butoxyethoxy)methanol,(2-butoxyethoxy)methanol,CCCCOCCOCO,CCCCOCCOCO,"InChI=1/C7H16O3/c1-2-3-4-9-5-6-10-7-8/h8H,2-7H2,1H3",C7H16O3,,,,,,CUZYKBDJOKMPFH-UHFFFAOYSA-N,,,,,,,,,,,
100.074.205,281-650-4,84000-94-2,"Bis[3-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)","bis[3-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium] tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.CN(Cc1ccccc1)c2ccc(cc2)N=N\\C3=N\\[NH+](C)CN3C.CN(Cc1ccccc1)c2ccc(cc2)N=N\\C3=N\\[NH+](C)CN3C,Cl[Zn-2](Cl)(Cl)Cl.CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C.CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C,"InChI=1/2C18H22N6.4ClH.Zn/c2*1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;;;;;/h2*4-12H,13-14H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C18H22N6.Cl4Zn/c2*1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;1-5(2,3)4/h2*4-12H,13-14H2,1-3H3;/q;;-2/p+2",C18H21N6.1/2Cl4Zn,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17720,https://echa.europa.eu/substance-information/-/substanceinfo/100.074.205,WQMGVKXKDCXADC-UHFFFAOYSA-L,,,,,,,,,,,
100.074.207,281-653-0,84000-96-4,"Oxalic acid, ammonium sodium salt",ammonium sodium oxalate,[NH4+].[Na+].[O-]C(=O)C(=O)[O-],[NH4+].[Na+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.H3N.Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H3;/q;;+1/p-1",C2H2O4.xH3N.xNa,,,,,,ZKINKNZKTUUXLV-UHFFFAOYSA-M,,,,,,,,,,,
100.073.582,280-963-3,83817-63-4,4-[(dimethoxymethylsilyl)oxy]-3-methoxybenzaldehyde,4-{[dimethoxy(methyl)silyl]oxy}-3-methoxybenzaldehyde,COc1cc(C=O)ccc1O[Si](C)(OC)OC,COc1cc(C=O)ccc1O[Si](C)(OC)OC,"InChI=1/C11H16O5Si/c1-13-11-7-9(8-12)5-6-10(11)16-17(4,14-2)15-3/h5-8H,1-4H3",C11H16O5Si,,,,,,OMWMVXLMZPYUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.590,280-972-2,83817-71-4,"Tris[(1,1-dimethyl-2-propynyl)oxy]methylsilane","{tris[(1,1-dimethylprop-2-yn-1-yl)oxy]methyl}silane",CC(C)(OC([SiH3])(OC(C)(C)C#C)OC(C)(C)C#C)C#C,CC(C)(OC([SiH3])(OC(C)(C)C#C)OC(C)(C)C#C)C#C,"InChI=1/C16H24O3Si/c1-10-13(4,5)17-16(20,18-14(6,7)11-2)19-15(8,9)12-3/h1-3H,4-9,20H3",C16H24O3Si,,,,,,JDZGPLLIFJHIST-UHFFFAOYSA-N,,,,,,,,,,,
100.073.593,280-975-9,83817-74-7,"Dimethoxymethyl[(1,1,5-trimethylhept-6-enyl)oxy]silane","(dimethoxymethyl)[(1,1,5-trimethylhept-6-en-1-yl)oxy]silane",COC(OC)[SiH2]OC(C)(C)CCCC(C)C=C,COC(OC)[SiH2]OC(C)(C)CCCC(C)C=C,"InChI=1/C13H28O3Si/c1-7-11(2)9-8-10-13(3,4)16-17-12(14-5)15-6/h7,11-12H,1,8-10,17H2,2-6H3",C13H28O3Si,,,,,,BGAPAFBDEXBTOB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.603,280-986-9,83833-13-0,1-naphthyl a-D-mannopyranoside,1-naphthyl alpha-D-mannopyranoside,OC[C@H]1O[C@H](Oc2cccc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](Oc2cccc3ccccc23)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2",C16H18O6,,,,,,CVAOQMBKGUKOIZ-OWYFMNJBSA-N,,,,,,,,,,,
100.073.607,280-991-6,83833-17-4,2'-(4-methoxybenzoyl)-1-naphthohydrazide,N'-(4-methoxybenzoyl)-1-naphthohydrazide,COc1ccc(cc1)C(=O)NNC(=O)c2cccc3ccccc23,COc1ccc(cc1)C(=O)NNC(=O)c2cccc3ccccc23,"InChI=1/C19H16N2O3/c1-24-15-11-9-14(10-12-15)18(22)20-21-19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)",C19H16N2O3,,,,,,MTZHJEBRPLTJNT-UHFFFAOYSA-N,,,,,,,,,,,
100.073.617,281-003-6,83833-28-7,"Decyl 5-butyl-5-[[3-(decyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate","decyl 5-butyl-5-{[3-(decyloxy)-3-oxopropyl]sulfanyl}-9-oxo-10-oxa-4,6-dithia-5-stannaicosan-1-oate",CCCCCCCCCCOC(=O)CCS[Sn](CCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CCS[Sn](CCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC,"InChI=1/3C13H26O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;1-3-4-2;/h3*16H,2-12H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC43H84O6S3Sn/c1-5-9-13-16-19-22-25-28-34-47-41(44)31-37-50-53(40-12-8-4,51-38-32-42(45)48-35-29-26-23-20-17-14-10-6-2)52-39-33-43(46)49-36-30-27-24-21-18-15-11-7-3/h5-40H2,1-4H3",C43H84O6S3Sn,,,,,,FSVNBJVINJUKOL-UHFFFAOYSA-K,,,,,,,,,,,
100.072.349,279-608-5,80867-38-5,"2,4,6-trimethylnonane-4-thiol","2,4,6-trimethylnonane-4-thiol",CCCC(C)CC(C)(S)CC(C)C,CCCC(C)CC(C)(S)CC(C)C,"InChI=1/C12H26S/c1-6-7-11(4)9-12(5,13)8-10(2)3/h10-11,13H,6-9H2,1-5H3",C12H26S,,,,,,UHWKUFSXTLGDBC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.569,274-349-4,70161-14-7,"Trisodium 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,5-trisulphonate","trisodium 7-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazenyl)naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Nc4nc(Nc3cc(NC(N)=O)c(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4,[Na+].[Na+].[Na+].Nc4nc(Nc3cc(NC(N)=O)c(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4,"InChI=1/C20H16ClN9O10S3.3Na/c21-17-26-18(22)28-20(27-17)24-8-1-2-13(14(4-8)25-19(23)31)30-29-9-3-11-12(15(5-9)42(35,36)37)6-10(41(32,33)34)7-16(11)43(38,39)40;;;/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28);;;/q;3*+1/p-3",C20H16ClN9O10S3.3Na,,,,,,ANYMKDSTEIXUDS-UHFFFAOYSA-K,,,,,,,,,,,
100.067.729,274-526-6,70280-88-5,"2-(dimethylamino)-1,1-dimethylethyl diphenylglycolate hydrochloride","2-(dimethylamino)-1,1-dimethylethyl hydroxy(diphenyl)acetate hydrochloride",Cl.CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c2ccccc2,Cl.CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C20H25NO3.ClH/c1-19(2,15-21(3)4)24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,23H,15H2,1-4H3;1H",C20H25NO3.ClH,,,,,,QRHDDSUGMIAILK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.508,276-481-8,72214-18-7,"Trisodium 1-amino-4-[[3-[[4-chloro-6-[(sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-{[3-({4-chloro-6-[(2-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2,4,6-trimethyl-5-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)[O-])n5)S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)[O-])n5)S(=O)(=O)[O-],"InChI=1/C32H26ClN7O11S3.3Na/c1-13-25(35-19-12-21(53(46,47)48)24(34)23-22(19)27(41)16-8-4-5-9-17(16)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)36-18-10-6-7-11-20(18)52(43,44)45;;;/h4-12,35H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,36,37,38,39,40);;;/q;3*+1/p-3",C32H26ClN7O11S3.3Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16966,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.508,GWZGQKXBZOLBKS-UHFFFAOYSA-K,,,,,,,,,,,
100.069.511,276-484-4,72214-23-4,"1,1,5-trimethylhepta-4,6-dienyl acetate","1,1,5-trimethylhepta-4,6-dien-1-yl acetate",O=C(C)OC(C)(C)CCC=C(C)C=C,O=C(C)OC(C)(C)CCC=C(C)C=C,"InChI=1/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,8H,1,7,9H2,2-5H3",C12H20O2,,,,,,JAVBVYXSVDXAQK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.662,271-149-9,68516-35-8,Nonacos-14-yne,nonacos-14-yne,CCCCCCCCCCCCCCC#CCCCCCCCCCCCCC,CCCCCCCCCCCCCCC#CCCCCCCCCCCCCC,"InChI=1/C29H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",C29H56,,,,,,JYLPUGDQADDKAY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.678,271-167-7,68516-62-1,"Dipotassium 2,3-dihydro-3-oxo-2-[(4-sulphonatophenyl)methylene]benzo[b]thiophene-6-sulphonate","dipotassium 3-oxo-2-(4-sulfonatobenzylidene)-2,3-dihydro-1-benzothiophene-6-sulfonate",[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)C=C3Sc2cc(ccc2C3=O)S([O-])(=O)=O,[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)C=C3Sc2cc(ccc2C3=O)S([O-])(=O)=O,"InChI=1/C15H10O7S3.2K/c16-15-12-6-5-11(25(20,21)22)8-13(12)23-14(15)7-9-1-3-10(4-2-9)24(17,18)19;;/h1-8H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C15H10O7S3.2K,,,,,,AKEVPEHQJIEXSL-UHFFFAOYSA-L,,,,,,,,,,,
100.064.684,271-174-5,68516-71-2,6-(isopropyl)-3-methylcyclohex-2-en-1-yl formate,6-isopropyl-3-methylcyclohex-2-en-1-yl formate,CC(C)C1CCC(=CC1OC=O)C,CC(C)C1CCC(=CC1OC=O)C,"InChI=1/C11H18O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h6-8,10-11H,4-5H2,1-3H3",C11H18O2,,,,,,DGUJSWWZSWEZCR-UHFFFAOYSA-N,,,,,,,,,,,
100.064.689,271-179-2,68516-76-7,"1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]anthraquinone","1-[(2,4-dimethylphenyl)amino]-4-(mesitylamino)-9,10-anthraquinone",Cc1ccc(Nc2ccc(Nc3c(C)cc(C)cc3C)c4C(=O)c5ccccc5C(=O)c24)c(C)c1,Cc1ccc(Nc2ccc(Nc3c(C)cc(C)cc3C)c4C(=O)c5ccccc5C(=O)c24)c(C)c1,"InChI=1/C31H28N2O2/c1-17-10-11-24(19(3)14-17)32-25-12-13-26(33-29-20(4)15-18(2)16-21(29)5)28-27(25)30(34)22-8-6-7-9-23(22)31(28)35/h6-16,32-33H,1-5H3",C31H28N2O2,,,,,,DDWVBJNBOANWJV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.799,272-400-5,68818-69-9,"2-(hydroxymethyl)-2-[[(1-oxohexadecyl)oxy]methyl]propane-1,3-diyl dipalmitate","3-hydroxy-2,2-bis[(palmitoyloxy)methyl]propyl palmitate (non-preferred name)",CCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C53H102O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50(55)58-47-53(46-54,48-59-51(56)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)49-60-52(57)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54H,4-49H2,1-3H3",C53H102O7,,,,,,DJZZLZQPOWWUAH-UHFFFAOYSA-N,,,,,,,,,,,
100.066.660,273-348-6,68957-55-1,Trimethyl-3-[[(undecafluoropentyl)sulphonyl]amino]propylammonium chloride,"N,N,N-trimethyl-3-{[(undecafluoropentyl)sulfonyl]amino}propan-1-aminium chloride",[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H16F11N2O2S.ClH/c1-24(2,3)6-4-5-23-27(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20;/h23H,4-6H2,1-3H3;1H/q+1;/p-1",C11H16F11N2O2S.Cl,,,,,,RHGJXQKTIMJLCF-UHFFFAOYSA-M,,,,,,,,,,,
100.067.140,273-875-1,69114-85-8,"8-benzyloxy-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid","8-(benzyloxy)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid",OC(=O)c1ccc(OCc2ccccc2)c3OCCOc13,OC(=O)c1ccc(OCc2ccccc2)c3OCCOc13,"InChI=1/C16H14O5/c17-16(18)12-6-7-13(15-14(12)19-8-9-20-15)21-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,18)",C16H14O5,,,,,,NYUOYBBDYFPVSL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.546,275-424-4,71412-19-6,[[(aminocarbonyl)amino]carbonyl]oxamide,N-(carbamoylcarbamoyl)ethanediamide,NC(=O)NC(=O)NC(=O)C(=O)N,NC(=O)NC(=O)NC(=O)C(=O)N,"InChI=1/C4H6N4O4/c5-1(9)2(10)7-4(12)8-3(6)11/h(H2,5,9)(H4,6,7,8,10,11,12)",C4H6N4O4,,,,,,XYISUGIJDGQPCY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.549,275-428-6,71412-22-1,"2,3-dihydro-4-quinolone hydrochloride","2,3-dihydroquinolin-4(1H)-one hydrochloride",Cl.O=C1CCNc2ccccc12,Cl.O=C1CCNc2ccccc12,"InChI=1/C9H9NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-4,10H,5-6H2;1H",C9H9NO.ClH,,,,,,JHCAJDYKLWBXDF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.552,275-431-2,71412-25-4,"4-cyano-2,6-diiodophenyl butyrate","4-cyano-2,6-diiodophenyl butyrate",CCCC(=O)Oc1c(I)cc(cc1I)C#N,CCCC(=O)Oc1c(I)cc(cc1I)C#N,"InChI=1/C11H9I2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3",C11H9I2NO2,,,,,,AKKGPRGLGMMLBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.555,275-434-9,71412-37-8,Disodium 6-amino-4-hydroxy-5-[[4-[[[(4-methylcyclohexyl)oxy]carbonyl]amino]-2-sulphonatophenyl]azo]naphthalene-2-sulphonate,disodium 6-amino-4-hydroxy-5-{[4-({[(4-methylcyclohexyl)oxy]carbonyl}amino)-2-sulfonatophenyl]diazenyl}naphthalene-2-sulfonate,[Na+].[Na+].O=C(OC1CCC(C)CC1)Nc4ccc(N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].O=C(OC1CCC(C)CC1)Nc4ccc(N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C24H26N4O9S2.2Na/c1-13-2-6-16(7-3-13)37-24(30)26-15-5-9-19(21(11-15)39(34,35)36)27-28-23-18(25)8-4-14-10-17(38(31,32)33)12-20(29)22(14)23;;/h4-5,8-13,16,29H,2-3,6-7,25H2,1H3,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C24H26N4O9S2.2Na,,,,,,HMHYZFWNDSJOSC-UHFFFAOYSA-L,,,,,,,,,,,
100.068.556,275-435-4,71412-38-9,1-amino-5-hydroxy-4-[(2-methoxyphenyl)amino]-8-nitroanthraquinone,"1-amino-5-hydroxy-4-[(2-methoxyphenyl)amino]-8-nitro-9,10-anthraquinone",COc1ccccc1Nc2ccc(N)c3C(=O)c4c(C(=O)c23)c(O)ccc4[N+](=O)[O-],COc1ccccc1Nc2ccc(N)c3C(=O)c4c(C(=O)c23)c(O)ccc4[N+](=O)[O-],"InChI=1/C21H15N3O6/c1-30-15-5-3-2-4-11(15)23-12-7-6-10(22)16-17(12)21(27)19-14(25)9-8-13(24(28)29)18(19)20(16)26/h2-9,23,25H,22H2,1H3",C21H15N3O6,,,,,,BKWLXQMMPYJEDE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.563,275-443-8,71436-84-5,"Butyl 3,3-bis[(1,1-dimethylethyl)dioxy]valerate","butyl 3,3-bis(tert-butylperoxy)pentanoate",CCCCOC(=O)CC(CC)(OOC(C)(C)C)OOC(C)(C)C,CCCCOC(=O)CC(CC)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1/C17H34O6/c1-9-11-12-19-14(18)13-17(10-2,22-20-15(3,4)5)23-21-16(6,7)8/h9-13H2,1-8H3",C17H34O6,,,,,,XNRJBTFAPRFYIA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.566,275-446-4,71436-87-8,2-(butylthio)dodecanoic acid,2-(butylsulfanyl)dodecanoic acid,CCCCCCCCCCC(SCCCC)C(=O)O,CCCCCCCCCCC(SCCCC)C(=O)O,"InChI=1/C16H32O2S/c1-3-5-7-8-9-10-11-12-13-15(16(17)18)19-14-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)",C16H32O2S,,,,,,COPIFQGFBVOZOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.570,275-451-1,71436-92-5,Amino(dimethylamino)benzenediazonium tetrachlorozincate (2:1),bis[2-amino-3-(dimethylamino)benzenediazonium] tetrachlorozincate(2-),CN(C)c1cccc([N+]#N)c1N.CN(C)c2cccc([N+]#N)c2N.Cl[Zn-2](Cl)(Cl)Cl,CN(C)c1cccc([N+]#N)c1N.CN(C)c2cccc([N+]#N)c2N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C8H11N4.4ClH.Zn/c2*1-12(2)7-5-3-4-6(11-10)8(7)9;;;;;/h2*3-5H,9H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C8H11N4.Cl4Zn/c2*1-12(2)7-5-3-4-6(11-10)8(7)9;1-5(2,3)4/h2*3-5H,9H2,1-2H3;/q2*+1;-2",C8H11N4.1/2Cl4Zn,,,,,,XJRDNAKNHRIDSJ-UHFFFAOYSA-J,,,,,,,,,,,
100.068.571,275-452-7,71436-93-6,"4-aminobenzoyl-5-hydroxynaphthalene-1,7-disulphonic acid","4-(2-aminobenzoyl)-5-hydroxynaphthalene-1,7-disulfonic acid",Nc1ccccc1C(=O)c2ccc(c3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,Nc1ccccc1C(=O)c2ccc(c3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H13NO8S2/c18-13-4-2-1-3-10(13)17(20)11-5-6-15(28(24,25)26)12-7-9(27(21,22)23)8-14(19)16(11)12/h1-8,19H,18H2,(H,21,22,23)(H,24,25,26)",C17H13NO8S2,,,,,,CKMHKPRVONWPAY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.572,275-453-2,71436-94-7,"4-aminobenzoyl-5-hydroxynaphthalene-2,7-disulphonic acid","4-(2-aminobenzoyl)-5-hydroxynaphthalene-2,7-disulfonic acid",Nc1ccccc1C(=O)c2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,Nc1ccccc1C(=O)c2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H13NO8S2/c18-14-4-2-1-3-12(14)17(20)13-7-10(27(21,22)23)5-9-6-11(28(24,25)26)8-15(19)16(9)13/h1-8,19H,18H2,(H,21,22,23)(H,24,25,26)",C17H13NO8S2,,,,,,JNRFRKCZCWQHPS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.011,272-633-2,68900-82-3,(E)-diisobutyl(4-methylpent-1-enyl)aluminium,diisobutyl(4-methylpent-1-en-1-yl)aluminum,CC(C)C\\C=C\\[Al](CC(C)C)CC(C)C,CC(C)C\C=C\[Al](CC(C)C)CC(C)C,"InChI=1/C6H11.2C4H9.Al/c1-4-5-6(2)3;2*1-4(2)3;/h1,4,6H,5H2,2-3H3;2*4H,1H2,2-3H3;/rC14H29Al/c1-12(2)8-7-9-15(10-13(3)4)11-14(5)6/h7,9,12-14H,8,10-11H2,1-6H3",C14H29Al,,,,,,WPIPUXPRJZVKFN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.012,272-634-8,68900-83-4,(E)-pent-1-enyldipropylaluminium,pent-1-en-1-yl(dipropyl)aluminum,CCC\\C=C\\[Al](CCC)CCC,CCC\C=C\[Al](CCC)CCC,"InChI=1/C5H9.2C3H7.Al/c1-3-5-4-2;2*1-3-2;/h1,3H,4-5H2,2H3;2*1,3H2,2H3;/rC11H23Al/c1-4-7-8-11-12(9-5-2)10-6-3/h8,11H,4-7,9-10H2,1-3H3",C11H23Al,,,,,,KWBNSIPWTCSVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.066.019,272-642-1,68900-90-3,Bromotrioctylsilane,bromo(trioctyl)silane,CCCCCCCC[Si](Br)(CCCCCCCC)CCCCCCCC,CCCCCCCC[Si](Br)(CCCCCCCC)CCCCCCCC,"InChI=1/C24H51BrSi/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",C24H51BrSi,,,,,,GRMBPTONJVRIHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.041,272-666-2,68901-23-5,"Propane-1,2,3-triyl tris(cyclohexane-1,2-dicarboxylate)","2,2'-[(3-{[(2-carboxycyclohexyl)carbonyl]oxy}propane-1,2-diyl)bis(oxycarbonyl)]dicyclohexanecarboxylate",OC(=O)C1CCCCC1C(=O)OCC(COC(=O)C2CCCCC2C(=O)[O-])OC(=O)C3CCCCC3C(=O)[O-],OC(=O)C1CCCCC1C(=O)OCC(COC(=O)C2CCCCC2C(=O)[O-])OC(=O)C3CCCCC3C(=O)[O-],"InChI=1/C27H38O12/c28-22(29)16-7-1-4-10-19(16)25(34)37-13-15(39-27(36)21-12-6-3-9-18(21)24(32)33)14-38-26(35)20-11-5-2-8-17(20)23(30)31/h15-21H,1-14H2,(H,28,29)(H,30,31)(H,32,33)/p-2",C27H38O12,,,,,,IZWUWCWNWYLTHQ-UHFFFAOYSA-L,,,,,,,,,,,
100.067.768,274-569-0,70321-85-6,Potassium 4-acetoacetylaminobenzenesulphonate,potassium 4-(acetoacetylamino)benzenesulfonate,[K+].CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)[O-],[K+].CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C10H11NO5S.K/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16);/q;+1/p-1",C10H11NO5S.K,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17040,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.768,FNLKZYBTJKUMQM-UHFFFAOYSA-M,,,,,,,,,,,
100.067.775,274-576-9,70353-45-6,"1-bicyclo[2.2.1]hept-5-en-2-ylpentane-1,4-dione","1-bicyclo[2.2.1]hept-5-en-2-ylpentane-1,4-dione",CC(=O)CCC(=O)C1CC2CC1C=C2,CC(=O)CCC(=O)C1CC2CC1C=C2,"InChI=1/C12H16O2/c1-8(13)2-5-12(14)11-7-9-3-4-10(11)6-9/h3-4,9-11H,2,5-7H2,1H3",C12H16O2,,,,,,SOUKUPRSHRMDND-UHFFFAOYSA-N,,,,,,,,,,,
100.067.781,274-583-7,70356-32-0,"Benzene, C14-26-alkyl derivs.",nonadecylbenzene,CCCCCCCCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCCCCCCCc1ccccc1,"InChI=1/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3",-,,,,,,SHWJJBRTHGGZBE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.790,274-593-1,70398-33-3,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",[H+].[H+].[O-]P([O-])([O-])=O.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[H+].[H+].[O-]P([O-])([O-])=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H23N3O.H3O4P.2H2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-5(2,3)4;;/h5-12,14H,13H2,1-4H3;(H3,1,2,3,4);2*1H/q;;2*+1/p-2",C20H24N3O.H2O4P,,,,,,RMKBLFYEVKUBSH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.792,274-595-2,70401-32-0,"2-methyl-5H-dibenz(b,f)azepine-5-carboxamide","2-methyl-5H-dibenzo[b,f]azepine-5-carboxamide",Cc1ccc2N(C(=O)N)c3ccccc3C=Cc2c1,Cc1ccc2N(C(=O)N)c3ccccc3C=Cc2c1,"InChI=1/C16H14N2O/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)18(15)16(17)19/h2-10H,1H3,(H2,17,19)",C16H14N2O,,,,,,WLUGVRXHDCWYLA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.794,274-597-3,70416-82-9,"Sodium 1-amino-9,10-dihydro-4-[[4-(1,1-dimethylethyl)-2-methylphenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-tert-butyl-2-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1cc(ccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])C(C)(C)C,[Na+].Cc1cc(ccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])C(C)(C)C,"InChI=1/C25H24N2O5S.Na/c1-13-11-14(25(2,3)4)9-10-17(13)27-18-12-19(33(30,31)32)22(26)21-20(18)23(28)15-7-5-6-8-16(15)24(21)29;/h5-12,27H,26H2,1-4H3,(H,30,31,32);/q;+1/p-1",C25H24N2O5S.Na,,,,,,GPELPEMTBJRDAD-UHFFFAOYSA-M,,,,,,,,,,,
100.067.797,274-600-8,70421-89-5,Hydroxy(hydroxydimethylphenyl)dimethylbenzene,"3,4,5',6'-tetramethylbiphenyl-2,2'-diol",Cc1ccc(c(O)c1C)c2c(C)c(C)ccc2O,Cc1ccc(c(O)c1C)c2c(C)c(C)ccc2O,"InChI=1/C16H18O2/c1-9-6-8-14(17)15(11(9)3)13-7-5-10(2)12(4)16(13)18/h5-8,17-18H,1-4H3",C16H18O2,,,,,,YDAFRMFFWUGAHO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.798,274-601-3,70424-76-9,"3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2-methanol","(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methanol",CC1=CCC2C(C1CO)C2(C)C,CC1=CCC2C(C1CO)C2(C)C,"InChI=1/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h4,8-10,12H,5-6H2,1-3H3",C11H18O,,,,,,QNQLBLWLFHHSMS-UHFFFAOYSA-N,,,,,,,,,,,
100.069.918,276-933-4,72845-77-3,3-methylbutyl phenoxyacetate,3-methylbutyl phenoxyacetate,CC(C)CCOC(=O)COc1ccccc1,CC(C)CCOC(=O)COc1ccccc1,"InChI=1/C13H18O3/c1-11(2)8-9-15-13(14)10-16-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",C13H18O3,,,,,,LXKVZYGRRQYQRO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.354,279-613-2,80879-63-6,"1,5-dideoxy-1,5-[[2-[4-(ethoxycarbonyl)phenoxy]ethyl]imino]-D-glucitol","ethyl 4-{2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy}benzoate",CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)C2CO)cc1,CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)C2CO)cc1,"InChI=1/C17H25NO7/c1-2-24-17(23)11-3-5-12(6-4-11)25-8-7-18-9-14(20)16(22)15(21)13(18)10-19/h3-6,13-16,19-22H,2,7-10H2,1H3",C17H25NO7,,,,,,NWWORXYTJRPSMC-JAAVRUMLSA-N,,,,,,,,,,,
100.072.359,279-619-5,80900-28-3,"1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonitrile","1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonitrile",N#CN1CCOCCOCCOCCOCCOCC1,N#CN1CCOCCOCCOCCOCCOCC1,InChI=1/C13H24N2O5/c14-13-15-1-3-16-5-7-18-9-11-20-12-10-19-8-6-17-4-2-15/h1-12H2,C13H24N2O5,,,,,,ANZGDQIYVOSPQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.363,279-623-7,80912-41-0,Ethyl 4-carbamoyl-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate,ethyl 4-carbamoyl-4-[(4-fluorophenyl)amino]piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)(Nc2ccc(F)cc2)C(=O)N,CCOC(=O)N1CCC(CC1)(Nc2ccc(F)cc2)C(=O)N,"InChI=1/C15H20FN3O3/c1-2-22-14(21)19-9-7-15(8-10-19,13(17)20)18-12-5-3-11(16)4-6-12/h3-6,18H,2,7-10H2,1H3,(H2,17,20)",C15H20FN3O3,,,,,,NHHBGEDRHALUPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.367,279-627-9,80916-49-0,Ethyl 5-methylbicyclo[2.2.1]heptane-2-carboxylate,ethyl 5-methylbicyclo[2.2.1]heptane-2-carboxylate,CCOC(=O)C1CC2CC1CC2C,CCOC(=O)C1CC2CC1CC2C,"InChI=1/C11H18O2/c1-3-13-11(12)10-6-8-5-9(10)4-7(8)2/h7-10H,3-6H2,1-2H3",C11H18O2,,,,,,WAVFHBURNUYTHT-UHFFFAOYSA-N,,,,,,,,,,,
100.074.004,281-430-8,83949-70-6,"1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium sulphate (2:1)","bis{1,3,3-trimethyl-2-[methyl(4-methylphenyl)carbonohydrazonoyl]-3H-indolium} sulfate",[O-]S([O-])(=O)=O.Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C.Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[O-]S([O-])(=O)=O.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/2C20H24N3.H2O4S/c2*1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5(2,3)4/h2*6-14H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2",C20H24N3.1/2O4S,,,,,,HFTYCTPMZRLFTD-UHFFFAOYSA-L,,,,,,,,,,,
100.074.005,281-431-3,83949-71-7,"1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium acetate","1,3,3-trimethyl-2-[methyl(4-methylphenyl)carbonohydrazonoyl]-3H-indolium acetate",[O-]C(C)=O.Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[O-]C(C)=O.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3.C2H4O2/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-2(3)4/h6-14H,1-5H3;1H3,(H,3,4)/q+1;/p-1",C20H24N3.C2H3O2,,,,,,SAHUHQOIHAFYOP-UHFFFAOYSA-M,,,,,,,,,,,
100.074.008,281-435-5,83949-75-1,"1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium methyl sulphate","1,3,3-trimethyl-2-[methyl(phenyl)carbonohydrazonoyl]-3H-indolium methyl sulfate",[O-]S(=O)(=O)OC.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,[O-]S(=O)(=O)OC.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,"InChI=1/C19H22N3.CH4O4S/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5-6(2,3)4/h5-14H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C19H22N3.CH3O4S,,,,,,LPQMOFIXRVVOSF-UHFFFAOYSA-M,,,,,,,,,,,
100.074.009,281-436-0,83949-76-2,"1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium sulphate (2:1)","bis{1,3,3-trimethyl-2-[methyl(phenyl)carbonohydrazonoyl]-3H-indolium} sulfate",[O-]S([O-])(=O)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,[O-]S([O-])(=O)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2,"InChI=1/2C19H22N3.H2O4S/c2*1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5(2,3)4/h2*5-14H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C19H22N3.1/2O4S,,,,,,WQOQGLFLMFEYCB-UHFFFAOYSA-L,,,,,,,,,,,
100.074.012,281-439-7,83949-79-5,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium hydrogen sulfate",CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C.[O-]S(=O)(=O)[O-],CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[O-]S(=O)(=O)[O-],"InChI=1/C22H25N2.H2O4S/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5(2,3)4/h5-14,16H,15H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C22H25N2.HO4S,,,,,,SRYPVSQZJJVDIP-UHFFFAOYSA-L,,,,,,,,,,,
100.075.433,283-002-6,84522-06-5,"2,2'-[(6-amino-1,3,5-triazine-2,4-diyl)bis(oxy)]bisethanol","2,2'-[(6-amino-1,3,5-triazine-2,4-diyl)bis(oxy)]diethanol",Nc1nc(OCCO)nc(OCCO)n1,Nc1nc(OCCO)nc(OCCO)n1,"InChI=1/C7H12N4O4/c8-5-9-6(14-3-1-12)11-7(10-5)15-4-2-13/h12-13H,1-4H2,(H2,8,9,10,11)",C7H12N4O4,,,,,,OMHXPLFYQWATCP-UHFFFAOYSA-N,,,,,,,,,,,
100.075.434,283-003-1,84522-07-6,"2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol","2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol",Nc1nc(N)nc(OCCO)n1,Nc1nc(N)nc(OCCO)n1,"InChI=1/C5H9N5O2/c6-3-8-4(7)10-5(9-3)12-2-1-11/h11H,1-2H2,(H4,6,7,8,9,10)",C5H9N5O2,,,,,,NNGSAOWVXUXCDK-UHFFFAOYSA-N,,,,,,,,,,,
100.065.805,272-406-8,68833-63-6,"Ethanaminium, 2-[[[4-[[(acetyloxy)methyl][(octadecyloxy)methyl]amino]-6-[(methoxymethyl)[(octadecyloxy)methyl]amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methoxy]-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (salt)","2-{[(4-{(acetoxymethyl)[(octadecyloxy)methyl]amino}-6-{(methoxymethyl)[(octadecyloxy)methyl]amino}-1,3,5-triazin-2-yl)(methoxymethyl)amino]methoxy}-N,N-bis(2-hydroxyethyl)-N-methylethanaminium methyl sulfate",CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COCCCCCCCCCCCCCCCCCC)COC(=O)C)N(COC)COCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COCCCCCCCCCCCCCCCCCC)COC(=O)C)N(COC)COCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-],"InChI=1/C56H112N7O9.CH4O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44-69-49-60(47-67-5)54-57-55(61(48-68-6)50-71-46-41-63(4,39-42-64)40-43-65)59-56(58-54)62(52-72-53(3)66)51-70-45-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-5-6(2,3)4/h64-65H,7-52H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1",C56H112N7O9.CH3O4S,,,,,,VIBKWALSLXXPOU-UHFFFAOYSA-M,,,,,,,,,,,
100.065.810,272-412-0,68833-69-2,"Azelaic acid, compound with 2,2'-iminodiethanol","nonanedioic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)CCCCCCCC(=O)O,OCCNCCO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C4H11NO2/c10-8(11)6-4-2-1-3-5-7-9(12)13;6-3-1-5-2-4-7/h1-7H2,(H,10,11)(H,12,13);5-7H,1-4H2",C9H16O4.xC4H11NO2,,,,,,XECWYZKZWXSHOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.819,272-422-5,68833-95-4,4-amino-6-ethoxy-o-cresol hydrochloride,4-amino-2-ethoxy-6-methylphenol hydrochloride,Cl.CCOc1cc(N)cc(C)c1O,Cl.CCOc1cc(N)cc(C)c1O,"InChI=1/C9H13NO2.ClH/c1-3-12-8-5-7(10)4-6(2)9(8)11;/h4-5,11H,3,10H2,1-2H3;1H",C9H13NO2.ClH,,,,,,PTBSODCCAURXBW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.589,274-371-4,70189-88-7,"3-(propylamino)propane-1,2-diol","3-(propylamino)propane-1,2-diol",CCCNCC(O)CO,CCCNCC(O)CO,"InChI=1/C6H15NO2/c1-2-3-7-4-6(9)5-8/h6-9H,2-5H2,1H3",C6H15NO2,,,,,,DFLPEEAGRQDYGF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.591,274-374-0,70198-16-2,"4-[[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]azo]-N-phenylaniline","N-phenyl-4-{[(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]diazenyl}aniline",CC4(C)c1ccccc1N(C)C4=CN=Nc3ccc(Nc2ccccc2)cc3,CC4(C)c1ccccc1N(C)C4=CN=Nc3ccc(Nc2ccccc2)cc3,"InChI=1/C24H24N4/c1-24(2)21-11-7-8-12-22(21)28(3)23(24)17-25-27-20-15-13-19(14-16-20)26-18-9-5-4-6-10-18/h4-17,26H,1-3H3",C24H24N4,,,,,,YIKSGDFROXRTNK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.595,274-378-2,70198-23-1,2-aminoethyl L-lysinate trihydrochloride,2-aminoethyl L-lysinate trihydrochloride,Cl.Cl.Cl.NCCCC[C@H](N)C(=O)OCCN,Cl.Cl.Cl.NCCCC[C@H](N)C(=O)OCCN,"InChI=1/C8H19N3O2.3ClH/c9-4-2-1-3-7(11)8(12)13-6-5-10;;;/h7H,1-6,9-11H2;3*1H",C8H19N3O2.3ClH,,,,,,SAKAHFSYUHWBLG-QTPLPEIMSA-N,,,,,,,,,,,
100.067.603,274-387-1,70209-88-0,"Tetrasodium 5-[[4-[[6-[[2-[(2-carboxylatophenyl)azo]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulphonato-1-naphthyl]azo]-3-methoxy-7-sulphonato-1-naphthyl]azo]salicylate",tetrasodium 5-[(4-{[6-({2-[(2-carboxylatophenyl)diazenyl]-3-oxobutanoyl}amino)-2-hydroxy-4-sulfonato-1-naphthyl]diazenyl}-3-methoxy-7-sulfonato-1-naphthyl)diazenyl]-2-hydroxybenzoate,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c6ccccc6N=NC(C(C)=O)C(=O)Nc1ccc5c(c1)c(cc(O)c5N=Nc3c4ccc(cc4c(N=Nc2cc(C([O-])=O)c(O)cc2)cc3OC)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c6ccccc6N=NC(C(C)=O)C(=O)Nc1ccc5c(c1)c(cc(O)c5N=Nc3c4ccc(cc4c(N=Nc2cc(C([O-])=O)c(O)cc2)cc3OC)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C39H29N7O15S2.4Na/c1-18(47)34(44-42-28-6-4-3-5-24(28)38(51)52)37(50)40-19-7-10-23-26(13-19)33(63(58,59)60)17-31(49)35(23)45-46-36-22-11-9-21(62(55,56)57)15-25(22)29(16-32(36)61-2)43-41-20-8-12-30(48)27(14-20)39(53)54;;;;/h3-17,34,48-49H,1-2H3,(H,40,50)(H,51,52)(H,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4",C39H29N7O15S2.4Na,,,,,,UAUWAILLMHXISG-UHFFFAOYSA-J,,,,,,,,,,,
100.067.607,274-391-3,70209-94-8,"Sodium 2,5-dichloro-4-(1,3-dihydro-5,7-dinitro-3-oxo-2H-indazol-2-yl)benzenesulphonate","sodium 2,5-dichloro-4-(5,7-dinitro-3-oxo-1,3-dihydro-2H-indazol-2-yl)benzenesulfonate",[Na+].[O-][N+](=O)c1cc2C(=O)N(Nc2c(c1)[N+](=O)[O-])c3cc(Cl)c(cc3Cl)S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1cc2C(=O)N(Nc2c(c1)[N+](=O)[O-])c3cc(Cl)c(cc3Cl)S(=O)(=O)[O-],"InChI=1/C13H6Cl2N4O8S.Na/c14-7-4-11(28(25,26)27)8(15)3-9(7)17-13(20)6-1-5(18(21)22)2-10(19(23)24)12(6)16-17;/h1-4,16H,(H,25,26,27);/q;+1/p-1",C13H6Cl2N4O8S.Na,,,,,,MCTOMHNFFBXERI-UHFFFAOYSA-M,,,,,,,,,,,
100.069.524,276-499-6,72230-93-4,"4,4'-bis(1-butylpentyl)-2,2'-bipyridine","4,4'-bis(1-butylpentyl)-2,2'-bipyridine",CCCCC(CCCC)c1ccnc(c1)c2cc(ccn2)C(CCCC)CCCC,CCCCC(CCCC)c1ccnc(c1)c2cc(ccn2)C(CCCC)CCCC,"InChI=1/C28H44N2/c1-5-9-13-23(14-10-6-2)25-17-19-29-27(21-25)28-22-26(18-20-30-28)24(15-11-7-3)16-12-8-4/h17-24H,5-16H2,1-4H3",C28H44N2,,,,,,BLDQUHPMDSICNF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.530,276-506-2,72237-82-2,"6-methoxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde","6-methoxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde",COc1ccc2[nH]c3c(C)c(C=O)cc(C)c3c2c1,COc1ccc2[nH]c3c(C)c(C=O)cc(C)c3c2c1,"InChI=1/C16H15NO2/c1-9-6-11(8-18)10(2)16-15(9)13-7-12(19-3)4-5-14(13)17-16/h4-8,17H,1-3H3",C16H15NO2,,,,,,ONWQRYWVYUOPML-UHFFFAOYSA-N,,,,,,,,,,,
100.069.534,276-510-4,72237-98-0,"1-chloro-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole","1-chloro-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole",COc1ccc2[nH]c3c(C)c4ccnc(Cl)c4c(C)c3c2c1,COc1ccc2[nH]c3c(C)c4ccnc(Cl)c4c(C)c3c2c1,"InChI=1/C18H15ClN2O/c1-9-12-6-7-20-18(19)16(12)10(2)15-13-8-11(22-3)4-5-14(13)21-17(9)15/h4-8,21H,1-3H3",C18H15ClN2O,,,,,,OBHHXTZLKQPULF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.536,276-513-0,72238-09-6,"2,3,4,9-tetrahydro-2-(hydroxymethylene)-6-methoxy-4-methyl-1H-carbazol-1-one","2-(hydroxymethylene)-6-methoxy-4-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one",COc1cc2c(cc1)nc3c2C(C)CC(=CO)C3=O,COc1cc2c(cc1)nc3c2C(C)CC(=CO)C3=O,"InChI=1/C15H15NO3/c1-8-5-9(7-17)15(18)14-13(8)11-6-10(19-2)3-4-12(11)16-14/h3-4,6-8,16-17H,5H2,1-2H3",C15H15NO3,,,,,,NEYFYCLOJHBSEE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.692,271-182-9,68516-80-3,"4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one","4,7-dimethyl-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione",O=C3c4c(C)ccc(C)c4SC3=C2Sc1ccccc1C2=O,O=C3c4c(C)ccc(C)c4SC3=C2Sc1ccccc1C2=O,"InChI=1/C18H12O2S2/c1-9-7-8-10(2)16-13(9)15(20)18(22-16)17-14(19)11-5-3-4-6-12(11)21-17/h3-8H,1-2H3",C18H12O2S2,,,,,,LEJFJMYRQZBWHT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.575,275-456-9,71436-97-0,"Ethyl a-cyano-2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purine-8-acetate","ethyl cyano(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetate",CCOC(=O)C(C#N)c1nc2N(C)C(=O)N(C)C(=O)c2n1C,CCOC(=O)C(C#N)c1nc2N(C)C(=O)N(C)C(=O)c2n1C,"InChI=1/C13H15N5O4/c1-5-22-12(20)7(6-14)9-15-10-8(16(9)2)11(19)18(4)13(21)17(10)3/h7H,5H2,1-4H3",C13H15N5O4,,,,,,BMIKTCIKJATOHU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.814,270-217-5,68413-42-3,"2,2'-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethyl diacetate","({4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}imino)diethane-2,1-diyl diacetate",Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C21H23ClN4O6/c1-14-12-17(25(8-10-31-15(2)27)9-11-32-16(3)28)4-6-20(14)23-24-21-7-5-18(26(29)30)13-19(21)22/h4-7,12-13H,8-11H2,1-3H3",C21H23ClN4O6,,,,,,BDAQFSJXVZDVGC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.816,270-219-6,68413-47-8,Dibutyl [(dipropoxyphosphinothioyl)thio]succinate,dibutyl 2-[(dipropoxyphosphorothioyl)sulfanyl]succinate,CCCCOC(=O)CC(SP(=S)(OCCC)OCCC)C(=O)OCCCC,CCCCOC(=O)CC(SP(=S)(OCCC)OCCC)C(=O)OCCCC,"InChI=1/C18H35O6PS2/c1-5-9-13-21-17(19)15-16(18(20)22-14-10-6-2)27-25(26,23-11-7-3)24-12-8-4/h16H,5-15H2,1-4H3",C18H35O6PS2,,,,,,HSVNXSQHXKNAOX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.820,270-223-8,68413-51-4,"Tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)methylamino]-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)(methyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].CN(CCO)c1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)[O-])nc(n5)N(C)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].CN(CCO)c1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)[O-])nc(n5)N(C)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C38H40N12O14S4.4Na/c1-49(15-17-51)37-45-33(39-25-5-3-7-29(19-25)65(53,54)55)43-35(47-37)41-27-13-11-23(31(21-27)67(59,60)61)9-10-24-12-14-28(22-32(24)68(62,63)64)42-36-44-34(46-38(48-36)50(2)16-18-52)40-26-6-4-8-30(20-26)66(56,57)58;;;;/h3-14,19-22,51-52H,15-18H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;;;/q;4*+1/p-4",C38H40N12O14S4.4Na,,,,,,RZQYLDRJOVNEAS-GWIKJDHCSA-J,,,,,,,,,,,
100.063.830,270-234-8,68413-62-7,3-chloro-4-(pyrrolidinyl)benzenediazonium tetrachlorozincate (2:1),bis(3-chloro-4-pyrrolidin-1-ylbenzenediazonium) tetrachlorozincate(2-),Clc1cc(ccc1N2CCCC2)[N+]#N.Clc3cc(ccc3N4CCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,Clc1cc(ccc1N2CCCC2)[N+]#N.Clc3cc(ccc3N4CCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C10H11ClN3.4ClH.Zn/c2*11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;;;;;/h2*3-4,7H,1-2,5-6H2;4*1H;/q2*+1;;;;;+2/p-4/r2C10H11ClN3.Cl4Zn/c2*11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;1-5(2,3)4/h2*3-4,7H,1-2,5-6H2;/q2*+1;-2",C10H11ClN3.1/2Cl4Zn,,,,,,NAAKVPXGKFMVNM-UHFFFAOYSA-J,,,,,,,,,,,
100.063.831,270-235-3,68413-63-8,3-chloro-4-(dimethylamino)benzenediazonium tetrachlorozincate (2:1),bis[3-chloro-4-(dimethylamino)benzenediazonium] tetrachlorozincate(2-),CN(C)c1ccc(cc1Cl)[N+]#N.CN(C)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CN(C)c1ccc(cc1Cl)[N+]#N.CN(C)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C8H9ClN3.4ClH.Zn/c2*1-12(2)8-4-3-6(11-10)5-7(8)9;;;;;/h2*3-5H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C8H9ClN3.Cl4Zn/c2*1-12(2)8-4-3-6(11-10)5-7(8)9;1-5(2,3)4/h2*3-5H,1-2H3;/q2*+1;-2",C8H9ClN3.1/2Cl4Zn,,,,,,NSOVLJMVGDUGAB-UHFFFAOYSA-J,,,,,,,,,,,
100.063.832,270-236-9,68413-64-9,"2,5-bis(1-methylethoxy)-4-(morpholino)benzenediazonium tetrachlorozincate (2:1)","bis(2,5-diisopropoxy-4-morpholin-4-ylbenzenediazonium) tetrachlorozincate(2-)",CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.CC(C)Oc3cc(N4CCOCC4)c(OC(C)C)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.CC(C)Oc3cc(N4CCOCC4)c(OC(C)C)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C16H24N3O3.4ClH.Zn/c2*1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;;;;;/h2*9-12H,5-8H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C16H24N3O3.Cl4Zn/c2*1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;1-5(2,3)4/h2*9-12H,5-8H2,1-4H3;/q2*+1;-2",C16H24N3O3.1/2Cl4Zn,,,,,,OWOOUJPHMVDWMS-UHFFFAOYSA-J,,,,,,,,,,,
100.063.833,270-237-4,68413-65-0,"Dihydrogen hexafluorosilicate(2-), compound with 2-aminoethanol (1:1)",dihydrogen hexafluorosilicate - 2-aminoethanol (1:1),NCCO.F[Si-2](F)(F)(F)(F)F,NCCO.F[Si-2](F)(F)(F)(F)F,"InChI=1/C2H7NO.F6Si/c3-1-2-4;1-7(2,3,4,5)6/h4H,1-3H2;/q;-2",C2H7NO.F6Si.2H,,,,,,FRBZGCZUBXRLTE-UHFFFAOYSA-N,,,,,,,,,,,
100.066.668,273-357-5,68957-64-2,Ruthenium(3+) octanoate,ruthenium(3+) trioctanoate,[Ru+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],[Ru+3].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-],"InChI=1/3C8H16O2.Ru/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",C8H16O2.1/3Ru,,,,,,HAQNILKXKHODOO-UHFFFAOYSA-K,,,,,,,,,,,
100.066.669,273-358-0,68957-66-4,N-[[4-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]benzoyl]oxy]acetamidine,"N-[(4-{2-[4-(1,3-benzoxazol-2-yl)phenyl]vinyl}benzoyl)oxy]ethanimidamide",CC(=N)NOC(=O)c1ccc(\\C=C\\c2ccc(cc2)c3oc4ccccc4n3)cc1,CC(=N)NOC(=O)c1ccc(\C=C\c2ccc(cc2)c3oc4ccccc4n3)cc1,"InChI=1/C24H19N3O3/c1-16(25)27-30-24(28)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)29-23/h2-15H,1H3,(H2,25,27)",C24H19N3O3,,,,,,BPNQCRZMIZEIKS-VOTSOKGWSA-N,,,,,,,,,,,
100.069.919,276-935-5,72845-85-3,"2-[2-[4-isopropylphenyl]-1-methylethyl]-1,3-dioxolane","2-[2-(4-isopropylphenyl)-1-methylethyl]-1,3-dioxolane",CC(C)c1ccc(CC(C)C2OCCO2)cc1,CC(C)c1ccc(CC(C)C2OCCO2)cc1,"InChI=1/C15H22O2/c1-11(2)14-6-4-13(5-7-14)10-12(3)15-16-8-9-17-15/h4-7,11-12,15H,8-10H2,1-3H3",C15H22O2,,,,,,GOWQWVLKPNPEIG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.921,276-937-6,72845-90-0,2-chloro-4-[(4-nitrophenyl)azo]benzenediazonium hydrogen sulphate,2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium hydrogen sulfate,[H+].N#[N+]c1ccc(cc1Cl)N=Nc2ccc(cc2)[N+]([O-])=O.[O-]S([O-])(=O)=O,[H+].N#[N+]c1ccc(cc1Cl)N=Nc2ccc(cc2)[N+]([O-])=O.[O-]S([O-])(=O)=O,"InChI=1/C12H7ClN5O2.H2O4S.H2/c13-11-7-9(3-6-12(11)15-14)17-16-8-1-4-10(5-2-8)18(19)20;1-5(2,3)4;/h1-7H;(H2,1,2,3,4);1H/q+1;;+1/p-2",C12H7ClN5O2.HO4S,,,,,,LEAZYQHEKMLEMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.924,276-940-2,72846-00-5,1-benzyl-5-phenylbarbituric acid,"1-benzyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",O=C1NC(=O)N(Cc2ccccc2)C(=O)C1c3ccccc3,O=C1NC(=O)N(Cc2ccccc2)C(=O)C1c3ccccc3,"InChI=1/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22)",C17H14N2O3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18772,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.924,KCWWCWMGJOWTMY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.945,276-963-8,72894-12-3,Methyl 2-(nonylideneamino)benzoate,methyl 2-(nonylideneamino)benzoate,COC(=O)c1ccccc1N=CCCCCCCCC,COC(=O)c1ccccc1N=CCCCCCCCC,"InChI=1/C17H25NO2/c1-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17(19)20-2/h9-10,12-14H,3-8,11H2,1-2H3",C17H25NO2,,,,,,KRMRLVKJOSLHQF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.949,276-968-5,72894-16-7,Dimethyl heptylmalonate,dimethyl heptylmalonate,CCCCCCCC(C(=O)OC)C(=O)OC,CCCCCCCC(C(=O)OC)C(=O)OC,"InChI=1/C12H22O4/c1-4-5-6-7-8-9-10(11(13)15-2)12(14)16-3/h10H,4-9H2,1-3H3",C12H22O4,,,,,,UPVFLKZRQSPLQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.957,276-976-9,72903-06-1,"Syn-1,5-dimethylbicyclo[3.2.1]oct-8-yl formate","1,5-dimethylbicyclo[3.2.1]oct-8-yl formate",C[C@@]12CCC[C@@](C)(CC1)C2OC=O,C[C@@]12CCC[C@@](C)(CC1)C2OC=O,"InChI=1/C11H18O2/c1-10-4-3-5-11(2,7-6-10)9(10)13-8-12/h8-9H,3-7H2,1-2H3",C11H18O2,,,,,,WDZYJGQARPJWOY-FGWVZKOKSA-N,,,,,,,,,,,
100.066.060,272-687-7,68908-97-4,"Aluminum, tri-C2-20-alkyl complexes",triundecylaluminum,CCCCCCCCCCC[Al](CCCCCCCCCCC)CCCCCCCCCCC,CCCCCCCCCCC[Al](CCCCCCCCCCC)CCCCCCCCCCC,"InChI=1/3C11H23.Al/c3*1-3-5-7-9-11-10-8-6-4-2;/h3*1,3-11H2,2H3;/rC33H69Al/c1-4-7-10-13-16-19-22-25-28-31-34(32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3/h4-33H2,1-3H3",-,,,,,,BTTAOWWZQOZWRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.806,274-610-2,70456-77-8,1H-perimidin-2-amine monohydrochloride,1H-perimidin-2-amine hydrochloride,Cl.NC1=Nc2cccc3cccc(N1)c23,Cl.NC1=Nc2cccc3cccc(N1)c23,"InChI=1/C11H9N3.ClH/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;/h1-6H,(H3,12,13,14);1H",C11H9N3.ClH,,,,,,SZOJMCCLOONRGD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.823,274-629-6,70499-13-7,7-chloro-2-methyl-4-quinolone,7-chloro-2-methylquinolin-4(1H)-one,CC1=CC(=O)c2ccc(Cl)cc2N1,CC1=CC(=O)c2ccc(Cl)cc2N1,"InChI=1/C10H8ClNO/c1-6-4-10(13)8-3-2-7(11)5-9(8)12-6/h2-5H,1H3,(H,12,13)",C10H8ClNO,,,,,,TWYVITBRDNFBNT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.840,274-647-4,70521-74-3,Sodium N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-ß-alaninate,sodium 3-[(2-hydroxydodecyl)(2-hydroxyethyl)amino]propanoate,[Na+].CCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-],[Na+].CCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-],"InChI=1/C17H35NO4.Na/c1-2-3-4-5-6-7-8-9-10-16(20)15-18(13-14-19)12-11-17(21)22;/h16,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1",C17H35NO4.Na,,,,,,AWEMLNGDYQCSIB-UHFFFAOYSA-M,,,,,,,,,,,
100.067.841,274-649-5,70521-75-4,Sodium N-(2-hydroxyethyl)-N-(2-hydroxytetradecyl)-ß-alaninate,sodium 3-[(2-hydroxyethyl)(2-hydroxytetradecyl)amino]propanoate,[Na+].CCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-],[Na+].CCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-],"InChI=1/C19H39NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)17-20(15-16-21)14-13-19(23)24;/h18,21-22H,2-17H2,1H3,(H,23,24);/q;+1/p-1",C19H39NO4.Na,,,,,,CSNYQBCYYLYAJY-UHFFFAOYSA-M,,,,,,,,,,,
100.069.969,276-990-5,72906-15-1,"Trisodium 4-amino-3-[[4-[[4-[(2,4-diaminophenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(2,4-diaminophenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1)Nc2ccc(cc2S([O-])(=O)=O)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)c6,[Na+].[Na+].[Na+].Nc6ccc(N=Nc1ccc(cc1)Nc2ccc(cc2S([O-])(=O)=O)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)c6,"InChI=1/C34H28N10O10S3.3Na/c35-19-6-12-25(24(36)16-19)42-39-22-9-7-20(8-10-22)38-26-13-11-23(17-27(26)55(46,47)48)41-43-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)37)44-40-21-4-2-1-3-5-21;;;/h1-17,38,45H,35-37H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C34H28N10O10S3.3Na,,,,,,RSOOZRIHUZKOOE-UHFFFAOYSA-K,,,,,,,,,,,
100.075.435,283-004-7,84522-08-7,"4-benzoylbenzene-1,2,3-triyl tris(3-diazo-3,4-dihydro-4-oxonaphthalene-1-sulphonate)","4-benzoylbenzene-1,2,3-triyl tris(3-diazo-4-oxo-3,4-dihydronaphthalene-1-sulfonate)",[N-]=[N+]=C1C=C(c2ccccc2C1=O)S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)C5=CC(=[N+]=[N-])C(=O)c6ccccc56)c3OS(=O)(=O)C7=CC(=[N+]=[N-])C(=O)c8ccccc78,[N-]=[N+]=C1C=C(c2ccccc2C1=O)S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)C5=CC(=[N+]=[N-])C(=O)c6ccccc56)c3OS(=O)(=O)C7=CC(=[N+]=[N-])C(=O)c8ccccc78,"InChI=1/C43H22N6O13S3/c44-47-31-20-35(24-12-4-7-15-27(24)39(31)51)63(54,55)60-34-19-18-30(38(50)23-10-2-1-3-11-23)42(61-64(56,57)36-21-32(48-45)40(52)28-16-8-5-13-25(28)36)43(34)62-65(58,59)37-22-33(49-46)41(53)29-17-9-6-14-26(29)37/h1-22H",C43H22N6O13S3,,,,,,AZLPCAODPMJHMD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.442,283-012-0,84522-16-7,N-(4-chloro-2-methoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide,3-[(4-chloro-2-methoxyphenyl)carbamoyl]-2-naphthyl dihydrogen phosphate,COc1cc(Cl)ccc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,COc1cc(Cl)ccc1NC(=O)c2cc3ccccc3cc2OP(=O)(O)O,"InChI=1/C18H15ClNO6P/c1-25-17-10-13(19)6-7-15(17)20-18(21)14-8-11-4-2-3-5-12(11)9-16(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)",C18H15ClNO6P,,,,,,MTECNYYSWQTZLS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.443,283-013-6,84522-17-8,a-oxofuran-2-acetamide,2-(2-furyl)-2-oxoacetamide,NC(=O)C(=O)c1occc1,NC(=O)C(=O)c1occc1,"InChI=1/C6H5NO3/c7-6(9)5(8)4-2-1-3-10-4/h1-3H,(H2,7,9)",C6H5NO3,,,,,,NXZIOYYELLCYTE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.445,283-015-7,84522-19-0,"1-amino-9,10-dihydro-4-(methylamino)-N-[(3-methylcyclohexylamino)propyl]-9,10-dioxoanthracene-2-carboxamide monoacetate","1-amino-4-(methylamino)-N-{1-[(3-methylcyclohexyl)amino]propyl}-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide acetate",CCC(NC1CCCC(C)C1)NC(=O)c2cc(NC)c3C(=O)c4ccccc4C(=O)c3c2N.CC(=O)O,CCC(NC1CCCC(C)C1)NC(=O)c2cc(NC)c3C(=O)c4ccccc4C(=O)c3c2N.CC(=O)O,"InChI=1/C26H32N4O3.C2H4O2/c1-4-20(29-15-9-7-8-14(2)12-15)30-26(33)18-13-19(28-3)21-22(23(18)27)25(32)17-11-6-5-10-16(17)24(21)31;1-2(3)4/h5-6,10-11,13-15,20,28-29H,4,7-9,12,27H2,1-3H3,(H,30,33);1H3,(H,3,4)",C26H32N4O3.C2H4O2,,,,,,HEPXSIRJUHFNKI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.453,283-024-6,84522-29-2,Ethyl 7-isopropyl-5-methylbicyclo[2.2.2]octane-2-carboxylate,ethyl 7-isopropyl-5-methylbicyclo[2.2.2]octane-2-carboxylate,CCOC(=O)C1CC2CC(C(C)C)C1CC2C,CCOC(=O)C1CC2CC(C(C)C)C1CC2C,"InChI=1/C15H26O2/c1-5-17-15(16)14-8-11-7-12(9(2)3)13(14)6-10(11)4/h9-14H,5-8H2,1-4H3",C15H26O2,,,,,,BSYZAGFQVCLKBE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.126,279-362-9,80004-03-1,"(S)-1,4,7,10,13-pentaoxacyclopentadecane-2-methanol","1,4,7,10,13-pentaoxacyclopentadecan-2-ylmethanol",OC[C@H]1COCCOCCOCCOCCO1,OC[C@H]1COCCOCCOCCOCCO1,"InChI=1/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2",C11H22O6,,,,,,YHIQMMGCRYKJLB-NSHDSACASA-N,,,,,,,,,,,
100.072.144,279-382-8,80050-87-9,"2-(3,4-dimethoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine","2-(3,4-dimethoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine",COc1ccc(cc1OC)c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,COc1ccc(cc1OC)c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1/C13H9Cl6N3O2/c1-23-7-4-3-6(5-8(7)24-2)9-20-10(12(14,15)16)22-11(21-9)13(17,18)19/h3-5H,1-2H3",C13H9Cl6N3O2,,,,,,RLYHOBWTMJVPGB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.150,279-389-6,80073-10-5,5-acetamido-6-hydroxynaphthalene-2-sulphonic acid,5-acetamido-6-hydroxynaphthalene-2-sulfonic acid,CC(=O)Nc1c(O)ccc2cc(ccc12)S(=O)(=O)O,CC(=O)Nc1c(O)ccc2cc(ccc12)S(=O)(=O)O,"InChI=1/C12H11NO5S/c1-7(14)13-12-10-4-3-9(19(16,17)18)6-8(10)2-5-11(12)15/h2-6,15H,1H3,(H,13,14)(H,16,17,18)",C12H11NO5S,,,,,,DDCAHQIINGNWDW-UHFFFAOYSA-N,,,,,,,,,,,
100.074.014,281-441-8,83949-82-0,"2-[2-(2,3-dihydro-5-methoxy-2,3,3-trimethyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-[2-(5-methoxy-2,3,3-trimethyl-2,3-dihydro-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium acetate",COc1ccc2N(\\C=C\\C3=[N+](C)c4ccccc4C3(C)C)C(C)C(C)(C)c2c1.CC(=O)[O-],COc1ccc2N(\C=C\C3=[N+](C)c4ccccc4C3(C)C)C(C)C(C)(C)c2c1.CC(=O)[O-],"InChI=1/C25H31N2O.C2H4O2/c1-17-24(2,3)20-16-18(28-7)12-13-22(20)27(17)15-14-23-25(4,5)19-10-8-9-11-21(19)26(23)6;1-2(3)4/h8-17H,1-7H3;1H3,(H,3,4)/q+1;/p-1",C25H31N2O.C2H3O2,,,,,,WNXQKWADOSVZGV-UHFFFAOYSA-M,,,,,,,,,,,
100.074.015,281-442-3,83949-84-2,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-5-(phenylmethoxy)-3H-indolium methyl sulphate","5-(benzyloxy)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium methyl sulfate",COS(=O)(=O)[O-].CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccc(OCc5ccccc5)cc4C3(C)C,COS(=O)(=O)[O-].CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccc(OCc5ccccc5)cc4C3(C)C,"InChI=1/C29H31N2O.CH4O4S/c1-21-18-23-12-8-9-13-26(23)31(21)17-16-28-29(2,3)25-19-24(14-15-27(25)30(28)4)32-20-22-10-6-5-7-11-22;1-5-6(2,3)4/h5-17,19,21H,18,20H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C29H31N2O.CH3O4S,,,,,,RPSUEIMUIXLTJY-UHFFFAOYSA-M,,,,,,,,,,,
100.074.019,281-447-0,83949-90-0,"N-[5-[[4,6-bis[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-1,3,5-triazin-2-yl]amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-[5-({4,6-bis[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-1,3,5-triazin-2-yl}amino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide",O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cccc9C(=O)c%10ccccc%10C(=O)c89)n4)cccc3C(=O)c12)c%11ccccc%11,O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cccc9C(=O)c%10ccccc%10C(=O)c89)n4)cccc3C(=O)c12)c%11ccccc%11,"InChI=1/C52H29N7O7/c60-43-27-14-4-6-16-29(27)45(62)39-31(43)18-8-23-36(39)54-50-57-51(55-37-24-9-19-32-40(37)46(63)30-17-7-5-15-28(30)44(32)61)59-52(58-50)56-38-25-11-21-34-42(38)48(65)33-20-10-22-35(41(33)47(34)64)53-49(66)26-12-2-1-3-13-26/h1-25H,(H,53,66)(H3,54,55,56,57,58,59)",C52H29N7O7,,,,,,YVYNLXCMPJFWKR-UHFFFAOYSA-N,,,,,,,,,,,
100.064.698,271-189-7,68517-02-2,"2,2',2''-[propylidynetris(p-phenyleneoxymethylene)]trioxirane","2,2',2''-[propane-1,1,1-triyltris(4,1-phenyleneoxymethylene)]trioxirane",CCC(c1ccc(OCC2CO2)cc1)(c3ccc(OCC4CO4)cc3)c5ccc(OCC6CO6)cc5,CCC(c1ccc(OCC2CO2)cc1)(c3ccc(OCC4CO4)cc3)c5ccc(OCC6CO6)cc5,"InChI=1/C30H32O6/c1-2-30(21-3-9-24(10-4-21)31-15-27-18-34-27,22-5-11-25(12-6-22)32-16-28-19-35-28)23-7-13-26(14-8-23)33-17-29-20-36-29/h3-14,27-29H,2,15-20H2,1H3",C30H32O6,,,,,,VLVBXHBIJRSJKD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.718,271-211-5,68526-54-5,"Alkenes, C7-9, C8-rich",oct-4-ene,CCC\\C=C\\CCC,CCC\C=C\CCC,"InChI=1/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3",-,,,,,,IRUCBBFNLDIMIK-BQYQJAHWSA-N,,,,,,,,,,,
100.064.719,271-212-0,68526-55-6,"Alkenes, C8-10, C9-rich",non-4-ene,CCCC\\C=C\\CCC,CCCC\C=C\CCC,"InChI=1/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13103,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.719,KPADFPAILITQBG-VQHVLOKHSA-N,,,,,,,,,,,
100.064.722,271-215-7,68526-58-9,"Alkenes, C11-13, C12-rich",dodec-6-ene,CCCCC\\C=C\\CCCCC,CCCCC\C=C\CCCCC,"InChI=1/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h11-12H,3-10H2,1-2H3",-,,,,,,DZGHBGLILAEHOR-VAWYXSNFSA-N,,,,,,,,,,,
100.064.737,271-231-4,68526-83-0,"Alcohols, C7-9-iso-, C8-rich",6-methylheptan-1-ol,CC(C)CCCCCO,CC(C)CCCCCO,"InChI=1/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13352,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.737,BWDBEAQIHAEVLV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.826,272-429-3,68834-03-7,"N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)","N,N'-{(7,14-dioxo-7,14-dihydrodibenzo[c,pqr]tetraphene-2,9-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide",O=C(Nc1ccc(Nc2ccc3c(c2)C(=O)c4ccc5c6ccc(Nc7ccc(NC(=O)c8ccccc8)c9C(=O)c%10ccccc%10C(=O)c79)cc6C(=O)c%11ccc3c4c5%11)c%12C(=O)c%13ccccc%13C(=O)c1%12)c%14ccccc%14,O=C(Nc1ccc(Nc2ccc3c(c2)C(=O)c4ccc5c6ccc(Nc7ccc(NC(=O)c8ccccc8)c9C(=O)c%10ccccc%10C(=O)c79)cc6C(=O)c%11ccc3c4c5%11)c%12C(=O)c%13ccccc%13C(=O)c1%12)c%14ccccc%14,"InChI=1/C66H36N4O8/c71-59-45-25-24-40-38-22-20-36(68-50-28-30-52(70-66(78)34-13-5-2-6-14-34)58-56(50)62(74)42-16-8-10-18-44(42)64(58)76)32-48(38)60(72)46-26-23-39(53(45)54(40)46)37-21-19-35(31-47(37)59)67-49-27-29-51(69-65(77)33-11-3-1-4-12-33)57-55(49)61(73)41-15-7-9-17-43(41)63(57)75/h1-32,67-68H,(H,69,77)(H,70,78)",C66H36N4O8,,,,,,FPYVZVAVJMWSOP-UHFFFAOYSA-N,,,,,,,,,,,
100.065.833,272-437-7,68837-59-2,4-bromo-2-methylbenzoic acid,4-bromo-2-methylbenzoic acid,Cc1cc(Br)ccc1C(=O)O,Cc1cc(Br)ccc1C(=O)O,"InChI=1/C8H7BrO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)",C8H7BrO2,,,,,,RVCJOGNLYVNRDN-UHFFFAOYSA-N,,,,,,,,,,,
100.065.838,272-442-4,68844-95-1,2-methoxy-3-(4-methylpentyl)pyrazine,2-methoxy-3-(4-methylpentyl)pyrazine,COc1nccnc1CCCC(C)C,COc1nccnc1CCCC(C)C,"InChI=1/C11H18N2O/c1-9(2)5-4-6-10-11(14-3)13-8-7-12-10/h7-9H,4-6H2,1-3H3",C11H18N2O,,,,,,HQNJHPJFKOLFHC-UHFFFAOYSA-N,,,,,,,,,,,
100.065.855,272-461-8,68845-35-2,Triethyltrimethylcyclohex-2-en-1-one,"2,3,4-triethyl-4,5,5-trimethylcyclohex-2-en-1-one",CCC1=C(CC)C(C)(CC)C(C)(C)CC1=O,CCC1=C(CC)C(C)(CC)C(C)(C)CC1=O,"InChI=1/C15H26O/c1-7-11-12(8-2)15(6,9-3)14(4,5)10-13(11)16/h7-10H2,1-6H3",C15H26O,,,,,,PIPXWJPYXRZHAX-UHFFFAOYSA-N,,,,,,,,,,,
100.065.865,272-472-8,68855-24-3,"Benzene, C14-30-alkyl derivs.",docosylbenzene,CCCCCCCCCCCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCCCCCCCCCCc1ccccc1,"InChI=1/C28H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28/h21,23-24,26-27H,2-20,22,25H2,1H3",-,,,,,,MEYUFRQDILUMEC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.616,274-401-6,70210-04-7,"Disodium 4-[[[3-[(chloroacetyl)amino]phenoxy]acetyl]amino]-5-hydroxy-6-[[2-(4-pentylphenoxy)phenyl]azo]naphthalene-1,7-disulphonate","disodium 4-[({3-[(chloroacetyl)amino]phenoxy}acetyl)amino]-5-hydroxy-6-{[2-(4-pentylphenoxy)phenyl]diazenyl}naphthalene-1,7-disulfonate",[Na+].[Na+].ClCC(=O)Nc1cccc(c1)OCC(=O)Nc5ccc(c4cc(c(N=Nc3ccccc3Oc2ccc(CCCCC)cc2)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].ClCC(=O)Nc1cccc(c1)OCC(=O)Nc5ccc(c4cc(c(N=Nc3ccccc3Oc2ccc(CCCCC)cc2)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C37H35ClN4O11S2.2Na/c1-2-3-4-8-23-13-15-25(16-14-23)53-30-12-6-5-11-28(30)41-42-36-32(55(49,50)51)20-27-31(54(46,47)48)18-17-29(35(27)37(36)45)40-34(44)22-52-26-10-7-9-24(19-26)39-33(43)21-38;;/h5-7,9-20,45H,2-4,8,21-22H2,1H3,(H,39,43)(H,40,44)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2",C37H35ClN4O11S2.2Na,,,,,,RYKNEZQMDZEINB-UHFFFAOYSA-L,,,,,,,,,,,
100.067.618,274-403-7,70210-06-9,Disodium 3-[[ethyl[4-[[4-[(3-sulphonatophenyl)azo]-1-naphthyl]azo]phenyl]amino]methyl]benzenesulphonate,disodium 3-{[4-({4-[ethyl(3-sulfonatobenzyl)amino]phenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c2ccc(cc2)N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c2ccc(cc2)N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45,"InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-7-5-9-26(19-22)43(37,38)39)25-15-13-23(14-16-25)32-34-30-17-18-31(29-12-4-3-11-28(29)30)35-33-24-8-6-10-27(20-24)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C31H27N5O6S2.2Na,,,,,,GYGVRMLIQVFLPE-UHFFFAOYSA-L,,,,,,,,,,,
100.066.673,273-362-2,68957-70-0,"Disodium 2,2'-methylenebis[4,6-dichlorophenolate]","disodium 2,2'-methylenebis(4,6-dichlorophenolate)",[Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Cc2cc(Cl)cc(Cl)c2[O-],[Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Cc2cc(Cl)cc(Cl)c2[O-],"InChI=1/C13H8Cl4O2.2Na/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19;;/h2-5,18-19H,1H2;;/q;2*+1/p-2",C13H8Cl4O2.2Na,,,,,,HWMSTPYCOZSCRP-UHFFFAOYSA-L,,,,,,,,,,,
100.066.680,273-370-6,68958-51-0,ß-dodecenyl-<U+03B3>-oxopiperidine-1-butyric acid,3-(piperidin-1-ylcarbonyl)pentadec-4-enoic acid,O=C(C(CC(O)=O)C=CCCCCCCCCCC)N1CCCCC1,O=C(C(CC(O)=O)C=CCCCCCCCCCC)N1CCCCC1,"InChI=1/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-12-15-19(18-20(23)24)21(25)22-16-13-11-14-17-22/h12,15,19H,2-11,13-14,16-18H2,1H3,(H,23,24)",C21H37NO3,,,,,,CPFFRNURLMULII-UHFFFAOYSA-N,,,,,,,,,,,
100.066.694,273-385-8,68958-99-6,Disodium 3-[[3-methoxy-4-[[[2-methoxy-5-methyl-4-[(3-sulphonatophenyl)azo]anilino]carbamoyl]amino]phenyl]azo]benzenesulphonate,disodium 3-[(3-methoxy-4-{[(2-{2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl}hydrazino)carbonyl]amino}phenyl)diazenyl]benzenesulfonate,[Na+].[Na+].COc4cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(C)cc4NNC(=O)Nc3ccc(N=Nc2cccc(c2)S([O-])(=O)=O)cc3OC,[Na+].[Na+].COc4cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(C)cc4NNC(=O)Nc3ccc(N=Nc2cccc(c2)S([O-])(=O)=O)cc3OC,"InChI=1/C28H27N7O9S2.2Na/c1-17-12-25(27(44-3)16-24(17)33-32-19-7-5-9-22(14-19)46(40,41)42)34-35-28(36)29-23-11-10-20(15-26(23)43-2)31-30-18-6-4-8-21(13-18)45(37,38)39;;/h4-16,34H,1-3H3,(H2,29,35,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C28H26N6O9S2.2Na,,,,,,QVZPJMCMFREZIC-UHFFFAOYSA-L,,,,,,,,,,,
100.066.695,273-386-3,68959-00-2,Sodium 3-[[4-[(2-ethoxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulphonate,sodium 3-({4-[(2-ethoxy-5-methylphenyl)diazenyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].CCOc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23,[Na+].CCOc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23,"InChI=1/C25H22N4O4S.Na/c1-3-33-25-14-11-17(2)15-24(25)29-28-23-13-12-22(20-9-4-5-10-21(20)23)27-26-18-7-6-8-19(16-18)34(30,31)32;/h4-16H,3H2,1-2H3,(H,30,31,32);/q;+1/p-1",C25H22N4O4S.Na,,,,,,PHBKXNWUWOCVEI-UHFFFAOYSA-M,,,,,,,,,,,
100.066.696,273-387-9,68959-01-3,Sodium 4-chloro-3-[[4-[(4-ethoxyphenyl)azo]phenyl]azo]benzenesulphonate,sodium 4-chloro-3-({4-[(4-ethoxyphenyl)diazenyl]phenyl}diazenyl)benzenesulfonate,[Na+].Clc3ccc(cc3N=Nc2ccc(N=Nc1ccc(OCC)cc1)cc2)S([O-])(=O)=O,[Na+].Clc3ccc(cc3N=Nc2ccc(N=Nc1ccc(OCC)cc1)cc2)S([O-])(=O)=O,"InChI=1/C20H17ClN4O4S.Na/c1-2-29-17-9-7-16(8-10-17)23-22-14-3-5-15(6-4-14)24-25-20-13-18(30(26,27)28)11-12-19(20)21;/h3-13H,2H2,1H3,(H,26,27,28);/q;+1/p-1",C20H17ClN4O4S.Na,,,,,,KCZQZVXCJSWDIK-UHFFFAOYSA-M,,,,,,,,,,,
100.066.699,273-391-0,68959-05-7,"Ethyl dihydrogen phosphate, compound with triethylamine (1:2)","ethyl dihydrogen phosphate - N,N-diethylethanamine (1:2)",OP(=O)(O)OCC.CCN(CC)CC.CCN(CC)CC,OP(=O)(O)OCC.CCN(CC)CC.CCN(CC)CC,"InChI=1/2C6H15N.C2H7O4P/c2*1-4-7(5-2)6-3;1-2-6-7(3,4)5/h2*4-6H2,1-3H3;2H2,1H3,(H2,3,4,5)",C6H15N.1/2C2H7O4P,,,,,,MWRXLDQXFGMVCB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.154,273-890-3,69140-59-6,Cobalt dipotassium (1-hydroxyethylidene)bisphosphonate,"cobalt(2+) dipotassium (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[K+].[K+].[Co+2].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[K+].[K+].[Co+2].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.Co.2K/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;/q;+2;2*+1/p-4",C2H8O7P2.Co.2K,,,,,,GACOCMPTEYASHP-UHFFFAOYSA-J,,,,,,,,,,,
100.067.156,273-892-4,69140-61-0,Copper dipotassium (1-hydroxyethylidene)bisphosphonate,"copper(2+) dipotassium (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[Cu+2].[K+].[K+].CC(O)(P(=O)([O-])[O-])P([O-])([O-])=O,[Cu+2].[K+].[K+].CC(O)(P(=O)([O-])[O-])P([O-])([O-])=O,"InChI=1/C2H8O7P2.Cu.2K/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;/q;+2;2*+1/p-4",C2H8O7P2.Cu.2K,,,,,,KYYOLRWDZJLKGI-UHFFFAOYSA-J,,,,,,,,,,,
100.067.157,273-894-5,69140-63-2,"Pentasodium 4-amino-3-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulphonatophenyl]azo]-6-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","pentasodium 4-amino-3-({5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl}diazenyl)-6-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc5c(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(F)nc5F,[Na+].[Na+].[Na+].[Na+].[Na+].Clc5c(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(F)nc5F,"InChI=1/C26H17ClF2N8O16S5.5Na/c27-19-24(28)32-26(29)33-25(19)31-10-1-3-14(55(42,43)44)12(7-10)34-36-21-16(57(48,49)50)5-9-6-17(58(51,52)53)22(23(38)18(9)20(21)30)37-35-13-8-11(54(39,40)41)2-4-15(13)56(45,46)47;;;;;/h1-8,38H,30H2,(H,31,32,33)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5",C26H17ClF2N8O16S5.5Na,,,,,,WWJXUTBQUHLEPS-UHFFFAOYSA-I,,,,,,,,,,,
100.067.160,273-897-1,69163-89-9,Cycloheptylammonium chloride,cycloheptanaminium chloride,[Cl-].[NH3+]C1CCCCCC1,[Cl-].[NH3+]C1CCCCCC1,"InChI=1/C7H15N.ClH/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H",C7H15N.ClH,,,,,,PVXWLXWTEKCYGD-UHFFFAOYSA-N,,,,,,,,,,,
100.065.881,272-490-6,68855-56-1,"Alcohols, C12-16",tetradecan-1-ol,CCCCCCCCCCCCCCO,CCCCCCCCCCCCCCO,"InChI=1/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",-,,,,,,HLZKNKRTKFSKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.885,272-494-8,68855-60-7,"Alkenes, C14-20 a-",octadec-1-ene,CCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCC=C,"InChI=1/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3",-,,,,,,CCCMONHAUSKTEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.904,272-516-6,68860-50-4,"4-(dimethoxymethyl)-1,1-dimethoxypentane","1,1,5,5-tetramethoxy-2-methylpentane",COC(CCC(C)C(OC)OC)OC,COC(CCC(C)C(OC)OC)OC,"InChI=1/C10H22O4/c1-8(10(13-4)14-5)6-7-9(11-2)12-3/h8-10H,6-7H2,1-5H3",C10H22O4,,,,,,JBEZZHPFGNHYEV-UHFFFAOYSA-N,,,,,,,,,,,
100.067.628,274-414-7,70210-17-2,"Tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]naphthalene-1,3,6-trisulphonate","tetrasodium 5-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3cc(C)c(N=Nc1c2cc(cc(c2ccc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3C)c4cc(ccc45)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3cc(C)c(N=Nc1c2cc(cc(c2ccc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3C)c4cc(ccc45)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C31H24ClN9O12S4.4Na/c1-14-10-25(40-41-28-21-12-17(55(45,46)47)13-27(57(51,52)53)19(21)5-8-26(28)56(48,49)50)15(2)9-24(14)39-38-23-7-6-22(34-31-36-29(32)35-30(33)37-31)18-4-3-16(11-20(18)23)54(42,43)44;;;;/h3-13H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H3,33,34,35,36,37);;;;/q;4*+1/p-4",C31H24ClN9O12S4.4Na,,,,,,JAHOBQDOBYFPTP-UHFFFAOYSA-J,,,,,,,,,,,
100.067.852,274-661-0,70528-91-5,"2,4-dihydro-5-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-2-phenyl-3H-pyrazol-3-imine","5-methyl-4-{[4-(methylsulfonyl)-2-nitrophenyl]diazenyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-imine",CS(=O)(=O)c3ccc(N=NC2C(\\C)=N/N(c1ccccc1)C2=N)c(c3)[N+]([O-])=O,CS(=O)(=O)c3ccc(N=NC2C(\C)=N/N(c1ccccc1)C2=N)c(c3)[N+]([O-])=O,"InChI=1/C17H16N6O4S/c1-11-16(17(18)22(21-11)12-6-4-3-5-7-12)20-19-14-9-8-13(28(2,26)27)10-15(14)23(24)25/h3-10,16,18H,1-2H3",C17H16N6O4S,,,,,,GHPLSOVHHRFMFR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.861,274-671-5,70556-54-6,2-methyl-1-(4-methyl-3-cyclohexen-1-yl)pent-1-en-3-one,2-methyl-1-(4-methylcyclohex-3-en-1-yl)pent-1-en-3-one,CC(=CC1C\\C=C(\\C)CC1)C(=O)CC,CC(=CC1C\C=C(\C)CC1)C(=O)CC,"InChI=1/C13H20O/c1-4-13(14)11(3)9-12-7-5-10(2)6-8-12/h5,9,12H,4,6-8H2,1-3H3",C13H20O,,,,,,NSPDRVIQAXARPO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.996,277-019-8,72927-71-0,"1,1'-[(phenylmethylene)bis[(2-ethoxy-4,1-phenylene)azo]]bis(2-naphthol)","1,1'-{(phenylmethylene)bis[(2-ethoxy-4,1-phenylene)diazene-2,1-diyl]}di(2-naphthol)",CCOc3cc(ccc3N=Nc1c2ccccc2ccc1O)C(c4ccccc4)c7ccc(N=Nc5c6ccccc6ccc5O)c(OCC)c7,CCOc3cc(ccc3N=Nc1c2ccccc2ccc1O)C(c4ccccc4)c7ccc(N=Nc5c6ccccc6ccc5O)c(OCC)c7,"InChI=1/C43H36N4O4/c1-3-50-39-26-31(18-22-35(39)44-46-42-33-16-10-8-12-28(33)20-24-37(42)48)41(30-14-6-5-7-15-30)32-19-23-36(40(27-32)51-4-2)45-47-43-34-17-11-9-13-29(34)21-25-38(43)49/h5-27,41,48-49H,3-4H2,1-2H3",C43H36N4O4,,,,,,UREMJLRMOYIAQO-UHFFFAOYSA-N,,,,,,,,,,,
100.064.140,270-576-8,68444-04-2,Sodium 2-heptadecyl-1H-benzimidazole-4-sulphonate,sodium 2-heptadecyl-1H-benzimidazole-4-sulfonate,[Na+].CCCCCCCCCCCCCCCCCc1nc2c(cccc2[nH]1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCc1nc2c(cccc2[nH]1)S(=O)(=O)[O-],"InChI=1/C24H40N2O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-21-18-17-19-22(24(21)26-23)30(27,28)29;/h17-19H,2-16,20H2,1H3,(H,25,26)(H,27,28,29);/q;+1/p-1",C24H40N2O3S.Na,,,,,,SQXNPLJFLMAXHO-UHFFFAOYSA-M,,,,,,,,,,,
100.064.149,270-586-2,68444-14-4,"Propane-1,2,3-triyl tris(3-oxooctanoate)","propane-1,2,3-triyl tris(3-oxooctanoate)",CCCCCC(=O)CC(=O)OCC(COC(=O)CC(=O)CCCCC)OC(=O)CC(=O)CCCCC,CCCCCC(=O)CC(=O)OCC(COC(=O)CC(=O)CCCCC)OC(=O)CC(=O)CCCCC,"InChI=1/C27H44O9/c1-4-7-10-13-21(28)16-25(31)34-19-24(36-27(33)18-23(30)15-12-9-6-3)20-35-26(32)17-22(29)14-11-8-5-2/h24H,4-20H2,1-3H3",C27H44O9,,,,,,DNBRLNRCKKEJHW-UHFFFAOYSA-N,,,,,,,,,,,
100.064.153,270-590-4,68444-19-9,"2-heptadecyl-4,5-dihydro-1H-imidazole-1-ethanol phosphate","2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethanol phosphate (salt)",CCCCCCCCCCCCCCCCCC1=NCCN1CCO.OP(=O)(O)O,CCCCCCCCCCCCCCCCCC1=NCCN1CCO.OP(=O)(O)O,"InChI=1/C22H44N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-5(2,3)4/h25H,2-21H2,1H3;(H3,1,2,3,4)",C22H44N2O.xH3O4P,,,,,,HMRPOFXYUBTFNV-UHFFFAOYSA-N,,,,,,,,,,,
100.064.154,270-592-5,68444-28-0,"Octadecenoic acid, compound with 2,2'-iminodiethanol (1:1)","octadec-2-enoic acid - 2,2'-iminodiethanol (1:1)",O=C(O)C=CCCCCCCCCCCCCCCC.OCCNCCO,O=C(O)C=CCCCCCCCCCCCCCCC.OCCNCCO,"InChI=1/C18H34O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h16-17H,2-15H2,1H3,(H,19,20);5-7H,1-4H2",C18H34O2.C4H11NO2,,,,,,KGVPAGDDAAYBGA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.940,272-555-9,68877-28-1,1-[(dodecylphenyl)methyl]quinolinium,1-(2-dodecylbenzyl)quinolinium,CCCCCCCCCCCCc1ccccc1C[n+]2cccc3ccccc23,CCCCCCCCCCCCc1ccccc1C[n+]2cccc3ccccc23,"InChI=1/C28H38N/c1-2-3-4-5-6-7-8-9-10-11-17-25-18-12-13-20-27(25)24-29-23-16-21-26-19-14-15-22-28(26)29/h12-16,18-23H,2-11,17,24H2,1H3/q+1",C28H38N,,,,,,CNLZTMKTPMBSIV-UHFFFAOYSA-N,,,,,,,,,,,
100.074.021,281-449-1,83949-92-2,"N-[5-[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-[5-({4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-6-phenoxy-1,3,5-triazin-2-yl}amino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide",O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Oc8ccccc8)n4)cccc3C(=O)c12)c9ccccc9,O=C(Nc1cccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Oc8ccccc8)n4)cccc3C(=O)c12)c9ccccc9,"InChI=1/C44H26N6O6/c51-37-26-16-7-8-17-27(26)38(52)34-28(37)18-9-22-32(34)46-42-48-43(50-44(49-42)56-25-14-5-2-6-15-25)47-33-23-11-20-30-36(33)40(54)29-19-10-21-31(35(29)39(30)53)45-41(55)24-12-3-1-4-13-24/h1-23H,(H,45,55)(H2,46,47,48,49,50)",C44H26N6O6,,,,,,HODFFUYCJXEUAG-UHFFFAOYSA-N,,,,,,,,,,,
100.074.027,281-455-4,83949-98-8,"1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium lactate","1,3,3-trimethyl-2-{methyl[4-(phenyldiazenyl)phenyl]carbonohydrazonoyl}-3H-indolium 2-hydroxypropanoate",[O-]C(=O)C(C)O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,[O-]C(=O)C(C)O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3,"InChI=1/C25H26N5.C3H6O3/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-2(4)3(5)6/h5-18H,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1",C25H26N5.C3H5O3,,,,,,KAZJWVKLTSUTIV-UHFFFAOYSA-M,,,,,,,,,,,
100.074.030,281-459-6,83950-02-1,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)","bis{2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium} sulfate",[O-]S([O-])(=O)=O.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[O-]S([O-])(=O)=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/2C20H23N3O.H2O4S/c2*1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-5(2,3)4/h2*5-12,14H,13H2,1-4H3;(H2,1,2,3,4)",C20H24N3O.1/2O4S,,,,,,HQVIQNLVMLNCRF-UHFFFAOYSA-N,,,,,,,,,,,
100.074.033,281-462-2,83950-07-6,Ammonium sodium 8-[(4-amino-3-methoxyphenyl)azo]-6-ethoxy-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,ammonium sodium 8-[(4-amino-3-methoxyphenyl)diazenyl]-6-ethoxy-5-[(2-hydroxy-6-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[NH4+].[Na+].Nc1ccc(cc1OC)N=Nc5cc(OCC)c(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O,[NH4+].[Na+].Nc1ccc(cc1OC)N=Nc5cc(OCC)c(N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O,"InChI=1/C29H25N5O9S2.H3N.Na/c1-3-43-27-15-24(32-31-17-5-10-23(30)26(13-17)42-2)22-14-19(45(39,40)41)7-9-21(22)29(27)34-33-28-20-8-6-18(44(36,37)38)12-16(20)4-11-25(28)35;;/h4-15,35H,3,30H2,1-2H3,(H,36,37,38)(H,39,40,41);1H3;/q;;+1/p-1",C29H25N5O9S2.xH3N.xNa,,,,,,INBALHVLESCXMV-UHFFFAOYSA-M,,,,,,,,,,,
100.074.034,281-463-8,83950-08-7,Ammonium sodium 8-[(4-amino-2-chloro-5-methoxyphenyl)azo]-6-ethoxy-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,ammonium sodium 8-[(4-amino-2-chloro-5-methoxyphenyl)diazenyl]-6-ethoxy-5-[(2-hydroxy-6-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[NH4+].[Na+].Clc5cc(N)c(cc5N=Nc4cc(OCC)c(N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)c3ccc(cc34)S([O-])(=O)=O)OC,[NH4+].[Na+].Clc5cc(N)c(cc5N=Nc4cc(OCC)c(N=Nc1c2ccc(cc2ccc1O)S([O-])(=O)=O)c3ccc(cc34)S([O-])(=O)=O)OC,"InChI=1/C29H24ClN5O9S2.H3N.Na/c1-3-44-27-13-23(32-33-24-14-26(43-2)22(31)12-21(24)30)20-11-17(46(40,41)42)6-8-19(20)29(27)35-34-28-18-7-5-16(45(37,38)39)10-15(18)4-9-25(28)36;;/h4-14,36H,3,31H2,1-2H3,(H,37,38,39)(H,40,41,42);1H3;/q;;+1/p-1",C29H24ClN5O9S2.xH3N.xNa,,,,,,FDXXBSHSWAARJE-UHFFFAOYSA-M,,,,,,,,,,,
100.074.038,281-468-5,83950-14-5,4-[2-[4-[benzylmethyl(ethyl)amino]phenyl]vinyl]-1-(2-hydroxyethyl)pyridinium acetate,4-(2-{4-[ethyl(2-phenylethyl)amino]phenyl}vinyl)-1-(2-hydroxyethyl)pyridinium acetate,CCN(CCc1ccccc1)c2ccc(\\C=C\\c3cc[n+](CCO)cc3)cc2.CC(=O)[O-],CCN(CCc1ccccc1)c2ccc(\C=C\c3cc[n+](CCO)cc3)cc2.CC(=O)[O-],"InChI=1/C25H29N2O.C2H4O2/c1-2-27(19-16-22-6-4-3-5-7-22)25-12-10-23(11-13-25)8-9-24-14-17-26(18-15-24)20-21-28;1-2(3)4/h3-15,17-18,28H,2,16,19-21H2,1H3;1H3,(H,3,4)/q+1;/p-1",C24H27N2O.C2H3O2,,,,,,VYDGPYVDDSLNEL-UHFFFAOYSA-M,,,,,,,,,,,
100.074.042,281-472-7,83950-19-0,"Bis(4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-o-toluidine) sulphate","4-{(2-chlorophenyl)[4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-2-methylaniline sulfate (2:1)",OS(O)(=O)=O.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\\C(=NCC)C(\\C)=C\\3.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\\C(=NCC)C(\\C)=C\\3,OS(O)(=O)=O.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\C(=NCC)C(\C)=C\3.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\C(=NCC)C(\C)=C\3,"InChI=1/2C25H27ClN2.H2O4S/c2*1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20;1-5(2,3)4/h2*7-16,27H,5-6H2,1-4H3;(H2,1,2,3,4)",C25H27ClN2.1/2H2O4S,,,,,,ZMXSUKGJOHRWHA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.250,285-005-8,85005-73-8,3-(ethylamino)-2-methyl-7-[(o-tolyl)amino]phenoxazin-5-ium chloride,3-(ethylamino)-2-methyl-7-[(2-methylphenyl)amino]phenoxazin-5-ium chloride,[Cl-].CCNc1cc2[o+]c3cc(Nc4ccccc4C)ccc3nc2cc1C,[Cl-].CCNc1cc2[o+]c3cc(Nc4ccccc4C)ccc3nc2cc1C,"InChI=1/C22H22N3O.ClH/c1-4-23-19-13-22-20(11-15(19)3)25-18-10-9-16(12-21(18)26-22)24-17-8-6-5-7-14(17)2;/h5-13,23-24H,4H2,1-3H3;1H/q+1;/p-1",C22H22N3O.Cl,,,,,,XWHIWRJRYDSPPU-UHFFFAOYSA-M,,,,,,,,,,,
100.067.621,274-406-3,70210-09-2,3-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-1-phenyl-1H-pyrazol-5-amine,3-methyl-4-{[4-(methylsulfonyl)-2-nitrophenyl]diazenyl}-1-phenyl-1H-pyrazol-5-amine,CS(=O)(=O)c3ccc(N=Nc2c(C)nn(c1ccccc1)c2N)c(c3)[N+]([O-])=O,CS(=O)(=O)c3ccc(N=Nc2c(C)nn(c1ccccc1)c2N)c(c3)[N+]([O-])=O,"InChI=1/C17H16N6O4S/c1-11-16(17(18)22(21-11)12-6-4-3-5-7-12)20-19-14-9-8-13(28(2,26)27)10-15(14)23(24)25/h3-10H,18H2,1-2H3",C17H16N6O4S,,,,,,BBCXHOYGGYKBRN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.622,274-407-9,70210-10-5,3-[[2-(2-cyanoethoxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile,3-([2-(2-cyanoethoxy)ethyl]{4-[(4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCOCCC#N)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCOCCC#N)cc2,"InChI=1/C20H20N6O3/c21-11-1-13-25(14-16-29-15-2-12-22)19-7-3-17(4-8-19)23-24-18-5-9-20(10-6-18)26(27)28/h3-10H,1-2,13-16H2",C20H20N6O3,,,,,,PNWYPUYECVECFF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.552,276-530-3,72245-59-1,"Tetrasodium 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-5-methoxy-o-tolyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","tetrasodium 5-amino-3-{[4-({4-[(8-amino-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc3ccc(N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)c(C)cc6N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc3ccc(N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)c(C)cc6N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C34H28N8O15S4.4Na/c1-15-7-25(40-42-32-28(61(54,55)56)11-17-9-21(59(48,49)50)13-23(36)30(17)34(32)44)26(57-2)14-24(15)39-37-18-3-5-19(6-4-18)38-41-31-27(60(51,52)53)10-16-8-20(58(45,46)47)12-22(35)29(16)33(31)43;;;;/h3-14,43-44H,35-36H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C34H28N8O15S4.4Na,,,,,,KEPYBJDLQYBBRK-UHFFFAOYSA-J,,,,,,,,,,,
100.069.555,276-534-5,72246-84-5,1-methyl-7-(1-methylpropyl)naphthalene,7-sec-butyl-1-methylnaphthalene,CCC(C)c1ccc2cccc(C)c2c1,CCC(C)c1ccc2cccc(C)c2c1,"InChI=1/C15H18/c1-4-11(2)14-9-8-13-7-5-6-12(3)15(13)10-14/h5-11H,4H2,1-3H3",C15H18,,,,,,KMBFAEWMORJFOV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.560,276-539-2,72252-59-6,"[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[[5-[[5-(aminosulfonyl)-2-hydroxyphenyl]azo]-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-4'-[[1-[[(3-carboxy-4-hydroxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-, tetrasodium salt","tetrasodium 4-({6-anilino-1-hydroxy-5-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-sulfonato-2-naphthyl}diazenyl)-4'-({1-[(3-carboxylato-4-hydroxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-3,3'-dicarboxylate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)NC(=O)C(N=Nc2ccc(cc2C([O-])=O)c7ccc(N=Nc6c(cc5c(ccc(Nc3ccccc3)c5N=Nc4cc(ccc4O)S(N)(=O)=O)c6O)S([O-])(=O)=O)c(c7)C([O-])=O)C(C)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)NC(=O)C(N=Nc2ccc(cc2C([O-])=O)c7ccc(N=Nc6c(cc5c(ccc(Nc3ccccc3)c5N=Nc4cc(ccc4O)S(N)(=O)=O)c6O)S([O-])(=O)=O)c(c7)C([O-])=O)C(C)=O,"InChI=1/C47H35N9O16S2.4Na/c1-22(57)40(44(61)50-26-9-15-37(58)32(19-26)47(66)67)54-51-33-12-7-23(17-30(33)45(62)63)24-8-13-34(31(18-24)46(64)65)52-56-42-39(74(70,71)72)21-29-28(43(42)60)11-14-35(49-25-5-3-2-4-6-25)41(29)55-53-36-20-27(73(48,68)69)10-16-38(36)59;;;;/h2-21,40,49,58-60H,1H3,(H,50,61)(H,62,63)(H,64,65)(H,66,67)(H2,48,68,69)(H,70,71,72);;;;/q;4*+1/p-4",C47H35N9O16S2.4Na,,,,,,CKKWAQWRRWDFDW-UHFFFAOYSA-J,,,,,,,,,,,
100.069.568,276-548-1,72259-17-7,"Trisodium 4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","trisodium 2,5-dichloro-4-(4-{[5-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,"InChI=1/C25H18Cl3N9O10S3.3Na/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(5-6-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-3-2-4-14(7-12)48(39,40)41;;;/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;/q;3*+1/p-3",C25H18Cl3N9O10S3.3Na,,,,,,CMHGGMYOTLMJTR-UHFFFAOYSA-K,,,,,,,,,,,
100.069.573,276-553-9,72269-52-4,Oxydiethylene bis(2-ethylhexanoate),oxydiethylene bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C=COC=C,CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C=COC=C,"InChI=1/2C8H16O2.C4H6O/c2*1-3-5-6-7(4-2)8(9)10;1-3-5-4-2/h2*7H,3-6H2,1-2H3,(H,9,10);3-4H,1-2H2/p-2",C20H38O5,,,,,,NSQINGHGZBCUBT-UHFFFAOYSA-L,,,,,,,,,,,
100.067.379,274-140-8,69834-17-9,Decylphenoxybenzene,1-decyl-2-phenoxybenzene,CCCCCCCCCCc1ccccc1Oc2ccccc2,CCCCCCCCCCc1ccccc1Oc2ccccc2,"InChI=1/C22H30O/c1-2-3-4-5-6-7-8-10-15-20-16-13-14-19-22(20)23-21-17-11-9-12-18-21/h9,11-14,16-19H,2-8,10,15H2,1H3",C22H30O,,,,,,KBSXNNPVWLOKRF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.384,274-146-0,69844-33-3,5-methyl-2-(isopropyl)phenyl isovalerate,2-isopropyl-5-methylphenyl 3-methylbutanoate,CC(C)CC(=O)Oc1cc(C)ccc1C(C)C,CC(C)CC(=O)Oc1cc(C)ccc1C(C)C,"InChI=1/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3",C15H22O2,,,,,,NZIACPHCVAFJBR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.397,274-160-7,69855-00-1,"6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undecan-5-ol","6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undecan-5-ol",CC1CCC2C(CC2(C)C)C(=C)CCC1O,CC1CCC2C(CC2(C)C)C(=C)CCC1O,"InChI=1/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h11-14,16H,1,5-9H2,2-4H3",C15H26O,,,,,,QELLKMAQROACFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.165,273-902-7,69178-38-7,"Trisodium 6-[(2,4-diaminophenyl)azo]-4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 6-[(2,4-diaminophenyl)diazenyl]-4-hydroxy-3-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc2c(cc1cc(c(cc1c2O)N=Nc3ccc(N)cc3N)S([O-])(=O)=O)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc2c(cc1cc(c(cc1c2O)N=Nc3ccc(N)cc3N)S([O-])(=O)=O)S([O-])(=O)=O)c4ccccc45,"InChI=1/C26H20N6O10S3.3Na/c27-14-5-6-20(18(28)11-14)30-31-21-12-17-13(9-23(21)44(37,38)39)10-24(45(40,41)42)25(26(17)33)32-29-19-7-8-22(43(34,35)36)16-4-2-1-3-15(16)19;;;/h1-12,33H,27-28H2,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3",C26H20N6O10S3.3Na,,,,,,PZGBEYOUNKVKNE-UHFFFAOYSA-K,,,,,,,,,,,
100.067.175,273-913-7,69205-11-4,[(2-methylbutoxy)methyl]benzene,[(2-methylbutoxy)methyl]benzene,CCC(C)COCc1ccccc1,CCC(C)COCc1ccccc1,"InChI=1/C12H18O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3",C12H18O,,,,,,YOANEDOLERYMCY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.176,273-914-2,69217-67-0,4-(acetylamino)phenyl N-acetyl-DL-methionate,4-acetamidophenyl N-acetylmethioninate,CSCCC(NC(=O)C)C(=O)Oc1ccc(NC(=O)C)cc1,CSCCC(NC(=O)C)C(=O)Oc1ccc(NC(=O)C)cc1,"InChI=1/C15H20N2O4S/c1-10(18)16-12-4-6-13(7-5-12)21-15(20)14(8-9-22-3)17-11(2)19/h4-7,14H,8-9H2,1-3H3,(H,16,18)(H,17,19)",C15H20N2O4S,,,,,,GDRGOYFISYGSHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.177,273-915-8,69221-14-3,(9S)-1-benzyl-9-hydroxycinchonanium chloride,1-benzylcinchonan-1-ium-9-ol chloride,[Cl-].O[C@H]([C@H]1C[C@@H]2CC[N@@+]1(Cc3ccccc3)C[C@@H]2C=C)c4ccnc5ccccc45,[Cl-].O[C@H]([C@H]1C[C@@H]2CC[N@@+]1(Cc3ccccc3)C[C@@H]2C=C)c4ccnc5ccccc45,"InChI=1/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1",C26H29N2O.Cl,,,,,,FCHYSBWCOKEPNQ-QOVGZWAVSA-M,,,,,,,,,,,
100.068.596,275-479-4,71463-41-7,N-(2-hydroxyphenyl)-N-[(4-methylphenyl)sulphonyl]acetamide,N-(2-hydroxyphenyl)-N-[(4-methylphenyl)sulfonyl]acetamide,CC(=O)N(c1ccccc1O)S(=O)(=O)c2ccc(C)cc2,CC(=O)N(c1ccccc1O)S(=O)(=O)c2ccc(C)cc2,"InChI=1/C15H15NO4S/c1-11-7-9-13(10-8-11)21(19,20)16(12(2)17)14-5-3-4-6-15(14)18/h3-10,18H,1-2H3",C15H15NO4S,,,,,,QQNITKANNJAGKM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.606,275-490-4,71463-52-0,"Sodium 2-(2,7-dichloroxanthen-9-yl)benzoate","sodium 2-(2,7-dichloro-9H-xanthen-9-yl)benzoate",[Na+].[O-]C(=O)c1ccccc1C2c3cc(Cl)ccc3Oc4ccc(Cl)cc24,[Na+].[O-]C(=O)c1ccccc1C2c3cc(Cl)ccc3Oc4ccc(Cl)cc24,"InChI=1/C20H12Cl2O3.Na/c21-11-5-7-17-15(9-11)19(13-3-1-2-4-14(13)20(23)24)16-10-12(22)6-8-18(16)25-17;/h1-10,19H,(H,23,24);/q;+1/p-1",C20H10Cl2O3.Na,,,,,,QQZKCPSPVWKXQH-UHFFFAOYSA-M,,,,,,,,,,,
100.068.608,275-493-0,71463-54-2,4'-chloro-4-(4-chlorophenyl)butyrophenone,"1,4-bis(4-chlorophenyl)butan-1-one",Clc1ccc(CCCC(=O)c2ccc(Cl)cc2)cc1,Clc1ccc(CCCC(=O)c2ccc(Cl)cc2)cc1,"InChI=1/C16H14Cl2O/c17-14-8-4-12(5-9-14)2-1-3-16(19)13-6-10-15(18)11-7-13/h4-11H,1-3H2",C16H14Cl2O,,,,,,MOICKJLUGDYOJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.839,270-244-2,68413-71-8,"1,3,5-tribromo-2-(2-bromoethoxy)benzene","1,3,5-tribromo-2-(2-bromoethoxy)benzene",BrCCOc1c(Br)cc(Br)cc1Br,BrCCOc1c(Br)cc(Br)cc1Br,"InChI=1/C8H6Br4O/c9-1-2-13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H2",C8H6Br4O,,,,,,SSZHXDAHYXHGQY-UHFFFAOYSA-N,,,,,,,,,,,
100.063.840,270-245-8,68413-72-9,Sodium 9-(sulphooxy)octadecanoate,sodium 9-(sulfooxy)octadecanoate,[Na+].CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)O,[Na+].CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)O,"InChI=1/C18H36O6S.Na/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1",C18H36O6S.xNa,,,,,,LBBMGWMTZMVZCT-UHFFFAOYSA-M,,,,,,,,,,,
100.063.850,270-256-8,68413-85-4,"6-chloro-N,N'-diphenylquinoxaline-2,3-diamine","6-chloro-N,N'-diphenylquinoxaline-2,3-diamine",Clc1ccc2nc(Nc3ccccc3)c(Nc4ccccc4)nc2c1,Clc1ccc2nc(Nc3ccccc3)c(Nc4ccccc4)nc2c1,"InChI=1/C20H15ClN4/c21-14-11-12-17-18(13-14)25-20(23-16-9-5-2-6-10-16)19(24-17)22-15-7-3-1-4-8-15/h1-13H,(H,22,24)(H,23,25)",C20H15ClN4,,,,,,FAWDYLYVVKBRJB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.853,270-259-4,68413-88-7,3-chloro-4-(diethylamino)benzenediazonium hexafluorophosphate,3-chloro-4-(diethylamino)benzenediazonium hexafluorophosphate,CCN(CC)c1ccc(cc1Cl)[N+]#N.F[P-](F)(F)(F)(F)F,CCN(CC)c1ccc(cc1Cl)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C10H13ClN3.F6P/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;1-7(2,3,4,5)6/h5-7H,3-4H2,1-2H3;/q+1;-1",C10H13ClN3.F6P,,,,,,RNILZDLKXKSJEK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.858,270-265-7,68413-94-5,"N,N'-bis(3-aminopropyl)-2-butene-1,4-diamine","N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine",NCCCNCC=CCNCCCN,NCCCNCC=CCNCCCN,"InChI=1/C10H24N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-2,13-14H,3-12H2",C10H24N4,,,,,,QIMQRAOUTRFLRN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.859,270-266-2,68415-64-5,2-[2-(2-hydroxyethoxy)ethoxy]ethyl decanoate,2-[2-(2-hydroxyethoxy)ethoxy]ethyl decanoate,CCCCCCCCCC(=O)OCCOCCOCCO,CCCCCCCCCC(=O)OCCOCCOCCO,"InChI=1/C16H32O5/c1-2-3-4-5-6-7-8-9-16(18)21-15-14-20-13-12-19-11-10-17/h17H,2-15H2,1H3",C16H32O5,,,,,,HLLBXNKHJCWFFI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.861,270-268-3,68420-14-4,"(Z)-2,2'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(oxy)]bis[2-octyl-1,3,2-dioxastannepin-4,7-dione]","2,2'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(oxy)]bis(2-octyl-1,3,2-dioxastannepine-4,7-dione)",CCCCCCCC[Sn]1(OC(=O)\\C=C/C(=O)O[Sn]2(CCCCCCCC)OC(=O)C=CC(=O)O2)OC(=O)C=CC(=O)O1,CCCCCCCC[Sn]1(OC(=O)\C=C/C(=O)O[Sn]2(CCCCCCCC)OC(=O)C=CC(=O)O2)OC(=O)C=CC(=O)O1,"InChI=1/2C8H17.3C4H4O4.2Sn/c2*1-3-5-7-8-6-4-2;3*5-3(6)1-2-4(7)8;;/h2*1,3-8H2,2H3;3*1-2H,(H,5,6)(H,7,8);;/q;;;;;2*+3/p-6/rC28H40O12Sn2/c1-3-5-7-9-11-13-21-41(35-23(29)15-16-24(30)36-41)39-27(33)19-20-28(34)40-42(22-14-12-10-8-6-4-2)37-25(31)17-18-26(32)38-42/h15-20H,3-14,21-22H2,1-2H3",C28H40O12Sn2,,,,,,URJITOLRUFWZLN-DCVDYEDCSA-H,,,,,,,,,,,
100.065.941,272-556-4,68877-29-2,"(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol","1-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol",CC1(C)C2CCC1(C)C(C2)C3(O)CCCCC3,CC1(C)C2CCC1(C)C(C2)C3(O)CCCCC3,"InChI=1/C16H28O/c1-14(2)12-7-10-15(14,3)13(11-12)16(17)8-5-4-6-9-16/h12-13,17H,4-11H2,1-3H3",C16H28O,,,,,,ZCYKVYLQRHEGPH-UHFFFAOYSA-N,,,,,,,,,,,
100.065.945,272-561-1,68877-35-0,"N-[3-[(2-ethylhexyl)oxy]propyl]propane-1,3-diamine monoacetate","N-{3-[(2-ethylhexyl)oxy]propyl}propane-1,3-diamine acetate",CCCCC(CC)COCCCNCCCN.CC(=O)O,CCCCC(CC)COCCCNCCCN.CC(=O)O,"InChI=1/C14H32N2O.C2H4O2/c1-3-5-8-14(4-2)13-17-12-7-11-16-10-6-9-15;1-2(3)4/h14,16H,3-13,15H2,1-2H3;1H3,(H,3,4)",C14H32N2O.C2H4O2,,,,,,UVOBIASOMQLCEF-UHFFFAOYSA-N,,,,,,,,,,,
100.065.947,272-563-2,68877-55-4,"Sodium 3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propionate","sodium 3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoate",[Na+].CCCCCCCC1=NCCN1CCOCCC(=O)[O-],[Na+].CCCCCCCC1=NCCN1CCOCCC(=O)[O-],"InChI=1/C15H28N2O3.Na/c1-2-3-4-5-6-7-14-16-9-10-17(14)11-13-20-12-8-15(18)19;/h2-13H2,1H3,(H,18,19);/q;+1/p-1",C15H28N2O3.Na,,,,,,KHKRPRQZEUYKNE-UHFFFAOYSA-M,,,,,,,,,,,
100.065.950,272-566-9,68877-61-2,"5-[[4-[benzylethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate","5-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",CN3/C=N\\[NH+](C)C3N=Nc1ccc(cc1)N(Cc2ccccc2)CC.[O-]S(=O)(=O)OC,CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(Cc2ccccc2)CC.[O-]S(=O)(=O)OC,"InChI=1/C19H24N6.CH4O4S/c1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3;1-5-6(2,3)4/h5-13,15,19H,4,14H2,1-3H3;1H3,(H,2,3,4)",C19H23N6.CH3O4S,,,,,,CIFZXSYZYTZRFL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.630,274-416-8,70210-19-4,"Disodium 7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)(methyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].CN(c1nc(OC)nc(Cl)n1)c3cc4cc(c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O,[Na+].[Na+].CN(c1nc(OC)nc(Cl)n1)c3cc4cc(c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O,"InChI=1/C22H19ClN6O9S2.2Na/c1-29(21-24-20(23)25-22(26-21)38-3)12-4-6-14-11(8-12)9-17(40(34,35)36)18(19(14)30)28-27-15-7-5-13(37-2)10-16(15)39(31,32)33;;/h4-10,30H,1-3H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C22H19ClN6O9S2.2Na,,,,,,GFADAFOBDDOICY-UHFFFAOYSA-L,,,,,,,,,,,
100.067.633,274-419-4,70210-23-0,"Trisodium 4-[[2,4-dihydroxy-3-[(4-methoxyphenyl)azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","trisodium 4-({2,4-dihydroxy-3-[(4-methoxyphenyl)diazenyl]-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc(OC)cc3)N=Nc6ccc(Nc5ccc(cc5S([O-])(=O)=O)[N+]([O-])=O)cc6,[Na+].[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc(OC)cc3)N=Nc6ccc(Nc5ccc(cc5S([O-])(=O)=O)[N+]([O-])=O)cc6,"InChI=1/C35H26N8O15S3.3Na/c1-58-23-9-6-21(7-10-23)38-42-33-34(45)28(40-37-20-4-2-19(3-5-20)36-26-11-8-22(43(47)48)14-31(26)61(55,56)57)17-29(35(33)46)41-39-27-15-24(59(49,50)51)12-18-13-25(60(52,53)54)16-30(44)32(18)27;;;/h2-17,36,44-46H,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3",C35H26N8O15S3.3Na,,,,,,XBJZAJVUETUGDA-UHFFFAOYSA-K,,,,,,,,,,,
100.067.643,274-430-4,70210-34-3,"Tetrasodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-3-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-2,7-disulphonate","tetrasodium 5-{[2,4-dihydroxy-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxy-3-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c7ccc(Nc1ccc(cc1)N=Nc2c(O)c6c(cc2S([O-])(=O)=O)cc(cc6N=Nc5cc(N=Nc4ccc(Nc3ccc(cc3S([O-])(=O)=O)[N+]([O-])=O)cc4)c(O)cc5O)S([O-])(=O)=O)c(c7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c7ccc(Nc1ccc(cc1)N=Nc2c(O)c6c(cc2S([O-])(=O)=O)cc(cc6N=Nc5cc(N=Nc4ccc(Nc3ccc(cc3S([O-])(=O)=O)[N+]([O-])=O)cc4)c(O)cc5O)S([O-])(=O)=O)c(c7)S([O-])(=O)=O,"InChI=1/C40H28N10O19S4.4Na/c51-33-19-34(52)31(18-30(33)45-43-23-5-1-21(2-6-23)41-28-11-9-25(49(54)55)15-35(28)71(61,62)63)46-47-32-17-27(70(58,59)60)13-20-14-37(73(67,68)69)39(40(53)38(20)32)48-44-24-7-3-22(4-8-24)42-29-12-10-26(50(56)57)16-36(29)72(64,65)66;;;;/h1-19,41-42,51-53H,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;/q;4*+1/p-4",C40H28N10O19S4.4Na,,,,,,YEYRLCHTGWGSQF-UHFFFAOYSA-J,,,,,,,,,,,
100.067.649,274-437-2,70210-40-1,Disodium 6-amino-5-[[4-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].BrC(=C)C(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,[Na+].[Na+].BrC(=C)C(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,"InChI=1/C19H15BrN4O8S2.2Na/c1-9(20)19(26)22-11-3-5-14(16(7-11)34(30,31)32)23-24-18-13(21)4-2-10-6-12(33(27,28)29)8-15(25)17(10)18;;/h2-8,25H,1,21H2,(H,22,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C19H15BrN4O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10962,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.649,TVBHTRRBFCNJGD-UHFFFAOYSA-L,,,,,,,,,,,
100.073.408,280-772-5,83763-83-1,Tetrasodium 3-[(4-ethoxy-3-sulphonatophenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(4-sulphonatophenyl)azo]-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonate,tetrasodium 3-[(4-ethoxy-3-sulfonatophenyl)diazenyl]-4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(4-sulfonatophenyl)diazenyl]-2-naphthyl}carbamoyl)amino]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].CCOc1ccc(cc1S([O-])(=O)=O)N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2ccc(cc2)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].CCOc1ccc(cc1S([O-])(=O)=O)N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2ccc(cc2)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O,"InChI=1/C35H28N6O16S4.4Na/c1-2-57-27-12-7-23(17-28(27)59(48,49)50)39-41-32-30(61(54,55)56)16-19-14-22(6-11-26(19)34(32)43)37-35(44)36-21-5-10-25-18(13-21)15-29(60(51,52)53)31(33(25)42)40-38-20-3-8-24(9-4-20)58(45,46)47;;;;/h3-17,42-43H,2H2,1H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C35H28N6O16S4.4Na,,,,,,OZALKPHYLATCHI-UHFFFAOYSA-J,,,,,,,,,,,
100.072.157,279-396-4,80088-37-5,"N-[5-(2-propynylthio)-1,3,4-thiadiazol-2-yl]acetamide","N-[5-(prop-2-yn-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide",CC(=O)Nc1nnc(SCC#C)s1,CC(=O)Nc1nnc(SCC#C)s1,"InChI=1/C7H7N3OS2/c1-3-4-12-7-10-9-6(13-7)8-5(2)11/h1H,4H2,2H3,(H,8,9,11)",C7H7N3OS2,,,,,,LDXGTEYZWFCVMC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.158,279-398-5,80095-31-4,N-butyl-N-[2-(diethylamino)ethyl]-1-naphthamide citrate,"N-butyl-N-[2-(diethylamino)ethyl]-1-naphthamide 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C21H30N2O.C6H8O7/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-14H,4-7,15-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C21H30N2O.xC6H8O7,,,,,,ROPZWLPGYFZSSN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.173,279-415-6,80190-61-0,N-[2-methyl-3-(methyldipropoxysilyl)propyl]ethylenediamine,"N-{2-methyl-3-[methyl(dipropoxy)silyl]propyl}ethane-1,2-diamine",CCCO[Si](C)(CC(C)CNCCN)OCCC,CCCO[Si](C)(CC(C)CNCCN)OCCC,"InChI=1/C13H32N2O2Si/c1-5-9-16-18(4,17-10-6-2)12-13(3)11-15-8-7-14/h13,15H,5-12,14H2,1-4H3",C13H32N2O2Si,,,,,,QALDTJGTUWSKPP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.174,279-416-1,80192-39-8,"3,6-dimethyl-3-vinylhept-5-en-2-one","3,6-dimethyl-3-vinylhept-5-en-2-one",CC(=CCC(C)(C=C)C(=O)C)C,CC(=CCC(C)(C=C)C(=O)C)C,"InChI=1/C11H18O/c1-6-11(5,10(4)12)8-7-9(2)3/h6-7H,1,8H2,2-5H3",C11H18O,,,,,,DCDRFQMZVITJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.180,279-422-4,80228-85-9,"Ethoxymethyl-N,N'-bis[3-(triethoxysilyl)propyl]silanediamine","1-(ethoxymethyl)-N,N'-bis[3-(triethoxysilyl)propyl]silanediamine",CCOC[SiH](NCCC[Si](OCC)(OCC)OCC)NCCC[Si](OCC)(OCC)OCC,CCOC[SiH](NCCC[Si](OCC)(OCC)OCC)NCCC[Si](OCC)(OCC)OCC,"InChI=1/C21H52N2O7Si3/c1-8-24-21-31(22-17-15-19-32(25-9-2,26-10-3)27-11-4)23-18-16-20-33(28-12-5,29-13-6)30-14-7/h22-23,31H,8-21H2,1-7H3",C21H52N2O7Si3,,,,,,TUGKUEQNPKBYKE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.183,279-426-6,80228-88-2,Ethoxymethylbis[(1-methylvinyl)oxy]silane,(ethoxymethyl)[bis(isopropenyloxy)]silane,CCOC[SiH](OC(=C)C)OC(=C)C,CCOC[SiH](OC(=C)C)OC(=C)C,"InChI=1/C9H18O3Si/c1-6-10-7-13(11-8(2)3)12-9(4)5/h13H,2,4,6-7H2,1,3,5H3",C9H18O3Si,,,,,,AUNJUXSICVEEKI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.252,282-803-8,84434-05-9,[(9-oxo-9H-thioxanthen-2-yl)oxy]acetic acid,[(9-oxo-9H-thioxanthen-2-yl)oxy]acetic acid,OC(=O)COc1ccc2Sc3ccccc3C(=O)c2c1,OC(=O)COc1ccc2Sc3ccccc3C(=O)c2c1,"InChI=1/C15H10O4S/c16-14(17)8-19-9-5-6-13-11(7-9)15(18)10-3-1-2-4-12(10)20-13/h1-7H,8H2,(H,16,17)",C15H10O4S,,,,,,LJUKODJASZSKFL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.258,282-810-6,84434-11-7,"Ethyl phenyl(2,4,6-trimethylbenzoyl)phosphinate",ethyl (mesitylcarbonyl)phenylphosphinate,CCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c2ccccc2,CCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c2ccccc2,"InChI=1/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4/h6-12H,5H2,1-4H3",C18H21O3P,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11088,https://echa.europa.eu/substance-information/-/substanceinfo/100.075.258,ZMDDERVSCYEKPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.261,282-813-2,84434-14-0,6-(phenylthio)-o-anisic acid,2-methoxy-6-(phenylsulfanyl)benzoic acid,COc1cccc(Sc2ccccc2)c1C(=O)O,COc1cccc(Sc2ccccc2)c1C(=O)O,"InChI=1/C14H12O3S/c1-17-11-8-5-9-12(13(11)14(15)16)18-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,16)",C14H12O3S,,,,,,ARKJMTOSOBNTRN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.269,282-822-1,84434-22-0,"5-tert-butyl-4,6-dinitro-m-xylene","3-tert-butyl-1,5-dimethyl-2,4-dinitrobenzene",Cc1cc(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],Cc1cc(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],"InChI=1/C12H16N2O4/c1-7-6-8(2)11(14(17)18)9(12(3,4)5)10(7)13(15)16/h6H,1-5H3",C12H16N2O4,,,,,,ZHFGLQLHVTZCGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.274,282-827-9,84434-28-6,"3-allyl-5-[2-(3-ethylbenzothiazol-2(3H)-ylidene)-1-phenylethylidene]-2-[(3-ethyl-4,5-diphenylthiazol-2(3H)-ylidene)methyl]-4-oxothiazolium iodide","3-allyl-5-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1-phenylethylidene]-2-[(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)methyl]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium iodide",[I-].CCN6C(\\c1ccccc1)=C(/SC6=CC=2SC(C(=O)[N+]=2CC=C)=C(C=C4Sc3ccccc3N4CC)c5ccccc5)c7ccccc7,[I-].CCN6C(\c1ccccc1)=C(/SC6=CC=2SC(C(=O)[N+]=2CC=C)=C(C=C4Sc3ccccc3N4CC)c5ccccc5)c7ccccc7,"InChI=1/C41H36N3OS3.HI/c1-4-26-44-37(28-36-43(6-3)38(30-20-12-8-13-21-30)39(47-36)31-22-14-9-15-23-31)48-40(41(44)45)32(29-18-10-7-11-19-29)27-35-42(5-2)33-24-16-17-25-34(33)46-35;/h4,7-25,27-28H,1,5-6,26H2,2-3H3;1H/q+1;/p-1",C41H36N3OS3.I,,,,,,PPNGMEQPRPNCQT-UHFFFAOYSA-M,,,,,,,,,,,
100.067.400,274-163-3,69856-10-6,"Pentyl-1,1'-biphenyl",2-pentylbiphenyl,CCCCCc1ccccc1c2ccccc2,CCCCCc1ccccc1c2ccccc2,"InChI=1/C17H20/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16/h4,6-9,11-14H,2-3,5,10H2,1H3",C17H20,,,,,,MUEHGEQAMLEEID-UHFFFAOYSA-N,,,,,,,,,,,
100.067.401,274-164-9,69856-11-7,"Nonyl-1,1'-biphenyl",2-nonylbiphenyl,CCCCCCCCCc1ccccc1c2ccccc2,CCCCCCCCCc1ccccc1c2ccccc2,"InChI=1/C21H28/c1-2-3-4-5-6-7-9-14-20-17-12-13-18-21(20)19-15-10-8-11-16-19/h8,10-13,15-18H,2-7,9,14H2,1H3",C21H28,,,,,,XASYKPXGYFMPJK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.405,274-169-6,69868-07-1,2-ethyltridecanoic acid,2-ethyltridecanoic acid,CCCCCCCCCCCC(CC)C(=O)O,CCCCCCCCCCCC(CC)C(=O)O,"InChI=1/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14(4-2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",C15H30O2,,,,,,JOYFPRCUHVNXEU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.140,276-077-1,71849-92-8,"2-ethyl-1-propyl-1,3-propanediyl bis(hydroxyacetate)",2-ethyl-3-(glycoloyloxy)hexyl glycolate,CCCC(OC(=O)CO)C(CC)COC(=O)CO,CCCC(OC(=O)CO)C(CC)COC(=O)CO,"InChI=1/C12H22O6/c1-3-5-10(18-12(16)7-14)9(4-2)8-17-11(15)6-13/h9-10,13-14H,3-8H2,1-2H3",C12H22O6,,,,,,YYCXYHFAXBDFPP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.142,276-079-2,71849-94-0,"2,2'-[(1,2-dioxoethylene)diimino]bis[5-aminobenzenesulphonic acid]","2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis(5-aminobenzenesulfonic acid)",Nc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C14H14N4O8S2/c15-7-1-3-9(11(5-7)27(21,22)23)17-13(19)14(20)18-10-4-2-8(16)6-12(10)28(24,25)26/h1-6H,15-16H2,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26)",C14H14N4O8S2,,,,,,VYTSTAMQEKKPOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.143,276-080-8,71849-95-1,"3,3'-[(1,2-dioxoethylene)diimino]bis[6-aminobenzenesulphonic] acid","3,3'-[(1,2-dioxoethane-1,2-diyl)diimino]bis(6-aminobenzenesulfonic acid)",Nc1ccc(NC(=O)C(=O)Nc2ccc(N)c(c2)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1ccc(NC(=O)C(=O)Nc2ccc(N)c(c2)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C14H14N4O8S2/c15-9-3-1-7(5-11(9)27(21,22)23)17-13(19)14(20)18-8-2-4-10(16)12(6-8)28(24,25)26/h1-6H,15-16H2,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26)",C14H14N4O8S2,,,,,,OBOKKWPBFHEZHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.144,276-081-3,71849-96-2,"4,5-dihydro-5-oxo-1-[(4-sulphophenyl)methyl]-1H-pyrazole-3-carboxylic acid","5-oxo-1-(4-sulfobenzyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(Cc2ccc(cc2)S(=O)(=O)O)C(=O)C1,OC(=O)C1=NN(Cc2ccc(cc2)S(=O)(=O)O)C(=O)C1,"InChI=1/C11H10N2O6S/c14-10-5-9(11(15)16)12-13(10)6-7-1-3-8(4-2-7)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)",C11H10N2O6S,,,,,,JVQOIEZICVLIPO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.146,276-083-4,71849-99-5,Phenylglycine hydrochloride,N-phenylglycine hydrochloride,Cl.OC(=O)CNc1ccccc1,Cl.OC(=O)CNc1ccccc1,"InChI=1/C8H9NO2.ClH/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);1H",C8H9NO2.ClH,,,,,,HIQIUINFXZKKEC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.160,276-099-1,71850-85-6,1-(4-methylpyrimidin-2-yl)ethan-1-one,1-(4-methylpyrimidin-2-yl)ethanone,CC(=O)c1nccc(C)n1,CC(=O)c1nccc(C)n1,"InChI=1/C7H8N2O/c1-5-3-4-8-7(9-5)6(2)10/h3-4H,1-2H3",C7H8N2O,,,,,,BHRQWCUSOZOVOG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.174,276-114-1,71873-38-6,"Sodium 2,5-dichloro-4-[4-[[3-[(ethylphenylamino)sulphonyl]-p-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-[4-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O,[Na+].CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O,"InChI=1/C25H23Cl2N5O6S2.Na/c1-4-31(18-8-6-5-7-9-18)39(34,35)22-12-17(11-10-15(22)2)28-29-24-16(3)30-32(25(24)33)21-13-20(27)23(14-19(21)26)40(36,37)38;/h5-14,24H,4H2,1-3H3,(H,36,37,38);/q;+1/p-1",C25H23Cl2N5O6S2.Na,,,,,,PYNAHQINXLPSMA-UHFFFAOYSA-M,,,,,,,,,,,
100.069.583,276-564-9,72276-05-2,"2-[[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)sulphonyl]methylamino]ethyl acrylate","2-{[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)sulfonyl](methyl)amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C18H14F21NO4S/c1-3-8(41)44-6-5-40(2)45(42,43)7-4-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h3H,1,4-7H2,2H3",C18H14F21NO4S,,,,,,VFAOZLUVVQQCPB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.584,276-565-4,72276-06-3,"2-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)sulphonyl]amino]ethyl acrylate","2-{methyl[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)sulfonyl]amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H14F25NO4S/c1-3-8(47)50-6-5-46(2)51(48,49)7-4-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h3H,1,4-7H2,2H3",C20H14F25NO4S,,,,,,JDZXXQOQZYTYCL-UHFFFAOYSA-N,,,,,,,,,,,
100.065.376,271-935-1,68631-10-7,"Tetrasodium 2,2'-[iminobis[(1-hydroxy-3-sulphonato-6,2-naphthalenediyl)azo-3,1-phenyleneimino]]bis(2-oxoacetate)","tetrasodium 2,2'-{iminobis[(1-hydroxy-3-sulfonatonaphthalene-6,2-diyl)diazene-2,1-diyl-3,1-phenyleneimino]}bis(oxoacetate)",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(=O)Nc1cccc(c1)N=Nc3c(cc2cc(ccc2c3O)Nc4ccc6c(c4)cc(c(N=Nc5cc(NC(=O)C([O-])=O)ccc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(=O)Nc1cccc(c1)N=Nc3c(cc2cc(ccc2c3O)Nc4ccc6c(c4)cc(c(N=Nc5cc(NC(=O)C([O-])=O)ccc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C36H25N7O14S2.4Na/c44-31-25-9-7-21(11-17(25)13-27(58(52,53)54)29(31)42-40-23-5-1-3-19(15-23)38-33(46)35(48)49)37-22-8-10-26-18(12-22)14-28(59(55,56)57)30(32(26)45)43-41-24-6-2-4-20(16-24)39-34(47)36(50)51;;;;/h1-16,37,44-45H,(H,38,46)(H,39,47)(H,48,49)(H,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4",C36H25N7O14S2.4Na,,,,,,ZJAFXFFWUDYGQI-UHFFFAOYSA-J,,,,,,,,,,,
100.065.377,271-936-7,68631-11-8,Disodium 6-amino-5-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].Cc1cc(c(cc1Cl)N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Cc1cc(c(cc1Cl)N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H14ClN3O7S2.2Na/c1-8-4-15(30(26,27)28)13(7-11(8)18)20-21-17-12(19)3-2-9-5-10(29(23,24)25)6-14(22)16(9)17;;/h2-7,22H,19H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C17H14ClN3O7S2.2Na,,,,,,MICMRWLWPBHDOA-UHFFFAOYSA-L,,,,,,,,,,,
100.066.712,273-405-5,68959-21-7,1-(1-phenylethyl)-3-[3-(triethoxysilyl)propyl]urea,1-(1-phenylethyl)-3-[3-(triethoxysilyl)propyl]urea,CCO[Si](CCCNC(=O)NC(C)c1ccccc1)(OCC)OCC,CCO[Si](CCCNC(=O)NC(C)c1ccccc1)(OCC)OCC,"InChI=1/C18H32N2O4Si/c1-5-22-25(23-6-2,24-7-3)15-11-14-19-18(21)20-16(4)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3,(H2,19,20,21)",C18H32N2O4Si,,,,,,HTHSRWGCXUDZTR-UHFFFAOYSA-N,,,,,,,,,,,
100.066.713,273-406-0,68959-22-8,"1,2-dimethyl-3-[(4-sulphonatophenyl)methyl]-5-(trifluoromethyl)-1H-benzimidazolium","4-{[2,3-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-3,1-benzimidazol-3-ium-1-yl]methyl}benzenesulfonate",CC1N(Cc2ccc(cc2)S(=O)(=O)[O-])c3cc(ccc3[NH+]1C)C(F)(F)F,CC1N(Cc2ccc(cc2)S(=O)(=O)[O-])c3cc(ccc3[NH+]1C)C(F)(F)F,"InChI=1/C17H17F3N2O3S/c1-11-21(2)15-8-5-13(17(18,19)20)9-16(15)22(11)10-12-3-6-14(7-4-12)26(23,24)25/h3-9,11H,10H2,1-2H3,(H,23,24,25)",C17H15F3N2O3S,,,,,,AQYGMIAPMUANPH-UHFFFAOYSA-N,,,,,,,,,,,
100.066.718,273-411-8,68959-28-4,(Z)-6-(3-hexenyl)tetrahydro-2H-pyran-2-one,6-hex-3-en-1-yltetrahydro-2H-pyran-2-one,CC\\C=C/CCC1CCCC(=O)O1,CC\C=C/CCC1CCCC(=O)O1,"InChI=1/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3",C11H18O2,,,,,,UJHDFCVFLRPEJQ-ARJAWSKDSA-N,,,,,,,,,,,
100.066.724,273-418-6,68959-60-4,"N,N'-[[(1-methylethyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy-4,1-phenylene]]bisacetamide","N,N'-{(isopropylimino)bis[(2-hydroxypropane-3,1-diyl)oxy-4,1-phenylene]}diacetamide",CC(C)N(CC(O)COc1ccc(NC(=O)C)cc1)CC(O)COc2ccc(NC(=O)C)cc2,CC(C)N(CC(O)COc1ccc(NC(=O)C)cc1)CC(O)COc2ccc(NC(=O)C)cc2,"InChI=1/C25H35N3O6/c1-17(2)28(13-22(31)15-33-24-9-5-20(6-10-24)26-18(3)29)14-23(32)16-34-25-11-7-21(8-12-25)27-19(4)30/h5-12,17,22-23,31-32H,13-16H2,1-4H3,(H,26,29)(H,27,30)",C25H35N3O6,,,,,,BKDUXUMVSFIBOI-UHFFFAOYSA-N,,,,,,,,,,,
100.066.725,273-419-1,68963-18-8,"2-methylbuta-1,3-diene-1,4-diyl diacetate","2-methylbuta-1,3-diene-1,4-diyl diacetate",CC(=O)OC=CC(C)=COC(C)=O,CC(=O)OC=CC(C)=COC(C)=O,"InChI=1/C9H12O4/c1-7(6-13-9(3)11)4-5-12-8(2)10/h4-6H,1-3H3",C9H12O4,,,,,,GJTMBEFCTBJFIH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.191,273-931-5,69228-44-0,Morpholinium palmitate,morpholin-4-ium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].C1COCC[NH2+]1,CCCCCCCCCCCCCCCC(=O)[O-].C1COCC[NH2+]1,"InChI=1/C16H32O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-6-4-2-5-1/h2-15H2,1H3,(H,17,18);5H,1-4H2",C16H32O2.C4H9NO,,,,,,ISRQAVNWPOWWCA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.201,273-942-5,69275-02-1,2-hexyldecyl palmitate,2-hexyldecyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC,"InChI=1/C32H64O2/c1-4-7-10-13-15-16-17-18-19-20-21-23-26-29-32(33)34-30-31(27-24-12-9-6-3)28-25-22-14-11-8-5-2/h31H,4-30H2,1-3H3",C32H64O2,,,,,,JVXJFNLEXLGQIO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.213,273-955-6,69286-06-2,"4,4',5,5'-tetramethyl-2,2'-bisimidazole","4,4',5,5'-tetramethyl-2,2'-biimidazole",CC1=NC(=C2N=C(C)C(=N2)C)N=C1C,CC1=NC(=C2N=C(C)C(=N2)C)N=C1C,InChI=1/C10H12N4/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10/h1-4H3,C10H14N4,,,,,,UQKNFLSPZUCWKM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.219,273-961-9,69300-17-0,"7-methoxy-3,7-dimethyloctanenitrile","7-methoxy-3,7-dimethyloctanenitrile",COC(C)(C)CCCC(C)CC#N,COC(C)(C)CCCC(C)CC#N,"InChI=1/C11H21NO/c1-10(7-9-12)6-5-8-11(2,3)13-4/h10H,5-8H2,1-4H3",C11H21NO,,,,,,IUVOEDXVVOJVDB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.222,273-965-0,69316-68-3,Sodium dithioformate,sodium dithioformate,[Na+].[Na+].[O-]C=S.[O-]C=S,[Na+].[Na+].[O-]C=S.[O-]C=S,"InChI=1/2CH2OS.2Na/c2*2-1-3;;/h2*1H,(H,2,3);;/q;;2*+1/p-2",CH2S2.Na,,,,,,ITZUPSJIZKGHEX-UHFFFAOYSA-L,,,,,,,,,,,
100.067.653,274-441-4,70210-44-5,"Sodium 5-[[3-[[5-[[4-[[[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]phenyl]amino]carbonyl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxyphenyl]azo]salicylate","sodium 5-({3-[(2,4-dihydroxy-5-{[4-({4-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}phenyl)diazenyl]-4-hydroxyphenyl}diazenyl)-2-hydroxybenzoate",[Na+].O=C6N\\N=C(\\C)C6N=Nc5ccc(NC(=O)c4ccc(N=Nc3cc(N=Nc2cc(N=Nc1cc(C([O-])=O)c(O)cc1)ccc2O)c(O)cc3O)cc4)cc5,[Na+].O=C6N\N=C(\C)C6N=Nc5ccc(NC(=O)c4ccc(N=Nc3cc(N=Nc2cc(N=Nc1cc(C([O-])=O)c(O)cc1)ccc2O)c(O)cc3O)cc4)cc5,"InChI=1/C36H27N11O8.Na/c1-18-33(35(53)47-38-18)46-40-22-8-6-20(7-9-22)37-34(52)19-2-4-21(5-3-19)39-43-27-16-28(32(51)17-31(27)50)45-44-26-15-24(11-13-30(26)49)42-41-23-10-12-29(48)25(14-23)36(54)55;/h2-17,33,48-51H,1H3,(H,37,52)(H,47,53)(H,54,55);/q;+1/p-1",C36H27N11O8.Na,,,,,,VSEKOCDXVJGRLR-UHFFFAOYSA-M,,,,,,,,,,,
100.067.655,274-444-0,70210-46-7,"Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5,"InChI=1/C27H22ClN7O10S3.3Na/c1-14-8-9-18(20(10-14)47(40,41)42)33-34-23-21(48(43,44)45)12-15-11-17(46(37,38)39)13-19(22(15)24(23)36)29-26-30-25(28)31-27(32-26)35(2)16-6-4-3-5-7-16;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",C27H22ClN7O10S3.3Na,,,,,,DYKLIOJHWZQJBH-UHFFFAOYSA-K,,,,,,,,,,,
100.068.765,275-665-5,71605-85-1,Heptyl nonan-1-oate,heptyl nonanoate,CCCCCCCCC(=O)OCCCCCCC,CCCCCCCCC(=O)OCCCCCCC,"InChI=1/C16H32O2/c1-3-5-7-9-10-12-14-16(17)18-15-13-11-8-6-4-2/h3-15H2,1-2H3",C16H32O2,,,,,,ARSLOAKOWGOSEX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.778,275-679-1,71607-38-0,Ethyl(2-ethylhexyl)dimethylammonium bromide,"N,2-diethyl-N,N-dimethylhexan-1-aminium bromide",[Br-].CCCCC(CC)C[N+](C)(C)CC,[Br-].CCCCC(CC)C[N+](C)(C)CC,"InChI=1/C12H28N.BrH/c1-6-9-10-12(7-2)11-13(4,5)8-3;/h12H,6-11H2,1-5H3;1H/q+1;/p-1",C12H28N.Br,,,,,,IWNNQWZKDFOZPB-UHFFFAOYSA-M,,,,,,,,,,,
100.068.789,275-691-7,71607-50-6,1-aminobutyl oleate,1-aminobutyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(N)CCC,CCCCCCCC\C=C/CCCCCCCC(=O)OC(N)CCC,"InChI=1/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22(24)25-21(23)19-4-2/h11-12,21H,3-10,13-20,23H2,1-2H3",C22H43NO2,,,,,,SBJNWEHQBBAMQJ-QXMHVHEDSA-N,,,,,,,,,,,
100.068.796,275-699-0,71617-08-8,(dimethoxymethyl)anisole,1-(dimethoxymethyl)-2-methoxybenzene,COC(OC)c1ccccc1OC,COC(OC)c1ccccc1OC,"InChI=1/C10H14O3/c1-11-9-7-5-4-6-8(9)10(12-2)13-3/h4-7,10H,1-3H3",C10H14O3,,,,,,OQLVAPNQEWZTIW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.797,275-700-4,71617-09-9,(methoxyphenyl)methyl isovalerate,2-methoxybenzyl 3-methylbutanoate,COc1ccccc1COC(=O)CC(C)C,COc1ccccc1COC(=O)CC(C)C,"InChI=1/C13H18O3/c1-10(2)8-13(14)16-9-11-6-4-5-7-12(11)15-3/h4-7,10H,8-9H2,1-3H3",C13H18O3,,,,,,YYOXJEOOELOSHT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.804,275-708-8,71617-16-8,2-methyl-6-methyleneoct-7-en-2-yl formate,"1,1-dimethyl-5-methylenehept-6-en-1-yl formate",CC(C)(CCCC(=C)C=C)OC=O,CC(C)(CCCC(=C)C=C)OC=O,"InChI=1/C11H18O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9H,1-2,6-8H2,3-4H3",C11H18O2,,,,,,ZIGSZAHSKNQFRB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.806,275-710-9,71617-18-0,"6,6-dimethylheptyl acetate","6,6-dimethylheptyl acetate",CC(=O)OCCCCCC(C)(C)C,CC(=O)OCCCCCC(C)(C)C,"InChI=1/C11H22O2/c1-10(12)13-9-7-5-6-8-11(2,3)4/h5-9H2,1-4H3",C11H22O2,,,,,,KMRJEJMGUAKIDS-UHFFFAOYSA-N,,,,,,,,,,,
100.064.169,270-608-0,68457-79-4,"Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters, zinc salts","zinc bis(O,O-diisobutyl dithiophosphate)",[Zn+2].CC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C,[Zn+2].CC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C,"InChI=1/2C8H19O2PS2.Zn/c2*1-7(2)5-9-11(12,13)10-6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14756,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.169,CFGBPGNQMWYJPH-UHFFFAOYSA-L,,,,,,,,,,,
100.064.178,270-618-5,68459-80-3,"Formic acid, compound with N,N-dimethylcyclohexylamine (1:1)","formic acid - N,N-dimethylcyclohexanamine (1:1)",CN(C)C1CCCCC1.OC=O,CN(C)C1CCCCC1.OC=O,"InChI=1/C8H17N.CH2O2/c1-9(2)8-6-4-3-5-7-8;2-1-3/h8H,3-7H2,1-2H3;1H,(H,2,3)",C8H17N.CH2O2,,,,,,DAMFDFKOXMYOTN-UHFFFAOYSA-N,,,,,,,,,,,
100.065.952,272-569-5,68877-63-4,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)allylamino]-4-methoxyphenyl]acetamide","N-{5-[allyl(2-cyanoethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CCC#N)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CCC#N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H20BrN7O6/c1-4-7-27(8-5-6-23)18-11-16(24-13(2)30)17(12-20(18)35-3)25-26-21-15(22)9-14(28(31)32)10-19(21)29(33)34/h4,9-12H,1,5,7-8H2,2-3H3,(H,24,30)",C21H20BrN7O6,,,,,,WUAQCCUTLFMZFP-UHFFFAOYSA-N,,,,,,,,,,,
100.065.957,272-574-2,68890-66-4,"1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one, compound with 2-aminoethanol (1:1)","1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one - 2-aminoethanol (1:1)",CC(CC1=CC(=CC(=O)N1O)C)CC(C)(C)C.NCCO,CC(CC1=CC(=CC(=O)N1O)C)CC(C)(C)C.NCCO,"InChI=1/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2",C14H23NO2.C2H7NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5490,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.957,BTSZTGGZJQFALU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.279,282-833-1,84434-35-5,2-[[5-(methoxycarbonyl)-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]-1-methylquinolinium,"4-[5-(methoxycarbonyl)-2-[(1-methylquinolinium-2-yl)methylene]-1,3-benzothiazol-3(2H)-yl]butane-1-sulfonate",COC(=O)c1cc4c(cc1)SC(=Cc2ccc3ccccc3[n+]2C)N4CCCCS([O-])(=O)=O,COC(=O)c1cc4c(cc1)SC(=Cc2ccc3ccccc3[n+]2C)N4CCCCS([O-])(=O)=O,"InChI=1/C24H24N2O5S2/c1-25-19(11-9-17-7-3-4-8-20(17)25)16-23-26(13-5-6-14-33(28,29)30)21-15-18(24(27)31-2)10-12-22(21)32-23/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3",C24H24N2O5S2,,,,,,OGVGWGGXMWGPSC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.281,282-835-2,84434-37-7,"1,4,5-tris[[4-(1,1-dimethylethyl)phenyl]thio]-8-(phenylthio)anthraquinone","1,4,5-tris[(4-tert-butylphenyl)sulfanyl]-8-(phenylsulfanyl)-9,10-anthraquinone",CC(C)(C)c1ccc(Sc2ccc(Sc3ccccc3)c4C(=O)c5c(Sc6ccc(cc6)C(C)(C)C)ccc(Sc7ccc(cc7)C(C)(C)C)c5C(=O)c24)cc1,CC(C)(C)c1ccc(Sc2ccc(Sc3ccccc3)c4C(=O)c5c(Sc6ccc(cc6)C(C)(C)C)ccc(Sc7ccc(cc7)C(C)(C)C)c5C(=O)c24)cc1,"InChI=1/C50H48O2S4/c1-48(2,3)31-15-21-35(22-16-31)54-39-28-27-38(53-34-13-11-10-12-14-34)42-43(39)47(52)45-41(56-37-25-19-33(20-26-37)50(7,8)9)30-29-40(44(45)46(42)51)55-36-23-17-32(18-24-36)49(4,5)6/h10-30H,1-9H3",C50H48O2S4,,,,,,HGBWYYMBPQTZNS-UHFFFAOYSA-N,,,,,,,,,,,
100.075.282,282-836-8,84434-38-8,"1,4,5,8-tetrakis[[4-(1,1-dimethylethyl)phenyl]thio]anthraquinone","1,4,5,8-tetrakis[(4-tert-butylphenyl)sulfanyl]-9,10-anthraquinone",CC(C)(C)c1ccc(Sc2ccc(Sc3ccc(cc3)C(C)(C)C)c4C(=O)c5c(Sc6ccc(cc6)C(C)(C)C)ccc(Sc7ccc(cc7)C(C)(C)C)c5C(=O)c24)cc1,CC(C)(C)c1ccc(Sc2ccc(Sc3ccc(cc3)C(C)(C)C)c4C(=O)c5c(Sc6ccc(cc6)C(C)(C)C)ccc(Sc7ccc(cc7)C(C)(C)C)c5C(=O)c24)cc1,"InChI=1/C54H56O2S4/c1-51(2,3)33-13-21-37(22-14-33)57-41-29-30-42(58-38-23-15-34(16-24-38)52(4,5)6)46-45(41)49(55)47-43(59-39-25-17-35(18-26-39)53(7,8)9)31-32-44(48(47)50(46)56)60-40-27-19-36(20-28-40)54(10,11)12/h13-32H,1-12H3",C54H56O2S4,,,,,,PQCMPESVEIOFCU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.286,282-841-5,84434-42-4,"2-methyl-6-(phenylazo)benzene-1,3-diamine","2-methyl-4-(phenyldiazenyl)benzene-1,3-diamine",Nc2ccc(N=Nc1ccccc1)c(N)c2C,Nc2ccc(N=Nc1ccccc1)c(N)c2C,"InChI=1/C13H14N4/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10/h2-8H,14-15H2,1H3",C13H14N4,,,,,,CAGBLWRDOQVQDD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.263,285-019-4,85005-89-6,Bis[3-(diethylamino)-7-[(m-tolyl)amino]phenoxazin-5-ium] tetrachlorozincate,bis{3-(diethylamino)-7-[(3-methylphenyl)amino]phenoxazin-5-ium} tetrachlorozincate(2-),CCN(CC)c1ccc2nc3ccc(Nc4cccc(C)c4)cc3[o+]c2c1.CCN(CC)c5ccc6nc7ccc(Nc8cccc(C)c8)cc7[o+]c6c5.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc2nc3ccc(Nc4cccc(C)c4)cc3[o+]c2c1.CCN(CC)c5ccc6nc7ccc(Nc8cccc(C)c8)cc7[o+]c6c5.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C23H24N3O.4ClH.Zn/c2*1-4-26(5-2)19-10-12-21-23(15-19)27-22-14-18(9-11-20(22)25-21)24-17-8-6-7-16(3)13-17;;;;;/h2*6-15,24H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C23H24N3O.Cl4Zn/c2*1-4-26(5-2)19-10-12-21-23(15-19)27-22-14-18(9-11-20(22)25-21)24-17-8-6-7-16(3)13-17;1-5(2,3)4/h2*6-15,24H,4-5H2,1-3H3;/q2*+1;-2",C23H24N3O.1/2Cl4Zn,,,,,,KDIVFMROZVIZIF-UHFFFAOYSA-J,,,,,,,,,,,
100.077.265,285-022-0,85005-91-0,"Aluminium 3-hydroxynaphthalene-2,7-disulphonate (2:3)","aluminium 3-hydroxynaphthalene-2,7-disulphonate (2:3)",[AlH3].[AlH3].Oc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].Oc3cc4ccc(cc4cc3S(=O)(=O)[O-])S(=O)(=O)[O-].Oc5cc6ccc(cc6cc5S(=O)(=O)[O-])S(=O)(=O)[O-],[AlH3].[AlH3].Oc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].Oc3cc4ccc(cc4cc3S(=O)(=O)[O-])S(=O)(=O)[O-].Oc5cc6ccc(cc6cc5S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/3C10H8O7S2.2Al.6H/c3*11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;;;;;;;/h3*1-5,11H,(H,12,13,14)(H,15,16,17);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3C10H8O7S2.2AlH3/c3*11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h3*1-5,11H,(H,12,13,14)(H,15,16,17);2*1H3/q;;;2*+3/p-6",C10H8O7S2.2/3Al,,,,,,IRBHFWLGXXWVBE-UHFFFAOYSA-H,,,,,,,,,,,
100.077.267,285-024-1,85005-94-3,Bis(3-chloro-2-hydroxypropyl)diethylammonium toluene-p-sulphonate,"3-chloro-N-(3-chloro-2-hydroxypropyl)-N,N-diethyl-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate",CC[N+](CC)(CC(O)CCl)CC(O)CCl.Cc1ccc(cc1)S(=O)(=O)[O-],CC[N+](CC)(CC(O)CCl)CC(O)CCl.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C10H22Cl2NO2.C7H8O3S/c1-3-13(4-2,7-9(14)5-11)8-10(15)6-12;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,14-15H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C10H22Cl2NO2.C7H7O3S,,,,,,ASQPAZOHJBRJBC-UHFFFAOYSA-M,,,,,,,,,,,
100.077.268,285-025-7,85005-95-4,"O,O-diisopropyl hydrogen dithiophosphate, compound with 2-aminoethanol (1:1)","O,O-diisopropyl hydrogen dithiophosphate - 2-aminoethanol (1:1)",CC(C)OP(=S)(S)OC(C)C.NCCO,CC(C)OP(=S)(S)OC(C)C.NCCO,"InChI=1/C6H15O2PS2.C2H7NO/c1-5(2)7-9(10,11)8-6(3)4;3-1-2-4/h5-6H,1-4H3,(H,10,11);4H,1-3H2",C6H15O2PS2.C2H7NO,,,,,,QYIYCOPOMQQMSY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.270,285-027-8,85005-97-6,"O,O-diethyl hydrogen dithiophosphate, compound with 2-aminoethanol (1:1)","O,O-diethyl hydrogen dithiophosphate - 2-aminoethanol (1:1)",CCOP(=S)(S)OCC.NCCO,CCOP(=S)(S)OCC.NCCO,"InChI=1/C4H11O2PS2.C2H7NO/c1-3-5-7(8,9)6-4-2;3-1-2-4/h3-4H2,1-2H3,(H,8,9);4H,1-3H2",C4H11O2PS2.C2H7NO,,,,,,NYRMSAXZQWUXFY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.276,285-034-6,85006-03-7,Bis(2-hexyldecyl) maleate,bis(2-hexyldecyl) but-2-enedioate,CCCCCCCCC(CCCCCC)COC(=O)\\C=C/C(=O)OCC(CCCCCC)CCCCCCCC,CCCCCCCCC(CCCCCC)COC(=O)\C=C/C(=O)OCC(CCCCCC)CCCCCCCC,"InChI=1/C36H68O4/c1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)31-39-35(37)29-30-36(38)40-32-34(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h29-30,33-34H,5-28,31-32H2,1-4H3",C36H68O4,,,,,,WVWNMPSIIYQZIT-FLWNBWAVSA-N,,,,,,,,,,,
100.069.589,276-571-7,72280-52-5,"Prop-2-ynyl 2-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]propionate","prop-2-yn-1-yl 2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoate",CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OCC#C,CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OCC#C,"InChI=1/C17H13Cl2NO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3",C17H13Cl2NO4,,,,,,ASALLPQQHGTWEF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.590,276-572-2,72283-34-2,"Ethanol, 2-butoxy-, phosphate, sodium salt",-,[Na+].CCCCOCCOP(=O)([O-])[O-],[Na+].CCCCOCCOP(=O)([O-])[O-],"InChI=1/C6H15O5P.Na/c1-2-3-4-10-5-6-11-12(7,8)9;/h2-6H2,1H3,(H2,7,8,9);/q;+1/p-2",-,,,,,,PPAVTAZRZOENLL-UHFFFAOYSA-L,,,,,,,,,,,
100.069.607,276-591-6,72333-13-2,Triammonium trihydrogen [nitrilotris(methylene)]trisphosphonate,triammonium trihydrogen [nitrilotris(methylene)]tris(phosphonate),[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.3H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);3*1H3/p-3",C3H12NO9P3.3H3N,,,,,,XOEJKAZUCCZDKW-UHFFFAOYSA-K,,,,,,,,,,,
100.069.608,276-592-1,72333-14-3,2-chloro-5-(4-chlorophenoxy)-4-diethylaminobenzenediazonium tetrachlorozincate (2:1),bis[2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium] tetrachlorozincate(2-),CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.CCN(CC)c3cc(Cl)c(cc3Oc4ccc(Cl)cc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.CCN(CC)c3cc(Cl)c(cc3Oc4ccc(Cl)cc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C16H16Cl2N3O.4ClH.Zn/c2*1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;;;;;/h2*5-10H,3-4H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C16H16Cl2N3O.Cl4Zn/c2*1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;1-5(2,3)4/h2*5-10H,3-4H2,1-2H3;/q2*+1;-2",C16H16Cl2N3O.1/2Cl4Zn,,,,,,MCOPTOSAJDIXEO-UHFFFAOYSA-J,,,,,,,,,,,
100.069.611,276-595-8,72361-36-5,Methyl 5-oxodecenoate,methyl 5-oxodec-2-enoate,O=C(CC=CC(=O)OC)CCCCC,O=C(CC=CC(=O)OC)CCCCC,"InChI=1/C11H18O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,9H,3-5,7-8H2,1-2H3",C11H18O3,,,,,,LZZLATQXZPEVKD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.612,276-596-3,72361-39-8,"1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethyl]pyridinium chloride","1-{2-[(4-{[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl)(ethyl)amino]ethyl}pyridinium chloride",[Cl-].CN(C)S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2ccc(cc2)N(CC[n+]3ccccc3)CC,[Cl-].CN(C)S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2ccc(cc2)N(CC[n+]3ccccc3)CC,"InChI=1/C23H26Cl2N5O2S.ClH/c1-4-30(15-14-29-12-6-5-7-13-29)19-10-8-18(9-11-19)26-27-22-16-21(25)23(17-20(22)24)33(31,32)28(2)3;/h5-13,16-17H,4,14-15H2,1-3H3;1H/q+1;/p-1",C23H26Cl2N5O2S.Cl,,,,,,DWVBKFDBKAANAN-UHFFFAOYSA-M,,,,,,,,,,,
100.066.301,272-953-2,68921-70-0,"Methyl 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]butyrate","methyl 4-[(2-acetamido-4,5-dichlorophenyl)amino]butanoate",COC(=O)CCCNc1cc(Cl)c(Cl)cc1NC(=O)C,COC(=O)CCCNc1cc(Cl)c(Cl)cc1NC(=O)C,"InChI=1/C13H16Cl2N2O3/c1-8(18)17-12-7-10(15)9(14)6-11(12)16-5-3-4-13(19)20-2/h6-7,16H,3-5H2,1-2H3,(H,17,18)",C13H16Cl2N2O3,,,,,,ISHOUVWLWQRCDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.309,272-962-1,68921-79-9,2-[3-(3-benzyl-4-methyl-3H-thiazol-2-ylidene)prop-1-enyl]-3-benzylbenzoxazolium bromide,"3-benzyl-2-[3-(3-benzyl-4-methyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium bromide",[Br-].C\\C5=C\\SC(=CC=Cc2oc3ccccc3[n+]2Cc1ccccc1)N5Cc4ccccc4,[Br-].C\C5=C\SC(=CC=Cc2oc3ccccc3[n+]2Cc1ccccc1)N5Cc4ccccc4,"InChI=1/C28H25N2OS.BrH/c1-22-21-32-28(29(22)19-23-11-4-2-5-12-23)18-10-17-27-30(20-24-13-6-3-7-14-24)25-15-8-9-16-26(25)31-27;/h2-18,21H,19-20H2,1H3;1H/q+1;/p-1",C28H25N2OS.Br,,,,,,NLUPFFAEUIUXLD-UHFFFAOYSA-M,,,,,,,,,,,
100.066.315,272-968-4,68921-92-6,"3-(2,4-dichlorophenyl)lactic acid","3-(2,4-dichlorophenyl)-2-hydroxypropanoic acid",OC(Cc1ccc(Cl)cc1Cl)C(=O)O,OC(Cc1ccc(Cl)cc1Cl)C(=O)O,"InChI=1/C9H8Cl2O3/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8,12H,3H2,(H,13,14)",C9H8Cl2O3,,,,,,NBORNXKEEFIAMC-UHFFFAOYSA-N,,,,,,,,,,,
100.066.316,272-970-5,68921-93-7,"3-(3,4-dichlorophenyl)lactic acid","3-(3,4-dichlorophenyl)-2-hydroxypropanoic acid",OC(Cc1ccc(Cl)c(Cl)c1)C(=O)O,OC(Cc1ccc(Cl)c(Cl)c1)C(=O)O,"InChI=1/C9H8Cl2O3/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,12H,4H2,(H,13,14)",C9H8Cl2O3,,,,,,QREPBOPOIRZWDG-UHFFFAOYSA-N,,,,,,,,,,,
100.066.317,272-971-0,68921-94-8,"2,3-dihydro-2-hydroxy-5-nitro-2-phenyl-1H-pyrimidin-4-one","2-hydroxy-5-nitro-2-phenyl-2,3-dihydropyrimidin-4(1H)-one",OC1(NC=C(C(=O)N1)[N+](=O)[O-])c2ccccc2,OC1(NC=C(C(=O)N1)[N+](=O)[O-])c2ccccc2,"InChI=1/C10H9N3O4/c14-9-8(13(16)17)6-11-10(15,12-9)7-4-2-1-3-5-7/h1-6,11,15H,(H,12,14)",C10H9N3O4,,,,,,MJRPEWPUAWOOQS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.421,274-186-9,69888-90-0,3-(3-fluoro-4-methoxyphenyl)propionic acid,3-(3-fluoro-4-methoxyphenyl)propanoic acid,COc1ccc(CCC(=O)O)cc1F,COc1ccc(CCC(=O)O)cc1F,"InChI=1/C10H11FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)",C10H11FO3,,,,,,KBFWVRMLCVYIRL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.227,273-970-8,69340-58-5,"1,2,3,4,4a,5,6,7-octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine","2,2,4a,7,7-pentamethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine",CC1(C)CCC2(C)CCC(C)(C)N=C2N1,CC1(C)CCC2(C)CCC(C)(C)N=C2N1,"InChI=1/C13H24N2/c1-11(2)6-8-13(5)9-7-12(3,4)15-10(13)14-11/h6-9H2,1-5H3,(H,14,15)",C13H24N2,,,,,,OEOPGVPCZRQSMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.625,270-008-9,68400-02-2,2-[(5-amino-2-methoxyphenyl)sulphonyl]ethanol hydrochloride,2-[(5-amino-2-methoxyphenyl)sulfonyl]ethanol hydrochloride,Cl.COc1ccc(N)cc1S(=O)(=O)CCO,Cl.COc1ccc(N)cc1S(=O)(=O)CCO,"InChI=1/C9H13NO4S.ClH/c1-14-8-3-2-7(10)6-9(8)15(12,13)5-4-11;/h2-3,6,11H,4-5,10H2,1H3;1H",C9H13NO4S.ClH,,,,,,YFLFCBIPJWWXKH-UHFFFAOYSA-N,,,,,,,,,,,
100.063.626,270-009-4,68400-03-3,Pentapotassium pentahydrogen [[bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methyl]phosphonate,pentapotassium pentahydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.5K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;/q;5*+1/p-10",C9H28N3O15P5.5K,,,,,,WINPSFDIQBKBMF-UHFFFAOYSA-D,,,,,,,,,,,
100.063.634,270-018-3,68400-29-3,Sodium 3-[[4-[(4-hydroxyphenyl)azo]-3-methoxyphenyl]azo]benzenesulphonate,sodium 3-({4-[(4-hydroxyphenyl)diazenyl]-3-methoxyphenyl}diazenyl)benzenesulfonate,[Na+].COc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,[Na+].COc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3cccc(c3)S([O-])(=O)=O,"InChI=1/C19H16N4O5S.Na/c1-28-19-12-15(22-21-14-3-2-4-17(11-14)29(25,26)27)7-10-18(19)23-20-13-5-8-16(24)9-6-13;/h2-12,24H,1H3,(H,25,26,27);/q;+1/p-1",C19H16N4O5S.Na,,,,,,CHEXUCJOYNXPSM-UHFFFAOYSA-M,,,,,,,,,,,
100.063.636,270-020-4,68400-32-8,Bis[4-[(3-carboxy-4-hydroxyphenyl)azo]-2-methoxynaphthalene-1-diazonium] sulphate,bis{4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-methoxynaphthalene-1-diazonium} sulfate,[O-]S([O-])(=O)=O.OC(=O)c1cc(ccc1O)N=Nc2cc(OC)c([N+]#N)c3ccccc23.OC(=O)c1cc(ccc1O)N=Nc2cc(OC)c([N+]#N)c3ccccc23,[O-]S([O-])(=O)=O.OC(=O)c1cc(ccc1O)N=Nc2cc(OC)c([N+]#N)c3ccccc23.OC(=O)c1cc(ccc1O)N=Nc2cc(OC)c([N+]#N)c3ccccc23,"InChI=1/2C18H12N4O4.H2O4S/c2*1-26-16-9-14(11-4-2-3-5-12(11)17(16)20-19)22-21-10-6-7-15(23)13(8-10)18(24)25;1-5(2,3)4/h2*2-9H,1H3,(H-,22,23,24,25);(H2,1,2,3,4)",C18H13N4O4.1/2O4S,,,,,,PBYLPYDNZFJAQH-UHFFFAOYSA-N,,,,,,,,,,,
100.063.637,270-022-5,68400-33-9,"Tetrasodium 2,2'-[carbonylbis[imino(1-hydroxy-3-sulphonato-6,2-naphthalenediyl)azo-3,1-phenyleneimino]]bis(2-oxoacetate)",tetrasodium [(3-{[6-({[6-({3-[(carboxylatocarbonyl)amino]phenyl}diazenyl)-5-hydroxy-7-sulfonato-2-naphthyl]carbamoyl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}phenyl)amino](oxo)acetate (non-preferred name),[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(=O)Nc1cccc(c1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5cc(NC(=O)C([O-])=O)ccc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(=O)Nc1cccc(c1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5cc(NC(=O)C([O-])=O)ccc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C37H26N8O15S2.4Na/c46-31-25-9-7-21(11-17(25)13-27(61(55,56)57)29(31)44-42-23-5-1-3-19(15-23)38-33(48)35(50)51)40-37(54)41-22-8-10-26-18(12-22)14-28(62(58,59)60)30(32(26)47)45-43-24-6-2-4-20(16-24)39-34(49)36(52)53;;;;/h1-16,46-47H,(H,38,48)(H,39,49)(H,50,51)(H,52,53)(H2,40,41,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4",C37H26N8O15S2.4Na,,,,,,QWFROOTVCVGUPI-UHFFFAOYSA-J,,,,,,,,,,,
100.063.640,270-025-1,68400-36-2,"Disodium 4-amino-5-hydroxy-6-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-6-({4'-[(4-hydroxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5)cc6,[Na+].[Na+].Oc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5)cc6,"InChI=1/C36H28N8O10S2.2Na/c1-19-15-21(3-13-28(19)40-38-25-7-11-27(45)12-8-25)22-4-14-29(20(2)16-22)41-43-35-31(56(52,53)54)18-23-17-30(55(49,50)51)34(33(37)32(23)36(35)46)42-39-24-5-9-26(10-6-24)44(47)48;;/h3-18,45-46H,37H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2",C36H28N8O10S2.2Na,,,,,,SSFXAWTYRYVUTP-UHFFFAOYSA-L,,,,,,,,,,,
100.063.649,270-035-6,68400-46-4,"2,5-bis(1-methylethoxy)-4-(morpholino)benzenediazonium tetrafluoroborate","2,5-diisopropoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate",CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.F[B-](F)(F)F,CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.F[B-](F)(F)F,"InChI=1/C16H24N3O3.BF4/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;2-1(3,4)5/h9-12H,5-8H2,1-4H3;/q+1;-1",C16H24N3O3.BF4,,,,,,KSJKLYOQRFXVSX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.651,270-037-7,68400-48-6,"2,5-diethoxy-4-[(p-tolyl)thio]aniline","2,5-diethoxy-4-[(4-methylphenyl)sulfanyl]aniline",CCOc1cc(Sc2ccc(C)cc2)c(OCC)cc1N,CCOc1cc(Sc2ccc(C)cc2)c(OCC)cc1N,"InChI=1/C17H21NO2S/c1-4-19-15-11-17(16(20-5-2)10-14(15)18)21-13-8-6-12(3)7-9-13/h6-11H,4-5,18H2,1-3H3",C17H21NO2S,,,,,,ONYJVUIBPVYRDL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.657,270-044-5,68400-54-4,"1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one",1-(4-tert-butylphenyl)-2-hydroxy-2-methylpropan-1-one,CC(C)(C)c1ccc(cc1)C(=O)C(C)(C)O,CC(C)(C)c1ccc(cc1)C(=O)C(C)(C)O,"InChI=1/C14H20O2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4,5)16/h6-9,16H,1-5H3",C14H20O2,,,,,,JHXJMPVUVKIGKC-UHFFFAOYSA-N,,,,,,,,,,,
100.065.964,272-582-6,68891-89-4,"2-methyl-2-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)-1,3-dioxolane","2-methyl-2-(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)-1,3-dioxolane",CC1=CCC2C(C1C3(C)OCCO3)C2(C)C,CC1=CCC2C(C1C3(C)OCCO3)C2(C)C,"InChI=1/C14H22O2/c1-9-5-6-10-12(13(10,2)3)11(9)14(4)15-7-8-16-14/h5,10-12H,6-8H2,1-4H3",C14H22O2,,,,,,XKYYKRRWLSWDPX-UHFFFAOYSA-N,,,,,,,,,,,
100.065.977,272-596-2,68892-10-4,"[(4-undecylcyclopent-1-ene-1,2-diyl)bis(oxy)]bis[trimethylsilane]","[(4-undecylcyclopent-1-ene-1,2-diyl)bis(oxy)]bis(trimethylsilane)",CCCCCCCCCCCC1CC(=C(C1)O[Si](C)(C)C)O[Si](C)(C)C,CCCCCCCCCCCC1CC(=C(C1)O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C22H46O2Si2/c1-8-9-10-11-12-13-14-15-16-17-20-18-21(23-25(2,3)4)22(19-20)24-26(5,6)7/h20H,8-19H2,1-7H3",C22H46O2Si2,,,,,,AOTLKIISJBQSTG-UHFFFAOYSA-N,,,,,,,,,,,
100.065.987,272-607-0,68892-23-9,(Z)-didecyl(dodec-1-enyl)aluminium,didecyl(dodec-1-en-1-yl)aluminum,CCCCCCCCCC\\C=C/[Al](CCCCCCCCCC)CCCCCCCCCC,CCCCCCCCCC\C=C/[Al](CCCCCCCCCC)CCCCCCCCCC,"InChI=1/C12H23.2C10H21.Al/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3-5-7-9-10-8-6-4-2;/h1,3H,4-12H2,2H3;2*1,3-10H2,2H3;/rC32H65Al/c1-4-7-10-13-16-19-20-23-26-29-32-33(30-27-24-21-17-14-11-8-5-2)31-28-25-22-18-15-12-9-6-3/h29,32H,4-28,30-31H2,1-3H3",C32H65Al,,,,,,ZKBVGYDDAFNYRL-UHFFFAOYSA-N,,,,,,,,,,,
100.065.991,272-611-2,68892-27-3,(Z)-tetradec-3-enol,tetradec-3-en-1-ol,CCCCCCCCCC\\C=C/CCO,CCCCCCCCCC\C=C/CCO,"InChI=1/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12,15H,2-10,13-14H2,1H3",C14H28O,,,,,,DQELOVNSWGCVQZ-QXMHVHEDSA-N,,,,,,,,,,,
100.065.993,272-613-3,68892-30-8,Hydroxydinonylbenzenesulphonic acid,"2-hydroxy-3,4-dinonylbenzenesulfonic acid",CCCCCCCCCc1ccc(c(O)c1CCCCCCCCC)S(=O)(=O)O,CCCCCCCCCc1ccc(c(O)c1CCCCCCCCC)S(=O)(=O)O,"InChI=1/C24H42O4S/c1-3-5-7-9-11-13-15-17-21-19-20-23(29(26,27)28)24(25)22(21)18-16-14-12-10-8-6-4-2/h19-20,25H,3-18H2,1-2H3,(H,26,27,28)",C24H42O4S,,,,,,ZPAOFJRSHDHADM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.673,274-463-4,70225-17-1,"Bis(2-hydroxyethyl)ammonium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonate","2-hydroxy-N-(2-hydroxyethyl)ethanaminium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate",OCC[NH2+]CCO.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCC[NH2+]CCO.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C5HF11O3S.C4H11NO2/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;6-3-1-5-2-4-7/h(H,17,18,19);5-7H,1-4H2",C5HF11O3S.C4H11NO2,,,,,,YCMYOAOBWUIFST-UHFFFAOYSA-N,,,,,,,,,,,
100.067.676,274-467-6,70225-22-8,Bis[trimethyl-3-[[(nonafluorobutyl)sulphonyl]amino]propylammonium] sulphate,"bis(N,N,N-trimethyl-3-{[(nonafluorobutyl)sulfonyl]amino}propan-1-aminium) sulfate",C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-],"InChI=1/2C10H16F9N2O2S.H2O4S/c2*1-21(2,3)6-4-5-20-24(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17;1-5(2,3)4/h2*20H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C10H16F9N2O2S.1/2O4S,,,,,,DENZIOFHNROMAE-UHFFFAOYSA-L,,,,,,,,,,,
100.068.810,275-715-6,71617-22-6,"2,2'-[sulphonylbis(4,1-phenylenenitrilomethylidyne)]bis[4-bromophenol]","2,2'-[sulfonylbis(4,1-phenylenenitrilomethylylidene)]bis(4-bromophenol)",Oc4ccc(Br)cc4C=Nc1ccc(cc1)S(=O)(=O)c3ccc(N=Cc2cc(Br)ccc2O)cc3,Oc4ccc(Br)cc4C=Nc1ccc(cc1)S(=O)(=O)c3ccc(N=Cc2cc(Br)ccc2O)cc3,"InChI=1/C26H18Br2N2O4S/c27-19-1-11-25(31)17(13-19)15-29-21-3-7-23(8-4-21)35(33,34)24-9-5-22(6-10-24)30-16-18-14-20(28)2-12-26(18)32/h1-16,31-32H",C26H18Br2N2O4S,,,,,,NPEVWRUTPSBGLH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.812,275-717-7,71617-24-8,"2-[bis(3,5-dibromo-4-hydroxyphenyl)hydroxymethyl]benzenesulphonic acid","2-[bis(3,5-dibromo-4-hydroxyphenyl)(hydroxy)methyl]benzenesulfonic acid",Oc1c(Br)cc(cc1Br)C(O)(c2cc(Br)c(O)c(Br)c2)c3ccccc3S(=O)(=O)O,Oc1c(Br)cc(cc1Br)C(O)(c2cc(Br)c(O)c(Br)c2)c3ccccc3S(=O)(=O)O,"InChI=1/C19H12Br4O6S/c20-12-5-9(6-13(21)17(12)24)19(26,10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)30(27,28)29/h1-8,24-26H,(H,27,28,29)",C19H12Br4O6S,,,,,,MKXKLZXWKMTVLR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.813,275-718-2,71617-25-9,"2,2'-[[2-methyl-1-(1-methylethyl)propyl]imino]bisethanol","2,2'-[(1-isopropyl-2-methylpropyl)imino]diethanol",CC(C)C(C(C)C)N(CCO)CCO,CC(C)C(C(C)C)N(CCO)CCO,"InChI=1/C11H25NO2/c1-9(2)11(10(3)4)12(5-7-13)6-8-14/h9-11,13-14H,5-8H2,1-4H3",C11H25NO2,,,,,,LTRVNMADAVPVJC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.821,275-727-1,71621-70-0,"1,3,5,5-tetramethylhexyl acetate","1,3,5,5-tetramethylhexyl acetate",CC(CC(C)OC(=O)C)CC(C)(C)C,CC(CC(C)OC(=O)C)CC(C)(C)C,"InChI=1/C12H24O2/c1-9(8-12(4,5)6)7-10(2)14-11(3)13/h9-10H,7-8H2,1-6H3",C12H24O2,,,,,,NBDTZVVEDLDLSG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.827,275-733-4,71630-67-6,"4,5-dinitroanthracen-9(10H)-one","4,5-dinitroanthracen-9(10H)-one",[O-][N+](=O)c1cccc2C(=O)c3cccc(c3Cc12)[N+](=O)[O-],[O-][N+](=O)c1cccc2C(=O)c3cccc(c3Cc12)[N+](=O)[O-],"InChI=1/C14H8N2O5/c17-14-8-3-1-5-12(15(18)19)10(8)7-11-9(14)4-2-6-13(11)16(20)21/h1-6H,7H2",C14H8N2O5,,,,,,SHETWBIODFGNGI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.845,275-753-3,71648-25-4,Sodium 2-ethylacetoacetate,sodium 2-ethyl-3-oxobutanoate,[Na+].CCC(C(=O)C)C(=O)[O-],[Na+].CCC(C(=O)C)C(=O)[O-],"InChI=1/C6H10O3.Na/c1-3-5(4(2)7)6(8)9;/h5H,3H2,1-2H3,(H,8,9);/q;+1/p-1",C6H10O3.Na,,,,,,DCZNCNBYKPIZRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.077.283,285-041-4,85006-13-9,Bis[(2-hydroxyethyl)(2-hydroxyhexadecyl)dimethylammonium] hydrogen phosphate,"bis[2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium] hydrogen phosphate",CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO.CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO.[O-]P(=O)([O-])[O-],CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO.CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO.[O-]P(=O)([O-])[O-],"InChI=1/2C20H44NO2.H3O4P/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-21(2,3)17-18-22;1-5(2,3)4/h2*20,22-23H,4-19H2,1-3H3;(H3,1,2,3,4)/q2*+1;/p-3",C20H44NO2.1/2HO4P,,,,,,XGLRCHLNJNALIO-UHFFFAOYSA-K,,,,,,,,,,,
100.077.286,285-045-6,85006-16-2,"(S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-2-[4-methoxy-3-(phosphonooxy)phenyl]-5-(phosphonooxy)-4H-1-benzopyran-4-one, disodium salt","(S)-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-2-[4-methoxy-3-(phosphonooxy)phenyl]-5-(phosphonooxy)-4H-1-benzopyran-4-one, disodium salt",[Na+].[Na+].COc1ccc(cc1OP(=O)(O)O)[C@@H]2CC(=O)c3c(OP(=O)(O)O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2,[Na+].[Na+].COc1ccc(cc1OP(=O)(O)O)[C@@H]2CC(=O)c3c(OP(=O)(O)O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2,"InChI=1/C28H36O21P2.2Na/c1-10-21(30)23(32)25(34)27(44-10)43-9-19-22(31)24(33)26(35)28(47-19)45-12-6-17-20(18(7-12)49-51(39,40)41)13(29)8-15(46-17)11-3-4-14(42-2)16(5-11)48-50(36,37)38;;/h3-7,10,15,19,21-28,30-35H,8-9H2,1-2H3,(H2,36,37,38)(H2,39,40,41);;/q;2*+1",C28H36O21P2.2Na,,,,,,ZTLCHGXEZKJBEZ-QCWCCYFDSA-N,,,,,,,,,,,
100.077.288,285-047-7,85006-18-4,1-amino-1-deoxyhexitol 6-stearate,1-amino-1-deoxy-6-O-stearoylhexitol,CCCCCCCCCCCCCCCCCC(=O)OCC(O)C(O)C(O)C(O)CN,CCCCCCCCCCCCCCCCCC(=O)OCC(O)C(O)C(O)C(O)CN,"InChI=1/C24H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h20-21,23-24,26-27,29-30H,2-19,25H2,1H3",C24H49NO6,,,,,,LRYMEBMAVMZPKA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.294,285-054-5,85006-24-2,"10-[(1,3-dimethyl-3-pyrrolidinyl)methyl]-10H-phenothiazine monohydrochloride","10-[(1,3-dimethylpyrrolidin-3-yl)methyl]-10H-phenothiazine hydrochloride",Cl.CN1CCC(C)(CN2c3ccccc3Sc4ccccc24)C1,Cl.CN1CCC(C)(CN2c3ccccc3Sc4ccccc24)C1,"InChI=1/C19H22N2S.ClH/c1-19(11-12-20(2)13-19)14-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-10H,11-14H2,1-2H3;1H",C19H22N2S.ClH,,,,,,CTHVCPPTDIONIE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.299,285-059-2,85006-30-0,"Bis[2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide] 2-hydroxypropane-1,2,3-tricarboxylate","N~2~-butyl-N-(2-chloro-6-methylphenyl)glycinamide 2-hydroxypropane-1,2,3-tricarboxylate (2:1) (salt)",CCCCNCC(=O)Nc1c(C)cccc1Cl.CCCCNCC(=O)Nc2c(C)cccc2Cl.OC(=O)CC(O)(CC(=O)O)C(=O)O,CCCCNCC(=O)Nc1c(C)cccc1Cl.CCCCNCC(=O)Nc2c(C)cccc2Cl.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/2C13H19ClN2O.C6H8O7/c2*1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C13H19ClN2O.1/2C6H8O7,,,,,,BANLAHZFNMQJRA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.301,285-061-3,85006-32-2,"Bis(N,N-diethylanilinium) heptahydrogen triphosphate","bis(N,N-diethylanilinium) heptahydrogen triphosphate",CC[NH+](CC)c1ccccc1.CC[NH+](CC)c2ccccc2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],CC[NH+](CC)c1ccccc1.CC[NH+](CC)c2ccccc2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2C10H15N.3H3O4P/c2*1-3-11(4-2)10-8-6-5-7-9-10;3*1-5(2,3)4/h2*5-9H,3-4H2,1-2H3;3*(H3,1,2,3,4)/p-7",C10H15N.3/2H3O4P,,,,,,YSRZSGUOTWODEP-UHFFFAOYSA-G,,,,,,,,,,,
100.073.411,280-775-1,83763-86-4,"2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-, sodium salt, compd. with 2,2'-(methylimino)bis[ethanol]","sodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-[(6-sulfo-2-naphthyl)diazenyl]naphthalene-2-sulfonate 2,2'-(methylimino)diethanol (1:1)",[Na+].COc7ccccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S(O)(=O)=O.OCCN(C)CCO,[Na+].COc7ccccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S(O)(=O)=O.OCCN(C)CCO,"InChI=1/C38H28N6O13S3.C5H13NO2.Na/c1-57-31-5-3-2-4-30(31)42-44-35-33(60(54,55)56)19-23-16-25(10-13-29(23)37(35)46)40-38(47)39-24-9-12-28-22(15-24)18-32(59(51,52)53)34(36(28)45)43-41-26-8-6-21-17-27(58(48,49)50)11-7-20(21)14-26;1-6(2-4-7)3-5-8;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);7-8H,2-5H2,1H3;/q;;+1/p-1",C38H28N6O13S3.xC5H13NO2.xNa,,,,,,VUZGLAFCNOJLIJ-UHFFFAOYSA-M,,,,,,,,,,,
100.073.412,280-776-7,83766-69-2,"2,2'-diisopropyl[3,3'-bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione","2,2'-diisopropyl-3,3'-bidibenzo[cd,g]indazole-6,6'(2H,2'H)-dione",CC(C)n1nc2c3ccccc3C(=O)c4ccc(c5ccc6C(=O)c7ccccc7c8nn(C(C)C)c5c68)c1c24,CC(C)n1nc2c3ccccc3C(=O)c4ccc(c5ccc6C(=O)c7ccccc7c8nn(C(C)C)c5c68)c1c24,"InChI=1/C34H26N4O2/c1-17(2)37-31-21(13-15-25-27(31)29(35-37)19-9-5-7-11-23(19)33(25)39)22-14-16-26-28-30(36-38(18(3)4)32(22)28)20-10-6-8-12-24(20)34(26)40/h5-18H,1-4H3",C34H26N4O2,,,,,,AETPJFIAJMOZJE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.416,280-780-9,83783-47-5,1-chloro-4-(1-chloro-1-butenyl)benzene,1-chloro-4-(1-chlorobut-1-en-1-yl)benzene,ClC(=CCC)c1ccc(Cl)cc1,ClC(=CCC)c1ccc(Cl)cc1,"InChI=1/C10H10Cl2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h3-7H,2H2,1H3",C10H10Cl2,,,,,,QFVHBWDSEZDIAV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.420,280-785-6,83783-51-1,3-chloro-3-(4-fluorophenyl)methacrylaldehyde,3-chloro-3-(4-fluorophenyl)-2-methylacrylaldehyde,C\\C(=C(\\Cl)/c1ccc(F)cc1)\\C=O,C\C(=C(\Cl)/c1ccc(F)cc1)\C=O,"InChI=1/C10H8ClFO/c1-7(6-13)10(11)8-2-4-9(12)5-3-8/h2-6H,1H3",C10H8ClFO,,,,,,HMNBSALOXVFVGK-YFHOEESVSA-N,,,,,,,,,,,
100.073.422,280-787-7,83783-53-3,1-(1-chloro-1-butenyl)-4-fluorobenzene,1-(1-chlorobut-1-en-1-yl)-4-fluorobenzene,ClC(=CCC)c1ccc(F)cc1,ClC(=CCC)c1ccc(F)cc1,"InChI=1/C10H10ClF/c1-2-3-10(11)8-4-6-9(12)7-5-8/h3-7H,2H2,1H3",C10H10ClF,,,,,,OUQCWPVYGZTVOD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.434,274-201-9,69898-60-8,"3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylic acid","3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid",CCOc1cc(ccc1C2(OC(=O)c3ccc(cc23)C(=O)O)c4c(C)n(CC)c5ccccc45)N(CC)CC,CCOc1cc(ccc1C2(OC(=O)c3ccc(cc23)C(=O)O)c4c(C)n(CC)c5ccccc45)N(CC)CC,"InChI=1/C32H34N2O5/c1-6-33(7-2)22-15-17-25(28(19-22)38-9-4)32(26-18-21(30(35)36)14-16-23(26)31(37)39-32)29-20(5)34(8-3)27-13-11-10-12-24(27)29/h10-19H,6-9H2,1-5H3,(H,35,36)",C32H34N2O5,,,,,,RVORTOANALJZCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.441,274-209-2,69898-67-5,"Ethyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylate","ethyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate",CCOC(=O)c1ccc2c(c1)C(=O)OC2(c3ccc(cc3OCC)N(CC)CC)c4c(C)n(CC)c5ccccc45,CCOC(=O)c1ccc2c(c1)C(=O)OC2(c3ccc(cc3OCC)N(CC)CC)c4c(C)n(CC)c5ccccc45,"InChI=1/C34H38N2O5/c1-7-35(8-2)24-17-19-28(30(21-24)39-10-4)34(31-22(6)36(9-3)29-15-13-12-14-25(29)31)27-18-16-23(32(37)40-11-5)20-26(27)33(38)41-34/h12-21H,7-11H2,1-6H3",C34H38N2O5,,,,,,PWEKGTKLJQSBOK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.447,274-216-0,69921-20-6,"2,2,5-trimethyl-5-phenyl-1,3-dioxane","2,2,5-trimethyl-5-phenyl-1,3-dioxane",CC1(C)OCC(C)(CO1)c2ccccc2,CC1(C)OCC(C)(CO1)c2ccccc2,"InChI=1/C13H18O2/c1-12(2)14-9-13(3,10-15-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3",C13H18O2,,,,,,GAGMMTUVMITPBL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.185,276-126-7,71873-50-2,"Potassium 1-amino-4-[[3-[[(2-chloro-1-oxoallyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","potassium 1-amino-4-[(3-{[(2-chloroacryloyl)amino]methyl}-2,4,6-trimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[K+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)C(=C)Cl,[K+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)C(=C)Cl,"InChI=1/C27H24ClN3O6S.K/c1-12-9-13(2)24(14(3)18(12)11-30-27(34)15(4)28)31-19-10-20(38(35,36)37)23(29)22-21(19)25(32)16-7-5-6-8-17(16)26(22)33;/h5-10,31H,4,11,29H2,1-3H3,(H,30,34)(H,35,36,37);/q;+1/p-1",C27H24ClN3O6S.K,,,,,,SLQOGIMLZHEANK-UHFFFAOYSA-M,,,,,,,,,,,
100.069.190,276-131-4,71873-58-0,Sodium 5-[[2-nitro-4-sulphamoylphenyl]amino]-2-[[4-[[2-nitro-4-sulphamoylphenyl]amino]phenyl]amino]benzenesulphonate,sodium 5-[(2-nitro-4-sulfamoylphenyl)amino]-2-({4-[(2-nitro-4-sulfamoylphenyl)amino]phenyl}amino)benzenesulfonate,[Na+].NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccc(Nc4ccc(cc4[N+](=O)[O-])S(=O)(=O)N)cc3S(=O)(=O)[O-])cc2)c(c1)[N+](=O)[O-],[Na+].NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccc(Nc4ccc(cc4[N+](=O)[O-])S(=O)(=O)N)cc3S(=O)(=O)[O-])cc2)c(c1)[N+](=O)[O-],"InChI=1/C24H21N7O11S3.Na/c25-43(36,37)17-6-9-19(22(12-17)30(32)33)27-14-1-3-15(4-2-14)28-21-8-5-16(11-24(21)45(40,41)42)29-20-10-7-18(44(26,38)39)13-23(20)31(34)35;/h1-13,27-29H,(H2,25,36,37)(H2,26,38,39)(H,40,41,42);/q;+1/p-1",C24H21N7O11S3.Na,,,,,,JZEKQMNTDOYRIO-UHFFFAOYSA-M,,,,,,,,,,,
100.069.192,276-134-0,71873-61-5,"1,8-dihydroxy-4,5-bis(phenylamino)anthraquinone","1,8-dianilino-4,5-dihydroxy-9,10-anthraquinone",Oc1ccc(Nc2ccccc2)c3C(=O)c4c(Nc5ccccc5)ccc(O)c4C(=O)c13,Oc1ccc(Nc2ccccc2)c3C(=O)c4c(Nc5ccccc5)ccc(O)c4C(=O)c13,"InChI=1/C26H18N2O4/c29-19-13-11-17(27-15-7-3-1-4-8-15)21-23(19)26(32)24-20(30)14-12-18(22(24)25(21)31)28-16-9-5-2-6-10-16/h1-14,27-30H",C26H18N2O4,,,,,,NILBWBQAUNENGK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.204,276-147-1,71888-58-9,Octadecyl cyanoacetate,octadecyl cyanoacetate,CCCCCCCCCCCCCCCCCCOC(=O)CC#N,CCCCCCCCCCCCCCCCCCOC(=O)CC#N,"InChI=1/C21H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21(23)18-19-22/h2-18,20H2,1H3",C21H39NO2,,,,,,NNBNVJGHIBGDAW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.210,276-153-4,71888-66-9,"2,2'-methylenebis-(1,3-dioxolane-4-methanol)","(methylenedi-1,3-dioxolane-2,4-diyl)dimethanol",OCC1COC(CC2OCC(CO)O2)O1,OCC1COC(CC2OCC(CO)O2)O1,"InChI=1/C9H16O6/c10-2-6-4-12-8(14-6)1-9-13-5-7(3-11)15-9/h6-11H,1-5H2",C9H16O6,,,,,,GDDKXLIRBQFWTN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.324,272-978-9,68922-06-5,3-(2-furylthio)propionaldehyde,3-(2-furylsulfanyl)propanal,O=CCCSc1occc1,O=CCCSc1occc1,"InChI=1/C7H8O2S/c8-4-2-6-10-7-3-1-5-9-7/h1,3-5H,2,6H2",C7H8O2S,,,,,,VVOWYIAEEPWSHY-UHFFFAOYSA-N,,,,,,,,,,,
100.066.328,272-983-6,68922-11-2,1-methyl-2-phenylethyl butyrate,1-methyl-2-phenylethyl butyrate,CCCC(=O)OC(C)Cc1ccccc1,CCCC(=O)OC(C)Cc1ccccc1,"InChI=1/C13H18O2/c1-3-7-13(14)15-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3",C13H18O2,,,,,,ANJRGSHRMWLHFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.331,272-986-2,68922-15-6,3-[(acetoxy)methyl]nonan-1-oic acid,3-(acetoxymethyl)nonanoic acid,CCCCCCC(COC(=O)C)CC(=O)O,CCCCCCC(COC(=O)C)CC(=O)O,"InChI=1/C12H22O4/c1-3-4-5-6-7-11(8-12(14)15)9-16-10(2)13/h11H,3-9H2,1-2H3,(H,14,15)",C12H22O4,,,,,,GDROPORAYQUYKG-UHFFFAOYSA-N,,,,,,,,,,,
100.066.334,272-989-9,68922-18-9,Pyridine-2-ethanesulphonic acid,2-pyridin-2-ylethanesulfonic acid,OS(=O)(=O)CCc1ccccn1,OS(=O)(=O)CCc1ccccn1,"InChI=1/C7H9NO3S/c9-12(10,11)6-4-7-3-1-2-5-8-7/h1-3,5H,4,6H2,(H,9,10,11)",C7H9NO3S,,,,,,VRBVUAYEXFCDPE-UHFFFAOYSA-N,,,,,,,,,,,
100.066.345,273-001-9,68928-33-6,2-mercaptoethyl decanoate,2-sulfanylethyl decanoate,CCCCCCCCCC(=O)OCCS,CCCCCCCCCC(=O)OCCS,"InChI=1/C12H24O2S/c1-2-3-4-5-6-7-8-9-12(13)14-10-11-15/h15H,2-11H2,1H3",C12H24O2S,,,,,,ZXNNPJMEFLZCMP-UHFFFAOYSA-N,,,,,,,,,,,
100.065.378,271-937-2,68631-12-9,"Tetrasodium 5-[[4'-[[2,6-diamino-4-[[8-hydroxy-3,6-disulphonato-7-[(4-sulphonato-1-naphthyl)azo]-2-naphthyl]azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate","tetrasodium 5-[(4'-{[2,6-diamino-4-({8-hydroxy-3,6-disulfonato-7-[(4-sulfonato-1-naphthyl)diazenyl]-2-naphthyl}diazenyl)phenyl]diazenyl}-3,3'-dimethylbiphenyl-4-yl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c8ccc(N=Nc7c(N)cc(N=Nc5cc6c(O)c(N=Nc4ccc(c3ccccc34)S([O-])(=O)=O)c(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)cc7N)c(C)c8,[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c8ccc(N=Nc7c(N)cc(N=Nc5cc6c(O)c(N=Nc4ccc(c3ccccc34)S([O-])(=O)=O)c(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)cc7N)c(C)c8,"InChI=1/C47H36N10O13S3.4Na/c1-23-15-25(7-10-36(23)52-50-28-9-13-40(58)33(19-28)47(60)61)26-8-11-37(24(2)16-26)53-56-44-34(48)20-29(21-35(44)49)51-55-39-22-32-27(17-42(39)72(65,66)67)18-43(73(68,69)70)45(46(32)59)57-54-38-12-14-41(71(62,63)64)31-6-4-3-5-30(31)38;;;;/h3-22,58-59H,48-49H2,1-2H3,(H,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;/q;4*+1/p-4",C47H36N10O13S3.4Na,,,,,,IEDXVLKEGIMVAQ-UHFFFAOYSA-J,,,,,,,,,,,
100.065.384,271-944-0,68647-19-8,"Phosphoric acid, isooctyl ester, potassium salt",potassium 6-methylheptyl hydrogen phosphate,[K+].CC(C)CCCCCOP(=O)(O)[O-],[K+].CC(C)CCCCCOP(=O)(O)[O-],"InChI=1/C8H19O4P.K/c1-8(2)6-4-3-5-7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+1/p-1",-,,,,,,UQSBYOJGEUTPFF-UHFFFAOYSA-M,,,,,,,,,,,
100.068.376,275-236-2,71172-63-9,<U+03B3>-methoxybenzenebutyronitrile,4-methoxy-4-phenylbutanenitrile,COC(CCC#N)c1ccccc1,COC(CCC#N)c1ccccc1,"InChI=1/C11H13NO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8H2,1H3",C11H13NO,,,,,,NBSOTRJRBXRKLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.383,275-244-6,71173-01-8,3-[2-(dodecyloxy)ethoxy]propiononitrile,3-[2-(dodecyloxy)ethoxy]propanenitrile,CCCCCCCCCCCCOCCOCCC#N,CCCCCCCCCCCCOCCOCCC#N,"InChI=1/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-14-19-16-17-20-15-12-13-18/h2-12,14-17H2,1H3",C17H33NO2,,,,,,DNKLKJXCTRNFBY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.386,275-247-2,71173-62-1,L-arginine monoacetate,L-arginine acetate,CC(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,CC(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.C2H4O2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H3,(H,3,4)",C6H14N4O2.C2H4O2,,,,,,OZBJWQQAAQSQPL-WCCKRBBISA-N,,,,,,,,,,,
100.068.392,275-254-0,71173-84-7,Disodium sulphonylbis(benzenesulphonate),"disodium 2,2'-sulfonyldibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1S(=O)(=O)c2ccccc2S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1S(=O)(=O)c2ccccc2S(=O)(=O)[O-],"InChI=1/C12H10O8S3.2Na/c13-21(14,9-5-1-3-7-11(9)22(15,16)17)10-6-2-4-8-12(10)23(18,19)20;;/h1-8H,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2",C12H10O8S3.2Na,,,,,,WFFALGJDQQFFST-UHFFFAOYSA-L,,,,,,,,,,,
100.068.395,275-257-7,71195-64-7,Diisobutyl glutarate,diisobutyl glutarate,CC(C)COC(=O)CCCC(=O)OCC(C)C,CC(C)COC(=O)CCCC(=O)OCC(C)C,"InChI=1/C13H24O4/c1-10(2)8-16-12(14)6-5-7-13(15)17-9-11(3)4/h10-11H,5-9H2,1-4H3",C13H24O4,,,,,,UFWRCRCDRAUAAO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.408,275-271-3,71215-83-3,"Disodium 5-[[4'-[(2-amino-8-hydroxy-6-sulphonato-2-naphthyl)azo]-2,2'-dichloro[1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-({4'-[(2-amino-8-hydroxy-6-sulfonato-1,2-dihydronaphthalen-2-yl)diazenyl]-2,2'-dichlorobiphenyl-4-yl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(c(Cl)c2)c3ccc(cc3Cl)N=NC4(N)\\C=C/c5cc(cc(O)c5C4)S([O-])(=O)=O,[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(c(Cl)c2)c3ccc(cc3Cl)N=NC4(N)\C=C/c5cc(cc(O)c5C4)S([O-])(=O)=O,"InChI=1/C29H21Cl2N5O7S.2Na/c30-24-11-17(34-33-16-3-6-26(37)22(10-16)28(39)40)1-4-20(24)21-5-2-18(12-25(21)31)35-36-29(32)8-7-15-9-19(44(41,42)43)13-27(38)23(15)14-29;;/h1-13,37-38H,14,32H2,(H,39,40)(H,41,42,43);;/q;2*+1/p-2",C29H19Cl2N5O7S.2Na,,,,,,BMRIUQTZOJOREO-UHFFFAOYSA-L,,,,,,,,,,,
100.068.409,275-272-9,71215-84-4,2-[[4-[ethyl(2-hydroxypropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride,"2-({4-[ethyl(2-hydroxypropyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chloride",[Cl-].CC(O)CN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[Cl-].CC(O)CN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C20H25N4O2S.ClH/c1-5-24(13-14(2)25)16-8-6-15(7-9-16)21-22-20-23(3)18-11-10-17(26-4)12-19(18)27-20;/h6-12,14,25H,5,13H2,1-4H3;1H/q+1;/p-1",C20H25N4O2S.Cl,,,,,,ZWISNCBFPSCRTK-UHFFFAOYSA-M,,,,,,,,,,,
100.067.232,273-976-0,69367-40-4,"4-(5,5-dimethyl-1,3-dioxan-2-yl)-2-ethoxyphenol","4-(5,5-dimethyl-1,3-dioxan-2-yl)-2-ethoxyphenol",CCOc1cc(ccc1O)C2OCC(C)(C)CO2,CCOc1cc(ccc1O)C2OCC(C)(C)CO2,"InChI=1/C14H20O4/c1-4-16-12-7-10(5-6-11(12)15)13-17-8-14(2,3)9-18-13/h5-7,13,15H,4,8-9H2,1-3H3",C14H20O4,,,,,,XEFZTJTXHMGSFR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.234,273-978-1,69373-08-6,"Octadecyl dihydrogen benzene-1,2,4-tricarboxylate",4-[(octadecyloxy)carbonyl]isophthalic acid,CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O,"InChI=1/C27H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(32)23-19-18-22(25(28)29)21-24(23)26(30)31/h18-19,21H,2-17,20H2,1H3,(H,28,29)(H,30,31)",C27H42O6,,,,,,YUSBCFKUFBHHNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.849,275-758-0,71648-29-8,Ethyl bromotetradecanoate,ethyl 2-bromotetradecanoate,CCCCCCCCCCCCC(Br)C(=O)OCC,CCCCCCCCCCCCC(Br)C(=O)OCC,"InChI=1/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19-4-2/h15H,3-14H2,1-2H3",C16H31BrO2,,,,,,JQQZIRFEGUUJBP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.523,274-299-3,70069-04-4,"1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol","1,4,7,10,13,16-hexaoxacyclooctadecan-2-ylmethanol",OCC1COCCOCCOCCOCCOCCO1,OCC1COCCOCCOCCOCCOCCO1,"InChI=1/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2",C13H26O7,,,,,,HFRGASADQCZXHH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.705,274-499-0,70247-70-0,"Disodium 4-[4-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate","disodium 4-[4-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate",[Na+].[Na+].BrC(=C)C(=O)Nc3cc(N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O,[Na+].[Na+].BrC(=C)C(=O)Nc3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O,"InChI=1/C19H14BrCl2N5O8S2.2Na/c1-8(20)18(28)23-10-3-4-15(36(30,31)32)13(5-10)24-25-17-9(2)26-27(19(17)29)14-6-12(22)16(7-11(14)21)37(33,34)35;;/h3-7,17H,1H2,2H3,(H,23,28)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C19H14BrCl2N5O8S2.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17089,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.705,JVURCOFLRNSPQI-UHFFFAOYSA-L,,,,,,,,,,,
100.067.720,274-516-1,70254-42-1,Quinolin-2-ol,quinolin-2-ol,Oc1ccc2ccccc2n1,Oc1ccc2ccccc2n1,"InChI=1/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)",C9H7NO,,,,,,LISFMEBWQUVKPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.722,274-518-2,70259-86-8,"1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonic acid","1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C4H2F8O3S/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15/h1H,(H,13,14,15)",C4H2F8O3S,,,,,,UTWCWKUZICRKOA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.857,275-766-4,71648-37-8,"1-isobutyl-3,5-dimethylhexyl acetate","1-isobutyl-3,5-dimethylhexyl acetate",CC(C)CC(C)CC(CC(C)C)OC(=O)C,CC(C)CC(C)CC(CC(C)C)OC(=O)C,"InChI=1/C14H28O2/c1-10(2)7-12(5)9-14(8-11(3)4)16-13(6)15/h10-12,14H,7-9H2,1-6H3",C14H28O2,,,,,,HPFLRIHGHUFYEG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.862,275-772-7,71653-43-5,2-phenylethyl nicotinate,2-phenylethyl nicotinate,O=C(OCCc1ccccc1)c2cccnc2,O=C(OCCc1ccccc1)c2cccnc2,"InChI=1/C14H13NO2/c16-14(13-7-4-9-15-11-13)17-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2",C14H13NO2,,,,,,BSTITMHKRRGVPH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.539,274-316-4,70103-35-4,"Sebacic acid, compound with 2,2',2''-nitrilotriethanol","decanedioic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)CCCCCCCCC(=O)O,OCCN(CCO)CCO.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C6H15NO3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;8-4-1-7(2-5-9)3-6-10/h1-8H2,(H,11,12)(H,13,14);8-10H,1-6H2",C10H18O4.xC6H15NO3,,,,,,LDTRLQFRPHFLGA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.542,274-320-6,70116-35-7,"(S)-4-(2-methylbutyl)phenyl 4'-octyl[1,1'-biphenyl]-4-carboxylate",4-(2-methylbutyl)phenyl 4'-octylbiphenyl-4-carboxylate,CCCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(C[C@@H](C)CC)cc3,CCCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(C[C@@H](C)CC)cc3,"InChI=1/C32H40O2/c1-4-6-7-8-9-10-11-26-12-16-28(17-13-26)29-18-20-30(21-19-29)32(33)34-31-22-14-27(15-23-31)24-25(3)5-2/h12-23,25H,4-11,24H2,1-3H3",C32H40O2,,,,,,YNJUMESZHDXQSZ-VWLOTQADSA-N,,,,,,,,,,,
100.067.561,274-341-0,70146-09-7,5-chloro-2-[(p-tolyl)sulphonyl]aniline,5-chloro-2-[(4-methylphenyl)sulfonyl]aniline,Cc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2N,Cc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2N,"InChI=1/C13H12ClNO2S/c1-9-2-5-11(6-3-9)18(16,17)13-7-4-10(14)8-12(13)15/h2-8H,15H2,1H3",C13H12ClNO2S,,,,,,YDSSEPWFAJNLSK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.564,274-344-7,70152-36-2,Bis(2-ethylheptyl) phthalate,bis(2-ethylheptyl) phthalate,CCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCC,CCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCC,"InChI=1/C26H42O4/c1-5-9-11-15-21(7-3)19-29-25(27)23-17-13-14-18-24(23)26(28)30-20-22(8-4)16-12-10-6-2/h13-14,17-18,21-22H,5-12,15-16,19-20H2,1-4H3",C26H42O4,,,,,,SGKJLUZIKNCQOM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.571,274-352-0,70161-16-9,"Tetrasodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate","tetrasodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2cc(ccc23)S([O-])(=O)=O)c4cccc(c45)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2cc(ccc23)S([O-])(=O)=O)c4cccc(c45)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-22-10-9-20(17-2-1-3-25(26(17)22)55(49,50)51)37-36-19-7-8-21(18-12-14(52(40,41)42)4-6-16(18)19)38-39-23-13-15(53(43,44)45)5-11-24(23)54(46,47)48;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4",C29H20ClN9O12S4.4Na,,,,,,SKGZHFQLKYFSHX-UHFFFAOYSA-J,,,,,,,,,,,
100.073.423,280-788-2,83783-54-4,"Sodium 1-hydroxyethanesulphonate, compound with 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulphonamide (2:1)","sodium 1-hydroxyethanesulphonate, compound with 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulphonamide (2:1)",[Na+].[Na+].COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1.CC(O)S(=O)(=O)[O-].CC(O)S(=O)(=O)[O-],[Na+].[Na+].COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1.CC(O)S(=O)(=O)[O-].CC(O)S(=O)(=O)[O-],"InChI=1/C11H12N4O3S.2C2H6O4S.2Na/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9;2*1-2(3)7(4,5)6;;/h2-7H,12H2,1H3,(H,13,15);2*2-3H,1H3,(H,4,5,6);;/q;;;2*+1/p-2",C11H12N4O3S.2C2H6O4S.2Na,,,,,,XXVYEUZFORBIPQ-UHFFFAOYSA-L,,,,,,,,,,,
100.073.424,280-789-8,83783-55-5,"2-[3-(hexylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one","2-[3-(hexylsulfanyl)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethanone",CCCCCCSc1ncn(CC(=O)c2ccccc2O)n1,CCCCCCSc1ncn(CC(=O)c2ccccc2O)n1,"InChI=1/C16H21N3O2S/c1-2-3-4-7-10-22-16-17-12-19(18-16)11-15(21)13-8-5-6-9-14(13)20/h5-6,8-9,12,20H,2-4,7,10-11H2,1H3",C16H21N3O2S,,,,,,SUEDIJGRWGXHAD-UHFFFAOYSA-N,,,,,,,,,,,
100.073.432,280-798-7,83783-64-6,"4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monoacetate","4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carboximidamide acetate",O=C2C(=Cc1ccc(cc1)N(C)C)C(\\C)=N/N2C(=N)N.CC(O)=O,O=C2C(=Cc1ccc(cc1)N(C)C)C(\C)=N/N2C(=N)N.CC(O)=O,"InChI=1/C14H17N5O.C2H4O2/c1-9-12(13(20)19(17-9)14(15)16)8-10-4-6-11(7-5-10)18(2)3;1-2(3)4/h4-8H,1-3H3,(H3,15,16);1H3,(H,3,4)",C14H17N5O.C2H4O2,,,,,,XUISXJNJUZTIPU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.435,280-801-1,83783-67-9,(2-chloro-4-nitrophenyl)phenylacetonitrile,(2-chloro-4-nitrophenyl)(phenyl)acetonitrile,[O-][N+](=O)c1ccc(C(C#N)c2ccccc2)c(Cl)c1,[O-][N+](=O)c1ccc(C(C#N)c2ccccc2)c(Cl)c1,"InChI=1/C14H9ClN2O2/c15-14-8-11(17(18)19)6-7-12(14)13(9-16)10-4-2-1-3-5-10/h1-8,13H",C14H9ClN2O2,,,,,,UGUGQRBDGGRJER-UHFFFAOYSA-N,,,,,,,,,,,
100.073.437,280-803-2,83783-69-1,2-amino-1-[(4-fluorophenyl)methyl]-1H-benzimidazole,1-(4-fluorobenzyl)-1H-benzimidazol-2-amine,Nc1nc2ccccc2n1Cc3ccc(F)cc3,Nc1nc2ccccc2n1Cc3ccc(F)cc3,"InChI=1/C14H12FN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)",C14H12FN3,,,,,,XEARVXVLEKCISU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.444,280-811-6,83783-77-1,3-[bis(benzyl)amino]hexahydro-2H-azepin-2-one,3-(dibenzylamino)azepan-2-one,O=C1NCCCCC1N(Cc2ccccc2)Cc3ccccc3,O=C1NCCCCC1N(Cc2ccccc2)Cc3ccccc3,"InChI=1/C20H24N2O/c23-20-19(13-7-8-14-21-20)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H,21,23)",C20H24N2O,,,,,,BRAYCQJGMBISSA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.445,280-812-1,83783-78-2,Heptyl crotonate,heptyl but-2-enoate,CCCCCCCOC(=O)\\C=C\\C,CCCCCCCOC(=O)\C=C\C,"InChI=1/C11H20O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3",C12H22O2,,,,,,DOBPEHKISOHXTE-RUDMXATFSA-N,,,,,,,,,,,
100.072.195,279-439-7,80280-36-0,"7-hexadecyl-3,5-dihydroxy-4-methyl-3-phenyl-6-propyl-3H-benzofuran-2-one","7-hexadecyl-3,5-dihydroxy-4-methyl-3-phenyl-6-propyl-1-benzofuran-2(3H)-one",CCCCCCCCCCCCCCCCc1c(CCC)c(O)c(C)c2c1OC(=O)C2(O)c3ccccc3,CCCCCCCCCCCCCCCCc1c(CCC)c(O)c(C)c2c1OC(=O)C2(O)c3ccccc3,"InChI=1/C34H50O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25-29-28(22-5-2)31(35)26(3)30-32(29)38-33(36)34(30,37)27-23-19-18-20-24-27/h18-20,23-24,35,37H,4-17,21-22,25H2,1-3H3",C34H50O4,,,,,,QILVODCXXMOEFU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.198,279-442-3,80286-14-2,Disodium (2-phenylvinyl)phosphonate,disodium (2-phenylvinyl)phosphonate,[Na+].[Na+].[O-]P(=O)([O-])\\C=C\\c1ccccc1,[Na+].[Na+].[O-]P(=O)([O-])\C=C\c1ccccc1,"InChI=1/C8H9O3P.2Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;;/h1-7H,(H2,9,10,11);;/q;2*+1/p-2",C8H9O3P.2Na,,,,,,CUKALIMJZKETCH-KMXZHCNGSA-L,,,,,,,,,,,
100.072.209,279-454-9,80396-84-5,"3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl]sulphonyl]phenyl]-4-methoxybenzenesulphonamide","N-{4-[(1-{2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl}ethyl)sulfonyl]phenyl}-4-methoxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide",CCCCCCCCCCCCCCCCOc1ccc(cc1)C=2C(=O)C(\\C)=C/C(=O)C=2C(C)S(=O)(=O)c3ccc(cc3)NS(=O)(=O)c6cc(N=NC5C(\\C)=N/N(c4ccccc4)C5=O)c(OC)cc6,CCCCCCCCCCCCCCCCOc1ccc(cc1)C=2C(=O)C(\C)=C/C(=O)C=2C(C)S(=O)(=O)c3ccc(cc3)NS(=O)(=O)c6cc(N=NC5C(\C)=N/N(c4ccccc4)C5=O)c(OC)cc6,"InChI=1/C54H65N5O9S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-68-44-29-25-41(26-30-44)51-50(48(60)36-38(2)53(51)61)40(4)69(63,64)45-31-27-42(28-32-45)58-70(65,66)46-33-34-49(67-5)47(37-46)55-56-52-39(3)57-59(54(52)62)43-23-20-19-21-24-43/h19-21,23-34,36-37,40,52,58H,6-18,22,35H2,1-5H3",C54H65N5O9S2,,,,,,ODKNTYSGNFUPOI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.225,279-472-7,80442-95-1,Ethyl 5-thioxo-L-prolinate,ethyl 5-thioxo-L-prolinate,CCOC(=O)[C@@H]1CCC(=S)N1,CCOC(=O)[C@@H]1CCC(=S)N1,"InChI=1/C7H11NO2S/c1-2-10-7(9)5-3-4-6(11)8-5/h5H,2-4H2,1H3,(H,8,11)",C7H11NO2S,,,,,,MKXRCPKGURCHRF-YFKPBYRVSA-N,,,,,,,,,,,
100.066.347,273-004-5,68928-36-9,"Bis(2,3-dihydroxypropyl) 3,3'-thiobispropionate","bis(2,3-dihydroxypropyl) 3,3'-sulfanediyldipropanoate",OCC(O)COC(=O)CCSCCC(=O)OCC(O)CO,OCC(O)COC(=O)CCSCCC(=O)OCC(O)CO,"InChI=1/C12H22O8S/c13-5-9(15)7-19-11(17)1-3-21-4-2-12(18)20-8-10(16)6-14/h9-10,13-16H,1-8H2",C12H22O8S,,,,,,OOTUIMGUOKCPKY-UHFFFAOYSA-N,,,,,,,,,,,
100.066.362,273-020-2,68928-51-8,"1,3,5-trithiane-2,4,6-tricarboxylic acid","1,3,5-trithiane-2,4,6-tricarboxylic acid",OC(=O)C1SC(SC(S1)C(=O)O)C(=O)O,OC(=O)C1SC(SC(S1)C(=O)O)C(=O)O,"InChI=1/C6H6O6S3/c7-1(8)4-13-5(2(9)10)15-6(14-4)3(11)12/h4-6H,(H,7,8)(H,9,10)(H,11,12)",C6H6O6S3,,,,,,VZFJMKRFMNCZSK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.364,273-022-3,68928-54-1,"Barium 4-[(2,4-dimethylphenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate","barium 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate",[Ba+2].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2ccc(C)cc2C)c3O)S([O-])(=O)=O,[Ba+2].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2ccc(C)cc2C)c3O)S([O-])(=O)=O,"InChI=1/C18H16N2O7S2.Ba/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2",C18H16N2O7S2.Ba,,,,,,OFYJJIAMEPRGRY-UHFFFAOYSA-L,,,,,,,,,,,
100.067.454,274-223-9,69929-17-5,"1-(2,4-dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one","1-(2,4-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-one",CC1C=C(C)CCC1C(=O)C(C)(C)C,CC1C=C(C)CCC1C(=O)C(C)(C)C,"InChI=1/C13H22O/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h8,10-11H,6-7H2,1-5H3",C13H22O,,,,,,ALXMEIMLYKTBHU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.464,274-234-9,69943-71-1,"Diethyl sulphate, compound with N,N-bis[3-(dimethylamino)propyl]octadecanamide","diethyl sulfate - N,N-bis[3-(dimethylamino)propyl]octadecanamide (1:1)",CCCCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)CCCN(C)C.CCOS(=O)(=O)OCC,CCCCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)CCCN(C)C.CCOS(=O)(=O)OCC,"InChI=1/C28H59N3O.C4H10O4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(32)31(26-21-24-29(2)3)27-22-25-30(4)5;1-3-7-9(5,6)8-4-2/h6-27H2,1-5H3;3-4H2,1-2H3",C28H59N3O.xC2H6O4S,,,,,,IAYOMLHYXQZYEK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.469,274-240-1,69978-45-6,"10-methyl-1,4,7-trioxa-10-azacyclododecane","10-methyl-1,4,7-trioxa-10-azacyclododecane",CN1CCOCCOCCOCC1,CN1CCOCCOCCOCC1,"InChI=1/C9H19NO3/c1-10-2-4-11-6-8-13-9-7-12-5-3-10/h2-9H2,1H3",C9H19NO3,,,,,,CRKQPRYMKJWTCX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.470,274-241-7,69978-46-7,"13-methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane","13-methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane",CN1CCOCCOCCOCCOCC1,CN1CCOCCOCCOCCOCC1,"InChI=1/C11H23NO4/c1-12-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h2-11H2,1H3",C11H23NO4,,,,,,ZZTUQRGZHCSJDO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.472,274-243-8,69984-26-5,"3,4,5,6-tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrobromide","5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrobromide",Br.CN1CCOC(c2ccccc2)c3ccccc3C1,Br.CN1CCOC(c2ccccc2)c3ccccc3C1,"InChI=1/C17H19NO.BrH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H",C17H19NO.BrH,,,,,,KIZRSQLEKKJDEM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.479,274-251-1,70007-84-0,Methyl 4-methyl-2-oxo-2H-pyran-6-acetate,methyl (4-methyl-2-oxo-2H-pyran-6-yl)acetate,COC(=O)CC1=CC(=CC(=O)O1)C,COC(=O)CC1=CC(=CC(=O)O1)C,"InChI=1/C9H10O4/c1-6-3-7(5-8(10)12-2)13-9(11)4-6/h3-4H,5H2,1-2H3",C9H10O4,,,,,,SPTMYNISHYLZOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.480,274-252-7,70008-50-3,N-(diphosphonomethyl)-L-aspartic acid,N-(diphosphonomethyl)-L-aspartic acid,OC(=O)C[C@H](NC(P(=O)(O)O)P(=O)(O)O)C(=O)O,OC(=O)C[C@H](NC(P(=O)(O)O)P(=O)(O)O)C(=O)O,"InChI=1/C5H11NO10P2/c7-3(8)1-2(4(9)10)6-5(17(11,12)13)18(14,15)16/h2,5-6H,1H2,(H,7,8)(H,9,10)(H2,11,12,13)(H2,14,15,16)",C5H11NO10P2,,,,,,SHEYGLXRBDREIE-REOHCLBHSA-N,,,,,,,,,,,
100.069.224,276-169-1,71889-57-1,"Icosanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","icosanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,"InChI=1/C20H40O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;8-4-1-7(2-5-9)3-6-10/h2-19H2,1H3,(H,21,22);8-10H,1-6H2",C20H40O2.C6H15NO3,,,,,,BIJVMBCLZYUTLV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.227,276-172-8,71902-20-0,Dipentylammonium dipentyldithiocarbamate,N-pentylpentan-1-aminium dipentyldithiocarbamate,CCCCC[NH2+]CCCCC.CCCCCN(CCCCC)C(=S)[S-],CCCCC[NH2+]CCCCC.CCCCCN(CCCCC)C(=S)[S-],"InChI=1/C11H23NS2.C10H23N/c1-3-5-7-9-12(11(13)14)10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3,(H,13,14);11H,3-10H2,1-2H3",C11H23NS2.C10H23N,,,,,,UUCRJFKIBDDFJW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.228,276-173-3,71902-23-3,6-[(1-oxomethyloctyl)amino]hexanoic acid,6-[(1-formyloctyl)amino]hexanoic acid,CCCCCCCC(NCCCCCC(=O)O)C=O,CCCCCCCC(NCCCCCC(=O)O)C=O,"InChI=1/C15H29NO3/c1-2-3-4-5-7-10-14(13-17)16-12-9-6-8-11-15(18)19/h13-14,16H,2-12H2,1H3,(H,18,19)",C15H29NO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11335,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.228,KBOKXVYGUHEXOX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.238,273-982-3,69381-94-8,Fenprostalene,"methyl 7-[3,5-dihydroxy-2-(3-hydroxy-4-phenoxybut-1-en-1-yl)cyclopentyl]hepta-4,5-dienoate",O[C@@H]2C[C@H](O)[C@H](C\\C=C=C\\CCC(=O)OC)[C@H]2C=C[C@@H](O)COc1ccccc1,O[C@@H]2C[C@H](O)[C@H](C\C=C=C\CCC(=O)OC)[C@H]2C=C[C@@H](O)COc1ccccc1,"InChI=1/C23H30O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-22,24-26H,8,11-12,15-16H2,1H3",C23H30O6,,,,,,BYNHBQROLKAEDQ-RIBIVJLWSA-N,,,,,,,,,,,
100.067.244,273-989-1,69411-05-8,3-chloro-5-(trifluoromethyl)aniline,3-chloro-5-(trifluoromethyl)aniline,Nc1cc(Cl)cc(c1)C(F)(F)F,Nc1cc(Cl)cc(c1)C(F)(F)F,"InChI=1/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2",C7H5ClF3N,,,,,,OVENUGPMQDFGLE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.246,273-991-2,69414-26-2,"2H-1-Benzopyran-2-one, 7-(a-l-arabinopyranosyloxy)-4-methyl-",4-methyl-2-oxo-2H-chromen-7-yl alpha-L-arabinopyranoside,CC1=CC(=O)Oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)ccc12,CC1=CC(=O)Oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)ccc12,"InChI=1/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3",C15H16O7,,,,,,JWIYLOHVJDJZOQ-HPEDKQMDSA-N,,,,,,,,,,,
100.069.003,275-926-3,71735-15-4,Propyl aminobenzoate,propyl 2-aminobenzoate,CCCOC(=O)c1ccccc1N,CCCOC(=O)c1ccccc1N,"InChI=1/C10H13NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7,11H2,1H3",C10H13NO2,,,,,,QYGHESHPPSSONP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.008,275-932-6,71735-20-1,Methyl 3-(dibutylamino)-2-methylpropionate,methyl 3-(dibutylamino)-2-methylpropanoate,CCCCN(CCCC)CC(C)C(=O)OC,CCCCN(CCCC)CC(C)C(=O)OC,"InChI=1/C13H27NO2/c1-5-7-9-14(10-8-6-2)11-12(3)13(15)16-4/h12H,5-11H2,1-4H3",C13H27NO2,,,,,,JWMZBTCOXOGERJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.009,275-933-1,71735-21-2,"[(2,4-dichloro-5-methylphenyl)thio]acetic acid","[(2,4-dichloro-5-methylphenyl)sulfanyl]acetic acid",Cc1cc(SCC(=O)O)c(Cl)cc1Cl,Cc1cc(SCC(=O)O)c(Cl)cc1Cl,"InChI=1/C9H8Cl2O2S/c1-5-2-8(14-4-9(12)13)7(11)3-6(5)10/h2-3H,4H2,1H3,(H,12,13)",C9H8Cl2O2S,,,,,,VPCNIUHVMZIJDP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.011,275-935-2,71735-23-4,Methyl 2-cyano-2-ethyl-3-methylvalerate,methyl 2-cyano-2-ethyl-3-methylpentanoate,CCC(C)C(CC)(C#N)C(=O)OC,CCC(C)C(CC)(C#N)C(=O)OC,"InChI=1/C10H17NO2/c1-5-8(3)10(6-2,7-11)9(12)13-4/h8H,5-6H2,1-4H3",C10H17NO2,,,,,,ACADKHGAMCGGHY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.018,275-943-6,71735-31-4,Barium pentafluorobenzenesulphonate,barium bis(pentafluorobenzenesulfonate),[Ba+2].[O-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.[O-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F,[Ba+2].[O-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.[O-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F,"InChI=1/2C6HF5O3S.Ba/c2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h2*(H,12,13,14);/q;;+2/p-2",C6HF5O3S.1/2Ba,,,,,,BLLYNRVBNWQNNM-UHFFFAOYSA-L,,,,,,,,,,,
100.069.019,275-944-1,71735-32-5,"1-(2,2,3,3,3-pentafluoro-1-oxopropyl)-1H-imidazole","1-(2,2,3,3,3-pentafluoropropanoyl)-1H-imidazole",FC(F)(F)C(F)(F)C(=O)n1ccnc1,FC(F)(F)C(F)(F)C(=O)n1ccnc1,"InChI=1/C6H3F5N2O/c7-5(8,6(9,10)11)4(14)13-2-1-12-3-13/h1-3H",C6H3F5N2O,,,,,,VZUSRIIEPFQBNE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.661,270-048-7,68400-58-8,Benzyldimethyl[3-[(1-oxooleyl)amino]propyl]ammonium chloride,"N-benzyl-N,N-dimethyl-3-(oleoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C30H52N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(33)31-26-22-27-32(2,3)28-29-23-19-18-20-24-29;/h11-12,18-20,23-24H,4-10,13-17,21-22,25-28H2,1-3H3;1H",C30H53N2O.Cl,,,,,,WFGZPNYNBFKOOW-AFEZEDKISA-N,,,,,,,,,,,
100.063.665,270-052-9,68406-47-3,"5-chloro-N-phenylbenzene-1,2-diamine","4-chloro-N~2~-phenylbenzene-1,2-diamine",Nc1ccc(Cl)cc1Nc2ccccc2,Nc1ccc(Cl)cc1Nc2ccccc2,"InChI=1/C12H11ClN2/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,14H2",C12H11ClN2,,,,,,YRPYUECFYIYBGG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.666,270-053-4,68406-52-0,"Dodecyl (Z,Z,Z)-6-[[4-(dodecyloxy)-1,4-dioxobut-2-enyl]oxy]-6-octyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate","dodecyl 6-{[4-(dodecyloxy)-4-oxobut-2-enoyl]oxy}-6-octyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dien-1-oate",O=C(O[Sn](OC(=O)\\C=C/C(=O)OCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCC)CCCCCCCC)\\C=C/C(=O)OCCCCCCCCCCCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCC)CCCCCCCC)\C=C/C(=O)OCCCCCCCCCCCC,"InChI=1/3C16H28O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-3-5-7-8-6-4-2;/h3*12-13H,2-11,14H2,1H3,(H,17,18);1,3-8H2,2H3;/q;;;;+3/p-3/rC56H98O12Sn/c1-5-9-13-17-21-24-27-30-33-37-47-63-51(57)41-44-54(60)66-69(50-40-36-20-16-12-8-4,67-55(61)45-42-52(58)64-48-38-34-31-28-25-22-18-14-10-6-2)68-56(62)46-43-53(59)65-49-39-35-32-29-26-23-19-15-11-7-3/h41-46H,5-40,47-50H2,1-4H3",C56H98O12Sn,,,,,,GDVHSVSYIHQDJN-NUJFUEHTSA-K,,,,,,,,,,,
100.065.443,272-008-4,68648-87-3,"Benzene, C10-16-alkyl derivs.",tridecylbenzene,CCCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCCc1ccccc1,"InChI=1/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3",-,,,,,,MCVUKOYZUCWLQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.462,272-029-9,68649-43-4,"Phosphorodithioic acid, O,O-dioctyl ester, branched","O,O-bis(3,5-dimethylhexyl) hydrogen dithiophosphate",CC(C)CC(C)CCOP(=S)(S)OCCC(C)CC(C)C,CC(C)CC(C)CCOP(=S)(S)OCCC(C)CC(C)C,"InChI=1/C16H35O2PS2/c1-13(2)11-15(5)7-9-17-19(20,21)18-10-8-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3,(H,20,21)",-,,,,,,IYMCDJQWQXVRJH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.572,274-353-6,70161-17-0,"Tetrasodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate","tetrasodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)c4cccc(c45)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)c4cccc(c45)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-22-10-9-20(17-2-1-3-25(26(17)22)55(49,50)51)37-38-21-8-7-19(16-6-4-14(12-18(16)21)52(40,41)42)36-39-23-13-15(53(43,44)45)5-11-24(23)54(46,47)48;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4",C29H20ClN9O12S4.4Na,,,,,,HNZPAQUVYHXZEJ-UHFFFAOYSA-J,,,,,,,,,,,
100.067.726,274-522-4,70268-41-6,Manganese divalerate,manganese(2+) dipentanoate,[Mn+2].CCCCC(=O)[O-].CCCCC(=O)[O-],[Mn+2].CCCCC(=O)[O-].CCCCC(=O)[O-],"InChI=1/2C5H10O2.Mn/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2",C5H10O2.1/2Mn,,,,,,RIPRKTVEBCPYNQ-UHFFFAOYSA-L,,,,,,,,,,,
100.067.735,274-532-9,70285-36-8,"Di[1,3,5-triazine-2,4,6-triamine] oxalate","1,3,5-triazine-2,4,6-triamine ethanedioate (2:1)",Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OC(=O)C(=O)O,Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OC(=O)C(=O)O,"InChI=1/2C3H6N6.C2H2O4/c2*4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6/h2*(H6,4,5,6,7,8,9);(H,3,4)(H,5,6)",C3H6N6.1/2C2H2O4,,,,,,MCQLDSBXMCNAFY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.741,274-539-7,70288-99-2,4-dipropylaminobutyronitrile,4-(dipropylamino)butanenitrile,CCCN(CCC)CCCC#N,CCCN(CCC)CCCC#N,"InChI=1/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3",C10H20N2,,,,,,FLJPZKPNJVGMHO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.506,276-479-7,72213-82-2,"Disodium 1-amino-4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracenedisulphonate","disodium 1-amino-4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl}amino)-9,10-dioxo-1,2,9,10-tetrahydroanthracene-1,2-disulfonate",[Na+].[Na+].NC1(C(C=C(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)C4=C1C(=O)c5ccccc5C4=O)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].NC1(C(C=C(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)C4=C1C(=O)c5ccccc5C4=O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C23H16Cl2N6O8S2.2Na/c24-20-29-21(25)31-22(30-20)28-11-7-5-10(6-8-11)27-14-9-15(40(34,35)36)23(26,41(37,38)39)17-16(14)18(32)12-3-1-2-4-13(12)19(17)33;;/h1-9,15,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31);;/q;2*+1/p-2",C23H14Cl2N6O8S2.2Na,,,,,,IBCCVASLTUHECI-UHFFFAOYSA-L,,,,,,,,,,,
100.069.509,276-482-3,72214-19-8,"Disodium 2,5-dichloro-4-[4-[[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-6-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 2,5-dichloro-4-{4-[(5-{[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].Clc1nc(nc(OCCOCC)n1)Nc4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O,[Na+].[Na+].Clc1nc(nc(OCCOCC)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O,"InChI=1/C23H21Cl3N8O9S2.2Na/c1-3-42-6-7-43-23-29-21(26)28-22(30-23)27-12-4-5-17(44(36,37)38)15(8-12)31-32-19-11(2)33-34(20(19)35)16-9-14(25)18(10-13(16)24)45(39,40)41;;/h4-5,8-10,19H,3,6-7H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,27,28,29,30);;/q;2*+1/p-2",C23H21Cl3N8O9S2.2Na,,,,,,JIWBAHACOXXAQD-UHFFFAOYSA-L,,,,,,,,,,,
100.069.510,276-483-9,72214-20-1,N-[4-chloro-2-[(2-cyano-4-nitrophenyl)azo]-5-[(2-hydroxypropyl)amino]phenyl]acetamide,N-{4-chloro-2-[(2-cyano-4-nitrophenyl)diazenyl]-5-[(2-hydroxypropyl)amino]phenyl}acetamide,Clc2cc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)c(cc2NCC(C)O)NC(C)=O,Clc2cc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)c(cc2NCC(C)O)NC(C)=O,"InChI=1/C18H17ClN6O4/c1-10(26)9-21-16-7-17(22-11(2)27)18(6-14(16)19)24-23-15-4-3-13(25(28)29)5-12(15)8-20/h3-7,10,21,26H,9H2,1-2H3,(H,22,27)",C18H17ClN6O4,,,,,,USAYCNISMSXUKK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.663,271-150-4,68516-36-9,Bromo[8-[(tetrahydro-2H-pyran-2-yl)oxy]-1-octynyl]magnesium,bromo[8-(tetrahydro-2H-pyran-2-yloxy)oct-1-yn-1-yl]magnesium,Br[Mg]C#CCCCCCCOC1CCCCO1,Br[Mg]C#CCCCCCCOC1CCCCO1,"InChI=1/C13H21O2.BrH.Mg/c1-2-3-4-5-6-8-11-14-13-10-7-9-12-15-13;;/h13H,3-12H2;1H;/q;;+1/p-1/rC13H21BrMgO2/c14-15-10-6-3-1-2-4-7-11-16-13-9-5-8-12-17-13/h13H,1-5,7-9,11-12H2",C13H21BrMgO2,,,,,,BMEMJQZKWCMVMM-UHFFFAOYSA-M,,,,,,,,,,,
100.064.676,271-165-6,68516-59-6,Sodium m-[(4-amino-m-tolyl)azo]benzenesulphonate,sodium 3-[(4-amino-3-methylphenyl)diazenyl]benzenesulfonate,[Na+].Cc2cc(N=Nc1cccc(c1)S([O-])(=O)=O)ccc2N,[Na+].Cc2cc(N=Nc1cccc(c1)S([O-])(=O)=O)ccc2N,"InChI=1/C13H13N3O3S.Na/c1-9-7-11(5-6-13(9)14)16-15-10-3-2-4-12(8-10)20(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1",C13H13N3O3S.Na,,,,,,VLVWDCRLRGHEHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.065.788,272-388-1,68815-67-8,Thiobis[tetrapropylenephenol],"3,3'-sulfanediylbis[2-(2,4-dimethyl-3-propylheptyl)phenol]",CCCC(C)C(CCC)C(C)Cc1c(O)cccc1Sc2cccc(O)c2CC(C)C(CCC)C(C)CCC,CCCC(C)C(CCC)C(C)Cc1c(O)cccc1Sc2cccc(O)c2CC(C)C(CCC)C(C)CCC,"InChI=1/C36H58O2S/c1-9-15-25(5)29(17-11-3)27(7)23-31-33(37)19-13-21-35(31)39-36-22-14-20-34(38)32(36)24-28(8)30(18-12-4)26(6)16-10-2/h13-14,19-22,25-30,37-38H,9-12,15-18,23-24H2,1-8H3",C36H58O2S,,,,,,BPONHDMGHNNSMU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.228,279-475-3,80456-55-9,"a-tert-butyl-a-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-1-ethanol","1-(4-chlorophenoxy)-3,3-dimethyl-2-(1H-1,2,4-triazol-1-ylmethyl)butan-2-ol",CC(C)(C)C(O)(COc1ccc(Cl)cc1)Cn2cncn2,CC(C)(C)C(O)(COc1ccc(Cl)cc1)Cn2cncn2,"InChI=1/C15H20ClN3O2/c1-14(2,3)15(20,8-19-11-17-10-18-19)9-21-13-6-4-12(16)5-7-13/h4-7,10-11,20H,8-9H2,1-3H3",C15H20ClN3O2,,,,,,OCQPZTCGZAFWSG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.296,282-852-5,84434-52-6,4-methyl-2-oxo-2H-1-benzopyran-7-yl tetracosanoate,4-methyl-2-oxo-2H-chromen-7-yl tetracosanoate,CCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C34H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(35)37-30-25-26-31-29(2)27-34(36)38-32(31)28-30/h25-28H,3-24H2,1-2H3",C34H54O4,,,,,,BBJLPGKQHTUSCG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.298,282-854-6,84434-54-8,"Sodium 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[[3-[(phenylsulphonyl)amino]phenyl]azo]-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-[3-methyl-5-oxo-4-({3-[(phenylsulfonyl)amino]phenyl}diazenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].O=S(=O)(Nc1cccc(c1)N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c4ccccc4,[Na+].O=S(=O)(Nc1cccc(c1)N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c4ccccc4,"InChI=1/C22H17Cl2N5O6S2.Na/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-14-6-5-7-15(10-14)28-36(31,32)16-8-3-2-4-9-16;/h2-12,21,28H,1H3,(H,33,34,35);/q;+1/p-1",C22H17Cl2N5O6S2.Na,,,,,,XBDKVDCEXJLDDK-UHFFFAOYSA-M,,,,,,,,,,,
100.075.307,282-864-0,84434-63-9,3-(hydroxymethyl)-6-methylhept-5-en-2-one,3-(hydroxymethyl)-6-methylhept-5-en-2-one,CC(=CCC(CO)C(=O)C)C,CC(=CCC(CO)C(=O)C)C,"InChI=1/C9H16O2/c1-7(2)4-5-9(6-10)8(3)11/h4,9-10H,5-6H2,1-3H3",C9H16O2,,,,,,PPCMMWNYVCONPO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.321,282-879-2,84434-86-6,Dilithium dodecanedioate,dilithium dodecanedioate,[Li+].[Li+].[O-]C(=O)CCCCCCCCCCC(=O)[O-],[Li+].[Li+].[O-]C(=O)CCCCCCCCCCC(=O)[O-],"InChI=1/C12H22O4.2Li/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;/h1-10H2,(H,13,14)(H,15,16);;/q;2*+1/p-2",C12H22O4.2Li,,,,,,WZSAITQULFOWSY-UHFFFAOYSA-L,,,,,,,,,,,
100.077.303,285-063-4,85006-34-4,"3,5,5-trimethylhexyl dihydrogen phosphate","3,5,5-trimethylhexyl dihydrogen phosphate",CC(CCOP(=O)(O)O)CC(C)(C)C,CC(CCOP(=O)(O)O)CC(C)(C)C,"InChI=1/C9H21O4P/c1-8(7-9(2,3)4)5-6-13-14(10,11)12/h8H,5-7H2,1-4H3,(H2,10,11,12)",C9H21O4P,,,,,,CPVSQXHMFHZDCI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.456,280-824-7,83783-89-5,3-methylpentyl 2-methylbutyrate,3-methylpentyl 2-methylbutanoate,CCC(C)CCOC(=O)C(C)CC,CCC(C)CCOC(=O)C(C)CC,"InChI=1/C11H22O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h9-10H,5-8H2,1-4H3",C11H22O2,,,,,,OGFNJVCHDZQOND-UHFFFAOYSA-N,,,,,,,,,,,
100.073.457,280-825-2,83783-90-8,2-methylallyl 2-methylbutyrate,2-methylprop-2-en-1-yl 2-methylbutanoate,CCC(C)C(=O)OCC(=C)C,CCC(C)C(=O)OCC(=C)C,"InChI=1/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h8H,2,5-6H2,1,3-4H3",C9H16O2,,,,,,FSSVRXASHHVANB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.471,280-840-4,83784-10-5,"Ammonium 3-[(1-butyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolyl)azo]-5-chloro-2-hydroxybenzenesulphonate","ammonium 3-[(1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonate",[NH4+].[O-]S(=O)(=O)c3cc(Cl)cc(N=N\\C2=C(/O)c1ccccc1N(CCCC)C2=O)c3O,[NH4+].[O-]S(=O)(=O)c3cc(Cl)cc(N=N\C2=C(/O)c1ccccc1N(CCCC)C2=O)c3O,"InChI=1/C19H18ClN3O6S.H3N/c1-2-3-8-23-14-7-5-4-6-12(14)17(24)16(19(23)26)22-21-13-9-11(20)10-15(18(13)25)30(27,28)29;/h4-7,9-10,24-25H,2-3,8H2,1H3,(H,27,28,29);1H3",C19H18ClN3O6S.H3N,,,,,,LZTIZJYBABGZAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.474,280-844-6,83784-13-8,"4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",[O-][N+](=O)c3cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)c(O)c(Cl)c3,[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)c(O)c(Cl)c3,"InChI=1/C16H12ClN5O7S/c1-8-14(19-18-13-7-10(22(25)26)6-12(17)15(13)23)16(24)21(20-8)9-2-4-11(5-3-9)30(27,28)29/h2-7,14,23H,1H3,(H,27,28,29)",C16H12ClN5O7S,,,,,,XFQOAYVRNONXOR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.477,280-847-2,83784-16-1,"5,5'-(3H-2,1-benzoxathiol-3-ylidene)bis[3-methylsalicylic] acid S,S-dioxide, sodium salt","sodium 5-[3-(3-carboxy-4-hydroxy-5-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzoate",[Na+].Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(c4)C(=O)[O-],[Na+].Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(c4)C(=O)[O-],"InChI=1/C23H18O9S.Na/c1-11-7-13(9-15(19(11)24)21(26)27)23(14-8-12(2)20(25)16(10-14)22(28)29)17-5-3-4-6-18(17)33(30,31)32-23;/h3-10,24-25H,1-2H3,(H,26,27)(H,28,29);/q;+1/p-1",C23H18O9S.xNa,,,,,,HJEGHSWGWSAZBS-UHFFFAOYSA-M,,,,,,,,,,,
100.073.481,280-851-4,83790-87-8,(2-butylbenzofuran-3-yl) (4-methoxyphenyl) ketone,(2-butyl-1-benzofuran-3-yl)(4-methoxyphenyl)methanone,CCCCc1oc2ccccc2c1C(=O)c3ccc(OC)cc3,CCCCc1oc2ccccc2c1C(=O)c3ccc(OC)cc3,"InChI=1/C20H20O3/c1-3-4-8-18-19(16-7-5-6-9-17(16)23-18)20(21)14-10-12-15(22-2)13-11-14/h5-7,9-13H,3-4,8H2,1-2H3",C20H20O3,,,,,,ZECBGDFBAKHQFF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.482,280-853-5,83796-63-8,N-[(p-aminophenyl)sulphonyl]-N-(4-methyl-2-pyrimidinyl)acetamide,N-[(4-aminophenyl)sulfonyl]-N-(4-methylpyrimidin-2-yl)acetamide,CC(=O)N(c1nccc(C)n1)S(=O)(=O)c2ccc(N)cc2,CC(=O)N(c1nccc(C)n1)S(=O)(=O)c2ccc(N)cc2,"InChI=1/C13H14N4O3S/c1-9-7-8-15-13(16-9)17(10(2)18)21(19,20)12-5-3-11(14)4-6-12/h3-8H,14H2,1-2H3",C13H14N4O3S,,,,,,PNCRSWYMHUDTAY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.236,276-182-2,71922-95-7,"4-(4-fluorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-one dihydrochloride","4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one dihydrochloride",Cl.Cl.Fc1ccc(cc1)C2=C(CCN3CCN(CC3)c4ccccc4)OC(=O)O2,Cl.Cl.Fc1ccc(cc1)C2=C(CCN3CCN(CC3)c4ccccc4)OC(=O)O2,"InChI=1/C21H21FN2O3.2ClH/c22-17-8-6-16(7-9-17)20-19(26-21(25)27-20)10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18;;/h1-9H,10-15H2;2*1H",C21H21FN2O3.2ClH,,,,,,OTOHQQXGSVLDIS-UHFFFAOYSA-N,,,,,,,,,,,
100.069.247,276-194-8,71929-22-1,Tetrapropylammonium formate,"N,N,N-tripropylpropan-1-aminium formate",CCC[N+](CCC)(CCC)CCC.[O-]C=O,CCC[N+](CCC)(CCC)CCC.[O-]C=O,"InChI=1/C12H28N.CH2O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1-3/h5-12H2,1-4H3;1H,(H,2,3)/q+1;/p-1",C12H28N.CHO2,,,,,,LENBOWGJEQXFCI-UHFFFAOYSA-M,,,,,,,,,,,
100.066.367,273-026-5,68928-62-1,[2-hydroxypropyl]dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate,"2-hydroxy-N-[2-(methacryloyloxy)ethyl]-N,N-dimethylpropan-1-aminium nitrate",CC(O)C[N+](C)(C)CCOC(=O)C(=C)C.[O-][N+](=O)[O-],CC(O)C[N+](C)(C)CCOC(=O)C(=C)C.[O-][N+](=O)[O-],"InChI=1/C11H22NO3.NO3/c1-9(2)11(14)15-7-6-12(4,5)8-10(3)13;2-1(3)4/h10,13H,1,6-8H2,2-5H3;/q+1;-1",C11H22NO3.NO3,,,,,,PWLYTOCBDCTZCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.879,274-690-9,70597-89-6,(4-chlorophenyl)hydrazinium hydrogen sulphate,(4-chlorophenyl)diazanium hydrogen sulfate,N[NH2+]c1ccc(Cl)cc1.[O-]S(=O)(=O)[O-],N[NH2+]c1ccc(Cl)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C6H7ClN2.H2O4S/c7-5-1-3-6(9-8)4-2-5;1-5(2,3)4/h1-4,9H,8H2;(H2,1,2,3,4)/p-1",C6H7ClN2.xH2O4S,,,,,,VAGJQUQWYHFUOX-UHFFFAOYSA-M,,,,,,,,,,,
100.067.884,274-696-1,70609-70-0,"N-[5-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-chlorophenyl]-1-hydroxynaphthalene-2-carboxamide","N-[5-({[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl}amino)-2-chlorophenyl]-1-hydroxy-2-naphthamide",CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3ccc4ccccc4c3O)c2)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3ccc4ccccc4c3O)c2)c(c1)C(C)(C)CC,"InChI=1/C35H39ClN2O4/c1-7-34(3,4)23-14-18-30(27(19-23)35(5,6)8-2)42-21-31(39)37-24-15-17-28(36)29(20-24)38-33(41)26-16-13-22-11-9-10-12-25(22)32(26)40/h9-20,40H,7-8,21H2,1-6H3,(H,37,39)(H,38,41)",C35H39ClN2O4,,,,,,CHXPSEQZCSTBHH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.885,274-697-7,70609-95-9,N-[2-[(2-chloro-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide,N-{2-[(2-chloro-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,"InChI=1/C18H20ClN5O3/c1-4-23(5-2)13-6-9-17(18(11-13)20-12(3)25)22-21-16-8-7-14(24(26)27)10-15(16)19/h6-11H,4-5H2,1-3H3,(H,20,25)",C18H20ClN5O3,,,,,,ALRWCCVYBUUROI-UHFFFAOYSA-N,,,,,,,,,,,
100.067.887,274-699-8,70616-71-6,"1-(4-amino-2-sulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid","1-(4-amino-2-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",Nc1ccc(N2N=C(CC2=O)C(=O)O)c(c1)S(=O)(=O)O,Nc1ccc(N2N=C(CC2=O)C(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C10H9N3O6S/c11-5-1-2-7(8(3-5)20(17,18)19)13-9(14)4-6(12-13)10(15)16/h1-3H,4,11H2,(H,15,16)(H,17,18,19)",C10H9N3O6S,,,,,,WXQMQGBHEYGHMN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.499,274-273-1,70024-92-9,"Alkanes, C7-8-iso-",3-methylhexane,CCCC(C)CC,CCCC(C)CC,"InChI=1/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3",-,,,,,,VLJXXKKOSFGPHI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.625,275-511-7,71477-21-9,"6,7-diamino-1,4-dihydroquinoxaline-2,3-dione hydrochloride","6,7-diamino-1,4-dihydroquinoxaline-2,3-dione hydrochloride",Cl.Nc1cc2NC(=O)C(=O)Nc2cc1N,Cl.Nc1cc2NC(=O)C(=O)Nc2cc1N,"InChI=1/C8H8N4O2.ClH/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5;/h1-2H,9-10H2,(H,11,13)(H,12,14);1H",C8H8N4O2.xClH,,,,,,LIPIIKOCKAUSQD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.629,275-515-9,71486-43-6,1-(4-fluorophenyl)cyclohexanecarbonitrile,1-(4-fluorophenyl)cyclohexanecarbonitrile,Fc1ccc(cc1)C2(CCCCC2)C#N,Fc1ccc(cc1)C2(CCCCC2)C#N,"InChI=1/C13H14FN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-9H2",C13H14FN,,,,,,CXHLRVDEACWSNN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.632,275-519-0,71486-46-9,"Oleic acid, compound with N-methylcyclohexylamine (1:1)",octadec-9-enoic acid - N-methylcyclohexanamine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CNC1CCCCC1,CCCCCCCC\C=C/CCCCCCCC(=O)O.CNC1CCCCC1,"InChI=1/C18H34O2.C7H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8-7-5-3-2-4-6-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);7-8H,2-6H2,1H3",C18H34O2.C7H15N,,,,,,MMSDHTYXEZJGBB-KVVVOXFISA-N,,,,,,,,,,,
100.068.639,275-526-9,71486-53-8,Methyl 4-oxopiperidine-3-carboxylate hydrochloride,methyl 4-oxopiperidine-3-carboxylate hydrochloride,Cl.COC(=O)C1CNCCC1=O,Cl.COC(=O)C1CNCCC1=O,"InChI=1/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H",C7H11NO3.ClH,,,,,,NMAACQILAGCQPR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.650,275-538-4,71500-42-0,"2,2'-[(3-aminophenyl)imino]bisethanol","2,2'-[(3-aminophenyl)imino]diethanol",Nc1cccc(c1)N(CCO)CCO,Nc1cccc(c1)N(CCO)CCO,"InChI=1/C10H16N2O2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7,11H2",C10H16N2O2,,,,,,MQMMMSDSVNOFJM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.652,275-541-0,71501-08-1,Dipentylphenylphosphine,dipentyl(phenyl)phosphine,CCCCCP(CCCCC)c1ccccc1,CCCCCP(CCCCC)c1ccccc1,"InChI=1/C16H27P/c1-3-5-10-14-17(15-11-6-4-2)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3",C16H27P,,,,,,QDZAKCWPRPKCBW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.410,275-273-4,71215-85-5,3-(1-butyl-2-methyl-1H-indol-3-yl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide,3-(1-butyl-2-methyl-1H-indol-3-yl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one,CCCCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)c5c(C)n(CC)c6ccccc56,CCCCn1c(C)c(c2ccccc12)C3(OC(=O)c4ccccc34)c5c(C)n(CC)c6ccccc56,"InChI=1/C32H32N2O2/c1-5-7-20-34-22(4)30(25-16-10-13-19-28(25)34)32(26-17-11-8-14-23(26)31(35)36-32)29-21(3)33(6-2)27-18-12-9-15-24(27)29/h8-19H,5-7,20H2,1-4H3",C32H32N2O2,,,,,,XIWUAIKWSZMVNR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.412,275-276-0,71216-01-8,"N,N''-naphthalene-1,5-diylbis[N'-[3-[(2-ethylhexyl)oxy]propyl]urea]","N',N'''-naphthalene-1,5-diylbis(1-{3-[(2-ethylhexyl)oxy]propyl}urea)",CCCCC(CC)COCCCNC(=O)Nc1cccc2c(NC(=O)NCCCOCC(CC)CCCC)cccc12,CCCCC(CC)COCCCNC(=O)Nc1cccc2c(NC(=O)NCCCOCC(CC)CCCC)cccc12,"InChI=1/C34H56N4O4/c1-5-9-15-27(7-3)25-41-23-13-21-35-33(39)37-31-19-11-18-30-29(31)17-12-20-32(30)38-34(40)36-22-14-24-42-26-28(8-4)16-10-6-2/h11-12,17-20,27-28H,5-10,13-16,21-26H2,1-4H3,(H2,35,37,39)(H2,36,38,40)",C34H56N4O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16330,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.412,NZJJSYLOGZGJHU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.416,275-280-2,71235-76-2,1-methoxymethyl-4-methylnaphthalene,1-(methoxymethyl)-4-methylnaphthalene,COCc1ccc(C)c2ccccc12,COCc1ccc(C)c2ccccc12,"InChI=1/C13H14O/c1-10-7-8-11(9-14-2)13-6-4-3-5-12(10)13/h3-8H,9H2,1-2H3",C13H14O,,,,,,CDZSYRIMGYFGKR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.433,275-299-6,71247-42-2,"L-valine, calcium salt (2:1)",-,[Ca+2].CC(C)[C@H](N)C(=O)[O-],[Ca+2].CC(C)[C@H](N)C(=O)[O-],"InChI=1/C5H11NO2.Ca/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H,7,8);/q;+2/p-1",C5H11NO2.1/2Ca,,,,,,ZVLQFVFNQWKPKC-WCCKRBBISA-M,,,,,,,,,,,
100.068.437,275-304-1,71257-86-8,"Trisodium 4-[[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]toluene-2,5-disulphonate","trisodium 2-{[6-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-5-methylbenzene-1,4-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1cc(c(C)cc1S([O-])(=O)=O)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1cc(c(C)cc1S([O-])(=O)=O)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5,"InChI=1/C27H22ClN7O10S3.3Na/c1-14-10-21(47(40,41)42)19(13-20(14)46(37,38)39)33-34-23-22(48(43,44)45)12-15-11-16(8-9-18(15)24(23)36)29-26-30-25(28)31-27(32-26)35(2)17-6-4-3-5-7-17;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",C27H22ClN7O10S3.3Na,,,,,,ZPWPJMWIZFCCCJ-UHFFFAOYSA-K,,,,,,,,,,,
100.068.447,275-315-1,71317-39-0,"Hexyl hydrogen sulphate, calcium salt",-,[Ca+2].CCCCCCOS(=O)(=O)O,[Ca+2].CCCCCCOS(=O)(=O)O,"InChI=1/C6H14O4S.Ca/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+2",C6H14O4S.1/2Ca,,,,,,CWXDCENIYQDDGW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.042,275-969-8,71750-37-3,"Lithium 2,3,6-trichlorobenzoate","lithium 2,3,6-trichlorobenzoate",[Li+].[O-]C(=O)c1c(Cl)ccc(Cl)c1Cl,[Li+].[O-]C(=O)c1c(Cl)ccc(Cl)c1Cl,"InChI=1/C7H3Cl3O2.Li/c8-3-1-2-4(9)6(10)5(3)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1",C7H3Cl3O2.Li,,,,,,JLUHDLXQXJRHKA-UHFFFAOYSA-M,,,,,,,,,,,
100.069.044,275-971-9,71750-40-8,"1,2,3,4-tetrahydronitronaphthalene","1-nitro-1,2,3,4-tetrahydronaphthalene",[O-][N+](=O)C1CCCc2ccccc12,[O-][N+](=O)C1CCCc2ccccc12,"InChI=1/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2",C10H11NO2,,,,,,USQUNNYHRYDWDE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.057,275-986-0,71750-84-0,"2-[4,5-dihydro-3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]benzoyl]amino]-2-sulphophenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonic acid","2-{3-methyl-4-[(4-{[4-({2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}diazenyl)benzoyl]amino}-2-sulfophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1,4-disulfonic acid",Clc6c(Cl)nc(Cl)nc6Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc4ccc(N=NC3C(\\C)=N/N(c2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)C3=O)c(c4)S(O)(=O)=O)c(C)c5,Clc6c(Cl)nc(Cl)nc6Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc4ccc(N=NC3C(\C)=N/N(c2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)C3=O)c(c4)S(O)(=O)=O)c(C)c5,"InChI=1/C34H25Cl3N10O11S3/c1-16-13-20(38-31-28(35)30(36)40-34(37)41-31)7-10-23(16)43-42-19-5-3-18(4-6-19)32(48)39-21-8-11-24(27(14-21)61(56,57)58)44-45-29-17(2)46-47(33(29)49)25-15-22(59(50,51)52)9-12-26(25)60(53,54)55/h3-15,29H,1-2H3,(H,39,48)(H,38,40,41)(H,50,51,52)(H,53,54,55)(H,56,57,58)",C34H25Cl3N10O11S3,,,,,,XDPRLVPAYAGRLO-UHFFFAOYSA-N,,,,,,,,,,,
100.065.485,272-055-0,68672-65-1,"Ethyl (Z)-a-[[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-(tritylamino)thiazol-4-acetate","tert-butyl 2-[({2-ethoxy-2-oxo-1-[2-(tritylamino)-1,3-thiazol-4-yl]ethylidene}amino)oxy]-2-methylpropanoate",CCOC(=O)\\C(=N/OC(C)(C)C(=O)OC(C)(C)C)\\c1csc(NC(c2ccccc2)(c3ccccc3)c4ccccc4)n1,CCOC(=O)\C(=N/OC(C)(C)C(=O)OC(C)(C)C)\c1csc(NC(c2ccccc2)(c3ccccc3)c4ccccc4)n1,"InChI=1/C34H37N3O5S/c1-7-40-29(38)28(37-42-33(5,6)30(39)41-32(2,3)4)27-23-43-31(35-27)36-34(24-17-11-8-12-18-24,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-23H,7H2,1-6H3,(H,35,36)",C34H37N3O5S,,,,,,YHCVDVUWNPSSMP-FSUXQIQLSA-N,,,,,,,,,,,
100.065.499,272-070-2,68683-31-8,2-(2-hydroxypropyl)-1-methylethyl salicylate,4-hydroxy-1-methylpentyl salicylate,CC(O)CCC(C)OC(=O)c1ccccc1O,CC(O)CCC(C)OC(=O)c1ccccc1O,"InChI=1/C13H18O4/c1-9(14)7-8-10(2)17-13(16)11-5-3-4-6-12(11)15/h3-6,9-10,14-15H,7-8H2,1-2H3",C13H18O5,,,,,,SNVAUMORJDHTNM-UHFFFAOYSA-N,,,,,,,,,,,
100.065.791,272-391-8,68817-71-0,"N-(4-chlorophenyl)benzene-1,2-diamine","N-(4-chlorophenyl)benzene-1,2-diamine",Nc1ccccc1Nc2ccc(Cl)cc2,Nc1ccccc1Nc2ccc(Cl)cc2,"InChI=1/C12H11ClN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2",C12H11ClN2,,,,,,WEUBIWJPIRTWDF-UHFFFAOYSA-N,,,,,,,,,,,
100.065.798,272-399-1,68818-68-8,"2-(hydroxymethyl)-2-[(myristoyloxy)ethyl]propane-1,3-diyl dimyristate","3-hydroxy-1-methyl-2,2-bis[(tetradecanoyloxy)methyl]propyl myristate",CCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCC)C(C)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCC)C(C)OC(=O)CCCCCCCCCCCCC,"InChI=1/C48H92O7/c1-5-8-11-14-17-20-23-26-29-32-35-38-45(50)53-42-48(41-49,43-54-46(51)39-36-33-30-27-24-21-18-15-12-9-6-2)44(4)55-47(52)40-37-34-31-28-25-22-19-16-13-10-7-3/h44,49H,5-43H2,1-4H3",C47H90O7,,,,,,WFYWCNXSAYQTGS-UHFFFAOYSA-N,,,,,,,,,,,
100.065.801,272-402-6,68832-80-4,Barium thiobis[dodecylphenolate],"barium 3,3'-sulfanediylbis(2-dodecylphenolate)",[Ba+2].CCCCCCCCCCCCc1c([O-])cccc1Sc2cccc([O-])c2CCCCCCCCCCCC,[Ba+2].CCCCCCCCCCCCc1c([O-])cccc1Sc2cccc([O-])c2CCCCCCCCCCCC,"InChI=1/C36H58O2S.Ba/c1-3-5-7-9-11-13-15-17-19-21-25-31-33(37)27-23-29-35(31)39-36-30-24-28-34(38)32(36)26-22-20-18-16-14-12-10-8-6-4-2;/h23-24,27-30,37-38H,3-22,25-26H2,1-2H3;/q;+2/p-2",C36H58O2S.Ba,,,,,,VHASIBOSGBEJLI-UHFFFAOYSA-L,,,,,,,,,,,
100.065.803,272-404-7,68833-60-3,2-(chloromethyl)-4-dodecyltoluene,2-(chloromethyl)-4-dodecyl-1-methylbenzene,CCCCCCCCCCCCc1ccc(C)c(CCl)c1,CCCCCCCCCCCCc1ccc(C)c(CCl)c1,"InChI=1/C20H33Cl/c1-3-4-5-6-7-8-9-10-11-12-13-19-15-14-18(2)20(16-19)17-21/h14-16H,3-13,17H2,1-2H3",C20H33Cl,,,,,,PERGJZRGWNBFEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.811,272-413-6,68833-70-5,"Azelaic acid, compound with 2,2',2''-nitrilotriethanol","nonanedioic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)CCCCCCCC(=O)O,OCCN(CCO)CCO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C6H15NO3/c10-8(11)6-4-2-1-3-5-7-9(12)13;8-4-1-7(2-5-9)3-6-10/h1-7H2,(H,10,11)(H,12,13);8-10H,1-6H2",C9H16O4.xC6H15NO3,,,,,,FCKXCXDSXHADAX-UHFFFAOYSA-N,,,,,,,,,,,
100.065.817,272-419-9,68833-92-1,7-ethyl-2-methylundec-2-en-4-one,7-ethyl-2-methylundec-2-en-4-one,CCCCC(CC)CCC(=O)C=C(C)C,CCCCC(CC)CCC(=O)C=C(C)C,"InChI=1/C14H26O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h11,13H,5-10H2,1-4H3",C14H26O,,,,,,YJJRWDWACWCKIH-UHFFFAOYSA-N,,,,,,,,,,,
100.065.820,272-423-0,68833-96-5,"1H-indole-2,7-dicarboxylic acid","1H-indole-2,7-dicarboxylic acid",OC(=O)c1cc2cccc(C(=O)O)c2[nH]1,OC(=O)c1cc2cccc(C(=O)O)c2[nH]1,"InChI=1/C10H7NO4/c12-9(13)6-3-1-2-5-4-7(10(14)15)11-8(5)6/h1-4,11H,(H,12,13)(H,14,15)",C10H7NO4,,,,,,GPZDWQUDHYWQBS-UHFFFAOYSA-N,,,,,,,,,,,
100.065.822,272-425-1,68833-99-8,7-acetamido-4-hydroxy-3-[[6-sulpho-8-[[2-(sulphooxy)ethyl]sulphonyl]-2-naphthyl]azo]naphthalene-2-sulphonic acid,7-acetamido-4-hydroxy-3-[(6-sulfo-8-{[2-(sulfooxy)ethyl]sulfonyl}-2-naphthyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)OCCS(=O)(=O)c1cc(cc2ccc(cc12)N=Nc4c(cc3cc(ccc3c4O)NC(C)=O)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c1cc(cc2ccc(cc12)N=Nc4c(cc3cc(ccc3c4O)NC(C)=O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C24H21N3O14S4/c1-13(28)25-16-4-5-19-15(8-16)10-22(44(35,36)37)23(24(19)29)27-26-17-3-2-14-9-18(43(32,33)34)12-21(20(14)11-17)42(30,31)7-6-41-45(38,39)40/h2-5,8-12,29H,6-7H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40)",C24H21N3O14S4,,,,,,OMPCKRFCEXYWEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.823,272-426-7,68834-00-4,3-[[2-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]propiononitrile,3-({2-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile,Clc2cc(ccc2N=Nc1ccc(NCCC#N)c(Cl)c1)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(NCCC#N)c(Cl)c1)[N+]([O-])=O,"InChI=1/C15H11Cl2N5O2/c16-12-8-10(2-4-14(12)19-7-1-6-18)20-21-15-5-3-11(22(23)24)9-13(15)17/h2-5,8-9,19H,1,7H2",C15H11Cl2N5O2,,,,,,GXWOMHNHOZYRMF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.576,274-357-8,70161-44-3,Sodium N-(hydroxymethyl)glycinate,sodium [(hydroxymethyl)amino]acetate,[Na+].OCNCC(=O)[O-],[Na+].OCNCC(=O)[O-],"InChI=1/C3H7NO3.Na/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7);/q;+1/p-1",C3H7NO3.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18131,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.576,CITBNDNUEPMTFC-UHFFFAOYSA-M,,,,,,,,,,,
100.067.578,274-359-9,70172-07-5,"6-(3-ethoxybuten-1-yl)-1,5,5-trimethylcyclohexene","6-(3-ethoxybut-1-en-1-yl)-1,5,5-trimethylcyclohexene",C\\C1=C\\CCC(C)(C)C1C=CC(C)OCC,C\C1=C\CCC(C)(C)C1C=CC(C)OCC,"InChI=1/C15H26O/c1-6-16-13(3)9-10-14-12(2)8-7-11-15(14,4)5/h8-10,13-14H,6-7,11H2,1-5H3",C15H26O,,,,,,OBPLZLQGJGRDSL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.580,274-362-5,70173-57-8,4-[(2-methoxyphenyl)azo]-5-methyl-o-anisidine,2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methylaniline,COc2ccccc2N=Nc1cc(OC)c(N)cc1C,COc2ccccc2N=Nc1cc(OC)c(N)cc1C,"InChI=1/C15H17N3O2/c1-10-8-11(16)15(20-3)9-13(10)18-17-12-6-4-5-7-14(12)19-2/h4-9H,16H2,1-3H3",C15H17N3O2,,,,,,XUWZYYOJNWCEFC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.596,274-379-8,70198-24-2,"Undecane-1,6,11-triyl triisocyanate","1,6,11-triisocyanatoundecane",O=C=NCCCCCC(CCCCCN=C=O)N=C=O,O=C=NCCCCCC(CCCCCN=C=O)N=C=O,"InChI=1/C14H21N3O3/c18-11-15-9-5-1-3-7-14(17-13-20)8-4-2-6-10-16-12-19/h14H,1-10H2",C14H21N3O3,,,,,,VAGFVLBAZGSOAC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.229,279-476-9,80458-17-9,"Hexahydro-1,3,5-tris(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine","1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane",CC1(C)CC(CC(C)(C)N1)N2CN(CN(C2)C3CC(C)(C)NC(C)(C)C3)C4CC(C)(C)NC(C)(C)C4,CC1(C)CC(CC(C)(C)N1)N2CN(CN(C2)C3CC(C)(C)NC(C)(C)C3)C4CC(C)(C)NC(C)(C)C4,"InChI=1/C30H60N6/c1-25(2)13-22(14-26(3,4)31-25)34-19-35(23-15-27(5,6)32-28(7,8)16-23)21-36(20-34)24-17-29(9,10)33-30(11,12)18-24/h22-24,31-33H,13-21H2,1-12H3",C30H60N6,,,,,,XHQJBVUCGLYKNR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.231,279-479-5,80462-92-6,"N-[5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-(2-methoxyethoxy)phenyl]acetamide","N-{5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)phenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OCCOC)c(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OCCOC)c(cc1NC(C)=O)N(CCOC)CCOC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C23H29ClN6O9/c1-15(31)25-18-13-20(28(5-7-36-2)6-8-37-3)22(39-10-9-38-4)14-19(18)26-27-23-17(24)11-16(29(32)33)12-21(23)30(34)35/h11-14H,5-10H2,1-4H3,(H,25,31)",C23H29ClN6O9,,,,,,ZETKQWGXWDYFDO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.240,279-488-4,80518-48-5,"6-fluoro-1,2,3,4-tetrahydro-2-methylquinolinium chloride","6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolinium chloride",[Cl-].CC1CCc2cc(F)ccc2[NH2+]1,[Cl-].CC1CCc2cc(F)ccc2[NH2+]1,"InChI=1/C10H12FN.ClH/c1-7-2-3-8-6-9(11)4-5-10(8)12-7;/h4-7,12H,2-3H2,1H3;1H",C10H12FN.ClH,,,,,,UFUBHMKHWBJKMI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.875,281-287-1,83916-71-6,"5-deoxy-5-[(3,4-dimethylphenyl)amino]-D-ribitol","5-deoxy-5-[(3,4-dimethylphenyl)amino]-D-ribitol",Cc1ccc(NC[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1C,Cc1ccc(NC[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1C,"InChI=1/C13H21NO4/c1-8-3-4-10(5-9(8)2)14-6-11(16)13(18)12(17)7-15/h3-5,11-18H,6-7H2,1-2H3",C13H21NO4,,,,,,ZPFOXBJGVIUHDO-FRRDWIJNSA-N,,,,,,,,,,,
100.073.885,281-298-1,83918-63-2,"Bis[(3,7-dimethyloct-6-enyl)oxy]methoxymethylsilane","({bis[(3,7-dimethyloct-6-en-1-yl)oxy]methoxy}methyl)silane",CC(CCOC(OC[SiH3])OCCC(C)CCC=C(C)C)CCC=C(C)C,CC(CCOC(OC[SiH3])OCCC(C)CCC=C(C)C)CCC=C(C)C,"InChI=1/C22H44O3Si/c1-18(2)9-7-11-20(5)13-15-23-22(25-17-26)24-16-14-21(6)12-8-10-19(3)4/h9-10,20-22H,7-8,11-17H2,1-6,26H3",C22H44O3Si,,,,,,RUHRRUPGJIGXNV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.887,281-300-0,83918-65-4,Methyltris(2-phenylethoxy)silane,methyl[tris(2-phenylethoxy)]silane,C[Si](OCCc1ccccc1)(OCCc2ccccc2)OCCc3ccccc3,C[Si](OCCc1ccccc1)(OCCc2ccccc2)OCCc3ccccc3,"InChI=1/C25H30O3Si/c1-29(26-20-17-23-11-5-2-6-12-23,27-21-18-24-13-7-3-8-14-24)28-22-19-25-15-9-4-10-16-25/h2-16H,17-22H2,1H3",C25H30O3Si,,,,,,RIZBYEUQGWNDEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.893,281-306-3,83918-71-2,(4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]acetate potassium,potassium (4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate,[K+].Oc1ccc(cc1)C(NC(C)=CC(=O)OC)C([O-])=O,[K+].Oc1ccc(cc1)C(NC(C)=CC(=O)OC)C([O-])=O,"InChI=1/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1",C13H15NO5.K,,,,,,HFDVONAPNRXRSV-UHFFFAOYSA-M,,,,,,,,,,,
100.075.341,282-901-0,84455-39-0,5-phenyl-2-[2-[(5-phenyl-3-propyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-propylbenzoxazolium iodide,"5-phenyl-2-{2-[(5-phenyl-3-propyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-3-propyl-1,3-benzoxazol-3-ium iodide",[I-].CCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCC)c3ccccc3)c6ccccc6,[I-].CCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCC)c3ccccc3)c6ccccc6,"InChI=1/C37H37N2O2.HI/c1-4-21-38-32-25-30(28-13-9-7-10-14-28)17-19-34(32)40-36(38)23-27(6-3)24-37-39(22-5-2)33-26-31(18-20-35(33)41-37)29-15-11-8-12-16-29;/h7-20,23-26H,4-6,21-22H2,1-3H3;1H/q+1;/p-1",C37H37N2O2.I,,,,,,YYIXFNLMGAOCNC-UHFFFAOYSA-M,,,,,,,,,,,
100.075.344,282-904-7,84455-44-7,4-[bis(benzyl)amino]-3-ethoxybenzenediazonium tetrachlorozincate (2:1),bis[4-(dibenzylamino)-3-ethoxybenzenediazonium] tetrachlorozincate(2-),CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N.CCOc4cc(ccc4N(Cc5ccccc5)Cc6ccccc6)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N.CCOc4cc(ccc4N(Cc5ccccc5)Cc6ccccc6)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C22H22N3O.4ClH.Zn/c2*1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;;;;;/h2*3-15H,2,16-17H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C22H22N3O.Cl4Zn/c2*1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;1-5(2,3)4/h2*3-15H,2,16-17H2,1H3;/q2*+1;-2",C22H22N3O.1/2Cl4Zn,,,,,,WAZIYKAKHFKLCY-UHFFFAOYSA-J,,,,,,,,,,,
100.075.346,282-906-8,84455-46-9,Ammonium tris(1-methylethyl)naphthalenesulphonate,"ammonium 2,3,4-triisopropylnaphthalene-1-sulfonate",[NH4+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-],[NH4+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-],"InChI=1/C19H26O3S.H3N/c1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h7-13H,1-6H3,(H,20,21,22);1H3",C19H26O3S.H3N,,,,,,RTXXSGZDJZCXKU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.350,282-911-5,84473-57-4,[2-[bis(2-hydroxyethyl)amino]ethyl] hydrogen phthalate,2-({2-[bis(2-hydroxyethyl)amino]ethoxy}carbonyl)benzoic acid,OCCN(CCO)CCOC(=O)c1ccccc1C(=O)O,OCCN(CCO)CCOC(=O)c1ccccc1C(=O)O,"InChI=1/C14H19NO6/c16-8-5-15(6-9-17)7-10-21-14(20)12-4-2-1-3-11(12)13(18)19/h1-4,16-17H,5-10H2,(H,18,19)",C14H19NO6,,,,,,WJVYXCWEPBPWRG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.267,274-016-3,69472-19-1,3-[butyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile,3-(butyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCCC)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCCC)cc2,"InChI=1/C19H21N5O2/c1-2-3-14-23(15-4-13-20)18-9-5-16(6-10-18)21-22-17-7-11-19(12-8-17)24(25)26/h5-12H,2-4,14-15H2,1H3",C19H21N5O2,,,,,,MVKMKUHSGHKEDT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.273,274-023-1,69496-26-0,"1,4,7,10,13-pentaoxacyclohexadecan-15-ol","1,4,7,10,13-pentaoxacyclohexadecan-15-ol",OC1COCCOCCOCCOCCOC1,OC1COCCOCCOCCOCCOC1,"InChI=1/C11H22O6/c12-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-11/h11-12H,1-10H2",C11H22O6,,,,,,CTIDLNQUMVCIPN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.275,274-025-2,69518-13-4,Dibutyl(2-hydroxyethyl)methylammonium chloride,N-butyl-N-(2-hydroxyethyl)-N-methylbutan-1-aminium chloride,[Cl-].CCCC[N+](C)(CCO)CCCC,[Cl-].CCCC[N+](C)(CCO)CCCC,"InChI=1/C11H26NO.ClH/c1-4-6-8-12(3,10-11-13)9-7-5-2;/h13H,4-11H2,1-3H3;1H/q+1;/p-1",C11H26NO.Cl,,,,,,UXHQVBVFPTWLDB-UHFFFAOYSA-M,,,,,,,,,,,
100.067.283,274-034-1,69538-62-1,Lithium 2-(acetylamino)ethanesulphonate,lithium 2-acetamidoethanesulfonate,[Li+].CC(=O)NCCS(=O)(=O)[O-],[Li+].CC(=O)NCCS(=O)(=O)[O-],"InChI=1/C4H9NO4S.Li/c1-4(6)5-2-3-10(7,8)9;/h2-3H2,1H3,(H,5,6)(H,7,8,9);/q;+1/p-1",C4H9NO4S.Li,,,,,,RXGCWMIGJZJKRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.067.285,274-036-2,69539-53-3,Etintidine,2-cyano-N'-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)-N-prop-2-yn-1-ylethanimidamide,N#CCC(NCC#C)=NCCSCc1ncnc1C,N#CCC(NCC#C)=NCCSCc1ncnc1C,"InChI=1/C13H17N5S/c1-3-6-15-13(4-5-14)16-7-8-19-9-12-11(2)17-10-18-12/h1,10H,4,6-9H2,2H3,(H,15,16)(H,17,18)",C12H16N6S,,,,,,ZGSCRQWREAQBPM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.286,274-037-8,69542-91-2,"2,4-dimethylcyclohexan-1-ol","2,4-dimethylcyclohexanol",CC1CCC(O)C(C)C1,CC1CCC(O)C(C)C1,"InChI=1/C8H16O/c1-6-3-4-8(9)7(2)5-6/h6-9H,3-5H2,1-2H3",C8H16O,,,,,,CKPQAKDCQGMTSO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.287,274-038-3,69542-93-4,"4-[(2,2-dimethylpropionyl)amino]butyric acid","4-[(2,2-dimethylpropanoyl)amino]butanoic acid",CC(C)(C)C(=O)NCCCC(=O)O,CC(C)(C)C(=O)NCCCC(=O)O,"InChI=1/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)",C9H17NO3,,,,,,SRPNQDXRVRCTNK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.289,274-040-4,69563-51-5,"N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)benzenesulphonamide","N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzenesulfonamide",COc1cc(NS(=O)(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1N,COc1cc(NS(=O)(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C21H16N2O5S/c1-28-16-11-15(23-29(26,27)12-7-3-2-4-8-12)17-18(19(16)22)21(25)14-10-6-5-9-13(14)20(17)24/h2-11,23H,22H2,1H3",C21H16N2O5S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15911,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.289,ZUWHJJGOYZUNDW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.292,274-044-6,69570-39-4,S-(3-chloro-2-methyl-3-oxopropyl) (S)-ethanethioate,S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate,C[C@@H](CSC(=O)C)C(=O)Cl,C[C@@H](CSC(=O)C)C(=O)Cl,"InChI=1/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3",C6H9ClO2S,,,,,,LUDPWTHDXSOXDX-BYPYZUCNSA-N,,,,,,,,,,,
100.067.304,274-057-7,69628-75-7,1-(1-phenylethyl)piperazine,1-(1-phenylethyl)piperazine,CC(N1CCNCC1)c2ccccc2,CC(N1CCNCC1)c2ccccc2,"InChI=1/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3",C12H18N2,,,,,,PYBNQKSXWAIBKN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.450,276-417-9,72152-65-9,"Pentasodium 5-[[2,4-dihydroxy-5-[[4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate","pentasodium 5-[(2,4-dihydroxy-5-{[4-(6-methyl-1,3-benzothiazol-2-yl)-3-sulfonatophenyl]diazenyl}phenyl)diazenyl]-4-hydroxy-3-({3-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2S([O-])(=O)=O)N=Nc3c(O)c8c(cc3S([O-])(=O)=O)cc(cc8N=Nc7cc(N=Nc6ccc(c4nc5ccc(C)cc5s4)c(c6)S([O-])(=O)=O)c(O)cc7O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2S([O-])(=O)=O)N=Nc3c(O)c8c(cc3S([O-])(=O)=O)cc(cc8N=Nc7cc(N=Nc6ccc(c4nc5ccc(C)cc5s4)c(c6)S([O-])(=O)=O)c(O)cc7O)S([O-])(=O)=O,"InChI=1/C42H29N9O18S6.5Na/c1-20-2-10-28-35(12-20)70-42(43-28)27-9-5-23(15-36(27)73(61,62)63)45-48-30-18-31(34(53)19-33(30)52)49-50-32-17-26(72(58,59)60)13-21-14-38(75(67,68)69)40(41(54)39(21)32)51-46-24-6-11-29(37(16-24)74(64,65)66)47-44-22-3-7-25(8-4-22)71(55,56)57;;;;;/h2-19,52-54H,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;/q;5*+1/p-5",C42H29N9O18S6.5Na,,,,,,NLKWMNQDZZJOEB-UHFFFAOYSA-I,,,,,,,,,,,
100.063.977,270-395-4,68427-37-2,Ammonium 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazole-5-sulphonate,"ammonium 2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-benzoxazole-5-sulfonate",[NH4+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(cc4n3)S(=O)(=O)[O-],[NH4+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(cc4n3)S(=O)(=O)[O-],"InChI=1/C20H18N2O6S.H3N/c1-3-22(4-2)13-6-5-12-9-15(20(23)28-18(12)10-13)19-21-16-11-14(29(24,25)26)7-8-17(16)27-19;/h5-11H,3-4H2,1-2H3,(H,24,25,26);1H3",C20H18N2O6S.H3N,,,,,,RFMJEJCQFWMDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.065.500,272-071-8,68683-32-9,"1,2-bis(2,4,6-trinitrophenyl)hydrazine","1,2-bis(2,4,6-trinitrophenyl)hydrazine",[O-][N+](=O)c1cc(c(NNc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(NNc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H6N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4,13-14H",C12H6N8O12,,,,,,MBDNFKYTGJTTQI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.452,275-320-9,71317-49-2,Sodium tetracosyl sulphate,sodium tetracosyl sulfate,[Na+].CCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C24H50O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25,26)27;/h2-24H2,1H3,(H,25,26,27);/q;+1/p-1",C24H50O4S.Na,,,,,,JTESKNWFQRABFY-UHFFFAOYSA-M,,,,,,,,,,,
100.068.454,275-323-5,71317-51-6,Ammonium hexacosyl sulphate,ammonium hexacosyl sulfate,[NH4+].CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C26H54O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29;/h2-26H2,1H3,(H,27,28,29);1H3",C26H54O4S.H3N,,,,,,ZUNPGIOIGBARJG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.456,275-325-6,71317-54-9,"Octacosyl hydrogen sulphate, compound with 2,2',2''-nitrilotriethanol (1:1)","octacosyl hydrogen sulfate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,"InChI=1/C28H58O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;8-4-1-7(2-5-9)3-6-10/h2-28H2,1H3,(H,29,30,31);8-10H,1-6H2",C28H58O4S.C6H15NO3,,,,,,JAXSHYROBVRTBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.469,275-339-2,71334-64-0,"1,5-bis[[4-(pentyloxy)phenyl]amino]anthraquinone","1,5-bis{[4-(pentyloxy)phenyl]amino}-9,10-anthraquinone",CCCCCOc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(OCCCCC)cc5)cccc4C(=O)c23)cc1,CCCCCOc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(OCCCCC)cc5)cccc4C(=O)c23)cc1,"InChI=1/C36H38N2O4/c1-3-5-7-23-41-27-19-15-25(16-20-27)37-31-13-9-11-29-33(31)35(39)30-12-10-14-32(34(30)36(29)40)38-26-17-21-28(22-18-26)42-24-8-6-4-2/h9-22,37-38H,3-8,23-24H2,1-2H3",C36H38N2O4,,,,,,LZAWOWSBLQZKOH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.472,275-342-9,71335-92-7,"1,5-bis[[4-(1-methylethyl)phenyl]amino]anthraquinone","1,5-bis[(4-isopropylphenyl)amino]-9,10-anthraquinone",CC(C)c1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(cc5)C(C)C)cccc4C(=O)c23)cc1,CC(C)c1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(cc5)C(C)C)cccc4C(=O)c23)cc1,"InChI=1/C32H30N2O2/c1-19(2)21-11-15-23(16-12-21)33-27-9-5-7-25-29(27)31(35)26-8-6-10-28(30(26)32(25)36)34-24-17-13-22(14-18-24)20(3)4/h5-20,33-34H,1-4H3",C32H30N2O2,,,,,,XMZQPOLSQHYOOW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.492,275-364-9,71400-22-1,2-hydroxy-3-(2-hydroxy-1-oxopropoxy)propyl oleate,2-hydroxy-3-(lactoyloxy)propyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)COC(=O)C(C)O,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)C(C)O,"InChI=1/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)29-19-22(26)20-30-24(28)21(2)25/h10-11,21-22,25-26H,3-9,12-20H2,1-2H3",C24H44O6,,,,,,BWZLMHVNONMDSZ-KHPPLWFESA-N,,,,,,,,,,,
100.069.060,275-989-7,71758-10-6,6-sec-butyl-2-ethylaniline,2-sec-butyl-6-ethylaniline,CCC(C)c1cccc(CC)c1N,CCC(C)c1cccc(CC)c1N,"InChI=1/C12H19N/c1-4-9(3)11-8-6-7-10(5-2)12(11)13/h6-9H,4-5,13H2,1-3H3",C12H19N,,,,,,ZZWRNKKMYDEAIK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.064,275-993-9,71767-11-8,"3,4-dihydromethoxynaphthalen-1-one","2-methoxy-3,4-dihydronaphthalen-1(2H)-one",COC1CCc2ccccc2C1=O,COC1CCc2ccccc2C1=O,"InChI=1/C11H12O2/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-5,10H,6-7H2,1H3",C11H12O2,,,,,,ZUKTUEOOOXEFML-UHFFFAOYSA-N,,,,,,,,,,,
100.069.084,276-015-3,71786-65-7,"5-[[(9,10-dihydro-9,10-dioxo-1-anthryl)imino]methyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","5-{[(9,10-dioxo-9,10-dihydroanthracen-1-yl)imino]methyl}-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",N#C\\C4=C(/C)C(/C=Nc3cccc2C(=O)c1ccccc1C(=O)c23)=C(/O)NC4=O,N#C\C4=C(/C)C(/C=Nc3cccc2C(=O)c1ccccc1C(=O)c23)=C(/O)NC4=O,"InChI=1/C22H13N3O4/c1-11-15(9-23)21(28)25-22(29)16(11)10-24-17-8-4-7-14-18(17)20(27)13-6-3-2-5-12(13)19(14)26/h2-8,10H,1H3,(H2,25,28,29)",C22H13N3O4,,,,,,HYCCDMIQCZZNGK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.085,276-016-9,71786-66-8,"N-[5-[[(5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridyl)methylene]amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-(5-{[(5-cyano-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridin-3-yl)methylene]amino}-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",O=C5NC(\\O)=C(\\C#N)C(\\C)=C5\\C=Nc4cccc3C(=O)c2c(NC(=O)c1ccccc1)cccc2C(=O)c34,O=C5NC(\O)=C(\C#N)C(\C)=C5\C=Nc4cccc3C(=O)c2c(NC(=O)c1ccccc1)cccc2C(=O)c34,"InChI=1/C29H18N4O5/c1-15-19(13-30)28(37)33-29(38)20(15)14-31-21-11-5-9-17-23(21)25(34)18-10-6-12-22(24(18)26(17)35)32-27(36)16-7-3-2-4-8-16/h2-12,14H,1H3,(H,32,36)(H2,33,37,38)",C29H18N4O5,,,,,,MSMDFEZWBGBGKD-UHFFFAOYSA-N,,,,,,,,,,,
100.065.253,271-800-7,68608-77-5,"Benzenamine, 2-ethyl-N-(2-ethylphenyl)-, (tripropenyl) derivs.","3,5-diallyl-N-(3-allyl-2-ethylphenyl)-2-ethylaniline",CCc1c(CC=C)cccc1Nc2cc(CC=C)cc(CC=C)c2CC,CCc1c(CC=C)cccc1Nc2cc(CC=C)cc(CC=C)c2CC,"InChI=1/C25H31N/c1-6-12-19-17-21(14-8-3)23(10-5)25(18-19)26-24-16-11-15-20(13-7-2)22(24)9-4/h6-8,11,15-18,26H,1-3,9-10,12-14H2,4-5H3",-,,,,,,CJFAGAXJFSYDLE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.499,275-372-2,71411-68-2,Potassium m-(diethylamino)benzenesulphonate,potassium 3-(diethylamino)benzenesulfonate,[K+].CCN(CC)c1cccc(c1)S(=O)(=O)[O-],[K+].CCN(CC)c1cccc(c1)S(=O)(=O)[O-],"InChI=1/C10H15NO3S.K/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1",C10H15NO3S.K,,,,,,FKCSRBUZGUJDDO-UHFFFAOYSA-M,,,,,,,,,,,
100.063.500,269-871-4,68368-40-1,"2,6-dichloro-3-nitrotoluene-4-sulphonic acid","3,5-dichloro-4-methyl-2-nitrobenzenesulfonic acid",Cc1c(Cl)cc(c(c1Cl)[N+](=O)[O-])S(=O)(=O)O,Cc1c(Cl)cc(c(c1Cl)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H5Cl2NO5S/c1-3-4(8)2-5(16(13,14)15)7(6(3)9)10(11)12/h2H,1H3,(H,13,14,15)",C7H5Cl2NO5S,,,,,,ABQUUVRUHRHFHR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.598,274-381-9,70206-24-5,"(Z,Z)-2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium methyl sulphate","2-heptadec-8-en-1-yl-1-methyl-1-[2-(oleoylamino)ethyl]-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCC\\C=C/CCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCC\\C=C/CCCCCCCC.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCC\C=C/CCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)",C41H78N3O.CH3O4S,,,,,,ASOLQNQTXIEOPJ-YIQDKWKASA-N,,,,,,,,,,,
100.069.515,276-489-1,72221-03-5,2-isopropyl-2-methyloxirane,2-isopropyl-2-methyloxirane,CC(C)C1(C)CO1,CC(C)C1(C)CO1,"InChI=1/C6H12O/c1-5(2)6(3)4-7-6/h5H,4H2,1-3H3",C6H12O,,,,,,JATXAMXFNMUGBL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.523,276-498-0,72230-92-3,1-ethynylcyclohexyl isobutyrate,1-ethynylcyclohexyl 2-methylpropanoate,CC(C)C(=O)OC1(CCCCC1)C#C,CC(C)C(=O)OC1(CCCCC1)C#C,"InChI=1/C12H18O2/c1-4-12(8-6-5-7-9-12)14-11(13)10(2)3/h1,10H,5-9H2,2-3H3",C12H18O2,,,,,,XORMBOZPLKMQMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.529,276-505-7,72237-78-6,"4,9-dihydro-6-methoxy-1,4-dimethyl-3H-carbazole-2-carbaldehyde","6-methoxy-1,4-dimethyl-4,9-dihydro-3H-carbazole-2-carbaldehyde",COc1ccc2[nH]c3C(=C(CC(C)c3c2c1)C=O)C,COc1ccc2[nH]c3C(=C(CC(C)c3c2c1)C=O)C,"InChI=1/C16H17NO2/c1-9-6-11(8-18)10(2)16-15(9)13-7-12(19-3)4-5-14(13)17-16/h4-5,7-9,17H,6H2,1-3H3",C16H17NO2,,,,,,NMQSCTOGZSRWRM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.533,276-509-9,72237-94-6,"2,6-dihydro-9-methoxy-5,11-dimethyl-1H-pyrido[4,3-b]carbazol-1-one","9-methoxy-5,11-dimethyl-2,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one",COc1ccc2[nH]c3c(C)c4C=CNC(=O)c4c(C)c3c2c1,COc1ccc2[nH]c3c(C)c4C=CNC(=O)c4c(C)c3c2c1,"InChI=1/C18H16N2O2/c1-9-12-6-7-19-18(21)16(12)10(2)15-13-8-11(22-3)4-5-14(13)20-17(9)15/h4-8,20H,1-3H3,(H,19,21)",C18H16N2O2,,,,,,PHHARXZXERDTMG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.535,276-512-5,72238-02-9,"N,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine","N,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine",CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12,CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12,"InChI=1/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30-5)9-10-21(20)28-24(22)16(3)19(23)11-13-27-25/h9-11,13,15,28H,6-8,12,14H2,1-5H3,(H,26,27)",C25H32N4O,,,,,,PAVKBQLPQCDVNI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.538,276-515-1,72243-89-1,"Disodium 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(3-{[(5-chloro-2,6-difluoropyrimidin-4-yl)(methyl)amino]methyl}-4-methoxy-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1CN(C)c5nc(F)nc(F)c5Cl)S(=O)(=O)[O-],[Na+].[Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1CN(C)c5nc(F)nc(F)c5Cl)S(=O)(=O)[O-],"InChI=1/C27H20ClF2N5O9S2.2Na/c1-35(26-20(28)25(29)33-27(30)34-26)10-13-16(44-2)8-7-14(24(13)46(41,42)43)32-15-9-17(45(38,39)40)21(31)19-18(15)22(36)11-5-3-4-6-12(11)23(19)37;;/h3-9,32H,10,31H2,1-2H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C27H20ClF2N5O9S2.2Na,,,,,,FSVQGFGIZGYRLT-UHFFFAOYSA-L,,,,,,,,,,,
100.069.539,276-516-7,72243-90-4,"Disodium 3-[[4-amino-9,10-dihydro-9,10-dioxo-3-[sulphonato-4-(1,1,3,3-tetramethylbutyl)phenoxy]-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate","disodium 3-({4-amino-9,10-dioxo-3-[2-sulfonato-4-(1,1,3,3-tetramethylbutyl)phenoxy]-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonate",[Na+].[Na+].Cc1cc(C)c(c(C)c1Nc2cc(Oc3ccc(cc3S(=O)(=O)[O-])C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)[O-],[Na+].[Na+].Cc1cc(C)c(c(C)c1Nc2cc(Oc3ccc(cc3S(=O)(=O)[O-])C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)[O-],"InChI=1/C37H40N2O9S2.2Na/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6;;/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C37H40N2O9S2.2Na,,,,,,VVIVVAIHOWVTHB-UHFFFAOYSA-L,,,,,,,,,,,
100.064.694,271-185-5,68516-82-5,Sodium 5-hexadecylsalicylate,sodium 5-hexadecyl-2-hydroxybenzoate,[Na+].CCCCCCCCCCCCCCCCc1ccc(O)c(c1)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCc1ccc(O)c(c1)C(=O)[O-],"InChI=1/C23H38O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26;/h17-19,24H,2-16H2,1H3,(H,25,26);/q;+1/p-1",C23H38O3.Na,,,,,,XPWPLTZVHWUMQS-UHFFFAOYSA-M,,,,,,,,,,,
100.064.721,271-214-1,68526-57-8,"Alkenes, C10-12, C11-rich",undec-5-ene,CCCCC\\C=C\\CCCC,CCCCC\C=C\CCCC,"InChI=1/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h9,11H,3-8,10H2,1-2H3",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/2143,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.721,NGCRXXLKJAAUQQ-PKNBQFBNSA-N,,,,,,,,,,,
100.065.829,272-433-5,68834-07-1,"2-[[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl]amino]-9-methoxy-1H-xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione","2-({[{4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl}(methoxymethyl)amino]methyl}amino)-9-methoxy-1H-benzo[3,4]isochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione",COCN(CNN1C(=O)c2ccc3Oc4ccc(OC)cc4c5ccc(C1=O)c2c35)c6nc(nc(n6)N(COC)COC)N(COC)COC,COCN(CNN1C(=O)c2ccc3Oc4ccc(OC)cc4c5ccc(C1=O)c2c35)c6nc(nc(n6)N(COC)COC)N(COC)COC,"InChI=1/C33H38N8O9/c1-44-15-38(31-35-32(39(16-45-2)17-46-3)37-33(36-31)40(18-47-4)19-48-5)14-34-41-29(42)22-9-8-21-24-13-20(49-6)7-11-25(24)50-26-12-10-23(30(41)43)27(22)28(21)26/h7-13,34H,14-19H2,1-6H3",C33H38N8O9,,,,,,MNURKULVBXOAGD-UHFFFAOYSA-N,,,,,,,,,,,
100.075.353,282-914-1,84473-60-9,Sodium 4-methoxynaphthalenesulphonate,sodium 4-methoxynaphthalene-1-sulfonate,[Na+].COc1ccc(c2ccccc12)S(=O)(=O)[O-],[Na+].COc1ccc(c2ccccc12)S(=O)(=O)[O-],"InChI=1/C11H10O4S.Na/c1-15-10-6-7-11(16(12,13)14)9-5-3-2-4-8(9)10;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1",C11H10O4S.Na,,,,,,KVPSHPHORMRGOT-UHFFFAOYSA-M,,,,,,,,,,,
100.075.355,282-916-2,84473-62-1,"Methyl 4-oxopiperidine-3-carboxylate, sodium salt",-,[Na+].COC(=O)C1CNCCC1=O,[Na+].COC(=O)C1CNCCC1=O,"InChI=1/C7H11NO3.Na/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;/q;+1",C7H11NO3.Na,,,,,,WTRYRUMYRADYBX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.359,282-920-4,84473-66-5,1-butylpiperazine dihydrobromide,1-butylpiperazine dihydrobromide,Br.Br.CCCCN1CCNCC1,Br.Br.CCCCN1CCNCC1,"InChI=1/C8H18N2.2BrH/c1-2-3-6-10-7-4-9-5-8-10;;/h9H,2-8H2,1H3;2*1H",C8H18N2.2BrH,,,,,,ARUMSSWPTOMPGL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.361,282-923-0,84473-68-7,S-[2-(4-methyl-3-cyclohexen-1-yl)propyl] ethanethioate,S-[2-(4-methylcyclohex-3-en-1-yl)propyl] ethanethioate,CC(CSC(=O)C)C1CCC(=CC1)C,CC(CSC(=O)C)C1CCC(=CC1)C,"InChI=1/C12H20OS/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,10,12H,5-8H2,1-3H3",C12H20OS,,,,,,KVTQIJGKPSMKAY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.362,282-924-6,84473-69-8,Bis(2-hydroxypropyl)ammonium palmitate,2-hydroxy-N-(2-hydroxypropyl)propan-1-aminium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH2+]CC(C)O,CCCCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH2+]CC(C)O,"InChI=1/C16H32O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(8)3-7-4-6(2)9/h2-15H2,1H3,(H,17,18);5-9H,3-4H2,1-2H3",C16H32O2.C6H15NO2,,,,,,MAYNZVTZQFEHFN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.344,285-109-3,85029-84-1,"Dihydro-6'-hydroxyspiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'(3'aH)-one","6'-hydroxydihydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxol]-4'(3a'H)-one",OC1OC(=O)C2OC3(CCCCC3)OC12,OC1OC(=O)C2OC3(CCCCC3)OC12,"InChI=1/C10H14O5/c11-8-6-7(9(12)13-8)15-10(14-6)4-2-1-3-5-10/h6-8,11H,1-5H2",C10H14O5,,,,,,GHGRKHAVPBZSIH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.353,285-119-8,85029-96-5,Bis[bis(2-hydroxyethyl)ammonium] heptanedioate,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] pimelate,OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCCCCC(=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCCCCC(=O)[O-],"InChI=1/C7H12O4.2C4H11NO2/c8-6(9)4-2-1-3-5-7(10)11;2*6-3-1-5-2-4-7/h1-5H2,(H,8,9)(H,10,11);2*5-7H,1-4H2",C7H12O4.2C4H11NO2,,,,,,OLRWJLYTZWCENN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.358,285-125-0,85030-01-9,"Dodecanedioic acid, compound with 2,2'-iminodiethanol (1:2)","dodecanedioic acid - 2,2'-iminodiethanol (1:2)",OCCNCCO.OCCNCCO.OC(=O)CCCCCCCCCCC(=O)O,OCCNCCO.OCCNCCO.OC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C12H22O4.2C4H11NO2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;2*6-3-1-5-2-4-7/h1-10H2,(H,13,14)(H,15,16);2*5-7H,1-4H2",C12H22O4.2C4H11NO2,,,,,,NTFDWJSSZLBXTM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.359,285-126-6,85030-02-0,"Adipic acid, compound with 2,2',2''-nitrilotriethanol (1:2)","hexanedioic acid - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCC(=O)O,OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCC(=O)O,"InChI=1/2C6H15NO3.C6H10O4/c2*8-4-1-7(2-5-9)3-6-10;7-5(8)3-1-2-4-6(9)10/h2*8-10H,1-6H2;1-4H2,(H,7,8)(H,9,10)",C6H15NO3.1/2C6H10O4,,,,,,SWKCTIFLXPMDFL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.360,285-127-1,85030-03-1,Bis[tris(2-hydroxyethyl)ammonium] heptanedioate,"bis[2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium] pimelate",OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCCCCC(=O)[O-],OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCCCCC(=O)[O-],"InChI=1/C7H12O4.2C6H15NO3/c8-6(9)4-2-1-3-5-7(10)11;2*8-4-1-7(2-5-9)3-6-10/h1-5H2,(H,8,9)(H,10,11);2*8-10H,1-6H2",C7H12O4.2C6H15NO3,,,,,,LHPGYNAVUHSADT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.363,285-130-8,85030-06-4,"Sebacic acid, compound with 2,2',2''-nitrilotriethanol (1:2)","decanedioic acid - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCC(=O)O,OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.2C6H15NO3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*8-4-1-7(2-5-9)3-6-10/h1-8H2,(H,11,12)(H,13,14);2*8-10H,1-6H2",C10H18O4.2C6H15NO3,,,,,,VGRTVLVGICQTDF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.369,285-137-6,85030-12-2,"2-[[(2-hydroxyethyl)methylamino]methyl]-1,2-benzisothiazol-3(2H)-one","2-{[(2-hydroxyethyl)(methyl)amino]methyl}-1,2-benzisothiazol-3(2H)-one",CN(CCO)CN1Sc2ccccc2C1=O,CN(CCO)CN1Sc2ccccc2C1=O,"InChI=1/C11H14N2O2S/c1-12(6-7-14)8-13-11(15)9-4-2-3-5-10(9)16-13/h2-5,14H,6-8H2,1H3",C11H14N2O2S,,,,,,ZFGLHALAVZEHQD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.371,285-139-7,85030-14-4,"3-(p-cumenyl)-1,3-dimethylbutyl acetate","3-(4-isopropylphenyl)-1,3-dimethylbutyl acetate",CC(C)c1ccc(cc1)C(C)(C)CC(C)OC(=O)C,CC(C)c1ccc(cc1)C(C)(C)CC(C)OC(=O)C,"InChI=1/C17H26O2/c1-12(2)15-7-9-16(10-8-15)17(5,6)11-13(3)19-14(4)18/h7-10,12-13H,11H2,1-6H3",C17H26O2,,,,,,YOAFYFRIGIIHLI-UHFFFAOYSA-N,,,,,,,,,,,
100.077.373,285-141-8,85030-16-6,"1,5,9-trimethyl-1-vinyldeca-4,8-dienyl phenylacetate","1,5,9-trimethyl-1-vinyldeca-4,8-dien-1-yl phenylacetate",C/C(C)=C\\CCC(C)=CCCC(C)(OC(=O)Cc1ccccc1)C=C,C/C(C)=C\CCC(C)=CCCC(C)(OC(=O)Cc1ccccc1)C=C,"InChI=1/C23H32O2/c1-6-23(5,17-11-14-20(4)13-10-12-19(2)3)25-22(24)18-21-15-8-7-9-16-21/h6-9,12,14-16H,1,10-11,13,17-18H2,2-5H3",C23H32O2,,,,,,FHYSZDJZDKDKIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.520,272-093-8,68698-64-6,"Potassium 3,5-bis(tert-butyl)-4-hydroxybenzoate","potassium 3,5-di-tert-butyl-4-hydroxybenzoate",[K+].CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)[O-],[K+].CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)[O-],"InChI=1/C15H22O3.K/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;/h7-8,16H,1-6H3,(H,17,18);/q;+1/p-1",C15H22O3.K,,,,,,QCUHVKUWJDHDHF-UHFFFAOYSA-M,,,,,,,,,,,
100.065.529,272-104-6,68715-88-8,"2-[(2-amino-p-nitrophenyl)amino]propane-1,3-diol","2-[(2-amino-4-nitrophenyl)amino]propane-1,3-diol",Nc1cc(ccc1NC(CO)CO)[N+](=O)[O-],Nc1cc(ccc1NC(CO)CO)[N+](=O)[O-],"InChI=1/C9H13N3O4/c10-8-3-7(12(15)16)1-2-9(8)11-6(4-13)5-14/h1-3,6,11,13-14H,4-5,10H2",C9H13N3O4,,,,,,NNVUKLWUEXAKSE-UHFFFAOYSA-N,,,,,,,,,,,
100.065.530,272-105-1,68715-89-9,"2-(2,4-dinitroanilino)-2-(hydroxymethyl)propane-1,3-diol","2-[(2,4-dinitrophenyl)amino]-2-(hydroxymethyl)propane-1,3-diol",OCC(CO)(CO)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],OCC(CO)(CO)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H13N3O7/c14-4-10(5-15,6-16)11-8-2-1-7(12(17)18)3-9(8)13(19)20/h1-3,11,14-16H,4-6H2",C10H13N3O7,,,,,,HJZRUEKYRVURRV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.532,272-107-2,68715-91-3,Ethyl 4-[2-nitro-4-[(1-oxooctadecyl)amino]anilino]phenyl carbonate,ethyl 4-{[2-nitro-4-(stearoylamino)phenyl]amino}phenyl carbonate,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Nc2ccc(OC(=O)OCC)cc2)c(c1)[N+](=O)[O-],CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Nc2ccc(OC(=O)OCC)cc2)c(c1)[N+](=O)[O-],"InChI=1/C33H49N3O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(37)35-28-22-25-30(31(26-28)36(39)40)34-27-20-23-29(24-21-27)42-33(38)41-4-2/h20-26,34H,3-19H2,1-2H3,(H,35,37)",C33H49N3O6,,,,,,ZKFBNPLIKFKRNO-UHFFFAOYSA-N,,,,,,,,,,,
100.065.534,272-109-3,68735-84-2,"1,3,4,6-tetrakis-O-(1-oxotetradecyl)-ß-D-fructofuranosyl-a-D-glucopyranoside tetramyristate","1,3,4,6-tetrakis-O-(1-oxotetradecyl)-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetramyristate",CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCC)(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2[O-])[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCC)(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2[O-])[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,"InChI=1/C68H125O15.4C14H28O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-58(70)77-54-57-64(80-60(72)51-47-43-39-35-31-27-23-19-15-11-7-3)66(81-61(73)52-48-44-40-36-32-28-24-20-16-12-8-4)68(82-57,83-65-63(75)62(74)56(53-69)79-67(65)76)55-78-59(71)50-46-42-38-34-30-26-22-18-14-10-6-2;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h56-57,62-67,69,74-75H,5-55H2,1-4H3;4*2-13H2,1H3,(H,15,16)/q-1;;;;/p-4",C124H230O19,,,,,,BRCLYBQNUJXWIV-SHLJRFQESA-J,,,,,,,,,,,
100.065.539,272-115-6,68738-85-2,4-ethylmorpholinium 4-methylbenzene-1-sulphonate,4-ethylmorpholin-4-ium 4-methylbenzenesulfonate,CC[NH+]1CCOCC1.Cc2ccc(cc2)S(=O)(=O)[O-],CC[NH+]1CCOCC1.Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C7H8O3S.C6H13NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-7-3-5-8-6-4-7/h2-5H,1H3,(H,8,9,10);2-6H2,1H3",C7H8O3S.C6H13NO,,,,,,WZNAQJZHNGXMOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.541,272-117-7,68738-87-4,"3,7-dihydro-1H-purine-2,6-dione, sodium salt",-,[Na+].O=C1NC(=O)c2nc[nH]c2N1,[Na+].O=C1NC(=O)c2nc[nH]c2N1,"InChI=1/C5H4N4O2.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1",C5H4N4O2.xNa,,,,,,HKDXLLDCXWUUKY-UHFFFAOYSA-N,,,,,,,,,,,
100.065.550,272-127-1,68739-05-9,Disodium (acetoxyoctadecanediyl) bis(sulphate),"disodium 1-acetoxyoctadecane-1,1-diyl disulfate",[Na+].[Na+].CCCCCCCCCCCCCCCCCC(OC(=O)C)(OS(=O)(=O)[O-])OS(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCC(OC(=O)C)(OS(=O)(=O)[O-])OS(=O)(=O)[O-],"InChI=1/C20H40O10S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(28-19(2)21,29-31(22,23)24)30-32(25,26)27;;/h3-18H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C20H40O10S2.2Na,,,,,,XXCUWAPRBWNODU-UHFFFAOYSA-L,,,,,,,,,,,
100.065.561,272-139-7,68751-57-5,"2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol","[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol",OCC1COC(CBr)(O1)c2ccc(Cl)cc2Cl,OCC1COC(CBr)(O1)c2ccc(Cl)cc2Cl,"InChI=1/C11H11BrCl2O3/c12-6-11(16-5-8(4-15)17-11)9-2-1-7(13)3-10(9)14/h1-3,8,15H,4-6H2",C11H11BrCl2O3,,,,,,KWVAKSFLLNZGBK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.306,274-059-8,69630-21-3,N-[2-[[2-hydroxy-3-[4-(phenylmethoxy)phenoxy]propyl]amino]ethyl]morpholine-4-carboxamide,N-[2-({3-[4-(benzyloxy)phenoxy]-2-hydroxypropyl}amino)ethyl]morpholine-4-carboxamide,OC(CNCCNC(=O)N1CCOCC1)COc2ccc(OCc3ccccc3)cc2,OC(CNCCNC(=O)N1CCOCC1)COc2ccc(OCc3ccccc3)cc2,"InChI=1/C23H31N3O5/c27-20(16-24-10-11-25-23(28)26-12-14-29-15-13-26)18-31-22-8-6-21(7-9-22)30-17-19-4-2-1-3-5-19/h1-9,20,24,27H,10-18H2,(H,25,28)",C23H31N3O5,,,,,,DINWMSNRUNFXQT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.308,274-061-9,69637-93-0,"5,12-dihydropyrazino[2,3-b:5,6-b']diquinoxaline","5,12-dihydropyrazino[2,3-b:5,6-b']diquinoxaline",N1C2=NC3=Nc4ccccc4NC3=NC2=Nc5ccccc15,N1C2=NC3=Nc4ccccc4NC3=NC2=Nc5ccccc15,"InChI=1/C16H10N6/c1-2-6-10-9(5-1)17-13-14(18-10)22-16-15(21-13)19-11-7-3-4-8-12(11)20-16/h1-8H,(H,17,19,21)(H,18,20,22)",C16H10N6,,,,,,KJCRNHQXMXUTEB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.502,269-874-0,68368-42-3,1-isopropyl-2-(methoxymethyl)-4-nitrobenzene,1-isopropyl-2-(methoxymethyl)-4-nitrobenzene,COCc1cc(ccc1C(C)C)[N+](=O)[O-],COCc1cc(ccc1C(C)C)[N+](=O)[O-],"InChI=1/C11H15NO3/c1-8(2)11-5-4-10(12(13)14)6-9(11)7-15-3/h4-6,8H,7H2,1-3H3",C11H15NO3,,,,,,SLWIWWNAEFYJIS-UHFFFAOYSA-N,,,,,,,,,,,
100.069.102,276-035-2,71799-94-5,Potassium 6-bromo-2-naphthyl sulphate,potassium 6-bromo-2-naphthyl sulfate,[K+].[O-]S(=O)(=O)Oc1ccc2cc(Br)ccc2c1,[K+].[O-]S(=O)(=O)Oc1ccc2cc(Br)ccc2c1,"InChI=1/C10H7BrO4S.K/c11-9-3-1-8-6-10(15-16(12,13)14)4-2-7(8)5-9;/h1-6H,(H,12,13,14);/q;+1/p-1",C10H7BrO4S.K,,,,,,MYMXPVXZMNQAMO-UHFFFAOYSA-M,,,,,,,,,,,
100.069.106,276-039-4,71808-65-6,Methoxydimethyloctadecylsilane,methoxy(dimethyl)octadecylsilane,CCCCCCCCCCCCCCCCCC[Si](C)(C)OC,CCCCCCCCCCCCCCCCCC[Si](C)(C)OC,"InChI=1/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3,4)22-2/h5-21H2,1-4H3",C21H46OSi,,,,,,RUFRLNPHRPYBLF-UHFFFAOYSA-N,,,,,,,,,,,
100.065.294,271-845-2,68609-96-1,"Oxirane, mono[(C8-10-alkyloxy)methyl] derivs.",2-[(nonyloxy)methyl]oxirane,CCCCCCCCCOCC1CO1,CCCCCCCCCOCC1CO1,"InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-13-10-12-11-14-12/h12H,2-11H2,1H3",-,,,,,,KEKXMAURKVLACV-UHFFFAOYSA-N,,,,,,,,,,,
100.067.061,273-788-9,69024-91-5,4-(4-chlorophenyl)-5-methyl-1H-imidazole hydrochloride,4-(4-chlorophenyl)-5-methyl-1H-imidazole hydrochloride,Cl.Cc1[nH]cnc1c2ccc(Cl)cc2,Cl.Cc1[nH]cnc1c2ccc(Cl)cc2,"InChI=1/C10H9ClN2.ClH/c1-7-10(13-6-12-7)8-2-4-9(11)5-3-8;/h2-6H,1H3,(H,12,13);1H",C10H9ClN2.xClH,,,,,,PIAMNHTVFPWVHG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.558,269-935-1,68391-24-2,"[4-[(2-chlorophenyl)[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride","N-(4-{(2-chlorophenyl)[4-(diethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride",[Cl-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3Cl,[Cl-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3Cl,"InChI=1/C27H32ClN2.ClH/c1-5-29(6-2)23-17-13-21(14-18-23)27(25-11-9-10-12-26(25)28)22-15-19-24(20-16-22)30(7-3)8-4;/h9-20H,5-8H2,1-4H3;1H/q+1;/p-1",C27H32ClN2.Cl,,,,,,BYEFPVHXDRKQAC-UHFFFAOYSA-M,,,,,,,,,,,
100.063.566,269-944-0,68391-32-2,[8-[(4-amino-3-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride,"8-[(4-amino-3-nitrophenyl)diazenyl]-7-hydroxy-N,N,N-trimethylnaphthalen-2-aminium chloride",[Cl-].[O-][N+](=O)c1cc(ccc1N)N=Nc2c3cc(ccc3ccc2O)[N+](C)(C)C,[Cl-].[O-][N+](=O)c1cc(ccc1N)N=Nc2c3cc(ccc3ccc2O)[N+](C)(C)C,"InChI=1/C19H19N5O3.ClH/c1-24(2,3)14-7-4-12-5-9-18(25)19(15(12)11-14)22-21-13-6-8-16(20)17(10-13)23(26)27;/h4-11H,1-3H3,(H2-,20,21,22,25);1H",C19H20N5O3.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17332,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.566,CMPPYVDBIJWGCB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.113,273-845-8,69049-03-2,"1-(2-chloroethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one","1-(2-chloroethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one",CCN1N=NN(CCCl)C1=O,CCN1N=NN(CCCl)C1=O,"InChI=1/C5H9ClN4O/c1-2-9-5(11)10(4-3-6)8-7-9/h2-4H2,1H3",C5H9ClN4O,,,,,,CKOJGMKAXXTOLV-UHFFFAOYSA-N,,,,,,,,,,,
100.067.120,273-853-1,69064-21-7,"Methacrylic acid, tin salt",-,[Sn+4].CC(=C)C(=O)[O-],[Sn+4].CC(=C)C(=O)[O-],"InChI=1/C4H6O2.Sn/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+4/p-1",C4H6O2.xSn,,,,,,QNDSQOYTTNHQSF-UHFFFAOYSA-M,,,,,,,,,,,
100.069.761,276-760-4,72672-54-9,"2,2'-methylenebis[4-sec-butyl-6-tert-butylphenol]","2,2'-methylenebis(4-sec-butyl-6-tert-butylphenol)",CCC(C)c1cc(Cc2cc(cc(c2O)C(C)(C)C)C(C)CC)c(O)c(c1)C(C)(C)C,CCC(C)c1cc(Cc2cc(cc(c2O)C(C)(C)C)C(C)CC)c(O)c(c1)C(C)(C)C,"InChI=1/C29H44O2/c1-11-18(3)20-13-22(26(30)24(16-20)28(5,6)7)15-23-14-21(19(4)12-2)17-25(27(23)31)29(8,9)10/h13-14,16-19,30-31H,11-12,15H2,1-10H3",C29H44O2,,,,,,PAMOFRNFPOZAHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.767,276-767-2,72698-36-3,N-(3-carboxy-1-oxopropyl)glycyl-L-prolyl-L-leucylglycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-prolinamide,N-(3-carboxypropanoyl)glycyl-L-prolyl-D-leucylglycyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-prolinamide,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCC(=O)O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)Nc3ccc4C(=CC(=O)Oc4c3)C,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCC(=O)O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)Nc3ccc4C(=CC(=O)Oc4c3)C,"InChI=1/C34H44N6O10/c1-19(2)14-23(38-34(49)25-7-5-13-40(25)28(42)17-35-27(41)10-11-30(44)45)32(47)36-18-29(43)39-12-4-6-24(39)33(48)37-21-8-9-22-20(3)15-31(46)50-26(22)16-21/h8-9,15-16,19,23-25H,4-7,10-14,17-18H2,1-3H3,(H,35,41)(H,36,47)(H,37,48)(H,38,49)(H,44,45)",C34H44N6O10,,,,,,RPHBOWQMQBFJME-SDHOMARFSA-N,,,,,,,,,,,
100.069.770,276-770-9,72705-24-9,Ammonium sodium 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulphonatophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate,"ammonium sodium 2-[4-({1-[(2-methoxy-5-methyl-4-sulfonatophenyl)carbamoyl]-2-oxopropyl}diazenyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate",[NH4+].[Na+].[O-]S(=O)(=O)c1cc(OC)c(cc1C)NC(=O)C(N=Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)C(C)=O,[NH4+].[Na+].[O-]S(=O)(=O)c1cc(OC)c(cc1C)NC(=O)C(N=Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)C(C)=O,"InChI=1/C26H24N4O9S3.H3N.Na/c1-13-5-10-18-23(24(13)42(36,37)38)40-26(28-18)16-6-8-17(9-7-16)29-30-22(15(3)31)25(32)27-19-11-14(2)21(41(33,34)35)12-20(19)39-4;;/h5-12,22H,1-4H3,(H,27,32)(H,33,34,35)(H,36,37,38);1H3;/q;;+1/p-1",C26H24N4O9S3.H3N.Na,,,,,,BPSOMXDZJFRMBW-UHFFFAOYSA-M,,,,,,,,,,,
100.065.841,272-446-6,68844-98-4,"5,9-dimethyl-4,9-decadienal","5,9-dimethyldeca-4,9-dienal",CC(=C)CCCC(C)=CCCC=O,CC(=C)CCCC(C)=CCCC=O,"InChI=1/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h8,10H,1,4-7,9H2,2-3H3",C12H20O,,,,,,ABDPYMYJZBDRKL-UHFFFAOYSA-N,,,,,,,,,,,
100.065.846,272-451-3,68845-14-7,"1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-yl)vinyl]-3H-indolium hydrogen sulphate","1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-yl)vinyl]-3H-indolium hydrogen sulfate",CC1=Nc2ccccc2C1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C.[O-]S(=O)(=O)[O-],CC1=Nc2ccccc2C1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[O-]S(=O)(=O)[O-],"InChI=1/C22H23N2.H2O4S/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-5(2,3)4/h5-14,16H,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C22H23N2.HO4S,,,,,,BDJFQERXSWMBCA-IERUDJENSA-L,,,,,,,,,,,
100.065.850,272-456-0,68845-22-7,"Sodium 1-hydroxy-3,7-dimethyloctanesulphonate","sodium 1-hydroxy-3,7-dimethyloctane-1-sulfonate",[Na+].CC(C)CCCC(C)CC(O)S(=O)(=O)[O-],[Na+].CC(C)CCCC(C)CC(O)S(=O)(=O)[O-],"InChI=1/C10H22O4S.Na/c1-8(2)5-4-6-9(3)7-10(11)15(12,13)14;/h8-11H,4-7H2,1-3H3,(H,12,13,14);/q;+1/p-1",C10H22O4S.Na,,,,,,VEXXEVGEYIMTSB-UHFFFAOYSA-M,,,,,,,,,,,
100.065.860,272-467-0,68845-40-9,"Phosphoric acid, tridecyl ester, compd. with (Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)-9-octadecenamide",tris(decyl) phosphate - N-(2-aminoethyl)-N-(2-hydroxyethyl)octadec-9-enamide (1:1),CCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC.CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCN)CCO,CCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC.CCCCCCCC\C=C/CCCCCCCC(=O)N(CCN)CCO,"InChI=1/C30H63O4P.C22H44N2O2/c1-4-7-10-13-16-19-22-25-28-32-35(31,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24(19-18-23)20-21-25/h4-30H2,1-3H3;9-10,25H,2-8,11-21,23H2,1H3",-,,,,,,JKYORNJMZMKAGV-SVMKZPJVSA-N,,,,,,,,,,,
100.067.609,274-393-4,70209-96-0,"Sodium 1-amino-4-[[3-[[(chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(3-{[(chloroacetyl)amino]methyl}-2,4,6-trimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)CCl,[Na+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1CNC(=O)CCl,"InChI=1/C26H24ClN3O6S.Na/c1-12-8-13(2)24(14(3)17(12)11-29-20(31)10-27)30-18-9-19(37(34,35)36)23(28)22-21(18)25(32)15-6-4-5-7-16(15)26(22)33;/h4-9,30H,10-11,28H2,1-3H3,(H,29,31)(H,34,35,36);/q;+1/p-1",C26H24ClN3O6S.Na,,,,,,UWJYABMDWCUUTF-UHFFFAOYSA-M,,,,,,,,,,,
100.067.610,274-395-5,70209-97-1,Sodium 2-[[2-amino-8-hydroxy-6-[(methylanilino)sulphonyl]-1-naphthyl]azo]-5-(chloroacetamido)benzenesulphonate,sodium 2-({2-amino-8-hydroxy-6-[(2-methylphenyl)sulfamoyl]-1-naphthyl}diazenyl)-5-[(chloroacetyl)amino]benzenesulfonate,[Na+].ClCC(=O)Nc4ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(=O)(=O)Nc3ccccc3C)c(c4)S([O-])(=O)=O,[Na+].ClCC(=O)Nc4ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(=O)(=O)Nc3ccccc3C)c(c4)S([O-])(=O)=O,"InChI=1/C25H22ClN5O7S2.Na/c1-14-4-2-3-5-19(14)31-39(34,35)17-10-15-6-8-18(27)25(24(15)21(32)12-17)30-29-20-9-7-16(28-23(33)13-26)11-22(20)40(36,37)38;/h2-12,31-32H,13,27H2,1H3,(H,28,33)(H,36,37,38);/q;+1/p-1",C25H22ClN5O7S2.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11270,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.610,AKBHFYHWZKSDLH-UHFFFAOYSA-M,,,,,,,,,,,
100.067.612,274-397-6,70209-99-3,"Disodium 1-amino-4-[[4-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)C(=C)Br)cc4S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)C(=C)Br)cc4S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C23H16BrN3O9S2.2Na/c1-10(24)23(30)26-11-6-7-14(16(8-11)37(31,32)33)27-15-9-17(38(34,35)36)20(25)19-18(15)21(28)12-4-2-3-5-13(12)22(19)29;;/h2-9,27H,1,25H2,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C23H16BrN3O9S2.2Na,,,,,,BCENAVMKNRCXMQ-UHFFFAOYSA-L,,,,,,,,,,,
100.067.623,274-408-4,70210-12-7,"1H-Pyrazole-3-carboxylic acid, 5-hydroxy-4-[[5-[[4-[5-hydroxy-3-methyl-4-[[2-sulfo-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]-1H-pyrazol-1-yl]benzoyl]amino]-2-sulfophenyl]azo]-1-(4-sulfophenyl)-, tetrasodium salt","tetrasodium 5-hydroxy-4-{[5-({4-[5-hydroxy-3-methyl-4-({2-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}diazenyl)-1H-pyrazol-1-yl]benzoyl}amino)-2-sulfonatophenyl]diazenyl}-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[Na+].Clc7c(Cl)nc(Cl)nc7Nc6cc(N=Nc1c(O)n(nc1C)c2ccc(cc2)C(=O)Nc5cc(N=Nc4c(nn(c3ccc(cc3)S([O-])(=O)=O)c4O)C([O-])=O)c(cc5)S([O-])(=O)=O)c(cc6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].Clc7c(Cl)nc(Cl)nc7Nc6cc(N=Nc1c(O)n(nc1C)c2ccc(cc2)C(=O)Nc5cc(N=Nc4c(nn(c3ccc(cc3)S([O-])(=O)=O)c4O)C([O-])=O)c(cc5)S([O-])(=O)=O)c(cc6)S([O-])(=O)=O,"InChI=1/C37H25Cl3N12O14S3.4Na/c1-16-28(47-45-23-14-18(4-12-25(23)68(61,62)63)41-32-27(38)31(39)43-37(40)44-32)34(54)51(49-16)20-6-2-17(3-7-20)33(53)42-19-5-13-26(69(64,65)66)24(15-19)46-48-29-30(36(56)57)50-52(35(29)55)21-8-10-22(11-9-21)67(58,59)60;;;;/h2-15,54-55H,1H3,(H,42,53)(H,56,57)(H,41,43,44)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4",C37H25Cl3N12O14S3.4Na,,,,,,WCXQZZXTQJGZCA-UHFFFAOYSA-J,,,,,,,,,,,
100.067.624,274-410-5,70210-13-8,"Trisodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonatonaphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate","trisodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c3cccc(c34)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c3cccc(c34)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C27H22ClN9O9S3.3Na/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33);;;/q;3*+1/p-3",C27H22ClN9O9S3.3Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10125,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.624,QODWDUXKFKJVCQ-UHFFFAOYSA-K,,,,,,,,,,,
100.069.557,276-536-6,72252-43-8,"2-[2-[(4-ethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-{2-[(4-ethoxyphenyl)amino]vinyl}-1,3,3-trimethyl-3H-indolium acetate",CCOc1ccc(N\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],CCOc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],"InChI=1/C21H24N2O.C2H4O2/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-2(3)4/h6-15H,5H2,1-4H3;1H3,(H,3,4)",C21H25N2O.C2H3O2,,,,,,KYHAWQRSSYHRBB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.561,276-540-8,72252-60-9,"Tetrasodium 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]","tetrasodium 2,2'-{(1,4-dioxobut-2-ene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis{5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate}",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc6ccc(N=Nc2ccc(cc2C)NC(=O)C=CC(=O)Nc5ccc(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O)c(C)c5)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc6ccc(N=Nc2ccc(cc2C)NC(=O)C=CC(=O)Nc5ccc(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O)c(C)c5)c(c6)S([O-])(=O)=O,"InChI=1/C42H34N10O14S4.4Na/c1-25-21-29(7-15-35(25)49-51-37-17-9-31(23-39(37)69(61,62)63)47-45-27-3-11-33(12-4-27)67(55,56)57)43-41(53)19-20-42(54)44-30-8-16-36(26(2)22-30)50-52-38-18-10-32(24-40(38)70(64,65)66)48-46-28-5-13-34(14-6-28)68(58,59)60;;;;/h3-24H,1-2H3,(H,43,53)(H,44,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4",C42H34N10O14S4.4Na,,,,,,GDLMSXBTFNDZNS-UHFFFAOYSA-J,,,,,,,,,,,
100.069.564,276-543-4,72258-83-4,"8-(1,1-dimethylethyl)-1-oxaspiro[4.5]decan-2-one",8-tert-butyl-1-oxaspiro[4.5]decan-2-one,CC(C)(C)C1CCC2(CC1)CCC(=O)O2,CC(C)(C)C1CCC2(CC1)CCC(=O)O2,"InChI=1/C13H22O2/c1-12(2,3)10-4-7-13(8-5-10)9-6-11(14)15-13/h10H,4-9H2,1-3H3",C13H22O2,,,,,,KNLQQGJLNMJBQL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.572,276-552-3,72269-51-3,2-ethoxyethyl stearate,2-ethoxyethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCC,"InChI=1/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)25-21-20-24-4-2/h3-21H2,1-2H3",C22H44O3,,,,,,MFEWWQYHAZUIDX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.576,276-557-0,72269-63-7,"2-[4-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]but-2-enylidene]-3-ethyl-2,3-dihydrobenzoxazole-5-sulphonic acid","3-ethyl-2-{4-[3-methyl-5-oxo-1-(4-sulfophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]but-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole-5-sulfonic acid",OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC=CC=C3Oc2ccc(cc2N3CC)S(O)(=O)=O)C4=O,OS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(=CC=CC=C3Oc2ccc(cc2N3CC)S(O)(=O)=O)C4=O,"InChI=1/C23H21N3O8S2/c1-3-25-20-14-18(36(31,32)33)12-13-21(20)34-22(25)7-5-4-6-19-15(2)24-26(23(19)27)16-8-10-17(11-9-16)35(28,29)30/h4-14H,3H2,1-2H3,(H,28,29,30)(H,31,32,33)",C23H21N3O8S2,,,,,,WSJGSBXLYGLAKX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.376,274-137-1,69833-17-6,2-(p-aminophenyl)-2-phenylacetonitrile monohydrochloride,(4-aminophenyl)(phenyl)acetonitrile hydrochloride,Cl.Nc1ccc(cc1)C(C#N)c2ccccc2,Cl.Nc1ccc(cc1)C(C#N)c2ccccc2,"InChI=1/C14H12N2.ClH/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12;/h1-9,14H,16H2;1H",C14H12N2.ClH,,,,,,UMGPKQJLGUSAQX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.383,274-145-5,69834-23-7,Diammonium dodecyl-4-(4-sulphonatophenoxy)benzenesulphonate,diammonium 2-dodecyl-4-(4-sulfonatophenoxy)benzenesulfonate,[NH4+].[NH4+].CCCCCCCCCCCCc1cc(Oc2ccc(cc2)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-],[NH4+].[NH4+].CCCCCCCCCCCCc1cc(Oc2ccc(cc2)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-],"InChI=1/C24H34O7S2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-20-19-22(15-18-24(20)33(28,29)30)31-21-13-16-23(17-14-21)32(25,26)27;;/h13-19H,2-12H2,1H3,(H,25,26,27)(H,28,29,30);2*1H3",C24H34O7S2.2H3N,,,,,,BDEGCBYFVTXJKF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.385,274-147-6,69844-34-4,"2-chloro-3-[(2-hydroxyethyl)amino]-1,4-naphthoquinone","2-chloro-3-[(2-hydroxyethyl)amino]-1,4-naphthoquinone",OCCNC1=C(Cl)C(=O)c2ccccc2C1=O,OCCNC1=C(Cl)C(=O)c2ccccc2C1=O,"InChI=1/C12H10ClNO3/c13-9-10(14-5-6-15)12(17)8-4-2-1-3-7(8)11(9)16/h1-4,14-15H,5-6H2",C12H10ClNO3,,,,,,MNAMDFQYYYJMKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.388,274-150-2,69847-38-7,Butyl 4-hydroxyvalerate,butyl 4-hydroxypentanoate,CCCCOC(=O)CCC(C)O,CCCCOC(=O)CCC(C)O,"InChI=1/C9H18O3/c1-3-4-7-12-9(11)6-5-8(2)10/h8,10H,3-7H2,1-2H3",C9H18O3,,,,,,PLFNUXAEBDNRIT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.390,274-152-3,69847-45-6,Disodium L-tyrosinate,disodium L-tyrosinate,[Na+].[Na+].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc2ccc(O)cc2)C(=O)[O-],[Na+].[Na+].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc2ccc(O)cc2)C(=O)[O-],"InChI=1/2C9H11NO3.2Na/c2*10-8(9(12)13)5-6-1-3-7(11)4-2-6;;/h2*1-4,8,11H,5,10H2,(H,12,13);;/q;;2*+1/p-2",C9H11NO3.2Na,,,,,,LLWMGDGDBQDPSI-OWJCAWTQSA-L,,,,,,,,,,,
100.067.391,274-153-9,69847-46-7,"Dipotassium 14-(p-tolyloxy)-3,6,9,12-tetraoxatetradecyl phosphate","dipotassium 14-(4-methylphenoxy)-3,6,9,12-tetraoxatetradec-1-yl phosphate",[K+].[K+].Cc1ccc(OCCOCCOCCOCCOCCOP(=O)([O-])[O-])cc1,[K+].[K+].Cc1ccc(OCCOCCOCCOCCOCCOP(=O)([O-])[O-])cc1,"InChI=1/C17H29O9P.2K/c1-16-2-4-17(5-3-16)25-14-12-23-10-8-21-6-7-22-9-11-24-13-15-26-27(18,19)20;;/h2-5H,6-15H2,1H3,(H2,18,19,20);;/q;2*+1/p-2",C17H29O9P.2K,,,,,,BFCKMASTLWXQBI-UHFFFAOYSA-L,,,,,,,,,,,
100.073.488,280-859-8,83803-42-3,Octyl 2-methylisocrotonate,octyl 2-methylbut-2-enoate,CCCCCCCCOC(=O)\\C(=C/C)\\C,CCCCCCCCOC(=O)\C(=C/C)\C,"InChI=1/C13H24O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5H,4,6-11H2,1-3H3",C13H24O2,,,,,,JNHPLASQNDHBJH-XGICHPGQSA-N,,,,,,,,,,,
100.073.492,280-864-5,83803-46-7,"Disodium 4,4'-[(1,8-dihydroxy-9H-carbazole-2,7-diyl)bis(azo)]bis(benzenesulphonate)","disodium 4,4'-[(1,8-dihydroxy-9H-carbazole-2,7-diyl)didiazene-2,1-diyl]dibenzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5ccc4c(nc3c4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3O)c5O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5ccc4c(nc3c4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3O)c5O,"InChI=1/C24H17N5O8S2.2Na/c30-23-19(28-26-13-1-5-15(6-2-13)38(32,33)34)11-9-17-18-10-12-20(24(31)22(18)25-21(17)23)29-27-14-3-7-16(8-4-14)39(35,36)37;;/h1-12,25,30-31H,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C24H17N5O8S2.2Na,,,,,,RCBWXGHDRQMMBN-UHFFFAOYSA-L,,,,,,,,,,,
100.075.125,282-664-3,84282-18-8,"N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-valine, compound with piperidine (1:1)",N-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-valine - piperidine (1:1),CC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,CC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3,"InChI=1/C17H22N2O4S.C5H11N/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4;1-2-4-6-5-3-1/h5-11,16,18H,1-4H3,(H,20,21);6H,1-5H2",C17H22N2O4S.C5H11N,,,,,,OSSMYKCPNFDDJX-NTISSMGPSA-N,,,,,,,,,,,
100.075.129,282-669-0,84282-22-4,"2,4-dimethyl-6-(1-methylbutyl)benzene-1,3-diamine","2,4-dimethyl-6-(1-methylbutyl)benzene-1,3-diamine",CCCC(C)c1cc(C)c(N)c(C)c1N,CCCC(C)c1cc(C)c(N)c(C)c1N,"InChI=1/C13H22N2/c1-5-6-8(2)11-7-9(3)12(14)10(4)13(11)15/h7-8H,5-6,14-15H2,1-4H3",C13H22N2,,,,,,HPRFHIODVYDJFL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.132,282-672-7,84282-25-7,"Lauric acid, compound with dibutylamine (1:1)",dodecanoic acid - N-butylbutan-1-amine (1:1),CCCCCCCCCCCC(=O)O.CCCCNCCCC,CCCCCCCCCCCC(=O)O.CCCCNCCCC,"InChI=1/C12H24O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-9-8-6-4-2/h2-11H2,1H3,(H,13,14);9H,3-8H2,1-2H3",C12H24O2.C8H19N,,,,,,UENOZSPHFYUZSC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.144,282-685-8,84282-40-6,2'-(4-bromobenzoyl)-1-naphthohydrazide,N'-(4-bromobenzoyl)-1-naphthohydrazide,Brc1ccc(cc1)C(=O)NNC(=O)c2cccc3ccccc23,Brc1ccc(cc1)C(=O)NNC(=O)c2cccc3ccccc23,"InChI=1/C18H13BrN2O2/c19-14-10-8-13(9-11-14)17(22)20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,20,22)(H,21,23)",C18H13BrN2O2,,,,,,PXVSILKUOOKWFV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.145,282-686-3,84282-41-7,2'-(3-bromobenzoyl)-2-naphthohydrazide,N'-(3-bromobenzoyl)-2-naphthohydrazide,Brc1cccc(c1)C(=O)NNC(=O)c2ccc3ccccc3c2,Brc1cccc(c1)C(=O)NNC(=O)c2ccc3ccccc3c2,"InChI=1/C18H13BrN2O2/c19-16-7-3-6-14(11-16)17(22)20-21-18(23)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,20,22)(H,21,23)",C18H13BrN2O2,,,,,,SREIGOZTASQVSC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.149,282-691-0,84282-46-2,"6-ethyl-3-methyloct-2-en-4-yne-1,6-diol","6-ethyl-3-methyloct-2-en-4-yne-1,6-diol",CCC(O)(C#CC(C)=CCO)CC,CCC(O)(C#CC(C)=CCO)CC,"InChI=1/C11H18O2/c1-4-11(13,5-2)8-6-10(3)7-9-12/h7,12-13H,4-5,9H2,1-3H3",C11H18O2,,,,,,OVHYGGOAWKXJLR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.898,281-312-6,83918-76-7,"1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-yl acetate","1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-yl acetate",CC(=O)OC1(CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1)c4ccc(Cl)c(c4)C(F)(F)F,CC(=O)OC1(CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1)c4ccc(Cl)c(c4)C(F)(F)F,"InChI=1/C30H29ClF5NO2/c1-20(38)39-29(23-8-13-28(31)27(19-23)30(34,35)36)14-17-37(18-15-29)16-2-3-26(21-4-9-24(32)10-5-21)22-6-11-25(33)12-7-22/h4-13,19,26H,2-3,14-18H2,1H3",C28H27ClF5NO.C2H4O2,,,,,,AVCGPTONQJCRMU-UHFFFAOYSA-N,,,,,,,,,,,
100.073.908,281-323-6,83929-27-5,Sodium [2-[2-(4-nitrophenoxy)ethoxy]ethyl] phosphonate,sodium 2-[2-(4-nitrophenoxy)ethoxy]ethyl phosphonate,[Na+].[O-][N+](=O)c1ccc(OCCOCCOP(=O)[O-])cc1,[Na+].[O-][N+](=O)c1ccc(OCCOCCOP(=O)[O-])cc1,"InChI=1/C10H14NO7P.Na/c12-11(13)9-1-3-10(4-2-9)17-7-5-16-6-8-18-19(14)15;/h1-4,19H,5-8H2,(H,14,15);/q;+1/p-1",C19H33O5P.Na,,,,,,OTZSUALHYCWHPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.073.909,281-324-1,83929-28-6,"Octyl hydrogen phosphonate, compound with guanidine (1:1)",octyl hydrogen phosphonate - guanidine (1:1),CCCCCCCCOP(=O)O.NC(=N)N,CCCCCCCCOP(=O)O.NC(=N)N,"InChI=1/C8H19O3P.CH5N3/c1-2-3-4-5-6-7-8-11-12(9)10;2-1(3)4/h12H,2-8H2,1H3,(H,9,10);(H5,2,3,4)",C8H19O3P.CH5N3,,,,,,MMMSRXJDUXWQGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.914,281-329-9,83929-34-4,"2,2-bis(4-chlorophenyl)tetrahydrofuran","2,2-bis(4-chlorophenyl)tetrahydrofuran",Clc1ccc(cc1)C2(CCCO2)c3ccc(Cl)cc3,Clc1ccc(cc1)C2(CCCO2)c3ccc(Cl)cc3,"InChI=1/C16H14Cl2O/c17-14-6-2-12(3-7-14)16(10-1-11-19-16)13-4-8-15(18)9-5-13/h2-9H,1,10-11H2",C16H14Cl2O,,,,,,NCPYPQCXFBYNSL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.915,281-330-4,83929-35-5,"Ethyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate","ethyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate",CCOC(=O)N1CCC2(CC1)N(CNC2=O)c3ccccc3,CCOC(=O)N1CCC2(CC1)N(CNC2=O)c3ccccc3,"InChI=1/C16H21N3O3/c1-2-22-15(21)18-10-8-16(9-11-18)14(20)17-12-19(16)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,20)",C16H21N3O3,,,,,,ZKXWZAXKNCJMQA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.310,274-064-5,69658-24-8,"Sodium 4-[[3-(acetylamino)-4-methylphenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 4-[(3-acetamido-4-methylphenyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CC(=O)Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])ccc1C,[Na+].CC(=O)Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])ccc1C,"InChI=1/C23H19N3O6S.Na/c1-11-7-8-13(9-16(11)25-12(2)27)26-17-10-18(33(30,31)32)21(24)20-19(17)22(28)14-5-3-4-6-15(14)23(20)29;/h3-10,26H,24H2,1-2H3,(H,25,27)(H,30,31,32);/q;+1/p-1",C23H19N3O6S.Na,,,,,,RHJUYISWNUOBLV-UHFFFAOYSA-M,,,,,,,,,,,
100.067.332,274-088-6,69704-26-3,4-propoxy-2-butyn-1-ol,4-propoxybut-2-yn-1-ol,CCCOCC#CCO,CCCOCC#CCO,"InChI=1/C7H12O2/c1-2-6-9-7-4-3-5-8/h8H,2,5-7H2,1H3",C7H12O2,,,,,,HCWMOGDFRDCBQN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.334,274-090-7,69705-27-7,4-(acetylamino)phenyl 3-methyl-o-acetylsalicylate,4-acetamidophenyl 2-acetoxy-3-methylbenzoate,O=C(C)Oc1c(cccc1C)C(=O)Oc2ccc(NC(C)=O)cc2,O=C(C)Oc1c(cccc1C)C(=O)Oc2ccc(NC(C)=O)cc2,"InChI=1/C18H17NO5/c1-11-5-4-6-16(17(11)23-13(3)21)18(22)24-15-9-7-14(8-10-15)19-12(2)20/h4-10H,1-3H3,(H,19,20)",C18H17NO5,,,,,,REKMYSBXOKPKAW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.335,274-091-2,69708-38-9,4'-(isopropylthio)propiophenone,1-[4-(isopropylsulfanyl)phenyl]propan-1-one,CCC(=O)c1ccc(SC(C)C)cc1,CCC(=O)c1ccc(SC(C)C)cc1,"InChI=1/C12H16OS/c1-4-12(13)10-5-7-11(8-6-10)14-9(2)3/h5-9H,4H2,1-3H3",C12H16OS,,,,,,VCQWZCYOFXBZGB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.337,274-093-3,69712-56-7,Cefotetan,"7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C,CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C,"InChI=1/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)",C17H17N7O8S4,,,,,,SRZNHPXWXCNNDU-RHBCBLIFSA-N,,,,,,,,,,,
100.067.344,274-102-0,69739-34-0,tert-butyldimethylsilyl trifluoromethanesulphonate,tert-butyl(dimethyl)silyl trifluoromethanesulfonate,CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F,CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F,"InChI=1/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3",C7H15F3O3SSi,,,,,,WLLIXJBWWFGEHT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.468,276-437-8,72175-33-8,Methyl 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyloxirane-2-carboxylate,methyl 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyloxirane-2-carboxylate,COC(=O)C1OC1(C)C2CC3CC2C=C3,COC(=O)C1OC1(C)C2CC3CC2C=C3,"InChI=1/C12H16O3/c1-12(10(15-12)11(13)14-2)9-6-7-3-4-8(9)5-7/h3-4,7-10H,5-6H2,1-2H3",C12H16O3,,,,,,PDYPVRXNANFCNW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.476,276-446-7,72187-20-3,"Disodium 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracenedisulphonate","disodium 1-amino-4-(cyclohexylamino)-9,10-dioxo-1,2,9,10-tetrahydroanthracene-1,2-disulfonate",[Na+].[Na+].NC1(C(C=C(NC2CCCCC2)C3=C1C(=O)c4ccccc4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].NC1(C(C=C(NC2CCCCC2)C3=C1C(=O)c4ccccc4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H22N2O8S2.2Na/c21-20(32(28,29)30)15(31(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(20)19(24)13-9-5-4-8-12(13)18(16)23;;/h4-5,8-11,15,22H,1-3,6-7,21H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C20H20N2O8S2.2Na,,,,,,YSNHCTJLQKUBFI-UHFFFAOYSA-L,,,,,,,,,,,
100.069.479,276-449-3,72187-36-1,"Trisodium 4,5-dihydro-5-oxo-4-[[4-[[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium 5-oxo-4-({4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)carbamoyl]phenyl}diazenyl)-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)NC(=O)c2ccc(cc2)N=NC4\\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)NC(=O)c2ccc(cc2)N=NC4\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O,"InChI=1/C25H21N5O13S3.3Na/c31-23(26-17-2-1-3-20(14-17)44(35,36)13-12-43-46(40,41)42)15-4-6-16(7-5-15)27-28-21-22(25(33)34)29-30(24(21)32)18-8-10-19(11-9-18)45(37,38)39;;;/h1-11,14,21H,12-13H2,(H,26,31)(H,33,34)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3",C25H21N5O13S3.3Na,,,,,,IRHIDTCUFKGJPA-UHFFFAOYSA-K,,,,,,,,,,,
100.069.482,276-453-5,72198-15-3,3-chloro-4-hydroxymandelic acid,(3-chloro-4-hydroxyphenyl)(hydroxy)acetic acid,OC(C(=O)O)c1ccc(O)c(Cl)c1,OC(C(=O)O)c1ccc(O)c(Cl)c1,"InChI=1/C8H7ClO4/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7,10-11H,(H,12,13)",C8H7ClO4,,,,,,VDBWQCRJTMKEMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.484,276-455-6,72200-76-1,"[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium hydrogen maleate","1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium hydrogen but-2-enedioate",[NH3+]C(CO)(CO)CO.[O-]C(=O)\\C=C/C(=O)[O-],[NH3+]C(CO)(CO)CO.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H11NO3.C4H4O4/c5-4(1-6,2-7)3-8;5-3(6)1-2-4(7)8/h6-8H,1-3,5H2;1-2H,(H,5,6)(H,7,8)/p-1",C4H11NO3.C4H4O4,,,,,,HTMWOUBCEZXSHN-BTJKTKAUSA-M,,,,,,,,,,,
100.065.085,271-615-1,68592-11-0,"2-chloro-5-(1-chloro-1,3-dihydro-3-oxo-1-isobenzofuranyl)benzenesulphonyl chloride","2-chloro-5-(1-chloro-3-oxo-1,3-dihydro-2-benzofuran-1-yl)benzenesulfonyl chloride",Clc1ccc(cc1S(=O)(=O)Cl)C2(Cl)OC(=O)c3ccccc23,Clc1ccc(cc1S(=O)(=O)Cl)C2(Cl)OC(=O)c3ccccc23,"InChI=1/C14H7Cl3O4S/c15-11-6-5-8(7-12(11)22(17,19)20)14(16)10-4-2-1-3-9(10)13(18)21-14/h1-7H",C14H7Cl3O4S,,,,,,OGMWYNNFMITDOO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.580,269-959-2,68391-51-5,3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]amino]propiononitrile,3-({4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}amino)propanenitrile,Clc2cc(ccc2N=Nc1ccc(NCCC#N)cc1C)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(NCCC#N)cc1C)[N+]([O-])=O,"InChI=1/C16H14ClN5O2/c1-11-9-12(19-8-2-7-18)3-5-15(11)20-21-16-6-4-13(22(23)24)10-14(16)17/h3-6,9-10,19H,2,8H2,1H3",C16H14ClN5O2,,,,,,BLQXHXLSDYOZLF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.581,269-960-8,68391-52-6,"1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-(diallylamino)propan-2-ol]","1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis[3-(diallylamino)propan-2-ol]",CC(C)(c1ccc(OCC(O)CN(CC=C)CC=C)cc1)c2ccc(OCC(O)CN(CC=C)CC=C)cc2,CC(C)(c1ccc(OCC(O)CN(CC=C)CC=C)cc1)c2ccc(OCC(O)CN(CC=C)CC=C)cc2,"InChI=1/C33H46N2O4/c1-7-19-34(20-8-2)23-29(36)25-38-31-15-11-27(12-16-31)33(5,6)28-13-17-32(18-14-28)39-26-30(37)24-35(21-9-3)22-10-4/h7-18,29-30,36-37H,1-4,19-26H2,5-6H3",C33H46N2O4,,,,,,QXYMVIAZTSDOLA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.592,269-972-3,68398-21-0,Manganese bis(dimethylhexanoate),"manganese(2+) bis(2,2-dimethylhexanoate)",[Mn++].CCCCC(C)(C)C([O-])=O.CCCCC(C)(C)C([O-])=O,[Mn++].CCCCC(C)(C)C([O-])=O.CCCCC(C)(C)C([O-])=O,"InChI=1/2C8H16O2.Mn/c2*1-4-5-6-8(2,3)7(9)10;/h2*4-6H2,1-3H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Mn,,,,,,KEALCUZTPRMWSR-UHFFFAOYSA-L,,,,,,,,,,,
100.063.604,269-985-4,68399-74-6,"Barium 3-hydroxy-4-(naphthylazo)naphthalene-2,7-disulphonate","barium 3-hydroxy-4-(1-naphthyldiazenyl)naphthalene-2,7-disulfonate",[Ba+2].[O-]S(=O)(=O)c4cc1cc(ccc1c(N=Nc3cccc2ccccc23)c4O)S([O-])(=O)=O,[Ba+2].[O-]S(=O)(=O)c4cc1cc(ccc1c(N=Nc3cccc2ccccc23)c4O)S([O-])(=O)=O,"InChI=1/C20H14N2O7S2.Ba/c23-20-18(31(27,28)29)11-13-10-14(30(24,25)26)8-9-16(13)19(20)22-21-17-7-3-5-12-4-1-2-6-15(12)17;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2",C20H14N2O7S2.Ba,,,,,,HZGFWBIESVONTB-UHFFFAOYSA-L,,,,,,,,,,,
100.063.612,269-994-3,68399-87-1,"1-[5-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-methyl-3-sulphophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid","1-(5-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-2-methyl-3-sulfophenyl)-5-oxo-4-[(2-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid",Clc1cc(c(Cl)nn1)C(=O)Nc2cc(c(C)c(c2)N4/N=C(\\C(N=Nc3ccccc3S(O)(=O)=O)C4=O)C(O)=O)S(O)(=O)=O,Clc1cc(c(Cl)nn1)C(=O)Nc2cc(c(C)c(c2)N4/N=C(\C(N=Nc3ccccc3S(O)(=O)=O)C4=O)C(O)=O)S(O)(=O)=O,"InChI=1/C22H15Cl2N7O10S2/c1-9-13(6-10(7-15(9)43(39,40)41)25-20(32)11-8-16(23)27-29-19(11)24)31-21(33)17(18(30-31)22(34)35)28-26-12-4-2-3-5-14(12)42(36,37)38/h2-8,17H,1H3,(H,25,32)(H,34,35)(H,36,37,38)(H,39,40,41)",C22H15Cl2N7O10S2,,,,,,ZRDUNOGZJOMOGI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.082,270-512-9,68443-35-6,4-(1-methyl-1-phenylethyl)phenyl methacrylate,4-(1-methyl-1-phenylethyl)phenyl methacrylate,CC(=C)C(=O)Oc1ccc(cc1)C(C)(C)c2ccccc2,CC(=C)C(=O)Oc1ccc(cc1)C(C)(C)c2ccccc2,"InChI=1/C19H20O2/c1-14(2)18(20)21-17-12-10-16(11-13-17)19(3,4)15-8-6-5-7-9-15/h5-13H,1H2,2-4H3",C19H20O2,,,,,,PDLZOMRBHUBXSF-UHFFFAOYSA-N,,,,,,,,,,,
100.064.083,270-513-4,68443-36-7,1-(allyloxy)-4-(1-methyl-1-phenylethyl)benzene,1-(allyloxy)-4-(1-methyl-1-phenylethyl)benzene,CC(C)(c1ccccc1)c2ccc(OCC=C)cc2,CC(C)(c1ccccc1)c2ccc(OCC=C)cc2,"InChI=1/C18H20O/c1-4-14-19-17-12-10-16(11-13-17)18(2,3)15-8-6-5-7-9-15/h4-13H,1,14H2,2-3H3",C18H20O,,,,,,AFERVIBWARYXAW-UHFFFAOYSA-N,,,,,,,,,,,
100.065.363,271-921-5,68630-88-6,Sodium 4-(2-ethylhexyl) 1-octadecyl 2-sulphonatosuccinate,"sodium 4-[(2-ethylhexyl)oxy]-1-(octadecyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCC(CC)CCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCC(CC)CCCC)S(=O)(=O)[O-],"InChI=1/C30H58O7S.Na/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36-30(32)28(38(33,34)35)25-29(31)37-26-27(6-3)23-8-5-2;/h27-28H,4-26H2,1-3H3,(H,33,34,35);/q;+1/p-1",C30H58O7S.Na,,,,,,NFZMKXDVVRXKIM-UHFFFAOYSA-M,,,,,,,,,,,
100.065.367,271-925-7,68630-92-2,"Disodium 3-[2-(2-carboxylatoethoxy)ethyl]-2-heptyl-2,3-dihydro-1H-imidazole-1-propionate","disodium 3-{3-[2-(2-carboxylatoethoxy)ethyl]-2-heptyl-2,3-dihydro-1H-imidazol-1-yl}propanoate",[Na+].[Na+].CCCCCCCC1N(CCOCCC(=O)[O-])C=CN1CCC(=O)[O-],[Na+].[Na+].CCCCCCCC1N(CCOCCC(=O)[O-])C=CN1CCC(=O)[O-],"InChI=1/C18H32N2O5.2Na/c1-2-3-4-5-6-7-16-19(10-8-17(21)22)11-12-20(16)13-15-25-14-9-18(23)24;;/h11-12,16H,2-10,13-15H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2",C18H32N2O5.2Na,,,,,,PXFFVHGGZGZKRM-UHFFFAOYSA-L,,,,,,,,,,,
100.069.775,276-776-1,72710-79-3,"Cinnamic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)",3-phenylacrylic acid - 2-amino-2-methylpropan-1-ol (1:1),CC(C)(N)CO.OC(=O)\\C=C\\c1ccccc1,CC(C)(N)CO.OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.C4H11NO/c10-9(11)7-6-8-4-2-1-3-5-8;1-4(2,5)3-6/h1-7H,(H,10,11);6H,3,5H2,1-2H3",C9H8O2.C4H11NO,,,,,,DKVVOPMNXWPUGL-UHDJGPCESA-N,,,,,,,,,,,
100.069.778,276-779-8,72716-71-3,"5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one","5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)pyrimidin-4(1H)-one",[O-][N+](=O)NC1=NC(=O)C(=CN1)Cc2ccc3OCOc3c2,[O-][N+](=O)NC1=NC(=O)C(=CN1)Cc2ccc3OCOc3c2,"InChI=1/C12H10N4O5/c17-11-8(5-13-12(14-11)15-16(18)19)3-7-1-2-9-10(4-7)21-6-20-9/h1-2,4-5H,3,6H2,(H2,13,14,15,17)",C12H10N4O5,,,,,,CYDVFWXIUURXJS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.394,274-157-0,69851-61-2,"N,N'-propane-1,3-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide]","N,N'-propane-1,3-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]",CC(C)(C)c1cc(CCC(=O)NCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(CCC(=O)NCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,"InChI=1/C37H58N2O4/c1-34(2,3)26-20-24(21-27(32(26)42)35(4,5)6)14-16-30(40)38-18-13-19-39-31(41)17-15-25-22-28(36(7,8)9)33(43)29(23-25)37(10,11)12/h20-23,42-43H,13-19H2,1-12H3,(H,38,40)(H,39,41)",C37H58N2O4,,,,,,KJEKRODBOPOEGG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.408,274-172-2,69868-13-9,N-(o-tolyl)-N'-phenylethylenediamine,"N-(2-methylphenyl)-N'-phenylethane-1,2-diamine",Cc1ccccc1NCCNc2ccccc2,Cc1ccccc1NCCNc2ccccc2,"InChI=1/C15H18N2/c1-13-7-5-6-10-15(13)17-12-11-16-14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3",C15H18N2,,,,,,ZXCVPHWNWZMCFB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.141,276-078-7,71849-93-9,Octyl 3-mercaptopropionate,octyl 3-sulfanylpropanoate,CCCCCCCCOC(=O)CCS,CCCCCCCCOC(=O)CCS,"InChI=1/C11H22O2S/c1-2-3-4-5-6-7-9-13-11(12)8-10-14/h14H,2-10H2,1H3",C11H22O2S,,,,,,LWNSNYBMYBWJDN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.148,276-086-0,71850-03-8,Bis(2-methoxyethyl) sebacate,bis(2-methoxyethyl) sebacate,COCCOC(=O)CCCCCCCCC(=O)OCCOC,COCCOC(=O)CCCCCCCCC(=O)OCCOC,"InChI=1/C16H30O6/c1-19-11-13-21-15(17)9-7-5-3-4-6-8-10-16(18)22-14-12-20-2/h3-14H2,1-2H3",C16H30O6,,,,,,JGDURTCBAJOZDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.150,276-088-1,71850-05-0,Piperazine hydroiodide,piperazine hydroiodide,I.C1CNCCN1,I.C1CNCCN1,"InChI=1/C4H10N2.HI/c1-2-6-4-3-5-1;/h5-6H,1-4H2;1H",C4H10N2.xHI,,,,,,MCEUCOMSCDMLPY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.159,276-098-6,71850-80-1,3-ethyl-2-methylnon-2-enoic acid,3-ethyl-2-methylnon-2-enoic acid,OC(=O)C(C)=C(CCCCCC)CC,OC(=O)C(C)=C(CCCCCC)CC,"InChI=1/C12H22O2/c1-4-6-7-8-9-11(5-2)10(3)12(13)14/h4-9H2,1-3H3,(H,13,14)",C12H22O2,,,,,,ZVAYQRYFPRUYPL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.166,276-105-2,71872-96-3,"4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid","[5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-3-yl]acetic acid",OC(=O)CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,OC(=O)CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C11H10N2O6S/c14-10-5-7(6-11(15)16)12-13(10)8-1-3-9(4-2-8)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)",C11H10N2O6S,,,,,,BQPLZHXIWFVFRH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.170,276-109-4,71873-00-2,Dinitronaphthalenesulphonic acid,"2,3-dinitronaphthalene-1-sulfonic acid",OS(=O)(=O)c1c(c(cc2ccccc12)[N+](=O)[O-])[N+](=O)[O-],OS(=O)(=O)c1c(c(cc2ccccc12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H6N2O7S/c13-11(14)8-5-6-3-1-2-4-7(6)10(20(17,18)19)9(8)12(15)16/h1-5H,(H,17,18,19)",C10H6N2O7S,,,,,,NMMHJWYKFNBEFR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.175,276-115-7,71873-39-7,"Sodium 6-amino-5-[[4-chloro-3-[[(2,4-dimethylphenyl)amino]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate","sodium 6-amino-5-({4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].O=S(=O)(Nc1ccc(C)cc1C)c2cc(ccc2Cl)N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O,[Na+].O=S(=O)(Nc1ccc(C)cc1C)c2cc(ccc2Cl)N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O,"InChI=1/C24H21ClN4O6S2.Na/c1-13-3-8-20(14(2)9-13)29-36(31,32)22-11-16(5-6-18(22)25)27-28-24-19(26)7-4-15-10-17(37(33,34)35)12-21(30)23(15)24;/h3-12,29-30H,26H2,1-2H3,(H,33,34,35);/q;+1/p-1",C24H21ClN4O6S2.Na,,,,,,VFDWNJDYRUTEKZ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.177,276-117-8,71873-41-1,Sodium 6-amino-4-hydroxy-5-[[2-[(p-tolyl)sulphonyl]phenyl]azo]naphthalene-2-sulphonate,sodium 6-amino-4-hydroxy-5-({2-[(4-methylphenyl)sulfonyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].Cc1ccc(cc1)S(=O)(=O)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,[Na+].Cc1ccc(cc1)S(=O)(=O)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,"InChI=1/C23H19N3O6S2.Na/c1-14-6-9-16(10-7-14)33(28,29)21-5-3-2-4-19(21)25-26-23-18(24)11-8-15-12-17(34(30,31)32)13-20(27)22(15)23;/h2-13,27H,24H2,1H3,(H,30,31,32);/q;+1/p-1",C23H19N3O6S2.Na,,,,,,XFOWVAKPWJFSJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.587,276-569-6,72276-09-6,"Ethyl 4,7-octadienoate","ethyl octa-4,7-dienoate",CCOC(=O)CCC=CCC=C,CCOC(=O)CCC=CCC=C,"InChI=1/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,6-7H,1,4-5,8-9H2,2H3",C10H16O2,,,,,,LNOWXPKCCJROHI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.588,276-570-1,72278-52-5,Methyl 2-phenoxyisobutyrate,methyl 2-methyl-2-phenoxypropanoate,COC(=O)C(C)(C)Oc1ccccc1,COC(=O)C(C)(C)Oc1ccccc1,"InChI=1/C11H14O3/c1-11(2,10(12)13-3)14-9-7-5-4-6-8-9/h4-8H,1-3H3",C11H14O3,,,,,,UAQIYYDCUSJYRL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.592,276-574-3,72297-49-5,N-(2-carboxyethyl)-N-(1-oxooctyl)-ß-alanine,"3,3'-(octanoylimino)dipropanoic acid (non-preferred name)",CCCCCCCC(=O)N(CCC(=O)O)CCC(=O)O,CCCCCCCC(=O)N(CCC(=O)O)CCC(=O)O,"InChI=1/C14H25NO5/c1-2-3-4-5-6-7-12(16)15(10-8-13(17)18)11-9-14(19)20/h2-11H2,1H3,(H,17,18)(H,19,20)",C14H25NO5,,,,,,VDMVVNIBTYGBKL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.919,281-335-1,83929-39-9,"cis-4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylthio]aniline dihydrochloride","4-({[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)aniline dihydrochloride",Cl.Cl.Nc1ccc(SCC2COC(Cn3ccnc3)(O2)c4ccc(Cl)cc4Cl)cc1,Cl.Cl.Nc1ccc(SCC2COC(Cn3ccnc3)(O2)c4ccc(Cl)cc4Cl)cc1,"InChI=1/C20H19Cl2N3O2S.2ClH/c21-14-1-6-18(19(22)9-14)20(12-25-8-7-24-13-25)26-10-16(27-20)11-28-17-4-2-15(23)3-5-17;;/h1-9,13,16H,10-12,23H2;2*1H",C20H19Cl2N3O2S.2ClH,,,,,,MTFNUOQPDZTDND-UHFFFAOYSA-N,,,,,,,,,,,
100.073.921,281-338-8,83929-42-4,"3-ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate","2-[3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-5-methylbenzenesulfonic acid",CCOC(=O)C1=NN(C(=O)C1)c2ccc(C)cc2S(=O)(=O)O,CCOC(=O)C1=NN(C(=O)C1)c2ccc(C)cc2S(=O)(=O)O,"InChI=1/C13H14N2O6S/c1-3-21-13(17)9-7-12(16)15(14-9)10-5-4-8(2)6-11(10)22(18,19)20/h4-6H,3,7H2,1-2H3,(H,18,19,20)",C13H14N2O6S,,,,,,FYBOEGLGOBUULR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.922,281-339-3,83929-47-9,"Methyl 4-[[(2,5-dichlorophenyl)amino]carbonyl]-2-nitrobenzoate","methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-nitrobenzoate",COC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)Nc2cc(Cl)ccc2Cl,COC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)Nc2cc(Cl)ccc2Cl,"InChI=1/C15H10Cl2N2O5/c1-24-15(21)10-4-2-8(6-13(10)19(22)23)14(20)18-12-7-9(16)3-5-11(12)17/h2-7H,1H3,(H,18,20)",C15H10Cl2N2O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10413,https://echa.europa.eu/substance-information/-/substanceinfo/100.073.922,BVBSCSYCFCDVEU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.374,282-937-7,84473-82-5,"2-butyltetrahydro-4,6-dimethyl-2H-pyran-4-ol","2-butyl-4,6-dimethyltetrahydro-2H-pyran-4-ol",CCCCC1CC(C)(O)CC(C)O1,CCCCC1CC(C)(O)CC(C)O1,"InChI=1/C11H22O2/c1-4-5-6-10-8-11(3,12)7-9(2)13-10/h9-10,12H,4-8H2,1-3H3",C11H22O2,,,,,,GLZDYSFULFXMRT-UHFFFAOYSA-N,,,,,,,,,,,
100.076.877,284-594-9,84930-14-3,"Phosphoric acid, octadecyl ester, compd. with 2,2'-iminobis[ethanol]","octadecyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C18H39O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;6-3-1-5-2-4-7/h2-18H2,1H3,(H2,19,20,21);5-7H,1-4H2",-,,,,,,IAOSACPBECWNRX-UHFFFAOYSA-N,,,,,,,,,,,
100.076.885,284-604-1,84946-02-1,"1,3,5-triazine-2,4,6(1H,3H,5H)-trione compound with 1,3,5-triazine-2,4,6(1H,3H,5H)-trione trihydrazone (1:1)","1,3,5-triazinane-2,4,6-trione - 2,4,6-tris(hydrazono)-1,3,5-triazinane (1:1)",NN=C1NC(=N\\N)/NC(=NN)N1.O=C1NC(=O)NC(=O)N1,NN=C1NC(=N\N)/NC(=NN)N1.O=C1NC(=O)NC(=O)N1,"InChI=1/C3H9N9.C3H3N3O3/c4-10-1-7-2(11-5)9-3(8-1)12-6;7-1-4-2(8)6-3(9)5-1/h4-6H2,(H3,7,8,9,10,11,12);(H3,4,5,6,7,8,9)",C3H9N9.C3H3N3O3,,,,,,XCWVTLZSOWPVGC-UHFFFAOYSA-N,,,,,,,,,,,
100.076.892,284-612-5,84946-09-8,"(8a,9R)-10,11-dihydro-6'-methoxy-5'-nitrocinchonan-9-ol","6'-methoxy-5'-nitro-10,11-dihydrocinchonan-9-ol",CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)c(c34)[N+](=O)[O-],CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)c(c34)[N+](=O)[O-],"InChI=1/C20H25N3O4/c1-3-12-11-22-9-7-13(12)10-16(22)20(24)14-6-8-21-15-4-5-17(27-2)19(18(14)15)23(25)26/h4-6,8,12-13,16,20,24H,3,7,9-11H2,1-2H3",C20H25N3O4,,,,,,LDLGHWSMRGQDQW-SFZJTNDWSA-N,,,,,,,,,,,
100.076.893,284-613-0,84946-10-1,"2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolane","2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolane",CC1(OCCO1)c2ccc(Cl)cc2Cl,CC1(OCCO1)c2ccc(Cl)cc2Cl,"InChI=1/C10H10Cl2O2/c1-10(13-4-5-14-10)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3",C10H10Cl2O2,,,,,,HAXWHYNRHOLHCE-UHFFFAOYSA-N,,,,,,,,,,,
100.076.896,284-616-7,84946-13-4,Ethyl [2-[(2-bromoethyl)aminocarbonyl]phenyl]carbamate,ethyl {2-[(2-bromoethyl)carbamoyl]phenyl}carbamate,CCOC(=O)Nc1ccccc1C(=O)NCCBr,CCOC(=O)Nc1ccccc1C(=O)NCCBr,"InChI=1/C12H15BrN2O3/c1-2-18-12(17)15-10-6-4-3-5-9(10)11(16)14-8-7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)",C12H15BrN2O3,,,,,,XDURMDIAKBDTQF-UHFFFAOYSA-N,,,,,,,,,,,
100.076.901,284-621-4,84946-18-9,"3-(2-hydroxyethyl)-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one","3-(2-hydroxyethyl)-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=CN2C(=NC(=C(CCO)C2=O)C)C=C1,CC1=CN2C(=NC(=C(CCO)C2=O)C)C=C1,"InChI=1/C12H14N2O2/c1-8-3-4-11-13-9(2)10(5-6-15)12(16)14(11)7-8/h3-4,7,15H,5-6H2,1-2H3",C12H14N2O2,,,,,,LKDLUQYXKRFMNW-UHFFFAOYSA-N,,,,,,,,,,,
100.076.904,284-625-6,84946-21-4,N-(2-chloroethyl)-2-nitrobenzamide,N-(2-chloroethyl)-2-nitrobenzamide,[O-][N+](=O)c1ccccc1C(=O)NCCCl,[O-][N+](=O)c1ccccc1C(=O)NCCCl,"InChI=1/C9H9ClN2O3/c10-5-6-11-9(13)7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,11,13)",C9H9ClN2O3,,,,,,JMTMTKFVHPTYCR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.011,279-236-3,79694-44-3,"2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-1-phenyl-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-(3-methylphenyl)acetamide","2-cyano-N-(3-methylphenyl)-2-[3-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)-2,3-dihydro-1H-isoindol-1-ylidene]acetamide",Cc1cc(ccc1)NC(=O)C(C#N)=C3NC(c2ccccc23)=C5C(=O)NC(=O)N(c4ccccc4)C5=O,Cc1cc(ccc1)NC(=O)C(C#N)=C3NC(c2ccccc23)=C5C(=O)NC(=O)N(c4ccccc4)C5=O,"InChI=1/C28H19N5O4/c1-16-8-7-9-17(14-16)30-25(34)21(15-29)23-19-12-5-6-13-20(19)24(31-23)22-26(35)32-28(37)33(27(22)36)18-10-3-2-4-11-18/h2-14,31H,1H3,(H,30,34)(H,32,35,37)",C28H19N5O4,,,,,,KSRXHIIGJKQXBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.086,271-616-7,68592-12-1,2-[4-chloro-3-(chlorosulphonyl)benzoyl]benzoic acid,2-[4-chloro-3-(chlorosulfonyl)benzoyl]benzoic acid,OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)S(=O)(=O)Cl,OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)S(=O)(=O)Cl,"InChI=1/C14H8Cl2O5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)",C14H8Cl2O5S,,,,,,PYSORILUZXWKON-UHFFFAOYSA-N,,,,,,,,,,,
100.065.565,272-143-9,68757-57-3,Benzyl[2-(2-cyanoethoxy)ethyl]diethylammonium chloride,"N-benzyl-2-(2-cyanoethoxy)-N,N-diethylethanaminium chloride",[Cl-].CC[N+](CC)(CCOCCC#N)Cc1ccccc1,[Cl-].CC[N+](CC)(CCOCCC#N)Cc1ccccc1,"InChI=1/C16H25N2O.ClH/c1-3-18(4-2,12-14-19-13-8-11-17)15-16-9-6-5-7-10-16;/h5-7,9-10H,3-4,8,12-15H2,1-2H3;1H/q+1;/p-1",C16H25N2O.Cl,,,,,,HVZZFNDRBACREA-UHFFFAOYSA-M,,,,,,,,,,,
100.068.514,275-389-5,71411-83-1,Methyl 7-amino-4-hydroxynaphthalene-2-sulphonate,methyl 7-amino-4-hydroxynaphthalene-2-sulfonate,COS(=O)(=O)c1cc(O)c2ccc(N)cc2c1,COS(=O)(=O)c1cc(O)c2ccc(N)cc2c1,"InChI=1/C11H11NO4S/c1-16-17(14,15)9-5-7-4-8(12)2-3-10(7)11(13)6-9/h2-6,13H,12H2,1H3",C11H11NO4S,,,,,,ZJYPZMUQNWFWQH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.519,275-394-2,71411-88-6,"3-amino-4-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid","3-amino-4-[(phenylsulfonyl)oxy]naphthalene-2,7-disulfonic acid",Nc1c(OS(=O)(=O)c2ccccc2)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O,Nc1c(OS(=O)(=O)c2ccccc2)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C16H13NO9S3/c17-15-14(28(21,22)23)9-10-8-12(27(18,19)20)6-7-13(10)16(15)26-29(24,25)11-4-2-1-3-5-11/h1-9H,17H2,(H,18,19,20)(H,21,22,23)",C16H13NO9S3,,,,,,YNDVNOWHNUUFEB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.521,275-396-3,71411-90-0,"N-[(4-aminophenyl)methyl]benzene-1,4-diamine","N-(4-aminobenzyl)benzene-1,4-diamine",Nc1ccc(CNc2ccc(N)cc2)cc1,Nc1ccc(CNc2ccc(N)cc2)cc1,"InChI=1/C13H15N3/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9,14-15H2",C13H15N3,,,,,,ZQMZIOUGOZDCNR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.522,275-397-9,71411-91-1,"2-amino-N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide","2-amino-N-(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",Nc1ccccc1C(=O)Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23,Nc1ccccc1C(=O)Nc2cc(Br)c(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C21H14BrN3O3/c22-13-9-15(25-21(28)12-7-3-4-8-14(12)23)16-17(18(13)24)20(27)11-6-2-1-5-10(11)19(16)26/h1-9H,23-24H2,(H,25,28)",C21H14BrN3O3,,,,,,YHYAQHDHPRUMPW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.523,275-398-4,71411-92-2,"N,N-diethoxyacetamidine monohydrochloride","N,N-diethoxyethanimidamide hydrochloride",Cl.CCON(OCC)C(=N)C,Cl.CCON(OCC)C(=N)C,"InChI=1/C6H14N2O2.ClH/c1-4-9-8(6(3)7)10-5-2;/h7H,4-5H2,1-3H3;1H",C6H14N2O2.ClH,,,,,,NBYOMRPXTFIMIR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.524,275-400-3,71411-93-3,"2,6-diethoxybenzonitrile","2,6-diethoxybenzonitrile",CCOc1cccc(OCC)c1C#N,CCOc1cccc(OCC)c1C#N,"InChI=1/C11H13NO2/c1-3-13-10-6-5-7-11(14-4-2)9(10)8-12/h5-7H,3-4H2,1-2H3",C11H13NO2,,,,,,LYAUUADPQLFBTG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.764,270-162-7,68412-04-4,"1,6-Octadiene, 7-methyl-3-methylene-, acetylated",6-methyl-2-vinylhept-5-en-1-yl acetate,CC(=CCCC(COC(=O)C)C=C)C,CC(=CCCC(COC(=O)C)C=C)C,"InChI=1/C12H20O2/c1-5-12(9-14-11(4)13)8-6-7-10(2)3/h5,7,12H,1,6,8-9H2,2-4H3",-,,,,,,WZJLVKCNKMFUGH-UHFFFAOYSA-N,,,,,,,,,,,
100.066.652,273-339-7,68957-42-6,4-[(3-amino-p-tolyl)amino]-3-nitrobenzenesulphonic acid,4-[(3-amino-4-methylphenyl)amino]-3-nitrobenzenesulfonic acid,Cc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)O)cc1N,Cc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)O)cc1N,"InChI=1/C13H13N3O5S/c1-8-2-3-9(6-11(8)14)15-12-5-4-10(22(19,20)21)7-13(12)16(17)18/h2-7,15H,14H2,1H3,(H,19,20,21)",C13H13N3O5S,,,,,,LFOSDVFXPFUHBH-UHFFFAOYSA-N,,,,,,,,,,,
100.066.653,273-340-2,68957-43-7,"1,4,5,6-tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-1,3,5-triazin-2-acetamide","2-(4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamide",COc1ccccc1NC(=O)CC2=NC(=O)NC(=O)N2,COc1ccccc1NC(=O)CC2=NC(=O)NC(=O)N2,"InChI=1/C12H12N4O4/c1-20-8-5-3-2-4-7(8)13-10(17)6-9-14-11(18)16-12(19)15-9/h2-5H,6H2,1H3,(H,13,17)(H2,14,15,16,18,19)",C12H12N4O4,,,,,,WZQRSZBDOYBYFK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.656,273-343-9,68957-51-7,Ethyl(2-hydroxyethyl)[2-(stearoylamino)ethyl]ammonium ethyl sulphate,N-ethyl-2-hydroxy-N-[2-(stearoylamino)ethyl]ethanaminium ethyl sulfate,CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](CC)CCO.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](CC)CCO.CCOS(=O)(=O)[O-],"InChI=1/C24H50N2O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27;1-2-6-7(3,4)5/h27H,3-23H2,1-2H3,(H,25,28);2H2,1H3,(H,3,4,5)",C24H50N2O2.C2H6O4S,,,,,,HLQNAPRAEZTSLD-UHFFFAOYSA-N,,,,,,,,,,,
100.066.661,273-349-1,68957-57-3,Trimethyl-3-[[(undecafluoropentyl)sulphonyl]amino]propylammonium iodide,"N,N,N-trimethyl-3-{[(undecafluoropentyl)sulfonyl]amino}propan-1-aminium iodide",[I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H16F11N2O2S.HI/c1-24(2,3)6-4-5-23-27(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20;/h23H,4-6H2,1-3H3;1H/q+1;/p-1",C11H16F11N2O2S.I,,,,,,MWKSAQOKDXBQAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.780,276-781-9,72716-93-9,5-[(6-methyl-3-pyridyl)methyl]-2-(nitroamino)-1H-pyrimidin-4-one,5-[(6-methylpyridin-3-yl)methyl]-2-(nitroamino)pyrimidin-4(1H)-one,Cc1ccc(CC2=CNC(=NC2=O)N[N+](=O)[O-])cn1,Cc1ccc(CC2=CNC(=NC2=O)N[N+](=O)[O-])cn1,"InChI=1/C11H11N5O3/c1-7-2-3-8(5-12-7)4-9-6-13-11(14-10(9)17)15-16(18)19/h2-3,5-6H,4H2,1H3,(H2,13,14,15,17)",C11H11N5O3,,,,,,KWBSLRQDOHBJPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.783,276-785-0,72724-82-4,Nonyl anthranilate,nonyl 2-aminobenzoate,CCCCCCCCCOC(=O)c1ccccc1N,CCCCCCCCCOC(=O)c1ccccc1N,"InChI=1/C16H25NO2/c1-2-3-4-5-6-7-10-13-19-16(18)14-11-8-9-12-15(14)17/h8-9,11-12H,2-7,10,13,17H2,1H3",C16H25NO2,,,,,,KXSLATJQCYFGPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.785,276-787-1,72726-18-2,"Butyl 2,3-dichloropropionate","butyl 2,3-dichloropropanoate",CCCCOC(=O)C(Cl)CCl,CCCCOC(=O)C(Cl)CCl,"InChI=1/C7H12Cl2O2/c1-2-3-4-11-7(10)6(9)5-8/h6H,2-5H2,1H3",C7H12Cl2O2,,,,,,RQSDGSZMJSYKBB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.788,276-790-8,72727-57-2,"Ethyl 2-methyl-a-pentyl-1,3-dioxolane-2-acetate","ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate",CCCCCC(C(=O)OCC)C1(C)OCCO1,CCCCCC(C(=O)OCC)C1(C)OCCO1,"InChI=1/C13H24O4/c1-4-6-7-8-11(12(14)15-5-2)13(3)16-9-10-17-13/h11H,4-10H2,1-3H3",C13H24O4,,,,,,AHEPPWIHINNDTF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.798,276-801-6,72727-68-5,Methyl 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]benzoate,methyl 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]benzoate,COC(=O)c3ccccc3N=CC(C)CC2CC1CCC2C1,COC(=O)c3ccccc3N=CC(C)CC2CC1CCC2C1,"InChI=1/C19H25NO2/c1-13(9-16-11-14-7-8-15(16)10-14)12-20-18-6-4-3-5-17(18)19(21)22-2/h3-6,12-16H,7-11H2,1-2H3",C19H25NO2,,,,,,OKFCAIWJERUNHP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.800,276-803-7,72727-70-9,4-(3-oxobutyl)phenyl butyrate,4-(3-oxobutyl)phenyl butyrate,CCCC(=O)Oc1ccc(CCC(=O)C)cc1,CCCC(=O)Oc1ccc(CCC(=O)C)cc1,"InChI=1/C14H18O3/c1-3-4-14(16)17-13-9-7-12(8-10-13)6-5-11(2)15/h7-10H,3-6H2,1-2H3",C14H18O3,,,,,,HFHMAFJEDGPVNB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.803,276-806-3,72738-09-1,Ethyl 3-oxopiperidine-4-carboxylate hydrochloride,ethyl 3-oxopiperidine-4-carboxylate hydrochloride,Cl.CCOC(=O)C1CCNCC1=O,Cl.CCOC(=O)C1CCNCC1=O,"InChI=1/C8H13NO3.ClH/c1-2-12-8(11)6-3-4-9-5-7(6)10;/h6,9H,2-5H2,1H3;1H",C8H13NO3.ClH,,,,,,VMVUBCKFICINHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.806,276-810-5,72749-55-4,"Imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates","1,2-diheptadecyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium methyl sulfate",CCCCCCCCCCCCCCCCCN1CC[N+](=C1CCCCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCN1CC[N+](=C1CCCCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-],"InChI=1/C38H77N2.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-39(3)36-37-40(38)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",-,,,,,,WOYHHGFPRAERNF-UHFFFAOYSA-M,,,,,,,,,,,
100.069.808,276-812-6,72749-63-4,2-[(aminocarbonyl)oxy]ethyl ethyl (hydroxymethyl)phosphonate,2-(carbamoyloxy)ethyl ethyl (hydroxymethyl)phosphonate,CCOP(=O)(CO)OCCOC(=O)N,CCOP(=O)(CO)OCCOC(=O)N,"InChI=1/C6H14NO6P/c1-2-12-14(10,5-8)13-4-3-11-6(7)9/h8H,2-5H2,1H3,(H2,7,9)",C6H14NO6P,,,,,,UCLMAMCZTXSICG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.618,270-001-0,68399-95-1,"N-(4-bromo-2,6-dichloro-3-methylphenyl)acetamide","N-(4-bromo-2,6-dichloro-3-methylphenyl)acetamide",CC(=O)Nc1c(Cl)cc(Br)c(C)c1Cl,CC(=O)Nc1c(Cl)cc(Br)c(C)c1Cl,"InChI=1/C9H8BrCl2NO/c1-4-6(10)3-7(11)9(8(4)12)13-5(2)14/h3H,1-2H3,(H,13,14)",C9H8BrCl2NO,,,,,,MRPNWLPYJSSISQ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.620,270-003-1,68399-97-3,1-amino-4-bromonaphthalene-2-sulphonic acid,1-amino-4-bromonaphthalene-2-sulfonic acid,Nc1c(cc(Br)c2ccccc12)S(=O)(=O)O,Nc1c(cc(Br)c2ccccc12)S(=O)(=O)O,"InChI=1/C10H8BrNO3S/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8/h1-5H,12H2,(H,13,14,15)",C10H8BrNO3S,,,,,,ICJBHRVOMUBBCB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.621,270-004-7,68399-98-4,"Ethyl 9,10-dihydro-3-morpholin-4-yl-7,10-dioxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-11-carboxylate","ethyl 3-morpholin-4-yl-7,10-dioxo-9,10-dihydro-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-11-carboxylate",CCOC(=O)C1=C2N(NC1=O)C(=O)c3cccc4c(ccc2c34)N5CCOCC5,CCOC(=O)C1=C2N(NC1=O)C(=O)c3cccc4c(ccc2c34)N5CCOCC5,"InChI=1/C21H19N3O5/c1-2-29-21(27)17-18-13-6-7-15(23-8-10-28-11-9-23)12-4-3-5-14(16(12)13)20(26)24(18)22-19(17)25/h3-7H,2,8-11H2,1H3,(H,22,25)",C21H19N3O5,,,,,,LQCWXOOQZZDWCC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.623,270-006-8,68400-00-0,"5-(benzoylamino)-4-hydroxy-3-[[1-sulpho-6-[[2-(sulphooxy)ethyl]sulphonyl]-2-naphthyl]azo]naphthalene-2,7-disulphonic acid","5-(benzoylamino)-4-hydroxy-3-[(1-sulfo-6-{[2-(sulfooxy)ethyl]sulfonyl}-2-naphthyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)OCCS(=O)(=O)c4cc5ccc(N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c(c5cc4)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c4cc5ccc(N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c(c5cc4)S(O)(=O)=O,"InChI=1/C29H23N3O17S5/c33-27-25-18(13-20(51(37,38)39)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(52(40,41)42)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(43,44)45)50(35,36)11-10-49-54(46,47)48/h1-9,12-15,33H,10-11H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)",C29H23N3O17S5,,,,,,HIJJKUHQANBAOM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.593,276-575-9,72305-84-1,"Dibutyl 3,3'-(diacetoxystannylene)dipropionate","dibutyl 3,3'-(diacetoxystannanediyl)dipropanoate",CCCCOC(=O)CC[Sn](CCC(=O)OCCCC)(OC(=O)C)OC(=O)C,CCCCOC(=O)CC[Sn](CCC(=O)OCCCC)(OC(=O)C)OC(=O)C,"InChI=1/2C7H13O2.2C2H4O2.Sn/c2*1-3-5-6-9-7(8)4-2;2*1-2(3)4;/h2*2-6H2,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2/rC18H32O8Sn/c1-5-7-11-23-17(21)9-13-27(25-15(3)19,26-16(4)20)14-10-18(22)24-12-8-6-2/h5-14H2,1-4H3",C18H32O8Sn,,,,,,CLCPQXGGMNMKNX-UHFFFAOYSA-L,,,,,,,,,,,
100.069.603,276-586-9,72319-18-7,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulfate",CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C23H26N3.H2O4S/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5(2,3)4/h5-6,8-15H,7,17H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C23H26N3.HO4S,,,,,,SMCZLJWHBOXGOO-UHFFFAOYSA-L,,,,,,,,,,,
100.069.606,276-590-0,72332-33-3,Procaterol,8-hydroxy-5-[1-hydroxy-2-(isopropylamino)butyl]quinolin-2(1H)-one,CCC(NC(C)C)C(O)c1ccc(O)c2NC(=O)C=Cc12,CCC(NC(C)C)C(O)c1ccc(O)c2NC(=O)C=Cc12,"InChI=1/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)",C16H22N2O3,,,,,,FKNXQNWAXFXVNW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.613,276-597-9,72361-40-1,"1-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium chloride","1-{2-[{4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethyl}pyridinium chloride",[Cl-].[O-][N+](=O)c3cc(cc(Br)c3N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)[N+]([O-])=O,[Cl-].[O-][N+](=O)c3cc(cc(Br)c3N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)[N+]([O-])=O,"InChI=1/C22H22BrN6O4.ClH/c1-3-27(12-11-26-9-5-4-6-10-26)17-7-8-20(16(2)13-17)24-25-22-19(23)14-18(28(30)31)15-21(22)29(32)33;/h4-10,13-15H,3,11-12H2,1-2H3;1H/q+1;/p-1",C22H22BrN6O4.Cl,,,,,,BZSGZDPYHAANQD-UHFFFAOYSA-M,,,,,,,,,,,
100.069.614,276-598-4,72361-41-2,"2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiol","2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiol",CC1C(S)CC2CC1C2(C)C,CC1C(S)CC2CC1C2(C)C,"InChI=1/C10H18S/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3",C10H18S,,,,,,BLTKIZZDFQAPPT-UHFFFAOYSA-N,,,,,,,,,,,
100.066.300,272-952-7,68921-69-7,"Dipotassium 2-acetamido-3-chloro-9,10-dihydroanthracene-9,10-diyl disulphate","dipotassium 2-acetamido-3-chloro-9,10-dihydroanthracene-9,10-diyl disulfate",[K+].[K+].CC(=O)Nc1cc2C(OS(=O)(=O)[O-])c3ccccc3C(OS(=O)(=O)[O-])c2cc1Cl,[K+].[K+].CC(=O)Nc1cc2C(OS(=O)(=O)[O-])c3ccccc3C(OS(=O)(=O)[O-])c2cc1Cl,"InChI=1/C16H14ClNO9S2.2K/c1-8(19)18-14-7-12-11(6-13(14)17)15(26-28(20,21)22)9-4-2-3-5-10(9)16(12)27-29(23,24)25;;/h2-7,15-16H,1H3,(H,18,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H14ClNO9S2.2K,,,,,,BQIXBJZCZZJNKT-UHFFFAOYSA-L,,,,,,,,,,,
100.066.314,272-967-9,68921-91-5,"4,6-dichloro-5-nitro-2-phenylpyrimidine","4,6-dichloro-5-nitro-2-phenylpyrimidine",[O-][N+](=O)c1c(Cl)nc(nc1Cl)c2ccccc2,[O-][N+](=O)c1c(Cl)nc(nc1Cl)c2ccccc2,InChI=1/C10H5Cl2N3O2/c11-8-7(15(16)17)9(12)14-10(13-8)6-4-2-1-3-5-6/h1-5H,C10H5Cl2N3O2,,,,,,SDWYUIVXOJWKKA-UHFFFAOYSA-N,,,,,,,,,,,
100.066.322,272-976-8,68922-03-2,5-decyltetrahydro-2H-pyran-2-one,5-decyltetrahydro-2H-pyran-2-one,CCCCCCCCCCC1CCC(=O)OC1,CCCCCCCCCCC1CCC(=O)OC1,"InChI=1/C15H28O2/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(16)17-13-14/h14H,2-13H2,1H3",C15H28O2,,,,,,WYUWHCDYSJXTHL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.412,274-176-4,69868-17-3,"2,3,4,5-tetrachloro-6-[(2-methyl-1H-imidazol-1-yl)carbonyl]benzoic acid","2,3,4,5-tetrachloro-6-[(2-methyl-1H-imidazol-1-yl)carbonyl]benzoic acid",Cc1nccn1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O,Cc1nccn1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O,"InChI=1/C12H6Cl4N2O3/c1-4-17-2-3-18(4)11(19)5-6(12(20)21)8(14)10(16)9(15)7(5)13/h2-3H,1H3,(H,20,21)",C12H6Cl4N2O3,,,,,,WHFCBWCUSWCPQU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.429,274-195-8,69898-41-5,"5-[4-(diethylamino)-2-ethoxyphenyl]-5-(1-ethyl-2-methyl-1H-indol-3-yl)furo[3,4-b]pyridin-7(5H)-one","5-[4-(diethylamino)-2-ethoxyphenyl]-5-(1-ethyl-2-methyl-1H-indol-3-yl)furo[3,4-b]pyridin-7(5H)-one",CCOc1cc(ccc1C2(OC(=O)c3ncccc23)c4c(C)n(CC)c5ccccc45)N(CC)CC,CCOc1cc(ccc1C2(OC(=O)c3ncccc23)c4c(C)n(CC)c5ccccc45)N(CC)CC,"InChI=1/C30H33N3O3/c1-6-32(7-2)21-16-17-23(26(19-21)35-9-4)30(24-14-12-18-31-28(24)29(34)36-30)27-20(5)33(8-3)25-15-11-10-13-22(25)27/h10-19H,6-9H2,1-5H3",C30H33N3O3,,,,,,OIIAWEYLHHHZJC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.432,274-198-4,69898-48-2,"2-methoxy-3,5-dimethylcyclopent-2-en-1-one","2-methoxy-3,5-dimethylcyclopent-2-en-1-one",COC1=C(C)CC(C)C1=O,COC1=C(C)CC(C)C1=O,"InChI=1/C8H12O2/c1-5-4-6(2)8(10-3)7(5)9/h5H,4H2,1-3H3",C8H12O2,,,,,,IMXXGEZPPYRXAP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.436,274-204-5,69898-62-0,"Hexadecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylate","hexadecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate",CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2(c3ccc(cc3OCC)N(CC)CC)c4c(C)n(CC)c5ccccc45,CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2(c3ccc(cc3OCC)N(CC)CC)c4c(C)n(CC)c5ccccc45,"InChI=1/C48H66N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-22-23-26-33-54-46(51)37-29-31-41-40(34-37)47(52)55-48(41,45-36(6)50(10-4)43-28-25-24-27-39(43)45)42-32-30-38(49(8-2)9-3)35-44(42)53-11-5/h24-25,27-32,34-35H,7-23,26,33H2,1-6H3",C48H66N2O5,,,,,,FUFPPSDQHUWJRG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.014,279-240-5,79709-85-6,"trans-4-ethyl-4'-(4-pentylcyclohexyl)-1,1'-biphenyl",4-ethyl-4'-(4-pentylcyclohexyl)biphenyl,CCCCCC1CCC(CC1)c2ccc(cc2)c3ccc(CC)cc3,CCCCCC1CCC(CC1)c2ccc(cc2)c3ccc(CC)cc3,"InChI=1/C25H34/c1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22/h8-9,12-13,16-19,21,23H,3-7,10-11,14-15H2,1-2H3",C25H34,,,,,,JOLGXBQYTARJLD-UHFFFAOYSA-N,,,,,,,,,,,
100.072.016,279-242-6,79720-19-7,"3-dodecyl-1-(2,2,6,6-tetramethyl-4-piperidyl)pyrrolidine-2,5-dione","3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione",CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O,CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O,"InChI=1/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21/h20-21,26H,6-19H2,1-5H3",C25H46N2O2,,,,,,FBIXXCXCZOZFCO-UHFFFAOYSA-N,,,,,,,,,,,
100.072.018,279-244-7,79720-23-3,"1,2,3,6-tetrahydro-4-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)phthalimide","5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",CC1=CCC2C(C1)C(=O)N(C3CC(C)(C)NC(C)(C)C3)C2=O,CC1=CCC2C(C1)C(=O)N(C3CC(C)(C)NC(C)(C)C3)C2=O,"InChI=1/C18H28N2O2/c1-11-6-7-13-14(8-11)16(22)20(15(13)21)12-9-17(2,3)19-18(4,5)10-12/h6,12-14,19H,7-10H2,1-5H3",C18H28N2O2,,,,,,XIMXZMJOUJVSOT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.019,279-245-2,79720-24-4,"Hexahydro-4-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)phthalimide","5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",CC1CCC2C(C1)C(=O)N(C3CC(C)(C)NC(C)(C)C3)C2=O,CC1CCC2C(C1)C(=O)N(C3CC(C)(C)NC(C)(C)C3)C2=O,"InChI=1/C18H30N2O2/c1-11-6-7-13-14(8-11)16(22)20(15(13)21)12-9-17(2,3)19-18(4,5)10-12/h11-14,19H,6-10H2,1-5H3",C18H30N2O2,,,,,,WWHKCKYSXZTSEP-UHFFFAOYSA-N,,,,,,,,,,,
100.072.032,279-259-9,79780-39-5,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulphonic acid","1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12HF25O3S/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)41(38,39)40/h(H,38,39,40)",C12HF25O3S,,,,,,CFCRODHVHXGTPC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.040,279-268-8,79793-01-4,"Methyl o-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulphonyl]benzoate, monopotassium salt",-,[K+].COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2,[K+].COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2,"InChI=1/C15H16N4O5S.K/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3;/h4-8H,1-3H3,(H2,16,17,18,19,21);/q;+1",C15H16N4O5S.K,,,,,,OJIBMMKMXQHCPN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.158,282-700-8,84304-15-4,"2,6-dimethyl-4-phenylpyrylium hexafluoroarsenate","2,6-dimethyl-4-phenylpyrylium hexafluoroarsenate(1-)",Cc1cc(cc(C)[o+]1)c2ccccc2.F[As-](F)(F)(F)(F)F,Cc1cc(cc(C)[o+]1)c2ccccc2.F[As-](F)(F)(F)(F)F,"InChI=1/C13H13O.AsF6/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12;2-1(3,4,5,6)7/h3-9H,1-2H3;/q+1;-1",C13H13O.AsF6,,,,,,PWTFVJFVWXJYSY-UHFFFAOYSA-N,,,,,,,,,,,
100.075.162,282-705-5,84304-19-8,"4-[[5-[[1-[4'-(hexadecyloxy)-3,6-dihydroxy-5-methyl[1,1'-biphenyl]-2-yl]ethyl]sulphonyl]-2-methoxyphenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-{[5-({1-[4'-(hexadecyloxy)-3,6-dihydroxy-5-methylbiphenyl-2-yl]ethyl}sulfonyl)-2-methoxyphenyl]diazenyl}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CCCCCCCCCCCCCCCCOc1ccc(cc1)c2c(O)c(C)cc(O)c2C(C)S(=O)(=O)c5cc(N=NC4C(\\C)=N/N(c3ccccc3)C4=O)c(OC)cc5,CCCCCCCCCCCCCCCCOc1ccc(cc1)c2c(O)c(C)cc(O)c2C(C)S(=O)(=O)c5cc(N=NC4C(\C)=N/N(c3ccccc3)C4=O)c(OC)cc5,"InChI=1/C48H62N4O7S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-59-39-27-25-37(26-28-39)45-44(42(53)32-34(2)47(45)54)36(4)60(56,57)40-29-30-43(58-5)41(33-40)49-50-46-35(3)51-52(48(46)55)38-23-20-19-21-24-38/h19-21,23-30,32-33,36,46,53-54H,6-18,22,31H2,1-5H3",C48H62N4O7S,,,,,,QCDCGFUCERJMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.163,282-706-0,84304-21-2,Triethylammonium C-2-oxopropyl 4-oxo-3-phenyl-5-[[3-(4-sulphonatobutyl)benzoxazol-2(3H)-ylidene]ethylidene]-2-thioxoimidazolidine-1-acetate,"N,N-diethylethanaminium 4-[2-(2-{5-oxo-3-[2-oxo-2-(2-oxopropoxy)ethyl]-1-phenyl-2-thioxoimidazolidin-4-ylidene}ethylidene)-1,3-benzoxazol-3(2H)-yl]butane-1-sulfonate",CC[NH+](CC)CC.CC(=O)COC(=O)CN4C(=S)N(c1ccccc1)C(=O)C4=CC=C3Oc2ccccc2N3CCCCS([O-])(=O)=O,CC[NH+](CC)CC.CC(=O)COC(=O)CN4C(=S)N(c1ccccc1)C(=O)C4=CC=C3Oc2ccccc2N3CCCCS([O-])(=O)=O,"InChI=1/C27H27N3O8S2.C6H15N/c1-19(31)18-37-25(32)17-29-22(26(33)30(27(29)39)20-9-3-2-4-10-20)13-14-24-28(15-7-8-16-40(34,35)36)21-11-5-6-12-23(21)38-24;1-4-7(5-2)6-3/h2-6,9-14H,7-8,15-18H2,1H3,(H,34,35,36);4-6H2,1-3H3",C27H27N3O8S2.C6H15N,,,,,,OZBGEDSHPQAEBF-UHFFFAOYSA-N,,,,,,,,,,,
100.075.165,282-708-1,84307-99-3,Methyl pent-2-enethioate,S-methyl pent-2-enethioate,CCC=CC(=O)SC,CCC=CC(=O)SC,"InChI=1/C6H10OS/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3",C7H12OS,,,,,,MHMDFLKCEHGMMH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.166,282-709-7,84308-52-1,"Diammonium 2,2'-[1,2-ethanediylbis(iminocarbonyl)]bisbenzoate","diammonium 2,2'-(ethane-1,2-diyldicarbamoyl)dibenzoate",[NH4+].[NH4+].[O-]C(=O)c1ccccc1C(=O)NCCNC(=O)c2ccccc2C(=O)[O-],[NH4+].[NH4+].[O-]C(=O)c1ccccc1C(=O)NCCNC(=O)c2ccccc2C(=O)[O-],"InChI=1/C18H16N2O6.2H3N/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26;;/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);2*1H3",C18H16N2O6.2H3N,,,,,,FGAQRBQPHXADBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.144,273-879-3,69121-14-8,"Disodium 5-[[4-[[2,6-dihydroxy-3-[[2-hydroxy-5-[(3-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]benzoyl]amino]salicylate","disodium 5-[(4-{[2,6-dihydroxy-3-({2-hydroxy-5-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}benzoyl)amino]-2-hydroxybenzoate",[Na+].[Na+].Oc3c(ccc(O)c3N=Nc1ccc(cc1)C(=O)Nc2cc(C([O-])=O)c(O)cc2)N=Nc5cc(N=Nc4cccc(c4)S([O-])(=O)=O)ccc5O,[Na+].[Na+].Oc3c(ccc(O)c3N=Nc1ccc(cc1)C(=O)Nc2cc(C([O-])=O)c(O)cc2)N=Nc5cc(N=Nc4cccc(c4)S([O-])(=O)=O)ccc5O,"InChI=1/C32H23N7O10S.2Na/c40-26-11-8-19(15-23(26)32(45)46)33-31(44)17-4-6-18(7-5-17)34-39-29-28(42)13-10-24(30(29)43)37-38-25-16-21(9-12-27(25)41)36-35-20-2-1-3-22(14-20)50(47,48)49;;/h1-16,40-43H,(H,33,44)(H,45,46)(H,47,48,49);;/q;2*+1/p-2",C32H23N7O10S.2Na,,,,,,ABTPGIOEJSPPAW-UHFFFAOYSA-L,,,,,,,,,,,
100.068.548,275-427-0,71412-21-0,"3,4-dihydro-6-(isopropyl)-3-[4-(isopropyl)phenyl]quinazoline","6-isopropyl-3-(4-isopropylphenyl)-3,4-dihydroquinazoline",CC(C)c1ccc(cc1)N2Cc3cc(ccc3N=C2)C(C)C,CC(C)c1ccc(cc1)N2Cc3cc(ccc3N=C2)C(C)C,"InChI=1/C20H24N2/c1-14(2)16-5-8-19(9-6-16)22-12-18-11-17(15(3)4)7-10-20(18)21-13-22/h5-11,13-15H,12H2,1-4H3",C20H24N2,,,,,,HPYGVQVYBLTAJP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.551,275-430-7,71412-24-3,"4,4'-[1-(4-piperidyl)propane-1,3-diyl]bis(piperidine-1-ethanol)","2,2'-[(1-piperidin-4-ylpropane-1,3-diyl)dipiperidine-4,1-diyl]diethanol",OCCN1CCC(CCC(C2CCNCC2)C3CCN(CCO)CC3)CC1,OCCN1CCC(CCC(C2CCNCC2)C3CCN(CCO)CC3)CC1,"InChI=1/C22H43N3O2/c26-17-15-24-11-5-19(6-12-24)1-2-22(20-3-9-23-10-4-20)21-7-13-25(14-8-21)16-18-27/h19-23,26-27H,1-18H2",C22H43N3O2,,,,,,GUHDBMMUZOUAPA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.553,275-432-8,71412-26-5,"2,3-dimethylbutyl acetate","2,3-dimethylbutyl acetate",CC(C)C(C)COC(=O)C,CC(C)C(C)COC(=O)C,"InChI=1/C8H16O2/c1-6(2)7(3)5-10-8(4)9/h6-7H,5H2,1-4H3",C8H16O2,,,,,,WFDGVYOPMMQGAR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.554,275-433-3,71412-36-7,"Tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 3-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc34)S([O-])(=O)=O)c5cccc(c56)S([O-])(=O)=O)nc(Cl)n7,[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc34)S([O-])(=O)=O)c5cccc(c56)S([O-])(=O)=O)nc(Cl)n7,"InChI=1/C33H22ClN9O12S4.4Na/c34-31-37-32(35)39-33(38-31)36-26-12-11-24(20-4-2-6-28(30(20)26)58(50,51)52)42-43-25-10-9-23(18-8-7-17(15-21(18)25)56(44,45)46)41-40-16-13-22-19(29(14-16)59(53,54)55)3-1-5-27(22)57(47,48)49;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4",C33H22ClN9O12S4.4Na,,,,,,OSNMCWKASAZUPV-UHFFFAOYSA-J,,,,,,,,,,,
100.068.558,275-438-0,71420-37-6,[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid,[(2-isopropyl-5-methylcyclohexyl)oxy]acetic acid,CC(C)C1CCC(C)CC1OCC(=O)O,CC(C)C1CCC(C)CC1OCC(=O)O,"InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)",C12H22O3,,,,,,CILPHQCEVYJUDN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.565,275-445-9,71436-86-7,2-tert-butyl-4-methylcyclohexan-1-one,2-tert-butyl-4-methylcyclohexanone,CC1CCC(=O)C(C1)C(C)(C)C,CC1CCC(=O)C(C1)C(C)(C)C,"InChI=1/C11H20O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h8-9H,5-7H2,1-4H3",C11H20O,,,,,,JYQXSLRPPWZDEB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.579,275-461-6,71441-76-4,Ethyl 1-methylcyclopropanecarboxylate,ethyl 1-methylcyclopropanecarboxylate,CCOC(=O)C1(C)CC1,CCOC(=O)C1(C)CC1,"InChI=1/C7H12O2/c1-3-9-6(8)7(2)4-5-7/h3-5H2,1-2H3",C7H12O2,,,,,,IZPYNZLFBUQGCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.819,270-222-2,68413-50-3,[3-(4-dodecylphenoxy)-2-hydroxypropyl]trimethylammonium chloride,"3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCCc1ccc(OCC(O)C[N+](C)(C)C)cc1,[Cl-].CCCCCCCCCCCCc1ccc(OCC(O)C[N+](C)(C)C)cc1,"InChI=1/C24H44NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-22-16-18-24(19-17-22)27-21-23(26)20-25(2,3)4;/h16-19,23,26H,5-15,20-21H2,1-4H3;1H/q+1;/p-1",C24H44NO2.Cl,,,,,,QJSUWTKXJNVMQU-UHFFFAOYSA-M,,,,,,,,,,,
100.063.821,270-224-3,68413-52-5,"5-(benzoylamino)-3-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulpho-2-naphthyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-(benzoylamino)-3-[(5-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-1-sulfo-2-naphthyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid",Clc6c(NCc5cccc4c5ccc(N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4S(O)(=O)=O)nc(F)nc6F,Clc6c(NCc5cccc4c5ccc(N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4S(O)(=O)=O)nc(F)nc6F,"InChI=1/C32H21ClF2N6O11S3/c33-25-29(34)38-32(35)39-30(25)36-14-16-7-4-8-20-19(16)9-10-21(28(20)55(50,51)52)40-41-26-23(54(47,48)49)12-17-11-18(53(44,45)46)13-22(24(17)27(26)42)37-31(43)15-5-2-1-3-6-15/h1-13,42H,14H2,(H,37,43)(H,36,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52)",C32H21ClF2N6O11S3,,,,,,XGPZSWLJLFDEDC-UHFFFAOYSA-N,,,,,,,,,,,
100.066.664,273-352-8,68957-60-8,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonamide monohydrochloride","N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide hydrochloride",Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H13F11N2O2S.ClH/c1-23(2)5-3-4-22-26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19;/h22H,3-5H2,1-2H3;1H",C10H13F11N2O2S.ClH,,,,,,JMNCANKNSXHVCP-UHFFFAOYSA-N,,,,,,,,,,,
100.063.624,270-007-3,68400-01-1,"Formic acid, compound with [2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]propyl]dimethylamine (1:1)","formic acid - 2-[2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-N,N-dimethylpropan-1-amine (1:1)",CC(CN(C)C)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O,CC(CN(C)C)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O,"InChI=1/C22H28ClN3O3S.CH2O2/c1-17(16-25(2)3)29-14-15-30(27,28)21-10-8-20(9-11-21)26-13-12-22(24-26)18-4-6-19(23)7-5-18;2-1-3/h4-11,17H,12-16H2,1-3H3;1H,(H,2,3)",C22H28ClN3O3S.CH2O2,,,,,,HQUNJTQGOYQYMO-UHFFFAOYSA-N,,,,,,,,,,,
100.064.107,270-540-1,68443-60-7,"1,1',1'',1'''-(1,3,5-trimethyl-7-methyleneheptane-1,3,5,7-tetrayl)tetrabenzene","1,1',1'',1'''-(4,6-dimethylnon-1-ene-2,4,6,8-tetrayl)tetrabenzene",CC(CC(C)(CC(C)(CC(=C)c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4,CC(CC(C)(CC(C)(CC(=C)c1ccccc1)c2ccccc2)c3ccccc3)c4ccccc4,"InChI=1/C35H38/c1-28(30-17-9-5-10-18-30)25-34(3,32-21-13-7-14-22-32)27-35(4,33-23-15-8-16-24-33)26-29(2)31-19-11-6-12-20-31/h5-24,29H,1,25-27H2,2-4H3",C35H38,,,,,,OHRNENNJMYUUOA-UHFFFAOYSA-N,,,,,,,,,,,
100.066.942,273-657-6,68991-93-5,"4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl dihydrogen phosphate, compound with 2-amino-2-methylpropane-1,3-diol (1:2)","4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl dihydrogen phosphate - 2-amino-2-methylpropane-1,3-diol (1:2)",CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)(O)O)cc4C.CC(N)(CO)CO.CC(N)(CO)CO,CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)(O)O)cc4C.CC(N)(CO)CO.CC(N)(CO)CO,"InChI=1/C28H31O7P.2C4H11NO2/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;2*1-4(5,2-6)3-7/h7-16,29H,1-6H3,(H2,31,32,33);2*6-7H,2-3,5H2,1H3",C28H31O7P.2C4H11NO2,,,,,,GDHFONOAOFSWQN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.944,273-659-7,68991-95-7,"3,3,5-trimethylhexyl propionate","3,3,5-trimethylhexyl propionate",CCC(=O)OCCC(C)(C)CC(C)C,CCC(=O)OCCC(C)(C)CC(C)C,"InChI=1/C12H24O2/c1-6-11(13)14-8-7-12(4,5)9-10(2)3/h10H,6-9H2,1-5H3",C12H24O2,,,,,,XTUTYJWSYRBOJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.946,273-661-8,68991-97-9,"1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-2-naphthaldehyde","8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehyde",CC1(C)CCCC2=C1CC(CC2)C=O,CC1(C)CCCC2=C1CC(CC2)C=O,"InChI=1/C13H20O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h9-10H,3-8H2,1-2H3",C13H20O,,,,,,AQJANVUPNABWRU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.821,276-826-2,72765-52-7,Sodium 3-[[4-[(4-ethoxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate,sodium 3-({4-[(4-ethoxyphenyl)diazenyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].CCOc1ccc(cc1)N=Nc4ccc(N=Nc2cccc(c2)S([O-])(=O)=O)c3ccccc34,[Na+].CCOc1ccc(cc1)N=Nc4ccc(N=Nc2cccc(c2)S([O-])(=O)=O)c3ccccc34,"InChI=1/C24H20N4O4S.Na/c1-2-32-19-12-10-17(11-13-19)25-27-23-14-15-24(22-9-4-3-8-21(22)23)28-26-18-6-5-7-20(16-18)33(29,30)31;/h3-16H,2H2,1H3,(H,29,30,31);/q;+1/p-1",C24H20N4O4S.Na,,,,,,FTYDFSDLKHVWLD-UHFFFAOYSA-M,,,,,,,,,,,
100.069.822,276-827-8,72765-55-0,"1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-[[4-(phenylazo)phenyl]azo]-1,3'-bipyridinium malate","6'-hydroxy-4'-methyl-2'-oxo-5'-{[4-(phenyldiazenyl)phenyl]diazenyl}-1',2'-dihydro-1,3'-bipyridinium malate",O=C4[NH2+]C(\\O)=C(\\N=Nc2ccc(N=Nc1ccccc1)cc2)C(\\C)=C4\\[n+]3ccccc3.[O-]C(=O)CC(O)C([O-])=O,O=C4[NH2+]C(\O)=C(\N=Nc2ccc(N=Nc1ccccc1)cc2)C(\C)=C4\[n+]3ccccc3.[O-]C(=O)CC(O)C([O-])=O,"InChI=1/C23H18N6O2.C4H6O5/c1-16-20(22(30)24-23(31)21(16)29-14-6-3-7-15-29)28-27-19-12-10-18(11-13-19)26-25-17-8-4-2-5-9-17;5-2(4(8)9)1-3(6)7/h2-15H,1H3,(H-,24,25,27,30,31);2,5H,1H2,(H,6,7)(H,8,9)",C23H19N6O2.C4H5O5,,,,,,CVCMSDGQKGXYDG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.828,276-834-6,72785-13-8,3-methoxybutyl isobutyrate,3-methoxybutyl 2-methylpropanoate,COC(C)CCOC(=O)C(C)C,COC(C)CCOC(=O)C(C)C,"InChI=1/C9H18O3/c1-7(2)9(10)12-6-5-8(3)11-4/h7-8H,5-6H2,1-4H3",C9H18O3,,,,,,IBGVCUQZCCGGCH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.843,276-850-3,72797-26-3,2-[[4-[benzylmethylamino]phenyl]azo]-3-methylthiazolium chloride,"2-({4-[benzyl(methyl)amino]phenyl}diazenyl)-3-methyl-1,3-thiazol-3-ium chloride",[Cl-].CN(Cc1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C,[Cl-].CN(Cc1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C,"InChI=1/C18H19N4S.ClH/c1-21-12-13-23-18(21)20-19-16-8-10-17(11-9-16)22(2)14-15-6-4-3-5-7-15;/h3-13H,14H2,1-2H3;1H/q+1;/p-1",C18H19N4S.Cl,,,,,,AYTFBSHAPXBMGO-UHFFFAOYSA-M,,,,,,,,,,,
100.065.194,271-735-4,68606-26-8,"Hydrocarbons, C3",prop-1-ene,CC=C,CC=C,"InChI=1/C3H6/c1-3-2/h3H,1H2,2H3",-,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15193,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.194,QQONPFPTGQHPMA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.652,272-239-0,68784-32-7,"Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu) esters",O-(2-ethylhexyl) O-isobutyl hydrogen dithiophosphate,CCCCC(CC)COP(=S)(S)OCC(C)C,CCCCC(CC)COP(=S)(S)OCC(C)C,"InChI=1/C12H27O2PS2/c1-5-7-8-12(6-2)10-14-15(16,17)13-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,16,17)",-,,,,,,MMNHBJSAJAQAQT-UHFFFAOYSA-N,,,,,,,,,,,
100.066.950,273-666-5,68992-01-8,"1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxonicotinonitrile","1-(2-ethylhexyl)-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",[O-][N+](=O)c2cc(OC)ccc2N=N/C1=C(\\O)N(CC(CCCC)CC)C(=O)C(/C#N)=C1/C,[O-][N+](=O)c2cc(OC)ccc2N=N/C1=C(\O)N(CC(CCCC)CC)C(=O)C(/C#N)=C1/C,"InChI=1/C22H27N5O5/c1-5-7-8-15(6-2)13-26-21(28)17(12-23)14(3)20(22(26)29)25-24-18-10-9-16(32-4)11-19(18)27(30)31/h9-11,15,29H,5-8,13H2,1-4H3",C22H27N5O5,,,,,,KXPPHRLDOIPZDT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.437,274-205-0,69898-63-1,"Hexadecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylate","hexadecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate",CCCCCCCCCCCCCCCCOC(=O)c1ccc2C(=O)OC(c3ccc(cc3OCC)N(CC)CC)(c2c1)c4c(C)n(CC)c5ccccc45,CCCCCCCCCCCCCCCCOC(=O)c1ccc2C(=O)OC(c3ccc(cc3OCC)N(CC)CC)(c2c1)c4c(C)n(CC)c5ccccc45,"InChI=1/C48H66N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-22-23-26-33-54-46(51)37-29-31-39-42(34-37)48(55-47(39)52,45-36(6)50(10-4)43-28-25-24-27-40(43)45)41-32-30-38(49(8-2)9-3)35-44(41)53-11-5/h24-25,27-32,34-35H,7-23,26,33H2,1-6H3",C48H66N2O5,,,,,,FGRUXJLXBWXXGP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.439,274-207-1,69898-65-3,"Tetradecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylate","tetradecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate",CCCCCCCCCCCCCCOC(=O)c1ccc2C(=O)OC(c3ccc(cc3OCC)N(CC)CC)(c2c1)c4c(C)n(CC)c5ccccc45,CCCCCCCCCCCCCCOC(=O)c1ccc2C(=O)OC(c3ccc(cc3OCC)N(CC)CC)(c2c1)c4c(C)n(CC)c5ccccc45,"InChI=1/C46H62N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-24-31-52-44(49)35-27-29-37-40(32-35)46(53-45(37)50,43-34(6)48(10-4)41-26-23-22-25-38(41)43)39-30-28-36(47(8-2)9-3)33-42(39)51-11-5/h22-23,25-30,32-33H,7-21,24,31H2,1-6H3",C46H62N2O5,,,,,,GURBNRZOMYIYBU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.181,276-122-5,71873-45-5,"Disodium 4,4'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]","disodium 4,4'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(imino-4,1-phenyleneimino)]bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc1ccc(cc1)NC(=O)C=CC(=O)Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc1ccc(cc1)NC(=O)C=CC(=O)Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,"InChI=1/C44H30N6O12S2.2Na/c45-39-31(63(57,58)59)19-29(35-37(39)43(55)27-7-3-1-5-25(27)41(35)53)47-21-9-13-23(14-10-21)49-33(51)17-18-34(52)50-24-15-11-22(12-16-24)48-30-20-32(64(60,61)62)40(46)38-36(30)42(54)26-6-2-4-8-28(26)44(38)56;;/h1-20,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62);;/q;2*+1/p-2",C44H30N6O12S2.2Na,,,,,,XOMNOKKFFFJVHS-UHFFFAOYSA-L,,,,,,,,,,,
100.069.200,276-142-4,71888-54-5,Triethylpropylphosphonium iodide,triethyl(propyl)phosphonium iodide,[I-].CCC[P+](CC)(CC)CC,[I-].CCC[P+](CC)(CC)CC,"InChI=1/C9H22P.HI/c1-5-9-10(6-2,7-3)8-4;/h5-9H2,1-4H3;1H/q+1;/p-1",C9H22P.I,,,,,,NKKDYOFUNUWUTQ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.201,276-144-5,71888-55-6,1-propylpiperazine hydrochloride,1-propylpiperazine hydrochloride,Cl.CCCN1CCNCC1,Cl.CCCN1CCNCC1,"InChI=1/C7H16N2.ClH/c1-2-5-9-6-3-8-4-7-9;/h8H,2-7H2,1H3;1H",C7H16N2.xClH,,,,,,QFCLTBGHRZKNGY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.208,276-151-3,71888-64-7,"Chloro(2,5-dimethylphenyl)magnesium","chloro(2,5-dimethylphenyl)magnesium",Cc1ccc(C)c([Mg]Cl)c1,Cc1ccc(C)c([Mg]Cl)c1,"InChI=1/C8H9.ClH.Mg/c1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;1H;/q;;+1/p-1/rC8H9ClMg/c1-6-3-4-7(2)8(5-6)10-9/h3-5H,1-2H3",C8H9ClMg,,,,,,FOPMUOPCXKQJMO-UHFFFAOYSA-M,,,,,,,,,,,
100.069.214,276-158-1,71888-89-6,"1,2-Benzenedicarboxylic acid, di-C6-8-branched alkyl esters, C7-rich",bis(5-methylhexyl) phthalate,CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C,CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C,"InChI=1/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3",-,,,,,,RKELNIPLHQEBJO-UHFFFAOYSA-N,,,,,,,,,,,
100.066.329,272-984-1,68922-12-3,"5-hydroxy-7,11-dimethyldodec-10-en-3-one","5-hydroxy-7,11-dimethyldodec-10-en-3-one",CCC(=O)CC(O)CC(C)CCC=C(C)C,CCC(=O)CC(O)CC(C)CCC=C(C)C,"InChI=1/C14H26O2/c1-5-13(15)10-14(16)9-12(4)8-6-7-11(2)3/h7,12,14,16H,5-6,8-10H2,1-4H3",C14H26O2,,,,,,LZCOUZAIBZKDOG-UHFFFAOYSA-N,,,,,,,,,,,
100.066.332,272-987-8,68922-16-7,4-(acetoxy)-3-methylnonan-1-oic acid,4-acetoxy-3-methylnonanoic acid,CCCCCC(OC(=O)C)C(C)CC(=O)O,CCCCCC(OC(=O)C)C(C)CC(=O)O,"InChI=1/C12H22O4/c1-4-5-6-7-11(16-10(3)13)9(2)8-12(14)15/h9,11H,4-8H2,1-3H3,(H,14,15)",C12H22O4,,,,,,VIBLYVCTGOEYFA-UHFFFAOYSA-N,,,,,,,,,,,
100.066.333,272-988-3,68922-17-8,"1,1'-methylenebis(3-methylpiperidine)","1,1'-methylenebis(3-methylpiperidine)",CC1CCCN(CN2CCCC(C)C2)C1,CC1CCCN(CN2CCCC(C)C2)C1,"InChI=1/C13H26N2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-13H,3-11H2,1-2H3",C13H26N2,,,,,,KLFHRQOZJWCFOI-UHFFFAOYSA-N,,,,,,,,,,,
100.066.354,273-011-3,68928-43-8,Sodium mercaptomethanesulphonate,sodium sulfanylmethanesulfonate,[Na+].[O-]S(=O)(=O)CS,[Na+].[O-]S(=O)(=O)CS,"InChI=1/CH4O3S2.Na/c2-6(3,4)1-5;/h5H,1H2,(H,2,3,4);/q;+1/p-1",CH4O3S2.Na,,,,,,WBIKPQSRRXSSPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.066.357,273-015-5,68928-46-1,"D-glucitol 1,6-bis(3-mercaptopropionate)","1,6-bis-O-(3-sulfanylpropanoyl)-D-glucitol",O[C@H](COC(=O)CCS)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CCS,O[C@H](COC(=O)CCS)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CCS,"InChI=1/C12H22O8S2/c13-7(5-19-9(15)1-3-21)11(17)12(18)8(14)6-20-10(16)2-4-22/h7-8,11-14,17-18,21-22H,1-6H2",C12H22O8S2,,,,,,LQOOOJZQVCKCNK-IWXIMVSXSA-N,,,,,,,,,,,
100.067.458,274-228-6,69938-81-4,"2,2-dimethyl-1,3-propanediyl disalicylate","2,2-dimethylpropane-1,3-diyl bis(2-hydroxybenzoate)",CC(C)(COC(=O)c1ccccc1O)COC(=O)c2ccccc2O,CC(C)(COC(=O)c1ccccc1O)COC(=O)c2ccccc2O,"InChI=1/C19H20O6/c1-19(2,11-24-17(22)13-7-3-5-9-15(13)20)12-25-18(23)14-8-4-6-10-16(14)21/h3-10,20-21H,11-12H2,1-2H3",C19H20O6,,,,,,UPOAXWJOHRPRER-UHFFFAOYSA-N,,,,,,,,,,,
100.075.169,282-712-3,84320-88-7,2-(4-butylphenoxy)ethanol,2-(4-butylphenoxy)ethanol,CCCCc1ccc(OCCO)cc1,CCCCc1ccc(OCCO)cc1,"InChI=1/C12H18O2/c1-2-3-4-11-5-7-12(8-6-11)14-10-9-13/h5-8,13H,2-4,9-10H2,1H3",C12H18O2,,,,,,LYLSCFUAIGWHHI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.170,282-713-9,84322-84-9,Octacosyloxirane,2-octacosyloxirane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1,"InChI=1/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-29-31-30/h30H,2-29H2,1H3",C30H60O,,,,,,RTUMGNFSOFMUTE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.172,282-716-5,84332-87-6,Diammonium propylenebis(dithiocarbamate),"diammonium propane-1,2-diylbis(dithiocarbamate)",[NH4+].[NH4+].CC(CNC(=S)[S-])NC(=S)[S-],[NH4+].[NH4+].CC(CNC(=S)[S-])NC(=S)[S-],"InChI=1/C5H10N2S4.2H3N/c1-3(7-5(10)11)2-6-4(8)9;;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);2*1H3",C5H10N2S4.2H3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11690,https://echa.europa.eu/substance-information/-/substanceinfo/100.075.172,XJQIWXCAMHSQTA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.181,282-725-4,84332-96-7,2-ethylhexyl 4-[[dibutyl(dodecylthio)stannyl]oxy]-4-oxoisocrotonate,2-ethylhexyl 4-{[dibutyl(dodecylsulfanyl)stannyl]oxy}-4-oxobut-2-enoate,CCCCCCCCCCCCS[Sn](CCCC)(CCCC)OC(=O)\\C=C/C(=O)OCC(CC)CCCC,CCCCCCCCCCCCS[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)OCC(CC)CCCC,"InChI=1/C12H20O4.C12H26S.2C4H9.Sn/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-4-2;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);13H,2-12H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H62O4SSn/c1-6-11-15-16-17-18-19-20-21-22-26-37-38(27-13-8-3,28-14-9-4)36-32(34)25-24-31(33)35-29-30(10-5)23-12-7-2/h24-25,30H,6-23,26-29H2,1-5H3",C32H62O4SSn,,,,,,XXCJOZIWNCFURY-LIIRSGIESA-L,,,,,,,,,,,
100.075.186,282-731-7,84360-89-4,"4-[[4-[[[4-[[1-(4,5-dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl]sulphonyl]phenyl]amino]sulphonyl]phenyl]azo]-4,5-dihydro-N-methyl-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide","4-({4-[(4-{[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl]sulfonyl}phenyl)sulfamoyl]phenyl}diazenyl)-N-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide",CCCC=1C(=O)C(\\C)=C(\\C)C(=O)C=1C(CCCCCCCCCCCCC)S(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)N=NC5\\C(=N/N(c4ccccc4)C5=O)C(=O)NC,CCCC=1C(=O)C(\C)=C(\C)C(=O)C=1C(CCCCCCCCCCCCC)S(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)N=NC5\C(=N/N(c4ccccc4)C5=O)C(=O)NC,"InChI=1/C48H60N6O8S2/c1-6-8-9-10-11-12-13-14-15-16-20-24-41(42-40(21-7-2)45(55)33(3)34(4)46(42)56)63(59,60)38-29-27-36(28-30-38)53-64(61,62)39-31-25-35(26-32-39)50-51-44-43(47(57)49-5)52-54(48(44)58)37-22-18-17-19-23-37/h17-19,22-23,25-32,41,44,53H,6-16,20-21,24H2,1-5H3,(H,49,57)",C48H60N6O8S2,,,,,,RRTWOLVAILJHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.187,282-732-2,84360-90-7,"N-(tert-butyl)-5-[[(dimethylamino)sulphonyl]amino]-4-[[4-[[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl]sulphonyl]phenyl]azo]-1-hydroxynaphthalene-2-sulphonamide","N-tert-butyl-4-[(4-{[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl]sulfonyl}phenyl)diazenyl]-5-[(dimethylsulfamoyl)amino]-1-hydroxynaphthalene-2-sulfonamide",O=C4C(/C)=C(/C)C(=O)C(\\CCC)=C4\\C(CCCCCCCCCCCCC)S(=O)(=O)c3ccc(N=Nc2cc(c(O)c1cccc(NS(=O)(=O)N(C)C)c12)S(=O)(=O)NC(C)(C)C)cc3,O=C4C(/C)=C(/C)C(=O)C(\CCC)=C4\C(CCCCCCCCCCCCC)S(=O)(=O)c3ccc(N=Nc2cc(c(O)c1cccc(NS(=O)(=O)N(C)C)c12)S(=O)(=O)NC(C)(C)C)cc3,"InChI=1/C47H67N5O9S3/c1-10-12-13-14-15-16-17-18-19-20-21-26-40(43-36(23-11-2)44(53)32(3)33(4)45(43)54)62(56,57)35-29-27-34(28-30-35)48-49-39-31-41(63(58,59)51-47(5,6)7)46(55)37-24-22-25-38(42(37)39)50-64(60,61)52(8)9/h22,24-25,27-31,40,50-51,55H,10-21,23,26H2,1-9H3",C47H67N5O9S3,,,,,,RGVSARPLXBIGQG-UHFFFAOYSA-N,,,,,,,,,,,
100.073.938,281-357-1,83929-64-0,"1,4-bis[[4-(1,1-dimethylethyl)phenyl]thio]-5,8-bis(phenylthio)anthraquinone","1,4-bis[(4-tert-butylphenyl)sulfanyl]-5,8-bis(phenylsulfanyl)-9,10-anthraquinone",CC(C)(C)c1ccc(Sc2ccc(Sc3ccc(cc3)C(C)(C)C)c4C(=O)c5c(Sc6ccccc6)ccc(Sc7ccccc7)c5C(=O)c24)cc1,CC(C)(C)c1ccc(Sc2ccc(Sc3ccc(cc3)C(C)(C)C)c4C(=O)c5c(Sc6ccccc6)ccc(Sc7ccccc7)c5C(=O)c24)cc1,"InChI=1/C46H40O2S4/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-28-38(52-34-23-19-30(20-24-34)46(4,5)6)42-41(37)43(47)39-35(49-31-13-9-7-10-14-31)25-26-36(40(39)44(42)48)50-32-15-11-8-12-16-32/h7-28H,1-6H3",C46H40O2S4,,,,,,GCKDMLWYMGYLTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.940,281-359-2,83929-66-2,3-(diethylamino)-4-methoxybenzenesulphonamide monohydrochloride,3-(diethylamino)-4-methoxybenzenesulfonamide hydrochloride,Cl.CCN(CC)c1cc(ccc1OC)S(=O)(=O)N,Cl.CCN(CC)c1cc(ccc1OC)S(=O)(=O)N,"InChI=1/C11H18N2O3S.ClH/c1-4-13(5-2)10-8-9(17(12,14)15)6-7-11(10)16-3;/h6-8H,4-5H2,1-3H3,(H2,12,14,15);1H",C11H18N2O3S.ClH,,,,,,YRJVOPYVEWGELK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.943,281-362-9,83929-69-5,"2,2',3,3',5,5',6,6'-octabromo-4-phenoxy-1,1'-biphenyl","2,2',3,3',5,5',6,6'-octabromo-4-phenoxybiphenyl",Brc1cc(Br)c(Br)c(c1Br)c2c(Br)c(Br)c(Oc3ccccc3)c(Br)c2Br,Brc1cc(Br)c(Br)c(c1Br)c2c(Br)c(Br)c(Oc3ccccc3)c(Br)c2Br,InChI=1/C18H6Br8O/c19-8-6-9(20)13(22)10(12(8)21)11-14(23)16(25)18(17(26)15(11)24)27-7-4-2-1-3-5-7/h1-6H,C18H6Br8O,,,,,,ROAUFAHZXBZKFC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.945,281-365-5,83929-71-9,Pentabromophenyl butyrate,pentabromophenyl butyrate,CCCC(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br,CCCC(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br,"InChI=1/C10H7Br5O2/c1-2-3-4(16)17-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3",C10H7Br5O2,,,,,,HQJQYDVEVAJKDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.666,273-354-9,68957-62-0,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide","N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide",CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H6F15NO2S/c1-2-25-28(26,27)9(23,24)7(18,19)5(14,15)3(10,11)4(12,13)6(16,17)8(20,21)22/h25H,2H2,1H3",C9H6F15NO2S,,,,,,WMOMXEHEPXLIAV-UHFFFAOYSA-N,,,,,,,,,,,
100.066.667,273-355-4,68957-63-1,N-ethyl-N-[(pentadecafluoroheptyl)sulphonyl]glycine,N-ethyl-N-[(pentadecafluoroheptyl)sulfonyl]glycine,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H8F15NO4S/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h2-3H2,1H3,(H,28,29)",C11H8F15NO4S,,,,,,IOQHTIQMCISFKB-UHFFFAOYSA-N,,,,,,,,,,,
100.066.671,273-360-1,68957-68-6,3-[(2-cyanoethyl)thio]propanesulphonic acid,3-[(2-cyanoethyl)sulfanyl]propane-1-sulfonic acid,OS(=O)(=O)CCCSCCC#N,OS(=O)(=O)CCCSCCC#N,"InChI=1/C6H11NO3S2/c7-3-1-4-11-5-2-6-12(8,9)10/h1-2,4-6H2,(H,8,9,10)",C6H11NO3S2,,,,,,GOXFWRFDYIWNJD-UHFFFAOYSA-N,,,,,,,,,,,
100.066.693,273-384-2,68958-98-5,Sodium 3-[[4-[(4-hydroxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate,sodium 3-({4-[(4-hydroxyphenyl)diazenyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].Oc4ccc(N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23)cc4,[Na+].Oc4ccc(N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23)cc4,"InChI=1/C22H16N4O4S.Na/c27-17-10-8-15(9-11-17)23-25-21-12-13-22(20-7-2-1-6-19(20)21)26-24-16-4-3-5-18(14-16)31(28,29)30;/h1-14,27H,(H,28,29,30);/q;+1/p-1",C22H16N4O4S.Na,,,,,,JERQGCCANBFCPP-UHFFFAOYSA-M,,,,,,,,,,,
100.066.701,273-393-1,68959-07-9,"1,3a,4,4a,7,7a,8,8a-octahydro-1,7-bis(trimethylsilyl)-4,8-methanobenzo[1,2-d:4,5-d']bistriazole","1,7-bis(trimethylsilyl)-1,3a,4,4a,7,7a,8,8a-octahydro-4,8-methanobenzo[1,2-d:4,5-d']bis[1,2,3]triazole",C[Si](C)(C)N1N=NC2C3CC(C4C3N=NN4[Si](C)(C)C)C12,C[Si](C)(C)N1N=NC2C3CC(C4C3N=NN4[Si](C)(C)C)C12,"InChI=1/C13H26N6Si2/c1-20(2,3)18-12-9-7-8(10(12)14-16-18)11-13(9)19(17-15-11)21(4,5)6/h8-13H,7H2,1-6H3",C13H26N6Si2,,,,,,YZHFDDYDQPKJBS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.702,273-394-7,68959-08-0,"N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]stearamide monoacetate","N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]octadecanamide acetate",CCCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C40H79N3O.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-38H2,1-2H3,(H,42,44);1H3,(H,3,4)",C40H79N3O.C2H4O2,,,,,,FXLFJBIVODKHBB-UHFFFAOYSA-N,,,,,,,,,,,
100.066.703,273-395-2,68959-09-1,"3,6'-methylenebisnaphthalene-2-sulphonic acid",3-[(6-sulfo-2-naphthyl)methyl]naphthalene-2-sulfonic acid,OS(=O)(=O)c1ccc2cc(Cc3cc4ccccc4cc3S(=O)(=O)O)ccc2c1,OS(=O)(=O)c1ccc2cc(Cc3cc4ccccc4cc3S(=O)(=O)O)ccc2c1,"InChI=1/C21H16O6S2/c22-28(23,24)20-8-7-17-9-14(5-6-18(17)12-20)10-19-11-15-3-1-2-4-16(15)13-21(19)29(25,26)27/h1-9,11-13H,10H2,(H,22,23,24)(H,25,26,27)",C21H16O6S2,,,,,,DPUKNSROARQMKW-UHFFFAOYSA-N,,,,,,,,,,,
100.066.704,273-396-8,68959-10-4,"Tribarium bis[4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate]","tribarium bis[4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate]",[Ba+2].[Ba+2].[Ba+2].Cc1cc(c(cc1Cl)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc3c(c1)cc(c(O)c3N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O)S([O-])(=O)=O,[Ba+2].[Ba+2].[Ba+2].Cc1cc(c(cc1Cl)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc3c(c1)cc(c(O)c3N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/2C17H13ClN2O10S3.3Ba/c2*1-8-4-14(32(25,26)27)13(7-12(8)18)19-20-16-11-3-2-10(31(22,23)24)5-9(11)6-15(17(16)21)33(28,29)30;;;/h2*2-7,21H,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;;3*+2/p-6",C17H13ClN2O10S3.3/2Ba,,,,,,XNQTVNKHGQNOQM-UHFFFAOYSA-H,,,,,,,,,,,
100.067.145,273-880-9,69121-15-9,"Trisodium 2-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]toluene-3,5-disulphonate","trisodium 4-({6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-5-methylbenzene-1,3-disulfonate",[Na+].[Na+].[Na+].Clc4c(Nc2cc3cc(c(N=Nc1c(cc(cc1C)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(F)nc4F,[Na+].[Na+].[Na+].Clc4c(Nc2cc3cc(c(N=Nc1c(cc(cc1C)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(F)nc4F,"InChI=1/C21H14ClF2N5O10S3.3Na/c1-8-4-11(40(31,32)33)7-14(42(37,38)39)16(8)28-29-17-13(41(34,35)36)6-9-5-10(2-3-12(9)18(17)30)25-20-15(22)19(23)26-21(24)27-20;;;/h2-7,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3",C21H14ClF2N5O10S3.3Na,,,,,,IUUGODBEMSMQCX-UHFFFAOYSA-K,,,,,,,,,,,
100.067.146,273-881-4,69121-20-6,Cadmium(2+) 12-hydroxyoctadecanoate,cadmium bis(12-hydroxyoctadecanoate),[Cd+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/2C18H36O3.Cd/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2",C18H36O3.1/2Cd,,,,,,GZAFZVLKVLWJJD-UHFFFAOYSA-L,,,,,,,,,,,
100.067.150,273-886-1,69122-46-9,Isobutyl 2-bromopropionate,isobutyl 2-bromopropanoate,CC(C)COC(=O)C(C)Br,CC(C)COC(=O)C(C)Br,"InChI=1/C7H13BrO2/c1-5(2)4-10-7(9)6(3)8/h5-6H,4H2,1-3H3",C7H13BrO2,,,,,,MAYJUJUXGCDPPX-UHFFFAOYSA-N,,,,,,,,,,,
100.066.955,273-671-2,68992-15-4,Dibutyl (2-hydroxyhexadecyl)phosphonate,dibutyl (2-hydroxyhexadecyl)phosphonate,CCCCCCCCCCCCCCC(O)CP(=O)(OCCCC)OCCCC,CCCCCCCCCCCCCCC(O)CP(=O)(OCCCC)OCCCC,"InChI=1/C24H51O4P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-24(25)23-29(26,27-21-8-5-2)28-22-9-6-3/h24-25H,4-23H2,1-3H3",C24H51O4P,,,,,,WKAMPYICUVBLIA-UHFFFAOYSA-N,,,,,,,,,,,
100.066.958,273-674-9,68998-30-1,Cerium tripotassium bis(phosphate),cerium tripotassium bis(phosphate),[K+].[K+].[K+].[Ce+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[K+].[K+].[K+].[Ce+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Ce.3K.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6",Ce.2H3O4P.3K,,,,,,ULHZWTVGOMRTNQ-UHFFFAOYSA-H,,,,,,,,,,,
100.066.961,273-678-0,69001-10-1,Ethyl 1-acetylpiperidine-4-carboxylate,ethyl 1-acetylpiperidine-4-carboxylate,CCOC(=O)C1CCN(CC1)C(=O)C,CCOC(=O)C1CCN(CC1)C(=O)C,"InChI=1/C10H17NO3/c1-3-14-10(13)9-4-6-11(7-5-9)8(2)12/h9H,3-7H2,1-2H3",C10H17NO3,,,,,,SAIQQCUEISMNQC-UHFFFAOYSA-N,,,,,,,,,,,
100.066.962,273-679-6,69001-55-4,"Sodium 1,4-bis[2-[(1-oxooctadecyl)amino]ethyl] sulphonatosuccinate","sodium 18,23,26,31-tetraoxo-22,27-dioxa-19,30-diazaoctatetracontane-24-sulfonate",[Na+].CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)OCCNC(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)OCCNC(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C44H84N2O9S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-35-37-54-43(49)39-40(56(51,52)53)44(50)55-38-36-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h40H,3-39H2,1-2H3,(H,45,47)(H,46,48)(H,51,52,53);/q;+1/p-1",C44H84N2O9S.Na,,,,,,UZRLUJCBJDEURR-UHFFFAOYSA-M,,,,,,,,,,,
100.069.856,276-865-5,72814-29-0,"Ethyl 3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoate","ethyl 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoate",CCOC(=O)CCCCCCC1N(CCC(O)C2CCCCC2)C(=O)NC1=O,CCOC(=O)CCCCCCC1N(CCC(O)C2CCCCC2)C(=O)NC1=O,"InChI=1/C21H36N2O5/c1-2-28-19(25)13-9-4-3-8-12-17-20(26)22-21(27)23(17)15-14-18(24)16-10-6-5-7-11-16/h16-18,24H,2-15H2,1H3,(H,22,26,27)",C21H36N2O5,,,,,,XLZWPJLGBYQJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.868,276-878-6,72828-63-8,2-[[4-[(5-bromo-2-cyano-3-nitrophenyl)azo]-3-methylphenyl]butylamino]ethyl acetate,2-[{4-[(5-bromo-2-cyano-3-nitrophenyl)diazenyl]-3-methylphenyl}(butyl)amino]ethyl acetate,Brc2cc(c(C#N)c(N=Nc1ccc(cc1C)N(CCCC)CCOC(C)=O)c2)[N+]([O-])=O,Brc2cc(c(C#N)c(N=Nc1ccc(cc1C)N(CCCC)CCOC(C)=O)c2)[N+]([O-])=O,"InChI=1/C22H24BrN5O4/c1-4-5-8-27(9-10-32-16(3)29)18-6-7-20(15(2)11-18)25-26-21-12-17(23)13-22(28(30)31)19(21)14-24/h6-7,11-13H,4-5,8-10H2,1-3H3",C22H24BrN5O4,,,,,,HMYWWVJVYDEIRK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.869,276-879-1,72828-64-9,"[[4-[(2,6-dicyano-4-nitrophenyl)azo]-3-methylphenyl]amino]hexyl acetate","1-({4-[(2,6-dicyano-4-nitrophenyl)diazenyl]-3-methylphenyl}amino)hexyl acetate",CC(=O)OC(CCCCC)Nc2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)C#N)c(C)c2,CC(=O)OC(CCCCC)Nc2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)C#N)c(C)c2,"InChI=1/C23H24N6O4/c1-4-5-6-7-22(33-16(3)30)26-19-8-9-21(15(2)10-19)27-28-23-17(13-24)11-20(29(31)32)12-18(23)14-25/h8-12,22,26H,4-7H2,1-3H3",C23H24N6O4,,,,,,KHKLXDUIVYHXFU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.871,276-881-2,72828-67-2,"Potassium sodium 7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonate","potassium sodium 7-hydroxy-8-{[4-(1-{4-[(4-hydroxyphenyl)diazenyl]phenyl}cyclohexyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[K+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S([O-])(=O)=O,[K+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S([O-])(=O)=O,"InChI=1/C34H30N4O8S2.K.Na/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46;;/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C34H30N4O8S2.xK.xNa,,,,,,FTZAXOYOWGABAK-UHFFFAOYSA-L,,,,,,,,,,,
100.065.692,272-283-0,68784-92-9,"9,10-dihydro-2-[(p-benzylphenyl)methyl]anthracene","2-(4-benzylbenzyl)-9,10-dihydroanthracene",C(c1ccccc1)c2ccc(Cc3ccc4Cc5ccccc5Cc4c3)cc2,C(c1ccccc1)c2ccc(Cc3ccc4Cc5ccccc5Cc4c3)cc2,"InChI=1/C28H24/c1-2-6-21(7-3-1)16-22-10-12-23(13-11-22)17-24-14-15-27-19-25-8-4-5-9-26(25)20-28(27)18-24/h1-15,18H,16-17,19-20H2",C28H24,,,,,,FPPBVQWDFFKYBB-UHFFFAOYSA-N,,,,,,,,,,,
100.065.700,272-291-4,68785-06-8,"2,5-diethoxy-4-(pyrrolidinyl)benzenediazonium tetrachlorozincate (2:1)","bis(2,5-diethoxy-4-pyrrolidin-1-ylbenzenediazonium) tetrachlorozincate(2-)",CCOc1cc(N2CCCC2)c(OCC)cc1[N+]#N.CCOc3cc(N4CCCC4)c(OCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc(N2CCCC2)c(OCC)cc1[N+]#N.CCOc3cc(N4CCCC4)c(OCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H20N3O2.4ClH.Zn/c2*1-3-18-13-10-12(17-7-5-6-8-17)14(19-4-2)9-11(13)16-15;;;;;/h2*9-10H,3-8H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H20N3O2.Cl4Zn/c2*1-3-18-13-10-12(17-7-5-6-8-17)14(19-4-2)9-11(13)16-15;1-5(2,3)4/h2*9-10H,3-8H2,1-2H3;/q2*+1;-2",C14H20N3O2.1/2Cl4Zn,,,,,,BFEKCWLYQJPPDI-UHFFFAOYSA-J,,,,,,,,,,,
100.065.707,272-299-8,68797-46-6,2-butoxyethyl 2-chloropropionate,2-butoxyethyl 2-chloropropanoate,CCCCOCCOC(=O)C(C)Cl,CCCCOCCOC(=O)C(C)Cl,"InChI=1/C9H17ClO3/c1-3-4-5-12-6-7-13-9(11)8(2)10/h8H,3-7H2,1-2H3",C9H17ClO3,,,,,,XRATVFQSBIVRAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.462,274-232-8,69943-68-6,S-methyl O-(2-methylpropyl) dithiocarbonate,O-isobutyl S-methyl dithiocarbonate,CSC(=S)OCC(C)C,CSC(=S)OCC(C)C,"InChI=1/C6H12OS2/c1-5(2)4-7-6(8)9-3/h5H,4H2,1-3H3",C6H12OS2,,,,,,HAWQDXROBHHWFI-UHFFFAOYSA-N,,,,,,,,,,,
100.067.467,274-238-0,69966-61-6,"Sodium hydrogen 4-aminonaphthalene-2,7-disulphonate","sodium hydrogen 4-aminonaphthalene-2,7-disulfonate",[Na+].Nc1cc(cc2cc(ccc12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc(cc2cc(ccc12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2",C10H9NO6S2.Na,,,,,,TWTKVDSNHGHFQW-UHFFFAOYSA-L,,,,,,,,,,,
100.067.468,274-239-6,69975-86-6,Doxofylline,"7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O,CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O,"InChI=1/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3",C11H14N4O4,,,,,,HWXIGFIVGWUZAO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.478,274-250-6,70007-83-9,Ethyl 4-methyl-2-oxo-2H-pyran-6-acetate,ethyl (4-methyl-2-oxo-2H-pyran-6-yl)acetate,CCOC(=O)CC1=CC(=CC(=O)O1)C,CCOC(=O)CC1=CC(=CC(=O)O1)C,"InChI=1/C10H12O4/c1-3-13-9(11)6-8-4-7(2)5-10(12)14-8/h4-5H,3,6H2,1-2H3",C10H12O4,,,,,,HOAPSQMFSMCEOX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.484,274-256-9,70021-38-4,N-octadecyl-L-aspartic acid,N-octadecyl-L-aspartic acid,CCCCCCCCCCCCCCCCCCN[C@@H](CC(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCCN[C@@H](CC(=O)O)C(=O)O,"InChI=1/C22H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22(26)27)19-21(24)25/h20,23H,2-19H2,1H3,(H,24,25)(H,26,27)",C22H43NO4,,,,,,WAFABZJWXBXYNL-FQEVSTJZSA-N,,,,,,,,,,,
100.067.487,274-260-0,70024-57-6,"9-Octadecenoic acid (Z)-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol","2,2-bis(hydroxymethyl)butyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C24H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-24(4-2,20-25)21-26/h11-12,25-26H,3-10,13-22H2,1-2H3",-,,,,,,WAZOXQOFCQKLFT-QXMHVHEDSA-N,,,,,,,,,,,
100.069.242,276-189-0,71929-17-4,"Sodium 1-(2-carboxyethyl)-2-(heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium hydroxide",-,[Na+].[OH-].OCC[N+]1(CCC(O)=O)CC\\N=C1\\C=CCCCCCCCCCCCCCCC,[Na+].[OH-].OCC[N+]1(CCC(O)=O)CC\N=C1\C=CCCCCCCCCCCCCCCC,"InChI=1/C25H46N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-21-27(24,22-23-28)20-18-25(29)30;;/h16-17,28H,2-15,18-23H2,1H3;;1H2/q;+1;",C25H47N2O3.HO.Na,,,,,,LYGPISBMVMWXQI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.243,276-190-6,71929-18-5,Sodium hydroxy(tridecyloxy)propanesulphonate,sodium 1-hydroxy-1-(tridecyloxy)propane-1-sulfonate,[Na+].CCCCCCCCCCCCCOC(O)(CC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCOC(O)(CC)S(=O)(=O)[O-],"InChI=1/C16H34O5S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-21-16(17,4-2)22(18,19)20;/h17H,3-15H2,1-2H3,(H,18,19,20);/q;+1/p-1",C16H34O5S.Na,,,,,,CLWYVQPHQYLTBP-UHFFFAOYSA-M,,,,,,,,,,,
100.069.248,276-195-3,71929-23-2,Thallium(3+) triformate,thallium(3+) triformate,[Tl+3].[O-]C=O.[O-]C=O.[O-]C=O,[Tl+3].[O-]C=O.[O-]C=O.[O-]C=O,"InChI=1/3CH2O2.Tl/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3",CH2O2.1/3Tl,,,,,,JAFVUPNQLHBQOV-UHFFFAOYSA-K,,,,,,,,,,,
100.069.249,276-196-9,71929-24-3,Methyl 5-(2-hydroxyethyl)thiazol-4-acetate,"methyl [5-(2-hydroxyethyl)-1,3-thiazol-4-yl]acetate",COC(=O)Cc1ncsc1CCO,COC(=O)Cc1ncsc1CCO,"InChI=1/C8H11NO3S/c1-12-8(11)4-6-7(2-3-10)13-5-9-6/h5,10H,2-4H2,1H3",C8H11NO3S,,,,,,UBLOSGXPWGPXLC-UHFFFAOYSA-N,,,,,,,,,,,
100.064.565,271-043-2,68514-41-0,"Ketones, C12-branched","2,9-dimethyldecan-5-one",CC(C)CCCC(=O)CCC(C)C,CC(C)CCCC(=O)CCC(C)C,"InChI=1/C12H24O/c1-10(2)6-5-7-12(13)9-8-11(3)4/h10-11H,5-9H2,1-4H3",-,,,,,,DCKZDPOUHNXIBI-UHFFFAOYSA-N,,,,,,,,,,,
100.067.881,274-693-5,70609-63-1,Sodium 1-lauroyl-L-prolinate,sodium 1-dodecanoylpyrrolidine-2-carboxylate,[Na+].CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-],"InChI=1/C17H31NO3.Na/c1-2-3-4-5-6-7-8-9-10-13-16(19)18-14-11-12-15(18)17(20)21;/h15H,2-14H2,1H3,(H,20,21);/q;+1/p-1",C17H31NO3.Na,,,,,,SPZDDBQUYSHZDF-RSAXXLAASA-M,,,,,,,,,,,
100.067.883,274-695-6,70609-66-4,Sodium 2-[(1-oxododecyl)amino]ethanesulphonate,sodium 2-(dodecanoylamino)ethanesulfonate,[Na+].CCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-],[Na+].CCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-],"InChI=1/C14H29NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1",C14H29NO4S.Na,,,,,,BCISDMIQYBCHAT-UHFFFAOYSA-M,,,,,,,,,,,
100.073.949,281-369-7,83929-75-3,"3,3'-[(2,3,5,6-tetrabromo-1,4-phenylene)bis(oxy)]bispropane-1,2-diol","3,3'-[(2,3,5,6-tetrabromo-1,4-phenylene)bis(oxy)]dipropane-1,2-diol",OCC(O)COc1c(Br)c(Br)c(OCC(O)CO)c(Br)c1Br,OCC(O)COc1c(Br)c(Br)c(OCC(O)CO)c(Br)c1Br,"InChI=1/C12H14Br4O6/c13-7-9(15)12(22-4-6(20)2-18)10(16)8(14)11(7)21-3-5(19)1-17/h5-6,17-20H,1-4H2",C12H14Br4O6,,,,,,ROSDSUUTOMDJRI-UHFFFAOYSA-N,,,,,,,,,,,
100.073.958,281-379-1,83930-05-6,"5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride","5-(dimethylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium chloride",[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C,[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C,"InChI=1/C13H19N6S.ClH/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;/h6-9H,1-5H3;1H/q+1;/p-1",C13H19N6S.Cl,,,,,,XHBIKWBJNHJIOV-UHFFFAOYSA-M,,,,,,,,,,,
100.073.959,281-380-7,83930-06-7,"5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride, compound with zinc dichloride","5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride, compound with zinc dichloride",[Zn+2].[Cl-].[Cl-].[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C,[Zn+2].[Cl-].[Cl-].[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C,"InChI=1/C13H19N6S.3ClH.Zn/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;;;;/h6-9H,1-5H3;3*1H;/q+1;;;;+2/p-3",C13H19N6S.xCl2Zn.Cl,,,,,,BXTWGAGYWLZORL-UHFFFAOYSA-K,,,,,,,,,,,
100.073.966,281-388-0,83949-28-4,"N,N'-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl)]bis[4-chlorobenzamide]","N,N'-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dioxo-9,10-dihydroanthracene-3,1-diyl)]bis(4-chlorobenzamide)",Nc1c(cc(NC(=O)c2ccc(Cl)cc2)c3C(=O)c4ccccc4C(=O)c13)c5oc(nn5)c6cc(NC(=O)c7ccc(Cl)cc7)c8C(=O)c9ccccc9C(=O)c8c6N,Nc1c(cc(NC(=O)c2ccc(Cl)cc2)c3C(=O)c4ccccc4C(=O)c13)c5oc(nn5)c6cc(NC(=O)c7ccc(Cl)cc7)c8C(=O)c9ccccc9C(=O)c8c6N,"InChI=1/C44H24Cl2N6O7/c45-21-13-9-19(10-14-21)41(57)49-29-17-27(35(47)33-31(29)37(53)23-5-1-3-7-25(23)39(33)55)43-51-52-44(59-43)28-18-30(50-42(58)20-11-15-22(46)16-12-20)32-34(36(28)48)40(56)26-8-4-2-6-24(26)38(32)54/h1-18H,47-48H2,(H,49,57)(H,50,58)",C44H24Cl2N6O7,,,,,,DKHDUFPNHRWZOW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.968,281-390-1,83949-31-9,"(2,5,6,10,11-pentabromocyclododecyl)triphenylphosphonium bromide","(2,5,6,10,11-pentabromocyclododecyl)(triphenyl)phosphonium bromide",[Br-].BrC1CCCC(Br)C(Br)CC(C(Br)CCC1Br)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,[Br-].BrC1CCCC(Br)C(Br)CC(C(Br)CCC1Br)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C30H33Br5P.BrH/c31-25-17-10-18-26(32)29(35)21-30(28(34)20-19-27(25)33)36(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24;/h1-9,11-16,25-30H,10,17-21H2;1H/q+1;/p-1",C30H33Br5P.Br,,,,,,PLAPVJLKXWXNOF-UHFFFAOYSA-M,,,,,,,,,,,
100.073.970,281-392-2,83949-33-1,Ethyl N-acetyl-N-phenylglycinate,ethyl N-acetyl-N-phenylglycinate,CCOC(=O)CN(C(=O)C)c1ccccc1,CCOC(=O)CN(C(=O)C)c1ccccc1,"InChI=1/C12H15NO3/c1-3-16-12(15)9-13(10(2)14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3",C12H15NO3,,,,,,TWDRHDKGILAXDB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.974,281-396-4,83949-37-5,4-methyl-4-phenylpiperidinium chloride,4-methyl-4-phenylpiperidinium chloride,[Cl-].CC1(CC[NH2+]CC1)c2ccccc2,[Cl-].CC1(CC[NH2+]CC1)c2ccccc2,"InChI=1/C12H17N.ClH/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11;/h2-6,13H,7-10H2,1H3;1H",C12H17N.ClH,,,,,,SZGHKBZVNSTOSA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.975,281-398-5,83949-38-6,4-methoxy-4-phenylpiperidinium chloride,4-methoxy-4-phenylpiperidinium chloride,[Cl-].COC1(CC[NH2+]CC1)c2ccccc2,[Cl-].COC1(CC[NH2+]CC1)c2ccccc2,"InChI=1/C12H17NO.ClH/c1-14-12(7-9-13-10-8-12)11-5-3-2-4-6-11;/h2-6,13H,7-10H2,1H3;1H",C12H17NO.ClH,,,,,,PPXQKVKQJDWZFN-UHFFFAOYSA-N,,,,,,,,,,,
100.072.045,279-274-0,79806-85-2,1-[(phosphonooxy)methyl]ethylene dilaurate,"3-(phosphonooxy)propane-1,2-diyl didodecanoate",CCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCC,"InChI=1/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)",C27H53O8P,,,,,,OKLASJZQBDJAPH-UHFFFAOYSA-N,,,,,,,,,,,
100.072.046,279-275-6,79809-21-5,2-phenylpropenyl acetate,2-phenylprop-1-en-1-yl acetate,CC(=O)OC=C(C)c1ccccc1,CC(=O)OC=C(C)c1ccccc1,"InChI=1/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3",C11H12O2,,,,,,CLCGEEANBAUENX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.050,279-279-8,79817-49-5,N-[4-[[(4-chloro-3-nitrophenyl)sulphonyl]amino]phenyl]acetamide,N-(4-{[(4-chloro-3-nitrophenyl)sulfonyl]amino}phenyl)acetamide,CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])cc1,CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])cc1,"InChI=1/C14H12ClN3O5S/c1-9(19)16-10-2-4-11(5-3-10)17-24(22,23)12-6-7-13(15)14(8-12)18(20)21/h2-8,17H,1H3,(H,16,19)",C14H12ClN3O5S,,,,,,FAGBGCWSFWSOHI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.051,279-280-3,79817-50-8,"N,N'-(2,5-dimethyl-1,4-phenylene)bis[N-methylacetamide]","N,N'-(2,5-dimethyl-1,4-phenylene)bis(N-methylacetamide)",CN(C(=O)C)c1cc(C)c(cc1C)N(C)C(=O)C,CN(C(=O)C)c1cc(C)c(cc1C)N(C)C(=O)C,"InChI=1/C14H20N2O2/c1-9-7-14(16(6)12(4)18)10(2)8-13(9)15(5)11(3)17/h7-8H,1-6H3",C14H20N2O2,,,,,,SQKGCZLMVUAIQE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.057,279-287-1,79817-56-4,"1,4-bis[(2,4-diethyl-6-methylphenyl)amino]anthraquinone","1,4-bis[(2,4-diethyl-6-methylphenyl)amino]-9,10-anthraquinone",CCc1cc(C)c(Nc2ccc(Nc3c(C)cc(CC)cc3CC)c4C(=O)c5ccccc5C(=O)c24)c(CC)c1,CCc1cc(C)c(Nc2ccc(Nc3c(C)cc(CC)cc3CC)c4C(=O)c5ccccc5C(=O)c24)c(CC)c1,"InChI=1/C36H38N2O2/c1-7-23-17-21(5)33(25(9-3)19-23)37-29-15-16-30(38-34-22(6)18-24(8-2)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3",C36H38N2O2,,,,,,NKAUFZJYJFUFGD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.174,273-912-1,69205-10-3,Disodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(o-tolyl)azo]naphthalene-2-sulphonate,disodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1C)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O,[Na+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1C)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O,"InChI=1/C35H28N6O10S2.2Na/c1-19-7-3-4-8-26(19)38-40-31-29(52(45,46)47)17-20-15-22(11-13-24(20)33(31)42)36-35(44)37-23-12-14-25-21(16-23)18-30(53(48,49)50)32(34(25)43)41-39-27-9-5-6-10-28(27)51-2;;/h3-18,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C35H28N6O10S2.2Na,,,,,,LKRUCXOQQYNEOR-UHFFFAOYSA-L,,,,,,,,,,,
100.067.178,273-916-3,69222-05-5,Non-6-yn-1-ol,non-6-yn-1-ol,CCC#CCCCCCO,CCC#CCCCCCO,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2,5-9H2,1H3",C9H16O,,,,,,SVZWPZCFOBVELO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.181,273-920-5,69226-44-4,"8,8-dioctyl-1,4-dioxa-7,9-dithia-8-stannacycloundecane-5,11-dione","5,5-dioctyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione",CCCCCCCC[Sn]1(CCCCCCCC)SCC(=O)OCCOC(=O)CS1,CCCCCCCC[Sn]1(CCCCCCCC)SCC(=O)OCCOC(=O)CS1,"InChI=1/2C8H17.C6H10O4S2.Sn/c2*1-3-5-7-8-6-4-2;7-5(3-11)9-1-2-10-6(8)4-12;/h2*1,3-8H2,2H3;11-12H,1-4H2;/q;;;+2/p-2/rC22H42O4S2Sn/c1-3-5-7-9-11-13-17-29(18-14-12-10-8-6-4-2)27-19-21(23)25-15-16-26-22(24)20-28-29/h3-20H2,1-2H3",C22H42O4S2Sn,,,,,,XTFWXVDCMIKXBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.068.592,275-475-2,71463-37-1,"N-(4-chloro-2,5-diethoxyphenyl)-3-oxobutyramide","N-(4-chloro-2,5-diethoxyphenyl)-3-oxobutanamide",CCOc1cc(NC(=O)CC(=O)C)c(OCC)cc1Cl,CCOc1cc(NC(=O)CC(=O)C)c(OCC)cc1Cl,"InChI=1/C14H18ClNO4/c1-4-19-12-8-11(16-14(18)6-9(3)17)13(20-5-2)7-10(12)15/h7-8H,4-6H2,1-3H3,(H,16,18)",C14H18ClNO4,,,,,,MNMSFXKWBGWENQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.595,275-478-9,71463-40-6,N-(5-hydroxy-2-methylphenyl)acetamide,N-(5-hydroxy-2-methylphenyl)acetamide,CC(=O)Nc1cc(O)ccc1C,CC(=O)Nc1cc(O)ccc1C,"InChI=1/C9H11NO2/c1-6-3-4-8(12)5-9(6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)",C9H11NO2,,,,,,MHQYNOHBRKPLGX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.598,275-482-0,71463-44-0,Magnesium N-acetyl-DL-methionate (1:2),magnesium bis[2-acetamido-4-(methylsulfanyl)butanoate],[MgH2].CSCC[C@H](NC(=O)C)C(=O)[O-].CSCC[C@H](NC(=O)C)C(=O)[O-],[MgH2].CSCC[C@H](NC(=O)C)C(=O)[O-].CSCC[C@H](NC(=O)C)C(=O)[O-],"InChI=1/2C7H13NO3S.Mg.2H/c2*1-5(9)8-6(7(10)11)3-4-12-2;;;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);;;/q;;+2;;/p-2/r2C7H13NO3S.H2Mg/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);1H2/q;;+2/p-2",C7H13NO3S.1/2Mg,,,,,,COESTLYYWGCSJW-KRJWQGBVSA-L,,,,,,,,,,,
100.068.610,275-495-1,71463-56-4,"1-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]urea","1-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]urea",CN(C)CCCNC(=O)Nc1c(Cl)cccc1Cl,CN(C)CCCNC(=O)Nc1c(Cl)cccc1Cl,"InChI=1/C12H17Cl2N3O/c1-17(2)8-4-7-15-12(18)16-11-9(13)5-3-6-10(11)14/h3,5-6H,4,7-8H2,1-2H3,(H2,15,16,18)",C12H17Cl2N3O,,,,,,CAVWHPKIQWWGIN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.611,275-496-7,71463-57-5,"1-(2,6-dichlorophenyl)-3-isopropylurea","1-(2,6-dichlorophenyl)-3-isopropylurea",CC(C)NC(=O)Nc1c(Cl)cccc1Cl,CC(C)NC(=O)Nc1c(Cl)cccc1Cl,"InChI=1/C10H12Cl2N2O/c1-6(2)13-10(15)14-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H2,13,14,15)",C10H12Cl2N2O,,,,,,VMPFTLYFFVBBES-UHFFFAOYSA-N,,,,,,,,,,,
100.068.615,275-500-7,71463-70-2,"10-(diethylamino)-5-methoxyspiro[7H-benzo[c]xanthene-7,1'(3'H)-isobenzofuran]-3'-one","10'-(diethylamino)-5'-methoxy-3H-spiro[2-benzofuran-1,7'-benzo[c]xanthen]-3-one",CCN(CC)c1ccc2c(Oc3c(cc(OC)c4ccccc34)C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3c(cc(OC)c4ccccc34)C25OC(=O)c6ccccc56)c1,"InChI=1/C29H25NO4/c1-4-30(5-2)18-14-15-23-26(16-18)33-27-20-11-7-6-10-19(20)25(32-3)17-24(27)29(23)22-13-9-8-12-21(22)28(31)34-29/h6-17H,4-5H2,1-3H3",C29H25NO4,,,,,,NSBWOAPPZAYBJV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.616,275-501-2,71477-11-7,"Methyl hydroxy-3,4-dimethylbenzoate","methyl 2-hydroxy-3,4-dimethylbenzoate",COC(=O)c1ccc(C)c(C)c1O,COC(=O)c1ccc(C)c(C)c1O,"InChI=1/C10H12O3/c1-6-4-5-8(10(12)13-3)9(11)7(6)2/h4-5,11H,1-3H3",C10H12O3,,,,,,HXMXYXKWIPFMAT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.851,270-257-3,68413-86-5,4-(diethylamino)-2-ethoxybenzenediazonium hexafluorophosphate,4-(diethylamino)-2-ethoxybenzenediazonium hexafluorophosphate,CCOc1cc(ccc1[N+]#N)N(CC)CC.F[P-](F)(F)(F)(F)F,CCOc1cc(ccc1[N+]#N)N(CC)CC.F[P-](F)(F)(F)(F)F,"InChI=1/C12H18N3O.F6P/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;1-7(2,3,4,5)6/h7-9H,4-6H2,1-3H3;/q+1;-1",C12H18N3O.F6P,,,,,,FDLDJYIQUMDJDF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.852,270-258-9,68413-87-6,2-[2-chloro-2-(2-thienyl)vinyl]-3-ethyl-5-methoxybenzoselenazolium chloride,"2-[2-chloro-2-(2-thienyl)vinyl]-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride",[Cl-].CC[N+]1=C([Se]c2ccc(OC)cc12)\\C=C(/Cl)\\c3cccs3,[Cl-].CC[N+]1=C([Se]c2ccc(OC)cc12)\C=C(/Cl)\c3cccs3,"InChI=1/C16H15ClNOSSe.ClH/c1-3-18-13-9-11(19-2)6-7-15(13)21-16(18)10-12(17)14-5-4-8-20-14;/h4-10H,3H2,1-2H3;1H/q+1;/p-1",C16H15ClNOSSe.Cl,,,,,,QKAIGMPYDMMLEB-BBJSDXRSSA-M,,,,,,,,,,,
100.065.718,272-311-1,68797-70-6,4-tert-butylcyclohexyl propionate,4-tert-butylcyclohexyl propionate,CCC(=O)OC1CCC(CC1)C(C)(C)C,CCC(=O)OC1CCC(CC1)C(C)(C)C,"InChI=1/C13H24O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,QYJZYJNCDKAFJR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.387,276-348-4,72109-82-1,Nonyl phenylacetate,nonyl phenylacetate,CCCCCCCCCOC(=O)Cc1ccccc1,CCCCCCCCCOC(=O)Cc1ccccc1,"InChI=1/C17H26O2/c1-2-3-4-5-6-7-11-14-19-17(18)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3",C17H26O2,,,,,,QICYMLLAPDCBNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.398,276-361-5,72138-96-6,"11-(anthraquinon-1-ylamino)anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione","11-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]anthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15(16H)-trione",O=C1c2ccccc2C(=O)c3c(Nc4cccc5C(=O)c6c7Nc8ccc9c%10ccccc%10C(=O)c%11ccc(c7ccc6C(=O)c45)c8c9%11)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4cccc5C(=O)c6c7Nc8ccc9c%10ccccc%10C(=O)c%11ccc(c7ccc6C(=O)c45)c8c9%11)cccc13,"InChI=1/C45H22N2O5/c48-41-25-8-2-1-7-21(25)22-19-20-34-36-23(15-17-30(41)35(22)36)24-16-18-31-39(40(24)47-34)45(52)29-12-6-14-33(38(29)44(31)51)46-32-13-5-11-28-37(32)43(50)27-10-4-3-9-26(27)42(28)49/h1-20,46-47H",C45H22N2O5,,,,,,WNMWNEGWYZNORK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.780,273-479-9,68975-81-5,"Dioctyl 2,2,4-trimethyladipate","dioctyl 2,2,4-trimethylhexanedioate",CCCCCCCCOC(=O)CC(C)CC(C)(C)C(=O)OCCCCCCCC,CCCCCCCCOC(=O)CC(C)CC(C)(C)C(=O)OCCCCCCCC,"InChI=1/C25H48O4/c1-6-8-10-12-14-16-18-28-23(26)20-22(3)21-25(4,5)24(27)29-19-17-15-13-11-9-7-2/h22H,6-21H2,1-5H3",C25H48O4,,,,,,PWGKFKFFANDJNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.720,272-313-2,68797-72-8,Ethyl 4-methyl-2-oxo-3-pentylcyclopent-3-enecarboxylate,ethyl 4-methyl-2-oxo-3-pentylcyclopent-3-ene-1-carboxylate,CCCCCC1=C(C)CC(C(=O)OCC)C1=O,CCCCCC1=C(C)CC(C(=O)OCC)C1=O,"InChI=1/C14H22O3/c1-4-6-7-8-11-10(3)9-12(13(11)15)14(16)17-5-2/h12H,4-9H2,1-3H3",C14H22O3,,,,,,MBBJMOHAHVDOES-UHFFFAOYSA-N,,,,,,,,,,,
100.065.733,272-327-9,68808-55-9,"1,5-dihydroxy-4-[(1-methylethyl)amino]-8-nitroanthraquinone","1,5-dihydroxy-4-(isopropylamino)-8-nitro-9,10-anthraquinone",CC(C)Nc1ccc(O)c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-],CC(C)Nc1ccc(O)c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-],"InChI=1/C17H14N2O6/c1-7(2)18-8-3-5-10(20)14-12(8)16(22)15-11(21)6-4-9(19(24)25)13(15)17(14)23/h3-7,18,20-21H,1-2H3",C17H14N2O6,,,,,,QUGVPYUFTHJBAS-UHFFFAOYSA-N,,,,,,,,,,,
100.065.734,272-328-4,68808-67-3,"2,2'-(1H-isoindole-1,3(2H)-diylidene)bis[2-cyano-N-(3,4-dichlorophenyl)acetamide]","2,2'-(1H-isoindole-1,3(2H)-diylidene)bis[2-cyano-N-(3,4-dichlorophenyl)acetamide]",Clc1ccc(cc1Cl)NC(=O)C(C#N)=C2NC(c3ccccc23)=C(C#N)C(=O)Nc4ccc(Cl)c(Cl)c4,Clc1ccc(cc1Cl)NC(=O)C(C#N)=C2NC(c3ccccc23)=C(C#N)C(=O)Nc4ccc(Cl)c(Cl)c4,"InChI=1/C26H13Cl4N5O2/c27-19-7-5-13(9-21(19)29)33-25(36)17(11-31)23-15-3-1-2-4-16(15)24(35-23)18(12-32)26(37)34-14-6-8-20(28)22(30)10-14/h1-10,35H,(H,33,36)(H,34,37)",C26H13Cl4N5O2,,,,,,KDQWPYUIMLWRQI-UHFFFAOYSA-N,,,,,,,,,,,
100.065.736,272-331-0,68808-70-8,"2,2'-(1H-isoindole-1,3(2H)-diylidene)bis[N-(4-chlorophenyl)-2-cyanoacetamide]","2,2'-(1H-isoindole-1,3(2H)-diylidene)bis[N-(4-chlorophenyl)-2-cyanoacetamide]",Clc1ccc(cc1)NC(=O)C(C#N)=C2NC(c3ccccc23)=C(C#N)C(=O)Nc4ccc(Cl)cc4,Clc1ccc(cc1)NC(=O)C(C#N)=C2NC(c3ccccc23)=C(C#N)C(=O)Nc4ccc(Cl)cc4,"InChI=1/C26H15Cl2N5O2/c27-15-5-9-17(10-6-15)31-25(34)21(13-29)23-19-3-1-2-4-20(19)24(33-23)22(14-30)26(35)32-18-11-7-16(28)8-12-18/h1-12,33H,(H,31,34)(H,32,35)",C26H15Cl2N5O2,,,,,,OOQHVIOIXRDFRK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.259,274-007-4,69441-18-5,"2-[benzyl(methyl)amino]ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate hydrochloride","2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride",Cl.COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C,Cl.COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C,"InChI=1/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H",C26H29N3O6.xClH,,,,,,AIKVCUNQWYTVTO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.260,274-009-5,69447-46-7,3-bicyclo[2.2.1]hept-5-en-2-ylidenepropiononitrile,3-bicyclo[2.2.1]hept-5-en-2-ylidenepropanenitrile,N#CCC=C2CC1/C=C\\C2C1,N#CCC=C2CC1/C=C\C2C1,"InChI=1/C10H11N/c11-5-1-2-9-6-8-3-4-10(9)7-8/h2-4,8,10H,1,6-7H2",C10H11N,,,,,,KXWRGBCIWPQWPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.261,274-010-0,69447-76-3,3-(5-amino-2-methoxyphenyl)propionic acid,3-(5-amino-2-methoxyphenyl)propanoic acid,COc1ccc(N)cc1CCC(=O)O,COc1ccc(N)cc1CCC(=O)O,"InChI=1/C10H13NO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3,(H,12,13)",C10H13NO3,,,,,,HIEOAHAMBZIBGC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.888,274-700-1,70616-89-6,"Trisodium 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","trisodium 2-({6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Nc1nc(nc(Cl)n1)N(C)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].Nc1nc(nc(Cl)n1)N(C)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C24H18ClN7O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29);;;/q;3*+1/p-3",C24H18ClN7O10S3.3Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18716,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.888,IHVXOVVDYSKGMH-UHFFFAOYSA-K,,,,,,,,,,,
100.067.889,274-701-7,70616-90-9,"Trisodium 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","trisodium 2-({6-[(4,6-dichloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].CN(c1nc(Cl)nc(Cl)n1)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].CN(c1nc(Cl)nc(Cl)n1)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C24H16Cl2N6O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3",C24H16Cl2N6O10S3.3Na,,,,,,ARXWHYHTMGGNST-UHFFFAOYSA-K,,,,,,,,,,,
100.067.891,274-703-8,70624-13-4,"Diphenyl ether, monochloro monoisobutyl derivative",isobutyl hypochlorite - biphenyl (1:1),CC(C)COCl.c1ccc(cc1)c2ccccc2,CC(C)COCl.c1ccc(cc1)c2ccccc2,"InChI=1/C12H10.C4H9ClO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3-6-5/h1-10H;4H,3H2,1-2H3",C16H17ClO,,,,,,FVKJJSKXPNWUEA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.893,274-705-9,70624-15-6,(2-hydroxypropyl)trimethylammonium cyanoacetate,"2-hydroxy-N,N,N-trimethylpropan-1-aminium cyanoacetate",CC(O)C[N+](C)(C)C.[O-]C(=O)CC#N,CC(O)C[N+](C)(C)C.[O-]C(=O)CC#N,"InChI=1/C6H16NO.C3H3NO2/c1-6(8)5-7(2,3)4;4-2-1-3(5)6/h6,8H,5H2,1-4H3;1H2,(H,5,6)/q+1;/p-1",C6H16NO.C3H2NO2,,,,,,NMRZRIUGGSTSEY-UHFFFAOYSA-M,,,,,,,,,,,
100.067.900,274-713-2,70643-20-8,"[4-(2-hydroxyethoxy)-1,3-phenylene]diammonium sulphate","4-(2-hydroxyethoxy)benzene-1,3-diaminium sulfate",[NH3+]c1ccc(OCCO)c([NH3+])c1.[O-]S(=O)(=O)[O-],[NH3+]c1ccc(OCCO)c([NH3+])c1.[O-]S(=O)(=O)[O-],"InChI=1/C8H12N2O2.H2O4S/c9-6-1-2-8(7(10)5-6)12-4-3-11;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)",C8H12N2O2.H2O4S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10774,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.900,UUHBEKCQQLDQNG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.902,274-715-3,70644-46-1,4-(3-cyclohexen-1-yl)pyridine,4-cyclohex-3-en-1-ylpyridine,C1CC(CC=C1)c2ccncc2,C1CC(CC=C1)c2ccncc2,"InChI=1/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-2,6-10H,3-5H2",C11H13N,,,,,,USWHHVUCKNMIRS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.906,274-720-0,70650-95-2,"4,2':6',4''-terpyridine","4,2':6',4''-terpyridine",c1cc(nc(c1)c2ccncc2)c3ccncc3,c1cc(nc(c1)c2ccncc2)c3ccncc3,InChI=1/C15H11N3/c1-2-14(12-4-8-16-9-5-12)18-15(3-1)13-6-10-17-11-7-13/h1-11H,C15H11N3,,,,,,KUWORGFJPZWJPK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.489,274-262-1,70024-67-8,"Benzenesulfonic acid, C16-24-alkyl derivs.",4-icosylbenzenesulfonic acid,CCCCCCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,CCCCCCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,"InChI=1/C26H46O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(24-22-25)30(27,28)29/h21-24H,2-20H2,1H3,(H,27,28,29)",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13906,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.489,ODEJNIONXVQFGU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.640,275-527-4,71486-54-9,Ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate,ethyl 2-carbamothioyl-1H-pyrrole-1-carboxylate,CCOC(=O)n1cccc1C(=S)N,CCOC(=O)n1cccc1C(=S)N,"InChI=1/C8H10N2O2S/c1-2-12-8(11)10-5-3-4-6(10)7(9)13/h3-5H,2H2,1H3,(H2,9,13)",C8H10N2O2S,,,,,,ZLXMVEDAFOUTEA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.263,274-012-1,69462-12-0,"2-ethyl-4-methylpentyl (2,4,5-trichlorophenoxy)acetate","2-ethyl-4-methylpentyl (2,4,5-trichlorophenoxy)acetate",CCC(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC(C)C,CCC(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC(C)C,"InChI=1/C16H21Cl3O3/c1-4-11(5-10(2)3)8-22-16(20)9-21-15-7-13(18)12(17)6-14(15)19/h6-7,10-11H,4-5,8-9H2,1-3H3",C16H21Cl3O3,,,,,,FSXCVPNYCBTUSM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.264,274-013-7,69467-96-5,"2,3-dihydrophthalazine-1,4-dione dihydrazone monomethanesulphonate","1,4-bis(hydrazono)-1,2,3,4-tetrahydrophthalazine methanesulfonate",CS(O)(=O)=O.NN=C1NNC(=NN)c2ccccc12,CS(O)(=O)=O.NN=C1NNC(=NN)c2ccccc12,"InChI=1/C8H10N6.CH4O3S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);1H3,(H,2,3,4)",C8H10N6.CH4O3S,,,,,,DRFCWYSGNDFNPW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.271,274-021-0,69489-85-6,N-(6-aminohexyl)-D-gluconamide,"N-(6-aminohexyl)-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",NCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,NCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C12H26N2O6/c13-5-3-1-2-4-6-14-12(20)11(19)10(18)9(17)8(16)7-15/h8-11,15-19H,1-7,13H2,(H,14,20)",C12H26N2O6,,,,,,KMQNDXVFOHANIQ-CHWFTXMASA-N,,,,,,,,,,,
100.067.272,274-022-6,69490-30-8,Octylguanidine monohydrochloride,1-octylguanidine hydrochloride,Cl.CCCCCCCCNC(=N)N,Cl.CCCCCCCCNC(=N)N,"InChI=1/C9H21N3.ClH/c1-2-3-4-5-6-7-8-12-9(10)11;/h2-8H2,1H3,(H4,10,11,12);1H",C9H21N3.ClH,,,,,,DZONCCFWXXJBEF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.276,274-026-8,69518-57-6,Nitrilotriethylene tris(2-ethylhexanoate),"2-ethylhexanoic acid - N,N-divinylethenamine (3:1)",CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.C=CN(C=C)C=C,CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.C=CN(C=C)C=C,"InChI=1/3C8H16O2.C6H9N/c3*1-3-5-6-7(4-2)8(9)10;1-4-7(5-2)6-3/h3*7H,3-6H2,1-2H3,(H,9,10);4-6H,1-3H2",C30H57NO6,,,,,,RDJKGSOIYGNKSU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.063,279-293-4,79817-63-3,3-[[2-[(3-chlorophenyl)amino]-1-naphthyl]azo]-4-hydroxybenzenesulphonamide,3-({2-[(3-chlorophenyl)amino]-1-naphthyl}diazenyl)-4-hydroxybenzenesulfonamide,Clc4cc(Nc3ccc1ccccc1c3N=Nc2cc(ccc2O)S(N)(=O)=O)ccc4,Clc4cc(Nc3ccc1ccccc1c3N=Nc2cc(ccc2O)S(N)(=O)=O)ccc4,"InChI=1/C22H17ClN4O3S/c23-15-5-3-6-16(12-15)25-19-10-8-14-4-1-2-7-18(14)22(19)27-26-20-13-17(31(24,29)30)9-11-21(20)28/h1-13,25,28H,(H2,24,29,30)",C22H17ClN4O3S,,,,,,KZNQHKXOIQSWSL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.065,279-296-0,79817-65-5,3-[[2-anilino-1-naphthyl]azo]-4-hydroxybenzenesulphonamide,3-[(2-anilino-1-naphthyl)diazenyl]-4-hydroxybenzenesulfonamide,Oc4ccc(cc4N=Nc2c3ccccc3ccc2Nc1ccccc1)S(N)(=O)=O,Oc4ccc(cc4N=Nc2c3ccccc3ccc2Nc1ccccc1)S(N)(=O)=O,"InChI=1/C22H18N4O3S/c23-30(28,29)17-11-13-21(27)20(14-17)25-26-22-18-9-5-4-6-15(18)10-12-19(22)24-16-7-2-1-3-8-16/h1-14,24,27H,(H2,23,28,29)",C22H18N4O3S,,,,,,VXKOKPOHVKXVHM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.069,279-300-0,79817-69-9,Sodium hydrogen 3-nitro-5-sulphonatosalicylate,hydrogen sodium 2-hydroxy-3-nitro-5-sulfonatobenzoate,[Na+].Oc1c(cc(cc1[N+](=O)[O-])S(=O)(=O)[O-])C(=O)[O-],[Na+].Oc1c(cc(cc1[N+](=O)[O-])S(=O)(=O)[O-])C(=O)[O-],"InChI=1/C7H5NO8S.Na/c9-6-4(7(10)11)1-3(17(14,15)16)2-5(6)8(12)13;/h1-2,9H,(H,10,11)(H,14,15,16);/q;+1/p-2",C7H5NO8S.Na,,,,,,OESIJUHTZJZZNK-UHFFFAOYSA-L,,,,,,,,,,,
100.072.076,279-307-9,79817-77-9,"Sodium 1-amino-9,10-dihydro-4-[(4-methyl-3-nitrophenyl)amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-methyl-3-nitrophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1[N+](=O)[O-],[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1[N+](=O)[O-],"InChI=1/C21H15N3O7S.Na/c1-10-6-7-11(8-15(10)24(27)28)23-14-9-16(32(29,30)31)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26;/h2-9,23H,22H2,1H3,(H,29,30,31);/q;+1/p-1",C21H15N3O7S.Na,,,,,,UGCYMWVWVJAOBG-UHFFFAOYSA-M,,,,,,,,,,,
100.075.195,282-741-1,84370-81-0,3-hydroxypropyl salicylate,3-hydroxypropyl salicylate,OCCCOC(=O)c1ccccc1O,OCCCOC(=O)c1ccccc1O,"InChI=1/C10H12O4/c11-6-3-7-14-10(13)8-4-1-2-5-9(8)12/h1-2,4-5,11-12H,3,6-7H2",C10H12O4,,,,,,OBMBZFOXAKONKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.200,282-746-9,84370-86-5,"2,3-dihydro-3-hydroxy-2-imino-6-phenoxypyrimidin-4-amine",6-amino-2-imino-4-phenoxypyrimidin-1(2H)-ol,NC1=CC(=NC(=N)N1O)Oc2ccccc2,NC1=CC(=NC(=N)N1O)Oc2ccccc2,"InChI=1/C10H10N4O2/c11-8-6-9(13-10(12)14(8)15)16-7-4-2-1-3-5-7/h1-6,12,15H,11H2",C10H10N4O2,,,,,,GNQSEISTGYFZSL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.201,282-747-4,84370-87-6,"2,4-dimethoxyphenyl isocyanate","1-isocyanato-2,4-dimethoxybenzene",COc1ccc(N=C=O)c(OC)c1,COc1ccc(N=C=O)c(OC)c1,"InChI=1/C9H9NO3/c1-12-7-3-4-8(10-6-11)9(5-7)13-2/h3-5H,1-2H3",C9H9NO3,,,,,,WRAZHLRMDRTLOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.202,282-749-5,84370-88-7,"Phenyl 3,3-diphenylpropionate","phenyl 3,3-diphenylpropanoate",O=C(CC(c1ccccc1)c2ccccc2)Oc3ccccc3,O=C(CC(c1ccccc1)c2ccccc2)Oc3ccccc3,"InChI=1/C21H18O2/c22-21(23-19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20H,16H2",C21H18O2,,,,,,POCUQRZLGDCGBV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.206,282-753-7,84385-44-4,"N-[5-(allylamino)-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-(allylamino)-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(NCC=C)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(NCC=C)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H17ClN6O6/c1-4-5-20-15-8-13(21-10(2)26)14(9-17(15)31-3)22-23-18-12(19)6-11(24(27)28)7-16(18)25(29)30/h4,6-9,20H,1,5H2,2-3H3,(H,21,26)",C18H17ClN6O6,,,,,,OZNDVUMCDNKAGE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.207,282-754-2,84389-35-5,2-(dimethylamino)ethyl 4-azidobenzoate,2-(dimethylamino)ethyl 4-azidobenzoate,CN(C)CCOC(=O)c1ccc(cc1)N=[N+]=[N-],CN(C)CCOC(=O)c1ccc(cc1)N=[N+]=[N-],"InChI=1/C11H14N4O2/c1-15(2)7-8-17-11(16)9-3-5-10(6-4-9)13-14-12/h3-6H,7-8H2,1-2H3",C11H14N4O2,,,,,,PQKIJCOGSCWWMN-UHFFFAOYSA-N,,,,,,,,,,,
100.075.208,282-755-8,84394-97-8,1-(2-hydroxyethyl)-4-piperidone,1-(2-hydroxyethyl)piperidin-4-one,OCCN1CCC(=O)CC1,OCCN1CCC(=O)CC1,"InChI=1/C7H13NO2/c9-6-5-8-3-1-7(10)2-4-8/h9H,1-6H2",C7H13NO2,,,,,,UIFFSBYMUXSQNX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.212,282-760-5,84411-99-4,"Octahydro-4,7-methano-1H-indenyl acetate","octahydro-1H-4,7-methanoinden-1-yl acetate",CC(=O)OC1CCC2C3CCC(C3)C12,CC(=O)OC1CCC2C3CCC(C3)C12,"InChI=1/C12H18O2/c1-7(13)14-11-5-4-10-8-2-3-9(6-8)12(10)11/h8-12H,2-6H2,1H3",C12H18O2,,,,,,ZDOPVTMGWXOTQX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.979,281-403-0,83949-42-2,1-benzyl-4-hydrazinopiperidine dihydrochloride,1-benzyl-4-hydrazinopiperidine dihydrochloride,Cl.Cl.NNC1CCN(Cc2ccccc2)CC1,Cl.Cl.NNC1CCN(Cc2ccccc2)CC1,"InChI=1/C12H19N3.2ClH/c13-14-12-6-8-15(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12,14H,6-10,13H2;2*1H",C12H19N3.2ClH,,,,,,ZZCHUBZBYAFNPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.854,270-261-5,68413-89-8,4-(ethylamino)-2-methylbenzenediazonium hexafluorophosphate,4-(ethylamino)-2-methylbenzenediazonium hexafluorophosphate,CCNc1ccc([N+]#N)c(C)c1.F[P-](F)(F)(F)(F)F,CCNc1ccc([N+]#N)c(C)c1.F[P-](F)(F)(F)(F)F,"InChI=1/C9H12N3.F6P/c1-3-11-8-4-5-9(12-10)7(2)6-8;1-7(2,3,4,5)6/h4-6,11H,3H2,1-2H3;/q+1;-1",C9H12N3.F6P,,,,,,GQNLYBVNRXQWNX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.855,270-262-0,68413-90-1,"1,2-dimethyl-3-(3-sulphonatopropyl)-5-(trifluoromethyl)-1H-benzimidazolium sodium chloride","sodium chloride 3-[2,3-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-3,1-benzimidazol-3-ium-1-yl]propane-1-sulfonate (1:1)",[Na+].[Cl-].CC1N(CCCS(=O)(=O)[O-])c2cc(ccc2[NH+]1C)C(F)(F)F,[Na+].[Cl-].CC1N(CCCS(=O)(=O)[O-])c2cc(ccc2[NH+]1C)C(F)(F)F,"InChI=1/C13H17F3N2O3S.ClH.Na/c1-9-17(2)11-5-4-10(13(14,15)16)8-12(11)18(9)6-3-7-22(19,20)21;;/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20,21);1H;/q;;+1/p-1",C13H16F3N2O3S.Cl.Na,,,,,,RMWLSAIWEOIULK-UHFFFAOYSA-M,,,,,,,,,,,
100.063.860,270-267-8,68419-46-5,"2,7-dimethyloct-5-en-4-one","2,7-dimethyloct-5-en-4-one",CC(C)C=CC(=O)CC(C)C,CC(C)C=CC(=O)CC(C)C,"InChI=1/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5-6,8-9H,7H2,1-4H3",C10H18O,,,,,,CZOUKEVZSCNCAE-UHFFFAOYSA-N,,,,,,,,,,,
100.066.706,273-398-9,68959-14-8,Sodium 3-[[5-hydroxy-2-[(4-hydroxyphenyl)sulphonyl]phenyl]methyl]naphthalene-2-sulphonate,sodium 3-{5-hydroxy-2-[(4-hydroxyphenyl)sulfonyl]benzyl}naphthalene-2-sulfonate,[Na+].Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2Cc3cc4ccccc4cc3S(=O)(=O)[O-],[Na+].Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2Cc3cc4ccccc4cc3S(=O)(=O)[O-],"InChI=1/C23H18O7S2.Na/c24-19-5-8-21(9-6-19)31(26,27)22-10-7-20(25)13-18(22)12-17-11-15-3-1-2-4-16(15)14-23(17)32(28,29)30;/h1-11,13-14,24-25H,12H2,(H,28,29,30);/q;+1/p-1",C23H18O7S2.Na,,,,,,HOEKVZNWDQWFTE-UHFFFAOYSA-M,,,,,,,,,,,
100.066.711,273-403-4,68959-20-6,Didecylmethyl[3-(trimethoxysilyl)propyl]ammonium chloride,N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]decan-1-aminium chloride,[Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC,[Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC,"InChI=1/C27H60NO3Si.ClH/c1-7-9-11-13-15-17-19-21-24-28(3,25-22-20-18-16-14-12-10-8-2)26-23-27-32(29-4,30-5)31-6;/h7-27H2,1-6H3;1H/q+1;/p-1",C27H60NO3Si.Cl,,,,,,AXPYABZPAWSUMG-UHFFFAOYSA-M,,,,,,,,,,,
100.066.714,273-407-6,68959-23-9,"1,2,6-tris(2,3-epoxypropoxy)hexane","2,2',2''-[hexane-1,2,6-triyltris(oxymethylene)]trioxirane",C(CCC(COCC1CO1)OCC2CO2)COCC3CO3,C(CCC(COCC1CO1)OCC2CO2)COCC3CO3,"InChI=1/C15H26O6/c1(2-4-16-6-13-8-19-13)3-12(18-10-15-11-21-15)5-17-7-14-9-20-14/h12-15H,1-11H2",C15H26O6,,,,,,ZOFKPALYCTZEQT-UHFFFAOYSA-N,,,,,,,,,,,
100.066.716,273-409-7,68959-25-1,"1-(2-hydroxyethoxy)-2,2,4-trimethylpentan-3-ol","1-(2-hydroxyethoxy)-2,2,4-trimethylpentan-3-ol",CC(C)C(O)C(C)(C)COCCO,CC(C)C(O)C(C)(C)COCCO,"InChI=1/C10H22O3/c1-8(2)9(12)10(3,4)7-13-6-5-11/h8-9,11-12H,5-7H2,1-4H3",C10H22O3,,,,,,IDKLTESMXSAQGI-UHFFFAOYSA-N,,,,,,,,,,,
100.066.719,273-412-3,68959-31-9,"Octahydro-1,3-bis(2-hydroxyethyl)-6,8-distearoyl-1,3,6,8-tetrazecine-2,7-dione","1,3-bis(2-hydroxyethyl)-6,8-distearoyl-1,3,6,8-tetrazecane-2,7-dione",CCCCCCCCCCCCCCCCCC(=O)N1CCN(CCO)C(=O)N(CCO)CCN(C(=O)CCCCCCCCCCCCCCCCC)C1=O,CCCCCCCCCCCCCCCCCC(=O)N1CCN(CCO)C(=O)N(CCO)CCN(C(=O)CCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C46H88N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(53)49-37-35-47(39-41-51)45(55)48(40-42-52)36-38-50(46(49)56)44(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51-52H,3-42H2,1-2H3",C46H88N4O6,,,,,,GWDOXPUQJKXPGI-UHFFFAOYSA-N,,,,,,,,,,,
100.066.721,273-414-4,68959-36-4,"3,3'-[[[4-(diethylamino)phenyl]methylene]bis[(3-methyl-4,1-phenylene)(ethylimino)methylene]]bis(benzenesulphonic) acid","3,3'-({[4-(diethylamino)phenyl]methylene}bis[(3-methyl-4,1-phenylene)(ethylimino)methylene])dibenzenesulfonic acid",CCN(CC)c1ccc(cc1)C(c2ccc(cc2C)N(CC)Cc3cccc(c3)S(=O)(=O)O)c4ccc(cc4C)N(CC)Cc5cccc(c5)S(=O)(=O)O,CCN(CC)c1ccc(cc1)C(c2ccc(cc2C)N(CC)Cc3cccc(c3)S(=O)(=O)O)c4ccc(cc4C)N(CC)Cc5cccc(c5)S(=O)(=O)O,"InChI=1/C43H51N3O6S2/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52/h11-28,43H,7-10,29-30H2,1-6H3,(H,47,48,49)(H,50,51,52)",C43H51N3O6S2,,,,,,MDCPAFXBQFENEV-UHFFFAOYSA-N,,,,,,,,,,,
100.066.731,273-425-4,68966-32-5,Sodium hydrogen 3-chlorophthalate,sodium hydrogen 3-chlorophthalate,[Na+].[O-]C(=O)c1cccc(Cl)c1C(=O)[O-],[Na+].[O-]C(=O)c1cccc(Cl)c1C(=O)[O-],"InChI=1/C8H5ClO4.Na/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;/h1-3H,(H,10,11)(H,12,13);/q;+1/p-2",C8H5ClO4.Na,,,,,,RLCCWSGPYQLVSW-UHFFFAOYSA-L,,,,,,,,,,,
100.066.733,273-428-0,68966-37-0,"[[4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]amino]benzenesulphonic acid","2-({4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl}amino)benzenesulfonic acid",Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(Nc4ccccc4S(=O)(=O)O)cc3,Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(Nc4ccccc4S(=O)(=O)O)cc3,"InChI=1/C25H21N3O3S/c26-20-11-5-17(6-12-20)25(18-7-13-21(27)14-8-18)19-9-15-22(16-10-19)28-23-3-1-2-4-24(23)32(29,30)31/h1-16,26,28H,27H2,(H,29,30,31)",C25H21N3O3S,,,,,,ZOYBVMFJRFTUMU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.197,273-937-8,69251-28-1,"1-(5,6,7,8-tetrahydro-3-methoxy-5,5,8,8-tetramethyl-2-naphthyl)ethan-1-one","1-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone",COc1cc2c(cc1C(=O)C)C(C)(C)CCC2(C)C,COc1cc2c(cc1C(=O)C)C(C)(C)CCC2(C)C,"InChI=1/C17H24O2/c1-11(18)12-9-13-14(10-15(12)19-6)17(4,5)8-7-16(13,2)3/h9-10H,7-8H2,1-6H3",C17H24O2,,,,,,BKNUXXFUQHTKHP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.407,276-370-4,72139-14-1,"Trisodium 4-[[5-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-1-(2-methyl-4-sulphonatophenyl)-5-oxo-1H-pyrazole-3-carboxylate","trisodium 4-[(5-{[(2,3-dichloroquinoxalin-6-yl)carbonyl]amino}-2-sulfonatophenyl)diazenyl]-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].Clc1nc2cc(ccc2nc1Cl)C(=O)Nc5cc(N=NC4\\C(=N/N(c3ccc(cc3C)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc1nc2cc(ccc2nc1Cl)C(=O)Nc5cc(N=NC4\C(=N/N(c3ccc(cc3C)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O,"InChI=1/C26H17Cl2N7O10S2.3Na/c1-11-8-14(46(40,41)42)4-6-18(11)35-25(37)20(21(34-35)26(38)39)33-32-17-10-13(3-7-19(17)47(43,44)45)29-24(36)12-2-5-15-16(9-12)31-23(28)22(27)30-15;;;/h2-10,20H,1H3,(H,29,36)(H,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C26H17Cl2N7O10S2.3Na,,,,,,QVDFDCWLEKWNMS-UHFFFAOYSA-K,,,,,,,,,,,
100.069.409,276-373-0,72139-16-3,"Trisodium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulphonate","trisodium 4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulfonate",[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cc(Nc5nc(Cl)nc(Cl)c5Cl)c(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cc(Nc5nc(Cl)nc(Cl)c5Cl)c(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C24H14Cl3N5O11S3.3Na/c25-18-22(26)31-24(27)32-23(18)30-11-5-10(13(44(35,36)37)7-14(11)45(38,39)40)29-12-6-15(46(41,42)43)19(28)17-16(12)20(33)8-3-1-2-4-9(8)21(17)34;;;/h1-7,29H,28H2,(H,30,31,32)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C24H14Cl3N5O11S3.3Na,,,,,,KGWYMHSWTWJPQV-UHFFFAOYSA-K,,,,,,,,,,,
100.069.411,276-375-1,72139-19-6,"Tetrasodium 4,4'-bis[[5-[[5-(aminosulphonyl)-2-hydroxyphenyl]azo]-1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-3,3'-dicarboxylate","tetrasodium 4,4'-bis({6-anilino-1-hydroxy-5-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-sulfonato-2-naphthyl}diazenyl)biphenyl-3,3'-dicarboxylate",[Na+].[Na+].[Na+].[Na+].NS(=O)(=O)c%10cc(N=Nc8c9cc(c(N=Nc1ccc(cc1C([O-])=O)c6ccc(N=Nc5c(cc4c(ccc(Nc2ccccc2)c4N=Nc3cc(ccc3O)S(N)(=O)=O)c5O)S([O-])(=O)=O)c(c6)C([O-])=O)c(O)c9ccc8Nc7ccccc7)S([O-])(=O)=O)c(O)cc%10,[Na+].[Na+].[Na+].[Na+].NS(=O)(=O)c%10cc(N=Nc8c9cc(c(N=Nc1ccc(cc1C([O-])=O)c6ccc(N=Nc5c(cc4c(ccc(Nc2ccccc2)c4N=Nc3cc(ccc3O)S(N)(=O)=O)c5O)S([O-])(=O)=O)c(c6)C([O-])=O)c(O)c9ccc8Nc7ccccc7)S([O-])(=O)=O)c(O)cc%10,"InChI=1/C58H42N12O18S4.4Na/c59-89(79,80)33-13-21-47(71)45(25-33)65-67-51-37-27-49(91(83,84)85)53(55(73)35(37)15-19-43(51)61-31-7-3-1-4-8-31)69-63-41-17-11-29(23-39(41)57(75)76)30-12-18-42(40(24-30)58(77)78)64-70-54-50(92(86,87)88)28-38-36(56(54)74)16-20-44(62-32-9-5-2-6-10-32)52(38)68-66-46-26-34(90(60,81)82)14-22-48(46)72;;;;/h1-28,61-62,71-74H,(H,75,76)(H,77,78)(H2,59,79,80)(H2,60,81,82)(H,83,84,85)(H,86,87,88);;;;/q;4*+1/p-4",C58H42N12O18S4.4Na,,,,,,HZBZVANMAXZCDZ-UHFFFAOYSA-J,,,,,,,,,,,
100.069.412,276-376-7,72139-20-9,"Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[(methylamino)sulfonyl]-, tetrasodium salt","tetrasodium 2-[(1-{4-[2-(4-{[4-({4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]phenyl}amino)-4-oxobut-2-enoyl]amino}-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-(methylsulfamoyl)benzoate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)NC(=O)C=CC(=O)Nc6ccc(C=Cc3ccc(cc3S([O-])(=O)=O)N5/N=C(/C)C(N=Nc4ccc(cc4C([O-])=O)S(=O)(=O)NC)C5=O)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)NC(=O)C=CC(=O)Nc6ccc(C=Cc3ccc(cc3S([O-])(=O)=O)N5/N=C(/C)C(N=Nc4ccc(cc4C([O-])=O)S(=O)(=O)NC)C5=O)c(c6)S([O-])(=O)=O,"InChI=1/C43H35N9O16S3.4Na/c1-23-40(50-49-34-15-14-31(69(61,62)44-2)22-32(34)42(57)58)41(56)52(51-23)30-13-6-25(37(21-30)71(66,67)68)4-3-24-5-7-28(20-36(24)70(63,64)65)46-39(55)18-17-38(54)45-26-8-10-27(11-9-26)47-48-29-12-16-35(53)33(19-29)43(59)60;;;;/h3-22,40,44,53H,1-2H3,(H,45,54)(H,46,55)(H,57,58)(H,59,60)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C43H35N9O16S3.4Na,,,,,,MOZDUOVISMVRIV-UHFFFAOYSA-J,,,,,,,,,,,
100.069.413,276-377-2,72139-21-0,"Disodium 5,5'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(imino-p-phenyleneazo)]disalicylate","disodium 3,3'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(imino-4,1-phenylenediazene-2,1-diyl)]bis(6-hydroxybenzoate)",[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(NC(=O)C=CC(=O)Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)cc4,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(NC(=O)C=CC(=O)Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)cc4,"InChI=1/C30H22N6O8.2Na/c37-25-11-9-21(15-23(25)29(41)42)35-33-19-5-1-17(2-6-19)31-27(39)13-14-28(40)32-18-3-7-20(8-4-18)34-36-22-10-12-26(38)24(16-22)30(43)44;;/h1-16,37-38H,(H,31,39)(H,32,40)(H,41,42)(H,43,44);;/q;2*+1/p-2",C30H22N6O8.2Na,,,,,,WQJRLJRUKDTIAY-UHFFFAOYSA-L,,,,,,,,,,,
100.069.415,276-379-3,72139-23-2,"Disodium 4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-4'-[(2,5,6-trichloropyrimidin-4-yl)amino][1,1'-biphenyl]-3-sulphonate","disodium 4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4'-[(2,5,6-trichloropyrimidin-4-yl)amino]biphenyl-3-sulfonate",[Na+].[Na+].Clc5c(Cl)nc(Cl)nc5Nc1ccc(cc1)c4ccc(N=NC3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].Clc5c(Cl)nc(Cl)nc5Nc1ccc(cc1)c4ccc(N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c(c4)S([O-])(=O)=O,"InChI=1/C26H18Cl3N7O7S2.2Na/c1-13-22(25(37)36(35-13)17-7-9-18(10-8-17)44(38,39)40)34-33-19-11-4-15(12-20(19)45(41,42)43)14-2-5-16(6-3-14)30-24-21(27)23(28)31-26(29)32-24;;/h2-12,22H,1H3,(H,30,31,32)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C26H18Cl3N7O7S2.2Na,,,,,,WSUXMBNHGJJTFJ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.416,276-380-9,72140-65-9,(2-cyano-1-methylethyl)dodecylethylsulphonium tetrafluoroborate(1-),(2-cyano-1-methylethyl)(dodecyl)ethylsulfonium tetrafluoroborate,CCCCCCCCCCCC[S+](CC)C(C)CC#N.F[B-](F)(F)F,CCCCCCCCCCCC[S+](CC)C(C)CC#N.F[B-](F)(F)F,"InChI=1/C18H36NS.BF4/c1-4-6-7-8-9-10-11-12-13-14-17-20(5-2)18(3)15-16-19;2-1(3,4)5/h18H,4-15,17H2,1-3H3;/q+1;-1",C18H36NS.BF4,,,,,,QGIIBCRONKYRNS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.278,274-028-9,69525-81-1,"(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(3-methyl-2-thienyl)vinyl]pyrimidinediylium hydrogen citrate",-,C[NH+]1CCC[NH2+]C1\\C=C\\c2sccc2C.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],C[NH+]1CCC[NH2+]C1\C=C\c2sccc2C.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C12H18N2S.C6H8O7/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9,12-13H,3,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1",C12H16N2S.C6H8O7,,,,,,FDCYEQYTSABWFS-FXRZFVDSSA-M,,,,,,,,,,,
100.067.279,274-029-4,69533-71-7,Sodium (2-methoxyphenoxy)acetate,sodium (2-methoxyphenoxy)acetate,[Na+].COc1ccccc1OCC(=O)[O-],[Na+].COc1ccccc1OCC(=O)[O-],"InChI=1/C9H10O4.Na/c1-12-7-4-2-3-5-8(7)13-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1",C9H10O4.Na,,,,,,YORSWGBNUBJMFE-UHFFFAOYSA-M,,,,,,,,,,,
100.067.281,274-032-0,69537-35-5,Bis(dodecanoyloxy)didodecylstannane,bis(dodecanoyloxy)(didodecyl)stannane,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1/2C12H24O2.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-12H2,2H3;/q;;;;+2/p-2/rC48H96O4Sn/c1-5-9-13-17-21-25-29-33-37-41-45-53(46-42-38-34-30-26-22-18-14-10-6-2,51-47(49)43-39-35-31-27-23-19-15-11-7-3)52-48(50)44-40-36-32-28-24-20-16-12-8-4/h5-46H2,1-4H3",C48H96O4Sn,,,,,,MBPHIRCSMZIBOE-UHFFFAOYSA-L,,,,,,,,,,,
100.067.288,274-039-9,69559-11-1,2-(4-aminopentyl(ethyl)amino)ethanol,2-[(4-aminopentyl)(ethyl)amino]ethanol,CCN(CCO)CCCC(C)N,CCN(CCO)CCCC(C)N,"InChI=1/C9H22N2O/c1-3-11(7-8-12)6-4-5-9(2)10/h9,12H,3-8,10H2,1-2H3",C9H22N2O,,,,,,XUVXSSOPXQRCGL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.293,274-045-1,69571-16-0,"4-amino-6-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-3-[(2,5-disulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)-3-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",Nc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O)nc(Cl)n5,Nc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O)nc(Cl)n5,"InChI=1/C25H19ClN10O16S5/c26-23-30-24(28)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(27)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46/h1-8,37H,27H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H3,28,29,30,31,32)",C25H19ClN10O16S5,,,,,,XPLSAHFMZQBPSK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.296,274-048-8,69577-09-9,"2-[2-(1-piperidinyl)ethyl]-1,2-benzisothiazol-3(2H)-one","2-(2-piperidin-1-ylethyl)-1,2-benzisothiazol-3(2H)-one",O=C1N(CCN2CCCCC2)Sc3ccccc13,O=C1N(CCN2CCCCC2)Sc3ccccc13,"InChI=1/C14H18N2OS/c17-14-12-6-2-3-7-13(12)18-16(14)11-10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2",C14H18N2OS,,,,,,CVYVBEZFLKAOSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.297,274-049-3,69577-10-2,"2-[2-(1-pyrrolidinyl)ethyl]-1,2-benzisothiazol-3(2H)-one","2-(2-pyrrolidin-1-ylethyl)-1,2-benzisothiazol-3(2H)-one",O=C1N(CCN2CCCC2)Sc3ccccc13,O=C1N(CCN2CCCC2)Sc3ccccc13,"InChI=1/C13H16N2OS/c16-13-11-5-1-2-6-12(11)17-15(13)10-9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2",C13H16N2OS,,,,,,UOWPTFYGZGEOLW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.437,276-403-2,72152-49-9,"Trisodium 5-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5c(Nc1ccc(cc1)C(=O)Nc4cc(cc3cc(c(N=Nc2ccccc2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(F)nc5F,[Na+].[Na+].[Na+].Clc5c(Nc1ccc(cc1)C(=O)Nc4cc(cc3cc(c(N=Nc2ccccc2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(F)nc5F,"InChI=1/C27H17ClF2N6O11S3.3Na/c28-21-24(29)33-27(30)34-25(21)31-14-7-5-12(6-8-14)26(38)32-17-11-15(48(39,40)41)9-13-10-19(50(45,46)47)22(23(37)20(13)17)36-35-16-3-1-2-4-18(16)49(42,43)44;;;/h1-11,37H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C27H17ClF2N6O11S3.3Na,,,,,,DTJYROFTDDFIPE-UHFFFAOYSA-K,,,,,,,,,,,
100.069.439,276-405-3,72152-51-3,"Trisodium 6-amino-5-[[5-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulphonatophenyl]amino]-2-sulphonatophenyl]azo]naphthalene-1-sulphonate","trisodium 6-amino-5-{[5-({5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl}amino)-2-sulfonatophenyl]diazenyl}naphthalene-1-sulfonate",[Na+].[Na+].[Na+].Clc5c(Nc4ccc(c(Nc3ccc(c(N=Nc1c2cccc(c2ccc1N)S([O-])(=O)=O)c3)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(F)nc5F,[Na+].[Na+].[Na+].Clc5c(Nc4ccc(c(Nc3ccc(c(N=Nc1c2cccc(c2ccc1N)S([O-])(=O)=O)c3)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(F)nc5F,"InChI=1/C26H18ClF2N7O9S3.3Na/c27-22-24(28)33-26(29)34-25(22)32-13-5-8-20(47(40,41)42)17(10-13)31-12-4-9-21(48(43,44)45)18(11-12)35-36-23-15-2-1-3-19(46(37,38)39)14(15)6-7-16(23)30;;;/h1-11,31H,30H2,(H,32,33,34)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C26H18ClF2N7O9S3.3Na,,,,,,CQZKCYGIFGZYRT-UHFFFAOYSA-K,,,,,,,,,,,
100.073.981,281-405-1,83949-44-4,"Disodium hydrogen 4-[[4-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonate","hydrogen disodium 4-[(4-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}-5-methoxy-2-methylphenyl)diazenyl]-5-[(phenylsulfonyl)oxy]naphthalene-2,7-disulfonate",[H+].[Na+].[Na+].COc6cc(N=Nc3cc(cc2cc(cc(OS(=O)(=O)c1ccccc1)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc4cc5cc(cc(O)c5cc4)S([O-])(=O)=O,[H+].[Na+].[Na+].COc6cc(N=Nc3cc(cc2cc(cc(OS(=O)(=O)c1ccccc1)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc4cc5cc(cc(O)c5cc4)S([O-])(=O)=O,"InChI=1/C35H28N4O15S4.2Na.H2/c1-19-10-29(37-35(41)36-22-8-9-27-20(11-22)12-25(16-31(27)40)56(45,46)47)32(53-2)18-28(19)38-39-30-15-24(55(42,43)44)13-21-14-26(57(48,49)50)17-33(34(21)30)54-58(51,52)23-6-4-3-5-7-23;;;/h3-18,40H,1-2H3,(H2,36,37,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;1H/q;3*+1/p-3",C35H28N4O15S4.2Na,,,,,,AGNRGRUSTZUISH-UHFFFAOYSA-L,,,,,,,,,,,
100.073.982,281-406-7,83949-45-5,"Disodium 3-hydroxynaphthalene-2,6-disulphonate","disodium 3-hydroxynaphthalene-2,6-disulfonate",[Na+].[Na+].Oc1cc2cc(ccc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc2cc(ccc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2Na/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2Na,,,,,,AHIGTETYWQNRQW-UHFFFAOYSA-L,,,,,,,,,,,
100.073.997,281-422-4,83949-62-6,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[H+].[O-]S([O-])(=O)=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H23N3O.H2O4S.H2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-5(2,3)4;/h5-12,14H,13H2,1-4H3;(H2,1,2,3,4);1H/q;;+1/p-1",C20H24N3O.HO4S,,,,,,ODBBXFCYRGYGPX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.999,281-425-0,83949-65-9,"2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-(2-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",CCOc1ccc(cc1)N(C)c2ccc(\\C=C\\C3=[N+](C)c4ccccc4C3(C)C)cc2.[O-]P(=O)([O-])[O-],CCOc1ccc(cc1)N(C)c2ccc(\C=C\C3=[N+](C)c4ccccc4C3(C)C)cc2.[O-]P(=O)([O-])[O-],"InChI=1/C28H31N2O.H3O4P/c1-6-31-24-18-16-23(17-19-24)29(4)22-14-11-21(12-15-22)13-20-27-28(2,3)25-9-7-8-10-26(25)30(27)5;1-5(2,3)4/h7-20H,6H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3",C28H31N2O.H2O4P,,,,,,IAHXAJCZTKRHBP-UHFFFAOYSA-K,,,,,,,,,,,
100.072.087,279-319-4,79832-55-6,3-hydroxy-4-[[4-[6-[[2-hydroxy-3-[(phenylamino)carbonyl]naphthyl]azo]benzoxazol-2-yl]-2-methylphenyl]azo]-N-phenylnaphthalene-2-carboxamide,"3-hydroxy-4-{[4-(6-{[2-hydroxy-3-(phenylcarbamoyl)-1-naphthyl]diazenyl}-1,3-benzoxazol-2-yl)-2-methylphenyl]diazenyl}-N-phenyl-2-naphthamide",O=C(Nc1ccccc1)c9cc2ccccc2c(N=Nc3ccc(cc3C)c4nc5ccc(cc5o4)N=Nc7c8ccccc8cc(C(=O)Nc6ccccc6)c7O)c9O,O=C(Nc1ccccc1)c9cc2ccccc2c(N=Nc3ccc(cc3C)c4nc5ccc(cc5o4)N=Nc7c8ccccc8cc(C(=O)Nc6ccccc6)c7O)c9O,"InChI=1/C48H33N7O5/c1-28-24-31(20-22-39(28)53-55-43-36-19-11-9-13-30(36)26-38(45(43)57)47(59)50-33-16-6-3-7-17-33)48-51-40-23-21-34(27-41(40)60-48)52-54-42-35-18-10-8-12-29(35)25-37(44(42)56)46(58)49-32-14-4-2-5-15-32/h2-27,56-57H,1H3,(H,49,58)(H,50,59)",C48H33N7O5,,,,,,DJYUBRZHKRDCSU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.093,279-326-2,79855-95-1,"Bis(2-ethylhexyl) 2,2'-[methylenebis(thio)]bisacetate","bis(2-ethylhexyl) 2,2'-(methylenedisulfanediyl)diacetate",CCCCC(CC)COC(=O)CSCSCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CSCSCC(=O)OCC(CC)CCCC,"InChI=1/C21H40O4S2/c1-5-9-11-18(7-3)13-24-20(22)15-26-17-27-16-21(23)25-14-19(8-4)12-10-6-2/h18-19H,5-17H2,1-4H3",C21H40O4S2,,,,,,GISKORVDMBOCCX-UHFFFAOYSA-N,,,,,,,,,,,
100.072.095,279-328-3,79868-75-0,"[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino](4-hydroxyphenyl)acetic acid","{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(4-hydroxyphenyl)acetic acid",CCN1CCN(C(=O)NC(C(=O)O)c2ccc(O)cc2)C(=O)C1=O,CCN1CCN(C(=O)NC(C(=O)O)c2ccc(O)cc2)C(=O)C1=O,"InChI=1/C15H17N3O6/c1-2-17-7-8-18(13(21)12(17)20)15(24)16-11(14(22)23)9-3-5-10(19)6-4-9/h3-6,11,19H,2,7-8H2,1H3,(H,16,24)(H,22,23)",C15H17N3O6,,,,,,IPARGUVYMOMVNU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.102,279-336-7,79893-22-4,5-(ethylsulphonyl)-4-nitro-o-anisic acid,5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoic acid,CCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1[N+](=O)[O-],CCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1[N+](=O)[O-],"InChI=1/C10H11NO7S/c1-3-19(16,17)9-4-6(10(12)13)8(18-2)5-7(9)11(14)15/h4-5H,3H2,1-2H3,(H,12,13)",C10H11NO7S,,,,,,NCMKWHOWUUZOFU-UHFFFAOYSA-N,,,,,,,,,,,
100.072.103,279-337-2,79893-23-5,N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulphonyl)-2-methoxy-4-nitrobenzamide,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxy-4-nitrobenzamide,CCN1CCCC1CNC(=O)c2cc(c(cc2OC)[N+](=O)[O-])S(=O)(=O)CC,CCN1CCCC1CNC(=O)c2cc(c(cc2OC)[N+](=O)[O-])S(=O)(=O)CC,"InChI=1/C17H25N3O6S/c1-4-19-8-6-7-12(19)11-18-17(21)13-9-16(27(24,25)5-2)14(20(22)23)10-15(13)26-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,21)",C17H25N3O6S,,,,,,AHGRUFWMUYBFSG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.106,279-340-9,79893-50-8,"(+)-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidinium hydrochloride",-,Cl.CC[NH+]1CCCC1CCOc2cc(Cl)cc(Cl)c2OC,Cl.CC[NH+]1CCCC1CCOc2cc(Cl)cc(Cl)c2OC,"InChI=1/C15H21Cl2NO2.ClH/c1-3-18-7-4-5-12(18)6-8-20-14-10-11(16)9-13(17)15(14)19-2;/h9-10,12H,3-8H2,1-2H3;1H/p+1",C15H21Cl2NO2.ClH,,,,,,MWFCGPKABKLWSH-UHFFFAOYSA-O,,,,,,,,,,,
100.072.117,279-352-4,79925-85-2,3-methylbutyl 3-(2-furyl)acrylate,3-methylbutyl 3-(2-furyl)acrylate,CC(C)CCOC(=O)\\C=C\\c1occc1,CC(C)CCOC(=O)\C=C\c1occc1,"InChI=1/C12H16O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-6,8,10H,7,9H2,1-2H3",C12H16O3,,,,,,XAPDJXISYPRRFW-AATRIKPKSA-N,,,,,,,,,,,
100.067.199,273-939-9,69257-51-8,1-deoxy-1-nitro-L-glucitol,1-deoxy-1-nitro-L-glucitol,OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C[N+](=O)[O-],OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C[N+](=O)[O-],"InChI=1/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2",C6H13NO7,,,,,,HOFCJTOUEGMYBT-VANKVMQKSA-N,,,,,,,,,,,
100.063.639,270-024-6,68400-35-1,4-[(4-amino-5-methoxy-o-tolyl)azo]benzenesulphonic acid monohydrochloride,4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]benzenesulfonic acid hydrochloride,Cl.Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S(O)(=O)=O,Cl.Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S(O)(=O)=O,"InChI=1/C14H15N3O4S.ClH/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)22(18,19)20;/h3-8H,15H2,1-2H3,(H,18,19,20);1H",C14H15N3O4S.ClH,,,,,,BLQJKDFPGRNLAR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.643,270-028-8,68400-39-5,"Tetrasodium 7-[[4-[[4-[(sulphonatomethyl)amino]phenyl]azo]phenyl]azo]naphthalene-1,3,5-trisulphonate","tetrasodium 7-{[4-({4-[(sulfonatomethyl)amino]phenyl}diazenyl)phenyl]diazenyl}naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(cc1c4cc(cc1S([O-])(=O)=O)N=Nc3ccc(N=Nc2ccc(NCS([O-])(=O)=O)cc2)cc3)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(cc1c4cc(cc1S([O-])(=O)=O)N=Nc3ccc(N=Nc2ccc(NCS([O-])(=O)=O)cc2)cc3)S([O-])(=O)=O,"InChI=1/C23H19N5O12S4.4Na/c29-41(30,31)13-24-14-1-3-15(4-2-14)25-26-16-5-7-17(8-6-16)27-28-18-9-20-21(22(10-18)43(35,36)37)11-19(42(32,33)34)12-23(20)44(38,39)40;;;;/h1-12,24H,13H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4",C23H19N5O12S4.4Na,,,,,,RBZOZHMXUPXSKC-UHFFFAOYSA-J,,,,,,,,,,,
100.063.646,270-031-4,68400-42-0,Sodium 2-hydroxy-5-nitro-3-[[2-oxo-1-[anilinocarbonyl]propyl]azo]benzenesulphonate,sodium 2-hydroxy-5-nitro-3-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate,[Na+].Oc2c(cc(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)[N+]([O-])=O)S([O-])(=O)=O,[Na+].Oc2c(cc(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)[N+]([O-])=O)S([O-])(=O)=O,"InChI=1/C16H14N4O8S.Na/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2-8,14,22H,1H3,(H,17,23)(H,26,27,28);/q;+1/p-1",C16H14N4O8S.Na,,,,,,MPCVYZWRPYLYMF-UHFFFAOYSA-M,,,,,,,,,,,
100.063.647,270-033-5,68400-43-1,3-chloro-4-(dimethylamino)benzenediazonium hexafluorophosphate,3-chloro-4-(dimethylamino)benzenediazonium hexafluorophosphate,CN(C)c1ccc(cc1Cl)[N+]#N.F[P-](F)(F)(F)(F)F,CN(C)c1ccc(cc1Cl)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C8H9ClN3.F6P/c1-12(2)8-4-3-6(11-10)5-7(8)9;1-7(2,3,4,5)6/h3-5H,1-2H3;/q+1;-1",C8H9ClN3.F6P,,,,,,HJLAYYLOWPGISJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.648,270-034-0,68400-45-3,"2,5-bis(1-methylethoxy)-4-(morpholino)benzenediazonium hexafluorophosphate","2,5-diisopropoxy-4-morpholin-4-ylbenzenediazonium hexafluorophosphate",CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.F[P-](F)(F)(F)(F)F,CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C16H24N3O3.F6P/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;1-7(2,3,4,5)6/h9-12H,5-8H2,1-4H3;/q+1;-1",C16H24N3O3.F6P,,,,,,FNSXMWNULLSENH-UHFFFAOYSA-N,,,,,,,,,,,
100.063.653,270-039-8,68400-50-0,"4-(hexyloxy)-4'-pentyl-1,1'-biphenyl",4-(hexyloxy)-4'-pentylbiphenyl,CCCCCCOc1ccc(cc1)c2ccc(CCCCC)cc2,CCCCCCOc1ccc(cc1)c2ccc(CCCCC)cc2,"InChI=1/C23H32O/c1-3-5-7-9-19-24-23-17-15-22(16-18-23)21-13-11-20(12-14-21)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3",C23H32O,,,,,,MUNIEHKBAUCEJL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.655,270-041-9,68400-52-2,2-hydroxy-2-methyl-4'-propylpropiophenone,2-hydroxy-2-methyl-1-(4-propylphenyl)propan-1-one,CCCc1ccc(cc1)C(=O)C(C)(C)O,CCCc1ccc(cc1)C(=O)C(C)(C)O,"InChI=1/C13H18O2/c1-4-5-10-6-8-11(9-7-10)12(14)13(2,3)15/h6-9,15H,4-5H2,1-3H3",C13H18O2,,,,,,VOGSBOVWPQXXAH-UHFFFAOYSA-N,,,,,,,,,,,
100.065.380,271-939-3,68636-00-0,"Disodium 4-aminonaphthalene-2,6-disulphonate","disodium 4-aminonaphthalene-2,6-disulfonate",[Na+].[Na+].Nc1cc(cc2ccc(cc12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(cc2ccc(cc12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.2Na/c11-10-5-8(19(15,16)17)3-6-1-2-7(4-9(6)10)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H9NO6S2.2Na,,,,,,SUDBBOWLAJFXGH-UHFFFAOYSA-L,,,,,,,,,,,
100.065.385,271-945-6,68647-25-6,"Ethanol, 2-(2-butoxyethoxy)-, phosphate, potassium salt",-,[K+].CCCCOCCOCCOP(=O)([O-])[O-],[K+].CCCCOCCOCCOP(=O)([O-])[O-],"InChI=1/C8H19O6P.K/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11;/h2-8H2,1H3,(H2,9,10,11);/q;+1/p-2",-,,,,,,XYYBAJZIQGSOKS-UHFFFAOYSA-L,,,,,,,,,,,
100.065.387,271-947-7,68647-41-6,"Eicosanol, phosphate",icosyl phosphate,CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C20H43O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23/h2-20H2,1H3,(H2,21,22,23)/p-2",-,,,,,,XGIDNLGWAKKYQJ-UHFFFAOYSA-L,,,,,,,,,,,
100.066.747,273-443-2,68966-71-2,"2,2'-[[2,2-dimethyl-1-(1-methylethyl)propane-1,3-diyl]bis(oxy)]bisethanol","2,2'-[(2,2,4-trimethylpentane-1,3-diyl)bis(oxy)]diethanol",CC(C)C(OCCO)C(C)(C)COCCO,CC(C)C(OCCO)C(C)(C)COCCO,"InChI=1/C12H26O4/c1-10(2)11(16-8-6-14)12(3,4)9-15-7-5-13/h10-11,13-14H,5-9H2,1-4H3",C12H26O4,,,,,,GPKLLERXYXMLED-UHFFFAOYSA-N,,,,,,,,,,,
100.066.749,273-445-3,68966-77-8,Benzyl phenylundecanoate,benzyl 2-phenylundecanoate,CCCCCCCCCC(C(=O)OCc1ccccc1)c2ccccc2,CCCCCCCCCC(C(=O)OCc1ccccc1)c2ccccc2,"InChI=1/C24H32O2/c1-2-3-4-5-6-7-14-19-23(22-17-12-9-13-18-22)24(25)26-20-21-15-10-8-11-16-21/h8-13,15-18,23H,2-7,14,19-20H2,1H3",C24H32O2,,,,,,RJDYBAUOAOFGOA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.962,270-379-7,68426-00-6,"1,3,5-tris[[5-[[[(isopropylideneamino)oxy]carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris{[5-({[(isopropylideneamino)oxy]carbonyl}amino)-1,3,3-trimethylcyclohexyl]methyl}-1,3,5-triazinane-2,4,6-trione",CC(=NOC(=O)NC1CC(C)(C)CC(C)(CN2C(=O)N(CC3(C)CC(CC(C)(C)C3)NC(=O)ON=C(C)C)C(=O)N(CC4(C)CC(CC(C)(C)C4)NC(=O)ON=C(C)C)C2=O)C1)C,CC(=NOC(=O)NC1CC(C)(C)CC(C)(CN2C(=O)N(CC3(C)CC(CC(C)(C)C3)NC(=O)ON=C(C)C)C(=O)N(CC4(C)CC(CC(C)(C)C4)NC(=O)ON=C(C)C)C2=O)C1)C,"InChI=1/C45H75N9O9/c1-28(2)49-61-34(55)46-31-16-40(7,8)22-43(13,19-31)25-52-37(58)53(26-44(14)20-32(17-41(9,10)23-44)47-35(56)62-50-29(3)4)39(60)54(38(52)59)27-45(15)21-33(18-42(11,12)24-45)48-36(57)63-51-30(5)6/h31-33H,16-27H2,1-15H3,(H,46,55)(H,47,56)(H,48,57)",C45H75N9O9,,,,,,IWLXSRAMOWLNEW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.966,270-383-9,68426-04-0,"N-[3-[[[(4,5-dihydro-4-methyl-2-phenyl-1H-imidazol-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-4,5-dihydro-4-methyl-2-phenyl-1H-imidazole-1-carboxamide","4-methyl-2-phenyl-N-[(1,3,3-trimethyl-5-{[(4-methyl-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)carbonyl]amino}cyclohexyl)methyl]-4,5-dihydro-1H-imidazole-1-carboxamide",CC1CN(C(=O)NCC2(C)CC(CC(C)(C)C2)NC(=O)N3CC(C)N=C3c4ccccc4)C(=N1)c5ccccc5,CC1CN(C(=O)NCC2(C)CC(CC(C)(C)C2)NC(=O)N3CC(C)N=C3c4ccccc4)C(=N1)c5ccccc5,"InChI=1/C32H42N6O2/c1-22-18-37(27(34-22)24-12-8-6-9-13-24)29(39)33-21-32(5)17-26(16-31(3,4)20-32)36-30(40)38-19-23(2)35-28(38)25-14-10-7-11-15-25/h6-15,22-23,26H,16-21H2,1-5H3,(H,33,39)(H,36,40)",C32H42N6O2,,,,,,IKJUCDPTNAAYLC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.968,270-386-5,68426-06-2,a-(isopropyl)cyclohexanepropanol,1-cyclohexyl-4-methylpentan-3-ol,CC(C)C(O)CCC1CCCCC1,CC(C)C(O)CCC1CCCCC1,"InChI=1/C12H24O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3",C12H24O,,,,,,LACJNCMNBFXHBY-UHFFFAOYSA-N,,,,,,,,,,,
100.066.783,273-483-0,68975-84-8,"Oxydiethylene bis[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate]","oxydiethylene bis[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate]",CC1(C)CC(CC(C)(CNC(=O)[O-])C1)N=C=O.CC2(C)CC(CC(C)(CNC(=O)[O-])C2)N=C=O.C=COC=C,CC1(C)CC(CC(C)(CNC(=O)[O-])C1)N=C=O.CC2(C)CC(CC(C)(CNC(=O)[O-])C2)N=C=O.C=COC=C,"InChI=1/2C12H20N2O3.C4H6O/c2*1-11(2)4-9(14-8-15)5-12(3,6-11)7-13-10(16)17;1-3-5-4-2/h2*9,13H,4-7H2,1-3H3,(H,16,17);3-4H,1-2H2/p-2",C28H46N4O7,,,,,,IGXVMLOYWZAZCV-UHFFFAOYSA-L,,,,,,,,,,,
100.066.785,273-485-1,68978-46-1,"2-[4-[[[4-[2,5-dihydro-2-oxo-5-[(1-phenyl-1H-tetrazol-5-yl)thio]-4-oxazolyl]phenoxy]acetyl]amino]phenyl]-1-octadecyl-1H-benzimidazole-5-sulphonic acid","1-octadecyl-2-(4-{[(4-{2-oxo-5-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-2,5-dihydro-1,3-oxazol-4-yl}phenoxy)acetyl]amino}phenyl)-1H-benzimidazole-5-sulfonic acid",CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(NC(=O)COc4ccc(cc4)C5=NC(=O)OC5Sc6nnnn6c7ccccc7)cc3,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(NC(=O)COc4ccc(cc4)C5=NC(=O)OC5Sc6nnnn6c7ccccc7)cc3,"InChI=1/C49H58N8O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33-56-43-32-31-41(66(60,61)62)34-42(43)51-46(56)37-23-27-38(28-24-37)50-44(58)35-63-40-29-25-36(26-30-40)45-47(64-49(59)52-45)65-48-53-54-55-57(48)39-21-18-17-19-22-39/h17-19,21-32,34,47H,2-16,20,33,35H2,1H3,(H,50,58)(H,60,61,62)",C49H58N8O7S2,,,,,,DRCNWDNZGJQRLE-UHFFFAOYSA-N,,,,,,,,,,,
100.066.788,273-488-8,68986-77-6,Diphenyldodecane,"1,1'-dodecane-1,1-diyldibenzene",CCCCCCCCCCCC(c1ccccc1)c2ccccc2,CCCCCCCCCCCC(c1ccccc1)c2ccccc2,"InChI=1/C24H34/c1-2-3-4-5-6-7-8-9-16-21-24(22-17-12-10-13-18-22)23-19-14-11-15-20-23/h10-15,17-20,24H,2-9,16,21H2,1H3",C24H34,,,,,,MPUACKZXJBPMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.789,273-489-3,68987-29-1,"1-Octadecanol, phosphate, potassium salt",-,[K+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[K+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C18H39O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H2,19,20,21);/q;+1/p-2",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5523,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.789,NAQRNJLIUJLETI-UHFFFAOYSA-L,,,,,,,,,,,
100.089.122,298-081-2,93777-49-2,(Z)-octadec-9-enylammonium palmitate,octadec-9-en-1-aminium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC[NH3+],CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC[NH3+],"InChI=1/C18H37N.C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-19H2,1H3;2-15H2,1H3,(H,17,18)",C18H37N.C16H32O2,,,,,,FWSDXEJESHCMOJ-KVVVOXFISA-N,,,,,,,,,,,
100.090.346,299-428-0,93882-30-5,"Undecenoic acid, compound with morpholine (1:1)",undec-2-enoic acid - morpholine (1:1),OC(=O)C=CCCCCCCCC.C1CNCCO1,OC(=O)C=CCCCCCCCC.C1CNCCO1,"InChI=1/C11H20O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3-6-4-2-5-1/h9-10H,2-8H2,1H3,(H,12,13);5H,1-4H2",C11H20O2.C4H9NO,,,,,,OZXSVQHNSHKKTP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.350,299-432-2,93882-36-1,"3-methyl-1-(2,4,4-trimethylcyclohexen-1-yl)-2-buten-1-one","3-methyl-1-(2,4,4-trimethylcyclohex-1-en-1-yl)but-2-en-1-one",CC(=CC(=O)C1=C(C)CC(C)(C)CC1)C,CC(=CC(=O)C1=C(C)CC(C)(C)CC1)C,"InChI=1/C14H22O/c1-10(2)8-13(15)12-6-7-14(4,5)9-11(12)3/h8H,6-7,9H2,1-5H3",C14H22O,,,,,,RLDRENCYLPKBFK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.357,299-440-6,93882-45-2,Hexadecyl icosenoate,hexadecyl icos-2-enoate,CCCCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C36H70O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h32,34H,3-31,33,35H2,1-2H3",C36H70O2,,,,,,LKLKXFGZRLGRGI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.442,276-409-5,72152-54-6,"Disodium 4-[[4-(acetylmethylamino)-2-sulphonatophenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-9,10-dioxo-4-({4-[(2-oxopropyl)amino]-2-sulfonatophenyl}amino)-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].CC(=O)CNc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].CC(=O)CNc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C23H19N3O9S2.2Na/c1-11(27)10-25-12-6-7-15(17(8-12)36(30,31)32)26-16-9-18(37(33,34)35)21(24)20-19(16)22(28)13-4-2-3-5-14(13)23(20)29;;/h2-9,25-26H,10,24H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H19N3O9S2.2Na,,,,,,OWNPQPRUYNLRGQ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.447,276-414-2,72152-61-5,"Sodium 1-amino-4-[(3,5-dibromo-2,4,6-trimethylphenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(3,5-dibromo-2,4,6-trimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1c(Br)c(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1Br,[Na+].Cc1c(Br)c(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1Br,"InChI=1/C23H18Br2N2O5S.Na/c1-9-18(24)10(2)21(11(3)19(9)25)27-14-8-15(33(30,31)32)20(26)17-16(14)22(28)12-6-4-5-7-13(12)23(17)29;/h4-8,27H,26H2,1-3H3,(H,30,31,32);/q;+1/p-1",C23H18Br2N2O5S.Na,,,,,,YZYZEUCCLAQXOB-UHFFFAOYSA-M,,,,,,,,,,,
100.069.448,276-415-8,72152-62-6,"Disodium 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulphonatooxy)propoxy]-9,10-dioxo-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate","disodium 3-({4-amino-3-[2-hydroxy-3-(sulfonatooxy)propoxy]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonate",[Na+].[Na+].Cc1cc(C)c(c(C)c1Nc2cc(OCC(O)COS(=O)(=O)[O-])c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[Na+].[Na+].Cc1cc(C)c(c(C)c1Nc2cc(OCC(O)COS(=O)(=O)[O-])c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C26H26N2O11S2.2Na/c1-12-8-13(2)26(40(32,33)34)14(3)23(12)28-18-9-19(38-10-15(29)11-39-41(35,36)37)22(27)21-20(18)24(30)16-6-4-5-7-17(16)25(21)31;;/h4-9,15,28-29H,10-11,27H2,1-3H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C26H26N2O11S2.2Na,,,,,,GFQNVNHHOAYNSO-UHFFFAOYSA-L,,,,,,,,,,,
100.069.449,276-416-3,72152-63-7,"Disodium 7,7'-[[6-(phenylamino)-1,3,5-triazine-2,4-diyl]diimino]bis[4-hydroxy-3-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]naphthalene-2-sulphonate]","disodium 7,7'-[(6-anilino-1,3,5-triazine-2,4-diyl)diimino]bis(4-hydroxy-3-{[2-hydroxy-5-(methylsulfonyl)phenyl]diazenyl}naphthalene-2-sulfonate)",[Na+].[Na+].CS(=O)(=O)c8cc(N=Nc2c(cc1cc(ccc1c2O)Nc4nc(nc(Nc3ccccc3)n4)Nc6cc7cc(c(N=Nc5cc(ccc5O)S(C)(=O)=O)c(O)c7cc6)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc8,[Na+].[Na+].CS(=O)(=O)c8cc(N=Nc2c(cc1cc(ccc1c2O)Nc4nc(nc(Nc3ccccc3)n4)Nc6cc7cc(c(N=Nc5cc(ccc5O)S(C)(=O)=O)c(O)c7cc6)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc8,"InChI=1/C43H34N10O14S4.2Na/c1-68(58,59)27-10-14-33(54)31(20-27)50-52-37-35(70(62,63)64)18-22-16-25(8-12-29(22)39(37)56)45-42-47-41(44-24-6-4-3-5-7-24)48-43(49-42)46-26-9-13-30-23(17-26)19-36(71(65,66)67)38(40(30)57)53-51-32-21-28(69(2,60)61)11-15-34(32)55;;/h3-21,54-57H,1-2H3,(H,62,63,64)(H,65,66,67)(H3,44,45,46,47,48,49);;/q;2*+1/p-2",C43H34N10O14S4.2Na,,,,,,GCLHAUPBIWSQBY-UHFFFAOYSA-L,,,,,,,,,,,
100.063.979,270-398-0,68434-45-7,4-[(2-aminophenyl)methyl]-o-toluidine,4-(2-aminobenzyl)-2-methylaniline,Cc1cc(Cc2ccccc2N)ccc1N,Cc1cc(Cc2ccccc2N)ccc1N,"InChI=1/C14H16N2/c1-10-8-11(6-7-13(10)15)9-12-4-2-3-5-14(12)16/h2-8H,9,15-16H2,1H3",C14H16N2,,,,,,IJCUKGXISKDWIV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.993,270-414-6,68439-70-3,"Amines, C12-16-alkyldimethyl","N,N-dimethylhexadecan-1-amine",CCCCCCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCCCN(C)C,"InChI=1/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5705,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.993,NHLUVTZJQOJKCC-UHFFFAOYSA-N,,,,,,,,,,,
100.065.501,272-072-3,68683-34-1,"Disodium 2,2'-[(1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-diyl)bis[(1-oxopropane-3,1-diyl)imino]]bis[ethane-1-sulphonate]","disodium 2,2'-[(1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-diyl)bis[(1-oxopropane-3,1-diyl)imino]]bis[ethane-1-sulphonate]",[Na+].[Na+].CC1=C(CCC(=O)NCCS(=O)(=O)[O-])C(Cc2[nH]c(\\C=C/3\\NC(=O)C(=C3C)C=C)c(C)c2CCC(=O)NCCS(=O)(=O)[O-])N/C/1=C/C4=NC(=O)C(=C4C=C)C,[Na+].[Na+].CC1=C(CCC(=O)NCCS(=O)(=O)[O-])C(Cc2[nH]c(\C=C/3\NC(=O)C(=C3C)C=C)c(C)c2CCC(=O)NCCS(=O)(=O)[O-])N/C/1=C/C4=NC(=O)C(=C4C=C)C,"InChI=1/C37H46N6O10S2.2Na/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30;;/h7-8,17-18,33,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C37H46N6O10S2.2Na,,,,,,LTDAEPVPPSNLBE-GZEZKBSUSA-L,,,,,,,,,,,
100.065.510,272-082-8,68692-80-8,Diethyl 2-ethyl-2-(p-tolyl)malonate,diethyl ethyl(4-methylphenyl)malonate,CCOC(=O)C(CC)(C(=O)OCC)c1ccc(C)cc1,CCOC(=O)C(CC)(C(=O)OCC)c1ccc(C)cc1,"InChI=1/C16H22O4/c1-5-16(14(17)19-6-2,15(18)20-7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3",C16H22O4,,,,,,WOSXEDMIPFISAA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.515,272-088-0,68698-59-9,(E)-hex-2-enyl isovalerate,hex-2-en-1-yl 3-methylbutanoate,CCC\\C=C\\COC(=O)CC(C)C,CCC\C=C\COC(=O)CC(C)C,"InChI=1/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3",C11H20O2,,,,,,SAVRWHQEMHIAEB-VOTSOKGWSA-N,,,,,,,,,,,
100.065.526,272-100-4,68705-63-5,"(E)-3,7-dimethylocta-2,6-dienyl 2-methylbutyrate","3,7-dimethylocta-2,6-dien-1-yl 2-methylbutanoate",CCC(C)C(=O)OC\\C=C(/C)\\CCC=C(C)C,CCC(C)C(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3",C15H26O2,,,,,,PEQMAZJTEUEQJP-JLHYYAGUSA-N,,,,,,,,,,,
100.065.542,272-118-2,68738-92-1,"9,13-dimethyltetradecatetraen-5-one","9,13-dimethyltetradeca-1,3,6,8-tetraen-5-one",CC(C)CCCC(C)=CC=CC(=O)C=CC=C,CC(C)CCCC(C)=CC=CC(=O)C=CC=C,"InChI=1/C16H24O/c1-5-6-12-16(17)13-8-11-15(4)10-7-9-14(2)3/h5-6,8,11-14H,1,7,9-10H2,2-4H3",C16H24O,,,,,,WRLLYDMPXHJAQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.653,283-245-8,84583-92-6,"Trisodium 5-(acetylamino)-4-hydroxy-3-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate","trisodium 5-acetamido-4-hydroxy-3-({2-methoxy-5-methyl-4-[(4-nitro-2-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc4cc(N=Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(C)cc4N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc4cc(N=Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(C)cc4N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C26H22N6O14S3.3Na/c1-12-6-19(21(46-3)11-18(12)29-28-17-5-4-15(32(35)36)9-22(17)48(40,41)42)30-31-25-23(49(43,44)45)8-14-7-16(47(37,38)39)10-20(27-13(2)33)24(14)26(25)34;;;/h4-11,34H,1-3H3,(H,27,33)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C26H22N6O14S3.3Na,,,,,,MSKPSYHSTBZRNV-UHFFFAOYSA-K,,,,,,,,,,,
100.075.654,283-246-3,84583-93-7,"Sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulphonate","sodium 4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonate",[Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)c(c3)[N+]([O-])=O,[Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)c(c3)[N+]([O-])=O,"InChI=1/C16H13N5O7S.Na/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25;/h2-8,14,22H,1H3,(H,26,27,28);/q;+1/p-1",C16H13N5O7S.Na,,,,,,YCVTXQPYXXTSCX-UHFFFAOYSA-M,,,,,,,,,,,
100.071.881,279-093-7,79135-92-5,"Trisodium 4-amino-5-hydroxy-3-[[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]azo]-6-[(4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-[(4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}phenyl)diazenyl]-6-[(4-sulfonato-1-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].CC(=O)C(N=Nc1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc4ccc(c3ccccc34)S([O-])(=O)=O)c5O)S([O-])(=O)=O)C(=O)Nc6ccccc6,[Na+].[Na+].[Na+].CC(=O)C(N=Nc1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc4ccc(c3ccccc34)S([O-])(=O)=O)c5O)S([O-])(=O)=O)C(=O)Nc6ccccc6,"InChI=1/C36H28N8O12S3.3Na/c1-19(45)32(36(47)38-21-7-3-2-4-8-21)42-39-22-11-13-23(14-12-22)40-43-33-28(58(51,52)53)17-20-18-29(59(54,55)56)34(35(46)30(20)31(33)37)44-41-26-15-16-27(57(48,49)50)25-10-6-5-9-24(25)26;;;/h2-18,32,46H,37H2,1H3,(H,38,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C36H28N8O12S3.3Na,,,,,,QNOGCTQRPDELBQ-UHFFFAOYSA-K,,,,,,,,,,,
100.071.882,279-094-2,79135-93-6,"Dipotassium 4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-6-[[1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]toluene-3-sulphonate","dipotassium 2-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-{[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-methylbenzenesulfonate",[K+].[K+].Clc4c(F)nc(F)nc4Nc3cc(N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1)S([O-])(=O)=O)C2=O)c(C)cc3S([O-])(=O)=O,[K+].[K+].Clc4c(F)nc(F)nc4Nc3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1)S([O-])(=O)=O)C2=O)c(C)cc3S([O-])(=O)=O,"InChI=1/C21H15Cl2F2N7O7S2.2K/c1-8-5-15(41(37,38)39)13(26-19-16(23)18(24)27-21(25)28-19)7-12(8)29-30-17-9(2)31-32(20(17)33)10-3-4-14(11(22)6-10)40(34,35)36;;/h3-7,17H,1-2H3,(H,26,27,28)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C21H15Cl2F2N7O7S2.2K,,,,,,IWEHIFRMLAYGSG-UHFFFAOYSA-L,,,,,,,,,,,
100.071.883,279-095-8,79135-94-7,"Dipotassium 6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[[1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]toluene-3-sulphonate","dipotassium 4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-{[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-methylbenzenesulfonate",[K+].[K+].Clc4c(F)nc(F)nc4Nc3cc(N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1)S([O-])(=O)=O)C2=O)c(cc3C)S([O-])(=O)=O,[K+].[K+].Clc4c(F)nc(F)nc4Nc3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1)S([O-])(=O)=O)C2=O)c(cc3C)S([O-])(=O)=O,"InChI=1/C21H15Cl2F2N7O7S2.2K/c1-8-5-15(41(37,38)39)13(7-12(8)26-19-16(23)18(24)27-21(25)28-19)29-30-17-9(2)31-32(20(17)33)10-3-4-14(11(22)6-10)40(34,35)36;;/h3-7,17H,1-2H3,(H,26,27,28)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C21H15Cl2F2N7O7S2.2K,,,,,,HBLOCACVACHTGZ-UHFFFAOYSA-L,,,,,,,,,,,
100.071.884,279-096-3,79135-95-8,"Disodium 5-[(5-acetamido-2-sulphonatophenyl)azo]-6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulphonate","disodium 5-[(5-acetamido-2-sulfonatophenyl)diazenyl]-6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].CC(=O)Nc4cc(N=Nc1c(ccc2cc(cc(O)c12)S([O-])(=O)=O)Nc3c(C)cccc3C)c(cc4)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc4cc(N=Nc1c(ccc2cc(cc(O)c12)S([O-])(=O)=O)Nc3c(C)cccc3C)c(cc4)S([O-])(=O)=O,"InChI=1/C26H24N4O8S2.2Na/c1-14-5-4-6-15(2)25(14)28-20-9-7-17-11-19(39(33,34)35)13-22(32)24(17)26(20)30-29-21-12-18(27-16(3)31)8-10-23(21)40(36,37)38;;/h4-13,28,32H,1-3H3,(H,27,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C26H24N4O8S2.2Na,,,,,,DHZBKXIBVDACMJ-UHFFFAOYSA-L,,,,,,,,,,,
100.071.889,279-102-4,79156-94-8,9-(2-cyanoethyl)-9H-fluorene-9-carboxamide,9-(2-cyanoethyl)-9H-fluorene-9-carboxamide,NC(=O)C1(CCC#N)c2ccccc2c3ccccc13,NC(=O)C1(CCC#N)c2ccccc2c3ccccc13,"InChI=1/C17H14N2O/c18-11-5-10-17(16(19)20)14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10H2,(H2,19,20)",C17H14N2O,,,,,,VHPSPZRBIFYBNI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.377,275-237-8,71172-66-2,<U+03B3>-methoxy-4-methylbenzenebutenenitrile,4-methoxy-4-(4-methylphenyl)but-2-enenitrile,COC(C=CC#N)c1ccc(C)cc1,COC(C=CC#N)c1ccc(C)cc1,"InChI=1/C12H13NO/c1-10-5-7-11(8-6-10)12(14-2)4-3-9-13/h3-8,12H,1-2H3",C12H15NO,,,,,,XMFBINCYCMPLAO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.380,275-240-4,71172-78-6,1-(p-tolyl)cyclopropanecarbonitrile,1-(4-methylphenyl)cyclopropanecarbonitrile,Cc1ccc(cc1)C2(CC2)C#N,Cc1ccc(cc1)C2(CC2)C#N,"InChI=1/C11H11N/c1-9-2-4-10(5-3-9)11(8-12)6-7-11/h2-5H,6-7H2,1H3",C11H11N,,,,,,NMDIWHQRZLXXNV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.387,275-248-8,71173-63-2,L-histidine monoacetate,L-histidine acetate,CC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O,CC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1/C6H9N3O2.C2H4O2/c7-5(6(10)11)1-4-2-8-3-9-4;1-2(3)4/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H3,(H,3,4)",C6H9N3O2.C2H4O2,,,,,,HABAJMUFCIDFOT-JEDNCBNOSA-N,,,,,,,,,,,
100.068.394,275-256-1,71182-59-7,2-isobutylaniline,2-isobutylaniline,CC(C)Cc1ccccc1N,CC(C)Cc1ccccc1N,"InChI=1/C10H15N/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6,8H,7,11H2,1-2H3",C10H15N,,,,,,UCDCWSBXWOGCKR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.396,275-258-2,71195-66-9,"Sodium 4-[[9,10-dihydro-9,10-dioxo-4-(p-tolylamino)-1-anthryl]amino]toluene-3-sulphonate","sodium 5-methyl-2-({4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)benzenesulfonate",[Na+].Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)[O-])c4C(=O)c5ccccc5C(=O)c24)cc1,[Na+].Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)[O-])c4C(=O)c5ccccc5C(=O)c24)cc1,"InChI=1/C28H22N2O5S.Na/c1-16-7-10-18(11-8-16)29-22-13-14-23(30-21-12-9-17(2)15-24(21)36(33,34)35)26-25(22)27(31)19-5-3-4-6-20(19)28(26)32;/h3-15,29-30H,1-2H3,(H,33,34,35);/q;+1/p-1",C28H22N2O5S.Na,,,,,,HBWKFBRUDAQBCZ-UHFFFAOYSA-M,,,,,,,,,,,
100.068.407,275-270-8,71215-82-2,2-[[4-[ethyl(2-hydroxyisopropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride,"2-({4-[ethyl(2-hydroxy-1-methylethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium chloride",[Cl-].CC(CO)N(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[Cl-].CC(CO)N(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C20H25N4O2S.ClH/c1-5-24(14(2)13-25)16-8-6-15(7-9-16)21-22-20-23(3)18-11-10-17(26-4)12-19(18)27-20;/h6-12,14,25H,5,13H2,1-4H3;1H/q+1;/p-1",C20H25N4O2S.Cl,,,,,,WFPORKCLVFFAMS-UHFFFAOYSA-M,,,,,,,,,,,
100.067.237,273-981-8,69380-67-2,"Decane-1,2,9,10-tetrol","decane-1,2,9,10-tetrol",OCC(O)CCCCCCC(O)CO,OCC(O)CCCCCCC(O)CO,"InChI=1/C10H22O4/c11-7-9(13)5-3-1-2-4-6-10(14)8-12/h9-14H,1-8H2",C10H22O4,,,,,,DAFWFNCOQYVQDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.247,273-992-8,69416-61-1,Potassium (R)-(4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]acetate,potassium (4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate,[K+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OC)C([O-])=O,[K+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OC)C([O-])=O,"InChI=1/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1",C13H15NO5.K,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13205,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.247,HFDVONAPNRXRSV-UTONKHPSSA-M,,,,,,,,,,,
100.067.248,273-993-3,69418-53-7,Heptabromo-9H-fluorene,"1,2,3,4,5,6,7-heptabromo-9H-fluorene",Brc1cc2Cc3c(Br)c(Br)c(Br)c(Br)c3c2c(Br)c1Br,Brc1cc2Cc3c(Br)c(Br)c(Br)c(Br)c3c2c(Br)c1Br,"InChI=1/C13H3Br7/c14-5-2-3-1-4-7(6(3)10(17)9(5)16)11(18)13(20)12(19)8(4)15/h2H,1H2",C13H3Br7,,,,,,CWFQNUFAYVRXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.000,275-923-7,71732-94-0,"N-dodecylpropane-1,3-diamine hydrochloride","N-dodecylpropane-1,3-diamine hydrochloride",Cl.CCCCCCCCCCCCNCCCN,Cl.CCCCCCCCCCCCNCCCN,"InChI=1/C15H34N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16;/h17H,2-16H2,1H3;1H",C15H34N2.xClH,,,,,,HCHBZCWDQZSHBL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.010,275-934-7,71735-22-3,"1,3-dimethyl-2-methylene-1H-indoline","1,3-dimethyl-2-methyleneindoline",CC1C(=C)N(C)c2ccccc12,CC1C(=C)N(C)c2ccccc12,"InChI=1/C11H13N/c1-8-9(2)12(3)11-7-5-4-6-10(8)11/h4-8H,2H2,1,3H3",C11H13N,,,,,,XYKUJMLDHFKSIA-UHFFFAOYSA-N,,,,,,,,,,,
100.069.014,275-938-9,71735-26-7,[(2-methyl-4-nitrophenyl)amino]benzenesulphonic acid,2-[(2-methyl-4-nitrophenyl)amino]benzenesulfonic acid,Cc1cc(ccc1Nc2ccccc2S(=O)(=O)O)[N+](=O)[O-],Cc1cc(ccc1Nc2ccccc2S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C13H12N2O5S/c1-9-8-10(15(16)17)6-7-11(9)14-12-4-2-3-5-13(12)21(18,19)20/h2-8,14H,1H3,(H,18,19,20)",C13H12N2O5S,,,,,,DVDKGRJKDBYCDL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.023,275-948-3,71735-36-9,"Naphth[1,8-cd]-1,2-oxathiole-5-sulphonic acid 2,2-dioxide","naphtho[1,8-cd][1,2]oxathiole-5-sulfonic acid 2,2-dioxide",OS(=O)(=O)c1ccc2c3c(OS2(=O)=O)cccc13,OS(=O)(=O)c1ccc2c3c(OS2(=O)=O)cccc13,"InChI=1/C10H6O6S2/c11-17(12,13)8-4-5-9-10-6(8)2-1-3-7(10)16-18(9,14)15/h1-5H,(H,11,12,13)",C10H6O6S2,,,,,,NXJNYTLKBYZZQF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.024,275-949-9,71735-37-0,1-naphthylammonium acetate,naphthalen-1-aminium acetate,CC(=O)[O-].[NH3+]c1cccc2ccccc12,CC(=O)[O-].[NH3+]c1cccc2ccccc12,"InChI=1/C10H9N.C2H4O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2(3)4/h1-7H,11H2;1H3,(H,3,4)",C10H9N.C2H4O2,,,,,,IFGNKKKUQMYCLW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.366,299-450-0,93882-60-1,"[benzyldimethyl[3-[3-(dodecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] chloride","N-benzyl-3-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)Cc2ccccc2)C1=O,[Cl-].CCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)Cc2ccccc2)C1=O,"InChI=1/C28H47N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-16-20-26-23-27(31)29(28(26)32)21-17-22-30(2,3)24-25-18-14-13-15-19-25;/h13-15,18-19,26H,4-12,16-17,20-24H2,1-3H3;1H/q+1;/p-1",C28H45N2O2.Cl,,,,,,YRQCCBPKZGULQJ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.368,299-452-1,93882-63-4,[4-(tert-butyl)cyclohexyl] hydrogen 2-octadecenylsuccinate,3-{[(4-tert-butylcyclohexyl)oxy]carbonyl}henicos-5-enoate,O=C(OC1CCC(CC1)C(C)(C)C)C(CC([O-])=O)CC=CCCCCCCCCCCCCCCC,O=C(OC1CCC(CC1)C(C)(C)C)C(CC([O-])=O)CC=CCCCCCCCCCCCCCCC,"InChI=1/C32H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(26-30(33)34)31(35)36-29-24-22-28(23-25-29)32(2,3)4/h19-20,27-29H,5-18,21-26H2,1-4H3,(H,33,34)/p-1",C32H58O4,,,,,,OUATTWNYFJEZRM-UHFFFAOYSA-M,,,,,,,,,,,
100.092.006,301-253-2,93982-64-0,"Trisodium 4-amino-3-[[4-[[4-[(2,4-dihydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(2,4-dihydroxyphenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6cc(O)ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5,[Na+].[Na+].[Na+].Oc6cc(O)ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5,"InChI=1/C34H26N8O12S3.3Na/c35-31-30-18(15-29(57(52,53)54)33(34(30)45)42-38-20-4-2-1-3-5-20)14-28(56(49,50)51)32(31)41-39-22-10-12-25(27(16-22)55(46,47)48)36-19-6-8-21(9-7-19)37-40-24-13-11-23(43)17-26(24)44;;;/h1-17,36,43-45H,35H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C34H26N8O12S3.3Na,,,,,,VTAFVVOOWRRPBX-UHFFFAOYSA-K,,,,,,,,,,,
100.092.946,302-287-0,94107-54-7,5-bromo-2-phenyl-3-(2-pyridyl)-1H-indole,5-bromo-2-phenyl-3-pyridin-2-yl-1H-indole,Brc1ccc2[nH]c(c3ccccc3)c(c4ccccn4)c2c1,Brc1ccc2[nH]c(c3ccccc3)c(c4ccccn4)c2c1,"InChI=1/C19H13BrN2/c20-14-9-10-16-15(12-14)18(17-8-4-5-11-21-17)19(22-16)13-6-2-1-3-7-13/h1-12,22H",C19H13BrN2,,,,,,XFAMYNHHENIARL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.950,302-291-2,94107-58-1,2-amino-2-phenylbutyric acid hydrochloride,2-amino-2-phenylbutanoic acid hydrochloride,Cl.CCC(N)(C(=O)O)c1ccccc1,Cl.CCC(N)(C(=O)O)c1ccccc1,"InChI=1/C10H13NO2.ClH/c1-2-10(11,9(12)13)8-6-4-3-5-7-8;/h3-7H,2,11H2,1H3,(H,12,13);1H",C10H13NO2.ClH,,,,,,CFJWRBRHIGYHTE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.954,302-295-4,94107-62-7,(2-hydroxyethyl)ammonium pentadecyl sulphate,2-hydroxyethanaminium pentadecyl sulfate,CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C15H32O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;3-1-2-4/h2-15H2,1H3,(H,16,17,18);4H,1-3H2",C15H32O4S.C2H7NO,,,,,,VBGKQAYNBGPGDI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.955,302-297-5,94107-63-8,"(tert-butyl)[ß-oxo-3,4-bis(p-toluoyloxy)phenethyl]ammonium trifluoroacetate","N-(2-{3,4-bis[(4-methylbenzoyl)oxy]phenyl}-2-oxoethyl)-2-methylpropan-2-aminium trifluoroacetate",Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC(=O)c3ccc(C)cc3)C(=O)C[NH2+]C(C)(C)C.[O-]C(=O)C(F)(F)F,Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC(=O)c3ccc(C)cc3)C(=O)C[NH2+]C(C)(C)C.[O-]C(=O)C(F)(F)F,"InChI=1/C28H29NO5.C2HF3O2/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;3-2(4,5)1(6)7/h6-16,29H,17H2,1-5H3;(H,6,7)",C28H29NO5.C2HF3O2,,,,,,TUINJTHHEYURGI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.959,302-302-0,94107-67-2,Diammonium dihydrogen [(propylimino)bis(methylene)]diphosphonate,diammonium dihydrogen [(propylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.2H3N/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);2*1H3/p-2",C5H15NO6P2.2H3N,,,,,,IHHJYHPPYNJMPG-UHFFFAOYSA-L,,,,,,,,,,,
100.092.961,302-304-1,94107-69-4,[2-(stearoylamino)ethoxy]acetic acid,[2-(stearoylamino)ethoxy]acetic acid,CCCCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O,"InChI=1/C22H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-18-19-27-20-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26)",C22H43NO4,,,,,,ZWIYAJWMHYKEMP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.970,302-314-6,94107-78-5,Triammonium hydrogen [(propylimino)bis(methylene)]diphosphonate,triammonium hydrogen [(propylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.3H3N/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);3*1H3/p-1",C5H15NO6P2.3H3N,,,,,,GAJZIQCGMQHKIY-UHFFFAOYSA-M,,,,,,,,,,,
100.092.976,302-320-9,94107-84-3,"1,4-bis(1,1-dimethylethyl)-2,5-dimethylcyclohexane","1,4-di-tert-butyl-2,5-dimethylcyclohexane",CC1CC(C(C)CC1C(C)(C)C)C(C)(C)C,CC1CC(C(C)CC1C(C)(C)C)C(C)(C)C,"InChI=1/C16H32/c1-11-9-14(16(6,7)8)12(2)10-13(11)15(3,4)5/h11-14H,9-10H2,1-8H3",C16H32,,,,,,FQDMLHIUVNVOCP-UHFFFAOYSA-N,,,,,,,,,,,
100.065.546,272-122-4,68738-98-7,"3a,4,5,6,7,7a-hexahydro-6-methoxydimethyl-4,7-methano-1H-indene","1,1-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl methyl ether",COC1CC2CC1C3C2C=CC3(C)C,COC1CC2CC1C3C2C=CC3(C)C,"InChI=1/C13H20O/c1-13(2)5-4-9-8-6-10(12(9)13)11(7-8)14-3/h4-5,8-12H,6-7H2,1-3H3",C13H20O,,,,,,DLEMRFDETAPXPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.551,272-128-7,68739-06-0,1-[(dimethylphenyl)azo]-2-naphthol,"1-[(2,3-dimethylphenyl)diazenyl]-2-naphthol",Cc3cccc(N=Nc1c2ccccc2ccc1O)c3C,Cc3cccc(N=Nc1c2ccccc2ccc1O)c3C,"InChI=1/C18H16N2O/c1-12-6-5-9-16(13(12)2)19-20-18-15-8-4-3-7-14(15)10-11-17(18)21/h3-11,21H,1-2H3",C18H16N2O,,,,,,OZIPZYGKCQRLKN-UHFFFAOYSA-N,,,,,,,,,,,
100.065.552,272-129-2,68739-07-1,Sodium O-(sec-butyl) O-ethyl dithiophosphate,sodium O-sec-butyl O-ethyl dithiophosphate,[Na+].CCOP(=S)([S-])OC(C)CC,[Na+].CCOP(=S)([S-])OC(C)CC,"InChI=1/C6H15O2PS2.Na/c1-4-6(3)8-9(10,11)7-5-2;/h6H,4-5H2,1-3H3,(H,10,11);/q;+1/p-1",C6H15O2PS2.Na,,,,,,FYJJJQWHLRYNCV-UHFFFAOYSA-M,,,,,,,,,,,
100.065.555,272-132-9,68740-16-9,4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-nitroaniline,4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N-ethyl-2-nitroaniline,CCNc1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1[N+](=O)[O-],CCNc1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1[N+](=O)[O-],"InChI=1/C26H30N4O2/c1-2-27-24-14-13-21(19-25(24)30(31)32)20-28-15-17-29(18-16-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,26-27H,2,15-18,20H2,1H3",C26H30N4O2,,,,,,JRGOUUSIGNGBAP-UHFFFAOYSA-N,,,,,,,,,,,
100.065.558,272-136-0,68742-86-9,"(R)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolinium bromide","1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium bromide",[Br-].COc1cc2C[C@H]3[NH+](C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,[Br-].COc1cc2C[C@H]3[NH+](C)CCc4cc(OC)c(OC)c(c2cc1OC)c34,"InChI=1/C21H25NO4.BrH/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20;/h9-11,15H,6-8H2,1-5H3;1H",C21H25NO4.BrH,,,,,,DFFLCVRJWUOGPN-XFULWGLBSA-N,,,,,,,,,,,
100.065.559,272-137-6,68744-64-9,"5-(trifluoromethyl)-4H-1,2,4-triazole-3(2H)-thione","5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione",FC(F)(F)C1=NNC(=S)N1,FC(F)(F)C1=NNC(=S)N1,"InChI=1/C3H2F3N3S/c4-3(5,6)1-7-2(10)9-8-1/h(H2,7,8,9,10)",C3H2F3N3S,,,,,,GNXURBGECTYCRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.309,274-062-4,69648-40-4,Oxoprostol,2-(7-hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)cyclopentanone,OCCCCCCC[C@@H]1[C@@H](CCC(=O)COc2ccccc2)CCC1=O,OCCCCCCC[C@@H]1[C@@H](CCC(=O)COc2ccccc2)CCC1=O,"InChI=1/C22H32O4/c23-16-8-3-1-2-7-11-21-18(13-15-22(21)25)12-14-19(24)17-26-20-9-5-4-6-10-20/h4-6,9-10,18,21,23H,1-3,7-8,11-17H2",C22H32O4,,,,,,CQGDJYVHVNYIMQ-GHTZIAJQSA-N,,,,,,,,,,,
100.067.312,274-066-6,69668-87-7,Ethyl (Z)-oct-3-enoate,ethyl oct-3-enoate,CCCC\\C=C/CC(=O)OCC,CCCC\C=C/CC(=O)OCC,"InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h7-8H,3-6,9H2,1-2H3",C10H18O2,,,,,,BCMYNNIPTQUKAC-FPLPWBNLSA-N,,,,,,,,,,,
100.067.321,274-076-0,69674-66-4,"Sodium 2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)phenyl]propionate","sodium 2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoate",[Na+].CC(C(=O)[O-])c1ccc(cc1)N2Cc3ccccc3C2=O,[Na+].CC(C(=O)[O-])c1ccc(cc1)N2Cc3ccccc3C2=O,"InChI=1/C17H15NO3.Na/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19;/h2-9,11H,10H2,1H3,(H,20,21);/q;+1/p-1",C17H15NO3.Na,,,,,,VJRSTOCPCAPSSX-UHFFFAOYSA-M,,,,,,,,,,,
100.067.325,274-080-2,69680-03-1,"Diethyl sulphate, compound with N,N-diethyl-4-[(4-methyl-4H-1,2,4-triazol-3-yl)azo]aniline (1:1)","diethyl sulfate - N,N-diethyl-4-[(4-methyl-4H-1,2,4-triazol-3-yl)diazenyl]aniline (1:1)",Cn2cnnc2N=Nc1ccc(cc1)N(CC)CC.O=S(=O)(OCC)OCC,Cn2cnnc2N=Nc1ccc(cc1)N(CC)CC.O=S(=O)(OCC)OCC,"InChI=1/C13H18N6.C4H10O4S/c1-4-19(5-2)12-8-6-11(7-9-12)15-17-13-16-14-10-18(13)3;1-3-7-9(5,6)8-4-2/h6-10H,4-5H2,1-3H3;3-4H2,1-2H3",C13H18N6.C2H6O4S,,,,,,FJTYOGFBULARRR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.326,274-081-8,69685-04-7,Ethyl DL-cysteinate,ethyl L-cysteinate,CCOC(=O)[C@@H](N)CS,CCOC(=O)[C@@H](N)CS,"InChI=1/C5H11NO2S/c1-2-8-5(7)4(6)3-9/h4,9H,2-3,6H2,1H3",C5H11NO2S,,,,,,YVKSGVDJQXLXDV-BYPYZUCNSA-N,,,,,,,,,,,
100.067.327,274-082-3,69686-05-1,"3-[(6-deoxy-L-mannopyranosyl)oxy]-1,8-dihydroxy-6-methylanthraquinone","4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-deoxy-L-mannopyranoside",C[C@@H]1OC(Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1OC(Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3",C21H20O9,,,,,,DTTVUKLWJFJOHO-NXTHJCGOSA-N,,,,,,,,,,,
100.071.894,279-108-7,79181-95-6,"7-(ß-D-galactopyranosyloxy)-N-[4-(hexahydro-2,4,6-trioxo-5-phenylpyrimidin-5-yl)butyl]-2-oxo-2H-1-benzopyran-3-carboxamide","7-(beta-D-galactopyranosyloxy)-2-oxo-N-[4-(2,4,6-trioxo-5-phenylhexahydropyrimidin-5-yl)butyl]-2H-chromene-3-carboxamide",OC[C@H]1O[C@@H](Oc2ccc3C=C(C(=O)NCCCCC4(C(=O)NC(=O)NC4=O)c5ccccc5)C(=O)Oc3c2)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](Oc2ccc3C=C(C(=O)NCCCCC4(C(=O)NC(=O)NC4=O)c5ccccc5)C(=O)Oc3c2)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1/C30H31N3O12/c34-14-20-21(35)22(36)23(37)26(45-20)43-17-9-8-15-12-18(25(39)44-19(15)13-17)24(38)31-11-5-4-10-30(16-6-2-1-3-7-16)27(40)32-29(42)33-28(30)41/h1-3,6-9,12-13,20-23,26,34-37H,4-5,10-11,14H2,(H,31,38)(H2,32,33,40,41,42)",C30H31N3O12,,,,,,SMKXHFMSRJKLMK-AKWYRLHYSA-N,,,,,,,,,,,
100.071.896,279-110-8,79211-10-2,Iosimide,"N,N,N',N',N'',N''-hexakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3,5-tricarboxamide",OCCN(CCO)C(=O)c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I,OCCN(CCO)C(=O)c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I,"InChI=1/C21H30I3N3O9/c22-16-13(19(34)25(1-7-28)2-8-29)17(23)15(21(36)27(5-11-32)6-12-33)18(24)14(16)20(35)26(3-9-30)4-10-31/h28-33H,1-12H2",C21H30I3N3O9,,,,,,KZYHGCLDUQBASN-UHFFFAOYSA-N,,,,,,,,,,,
100.071.898,279-112-9,79211-41-9,"2,4,6-triiodobenzene-1,3,5-tricarboxylic acid","2,4,6-triiodobenzene-1,3,5-tricarboxylic acid",OC(=O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I,OC(=O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I,"InChI=1/C9H3I3O6/c10-4-1(7(13)14)5(11)3(9(17)18)6(12)2(4)8(15)16/h(H,13,14)(H,15,16)(H,17,18)",C9H3I3O6,,,,,,YLJAKJSGUDBOHG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.901,279-116-0,79234-33-6,"4-(phenylazo)benzene-1,3-diamine acetate","4-(phenyldiazenyl)benzene-1,3-diamine acetate",CC(O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2,CC(O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2,"InChI=1/C12H12N4.C2H4O2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)",C12H12N4.xC2H4O2,,,,,,VKWMKHKYDTTYER-UHFFFAOYSA-N,,,,,,,,,,,
100.073.751,281-151-1,83875-92-7,"2,4,5-tri-tert-butylphenol","2,4,5-tri-tert-butylphenol",CC(C)(C)c1cc(c(cc1O)C(C)(C)C)C(C)(C)C,CC(C)(C)c1cc(c(cc1O)C(C)(C)C)C(C)(C)C,"InChI=1/C18H30O/c1-16(2,3)12-10-14(18(7,8)9)15(19)11-13(12)17(4,5)6/h10-11,19H,1-9H3",C18H30O,,,,,,XRXSBCHCLGSTHW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.753,281-153-2,83877-84-3,"3-(2-chloro-1,1,2,2-tetrafluoroethoxy)propene","3-(2-chloro-1,1,2,2-tetrafluoroethoxy)prop-1-ene",FC(F)(Cl)C(F)(F)OCC=C,FC(F)(Cl)C(F)(F)OCC=C,"InChI=1/C5H5ClF4O/c1-2-3-11-5(9,10)4(6,7)8/h2H,1,3H2",C5H5ClF4O,,,,,,HDZABOXKGLGGSH-UHFFFAOYSA-N,,,,,,,,,,,
100.073.756,281-156-9,83877-87-6,4-(cyclohexylamino)piperidine-4-carboxamide,4-(cyclohexylamino)piperidine-4-carboxamide,NC(=O)C1(CCNCC1)NC2CCCCC2,NC(=O)C1(CCNCC1)NC2CCCCC2,"InChI=1/C12H23N3O/c13-11(16)12(6-8-14-9-7-12)15-10-4-2-1-3-5-10/h10,14-15H,1-9H2,(H2,13,16)",C12H23N3O,,,,,,IUPNXQPHGAGYNA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.767,281-168-4,83878-02-8,"Magnesium bis[1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene-10-sulphonate]","magnesium bis(1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene-10-sulfonate)",[Mg+2].[O-]S(=O)(=O)c1ccc2C3C(C4C(c2c1)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl.[O-]S(=O)(=O)c7ccc8C9C(C%10C(c8c7)C%11(Cl)C(=C(Cl)C%10(Cl)C%11(Cl)Cl)Cl)C%12(Cl)C(=C(Cl)C9(Cl)C%12(Cl)Cl)Cl,[Mg+2].[O-]S(=O)(=O)c1ccc2C3C(C4C(c2c1)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl.[O-]S(=O)(=O)c7ccc8C9C(C%10C(c8c7)C%11(Cl)C(=C(Cl)C%10(Cl)C%11(Cl)Cl)Cl)C%12(Cl)C(=C(Cl)C9(Cl)C%12(Cl)Cl)Cl,"InChI=1/2C20H8Cl12O3S.Mg/c2*21-11-13(23)17(27)9-7(15(11,25)19(17,29)30)5-2-1-4(36(33,34)35)3-6(5)8-10(9)18(28)14(24)12(22)16(8,26)20(18,31)32;/h2*1-3,7-10H,(H,33,34,35);/q;;+2/p-2",C20H8Cl12O3S.1/2Mg,,,,,,XYPUVAJOPBEMMY-UHFFFAOYSA-L,,,,,,,,,,,
100.073.769,281-171-0,83878-04-0,"Ethyl 2-(8-hydroxy-1,5-dimethylbicyclo[3.2.1]oct-8-yl)acetate","ethyl (8-hydroxy-1,5-dimethylbicyclo[3.2.1]oct-8-yl)acetate",CCOC(=O)CC1(O)C2(C)CCCC1(C)CC2,CCOC(=O)CC1(O)C2(C)CCCC1(C)CC2,"InChI=1/C14H24O3/c1-4-17-11(15)10-14(16)12(2)6-5-7-13(14,3)9-8-12/h16H,4-10H2,1-3H3",C14H24O3,,,,,,ADGFHVQVFSZWGS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.772,281-174-7,83882-67-1,1-[4-(difluoromethoxy)phenyl]ethan-1-one,1-[4-(difluoromethoxy)phenyl]ethanone,CC(=O)c1ccc(OC(F)F)cc1,CC(=O)c1ccc(OC(F)F)cc1,"InChI=1/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3",C9H8F2O2,,,,,,GIGWRVLNOYPOIT-UHFFFAOYSA-N,,,,,,,,,,,
100.073.773,281-175-2,83890-22-6,"2,2-dimethyl-1,3,6,9,12,15-hexaoxa-2-silacycloheptadecane","2,2-dimethyl-1,3,6,9,12,15-hexaoxa-2-silacycloheptadecane",C[Si]1(C)OCCOCCOCCOCCOCCO1,C[Si]1(C)OCCOCCOCCOCCOCCO1,"InChI=1/C12H26O6Si/c1-19(2)17-11-9-15-7-5-13-3-4-14-6-8-16-10-12-18-19/h3-12H2,1-2H3",C12H26O6Si,,,,,,VYPNMUSYTNBGQH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.421,284-094-0,84777-64-0,Thiodipropanol,"1,1'-sulfanediyldipropan-1-ol",CCC(O)SC(O)CC,CCC(O)SC(O)CC,"InChI=1/C6H14O2S/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3",C6H14O2S,,,,,,GIBCLKWPGBLJGD-UHFFFAOYSA-N,,,,,,,,,,,
100.076.431,284-104-3,84783-67-5,1-(4-methylsulphonylphenyl)thiourea,1-[4-(methylsulfonyl)phenyl]thiourea,CS(=O)(=O)c1ccc(NC(=S)N)cc1,CS(=O)(=O)c1ccc(NC(=S)N)cc1,"InChI=1/C8H10N2O2S2/c1-14(11,12)7-4-2-6(3-5-7)10-8(9)13/h2-5H,1H3,(H3,9,10,13)",C8H10N2O2S2,,,,,,GZVDZCUMARHBQV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.718,283-317-9,84604-38-6,"1-(3,3,5-trimethylcyclohexyl)propan-1-one","1-(3,3,5-trimethylcyclohexyl)propan-1-one",CCC(=O)C1CC(C)CC(C)(C)C1,CCC(=O)C1CC(C)CC(C)(C)C1,"InChI=1/C12H22O/c1-5-11(13)10-6-9(2)7-12(3,4)8-10/h9-10H,5-8H2,1-4H3",C12H22O,,,,,,AQNZBQGJMZUXQX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.659,270-046-6,68400-56-6,Trisodium hydrogen [[4-[[4-[[4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-7-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]phenyl]amino]oxoacetate,hydrogen trisodium [(4-{[4-({4-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}phenyl)amino](oxo)acetate,[H+].[Na+].[Na+].[Na+].[O-]C(=O)C(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc3cc(c2ccccc2c3O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6ccc(cc67)S([O-])(=O)=O,[H+].[Na+].[Na+].[Na+].[O-]C(=O)C(=O)Nc1ccc(cc1)N=Nc7ccc(N=Nc5ccc(N=Nc3cc(c2ccccc2c3O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6ccc(cc67)S([O-])(=O)=O,"InChI=1/C38H25N7O13S3.3Na.H2/c46-36-27-4-2-1-3-26(27)35(61(56,57)58)19-34(36)45-43-31-14-16-33(29-18-23(60(53,54)55)10-12-25(29)31)44-42-30-13-15-32(28-17-22(59(50,51)52)9-11-24(28)30)41-40-21-7-5-20(6-8-21)39-37(47)38(48)49;;;;/h1-19,46H,(H,39,47)(H,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;1H/q;4*+1/p-4",C38H25N7O13S3.3Na,,,,,,GLGOIULIXYAJLJ-UHFFFAOYSA-K,,,,,,,,,,,
100.068.417,275-281-8,71241-63-9,"4-benzoyl-2,6-dibromo-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","4-benzoyl-2,6-dibromo-1,3-phenylene bis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",Brc1cc(C(=O)c2ccccc2)c(OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34)c(Br)c1OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56,Brc1cc(C(=O)c2ccccc2)c(OS(=O)(=O)c3cccc4C(=O)C(=[N+]=[N-])C=Cc34)c(Br)c1OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56,"InChI=1/C33H16Br2N4O9S2/c34-23-16-22(29(40)17-6-2-1-3-7-17)32(47-49(43,44)26-10-4-8-20-18(26)12-14-24(38-36)30(20)41)28(35)33(23)48-50(45,46)27-11-5-9-21-19(27)13-15-25(39-37)31(21)42/h1-16H",C33H16Br2N4O9S2,,,,,,ZTSPFZUUDRPSLP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.434,275-301-5,71247-67-1,Calcium tetracosanoate,calcium ditetracosanoate,[Ca+2].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C24H48O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2*2-23H2,1H3,(H,25,26);/q;;+2/p-2",C24H48O2.1/2Ca,,,,,,YOZFTYACGFBXEV-UHFFFAOYSA-L,,,,,,,,,,,
100.068.438,275-305-7,71258-18-9,1-benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride,1-benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride,Cl.N#CC1(CCN(Cc2ccccc2)CC1)c3ccccc3,Cl.N#CC1(CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H",C19H20N2.ClH,,,,,,SPXFNRMZPRHYRH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.441,275-308-3,71278-42-7,Sodium 6-amino-5-[[3-[(ethylphenylamino)sulphonyl]-4-methylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,[Na+].CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,"InChI=1/C25H24N4O6S2.Na/c1-3-29(19-7-5-4-6-8-19)36(31,32)23-14-18(11-9-16(23)2)27-28-25-21(26)12-10-17-13-20(37(33,34)35)15-22(30)24(17)25;/h4-15,30H,3,26H2,1-2H3,(H,33,34,35);/q;+1/p-1",C25H24N4O6S2.Na,,,,,,IJESOQOVMZHUCE-UHFFFAOYSA-M,,,,,,,,,,,
100.068.443,275-310-4,71302-58-4,4-[[4-(tert-butyl)phenoxy]methyl]-5-nitroveratrole,"1-[(4-tert-butylphenoxy)methyl]-4,5-dimethoxy-2-nitrobenzene",COc1cc(COc2ccc(cc2)C(C)(C)C)c(cc1OC)[N+](=O)[O-],COc1cc(COc2ccc(cc2)C(C)(C)C)c(cc1OC)[N+](=O)[O-],"InChI=1/C19H23NO5/c1-19(2,3)14-6-8-15(9-7-14)25-12-13-10-17(23-4)18(24-5)11-16(13)20(21)22/h6-11H,12H2,1-5H3",C19H23NO5,,,,,,MJXVEVVESMBQBK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.444,275-312-5,71302-67-5,"Octadecyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:2)","octadecyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OCCCCCCCCCCCCCCCCCC,OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C18H39O4P.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;2*8-4-1-7(2-5-9)3-6-10/h2-18H2,1H3,(H2,19,20,21);2*8-10H,1-6H2",C18H39O4P.2C6H15NO3,,,,,,IIUVXZIMGSZDKN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.450,275-318-8,71317-46-9,Tris(2-hydroxyethyl)ammonium hexacosyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium hexacosyl sulfate",CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C26H54O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29;8-4-1-7(2-5-9)3-6-10/h2-26H2,1H3,(H,27,28,29);8-10H,1-6H2",C26H54O4S.C6H15NO3,,,,,,LUTBEOFTIYAGLI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.039,275-966-1,71735-75-6,"Disodium 7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)(methyl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].CN(c1nc(OC)nc(Cl)n1)c3cc4cc(c(N=Nc2ccccc2S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O,[Na+].[Na+].CN(c1nc(OC)nc(Cl)n1)c3cc4cc(c(N=Nc2ccccc2S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O,"InChI=1/C21H17ClN6O8S2.2Na/c1-28(20-23-19(22)24-21(25-20)36-2)12-7-8-13-11(9-12)10-16(38(33,34)35)17(18(13)29)27-26-14-5-3-4-6-15(14)37(30,31)32;;/h3-10,29H,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C21H17ClN6O8S2.2Na,,,,,,HOJOJKMJTXPFFO-UHFFFAOYSA-L,,,,,,,,,,,
100.069.040,275-967-7,71735-79-0,"Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene","1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene",CC1(C)C\\C=C/CC\\C=C/CCC2OC12C,CC1(C)C\C=C/CC\C=C/CCC2OC12C,"InChI=1/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3",C15H24O,,,,,,PUXIGTZUWRBNMW-RRMOSLQNSA-N,,,,,,,,,,,
100.069.046,275-974-5,71750-42-0,(methylthio)benzaldehyde,2-(methylsulfanyl)benzaldehyde,CSc1ccccc1C=O,CSc1ccccc1C=O,"InChI=1/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3",C8H8OS,,,,,,XIOBUABQJIVPCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.795,299-921-0,93918-41-3,"N,N'-[fluoranthene-3,8-diylbis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)","N,N'-{fluoranthene-3,8-diylbis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide",O=C(Nc1ccc(Nc2ccc3c4ccc(Nc5ccc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c57)c9cccc(c3c2)c49)c%10C(=O)c%11ccccc%11C(=O)c1%10)c%12ccccc%12,O=C(Nc1ccc(Nc2ccc3c4ccc(Nc5ccc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c57)c9cccc(c3c2)c49)c%10C(=O)c%11ccccc%11C(=O)c1%10)c%12ccccc%12,"InChI=1/C58H34N4O6/c63-53-37-16-7-9-18-39(37)55(65)51-46(61-57(67)31-12-3-1-4-13-31)28-26-44(49(51)53)59-33-22-23-34-36-24-25-43(41-21-11-20-35(48(36)41)42(34)30-33)60-45-27-29-47(62-58(68)32-14-5-2-6-15-32)52-50(45)54(64)38-17-8-10-19-40(38)56(52)66/h1-30,59-60H,(H,61,67)(H,62,68)",C58H34N4O6,,,,,,XOIJSJYZLUNZQV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.799,299-925-2,93918-46-8,"N,N'-(iminodiethylene)bismyristamide","N,N'-(iminodiethane-2,1-diyl)ditetradecanamide",CCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCC,"InChI=1/C32H65N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-31(36)34-29-27-33-28-30-35-32(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-30H2,1-2H3,(H,34,36)(H,35,37)",C32H65N3O2,,,,,,NQOXAPDVEVCWLR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.802,299-928-9,93918-49-1,"N,N'-[ethylenebis(iminoethylene)]bis(dodecanamide)","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]didodecanamide",CCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCC,"InChI=1/C30H62N4O2/c1-3-5-7-9-11-13-15-17-19-21-29(35)33-27-25-31-23-24-32-26-28-34-30(36)22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-28H2,1-2H3,(H,33,35)(H,34,36)",C30H62N4O2,,,,,,TVBANASQCOWJTC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.805,299-932-0,93918-52-6,"N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis(9,12,15-octadecatrienamide)","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisoctadeca-9,12,15-trienamide",CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC,CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC,"InChI=1/C42H74N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,43-44H,3-4,9-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48)",C42H74N4O2,,,,,,UAWJDQLAODOCSH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.806,299-933-6,93918-53-7,"N,N'-[iminobis(2,1-ethanediylimino-2,1-ethanediyl)]bis(9-octadecenamide)","N-(13-oxo-3,6,9,12-tetraazatriacont-21-en-1-yl)octadec-9-enamide (non-preferred name)",CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C44H87N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45-47H,3-16,21-42H2,1-2H3,(H,48,50)(H,49,51)",C44H87N5O2,,,,,,KYVMYYMBMFHFLN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.808,299-935-7,93918-55-9,"N,N'-[iminobis(2,1-ethanediylimino-2,1-ethanediyl)]bis(9,12,15-octadecatrienamide)","N-(13-oxo-3,6,9,12-tetraazatriaconta-21,24,27-trien-1-yl)octadeca-9,12,15-trienamide (non-preferred name)",CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC,CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC,"InChI=1/C44H79N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,45-47H,3-4,9-10,15-16,21-42H2,1-2H3,(H,48,50)(H,49,51)",C44H79N5O2,,,,,,XBKVBMWZSPLVCK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.811,299-938-3,93918-58-2,"N,N'-(iminoethylene)bismyristamide monoacetate","N,N'-(1-iminoethane-1,2-diyl)ditetradecanamide acetate",CCCCCCCCCCCCCC(=O)NCC(=N)NC(=O)CCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCC(=O)NCC(=N)NC(=O)CCCCCCCCCCCCC.CC(=O)O,"InChI=1/C30H59N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(34)32-27-28(31)33-30(35)26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-27H2,1-2H3,(H,32,34)(H2,31,33,35);1H3,(H,3,4)",C32H65N3O2.C2H4O2,,,,,,YKQPDQIZBGJPBC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.815,299-943-0,93918-63-9,"N,N'-(iminodiethylene)bis(octadeca-9,12,15-trienamide) monoacetate","N,N'-(iminodiethane-2,1-diyl)bisoctadeca-9,12,15-trienamide acetate",O=C(NCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,O=C(NCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,"InChI=1/C40H69N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h5-8,11-14,17-20,41H,3-4,9-10,15-16,21-38H2,1-2H3,(H,42,44)(H,43,45);1H3,(H,3,4)",C40H69N3O2.C2H4O2,,,,,,SHGVHLXFWSSXDC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.824,299-953-5,93918-72-0,Diammonium erbium pentanitrate,diammonium erbium pentanitrate,[NH4+].[NH4+].[Er+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Er+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Er.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2,Er.2H3N.5HNO3,,,,,,JRUWSNIXLPCQJU-UHFFFAOYSA-P,,,,,,,,,,,
100.090.825,299-954-0,93918-73-1,Dierbium trimagnesium dodecanitrate,dierbium trimagnesium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[Er+3].[Er+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[Er+3].[Er+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2Er.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1,Er.6HNO3.3/2Mg,,,,,,DNGVCKNQCBZEET-UHFFFAOYSA-N,,,,,,,,,,,
100.090.826,299-955-6,93918-74-2,Diammonium holmium pentanitrate,diammonium holmium pentanitrate,[NH4+].[NH4+].[Ho+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Ho+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ho.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2,H3N.5/2HNO3.1/2Ho,,,,,,VSDKKOIBVZJWJM-UHFFFAOYSA-P,,,,,,,,,,,
100.067.339,274-095-4,69723-86-0,"Disodium 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Nc4nc(Nc3cc(cc2cc(c(N=Nc1cc(ccc1O)[N+]([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,[Na+].[Na+].Nc4nc(Nc3cc(cc2cc(c(N=Nc1cc(ccc1O)[N+]([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4,"InChI=1/C19H13ClN8O10S2.2Na/c20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;/h1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;/q;2*+1/p-2",C19H13ClN8O10S2.2Na,,,,,,QVRFXMZQDWYBSU-UHFFFAOYSA-L,,,,,,,,,,,
100.069.483,276-454-0,72200-74-9,Hex-3-enyl benzoate,hex-3-en-1-yl benzoate,O=C(OCCC=CCC)c1ccccc1,O=C(OCCC=CCC)c1ccccc1,"InChI=1/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3",C13H16O2,,,,,,BCOXBEHFBZOJJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.498,276-470-8,72208-20-9,"2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-(2-{4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",CCN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]P(=O)([O-])[O-],CCN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]P(=O)([O-])[O-],"InChI=1/C25H30N3.H3O4P/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-5(2,3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3",C25H30N3.H2O4P,,,,,,WIUVJBSMLKSOOV-UHFFFAOYSA-K,,,,,,,,,,,
100.069.499,276-471-3,72208-21-0,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate","2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate",CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-],CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-],"InChI=1/C23H26N3.H3O4P/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5(2,3)4/h5-6,8-15H,7,17H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C23H26N3.H2O4P,,,,,,XVIVSJJRGUZEAO-UHFFFAOYSA-K,,,,,,,,,,,
100.065.563,272-141-8,68756-64-9,Methyl 2-hydroxyhexanoate,methyl 2-hydroxyhexanoate,CCCCC(O)C(=O)OC,CCCCC(O)C(=O)OC,"InChI=1/C7H14O3/c1-3-4-5-6(8)7(9)10-2/h6,8H,3-5H2,1-2H3",C7H14O3,,,,,,IJQZYNRJICMGLS-UHFFFAOYSA-N,,,,,,,,,,,
100.065.567,272-146-5,68758-55-4,"2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)sulphonyl]amino]ethyl acrylate","2-{methyl[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)sulfonyl]amino}ethyl acrylate",CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C21H12F29NO4S/c1-3-7(52)55-5-4-51(2)56(53,54)6-8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)18(42,43)19(44,45)20(46,47)21(48,49)50/h3H,1,4-6H2,2H3",C21H12F29NO4S,,,,,,VDZHRFMUCNLGTO-UHFFFAOYSA-N,,,,,,,,,,,
100.065.582,272-162-2,68758-87-2,5-[5-[(6-ethoxy-1-ethyl-1H-quinolin-2-ylidene)ethylidene]-3-ethyl-4-oxothiazolidin-2-ylidene]-4-oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid,"(5-{5-[2-(6-ethoxy-1-ethylquinolin-2(1H)-ylidene)ethylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetic acid",OC(=O)CN2C(=S)N(c1ccccc1)C(=O)C2=C5SC(=CC=C4/C=C\\c3cc(OCC)ccc3N4CC)C(=O)N5CC,OC(=O)CN2C(=S)N(c1ccccc1)C(=O)C2=C5SC(=CC=C4/C=C\c3cc(OCC)ccc3N4CC)C(=O)N5CC,"InChI=1/C31H30N4O5S2/c1-4-32-21(13-12-20-18-23(40-6-3)15-16-24(20)32)14-17-25-28(38)33(5-2)30(42-25)27-29(39)35(22-10-8-7-9-11-22)31(41)34(27)19-26(36)37/h7-18H,4-6,19H2,1-3H3,(H,36,37)",C31H30N4O5S2,,,,,,WGWPYVUPZBSOPX-UHFFFAOYSA-N,,,,,,,,,,,
100.065.585,272-165-9,68766-98-3,Sodium 5-oxo-D-prolinate,sodium 5-oxopyrrolidine-2-carboxylate,[Na+].[O-]C(=O)[C@H]1CCC(=O)N1,[Na+].[O-]C(=O)[C@H]1CCC(=O)N1,"InChI=1/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.Na,,,,,,CRPCXAMJWCDHFM-AENDTGMFSA-M,,,,,,,,,,,
100.068.500,275-373-8,71411-69-3,Ammonium 5-amino-2-nitrobenzenesulphonate,ammonium 5-amino-2-nitrobenzenesulfonate,[NH4+].Nc1ccc(c(c1)S(=O)(=O)[O-])[N+](=O)[O-],[NH4+].Nc1ccc(c(c1)S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C6H6N2O5S.H3N/c7-4-1-2-5(8(9)10)6(3-4)14(11,12)13;/h1-3H,7H2,(H,11,12,13);1H3",C6H6N2O5S.H3N,,,,,,PYYHPWAJORDQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.506,275-380-6,71411-75-1,"6-amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one","6-amino-5-octyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",CCCCCCCCC1=C(N)NC(=S)NC1=O,CCCCCCCCC1=C(N)NC(=S)NC1=O,"InChI=1/C12H21N3OS/c1-2-3-4-5-6-7-8-9-10(13)14-12(17)15-11(9)16/h2-8H2,1H3,(H4,13,14,15,16,17)",C12H21N3OS,,,,,,GQSSHZFLZUFCRK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.533,275-410-8,71412-02-7,(aminomethyl)cyclohexan-1-ol,1-(aminomethyl)cyclohexanol,NCC1(O)CCCCC1,NCC1(O)CCCCC1,"InChI=1/C7H15NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-6,8H2",C7H15NO,,,,,,XUSXTHMTOSFZII-UHFFFAOYSA-N,,,,,,,,,,,
100.066.644,273-330-8,68957-31-3,N-ethyl-N-[(undecafluoropentyl)sulphonyl]glycine,N-ethyl-N-[(undecafluoropentyl)sulfonyl]glycine,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H8F11NO4S/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h2-3H2,1H3,(H,22,23)",C9H8F11NO4S,,,,,,MJELJHFNXRAPHF-UHFFFAOYSA-N,,,,,,,,,,,
100.066.646,273-332-9,68957-33-5,N-ethyl-N-[(nonafluorobutyl)sulphonyl]glycine,N-ethyl-N-[(nonafluorobutyl)sulfonyl]glycine,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H8F9NO4S/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-3H2,1H3,(H,19,20)",C8H8F9NO4S,,,,,,PAOHBPWWJXVFBM-UHFFFAOYSA-N,,,,,,,,,,,
100.075.722,283-322-6,84604-42-2,"1,3-benzodioxol-5-ylmethyl isovalerate","1,3-benzodioxol-5-ylmethyl 3-methylbutanoate",CC(C)CC(=O)OCc1ccc2OCOc2c1,CC(C)CC(=O)OCc1ccc2OCOc2c1,"InChI=1/C13H16O4/c1-9(2)5-13(14)15-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3",C13H16O4,,,,,,HETOAXKLYRCONC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.723,283-323-1,84604-43-3,"1,3-benzodioxol-5-ylmethyl 2-methylbutyrate","1,3-benzodioxol-5-ylmethyl 2-methylbutanoate",CCC(C)C(=O)OCc1ccc2OCOc2c1,CCC(C)C(=O)OCc1ccc2OCOc2c1,"InChI=1/C13H16O4/c1-3-9(2)13(14)15-7-10-4-5-11-12(6-10)17-8-16-11/h4-6,9H,3,7-8H2,1-2H3",C13H16O4,,,,,,BDQVWTJEMUNXSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.911,279-127-0,79285-13-5,"N-[5-[[4-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-2-chlorophenyl]-a-(2,2-dimethylpropionyl)-3-(hexylthio)-1H-1,2,4-triazole-1-acetamide","N-[5-({4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-2-[3-(hexylsulfanyl)-1H-1,2,4-triazol-1-yl]-4,4-dimethyl-3-oxopentanamide",CCCCCCSc1ncn(n1)C(C(=O)Nc2cc(NC(=O)CCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC)ccc2Cl)C(=O)C(C)(C)C,CCCCCCSc1ncn(n1)C(C(=O)Nc2cc(NC(=O)CCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC)ccc2Cl)C(=O)C(C)(C)C,"InChI=1/C41H60ClN5O4S/c1-11-14-15-16-24-52-38-43-27-47(46-38)35(36(49)39(4,5)6)37(50)45-32-26-29(20-21-31(32)42)44-34(48)18-17-23-51-33-22-19-28(40(7,8)12-2)25-30(33)41(9,10)13-3/h19-22,25-27,35H,11-18,23-24H2,1-10H3,(H,44,48)(H,45,50)",C41H60ClN5O4S,,,,,,QOHXXQHCSTXTLH-UHFFFAOYSA-N,,,,,,,,,,,
100.071.929,279-146-4,79392-41-9,"4,4'-diamino-2',6-dimethyl[1,1'-biphenyl]-3-sulphonic acid","4,4'-diamino-2',6-dimethylbiphenyl-3-sulfonic acid",Cc1cc(N)ccc1c2cc(c(N)cc2C)S(=O)(=O)O,Cc1cc(N)ccc1c2cc(c(N)cc2C)S(=O)(=O)O,"InChI=1/C14H16N2O3S/c1-8-5-10(15)3-4-11(8)12-7-14(20(17,18)19)13(16)6-9(12)2/h3-7H,15-16H2,1-2H3,(H,17,18,19)",C14H16N2O3S,,,,,,OPNYQMLDNXVVPX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.937,279-155-3,79430-84-5,4-[(benzyl)amino]butyramide monohydrochloride,4-(benzylamino)butanamide hydrochloride,Cl.NC(=O)CCCNCc1ccccc1,Cl.NC(=O)CCCNCc1ccccc1,"InChI=1/C11H16N2O.ClH/c12-11(14)7-4-8-13-9-10-5-2-1-3-6-10;/h1-3,5-6,13H,4,7-9H2,(H2,12,14);1H",C11H16N2O.ClH,,,,,,NQXYGBREFLDTQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.942,279-161-6,79449-99-3,Icospiramide,"2-{8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide",NC(=O)CN1CN(c2ccc(F)cc2)C3(CCN(CC3)[C@@H]4CC[C@@](CC4)(C#N)c5ccc(F)cc5)C1=O,NC(=O)CN1CN(c2ccc(F)cc2)C3(CCN(CC3)[C@@H]4CC[C@@](CC4)(C#N)c5ccc(F)cc5)C1=O,"InChI=1/C28H31F2N5O2/c29-21-3-1-20(2-4-21)27(18-31)11-9-23(10-12-27)33-15-13-28(14-16-33)26(37)34(17-25(32)36)19-35(28)24-7-5-22(30)6-8-24/h1-8,23H,9-17,19H2,(H2,32,36)",C28H31F2N5O2,,,,,,HVWIHGNIDIIREZ-JIBACQESSA-N,,,,,,,,,,,
100.071.943,279-162-1,79455-63-3,2-chloro-6-fluorobenzoyl chloride,2-chloro-6-fluorobenzoyl chloride,Fc1cccc(Cl)c1C(=O)Cl,Fc1cccc(Cl)c1C(=O)Cl,InChI=1/C7H3Cl2FO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H,C7H3Cl2FO,,,,,,GFNAJZAKJGKJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.816,281-222-7,83898-14-0,<U+03B3>-ethoxy-4-methylbenzenebutyronitrile,4-ethoxy-4-(4-methylphenyl)butanenitrile,CCOC(CCC#N)c1ccc(C)cc1,CCOC(CCC#N)c1ccc(C)cc1,"InChI=1/C13H17NO/c1-3-15-13(5-4-10-14)12-8-6-11(2)7-9-12/h6-9,13H,3-5H2,1-2H3",C13H17NO,,,,,,XNTCRZPEWZRCPA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.820,281-226-9,83898-18-4,"3-(2-hydroxy-m-tolyl)-1,1-dimethylurea","3-(2-hydroxy-3-methylphenyl)-1,1-dimethylurea",CN(C)C(=O)Nc1cccc(C)c1O,CN(C)C(=O)Nc1cccc(C)c1O,"InChI=1/C10H14N2O2/c1-7-5-4-6-8(9(7)13)11-10(14)12(2)3/h4-6,13H,1-3H3,(H,11,14)",C10H14N2O2,,,,,,RRNUCYMPMFVIGK-UHFFFAOYSA-N,,,,,,,,,,,
100.073.822,281-229-5,83898-20-8,4-[1-(2-phenylethyl)tridecyl]pyridine,4-[1-(2-phenylethyl)tridecyl]pyridine,CCCCCCCCCCCCC(CCc1ccccc1)c2ccncc2,CCCCCCCCCCCCC(CCc1ccccc1)c2ccncc2,"InChI=1/C26H39N/c1-2-3-4-5-6-7-8-9-10-14-17-25(26-20-22-27-23-21-26)19-18-24-15-12-11-13-16-24/h11-13,15-16,20-23,25H,2-10,14,17-19H2,1H3",C26H39N,,,,,,TVYBCUBLBGWIGV-UHFFFAOYSA-N,,,,,,,,,,,
100.076.454,284-130-5,84787-88-2,"Bis[1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)azo]-1H-1,2,4-triazolium] sulphate","bis{1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)diazenyl]-1H-1,2,4-triazol-4-ium} sulfate",O=[S](=O)([O-])[O-].C[N+]=1C=NN(C)C=1/N=N/C2=C(/NC=3C=CC=CC2=3)C4=CC=CC=C4.C[N+]=1C=NN(C)C=1/N=N/C2=C(/NC=3C=CC=CC2=3)C4=CC=CC=C4,O=[S](=O)([O-])[O-].C[N+]=1C=NN(C)C=1/N=N/C2=C(/NC=3C=CC=CC2=3)C4=CC=CC=C4.C[N+]=1C=NN(C)C=1/N=N/C2=C(/NC=3C=CC=CC2=3)C4=CC=CC=C4,"InChI=1/2C18H16N6.H2O4S/c2*1-23-12-19-24(2)18(23)22-21-17-14-10-6-7-11-15(14)20-16(17)13-8-4-3-5-9-13;1-5(2,3)4/h2*3-12H,1-2H3;(H2,1,2,3,4)",C18H17N6.1/2O4S,,,,,,VUAVPUTXQKFKMH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.455,284-131-0,84787-89-3,Diammonium 2-(dimethylamino)-4-nitrophenyl phosphate,diammonium 2-(dimethylamino)-4-nitrophenyl phosphate,[NH4+].[NH4+].CN(C)c1cc(ccc1OP(=O)([O-])[O-])[N+](=O)[O-],[NH4+].[NH4+].CN(C)c1cc(ccc1OP(=O)([O-])[O-])[N+](=O)[O-],"InChI=1/C8H11N2O6P.2H3N/c1-9(2)7-5-6(10(11)12)3-4-8(7)16-17(13,14)15;;/h3-5H,1-2H3,(H2,13,14,15);2*1H3",C8H11N2O6P.2H3N,,,,,,MNGGNMBYEOZJMH-UHFFFAOYSA-N,,,,,,,,,,,
100.076.464,284-141-5,84788-02-3,"2-[[(1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl]azo]-3-methylbenzothiazolium acetate","2-{[(1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)methyl]diazenyl}-3-methyl-1,3-benzothiazol-3-ium acetate",[O-]C(C)=O.CN\\4c1ccccc1N(C)C/4=C\\N=Nc3sc2ccccc2[n+]3C,[O-]C(C)=O.CN\4c1ccccc1N(C)C/4=C\N=Nc3sc2ccccc2[n+]3C,"InChI=1/C18H18N5S.C2H4O2/c1-21-13-8-4-5-9-14(13)22(2)17(21)12-19-20-18-23(3)15-10-6-7-11-16(15)24-18;1-2(3)4/h4-12H,1-3H3;1H3,(H,3,4)/q+1;/p-1",C18H18N5S.C2H3O2,,,,,,OWCGXKHEAXZCBC-UHFFFAOYSA-M,,,,,,,,,,,
100.069.050,275-978-7,71750-46-4,Dichloro(methylthio)phenol,"2,3-dichloro-4-(methylsulfanyl)phenol",CSc1ccc(O)c(Cl)c1Cl,CSc1ccc(O)c(Cl)c1Cl,"InChI=1/C7H6Cl2OS/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,1H3",C7H6Cl2OS,,,,,,FOJSPJUWKDLBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.051,275-979-2,71750-52-2,"(1,5-dimethylhexyl)ammonium sulphate",bis(6-methylheptan-2-aminium) sulfate,CC(C)CCCC(C)[NH3+].CC(C)CCCC(C)[NH3+].[O-]S(=O)(=O)[O-],CC(C)CCCC(C)[NH3+].CC(C)CCCC(C)[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2C8H19N.H2O4S/c2*1-7(2)5-4-6-8(3)9;1-5(2,3)4/h2*7-8H,4-6,9H2,1-3H3;(H2,1,2,3,4)",C8H19N.xH2O4S,,,,,,RAIRKOPIVOPWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.482,272-051-9,68658-40-2,"2,2'-thiobis(6-chloro-4-ethylphenol)","2,2'-sulfanediylbis(6-chloro-4-ethylphenol)",CCc1cc(Cl)c(O)c(Sc2cc(CC)cc(Cl)c2O)c1,CCc1cc(Cl)c(O)c(Sc2cc(CC)cc(Cl)c2O)c1,"InChI=1/C16H16Cl2O2S/c1-3-9-5-11(17)15(19)13(7-9)21-14-8-10(4-2)6-12(18)16(14)20/h5-8,19-20H,3-4H2,1-2H3",C16H16Cl2O2S,,,,,,DWORIKGYRYABBW-UHFFFAOYSA-N,,,,,,,,,,,
100.065.484,272-054-5,68671-90-9,"1,2,4,5-tetrachloro-3-(methylthio)benzene","1,2,4,5-tetrachloro-3-(methylsulfanyl)benzene",CSc1c(Cl)c(Cl)cc(Cl)c1Cl,CSc1c(Cl)c(Cl)cc(Cl)c1Cl,"InChI=1/C7H4Cl4S/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3",C7H4Cl4S,,,,,,RHWCBXIUVHNKQC-UHFFFAOYSA-N,,,,,,,,,,,
100.065.489,272-059-2,68678-89-7,Nonenone,non-3-en-2-one,CCCCCC=CC(C)=O,CCCCCC=CC(C)=O,"InChI=1/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3",C9H16O,,,,,,HDKLIZDXVUCLHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.498,272-069-7,68683-30-7,1-phenylethyl 2-chloroacetoacetate,1-phenylethyl 4-chloro-3-oxobutanoate,CC(OC(=O)CC(=O)CCl)c1ccccc1,CC(OC(=O)CC(=O)CCl)c1ccccc1,"InChI=1/C12H13ClO3/c1-9(10-5-3-2-4-6-10)16-12(15)7-11(14)8-13/h2-6,9H,7-8H2,1H3",C12H13ClO3,,,,,,GKMVBWPHSKGYHC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.451,275-319-3,71317-47-0,Sodium octacosyl sulphate,sodium octacosyl sulfate,[Na+].CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C28H58O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;/h2-28H2,1H3,(H,29,30,31);/q;+1/p-1",C28H58O4S.Na,,,,,,CGQPFDZORYUARU-UHFFFAOYSA-M,,,,,,,,,,,
100.068.453,275-321-4,71317-50-5,"Icosyl hydrogen sulphate, compound with 2,2',2''-nitrilotriethanol (1:1)","icosyl hydrogen sulfate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,"InChI=1/C20H42O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;8-4-1-7(2-5-9)3-6-10/h2-20H2,1H3,(H,21,22,23);8-10H,1-6H2",C20H42O4S.C6H15NO3,,,,,,FWGYGBCMCCXNRH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.457,275-326-1,71317-55-0,Ammonium octacosyl sulphate,ammonium octacosyl sulfate,[NH4+].CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C28H58O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;/h2-28H2,1H3,(H,29,30,31);1H3",C28H58O4S.H3N,,,,,,DLKHXEKCNNFQMI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.458,275-327-7,71317-57-2,Ammonium docosyl sulphate,ammonium docosyl sulfate,[NH4+].CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C22H46O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H,23,24,25);1H3",C22H46O4S.H3N,,,,,,UTTKDFKVRXMSDP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.466,275-336-6,71334-38-8,1-[(4-butylphenyl)amino]-4-hydroxyanthraquinone,"1-[(4-butylphenyl)amino]-4-hydroxy-9,10-anthraquinone",CCCCc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,CCCCc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C24H21NO3/c1-2-3-6-15-9-11-16(12-10-15)25-19-13-14-20(26)22-21(19)23(27)17-7-4-5-8-18(17)24(22)28/h4-5,7-14,25-26H,2-3,6H2,1H3",C24H21NO3,,,,,,ITLXCSMSIXIRBB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.467,275-337-1,71334-46-8,1-hydroxy-4-[[4-(nonyloxy)phenyl]amino]anthraquinone,"1-hydroxy-4-{[4-(nonyloxy)phenyl]amino}-9,10-anthraquinone",CCCCCCCCCOc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,CCCCCCCCCOc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C29H31NO4/c1-2-3-4-5-6-7-10-19-34-21-15-13-20(14-16-21)30-24-17-18-25(31)27-26(24)28(32)22-11-8-9-12-23(22)29(27)33/h8-9,11-18,30-31H,2-7,10,19H2,1H3",C29H31NO4,,,,,,LDBLFGUVYMSWJD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.468,275-338-7,71334-59-3,"1,5-bis[(4-ethylphenyl)amino]anthraquinone","1,5-bis[(4-ethylphenyl)amino]-9,10-anthraquinone",CCc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(CC)cc5)cccc4C(=O)c23)cc1,CCc1ccc(Nc2cccc3C(=O)c4c(Nc5ccc(CC)cc5)cccc4C(=O)c23)cc1,"InChI=1/C30H26N2O2/c1-3-19-11-15-21(16-12-19)31-25-9-5-7-23-27(25)29(33)24-8-6-10-26(28(24)30(23)34)32-22-17-13-20(4-2)14-18-22/h5-18,31-32H,3-4H2,1-2H3",C30H26N2O2,,,,,,DHIHFWLVDSRFDG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.482,275-353-9,71351-48-9,Ethyl 3-(6-methyl-3-pyridyl)propionate,ethyl 3-(6-methylpyridin-3-yl)propanoate,CCOC(=O)CCc1ccc(C)nc1,CCOC(=O)CCc1ccc(C)nc1,"InChI=1/C11H15NO2/c1-3-14-11(13)7-6-10-5-4-9(2)12-8-10/h4-5,8H,3,6-7H2,1-2H3",C11H15NO2,,,,,,ZABMIGDVOIATQB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.827,299-956-1,93918-75-3,Diammonium lutetium pentanitrate,diammonium lutetium pentanitrate,[NH4+].[NH4+].[Lu+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Lu+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Lu.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2,H3N.5/2HNO3.1/2Lu,,,,,,SJJZWUQHAFATKR-UHFFFAOYSA-P,,,,,,,,,,,
100.092.012,301-260-0,93982-70-8,"1-methyl-3-(2,6,6-trimethylcyclohex-2-enyl)allyl isobutyrate","1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-yl 2-methylpropanoate",CC(C)C(=O)OC(C)\\C=C\\C1C(=CCCC1(C)C)C,CC(C)C(=O)OC(C)\C=C\C1C(=CCCC1(C)C)C,"InChI=1/C17H28O2/c1-12(2)16(18)19-14(4)9-10-15-13(3)8-7-11-17(15,5)6/h8-10,12,14-15H,7,11H2,1-6H3",C17H28O2,,,,,,JRQIZSZWXIIECX-MDZDMXLPSA-N,,,,,,,,,,,
100.092.017,301-265-8,93982-77-5,"Oleic acid, compound with 1H-benzotriazole (1:1)",octadec-9-enoic acid - 1H-benzotriazole (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.c1ccc2[nH]nnc2c1,CCCCCCCC\C=C/CCCCCCCC(=O)O.c1ccc2[nH]nnc2c1,"InChI=1/C18H34O2.C6H5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5(3-1)7-9-8-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H,(H,7,8,9)",C18H34O2.C6H5N3,,,,,,FNPOUUYXQRTDRX-KVVVOXFISA-N,,,,,,,,,,,
100.092.029,301-278-9,93982-92-4,"3-(dodecenyl)dihydrofuran-2,5-dione, compound with 1H-benzotriazole (1:1)","3-dodec-1-en-1-yldihydrofuran-2,5-dione - 1H-benzotriazole (1:1)",O=C1OC(=O)CC1C=CCCCCCCCCCC.c1cccc2nnnc12,O=C1OC(=O)CC1C=CCCCCCCCCCC.c1cccc2nnnc12,"InChI=1/C16H26O3.C6H5N3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18;1-2-4-6-5(3-1)7-9-8-6/h11-12,14H,2-10,13H2,1H3;1-4H,(H,7,8,9)",C16H26O3.C6H5N3,,,,,,PUISDEOUDPMPQD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.034,301-284-1,93982-97-9,Phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]-carbamate,phenyl methyl[3-(2-methylphenoxy)-3-phenylpropyl]carbamate,CN(CCC(Oc1ccccc1C)c2ccccc2)C(=O)Oc3ccccc3,CN(CCC(Oc1ccccc1C)c2ccccc2)C(=O)Oc3ccccc3,"InChI=1/C24H25NO3/c1-19-11-9-10-16-22(19)28-23(20-12-5-3-6-13-20)17-18-25(2)24(26)27-21-14-7-4-8-15-21/h3-16,23H,17-18H2,1-2H3",C24H25NO3,,,,,,XQRWVVSMZKGEBO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.046,301-297-2,93983-09-6,"Octapotassium [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","octapotassium {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.8K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8",C6H20N2O12P4.8K,,,,,,FDKSVCVUJQLTGV-UHFFFAOYSA-F,,,,,,,,,,,
100.092.989,302-335-0,94107-98-9,"1,4,5,8-tetrakis(4-aminocyclohexyl)anthraquinone","1,4,5,8-tetrakis(4-aminocyclohexyl)-9,10-anthraquinone",NC1CCC(CC1)c2ccc(C3CCC(N)CC3)c4C(=O)c5c(ccc(C6CCC(N)CC6)c5C(=O)c24)C7CCC(N)CC7,NC1CCC(CC1)c2ccc(C3CCC(N)CC3)c4C(=O)c5c(ccc(C6CCC(N)CC6)c5C(=O)c24)C7CCC(N)CC7,"InChI=1/C38H52N4O2/c39-25-9-1-21(2-10-25)29-17-18-30(22-3-11-26(40)12-4-22)34-33(29)37(43)35-31(23-5-13-27(41)14-6-23)19-20-32(36(35)38(34)44)24-7-15-28(42)16-8-24/h17-28H,1-16,39-42H2",C38H52N4O2,,,,,,VQIKXPKVWOCUFF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.990,302-336-6,94107-99-0,"N,N,N',N'-tetrabutylpropane-1,3-diamine","N,N,N',N'-tetrabutylpropane-1,3-diamine",CCCCN(CCCC)CCCN(CCCC)CCCC,CCCCN(CCCC)CCCN(CCCC)CCCC,"InChI=1/C19H42N2/c1-5-9-14-20(15-10-6-2)18-13-19-21(16-11-7-3)17-12-8-4/h5-19H2,1-4H3",C19H42N2,,,,,,GFQVCRLEDYPCAB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.995,302-341-3,94108-04-0,"D-glucuronic acid, compound with 2,2'-iminobis[ethanol] (1:1)","2,2'-iminodiethanol - D-glucuronic acid (1:1)",OCCNCCO.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O,OCCNCCO.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O,"InChI=1/C6H10O7.C4H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;6-3-1-5-2-4-7/h1-5,8-11H,(H,12,13);5-7H,1-4H2",C6H10O7.C4H11NO2,,,,,,XQUKNPFXQIBKCF-JSCKKFHOSA-N,,,,,,,,,,,
100.092.999,302-346-0,94108-08-4,"2-(2,4,4-trimethylpentyl)-1,3-dioxolane","2-(2,4,4-trimethylpentyl)-1,3-dioxolane",CC(CC1OCCO1)CC(C)(C)C,CC(CC1OCCO1)CC(C)(C)C,"InChI=1/C11H22O2/c1-9(8-11(2,3)4)7-10-12-5-6-13-10/h9-10H,5-8H2,1-4H3",C11H22O2,,,,,,AUTULYGUYGPRMN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.152,299-214-7,93857-80-8,5-[1-ethoxy-2-[3-ethyl-5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"[5-(1-ethoxy-2-{3-ethyl-5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}ethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",CCN3CCSC3=CC=C2SC(=CC(OCC)=C1SC(=S)N(CC(O)=O)C1=O)N(CC)C2=O,CCN3CCSC3=CC=C2SC(=CC(OCC)=C1SC(=S)N(CC(O)=O)C1=O)N(CC)C2=O,"InChI=1/C21H25N3O5S4/c1-4-22-9-10-31-15(22)8-7-14-19(27)23(5-2)16(32-14)11-13(29-6-3)18-20(28)24(12-17(25)26)21(30)33-18/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,25,26)",C21H25N3O5S4,,,,,,OTOGCONQRAYBMC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.162,299-225-7,93857-91-1,3-cyclohexylpropyl valerate,3-cyclohexylpropyl valerate,CCCCC(=O)OCCCC1CCCCC1,CCCCC(=O)OCCCC1CCCCC1,"InChI=1/C14H26O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h13H,2-12H2,1H3",C14H26O2,,,,,,ZUSLCRLGEUGVDK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.650,273-337-6,68957-40-4,"Disodium N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-ß-alaninate","disodium 3-[{4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]phenyl}(5-chloro-2,6-difluoropyrimidin-4-yl)amino]propanoate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(cc4)N(CCC(=O)[O-])c5nc(F)nc(F)c5Cl)cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(cc4)N(CCC(=O)[O-])c5nc(F)nc(F)c5Cl)cc1S(=O)(=O)[O-],"InChI=1/C27H18ClF2N5O7S.2Na/c28-21-25(29)33-27(30)34-26(21)35(10-9-18(36)37)13-7-5-12(6-8-13)32-16-11-17(43(40,41)42)22(31)20-19(16)23(38)14-3-1-2-4-15(14)24(20)39;;/h1-8,11,32H,9-10,31H2,(H,36,37)(H,40,41,42);;/q;2*+1/p-2",C27H18ClF2N5O7S.2Na,,,,,,IBGZZMMADFIRMG-UHFFFAOYSA-L,,,,,,,,,,,
100.066.663,273-351-2,68957-59-5,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide monohydrochloride","N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide hydrochloride",Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H13F9N2O2S.ClH/c1-20(2)5-3-4-19-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16;/h19H,3-5H2,1-2H3;1H",C9H13F9N2O2S.ClH,,,,,,DQXUCRIDVIRDMO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.128,273-862-0,69093-18-1,"1-amino-4,8-dihydroxy-5-[(1-methylethyl)amino]anthraquinone","1-amino-4,8-dihydroxy-5-(isopropylamino)-9,10-anthraquinone",CC(C)Nc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,CC(C)Nc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,"InChI=1/C17H16N2O4/c1-7(2)19-9-4-6-11(21)15-13(9)17(23)14-10(20)5-3-8(18)12(14)16(15)22/h3-7,19-21H,18H2,1-2H3",C17H16N2O4,,,,,,DAHSRRGMYJJGTF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.139,273-874-6,69112-21-6,(E)-hex-3-enal,hex-3-enal,CC\\C=C\\CC=O,CC\C=C\CC=O,"InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3",C6H10O,,,,,,GXANMBISFKBPEX-ONEGZZNKSA-N,,,,,,,,,,,
100.068.540,275-418-1,71412-10-7,N-(aminomethoxymethylphenyl)benzamide,N-{2-[amino(methoxy)methyl]phenyl}benzamide,COC(N)c1ccccc1NC(=O)c2ccccc2,COC(N)c1ccccc1NC(=O)c2ccccc2,"InChI=1/C15H16N2O2/c1-19-14(16)12-9-5-6-10-13(12)17-15(18)11-7-3-2-4-8-11/h2-10,14H,16H2,1H3,(H,17,18)",C15H16N2O2,,,,,,UFTCHYBODVRXGY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.541,275-419-7,71412-11-8,1-aminotetradecanone,1-aminotetradecan-2-one,CCCCCCCCCCCCC(=O)CN,CCCCCCCCCCCCC(=O)CN,"InChI=1/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h2-13,15H2,1H3",C14H29NO,,,,,,JPDCAAMJJHFYPK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.547,275-426-5,71412-20-9,"7-(3-bromo-2-oxopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","7-(3-bromo-2-oxopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",CN1C(=O)N(C)c2ncn(CC(=O)CBr)c2C1=O,CN1C(=O)N(C)c2ncn(CC(=O)CBr)c2C1=O,"InChI=1/C10H11BrN4O3/c1-13-8-7(9(17)14(2)10(13)18)15(5-12-8)4-6(16)3-11/h5H,3-4H2,1-2H3",C10H11BrN4O3,,,,,,CKGMJGVOFVQVCF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.560,275-440-1,71427-58-2,Dodecyl (3-isocyanato-4-methylphenyl)-carbamate,dodecyl (3-isocyanato-4-methylphenyl)carbamate,CCCCCCCCCCCCOC(=O)Nc1ccc(C)c(c1)N=C=O,CCCCCCCCCCCCOC(=O)Nc1ccc(C)c(c1)N=C=O,"InChI=1/C21H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-15-26-21(25)23-19-14-13-18(2)20(16-19)22-17-24/h13-14,16H,3-12,15H2,1-2H3,(H,23,25)",C21H32N2O3,,,,,,HBPPVBFDVNBDMA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.567,275-448-5,71436-88-9,N-butyl-o-toluenesulphonamide,N-butyl-2-methylbenzenesulfonamide,CCCCNS(=O)(=O)c1ccccc1C,CCCCNS(=O)(=O)c1ccccc1C,"InChI=1/C11H17NO2S/c1-3-4-9-12-15(13,14)11-8-6-5-7-10(11)2/h5-8,12H,3-4,9H2,1-2H3",C11H17NO2S,,,,,,ZBHYNHDKSANFJN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.568,275-449-0,71436-89-0,Butyltris(2-hydroxyethyl)ammonium hydroxide,"N,N,N-tris(2-hydroxyethyl)butan-1-aminium hydroxide",[OH-].CCCC[N+](CCO)(CCO)CCO,[OH-].CCCC[N+](CCO)(CCO)CCO,"InChI=1/C10H24NO3.H2O/c1-2-3-4-11(5-8-12,6-9-13)7-10-14;/h12-14H,2-10H2,1H3;1H2/q+1;/p-1",C10H24NO3.HO,,,,,,FHGWDFWXNIEBIE-UHFFFAOYSA-M,,,,,,,,,,,
100.068.574,275-455-3,71436-96-9,"Isobutyl 3,5,5-trimethylhexanoate","isobutyl 3,5,5-trimethylhexanoate",CC(C)COC(=O)CC(C)CC(C)(C)C,CC(C)COC(=O)CC(C)CC(C)(C)C,"InChI=1/C13H26O2/c1-10(2)9-15-12(14)7-11(3)8-13(4,5)6/h10-11H,7-9H2,1-6H3",C13H26O2,,,,,,FZZAUWKVCPGABZ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.815,270-218-0,68413-46-7,Potassium 16-methylheptadecanoate,potassium 16-methylheptadecanoate,[K+].CC(C)CCCCCCCCCCCCCCC(=O)[O-],[K+].CC(C)CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.K/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;/h17H,3-16H2,1-2H3,(H,19,20);/q;+1/p-1",C18H36O2.K,,,,,,NGNZTXNWCGRXKL-UHFFFAOYSA-M,,,,,,,,,,,
100.076.468,284-145-7,84788-06-7,3-[3-(dodecyloxy)-2-hydroxypropoxy]propanol,3-[3-(dodecyloxy)-2-hydroxypropoxy]propan-1-ol,CCCCCCCCCCCCOCC(O)COCCCO,CCCCCCCCCCCCOCC(O)COCCCO,"InChI=1/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-16-18(20)17-22-15-12-13-19/h18-20H,2-17H2,1H3",C18H38O4,,,,,,BDPHCHLBRFZWBU-UHFFFAOYSA-N,,,,,,,,,,,
100.076.470,284-147-8,84788-08-9,"Propyl 2,4-decadienoate","propyl deca-2,4-dienoate",CCCOC(=O)C=CC=CCCCCC,CCCOC(=O)C=CC=CCCCCC,"InChI=1/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3",C13H22O2,,,,,,RKDOXCGYGLYOBV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.727,283-327-3,84604-47-7,"2-methyl-1-(3,5,5-trimethyl-2-cyclohexen-1-yl)propan-1-one","2-methyl-1-(3,5,5-trimethylcyclohex-2-en-1-yl)propan-1-one",CC(C)C(=O)C1CC(C)(C)CC(=C1)C,CC(C)C(=O)C1CC(C)(C)CC(=C1)C,"InChI=1/C13H22O/c1-9(2)12(14)11-6-10(3)7-13(4,5)8-11/h6,9,11H,7-8H2,1-5H3",C13H22O,,,,,,WIAFBAKTXDPMOT-UHFFFAOYSA-N,,,,,,,,,,,
100.075.728,283-328-9,84604-48-8,Methyl 2-butyl-4-methyl-3-oxocyclopentaneacetate,methyl (2-butyl-4-methyl-3-oxocyclopentyl)acetate,CCCCC1C(CC(=O)OC)CC(C)C1=O,CCCCC1C(CC(=O)OC)CC(C)C1=O,"InChI=1/C13H22O3/c1-4-5-6-11-10(8-12(14)16-3)7-9(2)13(11)15/h9-11H,4-8H2,1-3H3",C13H22O3,,,,,,MSBRSFQZKZOPDR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.730,283-331-5,84604-50-2,3-pentylcyclopentyl propionate,3-pentylcyclopentyl propionate,CCCCCC1CCC(C1)OC(=O)CC,CCCCCC1CCC(C1)OC(=O)CC,"InChI=1/C13H24O2/c1-3-5-6-7-11-8-9-12(10-11)15-13(14)4-2/h11-12H,3-10H2,1-2H3",C13H24O2,,,,,,BWSWHVCPJCKMRH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.734,283-335-7,84604-54-6,a-butyl-2-hydroxycyclopentanemethanol,2-(1-hydroxypentyl)cyclopentanol,CCCCC(O)C1CCCC1O,CCCCC(O)C1CCCC1O,"InChI=1/C10H20O2/c1-2-3-6-9(11)8-5-4-7-10(8)12/h8-12H,2-7H2,1H3",C10H20O2,,,,,,JTZFISXWDUSGDL-UHFFFAOYSA-N,,,,,,,,,,,
100.075.736,283-337-8,84604-56-8,"1-(3,5,5-trimethyl-2-cyclohexen-1-yl)ethan-1-one","1-(3,5,5-trimethylcyclohex-2-en-1-yl)ethanone",CC(=O)C1CC(C)(C)CC(=C1)C,CC(=O)C1CC(C)(C)CC(=C1)C,"InChI=1/C11H18O/c1-8-5-10(9(2)12)7-11(3,4)6-8/h5,10H,6-7H2,1-4H3",C11H18O,,,,,,GPZVVSBVNYRWOV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.743,283-345-1,84604-63-7,"1-(3,5,5-trimethyl-2-cyclohexen-1-yl)propan-1-one","1-(3,5,5-trimethylcyclohex-2-en-1-yl)propan-1-one",CCC(=O)C1CC(C)(C)CC(=C1)C,CCC(=O)C1CC(C)(C)CC(=C1)C,"InChI=1/C12H20O/c1-5-11(13)10-6-9(2)7-12(3,4)8-10/h6,10H,5,7-8H2,1-4H3",C12H20O,,,,,,KCVALAPENKEXQL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.003,284-734-9,84962-37-8,"5-oxo-L-proline, compound with p-toluidine (1:1)",5-oxo-L-proline - 4-methylaniline (1:1),Cc1ccc(N)cc1.OC(=O)[C@@H]2CCC(=O)N2,Cc1ccc(N)cc1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C7H9N.C5H7NO3/c1-6-2-4-7(8)5-3-6;7-4-2-1-3(6-4)5(8)9/h2-5H,8H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C7H9N.C5H7NO3,,,,,,AKRKJVTVADDUIX-HVDRVSQOSA-N,,,,,,,,,,,
100.077.006,284-738-0,84962-41-4,(2-hydroxyethyl)trimethylammonium 5-oxo-DL-prolinate,"2-hydroxy-N,N,N-trimethylethanaminium 5-oxopyrrolidine-2-carboxylate",C[N+](C)(C)CCO.[O-]C(=O)[C@@H]1CCC(=O)N1,C[N+](C)(C)CCO.[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C5H14NO/c7-4-2-1-3(6-4)5(8)9;1-6(2,3)4-5-7/h3H,1-2H2,(H,6,7)(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1",C5H14NO.C5H6NO3,,,,,,BYGUCEMASSQNBH-DFWYDOINSA-M,,,,,,,,,,,
100.077.007,284-739-6,84962-42-5,Tin tetrakis(5-oxo-DL-prolinate),tin(4+) tetrakis(5-oxopyrrolidine-2-carboxylate),[Sn+4].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2.[O-]C(=O)[C@@H]3CCC(=O)N3.[O-]C(=O)[C@@H]4CCC(=O)N4,[Sn+4].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2.[O-]C(=O)[C@@H]3CCC(=O)N3.[O-]C(=O)[C@@H]4CCC(=O)N4,"InChI=1/4C5H7NO3.Sn/c4*7-4-2-1-3(6-4)5(8)9;/h4*3H,1-2H2,(H,6,7)(H,8,9);/q;;;;+4/p-4",C5H7NO3.1/4Sn,,,,,,IQCMNTVCGMNTLL-GWJKCLFXSA-J,,,,,,,,,,,
100.077.010,284-742-2,84962-45-8,"(5a)-4,5-epoxy-14-hydroxy-3-methoxy-17-(2-propynyl)morphinan-6-one","14-hydroxy-3-methoxy-17-prop-2-yn-1-yl-4,5-epoxymorphinan-6-one",COc1ccc2C[C@H]3N(CC#C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,COc1ccc2C[C@H]3N(CC#C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C20H21NO4/c1-3-9-21-10-8-19-16-12-4-5-14(24-2)17(16)25-18(19)13(22)6-7-20(19,23)15(21)11-12/h1,4-5,15,18,23H,6-11H2,2H3",C20H21NO4,,,,,,CJIBNJHPNWBQCT-XFWGSAIBSA-N,,,,,,,,,,,
100.071.944,279-163-7,79458-55-2,"Tetrahydro-4-hydroxy-1-(hydroxymethyl)-5,5-dimethyl-1H-pyrimidin-2-one","4-hydroxy-1-(hydroxymethyl)-5,5-dimethyltetrahydropyrimidin-2(1H)-one",CC1(C)CN(CO)C(=O)NC1O,CC1(C)CN(CO)C(=O)NC1O,"InChI=1/C7H14N2O3/c1-7(2)3-9(4-10)6(12)8-5(7)11/h5,10-11H,3-4H2,1-2H3,(H,8,12)",C7H14N2O3,,,,,,KBGWVLKNXPVIGT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.946,279-165-8,79473-12-4,"3-(4-isopropyl-m-tolyl)-1,1-dimethylurea","3-(4-isopropyl-3-methylphenyl)-1,1-dimethylurea",CC(C)c1ccc(NC(=O)N(C)C)cc1C,CC(C)c1ccc(NC(=O)N(C)C)cc1C,"InChI=1/C13H20N2O/c1-9(2)12-7-6-11(8-10(12)3)14-13(16)15(4)5/h6-9H,1-5H3,(H,14,16)",C13H20N2O,,,,,,BNRXAOCOHIHDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.948,279-167-9,79495-74-2,"1-methylpropane-1,3-diyl bislactate","butane-1,3-diyl bis(2-hydroxypropanoate)",CC(CCOC(=O)C(C)O)OC(=O)C(C)O,CC(CCOC(=O)C(C)O)OC(=O)C(C)O,"InChI=1/C10H18O6/c1-6(16-10(14)8(3)12)4-5-15-9(13)7(2)11/h6-8,11-12H,4-5H2,1-3H3",C10H18O6,,,,,,DTDLSUQWGODPJV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.484,275-356-5,71360-31-1,"2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole","2,5-bis(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole",COc1ccc(cc1OC)c2nc([nH]c2c3ccccc3Cl)c4ccccc4Cl,COc1ccc(cc1OC)c2nc([nH]c2c3ccccc3Cl)c4ccccc4Cl,"InChI=1/C23H18Cl2N2O2/c1-28-19-12-11-14(13-20(19)29-2)21-22(15-7-3-5-9-17(15)24)27-23(26-21)16-8-4-6-10-18(16)25/h3-13H,1-2H3,(H,26,27)",C23H18Cl2N2O2,,,,,,JEIHVVWXQSLCQF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.487,275-359-1,71371-62-5,"2-tert-butyl-4,6-dinitrophenol, compound with dimethylamine (1:1)","2-tert-butyl-4,6-dinitrophenol - N-methylmethanamine (1:1)",CNC.CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],CNC.CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5.C2H7N/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17;1-3-2/h4-5,13H,1-3H3;3H,1-2H3",C10H12N2O5.C2H7N,,,,,,FYRIBCONTRFHBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.488,275-360-7,71383-07-8,"3,7-dimethyloctyl 3-methyl-2-butenoate","3,7-dimethyloctyl 3-methylbut-2-enoate",CC(C)CCCC(C)CCOC(=O)C=C(C)C,CC(C)CCCC(C)CCOC(=O)C=C(C)C,"InChI=1/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h11-12,14H,6-10H2,1-5H3",C15H28O2,,,,,,FMHDHJRLIKZTQX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.062,275-991-8,71762-36-2,[(dimethylphosphinoyl)methyl]phosphonic acid,[(dimethylphosphoryl)methyl]phosphonic acid,CP(=O)(C)CP(=O)(O)O,CP(=O)(C)CP(=O)(O)O,"InChI=1/C3H10O4P2/c1-8(2,4)3-9(5,6)7/h3H2,1-2H3,(H2,5,6,7)",C3H10O4P2,,,,,,OPQAGLVVRDQXPB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.072,276-002-2,71786-27-1,"Disodium 7,7'-iminobis(4-hydroxynaphthalene-2-sulphonate)","disodium 7,7'-iminobis(4-hydroxynaphthalene-2-sulfonate)",[Na+].[Na+].Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-],"InChI=1/C20H15NO8S2.2Na/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29;;/h1-10,21-23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H15NO8S2.2Na,,,,,,XJJRCZPKWJZDGQ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.086,276-017-4,71786-67-9,Benzyl(3-hydroxyphenacyl)methylammonium chloride,N-benzyl-2-(3-hydroxyphenyl)-N-methyl-2-oxoethanaminium chloride,[Cl-].C[NH+](CC(=O)c1cccc(O)c1)Cc2ccccc2,[Cl-].C[NH+](CC(=O)c1cccc(O)c1)Cc2ccccc2,"InChI=1/C16H17NO2.ClH/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14;/h2-10,18H,11-12H2,1H3;1H",C16H17NO2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5594,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.086,QGHUDAOMXLLADV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.088,276-020-0,71794-31-5,"4,11-diamino-2-[3-(2-phenoxyethoxy)propyl)-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone","4,11-diamino-2-[3-(2-phenoxyethoxy)propyl]-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",Nc1c2C(=O)N(CCCOCCOc3ccccc3)C(=O)c2c(N)c4C(=O)c5ccccc5C(=O)c14,Nc1c2C(=O)N(CCCOCCOc3ccccc3)C(=O)c2c(N)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C27H23N3O6/c28-22-18-19(25(32)17-10-5-4-9-16(17)24(18)31)23(29)21-20(22)26(33)30(27(21)34)11-6-12-35-13-14-36-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,28-29H2",C27H23N3O6,,,,,,JRSHBBFKDLXHGI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.746,270-142-8,68411-72-3,"Ethane, chloro derivs.",chloroethane,CCCl,CCCl,"InChI=1/C2H5Cl/c1-2-3/h2H2,1H3",-,,,,,,HRYZWHHZPQKTII-UHFFFAOYSA-N,,,,,,,,,,,
100.068.496,275-369-6,71411-65-9,Aniline phosphate,aniline phosphate,OP(O)(O)=O.Nc1ccccc1,OP(O)(O)=O.Nc1ccccc1,"InChI=1/C6H7N.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H3,1,2,3,4)",C6H7N.xH3O4P,,,,,,JAZCSWFKVAHBLR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.507,269-879-8,68375-84-8,Potassium ethyl fumarate,potassium 4-ethoxy-4-oxobut-2-enoate,[K+].CCOC(=O)\\C=C\\C(=O)[O-],[K+].CCOC(=O)\C=C\C(=O)[O-],"InChI=1/C6H8O4.K/c1-2-10-6(9)4-3-5(7)8;/h3-4H,2H2,1H3,(H,7,8);/q;+1/p-1",C6H8O4.K,,,,,,DFPKHSVUGIJIRK-BJILWQEISA-M,,,,,,,,,,,
100.063.524,269-898-1,68389-63-9,"Ethanol, 2-butoxy-, phosphate, potassium salt",-,[K+].CCCCOCCOP(=O)([O-])[O-],[K+].CCCCOCCOP(=O)([O-])[O-],"InChI=1/C6H15O5P.K/c1-2-3-4-10-5-6-11-12(7,8)9;/h2-6H2,1H3,(H2,7,8,9);/q;+1/p-2",-,,,,,,IODDGJXPSUEKBV-UHFFFAOYSA-L,,,,,,,,,,,
100.069.110,276-044-1,71820-51-4,"3-methyl-5-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]cyclohexan-1-ol","3-methyl-5-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclohexanol",CC1CC(O)CC(CC2CC=C(C)C2(C)C)C1,CC1CC(O)CC(CC2CC=C(C)C2(C)C)C1,"InChI=1/C16H28O/c1-11-7-13(10-15(17)8-11)9-14-6-5-12(2)16(14,3)4/h5,11,13-15,17H,6-10H2,1-4H3",C16H28O,,,,,,QIKFHKJUSSWJJF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.121,276-056-7,71832-83-2,Magnesium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate,magnesium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate,[Mg+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,[Mg+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Mg/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2",C18H13ClN2O6S.Mg,,,,,,LRWZOMLPQCOBKP-UHFFFAOYSA-L,,,,,,,,,,,
100.090.168,299-232-5,93857-97-7,Triacontyl methacrylate,triacontyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C34H66O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-34(35)33(2)3/h2,4-32H2,1,3H3",C34H66O2,,,,,,GHPRLFYOUPKDQR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.169,299-233-0,93857-98-8,Hentriacontyl methacrylate,hentriacontyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C35H68O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-37-35(36)34(2)3/h2,4-33H2,1,3H3",C35H68O2,,,,,,PPSTTZGMGSDVKO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.170,299-234-6,93857-99-9,Dotriacontyl methacrylate,dotriacontyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C36H70O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-36(37)35(2)3/h2,4-34H2,1,3H3",C36H70O2,,,,,,SHQYAJAWSIGGSP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.175,299-239-3,93858-04-9,2-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]phenyl]ethylamino]ethanol,2-[(4-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}phenyl)(ethyl)amino]ethanol,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCO)S(C)(=O)=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCO)S(C)(=O)=O,"InChI=1/C17H20ClN3O3S/c1-3-21(10-11-22)14-6-4-13(5-7-14)19-20-17-9-8-15(12-16(17)18)25(2,23)24/h4-9,12,22H,3,10-11H2,1-2H3",C17H20ClN3O3S,,,,,,UPYIXQFXIPOBKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.053,301-304-9,93983-16-5,"2,2'-[methylenebis(oxymethylene)]bis[2-ethylpropane-1,3-diol]","2,2'-[methylenebis(oxymethylene)]bis(2-ethylpropane-1,3-diol)",CCC(CO)(CO)COCOCC(CC)(CO)CO,CCC(CO)(CO)COCOCC(CC)(CO)CO,"InChI=1/C13H28O6/c1-3-12(5-14,6-15)9-18-11-19-10-13(4-2,7-16)8-17/h14-17H,3-11H2,1-2H3",C13H28O6,,,,,,RUGYGRQBRINGQW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.054,301-305-4,93983-17-6,"2,2'-[[2-ethyl-2-(hydroxymethyl)propane-1,3-diyl]bis(oxymethylene)]bis[2-ethylpropane-1,3-diol]","2-{[2-{[2,2-bis(hydroxymethyl)butoxy]methyl}-2-(hydroxymethyl)butoxy]methyl}-2-ethylpropane-1,3-diol (non-preferred name)",CCC(CO)(CO)COCC(CC)(CO)COCC(CC)(CO)CO,CCC(CO)(CO)COCC(CC)(CO)COCC(CC)(CO)CO,"InChI=1/C18H38O7/c1-4-16(7-19,8-20)12-24-14-18(6-3,11-23)15-25-13-17(5-2,9-21)10-22/h19-23H,4-15H2,1-3H3",C18H38O7,,,,,,AJXQSAYQHHODGY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.056,301-308-0,93983-19-8,"2-ethyl-2-[[[2-(hydroxymethyl)butoxy]methoxy]methyl]propane-1,3-diol","2-ethyl-2-({[2-(hydroxymethyl)butoxy]methoxy}methyl)propane-1,3-diol",CCC(CO)COCOCC(CC)(CO)CO,CCC(CO)COCOCC(CC)(CO)CO,"InChI=1/C12H26O5/c1-3-11(5-13)6-16-10-17-9-12(4-2,7-14)8-15/h11,13-15H,3-10H2,1-2H3",C12H26O5,,,,,,YGMXBWACXMHPQU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.059,301-311-7,93983-22-3,"2-[[2-[[[2,2-bis(hydroxymethyl)butoxy]methoxy]methyl]-2-(hydroxymethyl)butoxy]methyl]-2-ethylpropane-1,3-diol","2-{[2-({[2,2-bis(hydroxymethyl)butoxy]methoxy}methyl)-2-(hydroxymethyl)butoxy]methyl}-2-ethylpropane-1,3-diol",CCC(CO)(CO)COCOCC(CC)(CO)COCC(CC)(CO)CO,CCC(CO)(CO)COCOCC(CC)(CO)COCC(CC)(CO)CO,"InChI=1/C19H40O8/c1-4-17(7-20,8-21)12-25-14-19(6-3,11-24)15-27-16-26-13-18(5-2,9-22)10-23/h20-24H,4-16H2,1-3H3",C19H40O8,,,,,,JYTAOLSNJPFUNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.060,301-312-2,93983-23-4,"Pentasodium 3-[[4-[[4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-dimethylphenyl]azo]-2,5-disulphonatophenyl]azo]-4-hydroxy-5-(phenylamino)naphthalene-2,7-disulphonate","pentasodium 5-anilino-3-[(4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2,5-dimethylphenyl]diazenyl}-2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(cc(Nc1ccccc1)c2c(O)c7N=Nc3cc(c(cc3S([O-])(=O)=O)N=Nc4cc(C)c(cc4C)Nc6nc(Nc5cccc(c5)S([O-])(=O)=O)nc(Cl)n6)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(cc(Nc1ccccc1)c2c(O)c7N=Nc3cc(c(cc3S([O-])(=O)=O)N=Nc4cc(C)c(cc4C)Nc6nc(Nc5cccc(c5)S([O-])(=O)=O)nc(Cl)n6)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C39H31ClN10O16S5.5Na/c1-19-12-27(20(2)11-26(19)43-39-45-37(40)44-38(46-39)42-23-9-6-10-24(15-23)67(52,53)54)47-48-28-17-32(70(61,62)63)29(18-31(28)69(58,59)60)49-50-35-33(71(64,65)66)14-21-13-25(68(55,56)57)16-30(34(21)36(35)51)41-22-7-4-3-5-8-22;;;;;/h3-18,41,51H,1-2H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,42,43,44,45,46);;;;;/q;5*+1/p-5",C39H31ClN10O16S5.5Na,,,,,,WXWWFFKUYGVUIQ-UHFFFAOYSA-I,,,,,,,,,,,
100.092.065,301-318-5,93983-63-2,Methyl 2-[[(4-methoxyphenyl)methylene]amino]benzoate,methyl 2-[(4-methoxybenzylidene)amino]benzoate,COc2ccc(C=Nc1ccccc1C(=O)OC)cc2,COc2ccc(C=Nc1ccccc1C(=O)OC)cc2,"InChI=1/C16H15NO3/c1-19-13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16(18)20-2/h3-11H,1-2H3",C16H15NO3,,,,,,VYSXJKIBCGUXTM-UHFFFAOYSA-N,,,,,,,,,,,
100.088.991,297-936-7,93776-10-4,"33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,42,42,42-icosafluoro-41-(trifluoromethyl)-2,5,8,11,14,17,20,23,26,29-decaoxodotetracontan-31-ol","33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,42,42,42-icosafluoro-31-hydroxy-41-(trifluoromethyl)dotetracontane-2,5,8,11,14,17,20,23,26,29-decone",CC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C43H45F23O11/c1-22(67)2-3-23(68)4-5-24(69)6-7-25(70)8-9-26(71)10-11-27(72)12-13-28(73)14-15-29(74)16-17-30(75)18-19-31(76)20-32(77)21-33(44,45)35(47,48)37(51,52)39(55,56)41(59,60)40(57,58)38(53,54)36(49,50)34(46,42(61,62)63)43(64,65)66/h32,77H,2-21H2,1H3",C33H45F23O11,,,,,,NFDIWGSYOGEYNO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.822,270-225-9,68413-53-6,"1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(2-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-4-methyl-6-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)c(c1)S(=O)(=O)O,Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)c(c1)S(=O)(=O)O,"InChI=1/C26H18ClF2N5O8S2/c1-10-6-11(9-31-25-19(27)24(28)33-26(29)34-25)21(16(7-10)44(40,41)42)32-14-8-15(43(37,38)39)20(30)18-17(14)22(35)12-4-2-3-5-13(12)23(18)36/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42)",C26H18ClF2N5O8S2,,,,,,JMKBMSGQZSPJOC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.823,270-226-4,68413-55-8,"Sodium 4-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]benzenesulphonate","sodium 4-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]benzenesulfonate",[Na+].CC(C)Oc1nc(Cl)nc(Nc2ccc(cc2)S(=O)(=O)[O-])n1,[Na+].CC(C)Oc1nc(Cl)nc(Nc2ccc(cc2)S(=O)(=O)[O-])n1,"InChI=1/C12H13ClN4O4S.Na/c1-7(2)21-12-16-10(13)15-11(17-12)14-8-3-5-9(6-4-8)22(18,19)20;/h3-7H,1-2H3,(H,18,19,20)(H,14,15,16,17);/q;+1/p-1",C12H13ClN4O4S.Na,,,,,,PCFGYUGKFQKSFT-UHFFFAOYSA-M,,,,,,,,,,,
100.063.825,270-229-0,68413-57-0,Platinum(2+) hexasodium tetrasulphite,platinum(2+) hexasodium tetrasulphite,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Pt+2].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Pt+2].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/6Na.4H2O3S.Pt/c;;;;;;4*1-4(2)3;/h;;;;;;4*(H2,1,2,3);/q6*+1;;;;;+2/p-8",H2O3S.3/2Na.1/4Pt,,,,,,ORELZGBSMPSICH-UHFFFAOYSA-F,,,,,,,,,,,
100.063.834,270-239-5,68413-66-1,Triammonium hexachloroosmate(3-),triammonium hexachloroosmate(3-),[NH4+].[NH4+].[NH4+].Cl[Os-3](Cl)(Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].[NH4+].Cl[Os-3](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.3H3N.Os/h6*1H;3*1H3;/q;;;;;;;;;+6/p-3/rCl6Os.3H3N/c1-7(2,3,4,5)6;;;/h;3*1H3/p+3",Cl6Os.3H4N,,,,,,BIUXMSQWGUMZFI-UHFFFAOYSA-K,,,,,,,,,,,
100.066.665,273-353-3,68957-61-9,N-[3-(dimethylamino)propyl]tridecafluorohexanesulphonamide monohydrochloride,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide hydrochloride",Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H13F13N2O2S.ClH/c1-26(2)5-3-4-25-29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22;/h25H,3-5H2,1-2H3;1H",C11H13F13N2O2S.ClH,,,,,,FOFYISWSOGYVOH-UHFFFAOYSA-N,,,,,,,,,,,
100.066.670,273-359-6,68957-67-5,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]acetamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C19H21ClN6O7/c1-4-21-16-9-14(22-11(2)27)15(10-18(16)33-6-5-32-3)23-24-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10,21H,4-6H2,1-3H3,(H,22,27)",C19H21ClN6O7,,,,,,MGMDGPHTYZIJCK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.672,273-361-7,68957-69-7,Chromium(3+) heptanoate,chromium(3+) triheptanoate,[Cr+3].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],[Cr+3].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-].CCCCCCC(=O)[O-],"InChI=1/3C7H14O2.Cr/c3*1-2-3-4-5-6-7(8)9;/h3*2-6H2,1H3,(H,8,9);/q;;;+3/p-3",C7H14O2.1/3Cr,,,,,,IIVPGICOVBMDFD-UHFFFAOYSA-K,,,,,,,,,,,
100.066.692,273-383-7,68958-97-4,[(1-methylpropan-1-yl-3-ylidene)tris[2-tert-butyl-5-methyl-p-phenylene]]tris[di(tridecyl)phosphine],"[butane-1,1,3-triyltris(5-tert-butyl-2-methyl-4,1-phenylene)]tris(ditridecylphosphine)",CCCCCCCCCCCCCP(CCCCCCCCCCCCC)c1cc(c(cc1C)C(C)CC(c2cc(C)c(cc2C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)c3cc(C)c(cc3C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)C(C)(C)C,CCCCCCCCCCCCCP(CCCCCCCCCCCCC)c1cc(c(cc1C)C(C)CC(c2cc(C)c(cc2C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)c3cc(C)c(cc3C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)C(C)(C)C,"InChI=1/C115H211P3/c1-20-26-32-38-44-50-56-62-68-74-80-86-116(87-81-75-69-63-57-51-45-39-33-27-21-2)110-96-107(113(11,12)13)103(93-100(110)8)99(7)92-104(105-94-101(9)111(97-108(105)114(14,15)16)117(88-82-76-70-64-58-52-46-40-34-28-22-3)89-83-77-71-65-59-53-47-41-35-29-23-4)106-95-102(10)112(98-109(106)115(17,18)19)118(90-84-78-72-66-60-54-48-42-36-30-24-5)91-85-79-73-67-61-55-49-43-37-31-25-6/h93-99,104H,20-92H2,1-19H3",C115H211O9P3,,,,,,RAPBBFJPGSOSCR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.147,273-883-5,69121-21-7,"2,5-dichloro-4-sulphonatobenzenediazonium","2,5-dichloro-4-diazoniobenzenesulfonate",[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)[N+]#N,[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)[N+]#N,"InChI=1/C6H2Cl2N2O3S/c7-3-2-6(14(11,12)13)4(8)1-5(3)10-9/h1-2H",C6H2Cl2N2O3S,,,,,,NHUITRBCJABNMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.151,273-887-7,69125-07-1,Ethyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium ethyl sulphate,"3-(dodecanoylamino)-N-ethyl-N,N-dimethylpropan-1-aminium ethyl sulfate",CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1/C19H40N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(3,4)6-2;1-2-6-7(3,4)5/h5-18H2,1-4H3;2H2,1H3,(H,3,4,5)",C19H41N2O.C2H5O4S,,,,,,RVJGNLJKCPOIQA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.159,273-896-6,69155-42-6,"1,1,1,3,5,7,7,7-octamethyl-3,5-bis[3-(oxiranylmethoxy)propyl]tetrasiloxane","1,1,1,3,5,7,7,7-octamethyl-3,5-bis[3-(oxiran-2-ylmethoxy)propyl]tetrasiloxane",C[Si](C)(C)O[Si](C)(CCCOCC1CO1)O[Si](C)(CCCOCC2CO2)O[Si](C)(C)C,C[Si](C)(C)O[Si](C)(CCCOCC1CO1)O[Si](C)(CCCOCC2CO2)O[Si](C)(C)C,"InChI=1/C20H46O7Si4/c1-28(2,3)25-30(7,13-9-11-21-15-19-17-23-19)27-31(8,26-29(4,5)6)14-10-12-22-16-20-18-24-20/h19-20H,9-18H2,1-8H3",C20H46O7Si4,,,,,,JUWDVKFMBOWEOL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.588,275-471-0,71461-24-0,"(R)-6-(p-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalate","6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole oxalate",OC(=O)C(=O)O.Brc1ccc(cc1)[C@@H]2CN3CCSC3=N2,OC(=O)C(=O)O.Brc1ccc(cc1)[C@@H]2CN3CCSC3=N2,"InChI=1/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)",C11H11BrN2S.C2H2O4,,,,,,ZULBIBHDIQCNIS-PPHPATTJSA-N,,,,,,,,,,,
100.071.954,279-174-7,79520-77-7,"5,5'-[[1,1'-biphenyl]-2,5-diylbis(oxy)]bis[2,2-dimethylvaleric] acid","5,5'-[biphenyl-2,5-diylbis(oxy)]bis(2,2-dimethylpentanoic acid)",CC(C)(CCCOc1ccc(OCCCC(C)(C)C(=O)O)c(c1)c2ccccc2)C(=O)O,CC(C)(CCCOc1ccc(OCCCC(C)(C)C(=O)O)c(c1)c2ccccc2)C(=O)O,"InChI=1/C26H34O6/c1-25(2,23(27)28)14-8-16-31-20-12-13-22(21(18-20)19-10-6-5-7-11-19)32-17-9-15-26(3,4)24(29)30/h5-7,10-13,18H,8-9,14-17H2,1-4H3,(H,27,28)(H,29,30)",C26H34O6,,,,,,RPGQBVHHFQUGBU-UHFFFAOYSA-N,,,,,,,,,,,
100.071.958,279-178-9,79544-31-3,"3,4-dinitrobenzyl alcohol","(3,4-dinitrophenyl)methanol",OCc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],OCc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C7H6N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-3,10H,4H2",C7H6N2O5,,,,,,GALBVKDHQBDIJR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.963,279-184-1,79569-97-4,"Ethyl 2-cyano-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenoate","ethyl 2-cyano-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoate",CCOC(=O)C(=CCC1C\\C=C(\\C)C1(C)C)C#N,CCOC(=O)C(=CCC1C\C=C(\C)C1(C)C)C#N,"InChI=1/C15H21NO2/c1-5-18-14(17)12(10-16)7-9-13-8-6-11(2)15(13,3)4/h6-7,13H,5,8-9H2,1-4H3",C15H21NO2,,,,,,FDAVWZNEFYRZSM-UHFFFAOYSA-N,,,,,,,,,,,
100.071.969,279-190-4,79574-98-4,p-tolylguanidinium nitrate,N-carbamimidoyl-4-methylanilinium nitrate,Cc1ccc([NH2+]C(=N)N)cc1.[O-][N+](=O)[O-],Cc1ccc([NH2+]C(=N)N)cc1.[O-][N+](=O)[O-],"InChI=1/C8H11N3.NO3/c1-6-2-4-7(5-3-6)11-8(9)10;2-1(3)4/h2-5H,1H3,(H4,9,10,11);/q;-1/p+1",C8H11N3.HNO3,,,,,,CXULDDXGJVXNQQ-UHFFFAOYSA-O,,,,,,,,,,,
100.071.975,279-197-2,79614-52-1,Ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate,ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate,CCOC(=O)c1cnc(OCC)nc1Cl,CCOC(=O)c1cnc(OCC)nc1Cl,"InChI=1/C9H11ClN2O3/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3",C9H11ClN2O3,,,,,,GRLKBTHCYBPJBT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.977,279-199-3,79629-13-3,"2,2'-azobis[2-methylpropionamidine] diacetate","2,2'-diazene-1,2-diylbis(2-methylpropanimidamide) diacetate",CC(O)=O.CC(O)=O.NC(=N)C(C)(C)N=NC(C)(C)C(N)=N,CC(O)=O.CC(O)=O.NC(=N)C(C)(C)N=NC(C)(C)C(N)=N,"InChI=1/C8H18N6.2C2H4O2/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;2*1-2(3)4/h1-4H3,(H3,9,10)(H3,11,12);2*1H3,(H,3,4)",C8H18N6.2C2H4O2,,,,,,RDZMIVARQKFIHO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.978,279-200-7,79630-23-2,3-bromo-4-fluorobenzonitrile,3-bromo-4-fluorobenzonitrile,Fc1ccc(cc1Br)C#N,Fc1ccc(cc1Br)C#N,InChI=1/C7H3BrFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,C7H3BrFN,,,,,,JKCYKISVUIVZCS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.983,279-205-4,79641-29-5,1-amino-4-[[5-[(2-hydroxyethyl)sulphonyl]-2-methoxyphenyl]amino]anthraquinone,"1-amino-4-({5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl}amino)-9,10-anthraquinone",COc1ccc(cc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)CCO,COc1ccc(cc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)CCO,"InChI=1/C23H20N2O6S/c1-31-19-9-6-13(32(29,30)11-10-26)12-18(19)25-17-8-7-16(24)20-21(17)23(28)15-5-3-2-4-14(15)22(20)27/h2-9,12,25-26H,10-11,24H2,1H3",C23H20N2O6S,,,,,,CNCQCRCJZPZPKA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.984,279-207-5,79641-31-9,"2-[[3-[(4-acetamido-9,10-dihydro-9,10-dioxo-1-anthryl)amino]-4-methoxyphenyl]sulphonyl]ethyl acetate","2-({3-[(4-acetamido-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-4-methoxyphenyl}sulfonyl)ethyl acetate",COc1ccc(cc1Nc2ccc(NC(=O)C)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)CCOC(=O)C,COc1ccc(cc1Nc2ccc(NC(=O)C)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)CCOC(=O)C,"InChI=1/C27H24N2O8S/c1-15(30)28-20-9-10-21(25-24(20)26(32)18-6-4-5-7-19(18)27(25)33)29-22-14-17(8-11-23(22)36-3)38(34,35)13-12-37-16(2)31/h4-11,14,29H,12-13H2,1-3H3,(H,28,30)",C27H24N2O8S,,,,,,QSUUWOZVFLFFKO-UHFFFAOYSA-N,,,,,,,,,,,
100.073.829,281-236-3,83898-28-6,"4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-a,a-diphenylpiperidine-1-butyronitrile","4-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]-2,2-diphenylbutanenitrile",O=C1Nc2ccccc2N1C3CCN(CCC(C#N)(c4ccccc4)c5ccccc5)CC3,O=C1Nc2ccccc2N1C3CCN(CCC(C#N)(c4ccccc4)c5ccccc5)CC3,"InChI=1/C28H28N4O/c29-21-28(22-9-3-1-4-10-22,23-11-5-2-6-12-23)17-20-31-18-15-24(16-19-31)32-26-14-8-7-13-25(26)30-27(32)33/h1-14,24H,15-20H2,(H,30,33)",C28H28N4O,,,,,,PHOZZEGHYJVRDX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.831,281-238-4,83898-30-0,Ethyl 4-[[1-benzyl-1H-benzimidazol-2-yl]amino]piperidine-1-carboxylate,ethyl 4-[(1-benzyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3n2Cc4ccccc4,CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3n2Cc4ccccc4,"InChI=1/C22H26N4O2/c1-2-28-22(27)25-14-12-18(13-15-25)23-21-24-19-10-6-7-11-20(19)26(21)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,24)",C22H26N4O2,,,,,,WPQPNOWHQWLFBD-UHFFFAOYSA-N,,,,,,,,,,,
100.073.833,281-241-0,83898-32-2,2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile,2-(1-benzylpiperidin-4-yl)-2-phenylpentanedinitrile,N#CCCC(C#N)(C1CCN(Cc2ccccc2)CC1)c3ccccc3,N#CCCC(C#N)(C1CCN(Cc2ccccc2)CC1)c3ccccc3,"InChI=1/C23H25N3/c24-15-7-14-23(19-25,21-10-5-2-6-11-21)22-12-16-26(17-13-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-14,16-18H2",C23H25N3,,,,,,DYAREKOTPJQVFN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.839,281-247-3,83898-38-8,"N,N-bis(2-chloropropyl)-p-toluenesulphonamide","N,N-bis(2-chloropropyl)-4-methylbenzenesulfonamide",CC(Cl)CN(CC(C)Cl)S(=O)(=O)c1ccc(C)cc1,CC(Cl)CN(CC(C)Cl)S(=O)(=O)c1ccc(C)cc1,"InChI=1/C13H19Cl2NO2S/c1-10-4-6-13(7-5-10)19(17,18)16(8-11(2)14)9-12(3)15/h4-7,11-12H,8-9H2,1-3H3",C13H19Cl2NO2S,,,,,,FQOGAIVBWOJCFU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.122,276-057-2,71832-85-4,Calcium bis[4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate],calcium bis[4-({1-[(2-chlorophenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate],[Ca+2].Clc2ccccc2NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)c(c2)[N+]([O-])=O,[Ca+2].Clc2ccccc2NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1Cl)c(c2)[N+]([O-])=O,"InChI=1/2C16H13ClN4O7S.Ca/c2*1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25;/h2*2-8,15H,1H3,(H,18,23)(H,26,27,28);/q;;+2/p-2",C16H13ClN4O7S.1/2Ca,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13839,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.122,VAIFZRVTOUVLAW-UHFFFAOYSA-L,,,,,,,,,,,
100.065.308,271-860-4,68610-36-6,"Propanenitrile, 3-(C12-15-alkyloxy) derivs.",3-(tridecyloxy)propanenitrile,CCCCCCCCCCCCCOCCC#N,CCCCCCCCCCCCCOCCC#N,"InChI=1/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-13,15-16H2,1H3",-,,,,,,QNXKSVYXNGTPLX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.062,273-789-4,69029-24-9,"1-Tetradecanol, phosphate",tetradecyl phosphate,CCCCCCCCCCCCCCOP(=O)([O-])[O-],CCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)/p-2",-,,,,,,KRIXEEBVZRZHOS-UHFFFAOYSA-L,,,,,,,,,,,
100.067.107,273-839-5,69029-99-8,Sodium 6-amino-5-[(4-anilinosulphonylphenyl)azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-4-hydroxy-5-{[4-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2-sulfonate,[Na+].O=S(=O)(Nc1ccccc1)c2ccc(cc2)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,[Na+].O=S(=O)(Nc1ccccc1)c2ccc(cc2)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,"InChI=1/C22H18N4O6S2.Na/c23-19-11-6-14-12-18(34(30,31)32)13-20(27)21(14)22(19)25-24-15-7-9-17(10-8-15)33(28,29)26-16-4-2-1-3-5-16;/h1-13,26-27H,23H2,(H,30,31,32);/q;+1/p-1",C22H18N4O6S2.Na,,,,,,PHFFTMDAGZHLEM-UHFFFAOYSA-M,,,,,,,,,,,
100.063.555,269-932-5,68391-17-3,5-[[[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]thio]phenyl]azo]salicylic acid,5-{[2-({4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl}sulfanyl)phenyl]diazenyl}-2-hydroxybenzoic acid,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Sc4ccccc4N=Nc3cc(C(O)=O)c(O)cc3,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Sc4ccccc4N=Nc3cc(C(O)=O)c(O)cc3,"InChI=1/C26H18N4O6S/c31-22-11-7-16(13-19(22)25(33)34)28-27-15-5-9-18(10-6-15)37-24-4-2-1-3-21(24)30-29-17-8-12-23(32)20(14-17)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)",C26H18N4O6S,,,,,,SKLJVVXODZQYRW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.556,269-933-0,68391-20-8,Carbonylbis[(1H-benzimidazol-1-ylcarbonyl)benzoic] acid,"3,3'-carbonylbis[2-(1H-benzimidazol-1-ylcarbonyl)benzoic acid]",OC(=O)c1cccc(C(=O)c2cccc(C(=O)O)c2C(=O)n3cnc4ccccc34)c1C(=O)n5cnc6ccccc56,OC(=O)c1cccc(C(=O)c2cccc(C(=O)O)c2C(=O)n3cnc4ccccc34)c1C(=O)n5cnc6ccccc56,"InChI=1/C31H18N4O7/c36-27(17-7-5-9-19(30(39)40)25(17)28(37)34-15-32-21-11-1-3-13-23(21)34)18-8-6-10-20(31(41)42)26(18)29(38)35-16-33-22-12-2-4-14-24(22)35/h1-16H,(H,39,40)(H,41,42)",C31H18N4O7,,,,,,HPTDYUOLHKHPJK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.560,269-937-2,68391-26-4,"2-(1H-benzimidazol-1-ylcarbonyl)-3,4,5,6-tetrachlorobenzoic acid","2-(1H-benzimidazol-1-ylcarbonyl)-3,4,5,6-tetrachlorobenzoic acid",OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)n2cnc3ccccc23,OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)n2cnc3ccccc23,"InChI=1/C15H6Cl4N2O3/c16-10-8(9(15(23)24)11(17)13(19)12(10)18)14(22)21-5-20-6-3-1-2-4-7(6)21/h1-5H,(H,23,24)",C15H6Cl4N2O3,,,,,,LSXSFYOXBYEKGC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.573,269-951-9,68391-43-5,2-chloro-4-nitrobenzenediazonium sulphate (2:1),bis(2-chloro-4-nitrobenzenediazonium) sulfate,[O-][N+](=O)c1ccc([N+]#N)c(Cl)c1.[O-][N+](=O)c2ccc([N+]#N)c(Cl)c2.[O-]S(=O)(=O)[O-],[O-][N+](=O)c1ccc([N+]#N)c(Cl)c1.[O-][N+](=O)c2ccc([N+]#N)c(Cl)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H3ClN3O2.H2O4S/c2*7-5-3-4(10(11)12)1-2-6(5)9-8;1-5(2,3)4/h2*1-3H;(H2,1,2,3,4)/q2*+1;/p-2",C6H3ClN3O2.1/2O4S,,,,,,ZCJWMAWJAJTAEO-UHFFFAOYSA-L,,,,,,,,,,,
100.063.576,269-955-0,68391-47-9,"2,2'-[[3-acetamido-4-[(2,4-dinitrophenyl)azo]phenyl]imino]diethyl diacetate","({3-acetamido-4-[(2,4-dinitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(c2)NC(C)=O,CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(c2)NC(C)=O,"InChI=1/C22H24N6O9/c1-14(29)23-21-12-17(26(8-10-36-15(2)30)9-11-37-16(3)31)4-6-19(21)24-25-20-7-5-18(27(32)33)13-22(20)28(34)35/h4-7,12-13H,8-11H2,1-3H3,(H,23,29)",C22H24N6O9,,,,,,FLCJGMFVUFLMTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.112,273-844-2,69048-98-2,"1-ethyl-1,2-dihydro-5H-tetrazol-5-one","1-ethyl-1,2-dihydro-5H-tetrazol-5-one",CCN1NN=NC1=O,CCN1NN=NC1=O,"InChI=1/C3H6N4O/c1-2-7-3(8)4-5-6-7/h2H2,1H3,(H,4,6,8)",C3H6N4O,,,,,,YVVZUMUVGRLSRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.114,273-846-3,69049-06-5,"N-[1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide hydrochloride","N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide hydrochloride",Cl.CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)c3ccccc3)C1=O,Cl.CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)c3ccccc3)C1=O,"InChI=1/C21H32N6O3.ClH/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;/h6-10H,4-5,11-17H2,1-3H3;1H",C21H32N6O3.ClH,,,,,,AQORHZJDCHLLJN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.752,276-751-5,72639-28-2,"N-(o-anisyl)-3-hydroxy-4-[(1,2,3,4-tetrahydro-2,4-dioxoquinazolin-6-yl)azo]naphthalene-2-carboxamide","4-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)diazenyl]-3-hydroxy-N-(2-methoxybenzyl)-2-naphthamide",COc5ccccc5CNC(=O)c4cc1ccccc1c(N=Nc2ccc3NC(=O)NC(=O)c3c2)c4O,COc5ccccc5CNC(=O)c4cc1ccccc1c(N=Nc2ccc3NC(=O)NC(=O)c3c2)c4O,"InChI=1/C27H21N5O5/c1-37-22-9-5-3-7-16(22)14-28-25(34)20-12-15-6-2-4-8-18(15)23(24(20)33)32-31-17-10-11-21-19(13-17)26(35)30-27(36)29-21/h2-13,33H,14H2,1H3,(H,28,34)(H2,29,30,35,36)",C26H19N5O5,,,,,,PFJCBMWHANFGGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.088.993,297-938-8,93776-12-6,"(2-carboxylatoethyl)(dimethyl)[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)amino]propyl]ammonium","3-(dimethyl{3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)amino]propyl}ammonio)propanoate",C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)[O-],C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)[O-],"InChI=1/C23H23F25N2O3/c1-50(2,7-4-11(52)53)6-3-5-49-9-10(51)8-12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)48/h10,49,51H,3-9H2,1-2H3",C23H23F25N2O3,,,,,,LVPNCFLXSPIMDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.088.997,297-943-5,93776-16-0,"Bis(2-hydroxyethyl)methyl(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)ammonium iodide","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methylpentadecan-1-aminium iodide",[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H19F25NO3.HI/c1-46(2-4-47,3-5-48)7-8(49)6-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45;/h8,47-49H,2-7H2,1H3;1H/q+1;/p-1",C20H19F25NO3.I,,,,,,YKFJAJAZXNTEBV-UHFFFAOYSA-M,,,,,,,,,,,
100.090.198,299-265-5,93858-32-3,Sodium (Z)-N-[2-[(2-hydroxyethyl)amino]ethyl]-N-(1-oxo-9-octadecenyl)glycinate,sodium [{2-[(2-hydroxyethyl)amino]ethyl}(oleoyl)amino]acetate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCNCCO)CC(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)N(CCNCCO)CC(=O)[O-],"InChI=1/C24H46N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)26(22-24(29)30)20-18-25-19-21-27;/h9-10,25,27H,2-8,11-22H2,1H3,(H,29,30);/q;+1/p-1",C24H46N2O4.Na,,,,,,QJHBZPMAQLBLLU-KVVVOXFISA-M,,,,,,,,,,,
100.090.201,299-268-1,93858-36-7,"(all-Z)-2-(heptadeca-8,11-dienyl)-4,5-dihydro-1-methyl-1-[2-[(octadeca-9,12-dienoyl)amino]ethyl]-1H-imidazolium methyl sulphate","2-heptadeca-8,11-dien-1-yl-1-methyl-1-[2-(octadeca-9,12-dienoylamino)ethyl]-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",C[N+]1(CCNC(=O)CCCCCCCC=CCC=CCCCCC)CC\\N=C1\\CCCCCCCC=CCC=CCCCCC.[O-]S(=O)(=O)OC,C[N+]1(CCNC(=O)CCCCCCCC=CCC=CCCCCC)CC\N=C1\CCCCCCCC=CCC=CCCCCC.[O-]S(=O)(=O)OC,"InChI=1/C41H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h12-15,18-21H,4-11,16-17,22-39H2,1-3H3;1H3,(H,2,3,4)",C41H74N3O.CH3O4S,,,,,,QKGLKXHABSGUGW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.208,299-276-5,93858-45-8,(4-methylphenyl)methyl methacrylate,4-methylbenzyl methacrylate,CC(=C)C(=O)OCc1ccc(C)cc1,CC(=C)C(=O)OCc1ccc(C)cc1,"InChI=1/C12H14O2/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h4-7H,1,8H2,2-3H3",C12H14O2,,,,,,ZALFZMYXGFDRIW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.212,299-280-7,93858-49-2,N-[3-(dimethylamino)propyl]methacrylamide monohydrochloride,N-[3-(dimethylamino)propyl]-2-methylacrylamide hydrochloride,Cl.CN(C)CCCNC(=O)C(=C)C,Cl.CN(C)CCCNC(=O)C(=C)C,"InChI=1/C9H18N2O.ClH/c1-8(2)9(12)10-6-5-7-11(3)4;/h1,5-7H2,2-4H3,(H,10,12);1H",C9H18N2O.ClH,,,,,,CTQCRZPAPNYGJT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.215,299-283-3,93858-52-7,"3,4-dimethyl-N-phenylphenethylamine","N-[2-(3,4-dimethylphenyl)ethyl]aniline",Cc1ccc(CCNc2ccccc2)cc1C,Cc1ccc(CCNc2ccccc2)cc1C,"InChI=1/C16H19N/c1-13-8-9-15(12-14(13)2)10-11-17-16-6-4-3-5-7-16/h3-9,12,17H,10-11H2,1-2H3",C16H19N,,,,,,JDJSBDDDTANDHL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.219,299-288-0,93858-56-1,"Cinnamic acid, compound with 1,1',1''-nitrilotri(propan-2-ol) (1:1)","3-phenylacrylic acid - 1,1',1''-nitrilotripropan-2-ol (1:1)",CC(O)CN(CC(C)O)CC(C)O.OC(=O)\\C=C\\c1ccccc1,CC(O)CN(CC(C)O)CC(C)O.OC(=O)\C=C\c1ccccc1,"InChI=1/C9H21NO3.C9H8O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;10-9(11)7-6-8-4-2-1-3-5-8/h7-9,11-13H,4-6H2,1-3H3;1-7H,(H,10,11)",C9H21NO3.C9H8O2,,,,,,DWGGUICGRRNLHS-UETGHTDLSA-N,,,,,,,,,,,
100.092.093,301-348-9,94006-12-9,Propyl diphenylglycolate,propyl hydroxy(diphenyl)acetate,CCCOC(=O)C(O)(c1ccccc1)c2ccccc2,CCCOC(=O)C(O)(c1ccccc1)c2ccccc2,"InChI=1/C17H18O3/c1-2-13-20-16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,19H,2,13H2,1H3",C17H18O3,,,,,,IKFSGYFNHOQVPF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.098,301-354-1,94006-17-4,"2-[(acetyl)[2-[(9Z,12Z)-octadeca-9,12-dienoylamino]ethyl]amino]ethyl acetate","2-{acetyl[2-(octadeca-9,12-dienoylamino)ethyl]amino}ethyl acetate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)NCCN(CCOC(=O)C)C(=O)C,CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCN(CCOC(=O)C)C(=O)C,"InChI=1/C26H46N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31)27-20-21-28(24(2)29)22-23-32-25(3)30/h8-9,11-12H,4-7,10,13-23H2,1-3H3,(H,27,31)",C26H46N2O4,,,,,,KXHHGVXKLUUNOS-MURFETPASA-N,,,,,,,,,,,
100.068.593,275-476-8,71463-38-2,Calcium bis(3-acetoacetylaminobenzenesulphonate),calcium bis[3-(acetoacetylamino)benzenesulfonate],[Ca+2].CC(=O)CC(=O)Nc1cccc(c1)S(=O)(=O)[O-].CC(=O)CC(=O)Nc2cccc(c2)S(=O)(=O)[O-],[Ca+2].CC(=O)CC(=O)Nc1cccc(c1)S(=O)(=O)[O-].CC(=O)CC(=O)Nc2cccc(c2)S(=O)(=O)[O-],"InChI=1/2C10H11NO5S.Ca/c2*1-7(12)5-10(13)11-8-3-2-4-9(6-8)17(14,15)16;/h2*2-4,6H,5H2,1H3,(H,11,13)(H,14,15,16);/q;;+2/p-2",C10H11NO5S.1/2Ca,,,,,,APISXHYGURONAP-UHFFFAOYSA-L,,,,,,,,,,,
100.068.597,275-481-5,71463-43-9,2-hydroxyethyl(trimethyl)ammonium N-acetyl-DL-methionate,"2-hydroxy-N,N,N-trimethylethanaminium 2-acetamido-4-(methylsulfanyl)butanoate",CSCC[C@H](NC(=O)C)C(=O)[O-].C[N+](C)(C)CCO,CSCC[C@H](NC(=O)C)C(=O)[O-].C[N+](C)(C)CCO,"InChI=1/C7H13NO3S.C5H14NO/c1-5(9)8-6(7(10)11)3-4-12-2;1-6(2,3)4-5-7/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1",C7H12NO3S.C5H14NO,,,,,,OTKITTZBFOVAMQ-RGMNGODLSA-M,,,,,,,,,,,
100.068.599,275-483-6,71463-45-1,Z-9-octadecenyl N-acetyl-DL-methionate,octadec-9-en-1-yl N-acetyl-L-methioninate,CCCCCCCC\\C=C/CCCCCCCCOC(=O)[C@H](CCSC)NC(=O)C,CCCCCCCC\C=C/CCCCCCCCOC(=O)[C@H](CCSC)NC(=O)C,"InChI=1/C25H47NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-25(28)24(20-22-30-3)26-23(2)27/h11-12,24H,4-10,13-22H2,1-3H3,(H,26,27)",C25H47NO3S,,,,,,MSUIDJYDPJQWJZ-IPYQYMIDSA-N,,,,,,,,,,,
100.068.602,275-486-2,71463-48-4,"Bis(2,5-dichloroanilinium) sulphate","bis(2,5-dichloroanilinium) sulfate",[NH3+]c1cc(Cl)ccc1Cl.[NH3+]c2cc(Cl)ccc2Cl.[O-]S(=O)(=O)[O-],[NH3+]c1cc(Cl)ccc1Cl.[NH3+]c2cc(Cl)ccc2Cl.[O-]S(=O)(=O)[O-],"InChI=1/2C6H5Cl2N.H2O4S/c2*7-4-1-2-5(8)6(9)3-4;1-5(2,3)4/h2*1-3H,9H2;(H2,1,2,3,4)",C6H5Cl2N.1/2H2O4S,,,,,,PKWMIEJJYIDBRE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.603,275-487-8,71463-49-5,"2,6-dichlorophenyl 2,6-dichlorobenzoate","2,6-dichlorophenyl 2,6-dichlorobenzoate",Clc1cccc(Cl)c1OC(=O)c2c(Cl)cccc2Cl,Clc1cccc(Cl)c1OC(=O)c2c(Cl)cccc2Cl,InChI=1/C13H6Cl4O2/c14-7-3-1-4-8(15)11(7)13(18)19-12-9(16)5-2-6-10(12)17/h1-6H,C13H6Cl4O2,,,,,,HPJVLKRIWVAIPT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.609,275-494-6,71463-55-3,"1-(2,4-dichlorophenyl)cyclopropanecarbonitrile","1-(2,4-dichlorophenyl)cyclopropanecarbonitrile",Clc1ccc(c(Cl)c1)C2(CC2)C#N,Clc1ccc(c(Cl)c1)C2(CC2)C#N,"InChI=1/C10H7Cl2N/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2",C10H7Cl2N,,,,,,VDKKBWVLLSVWKI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.612,275-497-2,71463-58-6,"1-(2,6-dichlorophenyl)-3-methylurea","1-(2,6-dichlorophenyl)-3-methylurea",CNC(=O)Nc1c(Cl)cccc1Cl,CNC(=O)Nc1c(Cl)cccc1Cl,"InChI=1/C8H8Cl2N2O/c1-11-8(13)12-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12,13)",C8H8Cl2N2O,,,,,,GZGMPIOPYIEASI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.848,270-254-7,68413-83-2,2-(1-methylethoxy)ethyl bis(hydroxymethyl)carbamate,2-isopropoxyethyl bis(hydroxymethyl)carbamate,CC(C)OCCOC(=O)N(CO)CO,CC(C)OCCOC(=O)N(CO)CO,"InChI=1/C8H17NO5/c1-7(2)13-3-4-14-8(12)9(5-10)6-11/h7,10-11H,3-6H2,1-2H3",C8H17NO5,,,,,,JPRGMWPQMBXHAO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.849,270-255-2,68413-84-3,"[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl stearate","[{4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl}(methoxymethyl)amino]methyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC,CCCCCCCCCCCCCCCCCC(=O)OCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC,"InChI=1/C32H62N6O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(39)45-28-38(27-44-6)32-34-30(36(23-40-2)24-41-3)33-31(35-32)37(25-42-4)26-43-5/h7-28H2,1-6H3",C32H62N6O7,,,,,,KQVFVDOZFFPYHG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.857,270-264-1,68413-93-4,"N,N'-bis[2-(diethylamino)ethyl]propane-1,3-diamine","N,N'-bis[2-(diethylamino)ethyl]propane-1,3-diamine",CCN(CC)CCNCCCNCCN(CC)CC,CCN(CC)CCNCCCNCCN(CC)CC,"InChI=1/C15H36N4/c1-5-18(6-2)14-12-16-10-9-11-17-13-15-19(7-3)8-4/h16-17H,5-15H2,1-4H3",C15H36N4,,,,,,DNLSJBVDVPAZJP-UHFFFAOYSA-N,,,,,,,,,,,
100.063.862,270-269-9,68420-16-6,"Butyl (Z,Z,Z)-6-[(4-butoxy-1,4-dioxobut-2-enyl)oxy]oct-6-yl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate",6-{bis[(4-butoxy-4-oxobut-2-enoyl)oxy]stannyl}octyl butyl but-2-enedioate,O=C(O[Sn](OC(=O)\\C=C/C(=O)OCCCC)C(CCCCCOC(=O)C=CC(=O)OCCCC)CC)\\C=C/C(=O)OCCCC,O=C(O[Sn](OC(=O)\C=C/C(=O)OCCCC)C(CCCCCOC(=O)C=CC(=O)OCCCC)CC)\C=C/C(=O)OCCCC,"InChI=1/C16H27O4.2C8H12O4.Sn/c1-3-5-7-8-9-10-14-20-16(18)12-11-15(17)19-13-6-4-2;2*1-2-3-6-12-8(11)5-4-7(9)10;/h5,11-12H,3-4,6-10,13-14H2,1-2H3;2*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;+3/p-2/rC32H49O12Sn/c1-5-9-22-39-27(33)16-17-28(34)42-25-14-12-13-15-26(8-4)45(43-31(37)20-18-29(35)40-23-10-6-2)44-32(38)21-19-30(36)41-24-11-7-3/h16-21,26H,5-15,22-25H2,1-4H3/q+1",C32H50O12Sn,,,,,,GEHDZTCMBBCYTR-OZITUSCZSA-L,,,,,,,,,,,
100.063.864,270-272-5,68422-67-3,Barium 5-[(dimethylphenyl)azo]-6-hydroxynaphthalene-2-sulphonate,"barium bis{5-[(2,3-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate}",[Ba+2].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1cccc(C)c1C)c3cc2.[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1cccc(C)c1C)c3cc2,[Ba+2].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1cccc(C)c1C)c3cc2.[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1cccc(C)c1C)c3cc2,"InChI=1/2C18H16N2O4S.Ba/c2*1-11-4-3-5-16(12(11)2)19-20-18-15-8-7-14(25(22,23)24)10-13(15)6-9-17(18)21;/h2*3-10,21H,1-2H3,(H,22,23,24);/q;;+2/p-2",C18H16N2O4S.1/2Ba,,,,,,BZTOGTMMXIBPKK-UHFFFAOYSA-L,,,,,,,,,,,
100.073.842,281-251-5,83898-41-3,"3,4-dihydro-2H-pyrimido[2,1-b]benzothiazol-7-amine","3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine",Nc1ccc2SC3=NCCCN3c2c1,Nc1ccc2SC3=NCCCN3c2c1,"InChI=1/C10H11N3S/c11-7-2-3-9-8(6-7)13-5-1-4-12-10(13)14-9/h2-3,6H,1,4-5,11H2",C10H11N3S,,,,,,QTXOVTCIKWLVOS-UHFFFAOYSA-N,,,,,,,,,,,
100.073.853,281-263-0,83898-52-6,"Dodecyl 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate","dodecyl 5-butyl-5-{[3-(dodecyloxy)-3-oxopropyl]sulfanyl}-9-oxo-10-oxa-4,6-dithia-5-stannadocosan-1-oate",CCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(SCCC(=O)OCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(SCCC(=O)OCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC,"InChI=1/3C15H30O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;1-3-4-2;/h3*18H,2-14H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC49H96O6S3Sn/c1-5-9-13-16-19-22-25-28-31-34-40-53-47(50)37-43-56-59(46-12-8-4,57-44-38-48(51)54-41-35-32-29-26-23-20-17-14-10-6-2)58-45-39-49(52)55-42-36-33-30-27-24-21-18-15-11-7-3/h5-46H2,1-4H3",C49H96O6S3Sn,,,,,,HJTDGDJPAASXLC-UHFFFAOYSA-K,,,,,,,,,,,
100.073.862,281-273-5,83898-61-7,"1,3-bis(1,1-dimethylethyl)-2-naphthol","1,3-di-tert-butyl-2-naphthol",CC(C)(C)c1cc2ccccc2c(c1O)C(C)(C)C,CC(C)(C)c1cc2ccccc2c(c1O)C(C)(C)C,"InChI=1/C18H24O/c1-17(2,3)14-11-12-9-7-8-10-13(12)15(16(14)19)18(4,5)6/h7-11,19H,1-6H3",C18H24O,,,,,,QOXKLMBZSCTWLR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.863,281-274-0,83898-62-8,"N-(2,6-dichlorophenyl)hexahydro-3,3-dimethyl-1-oxoimidazo[1,5-a]pyrazine-7(1H)-acetamide","N-(2,6-dichlorophenyl)-2-(3,3-dimethyl-1-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl)acetamide",CC1(C)NC(=O)C2CN(CC(=O)Nc3c(Cl)cccc3Cl)CCN12,CC1(C)NC(=O)C2CN(CC(=O)Nc3c(Cl)cccc3Cl)CCN12,"InChI=1/C16H20Cl2N4O2/c1-16(2)20-15(24)12-8-21(6-7-22(12)16)9-13(23)19-14-10(17)4-3-5-11(14)18/h3-5,12H,6-9H2,1-2H3,(H,19,23)(H,20,24)",C16H20Cl2N4O2,,,,,,CXAHNNQZUPGRAO-UHFFFAOYSA-N,,,,,,,,,,,
100.076.484,284-163-5,84794-58-1,N-(N-L-alanyl-L-alanyl)-O-methyl-L-alanine monoacetate,methyl L-alanyl-L-alanyl-L-alaninate acetate,COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N.CC(=O)O,COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N.CC(=O)O,"InChI=1/C10H19N3O4.C2H4O2/c1-5(11)8(14)12-6(2)9(15)13-7(3)10(16)17-4;1-2(3)4/h5-7H,11H2,1-4H3,(H,12,14)(H,13,15);1H3,(H,3,4)",C10H19N3O4.C2H4O2,,,,,,OIXCZCRTUYQFFJ-MKXDVQRUSA-N,,,,,,,,,,,
100.071.750,278-948-1,78564-59-7,"Phosphoric acid, dodecyl ester, compd. with 2-aminoethanol",dodecyl dihydrogen phosphate - 2-aminoethanol (1:1),CCCCCCCCCCCCOP(=O)(O)O.NCCO,CCCCCCCCCCCCOP(=O)(O)O.NCCO,"InChI=1/C12H27O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;3-1-2-4/h2-12H2,1H3,(H2,13,14,15);4H,1-3H2",-,,,,,,LQNRPMPBDYBWMW-UHFFFAOYSA-N,,,,,,,,,,,
100.071.752,278-950-2,78568-45-3,"Dodecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",2-[2-(dodecyloxy)-2-oxoethyl]-2-hydroxysuccinic acid,CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C18H32O7/c1-2-3-4-5-6-7-8-9-10-11-12-25-16(21)14-18(24,17(22)23)13-15(19)20/h24H,2-14H2,1H3,(H,19,20)(H,22,23)",C18H32O7,,,,,,WEKLUCWCJWZVGP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.758,278-957-0,78619-37-1,"6,7,8,14-tetradehydro-4,5a-epoxy-3,6-dimethoxy-17-methylmorphinan acetate","3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan acetate",COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45.CC(=O)O,COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45.CC(=O)O,"InChI=1/C19H21NO3.C2H4O2/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;1-2(3)4/h4-7,13,18H,8-10H2,1-3H3;1H3,(H,3,4)",C19H21NO3.C2H4O2,,,,,,IPHPUWXFGIFNTP-JFYDKBSOSA-N,,,,,,,,,,,
100.071.759,278-958-6,78619-84-8,"4,4'-bipiperidine dihydrochloride","4,4'-bipiperidine dihydrochloride",Cl.Cl.C1CC(CCN1)C2CCNCC2,Cl.Cl.C1CC(CCN1)C2CCNCC2,"InChI=1/C10H20N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h9-12H,1-8H2;2*1H",C10H20N2.2ClH,,,,,,MQKBVVIPCLTENX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.761,278-960-7,78641-41-5,"4-methoxybenzyl [[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl](4-hydroxyphenyl)acetate","4-methoxybenzyl 3-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-(4-hydroxyphenyl)-3-oxopropanoate",COc1ccc(COC(=O)C(C(=O)ON2C(=O)CCC2=O)c3ccc(O)cc3)cc1,COc1ccc(COC(=O)C(C(=O)ON2C(=O)CCC2=O)c3ccc(O)cc3)cc1,"InChI=1/C21H19NO8/c1-28-16-8-2-13(3-9-16)12-29-20(26)19(14-4-6-15(23)7-5-14)21(27)30-22-17(24)10-11-18(22)25/h2-9,19,23H,10-12H2,1H3",C21H19NO8,,,,,,BMLAWWXMVBJBGP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.762,278-961-2,78641-42-6,"[[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl](4-hydroxyphenyl)acetic acid","3-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-(4-hydroxyphenyl)-3-oxopropanoic acid",OC(=O)C(C(=O)ON1C(=O)CCC1=O)c2ccc(O)cc2,OC(=O)C(C(=O)ON1C(=O)CCC1=O)c2ccc(O)cc2,"InChI=1/C13H11NO7/c15-8-3-1-7(2-4-8)11(12(18)19)13(20)21-14-9(16)5-6-10(14)17/h1-4,11,15H,5-6H2,(H,18,19)",C13H11NO7,,,,,,YURJEDJHWHEGRT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.765,278-964-9,78651-48-6,(E)-2-decen-4-ynoic acid,dec-2-en-4-ynoic acid,CCCCCC#C\\C=C\\C(=O)O,CCCCCC#C\C=C\C(=O)O,"InChI=1/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-5H2,1H3,(H,11,12)",C10H14O2,,,,,,LHIWBBKVOUBCLM-CMDGGOBGSA-N,,,,,,,,,,,
100.069.753,276-752-0,72639-29-3,"Tetrasodium 7-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulphonato-1-naphthyl]azo]naphthalene-1,3,5-trisulphonate","tetrasodium 7-[(4-{[(2,3-dichloroquinoxalin-6-yl)carbonyl]amino}-5-sulfonato-1-naphthyl)diazenyl]naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(cc1c6cc(cc1S([O-])(=O)=O)N=Nc5ccc(NC(=O)c2cc3nc(Cl)c(Cl)nc3cc2)c4c(cccc45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(cc1c6cc(cc1S([O-])(=O)=O)N=Nc5ccc(NC(=O)c2cc3nc(Cl)c(Cl)nc3cc2)c4c(cccc45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C29H17Cl2N5O13S4.4Na/c30-27-28(31)33-22-8-13(4-5-20(22)32-27)29(37)34-21-7-6-19(16-2-1-3-23(26(16)21)51(41,42)43)36-35-14-9-17-18(24(10-14)52(44,45)46)11-15(50(38,39)40)12-25(17)53(47,48)49;;;;/h1-12H,(H,34,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;4*+1/p-4",C29H17Cl2N5O13S4.4Na,,,,,,VPMRIEZGYICHGJ-UHFFFAOYSA-J,,,,,,,,,,,
100.069.754,276-753-6,72639-33-9,"Tripotassium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-6-[[5-chloro-6-methyl-2-(methylsulphonyl)pyrimidin-4-yl]amino]benzene-1,3-disulphonate","tripotassium 4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-6-{[5-chloro-6-methyl-2-(methylsulfonyl)pyrimidin-4-yl]amino}benzene-1,3-disulfonate",[K+].[K+].[K+].Cc1nc(nc(Nc2cc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1Cl)S(=O)(=O)C,[K+].[K+].[K+].Cc1nc(nc(Nc2cc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1Cl)S(=O)(=O)C,"InChI=1/C26H20ClN5O13S4.3K/c1-10-21(27)25(32-26(29-10)46(2,35)36)31-14-7-13(16(47(37,38)39)9-17(14)48(40,41)42)30-15-8-18(49(43,44)45)22(28)20-19(15)23(33)11-5-3-4-6-12(11)24(20)34;;;/h3-9,30H,28H2,1-2H3,(H,29,31,32)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C26H20ClN5O13S4.3K,,,,,,ZPYLDMFMVASTAW-UHFFFAOYSA-K,,,,,,,,,,,
100.069.762,276-762-5,72672-55-0,"2,2'-ethylidenebis[6-(1,1-dimethylethyl)-4-(1-methylpropyl)phenol]","2,2'-ethane-1,1-diylbis(4-sec-butyl-6-tert-butylphenol)",CCC(C)c1cc(C(C)c2cc(cc(c2O)C(C)(C)C)C(C)CC)c(O)c(c1)C(C)(C)C,CCC(C)c1cc(C(C)c2cc(cc(c2O)C(C)(C)C)C(C)CC)c(O)c(c1)C(C)(C)C,"InChI=1/C30H46O2/c1-12-18(3)21-14-23(27(31)25(16-21)29(6,7)8)20(5)24-15-22(19(4)13-2)17-26(28(24)32)30(9,10)11/h14-20,31-32H,12-13H2,1-11H3",C30H46O2,,,,,,ZGUBOEMAXMRLON-UHFFFAOYSA-N,,,,,,,,,,,
100.069.771,276-771-4,72705-26-1,Disodium 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulphonatophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate,"disodium 2-[4-({1-[(2-methoxy-5-methyl-4-sulfonatophenyl)carbamoyl]-2-oxopropyl}diazenyl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(OC)c(cc1C)NC(=O)C(N=Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)C(C)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(OC)c(cc1C)NC(=O)C(N=Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)C(C)=O,"InChI=1/C26H24N4O9S3.2Na/c1-13-5-10-18-23(24(13)42(36,37)38)40-26(28-18)16-6-8-17(9-7-16)29-30-22(15(3)31)25(32)27-19-11-14(2)21(41(33,34)35)12-20(19)39-4;;/h5-12,22H,1-4H3,(H,27,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C26H24N4O9S3.2Na,,,,,,ADKFZTIPPMZAKW-UHFFFAOYSA-L,,,,,,,,,,,
100.063.578,269-957-1,68391-49-1,"3,3'-[[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis(ethyleneoxy)]bispropiononitrile","3,3'-[({4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}imino)bis(ethane-2,1-diyloxy)]dipropanenitrile",Clc2cc(ccc2N=Nc1ccc(cc1)N(CCOCCC#N)CCOCCC#N)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CCOCCC#N)CCOCCC#N)[N+]([O-])=O,"InChI=1/C22H23ClN6O4/c23-21-17-20(29(30)31)7-8-22(21)27-26-18-3-5-19(6-4-18)28(11-15-32-13-1-9-24)12-16-33-14-2-10-25/h3-8,17H,1-2,11-16H2",C22H23ClN6O4,,,,,,FQPWUOTVBNCXQS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.584,269-963-4,68391-58-2,2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hexafluorophosphate,2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hexafluorophosphate,CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[P-](F)(F)(F)(F)F,CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C14H12Cl2N3O.F6P/c1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;1-7(2,3,4,5)6/h3-8H,1-2H3;/q+1;-1",C14H12Cl2N3O.F6P,,,,,,KCWFWUUKSNYLKP-UHFFFAOYSA-N,,,,,,,,,,,
100.063.585,269-965-5,68391-59-3,3-chloro-4-(cyclohexylmethylamino)benzenediazonium hexafluorophosphate,3-chloro-4-[(cyclohexylmethyl)amino]benzenediazonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.Clc1cc(ccc1NCC2CCCCC2)[N+]#N,F[P-](F)(F)(F)(F)F.Clc1cc(ccc1NCC2CCCCC2)[N+]#N,"InChI=1/C13H17ClN3.F6P/c14-12-8-11(17-15)6-7-13(12)16-9-10-4-2-1-3-5-10;1-7(2,3,4,5)6/h6-8,10,16H,1-5,9H2;/q+1;-1",C13H17ClN3.F6P,,,,,,MTYLZRYIBFPSGX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.588,269-968-1,68392-94-9,"Hydrogen 2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium, compound with triethylamine","hydrogen 3-(2-{[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate - N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4c5ccccc5ccc4sc3C=C2Sc1ccc(cc1N2CCCS([O-])(=O)=O)OC,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCC[n+]3c4c5ccccc5ccc4sc3C=C2Sc1ccc(cc1N2CCCS([O-])(=O)=O)OC,"InChI=1/C26H26N2O7S4.C6H15N.H2/c1-35-19-9-11-22-21(16-19)27(12-4-14-38(29,30)31)24(36-22)17-25-28(13-5-15-39(32,33)34)26-20-7-3-2-6-18(20)8-10-23(26)37-25;1-4-7(5-2)6-3;/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H-,29,30,31,32,33,34);4-6H2,1-3H3;1H/q;;+1/p-1",C26H26N2O7S4.C6H15N,,,,,,CENOURTWKFERQO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.101,301-357-8,94006-20-9,"Hexacosanoic acid, lead salt",-,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C26H52O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;;;/h2-25H2,1H3,(H,27,28);;;/q;+4;;/rC26H52O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2-25H2,1H3,(H,27,28);1H2/q;+4",C26H52O2.xPb,,,,,,DCDHFNGLMREXSP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.103,301-359-9,94006-23-2,Disodium 4-[2-[(2-hydroxyethyl)(1-oxododecyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-{2-[dodecanoyl(2-hydroxyethyl)amino]ethoxy}-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H37NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(23)21(12-14-22)13-15-30-19(24)16-17(20(25)26)31(27,28)29;;/h17,22H,2-16H2,1H3,(H,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H37NO9S.2Na,,,,,,JPQANHUZEGEGSP-UHFFFAOYSA-L,,,,,,,,,,,
100.092.105,301-362-5,94006-25-4,"Pentasodium 2-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(2-sulphonatophenyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate","pentasodium 2-{[4-chloro-6-({8-hydroxy-3,6-disulfonato-7-[(2-sulfonatophenyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}-5-sulfonatobenzoate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccc(cc4C([O-])=O)S([O-])(=O)=O)n5,[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccc(cc4C([O-])=O)S([O-])(=O)=O)n5,"InChI=1/C26H18ClN7O15S4.5Na/c27-24-30-25(28-15-6-5-12(50(38,39)40)9-14(15)23(36)37)32-26(31-24)29-17-10-13(51(41,42)43)7-11-8-19(53(47,48)49)21(22(35)20(11)17)34-33-16-3-1-2-4-18(16)52(44,45)46;;;;;/h1-10,35H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,28,29,30,31,32);;;;;/q;5*+1/p-5",C26H18ClN7O15S4.5Na,,,,,,SCENRBSKRSXUQZ-UHFFFAOYSA-I,,,,,,,,,,,
100.092.108,301-365-1,94006-29-8,"Barium(2+) 4,4'-isopropylidenebisphenolate","barium 4,4'-propane-2,2-diyldiphenolate",[Ba+2].CC(C)(c1ccc([O-])cc1)c2ccc([O-])cc2,[Ba+2].CC(C)(c1ccc([O-])cc1)c2ccc([O-])cc2,"InChI=1/C15H16O2.Ba/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;/h3-10,16-17H,1-2H3;/q;+2/p-2",C15H16O2.1/2Ba,,,,,,BEJJHZGDNWWKHM-UHFFFAOYSA-L,,,,,,,,,,,
100.092.113,301-370-9,94006-34-5,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-2,5-dihydroxyphenyl]hexanamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-{[(4-cyanophenyl)carbamoyl]amino}-2,5-dihydroxyphenyl)hexanamide",CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(O)c(NC(=O)Nc3ccc(cc3)C#N)cc2O,CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(O)c(NC(=O)Nc3ccc(cc3)C#N)cc2O,"InChI=1/C36H46N4O5/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)39-27-20-30(42)28(21-29(27)41)40-34(44)38-25-16-13-23(22-37)14-17-25/h13-21,32,41-42H,8-12H2,1-7H3,(H,39,43)(H2,38,40,44)",C36H46N4O5,,,,,,KYAFNVWMCCXQQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.119,301-377-7,94020-82-3,"Zinc octahydro-4,7-methano-1H-indenecarboxylate","zinc dioctahydro-1H-4,7-methanoindene-1-carboxylate",[Zn+2].[O-]C(=O)C1CCC2C3CCC(C3)C12.[O-]C(=O)C4CCC5C6CCC(C6)C45,[Zn+2].[O-]C(=O)C1CCC2C3CCC(C3)C12.[O-]C(=O)C4CCC5C6CCC(C6)C45,"InChI=1/2C11H16O2.Zn/c2*12-11(13)9-4-3-8-6-1-2-7(5-6)10(8)9;/h2*6-10H,1-5H2,(H,12,13);/q;;+2/p-2",C11H16O2.1/2Zn,,,,,,RWTYSMBJAQGCRU-UHFFFAOYSA-L,,,,,,,,,,,
100.090.642,299-753-8,93894-54-3,"1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulphonamide","1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide",OCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,OCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C8H11F8NO4S/c9-5(10)6(11,12)7(13,14)8(15,16)22(20,21)17(1-3-18)2-4-19/h5,18-19H,1-4H2",C8H11F8NO4S,,,,,,QUQDQNCPLSSGOU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.643,299-754-3,93894-55-4,"1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonic anhydride","1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonic anhydride",FC(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,FC(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C8H2F16O5S2/c9-1(10)3(13,14)5(17,18)7(21,22)30(25,26)29-31(27,28)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H",C8H2F16O5S2,,,,,,PKXOFTHSSGMAGM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.663,299-776-3,93904-38-2,"(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl cinnamate","(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-phenylacrylate",CC1(C)C2CC=C(COC(=O)\\C=C\\c3ccccc3)C1C2,CC1(C)C2CC=C(COC(=O)\C=C\c3ccccc3)C1C2,"InChI=1/C19H22O2/c1-19(2)16-10-9-15(17(19)12-16)13-21-18(20)11-8-14-6-4-3-5-7-14/h3-9,11,16-17H,10,12-13H2,1-2H3",C19H22O2,,,,,,JQKXXCDIJZYTEZ-DHZHZOJOSA-N,,,,,,,,,,,
100.090.670,299-784-7,93904-45-1,Sodium 2-[[3-[(8-acetamido-2-hydroxy-1-naphthyl)azo]-4-hydroxyphenyl]sulphonyl]ethyl sulphate,sodium 2-({3-[(8-acetamido-2-hydroxy-1-naphthyl)diazenyl]-4-hydroxyphenyl}sulfonyl)ethyl sulfate,[Na+].Oc3ccc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].Oc3ccc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C20H19N3O9S2.Na/c1-12(24)21-15-4-2-3-13-5-7-18(26)20(19(13)15)23-22-16-11-14(6-8-17(16)25)33(27,28)10-9-32-34(29,30)31;/h2-8,11,25-26H,9-10H2,1H3,(H,21,24)(H,29,30,31);/q;+1/p-1",C20H19N3O9S2.Na,,,,,,JLNGXBGSVRPDNM-UHFFFAOYSA-M,,,,,,,,,,,
100.066.705,273-397-3,68959-12-6,7-hydroxy-8-[(4-nitrophenyl)azo]naphthalene-2-sulphonic acid,7-hydroxy-8-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid,[O-][N+](=O)c1ccc(cc1)N=Nc2c3cc(ccc3ccc2O)S(O)(=O)=O,[O-][N+](=O)c1ccc(cc1)N=Nc2c3cc(ccc3ccc2O)S(O)(=O)=O,"InChI=1/C16H11N3O6S/c20-15-8-2-10-1-7-13(26(23,24)25)9-14(10)16(15)18-17-11-3-5-12(6-4-11)19(21)22/h1-9,20H,(H,23,24,25)",C16H11N3O6S,,,,,,RJQPSYFFJOLUPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.707,273-399-4,68959-15-9,"Citric acid, sodium titanium salt",sodium titanium(2+) citrate,[Na+].[Ti+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Na+].[Ti+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Na.Ti/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+1;+2/p-3",C6H8O7.xNa.xTi,,,,,,SDDXLPCMFAURJG-UHFFFAOYSA-K,,,,,,,,,,,
100.066.710,273-402-9,68959-19-3,"Sodium 2-[[[2,5-dichloro-4-[(2-methyl-1H-indol-3-yl)azo]phenyl]sulphonyl]amino]ethanesulphonate","sodium 2-[({2,5-dichloro-4-[(2-methyl-1H-indol-3-yl)diazenyl]phenyl}sulfonyl)amino]ethanesulfonate",[Na+].[O-]S(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c3ccccc3nc2C,[Na+].[O-]S(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c3ccccc3nc2C,"InChI=1/C17H16Cl2N4O5S2.Na/c1-10-17(11-4-2-3-5-14(11)21-10)23-22-15-8-13(19)16(9-12(15)18)30(27,28)20-6-7-29(24,25)26;/h2-5,8-9,20-21H,6-7H2,1H3,(H,24,25,26);/q;+1/p-1",C17H16Cl2N4O5S2.Na,,,,,,DFHVDLZDWDDGFQ-UHFFFAOYSA-M,,,,,,,,,,,
100.066.730,273-424-9,68966-31-4,"4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline monohydrochloride","4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline hydrochloride",Cl.Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(Nc4ccccc4)cc3,Cl.Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(Nc4ccccc4)cc3,"InChI=1/C25H21N3.ClH/c26-21-12-6-18(7-13-21)25(19-8-14-22(27)15-9-19)20-10-16-24(17-11-20)28-23-4-2-1-3-5-23;/h1-17,26,28H,27H2;1H",C25H21N3.ClH,,,,,,NUCNXESKEGPERK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.735,273-430-1,68966-40-5,"2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl dioleate","2,2-bis[(stearoyloxy)methyl]propane-1,3-diyl bisoctadec-9-enoate",CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\\C=C/CCCCCCCC)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C77H144O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-34,37-38H,5-32,35-36,39-72H2,1-4H3",C77H144O8,,,,,,JWIGOZQHOZXYPI-ZHTVLWRQSA-N,,,,,,,,,,,
100.066.737,273-432-2,68966-42-7,"2-hexyl-4,5-dihydro-1H-imidazole-1-ethanol","2-(2-hexyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCCCC1=NCCN1CCO,CCCCCCC1=NCCN1CCO,"InChI=1/C11H22N2O/c1-2-3-4-5-6-11-12-7-8-13(11)9-10-14/h14H,2-10H2,1H3",C11H22N2O,,,,,,WXHNLQJZJOWHJB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.190,273-929-4,69227-94-7,2-dodec-11-enyloxirane,2-dodec-11-en-1-yloxirane,C=CCCCCCCCCCCC1CO1,C=CCCCCCCCCCCC1CO1,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h2,14H,1,3-13H2",C14H26O,,,,,,GPOAUVOYIHAVKA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.193,273-933-6,69239-37-8,"Nonyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate","nonyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dien-1-oate",CCCCCCCCCCCCCCOC(=O)\\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\\C=C/C(=O)OCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)\C=C/C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)\C=C/C(=O)OCCCCCCCCC,"InChI=1/C18H32O4.C13H22O4.2C8H17.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-2-3-4-5-6-7-8-11-17-13(16)10-9-12(14)15;2*1-3-5-7-8-6-4-2;/h14-15H,2-13,16H2,1H3,(H,19,20);9-10H,2-8,11H2,1H3,(H,14,15);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC47H86O8Sn/c1-5-9-13-17-21-22-23-24-25-27-29-33-41-53-45(49)37-39-47(51)55-56(42-34-30-19-15-11-7-3,43-35-31-20-16-12-8-4)54-46(50)38-36-44(48)52-40-32-28-26-18-14-10-6-2/h36-39H,5-35,40-43H2,1-4H3",C42H76O8Sn,,,,,,XDOIGUGPYXEOBO-VMXYBJDNSA-L,,,,,,,,,,,
100.067.200,273-940-4,69268-83-3,Ethylbis(2-hydroxyethyl)oleylammonium ethyl sulphate,"N-ethyl-N,N-bis(2-hydroxyethyl)octadec-9-en-1-aminium ethyl sulfate",CCCCCCCC\\C=C/CCCCCCCC[N+](CC)(CCO)CCO.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC[N+](CC)(CCO)CCO.CCOS(=O)(=O)[O-],"InChI=1/C24H50NO2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2,21-23-26)22-24-27;1-2-6-7(3,4)5/h11-12,26-27H,3-10,13-24H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C24H50NO2.C2H5O4S,,,,,,QROMHTHYZARCNY-AFEZEDKISA-M,,,,,,,,,,,
100.067.214,273-956-1,69286-10-8,Diethylmethylpropylammonium bromide,"N,N-diethyl-N-methylpropan-1-aminium bromide",[Br-].CCC[N+](C)(CC)CC,[Br-].CCC[N+](C)(CC)CC,"InChI=1/C8H20N.BrH/c1-5-8-9(4,6-2)7-3;/h5-8H2,1-4H3;1H/q+1;/p-1",C8H20N.Br,,,,,,IJJXIIFMAVRCIW-UHFFFAOYSA-M,,,,,,,,,,,
100.067.223,273-966-6,69319-47-7,[3-(2-bicyclo[2.2.1]hept-2-ylphenoxy)-2-hydroxypropyl]isopropylammonium chloride,3-(2-bicyclo[2.2.1]hept-2-ylphenoxy)-2-hydroxy-N-isopropylpropan-1-aminium chloride,[Cl-].CC(C)[NH2+]CC(O)COc1ccccc1C2CC3CCC2C3,[Cl-].CC(C)[NH2+]CC(O)COc1ccccc1C2CC3CCC2C3,"InChI=1/C19H29NO2.ClH/c1-13(2)20-11-16(21)12-22-19-6-4-3-5-17(19)18-10-14-7-8-15(18)9-14;/h3-6,13-16,18,20-21H,7-12H2,1-2H3;1H",C19H29NO2.ClH,,,,,,FTPYPDLGVVMWFU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.033,284-767-9,84962-69-6,"Octahydro-4,7-methano-1H-inden-5-yl isobutyrate","octahydro-1H-4,7-methanoinden-5-yl 2-methylpropanoate",CC(C)C(=O)OC1CC2CC1C3CCCC23,CC(C)C(=O)OC1CC2CC1C3CCCC23,"InChI=1/C14H22O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h8-13H,3-7H2,1-2H3",C14H22O2,,,,,,AOQXHDOGCZXFEV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.036,284-771-0,84962-72-1,Methyl hydrogen decylphosphonate,methyl hydrogen decylphosphonate,CCCCCCCCCCP(=O)(O)OC,CCCCCCCCCCP(=O)(O)OC,"InChI=1/C11H25O3P/c1-3-4-5-6-7-8-9-10-11-15(12,13)14-2/h3-11H2,1-2H3,(H,12,13)",C11H25O3P,,,,,,ZVWRYPIZPBSYJG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.041,284-776-8,84962-77-6,"2,2'-thiodiethyl dipropionate","sulfanediyldiethane-2,1-diyl dipropanoate",CCC(=O)OCCSCCOC(=O)CC,CCC(=O)OCCSCCOC(=O)CC,"InChI=1/C10H18O4S/c1-3-9(11)13-5-7-15-8-6-14-10(12)4-2/h3-8H2,1-2H3",C10H18O4S,,,,,,PSJOZGLQCCCTQF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.047,284-783-6,84962-83-4,"Diethyl[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammonium sulphamate","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium sulfamate",CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.NS(=O)(=O)[O-],CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.NS(=O)(=O)[O-],"InChI=1/C27H33N2.H3NO3S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1",C27H33N2.H2NO3S,,,,,,CVXPAANEXGIEQV-UHFFFAOYSA-M,,,,,,,,,,,
100.077.050,284-786-2,84962-86-7,"[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydrogen succinate","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydrogen succinate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.[O-]C(=O)CCC(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.[O-]C(=O)CCC(=O)[O-],"InChI=1/C33H31N3.C4H6O4/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;5-3(6)1-2-4(7)8/h5-23H,1-4H3;1-2H2,(H,5,6)(H,7,8)/p-1",C33H32N3.C4H5O4,,,,,,XZMNEIWUMHCVIS-UHFFFAOYSA-M,,,,,,,,,,,
100.077.051,284-787-8,84962-87-8,"[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydrogen glutarate","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydrogen glutarate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.[O-]C(=O)CCCC(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.[O-]C(=O)CCCC(=O)[O-],"InChI=1/C33H31N3.C5H8O4/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;6-4(7)2-1-3-5(8)9/h5-23H,1-4H3;1-3H2,(H,6,7)(H,8,9)/p-1",C33H32N3.C5H7O4,,,,,,ZXOAAZZDTUUZLH-UHFFFAOYSA-M,,,,,,,,,,,
100.071.992,279-215-9,79665-28-4,"4-[(2,3-dichlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide","4-[(2,3-dichlorophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide",Clc4c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)cccc4Cl,Clc4c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)cccc4Cl,"InChI=1/C24H17Cl2N3O2/c1-14-7-2-5-11-19(14)27-24(31)17-13-15-8-3-4-9-16(15)22(23(17)30)29-28-20-12-6-10-18(25)21(20)26/h2-13,30H,1H3,(H,27,31)",C24H17Cl2N3O2,,,,,,CHFVOVBBQTXRGA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.995,279-219-0,79665-31-9,"4-[[4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4'-[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4-({1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-4'-{[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-2,2'-disulfonic acid",Cc5ccc(NC(=O)C(N=Nc1ccc(c(c1)S(O)(=O)=O)c2ccc(cc2S(O)(=O)=O)N=NC4C(\\C)=N/N(c3ccc(C)cc3)C4=O)C(C)=O)c(C)c5,Cc5ccc(NC(=O)C(N=Nc1ccc(c(c1)S(O)(=O)=O)c2ccc(cc2S(O)(=O)=O)N=NC4C(\C)=N/N(c3ccc(C)cc3)C4=O)C(C)=O)c(C)c5,"InChI=1/C35H33N7O9S2/c1-19-6-11-26(12-7-19)42-35(45)32(22(4)41-42)39-37-24-9-13-27(30(17-24)52(46,47)48)28-14-10-25(18-31(28)53(49,50)51)38-40-33(23(5)43)34(44)36-29-15-8-20(2)16-21(29)3/h6-18,32-33H,1-5H3,(H,36,44)(H,46,47,48)(H,49,50,51)",C35H33N7O9S2,,,,,,FQXQFQYHVJJUFP-UHFFFAOYSA-N,,,,,,,,,,,
100.071.996,279-220-6,79665-32-0,"4,4'-bis[[4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonic acid","4,4'-bis{[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-2,2'-disulfonic acid",Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S(O)(=O)=O)c3ccc(cc3S(O)(=O)=O)N=NC5C(\\C)=N/N(c4ccc(C)cc4)C5=O)C6=O,Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S(O)(=O)=O)c3ccc(cc3S(O)(=O)=O)N=NC5C(\C)=N/N(c4ccc(C)cc4)C5=O)C6=O,"InChI=1/C34H30N8O8S2/c1-19-5-11-25(12-6-19)41-33(43)31(21(3)39-41)37-35-23-9-15-27(29(17-23)51(45,46)47)28-16-10-24(18-30(28)52(48,49)50)36-38-32-22(4)40-42(34(32)44)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,45,46,47)(H,48,49,50)",C34H30N8O8S2,,,,,,AHKXUZPUGDMLKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.635,281-023-5,83846-47-3,"N2-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-asparagine, compound with piperidine (1:1)",N~2~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-asparagine - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O.C3CCNCC3,CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O.C3CCNCC3,"InChI=1/C16H19N3O5S.C5H11N/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20;1-2-4-6-5-3-1/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22);6H,1-5H2",C16H19N3O5S.C5H11N,,,,,,KUGNYFGDSOKESY-YDALLXLXSA-N,,,,,,,,,,,
100.063.601,269-982-8,68399-71-3,2-[(4-chloro-2-nitrophenyl)azo]-3-oxo-N-(o-tolyl)butyramide,2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxobutanamide,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccccc1C)cc2)[N+]([O-])=O,Clc2cc(c(N=NC(C(C)=O)C(=O)Nc1ccccc1C)cc2)[N+]([O-])=O,"InChI=1/C17H15ClN4O4/c1-10-5-3-4-6-13(10)19-17(24)16(11(2)23)21-20-14-8-7-12(18)9-15(14)22(25)26/h3-9,16H,1-2H3,(H,19,24)",C17H15ClN4O4,,,,,,LBFPUDOPAKZQRX-UHFFFAOYSA-N,,,,,,,,,,,
100.064.080,270-510-8,68443-33-4,Bis[4-(1-methyl-1-phenylethyl)phenyl] glutarate,bis[4-(1-methyl-1-phenylethyl)phenyl] glutarate,CC(C)(c1ccccc1)c2ccc(OC(=O)CCCC(=O)Oc3ccc(cc3)C(C)(C)c4ccccc4)cc2,CC(C)(c1ccccc1)c2ccc(OC(=O)CCCC(=O)Oc3ccc(cc3)C(C)(C)c4ccccc4)cc2,"InChI=1/C35H36O4/c1-34(2,26-12-7-5-8-13-26)28-18-22-30(23-19-28)38-32(36)16-11-17-33(37)39-31-24-20-29(21-25-31)35(3,4)27-14-9-6-10-15-27/h5-10,12-15,18-25H,11,16-17H2,1-4H3",C35H36O4,,,,,,ZZWYQFFAXIHVRM-UHFFFAOYSA-N,,,,,,,,,,,
100.065.364,271-922-0,68630-89-7,Potassium 6-carboxy-4-hexylcyclohex-2-ene-1-octanoate,potassium 8-(6-carboxy-4-hexylcyclohex-2-en-1-yl)octanoate,[K+].CCCCCCC1CC(C(CCCCCCCC(=O)[O-])C=C1)C(=O)O,[K+].CCCCCCC1CC(C(CCCCCCCC(=O)[O-])C=C1)C(=O)O,"InChI=1/C21H36O4.K/c1-2-3-4-8-11-17-14-15-18(19(16-17)21(24)25)12-9-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1",C21H36O4.K,,,,,,NHPWFESLAMBYTE-UHFFFAOYSA-M,,,,,,,,,,,
100.065.369,271-927-8,68630-94-4,Dimethyl N-octadecyl-L-aspartate,dimethyl N-octadecyl-L-aspartate,CCCCCCCCCCCCCCCCCCN[C@@H](CC(=O)OC)C(=O)OC,CCCCCCCCCCCCCCCCCCN[C@@H](CC(=O)OC)C(=O)OC,"InChI=1/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(24(27)29-3)21-23(26)28-2/h22,25H,4-21H2,1-3H3",C24H47NO4,,,,,,GMXCEYLGVZDMKZ-QFIPXVFZSA-N,,,,,,,,,,,
100.065.374,271-933-0,68631-05-0,Trichloro(2-cyanoethyl)germane,3-(trichlorogermyl)propanenitrile,Cl[Ge](Cl)(Cl)CCC#N,Cl[Ge](Cl)(Cl)CCC#N,"InChI=1/C3H4Cl3GeN/c4-7(5,6)2-1-3-8/h1-2H2",C3H4Cl3GeN,,,,,,VXZCIDLVEYVOOX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.773,276-774-0,72707-66-5,2-(bromomethyl)propenoic acid,2-(bromomethyl)acrylic acid,OC(=O)C(=C)CBr,OC(=O)C(=C)CBr,"InChI=1/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)",C4H5BrO2,,,,,,NOOYFQLPKUQDNE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.781,276-782-4,72717-05-6,2-[[2-[(2-furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-4-one,2-({2-[(2-furylmethyl)sulfanyl]ethyl}amino)-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-4(1H)-one,Cc1ccc(CC2=CNC(=NC2=O)NCCSCc3occc3)cn1,Cc1ccc(CC2=CNC(=NC2=O)NCCSCc3occc3)cn1,"InChI=1/C18H20N4O2S/c1-13-4-5-14(10-20-13)9-15-11-21-18(22-17(15)23)19-6-8-25-12-16-3-2-7-24-16/h2-5,7,10-11H,6,8-9,12H2,1H3,(H2,19,21,22,23)",C18H20N4O2S,,,,,,NLSZIIMWVUOOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.786,276-788-7,72727-55-0,2-methylpropyl 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylate,isobutyl 1-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carboxylate,CC(C)COC(=O)C1(C)CCC(=CC1)CCC=C(C)C,CC(C)COC(=O)C1(C)CCC(=CC1)CCC=C(C)C,"InChI=1/C18H30O2/c1-14(2)7-6-8-16-9-11-18(5,12-10-16)17(19)20-13-15(3)4/h7,9,15H,6,8,10-13H2,1-5H3",C18H30O2,,,,,,CBAABHLYEHHMIM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.790,276-792-9,72727-60-7,"a,ß,ß-trimethylcyclohexanepropanol","4-cyclohexyl-3,3-dimethylbutan-2-ol",CC(O)C(C)(C)CC1CCCCC1,CC(O)C(C)(C)CC1CCCCC1,"InChI=1/C12H24O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h10-11,13H,4-9H2,1-3H3",C12H24O,,,,,,OUINQRJSUSXKFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.793,276-796-0,72727-63-0,Phenethyl undec-10-enoate,2-phenylethyl undec-10-enoate,C=CCCCCCCCCC(=O)OCCc1ccccc1,C=CCCCCCCCCC(=O)OCCc1ccccc1,"InChI=1/C19H28O2/c1-2-3-4-5-6-7-8-12-15-19(20)21-17-16-18-13-10-9-11-14-18/h2,9-11,13-14H,1,3-8,12,15-17H2",C19H28O2,,,,,,BXLGKICTKQVKQF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.799,276-802-1,72727-69-6,"[(2,4-dibromo-5-methylphenoxy)methyl]oxirane","2-[(2,4-dibromo-5-methylphenoxy)methyl]oxirane",Cc1cc(OCC2CO2)c(Br)cc1Br,Cc1cc(OCC2CO2)c(Br)cc1Br,"InChI=1/C10H10Br2O2/c1-6-2-10(9(12)3-8(6)11)14-5-7-4-13-7/h2-3,7H,4-5H2,1H3",C10H10Br2O2,,,,,,ZBJLKYJROIWGKA-UHFFFAOYSA-N,,,,,,,,,,,
100.069.801,276-804-2,72727-71-0,"Butyl 3-hydroxy-3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate","butyl 3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate",C\\C1=C\\CCC(C)(C)C1C=CC(C)(O)CC(=O)OCCCC,C\C1=C\CCC(C)(C)C1C=CC(C)(O)CC(=O)OCCCC,"InChI=1/C19H32O3/c1-6-7-13-22-17(20)14-19(5,21)12-10-16-15(2)9-8-11-18(16,3)4/h9-10,12,16,21H,6-8,11,13-14H2,1-5H3",C19H32O3,,,,,,QRQVLSMUEPAWSS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.615,269-998-5,68399-90-6,"1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[(4-sulphophenyl)azo]phenyl]amino]anthracene-2-sulphonic acid","1-amino-9,10-dioxo-4-({4-[(4-sulfophenyl)diazenyl]phenyl}amino)-9,10-dihydroanthracene-2-sulfonic acid",OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S(O)(=O)=O,"InChI=1/C26H18N4O8S2/c27-24-21(40(36,37)38)13-20(22-23(24)26(32)19-4-2-1-3-18(19)25(22)31)28-14-5-7-15(8-6-14)29-30-16-9-11-17(12-10-16)39(33,34)35/h1-13,28H,27H2,(H,33,34,35)(H,36,37,38)",C26H18N4O8S2,,,,,,XXTYDIGKTZNAIK-UHFFFAOYSA-N,,,,,,,,,,,
100.065.141,271-676-4,68603-84-9,"Carboxylic acids, C5-9",octanoic acid,CCCCCCCC(=O)O,CCCCCCCC(=O)O,"InChI=1/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",-,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7236,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.141,WWZKQHOCKIZLMA-UHFFFAOYSA-N,,,,,,,,,,,
100.090.242,299-314-0,93858-80-1,"2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid","2-({4-chloro-6-[(3-{[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-5-sulfobenzoic acid",OS(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(cc4)S(O)(=O)=O)c(c5)C(O)=O,OS(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(cc4)S(O)(=O)=O)c(c5)C(O)=O,"InChI=1/C26H18Cl3N9O12S3/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34)",C26H18Cl3N9O12S3,,,,,,NWKBXGLAOFKAAB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.875,301-108-3,93981-25-0,"2,6-bis[(1-oxohexyl)amino]hexanamide","N~2~,N~6~-dihexanoyllysinamide",CCCCCC(=O)NCCCCC(NC(=O)CCCCC)C(=O)N,CCCCCC(=O)NCCCCC(NC(=O)CCCCC)C(=O)N,"InChI=1/C18H35N3O3/c1-3-5-7-12-16(22)20-14-10-9-11-15(18(19)24)21-17(23)13-8-6-4-2/h15H,3-14H2,1-2H3,(H2,19,24)(H,20,22)(H,21,23)",C18H35N3O3,,,,,,KSSYXNYJPHPNLU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.681,299-796-2,93904-57-5,"1-(3,5,5-trimethyl-3-cyclohexen-1-yl)ethan-1-one","1-(3,5,5-trimethylcyclohex-3-en-1-yl)ethanone",CC(=O)C1CC(=CC(C)(C)C1)C,CC(=O)C1CC(=CC(C)(C)C1)C,"InChI=1/C11H18O/c1-8-5-10(9(2)12)7-11(3,4)6-8/h6,10H,5,7H2,1-4H3",C11H18O,,,,,,LRDNMLFVQONIOF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.684,299-799-9,93904-60-0,"(4aa,7ß,8aa)-3,4,4a,7,8,8a-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran","3,3,6,7-tetramethyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene",CC1C[C@@H]2COC(C)(C)C[C@@H]2C=C1C,CC1C[C@@H]2COC(C)(C)C[C@@H]2C=C1C,"InChI=1/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h5,10-12H,6-8H2,1-4H3",C13H22O,,,,,,HIHXXYCXFIAFGQ-GLXQMMQGSA-N,,,,,,,,,,,
100.090.693,299-809-1,93904-71-3,2-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]icosenoic acid,2-[2-(diisobutylamino)-2-oxoethyl]icos-2-enoic acid,CC(C)CN(CC(C)C)C(=O)CC(=CCCCCCCCCCCCCCCCCC)C(O)=O,CC(C)CN(CC(C)C)C(=O)CC(=CCCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1/C30H57NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(30(33)34)23-29(32)31(24-26(2)3)25-27(4)5/h22,26-27H,6-21,23-25H2,1-5H3,(H,33,34)",C30H57NO3,,,,,,VLLQQBHSUBVQDI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.700,299-817-5,93904-83-7,Ethyl methyl-1-oxaspiro[2.5]octane-2-carboxylate,ethyl 2-methyl-1-oxaspiro[2.5]octane-2-carboxylate,CCOC(=O)C1(C)OC12CCCCC2,CCOC(=O)C1(C)OC12CCCCC2,"InChI=1/C11H18O3/c1-3-13-9(12)10(2)11(14-10)7-5-4-6-8-11/h3-8H2,1-2H3",C11H18O3,,,,,,DTSQPPVGQIJERI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.701,299-818-0,93904-84-8,(hexyloxy)methylpyrazine,2-[(hexyloxy)methyl]pyrazine,CCCCCCOCc1cnccn1,CCCCCCOCc1cnccn1,"InChI=1/C11H18N2O/c1-2-3-4-5-8-14-10-11-9-12-6-7-13-11/h6-7,9H,2-5,8,10H2,1H3",C11H18N2O,,,,,,ZSILTVKCSQSZEU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.707,299-824-3,93904-90-6,4-[(4-chloro-2-methylphenyl)azo]-N-(dimethylphenyl)-3-hydroxynaphthalene-2-carboxamide,"4-[(4-chloro-2-methylphenyl)diazenyl]-N-(2,3-dimethylphenyl)-3-hydroxy-2-naphthamide",Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1cccc(C)c1C)c2O)cc4,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1cccc(C)c1C)c2O)cc4,"InChI=1/C26H22ClN3O2/c1-15-7-6-10-23(17(15)3)28-26(32)21-14-18-8-4-5-9-20(18)24(25(21)31)30-29-22-12-11-19(27)13-16(22)2/h4-14,31H,1-3H3,(H,28,32)",C26H22ClN3O2,,,,,,MPUHUEDCHKWURA-UHFFFAOYSA-N,,,,,,,,,,,
100.090.710,299-828-5,93904-93-9,Dodecyl-1-naphthol,2-dodecyl-1-naphthol,CCCCCCCCCCCCc1ccc2ccccc2c1O,CCCCCCCCCCCCc1ccc2ccccc2c1O,"InChI=1/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-15-20-18-17-19-14-12-13-16-21(19)22(20)23/h12-14,16-18,23H,2-11,15H2,1H3",C22H32O,,,,,,URVHSUKDZZAPTI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.906,301-142-9,93981-56-7,"5-oxo-L-proline, compound with (9S)-10,11-dihydro-6'-methoxycinchonan-9-ol (1:1)","5-oxo-L-proline - 6'-methoxy-10,11-dihydrocinchonan-9-ol (1:1)",CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.OC(=O)[C@@H]5CCC(=O)N5,CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C20H26N2O2.C5H7NO3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-4-2-1-3(6-4)5(8)9/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C20H26N2O2.C5H7NO3,,,,,,NCNGEXPBYJDASD-ZONZYVCESA-N,,,,,,,,,,,
100.091.907,301-143-4,93981-57-8,ß-hydroxy-p-methoxyphenethylammonium acetate,2-hydroxy-2-(4-methoxyphenyl)ethanaminium acetate,COc1ccc(cc1)C(O)C[NH3+].CC(=O)[O-],COc1ccc(cc1)C(O)C[NH3+].CC(=O)[O-],"InChI=1/C9H13NO2.C2H4O2/c1-12-8-4-2-7(3-5-8)9(11)6-10;1-2(3)4/h2-5,9,11H,6,10H2,1H3;1H3,(H,3,4)",C9H13NO2.C2H4O2,,,,,,CNYMZANKMVCEOK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.927,301-165-4,93981-78-3,[3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyl](2-hydroxyethyl)dimethylammonium chloride,"3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-N-(2-hydroxyethyl)-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCN(CC)c1ccc(\\C=C(/C#N)\\C(=O)OCCC[N+](C)(C)CCO)cc1,[Cl-].CCN(CC)c1ccc(\C=C(/C#N)\C(=O)OCCC[N+](C)(C)CCO)cc1,"InChI=1/C21H32N3O3.ClH/c1-5-23(6-2)20-10-8-18(9-11-20)16-19(17-22)21(26)27-15-7-12-24(3,4)13-14-25;/h8-11,16,25H,5-7,12-15H2,1-4H3;1H/q+1;/p-1",C21H32N3O3.Cl,,,,,,AXTWRHHHMPIWSA-PXMDEAMVSA-M,,,,,,,,,,,
100.091.928,301-167-5,93981-79-4,[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl](3-hydroxypropyl)dimethylammonium chloride,"N-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-3-hydroxy-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCN(CC)c1ccc(\\C=C(/C#N)\\C(=O)OCC[N+](C)(C)CCCO)cc1,[Cl-].CCN(CC)c1ccc(\C=C(/C#N)\C(=O)OCC[N+](C)(C)CCCO)cc1,"InChI=1/C21H32N3O3.ClH/c1-5-23(6-2)20-10-8-18(9-11-20)16-19(17-22)21(26)27-15-13-24(3,4)12-7-14-25;/h8-11,16,25H,5-7,12-15H2,1-4H3;1H/q+1;/p-1",C21H32N3O3.Cl,,,,,,UISIXEXWWCLKSZ-PXMDEAMVSA-M,,,,,,,,,,,
100.067.229,273-972-9,69343-73-3,"3-methyl-2-(3-methylbut-2-enyl)butane-1,3-diol","3-methyl-2-(3-methylbut-2-en-1-yl)butane-1,3-diol",CC(=CCC(CO)C(C)(C)O)C,CC(=CCC(CO)C(C)(C)O)C,"InChI=1/C10H20O2/c1-8(2)5-6-9(7-11)10(3,4)12/h5,9,11-12H,6-7H2,1-4H3",C10H20O2,,,,,,QMOAXOFWWFUAKB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.622,275-508-0,71477-17-3,(decyloxy)methanediol,(decyloxy)methanediol,CCCCCCCCCCOC(O)O,CCCCCCCCCCOC(O)O,"InChI=1/C11H24O3/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h11-13H,2-10H2,1H3",C11H24O3,,,,,,FDWNORQBNLVBQI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.624,275-510-1,71477-20-8,"Pyridine-2,3-diamine dihydrochloride","pyridine-2,3-diamine dihydrochloride",Cl.Cl.Nc1cccnc1N,Cl.Cl.Nc1cccnc1N,"InChI=1/C5H7N3.2ClH/c6-4-2-1-3-8-5(4)7;;/h1-3H,6H2,(H2,7,8);2*1H",C5H7N3.2ClH,,,,,,MEKKCDZXQANIPF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.627,270-011-5,68400-08-8,[3-[(2-aminoethyl)amino]propyl]silanetriol,{3-[(2-aminoethyl)amino]propyl}silanetriol,NCCNCCC[Si](O)(O)O,NCCNCCC[Si](O)(O)O,"InChI=1/C5H16N2O3Si/c6-2-4-7-3-1-5-11(8,9)10/h7-10H,1-6H2",C5H16N2O3Si,,,,,,QNHNSPNFZFBEQR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.635,270-019-9,68400-30-6,"5-[[4-[[7-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-3-hydroxy-1-sulpho-2-naphthyl]azo]-3-methoxy-7-sulpho-1-naphthyl]azo]salicylic acid","2-hydroxy-5-{[4-({3-hydroxy-7-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-sulfo-2-naphthyl}diazenyl)-3-methoxy-7-sulfo-1-naphthyl]diazenyl}benzoic acid",OC(=O)c1cc(ccc1O)N=Nc7cc(OC)c(N=Nc2c(c3cc(ccc3cc2O)N5/N=C(/C)C(N=Nc4ccccc4)C5=O)S(O)(=O)=O)c6ccc(cc67)S(O)(=O)=O,OC(=O)c1cc(ccc1O)N=Nc7cc(OC)c(N=Nc2c(c3cc(ccc3cc2O)N5/N=C(/C)C(N=Nc4ccccc4)C5=O)S(O)(=O)=O)c6ccc(cc67)S(O)(=O)=O,"InChI=1/C38H28N8O12S2/c1-19-33(42-39-21-6-4-3-5-7-21)37(49)46(45-19)23-10-8-20-14-31(48)35(36(26(20)16-23)60(55,56)57)44-43-34-25-12-11-24(59(52,53)54)17-27(25)29(18-32(34)58-2)41-40-22-9-13-30(47)28(15-22)38(50)51/h3-18,33,47-48H,1-2H3,(H,50,51)(H,52,53,54)(H,55,56,57)",C38H28N8O12S2,,,,,,QOUZHYIOPHRTJE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.638,270-023-0,68400-34-0,Sodium [[4-[(4-hydroxyphenyl)azo]-5-methoxy-2-methylphenyl]azo]-4-benzenesulphonate,sodium 4-({4-[(4-hydroxyphenyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)benzenesulfonate,[Na+].COc3cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(O)cc2,[Na+].COc3cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(O)cc2,"InChI=1/C20H18N4O5S.Na/c1-13-11-19(24-22-14-3-7-16(25)8-4-14)20(29-2)12-18(13)23-21-15-5-9-17(10-6-15)30(26,27)28;/h3-12,25H,1-2H3,(H,26,27,28);/q;+1/p-1",C20H18N4O5S.Na,,,,,,SWGDCCBVZPMYRH-UHFFFAOYSA-M,,,,,,,,,,,
100.063.642,270-027-2,68400-38-4,"Trisodium 7-[[4-[(4-aminophenyl)azo]phenyl]azo]naphthalene-1,3,5-trisulphonate","trisodium 7-({4-[(4-aminophenyl)diazenyl]phenyl}diazenyl)naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(cc1c4cc(cc1S([O-])(=O)=O)N=Nc3ccc(N=Nc2ccc(N)cc2)cc3)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(cc1c4cc(cc1S([O-])(=O)=O)N=Nc3ccc(N=Nc2ccc(N)cc2)cc3)S([O-])(=O)=O,"InChI=1/C22H17N5O9S3.3Na/c23-13-1-3-14(4-2-13)24-25-15-5-7-16(8-6-15)26-27-17-9-19-20(21(10-17)38(31,32)33)11-18(37(28,29)30)12-22(19)39(34,35)36;;;/h1-12H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3",C22H17N5O9S3.3Na,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10108,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.642,RERCKWQOVYFXFL-UHFFFAOYSA-K,,,,,,,,,,,
100.063.654,270-040-3,68400-51-1,1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one,1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one,CCc1ccc(cc1)C(=O)C(C)(C)O,CCc1ccc(cc1)C(=O)C(C)(C)O,"InChI=1/C12H16O2/c1-4-9-5-7-10(8-6-9)11(13)12(2,3)14/h5-8,14H,4H2,1-3H3",C12H16O2,,,,,,YLSLKOSQWMRRFG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.656,270-042-4,68400-53-3,2-hydroxy-2-methyl-7-phenylpentadecan-3-one,2-hydroxy-2-methyl-7-phenylpentadecan-3-one,CCCCCCCCC(CCCC(=O)C(C)(C)O)c1ccccc1,CCCCCCCCC(CCCC(=O)C(C)(C)O)c1ccccc1,"InChI=1/C22H36O2/c1-4-5-6-7-8-10-14-20(19-15-11-9-12-16-19)17-13-18-21(23)22(2,3)24/h9,11-12,15-16,20,24H,4-8,10,13-14,17-18H2,1-3H3",C22H36O2,,,,,,NRQOJDAHMFRJKC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.379,275-239-9,71172-70-8,Ethyl 4-propylpiperazine-1-carboxylate,ethyl 4-propylpiperazine-1-carboxylate,CCCN1CCN(CC1)C(=O)OCC,CCCN1CCN(CC1)C(=O)OCC,"InChI=1/C10H20N2O2/c1-3-5-11-6-8-12(9-7-11)10(13)14-4-2/h3-9H2,1-2H3",C10H20N2O2,,,,,,XAOKKTRGZIWQNP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.381,275-242-5,71172-79-7,"Cyclopropyl 2,4-xylyl ketone","cyclopropyl(2,4-dimethylphenyl)methanone",Cc1ccc(C(=O)C2CC2)c(C)c1,Cc1ccc(C(=O)C2CC2)c(C)c1,"InChI=1/C12H14O/c1-8-3-6-11(9(2)7-8)12(13)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3",C12H14O,,,,,,CENWGMGAFRZWTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.382,275-243-0,71172-82-2,"1,1',1''-[(1-ethoxy-1-propanyl-3-ylidene)tris(oxy)]tris[2-ethylhexane]","3,3',3''-[(3-ethoxypropane-1,1,3-triyl)tris(oxymethylene)]triheptane",CCCCC(CC)COC(CC(OCC(CC)CCCC)OCC(CC)CCCC)OCC,CCCCC(CC)COC(CC(OCC(CC)CCCC)OCC(CC)CCCC)OCC,"InChI=1/C29H60O4/c1-8-15-18-25(11-4)22-31-28(30-14-7)21-29(32-23-26(12-5)19-16-9-2)33-24-27(13-6)20-17-10-3/h25-29H,8-24H2,1-7H3",C29H60O4,,,,,,UKOCTAFEXAEZQE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.389,275-250-9,71173-72-3,[bis[4-(dimethylamino)phenyl]methyl]urea,1-{bis[4-(dimethylamino)phenyl]methyl}urea,CN(C)c1ccc(cc1)C(NC(=O)N)c2ccc(cc2)N(C)C,CN(C)c1ccc(cc1)C(NC(=O)N)c2ccc(cc2)N(C)C,"InChI=1/C18H24N4O/c1-21(2)15-9-5-13(6-10-15)17(20-18(19)23)14-7-11-16(12-8-14)22(3)4/h5-12,17H,1-4H3,(H3,19,20,23)",C18H24N4O,,,,,,FWSHXIWSIVMIHW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.636,281-024-0,83846-48-4,2-chloro-4-iodotoluene,2-chloro-4-iodo-1-methylbenzene,Cc1ccc(I)cc1Cl,Cc1ccc(I)cc1Cl,"InChI=1/C7H6ClI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3",C7H6ClI,,,,,,PJYASWQMTNNSSL-UHFFFAOYSA-N,,,,,,,,,,,
100.073.642,281-030-3,83846-54-2,"Methyl 3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxylate","methyl 3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxylate",COC(=O)C1C2CC(C=C2)C1(C)C,COC(=O)C1C2CC(C=C2)C1(C)C,"InChI=1/C11H16O2/c1-11(2)8-5-4-7(6-8)9(11)10(12)13-3/h4-5,7-9H,6H2,1-3H3",C11H16O2,,,,,,RHEKEOGQJMGRFN-UHFFFAOYSA-N,,,,,,,,,,,
100.073.647,281-036-6,83846-59-7,2-[(4-bromophenyl)chloromethylene]butyraldehyde,2-[(4-bromophenyl)(chloro)methylene]butanal,ClC(c1ccc(Br)cc1)=C(C=O)CC,ClC(c1ccc(Br)cc1)=C(C=O)CC,"InChI=1/C11H10BrClO/c1-2-8(7-14)11(13)9-3-5-10(12)6-4-9/h3-7H,2H2,1H3",C11H10BrClO,,,,,,MFLLXFXIPFSAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.073.874,281-286-6,83913-07-9,"Tri[1,3,5-triazine-2,4,6-triamine] phosphate","1,3,5-triazine-2,4,6-triamine phosphate (3:1)",Nc1nc(N)nc(N)n1.OP(O)(=O)O.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1,Nc1nc(N)nc(N)n1.OP(O)(=O)O.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1,"InChI=1/3C3H6N6.H3O4P/c3*4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h3*(H6,4,5,6,7,8,9);(H3,1,2,3,4)",C3H6N6.1/3H3O4P,,,,,,VEEYNHRIWSTTFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.071.772,278-972-2,78697-25-3,(p-benzoylbenzyl)trimethylammonium chloride,"(4-benzoylphenyl)-N,N,N-trimethylmethanaminium chloride",[Cl-].C[N+](C)(C)Cc1ccc(cc1)C(=O)c2ccccc2,[Cl-].C[N+](C)(C)Cc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C17H20NO.ClH/c1-18(2,3)13-14-9-11-16(12-10-14)17(19)15-7-5-4-6-8-15;/h4-12H,13H2,1-3H3;1H/q+1;/p-1",C17H20NO.Cl,,,,,,UROHSXQUJQQUOO-UHFFFAOYSA-M,,,,,,,,,,,
100.071.774,278-974-3,78710-55-1,"3,5-dimethylbenzylamine","1-(3,5-dimethylphenyl)methanamine",Cc1cc(C)cc(CN)c1,Cc1cc(C)cc(CN)c1,"InChI=1/C9H13N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6,10H2,1-2H3",C9H13N,,,,,,DZBHNPJZCQWUCG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.787,278-989-5,78833-03-1,a-[2-(diisopropylamino)ethyl]-a-isobutylpyridine-2-acetamide,2-[2-(diisopropylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide,CC(C)CC(CCN(C(C)C)C(C)C)(C(=O)N)c1ccccn1,CC(C)CC(CCN(C(C)C)C(C)C)(C(=O)N)c1ccccn1,"InChI=1/C19H33N3O/c1-14(2)13-19(18(20)23,17-9-7-8-11-21-17)10-12-22(15(3)4)16(5)6/h7-9,11,14-16H,10,12-13H2,1-6H3,(H2,20,23)",C19H33N3O,,,,,,ZZOZYGHXNQPIPS-UHFFFAOYSA-N,,,,,,,,,,,
100.071.791,278-993-7,78840-97-8,"Vinyl 3,3-dichloro-2,2,3-trifluoropropionate","vinyl 3,3-dichloro-2,2,3-trifluoropropanoate",FC(Cl)(Cl)C(F)(F)C(=O)OC=C,FC(Cl)(Cl)C(F)(F)C(=O)OC=C,"InChI=1/C5H3Cl2F3O2/c1-2-12-3(11)4(8,9)5(6,7)10/h2H,1H2",C5H3Cl2F3O2,,,,,,VSKVRMXJKAFPSG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.799,279-003-6,78902-47-3,"5-[5-(1,3-diethylhexahydro-2,4,6-trioxo-5-pyrimidinyl)penta-2,4-dienylidene]-1,3-diethylbarbituric acid, compound with triethylamine (1:1)","5,5'-penta-1,3-dien-1-yl-5-ylidenebis(1,3-diethylpyrimidine-2,4,6(1H,3H,5H)-trione) - N,N-diethylethanamine (1:1)",O=C2N(CC)C(=O)C(C=CC=C\\C=C1\\C(=O)N(CC)C(=O)N(CC)C1=O)C(=O)N2CC.CCN(CC)CC,O=C2N(CC)C(=O)C(C=CC=C\C=C1\C(=O)N(CC)C(=O)N(CC)C1=O)C(=O)N2CC.CCN(CC)CC,"InChI=1/C21H26N4O6.C6H15N/c1-5-22-16(26)14(17(27)23(6-2)20(22)30)12-10-9-11-13-15-18(28)24(7-3)21(31)25(8-4)19(15)29;1-4-7(5-2)6-3/h9-14H,5-8H2,1-4H3;4-6H2,1-3H3",C21H26N4O6.C6H15N,,,,,,YGVOYNPENKTITC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.801,279-005-7,78904-51-5,"2,2,3-trimethylcyclopent-3-enebutyronitrile","4-(2,2,3-trimethylcyclopent-3-en-1-yl)butanenitrile",CC1=CCC(CCCC#N)C1(C)C,CC1=CCC(CCCC#N)C1(C)C,"InChI=1/C12H19N/c1-10-7-8-11(12(10,2)3)6-4-5-9-13/h7,11H,4-6,8H2,1-3H3",C12H19N,,,,,,KYXOHLIIGUCRFA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.805,279-009-9,78940-05-3,"Dichloroanthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione","1,2-dichloroanthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15(16H)-trione",Clc1ccc2C(=O)c3ccc4c5ccc6C(=O)c7ccccc7C(=O)c6c5Nc8ccc(c2c1Cl)c3c48,Clc1ccc2C(=O)c3ccc4c5ccc6C(=O)c7ccccc7C(=O)c6c5Nc8ccc(c2c1Cl)c3c48,"InChI=1/C31H13Cl2NO3/c32-21-11-9-19-24(27(21)33)17-10-12-22-25-13(5-7-18(23(17)25)30(19)36)14-6-8-20-26(28(14)34-22)31(37)16-4-2-1-3-15(16)29(20)35/h1-12,34H",C31H13Cl2NO3,,,,,,NPNWBKWYTUEWPI-UHFFFAOYSA-N,,,,,,,,,,,
100.071.807,279-012-5,78946-84-6,"(11R*,15R*)-11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane","11,15-dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane",CC1CNCC(C)OCCOCCOCCO1,CC1CNCC(C)OCCOCCOCCO1,"InChI=1/C12H25NO4/c1-11-9-13-10-12(2)17-8-6-15-4-3-14-5-7-16-11/h11-13H,3-10H2,1-2H3",C12H25NO4,,,,,,HXTDELPHJPMEDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.061,284-798-8,84962-97-0,"N,N''-[(1,3-dimethoxy-1,3-dimethyldisiloxane-1,3-diyl)bis(2-methylpropane-3,1-diyl)]bis(ethylenediamine)","N~1~,N~1~'-[(1,3-dimethoxy-1,3-dimethyldisiloxane-1,3-diyl)bis(2-methylpropane-3,1-diyl)]diethane-1,2-diamine",CO[Si](C)(CC(C)CNCCN)O[Si](C)(CC(C)CNCCN)OC,CO[Si](C)(CC(C)CNCCN)O[Si](C)(CC(C)CNCCN)OC,"InChI=1/C16H42N4O3Si2/c1-15(11-19-9-7-17)13-24(5,21-3)23-25(6,22-4)14-16(2)12-20-10-8-18/h15-16,19-20H,7-14,17-18H2,1-6H3",C16H42N4O3Si2,,,,,,RCLQBSUUGYLAEP-UHFFFAOYSA-N,,,,,,,,,,,
100.066.943,273-658-1,68991-94-6,Magnesium 4-[3-[4-hydroxy-6-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl phosphate,"magnesium 4-[1-(4-hydroxy-2-isopropyl-6-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate",[Mg+2].CC(C)c1cc(c(C)cc1OP(=O)([O-])[O-])C2(OC(=O)c3ccccc23)c4c(C)cc(O)cc4C(C)C,[Mg+2].CC(C)c1cc(c(C)cc1OP(=O)([O-])[O-])C2(OC(=O)c3ccccc23)c4c(C)cc(O)cc4C(C)C,"InChI=1/C28H31O7P.Mg/c1-15(2)21-14-24(17(5)12-25(21)35-36(31,32)33)28(23-10-8-7-9-20(23)27(30)34-28)26-18(6)11-19(29)13-22(26)16(3)4;/h7-16,29H,1-6H3,(H2,31,32,33);/q;+2/p-2",C28H31O7P.xMg,,,,,,JDQICTSGSCVPKN-UHFFFAOYSA-L,,,,,,,,,,,
100.066.945,273-660-2,68991-96-8,"1,2,3,4,5,6,7,8-octahydro-5,5-dimethylnaphthalene-2-carbaldehyde","5,5-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehyde",CC1(C)CCCC2=C1CCC(C2)C=O,CC1(C)CCCC2=C1CCC(C2)C=O,"InChI=1/C13H20O/c1-13(2)7-3-4-11-8-10(9-14)5-6-12(11)13/h9-10H,3-8H2,1-2H3",C13H20O,,,,,,POLSEKWMVQFBBA-UHFFFAOYSA-N,,,,,,,,,,,
100.069.815,276-819-4,72749-84-9,"Tetrasodium 5-(benzoylamino)-3-[[4-[[4-(benzoylamino)-2-sulphonatophenyl]azo]-2-ethoxy-6-sulphonato-1-naphthyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","tetrasodium 5-(benzoylamino)-3-[(4-{[4-(benzoylamino)-2-sulfonatophenyl]diazenyl}-2-ethoxy-6-sulfonato-1-naphthyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc(NC(=O)c1ccccc1)ccc7N=Nc5cc(OCC)c(N=Nc4c(cc3cc(cc(NC(=O)c2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(cc56)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc(NC(=O)c1ccccc1)ccc7N=Nc5cc(OCC)c(N=Nc4c(cc3cc(cc(NC(=O)c2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(cc56)S([O-])(=O)=O,"InChI=1/C42H32N6O16S4.4Na/c1-2-64-34-22-32(46-45-31-16-13-26(19-35(31)67(58,59)60)43-41(50)23-9-5-3-6-10-23)30-20-27(65(52,53)54)14-15-29(30)38(34)47-48-39-36(68(61,62)63)18-25-17-28(66(55,56)57)21-33(37(25)40(39)49)44-42(51)24-11-7-4-8-12-24;;;;/h3-22,49H,2H2,1H3,(H,43,50)(H,44,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4",C42H32N6O16S4.4Na,,,,,,KRYUDSCWXSQLCB-UHFFFAOYSA-J,,,,,,,,,,,
100.069.816,276-821-5,72749-88-3,"Disodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate]",disodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O,[Na+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O,"InChI=1/C35H28N6O11S2.2Na/c1-51-27-9-5-3-7-25(27)38-40-31-29(53(45,46)47)17-19-15-21(11-13-23(19)33(31)42)36-35(44)37-22-12-14-24-20(16-22)18-30(54(48,49)50)32(34(24)43)41-39-26-8-4-6-10-28(26)52-2;;/h3-18,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C35H28N6O11S2.2Na,,,,,,NBPRQPSISCMFAO-UHFFFAOYSA-L,,,,,,,,,,,
100.069.818,276-823-6,72757-30-3,1-[3-[[2-(2-oxo-1-pyrrolidinyl)ethyl]amino]propyl]pyrrolidin-2-one,1-(3-{[2-(2-oxopyrrolidin-1-yl)ethyl]amino}propyl)pyrrolidin-2-one,O=C1CCCN1CCCNCCN2CCCC2=O,O=C1CCCN1CCCNCCN2CCCC2=O,"InChI=1/C13H23N3O2/c17-12-4-1-8-15(12)10-3-6-14-7-11-16-9-2-5-13(16)18/h14H,1-11H2",C13H23N3O2,,,,,,MUCSTYUPDPKVFF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.825,276-830-4,72785-08-1,3-[[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulphonyl]amino]propanesulphonic acid,3-{[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulfonyl]amino}propane-1-sulfonic acid,CN(C)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H19F17N2O5S2/c1-34(2)5-3-6-35(7-4-8-41(36,37)38)42(39,40)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h3-8H2,1-2H3,(H,36,37,38)",C16H19F17N2O5S2,,,,,,UUBYZMXGONPVTR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.830,276-836-7,72785-15-0,"7-methyl-1,4-dioxacycloheptadecane-5,17-dione","7-methyl-1,4-dioxacycloheptadecane-5,17-dione",CC1CCCCCCCCCC(=O)OCCOC(=O)C1,CC1CCCCCCCCCC(=O)OCCOC(=O)C1,"InChI=1/C16H28O4/c1-14-9-7-5-3-2-4-6-8-10-15(17)19-11-12-20-16(18)13-14/h14H,2-13H2,1H3",C16H28O4,,,,,,OQCIWLIZZWIBRK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.840,276-847-7,72797-16-1,2-ethoxy-3-isopropylpyrazine,2-ethoxy-3-isopropylpyrazine,CCOc1nccnc1C(C)C,CCOc1nccnc1C(C)C,"InChI=1/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3",C9H14N2O,,,,,,LTAUBPVQMBOANV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.193,271-734-9,68606-25-7,"Hydrocarbons, C2-4",2-methylprop-1-ene,CC(=C)C,CC(=C)C,"InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3",-,,,,,,VQTUBCCKSQIDNK-UHFFFAOYSA-N,,,,,,,,,,,
100.065.656,272-243-2,68784-39-4,"Propanenitrile, 3-(C8-10-alkyloxy) derivs.",3-(nonyloxy)propanenitrile,CCCCCCCCCOCCC#N,CCCCCCCCCOCCC#N,"InChI=1/C12H23NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-9,11-12H2,1H3",-,,,,,,AZDYBNAAPZWEMG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.930,301-169-6,93981-81-8,"1,3-dimethyl-3-phenylbutyl isobutyrate","1,3-dimethyl-3-phenylbutyl 2-methylpropanoate",CC(CC(C)(C)c1ccccc1)OC(=O)C(C)C,CC(CC(C)(C)c1ccccc1)OC(=O)C(C)C,"InChI=1/C16H24O2/c1-12(2)15(17)18-13(3)11-16(4,5)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3",C16H24O2,,,,,,SEVWLTKTZSJZRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.088.799,297-726-5,93762-12-0,"1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulphonamide","1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide",OCCN(CCO)S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OCCN(CCO)S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C8H10F9NO4S/c9-5(6(10,11)12,7(13,14)15)8(16,17)23(21,22)18(1-3-19)2-4-20/h19-20H,1-4H2",C8H10F9NO4S,,,,,,QSEWDLHUEPHPCY-UHFFFAOYSA-N,,,,,,,,,,,
100.088.805,297-732-8,93762-18-6,"(Z,Z)-(dimethyl)[3-[(1-oxo-9,12-octadecadienyl)amino]propyl][2-oxo-2-(tetradecyloxy)ethyl]ammonium chloride","N,N-dimethyl-3-(octadeca-9,12-dienoylamino)-N-[2-oxo-2-(tetradecyloxy)ethyl]propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCNC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,[Cl-].CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCNC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C39H74N2O3.ClH/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-33-38(42)40-34-32-35-41(3,4)37-39(43)44-36-31-29-27-25-23-18-16-14-12-10-8-6-2;/h13,15,19-20H,5-12,14,16-18,21-37H2,1-4H3;1H",C39H75N2O3.Cl,,,,,,SKQXCHHGBPQTNU-LKAVSLQTSA-N,,,,,,,,,,,
100.088.807,297-734-9,93762-21-1,"Sodium trihydrogen [[[3-(1,3-dimethylbutoxy)propyl]imino]bis(methylene)]bisphosphonate","sodium trihydrogen [{[3-(1,3-dimethylbutoxy)propyl]imino}bis(methylene)]bis(phosphonate)",[Na+].CC(C)CC(C)OCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].CC(C)CC(C)OCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C11H27NO7P2.Na/c1-10(2)7-11(3)19-6-4-5-12(8-20(13,14)15)9-21(16,17)18;/h10-11H,4-9H2,1-3H3,(H2,13,14,15)(H2,16,17,18);/q;+1/p-4",C11H27NO7P2.Na,,,,,,IIJRGBSRPWYALV-UHFFFAOYSA-J,,,,,,,,,,,
100.088.808,297-735-4,93762-22-2,"[[[3-(1,3-dimethylbutoxy)propyl]imino]bis(methylene)]bisphosphonic acid","[{[3-(1,3-dimethylbutoxy)propyl]imino}bis(methylene)]bis(phosphonic acid)",CC(C)CC(C)OCCCN(CP(=O)(O)O)CP(=O)(O)O,CC(C)CC(C)OCCCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C11H27NO7P2/c1-10(2)7-11(3)19-6-4-5-12(8-20(13,14)15)9-21(16,17)18/h10-11H,4-9H2,1-3H3,(H2,13,14,15)(H2,16,17,18)",C11H27NO7P2,,,,,,IFBFGDZOXAUWNR-UHFFFAOYSA-N,,,,,,,,,,,
100.088.817,297-745-9,93762-33-5,"Decahydro-1,4,8a,9-tetramethyl-1,6-methanonaphthalen-9-ol","2,4a,5,8-tetramethyldecahydro-1,6-methanonaphthalen-5-ol",C[C@H]2CC3CC1C(C)CCC(C)(C12)C3(C)O,C[C@H]2CC3CC1C(C)CCC(C)(C12)C3(C)O,"InChI=1/C15H26O/c1-9-5-6-14(3)13-10(2)7-11(8-12(9)13)15(14,4)16/h9-13,16H,5-8H2,1-4H3",C15H26O,,,,,,KCFXUUKNLMVCNA-KKPFBDQLSA-N,,,,,,,,,,,
100.088.818,297-746-4,93762-34-6,"1,1-dimethyl-2-phenylethyl 2-butenoate","1,1-dimethyl-2-phenylethyl but-2-enoate",CC=CC(=O)OC(C)(C)Cc1ccccc1,CC=CC(=O)OC(C)(C)Cc1ccccc1,"InChI=1/C14H18O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h4-10H,11H2,1-3H3",C14H18O2,,,,,,OKLPIYCKVVLHCP-UHFFFAOYSA-N,,,,,,,,,,,
100.088.824,297-753-2,93762-40-4,Barium anthranilate (1:2),barium bis(2-aminobenzoate),[Ba].Nc1ccccc1C(=O)[O-].Nc2ccccc2C(=O)[O-],[Ba].Nc1ccccc1C(=O)[O-].Nc2ccccc2C(=O)[O-],"InChI=1/2C7H7NO2.Ba/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,8H2,(H,9,10);/q;;+2/p-2",C7H7NO2.1/2Ba,,,,,,DXTVJIIQTVLIMY-UHFFFAOYSA-L,,,,,,,,,,,
100.088.825,297-754-8,93762-41-5,Ethyl N-(2-sec-butyl-3-methyl-1-oxopentyl)glycinate,ethyl N-(2-sec-butyl-3-methylpentanoyl)glycinate,CCOC(=O)CNC(=O)C(C(C)CC)C(C)CC,CCOC(=O)CNC(=O)C(C(C)CC)C(C)CC,"InChI=1/C14H27NO3/c1-6-10(4)13(11(5)7-2)14(17)15-9-12(16)18-8-3/h10-11,13H,6-9H2,1-5H3,(H,15,17)",C14H27NO3,,,,,,AQVUPTVYWCWOKI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.711,299-829-0,93904-94-0,Cumenedisulphonic acid,"3-isopropylbenzene-1,2-disulfonic acid",CC(C)c1cccc(c1S(=O)(=O)O)S(=O)(=O)O,CC(C)c1cccc(c1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C9H12O6S2/c1-6(2)7-4-3-5-8(16(10,11)12)9(7)17(13,14)15/h3-6H,1-2H3,(H,10,11,12)(H,13,14,15)",C9H12O6S2,,,,,,NZDMEVRRRUTNMT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.712,299-830-6,93904-95-1,"Cumenesulphonic acid, compound with 2-aminoethanol (1:1)",2-isopropylbenzenesulfonic acid - 2-aminoethanol (1:1),CC(C)c1ccccc1S(=O)(=O)O.NCCO,CC(C)c1ccccc1S(=O)(=O)O.NCCO,"InChI=1/C9H12O3S.C2H7NO/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;3-1-2-4/h3-7H,1-2H3,(H,10,11,12);4H,1-3H2",C9H12O3S.C2H7NO,,,,,,ABCSYOJZMJGCOO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.729,299-848-4,93917-70-5,3-[bicyclo[2.2.1]hept-5-en-2-yl]-2-methylallyl alcohol,3-bicyclo[2.2.1]hept-5-en-2-yl-2-methylprop-2-en-1-ol,C\\C(=C/C1CC2CC1C=C2)\\CO,C\C(=C/C1CC2CC1C=C2)\CO,"InChI=1/C11H16O/c1-8(7-12)4-11-6-9-2-3-10(11)5-9/h2-4,9-12H,5-7H2,1H3",C11H16O,,,,,,OXLZQBOSZATWEA-XBXARRHUSA-N,,,,,,,,,,,
100.090.731,299-851-0,93917-72-7,1-(2-cyclohexylethyl)cyclohexyl acetate,1-(2-cyclohexylethyl)cyclohexyl acetate,CC(=O)OC1(CCC2CCCCC2)CCCCC1,CC(=O)OC1(CCC2CCCCC2)CCCCC1,"InChI=1/C16H28O2/c1-14(17)18-16(11-6-3-7-12-16)13-10-15-8-4-2-5-9-15/h15H,2-13H2,1H3",C16H28O2,,,,,,ILQZWJOVDXUGHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.390,275-251-4,71173-79-0,5-[[[3-(fluorosulphonyl)phenyl]sulphonyl]amino]-1-hydroxynaphthalene-2-carbonyl chloride,5-({[3-(fluorosulfonyl)phenyl]sulfonyl}amino)-1-hydroxy-2-naphthoyl chloride,Oc1c(ccc2c(NS(=O)(=O)c3cccc(c3)S(=O)(=O)F)cccc12)C(=O)Cl,Oc1c(ccc2c(NS(=O)(=O)c3cccc(c3)S(=O)(=O)F)cccc12)C(=O)Cl,"InChI=1/C17H11ClFNO6S2/c18-17(22)14-8-7-12-13(16(14)21)5-2-6-15(12)20-28(25,26)11-4-1-3-10(9-11)27(19,23)24/h1-9,20-21H",C17H11ClFNO6S2,,,,,,CMXGBVKIUVFXRA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.391,275-253-5,71173-80-3,5-[[[3-(fluorosulphonyl)phenyl]sulphonyl]amino]-1-hydroxy-2-naphthoic acid,5-({[3-(fluorosulfonyl)phenyl]sulfonyl}amino)-1-hydroxy-2-naphthoic acid,OC(=O)c1ccc2c(NS(=O)(=O)c3cccc(c3)S(=O)(=O)F)cccc2c1O,OC(=O)c1ccc2c(NS(=O)(=O)c3cccc(c3)S(=O)(=O)F)cccc2c1O,"InChI=1/C17H12FNO7S2/c18-27(23,24)10-3-1-4-11(9-10)28(25,26)19-15-6-2-5-13-12(15)7-8-14(16(13)20)17(21)22/h1-9,19-20H,(H,21,22)",C17H12FNO7S2,,,,,,QWYNOJFRVSXWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.393,275-255-6,71176-55-1,"5-nitro-m-xylene-alpha,alpha'-diol","(5-nitro-1,3-phenylene)dimethanol",OCc1cc(CO)cc(c1)[N+](=O)[O-],OCc1cc(CO)cc(c1)[N+](=O)[O-],"InChI=1/C8H9NO4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3,10-11H,4-5H2",C8H9NO4,,,,,,FTLFITNFXXERLN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.397,275-259-8,71201-99-5,"2,2-diethylpent-4-enal","2,2-diethylpent-4-enal",CCC(CC)(CC=C)C=O,CCC(CC)(CC=C)C=O,"InChI=1/C9H16O/c1-4-7-9(5-2,6-3)8-10/h4,8H,1,5-7H2,2-3H3",C9H16O,,,,,,OSMBRCLJMASATQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.400,275-262-4,71208-55-4,Diethyl (6-chloro-9H-carbazol-2-yl)methylmalonate,diethyl (6-chloro-9H-carbazol-2-yl)(methyl)malonate,CCOC(=O)C(C)(C(=O)OCC)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,CCOC(=O)C(C)(C(=O)OCC)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,"InChI=1/C20H20ClNO4/c1-4-25-18(23)20(3,19(24)26-5-2)12-6-8-14-15-11-13(21)7-9-16(15)22-17(14)10-12/h6-11,22H,4-5H2,1-3H3",C20H20ClNO4,,,,,,VCWSZWDBRMAJJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.401,275-264-5,71209-67-1,3-chloro-3-(4-methylphenyl)methacrylaldehyde,3-chloro-2-methyl-3-(4-methylphenyl)acrylaldehyde,C\\C(=C(\\Cl)/c1ccc(C)cc1)\\C=O,C\C(=C(\Cl)/c1ccc(C)cc1)\C=O,"InChI=1/C11H11ClO/c1-8-3-5-10(6-4-8)11(12)9(2)7-13/h3-7H,1-2H3",C11H11ClO,,,,,,MLERDVFIFKHLCJ-LUAWRHEFSA-N,,,,,,,,,,,
100.068.406,275-269-2,71215-81-1,"5-amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulphonamide","5-amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulfonamide",Cc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)c(C)c1,Cc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)c(C)c1,"InChI=1/C14H15ClN2O2S/c1-9-3-6-13(10(2)7-9)17-20(18,19)14-8-11(16)4-5-12(14)15/h3-8,17H,16H2,1-2H3",C14H15ClN2O2S,,,,,,SOWYLSRVTBKKJE-UHFFFAOYSA-N,,,,,,,,,,,
100.067.240,273-984-4,69388-84-7,"Sodium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide","sodium 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide",[Na+].CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)[O-],[Na+].CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)[O-],"InChI=1/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1",C8H11NO5S.Na,,,,,,NKZMPZCWBSWAOX-IBTYICNHSA-M,,,,,,,,,,,
100.067.242,273-987-0,69399-79-7,3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride,3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride,Cc1onc(c1C(=O)Cl)c2c(F)cccc2Cl,Cc1onc(c1C(=O)Cl)c2c(F)cccc2Cl,"InChI=1/C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3",C11H6Cl2FNO2,,,,,,XJCUKCOLGJDGGN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.243,273-988-6,69399-95-7,Iron(3+) methacrylate,iron(3+) tris(2-methylacrylate),[Fe+3].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Fe+3].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/3C4H6O2.Fe/c3*1-3(2)4(5)6;/h3*1H2,2H3,(H,5,6);/q;;;+3/p-3",C4H6O2.1/3Fe,,,,,,RBURNKQMEAEGBB-UHFFFAOYSA-K,,,,,,,,,,,
100.067.245,273-990-7,69412-86-8,Sodium 2-[[4-(benzylethylamino)phenyl]azo]benzothiazole-5-sulphonate,"sodium 2-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-1,3-benzothiazole-5-sulfonate",[Na+].[O-]S(=O)(=O)c3cc4nc(N=Nc1ccc(cc1)N(Cc2ccccc2)CC)sc4cc3,[Na+].[O-]S(=O)(=O)c3cc4nc(N=Nc1ccc(cc1)N(Cc2ccccc2)CC)sc4cc3,"InChI=1/C22H20N4O3S2.Na/c1-2-26(15-16-6-4-3-5-7-16)18-10-8-17(9-11-18)24-25-22-23-20-14-19(31(27,28)29)12-13-21(20)30-22;/h3-14H,2,15H2,1H3,(H,27,28,29);/q;+1/p-1",C22H20N4O3S2.Na,,,,,,YNVNZXQPHCJERC-UHFFFAOYSA-M,,,,,,,,,,,
100.069.005,275-928-4,71735-17-6,2-methoxyphenyl thienyl ketone,(2-methoxyphenyl)(2-thienyl)methanone,COc1ccccc1C(=O)c2cccs2,COc1ccccc1C(=O)c2cccs2,"InChI=1/C12H10O2S/c1-14-10-6-3-2-5-9(10)12(13)11-7-4-8-15-11/h2-8H,1H3",C12H10O2S,,,,,,HBTWCIUCSZGWDX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.007,275-931-0,71735-19-8,"2-sec-butyl-4,6-dinitrophenol, compound with 1-aminopropan-2-ol (1:1)","1-aminopropan-2-ol - 2-sec-butyl-4,6-dinitrophenol (1:1)",CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-].CC(O)CN,CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-].CC(O)CN,"InChI=1/C10H12N2O5.C3H9NO/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;1-3(5)2-4/h4-6,13H,3H2,1-2H3;3,5H,2,4H2,1H3",C10H12N2O5.C3H9NO,,,,,,CLIBIKHWBFUNNU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.012,275-936-8,71735-24-5,1-[2-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]ethan-1-one,1-[2-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]ethanone,CC(=O)C1(CO)CC2CC1C=C2,CC(=O)C1(CO)CC2CC1C=C2,"InChI=1/C10H14O2/c1-7(12)10(6-11)5-8-2-3-9(10)4-8/h2-3,8-9,11H,4-6H2,1H3",C10H14O2,,,,,,SCVHSGMZAPHRIW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.062,284-799-3,84962-98-1,Sodium (3-(trihydroxysilyl)propyl)methyl phosphonate,sodium 4-(trihydroxysilyl)butyl phosphonate,[Na+].O[Si](O)(O)CCCCOP(=O)[O-],[Na+].O[Si](O)(O)CCCCOP(=O)[O-],"InChI=1/C4H13O6PSi.Na/c5-11(6)10-3-1-2-4-12(7,8)9;/h7-9,11H,1-4H2,(H,5,6);/q;+1/p-1",C4H13O6PSi.Na,,,,,,HOZYQQPDMQBLPU-UHFFFAOYSA-M,,,,,,,,,,,
100.077.069,284-807-5,84963-05-3,"4-[[(3-aminophenoxy)acetyl]amino]-5-hydroxynaphthalene-1,7-disulphonic acid","4-{[(3-aminophenoxy)acetyl]amino}-5-hydroxynaphthalene-1,7-disulfonic acid",Nc1cccc(OCC(=O)Nc2ccc(c3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O)c1,Nc1cccc(OCC(=O)Nc2ccc(c3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O)c1,"InChI=1/C18H16N2O9S2/c19-10-2-1-3-11(6-10)29-9-17(22)20-14-4-5-16(31(26,27)28)13-7-12(30(23,24)25)8-15(21)18(13)14/h1-8,21H,9,19H2,(H,20,22)(H,23,24,25)(H,26,27,28)",C18H16N2O9S2,,,,,,RIJWTBZRICUKGS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.088,284-827-4,84963-26-8,Methyl 7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate,methyl 7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate,COC(=O)C1CC2CC(C(C)C)C1C=C2C,COC(=O)C1CC2CC(C(C)C)C1C=C2C,"InChI=1/C14H22O2/c1-8(2)11-6-10-7-13(14(15)16-4)12(11)5-9(10)3/h5,8,10-13H,6-7H2,1-4H3",C14H22O2,,,,,,CLQTWLUCDIEEJG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.093,284-833-7,84963-31-5,7-isopropyl-5-methylbicyclo[2.2.2]octane-2-carbaldehyde,7-isopropyl-5-methylbicyclo[2.2.2]octane-2-carbaldehyde,CC(C)C1CC2CC(C=O)C1CC2C,CC(C)C1CC2CC(C=O)C1CC2C,"InChI=1/C13H22O/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h7-13H,4-6H2,1-3H3",C13H22O,,,,,,DFYLIPCZGDCPEB-UHFFFAOYSA-N,,,,,,,,,,,
100.073.658,281-048-1,83846-70-2,2-[2-[4-(diethylamino)phenyl]vinyl]-1-methylpyridinium iodide,2-{2-[4-(diethylamino)phenyl]vinyl}-1-methylpyridinium iodide,[I-].CCN(CC)c1ccc(\\C=C\\c2cccc[n+]2C)cc1,[I-].CCN(CC)c1ccc(\C=C\c2cccc[n+]2C)cc1,"InChI=1/C18H23N2.HI/c1-4-20(5-2)18-13-10-16(11-14-18)9-12-17-8-6-7-15-19(17)3;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1",C18H23N2.I,,,,,,LQPGRVLBLXGDIX-UHFFFAOYSA-M,,,,,,,,,,,
100.073.681,281-073-8,83846-93-9,"o-tolyl 4-diazo-3,4-dihydro-2-oxonaphthalene-1-sulphonate","2-methylphenyl 4-diazo-2-oxo-1,2,3,4-tetrahydronaphthalene-1-sulfonate",Cc1ccccc1OS(=O)(=O)C2C(=O)CC(=[N+]=[N-])c3ccccc23,Cc1ccccc1OS(=O)(=O)C2C(=O)CC(=[N+]=[N-])c3ccccc23,"InChI=1/C17H14N2O4S/c1-11-6-2-5-9-16(11)23-24(21,22)17-13-8-4-3-7-12(13)14(19-18)10-15(17)20/h2-9,17H,10H2,1H3",C17H12N2O4S,,,,,,ZHPMRCHJFYQJRH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.543,283-123-4,84540-31-8,"Disodium 8-hydroxy-7-[(4-nitrophenyl)azo]naphthalene-1,6-disulphonate","disodium 8-hydroxy-7-[(4-nitrophenyl)diazenyl]naphthalene-1,6-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc3c(cc2cccc(c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc3c(cc2cccc(c2c3O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H11N3O9S2.2Na/c20-16-14-9(2-1-3-12(14)29(23,24)25)8-13(30(26,27)28)15(16)18-17-10-4-6-11(7-5-10)19(21)22;;/h1-8,20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C16H11N3O9S2.2Na,,,,,,MQEWRJPFZHNHEF-UHFFFAOYSA-L,,,,,,,,,,,
100.075.549,283-130-2,84540-37-4,"trans-4-ethyl-4'-(4-propylcyclohexyl)-1,1'-biphenyl",4-ethyl-4'-(4-propylcyclohexyl)biphenyl,CCCC1CCC(CC1)c2ccc(cc2)c3ccc(CC)cc3,CCCC1CCC(CC1)c2ccc(cc2)c3ccc(CC)cc3,"InChI=1/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3",C23H30,,,,,,DOALOUQODWWGEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.550,283-131-8,84540-38-5,1H-indol-2-yl propionate,1H-indol-2-yl propionate,CCC(=O)Oc1cc2ccccc2[nH]1,CCC(=O)Oc1cc2ccccc2[nH]1,"InChI=1/C11H11NO2/c1-2-11(13)14-10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3",C11H11NO2,,,,,,DWBHSHDNGDFNFA-UHFFFAOYSA-N,,,,,,,,,,,
100.075.551,283-132-3,84540-39-6,"4-chlorobenzene-1,3-diamine sulphate (2:1)",-,Nc1ccc(Cl)c(N)c1.Nc2ccc(Cl)c(N)c2.[O-]S(=O)(=O)[O-],Nc1ccc(Cl)c(N)c1.Nc2ccc(Cl)c(N)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H7ClN2.H2O4S/c2*7-5-2-1-4(8)3-6(5)9;1-5(2,3)4/h2*1-3H,8-9H2;(H2,1,2,3,4)/p-2",C6H7ClN2.1/2H2O4S,,,,,,WMSFKDQCVNJFQF-UHFFFAOYSA-L,,,,,,,,,,,
100.075.564,283-147-5,84540-52-3,"5,7-dimethylindan-4-ol","5,7-dimethylindan-4-ol",Cc1cc(C)c2CCCc2c1O,Cc1cc(C)c2CCCc2c1O,"InChI=1/C11H14O/c1-7-6-8(2)11(12)10-5-3-4-9(7)10/h6,12H,3-5H2,1-2H3",C11H14O,,,,,,VTGAESTYJTVWSC-UHFFFAOYSA-N,,,,,,,,,,,
100.075.565,283-148-0,84540-53-4,(2-methyl-1-phenyl-1-butenyl)toluene,1-methyl-2-(2-methyl-1-phenylbut-1-en-1-yl)benzene,CC(CC)=C(c1ccccc1)c2ccccc2C,CC(CC)=C(c1ccccc1)c2ccccc2C,"InChI=1/C18H20/c1-4-14(2)18(16-11-6-5-7-12-16)17-13-9-8-10-15(17)3/h5-13H,4H2,1-3H3",C18H20,,,,,,BDLPZUMLJFQATO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.574,283-158-5,84540-63-6,Ammonium 2-methylpropanolate,ammonium 2-methylpropan-1-olate,[NH4+].CC(C)C[O-],[NH4+].CC(C)C[O-],"InChI=1/C4H9O.H3N/c1-4(2)3-5;/h4H,3H2,1-2H3;1H3/q-1;/p+1",C4H10O.H3N,,,,,,FNCUFEPNWRBJSS-UHFFFAOYSA-O,,,,,,,,,,,
100.075.575,283-159-0,84540-64-7,"Succinic acid, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)","2-amino-2-(hydroxymethyl)propane-1,3-diol succinate (salt)",NC(CO)(CO)CO.OC(=O)CCC(=O)O,NC(CO)(CO)CO.OC(=O)CCC(=O)O,"InChI=1/C4H11NO3.C4H6O4/c5-4(1-6,2-7)3-8;5-3(6)1-2-4(7)8/h6-8H,1-3,5H2;1-2H2,(H,5,6)(H,7,8)",C4H11NO3.C4H6O4,,,,,,NPUOAAGNARLFDN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.952,273-668-6,68992-03-0,"Pentasodium 2-[[1-amino-7-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-8-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","pentasodium 2-{[1-amino-7-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-8-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5ccc(c(N=Nc4c(cc3cc(c(N=Nc2ccc1c(cccc1c2S([O-])(=O)=O)S([O-])(=O)=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5ccc(c(N=Nc4c(cc3cc(c(N=Nc2ccc1c(cccc1c2S([O-])(=O)=O)S([O-])(=O)=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C29H19Cl2N9O16S5.5Na/c30-27-34-28(31)36-29(35-27)33-12-4-7-18(58(45,46)47)16(10-12)38-40-24-20(60(51,52)53)9-11-8-19(59(48,49)50)23(22(32)21(11)25(24)41)39-37-15-6-5-13-14(26(15)61(54,55)56)2-1-3-17(13)57(42,43)44;;;;;/h1-10,41H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,33,34,35,36);;;;;/q;5*+1/p-5",C29H19Cl2N9O16S5.5Na,,,,,,JPYJAZWZTPTROX-UHFFFAOYSA-I,,,,,,,,,,,
100.066.954,273-670-7,68992-08-5,"6,6-dimethoxy-2-methylhept-2-ene","6,6-dimethoxy-2-methylhept-2-ene",COC(C)(CCC=C(C)C)OC,COC(C)(CCC=C(C)C)OC,"InChI=1/C10H20O2/c1-9(2)7-6-8-10(3,11-4)12-5/h7H,6,8H2,1-5H3",C10H20O2,,,,,,GCBQWUQBDZJZLB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.852,276-860-8,72812-39-6,"Bis(4-amino-3,5-dimethylphenyl)(2,6-dichlorophenyl)methylium dihydrogen phosphate","bis(4-amino-3,5-dimethylphenyl)(2,6-dichlorophenyl)methylium dihydrogen phosphate",Cc1cc(cc(C)c1N)[C+](c2cc(C)c(N)c(C)c2)c3c(Cl)cccc3Cl.[O-]P(=O)([O-])[O-],Cc1cc(cc(C)c1N)[C+](c2cc(C)c(N)c(C)c2)c3c(Cl)cccc3Cl.[O-]P(=O)([O-])[O-],"InChI=1/C23H24Cl2N2.H3O4P/c1-12-8-16(9-13(2)22(12)26)20(21-18(24)6-5-7-19(21)25)17-10-14(3)23(27)15(4)11-17;1-5(2,3)4/h5-11,20H,26-27H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C23H23Cl2N2.H2O4P,,,,,,PVODQVVVQKYTMW-UHFFFAOYSA-K,,,,,,,,,,,
100.069.858,276-867-6,72817-97-1,Ethyl 4-amino-5-cyanosalicylate,ethyl 4-amino-5-cyano-2-hydroxybenzoate,CCOC(=O)c1cc(C#N)c(N)cc1O,CCOC(=O)c1cc(C#N)c(N)cc1O,"InChI=1/C10H10N2O3/c1-2-15-10(14)7-3-6(5-11)8(12)4-9(7)13/h3-4,13H,2,12H2,1H3",C10H10N2O3,,,,,,JBTCEUXHFCUMJC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.860,276-869-7,72823-46-2,(1-oxohexadecyl)acetic acid,3-oxooctadecanoic acid,CCCCCCCCCCCCCCCC(=O)CC(=O)O,CCCCCCCCCCCCCCCC(=O)CC(=O)O,"InChI=1/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)",C18H34O4,,,,,,YQGGUZWHNVQJMF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.861,276-870-2,72824-97-6,Isopropylhydrazinium sulphate (2:1),bis(isopropyldiazanium) sulfate,CC(C)[NH2+]N.CC(C)[NH2+]N.[O-]S(=O)(=O)[O-],CC(C)[NH2+]N.CC(C)[NH2+]N.[O-]S(=O)(=O)[O-],"InChI=1/2C3H10N2.H2O4S/c2*1-3(2)5-4;1-5(2,3)4/h2*3,5H,4H2,1-2H3;(H2,1,2,3,4)",C3H10N2.1/2H2O4S,,,,,,FPYHYLLGSBBYMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.866,276-876-5,72828-38-7,"Glycine, N-(C12-22-alkylsulfonyl) derivs., monosodium salts",sodium 16-[(carboxymethyl)amino]hexadecane-1-sulfonate,[Na+].OC(=O)CNCCCCCCCCCCCCCCCCS(=O)(=O)[O-],[Na+].OC(=O)CNCCCCCCCCCCCCCCCCS(=O)(=O)[O-],"InChI=1/C18H37NO5S.Na/c20-18(21)17-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-25(22,23)24;/h19H,1-17H2,(H,20,21)(H,22,23,24);/q;+1/p-1",-,,,,,,SQSCENXULLZZRN-UHFFFAOYSA-M,,,,,,,,,,,
100.069.870,276-880-7,72828-65-0,"Disodium 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]","disodium 3,3'-{cyclohexane-1,1-diylbis[4,1-phenylenediazene-2,1-diyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}bis(4-chlorobenzenesulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N7/N=C(/C)C(N=Nc2ccc(cc2)C3(CCCCC3)c4ccc(cc4)N=NC6C(\\C)=N/N(c5cc(ccc5Cl)S([O-])(=O)=O)C6=O)C7=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N7/N=C(/C)C(N=Nc2ccc(cc2)C3(CCCCC3)c4ccc(cc4)N=NC6C(\C)=N/N(c5cc(ccc5Cl)S([O-])(=O)=O)C6=O)C7=O,"InChI=1/C38H34Cl2N8O8S2.2Na/c1-22-34(36(49)47(45-22)32-20-28(57(51,52)53)14-16-30(32)39)43-41-26-10-6-24(7-11-26)38(18-4-3-5-19-38)25-8-12-27(13-9-25)42-44-35-23(2)46-48(37(35)50)33-21-29(58(54,55)56)15-17-31(33)40;;/h6-17,20-21,34-35H,3-5,18-19H2,1-2H3,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2",C38H34Cl2N8O8S2.2Na,,,,,,HEOPACURWUVTNI-UHFFFAOYSA-L,,,,,,,,,,,
100.065.690,272-280-4,68784-90-7,"3,5-dimethyl-1-(2-methylpropyl)hexyl palmitate","1-isobutyl-3,5-dimethylhexyl palmitate",CCCCCCCCCCCCCCCC(=O)OC(CC(C)C)CC(C)CC(C)C,CCCCCCCCCCCCCCCC(=O)OC(CC(C)C)CC(C)CC(C)C,"InChI=1/C28H56O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-27(22-25(4)5)23-26(6)21-24(2)3/h24-27H,7-23H2,1-6H3",C28H56O2,,,,,,CQCZSONTBHAKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.065.694,272-285-1,68784-94-1,"2,4,4-trimethyl-1,5-diazaspiro[5.5]undec-1-ene","2,4,4-trimethyl-1,5-diazaspiro[5.5]undec-1-ene",CC1=NC2(CCCCC2)NC(C)(C)C1,CC1=NC2(CCCCC2)NC(C)(C)C1,"InChI=1/C12H22N2/c1-10-9-11(2,3)14-12(13-10)7-5-4-6-8-12/h14H,4-9H2,1-3H3",C12H22N2,,,,,,KKAPBKMHOSGADR-UHFFFAOYSA-N,,,,,,,,,,,
100.065.711,272-303-8,68797-52-4,"Ammonium a-hydroxy-3,4-dimethoxytoluene-a-sulphonate","ammonium (3,4-dimethoxyphenyl)(hydroxy)methanesulfonate",[NH4+].COc1ccc(cc1OC)C(O)S(=O)(=O)[O-],[NH4+].COc1ccc(cc1OC)C(O)S(=O)(=O)[O-],"InChI=1/C9H12O6S.H3N/c1-14-7-4-3-6(5-8(7)15-2)9(10)16(11,12)13;/h3-5,9-10H,1-2H3,(H,11,12,13);1H3",C9H12O6S.H3N,,,,,,PGNLMPVPHBUAGA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.714,272-306-4,68797-63-7,"Sodium (S)-a,a,4-trimethylcyclohex-3-ene-1-methanolate",sodium 2-(4-methylcyclohex-3-en-1-yl)propan-2-olate,[Na+].CC1=CC[C@H](CC1)C(C)(C)[O-],[Na+].CC1=CC[C@H](CC1)C(C)(C)[O-],"InChI=1/C10H17O.Na/c1-8-4-6-9(7-5-8)10(2,3)11;/h4,9H,5-7H2,1-3H3;/q-1;+1",C10H18O.Na,,,,,,HYRQFPFINJXYCB-SBSPUUFOSA-N,,,,,,,,,,,
100.069.375,276-335-3,72090-04-1,L-arginine mono(3-methyl-2-oxovalerate),3-methyl-2-oxopentanoic acid - L-arginine (1:1),CCC(C)C(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,CCC(C)C(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.C6H10O3/c7-4(5(11)12)2-1-3-10-6(8)9;1-3-4(2)5(7)6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4H,3H2,1-2H3,(H,8,9)",C6H14N4O2.C6H10O3,,,,,,MOCGEIVEEZEZCF-WCCKRBBISA-N,,,,,,,,,,,
100.090.737,299-857-3,93917-78-3,"N,N'-[carbonylbis[(ethylimino)ethane-1,2-diyl]]distearamide",N-[2-(ethyl{ethyl[2-(stearoylamino)ethyl]carbamoyl}amino)ethyl]octadecanamide (non-preferred name),CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)C(=O)N(CC)CCNC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)C(=O)N(CC)CCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C45H90N4O3/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(50)46-39-41-48(7-3)45(52)49(8-4)42-40-47-44(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-42H2,1-4H3,(H,46,50)(H,47,51)",C45H90N4O3,,,,,,QDAWKYLNEATIFV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.745,299-866-2,93917-86-3,"Formic acid, compound with N,N'-[ethylenebis(iminoethylene)]bis[stearamide] (1:1)","formic acid - N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]dioctadecanamide (1:1)",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O,"InChI=1/C42H86N4O2.CH2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1-3/h43-44H,3-40H2,1-2H3,(H,45,47)(H,46,48);1H,(H,2,3)",C42H86N4O2.CH2O2,,,,,,LMBILQNMGBKXJE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.501,301-797-0,94070-97-0,1-tert-butyl-2-(cyclopentylidene)cyclopentan-1-ol,"2-tert-butyl-1,1'-bi(cyclopentyliden)-2-ol",CC(C)(C)C1(O)CCCC1=C2CCCC2,CC(C)(C)C1(O)CCCC1=C2CCCC2,"InChI=1/C14H24O/c1-13(2,3)14(15)10-6-9-12(14)11-7-4-5-8-11/h15H,4-10H2,1-3H3",C14H24O,,,,,,HFZUWSVKMKZOCE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.938,301-178-5,93981-89-6,[2-(acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride,"N-(2-acetoxyethyl)-3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCN(CC)c1ccc(\\C=C(/C#N)\\C(=O)OCCC[N+](C)(C)CCOC(=O)C)cc1,[Cl-].CCN(CC)c1ccc(\C=C(/C#N)\C(=O)OCCC[N+](C)(C)CCOC(=O)C)cc1,"InChI=1/C23H34N3O4.ClH/c1-6-25(7-2)22-11-9-20(10-12-22)17-21(18-24)23(28)30-15-8-13-26(4,5)14-16-29-19(3)27;/h9-12,17H,6-8,13-16H2,1-5H3;1H/q+1;/p-1",C23H34N3O4.Cl,,,,,,IRMHBQBEUOAISY-DIRYEVLESA-M,,,,,,,,,,,
100.091.944,301-184-8,93981-96-5,Ethyl hydroxy[(2-methyl-1-oxoallyl)amino]acetate,ethyl hydroxy(methacryloylamino)acetate,CCOC(=O)C(O)NC(=O)C(=C)C,CCOC(=O)C(O)NC(=O)C(=C)C,"InChI=1/C8H13NO4/c1-4-13-8(12)7(11)9-6(10)5(2)3/h7,11H,2,4H2,1,3H3,(H,9,10)",C8H13NO4,,,,,,NOLVPZDOFTZBTP-UHFFFAOYSA-N,,,,,,,,,,,
100.091.947,301-187-4,93981-99-8,"(2-hydroxy-1,1-dimethylethyl)ammonium myristate",1-hydroxy-2-methylpropan-2-aminium myristate,CCCCCCCCCCCCCC(=O)[O-].CC(C)([NH3+])CO,CCCCCCCCCCCCCC(=O)[O-].CC(C)([NH3+])CO,"InChI=1/C14H28O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4(2,5)3-6/h2-13H2,1H3,(H,15,16);6H,3,5H2,1-2H3",C14H28O2.C4H11NO,,,,,,YDFWQQHYMVACQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.951,301-192-1,93982-03-7,[2-hydroxy-3-(naphthyloxy)propyl]isopropylammonium acetate,2-hydroxy-N-isopropyl-3-(1-naphthyloxy)propan-1-aminium acetate,CC(C)[NH2+]CC(O)COc1cccc2ccccc12.CC(=O)[O-],CC(C)[NH2+]CC(O)COc1cccc2ccccc12.CC(=O)[O-],"InChI=1/C16H21NO2.C2H4O2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2(3)4/h3-9,12,14,17-18H,10-11H2,1-2H3;1H3,(H,3,4)",C16H21NO2.C2H4O2,,,,,,AAQCIMVFPOGSJU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.960,301-202-4,93982-12-8,Bis(nonylphenyl) glutarate,bis(2-nonylphenyl) glutarate,CCCCCCCCCc1ccccc1OC(=O)CCCC(=O)Oc2ccccc2CCCCCCCCC,CCCCCCCCCc1ccccc1OC(=O)CCCC(=O)Oc2ccccc2CCCCCCCCC,"InChI=1/C35H52O4/c1-3-5-7-9-11-13-15-22-30-24-17-19-26-32(30)38-34(36)28-21-29-35(37)39-33-27-20-18-25-31(33)23-16-14-12-10-8-6-4-2/h17-20,24-27H,3-16,21-23,28-29H2,1-2H3",C35H52O4,,,,,,XOLPFCCYOWNLPE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.961,301-204-5,93982-13-9,Bis(nonylphenyl) succinate,bis(2-nonylphenyl) succinate,CCCCCCCCCc1ccccc1OC(=O)CCC(=O)Oc2ccccc2CCCCCCCCC,CCCCCCCCCc1ccccc1OC(=O)CCC(=O)Oc2ccccc2CCCCCCCCC,"InChI=1/C34H50O4/c1-3-5-7-9-11-13-15-21-29-23-17-19-25-31(29)37-33(35)27-28-34(36)38-32-26-20-18-24-30(32)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-28H2,1-2H3",C34H50O4,,,,,,YXNPFNPHSYKAFN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.971,301-215-5,93982-24-2,4-[[4-[4-nitrophenyl]anilino]azo]benzenesulphonic acid,4-[3-(4'-nitrobiphenyl-4-yl)triaz-1-en-1-yl]benzenesulfonic acid,[O-][N+](=O)c1ccc(cc1)c3ccc(NN=Nc2ccc(cc2)S(O)(=O)=O)cc3,[O-][N+](=O)c1ccc(cc1)c3ccc(NN=Nc2ccc(cc2)S(O)(=O)=O)cc3,"InChI=1/C18H14N4O5S/c23-22(24)17-9-3-14(4-10-17)13-1-5-15(6-2-13)19-21-20-16-7-11-18(12-8-16)28(25,26)27/h1-12H,(H,19,20)(H,25,26,27)",C18H14N4O5S,,,,,,IPLYAPIYHAUZLV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.973,301-217-6,93982-26-4,1-hydroxy-4-[(3-methoxypropyl)amino]anthraquinone,"1-hydroxy-4-[(3-methoxypropyl)amino]-9,10-anthraquinone",COCCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,COCCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H17NO4/c1-23-10-4-9-19-13-7-8-14(20)16-15(13)17(21)11-5-2-3-6-12(11)18(16)22/h2-3,5-8,19-20H,4,9-10H2,1H3",C18H17NO4,,,,,,CTKVYBVRHPGRCA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.977,301-221-8,93982-32-2,Butylbis(2-ethylhexyl)methylammonium methyl sulphate,"7-butyl-5,9-diethyltridecan-7-aminium methyl sulfate",CCCCC(CC)CC([NH3+])(CCCC)CC(CC)CCCC.COS(=O)(=O)[O-],CCCCC(CC)CC([NH3+])(CCCC)CC(CC)CCCC.COS(=O)(=O)[O-],"InChI=1/C21H45N.CH4O4S/c1-6-11-14-19(9-4)17-21(22,16-13-8-3)18-20(10-5)15-12-7-2;1-5-6(2,3)4/h19-20H,6-18,22H2,1-5H3;1H3,(H,2,3,4)",C21H46N.CH3O4S,,,,,,RAJRONZREYYWAX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.013,275-937-3,71735-25-6,"4-(diallylamino)-3,5-dimethylphenyl dimethylcarbamate","4-(diallylamino)-3,5-dimethylphenyl dimethylcarbamate",CN(C)C(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1,CN(C)C(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1,"InChI=1/C17H24N2O2/c1-7-9-19(10-8-2)16-13(3)11-15(12-14(16)4)21-17(20)18(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3",C17H24N2O2,,,,,,PZDDJAFRAIKACQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.017,275-942-0,71735-30-3,2-methyl-4-nitroaniline sulphate,2-methyl-4-nitroaniline sulfate,Cc1cc(ccc1N)[N+](=O)[O-].OS(=O)(=O)O,Cc1cc(ccc1N)[N+](=O)[O-].OS(=O)(=O)O,"InChI=1/C7H8N2O2.H2O4S/c1-5-4-6(9(10)11)2-3-7(5)8;1-5(2,3)4/h2-4H,8H2,1H3;(H2,1,2,3,4)",C7H8N2O2.xH2O4S,,,,,,UWKHFVIRHXFVBX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.021,275-946-2,71735-34-7,"5-methylpyrimidine-2,4,6-triamine","5-methylpyrimidine-2,4,6-triamine",Cc1c(N)nc(N)nc1N,Cc1c(N)nc(N)nc1N,"InChI=1/C5H9N5/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H6,6,7,8,9,10)",C5H9N5,,,,,,PHSWNMAZTISHEE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.022,275-947-8,71735-35-8,4-hydroxy-3-nitronaphthalene-1-sulphonic acid,4-hydroxy-3-nitronaphthalene-1-sulfonic acid,Oc1c(cc(c2ccccc12)S(=O)(=O)O)[N+](=O)[O-],Oc1c(cc(c2ccccc12)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C10H7NO6S/c12-10-7-4-2-1-3-6(7)9(18(15,16)17)5-8(10)11(13)14/h1-5,12H,(H,15,16,17)",C10H7NO6S,,,,,,XSXPMEFGYQQBHC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.660,270-047-1,68400-57-7,"N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]stearamide","N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]octadecanamide",CCCCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO,CCCCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO,"InChI=1/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)23-22(18-24,19-25)20-26/h24-26H,2-20H2,1H3,(H,23,27)",C22H45NO4,,,,,,LQRFVSAFANRBHO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.662,270-049-2,68400-59-9,"12-chloro-12-methyl-2,5,8-trioxa-12-silatridecane","12-chloro-12-methyl-2,5,8-trioxa-12-silatridecane",COCCOCCOCCC[Si](C)(C)Cl,COCCOCCOCCC[Si](C)(C)Cl,"InChI=1/C10H23ClO3Si/c1-12-6-7-14-9-8-13-5-4-10-15(2,3)11/h4-10H2,1-3H3",C10H23ClO3Si,,,,,,YQBNCFNFOQKVOO-UHFFFAOYSA-N,,,,,,,,,,,
100.065.447,272-013-1,68648-93-1,"1,2-Benzenedicarboxylic acid, mixed decyl and hexyl and octyl diesters",decyl hexyl phthalate,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,"InChI=1/C24H38O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",-,,,,,,OMQBXAQAHHFSST-UHFFFAOYSA-N,,,,,,,,,,,
100.065.461,272-028-3,68649-42-3,"Phosphorodithioic acid, O,O-di-C1-14-alkyl esters, zinc salts","zinc bis(O,O-diheptyl dithiophosphate)",[Zn+2].CCCCCCCOP(=S)([S-])OCCCCCCC.CCCCCCCOP(=S)([S-])OCCCCCCC,[Zn+2].CCCCCCCOP(=S)([S-])OCCCCCCC.CCCCCCCOP(=S)([S-])OCCCCCCC,"InChI=1/2C14H31O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2;/h2*3-14H2,1-2H3,(H,18,19);/q;;+2/p-2",-,,,,,,ZKAQFYDDTYGBBV-UHFFFAOYSA-L,,,,,,,,,,,
100.068.414,275-278-1,71230-65-4,N-[3-amino-4-(2-methoxyethoxy)phenyl]propionamide,N-[3-amino-4-(2-methoxyethoxy)phenyl]propanamide,CCC(=O)Nc1ccc(OCCOC)c(N)c1,CCC(=O)Nc1ccc(OCCOC)c(N)c1,"InChI=1/C12H18N2O3/c1-3-12(15)14-9-4-5-11(10(13)8-9)17-7-6-16-2/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)",C12H18N2O3,,,,,,ZYKLZWBYDIJLOK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.419,275-283-9,71243-34-0,4-[1-[4-(tert-butyl)phenoxy]ethyl]-5-nitroveratrole,"1-[1-(4-tert-butylphenoxy)ethyl]-4,5-dimethoxy-2-nitrobenzene",COc1cc(C(C)Oc2ccc(cc2)C(C)(C)C)c(cc1OC)[N+](=O)[O-],COc1cc(C(C)Oc2ccc(cc2)C(C)(C)C)c(cc1OC)[N+](=O)[O-],"InChI=1/C20H25NO5/c1-13(26-15-9-7-14(8-10-15)20(2,3)4)16-11-18(24-5)19(25-6)12-17(16)21(22)23/h7-13H,1-6H3",C20H25NO5,,,,,,BTWLKKFTPCBOEM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.442,275-309-9,71295-98-2,Glycine phosphate,glycine phosphate,OC(=O)CN.OP(O)(=O)O,OC(=O)CN.OP(O)(=O)O,"InChI=1/C2H5NO2.H3O4P/c3-1-2(4)5;1-5(2,3)4/h1,3H2,(H,4,5);(H3,1,2,3,4)",C2H5NO2.H3O4P,,,,,,YBPUBXQZBUQACE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.449,275-317-2,71317-44-7,Potassium docosyl sulphate,potassium docosyl sulfate,[K+].CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[K+].CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C22H46O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H,23,24,25);/q;+1/p-1",C22H46O4S.K,,,,,,XGSRDJPSYXNNPU-UHFFFAOYSA-M,,,,,,,,,,,
100.069.038,275-965-6,71735-74-5,Ethyl 3-[[bis(1-methylethoxy)phosphinothioyl]thio]propionate,ethyl 3-[(diisopropoxyphosphorothioyl)sulfanyl]propanoate,CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C,CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C,"InChI=1/C11H23O4PS2/c1-6-13-11(12)7-8-18-16(17,14-9(2)3)15-10(4)5/h9-10H,6-8H2,1-5H3",C11H23O4PS2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13230,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.038,PMWHATAFABINDH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.043,275-970-3,71750-39-5,Phenethylamine sulphate,2-phenylethanamine sulfate,NCCc1ccccc1.OS(=O)(=O)O,NCCc1ccccc1.OS(=O)(=O)O,"InChI=1/C8H11N.H2O4S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5H,6-7,9H2;(H2,1,2,3,4)",C8H11N.xH2O4S,,,,,,CEGDZSHEIZACBG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.045,275-972-4,71750-41-9,"4-hydroxy-5-[[(methylphenyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid","4-hydroxy-5-{[(2-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonic acid",Cc1ccccc1S(=O)(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,Cc1ccccc1S(=O)(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H15NO9S3/c1-10-4-2-3-5-16(10)28(20,21)18-14-8-12(29(22,23)24)6-11-7-13(30(25,26)27)9-15(19)17(11)14/h2-9,18-19H,1H3,(H,22,23,24)(H,25,26,27)",C17H15NO9S3,,,,,,RNYIFEPXNWWHGG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.812,279-017-2,78952-72-4,"2-[[3,3'-dichloro-4'-[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-4-yl]azo]-3-oxo-N-(o-tolyl)butyramide","2-{[3,3'-dichloro-4'-({1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazenyl)biphenyl-4-yl]diazenyl}-N-(2-methylphenyl)-3-oxobutanamide",Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c4,Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c4,"InChI=1/C35H32Cl2N6O4/c1-19-10-13-29(21(3)16-19)39-35(47)33(23(5)45)43-41-31-15-12-25(18-27(31)37)24-11-14-30(26(36)17-24)40-42-32(22(4)44)34(46)38-28-9-7-6-8-20(28)2/h6-18,32-33H,1-5H3,(H,38,46)(H,39,47)",C35H32Cl2N6O4,,,,,,XAQOUXKUARYQQO-UHFFFAOYSA-N,,,,,,,,,,,
100.071.826,279-032-4,78987-80-1,"1,1'-(3-chloropropylidene)bis[4-fluorobenzene]","1,1'-(3-chloropropane-1,1-diyl)bis(4-fluorobenzene)",Fc1ccc(cc1)C(CCCl)c2ccc(F)cc2,Fc1ccc(cc1)C(CCCl)c2ccc(F)cc2,"InChI=1/C15H13ClF2/c16-10-9-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2",C15H13ClF2,,,,,,IOVUPKRBIBVGIG-UHFFFAOYSA-N,,,,,,,,,,,
100.071.828,279-035-0,78989-37-4,Ethyl (E)-oct-4-enoate,ethyl oct-4-enoate,CCC\\C=C\\CCC(=O)OCC,CCC\C=C\CCC(=O)OCC,"InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3",C10H18O2,,,,,,WRUZCQAJIHSQPL-VOTSOKGWSA-N,,,,,,,,,,,
100.071.834,279-041-3,79044-53-4,"Methyl N-[4-[(6,7-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate","dimethyl 3,3'-({4-[(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]-3-methylphenyl}imino)dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)c3ccc(N=Nc1nc2ccc(Cl)c(Cl)c2s1)c(C)c3,COC(=O)CCN(CCC(=O)OC)c3ccc(N=Nc1nc2ccc(Cl)c(Cl)c2s1)c(C)c3,"InChI=1/C22H22Cl2N4O4S/c1-13-12-14(28(10-8-18(29)31-2)11-9-19(30)32-3)4-6-16(13)26-27-22-25-17-7-5-15(23)20(24)21(17)33-22/h4-7,12H,8-11H2,1-3H3",C22H22Cl2N4O4S,,,,,,YQGPENWCCSCJRA-UHFFFAOYSA-N,,,,,,,,,,,
100.071.837,279-045-5,79044-56-7,"2,4-bis(isopropyl)-9H-thioxanthen-9-one","2,4-diisopropyl-9H-thioxanthen-9-one",CC(C)c1cc(C(C)C)c2Sc3ccccc3C(=O)c2c1,CC(C)c1cc(C(C)C)c2Sc3ccccc3C(=O)c2c1,"InChI=1/C19H20OS/c1-11(2)13-9-15(12(3)4)19-16(10-13)18(20)14-7-5-6-8-17(14)21-19/h5-12H,1-4H3",C19H20OS,,,,,,BRKORVYTKKLNKX-UHFFFAOYSA-N,,,,,,,,,,,
100.071.838,279-046-0,79050-06-9,7-hydroxy-N-(2-hydroxyethyl)-2-oxo-2H-1-benzopyran-3-carboxamide,7-hydroxy-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide,OCCNC(=O)C1=Cc2ccc(O)cc2OC1=O,OCCNC(=O)C1=Cc2ccc(O)cc2OC1=O,"InChI=1/C12H11NO5/c14-4-3-13-11(16)9-5-7-1-2-8(15)6-10(7)18-12(9)17/h1-2,5-6,14-15H,3-4H2,(H,13,16)",C12H11NO5,,,,,,MFDHNLFEBWFUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.071.839,279-047-6,79057-88-8,Trisodium 6-[(4-amino-2-hydroxyphenyl)azo]-3-[[4-[[4-[[7-[(4-amino-2-hydroxyphenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate,trisodium 6-[(4-amino-2-hydroxyphenyl)diazenyl]-3-[(4-{[4-({7-[(4-amino-2-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)phenyl]amino}-3-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1O)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(O)c7cc(N=Nc5ccc(N)cc5O)ccc7cc6S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1O)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(O)c7cc(N=Nc5ccc(N)cc5O)ccc7cc6S([O-])(=O)=O,"InChI=1/C44H33N11O13S3.3Na/c45-24-3-12-33(36(56)17-24)52-49-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)54-48-27-9-7-26(8-10-27)47-35-14-11-30(21-38(35)69(60,61)62)51-55-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)50-53-34-13-4-25(46)18-37(34)57;;;/h1-21,47,56-59H,45-46H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3",C44H33N11O13S3.3Na,,,,,,VBESMCXNVSSFNS-UHFFFAOYSA-K,,,,,,,,,,,
100.071.841,279-049-7,79064-89-4,"2-methyl-1,4-dioxacycloheptadecane-5,17-dione","2-methyl-1,4-dioxacycloheptadecane-5,17-dione",CC1COC(=O)CCCCCCCCCCCC(=O)O1,CC1COC(=O)CCCCCCCCCCCC(=O)O1,"InChI=1/C16H28O4/c1-14-13-19-15(17)11-9-7-5-3-2-4-6-8-10-12-16(18)20-14/h14H,2-13H2,1H3",C16H28O4,,,,,,USHSNNWMZKDOIC-UHFFFAOYSA-N,,,,,,,,,,,
100.071.842,279-050-2,79069-96-8,"Potassium sodium 4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonate","potassium sodium 2,2'-ethene-1,2-diylbis{5-[(4-hydroxyphenyl)diazenyl]benzenesulfonate}",[K+].[Na+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,[K+].[Na+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,"InChI=1/C26H20N4O8S2.K.Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C26H20N4O8S2.xK.xNa,,,,,,GDUPSGOMYBSIGO-ZFEDVODKSA-L,,,,,,,,,,,
100.071.845,279-053-9,79084-83-6,"1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(phenylamino)nicotinonitrile","1-anilino-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CC1=C(C#N)C(=O)N(Nc2ccccc2)C(=C1)O,CC1=C(C#N)C(=O)N(Nc2ccccc2)C(=C1)O,"InChI=1/C13H11N3O2/c1-9-7-12(17)16(13(18)11(9)8-14)15-10-5-3-2-4-6-10/h2-7,15,17H,1H3",C13H11N3O2,,,,,,KVWONRVEOSFECU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.096,284-836-3,84963-34-8,Hydroxymethylguanidine monohydrobromide,1-(hydroxymethyl)guanidine hydrobromide,Br.NC(=N)NCO,Br.NC(=N)NCO,"InChI=1/C2H7N3O.BrH/c3-2(4)5-1-6;/h6H,1H2,(H4,3,4,5);1H",C2H7N3O.BrH,,,,,,YMOUQXXCJQIJBK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.100,284-841-0,84963-38-2,Sodium 2-acetamido-5-chlorobenzenesulphonate,sodium 2-acetamido-5-chlorobenzenesulfonate,[Na+].CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)[O-],[Na+].CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)[O-],"InChI=1/C8H8ClNO4S.Na/c1-5(11)10-7-3-2-6(9)4-8(7)15(12,13)14;/h2-4H,1H3,(H,10,11)(H,12,13,14);/q;+1/p-1",C8H8ClNO4S.Na,,,,,,GFUFZPFKKASMNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.393,276-355-2,72135-20-7,4-amino-N-[[1-(cyclopropylmethyl)-2-pyrrolidinyl]methyl]-5-(ethylsulphonyl)-2-methoxybenzamide,4-amino-N-{[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide,CCS(=O)(=O)c1cc(C(=O)NCC2CCCN2CC3CC3)c(OC)cc1N,CCS(=O)(=O)c1cc(C(=O)NCC2CCCN2CC3CC3)c(OC)cc1N,"InChI=1/C19H29N3O4S/c1-3-27(24,25)18-9-15(17(26-2)10-16(18)20)19(23)21-11-14-5-4-8-22(14)12-13-6-7-13/h9-10,13-14H,3-8,11-12,20H2,1-2H3,(H,21,23)",C19H29N3O4S,,,,,,LHGHUKINGVHMJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.395,276-357-3,72137-42-9,"16a-ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione","16-ethyl-17-glycoloylestra-4,9-dien-3-one",CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]2(C)[C@H]1C(=O)CO,CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]2(C)[C@H]1C(=O)CO,"InChI=1/C22H30O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,18-19,21,23H,3-9,11-12H2,1-2H3",C22H30O3,,,,,,OYJXCIJVEVVVGE-PRXKQPRJSA-N,,,,,,,,,,,
100.066.755,273-452-1,68966-85-8,Trisodium 2-[4-[[2-hydroxy-1-[[(4-sulphonato-1-naphthyl)amino]carbonyl]propyl]azo]sulphonatophenyl]-6-methylbenzothiazole-7-sulphonate,"trisodium 2-[4-({2-hydroxy-1-[(4-sulfonato-1-naphthyl)carbamoyl]propyl}diazenyl)-2-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(NC(=O)C(N=Nc3ccc(c1nc2ccc(C)c(c2s1)S([O-])(=O)=O)c(c3)S([O-])(=O)=O)C(C)O)c4ccccc45,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(NC(=O)C(N=Nc3ccc(c1nc2ccc(C)c(c2s1)S([O-])(=O)=O)c(c3)S([O-])(=O)=O)C(C)O)c4ccccc45,"InChI=1/C28H24N4O11S4.3Na/c1-14-7-10-21-25(26(14)47(41,42)43)44-28(30-21)19-9-8-16(13-23(19)46(38,39)40)31-32-24(15(2)33)27(34)29-20-11-12-22(45(35,36)37)18-6-4-3-5-17(18)20;;;/h3-13,15,24,33H,1-2H3,(H,29,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C28H24N4O11S4.3Na,,,,,,KUEADJMKJSAMSJ-UHFFFAOYSA-K,,,,,,,,,,,
100.066.768,273-466-8,68969-35-7,Allyl butyl maleate,allyl butyl but-2-enedioate,CCCCOC(=O)\\C=C/C(=O)OCC=C,CCCCOC(=O)\C=C/C(=O)OCC=C,"InChI=1/C11H16O4/c1-3-5-9-15-11(13)7-6-10(12)14-8-4-2/h4,6-7H,2-3,5,8-9H2,1H3",C11H16O4,,,,,,DIGXOCVEAAIPAN-SREVYHEPSA-N,,,,,,,,,,,
100.066.772,273-471-5,68974-78-7,Magnesium thiobis(tetrapropenylphenolate),"magnesium 2,2'-sulfanediylbis(tetraprop-1-en-1-ylphenolate)",[Mg+2].CC=Cc2c(Sc1c(C=CC)c(C=CC)c(C=CC)c(C=CC)c1[O-])c([O-])c(C=CC)c(C=CC)c2C=CC,[Mg+2].CC=Cc2c(Sc1c(C=CC)c(C=CC)c(C=CC)c(C=CC)c1[O-])c([O-])c(C=CC)c(C=CC)c2C=CC,"InChI=1/C36H42O2S.Mg/c1-9-17-25-27(19-11-3)31(23-15-7)35(33(37)29(25)21-13-5)39-36-32(24-16-8)28(20-12-4)26(18-10-2)30(22-14-6)34(36)38;/h9-24,37-38H,1-8H3;/q;+2/p-2",C36H54O2S.xMg,,,,,,HDGPYJDXJPCDAI-UHFFFAOYSA-L,,,,,,,,,,,
100.066.776,273-475-7,68975-76-8,"1,1'-[methylenebis(oxy)]bistridecane","1,1'-[methylenebis(oxy)]ditridecane",CCCCCCCCCCCCCOCOCCCCCCCCCCCCC,CCCCCCCCCCCCCOCOCCCCCCCCCCCCC,"InChI=1/C27H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-27-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3",C27H56O2,,,,,,HUORXJRUKHMTDN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.779,273-478-3,68975-80-4,"3-[(6-amino-3,3,5-trimethylhexyl)amino]propiononitrile","3-[(6-amino-3,3,5-trimethylhexyl)amino]propanenitrile",CC(CN)CC(C)(C)CCNCCC#N,CC(CN)CC(C)(C)CCNCCC#N,"InChI=1/C12H25N3/c1-11(10-14)9-12(2,3)5-8-15-7-4-6-13/h11,15H,4-5,7-10,14H2,1-3H3",C12H25N3,,,,,,CXXHKLBKHPAMQM-UHFFFAOYSA-N,,,,,,,,,,,
100.065.722,272-315-3,68797-74-0,4-(isobutyl)cyclohexyl hexanoate,4-isobutylcyclohexyl hexanoate,CCCCCC(=O)OC1CCC(CC(C)C)CC1,CCCCCC(=O)OC1CCC(CC(C)C)CC1,"InChI=1/C16H30O2/c1-4-5-6-7-16(17)18-15-10-8-14(9-11-15)12-13(2)3/h13-15H,4-12H2,1-3H3",C16H30O2,,,,,,VEYKUZNBICFYCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.726,272-320-0,68804-01-3,"3-(3,7,7-trimethylbicyclo[4.1.0]hept-2-ylidene)propiononitrile","3-(3,7,7-trimethylbicyclo[4.1.0]hept-2-ylidene)propanenitrile",CC2(C)C1CCC(C)C(=CCC#N)C12,CC2(C)C1CCC(C)C(=CCC#N)C12,"InChI=1/C13H19N/c1-9-6-7-11-12(13(11,2)3)10(9)5-4-8-14/h5,9,11-12H,4,6-7H2,1-3H3",C13H19N,,,,,,QPHPMTHPQCNHIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.727,272-321-6,68804-02-4,"3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)propiononitrile","3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile",CC2(C)C1CC(C)C(CC12)=CCC#N,CC2(C)C1CC(C)C(CC12)=CCC#N,"InChI=1/C13H19N/c1-9-7-11-12(13(11,2)3)8-10(9)5-4-6-14/h5,9,11-12H,4,7-8H2,1-3H3",C13H19N,,,,,,WHPKEUKLQUSZBC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.250,273-995-4,69423-13-8,"Pyridine-2,6-dipropanol","3,3'-pyridine-2,6-diyldipropan-1-ol",OCCCc1cccc(CCCO)n1,OCCCc1cccc(CCCO)n1,"InChI=1/C11H17NO2/c13-8-2-6-10-4-1-5-11(12-10)7-3-9-14/h1,4-5,13-14H,2-3,6-9H2",C11H17NO2,,,,,,GVIZSPVYUCBWKE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.950,270-366-6,68425-66-1,"Boric acid, compd. with 2,2'-iminobis[ethanol]","2,2'-iminodiethanol borate (salt)",OCCNCCO.OB(O)O,OCCNCCO.OB(O)O,"InChI=1/C4H11NO2.BH3O3/c6-3-1-5-2-4-7;2-1(3)4/h5-7H,1-4H2;2-4H",-,,,,,,HRXOXDAKKRLSMI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.958,270-375-5,68425-96-7,"Dioctyl 2,4,4-trimethyladipate","dioctyl 2,4,4-trimethylhexanedioate",CCCCCCCCOC(=O)CC(C)(C)CC(C)C(=O)OCCCCCCCC,CCCCCCCCOC(=O)CC(C)(C)CC(C)C(=O)OCCCCCCCC,"InChI=1/C25H48O4/c1-6-8-10-12-14-16-18-28-23(26)21-25(4,5)20-22(3)24(27)29-19-17-15-13-11-9-7-2/h22H,6-21H2,1-5H3",C25H48O4,,,,,,PZUFQXFABCHDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.508,301-804-7,94071-04-2,N-(2-aminophenyl)-D-gluconamide,"N-(2-aminophenyl)-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",Nc1ccccc1NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,Nc1ccccc1NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C12H18N2O6/c13-6-3-1-2-4-7(6)14-12(20)11(19)10(18)9(17)8(16)5-15/h1-4,8-11,15-19H,5,13H2,(H,14,20)",C12H18N2O6,,,,,,GAJMSPIFEDMQCT-CHWFTXMASA-N,,,,,,,,,,,
100.092.514,301-811-5,94071-10-0,(E)-[2-[3-[5-(acetylamino)-2-hydroxyphenyl]-3-oxo-1-propenyl]phenoxy]acetic acid,{2-[3-(5-acetamido-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}acetic acid,CC(=O)Nc1ccc(O)c(c1)C(=O)\\C=C\\c2ccccc2OCC(=O)O,CC(=O)Nc1ccc(O)c(c1)C(=O)\C=C\c2ccccc2OCC(=O)O,"InChI=1/C19H17NO6/c1-12(21)20-14-7-9-17(23)15(10-14)16(22)8-6-13-4-2-3-5-18(13)26-11-19(24)25/h2-10,23H,11H2,1H3,(H,20,21)(H,24,25)",C19H17NO6,,,,,,BNGGSJJCUYVTHW-SOFGYWHQSA-N,,,,,,,,,,,
100.092.517,301-814-1,94071-13-3,"2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-butanol","4-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)butan-1-ol",OCCCCC1NCCc2c1[nH]c3ccccc23,OCCCCC1NCCc2c1[nH]c3ccccc23,"InChI=1/C15H20N2O/c18-10-4-3-7-14-15-12(8-9-16-14)11-5-1-2-6-13(11)17-15/h1-2,5-6,14,16-18H,3-4,7-10H2",C15H20N2O,,,,,,JGXRNUZQPOXGCW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.519,301-816-2,94071-15-5,"2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanol","3-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)propan-1-ol",OCCCC1NCCc2c1[nH]c3ccccc23,OCCCC1NCCc2c1[nH]c3ccccc23,"InChI=1/C14H18N2O/c17-9-3-6-13-14-11(7-8-15-13)10-4-1-2-5-12(10)16-14/h1-2,4-5,13,15-17H,3,6-9H2",C14H18N2O,,,,,,XQJOQBSYNVJACP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.537,301-836-1,94086-48-3,Zirconium tetra(dimethylhexanoate),zirconium tetra(dimethylhexanoate),[Zr+2].[Zr+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],[Zr+2].[Zr+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],"InChI=1/4C8H16O2.2Zr/c4*1-4-5-6-8(2,3)7(9)10;;/h4*4-6H2,1-3H3,(H,9,10);;/q;;;;2*+2/p-4",C8H16O2.1/4Zr,,,,,,VMKOIJBYAKAVSD-UHFFFAOYSA-J,,,,,,,,,,,
100.092.547,301-847-1,94086-59-6,Calcium (tetrapropenyl)succinate,calcium tetraprop-1-en-1-ylsuccinate,[Ca+2].[O-]C(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C([O-])=O,[Ca+2].[O-]C(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C([O-])=O,"InChI=1/C16H22O4.Ca/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;/h5-12H,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2",C16H28O4.Ca,,,,,,MREFIUWWWJGVMD-UHFFFAOYSA-L,,,,,,,,,,,
100.091.987,301-232-8,93982-43-5,"N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]acrylamide","N-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]acrylamide",CC1(C)NC(=O)N(CNC(=O)C=C)C1=O,CC1(C)NC(=O)N(CNC(=O)C=C)C1=O,"InChI=1/C9H13N3O3/c1-4-6(13)10-5-12-7(14)9(2,3)11-8(12)15/h4H,1,5H2,2-3H3,(H,10,13)(H,11,15)",C9H13N3O3,,,,,,FDDHPCWGNIJSAP-UHFFFAOYSA-N,,,,,,,,,,,
100.088.657,297-567-1,93658-67-4,3-[2-(dodecyloxy)ethoxy]propylamine,3-[2-(dodecyloxy)ethoxy]propan-1-amine,CCCCCCCCCCCCOCCOCCCN,CCCCCCCCCCCCOCCOCCCN,"InChI=1/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-14-19-16-17-20-15-12-13-18/h2-18H2,1H3",C17H37NO2,,,,,,IJTRRVLQJZAJCB-UHFFFAOYSA-N,,,,,,,,,,,
100.088.659,297-569-2,93658-87-8,"7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic, acid sodium salt","sodium 7-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazenyl)-3,6-disulfonaphthalene-1-sulfonate",[Na+].Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4,[Na+].Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4,"InChI=1/C20H16ClN9O10S3.Na/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37;/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28);/q;+1/p-1",C20H16ClN9O10S3.xNa,,,,,,WJWZUFBGWSROIN-UHFFFAOYSA-M,,,,,,,,,,,
100.090.514,299-612-0,93893-24-4,Ammonium ytterbium(3+) disulphate,ammonium ytterbium(3+) disulphate,[NH4+].[Yb+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Yb+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S.Yb.2H/c;2*1-5(2,3)4;;;/h1H3;2*(H2,1,2,3,4);;;/q;;;+3;;/p-3/rH3N.2H2O4S.H2Yb/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);1H2/q;;;+3/p-3",H3N.2H2O4S.Yb,,,,,,KBTQTXXTIDGQFN-UHFFFAOYSA-K,,,,,,,,,,,
100.090.515,299-613-6,93893-25-5,Trimagnesium diytterbium dodecanitrate,trimagnesium diytterbium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[Yb+2].[Yb+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[Yb+2].[Yb+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3Mg.12NO3.2Yb.4H/c;;;12*2-1(3)4;;;;;;/q3*+2;12*-1;2*+2;;;;/r3Mg.12NO3.2H2Yb/c;;;12*2-1(3)4;;/h;;;;;;;;;;;;;;;2*1H2/q3*+2;12*-1;2*+2,HNO3.1/4Mg.1/6Yb,,,,,,KUHUOFUCNWPHDN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.521,299-619-9,93893-32-4,"Bis(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate","N,N-bis(2-hydroxyethyl)-1-oxooctadeca-9,12,15-trien-1-aminium acetate",O=C(CCCCCCCC=CCC=CCC=CCC)[NH+](CCO)CCO.[O-]C(C)=O,O=C(CCCCCCCC=CCC=CCC=CCC)[NH+](CCO)CCO.[O-]C(C)=O,"InChI=1/C22H39NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h3-4,6-7,9-10,24-25H,2,5,8,11-21H2,1H3;1H3,(H,3,4)",C22H39NO3.C2H4O2,,,,,,UOPIYTYOADSLCY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.047,275-975-0,71750-43-1,"Methyl 3,4-dimethoxynitrobenzoate","methyl 3,4-dimethoxy-2-nitrobenzoate",COC(=O)c1ccc(OC)c(OC)c1[N+](=O)[O-],COC(=O)c1ccc(OC)c(OC)c1[N+](=O)[O-],"InChI=1/C10H11NO6/c1-15-7-5-4-6(10(12)17-3)8(11(13)14)9(7)16-2/h4-5H,1-3H3",C10H11NO6,,,,,,ZGIUTJWCSIHWGS-UHFFFAOYSA-N,,,,,,,,,,,
100.069.048,275-976-6,71750-44-2,Methylcyclohexyl stearate,1-methylcyclohexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC1(C)CCCCC1,CCCCCCCCCCCCCCCCCC(=O)OC1(C)CCCCC1,"InChI=1/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(26)27-25(2)22-19-17-20-23-25/h3-23H2,1-2H3",C25H48O2,,,,,,HYAIEVKSLDXZEX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.058,275-987-6,71752-27-7,4-chloro-N-[2-(dodecyloxy)phenyl]-1-hydroxynaphthalene-2-carboxamide,4-chloro-N-[2-(dodecyloxy)phenyl]-1-hydroxy-2-naphthamide,CCCCCCCCCCCCOc1ccccc1NC(=O)c2cc(Cl)c3ccccc3c2O,CCCCCCCCCCCCOc1ccccc1NC(=O)c2cc(Cl)c3ccccc3c2O,"InChI=1/C29H36ClNO3/c1-2-3-4-5-6-7-8-9-10-15-20-34-27-19-14-13-18-26(27)31-29(33)24-21-25(30)22-16-11-12-17-23(22)28(24)32/h11-14,16-19,21,32H,2-10,15,20H2,1H3,(H,31,33)",C29H36ClNO3,,,,,,PULQNXRMNDYTKN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.731,270-126-0,68411-44-9,"Benzene, butyl-, branched and linear",butylbenzene,CCCCc1ccccc1,CCCCc1ccccc1,"InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",-,Full,Individual,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6418,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.731,OCKPCBLVNKHBMX-UHFFFAOYSA-N,,,,,,,,,,,
100.065.486,272-056-6,68672-66-2,"(Z)-a-[[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-(tritylamino)thiazol-4-acetic acid","[(2-tert-butoxy-1,1-dimethyl-2-oxoethoxy)imino][2-(tritylamino)-1,3-thiazol-4-yl]acetic acid",CC(C)(C)OC(=O)C(C)(C)O\\N=C(/C(=O)O)\\c1csc(NC(c2ccccc2)(c3ccccc3)c4ccccc4)n1,CC(C)(C)OC(=O)C(C)(C)O\N=C(/C(=O)O)\c1csc(NC(c2ccccc2)(c3ccccc3)c4ccccc4)n1,"InChI=1/C32H33N3O5S/c1-30(2,3)39-28(38)31(4,5)40-35-26(27(36)37)25-21-41-29(33-25)34-32(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21H,1-5H3,(H,33,34)(H,36,37)",C32H33N3O5S,,,,,,RACSQPAUTPPMLG-JYUHDHNASA-N,,,,,,,,,,,
100.065.488,272-058-7,68678-76-2,"3,6-bis(1-phenylethyl)-o-xylene","2,3-dimethyl-1,4-bis(1-phenylethyl)benzene",CC(c1ccccc1)c2ccc(C(C)c3ccccc3)c(C)c2C,CC(c1ccccc1)c2ccc(C(C)c3ccccc3)c(C)c2C,"InChI=1/C24H26/c1-17-18(2)24(20(4)22-13-9-6-10-14-22)16-15-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3",C24H26,,,,,,KCPQNKJBLIGNBN-UHFFFAOYSA-N,,,,,,,,,,,
100.065.496,272-067-6,68683-22-7,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl formate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yl formate",O=COC1C=CC2C3CCC(C3)C12,O=COC1C=CC2C3CCC(C3)C12,"InChI=1/C11H14O2/c12-6-13-10-4-3-9-7-1-2-8(5-7)11(9)10/h3-4,6-11H,1-2,5H2",C11H14O2,,,,,,DNJXQUGTFJIYHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.460,275-329-8,71317-60-7,Potassium icosyl sulphate,potassium icosyl sulfate,[K+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[K+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C20H42O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1",C20H42O4S.K,,,,,,OZONAYCRJSIEKL-UHFFFAOYSA-M,,,,,,,,,,,
100.068.461,275-330-3,71322-53-7,N-benzyl-11-bromoundecanamide,N-benzyl-11-bromoundecanamide,BrCCCCCCCCCCC(=O)NCc1ccccc1,BrCCCCCCCCCCC(=O)NCc1ccccc1,"InChI=1/C18H28BrNO/c19-15-11-6-4-2-1-3-5-10-14-18(21)20-16-17-12-8-7-9-13-17/h7-9,12-13H,1-6,10-11,14-16H2,(H,20,21)",C18H28BrNO,,,,,,MFJWNWDVRYECRV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.462,275-331-9,71326-27-7,"3,3'-[[3-(dimethylamino)propyl]imino]bispropiononitrile","3,3'-{[3-(dimethylamino)propyl]imino}dipropanenitrile",CN(C)CCCN(CCC#N)CCC#N,CN(C)CCCN(CCC#N)CCC#N,"InChI=1/C11H20N4/c1-14(2)8-5-11-15(9-3-6-12)10-4-7-13/h3-5,8-11H2,1-2H3",C11H20N4,,,,,,NFFPZZHDHNNXBK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.470,275-340-8,71334-91-3,"Hexaammonium dihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","hexaammonium dihydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.6H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);6*1H3/p-2",C6H20N2O12P4.6H3N,,,,,,KABWVICPHUAXQG-UHFFFAOYSA-L,,,,,,,,,,,
100.068.471,275-341-3,71335-02-9,"Benzyl[3-[[9,10-dihydro-4-[isopropylamino]-9,10-dioxo-1-anthryl]amino]propyl]dimethylammonium acetate","N-benzyl-3-{[4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N,N-dimethylpropan-1-aminium acetate",CC(C)Nc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c3C(=O)c4ccccc4C(=O)c13.CC(=O)[O-],CC(C)Nc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c3C(=O)c4ccccc4C(=O)c13.CC(=O)[O-],"InChI=1/C29H33N3O2.C2H4O2/c1-20(2)31-25-16-15-24(26-27(25)29(34)23-14-9-8-13-22(23)28(26)33)30-17-10-18-32(3,4)19-21-11-6-5-7-12-21;1-2(3)4/h5-9,11-16,20H,10,17-19H2,1-4H3,(H-,30,31,33,34);1H3,(H,3,4)",C29H34N3O2.C2H3O2,,,,,,OZTCPSOOOSCJBT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.101,284-842-6,84963-39-3,3-(phenethyl)pyridine-2-carboxamide,3-(2-phenylethyl)pyridine-2-carboxamide,NC(=O)c1ncccc1CCc2ccccc2,NC(=O)c1ncccc1CCc2ccccc2,"InChI=1/C14H14N2O/c15-14(17)13-12(7-4-10-16-13)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,15,17)",C14H14N2O,,,,,,PDHDODYVLUEHER-UHFFFAOYSA-N,,,,,,,,,,,
100.073.700,281-094-2,83863-33-6,5-iodo-o-toluidine,5-iodo-2-methylaniline,Cc1ccc(I)cc1N,Cc1ccc(I)cc1N,"InChI=1/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3",C7H8IN,,,,,,IOEHXNCBPIBDBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.708,281-104-5,83863-41-6,1-(o-tolyl)-4-(p-tolylsulphonyl)piperazine,1-(2-methylphenyl)-4-[(4-methylphenyl)sulfonyl]piperazine,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccccc3C,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccccc3C,"InChI=1/C18H22N2O2S/c1-15-7-9-17(10-8-15)23(21,22)20-13-11-19(12-14-20)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3",C18H22N2O2S,,,,,,DAOHTJRUMNXVJW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.715,281-111-3,83863-48-3,1-(p-tolylsulphonyl)-4-[3-(trifluoromethyl)phenyl]piperazine,1-[(4-methylphenyl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F,"InChI=1/C18H19F3N2O2S/c1-14-5-7-17(8-6-14)26(24,25)23-11-9-22(10-12-23)16-4-2-3-15(13-16)18(19,20)21/h2-8,13H,9-12H2,1H3",C18H19F3N2O2S,,,,,,VEUPAQDUEDZUAM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.716,281-112-9,83863-49-4,"Tribenzo[b,m,tuv]picene","tribenzo[b,m,tuv]picene",c1ccc2c(c1)ccc3c2ccc4c5ccc6cc7ccccc7c8ccc(cc34)c5c68,c1ccc2c(c1)ccc3c2ccc4c5ccc6cc7ccccc7c8ccc(cc34)c5c68,InChI=1/C32H18/c1-3-7-23-19(5-1)9-12-26-25(23)15-16-27-29-14-10-21-17-20-6-2-4-8-24(20)28-13-11-22(18-30(26)27)32(29)31(21)28/h1-18H,C32H18,,,,,,WNFITLYGBGPJJC-UHFFFAOYSA-N,,,,,,,,,,,
100.073.720,281-117-6,83863-53-0,Calcium 2-[[2-hydroxy-3-[[(3-nitrophenyl)amino]carbonyl]-1-naphthyl]azo]naphthalenesulphonate,calcium bis[2-({2-hydroxy-3-[(3-nitrophenyl)carbamoyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate],[Ca+2].[O-][N+](=O)c1cccc(c1)NC(=O)c5cc2ccccc2c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c5O.[O-][N+](=O)c1cccc(c1)NC(=O)c5cc2ccccc2c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c5O,[Ca+2].[O-][N+](=O)c1cccc(c1)NC(=O)c5cc2ccccc2c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c5O.[O-][N+](=O)c1cccc(c1)NC(=O)c5cc2ccccc2c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c5O,"InChI=1/2C27H18N4O7S.Ca/c2*32-25-22(27(33)28-18-8-5-9-19(15-18)31(34)35)14-17-7-2-3-10-20(17)24(25)30-29-23-13-12-16-6-1-4-11-21(16)26(23)39(36,37)38;/h2*1-15,32H,(H,28,33)(H,36,37,38);/q;;+2/p-2",C27H18N4O7S.1/2Ca,,,,,,SMOIIDYJANEKNQ-UHFFFAOYSA-L,,,,,,,,,,,
100.073.730,281-128-6,83863-63-2,Dibenzofuran-2-sulphonic acid,"dibenzo[b,d]furan-2-sulfonic acid",OS(=O)(=O)c1ccc2oc3ccccc3c2c1,OS(=O)(=O)c1ccc2oc3ccccc3c2c1,"InChI=1/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)",C12H8O4S,,,,,,JANFYPHFIPGYTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.731,281-129-1,83863-64-3,"7,9-dimethylspiro[5.5]undecan-3-one","7,9-dimethylspiro[5.5]undecan-3-one",CC1CCC2(CCC(=O)CC2)C(C)C1,CC1CCC2(CCC(=O)CC2)C(C)C1,"InChI=1/C13H22O/c1-10-3-6-13(11(2)9-10)7-4-12(14)5-8-13/h10-11H,3-9H2,1-2H3",C13H22O,,,,,,XZZRGHSODLRWGO-UHFFFAOYSA-N,,,,,,,,,,,
100.075.580,283-164-8,84540-69-2,"3-(2-imino-6-methyl-1(2H)-pyridyl)propane-1,2-diol monohydrochloride","3-(2-imino-6-methylpyridin-1(2H)-yl)propane-1,2-diol hydrochloride",Cl.CC1=CC=CC(=N)N1CC(O)CO,Cl.CC1=CC=CC(=N)N1CC(O)CO,"InChI=1/C9H14N2O2.ClH/c1-7-3-2-4-9(10)11(7)5-8(13)6-12;/h2-4,8,10,12-13H,5-6H2,1H3;1H",C9H14N2O2.ClH,,,,,,CLVJTUXZFPIYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.075.581,283-165-3,84540-70-5,"3-[[3-(dimethylamino)propyl]amino]propane-1,2-diol","3-{[3-(dimethylamino)propyl]amino}propane-1,2-diol",CN(C)CCCNCC(O)CO,CN(C)CCCNCC(O)CO,"InChI=1/C8H20N2O2/c1-10(2)5-3-4-9-6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3",C8H20N2O2,,,,,,RXFQHLJNQDJBEG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.583,283-167-4,84540-72-7,"15-amino-1-chloro-4,7,10,13-tetraazapentadecan-2-ol","1-amino-15-chloro-3,6,9,12-tetraazapentadecan-14-ol",NCCNCCNCCNCCNCC(O)CCl,NCCNCCNCCNCCNCC(O)CCl,"InChI=1/C11H28ClN5O/c12-9-11(18)10-17-8-7-16-6-5-15-4-3-14-2-1-13/h11,14-18H,1-10,13H2",C11H28ClN5O,,,,,,WNWFMFWNKLGZDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.075.592,283-177-9,84559-91-1,"Tetralithium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxynaphthalene-1,3-disulphonate]","tetralithium 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)",[Li+].[Li+].[Li+].[Li+].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Li+].[Li+].[Li+].[Li+].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H28N6O16S4.4Li/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H28N6O16S4.4Li,,,,,,GCHWTOJJMJLKAD-UHFFFAOYSA-J,,,,,,,,,,,
100.075.599,283-185-2,84559-98-8,3-(methylthio)propyl isovalerate,3-(methylsulfanyl)propyl 3-methylbutanoate,CSCCCOC(=O)CC(C)C,CSCCCOC(=O)CC(C)C,"InChI=1/C9H18O2S/c1-8(2)7-9(10)11-5-4-6-12-3/h8H,4-7H2,1-3H3",C9H18O2S,,,,,,XOTYBNFHVHYKJB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.961,270-378-1,68425-99-0,"N-[3-[[[(4,5-dihydro-2-phenyl-1H-imidazol-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-4,5-dihydro-2-phenyl-1H-imidazole-1-carboxamide","2-phenyl-N-[(1,3,3-trimethyl-5-{[(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)carbonyl]amino}cyclohexyl)methyl]-4,5-dihydro-1H-imidazole-1-carboxamide",CC1(C)CC(CC(C)(CNC(=O)N2CCN=C2c3ccccc3)C1)NC(=O)N4CCN=C4c5ccccc5,CC1(C)CC(CC(C)(CNC(=O)N2CCN=C2c3ccccc3)C1)NC(=O)N4CCN=C4c5ccccc5,"InChI=1/C30H38N6O2/c1-29(2)18-24(34-28(38)36-17-15-32-26(36)23-12-8-5-9-13-23)19-30(3,20-29)21-33-27(37)35-16-14-31-25(35)22-10-6-4-7-11-22/h4-13,24H,14-21H2,1-3H3,(H,33,37)(H,34,38)",C30H38N6O2,,,,,,UUVJJYOTIWVOBC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.963,270-380-2,68426-01-7,"Didecyl 2,2,4-trimethyladipate","didecyl 2,2,4-trimethylhexanedioate",CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C(=O)OCCCCCCCCCC,"InChI=1/C29H56O4/c1-6-8-10-12-14-16-18-20-22-32-27(30)24-26(3)25-29(4,5)28(31)33-23-21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3",C29H56O4,,,,,,ULIAJZKJMGCSRB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.964,270-381-8,68426-02-8,"3-[(6-amino-2,2,4-trimethylhexyl)amino]propanenitrile","3-[(6-amino-2,2,4-trimethylhexyl)amino]propanenitrile",CC(CCN)CC(C)(C)CNCCC#N,CC(CCN)CC(C)(C)CNCCC#N,"InChI=1/C12H25N3/c1-11(5-7-14)9-12(2,3)10-15-8-4-6-13/h11,15H,4-5,7-10,14H2,1-3H3",C12H25N3,,,,,,DKEVJDIVXRXIAG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.967,270-384-4,68426-05-1,[2-methoxy-2-[(3-phenylallyl)oxy]ethyl]benzene,[3-(1-methoxy-2-phenylethoxy)prop-1-en-1-yl]benzene,COC(Cc1ccccc1)OC\\C=C\\c2ccccc2,COC(Cc1ccccc1)OC\C=C\c2ccccc2,"InChI=1/C18H20O2/c1-19-18(15-17-11-6-3-7-12-17)20-14-8-13-16-9-4-2-5-10-16/h2-13,18H,14-15H2,1H3",C18H20O2,,,,,,DIBGDYHBYFMHED-MDWZMJQESA-N,,,,,,,,,,,
100.063.970,270-388-6,68426-08-4,"p-(2,2-dimethoxyethoxy)anisole","1-(2,2-dimethoxyethoxy)-4-methoxybenzene",COC(COc1ccc(OC)cc1)OC,COC(COc1ccc(OC)cc1)OC,"InChI=1/C11H16O4/c1-12-9-4-6-10(7-5-9)15-8-11(13-2)14-3/h4-7,11H,8H2,1-3H3",C11H16O4,,,,,,IXFSBZBRNIRRLO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.971,270-389-1,68426-09-5,(4-methoxyphenoxy)acetaldehyde,(4-methoxyphenoxy)acetaldehyde,COc1ccc(OCC=O)cc1,COc1ccc(OCC=O)cc1,"InChI=1/C9H10O3/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-6H,7H2,1H3",C9H10O3,,,,,,CUMIGPPRWNRSMW-UHFFFAOYSA-N,,,,,,,,,,,
100.066.787,273-487-2,68983-70-0,1-(4-methylphenyl)cyclopentane-1-carbonitrile,1-(4-methylphenyl)cyclopentanecarbonitrile,Cc1ccc(cc1)C2(CCCC2)C#N,Cc1ccc(cc1)C2(CCCC2)C#N,"InChI=1/C13H15N/c1-11-4-6-12(7-5-11)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3",C13H15N,,,,,,GTHMJIFNCGSBJT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.124,298-083-3,93777-51-6,"Lauric acid, compound with (Z)-octadec-9-en-1-amine (1:1)",dodecanoic acid - octadec-9-en-1-amine (1:1),CCCCCCCCCCCC(=O)O.CCCCCCCC\\C=C/CCCCCCCCN,CCCCCCCCCCCC(=O)O.CCCCCCCC\C=C/CCCCCCCCN,"InChI=1/C18H37N.C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h9-10H,2-8,11-19H2,1H3;2-11H2,1H3,(H,13,14)",C18H37N.C12H24O2,,,,,,FJCDGYBVXFBQSV-KVVVOXFISA-N,,,,,,,,,,,
100.090.761,299-884-0,93918-03-7,"4-[(2,4-diamino-5-methylphenyl)amino]phenol","4-[(2,4-diamino-5-methylphenyl)amino]phenol",Cc1cc(Nc2ccc(O)cc2)c(N)cc1N,Cc1cc(Nc2ccc(O)cc2)c(N)cc1N,"InChI=1/C13H15N3O/c1-8-6-13(12(15)7-11(8)14)16-9-2-4-10(17)5-3-9/h2-7,16-17H,14-15H2,1H3",C13H15N3O,,,,,,VDGHWKVBYSUBOM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.765,299-888-2,93918-07-1,Disodium 5-[[4-[[[4-[[dihydroxy[[2-hydroxy-5-[(3-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate,"disodium 5-({4-[(4-{[2,3-dihydroxy-4-({2-hydroxy-5-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}phenyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].Oc6c(N=Nc3ccc(NC(=O)c2ccc(N=Nc1cc(C([O-])=O)c(O)cc1)cc2)cc3)ccc(N=Nc5cc(N=Nc4cccc(c4)S([O-])(=O)=O)ccc5O)c6O,[Na+].[Na+].Oc6c(N=Nc3ccc(NC(=O)c2ccc(N=Nc1cc(C([O-])=O)c(O)cc1)cc2)cc3)ccc(N=Nc5cc(N=Nc4cccc(c4)S([O-])(=O)=O)ccc5O)c6O,"InChI=1/C38H27N9O10S.2Na/c48-33-16-12-26(19-29(33)38(53)54)43-40-23-6-4-21(5-7-23)37(52)39-22-8-10-24(11-9-22)41-45-30-14-15-31(36(51)35(30)50)46-47-32-20-27(13-17-34(32)49)44-42-25-2-1-3-28(18-25)58(55,56)57;;/h1-20,48-51H,(H,39,52)(H,53,54)(H,55,56,57);;/q;2*+1/p-2",C38H27N9O10S.2Na,,,,,,SCHLIKASAZGTRB-UHFFFAOYSA-L,,,,,,,,,,,
100.090.766,299-889-8,93918-09-3,Lithium 1-[2-(diethylamino)ethyl] 2-dodecenylsuccinate,lithium 3-{[2-(diethylamino)ethoxy]carbonyl}pentadec-5-enoate,[Li+].CCN(CCOC(=O)C(CC([O-])=O)CC=CCCCCCCCCC)CC,[Li+].CCN(CCOC(=O)C(CC([O-])=O)CC=CCCCCCCCCC)CC,"InChI=1/C22H41NO4.Li/c1-4-7-8-9-10-11-12-13-14-15-16-20(19-21(24)25)22(26)27-18-17-23(5-2)6-3;/h14-15,20H,4-13,16-19H2,1-3H3,(H,24,25);/q;+1/p-1",C22H41NO4.Li,,,,,,ALFDZZGINSAFGA-UHFFFAOYSA-M,,,,,,,,,,,
100.090.767,299-890-3,93918-10-6,"Potassium 3,5,5-trimethylhexanoate","potassium 3,5,5-trimethylhexanoate",[K+].CC(CC(=O)[O-])CC(C)(C)C,[K+].CC(CC(=O)[O-])CC(C)(C)C,"InChI=1/C9H18O2.K/c1-7(5-8(10)11)6-9(2,3)4;/h7H,5-6H2,1-4H3,(H,10,11);/q;+1/p-1",C9H18O2.K,,,,,,PMTWGKHDSHSGIL-UHFFFAOYSA-M,,,,,,,,,,,
100.090.344,299-425-4,93882-28-1,Potassium undecenoate,potassium undec-2-enoate,[K+].[O-]C(=O)C=CCCCCCCCC,[K+].[O-]C(=O)C=CCCCCCCCC,"InChI=1/C11H20O2.K/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h9-10H,2-8H2,1H3,(H,12,13);/q;+1/p-1",C11H20O2.K,,,,,,DFUZKAVMKJYQGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.527,299-626-7,93893-38-0,Potassium DL-alaninate,potassium 2-aminopropanoate,[K+].C[C@H](N)C(=O)[O-],[K+].C[C@H](N)C(=O)[O-],"InChI=1/C3H7NO2.K/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);/q;+1/p-1",C3H7NO2.K,,,,,,UJLZCNZPJMYEKF-DKWTVANSSA-M,,,,,,,,,,,
100.090.528,299-627-2,93893-39-1,"N2,N2-dimethyl-N6-(1-oxodecyl)-L-lysine","N~6~-decanoyl-N~2~,N~2~-dimethyl-L-lysine",CCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,CCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,"InChI=1/C18H36N2O3/c1-4-5-6-7-8-9-10-14-17(21)19-15-12-11-13-16(18(22)23)20(2)3/h16H,4-15H2,1-3H3,(H,19,21)(H,22,23)",C18H36N2O3,,,,,,LCZPOZSSUMKXJZ-INIZCTEOSA-N,,,,,,,,,,,
100.090.531,299-630-9,93893-42-6,"5-oxo-L-proline, compound with diethylamine (1:1)",5-oxo-L-proline - N-ethylethanamine (1:1),CCNCC.OC(=O)[C@@H]1CCC(=O)N1,CCNCC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C4H11N/c7-4-2-1-3(6-4)5(8)9;1-3-5-4-2/h3H,1-2H2,(H,6,7)(H,8,9);5H,3-4H2,1-2H3",C5H7NO3.C4H11N,,,,,,FMQPPKMMCJFCCQ-DFWYDOINSA-N,,,,,,,,,,,
100.092.550,301-850-8,94086-62-1,"3,4-dimethyloct-6-enyl isobutyrate","3,4-dimethyloct-6-en-1-yl 2-methylpropanoate",CC(C)C(=O)OCCC(C)C(C)CC=CC,CC(C)C(=O)OCCC(C)C(C)CC=CC,"InChI=1/C14H26O2/c1-6-7-8-12(4)13(5)9-10-16-14(15)11(2)3/h6-7,11-13H,8-10H2,1-5H3",C14H26O2,,,,,,ZJHFTQIXQYXSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.552,301-852-9,94086-64-3,"(S)-3,7-dimethyloct-6-enyl isovalerate","3,7-dimethyloct-6-en-1-yl 3-methylbutanoate",CC(C)CC(=O)OCC[C@@H](C)CCC=C(C)C,CC(C)CC(=O)OCC[C@@H](C)CCC=C(C)C,"InChI=1/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3",C15H28O2,,,,,,WZTNQQJXPYEGAF-AWEZNQCLSA-N,,,,,,,,,,,
100.092.555,301-856-0,94086-67-6,"Undecenoic acid, compound with 2-aminobutan-1-ol (1:1)",undec-2-enoic acid - 2-aminobutan-1-ol (1:1),OC(=O)C=CCCCCCCCC.CCC(N)CO,OC(=O)C=CCCCCCCCC.CCC(N)CO,"InChI=1/C11H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-4(5)3-6/h9-10H,2-8H2,1H3,(H,12,13);4,6H,2-3,5H2,1H3",C11H20O2.C4H11NO,,,,,,DOAAAMDFRRJVCP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.560,301-861-8,94086-72-3,N-[1-(hydroxymethyl)propyl]cinnamamide,N-[1-(hydroxymethyl)propyl]-3-phenylacrylamide,CCC(CO)NC(=O)\\C=C\\c1ccccc1,CCC(CO)NC(=O)\C=C\c1ccccc1,"InChI=1/C13H17NO2/c1-2-12(10-15)14-13(16)9-8-11-6-4-3-5-7-11/h3-9,12,15H,2,10H2,1H3,(H,14,16)",C13H17NO2,,,,,,HMZWQDVKGZGOKN-CMDGGOBGSA-N,,,,,,,,,,,
100.092.565,301-867-0,94086-77-8,Isopropyl 4-(4-aminophenyl)butyrate,isopropyl 4-(4-aminophenyl)butanoate,CC(C)OC(=O)CCCc1ccc(N)cc1,CC(C)OC(=O)CCCc1ccc(N)cc1,"InChI=1/C13H19NO2/c1-10(2)16-13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10H,3-5,14H2,1-2H3",C13H19NO2,,,,,,FWVZCPVWNAKKJH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.583,301-886-4,94086-96-1,Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium methyl sulphate,N-[2-(acryloyloxy)propyl]pentan-3-aminium methyl sulfate,CCC(CC)[NH2+]CC(C)OC(=O)C=C.COS(=O)(=O)[O-],CCC(CC)[NH2+]CC(C)OC(=O)C=C.COS(=O)(=O)[O-],"InChI=1/C11H21NO2.CH4O4S/c1-5-10(6-2)12-8-9(4)14-11(13)7-3;1-5-6(2,3)4/h7,9-10,12H,3,5-6,8H2,1-2,4H3;1H3,(H,2,3,4)",C11H22NO2.CH3O4S,,,,,,WMMQONALUHBHLM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.585,301-889-0,94086-98-3,"Octanoic acid, compound with cyclohexylamine (1:1)",octanoic acid - cyclohexanamine (1:1),CCCCCCCC(=O)O.NC1CCCCC1,CCCCCCCC(=O)O.NC1CCCCC1,"InChI=1/C8H16O2.C6H13N/c1-2-3-4-5-6-7-8(9)10;7-6-4-2-1-3-5-6/h2-7H2,1H3,(H,9,10);6H,1-5,7H2",C8H16O2.C6H13N,,,,,,JGHUVSBRTUITHC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.543,299-644-5,93893-54-0,"2-(1,1-dimethyl-2-phenylethyl)-1,3-dioxane","2-(1,1-dimethyl-2-phenylethyl)-1,3-dioxane",CC(C)(Cc1ccccc1)C2OCCCO2,CC(C)(Cc1ccccc1)C2OCCCO2,"InChI=1/C14H20O2/c1-14(2,13-15-9-6-10-16-13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3",C14H20O2,,,,,,XLBGULCFJZYKKW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.545,299-646-6,93893-56-2,N-formyl-L-threonine,N-formyl-L-threonine,CC(O)[C@H](NC=O)C(=O)O,CC(O)[C@H](NC=O)C(=O)O,"InChI=1/C5H9NO4/c1-3(8)4(5(9)10)6-2-7/h2-4,8H,1H3,(H,6,7)(H,9,10)",C5H9NO4,,,,,,XPMTWLZSOSJMDJ-BKLSDQPFSA-N,,,,,,,,,,,
100.090.548,299-649-2,93893-59-5,3-amino-4-hydroxy-N-[3-(1-methylethoxy)propyl]benzenesulphonamide,3-amino-4-hydroxy-N-(3-isopropoxypropyl)benzenesulfonamide,CC(C)OCCCNS(=O)(=O)c1ccc(O)c(N)c1,CC(C)OCCCNS(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C12H20N2O4S/c1-9(2)18-7-3-6-14-19(16,17)10-4-5-12(15)11(13)8-10/h4-5,8-9,14-15H,3,6-7,13H2,1-2H3",C12H20N2O4S,,,,,,TVJSIHWAQKKXKD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.549,299-650-8,93893-60-8,"3-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide","3-{4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonamide",[O-][N+](=O)c3cc(C)cc(N=NC2C(\\C)=N/N(c1cc(ccc1)S(N)(=O)=O)C2=O)c3O,[O-][N+](=O)c3cc(C)cc(N=NC2C(\C)=N/N(c1cc(ccc1)S(N)(=O)=O)C2=O)c3O,"InChI=1/C17H16N6O6S/c1-9-6-13(16(24)14(7-9)23(26)27)19-20-15-10(2)21-22(17(15)25)11-4-3-5-12(8-11)30(18,28)29/h3-8,15,24H,1-2H3,(H2,18,28,29)",C17H16N6O6S,,,,,,KWQRKHQALGGEBF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.473,275-343-4,71338-01-7,Bis(4-benzyloxyphenyl) sulphone,"1,1'-sulfonylbis[4-(benzyloxy)benzene]",O=S(=O)(c1ccc(OCc2ccccc2)cc1)c3ccc(OCc4ccccc4)cc3,O=S(=O)(c1ccc(OCc2ccccc2)cc1)c3ccc(OCc4ccccc4)cc3,"InChI=1/C26H22O4S/c27-31(28,25-15-11-23(12-16-25)29-19-21-7-3-1-4-8-21)26-17-13-24(14-18-26)30-20-22-9-5-2-6-10-22/h1-18H,19-20H2",C26H22O4S,,,,,,LLHLLWGYOABZJN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.474,275-345-5,71340-46-0,Diisopropyl glutarate,diisopropyl glutarate,CC(C)OC(=O)CCCC(=O)OC(C)C,CC(C)OC(=O)CCCC(=O)OC(C)C,"InChI=1/C11H20O4/c1-8(2)14-10(12)6-5-7-11(13)15-9(3)4/h8-9H,5-7H2,1-4H3",C11H20O4,,,,,,MSQKMFXJFBXZNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.483,275-354-4,71356-38-2,"1-(carboxylatomethyl)-1-(2-hydroxyethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1-oxodecyl)piperazinium","[1-(2-hydroxyethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoyl)piperazin-1-ium-1-yl]acetate",OCC[N+]1(CC(=O)[O-])CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCC[N+]1(CC(=O)[O-])CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C18H15F19N2O4/c19-10(20,9(43)38-1-3-39(4-2-38,5-6-40)7-8(41)42)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h40H,1-7H2",C18H15F19N2O4,,,,,,XZONSUWWBDTFJB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.486,275-358-6,71371-60-3,"Tridecyl hydrogen sulphate, compound with 2,2',2''-nitrilotris[ethanol] (1:1)","tridecyl hydrogen sulfate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO,"InChI=1/C13H28O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;8-4-1-7(2-5-9)3-6-10/h2-13H2,1H3,(H,14,15,16);8-10H,1-6H2",C13H28O4S.C6H15NO3,,,,,,JDKIORRVWBZTQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.073,276-003-8,71786-28-2,"13-chloro-17-isopropylanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione","13-chloro-17-isopropylanthra[2,1,9-mna]benzo[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione",CC(C)c1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccc(Cl)cc8c9nn(c1c5c24)c6c79,CC(C)c1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccc(Cl)cc8c9nn(c1c5c24)c6c79,"InChI=1/C34H19ClN2O2/c1-15(2)24-14-25-17-5-3-4-6-20(17)33(38)22-11-9-18-19-10-12-23-29-30(26-13-16(35)7-8-21(26)34(23)39)36-37(31(19)29)32(24)28(18)27(22)25/h3-15H,1-2H3",C34H19ClN2O2,,,,,,IZVKVZJVNCRAEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.089,276-021-6,71794-46-2,"2,2',2''-[nitrilotris(ethane-2,1-diyloxy)]trisethanol hydrochloride","2,2',2''-[nitrilotris(ethane-2,1-diyloxy)]triethanol hydrochloride",Cl.OCCOCCN(CCOCCO)CCOCCO,Cl.OCCOCCN(CCOCCO)CCOCCO,"InChI=1/C12H27NO6.ClH/c14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h14-16H,1-12H2;1H",C12H27NO6.ClH,,,,,,FWSMTAHWXMWHMO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.493,275-365-4,71401-58-6,"3-ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate","2-[3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",CCOC(=O)C1=NN(C(=O)C1)c2ccccc2S(=O)(=O)O,CCOC(=O)C1=NN(C(=O)C1)c2ccccc2S(=O)(=O)O,"InChI=1/C12H12N2O6S/c1-2-20-12(16)8-7-11(15)14(13-8)9-5-3-4-6-10(9)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)",C12H12N2O6S,,,,,,ZSUGVFBYVDWDDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.494,275-367-5,71411-63-7,"N-bromo-2,6-dichlorobenzamide","N-bromo-2,6-dichlorobenzamide",Clc1cccc(Cl)c1C(=O)NBr,Clc1cccc(Cl)c1C(=O)NBr,"InChI=1/C7H4BrCl2NO/c8-11-7(12)6-4(9)2-1-3-5(6)10/h1-3H,(H,11,12)",C7H4BrCl2NO,,,,,,DLZZEJRBGSKHOY-UHFFFAOYSA-N,,,,,,,,,,,
100.063.501,269-873-5,68368-41-2,"2,5-dichloro-3-nitrotoluene-4-sulphonic acid","3,6-dichloro-4-methyl-2-nitrobenzenesulfonic acid",Cc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])S(=O)(=O)O,Cc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H5Cl2NO5S/c1-3-2-4(8)7(16(13,14)15)6(5(3)9)10(11)12/h2H,1H3,(H,13,14,15)",C7H5Cl2NO5S,,,,,,UDOKNLFADJCCNE-UHFFFAOYSA-N,,,,,,,,,,,
100.063.503,269-875-6,68368-49-0,"Phosphoric acid, nonyl ester, compd. with 2,2',2''-nitrilotris[ethanol]","nonyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,CCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C9H21O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;8-4-1-7(2-5-9)3-6-10/h2-9H2,1H3,(H2,10,11,12);8-10H,1-6H2",-,,,,,,VOLBIZCIRFKLQV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.506,269-878-2,68373-14-8,Sulbactam,"3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide",CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O,CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O,"InChI=1/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)",C8H11NO5S,,,,,,FKENQMMABCRJMK-RITPCOANSA-N,,,,,,,,,,,
100.063.513,269-886-6,68385-79-5,N-[3-amino-4-(2-methoxyethoxy)phenyl]acetamide,N-[3-amino-4-(2-methoxyethoxy)phenyl]acetamide,COCCOc1ccc(NC(=O)C)cc1N,COCCOc1ccc(NC(=O)C)cc1N,"InChI=1/C11H16N2O3/c1-8(14)13-9-3-4-11(10(12)7-9)16-6-5-15-2/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)",C11H16N2O3,,,,,,HSOJAZLHMOYNJP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.101,276-034-7,71799-75-2,"1,5-diamino-2-(4-ethoxyphenyl)-4,8-dihydroxyanthraquinone","1,5-diamino-2-(4-ethoxyphenyl)-4,8-dihydroxy-9,10-anthraquinone",CCOc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N,CCOc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N,"InChI=1/C22H18N2O5/c1-2-29-11-5-3-10(4-6-11)12-9-15(26)18-19(20(12)24)22(28)17-14(25)8-7-13(23)16(17)21(18)27/h3-9,25-26H,2,23-24H2,1H3",C22H18N2O5,,,,,,PXJLVHHFOHMDIF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.109,276-043-6,71820-46-7,p-(1-octenyl)anisole,1-methoxy-4-oct-1-en-1-ylbenzene,COc1ccc(C=CCCCCCC)cc1,COc1ccc(C=CCCCCCC)cc1,"InChI=1/C15H22O/c1-3-4-5-6-7-8-9-14-10-12-15(16-2)13-11-14/h8-13H,3-7H2,1-2H3",C15H22O,,,,,,BGPUSBQKFGABPH-UHFFFAOYSA-N,,,,,,,,,,,
100.075.600,283-186-8,84559-99-9,"3,5,5-trimethylcyclohex-2-ene-1-carbaldehyde","3,5,5-trimethylcyclohex-2-ene-1-carbaldehyde",CC1=CC(CC(C)(C)C1)C=O,CC1=CC(CC(C)(C)C1)C=O,"InChI=1/C10H16O/c1-8-4-9(7-11)6-10(2,3)5-8/h4,7,9H,5-6H2,1-3H3",C10H16O,,,,,,YONAHFYUNJWCOX-UHFFFAOYSA-N,,,,,,,,,,,
100.075.610,283-197-8,84560-09-8,2-(diethylamino)ethyl a-(2-thienylmethyl)furan-2-propionate hydrochloride,2-(diethylamino)ethyl 3-(2-furyl)-2-(2-thienylmethyl)propanoate hydrochloride,Cl.CCN(CC)CCOC(=O)C(Cc1occc1)Cc2cccs2,Cl.CCN(CC)CCOC(=O)C(Cc1occc1)Cc2cccs2,"InChI=1/C18H25NO3S.ClH/c1-3-19(4-2)9-11-22-18(20)15(13-16-7-5-10-21-16)14-17-8-6-12-23-17;/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3;1H",C18H25NO3S.ClH,,,,,,JMXVIVVNSLWTJU-UHFFFAOYSA-N,,,,,,,,,,,
100.075.615,283-202-3,84560-14-5,"N-[5-[bis(3-phenylpropyl)amino]-2-[(2-cyano-4,6-dinitrophenyl)azo]phenyl]acetamide","N-{5-[bis(3-phenylpropyl)amino]-2-[(2-cyano-4,6-dinitrophenyl)diazenyl]phenyl}acetamide",[O-][N+](=O)c4cc(cc(C#N)c4N=Nc1ccc(cc1NC(C)=O)N(CCCc2ccccc2)CCCc3ccccc3)[N+]([O-])=O,[O-][N+](=O)c4cc(cc(C#N)c4N=Nc1ccc(cc1NC(C)=O)N(CCCc2ccccc2)CCCc3ccccc3)[N+]([O-])=O,"InChI=1/C33H31N7O5/c1-24(41)35-31-21-28(16-17-30(31)36-37-33-27(23-34)20-29(39(42)43)22-32(33)40(44)45)38(18-8-14-25-10-4-2-5-11-25)19-9-15-26-12-6-3-7-13-26/h2-7,10-13,16-17,20-22H,8-9,14-15,18-19H2,1H3,(H,35,41)",C33H31N7O5,,,,,,QHKDDUCPCAGZJB-UHFFFAOYSA-N,,,,,,,,,,,
100.071.868,279-079-0,79135-79-8,"Sodium 5-[[9,10-dihydro-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]-1-anthryl]amino]-2-ethoxybenzenesulphonate","sodium 5-({9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]-9,10-dihydroanthracen-1-yl}amino)-2-ethoxybenzenesulfonate",[Na+].CCOc1ccc(Nc2ccc(NC3CC(C)CC(C)(C)C3)c4C(=O)c5ccccc5C(=O)c24)cc1S(=O)(=O)[O-],[Na+].CCOc1ccc(Nc2ccc(NC3CC(C)CC(C)(C)C3)c4C(=O)c5ccccc5C(=O)c24)cc1S(=O)(=O)[O-],"InChI=1/C31H34N2O6S.Na/c1-5-39-25-13-10-19(15-26(25)40(36,37)38)32-23-11-12-24(33-20-14-18(2)16-31(3,4)17-20)28-27(23)29(34)21-8-6-7-9-22(21)30(28)35;/h6-13,15,18,20,32-33H,5,14,16-17H2,1-4H3,(H,36,37,38);/q;+1/p-1",C31H34N2O6S.Na,,,,,,ILMFZRGAFXBIQD-UHFFFAOYSA-M,,,,,,,,,,,
100.071.869,279-080-6,79135-80-1,"Trisodium 7-[[4-[[3-(aminosulphonyl)phenyl]amino]-6-anilino-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate","trisodium 7-({4-anilino-6-[(3-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7ccc(N=Nc3c(cc2cc(ccc2c3O)Nc6nc(Nc4ccccc4)nc(Nc5cc(ccc5)S(N)(=O)=O)n6)S([O-])(=O)=O)c(c7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7ccc(N=Nc3c(cc2cc(ccc2c3O)Nc6nc(Nc4ccccc4)nc(Nc5cc(ccc5)S(N)(=O)=O)n6)S([O-])(=O)=O)c(c7)S([O-])(=O)=O,"InChI=1/C37H29N11O12S4.3Na/c38-61(50,51)28-8-4-7-24(19-28)40-36-42-35(39-22-5-2-1-3-6-22)43-37(44-36)41-25-11-15-29-21(17-25)18-32(64(58,59)60)33(34(29)49)48-47-30-16-12-26(20-31(30)63(55,56)57)46-45-23-9-13-27(14-10-23)62(52,53)54;;;/h1-20,49H,(H2,38,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H3,39,40,41,42,43,44);;;/q;3*+1/p-3",C37H29N11O12S4.3Na,,,,,,TZEBJHPUOJWOMO-UHFFFAOYSA-K,,,,,,,,,,,
100.071.871,279-082-7,79135-82-3,"N-methyl-3-nitro-N-phenyl-4-[[4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]phenyl]amino]benzenesulphonamide","N-methyl-3-nitro-N-phenyl-4-({4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]phenyl}amino)benzenesulfonamide",CN(c1ccccc1)S(=O)(=O)c2ccc(Nc3ccc(Oc4ccc(cc4)C(C)(C)CC(C)(C)C)cc3)c(c2)[N+](=O)[O-],CN(c1ccccc1)S(=O)(=O)c2ccc(Nc3ccc(Oc4ccc(cc4)C(C)(C)CC(C)(C)C)cc3)c(c2)[N+](=O)[O-],"InChI=1/C33H37N3O5S/c1-32(2,3)23-33(4,5)24-12-16-27(17-13-24)41-28-18-14-25(15-19-28)34-30-21-20-29(22-31(30)36(37)38)42(39,40)35(6)26-10-8-7-9-11-26/h7-22,34H,23H2,1-6H3",C33H37N3O5S,,,,,,XCCIYECKBBTTIT-UHFFFAOYSA-N,,,,,,,,,,,
100.071.872,279-083-2,79135-83-4,"4-[[4'-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide","4-({3,3'-dimethoxy-4'-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]biphenyl-4-yl}diazenyl)-3-hydroxy-N-phenyl-2-naphthamide",O=C(Nc1ccccc1)c7cc2ccccc2c(N=Nc3ccc(cc3OC)c6ccc(N=NC5C(\\C)=N/N(c4ccccc4)C5=O)c(OC)c6)c7O,O=C(Nc1ccccc1)c7cc2ccccc2c(N=Nc3ccc(cc3OC)c6ccc(N=NC5C(\C)=N/N(c4ccccc4)C5=O)c(OC)c6)c7O,"InChI=1/C41H33N7O5/c1-25-37(41(51)48(47-25)30-15-8-5-9-16-30)45-43-33-20-18-26(23-35(33)52-2)27-19-21-34(36(24-27)53-3)44-46-38-31-17-11-10-12-28(31)22-32(39(38)49)40(50)42-29-13-6-4-7-14-29/h4-24,37,49H,1-3H3,(H,42,50)",C41H33N7O5,,,,,,LAEDPHHECLTIDV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.500,280-872-9,83803-54-7,Ethyl 3-methyl-3-nonyloxirane-2-carboxylate,ethyl 3-methyl-3-nonyloxirane-2-carboxylate,CCCCCCCCCC1(C)OC1C(=O)OCC,CCCCCCCCCC1(C)OC1C(=O)OCC,"InChI=1/C15H28O3/c1-4-6-7-8-9-10-11-12-15(3)13(18-15)14(16)17-5-2/h13H,4-12H2,1-3H3",C15H28O3,,,,,,YHCBZNQNUSFQOF-UHFFFAOYSA-N,,,,,,,,,,,
100.072.265,279-516-5,80621-17-6,Sodium 3-[methyl[3-[[(tridecafluorohexyl)sulphonyl]amino]propyl]amino]propanesulphonate,sodium 3-[methyl(3-{[(tridecafluorohexyl)sulfonyl]amino}propyl)amino]propane-1-sulfonate,[Na+].CN(CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS(=O)(=O)[O-],[Na+].CN(CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS(=O)(=O)[O-],"InChI=1/C13H17F13N2O5S2.Na/c1-28(6-3-7-34(29,30)31)5-2-4-27-35(32,33)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24;/h27H,2-7H2,1H3,(H,29,30,31);/q;+1/p-1",C13H17F13N2O5S2.Na,,,,,,IPXGZIINYLGNBN-UHFFFAOYSA-M,,,,,,,,,,,
100.090.353,299-435-9,93882-41-8,"N-[2-[4,5-dihydro-2-(pentadecenyl)-1H-imidazol-1-yl]ethyl]hexadecenamide","N-[2-(2-pentadec-1-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]hexadec-2-enamide",CCCCCCCCCCCCCC=CC(=O)NCCN1CC\\N=C1\\C=CCCCCCCCCCCCCC,CCCCCCCCCCCCCC=CC(=O)NCCN1CC\N=C1\C=CCCCCCCCCCCCCC,"InChI=1/C36H67N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-37-31-33-39(35)34-32-38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26,31-34H2,1-2H3,(H,38,40)",C36H67N3O,,,,,,NWNWLHTXOQRNML-UHFFFAOYSA-N,,,,,,,,,,,
100.090.354,299-436-4,93882-42-9,"N-[2-[2-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl]ethyl]octadecenamide","N-[2-(2-heptadec-1-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]octadec-2-enamide",CCCCCCCCCCCCCCCC=CC(=O)NCCN1CC\\N=C1\\C=CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC=CC(=O)NCCN1CC\N=C1\C=CCCCCCCCCCCCCCCC,"InChI=1/C40H75N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30,35-38H2,1-2H3,(H,42,44)",C40H75N3O,,,,,,QBKYKLLNSADWFU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.360,299-443-2,93882-48-5,Octadecenyl icosenoate,octadec-1-en-1-yl icos-2-enoate,CCCCCCCCCCCCCCCCCC=CC(=O)OC=CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC=CC(=O)OC=CCCCCCCCCCCCCCCCC,"InChI=1/C38H72O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h34-37H,3-33H2,1-2H3",C38H72O2,,,,,,HYAVVCFXEHQUHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.361,299-444-8,93882-50-9,"Dioctadecenyl-4,15-dioxo-5,8,11,14-tetraoxaoctadecanedioic acid","2,2-dioctadec-1-en-1-yl-4,15-dioxo-5,8,11,14-tetraoxaoctadecane-1,18-dioic acid",O=C(OCCOCCOCCOC(=O)CC(C=CCCCCCCCCCCCCCCCC)(C=CCCCCCCCCCCCCCCCC)C(O)=O)CCC(O)=O,O=C(OCCOCCOCCOC(=O)CC(C=CCCCCCCCCCCCCCCCC)(C=CCCCCCCCCCCCCCCCC)C(O)=O)CCC(O)=O,"InChI=1/C50H90O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-50(49(55)56,38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)45-48(54)60-44-42-58-40-39-57-41-43-59-47(53)36-35-46(51)52/h33-34,37-38H,3-32,35-36,39-45H2,1-2H3,(H,51,52)(H,55,56)",C50H90O10,,,,,,CRNLBIMWGHRNME-UHFFFAOYSA-N,,,,,,,,,,,
100.090.364,299-447-4,93882-56-5,"(octahydro-4,7-methano-1H-inden-5-yl) hydrogen 2-octadecenylsuccinate","3-[(octahydro-1H-4,7-methanoinden-5-yloxy)carbonyl]henicos-5-enoate",[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OC3CC1CC3C2CCCC12,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OC3CC1CC3C2CCCC12,"InChI=1/C32H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25(24-31(33)34)32(35)36-30-23-26-22-29(30)28-21-18-20-27(26)28/h16-17,25-30H,2-15,18-24H2,1H3,(H,33,34)/p-1",C32H54O4,,,,,,HTBWUGSIMJUCLG-UHFFFAOYSA-M,,,,,,,,,,,
100.090.370,299-454-2,93882-67-8,Benzyl hydrogen 2-octadecenylsuccinate,3-[(benzyloxy)carbonyl]henicos-5-enoate,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCc1ccccc1,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCc1ccccc1,"InChI=1/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(24-28(30)31)29(32)33-25-26-21-18-17-19-22-26/h16-22,27H,2-15,23-25H2,1H3,(H,30,31)/p-1",C29H46O4,,,,,,BDMDMLPBHWPBFP-UHFFFAOYSA-M,,,,,,,,,,,
100.090.371,299-455-8,93882-69-0,Ethyl hydrogen 2-octadecenylsuccinate,3-(ethoxycarbonyl)henicos-5-enoate,CCOC(=O)C(CC=CCCCCCCCCCCCCCCC)CC([O-])=O,CCOC(=O)C(CC=CCCCCCCCCCCCCCCC)CC([O-])=O,"InChI=1/C24H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(25)26)24(27)28-4-2/h18-19,22H,3-17,20-21H2,1-2H3,(H,25,26)/p-1",C24H44O4,,,,,,XIIDADMOYIKAKW-UHFFFAOYSA-M,,,,,,,,,,,
100.092.004,301-251-1,93982-62-8,"Disodium 4-amino-3,6-bis[[4-[(2,4-dihydroxyphenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-amino-3,6-bis({4-[(2,4-dihydroxyphenyl)diazenyl]phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc6cc(O)ccc6N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(N=Nc1ccc(O)cc1O)cc2)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5,[Na+].[Na+].Oc6cc(O)ccc6N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(N=Nc1ccc(O)cc1O)cc2)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5,"InChI=1/C34H25N9O11S2.2Na/c35-31-30-17(13-28(55(49,50)51)32(31)42-38-20-5-1-18(2-6-20)36-40-24-11-9-22(44)15-26(24)46)14-29(56(52,53)54)33(34(30)48)43-39-21-7-3-19(4-8-21)37-41-25-12-10-23(45)16-27(25)47;;/h1-16,44-48H,35H2,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2",C34H25N9O11S2.2Na,,,,,,DUFWQUFULXKISO-UHFFFAOYSA-L,,,,,,,,,,,
100.092.009,301-256-9,93982-67-3,Tetrasodium 5-[[4-[2-[4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]phenyl]-NNO-azoxy]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-ONN-azoxy]salicylate,tetrasodium 5-[(4-{[4-(2-{4-[(3-carboxylato-4-hydroxyphenyl)-NNO-azoxy]-2-sulfonatophenyl}vinyl)-3-sulfonatophenyl]-ONN-azoxy}phenyl)diazenyl]-2-hydroxybenzoate,[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc5ccc(/N=[N+](/[O-])c4ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)[N+](\\[O-])=N\\c3cc(C([O-])=O)c(O)cc3)c(c4)S([O-])(=O)=O)cc5,[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc5ccc(/N=[N+](/[O-])c4ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)[N+](\[O-])=N\c3cc(C([O-])=O)c(O)cc3)c(c4)S([O-])(=O)=O)cc5,"InChI=1/C34H24N6O14S2.4Na/c41-29-13-9-23(15-27(29)33(43)44)36-35-21-5-7-22(8-6-21)37-39(47)25-11-3-19(31(17-25)55(49,50)51)1-2-20-4-12-26(18-32(20)56(52,53)54)40(48)38-24-10-14-30(42)28(16-24)34(45)46;;;;/h1-18,41-42H,(H,43,44)(H,45,46)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H24N6O14S2.4Na,,,,,,WZGXIUTXUBRHKM-GGBDKULTSA-J,,,,,,,,,,,
100.092.945,302-286-5,94107-53-6,Sodium hydrazinoacetate,sodium hydrazinoacetate,[Na+].NNCC(=O)[O-],[Na+].NNCC(=O)[O-],"InChI=1/C2H6N2O2.Na/c3-4-1-2(5)6;/h4H,1,3H2,(H,5,6);/q;+1/p-1",C2H6N2O2.Na,,,,,,RJWQDSMAOLFRGR-UHFFFAOYSA-M,,,,,,,,,,,
100.090.551,299-652-9,93893-62-0,"5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-6-hydroxynaphthalene-1-sulphonic acid","6-hydroxy-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid",OS(=O)(=O)c4cccc3c4ccc(O)c3N=NC2C(\\C)=N/N(c1ccccc1)C2=O,OS(=O)(=O)c4cccc3c4ccc(O)c3N=NC2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C20H16N4O5S/c1-12-18(20(26)24(23-12)13-6-3-2-4-7-13)21-22-19-15-8-5-9-17(30(27,28)29)14(15)10-11-16(19)25/h2-11,18,25H,1H3,(H,27,28,29)",C20H16N4O5S,,,,,,VQQVOVNXPALKHE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.560,299-662-3,93893-71-1,"2,2'-methylenebis[6-cyclooctyl-p-cresol]","2,2'-methylenebis(6-cyclooctyl-4-methylphenol)",Cc1cc(Cc2cc(C)cc(C3CCCCCCC3)c2O)c(O)c(c1)C4CCCCCCC4,Cc1cc(Cc2cc(C)cc(C3CCCCCCC3)c2O)c(O)c(c1)C4CCCCCCC4,"InChI=1/C31H44O2/c1-22-17-26(30(32)28(19-22)24-13-9-5-3-6-10-14-24)21-27-18-23(2)20-29(31(27)33)25-15-11-7-4-8-12-16-25/h17-20,24-25,32-33H,3-16,21H2,1-2H3",C31H44O2,,,,,,UENGFOPWDIIZTB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.562,299-664-4,93893-73-3,4-hydroxy-N-isopropyl-3-nitrobenzenesulphonamide,4-hydroxy-N-isopropyl-3-nitrobenzenesulfonamide,CC(C)NS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],CC(C)NS(=O)(=O)c1ccc(O)c(c1)[N+](=O)[O-],"InChI=1/C9H12N2O5S/c1-6(2)10-17(15,16)7-3-4-9(12)8(5-7)11(13)14/h3-6,10,12H,1-2H3",C9H12N2O5S,,,,,,PWONTUXZZVKGDR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.563,299-666-5,93893-74-4,1-benzyl-5-ethyl-2-methylpyridinium chloride,1-benzyl-5-ethyl-2-methylpyridinium chloride,[Cl-].CCc1ccc(C)[n+](Cc2ccccc2)c1,[Cl-].CCc1ccc(C)[n+](Cc2ccccc2)c1,"InChI=1/C15H18N.ClH/c1-3-14-10-9-13(2)16(11-14)12-15-7-5-4-6-8-15;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1",C15H18N.Cl,,,,,,GUEPTLJJMZGRNU-UHFFFAOYSA-M,,,,,,,,,,,
100.090.570,299-673-3,93893-81-3,Benzyldiethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride,"2-(acryloyloxy)-N-benzyl-N,N-diethylpropan-1-aminium chloride",[Cl-].CC[N+](CC)(CC(C)OC(=O)C=C)Cc1ccccc1,[Cl-].CC[N+](CC)(CC(C)OC(=O)C=C)Cc1ccccc1,"InChI=1/C17H26NO2.ClH/c1-5-17(19)20-15(4)13-18(6-2,7-3)14-16-11-9-8-10-12-16;/h5,8-12,15H,1,6-7,13-14H2,2-4H3;1H/q+1;/p-1",C17H26NO2.Cl,,,,,,IGTCXXWHHMXOGL-UHFFFAOYSA-M,,,,,,,,,,,
100.092.597,301-904-0,94087-11-3,Sodium (Z)-N-[2-[(2-hydroxyethyl)(1-oxo-9-octadecenyl)amino]ethyl]glycinate,sodium ({2-[(2-hydroxyethyl)(oleoyl)amino]ethyl}amino)acetate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCO)CCNCC(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)N(CCO)CCNCC(=O)[O-],"InChI=1/C24H46N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)26(20-21-27)19-18-25-22-24(29)30;/h9-10,25,27H,2-8,11-22H2,1H3,(H,29,30);/q;+1/p-1",C24H46N2O4.Na,,,,,,MMVRYQHLZLIJHK-KVVVOXFISA-M,,,,,,,,,,,
100.092.599,301-906-1,94087-13-5,1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]acryloyl]oxy]ethyl]-1-methyl-1H-imidazolium 2-ethylhexanoate,1-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 2-ethylhexanoate,CCCCC(CC)C(=O)[O-].CCN(CC)c1ccc(\\C=C(\\C#N)/C(=O)OCC[N+]2(C)C=CN=C2)cc1,CCCCC(CC)C(=O)[O-].CCN(CC)c1ccc(\C=C(\C#N)/C(=O)OCC[N+]2(C)C=CN=C2)cc1,"InChI=1/C20H25N4O2.C8H16O2/c1-4-23(5-2)19-8-6-17(7-9-19)14-18(15-21)20(25)26-13-12-24(3)11-10-22-16-24;1-3-5-6-7(4-2)8(9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1",C20H25N4O2.C8H15O2,,,,,,MZGVPGWUOCLKRY-NYAKATHWSA-M,,,,,,,,,,,
100.092.604,301-911-9,94087-19-1,7-(7-dodecenyl)quinolin-8-ol,7-dodec-7-en-1-ylquinolin-8-ol,Oc1c(ccc2cccnc12)CCCCCCC=CCCCC,Oc1c(ccc2cccnc12)CCCCCCC=CCCCC,"InChI=1/C21H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-15-18-14-12-17-22-20(18)21(19)23/h5-6,12,14-17,23H,2-4,7-11,13H2,1H3",C21H29NO,,,,,,HUUKLNYZHHNMTB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.606,301-914-5,94087-21-5,"5-oxo-DL-proline, compound with 2,2'-iminodiethanol (1:1)","5-oxo-L-proline - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)[C@@H]1CCC(=O)N1,OCCNCCO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C4H11NO2/c7-4-2-1-3(6-4)5(8)9;6-3-1-5-2-4-7/h3H,1-2H2,(H,6,7)(H,8,9);5-7H,1-4H2",C5H7NO3.C4H11NO2,,,,,,YMQMGKYFMSBEMW-DFWYDOINSA-N,,,,,,,,,,,
100.092.614,301-922-9,94087-29-3,"3-(1,2-benzisothiazol-3-yloxy)-N,N,2-trimethylpropylamine","3-(1,2-benzisothiazol-3-yloxy)-N,N,2-trimethylpropan-1-amine",CC(COc1nsc2ccccc12)CN(C)C,CC(COc1nsc2ccccc12)CN(C)C,"InChI=1/C13H18N2OS/c1-10(8-15(2)3)9-16-13-11-6-4-5-7-12(11)17-14-13/h4-7,10H,8-9H2,1-3H3",C13H18N2OS,,,,,,SHFVVLRIJMFSIG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.616,301-925-5,94087-31-7,"2-(1,2-benzisothiazol-3-yloxy)-N,N-dimethylpropylamine","2-(1,2-benzisothiazol-3-yloxy)-N,N-dimethylpropan-1-amine",CC(CN(C)C)Oc1nsc2ccccc12,CC(CN(C)C)Oc1nsc2ccccc12,"InChI=1/C12H16N2OS/c1-9(8-14(2)3)15-12-10-6-4-5-7-11(10)16-13-12/h4-7,9H,8H2,1-3H3",C12H16N2OS,,,,,,RPTSTYWJKBQOIF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.618,301-927-6,94087-33-9,"3-(1,2-benzisothiazol-3-yloxy)propylamine","3-(1,2-benzisothiazol-3-yloxy)propan-1-amine",NCCCOc1nsc2ccccc12,NCCCOc1nsc2ccccc12,"InChI=1/C10H12N2OS/c11-6-3-7-13-10-8-4-1-2-5-9(8)14-12-10/h1-2,4-5H,3,6-7,11H2",C10H12N2OS,,,,,,KZXQYJVAEAGIEO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.575,299-679-6,93893-86-8,[3-(allyloxy)-2-hydroxypropyl]guanidine,1-[3-(allyloxy)-2-hydroxypropyl]guanidine,NC(=N)NCC(O)COCC=C,NC(=N)NCC(O)COCC=C,"InChI=1/C7H15N3O2/c1-2-3-12-5-6(11)4-10-7(8)9/h2,6,11H,1,3-5H2,(H4,8,9,10)",C7H15N3O2,,,,,,GAUBBDJSGNOAHW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.576,299-680-1,93893-87-9,3-allyloxy-2-hydroxypropyl acetoacetate,3-(allyloxy)-2-hydroxypropyl 3-oxobutanoate,CC(=O)CC(=O)OCC(O)COCC=C,CC(=O)CC(=O)OCC(O)COCC=C,"InChI=1/C10H16O5/c1-3-4-14-6-9(12)7-15-10(13)5-8(2)11/h3,9,12H,1,4-7H2,2H3",C10H16O5,,,,,,OZIOEOAGXXYJLL-UHFFFAOYSA-N,,,,,,,,,,,
100.065.303,271-855-7,68610-26-4,"1-Propanamine, 3-(C12-15-alkyloxy) derivs.",3-(tridecyloxy)propan-1-amine,CCCCCCCCCCCCCOCCCN,CCCCCCCCCCCCCOCCCN,"InChI=1/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-17H2,1H3",-,,,,,,JPNCZSADMGXVPA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.058,273-785-2,69013-34-9,"N-methyl-4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl]oxy]-N-[2-(phosphonooxy)ethyl]benzenesulphonamide","2-{methyl[(4-{[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-en-1-yl]oxy}phenyl)sulfonyl]amino}ethyl dihydrogen phosphate",FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S(=O)(=O)N(C)CCOP(O)(O)=O)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S(=O)(=O)N(C)CCOP(O)(O)=O)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C19H13F19NO7PS/c1-39(6-7-45-47(40,41)42)48(43,44)9-4-2-8(3-5-9)46-11(14(23,24)25)10(13(20,21)22)12(17(30,31)32,15(26,27)18(33,34)35)16(28,29)19(36,37)38/h2-5H,6-7H2,1H3,(H2,40,41,42)",C19H13F19NO7PS,,,,,,PUQQCLQURHMROM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.060,273-787-3,69016-12-2,Methyl 2-cyano-2-(cyclohex-1-enyl)propionate,methyl 2-cyano-2-cyclohex-1-en-1-ylpropanoate,COC(=O)C(C)(C#N)C1=CCCCC1,COC(=O)C(C)(C#N)C1=CCCCC1,"InChI=1/C11H15NO2/c1-11(8-12,10(13)14-2)9-6-4-3-5-7-9/h6H,3-5,7H2,1-2H3",C11H15NO2,,,,,,AMOPLTIGAMSRMW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.562,269-939-3,68391-28-6,4-isopropyl-1-methyl-7-thiabicyclo[2.2.1]heptane,1-isopropyl-4-methyl-7-thiabicyclo[2.2.1]heptane,CC(C)C12CCC(C)(CC1)S2,CC(C)C12CCC(C)(CC1)S2,"InChI=1/C10H18S/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3",C10H18S,,,,,,PUQONFDEJWVBAS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.564,269-941-4,68391-30-0,[7-hydroxy-8-[(2-methoxyphenyl)azo]-2-naphthyl]trimethylammonium chloride,"7-hydroxy-8-[(2-methoxyphenyl)diazenyl]-N,N,N-trimethylnaphthalen-2-aminium chloride",[Cl-].COc3ccccc3N=Nc1c2cc(ccc2ccc1O)[N+](C)(C)C,[Cl-].COc3ccccc3N=Nc1c2cc(ccc2ccc1O)[N+](C)(C)C,"InChI=1/C20H21N3O2.ClH/c1-23(2,3)15-11-9-14-10-12-18(24)20(16(14)13-15)22-21-17-7-5-6-8-19(17)25-4;/h5-13H,1-4H3;1H",C20H22N3O2.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17304,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.564,HSWXSHNPRUMJKI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.567,269-945-6,68391-33-3,Sodium o-chloro-a-hydroxytoluene-a-sulphonate,sodium (2-chlorophenyl)(hydroxy)methanesulfonate,[Na+].OC(c1ccccc1Cl)S(=O)(=O)[O-],[Na+].OC(c1ccccc1Cl)S(=O)(=O)[O-],"InChI=1/C7H7ClO4S.Na/c8-6-4-2-1-3-5(6)7(9)13(10,11)12;/h1-4,7,9H,(H,10,11,12);/q;+1/p-1",C7H7ClO4S.Na,,,,,,GNTOAAUIGPMRQD-UHFFFAOYSA-M,,,,,,,,,,,
100.063.574,269-952-4,68391-44-6,"2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthyl]amino]ethanol","2-({4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthyl}amino)ethanol",Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCO)c1ccccc12)[N+]([O-])=O,Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCCO)c1ccccc12)[N+]([O-])=O,"InChI=1/C18H14BrN5O5/c19-14-9-11(23(26)27)10-17(24(28)29)18(14)22-21-16-6-5-15(20-7-8-25)12-3-1-2-4-13(12)16/h1-6,9-10,20,25H,7-8H2",C18H14BrN5O5,,,,,,VWGJTRUCDOJLSW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.110,273-842-1,69038-78-4,Octyl cinnamate,octyl 3-phenylacrylate,CCCCCCCCOC(=O)\\C=C\\c1ccccc1,CCCCCCCCOC(=O)\C=C\c1ccccc1,"InChI=1/C17H24O2/c1-2-3-4-5-6-10-15-19-17(18)14-13-16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3",C17H24O2,,,,,,VIKVSUVYUVJHOA-BUHFOSPRSA-N,,,,,,,,,,,
100.067.117,273-850-5,69060-00-0,"[4-[bis[3-(carboxymethyl)-4-methoxyphenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium","N-(4-{bis[3-(carboxymethyl)-4-methoxyphenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium",COc1ccc(cc1CC(=O)O)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(OC)c(CC(=O)O)c3,COc1ccc(cc1CC(=O)O)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(OC)c(CC(=O)O)c3,"InChI=1/C27H27NO6/c1-28(2)22-9-5-17(6-10-22)27(18-7-11-23(33-3)20(13-18)15-25(29)30)19-8-12-24(34-4)21(14-19)16-26(31)32/h5-14H,15-16H2,1-4H3,(H-,29,30,31,32)/p+1",C27H28NO6,,,,,,MGMYROMQJFVQNK-UHFFFAOYSA-O,,,,,,,,,,,
100.067.119,273-852-6,69064-20-6,Titanium methacrylate,titanium(2+) bis(2-methylacrylate),[Ti+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Ti+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Ti/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.xTi,,,,,,CGBZRHAMIONUFA-UHFFFAOYSA-L,,,,,,,,,,,
100.067.124,273-857-3,69075-62-3,"2-(1,1-dimethylethyl)-4-[[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]thio]-5-methylphenyl 3-(dodecylthio)propionate",2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl]-5-methylphenyl 3-(dodecylsulfanyl)propanoate,CCCCCCCCCCCCSCCC(=O)Oc1cc(C)c(Sc2cc(c(O)cc2C)C(C)(C)C)cc1C(C)(C)C,CCCCCCCCCCCCSCCC(=O)Oc1cc(C)c(Sc2cc(c(O)cc2C)C(C)(C)C)cc1C(C)(C)C,"InChI=1/C37H58O3S2/c1-10-11-12-13-14-15-16-17-18-19-21-41-22-20-35(39)40-32-24-28(3)34(26-30(32)37(7,8)9)42-33-25-29(36(4,5)6)31(38)23-27(33)2/h23-26,38H,10-22H2,1-9H3",C37H58O3S2,,,,,,JGLKESSHJGLOFL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.751,276-749-4,72639-27-1,"1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium acetate","1-ethyl-2-[1-(2-hydroxyethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl]benzo[cd]indolium acetate",CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.CC(=O)[O-],CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.CC(=O)[O-],"InChI=1/C27H31N2O.C2H4O2/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-2(3)4/h6-13,16,18,30H,5,14-15,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C27H31N2O.C2H3O2,,,,,,GSWDAOPPXCDXHZ-UHFFFAOYSA-M,,,,,,,,,,,
100.072.276,279-528-0,80666-03-1,"1,3-dihydro-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1-ol","6,7-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol",COc1ccc2C(OC(O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34,COc1ccc2C(OC(O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34,"InChI=1/C22H25NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18,22,24H,7-8,10H2,1-4H3",C22H25NO7,,,,,,TZNFGVJRQISOHK-UHFFFAOYSA-N,,,,,,,,,,,
100.072.280,279-532-2,80699-63-4,4-methyldecan-1-al,4-methyldecanal,CCCCCCC(C)CCC=O,CCCCCCC(C)CCC=O,"InChI=1/C11H22O/c1-3-4-5-6-8-11(2)9-7-10-12/h10-11H,3-9H2,1-2H3",C11H22O,,,,,,UASJZAYRKLUVLT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.286,279-539-0,80756-32-7,"S-2-pyridyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate","S-pyridin-2-yl (2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate",CO\\N=C(/C(=O)Sc1ccccn1)\\c2csc(N)n2,CO\N=C(/C(=O)Sc1ccccn1)\c2csc(N)n2,"InChI=1/C11H10N4O2S2/c1-17-15-9(7-6-18-11(12)14-7)10(16)19-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)",C11H10N4O2S2,,,,,,YUPSQTMMUIIVFP-DHDCSXOGSA-N,,,,,,,,,,,
100.072.294,279-547-4,80789-64-6,"1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene","1,2,3,4,5,6,7,8,9,10,11,12,13,13,14,14-hexadecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene",ClC1=C(Cl)C2(Cl)C3C(C4C(c5c(Cl)c(Cl)c(Cl)c(Cl)c35)C6(Cl)C(=C(Cl)C4(Cl)C6(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C(C4C(c5c(Cl)c(Cl)c(Cl)c(Cl)c35)C6(Cl)C(=C(Cl)C4(Cl)C6(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,"InChI=1/C20H4Cl16/c21-7-1-2(8(22)10(24)9(7)23)4-6(18(32)14(28)12(26)16(4,30)20(18,35)36)5-3(1)15(29)11(25)13(27)17(5,31)19(15,33)34/h3-6H",C20H4Cl16,,,,,,TYLICGTWUJQTQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.295,279-549-5,80789-65-7,"10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene","10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene",ClC1=C(Cl)C2(Cl)C3C(C4C(c5cc(Br)ccc35)C6(Cl)C(=C(Cl)C4(Cl)C6(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,ClC1=C(Cl)C2(Cl)C3C(C4C(c5cc(Br)ccc35)C6(Cl)C(=C(Cl)C4(Cl)C6(Cl)Cl)Cl)C1(Cl)C2(Cl)Cl,"InChI=1/C20H7BrCl12/c21-4-1-2-5-6(3-4)8-10(18(29)14(25)12(23)16(8,27)20(18,32)33)9-7(5)15(26)11(22)13(24)17(9,28)19(15,30)31/h1-3,7-10H",C20H7BrCl12,,,,,,PTMATSFDFVDHSL-UHFFFAOYSA-N,,,,,,,,,,,
100.072.296,279-550-0,80789-66-8,N-cyclodecylmethylamine,N-methylcyclodecanamine,CNC1CCCCCCCCC1,CNC1CCCCCCCCC1,"InChI=1/C11H23N/c1-12-11-9-7-5-3-2-4-6-8-10-11/h11-12H,2-10H2,1H3",C11H23N,,,,,,BOYGZZJDNIMQTC-UHFFFAOYSA-N,,,,,,,,,,,
100.072.297,279-551-6,80789-68-0,4-bromoanilinium bromide,4-bromoanilinium bromide,[Br-].[NH3+]c1ccc(Br)cc1,[Br-].[NH3+]c1ccc(Br)cc1,"InChI=1/C6H6BrN.BrH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H",C6H6BrN.BrH,,,,,,RVAONSPSAAMUMY-UHFFFAOYSA-N,,,,,,,,,,,
100.072.298,279-552-1,80789-69-1,1-(4-chlorophenyl)cyclopentanecarboxylic acid,1-(4-chlorophenyl)cyclopentanecarboxylic acid,OC(=O)C1(CCCC1)c2ccc(Cl)cc2,OC(=O)C1(CCCC1)c2ccc(Cl)cc2,"InChI=1/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)",C12H13ClO2,,,,,,QJNFJEMGWIQMJT-UHFFFAOYSA-N,,,,,,,,,,,
100.072.300,279-554-2,80789-72-6,"2,6-dimethoxypyridin-3-amine monohydrochloride","2,6-dimethoxypyridin-3-amine hydrochloride",Cl.COc1ccc(N)c(OC)n1,Cl.COc1ccc(N)c(OC)n1,"InChI=1/C7H10N2O2.ClH/c1-10-6-4-3-5(8)7(9-6)11-2;/h3-4H,8H2,1-2H3;1H",C7H10N2O2.ClH,,,,,,FITCPYYVAJWASG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.301,279-555-8,80789-73-7,N-(phenylsulphonyl)sulphanilamide,4-amino-N-(phenylsulfonyl)benzenesulfonamide,Nc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c2ccccc2,Nc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c2ccccc2,"InChI=1/C12H12N2O4S2/c13-10-6-8-12(9-7-10)20(17,18)14-19(15,16)11-4-2-1-3-5-11/h1-9,14H,13H2",C12H12N2O4S2,,,,,,TXWROWPXUQZXFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.072.302,279-556-3,80789-75-9,1-(4-methylphenyl)cyclopentanecarboxylic acid,1-(4-methylphenyl)cyclopentanecarboxylic acid,Cc1ccc(cc1)C2(CCCC2)C(=O)O,Cc1ccc(cc1)C2(CCCC2)C(=O)O,"InChI=1/C13H16O2/c1-10-4-6-11(7-5-10)13(12(14)15)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)",C13H16O2,,,,,,YKDWTRWSHHGVII-UHFFFAOYSA-N,,,,,,,,,,,
100.073.732,281-130-7,83863-65-4,3-methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile,3-methyl-1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidine-4-carbonitrile,CC1CN(CCC1(C#N)c2ccccc2)S(=O)(=O)c3ccc(C)cc3,CC1CN(CCC1(C#N)c2ccccc2)S(=O)(=O)c3ccc(C)cc3,"InChI=1/C20H22N2O2S/c1-16-8-10-19(11-9-16)25(23,24)22-13-12-20(15-21,17(2)14-22)18-6-4-3-5-7-18/h3-11,17H,12-14H2,1-2H3",C20H22N2O2S,,,,,,XFZXKHZEHPBOOY-UHFFFAOYSA-N,,,,,,,,,,,
100.073.736,281-134-9,83863-69-8,cis-4-amino-5-chloro-2-methoxy-N-(3-methoxy-4-piperidyl)benzamide,4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide,COC1CNCCC1NC(=O)c2cc(Cl)c(N)cc2OC,COC1CNCCC1NC(=O)c2cc(Cl)c(N)cc2OC,"InChI=1/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)",C14H20ClN3O3,,,,,,OMLDMGPCWMBPAN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.948,302-289-1,94107-56-9,N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-p-toluenesulphonamide,N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3ccccc3Cl)[N+](=O)[O-],Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3ccccc3Cl)[N+](=O)[O-],"InChI=1/C20H15ClN2O5S/c1-13-6-9-15(10-7-13)29(27,28)22-19-11-8-14(23(25)26)12-17(19)20(24)16-4-2-3-5-18(16)21/h2-12,22H,1H3",C20H15ClN2O5S,,,,,,ODXRHTZAUULMID-UHFFFAOYSA-N,,,,,,,,,,,
100.092.956,302-298-0,94107-64-9,Triammonium hydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,triammonium hydrogen {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[NH4+].[NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.3H3N/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);3*1H3/p-1",C4H13NO7P2.3H3N,,,,,,FSEJJLUPAXZSIH-UHFFFAOYSA-M,,,,,,,,,,,
100.092.957,302-299-6,94107-65-0,Tetraammonium [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate,tetraammonium {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C4H13NO7P2.4H3N/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);4*1H3",C4H13NO7P2.4H3N,,,,,,ILQMHLOPDFWCAI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.960,302-303-6,94107-68-3,Diammonium dihydrogen [(butylimino)bis(methylene)]bisphosphonate,diammonium dihydrogen [(butylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.2H3N/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);2*1H3/p-2",C6H17NO6P2.2H3N,,,,,,PSGUWWUTWWVRIV-UHFFFAOYSA-L,,,,,,,,,,,
100.092.962,302-305-7,94107-70-7,Diammonium dihydrogen [(hexylimino)bis(methylene)]bisphosphonate,diammonium dihydrogen [(hexylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H21NO6P2.2H3N/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);2*1H3/p-2",C8H21NO6P2.2H3N,,,,,,AGWOZOMWEWMBHP-UHFFFAOYSA-L,,,,,,,,,,,
100.092.963,302-306-2,94107-71-8,Diammonium dihydrogen [(heptylimino)bis(methylene)]bisphosphonate,diammonium dihydrogen [(heptylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.2H3N/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);2*1H3/p-2",C9H23NO6P2.2H3N,,,,,,GCKPSOJHDQNKOM-UHFFFAOYSA-L,,,,,,,,,,,
100.092.965,302-308-3,94107-73-0,Diammonium dihydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate,diammonium dihydrogen {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.2H3N/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);2*1H3/p-2",C10H25NO6P2.2H3N,,,,,,QHRUBDXIOFVCOS-UHFFFAOYSA-L,,,,,,,,,,,
100.092.967,302-310-4,94107-75-2,Diammonium dihydrogen [(dodecylimino)bis(methylene)]bisphosphonate,diammonium dihydrogen [(dodecylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);2*1H3/p-2",C14H33NO6P2.2H3N,,,,,,ZWZHNXFQAFBKRX-UHFFFAOYSA-L,,,,,,,,,,,
100.092.968,302-312-5,94107-76-3,Diammonium dihydrogen [(tetradecylimino)bis(methylene)]diphosphonate,diammonium dihydrogen [(tetradecylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);2*1H3/p-2",C16H37NO6P2.2H3N,,,,,,IUOCUMOMRVDMOD-UHFFFAOYSA-L,,,,,,,,,,,
100.092.971,302-315-1,94107-79-6,Triammonium hydrogen [(butylimino)bis(methylene)]bisphosphonate,triammonium hydrogen [(butylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.3H3N/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);3*1H3/p-1",C6H17NO6P2.3H3N,,,,,,HQJSFGFVCZCZET-UHFFFAOYSA-M,,,,,,,,,,,
100.092.972,302-316-7,94107-80-9,Triammonium hydrogen [(hexylimino)bis(methylene)]diphosphonate,triammonium hydrogen [(hexylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H21NO6P2.3H3N/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);3*1H3/p-1",C8H21NO6P2.3H3N,,,,,,FSFBGOFSUZDVLA-UHFFFAOYSA-M,,,,,,,,,,,
100.092.975,302-319-3,94107-83-2,Triammonium hydrogen [[(2-ethylhexyl)imino]bis(methylene)]diphosphonate,triammonium hydrogen {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[NH4+].[NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.3H3N/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);3*1H3/p-1",C10H25NO6P2.3H3N,,,,,,UUJVLNGOXOLLOQ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.577,299-681-7,93893-88-0,(Z)-1-(1-propoxyethoxy)hex-3-ene,1-(1-propoxyethoxy)hex-3-ene,CCCOC(C)OCC\\C=C/CC,CCCOC(C)OCC\C=C/CC,"InChI=1/C11H22O2/c1-4-6-7-8-10-13-11(3)12-9-5-2/h6-7,11H,4-5,8-10H2,1-3H3",C11H22O2,,,,,,XVCPIEQWTJKZIU-SREVYHEPSA-N,,,,,,,,,,,
100.090.581,299-685-9,93893-92-6,"3,3a,4,4a,7,7a,8,8a-octahydro-3-methyl-4,8-methano-2H-indeno[5,6-b]furan-2-one","3-methyl-3,3a,4,4a,7,7a,8,8a-octahydro-2H-4,8-methanoindeno[5,6-b]furan-2-one",CC1C2C3CC(C4CC=CC34)C2OC1=O,CC1C2C3CC(C4CC=CC34)C2OC1=O,"InChI=1/C13H16O2/c1-6-11-9-5-10(12(11)15-13(6)14)8-4-2-3-7(8)9/h2-3,6-12H,4-5H2,1H3",C13H16O2,,,,,,VQQRIPVLUNSCRE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.604,299-711-9,93894-16-7,Allylbis(2-hydroxyethyl)octadecylammonium chloride,"N-allyl-N,N-bis(2-hydroxyethyl)octadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C,[Cl-].CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C,"InChI=1/C25H52NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(20-4-2,22-24-27)23-25-28;/h4,27-28H,2-3,5-25H2,1H3;1H/q+1;/p-1",C25H52NO2.Cl,,,,,,SCZZOCYLUDAHFS-UHFFFAOYSA-M,,,,,,,,,,,
100.090.608,299-716-6,93894-20-3,"Diethyl tetrahydro-1H-1,4-diazepin-1,4(5H)-dipropionate","diethyl 3,3'-(1,4-diazepane-1,4-diyl)dipropanoate",CCOC(=O)CCN1CCCN(CCC(=O)OCC)CC1,CCOC(=O)CCN1CCCN(CCC(=O)OCC)CC1,"InChI=1/C15H28N2O4/c1-3-20-14(18)6-10-16-8-5-9-17(13-12-16)11-7-15(19)21-4-2/h3-13H2,1-2H3",C15H28N2O4,,,,,,XUQGJZGVUMUZHB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.610,299-718-7,93894-22-5,[2-[(1-methoxydecyl)oxy]ethyl]benzene,{2-[(1-methoxydecyl)oxy]ethyl}benzene,CCCCCCCCCC(OC)OCCc1ccccc1,CCCCCCCCCC(OC)OCCc1ccccc1,"InChI=1/C19H32O2/c1-3-4-5-6-7-8-12-15-19(20-2)21-17-16-18-13-10-9-11-14-18/h9-11,13-14,19H,3-8,12,15-17H2,1-2H3",C19H32O2,,,,,,XLUFTQHSDFJRJC-UHFFFAOYSA-N,,,,,,,,,,,
100.088.500,297-395-7,93516-03-1,7-(trifluoromethyl)-4-quinolone,7-(trifluoromethyl)quinolin-4(1H)-one,FC(F)(F)c1ccc2C(=O)C=CNc2c1,FC(F)(F)c1ccc2C(=O)C=CNc2c1,"InChI=1/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)",C10H6F3NO,,,,,,OWPLFJSQLPTCHS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.383,299-468-9,93891-87-3,"Disodium 1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-dipropionate","disodium 1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-dipropionate",[Na+].[Na+].CC1=C(C=C)\\C(=C\\c2[nH]c(Cc3[nH]c(\\C=C\\4/NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)[O-])c(CCC(=O)[O-])c2C)\\NC1=O,[Na+].[Na+].CC1=C(C=C)\C(=C\c2[nH]c(Cc3[nH]c(\C=C\4/NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)[O-])c(CCC(=O)[O-])c2C)\NC1=O,"InChI=1/C33H36N4O6.2Na/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26;;/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41);;/q;2*+1/p-2",C33H36N4O6.2Na,,,,,,XNHLFNMMORFXAO-PDQJREFDSA-L,,,,,,,,,,,
100.090.398,299-485-1,93892-05-8,"(1a,2ß,5a)-5-isopropenyl-2-methylcyclohexyl isovalerate",5-isopropenyl-2-methylcyclohexyl 3-methylbutanoate,CC(C)CC(=O)O[C@H]1C[C@H](CC[C@@H]1C)C(=C)C,CC(C)CC(=O)O[C@H]1C[C@H](CC[C@@H]1C)C(=C)C,"InChI=1/C15H26O2/c1-10(2)8-15(16)17-14-9-13(11(3)4)7-6-12(14)5/h10,12-14H,3,6-9H2,1-2,4-5H3",C15H26O2,,,,,,HCPAIAFKHZTLIH-IHRRRGAJSA-N,,,,,,,,,,,
100.090.399,299-486-7,93892-06-9,Ethyl 8-hydroxyoctanoate,ethyl 8-hydroxyoctanoate,CCOC(=O)CCCCCCCO,CCOC(=O)CCCCCCCO,"InChI=1/C10H20O3/c1-2-13-10(12)8-6-4-3-5-7-9-11/h11H,2-9H2,1H3",C10H20O3,,,,,,DWFKLFYVEOSPAG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.403,299-490-9,93892-10-5,"Naphthalene-1-sulphonic acid, compound with 2-aminoethanol (1:1)",naphthalene-1-sulfonic acid - 2-aminoethanol (1:1),NCCO.OS(=O)(=O)c1cccc2ccccc12,NCCO.OS(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.C2H7NO/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;3-1-2-4/h1-7H,(H,11,12,13);4H,1-3H2",C10H8O3S.C2H7NO,,,,,,ICLCLFHXGQPXNM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.412,299-500-1,93892-19-4,"5-[[4-(acetylamino)phenyl]amino]-8-amino-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonic acid","5-[(4-acetamidophenyl)amino]-8-amino-9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonic acid",CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4c(cccc4S(=O)(=O)O)C(=O)c23)S(=O)(=O)O)cc1,CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4c(cccc4S(=O)(=O)O)C(=O)c23)S(=O)(=O)O)cc1,"InChI=1/C22H17N3O9S2/c1-10(26)24-11-5-7-12(8-6-11)25-14-9-16(36(32,33)34)20(23)19-18(14)21(27)13-3-2-4-15(35(29,30)31)17(13)22(19)28/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)",C22H17N3O9S2,,,,,,RZGDMYFDZTWCPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.087.312,296-086-4,92218-39-8,Potassium hydrogen 2-octadecenylsuccinate,hydrogen potassium 2-octadec-1-en-1-ylsuccinate,[H+].[K+].[O-]C(=O)CC(C=CCCCCCCCCCCCCCCCC)C([O-])=O,[H+].[K+].[O-]C(=O)CC(C=CCCCCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C22H40O4.K.H2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;;/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,25,26);;1H/q;2*+1/p-2",C22H40O4.K,,,,,,SFFGYAYAAJKTAO-UHFFFAOYSA-M,,,,,,,,,,,
100.090.422,299-511-1,93892-29-6,6-sec-butyl-2-cyclopentylphenol,2-sec-butyl-6-cyclopentylphenol,CCC(C)c1cccc(C2CCCC2)c1O,CCC(C)c1cccc(C2CCCC2)c1O,"InChI=1/C15H22O/c1-3-11(2)13-9-6-10-14(15(13)16)12-7-4-5-8-12/h6,9-12,16H,3-5,7-8H2,1-2H3",C15H22O,,,,,,BMHWAWBPZQGJIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.756,276-755-7,72639-39-5,Nitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate,2-nitrophenyl 3-({2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl}diazenyl)-4-methoxybenzenesulfonate,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)S(=O)(=O)Oc5ccccc5[N+]([O-])=O,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)S(=O)(=O)Oc5ccccc5[N+]([O-])=O,"InChI=1/C31H24N4O8S/c1-19-9-3-6-12-24(19)32-31(37)23-17-20-10-4-5-11-22(20)29(30(23)36)34-33-25-18-21(15-16-27(25)42-2)44(40,41)43-28-14-8-7-13-26(28)35(38)39/h3-18,36H,1-2H3,(H,32,37)",C31H24N4O8S,,,,,,UORQSRSLZXYOJT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.757,276-756-2,72648-62-5,1-(octadecylamino)propan-2-ol,1-(octadecylamino)propan-2-ol,CCCCCCCCCCCCCCCCCCNCC(C)O,CCCCCCCCCCCCCCCCCCNCC(C)O,"InChI=1/C21H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21(2)23/h21-23H,3-20H2,1-2H3",C21H45NO,,,,,,XXKKEQGUJLLOJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.760,276-759-9,72668-27-0,Tris(3-isopropylphenyl) phosphate,tris(3-isopropylphenyl) phosphate,CC(C)c1cccc(OP(=O)(Oc2cccc(c2)C(C)C)Oc3cccc(c3)C(C)C)c1,CC(C)c1cccc(OP(=O)(Oc2cccc(c2)C(C)C)Oc3cccc(c3)C(C)C)c1,"InChI=1/C27H33O4P/c1-19(2)22-10-7-13-25(16-22)29-32(28,30-26-14-8-11-23(17-26)20(3)4)31-27-15-9-12-24(18-27)21(5)6/h7-21H,1-6H3",C27H33O4P,,,,,,HZZVNABLNATHQO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.763,276-763-0,72676-55-2,"5,5'-dithiodi-1,3,4-thiadiazole-2(3H)-thione","5,5'-disulfanediylbis(1,3,4-thiadiazole-2(3H)-thione)",S=C1NN=C(SSC2=NNC(=S)S2)S1,S=C1NN=C(SSC2=NNC(=S)S2)S1,"InChI=1/C4H2N4S6/c9-1-5-7-3(11-1)13-14-4-8-6-2(10)12-4/h(H,5,9)(H,6,10)",C4H2N4S6,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17568,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.763,DJCISYVIXPWVHY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.766,276-766-7,72692-98-9,"3-methylpentane-1,2,5-triol","2,3-dideoxy-3-methylpentitol",CC(CCO)C(O)CO,CC(CCO)C(O)CO,"InChI=1/C6H14O3/c1-5(2-3-7)6(9)4-8/h5-9H,2-4H2,1H3",C6H14O3,,,,,,XCUKPLKWHIBYLO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.768,276-768-8,72700-01-7,"2-[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]indan-1-one","2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene)indan-1-one",O=C4c5ccccc5CC4=Cc1cc2CCCN3CCCc(c1)c23,O=C4c5ccccc5CC4=Cc1cc2CCCN3CCCc(c1)c23,"InChI=1/C22H21NO/c24-22-19(14-16-5-1-2-8-20(16)22)13-15-11-17-6-3-9-23-10-4-7-18(12-15)21(17)23/h1-2,5,8,11-13H,3-4,6-7,9-10,14H2",C22H21NO,,,,,,YVWGLGCGEKNNSV-UHFFFAOYSA-N,,,,,,,,,,,
100.063.593,269-973-9,68398-22-1,Calcium dimethylhexanoate,"calcium bis(2,2-dimethylhexanoate)",[Ca+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],[Ca+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],"InChI=1/2C8H16O2.Ca/c2*1-4-5-6-8(2,3)7(9)10;/h2*4-6H2,1-3H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ca,,,,,,RNCQGJUPJDXLAI-UHFFFAOYSA-L,,,,,,,,,,,
100.063.599,269-980-7,68399-69-9,2-ethoxy-5-propylphenol,2-ethoxy-5-propylphenol,CCCc1ccc(OCC)c(O)c1,CCCc1ccc(OCC)c(O)c1,"InChI=1/C11H16O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h6-8,12H,3-5H2,1-2H3",C11H16O2,,,,,,XDZLFEKELKUEPL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.600,269-981-2,68399-70-2,3-hydroxy-4-[(2-nitrophenyl)azo]-N-(o-tolyl)naphthalene-2-carboxamide,3-hydroxy-N-(2-methylphenyl)-4-[(2-nitrophenyl)diazenyl]-2-naphthamide,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccccc2[N+]([O-])=O)c3O,Cc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccccc2[N+]([O-])=O)c3O,"InChI=1/C24H18N4O4/c1-15-8-2-5-11-19(15)25-24(30)18-14-16-9-3-4-10-17(16)22(23(18)29)27-26-20-12-6-7-13-21(20)28(31)32/h2-14,29H,1H3,(H,25,30)",C24H18N4O4,,,,,,FEPNIDWCPNLQJM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.606,269-988-0,68399-76-8,"Zinc 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)","zinc bis(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate)",[Zn].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2,[Zn].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2,"InChI=1/2C5H4N2O4.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",C5H4N2O4.1/2Zn,,,,,,LUALAXHLCYKCNS-UHFFFAOYSA-L,,,,,,,,,,,
100.063.607,269-989-6,68399-77-9,2-hydroxy-4-morpholinepropanesulphonic acid,3-(2-hydroxymorpholin-4-yl)propane-1-sulfonic acid,OC1CN(CCCS(=O)(=O)O)CCO1,OC1CN(CCCS(=O)(=O)O)CCO1,"InChI=1/C7H15NO5S/c9-7-6-8(3-4-13-7)2-1-5-14(10,11)12/h7,9H,1-6H2,(H,10,11,12)",C7H15NO5S,,,,,,CANGTLVPGKBIDF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.609,269-991-7,68399-79-1,"2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]propanesulphonic acid","2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]propane-1-sulfonic acid",CC(C)(CO)NCC(O)CS(=O)(=O)O,CC(C)(CO)NCC(O)CS(=O)(=O)O,"InChI=1/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)",C7H17NO5S,,,,,,ACERFIHBIWMFOR-UHFFFAOYSA-N,,,,,,,,,,,
100.063.610,269-992-2,68399-80-4,3-[bis(2-hydroxyethyl)amino]-2-hydroxypropanesulphonic acid,3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid,OCCN(CCO)CC(O)CS(=O)(=O)O,OCCN(CCO)CC(O)CS(=O)(=O)O,"InChI=1/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)",C7H17NO6S,,,,,,XCBLFURAFHFFJF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.739,281-138-0,83863-72-3,Ethyl 3-methoxy-4-oxopiperidine-1-carboxylate,ethyl 3-methoxy-4-oxopiperidine-1-carboxylate,CCOC(=O)N1CCC(=O)C(C1)OC,CCOC(=O)N1CCC(=O)C(C1)OC,"InChI=1/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3",C9H15NO4,,,,,,WDPDIPXYVCLBCI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.376,282-939-8,84473-84-7,"4,4'-ethylenedipiperidine dihydrochloride","4,4'-ethane-1,2-diyldipiperidine dihydrochloride",Cl.Cl.C(CC1CCNCC1)C2CCNCC2,Cl.Cl.C(CC1CCNCC1)C2CCNCC2,"InChI=1/C12H24N2.2ClH/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;/h11-14H,1-10H2;2*1H",C12H24N2.2ClH,,,,,,SVLVVJXAINBYOI-UHFFFAOYSA-N,,,,,,,,,,,
100.075.618,283-206-5,84581-15-7,"Trisodium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionate","trisodium 3-(2-carboxylatoethyl)-5-(carboxylatomethyl)-12-ethyl-13-formyl-2,8,18-trimethyl-17-vinyl-2H,3H-porphine-7-carboxylate",[Na+].[Na+].[Na+].CCC1=C(C=O)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-],[Na+].[Na+].[Na+].CCC1=C(C=O)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-],"InChI=1/C34H32N4O7.3Na/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3",C34H34N4O7.3Na,,,,,,NULPMJGQMZLWMS-RUSRHYLNSA-K,,,,,,,,,,,
100.076.500,284-180-8,84803-54-3,Benzhydryl a-(1-morpholinoethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate,diphenylmethyl 2-(2-{[(4-methylphenyl)sulfonyl]sulfanyl}-4-oxo-3-[(phenoxyacetyl)amino]azetidin-1-yl)-3-morpholin-4-ylbut-2-enoate,CC(=C(C(=O)OC(c1ccccc1)c2ccccc2)N5C(=O)C(NC(=O)COc3ccccc3)C5SS(=O)(=O)c4ccc(C)cc4)N6CCOCC6,CC(=C(C(=O)OC(c1ccccc1)c2ccccc2)N5C(=O)C(NC(=O)COc3ccccc3)C5SS(=O)(=O)c4ccc(C)cc4)N6CCOCC6,"InChI=1/C39H39N3O8S2/c1-27-18-20-32(21-19-27)52(46,47)51-38-34(40-33(43)26-49-31-16-10-5-11-17-31)37(44)42(38)35(28(2)41-22-24-48-25-23-41)39(45)50-36(29-12-6-3-7-13-29)30-14-8-4-9-15-30/h3-21,34,36,38H,22-26H2,1-2H3,(H,40,43)",C39H39N3O8S2,,,,,,GDJUVTRLMOHUPB-UHFFFAOYSA-N,,,,,,,,,,,
100.076.503,284-183-4,84803-57-6,"(4-tert-butyl-2,6-dimethylphenyl)acetonitrile","(4-tert-butyl-2,6-dimethylphenyl)acetonitrile",Cc1cc(cc(C)c1CC#N)C(C)(C)C,Cc1cc(cc(C)c1CC#N)C(C)(C)C,"InChI=1/C14H19N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6H2,1-5H3",C14H19N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10351,https://echa.europa.eu/substance-information/-/substanceinfo/100.076.503,ZUXNULGHCOXCFL-UHFFFAOYSA-N,,,,,,,,,,,
100.076.505,284-186-0,84803-59-8,4-[(4-chlorophenyl)amino]-3-nitrobenzenesulphonic acid,4-[(4-chlorophenyl)amino]-3-nitrobenzenesulfonic acid,OS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2)c(c1)[N+](=O)[O-],OS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2)c(c1)[N+](=O)[O-],"InChI=1/C12H9ClN2O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(21(18,19)20)7-12(11)15(16)17/h1-7,14H,(H,18,19,20)",C12H9ClN2O5S,,,,,,NPIGPRQZIZVVCV-UHFFFAOYSA-N,,,,,,,,,,,
100.076.506,284-187-6,84803-60-1,2-methoxy-2-oxoethyl salicylate,2-methoxy-2-oxoethyl salicylate,COC(=O)COC(=O)c1ccccc1O,COC(=O)COC(=O)c1ccccc1O,"InChI=1/C10H10O5/c1-14-9(12)6-15-10(13)7-4-2-3-5-8(7)11/h2-5,11H,6H2,1H3",C10H10O5,,,,,,XJWSVPJQEDFPSB-UHFFFAOYSA-N,,,,,,,,,,,
100.076.507,284-188-1,84803-61-2,"2-(ethylamino)-N,N-dimethylbutyramide","2-(ethylamino)-N,N-dimethylbutanamide",CCNC(CC)C(=O)N(C)C,CCNC(CC)C(=O)N(C)C,"InChI=1/C8H18N2O/c1-5-7(9-6-2)8(11)10(3)4/h7,9H,5-6H2,1-4H3",C8H18N2O,,,,,,WDMZZHGFIDHAFR-UHFFFAOYSA-N,,,,,,,,,,,
100.076.517,284-199-1,84803-71-4,"1,5-bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo[4,5-b]phenazine","1,5-bis(4-chlorophenyl)-2,2-dimethyl-2,5-dihydro-1H-imidazo[4,5-b]phenazine",CC1(C)N=C2C=C3N(c4ccc(Cl)cc4)c5ccccc5N=C3C=C2N1c6ccc(Cl)cc6,CC1(C)N=C2C=C3N(c4ccc(Cl)cc4)c5ccccc5N=C3C=C2N1c6ccc(Cl)cc6,"InChI=1/C27H20Cl2N4/c1-27(2)31-23-16-25-22(15-26(23)33(27)20-13-9-18(29)10-14-20)30-21-5-3-4-6-24(21)32(25)19-11-7-17(28)8-12-19/h3-16H,1-2H3",C27H20Cl2N4,,,,,,HFSRYMCNSIJDJB-UHFFFAOYSA-N,,,,,,,,,,,
100.076.518,284-200-5,84803-72-5,"N2-[(benzyloxy)carbonyl]-N6-(tert-butoxycarbonyl)-L-lysine, compound with cyclohexylamine (1:1)",N~2~-[(benzyloxy)carbonyl]-N~6~-(tert-butoxycarbonyl)-L-lysine - cyclohexanamine (1:1),CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.NC2CCCCC2,CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.NC2CCCCC2,"InChI=1/C19H28N2O6.C6H13N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;7-6-4-2-1-3-5-6/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);6H,1-5,7H2",C19H28N2O6.C6H13N,,,,,,PXENBDIRURLRNF-RSAXXLAASA-N,,,,,,,,,,,
100.076.519,284-201-0,84803-73-6,"Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate","diethyl 2,4-diacetyl-3-(4-chlorophenyl)pentanedioate",CCOC(=O)C(C(C(C(=O)C)C(=O)OCC)c1ccc(Cl)cc1)C(=O)C,CCOC(=O)C(C(C(C(=O)C)C(=O)OCC)c1ccc(Cl)cc1)C(=O)C,"InChI=1/C19H23ClO6/c1-5-25-18(23)15(11(3)21)17(13-7-9-14(20)10-8-13)16(12(4)22)19(24)26-6-2/h7-10,15-17H,5-6H2,1-4H3",C19H23ClO6,,,,,,DNQLYCOOQIWASI-UHFFFAOYSA-N,,,,,,,,,,,
100.076.528,284-211-5,84812-67-9,1-(2-acetoxycyclopentyl)pentyl acetate,1-(2-acetoxycyclopentyl)pentyl acetate,CCCCC(OC(=O)C)C1CCCC1OC(=O)C,CCCCC(OC(=O)C)C1CCCC1OC(=O)C,"InChI=1/C14H24O4/c1-4-5-8-13(17-10(2)15)12-7-6-9-14(12)18-11(3)16/h12-14H,4-9H2,1-3H3",C14H24O4,,,,,,ONAHSEWODDXPPF-UHFFFAOYSA-N,,,,,,,,,,,
100.073.515,280-889-1,83803-71-8,4-(ethylthio)butyraldehyde,4-(ethylsulfanyl)butanal,CCSCCCC=O,CCSCCCC=O,"InChI=1/C6H12OS/c1-2-8-6-4-3-5-7/h5H,2-4,6H2,1H3",C6H12OS,,,,,,FEUSECLJHOOSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.790,299-915-8,93918-33-3,"Ethylene bis[[(8-butyl-5,11-dioxo-1,4-dioxa-7,9-dithia-8-stannacycloundec-8-yl)thio]acetate]","ethane-1,2-diyl bis{[(5-butyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundecan-5-yl)sulfanyl]acetate}",CCCC[Sn]1(SCC(=O)OCCOC(=O)CS[Sn]2(CCCC)SCC(=O)OCCOC(=O)CS2)SCC(=O)OCCOC(=O)CS1,CCCC[Sn]1(SCC(=O)OCCOC(=O)CS[Sn]2(CCCC)SCC(=O)OCCOC(=O)CS2)SCC(=O)OCCOC(=O)CS1,"InChI=1/3C6H10O4S2.2C4H9.2Sn/c3*7-5(3-11)9-1-2-10-6(8)4-12;2*1-3-4-2;;/h3*11-12H,1-4H2;2*1,3-4H2,2H3;;/q;;;;;2*+3/p-6/rC26H42O12S6Sn2/c1-3-5-13-45(39-15-21(27)33-7-8-34-22(28)16-40-45)43-19-25(31)37-11-12-38-26(32)20-44-46(14-6-4-2)41-17-23(29)35-9-10-36-24(30)18-42-46/h3-20H2,1-2H3",C26H42O12S6Sn2,,,,,,VXYCIFDXMXWUIM-UHFFFAOYSA-H,,,,,,,,,,,
100.090.796,299-922-6,93918-42-4,"1,1'-trithiobis[N,N-dibutylformamide]","N,N,N',N'-tetrabutyltrisulfane-1,3-dicarboxamide",CCCCN(CCCC)C(=O)SSSC(=O)N(CCCC)CCCC,CCCCN(CCCC)C(=O)SSSC(=O)N(CCCC)CCCC,"InChI=1/C18H36N2O2S3/c1-5-9-13-19(14-10-6-2)17(21)23-25-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3",C18H36N2S5,,,,,,IOCUGBUQUHMNNY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.803,299-929-4,93918-50-4,"N,N'-[ethylenebis(iminoethylene)]bismyristamide","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]ditetradecanamide",CCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCC,"InChI=1/C34H70N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(39)37-31-29-35-27-28-36-30-32-38-34(40)26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-32H2,1-2H3,(H,37,39)(H,38,40)",C34H70N4O2,,,,,,CJGHEDCNEYQSAL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.807,299-934-1,93918-54-8,"N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis(9-octadecenamide)","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisoctadec-9-enamide",CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C42H82N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44H,3-16,21-40H2,1-2H3,(H,45,47)(H,46,48)",C42H82N4O2,,,,,,SEACOSILDQEZMB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.809,299-936-2,93918-56-0,"N,N'-[iminobis(ethane-1,2-diyliminoethane-1,2-diyl)]bis(octadeca-9,12-dien-1-amide)","N-(13-oxo-3,6,9,12-tetraazatriaconta-21,24-dien-1-yl)octadeca-9,12-dienamide (non-preferred name)",CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC,CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC,"InChI=1/C44H83N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45-47H,3-10,15-16,21-42H2,1-2H3,(H,48,50)(H,49,51)",C44H83N5O2,,,,,,VKQJCYCXUGUKQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.813,299-940-4,93918-61-7,"N,N'-(iminodiethylene)bis(octadec-9-enamide) monoacetate","N,N'-(iminodiethane-2,1-diyl)bisoctadec-9-enamide acetate",O=C(NCCNCCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.CC(O)=O,O=C(NCCNCCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.CC(O)=O,"InChI=1/C40H77N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h17-20,41H,3-16,21-38H2,1-2H3,(H,42,44)(H,43,45);1H3,(H,3,4)",C40H77N3O2.C2H4O2,,,,,,GIIYCLVXZVSOBO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.816,299-944-6,93918-64-0,"N,N'-[ethylenebis(iminoethylene)]bis(dodecanamide) monoacetate","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]didodecanamide acetate",CCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O,"InChI=1/C30H62N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-29(35)33-27-25-31-23-24-32-26-28-34-30(36)22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h31-32H,3-28H2,1-2H3,(H,33,35)(H,34,36);1H3,(H,3,4)",C30H62N4O2.C2H4O2,,,,,,NGPFCMGUMPMAGM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.817,299-945-1,93918-65-1,"N,N'-[ethylenebis(iminoethylene)]bismyristamide monoacetate","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]ditetradecanamide acetate",CCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCC.CC(=O)O,"InChI=1/C34H70N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(39)37-31-29-35-27-28-36-30-32-38-34(40)26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h35-36H,3-32H2,1-2H3,(H,37,39)(H,38,40);1H3,(H,3,4)",C34H70N4O2.C2H4O2,,,,,,BJWVVAADNRYORN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.036,301-286-2,93982-99-1,4-chlorophenylbutyl 4-methylbenzenesulphonate,1-(4-chlorophenyl)butyl 4-methylbenzenesulfonate,CCCC(OS(=O)(=O)c1ccc(C)cc1)c2ccc(Cl)cc2,CCCC(OS(=O)(=O)c1ccc(C)cc1)c2ccc(Cl)cc2,"InChI=1/C17H19ClO3S/c1-3-4-17(14-7-9-15(18)10-8-14)21-22(19,20)16-11-5-13(2)6-12-16/h5-12,17H,3-4H2,1-2H3",C17H19ClO3S,,,,,,SBNYYVQTWYXHIA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.037,301-287-8,93983-00-7,Potassium 2-(4-chlorophenyl)benzoxazole-5-propionate,"potassium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate",[K+].[O-]C(=O)CCc1ccc2oc(nc2c1)c3ccc(Cl)cc3,[K+].[O-]C(=O)CCc1ccc2oc(nc2c1)c3ccc(Cl)cc3,"InChI=1/C16H12ClNO3.K/c17-12-5-3-11(4-6-12)16-18-13-9-10(2-8-15(19)20)1-7-14(13)21-16;/h1,3-7,9H,2,8H2,(H,19,20);/q;+1/p-1",C16H12ClNO3.K,,,,,,RRYBJWUKCHIDNI-UHFFFAOYSA-M,,,,,,,,,,,
100.090.425,299-514-8,93892-32-1,"4,6-dichloro-1,1,3,3-tetramethylindan-5-ol","4,6-dichloro-1,1,3,3-tetramethylindan-5-ol",CC1(C)CC(C)(C)c2c(Cl)c(O)c(Cl)cc12,CC1(C)CC(C)(C)c2c(Cl)c(O)c(Cl)cc12,"InChI=1/C13H16Cl2O/c1-12(2)6-13(3,4)9-7(12)5-8(14)11(16)10(9)15/h5,16H,6H2,1-4H3",C13H16Cl2O,,,,,,FTHYZVZUNYOUGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.428,299-517-4,93892-35-4,"4,6-dicyclopentyl-1,1,3-trimethylindan-5-ol","4,6-dicyclopentyl-1,1,3-trimethylindan-5-ol",CC1CC(C)(C)c2cc(C3CCCC3)c(O)c(C4CCCC4)c12,CC1CC(C)(C)c2cc(C3CCCC3)c(O)c(C4CCCC4)c12,"InChI=1/C22H32O/c1-14-13-22(2,3)18-12-17(15-8-4-5-9-15)21(23)20(19(14)18)16-10-6-7-11-16/h12,14-16,23H,4-11,13H2,1-3H3",C22H32O,,,,,,RTODAWILMZRMIW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.432,299-522-1,93892-39-8,"4-tert-butyl-2,6-dicyclopentylphenol","4-tert-butyl-2,6-dicyclopentylphenol",CC(C)(C)c1cc(C2CCCC2)c(O)c(c1)C3CCCC3,CC(C)(C)c1cc(C2CCCC2)c(O)c(c1)C3CCCC3,"InChI=1/C20H30O/c1-20(2,3)16-12-17(14-8-4-5-9-14)19(21)18(13-16)15-10-6-7-11-15/h12-15,21H,4-11H2,1-3H3",C20H30O,,,,,,OHUBRCRQNDCACB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.433,299-523-7,93892-40-1,"4,6-bis(isopropyl)-1,1,3,3-tetramethylindan-5-ol","4,6-diisopropyl-1,1,3,3-tetramethylindan-5-ol",CC(C)c1cc2c(c(C(C)C)c1O)C(C)(C)CC2(C)C,CC(C)c1cc2c(c(C(C)C)c1O)C(C)(C)CC2(C)C,"InChI=1/C19H30O/c1-11(2)13-9-14-16(15(12(3)4)17(13)20)19(7,8)10-18(14,5)6/h9,11-12,20H,10H2,1-8H3",C19H30O,,,,,,WGQDDNQFNLMBOS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.438,299-528-4,93892-45-6,"6,6'-(2-methylpropylidene)bis[4-cyclopentyl-m-cresol]","2,2'-(2-methylpropane-1,1-diyl)bis(4-cyclopentyl-5-methylphenol)",CC(C)C(c1cc(C2CCCC2)c(C)cc1O)c3cc(C4CCCC4)c(C)cc3O,CC(C)C(c1cc(C2CCCC2)c(C)cc1O)c3cc(C4CCCC4)c(C)cc3O,"InChI=1/C28H38O2/c1-17(2)28(24-15-22(18(3)13-26(24)29)20-9-5-6-10-20)25-16-23(19(4)14-27(25)30)21-11-7-8-12-21/h13-17,20-21,28-30H,5-12H2,1-4H3",C28H38O2,,,,,,FNKPWXLHDCAGEG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.441,299-532-6,93892-48-9,"8-methoxy-2,4-dimethyloct-3-ene","5,7-dimethyloct-5-en-1-yl methyl ether",COCCCCC(C)=CC(C)C,COCCCCC(C)=CC(C)C,"InChI=1/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h9-10H,5-8H2,1-4H3",C11H22O,,,,,,ZIBNNFGZMSQJND-UHFFFAOYSA-N,,,,,,,,,,,
100.090.449,299-541-5,93892-56-9,2-methyl-1-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)butyl acetate,2-methyl-1-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)butyl acetate,CCC(C)C(OC(=O)C)C1C(C)C2CC1C=C2,CCC(C)C(OC(=O)C)C1C(C)C2CC1C=C2,"InChI=1/C15H24O2/c1-5-9(2)15(17-11(4)16)14-10(3)12-6-7-13(14)8-12/h6-7,9-10,12-15H,5,8H2,1-4H3",C15H24O2,,,,,,HKHUUNBSCMQVGO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.450,299-542-0,93892-57-0,"Methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate","methyl 2,8,8-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylate",COC(=O)C1(C)CC=C2CCCC(C)(C)C2C1,COC(=O)C1(C)CC=C2CCCC(C)(C)C2C1,"InChI=1/C15H24O2/c1-14(2)8-5-6-11-7-9-15(3,10-12(11)14)13(16)17-4/h7,12H,5-6,8-10H2,1-4H3",C15H24O2,,,,,,KNHQUGDAVAYSEH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.453,299-545-7,93892-60-5,"Tetrahydro-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,2'-[2H]pyran]-6'-ol","1,7,7-trimethyltetrahydrospiro[bicyclo[2.2.1]heptane-2,2'-pyran]-6'-ol",CC1(C)C2CCC1(C)C3(CCCC(O)O3)C2,CC1(C)C2CCC1(C)C3(CCCC(O)O3)C2,"InChI=1/C14H24O2/c1-12(2)10-6-8-13(12,3)14(9-10)7-4-5-11(15)16-14/h10-11,15H,4-9H2,1-3H3",C14H24O2,,,,,,HTDRMLQEGSMZSN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.320,302-699-0,94132-59-9,"Decahydro-2,4a,8a-trimethyl-1,6-methanonaphthalen-5-ol","2,4,8-trimethyldecahydro-1,6-methanonaphthalen-5-ol",C[C@H]2CC3CC1C(C)C[C@H](C)C(C12)C3O,C[C@H]2CC3CC1C(C)C[C@H](C)C(C12)C3O,"InChI=1/C14H24O/c1-7-4-8(2)13-12-9(3)5-10(14(13)15)6-11(7)12/h7-15H,4-6H2,1-3H3",C14H24O,,,,,,AAJXRUFSFXGYRX-ZCZDGWLKSA-N,,,,,,,,,,,
100.093.327,302-707-2,94133-47-8,"6,13-dichloro-3,10-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]disulphophenyl]amino]triphenodioxazine-4,11-disulphonic acid","6,13-dichloro-3,10-bis({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,3-disulfophenyl}amino)[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",OS(=O)(=O)c1c(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2S(=O)(=O)O)S(=O)(=O)O)ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)c(c8S(=O)(=O)O)S(=O)(=O)O)c7S(=O)(=O)O)N=C6C(=C5Oc14)Cl)Cl,OS(=O)(=O)c1c(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2S(=O)(=O)O)S(=O)(=O)O)ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)c(c8S(=O)(=O)O)S(=O)(=O)O)c7S(=O)(=O)O)N=C6C(=C5Oc14)Cl)Cl,"InChI=1/C36H18Cl6N12O20S6/c37-17-19-23(73-21-9(45-19)1-3-11(25(21)75(55,56)57)43-13-5-7-15(47-35-51-31(39)49-32(40)52-35)29(79(67,68)69)27(13)77(61,62)63)18(38)20-24(17)74-22-10(46-20)2-4-12(26(22)76(58,59)60)44-14-6-8-16(48-36-53-33(41)50-34(42)54-36)30(80(70,71)72)28(14)78(64,65)66/h1-8,43-44H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,47,49,51,52)(H,48,50,53,54)",C36H18Cl6N12O20S6,,,,,,LGGGXWROJCSNTL-UHFFFAOYSA-N,,,,,,,,,,,
100.087.351,296-130-2,92274-82-3,(dimethylamino)dimethylindium,dimethyl(N-methylmethanaminato)indium,CN(C)[In](C)C,CN(C)[In](C)C,InChI=1/C2H6N.2CH3.In/c1-3-2;;;/h1-2H3;2*1H3;/q-1;;;+1/rC4H12InN/c1-5(2)6(3)4/h1-4H3,C4H12InN,,,,,,JEMPWPKIYKCLQS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.611,269-993-8,68399-81-5,"2-hydroxy-3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]propanesulphonic acid","2-hydroxy-3-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}propane-1-sulfonic acid",OCC(CO)(CO)NCC(O)CS(=O)(=O)O,OCC(CO)(CO)NCC(O)CS(=O)(=O)O,"InChI=1/C7H17NO7S/c9-3-7(4-10,5-11)8-1-6(12)2-16(13,14)15/h6,8-12H,1-5H2,(H,13,14,15)",C7H17NO7S,,,,,,RZQXOGQSPBYUKH-UHFFFAOYSA-N,,,,,,,,,,,
100.064.059,270-486-9,68442-69-3,"Benzene, mono-C10-14-alkyl derivs.",dodecylbenzene,CCCCCCCCCCCCc1ccccc1,CCCCCCCCCCCCc1ccccc1,"InChI=1/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3",-,,,,,,KWKXNDCHNDYVRT-UHFFFAOYSA-N,,,,,,,,,,,
100.064.081,270-511-3,68443-34-5,1-benzyloxy-4-(1-methyl-1-phenylethyl)benzene,1-(benzyloxy)-4-(1-methyl-1-phenylethyl)benzene,CC(C)(c1ccccc1)c2ccc(OCc3ccccc3)cc2,CC(C)(c1ccccc1)c2ccc(OCc3ccccc3)cc2,"InChI=1/C22H22O/c1-22(2,19-11-7-4-8-12-19)20-13-15-21(16-14-20)23-17-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3",C22H22O,,,,,,IZLBYQPKAHATAF-UHFFFAOYSA-N,,,,,,,,,,,
100.065.366,271-924-1,68630-91-1,"Dihydrogen 1-[2-[bis(2-carboxylatoethyl)amino]ethyl]-3-(carboxylatomethyl)-2-heptyl-4,5-dihydro-1H-imidazolium","3,3'-({2-[3-(carboxylatomethyl)-2-heptylimidazolidin-1-ium-1-yl]ethyl}imino)dipropanoate",CCCCCCCC1N(CC(=O)[O-])CC[NH+]1CCN(CCC(=O)[O-])CCC(=O)[O-],CCCCCCCC1N(CC(=O)[O-])CC[NH+]1CCN(CCC(=O)[O-])CCC(=O)[O-],"InChI=1/C20H37N3O6/c1-2-3-4-5-6-7-17-22(14-15-23(17)16-20(28)29)13-12-21(10-8-18(24)25)11-9-19(26)27/h17H,2-16H2,1H3,(H,24,25)(H,26,27)(H,28,29)/p-2",C20H35N3O6,,,,,,VLHPQAQVMBRLQG-UHFFFAOYSA-L,,,,,,,,,,,
100.065.373,271-932-5,68631-04-9,"2,3-dimethyl-5-nitrobenzene-1-sulphonyl chloride","2,3-dimethyl-5-nitrobenzenesulfonyl chloride",Cc1cc(cc(c1C)S(=O)(=O)Cl)[N+](=O)[O-],Cc1cc(cc(c1C)S(=O)(=O)Cl)[N+](=O)[O-],"InChI=1/C8H8ClNO4S/c1-5-3-7(10(11)12)4-8(6(5)2)15(9,13)14/h3-4H,1-2H3",C8H8ClNO4S,,,,,,VPPPQFAKKFQYGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.772,276-773-5,72705-43-2,"N,N'-[azobis[4,1-phenyleneazo(8-hydroxy-6-sulphonaphthalene-7,2-diyl)]]bisglycine","2,2'-{diazene-1,2-diylbis[4,1-phenylenediazene-2,1-diyl(8-hydroxy-6-sulfonaphthalene-7,2-diyl)imino]}diacetic acid (non-preferred name)",OS(=O)(=O)c6cc1ccc(NCC(O)=O)cc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4ccc(cc4c5O)NCC(O)=O)S(O)(=O)=O,OS(=O)(=O)c6cc1ccc(NCC(O)=O)cc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4ccc(cc4c5O)NCC(O)=O)S(O)(=O)=O,"InChI=1/C36H28N8O12S2/c45-31(46)17-37-25-3-1-19-13-29(57(51,52)53)33(35(49)27(19)15-25)43-41-23-9-5-21(6-10-23)39-40-22-7-11-24(12-8-22)42-44-34-30(58(54,55)56)14-20-2-4-26(38-18-32(47)48)16-28(20)36(34)50/h1-16,37-38,49-50H,17-18H2,(H,45,46)(H,47,48)(H,51,52,53)(H,54,55,56)",C36H28N8O12S2,,,,,,YTCALPYCGNADML-UHFFFAOYSA-N,,,,,,,,,,,
100.069.779,276-780-3,72716-92-8,Ethyl 2-formyl-3-(6-methyl-3-pyridyl)propionate,ethyl 2-formyl-3-(6-methylpyridin-3-yl)propanoate,CCOC(=O)C(Cc1ccc(C)nc1)C=O,CCOC(=O)C(Cc1ccc(C)nc1)C=O,"InChI=1/C12H15NO3/c1-3-16-12(15)11(8-14)6-10-5-4-9(2)13-7-10/h4-5,7-8,11H,3,6H2,1-2H3",C12H15NO3,,,,,,IIOWETJNAPDAGC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.787,276-789-2,72727-56-1,2-methylpropyl 1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylate,isobutyl 1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carboxylate,CC(C)COC(=O)C1(C)CCC=C(CCC=C(C)C)C1,CC(C)COC(=O)C1(C)CCC=C(CCC=C(C)C)C1,"InChI=1/C18H30O2/c1-14(2)8-6-9-16-10-7-11-18(5,12-16)17(19)20-13-15(3)4/h8,10,15H,6-7,9,11-13H2,1-5H3",C18H30O2,,,,,,MWSFCHQEVONRLO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.794,276-797-6,72727-64-1,(1-ethoxy-1-methylethyl)cyclohexane,(1-ethoxy-1-methylethyl)cyclohexane,CCOC(C)(C)C1CCCCC1,CCOC(C)(C)C1CCCCC1,"InChI=1/C11H22O/c1-4-12-11(2,3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3",C11H22O,,,,,,MQFSZQIPCBEAGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.796,276-799-7,72727-66-3,a-methylbicyclo[2.2.1]heptane-2-propionaldehyde oxime,3-bicyclo[2.2.1]hept-2-yl-2-methylpropanal oxime,CC(CC1CC2CCC1C2)\\C=N\\O,CC(CC1CC2CCC1C2)\C=N\O,"InChI=1/C11H19NO/c1-8(7-12-13)4-11-6-9-2-3-10(11)5-9/h7-11,13H,2-6H2,1H3",C11H19NO,,,,,,BBXNPVHGHWFDRI-KPKJPENVSA-N,,,,,,,,,,,
100.069.802,276-805-8,72731-35-2,Calcium (4-chloro-2-methylphenoxy)acetate,calcium bis[(4-chloro-2-methylphenoxy)acetate],[Ca+2].Cc1cc(Cl)ccc1OCC(=O)[O-].Cc2cc(Cl)ccc2OCC(=O)[O-],[Ca+2].Cc1cc(Cl)ccc1OCC(=O)[O-].Cc2cc(Cl)ccc2OCC(=O)[O-],"InChI=1/2C9H9ClO3.Ca/c2*1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2*2-4H,5H2,1H3,(H,11,12);/q;;+2/p-2",C9H9ClO3.1/2Ca,,,,,,XLNYBYYHALTQAJ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.804,276-807-9,72742-04-2,Trimethyl(2-myristoyloxyethyl)ammonium iodide,"N,N,N-trimethyl-2-(tetradecanoyloxy)ethanaminium iodide",[I-].CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C,[I-].CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C,"InChI=1/C19H40NO2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1",C19H40NO2.I,,,,,,GAVXBOJISDNUPP-UHFFFAOYSA-M,,,,,,,,,,,
100.069.810,276-814-7,72749-73-6,"[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium hydrogen sulphate","2-(ethyl{4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,[H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,"InChI=1/C21H27N6S.H2O4S.H2/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-5(2,3)4;/h6-14H,5,15-16H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C21H27N6S.HO4S,,,,,,ZVVIGMZJYMRCAI-UHFFFAOYSA-M,,,,,,,,,,,
100.073.524,280-899-6,83803-80-9,1-butyl-4-(diethoxymethyl)benzene,1-butyl-4-(diethoxymethyl)benzene,CCCCc1ccc(cc1)C(OCC)OCC,CCCCc1ccc(cc1)C(OCC)OCC,"InChI=1/C15H24O2/c1-4-7-8-13-9-11-14(12-10-13)15(16-5-2)17-6-3/h9-12,15H,4-8H2,1-3H3",C15H24O2,,,,,,VZIJDIWCWDYVFM-UHFFFAOYSA-N,,,,,,,,,,,
100.073.525,280-901-5,83803-81-0,"Ethyl 4,4-dimethoxy-3-methyl-2-butenoate","ethyl 4,4-dimethoxy-3-methylbut-2-enoate",CC(=CC(=O)OCC)C(OC)OC,CC(=CC(=O)OCC)C(OC)OC,"InChI=1/C9H16O4/c1-5-13-8(10)6-7(2)9(11-3)12-4/h6,9H,5H2,1-4H3",C9H16O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18014,https://echa.europa.eu/substance-information/-/substanceinfo/100.073.525,MYHCWGDFZQZTQA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.531,280-907-8,83803-87-6,Sodium 3-(4-benzoyl-3-hydroxyphenoxy)propanesulphonate,sodium 3-(4-benzoyl-3-hydroxyphenoxy)propane-1-sulfonate,[Na+].Oc1cc(OCCCS(=O)(=O)[O-])ccc1C(=O)c2ccccc2,[Na+].Oc1cc(OCCCS(=O)(=O)[O-])ccc1C(=O)c2ccccc2,"InChI=1/C16H16O6S.Na/c17-15-11-13(22-9-4-10-23(19,20)21)7-8-14(15)16(18)12-5-2-1-3-6-12;/h1-3,5-8,11,17H,4,9-10H2,(H,19,20,21);/q;+1/p-1",C16H16O6S.Na,,,,,,UOBGNSLGCSKLLK-UHFFFAOYSA-M,,,,,,,,,,,
100.073.534,280-910-4,83803-90-1,4-[3-(dimethylamino)propoxy]-2-hydroxybenzophenone,{4-[3-(dimethylamino)propoxy]-2-hydroxyphenyl}(phenyl)methanone,CN(C)CCCOc1ccc(C(=O)c2ccccc2)c(O)c1,CN(C)CCCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C18H21NO3/c1-19(2)11-6-12-22-15-9-10-16(17(20)13-15)18(21)14-7-4-3-5-8-14/h3-5,7-10,13,20H,6,11-12H2,1-2H3",C18H21NO3,,,,,,XJIAATSRRWEFEX-UHFFFAOYSA-N,,,,,,,,,,,
100.073.535,280-912-5,83803-91-2,[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl] phenyl ketone hydrochloride,{4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl}(phenyl)methanone hydrochloride,Cl.CN(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,Cl.CN(C)CCOc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C17H19NO3.ClH/c1-18(2)10-11-21-14-8-9-15(16(19)12-14)17(20)13-6-4-3-5-7-13;/h3-9,12,19H,10-11H2,1-2H3;1H",C17H19NO3.ClH,,,,,,DRIGWUADCHORFV-UHFFFAOYSA-N,,,,,,,,,,,
100.073.539,280-916-7,83803-95-6,2'-(4-methylbenzoyl)-2-naphthohydrazide,N'-(4-methylbenzoyl)-2-naphthohydrazide,Cc1ccc(cc1)C(=O)NNC(=O)c2ccc3ccccc3c2,Cc1ccc(cc1)C(=O)NNC(=O)c2ccc3ccccc3c2,"InChI=1/C19H16N2O2/c1-13-6-8-15(9-7-13)18(22)20-21-19(23)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3,(H,20,22)(H,21,23)",C19H16N2O2,,,,,,MZJUACPKDPRXTP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.540,280-917-2,83803-96-7,2'-(3-methylbenzoyl)-2-naphthohydrazide,N'-(3-methylbenzoyl)-2-naphthohydrazide,Cc1cccc(c1)C(=O)NNC(=O)c2ccc3ccccc3c2,Cc1cccc(c1)C(=O)NNC(=O)c2ccc3ccccc3c2,"InChI=1/C19H16N2O2/c1-13-5-4-8-16(11-13)18(22)20-21-19(23)17-10-9-14-6-2-3-7-15(14)12-17/h2-12H,1H3,(H,20,22)(H,21,23)",C19H16N2O2,,,,,,NOZDWMYGSUBAEE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.315,279-571-5,80822-73-7,Strontium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-1-hydroxy-2-naphthoate (1:1),strontium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-1-hydroxy-2-naphthoate,[SrH2].Cc1cc(c(cc1Cl)N=Nc3cc(C([O-])=O)c(O)c2ccccc23)S([O-])(=O)=O,[SrH2].Cc1cc(c(cc1Cl)N=Nc3cc(C([O-])=O)c(O)c2ccccc23)S([O-])(=O)=O,"InChI=1/C18H13ClN2O6S.Sr.2H/c1-9-6-16(28(25,26)27)15(8-13(9)19)21-20-14-7-12(18(23)24)17(22)11-5-3-2-4-10(11)14;;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;;/q;+2;;/p-2/rC18H13ClN2O6S.H2Sr/c1-9-6-16(28(25,26)27)15(8-13(9)19)21-20-14-7-12(18(23)24)17(22)11-5-3-2-4-10(11)14;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);1H2/q;+2/p-2",C18H13ClN2O6S.Sr,,,,,,QHSYJINFCCJZTE-UHFFFAOYSA-L,,,,,,,,,,,
100.072.319,279-575-7,80842-08-6,(1-methyl-3-piperidinyl)methyl (4-chlorophenoxy)acetate hydrochloride,(1-methylpiperidin-3-yl)methyl (4-chlorophenoxy)acetate hydrochloride,Cl.CN1CCCC(COC(=O)COc2ccc(Cl)cc2)C1,Cl.CN1CCCC(COC(=O)COc2ccc(Cl)cc2)C1,"InChI=1/C15H20ClNO3.ClH/c1-17-8-2-3-12(9-17)10-20-15(18)11-19-14-6-4-13(16)5-7-14;/h4-7,12H,2-3,8-11H2,1H3;1H",C15H20ClNO3.ClH,,,,,,JHJOZTMFSDMYCE-UHFFFAOYSA-N,,,,,,,,,,,
100.072.320,279-576-2,80858-47-5,[2-(cyclohexyloxy)ethyl]benzene,[2-(cyclohexyloxy)ethyl]benzene,C(Cc1ccccc1)OC2CCCCC2,C(Cc1ccccc1)OC2CCCCC2,"InChI=1/C14H20O/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2",C14H20O,,,,,,HLMIVULQFMULRM-UHFFFAOYSA-N,,,,,,,,,,,
100.072.322,279-578-3,80866-75-7,3-methyl-4-nitrobenzyl alcohol,(3-methyl-4-nitrophenyl)methanol,Cc1cc(CO)ccc1[N+](=O)[O-],Cc1cc(CO)ccc1[N+](=O)[O-],"InChI=1/C8H9NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,10H,5H2,1H3",C8H9NO3,,,,,,KOVQGYQQVNCUBR-UHFFFAOYSA-N,,,,,,,,,,,
100.072.328,279-585-1,80866-81-5,1-(p-chlorophenyl)cyclopropanemethanol,[1-(4-chlorophenyl)cyclopropyl]methanol,OCC1(CC1)c2ccc(Cl)cc2,OCC1(CC1)c2ccc(Cl)cc2,"InChI=1/C10H11ClO/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4,12H,5-7H2",C10H11ClO,,,,,,BGZFRSZKNNOKSW-UHFFFAOYSA-N,,,,,,,,,,,
100.072.334,279-591-4,80866-87-1,Methoxyphenyl(trifluoromethyl)acetonitrile,"3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile",COC(C#N)(c1ccccc1)C(F)(F)F,COC(C#N)(c1ccccc1)C(F)(F)F,"InChI=1/C10H8F3NO/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-6H,1H3",C10H8F3NO,,,,,,UBOJBAYKXZRZHI-UHFFFAOYSA-N,,,,,,,,,,,
100.072.336,279-594-0,80866-91-7,2-bromopyridine 1-oxide hydrochloride,2-bromopyridine 1-oxide hydrochloride,Cl.[O-][n+]1ccccc1Br,Cl.[O-][n+]1ccccc1Br,InChI=1/C5H4BrNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H,C5H4BrNO.ClH,,,,,,FRYPQGMFDZBQEW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.042,301-293-0,93983-05-2,Sodium 2-(4-aminophenyl)-6-methylbenzothiazolesulphonate,"sodium 2-(4-aminophenyl)-6-methyl-2,3-dihydro-1,3-benzothiazole-2-sulfonate",[Na+].Cc1ccc2NC(Sc2c1)(c3ccc(N)cc3)S(=O)(=O)[O-],[Na+].Cc1ccc2NC(Sc2c1)(c3ccc(N)cc3)S(=O)(=O)[O-],"InChI=1/C14H14N2O3S2.Na/c1-9-2-7-12-13(8-9)20-14(16-12,21(17,18)19)10-3-5-11(15)6-4-10;/h2-8,16H,15H2,1H3,(H,17,18,19);/q;+1/p-1",C14H12N2O3S2.Na,,,,,,FTZKCHJUCUBJDH-UHFFFAOYSA-M,,,,,,,,,,,
100.092.986,302-331-9,94107-94-5,"Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulphonate","sodium 1-amino-4-{[3-(isopropylcarbamoyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CC(C)NC(=O)c1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c1,[Na+].CC(C)NC(=O)c1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c1,"InChI=1/C24H21N3O6S.Na/c1-12(2)26-24(30)13-6-5-7-14(10-13)27-17-11-18(34(31,32)33)21(25)20-19(17)22(28)15-8-3-4-9-16(15)23(20)29;/h3-12,27H,25H2,1-2H3,(H,26,30)(H,31,32,33);/q;+1/p-1",C24H21N3O6S.Na,,,,,,RAUAAKTVCYLZKP-UHFFFAOYSA-M,,,,,,,,,,,
100.092.987,302-332-4,94107-96-7,"4-[[4-(dimethylamino)phenyl]iminomethyl]-N,N,N-trimethylanilinium methyl sulphate","4-({[4-(dimethylamino)phenyl]imino}methyl)-N,N,N-trimethylanilinium methyl sulfate",CN(C)c2ccc(N=Cc1ccc(cc1)[N+](C)(C)C)cc2.[O-]S(=O)(=O)OC,CN(C)c2ccc(N=Cc1ccc(cc1)[N+](C)(C)C)cc2.[O-]S(=O)(=O)OC,"InChI=1/C18H24N3.CH4O4S/c1-20(2)17-10-8-16(9-11-17)19-14-15-6-12-18(13-7-15)21(3,4)5;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C18H24N3.CH3O4S,,,,,,KOTQVWGDAGINHD-UHFFFAOYSA-M,,,,,,,,,,,
100.092.991,302-337-1,94108-00-6,Sodium nonyl phthalate,sodium 2-[(nonyloxy)carbonyl]benzoate,[Na+].CCCCCCCCCOC(=O)c1ccccc1C(=O)[O-],[Na+].CCCCCCCCCOC(=O)c1ccccc1C(=O)[O-],"InChI=1/C17H24O4.Na/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19;/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19);/q;+1/p-1",C17H24O4.Na,,,,,,JHDVLLBHVWBRDZ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.160,299-223-6,93857-89-7,"3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethylbenzoselenazolium iodide","3-ethyl-2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5,6-dimethyl-1,3-benzoselenazol-3-ium iodide",[I-].CC[n+]3c4cc(C)c(C)cc4[se]c3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC,[I-].CC[n+]3c4cc(C)c(C)cc4[se]c3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC,-,C26H31N2OSe2.I,,,,,,GDQMJSAAANRSIT-UHFFFAOYSA-M,,,,,,,,,,,
100.090.166,299-229-9,93857-95-5,Hexacosyl methacrylate,hexacosyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C30H58O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-30(31)29(2)3/h2,4-28H2,1,3H3",C30H58O2,,,,,,VLASYNJZKUULNK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.049,301-300-7,93983-12-1,"Heptaammonium hydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","heptaammonium hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.7H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);7*1H3/p-1",C6H20N2O12P4.7H3N,,,,,,JHPAYIOHFKRLFW-UHFFFAOYSA-M,,,,,,,,,,,
100.092.050,301-301-2,93983-13-2,2-chloroveratryl alcohol,"(2-chloro-3,4-dimethoxyphenyl)methanol",COc1ccc(CO)c(Cl)c1OC,COc1ccc(CO)c(Cl)c1OC,"InChI=1/C9H11ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5H2,1-2H3",C9H11ClO3,,,,,,ZXYBQLFOEYWYBM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.051,301-302-8,93983-14-3,"2-chloro-1-(chloromethyl)-3,4-dimethoxybenzene","2-chloro-1-(chloromethyl)-3,4-dimethoxybenzene",COc1ccc(CCl)c(Cl)c1OC,COc1ccc(CCl)c(Cl)c1OC,"InChI=1/C9H10Cl2O2/c1-12-7-4-3-6(5-10)8(11)9(7)13-2/h3-4H,5H2,1-2H3",C9H10Cl2O2,,,,,,ZRCXRIHUKHLNFX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.057,301-309-6,93983-20-1,"2-ethyl-2-[[2-(hydroxymethyl)-2-(methoxymethyl)butoxy]methyl]propane-1,3-diol","2-ethyl-2-{[2-(hydroxymethyl)-2-(methoxymethyl)butoxy]methyl}propane-1,3-diol",CCC(CO)(CO)COCC(CC)(CO)COC,CCC(CO)(CO)COCC(CC)(CO)COC,"InChI=1/C13H28O5/c1-4-12(6-14,7-15)10-18-11-13(5-2,8-16)9-17-3/h14-16H,4-11H2,1-3H3",C13H28O5,,,,,,QEQRZPQWKNGRII-UHFFFAOYSA-N,,,,,,,,,,,
100.092.063,301-315-9,93983-26-7,Pentapotassium trihydrogen [ethylenebis[nitrilobis(methylene)]]tetrakisphosphonate,"pentapotassium trihydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.5K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;/q;5*+1/p-8",C6H20N2O12P4.5K,,,,,,IAUVWXXAJJAVEB-UHFFFAOYSA-F,,,,,,,,,,,
100.092.064,301-316-4,93983-27-8,"Heptapotassium hydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","heptapotassium hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.7K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;/q;7*+1/p-8",C6H20N2O12P4.7K,,,,,,FYIDGTKIRRXTAB-UHFFFAOYSA-F,,,,,,,,,,,
100.089.000,297-946-1,93776-19-3,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] hydrogen phosphate","bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C38H9F70O4P/c39-5(40,9(45,46)13(53,54)17(61,62)21(69,70)25(77,78)29(85,86)33(93,94)31(89,90)27(81,82)23(73,74)19(65,66)15(57,58)11(49,50)7(43,35(97,98)99)36(100,101)102)1-3-111-113(109,110)112-4-2-6(41,42)10(47,48)14(55,56)18(63,64)22(71,72)26(79,80)30(87,88)34(95,96)32(91,92)28(83,84)24(75,76)20(67,68)16(59,60)12(51,52)8(44,37(103,104)105)38(106,107)108/h1-4H2,(H,109,110)",C38H9F70O4P,,,,,,QHIGFJQLSNDTTI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.001,297-947-7,93776-20-6,"Ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) phosphate","ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H9F34O4P.H3N/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54;/h1-4H2,(H,55,56);1H3",C20H9F34O4P.H3N,,,,,,JNZVTKOEMWLMOF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.002,297-948-2,93776-21-7,"Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl] phosphate","ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C24H9F42O4P.H3N/c25-5(26,7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)63)1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66;/h1-4H2,(H,67,68);1H3",C24H9F42O4P.H3N,,,,,,MUIQKLWXCDMTSP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.469,299-563-5,93892-76-3,Nonaammonium pentahydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"nonaammonium pentahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.9H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);9*1H3/p-5",C15H44N5O21P7.9H3N,,,,,,UVFDXNBMAWMUFW-UHFFFAOYSA-I,,,,,,,,,,,
100.090.472,299-566-1,93892-79-6,Tetradecaammonium [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"tetradecaammonium [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.14H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);14*1H3",C15H44N5O21P7.14H3N,,,,,,YAXTUNCSPJGMKS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.475,299-569-8,93892-82-1,"Decasodium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","decasodium hexahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.10Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;/q;10*+1/p-16",C18H52N6O24P8.10Na,,,,,,WNEWNUCLRJLDID-UHFFFAOYSA-A,,,,,,,,,,,
100.063.617,270-000-5,68399-94-0,"1-amino-9,10-dihydro-4-[[4-[(2-hydroxyethyl)sulphonyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-({4-[(2-hydroxyethyl)sulfonyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(cc4)S(=O)(=O)CCO)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(cc4)S(=O)(=O)CCO)cc1S(=O)(=O)O,"InChI=1/C22H18N2O8S2/c23-20-17(34(30,31)32)11-16(24-12-5-7-13(8-6-12)33(28,29)10-9-25)18-19(20)22(27)15-4-2-1-3-14(15)21(18)26/h1-8,11,24-25H,9-10,23H2,(H,30,31,32)",C22H18N2O8S2,,,,,,FDTPKQJEJXREHN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.619,270-002-6,68399-96-2,Sodium 4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]benzenesulphonate,sodium 4-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2)S([O-])(=O)=O)c3O,[Na+].COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2)S([O-])(=O)=O)c3O,"InChI=1/C24H19N3O6S.Na/c1-33-21-9-5-4-8-20(21)25-24(29)19-14-15-6-2-3-7-18(15)22(23(19)28)27-26-16-10-12-17(13-11-16)34(30,31)32;/h2-14,28H,1H3,(H,25,29)(H,30,31,32);/q;+1/p-1",C24H19N3O6S.Na,,,,,,SSQXLKTUJVKPPE-UHFFFAOYSA-M,,,,,,,,,,,
100.064.110,270-543-8,68443-63-0,Butyl 2-ethylhexanoate,butyl 2-ethylhexanoate,CCCCOC(=O)C(CC)CCCC,CCCCOC(=O)C(CC)CCCC,"InChI=1/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3",C12H24O2,,,,,,USPADFUBVAGYOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.819,276-824-1,72762-00-6,Pyridin-2-ol,pyridin-2-ol,Oc1ccccn1,Oc1ccccn1,"InChI=1/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",C5H5NO,,,,,,UBQKCCHYAOITMY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.842,276-849-8,72797-24-1,"1,1'-(1,9-dioxononane-1,9-diyl)bis(2-methylaziridine)","1,1'-(1,9-dioxononane-1,9-diyl)bis(2-methylaziridine)",CC1CN1C(=O)CCCCCCCC(=O)N2CC2C,CC1CN1C(=O)CCCCCCCC(=O)N2CC2C,"InChI=1/C15H26N2O2/c1-12-10-16(12)14(18)8-6-4-3-5-7-9-15(19)17-11-13(17)2/h12-13H,3-11H2,1-2H3",C15H26N2O2,,,,,,ACWZISJYAYAEPT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.845,276-852-4,72806-66-7,2-(2-methoxyethoxy)aniline,2-(2-methoxyethoxy)aniline,COCCOc1ccccc1N,COCCOc1ccccc1N,"InChI=1/C9H13NO2/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5H,6-7,10H2,1H3",C9H13NO2,,,,,,GGVZNGYEHJHVMK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.846,276-854-5,72808-15-2,1-[2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]ethan-1-one,1-(5-isopropyl-2-methylcyclohex-2-en-1-yl)ethanone,CC(C)C1CC=C(C)C(C1)C(=O)C,CC(C)C1CC=C(C)C(C1)C(=O)C,"InChI=1/C12H20O/c1-8(2)11-6-5-9(3)12(7-11)10(4)13/h5,8,11-12H,6-7H2,1-4H3",C12H20O,,,,,,JKBPVNRFABYKGU-UHFFFAOYSA-N,,,,,,,,,,,
100.065.650,272-236-4,68784-30-5,"Phosphorodithioic acid, mixed O,O-bis(sec-Bu and 1,3-dimethylbutyl) esters","O-sec-butyl O-(1,3-dimethylbutyl) hydrogen dithiophosphate",CCC(C)OP(=S)(S)OC(C)CC(C)C,CCC(C)OP(=S)(S)OC(C)CC(C)C,"InChI=1/C10H23O2PS2/c1-6-9(4)11-13(14,15)12-10(5)7-8(2)3/h8-10H,6-7H2,1-5H3,(H,14,15)",-,,,,,,KRJZWRMOMAVUBC-UHFFFAOYSA-N,,,,,,,,,,,
100.065.654,272-241-1,68784-34-9,"Phosphorodithioic acid, mixed O,O-bis(hexyl and iso-Bu) esters, zinc salts",zinc bis(O-hexyl O-isobutyl dithiophosphate),[Zn+2].CCCCCCOP(=S)([S-])OCC(C)C.CCCCCCOP(=S)([S-])OCC(C)C,[Zn+2].CCCCCCOP(=S)([S-])OCC(C)C.CCCCCCOP(=S)([S-])OCC(C)C,"InChI=1/2C10H23O2PS2.Zn/c2*1-4-5-6-7-8-11-13(14,15)12-9-10(2)3;/h2*10H,4-9H2,1-3H3,(H,14,15);/q;;+2/p-2",-,,,,,,RHKSOURXPQKBTH-UHFFFAOYSA-L,,,,,,,,,,,
100.065.655,272-242-7,68784-38-3,"1-Propanamine, 3-(C8-10-alkyloxy) derivs.",3-(nonyloxy)propan-1-amine,CCCCCCCCCOCCCN,CCCCCCCCCOCCCN,"InChI=1/C12H27NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-13H2,1H3",-,,,,,,ZINQYRQLEDIWQS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.949,273-664-4,68992-00-7,"Methyl N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate","dimethyl 3,3'-({4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-5-(propionylamino)phenyl}imino)dipropanoate (non-preferred name)",COc2cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc2N(CCC(=O)OC)CCC(=O)OC)NC(=O)CC,COc2cc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(cc2N(CCC(=O)OC)CCC(=O)OC)NC(=O)CC,"InChI=1/C24H28N6O10/c1-5-22(31)25-17-13-20(28(10-8-23(32)39-3)11-9-24(33)40-4)21(38-2)14-18(17)27-26-16-7-6-15(29(34)35)12-19(16)30(36)37/h6-7,12-14H,5,8-11H2,1-4H3,(H,25,31)",C24H28N6O10,,,,,,DQHAOOGYAZZHJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.951,273-667-0,68992-02-9,"Tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 3-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O)c5cccc(c56)S([O-])(=O)=O)nc(Cl)n7,[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c3cc(ccc34)S([O-])(=O)=O)c5cccc(c56)S([O-])(=O)=O)nc(Cl)n7,"InChI=1/C33H22ClN9O12S4.4Na/c34-31-37-32(35)39-33(38-31)36-26-12-11-24(20-4-2-6-28(30(20)26)58(50,51)52)43-42-23-9-10-25(21-15-17(56(44,45)46)7-8-18(21)23)41-40-16-13-22-19(29(14-16)59(53,54)55)3-1-5-27(22)57(47,48)49;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4",C33H22ClN9O12S4.4Na,,,,,,ZZMATQLWXCUYFJ-UHFFFAOYSA-J,,,,,,,,,,,
100.072.341,279-599-8,80866-96-2,"2,6-dichloro-4-mesylaniline","2,6-dichloro-4-(methylsulfonyl)aniline",CS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1,CS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1,"InChI=1/C7H7Cl2NO2S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3",C7H7Cl2NO2S,,,,,,JMVVMLXAGZVYMB-UHFFFAOYSA-N,,,,,,,,,,,
100.072.347,279-605-9,80867-35-2,3-methylundecane-3-thiol,3-methylundecane-3-thiol,CCCCCCCCC(C)(S)CC,CCCCCCCCC(C)(S)CC,"InChI=1/C12H26S/c1-4-6-7-8-9-10-11-12(3,13)5-2/h13H,4-11H2,1-3H3",C12H26S,,,,,,HOYBEZVNIJFLHG-UHFFFAOYSA-N,,,,,,,,,,,
100.072.348,279-606-4,80867-37-4,5-ethyldecane-5-thiol,5-ethyldecane-5-thiol,CCCCCC(S)(CC)CCCC,CCCCCC(S)(CC)CCCC,"InChI=1/C12H26S/c1-4-7-9-11-12(13,6-3)10-8-5-2/h13H,4-11H2,1-3H3",C12H26S,,,,,,ZRHZLIPVCIQJNE-UHFFFAOYSA-N,,,,,,,,,,,
100.075.410,282-977-5,84501-57-5,"4-[(4-hydroxyphenyl)(4-hydroxy-m-tolyl)methylene]cyclohexa-2,5-dien-1-one, sodium salt",-,[Na+].Cc1cc(ccc1O)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3,[Na+].Cc1cc(ccc1O)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3,"InChI=1/C20H16O3.Na/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21,23H,1H3;/q;+1",C20H16O3.xNa,,,,,,KEUMVQPFAKZHTG-UHFFFAOYSA-N,,,,,,,,,,,
100.075.412,282-979-6,84501-59-7,"Sebacic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine","decanedioic acid - N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine (1:1)",NCCNCCNCCNCCN.OC(=O)CCCCCCCCC(=O)O,NCCNCCNCCNCCN.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C8H23N5/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2,(H,11,12)(H,13,14);11-13H,1-10H2",C10H18O4.xC8H23N5,,,,,,LDMKFNBIDDQHDR-UHFFFAOYSA-N,,,,,,,,,,,
100.075.416,282-983-8,84501-63-3,2-(methylthio)-1H-imidazolium bromide,2-(methylsulfanyl)-1H-imidazol-1-ium bromide,[Br-].CSC1=NC=C[NH+]1,[Br-].CSC1=NC=C[NH+]1,"InChI=1/C4H6N2S.BrH/c1-7-4-5-2-3-6-4;/h2-3H,1H3,(H,5,6);1H",C4H6N2S.BrH,,,,,,IDUZEHNIYZGZBV-UHFFFAOYSA-N,,,,,,,,,,,
100.075.418,282-985-9,84501-65-5,"3,4,5-trichlorosalicylic acid","3,4,5-trichloro-2-hydroxybenzoic acid",OC(=O)c1cc(Cl)c(Cl)c(Cl)c1O,OC(=O)c1cc(Cl)c(Cl)c(Cl)c1O,"InChI=1/C7H3Cl3O3/c8-3-1-2(7(12)13)6(11)5(10)4(3)9/h1,11H,(H,12,13)",C7H3Cl3O3,,,,,,LTBFHRWFTNPESC-UHFFFAOYSA-N,,,,,,,,,,,
100.076.534,284-217-8,84812-73-7,4-(3-oxobutyl)phenyl 2-methylbutyrate,4-(3-oxobutyl)phenyl 2-methylbutanoate,CCC(C)C(=O)Oc1ccc(CCC(=O)C)cc1,CCC(C)C(=O)Oc1ccc(CCC(=O)C)cc1,"InChI=1/C15H20O3/c1-4-11(2)15(17)18-14-9-7-13(8-10-14)6-5-12(3)16/h7-11H,4-6H2,1-3H3",C15H20O3,,,,,,DTINVFQEAGADMV-UHFFFAOYSA-N,,,,,,,,,,,
100.076.542,284-226-7,84823-49-4,Benzhydryl a-(1-hydroxyethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate,diphenylmethyl 3-hydroxy-2-(2-{[(4-methylphenyl)sulfonyl]sulfanyl}-4-oxo-3-[(phenoxyacetyl)amino]azetidin-1-yl)but-2-enoate,OC(C)=C(C(=O)OC(c1ccccc1)c2ccccc2)N5C(=O)C(NC(=O)COc3ccccc3)C5SS(=O)(=O)c4ccc(C)cc4,OC(C)=C(C(=O)OC(c1ccccc1)c2ccccc2)N5C(=O)C(NC(=O)COc3ccccc3)C5SS(=O)(=O)c4ccc(C)cc4,"InChI=1/C35H32N2O8S2/c1-23-18-20-28(21-19-23)47(42,43)46-34-30(36-29(39)22-44-27-16-10-5-11-17-27)33(40)37(34)31(24(2)38)35(41)45-32(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-21,30,32,34,38H,22H2,1-2H3,(H,36,39)",C35H32N2O8S2,,,,,,JYBFYDOVDDHVMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.076.544,284-228-8,84824-77-1,2-methyl-1H-imidazole-4-carbodithioic acid,2-methyl-1H-imidazole-4-carbodithioic acid,Cc1nc(c[nH]1)C(=S)S,Cc1nc(c[nH]1)C(=S)S,"InChI=1/C5H6N2S2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)",C5H6N2S2,,,,,,IZYGCWIXHKMALW-UHFFFAOYSA-N,,,,,,,,,,,
100.076.546,284-230-9,84824-79-3,2-undecyl-1H-imidazole-4-carbodithioic acid,2-undecyl-1H-imidazole-4-carbodithioic acid,CCCCCCCCCCCc1nc(c[nH]1)C(=S)S,CCCCCCCCCCCc1nc(c[nH]1)C(=S)S,"InChI=1/C15H26N2S2/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(17-14)15(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)",C15H26N2S2,,,,,,JLPZJNSJPMYRJA-UHFFFAOYSA-N,,,,,,,,,,,
100.076.550,284-235-6,84824-83-9,2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl chloroacetate,2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl chloroacetate,CS(=O)(=O)c1ccc(cc1)C(O)C(COC(=O)CCl)NC(=O)C(Cl)Cl,CS(=O)(=O)c1ccc(cc1)C(O)C(COC(=O)CCl)NC(=O)C(Cl)Cl,"InChI=1/C14H16Cl3NO6S/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-15)18-14(21)13(16)17/h2-5,10,12-13,20H,6-7H2,1H3,(H,18,21)",C14H16Cl3NO6S,,,,,,ZSZQRRIQRPRATF-UHFFFAOYSA-N,,,,,,,,,,,
100.076.559,284-245-0,84824-92-0,4-(3-phenylpropyl)pyridine 1-oxide,4-(3-phenylpropyl)pyridine 1-oxide,[O-][n+]1ccc(CCCc2ccccc2)cc1,[O-][n+]1ccc(CCCc2ccccc2)cc1,"InChI=1/C14H15NO/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2",C14H15NO,,,,,,OOFBEJNEUVLZOW-UHFFFAOYSA-N,,,,,,,,,,,
100.073.545,280-923-5,83804-01-7,Tris[1-(methylphenyl)ethyl]phenol,"2,3,4-tris[1-(2-methylphenyl)ethyl]phenol",CC(c1ccccc1C)c2ccc(O)c(C(C)c3ccccc3C)c2C(C)c4ccccc4C,CC(c1ccccc1C)c2ccc(O)c(C(C)c3ccccc3C)c2C(C)c4ccccc4C,"InChI=1/C33H36O/c1-21-13-7-10-16-27(21)24(4)30-19-20-31(34)33(26(6)29-18-12-9-15-23(29)3)32(30)25(5)28-17-11-8-14-22(28)2/h7-20,24-26,34H,1-6H3",C33H36O,,,,,,UWDAPGQTJHDQRR-UHFFFAOYSA-N,,,,,,,,,,,
100.092.078,301-332-1,94005-96-6,Dibutylammonium isobutyrate,N-butylbutan-1-aminium 2-methylpropanoate,CCCC[NH2+]CCCC.CC(C)C(=O)[O-],CCCC[NH2+]CCCC.CC(C)C(=O)[O-],"InChI=1/C8H19N.C4H8O2/c1-3-5-7-9-8-6-4-2;1-3(2)4(5)6/h9H,3-8H2,1-2H3;3H,1-2H3,(H,5,6)",C8H19N.C4H8O2,,,,,,LFOILQFZRLMLGW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.079,301-333-7,94005-97-7,Isobutylammonium isobutyrate,2-methylpropan-1-aminium 2-methylpropanoate,CC(C)C[NH3+].CC(C)C(=O)[O-],CC(C)C[NH3+].CC(C)C(=O)[O-],"InChI=1/C4H11N.C4H8O2/c1-4(2)3-5;1-3(2)4(5)6/h4H,3,5H2,1-2H3;3H,1-2H3,(H,5,6)",C4H11N.C4H8O2,,,,,,XCQOQTXTVHAEHP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.082,301-336-3,94006-00-5,Bis[(S)-nicotine] citrate,"3-(1-methylpyrrolidin-2-yl)pyridine 2-hydroxypropane-1,2,3-tricarboxylate (2:1) (salt)",CN1CCC[C@H]1c2cccnc2.CN3CCC[C@H]3c4cccnc4.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN1CCC[C@H]1c2cccnc2.CN3CCC[C@H]3c4cccnc4.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/2C10H14N2.C6H8O7/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C10H14N2.1/2C6H8O7,,,,,,YUYVXGFHICNTBI-RCWTXCDDSA-N,,,,,,,,,,,
100.092.085,301-340-5,94006-04-9,2-amino-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide monohydrochloride,N-[2-(2-chlorobenzoyl)-4-nitrophenyl]glycinamide hydrochloride,Cl.NCC(=O)Nc1ccc(cc1C(=O)c2ccccc2Cl)[N+](=O)[O-],Cl.NCC(=O)Nc1ccc(cc1C(=O)c2ccccc2Cl)[N+](=O)[O-],"InChI=1/C15H12ClN3O4.ClH/c16-12-4-2-1-3-10(12)15(21)11-7-9(19(22)23)5-6-13(11)18-14(20)8-17;/h1-7H,8,17H2,(H,18,20);1H",C15H12ClN3O4.ClH,,,,,,LIUNSHRFYDLAAB-UHFFFAOYSA-N,,,,,,,,,,,
100.088.981,297-925-7,93776-00-2,"1,1'-[oxybis[(1-methylethylene)oxy]]bis[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadecan-2-ol]","1,1'-[oxybis(propane-2,1-diyloxy)]bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadecan-2-ol)",CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C36H24F50O5/c1-9(5-89-7-11(87)3-13(37,38)15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)25(61,62)27(65,66)29(69,70)31(73,74)33(77,78)35(81,82)83)91-10(2)6-90-8-12(88)4-14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(59,60)26(63,64)28(67,68)30(71,72)32(75,76)34(79,80)36(84,85)86/h9-12,87-88H,3-8H2,1-2H3",C36H24F50O5,,,,,,PXYNEDUJSONOLW-UHFFFAOYSA-N,,,,,,,,,,,
100.088.995,297-940-9,93776-14-8,"(2-carboxyethyl)-3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]propyldimethylammonium hydroxide","N-(2-carboxyethyl)-3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]-N,N-dimethylpropan-1-aminium hydroxide",[OH-].C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)O,[OH-].C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)O,"InChI=1/C19H23F17N2O3.H2O/c1-38(2,7-4-11(40)41)6-3-5-37-9-10(39)8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36;/h10,37,39H,3-9H2,1-2H3;1H2",C19H23F17N2O3,,,,,,MTSVVFTVWNRJDE-UHFFFAOYSA-N,,,,,,,,,,,
100.088.998,297-944-0,93776-17-1,"[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecan-1-yl][bis(2-hydroxyethyl)]methylammonium iodide","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyltridecan-1-aminium iodide",[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C18H19F21NO3.HI/c1-40(2-4-41,3-5-42)7-8(43)6-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39;/h8,41-43H,2-7H2,1H3;1H/q+1;/p-1",C18H19F21NO3.I,,,,,,MUAOZRGEITXUSH-UHFFFAOYSA-M,,,,,,,,,,,
100.090.194,299-260-8,93858-28-7,"8-amino-5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonic acid","8-amino-5-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonic acid",Nc1c2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Cl)n5)c(c4)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1c2C(=O)c3c(cccc3S(=O)(=O)O)C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Cl)n5)c(c4)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C23H14Cl2N6O11S3/c24-21-29-22(25)31-23(30-21)28-10-5-4-8(6-13(10)44(37,38)39)27-11-7-14(45(40,41)42)18(26)17-16(11)19(32)9-2-1-3-12(43(34,35)36)15(9)20(17)33/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31)",C23H14Cl2N6O11S3,,,,,,JNJRVGKGIHKXBW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.482,299-577-1,93892-90-1,"2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulpho-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonic acid","2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonic acid",Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)cc2C)c3cccc(c34)S(O)(=O)=O)nc(Cl)n5,Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)cc2C)c3cccc(c34)S(O)(=O)=O)nc(Cl)n5,"InChI=1/C27H22ClN9O9S3/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33)",C27H22ClN9O9S3,,,,,,QFGRYMRXLSEGSS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.483,299-578-7,93892-91-2,"7-[[2-[(aminocarbonyl)amino]-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-2-sulphophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid","7-{[4-{[4-({5-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]-2-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-2-(carbamoylamino)phenyl]diazenyl}naphthalene-1,3,6-trisulfonic acid",OS(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4)c(cc5)S(O)(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,OS(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4)c(cc5)S(O)(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,"InChI=1/C40H28ClN11O18S5/c41-37-48-39(45-18-5-7-23(24(11-18)46-38(43)55)51-52-26-14-22-16(10-30(26)74(65,66)67)9-19(71(56,57)58)13-29(22)73(62,63)64)50-40(49-37)47-25-12-17(6-8-28(25)72(59,60)61)44-27-15-31(75(68,69)70)34(42)33-32(27)35(53)20-3-1-2-4-21(20)36(33)54/h1-15,44H,42H2,(H3,43,46,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,45,47,48,49,50)",C40H28ClN11O18S5,,,,,,BTOVZOFJXVYECN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.489,299-585-5,93892-98-9,"2-[(1,1-dimethylethyl)tetradecylamino]ethyl methacrylate hydrobromide",2-[tert-butyl(tetradecyl)amino]ethyl 2-methylacrylate hydrobromide,Br.CCCCCCCCCCCCCCN(CCOC(=O)C(=C)C)C(C)(C)C,Br.CCCCCCCCCCCCCCN(CCOC(=O)C(=C)C)C(C)(C)C,"InChI=1/C24H47NO2.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25(24(4,5)6)20-21-27-23(26)22(2)3;/h2,7-21H2,1,3-6H3;1H",C24H47NO2.BrH,,,,,,DAYYPHNBDRMOMU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.345,302-727-1,94133-65-0,"Methyl 1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxylate","methyl 1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carboxylate",COC(=O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,COC(=O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C17H9Cl2F3O2/c1-24-16(23)14-7-13-12(5-9(18)6-15(13)19)11-4-8(17(20,21)22)2-3-10(11)14/h2-7H,1H3",C17H9Cl2F3O2,,,,,,AIKJZSWXLMBBJK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.348,302-730-8,94133-68-3,"1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]ethanone","1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]ethanone",CC(=O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,CC(=O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C17H9Cl2F3O/c1-8(23)12-7-15-14(5-10(18)6-16(15)19)13-4-9(17(20,21)22)2-3-11(12)13/h2-7H,1H3",C17H9Cl2F3O,,,,,,MZJVEQJITLSVMB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.357,302-740-2,94133-77-4,Calcium 2-(4-chloro-2-methylphenoxy)propionate,calcium bis[2-(4-chloro-2-methylphenoxy)propanoate],[Ca+2].CC(Oc1ccc(Cl)cc1C)C(=O)[O-].CC(Oc2ccc(Cl)cc2C)C(=O)[O-],[Ca+2].CC(Oc1ccc(Cl)cc1C)C(=O)[O-].CC(Oc2ccc(Cl)cc2C)C(=O)[O-],"InChI=1/2C10H11ClO3.Ca/c2*1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h2*3-5,7H,1-2H3,(H,12,13);/q;;+2/p-2",C10H11ClO3.1/2Ca,,,,,,XMEVFGZCMYDHEG-UHFFFAOYSA-L,,,,,,,,,,,
100.093.364,302-748-6,94133-84-3,2-amino-2-phenylbutyrate sodium,sodium 2-amino-2-phenylbutanoate,[Na+].CCC(N)(C(=O)[O-])c1ccccc1,[Na+].CCC(N)(C(=O)[O-])c1ccccc1,"InChI=1/C10H13NO2.Na/c1-2-10(11,9(12)13)8-6-4-3-5-7-8;/h3-7H,2,11H2,1H3,(H,12,13);/q;+1/p-1",C10H13NO2.Na,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/6554,https://echa.europa.eu/substance-information/-/substanceinfo/100.093.364,DWMNPNADAQLXPU-UHFFFAOYSA-M,,,,,,,,,,,
100.093.373,302-758-0,94133-93-4,"N,N-bis(hydroxymethyl)docosanamide","N,N-bis(hydroxymethyl)docosanamide",CCCCCCCCCCCCCCCCCCCCCC(=O)N(CO)CO,CCCCCCCCCCCCCCCCCCCCCC(=O)N(CO)CO,"InChI=1/C24H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)25(22-26)23-27/h26-27H,2-23H2,1H3",C24H49NO3,,,,,,ZTEZOZYPRLUDGM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.004,297-950-3,93776-23-9,"Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl] phosphate","ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl) phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C36H9F66O4P.H3N/c37-5(38,7(41,42)9(45,46)11(49,50)13(53,54)15(57,58)17(61,62)19(65,66)21(69,70)23(73,74)25(77,78)27(81,82)29(85,86)31(89,90)33(93,94)35(97,98)99)1-3-105-107(103,104)106-4-2-6(39,40)8(43,44)10(47,48)12(51,52)14(55,56)16(59,60)18(63,64)20(67,68)22(71,72)24(75,76)26(79,80)28(83,84)30(87,88)32(91,92)34(95,96)36(100,101)102;/h1-4H2,(H,103,104);1H3",C36H9F66O4P.H3N,,,,,,OGDIQSOBOWNNQC-UHFFFAOYSA-N,,,,,,,,,,,
100.066.959,273-675-4,68998-31-2,Cerium trirubidium bis(phosphate),cerium trirubidium bis(phosphate),[Rb+].[Rb+].[Rb+].[Ce+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Rb+].[Rb+].[Rb+].[Ce+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/Ce.2H3O4P.3Rb/c;2*1-5(2,3)4;;;/h;2*(H3,1,2,3,4);;;/q+3;;;3*+1/p-6",Ce.2H3O4P.3Rb,,,,,,SJBMUTFQDMPLIU-UHFFFAOYSA-H,,,,,,,,,,,
100.066.963,273-680-1,69003-01-6,4-methyl-2-oxo-2H-1-benzopyran-7-yl (E)-9-octadecenoate,4-methyl-2-oxo-2H-chromen-7-yl octadec-9-enoate,CCCCCCCC\\C=C\\CCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,CCCCCCCC\C=C\CCCCCCCC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C,"InChI=1/C28H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(29)31-24-19-20-25-23(2)21-28(30)32-26(25)22-24/h10-11,19-22H,3-9,12-18H2,1-2H3",C28H40O4,,,,,,NKQFKJYKCVDLPT-ZHACJKMWSA-N,,,,,,,,,,,
100.066.964,273-681-7,69003-47-0,Sodium N-(2-carboxyethyl)-N-(1-oxododecyl)-ß-alaninate,sodium 3-[(2-carboxyethyl)(dodecanoyl)amino]propanoate,[Na+].CCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)[O-],"InChI=1/C18H33NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19(14-12-17(21)22)15-13-18(23)24;/h2-15H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1",C18H33NO5.Na,,,,,,ATVSSLLGMPQIQW-UHFFFAOYSA-M,,,,,,,,,,,
100.066.965,273-682-2,69007-46-1,"6-(1,1-dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one","6-tert-butyl-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one",CC(C)(C)C1CCC2=C(CCC(=O)C2)C1,CC(C)(C)C1CCC2=C(CCC(=O)C2)C1,"InChI=1/C14H22O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h12H,4-9H2,1-3H3",C14H22O,,,,,,OKACDABQAFZGBN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.966,273-683-8,69009-90-1,"Diisopropyl-1,1'-biphenyl","2,2'-diisopropylbiphenyl",CC(C)c1ccccc1c2ccccc2C(C)C,CC(C)c1ccccc1c2ccccc2C(C)C,"InChI=1/C18H22/c1-13(2)15-9-5-7-11-17(15)18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3",C18H22,,,,,,MZVCUTVPCIOAJD-UHFFFAOYSA-N,,,,,,,,,,,
100.066.975,273-693-2,69011-11-6,Sodium carbonate sulfate,-,[Na+].[O-]C(=O)[O-].[O-]S(=O)(=O)[O-],[Na+].[O-]C(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/CH2O3.Na.H2O4S/c2-1(3)4;;1-5(2,3)4/h(H2,2,3,4);;(H2,1,2,3,4)/q;+1;/p-4",-,,,,,,FTZNYGSHSMZEIA-UHFFFAOYSA-J,,,,,,,,,,,
100.069.855,276-863-4,72814-26-7,Diethyl 2-[(aminocarbonyl)(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate,diethyl 2-[carbamoyl(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate,CCOC(=O)CCCCCCC(N(CCC(O)C1CCCCC1)C(=O)N)C(=O)OCC,CCOC(=O)CCCCCCC(N(CCC(O)C1CCCCC1)C(=O)N)C(=O)OCC,"InChI=1/C23H42N2O6/c1-3-30-21(27)15-11-6-5-10-14-19(22(28)31-4-2)25(23(24)29)17-16-20(26)18-12-8-7-9-13-18/h18-20,26H,3-17H2,1-2H3,(H2,24,29)",C23H42N2O6,,,,,,FBGRKWRYTJJONG-UHFFFAOYSA-N,,,,,,,,,,,
100.065.222,271-766-3,68607-67-0,"Schiff bases, C11-14-tert-alkyl methylene","9,9-dimethyl-N-methylenedecan-1-amine",CC(C)(C)CCCCCCCCN=C,CC(C)(C)CCCCCCCCN=C,"InChI=1/C13H27N/c1-13(2,3)11-9-7-5-6-8-10-12-14-4/h4-12H2,1-3H3",-,,,,,,ARRIHXFCXUXJNI-UHFFFAOYSA-N,,,,,,,,,,,
100.065.689,272-279-9,68784-88-3,Ethyl(2-hydroxyethyl)[2-(octadecenoylamino)ethyl]ammonium ethyl sulphate,N-ethyl-2-hydroxy-N-[2-(octadec-2-enoylamino)ethyl]ethanaminium ethyl sulfate,OCC[NH+](CC)CCNC(=O)C=CCCCCCCCCCCCCCCC.[O-]S(=O)(=O)OCC,OCC[NH+](CC)CCNC(=O)C=CCCCCCCCCCCCCCCC.[O-]S(=O)(=O)OCC,"InChI=1/C24H48N2O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27;1-2-6-7(3,4)5/h18-19,27H,3-17,20-23H2,1-2H3,(H,25,28);2H2,1H3,(H,3,4,5)",C24H48N2O2.C2H6O4S,,,,,,ALGDOESZXSUJBN-UHFFFAOYSA-N,,,,,,,,,,,
100.065.695,272-286-7,68784-95-2,1-(benzyl)-2-methylquinolinium chloride,1-benzyl-2-methylquinolinium chloride,[Cl-].Cc1ccc2ccccc2[n+]1Cc3ccccc3,[Cl-].Cc1ccc2ccccc2[n+]1Cc3ccccc3,"InChI=1/C17H16N.ClH/c1-14-11-12-16-9-5-6-10-17(16)18(14)13-15-7-3-2-4-8-15;/h2-12H,13H2,1H3;1H/q+1;/p-1",C17H16N.Cl,,,,,,BELVPZCHFHNMFQ-UHFFFAOYSA-M,,,,,,,,,,,
100.065.708,272-300-1,68797-47-7,2-(methacryloyloxy)ethylammonium hydrogen sulphate,2-(methacryloyloxy)ethanaminium hydrogen sulfate,CC(=C)C(=O)OCC[NH3+].[O-]S(=O)(=O)[O-],CC(=C)C(=O)OCC[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/C6H11NO2.H2O4S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;(H2,1,2,3,4)/p-1",C6H11NO2.H2O4S,,,,,,LRBSRRALUJHYDS-UHFFFAOYSA-M,,,,,,,,,,,
100.065.709,272-301-7,68797-49-9,"Disodium 1-(1,3-dimethylbutyl) 2-sulphonatosuccinate","disodium 4-(1,3-dimethylbutoxy)-4-oxo-3-sulfonatobutanoate",[Na+].[Na+].CC(C)CC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CC(C)CC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H18O7S.2Na/c1-6(2)4-7(3)17-10(13)8(5-9(11)12)18(14,15)16;;/h6-8H,4-5H2,1-3H3,(H,11,12)(H,14,15,16);;/q;2*+1/p-2",C10H18O7S.2Na,,,,,,IAJZJSNXALVKIK-UHFFFAOYSA-L,,,,,,,,,,,
100.065.710,272-302-2,68797-51-3,Sodium [[(diethylamino)thioxomethyl]thio]acetate,sodium [(diethylcarbamothioyl)sulfanyl]acetate,[Na+].CCN(CC)C(=S)SCC(=O)[O-],[Na+].CCN(CC)C(=S)SCC(=O)[O-],"InChI=1/C7H13NO2S2.Na/c1-3-8(4-2)7(11)12-5-6(9)10;/h3-5H2,1-2H3,(H,9,10);/q;+1/p-1",C7H13NO2S2.Na,,,,,,RPIXSJGTMWDAHQ-UHFFFAOYSA-M,,,,,,,,,,,
100.065.717,272-310-6,68797-69-3,"5,6-didehydro-2-hexyl-4,7-dihydro-1,3-dioxepin","2-hexyl-5,6-didehydro-4,7-dihydro-1,3-dioxepine",CCCCCCC1OCC#CCO1,CCCCCCC1OCC#CCO1,"InChI=1/C11H18O2/c1-2-3-4-5-8-11-12-9-6-7-10-13-11/h11H,2-5,8-10H2,1H3",C11H18O2,,,,,,OTEIBXNTZPRYOA-UHFFFAOYSA-N,,,,,,,,,,,
100.073.563,280-942-9,83817-41-8,"Triammonium hydrogen 7-hydroxy-8-[[4-[(m-phosphonatophenyl)azo]-2-sulphonatophenyl]azo]naphthalene-1,3-disulphonate",-,[H+].[NH4+].[NH4+].[NH4+].[O-]P([O-])(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[H+].[NH4+].[NH4+].[NH4+].[O-]P([O-])(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C22H17N4O13PS3.3H3N.H2/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30;;;;/h1-11,27H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);3*1H3;1H/q;;;;+1/p-2",C22H17N4O13PS3.3H3N,,,,,,HWIFLNYXTHEJTK-UHFFFAOYSA-M,,,,,,,,,,,
100.073.566,280-946-0,83817-44-1,"2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole","2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole",Brc1cccc(c1)c2oc(nn2)c3ccccc3,Brc1cccc(c1)c2oc(nn2)c3ccccc3,InChI=1/C14H9BrN2O/c15-12-8-4-7-11(9-12)14-17-16-13(18-14)10-5-2-1-3-6-10/h1-9H,C14H9BrN2O,,,,,,AWSLTYZLUOJESZ-UHFFFAOYSA-N,,,,,,,,,,,
100.073.572,280-952-3,83817-52-1,Potassium 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate,potassium 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate,[K+].Cc1onc(c2ccccc2Cl)c1C(=O)[O-],[K+].Cc1onc(c2ccccc2Cl)c1C(=O)[O-],"InChI=1/C11H8ClNO3.K/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12;/h2-5H,1H3,(H,14,15);/q;+1/p-1",C11H8ClNO3.K,,,,,,PQULLUAJSYUAIT-UHFFFAOYSA-M,,,,,,,,,,,
100.073.576,280-957-0,83817-56-5,5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzenesulphonic acid,5-chloro-3-(5-chloro-2-hydroxybenzyl)-2-hydroxybenzenesulfonic acid,Oc1ccc(Cl)cc1Cc2cc(Cl)cc(c2O)S(=O)(=O)O,Oc1ccc(Cl)cc1Cc2cc(Cl)cc(c2O)S(=O)(=O)O,"InChI=1/C13H10Cl2O5S/c14-9-1-2-11(16)7(4-9)3-8-5-10(15)6-12(13(8)17)21(18,19)20/h1-2,4-6,16-17H,3H2,(H,18,19,20)",C13H10Cl2O5S,,,,,,HZCMTSWVWXUEDR-UHFFFAOYSA-N,,,,,,,,,,,
100.073.581,280-962-8,83817-62-3,Methoxybis[(4-methoxyphenyl)methoxy]methylsilane,(methoxy{bis[(4-methoxybenzyl)oxy]}methyl)silane,COc1ccc(COC([SiH3])(OC)OCc2ccc(OC)cc2)cc1,COc1ccc(COC([SiH3])(OC)OCc2ccc(OC)cc2)cc1,"InChI=1/C18H24O5Si/c1-19-16-8-4-14(5-9-16)12-22-18(24,21-3)23-13-15-6-10-17(20-2)11-7-15/h4-11H,12-13H2,1-3,24H3",C18H24O5Si,,,,,,GFNXDNKBDGSFAV-UHFFFAOYSA-N,,,,,,,,,,,
100.064.607,271-089-3,68515-47-9,"1,2-Benzenedicarboxylic acid, di-C11-14-branched alkyl esters, C13-rich",bis(11-methyldodecyl) phthalate,CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C,"InChI=1/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15949,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.607,BCSGAWBQJHXXSE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.610,271-093-5,68515-50-4,"1,2-Benzenedicarboxylic acid, dihexyl ester, branched and linear",bis(4-methylpentyl) phthalate,CC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)C,CC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)C,"InChI=1/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3",-,,,,,,ALEROMXYYSQFLX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.917,274-732-6,70660-54-7,"N-[4-[(4-hydroxy[1,1'-biphenyl]-3-yl)azo]phenyl]acetamide",N-{4-[(4-hydroxybiphenyl-3-yl)diazenyl]phenyl}acetamide,Oc2ccc(cc2N=Nc1ccc(NC(C)=O)cc1)c3ccccc3,Oc2ccc(cc2N=Nc1ccc(NC(C)=O)cc1)c3ccccc3,"InChI=1/C20H17N3O2/c1-14(24)21-17-8-10-18(11-9-17)22-23-19-13-16(7-12-20(19)25)15-5-3-2-4-6-15/h2-13,25H,1H3,(H,21,24)",C20H17N3O2,,,,,,HMDMKWUYPKVKNM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.926,274-742-0,70682-62-1,Ammonium 6-aminonaphthalene-2-sulphonate,ammonium 6-aminonaphthalene-2-sulfonate,[NH4+].Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-],[NH4+].Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-],"InChI=1/C10H9NO3S.H3N/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6H,11H2,(H,12,13,14);1H3",C10H9NO3S.H3N,,,,,,CVCXFIHDLOZXIP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.927,274-743-6,70682-63-2,6-hydroxy-N-(2-hydroxyethyl)-N-methylnaphthalene-2-sulphonamide,6-hydroxy-N-(2-hydroxyethyl)-N-methylnaphthalene-2-sulfonamide,CN(CCO)S(=O)(=O)c1ccc2cc(O)ccc2c1,CN(CCO)S(=O)(=O)c1ccc2cc(O)ccc2c1,"InChI=1/C13H15NO4S/c1-14(6-7-15)19(17,18)13-5-3-10-8-12(16)4-2-11(10)9-13/h2-5,8-9,15-16H,6-7H2,1H3",C13H15NO4S,,,,,,BNGPSCLHKGSOLB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.928,274-744-1,70682-64-3,4-(4-cyclohexylphenoxy)aniline,4-(4-cyclohexylphenoxy)aniline,Nc1ccc(Oc2ccc(cc2)C3CCCCC3)cc1,Nc1ccc(Oc2ccc(cc2)C3CCCCC3)cc1,"InChI=1/C18H21NO/c19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h6-14H,1-5,19H2",C18H21NO,,,,,,LJKWNYNPDQDKSX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.931,274-747-8,70682-67-6,N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]stearamide,N-{2-[(2-cyanoethyl){2-[(2-cyanoethyl)amino]ethyl}amino]ethyl}octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N,"InChI=1/C28H53N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(34)32-24-27-33(25-18-21-30)26-23-31-22-17-20-29/h31H,2-19,22-27H2,1H3,(H,32,34)",C28H53N5O,,,,,,AJXLSPSYZHGABA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.933,274-749-9,70682-69-8,"Sodium 3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]isobutyrate","sodium 3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]-2-methylpropanoate",[Na+].CCCCCCCC1=NCCN1CCOCC(C)C(=O)[O-],[Na+].CCCCCCCC1=NCCN1CCOCC(C)C(=O)[O-],"InChI=1/C16H30N2O3.Na/c1-3-4-5-6-7-8-15-17-9-10-18(15)11-12-21-13-14(2)16(19)20;/h14H,3-13H2,1-2H3,(H,19,20);/q;+1/p-1",C16H30N2O3.Na,,,,,,LBUQSWLRXNWJAY-UHFFFAOYSA-M,,,,,,,,,,,
100.090.196,299-262-9,93858-30-1,"2,2'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulphonaphthalene-1,7-diyl)azo]]bisnaphthalene-1,5-disulphonic acid","2,2'-{1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfonaphthalene-1,7-diyl)diazene-2,1-diyl]}dinaphthalene-1,5-disulfonic acid",O=S(=O)(O)c%10c%11cccc(c%11ccc%10N=Nc1c(O)c9c(cc1S(O)(=O)=O)cc(cc9Nc2nc(nc(Cl)n2)Nc3ccc(cc3)Nc8nc(Nc6cc(cc7cc(c(N=Nc5ccc4c(cccc4c5S(O)(=O)=O)S(O)(=O)=O)c(O)c67)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n8)S(O)(=O)=O)S(=O)(O)=O,O=S(=O)(O)c%10c%11cccc(c%11ccc%10N=Nc1c(O)c9c(cc1S(O)(=O)=O)cc(cc9Nc2nc(nc(Cl)n2)Nc3ccc(cc3)Nc8nc(Nc6cc(cc7cc(c(N=Nc5ccc4c(cccc4c5S(O)(=O)=O)S(O)(=O)=O)c(O)c67)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n8)S(O)(=O)=O)S(=O)(O)=O,"InChI=1/C52H34Cl2N14O26S8/c53-47-59-49(63-51(61-47)57-33-19-25(95(71,72)73)15-21-17-37(99(83,84)85)41(43(69)39(21)33)67-65-31-13-11-27-29(45(31)101(89,90)91)3-1-5-35(27)97(77,78)79)55-23-7-9-24(10-8-23)56-50-60-48(54)62-52(64-50)58-34-20-26(96(74,75)76)16-22-18-38(100(86,87)88)42(44(70)40(22)34)68-66-32-14-12-28-30(46(32)102(92,93)94)4-2-6-36(28)98(80,81)82/h1-20,69-70H,(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64)",C52H34Cl2N14O26S8,,,,,,OSLIABUITLMFSL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.197,299-263-4,93858-31-2,"3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonaphthyl]azo]-6-sulphonaphthyl]azo]naphthalene-1,5-disulphonic acid","3-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthyl}diazenyl)-6-sulfo-1-naphthyl]diazenyl}naphthalene-1,5-disulfonic acid",Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)c3ccc(cc34)S(O)(=O)=O)c5cccc(c56)S(O)(=O)=O)nc(Cl)n7,Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)c3ccc(cc34)S(O)(=O)=O)c5cccc(c56)S(O)(=O)=O)nc(Cl)n7,"InChI=1/C33H22ClN9O12S4/c34-31-37-32(35)39-33(38-31)36-26-12-11-24(20-4-2-6-28(30(20)26)58(50,51)52)42-43-25-10-9-23(18-8-7-17(15-21(18)25)56(44,45)46)41-40-16-13-22-19(29(14-16)59(53,54)55)3-1-5-27(22)57(47,48)49/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39)",C33H22ClN9O12S4,,,,,,WVADRFDLRPRSOP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.206,299-273-9,93858-43-6,"5-(diethylamino)-2-[3-[5-(diethylamino)-1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propyl-3H-indolium perchlorate","5-(diethylamino)-2-{3-[5-(diethylamino)-3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-3,3-dimethyl-1-propyl-3H-indolium perchlorate",[O-]Cl(=O)(=O)=O.CCN(CC)c1cc4c(cc1)[N+](\\CCC)=C(\\C=CC=C3N(CCC)c2ccc(cc2C3(C)C)N(CC)CC)C4(C)C,[O-]Cl(=O)(=O)=O.CCN(CC)c1cc4c(cc1)[N+](\CCC)=C(\C=CC=C3N(CCC)c2ccc(cc2C3(C)C)N(CC)CC)C4(C)C,"InChI=1/C37H55N4.ClHO4/c1-11-24-40-32-22-20-28(38(13-3)14-4)26-30(32)36(7,8)34(40)18-17-19-35-37(9,10)31-27-29(39(15-5)16-6)21-23-33(31)41(35)25-12-2;2-1(3,4)5/h17-23,26-27H,11-16,24-25H2,1-10H3;(H,2,3,4,5)/q+1;/p-1",C37H55N4.ClO4,,,,,,NXNVNAKBDLWJHL-UHFFFAOYSA-M,,,,,,,,,,,
100.090.217,299-285-4,93858-54-9,4-chloroanilinium hydrogen sulphate,4-chloroanilinium hydrogen sulfate,[NH3+]c1ccc(Cl)cc1.[O-]S(=O)(=O)[O-],[NH3+]c1ccc(Cl)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C6H6ClN.H2O4S/c7-5-1-3-6(8)4-2-5;1-5(2,3)4/h1-4H,8H2;(H2,1,2,3,4)/p-1",C6H6ClN.H2O4S,,,,,,FVCNNBSVXVADEY-UHFFFAOYSA-M,,,,,,,,,,,
100.092.089,301-344-7,94006-08-3,"Dimethyl [[1-(2-ethoxy-2-oxoethyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl]methyl](2-methylpropyl)malonate","dimethyl {[1-(2-ethoxy-2-oxoethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]methyl}(isobutyl)malonate",CCOC(=O)CC1N(CC(CC(C)C)(C(=O)OC)C(=O)OC)CCc2cc(OC)c(OC)cc12,CCOC(=O)CC1N(CC(CC(C)C)(C(=O)OC)C(=O)OC)CCc2cc(OC)c(OC)cc12,"InChI=1/C25H37NO8/c1-8-34-22(27)13-19-18-12-21(31-5)20(30-4)11-17(18)9-10-26(19)15-25(14-16(2)3,23(28)32-6)24(29)33-7/h11-12,16,19H,8-10,13-15H2,1-7H3",C25H37NO8,,,,,,WTGSJCREXITWMD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.091,301-346-8,94006-10-7,"(8-ethoxy-3,7-dimethyl-8-oxo-2,4,6-octatrienyl)triphenylphosphonium chloride","(8-ethoxy-3,7-dimethyl-8-oxoocta-2,4,6-trien-1-yl)(triphenyl)phosphonium chloride",[Cl-].CCOC(=O)C(C)=CC=CC(C)=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,[Cl-].CCOC(=O)C(C)=CC=CC(C)=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3,"InChI=1/C30H32O2P.ClH/c1-4-32-30(31)26(3)16-14-15-25(2)23-24-33(27-17-8-5-9-18-27,28-19-10-6-11-20-28)29-21-12-7-13-22-29;/h5-23H,4,24H2,1-3H3;1H/q+1;/p-1",C30H32O2P.Cl,,,,,,GIUZTRKQAAYLIO-UHFFFAOYSA-M,,,,,,,,,,,
100.092.094,301-349-4,94006-13-0,"2,2,2-trichloro-1,1-dimethylethyl salicylate","2,2,2-trichloro-1,1-dimethylethyl salicylate",CC(C)(OC(=O)c1ccccc1O)C(Cl)(Cl)Cl,CC(C)(OC(=O)c1ccccc1O)C(Cl)(Cl)Cl,"InChI=1/C11H11Cl3O3/c1-10(2,11(12,13)14)17-9(16)7-5-3-4-6-8(7)15/h3-6,15H,1-2H3",C11H11Cl3O3,,,,,,JMBYJYPJYHTGKC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.107,301-364-6,94006-28-7,"Disodium propane-1,2-diolate","disodium propane-1,2-diolate",[Na+].[Na+].CC([O-])C[O-],[Na+].[Na+].CC([O-])C[O-],"InChI=1/C3H6O2.2Na/c1-3(5)2-4;;/h3H,2H2,1H3;;/q-2;2*+1",C3H8O2.2Na,,,,,,ZDXIWKQVLWFXOE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.109,301-366-7,94006-30-1,Bis(2-butoxyethyl) decyl phosphite,bis(2-butoxyethyl) decyl phosphite,CCCCCCCCCCOP(OCCOCCCC)OCCOCCCC,CCCCCCCCCCOP(OCCOCCCC)OCCOCCCC,"InChI=1/C22H47O5P/c1-4-7-10-11-12-13-14-15-18-25-28(26-21-19-23-16-8-5-2)27-22-20-24-17-9-6-3/h4-22H2,1-3H3",C22H47O5P,,,,,,GONWZGGBDSFWKH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.110,301-367-2,94006-31-2,2-butoxyethyl didecyl phosphite,2-butoxyethyl didecyl phosphite,CCCCCCCCCCOP(OCCCCCCCCCC)OCCOCCCC,CCCCCCCCCCOP(OCCCCCCCCCC)OCCOCCCC,"InChI=1/C26H55O4P/c1-4-7-10-12-14-16-18-20-23-28-31(30-26-25-27-22-9-6-3)29-24-21-19-17-15-13-11-8-5-2/h4-26H2,1-3H3",C26H55O4P,,,,,,CXHODNMQXAXVCG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.115,301-373-5,94006-36-7,2-(2-pyridylazo)-4-sulpho-1-naphthyl pivalate,"4-[(2,2-dimethylpropanoyl)oxy]-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonic acid",CC(C)(C)C(=O)Oc3c(N=Nc1ccccn1)cc(c2ccccc23)S(O)(=O)=O,CC(C)(C)C(=O)Oc3c(N=Nc1ccccn1)cc(c2ccccc23)S(O)(=O)=O,"InChI=1/C20H19N3O5S/c1-20(2,3)19(24)28-18-14-9-5-4-8-13(14)16(29(25,26)27)12-15(18)22-23-17-10-6-7-11-21-17/h4-12H,1-3H3,(H,25,26,27)",C20H19N3O5S,,,,,,AIOACQSIUYJNGF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.007,297-954-5,93776-26-2,"Ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl) phosphate","ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl] phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C30H9F54O4P.H3N/c31-5(32,9(37,38)13(45,46)17(53,54)21(61,62)25(69,70)23(65,66)19(57,58)15(49,50)11(41,42)7(35,27(73,74)75)28(76,77)78)1-3-87-89(85,86)88-4-2-6(33,34)10(39,40)14(47,48)18(55,56)22(63,64)26(71,72)24(67,68)20(59,60)16(51,52)12(43,44)8(36,29(79,80)81)30(82,83)84;/h1-4H2,(H,85,86);1H3",C30H9F54O4P.H3N,,,,,,JTYNPYXYRZDCAK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.008,297-955-0,93776-27-3,"Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] phosphate","ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C34H9F62O4P.H3N/c35-5(36,9(41,42)13(49,50)17(57,58)21(65,66)25(73,74)29(81,82)27(77,78)23(69,70)19(61,62)15(53,54)11(45,46)7(39,31(85,86)87)32(88,89)90)1-3-99-101(97,98)100-4-2-6(37,38)10(43,44)14(51,52)18(59,60)22(67,68)26(75,76)30(83,84)28(79,80)24(71,72)20(63,64)16(55,56)12(47,48)8(40,33(91,92)93)34(94,95)96;/h1-4H2,(H,97,98);1H3",C34H9F62O4P.H3N,,,,,,YFJAQIPQNPVIHY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.251,299-324-5,93858-89-0,"Hexadecapotassium [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate","hexadecapotassium [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.16K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;;/q;16*+1/p-16",C18H52N6O24P8.16K,,,,,,PYBZBDDWQUCGFF-UHFFFAOYSA-A,,,,,,,,,,,
100.090.255,299-328-7,93858-93-6,"Undecaammonium pentahydrogen [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate","undecaammonium pentahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.11H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);11*1H3/p-5",C18H52N6O24P8.11H3N,,,,,,QWORIGZVLUNZDN-UHFFFAOYSA-I,,,,,,,,,,,
100.087.142,295-900-5,92130-55-7,"O,O-dibutyl hydrogen thiophosphate, compound with (Z)-octadec-9-en-1-amine (1:1)","O,O-dibutyl hydrogen thiophosphate - octadec-9-en-1-amine (1:1)",CCCCCCCC\\C=C/CCCCCCCCN.CCCCOP(=O)(S)OCCCC,CCCCCCCC\C=C/CCCCCCCCN.CCCCOP(=O)(S)OCCCC,"InChI=1/C18H37N.C8H19O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3-5-7-10-12(9,13)11-8-6-4-2/h9-10H,2-8,11-19H2,1H3;3-8H2,1-2H3,(H,9,13)",C18H37N.C8H19O3PS,,,,,,NMEXMBFSABKLIJ-KVVVOXFISA-N,,,,,,,,,,,
100.087.144,295-902-6,92168-48-4,N-[(dibutylamino)methyl]methacrylamide,N-[(dibutylamino)methyl]-2-methylacrylamide,CCCCN(CCCC)CNC(=O)C(=C)C,CCCCN(CCCC)CNC(=O)C(=C)C,"InChI=1/C13H26N2O/c1-5-7-9-15(10-8-6-2)11-14-13(16)12(3)4/h3,5-11H2,1-2,4H3,(H,14,16)",C13H26N2O,,,,,,GPSNGXFIOROBMR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.040,297-991-7,93776-61-5,"Phosphoric acid, decyl ester, compd. with 2,2',2''-nitrilotris[ethanol]","decyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,CCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C10H23O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;8-4-1-7(2-5-9)3-6-10/h2-10H2,1H3,(H2,11,12,13);8-10H,1-6H2",-,,,,,,CUURWMQUSOKQFI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.049,298-001-6,93776-75-1,Cerium(4+) silicate(3:2),cerium(4+) silicate(3:2),[Ce+4].[Ce+4].[Ce+4].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[Ce+4].[Ce+4].[Ce+4].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/3Ce.2O3Si/c;;;2*1-4(2)3/q3*+4;2*-2,Ce.2/3H6O7Si2,,,,,,YBORCTBIRICTLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.383,276-344-2,72102-84-2,"5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid","5-[(6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)diazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione",O=C3NC(=O)NC(=O)C3N=Nc1cc2NC(=O)Nc2cc1C,O=C3NC(=O)NC(=O)C3N=Nc1cc2NC(=O)Nc2cc1C,"InChI=1/C12H10N6O4/c1-4-2-6-7(14-11(21)13-6)3-5(4)17-18-8-9(19)15-12(22)16-10(8)20/h2-3,8H,1H3,(H2,13,14,21)(H2,15,16,19,20,22)",C12H10N6O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11317,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.383,RITYHZCLJGBCAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.396,276-358-9,72138-85-3,Sodium 3-[[4-[(4-ethoxyphenyl)azo]-5-methoxy-o-tolyl]azo]benzenesulphonate,sodium 3-({4-[(4-ethoxyphenyl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)benzenesulfonate,[Na+].COc3cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(OCC)cc2,[Na+].COc3cc(N=Nc1cccc(c1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(OCC)cc2,"InChI=1/C22H22N4O5S.Na/c1-4-31-18-10-8-16(9-11-18)23-26-21-12-15(2)20(14-22(21)30-3)25-24-17-6-5-7-19(13-17)32(27,28)29;/h5-14H,4H2,1-3H3,(H,27,28,29);/q;+1/p-1",C22H22N4O5S.Na,,,,,,AXKDHJTWNVRBHB-UHFFFAOYSA-M,,,,,,,,,,,
100.069.397,276-359-4,72138-95-5,"N-(9,10,15,18,20,21-hexahydro-5,10,15,18,21-pentaoxo-5H-naphtho[2,3-h]naphth[2',3':6,7]indolo[2,3-b]acridin-4-yl)benzamide","N-(5,10,15,18,21-pentaoxo-9,10,15,18,20,21-hexahydro-5H-naphtho[2,3-h]naphtho[2',3':6,7]indolo[2,3-b]acridin-4-yl)benzamide",O=C(Nc1cccc2C(=O)c3c(ccc4c5cc6Nc7c(ccc8C(=O)c9ccccc9C(=O)c78)C(=O)c6cc5[nH]c34)C(=O)c12)c%10ccccc%10,O=C(Nc1cccc2C(=O)c3c(ccc4c5cc6Nc7c(ccc8C(=O)c9ccccc9C(=O)c78)C(=O)c6cc5[nH]c34)C(=O)c12)c%10ccccc%10,"InChI=1/C42H21N3O6/c46-37-21-9-4-5-10-22(21)39(48)33-24(37)15-16-26-36(33)44-31-17-27-20-13-14-25-34(35(20)43-30(27)18-28(31)38(26)47)41(50)23-11-6-12-29(32(23)40(25)49)45-42(51)19-7-2-1-3-8-19/h1-18,43H,(H,44,47)(H,45,51)",C42H21N3O6,,,,,,COBNLJAGLGQIIK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.754,273-451-6,68966-84-7,"Ethylmethylbenzene-1,3-diamine","2-propylbenzene-1,3-diamine",CCCc1c(N)cccc1N,CCCc1c(N)cccc1N,"InChI=1/C9H14N2/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6H,2,4,10-11H2,1H3",C9H14N2,,,,,,HMOCUHGQOHCHJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.777,273-476-2,68975-78-0,"N-[3-[[[(4,5-dihydro-2,4-dimethyl-1H-imidazol-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-4,5-dihydro-2,4-dimethyl-1H-imidazole-1-carboxamide","N-[3-({[(2,4-dimethyl-4,5-dihydro-1H-imidazol-1-yl)carbonyl]amino}methyl)-3,5,5-trimethylcyclohexyl]-2,4-dimethyl-4,5-dihydro-1H-imidazole-1-carboxamide",CC1CN(C(=O)NCC2(C)CC(CC(C)(C)C2)NC(=O)N3CC(C)N=C3C)C(=N1)C,CC1CN(C(=O)NCC2(C)CC(CC(C)(C)C2)NC(=O)N3CC(C)N=C3C)C(=N1)C,"InChI=1/C22H38N6O2/c1-14-10-27(16(3)24-14)19(29)23-13-22(7)9-18(8-21(5,6)12-22)26-20(30)28-11-15(2)25-17(28)4/h14-15,18H,8-13H2,1-7H3,(H,23,29)(H,26,30)",C22H38N6O2,,,,,,AERVMEVXZLZSML-UHFFFAOYSA-N,,,,,,,,,,,
100.065.728,272-322-1,68804-32-0,"4,7,7-trimethylbicyclo[4.1.0]heptane-3-carbaldehyde","4,7,7-trimethylbicyclo[4.1.0]heptane-3-carbaldehyde",CC1CC2C(CC1C=O)C2(C)C,CC1CC2C(CC1C=O)C2(C)C,"InChI=1/C11H18O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h6-10H,4-5H2,1-3H3",C11H18O,,,,,,KUMFUECLVYOXGL-UHFFFAOYSA-N,,,,,,,,,,,
100.065.730,272-324-2,68806-09-7,"Trisodium 2-[(1-hydroxy-3,6-disulphonato-2-naphthyl)azo]benzoate","trisodium 2-[(1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]benzoate",[Na+].[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc2c(cc1cc(ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc2c(cc1cc(ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C17H12N2O9S2.3Na/c20-16-11-6-5-10(29(23,24)25)7-9(11)8-14(30(26,27)28)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",C17H12N2O9S2.3Na,,,,,,XRGYWPFBDZEYSY-UHFFFAOYSA-K,,,,,,,,,,,
100.065.740,272-335-2,68814-09-5,"Ethanol, 2-(2-butoxyethoxy)-, phosphate",2-(2-butoxyethoxy)ethyl phosphate,CCCCOCCOCCOP(=O)([O-])[O-],CCCCOCCOCCOP(=O)([O-])[O-],"InChI=1/C8H19O6P/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h2-8H2,1H3,(H2,9,10,11)/p-2",-,,,,,,LKPWWJFRGYSIFA-UHFFFAOYSA-L,,,,,,,,,,,
100.065.741,272-336-8,68814-13-1,"1-Hexadecanol, phosphate",hexadecyl phosphate,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],CCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)/p-2",-,,,,,,ZUVCYFMOHFTGDM-UHFFFAOYSA-L,,,,,,,,,,,
100.069.408,276-372-5,72139-15-2,"Trisodium 4-hydroxy-5-[[4-(methylamino)-6-[[3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-hydroxy-5-{[4-(methylamino)-6-({3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}amino)-1,3,5-triazin-2-yl]amino}-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].CNc6nc(Nc3cc(cc2cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5cccc(Nc4nc(Cl)nc(Cl)c4Cl)c5)n6,[Na+].[Na+].[Na+].CNc6nc(Nc3cc(cc2cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5cccc(Nc4nc(Cl)nc(Cl)c4Cl)c5)n6,"InChI=1/C30H22Cl3N11O10S3.3Na/c1-34-28-40-29(36-15-6-4-5-14(11-15)35-26-22(31)25(32)38-27(33)39-26)42-30(41-28)37-18-12-16(55(46,47)48)9-13-10-20(57(52,53)54)23(24(45)21(13)18)44-43-17-7-2-3-8-19(17)56(49,50)51;;;/h2-12,45H,1H3,(H,35,38,39)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H3,34,36,37,40,41,42);;;/q;3*+1/p-3",C30H22Cl3N11O10S3.3Na,,,,,,CZBXNEJEYMCLHG-UHFFFAOYSA-K,,,,,,,,,,,
100.067.934,274-750-4,70682-70-1,"N,N'-[[(2-cyanoethyl)imino]diethylene]bisdocosanamide","N,N'-{[(2-cyanoethyl)imino]diethane-2,1-diyl}didocosanamide",CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCC#N,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCC#N,"InChI=1/C51H100N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-50(56)53-45-48-55(47-41-44-52)49-46-54-51(57)43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43,45-49H2,1-2H3,(H,53,56)(H,54,57)",C51H100N4O2,,,,,,CTJCAXHYNZCWLX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.937,274-754-6,70687-99-9,4-methyl-5-[4-[(1-methylethyl)thio]phenyl]-3-octyloxazolidin-2-one,"5-[4-(isopropylsulfanyl)phenyl]-4-methyl-3-octyl-1,3-oxazolidin-2-one",CCCCCCCCN1C(C)C(OC1=O)c2ccc(SC(C)C)cc2,CCCCCCCCN1C(C)C(OC1=O)c2ccc(SC(C)C)cc2,"InChI=1/C21H33NO2S/c1-5-6-7-8-9-10-15-22-17(4)20(24-21(22)23)18-11-13-19(14-12-18)25-16(2)3/h11-14,16-17,20H,5-10,15H2,1-4H3",C21H33NO2S,,,,,,UMRYNDVEINOMAE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.656,275-545-2,71501-13-8,Diethyl bis(1-methylpropyl)malonate,diethyl di-sec-butylmalonate,CCOC(=O)C(C(C)CC)(C(C)CC)C(=O)OCC,CCOC(=O)C(C(C)CC)(C(C)CC)C(=O)OCC,"InChI=1/C15H28O4/c1-7-11(5)15(12(6)8-2,13(16)18-9-3)14(17)19-10-4/h11-12H,7-10H2,1-6H3",C15H28O4,,,,,,LSWBHWKZVGFJSW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.663,275-553-6,71501-23-0,"4-(2,6-dimethylmorpholin-4-yl)benzenediazonium trichlorozincate","4-(2,6-dimethylmorpholin-4-yl)benzenediazonium trichlorozincate(1-)",CC1CN(CC(C)O1)c2ccc(cc2)[N+]#N.Cl[Zn-](Cl)Cl,CC1CN(CC(C)O1)c2ccc(cc2)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C12H16N3O.3ClH.Zn/c1-9-7-15(8-10(2)16-9)12-5-3-11(14-13)4-6-12;;;;/h3-6,9-10H,7-8H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC12H16N3O.Cl3Zn/c1-9-7-15(8-10(2)16-9)12-5-3-11(14-13)4-6-12;1-4(2)3/h3-6,9-10H,7-8H2,1-2H3;/q+1;-1",C12H16N3O.Cl3Zn,,,,,,RQOVIHNEOPKPDB-UHFFFAOYSA-K,,,,,,,,,,,
100.068.666,275-556-2,71501-27-4,1-chloro-2-[(2-chloroethyl)thio]benzene,1-chloro-2-[(2-chloroethyl)sulfanyl]benzene,ClCCSc1ccccc1Cl,ClCCSc1ccccc1Cl,"InChI=1/C8H8Cl2S/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4H,5-6H2",C8H8Cl2S,,,,,,HYBSVQIBUYRISZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.667,275-557-8,71501-28-5,(2-chloroethoxy)methanediol,(2-chloroethoxy)methanediol,OC(O)OCCCl,OC(O)OCCCl,"InChI=1/C3H7ClO3/c4-1-2-7-3(5)6/h3,5-6H,1-2H2",C3H7ClO3,,,,,,VHCHUZXKUGQCMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.668,275-558-3,71501-29-6,2-chlorobenzothiazol-4-ol,"2-chloro-1,3-benzothiazol-4-ol",Oc1cccc2sc(Cl)nc12,Oc1cccc2sc(Cl)nc12,"InChI=1/C7H4ClNOS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H",C7H4ClNOS,,,,,,SVGBAVVCBYGVCS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.674,275-565-1,71501-37-6,3-amino-2-chlorobenzenesulphonic acid,3-amino-2-chlorobenzenesulfonic acid,Nc1cccc(c1Cl)S(=O)(=O)O,Nc1cccc(c1Cl)S(=O)(=O)O,"InChI=1/C6H6ClNO3S/c7-6-4(8)2-1-3-5(6)12(9,10)11/h1-3H,8H2,(H,9,10,11)",C6H6ClNO3S,,,,,,IUYPGBXHRROEGG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.686,275-578-2,71501-50-3,"Benzoic acid, compound with sulphamoyl chloride (1:1)",sulfamoyl chloride benzoate,NS(=O)(=O)Cl.OC(=O)c1ccccc1,NS(=O)(=O)Cl.OC(=O)c1ccccc1,"InChI=1/C7H6O2.ClH2NO2S/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H,8,9);(H2,2,3,4)",C7H6O2.ClH2NO2S,,,,,,RNHSRDAXJMGMRK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.690,275-582-4,71501-54-7,5-chloro-2-tolylbenzenesulphonamide,5'-chloro-2'-methylbiphenyl-2-sulfonamide,Cc1ccc(Cl)cc1c2ccccc2S(=O)(=O)N,Cc1ccc(Cl)cc1c2ccccc2S(=O)(=O)N,"InChI=1/C13H12ClNO2S/c1-9-6-7-10(14)8-12(9)11-4-2-3-5-13(11)18(15,16)17/h2-8H,1H3,(H2,15,16,17)",C13H12ClNO2S,,,,,,XJYKIBRIQJRIRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.697,275-590-8,71519-94-3,Ethyl 3-[[5-(acetylamino)-2-methoxyphenyl]amino]butyrate,ethyl 3-[(5-acetamido-2-methoxyphenyl)amino]butanoate,CCOC(=O)CC(C)Nc1cc(NC(=O)C)ccc1OC,CCOC(=O)CC(C)Nc1cc(NC(=O)C)ccc1OC,"InChI=1/C15H22N2O4/c1-5-21-15(19)8-10(2)16-13-9-12(17-11(3)18)6-7-14(13)20-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18)",C15H22N2O4,,,,,,RSQNACZIAAOUOS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.698,275-591-3,71519-95-4,"2-[2,4-bis(tert-butyl)phenoxy]-5,5-dimethyl-1,3,2-dioxaphosphorinane","2-(2,4-di-tert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane",CC(C)(C)c1ccc(OP2OCC(C)(C)CO2)c(c1)C(C)(C)C,CC(C)(C)c1ccc(OP2OCC(C)(C)CO2)c(c1)C(C)(C)C,"InChI=1/C19H31O3P/c1-17(2,3)14-9-10-16(15(11-14)18(4,5)6)22-23-20-12-19(7,8)13-21-23/h9-11H,12-13H2,1-8H3",C19H31O3P,,,,,,DLOCWLUOVMSSII-UHFFFAOYSA-N,,,,,,,,,,,
100.067.949,274-767-7,70693-47-9,Pentamethyldisiloxanyl acetate,pentamethyldisiloxanyl acetate,CC(=O)O[Si](C)(C)O[Si](C)(C)C,CC(=O)O[Si](C)(C)O[Si](C)(C)C,"InChI=1/C7H18O3Si2/c1-7(8)9-12(5,6)10-11(2,3)4/h1-6H3",C7H18O3Si2,,,,,,QSPUKCHZOMPBLM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.950,274-768-2,70693-50-4,"2,4-bis(1-methyl-1-phenylethyl)-6-[(2-nitrophenyl)azo]phenol","2,4-bis(1-methyl-1-phenylethyl)-6-[(2-nitrophenyl)diazenyl]phenol",Oc2c(cc(cc2N=Nc1ccccc1[N+]([O-])=O)C(C)(C)c3ccccc3)C(C)(C)c4ccccc4,Oc2c(cc(cc2N=Nc1ccccc1[N+]([O-])=O)C(C)(C)c3ccccc3)C(C)(C)c4ccccc4,"InChI=1/C30H29N3O3/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)26(20-23)32-31-25-17-11-12-18-27(25)33(35)36/h5-20,34H,1-4H3",C30H29N3O3,,,,,,CZEIGGLJGJHNCD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.641,299-752-2,93894-53-2,"1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide","1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide",CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F,"InChI=1/C7H9F8NO3S/c1-16(2-3-17)20(18,19)7(14,15)6(12,13)5(10,11)4(8)9/h4,17H,2-3H2,1H3",C7H9F8NO3S,,,,,,HVRZEMISTDPHLI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.666,299-780-5,93904-41-7,"Disodium 1-amino-9,10-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].COc1ccc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-],[Na+].[Na+].COc1ccc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-],"InChI=1/C23H20N2O12S3.2Na/c1-36-17-7-6-12(38(28,29)9-8-37-40(33,34)35)10-15(17)25-16-11-18(39(30,31)32)21(24)20-19(16)22(26)13-4-2-3-5-14(13)23(20)27;;/h2-7,10-11,25H,8-9,24H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H20N2O12S3.2Na,,,,,,FFYZIGZNMFAHFO-UHFFFAOYSA-L,,,,,,,,,,,
100.090.222,299-291-7,93858-59-4,2-hydroxybutyl bromoacetate,2-hydroxybutyl bromoacetate,CCC(O)COC(=O)CBr,CCC(O)COC(=O)CBr,"InChI=1/C6H11BrO3/c1-2-5(8)4-10-6(9)3-7/h5,8H,2-4H2,1H3",C6H11BrO3,,,,,,DAIKRYIFVNVKRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.228,299-298-5,93858-65-2,"Barium 4,4-diethoxy-2,3-dihydroxybutyl phosphate","barium 4,4-diethoxy-2,3-dihydroxybutyl phosphate",[Ba+2].CCOC(OCC)C(O)C(O)COP(=O)([O-])[O-],[Ba+2].CCOC(OCC)C(O)C(O)COP(=O)([O-])[O-],"InChI=1/C8H19O8P.Ba/c1-3-14-8(15-4-2)7(10)6(9)5-16-17(11,12)13;/h6-10H,3-5H2,1-2H3,(H2,11,12,13);/q;+2/p-2",C8H19O8P.Ba,,,,,,CSWHLSBLRHSZCG-UHFFFAOYSA-L,,,,,,,,,,,
100.090.231,299-302-5,93858-68-5,Dipotassium 4-hydroxybutyl phosphate,dipotassium 4-hydroxybutyl phosphate,[K+].[K+].OCCCCOP(=O)([O-])[O-],[K+].[K+].OCCCCOP(=O)([O-])[O-],"InChI=1/C4H11O5P.2K/c5-3-1-2-4-9-10(6,7)8;;/h5H,1-4H2,(H2,6,7,8);;/q;2*+1/p-2",C4H11O5P.2K,,,,,,PQSDWINLVLKRMY-UHFFFAOYSA-L,,,,,,,,,,,
100.090.232,299-303-0,93858-69-6,"[(2,2,3,4,4,4-hexafluorobutoxy)methyl]oxirane","2-[(2,2,3,4,4,4-hexafluorobutoxy)methyl]oxirane",FC(C(F)(F)F)C(F)(F)COCC1CO1,FC(C(F)(F)F)C(F)(F)COCC1CO1,"InChI=1/C7H8F6O2/c8-5(7(11,12)13)6(9,10)3-14-1-4-2-15-4/h4-5H,1-3H2",C7H8F6O2,,,,,,OHNPHEFKAOEHSF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.233,299-304-6,93858-70-9,"Zinc octahydro-4,7-methano-1H-indenedicarboxylate (1:1)","zinc octahydro-1H-4,7-methanoindene-1,1-dicarboxylate",[Zn].[O-]C(=O)C1(CCC2C3CCC(C3)C12)C(=O)[O-],[Zn].[O-]C(=O)C1(CCC2C3CCC(C3)C12)C(=O)[O-],"InChI=1/C12H16O4.Zn/c13-10(14)12(11(15)16)4-3-8-6-1-2-7(5-6)9(8)12;/h6-9H,1-5H2,(H,13,14)(H,15,16);/q;+2/p-2",C12H16O4.Zn,,,,,,IFGXIMTVSVCAKD-UHFFFAOYSA-L,,,,,,,,,,,
100.090.244,299-316-1,93858-82-3,Sodium [(1-oxoallyl)amino]dodecane-1-sulphonate,sodium 1-(acryloylamino)dodecane-1-sulfonate,[Na+].CCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)[O-],"InChI=1/C15H29NO4S.Na/c1-3-5-6-7-8-9-10-11-12-13-15(21(18,19)20)16-14(17)4-2;/h4,15H,2-3,5-13H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1",C15H29NO4S.Na,,,,,,YTCPCFMBWJUMRH-UHFFFAOYSA-M,,,,,,,,,,,
100.091.876,301-109-9,93981-26-1,Sodium hydrogen 2-[(1-oxododecyl)amino]-4-sulphonatobutyrate,sodium hydrogen 2-(dodecanoylamino)-4-sulfonatobutanoate,[Na+].CCCCCCCCCCCC(=O)NC(CCS(=O)(=O)[O-])C(=O)[O-],[Na+].CCCCCCCCCCCC(=O)NC(CCS(=O)(=O)[O-])C(=O)[O-],"InChI=1/C16H31NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14(16(19)20)12-13-24(21,22)23;/h14H,2-13H2,1H3,(H,17,18)(H,19,20)(H,21,22,23);/q;+1/p-2",C16H31NO6S.Na,,,,,,JUYOBAMWUSWJGB-UHFFFAOYSA-L,,,,,,,,,,,
100.090.671,299-785-2,93904-46-2,"2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-3H-pyrazol-3-one, potassium sodium salt","2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-3H-pyrazol-3-one, potassium sodium salt",[K+].[Na+].OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cc(ccc2O)[N+]([O-])=O)C3=O,[K+].[Na+].OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cc(ccc2O)[N+]([O-])=O)C3=O,"InChI=1/C18H17N5O10S2.K.Na/c1-11-17(20-19-15-10-13(23(26)27)4-7-16(15)24)18(25)22(21-11)12-2-5-14(6-3-12)34(28,29)9-8-33-35(30,31)32;;/h2-7,10,17,24H,8-9H2,1H3,(H,30,31,32);;/q;2*+1",C18H17N5O10S2.xK.xNa,,,,,,JOPHVJDAOSNSKD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.675,299-789-4,93904-51-9,"3-ethyltetrahydro-2,5-dimethoxyfuran","3-ethyl-2,5-dimethoxytetrahydrofuran",CCC1CC(OC)OC1OC,CCC1CC(OC)OC1OC,"InChI=1/C8H16O3/c1-4-6-5-7(9-2)11-8(6)10-3/h6-8H,4-5H2,1-3H3",C8H16O3,,,,,,MHQJXBOSOJIRBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.680,299-795-7,93904-56-4,7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,7-isopropyl-5-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,CC(C)C1CC2CC(C=O)C1C=C2C,CC(C)C1CC2CC(C=O)C1C=C2C,"InChI=1/C13H20O/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h4,7-8,10-13H,5-6H2,1-3H3",C13H20O,,,,,,LKERFQHZNFIXLI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.685,299-800-2,93904-61-1,"(4aa,7ß,8aß)-3,4,4a,7,8,8a-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran","3,3,6,7-tetramethyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene",CC1C[C@H]2COC(C)(C)C[C@@H]2C=C1C,CC1C[C@H]2COC(C)(C)C[C@@H]2C=C1C,"InChI=1/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h5,10-12H,6-8H2,1-4H3",C13H22O,,,,,,HIHXXYCXFIAFGQ-RAMGSTBQSA-N,,,,,,,,,,,
100.089.062,298-015-2,93776-88-6,Sodium 3-(benzoyloxy)benzoate,sodium 3-(benzoyloxy)benzoate,[Na+].[O-]C(=O)c1cccc(OC(=O)c2ccccc2)c1,[Na+].[O-]C(=O)c1cccc(OC(=O)c2ccccc2)c1,"InChI=1/C14H10O4.Na/c15-13(16)11-7-4-8-12(9-11)18-14(17)10-5-2-1-3-6-10;/h1-9H,(H,15,16);/q;+1/p-1",C14H10O4.Na,,,,,,QFQFPFHUCRQDLH-UHFFFAOYSA-M,,,,,,,,,,,
100.089.073,298-027-8,93777-00-5,"1-(3,4-dihydroxyphenyl)-2-(ethylamino)propan-1-one","1-(3,4-dihydroxyphenyl)-2-(ethylamino)propan-1-one",CCNC(C)C(=O)c1ccc(O)c(O)c1,CCNC(C)C(=O)c1ccc(O)c(O)c1,"InChI=1/C11H15NO3/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8/h4-7,12-14H,3H2,1-2H3",C11H15NO3,,,,,,MMTPCMCJFNWHLO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.079,298-034-6,93777-06-1,"5-oxo-L-proline, compound with 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]piperazine-1-ethanol (2:1)",5-oxo-L-proline - 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol (2:1),OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1.OC(=O)[C@@H]5CCC(=O)N5.OC(=O)[C@@H]6CCC(=O)N6,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1.OC(=O)[C@@H]5CCC(=O)N5.OC(=O)[C@@H]6CCC(=O)N6,"InChI=1/C22H26F3N3OS.2C5H7NO3/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;2*7-4-2-1-3(6-4)5(8)9/h1-2,4-7,16,29H,3,8-15H2;2*3H,1-2H2,(H,6,7)(H,8,9)",C22H26F3N3OS.2C5H7NO3,,,,,,ZUJAHEXTOISUPZ-YHUPNWGDSA-N,,,,,,,,,,,
100.090.272,299-347-0,93859-11-1,"1-(6-isocyanatohexyl)-3,5-bis(3-isocyanato-p-tolyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1-(6-isocyanatohexyl)-3,5-bis(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione",Cc1ccc(cc1N=C=O)N2C(=O)N(CCCCCCN=C=O)C(=O)N(C2=O)c3ccc(C)c(c3)N=C=O,Cc1ccc(cc1N=C=O)N2C(=O)N(CCCCCCN=C=O)C(=O)N(C2=O)c3ccc(C)c(c3)N=C=O,"InChI=1/C26H24N6O6/c1-18-7-9-20(13-22(18)28-16-34)31-24(36)30(12-6-4-3-5-11-27-15-33)25(37)32(26(31)38)21-10-8-19(2)23(14-21)29-17-35/h7-10,13-14H,3-6,11-12H2,1-2H3",C26H24N6O6,,,,,,OOOQVEARCWMCMR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.282,299-358-0,93859-21-3,"2,2'-[sulphonylbis[(2-chloro-4,1-phenylene)oxy]]bisethanol","2,2'-{sulfonylbis[(2-chloro-4,1-phenylene)oxy]}diethanol",OCCOc1ccc(cc1Cl)S(=O)(=O)c2ccc(OCCO)c(Cl)c2,OCCOc1ccc(cc1Cl)S(=O)(=O)c2ccc(OCCO)c(Cl)c2,"InChI=1/C16H16Cl2O6S/c17-13-9-11(1-3-15(13)23-7-5-19)25(21,22)12-2-4-16(14(18)10-12)24-8-6-20/h1-4,9-10,19-20H,5-8H2",C16H16Cl2O6S,,,,,,XNJRPAPQYLXGPR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.283,299-359-6,93859-22-4,"2,2'-[sulphonylbis[(2-bromo-4,1-phenylene)oxy]]bisethanol","2,2'-{sulfonylbis[(2-bromo-4,1-phenylene)oxy]}diethanol",OCCOc1ccc(cc1Br)S(=O)(=O)c2ccc(OCCO)c(Br)c2,OCCOc1ccc(cc1Br)S(=O)(=O)c2ccc(OCCO)c(Br)c2,"InChI=1/C16H16Br2O6S/c17-13-9-11(1-3-15(13)23-7-5-19)25(21,22)12-2-4-16(14(18)10-12)24-8-6-20/h1-4,9-10,19-20H,5-8H2",C16H16Br2O6S,,,,,,QKJNRQLFZACAMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.285,299-361-7,93859-24-6,4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide,4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxy-2-naphthamide,Cc4ccc(Cl)cc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)C(N)=O)c3O,Cc4ccc(Cl)cc4NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2OC)C(N)=O)c3O,"InChI=1/C26H21ClN4O4/c1-14-7-9-17(27)13-20(14)29-26(34)19-11-15-5-3-4-6-18(15)23(24(19)32)31-30-21-12-16(25(28)33)8-10-22(21)35-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)",C26H21ClN4O4,,,,,,WIJSSSVUDKBGNP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.286,299-362-2,93859-25-7,"N-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-p-anisidine phosphate","4-methoxy-N-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]aniline phosphate",OP(O)(=O)O.COc1ccc(cc1)N=CC=C3N(C)c2ccccc2C3(C)C,OP(O)(=O)O.COc1ccc(cc1)N=CC=C3N(C)c2ccccc2C3(C)C,"InChI=1/C20H22N2O.H3O4P/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h5-14H,1-4H3;(H3,1,2,3,4)",C20H22N2O.H3O4P,,,,,,BSLGZRUHOXTFNE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.288,299-364-3,93859-27-9,"4,11-diamino-2-[(3-methoxypropyl)amino]-1H-cyclopent[b]anthracene-1,3,5,10(2H)-tetrone","4,11-diamino-2-[(3-methoxypropyl)amino]-1H-cyclopenta[b]anthracene-1,3,5,10(2H)-tetrone",COCCCNC1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,COCCCNC1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C21H19N3O5/c1-29-8-4-7-24-17-20(27)13-14(21(17)28)16(23)12-11(15(13)22)18(25)9-5-2-3-6-10(9)19(12)26/h2-3,5-6,17,24H,4,7-8,22-23H2,1H3",C21H19N3O5,,,,,,HLJSNIRVZGORDT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.931,302-270-8,94107-37-6,Potassium (R)-(4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxopropylidene)amino]acetate,potassium (4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxopropylidene)amino]acetate,[K+].COC(=O)C\\C(=N\\[C@@H](C(=O)[O-])c1ccc(O)cc1)\\C,[K+].COC(=O)C\C(=N\[C@@H](C(=O)[O-])c1ccc(O)cc1)\C,"InChI=1/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-6,12,15H,7H2,1-2H3,(H,17,18);/q;+1/p-1",C13H15NO5.K,,,,,,GQBMWKZONUKJHR-BJLSQTCJSA-M,,,,,,,,,,,
100.092.933,302-272-9,94107-39-8,N-(2-bromopropionyl)-3-phenyl-DL-alanine,N-(2-bromopropanoyl)-L-phenylalanine,CC(Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CC(Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C12H14BrNO3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)(H,16,17)",C12H14BrNO3,,,,,,DMSBFCNMHVOUMI-HTLJXXAVSA-N,,,,,,,,,,,
100.092.936,302-276-0,94107-42-3,"Oct-4-ene-1,8-diamine","oct-4-ene-1,8-diamine",NCCCC=CCCCN,NCCCC=CCCCN,"InChI=1/C8H18N2/c9-7-5-3-1-2-4-6-8-10/h1-2H,3-10H2",C8H18N2,,,,,,DRHRDPAGERBYMT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.414,276-378-8,72139-22-1,"Disodium 2-[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonate","disodium 2-[4-({4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1,4-disulfonate",[Na+].[Na+].Clc4c(F)nc(F)nc4Nc1ccc(cc1)N=NC3C(\\C)=N/N(c2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)C3=O,[Na+].[Na+].Clc4c(F)nc(F)nc4Nc1ccc(cc1)N=NC3C(\C)=N/N(c2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)C3=O,"InChI=1/C20H14ClF2N7O7S2.2Na/c1-9-16(19(31)30(29-9)13-8-12(38(32,33)34)6-7-14(13)39(35,36)37)28-27-11-4-2-10(3-5-11)24-18-15(21)17(22)25-20(23)26-18;;/h2-8,16H,1H3,(H,24,25,26)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C20H14ClF2N7O7S2.2Na,,,,,,NGHBKVPQCGDWEU-UHFFFAOYSA-L,,,,,,,,,,,
100.069.417,276-381-4,72143-21-6,2-hydroxyethyl 3-phenylpropionate,2-hydroxyethyl 3-phenylpropanoate,OCCOC(=O)CCc1ccccc1,OCCOC(=O)CCc1ccccc1,"InChI=1/C11H14O3/c12-8-9-14-11(13)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2",C11H14O3,,,,,,YVNBSYGHQJLAIN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.943,270-358-2,68425-56-9,"Phosphoric acid, octadecyl ester, compd. with 2,2',2''-nitrilotris[ethanol]","octadecyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C18H39O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;8-4-1-7(2-5-9)3-6-10/h2-18H2,1H3,(H2,19,20,21);8-10H,1-6H2",-,,,,,,HHWADTQVDUQGSB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.945,270-360-3,68425-60-5,Ammonium diisopropylnaphthalenesulphonate,"ammonium 2,3-diisopropylnaphthalene-1-sulfonate",[NH4+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-],[NH4+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-],"InChI=1/C16H20O3S.H3N/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);1H3",C16H20O3S.H3N,,,,,,CCIFHODZBDSCOI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.951,270-367-1,68425-67-2,"Boric acid, compd. with 2-aminoethanol",2-aminoethanol borate (salt),NCCO.OB(O)O,NCCO.OB(O)O,"InChI=1/C2H7NO.BH3O3/c3-1-2-4;2-1(3)4/h4H,1-3H2;2-4H",-,,,,,,QIDCRGDFWRMBJC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.957,270-373-4,68425-95-6,"N,N'-ethane-1,2-diylbisoctacosanamide","N,N'-ethane-1,2-diyldioctacosanamide",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C58H116N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-57(61)59-55-56-60-58(62)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-56H2,1-2H3,(H,59,61)(H,60,62)",C58H116N2O2,,,,,,LRTGNJNPQZYCSX-UHFFFAOYSA-N,,,,,,,,,,,
100.063.974,270-392-8,68427-34-9,"Potassium tetrasodium hydrogen bis[4-sulphonatonaphthalene-1,8-dicarboxylate]","potassium tetrasodium hydrogen bis[4-sulphonatonaphthalene-1,8-dicarboxylate]",[Na+].[Na+].[Na+].[Na+].[K+].[O-]C(=O)c1cccc2c(ccc(C(=O)[O-])c12)S(=O)(=O)[O-].[O-]C(=O)c3cccc4c(ccc(C(=O)[O-])c34)S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Na+].[K+].[O-]C(=O)c1cccc2c(ccc(C(=O)[O-])c12)S(=O)(=O)[O-].[O-]C(=O)c3cccc4c(ccc(C(=O)[O-])c34)S(=O)(=O)[O-],"InChI=1/2C12H8O7S.K.4Na/c2*13-11(14)7-3-1-2-6-9(20(17,18)19)5-4-8(10(6)7)12(15)16;;;;;/h2*1-5H,(H,13,14)(H,15,16)(H,17,18,19);;;;;/q;;5*+1/p-6",C12H8O7S.1/2K.2Na,,,,,,BXPXEECBLQNEND-UHFFFAOYSA-H,,,,,,,,,,,
100.066.782,273-482-5,68975-83-7,"N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]","N,N',N''-{(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]}tris(2-oxoazepane-1-carboxamide)",CC1(C)CC(CC(C)(CN2C(=O)N(CC3(C)CC(CC(C)(C)C3)NC(=O)N4CCCCCC4=O)C(=O)N(CC5(C)CC(CC(C)(C)C5)NC(=O)N6CCCCCC6=O)C2=O)C1)NC(=O)N7CCCCCC7=O,CC1(C)CC(CC(C)(CN2C(=O)N(CC3(C)CC(CC(C)(C)C3)NC(=O)N4CCCCCC4=O)C(=O)N(CC5(C)CC(CC(C)(C)C5)NC(=O)N6CCCCCC6=O)C2=O)C1)NC(=O)N7CCCCCC7=O,"InChI=1/C54H87N9O9/c1-49(2)25-37(55-43(67)58-22-16-10-13-19-40(58)64)28-52(7,31-49)34-61-46(70)62(35-53(8)29-38(26-50(3,4)32-53)56-44(68)59-23-17-11-14-20-41(59)65)48(72)63(47(61)71)36-54(9)30-39(27-51(5,6)33-54)57-45(69)60-24-18-12-15-21-42(60)66/h37-39H,10-36H2,1-9H3,(H,55,67)(H,56,68)(H,57,69)",C54H87N9O9,,,,,,XAUGVXXNNOTSRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.792,273-493-5,68987-41-7,"Benzene, ethylenated","1,3-divinylbenzene",C=Cc1cccc(C=C)c1,C=Cc1cccc(C=C)c1,"InChI=1/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2",-,,,,,,PRJNEUBECVAVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.121,298-080-7,93777-48-1,"Stearic acid, compound with (Z)-octadec-9-enylamine (1:1)",octadecanoic acid - octadec-9-en-1-amine (1:1),CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCC\\C=C/CCCCCCCCN,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCC\C=C/CCCCCCCCN,"InChI=1/C18H37N.C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-19H2,1H3;2-17H2,1H3,(H,19,20)",C18H37N.C18H36O2,,,,,,FNNFSGKGYOHYDK-KVVVOXFISA-N,,,,,,,,,,,
100.090.755,299-877-2,93917-96-5,"Dihydrogen (ethyl)[4-[a-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium","dihydrogen 3-[(ethyl{4-[{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}(4-sulfonatophenyl)methylene]-3-methylcyclohexa-2,5-dien-1-ylidene}ammonio)methyl]benzenesulfonate",[H+].[H+].C\\C4=C\\C(\\C=C/C4=C(c1ccc(cc1)S([O-])(=O)=O)c2ccc(cc2C)N(Cc3cccc(c3)S([O-])(=O)=O)CC)=[N+](CC)Cc5cccc(c5)S([O-])(=O)=O,[H+].[H+].C\C4=C\C(\C=C/C4=C(c1ccc(cc1)S([O-])(=O)=O)c2ccc(cc2C)N(Cc3cccc(c3)S([O-])(=O)=O)CC)=[N+](CC)Cc5cccc(c5)S([O-])(=O)=O,"InChI=1/C39H40N2O9S3.2H2/c1-5-40(25-29-9-7-11-35(23-29)52(45,46)47)32-15-19-37(27(3)21-32)39(31-13-17-34(18-14-31)51(42,43)44)38-20-16-33(22-28(38)4)41(6-2)26-30-10-8-12-36(24-30)53(48,49)50;;/h7-24H,5-6,25-26H2,1-4H3,(H2-,42,43,44,45,46,47,48,49,50);2*1H/q;2*+1/p-2",C39H40N2O9S3,,,,,,HNUMDFDFKDUHMA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.957,274-776-6,70693-60-6,Sodium 2-[[4-[(2-chlorobenzyl)ethylamino]-m-tolyl]azo]benzothiazole-6-sulphonate,"sodium 2-({4-[(2-chlorobenzyl)(ethyl)amino]-3-methylphenyl}diazenyl)-1,3-benzothiazole-6-sulfonate",[Na+].Clc4ccccc4CN(CC)c1ccc(cc1C)N=Nc2nc3ccc(cc3s2)S([O-])(=O)=O,[Na+].Clc4ccccc4CN(CC)c1ccc(cc1C)N=Nc2nc3ccc(cc3s2)S([O-])(=O)=O,"InChI=1/C23H21ClN4O3S2.Na/c1-3-28(14-16-6-4-5-7-19(16)24)21-11-8-17(12-15(21)2)26-27-23-25-20-10-9-18(33(29,30)31)13-22(20)32-23;/h4-13H,3,14H2,1-2H3,(H,29,30,31);/q;+1/p-1",C23H21ClN4O3S2.Na,,,,,,WJKZYROVBMHQHB-UHFFFAOYSA-M,,,,,,,,,,,
100.067.969,274-789-7,70704-03-9,Vinconate,"methyl 3-ethyl-2,3,3a,4-tetrahydro-1H-indolo[3,2,1-de][1,5]naphthyridine-6-carboxylate",CCN1CCc2c3C1CC=C(C(=O)OC)n3c4ccccc24,CCN1CCc2c3C1CC=C(C(=O)OC)n3c4ccccc24,"InChI=1/C18H20N2O2/c1-3-19-11-10-13-12-6-4-5-7-14(12)20-16(18(21)22-2)9-8-15(19)17(13)20/h4-7,9,15H,3,8,10-11H2,1-2H3",C18H20N2O2,,,,,,JWOSSISWAJNJIA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.972,274-792-3,70708-28-0,a-[2-(1-pyrrolidinyl)ethyl]-a-(p-tolyl)pyridine-2-methanol,1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol,Cc1ccc(cc1)C(O)(CCN2CCCC2)c3ccccn3,Cc1ccc(cc1)C(O)(CCN2CCCC2)c3ccccn3,"InChI=1/C19H24N2O/c1-16-7-9-17(10-8-16)19(22,18-6-2-3-12-20-18)11-15-21-13-4-5-14-21/h2-3,6-10,12,22H,4-5,11,13-15H2,1H3",C19H24N2O,,,,,,LOJXVYLBLFSBBB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.711,275-605-8,71550-28-2,"Sodium hydrogen 7,7'-(carbonyldiimino)bis(4-hydroxynaphthalene-2-sulphonate)",hydrogen sodium 4-hydroxy-7-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}naphthalene-2-sulfonate,[Na+].Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-],[Na+].Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-],"InChI=1/C21H16N2O9S2.Na/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32;/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32);/q;+1/p-2",C21H16N2O9S2.Na,,,,,,GTBJUKYCAIOSRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.068.719,275-614-7,71550-63-5,3-(dichloromethylsilyl)propyl acrylate,3-[dichloro(methyl)silyl]propyl acrylate,C[Si](Cl)(Cl)CCCOC(=O)C=C,C[Si](Cl)(Cl)CCCOC(=O)C=C,"InChI=1/C7H12Cl2O2Si/c1-3-7(10)11-5-4-6-12(2,8)9/h3H,1,4-6H2,2H3",C7H12Cl2O2Si,,,,,,GBAQKTTVWCCNHH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.723,275-618-9,71556-70-2,Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one,1-methyl-3-(3-oxocyclohex-1-en-1-yl)azepan-2-one,CN1CCCCC(C2=CC(=O)CCC2)C1=O,CN1CCCCC(C2=CC(=O)CCC2)C1=O,"InChI=1/C13H19NO2/c1-14-8-3-2-7-12(13(14)16)10-5-4-6-11(15)9-10/h9,12H,2-8H2,1H3",C13H19NO2,,,,,,XJZQHHIPUDRJGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.727,275-623-6,71556-77-9,3-ethylhexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one,3-ethyl-1-methyl-3-(3-oxocyclohex-1-en-1-yl)azepan-2-one,CCC1(CCCCN(C)C1=O)C2=CC(=O)CCC2,CCC1(CCCCN(C)C1=O)C2=CC(=O)CCC2,"InChI=1/C15H23NO2/c1-3-15(12-7-6-8-13(17)11-12)9-4-5-10-16(2)14(15)18/h11H,3-10H2,1-2H3",C15H23NO2,,,,,,PHWHMJKWJICNLX-UHFFFAOYSA-N,,,,,,,,,,,
100.064.428,270-893-1,68480-16-0,"3,5-dimethylcyclohexanemethanol","(3,5-dimethylcyclohexyl)methanol",CC1CC(C)CC(CO)C1,CC1CC(C)CC(CO)C1,"InChI=1/C9H18O/c1-7-3-8(2)5-9(4-7)6-10/h7-10H,3-6H2,1-2H3",C9H18O,,,,,,GEVHTUNKMMCORO-UHFFFAOYSA-N,,,,,,,,,,,
100.064.434,270-899-4,68480-22-8,m-isopropylphenethyl alcohol,2-(3-isopropylphenyl)ethanol,CC(C)c1cccc(CCO)c1,CC(C)c1cccc(CCO)c1,"InChI=1/C11H16O/c1-9(2)11-5-3-4-10(8-11)6-7-12/h3-5,8-9,12H,6-7H2,1-2H3",C11H16O,,,,,,ZNRBQJLZGSDXDM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.438,270-903-4,68480-26-2,Tridec-2-en-1-yl acetate,tridec-2-en-1-yl acetate,CC(=O)OCC=CCCCCCCCCCC,CC(=O)OCC=CCCCCCCCCCC,"InChI=1/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h12-13H,3-11,14H2,1-2H3",C15H28O2,,,,,,UEGGJCHDRZTQMF-UHFFFAOYSA-N,,,,,,,,,,,
100.064.439,270-905-5,68480-27-3,Undec-2-enyl acetate,undec-2-en-1-yl acetate,CC(=O)OCC=CCCCCCCCC,CC(=O)OCC=CCCCCCCCC,"InChI=1/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h10-11H,3-9,12H2,1-2H3",C13H24O2,,,,,,WITKTXDMHHYCJB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.442,270-908-1,68480-30-8,2-octyl-2H-isothiazol-3-one hydrochloride,2-octylisothiazol-3(2H)-one hydrochloride,Cl.CCCCCCCCN1SC=CC1=O,Cl.CCCCCCCCN1SC=CC1=O,"InChI=1/C11H19NOS.ClH/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;/h8,10H,2-7,9H2,1H3;1H",C11H19NOS.ClH,,,,,,DPGJMCSIMCJAOO-UHFFFAOYSA-N,,,,,,,,,,,
100.064.448,270-914-4,68484-35-5,"4-[[1,3-dihydro-6-methyl-4-benzylfuro[3,4-c]pyridin-7-yl]oxy]-N-(isopropyl)butylamine dihydrochloride","4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-isopropylbutan-1-amine dihydrochloride",Cl.Cl.CC(C)NCCCCOc1c(C)nc(Cc2ccccc2)c3COCc13,Cl.Cl.CC(C)NCCCCOc1c(C)nc(Cc2ccccc2)c3COCc13,"InChI=1/C22H30N2O2.2ClH/c1-16(2)23-11-7-8-12-26-22-17(3)24-21(19-14-25-15-20(19)22)13-18-9-5-4-6-10-18;;/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3;2*1H",C22H30N2O2.2ClH,,,,,,MKTACNXFWOOJBX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.688,299-803-9,93904-64-4,3-chloro-4-hydroxy-5-(isopropyl)benzaldehyde,3-chloro-4-hydroxy-5-isopropylbenzaldehyde,CC(C)c1cc(C=O)cc(Cl)c1O,CC(C)c1cc(C=O)cc(Cl)c1O,"InChI=1/C10H11ClO2/c1-6(2)8-3-7(5-12)4-9(11)10(8)13/h3-6,13H,1-2H3",C10H11ClO2,,,,,,MJPDRZNCPYMJSA-UHFFFAOYSA-N,,,,,,,,,,,
100.090.689,299-804-4,93904-65-5,"7-chloro-1,1-dimethylindan-4-ol","7-chloro-1,1-dimethylindan-4-ol",CC1(C)CCc2c(O)ccc(Cl)c12,CC1(C)CCc2c(O)ccc(Cl)c12,"InChI=1/C11H13ClO/c1-11(2)6-5-7-9(13)4-3-8(12)10(7)11/h3-4,13H,5-6H2,1-2H3",C11H13ClO,,,,,,KZOVKESZCFEXNY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.695,299-811-2,93904-75-7,4-nonyl hydrogen 2-octadecenylsuccinate,2-[2-(nonyloxy)-2-oxoethyl]icos-4-enoate,[O-]C(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCC,[O-]C(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCC,"InChI=1/C31H58O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-29(31(33)34)28-30(32)35-27-25-23-21-10-8-6-4-2/h22,24,29H,3-21,23,25-28H2,1-2H3,(H,33,34)/p-1",C31H58O4,,,,,,USNYKZJKNVUDFC-UHFFFAOYSA-M,,,,,,,,,,,
100.090.696,299-812-8,93904-77-9,4-(2-phenoxyethyl) hydrogen 2-octadecenylsuccinate,2-[2-oxo-2-(2-phenoxyethoxy)ethyl]icos-4-enoate,[O-]C(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OCCOc1ccccc1,[O-]C(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OCCOc1ccccc1,"InChI=1/C30H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-27(30(32)33)26-29(31)35-25-24-34-28-22-19-17-20-23-28/h16-20,22-23,27H,2-15,21,24-26H2,1H3,(H,32,33)/p-1",C30H48O5,,,,,,ZGESUOVNOUSXPE-UHFFFAOYSA-M,,,,,,,,,,,
100.090.705,299-822-2,93904-88-2,"1-(2-aminoethyl)-2-(dimethylheptyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium chloride","1-(2-aminoethyl)-2-(1,1-dimethylheptyl)-3-(2-hydroxyethyl)imidazolidin-1-ium chloride",[Cl-].CCCCCCC(C)(C)C1N(CCO)CC[NH+]1CCN,[Cl-].CCCCCCC(C)(C)C1N(CCO)CC[NH+]1CCN,"InChI=1/C16H35N3O.ClH/c1-4-5-6-7-8-16(2,3)15-18(10-9-17)11-12-19(15)13-14-20;/h15,20H,4-14,17H2,1-3H3;1H",C16H34N3O.Cl,,,,,,LPNNGMJEMGWTLS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.900,301-136-6,93981-50-1,"Ethyl 2,3,6-trimethylcyclohexyl carbonate","ethyl 2,3,6-trimethylcyclohexyl carbonate",CCOC(=O)OC1C(C)CCC(C)C1C,CCOC(=O)OC1C(C)CCC(C)C1C,"InChI=1/C12H22O3/c1-5-14-12(13)15-11-9(3)7-6-8(2)10(11)4/h8-11H,5-7H2,1-4H3",C12H22O3,,,,,,LMEAWIUATHINAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.902,301-138-7,93981-52-3,"[2,2-bis(undecyloxy)ethyl]benzene","[2,2-bis(undecyloxy)ethyl]benzene",CCCCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCCCC,CCCCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCCCC,"InChI=1/C30H54O2/c1-3-5-7-9-11-13-15-17-22-26-31-30(28-29-24-20-19-21-25-29)32-27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,30H,3-18,22-23,26-28H2,1-2H3",C30H54O2,,,,,,FFSLFIYMXFVLQN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.905,301-141-3,93981-55-6,"(Z)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate","3,7-dimethylocta-2,6-dien-1-yl 2-methylbut-2-enoate",C\\C=C(/C)\\C(=O)OC\\C=C(\\C)/CCC=C(C)C,C\C=C(/C)\C(=O)OC\C=C(\C)/CCC=C(C)C,"InChI=1/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3",C15H24O2,,,,,,OGHBUHJLMHQMHS-FVJRQPFYSA-N,,,,,,,,,,,
100.091.910,301-147-6,93981-61-4,"3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butyraldehyde","3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal",CC(CC=O)CC1C(=CCCC1(C)C)C,CC(CC=O)CC1C(=CCCC1(C)C)C,"InChI=1/C14H24O/c1-11(7-9-15)10-13-12(2)6-5-8-14(13,3)4/h6,9,11,13H,5,7-8,10H2,1-4H3",C14H24O,,,,,,UHIQPLDNAUEIMT-UHFFFAOYSA-N,,,,,,,,,,,
100.091.913,301-150-2,93981-64-7,3-hydroxybutyl lactate,3-hydroxybutyl 2-hydroxypropanoate,CC(O)CCOC(=O)C(C)O,CC(O)CCOC(=O)C(C)O,"InChI=1/C7H14O4/c1-5(8)3-4-11-7(10)6(2)9/h5-6,8-9H,3-4H2,1-2H3",C7H14O4,,,,,,WBEAUDLYVFLJBT-UHFFFAOYSA-N,,,,,,,,,,,
100.091.924,301-162-8,93981-75-0,"2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl acetoacetate","2-(ethyl{4-[(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl}amino)ethyl 3-oxobutanoate",CC(=O)CC(=O)OCCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,CC(=O)CC(=O)OCCN(CC)c1ccc(cc1)N=Nc2snc3ccc(cc23)[N+]([O-])=O,"InChI=1/C21H21N5O5S/c1-3-25(10-11-31-20(28)12-14(2)27)16-6-4-15(5-7-16)22-23-21-18-13-17(26(29)30)8-9-19(18)24-32-21/h4-9,13H,3,10-12H2,1-2H3",C21H21N5O5S,,,,,,BTDZVOVJIMUWLT-UHFFFAOYSA-N,,,,,,,,,,,
100.091.925,301-163-3,93981-76-1,"5,7-dichloro-2-(5-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one","5,5',7-trichloro-2,2'-biindole-3,3'(1H,1'H)-dione",O=C3c4cc(Cl)cc(Cl)c4NC3=C2Nc1ccc(Cl)cc1C2=O,O=C3c4cc(Cl)cc(Cl)c4NC3=C2Nc1ccc(Cl)cc1C2=O,"InChI=1/C16H7Cl3N2O2/c17-6-1-2-11-8(3-6)15(22)13(20-11)14-16(23)9-4-7(18)5-10(19)12(9)21-14/h1-5,20-21H",C16H7Cl3N2O2,,,,,,AGLUIPTUDICXMS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.931,301-170-1,93981-82-9,4-(allyloxy)-m-xylene,"1-(allyloxy)-2,4-dimethylbenzene",Cc1ccc(OCC=C)c(C)c1,Cc1ccc(OCC=C)c(C)c1,"InChI=1/C11H14O/c1-4-7-12-11-6-5-9(2)8-10(11)3/h4-6,8H,1,7H2,2-3H3",C11H14O,,,,,,ZJSJAHBINHESJA-UHFFFAOYSA-N,,,,,,,,,,,
100.088.788,297-713-4,93686-61-4,"5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate","5-chloro-2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium acetate",CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1.CC(=O)[O-],CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1.CC(=O)[O-],"InChI=1/C23H25ClN3.C2H4O2/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;1-2(3)4/h6-13,16H,5,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C23H25ClN3.C2H3O2,,,,,,FPHRRWFKFIRMTG-UHFFFAOYSA-M,,,,,,,,,,,
100.092.938,302-278-1,94107-44-5,Undecyl cyclohexanecarboxylate,undecyl cyclohexanecarboxylate,CCCCCCCCCCCOC(=O)C1CCCCC1,CCCCCCCCCCCOC(=O)C1CCCCC1,"InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h17H,2-16H2,1H3",C18H34O2,,,,,,BTFNOAHOLGBKRX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.939,302-279-7,94107-45-6,Dodecyl cyclohexanecarboxylate,dodecyl cyclohexanecarboxylate,CCCCCCCCCCCCOC(=O)C1CCCCC1,CCCCCCCCCCCCOC(=O)C1CCCCC1,"InChI=1/C19H36O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h18H,2-17H2,1H3",C19H36O2,,,,,,VKXPLQQDMIORSG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.082,298-037-2,93777-09-4,tert-butyl 1-methyl-1-(3-tolyl)ethyl peroxide,tert-butyl 1-methyl-1-(3-methylphenyl)ethyl peroxide,Cc1cccc(c1)C(C)(C)OOC(C)(C)C,Cc1cccc(c1)C(C)(C)OOC(C)(C)C,"InChI=1/C14H22O2/c1-11-8-7-9-12(10-11)14(5,6)16-15-13(2,3)4/h7-10H,1-6H3",C14H22O2,,,,,,CHFRYGOPMRHWMB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.095,298-051-9,93777-22-1,"Bis[2,4,6-tris(1-phenylethyl)phenyl] hydrogen phosphate","bis[2,4,6-tris(1-phenylethyl)phenyl] hydrogen phosphate",CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(OP(=O)(O)Oc4c(cc(cc4C(C)c5ccccc5)C(C)c6ccccc6)C(C)c7ccccc7)c(c2)C(C)c8ccccc8,CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(OP(=O)(O)Oc4c(cc(cc4C(C)c5ccccc5)C(C)c6ccccc6)C(C)c7ccccc7)c(c2)C(C)c8ccccc8,"InChI=1/C60H59O4P/c1-41(47-25-13-7-14-26-47)53-37-55(43(3)49-29-17-9-18-30-49)59(56(38-53)44(4)50-31-19-10-20-32-50)63-65(61,62)64-60-57(45(5)51-33-21-11-22-34-51)39-54(42(2)48-27-15-8-16-28-48)40-58(60)46(6)52-35-23-12-24-36-52/h7-46H,1-6H3,(H,61,62)",C60H59O4P,,,,,,ZAAULMRZYFHALK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.099,298-056-6,93777-26-5,5-bromo-2-fluorobenzaldehyde,5-bromo-2-fluorobenzaldehyde,Fc1ccc(Br)cc1C=O,Fc1ccc(Br)cc1C=O,InChI=1/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,C7H4BrFO,,,,,,MMFGGDVQLQQQRX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.100,298-057-1,93777-27-6,"[4-[bis[3-(carboxymethyl)-4-ethoxyphenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium","N-(4-{bis[3-(carboxymethyl)-4-ethoxyphenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium",CCOc1ccc(cc1CC(=O)O)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(OCC)c(CC(=O)O)c3,CCOc1ccc(cc1CC(=O)O)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(OCC)c(CC(=O)O)c3,"InChI=1/C29H31NO6/c1-5-35-25-13-9-20(15-22(25)17-27(31)32)29(19-7-11-24(12-8-19)30(3)4)21-10-14-26(36-6-2)23(16-21)18-28(33)34/h7-16H,5-6,17-18H2,1-4H3,(H-,31,32,33,34)/p+1",C29H31NO6,,,,,,XNUJHMNNQFNNNH-UHFFFAOYSA-O,,,,,,,,,,,
100.089.105,298-062-9,93777-32-3,"6-(isopropyl)-a,3-dimethylcyclohexene-1-propan-1-al",3-(6-isopropyl-3-methylcyclohex-1-en-1-yl)-2-methylpropanal,CC(C)C1CCC(C)C=C1CC(C)C=O,CC(C)C1CCC(C)C=C1CC(C)C=O,"InChI=1/C14H24O/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h7,9-12,14H,5-6,8H2,1-4H3",C14H24O,,,,,,RFCQTPDKNNALQS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.112,298-070-2,93777-39-0,"Decahydro-4-methylspiro[furan-2(5H),5'-[4,7]methano[5H]indene]-5-one","4-methyldecahydro-5H-spiro[furan-2,5'-[4,7]methanoinden]-5-one",CC1CC2(CC3CC2C4CCCC34)OC1=O,CC1CC2(CC3CC2C4CCCC34)OC1=O,"InChI=1/C14H20O2/c1-8-6-14(16-13(8)15)7-9-5-12(14)11-4-2-3-10(9)11/h8-12H,2-7H2,1H3",C14H20O2,,,,,,ICZMJALAXFOIJH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.115,298-073-9,93777-42-5,"a,a,4,7,7-pentamethylbicyclo[4.1.0]hept-4-ene-3-methanol","2-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)propan-2-ol",CC1=CC2C(CC1C(C)(C)O)C2(C)C,CC1=CC2C(CC1C(C)(C)O)C2(C)C,"InChI=1/C13H22O/c1-8-6-10-11(12(10,2)3)7-9(8)13(4,5)14/h6,9-11,14H,7H2,1-5H3",C13H22O,,,,,,KRUIQQGWBAELRN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.119,298-078-6,93777-46-9,Decyl 2-ethylhexanoate,decyl 2-ethylhexanoate,CCCCCCCCCCOC(=O)C(CC)CCCC,CCCCCCCCCCOC(=O)C(CC)CCCC,"InChI=1/C18H36O2/c1-4-7-9-10-11-12-13-14-16-20-18(19)17(6-3)15-8-5-2/h17H,4-16H2,1-3H3",C18H36O2,,,,,,NPTQTLMUAAVGNU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.308,299-386-3,93859-48-4,"2-[(4-amino-3,5-diisopropylphenyl)methyl]-4-[(4-aminophenyl)methyl]aniline","4-[2-amino-5-(4-aminobenzyl)benzyl]-2,6-diisopropylaniline",CC(C)c1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)cc(C(C)C)c1N,CC(C)c1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)cc(C(C)C)c1N,"InChI=1/C26H33N3/c1-16(2)23-14-20(15-24(17(3)4)26(23)29)13-21-12-19(7-10-25(21)28)11-18-5-8-22(27)9-6-18/h5-10,12,14-17H,11,13,27-29H2,1-4H3",C26H33N3,,,,,,IHAKWUDOPXWXGU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.311,299-390-5,93859-51-9,"(Z)-N-octadec-9-enylpropane-1,3-diyldiammonium bis(hydroxyacetate)","N-octadec-9-en-1-ylpropane-1,3-diaminium bis(hydroxyacetate)",CCCCCCCC\\C=C/CCCCCCCC[NH2+]CCC[NH3+].OCC(=O)[O-].OCC(=O)[O-],CCCCCCCC\C=C/CCCCCCCC[NH2+]CCC[NH3+].OCC(=O)[O-].OCC(=O)[O-],"InChI=1/C21H44N2.2C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*3-1-2(4)5/h9-10,23H,2-8,11-22H2,1H3;2*3H,1H2,(H,4,5)",C21H44N2.2C2H4O3,,,,,,WHNDJHDROKNHQP-XXAVUKJNSA-N,,,,,,,,,,,
100.090.317,299-396-8,93859-58-6,Methyl (hydroxymethyl)(methoxymethyl)-carbamate,methyl (hydroxymethyl)(methoxymethyl)carbamate,COCN(CO)C(=O)OC,COCN(CO)C(=O)OC,"InChI=1/C5H11NO4/c1-9-4-6(3-7)5(8)10-2/h7H,3-4H2,1-2H3",C5H11NO4,,,,,,QNYFBSABYYASCB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.758,299-880-9,93918-00-4,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-1,1-dimethylhydrazinium sulphate (2:1)","bis(1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-1,1-dimethyldiazanium) sulfate",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O.[O-]S([O-])(=O)=O.C[N+](C)(N)CCN(CC)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O.[O-]S([O-])(=O)=O.C[N+](C)(N)CCN(CC)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O,"InChI=1/2C18H23Cl2N6O2.H2O4S/c2*1-4-24(9-10-26(2,3)21)14-7-5-13(6-8-14)22-23-18-16(19)11-15(25(27)28)12-17(18)20;1-5(2,3)4/h2*5-8,11-12H,4,9-10,21H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C18H23Cl2N6O2.1/2O4S,,,,,,IMAAPUMTKWYKHZ-UHFFFAOYSA-L,,,,,,,,,,,
100.090.762,299-885-6,93918-04-8,"Disodium 4-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo]-2,2'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate","disodium 4-hydroxy-3-({4'-[(4-hydroxyphenyl)diazenyl]-2,2'-dimethylbiphenyl-4-yl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Oc5ccc(N=Nc1cc(C)c(cc1)c4ccc(N=Nc3c(cc2cc(ccc2c3O)S([O-])(=O)=O)S([O-])(=O)=O)cc4C)cc5,[Na+].[Na+].Oc5ccc(N=Nc1cc(C)c(cc1)c4ccc(N=Nc3c(cc2cc(ccc2c3O)S([O-])(=O)=O)S([O-])(=O)=O)cc4C)cc5,"InChI=1/C30H24N4O8S2.2Na/c1-17-13-21(32-31-20-3-7-23(35)8-4-20)5-10-25(17)26-11-6-22(14-18(26)2)33-34-29-28(44(40,41)42)16-19-15-24(43(37,38)39)9-12-27(19)30(29)36;;/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H24N4O8S2.2Na,,,,,,JOUZKHBWNZQVFW-UHFFFAOYSA-L,,,,,,,,,,,
100.090.347,299-429-6,93882-31-6,"Undecenoic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)",undec-2-enoic acid - 2-amino-2-methylpropan-1-ol (1:1),OC(=O)C=CCCCCCCCC.CC(C)(N)CO,OC(=O)C=CCCCCCCCC.CC(C)(N)CO,"InChI=1/C11H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-4(2,5)3-6/h9-10H,2-8H2,1H3,(H,12,13);6H,3,5H2,1-2H3",C11H20O2.C4H11NO,,,,,,DZUXUFAJIJPWDC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.358,299-441-1,93882-46-3,Icosyl icosenoate,icosyl icos-2-enoate,CCCCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCCCCCC,"InChI=1/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36,38H,3-35,37,39H2,1-2H3",C40H78O2,,,,,,ZQQPOGSRTFDKKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.359,299-442-7,93882-47-4,Octadecyl icosenoate,octadecyl icos-2-enoate,CCCCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h34,36H,3-33,35,37H2,1-2H3",C38H74O2,,,,,,PPGOWGAGXXVWTC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.362,299-445-3,93882-52-1,"Dioctadecenyl-4,18-dioxo-5,8,11,14,17-pentaoxahenicosanedioic acid","2,2-dioctadec-1-en-1-yl-4,18-dioxo-5,8,11,14,17-pentaoxahenicosane-1,21-dioic acid",O=C(OCCOCCOCCOCCOC(=O)CCC(O)=O)CC(C=CCCCCCCCCCCCCCCCC)(C=CCCCCCCCCCCCCCCCC)C(O)=O,O=C(OCCOCCOCCOCCOC(=O)CCC(O)=O)CC(C=CCCCCCCCCCCCCCCCC)(C=CCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1/C52H94O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-52(51(57)58,38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-50(56)63-46-44-61-42-40-59-39-41-60-43-45-62-49(55)36-35-48(53)54/h33-34,37-38H,3-32,35-36,39-47H2,1-2H3,(H,53,54)(H,57,58)",C52H94O11,,,,,,UXZUSTPLLLNWGO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.372,299-456-3,93882-71-4,Octyl hydrogen 2-octadecenylsuccinate,3-[(octyloxy)carbonyl]henicos-5-enoate,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCCCCCCCC,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCCCCCCCC,"InChI=1/C30H56O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-28(27-29(31)32)30(33)34-26-24-22-10-8-6-4-2/h21,23,28H,3-20,22,24-27H2,1-2H3,(H,31,32)/p-1",C30H56O4,,,,,,XHNWGWQSISVWHP-UHFFFAOYSA-M,,,,,,,,,,,
100.092.001,301-248-5,93982-59-3,2-(octadecyloxy)pyridine,2-(octadecyloxy)pyridine,CCCCCCCCCCCCCCCCCCOc1ccccn1,CCCCCCCCCCCCCCCCCCOc1ccccn1,"InChI=1/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-23-20-17-18-21-24-23/h17-18,20-21H,2-16,19,22H2,1H3",C23H41NO,,,,,,FDMPERQVQOQUFP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.003,301-250-6,93982-61-7,Ethyl 3-(5-bromo-1H-indol-3-yl)-2-cyanoacrylate,ethyl 3-(5-bromo-1H-indol-3-yl)-2-cyanoacrylate,CCOC(=O)\\C(=C\\c1c[nH]c2ccc(Br)cc12)\\C#N,CCOC(=O)\C(=C\c1c[nH]c2ccc(Br)cc12)\C#N,"InChI=1/C14H11BrN2O2/c1-2-19-14(18)9(7-16)5-10-8-17-13-4-3-11(15)6-12(10)13/h3-6,8,17H,2H2,1H3",C14H11BrN2O2,,,,,,WMWQSIMSDYVHMD-WEVVVXLNSA-N,,,,,,,,,,,
100.092.008,301-255-3,93982-66-2,"Tetrasodium 5,5'-[ethylenebis[(3-sulphonato-4,1-phenylene)-ONN-azoxy]]bis[8-(phenylazo)naphthalene-2-sulphonate]",tetrasodium 8-(phenyldiazenyl)-5-({4-[2-(4-{[4-(phenyldiazenyl)-6-sulfonato-1-naphthyl]-NNO-azoxy}-2-sulfonatophenyl)ethyl]-3-sulfonatophenyl}-ONN-azoxy)naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc8c(c1)c(N=Nc2ccccc2)ccc8\\N=[N+](/[O-])c7ccc(CCc3ccc(cc3S([O-])(=O)=O)[N+](/[O-])=N/c6ccc(N=Nc4ccccc4)c5cc(ccc56)S([O-])(=O)=O)c(c7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc8c(c1)c(N=Nc2ccccc2)ccc8\N=[N+](/[O-])c7ccc(CCc3ccc(cc3S([O-])(=O)=O)[N+](/[O-])=N/c6ccc(N=Nc4ccccc4)c5cc(ccc56)S([O-])(=O)=O)c(c7)S([O-])(=O)=O,"InChI=1/C46H34N8O14S4.4Na/c55-53(51-43-23-21-41(49-47-31-7-3-1-4-8-31)39-27-35(69(57,58)59)17-19-37(39)43)33-15-13-29(45(25-33)71(63,64)65)11-12-30-14-16-34(26-46(30)72(66,67)68)54(56)52-44-24-22-42(50-48-32-9-5-2-6-10-32)40-28-36(70(60,61)62)18-20-38(40)44;;;;/h1-10,13-28H,11-12H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C46H32N8O14S4.4Na,,,,,,PCKDGCQWSYMQJI-HMDWDXPFSA-J,,,,,,,,,,,
100.064.455,270-922-8,68497-93-8,"9-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-salicylate","9-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl salicylate",C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)c5ccccc5O,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)c5ccccc5O,"InChI=1/C28H31FO7/c1-25-11-9-17(30)13-16(25)7-8-20-19-10-12-27(35,26(19,2)14-22(32)28(20,25)29)23(33)15-36-24(34)18-5-3-4-6-21(18)31/h3-6,9,11,13,19-20,22,31-32,35H,7-8,10,12,14-15H2,1-2H3",C28H31FO7,,,,,,FCSHKGYSUMKFNH-ZNLJJCQFSA-N,,,,,,,,,,,
100.064.459,270-927-5,68505-92-0,N-butyl-2-chloro-5-nitrobenzamide,N-butyl-2-chloro-5-nitrobenzamide,CCCCNC(=O)c1cc(ccc1Cl)[N+](=O)[O-],CCCCNC(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C11H13ClN2O3/c1-2-3-6-13-11(15)9-7-8(14(16)17)4-5-10(9)12/h4-5,7H,2-3,6H2,1H3,(H,13,15)",C11H13ClN2O3,,,,,,YDKDPVDEANOMEE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.462,270-930-1,68506-98-9,"2'-[(2-chlorophenyl)amino]-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-[(2-chlorophenyl)amino]-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4Cl)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4Cl)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C30H25ClN2O3/c1-3-33(4-2)20-14-15-23-28(18-20)35-27-16-13-19(32-26-12-8-7-11-25(26)31)17-24(27)30(23)22-10-6-5-9-21(22)29(34)36-30/h5-18,32H,3-4H2,1-2H3",C30H25ClN2O3,,,,,,LRQZDCOOTPXRKM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.346,274-104-1,69756-53-2,Halofantrine,"3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propan-1-ol",CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3",C26H30Cl2F3NO,,,,,,FOHHNHSLJDZUGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.347,274-105-7,69762-08-9,"Sodium 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonate","sodium 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccccc2)c3N,[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccccc2)c3N,"InChI=1/C16H13Cl2N5O3S.Na/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8H,19H2,1H3,(H,24,25,26);/q;+1/p-1",C16H13Cl2N5O3S.Na,,,,,,OBXIFFBDSGAAGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.067.350,274-108-3,69770-20-3,m-(p-chlorophenoxy)benzaldehyde,3-(4-chlorophenoxy)benzaldehyde,Clc1ccc(Oc2cccc(C=O)c2)cc1,Clc1ccc(Oc2cccc(C=O)c2)cc1,InChI=1/C13H9ClO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H,C13H9ClO2,,,,,,MYQFRCYBOOWGJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.355,274-114-6,69777-63-5,p-(2-methylbutyl)phenyl (S)-4-(decyloxy)benzoate,4-(2-methylbutyl)phenyl 4-(decyloxy)benzoate,CCCCCCCCCCOc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2,CCCCCCCCCCOc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2,"InChI=1/C28H40O3/c1-4-6-7-8-9-10-11-12-21-30-26-19-15-25(16-20-26)28(29)31-27-17-13-24(14-18-27)22-23(3)5-2/h13-20,23H,4-12,21-22H2,1-3H3",C28H40O3,,,,,,AXTSICLPKIDIMY-QHCPKHFHSA-N,,,,,,,,,,,
100.067.357,274-116-7,69777-71-5,"(S)-4-(2-methylbutyl)phenyl 4'-heptyl[1,1'-biphenyl]-4-carboxylate",4-(2-methylbutyl)phenyl 4'-heptylbiphenyl-4-carboxylate,CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(C[C@@H](C)CC)cc3,CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Oc3ccc(C[C@@H](C)CC)cc3,"InChI=1/C31H38O2/c1-4-6-7-8-9-10-25-11-15-27(16-12-25)28-17-19-29(20-18-28)31(32)33-30-21-13-26(14-22-30)23-24(3)5-2/h11-22,24H,4-10,23H2,1-3H3",C31H38O2,,,,,,OFPKTMNHQRPVJW-DEOSSOPVSA-N,,,,,,,,,,,
100.067.361,274-120-9,69796-46-9,3-(2-nitrovinyl)-5-(phenylmethoxy)-1H-indole,5-(benzyloxy)-3-(2-nitrovinyl)-1H-indole,[O-][N+](=O)\\C=C\\c1c[nH]c2ccc(OCc3ccccc3)cc12,[O-][N+](=O)\C=C\c1c[nH]c2ccc(OCc3ccccc3)cc12,"InChI=1/C17H14N2O3/c20-19(21)9-8-14-11-18-17-7-6-15(10-16(14)17)22-12-13-4-2-1-3-5-13/h1-11,18H,12H2",C17H14N2O3,,,,,,VHFAFPNKRNJZPV-CMDGGOBGSA-N,,,,,,,,,,,
100.069.878,276-889-6,72828-82-1,"Sodium 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-{[4-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CN(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1)S(=O)(=O)c5ccc(C)cc5,[Na+].CN(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1)S(=O)(=O)c5ccc(C)cc5,"InChI=1/C29H25N3O7S2.Na/c1-17-7-13-20(14-8-17)40(35,36)32(2)16-18-9-11-19(12-10-18)31-23-15-24(41(37,38)39)27(30)26-25(23)28(33)21-5-3-4-6-22(21)29(26)34;/h3-15,31H,16,30H2,1-2H3,(H,37,38,39);/q;+1/p-1",C29H25N3O7S2.Na,,,,,,JOXJJQNGIBRWJT-UHFFFAOYSA-M,,,,,,,,,,,
100.069.880,276-891-7,72828-84-3,"Disodium 4,4'-[carbonylbis[imino[2-[(2-hydroxyacetyl)amino]-4,1-phenylene]azo]]bis[toluene-2-sulphonate]",disodium 5-({2-(glycoloylamino)-4-[({3-(glycoloylamino)-4-[(4-methyl-3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)-2-methylbenzenesulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1C)N=Nc2ccc(cc2NC(=O)CO)NC(=O)Nc4ccc(N=Nc3ccc(C)c(c3)S([O-])(=O)=O)c(c4)NC(=O)CO,[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1C)N=Nc2ccc(cc2NC(=O)CO)NC(=O)Nc4ccc(N=Nc3ccc(C)c(c3)S([O-])(=O)=O)c(c4)NC(=O)CO,"InChI=1/C31H30N8O11S2.2Na/c1-17-3-5-21(13-27(17)51(45,46)47)36-38-23-9-7-19(11-25(23)34-29(42)15-40)32-31(44)33-20-8-10-24(26(12-20)35-30(43)16-41)39-37-22-6-4-18(2)28(14-22)52(48,49)50;;/h3-14,40-41H,15-16H2,1-2H3,(H,34,42)(H,35,43)(H2,32,33,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C31H30N8O11S2.2Na,,,,,,WAVGRKLQEQPBFA-UHFFFAOYSA-L,,,,,,,,,,,
100.068.740,275-637-2,71566-49-9,2-ethylhexyl isononanoate,2-ethylhexyl 7-methyloctanoate,CCCCC(CC)COC(=O)CCCCCC(C)C,CCCCC(CC)COC(=O)CCCCCC(C)C,"InChI=1/C17H34O2/c1-5-7-12-16(6-2)14-19-17(18)13-10-8-9-11-15(3)4/h15-16H,5-14H2,1-4H3",C17H34O2,,,,,,NAGVKZOTMXGCCA-UHFFFAOYSA-N,,,,,,,,,,,
100.088.804,297-731-2,93762-17-5,"N,N,2,2,4-pentamethylvaleramide","N,N,2,2,4-pentamethylpentanamide",CC(C)CC(C)(C)C(=O)N(C)C,CC(C)CC(C)(C)C(=O)N(C)C,"InChI=1/C10H21NO/c1-8(2)7-10(3,4)9(12)11(5)6/h8H,7H2,1-6H3",C10H21NO,,,,,,DDOZFENEPXDBJR-UHFFFAOYSA-N,,,,,,,,,,,
100.088.809,297-737-5,93762-23-3,"Salicylic acid, compound with 1-butyl-1H-imidazole (1:1)",2-hydroxybenzoic acid - 1-butyl-1H-imidazole (1:1),CCCCn1ccnc1.OC(=O)c2ccccc2O,CCCCn1ccnc1.OC(=O)c2ccccc2O,"InChI=1/C7H12N2.C7H6O3/c1-2-3-5-9-6-4-8-7-9;8-6-4-2-1-3-5(6)7(9)10/h4,6-7H,2-3,5H2,1H3;1-4,8H,(H,9,10)",C7H12N2.C7H6O3,,,,,,JLOMXOWSSCTDKF-UHFFFAOYSA-N,,,,,,,,,,,
100.088.811,297-739-6,93762-25-5,5-methyl-2-(1-methylethyl)cyclohexanethione,2-isopropyl-5-methylcyclohexanethione,CC(C)C1CCC(C)CC1=S,CC(C)C1CCC(C)CC1=S,"InChI=1/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",C10H18S,,,,,,MUUULGAGZBWUDA-UHFFFAOYSA-N,,,,,,,,,,,
100.088.822,297-751-1,93762-38-0,[[1-(chloromethyl)-2-(octyloxy)ethoxy]methyl]oxirane,2-({2-chloro-1-[(octyloxy)methyl]ethoxy}methyl)oxirane,CCCCCCCCOCC(CCl)OCC1CO1,CCCCCCCCOCC(CCl)OCC1CO1,"InChI=1/C14H27ClO3/c1-2-3-4-5-6-7-8-16-10-13(9-15)17-11-14-12-18-14/h13-14H,2-12H2,1H3",C14H27ClO3,,,,,,QJCYYVDJEYLVQG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.717,299-835-3,93905-00-1,"2-(dimethylheptyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride","2-(1,1-dimethylheptyl)-1,3-bis(2-hydroxyethyl)imidazolidin-1-ium chloride",[Cl-].CCCCCCC(C)(C)C1N(CCO)CC[NH+]1CCO,[Cl-].CCCCCCC(C)(C)C1N(CCO)CC[NH+]1CCO,"InChI=1/C16H34N2O2.ClH/c1-4-5-6-7-8-16(2,3)15-17(11-13-19)9-10-18(15)12-14-20;/h15,19-20H,4-14H2,1-3H3;1H",C16H33N2O2.Cl,,,,,,HGGYFXQXWDUDBM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.725,299-844-2,93917-66-9,"4-methylene-2-propyl-1,3-dioxane","4-methylene-2-propyl-1,3-dioxane",CCCC1OCCC(=C)O1,CCCC1OCCC(=C)O1,"InChI=1/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h8H,2-6H2,1H3",C8H14O2,,,,,,FAGLUDRGGWLUKA-UHFFFAOYSA-N,,,,,,,,,,,
100.090.727,299-846-3,93917-68-1,Ethyl (2-methylphenoxy)acetate,ethyl (2-methylphenoxy)acetate,CCOC(=O)COc1ccccc1C,CCOC(=O)COc1ccccc1C,"InChI=1/C11H14O3/c1-3-13-11(12)8-14-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3",C11H14O3,,,,,,NHFQSFIBSJPLIW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.739,299-859-4,93917-80-7,2-ethylhexyl methylheptanoate,2-ethylhexyl 2-methylheptanoate,CCCCCC(C)C(=O)OCC(CC)CCCC,CCCCCC(C)C(=O)OCC(CC)CCCC,"InChI=1/C16H32O2/c1-5-8-10-11-14(4)16(17)18-13-15(7-3)12-9-6-2/h14-15H,5-13H2,1-4H3",C16H32O2,,,,,,YRWASMLYHBIQJF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.744,299-865-7,93917-85-2,"1-(2-aminoethyl)-2-heptadecyl-4,5-dihydro-1-methyl-1H-imidazolium chloride","1-(2-aminoethyl)-2-heptadecyl-1-methyl-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN,[Cl-].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN,"InChI=1/C23H48N3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-20-22-26(23,2)21-19-24;/h3-22,24H2,1-2H3;1H/q+1;/p-1",C23H48N3.Cl,,,,,,AMMWSRMLVCYQPJ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.747,299-868-3,93917-88-5,Allyldimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,"N,N-dimethyl-N-[3-(stearoylamino)propyl]prop-2-en-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC=C,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC=C,"InChI=1/C26H52N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(29)27-23-21-25-28(3,4)24-6-2;/h6H,2,5,7-25H2,1,3-4H3;1H",C26H53N2O.Cl,,,,,,XGANCXQVIGHLLC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.748,299-869-9,93917-89-6,Allyldimethyl[3-[(1-oxohexadecyl)amino]propyl]ammonium chloride,"N,N-dimethyl-N-[3-(palmitoylamino)propyl]prop-2-en-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC=C,[Cl-].CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC=C,"InChI=1/C24H48N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24(27)25-21-19-23-26(3,4)22-6-2;/h6H,2,5,7-23H2,1,3-4H3;1H",C24H49N2O.Cl,,,,,,BTOTWQWWTSPKAK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.946,301-186-9,93981-98-7,"Decanoic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)",decanoic acid - 2-amino-2-methylpropan-1-ol (1:1),CCCCCCCCCC(=O)O.CC(C)(N)CO,CCCCCCCCCC(=O)O.CC(C)(N)CO,"InChI=1/C10H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-4(2,5)3-6/h2-9H2,1H3,(H,11,12);6H,3,5H2,1-2H3",C10H20O2.C4H11NO,,,,,,DUFCRJWDEQYXHU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.949,301-190-0,93982-01-5,Octadecyl 2-hexyldecanoate,octadecyl 2-hexyldecanoate,CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC,"InChI=1/C34H68O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-24-26-29-32-36-34(35)33(30-27-12-9-6-3)31-28-25-14-11-8-5-2/h33H,4-32H2,1-3H3",C34H68O2,,,,,,SHINCAFTGSFLIN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.959,301-201-9,93982-11-7,(nonylphenyl) hydrogen succinate,4-(2-nonylphenoxy)-4-oxobutanoic acid,CCCCCCCCCc1ccccc1OC(=O)CCC(=O)O,CCCCCCCCCc1ccccc1OC(=O)CCC(=O)O,"InChI=1/C19H28O4/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)23-19(22)15-14-18(20)21/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,21)",C19H28O4,,,,,,UESQDUJDKXPQAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.326,299-406-0,93882-03-2,Sodium 1-methyl 2-[[4-hydroxy-3-[[[2-(methyloctadecylamino)-5-sulphonatophenyl]amino]carbonyl]-1-naphthyl]azo]-5-[1-(4-hydroxyphenyl)-1-methylethyl]benzoate,sodium 3-{[1-hydroxy-4-({4-[1-(4-hydroxyphenyl)-1-methylethyl]-2-(methoxycarbonyl)phenyl}diazenyl)-2-naphthoyl]amino}-4-[methyl(octadecyl)amino]benzenesulfonate,[Na+].CC(C)(c1ccc(O)cc1)c5cc(C(=O)OC)c(N=Nc4cc(C(=O)Nc2cc(ccc2N(C)CCCCCCCCCCCCCCCCCC)S([O-])(=O)=O)c(O)c3ccccc34)cc5,[Na+].CC(C)(c1ccc(O)cc1)c5cc(C(=O)OC)c(N=Nc4cc(C(=O)Nc2cc(ccc2N(C)CCCCCCCCCCCCCCCCCC)S([O-])(=O)=O)c(O)c3ccccc34)cc5,"InChI=1/C53H68N4O8S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-57(4)49-33-31-41(66(62,63)64)36-48(49)54-51(60)45-37-47(42-24-21-22-25-43(42)50(45)59)56-55-46-32-28-39(35-44(46)52(61)65-5)53(2,3)38-26-29-40(58)30-27-38;/h21-22,24-33,35-37,58-59H,6-20,23,34H2,1-5H3,(H,54,60)(H,62,63,64);/q;+1/p-1",C53H68N4O8S.Na,,,,,,DWPIKIHHVGGUFL-UHFFFAOYSA-M,,,,,,,,,,,
100.090.327,299-407-6,93882-04-3,"3,3',3'',3'''-[p-phenylenebis[methylenenitrilobis(ethyleneoxy)]]tetrakis(propiononitrile)","3,3',3'',3'''-{1,4-phenylenebis[methylenenitrilobis(ethane-2,1-diyloxy)]}tetrapropanenitrile",N#CCCOCCN(CCOCCC#N)Cc1ccc(CN(CCOCCC#N)CCOCCC#N)cc1,N#CCCOCCN(CCOCCC#N)Cc1ccc(CN(CCOCCC#N)CCOCCC#N)cc1,"InChI=1/C28H40N6O4/c29-9-1-17-35-21-13-33(14-22-36-18-2-10-30)25-27-5-7-28(8-6-27)26-34(15-23-37-19-3-11-31)16-24-38-20-4-12-32/h5-8H,1-4,13-26H2",C28H40N6O4,,,,,,LKBXHMJSZBOITD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.341,299-422-8,93882-25-8,"Undecenoic acid, compound with 1,1'-iminodipropan-2-ol (1:1)","undec-2-enoic acid - 1,1'-iminodipropan-2-ol (1:1)",CC(O)CNCC(C)O.CCCCCCCCC=CC(O)=O,CC(O)CNCC(C)O.CCCCCCCCC=CC(O)=O,"InChI=1/C11H20O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-5(8)3-7-4-6(2)9/h9-10H,2-8H2,1H3,(H,12,13);5-9H,3-4H2,1-2H3",C11H20O2.C6H15NO2,,,,,,HHBYTADNNJWYNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.342,299-423-3,93882-26-9,"Undecenoic acid, compound with 2,2'-iminodiethanol (1:1)","undec-2-enoic acid - 2,2'-iminodiethanol (1:1)",O=C(O)C=CCCCCCCCC.OCCNCCO,O=C(O)C=CCCCCCCCC.OCCNCCO,"InChI=1/C11H20O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11(12)13;6-3-1-5-2-4-7/h9-10H,2-8H2,1H3,(H,12,13);5-7H,1-4H2",C11H20O2.C4H11NO2,,,,,,VNXXAZGRKNBGJN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.717,276-712-2,72544-16-2,1-isobutyl-4-piperidone,1-isobutylpiperidin-4-one,CC(C)CN1CCC(=O)CC1,CC(C)CN1CCC(=O)CC1,"InChI=1/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3",C9H17NO,,,,,,KMTASGXMTBUSSP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.722,276-718-5,72575-86-1,Isopropyl 2-phenoxyisobutyrate,isopropyl 2-methyl-2-phenoxypropanoate,CC(C)OC(=O)C(C)(C)Oc1ccccc1,CC(C)OC(=O)C(C)(C)Oc1ccccc1,"InChI=1/C13H18O3/c1-10(2)15-12(14)13(3,4)16-11-8-6-5-7-9-11/h5-10H,1-4H3",C13H18O3,,,,,,CRHGSXZRDVJBLL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.734,276-731-6,72614-75-6,"4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoic acid","4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoic acid",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1ccc(cc1)C(O)=O)=C(\\O)N2C,O=C2C(/C#N)=C(/C)\C(\N=Nc1ccc(cc1)C(O)=O)=C(\O)N2C,"InChI=1/C15H12N4O4/c1-8-11(7-16)13(20)19(2)14(21)12(8)18-17-10-5-3-9(4-6-10)15(22)23/h3-6,21H,1-2H3,(H,22,23)",C15H12N4O4,,,,,,HXYFIRLXYOQUDP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.735,276-732-1,72614-76-7,"2-ethoxy-2-oxoethyl 4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoate","2-ethoxy-2-oxoethyl 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoate",O=C2C(/C#N)=C(/C)\\C(\\N=Nc1ccc(cc1)C(=O)OCC(=O)OCC)=C(\\O)N2C,O=C2C(/C#N)=C(/C)\C(\N=Nc1ccc(cc1)C(=O)OCC(=O)OCC)=C(\O)N2C,"InChI=1/C19H18N4O6/c1-4-28-15(24)10-29-19(27)12-5-7-13(8-6-12)21-22-16-11(2)14(9-20)17(25)23(3)18(16)26/h5-8,26H,4,10H2,1-3H3",C19H18N4O6,,,,,,AAXGXZRAUBPCRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.745,276-743-1,72624-02-3,"Phenol, heptyl derivs.",4-heptylphenol,CCCCCCCc1ccc(O)cc1,CCCCCCCc1ccc(O)cc1,"InChI=1/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14111,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.745,KNDDEFBFJLKPFE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.747,276-745-2,72629-94-8,Pentacosafluorotridecanoic acid,pentacosafluorotridecanoic acid,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)",C13HF25O2,,,,,,LVDGGZAZAYHXEY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.087,268-315-8,68052-22-2,"2,2'-(m-tolylimino)dipropanol","2,2'-[(3-methylphenyl)imino]dipropan-1-ol",CC(CO)N(C(C)CO)c1cccc(C)c1,CC(CO)N(C(C)CO)c1cccc(C)c1,"InChI=1/C13H21NO2/c1-10-5-4-6-13(7-10)14(11(2)8-15)12(3)9-16/h4-7,11-12,15-16H,8-9H2,1-3H3",C13H21NO2,,,,,,JNTBFQGTGSKVPY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.089,268-317-9,68052-35-7,"Octanoic acid, compound with 2-(diethylamino)ethanol (1:1)",octanoic acid - 2-(diethylamino)ethanol (1:1),CCCCCCCC(=O)O.CCN(CC)CCO,CCCCCCCC(=O)O.CCN(CC)CCO,"InChI=1/C8H16O2.C6H15NO/c1-2-3-4-5-6-7-8(9)10;1-3-7(4-2)5-6-8/h2-7H2,1H3,(H,9,10);8H,3-6H2,1-2H3",C8H16O2.C6H15NO,,,,,,SBKDOVGGFMYFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.091,268-320-5,68052-37-9,Dicyclohexylammonium phosphate (3:1),tris(N-cyclohexylcyclohexanaminium) phosphate,[O-]P(=O)([O-])[O-].C1CCC(CC1)[NH2+]C2CCCCC2.C3CCC(CC3)[NH2+]C4CCCCC4.C5CCC(CC5)[NH2+]C6CCCCC6,[O-]P(=O)([O-])[O-].C1CCC(CC1)[NH2+]C2CCCCC2.C3CCC(CC3)[NH2+]C4CCCCC4.C5CCC(CC5)[NH2+]C6CCCCC6,"InChI=1/3C12H23N.H3O4P/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h3*11-13H,1-10H2;(H3,1,2,3,4)",C12H23N.1/3H3O4P,,,,,,SAXQIRRYXYQXCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.947,302-288-6,94107-55-8,4-[2-(5-nitro-1H-imidazole-1-yl)ethyl]morpholine monohydrochloride,4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]morpholine hydrochloride,Cl.[O-][N+](=O)c1cncn1CCN2CCOCC2,Cl.[O-][N+](=O)c1cncn1CCN2CCOCC2,"InChI=1/C9H14N4O3.ClH/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11;/h7-8H,1-6H2;1H",C9H14N4O3.ClH,,,,,,YNZSADJOMNVVST-UHFFFAOYSA-N,,,,,,,,,,,
100.092.949,302-290-7,94107-57-0,N-[2-(o-fluorobenzoyl)-4-nitrophenyl]-p-toluenesulphonamide,N-[2-(2-fluorobenzoyl)-4-nitrophenyl]-4-methylbenzenesulfonamide,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3ccccc3F)[N+](=O)[O-],Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3ccccc3F)[N+](=O)[O-],"InChI=1/C20H15FN2O5S/c1-13-6-9-15(10-7-13)29(27,28)22-19-11-8-14(23(25)26)12-17(19)20(24)16-4-2-3-5-18(16)21/h2-12,22H,1H3",C20H15FN2O5S,,,,,,HDZOKBVEFAIKLM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.953,302-294-9,94107-61-6,Sodium 2-[2-(tridecyloxy)ethoxy]ethyl sulphate,sodium 2-[2-(tridecyloxy)ethoxy]ethyl sulfate,[Na+].CCCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C17H36O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-14-15-22-16-17-23-24(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1",C17H36O6S.Na,,,,,,FDFQLLWHNQBFIV-UHFFFAOYSA-M,,,,,,,,,,,
100.092.958,302-301-5,94107-66-1,Diammonium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,diammonium dihydrogen [(isopropylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.2H3N/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);2*1H3/p-2",C5H15NO6P2.2H3N,,,,,,ZXNFLOLUPCEWJB-UHFFFAOYSA-L,,,,,,,,,,,
100.092.973,302-317-2,94107-81-0,Triammonium hydrogen [(heptylimino)bis(methylene)]bisphosphonate,triammonium hydrogen [(heptylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.3H3N/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);3*1H3/p-1",C9H23NO6P2.3H3N,,,,,,IDRUAEVIVUWXLG-UHFFFAOYSA-M,,,,,,,,,,,
100.092.974,302-318-8,94107-82-1,Triammonium hydrogen [(octylimino)bis(methylene)]bisphosphonate,triammonium hydrogen [(octylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.3H3N/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);3*1H3/p-1",C10H25NO6P2.3H3N,,,,,,XLDDLJNRMMWMHP-UHFFFAOYSA-M,,,,,,,,,,,
100.092.977,302-321-4,94107-85-4,"(8a,9R)-9-hydroxy-6'-methoxycinchonanium nicotinate",6'-methoxycinchonan-1-ium-9-ol nicotinate,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-]C(=O)c5cccnc5,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-]C(=O)c5cccnc5,"InChI=1/C20H24N2O2.C6H5NO2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-6(9)5-2-1-3-7-4-5/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4H,(H,8,9)",C20H24N2O2.C6H5NO2,,,,,,JLKLNKWCCKPIOP-DSXUQNDKSA-N,,,,,,,,,,,
100.092.978,302-323-5,94107-86-5,"Lithium 3,7,12-trioxo-5ß-cholan-24-oate","lithium 3,7,12-trioxocholan-24-oate",[Li+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O,[Li+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O,"InChI=1/C24H34O5.Li/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1",C24H34O5.Li,,,,,,MDBRRPHXJSSWBY-CAOXKPNISA-M,,,,,,,,,,,
100.090.800,299-926-8,93918-47-9,"N,N'-(iminodiethane-1,2-diyl)bis(octadeca-9,12-dien-1-amide)","N,N'-(iminodiethane-2,1-diyl)bisoctadeca-9,12-dienamide",CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC,CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC,"InChI=1/C40H73N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,41H,3-10,15-16,21-38H2,1-2H3,(H,42,44)(H,43,45)",C40H73N3O2,,,,,,IGJRJHXMSKJRMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.804,299-931-5,93918-51-5,"N,N'-[ethane-1,2-diylbis(iminoethane-1,2-diyl)]bis(octadeca-9,12-dien-1-amide)","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisoctadeca-9,12-dienamide",CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC,CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC,"InChI=1/C42H78N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43-44H,3-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48)",C42H78N4O2,,,,,,DBTILCAHOHXIHS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.810,299-937-8,93918-57-1,"N,N'-(iminodiethylene)bis(dodecanamide) monoacetate","N,N'-(iminodiethane-2,1-diyl)didodecanamide acetate",CCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O,"InChI=1/C28H57N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-27(32)30-25-23-29-24-26-31-28(33)22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h29H,3-26H2,1-2H3,(H,30,32)(H,31,33);1H3,(H,3,4)",C28H57N3O2.C2H4O2,,,,,,HFKSSAATGSUDJT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.749,275-647-7,71587-49-0,Sodium aluminium potassium silicate(1:4:3:4),sodium aluminium potassium silicate(1:4:3:4),[NaH].[AlH3].[AlH3].[AlH3].[AlH3].[KH].[KH].[KH].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[NaH].[AlH3].[AlH3].[AlH3].[AlH3].[KH].[KH].[KH].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/4Al.3K.Na.4O3Si.16H/c;;;;;;;;4*1-4(2)3;;;;;;;;;;;;;;;;/q4*+3;4*+1;4*-2;;;;;;;;;;;;;;;;/r4AlH3.3HK.HNa.4O3Si/c;;;;;;;;4*1-4(2)3/h4*1H3;4*1H;;;;/q4*+3;4*+1;4*-2,Al.H4O4Si.3/4K.1/4Na,,,,,,FRNWEEASUOCHQR-UHFFFAOYSA-N,,,,,,,,,,,
100.066.006,272-628-5,68900-77-6,(E)-dec-1-enyldioctylaluminium,dec-1-en-1-yl(dioctyl)aluminum,CCCCCCCC\\C=C\\[Al](CCCCCCCC)CCCCCCCC,CCCCCCCC\C=C\[Al](CCCCCCCC)CCCCCCCC,"InChI=1/C10H19.2C8H17.Al/c1-3-5-7-9-10-8-6-4-2;2*1-3-5-7-8-6-4-2;/h1,3H,4-10H2,2H3;2*1,3-8H2,2H3;/rC26H53Al/c1-4-7-10-13-16-17-20-23-26-27(24-21-18-14-11-8-5-2)25-22-19-15-12-9-6-3/h23,26H,4-22,24-25H2,1-3H3",C26H53Al,,,,,,UWJGEOKDDWFZCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.754,274-553-3,70311-20-5,"Ethyl 3-(3,4,5-trimethoxyphenyl)propionate","ethyl 3-(3,4,5-trimethoxyphenyl)propanoate",CCOC(=O)CCc1cc(OC)c(OC)c(OC)c1,CCOC(=O)CCc1cc(OC)c(OC)c(OC)c1,"InChI=1/C14H20O5/c1-5-19-13(15)7-6-10-8-11(16-2)14(18-4)12(9-10)17-3/h8-9H,5-7H2,1-4H3",C14H20O5,,,,,,AYBWQZGGKFGQLB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.884,276-895-9,72828-91-2,"3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium chloride","9-ethyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-3H-carbazolium chloride",[Cl-].CC[N+]=2c1ccccc1/C/3=C/C(/C=C\\C=2\\3)=CC=C5N(C)c4ccccc4C5(C)C,[Cl-].CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C,"InChI=1/C27H27N2.ClH/c1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4;/h6-18H,5H2,1-4H3;1H/q+1;/p-1",C27H27N2.Cl,,,,,,JPMARVPXSSJVDI-UHFFFAOYSA-M,,,,,,,,,,,
100.069.890,276-903-0,72829-11-9,"Trisodium 4-amino-3-[[4-[[[4-[(8-amino-1-hydroxy-5-sulphonato-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(8-amino-1-hydroxy-5-sulfonato-2-naphthyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7ccc(N)c6c7ccc(N=Nc1ccc(cc1)NC(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c6O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7ccc(N)c6c7ccc(N=Nc1ccc(cc1)NC(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c6O,"InChI=1/C39H29N9O12S3.3Na/c40-27-15-17-29(61(52,53)54)26-14-16-28(37(49)33(26)27)46-43-25-12-10-22(11-13-25)42-39(51)20-6-8-24(9-7-20)45-47-35-30(62(55,56)57)18-21-19-31(63(58,59)60)36(38(50)32(21)34(35)41)48-44-23-4-2-1-3-5-23;;;/h1-19,49-50H,40-41H2,(H,42,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3",C39H29N9O12S3.3Na,,,,,,JEDDVPFSXMGBTK-UHFFFAOYSA-K,,,,,,,,,,,
100.069.899,276-913-5,72829-26-6,"Trisodium 4-[[4-chloro-6-[(2-methyl-4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","trisodium 2,5-dichloro-4-(4-{[5-({4-chloro-6-[(2-methyl-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(C)c5,"InChI=1/C26H20Cl3N9O10S3.3Na/c1-11-7-14(49(40,41)42)4-5-17(11)31-26-33-24(29)32-25(34-26)30-13-3-6-20(50(43,44)45)18(8-13)35-36-22-12(2)37-38(23(22)39)19-9-16(28)21(10-15(19)27)51(46,47)48;;;/h3-10,22H,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,30,31,32,33,34);;;/q;3*+1/p-3",C26H20Cl3N9O10S3.3Na,,,,,,NMXIYULPLGQHTR-UHFFFAOYSA-K,,,,,,,,,,,
100.069.914,276-929-2,72845-37-5,3-methylpent-3-en-1-yl formate,3-methylpent-3-en-1-yl formate,CC(=CC)CCOC=O,CC(=CC)CCOC=O,"InChI=1/C7H12O2/c1-3-7(2)4-5-9-6-8/h3,6H,4-5H2,1-2H3",C7H12O2,,,,,,MVEQBILLHRZAJK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.014,272-636-9,68900-85-6,(E)-but-1-enyldiethylaluminium,but-1-en-1-yl(diethyl)aluminum,CC\\C=C\\[Al](CC)CC,CC\C=C\[Al](CC)CC,"InChI=1/C4H7.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3H,4H2,2H3;2*1H2,2H3;/rC8H17Al/c1-4-7-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3",C8H17Al,,,,,,FJUIOMXPUOHENF-UHFFFAOYSA-N,,,,,,,,,,,
100.066.028,272-652-6,68901-09-7,2-chloro-5-(methylsulphamoyl)benzoic acid,2-chloro-5-(methylsulfamoyl)benzoic acid,CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)O,CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)O,"InChI=1/C8H8ClNO4S/c1-10-15(13,14)5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,1H3,(H,11,12)",C8H8ClNO4S,,,,,,RULGDFLFEUYACU-UHFFFAOYSA-N,,,,,,,,,,,
100.066.030,272-654-7,68901-11-1,"(R)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)cyclohexa-2,4-dien-1-one, lead salt",-,[Pb].O=C1C(/CC(=O)C(C)C)=C(/O)\\C(\\C\\C=C(/C)C)=C(\\O)[C@]1(O)C\\C=C(/C)C,[Pb].O=C1C(/CC(=O)C(C)C)=C(/O)\C(\C\C=C(/C)C)=C(\O)[C@]1(O)C\C=C(/C)C,"InChI=1/C21H30O5.Pb.2H/c1-12(2)7-8-15-18(23)16(11-17(22)14(5)6)20(25)21(26,19(15)24)10-9-13(3)4;;;/h7,9,14,23-24,26H,8,10-11H2,1-6H3;;;/q;+4;;/rC21H30O5.H2Pb/c1-12(2)7-8-15-18(23)16(11-17(22)14(5)6)20(25)21(26,19(15)24)10-9-13(3)4;/h7,9,14,23-24,26H,8,10-11H2,1-6H3;1H2/q;+4",C21H30O5.xPb,,,,,,VYUAIOLDAJUWKU-ZMBIFBSDSA-N,,,,,,,,,,,
100.091.962,301-205-0,93982-14-0,Nonylphenyl hydrogen adipate,6-(2-nonylphenoxy)-6-oxohexanoic acid,CCCCCCCCCc1ccccc1OC(=O)CCCCC(=O)O,CCCCCCCCCc1ccccc1OC(=O)CCCCC(=O)O,"InChI=1/C21H32O4/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)25-21(24)17-12-11-16-20(22)23/h9-10,14-15H,2-8,11-13,16-17H2,1H3,(H,22,23)",C21H32O4,,,,,,JTGBFUOKEMPUSH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.964,301-207-1,93982-16-2,"4-benzyl-7-(4-chlorobutoxy)-1,3-dihydro-6-methylfuro[3,4-c]pyridine","4-benzyl-7-(4-chlorobutoxy)-6-methyl-1,3-dihydrofuro[3,4-c]pyridine",Cc1nc(Cc2ccccc2)c3COCc3c1OCCCCCl,Cc1nc(Cc2ccccc2)c3COCc3c1OCCCCCl,"InChI=1/C19H22ClNO2/c1-14-19(23-10-6-5-9-20)17-13-22-12-16(17)18(21-14)11-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3",C19H22ClNO2,,,,,,IMKUBGIAGNRTLM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.978,301-222-3,93982-33-3,Ammonium pentyl sulphate,ammonium pentyl sulfate,[NH4+].CCCCCOS(=O)(=O)[O-],[NH4+].CCCCCOS(=O)(=O)[O-],"InChI=1/C5H12O4S.H3N/c1-2-3-4-5-9-10(6,7)8;/h2-5H2,1H3,(H,6,7,8);1H3",C5H12O4S.H3N,,,,,,MGHQUGUIYCOZKR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.979,301-223-9,93982-34-4,4-amino-1-hydroxy-2-phenoxyanthraquinone,"4-amino-1-hydroxy-2-phenoxy-9,10-anthraquinone",Nc1cc(Oc2ccccc2)c(O)c3C(=O)c4ccccc4C(=O)c13,Nc1cc(Oc2ccccc2)c(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO4/c21-14-10-15(25-11-6-2-1-3-7-11)20(24)17-16(14)18(22)12-8-4-5-9-13(12)19(17)23/h1-10,24H,21H2",C20H13NO4,,,,,,YUTGHDCQYGHVNW-UHFFFAOYSA-N,,,,,,,,,,,
100.088.864,297-797-2,93762-80-2,"Alkenes, C15-18","hexadeca-5,9-diene",CCCCCC\\C=C\\CC\\C=C\\CCCC,CCCCCC\C=C\CC\C=C\CCCC,"InChI=1/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h9,11,14,16H,3-8,10,12-13,15H2,1-2H3",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13243,https://echa.europa.eu/substance-information/-/substanceinfo/100.088.864,RMTVKKKRDAWJCP-RHYUXORRSA-N,,,,,,,,,,,
100.092.525,301-823-0,94071-22-4,Methyl 2-decyl-3-hydroxytetradecanoate,methyl 2-decyl-3-hydroxytetradecanoate,CCCCCCCCCCCC(O)C(CCCCCCCCCC)C(=O)OC,CCCCCCCCCCCC(O)C(CCCCCCCCCC)C(=O)OC,"InChI=1/C25H50O3/c1-4-6-8-10-12-14-16-18-20-22-24(26)23(25(27)28-3)21-19-17-15-13-11-9-7-5-2/h23-24,26H,4-22H2,1-3H3",C25H50O3,,,,,,WENUEWXDPUUADB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.528,301-826-7,94071-25-7,"2-hydroxy-3-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]propyltrimethylammonium acetate","2-hydroxy-N,N,N-trimethyl-3-(3-{1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl}propoxy)propan-1-aminium acetate",CC(=O)[O-].C[N+](C)(C)CC(O)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,CC(=O)[O-].C[N+](C)(C)CC(O)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1/C16H42NO4Si3.C2H4O2/c1-17(2,3)14-16(18)15-19-12-11-13-24(10,20-22(4,5)6)21-23(7,8)9;1-2(3)4/h16,18H,11-15H2,1-10H3;1H3,(H,3,4)/q+1;/p-1",C16H42NO4Si3.C2H3O2,,,,,,OHSRJYCSRANJSR-UHFFFAOYSA-M,,,,,,,,,,,
100.092.529,301-827-2,94086-40-5,"(+)-3,7-dimethyloct-6-enyl propionate","3,7-dimethyloct-6-en-1-yl propionate",CCC(=O)OCCC(C)CCC=C(C)C,CCC(=O)OCCC(C)CCC=C(C)C,"InChI=1/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3",C13H24O2,,,,,,POPNTVRHTZDEBW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.538,301-837-7,94086-49-4,Zinc dimethylhexanoate,"zinc bis(2,2-dimethylhexanoate)",[Zn+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],[Zn+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],"InChI=1/2C8H16O2.Zn/c2*1-4-5-6-8(2,3)7(9)10;/h2*4-6H2,1-3H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Zn,,,,,,BSWMBTXPTUSAPP-UHFFFAOYSA-L,,,,,,,,,,,
100.092.541,301-840-3,94086-52-9,(S)-5'-[(3-amino-3-carboxypropyl)methylsulphonio]-5'-deoxyadenosine sulphate bis(toluene-p-sulphonate),-,C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23.Cc4ccc(cc4)S(=O)(=O)[O-].Cc5ccc(cc5)S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23.Cc4ccc(cc4)S(=O)(=O)[O-].Cc5ccc(cc5)S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/C15H22N6O5S.2C7H8O3S.H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;2*1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2*2-5H,1H3,(H,8,9,10);(H2,1,2,3,4)/p-3",C15H23N6O5S.2C7H8O3S.HO4S,,,,,,AILGAWFYXHXVFT-SPWYAPBOSA-K,,,,,,,,,,,
100.092.542,301-841-9,94086-53-0,"5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorosulphophenyl)methyl]-3-methylsalicylic acid","5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid",OC(=O)c1cc(cc(C)c1O)C(c2c(Cl)c(ccc2Cl)S(O)(=O)=O)=C/3/C=C(/C)C(=O)\\C(=C\\3)C(O)=O,OC(=O)c1cc(cc(C)c1O)C(c2c(Cl)c(ccc2Cl)S(O)(=O)=O)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O,"InChI=1/C23H16Cl2O9S/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34)",C23H16Cl2O9S,,,,,,GNKCWVPIWVNYKN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.546,301-846-6,94086-58-5,Copper tetrapropenylsuccinate,copper(2+) tetraprop-1-en-1-ylsuccinate,[Cu+2].[O-]C(=O)C(\\C=C\\C)(\\C=C\\C)C(/C=C\\C)(\\C=C\\C)C(=O)[O-],[Cu+2].[O-]C(=O)C(\C=C\C)(\C=C\C)C(/C=C\C)(\C=C\C)C(=O)[O-],"InChI=1/C16H22O4.Cu/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;/h5-12H,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2",C16H28O4.Cu,,,,,,YKOPUPIARNQPGE-YAAIJISTSA-L,,,,,,,,,,,
100.091.980,301-224-4,93982-35-5,"1,1'-[1,3-butadiene-1,4-diylbis[(5-methyl-2,6-benzoxazolediyl)methylene]]dipyridinium dichloride","1,1'-{buta-1,3-diene-1,4-diylbis[(5-methyl-1,3-benzoxazole-2,6-diyl)methylene]}dipyridinium dichloride",[Cl-].[Cl-].Cc2cc3nc(oc3cc2C[n+]1ccccc1)C=CC=Cc4nc5cc(C)c(cc5o4)C[n+]6ccccc6,[Cl-].[Cl-].Cc2cc3nc(oc3cc2C[n+]1ccccc1)C=CC=Cc4nc5cc(C)c(cc5o4)C[n+]6ccccc6,"InChI=1/C32H28N4O2.2ClH/c1-23-17-27-29(19-25(23)21-35-13-7-3-8-14-35)37-31(33-27)11-5-6-12-32-34-28-18-24(2)26(20-30(28)38-32)22-36-15-9-4-10-16-36;;/h3-20H,21-22H2,1-2H3;2*1H/q+2;;/p-2",C32H28N4O2.2Cl,,,,,,PPMSUIPIXMKOBG-UHFFFAOYSA-L,,,,,,,,,,,
100.062.092,268-321-0,68052-42-6,"Undec-10-enoic acid, compound with 1-aminopropan-2-ol (1:1)",undec-10-enoic acid - 1-aminopropan-2-ol (1:1),CC(O)CN.OC(=O)CCCCCCCCC=C,CC(O)CN.OC(=O)CCCCCCCCC=C,"InChI=1/C11H20O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3(5)2-4/h2H,1,3-10H2,(H,12,13);3,5H,2,4H2,1H3",C11H20O2.C3H9NO,,,,,,LZHOZIXVTRGBKD-UHFFFAOYSA-N,,,,,,,,,,,
100.062.097,268-326-8,68052-47-1,"Oleic acid, compound with 2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazole-1-ethanol (1:1)","octadec-9-enoic acid - 2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol (1:1)",OCCN1CC\\N=C1\\CCCCCCCC=CCCCCCCCC.CCCCCCCC\\C=C/CCCCCCCC(O)=O,OCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC.CCCCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1/C22H42N2O.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,25H,2-8,11-21H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C22H42N2O.C18H34O2,,,,,,WTAQLNDBXXAOPJ-SVMKZPJVSA-N,,,,,,,,,,,
100.062.099,268-328-9,68052-50-6,Tributylethylammonium hydrogen sulphate,"N,N-dibutyl-N-ethylbutan-1-aminium hydrogen sulfate",CCCC[N+](CC)(CCCC)CCCC.[O-]S(=O)(=O)[O-],CCCC[N+](CC)(CCCC)CCCC.[O-]S(=O)(=O)[O-],"InChI=1/C14H32N.H2O4S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-5(2,3)4/h5-14H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C14H32N.HO4S,,,,,,ZVLLREDZJNHSGI-UHFFFAOYSA-L,,,,,,,,,,,
100.062.104,268-334-1,68067-13-0,"5-oxo-L-proline, compound with dicyclohexylamine (1:1)",5-oxo-L-proline - N-cyclohexylcyclohexanamine (1:1),OC(=O)[C@@H]1CCC(=O)N1.C2CCC(CC2)NC3CCCCC3,OC(=O)[C@@H]1CCC(=O)N1.C2CCC(CC2)NC3CCCCC3,"InChI=1/C12H23N.C5H7NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-4-2-1-3(6-4)5(8)9/h11-13H,1-10H2;3H,1-2H2,(H,6,7)(H,8,9)",C12H23N.C5H7NO3,,,,,,CVGYJNBFLSPBEX-HVDRVSQOSA-N,,,,,,,,,,,
100.090.127,299-187-1,93857-52-4,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C17H6F31O4P.2H3N/c18-3(19,1-2-52-53(49,50)51)5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)14(39,40)12(35,36)10(31,32)8(27,28)6(23,24)4(20,16(43,44)45)17(46,47)48;;/h1-2H2,(H2,49,50,51);2*1H3",C17H6F31O4P.2H3N,,,,,,MRVZZWAFWXEGFD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.134,299-195-5,93857-59-1,"2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(4-sulfophenyl)azo]-, disodium salt, compd. with 2,2'-iminobis[ethanol] (1:2)","disodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonate bis(2,2'-iminodiethanol) (1:2)",[Na+].[Na+].COc6cc(c(C)cc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S(O)(=O)=O)S([O-])(=O)=O.OCCNCCO.OCCNCCO,[Na+].[Na+].COc6cc(c(C)cc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S(O)(=O)=O)S([O-])(=O)=O.OCCNCCO.OCCNCCO,"InChI=1/C35H28N6O16S4.2C4H11NO2.2Na/c1-17-11-26(27(57-2)16-28(17)59(48,49)50)39-41-32-30(61(54,55)56)15-19-13-22(6-10-25(19)34(32)43)37-35(44)36-21-5-9-24-18(12-21)14-29(60(51,52)53)31(33(24)42)40-38-20-3-7-23(8-4-20)58(45,46)47;2*6-3-1-5-2-4-7;;/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);2*5-7H,1-4H2;;/q;;;2*+1/p-2",C35H28N6O16S4.2C4H11NO2.2Na,,,,,,CRUNAGYCNFHYJX-UHFFFAOYSA-L,,,,,,,,,,,
100.090.136,299-197-6,93857-61-5,"Trisodium N-[2-[[2-[4-[[1-amino-8-hydroxy-7-(phenylazo)-3,6-disulphonato-2-naphthyl]azo]phenyl]-1H-benzimidazol-5-yl]azo]-5-hydroxyphenyl]glycinate","trisodium [(2-{[2-(4-{[1-amino-8-hydroxy-7-(phenyldiazenyl)-3,6-disulfonato-2-naphthyl]diazenyl}phenyl)-1H-benzimidazol-5-yl]diazenyl}-5-hydroxyphenyl)amino]acetate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6NCC([O-])=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6NCC([O-])=O)S([O-])(=O)=O,"InChI=1/C37H28N10O10S2.3Na/c38-33-32-20(15-30(59(55,56)57)35(36(32)51)47-42-21-4-2-1-3-5-21)14-29(58(52,53)54)34(33)46-43-22-8-6-19(7-9-22)37-40-25-12-10-23(16-28(25)41-37)44-45-26-13-11-24(48)17-27(26)39-18-31(49)50;;;/h1-17,39,48,51H,18,38H2,(H,40,41)(H,49,50)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3",C37H28N10O10S2.3Na,,,,,,RBRGWRDCHPZOKB-UHFFFAOYSA-K,,,,,,,,,,,
100.090.137,299-198-1,93857-62-6,Thiazol-2-ylammonium hydrogen sulphite,"1,3-thiazol-2-aminium hydrogen sulfite",[NH3+]c1nccs1.[O-]S(=O)[O-],[NH3+]c1nccs1.[O-]S(=O)[O-],"InChI=1/C3H4N2S.H2O3S/c4-3-5-1-2-6-3;1-4(2)3/h1-2H,(H2,4,5);(H2,1,2,3)/p-1",C3H4N2S.H2O3S,,,,,,FRTDJTCZPSPLJY-UHFFFAOYSA-M,,,,,,,,,,,
100.090.814,299-942-5,93918-62-8,"N,N'-(iminodiethylene)bis(octadeca-9,12-dienamide) monoacetate","N,N'-(iminodiethane-2,1-diyl)bisoctadeca-9,12-dienamide acetate",O=C(NCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC.CC(O)=O,O=C(NCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC.CC(O)=O,"InChI=1/C40H73N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h11-14,17-20,41H,3-10,15-16,21-38H2,1-2H3,(H,42,44)(H,43,45);1H3,(H,3,4)",C40H73N3O2.C2H4O2,,,,,,LLDOUZQKVYIYBF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.818,299-946-7,93918-66-2,"N,N'-[ethylenebis(iminoethylene)]bispalmitamide monoacetate","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]dihexadecanamide acetate",CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C38H78N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(43)41-35-33-39-31-32-40-34-36-42-38(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h39-40H,3-36H2,1-2H3,(H,41,43)(H,42,44);1H3,(H,3,4)",C38H78N4O2.C2H4O2,,,,,,WKXKBWZHSWSQLU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.018,301-266-3,93982-78-6,"Sodium 1-amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulphonyl]amino]cyclohexyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-{[(4-methylphenyl)sulfonyl]amino}cyclohexyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(cc1)S(=O)(=O)NC2CCC(CC2)Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-],[Na+].Cc1ccc(cc1)S(=O)(=O)NC2CCC(CC2)Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-],"InChI=1/C27H27N3O7S2.Na/c1-15-6-12-18(13-7-15)38(33,34)30-17-10-8-16(9-11-17)29-21-14-22(39(35,36)37)25(28)24-23(21)26(31)19-4-2-3-5-20(19)27(24)32;/h2-7,12-14,16-17,29-30H,8-11,28H2,1H3,(H,35,36,37);/q;+1/p-1",C27H27N3O7S2.Na,,,,,,UXBSXPIGFWJKHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.092.019,301-267-9,93982-79-7,"Sodium 3-[[2,2'-dimethyl-4'-[[4-[(phenylsulphonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate","disodium 3-{[2,2'-dimethyl-4'-({4-[(phenylsulfonyl)oxy]phenyl}diazenyl)biphenyl-4-yl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5C)c6ccccc6,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5C)c6ccccc6,"InChI=1/C36H28N4O10S3.2Na/c1-22-18-26(38-37-25-8-12-28(13-9-25)50-53(48,49)29-6-4-3-5-7-29)10-15-31(22)32-16-11-27(19-23(32)2)39-40-35-34(52(45,46)47)21-24-20-30(51(42,43)44)14-17-33(24)36(35)41;;/h3-21,41H,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C36H28N4O10S3.xNa,,,,,,GPUNJJQVDAZQRI-UHFFFAOYSA-L,,,,,,,,,,,
100.092.035,301-285-7,93982-98-0,4-chloro-N-(5-ethyl-2-hydroxyphenyl)benzamide,4-chloro-N-(5-ethyl-2-hydroxyphenyl)benzamide,CCc1ccc(O)c(NC(=O)c2ccc(Cl)cc2)c1,CCc1ccc(O)c(NC(=O)c2ccc(Cl)cc2)c1,"InChI=1/C15H14ClNO2/c1-2-10-3-8-14(18)13(9-10)17-15(19)11-4-6-12(16)7-5-11/h3-9,18H,2H2,1H3,(H,17,19)",C15H14ClNO2,,,,,,ZLBNQXDATOISEF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.038,301-288-3,93983-01-8,"1-(6-amino-1,3-benzodioxol-5-yl)ethan-1-one hydrochloride","1-(6-amino-1,3-benzodioxol-5-yl)ethanone hydrochloride",Cl.CC(=O)c1cc2OCOc2cc1N,Cl.CC(=O)c1cc2OCOc2cc1N,"InChI=1/C9H9NO3.ClH/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8;/h2-3H,4,10H2,1H3;1H",C9H9NO3.ClH,,,,,,PIVDPBIZDWHINL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.045,301-296-7,93983-08-5,"N,N'-bis(bromophenyl)guanidine monohydrochloride","1,3-bis(2-bromophenyl)guanidine hydrochloride",Cl.Brc1ccccc1NC(=N)Nc2ccccc2Br,Cl.Brc1ccccc1NC(=N)Nc2ccccc2Br,"InChI=1/C13H11Br2N3.ClH/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15;/h1-8H,(H3,16,17,18);1H",C13H11Br2N3.ClH,,,,,,XAEXCQIEPLOBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.047,301-298-8,93983-10-9,"Tetraammonium tetrahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","tetraammonium tetrahydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.4H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);4*1H3/p-4",C6H20N2O12P4.4H3N,,,,,,SJJUATKUTNDIHJ-UHFFFAOYSA-J,,,,,,,,,,,
100.092.048,301-299-3,93983-11-0,"Pentaammonium trihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","pentaammonium trihydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.5H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);5*1H3/p-3",C6H20N2O12P4.5H3N,,,,,,RVDIGOIFJAOZKR-UHFFFAOYSA-K,,,,,,,,,,,
100.092.994,302-340-8,94108-03-9,Betaine D-gluconate,-,C[N+](C)(C)CC(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],C[N+](C)(C)CC(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/C6H12O7.C5H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-6(2,3)4-5(7)8/h2-5,7-11H,1H2,(H,12,13);4H2,1-3H3/p-1",C6H11O7.C5H12NO2,,,,,,UQBXMPGEPBEEAU-JJKGCWMISA-M,,,,,,,,,,,
100.066.039,272-664-1,68901-21-3,"2-carboxy-2-methylpropane-1,3-diyl cyclohexane-1,2-dicarboxylate",2-[(2-carboxy-3-{[(2-carboxycyclohexyl)carbonyl]oxy}-2-methylpropoxy)carbonyl]cyclohexanecarboxylate,CC(COC(=O)C1CCCCC1C(=O)O)(COC(=O)C2CCCCC2C(=O)[O-])C(=O)O,CC(COC(=O)C1CCCCC1C(=O)O)(COC(=O)C2CCCCC2C(=O)[O-])C(=O)O,"InChI=1/C21H30O10/c1-21(20(28)29,10-30-18(26)14-8-4-2-6-12(14)16(22)23)11-31-19(27)15-9-5-3-7-13(15)17(24)25/h12-15H,2-11H2,1H3,(H,22,23)(H,24,25)(H,28,29)/p-1",C21H30O10,,,,,,XUOHMOHDURPJMM-UHFFFAOYSA-M,,,,,,,,,,,
100.067.787,274-590-5,70384-51-9,Tris[2-(2-methoxyethoxy)ethyl]amine,"2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine",COCCOCCN(CCOCCOC)CCOCCOC,COCCOCCN(CCOCCOC)CCOCCOC,"InChI=1/C15H33NO6/c1-17-10-13-20-7-4-16(5-8-21-14-11-18-2)6-9-22-15-12-19-3/h4-15H2,1-3H3",C15H33NO6,,,,,,XGLVDUUYFKXKPL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.796,274-599-4,70419-11-3,"(R)-1,5-dimethylhexylamine",6-methylheptan-2-amine,CC(C)CCC[C@@H](C)N,CC(C)CCC[C@@H](C)N,"InChI=1/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3",C8H19N,,,,,,QNIVIMYXGGFTAK-MRVPVSSYSA-N,,,,,,,,,,,
100.069.920,276-936-0,72845-89-7,Sodium 2-ethylhexyl (2-ethylhexyl)(2-sulphonatoethyl)carbamate,sodium 2-[(2-ethylhexyl){[(2-ethylhexyl)oxy]carbonyl}amino]ethanesulfonate,[Na+].CCCCC(CC)COC(=O)N(CCS(=O)(=O)[O-])CC(CC)CCCC,[Na+].CCCCC(CC)COC(=O)N(CCS(=O)(=O)[O-])CC(CC)CCCC,"InChI=1/C19H39NO5S.Na/c1-5-9-11-17(7-3)15-20(13-14-26(22,23)24)19(21)25-16-18(8-4)12-10-6-2;/h17-18H,5-16H2,1-4H3,(H,22,23,24);/q;+1/p-1",C19H39NO5S.Na,,,,,,JBBYIYGBKJORCG-UHFFFAOYSA-M,,,,,,,,,,,
100.069.922,276-938-1,72845-91-1,"4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide","4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-3-hydroxy-N-phenyl-2-naphthamide",O=C(Nc1ccccc1)c6cc2ccccc2c(N=Nc5cccc4C(=O)c3ccccc3C(=O)c45)c6O,O=C(Nc1ccccc1)c6cc2ccccc2c(N=Nc5cccc4C(=O)c3ccccc3C(=O)c45)c6O,"InChI=1/C31H19N3O4/c35-28-21-13-6-7-14-22(21)29(36)26-23(28)15-8-16-25(26)33-34-27-20-12-5-4-9-18(20)17-24(30(27)37)31(38)32-19-10-2-1-3-11-19/h1-17,37H,(H,32,38)",C31H19N3O4,,,,,,PGNMEOJOGNIVGT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.926,276-942-3,72850-64-7,Benzyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate,"benzyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate",FC(F)(F)c1nc(Cl)sc1C(=O)OCc2ccccc2,FC(F)(F)c1nc(Cl)sc1C(=O)OCc2ccccc2,"InChI=1/C12H7ClF3NO2S/c13-11-17-9(12(14,15)16)8(20-11)10(18)19-6-7-4-2-1-3-5-7/h1-5H,6H2",C12H7ClF3NO2S,,,,,,MKQSWTQPLLCSOB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.931,276-948-6,72856-73-6,4-(methylthio)-o-anisic acid,2-methoxy-4-(methylsulfanyl)benzoic acid,COc1cc(SC)ccc1C(=O)O,COc1cc(SC)ccc1C(=O)O,"InChI=1/C9H10O3S/c1-12-8-5-6(13-2)3-4-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)",C9H10O3S,,,,,,UOPCPHJGGRTYNC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.948,276-966-4,72894-15-6,"Trideca-2,12-dienal","trideca-2,12-dienal",C=CCCCCCCCCC=CC=O,C=CCCCCCCCCC=CC=O,"InChI=1/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,11-13H,1,3-10H2",C13H22O,,,,,,QIKYGYCMRRQODW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.950,276-969-0,72894-20-3,"N-[5-[bis[2-(allyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-(5-{bis[2-(allyloxy)ethyl]amino}-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl)acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOCC=C)CCOCC=C)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CCOCC=C)CCOCC=C)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C25H29BrN6O8/c1-5-9-39-11-7-30(8-12-40-10-6-2)22-15-20(27-17(3)33)21(16-24(22)38-4)28-29-25-19(26)13-18(31(34)35)14-23(25)32(36)37/h5-6,13-16H,1-2,7-12H2,3-4H3,(H,27,33)",C25H29BrN6O8,,,,,,WAHFECZOUDJXJY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.952,276-971-1,72894-22-5,"6,7-diethoxy-2-(phenylmethyl)-1H-benz[de]isoquinoline-1,3(2H)-dione","2-benzyl-6,7-diethoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",CCOc1ccc2C(=O)N(Cc3ccccc3)C(=O)c4ccc(OCC)c1c24,CCOc1ccc2C(=O)N(Cc3ccccc3)C(=O)c4ccc(OCC)c1c24,"InChI=1/C23H21NO4/c1-3-27-18-12-10-16-20-17(11-13-19(21(18)20)28-4-2)23(26)24(22(16)25)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3",C23H21NO4,,,,,,FJHLVFINFGYXGU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.954,276-973-2,72894-28-1,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium hydrogen sulphate,"N-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-2-hydroxy-N,N-dimethylpropan-1-aminium hydrogen sulfate",[H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S([O-])(=O)=O,[H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S([O-])(=O)=O,"InChI=1/C21H29ClN5O3.H2O4S.H2/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5(2,3)4;/h6-11,14,16,28H,5,12-13,15H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C21H29ClN5O3.HO4S,,,,,,ZSTRVSJNWUAODT-UHFFFAOYSA-M,,,,,,,,,,,
100.066.067,272-695-0,68909-18-2,"Pyridinium, 1-(phenylmethyl)-, ethyl methyl derivs., chlorides","1-benzyl-1-methyl-1,2-dihydropyridinium chloride",[Cl-].C[N+]1(Cc2ccccc2)CC=CC=C1,[Cl-].C[N+]1(Cc2ccccc2)CC=CC=C1,"InChI=1/C13H16N.ClH/c1-14(10-6-3-7-11-14)12-13-8-4-2-5-9-13;/h2-10H,11-12H2,1H3;1H/q+1;/p-1",-,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7591,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.067,NBNVYJFZJWMHPR-UHFFFAOYSA-M,,,,,,,,,,,
100.091.981,301-226-5,93982-37-7,"1,1'-[1,3-butadiene-1,4-diylbis[(5-methyl-2,6-benzoxazolediyl)methylene]]dipyridinium sulphate","1,1'-{buta-1,3-diene-1,4-diylbis[(5-methyl-1,3-benzoxazole-2,6-diyl)methylene]}dipyridinium sulfate",[O-]S([O-])(=O)=O.Cc2cc3nc(oc3cc2C[n+]1ccccc1)C=CC=Cc4nc5cc(C)c(cc5o4)C[n+]6ccccc6,[O-]S([O-])(=O)=O.Cc2cc3nc(oc3cc2C[n+]1ccccc1)C=CC=Cc4nc5cc(C)c(cc5o4)C[n+]6ccccc6,"InChI=1/C32H28N4O2.H2O4S/c1-23-17-27-29(19-25(23)21-35-13-7-3-8-14-35)37-31(33-27)11-5-6-12-32-34-28-18-24(2)26(20-30(28)38-32)22-36-15-9-4-10-16-36;1-5(2,3)4/h3-20H,21-22H2,1-2H3;(H2,1,2,3,4)/q+2;/p-2",C32H28N4O2.O4S,,,,,,QXKIHATXUIJDNF-UHFFFAOYSA-L,,,,,,,,,,,
100.091.983,301-228-6,93982-39-9,"5,10,15,20,25,30,35,40-octaoxatetratetracontane-1,44-diyl diacrylate","46-oxo-5,10,15,20,25,30,35,40,45-nonaoxaoctatetracont-47-en-1-yl acrylate (non-preferred name)",C=CC(=O)OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC(=O)C=C,C=CC(=O)OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC(=O)C=C,"InChI=1/C42H78O12/c1-3-41(43)53-39-21-19-37-51-35-17-15-33-49-31-13-11-29-47-27-9-7-25-45-23-5-6-24-46-26-8-10-28-48-30-12-14-32-50-34-16-18-36-52-38-20-22-40-54-42(44)4-2/h3-4H,1-2,5-40H2",C42H78O12,,,,,,XIRCRPNSIVRMQI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.992,301-238-0,93982-50-4,"4-[bis[4-[bis(phenylmethyl)amino]phenyl]methyl]benzene-1,3-disulphonic acid","4-{bis[4-(dibenzylamino)phenyl]methyl}benzene-1,3-disulfonic acid",OS(=O)(=O)c1ccc(C(c2ccc(cc2)N(Cc3ccccc3)Cc4ccccc4)c5ccc(cc5)N(Cc6ccccc6)Cc7ccccc7)c(c1)S(=O)(=O)O,OS(=O)(=O)c1ccc(C(c2ccc(cc2)N(Cc3ccccc3)Cc4ccccc4)c5ccc(cc5)N(Cc6ccccc6)Cc7ccccc7)c(c1)S(=O)(=O)O,"InChI=1/C47H42N2O6S2/c50-56(51,52)44-29-30-45(46(31-44)57(53,54)55)47(40-21-25-42(26-22-40)48(32-36-13-5-1-6-14-36)33-37-15-7-2-8-16-37)41-23-27-43(28-24-41)49(34-38-17-9-3-10-18-38)35-39-19-11-4-12-20-39/h1-31,47H,32-35H2,(H,50,51,52)(H,53,54,55)",C47H42N2O6S2,,,,,,GTBGZMMEAUYMQS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.997,301-243-8,93982-55-9,"Disodium 2-[[6-[[6-anilino-4-[4-sulphamoylphenyl]-1,3,5-triazin-2-yl]amino]-2-naphthyl]azo]-5-[(4-sulphonatophenyl)azo]benzenesulphonate","disodium 2-[(6-{[4-anilino-6-(4-sulfamoylphenyl)-1,3,5-triazin-2-yl]amino}-2-naphthyl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7ccc(N=Nc2ccc3cc(ccc3c2)Nc5nc(nc(Nc4ccccc4)n5)c6ccc(cc6)S(N)(=O)=O)c(c7)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc7ccc(N=Nc2ccc3cc(ccc3c2)Nc5nc(nc(Nc4ccccc4)n5)c6ccc(cc6)S(N)(=O)=O)c(c7)S([O-])(=O)=O,"InChI=1/C37H28N10O8S3.2Na/c38-56(48,49)31-15-8-23(9-16-31)35-41-36(39-26-4-2-1-3-5-26)43-37(42-35)40-28-10-6-25-21-29(11-7-24(25)20-28)46-47-33-19-14-30(22-34(33)58(53,54)55)45-44-27-12-17-32(18-13-27)57(50,51)52;;/h1-22H,(H2,38,48,49)(H,50,51,52)(H,53,54,55)(H2,39,40,41,42,43);;/q;2*+1/p-2",C37H28N10O8S3.2Na,,,,,,XMVJTZYIJLZZEH-UHFFFAOYSA-L,,,,,,,,,,,
100.088.658,297-568-7,93658-86-7,"5-[(2,4-dihydroxyphenyl)azo]naphthalene-1-sulphonic acid","5-[(2,4-dihydroxyphenyl)diazenyl]naphthalene-1-sulfonic acid",Oc3cc(O)ccc3N=Nc2cccc1c2cccc1S(O)(=O)=O,Oc3cc(O)ccc3N=Nc2cccc1c2cccc1S(O)(=O)=O,"InChI=1/C16H12N2O5S/c19-10-7-8-14(15(20)9-10)18-17-13-5-1-4-12-11(13)3-2-6-16(12)24(21,22)23/h1-9,19-20H,(H,21,22,23)",C16H12N2O5S,,,,,,DRNZDUCLSSXXHX-UHFFFAOYSA-N,,,,,,,,,,,
100.088.661,297-571-3,93661-75-7,"(Z)-N,N-bis(2-hydroxyethyl)docos-13-enamide","N,N-bis(2-hydroxyethyl)docos-13-enamide",CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)N(CCO)CCO,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27(22-24-28)23-25-29/h9-10,28-29H,2-8,11-25H2,1H3",C26H51NO3,,,,,,VVZUSTMGQZYVLJ-KTKRTIGZSA-N,,,,,,,,,,,
100.090.507,299-604-7,93893-17-5,Dilutetium trimagnesium dodecanitrate,dilutetium trimagnesium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[Lu+3].[Lu+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[Lu+3].[Lu+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2Lu.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1,HNO3.1/6Lu.1/2Mg,,,,,,ZMZVAHFTSSDSQH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.511,299-608-9,93893-21-1,Trimagnesium diterbium dodecanitrate,trimagnesium diterbium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[Tb+3].[Tb+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[Tb+3].[Tb+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3Mg.12NO3.2Tb/c;;;12*2-1(3)4;;/q3*+2;12*-1;2*+3,HNO3.1/4Mg.1/6Tb,,,,,,ZJVGFGWZGOWOTM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.512,299-609-4,93893-22-2,Diammonium thulium pentanitrate,diammonium thulium pentanitrate,[NH4+].[NH4+].[Tm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Tm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/5NO3.2H3N.Tm/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2,H3N.5/2HNO3.1/2Tm,,,,,,JWOMAMWQLFGIPV-UHFFFAOYSA-P,,,,,,,,,,,
100.090.516,299-614-1,93893-26-6,(Z)-N-(2-hydroxyethyl)-N-[2-[(1-oxo-9-octadecenyl)amino]ethyl]glycine,N-(2-hydroxyethyl)-N-[2-(oleoylamino)ethyl]glycine,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCN(CCO)CC(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)NCCN(CCO)CC(=O)O,"InChI=1/C24H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30/h9-10,27H,2-8,11-22H2,1H3,(H,25,28)(H,29,30)",C24H46N2O4,,,,,,WZYZRBKYWZVNTR-KTKRTIGZSA-N,,,,,,,,,,,
100.062.406,268-667-2,68133-24-4,"Hexasodium 4-amino-3,6-bis[[5-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","hexasodium 4-amino-3,6-bis{[5-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8cc(N=Nc7c(cc6cc(c(N=Nc5cc(Nc4nc(Nc3cccc(c3)S([O-])(=O)=O)nc(Cl)n4)ccc5S([O-])(=O)=O)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O)c(cc8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8cc(N=Nc7c(cc6cc(c(N=Nc5cc(Nc4nc(Nc3cccc(c3)S([O-])(=O)=O)nc(Cl)n4)ccc5S([O-])(=O)=O)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O)c(cc8)S([O-])(=O)=O,"InChI=1/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-26(79(65,66)67)24(15-20)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-16-21(8-10-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6",C40H29Cl2N15O19S6.6Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17439,https://echa.europa.eu/substance-information/-/substanceinfo/100.062.406,YRPZCUJHDXAQRR-UHFFFAOYSA-H,,,,,,,,,,,
100.062.407,268-668-8,68133-25-5,2-methoxyethyl N-(2-methoxy-5-nitrophenyl)-ß-alaninate,2-methoxyethyl N-(2-methoxy-5-nitrophenyl)-beta-alaninate,COCCOC(=O)CCNc1cc(ccc1OC)[N+](=O)[O-],COCCOC(=O)CCNc1cc(ccc1OC)[N+](=O)[O-],"InChI=1/C13H18N2O6/c1-19-7-8-21-13(16)5-6-14-11-9-10(15(17)18)3-4-12(11)20-2/h3-4,9,14H,5-8H2,1-2H3",C13H18N2O6,,,,,,DYSWWFSUVZDAHO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.994,274-816-2,70715-13-8,"Oleic acid, compound with (Z)-N,N-dimethyloctadec-9-enylamine (1:1)","octadec-9-enoic acid - N,N-dimethyloctadec-9-en-1-amine (1:1)",CCCCCCCC\\C=C/CCCCCCCCN(C)C.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCC\C=C/CCCCCCCCN(C)C.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C20H41N.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,4-10,13-20H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C20H41N.C18H34O2,,,,,,RQPVLZDUSMVKJH-RNCLGPNQSA-N,,,,,,,,,,,
100.067.995,274-817-8,70715-14-9,"Oleic acid, compound with N-[3-(dimethylamino)propyl]oleamide (1:1)",octadec-9-enoic acid - N-[3-(dimethylamino)propyl]octadec-9-enamide (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCN(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCCCCC\C=C/CCCCCCCC(=O)NCCCN(C)C,"InChI=1/C23H46N2O.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,4-10,13-22H2,1-3H3,(H,24,26);9-10H,2-8,11-17H2,1H3,(H,19,20)",C23H46N2O.C18H34O2,,,,,,XLAFVLJQVVZACK-RNCLGPNQSA-N,,,,,,,,,,,
100.067.997,274-819-9,70715-18-3,"4,4'-(propane-1,3-diyl)bis(piperidine-1-carboxamide)","4,4'-propane-1,3-diyldipiperidine-1-carboxamide",NC(=O)N1CCC(CCCC2CCN(CC2)C(=O)N)CC1,NC(=O)N1CCC(CCCC2CCN(CC2)C(=O)N)CC1,"InChI=1/C15H28N4O2/c16-14(20)18-8-4-12(5-9-18)2-1-3-13-6-10-19(11-7-13)15(17)21/h12-13H,1-11H2,(H2,16,20)(H2,17,21)",C15H28N4O2,,,,,,CCWJQXMSRPVJPF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.250,276-197-4,71929-27-6,Tris(2-hydroxyethyl)ammonium thymol-6-sulphonate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 4-hydroxy-5-isopropyl-2-methylbenzenesulfonate",CC(C)c1cc(c(C)cc1O)S(=O)(=O)[O-].OCC[NH+](CCO)CCO,CC(C)c1cc(c(C)cc1O)S(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C10H14O4S.C6H15NO3/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;8-4-1-7(2-5-9)3-6-10/h4-6,11H,1-3H3,(H,12,13,14);8-10H,1-6H2",C10H14O4S.C6H15NO3,,,,,,KFNKAQCAAWTNRD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.267,276-217-1,71964-98-2,"Acetophenone, tetrachloro derivative","1-(2,3,4,5-tetrachlorophenyl)ethanone",CC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,CC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,"InChI=1/C8H4Cl4O/c1-3(13)4-2-5(9)7(11)8(12)6(4)10/h2H,1H3",C8H4Cl4O,,,,,,KTQMWTSWKPBZDP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.269,276-219-2,71965-00-9,Titanium tetrakis(4-methylpentanolate),titanium tetrakis(4-methylpentanolate),[Ti+2].[Ti+2].CC(C)CCC[O-].CC(C)CCC[O-].CC(C)CCC[O-].CC(C)CCC[O-],[Ti+2].[Ti+2].CC(C)CCC[O-].CC(C)CCC[O-].CC(C)CCC[O-].CC(C)CCC[O-],"InChI=1/4C6H13O.2Ti/c4*1-6(2)4-3-5-7;;/h4*6H,3-5H2,1-2H3;;/q4*-1;2*+2",C6H14O.1/4Ti,,,,,,OMVUSYFLAQYVDD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.272,276-222-9,71965-03-2,Titanium methylcyclohexan-1-olate (1:4),titanium(2+) bis(1-methylcyclohexanolate),[Ti+2].CC1([O-])CCCCC1.CC2([O-])CCCCC2,[Ti+2].CC1([O-])CCCCC1.CC2([O-])CCCCC2,"InChI=1/2C7H13O.Ti/c2*1-7(8)5-3-2-4-6-7;/h2*2-6H2,1H3;/q2*-1;+2",C7H14O.1/4Ti,,,,,,KVAYXDHYXUBARU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.276,276-227-6,71965-07-6,2-phenylethyl trichloroacetate,2-phenylethyl trichloroacetate,ClC(Cl)(Cl)C(=O)OCCc1ccccc1,ClC(Cl)(Cl)C(=O)OCCc1ccccc1,"InChI=1/C10H9Cl3O2/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",C10H9Cl3O2,,,,,,ZIOAZUXFQCBCKA-UHFFFAOYSA-N,,,,,,,,,,,
100.069.277,276-228-1,71965-08-7,"5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one","5-amino-1-(2,4,6-trichlorophenyl)-1,2-dihydro-3H-pyrazol-3-one",NC1=CC(=O)NN1c2c(Cl)cc(Cl)cc2Cl,NC1=CC(=O)NN1c2c(Cl)cc(Cl)cc2Cl,"InChI=1/C9H6Cl3N3O/c10-4-1-5(11)9(6(12)2-4)15-7(13)3-8(16)14-15/h1-3H,13H2,(H,14,16)",C9H6Cl3N3O,,,,,,XLJJLUWNBBYUOI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.908,271-420-1,68555-29-3,4-methyl-6-phenylhex-3-enenitrile,4-methyl-6-phenylhex-3-enenitrile,CC(CCc1ccccc1)=CCC#N,CC(CCc1ccccc1)=CCC#N,"InChI=1/C13H15N/c1-12(6-5-11-14)9-10-13-7-3-2-4-8-13/h2-4,6-8H,5,9-10H2,1H3",C13H15N,,,,,,XVXZMGMMEQKDRK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.911,271-423-8,68555-32-8,3-(heptyloxy)-2-oxobutyraldehyde,3-(heptyloxy)-2-oxobutanal,CCCCCCCOC(C)C(=O)C=O,CCCCCCCOC(C)C(=O)C=O,"InChI=1/C11H20O3/c1-3-4-5-6-7-8-14-10(2)11(13)9-12/h9-10H,3-8H2,1-2H3",C11H20O3,,,,,,IBBSMXUZKRPJRG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.154,299-216-8,93857-83-1,"Ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate","2-({3-allyl-5-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium ethyl sulfate",[O-]S(=O)(=O)OCC.CCN5/C=C\\C(=CC=C3SC(=Cc2oc1cc(C)c(C)cc1[n+]2CC)N(CC=C)C3=O)c4ccccc45,[O-]S(=O)(=O)OCC.CCN5/C=C\C(=CC=C3SC(=Cc2oc1cc(C)c(C)cc1[n+]2CC)N(CC=C)C3=O)c4ccccc45,"InChI=1/C31H32N3O2S.C2H6O4S/c1-6-16-34-30(20-29-33(8-3)26-18-21(4)22(5)19-27(26)36-29)37-28(31(34)35)14-13-23-15-17-32(7-2)25-12-10-9-11-24(23)25;1-2-6-7(3,4)5/h6,9-15,17-20H,1,7-8,16H2,2-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C31H32N3O2S.C2H5O4S,,,,,,QOOKWYZFPLVVRK-UHFFFAOYSA-M,,,,,,,,,,,
100.090.156,299-218-9,93857-85-3,"3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium","4-[2-({3-allyl-5-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium-2-yl}methylene)-4,5-diphenyl-1,3-thiazol-3(2H)-yl]butane-1-sulfonate",[O-]S(=O)(=O)CCCCN3C(S/C(c1ccccc1)=C3/c2ccccc2)=CC=6SC(=CC=C5\\C=C/N(CC)c4ccccc45)C(=O)[N+]=6CC=C,[O-]S(=O)(=O)CCCCN3C(S/C(c1ccccc1)=C3/c2ccccc2)=CC=6SC(=CC=C5\C=C/N(CC)c4ccccc45)C(=O)[N+]=6CC=C,"InChI=1/C39H37N3O4S3/c1-3-24-42-36(47-34(39(42)43)22-21-29-23-26-40(4-2)33-20-12-11-19-32(29)33)28-35-41(25-13-14-27-49(44,45)46)37(30-15-7-5-8-16-30)38(48-35)31-17-9-6-10-18-31/h3,5-12,15-23,26,28H,1,4,13-14,24-25,27H2,2H3",C39H37N3O4S3,,,,,,NGFPKWMJFUXGDD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.157,299-219-4,93857-86-4,"2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-3-ethyl-5-[(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxothiazolium","4-[2-({3-ethyl-5-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium-2-yl}methylene)-4,5-diphenyl-1,3-thiazol-3(2H)-yl]butane-1-sulfonate",[O-]S(=O)(=O)CCCCN3C(S/C(c1ccccc1)=C3/c2ccccc2)=CC=6SC(=CC=C5\\C=C/N(CC)c4ccccc45)C(=O)[N+]=6CC,[O-]S(=O)(=O)CCCCN3C(S/C(c1ccccc1)=C3/c2ccccc2)=CC=6SC(=CC=C5\C=C/N(CC)c4ccccc45)C(=O)[N+]=6CC,"InChI=1/C38H37N3O4S3/c1-3-39-25-23-28(31-19-11-12-20-32(31)39)21-22-33-38(42)40(4-2)34(46-33)27-35-41(24-13-14-26-48(43,44)45)36(29-15-7-5-8-16-29)37(47-35)30-17-9-6-10-18-30/h5-12,15-23,25,27H,3-4,13-14,24,26H2,1-2H3",C38H37N3O4S3,,,,,,OVDBZLXPSPWOBD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.158,299-221-5,93857-87-5,2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium iodide,"2-({3-allyl-5-[2-(1-methylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium iodide",[I-].CN6/C=C\\C(=CC=C4SC(=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC=C)C4=O)c5ccccc56,[I-].CN6/C=C\C(=CC=C4SC(=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC=C)C4=O)c5ccccc56,"InChI=1/C34H30N3O2S.HI/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;/h4,6-19,21-23H,1,5,20H2,2-3H3;1H/q+1;/p-1",C34H30N3O2S.I,,,,,,IMMUPIPHJAXEOB-UHFFFAOYSA-M,,,,,,,,,,,
100.090.159,299-222-0,93857-88-6,3-methyl-5-[1-methyl-2-(1-methylpyrrolidin-2-ylidene)ethylidene]rhodanine,"3-methyl-5-[1-methyl-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",O=C1C(SC(=S)N1C)=C(C)C=C2CCCN2C,O=C1C(SC(=S)N1C)=C(C)C=C2CCCN2C,"InChI=1/C12H16N2OS2/c1-8(7-9-5-4-6-13(9)2)10-11(15)14(3)12(16)17-10/h7H,4-6H2,1-3H3",C12H16N2OS2,,,,,,IYSUEATZWRPJFI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.161,299-224-1,93857-90-0,3-chloro-5-fluorotoluene,1-chloro-3-fluoro-5-methylbenzene,Cc1cc(F)cc(Cl)c1,Cc1cc(F)cc(Cl)c1,"InChI=1/C7H6ClF/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3",C7H6ClF,,,,,,FKHVWXNPDWQSIT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.163,299-226-2,93857-92-2,3-cyclohexylpropyl isovalerate,3-cyclohexylpropyl 3-methylbutanoate,CC(C)CC(=O)OCCCC1CCCCC1,CC(C)CC(=O)OCCCC1CCCCC1,"InChI=1/C14H26O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h12-13H,3-11H2,1-2H3",C14H26O2,,,,,,UBRSOJDKMYAROK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.164,299-227-8,93857-93-3,"3,7-dimethyloctyl valerate","3,7-dimethyloctyl valerate",CCCCC(=O)OCCC(C)CCCC(C)C,CCCCC(=O)OCCC(C)CCCC(C)C,"InChI=1/C15H30O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h13-14H,5-12H2,1-4H3",C15H30O2,,,,,,LMPYVHIIYCATHK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.167,299-230-4,93857-96-6,Octacosyl methacrylate,octacosyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C32H62O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-32(33)31(2)3/h2,4-30H2,1,3H3",C32H62O2,,,,,,DOSZZJGMUXDZAK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.171,299-235-1,93858-00-5,Hexatriacontyl methacrylate,hexatriacontyl methacrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C40H78O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-40(41)39(2)3/h2,4-38H2,1,3H3",C40H78O2,,,,,,OAYMNBMXGBFHKX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.177,299-241-4,93858-07-2,"2-[2-[(2,3-dihydro-3-oxo-1H-indazol-6-yl)amino]-2-oxoethyl]icosenoic acid","2-{2-oxo-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]ethyl}icos-2-enoic acid",OC(=O)C(=CCCCCCCCCCCCCCCCCC)CC(=O)Nc1ccc2c(c1)NNC2=O,OC(=O)C(=CCCCCCCCCCCCCCCCCC)CC(=O)Nc1ccc2c(c1)NNC2=O,"InChI=1/C29H45N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(29(35)36)21-27(33)30-24-19-20-25-26(22-24)31-32-28(25)34/h18-20,22H,2-17,21H2,1H3,(H,30,33)(H,35,36)(H2,31,32,34)",C29H45N3O4,,,,,,YOUFRENTDYZIRO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.810,274-614-4,70458-96-7,Norfloxacin,"1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid",CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3,"InChI=1/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",C16H18FN3O3,,,,,,OGJPXUAPXNRGGI-UHFFFAOYSA-N,Positive/Negative,mzcloud:1103,[M+H]+;[M+Na]+,HCD_Averaged,302.1299:276.1507:256.14442:233.1085:203.06152:205.07717,HighChem,mzcloud:1103,[M+FA-H]+;[M-H]-,HCD_Averaged,290.09462:274.1361:259.11262:246.10481:208.0779:170.06115:189.0470,HighChem
100.067.812,274-617-0,70473-30-2,"(E)-1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene","1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene",COCOC\\C=C(/C)\\CCC=C(C)C,COCOC\C=C(/C)\CCC=C(C)C,"InChI=1/C12H22O2/c1-11(2)6-5-7-12(3)8-9-14-10-13-4/h6,8H,5,7,9-10H2,1-4H3",C12H22O2,,,,,,SAKWOVITFRSKER-XYOKQWHBSA-N,,,,,,,,,,,
100.067.814,274-619-1,70476-82-3,"1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthraquinone dihydrochloride","1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthraquinone dihydrochloride",Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,"InChI=1/C22H28N4O6.2ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;;/h1-4,23-30H,5-12H2;2*1H",C22H28N4O6.2ClH,,,,,,ZAHQPTJLOCWVPG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.820,274-625-4,70495-37-3,Ammonium 2-ethylhexyl sulphate,ammonium 2-ethylhexyl sulfate,[NH4+].CCCCC(CC)COS(=O)(=O)[O-],[NH4+].CCCCC(CC)COS(=O)(=O)[O-],"InChI=1/C8H18O4S.H3N/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);1H3",C8H18O4S.H3N,,,,,,ZJSHKBMGBWALPK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.834,274-641-1,70516-41-5,"2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CCC(C)C)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,CCN(CCC(C)C)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3",C34H34N2O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13765,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.834,HUSIBQLZEMMTCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.836,274-643-2,70521-70-9,N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-ß-alanine,N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alanine,CCCCCCCCCCC(O)CN(CCO)CCC(=O)O,CCCCCCCCCCC(O)CN(CCO)CCC(=O)O,"InChI=1/C17H35NO4/c1-2-3-4-5-6-7-8-9-10-16(20)15-18(13-14-19)12-11-17(21)22/h16,19-20H,2-15H2,1H3,(H,21,22)",C17H35NO4,,,,,,OKVWJOUKDKKXQG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.839,274-646-9,70521-73-2,N-(2-hydroxyethyl)-N-(2-hydroxyoctadecyl)-ß-alanine,N-(2-hydroxyethyl)-N-(2-hydroxyoctadecyl)-beta-alanine,CCCCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)O,CCCCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)O,"InChI=1/C23H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)21-24(19-20-25)18-17-23(27)28/h22,25-26H,2-21H2,1H3,(H,27,28)",C23H47NO4,,,,,,FQTHQAYXTJLXFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.843,274-651-6,70521-77-6,Sodium N-(2-hydroxyethyl)-N-(2-hydroxyoctadecyl)-ß-alaninate,sodium 3-[(2-hydroxyethyl)(2-hydroxyoctadecyl)amino]propanoate,[Na+].CCCCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-],"InChI=1/C23H47NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)21-24(19-20-25)18-17-23(27)28;/h22,25-26H,2-21H2,1H3,(H,27,28);/q;+1/p-1",C23H47NO4.Na,,,,,,VCNGKCSMBXFILF-UHFFFAOYSA-M,,,,,,,,,,,
100.069.971,276-992-6,72906-18-4,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium chloride","2-[(4-methoxyphenyl)(methyl)carbonohydrazonoyl]-1,3,3-trimethyl-5-nitro-3H-indolium chloride",[Cl-].COc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,[Cl-].COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,"InChI=1/C20H23N4O3.ClH/c1-20(2)17-12-15(24(25)26)8-11-18(17)22(3)19(20)13-21-23(4)14-6-9-16(27-5)10-7-14;/h6-13H,1-5H3;1H/q+1;/p-1",C20H23N4O3.Cl,,,,,,HBKPYYFAMNLTQF-UHFFFAOYSA-M,,,,,,,,,,,
100.069.972,276-993-1,72906-25-3,"Tetrasodium 3,3'-[(4-methyl-1,2-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(acetylamino)-5-methoxy-4,1-phenylene]azo]]bisnaphthalene-1,5-disulphonate","tetrasodium 3,3'-{(4-methyl-1,2-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-acetamido-5-methoxy-4,1-phenylene)diazene-2,1-diyl]}dinaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9cccc1c9cc(cc1S([O-])(=O)=O)N=Nc2cc(OC)c(cc2NC(C)=O)Nc3nc(nc(Cl)n3)Nc8ccc(C)cc8Nc7nc(Nc6cc(NC(C)=O)c(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)nc(Cl)n7,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9cccc1c9cc(cc1S([O-])(=O)=O)N=Nc2cc(OC)c(cc2NC(C)=O)Nc3nc(nc(Cl)n3)Nc8ccc(C)cc8Nc7nc(Nc6cc(NC(C)=O)c(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)nc(Cl)n7,"InChI=1/C51H42Cl2N16O16S4.4Na/c1-23-12-13-32(56-48-60-46(52)62-50(64-48)58-38-19-34(54-24(2)70)36(21-40(38)84-4)68-66-26-15-30-28(44(17-26)88(78,79)80)8-6-10-42(30)86(72,73)74)33(14-23)57-49-61-47(53)63-51(65-49)59-39-20-35(55-25(3)71)37(22-41(39)85-5)69-67-27-16-31-29(45(18-27)89(81,82)83)9-7-11-43(31)87(75,76)77;;;;/h6-22H,1-5H3,(H,54,70)(H,55,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;/q;4*+1/p-4",C51H42Cl2N16O16S4.4Na,,,,,,JKXPVKKQHQTRBS-UHFFFAOYSA-J,,,,,,,,,,,
100.069.973,276-994-7,72906-26-4,"4,11-diamino-2-(3-ethoxypropyl)-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone","4,11-diamino-2-(3-ethoxypropyl)-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone",CCOCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,CCOCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O,"InChI=1/C21H19N3O5/c1-2-29-9-5-8-24-20(27)14-15(21(24)28)17(23)13-12(16(14)22)18(25)10-6-3-4-7-11(10)19(13)26/h3-4,6-7H,2,5,8-9,22-23H2,1H3",C21H19N3O5,,,,,,XWSOHSMPVBUXMC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.517,299-615-7,93893-27-7,"(Z)-N,N-dibutyl-1-(octadec-9-enyl)-5-oxopyrrolidine-3-carboxamide","N,N-dibutyl-1-octadec-9-en-1-yl-5-oxopyrrolidine-3-carboxamide",CCCCCCCC\\C=C/CCCCCCCCN1CC(CC1=O)C(=O)N(CCCC)CCCC,CCCCCCCC\C=C/CCCCCCCCN1CC(CC1=O)C(=O)N(CCCC)CCCC,"InChI=1/C31H58N2O2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-28-29(27-30(33)34)31(35)32(24-8-5-2)25-9-6-3/h15-16,29H,4-14,17-28H2,1-3H3",C31H58N2O2,,,,,,RLCHJSBXBCJULN-NXVVXOECSA-N,,,,,,,,,,,
100.092.557,301-858-1,94086-69-8,4-acetyl-N-octadecylbenzamide,4-acetyl-N-octadecylbenzamide,CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)C,CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)C,"InChI=1/C27H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-27(30)26-21-19-25(20-22-26)24(2)29/h19-22H,3-18,23H2,1-2H3,(H,28,30)",C27H45NO2,,,,,,LUQUURAOAYAMAU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.561,301-862-3,94086-73-4,"Cinnamic acid, compound with 2-aminobutan-1-ol (1:1)",3-phenylacrylic acid - 2-aminobutan-1-ol (1:1),CCC(N)CO.OC(=O)\\C=C\\c1ccccc1,CCC(N)CO.OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.C4H11NO/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-4(5)3-6/h1-7H,(H,10,11);4,6H,2-3,5H2,1H3",C9H8O2.C4H11NO,,,,,,XFVRXVHEUUTSLM-UHDJGPCESA-N,,,,,,,,,,,
100.092.564,301-866-5,94086-76-7,Isopropyl 4-(4-nitrophenyl)butyrate,isopropyl 4-(4-nitrophenyl)butanoate,CC(C)OC(=O)CCCc1ccc(cc1)[N+](=O)[O-],CC(C)OC(=O)CCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C13H17NO4/c1-10(2)18-13(15)5-3-4-11-6-8-12(9-7-11)14(16)17/h6-10H,3-5H2,1-2H3",C13H17NO4,,,,,,WQUVMYDZSHRUNH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.566,301-868-6,94086-78-9,"Isopropyl 4-[4-[N,N-bis(2-hydroxyethyl)amino]phenyl]butyrate",isopropyl 4-{4-[bis(2-hydroxyethyl)amino]phenyl}butanoate,CC(C)OC(=O)CCCc1ccc(cc1)N(CCO)CCO,CC(C)OC(=O)CCCc1ccc(cc1)N(CCO)CCO,"InChI=1/C17H27NO4/c1-14(2)22-17(21)5-3-4-15-6-8-16(9-7-15)18(10-12-19)11-13-20/h6-9,14,19-20H,3-5,10-13H2,1-2H3",C17H27NO4,,,,,,QDRCRYJKFQEJNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.568,301-870-7,94086-80-3,Diethyl[2-hydroxy-3-(tetradecyloxy)propyl)[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"N,N-diethyl-2-hydroxy-N-[2-(methacryloyloxy)ethyl]-3-(tetradecyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CCOC(=O)C(=C)C,[Cl-].CCCCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CCOC(=O)C(=C)C,"InChI=1/C27H54NO4.ClH/c1-6-9-10-11-12-13-14-15-16-17-18-19-21-31-24-26(29)23-28(7-2,8-3)20-22-32-27(30)25(4)5;/h26,29H,4,6-24H2,1-3,5H3;1H/q+1;/p-1",C27H54NO4.Cl,,,,,,MWDVKZPXJYZJAK-UHFFFAOYSA-M,,,,,,,,,,,
100.092.574,301-877-5,94086-86-9,"1,5-diamino-4-hydroxy-8-(methylamino)anthraquinone","1,5-diamino-4-hydroxy-8-(methylamino)-9,10-anthraquinone",CNc1ccc(N)c2C(=O)c3c(O)ccc(N)c3C(=O)c12,CNc1ccc(N)c2C(=O)c3c(O)ccc(N)c3C(=O)c12,"InChI=1/C15H13N3O3/c1-18-8-4-2-6(16)10-12(8)14(20)11-7(17)3-5-9(19)13(11)15(10)21/h2-5,18-19H,16-17H2,1H3",C15H13N3O3,,,,,,GILFHASBSONWCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.575,301-878-0,94086-87-0,m-[(3-amino-4-hydroxyphenyl)azo]benzenesulphonic acid,3-[(3-amino-4-hydroxyphenyl)diazenyl]benzenesulfonic acid,Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)ccc2O,Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)ccc2O,"InChI=1/C12H11N3O4S/c13-11-7-9(4-5-12(11)16)15-14-8-2-1-3-10(6-8)20(17,18)19/h1-7,16H,13H2,(H,17,18,19)",C12H11N3O4S,,,,,,KAIXUKQIBZNQND-UHFFFAOYSA-N,,,,,,,,,,,
100.092.576,301-879-6,94086-88-1,"3-[[3-[(2,4-dihydroxyphenyl)azo]-4-hydroxyphenyl]azo]benzenesulphonic acid","3-({3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxyphenyl}diazenyl)benzenesulfonic acid",Oc3cc(O)ccc3N=Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)ccc2O,Oc3cc(O)ccc3N=Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)ccc2O,"InChI=1/C18H14N4O6S/c23-13-5-6-15(18(25)10-13)21-22-16-9-12(4-7-17(16)24)20-19-11-2-1-3-14(8-11)29(26,27)28/h1-10,23-25H,(H,26,27,28)",C18H14N4O6S,,,,,,NBCDLQXSUBYGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.581,301-884-3,94086-93-8,Trimethyl[2-[(2-methyl-1-oxoallyl)oxy]propyl]ammonium chloride,"2-(methacryloyloxy)-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CC(C[N+](C)(C)C)OC(=O)C(=C)C,[Cl-].CC(C[N+](C)(C)C)OC(=O)C(=C)C,"InChI=1/C10H20NO2.ClH/c1-8(2)10(12)13-9(3)7-11(4,5)6;/h9H,1,7H2,2-6H3;1H/q+1;/p-1",C10H20NO2.Cl,,,,,,XWLGOKLOJJIUDA-UHFFFAOYSA-M,,,,,,,,,,,
100.092.584,301-888-5,94086-97-2,Benzyldimethyl[methyl-2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"N-benzyl-1-(methacryloyloxy)-N,N-dimethylpropan-2-aminium chloride",[Cl-].CC(COC(=O)C(=C)C)[N+](C)(C)Cc1ccccc1,[Cl-].CC(COC(=O)C(=C)C)[N+](C)(C)Cc1ccccc1,"InChI=1/C16H24NO2.ClH/c1-13(2)16(18)19-12-14(3)17(4,5)11-15-9-7-6-8-10-15;/h6-10,14H,1,11-12H2,2-5H3;1H/q+1;/p-1",C16H24NO2.Cl,,,,,,QFAMIUUOKOEDJN-UHFFFAOYSA-M,,,,,,,,,,,
100.092.587,301-891-1,94087-00-0,"[(9,10-dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino]benzenesulphonic acid","2-[(1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)amino]benzenesulfonic acid",Oc1cc(Nc2ccccc2S(=O)(=O)O)c(O)c3C(=O)c4ccccc4C(=O)c13,Oc1cc(Nc2ccccc2S(=O)(=O)O)c(O)c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C20H13NO7S/c22-14-9-13(21-12-7-3-4-8-15(12)29(26,27)28)20(25)17-16(14)18(23)10-5-1-2-6-11(10)19(17)24/h1-9,21-22,25H,(H,26,27,28)",C20H13NO7S,,,,,,WEFQTBBVPISSDD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.917,271-430-6,68555-54-4,"1,1'-[ethylenebis(thio-2,1-phenylene)]bis-1H-pyrrole-2,5-dione","1,1'-[ethane-1,2-diylbis(sulfanediyl-2,1-phenylene)]bis(1H-pyrrole-2,5-dione)",O=C1C=CC(=O)N1c2ccccc2SCCSc3ccccc3N4C(=O)C=CC4=O,O=C1C=CC(=O)N1c2ccccc2SCCSc3ccccc3N4C(=O)C=CC4=O,"InChI=1/C22H16N2O4S2/c25-19-9-10-20(26)23(19)15-5-1-3-7-17(15)29-13-14-30-18-8-4-2-6-16(18)24-21(27)11-12-22(24)28/h1-12H,13-14H2",C22H16N2O4S2,,,,,,IMRULEJVIHQQKE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.920,271-433-2,68555-57-7,"3,7-dimethyloct-6-enyl 2-aminobenzoate","3,7-dimethyloct-6-en-1-yl 2-aminobenzoate",CC(CCOC(=O)c1ccccc1N)CCC=C(C)C,CC(CCOC(=O)c1ccccc1N)CCC=C(C)C,"InChI=1/C17H25NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-10,14H,6,8,11-12,18H2,1-3H3",C17H25NO2,,,,,,LSJVFMHIFWWGDY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.924,271-437-4,68555-61-3,"1,2-dimethyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)propen-1-yl acetate","1,2-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-1-en-1-yl acetate",C\\C1=C\\CCC(C)(C)C1CC(C)=C(C)OC(C)=O,C\C1=C\CCC(C)(C)C1CC(C)=C(C)OC(C)=O,"InChI=1/C16H26O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h8,15H,7,9-10H2,1-6H3",C16H26O2,,,,,,KLORMDDJTXHNGX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.434,268-698-1,68133-70-0,"1,5-dihydroxy-4-[(2-hydroxyethyl)amino]-8-(phenylamino)anthraquinone","1-anilino-4,8-dihydroxy-5-[(2-hydroxyethyl)amino]-9,10-anthraquinone",OCCNc1ccc(O)c2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)c12,OCCNc1ccc(O)c2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)c12,"InChI=1/C22H18N2O5/c25-11-10-23-13-6-8-15(26)19-17(13)21(28)20-16(27)9-7-14(18(20)22(19)29)24-12-4-2-1-3-5-12/h1-9,23-27H,10-11H2",C22H18N2O5,,,,,,NGNAFXRFKWRTKB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.439,268-703-7,68133-76-6,(Z)-hex-3-enyl pyruvate,hex-3-en-1-yl 2-oxopropanoate,CC\\C=C/CCOC(=O)C(=O)C,CC\C=C/CCOC(=O)C(=O)C,"InChI=1/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3",C9H14O3,,,,,,LKNXTZXOBHAYSR-PLNGDYQASA-N,,,,,,,,,,,
100.062.452,268-717-3,68133-90-4,"Dihydrogen hexahydroxyplatinate, compound with 2-aminoethanol (1:2)",dihydrogen hexahydroxyplatinate(2-) - 2-aminoethanol (1:2),NCCO.NCCO.O[Pt-2](O)(O)(O)(O)O,NCCO.NCCO.O[Pt-2](O)(O)(O)(O)O,"InChI=1/2C2H7NO.6H2O.Pt/c2*3-1-2-4;;;;;;;/h2*4H,1-3H2;6*1H2;/q;;;;;;;;+4/p-6/r2C2H7NO.H6O6Pt/c2*3-1-2-4;1-7(2,3,4,5)6/h2*4H,1-3H2;1-6H/q;;-2",C2H7NO.1/2H6O6Pt.H,,,,,,MUXAIIZNFGJLPA-UHFFFAOYSA-H,,,,,,,,,,,
100.069.285,276-237-0,71965-16-7,Titanium tetra(tridecan-1-olate),titanium tetra(tridecan-1-olate),[Ti+2].[Ti+2].CCCCCCCCCCCCC[O-].CCCCCCCCCCCCC[O-].CCCCCCCCCCCCC[O-].CCCCCCCCCCCCC[O-],[Ti+2].[Ti+2].CCCCCCCCCCCCC[O-].CCCCCCCCCCCCC[O-].CCCCCCCCCCCCC[O-].CCCCCCCCCCCCC[O-],"InChI=1/4C13H27O.2Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14;;/h4*2-13H2,1H3;;/q4*-1;2*+2",C13H28O.1/4Ti,,,,,,GBIVNZGPICSZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.287,276-239-1,71965-20-3,"2,4-dibutyl-6-ethylphenol","2,4-dibutyl-6-ethylphenol",CCCCc1cc(CC)c(O)c(CCCC)c1,CCCCc1cc(CC)c(O)c(CCCC)c1,"InChI=1/C16H26O/c1-4-7-9-13-11-14(6-3)16(17)15(12-13)10-8-5-2/h11-12,17H,4-10H2,1-3H3",C16H26O,,,,,,DEOKRBNRSCUFEP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.289,276-241-2,71965-22-5,"1,2,3,6-tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid","2,6-dioxo-1,2,3,6-tetrahydro-9H-purine-9-carboxylic acid",OC(=O)n1cnc2C(=O)NC(=O)Nc12,OC(=O)n1cnc2C(=O)NC(=O)Nc12,"InChI=1/C6H4N4O4/c11-4-2-3(8-5(12)9-4)10(1-7-2)6(13)14/h1H,(H,13,14)(H2,8,9,11,12)",C6H4N4O4,,,,,,WKBPMGCUQROFFD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.296,276-249-6,71982-41-7,"2-(1,1-dimethylethyl)-4-[[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]thio]-5-methylphenyl 3-(tetradecylthio)propionate",2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl]-5-methylphenyl 3-(tetradecylsulfanyl)propanoate,CCCCCCCCCCCCCCSCCC(=O)Oc1cc(C)c(Sc2cc(c(O)cc2C)C(C)(C)C)cc1C(C)(C)C,CCCCCCCCCCCCCCSCCC(=O)Oc1cc(C)c(Sc2cc(c(O)cc2C)C(C)(C)C)cc1C(C)(C)C,"InChI=1/C39H62O3S2/c1-10-11-12-13-14-15-16-17-18-19-20-21-23-43-24-22-37(41)42-34-26-30(3)36(28-32(34)39(7,8)9)44-35-27-31(38(4,5)6)33(40)25-29(35)2/h25-28,40H,10-24H2,1-9H3",C39H62O3S2,,,,,,KZGUOWQZNAJJOW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.307,276-261-1,71989-35-0,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-isopropyl-L-threonine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-isopropyl-L-threonine,CC(C)OC(C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CC(C)OC(C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C22H25NO5/c1-13(2)28-14(3)20(21(24)25)23-22(26)27-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,13-14,19-20H,12H2,1-3H3,(H,23,26)(H,24,25)",C23H27NO5,,,,,,XNZOLOOOHPFSGH-LGTGAQBVSA-N,,,,,,,,,,,
100.069.314,276-269-5,71989-95-2,"4-formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate","4-formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate",COc1cc(C=O)ccc1OC(=O)c2cc(OC)c(OC)c(OC)c2,COc1cc(C=O)ccc1OC(=O)c2cc(OC)c(OC)c(OC)c2,"InChI=1/C18H18O7/c1-21-14-7-11(10-19)5-6-13(14)25-18(20)12-8-15(22-2)17(24-4)16(9-12)23-3/h5-10H,1-4H3",C18H18O7,,,,,,HVTQNCJLDBFXOU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.315,276-270-0,71989-96-3,"2,3,4-trimethoxybenzyl alcohol","(2,3,4-trimethoxyphenyl)methanol",COc1ccc(CO)c(OC)c1OC,COc1ccc(CO)c(OC)c1OC,"InChI=1/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3",C10H14O4,,,,,,DGJVVEVPKPOLEV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.052,301-303-3,93983-15-4,"6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine hydrobromide","6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide",Br.COc1ccc(cc1)C2CNCCc3c(Cl)c(OC)c(OC)cc23,Br.COc1ccc(cc1)C2CNCCc3c(Cl)c(OC)c(OC)cc23,"InChI=1/C19H22ClNO3.BrH/c1-22-13-6-4-12(5-7-13)16-11-21-9-8-14-15(16)10-17(23-2)19(24-3)18(14)20;/h4-7,10,16,21H,8-9,11H2,1-3H3;1H",C19H22ClNO3.BrH,,,,,,NTSMVPIGNCFMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.062,301-314-3,93983-25-6,"Tripotassium pentahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","tripotassium pentahydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.3K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;/q;3*+1/p-8",C6H20N2O12P4.3K,,,,,,ORXNGOVUDPGXGK-UHFFFAOYSA-F,,,,,,,,,,,
100.092.066,301-319-0,93983-64-3,[(1-oxoallyl)amino]dodecanesulphonic acid,1-(acryloylamino)dodecane-1-sulfonic acid,CCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)O,CCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)O,"InChI=1/C15H29NO4S/c1-3-5-6-7-8-9-10-11-12-13-15(21(18,19)20)16-14(17)4-2/h4,15H,2-3,5-13H2,1H3,(H,16,17)(H,18,19,20)",C15H29NO4S,,,,,,RIZVWYUZUZNNSD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.067,301-320-6,93983-65-4,Cadmium dimethylhexanoate,"cadmium bis(2,2-dimethylhexanoate)",[Cd+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],[Cd+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],"InChI=1/2C8H16O2.Cd/c2*1-4-5-6-8(2,3)7(9)10;/h2*4-6H2,1-3H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Cd,,,,,,HROVERDXELZCEW-UHFFFAOYSA-L,,,,,,,,,,,
100.092.075,301-329-5,93983-74-5,"(octahydro-4,7-methano-1H-indenyl)methyl butyrate","octahydro-1H-4,7-methanoinden-1-ylmethyl butyrate",CCCC(=O)OCC1CCC2C3CCC(C3)C12,CCCC(=O)OCC1CCC2C3CCC(C3)C12,"InChI=1/C15H24O2/c1-2-3-14(16)17-9-12-6-7-13-10-4-5-11(8-10)15(12)13/h10-13,15H,2-9H2,1H3",C15H24O2,,,,,,XTDIPJOCJZHMMU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.077,301-331-6,94005-95-5,"N-(2-ethoxyethyl)-N,N',N'-trimethylpropane-1,3-diamine","N-(2-ethoxyethyl)-N,N',N'-trimethylpropane-1,3-diamine",CCOCCN(C)CCCN(C)C,CCOCCN(C)CCCN(C)C,"InChI=1/C10H24N2O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h5-10H2,1-4H3",C10H24N2O,,,,,,WYLUZYJBGBMLFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.083,301-337-9,94006-01-6,(Z)-henicos-9-en-11-one,henicos-9-en-11-one,CCCCCCCCCCC(=O)\\C=C/CCCCCCCC,CCCCCCCCCCC(=O)\C=C/CCCCCCCC,"InChI=1/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3",C21H40O,,,,,,KIIMLDAHZVVLHQ-ZPHPHTNESA-N,,,,,,,,,,,
100.092.084,301-338-4,94006-03-8,"2'-[(2-chlorophenyl)amino]-6'-(ethylhexylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-[(2-chlorophenyl)amino]-6'-[ethyl(hexyl)amino]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCCCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4Cl)cc3C25OC(=O)c6ccccc56)c1,CCCCCCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4Cl)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C34H33ClN2O3/c1-3-5-6-11-20-37(4-2)24-17-18-27-32(22-24)39-31-19-16-23(36-30-15-10-9-14-29(30)35)21-28(31)34(27)26-13-8-7-12-25(26)33(38)40-34/h7-10,12-19,21-22,36H,3-6,11,20H2,1-2H3",C34H33ClN2O3,,,,,,JIFFMKPNWQLWOW-UHFFFAOYSA-N,,,,,,,,,,,
100.088.979,297-923-6,93765-24-3,"2H-pyrido[3,2-b]-1,4-oxazin-3-amine","2H-pyrido[3,2-b][1,4]oxazin-3-amine",NC1=Nc2ncccc2OC1,NC1=Nc2ncccc2OC1,"InChI=1/C7H7N3O/c8-6-4-11-5-2-1-3-9-7(5)10-6/h1-3H,4H2,(H2,8,9,10)",C7H7N3O,,,,,,ZAUWLQGVFJGKDL-UHFFFAOYSA-N,,,,,,,,,,,
100.088.984,297-928-3,93776-03-5,"1,1'-[oxybis[(1-methylethylene)oxy]]bis[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-14-(trifluoromethyl)pentadecan-2-ol]","1,1'-[oxybis(propane-2,1-diyloxy)]bis[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-14-(trifluoromethyl)pentadecan-2-ol]",CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C38H24F54O5/c1-9(5-95-7-11(93)3-13(39,40)17(45,46)21(53,54)25(61,62)29(69,70)33(77,78)31(73,74)27(65,66)23(57,58)19(49,50)15(43,35(81,82)83)36(84,85)86)97-10(2)6-96-8-12(94)4-14(41,42)18(47,48)22(55,56)26(63,64)30(71,72)34(79,80)32(75,76)28(67,68)24(59,60)20(51,52)16(44,37(87,88)89)38(90,91)92/h9-12,93-94H,3-8H2,1-2H3",C38H24F54O5,,,,,,AFHRHKTUTFIHHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.088.986,297-930-4,93776-05-7,"1,1'-[oxybis(propyleneoxy)]bis[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol]","1,1'-[oxybis(propane-2,1-diyloxy)]bis[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol]",CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C30H24F38O5/c1-9(5-71-7-11(69)3-13(31,32)17(37,38)21(45,46)25(53,54)23(49,50)19(41,42)15(35,27(57,58)59)28(60,61)62)73-10(2)6-72-8-12(70)4-14(33,34)18(39,40)22(47,48)26(55,56)24(51,52)20(43,44)16(36,29(63,64)65)30(66,67)68/h9-12,69-70H,3-8H2,1-2H3",C30H24F38O5,,,,,,QIWKDYIRAPMRPM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.979,277-000-4,72906-38-8,"[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium methyl sulphate","2-(ethyl{4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium methyl sulfate",[O-]S(=O)(=O)OC.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,[O-]S(=O)(=O)OC.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,"InChI=1/C21H27N6S.CH4O4S/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-5-6(2,3)4/h6-14H,5,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C21H27N6S.CH3O4S,,,,,,WOLWFXHMSWQTTN-UHFFFAOYSA-M,,,,,,,,,,,
100.065.895,272-506-1,68856-26-8,5-tert-butoxy-m-xylene,"tert-butyl 3,5-dimethylphenyl ether",Cc1cc(C)cc(OC(C)(C)C)c1,Cc1cc(C)cc(OC(C)(C)C)c1,"InChI=1/C12H18O/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8H,1-5H3",C12H18O,,,,,,FOMVFPYJDBUIFD-UHFFFAOYSA-N,,,,,,,,,,,
100.065.897,272-508-2,68856-36-0,Choline 2-ethylhexanoate,"2-hydroxy-N,N,N-trimethylethanaminium 2-ethylhexanoate",CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO,CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO,"InChI=1/C8H16O2.C5H14NO/c1-3-5-6-7(4-2)8(9)10;1-6(2,3)4-5-7/h7H,3-6H2,1-2H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1",C8H15O2.C5H14NO,,,,,,XUZNXNABRSCKOA-UHFFFAOYSA-M,,,,,,,,,,,
100.065.903,272-515-0,68858-20-8,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-valine,CC(C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CC(C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)",C20H21NO4,,,,,,UGNIYGNGCNXHTR-SFHVURJKSA-N,,,,,,,,,,,
100.065.905,272-517-1,68860-51-5,"3-(dimethoxymethyl)-1,1-dimethoxypentane","3-(dimethoxymethyl)-1,1-dimethoxypentane",CCC(CC(OC)OC)C(OC)OC,CCC(CC(OC)OC)C(OC)OC,"InChI=1/C10H22O4/c1-6-8(10(13-4)14-5)7-9(11-2)12-3/h8-10H,6-7H2,1-5H3",C10H22O4,,,,,,SVZYBMYDBLEYPG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.629,274-415-2,70210-18-3,"Tetrasodium 2-[[4-chloro-6-[[3-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate","tetrasodium 2-{[4-chloro-6-({3-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]-4-sulfonatophenyl}amino)-1,3,5-triazin-2-yl]amino}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(c(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3)S([O-])(=O)=O)nc(Nc4cc(ccc4S([O-])(=O)=O)S([O-])(=O)=O)n5,[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(c(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3)S([O-])(=O)=O)nc(Nc4cc(ccc4S([O-])(=O)=O)S([O-])(=O)=O)n5,"InChI=1/C25H18ClN7O13S4.4Na/c26-23-29-24(31-25(30-23)28-16-10-13(47(35,36)37)6-8-19(16)48(38,39)40)27-12-5-7-20(49(41,42)43)17(9-12)32-33-18-11-21(50(44,45)46)14-3-1-2-4-15(14)22(18)34;;;;/h1-11,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,27,28,29,30,31);;;;/q;4*+1/p-4",C25H18ClN7O13S4.4Na,,,,,,RUQXOAJQMVMBDP-UHFFFAOYSA-J,,,,,,,,,,,
100.067.850,274-658-4,70528-89-1,"Tetrasodium 4-amino-6-[[5-[[4-[(3-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxy-3-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","tetrasodium 4-amino-6-{[5-({4-[(3-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-5-hydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc6c(cc5cc(c(N=Nc2cc(ccc2S([O-])(=O)=O)Nc4nc(F)nc(Nc3cc(Cl)ccc3)n4)c(O)c5c6N)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc6c(cc5cc(c(N=Nc2cc(ccc2S([O-])(=O)=O)Nc4nc(F)nc(Nc3cc(Cl)ccc3)n4)c(O)c5c6N)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C31H22ClFN10O13S4.4Na/c32-15-2-1-3-17(12-15)35-30-37-29(33)38-31(39-30)36-18-6-9-21(58(48,49)50)20(13-18)41-43-27-23(60(54,55)56)11-14-10-22(59(51,52)53)26(25(34)24(14)28(27)44)42-40-16-4-7-19(8-5-16)57(45,46)47;;;;/h1-13,44H,34H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,35,36,37,38,39);;;;/q;4*+1/p-4",C31H22ClFN10O13S4.4Na,,,,,,WZUCQNILFJNWEO-UHFFFAOYSA-J,,,,,,,,,,,
100.067.859,274-668-9,70546-25-7,3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile,"3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-4-carbonitrile",CCN(CC)c1ccc2C(=C(C(=O)Oc2c1)c3nc4ccccc4s3)C#N,CCN(CC)c1ccc2C(=C(C(=O)Oc2c1)c3nc4ccccc4s3)C#N,"InChI=1/C21H17N3O2S/c1-3-24(4-2)13-9-10-14-15(12-22)19(21(25)26-17(14)11-13)20-23-16-7-5-6-8-18(16)27-20/h5-11H,3-4H2,1-2H3",C21H17N3O2S,,,,,,NDKYYKABKLOOAP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.862,274-672-0,70564-06-6,"N2,4-dimethylpyridine-2,5-diamine","N~2~,4-dimethylpyridine-2,5-diamine",CNc1cc(C)c(N)cn1,CNc1cc(C)c(N)cn1,"InChI=1/C7H11N3/c1-5-3-7(9-2)10-4-6(5)8/h3-4H,8H2,1-2H3,(H,9,10)",C7H11N3,,,,,,HCCSLHHXPBFHAG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.588,301-892-7,94087-01-1,"5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracenedisulphonic acid","5-amino-8-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-1,2-disulfonic acid",Nc1ccc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)O)c4C(=O)c5c(ccc(c5S(=O)(=O)O)S(=O)(=O)O)C(=O)c14,Nc1ccc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)O)c4C(=O)c5c(ccc(c5S(=O)(=O)O)S(=O)(=O)O)C(=O)c14,"InChI=1/C23H14Cl2N6O11S3/c24-21-29-22(25)31-23(30-21)28-11-4-1-8(7-14(11)44(37,38)39)27-12-5-3-10(26)16-17(12)19(33)15-9(18(16)32)2-6-13(43(34,35)36)20(15)45(40,41)42/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31)",C23H14Cl2N6O11S3,,,,,,YRNUPSNVSKOQIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.589,301-894-8,94087-03-3,Sodium N-[2-[[2-hydroxyethyl]amino]ethyl]-N-(1-oxotetradecyl)glycinate,sodium [{2-[(2-hydroxyethyl)amino]ethyl}(tetradecanoyl)amino]acetate,[Na+].CCCCCCCCCCCCCC(=O)N(CCNCCO)CC(=O)[O-],[Na+].CCCCCCCCCCCCCC(=O)N(CCNCCO)CC(=O)[O-],"InChI=1/C20H40N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)22(18-20(25)26)16-14-21-15-17-23;/h21,23H,2-18H2,1H3,(H,25,26);/q;+1/p-1",C20H40N2O4.Na,,,,,,KJGKTVJIUNIWDM-UHFFFAOYSA-M,,,,,,,,,,,
100.092.590,301-895-3,94087-04-4,Sodium N-[2-[(2-hydroxyethyl)(1-oxododecyl)amino]ethyl]glycinate,sodium ({2-[dodecanoyl(2-hydroxyethyl)amino]ethyl}amino)acetate,[Na+].CCCCCCCCCCCC(=O)N(CCO)CCNCC(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N(CCO)CCNCC(=O)[O-],"InChI=1/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)20(14-15-21)13-12-19-16-18(23)24;/h19,21H,2-16H2,1H3,(H,23,24);/q;+1/p-1",C18H36N2O4.Na,,,,,,ONCSWUZFPLDPTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.536,299-636-1,93893-47-1,"5-oxo-L-proline, compound with ethylamine (1:1)",5-oxo-L-proline - ethanamine (1:1),CCN.OC(=O)[C@@H]1CCC(=O)N1,CCN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C2H7N/c7-4-2-1-3(6-4)5(8)9;1-2-3/h3H,1-2H2,(H,6,7)(H,8,9);2-3H2,1H3",C5H7NO3.C2H7N,,,,,,CJFSIPPQWVTMQH-DFWYDOINSA-N,,,,,,,,,,,
100.090.539,299-639-8,93893-50-6,"5-[bicyclo[2.2.1]hept-2-yl]-2,4-dimethylpentan-1-ol","5-bicyclo[2.2.1]hept-2-yl-2,4-dimethylpentan-1-ol",CC(CO)CC(C)CC1CC2CCC1C2,CC(CO)CC(C)CC1CC2CCC1C2,"InChI=1/C14H26O/c1-10(5-11(2)9-15)6-14-8-12-3-4-13(14)7-12/h10-15H,3-9H2,1-2H3",C14H26O,,,,,,NXSLAPIFKAOSKY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.610,301-918-7,94087-25-9,"2-[[(1,2-benzisothiazol-3-yloxy)methyl]butylamino]ethanol","2-{[(1,2-benzisothiazol-3-yloxy)methyl](butyl)amino}ethanol",CCCCN(CCO)COc1nsc2ccccc12,CCCCN(CCO)COc1nsc2ccccc12,"InChI=1/C14H20N2O2S/c1-2-3-8-16(9-10-17)11-18-14-12-6-4-5-7-13(12)19-15-14/h4-7,17H,2-3,8-11H2,1H3",C14H20N2O2S,,,,,,WEWBIJGRAIWBLG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.613,301-921-3,94087-28-2,"2-(1,2-benzisothiazol-3-yloxy)acetamide","2-(1,2-benzisothiazol-3-yloxy)acetamide",NC(=O)COc1nsc2ccccc12,NC(=O)COc1nsc2ccccc12,"InChI=1/C9H8N2O2S/c10-8(12)5-13-9-6-3-1-2-4-7(6)14-11-9/h1-4H,5H2,(H2,10,12)",C9H8N2O2S,,,,,,RVOTWSQZXVMKPD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.624,301-933-9,94087-39-5,Diethoxymethyl(2-phenylethyl)silane,(diethoxymethyl)(2-phenylethyl)silane,CCOC(OCC)[SiH2]CCc1ccccc1,CCOC(OCC)[SiH2]CCc1ccccc1,"InChI=1/C13H22O2Si/c1-3-14-13(15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3",C13H22O2Si,,,,,,FKYKHRBVWSYIQV-UHFFFAOYSA-N,,,,,,,,,,,
100.086.842,295-570-2,92112-69-1,"Hexane, branched and linear",hexane,CCCCCC,CCCCCC,"InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",-,,,,,,VLKZOEOYAKHREP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.573,299-677-5,93893-84-6,"1-[3-(allyloxy)-2-hydroxypropyl]-1,3-dimethylurea","1-[3-(allyloxy)-2-hydroxypropyl]-1,3-dimethylurea",CNC(=O)N(C)CC(O)COCC=C,CNC(=O)N(C)CC(O)COCC=C,"InChI=1/C9H18N2O3/c1-4-5-14-7-8(12)6-11(3)9(13)10-2/h4,8,12H,1,5-7H2,2-3H3,(H,10,13)",C9H18N2O3,,,,,,QSMVRTIQTDLIAL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.578,299-682-2,93893-89-1,3-methyl-5-phenylpent-2-enenitrile,3-methyl-5-phenylpent-2-enenitrile,CC(CCc1ccccc1)=CC#N,CC(CCc1ccccc1)=CC#N,"InChI=1/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3",C12H13N,,,,,,QELCXXZZKSRBET-UHFFFAOYSA-N,,,,,,,,,,,
100.090.579,299-683-8,93893-90-4,"1-(1,2,3,5,6,7,8,8a-octahydro-8,8-dimethyl-2-naphthyl)ethan-1-one","1-(8,8-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone",CC(=O)C1CC=C2CCCC(C)(C)C2C1,CC(=O)C1CC=C2CCCC(C)(C)C2C1,"InChI=1/C14H22O/c1-10(15)12-7-6-11-5-4-8-14(2,3)13(11)9-12/h6,12-13H,4-5,7-9H2,1-3H3",C14H22O,,,,,,IPORRAYCGUICSV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.580,299-684-3,93893-91-5,Oxacyclohexadec-14-en-2-one,oxacyclohexadec-14-en-2-one,O=C1CCCCCCCCCCC\\C=C\\CO1,O=C1CCCCCCCCCCC\C=C\CO1,"InChI=1/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h10,12H,1-9,11,13-14H2",C15H26O2,,,,,,PSFKNEZPTNSWPX-ZRDIBKRKSA-N,,,,,,,,,,,
100.090.601,299-708-2,93894-13-4,2-(2-butoxyethoxy)ethyl stearate,2-(2-butoxyethoxy)ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC,"InChI=1/C26H52O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27)30-25-24-29-23-22-28-21-6-4-2/h3-25H2,1-2H3",C26H52O4,,,,,,JFLVPDTYNNSVGH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.611,299-719-2,93894-23-6,"(Z)-[2-(3,7-dimethyl-2,6-octadienyloxy)-2-methoxyethyl]benzene","{2-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-2-methoxyethyl}benzene",COC(Cc1ccccc1)OC\\C=C(\\C)/CCC=C(C)C,COC(Cc1ccccc1)OC\C=C(\C)/CCC=C(C)C,"InChI=1/C19H28O2/c1-16(2)9-8-10-17(3)13-14-21-19(20-4)15-18-11-6-5-7-12-18/h5-7,9,11-13,19H,8,10,14-15H2,1-4H3",C19H28O2,,,,,,QKRGIVHDLCRAPW-LGMDPLHJSA-N,,,,,,,,,,,
100.069.325,276-281-0,72004-73-0,2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methylethyl]phenoxy]ethyl acrylate,2-(4-{1-[4-(2-hydroxyethoxy)phenyl]-1-methylethyl}phenoxy)ethyl acrylate,CC(C)(c1ccc(OCCO)cc1)c2ccc(OCCOC(=O)C=C)cc2,CC(C)(c1ccc(OCCO)cc1)c2ccc(OCCOC(=O)C=C)cc2,"InChI=1/C22H26O5/c1-4-21(24)27-16-15-26-20-11-7-18(8-12-20)22(2,3)17-5-9-19(10-6-17)25-14-13-23/h4-12,23H,1,13-16H2,2-3H3",C22H26O5,,,,,,JMVPGRARYOWXAT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.328,276-284-7,72010-87-8,N-[5-[bis(2-butoxyethyl)amino]-2-[(5-nitrothiazol-2-yl)azo]phenyl]acetamide,"N-{5-[bis(2-butoxyethyl)amino]-2-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}acetamide",CCCCOCCN(CCOCCCC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2,CCCCOCCN(CCOCCCC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2,"InChI=1/C23H34N6O5S/c1-4-6-12-33-14-10-28(11-15-34-13-7-5-2)19-8-9-20(21(16-19)25-18(3)30)26-27-23-24-17-22(35-23)29(31)32/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,25,30)",C23H34N6O5S,,,,,,VGJJSEWJLPZTRY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.935,271-450-5,68555-72-6,"N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)pentane-1-sulphonamide","N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)pentane-1-sulfonamide",CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H10F11NO3S/c1-2-21(3-4-22)25(23,24)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h22H,2-4H2,1H3",C9H10F11NO3S,,,,,,GBPAQIZWHVCENQ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.940,271-455-2,68555-77-1,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide","N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide",CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H13F9N2O2S/c1-20(2)5-3-4-19-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h19H,3-5H2,1-2H3",C9H13F9N2O2S,,,,,,XMRMVBVJGSKMEN-UHFFFAOYSA-N,,,,,,,,,,,
100.064.943,271-458-9,68555-80-6,N-hydroxy-2-[(2-methyl-1-oxoallyl)amino]benzamide,N-hydroxy-2-(methacryloylamino)benzamide,CC(=C)C(=O)Nc1ccccc1C(=O)NO,CC(=C)C(=O)Nc1ccccc1C(=O)NO,"InChI=1/C11H12N2O3/c1-7(2)10(14)12-9-6-4-3-5-8(9)11(15)13-16/h3-6,16H,1H2,2H3,(H,12,14)(H,13,15)",C11H12N2O3,,,,,,WAHPLCKQBVMECA-UHFFFAOYSA-N,,,,,,,,,,,
100.064.968,271-486-1,68561-10-4,4-oxo-2-thioxo-3-oxazolidineethanesulphonic acid,"2-(4-oxo-2-thioxo-1,3-oxazolidin-3-yl)ethanesulfonic acid",OS(=O)(=O)CCN1C(=O)COC1=S,OS(=O)(=O)CCN1C(=O)COC1=S,"InChI=1/C5H7NO5S2/c7-4-3-11-5(12)6(4)1-2-13(8,9)10/h1-3H2,(H,8,9,10)",C5H7NO5S2,,,,,,PPMCSZRGJHEBAY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.460,268-726-2,68134-05-4,2-ethoxyethyl oleate,2-ethoxyethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCOCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCOCC,"InChI=1/C22H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)25-21-20-24-4-2/h11-12H,3-10,13-21H2,1-2H3",C22H42O3,,,,,,VUPZFTKJJOGXIU-QXMHVHEDSA-N,,,,,,,,,,,
100.062.465,268-732-5,68134-15-6,Sodium 2-hydroxy-3-[(2-hydroxyethyl)[2-[(1-oxo-9-octadecenyl)amino]ethyl]amino]propanesulphonate,sodium 2-hydroxy-3-{(2-hydroxyethyl)[2-(oleoylamino)ethyl]amino}propane-1-sulfonate,[Na+].[O-]S(=O)(=O)CC(O)CN(CCNC(=O)CCCCCCCC=CCCCCCCCC)CCO,[Na+].[O-]S(=O)(=O)CC(O)CN(CCNC(=O)CCCCCCCC=CCCCCCCCC)CCO,"InChI=1/C25H50N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-18-19-27(20-21-28)22-24(29)23-34(31,32)33;/h9-10,24,28-29H,2-8,11-23H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1",C25H50N2O6S.Na,,,,,,HPHSQXYITTYVEY-UHFFFAOYSA-M,,,,,,,,,,,
100.062.473,268-740-9,68134-28-1,Potassium ethyl octylphosphonate,potassium ethyl octylphosphonate,[K+].CCCCCCCCP(=O)([O-])OCC,[K+].CCCCCCCCP(=O)([O-])OCC,"InChI=1/C10H23O3P.K/c1-3-5-6-7-8-9-10-14(11,12)13-4-2;/h3-10H2,1-2H3,(H,11,12);/q;+1/p-1",C10H23O3P.K,,,,,,YZLKHJOLQACLBS-UHFFFAOYSA-M,,,,,,,,,,,
100.062.477,268-745-6,68134-33-8,2-[[4-(diethylamino)phenyl]azo]-6-ethoxy-3-ethylbenzothiazolium chloride,"2-{[4-(diethylamino)phenyl]diazenyl}-6-ethoxy-3-ethyl-1,3-benzothiazol-3-ium chloride",[Cl-].CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CC)OCC,[Cl-].CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CC)OCC,"InChI=1/C21H27N4OS.ClH/c1-5-24(6-2)17-11-9-16(10-12-17)22-23-21-25(7-3)19-14-13-18(26-8-4)15-20(19)27-21;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1",C21H27N4OS.Cl,,,,,,SLEICUQLEDIPQH-UHFFFAOYSA-M,,,,,,,,,,,
100.062.478,268-746-1,68134-34-9,3-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-7-(diethylamino)-5-phenylphenazinium chloride,3-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-7-(diethylamino)-5-phenylphenazin-5-ium chloride,[Cl-].CCN(CCC#N)c1ccc(cc1)N=Nc2cc3[n+](c4cc(ccc4nc3cc2)N(CC)CC)c5ccccc5,[Cl-].CCN(CCC#N)c1ccc(cc1)N=Nc2cc3[n+](c4cc(ccc4nc3cc2)N(CC)CC)c5ccccc5,"InChI=1/C33H34N7.ClH/c1-4-38(5-2)29-18-20-31-33(24-29)40(28-11-8-7-9-12-28)32-23-26(15-19-30(32)35-31)37-36-25-13-16-27(17-14-25)39(6-3)22-10-21-34;/h7-9,11-20,23-24H,4-6,10,22H2,1-3H3;1H/q+1;/p-1",C33H34N7.Cl,,,,,,PJKUDEUBYMNDHH-UHFFFAOYSA-M,,,,,,,,,,,
100.062.480,268-748-2,68134-36-1,"5-chloro-2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","5-chloro-2-(2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].CN(CCO)c1ccc(\\C=C\\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1,[Cl-].CN(CCO)c1ccc(\C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1,"InChI=1/C22H26ClN2O.ClH/c1-22(2)19-15-17(23)8-11-20(19)25(4)21(22)12-7-16-5-9-18(10-6-16)24(3)13-14-26;/h5-12,15,26H,13-14H2,1-4H3;1H/q+1;/p-1",C22H26ClN2O.Cl,,,,,,XOUITCWYQKMKNU-UHFFFAOYSA-M,,,,,,,,,,,
100.062.486,268-755-0,68134-59-8,"Formic acid, copper nickel salt",-,[Ni+2].[Cu+].[O-]C=O,[Ni+2].[Cu+].[O-]C=O,"InChI=1/CH2O2.Cu.Ni/c2-1-3;;/h1H,(H,2,3);;/q;+1;+2/p-1",CH2O2.xCu.xNi,,,,,,YGTVIUXBUNJJJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.088.988,297-933-0,93776-07-9,"33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-henicosafluoro-2,5,8,11,14,17,20,23,26,29-decaoxadotetracontan-31-ol","33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-henicosafluoro-2,5,8,11,14,17,20,23,26,29-decaoxadotetracontan-31-ol",COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C32H45F21O11/c1-55-2-3-56-4-5-57-6-7-58-8-9-59-10-11-60-12-13-61-14-15-62-16-17-63-18-19-64-21-22(54)20-23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)29(45,46)30(47,48)31(49,50)32(51,52)53/h22,54H,2-21H2,1H3",C32H45F21O11,,,,,,PQQMYDRGSSPSSH-UHFFFAOYSA-N,,,,,,,,,,,
100.088.990,297-935-1,93776-09-1,"33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,43,44,44,44-tetracosafluoro-43-(trifluoromethyl)-2,5,8,11,14,17,20,23,26,29-decaoxatetratetracontan-31-ol","33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,43,44,44,44-tetracosafluoro-43-(trifluoromethyl)-2,5,8,11,14,17,20,23,26,29-decaoxatetratetracontan-31-ol",COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C35H45F27O11/c1-64-2-3-65-4-5-66-6-7-67-8-9-68-10-11-69-12-13-70-14-15-71-16-17-72-18-19-73-21-22(63)20-23(36,37)25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)32(53,54)30(49,50)28(45,46)26(41,42)24(38,34(57,58)59)35(60,61)62/h22,63H,2-21H2,1H3",C35H45F27O11,,,,,,MCTLLDFQQNTIQG-UHFFFAOYSA-N,,,,,,,,,,,
100.088.994,297-939-3,93776-13-7,"(2-carboxylatoethyl)[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl)amino]propyl]dimethylammonium","3-[{3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl)amino]propyl}(dimethyl)ammonio]propanoate",C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)[O-],C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(=O)[O-],"InChI=1/C21H23F21N2O3/c1-44(2,7-4-11(46)47)6-3-5-43-9-10(45)8-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)42/h10,43,45H,3-9H2,1-2H3",C21H23F21N2O3,,,,,,RONIKGBQXOKGOO-UHFFFAOYSA-N,,,,,,,,,,,
100.088.999,297-945-6,93776-18-2,"(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)bis(2-hydroxyethyl)methylammonium iodide","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methylundecan-1-aminium iodide",[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H19F17NO3.HI/c1-34(2-4-35,3-5-36)7-8(37)6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33;/h8,35-37H,2-7H2,1H3;1H/q+1;/p-1",C16H19F17NO3.I,,,,,,FLUXYIDFACKMRM-UHFFFAOYSA-M,,,,,,,,,,,
100.090.191,299-257-1,93858-25-4,"4-[[5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-{[5-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4\\C(=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)C(O)=O)c(cc5)S(O)(=O)=O,OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4\C(=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)C(O)=O)c(cc5)S(O)(=O)=O,"InChI=1/C25H18ClN9O12S3/c26-23-29-24(27-12-2-1-3-16(10-12)49(42,43)44)31-25(30-23)28-13-4-9-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-5-7-15(8-6-14)48(39,40)41/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31)",C25H18ClN9O12S3,,,,,,QMKVGLRKOOGFPU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.192,299-258-7,93858-26-5,"6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid","6-[(4,6-dichloro-1,3,5-triazin-2-yl)(methyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",CN(c1nc(Cl)nc(Cl)n1)c3cc4c(O)c(N=Nc2ccc(OC)cc2S(O)(=O)=O)c(cc4cc3)S(O)(=O)=O,CN(c1nc(Cl)nc(Cl)n1)c3cc4c(O)c(N=Nc2ccc(OC)cc2S(O)(=O)=O)c(cc4cc3)S(O)(=O)=O,"InChI=1/C21H16Cl2N6O8S2/c1-29(21-25-19(22)24-20(23)26-21)11-4-3-10-7-16(39(34,35)36)17(18(30)13(10)8-11)28-27-14-6-5-12(37-2)9-15(14)38(31,32)33/h3-9,30H,1-2H3,(H,31,32,33)(H,34,35,36)",C21H16Cl2N6O8S2,,,,,,UUGKXDOFUYJCQB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.195,299-261-3,93858-29-8,"4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulphonic acid","4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-6-{[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino}benzene-1,3-disulfonic acid",O=C4/C(=C(/C)\\C(\\N=Nc3cc(Nc2nc(Cl)nc(Oc1ccc(CCCCCCCCC)cc1)n2)c(cc3S(O)(=O)=O)S(O)(=O)=O)=C(\\O)N4CC)C(N)=O,O=C4/C(=C(/C)\C(\N=Nc3cc(Nc2nc(Cl)nc(Oc1ccc(CCCCCCCCC)cc1)n2)c(cc3S(O)(=O)=O)S(O)(=O)=O)=C(\O)N4CC)C(N)=O,"InChI=1/C33H39ClN8O10S2/c1-4-6-7-8-9-10-11-12-20-13-15-21(16-14-20)52-33-38-31(34)37-32(39-33)36-22-17-23(25(54(49,50)51)18-24(22)53(46,47)48)40-41-27-19(3)26(28(35)43)29(44)42(5-2)30(27)45/h13-18,45H,4-12H2,1-3H3,(H2,35,43)(H,46,47,48)(H,49,50,51)(H,36,37,38,39)",C33H39ClN8O10S2,,,,,,ZJPBZSUANPQGEL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.210,299-278-6,93858-47-0,N-[3-(dimethylamino)propyl]methacrylamide mononitrate,N-[3-(dimethylamino)propyl]-2-methylacrylamide nitrate,CN(C)CCCNC(=O)C(=C)C.O[N+](=O)[O-],CN(C)CCCNC(=O)C(=C)C.O[N+](=O)[O-],"InChI=1/C9H18N2O.HNO3/c1-8(2)9(12)10-6-5-7-11(3)4;2-1(3)4/h1,5-7H2,2-4H3,(H,10,12);(H,2,3,4)",C9H18N2O.HNO3,,,,,,NVUAAKJOHWIMHR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.863,274-673-6,70571-70-9,"Trisodium 2-[[6-[[4-fluoro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","trisodium 2-{[6-({4-fluoro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Fc5nc(Nc3cc4cc(c(N=Nc2ccc1c(cccc1c2S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(n5)N(C)c6ccccc6,[Na+].[Na+].[Na+].Fc5nc(Nc3cc4cc(c(N=Nc2ccc1c(cccc1c2S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(n5)N(C)c6ccccc6,"InChI=1/C30H22FN7O10S3.3Na/c1-38(18-6-3-2-4-7-18)30-34-28(31)33-29(35-30)32-17-10-11-19-16(14-17)15-24(50(43,44)45)25(26(19)39)37-36-22-13-12-20-21(27(22)51(46,47)48)8-5-9-23(20)49(40,41)42;;;/h2-15,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,32,33,34,35);;;/q;3*+1/p-3",C30H22FN7O10S3.3Na,,,,,,OZSZYYIHCQORMO-UHFFFAOYSA-K,,,,,,,,,,,
100.067.866,274-676-2,70572-52-0,2-(4-aminophenyl)-6-methylbenzothiazolesulphonic acid,"2-(4-aminophenyl)-6-methyl-2,3-dihydro-1,3-benzothiazole-2-sulfonic acid",Cc1ccc2NC(Sc2c1)(c3ccc(N)cc3)S(=O)(=O)O,Cc1ccc2NC(Sc2c1)(c3ccc(N)cc3)S(=O)(=O)O,"InChI=1/C14H14N2O3S2/c1-9-2-7-12-13(8-9)20-14(16-12,21(17,18)19)10-3-5-11(15)6-4-10/h2-8,16H,15H2,1H3,(H,17,18,19)",C14H12N2O3S2,,,,,,CIQWSXLSSTYHKB-UHFFFAOYSA-N,,,,,,,,,,,
100.067.867,274-677-8,70572-60-0,Chlorofluoronitrobenzene,1-chloro-2-fluoro-3-nitrobenzene,[O-][N+](=O)c1cccc(Cl)c1F,[O-][N+](=O)c1cccc(Cl)c1F,InChI=1/C6H3ClFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,C6H3ClFNO2,,,,,,RBAHXNSORRGCQA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.868,274-678-3,70579-62-3,"(R)-2-tridecyl-2,5-dihydro-4-methyl-5-oxo-3-furoic acid","4-methyl-5-oxo-2-tridecyl-2,5-dihydrofuran-3-carboxylic acid",CCCCCCCCCCCCC[C@H]1OC(=O)C(=C1C(=O)O)C,CCCCCCCCCCCCC[C@H]1OC(=O)C(=C1C(=O)O)C,"InChI=1/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16H,3-14H2,1-2H3,(H,20,21)",C19H32O4,,,,,,SLQVVNFTCYVCPB-MRXNPFEDSA-N,,,,,,,,,,,
100.067.871,274-682-5,70585-60-3,"2',4',6'-trihydroxy-4-(pyrrolidin-1-yl)butyrophenone","4-pyrrolidin-1-yl-1-(2,4,6-trihydroxyphenyl)butan-1-one",Oc1cc(O)c(C(=O)CCCN2CCCC2)c(O)c1,Oc1cc(O)c(C(=O)CCCN2CCCC2)c(O)c1,"InChI=1/C14H19NO4/c16-10-8-12(18)14(13(19)9-10)11(17)4-3-7-15-5-1-2-6-15/h8-9,16,18-19H,1-7H2",C14H19NO4,,,,,,BAWROKQOTBLQSB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.753,275-651-9,71597-86-9,Calcium bis[(R)-2-hydroxy-4-(methylthio)butyrate],calcium bis[2-hydroxy-4-(methylsulfanyl)butanoate],[Ca+2].CSCC[C@@H](O)C(=O)[O-].CSCC[C@@H](O)C(=O)[O-],[Ca+2].CSCC[C@@H](O)C(=O)[O-].CSCC[C@@H](O)C(=O)[O-],"InChI=1/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2",C5H10O3S.1/2Ca,,,,,,ABRVDWASZFDIEH-KDAOEQPASA-L,,,,,,,,,,,
100.068.754,275-652-4,71597-87-0,Calcium bis[(S)-2-hydroxy-4-(methylthio)butyrate],calcium bis[2-hydroxy-4-(methylsulfanyl)butanoate],[Ca+2].CSCC[C@H](O)C(=O)[O-].CSCC[C@H](O)C(=O)[O-],[Ca+2].CSCC[C@H](O)C(=O)[O-].CSCC[C@H](O)C(=O)[O-],"InChI=1/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2",C5H10O3S.1/2Ca,,,,,,ABRVDWASZFDIEH-SCGRZTRASA-L,,,,,,,,,,,
100.068.755,275-654-5,71598-17-9,"2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-{2-[4-(dimethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium acetate",CN(C)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],CN(C)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],"InChI=1/C21H25N2.C2H4O2/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;1-2(3)4/h6-15H,1-5H3;1H3,(H,3,4)/q+1;/p-1",C21H25N2.C2H3O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18193,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.755,BIMNBZJRQYMZIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.064.138,270-574-7,68444-02-0,"Sodium 3,6-bis(propylthio)naphthalene-2-sulphonate","sodium 3,6-bis(propylsulfanyl)naphthalene-2-sulfonate",[Na+].CCCSc1ccc2cc(c(SCCC)cc2c1)S(=O)(=O)[O-],[Na+].CCCSc1ccc2cc(c(SCCC)cc2c1)S(=O)(=O)[O-],"InChI=1/C16H20O3S3.Na/c1-3-7-20-14-6-5-12-11-16(22(17,18)19)15(21-8-4-2)10-13(12)9-14;/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,18,19);/q;+1/p-1",C16H20O3S3.Na,,,,,,JJEXYYGTOZOKMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.064.139,270-575-2,68444-03-1,Sodium 2-heptadecyl-1-methyl-1H-benzimidazole-7-sulphonate,sodium 2-heptadecyl-1-methyl-1H-benzimidazole-7-sulfonate,[Na+].CCCCCCCCCCCCCCCCCc1nc2cccc(c2n1C)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCc1nc2cccc(c2n1C)S(=O)(=O)[O-],"InChI=1/C25H42N2O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26-22-19-18-20-23(31(28,29)30)25(22)27(24)2;/h18-20H,3-17,21H2,1-2H3,(H,28,29,30);/q;+1/p-1",C25H42N2O3S.Na,,,,,,QLIHKCFMDGTQNZ-UHFFFAOYSA-M,,,,,,,,,,,
100.064.147,270-584-1,68444-12-2,Sodium a-hydroxy-m-nitrotoluene-a-sulphonate,sodium hydroxy(3-nitrophenyl)methanesulfonate,[Na+].OC(c1cccc(c1)[N+](=O)[O-])S(=O)(=O)[O-],[Na+].OC(c1cccc(c1)[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C7H7NO6S.Na/c9-7(15(12,13)14)5-2-1-3-6(4-5)8(10)11;/h1-4,7,9H,(H,12,13,14);/q;+1/p-1",C7H7NO6S.Na,,,,,,CWHBAYODKMITBS-UHFFFAOYSA-M,,,,,,,,,,,
100.064.151,270-588-3,68444-17-7,Diammonium isopropyl phosphate,diammonium isopropyl phosphate,[NH4+].[NH4+].CC(C)OP(=O)([O-])[O-],[NH4+].[NH4+].CC(C)OP(=O)([O-])[O-],"InChI=1/C3H9O4P.2H3N/c1-3(2)7-8(4,5)6;;/h3H,1-2H3,(H2,4,5,6);2*1H3",C3H9O4P.2H3N,,,,,,LNKPYXHTQWMWBV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.918,272-531-8,68876-87-9,"1-Hexanol, 2-ethyl-, diesters with C5-12 dicarboxylic acids",bis[5-(hydroxymethyl)heptyl] suberate,CCC(CO)CCCCOC(=O)CCCCCCC(=O)OCCCCC(CC)CO,CCC(CO)CCCCOC(=O)CCCCCCC(=O)OCCCCC(CC)CO,"InChI=1/C24H46O6/c1-3-21(19-25)13-9-11-17-29-23(27)15-7-5-6-8-16-24(28)30-18-12-10-14-22(4-2)20-26/h21-22,25-26H,3-20H2,1-2H3",-,,,,,,NYTPTDFCOOWIGR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.613,299-721-3,93894-25-8,"(Z)-1-[(3,7-dimethyl-2,6-octadienyl)oxy]-1-methoxydecane","1-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-1-methoxydecane",CCCCCCCCCC(OC)OC\\C=C(\\C)/CCC=C(C)C,CCCCCCCCCC(OC)OC\C=C(\C)/CCC=C(C)C,"InChI=1/C21H40O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h14,17,21H,6-13,15-16,18H2,1-5H3",C21H40O2,,,,,,UANRNVCGCSJMLJ-JZJYNLBNSA-N,,,,,,,,,,,
100.090.400,299-487-2,93892-07-0,"1,1-dibutoxyhexane","1,1-dibutoxyhexane",CCCCCC(OCCCC)OCCCC,CCCCCC(OCCCC)OCCCC,"InChI=1/C14H30O2/c1-4-7-10-11-14(15-12-8-5-2)16-13-9-6-3/h14H,4-13H2,1-3H3",C14H30O2,,,,,,XXIXJIRNHGJXBS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.401,299-488-8,93892-08-1,3-(hexyloxy)-2-oxopropionaldehyde,3-(hexyloxy)-2-oxopropanal,CCCCCCOCC(=O)C=O,CCCCCCOCC(=O)C=O,"InChI=1/C9H16O3/c1-2-3-4-5-6-12-8-9(11)7-10/h7H,2-6,8H2,1H3",C9H16O3,,,,,,DGWQOGPDRHHXCF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.406,299-494-0,93892-13-8,"Naphthalene-2-sulphonic acid, compound with 2-aminoethanol (1:1)",naphthalene-2-sulfonic acid - 2-aminoethanol (1:1),NCCO.OS(=O)(=O)c1ccc2ccccc2c1,NCCO.OS(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H8O3S.C2H7NO/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;3-1-2-4/h1-7H,(H,11,12,13);4H,1-3H2",C10H8O3S.C2H7NO,,,,,,PZYIRBNZDZVZKP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.414,299-502-2,93892-21-8,"2-[(4,5-diamino-1-naphthyl)azo]-5-nitrobenzenesulphonic acid","2-[(4,5-diamino-1-naphthyl)diazenyl]-5-nitrobenzenesulfonic acid",[O-][N+](=O)c3ccc(N=Nc2ccc(N)c1c2cccc1N)c(c3)S(O)(=O)=O,[O-][N+](=O)c3ccc(N=Nc2ccc(N)c1c2cccc1N)c(c3)S(O)(=O)=O,"InChI=1/C16H13N5O5S/c17-11-3-1-2-10-13(7-5-12(18)16(10)11)19-20-14-6-4-9(21(22)23)8-15(14)27(24,25)26/h1-8H,17-18H2,(H,24,25,26)",C16H13N5O5S,,,,,,DJRGSBQSDHTWGW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.619,299-728-1,93894-31-6,"1,1'-[2-methyl-3-(pent-2-enyl)-2-cyclopenten-1-ylidene]bis(1H-indole)","1,1'-(2-methyl-3-pent-2-en-1-ylcyclopent-2-ene-1,1-diyl)bis(1H-indole)",C\\C3=C(/CC=CCC)CCC3(n2ccc1ccccc12)n5ccc4ccccc45,C\C3=C(/CC=CCC)CCC3(n2ccc1ccccc12)n5ccc4ccccc45,"InChI=1/C27H28N2/c1-3-4-5-10-22-15-18-27(21(22)2,28-19-16-23-11-6-8-13-25(23)28)29-20-17-24-12-7-9-14-26(24)29/h4-9,11-14,16-17,19-20H,3,10,15,18H2,1-2H3",C27H28N2,,,,,,VLBFAFALCBOIEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.087.310,296-084-3,92207-21-1,(hexahydro-2-oxo-1H-azepin-3-yl)trimethylammonium methyl sulphate,"N,N,N-trimethyl-2-oxoazepan-3-aminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)C1CCCCNC1=O,COS(=O)(=O)[O-].C[N+](C)(C)C1CCCCNC1=O,"InChI=1/C9H18N2O.CH4O4S/c1-11(2,3)8-6-4-5-7-10-9(8)12;1-5-6(2,3)4/h8H,4-7H2,1-3H3;1H3,(H,2,3,4)",C9H19N2O.CH3O4S,,,,,,WJIDYVMMSTVWOF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.429,299-519-5,93892-36-5,"3,3,4,6-tetramethylindan-5-ol","3,3,4,6-tetramethylindan-5-ol",Cc1cc2CCC(C)(C)c2c(C)c1O,Cc1cc2CCC(C)(C)c2c(C)c1O,"InChI=1/C13H18O/c1-8-7-10-5-6-13(3,4)11(10)9(2)12(8)14/h7,14H,5-6H2,1-4H3",C13H18O,,,,,,FHAYDZGZVUURDI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.439,299-530-5,93892-46-7,"2,2'-(2-methylpropylidene)bis[6-cyclopentyl-p-cresol]","2,2'-(2-methylpropane-1,1-diyl)bis(6-cyclopentyl-4-methylphenol)",CC(C)C(c1cc(C)cc(C2CCCC2)c1O)c3cc(C)cc(C4CCCC4)c3O,CC(C)C(c1cc(C)cc(C2CCCC2)c1O)c3cc(C)cc(C4CCCC4)c3O,"InChI=1/C28H38O2/c1-17(2)26(24-15-18(3)13-22(27(24)29)20-9-5-6-10-20)25-16-19(4)14-23(28(25)30)21-11-7-8-12-21/h13-17,20-21,26,29-30H,5-12H2,1-4H3",C28H38O2,,,,,,SHCZVYJBDXJGSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.440,299-531-0,93892-47-8,"1-methoxy-5,7-dimethyloct-4-ene","1-methoxy-5,7-dimethyloct-4-ene",COCCCC=C(C)CC(C)C,COCCCC=C(C)CC(C)C,"InChI=1/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h7,10H,5-6,8-9H2,1-4H3",C11H22O,,,,,,IPZATDUGRKALNA-UHFFFAOYSA-N,,,,,,,,,,,
100.090.442,299-533-1,93892-49-0,5-isobutyl-1-methoxyhex-5-ene,1-methoxy-7-methyl-5-methyleneoctane,COCCCCC(=C)CC(C)C,COCCCCC(=C)CC(C)C,"InChI=1/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h10H,3,5-9H2,1-2,4H3",C11H22O,,,,,,IJCNAXBBGXNYCC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.443,299-534-7,93892-50-3,(5-methoxy-1-methylpentylidene)cyclohexane,(5-methoxy-1-methylpentylidene)cyclohexane,COCCCCC(=C1CCCCC1)C,COCCCCC(=C1CCCCC1)C,"InChI=1/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h3-11H2,1-2H3",C13H24O,,,,,,XPBFRLBRISUWSP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.448,299-539-4,93892-55-8,"5-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-4-penten-1-ol","5-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)pent-4-en-1-ol",CC2(C)C1CCC(C1)C2C=CCCCO,CC2(C)C1CCC(C1)C2C=CCCCO,"InChI=1/C14H24O/c1-14(2)12-8-7-11(10-12)13(14)6-4-3-5-9-15/h4,6,11-13,15H,3,5,7-10H2,1-2H3",C14H24O,,,,,,SXNZUJXNSWYPAS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.330,302-710-9,94133-50-3,Diethylammonium octyl sulphate,N-ethylethanaminium octyl sulfate,CCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC,CCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC,"InChI=1/C8H18O4S.C4H11N/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3-5-4-2/h2-8H2,1H3,(H,9,10,11);5H,3-4H2,1-2H3",C8H18O4S.C4H11N,,,,,,QKUYHGMVYZSEGO-UHFFFAOYSA-N,,,,,,,,,,,
100.087.350,296-129-7,92272-24-7,"1-bromobutane-2,3-dione 2,3-dioxime","1-bromobutane-2,3-dione dioxime",CC(=NO)C(CBr)=NO,CC(=NO)C(CBr)=NO,"InChI=1/C4H7BrN2O2/c1-3(6-8)4(2-5)7-9/h8-9H,2H2,1H3",C4H7BrN2O2,,,,,,RSLGMHNAVRSVNR-UHFFFAOYSA-N,,,,,,,,,,,
100.062.491,268-760-8,68139-02-6,"5-bicyclo[2.2.1]hept-2-yl-2,4-dimethylpent-2-en-1-al","5-bicyclo[2.2.1]hept-2-yl-2,4-dimethylpent-2-enal",O=CC(C)=CC(C)CC2CC1CCC2C1,O=CC(C)=CC(C)CC2CC1CCC2C1,"InChI=1/C14H22O/c1-10(5-11(2)9-15)6-14-8-12-3-4-13(14)7-12/h5,9-10,12-14H,3-4,6-8H2,1-2H3",C14H22O,,,,,,RTLMMYGTTYKHNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.336,276-293-6,72017-91-5,"Tetrasodium 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-3-methoxyphenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","tetrasodium 5-amino-3-{[4-({4-[(8-amino-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-3-methoxyphenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc6ccc(N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)cc6,[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc6ccc(N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)cc6,"InChI=1/C33H26N8O15S4.4Na/c1-56-25-12-19(6-7-24(25)39-41-31-27(60(53,54)55)11-16-9-21(58(47,48)49)14-23(35)29(16)33(31)43)38-36-17-2-4-18(5-3-17)37-40-30-26(59(50,51)52)10-15-8-20(57(44,45)46)13-22(34)28(15)32(30)42;;;;/h2-14,42-43H,34-35H2,1H3,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;/q;4*+1/p-4",C33H26N8O15S4.4Na,,,,,,BFGOZYPHIIBVEK-UHFFFAOYSA-J,,,,,,,,,,,
100.069.345,276-302-3,72018-27-0,"Hexyl sulphate, magnesium salt",-,[Mg+2].CCCCCCOS(=O)(=O)OCCCCCC,[Mg+2].CCCCCCOS(=O)(=O)OCCCCCC,"InChI=1/C12H26O4S.Mg/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;/h3-12H2,1-2H3;/q;+2",C6H14O4S.1/2Mg,,,,,,CLACWAWMOXBTOO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.348,276-306-5,72018-30-5,1-ethyl-6-methylcyclohexene,1-ethyl-6-methylcyclohexene,CCC1=CCCCC1C,CCC1=CCCCC1C,"InChI=1/C9H16/c1-3-9-7-5-4-6-8(9)2/h7-8H,3-6H2,1-2H3",C9H16,,,,,,SZQINPXTYBNYCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.351,276-309-1,72058-41-4,"4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine","4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine",CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1,CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1,"InChI=1/C11H18Cl2N4/c1-10(2,3)6-11(4,5)17-9-15-7(12)14-8(13)16-9/h6H2,1-5H3,(H,14,15,16,17)",C11H18Cl2N4,,,,,,HPFWYRKGZUGGPB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.969,271-487-7,68564-88-5,11-(heptylamino)undecanoic acid,11-(heptylamino)undecanoic acid,CCCCCCCNCCCCCCCCCCC(=O)O,CCCCCCCNCCCCCCCCCCC(=O)O,"InChI=1/C18H37NO2/c1-2-3-4-10-13-16-19-17-14-11-8-6-5-7-9-12-15-18(20)21/h19H,2-17H2,1H3,(H,20,21)",C18H37NO2,,,,,,GNHLOUIICBHQIT-UHFFFAOYSA-N,,,,,,,,,,,
100.064.972,271-490-3,68568-46-7,"Tris(methoxymethyl)tris[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine","N~2~,N~2~,N~4~-tris(methoxymethyl)-N~4~,N~6~,N~6~-tris[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine",CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)N(COC)COC,CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)N(COC)COC,"InChI=1/C66H132N6O6/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-76-61-71(60-75-6)65-67-64(70(58-73-4)59-74-5)68-66(69-65)72(62-77-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)63-78-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h7-63H2,1-6H3",C66H132N6O6,,,,,,TUPPVJRQLQHRHV-UHFFFAOYSA-N,,,,,,,,,,,
100.064.973,271-491-9,68568-47-8,(dichlorobenzyl)dimethyltetradecylammonium chloride,"N-(2,3-dichlorobenzyl)-N,N-dimethyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1cccc(Cl)c1Cl,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1cccc(Cl)c1Cl,"InChI=1/C23H40Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-26(2,3)20-21-17-16-18-22(24)23(21)25;/h16-18H,4-15,19-20H2,1-3H3;1H/q+1;/p-1",C23H40Cl2N.Cl,,,,,,XDWIXQICVFNIMI-UHFFFAOYSA-M,,,,,,,,,,,
100.064.979,271-498-7,68568-56-9,"3-nitrotoluene-4-diazonium chloride, compound with zinc chloride","3-nitrotoluene-4-diazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].Cc1ccc([N+]#N)c(c1)[N+](=O)[O-],[Cl-].[Cl-].[Cl-].[Zn+2].Cc1ccc([N+]#N)c(c1)[N+](=O)[O-],"InChI=1/C7H6N3O2.3ClH.Zn/c1-5-2-3-6(9-8)7(4-5)10(11)12;;;;/h2-4H,1H3;3*1H;/q+1;;;;+2/p-3",C7H6N3O2.xCl2Zn.xCl,,,,,,GLIIORDSYPUCJZ-UHFFFAOYSA-K,,,,,,,,,,,
100.064.987,271-506-9,68575-36-0,"3,5-dichloro-a-methylstyrene","1,3-dichloro-5-isopropenylbenzene",CC(=C)c1cc(Cl)cc(Cl)c1,CC(=C)c1cc(Cl)cc(Cl)c1,"InChI=1/C9H8Cl2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5H,1H2,2H3",C9H8Cl2,,,,,,CSXMJJOTTRDXHY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.374,276-334-8,72089-18-0,"1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)vinyl]-3H-indolium acetate","1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)vinyl]-3H-indolium acetate",CC(=O)[O-].Cc1[nH]c2ccccc2c1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C,CC(=O)[O-].Cc1[nH]c2ccccc2c1\C=C\C3=[N+](C)c4ccccc4C3(C)C,"InChI=1/C22H22N2.C2H4O2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-2(3)4/h5-14H,1-4H3;1H3,(H,3,4)",C22H23N2.C2H3O2,,,,,,RUIBAOGHKUTPQO-UHFFFAOYSA-N,,,,,,,,,,,
100.064.750,271-246-6,68527-01-5,"Alkenes, C12-30 a-, bromo chloro",9-bromo-14-chloroicos-1-ene,CCCCCCC(Cl)CCCCC(Br)CCCCCCC=C,CCCCCCC(Cl)CCCCC(Br)CCCCCCC=C,"InChI=1/C20H38BrCl/c1-3-5-7-9-10-11-15-19(21)16-13-14-18-20(22)17-12-8-6-4-2/h3,19-20H,1,4-18H2,2H3",-,,,,,,SYVMBZPPHALHKO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.218,299-287-5,93858-55-0,1-chloro-2-ethoxyethanol,1-chloro-2-ethoxyethanol,CCOCC(O)Cl,CCOCC(O)Cl,"InChI=1/C4H9ClO2/c1-2-7-3-4(5)6/h4,6H,2-3H2,1H3",C4H9ClO2,,,,,,KGYLDJSTXOWMEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.097,301-353-6,94006-16-3,2-[acetyl[2-[(1-oxohexadecyl)amino]ethyl]amino]ethyl acetate,2-{acetyl[2-(palmitoylamino)ethyl]amino}ethyl acetate,CCCCCCCCCCCCCCCC(=O)NCCN(CCOC(=O)C)C(=O)C,CCCCCCCCCCCCCCCC(=O)NCCN(CCOC(=O)C)C(=O)C,"InChI=1/C24H46N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)25-18-19-26(22(2)27)20-21-30-23(3)28/h4-21H2,1-3H3,(H,25,29)",C24H46N2O4,,,,,,WQSCZRSBIWNPKF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.099,301-355-7,94006-18-5,2-[N-[2-[(Z)-octadec-9-enylamino]ethyl]acetamido]ethyl acetate,2-{acetyl[2-(octadec-9-en-1-ylamino)ethyl]amino}ethyl acetate,CCCCCCCC\\C=C/CCCCCCCCNCCN(CCOC(=O)C)C(=O)C,CCCCCCCC\C=C/CCCCCCCCNCCN(CCOC(=O)C)C(=O)C,"InChI=1/C26H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-22-28(25(2)29)23-24-31-26(3)30/h11-12,27H,4-10,13-24H2,1-3H3",C26H48N2O4,,,,,,WBXMSJPVUUSZHF-QXMHVHEDSA-N,,,,,,,,,,,
100.092.100,301-356-2,94006-19-6,Ethylammonium phosphate (3:1),triethanaminium phosphate,CC[NH3+].CC[NH3+].CC[NH3+].[O-]P(=O)([O-])[O-],CC[NH3+].CC[NH3+].CC[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/3C2H7N.H3O4P/c3*1-2-3;1-5(2,3)4/h3*2-3H2,1H3;(H3,1,2,3,4)",C2H7N.1/3H3O4P,,,,,,JHHUETYWMKKDLV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.102,301-358-3,94006-22-1,"2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium methyl sulphate","2-heptadec-8-en-1-yl-1-methyl-1-[2-(oleoylamino)ethyl]-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",C[N+]1(CCNC(=O)CCCCCCCC=CCCCCCCCC)CC\\N=C1\\CCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OC,C[N+]1(CCNC(=O)CCCCCCCC=CCCCCCCCC)CC\N=C1\CCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OC,"InChI=1/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)",C41H78N3O.CH3O4S,,,,,,ASOLQNQTXIEOPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.112,301-369-3,94006-33-4,4-(chlorosulphonyl)-2-(2-pyridylazo)-1-naphthyl pivalate,4-(chlorosulfonyl)-2-(pyridin-2-yldiazenyl)-1-naphthyl pivalate,CC(C)(C)C(=O)Oc3c(N=Nc1ccccn1)cc(c2ccccc23)S(Cl)(=O)=O,CC(C)(C)C(=O)Oc3c(N=Nc1ccccn1)cc(c2ccccc23)S(Cl)(=O)=O,"InChI=1/C20H18ClN3O4S/c1-20(2,3)19(25)28-18-14-9-5-4-8-13(14)16(29(21,26)27)12-15(18)23-24-17-10-6-7-11-22-17/h4-12H,1-3H3",C20H18ClN3O4S,,,,,,MRTVKYWNAPYBLC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.117,301-375-6,94006-38-9,1-hydroxy-4-[2-[(2-methoxyethyl)amino]-2-oxoethoxy]-2-naphthoic acid,1-hydroxy-4-{2-[(2-methoxyethyl)amino]-2-oxoethoxy}-2-naphthoic acid,COCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12,COCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12,"InChI=1/C16H17NO6/c1-22-7-6-17-14(18)9-23-13-8-12(16(20)21)15(19)11-5-3-2-4-10(11)13/h2-5,8,19H,6-7,9H2,1H3,(H,17,18)(H,20,21)",C16H17NO6,,,,,,KQOISVWHDJYHLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.640,299-751-7,93894-52-1,"1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulphonic anhydride","1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulphonic anhydride",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C8F18O5S2/c9-1(3(11,12)13,4(14,15)16)7(23,24)32(27,28)31-33(29,30)8(25,26)2(10,5(17,18)19)6(20,21)22",C8F18O5S2,,,,,,DMRUAQMVQHUQQD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.664,299-777-9,93904-39-3,"Sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-2-sulphonate","sodium 5-[(4-amino-3-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-2-methylbenzenesulfonate",[Na+].Cc1cc(Nc2ccc(C)c(c2)S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c3c1N,[Na+].Cc1cc(Nc2ccc(C)c(c2)S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C22H18N2O5S.Na/c1-11-7-8-13(10-17(11)30(27,28)29)24-16-9-12(2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1",C22H18N2O5S.Na,,,,,,CELSKHGNWHNXED-UHFFFAOYSA-M,,,,,,,,,,,
100.090.230,299-300-4,93858-67-4,"Isobutyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)","isobutyl dihydrogen phosphate - 2,2'-iminodiethanol (1:2)",CC(C)COP(=O)(O)O.OCCNCCO.OCCNCCO,CC(C)COP(=O)(O)O.OCCNCCO.OCCNCCO,"InChI=1/2C4H11NO2.C4H11O4P/c2*6-3-1-5-2-4-7;1-4(2)3-8-9(5,6)7/h2*5-7H,1-4H2;4H,3H2,1-2H3,(H2,5,6,7)",C4H11NO2.1/2C4H11O4P,,,,,,QRZPBXPAMOICCI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.241,299-313-5,93858-79-8,"2-[(4H-1,3-benzodioxin-6-ylmethylhydrazono)methyl]-1,3,3-trimethyl-3H-indolium acetate","2-[(4H-1,3-benzodioxin-6-ylmethyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium acetate",[O-]C(C)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NNCc2ccc3OCOCc3c2,[O-]C(C)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NNCc2ccc3OCOCc3c2,"InChI=1/C21H23N3O2.C2H4O2/c1-21(2)17-6-4-5-7-18(17)24(3)20(21)12-23-22-11-15-8-9-19-16(10-15)13-25-14-26-19;1-2(3)4/h4-10,12H,11,13-14H2,1-3H3;1H3,(H,3,4)",C21H24N3O2.C2H3O2,,,,,,NNUKHJDZSMWRMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.243,299-315-6,93858-81-2,[(1-oxoallyl)amino]octadecanesulphonic acid,1-(acryloylamino)octadecane-1-sulfonic acid,CCCCCCCCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)O,"InChI=1/C21H41NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27(24,25)26)22-20(23)4-2/h4,21H,2-3,5-19H2,1H3,(H,22,23)(H,24,25,26)",C21H41NO4S,,,,,,ZELMCNGBZNDREZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.635,274-422-0,70210-25-2,"Disodium 5-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-({2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc5c(cc(cc5N=Nc4cc(N=Nc3cc(cc2cc(c(N=Nc1ccc(cc1)[N+]([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc4O)[N+]([O-])=O)[N+]([O-])=O,[Na+].[Na+].Oc5c(cc(cc5N=Nc4cc(N=Nc3cc(cc2cc(c(N=Nc1ccc(cc1)[N+]([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(O)cc4O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C28H17N9O16S2.2Na/c38-22-11-23(39)18(31-33-20-7-15(36(44)45)8-21(27(20)40)37(46)47)10-17(22)30-32-19-9-16(54(48,49)50)5-12-6-24(55(51,52)53)26(28(41)25(12)19)34-29-13-1-3-14(4-2-13)35(42)43;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C28H17N9O16S2.2Na,,,,,,OEKPZQXAQCGGBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.067.636,274-423-6,70210-26-3,"Trisodium 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate","trisodium 7-({2-(carbamoylamino)-4-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]phenyl}diazenyl)naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(OC(C)C)n4,[Na+].[Na+].[Na+].Clc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(OC(C)C)n4,"InChI=1/C23H21ClN8O11S3.3Na/c1-10(2)43-23-29-20(24)28-22(30-23)26-12-3-4-15(16(7-12)27-21(25)33)31-32-17-9-14-11(6-19(17)46(40,41)42)5-13(44(34,35)36)8-18(14)45(37,38)39;;;/h3-10H,1-2H3,(H3,25,27,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,26,28,29,30);;;/q;3*+1/p-3",C23H21ClN8O11S3.3Na,,,,,,VGXADPOLEBTNLQ-UHFFFAOYSA-K,,,,,,,,,,,
100.067.637,274-424-1,70210-27-4,"Disodium 1-amino-4-[[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(3-{[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino}-2,4,6-trimethyl-5-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].CCOCCOc1nc(Cl)nc(Nc2c(C)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c(C)c(c2C)S(=O)(=O)[O-])n1,[Na+].[Na+].CCOCCOc1nc(Cl)nc(Nc2c(C)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c(C)c(c2C)S(=O)(=O)[O-])n1,"InChI=1/C30H29ClN6O10S2.2Na/c1-5-46-10-11-47-30-36-28(31)35-29(37-30)34-24-13(2)23(14(3)27(15(24)4)49(43,44)45)33-18-12-19(48(40,41)42)22(32)21-20(18)25(38)16-8-6-7-9-17(16)26(21)39;;/h6-9,12,33H,5,10-11,32H2,1-4H3,(H,40,41,42)(H,43,44,45)(H,34,35,36,37);;/q;2*+1/p-2",C30H29ClN6O10S2.2Na,,,,,,ALOIVEFCEAUYNJ-UHFFFAOYSA-L,,,,,,,,,,,
100.067.647,274-435-1,70210-38-7,Disodium 2-[3-nitro-4-[[4-(phenylamino)-3-sulphonatophenyl]amino]benzoyl]benzoate,disodium 2-{4-[(4-anilino-3-sulfonatophenyl)amino]-3-nitrobenzoyl}benzoate,[Na+].[Na+].[O-]C(=O)c1ccccc1C(=O)c2ccc(Nc3ccc(Nc4ccccc4)c(c3)S(=O)(=O)[O-])c(c2)[N+](=O)[O-],[Na+].[Na+].[O-]C(=O)c1ccccc1C(=O)c2ccc(Nc3ccc(Nc4ccccc4)c(c3)S(=O)(=O)[O-])c(c2)[N+](=O)[O-],"InChI=1/C26H19N3O8S.2Na/c30-25(19-8-4-5-9-20(19)26(31)32)16-10-12-21(23(14-16)29(33)34)28-18-11-13-22(24(15-18)38(35,36)37)27-17-6-2-1-3-7-17;;/h1-15,27-28H,(H,31,32)(H,35,36,37);;/q;2*+1/p-2",C26H19N3O8S.2Na,,,,,,JEMWFVKGCZWBSV-UHFFFAOYSA-L,,,,,,,,,,,
100.067.648,274-436-7,70210-39-8,Disodium 5-[[4-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxy-6-(methylamino)naphthalene-2-sulphonate,disodium 5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxy-6-(methylamino)naphthalene-2-sulfonate,[Na+].[Na+].BrC(=C)C(=O)Nc3ccc(N=Nc1c(ccc2cc(cc(O)c12)S([O-])(=O)=O)NC)c(c3)S([O-])(=O)=O,[Na+].[Na+].BrC(=C)C(=O)Nc3ccc(N=Nc1c(ccc2cc(cc(O)c12)S([O-])(=O)=O)NC)c(c3)S([O-])(=O)=O,"InChI=1/C20H17BrN4O8S2.2Na/c1-10(21)20(27)23-12-4-6-14(17(8-12)35(31,32)33)24-25-19-15(22-2)5-3-11-7-13(34(28,29)30)9-16(26)18(11)19;;/h3-9,22,26H,1H2,2H3,(H,23,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C20H17BrN4O8S2.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10953,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.648,HNPZBDFFHBHBFR-UHFFFAOYSA-L,,,,,,,,,,,
100.067.654,274-443-5,70210-45-6,"Disodium 5,5'-[sulphonylbis(3,1-phenyleneazo)]bis[6-amino-4-hydroxynaphthalene-2-sulphonate]","disodium 5,5'-[sulfonylbis(3,1-phenylenediazene-2,1-diyl)]bis(6-amino-4-hydroxynaphthalene-2-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(N)c6N=Nc2cccc(c2)S(=O)(=O)c3cccc(c3)N=Nc4c(N)ccc5cc(cc(O)c45)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(N)c6N=Nc2cccc(c2)S(=O)(=O)c3cccc(c3)N=Nc4c(N)ccc5cc(cc(O)c45)S([O-])(=O)=O,"InChI=1/C32H24N6O10S3.2Na/c33-25-9-7-17-11-23(50(43,44)45)15-27(39)29(17)31(25)37-35-19-3-1-5-21(13-19)49(41,42)22-6-2-4-20(14-22)36-38-32-26(34)10-8-18-12-24(51(46,47)48)16-28(40)30(18)32;;/h1-16,39-40H,33-34H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",C32H24N6O10S3.2Na,,,,,,ZKNJKWWEUXLGNN-UHFFFAOYSA-L,,,,,,,,,,,
100.067.659,274-448-2,70216-96-5,2-(2-benzothiazolyloxy)phenol,"2-(1,3-benzothiazol-2-yloxy)phenol",Oc1ccccc1Oc2nc3ccccc3s2,Oc1ccccc1Oc2nc3ccccc3s2,"InChI=1/C13H9NO2S/c15-10-6-2-3-7-11(10)16-13-14-9-5-1-4-8-12(9)17-13/h1-8,15H",C13H9NO2S,,,,,,MZODOBBOQXPSNU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.768,275-668-1,71605-88-4,Hexyl o-anisate,hexyl 2-methoxybenzoate,CCCCCCOC(=O)c1ccccc1OC,CCCCCCOC(=O)c1ccccc1OC,"InChI=1/C14H20O3/c1-3-4-5-8-11-17-14(15)12-9-6-7-10-13(12)16-2/h6-7,9-10H,3-5,8,11H2,1-2H3",C14H20O3,,,,,,UMXZQFHEWNEFNM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.769,275-669-7,71606-02-5,Oxybis(methylethylene) maleate,-,CC(=C)OC(=C)C.[O-]C(=O)\\C=C/C(=O)[O-],CC(=C)OC(=C)C.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C6H10O.C4H4O4/c1-5(2)7-6(3)4;5-3(6)1-2-4(7)8/h1,3H2,2,4H3;1-2H,(H,5,6)(H,7,8)/p-2",C14H18O9,,,,,,PRJAAIKLMMDWFU-BTJKTKAUSA-L,,,,,,,,,,,
100.068.770,275-670-2,71607-26-6,Hexyl anisate,hexyl 4-methoxybenzoate,CCCCCCOC(=O)c1ccc(OC)cc1,CCCCCCOC(=O)c1ccc(OC)cc1,"InChI=1/C14H20O3/c1-3-4-5-6-11-17-14(15)12-7-9-13(16-2)10-8-12/h7-10H,3-6,11H2,1-2H3",C14H20O3,,,,,,DUALVGKOWZJXLR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.771,275-671-8,71607-27-7,Heptylcyclopentan-1-one,2-heptylcyclopentanone,CCCCCCCC1CCCC1=O,CCCCCCCC1CCCC1=O,"InChI=1/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3",C12H22O,,,,,,PJXHBTZLHITWFX-UHFFFAOYSA-N,,,,,,,,,,,
100.087.353,296-132-3,92319-47-6,Heptyl cyclohexanecarboxylate,heptyl cyclohexanecarboxylate,CCCCCCCOC(=O)C1CCCCC1,CCCCCCCOC(=O)C1CCCCC1,"InChI=1/C14H26O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h13H,2-12H2,1H3",C14H26O2,,,,,,NUUQQOTYKFJRDX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.003,297-949-8,93776-22-8,"Ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl) phosphate","ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl) phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C28H9F50O4P.H3N/c29-5(30,7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)21(61,62)23(65,66)25(69,70)27(73,74)75)1-3-81-83(79,80)82-4-2-6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(59,60)22(63,64)24(67,68)26(71,72)28(76,77)78;/h1-4H2,(H,79,80);1H3",C28H9F50O4P.H3N,,,,,,CMINTWUWWYYWET-UHFFFAOYSA-N,,,,,,,,,,,
100.090.463,299-556-7,93892-70-7,Calcium 2-methylnaphthalenesulphonate,calcium bis(2-methylnaphthalene-1-sulfonate),[Ca+2].Cc1ccc2ccccc2c1S(=O)(=O)[O-].Cc3ccc4ccccc4c3S(=O)(=O)[O-],[Ca+2].Cc1ccc2ccccc2c1S(=O)(=O)[O-].Cc3ccc4ccccc4c3S(=O)(=O)[O-],"InChI=1/2C11H10O3S.Ca/c2*1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;/h2*2-7H,1H3,(H,12,13,14);/q;;+2/p-2",C11H10O3S.Ca,,,,,,KVGLPYDUSVENOR-UHFFFAOYSA-L,,,,,,,,,,,
100.090.471,299-565-6,93892-78-5,Tridecaammonium hydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"tridecaammonium hydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.13H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);13*1H3/p-1",C15H44N5O21P7.13H3N,,,,,,UXFCSDIWXVTIEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.474,299-568-2,93892-81-0,"Nonasodium heptahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","nonasodium heptahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.9Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;/q;9*+1/p-16",C18H52N6O24P8.9Na,,,,,,GYYVSCLPWDIQSH-UHFFFAOYSA-A,,,,,,,,,,,
100.090.478,299-572-4,93892-85-4,"Octapotassium octahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","octapotassium octahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.8K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;/q;8*+1/p-16",C18H52N6O24P8.8K,,,,,,XPDUGIMIIIGLMX-UHFFFAOYSA-A,,,,,,,,,,,
100.064.770,271-268-6,68527-46-8,m-nitrophenethyl acetate,2-(3-nitrophenyl)ethyl acetate,CC(=O)OCCc1cccc(c1)[N+](=O)[O-],CC(=O)OCCc1cccc(c1)[N+](=O)[O-],"InChI=1/C10H11NO4/c1-8(12)15-6-5-9-3-2-4-10(7-9)11(13)14/h2-4,7H,5-6H2,1H3",C10H11NO4,,,,,,DHCRSUDNZBCHMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.772,271-270-7,68527-61-7,"[4-[a-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium benzoate","N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium benzoate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.[O-]C(=O)c4ccccc4,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.[O-]C(=O)c4ccccc4,"InChI=1/C23H25N2.C7H6O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;8-7(9)6-4-2-1-3-5-6/h5-17H,1-4H3;1-5H,(H,8,9)/q+1;/p-1",C23H25N2.C7H5O2,,,,,,XXDIMAOKYNRIQM-UHFFFAOYSA-M,,,,,,,,,,,
100.064.778,271-277-5,68527-69-5,"5,6-dimethylquinolin-8-amine","5,6-dimethylquinolin-8-amine",Cc1cc(N)c2ncccc2c1C,Cc1cc(N)c2ncccc2c1C,"InChI=1/C11H12N2/c1-7-6-10(12)11-9(8(7)2)4-3-5-13-11/h3-6H,12H2,1-2H3",C11H12N2,,,,,,PCFUCAPVUDEZAR-UHFFFAOYSA-N,,,,,,,,,,,
100.064.781,271-280-1,68527-75-3,"6-methoxy-2,7-dimethyloct-6-en-1-ol","6-methoxy-2,7-dimethyloct-6-en-1-ol",COC(=C(C)C)CCCC(C)CO,COC(=C(C)C)CCCC(C)CO,"InChI=1/C11H22O2/c1-9(2)11(13-4)7-5-6-10(3)8-12/h10,12H,5-8H2,1-4H3",C11H22O2,,,,,,NJXHHYFDABKKEC-UHFFFAOYSA-N,,,,,,,,,,,
100.064.790,271-290-6,68527-84-4,Ethyldimethyltetradecylammonium bromide,"N-ethyl-N,N-dimethyltetradecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCC[N+](C)(C)CC,[Br-].CCCCCCCCCCCCCC[N+](C)(C)CC,"InChI=1/C18H40N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)6-2;/h5-18H2,1-4H3;1H/q+1;/p-1",C18H40N.Br,,,,,,ZDAHQDGJYAANRH-UHFFFAOYSA-M,,,,,,,,,,,
100.064.791,271-291-1,68527-98-0,Tris(4-nitro-m-tolyl) phosphate,tris(3-methyl-4-nitrophenyl) phosphate,Cc1cc(OP(=O)(Oc2ccc(c(C)c2)[N+](=O)[O-])Oc3ccc(c(C)c3)[N+](=O)[O-])ccc1[N+](=O)[O-],Cc1cc(OP(=O)(Oc2ccc(c(C)c2)[N+](=O)[O-])Oc3ccc(c(C)c3)[N+](=O)[O-])ccc1[N+](=O)[O-],"InChI=1/C21H18N3O10P/c1-13-10-16(4-7-19(13)22(25)26)32-35(31,33-17-5-8-20(23(27)28)14(2)11-17)34-18-6-9-21(24(29)30)15(3)12-18/h4-12H,1-3H3",C21H18N3O10P,,,,,,SNIKDGGXGSYRMO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.677,268-965-2,68155-51-1,"3,4-diisopropylphenyl diphenyl phosphate","3,4-diisopropylphenyl diphenyl phosphate",CC(C)c3cc(OP(=O)(Oc1ccccc1)Oc2ccccc2)ccc3C(C)C,CC(C)c3cc(OP(=O)(Oc1ccccc1)Oc2ccccc2)ccc3C(C)C,"InChI=1/C24H27O4P/c1-18(2)23-16-15-22(17-24(23)19(3)4)28-29(25,26-20-11-7-5-8-12-20)27-21-13-9-6-10-14-21/h5-19H,1-4H3",C24H27O4P,,,,,,CGYONFZXYNCFCN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.680,268-968-9,68155-57-7,N-(2-aminoethyl)-N-[2-(stearoylamino)ethyl]stearamide,N-(2-aminoethyl)-N-[2-(stearoylamino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H81N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-36-38-43(37-35-41)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38,41H2,1-2H3,(H,42,44)",C40H81N3O2,,,,,,SMLNXMNSNZBSKW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.684,268-973-6,68155-61-3,"Trisodium 4-amino-5-hydroxy-3-[[4-[[4-(phenylamino)-5-sulphonato-1-naphthyl]azo]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4-[(4-anilino-5-sulfonato-1-naphthyl)diazenyl]phenyl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc7c1c(Nc2ccccc2)ccc7N=Nc3ccc(cc3)N=Nc4c(N)c6c(cc4S([O-])(=O)=O)cc(c(N=Nc5ccccc5)c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc7c1c(Nc2ccccc2)ccc7N=Nc3ccc(cc3)N=Nc4c(N)c6c(cc4S([O-])(=O)=O)cc(c(N=Nc5ccccc5)c6O)S([O-])(=O)=O,"InChI=1/C38H28N8O10S3.3Na/c39-35-33-22(21-32(59(54,55)56)37(38(33)47)46-42-24-10-5-2-6-11-24)20-31(58(51,52)53)36(35)45-43-26-16-14-25(15-17-26)41-44-28-18-19-29(40-23-8-3-1-4-9-23)34-27(28)12-7-13-30(34)57(48,49)50;;;/h1-21,40,47H,39H2,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C38H28N8O10S3.3Na,,,,,,QAWLEODSWNERLS-UHFFFAOYSA-K,,,,,,,,,,,
100.062.688,268-977-8,68155-65-7,1-[6-methyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]propan-1-one,1-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]propan-1-one,CCC(=O)C1CC=C(CCC=C(C)C)CC1C,CCC(=O)C1CC=C(CCC=C(C)C)CC1C,"InChI=1/C16H26O/c1-5-16(17)15-10-9-14(11-13(15)4)8-6-7-12(2)3/h7,9,13,15H,5-6,8,10-11H2,1-4H3",C16H26O,,,,,,CWKCCNHFQBRJEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.692,268-982-5,68155-69-1,1-bromo-3-ethoxytoluene,"5-bromo-1-ethoxy-5-methylcyclohexa-1,3-diene",CCOC1=CC=CC(C)(Br)C1,CCOC1=CC=CC(C)(Br)C1,"InChI=1/C9H13BrO/c1-3-11-8-5-4-6-9(2,10)7-8/h4-6H,3,7H2,1-2H3",C9H11BrO,,,,,,VGKRHDPKJNVOIU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.698,268-988-8,68155-76-0,"2-chloro-N,N-diethylbenzene-1,4-diamine","2-chloro-N~1~,N~1~-diethylbenzene-1,4-diamine",CCN(CC)c1ccc(N)cc1Cl,CCN(CC)c1ccc(N)cc1Cl,"InChI=1/C10H15ClN2/c1-3-13(4-2)10-6-5-8(12)7-9(10)11/h5-7H,3-4,12H2,1-2H3",C10H15ClN2,,,,,,JLPRWBZGPHCRIH-UHFFFAOYSA-N,,,,,,,,,,,
100.064.808,271-310-3,68540-76-1,"5-chlorotoluene-2-diazonium chloride, compound with zinc chloride","5-chlorotoluene-2-diazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].Cc1cc(Cl)ccc1[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].Cc1cc(Cl)ccc1[N+]#N,"InChI=1/C7H6ClN2.3ClH.Zn/c1-5-4-6(8)2-3-7(5)10-9;;;;/h2-4H,1H3;3*1H;/q+1;;;;+2/p-3",C7H6ClN2.xCl2Zn.xCl,,,,,,ZNZJACYDHJUFFQ-UHFFFAOYSA-K,,,,,,,,,,,
100.090.674,299-788-9,93904-50-8,"Tetrahydro-2,6-dimethoxy-3-methyl-2H-pyran","2,6-dimethoxy-3-methyltetrahydro-2H-pyran",COC1CCC(C)C(OC)O1,COC1CCC(C)C(OC)O1,"InChI=1/C8H16O3/c1-6-4-5-7(9-2)11-8(6)10-3/h6-8H,4-5H2,1-3H3",C8H16O3,,,,,,BDZBKFMSKWKPJT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.676,299-791-5,93904-52-0,"1,1-dihydroxy-2,5,8-trioxa-1-phosphadecan-10-ol 1-oxide",2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate,OCCOCCOCCOP(=O)(O)O,OCCOCCOCCOP(=O)(O)O,"InChI=1/C6H15O7P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h7H,1-6H2,(H2,8,9,10)",C6H15O7P,,,,,,CJHGCXGTUHBMMH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.683,299-798-3,93904-59-7,"2-(6-methoxy-2,6-dimethylheptyl)-4,4,6-trimethyl-1,3-dioxane","2-(6-methoxy-2,6-dimethylheptyl)-4,4,6-trimethyl-1,3-dioxane",COC(C)(C)CCCC(C)CC1OC(C)CC(C)(C)O1,COC(C)(C)CCCC(C)CC1OC(C)CC(C)(C)O1,"InChI=1/C17H34O3/c1-13(9-8-10-16(3,4)18-7)11-15-19-14(2)12-17(5,6)20-15/h13-15H,8-12H2,1-7H3",C17H34O3,,,,,,VIAPDHDJLSUQKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.690,299-806-5,93904-66-6,"7-methoxy-3,3-dimethylindan-4-ol","7-methoxy-3,3-dimethylindan-4-ol",COc1ccc(O)c2c1CCC2(C)C,COc1ccc(O)c2c1CCC2(C)C,"InChI=1/C12H16O2/c1-12(2)7-6-8-10(14-3)5-4-9(13)11(8)12/h4-5,13H,6-7H2,1-3H3",C12H16O2,,,,,,CVXVMAKCTVIFGM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.694,299-810-7,93904-73-5,2-[2-(cyclohexylamino)-2-oxoethyl]icosenoic acid,2-[2-(cyclohexylamino)-2-oxoethyl]icos-2-enoic acid,O=C(NC1CCCCC1)CC(=CCCCCCCCCCCCCCCCCC)C(O)=O,O=C(NC1CCCCC1)CC(=CCCCCCCCCCCCCCCCCC)C(O)=O,"InChI=1/C28H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(28(31)32)24-27(30)29-26-22-19-17-20-23-26/h21,26H,2-20,22-24H2,1H3,(H,29,30)(H,31,32)",C28H51NO3,,,,,,QZAJAODKUPHNHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.698,299-814-9,93904-81-5,2-[2-[(3-morpholinopropyl)amino]-2-oxoethyl]tetradecenoic acid monohydrochloride,2-{2-[(3-morpholin-4-ylpropyl)amino]-2-oxoethyl}tetradec-2-enoic acid hydrochloride,Cl.OC(=O)C(=CCCCCCCCCCCC)CC(=O)NCCCN1CCOCC1,Cl.OC(=O)C(=CCCCCCCCCCCC)CC(=O)NCCCN1CCOCC1,"InChI=1/C23H42N2O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-21(23(27)28)20-22(26)24-14-12-15-25-16-18-29-19-17-25;/h13H,2-12,14-20H2,1H3,(H,24,26)(H,27,28);1H",C23H42N2O4.ClH,,,,,,IYWOJBWDYJMOGB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.901,301-137-1,93981-51-2,[3-(allyloxy)propyl]benzene,[3-(allyloxy)propyl]benzene,C=CCOCCCc1ccccc1,C=CCOCCCc1ccccc1,"InChI=1/C12H16O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2",C12H16O,,,,,,ZAJDPZZYLOEGDB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.926,301-164-9,93981-77-2,3-(acetoxy)propyl[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl]dimethylammonium chloride,"3-acetoxy-N-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCN(CC)c1ccc(\\C=C(/C#N)\\C(=O)OCC[N+](C)(C)CCCOC(=O)C)cc1,[Cl-].CCN(CC)c1ccc(\C=C(/C#N)\C(=O)OCC[N+](C)(C)CCCOC(=O)C)cc1,"InChI=1/C23H34N3O4.ClH/c1-6-25(7-2)22-11-9-20(10-12-22)17-21(18-24)23(28)30-16-14-26(4,5)13-8-15-29-19(3)27;/h9-12,17H,6-8,13-16H2,1-5H3;1H/q+1;/p-1",C23H34N3O4.Cl,,,,,,JXYWVALEZIFNOS-DIRYEVLESA-M,,,,,,,,,,,
100.088.790,297-716-0,93689-94-2,Sodium 6-acetamidonaphthalene-2-sulphonate,sodium 6-acetamidonaphthalene-2-sulfonate,[Na+].CC(=O)Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-],[Na+].CC(=O)Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-],"InChI=1/C12H11NO4S.Na/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11;/h2-7H,1H3,(H,13,14)(H,15,16,17);/q;+1/p-1",C12H11NO4S.Na,,,,,,VSOLYIGHKCMYQE-UHFFFAOYSA-M,,,,,,,,,,,
100.088.791,297-717-6,93721-24-5,"2,2'-[(p-tert-butylphenyl)imino]diethanol","2,2'-[(4-tert-butylphenyl)imino]diethanol",CC(C)(C)c1ccc(cc1)N(CCO)CCO,CC(C)(C)c1ccc(cc1)N(CCO)CCO,"InChI=1/C14H23NO2/c1-14(2,3)12-4-6-13(7-5-12)15(8-10-16)9-11-17/h4-7,16-17H,8-11H2,1-3H3",C14H23NO2,,,,,,IEXYKOLCMBHVMG-UHFFFAOYSA-N,,,,,,,,,,,
100.088.795,297-721-8,93762-08-4,4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-N-[2-(octyloxy)ethyl]aniline,4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-(octyloxy)ethyl]aniline,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOCCCCCCCC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOCCCCCCCC)[N+]([O-])=O,"InChI=1/C24H33ClN4O3/c1-3-5-6-7-8-9-17-32-18-16-28(4-2)21-12-10-20(11-13-21)26-27-24-15-14-22(29(30)31)19-23(24)25/h10-15,19H,3-9,16-18H2,1-2H3",C24H33ClN4O3,,,,,,MYASRARSLCURFM-UHFFFAOYSA-N,,,,,,,,,,,
100.088.796,297-722-3,93762-09-5,"1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propanesulphonic acid","1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid",OS(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OS(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C4HF9O3S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16/h(H,14,15,16)",C4HF9O3S,,,,,,GWJVUODILLGCGD-UHFFFAOYSA-N,,,,,,,,,,,
100.088.797,297-723-9,93762-10-8,"Potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propanesulphonate","potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate",[K+].[O-]S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[K+].[O-]S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C4HF9O3S.K/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1",C4HF9O3S.K,,,,,,KIAYLFPLRHWXFS-UHFFFAOYSA-M,,,,,,,,,,,
100.068.772,275-672-3,71607-28-8,Dipiperazinium sulphate,dipiperazin-1-ium sulfate,[O-]S(=O)(=O)[O-].C1C[NH2+]CCN1.C2C[NH2+]CCN2,[O-]S(=O)(=O)[O-].C1C[NH2+]CCN1.C2C[NH2+]CCN2,"InChI=1/2C4H10N2.H2O4S/c2*1-2-6-4-3-5-1;1-5(2,3)4/h2*5-6H,1-4H2;(H2,1,2,3,4)",C4H10N2.1/2H2O4S,,,,,,WKDROHPCPSLGLA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.773,275-673-9,71607-33-5,4'-methyl-4-(p-tolyl)butyrophenone,"1,4-bis(4-methylphenyl)butan-1-one",Cc1ccc(CCCC(=O)c2ccc(C)cc2)cc1,Cc1ccc(CCCC(=O)c2ccc(C)cc2)cc1,"InChI=1/C18H20O/c1-14-6-10-16(11-7-14)4-3-5-18(19)17-12-8-15(2)9-13-17/h6-13H,3-5H2,1-2H3",C18H20O,,,,,,WJZFUWHFSTYLIY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.776,275-677-0,71607-36-8,Ethyl 3-(formylamino)-3-oxopropionate,ethyl 3-formamido-3-oxopropanoate,CCOC(=O)CC(=O)NC=O,CCOC(=O)CC(=O)NC=O,"InChI=1/C6H9NO4/c1-2-11-6(10)3-5(9)7-4-8/h4H,2-3H2,1H3,(H,7,8,9)",C6H9NO4,,,,,,HAWZIBYXLZLPNW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.780,275-681-2,71607-40-4,"2-ethylhexyl 2,2,5-trimethylhexyl sebacate","2-ethylhexyl 2,2,5-trimethylhexyl sebacate",CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(C)(C)CCC(C)C,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(C)(C)CCC(C)C,"InChI=1/C27H52O4/c1-7-9-16-24(8-2)21-30-25(28)17-14-12-10-11-13-15-18-26(29)31-22-27(5,6)20-19-23(3)4/h23-24H,7-22H2,1-6H3",C27H52O4,,,,,,ZPVGSDRCZVNNAM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.785,275-687-5,71607-45-9,"N,N-diphenylacetamidine","N,N-diphenylethanimidamide",CC(=N)N(c1ccccc1)c2ccccc2,CC(=N)N(c1ccccc1)c2ccccc2,"InChI=1/C14H14N2/c1-12(15)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3",C14H14N2,,,,,,DXFZMBRFLWIORG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.790,275-692-2,71607-51-7,(4-methoxyphenyl)methyl heptanoate,4-methoxybenzyl heptanoate,CCCCCCC(=O)OCc1ccc(OC)cc1,CCCCCCC(=O)OCc1ccc(OC)cc1,"InChI=1/C15H22O3/c1-3-4-5-6-7-15(16)18-12-13-8-10-14(17-2)11-9-13/h8-11H,3-7,12H2,1-2H3",C15H22O3,,,,,,WXFXWKOGMWSKOV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.791,275-693-8,71607-52-8,3-phenylallyl heptanoate,3-phenylprop-2-en-1-yl heptanoate,CCCCCCC(=O)OC\\C=C\\c1ccccc1,CCCCCCC(=O)OC\C=C\c1ccccc1,"InChI=1/C16H22O2/c1-2-3-4-8-13-16(17)18-14-9-12-15-10-6-5-7-11-15/h5-7,9-12H,2-4,8,13-14H2,1H3",C16H22O2,,,,,,HVSYFKKRNSYXHZ-FMIVXFBMSA-N,,,,,,,,,,,
100.068.794,275-696-4,71613-81-5,Diphenylmethyl (6R-trans)-7-amino-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride,diphenylmethyl 7-amino-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride,Cl.COC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OC(c3ccccc3)c4ccccc4,Cl.COC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OC(c3ccccc3)c4ccccc4,"InChI=1/C21H20N2O4S.ClH/c1-26-15-12-28-20-16(22)19(24)23(20)17(15)21(25)27-18(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,16,18,20H,12,22H2,1H3;1H",C21H20N2O4S.ClH,,,,,,OIVHUILIEOUDTL-XXRBRTKDSA-N,,,,,,,,,,,
100.068.795,275-698-5,71617-07-7,Allyl hexadienoate,"allyl hexa-2,4-dienoate",C=CCOC(=O)C=CC=CC,C=CCOC(=O)C=CC=CC,"InChI=1/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3",C9H12O2,,,,,,CVNZYQJBZIJLCL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.798,275-702-5,71617-10-2,Isopentyl p-methoxycinnamate,3-methylbutyl 3-(4-methoxyphenyl)acrylate,COc1ccc(\\C=C\\C(=O)OCCC(C)C)cc1,COc1ccc(\C=C\C(=O)OCCC(C)C)cc1,"InChI=1/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3",C15H20O3,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12224,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.798,UBNYRXMKIIGMKK-RMKNXTFCSA-N,,,,,,,,,,,
100.068.807,275-711-4,71617-19-1,1-[methyl(1-methylethyl)phenyl]ethan-1-one,1-(3-isopropyl-2-methylphenyl)ethanone,CC(C)c1cccc(C(C)=O)c1C,CC(C)c1cccc(C(C)=O)c1C,"InChI=1/C12H16O/c1-8(2)11-6-5-7-12(9(11)3)10(4)13/h5-8H,1-4H3",C12H16O,,,,,,JLLXEKLLHLQJGA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.808,275-713-5,71617-20-4,1-benzyl-4-hydroxypiperidine-4-carbonitrile monohydrochloride,1-benzyl-4-hydroxypiperidine-4-carbonitrile hydrochloride,Cl.OC1(CCN(Cc2ccccc2)CC1)C#N,Cl.OC1(CCN(Cc2ccccc2)CC1)C#N,"InChI=1/C13H16N2O.ClH/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;/h1-5,16H,6-10H2;1H",C13H16N2O.ClH,,,,,,BFCODNKBFLYVOU-UHFFFAOYSA-N,,,,,,,,,,,
100.064.156,270-594-6,68444-34-8,"2,2'-oxybis(methylethyl) dioctanoate","oxydipropane-1,2-diyl dioctanoate",CCCCCCCC(=O)OC(C)COCC(C)OC(=O)CCCCCCC,CCCCCCCC(=O)OC(C)COCC(C)OC(=O)CCCCCCC,"InChI=1/C22H42O5/c1-5-7-9-11-13-15-21(23)26-19(3)17-25-18-20(4)27-22(24)16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3",C22H42O5,,,,,,RHRLCJQIBMRCGA-UHFFFAOYSA-N,,,,,,,,,,,
100.064.157,270-595-1,68444-35-9,"2,2'-oxybis(methylethyl) bisheptanoate","oxydipropane-1,2-diyl diheptanoate",CCCCCCC(=O)OC(C)COCC(C)OC(=O)CCCCCC,CCCCCCC(=O)OC(C)COCC(C)OC(=O)CCCCCC,"InChI=1/C20H38O5/c1-5-7-9-11-13-19(21)24-17(3)15-23-16-18(4)25-20(22)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3",C20H38O5,,,,,,ZSLIFBJQSGBWAD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.179,270-619-0,68459-81-4,1-sec-butyl-3-nitrobenzene,1-sec-butyl-3-nitrobenzene,CCC(C)c1cccc(c1)[N+](=O)[O-],CCC(C)c1cccc(c1)[N+](=O)[O-],"InChI=1/C10H13NO2/c1-3-8(2)9-5-4-6-10(7-9)11(12)13/h4-8H,3H2,1-2H3",C10H13NO2,,,,,,XOLORNDFLIOCMW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.481,299-576-6,93892-88-7,"Pentadecapotassium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","pentadecapotassium hydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.15K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;/q;15*+1/p-16",C18H52N6O24P8.15K,,,,,,SKDSBFFYFBGGKG-UHFFFAOYSA-A,,,,,,,,,,,
100.093.333,302-714-0,94133-53-6,Methyl (E)-2-decen-4-ynoate,methyl dec-2-en-4-ynoate,CCCCCC#C\\C=C\\C(=O)OC,CCCCCC#C\C=C\C(=O)OC,"InChI=1/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-6H2,1-2H3",C11H16O2,,,,,,FNVRFNHQECKJHC-MDZDMXLPSA-N,,,,,,,,,,,
100.093.334,302-715-6,94133-54-7,"(2E,6Z)-dodeca-2,6-dienol","dodeca-2,6-dien-1-ol",CCCCC\\C=C/CC\\C=C\\CO,CCCCC\C=C/CC\C=C\CO,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3",C12H22O,,,,,,UFPCISMLRCAWMQ-JFEAUALZSA-N,,,,,,,,,,,
100.093.336,302-717-7,94133-56-9,2-methylpent-2-enyl isobutyrate,2-methylpent-2-en-1-yl 2-methylpropanoate,CCC=C(C)COC(=O)C(C)C,CCC=C(C)COC(=O)C(C)C,"InChI=1/C10H18O2/c1-5-6-9(4)7-12-10(11)8(2)3/h6,8H,5,7H2,1-4H3",C10H18O2,,,,,,OVNNCFCHTKRDGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.337,302-718-2,94133-57-0,"(Z,E)-deca-2,4-dienyl isobutyrate","deca-2,4-dien-1-yl 2-methylpropanoate",CC(C)C(=O)OCC=CC=CCCCCC,CC(C)C(=O)OCC=CC=CCCCCC,"InChI=1/C14H24O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h8-11,13H,4-7,12H2,1-3H3",C14H24O2,,,,,,PKPNQPCVKDGGPU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.344,302-726-6,94133-64-9,"2-[2-amino-4-(trifluoromethyl)phenyl]-3-(2,4-dichlorophenyl)acrylic acid","2-[2-amino-4-(trifluoromethyl)phenyl]-3-(2,4-dichlorophenyl)acrylic acid",Nc1cc(ccc1\\C(=C\\c2ccc(Cl)cc2Cl)\\C(=O)O)C(F)(F)F,Nc1cc(ccc1\C(=C\c2ccc(Cl)cc2Cl)\C(=O)O)C(F)(F)F,"InChI=1/C16H10Cl2F3NO2/c17-10-3-1-8(13(18)7-10)5-12(15(23)24)11-4-2-9(6-14(11)22)16(19,20)21/h1-7H,22H2,(H,23,24)",C16H10Cl2F3NO2,,,,,,HLPCUGIVUZTSQH-XGICHPGQSA-N,,,,,,,,,,,
100.093.346,302-728-7,94133-66-1,"1,3-dichloro-9-methyl-6-(trifluoromethyl)phenanthrene","1,3-dichloro-9-methyl-6-(trifluoromethyl)phenanthrene",Cc1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,Cc1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C16H9Cl2F3/c1-8-4-14-13(6-10(17)7-15(14)18)12-5-9(16(19,20)21)2-3-11(8)12/h2-7H,1H3",C16H9Cl2F3,,,,,,BDHXSUNSZPJEMF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.351,302-733-4,94133-71-8,"1-acetyl-4-[4-(2,3-dihydroxypropoxy)phenyl]piperazine","3-[4-(4-acetylpiperazin-1-yl)phenoxy]propane-1,2-diol",CC(=O)N1CCN(CC1)c2ccc(OCC(O)CO)cc2,CC(=O)N1CCN(CC1)c2ccc(OCC(O)CO)cc2,"InChI=1/C15H22N2O4/c1-12(19)16-6-8-17(9-7-16)13-2-4-15(5-3-13)21-11-14(20)10-18/h2-5,14,18,20H,6-11H2,1H3",C15H22N2O4,,,,,,RSNPJZUMLUAMBE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.363,302-747-0,94133-83-2,Trimethyl[3-[(2-methyl-1-oxoallyl)amino]propyl]ammonium hydrogen sulphate,"3-(methacryloylamino)-N,N,N-trimethylpropan-1-aminium hydrogen sulfate",CC(=C)C(=O)NCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-],CC(=C)C(=O)NCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-],"InChI=1/C10H20N2O.H2O4S/c1-9(2)10(13)11-7-6-8-12(3,4)5;1-5(2,3)4/h1,6-8H2,2-5H3;(H2,1,2,3,4)/p-1",C10H21N2O.HO4S,,,,,,DPNODRMISYMYPT-UHFFFAOYSA-M,,,,,,,,,,,
100.093.366,302-750-7,94133-86-5,"3,5,5-trimethylhexyl oleate","3,5,5-trimethylhexyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCCC(C)CC(C)(C)C,CCCCCCCC\C=C/CCCCCCCC(=O)OCCC(C)CC(C)(C)C,"InChI=1/C27H52O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)29-23-22-25(2)24-27(3,4)5/h13-14,25H,6-12,15-24H2,1-5H3",C27H52O2,,,,,,NDUUAOMVVPFOQX-YPKPFQOOSA-N,,,,,,,,,,,
100.093.370,302-754-9,94133-90-1,Sodium 3-[[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulphonyl]amino]-2-hydroxypropanesulphonate,sodium 3-{[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulfonyl]amino}-2-hydroxypropane-1-sulfonate,[Na+].CN(C)CCCN(CC(O)CS(=O)(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].CN(C)CCCN(CC(O)CS(=O)(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H19F17N2O6S2.Na/c1-34(2)4-3-5-35(6-8(36)7-42(37,38)39)43(40,41)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31;/h8,36H,3-7H2,1-2H3,(H,37,38,39);/q;+1/p-1",C16H19F17N2O6S2.Na,,,,,,WALPFEROPZNJCB-UHFFFAOYSA-M,,,,,,,,,,,
100.089.010,297-957-1,93776-29-5,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] hydrogen phosphate","bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C34H9F62O4P/c35-5(36,9(41,42)13(49,50)17(57,58)21(65,66)25(73,74)29(81,82)27(77,78)23(69,70)19(61,62)15(53,54)11(45,46)7(39,31(85,86)87)32(88,89)90)1-3-99-101(97,98)100-4-2-6(37,38)10(43,44)14(51,52)18(59,60)22(67,68)26(75,76)30(83,84)28(79,80)24(71,72)20(63,64)16(55,56)12(47,48)8(40,33(91,92)93)34(94,95)96/h1-4H2,(H,97,98)",C34H9F62O4P,,,,,,VTOKHKRGJLAVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.064.809,271-311-9,68540-77-2,"9,10-dihydro-9,10-dioxoanthracene-1-diazonium chloride, compound with zinc dichloride","9,10-dihydro-9,10-dioxoanthracene-1-diazonium chloride, compound with zinc dichloride",[Cl-].[Cl-].[Cl-].[Zn+2].O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,InChI=1/C14H7N2O2.3ClH.Zn/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;;;;/h1-7H;3*1H;/q+1;;;;+2/p-3,C14H7N2O2.xCl2Zn.xCl,,,,,,NOCUKRVEIPGWDI-UHFFFAOYSA-K,,,,,,,,,,,
100.064.811,271-314-5,68540-79-4,N-[5-[(butylamino)sulphonyl]-2-methoxyphenyl]acetamide,N-[5-(butylsulfamoyl)-2-methoxyphenyl]acetamide,CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)C)c1,CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)C)c1,"InChI=1/C13H20N2O4S/c1-4-5-8-14-20(17,18)11-6-7-13(19-3)12(9-11)15-10(2)16/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)",C13H20N2O4S,,,,,,BVTDOTROSKUSHO-UHFFFAOYSA-N,,,,,,,,,,,
100.064.814,271-317-1,68540-82-9,"2-methoxy-4-nitrobenzenediazonium chloride, compound with zinc chloride","2-methoxy-4-nitrobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].COc1cc(ccc1[N+]#N)[N+](=O)[O-],[Cl-].[Cl-].[Cl-].[Zn+2].COc1cc(ccc1[N+]#N)[N+](=O)[O-],"InChI=1/C7H6N3O3.3ClH.Zn/c1-13-7-4-5(10(11)12)2-3-6(7)9-8;;;;/h2-4H,1H3;3*1H;/q+1;;;;+2/p-3",C7H6N3O3.xCl2Zn.xCl,,,,,,MAIIZTBSYCACDK-UHFFFAOYSA-K,,,,,,,,,,,
100.064.825,271-329-7,68540-96-5,"5-carbamoyl-2-methoxybenzenediazonium chloride, compound with zinc chloride","5-carbamoyl-2-methoxybenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].COc1ccc(cc1[N+]#N)C(=O)N,[Cl-].[Cl-].[Cl-].[Zn+2].COc1ccc(cc1[N+]#N)C(=O)N,"InChI=1/C8H7N3O2.3ClH.Zn/c1-13-7-3-2-5(8(9)12)4-6(7)11-10;;;;/h2-4H,1H3,(H-,9,12);3*1H;/q;;;;+2/p-2",C8H8N3O2.xCl2Zn.xCl,,,,,,KQYNZGGMBPIQGA-UHFFFAOYSA-L,,,,,,,,,,,
100.064.827,271-331-8,68540-98-7,N-[3-[[2-(2-cyanoethoxy)ethyl]amino]-4-methoxyphenyl]propionamide,N-(3-{[2-(2-cyanoethoxy)ethyl]amino}-4-methoxyphenyl)propanamide,CCC(=O)Nc1ccc(OC)c(NCCOCCC#N)c1,CCC(=O)Nc1ccc(OC)c(NCCOCCC#N)c1,"InChI=1/C15H21N3O3/c1-3-15(19)18-12-5-6-14(20-2)13(11-12)17-8-10-21-9-4-7-16/h5-6,11,17H,3-4,8-10H2,1-2H3,(H,18,19)",C15H21N3O3,,,,,,CJDQTKFXDAUJHA-UHFFFAOYSA-N,,,,,,,,,,,
100.064.830,271-334-4,68541-02-6,"Potassium 2,3,4,5-tetrachloro-6-[[[3-[[(undecafluoropentyl)sulphonyl]oxy]phenyl]amino]carbonyl]benzoate","potassium 2,3,4,5-tetrachloro-6-[(3-{[(undecafluoropentyl)sulfonyl]oxy}phenyl)carbamoyl]benzoate",[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,"InChI=1/C19H6Cl4F11NO6S.K/c20-9-7(8(14(37)38)10(21)12(23)11(9)22)13(36)35-5-2-1-3-6(4-5)41-42(39,40)19(33,34)17(28,29)15(24,25)16(26,27)18(30,31)32;/h1-4H,(H,35,36)(H,37,38);/q;+1/p-1",C19H6Cl4F11NO6S.K,,,,,,VZVBVGFCRFYOSX-UHFFFAOYSA-M,,,,,,,,,,,
100.086.549,295-246-0,91967-51-0,o-isobutylanisole,1-isobutyl-2-methoxybenzene,COc1ccccc1CC(C)C,COc1ccccc1CC(C)C,"InChI=1/C11H16O/c1-9(2)8-10-6-4-5-7-11(10)12-3/h4-7,9H,8H2,1-3H3",C11H16O,,,,,,WROWBVQEHWPHIT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.711,269-002-9,68156-07-0,Potassium decafluoro(trifluoromethyl)cyclohexanesulphonate,"potassium 1,2,2,3,3,4,4,5,5,6-decafluoro-6-(trifluoromethyl)cyclohexanesulfonate",[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F,[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F,"InChI=1/C7HF13O3S.K/c8-1(7(18,19)20)2(9,10)3(11,12)4(13,14)5(15,16)6(1,17)24(21,22)23;/h(H,21,22,23);/q;+1/p-1",C7HF13O3S.K,,,,,,IJSYGSDZXFGSHU-UHFFFAOYSA-M,,,,,,,,,,,
100.062.718,269-010-2,68162-29-8,"2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium","4-{5,6-dichloro-3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-2,3-dihydro-1H-benzimidazol-1-yl}butane-1-sulfonate",[O-]S(=O)(=O)CCCCN3c4cc(Cl)c(Cl)cc4N(CC)C3=CC=Cc2oc1ccccc1[n+]2CC,[O-]S(=O)(=O)CCCCN3c4cc(Cl)c(Cl)cc4N(CC)C3=CC=Cc2oc1ccccc1[n+]2CC,"InChI=1/C25H27Cl2N3O4S/c1-3-28-21-16-18(26)19(27)17-22(21)30(14-7-8-15-35(31,32)33)24(28)12-9-13-25-29(4-2)20-10-5-6-11-23(20)34-25/h5-6,9-13,16-17H,3-4,7-8,14-15H2,1-2H3",C25H27Cl2N3O4S,,,,,,ZGMJSLOKTMOPIY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.735,269-029-6,68171-52-8,"(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dien-1-amide","N-(2-hydroxyethyl)octadeca-9,12-dienamide",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)NCCO,CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCO,"InChI=1/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)",C20H37NO2,,,,,,KQXDGUVSAAQARU-HZJYTTRNSA-N,,,,,,,,,,,
100.062.739,269-033-8,68171-61-9,Calcium 12-(acetoxy)octadecanoate,calcium bis(12-acetoxyoctadecanoate),[Ca+2].CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C.CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C,[Ca+2].CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C.CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C,"InChI=1/2C20H38O4.Ca/c2*1-3-4-5-12-15-19(24-18(2)21)16-13-10-8-6-7-9-11-14-17-20(22)23;/h2*19H,3-17H2,1-2H3,(H,22,23);/q;;+2/p-2",C20H38O4.1/2Ca,,,,,,OELKSGXMBPJHFW-UHFFFAOYSA-L,,,,,,,,,,,
100.062.744,269-039-0,68186-38-9,"1-Eicosanol, phosphate, sodium salt",-,[Na+].CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[Na+].CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C20H43O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H2,21,22,23);/q;+1/p-2",-,,,,,,QCEJZYQGFKCJPX-UHFFFAOYSA-L,,,,,,,,,,,
100.088.798,297-724-4,93762-11-9,"1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulphonamide","1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide",CN(CCO)S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CN(CCO)S(=O)(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)4(8,5(9,10)11)6(12,13)14/h18H,2-3H2,1H3",C7H8F9NO3S,,,,,,BMUYUEMLIWGNHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.088.800,297-727-0,93762-13-1,"Bis(3,5,5-trimethylhexyl) succinate","bis(3,5,5-trimethylhexyl) succinate",CC(CCOC(=O)CCC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOC(=O)CCC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C22H42O4/c1-17(15-21(3,4)5)11-13-25-19(23)9-10-20(24)26-14-12-18(2)16-22(6,7)8/h17-18H,9-16H2,1-8H3",C22H42O4,,,,,,VUPPMERFDOUARD-UHFFFAOYSA-N,,,,,,,,,,,
100.088.802,297-729-1,93762-15-3,2-acetyl-4-hydroxy-3-methoxybenzoic acid,2-acetyl-4-hydroxy-3-methoxybenzoic acid,COc1c(O)ccc(C(=O)O)c1C(=O)C,COc1c(O)ccc(C(=O)O)c1C(=O)C,"InChI=1/C10H10O5/c1-5(11)8-6(10(13)14)3-4-7(12)9(8)15-2/h3-4,12H,1-2H3,(H,13,14)",C10H10O5,,,,,,GMYHGDFFXVALJH-UHFFFAOYSA-N,,,,,,,,,,,
100.088.806,297-733-3,93762-20-0,(2-hydroxypropyl)methyldi(octadecyl)ammonium methyl sulphate,N-(2-hydroxypropyl)-N-methyl-N-octadecyloctadecan-1-aminium methyl sulfate,CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(C)O.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(C)O.COS(=O)(=O)[O-],"InChI=1/C40H84NO.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(4,39-40(3)42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h40,42H,5-39H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C40H84NO.CH3O4S,,,,,,JZUPSDSVFJCJBE-UHFFFAOYSA-M,,,,,,,,,,,
100.088.812,297-740-1,93762-26-6,Tridecyl hydrogen 2-butenedioate,4-oxo-4-(tridecyloxy)but-2-enoic acid,OC(=O)C=CC(=O)OCCCCCCCCCCCCC,OC(=O)C=CC(=O)OCCCCCCCCCCCCC,"InChI=1/C17H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-17(20)14-13-16(18)19/h13-14H,2-12,15H2,1H3,(H,18,19)",C17H30O4,,,,,,FGACNJFGXDUISO-UHFFFAOYSA-N,,,,,,,,,,,
100.088.815,297-743-8,93762-30-2,"1-ethyl-2-henicosyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate",1-ethyl-2-henicosyl-3-(2-hydroxyethyl)imidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],"InChI=1/C28H58N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-29(4-2)24-25-30(28)26-27-31;1-2-6-7(3,4)5/h28,31H,3-27H2,1-2H3;2H2,1H3,(H,3,4,5)",C28H57N2O.C2H5O4S,,,,,,IUEAAJDHCYPBCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.714,299-832-7,93904-97-3,Sodium hydroxydinonylbenzenesulphonate,"sodium 2-hydroxy-3,4-dinonylbenzenesulfonate",[Na+].CCCCCCCCCc1ccc(c(O)c1CCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCc1ccc(c(O)c1CCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C24H42O4S.Na/c1-3-5-7-9-11-13-15-17-21-19-20-23(29(26,27)28)24(25)22(21)18-16-14-12-10-8-6-4-2;/h19-20,25H,3-18H2,1-2H3,(H,26,27,28);/q;+1/p-1",C24H42O4S.Na,,,,,,MNNQQGJPLGSNCF-UHFFFAOYSA-M,,,,,,,,,,,
100.090.716,299-834-8,93904-99-5,"2-(dimethylheptyl)-4,5-dihydro-1H-imidazole-1-ethanol","2-[2-(1,1-dimethylheptyl)-4,5-dihydro-1H-imidazol-1-yl]ethanol",CCCCCCC(C)(C)C1=NCCN1CCO,CCCCCCC(C)(C)C1=NCCN1CCO,"InChI=1/C14H28N2O/c1-4-5-6-7-8-14(2,3)13-15-9-10-16(13)11-12-17/h17H,4-12H2,1-3H3",C14H28N2O,,,,,,RGSKVIGUZKNKTI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.718,299-836-9,93905-02-3,"2-(dimethylheptyl)-1-ethyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate","2-(1,1-dimethylheptyl)-1-ethyl-3-(2-hydroxyethyl)imidazolidin-1-ium ethyl sulfate",CCCCCCC(C)(C)C1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],CCCCCCC(C)(C)C1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],"InChI=1/C16H34N2O.C2H6O4S/c1-5-7-8-9-10-16(3,4)15-17(6-2)11-12-18(15)13-14-19;1-2-6-7(3,4)5/h15,19H,5-14H2,1-4H3;2H2,1H3,(H,3,4,5)",C16H33N2O.C2H5O4S,,,,,,TZZSYQPSZZGWFO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.719,299-837-4,93905-03-4,Isopropylmethoxypyrazine,2-isobutoxypyrazine,CC(C)COc1cnccn1,CC(C)COc1cnccn1,"InChI=1/C8H12N2O/c1-7(2)6-11-8-5-9-3-4-10-8/h3-5,7H,6H2,1-2H3",C8H12N2O,,,,,,QTGLHXAZBOTUIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.726,299-845-8,93917-67-0,"a,<U+03B3>,<U+03B3>-trimethylcyclohexylpropyl acetate","1,3,3-tris(1-methylcyclohexyl)propyl acetate",CC(=O)OC(CC(C1(C)CCCCC1)C2(C)CCCCC2)C3(C)CCCCC3,CC(=O)OC(CC(C1(C)CCCCC1)C2(C)CCCCC2)C3(C)CCCCC3,"InChI=1/C26H46O2/c1-21(27)28-23(26(4)18-12-7-13-19-26)20-22(24(2)14-8-5-9-15-24)25(3)16-10-6-11-17-25/h22-23H,5-20H2,1-4H3",C14H26O2,,,,,,QXMVXCHPXAARQG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.728,299-847-9,93917-69-2,2-methyl-4-oxo-4H-pyran-3-yl 3-methyl-2-butenoate,2-methyl-4-oxo-4H-pyran-3-yl 3-methylbut-2-enoate,CC(=CC(=O)OC1=C(C)OC=CC1=O)C,CC(=CC(=O)OC1=C(C)OC=CC1=O)C,"InChI=1/C11H12O4/c1-7(2)6-10(13)15-11-8(3)14-5-4-9(11)12/h4-6H,1-3H3",C11H12O4,,,,,,RGFWHIQAWJMOBE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.736,299-856-8,93917-77-2,3-(dichloroethylsilyl)propylamine,3-[dichloro(ethyl)silyl]propan-1-amine,CC[Si](Cl)(Cl)CCCN,CC[Si](Cl)(Cl)CCCN,"InChI=1/C5H13Cl2NSi/c1-2-9(6,7)5-3-4-8/h2-5,8H2,1H3",C5H13Cl2NSi,,,,,,NEESUDGGMYDIKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.742,299-863-6,93917-83-0,"Dodecane-1-thiol, silver salt",-,[Ag+].CCCCCCCCCCCCS,[Ag+].CCCCCCCCCCCCS,"InChI=1/C12H26S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;/q;+1",C12H26S.xAg,,,,,,OMOBEQBCAKHIKV-UHFFFAOYSA-N,,,,,,,,,,,
100.064.180,270-620-6,68459-83-6,[2-[(2-aminoethyl)amino]ethyl](2-carboxyethyl)(ethyl)(stearoyl)ammonium ethyl sulphate,N-{2-[(2-aminoethyl)amino]ethyl}-N-(2-carboxyethyl)-N-ethyl-1-oxooctadecan-1-aminium ethyl sulfate,CCCCCCCCCCCCCCCCCC(=O)[N+](CC)(CCNCCN)CCC(=O)O.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)[N+](CC)(CCNCCN)CCC(=O)O.CCOS(=O)(=O)[O-],"InChI=1/C27H55N3O3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31)30(4-2,24-20-27(32)33)25-23-29-22-21-28;1-2-6-7(3,4)5/h29H,3-25,28H2,1-2H3;2H2,1H3,(H,3,4,5)",C27H56N3O3.C2H5O4S,,,,,,BWXUWFRLHCHAHX-UHFFFAOYSA-N,,,,,,,,,,,
100.064.181,270-621-1,68459-95-0,"2,4-bis(isopropyl)benzaldehyde","2,4-diisopropylbenzaldehyde",CC(C)c1ccc(C=O)c(c1)C(C)C,CC(C)c1ccc(C=O)c(c1)C(C)C,"InChI=1/C13H18O/c1-9(2)11-5-6-12(8-14)13(7-11)10(3)4/h5-10H,1-4H3",C13H18O,,,,,,BKKSNSNLVYSDPD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.188,270-629-5,68460-07-1,"Disodium 4-amino-3-[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4-[(2-amino-4-hydroxyphenyl)diazenyl]phenyl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Nc5cc(O)ccc5N=Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4,[Na+].[Na+].Nc5cc(O)ccc5N=Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4,"InChI=1/C28H22N8O8S2.2Na/c29-20-14-19(37)10-11-21(20)34-31-17-6-8-18(9-7-17)33-35-26-22(45(39,40)41)12-15-13-23(46(42,43)44)27(28(38)24(15)25(26)30)36-32-16-4-2-1-3-5-16;;/h1-14,37-38H,29-30H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C28H22N8O8S2.2Na,,,,,,NNCWRSDTNARKSA-UHFFFAOYSA-L,,,,,,,,,,,
100.065.974,272-593-6,68892-05-7,"3,7-dimethylocta-2,6-dienyl undec-10-enoate","3,7-dimethylocta-2,6-dien-1-yl undec-10-enoate",C/C(C)=C\\CCC(C)=CCOC(=O)CCCCCCCCC=C,C/C(C)=C\CCC(C)=CCOC(=O)CCCCCCCCC=C,"InChI=1/C21H36O2/c1-5-6-7-8-9-10-11-12-16-21(22)23-18-17-20(4)15-13-14-19(2)3/h5,14,17H,1,6-13,15-16,18H2,2-4H3",C21H36O2,,,,,,LUZKKLNTWSGPEE-UHFFFAOYSA-N,,,,,,,,,,,
100.065.979,272-598-3,68892-12-6,2-[[ethyl(p-tolyl)amino]methyl]benzenesulphonic acid,2-{[ethyl(4-methylphenyl)amino]methyl}benzenesulfonic acid,CCN(Cc1ccccc1S(=O)(=O)O)c2ccc(C)cc2,CCN(Cc1ccccc1S(=O)(=O)O)c2ccc(C)cc2,"InChI=1/C16H19NO3S/c1-3-17(15-10-8-13(2)9-11-15)12-14-6-4-5-7-16(14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)",C16H19NO3S,,,,,,AZZQAPYMGOBFPP-UHFFFAOYSA-N,,,,,,,,,,,
100.065.980,272-599-9,68892-13-7,"1-phenyldecane-1,3-dione","1-phenyldecane-1,3-dione",CCCCCCCC(=O)CC(=O)c1ccccc1,CCCCCCCC(=O)CC(=O)c1ccccc1,"InChI=1/C16H22O2/c1-2-3-4-5-9-12-15(17)13-16(18)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3",C16H22O2,,,,,,IFQULAPKPYIHBS-UHFFFAOYSA-N,,,,,,,,,,,
100.065.988,272-608-6,68892-24-0,(Z)-pent-1-enyldipropylaluminium,pent-1-en-1-yl(dipropyl)aluminum,CCC\\C=C/[Al](CCC)CCC,CCC\C=C/[Al](CCC)CCC,"InChI=1/C5H9.2C3H7.Al/c1-3-5-4-2;2*1-3-2;/h1,3H,4-5H2,2H3;2*1,3H2,2H3;/rC11H23Al/c1-4-7-8-11-12(9-5-2)10-6-3/h8,11H,4-7,9-10H2,1-3H3",C11H23Al,,,,,,KWBNSIPWTCSVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.065.989,272-609-1,68892-25-1,"(E)-3,7-dimethyloct-4-en-3-ol","3,7-dimethyloct-4-en-3-ol",CCC(C)(O)\\C=C\\CC(C)C,CCC(C)(O)\C=C\CC(C)C,"InChI=1/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h6,8-9,11H,5,7H2,1-4H3",C10H20O,,,,,,DWBBJBOPPLCNKD-SOFGYWHQSA-N,,,,,,,,,,,
100.065.992,272-612-8,68892-28-4,"2-(1,2-dimethylpropyl)anthraquinone","2-(1,2-dimethylpropyl)-9,10-anthraquinone",CC(C)C(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1,CC(C)C(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C19H18O2/c1-11(2)12(3)13-8-9-16-17(10-13)19(21)15-7-5-4-6-14(15)18(16)20/h4-12H,1-3H3",C19H18O2,,,,,,GCXJNBMVOYFNMN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.668,274-458-7,70224-87-2,"Sodium [[9,10-dihydro-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]methoxytoluenesulphonate","sodium 2-({[4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}methoxy)-6-methylbenzenesulfonate",[Na+].CC(C)Nc1ccc(NCOc2cccc(C)c2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13,[Na+].CC(C)Nc1ccc(NCOc2cccc(C)c2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C25H24N2O6S.Na/c1-14(2)27-19-12-11-18(21-22(19)24(29)17-9-5-4-8-16(17)23(21)28)26-13-33-20-10-6-7-15(3)25(20)34(30,31)32;/h4-12,14,26-27H,13H2,1-3H3,(H,30,31,32);/q;+1/p-1",C25H24N2O6S.Na,,,,,,RQORFSZVYNKKAC-UHFFFAOYSA-M,,,,,,,,,,,
100.067.669,274-459-2,70224-88-3,"Sodium [3-[[9,10-dihydro-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]butyl]benzenesulphonate","sodium 2-(3-{[4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}butyl)benzenesulfonate",[Na+].CC(C)Nc1ccc(NC(C)CCc2ccccc2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13,[Na+].CC(C)Nc1ccc(NC(C)CCc2ccccc2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13,"InChI=1/C27H28N2O5S.Na/c1-16(2)28-21-14-15-22(25-24(21)26(30)19-9-5-6-10-20(19)27(25)31)29-17(3)12-13-18-8-4-7-11-23(18)35(32,33)34;/h4-11,14-17,28-29H,12-13H2,1-3H3,(H,32,33,34);/q;+1/p-1",C27H28N2O5S.Na,,,,,,ILPBZLYLCPDREW-UHFFFAOYSA-M,,,,,,,,,,,
100.067.681,274-472-3,70236-38-3,"Sodium a-(acryloylamino)-[4-[[9,10-dihydro-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]phenoxy]toluenesulphonate","sodium 2-[(acryloylamino)methyl]-6-(4-{[4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}phenoxy)benzenesulfonate",[Na+].CC(C)Nc1ccc(Nc2ccc(Oc3cccc(CNC(=O)C=C)c3S(=O)(=O)[O-])cc2)c4C(=O)c5ccccc5C(=O)c14,[Na+].CC(C)Nc1ccc(Nc2ccc(Oc3cccc(CNC(=O)C=C)c3S(=O)(=O)[O-])cc2)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C33H29N3O7S.Na/c1-4-28(37)34-18-20-8-7-11-27(33(20)44(40,41)42)43-22-14-12-21(13-15-22)36-26-17-16-25(35-19(2)3)29-30(26)32(39)24-10-6-5-9-23(24)31(29)38;/h4-17,19,35-36H,1,18H2,2-3H3,(H,34,37)(H,40,41,42);/q;+1/p-1",C33H29N3O7S.Na,,,,,,ZKCKMKNDEZOBMH-UHFFFAOYSA-M,,,,,,,,,,,
100.089.026,297-976-5,93776-46-6,Didocosyl hydrogen citrate,5-(docosyloxy)-3-[(docosyloxy)carbonyl]-3-hydroxy-5-oxopentanoic acid,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C50H96O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-56-48(53)46-50(55,45-47(51)52)49(54)57-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h55H,3-46H2,1-2H3,(H,51,52)",C50H96O7,,,,,,GAPKKWUPBDRGSG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.027,297-977-0,93776-47-7,"Ditetradecyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate",3-hydroxy-5-oxo-5-(tetradecyloxy)-3-[(tetradecyloxy)carbonyl]pentanoic acid,CCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)OCCCCCCCCCCCCCC,"InChI=1/C34H64O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-40-32(37)30-34(39,29-31(35)36)33(38)41-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-30H2,1-2H3,(H,35,36)",C34H64O7,,,,,,LRDZHQNYGXJJTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.252,299-325-0,93858-90-3,"Octaammonium octahydrogen [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate","octaammonium octahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.8H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);8*1H3/p-8",C18H52N6O24P8.8H3N,,,,,,NYTFOVRLJGJMMM-UHFFFAOYSA-F,,,,,,,,,,,
100.090.254,299-327-1,93858-92-5,"Decaammonium [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate",-,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.10H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);10*1H3/p-6",C18H52N6O24P8.10H3N,,,,,,UNXOCSVEXXRGTE-UHFFFAOYSA-H,,,,,,,,,,,
100.090.256,299-329-2,93858-94-7,"3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis[2,4-dichloro-6-hydroxybenzenesulphonic] acid","3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(2,4-dichloro-6-hydroxybenzenesulfonic acid)",Oc1cc(Cl)c(c(Cl)c1S(=O)(=O)O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4c(Cl)cc(O)c(c4Cl)S(=O)(=O)O,Oc1cc(Cl)c(c(Cl)c1S(=O)(=O)O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4c(Cl)cc(O)c(c4Cl)S(=O)(=O)O,"InChI=1/C20H6Br4Cl4O10S2/c21-11-7-10(12(22)14(24)13(11)23)20(38-19(7)31,8-3(25)1-5(29)17(15(8)27)39(32,33)34)9-4(26)2-6(30)18(16(9)28)40(35,36)37/h1-2,29-30H,(H,32,33,34)(H,35,36,37)",C20H6Br4Cl4O10S2,,,,,,LOKHDMBPIHPTHW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.258,299-331-3,93858-96-9,2-[2-(acetyloxy)propoxy]propyl acetate,2-(2-acetoxy-1-methylethoxy)-1-methylethyl acetate,CC(COC(=O)C)OCC(C)OC(=O)C,CC(COC(=O)C)OCC(C)OC(=O)C,"InChI=1/C10H18O5/c1-7(5-14-9(3)11)13-6-8(2)15-10(4)12/h7-8H,5-6H2,1-4H3",C10H18O5,,,,,,FLPPEMNGWYFRSK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.374,302-759-6,94133-94-5,"Diethyl sulphate, compound with N-[2-[(2-aminoethyl)amino]ethyl]octadecanamide",diethyl sulfate - N-{2-[(2-aminoethyl)amino]ethyl}octadecanamide (1:1),CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CCOS(=O)(=O)OCC,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CCOS(=O)(=O)OCC,"InChI=1/C22H47N3O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-3-7-9(5,6)8-4-2/h24H,2-21,23H2,1H3,(H,25,26);3-4H2,1-2H3",C22H47N3O.xC2H6O4S,,,,,,FEMUCJXAWWXTAB-UHFFFAOYSA-N,,,,,,,,,,,
100.087.143,295-901-0,92161-40-5,2-chloro-6-benzyloxybenzonitrile,2-(benzyloxy)-6-chlorobenzonitrile,Clc1cccc(OCc2ccccc2)c1C#N,Clc1cccc(OCc2ccccc2)c1C#N,"InChI=1/C14H10ClNO/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8H,10H2",C14H10ClNO,,,,,,CEFUICQUABSEPM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.041,297-992-2,93776-62-6,"Phosphoric acid, decyl ester, compd. with 2,2'-iminobis[ethanol]","decyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C10H23O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;6-3-1-5-2-4-7/h2-10H2,1H3,(H2,11,12,13);5-7H,1-4H2",-,,,,,,DTKWHADVSLSNQD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.045,297-996-4,93776-66-0,"Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]","zinc bis[4-(1,1,3,3-tetramethylbutyl)phenolate]",[Zn+2].CC(C)(C)CC(C)(C)c1ccc([O-])cc1.CC(C)(C)CC(C)(C)c2ccc([O-])cc2,[Zn+2].CC(C)(C)CC(C)(C)c1ccc([O-])cc1.CC(C)(C)CC(C)(C)c2ccc([O-])cc2,"InChI=1/2C14H22O.Zn/c2*1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;/h2*6-9,15H,10H2,1-5H3;/q;;+2/p-2",C14H22O.1/2Zn,,,,,,IPQRNTCKHOBUOR-UHFFFAOYSA-L,,,,,,,,,,,
100.064.831,271-336-5,68541-03-7,"N-phenyl-N-[3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propenyl]acetamide","N-[3-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl]-N-phenylacetamide",CN2C(=O)C(=C\\C=CN(c1ccccc1)C(C)=O)/C(=O)N(C)C2=O,CN2C(=O)C(=C\C=CN(c1ccccc1)C(C)=O)/C(=O)N(C)C2=O,"InChI=1/C17H17N3O4/c1-12(21)20(13-8-5-4-6-9-13)11-7-10-14-15(22)18(2)17(24)19(3)16(14)23/h4-11H,1-3H3",C17H17N3O4,,,,,,NOXHIROCWZYZHM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.832,271-337-0,68541-04-8,2-aminobutyl hydrogen sulphate,2-aminobutyl hydrogen sulfate,CCC(N)COS(=O)(=O)O,CCC(N)COS(=O)(=O)O,"InChI=1/C4H11NO4S/c1-2-4(5)3-9-10(6,7)8/h4H,2-3,5H2,1H3,(H,6,7,8)",C4H11NO4S,,,,,,UATUYFCJVAFDRY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.833,271-338-6,68541-05-9,"4-[4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(4-{4-[bis(2-cyanoethyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",N#CCCN(CCC#N)c1ccc(cc1)C=C3C(\\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,N#CCCN(CCC#N)c1ccc(cc1)C=C3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O,"InChI=1/C23H21N5O4S/c1-17-22(23(29)28(26-17)20-8-10-21(11-9-20)33(30,31)32)16-18-4-6-19(7-5-18)27(14-2-12-24)15-3-13-25/h4-11,16H,2-3,14-15H2,1H3,(H,30,31,32)",C23H21N5O4S,,,,,,JWBWZXYYSAFVDI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.849,271-355-9,68550-93-6,"Phosphoric acid, 2-ethylhexyl ester, potassium salt",potassium 2-ethylhexyl hydrogen phosphate,[K+].CCCCC(CC)COP(=O)(O)[O-],[K+].CCCCC(CC)COP(=O)(O)[O-],"InChI=1/C8H19O4P.K/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+1/p-1",-,,,,,,OPGPYWLIOPXHAR-UHFFFAOYSA-M,,,,,,,,,,,
100.064.858,271-365-3,68551-16-6,"Alkanes, C9-11-iso-",2-methylnonane,CCCCCCCC(C)C,CCCCCCCC(C)C,"InChI=1/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3",-,,,,,,SGVYKUFIHHTIFL-UHFFFAOYSA-N,,,,,,,,,,,
100.064.861,271-369-5,68551-19-9,"Alkanes, C12-14-iso-",2-methyldodecane,CCCCCCCCCCC(C)C,CCCCCCCCCCC(C)C,"InChI=1/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11519,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.861,HGEMCUOAMCILCP-UHFFFAOYSA-N,,,,,,,,,,,
100.066.624,273-308-8,68956-55-8,"Hydrocarbons, C5-unsatd.",pent-2-ene,CC\\C=C/C,CC\C=C/C,"InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12046,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.624,QMMOXUPEWRXHJS-HYXAFXHYSA-N,,,,,,,,,,,
100.068.126,274-962-7,70865-34-8,"Trisodium 8-amino-5-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonate","trisodium 8-amino-5-{[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonate",[Na+].[Na+].[Na+].Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1c(cccc1C(=O)c23)S([O-])(=O)=O)S([O-])(=O)=O)cc4)c(c5)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1c(cccc1C(=O)c23)S([O-])(=O)=O)S([O-])(=O)=O)cc4)c(c5)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C29H18Cl2N8O11S3.3Na/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)25(40)15-2-1-3-18(51(42,43)44)21(15)26(23)41;;;/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37);;;/q;3*+1/p-3",C29H18Cl2N8O11S3.3Na,,,,,,JHPUALQQSSQIKL-UHFFFAOYSA-K,,,,,,,,,,,
100.068.128,274-964-8,70865-36-0,"Trisodium 8-amino-5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracenedisulphonate","trisodium 8-amino-5-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-1,2-disulfonate",[Na+].[Na+].[Na+].Nc1ccc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)[O-])c4C(=O)c5ccc(c(c5C(=O)c14)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1ccc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)[O-])c4C(=O)c5ccc(c(c5C(=O)c14)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C23H14Cl2N6O11S3.3Na/c24-21-29-22(25)31-23(30-21)28-11-4-1-8(7-14(11)44(37,38)39)27-12-5-3-10(26)16-17(12)18(32)9-2-6-13(43(34,35)36)20(45(40,41)42)15(9)19(16)33;;;/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31);;;/q;3*+1/p-3",C23H14Cl2N6O11S3.3Na,,,,,,RTEWWLQBGDQTSG-UHFFFAOYSA-K,,,,,,,,,,,
100.062.749,269-044-8,68186-64-1,"Phosphoric acid, 2-ethylhexyl ester, sodium salt",sodium 2-ethylhexyl hydrogen phosphate,[Na+].CCCCC(CC)COP(=O)(O)[O-],[Na+].CCCCC(CC)COP(=O)(O)[O-],"InChI=1/C8H19O4P.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+1/p-1",-,,,,,,FFXZJJYYSMVVIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.062.877,269-186-0,68189-29-7,6-amino-N-(2-hydroxypropyl)naphthalene-2-sulphonamide,6-amino-N-(2-hydroxypropyl)naphthalene-2-sulfonamide,CC(O)CNS(=O)(=O)c1ccc2cc(N)ccc2c1,CC(O)CNS(=O)(=O)c1ccc2cc(N)ccc2c1,"InChI=1/C13H16N2O3S/c1-9(16)8-15-19(17,18)13-5-3-10-6-12(14)4-2-11(10)7-13/h2-7,9,15-16H,8,14H2,1H3",C13H16N2O3S,,,,,,WOSPGWVMEJFZEO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.882,269-191-8,68189-34-4,2-chloro-5-[(phenylamino)sulphonyl]benzoic acid,2-chloro-5-(phenylsulfamoyl)benzoic acid,OC(=O)c1cc(ccc1Cl)S(=O)(=O)Nc2ccccc2,OC(=O)c1cc(ccc1Cl)S(=O)(=O)Nc2ccccc2,"InChI=1/C13H10ClNO4S/c14-12-7-6-10(8-11(12)13(16)17)20(18,19)15-9-4-2-1-3-5-9/h1-8,15H,(H,16,17)",C13H10ClNO4S,,,,,,BYKANEVMPOZIQF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.502,301-798-6,94070-98-1,"2-(1,1-dimethylethyl)[1,1'-bicyclopentyl]-2-ol","2-tert-butyl-1,1'-bi(cyclopentyl)-2-ol",CC(C)(C)C1(O)CCCC1C2CCCC2,CC(C)(C)C1(O)CCCC1C2CCCC2,"InChI=1/C14H26O/c1-13(2,3)14(15)10-6-9-12(14)11-7-4-5-8-11/h11-12,15H,4-10H2,1-3H3",C14H26O,,,,,,UBOUZFDYGXBBHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.935,301-174-3,93981-86-3,Ethyl 12-oxo-12H-phthaloperinecarboxylate,"ethyl 12-oxo-12H-isoindolo[2,1-a]perimidine-1-carboxylate",CCOC(=O)c1ccc2cccc3N=C4N(C(=O)c5ccccc45)c1c23,CCOC(=O)c1ccc2cccc3N=C4N(C(=O)c5ccccc45)c1c23,"InChI=1/C21H14N2O3/c1-2-26-21(25)15-11-10-12-6-5-9-16-17(12)18(15)23-19(22-16)13-7-3-4-8-14(13)20(23)24/h3-11H,2H2,1H3",C21H14N2O3,,,,,,FCSWDHQIQLCTDU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.940,301-180-6,93981-91-0,Ethylhexadecyldimethylammonium 2-tert-butylphenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium 2-tert-butylphenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.CC(C)(C)c1ccccc1[O-],CCCCCCCCCCCCCCCC[N+](C)(C)CC.CC(C)(C)c1ccccc1[O-],"InChI=1/C20H44N.C10H14O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-10(2,3)8-6-4-5-7-9(8)11/h5-20H2,1-4H3;4-7,11H,1-3H3/q+1;/p-1",C20H44N.C10H13O,,,,,,QDEUHIXAYJNYJY-UHFFFAOYSA-M,,,,,,,,,,,
100.091.945,301-185-3,93981-97-6,1-methylethylene 2-ethylhexanoate,"propane-1,2-diyl bis(2-ethylhexanoate)",CCCCC(CC)C(=O)OCC(C)OC(=O)C(CC)CCCC,CCCCC(CC)C(=O)OCC(C)OC(=O)C(CC)CCCC,"InChI=1/C19H36O4/c1-6-10-12-16(8-3)18(20)22-14-15(5)23-19(21)17(9-4)13-11-7-2/h15-17H,6-14H2,1-5H3",C19H36O4,,,,,,RYKSMKFLIHUEBL-UHFFFAOYSA-N,,,,,,,,,,,
100.091.948,301-189-5,93982-00-4,2-tetradecyloctadecyl 2-hexyldecanoate,2-tetradecyloctadecyl 2-hexyldecanoate,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC,"InChI=1/C48H96O2/c1-5-9-13-17-20-22-24-26-27-29-31-33-35-38-42-46(41-37-34-32-30-28-25-23-21-18-14-10-6-2)45-50-48(49)47(43-39-16-12-8-4)44-40-36-19-15-11-7-3/h46-47H,5-45H2,1-4H3",C48H96O2,,,,,,IYAMYTGYXORBLO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.963,301-206-6,93982-15-1,(dodecylbenzyl)dimethyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium chloride,"N-(2-dodecylbenzyl)-N,N-dimethyl-2-(stearoyloxy)ethanaminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1ccccc1CCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1ccccc1CCCCCCCCCCCC,"InChI=1/C41H76NO2.ClH/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-35-41(43)44-37-36-42(3,4)38-40-34-31-30-33-39(40)32-28-26-24-22-16-14-12-10-8-6-2;/h30-31,33-34H,5-29,32,35-38H2,1-4H3;1H/q+1;/p-1",C41H76NO2.Cl,,,,,,ZQBUISZDWUXTIA-UHFFFAOYSA-M,,,,,,,,,,,
100.091.965,301-208-7,93982-17-3,"4-[[1,3-dihydro-6-methyl-4-benzylfuro[3,4-c]pyridin-7-yl]oxy]-N-isopropylbutylamine monohydrochloride","4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-isopropylbutan-1-amine hydrochloride",Cl.CC(C)NCCCCOc1c(C)nc(Cc2ccccc2)c3COCc13,Cl.CC(C)NCCCCOc1c(C)nc(Cc2ccccc2)c3COCc13,"InChI=1/C22H30N2O2.ClH/c1-16(2)23-11-7-8-12-26-22-17(3)24-21(19-14-25-15-20(19)22)13-18-9-5-4-6-10-18;/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3;1H",C22H30N2O2.ClH,,,,,,NDUAUQZNHSFJMY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.966,301-209-2,93982-18-4,Nonylphenyl hydrogen glutarate,5-(2-nonylphenoxy)-5-oxopentanoic acid,CCCCCCCCCc1ccccc1OC(=O)CCCC(=O)O,CCCCCCCCCc1ccccc1OC(=O)CCCC(=O)O,"InChI=1/C20H30O4/c1-2-3-4-5-6-7-8-12-17-13-9-10-14-18(17)24-20(23)16-11-15-19(21)22/h9-10,13-14H,2-8,11-12,15-16H2,1H3,(H,21,22)",C20H30O4,,,,,,PQBJNSYXHMLIDE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.968,301-211-3,93982-20-8,2-[2-(nonylphenoxy)ethoxy]ethyl stearate,2-[2-(2-nonylphenoxy)ethoxy]ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOc1ccccc1CCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOc1ccccc1CCCCCCCCC,"InChI=1/C37H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-30-37(38)41-34-32-39-31-33-40-36-29-26-25-28-35(36)27-23-21-19-10-8-6-4-2/h25-26,28-29H,3-24,27,30-34H2,1-2H3",C37H66O4,,,,,,UOPBRKAGOWPWKP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.526,301-824-6,94071-23-5,Methyl 2-hexadecyl-3-hydroxyicosanoate,methyl 2-hexadecyl-3-hydroxyicosanoate,CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCC)C(=O)OC,CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCC)C(=O)OC,"InChI=1/C37H74O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(38)35(37(39)40-3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35-36,38H,4-34H2,1-3H3",C37H74O3,,,,,,AZBYGKBIIOPZCG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.527,301-825-1,94071-24-6,"1,1,1,7,7,7-hexamethyl-3,5-bis[(trimethylsilyl)oxy]-3,5-divinyltetrasiloxane","1,1,1,7,7,7-hexamethyl-3,5-bis[(trimethylsilyl)oxy]-3,5-divinyltetrasiloxane",C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C=C)C=C,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C=C)C=C,"InChI=1/C16H42O5Si6/c1-15-26(17-22(3,4)5,18-23(6,7)8)21-27(16-2,19-24(9,10)11)20-25(12,13)14/h15-16H,1-2H2,3-14H3",C16H42O5Si6,,,,,,OKRHFHKKGAYXRF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.530,301-828-8,94086-41-6,Lithium 3-[[(2-hydroxyethyl)amino]carbonyl]pentadecenoate,lithium 3-[(2-hydroxyethyl)carbamoyl]pentadec-2-enoate,[Li+].O=C(NCCO)C(CCCCCCCCCCCC)=CC([O-])=O,[Li+].O=C(NCCO)C(CCCCCCCCCCCC)=CC([O-])=O,"InChI=1/C18H33NO4.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16(15-17(21)22)18(23)19-13-14-20;/h15,20H,2-14H2,1H3,(H,19,23)(H,21,22);/q;+1/p-1",C18H33NO4.Li,,,,,,BODYYTGYFYYBSY-UHFFFAOYSA-M,,,,,,,,,,,
100.092.536,301-835-6,94086-47-2,2-phenylpent-4-enoic acid,2-phenylpent-4-enoic acid,OC(=O)C(CC=C)c1ccccc1,OC(=O)C(CC=C)c1ccccc1,"InChI=1/C11H12O2/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2,(H,12,13)",C11H12O2,,,,,,IQZLXJUYCRPXRG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.686,274-478-6,70236-45-2,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium trichlorozincate","2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium trichlorozincate(1-)",CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.Cl[Zn-](Cl)Cl,CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.Cl[Zn-](Cl)Cl,"InChI=1/C23H26N3.3ClH.Zn/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;;;;/h5-6,8-15H,7,17H2,1-4H3;3*1H;/q+1;;;;+2/p-3/rC23H26N3.Cl3Zn/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-4(2)3/h5-6,8-15H,7,17H2,1-4H3;/q+1;-1",C23H26N3.Cl3Zn,,,,,,QJOPCCHRZGQJIH-UHFFFAOYSA-K,,,,,,,,,,,
100.067.687,274-479-1,70236-46-3,"2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium trichlorozincate(1-)","2-{[4-(dimethylamino)phenyl]diazenyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium trichlorozincate(1-)",CN2/C=C\\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.Cl[Zn-](Cl)Cl,CN2/C=C\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.Cl[Zn-](Cl)Cl,"InChI=1/C13H19N5.3ClH.Zn/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;;;;/h5-10,13H,1-4H3;3*1H;/q;;;;+2/p-2/rC13H19N5.Cl3Zn/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-4(2)3/h5-10,13H,1-4H3;/q;-1/p+1",C13H18N5.Cl3Zn,,,,,,MSDSXDWCXNDSRS-UHFFFAOYSA-L,,,,,,,,,,,
100.067.690,274-482-8,70236-51-0,"2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt","tetrasodium 4-[(4-{[4-anilino-6-({5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-1,3,5-triazin-2-yl]amino}-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(N=Nc2c(cc1cc(ccc1c2O)Nc7nc(Nc3ccccc3)nc(Nc6cc(C)c(N=Nc5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)n7)S([O-])(=O)=O)c(OC)cc8,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cc(N=Nc2c(cc1cc(ccc1c2O)Nc7nc(Nc3ccccc3)nc(Nc6cc(C)c(N=Nc5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)cc6OC)n7)S([O-])(=O)=O)c(OC)cc8,"InChI=1/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,55-56H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/q;4*+1/p-4",C44H36N10O16S4.4Na,,,,,,ALPKFOALTCELEH-UHFFFAOYSA-J,,,,,,,,,,,
100.068.815,275-720-3,71617-27-1,N-(dihydroxyethyl)-N-[3-[(dihydroxyethyl)amino]-4-methoxyphenyl]acetamide,"N-(1,1-dihydroxyethyl)-N-{3-[(1,1-dihydroxyethyl)amino]-4-methoxyphenyl}acetamide",COc1ccc(cc1NC(C)(O)O)N(C(=O)C)C(C)(O)O,COc1ccc(cc1NC(C)(O)O)N(C(=O)C)C(C)(O)O,"InChI=1/C13H20N2O6/c1-8(16)15(13(3,19)20)9-5-6-11(21-4)10(7-9)14-12(2,17)18/h5-7,14,17-20H,1-4H3",C13H20N2O6,,,,,,XJTMPVKVGBKLSN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.820,275-726-6,71619-13-1,N-ethyl-1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]naphthalen-2-amine,N-ethyl-1-({3-methyl-4-[(3-methylphenyl)diazenyl]phenyl}diazenyl)naphthalen-2-amine,Cc1cc(ccc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3NCC,Cc1cc(ccc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3NCC,"InChI=1/C26H25N5/c1-4-27-25-14-12-20-9-5-6-11-23(20)26(25)31-29-22-13-15-24(19(3)17-22)30-28-21-10-7-8-18(2)16-21/h5-17,27H,4H2,1-3H3",C26H25N5,,,,,,JFWOXXXNXBKHAU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.823,275-729-2,71627-65-1,"(2R-trans)-5,7-bis(benzyloxy)-2-[3,4-bis(phenylmethoxy)phenyl]-3,4-dihydro-2H-1-benzopyran-3-yl palmitate","5,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-3,4-dihydro-2H-chromen-3-yl palmitate",CCCCCCCCCCCCCCCC(=O)O[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5,CCCCCCCCCCCCCCCC(=O)O[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5,"InChI=1/C59H68O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-35-58(60)65-57-41-52-54(63-44-48-31-22-16-23-32-48)39-51(61-42-46-27-18-14-19-28-46)40-55(52)66-59(57)50-36-37-53(62-43-47-29-20-15-21-30-47)56(38-50)64-45-49-33-24-17-25-34-49/h14-25,27-34,36-40,57,59H,2-13,26,35,41-45H2,1H3",C59H68O7,,,,,,GUNKUHBCBGSLRV-CZDCYKPLSA-N,,,,,,,,,,,
100.068.832,275-739-7,71634-82-7,"(2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl palmitate","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl palmitate",CCCCCCCCCCCCCCCC(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,CCCCCCCCCCCCCCCC(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3,"InChI=1/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(36)37-29-21-24-26(34)19-23(32)20-28(24)38-31(29)22-16-17-25(33)27(35)18-22/h16-20,29,31-35H,2-15,21H2,1H3",C31H44O7,,,,,,HZXGLEQMLNKLOA-IGYGKHONSA-N,,,,,,,,,,,
100.068.833,275-740-2,71636-38-9,"a-[[[2-(2-chloro-3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-methoxybenzyl alcohol","2-{[2-(2-chloro-3,4-dimethoxyphenyl)ethyl]amino}-1-(4-methoxyphenyl)ethanol",COc1ccc(cc1)C(O)CNCCc2ccc(OC)c(OC)c2Cl,COc1ccc(cc1)C(O)CNCCc2ccc(OC)c(OC)c2Cl,"InChI=1/C19H24ClNO4/c1-23-15-7-4-13(5-8-15)16(22)12-21-11-10-14-6-9-17(24-2)19(25-3)18(14)20/h4-9,16,21-22H,10-12H2,1-3H3",C19H24ClNO4,,,,,,PQRXADLRQKVLHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.838,275-746-5,71648-18-5,"(Z)-3,7-dimethylocta-2,6-dienyl octanoate","3,7-dimethylocta-2,6-dien-1-yl octanoate",CCCCCCCC(=O)OC\\C=C(\\C)/CCC=C(C)C,CCCCCCCC(=O)OC\C=C(\C)/CCC=C(C)C,"InChI=1/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3",C18H32O2,,,,,,YYBMOGCOPQVSLQ-VKAVYKQESA-N,,,,,,,,,,,
100.089.047,297-999-0,93776-72-8,"Bis[4-chloro-3-[[3-chloro-4-[(2-cyanoethyl)amino]phenyl]azo]-N,N,N-trimethylanilinium] tetrachlorozincate","bis[4-chloro-3-({3-chloro-4-[(2-cyanoethyl)amino]phenyl}diazenyl)-N,N,N-trimethylanilinium] tetrachlorozincate(2-)",Clc2ccc(cc2N=Nc1ccc(NCCC#N)c(Cl)c1)[N+](C)(C)C.Cl[Zn-2](Cl)(Cl)Cl.C[N+](C)(C)c2ccc(Cl)c(N=Nc1ccc(NCCC#N)c(Cl)c1)c2,Clc2ccc(cc2N=Nc1ccc(NCCC#N)c(Cl)c1)[N+](C)(C)C.Cl[Zn-2](Cl)(Cl)Cl.C[N+](C)(C)c2ccc(Cl)c(N=Nc1ccc(NCCC#N)c(Cl)c1)c2,"InChI=1/2C18H20Cl2N5.4ClH.Zn/c2*1-25(2,3)14-6-7-15(19)18(12-14)24-23-13-5-8-17(16(20)11-13)22-10-4-9-21;;;;;/h2*5-8,11-12,22H,4,10H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H20Cl2N5.Cl4Zn/c2*1-25(2,3)14-6-7-15(19)18(12-14)24-23-13-5-8-17(16(20)11-13)22-10-4-9-21;1-5(2,3)4/h2*5-8,11-12,22H,4,10H2,1-3H3;/q2*+1;-2",C18H20Cl2N5.1/2Cl4Zn,,,,,,FQJQKXKPVUPBCH-UHFFFAOYSA-J,,,,,,,,,,,
100.089.060,298-013-1,93776-86-4,1-isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane,1-isocyanato-3-(isocyanatomethyl)-1-methylcyclohexane,CC1(CCCC(CN=C=O)C1)N=C=O,CC1(CCCC(CN=C=O)C1)N=C=O,"InChI=1/C10H14N2O2/c1-10(12-8-14)4-2-3-9(5-10)6-11-7-13/h9H,2-6H2,1H3",C10H14N2O2,,,,,,KHXVVWQPIQVNRH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.061,298-014-7,93776-87-5,"Sodium hydrogen 8-amino-3-hydroxynaphthalene-1,5-disulphonate","sodium hydrogen 8-amino-3-hydroxynaphthalene-1,5-disulfonate",[Na+].Nc1ccc(c2cc(O)cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc(c2cc(O)cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO7S2.Na/c11-7-1-2-8(19(13,14)15)6-3-5(12)4-9(10(6)7)20(16,17)18;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2",C10H9NO7S2.Na,,,,,,XYCKNWOLHQBPNL-UHFFFAOYSA-L,,,,,,,,,,,
100.089.064,298-017-3,93776-90-0,"2-(2,6-dimethyl-5-heptenyl)-5,5-dimethyl-1,3-dioxane","2-(2,6-dimethylhept-5-en-1-yl)-5,5-dimethyl-1,3-dioxane",CC(CCC=C(C)C)CC1OCC(C)(C)CO1,CC(CCC=C(C)C)CC1OCC(C)(C)CO1,"InChI=1/C15H28O2/c1-12(2)7-6-8-13(3)9-14-16-10-15(4,5)11-17-14/h7,13-14H,6,8-11H2,1-5H3",C15H28O2,,,,,,NBRLPXWLGXAHBK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.065,298-018-9,93776-91-1,"2-benzyl-5-butyl-5-ethyl-1,3-dioxane","2-benzyl-5-butyl-5-ethyl-1,3-dioxane",CCCCC1(CC)COC(Cc2ccccc2)OC1,CCCCC1(CC)COC(Cc2ccccc2)OC1,"InChI=1/C17H26O2/c1-3-5-11-17(4-2)13-18-16(19-14-17)12-15-9-7-6-8-10-15/h6-10,16H,3-5,11-14H2,1-2H3",C17H26O2,,,,,,ZRICRSADBZTBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.071,298-025-7,93776-98-8,"3,4-dihydro-6,7,8-trimethoxy-2-methylisoquinolinium methyl sulphate","6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolinium methyl sulfate",COc1cc2CC[N+](=Cc2c(OC)c1OC)C.COS(=O)(=O)[O-],COc1cc2CC[N+](=Cc2c(OC)c1OC)C.COS(=O)(=O)[O-],"InChI=1/C13H18NO3.CH4O4S/c1-14-6-5-9-7-11(15-2)13(17-4)12(16-3)10(9)8-14;1-5-6(2,3)4/h7-8H,5-6H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C13H18NO3.CH3O4S,,,,,,OOZBVDZNDNTFRV-UHFFFAOYSA-M,,,,,,,,,,,
100.089.074,298-028-3,93777-01-6,Sodium 4-[[4-(aminosulphonyl)phenyl]amino]-4-oxobutyrate,sodium 4-oxo-4-[(4-sulfamoylphenyl)amino]butanoate,[Na+].NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1,[Na+].NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1,"InChI=1/C10H12N2O5S.Na/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);/q;+1/p-1",C10H12N2O5S.Na,,,,,,ZSSBHMSGBSLUHH-UHFFFAOYSA-M,,,,,,,,,,,
100.090.268,299-342-3,93859-07-5,"N,N'-bis(1,3-dimethylbutylidene)-4-methylcyclohexane-1,3-diamine","N,N'-bis(1,3-dimethylbutylidene)-4-methylcyclohexane-1,3-diamine",CC(C)CC(C)=NC1CC(N=C(C)CC(C)C)C(C)CC1,CC(C)CC(C)=NC1CC(N=C(C)CC(C)C)C(C)CC1,"InChI=1/C19H36N2/c1-13(2)10-16(6)20-18-9-8-15(5)19(12-18)21-17(7)11-14(3)4/h13-15,18-19H,8-12H2,1-7H3",C19H36N2,,,,,,XXHWBPRCTBQGPX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.270,299-344-4,93859-09-7,"N,N'-bis(1-methylpropylidene)-2-methylcyclohexane-1,3-diamine","2-methyl-N,N'-bis(1-methylpropylidene)cyclohexane-1,3-diamine",CC(CC)=NC1CCCC(N=C(C)CC)C1C,CC(CC)=NC1CCCC(N=C(C)CC)C1C,"InChI=1/C15H28N2/c1-6-11(3)16-14-9-8-10-15(13(14)5)17-12(4)7-2/h13-15H,6-10H2,1-5H3",C15H28N2,,,,,,SFLBYQYWSNYXCL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.274,299-349-1,93859-13-3,"2-methyl-N,N'-bis(1,2,2-trimethylpropylidene)cyclohexane-1,3-diamine","2-methyl-N,N'-bis(1,2,2-trimethylpropylidene)cyclohexane-1,3-diamine",CC(C)(C)C(C)=NC1CCCC(N=C(C)C(C)(C)C)C1C,CC(C)(C)C(C)=NC1CCCC(N=C(C)C(C)(C)C)C1C,"InChI=1/C19H36N2/c1-13-16(20-14(2)18(4,5)6)11-10-12-17(13)21-15(3)19(7,8)9/h13,16-17H,10-12H2,1-9H3",C19H36N2,,,,,,VRZMKKMBVSGAJO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.278,299-353-3,93859-17-7,3-methylbutyl 3-(3-furyl)acrylate,3-methylbutyl 3-(3-furyl)acrylate,CC(C)CCOC(=O)\\C=C\\c1cocc1,CC(C)CCOC(=O)\C=C\c1cocc1,"InChI=1/C12H16O3/c1-10(2)5-8-15-12(13)4-3-11-6-7-14-9-11/h3-4,6-7,9-10H,5,8H2,1-2H3",C12H16O3,,,,,,XKXQGYBDCCQWPU-ONEGZZNKSA-N,,,,,,,,,,,
100.090.280,299-355-4,93859-19-9,Furfuryl 3-mercaptopropionate,2-furylmethyl 3-sulfanylpropanoate,SCCC(=O)OCc1occc1,SCCC(=O)OCc1occc1,"InChI=1/C8H10O3S/c9-8(3-5-12)11-6-7-2-1-4-10-7/h1-2,4,12H,3,5-6H2",C8H10O3S,,,,,,XUNHWOASMZRMOC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.929,302-268-7,94096-31-8,"Octahydro-4,7-methano-1H-indene-5,6-diol","octahydro-1H-4,7-methanoindene-5,6-diol",OC1C(O)C2CC1C3CCCC23,OC1C(O)C2CC1C3CCCC23,"InChI=1/C10H16O2/c11-9-7-4-8(10(9)12)6-3-1-2-5(6)7/h5-12H,1-4H2",C10H16O2,,,,,,CLWQLUWAOVYNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.883,269-192-3,68189-35-5,Disodium dodecyl 4-sulphonatophthalate,disodium 2-[(dodecyloxy)carbonyl]-5-sulfonatobenzoate,[Na+].[Na+].CCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-27-20(23)17-13-12-16(28(24,25)26)15-18(17)19(21)22;;/h12-13,15H,2-11,14H2,1H3,(H,21,22)(H,24,25,26);;/q;2*+1/p-2",C20H30O7S.2Na,,,,,,BAHDSEDXXPEHOT-UHFFFAOYSA-L,,,,,,,,,,,
100.062.886,269-196-5,68189-38-8,"2-aminotoluene-3,5-disulphonic acid","4-amino-5-methylbenzene-1,3-disulfonic acid",Cc1cc(cc(c1N)S(=O)(=O)O)S(=O)(=O)O,Cc1cc(cc(c1N)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C7H9NO6S2/c1-4-2-5(15(9,10)11)3-6(7(4)8)16(12,13)14/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14)",C7H9NO6S2,,,,,,KKBQCLVIBFUKGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.887,269-197-0,68189-39-9,7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid,7-acetamido-4-hydroxy-3-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonic acid,OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S(O)(=O)=O,"InChI=1/C20H19N3O11S3/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)",C20H19N3O11S3,,,,,,WUUGKDUMIQMLDN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.379,273-039-6,68929-07-7,2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-5-methoxy-3-methylbenzothiazolium methyl sulphate,"2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-5-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.CCN(CCO)c1ccc(cc1)N=Nc3sc2ccc(cc2[n+]3C)OC,[O-]S(=O)(=O)OC.CCN(CCO)c1ccc(cc1)N=Nc3sc2ccc(cc2[n+]3C)OC,"InChI=1/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-13-16(25-3)9-10-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C19H23N4O2S.CH3O4S,,,,,,HOHKDVIHEVYZBM-UHFFFAOYSA-M,,,,,,,,,,,
100.091.764,300-986-5,93965-35-6,"Barium 3,3-diethoxy-2-hydroxypropyl phosphate","barium 3,3-diethoxy-2-hydroxypropyl phosphate",[Ba+2].CCOC(OCC)C(O)COP(=O)([O-])[O-],[Ba+2].CCOC(OCC)C(O)COP(=O)([O-])[O-],"InChI=1/C7H17O7P.Ba/c1-3-12-7(13-4-2)6(8)5-14-15(9,10)11;/h6-8H,3-5H2,1-2H3,(H2,9,10,11);/q;+2/p-2",C7H17O7P.Ba,,,,,,OCALAXUAYOULKA-UHFFFAOYSA-L,,,,,,,,,,,
100.068.164,275-004-0,70900-34-4,2-[[[[5-[[[4-[[(heptadecafluorooctyl)sulphonyl]methylamino]butoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(5-{[(4-{[(heptadecafluorooctyl)sulfonyl](methyl)amino}butoxy)carbonyl]amino}-2-methylphenyl)carbamoyl]oxy}propyl methacrylate,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,"InChI=1/C29H30F17N3O8S/c1-14(2)19(50)56-13-16(4)57-21(52)48-18-12-17(9-8-15(18)3)47-20(51)55-11-7-6-10-49(5)58(53,54)29(45,46)27(40,41)25(36,37)23(32,33)22(30,31)24(34,35)26(38,39)28(42,43)44/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,47,51)(H,48,52)",C29H30F17N3O8S,,,,,,UJJKZLHNWMZYJC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.165,275-005-6,70900-35-5,2-[[[[2-methyl-5-[[[4-[methyl[(pentadecafluoroheptyl)sulphonyl]amino]butoxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(2-methyl-5-{[(4-{methyl[(pentadecafluoroheptyl)sulfonyl]amino}butoxy)carbonyl]amino}phenyl)carbamoyl]oxy}propyl methacrylate,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,"InChI=1/C28H30F15N3O8S/c1-14(2)19(47)53-13-16(4)54-21(49)45-18-12-17(9-8-15(18)3)44-20(48)52-11-7-6-10-46(5)55(50,51)28(42,43)26(37,38)24(33,34)22(29,30)23(31,32)25(35,36)27(39,40)41/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,44,48)(H,45,49)",C28H30F15N3O8S,,,,,,KRFXHCMETSLMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.166,275-006-1,70900-36-6,2-[[[[2-methyl-5-[[[4-[methyl[(tridecafluorohexyl)sulphonyl]amino]butoxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(2-methyl-5-{[(4-{methyl[(tridecafluorohexyl)sulfonyl]amino}butoxy)carbonyl]amino}phenyl)carbamoyl]oxy}propyl methacrylate,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,"InChI=1/C27H30F13N3O8S/c1-14(2)19(44)50-13-16(4)51-21(46)42-18-12-17(9-8-15(18)3)41-20(45)49-11-7-6-10-43(5)52(47,48)27(39,40)25(34,35)23(30,31)22(28,29)24(32,33)26(36,37)38/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,41,45)(H,42,46)",C27H30F13N3O8S,,,,,,SZKQXLQBQOMQBW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.923,269-236-1,68201-76-3,Sodium 3-[[4-acetamidophenyl]azo]-7-amino-4-hydroxynaphthalene-2-sulphonate,sodium 3-[(4-acetamidophenyl)diazenyl]-7-amino-4-hydroxynaphthalene-2-sulfonate,[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O,[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O,"InChI=1/C18H16N4O5S.Na/c1-10(23)20-13-3-5-14(6-4-13)21-22-17-16(28(25,26)27)9-11-8-12(19)2-7-15(11)18(17)24;/h2-9,24H,19H2,1H3,(H,20,23)(H,25,26,27);/q;+1/p-1",C18H16N4O5S.Na,,,,,,WOXMKPXZTRBQBG-UHFFFAOYSA-M,,,,,,,,,,,
100.062.924,269-237-7,68201-77-4,p-[[p-[(m-nitrophenyl)azo]phenyl]azo]phenol,4-({4-[(3-nitrophenyl)diazenyl]phenyl}diazenyl)phenol,Oc3ccc(N=Nc2ccc(N=Nc1cccc(c1)[N+]([O-])=O)cc2)cc3,Oc3ccc(N=Nc2ccc(N=Nc1cccc(c1)[N+]([O-])=O)cc2)cc3,"InChI=1/C18H13N5O3/c24-18-10-8-15(9-11-18)20-19-13-4-6-14(7-5-13)21-22-16-2-1-3-17(12-16)23(25)26/h1-12,24H",C18H13N5O3,,,,,,HFFLNPOQMNVCOC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.539,301-838-2,94086-50-7,Cobalt bis(dimethylhexanoate),"cobalt(2+) bis(2,2-dimethylhexanoate)",[Co+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],[Co+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],"InChI=1/2C8H16O2.Co/c2*1-4-5-6-8(2,3)7(9)10;/h2*4-6H2,1-3H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Co,,,,,,OZFRTOCPAIDJOH-UHFFFAOYSA-L,,,,,,,,,,,
100.092.540,301-839-8,94086-51-8,Copper bis(dimethylhexanoate),"copper(2+) bis(2,2-dimethylhexanoate)",[Cu+2].CC(C)(CCCC)C([O-])=O.CC(C)(CCCC)C([O-])=O,[Cu+2].CC(C)(CCCC)C([O-])=O.CC(C)(CCCC)C([O-])=O,"InChI=1/2C8H16O2.Cu/c2*1-4-5-6-8(2,3)7(9)10;/h2*4-6H2,1-3H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Cu,,,,,,ZZRRDRWGCZYYHK-UHFFFAOYSA-L,,,,,,,,,,,
100.092.544,301-844-5,94086-56-3,"2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate","2-hydroxy-3-(phosphonooxy)propyl octadeca-9,12,15-trienoate",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O,"InChI=1/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)",C21H37O7P,,,,,,DVNZKWQUAXJYGB-PDBXOOCHSA-N,,,,,,,,,,,
100.091.986,301-231-2,93982-42-4,1-[3-(allyloxy)-2-hydroxypropyl]semicarbazide,2-[3-(allyloxy)-2-hydroxypropyl]hydrazinecarboxamide,NC(=O)NNCC(O)COCC=C,NC(=O)NNCC(O)COCC=C,"InChI=1/C7H15N3O3/c1-2-3-13-5-6(11)4-9-10-7(8)12/h2,6,9,11H,1,3-5H2,(H3,8,10,12)",C7H15N3O3,,,,,,QYOYLWSRBFQKOD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.990,301-235-4,93982-47-9,"Methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate","methyl 4-(1,1,2,2-tetrafluoroethoxy)benzoate",COC(=O)c1ccc(OC(F)(F)C(F)F)cc1,COC(=O)c1ccc(OC(F)(F)C(F)F)cc1,"InChI=1/C10H8F4O3/c1-16-8(15)6-2-4-7(5-3-6)17-10(13,14)9(11)12/h2-5,9H,1H3",C10H8F4O3,,,,,,XBSLEPDQBBJDSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.994,301-240-1,93982-52-6,"3-[(4-amino-2,5-dimethylphenyl)azo]naphthalene-1,5-disulphonic acid","3-[(4-amino-2,5-dimethylphenyl)diazenyl]naphthalene-1,5-disulfonic acid",OS(=O)(=O)c3cccc2c3cc(N=Nc1cc(C)c(N)cc1C)cc2S(O)(=O)=O,OS(=O)(=O)c3cccc2c3cc(N=Nc1cc(C)c(N)cc1C)cc2S(O)(=O)=O,"InChI=1/C18H17N3O6S2/c1-10-7-16(11(2)6-15(10)19)21-20-12-8-14-13(18(9-12)29(25,26)27)4-3-5-17(14)28(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)",C18H17N3O6S2,,,,,,YWYMXTLLRAYVEM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.995,301-241-7,93982-53-7,"6,13-dichloro-3,10-bis(phenylamino)triphenodioxazine-2,9-disulphonic acid","3,10-dianilino-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonic acid",OS(=O)(=O)c1cc2N=C3C(=C4Oc5cc(Nc6ccccc6)c(cc5N=C4C(=C3Oc2cc1Nc7ccccc7)Cl)S(=O)(=O)O)Cl,OS(=O)(=O)c1cc2N=C3C(=C4Oc5cc(Nc6ccccc6)c(cc5N=C4C(=C3Oc2cc1Nc7ccccc7)Cl)S(=O)(=O)O)Cl,"InChI=1/C30H18Cl2N4O8S2/c31-25-28-30(44-22-12-20(34-16-9-5-2-6-10-16)24(46(40,41)42)14-18(22)36-28)26(32)27-29(25)43-21-11-19(33-15-7-3-1-4-8-15)23(45(37,38)39)13-17(21)35-27/h1-14,33-34H,(H,37,38,39)(H,40,41,42)",C30H18Cl2N4O8S2,,,,,,NXBSDRRWOSDDDG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.998,301-244-3,93982-56-0,"2-hydroxy-1,2-bis(3-phenoxyphenyl)ethan-1-one","2-hydroxy-1,2-bis(3-phenoxyphenyl)ethanone",OC(C(=O)c1cccc(Oc2ccccc2)c1)c3cccc(Oc4ccccc4)c3,OC(C(=O)c1cccc(Oc2ccccc2)c1)c3cccc(Oc4ccccc4)c3,"InChI=1/C26H20O4/c27-25(19-9-7-15-23(17-19)29-21-11-3-1-4-12-21)26(28)20-10-8-16-24(18-20)30-22-13-5-2-6-14-22/h1-18,25,27H",C26H20O4,,,,,,DDDGBXZGYPJRKI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.510,299-607-3,93893-20-0,Diammonium terbium pentanitrate,diammonium terbium pentanitrate,[NH4+].[NH4+].[Tb+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Tb+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/5NO3.2H3N.Tb/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2,H3N.5/2HNO3.1/2Tb,,,,,,DWMDUWXVPOGZSW-UHFFFAOYSA-P,,,,,,,,,,,
100.090.522,299-620-4,93893-33-5,"N-[2-[(2-aminoethyl)amino]ethyl]octadeca-9,12-dien-1-amide","N-{2-[(2-aminoethyl)amino]ethyl}octadeca-9,12-dienamide",NCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC,NCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC,"InChI=1/C22H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h6-7,9-10,24H,2-5,8,11-21,23H2,1H3,(H,25,26)",C22H43N3O,,,,,,YEPGQAAGPHDRPO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.523,299-622-5,93893-34-6,"N-[2-[(2-aminoethyl)amino]ethyl]-9,12,15-octadecatrienamide","N-{2-[(2-aminoethyl)amino]ethyl}octadeca-9,12,15-trienamide",NCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC,NCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC,"InChI=1/C22H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h3-4,6-7,9-10,24H,2,5,8,11-21,23H2,1H3,(H,25,26)",C22H41N3O,,,,,,DNMNDVSFVZUBTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.526,299-625-1,93893-37-9,N-(2-ethyl-4-nitrophenyl)dibenzylamine,"N,N-dibenzyl-2-ethyl-4-nitroaniline",CCc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+](=O)[O-],CCc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+](=O)[O-],"InChI=1/C22H22N2O2/c1-2-20-15-21(24(25)26)13-14-22(20)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3",C22H22N2O2,,,,,,KJXWPRQPTLIFSD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.558,301-859-7,94086-70-1,"Dibutyl 2,2'-trithiodiacetate","dibutyl 2,2'-trisulfane-1,3-diyldiacetate",CCCCOC(=O)CSSSCC(=O)OCCCC,CCCCOC(=O)CSSSCC(=O)OCCCC,"InChI=1/C12H22O4S3/c1-3-5-7-15-11(13)9-17-19-18-10-12(14)16-8-6-4-2/h3-10H2,1-2H3",C12H22O4S3,,,,,,YBOOJFQIQJHNQY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.841,275-749-1,71648-21-0,2-ethoxybenzyl alcohol,(2-ethoxyphenyl)methanol,CCOc1ccccc1CO,CCOc1ccccc1CO,"InChI=1/C9H12O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6,10H,2,7H2,1H3",C9H12O2,,,,,,ICJVQAHPHKYCNU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.842,275-750-7,71648-22-1,2-[2-(2-ethoxyethoxy)ethoxy]ethyl acetate,2-[2-(2-ethoxyethoxy)ethoxy]ethyl acetate,CCOCCOCCOCCOC(=O)C,CCOCCOCCOCCOC(=O)C,"InChI=1/C10H20O5/c1-3-12-4-5-13-6-7-14-8-9-15-10(2)11/h3-9H2,1-2H3",C10H20O5,,,,,,NVSCAPMJFRYMFK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.843,275-751-2,71648-23-2,3-ethoxy-N-phenyl-p-toluidine,3-ethoxy-4-methyl-N-phenylaniline,CCOc1cc(Nc2ccccc2)ccc1C,CCOc1cc(Nc2ccccc2)ccc1C,"InChI=1/C15H17NO/c1-3-17-15-11-14(10-9-12(15)2)16-13-7-5-4-6-8-13/h4-11,16H,3H2,1-2H3",C15H17NO,,,,,,YQTNJYSKTKWXIT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.844,275-752-8,71648-24-3,2-cyano-3-ethoxyacrylic acid,2-cyano-3-ethoxyacrylic acid,CCO\\C=C(\\C#N)/C(=O)O,CCO\C=C(\C#N)/C(=O)O,"InChI=1/C6H7NO3/c1-2-10-4-5(3-7)6(8)9/h4H,2H2,1H3,(H,8,9)",C6H7NO3,,,,,,AVAQZFUVMGMHSC-PLNGDYQASA-N,,,,,,,,,,,
100.068.846,275-754-9,71648-26-5,"1-ethyl-2,3-dihydro-1H-benzimidazole","1-ethyl-2,3-dihydro-1H-benzimidazole",CCN1CNc2ccccc12,CCN1CNc2ccccc12,"InChI=1/C9H12N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-6,10H,2,7H2,1H3",C9H12N2,,,,,,GTBRPZPCQWOPPO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.848,275-757-5,71648-28-7,"Ethyl 2,2-diethoxyacetimidate","ethyl 2,2-diethoxyethanimidoate",CCOC(OCC)C(=N)OCC,CCOC(OCC)C(=N)OCC,"InChI=1/C8H17NO3/c1-4-10-7(9)8(11-5-2)12-6-3/h8-9H,4-6H2,1-3H3",C8H17NO3,,,,,,VCJBDFPSHPBLAO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.852,275-761-7,71648-32-3,Calcium bis(3-phenylpropionate),calcium bis(3-phenylpropanoate),[Ca+2].[O-]C(=O)CCc1ccccc1.[O-]C(=O)CCc2ccccc2,[Ca+2].[O-]C(=O)CCc1ccccc1.[O-]C(=O)CCc2ccccc2,"InChI=1/2C9H10O2.Ca/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-5H,6-7H2,(H,10,11);/q;;+2/p-2",C9H10O2.1/2Ca,,,,,,VTSKURVDQVPKIL-UHFFFAOYSA-L,,,,,,,,,,,
100.064.196,270-637-9,68466-09-1,"Sodium hydrogen 4-aminobenzene-1,3-disulphonate","sodium hydrogen 4-aminobenzene-1,3-disulfonate",[Na+].Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H7NO6S2.Na/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);/q;+1/p-2",C6H7NO6S2.Na,,,,,,JYKSCWRCLLNCHG-UHFFFAOYSA-L,,,,,,,,,,,
100.064.209,270-652-0,68475-58-1,"Alkanes, C2-3",ethane,CC,CC,InChI=1/C2H6/c1-2/h1-2H3,-,,,,,,OTMSDBZUPAUEDD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.512,274-287-8,70032-30-3,Diethyl [[(3-chloro-4-fluorophenyl)amino]methylene]malonate,diethyl {[(3-chloro-4-fluorophenyl)amino]methylene}malonate,CCOC(=O)C(=CNc1ccc(F)c(Cl)c1)C(=O)OCC,CCOC(=O)C(=CNc1ccc(F)c(Cl)c1)C(=O)OCC,"InChI=1/C14H15ClFNO4/c1-3-20-13(18)10(14(19)21-4-2)8-17-9-5-6-12(16)11(15)7-9/h5-8,17H,3-4H2,1-2H3",C14H15ClFNO4,,,,,,QCUVGLQBYVPXDN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.520,274-296-7,70057-25-9,"3,3,6,7-tetramethylindan-5-ol","3,3,6,7-tetramethylindan-5-ol",Cc1c(C)c2CCC(C)(C)c2cc1O,Cc1c(C)c2CCC(C)(C)c2cc1O,"InChI=1/C13H18O/c1-8-9(2)12(14)7-11-10(8)5-6-13(11,3)4/h7,14H,5-6H2,1-4H3",C13H18O,,,,,,QACSMPNJLJBVQD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.521,274-297-2,70059-30-2,N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine monohydrochloride,1-cyano-3-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine hydrochloride,Cl.CN\\C(=N\\CCSCc1nc[nH]c1C)\\NC#N,Cl.CN\C(=N\CCSCc1nc[nH]c1C)\NC#N,"InChI=1/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H",C10H16N6S.ClH,,,,,,QJHCNBWLPSXHBL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.522,274-298-8,70062-36-1,Ammonium 2-(4-chlorophenyl)benzoxazole-5-propionate,"ammonium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate",[NH4+].[O-]C(=O)CCc1ccc2oc(nc2c1)c3ccc(Cl)cc3,[NH4+].[O-]C(=O)CCc1ccc2oc(nc2c1)c3ccc(Cl)cc3,"InChI=1/C16H12ClNO3.H3N/c17-12-5-3-11(4-6-12)16-18-13-9-10(2-8-15(19)20)1-7-14(13)21-16;/h1,3-7,9H,2,8H2,(H,19,20);1H3",C16H12ClNO3.H3N,,,,,,ZHGKCKWUNIMCGT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.524,274-300-7,70069-12-4,"Oleic acid, compound with N,N-dimethyloctadecylamine (1:1)","octadec-9-enoic acid - N,N-dimethyloctadecan-1-amine (1:1)",CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C20H43N.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-20H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C20H43N.C18H34O2,,,,,,ISXUPALXMVVLSU-SVMKZPJVSA-N,,,,,,,,,,,
100.067.532,274-309-6,70092-23-8,"5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one","5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one",C\\C1=C\\CCC(C)(C)C1C=CC(=O)CC(C)C,C\C1=C\CCC(C)(C)C1C=CC(=O)CC(C)C,"InChI=1/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3",C16H26O,,,,,,QLDFUXZWCMSFEO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.932,302-271-3,94107-38-7,Potassium (R)-[(3-ethoxy-1-methyl-3-oxopropylidene)amino](4-hydroxyphenyl)acetate,potassium [(3-ethoxy-1-methyl-3-oxopropylidene)amino](4-hydroxyphenyl)acetate,[K+].CCOC(=O)C\\C(=N\\[C@@H](C(=O)[O-])c1ccc(O)cc1)\\C,[K+].CCOC(=O)C\C(=N\[C@@H](C(=O)[O-])c1ccc(O)cc1)\C,"InChI=1/C14H17NO5.K/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-7,13,16H,3,8H2,1-2H3,(H,18,19);/q;+1/p-1",C14H17NO5.K,,,,,,QRVSNCPZUSBSDL-IJLASVAVSA-M,,,,,,,,,,,
100.089.092,298-048-2,93777-19-6,"Diisopropenyl 3,3'-[(diphenylsilylene)bis(oxy)]dipropionate","isopropenyl 2-methyl-4-oxo-8,8-diphenyl-3,7,9-trioxa-8-siladodec-1-en-12-oate",CC(=C)OC(=O)CCO[Si](OCCC(=O)OC(=C)C)(c1ccccc1)c2ccccc2,CC(=C)OC(=O)CCO[Si](OCCC(=O)OC(=C)C)(c1ccccc1)c2ccccc2,"InChI=1/C24H28O6Si/c1-19(2)29-23(25)15-17-27-31(21-11-7-5-8-12-21,22-13-9-6-10-14-22)28-18-16-24(26)30-20(3)4/h5-14H,1,3,15-18H2,2,4H3",C24H28O6Si,,,,,,UOCNLWADXHUMPD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.093,298-049-8,93777-20-9,"2-[4-(1,3-dioxobutyl)phenoxy]ethyl undecanoate",2-(4-acetoacetylphenoxy)ethyl undecanoate,CCCCCCCCCCC(=O)OCCOc1ccc(cc1)C(=O)CC(=O)C,CCCCCCCCCCC(=O)OCCOc1ccc(cc1)C(=O)CC(=O)C,"InChI=1/C23H34O5/c1-3-4-5-6-7-8-9-10-11-23(26)28-17-16-27-21-14-12-20(13-15-21)22(25)18-19(2)24/h12-15H,3-11,16-18H2,1-2H3",C23H34O5,,,,,,GZUFZHNCCSFMSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.096,298-052-4,93777-23-2,"2,4,6-tris(1-phenylethyl)phenyl dihydrogen phosphate","2,4,6-tris(1-phenylethyl)phenyl dihydrogen phosphate",OP(O)(=O)Oc2c(cc(cc2C(C)c1ccccc1)C(C)c3ccccc3)C(C)c4ccccc4,OP(O)(=O)Oc2c(cc(cc2C(C)c1ccccc1)C(C)c3ccccc3)C(C)c4ccccc4,"InChI=1/C30H31O4P/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(34-35(31,32)33)29(20-27)23(3)26-17-11-6-12-18-26/h4-23H,1-3H3,(H2,31,32,33)",C30H31O4P,,,,,,IRQQJMNMJVDQPW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.101,298-058-7,93777-28-7,"2,4-diisopropylbenzenesulphonyl chloride","2,4-diisopropylbenzenesulfonyl chloride",CC(C)c1ccc(c(c1)C(C)C)S(=O)(=O)Cl,CC(C)c1ccc(c(c1)C(C)C)S(=O)(=O)Cl,"InChI=1/C12H17ClO2S/c1-8(2)10-5-6-12(16(13,14)15)11(7-10)9(3)4/h5-9H,1-4H3",C12H17ClO2S,,,,,,VGWSSUWTLNPRBC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.106,298-063-4,93777-33-4,"1,4-dioxacycloheptadecane-2,3-dione","1,4-dioxacycloheptadecane-2,3-dione",O=C1OCCCCCCCCCCCCCOC1=O,O=C1OCCCCCCCCCCCCCOC1=O,InChI=1/C15H26O4/c16-14-15(17)19-13-11-9-7-5-3-1-2-4-6-8-10-12-18-14/h1-13H2,C15H26O4,,,,,,SFDQLZJCABIQTG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.323,299-402-9,93881-99-3,"2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine","2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine",COCCOCCOc1cc(N)ccc1N,COCCOCCOc1cc(N)ccc1N,"InChI=1/C11H18N2O3/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,12-13H2,1H3",C11H18N2O3,,,,,,XJKJEBRXZVBBCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.724,276-720-6,72578-58-6,"Formic acid, compound with 1,3,5-triazine-2,4,6-triamine","formic acid - 1,3,5-triazine-2,4,6-triamine (1:1)",Nc1nc(N)nc(N)n1.OC=O,Nc1nc(N)nc(N)n1.OC=O,"InChI=1/C3H6N6.CH2O2/c4-1-7-2(5)9-3(6)8-1;2-1-3/h(H6,4,5,6,7,8,9);1H,(H,2,3)",C3H6N6.xCH2O2,,,,,,DPQOLGSOIHKEPP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.730,276-726-9,72590-77-3,"11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate 21-propionate","11-hydroxy-3,20-dioxo-21-(propionyloxy)pregn-4-en-17-yl butyrate",CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC,CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC,"InChI=1/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3",C28H40O7,,,,,,FOGXJPFPZOHSQS-AYVLZSQQSA-N,,,,,,,,,,,
100.069.731,276-727-4,72595-17-6,Methyl N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-ß-alaninate,methyl N-{3-acetamido-4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}-N-ethyl-beta-alaninate,COC(=O)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)c(NC(C)=O)c2,COC(=O)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)c(NC(C)=O)c2,"InChI=1/C21H22N6O5/c1-4-26(10-9-21(29)32-3)16-5-8-19(20(12-16)23-14(2)28)25-24-18-7-6-17(27(30)31)11-15(18)13-22/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,28)",C21H22N6O5,,,,,,IHGNMANWSZRSPH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.733,276-730-0,72601-82-2,7-[(6-deoxy-ß-L-galactopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl 6-deoxy-beta-L-galactopyranoside,C[C@@H]1O[C@H](Oc2ccc3C(=CC(=O)Oc3c2)C)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@H](Oc2ccc3C(=CC(=O)Oc3c2)C)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3",C16H18O7,,,,,,CQKHENXHLAUMBH-NXPHAWEXSA-N,,,,,,,,,,,
100.062.095,268-324-7,68052-45-9,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(dimethylamino)-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(dimethylamino)-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(C)C)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(C)C)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C17H17BrN6O6/c1-9(25)19-12-7-14(22(2)3)16(30-4)8-13(12)20-21-17-11(18)5-10(23(26)27)6-15(17)24(28)29/h5-8H,1-4H3,(H,19,25)",C17H17BrN6O6,,,,,,GBPDMIVQWNYIEM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.925,269-238-2,68201-78-5,Sodium 3-[(5-amino-1H-benzimidazol-2-yl)thio]propanesulphonate,sodium 3-[(5-amino-1H-benzimidazol-2-yl)sulfanyl]propane-1-sulfonate,[Na+].Nc1ccc2[nH]c(SCCCS(=O)(=O)[O-])nc2c1,[Na+].Nc1ccc2[nH]c(SCCCS(=O)(=O)[O-])nc2c1,"InChI=1/C10H13N3O3S2.Na/c11-7-2-3-8-9(6-7)13-10(12-8)17-4-1-5-18(14,15)16;/h2-3,6H,1,4-5,11H2,(H,12,13)(H,14,15,16);/q;+1/p-1",C10H13N3O3S2.Na,,,,,,JZUPSTYRXULFSZ-UHFFFAOYSA-M,,,,,,,,,,,
100.062.929,269-242-4,68201-83-2,"(1,4-dihydro-1-naphthyl)sodium, compound with tetrahydrofuran (1:1)","1,4-dihydronaphthalen-1-ylsodium - tetrahydrofuran (1:1)",[Na]C1C=CCc2ccccc12.C3CCOC3,[Na]C1C=CCc2ccccc12.C3CCOC3,"InChI=1/C10H9.C4H8O.Na/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;/h1-7H,8H2;1-4H2;/rC10H9Na.C4H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-5-3-1/h1-4,6-7,10H,5H2;1-4H2",C10H9Na.C4H8O,,,,,,RZSGTNVSFKOWOY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.931,269-245-0,68201-85-4,9-sulpho-9-octadecenoic acid,9-sulfooctadec-9-enoic acid,OS(=O)(=O)C(=CCCCCCCCC)CCCCCCCC(O)=O,OS(=O)(=O)C(=CCCCCCCCC)CCCCCCCC(O)=O,"InChI=1/C18H34O5S/c1-2-3-4-5-6-8-11-14-17(24(21,22)23)15-12-9-7-10-13-16-18(19)20/h14H,2-13,15-16H2,1H3,(H,19,20)(H,21,22,23)",C18H34O5S,,,,,,JEXDTYLVDKNUPY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.943,269-258-1,68213-73-0,"Octanoic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)","octanoic acid - 1,1'-iminodipropan-2-ol (1:1)",CCCCCCCC(=O)O.CC(O)CNCC(C)O,CCCCCCCC(=O)O.CC(O)CNCC(C)O,"InChI=1/C8H16O2.C6H15NO2/c1-2-3-4-5-6-7-8(9)10;1-5(8)3-7-4-6(2)9/h2-7H2,1H3,(H,9,10);5-9H,3-4H2,1-2H3",C8H16O2.C6H15NO2,,,,,,HRAMXSXNNWDJAM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.944,269-259-7,68213-74-1,"Tetrahydro-2,5-dioxofuran-3-sulphonic acid","2,5-dioxotetrahydrofuran-3-sulfonic acid",OS(=O)(=O)C1CC(=O)OC1=O,OS(=O)(=O)C1CC(=O)OC1=O,"InChI=1/C4H4O6S/c5-3-1-2(4(6)10-3)11(7,8)9/h2H,1H2,(H,7,8,9)",C4H4O6S,,,,,,SVSLTKACVXNABI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.946,269-261-8,68213-76-3,"Citric acid, ammonium magnesium salt",ammonium magnesium citrate,[NH4+].[Mg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[Mg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Mg.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+2;/p-2",C6H8O7.xH3N.xMg,,,,,,IFEOTSHSEOEPSF-UHFFFAOYSA-L,,,,,,,,,,,
100.062.951,269-267-0,68213-82-1,"Phenol, compound with 1,1'-iminobis[propan-2-ol] (1:1)","1,1'-iminodipropan-2-ol - phenol (1:1)",CC(O)CNCC(C)O.Oc1ccccc1,CC(O)CNCC(C)O.Oc1ccccc1,"InChI=1/C6H15NO2.C6H6O/c1-5(8)3-7-4-6(2)9;7-6-4-2-1-3-5-6/h5-9H,3-4H2,1-2H3;1-5,7H",C6H15NO2.C6H6O,,,,,,ZQJRCNBBERUVTK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.956,269-272-8,68213-89-8,Sodium 4-hydroxy-7-(phenylamino)naphthalene-2-sulphonate,sodium 7-anilino-4-hydroxynaphthalene-2-sulfonate,[Na+].Oc1cc(cc2cc(Nc3ccccc3)ccc12)S(=O)(=O)[O-],[Na+].Oc1cc(cc2cc(Nc3ccccc3)ccc12)S(=O)(=O)[O-],"InChI=1/C16H13NO4S.Na/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12;/h1-10,17-18H,(H,19,20,21);/q;+1/p-1",C16H13NO4S.Na,,,,,,IFDKBIXAJJBAQT-UHFFFAOYSA-M,,,,,,,,,,,
100.062.958,269-274-9,68213-91-2,"Ethyl 4,5-dihydro-4-[(2-nitrophenyl)azo]-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate","ethyl 4-[(2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",[O-][N+](=O)c3ccccc3N=NC2\\C(=N/N(c1ccccc1)C2=O)C(=O)OCC,[O-][N+](=O)c3ccccc3N=NC2\C(=N/N(c1ccccc1)C2=O)C(=O)OCC,"InChI=1/C18H15N5O5/c1-2-28-18(25)16-15(17(24)22(21-16)12-8-4-3-5-9-12)20-19-13-10-6-7-11-14(13)23(26)27/h3-11,15H,2H2,1H3",C18H15N5O5,,,,,,WJILYNHHWNITTM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.779,301-002-7,93966-50-8,"Cinnamic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)","3-phenylacrylic acid - 1,1'-iminodipropan-2-ol (1:1)",CC(O)CNCC(C)O.OC(=O)\\C=C\\c1ccccc1,CC(O)CNCC(C)O.OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.C6H15NO2/c10-9(11)7-6-8-4-2-1-3-5-8;1-5(8)3-7-4-6(2)9/h1-7H,(H,10,11);5-9H,3-4H2,1-2H3",C9H8O2.C6H15NO2,,,,,,AVLSZIPLCZOKMQ-UHDJGPCESA-N,,,,,,,,,,,
100.091.782,301-005-3,93966-53-1,"2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl acetate","2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethyl acetate",CC(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,CC(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C19H19ClN2O4S/c1-14(23)26-12-13-27(24,25)18-8-6-17(7-9-18)22-11-10-19(21-22)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3",C19H19ClN2O4S,,,,,,QOVJRYWDAQMLJD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.784,301-007-4,93966-56-4,"4,5-dihydro-1-methyl-1-[3-[(1-oxotetradecyl)amino]propyl]-2-tridecyl-1H-imidazolium methyl sulphate","1-methyl-1-[3-(tetradecanoylamino)propyl]-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCCCC(=O)NCCC[N+]1(C)CCN=C1CCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCC(=O)NCCC[N+]1(C)CCN=C1CCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C34H67N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-27-33-35-30-32-37(33,3)31-26-29-36-34(38)28-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-32H2,1-3H3;1H3,(H,2,3,4)",C34H68N3O.CH3O4S,,,,,,MBFBWPDVJGSJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.563,301-864-4,94086-75-6,"Undecanoic acid, compound with 1-aminopropan-2-ol (1:1)",undecanoic acid - 1-aminopropan-2-ol (1:1),CCCCCCCCCCC(=O)O.CC(O)CN,CCCCCCCCCCC(=O)O.CC(O)CN,"InChI=1/C11H22O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3(5)2-4/h2-10H2,1H3,(H,12,13);3,5H,2,4H2,1H3",C11H22O2.C3H9NO,,,,,,SGPMUPKYHZPOOE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.569,301-871-2,94086-81-4,[3-(dodecyloxy)-2-hydroxypropyl]diethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"3-(dodecyloxy)-N,N-diethyl-2-hydroxy-N-[2-(methacryloyloxy)ethyl]propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CCOC(=O)C(=C)C,[Cl-].CCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CCOC(=O)C(=C)C,"InChI=1/C25H50NO4.ClH/c1-6-9-10-11-12-13-14-15-16-17-19-29-22-24(27)21-26(7-2,8-3)18-20-30-25(28)23(4)5;/h24,27H,4,6-22H2,1-3,5H3;1H/q+1;/p-1",C25H50NO4.Cl,,,,,,HALQYYLIBACXCS-UHFFFAOYSA-M,,,,,,,,,,,
100.092.577,301-880-1,94086-89-2,(p-dodecylbenzyl)diethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"N-(4-dodecylbenzyl)-N,N-diethyl-2-(methacryloyloxy)ethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccc(C[N+](CC)(CC)CCOC(=O)C(=C)C)cc1,[Cl-].CCCCCCCCCCCCc1ccc(C[N+](CC)(CC)CCOC(=O)C(=C)C)cc1,"InChI=1/C29H50NO2.ClH/c1-6-9-10-11-12-13-14-15-16-17-18-27-19-21-28(22-20-27)25-30(7-2,8-3)23-24-32-29(31)26(4)5;/h19-22H,4,6-18,23-25H2,1-3,5H3;1H/q+1;/p-1",C29H50NO2.Cl,,,,,,NEOOMTBMVQHLAS-UHFFFAOYSA-M,,,,,,,,,,,
100.092.578,301-881-7,94086-90-5,(p-dodecylbenzyl)diethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"2-(acryloyloxy)-N-(4-dodecylbenzyl)-N,N-diethylethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccc(C[N+](CC)(CC)CCOC(=O)C=C)cc1,[Cl-].CCCCCCCCCCCCc1ccc(C[N+](CC)(CC)CCOC(=O)C=C)cc1,"InChI=1/C28H48NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-26-19-21-27(22-20-26)25-29(7-3,8-4)23-24-31-28(30)6-2;/h6,19-22H,2,5,7-18,23-25H2,1,3-4H3;1H/q+1;/p-1",C28H48NO2.Cl,,,,,,VIQPWVDEZNSQBN-UHFFFAOYSA-M,,,,,,,,,,,
100.092.579,301-882-2,94086-91-6,Diethyl[2-(methacryloyloxy)ethyl]tetradecylammonium bromide,"N,N-diethyl-N-[2-(methacryloyloxy)ethyl]tetradecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCC[N+](CC)(CC)CCOC(=O)C(=C)C,[Br-].CCCCCCCCCCCCCC[N+](CC)(CC)CCOC(=O)C(=C)C,"InChI=1/C24H48NO2.BrH/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-25(7-2,8-3)21-22-27-24(26)23(4)5;/h4,6-22H2,1-3,5H3;1H/q+1;/p-1",C24H48NO2.Br,,,,,,DCJUIBDMRSNSFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.092.580,301-883-8,94086-92-7,[2-(acryloyloxy)ethyl]diethyltetradecylammonium bromide,"N-[2-(acryloyloxy)ethyl]-N,N-diethyltetradecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCC[N+](CC)(CC)CCOC(=O)C=C,[Br-].CCCCCCCCCCCCCC[N+](CC)(CC)CCOC(=O)C=C,"InChI=1/C23H46NO2.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-24(7-3,8-4)21-22-26-23(25)6-2;/h6H,2,5,7-22H2,1,3-4H3;1H/q+1;/p-1",C23H46NO2.Br,,,,,,VMVXKFHCRREBKW-UHFFFAOYSA-M,,,,,,,,,,,
100.090.538,299-638-2,93893-49-3,a-ethyl-a-methylcyclohexylpropyl acetate,1-ethyl-1-(1-methylcyclohexyl)propyl acetate,CCC(CC)(OC(=O)C)C1(C)CCCCC1,CCC(CC)(OC(=O)C)C1(C)CCCCC1,"InChI=1/C14H26O2/c1-5-14(6-2,16-12(3)15)13(4)10-8-7-9-11-13/h5-11H2,1-4H3",C14H26O2,,,,,,CRIOAFNKANIFKK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.540,299-640-3,93893-51-7,Decahydro-2-naphthylethyl acetate,1-(decahydronaphthalen-2-yl)ethyl acetate,CC(OC(=O)C)C1CCC2CCCCC2C1,CC(OC(=O)C)C1CCC2CCCCC2C1,"InChI=1/C14H24O2/c1-10(16-11(2)15)13-8-7-12-5-3-4-6-14(12)9-13/h10,12-14H,3-9H2,1-2H3",C14H24O2,,,,,,GWXQRZLWZYNGPY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.546,299-647-1,93893-57-3,2-(2-methylphenoxy)-5-nitrobenzenesulphonic acid,2-(2-methylphenoxy)-5-nitrobenzenesulfonic acid,Cc1ccccc1Oc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-],Cc1ccccc1Oc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C13H11NO6S/c1-9-4-2-3-5-11(9)20-12-7-6-10(14(15)16)8-13(12)21(17,18)19/h2-8H,1H3,(H,17,18,19)",C13H11NO6S,,,,,,FIBJEQINQFELMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.550,299-651-3,93893-61-9,"3-[4-[[5-(1,1-dimethylpropyl)-2-hydroxy-3-nitrophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide","3-(4-{[5-(1,1-dimethylpropyl)-2-hydroxy-3-nitrophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide",CC(C)(CC)c3cc(N=NC2C(\\C)=N/N(c1cc(ccc1)S(N)(=O)=O)C2=O)c(O)c(c3)[N+]([O-])=O,CC(C)(CC)c3cc(N=NC2C(\C)=N/N(c1cc(ccc1)S(N)(=O)=O)C2=O)c(O)c(c3)[N+]([O-])=O,"InChI=1/C21H24N6O6S/c1-5-21(3,4)13-9-16(19(28)17(10-13)27(30)31)23-24-18-12(2)25-26(20(18)29)14-7-6-8-15(11-14)34(22,32)33/h6-11,18,28H,5H2,1-4H3,(H2,22,32,33)",C21H24N6O6S,,,,,,MBPFRQUBNCXWGR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.556,299-658-1,93893-67-5,1-[(4-chlorophenyl)methyl]-5-ethyl-2-methylpyridinium chloride,1-(4-chlorobenzyl)-5-ethyl-2-methylpyridinium chloride,[Cl-].CCc1ccc(C)[n+](Cc2ccc(Cl)cc2)c1,[Cl-].CCc1ccc(C)[n+](Cc2ccc(Cl)cc2)c1,"InChI=1/C15H17ClN.ClH/c1-3-13-5-4-12(2)17(10-13)11-14-6-8-15(16)9-7-14;/h4-10H,3,11H2,1-2H3;1H/q+1;/p-1",C15H17ClN.Cl,,,,,,HQJDXZLNKIXPQI-UHFFFAOYSA-M,,,,,,,,,,,
100.090.568,299-671-2,93893-79-9,"2,2'-(2-methylpropylidene)bis[6-(1,1-dimethylethyl)-4-(1-methylethyl)phenol]","2,2'-(2-methylpropane-1,1-diyl)bis(6-tert-butyl-4-isopropylphenol)",CC(C)C(c1cc(cc(c1O)C(C)(C)C)C(C)C)c2cc(cc(c2O)C(C)(C)C)C(C)C,CC(C)C(c1cc(cc(c1O)C(C)(C)C)C(C)C)c2cc(cc(c2O)C(C)(C)C)C(C)C,"InChI=1/C30H46O2/c1-17(2)20-13-22(27(31)24(15-20)29(7,8)9)26(19(5)6)23-14-21(18(3)4)16-25(28(23)32)30(10,11)12/h13-19,26,31-32H,1-12H3",C30H46O2,,,,,,YGLXHCPIKWCYEU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.534,274-311-7,70092-44-3,2-hydroxycyclohexyl octanoate,2-hydroxycyclohexyl octanoate,CCCCCCCC(=O)OC1CCCCC1O,CCCCCCCC(=O)OC1CCCCC1O,"InChI=1/C14H26O3/c1-2-3-4-5-6-11-14(16)17-13-10-8-7-9-12(13)15/h12-13,15H,2-11H2,1H3",C14H28O2,,,,,,NELXLKVTAUYLLT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.701,274-494-3,70240-34-5,N-[3-(diethoxymethylsilyl)propyl]ethylenediamine,"N-{3-[(diethoxymethyl)silyl]propyl}ethane-1,2-diamine",CCOC(OCC)[SiH2]CCCNCCN,CCOC(OCC)[SiH2]CCCNCCN,"InChI=1/C10H26N2O2Si/c1-3-13-10(14-4-2)15-9-5-7-12-8-6-11/h10,12H,3-9,11,15H2,1-2H3",C10H26N2O2Si,,,,,,MNJJTHFKDZQVKH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.703,274-496-4,70247-68-6,"Sodium 4-chloro-3-[4-[[2-[(2-chlorophenoxy)sulphonyl]phenyl]azo]-2,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-chloro-3-[4-({2-[(2-chlorophenoxy)sulfonyl]phenyl}diazenyl)-5-imino-3-methyl-2,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].Clc4ccccc4OS(=O)(=O)c3ccccc3N=N\\C2=C(/C)NN(c1cc(ccc1Cl)S([O-])(=O)=O)C2=N,[Na+].Clc4ccccc4OS(=O)(=O)c3ccccc3N=N\C2=C(/C)NN(c1cc(ccc1Cl)S([O-])(=O)=O)C2=N,"InChI=1/C22H17Cl2N5O6S2.Na/c1-13-21(22(25)29(28-13)18-12-14(36(30,31)32)10-11-15(18)23)27-26-17-7-3-5-9-20(17)37(33,34)35-19-8-4-2-6-16(19)24;/h2-12,25,28H,1H3,(H,30,31,32);/q;+1/p-1",C22H17Cl2N5O6S2.Na,,,,,,IXFMUIYTIWYGJY-UHFFFAOYSA-M,,,,,,,,,,,
100.067.704,274-498-5,70247-69-7,"Disodium 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)azo]]bis(3-hydroxynaphthalene-1-sulphonate)","disodium 4,4'-{(3,3'-dimethoxybiphenyl-4,4'-diyl)bis[carbamoyl(2-hydroxy-4,1-phenylene)diazene-2,1-diyl]}bis(3-hydroxynaphthalene-1-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c8cc(O)c(N=Nc1ccc(cc1O)C(=O)Nc2ccc(cc2OC)c6ccc(NC(=O)c5cc(O)c(N=Nc4c3ccccc3c(cc4O)S([O-])(=O)=O)cc5)c(OC)c6)c7ccccc78,[Na+].[Na+].[O-]S(=O)(=O)c8cc(O)c(N=Nc1ccc(cc1O)C(=O)Nc2ccc(cc2OC)c6ccc(NC(=O)c5cc(O)c(N=Nc4c3ccccc3c(cc4O)S([O-])(=O)=O)cc5)c(OC)c6)c7ccccc78,"InChI=1/C48H36N6O14S2.2Na/c1-67-41-21-25(11-17-35(41)49-47(59)27-13-15-33(37(55)19-27)51-53-45-31-9-5-3-7-29(31)43(23-39(45)57)69(61,62)63)26-12-18-36(42(22-26)68-2)50-48(60)28-14-16-34(38(56)20-28)52-54-46-32-10-6-4-8-30(32)44(24-40(46)58)70(64,65)66;;/h3-24,55-58H,1-2H3,(H,49,59)(H,50,60)(H,61,62,63)(H,64,65,66);;/q;2*+1/p-2",C48H36N6O14S2.2Na,,,,,,HSUWQXUFFFBTQL-UHFFFAOYSA-L,,,,,,,,,,,
100.068.856,275-765-9,71648-36-7,1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl phenylacetate,1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl phenylacetate,CC1=CCC(CC1)C(C)(C)OC(=O)Cc2ccccc2,CC1=CCC(CC1)C(C)(C)OC(=O)Cc2ccccc2,"InChI=1/C18H24O2/c1-14-9-11-16(12-10-14)18(2,3)20-17(19)13-15-7-5-4-6-8-15/h4-9,16H,10-13H2,1-3H3",C18H24O2,,,,,,DIRWDZLUWISLGU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.871,275-782-1,71662-17-4,"8,8-diethoxy-2,6-dimethyloct-2-ene","8,8-diethoxy-2,6-dimethyloct-2-ene",CCOC(CC(C)CCC=C(C)C)OCC,CCOC(CC(C)CCC=C(C)C)OCC,"InChI=1/C14H28O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,13-14H,6-8,10-11H2,1-5H3",C14H28O2,,,,,,HYNXWFKVWMABRM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.641,271-126-3,68516-01-8,"Phosphorodithioic acid, mixed O,O-bis(iso-Bu and pentyl) esters",O-isobutyl O-pentyl hydrogen dithiophosphate,CCCCCOP(=S)(S)OCC(C)C,CCCCCOP(=S)(S)OCC(C)C,"InChI=1/C9H21O2PS2/c1-4-5-6-7-10-12(13,14)11-8-9(2)3/h9H,4-8H2,1-3H3,(H,13,14)",-,,,,,,KEZYTBRZEHSOTF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.543,274-321-1,70117-12-3,2-chloro-N-[(octadecylamino)carbonyl]ethanesulphonamide,2-chloro-N-(octadecylcarbamoyl)ethanesulfonamide,CCCCCCCCCCCCCCCCCCNC(=O)NS(=O)(=O)CCCl,CCCCCCCCCCCCCCCCCCNC(=O)NS(=O)(=O)CCCl,"InChI=1/C21H43ClN2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(25)24-28(26,27)20-18-22/h2-20H2,1H3,(H2,23,24,25)",C21H43ClN2O3S,,,,,,UGURZQIXJUOTML-UHFFFAOYSA-N,,,,,,,,,,,
100.067.559,274-338-4,70146-07-5,"[2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl]diammonium sulphate","2,2'-dichlorobiphenyl-4,4'-diaminium sulfate",[NH3+]c1ccc(c(Cl)c1)c2ccc([NH3+])cc2Cl.[O-]S(=O)(=O)[O-],[NH3+]c1ccc(c(Cl)c1)c2ccc([NH3+])cc2Cl.[O-]S(=O)(=O)[O-],"InChI=1/C12H10Cl2N2.H2O4S/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14;1-5(2,3)4/h1-6H,15-16H2;(H2,1,2,3,4)",C12H10Cl2N2.H2O4S,,,,,,LBERMVXGBPSNNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.560,274-340-5,70146-08-6,2-ethoxyethyl [3-(diethylamino)phenyl]carbamate,2-ethoxyethyl [3-(diethylamino)phenyl]carbamate,CCOCCOC(=O)Nc1cccc(c1)N(CC)CC,CCOCCOC(=O)Nc1cccc(c1)N(CC)CC,"InChI=1/C15H24N2O3/c1-4-17(5-2)14-9-7-8-13(12-14)16-15(18)20-11-10-19-6-3/h7-9,12H,4-6,10-11H2,1-3H3,(H,16,18)",C15H24N2O3,,,,,,RZHNDBVTCQOYCF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.568,274-348-9,70161-13-6,"Trisodium 1-amino-4-[[4-[[4-chloro-6-[(2-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-{[4-({4-chloro-6-[(2-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)[O-])n5)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)[O-])n5)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C29H20ClN7O11S3.3Na/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3",C29H20ClN7O11S3.3Na,,,,,,KIRKGWILHWJIMS-UHFFFAOYSA-K,,,,,,,,,,,
100.062.100,268-329-4,68052-51-7,Tributylethylammonium ethyl sulphate,"N,N-dibutyl-N-ethylbutan-1-aminium ethyl sulfate",CCCC[N+](CC)(CCCC)CCCC.CCOS(=O)(=O)[O-],CCCC[N+](CC)(CCCC)CCCC.CCOS(=O)(=O)[O-],"InChI=1/C14H32N.C2H6O4S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-2-6-7(3,4)5/h5-14H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C14H32N.C2H5O4S,,,,,,GELDODMEEMXBIV-UHFFFAOYSA-M,,,,,,,,,,,
100.062.102,268-332-0,68057-99-8,"Potassium sodium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate","potassium sodium 2,2'-ethene-1,2-diylbis[5-(4-phenyl-2H-1,2,3-triazol-2-yl)benzenesulfonate]",[Na+].[K+].[O-]S(=O)(=O)c1cc(ccc1\\C=C\\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6,[Na+].[K+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6,"InChI=1/C30H22N6O6S2.K.Na/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;;/h1-20H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H22N6O6S2.K.Na,,,,,,ACXNMSHTEIVGRM-YHPRVSEPSA-L,,,,,,,,,,,
100.062.107,268-337-8,68069-84-1,Pentaacetyl-alpha-D-glucopyranose,"1,2,3,4,6-penta-O-acetyl-alpha-D-glucopyranose",CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,"InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3",C16H22O11,,,,,,LPTITAGPBXDDGR-LJIZCISZSA-N,,,,,,,,,,,
100.062.112,268-343-0,68072-36-6,"2,5-diethoxy-4-(ethylamino)benzenediazonium tetrachlorozincate (2:1)","bis[2,5-diethoxy-4-(ethylamino)benzenediazonium] tetrachlorozincate(2-)",CCNc1cc(OCC)c(cc1OCC)[N+]#N.CCNc2cc(OCC)c(cc2OCC)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCNc1cc(OCC)c(cc1OCC)[N+]#N.CCNc2cc(OCC)c(cc2OCC)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C12H18N3O2.4ClH.Zn/c2*1-4-14-9-7-12(17-6-3)10(15-13)8-11(9)16-5-2;;;;;/h2*7-8,14H,4-6H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C12H18N3O2.Cl4Zn/c2*1-4-14-9-7-12(17-6-3)10(15-13)8-11(9)16-5-2;1-5(2,3)4/h2*7-8,14H,4-6H2,1-3H3;/q2*+1;-2",C12H18N3O2.1/2Cl4Zn,,,,,,UVGXMIOSRBTQIE-UHFFFAOYSA-J,,,,,,,,,,,
100.062.115,268-346-7,68072-52-6,"N,N',N''-tris(methoxymethyl)-N,N',N''-tris[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine","N,N',N''-tris(methoxymethyl)-N,N',N''-tris[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine",CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COC)COCCCCCCCCCCCCCCCCCC)N(COC)COCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COC)COCCCCCCCCCCCCCCCCCC)N(COC)COCCCCCCCCCCCCCCCCCC,"InChI=1/C66H132N6O6/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-76-61-70(58-73-4)64-67-65(71(59-74-5)62-77-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)69-66(68-64)72(60-75-6)63-78-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h7-63H2,1-6H3",C66H132N6O6,,,,,,XADFCWWZSYBFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.125,299-185-0,93857-50-2,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C13H6F23O4P.2H3N/c14-3(15,1-2-40-41(37,38)39)5(17,18)7(21,22)9(25,26)11(29,30)10(27,28)8(23,24)6(19,20)4(16,12(31,32)33)13(34,35)36;;/h1-2H2,(H2,37,38,39);2*1H3",C13H6F23O4P.2H3N,,,,,,DEUIIZYVEDWQCF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.126,299-186-6,93857-51-3,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C15H6F27O4P.2H3N/c16-3(17,1-2-46-47(43,44)45)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)12(33,34)10(29,30)8(25,26)6(21,22)4(18,14(37,38)39)15(40,41)42;;/h1-2H2,(H2,43,44,45);2*1H3",C15H6F27O4P.2H3N,,,,,,ARRIVQGBPVGHMV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.129,299-189-2,93857-54-6,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl] hydrogen phosphate","bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl) hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C36H9F66O4P/c37-5(38,7(41,42)9(45,46)11(49,50)13(53,54)15(57,58)17(61,62)19(65,66)21(69,70)23(73,74)25(77,78)27(81,82)29(85,86)31(89,90)33(93,94)35(97,98)99)1-3-105-107(103,104)106-4-2-6(39,40)8(43,44)10(47,48)12(51,52)14(55,56)16(59,60)18(63,64)20(67,68)22(71,72)24(75,76)26(79,80)28(83,84)30(87,88)32(91,92)34(95,96)36(100,101)102/h1-4H2,(H,103,104)",C36H9F66O4P,,,,,,UWTYLCUAYINOEF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.790,301-014-2,93966-62-2,"Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl] azelate","bis(2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}ethyl) azelaate",CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C39H46N6O4/c1-5-44(36-16-14-34(30(3)22-36)24-32(26-40)27-41)18-20-48-38(46)12-10-8-7-9-11-13-39(47)49-21-19-45(6-2)37-17-15-35(31(4)23-37)25-33(28-42)29-43/h14-17,22-25H,5-13,18-21H2,1-4H3",C39H46N6O4,,,,,,YFQBDOXXTMOVIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.799,301-024-7,93966-71-3,"[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide","N-(4-{[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydroxide",[OH-].CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14,[OH-].CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14,"InChI=1/C33H39N3.H2O/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H2",C33H40N3.HO,,,,,,LOYNTPTWRYDOHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.169,275-009-8,70900-41-3,"Trisodium 1-amino-4-[[3-[[4-chloro-6-(4-sulphonatophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-[(3-{[4-chloro-6-(4-sulfonatophenoxy)-1,3,5-triazin-2-yl]amino}-2,4,6-trimethyl-5-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Oc6ccc(cc6)S(=O)(=O)[O-])n5)S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Oc6ccc(cc6)S(=O)(=O)[O-])n5)S(=O)(=O)[O-],"InChI=1/C32H25ClN6O12S3.3Na/c1-13-25(35-20-12-21(53(45,46)47)24(34)23-22(20)27(40)18-6-4-5-7-19(18)28(23)41)14(2)29(54(48,49)50)15(3)26(13)36-31-37-30(33)38-32(39-31)51-16-8-10-17(11-9-16)52(42,43)44;;;/h4-12,35H,34H2,1-3H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,36,37,38,39);;;/q;3*+1/p-3",C32H25ClN6O12S3.3Na,,,,,,BEWFIUGVZTWSRR-UHFFFAOYSA-K,,,,,,,,,,,
100.068.171,275-011-9,70900-43-5,"2,2'-[[3-methyl-4-[(4-nitrophenyl)azo]phenyl]imino]bisethyl diacetate","({3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(C)c2,CC(=O)OCCN(CCOC(C)=O)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(C)c2,"InChI=1/C21H24N4O6/c1-15-14-20(24(10-12-30-16(2)26)11-13-31-17(3)27)8-9-21(15)23-22-18-4-6-19(7-5-18)25(28)29/h4-9,14H,10-13H2,1-3H3",C21H24N4O6,,,,,,OKNNQIQDIHROSO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.181,275-022-9,70916-35-7,"Sodium N,N-diethylsulphanilate",sodium 4-(diethylamino)benzenesulfonate,[Na+].CCN(CC)c1ccc(cc1)S(=O)(=O)[O-],[Na+].CCN(CC)c1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C10H15NO3S.Na/c1-3-11(4-2)9-5-7-10(8-6-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1",C10H15NO3S.Na,,,,,,QJBONFOEPUFXPR-UHFFFAOYSA-M,,,,,,,,,,,
100.068.190,275-032-3,70942-04-0,"1-bromo-3-[4'-bromo(1,1'-biphenyl)-4-yl]-1,2,3,4-tetrahydronaphthalene","4-bromo-4'-(4-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)biphenyl",BrC1CC(Cc2ccccc12)c3ccc(cc3)c4ccc(Br)cc4,BrC1CC(Cc2ccccc12)c3ccc(cc3)c4ccc(Br)cc4,"InChI=1/C22H18Br2/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19,22H,13-14H2",C22H18Br2,,,,,,BWKINSGUBIEAFH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.196,275-039-1,70942-31-3,"2-(dimethylamino)ethyl (Z,Z)-11,11-dibutyl-2-methyl-6,9,13-trioxo-2-aza-11-stannahexadeca-7,14-dien-16-oate","2-(dimethylamino)ethyl 5-{dibutyl[8-(dimethylamino)-2,5-dioxooct-3-en-1-yl]stannyl}-4-oxopent-2-enoate",CCCC[Sn](CCCC)(CC(=O)\\C=C/C(=O)CCCN(C)C)CC(=O)\\C=C/C(=O)OCCN(C)C,CCCC[Sn](CCCC)(CC(=O)\C=C/C(=O)CCCN(C)C)CC(=O)\C=C/C(=O)OCCN(C)C,"InChI=1/C10H16NO2.C9H14NO3.2C4H9.Sn/c1-9(12)6-7-10(13)5-4-8-11(2)3;1-8(11)4-5-9(12)13-7-6-10(2)3;2*1-3-4-2;/h6-7H,1,4-5,8H2,2-3H3;4-5H,1,6-7H2,2-3H3;2*1,3-4H2,2H3;/rC27H48N2O5Sn/c1-7-9-20-35(21-10-8-2,22-25(31)14-13-24(30)12-11-17-28(3)4)23-26(32)15-16-27(33)34-19-18-29(5)6/h13-16H,7-12,17-23H2,1-6H3",C24H42N2O8Sn,,,,,,DSEKMIVKJFVXKL-QQUGFSODSA-N,,,,,,,,,,,
100.068.199,275-042-8,70942-35-7,"Dimethyl 11-butyl-11-[[2-[(6-methoxy-1,6-dioxohexyl)oxy]ethyl]thio]-6,16-dioxo-7,15-dioxa-10,12-dithia-11-stannahenicosanedioate","dimethyl 11-butyl-11-({2-[(6-methoxy-6-oxohexanoyl)oxy]ethyl}sulfanyl)-6,16-dioxo-7,15-dioxa-10,12-dithia-11-stannahenicosane-1,21-dioate",CCCC[Sn](SCCOC(=O)CCCCC(=O)OC)(SCCOC(=O)CCCCC(=O)OC)SCCOC(=O)CCCCC(=O)OC,CCCC[Sn](SCCOC(=O)CCCCC(=O)OC)(SCCOC(=O)CCCCC(=O)OC)SCCOC(=O)CCCCC(=O)OC,"InChI=1/3C9H16O4S.C4H9.Sn/c3*1-12-8(10)4-2-3-5-9(11)13-6-7-14;1-3-4-2;/h3*14H,2-7H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC31H54O12S3Sn/c1-5-6-25-47(44-22-19-41-29(35)16-10-7-13-26(32)38-2,45-23-20-42-30(36)17-11-8-14-27(33)39-3)46-24-21-43-31(37)18-12-9-15-28(34)40-4/h5-25H2,1-4H3",C31H54O12S3Sn,,,,,,RRIPBCHCSCNKKP-UHFFFAOYSA-K,,,,,,,,,,,
100.062.964,269-281-7,68214-01-7,Sodium m-[(p-aminophenyl)azo]benzenesulphonate,sodium 3-[(4-aminophenyl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c2cccc(N=Nc1ccc(N)cc1)c2,[Na+].[O-]S(=O)(=O)c2cccc(N=Nc1ccc(N)cc1)c2,"InChI=1/C12H11N3O3S.Na/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1",C12H11N3O3S.Na,,,,,,LOMIKALXICPUQX-UHFFFAOYSA-M,,,,,,,,,,,
100.090.571,299-674-9,93893-82-4,2-hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate,2-hydroxy-1-methylethyl 4-oxo-4-{[2-(2-oxoimidazolidin-1-yl)ethyl]amino}but-2-enoate,CC(CO)OC(=O)\\C=C/C(=O)NCCN1CCNC1=O,CC(CO)OC(=O)\C=C/C(=O)NCCN1CCNC1=O,"InChI=1/C12H19N3O5/c1-9(8-16)20-11(18)3-2-10(17)13-4-6-15-7-5-14-12(15)19/h2-3,9,16H,4-8H2,1H3,(H,13,17)(H,14,19)",C12H19N3O5,,,,,,DSMSRPBXKPPAFV-IHWYPQMZSA-N,,,,,,,,,,,
100.092.595,301-901-4,94087-09-9,Strontium decanoate,strontium didecanoate,[Sr+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/2C10H20O2.Sr/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Sr,,,,,,KKOOWUQBAYIABB-UHFFFAOYSA-L,,,,,,,,,,,
100.092.601,301-908-2,94087-16-8,1-[2-[[ß-cyano-4-(dimethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate,1-[2-({3-cyano-3-[4-(dimethylamino)phenyl]acryloyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 4-methylbenzenesulfonate,CN(C)c1ccc(cc1)\\C(=C\\C(=O)OCC[N+]2(C)C=CN=C2)\\C#N.Cc3ccc(cc3)S(=O)(=O)[O-],CN(C)c1ccc(cc1)\C(=C\C(=O)OCC[N+]2(C)C=CN=C2)\C#N.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C18H21N4O2.C7H8O3S/c1-21(2)17-6-4-15(5-7-17)16(13-19)12-18(23)24-11-10-22(3)9-8-20-14-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,12,14H,10-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C18H21N4O2.C7H7O3S,,,,,,ZUESHFKQWIFBSO-CLNHMMGSSA-M,,,,,,,,,,,
100.092.605,301-912-4,94087-20-4,"L-tryptophan, compound with 5-oxo-L-proline (1:1)",5-oxo-L-proline - tryptophan (1:1),N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.OC(=O)[C@@H]3CCC(=O)N3,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C11H12N2O2.C5H7NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;7-4-2-1-3(6-4)5(8)9/h1-4,6,9,13H,5,12H2,(H,14,15);3H,1-2H2,(H,6,7)(H,8,9)",C11H12N2O2.C5H7NO3,,,,,,UNVNSUTYXMJECP-SCKZZFMESA-N,,,,,,,,,,,
100.092.607,301-915-0,94087-22-6,"2,2,5-trimethylhex-4-enyl acetate","2,2,5-trimethylhex-4-en-1-yl acetate",CC(=CCC(C)(C)COC(=O)C)C,CC(=CCC(C)(C)COC(=O)C)C,"InChI=1/C11H20O2/c1-9(2)6-7-11(4,5)8-13-10(3)12/h6H,7-8H2,1-5H3",C11H20O2,,,,,,GRPUBXWYKFLPCY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.619,301-928-1,94087-34-0,"3-(piperidin-1-ylmethoxy)-1,2-benzisothiazole","3-(piperidin-1-ylmethoxy)-1,2-benzisothiazole",C(Oc1nsc2ccccc12)N3CCCCC3,C(Oc1nsc2ccccc12)N3CCCCC3,"InChI=1/C13H16N2OS/c1-4-8-15(9-5-1)10-16-13-11-6-2-3-7-12(11)17-14-13/h2-3,6-7H,1,4-5,8-10H2",C13H16N2OS,,,,,,HJXUOFPXICRUTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.086.828,295-555-0,92071-84-6,"(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)trimethylammonium iodide","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxy-N,N,N-trimethylundecan-1-aminium iodide",[I-].C[N+](C)(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](C)(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H15F17NO.HI/c1-32(2,3)5-6(33)4-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31;/h6,33H,4-5H2,1-3H3;1H/q+1;/p-1",C14H15F17NO.I,,,,,,JJQUHEQVLGAENB-UHFFFAOYSA-M,,,,,,,,,,,
100.090.590,299-695-3,93894-02-1,"1,4:3,6-dianhydro-D-mannitol didodecanoate","1,4:3,6-dianhydro-2,5-di-O-dodecanoyl-D-mannitol",CCCCCCCCCCCC(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)CCCCCCCCCCC,"InChI=1/C30H54O6/c1-3-5-7-9-11-13-15-17-19-21-27(31)35-25-23-33-30-26(24-34-29(25)30)36-28(32)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3",C30H54O6,,,,,,PVLSEUVJZATYSQ-OIWKEWRZSA-N,,,,,,,,,,,
100.090.594,299-700-9,93894-06-5,Aluminium (Z)-hexadec-9-enoate,aluminum trihexadec-9-enoate,[Al+3].CCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCC\\C=C/CCCCCCCC(=O)[O-],[Al+3].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C16H30O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;;+3/p-3",C16H30O2.1/3Al,,,,,,YITMMULRTZBHKV-LWTKGLMZSA-K,,,,,,,,,,,
100.090.597,299-704-0,93894-09-8,"Cadmium bis[p-(1,1,3,3-tetramethylbutyl)phenolate]","cadmium bis[4-(1,1,3,3-tetramethylbutyl)phenolate]",[Cd+2].CC(C)(C)CC(C)(C)c1ccc([O-])cc1.CC(C)(C)CC(C)(C)c2ccc([O-])cc2,[Cd+2].CC(C)(C)CC(C)(C)c1ccc([O-])cc1.CC(C)(C)CC(C)(C)c2ccc([O-])cc2,"InChI=1/2C14H22O.Cd/c2*1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;/h2*6-9,15H,10H2,1-5H3;/q;;+2/p-2",C14H22O.1/2Cd,,,,,,IRUWXUXWIXDTAG-UHFFFAOYSA-L,,,,,,,,,,,
100.090.602,299-709-8,93894-14-5,2-(2-butoxyethoxy)ethyl palmitate,2-(2-butoxyethoxy)ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC,CCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC,"InChI=1/C24H48O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24(25)28-23-22-27-21-20-26-19-6-4-2/h3-23H2,1-2H3",C24H48O4,,,,,,TXEMJSOGSIWQCD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.606,299-714-5,93894-18-9,Allylbis(2-hydroxyethyl)tetradecylammonium chloride,"N-allyl-N,N-bis(2-hydroxyethyl)tetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C,[Cl-].CCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C,"InChI=1/C21H44NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22(16-4-2,18-20-23)19-21-24;/h4,23-24H,2-3,5-21H2,1H3;1H/q+1;/p-1",C21H44NO2.Cl,,,,,,NHJBVVXYVGXMRS-UHFFFAOYSA-M,,,,,,,,,,,
100.090.607,299-715-0,93894-19-0,Allyldodecylbis(2-hydroxyethyl)ammonium chloride,"N-allyl-N,N-bis(2-hydroxyethyl)dodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)CC=C,[Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)CC=C,"InChI=1/C19H40NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-15-20(14-4-2,16-18-21)17-19-22;/h4,21-22H,2-3,5-19H2,1H3;1H/q+1;/p-1",C19H40NO2.Cl,,,,,,NFMBXLINPLPHFK-UHFFFAOYSA-M,,,,,,,,,,,
100.067.570,274-351-5,70161-15-8,"Hexasodium 7,7'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis(naphthalene-1,3,6-trisulphonate)","hexasodium 7,7'-(1,4-phenylenebis{imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(carbamoylamino)-4,1-phenylene]diazene-2,1-diyl})dinaphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)Nc9ccc(Nc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc7)nc(Cl)n8)cc9)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)Nc9ccc(Nc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc7)nc(Cl)n8)cc9)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C46H34Cl2N18O20S6.6Na/c47-39-57-43(61-45(59-39)53-23-5-7-29(31(13-23)55-41(49)67)63-65-33-17-27-19(11-37(33)91(81,82)83)9-25(87(69,70)71)15-35(27)89(75,76)77)51-21-1-2-22(4-3-21)52-44-58-40(48)60-46(62-44)54-24-6-8-30(32(14-24)56-42(50)68)64-66-34-18-28-20(12-38(34)92(84,85)86)10-26(88(72,73)74)16-36(28)90(78,79)80;;;;;;/h1-18H,(H3,49,55,67)(H3,50,56,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,51,53,57,59,61)(H2,52,54,58,60,62);;;;;;/q;6*+1/p-6",C46H34Cl2N18O20S6.6Na,,,,,,OSHPPLKDLUFFQM-UHFFFAOYSA-H,,,,,,,,,,,
100.067.573,274-354-1,70161-18-1,"Disodium 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxysulphonyl-2,1-phenyleneazo)]bis[6-aminonaphthalene-1-sulphonate]","disodium 5,5'-[propane-2,2-diylbis(4,1-phenyleneoxysulfonyl-2,1-phenylenediazene-2,1-diyl)]bis(6-aminonaphthalene-1-sulfonate)",[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)C(C)(C)c5ccc(OS(=O)(=O)c4ccccc4N=Nc2c3cccc(c3ccc2N)S([O-])(=O)=O)cc5)c8ccccc8N=Nc6c7cccc(c7ccc6N)S([O-])(=O)=O,[Na+].[Na+].O=S(=O)(Oc1ccc(cc1)C(C)(C)c5ccc(OS(=O)(=O)c4ccccc4N=Nc2c3cccc(c3ccc2N)S([O-])(=O)=O)cc5)c8ccccc8N=Nc6c7cccc(c7ccc6N)S([O-])(=O)=O,"InChI=1/C47H38N6O12S4.2Na/c1-47(2,29-17-21-31(22-18-29)64-68(60,61)43-13-5-3-11-39(43)50-52-45-35-9-7-15-41(66(54,55)56)33(35)25-27-37(45)48)30-19-23-32(24-20-30)65-69(62,63)44-14-6-4-12-40(44)51-53-46-36-10-8-16-42(67(57,58)59)34(36)26-28-38(46)49;;/h3-28H,48-49H2,1-2H3,(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2",C47H38N6O12S4.2Na,,,,,,YSXLJTGZMRNQSG-UHFFFAOYSA-L,,,,,,,,,,,
100.067.732,274-529-2,70281-93-5,Potassium N-[(heptadecafluorooctyl)sulphonyl]-N-methylglycinate,potassium {[(heptadecafluorooctyl)sulfonyl](methyl)amino}acetate,[K+].CN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].CN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H6F17NO4S.K/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26;/h2H2,1H3,(H,30,31);/q;+1/p-1",C11H6F17NO4S.K,,,,,,HMGJLBJCTGOYGB-UHFFFAOYSA-M,,,,,,,,,,,
100.067.734,274-531-3,70283-15-7,(Z)-N-(9-ethyl-9H-carbazol-3-yl)-9-octadecenamide,N-(9-ethyl-9H-carbazol-3-yl)octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)Nc1ccc2c(c1)c3ccccc3n2CC,CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccc2c(c1)c3ccccc3n2CC,"InChI=1/C32H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32(35)33-27-24-25-31-29(26-27)28-21-19-20-22-30(28)34(31)4-2/h11-12,19-22,24-26H,3-10,13-18,23H2,1-2H3,(H,33,35)",C32H46N2O,,,,,,HJBKRORLQKPAFB-QXMHVHEDSA-N,,,,,,,,,,,
100.067.740,274-538-1,70288-97-0,1-chloro-3-(dibromomethyl)benzene,1-chloro-3-(dibromomethyl)benzene,Clc1cccc(c1)C(Br)Br,Clc1cccc(c1)C(Br)Br,"InChI=1/C7H5Br2Cl/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H",C7H5Br2Cl,,,,,,GXTJYNIKOLTVNC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.742,274-540-2,70289-00-8,<U+03B3>-(1-methylethoxy)benzenebutyronitrile,4-isopropoxy-4-phenylbutanenitrile,CC(C)OC(CCC#N)c1ccccc1,CC(C)OC(CCC#N)c1ccccc1,"InChI=1/C13H17NO/c1-11(2)15-13(9-6-10-14)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9H2,1-2H3",C13H17NO,,,,,,KBAUUAZQHABMLG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.743,274-541-8,70289-09-7,2-(dodecyloxy)pyridine,2-(dodecyloxy)pyridine,CCCCCCCCCCCCOc1ccccn1,CCCCCCCCCCCCOc1ccccn1,"InChI=1/C17H29NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-17/h11-12,14-15H,2-10,13,16H2,1H3",C17H29NO,,,,,,PQKOSPVOQVXHCT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.744,274-542-3,70289-27-9,Octyl 2-pyridyl ether,2-(octyloxy)pyridine,CCCCCCCCOc1ccccn1,CCCCCCCCOc1ccccn1,"InChI=1/C13H21NO/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14-13/h7-8,10-11H,2-6,9,12H2,1H3",C13H21NO,,,,,,YRRNIRAKWMOLTK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.745,274-543-9,70289-37-1,Nonyl cyclohexanecarboxylate,nonyl cyclohexanecarboxylate,CCCCCCCCCOC(=O)C1CCCCC1,CCCCCCCCCOC(=O)C1CCCCC1,"InChI=1/C16H30O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h15H,2-14H2,1H3",C16H30O2,,,,,,VRJLOADUMBZEBS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.746,274-544-4,70289-38-2,4-chloro-4'-isopropylbutyrophenone,4-chloro-1-(4-isopropylphenyl)butan-1-one,CC(C)c1ccc(cc1)C(=O)CCCCl,CC(C)c1ccc(cc1)C(=O)CCCCl,"InChI=1/C13H17ClO/c1-10(2)11-5-7-12(8-6-11)13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3",C13H17ClO,,,,,,BGOQEVLEIPPQID-UHFFFAOYSA-N,,,,,,,,,,,
100.069.502,276-475-5,72208-25-4,[4-[[3-chloro-4-[(2-cyanoethyl)amino]phenyl]azo]phenacyl]trimethylammonium chloride,"2-[4-({3-chloro-4-[(2-cyanoethyl)amino]phenyl}diazenyl)phenyl]-N,N,N-trimethyl-2-oxoethanaminium chloride",[Cl-].Clc1cc(ccc1NCCC#N)N=Nc2ccc(cc2)C(=O)C[N+](C)(C)C,[Cl-].Clc1cc(ccc1NCCC#N)N=Nc2ccc(cc2)C(=O)C[N+](C)(C)C,"InChI=1/C20H22ClN5O.ClH/c1-26(2,3)14-20(27)15-5-7-16(8-6-15)24-25-17-9-10-19(18(21)13-17)23-12-4-11-22;/h5-10,13H,4,12,14H2,1-3H3;1H",C20H23ClN5O.Cl,,,,,,ZHXRHMBPWISTQE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.131,299-191-3,93857-56-8,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl] hydrogen phosphate","bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl] hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C30H9F54O4P/c31-5(32,9(37,38)13(45,46)17(53,54)21(61,62)25(69,70)23(65,66)19(57,58)15(49,50)11(41,42)7(35,27(73,74)75)28(76,77)78)1-3-87-89(85,86)88-4-2-6(33,34)10(39,40)14(47,48)18(55,56)22(63,64)26(71,72)24(67,68)20(59,60)16(51,52)12(43,44)8(36,29(79,80)81)30(82,83)84/h1-4H2,(H,85,86)",C30H9F54O4P,,,,,,ICJWISPFZMNUHE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.139,299-200-0,93857-64-8,Sodium (2-naphthylthio)acetate,sodium (2-naphthylsulfanyl)acetate,[Na+].[O-]C(=O)CSc1ccc2ccccc2c1,[Na+].[O-]C(=O)CSc1ccc2ccccc2c1,"InChI=1/C12H10O2S.Na/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;/h1-7H,8H2,(H,13,14);/q;+1/p-1",C12H10O2S.Na,,,,,,MUPVREPNMPZHGK-UHFFFAOYSA-M,,,,,,,,,,,
100.090.144,299-205-8,93857-69-3,"Ethyl 2-[(2,4-dichloro-6-sulphophenyl)azo]-3-oxoicosanoate","3,5-dichloro-2-{[1-(ethoxycarbonyl)-2-oxononadecyl]diazenyl}benzenesulfonic acid",Clc1cc(Cl)cc(c1N=NC(C(=O)CCCCCCCCCCCCCCCCC)C(=O)OCC)S(O)(=O)=O,Clc1cc(Cl)cc(c1N=NC(C(=O)CCCCCCCCCCCCCCCCC)C(=O)OCC)S(O)(=O)=O,"InChI=1/C28H44Cl2N2O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(33)27(28(34)38-4-2)32-31-26-23(30)20-22(29)21-25(26)39(35,36)37/h20-21,27H,3-19H2,1-2H3,(H,35,36,37)",C28H44Cl2N2O6S,,,,,,GQDIVMMZRYJYGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.390,268-649-4,68132-81-0,Sodium 2-[2-[2-[bis(2-methylpropyl)phenoxy]ethoxy]ethoxy]ethanesulphonate,"sodium 2-{2-[2-(2,3-diisobutylphenoxy)ethoxy]ethoxy}ethanesulfonate",[Na+].CC(C)Cc1cccc(OCCOCCOCCS(=O)(=O)[O-])c1CC(C)C,[Na+].CC(C)Cc1cccc(OCCOCCOCCS(=O)(=O)[O-])c1CC(C)C,"InChI=1/C20H34O6S.Na/c1-16(2)14-18-6-5-7-20(19(18)15-17(3)4)26-11-10-24-8-9-25-12-13-27(21,22)23;/h5-7,16-17H,8-15H2,1-4H3,(H,21,22,23);/q;+1/p-1",C20H34O6S.Na,,,,,,OVARYIQRZRIDQY-UHFFFAOYSA-M,,,,,,,,,,,
100.062.398,268-658-3,68132-94-5,Lithium diethyldiphenylborate(1-),lithium diethyl(diphenyl)borate(1-),[Li+].CC[B-](CC)(c1ccccc1)c2ccccc2,[Li+].CC[B-](CC)(c1ccccc1)c2ccccc2,"InChI=1/C16H20B.Li/c1-3-17(4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16;/h5-14H,3-4H2,1-2H3;/q-1;+1",C16H20B.Li,,,,,,CNPVKAQKASIASK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.400,268-660-4,68133-02-8,"5,8-dibromo-2-(3-hydroxyquinolin-2-yl)-1H-benz[f]indene-1,3(2H)-dione","5,8-dibromo-2-(3-hydroxyquinolin-2-yl)-1H-cyclopenta[b]naphthalene-1,3(2H)-dione",Oc1cc2ccccc2nc1C3C(=O)c4cc5c(Br)ccc(Br)c5cc4C3=O,Oc1cc2ccccc2nc1C3C(=O)c4cc5c(Br)ccc(Br)c5cc4C3=O,"InChI=1/C22H11Br2NO3/c23-15-5-6-16(24)12-9-14-13(8-11(12)15)21(27)19(22(14)28)20-18(26)7-10-3-1-2-4-17(10)25-20/h1-9,19,26H",C22H11Br2NO3,,,,,,FPBQUHACHGFYSM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.402,268-663-0,68133-05-1,Sodium 5-[(2-hydroxy-1-naphthyl)azo]naphthalene-2-sulphonate,sodium 5-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c1ccc4c(c1)cccc4N=Nc2c3ccccc3ccc2O,[Na+].[O-]S(=O)(=O)c1ccc4c(c1)cccc4N=Nc2c3ccccc3ccc2O,"InChI=1/C20H14N2O4S.Na/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18;/h1-12,23H,(H,24,25,26);/q;+1/p-1",C20H14N2O4S.Na,,,,,,ZQZDZGKEAGXSSW-UHFFFAOYSA-M,,,,,,,,,,,
100.062.410,268-671-4,68133-28-8,Sodium hydrogen 6-(acetylmethylamino)-4-hydroxy-3-[(3-phosphonatophenyl)azo]naphthalene-2-sulphonate,-,[H+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=Nc3c(cc2ccc(cc2c3O)N(C)C(C)=O)S([O-])(=O)=O,[H+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=Nc3c(cc2ccc(cc2c3O)N(C)C(C)=O)S([O-])(=O)=O,"InChI=1/C19H18N3O8PS.Na.H2/c1-11(23)22(2)14-7-6-12-8-17(32(28,29)30)18(19(24)16(12)10-14)21-20-13-4-3-5-15(9-13)31(25,26)27;;/h3-10,24H,1-2H3,(H2,25,26,27)(H,28,29,30);;1H/q;2*+1/p-3",C19H18N3O8PS.Na,,,,,,AIYGOWFIMPNYJA-UHFFFAOYSA-L,,,,,,,,,,,
100.067.990,274-812-0,70715-09-2,Dibutyl [[(diethylamino)thioxomethyl]thio]succinate,dibutyl 2-[(diethylcarbamothioyl)sulfanyl]succinate,CCCCOC(=O)CC(SC(=S)N(CC)CC)C(=O)OCCCC,CCCCOC(=O)CC(SC(=S)N(CC)CC)C(=O)OCCCC,"InChI=1/C17H31NO4S2/c1-5-9-11-21-15(19)13-14(16(20)22-12-10-6-2)24-17(23)18(7-3)8-4/h14H,5-13H2,1-4H3",C17H31NO4S2,,,,,,PWMKDAYGQYJJMT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.992,274-814-1,70715-11-6,"Oleic acid, compound with N,N-dimethyltetradecylamine (1:1)","octadec-9-enoic acid - N,N-dimethyltetradecan-1-amine (1:1)",CCCCCCCCCCCCCCN(C)C.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCCCCCCCCN(C)C.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C18H34O2.C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-16H2,1-3H3",C18H34O2.C16H35N,,,,,,URQJVDIQFZLSQF-KVVVOXFISA-N,,,,,,,,,,,
100.069.251,276-199-5,71929-28-7,"2,2,6,6-tetrachlorocyclohexyl acetate","2,2,6,6-tetrachlorocyclohexyl acetate",CC(=O)OC1C(Cl)(Cl)CCCC1(Cl)Cl,CC(=O)OC1C(Cl)(Cl)CCCC1(Cl)Cl,"InChI=1/C8H10Cl4O2/c1-5(13)14-6-7(9,10)3-2-4-8(6,11)12/h6H,2-4H2,1H3",C8H10Cl4O2,,,,,,QCHLSEMLIFZQLY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.258,276-207-7,71958-94-6,"Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, sodium salt",-,[Na+].COC(=O)C1C(=O)CC(=O)CC1(C)C,[Na+].COC(=O)C1C(=O)CC(=O)CC1(C)C,"InChI=1/C10H14O4.Na/c1-10(2)5-6(11)4-7(12)8(10)9(13)14-3;/h8H,4-5H2,1-3H3;/q;+1",C10H13O4.Na,,,,,,ZBXIDKSQFAJUIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.259,276-208-2,71959-95-0,"Methyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate","2-(2-methoxy-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid",COC(=O)Cc1c(C(=O)O)c(C)cn1C,COC(=O)Cc1c(C(=O)O)c(C)cn1C,"InChI=1/C10H13NO4/c1-6-5-11(2)7(4-8(12)15-3)9(6)10(13)14/h5H,4H2,1-3H3,(H,13,14)",C10H13NO4,,,,,,CEDSJOYSTAOUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.971,269-289-0,68214-25-5,Benzyltriphenylphosphonium tetrachlorocadmate,bis[benzyl(triphenyl)phosphonium] tetrachlorocadmate(2-),Cl[Cd-2](Cl)(Cl)Cl.C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4.C(c5ccccc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8,Cl[Cd-2](Cl)(Cl)Cl.C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4.C(c5ccccc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8,"InChI=1/2C25H22P.Cd.4ClH/c2*1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;;;/h2*1-20H,21H2;;4*1H/q2*+1;+2;;;;/p-4/r2C25H22P.CdCl4/c2*1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h2*1-20H,21H2;/q2*+1;-2",C25H22P.1/2CdCl4,,,,,,MDNRZBQCAXHOEE-UHFFFAOYSA-J,,,,,,,,,,,
100.062.977,269-295-3,68214-50-6,N-(3-amino-3-oxopropyl)-N-[2-[(3-amino-3-oxopropyl)[2-(stearoylamino)ethyl]amino]ethyl]stearamide monoacetate,N-(3-amino-3-oxopropyl)-N-(2-{(3-amino-3-oxopropyl)[2-(stearoylamino)ethyl]amino}ethyl)octadecanamide acetate (non-preferred name),CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(=O)N)C(=O)CCCCCCCCCCCCCCCCC)CCC(=O)N.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(=O)N)C(=O)CCCCCCCCCCCCCCCCC)CCC(=O)N.CC(=O)O,"InChI=1/C46H91N5O4.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)49-37-40-50(38-35-43(47)52)41-42-51(39-36-44(48)53)46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-42H2,1-2H3,(H2,47,52)(H2,48,53)(H,49,54);1H3,(H,3,4)",C46H91N5O4.C2H4O2,,,,,,OVXAKYQEBSPMPU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.985,269-305-6,68214-63-1,"5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(phenylamino)nicotinonitrile","1-anilino-5-[(3,4-dichlorophenyl)diazenyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",Clc1ccc(cc1Cl)N=N/C3=C(\\O)N(Nc2ccccc2)C(=O)C(/C#N)=C3/C,Clc1ccc(cc1Cl)N=N/C3=C(\O)N(Nc2ccccc2)C(=O)C(/C#N)=C3/C,"InChI=1/C19H13Cl2N5O2/c1-11-14(10-22)18(27)26(25-12-5-3-2-4-6-12)19(28)17(11)24-23-13-7-8-15(20)16(21)9-13/h2-9,25,28H,1H3",C19H13Cl2N5O2,,,,,,HKZDIAUAQOHCQE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.986,269-306-1,68214-64-2,"5-[(3-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(phenylamino)nicotinonitrile","1-anilino-5-[(3-chlorophenyl)diazenyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",Clc1cccc(c1)N=N/C3=C(\\O)N(Nc2ccccc2)C(=O)C(/C#N)=C3/C,Clc1cccc(c1)N=N/C3=C(\O)N(Nc2ccccc2)C(=O)C(/C#N)=C3/C,"InChI=1/C19H14ClN5O2/c1-12-16(11-21)18(26)25(24-14-7-3-2-4-8-14)19(27)17(12)23-22-15-9-5-6-13(20)10-15/h2-10,24,27H,1H3",C19H14ClN5O2,,,,,,VUUPJZOMEVYEJV-UHFFFAOYSA-N,,,,,,,,,,,
100.062.987,269-307-7,68214-65-3,3-chloro-N-[2-[(2-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]propionamide,3-chloro-N-{2-[(2-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}propanamide,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(=O)CCCl)N(CC)CC)c(C#N)c2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(=O)CCCl)N(CC)CC)c(C#N)c2,"InChI=1/C20H21ClN6O3/c1-3-26(4-2)15-5-8-18(19(12-15)23-20(28)9-10-21)25-24-17-7-6-16(27(29)30)11-14(17)13-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,28)",C20H21ClN6O3,,,,,,DZCVQWOJMDITIP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.988,269-308-2,68214-66-4,2-ethoxyethyl [2-[(2-chloro-4-nitrophenyl)azo]-5-(diethylamino)phenyl]carbamate,2-ethoxyethyl {2-[(2-chloro-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}carbamate,Clc2cc(ccc2N=Nc1ccc(cc1NC(=O)OCCOCC)N(CC)CC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(=O)OCCOCC)N(CC)CC)[N+]([O-])=O,"InChI=1/C21H26ClN5O5/c1-4-26(5-2)15-7-10-19(20(14-15)23-21(28)32-12-11-31-6-3)25-24-18-9-8-16(27(29)30)13-17(18)22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,28)",C21H26ClN5O5,,,,,,BASKGNLLUQTLND-UHFFFAOYSA-N,,,,,,,,,,,
100.062.989,269-309-8,68214-68-6,"29-(2,4-dipentylphenoxy)-3,6,9,12,15,18,21,24,27-nonaoxanonacosanol","29-(2,4-dipentylphenoxy)-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol",CCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)c(CCCCC)c1,CCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)c(CCCCC)c1,"InChI=1/C36H66O11/c1-3-5-7-9-34-11-12-36(35(33-34)10-8-6-4-2)47-32-31-46-30-29-45-28-27-44-26-25-43-24-23-42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37/h11-12,33,37H,3-10,13-32H2,1-2H3",C36H66O11,,,,,,IUGUYAKPEVLCSE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.996,269-317-1,68214-77-7,"Oleic acid, compound with 3-methoxypropylamine (1:1)",octadec-9-enoic acid - 3-methoxypropan-1-amine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.COCCCN,CCCCCCCC\C=C/CCCCCCCC(=O)O.COCCCN,"InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-4-2-3-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3",C18H34O2.C4H11NO,,,,,,AQTCOVFJPUEXIG-KVVVOXFISA-N,,,,,,,,,,,
100.066.465,273-133-7,68938-61-4,2-ethylhexyl (5-isocyanato-2-methylphenyl)-carbamate,2-ethylhexyl (5-isocyanato-2-methylphenyl)carbamate,O=C(Nc1cc(ccc1C)\\N=C=O)OCC(CC)CCCC,O=C(Nc1cc(ccc1C)\N=C=O)OCC(CC)CCCC,"InChI=1/C17H24N2O3/c1-4-6-7-14(5-2)11-22-17(21)19-16-10-15(18-12-20)9-8-13(16)3/h8-10,14H,4-7,11H2,1-3H3,(H,19,21)",C17H24N2O3,,,,,,MWWURILGWWGBNV-UHFFFAOYSA-N,,,,,,,,,,,
100.066.468,273-136-3,68938-64-7,"2,2'-[[3-chloro-4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bisethyl diacetate","({3-chloro-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",Clc2cc(cc(Cl)c2N=Nc1ccc(cc1Cl)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,Clc2cc(cc(Cl)c2N=Nc1ccc(cc1Cl)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O,"InChI=1/C20H19Cl3N4O6/c1-12(28)32-7-5-26(6-8-33-13(2)29)14-3-4-19(16(21)9-14)24-25-20-17(22)10-15(27(30)31)11-18(20)23/h3-4,9-11H,5-8H2,1-2H3",C20H19Cl3N4O6,,,,,,MWYXQLHONLIBGE-UHFFFAOYSA-N,,,,,,,,,,,
100.066.470,273-138-4,68938-67-0,Bis[4-[(3-sulphophenyl)azo]naphthalene-1-diazonium] sulphate,bis{4-[(3-sulfophenyl)diazenyl]naphthalene-1-diazonium} sulfate,[O-]S([O-])(=O)=O.OS(=O)(=O)c3cccc(N=Nc2ccc([N+]#N)c1ccccc12)c3.OS(=O)(=O)c3cccc(N=Nc1ccc([N+]#N)c2ccccc12)c3,[O-]S([O-])(=O)=O.OS(=O)(=O)c3cccc(N=Nc2ccc([N+]#N)c1ccccc12)c3.OS(=O)(=O)c3cccc(N=Nc1ccc([N+]#N)c2ccccc12)c3,"InChI=1/2C16H10N4O3S.H2O4S/c2*17-18-15-8-9-16(14-7-2-1-6-13(14)15)20-19-11-4-3-5-12(10-11)24(21,22)23;1-5(2,3)4/h2*1-10H;(H2,1,2,3,4)",C16H11N4O3S.1/2O4S,,,,,,ILZDMJTXWHOGOU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.609,299-717-1,93894-21-4,2-ethyl-1-methylhex-1-enyl acetate,2-ethyl-1-methylhex-1-en-1-yl acetate,CCCCC(CC)=C(C)OC(C)=O,CCCCC(CC)=C(C)OC(C)=O,"InChI=1/C11H20O2/c1-5-7-8-11(6-2)9(3)13-10(4)12/h5-8H2,1-4H3",C11H20O2,,,,,,RTJHPUJQCPDVGT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.617,299-726-0,93894-29-2,"2,6-dimethyl-8,8-bis(2-phenylethoxy)octan-2-ol","2,6-dimethyl-8,8-bis(2-phenylethoxy)octan-2-ol",CC(CCCC(C)(C)O)CC(OCCc1ccccc1)OCCc2ccccc2,CC(CCCC(C)(C)O)CC(OCCc1ccccc1)OCCc2ccccc2,"InChI=1/C26H38O3/c1-22(11-10-18-26(2,3)27)21-25(28-19-16-23-12-6-4-7-13-23)29-20-17-24-14-8-5-9-15-24/h4-9,12-15,22,25,27H,10-11,16-21H2,1-3H3",C26H38O3,,,,,,BZYVVVVWNQNWHX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.618,299-727-6,93894-30-5,Methyl 2-[[[4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]methylene]amino]benzoate,methyl 2-({[4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methylene}amino)benzoate,COC(=O)c2ccccc2N=CC1C\\C=C(/CC1)CC\\C=C(/C)C,COC(=O)c2ccccc2N=CC1C\C=C(/CC1)CC\C=C(/C)C,"InChI=1/C21H27NO2/c1-16(2)7-6-8-17-11-13-18(14-12-17)15-22-20-10-5-4-9-19(20)21(23)24-3/h4-5,7,9-11,15,18H,6,8,12-14H2,1-3H3",C21H27NO2,,,,,,CORQKFQGCLVVJA-UHFFFAOYSA-N,,,,,,,,,,,
100.090.396,299-483-0,93892-03-6,"(1a,2ß,5a)-2-methyl-5-(1-methylvinyl)cyclohexyl butyrate",5-isopropenyl-2-methylcyclohexyl butyrate,CCCC(=O)O[C@H]1C[C@H](CC[C@@H]1C)C(=C)C,CCCC(=O)O[C@H]1C[C@H](CC[C@@H]1C)C(=C)C,"InChI=1/C14H24O2/c1-5-6-14(15)16-13-9-12(10(2)3)8-7-11(13)4/h11-13H,2,5-9H2,1,3-4H3",C14H24O2,,,,,,AQCLKGPUNWCCQN-AVGNSLFASA-N,,,,,,,,,,,
100.090.397,299-484-6,93892-04-7,"(1a,2ß,5a)-2-methyl-5-(1-methylvinyl)cyclohexyl formate",5-isopropenyl-2-methylcyclohexyl formate,C[C@H]1CC[C@@H](C[C@@H]1OC=O)C(=C)C,C[C@H]1CC[C@@H](C[C@@H]1OC=O)C(=C)C,"InChI=1/C11H18O2/c1-8(2)10-5-4-9(3)11(6-10)13-7-12/h7,9-11H,1,4-6H2,2-3H3",C11H18O2,,,,,,ZCRWAIVGYMUKPX-DCAQKATOSA-N,,,,,,,,,,,
100.090.402,299-489-3,93892-09-2,"1,1-bis(3-methylbutoxy)hexane","1,1-bis(3-methylbutoxy)hexane",CCCCCC(OCCC(C)C)OCCC(C)C,CCCCCC(OCCC(C)C)OCCC(C)C,"InChI=1/C16H34O2/c1-6-7-8-9-16(17-12-10-14(2)3)18-13-11-15(4)5/h14-16H,6-13H2,1-5H3",C16H34O2,,,,,,FKZZUTUSBAOONH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.404,299-491-4,93892-11-6,"Naphthalene-1-sulphonic acid, compound with 2,2'-iminodiethanol (1:1)","naphthalene-1-sulfonic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OS(=O)(=O)c1cccc2ccccc12,OCCNCCO.OS(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.C4H11NO2/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;6-3-1-5-2-4-7/h1-7H,(H,11,12,13);5-7H,1-4H2",C10H8O3S.C4H11NO2,,,,,,NMMKJVBEODGHOK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.405,299-493-5,93892-12-7,"Naphthalene-1-sulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","naphthalene-1-sulfonic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OS(=O)(=O)c1cccc2ccccc12,OCCN(CCO)CCO.OS(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.C6H15NO3/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;8-4-1-7(2-5-9)3-6-10/h1-7H,(H,11,12,13);8-10H,1-6H2",C10H8O3S.C6H15NO3,,,,,,GSMXMZFSQCOHGU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.413,299-501-7,93892-20-7,"Sodium 2-[(4,5-diamino-1-naphthyl)azo]-5-nitrobenzenesulphonate","sodium 2-[(4,5-diamino-1-naphthyl)diazenyl]-5-nitrobenzenesulfonate",[Na+].[O-][N+](=O)c3ccc(N=Nc2ccc(N)c1c2cccc1N)c(c3)S([O-])(=O)=O,[Na+].[O-][N+](=O)c3ccc(N=Nc2ccc(N)c1c2cccc1N)c(c3)S([O-])(=O)=O,"InChI=1/C16H13N5O5S.Na/c17-11-3-1-2-10-13(7-5-12(18)16(10)11)19-20-14-6-4-9(21(22)23)8-15(14)27(24,25)26;/h1-8H,17-18H2,(H,24,25,26);/q;+1/p-1",C16H13N5O5S.Na,,,,,,PGMZOISWTRDFEF-UHFFFAOYSA-M,,,,,,,,,,,
100.090.620,299-729-7,93894-32-7,"1,1'-(3,7-dimethylocta-2,6-dienylidene)bis(1H-indole)","1,1'-(3,7-dimethylocta-2,6-diene-1,1-diyl)bis(1H-indole)",C/C(C)=C\\CCC(C)=CC(n2ccc1ccccc12)n4ccc3ccccc34,C/C(C)=C\CCC(C)=CC(n2ccc1ccccc12)n4ccc3ccccc34,"InChI=1/C26H28N2/c1-20(2)9-8-10-21(3)19-26(27-17-15-22-11-4-6-13-24(22)27)28-18-16-23-12-5-7-14-25(23)28/h4-7,9,11-19,26H,8,10H2,1-3H3",C26H28N2,,,,,,XSHXVCYGTIAJFF-UHFFFAOYSA-N,,,,,,,,,,,
100.087.311,296-085-9,92207-22-2,Benzyl(hexahydro-2-oxo-1H-azepin-3-yl)dimethylammonium chloride,"N-benzyl-N,N-dimethyl-2-oxoazepan-3-aminium chloride",[Cl-].C[N+](C)(Cc1ccccc1)C2CCCCNC2=O,[Cl-].C[N+](C)(Cc1ccccc1)C2CCCCNC2=O,"InChI=1/C15H22N2O.ClH/c1-17(2,12-13-8-4-3-5-9-13)14-10-6-7-11-16-15(14)18;/h3-5,8-9,14H,6-7,10-12H2,1-2H3;1H",C15H23N2O.Cl,,,,,,FRGHJMDARINEHW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.417,299-505-9,93892-24-1,3-methyl-5-[[4-[(4-sulphophenyl)azo]phenyl]azo]salicylic acid,2-hydroxy-3-methyl-5-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)benzoic acid,Cc3cc(N=Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2)cc(C(O)=O)c3O,Cc3cc(N=Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2)cc(C(O)=O)c3O,"InChI=1/C20H16N4O6S/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30/h2-11,25H,1H3,(H,26,27)(H,28,29,30)",C20H16N4O6S,,,,,,MZTTYRHRQVDPIL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.418,299-506-4,93892-25-2,2-[4-[[4-[[(p-tolyl)sulphonyl]oxy]-m-tolyl]azo]anilino]-5-nitrobenzenesulphonic acid,2-({4-[(3-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonic acid,O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S(O)(=O)=O)[N+]([O-])=O)cc3)c4ccc(C)cc4,O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S(O)(=O)=O)[N+]([O-])=O)cc3)c4ccc(C)cc4,"InChI=1/C26H22N4O8S2/c1-17-3-11-23(12-4-17)40(36,37)38-25-14-9-21(15-18(25)2)29-28-20-7-5-19(6-8-20)27-24-13-10-22(30(31)32)16-26(24)39(33,34)35/h3-16,27H,1-2H3,(H,33,34,35)",C26H22N4O8S2,,,,,,QOSNGQJTAXLIEU-UHFFFAOYSA-N,,,,,,,,,,,
100.064.653,271-139-4,68516-23-4,3-(furfurylthio)-3-hydroxybutan-2-one,3-[(2-furylmethyl)sulfanyl]-3-hydroxybutan-2-one,CC(=O)C(C)(O)SCc1occc1,CC(=O)C(C)(O)SCc1occc1,"InChI=1/C9H12O3S/c1-7(10)9(2,11)13-6-8-4-3-5-12-8/h3-5,11H,6H2,1-2H3",C9H12O3S,,,,,,DRIFNOMSLSRDHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.655,271-142-0,68516-28-9,"Oleic acid, compound with 2-ethylhexylamine (1:1)",octadec-9-enoic acid - 2-ethylhexan-1-amine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCCCC(CC)CN,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCC(CC)CN,"InChI=1/C18H34O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-6-8(4-2)7-9/h9-10H,2-8,11-17H2,1H3,(H,19,20);8H,3-7,9H2,1-2H3",C18H34O2.C8H19N,,,,,,ODELEHQHGADZBE-KVVVOXFISA-N,,,,,,,,,,,
100.064.657,271-144-1,68516-30-3,"(E,Z)-trimethyl(9,11-tetradecadienyloxy)silane","trimethyl(tetradeca-9,11-dien-1-yloxy)silane",C[Si](C)(C)OCCCCCCCCC=CC=CCC,C[Si](C)(C)OCCCCCCCCC=CC=CCC,"InChI=1/C17H34OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)4/h6-9H,5,10-17H2,1-4H3",C17H34OSi,,,,,,PXNGSVGFGMWPNX-UHFFFAOYSA-N,,,,,,,,,,,
100.064.661,271-148-3,68516-34-7,Bromo[10-[(trimethylsilyl)oxy]decyl]magnesium,bromo{10-[(trimethylsilyl)oxy]decyl}magnesium,C[Si](C)(C)OCCCCCCCCCC[Mg]Br,C[Si](C)(C)OCCCCCCCCCC[Mg]Br,"InChI=1/C13H29OSi.BrH.Mg/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;;/h1,5-13H2,2-4H3;1H;/q;;+1/p-1/rC13H29BrMgOSi/c1-17(2,3)16-13-11-9-7-5-4-6-8-10-12-15-14/h4-13H2,1-3H3",C13H29BrMgOSi,,,,,,VOJIOZAGUFRIHN-UHFFFAOYSA-M,,,,,,,,,,,
100.064.667,271-155-1,68516-48-3,3-oxo-N-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]butyramide,2-{[4-(acetoacetylamino)phenyl]sulfonyl}ethyl hydrogen sulfate,CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O,CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C12H15NO8S2/c1-9(14)8-12(15)13-10-2-4-11(5-3-10)22(16,17)7-6-21-23(18,19)20/h2-5H,6-8H2,1H3,(H,13,15)(H,18,19,20)",C12H15NO8S2,,,,,,MEFNHSZVQXGNFR-UHFFFAOYSA-N,,,,,,,,,,,
100.064.668,271-156-7,68516-49-4,"2,7-dibromopyrene-1,3,6,8(2H,7H)-tetrone","2,7-dibromopyrene-1,3,6,8(2H,7H)-tetrone",BrC1C(=O)c2ccc3C(=O)C(Br)C(=O)c4ccc(C1=O)c2c34,BrC1C(=O)c2ccc3C(=O)C(Br)C(=O)c4ccc(C1=O)c2c34,"InChI=1/C16H6Br2O4/c17-11-13(19)5-1-2-6-10-8(16(22)12(18)14(6)20)4-3-7(9(5)10)15(11)21/h1-4,11-12H",C16H6Br2O4,,,,,,IRGKJPHTQIWQTD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.674,271-163-5,68516-57-4,3-hydroxy-7-nitronaphthalenesulphonic acid,3-hydroxy-7-nitronaphthalene-1-sulfonic acid,Oc1cc(c2cc(ccc2c1)[N+](=O)[O-])S(=O)(=O)O,Oc1cc(c2cc(ccc2c1)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C10H7NO6S/c12-8-3-6-1-2-7(11(13)14)4-9(6)10(5-8)18(15,16)17/h1-5,12H,(H,15,16,17)",C10H7NO6S,,,,,,ZLQRTXWMPHELNM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.677,271-166-1,68516-61-0,"4-[[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulphonyl)-2H-indol-2-ylidene]ethylidene]-4,5-dihydro-2-methyl-5-oxo-3-phenylisoxazolium iodide","4-{2-[1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}-2-methyl-5-oxo-3-phenyl-4,5-dihydroisoxazol-2-ium iodide",[I-].O=C4O[N+](\\C)=C(/C4=CC=C2N(CC)c1ccc(cc1C2(C)C)S(=O)(=O)c3ccccc3)c5ccccc5,[I-].O=C4O[N+](\C)=C(/C4=CC=C2N(CC)c1ccc(cc1C2(C)C)S(=O)(=O)c3ccccc3)c5ccccc5,"InChI=1/C30H29N2O4S.HI/c1-5-32-26-18-16-23(37(34,35)22-14-10-7-11-15-22)20-25(26)30(2,3)27(32)19-17-24-28(31(4)36-29(24)33)21-12-8-6-9-13-21;/h6-20H,5H2,1-4H3;1H/q+1;/p-1",C30H29N2O4S.I,,,,,,RBOAQJHVDJPEHQ-UHFFFAOYSA-M,,,,,,,,,,,
100.064.683,271-172-4,68516-70-1,N-[5-(anilinosulphonyl)-2-chlorophenyl]-3-[o-(octadecyloxy)phenyl]-3-oxopropionamide,N-[2-chloro-5-(phenylsulfamoyl)phenyl]-3-[2-(octadecyloxy)phenyl]-3-oxopropanamide,CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)Nc3ccccc3,CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)Nc3ccccc3,"InChI=1/C39H53ClN2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-47-38-26-21-20-25-34(38)37(43)31-39(44)41-36-30-33(27-28-35(36)40)48(45,46)42-32-23-18-17-19-24-32/h17-21,23-28,30,42H,2-16,22,29,31H2,1H3,(H,41,44)",C39H53ClN2O5S,,,,,,DFKPOYWYIKFZJL-UHFFFAOYSA-N,,,,,,,,,,,
100.064.686,271-176-6,68516-73-4,"Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate","tetramethyl 2,2'-{1,4-phenylenebis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}diterephthalate",COC(=O)c3cc(N=NC(=O)C(Nc1ccc(cc1)NC(C(=O)N=Nc2cc(ccc2C(=O)OC)C(=O)OC)C(C)=O)C(C)=O)c(cc3)C(=O)OC,COC(=O)c3cc(N=NC(=O)C(Nc1ccc(cc1)NC(C(=O)N=Nc2cc(ccc2C(=O)OC)C(=O)OC)C(C)=O)C(C)=O)c(cc3)C(=O)OC,"InChI=1/C34H32N6O12/c1-17(41)27(29(43)39-37-25-15-19(31(45)49-3)7-13-23(25)33(47)51-5)35-21-9-11-22(12-10-21)36-28(18(2)42)30(44)40-38-26-16-20(32(46)50-4)8-14-24(26)34(48)52-6/h7-16,27-28,35-36H,1-6H3",C34H32N6O12,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14162,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.686,JESXXRGFFLPJKL-UHFFFAOYSA-N,,,,,,,,,,,
100.064.688,271-178-7,68516-75-6,"N,N'-naphthalene-1,5-diylbis[4-[(2,3-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]","N,N'-naphthalene-1,5-diylbis{4-[(2,3-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthamide}",Clc8c(N=Nc6c7ccccc7cc(C(=O)Nc5cccc4c5cccc4NC(=O)c3cc1ccccc1c(N=Nc2cccc(Cl)c2Cl)c3O)c6O)cccc8Cl,Clc8c(N=Nc6c7ccccc7cc(C(=O)Nc5cccc4c5cccc4NC(=O)c3cc1ccccc1c(N=Nc2cccc(Cl)c2Cl)c3O)c6O)cccc8Cl,"InChI=1/C44H26Cl4N6O4/c45-31-15-7-19-35(37(31)47)51-53-39-25-11-3-1-9-23(25)21-29(41(39)55)43(57)49-33-17-5-14-28-27(33)13-6-18-34(28)50-44(58)30-22-24-10-2-4-12-26(24)40(42(30)56)54-52-36-20-8-16-32(46)38(36)48/h1-22,55-56H,(H,49,57)(H,50,58)",C44H26Cl4N6O4,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10323,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.688,JFWLZGFQYNTGAI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.268,276-218-7,71964-99-3,Tetrafluoroaniline,"2,3,4,5-tetrafluoroaniline",Nc1cc(F)c(F)c(F)c1F,Nc1cc(F)c(F)c(F)c1F,"InChI=1/C6H3F4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2",C6H3F4N,,,,,,BEECAQIHCYTZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.274,276-225-5,71965-05-4,"2'-methyl[1,1'-biphenyl]-3-ol",2'-methylbiphenyl-3-ol,Cc1ccccc1c2cccc(O)c2,Cc1ccccc1c2cccc(O)c2,"InChI=1/C13H12O/c1-10-5-2-3-8-13(10)11-6-4-7-12(14)9-11/h2-9,14H,1H3",C13H12O,,,,,,MCSAAIIHOSTYBC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.282,276-233-9,71965-13-4,Dichlorodioctyltitanium,dichloro(dioctyl)titanium,CCCCCCCC[Ti](Cl)(Cl)CCCCCCCC,CCCCCCCC[Ti](Cl)(Cl)CCCCCCCC,"InChI=1/2C8H17.2ClH.Ti/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2/rC16H34Cl2Ti/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",C16H34Cl2Ti,,,,,,WIKWYOBJSJARSY-UHFFFAOYSA-L,,,,,,,,,,,
100.064.909,271-421-7,68555-30-6,Di(non-2-enyl) ether,"1,1'-oxybis(non-2-ene)",CCCCCCC=CCOCC=CCCCCCC,CCCCCCC=CCOCC=CCCCCCC,"InChI=1/C18H34O/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3",C18H34O,,,,,,BRQPOXYJCYNNRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.913,271-425-9,68555-34-0,Bis[(6-methylcyclohex-3-enyl)methyl] adipate,bis[(6-methylcyclohex-3-en-1-yl)methyl] adipate,CC1CC=CCC1COC(=O)CCCCC(=O)OCC2CC=CCC2C,CC1CC=CCC1COC(=O)CCCCC(=O)OCC2CC=CCC2C,"InChI=1/C22H34O4/c1-17-9-3-5-11-19(17)15-25-21(23)13-7-8-14-22(24)26-16-20-12-6-4-10-18(20)2/h3-6,17-20H,7-16H2,1-2H3",C22H34O4,,,,,,FVBFUZKTISMNMG-UHFFFAOYSA-N,,,,,,,,,,,
100.064.925,271-439-5,68555-62-4,"2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenal","2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enal",C\\C1=C\\CCC(C)(C)C1CC=C(C)C=O,C\C1=C\CCC(C)(C)C1CC=C(C)C=O,"InChI=1/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h6-7,10,13H,5,8-9H2,1-4H3",C14H22O,,,,,,JJHZLPJQTHPGEI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.426,268-689-2,68133-57-3,N-aminoethylethylenediamine 4-methylbenzenesulphonate,2-(1-ethylhydrazino)ethanamine 4-methylbenzenesulfonate,CCN(N)CCN.Cc1ccc(cc1)S(=O)(=O)O,CCN(N)CCN.Cc1ccc(cc1)S(=O)(=O)O,"InChI=1/C7H8O3S.C4H13N3/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-7(6)4-3-5/h2-5H,1H3,(H,8,9,10);2-6H2,1H3",C7H8O3S.xC4H13N3,,,,,,MAKHDWOQXDCPJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.429,268-692-9,68133-60-8,1-benzyl-3-carboxylatopyridinium sodium chloride,sodium chloride - 1-benzylpyridinium-3-carboxylate (1:1),[Na+].[Cl-].[O-]C(=O)c1ccc[n+](Cc2ccccc2)c1,[Na+].[Cl-].[O-]C(=O)c1ccc[n+](Cc2ccccc2)c1,"InChI=1/C13H11NO2.ClH.Na/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;;/h1-8,10H,9H2;1H;/q;;+1/p-1",C13H12NO2.Cl.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5318,https://echa.europa.eu/substance-information/-/substanceinfo/100.062.429,ONCDUCAWXQKSDE-UHFFFAOYSA-M,,,,,,,,,,,
100.062.436,268-700-0,68133-73-3,"3-methylbutyl (E)-3,7-dimethylocta-2,6-dienoate","3-methylbutyl 3,7-dimethylocta-2,6-dienoate",CC(C)CCOC(=O)\\C=C(/C)\\CCC=C(C)C,CC(C)CCOC(=O)\C=C(/C)\CCC=C(C)C,"InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)11-15(16)17-10-9-13(3)4/h7,11,13H,6,8-10H2,1-5H3",C15H26O2,,,,,,UYYJNVGFCCTXSK-SDNWHVSQSA-N,,,,,,,,,,,
100.062.442,268-706-3,68133-79-9,"2-(3,7-dimethylocta-2,6-dienyl)cyclopentan-1-one","2-(3,7-dimethylocta-2,6-dien-1-yl)cyclopentanone",O=C1CCCC1CC=C(C)CC\\C=C(/C)C,O=C1CCCC1CC=C(C)CC\C=C(/C)C,"InChI=1/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3",C15H24O,,,,,,ZNSALEJHPSBXDK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.454,268-719-4,68133-97-1,Hydrogen 3-(2-carboxylatoethyl)-2-[3-[3-(2-carboxylatoethyl)-3H-benzoxazol-2-ylidene]prop-1-enyl]benzoxazolium,"hydrogen 3-[2-{3-[3-(2-carboxylatoethyl)-1,3-benzoxazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzoxazol-3(2H)-yl]propanoate",[H+].[O-]C(=O)CC[n+]3c4ccccc4oc3C=CC=C2Oc1ccccc1N2CCC([O-])=O,[H+].[O-]C(=O)CC[n+]3c4ccccc4oc3C=CC=C2Oc1ccccc1N2CCC([O-])=O,"InChI=1/C23H20N2O6.H2/c26-22(27)12-14-24-16-6-1-3-8-18(16)30-20(24)10-5-11-21-25(15-13-23(28)29)17-7-2-4-9-19(17)31-21;/h1-11H,12-15H2,(H-,26,27,28,29);1H/q;+1/p-1",C23H20N2O6,,,,,,PYZUAOHBBJNJQX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.298,276-251-7,71989-14-5,4-tert-butyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate,4-tert-butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid (non-preferred name),CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)",C23H25NO6,,,,,,FODJWPHPWBKDON-IBGZPJMESA-N,,,,,,,,,,,
100.069.301,276-254-3,71989-20-3,N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine,N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine,NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C20H20N2O5/c21-18(23)10-9-17(19(24)25)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H2,21,23)(H,22,26)(H,24,25)",C20H20N2O5,,,,,,IZKGGDFLLNVXNZ-KRWDZBQOSA-N,,,,,,,,,,,
100.066.473,273-142-6,68938-73-8,"3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropionic acid dihydrochloride","3,3',3'',3'''-(3,8,13,17-tetramethylporphine-2,7,12,18-tetrayl)tetrapropanoic acid dihydrochloride",Cl.Cl.CC1=C(CCC(=O)O)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O,Cl.Cl.CC1=C(CCC(=O)O)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O,"InChI=1/C36H36N4O8.2ClH/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;;/h13-16H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1H",C36H38N4O8.2ClH,,,,,,OCKORMQGKCSFGN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.476,273-145-2,68938-79-4,"Potassium sodium 2,6-dichlorosalicylate",-,[Na+].[K+].OC1(Cl)C=CC=C(Cl)C1C(=O)[O-],[Na+].[K+].OC1(Cl)C=CC=C(Cl)C1C(=O)[O-],"InChI=1/C7H6Cl2O3.K.Na/c8-4-2-1-3-7(9,12)5(4)6(10)11;;/h1-3,5,12H,(H,10,11);;/q;2*+1/p-1",C7H4Cl2O3.K.Na,,,,,,MHRMKFPVVOFMBU-UHFFFAOYSA-M,,,,,,,,,,,
100.066.478,273-147-3,68938-81-8,"Potassium 2,5-dichlorophenolate","potassium 2,5-dichlorophenolate",[K+].[O-]c1cc(Cl)ccc1Cl,[K+].[O-]c1cc(Cl)ccc1Cl,"InChI=1/C6H4Cl2O.K/c7-4-1-2-5(8)6(9)3-4;/h1-3,9H;/q;+1/p-1",C6H4Cl2O.K,,,,,,OKTIHTLOYFRBTK-UHFFFAOYSA-M,,,,,,,,,,,
100.066.481,273-151-5,68938-92-1,Platinum tetrabromide,platinum tetrabromide,[Br-].[Br-].[Br-].[Br-].[Pt+2].[Pt+2],[Br-].[Br-].[Br-].[Br-].[Pt+2].[Pt+2],InChI=1/4BrH.2Pt/h4*1H;;/q;;;;2*+2/p-4,Br4Pt,,,,,,FULSUOKMBIOBTA-UHFFFAOYSA-J,,,,,,,,,,,
100.068.001,274-824-6,70729-60-1,Ethyl [2-[ethyl(3-methylphenyl)amino]phenyl]carbamate,ethyl {2-[ethyl(3-methylphenyl)amino]phenyl}carbamate,CCOC(=O)Nc1ccccc1N(CC)c2cccc(C)c2,CCOC(=O)Nc1ccccc1N(CC)c2cccc(C)c2,"InChI=1/C18H22N2O2/c1-4-20(15-10-8-9-14(3)13-15)17-12-7-6-11-16(17)19-18(21)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,21)",C18H22N2O2,,,,,,WYZVJXUEYWUVMU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.817,301-044-6,93980-65-5,(4-aminophenyl)naphthylketone,(4-aminophenyl)(1-naphthyl)methanone,Nc1ccc(cc1)C(=O)c2cccc3ccccc23,Nc1ccc(cc1)C(=O)c2cccc3ccccc23,"InChI=1/C17H13NO/c18-14-10-8-13(9-11-14)17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,18H2",C17H13NO,,,,,,UGSYXNDKIWVIRW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.818,301-045-1,93980-66-6,Octyl (R)-12-hydroxyoleate,octyl 12-hydroxyoctadec-9-enoate,CCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C26H50O3/c1-3-5-7-9-16-20-24-29-26(28)23-19-15-13-11-10-12-14-18-22-25(27)21-17-8-6-4-2/h14,18,25,27H,3-13,15-17,19-24H2,1-2H3",C26H50O3,,,,,,ZMAFZZRHIFKNLZ-MBWFWJJQSA-N,,,,,,,,,,,
100.091.824,301-051-4,93980-72-4,"a,ß,2,6,6-pentamethylcyclohex-2-ene-1-propan-1-ol","3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol",CC(O)C(C)CC1C(=CCCC1(C)C)C,CC(O)C(C)CC1C(=CCCC1(C)C)C,"InChI=1/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11-13,15H,6,8-9H2,1-5H3",C14H26O,,,,,,AXHHYECTTZUORY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.826,301-054-0,93980-74-6,N-[3-((Z)-octadec-9-en-1-ylamino)propyl]-D-gluconamide,"2,3,4,5,6-pentahydroxy-N-[3-(octadec-9-en-1-ylamino)propyl]hexanamide (non-preferred name)",CCCCCCCC\\C=C/CCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C27H54N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-20-18-21-29-27(35)26(34)25(33)24(32)23(31)22-30/h9-10,23-26,28,30-34H,2-8,11-22H2,1H3,(H,29,35)",C27H54N2O6,,,,,,LCRAWTITTNMLAM-JMFVFQDWSA-N,,,,,,,,,,,
100.091.830,301-058-2,93980-78-0,"2,3-bis(2-hydroxy-1-oxopropoxy)propyl palmitate","2,3-bis(lactoyloxy)propyl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C)O)OC(=O)C(C)O,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C)O)OC(=O)C(C)O,"InChI=1/C25H46O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)31-18-22(33-25(30)21(3)27)19-32-24(29)20(2)26/h20-22,26-27H,4-19H2,1-3H3",C25H46O8,,,,,,VBXKJDLCCOSZKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.834,301-062-4,93980-82-6,(E)-2-(2-methylpropylidene)hexanal,2-(2-methylpropylidene)hexanal,CCCC\\C(=C/C(C)C)\\C=O,CCCC\C(=C/C(C)C)\C=O,"InChI=1/C10H18O/c1-4-5-6-10(8-11)7-9(2)3/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,BCKIEFFJHXOMBQ-JXMROGBWSA-N,,,,,,,,,,,
100.091.835,301-064-5,93980-83-7,(E)-2-butyl-4-methylpent-2-en-1-ol,2-(2-methylpropylidene)hexan-1-ol,CCCC\\C(=C/C(C)C)\\CO,CCCC\C(=C/C(C)C)\CO,"InChI=1/C10H20O/c1-4-5-6-10(8-11)7-9(2)3/h7,9,11H,4-6,8H2,1-3H3",C10H20O,,,,,,HZTGOIPYZXGOPN-JXMROGBWSA-N,,,,,,,,,,,
100.091.836,301-065-0,93980-84-8,2-hydroxy-3-[(1-oxooctyl)oxy]propyl decanoate,2-hydroxy-3-(octanoyloxy)propyl decanoate,CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC,CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC,"InChI=1/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-18-19(22)17-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3",C21H40O5,,,,,,AMRVOUCEFGMNBS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.424,299-513-2,93892-31-0,6-tert-butyl-2-cyclopentylphenol,2-tert-butyl-6-cyclopentylphenol,CC(C)(C)c1cccc(C2CCCC2)c1O,CC(C)(C)c1cccc(C2CCCC2)c1O,"InChI=1/C15H22O/c1-15(2,3)13-10-6-9-12(14(13)16)11-7-4-5-8-11/h6,9-11,16H,4-5,7-8H2,1-3H3",C15H22O,,,,,,ABLULJUGVQLKDY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.431,299-521-6,93892-38-7,"1,1,3,3-tetramethyl-6-(1-phenylethyl)indan-5-ol","1,1,3,3-tetramethyl-6-(1-phenylethyl)indan-5-ol",CC(c1ccccc1)c2cc3c(cc2O)C(C)(C)CC3(C)C,CC(c1ccccc1)c2cc3c(cc2O)C(C)(C)CC3(C)C,"InChI=1/C21H26O/c1-14(15-9-7-6-8-10-15)16-11-17-18(12-19(16)22)21(4,5)13-20(17,2)3/h6-12,14,22H,13H2,1-5H3",C21H26O,,,,,,QEHZZXVKRGIJPX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.434,299-524-2,93892-41-2,"6-isopropyl-1,1,3,3-tetramethylindan-5-ol","6-isopropyl-1,1,3,3-tetramethylindan-5-ol",CC(C)c1cc2c(cc1O)C(C)(C)CC2(C)C,CC(C)c1cc2c(cc1O)C(C)(C)CC2(C)C,"InChI=1/C16H24O/c1-10(2)11-7-12-13(8-14(11)17)16(5,6)9-15(12,3)4/h7-8,10,17H,9H2,1-6H3",C16H24O,,,,,,BNMAIYLEWZZFLO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.452,299-544-1,93892-59-2,"2,2-dimethyl-1-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)propyl acetate","2,2-dimethyl-1-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)propyl acetate",CC1C2CC(C=C2)C1C(OC(=O)C)C(C)(C)C,CC1C2CC(C=C2)C1C(OC(=O)C)C(C)(C)C,"InChI=1/C15H24O2/c1-9-11-6-7-12(8-11)13(9)14(15(3,4)5)17-10(2)16/h6-7,9,11-14H,8H2,1-5H3",C15H24O2,,,,,,JFYIRKUBSCIWCU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.455,299-547-8,93892-62-7,"Disodium 4-[2,2-bis(hydroxymethyl)-3-[(1-oxooctadecyl)oxy]propyl] 2-sulphonatosuccinate",disodium 4-{3-hydroxy-2-(hydroxymethyl)-2-[(stearoyloxy)methyl]propoxy}-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C27H50O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h23,28-29H,2-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2",C27H50O11S.2Na,,,,,,RUZCWJHXJYRRDR-UHFFFAOYSA-L,,,,,,,,,,,
100.090.457,299-549-9,93892-64-9,"Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate","2,6-anhydro-1,4-di-O-stearoylhexitol",CCCCCCCCCCCCCCCCCC(=O)OCC1OCC(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C1O,CCCCCCCCCCCCCCCCCC(=O)OCC1OCC(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C1O,"InChI=1/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)48-36-38-41(46)42(37(43)35-47-38)49-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-43,46H,3-36H2,1-2H3",C42H80O7,,,,,,PPXRWADJRFKXFV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.329,302-709-3,94133-49-0,"6,13-dichloro-3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]disulphophenyl]amino]-10-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulphophenyl]amino]triphenodioxazine-4,11-disulphonic acid","6,13-dichloro-3-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,3-disulfophenyl}amino)-10-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}amino)[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",OS(=O)(=O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Nc3ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)c(c8S(=O)(=O)O)S(=O)(=O)O)c7S(=O)(=O)O)N=C6C(=C5Oc4c3S(=O)(=O)O)Cl)Cl,OS(=O)(=O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Nc3ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)c(c8S(=O)(=O)O)S(=O)(=O)O)c7S(=O)(=O)O)N=C6C(=C5Oc4c3S(=O)(=O)O)Cl)Cl,"InChI=1/C36H18Cl6N12O17S5/c37-19-22-26(71-24-13(47-22)4-6-15(28(24)74(61,62)63)45-16-7-8-17(48-36-53-33(41)50-34(42)54-36)30(76(67,68)69)29(16)75(64,65)66)20(38)21-25(19)70-23-12(46-21)3-5-14(27(23)73(58,59)60)44-11-2-1-10(9-18(11)72(55,56)57)43-35-51-31(39)49-32(40)52-35/h1-9,44-45H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,43,49,51,52)(H,48,50,53,54)",C36H18Cl6N12O17S5,,,,,,WNTULFIDBUTFBV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.462,299-555-1,93892-69-4,Potassium 2-methylnaphthalenesulphonate,potassium 2-methylnaphthalene-1-sulfonate,[K+].Cc1ccc2ccccc2c1S(=O)(=O)[O-],[K+].Cc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C11H10O3S.K/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1",C11H10O3S.K,,,,,,JNFMKJSGDMMHTL-UHFFFAOYSA-M,,,,,,,,,,,
100.090.476,299-570-3,93892-83-2,"Pentadecasodium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","pentadecasodium hydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.15Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;/q;15*+1/p-16",C18H52N6O24P8.15Na,,,,,,UXUZJXZZTGXTJC-UHFFFAOYSA-A,,,,,,,,,,,
100.064.690,271-180-8,68516-77-8,"N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)benzamide","N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide",COc1cc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1N,COc1cc(NC(=O)c2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C22H16N2O4/c1-28-16-11-15(24-22(27)12-7-3-2-4-8-12)17-18(19(16)23)21(26)14-10-6-5-9-13(14)20(17)25/h2-11H,23H2,1H3,(H,24,27)",C22H16N2O4,,,,,,XMQCOHKRKJYGHP-UHFFFAOYSA-N,,,,,,,,,,,
100.065.793,272-393-9,68818-38-2,"3-hydroxy-2,2-bis(hydroxymethyl)propyl myristate","3-hydroxy-2,2-bis(hydroxymethyl)propyl myristate",CCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C19H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)24-17-19(14-20,15-21)16-22/h20-22H,2-17H2,1H3",C19H38O5,,,,,,FYGQDCOGQFCJKH-UHFFFAOYSA-N,,,,,,,,,,,
100.065.796,272-397-0,68818-55-3,"2-ethyl-2-(hydroxymethyl)propane-1,3-diyl dimyristate",2-(hydroxymethyl)-2-[(tetradecanoyloxy)methyl]butyl myristate (non-preferred name),CCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCC,"InChI=1/C34H66O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-32(36)38-30-34(6-3,29-35)31-39-33(37)28-26-24-22-20-18-16-14-12-10-8-5-2/h35H,4-31H2,1-3H3",C34H66O5,,,,,,AURQCRBEJUZCLB-UHFFFAOYSA-N,,,,,,,,,,,
100.065.797,272-398-6,68818-56-4,"2-ethyl-2-(hydroxymethyl)propane-1,3-diyl palmitate",2-(hydroxymethyl)-2-[(palmitoyloxy)methyl]butyl palmitate (non-preferred name),CCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C38H74O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36(40)42-34-38(6-3,33-39)35-43-37(41)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h39H,4-35H2,1-3H3",C38H74O5,,,,,,AEFIQWRWYCOYPW-UHFFFAOYSA-N,,,,,,,,,,,
100.065.800,272-401-0,68818-86-0,"9,10-diethoxyanthracene","9,10-diethoxyanthracene",CCOc1c2ccccc2c(OCC)c3ccccc13,CCOc1c2ccccc2c(OCC)c3ccccc13,"InChI=1/C18H18O2/c1-3-19-17-13-9-5-7-11-15(13)18(20-4-2)16-12-8-6-10-14(16)17/h5-12H,3-4H2,1-2H3",C18H18O2,,,,,,GJNKQJAJXSUJBO-UHFFFAOYSA-N,,,,,,,,,,,
100.065.802,272-403-1,68833-59-0,"2,6-bis(chloromethyl)-4-dodecyltoluene","1,3-bis(chloromethyl)-5-dodecyl-2-methylbenzene",CCCCCCCCCCCCc1cc(CCl)c(C)c(CCl)c1,CCCCCCCCCCCCc1cc(CCl)c(C)c(CCl)c1,"InChI=1/C21H34Cl2/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-20(16-22)18(2)21(15-19)17-23/h14-15H,3-13,16-17H2,1-2H3",C21H34Cl2,,,,,,FKRMEMVMXFURIB-UHFFFAOYSA-N,,,,,,,,,,,
100.065.806,272-407-3,68833-64-7,"Ethyl 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate","ethyl 4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate",CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5)cc(C)c(NC1=O)c24,CCOC(=O)C1=C2c3ccccc3C(=O)c4c(Nc5ccc(C)cc5)cc(C)c(NC1=O)c24,"InChI=1/C27H22N2O4/c1-4-33-27(32)23-20-17-7-5-6-8-18(17)25(30)21-19(28-16-11-9-14(2)10-12-16)13-15(3)24(22(20)21)29-26(23)31/h5-13,28H,4H2,1-3H3,(H,29,31)",C27H22N2O4,,,,,,YNTVBEBKDUKDRV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.821,272-424-6,68833-97-6,2-[(dimethylamino)methyl]-6-ethoxy-4-nitrophenol,2-[(dimethylamino)methyl]-6-ethoxy-4-nitrophenol,CCOc1cc(cc(CN(C)C)c1O)[N+](=O)[O-],CCOc1cc(cc(CN(C)C)c1O)[N+](=O)[O-],"InChI=1/C11H16N2O4/c1-4-17-10-6-9(13(15)16)5-8(11(10)14)7-12(2)3/h5-6,14H,4,7H2,1-3H3",C11H16N2O4,,,,,,UIOLKWYSNAUAQC-UHFFFAOYSA-N,,,,,,,,,,,
100.065.824,272-427-2,68834-01-5,"4'-[[4'-[[[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]carbonyl][1,1'-biphenyl]-4-yl]azo]-N-(9,10-dihydro-9,10-dioxo-1-anthryl)[1,1'-biphenyl]-4-carboxamide","4'-[(4'-{[5-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]carbamoyl}biphenyl-4-yl)diazenyl]-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)biphenyl-4-carboxamide",O=C(Nc1cccc%10c1C(=O)c9cccc(NC(=O)c2ccc(cc2)c3ccc(cc3)N=Nc4ccc(cc4)c5ccc(cc5)C(=O)Nc8cccc7C(=O)c6ccccc6C(=O)c78)c9C%10=O)c%11ccccc%11,O=C(Nc1cccc%10c1C(=O)c9cccc(NC(=O)c2ccc(cc2)c3ccc(cc3)N=Nc4ccc(cc4)c5ccc(cc5)C(=O)Nc8cccc7C(=O)c6ccccc6C(=O)c78)c9C%10=O)c%11ccccc%11,"InChI=1/C61H37N5O7/c67-55-44-11-4-5-12-45(44)56(68)52-46(55)13-6-16-49(52)63-60(72)40-23-19-35(20-24-40)37-27-31-42(32-28-37)65-66-43-33-29-38(30-34-43)36-21-25-41(26-22-36)61(73)64-51-18-8-15-48-54(51)58(70)47-14-7-17-50(53(47)57(48)69)62-59(71)39-9-2-1-3-10-39/h1-34H,(H,62,71)(H,63,72)(H,64,73)",C61H37N5O7,,,,,,NNTKWSQGSXAZPC-UHFFFAOYSA-N,,,,,,,,,,,
100.067.577,274-358-3,70165-72-9,Tricyclohexyl(dithiocarboxylato)phosphonium,tricyclohexylphosphoranecarbodithioic acid,SC(=S)P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,SC(=S)P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,"InChI=1/C19H35PS2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18,20H,1-15H2,(H,21,22)",C19H33PS2,,,,,,GWEPSLUVJLFJOL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.583,274-365-1,70179-76-9,2-hydroxy-3-[(1-oxoallyl)oxy]propyl 2-[(1-oxoallyl)oxy]ethyl tetrapropenylsuccinate,2-(acryloyloxy)ethyl 3-(acryloyloxy)-2-hydroxypropyl tetraprop-1-en-1-ylsuccinate,O=C(OCC(O)COC(=O)C=C)C(C=CC)(C=CC)C(C=CC)(C=CC)C(=O)OCCOC(=O)C=C,O=C(OCC(O)COC(=O)C=C)C(C=CC)(C=CC)C(C=CC)(C=CC)C(=O)OCCOC(=O)C=C,"InChI=1/C27H36O9/c1-7-13-26(14-8-2,24(31)34-18-17-33-22(29)11-5)27(15-9-3,16-10-4)25(32)36-20-21(28)19-35-23(30)12-6/h7-16,21,28H,5-6,17-20H2,1-4H3",C27H42O9,,,,,,QHVWFYAKXFCZIX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.302,276-255-9,71989-23-6,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine,CCC(C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CCC(C)[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)",C21H23NO4,,,,,,QXVFEIPAZSXRGM-YFKXAPIDSA-N,,,,,,,,,,,
100.069.304,276-258-5,71989-28-1,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-methionine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-methionine,CSCC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CSCC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)",C20H21NO4S,,,,,,BUBGAUHBELNDEW-SFHVURJKSA-N,,,,,,,,,,,
100.069.309,276-263-2,71989-89-4,Fluorosalicylaldehyde,2-formylphenyl hypofluorite,FOc1ccccc1C=O,FOc1ccccc1C=O,InChI=1/C7H5FO2/c8-10-7-4-2-1-3-6(7)5-9/h1-5H,C7H5FO2,,,,,,HTMSCZSSQKIGAW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.317,276-272-1,71989-98-5,"2-(2,4,6-trimethoxyphenyl)benzo[f]quinoline-1-carboxylic acid","2-(2,4,6-trimethoxyphenyl)benzo[f]quinoline-1-carboxylic acid",COc1cc(OC)c(c(OC)c1)c2cnc3ccc4ccccc4c3c2C(=O)O,COc1cc(OC)c(c(OC)c1)c2cnc3ccc4ccccc4c3c2C(=O)O,"InChI=1/C23H19NO5/c1-27-14-10-18(28-2)21(19(11-14)29-3)16-12-24-17-9-8-13-6-4-5-7-15(13)20(17)22(16)23(25)26/h4-12H,1-3H3,(H,25,26)",C23H19NO5,,,,,,MANIUUXMEXENNG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.322,276-277-9,71993-03-8,"3,3'-dithiobis[6-methoxybenzoic] acid","3,3'-disulfanediylbis(6-methoxybenzoic acid)",COc1ccc(SSc2ccc(OC)c(c2)C(=O)O)cc1C(=O)O,COc1ccc(SSc2ccc(OC)c(c2)C(=O)O)cc1C(=O)O,"InChI=1/C16H14O6S2/c1-21-13-5-3-9(7-11(13)15(17)18)23-24-10-4-6-14(22-2)12(8-10)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)",C16H14O6S2,,,,,,VETLTXHFIRMUFL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.327,276-283-1,72010-74-3,Methyl 4-[[3-(diethylamino)phenyl]amino]-4-oxobutyrate,methyl 4-{[3-(diethylamino)phenyl]amino}-4-oxobutanoate,CCN(CC)c1cccc(c1)NC(=O)CCC(=O)OC,CCN(CC)c1cccc(c1)NC(=O)CCC(=O)OC,"InChI=1/C15H22N2O3/c1-4-17(5-2)13-8-6-7-12(11-13)16-14(18)9-10-15(19)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,18)",C15H22N2O3,,,,,,BLIHEFQNDSJVBO-UHFFFAOYSA-N,,,,,,,,,,,
100.064.934,271-448-4,68555-71-5,Sodium N-ethyl-N-[(pentadecafluoroheptyl)sulphonyl]glycinate,sodium {ethyl[(pentadecafluoroheptyl)sulfonyl]amino}acetate,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H8F15NO4S.Na/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;/h2-3H2,1H3,(H,28,29);/q;+1/p-1",C11H8F15NO4S.Na,,,,,,SZZXUXGPSCPVMV-UHFFFAOYSA-M,,,,,,,,,,,
100.064.937,271-452-6,68555-74-8,"1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulphonamide","1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulfonamide",CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H8F11NO3S/c1-20(2-3-21)24(22,23)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h21H,2-3H2,1H3",C8H8F11NO3S,,,,,,BRBCKWCOTRPYGH-UHFFFAOYSA-N,,,,,,,,,,,
100.064.939,271-454-7,68555-76-0,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulphonamide","1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulfonamide",CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H8F15NO3S/c1-26(2-3-27)30(28,29)10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h27H,2-3H2,1H3",C10H8F15NO3S,,,,,,UIZUTEDYGNRNSW-UHFFFAOYSA-N,,,,,,,,,,,
100.064.941,271-456-8,68555-78-2,"N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonamide","N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide",CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H13F11N2O2S/c1-23(2)5-3-4-22-26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h22H,3-5H2,1-2H3",C10H13F11N2O2S,,,,,,VGJZPFMDBNZBTG-UHFFFAOYSA-N,,,,,,,,,,,
100.064.942,271-457-3,68555-79-3,Ethyl N-ethyl-N-[(undecafluoropentyl)sulphonyl]glycinate,ethyl N-ethyl-N-[(undecafluoropentyl)sulfonyl]glycinate,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H12F11NO4S/c1-3-23(5-6(24)27-4-2)28(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h3-5H2,1-2H3",C11H12F11NO4S,,,,,,YEORWLLYWQFDEW-UHFFFAOYSA-N,,,,,,,,,,,
100.064.946,271-462-0,68555-86-2,Sodium 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]benzenesulphonate,sodium 4-({5-methoxy-4-[(4-methoxyphenyl)diazenyl]-2-methylphenyl}diazenyl)benzenesulfonate,[Na+].COc3cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(OC)cc2,[Na+].COc3cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(OC)cc2,"InChI=1/C21H20N4O5S.Na/c1-14-12-20(25-23-15-4-8-17(29-2)9-5-15)21(30-3)13-19(14)24-22-16-6-10-18(11-7-16)31(26,27)28;/h4-13H,1-3H3,(H,26,27,28);/q;+1/p-1",C21H20N4O5S.Na,,,,,,DBSJKTVELUTRJM-UHFFFAOYSA-M,,,,,,,,,,,
100.064.964,271-481-4,68556-22-9,1-(2-furylthio)acetone,1-(2-furylsulfanyl)acetone,CC(=O)CSc1occc1,CC(=O)CSc1occc1,"InChI=1/C7H8O2S/c1-6(8)5-10-7-3-2-4-9-7/h2-4H,5H2,1H3",C7H8O2S,,,,,,VMOQMRASANYFMP-UHFFFAOYSA-N,,,,,,,,,,,
100.091.849,301-079-7,93980-98-4,"2-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl]azo]-benzene-1,4-disulphonic acid","2-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]-5-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzene-1,4-disulfonic acid",O=C3C(/CS(O)(=O)=O)=C(/C)\\C(\\N=Nc2cc(c(Nc1nc(Cl)nc(OC(C)C)n1)cc2S(O)(=O)=O)S(O)(=O)=O)=C(\\O)N3CC,O=C3C(/CS(O)(=O)=O)=C(/C)\C(\N=Nc2cc(c(Nc1nc(Cl)nc(OC(C)C)n1)cc2S(O)(=O)=O)S(O)(=O)=O)=C(\O)N3CC,"InChI=1/C21H24ClN7O12S3/c1-5-29-17(30)11(8-42(32,33)34)10(4)16(18(29)31)28-27-13-7-14(43(35,36)37)12(6-15(13)44(38,39)40)23-20-24-19(22)25-21(26-20)41-9(2)3/h6-7,9,31H,5,8H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,23,24,25,26)",C21H24ClN7O12S3,,,,,,QNRKVKUHKXUIIN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.850,301-080-2,93980-99-5,"Trisodium 2-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl]azo]benzene-1,4-disulphonate","trisodium 2-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]-5-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].O=C3C(/CS([O-])(=O)=O)=C(/C)\\C(\\N=Nc2cc(c(Nc1nc(Cl)nc(OC(C)C)n1)cc2S([O-])(=O)=O)S([O-])(=O)=O)=C(\\O)N3CC,[Na+].[Na+].[Na+].O=C3C(/CS([O-])(=O)=O)=C(/C)\C(\N=Nc2cc(c(Nc1nc(Cl)nc(OC(C)C)n1)cc2S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N3CC,"InChI=1/C21H24ClN7O12S3.3Na/c1-5-29-17(30)11(8-42(32,33)34)10(4)16(18(29)31)28-27-13-7-14(43(35,36)37)12(6-15(13)44(38,39)40)23-20-24-19(22)25-21(26-20)41-9(2)3;;;/h6-7,9,31H,5,8H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,23,24,25,26);;;/q;3*+1/p-3",C21H24ClN7O12S3.3Na,,,,,,PBKKSEYEAOSXJW-UHFFFAOYSA-K,,,,,,,,,,,
100.091.852,301-082-3,93981-01-2,"2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium acetate","2-{[4-(dimethylamino)phenyl]diazenyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium acetate",CN2/C=C\\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.[O-]C(C)=O,CN2/C=C\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.[O-]C(C)=O,"InChI=1/C13H19N5.C2H4O2/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2(3)4/h5-10,13H,1-4H3;1H3,(H,3,4)",C13H18N5.C2H3O2,,,,,,HUHLSRZJJKTPBO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.855,301-086-5,93981-04-5,2-[2-tert-butoxypropoxy]propan-1-ol,2-(2-tert-butoxypropoxy)propan-1-ol,CC(CO)OCC(C)OC(C)(C)C,CC(CO)OCC(C)OC(C)(C)C,"InChI=1/C10H22O3/c1-8(6-11)12-7-9(2)13-10(3,4)5/h8-9,11H,6-7H2,1-5H3",C10H22O3,,,,,,GYIXQTJAIAZSHP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.220,275-065-3,70964-91-9,"<U+03B3>,4-dimethylcyclohexanepropanol",3-(4-methylcyclohexyl)butan-1-ol,CC(CCO)C1CCC(C)CC1,CC(CCO)C1CCC(C)CC1,"InChI=1/C11H22O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h9-12H,3-8H2,1-2H3",C11H22O,,,,,,KSOWZKVMSYHUKI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.221,275-066-9,70964-95-3,"ß,4-dimethylcyclohexanepropionaldehyde",3-(4-methylcyclohexyl)butanal,CC(CC=O)C1CCC(C)CC1,CC(CC=O)C1CCC(C)CC1,"InChI=1/C11H20O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h8-11H,3-7H2,1-2H3",C11H20O,,,,,,YZFPDESEFZSBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.231,275-077-9,70977-46-7,N-(3-acetyl-5-fluoro-2-hydroxyphenyl)-1H-tetrazole-5-carboxamide,N-(3-acetyl-5-fluoro-2-hydroxyphenyl)-1H-tetrazole-5-carboxamide,CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O,CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O,"InChI=1/C10H8FN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)12-10(19)9-13-15-16-14-9/h2-3,18H,1H3,(H,12,19)(H,13,14,15,16)",C10H8FN5O3,,,,,,BKAPZKSRERAYQD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.232,275-078-4,70978-57-3,"2,2,2-trifluoro-1-(2-hydroxy-5-methylphenyl)ethan-1-one","2,2,2-trifluoro-1-(2-hydroxy-5-methylphenyl)ethanone",Cc1ccc(O)c(c1)C(=O)C(F)(F)F,Cc1ccc(O)c(c1)C(=O)C(F)(F)F,"InChI=1/C9H7F3O2/c1-5-2-3-7(13)6(4-5)8(14)9(10,11)12/h2-4,13H,1H3",C9H7F3O2,,,,,,BQXJLIFASBKZNO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.233,275-080-5,70978-62-0,4-(1-oxopropoxy)benzonitrile,4-cyanophenyl propionate,CCC(=O)Oc1ccc(cc1)C#N,CCC(=O)Oc1ccc(cc1)C#N,"InChI=1/C10H9NO2/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3",C10H9NO2,,,,,,FVOSOTJKWPDYBK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.235,275-082-6,70979-95-2,O-(methoxycarbonyl)-N-(1-methyl-2-oxo-2-phenylethylidene)hydroxylamine,"1-phenylpropane-1,2-dione 2-[O-(methoxycarbonyl)oxime]",O=C(C(C)=NOC(=O)OC)c1ccccc1,O=C(C(C)=NOC(=O)OC)c1ccccc1,"InChI=1/C11H11NO4/c1-8(12-16-11(14)15-2)10(13)9-6-4-3-5-7-9/h3-7H,1-2H3",C11H11NO4,,,,,,ZOSXMYXXXWLINL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.148,268-382-3,68083-34-1,"Ammonium a,4-dihydroxy-3-methoxytoluene-a-sulphonate",ammonium hydroxy(4-hydroxy-3-methoxyphenyl)methanesulfonate,[NH4+].COc1cc(ccc1O)C(O)S(=O)(=O)[O-],[NH4+].COc1cc(ccc1O)C(O)S(=O)(=O)[O-],"InChI=1/C8H10O6S.H3N/c1-14-7-4-5(2-3-6(7)9)8(10)15(11,12)13;/h2-4,8-10H,1H3,(H,11,12,13);1H3",C8H10O6S.H3N,,,,,,IGYBFDGRKFLPOS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.149,268-383-9,68083-35-2,"Benzene-1,2,4-tricarboxylic acid, compound with 2-phenyl-1H-imidazole-1-propiononitrile (1:1)","benzene-1,2,4-tricarboxylic acid - 3-(2-phenyl-1H-imidazol-1-yl)propanenitrile (1:1)",OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.N#CCCn2ccnc2c3ccccc3,OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.N#CCCn2ccnc2c3ccccc3,"InChI=1/C12H11N3.C9H6O6/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,5-6,8,10H,4,9H2;1-3H,(H,10,11)(H,12,13)(H,14,15)",C12H11N3.C9H6O6,,,,,,GNLIGJLHRCFSDF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.152,268-387-0,68083-38-5,"m-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid","3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=N)C1)c2cccc(c2)S(=O)(=O)O,CC1=NN(C(=N)C1)c2cccc(c2)S(=O)(=O)O,"InChI=1/C10H11N3O3S/c1-7-5-10(11)13(12-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6,11H,5H2,1H3,(H,14,15,16)",C10H11N3O3S,,,,,,INHXSMASASFALB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.477,299-571-9,93892-84-3,"Hexadecasodium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","hexadecasodium [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.16Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;;/q;16*+1/p-16",C18H52N6O24P8.16Na,,,,,,IYYWYYBOYJZYOP-UHFFFAOYSA-A,,,,,,,,,,,
100.090.488,299-583-4,93892-97-8,"2-[(1,1-dimethylethyl)[(4-dodecylphenyl)methyl]amino]ethyl methacrylate hydrochloride",2-[tert-butyl(4-dodecylbenzyl)amino]ethyl 2-methylacrylate hydrochloride,Cl.CCCCCCCCCCCCc1ccc(CN(CCOC(=O)C(=C)C)C(C)(C)C)cc1,Cl.CCCCCCCCCCCCc1ccc(CN(CCOC(=O)C(=C)C)C(C)(C)C)cc1,"InChI=1/C29H49NO2.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-26-18-20-27(21-19-26)24-30(29(4,5)6)22-23-32-28(31)25(2)3;/h18-21H,2,7-17,22-24H2,1,3-6H3;1H",C29H49NO2.ClH,,,,,,XUVWBUVJZZNSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.335,302-716-1,94133-55-8,3-methylbutyl 2-methylheptanoate,3-methylbutyl 2-methylheptanoate,CCCCCC(C)C(=O)OCCC(C)C,CCCCCC(C)C(=O)OCCC(C)C,"InChI=1/C13H26O2/c1-5-6-7-8-12(4)13(14)15-10-9-11(2)3/h11-12H,5-10H2,1-4H3",C13H26O2,,,,,,LRFCJZFOGFVMEL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.339,302-720-3,94133-59-2,2-phenylhex-2-enal,2-phenylhex-2-enal,O=CC(=CCCC)c1ccccc1,O=CC(=CCCC)c1ccccc1,"InChI=1/C12H14O/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-10H,2-3H2,1H3",C12H14O,,,,,,LYAVRIBWJOVBLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.341,302-722-4,94133-61-6,"Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate","ethyl [2-(bromomethyl)-1,3-dioxolan-2-yl]acetate",CCOC(=O)CC1(CBr)OCCO1,CCOC(=O)CC1(CBr)OCCO1,"InChI=1/C8H13BrO4/c1-2-11-7(10)5-8(6-9)12-3-4-13-8/h2-6H2,1H3",C8H13BrO4,,,,,,WDFFBKCRZJATND-UHFFFAOYSA-N,,,,,,,,,,,
100.093.343,302-725-0,94133-63-8,"Oxalate 1,3-dichloro-a-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)phenanthrene-9-methanolate","oxalate 1,3-dichloro-alpha-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)phenanthrene-9-methanolate",CCCCN(CCCC)CCC([O-])c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F.[O-]C(=O)C(=O)[O-],CCCCN(CCCC)CCC([O-])c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F.[O-]C(=O)C(=O)[O-],"InChI=1/C26H29Cl2F3NO.C2H2O4/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23;3-1(4)2(5)6/h7-8,13-16,25H,3-6,9-12H2,1-2H3;(H,3,4)(H,5,6)/q-1;/p-2",C26H30Cl2F3NO.C2H2O4,,,,,,RJBCZMQASKVSGM-UHFFFAOYSA-L,,,,,,,,,,,
100.093.349,302-731-3,94133-69-4,"1-(dibutylamino)-3-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propane-1,3-diol","1-(dibutylamino)-3-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propane-1,3-diol",CCCCN(CCCC)C(O)CC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,CCCCN(CCCC)C(O)CC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C26H30Cl2F3NO2/c1-3-5-9-32(10-6-4-2)25(34)15-24(33)22-14-21-20(12-17(27)13-23(21)28)19-11-16(26(29,30)31)7-8-18(19)22/h7-8,11-14,24-25,33-34H,3-6,9-10,15H2,1-2H3",C26H30Cl2F3NO2,,,,,,WYFARUIMFVPKFV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.353,302-736-0,94133-73-0,"4-amino-3,5-dichloro-6-fluoro-2-pyridone, monopotassium salt",-,[K+].NC1=C(Cl)C(=O)NC(=C1Cl)F,[K+].NC1=C(Cl)C(=O)NC(=C1Cl)F,"InChI=1/C5H3Cl2FN2O.K/c6-1-3(9)2(7)5(11)10-4(1)8;/h(H3,9,10,11);/q;+1",C5H3Cl2FN2O.K,,,,,,PMAWLRJXIBXJAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.354,302-737-6,94133-74-1,"3-[[3-(3-aminophenyl)-1,3-dioxopropyl]amino]-4-methoxybenzenesulphonic acid",3-{[3-(3-aminophenyl)-3-oxopropanoyl]amino}-4-methoxybenzenesulfonic acid,COc1ccc(cc1NC(=O)CC(=O)c2cccc(N)c2)S(=O)(=O)O,COc1ccc(cc1NC(=O)CC(=O)c2cccc(N)c2)S(=O)(=O)O,"InChI=1/C16H16N2O6S/c1-24-15-6-5-12(25(21,22)23)8-13(15)18-16(20)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9,17H2,1H3,(H,18,20)(H,21,22,23)",C16H16N2O6S,,,,,,HUWZJDFGTKZUCX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.359,302-742-3,94133-79-6,"1,2-bis(isopropyl)naphthalene","1,2-diisopropylnaphthalene",CC(C)c1ccc2ccccc2c1C(C)C,CC(C)c1ccc2ccccc2c1C(C)C,"InChI=1/C16H20/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4/h5-12H,1-4H3",C16H20,,,,,,IAUKWGFWINVWKS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.360,302-743-9,94133-80-9,"1,7-diisopropylnaphthalene","1,7-diisopropylnaphthalene",CC(C)c1ccc2cccc(C(C)C)c2c1,CC(C)c1ccc2cccc(C(C)C)c2c1,"InChI=1/C16H20/c1-11(2)14-9-8-13-6-5-7-15(12(3)4)16(13)10-14/h5-12H,1-4H3",C16H20,,,,,,XNSUVOOWWSAQMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.361,302-744-4,94133-81-0,"2,3-diisopropylnaphthalene","2,3-diisopropylnaphthalene",CC(C)c1cc2ccccc2cc1C(C)C,CC(C)c1cc2ccccc2cc1C(C)C,"InChI=1/C16H20/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4/h5-12H,1-4H3",C16H20,,,,,,VHLCCRACDZFEFS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.372,302-757-5,94133-92-3,1-ethylhexyl 2-methylcrotonate,1-ethylhexyl 2-methylbut-2-enoate,CCCCCC(CC)OC(=O)\\C(=C\\C)\\C,CCCCCC(CC)OC(=O)\C(=C\C)\C,"InChI=1/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3",C13H24O2,,,,,,LMBAQNNBRWRROG-IZZDOVSWSA-N,,,,,,,,,,,
100.067.584,274-366-7,70179-77-0,"Sodium 3-[[4-amino-9,10-dihydro-3-[2-(2-methoxyethoxy)ethoxy]-9,10-dioxo-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate","sodium 3-({4-amino-3-[2-(2-methoxyethoxy)ethoxy]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonate",[Na+].COCCOCCOc1cc(Nc2c(C)cc(C)c(c2C)S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c3c1N,[Na+].COCCOCCOc1cc(Nc2c(C)cc(C)c(c2C)S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c3c1N,"InChI=1/C28H30N2O8S.Na/c1-15-13-16(2)28(39(33,34)35)17(3)25(15)30-20-14-21(38-12-11-37-10-9-36-4)24(29)23-22(20)26(31)18-7-5-6-8-19(18)27(23)32;/h5-8,13-14,30H,9-12,29H2,1-4H3,(H,33,34,35);/q;+1/p-1",C28H30N2O8S.Na,,,,,,JHAWQFNAZVTBHV-UHFFFAOYSA-M,,,,,,,,,,,
100.067.593,274-376-1,70198-18-4,"3,6,9,12-tetraoxanonacosyl dihydrogen phosphate","3,6,9,12-tetraoxanonacos-1-yl dihydrogen phosphate",CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)O,CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)O,"InChI=1/C25H53O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-19-30-20-21-31-22-23-32-24-25-33-34(26,27)28/h2-25H2,1H3,(H2,26,27,28)",C25H53O8P,,,,,,MPESRJWPJGWNME-UHFFFAOYSA-N,,,,,,,,,,,
100.067.599,274-382-4,70208-51-4,"Dipotassium p-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","dipotassium 4-(5-hydroxy-3-methyl-4-{5-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-1H-pyrazol-1-yl)benzenesulfonate",[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=CC=CC=C3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O,[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=CC=CC=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O,"InChI=1/C25H22N4O8S2.2K/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37;;/h3-15,30H,1-2H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C25H22N4O8S2.2K,,,,,,WJJGFIWYCCCZFT-UHFFFAOYSA-L,,,,,,,,,,,
100.067.605,274-389-2,70209-90-4,"Pentasodium 5-[[3-[[[4-[[4-[[8-[(3-aminobenzoyl)amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3-methoxy-7-sulphonato-1-naphthyl]azo]-3-sulphonatophenyl]amino]carbonyl]phenyl]azo]salicylate","pentasodium 5-({3-[(4-{[4-({8-[(3-aminobenzoyl)amino]-1-hydroxy-3,6-disulfonato-2-naphthyl}diazenyl)-3-methoxy-7-sulfonato-1-naphthyl]diazenyl}-3-sulfonatophenyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2cccc(c2)C(=O)Nc8ccc(N=Nc6cc(OC)c(N=Nc5c(cc4cc(cc(NC(=O)c3cccc(N)c3)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(cc67)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2cccc(c2)C(=O)Nc8ccc(N=Nc6cc(OC)c(N=Nc5c(cc4cc(cc(NC(=O)c3cccc(N)c3)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(cc67)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,"InChI=1/C48H35N9O19S4.5Na/c1-76-39-22-36(55-54-35-12-8-27(19-40(35)79(70,71)72)50-46(60)24-5-3-7-28(15-24)52-53-29-9-13-38(58)34(18-29)48(62)63)33-20-30(77(64,65)66)10-11-32(33)43(39)56-57-44-41(80(73,74)75)17-25-16-31(78(67,68)69)21-37(42(25)45(44)59)51-47(61)23-4-2-6-26(49)14-23;;;;;/h2-22,58-59H,49H2,1H3,(H,50,60)(H,51,61)(H,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75);;;;;/q;5*+1/p-5",C48H35N9O19S4.5Na,,,,,,GWUTVSJRONXQFI-UHFFFAOYSA-I,,,,,,,,,,,
100.067.606,274-390-8,70209-93-7,"Tetrasodium 2-[[8-[[4-chloro-6-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]benzoate","tetrasodium 2-({8-[(4-chloro-6-{[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-1-hydroxy-3,6-disulfonato-2-naphthyl}diazenyl)benzoate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c7ccccc7N=Nc1c(O)c6c(cc1S([O-])(=O)=O)cc(cc6Nc2nc(nc(Cl)n2)Nc3ccc(cc3)c4nc5ccc(C)c(c5s4)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c7ccccc7N=Nc1c(O)c6c(cc1S([O-])(=O)=O)cc(cc6Nc2nc(nc(Cl)n2)Nc3ccc(cc3)c4nc5ccc(C)c(c5s4)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C34H23ClN8O12S4.4Na/c1-15-6-11-22-28(29(15)59(53,54)55)56-30(37-22)16-7-9-18(10-8-16)36-33-39-32(35)40-34(41-33)38-23-14-19(57(47,48)49)12-17-13-24(58(50,51)52)26(27(44)25(17)23)43-42-21-5-3-2-4-20(21)31(45)46;;;;/h2-14,44H,1H3,(H,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,36,38,39,40,41);;;;/q;4*+1/p-4",C34H23ClN8O12S4.4Na,,,,,,HMGBQRTWANMSHV-UHFFFAOYSA-J,,,,,,,,,,,
100.069.526,276-502-0,72235-52-0,"2,4-difluorobenzylamine","1-(2,4-difluorophenyl)methanamine",NCc1ccc(F)cc1F,NCc1ccc(F)cc1F,"InChI=1/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2",C7H7F2N,,,,,,QDZZDVQGBKTLHV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.531,276-507-8,72237-86-6,"3-(6-methoxy-1,4-dimethyl-9H-carbazol-2-yl)acrylic acid","3-(6-methoxy-1,4-dimethyl-9H-carbazol-2-yl)acrylic acid",COc1ccc2[nH]c3c(C)c(\\C=C\\C(=O)O)cc(C)c3c2c1,COc1ccc2[nH]c3c(C)c(\C=C\C(=O)O)cc(C)c3c2c1,"InChI=1/C18H17NO3/c1-10-8-12(4-7-16(20)21)11(2)18-17(10)14-9-13(22-3)5-6-15(14)19-18/h4-9,19H,1-3H3,(H,20,21)",C18H17NO3,,,,,,AMXZMQUKJRFNLM-QPJJXVBHSA-N,,,,,,,,,,,
100.069.532,276-508-3,72237-90-2,"3-(6-methoxy-1,4-dimethyl-9H-carbazol-2-yl)acryloyl azide","3-(6-methoxy-1,4-dimethyl-9H-carbazol-2-yl)acryloyl azide",COc1ccc2[nH]c3c(C)c(\\C=C\\C(=O)N=[N+]=[N-])cc(C)c3c2c1,COc1ccc2[nH]c3c(C)c(\C=C\C(=O)N=[N+]=[N-])cc(C)c3c2c1,"InChI=1/C18H16N4O2/c1-10-8-12(4-7-16(23)21-22-19)11(2)18-17(10)14-9-13(24-3)5-6-15(14)20-18/h4-9,20H,1-3H3",C18H16N4O2,,,,,,SPTZTMIQISNNNL-QPJJXVBHSA-N,,,,,,,,,,,
100.069.537,276-514-6,72241-40-8,2-butoxyethyl 4-nitrobenzoate,2-butoxyethyl 4-nitrobenzoate,CCCCOCCOC(=O)c1ccc(cc1)[N+](=O)[O-],CCCCOCCOC(=O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C13H17NO5/c1-2-3-8-18-9-10-19-13(15)11-4-6-12(7-5-11)14(16)17/h4-7H,2-3,8-10H2,1H3",C13H17NO5,,,,,,ZMLRUVLQMMBFMO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.547,276-525-6,72245-37-5,"N-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine","N-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine",CC1(C)CC(CC(C)(C)N1)NCCCCCCN,CC1(C)CC(CC(C)(C)N1)NCCCCCCN,"InChI=1/C15H33N3/c1-14(2)11-13(12-15(3,4)18-14)17-10-8-6-5-7-9-16/h13,17-18H,5-12,16H2,1-4H3",C15H33N3,,,,,,GXFQBBOZTNQHMW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.461,268-727-8,68134-08-7,"4,4'-bis[[6-anilino-4-[(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]",CC(O)CNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCC(C)O)nc(Nc6ccccc6)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,CC(O)CNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCC(C)O)nc(Nc6ccccc6)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,"InChI=1/C38H40N12O8S2/c1-23(51)21-39-33-45-35(41-27-9-5-3-6-10-27)49-37(47-33)43-29-17-15-25(31(19-29)59(53,54)55)13-14-26-16-18-30(20-32(26)60(56,57)58)44-38-48-34(40-22-24(2)52)46-36(50-38)42-28-11-7-4-8-12-28/h3-20,23-24,51-52H,21-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50)",C38H40N12O8S2,,,,,,DKFWHEWGAAGQSK-BUHFOSPRSA-N,,,,,,,,,,,
100.062.464,268-730-4,68134-14-5,"2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate","2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium dihydrogen phosphate",CCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.[O-]P(=O)([O-])[O-],CCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.[O-]P(=O)([O-])[O-],"InChI=1/C22H44N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-5(2,3)4/h25H,2-21H2,1H3;(H3,1,2,3,4)/p-2",C22H44N2O.H3O4P,,,,,,HMRPOFXYUBTFNV-UHFFFAOYSA-L,,,,,,,,,,,
100.062.467,268-734-6,68134-22-5,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-2-[[2-(trifluoromethyl)phenyl]azo]butyramide","3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-{[2-(trifluoromethyl)phenyl]diazenyl}butanamide",FC(F)(F)c3ccccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,FC(F)(F)c3ccccc3N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1,"InChI=1/C18H14F3N5O3/c1-9(27)15(26-25-12-5-3-2-4-11(12)18(19,20)21)16(28)22-10-6-7-13-14(8-10)24-17(29)23-13/h2-8,15H,1H3,(H,22,28)(H2,23,24,29)",C18H14F3N5O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14436,https://echa.europa.eu/substance-information/-/substanceinfo/100.062.467,VBNVBMNKUIJLPP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.469,268-736-7,68134-24-7,1-[2-(tert-butoxy)ethoxy]butane,1-(2-tert-butoxyethoxy)butane,CCCCOCCOC(C)(C)C,CCCCOCCOC(C)(C)C,"InChI=1/C10H22O2/c1-5-6-7-11-8-9-12-10(2,3)4/h5-9H2,1-4H3",C10H22O2,,,,,,RLKKZSSOQABBHI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.471,268-738-8,68134-26-9,"2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl stearate","2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCCCCC,"InChI=1/C40H78N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-36-42(39)37-38-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",C40H78N2O2,,,,,,BEGOFGGVFXBVLG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.481,268-749-8,68134-37-2,"1,3,3-trimethyl-2-[[methyl(4-phenoxyphenyl)hydrazono]methyl]-3H-indolium chloride","1,3,3-trimethyl-2-[methyl(4-phenoxyphenyl)carbonohydrazonoyl]-3H-indolium chloride",[Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(Oc2ccccc2)cc3,[Cl-].C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(Oc2ccccc2)cc3,"InChI=1/C25H26N3O.ClH/c1-25(2)22-12-8-9-13-23(22)27(3)24(25)18-26-28(4)19-14-16-21(17-15-19)29-20-10-6-5-7-11-20;/h5-18H,1-4H3;1H/q+1;/p-1",C25H26N3O.Cl,,,,,,KZMQAMBZFIAEHN-UHFFFAOYSA-M,,,,,,,,,,,
100.062.482,268-750-3,68134-38-3,"1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium chloride","1,3,3-trimethyl-2-[methyl(4-methylphenyl)carbonohydrazonoyl]-3H-indolium chloride",[Cl-].Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[Cl-].Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3.ClH/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;/h6-14H,1-5H3;1H/q+1;/p-1",C20H24N3.Cl,,,,,,XNBDPEPVMIIATO-UHFFFAOYSA-M,,,,,,,,,,,
100.062.484,268-752-4,68134-40-7,Ethyl N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(3-ethoxy-3-oxopropyl)-ß-alaninate,"diethyl 3,3'-({3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}imino)dipropanoate (non-preferred name)",Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC(=O)OCC)CCC(=O)OCC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(C)=O)N(CCC(=O)OCC)CCC(=O)OCC)[N+]([O-])=O,"InChI=1/C24H28ClN5O7/c1-4-36-23(32)10-12-29(13-11-24(33)37-5-2)17-6-9-21(22(15-17)26-16(3)31)28-27-20-8-7-18(30(34)35)14-19(20)25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,31)",C24H28ClN5O7,,,,,,UBJAEZNYIDXOAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.338,276-295-7,72018-04-3,"5,5-dimethyl-2-(2,4,6-trimethylphenoxy)-1,3,2-dioxaphosphorinane","2-(mesityloxy)-5,5-dimethyl-1,3,2-dioxaphosphinane",Cc1cc(C)c(OP2OCC(C)(C)CO2)c(C)c1,Cc1cc(C)c(OP2OCC(C)(C)CO2)c(C)c1,"InChI=1/C14H21O3P/c1-10-6-11(2)13(12(3)7-10)17-18-15-8-14(4,5)9-16-18/h6-7H,8-9H2,1-5H3",C14H21O3P,,,,,,XEYLUTQJFIWOBO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.353,276-311-2,72064-62-1,(methylthio)methyl isovalerate,(methylsulfanyl)methyl 3-methylbutanoate,CSCOC(=O)CC(C)C,CSCOC(=O)CC(C)C,"InChI=1/C7H14O2S/c1-6(2)4-7(8)9-5-10-3/h6H,4-5H2,1-3H3",C7H14O2S,,,,,,NTNIPFBZWQBXPI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.360,276-319-6,72066-83-2,"Formic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:1)","formic acid - 1,3,5-triazine-2,4,6-triamine (1:1)",Nc1nc(N)nc(N)n1.OC=O,Nc1nc(N)nc(N)n1.OC=O,"InChI=1/C3H6N6.CH2O2/c4-1-7-2(5)9-3(6)8-1;2-1-3/h(H6,4,5,6,7,8,9);1H,(H,2,3)",C3H6N6.CH2O2,,,,,,DPQOLGSOIHKEPP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.366,276-325-9,72087-39-9,L-ornithine (3-methyl-2-oxopentanoate),3-methyl-2-oxopentanoic acid - L-ornithine (1:1),CCC(C)C(=O)C(=O)O.NCCC[C@H](N)C(=O)O,CCC(C)C(=O)C(=O)O.NCCC[C@H](N)C(=O)O,"InChI=1/C6H10O3.C5H12N2O2/c1-3-4(2)5(7)6(8)9;6-3-1-2-4(7)5(8)9/h4H,3H2,1-2H3,(H,8,9);4H,1-3,6-7H2,(H,8,9)",C6H10O3.C5H12N2O2,,,,,,CGVXSZLKWKYOMR-VWMHFEHESA-N,,,,,,,,,,,
100.062.153,268-388-6,68083-39-6,"N,N'-methanetetraylbis[3-isocyanato-2,4,6-triisopropylaniline]","N,N'-bis(3-isocyanato-2,4,6-triisopropylphenyl)carbodiimide",CC(C)c1cc(C(C)C)c(N=C=Nc2c(cc(C(C)C)c(N=C=O)c2C(C)C)C(C)C)c(C(C)C)c1N=C=O,CC(C)c1cc(C(C)C)c(N=C=Nc2c(cc(C(C)C)c(N=C=O)c2C(C)C)C(C)C)c(C(C)C)c1N=C=O,"InChI=1/C33H44N4O2/c1-18(2)24-13-26(20(5)6)32(36-16-38)28(22(9)10)30(24)34-15-35-31-25(19(3)4)14-27(21(7)8)33(37-17-39)29(31)23(11)12/h13-14,18-23H,1-12H3",C33H44N4O2,,,,,,ZVVVXWVFRZDTFL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.158,268-393-3,68083-44-3,"Hexahydro-1,3,5-tris(o-tolyl)-1,3,5-triazine trihydrochloride","1,3,5-tris(2-methylphenyl)-1,3,5-triazinane trihydrochloride",Cl.Cl.Cl.Cc1ccccc1N2CN(CN(C2)c3ccccc3C)c4ccccc4C,Cl.Cl.Cl.Cc1ccccc1N2CN(CN(C2)c3ccccc3C)c4ccccc4C,"InChI=1/C24H27N3.3ClH/c1-19-10-4-7-13-22(19)25-16-26(23-14-8-5-11-20(23)2)18-27(17-25)24-15-9-6-12-21(24)3;;;/h4-15H,16-18H2,1-3H3;3*1H",C24H27N3.3ClH,,,,,,KPTACZNHRGHPJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.160,268-395-4,68083-46-5,"2-(2-heptadec-8-enyl-4,5-dihydro-1H-imidazol-1-yl)ethylamine hydroxyacetate","hydroxyacetic acid - 2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanamine (1:1)",NCCN1CC\\N=C1\\CCCCCCCC=CCCCCCCCC.OC(=O)CO,NCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC.OC(=O)CO,"InChI=1/C22H43N3.C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;3-1-2(4)5/h9-10H,2-8,11-21,23H2,1H3;3H,1H2,(H,4,5)",C22H43N3.C2H4O3,,,,,,HWYYGXDZVLQRPT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.004,274-827-2,70729-64-5,"Ammonium trisodium 7-hydroxy-8-[[4-[(m-phosphonatophenyl)azo]-2-sulphonatophenyl]azo]naphthalene-1,3-disulphonate",-,[NH4+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[NH4+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C22H17N4O13PS3.H3N.3Na/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30;;;;/h1-11,27H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);1H3;;;/q;;3*+1/p-4",C22H17N4O13PS3.H3N.3Na,,,,,,LMDCIBKKADONFG-UHFFFAOYSA-J,,,,,,,,,,,
100.068.006,274-829-3,70729-68-9,"Oxybis(ethane-2,1-diyloxyethane-2,1-diyl) bisheptanoate","13-oxo-3,6,9,12-tetraoxanonadec-1-yl heptanoate (non-preferred name)",CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC,CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC,"InChI=1/C22H42O7/c1-3-5-7-9-11-21(23)28-19-17-26-15-13-25-14-16-27-18-20-29-22(24)12-10-8-6-4-2/h3-20H2,1-2H3",C22H42O7,,,,,,SSKNCQWPZQCABD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.024,274-849-2,70755-47-4,Dihexadecyldimethylammonium bromide,"N-hexadecyl-N,N-dimethylhexadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC,[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC,"InChI=1/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1",C34H72N.Br,,,,,,VIXPKJNAOIWFMW-UHFFFAOYSA-M,,,,,,,,,,,
100.068.028,274-853-4,70766-49-3,"Dimethyl (1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl phosphite","dimethyl 1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-ylmethyl phosphite",COP(OC)OCC1CC2CC1C3C4CC(C=C4)C23,COP(OC)OCC1CC2CC1C3C4CC(C=C4)C23,"InChI=1/C15H23O3P/c1-16-19(17-2)18-8-12-6-11-7-13(12)15-10-4-3-9(5-10)14(11)15/h3-4,9-15H,5-8H2,1-2H3",C15H23O3P,,,,,,CXSSLOLTFYXFDC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.861,301-092-8,93981-10-3,[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl]dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,"2-hydroxy-N,N-dimethyl-N-[3-(stearoylamino)propyl]-3-(stearoyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)COC(=O)CCCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C44H88N2O4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-43(48)45-38-35-39-46(3,4)40-42(47)41-50-44(49)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h42,47H,5-41H2,1-4H3;1H",C44H89N2O4.Cl,,,,,,GLKMYDGRQJPSHD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.873,301-106-2,93981-23-8,3-chlorohexahydro-3H-benzofuran-2-one,3-chlorohexahydro-1-benzofuran-2(3H)-one,ClC1C2CCCCC2OC1=O,ClC1C2CCCCC2OC1=O,"InChI=1/C8H11ClO2/c9-7-5-3-1-2-4-6(5)11-8(7)10/h5-7H,1-4H2",C8H11ClO2,,,,,,XEIXLFKCOXBMRG-UHFFFAOYSA-N,,,,,,,,,,,
100.086.648,295-357-4,92022-83-8,N-(o-aminophenyl)-5-chloroanthranilic acid,2-[(2-aminophenyl)amino]-5-chlorobenzoic acid,Nc1ccccc1Nc2ccc(Cl)cc2C(=O)O,Nc1ccccc1Nc2ccc(Cl)cc2C(=O)O,"InChI=1/C13H11ClN2O2/c14-8-5-6-11(9(7-8)13(17)18)16-12-4-2-1-3-10(12)15/h1-7,16H,15H2,(H,17,18)",C13H11ClN2O2,,,,,,HESOTZPIFSCRFY-UHFFFAOYSA-N,,,,,,,,,,,
100.086.649,295-359-5,92044-80-9,"Phosphorous acid, phenyl tridecyl ester",phenyl tridecyl hydrogen phosphite,CCCCCCCCCCCCCOP(O)Oc1ccccc1,CCCCCCCCCCCCCOP(O)Oc1ccccc1,"InChI=1/C19H33O3P/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-23(20)22-19-16-13-12-14-17-19/h12-14,16-17,20H,2-11,15,18H2,1H3",-,,,,,,HPUYRHNNPAHJBD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.879,275-791-0,71662-25-4,"3,7-dimethyloctyl isobutyrate","3,7-dimethyloctyl 2-methylpropanoate",CC(C)CCCC(C)CCOC(=O)C(C)C,CC(C)CCCC(C)CCOC(=O)C(C)C,"InChI=1/C14H28O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h11-13H,6-10H2,1-5H3",C14H28O2,,,,,,ZQSQUDUOKZGSMF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.005,297-951-9,93776-24-0,"Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro9-(trifluoromethyl)decyl] phosphate","ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C22H9F38O4P.H3N/c23-5(24,9(29,30)13(37,38)17(45,46)15(41,42)11(33,34)7(27,19(49,50)51)20(52,53)54)1-3-63-65(61,62)64-4-2-6(25,26)10(31,32)14(39,40)18(47,48)16(43,44)12(35,36)8(28,21(55,56)57)22(58,59)60;/h1-4H2,(H,61,62);1H3",C22H9F38O4P.H3N,,,,,,PAJVLINIFULMHT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.257,299-330-8,93858-95-8,3-methylbutyl hydrogen 2-butenedioate,4-(3-methylbutoxy)-4-oxobut-2-enoic acid,CC(C)CCOC(=O)C=CC(O)=O,CC(C)CCOC(=O)C=CC(O)=O,"InChI=1/C9H14O4/c1-7(2)5-6-13-9(12)4-3-8(10)11/h3-4,7H,5-6H2,1-2H3,(H,10,11)",C9H14O4,,,,,,BLXAXLZLJUWIGB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.259,299-332-9,93858-97-0,Benzyl[2-hydroxy-3-(tridecyloxy)propyl]dimethylammonium chloride,"N-benzyl-2-hydroxy-N,N-dimethyl-3-(tridecyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCOCC(O)C[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCOCC(O)C[N+](C)(C)Cc1ccccc1,"InChI=1/C25H46NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-28-23-25(27)22-26(2,3)21-24-18-15-14-16-19-24;/h14-16,18-19,25,27H,4-13,17,20-23H2,1-3H3;1H/q+1;/p-1",C25H46NO2.Cl,,,,,,YKSKJDXOMJVTDH-UHFFFAOYSA-M,,,,,,,,,,,
100.090.262,299-336-0,93859-01-9,3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium chloride,"3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium chloride",[Cl-].CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,[Cl-].CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC,"InChI=1/C22H23N2S2.ClH/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1",C22H23N2S2.Cl,,,,,,AKJSLZJYCTZNGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.263,299-337-6,93859-02-0,(2-hydroxyethyl)ammonium tetradecyl sulphate,2-hydroxyethanaminium tetradecyl sulfate,CCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,CCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C14H30O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;3-1-2-4/h2-14H2,1H3,(H,15,16,17);4H,1-3H2",C14H30O4S.C2H7NO,,,,,,RUIOETMATRXRTE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.264,299-338-1,93859-03-1,"2-dodecyl-1,3-phenylene diisocyanate","2-dodecyl-1,3-diisocyanatobenzene",CCCCCCCCCCCCc1c(cccc1N=C=O)N=C=O,CCCCCCCCCCCCc1c(cccc1N=C=O)N=C=O,"InChI=1/C20H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18-19(21-16-23)14-12-15-20(18)22-17-24/h12,14-15H,2-11,13H2,1H3",C20H28N2O2,,,,,,HOFCVMOJMJPJEW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.490,299-586-0,93892-99-0,2-[(tert-butyl)(3-chloro-2-hydroxypropyl)amino]ethyl methacrylate hydrochloride,2-[tert-butyl(3-chloro-2-hydroxypropyl)amino]ethyl 2-methylacrylate hydrochloride,Cl.CC(=C)C(=O)OCCN(CC(O)CCl)C(C)(C)C,Cl.CC(=C)C(=O)OCCN(CC(O)CCl)C(C)(C)C,"InChI=1/C13H24ClNO3.ClH/c1-10(2)12(17)18-7-6-15(13(3,4)5)9-11(16)8-14;/h11,16H,1,6-9H2,2-5H3;1H",C13H24ClNO3.ClH,,,,,,KXMLOQBHSBCCHO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.491,299-587-6,93893-00-6,"2-[(1,1-dimethylethyl)[3-(dodecyloxy)-2-hydroxypropyl]amino]ethyl methacrylate hydrochloride",2-{tert-butyl[3-(dodecyloxy)-2-hydroxypropyl]amino}ethyl 2-methylacrylate hydrochloride,Cl.CCCCCCCCCCCCOCC(O)CN(CCOC(=O)C(=C)C)C(C)(C)C,Cl.CCCCCCCCCCCCOCC(O)CN(CCOC(=O)C(=C)C)C(C)(C)C,"InChI=1/C25H49NO4.ClH/c1-7-8-9-10-11-12-13-14-15-16-18-29-21-23(27)20-26(25(4,5)6)17-19-30-24(28)22(2)3;/h23,27H,2,7-21H2,1,3-6H3;1H",C25H49NO4.ClH,,,,,,WSMHGDURJJQEKK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.493,299-589-7,93893-02-8,"Benzenesulphonic acid, compound with 2,2'-iminodiethanol (1:1)","2,2'-iminodiethanol benzenesulfonate (salt)",OCCNCCO.OS(=O)(=O)c1ccccc1,OCCNCCO.OS(=O)(=O)c1ccccc1,"InChI=1/C6H6O3S.C4H11NO2/c7-10(8,9)6-4-2-1-3-5-6;6-3-1-5-2-4-7/h1-5H,(H,7,8,9);5-7H,1-4H2",C6H6O3S.C4H11NO2,,,,,,DKROAHUSZUFKKP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.038,297-989-6,93776-59-1,"Sodium 2-[[2-amino-8-hydroxy-6-[(methylanilino)sulphonyl]-1-naphthyl]azo]-4-[[4-chloro-6-[(2-methoxyethyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate","sodium 2-({2-amino-8-hydroxy-6-[(2-methylphenyl)sulfamoyl]-1-naphthyl}diazenyl)-4-({4-chloro-6-[(2-methoxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate",[Na+].Clc5nc(Nc4ccc(c(N=Nc1c2c(O)cc(cc2ccc1N)S(=O)(=O)Nc3ccccc3C)c4)S([O-])(=O)=O)nc(NCCOC)n5,[Na+].Clc5nc(Nc4ccc(c(N=Nc1c2c(O)cc(cc2ccc1N)S(=O)(=O)Nc3ccccc3C)c4)S([O-])(=O)=O)nc(NCCOC)n5,"InChI=1/C29H28ClN9O7S2.Na/c1-16-5-3-4-6-21(16)39-47(41,42)19-13-17-7-9-20(31)26(25(17)23(40)15-19)38-37-22-14-18(8-10-24(22)48(43,44)45)33-29-35-27(30)34-28(36-29)32-11-12-46-2;/h3-10,13-15,39-40H,11-12,31H2,1-2H3,(H,43,44,45)(H2,32,33,34,35,36);/q;+1/p-1",C29H28ClN9O7S2.Na,,,,,,JGJYSCOHNZYRCU-UHFFFAOYSA-M,,,,,,,,,,,
100.064.716,271-208-9,68526-52-3,"Alkenes, C6-",hex-3-ene,CC\\C=C\\CC,CC\C=C\CC,"InChI=1/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12241,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.716,ZQDPJFUHLCOCRG-AATRIKPKSA-N,,,,,,,,,,,
100.064.717,271-209-4,68526-53-4,"Alkenes, C6-8, C7-rich",hept-3-ene,CCC\\C=C\\CC,CCC\C=C\CC,"InChI=1/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3",-,,,,,,WZHKDGJSXCTSCK-FNORWQNLSA-N,,,,,,,,,,,
100.064.738,271-233-5,68526-84-1,"Alcohols, C8-10-iso-, C9-rich",7-methyloctan-1-ol,CC(C)CCCCCCO,CC(C)CCCCCCO,"InChI=1/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11910,https://echa.europa.eu/substance-information/-/substanceinfo/100.064.738,QDTDKYHPHANITQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.827,272-430-9,68834-04-8,Sodium 3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]benzenesulphonate,sodium 3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate,[Na+].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2,[Na+].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2,"InChI=1/C16H14N4O7S.Na/c1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;+1/p-1",C16H14N4O7S.Na,,,,,,RBRLUNJQBQJIDD-UHFFFAOYSA-M,,,,,,,,,,,
100.065.828,272-431-4,68834-05-9,"1-bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene","1-bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene",FC(F)C(F)(F)Oc1ccc(Br)cc1,FC(F)C(F)(F)Oc1ccc(Br)cc1,"InChI=1/C8H5BrF4O/c9-5-1-3-6(4-2-5)14-8(12,13)7(10)11/h1-4,7H",C8H5BrF4O,,,,,,VKJYIOCMIHTAET-UHFFFAOYSA-N,,,,,,,,,,,
100.065.830,272-434-0,68834-08-2,"3-[[3-methoxy-4-[(methylsulphonyl)amino]phenyl]azo]naphthalene-1,5-disulphonic acid","3-({3-methoxy-4-[(methylsulfonyl)amino]phenyl}diazenyl)naphthalene-1,5-disulfonic acid",COc1cc(ccc1NS(C)(=O)=O)N=Nc3cc2c(cccc2c(c3)S(O)(=O)=O)S(O)(=O)=O,COc1cc(ccc1NS(C)(=O)=O)N=Nc3cc2c(cccc2c(c3)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H17N3O9S3/c1-30-16-9-11(6-7-15(16)21-31(2,22)23)19-20-12-8-14-13(18(10-12)33(27,28)29)4-3-5-17(14)32(24,25)26/h3-10,21H,1-2H3,(H,24,25,26)(H,27,28,29)",C18H17N3O9S3,,,,,,ROWHQOFXHWIFGG-UHFFFAOYSA-N,,,,,,,,,,,
100.065.834,272-438-2,68840-08-4,5-acetylsalicylaldehyde,5-acetyl-2-hydroxybenzaldehyde,CC(=O)c1ccc(O)c(C=O)c1,CC(=O)c1ccc(O)c(C=O)c1,"InChI=1/C9H8O3/c1-6(11)7-2-3-9(12)8(4-7)5-10/h2-5,12H,1H3",C9H8O3,,,,,,JBZKDSMJNITUIW-UHFFFAOYSA-N,,,,,,,,,,,
100.065.837,272-441-9,68844-77-9,Astemizole,1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine,COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1,COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1,"InChI=1/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)",C28H31FN4O,,,,,,GXDALQBWZGODGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.845,272-450-8,68845-12-5,"N,N''-(methylphenylene)bis[N'-[3-(triethoxysilyl)propyl]urea]","N,N''-(3-methyl-1,2-phenylene)bis{3-[3-(triethoxysilyl)propyl]urea}",CCO[Si](CCCNC(=O)Nc1cccc(C)c1NC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CCCNC(=O)Nc1cccc(C)c1NC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C27H52N4O8Si2/c1-8-34-40(35-9-2,36-10-3)21-15-19-28-26(32)30-24-18-14-17-23(7)25(24)31-27(33)29-20-16-22-41(37-11-4,38-12-5)39-13-6/h14,17-18H,8-13,15-16,19-22H2,1-7H3,(H2,28,30,32)(H2,29,31,33)",C27H52N4O8Si2,,,,,,JJSXKJIZVCWEAT-UHFFFAOYSA-N,,,,,,,,,,,
100.065.856,272-462-3,68845-36-3,Diethyldimethylcyclohex-2-en-1-one,"2,3-diethyl-4,4-dimethylcyclohex-2-en-1-one",CCC1=C(CC)C(C)(C)CCC1=O,CCC1=C(CC)C(C)(C)CCC1=O,"InChI=1/C12H20O/c1-5-9-10(6-2)12(3,4)8-7-11(9)13/h5-8H2,1-4H3",C12H20O,,,,,,IYSJRSILOKLCIF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.614,274-399-7,70210-01-4,"Trisodium 5-[[3-[(2-bromo-1-oxoallyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-({3-[(2-bromoacryloyl)amino]benzoyl}amino)-3-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].BrC(=C)C(=O)Nc1cccc(c1)C(=O)Nc3cc(cc4cc(c(N=Nc2cc(NC(=O)C(Br)=C)ccc2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].BrC(=C)C(=O)Nc1cccc(c1)C(=O)Nc3cc(cc4cc(c(N=Nc2cc(NC(=O)C(Br)=C)ccc2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C29H21Br2N5O13S3.3Na/c1-13(30)27(38)32-17-5-3-4-15(8-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)6-7-22(20)51(44,45)46;;;/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C29H21Br2N5O13S3.3Na,,,,,,GPTGXGSVAYWNAM-UHFFFAOYSA-K,,,,,,,,,,,
100.067.615,274-400-0,70210-03-6,"[p-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzyl]trimethylammonium chloride","{4-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]phenyl}-N,N,N-trimethylmethanaminium chloride",[Cl-].C[N+](C)(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,[Cl-].C[N+](C)(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C24H23N3O2.ClH/c1-27(2,3)14-15-8-10-16(11-9-15)26-20-13-12-19(25)21-22(20)24(29)18-7-5-4-6-17(18)23(21)28;/h4-13H,14H2,1-3H3,(H2-,25,26,28,29);1H",C24H24N3O2.Cl,,,,,,YWQGBEZVKSQFGW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.368,276-328-5,72087-41-3,L-arginine mono(3-methyl-2-oxobutyrate),3-methyl-2-oxobutanoic acid - L-arginine (1:1),CC(C)C(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.C5H8O3/c7-4(5(11)12)2-1-3-10-6(8)9;1-3(2)4(6)5(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H3,(H,7,8)",C6H14N4O2.C5H8O3,,,,,,BZQFWTZAFAGLOE-WCCKRBBISA-N,,,,,,,,,,,
100.086.433,295-116-3,91795-66-3,3-hydroxy-N-[3-(morpholino)propyl]naphthalene-2-carboxamide hydrochloride,3-hydroxy-N-(3-morpholin-4-ylpropyl)-2-naphthamide hydrochloride,Cl.Oc1cc2ccccc2cc1C(=O)NCCCN3CCOCC3,Cl.Oc1cc2ccccc2cc1C(=O)NCCCN3CCOCC3,"InChI=1/C18H22N2O3.ClH/c21-17-13-15-5-2-1-4-14(15)12-16(17)18(22)19-6-3-7-20-8-10-23-11-9-20;/h1-2,4-5,12-13,21H,3,6-11H2,(H,19,22);1H",C18H22N2O3.ClH,,,,,,MAFDNVDQWFNNGE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.976,271-495-0,68568-53-6,Potassium tridecan-1-yl hydrogen phosphate,potassium tridecyl hydrogen phosphate,[K+].CCCCCCCCCCCCCOP(=O)(O)[O-],[K+].CCCCCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C13H29O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H2,14,15,16);/q;+1/p-1",C26H55O4P.K,,,,,,SDVLUEMOPUZMSM-UHFFFAOYSA-M,,,,,,,,,,,
100.064.758,271-255-5,68527-11-7,"Alkenes, C5",pent-2-ene,CC\\C=C\\C,CC\C=C\C,"InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",-,,,,,,QMMOXUPEWRXHJS-HWKANZROSA-N,,,,,,,,,,,
100.064.773,271-271-2,68527-62-8,"Calcium 2,2'-methylenebis[4-(1,1,3,3-tetramethylbutyl)phenolate]","calcium 2,2'-methylenebis[4-(1,1,3,3-tetramethylbutyl)phenolate]",[Ca+2].CC(C)(C)CC(C)(C)c1ccc([O-])c(Cc2cc(ccc2[O-])C(C)(C)CC(C)(C)C)c1,[Ca+2].CC(C)(C)CC(C)(C)c1ccc([O-])c(Cc2cc(ccc2[O-])C(C)(C)CC(C)(C)C)c1,"InChI=1/C29H44O2.Ca/c1-26(2,3)18-28(7,8)22-11-13-24(30)20(16-22)15-21-17-23(12-14-25(21)31)29(9,10)19-27(4,5)6;/h11-14,16-17,30-31H,15,18-19H2,1-10H3;/q;+2/p-2",C29H44O2.xCa,,,,,,YXSZZYUCAWASKW-UHFFFAOYSA-L,,,,,,,,,,,
100.064.775,271-273-3,68527-64-0,"Oleic acid, compound with 2,2',2''-nitrilotri(propan-2-ol) (1:1)","octadec-9-enoic acid - 2,2',2''-nitrilotripropan-2-ol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.CC(C)(O)N(C(C)(C)O)C(C)(C)O,CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(C)(O)N(C(C)(C)O)C(C)(C)O,"InChI=1/C18H34O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7(2,11)10(8(3,4)12)9(5,6)13/h9-10H,2-8,11-17H2,1H3,(H,19,20);11-13H,1-6H3",C18H34O2.C9H21NO3,,,,,,GMNXHEFLLBDATL-KVVVOXFISA-N,,,,,,,,,,,
100.064.779,271-278-0,68527-73-1,"7-bromo-6-methoxy-2,7-dimethyloctan-1-ol","7-bromo-6-methoxy-2,7-dimethyloctan-1-ol",COC(CCCC(C)CO)C(C)(C)Br,COC(CCCC(C)CO)C(C)(C)Br,"InChI=1/C11H23BrO2/c1-9(8-13)6-5-7-10(14-4)11(2,3)12/h9-10,13H,5-8H2,1-4H3",C11H23BrO2,,,,,,DOOYDTPWMJXOPI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.782,271-281-7,68527-76-4,"2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol","2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol",CCOc1cc(ccc1O)C2OCC(C)O2,CCOc1cc(ccc1O)C2OCC(C)O2,"InChI=1/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3",C12H16O4,,,,,,IFUIILQWHYHIEK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.784,271-283-8,68527-78-6,Methyl 2-[[2-(phenylmethylene)heptylidene]amino]benzoate,methyl 2-[(2-benzylideneheptylidene)amino]benzoate,COC(=O)c2ccccc2N=CC(=Cc1ccccc1)CCCCC,COC(=O)c2ccccc2N=CC(=Cc1ccccc1)CCCCC,"InChI=1/C22H25NO2/c1-3-4-6-13-19(16-18-11-7-5-8-12-18)17-23-21-15-10-9-14-20(21)22(24)25-2/h5,7-12,14-17H,3-4,6,13H2,1-2H3",C22H25NO2,,,,,,YQIWYASBSBXASC-UHFFFAOYSA-N,,,,,,,,,,,
100.064.785,271-284-3,68527-79-7,"8-(1H-indol-1-yl)-2,6-dimethyloct-7-en-2-ol","8-(1H-indol-1-yl)-2,6-dimethyloct-7-en-2-ol",CC(C)(O)CCCC(C)C=Cn2ccc1ccccc12,CC(C)(O)CCCC(C)C=Cn2ccc1ccccc12,"InChI=1/C18H25NO/c1-15(7-6-12-18(2,3)20)10-13-19-14-11-16-8-4-5-9-17(16)19/h4-5,8-11,13-15,20H,6-7,12H2,1-3H3",C18H25NO,,,,,,HAPNXLWNFLTTIE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.789,271-289-0,68527-83-3,3-(tetradecyloxy)propanenitrile,3-(tetradecyloxy)propanenitrile,CCCCCCCCCCCCCCOCCC#N,CCCCCCCCCCCCCCOCCC#N,"InChI=1/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h2-14,16-17H2,1H3",C17H33NO,,,,,,NSEZEILPAFNORQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.685,268-974-1,68155-62-4,"Disodium 7-[[2-(acetylamino)-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]naphthalene-1,3-disulphonate","disodium 7-({2-acetamido-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].Clc4c(Nc3cc(NC(C)=O)c(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(F)nc4F,[Na+].[Na+].Clc4c(Nc3cc(NC(C)=O)c(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(F)nc4F,"InChI=1/C22H15ClF2N6O7S2.2Na/c1-10(32)26-17-8-12(27-21-19(23)20(24)28-22(25)29-21)4-5-16(17)31-30-13-3-2-11-6-14(39(33,34)35)9-18(15(11)7-13)40(36,37)38;;/h2-9H,1H3,(H,26,32)(H,27,28,29)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C22H15ClF2N6O7S2.2Na,,,,,,PJFSGBWVNVLHPM-UHFFFAOYSA-L,,,,,,,,,,,
100.062.689,268-978-3,68155-66-8,"1-(1,2,3,5,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one","1-(2,3,8,8-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone",CC1C=C2CCCC(C)(C)C2CC1(C)C(=O)C,CC1C=C2CCCC(C)(C)C2CC1(C)C(=O)C,"InChI=1/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h9,11,14H,6-8,10H2,1-5H3",C16H26O,,,,,,NOMWSTMYQKABST-UHFFFAOYSA-N,,,,,,,,,,,
100.068.881,275-793-1,71662-27-6,2-ethoxy-1-methyl-2-oxoethyl butyrate,2-ethoxy-1-methyl-2-oxoethyl butyrate,CCCC(=O)OC(C)C(=O)OCC,CCCC(=O)OC(C)C(=O)OCC,"InChI=1/C9H16O4/c1-4-6-8(10)13-7(3)9(11)12-5-2/h7H,4-6H2,1-3H3",C9H16O4,,,,,,RBNOGZRVVHLYKT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.882,275-794-7,71662-28-7,2-ethylhexyl isovalerate,2-ethylhexyl 3-methylbutanoate,CCCCC(CC)COC(=O)CC(C)C,CCCCC(CC)COC(=O)CC(C)C,"InChI=1/C13H26O2/c1-5-7-8-12(6-2)10-15-13(14)9-11(3)4/h11-12H,5-10H2,1-4H3",C13H26O2,,,,,,IZWXVMVETJYLIH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.885,275-797-3,71662-31-2,4-[(4-hydroxyphenyl)amino]-1-naphthol,4-[(4-hydroxyphenyl)amino]-1-naphthol,Oc1ccc(Nc2ccc(O)c3ccccc23)cc1,Oc1ccc(Nc2ccc(O)c3ccccc23)cc1,"InChI=1/C16H13NO2/c18-12-7-5-11(6-8-12)17-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10,17-19H",C16H13NO2,,,,,,JHZVBYOUVQPKER-UHFFFAOYSA-N,,,,,,,,,,,
100.068.893,275-806-0,71662-39-0,4-hydroxyphenyl 4-chlorobutyrate,4-hydroxyphenyl 4-chlorobutanoate,Oc1ccc(OC(=O)CCCCl)cc1,Oc1ccc(OC(=O)CCCCl)cc1,"InChI=1/C10H11ClO3/c11-7-1-2-10(13)14-9-5-3-8(12)4-6-9/h3-6,12H,1-2,7H2",C10H11ClO3,,,,,,CJIUVLDHMQGFRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.897,275-810-2,71672-74-7,2-(aminocarbonyl)iodobenzoic acid,2-carbamoylbenzoyl iodide,O=C(N)c1ccccc1C(I)=O,O=C(N)c1ccccc1C(I)=O,"InChI=1/C8H6INO2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,10,12)",C8H6INO3,,,,,,TYEABEDSZWWXRE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.898,275-811-8,71672-75-8,o-ethoxybenzyl alcohol,(2-ethoxyphenyl)methanol,CCOc1ccccc1CO,CCOc1ccccc1CO,"InChI=1/C9H12O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6,10H,2,7H2,1H3",C9H12O2,,,,,,ICJVQAHPHKYCNU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.902,275-816-5,71672-80-5,"2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide","2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide",NC(=O)C12OC1(Cl)CCCC2(Cl)Cl,NC(=O)C12OC1(Cl)CCCC2(Cl)Cl,"InChI=1/C7H8Cl3NO2/c8-5(9)2-1-3-6(10)7(5,13-6)4(11)12/h1-3H2,(H2,11,12)",C7H8Cl3NO2,,,,,,RJDOGZFPFXYFDM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.911,275-825-4,71672-90-7,"2,2,4-trimethylpentyl laurate","2,2,4-trimethylpentyl laurate",CCCCCCCCCCCC(=O)OCC(C)(C)CC(C)C,CCCCCCCCCCCC(=O)OCC(C)(C)CC(C)C,"InChI=1/C20H40O2/c1-6-7-8-9-10-11-12-13-14-15-19(21)22-17-20(4,5)16-18(2)3/h18H,6-17H2,1-5H3",C20H40O2,,,,,,AOVJXHIIJRHNOT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.918,275-833-8,71675-87-1,4-amino-5-(ethylsulphonyl)-o-anisic acid,4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid,CCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1N,CCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1N,"InChI=1/C10H13NO5S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)",C10H13NO5S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11294,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.918,OJVNCXHGGYYOPH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.166,268-403-6,68083-54-5,(4-ethylphenyl)acetaldehyde,(4-ethylphenyl)acetaldehyde,CCc1ccc(CC=O)cc1,CCc1ccc(CC=O)cc1,"InChI=1/C10H12O/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6,8H,2,7H2,1H3",C10H12O,,,,,,PWBRLMKOCGLZAH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.168,268-405-7,68083-56-7,5-ethyl-2-methylnonan-1-ol,5-ethyl-2-methylnonan-1-ol,CCCCC(CC)CCC(C)CO,CCCCC(CC)CCC(C)CO,"InChI=1/C12H26O/c1-4-6-7-12(5-2)9-8-11(3)10-13/h11-13H,4-10H2,1-3H3",C12H26O,,,,,,WIGUFLFEXMLRCT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.169,268-406-2,68083-57-8,Dodec-3-en-1-al,dodec-3-enal,CCCCCCCCC=CCC=O,CCCCCCCCC=CCC=O,"InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,12H,2-8,11H2,1H3",C12H22O,,,,,,HBBONAOKVLYWBI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.182,268-420-9,68084-08-2,3-ethoxy-4-methylvaleraldehyde,3-ethoxy-4-methylpentanal,CCOC(CC=O)C(C)C,CCOC(CC=O)C(C)C,"InChI=1/C8H16O2/c1-4-10-8(5-6-9)7(2)3/h6-8H,4-5H2,1-3H3",C8H16O2,,,,,,BJRVNLMGJUBQLM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.189,268-428-2,68084-16-2,"4-[(4-amino-5-methoxy-o-tolyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",Nc1cc(C)c(cc1OC)N=Nc3cc(cc2cc(cc(O)c23)S(O)(=O)=O)S(O)(=O)=O,Nc1cc(C)c(cc1OC)N=Nc3cc(cc2cc(cc(O)c23)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C18H17N3O8S2/c1-9-3-13(19)17(29-2)8-14(9)20-21-15-6-11(30(23,24)25)4-10-5-12(31(26,27)28)7-16(22)18(10)15/h3-8,22H,19H2,1-2H3,(H,23,24,25)(H,26,27,28)",C18H17N3O8S2,,,,,,RRMNLFKNUMFJTH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.190,268-429-8,68084-17-3,"Ethyl 2,4-dinitrophenylacetate","ethyl (2,4-dinitrophenyl)acetate",CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H10N2O6/c1-2-18-10(13)5-7-3-4-8(11(14)15)6-9(7)12(16)17/h3-4,6H,2,5H2,1H3",C10H10N2O6,,,,,,GLXVIYXAYZPDSM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.191,268-430-3,68084-18-4,"4-[(2-bromo-4,6-dinitrophenyl)azo]-N-ethylnaphthalen-1-amine","4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethylnaphthalen-1-amine",Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCC)c1ccccc12)[N+]([O-])=O,Brc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCC)c1ccccc12)[N+]([O-])=O,"InChI=1/C18H14BrN5O4/c1-2-20-15-7-8-16(13-6-4-3-5-12(13)15)21-22-18-14(19)9-11(23(25)26)10-17(18)24(27)28/h3-10,20H,2H2,1H3",C18H14BrN5O4,,,,,,ZZOIADZSKZGBIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.192,268-431-9,68084-20-8,"2,2-bis(hydroxymethyl)butyl 6-aminohexanoate","2,2-bis(hydroxymethyl)butyl 6-aminohexanoate",CCC(CO)(CO)COC(=O)CCCCCN,CCC(CO)(CO)COC(=O)CCCCCN,"InChI=1/C12H25NO4/c1-2-12(8-14,9-15)10-17-11(16)6-4-3-5-7-13/h14-15H,2-10,13H2,1H3",C12H25NO4,,,,,,DWVOZKAOIUGQCB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.046,297-998-5,93776-70-6,"Iron(3+) potassium 2-hydroxypropane-1,2,3-tricarboxylate(3:3:4)","iron(3+) potassium 2-hydroxypropane-1,2,3-tricarboxylate(3:3:4)",[Fe+3].[Fe+3].[Fe+3].[K+].[K+].[K+].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O,[Fe+3].[Fe+3].[Fe+3].[K+].[K+].[K+].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O,"InChI=1/4C6H8O7.3Fe.3K/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;/q;;;;3*+3;3*+1/p-12",C6H8O7.3/4Fe.3/4K,,,,,,MGSZEHDEEXNSRW-UHFFFAOYSA-B,,,,,,,,,,,
100.089.050,298-002-1,93776-76-2,"Bismuth(3+) (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-ß-alaninate","bismuth(3+) tris{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate}",[BiH3+3].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],[BiH3+3].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],"InChI=1/3C9H17NO5.Bi.3H/c3*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;;;/h3*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;;;/q;;;+3;;;/p-3/r3C9H17NO5.BiH3/c3*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h3*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H3/q;;;+3/p-3",C9H17NO5.1/3Bi,,,,,,GIXWMVLXJVCGHP-GKCYKVBLSA-K,,,,,,,,,,,
100.089.052,298-004-2,93776-78-4,"Calcium 2,5-dimethyl-3,4-dithioxoadipate","calcium 2,5-dimethyl-3,4-dithioxohexanedioate",[Ca+2].CC(C(=O)[O-])C(=S)C(=S)C(C)C(=O)[O-],[Ca+2].CC(C(=O)[O-])C(=S)C(=S)C(C)C(=O)[O-],"InChI=1/C8H10O4S2.Ca/c1-3(7(9)10)5(13)6(14)4(2)8(11)12;/h3-4H,1-2H3,(H,9,10)(H,11,12);/q;+2/p-2",C8H10O4S2.Ca,,,,,,ADRVTASORWAZLS-UHFFFAOYSA-L,,,,,,,,,,,
100.089.056,298-008-4,93776-82-0,Diethyl(2-hydroxyethyl)ammonium palmitate,"N,N-diethyl-2-hydroxyethanaminium palmitate",CCCCCCCCCCCCCCCC(=O)[O-].CC[NH+](CC)CCO,CCCCCCCCCCCCCCCC(=O)[O-].CC[NH+](CC)CCO,"InChI=1/C16H32O2.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-7(4-2)5-6-8/h2-15H2,1H3,(H,17,18);8H,3-6H2,1-2H3",C16H32O2.C6H15NO,,,,,,VMLYOMOCGGLDCK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.058,298-011-0,93776-84-2,2-hydroxypropyl acetoacetate,2-hydroxypropyl 3-oxobutanoate,CC(O)COC(=O)CC(=O)C,CC(O)COC(=O)CC(=O)C,"InChI=1/C7H12O4/c1-5(8)3-7(10)11-4-6(2)9/h6,9H,3-4H2,1-2H3",C7H12O4,,,,,,RIHNJKJOVOCAGO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.059,298-012-6,93776-85-3,1-isocyanato-4-(isocyanatomethyl)-1-methylcyclohexane,1-isocyanato-4-(isocyanatomethyl)-1-methylcyclohexane,CC1(CCC(CN=C=O)CC1)N=C=O,CC1(CCC(CN=C=O)CC1)N=C=O,"InChI=1/C10H14N2O2/c1-10(12-8-14)4-2-9(3-5-10)6-11-7-13/h9H,2-6H2,1H3",C10H14N2O2,,,,,,RLAUGOOVNMKKCB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.063,298-016-8,93776-89-7,"Octaammonium tetrahydrogen [2,5,8,11,14-pentakis(phosphonatomethyl)-2,5,8,11,14-pentaazapentadecane-1,15-diyl]bisphosphonate",-,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.8H3N/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);8*1H3/p-6",C15H44N5O21P7.8H3N,,,,,,IKZIZKNJWQNFME-UHFFFAOYSA-H,,,,,,,,,,,
100.089.068,298-022-0,93776-94-4,5-ethyl-2-(8-methyl-4-methylenenon-7-enyl)pyridine,5-ethyl-2-(8-methyl-4-methylenenon-7-en-1-yl)pyridine,CCc1ccc(CCCC(=C)CCC=C(C)C)nc1,CCc1ccc(CCCC(=C)CCC=C(C)C)nc1,"InChI=1/C18H27N/c1-5-17-12-13-18(19-14-17)11-7-10-16(4)9-6-8-15(2)3/h8,12-14H,4-7,9-11H2,1-3H3",C18H27N,,,,,,QMEFBIYGMFHTCE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.072,298-026-2,93776-99-9,"1-(3,4-dihydroxyphenyl)-2-(ethylamino)propan-1-one hydrochloride","1-(3,4-dihydroxyphenyl)-2-(ethylamino)propan-1-one hydrochloride",Cl.CCNC(C)C(=O)c1ccc(O)c(O)c1,Cl.CCNC(C)C(=O)c1ccc(O)c(O)c1,"InChI=1/C11H15NO3.ClH/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8;/h4-7,12-14H,3H2,1-2H3;1H",C11H15NO3.ClH,,,,,,LLMPPBGENYMYQW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.267,299-341-8,93859-06-4,"4-methyl-N,N'-bis(1,2,2-trimethylpropylidene)cyclohexane-1,3-diamine","4-methyl-N,N'-bis(1,2,2-trimethylpropylidene)cyclohexane-1,3-diamine",CC(C)(C)C(C)=NC1CC(N=C(C)C(C)(C)C)C(C)CC1,CC(C)(C)C(C)=NC1CC(N=C(C)C(C)(C)C)C(C)CC1,"InChI=1/C19H36N2/c1-13-10-11-16(20-14(2)18(4,5)6)12-17(13)21-15(3)19(7,8)9/h13,16-17H,10-12H2,1-9H3",C19H36N2,,,,,,KKAPTDXXXZADDX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.271,299-346-5,93859-10-0,"N,N'-bis(1-methylpropylidene)-4-methylcyclohexane-1,3-diamine","4-methyl-N,N'-bis(1-methylpropylidene)cyclohexane-1,3-diamine",CC(CC)=NC1CC(N=C(C)CC)C(C)CC1,CC(CC)=NC1CC(N=C(C)CC)C(C)CC1,"InChI=1/C15H28N2/c1-6-12(4)16-14-9-8-11(3)15(10-14)17-13(5)7-2/h11,14-15H,6-10H2,1-5H3",C15H28N2,,,,,,YIVCBTFDBCYFIL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.277,299-352-8,93859-16-6,"3-(2,6-dibromophenoxy)-2-hydroxypropyl acrylate","3-(2,6-dibromophenoxy)-2-hydroxypropyl acrylate",OC(COC(=O)C=C)COc1c(Br)cccc1Br,OC(COC(=O)C=C)COc1c(Br)cccc1Br,"InChI=1/C12H12Br2O4/c1-2-11(16)17-6-8(15)7-18-12-9(13)4-3-5-10(12)14/h2-5,8,15H,1,6-7H2",C12H12Br2O4,,,,,,BUYKKZZZSXNLOF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.279,299-354-9,93859-18-8,Furfuryl 3-mercapto-2-methylpropionate,2-furylmethyl 2-methyl-3-sulfanylpropanoate,CC(CS)C(=O)OCc1occc1,CC(CS)C(=O)OCc1occc1,"InChI=1/C9H12O3S/c1-7(6-13)9(10)12-5-8-3-2-4-11-8/h2-4,7,13H,5-6H2,1H3",C9H12O3S,,,,,,FOOVFONKSXVRGG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.619,274-404-2,70210-07-0,"Disodium 4-[[2,4-dihydroxy-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]benzenesulphonate","disodium 4-{[2,4-dihydroxy-5-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}benzenesulfonate",[Na+].[Na+].Oc2cc(O)c(cc2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4,[Na+].[Na+].Oc2cc(O)c(cc2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4,"InChI=1/C24H18N6O8S2.2Na/c31-23-14-24(32)22(30-28-18-7-11-20(12-8-18)40(36,37)38)13-21(23)29-27-16-3-1-15(2-4-16)25-26-17-5-9-19(10-6-17)39(33,34)35;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C24H18N6O8S2.2Na,,,,,,KIQNBRVSQLGMGA-UHFFFAOYSA-L,,,,,,,,,,,
100.067.620,274-405-8,70210-08-1,N-(2-acetoxyethyl)-6-hydroxy-N-methyl-5-[[4-(phenylazo)phenyl]azo]naphthalene-2-sulphonamide,2-{[(6-hydroxy-5-{[4-(phenyldiazenyl)phenyl]diazenyl}-2-naphthyl)sulfonyl](methyl)amino}ethyl acetate,CC(=O)OCCN(C)S(=O)(=O)c3cc4ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c4cc3,CC(=O)OCCN(C)S(=O)(=O)c3cc4ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c4cc3,"InChI=1/C27H25N5O5S/c1-19(33)37-17-16-32(2)38(35,36)24-13-14-25-20(18-24)8-15-26(34)27(25)31-30-23-11-9-22(10-12-23)29-28-21-6-4-3-5-7-21/h3-15,18,34H,16-17H2,1-2H3",C27H25N5O5S,,,,,,QYPMQVPIDNIKAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.553,276-531-9,72245-61-5,Disodium 2-[2-(4-amino-2-sulphonatophenyl)vinyl]-5-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]benzenesulphonate,disodium 5-amino-2-{2-[4-({1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)-2-sulfonatophenyl]vinyl}benzenesulfonate,[Na+].[Na+].COc3ccccc3NC(=O)C(N=Nc2ccc(/C=C/c1ccc(N)cc1S([O-])(=O)=O)c(c2)S([O-])(=O)=O)C(C)=O,[Na+].[Na+].COc3ccccc3NC(=O)C(N=Nc2ccc(/C=C/c1ccc(N)cc1S([O-])(=O)=O)c(c2)S([O-])(=O)=O)C(C)=O,"InChI=1/C25H24N4O9S2.2Na/c1-15(30)24(25(31)27-20-5-3-4-6-21(20)38-2)29-28-19-12-10-17(23(14-19)40(35,36)37)8-7-16-9-11-18(26)13-22(16)39(32,33)34;;/h3-14,24H,26H2,1-2H3,(H,27,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C25H24N4O9S2.2Na,,,,,,OAJPOQUUJWWQJC-MIUNMJKHSA-L,,,,,,,,,,,
100.069.554,276-532-4,72245-63-7,Bis[3-(3-amino-3-oxopropyl)-2-[[4-[(2-chloroethyl)ethylamino]phenyl]azo]-6-ethoxybenzothiazolium] tetrachlorozincate,"bis[3-(3-amino-3-oxopropyl)-2-({4-[(2-chloroethyl)(ethyl)amino]phenyl}diazenyl)-6-ethoxy-1,3-benzothiazol-3-ium] tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.CCN(CCCl)c1ccc(cc1)N=Nc3sc2cc(OCC)ccc2[n+]3CCC(N)=O.CCN(CCCl)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OCC,Cl[Zn-2](Cl)(Cl)Cl.CCN(CCCl)c1ccc(cc1)N=Nc3sc2cc(OCC)ccc2[n+]3CCC(N)=O.CCN(CCCl)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OCC,"InChI=1/2C22H26ClN5O2S.4ClH.Zn/c2*1-3-27(14-12-23)17-7-5-16(6-8-17)25-26-22-28(13-11-21(24)29)19-10-9-18(30-4-2)15-20(19)31-22;;;;;/h2*5-10,15H,3-4,11-14H2,1-2H3,(H-,24,29);4*1H;/q;;;;;;+2/p-2/r2C22H26ClN5O2S.Cl4Zn/c2*1-3-27(14-12-23)17-7-5-16(6-8-17)25-26-22-28(13-11-21(24)29)19-10-9-18(30-4-2)15-20(19)31-22;1-5(2,3)4/h2*5-10,15H,3-4,11-14H2,1-2H3,(H-,24,29);/q;;-2/p+2",C22H27ClN5O2S.1/2Cl4Zn,,,,,,CNASTTDDUSQNTN-UHFFFAOYSA-L,,,,,,,,,,,
100.069.558,276-537-1,72252-45-0,"2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate","2-(2-{4-[(2-chloroethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium acetate",CN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-],"InChI=1/C22H26ClN2.C2H4O2/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-2(3)4/h5-14H,15-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C22H26ClN2.C2H3O2,,,,,,GMIHMJDYWZDDEC-UHFFFAOYSA-M,,,,,,,,,,,
100.069.563,276-542-9,72257-53-5,"1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl acetate","1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-6-yl acetate",CC(=O)OC1CC2CCC1(C)OC2(C)C,CC(=O)OC1CC2CCC1(C)OC2(C)C,"InChI=1/C12H20O3/c1-8(13)14-10-7-9-5-6-12(10,4)15-11(9,2)3/h9-10H,5-7H2,1-4H3",C12H20O3,,,,,,XRKZFZWIYZDOQO-UHFFFAOYSA-N,,,,,,,,,,,
100.066.274,272-923-9,68920-64-9,"Disulfides, di-C1-2-alkyl","1,1'-disulfanediyldiethane",CCSSCC,CCSSCC,"InChI=1/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3",-,,,,,,CETBSQOFQKLHHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.375,274-136-6,69828-87-1,"3-[[4-[(2-chloro-4,6-dinitrophenyl)azo]naphthyl]amino]propane-1,2-diol","3-({4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-1-naphthyl}amino)propane-1,2-diol",Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCC(O)CO)c1ccccc12)[N+]([O-])=O,Clc3cc(cc([N+]([O-])=O)c3N=Nc2ccc(NCC(O)CO)c1ccccc12)[N+]([O-])=O,"InChI=1/C19H16ClN5O6/c20-15-7-11(24(28)29)8-18(25(30)31)19(15)23-22-17-6-5-16(21-9-12(27)10-26)13-3-1-2-4-14(13)17/h1-8,12,21,26-27H,9-10H2",C19H16ClN5O6,,,,,,XDBOSNLBUUIWCY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.382,274-143-4,69834-22-6,"4,4'-oxybis[decylbenzenesulphonic] acid","4,4'-oxybis(2-decylbenzenesulfonic acid)",CCCCCCCCCCc1cc(Oc2ccc(c(CCCCCCCCCC)c2)S(=O)(=O)O)ccc1S(=O)(=O)O,CCCCCCCCCCc1cc(Oc2ccc(c(CCCCCCCCCC)c2)S(=O)(=O)O)ccc1S(=O)(=O)O,"InChI=1/C32H50O7S2/c1-3-5-7-9-11-13-15-17-19-27-25-29(21-23-31(27)40(33,34)35)39-30-22-24-32(41(36,37)38)28(26-30)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3,(H,33,34,35)(H,36,37,38)",C32H50O7S2,,,,,,GPLSETFOKIMUQT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.387,274-149-7,69847-37-6,4-[2-amino-4-[(1-oxooctadecyl)amino]anilino]phenyl ethyl carbonate,4-{[2-amino-4-(stearoylamino)phenyl]amino}phenyl ethyl carbonate,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Nc2ccc(OC(=O)OCC)cc2)c(N)c1,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Nc2ccc(OC(=O)OCC)cc2)c(N)c1,"InChI=1/C33H51N3O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(37)36-28-22-25-31(30(34)26-28)35-27-20-23-29(24-21-27)40-33(38)39-4-2/h20-26,35H,3-19,34H2,1-2H3,(H,36,37)",C33H51N3O4,,,,,,MZZZZSLFQVXKTG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.690,268-979-9,68155-67-9,"1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one","1-(2,3,8,8-tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanone",CC1CC2=CCCC(C)(C)C2CC1(C)C(=O)C,CC1CC2=CCCC(C)(C)C2CC1(C)C(=O)C,"InChI=1/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h7,11,14H,6,8-10H2,1-5H3",C16H26O,,,,,,YLWIXGWLTDBBHL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.691,268-980-4,68155-68-0,"Dipotassium disodium 4,4'-bis[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","dipotassium disodium 2,2'-ethene-1,2-diylbis[5-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[K+].[K+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Cl)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n2)cc1,[Na+].[Na+].[K+].[K+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Cl)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n2)cc1,"InChI=1/C32H24Cl2N10O12S4.2K.2Na/c33-27-39-29(35-19-7-11-23(12-8-19)57(45,46)47)43-31(41-27)37-21-5-3-17(25(15-21)59(51,52)53)1-2-18-4-6-22(16-26(18)60(54,55)56)38-32-42-28(34)40-30(44-32)36-20-9-13-24(14-10-20)58(48,49)50;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;;;/q;4*+1/p-4",C32H24Cl2N10O12S4.2K.2Na,,,,,,UPBSFSNMZCAJDJ-MBCFVHIPSA-J,,,,,,,,,,,
100.062.694,268-984-6,68155-71-5,4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-N-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]benzamide,4-({1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)-N-[4-({1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)phenyl]benzamide,COc4ccccc4NC(=O)C(N=Nc3ccc(NC(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1OC)cc2)cc3)C(C)=O,COc4ccccc4NC(=O)C(N=Nc3ccc(NC(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccccc1OC)cc2)cc3)C(C)=O,"InChI=1/C35H33N7O7/c1-21(43)31(34(46)37-27-9-5-7-11-29(27)48-3)41-39-25-15-13-23(14-16-25)33(45)36-24-17-19-26(20-18-24)40-42-32(22(2)44)35(47)38-28-10-6-8-12-30(28)49-4/h5-20,31-32H,1-4H3,(H,36,45)(H,37,46)(H,38,47)",C35H33N7O7,,,,,,NWOKKZCOSYPGDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.696,268-986-7,68155-74-8,4-(hexahydro-1H-azepin-1-yl)benzenediazonium tetrachlorozincate (2:1),bis(4-azepan-1-ylbenzenediazonium) tetrachlorozincate(2-),Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(cc1)N2CCCCCC2.N#[N+]c3ccc(cc3)N4CCCCCC4,Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(cc1)N2CCCCCC2.N#[N+]c3ccc(cc3)N4CCCCCC4,"InChI=1/2C12H16N3.4ClH.Zn/c2*13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15;;;;;/h2*5-8H,1-4,9-10H2;4*1H;/q2*+1;;;;;+2/p-4/r2C12H16N3.Cl4Zn/c2*13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15;1-5(2,3)4/h2*5-8H,1-4,9-10H2;/q2*+1;-2",C12H16N3.1/2Cl4Zn,,,,,,HIUVXTNLUOXESA-UHFFFAOYSA-J,,,,,,,,,,,
100.062.700,268-990-9,68155-78-2,Heptasodium trihydrogen [[bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methyl]phosphonate,heptasodium trihydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.7Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;/q;7*+1/p-10",C9H28N3O15P5.7Na,,,,,,OIPXXWBYRWQVLJ-UHFFFAOYSA-D,,,,,,,,,,,
100.064.802,271-304-0,68540-43-2,"Sodium a,a,4-trimethylcyclohex-3-ene-1-methanolate",sodium 2-(4-methylcyclohex-3-en-1-yl)propan-2-olate,[Na+].CC1=CCC(CC1)C(C)(C)[O-],[Na+].CC1=CCC(CC1)C(C)(C)[O-],"InChI=1/C10H17O.Na/c1-8-4-6-9(7-5-8)10(2,3)11;/h4,9H,5-7H2,1-3H3;/q-1;+1",C10H18O.Na,,,,,,HYRQFPFINJXYCB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.816,271-319-2,68540-84-1,"4-chloro-a,a,a-trifluorotoluene-3-diazonium chloride, compound with zinc chloride","4-chloro-alpha,alpha,alpha-trifluorotoluene-3-diazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].FC(F)(F)c1ccc(Cl)c(c1)[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].FC(F)(F)c1ccc(Cl)c(c1)[N+]#N,"InChI=1/C7H3ClF3N2.3ClH.Zn/c8-5-2-1-4(7(9,10)11)3-6(5)13-12;;;;/h1-3H;3*1H;/q+1;;;;+2/p-3",C7H3ClF3N2.xCl2Zn.xCl,,,,,,SKEOZXCWHVHDOJ-UHFFFAOYSA-K,,,,,,,,,,,
100.064.821,271-325-5,68540-89-6,"(2,5-diethoxy-4-nitrophenyl) phenyl ketone","(2,5-diethoxy-4-nitrophenyl)(phenyl)methanone",CCOc1cc(c(OCC)cc1C(=O)c2ccccc2)[N+](=O)[O-],CCOc1cc(c(OCC)cc1C(=O)c2ccccc2)[N+](=O)[O-],"InChI=1/C17H17NO5/c1-3-22-15-11-14(18(20)21)16(23-4-2)10-13(15)17(19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3",C17H17NO5,,,,,,AHZAMSMMRIEQLK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.828,271-332-3,68540-99-8,N-[3-[[8-(acetylamino)-2-hydroxy-1-naphthyl]azo]-2-hydroxy-5-nitrophenyl]acetamide,N-{3-[(8-acetamido-2-hydroxy-1-naphthyl)diazenyl]-2-hydroxy-5-nitrophenyl}acetamide,Oc3c(cc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)[N+]([O-])=O)NC(C)=O,Oc3c(cc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)[N+]([O-])=O)NC(C)=O,"InChI=1/C20H17N5O6/c1-10(26)21-14-5-3-4-12-6-7-17(28)19(18(12)14)24-23-16-9-13(25(30)31)8-15(20(16)29)22-11(2)27/h3-9,28-29H,1-2H3,(H,21,26)(H,22,27)",C20H17N5O6,,,,,,LAESNCGSUIZTJV-UHFFFAOYSA-N,,,,,,,,,,,
100.062.193,268-432-4,68084-22-0,"Trisodium 4-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-3-hydroxynaphthalene-2,7-disulphonate","trisodium 4-({4'-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-3-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2OC)c5ccc(N=Nc3c4ccc(cc4cc(c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c5,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2OC)c5ccc(N=Nc3c4ccc(cc4cc(c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c5,"InChI=1/C34H27N5O13S3.3Na/c1-51-27-13-17(3-9-25(27)36-38-31-23-8-6-22(53(42,43)44)12-20(23)16-30(34(31)41)55(48,49)50)18-4-10-26(28(14-18)52-2)37-39-32-29(54(45,46)47)15-19-11-21(35)5-7-24(19)33(32)40;;;/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",C34H27N5O13S3.3Na,,,,,,WMPOYSDHUBXBPN-UHFFFAOYSA-K,,,,,,,,,,,
100.068.041,274-868-6,70776-20-4,"Disodium 5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]azo]-2-[2-(4-nitro-2-sulphonatophenyl)vinyl]benzenesulphonate","disodium 5-[(4-{[(4,6-dichloro-1,3,5-triazin-2-yl)methyl]amino}phenyl)diazenyl]-2-[2-(4-nitro-2-sulfonatophenyl)vinyl]benzenesulfonate",[Na+].[Na+].Clc4nc(CNc3ccc(N=Nc2ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(c2)S([O-])(=O)=O)cc3)nc(Cl)n4,[Na+].[Na+].Clc4nc(CNc3ccc(N=Nc2ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(c2)S([O-])(=O)=O)cc3)nc(Cl)n4,"InChI=1/C24H17Cl2N7O8S2.2Na/c25-23-28-22(29-24(26)30-23)13-27-16-6-8-17(9-7-16)31-32-18-5-3-14(20(11-18)42(36,37)38)1-2-15-4-10-19(33(34)35)12-21(15)43(39,40)41;;/h1-12,27H,13H2,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C24H17Cl2N7O8S2.2Na,,,,,,BQHRYUSKRYSBKJ-HMUQXFFYSA-L,,,,,,,,,,,
100.068.055,274-883-8,70776-89-5,"4-(1,1-dibut-2-enylpent-3-enyl)pyridine","4-(1,1-dibut-2-en-1-ylpent-3-en-1-yl)pyridine",CC=CCC(CC=CC)(CC=CC)c1ccncc1,CC=CCC(CC=CC)(CC=CC)c1ccncc1,"InChI=1/C18H25N/c1-4-7-12-18(13-8-5-2,14-9-6-3)17-10-15-19-16-11-17/h4-11,15-16H,12-14H2,1-3H3",C18H25N,,,,,,IZDCTQDGYOSQRY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.057,274-885-9,70779-09-8,Methyl 3a-[(ethoxycarbonyl)oxy]-12a-hydroxy-5ß-cholan-24-oate,methyl 3-[(ethoxycarbonyl)oxy]-12-hydroxycholan-24-oate,CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)[C@@H](O)C[C@H]23)C1,CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)[C@@H](O)C[C@H]23)C1,"InChI=1/C28H46O6/c1-6-33-26(31)34-19-13-14-27(3)18(15-19)8-9-20-22-11-10-21(17(2)7-12-25(30)32-5)28(22,4)24(29)16-23(20)27/h17-24,29H,6-16H2,1-5H3",C28H46O6,,,,,,YOFASZAQCBTMOW-YCHOJBIXSA-N,,,,,,,,,,,
100.068.059,274-888-5,70783-44-7,"2,2,2-trifluoro-1-[4-(morpholin-4-yl)phenyl]ethan-1-one","2,2,2-trifluoro-1-(4-morpholin-4-ylphenyl)ethanone",FC(F)(F)C(=O)c1ccc(cc1)N2CCOCC2,FC(F)(F)C(=O)c1ccc(cc1)N2CCOCC2,"InChI=1/C12H12F3NO2/c13-12(14,15)11(17)9-1-3-10(4-2-9)16-5-7-18-8-6-16/h1-4H,5-8H2",C12H12F3NO2,,,,,,URGBINWKAZEYOF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.920,275-835-9,71676-04-5,"4-amino-N-(2,5-dichloropentyl)-5-(ethylsulphonyl)-2-methoxybenzamide","4-amino-N-(2,5-dichloropentyl)-5-(ethylsulfonyl)-2-methoxybenzamide",CCS(=O)(=O)c1cc(C(=O)NCC(Cl)CCCCl)c(OC)cc1N,CCS(=O)(=O)c1cc(C(=O)NCC(Cl)CCCCl)c(OC)cc1N,"InChI=1/C15H22Cl2N2O4S/c1-3-24(21,22)14-7-11(13(23-2)8-12(14)18)15(20)19-9-10(17)5-4-6-16/h7-8,10H,3-6,9,18H2,1-2H3,(H,19,20)",C15H22Cl2N2O4S,,,,,,PFXOJRCOFMOPTK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.926,275-842-7,71686-00-5,"Sodium 2-oxobutyrate, monosodium salt",-,[Na+].[Na+].CCC(=O)C(=O)[O-],[Na+].[Na+].CCC(=O)C(=O)[O-],"InChI=1/C4H6O3.2Na/c1-2-3(5)4(6)7;;/h2H2,1H3,(H,6,7);;/q;2*+1/p-1",C4H5O3.Na.Na,,,,,,JBMLLDIVHGRCJI-UHFFFAOYSA-M,,,,,,,,,,,
100.068.940,275-857-9,71701-01-4,Bismuth(3+) 2-naphtholate,bismuth(3+) trinaphthalen-2-olate,[BiH3+3].[O-]c1ccc2ccccc2c1.[O-]c3ccc4ccccc4c3.[O-]c5ccc6ccccc6c5,[BiH3+3].[O-]c1ccc2ccccc2c1.[O-]c3ccc4ccccc4c3.[O-]c5ccc6ccccc6c5,"InChI=1/3C10H8O.Bi.3H/c3*11-10-6-5-8-3-1-2-4-9(8)7-10;;;;/h3*1-7,11H;;;;/q;;;+3;;;/p-3/r3C10H8O.BiH3/c3*11-10-6-5-8-3-1-2-4-9(8)7-10;/h3*1-7,11H;1H3/q;;;+3/p-3",C10H8O.1/3Bi,,,,,,JMZZAVNBIHIOMO-UHFFFAOYSA-K,,,,,,,,,,,
100.062.215,268-457-0,68092-44-4,"Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-4,5-dihydro-2-undecyl-1H-imidazolium chloride",-,[Na+].[Na+].[Cl-].CCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,[Na+].[Na+].[Cl-].CCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,"InChI=1/C20H36N2O5.ClH.2Na/c1-2-3-4-5-6-7-8-9-10-11-18-21-12-13-22(18,16-19(23)24)14-15-27-17-20(25)26;;;/h2-17H2,1H3,(H-,23,24,25,26);1H;;/q;;2*+1",C20H37N2O5.Cl.2Na,,,,,,LPIXUSNUAMQYFN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.217,268-459-1,68092-46-6,Zinc m-toluate,zinc bis(3-methylbenzoate),[Zn+2].Cc1cccc(c1)C(=O)[O-].Cc2cccc(c2)C(=O)[O-],[Zn+2].Cc1cccc(c1)C(=O)[O-].Cc2cccc(c2)C(=O)[O-],"InChI=1/2C8H8O2.Zn/c2*1-6-3-2-4-7(5-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Zn,,,,,,FVAFBVXHPTZJFY-UHFFFAOYSA-L,,,,,,,,,,,
100.062.218,268-460-7,68092-47-7,Barium m-toluate,barium bis(3-methylbenzoate),[Ba+2].Cc1cccc(c1)C(=O)[O-].Cc2cccc(c2)C(=O)[O-],[Ba+2].Cc1cccc(c1)C(=O)[O-].Cc2cccc(c2)C(=O)[O-],"InChI=1/2C8H8O2.Ba/c2*1-6-3-2-4-7(5-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Ba,,,,,,HTZMRMLUWYGQFB-UHFFFAOYSA-L,,,,,,,,,,,
100.090.284,299-360-1,93859-23-5,Sodium 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazole-5-sulphonate,"sodium 2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-benzoxazole-5-sulfonate",[Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(cc4n3)S(=O)(=O)[O-],[Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(cc4n3)S(=O)(=O)[O-],"InChI=1/C20H18N2O6S.Na/c1-3-22(4-2)13-6-5-12-9-15(20(23)28-18(12)10-13)19-21-16-11-14(29(24,25)26)7-8-17(16)27-19;/h5-11H,3-4H2,1-2H3,(H,24,25,26);/q;+1/p-1",C20H18N2O6S.Na,,,,,,CMJSVQPRGPDZEC-UHFFFAOYSA-M,,,,,,,,,,,
100.090.292,299-369-0,93859-31-5,Disodium 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazoledisulphonate,"disodium 2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-2,3-dihydro-1,3-benzoxazole-2,4-disulfonate",[Na+].[Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C3(Nc4c(O3)cccc4S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C3(Nc4c(O3)cccc4S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H20N2O9S2.2Na/c1-3-22(4-2)13-9-8-12-10-14(19(23)30-16(12)11-13)20(33(27,28)29)21-18-15(31-20)6-5-7-17(18)32(24,25)26;;/h5-11,21H,3-4H2,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H18N2O9S2.2Na,,,,,,DAVZKFHZEZNCPI-UHFFFAOYSA-L,,,,,,,,,,,
100.090.293,299-370-6,93859-32-6,Sodium 5-(aminosulphonyl)-2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazolesulphonate,"sodium 2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-5-sulfamoyl-2,3-dihydro-1,3-benzoxazole-2-sulfonate",[Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C3(Nc4cc(ccc4O3)S(=O)(=O)N)S(=O)(=O)[O-],[Na+].CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C3(Nc4cc(ccc4O3)S(=O)(=O)N)S(=O)(=O)[O-],"InChI=1/C20H21N3O8S2.Na/c1-3-23(4-2)13-6-5-12-9-15(19(24)30-18(12)10-13)20(33(27,28)29)22-16-11-14(32(21,25)26)7-8-17(16)31-20;/h5-11,22H,3-4H2,1-2H3,(H2,21,25,26)(H,27,28,29);/q;+1/p-1",C20H19N3O8S2.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17379,https://echa.europa.eu/substance-information/-/substanceinfo/100.090.293,YYMUVSVWZRFULJ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.296,299-373-2,93859-36-0,"2,2-bis(ethoxymethyl)butan-1-ol","2,2-bis(ethoxymethyl)butan-1-ol",CCOCC(CC)(CO)COCC,CCOCC(CC)(CO)COCC,"InChI=1/C10H22O3/c1-4-10(7-11,8-12-5-2)9-13-6-3/h11H,4-9H2,1-3H3",C10H22O3,,,,,,OJJGNIICITWWPL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.297,299-374-8,93859-37-1,4-[(4-aminophenyl)methyl]-2-isopropyl-6-propylaniline,4-(4-aminobenzyl)-2-isopropyl-6-propylaniline,CCCc1cc(Cc2ccc(N)cc2)cc(C(C)C)c1N,CCCc1cc(Cc2ccc(N)cc2)cc(C(C)C)c1N,"InChI=1/C19H26N2/c1-4-5-16-11-15(12-18(13(2)3)19(16)21)10-14-6-8-17(20)9-7-14/h6-9,11-13H,4-5,10,20-21H2,1-3H3",C19H26N2,,,,,,IAZGYMXXLFYKOE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.298,299-375-3,93859-38-2,"4-[(2-aminophenyl)methyl]-2,6-diisopropylaniline","4-(2-aminobenzyl)-2,6-diisopropylaniline",CC(C)c1cc(Cc2ccccc2N)cc(C(C)C)c1N,CC(C)c1cc(Cc2ccccc2N)cc(C(C)C)c1N,"InChI=1/C19H26N2/c1-12(2)16-10-14(11-17(13(3)4)19(16)21)9-15-7-5-6-8-18(15)20/h5-8,10-13H,9,20-21H2,1-4H3",C19H26N2,,,,,,NJYVLDXNVZXOJY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.300,299-377-4,93859-40-6,"2-[(4-amino-3,5-diethylphenyl)methyl]-4-[(4-aminophenyl)methyl]aniline","4-[2-amino-5-(4-aminobenzyl)benzyl]-2,6-diethylaniline",CCc1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)cc(CC)c1N,CCc1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)cc(CC)c1N,"InChI=1/C24H29N3/c1-3-19-13-18(14-20(4-2)24(19)27)15-21-12-17(7-10-23(21)26)11-16-5-8-22(25)9-6-16/h5-10,12-14H,3-4,11,15,25-27H2,1-2H3",C24H29N3,,,,,,OBHZIYINRONOGB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.303,299-381-6,93859-43-9,"4-[(4-amino-m-tolyl)methyl]-2,6-diisopropylaniline","4-(4-amino-3-methylbenzyl)-2,6-diisopropylaniline",CC(C)c1cc(Cc2ccc(N)c(C)c2)cc(C(C)C)c1N,CC(C)c1cc(Cc2ccc(N)c(C)c2)cc(C(C)C)c1N,"InChI=1/C20H28N2/c1-12(2)17-10-16(11-18(13(3)4)20(17)22)9-15-6-7-19(21)14(5)8-15/h6-8,10-13H,9,21-22H2,1-5H3",C20H28N2,,,,,,DTXLOWXPXZWHMR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.306,299-384-2,93859-46-2,2-[(4-aminophenyl)methyl]-6-isopropylaniline,2-(4-aminobenzyl)-6-isopropylaniline,CC(C)c1cccc(Cc2ccc(N)cc2)c1N,CC(C)c1cccc(Cc2ccc(N)cc2)c1N,"InChI=1/C16H20N2/c1-11(2)15-5-3-4-13(16(15)18)10-12-6-8-14(17)9-7-12/h3-9,11H,10,17-18H2,1-2H3",C16H20N2,,,,,,YBTTVZHASQQHTR-UHFFFAOYSA-N,,,,,,,,,,,
100.092.935,302-275-5,94107-41-2,N-(2-bromo-3-methylbutyryl)-3-phenyl-DL-alanine,N-(2-bromo-3-methylbutanoyl)-L-phenylalanine,CC(C)C(Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,CC(C)C(Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C14H18BrNO3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,16,17)(H,18,19)",C14H18BrNO3,,,,,,RGIHFSFFOHEHAX-PXYINDEMSA-N,,,,,,,,,,,
100.092.940,302-280-2,94107-46-7,(Z)-1-(octadec-9-enylamino)propan-2-ol,1-(octadec-9-en-1-ylamino)propan-2-ol,CCCCCCCC\\C=C/CCCCCCCCNCC(C)O,CCCCCCCC\C=C/CCCCCCCCNCC(C)O,"InChI=1/C21H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21(2)23/h10-11,21-23H,3-9,12-20H2,1-2H3",C21H43NO,,,,,,JDAFEOLQWJYXFH-KHPPLWFESA-N,,,,,,,,,,,
100.067.389,274-151-8,69847-39-8,"Phthalic acid, compound with N,N-diethylaniline (1:1)","phthalic acid - N,N-diethylaniline (1:1)",CCN(CC)c1ccccc1.OC(=O)c2ccccc2C(=O)O,CCN(CC)c1ccccc1.OC(=O)c2ccccc2C(=O)O,"InChI=1/C10H15N.C8H6O4/c1-3-11(4-2)10-8-6-5-7-9-10;9-7(10)5-3-1-2-4-6(5)8(11)12/h5-9H,3-4H2,1-2H3;1-4H,(H,9,10)(H,11,12)",C10H15N.C8H6O4,,,,,,RJILSGJGSRJKDS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.392,274-154-4,69847-52-5,Sodium 3-[[4-acetamidophenyl]azo]-4-amino-5-hydroxynaphthalene-1-sulphonate,sodium 3-[(4-acetamidophenyl)diazenyl]-4-amino-5-hydroxynaphthalene-1-sulfonate,[Na+].CC(=O)Nc1ccc(cc1)N=Nc2cc(c3cccc(O)c3c2N)S([O-])(=O)=O,[Na+].CC(=O)Nc1ccc(cc1)N=Nc2cc(c3cccc(O)c3c2N)S([O-])(=O)=O,"InChI=1/C18H16N4O5S.Na/c1-10(23)20-11-5-7-12(8-6-11)21-22-14-9-16(28(25,26)27)13-3-2-4-15(24)17(13)18(14)19;/h2-9,24H,19H2,1H3,(H,20,23)(H,25,26,27);/q;+1/p-1",C18H16N4O5S.Na,,,,,,UGMILUCNPDSVEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.067.398,274-161-2,69856-00-4,[1-(allyloxy)-1-methylethyl]benzene,[1-(allyloxy)-1-methylethyl]benzene,CC(C)(OCC=C)c1ccccc1,CC(C)(OCC=C)c1ccccc1,"InChI=1/C12H16O/c1-4-10-13-12(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3",C12H16O,,,,,,AZHRVNVMEODXMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.403,274-167-5,69868-05-9,2-ethylnonadecan-1-oic acid,2-ethylnonadecanoic acid,CCCCCCCCCCCCCCCCCC(CC)C(=O)O,CCCCCCCCCCCCCCCCCC(CC)C(=O)O,"InChI=1/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)21(22)23/h20H,3-19H2,1-2H3,(H,22,23)",C21H42O2,,,,,,SEVBTWRNJDEVHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.409,274-173-8,69868-14-0,"Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1H-imidazolium hydroxide",-,[OH-].[Na+].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,[OH-].[Na+].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,"InChI=1/C26H48N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-18-19-28(24,22-25(29)30)20-21-33-23-26(31)32;;;/h2-23H2,1H3,(H-,29,30,31,32);;;1H2/q;2*+1;",C26H49N2O5.HO.2Na,,,,,,SYSWOKMPGBUPOD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.145,276-082-9,71849-98-4,"Phenyl 2,6-dichlorobenzoate","phenyl 2,6-dichlorobenzoate",Clc1cccc(Cl)c1C(=O)Oc2ccccc2,Clc1cccc(Cl)c1C(=O)Oc2ccccc2,InChI=1/C13H8Cl2O2/c14-10-7-4-8-11(15)12(10)13(16)17-9-5-2-1-3-6-9/h1-8H,C13H8Cl2O2,,,,,,ZNPIVESKOKHXQF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.149,276-087-6,71850-04-9,ß-methylpiperazine-1-ethanol,2-piperazin-1-ylpropan-1-ol,CC(CO)N1CCNCC1,CC(CO)N1CCNCC1,"InChI=1/C7H16N2O/c1-7(6-10)9-4-2-8-3-5-9/h7-8,10H,2-6H2,1H3",C7H16N2O,,,,,,STSAIUCZKQGPNG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.173,276-113-6,71873-03-5,Sodium 1-(2-butoxyethyl) (sulphonatooxy)octadec-9-enoate,sodium 1-[(2-butoxyethoxy)carbonyl]heptadec-8-en-1-yl sulfate,[Na+].CCCCOCCOC(=O)C(CCCCCCC=CCCCCCCCC)OS([O-])(=O)=O,[Na+].CCCCOCCOC(=O)C(CCCCCCC=CCCCCCCCC)OS([O-])(=O)=O,"InChI=1/C24H46O7S.Na/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31-32(26,27)28)24(25)30-22-21-29-20-6-4-2;/h12-13,23H,3-11,14-22H2,1-2H3,(H,26,27,28);/q;+1/p-1",C24H46O7S.Na,,,,,,FNXYEWQMNFKHCS-UHFFFAOYSA-M,,,,,,,,,,,
100.069.178,276-118-3,71873-42-2,"Sodium 4-[4-[[4-[benzyl(p-tolylsulphonyl)amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate","sodium 4-{4-[(4-{benzyl[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2,5-dichlorobenzenesulfonate",[Na+].Cc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)c3ccc(cc3)N=NC5C(\\C)=N/N(c4cc(Cl)c(cc4Cl)S([O-])(=O)=O)C5=O,[Na+].Cc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)c3ccc(cc3)N=NC5C(\C)=N/N(c4cc(Cl)c(cc4Cl)S([O-])(=O)=O)C5=O,"InChI=1/C30H25Cl2N5O6S2.Na/c1-19-8-14-24(15-9-19)44(39,40)36(18-21-6-4-3-5-7-21)23-12-10-22(11-13-23)33-34-29-20(2)35-37(30(29)38)27-16-26(32)28(17-25(27)31)45(41,42)43;/h3-17,29H,18H2,1-2H3,(H,41,42,43);/q;+1/p-1",C30H25Cl2N5O6S2.Na,,,,,,TYIFQPRWCFZMKE-UHFFFAOYSA-M,,,,,,,,,,,
100.069.594,276-576-4,72308-52-2,"2,6-diamino-1,7-dihydro-8H-purin-8-one","2,6-diamino-1,7-dihydro-8H-purin-8-one",NC1=NC2=NC(=O)NC2=C(N)N1,NC1=NC2=NC(=O)NC2=C(N)N1,"InChI=1/C5H6N6O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H6,6,7,8,9,10,11,12)",C5H6N6O,,,,,,LREVGBUCKQNOFO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.609,276-593-7,72352-82-0,Methyl hexyldithiocarbamate,methyl hexyldithiocarbamate,CCCCCCNC(=S)SC,CCCCCCNC(=S)SC,"InChI=1/C8H17NS2/c1-3-4-5-6-7-9-8(10)11-2/h3-7H2,1-2H3,(H,9,10)",C8H17NS2,,,,,,MEWRCLWSTWTYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.304,272-956-9,68921-74-4,Sodium 5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetate,"sodium {5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetate",[Na+].CCN2CCSC2=CC=C1SC(=S)N(CC([O-])=O)C1=O,[Na+].CCN2CCSC2=CC=C1SC(=S)N(CC([O-])=O)C1=O,"InChI=1/C12H14N2O3S3.Na/c1-2-13-5-6-19-9(13)4-3-8-11(17)14(7-10(15)16)12(18)20-8;/h3-4H,2,5-7H2,1H3,(H,15,16);/q;+1/p-1",C12H14N2O3S3.Na,,,,,,PPAGKUVTNPRNDA-UHFFFAOYSA-M,,,,,,,,,,,
100.066.311,272-964-2,68921-83-5,Dimethyl[3-[(1-oxooctadecyl)amino]propyl][2-oxo-2-(tetradecyloxy)ethyl]ammonium chloride,"N,N-dimethyl-N-[2-oxo-2-(tetradecyloxy)ethyl]-3-(stearoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC,"InChI=1/C39H78N2O3.ClH/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-33-38(42)40-34-32-35-41(3,4)37-39(43)44-36-31-29-27-25-23-18-16-14-12-10-8-6-2;/h5-37H2,1-4H3;1H",C39H79N2O3.Cl,,,,,,DKJLEUVQMKPSHB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.829,271-333-9,68541-01-5,"Potassium 2,3,4,5-tetrachloro-6-[[[3-[[(pentadecafluoroheptyl)sulphonyl]oxy]phenyl]amino]carbonyl]benzoate","potassium 2,3,4,5-tetrachloro-6-[(3-{[(pentadecafluoroheptyl)sulfonyl]oxy}phenyl)carbamoyl]benzoate",[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,"InChI=1/C21H6Cl4F15NO6S.K/c22-9-7(8(14(43)44)10(23)12(25)11(9)24)13(42)41-5-2-1-3-6(4-5)47-48(45,46)21(39,40)19(34,35)17(30,31)15(26,27)16(28,29)18(32,33)20(36,37)38;/h1-4H,(H,41,42)(H,43,44);/q;+1/p-1",C21H6Cl4F15NO6S.K,,,,,,NIQGEMTXVGOSBT-UHFFFAOYSA-M,,,,,,,,,,,
100.062.703,268-994-0,68155-94-2,"Bis(2-ethylhexyl) hydrogen phosphate, compound with (Z)-octadec-9-en-1-amine (1:1)",bis(2-ethylhexyl) hydrogen phosphate - octadec-9-en-1-amine (1:1),CCCCCCCC\\C=C/CCCCCCCCN.CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,CCCCCCCC\C=C/CCCCCCCCN.CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,"InChI=1/C18H37N.C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h9-10H,2-8,11-19H2,1H3;15-16H,5-14H2,1-4H3,(H,17,18)",C18H37N.C16H35O4P,,,,,,IXJZJRRYKPCXHG-KVVVOXFISA-N,,,,,,,,,,,
100.062.706,268-997-7,68156-00-3,Nonafluorobis(trifluoromethyl)cyclohexanesulphonyl fluoride,"1,2,2,3,3,4,4,5,5-nonafluoro-6,6-bis(trifluoromethyl)cyclohexanesulfonyl fluoride",FC(F)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)S(=O)(=O)F,FC(F)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)S(=O)(=O)F,"InChI=1/C8F16O2S/c9-2(10)1(7(18,19)20,8(21,22)23)6(17,27(24,25)26)5(15,16)4(13,14)3(2,11)12",C8F16O2S,,,,,,CXVUGILROSQTJW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.710,269-001-3,68156-06-9,Decafluoro(pentafluoroethyl)cyclohexanesulphonyl fluoride,"1,2,2,3,3,4,4,5,5,6-decafluoro-6-(pentafluoroethyl)cyclohexanesulfonyl fluoride",FC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)S(=O)(=O)F,FC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)S(=O)(=O)F,"InChI=1/C8F16O2S/c9-1(3(12,13)8(21,22)23)2(10,11)4(14,15)5(16,17)6(18,19)7(1,20)27(24,25)26",C8F16O2S,,,,,,AETAZWKHJUBBOA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.719,269-011-8,68162-50-5,2-hydroxyethyl gallate,"2-hydroxyethyl 3,4,5-trihydroxybenzoate",OCCOC(=O)c1cc(O)c(O)c(O)c1,OCCOC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C9H10O6/c10-1-2-15-9(14)5-3-6(11)8(13)7(12)4-5/h3-4,10-13H,1-2H2",C9H10O6,,,,,,NNCBVVNCQYNPPB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.720,269-012-3,68165-40-2,"2,4,6-triisobutyl-1,3,5-trioxane","2,4,6-triisobutyl-1,3,5-trioxane",CC(C)CC1OC(CC(C)C)OC(CC(C)C)O1,CC(C)CC1OC(CC(C)C)OC(CC(C)C)O1,"InChI=1/C15H30O3/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-15H,7-9H2,1-6H3",C15H30O3,,,,,,SBVHSWJZXOYLFE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.734,269-028-0,68171-51-7,Bis(2-hydroxyethyl)ammonium (Z)-hexadec-9-enoate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium hexadec-9-enoate,CCCCCC\\C=C/CCCCCCCC(=O)[O-].OCC[NH2+]CCO,CCCCCC\C=C/CCCCCCCC(=O)[O-].OCC[NH2+]CCO,"InChI=1/C16H30O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;6-3-1-5-2-4-7/h7-8H,2-6,9-15H2,1H3,(H,17,18);5-7H,1-4H2",C16H30O2.C4H11NO2,,,,,,WMTVNSRGDKFVBA-CFYXSCKTSA-N,,,,,,,,,,,
100.062.737,269-031-7,68171-55-1,2-methyl-3-(2-methylpropoxy)pyrazine,2-isobutoxy-3-methylpyrazine,CC(C)COc1nccnc1C,CC(C)COc1nccnc1C,"InChI=1/C9H14N2O/c1-7(2)6-12-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3",C9H14N2O,,,,,,IFMWCMUHPVMQDW-UHFFFAOYSA-N,,,,,,,,,,,
100.064.834,271-339-1,68541-06-0,"3-ethyl 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-4-[3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)prop-1-enyl]-1H-pyrazole-3-carboxylate","4-{4-[3-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl]-3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1ccc(cc1)N3/N=C(\\C(C=C\\C=C2/C(=O)N(C)C(=O)N(C)C2=O)C3=O)C(=O)OCC,OS(=O)(=O)c1ccc(cc1)N3/N=C(\C(C=C\C=C2/C(=O)N(C)C(=O)N(C)C2=O)C3=O)C(=O)OCC,"InChI=1/C21H20N4O9S/c1-4-34-20(29)16-14(6-5-7-15-17(26)23(2)21(30)24(3)18(15)27)19(28)25(22-16)12-8-10-13(11-9-12)35(31,32)33/h5-11,14H,4H2,1-3H3,(H,31,32,33)",C21H20N4O9S,,,,,,LPWLXKNBOCPXEE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.836,271-341-2,68541-10-6,Dipotassium isobutyl phosphate,dipotassium isobutyl phosphate,[K+].[K+].CC(C)COP(=O)([O-])[O-],[K+].[K+].CC(C)COP(=O)([O-])[O-],"InChI=1/C4H11O4P.2K/c1-4(2)3-8-9(5,6)7;;/h4H,3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2",C4H11O4P.2K,,,,,,QQVPGMKUULHCHN-UHFFFAOYSA-L,,,,,,,,,,,
100.064.847,271-353-8,68541-73-1,4-(phenylamino)benzenediazonium hexafluorophosphate,4-anilinobenzenediazonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.N#[N+]c1ccc(Nc2ccccc2)cc1,F[P-](F)(F)(F)(F)F.N#[N+]c1ccc(Nc2ccccc2)cc1,"InChI=1/C12H10N3.F6P/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-7(2,3,4,5)6/h1-9,14H;/q+1;-1",C12H10N3.F6P,,,,,,GMCYTOBVFHVRMM-UHFFFAOYSA-N,,,,,,,,,,,
100.064.862,271-370-0,68551-20-2,"Alkanes, C13-16-iso-",2-methyltetradecane,CCCCCCCCCCCCC(C)C,CCCCCCCCCCCCC(C)C,"InChI=1/C15H32/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h15H,4-14H2,1-3H3",-,,,,,,KUVMKLCGXIYSNH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.222,268-464-9,68092-52-4,"Disodium 5-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate","disodium 5-({4'-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c(C)c5,"InChI=1/C31H25N5O7S.2Na/c1-16-11-18(4-8-25(16)34-33-22-7-10-27(37)24(15-22)31(39)40)19-5-9-26(17(2)12-19)35-36-29-28(44(41,42)43)13-20-3-6-21(32)14-23(20)30(29)38;;/h3-15,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43);;/q;2*+1/p-2",C31H25N5O7S.2Na,,,,,,DFXHTVFWBQQHQC-UHFFFAOYSA-L,,,,,,,,,,,
100.062.243,268-487-4,68109-74-0,"O-acetyl-N-[3-(acryloylamino)-1,3-dimethylbutyl]hydroxylamine","N-[3-(acetoxyamino)-1,1-dimethylbutyl]acrylamide",CC(CC(C)(C)NC(=O)C=C)NOC(=O)C,CC(CC(C)(C)NC(=O)C=C)NOC(=O)C,"InChI=1/C11H20N2O3/c1-6-10(15)12-11(4,5)7-8(2)13-16-9(3)14/h6,8,13H,1,7H2,2-5H3,(H,12,15)",C11H18N2O3,,,,,,SEOPHOKLLMIZRR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.088,274-920-8,70833-47-5,"2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid","2-{[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1-sulfonic acid",OS(=O)(=O)c3c4ccccc4ccc3N=NC2C(\\C)=N/N(c1c(Cl)cccc1C)C2=O,OS(=O)(=O)c3c4ccccc4ccc3N=NC2C(\C)=N/N(c1c(Cl)cccc1C)C2=O,"InChI=1/C21H17ClN4O4S/c1-12-6-5-9-16(22)19(12)26-21(27)18(13(2)25-26)24-23-17-11-10-14-7-3-4-8-15(14)20(17)31(28,29)30/h3-11,18H,1-2H3,(H,28,29,30)",C21H17ClN4O4S,,,,,,KGIUUGAGFHWHRX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.089,274-921-3,70833-54-4,"Tetrasodium 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 2-{[8-({4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cccc5c6ccc(N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4Nc3nc(F)nc(Nc2ccc(Cl)cc2)n3)S([O-])(=O)=O)c5S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cccc5c6ccc(N=Nc1c(O)c4c(cc1S([O-])(=O)=O)cc(cc4Nc3nc(F)nc(Nc2ccc(Cl)cc2)n3)S([O-])(=O)=O)c5S([O-])(=O)=O,"InChI=1/C29H19ClFN7O13S4.4Na/c30-14-4-6-15(7-5-14)32-28-34-27(31)35-29(36-28)33-20-12-16(52(40,41)42)10-13-11-22(54(46,47)48)24(25(39)23(13)20)38-37-19-9-8-17-18(26(19)55(49,50)51)2-1-3-21(17)53(43,44)45;;;;/h1-12,39H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,32,33,34,35,36);;;;/q;4*+1/p-4",C29H19ClFN7O13S4.4Na,,,,,,UTIYORRFGQOXTE-UHFFFAOYSA-J,,,,,,,,,,,
100.068.104,274-938-6,70851-52-4,Chlorodimethyltriacontylsilane,chloro(dimethyl)triacontylsilane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](C)(C)Cl,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](C)(C)Cl,"InChI=1/C32H67ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34(2,3)33/h4-32H2,1-3H3",C32H67ClSi,,,,,,QAADEYIJKBTPIG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.113,274-948-0,70862-65-6,"1,3-didecyl-2-methyl-1H-imidazolium chloride","1,3-didecyl-2-methyl-2,3-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCCCCCCCN1C=C[NH+](CCCCCCCCCC)C1C,[Cl-].CCCCCCCCCCN1C=C[NH+](CCCCCCCCCC)C1C,"InChI=1/C24H48N2.ClH/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2;/h22-24H,4-21H2,1-3H3;1H",C24H47N2.Cl,,,,,,RBECMLCVZODGDF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.974,275-895-6,71720-46-2,4-(3-nitrophenyl)-6-phenyl-2-(p-tolyl)pyridine,2-(4-methylphenyl)-4-(3-nitrophenyl)-6-phenylpyridine,Cc1ccc(cc1)c2cc(cc(n2)c3ccccc3)c4cccc(c4)[N+](=O)[O-],Cc1ccc(cc1)c2cc(cc(n2)c3ccccc3)c4cccc(c4)[N+](=O)[O-],"InChI=1/C24H18N2O2/c1-17-10-12-19(13-11-17)24-16-21(20-8-5-9-22(14-20)26(27)28)15-23(25-24)18-6-3-2-4-7-18/h2-16H,1H3",C24H18N2O2,,,,,,YPYPJMXGXMZAHI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.975,275-896-1,71720-47-3,7-hydroxy-N-methylnaphthalene-1-sulphonamide,7-hydroxy-N-methylnaphthalene-1-sulfonamide,CNS(=O)(=O)c1cccc2ccc(O)cc12,CNS(=O)(=O)c1cccc2ccc(O)cc12,"InChI=1/C11H11NO3S/c1-12-16(14,15)11-4-2-3-8-5-6-9(13)7-10(8)11/h2-7,12-13H,1H3",C11H11NO3S,,,,,,CIHWKPVSQYHCOX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.976,275-897-7,71720-48-4,"Ethyl hydrogen sulphate, nickel(2+) salt",-,[Ni+2].CCOS(=O)(=O)O,[Ni+2].CCOS(=O)(=O)O,"InChI=1/C2H6O4S.Ni/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2",C2H6O4S.1/2Ni,,,,,,ITSRZPFLBKZFHV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.977,275-898-2,71720-49-5,2-methoxy-4-nitroanilinium chloride,2-methoxy-4-nitroanilinium chloride,[Cl-].COc1cc(ccc1[NH3+])[N+](=O)[O-],[Cl-].COc1cc(ccc1[NH3+])[N+](=O)[O-],"InChI=1/C7H8N2O3.ClH/c1-12-7-4-5(9(10)11)2-3-6(7)8;/h2-4H,8H2,1H3;1H",C7H8N2O3.ClH,,,,,,FHZJVAOAPCEUAV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.984,275-905-9,71720-57-5,[2-(2-benzylphenoxy)ethyl]dimethylammonium dihydrogen citrate hydrochloride,"2-(2-benzylphenoxy)-N,N-dimethylethanaminium 3,4-dicarboxy-3-hydroxybutanoate hydrochloride",Cl.C[NH+](C)CCOc1ccccc1Cc2ccccc2.OC(=O)CC(O)(CC(=O)[O-])C(=O)O,Cl.C[NH+](C)CCOc1ccccc1Cc2ccccc2.OC(=O)CC(O)(CC(=O)[O-])C(=O)O,"InChI=1/C17H21NO.C6H8O7.ClH/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10;/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H",C17H21NO.C6H8O7.xClH,,,,,,IDHSJDMEPAXBNG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.988,275-910-6,71720-61-1,[2-(diphenylmethoxy)ethyl]dimethylammonium methyl sulphate,"2-(diphenylmethoxy)-N,N-dimethylethanaminium methyl sulfate",COS(=O)(=O)[O-].C[NH+](C)CCOC(c1ccccc1)c2ccccc2,COS(=O)(=O)[O-].C[NH+](C)CCOC(c1ccccc1)c2ccccc2,"InChI=1/C17H21NO.CH4O4S/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-5-6(2,3)4/h3-12,17H,13-14H2,1-2H3;1H3,(H,2,3,4)",C17H21NO.CH4O4S,,,,,,IAEUDFPHDMPZNA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.083,298-038-8,93777-10-7,"2-Naphthalenesulfonic acid, 6-[(2,4-diamino-5-sulfophenyl)azo]-4-hydroxy-3-[[4-[[4-[[1-hydroxy-7-[[4-hydroxy-2-[(2-methylphenyl)amino]phenyl]azo]-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-, tetrasodium salt","tetrasodium 6-[(2,4-diamino-5-sulfonatophenyl)diazenyl]-4-hydroxy-3-({4-[(4-{[1-hydroxy-7-({4-hydroxy-2-[(2-methylphenyl)amino]phenyl}diazenyl)-3-sulfonato-2-naphthyl]diazenyl}phenyl)amino]-3-sulfonatophenyl}diazenyl)naphthalene-2-sulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9cc(N=Nc7ccc8cc(c(N=Nc6ccc(Nc1ccc(cc1)N=Nc2c(O)c3cc(ccc3cc2S([O-])(=O)=O)N=Nc5ccc(O)cc5Nc4ccccc4C)c(c6)S([O-])(=O)=O)c(O)c8c7)S([O-])(=O)=O)c(N)cc9N,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9cc(N=Nc7ccc8cc(c(N=Nc6ccc(Nc1ccc(cc1)N=Nc2c(O)c3cc(ccc3cc2S([O-])(=O)=O)N=Nc5ccc(O)cc5Nc4ccccc4C)c(c6)S([O-])(=O)=O)c(O)c8c7)S([O-])(=O)=O)c(N)cc9N,"InChI=1/C51H40N12O15S4.4Na/c1-26-4-2-3-5-39(26)55-43-23-34(64)15-17-40(43)60-57-31-8-6-27-18-46(81(73,74)75)48(50(65)35(27)20-31)62-56-30-12-10-29(11-13-30)54-41-16-14-33(22-45(41)80(70,71)72)59-63-49-47(82(76,77)78)19-28-7-9-32(21-36(28)51(49)66)58-61-42-25-44(79(67,68)69)38(53)24-37(42)52;;;;/h2-25,54-55,64-66H,52-53H2,1H3,(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78);;;;/q;4*+1/p-4",C51H40N12O15S4.4Na,,,,,,BTKTWJIURDIYJZ-UHFFFAOYSA-J,,,,,,,,,,,
100.089.085,298-040-9,93777-12-9,"(2-carboxylatoethyl)[3-[[2-hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecyl]amino]propyl]dimethylammonium","3-[(3-{[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl]amino}propyl)(dimethyl)ammonio]propanoate",C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CCC(=O)[O-],C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CCC(=O)[O-],"InChI=1/C22H23F23N2O3/c1-47(2,7-4-11(49)50)6-3-5-46-9-10(48)8-12(23,24)14(26,27)16(30,31)18(34,35)20(38,39)19(36,37)17(32,33)15(28,29)13(25,21(40,41)42)22(43,44)45/h10,46,48H,3-9H2,1-2H3",C22H23F23N2O3,,,,,,STUDPFBKDMTGFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.086,298-041-4,93777-13-0,"Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl] phosphate","ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl) phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C32H9F58O4P.H3N/c33-5(34,7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)25(73,74)27(77,78)29(81,82)31(85,86)87)1-3-93-95(91,92)94-4-2-6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(71,72)26(75,76)28(79,80)30(83,84)32(88,89)90;/h1-4H2,(H,91,92);1H3",C32H9F58O4P.H3N,,,,,,YVHYEVBMNZJWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.094,298-050-3,93777-21-0,"Dodecyl [4-(1,3-dioxobutyl)phenoxy]acetate",dodecyl (4-acetoacetylphenoxy)acetate,CCCCCCCCCCCCOC(=O)COc1ccc(cc1)C(=O)CC(=O)C,CCCCCCCCCCCCOC(=O)COc1ccc(cc1)C(=O)CC(=O)C,"InChI=1/C24H36O5/c1-3-4-5-6-7-8-9-10-11-12-17-28-24(27)19-29-22-15-13-21(14-16-22)23(26)18-20(2)25/h13-16H,3-12,17-19H2,1-2H3",C24H36O5,,,,,,AKATWDMRLRLIRX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.103,298-060-8,93777-30-1,"N-(5-amino-2,4-dimethylphenyl)benzamide monohydrochloride","N-(5-amino-2,4-dimethylphenyl)benzamide hydrochloride",Cl.Cc1cc(C)c(NC(=O)c2ccccc2)cc1N,Cl.Cc1cc(C)c(NC(=O)c2ccccc2)cc1N,"InChI=1/C15H16N2O.ClH/c1-10-8-11(2)14(9-13(10)16)17-15(18)12-6-4-3-5-7-12;/h3-9H,16H2,1-2H3,(H,17,18);1H",C15H16N2O.ClH,,,,,,LJHXAOHGOAMGMR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.107,298-065-5,93777-34-5,4'-isopropyl-4-methoxychalcone,1-(4-isopropylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one,COc1ccc(\\C=C\\C(=O)c2ccc(cc2)C(C)C)cc1,COc1ccc(\C=C\C(=O)c2ccc(cc2)C(C)C)cc1,"InChI=1/C19H20O2/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(21-3)12-5-15/h4-14H,1-3H3",C19H20O2,,,,,,DUPLPFCNUBOQMC-AWNIVKPZSA-N,,,,,,,,,,,
100.089.108,298-066-0,93777-35-6,"Octahydro-8-(methoxymethyl)-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene","8-(methoxymethyl)-1,1,5,5-tetramethyloctahydro-2H-2,4a-methanonaphthalene",COCC1CCC(C)(C)C23CCC(C2)C(C)(C)C13,COCC1CCC(C)(C)C23CCC(C2)C(C)(C)C13,"InChI=1/C17H30O/c1-15(2)8-6-12(11-18-5)14-16(3,4)13-7-9-17(14,15)10-13/h12-14H,6-11H2,1-5H3",C17H30O,,,,,,AFMXFPNYAXEBFM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.109,298-067-6,93777-36-7,"1,3,3-trimethylspiro[bicyclo[2.2.1]heptane-2,2'-[2H]pyran]-4'(3'H)-one","1,3,3-trimethylspiro[bicyclo[2.2.1]heptane-2,2'-pyran]-4'(3'H)-one",CC12CCC(C1)C(C)(C)C23CC(=O)C=CO3,CC12CCC(C1)C(C)(C)C23CC(=O)C=CO3,"InChI=1/C14H20O2/c1-12(2)10-4-6-13(3,8-10)14(12)9-11(15)5-7-16-14/h5,7,10H,4,6,8-9H2,1-3H3",C14H20O2,,,,,,NKHUZICKJDIEGB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.111,298-069-7,93777-38-9,"1,3'a,4,4',5,6',7',7'a-octahydro-4-methylspiro[furan-2(3H),5'-[4,7]methano[5H]indene]","4-methyl-1',3a',4,4',5,6',7',7a'-octahydro-3H-spiro[furan-2,5'-[4,7]methanoindene]",CC1COC2(C1)CC3CC2C4C=CCC34,CC1COC2(C1)CC3CC2C4C=CCC34,"InChI=1/C14H20O/c1-9-6-14(15-8-9)7-10-5-13(14)12-4-2-3-11(10)12/h2,4,9-13H,3,5-8H2,1H3",C14H20O,,,,,,FVPHLRMMPMJDSO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.114,298-072-3,93777-41-4,(4-methoxybutylidene)cyclohexane,(4-methoxybutylidene)cyclohexane,COCCCC=C1CCCCC1,COCCCC=C1CCCCC1,"InChI=1/C11H20O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h9H,2-8,10H2,1H3",C11H20O,,,,,,VALMDEDTYYMWAS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.116,298-074-4,93777-43-6,"4,4a,5,6,7,8-hexahydro-4a,5-dimethylnaphthalen-2(3H)-one","4a,5-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",CC1CCCC2=CC(=O)CCC12C,CC1CCCC2=CC(=O)CCC12C,"InChI=1/C12H18O/c1-9-4-3-5-10-8-11(13)6-7-12(9,10)2/h8-9H,3-7H2,1-2H3",C12H18O,,,,,,ISBAIEHOYPJLFM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.117,298-076-5,93777-44-7,"Octahydro-5,5,8a-trimethyl-2H-1-benzopyran-2-one","5,5,8a-trimethyloctahydro-2H-chromen-2-one",CC1(C)CCCC2(C)OC(=O)CCC12,CC1(C)CCCC2(C)OC(=O)CCC12,"InChI=1/C12H20O2/c1-11(2)7-4-8-12(3)9(11)5-6-10(13)14-12/h9H,4-8H2,1-3H3",C12H20O2,,,,,,SHICNVFFVVSNLW-UHFFFAOYSA-N,,,,,,,,,,,
100.066.321,272-975-2,68922-02-1,Ethyl 3-(2-hydroxyphenyl)oxirane-2-carboxylate,ethyl 3-(2-hydroxyphenyl)oxirane-2-carboxylate,CCOC(=O)C1OC1c2ccccc2O,CCOC(=O)C1OC1c2ccccc2O,"InChI=1/C11H12O4/c1-2-14-11(13)10-9(15-10)7-5-3-4-6-8(7)12/h3-6,9-10,12H,2H2,1H3",C11H12O4,,,,,,YHLXQQKBZYAGLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.414,274-179-0,69878-18-8,"2-isocyanatoethyl 2,6-diisocyanatohexanoate","2-isocyanatoethyl N~2~,N~6~-bis(oxomethylene)lysinate",O=C=NCCCCC(N=C=O)C(=O)OCCN=C=O,O=C=NCCCCC(N=C=O)C(=O)OCCN=C=O,"InChI=1/C11H13N3O5/c15-7-12-4-2-1-3-10(14-9-17)11(18)19-6-5-13-8-16/h10H,1-6H2",C11H13N3O5,,,,,,GNDOBZLRZOCGAS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.417,274-182-7,69880-77-9,"Disodium 4,4'-oxybis[decylbenzenesulphonate]","disodium 4,4'-oxybis(2-decylbenzenesulfonate)",[Na+].[Na+].CCCCCCCCCCc1cc(Oc2ccc(c(CCCCCCCCCC)c2)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCc1cc(Oc2ccc(c(CCCCCCCCCC)c2)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-],"InChI=1/C32H50O7S2.2Na/c1-3-5-7-9-11-13-15-17-19-27-25-29(21-23-31(27)40(33,34)35)39-30-22-24-32(41(36,37)38)28(26-30)20-18-16-14-12-10-8-6-4-2;;/h21-26H,3-20H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C32H50O7S2.2Na,,,,,,ITKORIIUQMWLFO-UHFFFAOYSA-L,,,,,,,,,,,
100.067.422,274-187-4,69888-91-1,3-(3-fluoro-4-hydroxyphenyl)propionic acid,3-(3-fluoro-4-hydroxyphenyl)propanoic acid,OC(=O)CCc1ccc(O)c(F)c1,OC(=O)CCc1ccc(O)c(F)c1,"InChI=1/C9H9FO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13)",C9H9FO3,,,,,,RMXXLSLLEBZFBS-UHFFFAOYSA-N,,,,,,,,,,,
100.067.423,274-189-5,69891-92-5,"2-(1,3-dioxan-2-yl)ethyltriphenylphosphonium bromide","[2-(1,3-dioxan-2-yl)ethyl](triphenyl)phosphonium bromide",[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C4OCCCO4,[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C4OCCCO4,"InChI=1/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1",C24H26O2P.Br,,,,,,XETDBHNHTOJWPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.067.440,274-208-7,69898-66-4,"Ethyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylate","ethyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate",CCOC(=O)c1ccc2C(=O)OC(c3ccc(cc3OCC)N(CC)CC)(c2c1)c4c(C)n(CC)c5ccccc45,CCOC(=O)c1ccc2C(=O)OC(c3ccc(cc3OCC)N(CC)CC)(c2c1)c4c(C)n(CC)c5ccccc45,"InChI=1/C34H38N2O5/c1-7-35(8-2)24-17-19-27(30(21-24)39-10-4)34(31-22(6)36(9-3)29-15-13-12-14-26(29)31)28-20-23(32(37)40-11-5)16-18-25(28)33(38)41-34/h12-21H,7-11H2,1-6H3",C34H38N2O5,,,,,,YKKDHRLYLZJUEY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.444,274-212-9,69911-58-6,"4,4'-[phenylenebis(methylene)]bis[1,1-dimethylsemicarbazide]","N,N'-[1,2-phenylenebis(methylene)]bis(2,2-dimethylhydrazinecarboxamide)",CN(C)NC(=O)NCc1ccccc1CNC(=O)NN(C)C,CN(C)NC(=O)NCc1ccccc1CNC(=O)NN(C)C,"InChI=1/C14H24N6O2/c1-19(2)17-13(21)15-9-11-7-5-6-8-12(11)10-16-14(22)18-20(3)4/h5-8H,9-10H2,1-4H3,(H2,15,17,21)(H2,16,18,22)",C14H24N6O2,,,,,,XBHVXGVJAFWDOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.180,276-120-4,71873-44-4,"Trisodium 1-amino-4-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]phenyl]amino]-1,4-dioxobut-2-enyl]amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","trisodium 1-amino-4-[(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]phenyl}amino)-4-oxobut-2-enoyl]amino}-3-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc1ccc(cc1)NC(=O)C=CC(=O)Nc2ccc(cc2S([O-])(=O)=O)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc1ccc(cc1)NC(=O)C=CC(=O)Nc2ccc(cc2S([O-])(=O)=O)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,"InChI=1/C44H30N6O15S3.3Na/c45-39-31(67(60,61)62)18-28(35-37(39)43(55)25-7-3-1-5-23(25)41(35)53)47-20-9-11-21(12-10-20)49-33(51)15-16-34(52)50-27-14-13-22(17-30(27)66(57,58)59)48-29-19-32(68(63,64)65)40(46)38-36(29)42(54)24-6-2-4-8-26(24)44(38)56;;;/h1-19,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;/q;3*+1/p-3",C44H30N6O15S3.3Na,,,,,,TZOKVLUYKXRULK-UHFFFAOYSA-K,,,,,,,,,,,
100.069.186,276-127-2,71873-51-3,"Disodium 2,5-dichloro-4-[4-[[5-[[(dodecyloxy)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 2,5-dichloro-4-{4-[(5-{[(dodecyloxy)carbonyl]amino}-2-sulfonatophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].CCCCCCCCCCCCOC(=O)Nc3cc(N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O,[Na+].[Na+].CCCCCCCCCCCCOC(=O)Nc3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O,"InChI=1/C29H37Cl2N5O9S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-15-45-29(38)32-20-13-14-25(46(39,40)41)23(16-20)33-34-27-19(2)35-36(28(27)37)24-17-22(31)26(18-21(24)30)47(42,43)44;;/h13-14,16-18,27H,3-12,15H2,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C29H37Cl2N5O9S2.2Na,,,,,,HKAOXGYNZYWYAQ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.188,276-129-3,71873-55-7,"[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium hydrogen sulphate","2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,[H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,"InChI=1/C22H29N6S.H2O4S.H2/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-5(2,3)4;/h7-13,16H,6,14-15H2,1-5H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C22H29N6S.HO4S,,,,,,HSZFDMQDZKAMSW-UHFFFAOYSA-M,,,,,,,,,,,
100.068.127,274-963-2,70865-35-9,"Trisodium 5-amino-8-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonate","trisodium 5-amino-8-{[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonate",[Na+].[Na+].[Na+].Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1cccc(c1C(=O)c23)S([O-])(=O)=O)S([O-])(=O)=O)cc4)c(c5)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1cccc(c1C(=O)c23)S([O-])(=O)=O)S([O-])(=O)=O)cc4)c(c5)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C29H18Cl2N8O11S3.3Na/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)26(41)21-15(25(23)40)2-1-3-18(21)51(42,43)44;;;/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37);;;/q;3*+1/p-3",C29H18Cl2N8O11S3.3Na,,,,,,AQTNLFYCGHFOBO-UHFFFAOYSA-K,,,,,,,,,,,
100.062.875,269-183-4,68189-25-3,Barium 1-[(2-hydroxy-1-naphthyl)azo]naphthalene-2-sulphonate(1:2),barium bis{1-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-2-sulfonate},[Ba].[O-]S(=O)(=O)c4ccc1ccccc1c4N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c4ccc1ccccc1c4N=Nc2c3ccccc3ccc2O,[Ba].[O-]S(=O)(=O)c4ccc1ccccc1c4N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c4ccc1ccccc1c4N=Nc2c3ccccc3ccc2O,"InChI=1/2C20H14N2O4S.Ba/c2*23-17-11-9-13-5-1-3-7-15(13)19(17)21-22-20-16-8-4-2-6-14(16)10-12-18(20)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2",C20H14N2O4S.1/2Ba,,,,,,ASAFXQGIKWQMRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.062.878,269-187-6,68189-30-0,"3-(acetylamino)naphthalene-1,5-disulphonic acid","3-acetamidonaphthalene-1,5-disulfonic acid",CC(=O)Nc1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,CC(=O)Nc1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C12H11NO7S2/c1-7(14)13-8-5-10-9(12(6-8)22(18,19)20)3-2-4-11(10)21(15,16)17/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20)",C12H11NO7S2,,,,,,MVPUPRCGSNHKTN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.885,269-194-4,68189-37-7,"4'-(acetylamino)-4-[(3-aminobenzoyl)amino][1,1'-biphenyl]-3-sulphonic acid",4'-acetamido-4-[(3-aminobenzoyl)amino]biphenyl-3-sulfonic acid,CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)c3cccc(N)c3)c(c2)S(=O)(=O)O,CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)c3cccc(N)c3)c(c2)S(=O)(=O)O,"InChI=1/C21H19N3O5S/c1-13(25)23-18-8-5-14(6-9-18)15-7-10-19(20(12-15)30(27,28)29)24-21(26)16-3-2-4-17(22)11-16/h2-12H,22H2,1H3,(H,23,25)(H,24,26)(H,27,28,29)",C21H19N3O5S,,,,,,PPGMTXJUPIBUQX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.892,269-202-6,68191-10-6,Diammonium palladium(2+) disulphite,diammonium palladium(2+) disulphite,[NH4+].[NH4+].[Pd+2].[O-]S(=O)[O-].[O-]S(=O)[O-],[NH4+].[NH4+].[Pd+2].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/2H3N.2H2O3S.Pd/c;;2*1-4(2)3;/h2*1H3;2*(H2,1,2,3);/q;;;;+2/p-2",H3N.H2O3S.1/2Pd,,,,,,QSWWKWRYSDGKMF-UHFFFAOYSA-L,,,,,,,,,,,
100.066.375,273-034-9,68929-03-3,"1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethyl]pyridinium acetate","1-{2-[(4-{[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl)(ethyl)amino]ethyl}pyridinium acetate",[O-]C(C)=O.CN(C)S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2ccc(cc2)N(CC[n+]3ccccc3)CC,[O-]C(C)=O.CN(C)S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2ccc(cc2)N(CC[n+]3ccccc3)CC,"InChI=1/C23H26Cl2N5O2S.C2H4O2/c1-4-30(15-14-29-12-6-5-7-13-29)19-10-8-18(9-11-19)26-27-22-16-21(25)23(17-20(22)24)33(31,32)28(2)3;1-2(3)4/h5-13,16-17H,4,14-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C23H26Cl2N5O2S.C2H3O2,,,,,,QXTKCVWOSBEYKK-UHFFFAOYSA-M,,,,,,,,,,,
100.066.376,273-035-4,68929-04-4,"Disodium 1-[2-(2-carboxyethoxy)ethyl]-1-(2-carboxyethyl)-4,5-dihydro-2-undecyl-1H-imidazolium hydroxide",-,[OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCOCCC(=O)O)CCC(=O)O,[OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCOCCC(=O)O)CCC(=O)O,"InChI=1/C22H40N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-20-23-14-16-24(20,15-12-21(25)26)17-19-29-18-13-22(27)28;;;/h2-19H2,1H3,(H-,25,26,27,28);;;1H2/q;2*+1;",C22H41N2O5.HO.2Na,,,,,,SMQFXDSODUOFHN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.378,273-038-0,68929-06-6,"3,8,13,18-tetrakis(carboxymethyl)-21H,23H-porphine-2,7,12,17-tetrapropionic acid dihydrochloride","3,3',3'',3'''-[3,8,13,18-tetrakis(carboxymethyl)porphine-2,7,12,17-tetrayl]tetrapropanoic acid dihydrochloride",Cl.Cl.OC(=O)CCC1=C(CC(=O)O)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CCC(=O)O)CC(=O)O)C(=C4CCC(=O)O)CC(=O)O)C(=C3CCC(=O)O)CC(=O)O,Cl.Cl.OC(=O)CCC1=C(CC(=O)O)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CCC(=O)O)CC(=O)O)C(=C4CCC(=O)O)CC(=O)O)C(=C3CCC(=O)O)CC(=O)O,"InChI=1/C40H36N4O16.2ClH/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29;;/h13-16H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60);2*1H",C40H38N4O16.2ClH,,,,,,BMADAFVFDAUDMI-UHFFFAOYSA-N,,,,,,,,,,,
100.066.385,273-045-9,68935-57-9,"4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-N-[3-(2-phenoxyethoxy)propyl]naphthalene-2-carboxamide","4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-3-hydroxy-N-[3-(2-phenoxyethoxy)propyl]-2-naphthamide",O=C(NCCCOCCOc1ccccc1)c6cc2ccccc2c(N=Nc5cccc4C(=O)c3ccccc3C(=O)c45)c6O,O=C(NCCCOCCOc1ccccc1)c6cc2ccccc2c(N=Nc5cccc4C(=O)c3ccccc3C(=O)c45)c6O,"InChI=1/C36H29N3O6/c40-33-26-14-6-7-15-27(26)34(41)31-28(33)16-8-17-30(31)38-39-32-25-13-5-4-10-23(25)22-29(35(32)42)36(43)37-18-9-19-44-20-21-45-24-11-2-1-3-12-24/h1-8,10-17,22,42H,9,18-21H2,(H,37,43)",C36H29N3O6,,,,,,LYZNHEVPFRMISK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.387,273-048-5,68936-17-4,"Bis[2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium] tetrachlorozincate(2-)","bis(2-{[4-(dimethylamino)phenyl]diazenyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium) tetrachlorozincate(2-)",CN2/C=C\\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=NC2[NH+](C)\\C=C/N2C,CN2/C=C\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=NC2[NH+](C)\C=C/N2C,"InChI=1/2C13H19N5.4ClH.Zn/c2*1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;;;;;/h2*5-10,13H,1-4H3;4*1H;/q;;;;;;+2/p-2/r2C13H19N5.Cl4Zn/c2*1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-5(2,3)4/h2*5-10,13H,1-4H3;/q;;-2/p+2",C13H18N5.1/2Cl4Zn,,,,,,OTQJCRJPLGQMGS-UHFFFAOYSA-L,,,,,,,,,,,
100.066.407,273-070-5,68937-48-4,"1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, C5-9 carboxylates","2,2-bis(hydroxymethyl)butyl heptanoate",CCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C13H26O4/c1-3-5-6-7-8-12(16)17-11-13(4-2,9-14)10-15/h14-15H,3-11H2,1-2H3",-,,,,,,OCELHTPLFGWCNG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.248,268-493-7,68109-82-0,"2-ethylhexyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:2)","2-ethylhexyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:2)",CCCCC(CC)COP(=O)(O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,CCCCC(CC)COP(=O)(O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,"InChI=1/C8H19O4P.2C6H15NO3/c1-3-5-6-8(4-2)7-12-13(9,10)11;2*8-4-1-7(2-5-9)3-6-10/h8H,3-7H2,1-2H3,(H2,9,10,11);2*8-10H,1-6H2",C8H19O4P.2C6H15NO3,,,,,,ICZMFJPQSVUDOI-UHFFFAOYSA-N,,,,,,,,,,,
100.068.123,274-959-0,70865-31-5,"Pentasodium 4-amino-6-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","pentasodium 4-amino-6-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C25H17Cl2N9O16S5.5Na/c26-23-30-24(27)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(28)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,37H,28H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,29,30,31,32);;;;;/q;5*+1/p-5",C25H17Cl2N9O16S5.5Na,,,,,,YWHQOJGTWCMJAY-UHFFFAOYSA-I,,,,,,,,,,,
100.069.630,276-617-6,72379-40-9,"4,8-diamino-2,6-dibromonaphthalene-1,5-diol","4,8-diamino-2,6-dibromonaphthalene-1,5-diol",Nc1cc(Br)c(O)c2c(N)cc(Br)c(O)c12,Nc1cc(Br)c(O)c2c(N)cc(Br)c(O)c12,"InChI=1/C10H8Br2N2O2/c11-3-1-5(13)7-8(9(3)15)6(14)2-4(12)10(7)16/h1-2,15-16H,13-14H2",C10H8Br2N2O2,,,,,,HVZHDPROXKTWAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.632,276-619-7,72379-42-1,"Disodium 4-[(chloroacetyl)amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","disodium 2,5-dichloro-4-[4-({5-[(chloroacetyl)amino]-2-sulfonatophenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].[Na+].ClCC(=O)Nc3cc(N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O,[Na+].[Na+].ClCC(=O)Nc3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O,"InChI=1/C18H14Cl3N5O8S2.2Na/c1-8-17(18(28)26(25-8)13-5-11(21)15(6-10(13)20)36(32,33)34)24-23-12-4-9(22-16(27)7-19)2-3-14(12)35(29,30)31;;/h2-6,17H,7H2,1H3,(H,22,27)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C18H14Cl3N5O8S2.2Na,,,,,,NLDPUNQZQQOYAI-UHFFFAOYSA-L,,,,,,,,,,,
100.069.640,276-628-6,72389-79-8,"2'-[(chlorophenyl)amino]-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-[(2-chlorophenyl)amino]-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4Cl)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4Cl)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C30H25ClN2O3/c1-3-33(4-2)20-14-15-23-28(18-20)35-27-16-13-19(32-26-12-8-7-11-25(26)31)17-24(27)30(23)22-10-6-5-9-21(22)29(34)36-30/h5-18,32H,3-4H2,1-2H3",C30H25ClN2O3,,,,,,LRQZDCOOTPXRKM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.010,268-231-1,68039-10-1,Sodium butyl 8-sulphonatooleate,sodium 1-butoxy-1-oxooctadec-9-ene-8-sulfonate,[Na+].CCCCCCCC\\C=C/C(CCCCCCC(=O)OCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/C(CCCCCCC(=O)OCCCC)S(=O)(=O)[O-],"InChI=1/C22H42O5S.Na/c1-3-5-7-8-9-10-11-14-17-21(28(24,25)26)18-15-12-13-16-19-22(23)27-20-6-4-2;/h14,17,21H,3-13,15-16,18-20H2,1-2H3,(H,24,25,26);/q;+1/p-1",C22H42O5S.Na,,,,,,YPAGQTYPCZFMHF-SBBUSYCLSA-M,,,,,,,,,,,
100.062.012,268-233-2,68039-14-5,4-acetamido-5-methoxy-2-methylbenzenesulphonyl chloride,4-acetamido-5-methoxy-2-methylbenzenesulfonyl chloride,COc1cc(c(C)cc1NC(=O)C)S(=O)(=O)Cl,COc1cc(c(C)cc1NC(=O)C)S(=O)(=O)Cl,"InChI=1/C10H12ClNO4S/c1-6-4-8(12-7(2)13)9(16-3)5-10(6)17(11,14)15/h4-5H,1-3H3,(H,12,13)",C10H12ClNO4S,,,,,,XWRBAVORXAXIRN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.013,268-234-8,68039-15-6,"N-[4-[(2-hydroxyethyl)sulphonyl]-2,5-dimethoxyphenyl]acetamide","N-{4-[(2-hydroxyethyl)sulfonyl]-2,5-dimethoxyphenyl}acetamide",COc1cc(c(OC)cc1NC(=O)C)S(=O)(=O)CCO,COc1cc(c(OC)cc1NC(=O)C)S(=O)(=O)CCO,"InChI=1/C12H17NO6S/c1-8(15)13-9-6-11(19-3)12(7-10(9)18-2)20(16,17)5-4-14/h6-7,14H,4-5H2,1-3H3,(H,13,15)",C12H17NO6S,,,,,,OVVZJBVGJCOWFB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.015,268-236-9,68039-18-9,"Citric acid, ammonium manganese(2+) salt",ammonium manganese(2+) citrate,[Mn].N.O=C(O)CC(O)(CC(=O)O)C(O)=O,[Mn].N.O=C(O)CC(O)(CC(=O)O)C(O)=O,"InChI=1/C6H8O7.Mn.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+2;",C6H8O7.xH3N.xMn,,,,,,SGMWFNZLRCYBAO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.021,268-243-7,68039-24-7,"8-(1-methoxyethoxy)-2,6-dimethyloct-2-ene","8-(1-methoxyethoxy)-2,6-dimethyloct-2-ene",COC(C)OCCC(C)CCC=C(C)C,COC(C)OCCC(C)CCC=C(C)C,"InChI=1/C13H26O2/c1-11(2)7-6-8-12(3)9-10-15-13(4)14-5/h7,12-13H,6,8-10H2,1-5H3",C13H26O2,,,,,,YSABATHBMSLQLP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.023,268-245-8,68039-27-0,Methyl 2-ethyl-3-oxohexanoate,methyl 2-ethyl-3-oxohexanoate,CCCC(=O)C(CC)C(=O)OC,CCCC(=O)C(CC)C(=O)OC,"InChI=1/C9H16O3/c1-4-6-8(10)7(5-2)9(11)12-3/h7H,4-6H2,1-3H3",C9H16O3,,,,,,BCOAUCOBZITYQI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.118,298-077-0,93777-45-8,Octyl 2-ethylhexanoate,octyl 2-ethylhexanoate,CCCCCCCCOC(=O)C(CC)CCCC,CCCCCCCCOC(=O)C(CC)CCCC,"InChI=1/C16H32O2/c1-4-7-9-10-11-12-14-18-16(17)15(6-3)13-8-5-2/h15H,4-14H2,1-3H3",C16H32O2,,,,,,LGCQCKHJCZIRTE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.315,299-394-7,93859-56-4,Ethylbis[2-(2-hydroxyethoxy)ethyl](octadecyl)ammonium ethyl sulphate,"N-ethyl-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadecan-1-aminium ethyl sulfate",CCCCCCCCCCCCCCCCCC[N+](CC)(CCOCCO)CCOCCO.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](CC)(CCOCCO)CCOCCO.CCOS(=O)(=O)[O-],"InChI=1/C28H60NO4.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(4-2,21-25-32-27-23-30)22-26-33-28-24-31;1-2-6-7(3,4)5/h30-31H,3-28H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C28H60NO4.C2H5O4S,,,,,,ODRUOWKEALJGSM-UHFFFAOYSA-M,,,,,,,,,,,
100.090.328,299-408-1,93882-05-4,"2-(4,8-dimethylnona-3,7-dienyl)-4-methyl-1,3-dioxolane","2-(4,8-dimethylnona-3,7-dien-1-yl)-4-methyl-1,3-dioxolane",C/C(C)=C\\CCC(C)=CCCC1OC(C)CO1,C/C(C)=C\CCC(C)=CCCC1OC(C)CO1,"InChI=1/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15-16-11-14(4)17-15/h7,9,14-15H,5-6,8,10-11H2,1-4H3",C15H26O2,,,,,,HFTWTTJHFSWSIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.340,299-421-2,93882-24-7,"Undecenoic acid, compound with 1,1',1''-nitrilotripropan-2-ol (1:1)","undec-2-enoic acid - 1,1',1''-nitrilotripropan-2-ol (1:1)",CC(O)CN(CC(C)O)CC(O)C.CCCCCCCCC=CC(O)=O,CC(O)CN(CC(C)O)CC(O)C.CCCCCCCCC=CC(O)=O,"InChI=1/C11H20O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-7(11)4-10(5-8(2)12)6-9(3)13/h9-10H,2-8H2,1H3,(H,12,13);7-9,11-13H,4-6H2,1-3H3",C11H20O2.C9H21NO3,,,,,,PYQCTDQXYOPUAC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.718,276-713-8,72548-55-1,3-isocyanopropyl toluene-p-sulphonate,3-isocyanopropyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OCCC[N+]#[C-],Cc1ccc(cc1)S(=O)(=O)OCCC[N+]#[C-],"InChI=1/C11H13NO3S/c1-10-4-6-11(7-5-10)16(13,14)15-9-3-8-12-2/h4-7H,3,8-9H2,1H3",C11H13NO3S,,,,,,MXVUQONAJMUUHG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.719,276-714-3,72548-77-7,"3,3-bis[4-(dimethylamino)phenyl]-6-(1-pyrrolidinyl)phthalide","3,3-bis[4-(dimethylamino)phenyl]-6-pyrrolidin-1-yl-2-benzofuran-1(3H)-one",CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N4CCCC4)c5ccc(cc5)N(C)C,CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N4CCCC4)c5ccc(cc5)N(C)C,"InChI=1/C28H31N3O2/c1-29(2)22-11-7-20(8-12-22)28(21-9-13-23(14-10-21)30(3)4)26-16-15-24(31-17-5-6-18-31)19-25(26)27(32)33-28/h7-16,19H,5-6,17-18H2,1-4H3",C28H31N3O2,,,,,,WGFSNTKSRNEXLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.726,276-722-7,72578-97-3,4-methoxy-6-[2-(4-methoxyphenyl)ethyl]salicylic acid,2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]benzoic acid,COc1ccc(CCc2cc(OC)cc(O)c2C(=O)O)cc1,COc1ccc(CCc2cc(OC)cc(O)c2C(=O)O)cc1,"InChI=1/C17H18O5/c1-21-13-7-4-11(5-8-13)3-6-12-9-14(22-2)10-15(18)16(12)17(19)20/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)",C17H18O5,,,,,,QTSHPXKETKYZMV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.727,276-723-2,72584-59-9,"N-(2-methoxyethyl)benzene-1,4-diamine dihydrochloride","N-(2-methoxyethyl)benzene-1,4-diamine dihydrochloride",Cl.Cl.COCCNc1ccc(N)cc1,Cl.Cl.COCCNc1ccc(N)cc1,"InChI=1/C9H14N2O.2ClH/c1-12-7-6-11-9-4-2-8(10)3-5-9;;/h2-5,11H,6-7,10H2,1H3;2*1H",C9H14N2O.2ClH,,,,,,RQIJPFIYXBNVAG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.729,276-725-3,72586-00-6,Lead bis(nonylphenolate),-,[Pb+2].[O-]c1ccccc1CCCCCCCCC.CCCCCCCCCc1ccccc1[O-],[Pb+2].[O-]c1ccccc1CCCCCCCCC.CCCCCCCCCc1ccccc1[O-],"InChI=1/2C15H24O.Pb.2H/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;;;/h2*9-10,12-13,16H,2-8,11H2,1H3;;;/q;;+4;;/p-2/r2C15H24O.H2Pb/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;1H2/q;;+4/p-2",C15H24O.1/2Pb,,,,,,RZJWIRXAABVVBS-UHFFFAOYSA-L,,,,,,,,,,,
100.069.736,276-733-7,72616-77-4,"N-[2-[(2,5-dichloro-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide","N-{2-[(2,5-dichloro-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide",Clc2cc(c(Cl)cc2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,Clc2cc(c(Cl)cc2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)[N+]([O-])=O,"InChI=1/C18H19Cl2N5O3/c1-4-24(5-2)12-6-7-15(17(8-12)21-11(3)26)22-23-16-9-14(20)18(25(27)28)10-13(16)19/h6-10H,4-5H2,1-3H3,(H,21,26)",C18H19Cl2N5O3,,,,,,SYYKXSDKWNMILD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.746,276-744-7,72626-61-0,7-[(4-O-ß-D-glucopyranosyl-ß-D-glucopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one,4-methyl-2-oxo-2H-chromen-7-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)ccc12,CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)ccc12,"InChI=1/C22H28O13/c1-8-4-14(25)32-11-5-9(2-3-10(8)11)31-21-19(30)17(28)20(13(7-24)34-21)35-22-18(29)16(27)15(26)12(6-23)33-22/h2-5,12-13,15-24,26-30H,6-7H2,1H3",C22H28O13,,,,,,PRTGXBPFDYMIJH-MKQZUAMYSA-N,,,,,,,,,,,
100.069.189,276-130-9,71873-57-9,"5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate","5-chloro-2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium methyl sulfate",COS(=O)(=O)[O-].CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1,COS(=O)(=O)[O-].CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1,"InChI=1/C23H25ClN3.CH4O4S/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;1-5-6(2,3)4/h6-13,16H,5,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C23H25ClN3.CH3O4S,,,,,,IWNXFZCGTNCPPU-UHFFFAOYSA-M,,,,,,,,,,,
100.069.202,276-145-0,71888-56-7,1-propylpiperazine hydrobromide,1-propylpiperazine hydrobromide,Br.CCCN1CCNCC1,Br.CCCN1CCNCC1,"InChI=1/C7H16N2.BrH/c1-2-5-9-6-3-8-4-7-9;/h8H,2-7H2,1H3;1H",C7H16N2.xBrH,,,,,,MCTXSOYQCYXGDG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.207,276-150-8,71888-61-4,D-glucitol dinitrate,"1,2-di-O-nitro-D-glucitol",OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO[N+](=O)[O-])O[N+](=O)[O-],OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1/C6H12N2O10/c9-1-3(10)5(11)6(12)4(18-8(15)16)2-17-7(13)14/h3-6,9-12H,1-2H2",C6H12N2O10,,,,,,ZNWGJVKCVWQWPY-JGWLITMVSA-N,,,,,,,,,,,
100.066.325,272-979-4,68922-07-6,3-phenylpropyl 2-butenoate,3-phenylpropyl but-2-enoate,CC=CC(=O)OCCCc1ccccc1,CC=CC(=O)OCCCc1ccccc1,"InChI=1/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h2-5,7-9H,6,10-11H2,1H3",C13H16O2,,,,,,OSJGHGHIAYUYSS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.330,272-985-7,68922-13-4,3-methyl-2-(pentyloxy)cyclopent-2-en-1-one,3-methyl-2-(pentyloxy)cyclopent-2-en-1-one,CCCCCOC1=C(C)CCC1=O,CCCCCOC1=C(C)CCC1=O,"InChI=1/C11H18O2/c1-3-4-5-8-13-11-9(2)6-7-10(11)12/h3-8H2,1-2H3",C11H18O2,,,,,,YZNBCHMWGPMYIS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.336,272-992-5,68922-24-7,"1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-1,3'-bipyridinium acetate","6'-hydroxy-4'-methyl-2'-oxo-5'-(phenyldiazenyl)-1',2'-dihydro-1,3'-bipyridinium diacetate",O=C3[NH2+]C(\\O)=C(\\N=Nc1ccccc1)C(\\C)=C3\\[n+]2ccccc2.[O-]C(C)=O.[O-]C(C)=O,O=C3[NH2+]C(\O)=C(\N=Nc1ccccc1)C(\C)=C3\[n+]2ccccc2.[O-]C(C)=O.[O-]C(C)=O,"InChI=1/C17H14N4O2.2C2H4O2/c1-12-14(20-19-13-8-4-2-5-9-13)16(22)18-17(23)15(12)21-10-6-3-7-11-21;2*1-2(3)4/h2-11H,1H3,(H-,18,19,22,23);2*1H3,(H,3,4)",C17H15N4O2.C2H3O2,,,,,,DUDOVSRRMUZSSW-UHFFFAOYSA-N,,,,,,,,,,,
100.066.356,273-013-4,68928-45-0,D-glucitol 1-(3-mercaptopropionate),1-O-(3-sulfanylpropanoyl)-D-glucitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CCS,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CCS,"InChI=1/C9H18O7S/c10-3-5(11)8(14)9(15)6(12)4-16-7(13)1-2-17/h5-6,8-12,14-15,17H,1-4H2",C9H18O7S,,,,,,HFFGLIQNBUXATK-HSLWUYEYSA-N,,,,,,,,,,,
100.066.366,273-024-4,68928-61-0,"8-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene","8-(1-ethoxyethoxy)-2,6-dimethyloct-2-ene",CCOC(C)OCCC(C)CCC=C(C)C,CCOC(C)OCCC(C)CCC=C(C)C,"InChI=1/C14H28O2/c1-6-15-14(5)16-11-10-13(4)9-7-8-12(2)3/h8,13-14H,6-7,9-11H2,1-5H3",C14H28O2,,,,,,SPEUXEXTPNHKBM-UHFFFAOYSA-N,,,,,,,,,,,
100.067.449,274-218-1,69929-03-9,"4,4'-oxybis[dodecylbenzenesulphonic] acid","4,4'-oxybis(2-dodecylbenzenesulfonic acid)",CCCCCCCCCCCCc1cc(Oc2ccc(c(CCCCCCCCCCCC)c2)S(=O)(=O)O)ccc1S(=O)(=O)O,CCCCCCCCCCCCc1cc(Oc2ccc(c(CCCCCCCCCCCC)c2)S(=O)(=O)O)ccc1S(=O)(=O)O,"InChI=1/C36H58O7S2/c1-3-5-7-9-11-13-15-17-19-21-23-31-29-33(25-27-35(31)44(37,38)39)43-34-26-28-36(45(40,41)42)32(30-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3,(H,37,38,39)(H,40,41,42)",C36H58O7S2,,,,,,DGOKVTWHRCIZOX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.452,274-221-8,69929-15-3,"Methyl 3-[[5-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,2,4-thiadiazol-3-yl]thio]propionate","methyl 3-{[5-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,2,4-thiadiazol-3-yl]sulfanyl}propanoate",CCN(CCC#N)c1ccc(cc1)N=Nc2nc(SCCC(=O)OC)ns2,CCN(CCC#N)c1ccc(cc1)N=Nc2nc(SCCC(=O)OC)ns2,"InChI=1/C17H20N6O2S2/c1-3-23(11-4-10-18)14-7-5-13(6-8-14)20-21-16-19-17(22-27-16)26-12-9-15(24)25-2/h5-8H,3-4,9,11-12H2,1-2H3",C17H20N6O2S2,,,,,,GGYJFRFXNKBWKW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.457,274-227-0,69938-68-7,"4-[(2-chloro-4,6-dinitrophenyl)azo]-N,N-diethyl-5-methyl-o-anisidine","4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-2-methoxy-5-methylaniline",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1C)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1C)N(CC)CC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H20ClN5O5/c1-5-22(6-2)15-7-11(3)14(10-17(15)29-4)20-21-18-13(19)8-12(23(25)26)9-16(18)24(27)28/h7-10H,5-6H2,1-4H3",C18H20ClN5O5,,,,,,BXFGUKZOMXCIDY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.463,274-233-3,69943-69-7,N-octyldodecanamide,N-octyldodecanamide,CCCCCCCCCCCC(=O)NCCCCCCCC,CCCCCCCCCCCC(=O)NCCCCCCCC,"InChI=1/C20H41NO/c1-3-5-7-9-11-12-13-14-16-18-20(22)21-19-17-15-10-8-6-4-2/h3-19H2,1-2H3,(H,21,22)",C20H41NO,,,,,,NBEJBMSIQHPHDT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.466,274-237-5,69965-44-2,1-[2-methyl-3-[4-(phenylthio)phenyl]propyl]-1H-imidazolium chloride,3-{2-methyl-3-[4-(phenylsulfanyl)phenyl]propyl}-1H-imidazol-3-ium chloride,[Cl-].CC(Cc1ccc(Sc2ccccc2)cc1)C[n+]3cc[nH]c3,[Cl-].CC(Cc1ccc(Sc2ccccc2)cc1)C[n+]3cc[nH]c3,"InChI=1/C19H20N2S.ClH/c1-16(14-21-12-11-20-15-21)13-17-7-9-19(10-8-17)22-18-5-3-2-4-6-18;/h2-12,15-16H,13-14H2,1H3;1H",C19H20N2S.ClH,,,,,,HBCVTNKEGVSKIY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.167,275-007-7,70900-37-7,2-[[[[2-methyl-5-[[[4-[methyl[(undecafluoropentyl)sulphonyl]amino]butoxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(2-methyl-5-{[(4-{methyl[(undecafluoropentyl)sulfonyl]amino}butoxy)carbonyl]amino}phenyl)carbamoyl]oxy}propyl methacrylate,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,"InChI=1/C26H30F11N3O8S/c1-14(2)19(41)47-13-16(4)48-21(43)39-18-12-17(9-8-15(18)3)38-20(42)46-11-7-6-10-40(5)49(44,45)26(36,37)24(31,32)22(27,28)23(29,30)25(33,34)35/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,38,42)(H,39,43)",C26H30F11N3O8S,,,,,,VORMEUUFGOJQNI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.922,269-235-6,68201-75-2,"Disodium 3-[(4-amino-1-naphthyl)azo]naphthalene-1,5-disulphonate","disodium 3-[(4-amino-1-naphthyl)diazenyl]naphthalene-1,5-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4cccc1c4cc(cc1S([O-])(=O)=O)N=Nc3ccc(N)c2ccccc23,[Na+].[Na+].[O-]S(=O)(=O)c4cccc1c4cc(cc1S([O-])(=O)=O)N=Nc3ccc(N)c2ccccc23,"InChI=1/C20H15N3O6S2.2Na/c21-17-8-9-18(14-5-2-1-4-13(14)17)23-22-12-10-16-15(20(11-12)31(27,28)29)6-3-7-19(16)30(24,25)26;;/h1-11H,21H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H15N3O6S2.2Na,,,,,,DEGUEHYEGPBHMG-UHFFFAOYSA-L,,,,,,,,,,,
100.062.926,269-239-8,68201-80-9,"Citric acid, ammonium iron(3+) manganese(2+) zinc salt",-,[Fe].[Mn].N.[Zn].O=C(O)CC(O)(CC(=O)O)C(O)=O,[Fe].[Mn].N.[Zn].O=C(O)CC(O)(CC(=O)O)C(O)=O,"InChI=1/C6H8O7.Fe.Mn.H3N.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;1H3;/q;2*+2;;+2",C6H8O7.xFe.xH3N.xMn.xZn,,,,,,SOJKIZJSYFYEQX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.935,269-249-2,68207-00-1,Dodecylethyldimethylammonium bromide,"N-ethyl-N,N-dimethyldodecan-1-aminium bromide",[Br-].CCCCCCCCCCCC[N+](C)(C)CC,[Br-].CCCCCCCCCCCC[N+](C)(C)CC,"InChI=1/C16H36N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H/q+1;/p-1",C16H36N.Br,,,,,,FFGSPQDSOUPWGY-UHFFFAOYSA-M,,,,,,,,,,,
100.062.954,269-270-7,68213-87-6,"[(3,7-dimethyl-2,6-octadienyl)oxy]acetaldehyde","[(3,7-dimethylocta-2,6-dien-1-yl)oxy]acetaldehyde",C\\C(C)=C\\CCC(C)=CCOCC=O,C\C(C)=C\CCC(C)=CCOCC=O,"InChI=1/C12H20O2/c1-11(2)5-4-6-12(3)7-9-14-10-8-13/h5,7-8H,4,6,9-10H2,1-3H3",C12H20O2,,,,,,LAUVMIDRJMQUQL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.955,269-271-2,68213-88-7,"Ammonium potassium 7-aminonaphthalene-1,3-disulphonate","ammonium potassium 7-aminonaphthalene-1,3-disulfonate",[NH4+].[K+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[NH4+].[K+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.K.H3N/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;1H3/q;+1;/p-1",C10H9NO6S2.H3N.K,,,,,,TZVTVNXYTRWACD-UHFFFAOYSA-M,,,,,,,,,,,
100.091.780,301-003-2,93966-51-9,"Cinnamic acid, compound with 1-aminopropan-2-ol (1:1)",3-phenylacrylic acid - 1-aminopropan-2-ol (1:1),CC(O)CN.OC(=O)\\C=C\\c1ccccc1,CC(O)CN.OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.C3H9NO/c10-9(11)7-6-8-4-2-1-3-5-8;1-3(5)2-4/h1-7H,(H,10,11);3,5H,2,4H2,1H3",C9H8O2.C3H9NO,,,,,,COVABMBOJCPPPV-UHDJGPCESA-N,,,,,,,,,,,
100.091.786,301-010-0,93966-58-6,1-[[4-[(4-aminophenyl)methyl]phenyl]amino]-3-butoxypropan-2-ol,1-{[4-(4-aminobenzyl)phenyl]amino}-3-butoxypropan-2-ol,CCCCOCC(O)CNc1ccc(Cc2ccc(N)cc2)cc1,CCCCOCC(O)CNc1ccc(Cc2ccc(N)cc2)cc1,"InChI=1/C20H28N2O2/c1-2-3-12-24-15-20(23)14-22-19-10-6-17(7-11-19)13-16-4-8-18(21)9-5-16/h4-11,20,22-23H,2-3,12-15,21H2,1H3",C20H28N2O2,,,,,,HBHGSQLFKAKHML-UHFFFAOYSA-N,,,,,,,,,,,
100.091.787,301-011-6,93966-59-7,Uronium sulphamate,amino(hydroxy)methaniminium sulfamate,NC(=[NH2+])O.NS(=O)(=O)[O-],NC(=[NH2+])O.NS(=O)(=O)[O-],"InChI=1/CH4N2O.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)",CH4N2O.xH3NO3S,,,,,,NLXLGAYSEMFOLC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.788,301-012-1,93966-60-0,Bis[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl] azelate,bis{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl} azelaate,Clc4cc(ccc4N=Nc1ccc(cc1)N(CC)CCOC(=O)CCCCCCCC(=O)OCCN(CC)c3ccc(N=Nc2ccc(cc2Cl)[N+]([O-])=O)cc3)[N+]([O-])=O,Clc4cc(ccc4N=Nc1ccc(cc1)N(CC)CCOC(=O)CCCCCCCC(=O)OCCN(CC)c3ccc(N=Nc2ccc(cc2Cl)[N+]([O-])=O)cc3)[N+]([O-])=O,"InChI=1/C41H46Cl2N8O8/c1-3-48(32-16-12-30(13-17-32)44-46-38-22-20-34(50(54)55)28-36(38)42)24-26-58-40(52)10-8-6-5-7-9-11-41(53)59-27-25-49(4-2)33-18-14-31(15-19-33)45-47-39-23-21-35(51(56)57)29-37(39)43/h12-23,28-29H,3-11,24-27H2,1-2H3",C41H46Cl2N8O8,,,,,,UJECUQTYPLKBCF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.800,301-025-2,93966-72-4,"7-hydroxy-8-[[4-[(3-phosphonophenyl)azo]-2-sulphophenyl]azo]naphthalene-1,3-disulphonic acid","7-hydroxy-8-({4-[(3-phosphonophenyl)diazenyl]-2-sulfophenyl}diazenyl)naphthalene-1,3-disulfonic acid",OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S(O)(=O)=O)S(O)(=O)=O)c(c4)S(O)(=O)=O,OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S(O)(=O)=O)S(O)(=O)=O)c(c4)S(O)(=O)=O,"InChI=1/C22H17N4O13PS3/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30/h1-11,27H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)",C22H17N4O13PS3,,,,,,HJBVBKCRIMMOCK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.028,268-251-0,68039-33-8,2-methoxy-6-(2-methylpropyl)pyrazine,2-isobutyl-6-methoxypyrazine,COc1cncc(CC(C)C)n1,COc1cncc(CC(C)C)n1,"InChI=1/C9H14N2O/c1-7(2)4-8-5-10-6-9(11-8)12-3/h5-7H,4H2,1-3H3",C9H14N2O,,,,,,LXCCBDKCWSQJKW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.035,268-258-9,68039-42-9,"4-(1,1-dimethylethyl)cyclohexyl formate",4-tert-butylcyclohexyl formate,CC(C)(C)C1CCC(CC1)OC=O,CC(C)(C)C1CCC(CC1)OC=O,"InChI=1/C11H20O2/c1-11(2,3)9-4-6-10(7-5-9)13-8-12/h8-10H,4-7H2,1-3H3",C11H20O2,,,,,,ZIIKTNCFALFPNK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.036,268-259-4,68039-44-1,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl pivalate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl pivalate",CC(C)(C)C(=O)OC1CC2CC1C3CC=CC23,CC(C)(C)C(=O)OC1CC2CC1C3CC=CC23,"InChI=1/C15H22O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h4-5,9-13H,6-8H2,1-3H3",C15H22O2,,,,,,MEAGMJILPLJCFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.680,276-672-6,72467-44-8,Piclonidine,"N-(2,6-dichlorophenyl)-N-(tetrahydro-2H-pyran-2-yl)-4,5-dihydro-1H-imidazol-2-amine",Clc1cccc(Cl)c1N(C2CCCCO2)C3=NCCN3,Clc1cccc(Cl)c1N(C2CCCCO2)C3=NCCN3,"InChI=1/C14H17Cl2N3O/c15-10-4-3-5-11(16)13(10)19(14-17-7-8-18-14)12-6-1-2-9-20-12/h3-5,12H,1-2,6-9H2,(H,17,18)",C14H17Cl2N3O,,,,,,NYQGJEQCYOJBPV-UHFFFAOYSA-N,,,,,,,,,,,
100.062.053,268-278-8,68039-71-4,"3,3,5-trimethylhexanal","3,3,5-trimethylhexanal",CC(C)CC(C)(C)CC=O,CC(C)CC(C)(C)CC=O,"InChI=1/C9H18O/c1-8(2)7-9(3,4)5-6-10/h6,8H,5,7H2,1-4H3",C9H18O,,,,,,GNEQOLFOUYGYKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.057,268-283-5,68039-75-8,4-methyldodec-2-ene-1-nitrile,4-methyldodec-2-enenitrile,CC(CCCCCCCC)C=CC#N,CC(CCCCCCCC)C=CC#N,"InChI=1/C13H23N/c1-3-4-5-6-7-8-10-13(2)11-9-12-14/h9,11,13H,3-8,10H2,1-2H3",C13H23N,,,,,,MXRVPBVPWKZJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.073,268-300-6,68052-07-3,"2,5-diethoxy-N,N-diethyl-4-nitroaniline","2,5-diethoxy-N,N-diethyl-4-nitroaniline",CCOc1cc(c(OCC)cc1N(CC)CC)[N+](=O)[O-],CCOc1cc(c(OCC)cc1N(CC)CC)[N+](=O)[O-],"InChI=1/C14H22N2O4/c1-5-15(6-2)11-9-14(20-8-4)12(16(17)18)10-13(11)19-7-3/h9-10H,5-8H2,1-4H3",C14H22N2O4,,,,,,WQOIVYJIJVSNFM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.075,268-302-7,68052-09-5,"N-(2,5-diethoxyphenyl)-N-ethylacetamide","N-(2,5-diethoxyphenyl)-N-ethylacetamide",CCOc1ccc(OCC)c(c1)N(CC)C(=O)C,CCOc1ccc(OCC)c(c1)N(CC)C(=O)C,"InChI=1/C14H21NO3/c1-5-15(11(4)16)13-10-12(17-6-2)8-9-14(13)18-7-3/h8-10H,5-7H2,1-4H3",C14H21NO3,,,,,,MTUKOVJLVPAXGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.079,268-306-9,68052-13-1,"1-(2,5-diethoxy-4-nitrophenyl)pyrrolidine","1-(2,5-diethoxy-4-nitrophenyl)pyrrolidine",CCOc1cc(c(OCC)cc1N2CCCC2)[N+](=O)[O-],CCOc1cc(c(OCC)cc1N2CCCC2)[N+](=O)[O-],"InChI=1/C14H20N2O4/c1-3-19-13-10-12(16(17)18)14(20-4-2)9-11(13)15-7-5-6-8-15/h9-10H,3-8H2,1-2H3",C14H20N2O4,,,,,,KBGMGRHASIXYHM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.083,268-311-6,68052-18-6,"2,5-dimethoxy-4-morpholinoaniline","2,5-dimethoxy-4-morpholin-4-ylaniline",COc1cc(N2CCOCC2)c(OC)cc1N,COc1cc(N2CCOCC2)c(OC)cc1N,"InChI=1/C12H18N2O3/c1-15-11-8-10(12(16-2)7-9(11)13)14-3-5-17-6-4-14/h7-8H,3-6,13H2,1-2H3",C12H18N2O3,,,,,,UPKAFSNUROXYDY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.711,276-705-4,72498-89-6,"9ß,11ß-epoxy-6a-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)","6-fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate",CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)OC(=O)C,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)OC(=O)C,"InChI=1/C25H29FO7/c1-13(27)31-12-20(30)24(32-14(2)28)8-6-16-17-10-19(26)18-9-15(29)5-7-22(18,3)25(17)21(33-25)11-23(16,24)4/h5,7,9,16-17,19,21H,6,8,10-12H2,1-4H3",C25H29FO7,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16396,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.711,LNYMKQGFLVFMOI-KYAOAOQCSA-N,,,,,,,,,,,
100.078.305,286-166-7,85187-78-6,2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium acetate,2-{4-[(4-ethoxybenzyl)amino]phenyl}-1-ethylbenzo[cd]indolium acetate,CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.CC(=O)[O-],CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.CC(=O)[O-],"InChI=1/C28H26N2O.C2H4O2/c1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;1-2(3)4/h5-18H,3-4,19H2,1-2H3;1H3,(H,3,4)",C28H27N2O.C2H3O2,,,,,,SXOULAMQADMMTC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.306,286-167-2,85187-79-7,2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium sulphate (2:1),bis(2-{4-[(4-ethoxybenzyl)amino]phenyl}-1-ethylbenzo[cd]indolium) sulfate,CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.CCOc6ccc(CNc7ccc(cc7)C8=[N+](CC)c9cccc%10cccc8c9%10)cc6.[O-]S(=O)(=O)[O-],CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.CCOc6ccc(CNc7ccc(cc7)C8=[N+](CC)c9cccc%10cccc8c9%10)cc6.[O-]S(=O)(=O)[O-],"InChI=1/2C28H26N2O.H2O4S/c2*1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;1-5(2,3)4/h2*5-18H,3-4,19H2,1-2H3;(H2,1,2,3,4)",C28H27N2O.1/2O4S,,,,,,DWRCEEZIOFFNEN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.307,286-168-8,85187-80-0,2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium hydrogen sulphate,2-{4-[(4-ethoxybenzyl)amino]phenyl}-1-ethylbenzo[cd]indolium hydrogen sulfate,CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.[O-]S(=O)(=O)[O-],CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C28H26N2O.H2O4S/c1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;1-5(2,3)4/h5-18H,3-4,19H2,1-2H3;(H2,1,2,3,4)/p-1",C28H27N2O.HO4S,,,,,,AKHPOUIOBIMPKV-UHFFFAOYSA-M,,,,,,,,,,,
100.062.086,268-314-2,68052-21-1,"6-hydroxy-N,N-bis(2-hydroxyethyl)hexanamide","6-hydroxy-N,N-bis(2-hydroxyethyl)hexanamide",OCCCCCC(=O)N(CCO)CCO,OCCCCCC(=O)N(CCO)CCO,"InChI=1/C10H21NO4/c12-7-3-1-2-4-10(15)11(5-8-13)6-9-14/h12-14H,1-9H2",C10H21NO4,,,,,,ISYSXHXTFFZRKN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.094,268-323-1,68052-44-8,"2,4-dinitroso-1-naphthol","2,4-dinitroso-1-naphthol",Oc1c(cc(N=O)c2ccccc12)N=O,Oc1c(cc(N=O)c2ccccc12)N=O,"InChI=1/C10H6N2O3/c13-10-7-4-2-1-3-6(7)8(11-14)5-9(10)12-15/h1-5,13H",C10H6N2O3,,,,,,HCQUKMQNUZDSHU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.103,268-333-6,68065-81-6,"trans-4'-(4-pentylcyclohexyl)[1,1'-biphenyl]-4-carbonitrile",4'-(4-pentylcyclohexyl)biphenyl-4-carbonitrile,CCCCCC1CCC(CC1)c2ccc(cc2)c3ccc(cc3)C#N,CCCCCC1CCC(CC1)c2ccc(cc2)c3ccc(cc3)C#N,"InChI=1/C24H29N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h8-9,12-17,19,21H,2-7,10-11H2,1H3",C24H29N,,,,,,QKEBUASRTJNJJS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.132,299-192-9,93857-57-9,"Disodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4'-[(2-amino-4-hydroxyphenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(O)cc5N)c(OC)c6,[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(O)cc5N)c(OC)c6,"InChI=1/C36H30N8O10S2.2Na/c1-53-28-14-19(8-11-26(28)41-40-25-13-10-23(45)18-24(25)37)20-9-12-27(29(15-20)54-2)42-43-34-30(55(47,48)49)16-21-17-31(56(50,51)52)35(36(46)32(21)33(34)38)44-39-22-6-4-3-5-7-22;;/h3-18,45-46H,37-38H2,1-2H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C36H30N8O10S2.2Na,,,,,,YDTFBJNETWMJPS-UHFFFAOYSA-L,,,,,,,,,,,
100.090.138,299-199-7,93857-63-7,6-hydroxybenz[cd]indol-2(1H)-one,6-hydroxybenzo[cd]indol-2(1H)-one,Oc1ccc2NC(=O)c3cccc1c23,Oc1ccc2NC(=O)c3cccc1c23,"InChI=1/C11H7NO2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)12-8/h1-5,13H,(H,12,14)",C11H7NO2,,,,,,JVBDTVFHEJJWEU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.140,299-201-6,93857-65-9,"Disodium 3,3'-(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)bis[6-aminobenzenesulphonate]","disodium 3,3'-(1,3,8,10-tetraoxo-1,3,8,10-tetrahydroisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-2,9-diyl)bis(6-aminobenzenesulfonate)",[Na+].[Na+].Nc1ccc(cc1S(=O)(=O)[O-])N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(N)c(c9)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(cc1S(=O)(=O)[O-])N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9ccc(N)c(c9)S(=O)(=O)[O-],"InChI=1/C36H20N4O10S2.2Na/c37-25-11-1-15(13-27(25)51(45,46)47)39-33(41)21-7-3-17-19-5-9-23-32-24(10-6-20(30(19)32)18-4-8-22(34(39)42)31(21)29(17)18)36(44)40(35(23)43)16-2-12-26(38)28(14-16)52(48,49)50;;/h1-14H,37-38H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C36H20N4O10S2.2Na,,,,,,CPPOWHALLKHACP-UHFFFAOYSA-L,,,,,,,,,,,
100.090.143,299-204-2,93857-68-2,"5-chloro-2-[3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-3-methyl-1H-benzimidazolium chloride","5-chloro-2-[3-(5-chloro-1-ethyl-3-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1-ethyl-3-methyl-2,3-dihydro-1H-benzimidazol-1-ium chloride",[Cl-].CC[NH+]4c1ccc(Cl)cc1N(C)C4C=CC=C3N(C)c2cc(Cl)ccc2N3CC,[Cl-].CC[NH+]4c1ccc(Cl)cc1N(C)C4C=CC=C3N(C)c2cc(Cl)ccc2N3CC,"InChI=1/C23H26Cl2N4.ClH/c1-5-28-18-12-10-16(24)14-20(18)26(3)22(28)8-7-9-23-27(4)21-15-17(25)11-13-19(21)29(23)6-2;/h7-15,22H,5-6H2,1-4H3;1H",C23H25Cl2N4.Cl,,,,,,AAJPHVOVTVIBSS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.145,299-206-3,93857-70-6,"2-[2-[(3-ethyl-5,6-dimethyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-3-(3-sulphonatopropyl)benzoselenazolium","3-(2-{2-[(3-ethyl-5,6-dimethyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-6-methoxy-5-methyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(OC)cc4[se]c3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CC,[O-]S(=O)(=O)CCC[n+]3c4cc(C)c(OC)cc4[se]c3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CC,-,C28H34N2O4SSe2,,,,,,SMNNTVJXVKIOBS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.389,268-648-9,68132-80-9,Allyl trimethylhexanoate,"allyl 2,2,3-trimethylhexanoate",CCCC(C)C(C)(C)C(=O)OCC=C,CCCC(C)C(C)(C)C(=O)OCC=C,"InChI=1/C12H22O2/c1-6-8-10(3)12(4,5)11(13)14-9-7-2/h7,10H,2,6,8-9H2,1,3-5H3",C12H22O2,,,,,,JDQOLRKPXNKZKK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.399,268-659-9,68132-95-6,Lithium dimethyldiphenylborate(1-),lithium dimethyl(diphenyl)borate(1-),[Li+].C[B-](C)(c1ccccc1)c2ccccc2,[Li+].C[B-](C)(c1ccccc1)c2ccccc2,"InChI=1/C14H16B.Li/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12H,1-2H3;/q-1;+1",C14H16B.Li,,,,,,PLWLZCNQCFXUPO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.991,274-813-6,70715-10-5,"Oleic acid, compound with N,N-dimethylhexadecylamine (1:1)","octadec-9-enoic acid - N,N-dimethylhexadecan-1-amine (1:1)",CCCCCCCCCCCCCCCCN(C)C.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCCCCCCCCCCN(C)C.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C18H39N.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-18H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C18H39N.C18H34O2,,,,,,LDQUQVWBPCWXJT-SVMKZPJVSA-N,,,,,,,,,,,
100.067.473,274-244-3,69986-99-8,"6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 21-pivalate","6-fluoro-17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl pivalate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,"InChI=1/C27H35FO5/c1-15-11-19-17-13-21(28)20-12-16(29)7-9-25(20,5)18(17)8-10-26(19,6)27(15,32)22(30)14-33-23(31)24(2,3)4/h7-9,12,15,17,19,21,32H,10-11,13-14H2,1-6H3",C27H35FO5,,,,,,XIUGFPMMENKQMK-NEAAHKHISA-N,,,,,,,,,,,
100.069.231,276-177-5,71913-07-0,"3,3'-propylenebis-10H-phenothiazine","3,3'-propane-1,2-diylbis(10H-phenothiazine)",CC(Cc1ccc2Nc3ccccc3Sc2c1)c4ccc5Nc6ccccc6Sc5c4,CC(Cc1ccc2Nc3ccccc3Sc2c1)c4ccc5Nc6ccccc6Sc5c4,"InChI=1/C27H22N2S2/c1-17(19-11-13-23-27(16-19)31-25-9-5-3-7-21(25)29-23)14-18-10-12-22-26(15-18)30-24-8-4-2-6-20(24)28-22/h2-13,15-17,28-29H,14H2,1H3",C27H22N2S2,,,,,,JDIHUWWOVUQTGB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.232,276-178-0,71913-08-1,"Methyl hydrogen bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate",3-(methoxycarbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylic acid,COC(=O)C1=C(C2CCC1C2)C(=O)O,COC(=O)C1=C(C2CCC1C2)C(=O)O,"InChI=1/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-6H,2-4H2,1H3,(H,11,12)",C10H12O4,,,,,,KONDLVQKCUJIEN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.235,276-181-7,71913-12-7,"4,5-dihydro-2-(9-octadecenyl)-1H-imidazole","2-octadec-9-en-1-yl-4,5-dihydro-1H-imidazole",CCCCCCCCC=CCCCCCCCCC=1NCCN=1,CCCCCCCCC=CCCCCCCCCC=1NCCN=1,"InChI=1/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21/h9-10H,2-8,11-20H2,1H3,(H,22,23)",C21H40N2,,,,,,QULUVEPNTKJBMR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.237,276-183-8,71923-01-8,"4-(4-chlorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-one dihydrochloride","4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one dihydrochloride",Cl.Cl.Clc1ccc(cc1)C2=C(CCN3CCN(CC3)c4ccccc4)OC(=O)O2,Cl.Cl.Clc1ccc(cc1)C2=C(CCN3CCN(CC3)c4ccccc4)OC(=O)O2,"InChI=1/C21H21ClN2O3.2ClH/c22-17-8-6-16(7-9-17)20-19(26-21(25)27-20)10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18;;/h1-9H,10-15H2;2*1H",C21H21ClN2O3.2ClH,,,,,,ZUCYXPFLHXXOFU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.241,276-188-5,71929-15-2,"Disodium 1-[2-(2-carboxyethoxy)ethyl]-1-(2-carboxyethyl)-2-(heptadecadienyl)-4,5-dihydro-1H-imidazolium hydroxide",-,[Na+].[Na+].[OH-].OC(=O)CC[N+]1(CCOCCC(O)=O)CC\\N=C1\\C=CC=CCCCCCCCCCCCCC,[Na+].[Na+].[OH-].OC(=O)CC[N+]1(CCOCCC(O)=O)CC\N=C1\C=CC=CCCCCCCCCCCCCC,"InChI=1/C28H48N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-29-20-22-30(26,21-18-27(31)32)23-25-35-24-19-28(33)34;;;/h14-17H,2-13,18-25H2,1H3,(H-,31,32,33,34);;;1H2/q;2*+1;",C28H49N2O5.HO.2Na,,,,,,UYDRRBVTRNQJGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.368,273-027-0,68928-63-2,3-[4-(1-methyl-1-phenylethyl)phenoxy]propyltrimethylammonium chloride,"N,N,N-trimethyl-3-[4-(1-methyl-1-phenylethyl)phenoxy]propan-1-aminium chloride",[Cl-].CC(C)(c1ccccc1)c2ccc(OCCC[N+](C)(C)C)cc2,[Cl-].CC(C)(c1ccccc1)c2ccc(OCCC[N+](C)(C)C)cc2,"InChI=1/C21H30NO.ClH/c1-21(2,18-10-7-6-8-11-18)19-12-14-20(15-13-19)23-17-9-16-22(3,4)5;/h6-8,10-15H,9,16-17H2,1-5H3;1H/q+1;/p-1",C21H30NO.Cl,,,,,,NXALIGSWMVWYHB-UHFFFAOYSA-M,,,,,,,,,,,
100.067.880,274-691-4,70598-48-0,4-chloro-2-ethyl-6-methylaniline,4-chloro-2-ethyl-6-methylaniline,CCc1cc(Cl)cc(C)c1N,CCc1cc(Cl)cc(C)c1N,"InChI=1/C9H12ClN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3",C9H12ClN,,,,,,WEGUQBDLWKTMOD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.882,274-694-0,70609-64-2,Sodium N-(1-oxododecyl)-L-serinate,sodium 2-(dodecanoylamino)-3-hydroxypropanoate,[Na+].CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-],"InChI=1/C15H29NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-14(18)16-13(12-17)15(19)20;/h13,17H,2-12H2,1H3,(H,16,18)(H,19,20);/q;+1/p-1",C15H29NO4.Na,,,,,,WSGBFSXSXAKJJC-ZOWNYOTGSA-M,,,,,,,,,,,
100.067.894,274-706-4,70632-07-4,"Trisodium 4-amino-5-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-({4'-[(4-hydroxyphenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(O)cc5)c(OC)c6,[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(O)cc5)c(OC)c6,"InChI=1/C36H29N7O13S3.3Na/c1-55-28-15-19(3-13-26(28)40-38-22-5-9-24(44)10-6-22)20-4-14-27(29(16-20)56-2)41-42-34-30(58(49,50)51)17-21-18-31(59(52,53)54)35(36(45)32(21)33(34)37)43-39-23-7-11-25(12-8-23)57(46,47)48;;;/h3-18,44-45H,37H2,1-2H3,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C36H29N7O13S3.3Na,,,,,,UFFIYJABIVVDGX-UHFFFAOYSA-K,,,,,,,,,,,
100.091.813,301-039-9,93980-61-1,"Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate",2-hydroxy-2-[2-oxo-2-(tetradecyloxy)ethyl]succinic acid,CCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,CCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C20H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-18(23)16-20(26,19(24)25)15-17(21)22/h26H,2-16H2,1H3,(H,21,22)(H,24,25)",C20H36O7,,,,,,AINUDUZWTSLGMN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.185,275-027-6,70931-08-7,2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]-N-methylacetamide,2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]-N-methylacetamide,CN(C(=O)CBr)c1ccc(cc1C(=O)c2ccccc2F)[N+](=O)[O-],CN(C(=O)CBr)c1ccc(cc1C(=O)c2ccccc2F)[N+](=O)[O-],"InChI=1/C16H12BrFN2O4/c1-19(15(21)9-17)14-7-6-10(20(23)24)8-12(14)16(22)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3",C16H12BrFN2O4,,,,,,XVSYYXIAMSDAFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.192,275-034-4,70942-27-7,"2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide","2-(2-{[5-bromo-3-(2-carboxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1ccc(Br)cc1N2CCC(O)=O,[I-].CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1ccc(Br)cc1N2CCC(O)=O,"InChI=1/C26H27BrN2O2S2.HI/c1-5-18(13-24-28(6-2)20-11-16(3)17(4)12-23(20)33-24)14-25-29(10-9-26(30)31)21-15-19(27)7-8-22(21)32-25;/h7-8,11-15H,5-6,9-10H2,1-4H3;1H",C26H28BrN2O2S2.I,,,,,,ZDHQPVVLXPNUHD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.198,275-041-2,70942-34-6,"Dimethyl 10,10-dibutyl-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecanedioate","dimethyl 10,10-dibutyl-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecane-1,19-dioate",CCCC[Sn](CCCC)(SCCOC(=O)CCCC(=O)OC)SCCOC(=O)CCCC(=O)OC,CCCC[Sn](CCCC)(SCCOC(=O)CCCC(=O)OC)SCCOC(=O)CCCC(=O)OC,"InChI=1/2C8H14O4S.2C4H9.Sn/c2*1-11-7(9)3-2-4-8(10)12-5-6-13;2*1-3-4-2;/h2*13H,2-6H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H44O8S2Sn/c1-5-7-19-35(20-8-6-2,33-17-15-31-23(27)13-9-11-21(25)29-3)34-18-16-32-24(28)14-10-12-22(26)30-4/h5-20H2,1-4H3",C24H44O8S2Sn,,,,,,DDOSXFUHHQGQCG-UHFFFAOYSA-L,,,,,,,,,,,
100.062.962,269-279-6,68213-99-0,"Disodium 9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonate","disodium 9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3cccc(c3C(=O)c2c1)S(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3cccc(c3C(=O)c2c1)S(=O)(=O)[O-],"InChI=1/C14H8O8S2.2Na/c15-13-8-5-4-7(23(17,18)19)6-10(8)14(16)12-9(13)2-1-3-11(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H8O8S2.2Na,,,,,,WBSILKUGGXQRHN-UHFFFAOYSA-L,,,,,,,,,,,
100.062.970,269-288-5,68214-08-4,"2-[(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]isothiourea monohydrochloride","(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl imidothiocarbamate hydrochloride",Cl.Cc1cc(O)n2nc(CSC(=N)N)nc2n1,Cl.Cc1cc(O)n2nc(CSC(=N)N)nc2n1,"InChI=1/C8H10N6OS.ClH/c1-4-2-6(15)14-8(11-4)12-5(13-14)3-16-7(9)10;/h2,15H,3H2,1H3,(H3,9,10);1H",C8H10N6OS.ClH,,,,,,JQYFGNGRYWMPEW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.978,269-296-9,68214-52-8,N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate,N-{2-[bis(3-amino-3-oxopropyl)amino]ethyl}-N-[2-(stearoylamino)ethyl]octadecanamide acetate (non-preferred name),CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(=O)N)CCC(=O)N)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(=O)N)CCC(=O)N)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C46H91N5O4.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)49-37-40-51(42-41-50(38-35-43(47)52)39-36-44(48)53)46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-42H2,1-2H3,(H2,47,52)(H2,48,53)(H,49,54);1H3,(H,3,4)",C46H91N5O4.C2H4O2,,,,,,BEGABRDNXCRDEU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.981,269-300-9,68214-56-2,"Disodium 8-[[3-[(ethylphenylamino)sulphonyl]-4-methylphenyl]azo]-7-hydroxynaphthalene-1,3-disulphonate","disodium 8-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C25H23N3O9S3.2Na/c1-3-28(19-7-5-4-6-8-19)38(30,31)22-14-18(11-9-16(22)2)26-27-25-21(29)12-10-17-13-20(39(32,33)34)15-23(24(17)25)40(35,36)37;;/h4-15,29H,3H2,1-2H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C25H23N3O9S3.2Na,,,,,,PAADLUNUXAUQFN-UHFFFAOYSA-L,,,,,,,,,,,
100.062.982,269-301-4,68214-59-5,"1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-1,3'-bipyridinium malate","6'-hydroxy-4'-methyl-2'-oxo-5'-(phenyldiazenyl)-1',2'-dihydro-1,3'-bipyridinium malate",O=C3[NH2+]C(\\O)=C(\\N=Nc1ccccc1)C(\\C)=C3\\[n+]2ccccc2.[O-]C(=O)CC(O)C([O-])=O,O=C3[NH2+]C(\O)=C(\N=Nc1ccccc1)C(\C)=C3\[n+]2ccccc2.[O-]C(=O)CC(O)C([O-])=O,"InChI=1/C17H14N4O2.C4H6O5/c1-12-14(20-19-13-8-4-2-5-9-13)16(22)18-17(23)15(12)21-10-6-3-7-11-21;5-2(4(8)9)1-3(6)7/h2-11H,1H3,(H-,18,19,22,23);2,5H,1H2,(H,6,7)(H,8,9)",C17H15N4O2.C4H5O5,,,,,,SRVTVXCADDRHGS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.983,269-303-5,68214-61-9,"5'-[(2,5-dichlorophenyl)azo]-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridinium malate","5'-[(2,5-dichlorophenyl)diazenyl]-6'-hydroxy-4'-methyl-2'-oxo-1',2'-dihydro-1,3'-bipyridinium malate",O=C3[NH2+]C(\\O)=C(\\N=Nc1cc(Cl)ccc1Cl)C(\\C)=C3\\[n+]2ccccc2.[O-]C(=O)CC(O)C([O-])=O,O=C3[NH2+]C(\O)=C(\N=Nc1cc(Cl)ccc1Cl)C(\C)=C3\[n+]2ccccc2.[O-]C(=O)CC(O)C([O-])=O,"InChI=1/C17H12Cl2N4O2.C4H6O5/c1-10-14(22-21-13-9-11(18)5-6-12(13)19)16(24)20-17(25)15(10)23-7-3-2-4-8-23;5-2(4(8)9)1-3(6)7/h2-9H,1H3,(H-,20,21,24,25);2,5H,1H2,(H,6,7)(H,8,9)",C17H13Cl2N4O2.C4H5O5,,,,,,AADDTEHKDBQTDE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.316,286-178-2,85187-89-9,"4-[[(2,3-dihydro-2-methyl-1H-indol-1-yl)imino]methyl]-1-methylquinolinium sulphate (2:1)","bis(1-methyl-4-{[(2-methyl-2,3-dihydro-1H-indol-1-yl)imino]methyl}quinolinium) sulfate",[O-]S([O-])(=O)=O.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34,[O-]S([O-])(=O)=O.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34,"InChI=1/2C20H20N3.H2O4S/c2*1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20;1-5(2,3)4/h2*3-12,14-15H,13H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",C20H20N3.1/2O4S,,,,,,RKPKQBWXCAPEGM-UHFFFAOYSA-L,,,,,,,,,,,
100.078.319,286-181-9,85187-92-4,"Benzyl[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]dimethylammonium acetate","N-benzyl-2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N-dimethylethanaminium acetate",[O-]C(C)=O.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4,[O-]C(C)=O.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4,"InChI=1/C28H33N6S.C2H4O2/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-2(3)4/h6-17,20H,5,18-19,21H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C28H33N6S.C2H3O2,,,,,,YKLXSRNQMPUILI-UHFFFAOYSA-M,,,,,,,,,,,
100.088.175,297-036-4,93316-16-6,2-acetyl-10-propionyl-10H-phenothiazine,1-(10-propionyl-10H-phenothiazin-2-yl)ethanone,CCC(=O)N1c2ccccc2Sc3ccc(cc13)C(=O)C,CCC(=O)N1c2ccccc2Sc3ccc(cc13)C(=O)C,"InChI=1/C17H15NO2S/c1-3-17(20)18-13-6-4-5-7-15(13)21-16-9-8-12(11(2)19)10-14(16)18/h4-10H,3H2,1-2H3",C17H15NO2S,,,,,,XMNZNKBUXUDDDY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.029,299-079-4,93843-02-8,Isopropyl 3-(4-aminobenzoyl)propionate hydrochloride,isopropyl 4-(4-aminophenyl)-4-oxobutanoate hydrochloride,Cl.CC(C)OC(=O)CCC(=O)c1ccc(N)cc1,Cl.CC(C)OC(=O)CCC(=O)c1ccc(N)cc1,"InChI=1/C13H17NO3.ClH/c1-9(2)17-13(16)8-7-12(15)10-3-5-11(14)6-4-10;/h3-6,9H,7-8,14H2,1-2H3;1H",C13H17NO3.ClH,,,,,,YVKJHVBLLDCFIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.054,299-107-5,93843-27-7,Bis[2-(diethylamino)ethyl] tetrapropenylsuccinate,bis[2-(diethylamino)ethyl] tetraprop-1-en-1-ylsuccinate,CCN(CCOC(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C(=O)OCCN(CC)CC)CC,CCN(CCOC(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C(=O)OCCN(CC)CC)CC,"InChI=1/C28H48N2O4/c1-9-17-27(18-10-2,25(31)33-23-21-29(13-5)14-6)28(19-11-3,20-12-4)26(32)34-24-22-30(15-7)16-8/h9-12,17-20H,13-16,21-24H2,1-8H3",C28H54N2O4,,,,,,JRINUDKUYYDBPW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.069,299-123-2,93856-89-4,Diethyl[2-[3-(p-methoxyphenyl)-2-phenylpropionyloxy]ethyl]ammonium oleate,"N,N-diethyl-2-{[3-(4-methoxyphenyl)-2-phenylpropanoyl]oxy}ethanaminium octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CC[NH+](CC)CCOC(=O)C(Cc1ccc(OC)cc1)c2ccccc2,CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CC[NH+](CC)CCOC(=O)C(Cc1ccc(OC)cc1)c2ccccc2,"InChI=1/C22H29NO3.C18H34O2/c1-4-23(5-2)15-16-26-22(24)21(19-9-7-6-8-10-19)17-18-11-13-20(25-3)14-12-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-14,21H,4-5,15-17H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C22H29NO3.C18H34O2,,,,,,LHFUHUWGYXOKFS-SVMKZPJVSA-N,,,,,,,,,,,
100.078.332,286-196-0,85188-05-2,"Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium sulphate (2:1)","bis[N-(4-{[4'-(dimethylamino)biphenyl-2-yl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium] sulfate",CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3.CN(C)c4ccc(cc4)c5ccccc5C=C6C=CC(=[N+](C)C)C=C6.[O-]S(=O)(=O)[O-],CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3.CN(C)c4ccc(cc4)c5ccccc5C=C6C=CC(=[N+](C)C)C=C6.[O-]S(=O)(=O)[O-],"InChI=1/2C23H25N2.H2O4S/c2*1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;1-5(2,3)4/h2*5-17H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C23H25N2.1/2O4S,,,,,,WGNZNVVTJXYDSZ-UHFFFAOYSA-L,,,,,,,,,,,
100.078.341,286-205-8,85188-15-4,"Tetrasodium 4,4'-bis[[2-methoxy-4-[(4-methoxy-3-sulphonatophenyl)azo]-5-methylphenyl]azo]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({2-methoxy-4-[(4-methoxy-3-sulfonatophenyl)diazenyl]-5-methylphenyl}diazenyl)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc1ccc(OC)c(c1)S([O-])(=O)=O)c(C)cc6N=Nc5ccc(/C=C/c4ccc(N=Nc3cc(C)c(N=Nc2ccc(OC)c(c2)S([O-])(=O)=O)cc3OC)cc4S([O-])(=O)=O)c(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc1ccc(OC)c(c1)S([O-])(=O)=O)c(C)cc6N=Nc5ccc(/C=C/c4ccc(N=Nc3cc(C)c(N=Nc2ccc(OC)c(c2)S([O-])(=O)=O)cc3OC)cc4S([O-])(=O)=O)c(c5)S([O-])(=O)=O,"InChI=1/C44H40N8O16S4.4Na/c1-25-17-35(39(67-5)23-33(25)49-45-31-13-15-37(65-3)43(21-31)71(59,60)61)51-47-29-11-9-27(41(19-29)69(53,54)55)7-8-28-10-12-30(20-42(28)70(56,57)58)48-52-36-18-26(2)34(24-40(36)68-6)50-46-32-14-16-38(66-4)44(22-32)72(62,63)64;;;;/h7-24H,1-6H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4",C44H40N8O16S4.4Na,,,,,,XLIHSGGDQBSOBC-KIYMPRSLSA-J,,,,,,,,,,,
100.090.072,299-126-9,93856-92-9,3-allyl-1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea,1-allyl-3-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea,OCC(NC(=S)NCC=C)C(O)c1ccc(cc1)[N+](=O)[O-],OCC(NC(=S)NCC=C)C(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C13H17N3O4S/c1-2-7-14-13(21)15-11(8-17)12(18)9-3-5-10(6-4-9)16(19)20/h2-6,11-12,17-18H,1,7-8H2,(H2,14,15,21)",C13H17N3O4S,,,,,,TWJSRGVAULVARB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.079,299-134-2,93856-99-6,"7-methoxy-a,10-dimethyl-10H-phenothiazine-2-acetaldehyde",2-(7-methoxy-10-methyl-10H-phenothiazin-2-yl)propanal,COc1ccc2N(C)c3cc(ccc3Sc2c1)C(C)C=O,COc1ccc2N(C)c3cc(ccc3Sc2c1)C(C)C=O,"InChI=1/C17H17NO2S/c1-11(10-19)12-4-7-16-15(8-12)18(2)14-6-5-13(20-3)9-17(14)21-16/h4-11H,1-3H3",C17H17NO2S,,,,,,XKENBZAHEKKCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.067.996,274-818-3,70715-16-1,(chloromethyl)decyldimethylsilane,(chloromethyl)(decyl)dimethylsilane,CCCCCCCCCC[Si](C)(C)CCl,CCCCCCCCCC[Si](C)(C)CCl,"InChI=1/C13H29ClSi/c1-4-5-6-7-8-9-10-11-12-15(2,3)13-14/h4-13H2,1-3H3",C13H29ClSi,,,,,,ZJQQABUOLGYXCA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.998,274-820-4,70715-19-4,2-(2-isopropoxyethyl)pyridine,2-(2-isopropoxyethyl)pyridine,CC(C)OCCc1ccccn1,CC(C)OCCc1ccccn1,"InChI=1/C10H15NO/c1-9(2)12-8-6-10-5-3-4-7-11-10/h3-5,7,9H,6,8H2,1-2H3",C10H15NO,,,,,,PFQFWWAQORECNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.260,276-209-8,71960-75-3,"3-[2-hydroxy-3-(4-nonylphenoxy)propoxy]propane-1,2-diol","3-[2-hydroxy-3-(4-nonylphenoxy)propoxy]propane-1,2-diol",CCCCCCCCCc1ccc(OCC(O)COCC(O)CO)cc1,CCCCCCCCCc1ccc(OCC(O)COCC(O)CO)cc1,"InChI=1/C21H36O5/c1-2-3-4-5-6-7-8-9-18-10-12-21(13-11-18)26-17-20(24)16-25-15-19(23)14-22/h10-13,19-20,22-24H,2-9,14-17H2,1H3",C21H36O5,,,,,,NPQZNYMAMRLSCW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.271,276-221-3,71965-02-1,Anilinium toluenesulphonate,anilinium 2-methylbenzenesulfonate,Cc1ccccc1S(=O)(=O)[O-].[NH3+]c2ccccc2,Cc1ccccc1S(=O)(=O)[O-].[NH3+]c2ccccc2,"InChI=1/C7H8O3S.C6H7N/c1-6-4-2-3-5-7(6)11(8,9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9,10);1-5H,7H2",C7H8O3S.C6H7N,,,,,,CUMPYBMVGICTRY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.273,276-223-4,71965-04-3,4-amino-N-phenyltoluene-3-sulphonamide,2-amino-5-methyl-N-phenylbenzenesulfonamide,Cc1ccc(N)c(c1)S(=O)(=O)Nc2ccccc2,Cc1ccc(N)c(c1)S(=O)(=O)Nc2ccccc2,"InChI=1/C13H14N2O2S/c1-10-7-8-12(14)13(9-10)18(16,17)15-11-5-3-2-4-6-11/h2-9,15H,14H2,1H3",C13H14N2O2S,,,,,,BIXYENQGVAOIJE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.275,276-226-0,71965-06-5,"1,2,3,6-tetrahydro-4-(p-tolyl)pyridinium chloride","4-(4-methylphenyl)-1,2,3,6-tetrahydropyridinium chloride",[Cl-].Cc1ccc(cc1)C2=CC[NH2+]CC2,[Cl-].Cc1ccc(cc1)C2=CC[NH2+]CC2,"InChI=1/C12H15N.ClH/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;/h2-6,13H,7-9H2,1H3;1H",C12H15N.ClH,,,,,,QZVMFWDPMROZEK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.278,276-229-7,71965-09-8,"(2,4,6-trichlorophenyl)hydrazinium sulphate (1:1)",-,N[NH2+]c1c(Cl)cc(Cl)cc1Cl.[O-]S(=O)(=O)[O-],N[NH2+]c1c(Cl)cc(Cl)cc1Cl.[O-]S(=O)(=O)[O-],"InChI=1/C6H5Cl3N2.H2O4S/c7-3-1-4(8)6(11-10)5(9)2-3;1-5(2,3)4/h1-2,11H,10H2;(H2,1,2,3,4)/p-1",C6H5Cl3N2.H2O4S,,,,,,LXJKAYIKPLXFKH-UHFFFAOYSA-M,,,,,,,,,,,
100.069.283,276-234-4,71965-14-5,Titanium tetradodecanolate,titanium tetradodecanolate,[Ti+2].[Ti+2].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-],[Ti+2].[Ti+2].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-].CCCCCCCCCCCC[O-],"InChI=1/4C12H25O.2Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13;;/h4*2-12H2,1H3;;/q4*-1;2*+2",C12H26O.1/4Ti,,,,,,UQTHLBZJLMIOQI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.284,276-236-5,71965-15-6,Titanium(4+) 2-ethoxyethanolate,titanium(4+) tetrakis(2-ethoxyethanolate),[Ti+4].CCOCC[O-].CCOCC[O-].CCOCC[O-].CCOCC[O-],[Ti+4].CCOCC[O-].CCOCC[O-].CCOCC[O-].CCOCC[O-],"InChI=1/4C4H9O2.Ti/c4*1-2-6-4-3-5;/h4*2-4H2,1H3;/q4*-1;+4",C4H10O2.1/4Ti,,,,,,VYAFFHVUTBDKTB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.910,271-422-2,68555-31-7,<U+03B3>-methylbenzenehexanenitrile,4-methyl-6-phenylhexanenitrile,CC(CCC#N)CCc1ccccc1,CC(CCC#N)CCc1ccccc1,"InChI=1/C13H17N/c1-12(6-5-11-14)9-10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3",C13H17N,,,,,,MJQFJAHXUKARCW-UHFFFAOYSA-N,,,,,,,,,,,
100.064.912,271-424-3,68555-33-9,"4,4,6-trimethyl-2-[4-(1-methylethyl)phenyl]-1,3-dioxane","2-(4-isopropylphenyl)-4,4,6-trimethyl-1,3-dioxane",CC(C)c1ccc(cc1)C2OC(C)CC(C)(C)O2,CC(C)c1ccc(cc1)C2OC(C)CC(C)(C)O2,"InChI=1/C16H24O2/c1-11(2)13-6-8-14(9-7-13)15-17-12(3)10-16(4,5)18-15/h6-9,11-12,15H,10H2,1-5H3",C16H24O2,,,,,,PDVNVZULPFBIIB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.914,271-426-4,68555-40-8,3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-5-methoxybenzoselenazolium iodide,"3-ethyl-2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-methoxy-1,3-benzoselenazol-3-ium iodide",[I-].CC[n+]3c4cc(OC)ccc4[se]c3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC,[I-].CC[n+]3c4cc(OC)ccc4[se]c3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC,-,C25H29N2O2Se2.I,,,,,,ASRVKUKDAHSKCZ-UHFFFAOYSA-M,,,,,,,,,,,
100.064.921,271-434-8,68555-58-8,3-methyl-2-butenyl salicylate,3-methylbut-2-en-1-yl salicylate,CC(=CCOC(=O)c1ccccc1O)C,CC(=CCOC(=O)c1ccccc1O)C,"InChI=1/C12H14O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7,13H,8H2,1-2H3",C12H14O3,,,,,,MCAYDAOGSVHGEE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.923,271-436-9,68555-60-2,3-methylbutyl oct-2-ynoate,3-methylbutyl oct-2-ynoate,CCCCCC#CC(=O)OCCC(C)C,CCCCCC#CC(=O)OCCC(C)C,"InChI=1/C13H22O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-7,10-11H2,1-3H3",C13H22O2,,,,,,OTJSOSMJTUKXJR-UHFFFAOYSA-N,,,,,,,,,,,
100.064.928,271-442-1,68555-65-7,"(2E,6Z)-nona-2,6-dienyl acetate","nona-2,6-dien-1-yl acetate",CC\\C=C/CC\\C=C\\COC(=O)C,CC\C=C/CC\C=C\COC(=O)C,"InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3",C11H18O2,,,,,,UHONGPVFPQQOSO-FTGFODROSA-N,,,,,,,,,,,
100.067.895,274-708-5,70632-08-5,"Trisodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4'-[(2-amino-4-hydroxyphenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(O)cc5N)c(OC)c6,[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc(O)cc5N)c(OC)c6,"InChI=1/C36H30N8O13S3.3Na/c1-56-28-13-18(3-10-26(28)41-40-25-12-7-22(45)17-24(25)37)19-4-11-27(29(14-19)57-2)42-43-34-30(59(50,51)52)15-20-16-31(60(53,54)55)35(36(46)32(20)33(34)38)44-39-21-5-8-23(9-6-21)58(47,48)49;;;/h3-17,45-46H,37-38H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C36H30N8O13S3.3Na,,,,,,ZRUCDQANWKQELY-UHFFFAOYSA-K,,,,,,,,,,,
100.067.896,274-709-0,70632-09-6,"Dilithium 5-[[4'-[[2,6-diamino-3-[(4-sulphonatophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate","dilithium 5-{[4'-({2,6-diamino-3-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-3,3'-dimethylbiphenyl-4-yl]diazenyl}-2-hydroxybenzoate",[Li+].[Li+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(N)ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N)c(C)c5,[Li+].[Li+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(N)ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N)c(C)c5,"InChI=1/C33H28N8O6S.2Li/c1-18-15-20(3-11-27(18)38-37-23-7-14-30(42)25(17-23)33(43)44)21-4-12-28(19(2)16-21)39-41-32-26(34)10-13-29(31(32)35)40-36-22-5-8-24(9-6-22)48(45,46)47;;/h3-17,42H,34-35H2,1-2H3,(H,43,44)(H,45,46,47);;/q;2*+1/p-2",C33H28N8O6S.2Li,,,,,,PCIVUQFBACAUBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.067.901,274-714-8,70644-45-0,2-(2-propoxyethyl)pyridine,2-(2-propoxyethyl)pyridine,CCCOCCc1ccccn1,CCCOCCc1ccccn1,"InChI=1/C10H15NO/c1-2-8-12-9-6-10-5-3-4-7-11-10/h3-5,7H,2,6,8-9H2,1H3",C10H15NO,,,,,,ZLJMIUFTLBIOEK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.905,274-719-5,70644-49-4,Ethyl 3-methylpiperidine-1-propionate,ethyl 3-(3-methylpiperidin-1-yl)propanoate,CCOC(=O)CCN1CCCC(C)C1,CCOC(=O)CCN1CCCC(C)C1,"InChI=1/C11H21NO2/c1-3-14-11(13)6-8-12-7-4-5-10(2)9-12/h10H,3-9H2,1-2H3",C11H21NO2,,,,,,AATMBDYQEPKVEN-UHFFFAOYSA-N,,,,,,,,,,,
100.067.907,274-721-6,70650-96-3,"3,2':6',3''-terpyridine","3,2':6',3''-terpyridine",c1cncc(c1)c2cccc(n2)c3cccnc3,c1cncc(c1)c2cccc(n2)c3cccnc3,InChI=1/C15H11N3/c1-6-14(12-4-2-8-16-10-12)18-15(7-1)13-5-3-9-17-11-13/h1-11H,C15H11N3,,,,,,KAZLMTSNKVMZLA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.630,275-516-4,71486-44-7,"Lauric acid, compound with N-methylcyclohexylamine (1:1)",dodecanoic acid - N-methylcyclohexanamine (1:1),CCCCCCCCCCCC(=O)O.CNC1CCCCC1,CCCCCCCCCCCC(=O)O.CNC1CCCCC1,"InChI=1/C12H24O2.C7H15N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-8-7-5-3-2-4-6-7/h2-11H2,1H3,(H,13,14);7-8H,2-6H2,1H3",C12H24O2.C7H15N,,,,,,SOZLPIWIUPNDLT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.631,275-518-5,71486-45-8,"Octanoic acid, compound with N-methylcyclohexylamine (1:1)",octanoic acid - N-methylcyclohexanamine (1:1),CCCCCCCC(=O)O.CNC1CCCCC1,CCCCCCCC(=O)O.CNC1CCCCC1,"InChI=1/C8H16O2.C7H15N/c1-2-3-4-5-6-7-8(9)10;1-8-7-5-3-2-4-6-7/h2-7H2,1H3,(H,9,10);7-8H,2-6H2,1H3",C8H16O2.C7H15N,,,,,,UMJZYHQXCGYKRE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.637,275-524-8,71486-51-6,Methyl a-[2-(aminocarbonyl)phenoxy]furan-2-acetate,methyl (2-carbamoylphenoxy)(2-furyl)acetate,COC(=O)C(Oc1ccccc1C(=O)N)c2occc2,COC(=O)C(Oc1ccccc1C(=O)N)c2occc2,"InChI=1/C14H13NO5/c1-18-14(17)12(11-7-4-8-19-11)20-10-6-3-2-5-9(10)13(15)16/h2-8,12H,1H3,(H2,15,16)",C14H13NO5,,,,,,NZGLPWKKPRXQTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.646,275-534-2,71487-10-0,(2-acetoxyethyl)(2-cyanoethyl)phenylammonium acetate,N-(2-acetoxyethyl)-N-(2-cyanoethyl)anilinium acetate,CC(=O)[O-].CC(=O)OCC[NH+](CCC#N)c1ccccc1,CC(=O)[O-].CC(=O)OCC[NH+](CCC#N)c1ccccc1,"InChI=1/C13H16N2O2.C2H4O2/c1-12(16)17-11-10-15(9-5-8-14)13-6-3-2-4-7-13;1-2(3)4/h2-4,6-7H,5,9-11H2,1H3;1H3,(H,3,4)",C13H16N2O2.C2H4O2,,,,,,QFTRNUOMNHYMPK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.648,275-536-3,71500-37-3,"Allyl 3,5,5-trimethylhexanoate","allyl 3,5,5-trimethylhexanoate",CC(CC(=O)OCC=C)CC(C)(C)C,CC(CC(=O)OCC=C)CC(C)(C)C,"InChI=1/C12H22O2/c1-6-7-14-11(13)8-10(2)9-12(3,4)5/h6,10H,1,7-9H2,2-5H3",C12H22O2,,,,,,NSXNWIWVNIJLHK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.649,275-537-9,71500-40-8,"2,2'-[(5-amino-2-methoxyphenyl)imino]bisethanol","2,2'-[(5-amino-2-methoxyphenyl)imino]diethanol",COc1ccc(N)cc1N(CCO)CCO,COc1ccc(N)cc1N(CCO)CCO,"InChI=1/C11H18N2O3/c1-16-11-3-2-9(12)8-10(11)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7,12H2,1H3",C11H18N2O3,,,,,,XQLSOIDBDQGCNO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.654,275-543-1,71501-11-6,4'-bromo-4-(4-bromophenyl)butyrophenone,"1,4-bis(4-bromophenyl)butan-1-one",Brc1ccc(CCCC(=O)c2ccc(Br)cc2)cc1,Brc1ccc(CCCC(=O)c2ccc(Br)cc2)cc1,"InChI=1/C16H14Br2O/c17-14-8-4-12(5-9-14)2-1-3-16(19)13-6-10-15(18)11-7-13/h4-11H,1-3H2",C16H14Br2O,,,,,,XWLXFOHOTCVERQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.274,274-024-7,69511-01-9,"Trisodium 5-[(6-chloro-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[(6-chloro-4-oxo-1,4-dihydro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].O=C/4/N=C(/Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)NC(\\Cl)=N\\4,[Na+].[Na+].[Na+].O=C/4/N=C(/Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)NC(\Cl)=N\4,"InChI=1/C19H13ClN6O11S3.3Na/c20-17-22-18(24-19(28)23-17)21-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(27)14(8)11)26-25-10-3-1-2-4-12(10)39(32,33)34;;;/h1-7,27H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H2,21,22,23,24,28);;;/q;3*+1/p-3",C19H13ClN6O11S3.3Na,,,,,,PIYUPAFIPRFNDX-UHFFFAOYSA-K,,,,,,,,,,,
100.062.984,269-304-0,68214-62-0,"Sodium 2-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]-5-ethoxybenzenesulphonate","sodium 2-{[4-(cyclohexylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-5-ethoxybenzenesulfonate",[Na+].CCOc1ccc(Nc2ccc(NC3CCCCC3)c4C(=O)c5ccccc5C(=O)c24)c(c1)S(=O)(=O)[O-],[Na+].CCOc1ccc(Nc2ccc(NC3CCCCC3)c4C(=O)c5ccccc5C(=O)c24)c(c1)S(=O)(=O)[O-],"InChI=1/C28H28N2O6S.Na/c1-2-36-18-12-13-21(24(16-18)37(33,34)35)30-23-15-14-22(29-17-8-4-3-5-9-17)25-26(23)28(32)20-11-7-6-10-19(20)27(25)31;/h6-7,10-17,29-30H,2-5,8-9H2,1H3,(H,33,34,35);/q;+1/p-1",C28H28N2O6S.Na,,,,,,CXWFCOOJXJFGKX-UHFFFAOYSA-M,,,,,,,,,,,
100.062.992,269-312-4,68214-73-3,"2,3-dihydro-N-methyl-2-oxobenzoxazole-5-sulphonamide","N-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide",CNS(=O)(=O)c1ccc2OC(=O)Nc2c1,CNS(=O)(=O)c1ccc2OC(=O)Nc2c1,"InChI=1/C8H8N2O4S/c1-9-15(12,13)5-2-3-7-6(4-5)10-8(11)14-7/h2-4,9H,1H3,(H,10,11)",C8H8N2O4S,,,,,,IBUATCUYHGPTHF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.994,269-315-0,68214-75-5,2-[[(5-amino-2-tolyl)sulphonyl]amino]benzoic acid,2-{[(5-amino-2-methylphenyl)sulfonyl]amino}benzoic acid,Cc1ccc(N)cc1S(=O)(=O)Nc2ccccc2C(=O)O,Cc1ccc(N)cc1S(=O)(=O)Nc2ccccc2C(=O)O,"InChI=1/C14H14N2O4S/c1-9-6-7-10(15)8-13(9)21(19,20)16-12-5-3-2-4-11(12)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)",C14H14N2O4S,,,,,,XWVZYCCHMHNKOM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.995,269-316-6,68214-76-6,"Propane-1-sulphonic acid, compound with pyridine (1:1)",propane-1-sulfonic acid - pyridine (1:1),CCCS(=O)(=O)O.c1ccncc1,CCCS(=O)(=O)O.c1ccncc1,"InChI=1/C5H5N.C3H8O3S/c1-2-4-6-5-3-1;1-2-3-7(4,5)6/h1-5H;2-3H2,1H3,(H,4,5,6)",C5H5N.C3H8O3S,,,,,,XSUMSESCSPMNPN-UHFFFAOYSA-N,,,,,,,,,,,
100.066.464,273-132-1,68938-60-3,"1-ethyl-2-(2-heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate",1-ethyl-2-heptadec-2-en-1-yl-3-(2-hydroxyethyl)imidazolidin-1-ium ethyl sulfate,OCCN1CC[NH+](CC)C1CC=CCCCCCCCCCCCCCC.[O-]S(=O)(=O)OCC,OCCN1CC[NH+](CC)C1CC=CCCCCCCCCCCCCCC.[O-]S(=O)(=O)OCC,"InChI=1/C24H48N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h17-18,24,27H,3-16,19-23H2,1-2H3;2H2,1H3,(H,3,4,5)",C24H47N2O.C2H5O4S,,,,,,YBNCSKUFMBXRPV-UHFFFAOYSA-N,,,,,,,,,,,
100.066.467,273-135-8,68938-63-6,2-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]ethylamino]ethanol,2-[{3-chloro-4-[(4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethanol,Clc2cc(ccc2N=Nc1ccc(cc1)[N+]([O-])=O)N(CC)CCO,Clc2cc(ccc2N=Nc1ccc(cc1)[N+]([O-])=O)N(CC)CCO,"InChI=1/C16H17ClN4O3/c1-2-20(9-10-22)14-7-8-16(15(17)11-14)19-18-12-3-5-13(6-4-12)21(23)24/h3-8,11,22H,2,9-10H2,1H3",C16H17ClN4O3,,,,,,FCCANCPXZRMTTF-UHFFFAOYSA-N,,,,,,,,,,,
100.066.471,273-140-5,68938-69-2,Bis[4-[(5-sulpho-1-naphthyl)azo]naphthalene-1-diazonium] sulphate,bis{4-[(5-sulfo-1-naphthyl)diazenyl]naphthalene-1-diazonium} sulfate,[O-]S([O-])(=O)=O.OS(=O)(=O)c4cccc3c4cccc3N=Nc2ccc([N+]#N)c1ccccc12.OS(=O)(=O)c4cccc3c4cccc3N=Nc2ccc([N+]#N)c1ccccc12,[O-]S([O-])(=O)=O.OS(=O)(=O)c4cccc3c4cccc3N=Nc2ccc([N+]#N)c1ccccc12.OS(=O)(=O)c4cccc3c4cccc3N=Nc2ccc([N+]#N)c1ccccc12,"InChI=1/2C20H12N4O3S.H2O4S/c2*21-22-17-11-12-19(14-6-2-1-5-13(14)17)24-23-18-9-3-8-16-15(18)7-4-10-20(16)28(25,26)27;1-5(2,3)4/h2*1-12H;(H2,1,2,3,4)",C20H13N4O3S.1/2O4S,,,,,,DRUQSZGIJLBIJU-UHFFFAOYSA-N,,,,,,,,,,,
100.066.475,273-144-7,68938-78-3,"(Z)-1-[4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl]octadec-9-en-1-one phosphate","1-[1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-2-yl]octadec-9-en-1-one phosphate (salt)",OCCN1CC\\N=C1\\C(=O)CCCCCCC/C=C\\CCCCCCCC.OP(O)(=O)O,OCCN1CC\N=C1\C(=O)CCCCCCC/C=C\CCCCCCCC.OP(O)(=O)O,"InChI=1/C23H42N2O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)23-24-18-19-25(23)20-21-26;1-5(2,3)4/h9-10,26H,2-8,11-21H2,1H3;(H3,1,2,3,4)",C23H42N2O2.H3O4P,,,,,,BBPOSHDMAXJRFI-KVVVOXFISA-N,,,,,,,,,,,
100.066.479,273-148-9,68938-90-9,"N-tert-butyl-4,6-bis(tert-butylamino)-1,3,5-triazine-2-sulphenamide","N,N'-di-tert-butyl-6-[(tert-butylamino)sulfanyl]-1,3,5-triazine-2,4-diamine",CC(C)(C)NSc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1,CC(C)(C)NSc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1,"InChI=1/C15H30N6S/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)22-21-15(7,8)9/h21H,1-9H3,(H2,16,17,18,19,20)",C15H30N6S,,,,,,XUINYYDBYPZYTB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.822,301-049-3,93980-70-2,Octadecyl (R)-12-hydroxyoleate,octadecyl 12-hydroxyoctadec-9-enoate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C36H70O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-39-36(38)33-29-25-22-19-18-21-24-28-32-35(37)31-27-8-6-4-2/h24,28,35,37H,3-23,25-27,29-34H2,1-2H3",C36H70O3,,,,,,PHVQRWNQGOIZLC-YZPCPXFJSA-N,,,,,,,,,,,
100.091.823,301-050-9,93980-71-3,Docosyl (R)-12-hydroxyoleate,docosyl 12-hydroxyoctadec-9-enoate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C40H78O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-34-38-43-40(42)37-33-29-26-23-22-25-28-32-36-39(41)35-31-8-6-4-2/h28,32,39,41H,3-27,29-31,33-38H2,1-2H3",C40H78O3,,,,,,ZZYZIGHSNONPPV-RLMMAFHGSA-N,,,,,,,,,,,
100.090.080,299-135-8,93857-00-2,Tripotassium propylsilanetriolate,tripotassium propylsilanetriolate,[K+].[K+].[K+].CCC[Si]([O-])([O-])[O-],[K+].[K+].[K+].CCC[Si]([O-])([O-])[O-],"InChI=1/C3H7O3Si.3K/c1-2-3-7(4,5)6;;;/h2-3H2,1H3;;;/q-3;3*+1",C3H10O3Si.3K,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10226,https://echa.europa.eu/substance-information/-/substanceinfo/100.090.080,WJMMIIYOFJPJML-UHFFFAOYSA-N,,,,,,,,,,,
100.090.096,299-153-6,93857-21-7,"5-oxo-L-proline, compound with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)","5-oxo-L-proline - 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (1:1)",CN1N(C(=O)C=C1C)c2ccccc2.OC(=O)[C@@H]3CCC(=O)N3,CN1N(C(=O)C=C1C)c2ccccc2.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C11H12N2O.C5H7NO3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;7-4-2-1-3(6-4)5(8)9/h3-8H,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C11H12N2O.C5H7NO3,,,,,,YTWNFHOFEVWHSM-HVDRVSQOSA-N,,,,,,,,,,,
100.090.098,299-155-7,93857-23-9,"5-oxo-L-proline, compound with N-amidino-3,5-diamino-6-chloropyrazinecarboxamide (1:1)","5-oxo-L-proline - 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide (1:1)",NC(=N)NC(=O)c1nc(Cl)c(N)nc1N.OC(=O)[C@@H]2CCC(=O)N2,NC(=N)NC(=O)c1nc(Cl)c(N)nc1N.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C6H8ClN7O.C5H7NO3/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;7-4-2-1-3(6-4)5(8)9/h(H4,8,9,13)(H4,10,11,14,15);3H,1-2H2,(H,6,7)(H,8,9)",C6H8ClN7O.C5H7NO3,,,,,,XALZSUYPAAMHNG-HVDRVSQOSA-N,,,,,,,,,,,
100.090.103,299-160-4,93857-28-4,"5-oxo-L-proline, compound with quinolin-8-ol (1:1)",5-oxo-L-proline - quinolin-8-ol (1:1),OC(=O)[C@@H]1CCC(=O)N1.Oc2cccc3cccnc23,OC(=O)[C@@H]1CCC(=O)N1.Oc2cccc3cccnc23,"InChI=1/C9H7NO.C5H7NO3/c11-8-5-1-3-7-4-2-6-10-9(7)8;7-4-2-1-3(6-4)5(8)9/h1-6,11H;3H,1-2H2,(H,6,7)(H,8,9)",C9H7NO.C5H7NO3,,,,,,HESDYIXKBXBMAC-HVDRVSQOSA-N,,,,,,,,,,,
100.090.108,299-166-7,93857-33-1,"5-oxo-L-proline, compound with phthalazin-1(2H)-one hydrazone (1:1)","5-oxo-L-proline - 1-hydrazono-1,2-dihydrophthalazine (1:1)",OC(=O)[C@@H]1CCC(=O)N1.NN=C1N\\N=C/c2ccccc12,OC(=O)[C@@H]1CCC(=O)N1.NN=C1N\N=C/c2ccccc12,"InChI=1/C8H8N4.C5H7NO3/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;7-4-2-1-3(6-4)5(8)9/h1-5H,9H2,(H,11,12);3H,1-2H2,(H,6,7)(H,8,9)",C8H8N4.C5H7NO3,,,,,,FRLDYAKUUCTTDB-HVDRVSQOSA-N,,,,,,,,,,,
100.092.815,302-143-7,94094-42-5,"5-methyl-3,8-dinitro-6-phenylphenanthridinium chloride","5-methyl-3,8-dinitro-6-phenylphenanthridinium chloride",[Cl-].C[n+]1c(c2ccccc2)c3cc(ccc3c4ccc(cc14)[N+](=O)[O-])[N+](=O)[O-],[Cl-].C[n+]1c(c2ccccc2)c3cc(ccc3c4ccc(cc14)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C20H14N3O4.ClH/c1-21-19-12-15(23(26)27)8-10-17(19)16-9-7-14(22(24)25)11-18(16)20(21)13-5-3-2-4-6-13;/h2-12H,1H3;1H/q+1;/p-1",C20H14N3O4.Cl,,,,,,FEXABEMAEUCUPB-UHFFFAOYSA-M,,,,,,,,,,,
100.092.821,302-150-5,94094-48-1,2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioic acid,2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioic acid,OC(CCNC(CCCCCCC(=O)O)C(=O)O)C1CCCCC1,OC(CCNC(CCCCCCC(=O)O)C(=O)O)C1CCCCC1,"InChI=1/C18H33NO5/c20-16(14-8-4-3-5-9-14)12-13-19-15(18(23)24)10-6-1-2-7-11-17(21)22/h14-16,19-20H,1-13H2,(H,21,22)(H,23,24)",C18H33NO5,,,,,,LXBFYJPGFHKQAK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.822,302-151-0,94094-49-2,N-(3-acetyl-4-hydroxyphenyl)methanesulphonamide,N-(3-acetyl-4-hydroxyphenyl)methanesulfonamide,CC(=O)c1cc(NS(=O)(=O)C)ccc1O,CC(=O)c1cc(NS(=O)(=O)C)ccc1O,"InChI=1/C9H11NO4S/c1-6(11)8-5-7(3-4-9(8)12)10-15(2,13)14/h3-5,10,12H,1-2H3",C9H11NO4S,,,,,,DSQXYAPFBZKYLU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.828,302-157-3,94094-55-0,4-[[4-hydroxy-3-[1-oxo-3-[3-(trifluoromethyl)phenyl]allyl]phenyl]amino]-4-oxobutyric acid,4-[(4-hydroxy-3-{3-[3-(trifluoromethyl)phenyl]acryloyl}phenyl)amino]-4-oxobutanoic acid,OC(=O)CCC(=O)Nc1ccc(O)c(c1)C(=O)\\C=C\\c2cccc(c2)C(F)(F)F,OC(=O)CCC(=O)Nc1ccc(O)c(c1)C(=O)\C=C\c2cccc(c2)C(F)(F)F,"InChI=1/C20H16F3NO5/c21-20(22,23)13-3-1-2-12(10-13)4-6-16(25)15-11-14(5-7-17(15)26)24-18(27)8-9-19(28)29/h1-7,10-11,26H,8-9H2,(H,24,27)(H,28,29)",C20H16F3NO5,,,,,,YQDHPVFGGUCTPQ-GQCTYLIASA-N,,,,,,,,,,,
100.092.830,302-159-4,94094-57-2,3-(dimethylamino)-2'-hydroxychalcone,3-[3-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one,CN(C)c1cccc(\\C=C\\C(=O)c2ccccc2O)c1,CN(C)c1cccc(\C=C\C(=O)c2ccccc2O)c1,"InChI=1/C17H17NO2/c1-18(2)14-7-5-6-13(12-14)10-11-17(20)15-8-3-4-9-16(15)19/h3-12,19H,1-2H3",C17H17NO2,,,,,,RNCIXUYJQAYRIM-ZHACJKMWSA-N,,,,,,,,,,,
100.092.832,302-162-0,94094-59-4,N-[4-hydroxy-3-(1-oxo-3-phenylallyl)phenyl]benzenesulphonamide,N-(3-cinnamoyl-4-hydroxyphenyl)benzenesulfonamide,Oc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)\\C=C\\c3ccccc3,Oc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)\C=C\c3ccccc3,"InChI=1/C21H17NO4S/c23-20(13-11-16-7-3-1-4-8-16)19-15-17(12-14-21(19)24)22-27(25,26)18-9-5-2-6-10-18/h1-15,22,24H",C21H17NO4S,,,,,,WAGPHWCQZLAVCA-ACCUITESSA-N,,,,,,,,,,,
100.092.833,302-163-6,94094-61-8,[(4-dodecylphenyl)methyl]guanidinium monoacetate,amino-N-(4-dodecylbenzyl)iminomethanaminium acetate,CCCCCCCCCCCCc1ccc(C[NH2+]C(=N)N)cc1.CC(=O)[O-],CCCCCCCCCCCCc1ccc(C[NH2+]C(=N)N)cc1.CC(=O)[O-],"InChI=1/C20H35N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)17-23-20(21)22;1-2(3)4/h13-16H,2-12,17H2,1H3,(H4,21,22,23);1H3,(H,3,4)",C20H35N3.C2H4O2,,,,,,IWCLQZGFYRNLIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.834,302-164-1,94094-62-9,2-ethylhexyl (Z)-docos-13-enoate,2-ethylhexyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C30H58O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(31)32-28-29(6-3)26-8-5-2/h14-15,29H,4-13,16-28H2,1-3H3",C30H58O2,,,,,,PECIZVZMWBESKB-PFONDFGASA-N,,,,,,,,,,,
100.062.414,268-676-1,68133-33-5,"Disodium 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl)]bisethanesulphonate","disodium 2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)bis(1-methyltriaz-2-ene-3,1-diyl)]diethanesulfonate",[Na+].[Na+].Clc1cc(ccc1N=NN(C)CCS([O-])(=O)=O)c2ccc(N=NN(C)CCS([O-])(=O)=O)c(Cl)c2,[Na+].[Na+].Clc1cc(ccc1N=NN(C)CCS([O-])(=O)=O)c2ccc(N=NN(C)CCS([O-])(=O)=O)c(Cl)c2,"InChI=1/C18H22Cl2N6O6S2.2Na/c1-25(7-9-33(27,28)29)23-21-17-5-3-13(11-15(17)19)14-4-6-18(16(20)12-14)22-24-26(2)8-10-34(30,31)32;;/h3-6,11-12H,7-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C18H22Cl2N6O6S2.2Na,,,,,,PTZTVJFXDXTSSG-UHFFFAOYSA-L,,,,,,,,,,,
100.062.417,268-679-8,68133-36-8,"(4-ethyl-2-heptadecyl-4,5-dihydrooxazol-4-yl)methyl stearate","(4-ethyl-2-heptadecyl-4,5-dihydro-1,3-oxazol-4-yl)methyl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC1(CC)COC(=N1)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC1(CC)COC(=N1)CCCCCCCCCCCCCCCCC,"InChI=1/C41H79NO3/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-42-41(6-3,37-44-39)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-38H2,1-3H3",C41H79NO3,,,,,,RABTYWWXOMZNAP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.419,268-681-9,68133-38-0,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octanamide,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octanamide,CCCCCCCC(=O)NCCNCCNCCNCCN,CCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1/C16H37N5O/c1-2-3-4-5-6-7-16(22)21-15-14-20-13-12-19-11-10-18-9-8-17/h18-20H,2-15,17H2,1H3,(H,21,22)",C16H37N5O,,,,,,JAWMAOQAPSZIIX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.420,268-682-4,68133-39-1,1-chloro-3-(N-ethyl-m-toluidino)propan-2-ol hydrochloride,1-chloro-3-[ethyl(3-methylphenyl)amino]propan-2-ol hydrochloride,Cl.CCN(CC(O)CCl)c1cccc(C)c1,Cl.CCN(CC(O)CCl)c1cccc(C)c1,"InChI=1/C12H18ClNO.ClH/c1-3-14(9-12(15)8-13)11-6-4-5-10(2)7-11;/h4-7,12,15H,3,8-9H2,1-2H3;1H",C12H18ClNO.ClH,,,,,,PAXNDVVNHBWLID-UHFFFAOYSA-N,,,,,,,,,,,
100.062.424,268-687-1,68133-43-7,Dipotassium 2-butoxyethyl phosphate,dipotassium 2-butoxyethyl phosphate,[K+].[K+].CCCCOCCOP(=O)([O-])[O-],[K+].[K+].CCCCOCCOP(=O)([O-])[O-],"InChI=1/C6H15O5P.2K/c1-2-3-4-10-5-6-11-12(7,8)9;;/h2-6H2,1H3,(H2,7,8,9);;/q;2*+1/p-2",C6H15O5P.2K,,,,,,VNRLBVFSQLHMPD-UHFFFAOYSA-L,,,,,,,,,,,
100.062.430,268-693-4,68133-61-9,"5-[(3-ethyl-5,6-dimethylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid","{5-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid",O=C(O)CN3C(=O)C(=CC=C1Oc2cc(C)c(C)cc2N1CC)SC3=S,O=C(O)CN3C(=O)C(=CC=C1Oc2cc(C)c(C)cc2N1CC)SC3=S,"InChI=1/C18H18N2O4S2/c1-4-19-12-7-10(2)11(3)8-13(12)24-15(19)6-5-14-17(23)20(9-16(21)22)18(25)26-14/h5-8H,4,9H2,1-3H3,(H,21,22)",C18H18N2O4S2,,,,,,RFQLJIPQTMAKQX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.431,268-695-5,68133-62-0,"Oleic acid, compound with 2-(ethylamino)ethanol (1:1)",octadec-9-enoic acid - 2-(ethylamino)ethanol (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCNCCO,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCNCCO,"InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-5-3-4-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,2-4H2,1H3",C18H34O2.C4H11NO,,,,,,JLQGOJSHLBHSPK-KVVVOXFISA-N,,,,,,,,,,,
100.062.432,268-696-0,68133-68-6,Sodium 1-(2-ethylhexyl) 4-hexyl 2-sulphonatosuccinate,"sodium 1-[(2-ethylhexyl)oxy]-4-(hexyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCOC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],[Na+].CCCCCCOC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-],"InChI=1/C18H34O7S.Na/c1-4-7-9-10-12-24-17(19)13-16(26(21,22)23)18(20)25-14-15(6-3)11-8-5-2;/h15-16H,4-14H2,1-3H3,(H,21,22,23);/q;+1/p-1",C18H34O7S.Na,,,,,,VNKNAOUQMIGCIQ-UHFFFAOYSA-M,,,,,,,,,,,
100.062.433,268-697-6,68133-69-7,2-[(2-cyanoethyl)[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]ethyl acetate,"2-[(2-cyanoethyl){4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate",CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O,CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O,"InChI=1/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3",C20H18N6O4S,,,,,,ZNUBBVSUTSNSIM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.441,268-705-8,68133-78-8,(E)-hex-2-enyl phenylacetate,hex-2-en-1-yl phenylacetate,CCC\\C=C\\COC(=O)Cc1ccccc1,CCC\C=C\COC(=O)Cc1ccccc1,"InChI=1/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h4-10H,2-3,11-12H2,1H3",C14H18O2,,,,,,BYGAPGDXGHDYGP-XBXARRHUSA-N,,,,,,,,,,,
100.069.292,276-244-9,71975-57-0,Benzyldimethyl[2-(2-methyloctylphenoxy)ethyl]ammonium chloride,"N-benzyl-N,N-dimethyl-2-[2-(1-methyloctyl)phenoxy]ethanaminium chloride",[Cl-].CCCCCCCC(C)c1ccccc1OCC[N+](C)(C)Cc2ccccc2,[Cl-].CCCCCCCC(C)c1ccccc1OCC[N+](C)(C)Cc2ccccc2,"InChI=1/C26H40NO.ClH/c1-5-6-7-8-10-15-23(2)25-18-13-14-19-26(25)28-21-20-27(3,4)22-24-16-11-9-12-17-24;/h9,11-14,16-19,23H,5-8,10,15,20-22H2,1-4H3;1H/q+1;/p-1",C26H40NO.Cl,,,,,,VPSRFEHOCLNAJZ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.295,276-248-0,71975-60-5,Trifluoro-10H-phenothiazine,"1,2,3-trifluoro-10H-phenothiazine",Fc1cc2Sc3ccccc3Nc2c(F)c1F,Fc1cc2Sc3ccccc3Nc2c(F)c1F,"InChI=1/C12H6F3NS/c13-6-5-9-12(11(15)10(6)14)16-7-3-1-2-4-8(7)17-9/h1-5,16H",C12H6F3NS,,,,,,ILAKSAOPWGMEMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.299,276-252-2,71989-16-7,N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-asparagine,N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-asparagine,NC(=O)C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,NC(=O)C[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)",C19H18N2O5,,,,,,YUGBZNJSGOBFOV-INIZCTEOSA-N,,,,,,,,,,,
100.067.284,274-035-7,69538-63-2,Calcium bis[2-(acetylamino)ethanesulphonate],calcium bis(2-acetamidoethanesulfonate),[Ca+2].CC(=O)NCCS(=O)(=O)[O-].CC(=O)NCCS(=O)(=O)[O-],[Ca+2].CC(=O)NCCS(=O)(=O)[O-].CC(=O)NCCS(=O)(=O)[O-],"InChI=1/2C4H9NO4S.Ca/c2*1-4(6)5-2-3-10(7,8)9;/h2*2-3H2,1H3,(H,5,6)(H,7,8,9);/q;;+2/p-2",C4H9NO4S.1/2Ca,,,,,,XCVJUIGEYFWJLC-UHFFFAOYSA-L,,,,,,,,,,,
100.067.291,274-043-0,69565-07-7,"Diethyl 2,6-dimethyleneheptanedioate","diethyl 2,6-bis(methylene)heptanedioate",CCOC(=O)C(=C)CCCC(=C)C(=O)OCC,CCOC(=O)C(=C)CCCC(=C)C(=O)OCC,"InChI=1/C13H20O4/c1-5-16-12(14)10(3)8-7-9-11(4)13(15)17-6-2/h3-9H2,1-2H3",C13H20O4,,,,,,YBLZFSKXSXBQKF-UHFFFAOYSA-N,,,,,,,,,,,
100.069.441,276-407-4,72152-53-5,"Benzoic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis[5-[(methylamino)sulfonyl]-, hexasodium salt","hexasodium 2,2'-{(1,4-dioxobut-2-ene-1,4-diyl)bis[imino(2-sulfonato-4,1-phenylene)ethene-2,1-diyl(3-sulfonato-4,1-phenylene)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1,4-diyl)diazene-2,1-diyl]}bis[5-(methylsulfamoyl)benzoate]",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CNS(=O)(=O)c8ccc(N=NC1C(=O)N(/N=C1/C)c7ccc(C=Cc2ccc(cc2S([O-])(=O)=O)NC(=O)C=CC(=O)Nc6ccc(C=Cc3ccc(cc3S([O-])(=O)=O)N5/N=C(/C)C(N=Nc4ccc(cc4C([O-])=O)S(=O)(=O)NC)C5=O)c(c6)S([O-])(=O)=O)c(c7)S([O-])(=O)=O)c(c8)C([O-])=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CNS(=O)(=O)c8ccc(N=NC1C(=O)N(/N=C1/C)c7ccc(C=Cc2ccc(cc2S([O-])(=O)=O)NC(=O)C=CC(=O)Nc6ccc(C=Cc3ccc(cc3S([O-])(=O)=O)N5/N=C(/C)C(N=Nc4ccc(cc4C([O-])=O)S(=O)(=O)NC)C5=O)c(c6)S([O-])(=O)=O)c(c7)S([O-])(=O)=O)c(c8)C([O-])=O,"InChI=1/C56H48N12O24S6.6Na/c1-29-51(63-61-43-19-17-39(93(77,78)57-3)27-41(43)55(73)74)53(71)67(65-29)37-15-11-33(47(25-37)97(87,88)89)7-5-31-9-13-35(23-45(31)95(81,82)83)59-49(69)21-22-50(70)60-36-14-10-32(46(24-36)96(84,85)86)6-8-34-12-16-38(26-48(34)98(90,91)92)68-54(72)52(30(2)66-68)64-62-44-20-18-40(94(79,80)58-4)28-42(44)56(75)76;;;;;;/h5-28,51-52,57-58H,1-4H3,(H,59,69)(H,60,70)(H,73,74)(H,75,76)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92);;;;;;/q;6*+1/p-6",C56H48N12O24S6.6Na,,,,,,CNSFZEASMVHEAV-UHFFFAOYSA-H,,,,,,,,,,,
100.069.445,276-412-1,72152-59-1,"Disodium 2,4-dihydroxy-5-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]benzoate","disodium 2,4-dihydroxy-5-[(2-hydroxy-3-nitro-5-sulfonatophenyl)diazenyl]benzoate",[Na+].[Na+].Oc2c(cc(cc2N=Nc1cc(C([O-])=O)c(O)cc1O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].[Na+].Oc2c(cc(cc2N=Nc1cc(C([O-])=O)c(O)cc1O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C13H9N3O10S.2Na/c17-10-4-11(18)7(3-6(10)13(20)21)14-15-8-1-5(27(24,25)26)2-9(12(8)19)16(22)23;;/h1-4,17-19H,(H,20,21)(H,24,25,26);;/q;2*+1/p-2",C13H9N3O10S.2Na,,,,,,DRNABAUJRSESTF-UHFFFAOYSA-L,,,,,,,,,,,
100.069.452,276-420-5,72152-67-1,Disodium 5-[[4-[[4-[[6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-methylbenzoyl]amino]phenyl]azo]salicylate,disodium 5-[(4-{[4-({6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-3-methylbenzoyl]amino}phenyl)diazenyl]-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc6ccc(NC(=O)c5ccc(N=Nc4c(cc3cc(NC(=O)c2ccc(N)c(C)c2)ccc3c4O)S([O-])(=O)=O)c(C)c5)cc6,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc6ccc(NC(=O)c5ccc(N=Nc4c(cc3cc(NC(=O)c2ccc(N)c(C)c2)ccc3c4O)S([O-])(=O)=O)c(C)c5)cc6,"InChI=1/C39H31N7O9S.2Na/c1-20-15-22(3-12-31(20)40)38(50)42-27-9-11-29-24(17-27)18-34(56(53,54)55)35(36(29)48)46-45-32-13-4-23(16-21(32)2)37(49)41-25-5-7-26(8-6-25)43-44-28-10-14-33(47)30(19-28)39(51)52;;/h3-19,47-48H,40H2,1-2H3,(H,41,49)(H,42,50)(H,51,52)(H,53,54,55);;/q;2*+1/p-2",C39H31N7O9S.2Na,,,,,,GTOPKYLHZFSSLQ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.456,276-424-7,72152-88-6,"Phenyl 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridyl]azo]benzenesulphonate","phenyl 4-{[5-cyano-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate",O=S(=O)(Oc1ccccc1)c2ccc(cc2)N=N/C3=C(\\O)N(CCCOC)C(=O)C(/C#N)=C3/C,O=S(=O)(Oc1ccccc1)c2ccc(cc2)N=N/C3=C(\O)N(CCCOC)C(=O)C(/C#N)=C3/C,"InChI=1/C23H22N4O6S/c1-16-20(15-24)22(28)27(13-6-14-32-2)23(29)21(16)26-25-17-9-11-19(12-10-17)34(30,31)33-18-7-4-3-5-8-18/h3-5,7-12,29H,6,13-14H2,1-2H3",C23H22N4O6S,,,,,,IVDHIAHFWNYAOA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.981,270-401-5,68437-03-6,"1,8-dihydroxydinitroanthraquinone","1,8-dihydroxy-2,3-dinitro-9,10-anthraquinone",Oc1cccc2C(=O)c3cc(c(c(O)c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],Oc1cccc2C(=O)c3cc(c(c(O)c3C(=O)c12)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C14H6N2O8/c17-8-3-1-2-5-9(8)13(19)10-6(12(5)18)4-7(15(21)22)11(14(10)20)16(23)24/h1-4,17,20H",C14H6N2O8,,,,,,ZCRVFYDOGREPHB-UHFFFAOYSA-N,,,,,,,,,,,
100.065.503,272-074-4,68683-37-4,"3-methylpentane-1,3,5-triol, sodium salt",-,[Na+].CC(O)(CCO)CCO,[Na+].CC(O)(CCO)CCO,"InChI=1/C6H14O3.Na/c1-6(9,2-4-7)3-5-8;/h7-9H,2-5H2,1H3;/q;+1",C6H14O3.xNa,,,,,,ATAZMDQOAJCKNY-UHFFFAOYSA-N,,,,,,,,,,,
100.065.505,272-077-0,68683-42-1,"8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-b:3',2'-m]triphenodioxazinetrisulphonic acid","8,18-dichloro-5,15-diethyl-5,15-dihydrocarbazolo[3',2':5,6][1,4]oxazino[2,3-b]indolo[2,3-i]phenoxazine-1,2,3-trisulfonic acid",CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9c(c(c(cc9n8CC)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl,CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9c(c(c(cc9n8CC)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl,"InChI=1/C34H22Cl2N4O11S3/c1-3-39-19-8-6-5-7-14(19)15-9-17-23(11-20(15)39)50-31-28(36)30-32(27(35)29(31)37-17)51-24-12-21-16(10-18(24)38-30)26-22(40(21)4-2)13-25(52(41,42)43)33(53(44,45)46)34(26)54(47,48)49/h5-13H,3-4H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)",C34H22Cl2N4O11S3,,,,,,SOZVXMKLTKHFPV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.829,301-057-7,93980-77-9,Disodium 4-amino-5-hydroxy-6-[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 4-amino-5-hydroxy-6-[(4-nitro-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc2ccc1cc(cc(N)c1c2O)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc2ccc1cc(cc(N)c1c2O)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,"InChI=1/C16H12N4O9S2.2Na/c17-11-7-10(30(24,25)26)5-8-1-3-13(16(21)15(8)11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C16H12N4O9S2.2Na,,,,,,RPFYOGYELBEOTD-UHFFFAOYSA-L,,,,,,,,,,,
100.091.833,301-061-9,93980-81-5,"11,11-dimethoxyundec-2-ene","11,11-dimethoxyundec-2-ene",COC(CCCCCCCC=CC)OC,COC(CCCCCCCC=CC)OC,"InChI=1/C13H26O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h4-5,13H,6-12H2,1-3H3",C13H26O2,,,,,,PLJPAXHHAVGLIX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.844,301-073-4,93980-93-9,"1-(1,1-dimethylpropyl)-4-(2-nitrophenoxy)benzene","1-[4-(1,1-dimethylpropyl)phenoxy]-2-nitrobenzene",CCC(C)(C)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1,CCC(C)(C)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1,"InChI=1/C17H19NO3/c1-4-17(2,3)13-9-11-14(12-10-13)21-16-8-6-5-7-15(16)18(19)20/h5-12H,4H2,1-3H3",C17H19NO3,,,,,,GEJOEGDFPKMVEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.851,301-081-8,93981-00-1,1-methyl-4-[(methylphenylhydrazono)methyl]pyridinium acetate,1-methyl-4-[methyl(phenyl)carbonohydrazonoyl]pyridinium acetate,[O-]C(C)=O.C[n+]2ccc(C=NN(C)c1ccccc1)cc2,[O-]C(C)=O.C[n+]2ccc(C=NN(C)c1ccccc1)cc2,"InChI=1/C14H16N3.C2H4O2/c1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-2(3)4/h3-12H,1-2H3;1H3,(H,3,4)/q+1;/p-1",C14H16N3.C2H3O2,,,,,,ZLUHYKZBAAPWEH-UHFFFAOYSA-M,,,,,,,,,,,
100.068.219,275-064-8,70956-08-0,Bis[(aminocyclohexyl)methyl]cyclohexylamine,"N,N-bis[(1-aminocyclohexyl)methyl]cyclohexanamine",NC1(CN(CC2(N)CCCCC2)C3CCCCC3)CCCCC1,NC1(CN(CC2(N)CCCCC2)C3CCCCC3)CCCCC1,"InChI=1/C20H39N3/c21-19(12-6-2-7-13-19)16-23(18-10-4-1-5-11-18)17-20(22)14-8-3-9-15-20/h18H,1-17,21-22H2",C20H39N3,,,,,,FTHHRNRAGXYFGY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.223,275-069-5,70969-58-3,Diisobutyl hexahydrophthalate,"diisobutyl cyclohexane-1,2-dicarboxylate",CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,"InChI=1/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3",C16H28O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10446,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.223,QUKHPBOCBWDYMW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.227,275-073-7,70969-70-9,"2-ethylhexyl 3,5,5-trimethylhexanoate","2-ethylhexyl 3,5,5-trimethylhexanoate",CCCCC(CC)COC(=O)CC(C)CC(C)(C)C,CCCCC(CC)COC(=O)CC(C)CC(C)(C)C,"InChI=1/C17H34O2/c1-7-9-10-15(8-2)13-19-16(18)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3",C17H34O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17574,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.227,LCVHZNSIAYNAGX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.230,275-076-3,70976-76-0,Bifepramide,2-biphenyl-4-yl-N-[2-(diethylamino)ethyl]propanamide,CCN(CC)CCNC(=O)C(C)c1ccc(cc1)c2ccccc2,CCN(CC)CCNC(=O)C(C)c1ccc(cc1)c2ccccc2,"InChI=1/C21H28N2O/c1-4-23(5-2)16-15-22-21(24)17(3)18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,22,24)",C21H28N2O,,,,,,GXLWOFJVIBEMCS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.998,269-319-2,68214-79-9,3-[[4-[(2-bromo-6-methyl-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]propiononitrile,3-[{4-[(2-bromo-6-methyl-4-nitrophenyl)diazenyl]-3-methylphenyl}(2-hydroxyethyl)amino]propanenitrile,Brc2cc(cc(C)c2N=Nc1ccc(cc1C)N(CCC#N)CCO)[N+]([O-])=O,Brc2cc(cc(C)c2N=Nc1ccc(cc1C)N(CCC#N)CCO)[N+]([O-])=O,"InChI=1/C19H20BrN5O3/c1-13-10-15(24(8-9-26)7-3-6-21)4-5-18(13)22-23-19-14(2)11-16(25(27)28)12-17(19)20/h4-5,10-12,26H,3,7-9H2,1-2H3",C19H20BrN5O3,,,,,,JJHPULOTTFXKFG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.999,269-320-8,68214-80-2,N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulphonamide monohydrochloride,N-{2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl}methanesulfonamide hydrochloride,Cl.CCN(CCNS(=O)(=O)C)c1ccc(N=O)c(C)c1,Cl.CCN(CCNS(=O)(=O)C)c1ccc(N=O)c(C)c1,"InChI=1/C12H19N3O3S.ClH/c1-4-15(8-7-13-19(3,17)18)11-5-6-12(14-16)10(2)9-11;/h5-6,9,13H,4,7-8H2,1-3H3;1H",C12H19N3O3S.ClH,,,,,,DHUWUDCIIGPHFN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.143,268-377-6,68083-28-3,2-[2-(acetylphenylamino)vinyl]-3-ethyl-5-sulphonatobenzoxazolium,"2-{2-[acetyl(phenyl)amino]vinyl}-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate",CC[n+]1c(oc2ccc(cc12)S(=O)(=O)[O-])\\C=C\\N(C(=O)C)c3ccccc3,CC[n+]1c(oc2ccc(cc12)S(=O)(=O)[O-])\C=C\N(C(=O)C)c3ccccc3,"InChI=1/C19H18N2O5S/c1-3-20-17-13-16(27(23,24)25)9-10-18(17)26-19(20)11-12-21(14(2)22)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3",C19H18N2O5S,,,,,,JHQQVABRANWCLG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.144,268-378-1,68083-29-4,Ethyl N-[5-(acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-ß-alaninate,ethyl N-(5-acetamido-2-methoxyphenyl)-N-(2-hydroxyethyl)-beta-alaninate,CCOC(=O)CCN(CCO)c1cc(NC(=O)C)ccc1OC,CCOC(=O)CCN(CCO)c1cc(NC(=O)C)ccc1OC,"InChI=1/C16H24N2O5/c1-4-23-16(21)7-8-18(9-10-19)14-11-13(17-12(2)20)5-6-15(14)22-3/h5-6,11,19H,4,7-10H2,1-3H3,(H,17,20)",C16H24N2O5,,,,,,ARIQQHZBLXZETR-UHFFFAOYSA-N,,,,,,,,,,,
100.062.147,268-381-8,68083-33-0,Ammonium a-hydroxy-p-methoxytoluene-a-sulphonate,ammonium hydroxy(4-methoxyphenyl)methanesulfonate,[NH4+].COc1ccc(cc1)C(O)S(=O)(=O)[O-],[NH4+].COc1ccc(cc1)C(O)S(=O)(=O)[O-],"InChI=1/C8H10O5S.H3N/c1-13-7-4-2-6(3-5-7)8(9)14(10,11)12;/h2-5,8-9H,1H3,(H,10,11,12);1H3",C8H10O5S.H3N,,,,,,QMCVPFYGFSBYLU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.836,302-166-2,94094-64-1,"Disodium 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulphonatophenoxy)anthracene-2-sulphonate","disodium 1,4-dihydroxy-9,10-dioxo-3-(4-sulfonatophenoxy)-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Oc1c(Oc2ccc(cc2)S(=O)(=O)[O-])c(c(O)c3C(=O)c4ccccc4C(=O)c13)S(=O)(=O)[O-],[Na+].[Na+].Oc1c(Oc2ccc(cc2)S(=O)(=O)[O-])c(c(O)c3C(=O)c4ccccc4C(=O)c13)S(=O)(=O)[O-],"InChI=1/C20H12O11S2.2Na/c21-15-11-3-1-2-4-12(11)16(22)14-13(15)17(23)19(20(18(14)24)33(28,29)30)31-9-5-7-10(8-6-9)32(25,26)27;;/h1-8,23-24H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C20H12O11S2.2Na,,,,,,JBQQJBHUQSTJND-UHFFFAOYSA-L,,,,,,,,,,,
100.092.842,302-173-0,94094-71-0,"(Z)-4-bromo-4'-[3-bromo-1-(4-chlorophenyl)-1-propenyl]-1,1'-biphenyl",4-bromo-4'-[3-bromo-1-(4-chlorophenyl)prop-1-en-1-yl]biphenyl,Clc1ccc(cc1)\\C(=C/CBr)\\c2ccc(cc2)c3ccc(Br)cc3,Clc1ccc(cc1)\C(=C/CBr)\c2ccc(cc2)c3ccc(Br)cc3,"InChI=1/C21H15Br2Cl/c22-14-13-21(18-7-11-20(24)12-8-18)17-3-1-15(2-4-17)16-5-9-19(23)10-6-16/h1-13H,14H2",C21H15Br2Cl,,,,,,YHLUVFQCHVUOSO-BKUYFWCQSA-N,,,,,,,,,,,
100.092.845,302-176-7,94094-74-3,Dipotassium 2-carboxylato-1H-indole-3-butyrate,dipotassium 3-(3-carboxylatopropyl)-1H-indole-2-carboxylate,[K+].[K+].[O-]C(=O)CCCc1c([nH]c2ccccc12)C(=O)[O-],[K+].[K+].[O-]C(=O)CCCc1c([nH]c2ccccc12)C(=O)[O-],"InChI=1/C13H13NO4.2K/c15-11(16)7-3-5-9-8-4-1-2-6-10(8)14-12(9)13(17)18;;/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,17,18);;/q;2*+1/p-2",C13H13NO4.2K,,,,,,RGHBVLXJSKFBSI-UHFFFAOYSA-L,,,,,,,,,,,
100.089.877,298-912-9,93840-48-3,"Benzoic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, sodium salt, compd. with 2,2',2''-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]","sodium 4-{[1-hydroxy-6-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfo-2-naphthyl]carbamoyl}amino)-3-sulfo-2-naphthyl]diazenyl}benzoate 2,2',2''-[nitrilotris(ethane-2,1-diyloxy)]triethanol (1:1)",[Na+].OCCOCCN(CCOCCO)CCOCCO.OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C([O-])=O)c6O)S(O)(=O)=O,[Na+].OCCOCCN(CCOCCO)CCOCCO.OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C([O-])=O)c6O)S(O)(=O)=O,"InChI=1/C34H24N6O11S2.C12H27NO6.Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);14-16H,1-12H2;/q;;+1/p-1",C34H24N6O11S2.xC12H27NO6.xNa,,,,,,POTLESLMCYCGCD-UHFFFAOYSA-M,,,,,,,,,,,
100.089.880,298-916-0,93840-51-8,N-(3-aminopropyl)-N-octadecyl-D-gluconamide,"N-(3-aminopropyl)-2,3,4,5,6-pentahydroxy-N-octadecylhexanamide (non-preferred name)",CCCCCCCCCCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C27H56N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(21-18-19-28)27(35)26(34)25(33)24(32)23(31)22-30/h23-26,30-34H,2-22,28H2,1H3",C27H56N2O6,,,,,,ZZUMLEXOVKUJEV-FXSWLTOZSA-N,,,,,,,,,,,
100.089.883,298-919-7,93840-54-1,N-(3-aminopropyl)-N-octyl-D-gluconamide,"N-(3-aminopropyl)-2,3,4,5,6-pentahydroxy-N-octylhexanamide (non-preferred name)",CCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C17H36N2O6/c1-2-3-4-5-6-7-10-19(11-8-9-18)17(25)16(24)15(23)14(22)13(21)12-20/h13-16,20-24H,2-12,18H2,1H3",C17H36N2O6,,,,,,ZTFDHJKBHRSPIG-LVQVYYBASA-N,,,,,,,,,,,
100.089.887,298-923-9,93840-58-5,"[(2,4-dichlorophenoxy)methyl]dimethyloctylammonium chloride","N-[(2,4-dichlorophenoxy)methyl]-N,N-dimethyloctan-1-aminium chloride",[Cl-].CCCCCCCC[N+](C)(C)COc1ccc(Cl)cc1Cl,[Cl-].CCCCCCCC[N+](C)(C)COc1ccc(Cl)cc1Cl,"InChI=1/C17H28Cl2NO.ClH/c1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;/h10-11,13H,4-9,12,14H2,1-3H3;1H/q+1;/p-1",C17H28Cl2NO.Cl,,,,,,LKVRKEFXIWVRRJ-UHFFFAOYSA-M,,,,,,,,,,,
100.089.888,298-924-4,93840-59-6,"Bis[[(2,4-dichlorophenoxy)methyl]dimethyloctylammonium] 4,4'-diaminostilbene-2,2'-disulphonate","bis{N-[(2,4-dichlorophenoxy)methyl]-N,N-dimethyloctan-1-aminium} 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonate)",CCCCCCCC[N+](C)(C)COc1ccc(Cl)cc1Cl.CCCCCCCC[N+](C)(C)COc2ccc(Cl)cc2Cl.Nc3ccc(\\C=C\\c4ccc(N)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-],CCCCCCCC[N+](C)(C)COc1ccc(Cl)cc1Cl.CCCCCCCC[N+](C)(C)COc2ccc(Cl)cc2Cl.Nc3ccc(\C=C\c4ccc(N)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-],"InChI=1/2C17H28Cl2NO.C14H14N2O6S2/c2*1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h2*10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q2*+1;/p-2",C17H28Cl2NO.1/2C14H12N2O6S2,,,,,,MDEZLGZRBQJCEK-WXXKFALUSA-L,,,,,,,,,,,
100.089.893,298-930-7,93840-65-4,"5-ethyl-3,8-dinitro-6-phenylphenanthridinium ethyl sulphate","5-ethyl-3,8-dinitro-6-phenylphenanthridinium ethyl sulfate",CCOS(=O)(=O)[O-].CC[n+]1c(c2ccccc2)c3cc(ccc3c4ccc(cc14)[N+](=O)[O-])[N+](=O)[O-],CCOS(=O)(=O)[O-].CC[n+]1c(c2ccccc2)c3cc(ccc3c4ccc(cc14)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C21H16N3O4.C2H6O4S/c1-2-22-20-13-16(24(27)28)9-11-18(20)17-10-8-15(23(25)26)12-19(17)21(22)14-6-4-3-5-7-14;1-2-6-7(3,4)5/h3-13H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C21H16N3O4.C2H5O4S,,,,,,KVSATGGMSSOVOB-UHFFFAOYSA-M,,,,,,,,,,,
100.069.308,276-262-7,71989-38-3,O-(tert-butyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tyrosine,O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine,CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3c4ccccc24)C(=O)O)cc1,CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3c4ccccc24)C(=O)O)cc1,"InChI=1/C28H29NO5/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)",C28H29NO5,,,,,,JAUKCFULLJFBFN-VWLOTQADSA-N,,,,,,,,,,,
100.069.323,276-278-4,72002-23-4,"N-(2,4,6-tribromophenyl)formamide","N-(2,4,6-tribromophenyl)formamide",Brc1cc(Br)c(NC=O)c(Br)c1,Brc1cc(Br)c(NC=O)c(Br)c1,"InChI=1/C7H4Br3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-3H,(H,11,12)",C7H4Br3NO,,,,,,CNORRCOAHWUWLT-UHFFFAOYSA-N,,,,,,,,,,,
100.064.930,271-444-2,68555-67-9,Sodium heptadecafluorooctanesulphinate,"sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfinate",[Na+].[O-]S(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]S(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8HF17O2S.Na/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)28(26)27;/h(H,26,27);/q;+1/p-1",C8HF17O2S.Na,,,,,,ZJLHVAAUPVPEMZ-UHFFFAOYSA-M,,,,,,,,,,,
100.064.931,271-445-8,68555-68-0,Sodium N-ethyl-N-[(nonafluorobutyl)sulphonyl]glycinate,sodium {ethyl[(nonafluorobutyl)sulfonyl]amino}acetate,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C8H8F9NO4S.Na/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15;/h2-3H2,1H3,(H,19,20);/q;+1/p-1",C8H8F9NO4S.Na,,,,,,VWFMQKTZSJCNCT-UHFFFAOYSA-M,,,,,,,,,,,
100.064.932,271-446-3,68555-69-1,Sodium N-ethyl-N-[(undecafluoropentyl)sulphonyl]glycinate,sodium {ethyl[(undecafluoropentyl)sulfonyl]amino}acetate,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C9H8F11NO4S.Na/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18;/h2-3H2,1H3,(H,22,23);/q;+1/p-1",C9H8F11NO4S.Na,,,,,,SIFGZBWKMXVQBP-UHFFFAOYSA-M,,,,,,,,,,,
100.064.933,271-447-9,68555-70-4,Sodium N-ethyl-N-[(tridecafluorohexyl)sulphonyl]glycinate,sodium {ethyl[(tridecafluorohexyl)sulfonyl]amino}acetate,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H8F13NO4S.Na/c1-2-24(3-4(25)26)29(27,28)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21;/h2-3H2,1H3,(H,25,26);/q;+1/p-1",C10H8F13NO4S.Na,,,,,,XAXWDRWBIJWGHX-UHFFFAOYSA-M,,,,,,,,,,,
100.064.962,271-479-3,68556-19-4,"(2,5-dimethoxy-4-nitrophenyl) phenyl ketone","(2,5-dimethoxy-4-nitrophenyl)(phenyl)methanone",COc1cc(c(OC)cc1C(=O)c2ccccc2)[N+](=O)[O-],COc1cc(c(OC)cc1C(=O)c2ccccc2)[N+](=O)[O-],"InChI=1/C15H13NO5/c1-20-13-9-12(16(18)19)14(21-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,1-2H3",C15H13NO5,,,,,,KDRDNGACIHSNME-UHFFFAOYSA-N,,,,,,,,,,,
100.064.966,271-484-0,68556-59-2,Prosulpride,2-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide,CCCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,CCCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,"InChI=1/C16H25N3O4S/c1-3-8-19-9-4-5-12(19)11-18-16(20)14-10-13(24(17,21)22)6-7-15(14)23-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20)(H2,17,21,22)",C16H25N3O4S,,,,,,SZEAUPPGLDXGJG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.455,268-721-5,68133-98-2,p-nitro-N-propylbenzylamine hydrochloride,N-(4-nitrobenzyl)propan-1-amine hydrochloride,Cl.CCCNCc1ccc(cc1)[N+](=O)[O-],Cl.CCCNCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H14N2O2.ClH/c1-2-7-11-8-9-3-5-10(6-4-9)12(13)14;/h3-6,11H,2,7-8H2,1H3;1H",C10H14N2O2.ClH,,,,,,LWISLZIFEARHJI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.456,268-722-0,68134-01-0,"Citric acid, ammonium zinc salt",ammonium zinc citrate,[NH4+].[Zn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[Zn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.H3N.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;/q;;+2/p-2",C6H8O7.xH3N.xZn,,,,,,HKCOOGQWXRQBHJ-UHFFFAOYSA-L,,,,,,,,,,,
100.062.476,268-744-0,68134-32-7,1-(2-cyanoethyl)-2-[4-[(2-ethoxyethyl)ethylamino]phenyl]benz[cd]indolium chloride,1-(2-cyanoethyl)-2-{4-[(2-ethoxyethyl)(ethyl)amino]phenyl}benzo[cd]indolium chloride,[Cl-].CCOCCN(CC)c1ccc(cc1)C2=[N+](CCC#N)c3cccc4cccc2c34,[Cl-].CCOCCN(CC)c1ccc(cc1)C2=[N+](CCC#N)c3cccc4cccc2c34,"InChI=1/C26H28N3O.ClH/c1-3-28(18-19-30-4-2)22-14-12-21(13-15-22)26-23-10-5-8-20-9-6-11-24(25(20)23)29(26)17-7-16-27;/h5-6,8-15H,3-4,7,17-19H2,1-2H3;1H/q+1;/p-1",C26H28N3O.Cl,,,,,,WSTUXINPHUICKM-UHFFFAOYSA-M,,,,,,,,,,,
100.062.479,268-747-7,68134-35-0,"1,3,3-trimethyl-2-[1-(methylphenylhydrazono)ethyl]-3H-indolium chloride","1,3,3-trimethyl-2-(N-methyl-N-phenylethanehydrazonoyl)-3H-indolium chloride",[Cl-].CC(=NN(C)c1ccccc1)\\C3=[N+](/C)c2ccccc2C3(C)C,[Cl-].CC(=NN(C)c1ccccc1)\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3.ClH/c1-15(21-23(5)16-11-7-6-8-12-16)19-20(2,3)17-13-9-10-14-18(17)22(19)4;/h6-14H,1-5H3;1H/q+1;/p-1",C20H24N3.Cl,,,,,,GBJJMSLCFBLYHV-UHFFFAOYSA-M,,,,,,,,,,,
100.065.506,272-078-6,68683-43-2,Sodium 2-chloro-5-nitrobenzenesulphinate,sodium 2-chloro-5-nitrobenzenesulfinate,[Na+].[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)[O-],[Na+].[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)[O-],"InChI=1/C6H4ClNO4S.Na/c7-5-2-1-4(8(9)10)3-6(5)13(11)12;/h1-3H,(H,11,12);/q;+1/p-1",C6H4ClNO4S.Na,,,,,,BBSWINSMWHMQRQ-UHFFFAOYSA-M,,,,,,,,,,,
100.065.507,272-079-1,68683-46-5,"Allyl [[[[2,2-bis[(allyloxy)methyl]butoxy]carbonyl]amino]methylphenyl]carbamate","allyl (2-{[({2,2-bis[(allyloxy)methyl]butoxy}carbonyl)amino]methyl}phenyl)carbamate",CCC(COCC=C)(COCC=C)COC(=O)NCc1ccccc1NC(=O)OCC=C,CCC(COCC=C)(COCC=C)COC(=O)NCc1ccccc1NC(=O)OCC=C,"InChI=1/C24H34N2O6/c1-5-13-29-17-24(8-4,18-30-14-6-2)19-32-22(27)25-16-20-11-9-10-12-21(20)26-23(28)31-15-7-3/h5-7,9-12H,1-3,8,13-19H2,4H3,(H,25,27)(H,26,28)",C24H34N2O6,,,,,,YNKNLQLRKHSMFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.513,272-085-4,68698-57-7,"Methyl 1,6-dimethyl-5-(1-methylvinyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate","methyl 5-isopropenyl-1,6-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxylate",COC(=O)C1CC2CC1(C)C(=C2C(=C)C)C,COC(=O)C1CC2CC1(C)C(=C2C(=C)C)C,"InChI=1/C14H20O2/c1-8(2)12-9(3)14(4)7-10(12)6-11(14)13(15)16-5/h10-11H,1,6-7H2,2-5H3",C14H20O2,,,,,,QGLOTHQLJUMRHT-UHFFFAOYSA-N,,,,,,,,,,,
100.065.516,272-089-6,68698-60-2,"Barium bis[2,2-dimethyloctanoate]","barium bis(2,2-dimethyloctanoate)",[Ba+2].CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-],[Ba+2].CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-],"InChI=1/2C10H20O2.Ba/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2",C10H20O2.1/2Ba,,,,,,CJLKLWVNWFVXOI-UHFFFAOYSA-L,,,,,,,,,,,
100.065.517,272-090-1,68698-61-3,Disodium pentyl phosphate,disodium pentyl phosphate,[Na+].[Na+].CCCCCOP(=O)([O-])[O-],[Na+].[Na+].CCCCCOP(=O)([O-])[O-],"InChI=1/C5H13O4P.2Na/c1-2-3-4-5-9-10(6,7)8;;/h2-5H2,1H3,(H2,6,7,8);;/q;2*+1/p-2",C5H13O4P.2Na,,,,,,FULYKNTUIATUHF-UHFFFAOYSA-L,,,,,,,,,,,
100.065.518,272-091-7,68698-62-4,Sodium dipentyl phosphate,sodium dipentyl phosphate,[Na+].CCCCCOP(=O)([O-])OCCCCC,[Na+].CCCCCOP(=O)([O-])OCCCCC,"InChI=1/C10H23O4P.Na/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;/h3-10H2,1-2H3,(H,11,12);/q;+1/p-1",C10H23O4P.Na,,,,,,GESVCGUDQUOBJG-UHFFFAOYSA-M,,,,,,,,,,,
100.065.527,272-102-5,68714-10-3,"1-ethyl-N,N-diisopropylpropylamine","N,N-diisopropylpentan-3-amine",CCC(CC)N(C(C)C)C(C)C,CCC(CC)N(C(C)C)C(C)C,"InChI=1/C11H25N/c1-7-11(8-2)12(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3",C11H25N,,,,,,BDKMTSFYPWEJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.065.556,272-133-4,68740-30-7,"4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-methylbenzene-1,2-diamine","4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-N~1~-methylbenzene-1,2-diamine",CNc1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1N,CNc1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1N,"InChI=1/C25H30N4/c1-27-24-13-12-20(18-23(24)26)19-28-14-16-29(17-15-28)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,25,27H,14-17,19,26H2,1H3",C25H30N4,,,,,,ZBKAXLRWIUXFRC-UHFFFAOYSA-N,,,,,,,,,,,
100.065.560,272-138-1,68745-07-3,"5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzothiazepine","5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzothiazepine",CN1CCN(CC1)C2=Nc3ccccc3Sc4ncccc24,CN1CCN(CC1)C2=Nc3ccccc3Sc4ncccc24,"InChI=1/C17H18N4S/c1-20-9-11-21(12-10-20)16-13-5-4-8-18-17(13)22-15-7-3-2-6-14(15)19-16/h2-8H,9-12H2,1H3",C17H18N4S,,,,,,VJNQLNPFELPXCU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.305,274-058-2,69628-98-4,1-(2-methoxyethyl)-4-nitrobenzene,1-(2-methoxyethyl)-4-nitrobenzene,COCCc1ccc(cc1)[N+](=O)[O-],COCCc1ccc(cc1)[N+](=O)[O-],"InChI=1/C9H11NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3",C9H11NO3,,,,,,VZUJQBDFJZRCBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.318,274-072-9,69673-83-2,"2-hydroxy-2,3',4'-trimethylpropiophenone","1-(3,4-dimethylphenyl)-2-hydroxy-2-methylpropan-1-one",Cc1ccc(cc1C)C(=O)C(C)(C)O,Cc1ccc(cc1C)C(=O)C(C)(C)O,"InChI=1/C12H16O2/c1-8-5-6-10(7-9(8)2)11(13)12(3,4)14/h5-7,14H,1-4H3",C12H16O2,,,,,,CWMPTHCXPDLJNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.319,274-073-4,69673-85-4,2-hydroxy-4'-isopropyl-2-methylpropiophenone,2-hydroxy-1-(4-isopropylphenyl)-2-methylpropan-1-one,CC(C)c1ccc(cc1)C(=O)C(C)(C)O,CC(C)c1ccc(cc1)C(=O)C(C)(C)O,"InChI=1/C13H18O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15/h5-9,15H,1-4H3",C13H18O2,,,,,,QPXVRLXJHPTCPW-UHFFFAOYSA-N,,,,,,,,,,,
100.067.329,274-084-4,69695-75-6,"1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]anthraquinone, monohydrochloride","1-amino-4-({3-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone hydrochloride",Cl.CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1,Cl.CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1,"InChI=1/C23H21N3O2.ClH/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;/h3-12,25H,13,24H2,1-2H3;1H",C23H21N3O2.ClH,,,,,,MBYMHMBWQCJXBL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.340,274-097-5,69723-90-6,"Pentasodium 2-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(1-sulphonato-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate","pentasodium 2-{[4-chloro-6-({8-hydroxy-3,6-disulfonato-7-[(1-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}-5-sulfonatobenzoate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(cc5C([O-])=O)S([O-])(=O)=O)n6,[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(cc5C([O-])=O)S([O-])(=O)=O)n6,"InChI=1/C30H20ClN7O15S4.5Na/c31-28-34-29(32-19-8-6-15(54(42,43)44)11-18(19)27(40)41)36-30(35-28)33-21-12-16(55(45,46)47)9-14-10-22(56(48,49)50)24(25(39)23(14)21)38-37-20-7-5-13-3-1-2-4-17(13)26(20)57(51,52)53;;;;;/h1-12,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,32,33,34,35,36);;;;;/q;5*+1/p-5",C30H20ClN7O15S4.5Na,,,,,,NWQCKGOTFJELGD-UHFFFAOYSA-I,,,,,,,,,,,
100.067.341,274-098-0,69723-94-0,1-(benzyl)-3-sulphonatopyridinium,1-benzylpyridinium-3-sulfonate,[O-]S(=O)(=O)c1ccc[n+](Cc2ccccc2)c1,[O-]S(=O)(=O)c1ccc[n+](Cc2ccccc2)c1,"InChI=1/C12H11NO3S/c14-17(15,16)12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2",C12H11NO3S,,,,,,BUHVHBJRTMUDGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.342,274-099-6,69735-34-8,"(R)-1,2,3,4,5,6,7,8-octahydro-1-(4-methoxybenzyl)isoquinolinium chloride","1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinolinium chloride",[Cl-].COc1ccc(C[C@H]2[NH2+]CCC3=C2CCCC3)cc1,[Cl-].COc1ccc(C[C@H]2[NH2+]CCC3=C2CCCC3)cc1,"InChI=1/C17H23NO.ClH/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17;/h6-9,17-18H,2-5,10-12H2,1H3;1H",C17H23NO.ClH,,,,,,KPOHPPSNWPXYNT-UNTBIKODSA-N,,,,,,,,,,,
100.067.343,274-101-5,69738-55-2,Methyl 4-chloro-4-(methoxyimino)-3-oxobutyrate,methyl 4-chloro-4-(methoxyimino)-3-oxobutanoate,O=C(CC(=O)OC)C(Cl)=NOC,O=C(CC(=O)OC)C(Cl)=NOC,"InChI=1/C6H8ClNO4/c1-11-5(10)3-4(9)6(7)8-12-2/h3H2,1-2H3",C6H8ClNO4,,,,,,ZNMFQLZPKMZNBR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.467,276-436-2,72175-32-7,N-[2-[(2-aminoethyl)amino]ethyl]stearamide monoacetate,N-{2-[(2-aminoethyl)amino]ethyl}octadecanamide acetate,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O,"InChI=1/C22H47N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-2(3)4/h24H,2-21,23H2,1H3,(H,25,26);1H3,(H,3,4)",C22H47N3O.C2H4O2,,,,,,PYUDDMXSYVWQHN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.469,276-438-3,72175-36-1,2-[2-(2-methoxyethoxy)ethoxy]anthraquinone,"2-[2-(2-methoxyethoxy)ethoxy]-9,10-anthraquinone",COCCOCCOc1ccc2C(=O)c3ccccc3C(=O)c2c1,COCCOCCOc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C19H18O5/c1-22-8-9-23-10-11-24-13-6-7-16-17(12-13)19(21)15-5-3-2-4-14(15)18(16)20/h2-7,12H,8-11H2,1H3",C19H18O5,,,,,,PPQCMDJFLCLHOW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.470,276-439-9,72178-02-0,5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulphonyl)-2-nitrobenzamide,5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide,CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],"InChI=1/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)",C15H10ClF3N2O6S,,,,,,BGZZWXTVIYUUEY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.471,276-440-4,72183-74-5,"2-methyl[1,1'-bicyclohexyl]-2-yl acetate","2-methyl-1,1'-bi(cyclohexyl)-2-yl acetate",CC(=O)OC1(C)CCCCC1C2CCCCC2,CC(=O)OC1(C)CCCCC1C2CCCCC2,"InChI=1/C15H26O2/c1-12(16)17-15(2)11-7-6-10-14(15)13-8-4-3-5-9-13/h13-14H,3-11H2,1-2H3",C15H26O2,,,,,,BFMHEASWINLVIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.472,276-442-5,72183-75-6,1-methyl-2-(1-methylpropyl)cyclohexyl acetate,2-sec-butyl-1-methylcyclohexyl acetate,CCC(C)C1CCCCC1(C)OC(=O)C,CCC(C)C1CCCCC1(C)OC(=O)C,"InChI=1/C13H24O2/c1-5-10(2)12-8-6-7-9-13(12,4)15-11(3)14/h10,12H,5-9H2,1-4H3",C13H24O2,,,,,,NRQHBELEOZLJOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.474,276-444-6,72187-18-9,"Disodium [(9,10-dihydro-9,10-dioxoanthracene-1,4-diyl)diimino]bis(1,2,3,4-tetrahydronaphthalenesulphonate)","disodium 1,1'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diimino]di(1,2,3,4-tetrahydronaphthalene-1-sulfonate)",[Na+].[Na+].[O-]S(=O)(=O)C1(CCCc2ccccc12)Nc3ccc(NC4(CCCc5ccccc45)S(=O)(=O)[O-])c6C(=O)c7ccccc7C(=O)c36,[Na+].[Na+].[O-]S(=O)(=O)C1(CCCc2ccccc12)Nc3ccc(NC4(CCCc5ccccc45)S(=O)(=O)[O-])c6C(=O)c7ccccc7C(=O)c36,"InChI=1/C34H30N2O8S2.2Na/c37-31-23-13-3-4-14-24(23)32(38)30-28(36-34(46(42,43)44)20-8-12-22-10-2-6-16-26(22)34)18-17-27(29(30)31)35-33(45(39,40)41)19-7-11-21-9-1-5-15-25(21)33;;/h1-6,9-10,13-18,35-36H,7-8,11-12,19-20H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C34H30N2O8S2.2Na,,,,,,MPQDOGNZLSZTCU-UHFFFAOYSA-L,,,,,,,,,,,
100.069.478,276-448-8,72187-23-6,Dimethyl (3-hexyl-2-oxo-3-cyclopenten-1-yl)malonate,dimethyl (3-hexyl-2-oxocyclopent-3-en-1-yl)malonate,CCCCCCC1=CCC(C(C(=O)OC)C(=O)OC)C1=O,CCCCCCC1=CCC(C(C(=O)OC)C(=O)OC)C1=O,"InChI=1/C16H24O5/c1-4-5-6-7-8-11-9-10-12(14(11)17)13(15(18)20-2)16(19)21-3/h9,12-13H,4-8,10H2,1-3H3",C16H24O5,,,,,,QJSAZIYBBQRVEA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.082,271-612-5,68588-50-1,"Dodecyl 4-chloro-3,5-bis[(4,4-dimethyl-1,3-dioxopentyl)amino]benzoate","dodecyl 4-chloro-3,5-bis[(4,4-dimethyl-3-oxopentanoyl)amino]benzoate",CCCCCCCCCCCCOC(=O)c1cc(NC(=O)CC(=O)C(C)(C)C)c(Cl)c(NC(=O)CC(=O)C(C)(C)C)c1,CCCCCCCCCCCCOC(=O)c1cc(NC(=O)CC(=O)C(C)(C)C)c(Cl)c(NC(=O)CC(=O)C(C)(C)C)c1,"InChI=1/C33H51ClN2O6/c1-8-9-10-11-12-13-14-15-16-17-18-42-31(41)23-19-24(35-28(39)21-26(37)32(2,3)4)30(34)25(20-23)36-29(40)22-27(38)33(5,6)7/h19-20H,8-18,21-22H2,1-7H3,(H,35,39)(H,36,40)",C33H51ClN2O6,,,,,,YXVUOBYQSNUQSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.088,271-618-8,68599-63-3,"Dodecyl 4-chloro-3,5-diaminobenzoate","dodecyl 3,5-diamino-4-chlorobenzoate",CCCCCCCCCCCCOC(=O)c1cc(N)c(Cl)c(N)c1,CCCCCCCCCCCCOC(=O)c1cc(N)c(Cl)c(N)c1,"InChI=1/C19H31ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(21)18(20)17(22)14-15/h13-14H,2-12,21-22H2,1H3",C19H31ClN2O2,,,,,,XJRJTEVLZCXJBA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.005,274-828-8,70729-65-6,"Methyl N-[3-(acetylamino)-4-[(2,4-dinitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate","dimethyl 3,3'-({3-acetamido-4-[(2,4-dinitrophenyl)diazenyl]phenyl}imino)dipropanoate (non-preferred name)",COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(c2)NC(C)=O,COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c(c2)NC(C)=O,"InChI=1/C22H24N6O9/c1-14(29)23-19-12-15(26(10-8-21(30)36-2)11-9-22(31)37-3)4-6-17(19)24-25-18-7-5-16(27(32)33)13-20(18)28(34)35/h4-7,12-13H,8-11H2,1-3H3,(H,23,29)",C22H24N6O9,,,,,,FIIPIQBWGBRMTN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.008,274-831-4,70729-70-3,(3-chloro-2-hydroxypropyl)dimethyl[3-[(2-methyl-1-oxoallyl)amino]propyl]ammonium chloride,"3-chloro-2-hydroxy-N-[3-(methacryloylamino)propyl]-N,N-dimethylpropan-1-aminium chloride",[Cl-].CC(=C)C(=O)NCCC[N+](C)(C)CC(O)CCl,[Cl-].CC(=C)C(=O)NCCC[N+](C)(C)CC(O)CCl,"InChI=1/C12H23ClN2O2.ClH/c1-10(2)12(17)14-6-5-7-15(3,4)9-11(16)8-13;/h11,16H,1,5-9H2,2-4H3;1H",C12H24ClN2O2.Cl,,,,,,JREQELSWGZJGAH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.022,274-847-1,70751-30-3,2-(2-methoxyphenyl)-3-oxobutyronitrile,2-(2-methoxyphenyl)-3-oxobutanenitrile,COc1ccccc1C(C#N)C(=O)C,COc1ccccc1C(C#N)C(=O)C,"InChI=1/C11H11NO2/c1-8(13)10(7-12)9-5-3-4-6-11(9)14-2/h3-6,10H,1-2H3",C11H11NO2,,,,,,GGRUMFZLJSHJFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.023,274-848-7,70755-46-3,Dodecyldimethyltetradecylammonium bromide,"N-dodecyl-N,N-dimethyltetradecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,[Br-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,"InChI=1/C28H60N.BrH/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(3,4)27-25-23-21-19-16-14-12-10-8-6-2;/h5-28H2,1-4H3;1H/q+1;/p-1",C28H60N.Br,,,,,,VWOZKDKGQSCTLX-UHFFFAOYSA-M,,,,,,,,,,,
100.068.029,274-855-5,70766-50-6,"Methyl bis[(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl] phosphite","methyl bis(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-ylmethyl) phosphite",COP(OCC1CC2CC1C3C4CC(C=C4)C23)OCC5CC6CC5C7C8CC(C=C8)C67,COP(OCC1CC2CC1C3C4CC(C=C4)C23)OCC5CC6CC5C7C8CC(C=C8)C67,"InChI=1/C27H37O3P/c1-28-31(29-12-20-8-18-10-22(20)26-16-4-2-14(6-16)24(18)26)30-13-21-9-19-11-23(21)27-17-5-3-15(7-17)25(19)27/h2-5,14-27H,6-13H2,1H3",C27H37O3P,,,,,,UEMDWNLDOFKCLT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.033,274-859-7,70767-01-0,"3-(2,5-dihydro-3,4-dimethyl-2,5-dioxo-1H-pyrrol-1-yl)-N-[3-(methyldipropoxysilyl)propyl]phthalimide","4-(3,4-dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-{3-[methyl(dipropoxy)silyl]propyl}-1H-isoindole-1,3(2H)-dione",CCCO[Si](C)(CCCN1C(=O)c2cccc(N3C(=O)C(=C(C)C3=O)C)c2C1=O)OCCC,CCCO[Si](C)(CCCN1C(=O)c2cccc(N3C(=O)C(=C(C)C3=O)C)c2C1=O)OCCC,"InChI=1/C24H32N2O6Si/c1-6-13-31-33(5,32-14-7-2)15-9-12-25-23(29)18-10-8-11-19(20(18)24(25)30)26-21(27)16(3)17(4)22(26)28/h8,10-11H,6-7,9,12-15H2,1-5H3",C24H32N2O6Si,,,,,,ISPRFJNJHCBLAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.860,301-091-2,93981-09-0,N-(2-hydroxyethyl)anilinium hydrogen sulphate,N-(2-hydroxyethyl)anilinium hydrogen sulfate,OCC[NH2+]c1ccccc1.[O-]S(=O)(=O)[O-],OCC[NH2+]c1ccccc1.[O-]S(=O)(=O)[O-],"InChI=1/C8H11NO.H2O4S/c10-7-6-9-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,9-10H,6-7H2;(H2,1,2,3,4)/p-1",C8H11NO.H2O4S,,,,,,NNKYSIRIWMMQFW-UHFFFAOYSA-M,,,,,,,,,,,
100.091.862,301-093-3,93981-11-4,"Trimagnesium bis[2,2',2''-[methylidynetris(thio)]trisacetate]","trimagnesium bis[2,2',2''-[methylidynetris(thio)]trisacetate]",[Mg+2].[Mg+2].[Mg+2].[O-]C(=O)CSC(SCC(=O)[O-])SCC(=O)[O-].[O-]C(=O)CSC(SCC(=O)[O-])SCC(=O)[O-],[Mg+2].[Mg+2].[Mg+2].[O-]C(=O)CSC(SCC(=O)[O-])SCC(=O)[O-].[O-]C(=O)CSC(SCC(=O)[O-])SCC(=O)[O-],"InChI=1/2C7H10O6S3.3Mg/c2*8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13;;;/h2*7H,1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;;3*+2/p-6",C7H10O6S3.3/2Mg,,,,,,IRRZUCQACRRTGE-UHFFFAOYSA-H,,,,,,,,,,,
100.091.863,301-094-9,93981-12-5,1-methylheptyl cyclopent-2-ene-1-acetate,1-methylheptyl cyclopent-2-en-1-ylacetate,CCCCCCC(C)OC(=O)CC1CCC=C1,CCCCCCC(C)OC(=O)CC1CCC=C1,"InChI=1/C15H26O2/c1-3-4-5-6-9-13(2)17-15(16)12-14-10-7-8-11-14/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3",C15H26O2,,,,,,DGKKEXMAGIKVTE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.864,301-095-4,93981-13-6,Diethyl allyl-2-cyclopenten-1-ylmalonate,diethyl allyl(cyclopent-2-en-1-yl)malonate,CCOC(=O)C(CC=C)(C1CCC=C1)C(=O)OCC,CCOC(=O)C(CC=C)(C1CCC=C1)C(=O)OCC,"InChI=1/C15H22O4/c1-4-11-15(13(16)18-5-2,14(17)19-6-3)12-9-7-8-10-12/h4,7,9,12H,1,5-6,8,10-11H2,2-3H3",C15H22O4,,,,,,ZJKBNCDQDWUIOF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.866,301-098-0,93981-16-9,3-[(3-methylthiazolidin-2-ylidene)methyl]-1H-isoindol-1-imine mono(toluene-4-sulphonate),"3-[(3-methyl-1,3-thiazolidin-2-ylidene)methyl]-1H-isoindol-1-imine 4-methylbenzenesulfonate",CN3CCSC3=C/C1=N/C(=N)c2ccccc12.OS(=O)(=O)c1ccc(C)cc1,CN3CCSC3=C/C1=N/C(=N)c2ccccc12.OS(=O)(=O)c1ccc(C)cc1,"InChI=1/C13H13N3S.C7H8O3S/c1-16-6-7-17-12(16)8-11-9-4-2-3-5-10(9)13(14)15-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,8,14H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)",C13H13N3S.C7H8O3S,,,,,,JRIUPQDHOKFVKV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.867,301-099-6,93981-17-0,[bis(2-hydroxypropyl)amino]-o-cresol,3-[bis(2-hydroxypropyl)amino]-2-methylphenol,CC(O)CN(CC(C)O)c1cccc(O)c1C,CC(O)CN(CC(C)O)c1cccc(O)c1C,"InChI=1/C13H21NO3/c1-9(15)7-14(8-10(2)16)12-5-4-6-13(17)11(12)3/h4-6,9-10,15-17H,7-8H2,1-3H3",C13H21NO3,,,,,,GNSQRKVWTFNFIY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.872,301-105-7,93981-22-7,4-(2-ethylhexyl) 1-(octadec-9-enyl) malate,4-(2-ethylhexyl) 1-octadec-9-en-1-yl malate,O=C(CC(O)C(=O)OCCCCCCCCC=CCCCCCCCC)OCC(CC)CCCC,O=C(CC(O)C(=O)OCCCCCCCCC=CCCCCCCCC)OCC(CC)CCCC,"InChI=1/C30H56O5/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-34-30(33)28(31)25-29(32)35-26-27(6-3)23-8-5-2/h14-15,27-28,31H,4-13,16-26H2,1-3H3",C30H56O5,,,,,,SXJPEFGFOXWMFO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.900,298-938-0,93840-72-3,Barium bis[3-(2-hydroxyoctyl)oxiran-2-octanoate],barium bis{8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate},[Ba+2].CCCCCCC(O)CC1OC1CCCCCCCC(=O)[O-].CCCCCCC(O)CC2OC2CCCCCCCC(=O)[O-],[Ba+2].CCCCCCC(O)CC1OC1CCCCCCCC(=O)[O-].CCCCCCC(O)CC2OC2CCCCCCCC(=O)[O-],"InChI=1/2C18H34O4.Ba/c2*1-2-3-4-8-11-15(19)14-17-16(22-17)12-9-6-5-7-10-13-18(20)21;/h2*15-17,19H,2-14H2,1H3,(H,20,21);/q;;+2/p-2",C18H34O4.1/2Ba,,,,,,UUPSFWYXWWOILT-UHFFFAOYSA-L,,,,,,,,,,,
100.089.901,298-939-6,93840-73-4,N-(3-aminopropyl)-N-tetradecyl-D-gluconamide,"N-(3-aminopropyl)-2,3,4,5,6-pentahydroxy-N-tetradecylhexanamide (non-preferred name)",CCCCCCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C23H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(17-14-15-24)23(31)22(30)21(29)20(28)19(27)18-26/h19-22,26-30H,2-18,24H2,1H3",C23H48N2O6,,,,,,UAVRZMKKFUTHLG-YUMYIRISSA-N,,,,,,,,,,,
100.089.903,298-941-7,93840-75-6,"7,8-dimethoxyoct-1-ene","7,8-dimethoxyoct-1-ene",COCC(CCCCC=C)OC,COCC(CCCCC=C)OC,"InChI=1/C10H20O2/c1-4-5-6-7-8-10(12-3)9-11-2/h4,10H,1,5-9H2,2-3H3",C10H20O2,,,,,,NAOGXLWCFLVHSB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.118,299-177-7,93857-43-3,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H6F35O4P.2H3N/c20-3(21,1-2-58-59(55,56)57)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)16(45,46)14(41,42)12(37,38)10(33,34)8(29,30)6(25,26)4(22,18(49,50)51)19(52,53)54;;/h1-2H2,(H2,55,56,57);2*1H3",C19H6F35O4P.2H3N,,,,,,RNSUNZPZYYXRNY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.119,299-178-2,93857-44-4,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H6F17O4P.2H3N/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;;/h1-2H2,(H2,28,29,30);2*1H3",C10H6F17O4P.2H3N,,,,,,JORZSJZWIWDUEC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.121,299-180-3,93857-46-6,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H6F25O4P.2H3N/c15-3(16,1-2-43-44(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39;;/h1-2H2,(H2,40,41,42);2*1H3",C14H6F25O4P.2H3N,,,,,,XZJXCSDVEJUEAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.124,299-184-5,93857-49-9,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C11H6F19O4P.2H3N/c12-3(13,1-2-34-35(31,32)33)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30;;/h1-2H2,(H2,31,32,33);2*1H3",C11H6F19O4P.2H3N,,,,,,HCQGYUVUXSAUDM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.515,286-397-3,85232-76-4,2-methyl-1-(1-methylbicyclo[2.2.1]hept-5-en-2-yl)pent-1-en-3-ol,2-methyl-1-(1-methylbicyclo[2.2.1]hept-5-en-2-yl)pent-1-en-3-ol,CCC(O)C(C)=CC2CC1/C=C\\C2(C)C1,CCC(O)C(C)=CC2CC1/C=C\C2(C)C1,"InChI=1/C14H22O/c1-4-13(15)10(2)7-12-8-11-5-6-14(12,3)9-11/h5-7,11-13,15H,4,8-9H2,1-3H3",C14H22O,,,,,,HBRAQFPKBXTVBT-UHFFFAOYSA-N,,,,,,,,,,,
100.078.516,286-398-9,85237-39-4,"3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(5-chloro-o-tolyl)benzamide]","3,3'-{(2-chloro-5-methyl-1,4-phenylene)bis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}bis[4-chloro-N-(5-chloro-2-methylphenyl)benzamide]",Clc4ccc(cc4N=NC(=O)C(Nc3cc(C)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cc(Cl)ccc2C)cc3Cl)C(C)=O)C(=O)Nc5cc(Cl)ccc5C,Clc4ccc(cc4N=NC(=O)C(Nc3cc(C)c(NC(C(C)=O)C(=O)N=Nc1cc(ccc1Cl)C(=O)Nc2cc(Cl)ccc2C)cc3Cl)C(C)=O)C(=O)Nc5cc(Cl)ccc5C,"InChI=1/C43H35Cl5N8O6/c1-20-6-10-27(44)17-32(20)51-40(59)25-8-12-29(46)36(15-25)53-55-42(61)38(23(4)57)49-34-19-31(48)35(14-22(34)3)50-39(24(5)58)43(62)56-54-37-16-26(9-13-30(37)47)41(60)52-33-18-28(45)11-7-21(33)2/h6-19,38-39,49-50H,1-5H3,(H,51,59)(H,52,60)",C43H35Cl5N8O6,,,,,,USINIJQOGQKBGB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.521,286-403-4,85237-44-1,2-(ethylsulphonyl)-5-(trifluoromethyl)benzenediazonium tetrachlorozincate (2:1),bis[2-(ethylsulfonyl)-5-(trifluoromethyl)benzenediazonium] tetrachlorozincate(2-),CCS(=O)(=O)c1ccc(cc1[N+]#N)C(F)(F)F.CCS(=O)(=O)c2ccc(cc2[N+]#N)C(F)(F)F.Cl[Zn-2](Cl)(Cl)Cl,CCS(=O)(=O)c1ccc(cc1[N+]#N)C(F)(F)F.CCS(=O)(=O)c2ccc(cc2[N+]#N)C(F)(F)F.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C9H8F3N2O2S.4ClH.Zn/c2*1-2-17(15,16)8-4-3-6(9(10,11)12)5-7(8)14-13;;;;;/h2*3-5H,2H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H8F3N2O2S.Cl4Zn/c2*1-2-17(15,16)8-4-3-6(9(10,11)12)5-7(8)14-13;1-5(2,3)4/h2*3-5H,2H2,1H3;/q2*+1;-2",C9H8F3N2O2S.1/2Cl4Zn,,,,,,PIAFKPKHGFMGRX-UHFFFAOYSA-J,,,,,,,,,,,
100.062.488,268-757-1,68134-61-2,"6'-(diethylamino)-2'-[[3-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-2'-{[3-(trifluoromethyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(Nc4cccc(c4)C(F)(F)F)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3ccc(Nc4cccc(c4)C(F)(F)F)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C31H25F3N2O3/c1-3-36(4-2)22-13-14-25-28(18-22)38-27-15-12-21(35-20-9-7-8-19(16-20)31(32,33)34)17-26(27)30(25)24-11-6-5-10-23(24)29(37)39-30/h5-18,35H,3-4H2,1-2H3",C31H25F3N2O3,,,,,,MIQPMCGYNFUTPE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.330,276-286-8,72011-13-3,4-[(2-chloro-6-methylphenyl)azo]-3-hydroxy-2-naphthoic acid,4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxy-2-naphthoic acid,Clc3cccc(C)c3N=Nc1c2ccccc2cc(C(O)=O)c1O,Clc3cccc(C)c3N=Nc1c2ccccc2cc(C(O)=O)c1O,"InChI=1/C18H13ClN2O3/c1-10-5-4-8-14(19)15(10)20-21-16-12-7-3-2-6-11(12)9-13(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24)",C18H13ClN2O3,,,,,,TVWUCWHOXKMEBG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.334,276-291-5,72017-26-6,(sulphonyldiimino)bisbenzoic acid,2-{[(2-carboxyphenyl)sulfamoyl]amino}benzoic acid,OC(=O)c1ccccc1NS(=O)(=O)Nc2ccccc2C(=O)O,OC(=O)c1ccccc1NS(=O)(=O)Nc2ccccc2C(=O)O,"InChI=1/C14H12N2O6S/c17-13(18)9-5-1-3-7-11(9)15-23(21,22)16-12-8-4-2-6-10(12)14(19)20/h1-8,15-16H,(H,17,18)(H,19,20)",C14H12N2O6S,,,,,,JHQQIVLTXNUMPL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.346,276-303-9,72018-28-1,Calcium tridecan-1-yl sulphate,-,[Ca+2].CCCCCCCCCCCCCOS(=O)(=O)[O-],[Ca+2].CCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C13H28O4S.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+2/p-1",C13H28O4S.1/2Ca,,,,,,VOSOTCDANDNTRY-UHFFFAOYSA-M,,,,,,,,,,,
100.069.349,276-307-0,72050-94-3,"(Z,Z)-N,N2-bis[3-(octadec-9-enylamino)propyl]-L-asparagine","N,N~2~-bis[3-(octadec-9-en-1-ylamino)propyl]-L-asparagine",CCCCCCCC\\C=C/CCCCCCCCNCCCN[C@@H](CC(=O)NCCCNCCCCCCCC\\C=C/CCCCCCCC)C(=O)O,CCCCCCCC\C=C/CCCCCCCCNCCCN[C@@H](CC(=O)NCCCNCCCCCCCC\C=C/CCCCCCCC)C(=O)O,"InChI=1/C46H90N4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-47-39-35-41-49-44(46(52)53)43-45(51)50-42-36-40-48-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44,47-49H,3-16,21-43H2,1-2H3,(H,50,51)(H,52,53)",C46H90N4O3,,,,,,ZAUXBVWOUAHDNE-DNQOEQQESA-N,,,,,,,,,,,
100.069.357,276-315-4,72066-77-4,Methyl 4-[[[3-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]-4-methylphenyl]sulphonyl]oxy]benzoate,methyl 4-({[3-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)-4-methylphenyl]sulfonyl}oxy)benzoate,COc5ccccc5NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2C)S(=O)(=O)Oc3ccc(cc3)C(=O)OC)c4O,COc5ccccc5NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2C)S(=O)(=O)Oc3ccc(cc3)C(=O)OC)c4O,"InChI=1/C33H27N3O8S/c1-20-12-17-24(45(40,41)44-23-15-13-21(14-16-23)33(39)43-3)19-28(20)35-36-30-25-9-5-4-8-22(25)18-26(31(30)37)32(38)34-27-10-6-7-11-29(27)42-2/h4-19,37H,1-3H3,(H,34,38)",C33H27N3O8S,,,,,,JZUDMLNXWNHULI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.358,276-317-5,72066-78-5,"2,5-dimethoxy-N,N-dimethylbenzene-1,4-diamine","2,5-dimethoxy-N,N-dimethylbenzene-1,4-diamine",COc1cc(N(C)C)c(OC)cc1N,COc1cc(N(C)C)c(OC)cc1N,"InChI=1/C10H16N2O2/c1-12(2)8-6-9(13-3)7(11)5-10(8)14-4/h5-6H,11H2,1-4H3",C10H16N2O2,,,,,,STJUHIUVWHDFMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.359,276-318-0,72066-82-1,"Phthalic acid, compound with 1,3,5-triazine-2,4,6-triamine","phthalic acid - 1,3,5-triazine-2,4,6-triamine (1:1)",Nc1nc(N)nc(N)n1.OC(=O)c2ccccc2C(=O)O,Nc1nc(N)nc(N)n1.OC(=O)c2ccccc2C(=O)O,"InChI=1/C8H6O4.C3H6N6/c9-7(10)5-3-1-2-4-6(5)8(11)12;4-1-7-2(5)9-3(6)8-1/h1-4H,(H,9,10)(H,11,12);(H6,4,5,6,7,8,9)",C8H6O4.xC3H6N6,,,,,,OBNAOHSAPQWLGU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.364,276-323-8,72087-37-7,L-ornithine (4-methyl-2-oxopentanoate),4-methyl-2-oxopentanoic acid - L-ornithine (1:1),CC(C)CC(=O)C(=O)O.NCCC[C@H](N)C(=O)O,CC(C)CC(=O)C(=O)O.NCCC[C@H](N)C(=O)O,"InChI=1/C6H10O3.C5H12N2O2/c1-4(2)3-5(7)6(8)9;6-3-1-2-4(7)5(8)9/h4H,3H2,1-2H3,(H,8,9);4H,1-3,6-7H2,(H,8,9)",C6H10O3.C5H12N2O2,,,,,,UMQFXFDTFNTJRK-VWMHFEHESA-N,,,,,,,,,,,
100.069.365,276-324-3,72087-38-8,L-ornithine (3-methyl-2-oxobutyrate),3-methyl-2-oxobutanoic acid - L-ornithine (1:1),CC(C)C(=O)C(=O)O.NCCC[C@H](N)C(=O)O,CC(C)C(=O)C(=O)O.NCCC[C@H](N)C(=O)O,"InChI=1/C5H12N2O2.C5H8O3/c6-3-1-2-4(7)5(8)9;1-3(2)4(6)5(7)8/h4H,1-3,6-7H2,(H,8,9);3H,1-2H3,(H,7,8)",C5H12N2O2.C5H8O3,,,,,,IUQCXXQQMQULHI-WCCKRBBISA-N,,,,,,,,,,,
100.069.369,276-329-0,72088-86-9,"4-[(3,4-dichlorophenyl)azo]-N-(2-ethylphenyl)-3-hydroxynaphthalene-2-carboxamide","4-[(3,4-dichlorophenyl)diazenyl]-N-(2-ethylphenyl)-3-hydroxy-2-naphthamide",Clc4ccc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1CC)c2O)cc4Cl,Clc4ccc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1CC)c2O)cc4Cl,"InChI=1/C25H19Cl2N3O2/c1-2-15-7-4-6-10-22(15)28-25(32)19-13-16-8-3-5-9-18(16)23(24(19)31)30-29-17-11-12-20(26)21(27)14-17/h3-14,31H,2H2,1H3,(H,28,32)",C25H19Cl2N3O2,,,,,,VWWJVCHVKLUVNS-UHFFFAOYSA-N,,,,,,,,,,,
100.064.977,271-496-6,68568-54-7,"Potassium 2,3,4,5-tetrachloro-6-[[[3-[[(nonafluorobutyl)sulphonyl]oxy]phenyl]amino]carbonyl]benzoate","potassium 2,3,4,5-tetrachloro-6-[(3-{[(nonafluorobutyl)sulfonyl]oxy}phenyl)carbamoyl]benzoate",[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,[K+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2,"InChI=1/C18H6Cl4F9NO6S.K/c19-9-7(8(14(34)35)10(20)12(22)11(9)21)13(33)32-5-2-1-3-6(4-5)38-39(36,37)18(30,31)16(25,26)15(23,24)17(27,28)29;/h1-4H,(H,32,33)(H,34,35);/q;+1/p-1",C18H6Cl4F9NO6S.K,,,,,,INYHBIMVXRCGAW-UHFFFAOYSA-M,,,,,,,,,,,
100.065.562,272-140-2,68751-90-6,5-chloro-2-hydroxy-4-methylbenzophenone,(5-chloro-2-hydroxy-4-methylphenyl)(phenyl)methanone,Cc1cc(O)c(cc1Cl)C(=O)c2ccccc2,Cc1cc(O)c(cc1Cl)C(=O)c2ccccc2,"InChI=1/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H3",C14H11ClO2,,,,,,IOGQACQRFGDUPT-UHFFFAOYSA-N,,,,,,,,,,,
100.065.564,272-142-3,68757-56-2,Zirconium(2+) oleate,zirconium(2+) dioctadec-9-enoate,[Zr+2].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Zr+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C18H34O2.Zr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2",C18H34O2.1/2Zr,,,,,,GUUOSEJLEPUSCW-CVBJKYQLSA-L,,,,,,,,,,,
100.065.566,272-144-4,68757-58-4,2-(hexyloxy)ethyl pivalate,2-(hexyloxy)ethyl pivalate,CCCCCCOCCOC(=O)C(C)(C)C,CCCCCCOCCOC(=O)C(C)(C)C,"InChI=1/C13H26O3/c1-5-6-7-8-9-15-10-11-16-12(14)13(2,3)4/h5-11H2,1-4H3",C13H26O3,,,,,,YSKDJKMFKJVKLA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.576,272-155-4,68758-80-5,"Dipotassium 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","dipotassium 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",[K+].[K+].[O-]C(=O)C1C2OC(C=C2)C1C(=O)[O-],[K+].[K+].[O-]C(=O)C1C2OC(C=C2)C1C(=O)[O-],"InChI=1/C8H8O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h1-6H,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H8O5.2K,,,,,,BAANVQIOFIZVQY-UHFFFAOYSA-L,,,,,,,,,,,
100.065.579,272-159-6,68758-84-9,Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-2-thioxothiazolidine-3-acetate,"N,N-diethylethanaminium [5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetate",CC[NH+](CC)CC.[O-]C(=O)CN1CC(SC1=S)=C3Sc2ccccc2N3CC,CC[NH+](CC)CC.[O-]C(=O)CN1CC(SC1=S)=C3Sc2ccccc2N3CC,"InChI=1/C14H14N2O2S3.C6H15N/c1-2-16-9-5-3-4-6-10(9)20-13(16)11-7-15(8-12(17)18)14(19)21-11;1-4-7(5-2)6-3/h3-6H,2,7-8H2,1H3,(H,17,18);4-6H2,1-3H3",C14H14N2O2S3.C6H15N,,,,,,BKUNFOIECQMVFV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.581,272-161-7,68758-86-1,Methyl 4-(methylamino)-4-oxobutyrate,methyl 4-(methylamino)-4-oxobutanoate,CNC(=O)CCC(=O)OC,CNC(=O)CCC(=O)OC,"InChI=1/C6H11NO3/c1-7-5(8)3-4-6(9)10-2/h3-4H2,1-2H3,(H,7,8)",C6H11NO3,,,,,,DLCZEMNBMNTMGI-UHFFFAOYSA-N,,,,,,,,,,,
100.065.584,272-164-3,68758-97-4,(carboxylatomethyl)dimethyl(2-stearoyloxyethyl)ammonium,{dimethyl[2-(stearoyloxy)ethyl]ammonio}acetate,CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CC(=O)[O-],"InChI=1/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-21-20-25(2,3)22-23(26)27/h4-22H2,1-3H3",C24H47NO4,,,,,,SAIRUYBSQSGGMI-UHFFFAOYSA-N,,,,,,,,,,,
100.065.590,272-171-1,68782-95-6,"Phosphoric acid, (1-methylethyl)phenyl phenyl ester",2-isopropylphenyl phenyl hydrogen phosphate,CC(C)c1ccccc1OP(=O)(O)Oc2ccccc2,CC(C)c1ccccc1OP(=O)(O)Oc2ccccc2,"InChI=1/C15H17O4P/c1-12(2)14-10-6-7-11-15(14)19-20(16,17)18-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,16,17)",-,,,,,,LPLPPIFARDQDDL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.501,275-374-3,71411-70-6,5-amino-N-butyl-2-methoxybenzenesulphonamide,5-amino-N-butyl-2-methoxybenzenesulfonamide,CCCCNS(=O)(=O)c1cc(N)ccc1OC,CCCCNS(=O)(=O)c1cc(N)ccc1OC,"InChI=1/C11H18N2O3S/c1-3-4-7-13-17(14,15)11-8-9(12)5-6-10(11)16-2/h5-6,8,13H,3-4,7,12H2,1-2H3",C11H18N2O3S,,,,,,UDWDZYCRDRQOCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.502,275-375-9,71411-71-7,"4-[[(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]sulphonyl]toluene-3-sulphonic acid","2-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)sulfamoyl]-5-methylbenzenesulfonic acid",Cc1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,Cc1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C21H16N2O7S2/c1-11-6-9-16(17(10-11)32(28,29)30)31(26,27)23-15-8-7-14(22)18-19(15)21(25)13-5-3-2-4-12(13)20(18)24/h2-10,23H,22H2,1H3,(H,28,29,30)",C21H16N2O7S2,,,,,,JHWMOBMLOQRENP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.503,275-376-4,71411-72-8,Barium bis(hydroxyacetate),barium bis(hydroxyacetate),[Ba+2].OCC(=O)[O-].OCC(=O)[O-],[Ba+2].OCC(=O)[O-].OCC(=O)[O-],"InChI=1/2C2H4O3.Ba/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q;;+2/p-2",C2H4O3.1/2Ba,,,,,,YIGIVHRFZMLNRO-UHFFFAOYSA-L,,,,,,,,,,,
100.068.505,275-379-0,71411-74-0,3-hydroxy-2-nitrosulphanilic acid,4-amino-3-hydroxy-2-nitrobenzenesulfonic acid,Nc1ccc(c(c1O)[N+](=O)[O-])S(=O)(=O)O,Nc1ccc(c(c1O)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C6H6N2O6S/c7-3-1-2-4(15(12,13)14)5(6(3)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)",C6H6N2O6S,,,,,,UGLVGAQTGSVVNK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.512,275-386-9,71411-81-9,6-ethoxybenzothiazol-2-amine monohydrochloride,"6-ethoxy-1,3-benzothiazol-2-amine hydrochloride",Cl.CCOc1ccc2nc(N)sc2c1,Cl.CCOc1ccc2nc(N)sc2c1,"InChI=1/C9H10N2OS.ClH/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7;/h3-5H,2H2,1H3,(H2,10,11);1H",C9H10N2OS.ClH,,,,,,BYUYQWDSFSVEPN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.513,275-387-4,71411-82-0,"Carbonic acid, compound with 1-methylhexylamine (1:1)",carbonic acid - heptan-2-amine (1:1),CCCCCC(C)N.OC(=O)O,CCCCCC(C)N.OC(=O)O,"InChI=1/C7H17N.CH2O3/c1-3-4-5-6-7(2)8;2-1(3)4/h7H,3-6,8H2,1-2H3;(H2,2,3,4)",C7H17N.CH2O3,,,,,,JDCURCGHXUJPSR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.249,275-097-8,70994-14-8,10-oxo-6-decenoic acid,10-oxodec-6-enoic acid,OC(=O)CCCCC=CCCC=O,OC(=O)CCCCC=CCCC=O,"InChI=1/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1,3,9H,2,4-8H2,(H,12,13)",C10H16O3,,,,,,ZCHRTZZNBMFOMU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.880,275-792-6,71662-26-5,"3,7-dimethyloctyl isovalerate","3,7-dimethyloctyl 3-methylbutanoate",CC(C)CCCC(C)CCOC(=O)CC(C)C,CC(C)CCCC(C)CCOC(=O)CC(C)C,"InChI=1/C15H30O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h12-14H,6-11H2,1-5H3",C15H30O2,,,,,,SJACRECVLUMNHU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.883,275-795-2,71662-29-8,9-amino-8-methylphenazin-2-ol,9-amino-8-methylphenazin-2-ol,Cc1ccc2nc3ccc(O)cc3nc2c1N,Cc1ccc2nc3ccc(O)cc3nc2c1N,"InChI=1/C13H11N3O/c1-7-2-4-10-13(12(7)14)16-11-6-8(17)3-5-9(11)15-10/h2-6,17H,14H2,1H3",C13H11N3O,,,,,,LPJYJEOWTXQTAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.884,275-796-8,71662-30-1,9-aminophenazin-2-ol,9-aminophenazin-2-ol,Nc1cccc2nc3ccc(O)cc3nc12,Nc1cccc2nc3ccc(O)cc3nc12,"InChI=1/C12H9N3O/c13-8-2-1-3-10-12(8)15-11-6-7(16)4-5-9(11)14-10/h1-6,16H,13H2",C12H9N3O,,,,,,XPOJAXMKQSHIFH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.889,275-801-3,71662-35-6,Heptyltetrahydrofuran,2-heptyltetrahydrofuran,CCCCCCCC1CCCO1,CCCCCCCC1CCCO1,"InChI=1/C11H22O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h11H,2-10H2,1H3",C11H22O,,,,,,VBQKNJGYWOBPMY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.899,275-812-3,71672-76-9,"N-ethoxypropane-1,3-diamine","N-ethoxypropane-1,3-diamine",CCONCCCN,CCONCCCN,"InChI=1/C5H14N2O/c1-2-8-7-5-3-4-6/h7H,2-6H2,1H3",C5H14N2O,,,,,,NWVPYCZIOIVGEW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.904,275-818-6,71672-82-7,2-hydroxypropyl salicylate,2-hydroxypropyl salicylate,CC(O)COC(=O)c1ccccc1O,CC(O)COC(=O)c1ccccc1O,"InChI=1/C10H12O4/c1-7(11)6-14-10(13)8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3",C10H12O4,,,,,,CEGJMSLTYGORDN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.908,275-822-8,71672-87-2,Iron tris(4-cyclohexylbutyrate),iron(3+) tris(4-cyclohexylbutanoate),[Fe+3].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2.[O-]C(=O)CCCC3CCCCC3,[Fe+3].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2.[O-]C(=O)CCCC3CCCCC3,"InChI=1/3C10H18O2.Fe/c3*11-10(12)8-4-7-9-5-2-1-3-6-9;/h3*9H,1-8H2,(H,11,12);/q;;;+3/p-3",C10H18O2.1/3Fe,,,,,,HJDHBAIMDQRBBH-UHFFFAOYSA-K,,,,,,,,,,,
100.068.915,275-830-1,71675-63-3,"N-cyanoformamide, sodium salt",-,[Na+].O=CNC#N,[Na+].O=CNC#N,"InChI=1/C2H2N2O.Na/c3-1-4-2-5;/h2H,(H,4,5);/q;+1",C2H2N2O.Na,,,,,,NKUIHGRTFRNKEU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.167,268-404-1,68083-55-6,"2,4-dimethylphenylacetaldehyde","(2,4-dimethylphenyl)acetaldehyde",Cc1ccc(CC=O)c(C)c1,Cc1ccc(CC=O)c(C)c1,"InChI=1/C10H12O/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,6-7H,5H2,1-2H3",C10H12O,,,,,,OVRAXHLRVJRNPG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.171,268-408-3,68083-83-0,4-hydroxy-N-(2-hydroxyethyl)-N-methylbutyramide,4-hydroxy-N-(2-hydroxyethyl)-N-methylbutanamide,CN(CCO)C(=O)CCCO,CN(CCO)C(=O)CCCO,"InChI=1/C7H15NO3/c1-8(4-6-10)7(11)3-2-5-9/h9-10H,2-6H2,1H3",C7H15NO3,,,,,,DORXJCORWAVZTD-UHFFFAOYSA-N,,,,,,,,,,,
100.062.172,268-409-9,68083-86-3,Cerium(3+) hexafluorosilicate(2-),cerium(3+) hexafluorosilicate(2-),[Ce+3].[Ce+3].F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F,[Ce+3].[Ce+3].F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F.F[Si-2](F)(F)(F)(F)F,"InChI=1/2Ce.3F6Si/c;;3*1-7(2,3,4,5)6/q2*+3;3*-2",Ce.3/2F6Si,,,,,,IVQXJLHOQVDGTK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.174,268-412-5,68083-98-7,"Zinc(2+) 3,5-bis(1-phenylethyl)salicylate","zinc bis[2-hydroxy-3,5-bis(1-phenylethyl)benzoate]",[Zn+2].CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(O)c(c2)C(=O)[O-].CC(c4ccccc4)c5cc(C(C)c6ccccc6)c(O)c(c5)C(=O)[O-],[Zn+2].CC(c1ccccc1)c2cc(C(C)c3ccccc3)c(O)c(c2)C(=O)[O-].CC(c4ccccc4)c5cc(C(C)c6ccccc6)c(O)c(c5)C(=O)[O-],"InChI=1/2C23H22O3.Zn/c2*1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18;/h2*3-16,24H,1-2H3,(H,25,26);/q;;+2/p-2",C23H22O3.1/2Zn,,,,,,XTUPUYCJWKHGSW-UHFFFAOYSA-L,,,,,,,,,,,
100.062.180,268-418-8,68084-05-9,2-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile,2-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbonitrile,CC(=CCCC1C=CCCC1C#N)C,CC(=CCCC1C=CCCC1C#N)C,"InChI=1/C13H19N/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h3,6-7,12-13H,4-5,8-9H2,1-2H3",C13H19N,,,,,,ZJTPYSDRFRXYMI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.186,268-425-6,68084-13-9,"Trisodium 7-[[4-[(sulphonatomethyl)amino]phenyl]azo]naphthalene-1,3-disulphonate","trisodium 7-({4-[(sulfonatomethyl)amino]phenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(cc1)NCS([O-])(=O)=O)cc23)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(cc1)NCS([O-])(=O)=O)cc23)S([O-])(=O)=O,"InChI=1/C17H15N3O9S3.3Na/c21-30(22,23)10-18-12-3-5-13(6-4-12)19-20-14-2-1-11-7-15(31(24,25)26)9-17(16(11)8-14)32(27,28)29;;;/h1-9,18H,10H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3",C17H15N3O9S3.3Na,,,,,,BUCCTKQQPWMCOW-UHFFFAOYSA-K,,,,,,,,,,,
100.078.522,286-405-5,85237-45-2,5-benzylsulphonyl-2-methoxybenzenediazonium tetrachlorozincate (2:1),bis[5-(benzylsulfonyl)-2-methoxybenzenediazonium] tetrachlorozincate(2-),COc1ccc(cc1[N+]#N)S(=O)(=O)Cc2ccccc2.COc3ccc(cc3[N+]#N)S(=O)(=O)Cc4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,COc1ccc(cc1[N+]#N)S(=O)(=O)Cc2ccccc2.COc3ccc(cc3[N+]#N)S(=O)(=O)Cc4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H13N2O3S.4ClH.Zn/c2*1-19-14-8-7-12(9-13(14)16-15)20(17,18)10-11-5-3-2-4-6-11;;;;;/h2*2-9H,10H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H13N2O3S.Cl4Zn/c2*1-19-14-8-7-12(9-13(14)16-15)20(17,18)10-11-5-3-2-4-6-11;1-5(2,3)4/h2*2-9H,10H2,1H3;/q2*+1;-2",C14H13N2O3S.1/2Cl4Zn,,,,,,GSCLOVZYWKSTIC-UHFFFAOYSA-J,,,,,,,,,,,
100.078.529,286-412-3,85237-53-2,[(1-amino-2-naphthyl)oxy]acetic acid,[(1-amino-2-naphthyl)oxy]acetic acid,Nc1c(OCC(=O)O)ccc2ccccc12,Nc1c(OCC(=O)O)ccc2ccccc12,"InChI=1/C12H11NO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7,13H2,(H,14,15)",C12H11NO3,,,,,,YUDGWDNZKSVTHL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.539,286-423-3,85237-63-4,2-(1-methylpiperidin-4-yl)pyridine,2-(1-methylpiperidin-4-yl)pyridine,CN1CCC(CC1)c2ccccn2,CN1CCC(CC1)c2ccccn2,"InChI=1/C11H16N2/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11/h2-4,7,10H,5-6,8-9H2,1H3",C11H16N2,,,,,,VIPMWEOMYMZBAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.545,286-430-1,85237-69-0,2-(4-methylcyclohexyl)piperidine,2-(4-methylcyclohexyl)piperidine,CC1CCC(CC1)C2CCCCN2,CC1CCC(CC1)C2CCCCN2,"InChI=1/C12H23N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h10-13H,2-9H2,1H3",C12H23N,,,,,,JBVLZTOPFKHUJA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.548,286-433-8,85237-72-5,"5,6,7,8,9,10,11,12-octahydrocyclodeca[b]pyridine","5,6,7,8,9,10,11,12-octahydrocyclodeca[b]pyridine",C1CCCCc2ncccc2CCC1,C1CCCCc2ncccc2CCC1,"InChI=1/C13H19N/c1-2-4-6-10-13-12(8-5-3-1)9-7-11-14-13/h7,9,11H,1-6,8,10H2",C13H19N,,,,,,BHNLTTSWHMADPU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.554,286-440-6,85237-78-1,"2,6-di-tert-butyl-1-methylpiperidine","2,6-di-tert-butyl-1-methylpiperidine",CN1C(CCCC1C(C)(C)C)C(C)(C)C,CN1C(CCCC1C(C)(C)C)C(C)(C)C,"InChI=1/C14H29N/c1-13(2,3)11-9-8-10-12(15(11)7)14(4,5)6/h11-12H,8-10H2,1-7H3",C14H29N,,,,,,GWIVMGASCWOOFD-UHFFFAOYSA-N,,,,,,,,,,,
100.088.013,296-859-6,93144-07-1,"N,N'-bis(2-ethoxyethyl)-p-xylene-a,a'-diamine","N,N'-[1,4-phenylenebis(methylene)]bis(2-ethoxyethanamine)",CCOCCNCc1ccc(CNCCOCC)cc1,CCOCCNCc1ccc(CNCCOCC)cc1,"InChI=1/C16H28N2O2/c1-3-19-11-9-17-13-15-5-7-16(8-6-15)14-18-10-12-20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3",C16H28N2O2,,,,,,PXNFRRGZKFZDOU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.904,298-942-2,93840-76-7,"4-(3-methoxyprop-1-en-1-yl)-1,3-dimethylcyclohexene","3-(2,4-dimethylcyclohex-3-en-1-yl)prop-2-en-1-yl methyl ether",CC1\\C=C(\\C)CCC1C=CCOC,CC1\C=C(\C)CCC1C=CCOC,"InChI=1/C12H20O/c1-10-6-7-12(11(2)9-10)5-4-8-13-3/h4-5,9,11-12H,6-8H2,1-3H3",C12H20O,,,,,,HCRGRVZLFBLUGI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.905,298-943-8,93840-77-8,"4-(2,5-dimethylcyclohexylidene)-2-butenal","4-(2,5-dimethylcyclohexylidene)but-2-enal",CC1CC(=CC=CC=O)C(C)CC1,CC1CC(=CC=CC=O)C(C)CC1,"InChI=1/C12H18O/c1-10-6-7-11(2)12(9-10)5-3-4-8-13/h3-5,8,10-11H,6-7,9H2,1-2H3",C12H18O,,,,,,GJCPNEBGQGWASY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.909,298-948-5,93840-81-4,"3,6-dimethyl-1-oxaspiro[4.5]decan-2-one","3,6-dimethyl-1-oxaspiro[4.5]decan-2-one",CC1CC2(CCCCC2C)OC1=O,CC1CC2(CCCCC2C)OC1=O,"InChI=1/C11H18O2/c1-8-7-11(13-10(8)12)6-4-3-5-9(11)2/h8-9H,3-7H2,1-2H3",C11H18O2,,,,,,GMYXUTYETGXPOS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.910,298-949-0,93840-82-5,5-ethylnon-2-en-1-ol,5-ethylnon-2-en-1-ol,CCC(CCCC)CC=CCO,CCC(CCCC)CC=CCO,"InChI=1/C11H22O/c1-3-5-8-11(4-2)9-6-7-10-12/h6-7,11-12H,3-5,8-10H2,1-2H3",C11H22O,,,,,,JOUGWEAOYMZAGM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.913,298-952-7,93840-85-8,"2-(4-methoxybutylidene)-1,3,3-trimethylbicyclo[2.2.1]heptane","2-(4-methoxybutylidene)-1,3,3-trimethylbicyclo[2.2.1]heptane",CC2(C)C1CCC(C)(C1)C2=CCCCOC,CC2(C)C1CCC(C)(C1)C2=CCCCOC,"InChI=1/C15H26O/c1-14(2)12-8-9-15(3,11-12)13(14)7-5-6-10-16-4/h7,12H,5-6,8-11H2,1-4H3",C15H26O,,,,,,XMLQMWOIFMVPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.916,298-955-3,93840-88-1,6-(4-methyl-3-cyclohexen-1-yl)hept-4-enal,6-(4-methylcyclohex-3-en-1-yl)hept-4-enal,CC(C=CCCC=O)C1C\\C=C(\\C)CC1,CC(C=CCCC=O)C1C\C=C(\C)CC1,"InChI=1/C14H22O/c1-12-7-9-14(10-8-12)13(2)6-4-3-5-11-15/h4,6-7,11,13-14H,3,5,8-10H2,1-2H3",C14H22O,,,,,,MAFITFSDTGHHDL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.938,298-979-4,93841-10-2,Bis(2-hydroxyethyl)(3-sulphonatopropyl)tetradecylammonium,3-[bis(2-hydroxyethyl)(tetradecyl)ammonio]propane-1-sulfonate,CCCCCCCCCCCCCC[N+](CCO)(CCO)CCCS(=O)(=O)[O-],CCCCCCCCCCCCCC[N+](CCO)(CCO)CCCS(=O)(=O)[O-],"InChI=1/C21H45NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22(17-19-23,18-20-24)16-14-21-28(25,26)27/h23-24H,2-21H2,1H3",C21H45NO5S,,,,,,WGCAVZRGIFXOPL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.939,298-981-5,93841-11-3,3-[[imino(methylphenylamino)methyl]thio]propanesulphonic acid,3-{[methyl(phenyl)carbamimidoyl]sulfanyl}propane-1-sulfonic acid,CN(C(=N)SCCCS(=O)(=O)O)c1ccccc1,CN(C(=N)SCCCS(=O)(=O)O)c1ccccc1,"InChI=1/C11H16N2O3S2/c1-13(10-6-3-2-4-7-10)11(12)17-8-5-9-18(14,15)16/h2-4,6-7,12H,5,8-9H2,1H3,(H,14,15,16)",C11H16N2O3S2,,,,,,VXYYBOYEQWTFHI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.978,271-497-1,68568-55-8,"(4-amino-2,5-diethoxyphenyl) phenyl ketone","(4-amino-2,5-diethoxyphenyl)(phenyl)methanone",CCOc1cc(C(=O)c2ccccc2)c(OCC)cc1N,CCOc1cc(C(=O)c2ccccc2)c(OCC)cc1N,"InChI=1/C17H19NO3/c1-3-20-15-11-14(18)16(21-4-2)10-13(15)17(19)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3",C17H19NO3,,,,,,JJQRIDJHQBSNFI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.984,271-503-2,68568-81-0,"2-(3,7-dimethyloct-6-enyl)-4,4,6-trimethyl-1,3-dioxane","2-(3,7-dimethyloct-6-en-1-yl)-4,4,6-trimethyl-1,3-dioxane",CC(CCC=C(C)C)CCC1OC(C)CC(C)(C)O1,CC(CCC=C(C)C)CCC1OC(C)CC(C)(C)O1,"InChI=1/C17H32O2/c1-13(2)8-7-9-14(3)10-11-16-18-15(4)12-17(5,6)19-16/h8,14-16H,7,9-12H2,1-6H3",C17H32O2,,,,,,GLPCRNNIZYRLPH-UHFFFAOYSA-N,,,,,,,,,,,
100.064.985,271-504-8,68568-82-1,"Calcium 2,2'-[[[(2-hydroxy-5-octylphenyl)methyl]imino]bis(ethane-1,2-diyliminomethylene)]bis[4-octylphenolate]","calcium 2,2'-{[(2-hydroxy-5-octylbenzyl)imino]bis(ethane-2,1-diyliminomethylene)}bis(4-octylphenolate)",[Ca+2].CCCCCCCCc1ccc([O-])c(CNCCN(CCNCc2cc(CCCCCCCC)ccc2[O-])Cc3cc(CCCCCCCC)ccc3O)c1,[Ca+2].CCCCCCCCc1ccc([O-])c(CNCCN(CCNCc2cc(CCCCCCCC)ccc2[O-])Cc3cc(CCCCCCCC)ccc3O)c1,"InChI=1/C49H79N3O3.Ca/c1-4-7-10-13-16-19-22-41-25-28-47(53)44(35-41)38-50-31-33-52(40-46-37-43(27-30-49(46)55)24-21-18-15-12-9-6-3)34-32-51-39-45-36-42(26-29-48(45)54)23-20-17-14-11-8-5-2;/h25-30,35-37,50-51,53-55H,4-24,31-34,38-40H2,1-3H3;/q;+2/p-2",C49H79N3O3.xCa,,,,,,RWWNWXPUTUJRBY-UHFFFAOYSA-L,,,,,,,,,,,
100.064.988,271-507-4,68575-73-5,Butyl butoxyhydroxyacetate,butyl butoxy(hydroxy)acetate,CCCCOC(O)C(=O)OCCCC,CCCCOC(O)C(=O)OCCCC,"InChI=1/C10H20O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h9,11H,3-8H2,1-2H3",C10H20O4,,,,,,IVWCKBUPHQKJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.372,276-332-7,72089-07-7,"1,4,4a,5,6,7,8,8a-octahydro-5-methyl-1,4-methanonaphthalen-5-yl acetate","5-methyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-methanonaphthalen-5-yl acetate",CC(=O)OC1(C)CCCC2C3CC(C=C3)C12,CC(=O)OC1(C)CCCC2C3CC(C=C3)C12,"InChI=1/C14H20O2/c1-9(15)16-14(2)7-3-4-12-10-5-6-11(8-10)13(12)14/h5-6,10-13H,3-4,7-8H2,1-2H3",C14H20O2,,,,,,HSLYLHLFKJXFCS-UHFFFAOYSA-N,,,,,,,,,,,
100.069.373,276-333-2,72089-08-8,"ß,2,2,3-tetramethylcyclopent-3-ene-1-butanol","2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-1-ol",CC(CO)CCC1CC=C(C)C1(C)C,CC(CO)CCC1CC=C(C)C1(C)C,"InChI=1/C13H24O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h6,10,12,14H,5,7-9H2,1-4H3",C13H24O,,,,,,CYVGAJHMMVDTDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.774,271-272-8,68527-63-9,"Diethyl sulphate, compound with 2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazole-1-ethanol (1:1)","diethyl sulfate - 2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol (1:1)",OCCN1CC\\N=C1\\CCCCCCCC=CCCCCCCCC.O=S(=O)(OCC)OCC,OCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC.O=S(=O)(OCC)OCC,"InChI=1/C22H42N2O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-3-7-9(5,6)8-4-2/h9-10,25H,2-8,11-21H2,1H3;3-4H2,1-2H3",C22H42N2O.C4H10O4S,,,,,,VZRKETAUDBGCTG-UHFFFAOYSA-N,,,,,,,,,,,
100.064.776,271-274-9,68527-65-1,"N,N'-bis(3-aminopropyl)-N-[3-(dimethylamino)propyl]propane-1,3-diamine","N-(3-aminopropyl)-N-{3-[(3-aminopropyl)amino]propyl}-N',N'-dimethylpropane-1,3-diamine",CN(C)CCCN(CCCN)CCCNCCCN,CN(C)CCCN(CCCN)CCCNCCCN,"InChI=1/C14H35N5/c1-18(2)11-6-14-19(12-4-8-16)13-5-10-17-9-3-7-15/h17H,3-16H2,1-2H3",C14H35N5,,,,,,CHTMDIPJWQYHKG-UHFFFAOYSA-N,,,,,,,,,,,
100.064.783,271-282-2,68527-77-5,"2,4,6-trimethylcyclohex-3-ene-1-methanol","(2,4,6-trimethylcyclohex-3-en-1-yl)methanol",CC1CC(=CC(C)C1CO)C,CC1CC(=CC(C)C1CO)C,"InChI=1/C10H18O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,8-11H,5-6H2,1-3H3",C10H18O,,,,,,DMXUBGVVJLVCPB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.787,271-286-4,68527-81-1,"9,10-dihydro-9,9,10,10-tetramethylanthracene-2,3,6,7-tetrol","9,9,10,10-tetramethyl-9,10-dihydroanthracene-2,3,6,7-tetrol",CC1(C)c2cc(O)c(O)cc2C(C)(C)c3cc(O)c(O)cc13,CC1(C)c2cc(O)c(O)cc2C(C)(C)c3cc(O)c(O)cc13,"InChI=1/C18H20O4/c1-17(2)9-5-13(19)15(21)7-11(9)18(3,4)12-8-16(22)14(20)6-10(12)17/h5-8,19-22H,1-4H3",C18H20O4,,,,,,OVYOPMBBXJXHQV-UHFFFAOYSA-N,,,,,,,,,,,
100.062.675,268-963-1,68155-49-7,Chloroisobutylmethylaluminium,chloro(isobutyl)methylaluminum,CC(C)C[Al](C)Cl,CC(C)C[Al](C)Cl,"InChI=1/C4H9.CH3.Al.ClH/c1-4(2)3;;;/h4H,1H2,2-3H3;1H3;;1H/q;;+1;/p-1/rC5H12AlCl/c1-5(2)4-6(3)7/h5H,4H2,1-3H3",C5H12AlCl,,,,,,CIKVOVDLYAFSMH-UHFFFAOYSA-M,,,,,,,,,,,
100.062.679,268-967-3,68155-53-3,"2-[(5-amino-2,4-dimethylphenyl)sulphonyl]ethyl hydrogen sulphate","2-[(5-amino-2,4-dimethylphenyl)sulfonyl]ethyl hydrogen sulfate",Cc1cc(C)c(cc1N)S(=O)(=O)CCOS(=O)(=O)O,Cc1cc(C)c(cc1N)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1/C10H15NO6S2/c1-7-5-8(2)10(6-9(7)11)18(12,13)4-3-17-19(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)",C10H15NO6S2,,,,,,QYHZDQDUNZFEGY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.695,268-985-1,68155-73-7,o-[bis[4-[ethyl[(3-sulphophenyl)methyl]amino]phenyl]methyl]benzenesulphonic acid,2-(bis{4-[ethyl(3-sulfobenzyl)amino]phenyl}methyl)benzenesulfonic acid,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(c3ccc(cc3)N(CC)Cc4cccc(c4)S(=O)(=O)O)c5ccccc5S(=O)(=O)O,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(c3ccc(cc3)N(CC)Cc4cccc(c4)S(=O)(=O)O)c5ccccc5S(=O)(=O)O,"InChI=1/C37H38N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24,37H,3-4,25-26H2,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)",C37H38N2O9S3,,,,,,QNOYBCOEQMOHFR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.525,275-401-9,71411-94-4,"8-(diethylamino)-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione","8-(diethylamino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione",CCN(CC)c1nc2N(C)C(=O)N(C)C(=O)c2n1C,CCN(CC)c1nc2N(C)C(=O)N(C)C(=O)c2n1C,"InChI=1/C12H19N5O2/c1-6-17(7-2)11-13-9-8(14(11)3)10(18)16(5)12(19)15(9)4/h6-7H2,1-5H3",C12H19N5O2,,,,,,QIDUEETVXGUHHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.532,275-409-2,71412-01-6,4-amino(phenylazo)naphthalene-1-sulphonic acid,4-amino-2-(phenyldiazenyl)naphthalene-1-sulfonic acid,OS(=O)(=O)c2c3ccccc3c(N)cc2N=Nc1ccccc1,OS(=O)(=O)c2c3ccccc3c(N)cc2N=Nc1ccccc1,"InChI=1/C16H13N3O3S/c17-14-10-15(19-18-11-6-2-1-3-7-11)16(23(20,21)22)13-9-5-4-8-12(13)14/h1-10H,17H2,(H,20,21,22)",C16H13N3O3S,,,,,,VMDPQVVCRAVBDL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.787,270-187-3,68412-40-8,"Pyridine, chloro derivs.",4-chloropyridine,Clc1ccncc1,Clc1ccncc1,InChI=1/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H,-,,,,,,PVMNPAUTCMBOMO-UHFFFAOYSA-N,,,,,,,,,,,
100.066.649,273-336-0,68957-39-1,"Trisodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5,9-disulphonate","trisodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-{3-sulfonato-4-[(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl}-2H-naphtho[1,2-d][1,2,3]triazole-5,9-disulfonate",[Na+].[Na+].[Na+].O=C6NC(=O)NC(=O)C6N=Nc1ccc(cc1S([O-])(=O)=O)n4nc5c3c(cc(Nc2nc(F)nc(F)c2Cl)cc3S([O-])(=O)=O)c(cc5n4)S([O-])(=O)=O,[Na+].[Na+].[Na+].O=C6NC(=O)NC(=O)C6N=Nc1ccc(cc1S([O-])(=O)=O)n4nc5c3c(cc(Nc2nc(F)nc(F)c2Cl)cc3S([O-])(=O)=O)c(cc5n4)S([O-])(=O)=O,"InChI=1/C24H13ClF2N10O12S3.3Na/c25-16-19(26)29-23(27)30-20(16)28-7-3-9-12(50(41,42)43)6-11-17(15(9)14(4-7)52(47,48)49)36-37(35-11)8-1-2-10(13(5-8)51(44,45)46)33-34-18-21(38)31-24(40)32-22(18)39;;;/h1-6,18H,(H,28,29,30)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,31,32,38,39,40);;;/q;3*+1/p-3",C24H13ClF2N10O12S3.3Na,,,,,,APTYIBHTLARFEV-UHFFFAOYSA-K,,,,,,,,,,,
100.066.655,273-342-3,68957-50-6,5-bromo-6-methyl-3-nitropyridin-2-amine,5-bromo-6-methyl-3-nitropyridin-2-amine,Cc1nc(N)c(cc1Br)[N+](=O)[O-],Cc1nc(N)c(cc1Br)[N+](=O)[O-],"InChI=1/C6H6BrN3O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3,(H2,8,9)",C6H6BrN3O2,,,,,,CRELZBHEKSIUDR-UHFFFAOYSA-N,,,,,,,,,,,
100.066.662,273-350-7,68957-58-4,Trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium iodide,"N,N,N-trimethyl-3-{[(tridecafluorohexyl)sulfonyl]amino}propan-1-aminium iodide",[I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H16F13N2O2S.HI/c1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;/h26H,4-6H2,1-3H3;1H/q+1;/p-1",C12H16F13N2O2S.I,,,,,,ISWKWKSVIRGKHB-UHFFFAOYSA-M,,,,,,,,,,,
100.067.126,273-859-4,69087-42-9,"[4-[bis[4-(3-carboxypropoxy)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium","N-(4-{bis[4-(3-carboxypropoxy)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium",C[N+](=C1C=CC(=C(c2ccc(OCCCC(=O)O)cc2)c3ccc(OCCCC(=O)O)cc3)C=C1)C,C[N+](=C1C=CC(=C(c2ccc(OCCCC(=O)O)cc2)c3ccc(OCCCC(=O)O)cc3)C=C1)C,"InChI=1/C29H31NO6/c1-30(2)24-13-7-21(8-14-24)29(22-9-15-25(16-10-22)35-19-3-5-27(31)32)23-11-17-26(18-12-23)36-20-4-6-28(33)34/h7-18H,3-6,19-20H2,1-2H3,(H-,31,32,33,34)/p+1",C29H32NO6,,,,,,UWRKUTLWCWITFN-UHFFFAOYSA-O,,,,,,,,,,,
100.067.127,273-861-5,69089-42-5,"N,N,N,N',N'-pentamethyl-N'-[3-[(tetramethylnonyl)oxy]propyl]-N,N'-trimethylenediammonium dichloride","N,N,N,N',N'-pentamethyl-N'-{3-[(1,1,2,2-tetramethylnonyl)oxy]propyl}propane-1,3-diaminium dichloride",[Cl-].[Cl-].CCCCCCCC(C)(C)C(C)(C)OCCC[N+](C)(C)CCC[N+](C)(C)C,[Cl-].[Cl-].CCCCCCCC(C)(C)C(C)(C)OCCC[N+](C)(C)CCC[N+](C)(C)C,"InChI=1/C24H54N2O.2ClH/c1-11-12-13-14-15-18-23(2,3)24(4,5)27-22-17-21-26(9,10)20-16-19-25(6,7)8;;/h11-22H2,1-10H3;2*1H/q+2;;/p-2",C24H54N2O.2Cl,,,,,,NJSRSUHUORSOMG-UHFFFAOYSA-L,,,,,,,,,,,
100.067.129,273-863-6,69095-55-2,"2-chloro-N-[[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]amino]carbonyl]benzamide","2-chloro-N-{[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl}benzamide",FC(F)(Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)C(Cl)Cl,FC(F)(Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)C(Cl)Cl,"InChI=1/C16H11Cl3F2N2O3/c17-12-4-2-1-3-11(12)13(24)23-15(25)22-9-5-7-10(8-6-9)26-16(20,21)14(18)19/h1-8,14H,(H2,22,23,24,25)",C16H11Cl3F2N2O3,,,,,,HVRZGDODADLEAH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.136,273-870-4,69103-20-4,"2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane","2,2-dimethyl-3-(3-methylpenta-2,4-dien-1-yl)oxirane",CC1(C)OC1CC=C(C)C=C,CC1(C)OC1CC=C(C)C=C,"InChI=1/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3",C10H16O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11682,https://echa.europa.eu/substance-information/-/substanceinfo/100.067.136,LIMXJCIGROLRED-UHFFFAOYSA-N,,,,,,,,,,,
100.067.141,273-876-7,69118-25-8,Cinepaxadil,"1-[8-(2-hydroxy-3-{4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazin-1-yl}propoxy)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone",COc1cc(cc(OC)c1OC)C=CC(=O)N2CCN(CC2)CC(O)COc3ccc(c4OCCOc34)C(C)=O,COc1cc(cc(OC)c1OC)C=CC(=O)N2CCN(CC2)CC(O)COc3ccc(c4OCCOc34)C(C)=O,"InChI=1/C29H36N2O9/c1-19(32)22-6-7-23(29-27(22)38-13-14-39-29)40-18-21(33)17-30-9-11-31(12-10-30)26(34)8-5-20-15-24(35-2)28(37-4)25(16-20)36-3/h5-8,15-16,21,33H,9-14,17-18H2,1-4H3",C29H36N2O9,,,,,,SYFDPNLESAYNCB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.536,275-413-4,71412-06-1,"Benzoic acid, compound with heptylamine (1:1)",heptan-1-amine benzoate,CCCCCCCN.OC(=O)c1ccccc1,CCCCCCCN.OC(=O)c1ccccc1,"InChI=1/C7H17N.C7H6O2/c1-2-3-4-5-6-7-8;8-7(9)6-4-2-1-3-5-6/h2-8H2,1H3;1-5H,(H,8,9)",C7H17N.C7H6O2,,,,,,LJLPEKMOPLECRH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.187,268-426-1,68084-14-0,Trisodium [[4-[[4-[(4-amino-7-sulphonato-1-naphthyl)azo]-7-sulphonato-1-naphthyl]azo]phenyl]amino]oxoacetate,trisodium {[4-({4-[(4-amino-7-sulfonato-1-naphthyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)phenyl]amino}(oxo)acetate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc5c(cc1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(=O)C([O-])=O)c3cc(ccc34)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc5c(cc1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(=O)C([O-])=O)c3cc(ccc34)S([O-])(=O)=O,"InChI=1/C28H20N6O9S2.3Na/c29-23-9-10-25(21-13-17(44(38,39)40)5-7-19(21)23)34-33-24-11-12-26(22-14-18(45(41,42)43)6-8-20(22)24)32-31-16-3-1-15(2-4-16)30-27(35)28(36)37;;;/h1-14H,29H2,(H,30,35)(H,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C28H20N6O9S2.3Na,,,,,,GGDIRZQYYPQPJE-UHFFFAOYSA-K,,,,,,,,,,,
100.062.195,268-435-0,68084-26-4,ß-oxo-a-[3-(trifluoromethyl)phenyl]benzenebutyronitrile,3-oxo-4-phenyl-2-[3-(trifluoromethyl)phenyl]butanenitrile,FC(F)(F)c1cccc(c1)C(C#N)C(=O)Cc2ccccc2,FC(F)(F)c1cccc(c1)C(C#N)C(=O)Cc2ccccc2,"InChI=1/C17H12F3NO/c18-17(19,20)14-8-4-7-13(10-14)15(11-21)16(22)9-12-5-2-1-3-6-12/h1-8,10,15H,9H2",C17H12F3NO,,,,,,RANMIORLMCIAPH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.201,268-441-3,68084-51-5,Ethyl-5-isopropyl-o-cresol,3-ethyl-5-isopropyl-2-methylphenol,CCc1cc(cc(O)c1C)C(C)C,CCc1cc(cc(O)c1C)C(C)C,"InChI=1/C12H18O/c1-5-10-6-11(8(2)3)7-12(13)9(10)4/h6-8,13H,5H2,1-4H3",C12H18O,,,,,,QTWMLLOLEYPWJU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.045,274-872-8,70776-59-9,"1-(2-carboxylatoethyl)-2-heptyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium",3-[2-heptyl-3-(2-hydroxyethyl)imidazolidin-1-ium-1-yl]propanoate,CCCCCCCC1N(CCO)CC[NH+]1CCC(=O)[O-],CCCCCCCC1N(CCO)CC[NH+]1CCC(=O)[O-],"InChI=1/C15H30N2O3/c1-2-3-4-5-6-7-14-16(9-8-15(19)20)10-11-17(14)12-13-18/h14,18H,2-13H2,1H3,(H,19,20)",C15H28N2O3,,,,,,XCEZAGKRPPXZLL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.047,274-874-9,70776-67-9,(3-decyloxy-2-hydroxypropyl)bis(2-hydroxyethyl)methylammonium methyl sulphate,"6-(decyloxy)-1,5-dihydroxy-3-(2-hydroxyethyl)hexan-3-aminium methyl sulfate",CCCCCCCCCCOCC(O)CC([NH3+])(CCO)CCO.COS(=O)(=O)[O-],CCCCCCCCCCOCC(O)CC([NH3+])(CCO)CCO.COS(=O)(=O)[O-],"InChI=1/C18H39NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-14-23-16-17(22)15-18(19,10-12-20)11-13-21;1-5-6(2,3)4/h17,20-22H,2-16,19H2,1H3;1H3,(H,2,3,4)",C18H40NO4.CH3O4S,,,,,,WOLZNPWLXLPDSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.048,274-875-4,70776-69-1,Bis(2-hydroxyethyl)[2-hydroxy-3-(octyloxy)propyl]methylammonium methyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-3-(octyloxy)propan-1-aminium methyl sulfate",CCCCCCCCOCC(O)C[N+](C)(CCO)CCO.COS(=O)(=O)[O-],CCCCCCCCOCC(O)C[N+](C)(CCO)CCO.COS(=O)(=O)[O-],"InChI=1/C16H36NO4.CH4O4S/c1-3-4-5-6-7-8-13-21-15-16(20)14-17(2,9-11-18)10-12-19;1-5-6(2,3)4/h16,18-20H,3-15H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C16H36NO4.CH3O4S,,,,,,CJULUAHYEXWWCU-UHFFFAOYSA-M,,,,,,,,,,,
100.068.063,274-892-7,70788-30-6,"2,2,6-trimethyl-a-propylcyclohexanepropanol","1-(2,2,6-trimethylcyclohexyl)hexan-3-ol",CCCC(O)CCC1C(C)CCCC1(C)C,CCCC(O)CCC1C(C)CCCC1(C)C,"InChI=1/C15H30O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h12-14,16H,5-11H2,1-4H3",C15H30O,,,,,,BVDMQAQCEBGIJR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.067,274-896-9,70793-19-0,"Di[1,3,5-triazine-2,4,6-triamine] sulphate","1,3,5-triazine-2,4,6-triamine sulfate (2:1)",Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OS(=O)(=O)O,Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OS(=O)(=O)O,"InChI=1/2C3H6N6.H2O4S/c2*4-1-7-2(5)9-3(6)8-1;1-5(2,3)4/h2*(H6,4,5,6,7,8,9);(H2,1,2,3,4)",C3H6N6.1/2H2O4S,,,,,,LKTMZZYFCYWCBL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.074,274-905-6,70813-65-9,Ethyl 10-chlorodecanoate,ethyl 10-chlorodecanoate,CCOC(=O)CCCCCCCCCCl,CCOC(=O)CCCCCCCCCCl,"InChI=1/C12H23ClO2/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h2-11H2,1H3",C12H23ClO2,,,,,,GTKQAXQUIOBEBP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.922,275-838-5,71685-41-1,"Ethyl 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate","ethyl 6-({6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoate",CCOC(=O)c1c(OC)c(OC)ccc1C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC,CCOC(=O)c1c(OC)c(OC)ccc1C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC,"InChI=1/C25H31NO8/c1-7-32-25(28)21-16(8-9-19(29-4)23(21)31-6)18(27)13-17-15(10-11-26(2)3)12-20-24(22(17)30-5)34-14-33-20/h8-9,12H,7,10-11,13-14H2,1-6H3",C25H31NO8,,,,,,MKJDRNNCXMLCPO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.924,275-840-6,71685-98-8,"2-aminopropyl (9Z,12Z)-octadeca-9,12-dienoate","2-aminopropyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(C)N,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(C)N,"InChI=1/C21H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h7-8,10-11,20H,3-6,9,12-19,22H2,1-2H3",C21H39NO2,,,,,,TZKLETZQFBNKFN-NQLNTKRDSA-N,,,,,,,,,,,
100.068.925,275-841-1,71685-99-9,Isopropyl (R)-12-hydroxyoleate,isopropyl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OC(C)C,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC(C)C,"InChI=1/C21H40O3/c1-4-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19(2)3/h11,14,19-20,22H,4-10,12-13,15-18H2,1-3H3",C21H40O3,,,,,,SDYPTODXHIAHDF-ACQXMXPUSA-N,,,,,,,,,,,
100.068.931,275-847-4,71686-05-0,"Dinitrophenol, compound with 4,5-dihydro-2-methyl-1H-imidazole (1:1)","2,3-dinitrophenol - 2-methyl-4,5-dihydro-1H-imidazole (1:1)",CC1=NCCN1.Oc2cccc(c2[N+](=O)[O-])[N+](=O)[O-],CC1=NCCN1.Oc2cccc(c2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5.C4H8N2/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;1-4-5-2-3-6-4/h1-3,9H;2-3H2,1H3,(H,5,6)",C6H4N2O5.C4H8N2,,,,,,WSDALBIAWSCTQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.935,275-852-1,71700-96-4,Sodium 5-allylbarbiturate,"sodium 5-allyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].[O-]C1=NC(=O)C(CC=C)C(=O)N1,[Na+].[O-]C1=NC(=O)C(CC=C)C(=O)N1,"InChI=1/C7H8N2O3.Na/c1-2-3-4-5(10)8-7(12)9-6(4)11;/h2,4H,1,3H2,(H2,8,9,10,11,12);/q;+1/p-1",C7H8N2O3.Na,,,,,,NHAOGFAICKOCFT-UHFFFAOYSA-M,,,,,,,,,,,
100.089.941,298-983-6,93841-13-5,Piperazine-1-propanesulphonic acid,3-piperazin-1-ylpropane-1-sulfonic acid,OS(=O)(=O)CCCN1CCNCC1,OS(=O)(=O)CCCN1CCNCC1,"InChI=1/C7H16N2O3S/c10-13(11,12)7-1-4-9-5-2-8-3-6-9/h8H,1-7H2,(H,10,11,12)",C7H16N2O3S,,,,,,QGZSANLMUAESBT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.942,298-984-1,93841-14-6,Potassium 3-[(ethoxythioxomethyl)thio]propanesulphonate,potassium 3-[(ethoxycarbonothioyl)sulfanyl]propane-1-sulfonate,[K+].CCOC(=S)SCCCS(=O)(=O)[O-],[K+].CCOC(=S)SCCCS(=O)(=O)[O-],"InChI=1/C6H12O4S3.K/c1-2-10-6(11)12-4-3-5-13(7,8)9;/h2-5H2,1H3,(H,7,8,9);/q;+1/p-1",C6H12O4S3.K,,,,,,GHKVPQBQJJRDRT-UHFFFAOYSA-M,,,,,,,,,,,
100.089.946,298-988-3,93841-18-0,1-(2-isocyanatoethyl)naphthalene,1-(2-isocyanatoethyl)naphthalene,O=C=NCCc1cccc2ccccc12,O=C=NCCc1cccc2ccccc12,"InChI=1/C13H11NO/c15-10-14-9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-9H2",C13H11NO,,,,,,PUZZJOQLEUZSGS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.947,298-989-9,93841-19-1,"2,4-dimethyl-1-(trifluoromethyl)benzene","2,4-dimethyl-1-(trifluoromethyl)benzene",Cc1ccc(c(C)c1)C(F)(F)F,Cc1ccc(c(C)c1)C(F)(F)F,"InChI=1/C9H9F3/c1-6-3-4-8(7(2)5-6)9(10,11)12/h3-5H,1-2H3",C9H9F3,,,,,,MMNSBYZZXGPGEK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.561,286-447-4,85237-85-0,"1-acetamido-2,4-dioxopentyl acetate","1-acetamido-2,4-dioxopentyl acetate",CC(=O)CC(=O)C(NC(=O)C)OC(=O)C,CC(=O)CC(=O)C(NC(=O)C)OC(=O)C,"InChI=1/C9H13NO5/c1-5(11)4-8(14)9(10-6(2)12)15-7(3)13/h9H,4H2,1-3H3,(H,10,12)",C8H11NO4,,,,,,CQCUYOGWLHGGOR-UHFFFAOYSA-N,,,,,,,,,,,
100.078.562,286-449-5,85237-86-1,N-methyl-3-(methylamino)-2-butenamide,N-methyl-3-(methylamino)but-2-enamide,CC(NC)=CC(=O)NC,CC(NC)=CC(=O)NC,"InChI=1/C6H12N2O/c1-5(7-2)4-6(9)8-3/h4,7H,1-3H3,(H,8,9)",C6H12N2O,,,,,,QDEUCPLXUDTYOV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.573,286-461-0,85248-87-9,"(S)-1-benzoyl-N,N-dibutyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-dibutyl-5-oxo-L-prolinamide",CCCCN(CCCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,CCCCN(CCCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C20H28N2O3/c1-3-5-14-21(15-6-4-2)20(25)17-12-13-18(23)22(17)19(24)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3",C20H28N2O3,,,,,,ZASBADBZECAFKT-KRWDZBQOSA-N,,,,,,,,,,,
100.078.577,286-465-2,85251-54-3,Pentachromium dihydroxide pentasulphate,pentachromium dihydroxide pentasulphate,[OH-].[OH-].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[OH-].[OH-].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/5Cr.5H2O4S.2H2O/c;;;;;5*1-5(2,3)4;;/h;;;;;5*(H2,1,2,3,4);2*1H2/q5*+2;;;;;;;/p-12",Cr4H2O22S5,,,,,,XGVGSVLZXKZUSE-UHFFFAOYSA-B,,,,,,,,,,,
100.078.579,286-467-3,85251-56-5,"1-Propanol, 2,3-dibromo-, phosphate, ammonium salt",-,[NH4+].[O-]P(=O)([O-])OCC(Br)CBr,[NH4+].[O-]P(=O)([O-])OCC(Br)CBr,"InChI=1/C3H7Br2O4P.H3N/c4-1-3(5)2-9-10(6,7)8;/h3H,1-2H2,(H2,6,7,8);1H3/p-1",-,,,,,,BVEVDANUIBFJHH-UHFFFAOYSA-M,,,,,,,,,,,
100.089.953,298-996-7,93841-26-0,Bis[(5-amino-2-methoxyphenyl)bis(2-hydroxyethyl)ammonium] sulphate,"bis[5-amino-N,N-bis(2-hydroxyethyl)-2-methoxyanilinium] sulfate",COc1ccc(N)cc1[NH+](CCO)CCO.COc2ccc(N)cc2[NH+](CCO)CCO.[O-]S(=O)(=O)[O-],COc1ccc(N)cc1[NH+](CCO)CCO.COc2ccc(N)cc2[NH+](CCO)CCO.[O-]S(=O)(=O)[O-],"InChI=1/2C11H18N2O3.H2O4S/c2*1-16-11-3-2-9(12)8-10(11)13(4-6-14)5-7-15;1-5(2,3)4/h2*2-3,8,14-15H,4-7,12H2,1H3;(H2,1,2,3,4)",C11H18N2O3.1/2H2O4S,,,,,,JJQFXEZZJHYJAW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.954,298-997-2,93841-27-1,"4-[2-(2-methoxyethoxy)ethoxy]benzene-1,3-diamine","4-[2-(2-methoxyethoxy)ethoxy]benzene-1,3-diamine",COCCOCCOc1ccc(N)cc1N,COCCOCCOc1ccc(N)cc1N,"InChI=1/C11H18N2O3/c1-14-4-5-15-6-7-16-11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,12-13H2,1H3",C11H18N2O3,,,,,,GMPUUJWLECIAGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.962,299-006-6,93841-37-3,"7-cyclopentyl-3,4-dihydro-4-isopropyl-2,2-dimethyl-2H-1-benzopyran-4-ol","7-cyclopentyl-4-isopropyl-2,2-dimethylchroman-4-ol",CC(C)C1(O)CC(C)(C)Oc2cc(ccc12)C3CCCC3,CC(C)C1(O)CC(C)(C)Oc2cc(ccc12)C3CCCC3,"InChI=1/C19H28O2/c1-13(2)19(20)12-18(3,4)21-17-11-15(9-10-16(17)19)14-7-5-6-8-14/h9-11,13-14,20H,5-8,12H2,1-4H3",C19H28O2,,,,,,YGQOICKVIRXMKU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.966,299-010-8,93841-41-9,2-[(tributylstannyl)oxy]-N-[2-[(tributylstannyl)oxy]ethyl]ethylamine,2-[(tributylstannyl)oxy]-N-{2-[(tributylstannyl)oxy]ethyl}ethanamine,CCCC[Sn](CCCC)(CCCC)OCCNCCO[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)OCCNCCO[Sn](CCCC)(CCCC)CCCC,"InChI=1/C4H9NO2.6C4H9.2Sn/c6-3-1-5-2-4-7;6*1-3-4-2;;/h5H,1-4H2;6*1,3-4H2,2H3;;/q-2;;;;;;;2*+1/rC28H63NO2Sn2/c1-7-13-23-32(24-14-8-2,25-15-9-3)30-21-19-29-20-22-31-33(26-16-10-4,27-17-11-5)28-18-12-6/h29H,7-28H2,1-6H3",C28H63NO2Sn2,,,,,,YPJRVYXUOGFXST-UHFFFAOYSA-N,,,,,,,,,,,
100.089.967,299-011-3,93841-42-0,"N,N'-[(dibutylstannylene)bis(oxy)]bis[N-nitrosocyclohexylamine]","N,N'-[(dibutylstannanediyl)bis(oxy)]bis(N-nitrosocyclohexanamine)",CCCC[Sn](CCCC)(ON(N=O)C1CCCCC1)ON(N=O)C2CCCCC2,CCCC[Sn](CCCC)(ON(N=O)C1CCCCC1)ON(N=O)C2CCCCC2,"InChI=1/2C6H11N2O2.2C4H9.Sn/c2*9-7-8(10)6-4-2-1-3-5-6;2*1-3-4-2;/h2*6H,1-5H2;2*1,3-4H2,2H3;/q2*-1;;;+2/rC20H40N4O4Sn/c1-3-5-17-29(18-6-4-2,27-23(21-25)19-13-9-7-10-14-19)28-24(22-26)20-15-11-8-12-16-20/h19-20H,3-18H2,1-2H3",C20H40N4O4Sn,,,,,,OTCGVIBGKLIRHW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.697,268-987-2,68155-75-9,3-methyl-4-pyrrolidin-1-ylaniline monohydrochloride,3-methyl-4-pyrrolidin-1-ylaniline hydrochloride,Cl.Cc1cc(N)ccc1N2CCCC2,Cl.Cc1cc(N)ccc1N2CCCC2,"InChI=1/C11H16N2.ClH/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13;/h4-5,8H,2-3,6-7,12H2,1H3;1H",C11H16N2.ClH,,,,,,TYYWITYEVLLJLH-UHFFFAOYSA-N,,,,,,,,,,,
100.064.793,271-293-2,68528-00-7,"7-chloro-N,N-diethyl-6-methyl-9H-fluoren-3-amine","7-chloro-N,N-diethyl-6-methyl-9H-fluoren-3-amine",CCN(CC)c1ccc2Cc3cc(Cl)c(C)cc3c2c1,CCN(CC)c1ccc2Cc3cc(Cl)c(C)cc3c2c1,"InChI=1/C18H20ClN/c1-4-20(5-2)15-7-6-13-9-14-10-18(19)12(3)8-16(14)17(13)11-15/h6-8,10-11H,4-5,9H2,1-3H3",C18H20ClN,,,,,,HJJJOCOYMMBYNN-UHFFFAOYSA-N,,,,,,,,,,,
100.064.796,271-296-9,68535-69-3,Bis(2-methoxybenzylaminohex-6-ylaminoethyl)disulphane,"N-(2-methoxybenzyl)-N'-(2-{[2-({6-[(2-methoxybenzyl)amino]hexyl}amino)ethyl]disulfanyl}ethyl)hexane-1,6-diamine (non-preferred name)",COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC,COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC,"InChI=1/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3",C32H54N4O2S2.4ClH,,,,,,IIWOUNLDWKZMQI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.801,271-303-5,68540-42-1,"4-[(2,3-dichlorophenyl)azo]-3-hydroxy-N-[5-[[[3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]-2-naphthyl]carbonyl]amino]-1-naphthyl]naphthalene-2-carboxamide","4-[(2,3-dichlorophenyl)diazenyl]-3-hydroxy-N-[5-({3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]-2-naphthoyl}amino)-1-naphthyl]-2-naphthamide",Clc8c(N=Nc6c7ccccc7cc(C(=O)Nc5cccc4c5cccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2OC)[N+]([O-])=O)c3O)c6O)cccc8Cl,Clc8c(N=Nc6c7ccccc7cc(C(=O)Nc5cccc4c5cccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(cc2OC)[N+]([O-])=O)c3O)c6O)cccc8Cl,"InChI=1/C45H29Cl2N7O7/c1-61-38-23-26(54(59)60)19-20-36(38)50-52-40-27-11-4-2-9-24(27)21-31(42(40)55)44(57)48-34-16-6-14-30-29(34)13-7-17-35(30)49-45(58)32-22-25-10-3-5-12-28(25)41(43(32)56)53-51-37-18-8-15-33(46)39(37)47/h2-23,55-56H,1H3,(H,48,57)(H,49,58)",C45H29Cl2N7O7,,,,,,FJOVXJODQXFEAB-UHFFFAOYSA-N,,,,,,,,,,,
100.064.810,271-312-4,68540-78-3,"4-chlorotoluene-2-diazonium chloride, compound with zinc chloride","4-chlorotoluene-2-diazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].Cc1ccc(Cl)cc1[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].Cc1ccc(Cl)cc1[N+]#N,"InChI=1/C7H6ClN2.3ClH.Zn/c1-5-2-3-6(8)4-7(5)10-9;;;;/h2-4H,1H3;3*1H;/q+1;;;;+2/p-3",C7H6ClN2.xCl2Zn.xCl,,,,,,GBMRBOUKTHHHGS-UHFFFAOYSA-K,,,,,,,,,,,
100.064.813,271-316-6,68540-81-8,"4-methoxy-2-nitrobenzenediazonium chloride, compound with zinc chloride","4-methoxy-2-nitrobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].COc1ccc([N+]#N)c(c1)[N+](=O)[O-],[Cl-].[Cl-].[Cl-].[Zn+2].COc1ccc([N+]#N)c(c1)[N+](=O)[O-],"InChI=1/C7H6N3O3.3ClH.Zn/c1-13-5-2-3-6(9-8)7(4-5)10(11)12;;;;/h2-4H,1H3;3*1H;/q+1;;;;+2/p-3",C7H6N3O3.xCl2Zn.xCl,,,,,,HZOHNMYKZNRABV-UHFFFAOYSA-K,,,,,,,,,,,
100.064.815,271-318-7,68540-83-0,"4-chloro-2-nitrobenzenediazonium chloride, compound with zinc chloride","4-chloro-2-nitrobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].[O-][N+](=O)c1cc(Cl)ccc1[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].[O-][N+](=O)c1cc(Cl)ccc1[N+]#N,InChI=1/C6H3ClN3O2.3ClH.Zn/c7-4-1-2-5(9-8)6(3-4)10(11)12;;;;/h1-3H;3*1H;/q+1;;;;+2/p-3,C6H3ClN3O2.xCl2Zn.xCl,,,,,,SOTSWTVQONLIRE-UHFFFAOYSA-K,,,,,,,,,,,
100.064.826,271-330-2,68540-97-6,Disodium 8-[(4-acetamidophenyl)azo]-5-[(4-amino-7-sulphonatonaphthyl)azo]naphthalene-2-sulphonate,disodium 8-[(4-acetamidophenyl)diazenyl]-5-[(4-amino-7-sulfonato-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cc5c(cc1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(C)=O)c3cc(ccc34)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc5c(cc1)c(N)ccc5N=Nc4ccc(N=Nc2ccc(cc2)NC(C)=O)c3cc(ccc34)S([O-])(=O)=O,"InChI=1/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-28-13-12-26(22-9-7-20(15-24(22)28)43(39,40)41)33-34-27-11-10-25(29)21-8-6-19(14-23(21)27)42(36,37)38;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C28H22N6O7S2.2Na,,,,,,INVVMWRABJZLHD-UHFFFAOYSA-L,,,,,,,,,,,
100.086.547,295-243-4,91933-31-2,"3,3',3''-nitrilotris(propionohydrazide)","3,3',3''-nitrilotripropanehydrazide (non-preferred name)",NNC(=O)CCN(CCC(=O)NN)CCC(=O)NN,NNC(=O)CCN(CCC(=O)NN)CCC(=O)NN,"InChI=1/C9H21N7O3/c10-13-7(17)1-4-16(5-2-8(18)14-11)6-3-9(19)15-12/h1-6,10-12H2,(H,13,17)(H,14,18)(H,15,19)",C9H21N7O3,,,,,,PMPWHLYNGLTUHI-UHFFFAOYSA-N,,,,,,,,,,,
100.086.548,295-245-5,91933-32-3,"N,N,N',N'-tetrakis(3-hydrazino-3-oxopropyl)ethylenediamine","3,3',3'',3'''-(ethane-1,2-diyldinitrilo)tetrapropanehydrazide (non-preferred name)",NNC(=O)CCN(CCN(CCC(=O)NN)CCC(=O)NN)CCC(=O)NN,NNC(=O)CCN(CCN(CCC(=O)NN)CCC(=O)NN)CCC(=O)NN,"InChI=1/C14H32N10O4/c15-19-11(25)1-5-23(6-2-12(26)20-16)9-10-24(7-3-13(27)21-17)8-4-14(28)22-18/h1-10,15-18H2,(H,19,25)(H,20,26)(H,21,27)(H,22,28)",C14H32N10O4,,,,,,PRSYGUNNFMZZES-UHFFFAOYSA-N,,,,,,,,,,,
100.086.550,295-247-6,91969-55-0,"1,1-dimethylindan-4-ol","1,1-dimethylindan-4-ol",CC1(C)CCc2c(O)cccc12,CC1(C)CCc2c(O)cccc12,"InChI=1/C11H14O/c1-11(2)7-6-8-9(11)4-3-5-10(8)12/h3-5,12H,6-7H2,1-2H3",C11H14O,,,,,,FCCRASGUAOTJHA-UHFFFAOYSA-N,,,,,,,,,,,
100.086.551,295-248-1,91969-56-1,"4,6-dimethylindan-5-ol","4,6-dimethylindan-5-ol",Cc1cc2CCCc2c(C)c1O,Cc1cc2CCCc2c(C)c1O,"InChI=1/C11H14O/c1-7-6-9-4-3-5-10(9)8(2)11(7)12/h6,12H,3-5H2,1-2H3",C11H14O,,,,,,XWKMVRQWLRRRBO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.538,275-416-0,71412-08-3,(4-aminophenyl)pyrrolidinone,1-(4-aminophenyl)pyrrolidin-2-one,Nc1ccc(cc1)N2CCCC2=O,Nc1ccc(cc1)N2CCCC2=O,"InChI=1/C10H12N2O/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7,11H2",C10H12N2O,,,,,,IOMOVAPYJQVJDK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.544,275-422-3,71412-17-4,Bis(4-methoxyphenyl)(4-nitrophenyl)phenylphosphonium bromide,bis(4-methoxyphenyl)(4-nitrophenyl)phenylphosphonium bromide,[Br-].COc1ccc(cc1)[P+](c2ccccc2)(c3ccc(OC)cc3)c4ccc(cc4)[N+](=O)[O-],[Br-].COc1ccc(cc1)[P+](c2ccccc2)(c3ccc(OC)cc3)c4ccc(cc4)[N+](=O)[O-],"InChI=1/C26H23NO4P.BrH/c1-30-21-10-16-25(17-11-21)32(23-6-4-3-5-7-23,26-18-12-22(31-2)13-19-26)24-14-8-20(9-15-24)27(28)29;/h3-19H,1-2H3;1H/q+1;/p-1",C26H23NO4P.Br,,,,,,LKCOJLWPZUUBET-UHFFFAOYSA-M,,,,,,,,,,,
100.068.545,275-423-9,71412-18-5,"3,3'-thiobis[tetrahydrothiophene] 1,1,1',1'-tetraoxide","3,3'-sulfanediylbis(tetrahydrothiophene) 1,1,1',1'-tetraoxide",O=S1(=O)CCC(C1)SC2CCS(=O)(=O)C2,O=S1(=O)CCC(C1)SC2CCS(=O)(=O)C2,"InChI=1/C8H14O4S3/c9-14(10)3-1-7(5-14)13-8-2-4-15(11,12)6-8/h7-8H,1-6H2",C8H14O4S3,,,,,,VRWOOWOJPSQXHK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.550,275-429-1,71412-23-2,3-(aminomethyl)pyrocatechol,"3-(aminomethyl)benzene-1,2-diol",NCc1cccc(O)c1O,NCc1cccc(O)c1O,"InChI=1/C7H9NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H,4,8H2",C7H9NO2,,,,,,OALRPMSYTYFUEP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.561,275-441-7,71432-53-6,[2-(1-methylethyl)phenoxy]acetonitrile,(2-isopropylphenoxy)acetonitrile,CC(C)c1ccccc1OCC#N,CC(C)c1ccccc1OCC#N,"InChI=1/C11H13NO/c1-9(2)10-5-3-4-6-11(10)13-8-7-12/h3-6,9H,8H2,1-2H3",C11H13NO,,,,,,ZUKFBJLBJNYALQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.562,275-442-2,71436-83-4,4'-butoxy-2-piperidinopropiophenone,1-(4-butoxyphenyl)-2-piperidin-1-ylpropan-1-one,CCCCOc1ccc(cc1)C(=O)C(C)N2CCCCC2,CCCCOc1ccc(cc1)C(=O)C(C)N2CCCCC2,"InChI=1/C18H27NO2/c1-3-4-14-21-17-10-8-16(9-11-17)18(20)15(2)19-12-6-5-7-13-19/h8-11,15H,3-7,12-14H2,1-2H3",C18H27NO2,,,,,,GTVLVUISDRKFTD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.564,275-444-3,71436-85-6,Butyl 2-hydroxy-2-methylbutyrate,butyl 2-hydroxy-2-methylbutanoate,CCCCOC(=O)C(C)(O)CC,CCCCOC(=O)C(C)(O)CC,"InChI=1/C9H18O3/c1-4-6-7-12-8(10)9(3,11)5-2/h11H,4-7H2,1-3H3",C9H18O3,,,,,,KQNGQDFVTYRMDN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.578,275-460-0,71437-00-8,Calcium tetrachloromagnesate(2-),calcium tetrachloromagnesate(2-),[Ca+2].Cl[Mg-2](Cl)(Cl)Cl,[Ca+2].Cl[Mg-2](Cl)(Cl)Cl,"InChI=1/Ca.4ClH.Mg/h;4*1H;/q+2;;;;;+2/p-4/rCa.Cl4Mg/c;1-5(2,3)4/q+2;-2",Ca.Cl4Mg,,,,,,DTYCRHCCLVCUDT-UHFFFAOYSA-J,,,,,,,,,,,
100.063.817,270-220-1,68413-48-9,Dibutyl [[bis[(2-ethylhexyl)oxy]phosphinothioyl]thio]succinate,dibutyl 2-({bis[(2-ethylhexyl)oxy]phosphorothioyl}sulfanyl)succinate,CCCCOC(=O)CC(SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)C(=O)OCCCC,CCCCOC(=O)CC(SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)C(=O)OCCCC,"InChI=1/C28H55O6PS2/c1-7-13-17-24(11-5)22-33-35(36,34-23-25(12-6)18-14-8-2)37-26(28(30)32-20-16-10-4)21-27(29)31-19-15-9-3/h24-26H,7-23H2,1-6H3",C28H55O6PS2,,,,,,DHEMFBSSQAFTOU-UHFFFAOYSA-N,,,,,,,,,,,
100.063.824,270-228-5,68413-56-9,"4-ethoxy-4'-pentyl-1,1'-biphenyl",4-ethoxy-4'-pentylbiphenyl,CCCCCc1ccc(cc1)c2ccc(OCC)cc2,CCCCCc1ccc(cc1)c2ccc(OCC)cc2,"InChI=1/C19H24O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h8-15H,3-7H2,1-2H3",C19H24O,,,,,,KOAUFWIBJVYJHF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.826,270-230-6,68413-58-1,"2,4-dimethoxybenzenediazonium trichlorozincate","2,4-dimethoxybenzenediazonium trichlorozincate(1-)",COc1ccc([N+]#N)c(OC)c1.Cl[Zn-](Cl)Cl,COc1ccc([N+]#N)c(OC)c1.Cl[Zn-](Cl)Cl,"InChI=1/C8H9N2O2.3ClH.Zn/c1-11-6-3-4-7(10-9)8(5-6)12-2;;;;/h3-5H,1-2H3;3*1H;/q+1;;;;+2/p-3/rC8H9N2O2.Cl3Zn/c1-11-6-3-4-7(10-9)8(5-6)12-2;1-4(2)3/h3-5H,1-2H3;/q+1;-1",C8H9N2O2.Cl3Zn,,,,,,GHDAKWHMAJQQJP-UHFFFAOYSA-K,,,,,,,,,,,
100.063.827,270-231-1,68413-59-2,"2,5-dimethoxybenzenediazonium trichlorozincate","2,5-dimethoxybenzenediazonium trichlorozincate(1-)",COc1ccc(OC)c(c1)[N+]#N.Cl[Zn-](Cl)Cl,COc1ccc(OC)c(c1)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C8H9N2O2.3ClH.Zn/c1-11-6-3-4-8(12-2)7(5-6)10-9;;;;/h3-5H,1-2H3;3*1H;/q+1;;;;+2/p-3/rC8H9N2O2.Cl3Zn/c1-11-6-3-4-8(12-2)7(5-6)10-9;1-4(2)3/h3-5H,1-2H3;/q+1;-1",C8H9N2O2.Cl3Zn,,,,,,RKIQAZLRSVQSSD-UHFFFAOYSA-K,,,,,,,,,,,
100.066.697,273-388-4,68959-02-4,Sodium hydrogen 9-sulphonatooctadecenoate,sodium hydrogen 9-sulfonatooctadec-2-enoate,[H+].[Na+].O=S(=O)([O-])C(CCCCCCCCC)CCCCCC=CC([O-])=O,[H+].[Na+].O=S(=O)([O-])C(CCCCCCCCC)CCCCCC=CC([O-])=O,"InChI=1/C18H34O5S.Na.H2/c1-2-3-4-5-6-8-11-14-17(24(21,22)23)15-12-9-7-10-13-16-18(19)20;;/h13,16-17H,2-12,14-15H2,1H3,(H,19,20)(H,21,22,23);;1H/q;2*+1/p-2",C18H34O5S.Na,,,,,,RYULGCZGLAKUAZ-UHFFFAOYSA-M,,,,,,,,,,,
100.067.152,273-888-2,69125-10-6,"6-chloro-1,3,5-triazine-2,4(1H,3H)-dione","6-chloro-1,3,5-triazine-2,4(1H,3H)-dione",ClC1=NC(=O)NC(=O)N1,ClC1=NC(=O)NC(=O)N1,"InChI=1/C3H2ClN3O2/c4-1-5-2(8)7-3(9)6-1/h(H2,5,6,7,8,9)",C3H2ClN3O2,,,,,,YDHNHFNGJCKAIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.939,275-856-3,71701-00-3,"Calcium bis(5,5-diethylbarbiturate)","calcium bis(5,5-diethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate)",[Ca+2].CCC1(CC)C(=O)NC(=NC1=O)[O-].CCC2(CC)C(=O)NC(=NC2=O)[O-],[Ca+2].CCC1(CC)C(=O)NC(=NC1=O)[O-].CCC2(CC)C(=O)NC(=NC2=O)[O-],"InChI=1/2C8H12N2O3.Ca/c2*1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h2*3-4H2,1-2H3,(H2,9,10,11,12,13);/q;;+2/p-2",C8H12N2O3.1/2Ca,,,,,,VASOXZYJEHVAEK-UHFFFAOYSA-L,,,,,,,,,,,
100.068.952,275-871-5,71701-26-3,N-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]benzamide,N-{4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl}benzamide,Oc3ccc(C)cc3N=Nc2ccc(NC(=O)c1ccccc1)cc2,Oc3ccc(C)cc3N=Nc2ccc(NC(=O)c1ccccc1)cc2,"InChI=1/C20H17N3O2/c1-14-7-12-19(24)18(13-14)23-22-17-10-8-16(9-11-17)21-20(25)15-5-3-2-4-6-15/h2-13,24H,1H3,(H,21,25)",C20H17N3O2,,,,,,HDKQOAPPVFUKFN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.207,268-448-1,68084-62-8,2-[methyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl acrylate,2-{methyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl acrylate,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H10F15NO4S/c1-3-6(30)33-5-4-29(2)34(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h3H,1,4-5H2,2H3",C13H10F15NO4S,,,,,,BEYGZFVOTUDDJK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.219,268-461-2,68092-48-8,"2,2-bis[[3-(hexylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(hexylthio)propionate]","3-{[3-(hexylsulfanyl)propanoyl]oxy}-2,2-bis({[3-(hexylsulfanyl)propanoyl]oxy}methyl)propyl 3-(hexylsulfanyl)propanoate (non-preferred name)",CCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCC)(COC(=O)CCSCCCCCC)COC(=O)CCSCCCCCC,CCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCC)(COC(=O)CCSCCCCCC)COC(=O)CCSCCCCCC,"InChI=1/C41H76O8S4/c1-5-9-13-17-25-50-29-21-37(42)46-33-41(34-47-38(43)22-30-51-26-18-14-10-6-2,35-48-39(44)23-31-52-27-19-15-11-7-3)36-49-40(45)24-32-53-28-20-16-12-8-4/h5-36H2,1-4H3",C41H76O8S4,,,,,,CNIAMBARISEYEW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.220,268-462-8,68092-49-9,[4-[3-(decyloxy)-2-hydroxypropoxy]-2-hydroxyphenyl] phenyl ketone,{4-[3-(decyloxy)-2-hydroxypropoxy]-2-hydroxyphenyl}(phenyl)methanone,CCCCCCCCCCOCC(O)COc1ccc(C(=O)c2ccccc2)c(O)c1,CCCCCCCCCCOCC(O)COc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C26H36O5/c1-2-3-4-5-6-7-8-12-17-30-19-22(27)20-31-23-15-16-24(25(28)18-23)26(29)21-13-10-9-11-14-21/h9-11,13-16,18,22,27-28H,2-8,12,17,19-20H2,1H3",C26H36O5,,,,,,XYUSZWLCQQSJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.221,268-463-3,68092-50-2,"1-(carboxylatomethyl)-2,4-dimethylpyridinium","(2,4-dimethylpyridinium-1-yl)acetate",Cc1cc[n+](CC(=O)[O-])c(C)c1,Cc1cc[n+](CC(=O)[O-])c(C)c1,"InChI=1/C9H11NO2/c1-7-3-4-10(6-9(11)12)8(2)5-7/h3-5H,6H2,1-2H3",C9H11NO2,,,,,,LRCFAVHRIIYRCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.231,268-474-3,68105-02-2,Dimethylditetradecylammonium bromide,"N,N-dimethyl-N-tetradecyltetradecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC,[Br-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC,"InChI=1/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1",C30H64N.Br,,,,,,IRMGVPILCPGYNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.062.233,268-476-4,68109-57-9,"2,2-bis(1-methylpropoxy)-1-phenylethan-1-one","2,2-di-sec-butoxy-1-phenylethanone",CCC(C)OC(OC(C)CC)C(=O)c1ccccc1,CCC(C)OC(OC(C)CC)C(=O)c1ccccc1,"InChI=1/C16H24O3/c1-5-12(3)18-16(19-13(4)6-2)15(17)14-10-8-7-9-11-14/h7-13,16H,5-6H2,1-4H3",C16H24O3,,,,,,OHQSQCACEXDHAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.236,268-480-6,68109-65-9,"3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl propionate","3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-1-yl propionate",CCC(=O)OC1C=CC2C3CC(C=C3)C12,CCC(=O)OC1C=CC2C3CC(C=C3)C12,"InChI=1/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h3-6,8-11,13H,2,7H2,1H3",C13H16O2,,,,,,MIXFYHGXLDJZDK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.240,268-484-8,68109-70-6,"3-methyl-2-[5-(3-methyl-3H-benzoxazol-2-ylidene)penta-1,3-dienyl]benzoxazolium p-toluenesulphonate","3-methyl-2-[5-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.C[n+]3c4ccccc4oc3C=CC=CC=C2Oc1ccccc1N2C,[O-]S(=O)(=O)c1ccc(C)cc1.C[n+]3c4ccccc4oc3C=CC=CC=C2Oc1ccccc1N2C,"InChI=1/C21H19N2O2.C7H8O3S/c1-22-16-10-6-8-12-18(16)24-20(22)14-4-3-5-15-21-23(2)17-11-7-9-13-19(17)25-21;1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C21H19N2O2.C7H7O3S,,,,,,TYKOZQCHNVLQEU-UHFFFAOYSA-M,,,,,,,,,,,
100.062.242,268-486-9,68109-73-9,"Diammonium hydrogen 2-amino-4-[(4-amino-3-sulphonatophenyl)(4-imino-3-sulphonatocyclohexa-2,5-dien-1-ylidene)methyl]toluene-3-sulphonate","diammonium hydrogen 2-amino-6-[(4-amino-3-sulfonatophenyl)(4-imino-3-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate",[H+].[NH4+].[NH4+].[O-]S(=O)(=O)c1cc(ccc1N)C(c2ccc(C)c(N)c2S([O-])(=O)=O)=C/3/C=C\\C(=N)\\C(=C\\3)S([O-])(=O)=O,[H+].[NH4+].[NH4+].[O-]S(=O)(=O)c1cc(ccc1N)C(c2ccc(C)c(N)c2S([O-])(=O)=O)=C/3/C=C\C(=N)\C(=C\3)S([O-])(=O)=O,"InChI=1/C20H19N3O9S3.2H3N.H2/c1-10-2-5-13(20(19(10)23)35(30,31)32)18(11-3-6-14(21)16(8-11)33(24,25)26)12-4-7-15(22)17(9-12)34(27,28)29;;;/h2-9,21H,22-23H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);2*1H3;1H/q;;;+1/p-1",C20H19N3O9S3.2H3N,,,,,,UCBBAUHQGDCGNX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.968,299-012-9,93841-43-1,"1,3-dibutyl-1,1,3,3-tetrachlorodistannoxane","1,3-dibutyl-1,1,3,3-tetrachlorodistannoxane",CCCC[Sn](Cl)(Cl)O[Sn](Cl)(Cl)CCCC,CCCC[Sn](Cl)(Cl)O[Sn](Cl)(Cl)CCCC,"InChI=1/2C4H9.4ClH.O.2Sn/c2*1-3-4-2;;;;;;;/h2*1,3-4H2,2H3;4*1H;;;/q;;;;;;;2*+2/p-4/rC8H18Cl4OSn2/c1-3-5-7-14(9,10)13-15(11,12)8-6-4-2/h3-8H2,1-2H3",C8H18Cl4OSn2,,,,,,APFUNHDVSKJROC-UHFFFAOYSA-J,,,,,,,,,,,
100.089.975,299-020-2,93841-50-0,"9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium iodide","9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",[I-].COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1,[I-].COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1,"InChI=1/C19H18N2O.HI/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;/h5-10H,1-4H3;1H",C19H19N2O.I,,,,,,UMHIZUSDRRRZIC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.982,299-028-6,93841-57-7,"1-benzyl-1,2,3,6-tetrahydro-4-(2-methyl-1,3-dioxolan-2-yl)pyridine","1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,6-tetrahydropyridine",CC1(OCCO1)C2=CCN(Cc3ccccc3)CC2,CC1(OCCO1)C2=CCN(Cc3ccccc3)CC2,"InChI=1/C16H21NO2/c1-16(18-11-12-19-16)15-7-9-17(10-8-15)13-14-5-3-2-4-6-14/h2-7H,8-13H2,1H3",C16H21NO2,,,,,,KUQFLKWSSWDYEK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.752,286-657-6,85305-19-7,Dimethylbis[2-(oleoyloxy)ethyl]ammonium methyl phosphonate,"N,N-dimethyl-2-(oleoyloxy)-N-[2-(oleoyloxy)ethyl]ethanaminium methyl phosphonate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCC\\C=C/CCCCCCCC.COP(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCC\C=C/CCCCCCCC.COP(=O)[O-],"InChI=1/C42H80NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h19-22H,5-18,23-40H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1",C42H80NO4.CH4O3P,,,,,,NNGOGFJMSQQMOP-JDVCJPALSA-M,,,,,,,,,,,
100.078.756,286-661-8,85305-24-4,"1-amino-4-[[[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with methyl hydrogen sulphate (1:1)","methyl hydrogen sulfate - 1-amino-4-({2-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone (1:1)",COS(=O)(=O)O.CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,COS(=O)(=O)O.CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23,"InChI=1/C23H21N3O2.CH4O4S/c1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27;1-5-6(2,3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,2,3,4)",C23H21N3O2.CH4O4S,,,,,,XZDUIYPMMINGKG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.999,299-046-4,93841-75-9,"Nonasodium hydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",nonasodium hydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.9Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;/q;9*+1/p-10",C9H28N3O15P5.9Na,,,,,,LSQTZDWXOCRSTA-UHFFFAOYSA-D,,,,,,,,,,,
100.091.635,300-844-2,93963-98-5,"2,10-dipropionyl-10H-phenothiazine",1-(10-propionyl-10H-phenothiazin-2-yl)propan-1-one,CCC(=O)N1c2ccccc2Sc3ccc(cc13)C(=O)CC,CCC(=O)N1c2ccccc2Sc3ccc(cc13)C(=O)CC,"InChI=1/C18H17NO2S/c1-3-15(20)12-9-10-17-14(11-12)19(18(21)4-2)13-7-5-6-8-16(13)22-17/h5-11H,3-4H2,1-2H3",C18H17NO2S,,,,,,INBFDIYBWKUJRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.645,300-855-2,93964-08-0,N-(2-ethylhexyl)-1-[[3-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine,N-(2-ethylhexyl)-1-({3-methyl-4-[(4-methylphenyl)diazenyl]phenyl}diazenyl)naphthalen-2-amine,Cc1ccc(cc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3NCC(CC)CCCC,Cc1ccc(cc1)N=Nc2ccc(cc2C)N=Nc3c4ccccc4ccc3NCC(CC)CCCC,"InChI=1/C32H37N5/c1-5-7-10-25(6-2)22-33-31-19-15-26-11-8-9-12-29(26)32(31)37-35-28-18-20-30(24(4)21-28)36-34-27-16-13-23(3)14-17-27/h8-9,11-21,25,33H,5-7,10,22H2,1-4H3",C32H37N5,,,,,,IKTGESZMTNXFSE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.653,300-864-1,93964-16-0,2-[2-(4-nitro-2-sulphophenyl)vinyl]-5-[[4-[(4-sulphophenyl)azo]-1-naphthyl]-NNO-azoxy]benzenesulphonic acid,5-nitro-2-{2-[2-sulfo-4-({4-[(4-sulfophenyl)diazenyl]-1-naphthyl}-NNO-azoxy)phenyl]vinyl}benzenesulfonic acid,[O-][N+](=O)c5ccc(/C=C/c1ccc(cc1S(O)(=O)=O)[N+](\\[O-])=N/c4ccc(N=Nc2ccc(cc2)S(O)(=O)=O)c3ccccc34)c(c5)S(O)(=O)=O,[O-][N+](=O)c5ccc(/C=C/c1ccc(cc1S(O)(=O)=O)[N+](\[O-])=N/c4ccc(N=Nc2ccc(cc2)S(O)(=O)=O)c3ccccc34)c(c5)S(O)(=O)=O,"InChI=1/C30H21N5O12S3/c36-34(33-28-16-15-27(25-3-1-2-4-26(25)28)32-31-21-9-13-24(14-10-21)48(39,40)41)22-11-7-19(29(17-22)49(42,43)44)5-6-20-8-12-23(35(37)38)18-30(20)50(45,46)47/h1-18H,(H,39,40,41)(H,42,43,44)(H,45,46,47)",C30H21N5O12S3,,,,,,IUSUWEJHIKCWJQ-FINQMERLSA-N,,,,,,,,,,,
100.089.751,298-772-9,93839-01-1,"4,5-dichloro-2-methylanilinium chloride","4,5-dichloro-2-methylanilinium chloride",[Cl-].Cc1cc(Cl)c(Cl)cc1[NH3+],[Cl-].Cc1cc(Cl)c(Cl)cc1[NH3+],"InChI=1/C7H7Cl2N.ClH/c1-4-2-5(8)6(9)3-7(4)10;/h2-3H,10H2,1H3;1H",C7H7Cl2N.ClH,,,,,,DUJWHJDGPAUZFV-UHFFFAOYSA-N,,,,,,,,,,,
100.089.752,298-773-4,93839-02-2,2-[(2-cyanoethyl)anilino]ethyl methyl carbonate,2-{[2-(2-cyanoethyl)phenyl]amino}ethyl methyl carbonate,COC(=O)OCCNc1ccccc1CCC#N,COC(=O)OCCNc1ccccc1CCC#N,"InChI=1/C13H16N2O3/c1-17-13(16)18-10-9-15-12-7-3-2-5-11(12)6-4-8-14/h2-3,5,7,15H,4,6,9-10H2,1H3",C13H16N2O3,,,,,,BKWSFIZMQHHYBY-UHFFFAOYSA-N,,,,,,,,,,,
100.066.573,273-251-9,68955-02-2,"1,3-Propanediamine, N-[3-(C12-15-alkyloxy)propyl] derivs.","N-[3-(tridecyloxy)propyl]propane-1,3-diamine",CCCCCCCCCCCCCOCCCNCCCN,CCCCCCCCCCCCCOCCCNCCCN,"InChI=1/C19H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-22-19-14-17-21-16-13-15-20/h21H,2-20H2,1H3",-,,,,,,GKZAXVVXQZKVLY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.704,268-995-6,68155-95-3,"2-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]cyclohexa-2,5-dien-1-one","2-chloro-4-{[4-(diethylamino)-2-methylphenyl]imino}cyclohexa-2,5-dien-1-one",Cl\\C2=C\\C(=Nc1ccc(cc1C)N(CC)CC)\\C=C/C2=O,Cl\C2=C\C(=Nc1ccc(cc1C)N(CC)CC)\C=C/C2=O,"InChI=1/C17H19ClN2O/c1-4-20(5-2)14-7-8-16(12(3)10-14)19-13-6-9-17(21)15(18)11-13/h6-11H,4-5H2,1-3H3",C17H19ClN2O,,,,,,NYHORWIVCVFYFV-UHFFFAOYSA-N,,,,,,,,,,,
100.062.705,268-996-1,68155-99-7,"Bis(2-ethylhexyl) hydrogen phosphate, compound with tert-dodecylamine (1:1)","bis(2-ethylhexyl) hydrogen phosphate - 9,9-dimethyldecan-1-amine (1:1)",CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.CC(C)(C)CCCCCCCCN,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.CC(C)(C)CCCCCCCCN,"InChI=1/C16H35O4P.C12H27N/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;1-12(2,3)10-8-6-4-5-7-9-11-13/h15-16H,5-14H2,1-4H3,(H,17,18);4-11,13H2,1-3H3",C16H35O4P.C12H27N,,,,,,HBZGWNIYRGIOLH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.708,268-999-8,68156-03-6,Bis(chlorophenyl)phenylsulphonium hexafluorophosphate(1-),bis(2-chlorophenyl)(phenyl)sulfonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.Clc1ccccc1[S+](c2ccccc2)c3ccccc3Cl,F[P-](F)(F)(F)(F)F.Clc1ccccc1[S+](c2ccccc2)c3ccccc3Cl,"InChI=1/C18H13Cl2S.F6P/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;1-7(2,3,4,5)6/h1-13H;/q+1;-1",C18H13Cl2S.F6P,,,,,,CLMBFRSSQDPLCK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.709,269-000-8,68156-05-8,(chlorophenyl)diphenylsulphonium hexafluorophosphate(1-),(2-chlorophenyl)(diphenyl)sulfonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.Clc1ccccc1[S+](c2ccccc2)c3ccccc3,F[P-](F)(F)(F)(F)F.Clc1ccccc1[S+](c2ccccc2)c3ccccc3,"InChI=1/C18H14ClS.F6P/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-7(2,3,4,5)6/h1-14H;/q+1;-1",C18H14ClS.F6P,,,,,,YCNYKERCFBINBA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.713,269-005-5,68156-11-6,[[(chlorophenyl)thio]phenyl]diphenylsulphonium hexafluorophosphate(1-),{2-[(2-chlorophenyl)sulfanyl]phenyl}(diphenyl)sulfonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.Clc1ccccc1Sc2ccccc2[S+](c3ccccc3)c4ccccc4,F[P-](F)(F)(F)(F)F.Clc1ccccc1Sc2ccccc2[S+](c3ccccc3)c4ccccc4,"InChI=1/C24H18ClS2.F6P/c25-21-15-7-8-16-22(21)26-23-17-9-10-18-24(23)27(19-11-3-1-4-12-19)20-13-5-2-6-14-20;1-7(2,3,4,5)6/h1-18H;/q+1;-1",C24H18ClS2.F6P,,,,,,TYARKGONSXUKEA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.717,269-009-7,68156-19-4,Ammonium rhodium(3+) disulphate,ammonium rhodium(3+) disulphate,[NH4+].[Rh+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Rh+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S.Rh/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);/q;;;+3/p-3",H3N.2H2O4S.Rh,,,,,,CNHIAOZGVQXNCR-UHFFFAOYSA-K,,,,,,,,,,,
100.062.727,269-020-7,68171-29-9,"2,2',2''-nitrilotrisethyl tris(dihydrogen phosphate), sodium salt",sodium 2-{bis[2-(phosphonooxy)ethyl]amino}ethyl hydrogen phosphate,[Na+].OP(=O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)[O-],[Na+].OP(=O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)[O-],"InChI=1/C6H18NO12P3.Na/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16;/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);/q;+1/p-1",C6H18NO12P3.xNa,,,,,,PKDCIYMJLFIYQY-UHFFFAOYSA-M,,,,,,,,,,,
100.062.728,269-021-2,68171-30-2,"1,1'-[(2,2,2-trichloroethylidene)bis(oxyethylene)]dibenzene","1,1'-[(2,2,2-trichloroethane-1,1-diyl)bis(oxyethane-2,1-diyl)]dibenzene",ClC(Cl)(Cl)C(OCCc1ccccc1)OCCc2ccccc2,ClC(Cl)(Cl)C(OCCc1ccccc1)OCCc2ccccc2,"InChI=1/C18H19Cl3O2/c19-18(20,21)17(22-13-11-15-7-3-1-4-8-15)23-14-12-16-9-5-2-6-10-16/h1-10,17H,11-14H2",C18H19Cl3O2,,,,,,LMQHAMIDZPBQNY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.731,269-024-9,68171-35-7,Diethyladipoyl dichloride,"2,2-diethylhexanedioyl dichloride",CCC(CC)(CCCC(=O)Cl)C(=O)Cl,CCC(CC)(CCCC(=O)Cl)C(=O)Cl,"InChI=1/C10H16Cl2O2/c1-3-10(4-2,9(12)14)7-5-6-8(11)13/h3-7H2,1-2H3",C10H16Cl2O2,,,,,,LRFGHPBDYXVMQO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.736,269-030-1,68171-53-9,"Octanoic acid, compound with 1-aminopropan-2-ol (1:1)",octanoic acid - 1-aminopropan-2-ol (1:1),CCCCCCCC(=O)O.CC(O)CN,CCCCCCCC(=O)O.CC(O)CN,"InChI=1/C8H16O2.C3H9NO/c1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-7H2,1H3,(H,9,10);3,5H,2,4H2,1H3",C8H16O2.C3H9NO,,,,,,NWHZTFUOECHPPL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.738,269-032-2,68171-60-8,"1-(carboxylatomethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium","[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium-1-yl]acetate",CCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-],CCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-],"InChI=1/C14H26N2O3/c1-2-3-4-5-6-7-13-15-8-9-16(13,10-11-17)12-14(18)19/h17H,2-12H2,1H3",C14H26N2O3,,,,,,IGYYYMBAPCNKSD-UHFFFAOYSA-N,,,,,,,,,,,
100.062.740,269-034-3,68181-17-9,"1-[1-oxo-3-(2-pyridyldithio)propoxy]pyrrolidine-2,5-dione","1-{[3-(pyridin-2-yldisulfanyl)propanoyl]oxy}pyrrolidine-2,5-dione",O=C(CCSSc1ccccn1)ON2C(=O)CCC2=O,O=C(CCSSc1ccccn1)ON2C(=O)CCC2=O,"InChI=1/C12H12N2O4S2/c15-10-4-5-11(16)14(10)18-12(17)6-8-19-20-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2",C12H12N2O4S2,,,,,,JWDFQMWEFLOOED-UHFFFAOYSA-N,,,,,,,,,,,
100.067.161,273-898-7,69164-69-8,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-hexanoate","11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl hexanoate",CCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C27H38O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h10,12,14,19-21,24,29,32H,4-9,11,13,15-16H2,1-3H3",C27H38O6,,,,,,DNSAKUGJOSFARZ-FOMYWIRZSA-N,,,,,,,,,,,
100.067.162,273-899-2,69178-34-3,Cobalt(2+) diammonium (1-hydroxyethylidene)bisphosphonate,"diammonium cobalt(2+) (1-hydroxyethane-1,1-diyl)bis(phosphonate)",[NH4+].[NH4+].[Co+2].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],[NH4+].[NH4+].[Co+2].CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-],"InChI=1/C2H8O7P2.Co.2H3N/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;2*1H3/q;+2;;/p-2",C2H8O7P2.Co.2H3N,,,,,,UXFUHUYSIFISCS-UHFFFAOYSA-L,,,,,,,,,,,
100.067.163,273-900-6,69178-35-4,"2-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate",3-{[2-{[(6-aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}-6-methylbicyclo[2.2.1]heptane-2-carboxylic acid,CCC(CO)(COC(=O)CCCCCN)COC(=O)C1C2CC(C)C(C2)C1C(=O)O,CCC(CO)(COC(=O)CCCCCN)COC(=O)C1C2CC(C)C(C2)C1C(=O)O,"InChI=1/C22H37NO7/c1-3-22(11-24,12-29-17(25)7-5-4-6-8-23)13-30-21(28)18-15-9-14(2)16(10-15)19(18)20(26)27/h14-16,18-19,24H,3-13,23H2,1-2H3,(H,26,27)",C22H37NO7,,,,,,OSUIYPNGJIVLBX-UHFFFAOYSA-N,,,,,,,,,,,
100.067.166,273-903-2,69178-39-8,"[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen cyclohexane-1,2-dicarboxylate",2-{[2-{[(6-aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}cyclohexanecarboxylic acid,CCC(CO)(COC(=O)CCCCCN)COC(=O)C1CCCCC1C(=O)O,CCC(CO)(COC(=O)CCCCCN)COC(=O)C1CCCCC1C(=O)O,"InChI=1/C20H35NO7/c1-2-20(12-22,13-27-17(23)10-4-3-7-11-21)14-28-19(26)16-9-6-5-8-15(16)18(24)25/h15-16,22H,2-14,21H2,1H3,(H,24,25)",C20H35NO7,,,,,,CPEPBVDDMUAZAA-UHFFFAOYSA-N,,,,,,,,,,,
100.067.172,273-910-0,69201-68-9,"DL-aspartic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","L-aspartic acid - 2,2',2''-nitrilotriethanol (1:1)",N[C@@H](CC(=O)O)C(=O)O.OCCN(CCO)CCO,N[C@@H](CC(=O)O)C(=O)O.OCCN(CCO)CCO,"InChI=1/C6H15NO3.C4H7NO4/c8-4-1-7(2-5-9)3-6-10;5-2(4(8)9)1-3(6)7/h8-10H,1-6H2;2H,1,5H2,(H,6,7)(H,8,9)",C6H15NO3.C4H7NO4,,,,,,JXQLSFGNCSECAG-WNQIDUERSA-N,,,,,,,,,,,
100.067.173,273-911-6,69205-08-9,2-methylbutyl nonan-1-oate,2-methylbutyl nonanoate,CCCCCCCCC(=O)OCC(C)CC,CCCCCCCCC(=O)OCC(C)CC,"InChI=1/C14H28O2/c1-4-6-7-8-9-10-11-14(15)16-12-13(3)5-2/h13H,4-12H2,1-3H3",C14H28O2,,,,,,VJMUYXUHYWZMAT-UHFFFAOYSA-N,,,,,,,,,,,
100.067.179,273-917-9,69224-79-9,"9-chloro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-propionate","9-chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propionate",CCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,CCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,"InChI=1/C25H33ClO6/c1-5-21(30)32-13-20(29)25(31)14(2)10-18-17-7-6-15-11-16(27)8-9-22(15,3)24(17,26)19(28)12-23(18,25)4/h8-9,11,14,17-19,28,31H,5-7,10,12-13H2,1-4H3",C25H33ClO6,,,,,,OPNPEZLXXKGRTA-XGQKBEPLSA-N,,,,,,,,,,,
100.067.180,273-918-4,69225-59-8,"3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one","3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one",CC1(C)COC2(CCC(=O)CC2)OC1,CC1(C)COC2(CCC(=O)CC2)OC1,"InChI=1/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3",C11H18O3,,,,,,COKVDTKAWIFNTH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.580,275-462-1,71459-28-4,"N,N'-[[6-(methylthio)-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)","N,N'-{[6-(methylsulfanyl)-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]}dibenzamide",CSc1nc(Nc2cccc3C(=O)c4c(NC(=O)c5ccccc5)cccc4C(=O)c23)nc(Nc6cccc7C(=O)c8c(NC(=O)c9ccccc9)cccc8C(=O)c67)n1,CSc1nc(Nc2cccc3C(=O)c4c(NC(=O)c5ccccc5)cccc4C(=O)c23)nc(Nc6cccc7C(=O)c8c(NC(=O)c9ccccc9)cccc8C(=O)c67)n1,"InChI=1/C46H29N7O6S/c1-60-46-52-44(49-32-22-10-18-28-36(32)40(56)26-16-8-20-30(34(26)38(28)54)47-42(58)24-12-4-2-5-13-24)51-45(53-46)50-33-23-11-19-29-37(33)41(57)27-17-9-21-31(35(27)39(29)55)48-43(59)25-14-6-3-7-15-25/h2-23H,1H3,(H,47,58)(H,48,59)(H2,49,50,51,52,53)",C46H29N7O6S,,,,,,PCSLQKFKSMBVDF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.601,275-485-7,71463-47-3,N-(dichlorohexyl)-2-benzothiazolesulphenoamide,"N-(1,3-benzothiazol-2-ylsulfanyl)-1,1-dichlorohexan-1-amine",CCCCCC(Cl)(Cl)NSc1nc2ccccc2s1,CCCCCC(Cl)(Cl)NSc1nc2ccccc2s1,"InChI=1/C13H16Cl2N2S2/c1-2-3-6-9-13(14,15)17-19-12-16-10-7-4-5-8-11(10)18-12/h4-5,7-8,17H,2-3,6,9H2,1H3",C13H16Cl2N2S2,,,,,,STYZNPMPOLVSPL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.604,275-488-3,71463-50-8,"3-(2,6-dichlorophenyl)-3-oxopropiononitrile","3-(2,6-dichlorophenyl)-3-oxopropanenitrile",Clc1cccc(Cl)c1C(=O)CC#N,Clc1cccc(Cl)c1C(=O)CC#N,"InChI=1/C9H5Cl2NO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3H,4H2",C9H5Cl2NO,,,,,,KCHWJFVEFMTLFE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.605,275-489-9,71463-51-9,"3,6-dichlorocyclohexane-1,2-dione","3,6-dichlorocyclohexane-1,2-dione",ClC1CCC(Cl)C(=O)C1=O,ClC1CCC(Cl)C(=O)C1=O,"InChI=1/C6H6Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h3-4H,1-2H2",C6H6Cl2O2,,,,,,LVSHXWALSXQHOL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.607,275-492-5,71463-53-1,"9-amino-1,3-dichloro-8-methylphenazin-2-ol","9-amino-1,3-dichloro-8-methylphenazin-2-ol",Cc1ccc2nc3cc(Cl)c(O)c(Cl)c3nc2c1N,Cc1ccc2nc3cc(Cl)c(O)c(Cl)c3nc2c1N,"InChI=1/C13H9Cl2N3O/c1-5-2-3-7-12(10(5)16)18-11-8(17-7)4-6(14)13(19)9(11)15/h2-4,19H,16H2,1H3",C13H9Cl2N3O,,,,,,MNKJIZWFVWROBE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.244,268-489-5,68109-75-1,"1-cyclohexyl-2,5-dihydro-1H-pyrrole","1-cyclohexyl-2,5-dihydro-1H-pyrrole",C1CCC(CC1)N2CC=CC2,C1CCC(CC1)N2CC=CC2,"InChI=1/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h4-5,10H,1-3,6-9H2",C10H17N,,,,,,MKLOLLWXCNJJKG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.079,274-910-3,70821-47-5,Methyl 2-methyl-5-oxopyrrolidine-1-acetate,methyl (2-methyl-5-oxopyrrolidin-1-yl)acetate,COC(=O)CN1C(C)CCC1=O,COC(=O)CN1C(C)CCC1=O,"InChI=1/C8H13NO3/c1-6-3-4-7(10)9(6)5-8(11)12-2/h6H,3-5H2,1-2H3",C8H13NO3,,,,,,WFZFJWWGEDTHMC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.106,274-940-7,70851-54-6,9-[2-(trimethoxysilyl)ethyl]-9H-carbazole,9-[2-(trimethoxysilyl)ethyl]-9H-carbazole,CO[Si](CCn1c2ccccc2c3ccccc13)(OC)OC,CO[Si](CCn1c2ccccc2c3ccccc13)(OC)OC,"InChI=1/C17H21NO3Si/c1-19-22(20-2,21-3)13-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11H,12-13H2,1-3H3",C17H21NO3Si,,,,,,ILBVOOPZRLHLEP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.109,274-943-3,70855-13-9,"1-(o-tolyl)hexane-2,5-dione","1-(2-methylphenyl)hexane-2,5-dione",CC(=O)CCC(=O)Cc1ccccc1C,CC(=O)CCC(=O)Cc1ccccc1C,"InChI=1/C13H16O2/c1-10-5-3-4-6-12(10)9-13(15)8-7-11(2)14/h3-6H,7-9H2,1-2H3",C13H16O2,,,,,,XSBXPCJZPZAVJT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.958,275-877-8,71720-30-4,Dicalcium L-leucinate,dicalcium L-leucinate,[Ca+2].[Ca+2].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-],[Ca+2].[Ca+2].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-],"InChI=1/4C6H13NO2.2Ca/c4*1-4(2)3-5(7)6(8)9;;/h4*4-5H,3,7H2,1-2H3,(H,8,9);;/q;;;;2*+2/p-4",C6H13NO2.2Ca,,,,,,RGJGKIBYJADPEN-BEHZNSCKSA-J,,,,,,,,,,,
100.068.964,275-884-6,71720-36-0,2-(2-methoxyethyl)pyridine sulphate,2-(2-methoxyethyl)pyridine sulfate,COCCc1ccccn1.OS(=O)(=O)O,COCCc1ccccn1.OS(=O)(=O)O,"InChI=1/C8H11NO.H2O4S/c1-10-7-5-8-4-2-3-6-9-8;1-5(2,3)4/h2-4,6H,5,7H2,1H3;(H2,1,2,3,4)",C8H11NO.xH2O4S,,,,,,PPJICNUNBYNPQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.966,275-886-7,71720-38-2,"5,5-diallylbarbituric acid, compound with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one","1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one - 5,5-diallylpyrimidine-2,4,6(1H,3H,5H)-trione (1:1)",CN1N(C(=O)C=C1C)c2ccccc2.C=CCC3(CC=C)C(=O)NC(=O)NC3=O,CN1N(C(=O)C=C1C)c2ccccc2.C=CCC3(CC=C)C(=O)NC(=O)NC3=O,"InChI=1/C11H12N2O.C10H12N2O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-8H,1-2H3;3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",C11H12N2O.xC10H12N2O3,,,,,,BAWFNKXSTKYCOE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.972,275-893-5,71720-44-0,1-(4-chlorobutoxy)-4-methylbenzene,1-(4-chlorobutoxy)-4-methylbenzene,Cc1ccc(OCCCCCl)cc1,Cc1ccc(OCCCCCl)cc1,"InChI=1/C11H15ClO/c1-10-4-6-11(7-5-10)13-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3",C11H15ClO,,,,,,VWDLBAQKWPLCJR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.973,275-894-0,71720-45-1,4-(3-nitrophenyl)-6-(4-nitrophenyl)-2-(p-tolyl)pyridine,2-(4-methylphenyl)-4-(3-nitrophenyl)-6-(4-nitrophenyl)pyridine,Cc1ccc(cc1)c2cc(cc(n2)c3ccc(cc3)[N+](=O)[O-])c4cccc(c4)[N+](=O)[O-],Cc1ccc(cc1)c2cc(cc(n2)c3ccc(cc3)[N+](=O)[O-])c4cccc(c4)[N+](=O)[O-],"InChI=1/C24H17N3O4/c1-16-5-7-17(8-6-16)23-14-20(19-3-2-4-22(13-19)27(30)31)15-24(25-23)18-9-11-21(12-10-18)26(28)29/h2-15H,1H3",C24H17N3O4,,,,,,JSRNHJSABGMMTB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.983,275-904-3,71720-55-3,Mercury(1+) ethyl sulphate,mercury ethyl sulfate,[Hg+].CCOS(=O)(=O)[O-],[Hg+].CCOS(=O)(=O)[O-],"InChI=1/C2H6O4S.Hg/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+2/p-1",C2H6O4S.Hg,,,,,,XSAODWINFUJGBE-UHFFFAOYSA-M,,,,,,,,,,,
100.068.987,275-909-0,71720-60-0,"Dipotassium 3,3'-methylenedi(naphthalene-2-sulphonate)","dipotassium 3,3'-methylenedinaphthalene-2-sulfonate",[K+].[K+].[O-]S(=O)(=O)c1cc2ccccc2cc1Cc3cc4ccccc4cc3S(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)c1cc2ccccc2cc1Cc3cc4ccccc4cc3S(=O)(=O)[O-],"InChI=1/C21H16O6S2.2K/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C21H16O6S2.2Na,,,,,,DMAKIGMBSNIBDJ-UHFFFAOYSA-L,,,,,,,,,,,
100.068.989,275-911-1,71720-62-2,Sodium 5-ethylbarbiturate,"sodium 5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1C(=O)NC(=NC1=O)[O-],[Na+].CCC1C(=O)NC(=NC1=O)[O-],"InChI=1/C6H8N2O3.Na/c1-2-3-4(9)7-6(11)8-5(3)10;/h3H,2H2,1H3,(H2,7,8,9,10,11);/q;+1/p-1",C6H8N2O3.Na,,,,,,WCBYZHCNMGVKFR-UHFFFAOYSA-M,,,,,,,,,,,
100.062.246,268-491-6,68109-80-8,6-methylheptyl benzoate,6-methylheptyl benzoate,CC(C)CCCCCOC(=O)c1ccccc1,CC(C)CCCCCOC(=O)c1ccccc1,"InChI=1/C15H22O2/c1-13(2)9-5-4-8-12-17-15(16)14-10-6-3-7-11-14/h3,6-7,10-11,13H,4-5,8-9,12H2,1-2H3",C15H22O2,,,,,,ONAJCHYEVMVJQN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.116,274-951-7,70865-21-3,1-chloro-3-[ethyl[3-methyl-4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]propan-2-ol,"1-chloro-3-(ethyl{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)propan-2-ol",ClCC(O)CN(CC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,ClCC(O)CN(CC)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2,"InChI=1/C15H18ClN5O3S/c1-3-20(9-12(22)7-16)11-4-5-13(10(2)6-11)18-19-15-17-8-14(25-15)21(23)24/h4-6,8,12,22H,3,7,9H2,1-2H3",C15H18ClN5O3S,,,,,,DFLFULOEUOENOW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.763,298-786-5,93839-16-8,1-(2-chloro-6-fluorophenyl)acetone,1-(2-chloro-6-fluorophenyl)acetone,CC(=O)Cc1c(F)cccc1Cl,CC(=O)Cc1c(F)cccc1Cl,"InChI=1/C9H8ClFO/c1-6(12)5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3",C9H8ClFO,,,,,,HLPLFUDXBAYJTD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.767,298-790-7,93839-20-4,N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide,N-(4-carbamoylphenyl)-4-methoxy-3-nitrobenzamide,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)C(=O)N,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)C(=O)N,"InChI=1/C15H13N3O5/c1-23-13-7-4-10(8-12(13)18(21)22)15(20)17-11-5-2-9(3-6-11)14(16)19/h2-8H,1H3,(H2,16,19)(H,17,20)",C15H13N3O5,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5382,https://echa.europa.eu/substance-information/-/substanceinfo/100.089.767,JXHSJUAPWJKPLE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.771,298-794-9,93839-24-8,Butoxytriphenoxystannane,butoxy(triphenoxy)stannane,CCCCO[Sn](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,CCCCO[Sn](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,"InChI=1/3C6H6O.C4H9O.Sn/c3*7-6-4-2-1-3-5-6;1-2-3-4-5;/h3*1-5,7H;2-4H2,1H3;/q;;;-1;+4/p-3/rC22H24O4Sn/c1-2-3-19-23-27(24-20-13-7-4-8-14-20,25-21-15-9-5-10-16-21)26-22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3",C22H24O4Sn,,,,,,PFLIHZUILXBRRV-UHFFFAOYSA-K,,,,,,,,,,,
100.089.775,298-799-6,93839-30-6,Benzyl(2-ethylhexyl)dimethylammonium chloride,"N-benzyl-2-ethyl-N,N-dimethylhexan-1-aminium chloride",[Cl-].CCCCC(CC)C[N+](C)(C)Cc1ccccc1,[Cl-].CCCCC(CC)C[N+](C)(C)Cc1ccccc1,"InChI=1/C17H30N.ClH/c1-5-7-11-16(6-2)14-18(3,4)15-17-12-9-8-10-13-17;/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3;1H/q+1;/p-1",C17H30N.Cl,,,,,,CHQDFPKUWSDOEC-UHFFFAOYSA-M,,,,,,,,,,,
100.089.776,298-801-5,93839-31-7,Butyl(2-ethylhexyl)dimethylammonium bromide,"N-butyl-2-ethyl-N,N-dimethylhexan-1-aminium bromide",[Br-].CCCCC(CC)C[N+](C)(C)CCCC,[Br-].CCCCC(CC)C[N+](C)(C)CCCC,"InChI=1/C14H32N.BrH/c1-6-9-11-14(8-3)13-15(4,5)12-10-7-2;/h14H,6-13H2,1-5H3;1H/q+1;/p-1",C14H32N.Br,,,,,,GRJJERMAONLFPW-UHFFFAOYSA-M,,,,,,,,,,,
100.089.777,298-802-0,93839-32-8,N-(2-aminoethyl)-N-dodecylethylenediamine hydrochloride,"N-(2-aminoethyl)-N-dodecylethane-1,2-diamine hydrochloride",Cl.CCCCCCCCCCCCN(CCN)CCN,Cl.CCCCCCCCCCCCN(CCN)CCN,"InChI=1/C16H37N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17)16-13-18;/h2-18H2,1H3;1H",C16H37N3.xClH,,,,,,GDMGWAGVQQYKKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.657,300-868-3,93964-20-6,"8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid","8-[(4-acetamidophenyl)amino]-5-amino-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonic acid",CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4cccc(c4C(=O)c23)S(=O)(=O)O)S(=O)(=O)O)cc1,CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4cccc(c4C(=O)c23)S(=O)(=O)O)S(=O)(=O)O)cc1,"InChI=1/C22H17N3O9S2/c1-10(26)24-11-5-7-12(8-6-11)25-14-9-16(36(32,33)34)20(23)19-18(14)22(28)17-13(21(19)27)3-2-4-15(17)35(29,30)31/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)",C22H17N3O9S2,,,,,,TXFCMXHXEUCLNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.671,300-884-0,93964-37-5,"Octadecen-1-ol, phosphate, compd. with 2-aminoethanol",-,NCCO.[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC,NCCO.[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC,"InChI=1/C18H37O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;3-1-2-4/h17-18H,2-16H2,1H3,(H2,19,20,21);4H,1-3H2/p-2",-,,,,,,SCTWVFXOEWSZOB-UHFFFAOYSA-L,,,,,,,,,,,
100.091.676,300-889-8,93964-42-2,"Sodium 2-[[2-amino-6-[[4'-[(3-carboxy-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-7-sulpho-1-naphthyl]azo]-5-nitrobenzoate","sodium 2-{[2-amino-6-({4'-[(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-hydroxy-7-sulfo-1-naphthyl]diazenyl}-5-nitrobenzoate",[Na+].COc4cc(ccc4N=Nc3c(cc2c(N=Nc1ccc(cc1C([O-])=O)[N+]([O-])=O)c(N)ccc2c3O)S(O)(=O)=O)c6ccc(N=Nc5cc(C(O)=O)c(O)cc5)c(OC)c6,[Na+].COc4cc(ccc4N=Nc3c(cc2c(N=Nc1ccc(cc1C([O-])=O)[N+]([O-])=O)c(N)ccc2c3O)S(O)(=O)=O)c6ccc(N=Nc5cc(C(O)=O)c(O)cc5)c(OC)c6,"InChI=1/C38H28N8O13S.Na/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50;/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57);/q;+1/p-1",C38H28N8O13S.xNa,,,,,,KIECRFLINDFGMD-UHFFFAOYSA-M,,,,,,,,,,,
100.091.689,300-903-2,93964-57-9,"5-[[4'-[(8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylic acid","5-({4'-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-2-hydroxybenzoic acid",COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)c5ccc(N=Nc4cc(C(O)=O)c(O)cc4)c(OC)c5,COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S(O)(=O)=O)S(O)(=O)=O)c5ccc(N=Nc4cc(C(O)=O)c(O)cc4)c(OC)c5,"InChI=1/C31H25N5O12S2/c1-47-25-10-15(3-6-22(25)34-33-18-5-8-24(37)20(13-18)31(39)40)16-4-7-23(26(11-16)48-2)35-36-29-27(50(44,45)46)12-17-9-19(49(41,42)43)14-21(32)28(17)30(29)38/h3-14,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)(H,44,45,46)",C31H25N5O12S2,,,,,,OATVEOVJHMSSNG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.813,286-725-5,85351-03-7,2-methylnonanenitrile,2-methylnonanenitrile,CCCCCCCC(C)C#N,CCCCCCCC(C)C#N,"InChI=1/C10H19N/c1-3-4-5-6-7-8-10(2)9-11/h10H,3-8H2,1-2H3",C10H19N,,,,,,YZBWLYWBKFUJNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.814,286-726-0,85351-04-8,3-methyloctanenitrile,3-methyloctanenitrile,CCCCCC(C)CC#N,CCCCCC(C)CC#N,"InChI=1/C9H17N/c1-3-4-5-6-9(2)7-8-10/h9H,3-7H2,1-2H3",C9H17N,,,,,,BEEDZKVDQYSTPC-UHFFFAOYSA-N,,,,,,,,,,,
100.062.745,269-040-6,68186-39-0,"Phosphoric acid, butyl 2-ethoxyethyl ester",butyl 2-ethoxyethyl hydrogen phosphate,CCCCOP(=O)(O)OCCOCC,CCCCOP(=O)(O)OCCOCC,"InChI=1/C8H19O5P/c1-3-5-6-12-14(9,10)13-8-7-11-4-2/h3-8H2,1-2H3,(H,9,10)",-,,,,,,NEDVNUPDHHLVKV-UHFFFAOYSA-N,,,,,,,,,,,
100.064.838,271-343-3,68541-12-8,"2-ethyl-2-(hydroxymethyl)propane-1,3-diyl dinonan-1-oate",2-(hydroxymethyl)-2-[(nonanoyloxy)methyl]butyl nonanoate (non-preferred name),CCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC,CCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC,"InChI=1/C24H46O5/c1-4-7-9-11-13-15-17-22(26)28-20-24(6-3,19-25)21-29-23(27)18-16-14-12-10-8-5-2/h25H,4-21H2,1-3H3",C24H46O5,,,,,,OSWACFGNXYGNIT-UHFFFAOYSA-N,,,,,,,,,,,
100.064.848,271-354-3,68548-08-3,"1,2,2,6,6-pentamethyl-4-piperidyl methacrylate","1,2,2,6,6-pentamethylpiperidin-4-yl methacrylate",CN1C(C)(C)CC(CC1(C)C)OC(=O)C(=C)C,CN1C(C)(C)CC(CC1(C)C)OC(=O)C(=C)C,"InChI=1/C14H25NO2/c1-10(2)12(16)17-11-8-13(3,4)15(7)14(5,6)9-11/h11H,1,8-9H2,2-7H3",C14H25NO2,,,,,,NWPIOULNZLJZHU-UHFFFAOYSA-N,,,,,,,,,,,
100.064.859,271-366-9,68551-17-7,"Alkanes, C10-13-iso-",2-methyldecane,CCCCCCCCC(C)C,CCCCCCCCC(C)C,"InChI=1/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3",-,,,,,,CNPVJWYWYZMPDS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.598,273-279-1,68955-53-3,"Amines, C12-14-tert-alkyl","10,10-dimethylundecan-1-amine",CC(C)(C)CCCCCCCCCN,CC(C)(C)CCCCCCCCCN,"InChI=1/C13H29N/c1-13(2,3)11-9-7-5-4-6-8-10-12-14/h4-12,14H2,1-3H3",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1880,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.598,XWBTWKLPOWCMEX-UHFFFAOYSA-N,,,,,,,,,,,
100.068.125,274-961-1,70865-33-7,3-chloro-N-(2-chloroethyl)-4-[[4-[(2-hydroxyethyl)amino]-1-naphthyl]azo]benzenesulphonamide,3-chloro-N-(2-chloroethyl)-4-({4-[(2-hydroxyethyl)amino]-1-naphthyl}diazenyl)benzenesulfonamide,Clc3cc(ccc3N=Nc2ccc(NCCO)c1ccccc12)S(=O)(=O)NCCCl,Clc3cc(ccc3N=Nc2ccc(NCCO)c1ccccc12)S(=O)(=O)NCCCl,"InChI=1/C20H20Cl2N4O3S/c21-9-10-24-30(28,29)14-5-6-20(17(22)13-14)26-25-19-8-7-18(23-11-12-27)15-3-1-2-4-16(15)19/h1-8,13,23-24,27H,9-12H2",C20H20Cl2N4O3S,,,,,,ZFEWUEDSAGGNJB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.129,274-965-3,70865-39-3,"Tetrasodium hydrogen 2-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(2-sulphonatophenyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate","tetrasodium hydrogen 2-{[4-chloro-6-({8-hydroxy-3,6-disulfonato-7-[(2-sulfonatophenyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}-5-sulfonatobenzoate",[H+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccc(cc4C([O-])=O)S([O-])(=O)=O)n5,[H+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccc(cc4C([O-])=O)S([O-])(=O)=O)n5,"InChI=1/C26H18ClN7O15S4.4Na.H2/c27-24-30-25(28-15-6-5-12(50(38,39)40)9-14(15)23(36)37)32-26(31-24)29-17-10-13(51(41,42)43)7-11-8-19(53(47,48)49)21(22(35)20(11)17)34-33-16-3-1-2-4-18(16)52(44,45)46;;;;;/h1-10,35H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,28,29,30,31,32);;;;;1H/q;5*+1/p-5",C26H18ClN7O15S4.4Na,,,,,,YWHVHTFUQOLOQS-UHFFFAOYSA-J,,,,,,,,,,,
100.068.131,274-967-4,70869-38-4,2-hydroxy-3-[3-(trihydroxysilyl)propoxy]propane-1-sulphonic acid,2-hydroxy-3-[3-(trihydroxysilyl)propoxy]propane-1-sulfonic acid,OC(COCCC[Si](O)(O)O)CS(=O)(=O)O,OC(COCCC[Si](O)(O)O)CS(=O)(=O)O,"InChI=1/C6H16O8SSi/c7-6(5-15(8,9)10)4-14-2-1-3-16(11,12)13/h6-7,11-13H,1-5H2,(H,8,9,10)",C6H16O8SSi,,,,,,OGAIYCZMKDJRSU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.132,274-969-5,70873-13-1,"2-[[4-(diethylamino)-o-tolyl]azo]-3,5-dinitrobenzonitrile","2-{[4-(diethylamino)-2-methylphenyl]diazenyl}-3,5-dinitrobenzonitrile",CCN(CC)c2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)[N+]([O-])=O)c(C)c2,CCN(CC)c2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)[N+]([O-])=O)c(C)c2,"InChI=1/C18H18N6O4/c1-4-22(5-2)14-6-7-16(12(3)8-14)20-21-18-13(11-19)9-15(23(25)26)10-17(18)24(27)28/h6-10H,4-5H2,1-3H3",C18H18N6O4,,,,,,OJNGWWKPTBFTPN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.133,274-970-0,70875-96-6,Zinc o-acetylsalicylate,zinc bis(2-acetoxybenzoate),[Zn+2].O=C(C)Oc1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1OC(C)=O,[Zn+2].O=C(C)Oc1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1OC(C)=O,"InChI=1/2C9H8O4.Zn/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2",C9H8O4.1/2Zn,,,,,,QERFJLRDDKQIKF-UHFFFAOYSA-L,,,,,,,,,,,
100.062.746,269-041-1,68186-45-8,"Phosphoric acid, decyl octyl ester",decyl octyl hydrogen phosphate,CCCCCCCCCCOP(=O)(O)OCCCCCCCC,CCCCCCCCCCOP(=O)(O)OCCCCCCCC,"InChI=1/C18H39O4P/c1-3-5-7-9-11-12-14-16-18-22-23(19,20)21-17-15-13-10-8-6-4-2/h3-18H2,1-2H3,(H,19,20)",-,,,,,,RHDXLWRMKPYIFH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.876,269-185-5,68189-28-6,2-chloro-6-nitrotoluene-4-sulphonic acid,3-chloro-4-methyl-5-nitrobenzenesulfonic acid,Cc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)O,Cc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H6ClNO5S/c1-4-6(8)2-5(15(12,13)14)3-7(4)9(10)11/h2-3H,1H3,(H,12,13,14)",C7H6ClNO5S,,,,,,PFQCWESEIXPRLI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.888,269-198-6,68189-42-4,"p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)","4-nitrophenyl dihydrogen phosphate - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)",NC(CO)(CO)CO.NC(CO)(CO)CO.OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-],NC(CO)(CO)CO.NC(CO)(CO)CO.OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H6NO6P.2C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12);2*6-8H,1-3,5H2",C6H6NO6P.2C4H11NO3,,,,,,XXAXKCWOTRABOW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.613,275-498-8,71463-59-7,"2,6-dichlorophenyl valerate","2,6-dichlorophenyl valerate",CCCCC(=O)Oc1c(Cl)cccc1Cl,CCCCC(=O)Oc1c(Cl)cccc1Cl,"InChI=1/C11H12Cl2O2/c1-2-3-7-10(14)15-11-8(12)5-4-6-9(11)13/h4-6H,2-3,7H2,1H3",C11H12Cl2O2,,,,,,ISMFOXVVLSHSRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.845,270-251-0,68413-79-6,"1,1'-(1,2-phenylenedicarbonyl)bis-1H-imidazole","1,1'-(1,2-phenylenedicarbonyl)bis(1H-imidazole)",O=C(c1ccccc1C(=O)n2ccnc2)n3ccnc3,O=C(c1ccccc1C(=O)n2ccnc2)n3ccnc3,InChI=1/C14H10N4O2/c19-13(17-7-5-15-9-17)11-3-1-2-4-12(11)14(20)18-8-6-16-10-18/h1-10H,C14H10N4O2,,,,,,PJWURJVLYPGKCO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.846,270-252-6,68413-80-9,"Boric acid, compd. with 2,2',2''-nitrilotris[ethanol]","2,2',2''-nitrilotriethanol borate (salt)",OCCN(CCO)CCO.OB(O)O,OCCN(CCO)CCO.OB(O)O,"InChI=1/C6H15NO3.BH3O3/c8-4-1-7(2-5-9)3-6-10;2-1(3)4/h8-10H,1-6H2;2-4H",-,,,,,,HJVAFZMYQQSPHF-UHFFFAOYSA-N,,,,,,,,,,,
100.063.856,270-263-6,68413-92-3,"Sodium a-hydroxy-3,4-dimethoxytoluene-a-sulphonate","sodium (3,4-dimethoxyphenyl)(hydroxy)methanesulfonate",[Na+].COc1ccc(cc1OC)C(O)S(=O)(=O)[O-],[Na+].COc1ccc(cc1OC)C(O)S(=O)(=O)[O-],"InChI=1/C9H12O6S.Na/c1-14-7-4-3-6(5-8(7)15-2)9(10)16(11,12)13;/h3-5,9-10H,1-2H3,(H,11,12,13);/q;+1/p-1",C9H12O6S.Na,,,,,,AEPVNIIEAIDSSS-UHFFFAOYSA-M,,,,,,,,,,,
100.065.375,271-934-6,68631-06-1,"Hydrogen fluoride, compound with 1,1'-oxydibutane (2:1)","hydrogen fluoride, compound with 1,1'-oxydibutane (2:1)",[F-].[F-].CCCCOCCCC,[F-].[F-].CCCCOCCCC,"InChI=1/C8H18O.2FH/c1-3-5-7-9-8-6-4-2;;/h3-8H2,1-2H3;2*1H/p-2",C8H18O.2FH,,,,,,XYGVBOITTZOIMV-UHFFFAOYSA-L,,,,,,,,,,,
100.066.708,273-400-8,68959-16-0,"Sodium 2-[[[2,5-dichloro-4-[[4-(diethylamino)-2-methylphenyl]azo]phenyl]sulphonyl]amino]ethanesulphonate","sodium 2-{[(2,5-dichloro-4-{[4-(diethylamino)-2-methylphenyl]diazenyl}phenyl)sulfonyl]amino}ethanesulfonate",[Na+].Clc2cc(c(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC)S(=O)(=O)NCCS([O-])(=O)=O,[Na+].Clc2cc(c(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC)S(=O)(=O)NCCS([O-])(=O)=O,"InChI=1/C19H24Cl2N4O5S2.Na/c1-4-25(5-2)14-6-7-17(13(3)10-14)23-24-18-11-16(21)19(12-15(18)20)32(29,30)22-8-9-31(26,27)28;/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,26,27,28);/q;+1/p-1",C19H24Cl2N4O5S2.Na,,,,,,KCSWTFXKCIOTGC-UHFFFAOYSA-M,,,,,,,,,,,
100.066.709,273-401-3,68959-17-1,"Disodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].Clc4c(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(F)nc4F,[Na+].[Na+].Clc4c(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(F)nc4F,"InChI=1/C21H14ClF2N5O8S2.2Na/c1-37-11-3-5-13(14(8-11)38(31,32)33)28-29-17-15(39(34,35)36)7-9-6-10(2-4-12(9)18(17)30)25-20-16(22)19(23)26-21(24)27-20;;/h2-8,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C21H14ClF2N5O8S2.2Na,,,,,,HJORILXJGREZJU-UHFFFAOYSA-L,,,,,,,,,,,
100.066.715,273-408-1,68959-24-0,"2-[3-[2-(2-hydroxyethoxy)ethoxy]-2,2-dimethyl-1-(1-methylethyl)propoxy]ethanol","2-{3-[2-(2-hydroxyethoxy)ethoxy]-1-isopropyl-2,2-dimethylpropoxy}ethanol",CC(C)C(OCCO)C(C)(C)COCCOCCO,CC(C)C(OCCO)C(C)(C)COCCOCCO,"InChI=1/C14H30O5/c1-12(2)13(19-8-6-16)14(3,4)11-18-10-9-17-7-5-15/h12-13,15-16H,5-11H2,1-4H3",C14H30O5,,,,,,PSYZTTIDPMAIDA-UHFFFAOYSA-N,,,,,,,,,,,
100.066.717,273-410-2,68959-26-2,(2-hydroxyethyl)[2-(stearoyloxy)ethyl]ammonium acetate,2-hydroxy-N-[2-(stearoyloxy)ethyl]ethanaminium acetate,CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]CCO.CC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]CCO.CC(=O)[O-],"InChI=1/C22H45NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24;1-2(3)4/h23-24H,2-21H2,1H3;1H3,(H,3,4)",C22H45NO3.C2H4O2,,,,,,VURMITXDJWYSTB-UHFFFAOYSA-N,,,,,,,,,,,
100.066.720,273-413-9,68959-32-0,3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-2-naphthoic acid,3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-2-naphthoic acid,[O-][N+](=O)c3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(C)cc3,[O-][N+](=O)c3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(C)cc3,"InChI=1/C18H13N3O5/c1-10-6-7-12(21(25)26)9-15(10)19-20-16-13-5-3-2-4-11(13)8-14(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24)",C18H13N3O5,,,,,,XGIFPIXDLFQMOU-UHFFFAOYSA-N,,,,,,,,,,,
100.066.722,273-416-5,68959-43-3,4-chloro-N-(3-methoxypropyl)-3-nitrobenzenesulphonamide,4-chloro-N-(3-methoxypropyl)-3-nitrobenzenesulfonamide,COCCCNS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],COCCCNS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],"InChI=1/C10H13ClN2O5S/c1-18-6-2-5-12-19(16,17)8-3-4-9(11)10(7-8)13(14)15/h3-4,7,12H,2,5-6H2,1H3",C10H13ClN2O5S,,,,,,YAWMNZHPWVHLMW-UHFFFAOYSA-N,,,,,,,,,,,
100.066.732,273-427-5,68966-33-6,"4-amino-4',4''-dianilinotrityl alcohol",(4-aminophenyl)[bis(4-anilinophenyl)]methanol,Nc1ccc(cc1)C(O)(c2ccc(Nc3ccccc3)cc2)c4ccc(Nc5ccccc5)cc4,Nc1ccc(cc1)C(O)(c2ccc(Nc3ccccc3)cc2)c4ccc(Nc5ccccc5)cc4,"InChI=1/C31H27N3O/c32-26-17-11-23(12-18-26)31(35,24-13-19-29(20-14-24)33-27-7-3-1-4-8-27)25-15-21-30(22-16-25)34-28-9-5-2-6-10-28/h1-22,33-35H,32H2",C31H27N3O,,,,,,QRFCCCIWAVNXSF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.119,274-954-3,70865-27-9,"Disodium 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 6-[(4,6-dichloro-1,3,5-triazin-2-yl)(methyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].CN(c1nc(Cl)nc(Cl)n1)c3cc4c(O)c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(cc4cc3)S([O-])(=O)=O,[Na+].[Na+].CN(c1nc(Cl)nc(Cl)n1)c3cc4c(O)c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(cc4cc3)S([O-])(=O)=O,"InChI=1/C21H16Cl2N6O8S2.2Na/c1-29(21-25-19(22)24-20(23)26-21)11-4-3-10-7-16(39(34,35)36)17(18(30)13(10)8-11)28-27-14-6-5-12(37-2)9-15(14)38(31,32)33;;/h3-9,30H,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C21H16Cl2N6O8S2.2Na,,,,,,QDTRFBUDYHJCDV-UHFFFAOYSA-L,,,,,,,,,,,
100.068.121,274-956-4,70865-29-1,"Disodium 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulphonate","disodium 4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonate",[Na+].[Na+].O=C3/C(=C(/C)\\C(\\N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)c(cc2S([O-])(=O)=O)S([O-])(=O)=O)=C(\\O)N3CC)C(N)=O,[Na+].[Na+].O=C3/C(=C(/C)\C(\N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)c(cc2S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N3CC)C(N)=O,"InChI=1/C18H16Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-5,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2",C18H16Cl2N8O9S2.2Na,,,,,,KTPJWZKVPDUBMJ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.633,276-620-2,72379-43-2,"Disodium 6-amino-3-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate","disodium 6-amino-3-({4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].Clc4c(Nc3ccc(N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O)c(c3)S([O-])(=O)=O)nc(F)nc4F,[Na+].[Na+].Clc4c(Nc3ccc(N=Nc2c(cc1ccc(N)cc1c2O)S([O-])(=O)=O)c(c3)S([O-])(=O)=O)nc(F)nc4F,"InChI=1/C20H13ClF2N6O7S2.2Na/c21-15-18(22)26-20(23)27-19(15)25-10-3-4-12(13(7-10)37(31,32)33)28-29-16-14(38(34,35)36)5-8-1-2-9(24)6-11(8)17(16)30;;/h1-7,30H,24H2,(H,25,26,27)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C20H13ClF2N6O7S2.2Na,,,,,,JLUPQARFMIVFGM-UHFFFAOYSA-L,,,,,,,,,,,
100.069.634,276-621-8,72379-48-7,"1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-1,1-dimethylhydrazinium acetate","1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-1,1-dimethyldiazanium acetate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O.[O-]C(C)=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O.[O-]C(C)=O,"InChI=1/C18H24ClN6O2.C2H4O2/c1-4-23(11-12-25(2,3)20)15-7-5-14(6-8-15)21-22-18-10-9-16(24(26)27)13-17(18)19;1-2(3)4/h5-10,13H,4,11-12,20H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C18H24ClN6O2.C2H3O2,,,,,,QYPUKHLDCSFLDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.069.638,276-626-5,72386-53-9,"Tris(3,5,5-trimethylhexyl) phosphate","tris(3,5,5-trimethylhexyl) phosphate",CC(CCOP(=O)(OCCC(C)CC(C)(C)C)OCCC(C)CC(C)(C)C)CC(C)(C)C,CC(CCOP(=O)(OCCC(C)CC(C)(C)C)OCCC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C27H57O4P/c1-22(19-25(4,5)6)13-16-29-32(28,30-17-14-23(2)20-26(7,8)9)31-18-15-24(3)21-27(10,11)12/h22-24H,13-21H2,1-12H3",C27H57O4P,,,,,,XJLVCRZMJZCMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.639,276-627-0,72388-18-2,2-dodecylhexadecan-1-ol,2-dodecylhexadecan-1-ol,CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC,CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC,"InChI=1/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3",C28H58O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12621,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.639,DEMBLPGWNXUBIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.997,275-920-0,71720-94-0,"Trisodium 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate","trisodium 4-({4-[(chloroacetyl)amino]phenyl}diazenyl)-4'-[(1-hydroxy-4-sulfonato-2-naphthyl)diazenyl]-5,5'-dimethylbiphenyl-2,2'-disulfonate",[Na+].[Na+].[Na+].ClCC(=O)Nc1ccc(cc1)N=Nc2cc(c(cc2C)c3cc(C)c(cc3S([O-])(=O)=O)N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].ClCC(=O)Nc1ccc(cc1)N=Nc2cc(c(cc2C)c3cc(C)c(cc3S([O-])(=O)=O)N=Nc5cc(c4ccccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C32H26ClN5O11S3.3Na/c1-17-11-23(29(51(44,45)46)13-25(17)36-35-20-9-7-19(8-10-20)34-31(39)16-33)24-12-18(2)26(14-30(24)52(47,48)49)37-38-27-15-28(50(41,42)43)21-5-3-4-6-22(21)32(27)40;;;/h3-15,40H,16H2,1-2H3,(H,34,39)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C32H26ClN5O11S3.3Na,,,,,,YNJRXWQXVAMJNY-UHFFFAOYSA-K,,,,,,,,,,,
100.062.014,268-235-3,68039-17-8,"N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine","N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine",CN(CCCN)CCCNc1ccccc1[N+](=O)[O-],CN(CCCN)CCCNc1ccccc1[N+](=O)[O-],"InChI=1/C13H22N4O2/c1-16(10-4-8-14)11-5-9-15-12-6-2-3-7-13(12)17(18)19/h2-3,6-7,15H,4-5,8-11,14H2,1H3",C13H22N4O2,,,,,,WRRAOGAZOQEGQE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.025,268-247-9,68039-29-2,(E)-geranyl nonan-1-oate,"3,7-dimethylocta-2,6-dien-1-yl nonanoate",CCCCCCCCC(=O)OC\\C=C(/C)\\CCC=C(C)C,CCCCCCCCC(=O)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C19H34O2/c1-5-6-7-8-9-10-14-19(20)21-16-15-18(4)13-11-12-17(2)3/h12,15H,5-11,13-14,16H2,1-4H3",C19H34O2,,,,,,WVOMTKJRDMPOCF-OBGWFSINSA-N,,,,,,,,,,,
100.062.027,268-250-5,68039-32-7,"N-cyano-N',N''-bis(methoxymethyl)guanidine","1-cyano-2,3-bis(methoxymethyl)guanidine",COCN\\C(=N\\COC)\\NC#N,COCN\C(=N\COC)\NC#N,"InChI=1/C6H12N4O2/c1-11-4-9-6(8-3-7)10-5-12-2/h4-5H2,1-2H3,(H2,8,9,10)",C6H12N4O2,,,,,,UAITYSAJVWQMCH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.815,286-727-6,85351-05-9,3-methyldecanenitrile,3-methyldecanenitrile,CCCCCCCC(C)CC#N,CCCCCCCC(C)CC#N,"InChI=1/C11H21N/c1-3-4-5-6-7-8-11(2)9-10-12/h11H,3-9H2,1-2H3",C11H21N,,,,,,MIKYASNSDCJESJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.817,286-729-7,85351-07-1,3-methyldodecanonitrile,3-methyldodecanenitrile,CCCCCCCCCC(C)CC#N,CCCCCCCCCC(C)CC#N,"InChI=1/C13H25N/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h13H,3-11H2,1-2H3",C13H25N,,,,,,ZKCZXPOYIUVRIV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.823,286-736-5,85356-84-9,1-[2-[[3-(allyloxy)-2-hydroxypropyl]amino]ethyl]imidazolidin-2-one,1-(2-{[3-(allyloxy)-2-hydroxypropyl]amino}ethyl)imidazolidin-2-one,OC(CNCCN1CCNC1=O)COCC=C,OC(CNCCN1CCNC1=O)COCC=C,"InChI=1/C11H21N3O3/c1-2-7-17-9-10(15)8-12-3-5-14-6-4-13-11(14)16/h2,10,12,15H,1,3-9H2,(H,13,16)",C11H21N3O3,,,,,,QULBNKHMPKDBJG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.830,286-743-3,85371-60-4,"Trisodium dichloroanthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15-triyl tris(sulphate)","trisodium 1,2-dichloroanthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15-triyl trisulfate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c1ccc4c5ccc6c(OS(=O)(=O)[O-])c7ccc(Cl)c(Cl)c7c8ccc(nc34)c5c68,[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c1ccc4c5ccc6c(OS(=O)(=O)[O-])c7ccc(Cl)c(Cl)c7c8ccc(nc34)c5c68,"InChI=1/C31H15Cl2NO12S3.3Na/c32-21-11-9-19-24(27(21)33)17-10-12-22-25-13(5-7-18(23(17)25)30(19)45-48(38,39)40)14-6-8-20-26(28(14)34-22)31(46-49(41,42)43)16-4-2-1-3-15(16)29(20)44-47(35,36)37;;;/h1-12H,(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3",C31H15Cl2NO12S3.3Na,,,,,,AQPOBELCHWQSKM-UHFFFAOYSA-K,,,,,,,,,,,
100.078.832,286-745-4,85371-62-6,"[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-N-(3-ethoxypropyl)benzenesulphonamide","2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-N-(3-ethoxypropyl)benzenesulfonamide",CCOCCCNS(=O)(=O)c1ccccc1Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N,CCOCCCNS(=O)(=O)c1ccccc1Oc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N,"InChI=1/C25H24N2O7S/c1-2-33-13-7-12-27-35(31,32)20-11-6-5-10-18(20)34-19-14-17(28)21-22(23(19)26)25(30)16-9-4-3-8-15(16)24(21)29/h3-6,8-11,14,27-28H,2,7,12-13,26H2,1H3",C25H24N2O7S,,,,,,OHJAMHRPMBGDEC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.833,286-747-5,85371-63-7,Oxybis(methylethylene) diacetoacetate,oxybis(methylethylene) diacetoacetate,CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=C)OC(=C)C,CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=C)OC(=C)C,"InChI=1/C6H10O.2C4H6O3/c1-5(2)7-6(3)4;2*1-3(5)2-4(6)7/h1,3H2,2,4H3;2*2H2,1H3,(H,6,7)/p-2",C14H22O7,,,,,,WYQJDBIVUFRQGC-UHFFFAOYSA-L,,,,,,,,,,,
100.078.841,286-755-9,85391-03-3,Benzyldimethyl[3-(triethoxysilyl)propyl]ammonium chloride,"N-benzyl-N,N-dimethyl-3-(triethoxysilyl)propan-1-aminium chloride",[Cl-].CCO[Si](CCC[N+](C)(C)Cc1ccccc1)(OCC)OCC,[Cl-].CCO[Si](CCC[N+](C)(C)Cc1ccccc1)(OCC)OCC,"InChI=1/C18H34NO3Si.ClH/c1-6-20-23(21-7-2,22-8-3)16-12-15-19(4,5)17-18-13-10-9-11-14-18;/h9-11,13-14H,6-8,12,15-17H2,1-5H3;1H/q+1;/p-1",C18H34NO3Si.Cl,,,,,,VAMPBYNCRJPDFD-UHFFFAOYSA-M,,,,,,,,,,,
100.089.812,298-840-8,93839-69-1,2-chloro-N-methyl-6-nitrobenzylamine monohydrochloride,1-(2-chloro-6-nitrophenyl)-N-methylmethanamine hydrochloride,Cl.CNCc1c(Cl)cccc1[N+](=O)[O-],Cl.CNCc1c(Cl)cccc1[N+](=O)[O-],"InChI=1/C8H9ClN2O2.ClH/c1-10-5-6-7(9)3-2-4-8(6)11(12)13;/h2-4,10H,5H2,1H3;1H",C8H9ClN2O2.ClH,,,,,,IVCUINMPRWYMNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.813,298-841-3,93839-70-4,4-[(2-aminobenzyl)amino]cyclohexan-1-ol,4-[(2-aminobenzyl)amino]cyclohexanol,Nc1ccccc1CNC2CCC(O)CC2,Nc1ccccc1CNC2CCC(O)CC2,"InChI=1/C13H20N2O/c14-13-4-2-1-3-10(13)9-15-11-5-7-12(16)8-6-11/h1-4,11-12,15-16H,5-9,14H2",C13H20N2O,,,,,,UERRZQCPQRIPHN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.693,300-907-4,93964-62-6,"Trisodium hydrogen 5-[[4'-[[8-[[2,4-dihydroxy-3-[(2-methoxy-5-sulphonatophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate","trisodium hydrogen 5-[(4'-{[8-({2,4-dihydroxy-3-[(2-methoxy-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}-3,3'-dimethoxybiphenyl-4-yl)diazenyl]-2-hydroxybenzoate",[H+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S([O-])(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S([O-])(=O)=O)c5O)S([O-])(=O)=O)c(OC)c7,[H+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S([O-])(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S([O-])(=O)=O)c5O)S([O-])(=O)=O)c(OC)c7,"InChI=1/C44H34N8O18S3.3Na.H2/c1-68-35-13-7-25(71(59,60)61)19-31(35)49-51-40-34(54)12-10-30(42(40)55)48-50-32-20-26(72(62,63)64)14-23-17-38(73(65,66)67)41(43(56)39(23)32)52-47-29-9-5-22(16-37(29)70-3)21-4-8-28(36(15-21)69-2)46-45-24-6-11-33(53)27(18-24)44(57)58;;;;/h4-20,53-56H,1-3H3,(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;1H/q;4*+1/p-4",C44H34N8O18S3.3Na,,,,,,AAIVCTRCLFYLHS-UHFFFAOYSA-K,,,,,,,,,,,
100.062.889,269-199-1,68189-43-5,"ß,ß'-dihydroxypiperazine-1,4-dipropanesulphonic acid","3,3'-piperazine-1,4-diylbis(2-hydroxypropane-1-sulfonic acid)",OC(CN1CCN(CC(O)CS(=O)(=O)O)CC1)CS(=O)(=O)O,OC(CN1CCN(CC(O)CS(=O)(=O)O)CC1)CS(=O)(=O)O,"InChI=1/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)",C10H22N2O8S2,,,,,,LVQFQZZGTZFUNF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.891,269-201-0,68189-46-8,"Propionic acid, compound with N-[3-(tetradecyloxy)propyl]propane-1,3-diamine","propanoic acid - N-[3-(tetradecyloxy)propyl]propane-1,3-diamine (1:1)",CCCCCCCCCCCCCCOCCCNCCCN.CCC(=O)O,CCCCCCCCCCCCCCOCCCNCCCN.CCC(=O)O,"InChI=1/C20H44N2O.C3H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21;1-2-3(4)5/h22H,2-21H2,1H3;2H2,1H3,(H,4,5)",C20H44N2O.xC3H6O2,,,,,,PWVXSCFHRAKKIF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.903,269-214-1,68201-37-6,"Octadecanoic acid, branched and linear",11-ethyl-5-methylpentadecanoic acid,CCCCC(CC)CCCCCC(C)CCCC(=O)O,CCCCC(CC)CCCCCC(C)CCCC(=O)O,"InChI=1/C18H36O2/c1-4-6-13-17(5-2)14-9-7-8-11-16(3)12-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11427,https://echa.europa.eu/substance-information/-/substanceinfo/100.062.903,DYGIZCLLGGJWQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.377,273-037-5,68929-05-5,"3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid dihydrochloride","3,3'-(3,7,12,17-tetramethylporphine-2,18-diyl)dipropanoic acid dihydrochloride",Cl.Cl.CC1=CC2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3)C,Cl.Cl.CC1=CC2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3)C,"InChI=1/C30H28N4O4.2ClH/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14H,5-8H2,1-4H3,(H,35,36)(H,37,38);2*1H",C30H30N4O4.2ClH,,,,,,BHKJXWNPBPBIIH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.766,300-988-6,93966-37-1,Lead bis(tricosanoate),-,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C23H46O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;;;/h2-22H2,1H3,(H,24,25);;;/q;+4;;/rC23H46O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2-22H2,1H3,(H,24,25);1H2/q;+4",C23H46O2.xPb,,,,,,FWAPEZRZBHZVPF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.142,274-980-5,70880-05-6,5-(dimethylamino)-N-[3-(triethoxysilyl)propyl]naphthalene-1-sulphonamide,5-(dimethylamino)-N-[3-(triethoxysilyl)propyl]naphthalene-1-sulfonamide,CCO[Si](CCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)(OCC)OCC,CCO[Si](CCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)(OCC)OCC,"InChI=1/C21H34N2O5SSi/c1-6-26-30(27-7-2,28-8-3)17-11-16-22-29(24,25)21-15-10-12-18-19(21)13-9-14-20(18)23(4)5/h9-10,12-15,22H,6-8,11,16-17H2,1-5H3",C21H34N2O5SSi,,,,,,AWGTUBDCLHXASR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.154,274-993-6,70892-82-9,"N,N-bis(2-hydroxyethyl)isonicotinamide","N,N-bis(2-hydroxyethyl)isonicotinamide",OCCN(CCO)C(=O)c1ccncc1,OCCN(CCO)C(=O)c1ccncc1,"InChI=1/C10H14N2O3/c13-7-5-12(6-8-14)10(15)9-1-3-11-4-2-9/h1-4,13-14H,5-8H2",C10H14N2O3,,,,,,MTPZSDPCKPPQCT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.162,275-001-4,70900-30-0,5-acetamido-3-amino-2-methoxybenzenesulphonic acid,5-acetamido-3-amino-2-methoxybenzenesulfonic acid,COc1c(N)cc(NC(=O)C)cc1S(=O)(=O)O,COc1c(N)cc(NC(=O)C)cc1S(=O)(=O)O,"InChI=1/C9H12N2O5S/c1-5(12)11-6-3-7(10)9(16-2)8(4-6)17(13,14)15/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14,15)",C9H12N2O5S,,,,,,IGLOCMMNXMYDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.945,269-260-2,68213-75-2,"Dipentyl hydrogen phosphate, compound with morpholine (1:1)",dipentyl hydrogen phosphate - morpholine (1:1),CCCCCOP(=O)(O)OCCCCC.C1COCCN1,CCCCCOP(=O)(O)OCCCCC.C1COCCN1,"InChI=1/C10H23O4P.C4H9NO/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;1-3-6-4-2-5-1/h3-10H2,1-2H3,(H,11,12);5H,1-4H2",C10H23O4P.C4H9NO,,,,,,RWYDFXPCXJMPJY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.949,269-264-4,68213-79-6,"Phenol, compound with 1,1',1''-nitrilotris[propan-2-ol] (1:1)","1,1',1''-nitrilotripropan-2-ol - phenol (1:1)",CC(O)CN(CC(C)O)CC(C)O.Oc1ccccc1,CC(O)CN(CC(C)O)CC(C)O.Oc1ccccc1,"InChI=1/C9H21NO3.C6H6O/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-6-4-2-1-3-5-6/h7-9,11-13H,4-6H2,1-3H3;1-5,7H",C9H21NO3.C6H6O,,,,,,ZMXIHDNKGZUANT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.952,269-268-6,68213-85-4,"4-allyl-2,a-dimethoxyphenetole",4-allyl-2-methoxy-1-(1-methoxyethoxy)benzene,COC(C)Oc1ccc(CC=C)cc1OC,COC(C)Oc1ccc(CC=C)cc1OC,"InChI=1/C13H18O3/c1-5-6-11-7-8-12(13(9-11)15-4)16-10(2)14-3/h5,7-10H,1,6H2,2-4H3",C13H18O3,,,,,,MXSPXFPSWIKNOY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.957,269-273-3,68213-90-1,4-[[4-[(benzyl)ethylamino]phenyl]azo]-3-chlorobenzenesulphonic acid,4-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-3-chlorobenzenesulfonic acid,Clc3cc(ccc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)S(O)(=O)=O,Clc3cc(ccc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)S(O)(=O)=O,"InChI=1/C21H20ClN3O3S/c1-2-25(15-16-6-4-3-5-7-16)18-10-8-17(9-11-18)23-24-21-13-12-19(14-20(21)22)29(26,27)28/h3-14H,2,15H2,1H3,(H,26,27,28)",C21H20ClN3O3S,,,,,,WMSKOATWQHRPJI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.776,300-999-6,93966-47-3,"Undecanoic acid, compound with morpholine (1:1)",undecanoic acid - morpholine (1:1),CCCCCCCCCCC(=O)O.C1COCCN1,CCCCCCCCCCC(=O)O.C1COCCN1,"InChI=1/C11H22O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3-6-4-2-5-1/h2-10H2,1H3,(H,12,13);5H,1-4H2",C11H22O2.C4H9NO,,,,,,AGENZCFMLQQPKK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.189,273-928-9,69227-26-5,N-benzylidene-3-(triethoxysilyl)propylamine,N-benzylidene-3-(triethoxysilyl)propan-1-amine,CCO[Si](OCC)(OCC)CCCN=Cc1ccccc1,CCO[Si](OCC)(OCC)CCCN=Cc1ccccc1,"InChI=1/C16H27NO3Si/c1-4-18-21(19-5-2,20-6-3)14-10-13-17-15-16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3",C16H27NO3Si,,,,,,CDRHUURBSOCCDK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.194,273-934-1,69246-00-0,"2-methyl-2-phenethyl-1,3-dioxolane","2-methyl-2-(2-phenylethyl)-1,3-dioxolane",CC1(CCc2ccccc2)OCCO1,CC1(CCc2ccccc2)OCCO1,"InChI=1/C12H16O2/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3",C12H16O2,,,,,,OJOLQQYGVSXYOP-UHFFFAOYSA-N,,,,,,,,,,,
100.067.198,273-938-3,69257-04-1,"(8a,9R)-1-benzyl-9-hydroxycinchonanium chloride",1-benzylcinchonan-1-ium-9-ol chloride,[Cl-].O[C@@H]([C@@H]1C[C@@H]2CC[N@@+]1(Cc3ccccc3)C[C@@H]2C=C)c4ccnc5ccccc45,[Cl-].O[C@@H]([C@@H]1C[C@@H]2CC[N@@+]1(Cc3ccccc3)C[C@@H]2C=C)c4ccnc5ccccc45,"InChI=1/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1",C26H29N2O.Cl,,,,,,FCHYSBWCOKEPNQ-SPTWEYDNSA-M,,,,,,,,,,,
100.067.202,273-943-0,69275-04-3,2-octyldodecyl 2-ethylhexanoate,2-octyldodecyl 2-ethylhexanoate,CCCCCCCCCCC(CCCCCCCC)COC(=O)C(CC)CCCC,CCCCCCCCCCC(CCCCCCCC)COC(=O)C(CC)CCCC,"InChI=1/C28H56O2/c1-5-9-12-14-16-17-19-21-23-26(22-20-18-15-13-10-6-2)25-30-28(29)27(8-4)24-11-7-3/h26-27H,5-25H2,1-4H3",C28H56O2,,,,,,ITPJXPXPEXDRLG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.212,273-954-0,69284-78-2,Trimethoxy[3-(thiiranylmethoxy)propyl]silane,trimethoxy[3-(thiiran-2-ylmethoxy)propyl]silane,CO[Si](CCCOCC1CS1)(OC)OC,CO[Si](CCCOCC1CS1)(OC)OC,"InChI=1/C9H20O4SSi/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3",C9H20O4SSi,,,,,,NFHVFZMZVQOWHO-UHFFFAOYSA-N,,,,,,,,,,,
100.067.216,273-958-2,69288-03-5,"2,2-dimethyl-3-oxopropyl acrylate","2,2-dimethyl-3-oxopropyl acrylate",CC(C)(COC(=O)C=C)C=O,CC(C)(COC(=O)C=C)C=O,"InChI=1/C8H12O3/c1-4-7(10)11-6-8(2,3)5-9/h4-5H,1,6H2,2-3H3",C8H12O3,,,,,,LYHYCLGMCYPIRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.217,273-959-8,69293-65-8,"2-[[8-[(4-aminobenzoyl)amino]-1-hydroxy-3,6-disulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid","2-({8-[(4-aminobenzoyl)amino]-1-hydroxy-3,6-disulfo-2-naphthyl}diazenyl)naphthalene-1,5-disulfonic acid",Nc1ccc(cc1)C(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)c(O)c45)S(O)(=O)=O)S(O)(=O)=O,Nc1ccc(cc1)C(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)c(O)c45)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C27H20N4O14S4/c28-15-6-4-13(5-7-15)27(33)29-20-12-16(46(34,35)36)10-14-11-22(48(40,41)42)24(25(32)23(14)20)31-30-19-9-8-17-18(26(19)49(43,44)45)2-1-3-21(17)47(37,38)39/h1-12,32H,28H2,(H,29,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)",C27H20N4O14S4,,,,,,BTSDIADYRCVWNV-UHFFFAOYSA-N,,,,,,,,,,,
100.067.218,273-960-3,69300-15-8,2-methyldecanenitrile,2-methyldecanenitrile,CCCCCCCCC(C)C#N,CCCCCCCCC(C)C#N,"InChI=1/C11H21N/c1-3-4-5-6-7-8-9-11(2)10-12/h11H,3-9H2,1-2H3",C11H21N,,,,,,XPCSGXMQGQGBKU-UHFFFAOYSA-N,,,,,,,,,,,
100.067.220,273-962-4,69304-83-2,2-amino-4-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]benzenesulphonic acid,2-amino-4-{[5-chloro-6-methyl-2-(methylsulfonyl)pyrimidin-4-yl]amino}benzenesulfonic acid,Cc1nc(nc(Nc2ccc(c(N)c2)S(=O)(=O)O)c1Cl)S(=O)(=O)C,Cc1nc(nc(Nc2ccc(c(N)c2)S(=O)(=O)O)c1Cl)S(=O)(=O)C,"InChI=1/C12H13ClN4O5S2/c1-6-10(13)11(17-12(15-6)23(2,18)19)16-7-3-4-9(8(14)5-7)24(20,21)22/h3-5H,14H2,1-2H3,(H,15,16,17)(H,20,21,22)",C12H13ClN4O5S2,,,,,,YLORVPRPNSWAQK-UHFFFAOYSA-N,,,,,,,,,,,
100.067.221,273-964-5,69306-85-0,"3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate","3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl butyrate",CCCC(=O)Oc1c(OC)cc(O)c2C(=O)C(=C(Oc12)c3ccc(OC)cc3)O,CCCC(=O)Oc1c(OC)cc(O)c2C(=O)C(=C(Oc12)c3ccc(OC)cc3)O,"InChI=1/C21H20O8/c1-4-5-15(23)28-20-14(27-3)10-13(22)16-17(24)18(25)19(29-21(16)20)11-6-8-12(26-2)9-7-11/h6-10,22,25H,4-5H2,1-3H3",C21H20O8,,,,,,ZRKHWLRSNPTLPH-UHFFFAOYSA-N,,,,,,,,,,,
100.067.226,273-969-2,69340-48-3,Methyl N-methyl-2-nitrothioimidoacetate,methyl N-methyl-2-(nitrosulfanyl)ethanimidoate,CN=C(OC)CS[N+](=O)[O-],CN=C(OC)CS[N+](=O)[O-],"InChI=1/C4H8N2O3S/c1-5-4(9-2)3-10-6(7)8/h3H2,1-2H3",C4H8N2O2S,,,,,,WRGWFTDVTRWAOR-UHFFFAOYSA-N,,,,,,,,,,,
100.067.228,273-971-3,69343-05-1,"5-(2-anilinovinyl)-1-ethyl-3,4-dihydro-2H-pyrrolium iodide","5-(2-anilinovinyl)-1-ethyl-3,4-dihydro-2H-pyrrolium iodide",[I-].CC[N+]1=C(CCC1)\\C=C\\Nc2ccccc2,[I-].CC[N+]1=C(CCC1)\C=C\Nc2ccccc2,"InChI=1/C14H18N2.HI/c1-2-16-12-6-9-14(16)10-11-15-13-7-4-3-5-8-13;/h3-5,7-8,10-11H,2,6,9,12H2,1H3;1H",C14H19N2.I,,,,,,XISJNWVCRYHRFY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.031,268-254-7,68039-38-3,"3,7-dimethyl-6-octenyl 2-butenoate","3,7-dimethyloct-6-en-1-yl but-2-enoate",C/C(C)=C\\CCC(C)CCOC(=O)C=CC,C/C(C)=C\CCC(C)CCOC(=O)C=CC,"InChI=1/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,13H,6,9-11H2,1-4H3",C14H24O2,,,,,,MYGZJMACIRJNPL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.034,268-257-3,68039-41-8,"3,6-dihydro-4,6-dimethyl-2-phenyl-2H-pyran","4,6-dimethyl-2-phenyl-3,6-dihydro-2H-pyran",CC1OC(CC(=C1)C)c2ccccc2,CC1OC(CC(=C1)C)c2ccccc2,"InChI=1/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-8,11,13H,9H2,1-2H3",C13H16O,,,,,,SQVJYNSGAXORSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.037,268-261-5,68039-45-2,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl pivalate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl pivalate",CC(C)(C)C(=O)OC1CC2CC1C3C=CCC23,CC(C)(C)C(=O)OC1CC2CC1C3C=CCC23,"InChI=1/C15H22O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h4,6,9-13H,5,7-8H2,1-3H3",C15H22O2,,,,,,SARNDXMIYRKJOG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.038,268-262-0,68039-47-4,[2-isopropoxyethyl]benzene,(2-isopropoxyethyl)benzene,CC(C)OCCc1ccccc1,CC(C)OCCc1ccccc1,"InChI=1/C11H16O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",C11H16O,,,,,,FMPXLXBVYDFXIC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.650,276-639-6,72402-00-7,"3-isopropenyl-1,2-dimethylcyclopentan-1-ol","3-isopropenyl-1,2-dimethylcyclopentanol",CC1C(CCC1(C)O)C(=C)C,CC1C(CCC1(C)O)C(=C)C,"InChI=1/C10H18O/c1-7(2)9-5-6-10(4,11)8(9)3/h8-9,11H,1,5-6H2,2-4H3",C10H18O,,,,,,ZRVPDCMGGOSDKG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.662,276-652-7,72406-94-1,cis-3-chlorodihydro-3-methyl-5-phenylfuran-2(3H)-one,3-chloro-3-methyl-5-phenyldihydrofuran-2(3H)-one,C[C@]1(Cl)C[C@H](OC1=O)c2ccccc2,C[C@]1(Cl)C[C@H](OC1=O)c2ccccc2,"InChI=1/C11H11ClO2/c1-11(12)7-9(14-10(11)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",C11H11ClO2,,,,,,IVPWPXOKZYCQNZ-ONGXEEELSA-N,,,,,,,,,,,
100.069.663,276-653-2,72406-97-4,"3,3-dichlorohexahydro-3H-benzofuran-2-one","3,3-dichlorohexahydro-1-benzofuran-2(3H)-one",ClC1(Cl)C2CCCCC2OC1=O,ClC1(Cl)C2CCCCC2OC1=O,"InChI=1/C8H10Cl2O2/c9-8(10)5-3-1-2-4-6(5)12-7(8)11/h5-6H,1-4H2",C8H10Cl2O2,,,,,,HZOSGSRPCDQQKW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.671,276-662-1,72433-38-6,2-[(4-chlorophenyl)thio]benzonitrile,2-[(4-chlorophenyl)sulfanyl]benzonitrile,Clc1ccc(Sc2ccccc2C#N)cc1,Clc1ccc(Sc2ccccc2C#N)cc1,InChI=1/C13H8ClNS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8H,C13H8ClNS,,,,,,XQMIYDPLOZBCMD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.673,276-664-2,72442-37-6,1-methyl-5-oxo-DL-proline,1-methyl-5-oxo-L-proline,CN1[C@@H](CCC1=O)C(=O)O,CN1[C@@H](CCC1=O)C(=O)O,"InChI=1/C6H9NO3/c1-7-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,9,10)",C6H9NO3,,,,,,SHLYZEAOVWVTSW-BYPYZUCNSA-N,,,,,,,,,,,
100.069.679,276-671-0,72461-86-0,Disodium carbamoyl phosphate,disodium carbamoyl phosphate,[Na+].[Na+].NC(=O)OP(=O)([O-])[O-],[Na+].[Na+].NC(=O)OP(=O)([O-])[O-],"InChI=1/CH4NO5P.2Na/c2-1(3)7-8(4,5)6;;/h(H2,2,3)(H2,4,5,6);;/q;2*+1/p-2",CH4NO5P.2Na,,,,,,ZZRCKSSPGJOTEE-UHFFFAOYSA-L,,,,,,,,,,,
100.088.433,297-321-3,93446-30-1,1-ethyl-3-methyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxoimidazolidin-4-one,1-ethyl-3-methyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxoimidazolidin-4-one,CN2CCCC2=CC=C1C(=O)N(C)C(=S)N1CC,CN2CCCC2=CC=C1C(=O)N(C)C(=S)N1CC,"InChI=1/C13H19N3OS/c1-4-16-11(12(17)15(3)13(16)18)8-7-10-6-5-9-14(10)2/h7-8H,4-6,9H2,1-3H3",C13H19N3OS,,,,,,DNZQZGXRHDMGGN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.055,268-280-9,68039-73-6,"[1,1'-bicyclopentyl]-2-yl 2-butenoate","1,1'-bi(cyclopentyl)-2-yl but-2-enoate",O=C(OC2CCCC2C1CCCC1)C=CC,O=C(OC2CCCC2C1CCCC1)C=CC,"InChI=1/C14H22O2/c1-2-6-14(15)16-13-10-5-9-12(13)11-7-3-4-8-11/h2,6,11-13H,3-5,7-10H2,1H3",C14H22O2,,,,,,IBCFURUUOKXNFW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.063,268-289-8,68047-38-1,"2-(3-fluorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole","2-(3-fluorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole",Fc1cccc(c1)c2oc(nn2)c3cccc4ccccc34,Fc1cccc(c1)c2oc(nn2)c3cccc4ccccc34,InChI=1/C18H11FN2O/c19-14-8-3-7-13(11-14)17-20-21-18(22-17)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,C18H11FN2O,,,,,,JCBNEHLERQLNAO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.066,268-292-4,68047-41-6,"2-(3-bromophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole","2-(3-bromophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole",Brc1cccc(c1)c2oc(nn2)c3ccc4ccccc4c3,Brc1cccc(c1)c2oc(nn2)c3ccc4ccccc4c3,InChI=1/C18H11BrN2O/c19-16-7-3-6-14(11-16)17-20-21-18(22-17)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,C18H11BrN2O,,,,,,IGQXJSGMCQCEQO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.071,268-298-7,68052-05-1,"Phosphoric acid, calcium magnesium zinc salt",-,[Mg+2].[Ca+2].[Zn+2].[O-]P(=O)([O-])[O-],[Mg+2].[Ca+2].[Zn+2].[O-]P(=O)([O-])[O-],"InChI=1/Ca.Mg.H3O4P.Zn/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);/q2*+2;;+2/p-3",Ca.xH3O4P.xMg.xZn,,,,,,UYIPPRMENLKSKD-UHFFFAOYSA-K,,,,,,,,,,,
100.062.076,268-303-2,68052-10-8,"1,4-dibutoxy-2-chlorobenzene","1,4-dibutoxy-2-chlorobenzene",CCCCOc1ccc(OCCCC)c(Cl)c1,CCCCOc1ccc(OCCCC)c(Cl)c1,"InChI=1/C14H21ClO2/c1-3-5-9-16-12-7-8-14(13(15)11-12)17-10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3",C14H21ClO2,,,,,,YXZPUUPBQVIBTL-UHFFFAOYSA-N,,,,,,,,,,,
100.091.695,300-910-0,93964-64-8,"Trisodium 5-[[4'-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate","trisodium 5-({4'-[(8-amino-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)c(OC)c5,[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)c(OC)c5,"InChI=1/C31H25N5O12S2.3Na/c1-47-25-10-15(3-6-22(25)34-33-18-5-8-24(37)20(13-18)31(39)40)16-4-7-23(26(11-16)48-2)35-36-29-27(50(44,45)46)12-17-9-19(49(41,42)43)14-21(32)28(17)30(29)38;;;/h3-14,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3",C31H25N5O12S2.3Na,,,,,,PRXZWARDJLFFNO-UHFFFAOYSA-K,,,,,,,,,,,
100.091.698,300-913-7,93964-67-1,"Tetrasodium dihydrogen anthracene-1,4,5,8,9,10-hexolate","tetrasodium dihydrogen anthracene-1,4,5,8,9,10-hexolate",[Na+].[Na+].[Na+].[Na+].[O-]c1ccc([O-])c2c([O-])c3c([O-])ccc([O-])c3c([O-])c12,[Na+].[Na+].[Na+].[Na+].[O-]c1ccc([O-])c2c([O-])c3c([O-])ccc([O-])c3c([O-])c12,"InChI=1/C14H10O6.4Na/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20;;;;/h1-4,15-20H;;;;/q;4*+1/p-6",C14H10O6.4Na,,,,,,QDJIQFLYDMUMAG-UHFFFAOYSA-H,,,,,,,,,,,
100.091.702,300-917-9,93964-71-7,N-[(benzyloxy)carbonyl]-L-alanine succinic anhydride,"N-[(benzyloxy)carbonyl]-D-alanine - dihydrofuran-2,5-dione (1:1)",C[C@H](NC(=O)OCc1ccccc1)C(=O)O.O=C2CCC(=O)O2,C[C@H](NC(=O)OCc1ccccc1)C(=O)O.O=C2CCC(=O)O2,"InChI=1/C11H13NO4.C4H4O3/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9;5-3-1-2-4(6)7-3/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14);1-2H2",C15H17NO7,,,,,,SKMWRJWXDYRWIN-QRPNPIFTSA-N,,,,,,,,,,,
100.091.712,300-928-9,93964-81-9,Octahydropentalenyl isobutyrate,octahydropentalen-1-yl 2-methylpropanoate,CC(C)C(=O)OC1CCC2CCCC12,CC(C)C(=O)OC1CCC2CCCC12,"InChI=1/C12H20O2/c1-8(2)12(13)14-11-7-6-9-4-3-5-10(9)11/h8-11H,3-7H2,1-2H3",C12H20O2,,,,,,GSLWKPBSLJVOJM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.715,300-932-0,93964-84-2,Octahydropentalenyl formate,octahydropentalen-1-yl formate,O=COC1CCC2CCCC12,O=COC1CCC2CCCC12,"InChI=1/C9H14O2/c10-6-11-9-5-4-7-2-1-3-8(7)9/h6-9H,1-5H2",C9H14O2,,,,,,LIERIUBKWIGWPD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.716,300-933-6,93964-85-3,Octahydropentalenyl acetate,octahydropentalen-1-yl acetate,CC(=O)OC1CCC2CCCC12,CC(=O)OC1CCC2CCCC12,"InChI=1/C10H16O2/c1-7(11)12-10-6-5-8-3-2-4-9(8)10/h8-10H,2-6H2,1H3",C10H16O2,,,,,,IKLDZMFNXHKBOL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.864,286-781-0,85391-27-1,"1-decylimidazolidine-2,4-dione","1-decylimidazolidine-2,4-dione",CCCCCCCCCCN1CC(=O)NC1=O,CCCCCCCCCCN1CC(=O)NC1=O,"InChI=1/C13H24N2O2/c1-2-3-4-5-6-7-8-9-10-15-11-12(16)14-13(15)17/h2-11H2,1H3,(H,14,16,17)",C13H24N2O2,,,,,,HRKFLPRNEULGNH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.873,286-791-5,85391-37-3,"Hexapotassium 7,14-dihydronaphth(2',3':5,6]indolo[2,3-c]dinaphtho[2,3-a:2',3'-h]carbazole-5,8,13,16,21,24-hexyl hexasulphate","hexapotassium dinaphtho[2,3-a:2',3'-h]naphtho[2',3':5,6]indolo[2,3-c]carbazole-5,8,13,16,21,24-hexayl hexasulfate",[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)Oc1c2C3=Nc4cc5c(OS(=O)(=O)[O-])c6ccccc6c(OS(=O)(=O)[O-])c5cc4C3=C7C(=Nc8cc9c(OS(=O)(=O)[O-])c%10ccccc%10c(OS(=O)(=O)[O-])c9cc78)c2c(OS(=O)(=O)[O-])c%11ccccc1%11,[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)Oc1c2C3=Nc4cc5c(OS(=O)(=O)[O-])c6ccccc6c(OS(=O)(=O)[O-])c5cc4C3=C7C(=Nc8cc9c(OS(=O)(=O)[O-])c%10ccccc%10c(OS(=O)(=O)[O-])c9cc78)c2c(OS(=O)(=O)[O-])c%11ccccc1%11,"InChI=1/C42H22N2O24S6.6K/c45-69(46,47)63-37-17-7-1-3-9-19(17)39(65-71(51,52)53)25-15-29-27(13-23(25)37)31-32-28-14-24-26(40(66-72(54,55)56)20-10-4-2-8-18(20)38(24)64-70(48,49)50)16-30(28)44-36(32)34-33(35(31)43-29)41(67-73(57,58)59)21-11-5-6-12-22(21)42(34)68-74(60,61)62;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6",C42H24N2O24S6.6K,,,,,,OCUHCNSJMXGBTL-UHFFFAOYSA-H,,,,,,,,,,,
100.078.874,286-792-0,85391-38-4,"Hexapotassium 6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexyl hexasulphate","hexapotassium dinaphtho[2,3-i:2,3-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexayl hexasulfate",[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)OC1=C2C(=CC=C3C2=Nc4c3ccc5c(OS(=O)(=O)[O-])c6ccccc6c(OS(=O)(=O)[O-])c45)C(=C7C1=CC=C8C7=Nc9c8ccc%10c(OS(=O)(=O)[O-])c%11ccccc%11c(OS(=O)(=O)[O-])c9%10)OS(=O)(=O)[O-],[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)OC1=C2C(=CC=C3C2=Nc4c3ccc5c(OS(=O)(=O)[O-])c6ccccc6c(OS(=O)(=O)[O-])c45)C(=C7C1=CC=C8C7=Nc9c8ccc%10c(OS(=O)(=O)[O-])c%11ccccc%11c(OS(=O)(=O)[O-])c9%10)OS(=O)(=O)[O-],"InChI=1/C42H22N2O24S6.6K/c45-69(46,47)63-37-21-5-1-3-7-23(21)39(65-71(51,52)53)29-25(37)13-9-17-19-11-15-27-31(35(19)43-33(17)29)41(67-73(57,58)59)28-16-12-20-18-10-14-26-30(34(18)44-36(20)32(28)42(27)68-74(60,61)62)40(66-72(54,55)56)24-8-4-2-6-22(24)38(26)64-70(48,49)50;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6",C42H24N2O24S6.6K,,,,,,WFUNJGWNDUCIJB-UHFFFAOYSA-H,,,,,,,,,,,
100.078.878,286-796-2,85391-42-0,"Trisodium 3-[(2-chloro-4-nitrophenyl)azo]-5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 3-[(2-chloro-4-nitrophenyl)diazenyl]-5-{[2,4-dihydroxy-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc6cc(ccc6N=Nc5c(cc4cc(cc(N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(O)cc3O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].[Na+].[Na+].Clc6cc(ccc6N=Nc5c(cc4cc(cc(N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(O)cc3O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C34H22ClN9O16S3.3Na/c35-22-11-19(43(48)49)5-7-23(22)38-42-33-31(63(58,59)60)10-16-9-21(61(52,53)54)13-27(32(16)34(33)47)41-40-26-14-25(28(45)15-29(26)46)39-37-18-3-1-17(2-4-18)36-24-8-6-20(44(50)51)12-30(24)62(55,56)57;;;/h1-15,36,45-47H,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3",C34H22ClN9O16S3.3Na,,,,,,BRWNZTIAGONBGF-UHFFFAOYSA-K,,,,,,,,,,,
100.091.777,301-000-6,93966-48-4,"Undecanoic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)",undecanoic acid - 2-amino-2-methylpropan-1-ol (1:1),CCCCCCCCCCC(=O)O.CC(C)(N)CO,CCCCCCCCCCC(=O)O.CC(C)(N)CO,"InChI=1/C11H22O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-4(2,5)3-6/h2-10H2,1H3,(H,12,13);6H,3,5H2,1-2H3",C11H22O2.C4H11NO,,,,,,MDUQTNIJSFJASR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.781,301-004-8,93966-52-0,"Formic acid, compound with [2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]ethyl]dimethylamine (1:1)","formic acid - 2-[2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-N,N-dimethylethanamine (1:1)",CN(C)CCOCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O,CN(C)CCOCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O,"InChI=1/C21H26ClN3O3S.CH2O2/c1-24(2)13-14-28-15-16-29(26,27)20-9-7-19(8-10-20)25-12-11-21(23-25)17-3-5-18(22)6-4-17;2-1-3/h3-10H,11-16H2,1-2H3;1H,(H,2,3)",C21H26ClN3O3S.CH2O2,,,,,,IDBCGDXVDSEEAH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.804,301-029-4,93966-76-8,Strontium pentadecanoate,strontium dipentadecanoate,[Sr+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C15H30O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2",C15H30O2.1/2Sr,,,,,,LKOJTCCIJYAVOR-UHFFFAOYSA-L,,,,,,,,,,,
100.068.168,275-008-2,70900-38-8,2-[[[[2-methyl-5-[[[4-[methyl[(nonafluorobutyl)sulphonyl]amino]butoxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]propyl methacrylate,2-{[(2-methyl-5-{[(4-{methyl[(nonafluorobutyl)sulfonyl]amino}butoxy)carbonyl]amino}phenyl)carbamoyl]oxy}propyl methacrylate,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,CC(COC(=O)C(=C)C)OC(=O)Nc1cc(NC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C,"InChI=1/C25H30F9N3O8S/c1-14(2)19(38)44-13-16(4)45-21(40)36-18-12-17(9-8-15(18)3)35-20(39)43-11-7-6-10-37(5)46(41,42)25(33,34)23(28,29)22(26,27)24(30,31)32/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,35,39)(H,36,40)",C25H30F9N3O8S,,,,,,XQSZCZOJXPNZGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.173,275-014-5,70904-60-8,Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate,disodium 4-(octadec-9-en-1-ylamino)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCC\\C=C/CCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCC\C=C/CCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2",C22H41NO6S.2Na,,,,,,PLHAFYWVSVUQCQ-XXAVUKJNSA-L,,,,,,,,,,,
100.068.188,275-030-2,70938-05-5,Tetradecyl acetoacetate,tetradecyl 3-oxobutanoate,CCCCCCCCCCCCCCOC(=O)CC(=O)C,CCCCCCCCCCCCCCOC(=O)CC(=O)C,"InChI=1/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-18(20)16-17(2)19/h3-16H2,1-2H3",C18H34O3,,,,,,FUCMCKCYPNPVSS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.189,275-031-8,70942-01-7,"Potassium sodium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","potassium sodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[K+].OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[K+].OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C40H44N12O10S2.K.Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2",C40H44N12O10S2.xK.xNa,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5918,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.189,BOFQFAVPCLYEPB-YHPRVSEPSA-L,,,,,,,,,,,
100.068.193,275-036-5,70942-28-8,"Dimethyl 11-[[2-[(6-methoxy-1,6-dioxohexyl)oxy]ethyl]thio]-11-methyl-6,16-dioxo-7,15-dioxa-10,12-dithia-11-stannahenicosanedioate","dimethyl 11-({2-[(6-methoxy-6-oxohexanoyl)oxy]ethyl}sulfanyl)-11-methyl-6,16-dioxo-7,15-dioxa-10,12-dithia-11-stannahenicosane-1,21-dioate",COC(=O)CCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCC(=O)OC)SCCOC(=O)CCCCC(=O)OC,COC(=O)CCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCC(=O)OC)SCCOC(=O)CCCCC(=O)OC,"InChI=1/3C9H16O4S.CH3.Sn/c3*1-12-8(10)4-2-3-5-9(11)13-6-7-14;;/h3*14H,2-7H2,1H3;1H3;/q;;;;+3/p-3/rC28H48O12S3Sn/c1-35-23(29)11-5-8-14-26(32)38-17-20-41-44(4,42-21-18-39-27(33)15-9-6-12-24(30)36-2)43-22-19-40-28(34)16-10-7-13-25(31)37-3/h5-22H2,1-4H3",C28H48O12S3Sn,,,,,,FZGACYJTFRRBMX-UHFFFAOYSA-K,,,,,,,,,,,
100.068.202,275-045-4,70942-40-4,"2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(oxy)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2'-dioxide","2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide",CC(C)(COP1(=O)OCC(C)(C)CO1)COP2(=O)OCC(C)(C)CO2,CC(C)(COP1(=O)OCC(C)(C)CO1)COP2(=O)OCC(C)(C)CO2,"InChI=1/C15H30O8P2/c1-13(2,7-18-24(16)20-9-14(3,4)10-21-24)8-19-25(17)22-11-15(5,6)12-23-25/h7-12H2,1-6H3",C15H30O8P2,,,,,,AHJVKARLZRURJT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.641,270-026-7,68400-37-3,7-amino-4-hydroxy-3-[[4-[2-(sulphooxy)ethoxy]phenyl]azo]naphthalene-2-sulphonic acid,7-amino-4-hydroxy-3-({4-[2-(sulfooxy)ethoxy]phenyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c3cc1cc(N)ccc1c(O)c3N=Nc2ccc(OCCOS(O)(=O)=O)cc2,OS(=O)(=O)c3cc1cc(N)ccc1c(O)c3N=Nc2ccc(OCCOS(O)(=O)=O)cc2,"InChI=1/C18H17N3O9S2/c19-12-1-6-15-11(9-12)10-16(31(23,24)25)17(18(15)22)21-20-13-2-4-14(5-3-13)29-7-8-30-32(26,27)28/h1-6,9-10,22H,7-8,19H2,(H,23,24,25)(H,26,27,28)",C18H17N3O9S2,,,,,,JFTFVGALCFQTMW-UHFFFAOYSA-N,,,,,,,,,,,
100.063.645,270-030-9,68400-41-9,3-[[4-[(4-hydroxyphenyl)azo]-3-methoxyphenyl]azo]benzenesulphonic acid,3-({4-[(4-hydroxyphenyl)diazenyl]-3-methoxyphenyl}diazenyl)benzenesulfonic acid,COc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3cccc(c3)S(O)(=O)=O,COc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3cccc(c3)S(O)(=O)=O,"InChI=1/C19H16N4O5S/c1-28-19-12-15(22-21-14-3-2-4-17(11-14)29(25,26)27)7-10-18(19)23-20-13-5-8-16(24)9-6-13/h2-12,24H,1H3,(H,25,26,27)",C19H16N4O5S,,,,,,BTQOIHYBALGCDD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.650,270-036-1,68400-47-5,"1,4-diethoxy-2-[(4-methylphenyl)thio]-5-nitrobenzene","1,4-diethoxy-2-[(4-methylphenyl)sulfanyl]-5-nitrobenzene",CCOc1cc(c(OCC)cc1Sc2ccc(C)cc2)[N+](=O)[O-],CCOc1cc(c(OCC)cc1Sc2ccc(C)cc2)[N+](=O)[O-],"InChI=1/C17H19NO4S/c1-4-21-15-11-17(23-13-8-6-12(3)7-9-13)16(22-5-2)10-14(15)18(19)20/h6-11H,4-5H2,1-3H3",C17H19NO4S,,,,,,JRKVBFFPQZNRRC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.652,270-038-2,68400-49-7,"4-[2,5-bis(1-methylethoxy)-4-nitrophenyl]morpholine","4-(2,5-diisopropoxy-4-nitrophenyl)morpholine",CC(C)Oc1cc(c(OC(C)C)cc1N2CCOCC2)[N+](=O)[O-],CC(C)Oc1cc(c(OC(C)C)cc1N2CCOCC2)[N+](=O)[O-],"InChI=1/C16H24N2O5/c1-11(2)22-15-10-14(18(19)20)16(23-12(3)4)9-13(15)17-5-7-21-8-6-17/h9-12H,5-8H2,1-4H3",C16H24N2O5,,,,,,QKOQWHQAZFRCQI-UHFFFAOYSA-N,,,,,,,,,,,
100.065.381,271-940-9,68636-91-9,Ethyl L-histidinate hydrochloride,ethyl L-histidinate hydrochloride,Cl.CCOC(=O)[C@@H](N)Cc1c[nH]cn1,Cl.CCOC(=O)[C@@H](N)Cc1c[nH]cn1,"InChI=1/C8H13N3O2.ClH/c1-2-13-8(12)7(9)3-6-4-10-5-11-6;/h4-5,7H,2-3,9H2,1H3,(H,10,11);1H",C8H13N3O2.xClH,,,,,,RTJYPVRGNJNPSX-FJXQXJEOSA-N,,,,,,,,,,,
100.068.375,275-235-7,71172-61-7,4-[3-chloro-1-(1-methylethoxy)propyl]toluene,1-(3-chloro-1-isopropoxypropyl)-4-methylbenzene,CC(C)OC(CCCl)c1ccc(C)cc1,CC(C)OC(CCCl)c1ccc(C)cc1,"InChI=1/C13H19ClO/c1-10(2)15-13(8-9-14)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3",C13H19ClO,,,,,,DZTPRCOFHITSFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.378,275-238-3,71172-68-4,"a,a-dicyclopropylcyclohexylmethanol",bis(1-cyclopropylcyclohexyl)methanol,OC(C1(CCCCC1)C2CC2)C3(CCCCC3)C4CC4,OC(C1(CCCCC1)C2CC2)C3(CCCCC3)C4CC4,"InChI=1/C19H32O/c20-17(18(15-7-8-15)11-3-1-4-12-18)19(16-9-10-16)13-5-2-6-14-19/h15-17,20H,1-14H2",C13H22O,,,,,,XYXFRXJZZANRED-UHFFFAOYSA-N,,,,,,,,,,,
100.068.388,275-249-3,71173-71-2,"1,3-bis[bis[4-(dimethylamino)phenyl]methyl]urea","1,3-bis{bis[4-(dimethylamino)phenyl]methyl}urea",CN(C)c1ccc(cc1)C(NC(=O)NC(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C,CN(C)c1ccc(cc1)C(NC(=O)NC(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C,"InChI=1/C35H44N6O/c1-38(2)29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)39(3)4)36-35(42)37-34(27-13-21-31(22-14-27)40(5)6)28-15-23-32(24-16-28)41(7)8/h9-24,33-34H,1-8H3,(H2,36,37,42)",C35H44N6O,,,,,,ONHAAEYDHJUYKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.399,275-261-9,71208-54-3,"Diethyl (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methylmalonate","diethyl (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)(methyl)malonate",CCOC(=O)C(C)(C1CCc2c(C1)[nH]c3ccc(Cl)cc23)C(=O)OCC,CCOC(=O)C(C)(C1CCc2c(C1)[nH]c3ccc(Cl)cc23)C(=O)OCC,"InChI=1/C20H24ClNO4/c1-4-25-18(23)20(3,19(24)26-5-2)12-6-8-14-15-11-13(21)7-9-16(15)22-17(14)10-12/h7,9,11-12,22H,4-6,8,10H2,1-3H3",C20H24ClNO4,,,,,,XWJZVIIPTMHYNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.402,275-265-0,71209-71-7,4'-(tert-butyl)propiophenone,1-(4-tert-butylphenyl)propan-1-one,CCC(=O)c1ccc(cc1)C(C)(C)C,CCC(=O)c1ccc(cc1)C(C)(C)C,"InChI=1/C13H18O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3",C13H18O,,,,,,AQNYEAINONORRY-UHFFFAOYSA-N,,,,,,,,,,,
100.067.231,273-975-5,69365-97-5,"(E,E)-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-2,4-pentadienyl]triphenylphosphonium chloride","[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-2,4-dien-1-yl](triphenyl)phosphonium chloride",[Cl-].COc1cc(C)c(C=C\\C(=C\\C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)\\C)c(C)c1C,[Cl-].COc1cc(C)c(C=C\C(=C\C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)\C)c(C)c1C,"InChI=1/C34H36OP.ClH/c1-26(21-22-33-27(2)25-34(35-5)29(4)28(33)3)23-24-36(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32;/h6-23,25H,24H2,1-5H3;1H/q+1;/p-1",C34H36OP.Cl,,,,,,IWWUBWJZVZKCOG-NBXYOHPUSA-M,,,,,,,,,,,
100.067.239,273-983-9,69385-30-4,"2,6-difluorobenzylamine","1-(2,6-difluorophenyl)methanamine",NCc1c(F)cccc1F,NCc1c(F)cccc1F,"InChI=1/C7H7F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2",C7H7F2N,,,,,,PQCUDKMMPTXMAL-UHFFFAOYSA-N,,,,,,,,,,,
100.067.241,273-986-5,69389-05-5,"Sodium 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarbodithioate","sodium 4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbodithioate",[Na+].Cc1nsc(n1)N2CCN(CC2)C(=S)[S-],[Na+].Cc1nsc(n1)N2CCN(CC2)C(=S)[S-],"InChI=1/C8H12N4S3.Na/c1-6-9-7(15-10-6)11-2-4-12(5-3-11)8(13)14;/h2-5H2,1H3,(H,13,14);/q;+1/p-1",C8H12N4S3.Na,,,,,,JCLQYCSHSFILAG-UHFFFAOYSA-M,,,,,,,,,,,
100.069.004,275-927-9,71735-16-5,"1,2,3,4-tetrahydromethoxynaphthalene","1-methoxy-1,2,3,4-tetrahydronaphthalene",COC1CCCc2ccccc12,COC1CCCc2ccccc12,"InChI=1/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3",C11H14O,,,,,,IBRIMMDNSPFZMB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.077,268-304-8,68052-11-9,"2,5-diethoxy-4-(pyrrolidin-1-yl)benzenediazonium tetrafluoroborate","2,5-diethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate",CCOc1cc(N2CCCC2)c(OCC)cc1[N+]#N.F[B-](F)(F)F,CCOc1cc(N2CCCC2)c(OCC)cc1[N+]#N.F[B-](F)(F)F,"InChI=1/C14H20N3O2.BF4/c1-3-18-13-10-12(17-7-5-6-8-17)14(19-4-2)9-11(13)16-15;2-1(3,4)5/h9-10H,3-8H2,1-2H3;/q+1;-1",C14H20N3O2.BF4,,,,,,WQHVNJMUTDYLEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.078,268-305-3,68052-12-0,"N-(2,5-diethoxy-4-nitrophenyl)-N-ethylacetamide","N-(2,5-diethoxy-4-nitrophenyl)-N-ethylacetamide",CCOc1cc(c(OCC)cc1N(CC)C(=O)C)[N+](=O)[O-],CCOc1cc(c(OCC)cc1N(CC)C(=O)C)[N+](=O)[O-],"InChI=1/C14H20N2O5/c1-5-15(10(4)17)11-8-14(21-7-3)12(16(18)19)9-13(11)20-6-2/h8-9H,5-7H2,1-4H3",C14H20N2O5,,,,,,UJTFFMKKJCRDAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.080,268-307-4,68052-14-2,"1,4-dibutoxy-2,5-dichlorobenzene","1,4-dibutoxy-2,5-dichlorobenzene",CCCCOc1cc(Cl)c(OCCCC)cc1Cl,CCCCOc1cc(Cl)c(OCCCC)cc1Cl,"InChI=1/C14H20Cl2O2/c1-3-5-7-17-13-9-12(16)14(10-11(13)15)18-8-6-4-2/h9-10H,3-8H2,1-2H3",C14H20Cl2O2,,,,,,KSNRQRXMGLBIJR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.702,276-696-7,72490-01-8,Ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate,ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate,CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,"InChI=1/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)",C17H19NO4,,,,,,HJUFTIJOISQSKQ-UHFFFAOYSA-N,Positive,SM846001;EA294001|EA294002|EA294003|EA294004|EA294005|EA294006|EA294007|EA294008|EA294009|EA294010|EA294011|EA294012|EA294013|EA294014,[M+H]+;[M+H]+,HCD35;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,88.0393:116.0707:256.0969;116.0706:256.0969:88.0394|302.1386:116.0707:88.0393|88.0393:116.0707:256.0968|88.0392:116.0706:256.0967|88.0393:116.0706:70.0288|88.0394:70.0288:141.07|88.0394:115.0542:70.0288|116.0706:302.1388:88.0394|88.0394:116.0707:256.0971|88.0393:116.0706:256.0969|88.0393:116.0707:70.0288|88.0393:70.0288:129.0699|88.0393:115.0542:70.0287|116.0706:256.0969:88.0394,CASMI_2016;Eawag,,,,,
100.069.710,276-704-9,72496-92-5,"Trisodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate","trisodium 5-{[2,4-dihydroxy-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-8-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)naphthalene-1-sulfonate",[Na+].[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)N=Nc7ccc(N=Nc5ccc(Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O)cc5)c6c7cccc6S([O-])(=O)=O,[Na+].[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)N=Nc7ccc(N=Nc5ccc(Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O)cc5)c6c7cccc6S([O-])(=O)=O,"InChI=1/C40H28N10O15S3.3Na/c51-35-21-36(52)34(20-33(35)47-44-25-10-6-23(7-11-25)42-31-15-13-27(50(55)56)19-39(31)68(63,64)65)48-45-29-16-17-32(40-28(29)2-1-3-37(40)66(57,58)59)46-43-24-8-4-22(5-9-24)41-30-14-12-26(49(53)54)18-38(30)67(60,61)62;;;/h1-21,41-42,51-52H,(H,57,58,59)(H,60,61,62)(H,63,64,65);;;/q;3*+1/p-3",C40H28N10O15S3.3Na,,,,,,VEDGYUBAJVJFKL-UHFFFAOYSA-K,,,,,,,,,,,
100.069.712,276-707-5,72506-10-6,"2,4-dichloro-1-(3-chloropropyl)benzene","2,4-dichloro-1-(3-chloropropyl)benzene",ClCCCc1ccc(Cl)cc1Cl,ClCCCc1ccc(Cl)cc1Cl,"InChI=1/C9H9Cl3/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6H,1-2,5H2",C9H9Cl3,,,,,,AMGIJLLWCLDNJD-UHFFFAOYSA-N,,,,,,,,,,,
100.078.304,286-165-1,85187-77-5,"Bis[5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] sulphate","bis[5-(dimethylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium] sulfate",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.[O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C)C,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.[O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C)C,"InChI=1/2C13H19N6S.H2O4S/c2*1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-5(2,3)4/h2*6-9H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2",C13H19N6S.1/2O4S,,,,,,JYJKZYFNHUSIDY-UHFFFAOYSA-L,,,,,,,,,,,
100.078.311,286-173-5,85187-84-4,"2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-(2-{4-[(2-chloroethyl)(ethyl)amino]-2-methylphenyl}vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulfate",CCN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]S(=O)(=O)[O-],CCN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]S(=O)(=O)[O-],"InChI=1/C24H30ClN2.H2O4S/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;1-5(2,3)4/h7-14,17H,6,15-16H2,1-5H3;(H2,1,2,3,4)/q+1;/p-2",C24H30ClN2.HO4S,,,,,,XRSIKGCNQLNUKF-UHFFFAOYSA-L,,,,,,,,,,,
100.078.313,286-175-6,85187-86-6,"2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate","1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)vinyl]-3H-indolium methyl sulfate",COS(=O)(=O)[O-].CC1Cc2ccccc2N1\\C=C\\C3=[N+](C)c4ccccc4C3(C)C,COS(=O)(=O)[O-].CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C,"InChI=1/C22H25N2.CH4O4S/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5-6(2,3)4/h5-14,16H,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C22H25N2.CH3O4S,,,,,,CLIVLYVWXQCUJV-UHFFFAOYSA-M,,,,,,,,,,,
100.078.317,286-179-8,85187-90-2,[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium acetate,"2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium acetate",[O-]C(C)=O.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,[O-]C(C)=O.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C20H25N6O2.C2H4O2/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;1-2(3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C20H25N6O2.C2H3O2,,,,,,JLEIKZKTIPUTCY-UHFFFAOYSA-M,,,,,,,,,,,
100.089.841,298-872-2,93839-98-6,Lead 3-(acetamido)phthalate,lead(4+) bis(3-acetamidophthalate),[Pb+2].O=C(C)N\\C\\1=C\\C=C/C(=C/1/C([O-])=O)C([O-])=O,[Pb+2].O=C(C)N\C\1=C\C=C/C(=C/1/C([O-])=O)C([O-])=O,"InChI=1/C10H9NO5.Pb.2H/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16;;;/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16);;;/q;+4;;/p-2/rC10H9NO5.H2Pb/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16;/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16);1H2/q;+4/p-2",C10H8O6.Pb,,,,,,TYWBGOXMRBNEPS-UHFFFAOYSA-L,,,,,,,,,,,
100.089.842,298-873-8,93839-99-7,Strontium bis(2-ethylhexanolate),strontium bis(2-ethylhexan-1-olate),[Sr+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-],[Sr+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-],"InChI=1/2C8H17O.Sr/c2*1-3-5-6-8(4-2)7-9;/h2*8H,3-7H2,1-2H3;/q2*-1;+2",C8H18O.1/2Sr,,,,,,DBEHAALZRVWGCK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.845,298-876-4,93840-02-9,Tungsten hexakis(2-ethylhexanolate),tungsten hexakis(2-ethylhexanolate),[W+2].[W+2].[W+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-],[W+2].[W+2].[W+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-],"InChI=1/6C8H17O.3W/c6*1-3-5-6-8(4-2)7-9;;;/h6*8H,3-7H2,1-2H3;;;/q6*-1;3*+2",C8H18O.1/6W,,,,,,PDCGVNPZBRILCY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.846,298-878-5,93840-03-0,Tin tetra(hexanolate),tin(4+) tetrahexan-1-olate,[Sn+4].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-],[Sn+4].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-],"InChI=1/4C6H13O.Sn/c4*1-2-3-4-5-6-7;/h4*2-6H2,1H3;/q4*-1;+4",C6H14O.1/4Sn,,,,,,NIRYGOQSAJECEU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.847,298-879-0,93840-04-1,Lead bis(2-ethylhexanolate),-,[Pb+2].CCC(CCCC)C[O-].CCC(CCCC)C[O-],[Pb+2].CCC(CCCC)C[O-].CCC(CCCC)C[O-],"InChI=1/2C8H17O.Pb.2H/c2*1-3-5-6-8(4-2)7-9;;;/h2*8H,3-7H2,1-2H3;;;/q2*-1;+4;;/r2C8H17O.H2Pb/c2*1-3-5-6-8(4-2)7-9;/h2*8H,3-7H2,1-2H3;1H2/q2*-1;+4",C8H18O.1/2Pb,,,,,,IUNOSRQOHMZWDS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.849,298-881-1,93840-06-3,Antimony tris(2-ethylhexanolate),antimony(3+) tris(2-ethylhexan-1-olate),[SbH3+3].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-],[SbH3+3].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-],"InChI=1/3C8H17O.Sb.3H/c3*1-3-5-6-8(4-2)7-9;;;;/h3*8H,3-7H2,1-2H3;;;;/q3*-1;+3;;;/r3C8H17O.H3Sb/c3*1-3-5-6-8(4-2)7-9;/h3*8H,3-7H2,1-2H3;1H3/q3*-1;+3",C8H18O.1/3Sb,,,,,,AJYLUVBKVDOGMY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.850,298-882-7,93840-07-4,Dibutoxyfluorostibine,dibutoxy(fluoro)stibine,CCCCO[Sb](F)OCCCC,CCCCO[Sb](F)OCCCC,"InChI=1/2C4H9O.FH.Sb/c2*1-2-3-4-5;;/h2*2-4H2,1H3;1H;/q2*-1;;+3/p-1/rC8H18FO2Sb/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3",C8H18FO2Sb,,,,,,XERVMGXKGKFAFR-UHFFFAOYSA-M,,,,,,,,,,,
100.089.868,298-902-4,93840-39-2,"2,2'-methylenebis[6-tert-butyl-4-isopropylphenol]","2,2'-methylenebis(6-tert-butyl-4-isopropylphenol)",CC(C)c1cc(Cc2cc(cc(c2O)C(C)(C)C)C(C)C)c(O)c(c1)C(C)(C)C,CC(C)c1cc(Cc2cc(cc(c2O)C(C)(C)C)C(C)C)c(O)c(c1)C(C)(C)C,"InChI=1/C27H40O2/c1-16(2)18-11-20(24(28)22(14-18)26(5,6)7)13-21-12-19(17(3)4)15-23(25(21)29)27(8,9)10/h11-12,14-17,28-29H,13H2,1-10H3",C27H40O2,,,,,,RVVVMCHNTQXDPI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.736,300-955-6,93965-07-2,"N-(5,6,7,12,17,22,23,24-octahydro-5,7,12,17,22,24-hexaoxonaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazol-1-yl)benzamide","N-(5,7,12,17,22,24-hexaoxo-5,7,12,17,22,24-hexahydrodinaphtho[2,3-a:2',3'-i]naphtho[2',3':6,7]indolo[2,3-c]carbazol-1-yl)benzamide",O=C(Nc1cccc2C(=O)C3=C(C(=O)c12)C4=Nc5c(ccc6C(=O)c7ccccc7C(=O)c56)C4=C8C3=Nc9c8ccc%10C(=O)c%11ccccc%11C(=O)c9%10)c%12ccccc%12,O=C(Nc1cccc2C(=O)C3=C(C(=O)c12)C4=Nc5c(ccc6C(=O)c7ccccc7C(=O)c56)C4=C8C3=Nc9c8ccc%10C(=O)c%11ccccc%11C(=O)c9%10)c%12ccccc%12,"InChI=1/C49H21N3O7/c53-43-22-11-4-6-13-24(22)45(55)35-29(43)19-17-26-33-34-27-18-20-30-36(46(56)25-14-7-5-12-23(25)44(30)54)40(27)52-42(34)38-37(41(33)51-39(26)35)47(57)28-15-8-16-31(32(28)48(38)58)50-49(59)21-9-2-1-3-10-21/h1-20H,(H,50,59)",C49H23N3O7,,,,,,JIIUZUPIKVBRLN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.381,301-665-2,94023-67-3,"3-[(2,3-dichlorophenyl)methylene]carbazamidine","2-(2,3-dichlorobenzylidene)hydrazinecarboximidamide",Clc1c(C=NNC(N)=N)cccc1Cl,Clc1c(C=NNC(N)=N)cccc1Cl,"InChI=1/C8H8Cl2N4/c9-6-3-1-2-5(7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)",C8H8Cl2N4,,,,,,WLTSTDGGFCQWTK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.383,301-667-3,94023-69-5,5-(3-bromo-1-oxopropoxy)pentyl acrylate,5-[(3-bromopropanoyl)oxy]pentyl acrylate,BrCCC(=O)OCCCCCOC(=O)C=C,BrCCC(=O)OCCCCCOC(=O)C=C,"InChI=1/C11H17BrO4/c1-2-10(13)15-8-4-3-5-9-16-11(14)6-7-12/h2H,1,3-9H2",C11H17BrO4,,,,,,FYEDZYLGISIBBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.384,301-668-9,94023-70-8,"Pentane-1,5-diyl bis(2-bromopropionate)","pentane-1,5-diyl bis(2-bromopropanoate)",CC(Br)C(=O)OCCCCCOC(=O)C(C)Br,CC(Br)C(=O)OCCCCCOC(=O)C(C)Br,"InChI=1/C11H18Br2O4/c1-8(12)10(14)16-6-4-3-5-7-17-11(15)9(2)13/h8-9H,3-7H2,1-2H3",C11H18Br2O4,,,,,,KPMRDMGYLIQKQC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.385,301-669-4,94023-71-9,[(2-carboxyethoxy)methyl]dimethylsulphonium bromide,[(2-carboxyethoxy)methyl](dimethyl)sulfonium bromide,[Br-].C[S+](C)COCCC(=O)O,[Br-].C[S+](C)COCCC(=O)O,"InChI=1/C6H12O3S.BrH/c1-10(2)5-9-4-3-6(7)8;/h3-5H2,1-2H3;1H",C6H13O3S.Br,,,,,,DQHDXZOADKGAAC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.388,301-673-6,94023-74-2,"Methyl 3,5-dichloro-4-[2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy]benzoate","methyl 3,5-dichloro-4-{2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy}benzoate",COC(=O)c1ccc(OCCOc2c(Cl)cc(cc2Cl)C(=O)OC)c(Cl)c1,COC(=O)c1ccc(OCCOc2c(Cl)cc(cc2Cl)C(=O)OC)c(Cl)c1,"InChI=1/C18H15Cl3O6/c1-24-17(22)10-3-4-15(12(19)7-10)26-5-6-27-16-13(20)8-11(9-14(16)21)18(23)25-2/h3-4,7-9H,5-6H2,1-2H3",C18H15Cl3O6,,,,,,ZYKQVJATDNUGMP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.960,269-277-5,68213-94-5,"1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxyanthraquinone","1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy-9,10-anthraquinone",Nc1ccc(O)c2C(=O)c3c(O)ccc(Nc4ccc(Br)cc4Br)c3C(=O)c12,Nc1ccc(O)c2C(=O)c3c(O)ccc(Nc4ccc(Br)cc4Br)c3C(=O)c12,"InChI=1/C20H12Br2N2O4/c21-8-1-3-11(9(22)7-8)24-12-4-6-14(26)18-16(12)19(27)15-10(23)2-5-13(25)17(15)20(18)28/h1-7,24-26H,23H2",C20H12Br2N2O4,,,,,,BSAIZSQXJWMWFM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.979,269-297-4,68214-54-0,N-[2-[(3-amino-3-oxopropyl)stearoylamino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate,N-(3-amino-3-oxopropyl)-N-(2-{stearoyl[2-(stearoylamino)ethyl]amino}ethyl)octadecanamide acetate,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(=O)N)C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(=O)N)C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C61H120N4O4.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-59(67)63-53-55-65(61(69)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)57-56-64(54-52-58(62)66)60(68)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;1-2(3)4/h4-57H2,1-3H3,(H2,62,66)(H,63,67);1H3,(H,3,4)",C61H120N4O4.C2H4O2,,,,,,QZTKVNZEYYUVGL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.990,269-310-3,68214-71-1,"2,3,5,6-tetrahydro-N-[imino(2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl)methyl]-1H-imidazo[1,2-a]imidazole-1-carboxamidine monosulphate","N-[imino(2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl)methyl]-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole-1-carboximidamide sulfate",OS(=O)(=O)O.N=C(NC(=N)N1CCN2CCN=C12)N3CCN4CCN=C34,OS(=O)(=O)O.N=C(NC(=N)N1CCN2CCN=C12)N3CCN4CCN=C34,"InChI=1/C12H19N9.H2O4S/c13-9(20-7-5-18-3-1-15-11(18)20)17-10(14)21-8-6-19-4-2-16-12(19)21;1-5(2,3)4/h1-8H2,(H3,13,14,17);(H2,1,2,3,4)",C12H19N9.H2O4S,,,,,,PCUWPWSJMYKTTP-UHFFFAOYSA-N,,,,,,,,,,,
100.066.462,273-130-0,68938-57-8,"Benzene-1,2,4,5-tetracarboxylic acid, compound with 1-methyl-1H-imidazole (1:4)","benzene-1,2,4,5-tetracarboxylic acid - 1-methyl-1H-imidazole (1:4)",Cn1ccnc1.Cn2ccnc2.Cn3ccnc3.Cn4ccnc4.OC(=O)c5cc(C(=O)O)c(cc5C(=O)O)C(=O)O,Cn1ccnc1.Cn2ccnc2.Cn3ccnc3.Cn4ccnc4.OC(=O)c5cc(C(=O)O)c(cc5C(=O)O)C(=O)O,"InChI=1/C10H6O8.4C4H6N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-6-3-2-5-4-6/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*2-4H,1H3",C10H6O8.4C4H6N2,,,,,,DIVLCFQIFFAPBU-UHFFFAOYSA-N,,,,,,,,,,,
100.066.463,273-131-6,68938-58-9,(E)-3-hexenyl crotonate,hex-3-en-1-yl but-2-enoate,CC\\C=C\\CCOC(=O)\\C=C\\C,CC\C=C\CCOC(=O)\C=C\C,"InChI=1/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3",C10H16O2,,,,,,KITGYVIOYOCIIE-PTFSRLPTSA-N,,,,,,,,,,,
100.066.466,273-134-2,68938-62-5,2-hydroxy-3-phenoxypropyl p-toluenesulphonate,2-hydroxy-3-phenoxypropyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OCC(O)COc2ccccc2,Cc1ccc(cc1)S(=O)(=O)OCC(O)COc2ccccc2,"InChI=1/C16H18O5S/c1-13-7-9-16(10-8-13)22(18,19)21-12-14(17)11-20-15-5-3-2-4-6-15/h2-10,14,17H,11-12H2,1H3",C16H18O5S,,,,,,ZJLFIBYTDJXIKP-UHFFFAOYSA-N,,,,,,,,,,,
100.066.469,273-137-9,68938-65-8,2-[ethyl[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]ethyl benzoate,"2-(ethyl{4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)ethyl benzoate",CCN(CCOC(=O)c1ccccc1)c2ccc(cc2)N=Nc3nc4ccc(cc4s3)[N+]([O-])=O,CCN(CCOC(=O)c1ccccc1)c2ccc(cc2)N=Nc3nc4ccc(cc4s3)[N+]([O-])=O,"InChI=1/C24H21N5O4S/c1-2-28(14-15-33-23(30)17-6-4-3-5-7-17)19-10-8-18(9-11-19)26-27-24-25-21-13-12-20(29(31)32)16-22(21)34-24/h3-13,16H,2,14-15H2,1H3",C24H21N5O4S,,,,,,OOFQOIAJJICHQY-UHFFFAOYSA-N,,,,,,,,,,,
100.066.472,273-141-0,68938-72-7,"7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid dihydrochloride","3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphine-2,18-diyl)dipropanoic acid dihydrochloride",Cl.Cl.CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O,Cl.Cl.CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O,"InChI=1/C34H36N4O4.2ClH/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h13-16H,7-12H2,1-6H3,(H,39,40)(H,41,42);2*1H",C34H38N4O4.2ClH,,,,,,OWTPPKUUWKEFQK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.474,273-143-1,68938-75-0,1-(diethylamino)-3-[2-(diethylamino)-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]propan-2-ol dihydrochloride,1-(diethylamino)-3-[2-(diethylamino)-1-{[(2-ethylpentyl)oxy]methyl}ethoxy]propan-2-ol dihydrochloride,Cl.Cl.CCCC(CC)COCC(CN(CC)CC)OCC(O)CN(CC)CC,Cl.Cl.CCCC(CC)COCC(CN(CC)CC)OCC(O)CN(CC)CC,"InChI=1/C21H46N2O3.2ClH/c1-7-13-19(8-2)16-25-18-21(15-23(11-5)12-6)26-17-20(24)14-22(9-3)10-4;;/h19-21,24H,7-18H2,1-6H3;2*1H",C21H46N2O3.2ClH,,,,,,AARYHHIOYWDSLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.477,273-146-8,68938-80-7,"Dipotassium 3,6-dichlorosalicylate","dipotassium 3,6-dichlorosalicylate",[K+].[K+].Oc1c(Cl)ccc(Cl)c1C(=O)[O-].Oc2c(Cl)ccc(Cl)c2C(=O)[O-],[K+].[K+].Oc1c(Cl)ccc(Cl)c1C(=O)[O-].Oc2c(Cl)ccc(Cl)c2C(=O)[O-],"InChI=1/2C7H4Cl2O3.2K/c2*8-3-1-2-4(9)6(10)5(3)7(11)12;;/h2*1-2,10H,(H,11,12);;/q;;2*+1/p-2",C7H4Cl2O3.2K,,,,,,SQURSQDQPKIWKD-UHFFFAOYSA-L,,,,,,,,,,,
100.066.482,273-152-0,68938-94-3,Tripotassium hexachloroosmate,-,[K+].[K+].[K+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,[K+].[K+].[K+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/6ClH.3K.Os/h6*1H;;;;/q;;;;;;3*+1;+6/p-6/rCl6Os.3K/c1-7(2,3,4,5)6;;;/q;3*+1",Cl6Os.3K,,,,,,FGCKJEYVVXMJCD-UHFFFAOYSA-H,,,,,,,,,,,
100.066.484,273-154-1,68938-98-7,"Octadecadienoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","octadeca-2,4-dienoic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.CCCCCCCCCCCCCC=CC=CC(O)=O,OCCN(CCO)CCO.CCCCCCCCCCCCCC=CC=CC(O)=O,"InChI=1/C18H32O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10/h14-17H,2-13H2,1H3,(H,19,20);8-10H,1-6H2",C18H32O2.C6H15NO3,,,,,,FWQVMDXVPYRCCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.320,286-182-4,85187-93-5,"Benzyl[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-tolyl]amino]ethyl]dimethylammonium hydrogen sulphate","N-benzyl-2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N-dimethylethanaminium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4,[H+].[O-]S([O-])(=O)=O.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4,"InChI=1/C28H33N6S.H2O4S.H2/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-5(2,3)4;/h6-17,20H,5,18-19,21H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C28H33N6S.HO4S,,,,,,HRGATKWLSMBUOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.088.174,297-035-9,93302-56-8,"(E)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one","1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one",CCC(=O)\\C=C\\C1C(=CCCC1(C)C)C,CCC(=O)\C=C\C1C(=CCCC1(C)C)C,"InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3",C14H22O,,,,,,VPKMGDRERYMTJX-CMDGGOBGSA-N,,,,,,,,,,,
100.090.066,299-120-6,93856-86-1,N-[5-chloro-2-[(2-nitrophenyl)thio]phenyl]formamide,N-{5-chloro-2-[(2-nitrophenyl)sulfanyl]phenyl}formamide,[O-][N+](=O)c1ccccc1Sc2ccc(Cl)cc2NC=O,[O-][N+](=O)c1ccccc1Sc2ccc(Cl)cc2NC=O,"InChI=1/C13H9ClN2O3S/c14-9-5-6-12(10(7-9)15-8-17)20-13-4-2-1-3-11(13)16(18)19/h1-8H,(H,15,17)",C13H9ClN2O3S,,,,,,FGVZIFXHZPTHER-UHFFFAOYSA-N,,,,,,,,,,,
100.090.068,299-122-7,93856-88-3,3-morpholino-1-(2-thienyl)propan-1-one hydrochloride,3-morpholin-4-yl-1-(2-thienyl)propan-1-one hydrochloride,Cl.O=C(CCN1CCOCC1)c2cccs2,Cl.O=C(CCN1CCOCC1)c2cccs2,"InChI=1/C11H15NO2S.ClH/c13-10(11-2-1-9-15-11)3-4-12-5-7-14-8-6-12;/h1-2,9H,3-8H2;1H",C11H15NO2S.ClH,,,,,,RJOLSRWTPQWALE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.326,286-189-2,85187-99-1,"[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium acetate","2-(ethyl{4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium acetate",[O-]C(C)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,[O-]C(C)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3,"InChI=1/C21H27N6S.C2H4O2/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-2(3)4/h6-14H,5,15-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C21H27N6S.C2H3O2,,,,,,GYQOGLTXNQTGML-UHFFFAOYSA-M,,,,,,,,,,,
100.078.328,286-191-3,85188-01-8,"4-[(4-amino-3-methylphenyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine sulphate (1:1)",-,CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N.[O-]S(=O)(=O)[O-],CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N.[O-]S(=O)(=O)[O-],"InChI=1/C22H23N3.H2O4S/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5(2,3)4/h4-12,23H,24-25H2,1-3H3;(H2,1,2,3,4)/p-2",C22H23N3.H2O4S,,,,,,NNTWUNDCCWWXAJ-UHFFFAOYSA-L,,,,,,,,,,,
100.078.330,286-193-4,85188-03-0,"Methyl hydrogen sulphate, compound with 4-[(4-amino-3-methylphenyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline (1:1)","methyl hydrogen sulfate - 4,4'-[(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline) (1:1)",COS(=O)(=O)O.CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N,COS(=O)(=O)O.CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N,"InChI=1/C22H23N3.CH4O4S/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5-6(2,3)4/h4-12,23H,24-25H2,1-3H3;1H3,(H,2,3,4)",C22H23N3.CH4O4S,,,,,,XLTGMLYBPPSUKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.331,286-195-5,85188-04-1,"4-[(4-ammonio-3-methylphenyl)(4-iminio-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylanilinium phosphate","{4-[bis(4-ammonio-3-methylphenyl)methylene]-2-methylcyclohexa-2,5-dien-1-ylidene}ammonium phosphate",CC1=CC(=C(c2ccc([NH3+])c(C)c2)c3ccc([NH3+])c(C)c3)C=CC1=[NH2+].[O-]P(=O)([O-])[O-],CC1=CC(=C(c2ccc([NH3+])c(C)c2)c3ccc([NH3+])c(C)c3)C=CC1=[NH2+].[O-]P(=O)([O-])[O-],"InChI=1/C22H23N3.H3O4P/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5(2,3)4/h4-12,23H,24-25H2,1-3H3;(H3,1,2,3,4)",C22H23N3.H3O4P,,,,,,OINUUFPTMRUZFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.333,286-197-6,85188-06-3,"4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline phosphate","4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]dianiline phosphate",N=C\\1/C=C\\C(/C=C/1)=C(/c2ccc(N)cc2)c3ccc(N)cc3.OP(O)(=O)O,N=C\1/C=C\C(/C=C/1)=C(/c2ccc(N)cc2)c3ccc(N)cc3.OP(O)(=O)O,"InChI=1/C19H17N3.H3O4P/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-5(2,3)4/h1-12,20H,21-22H2;(H3,1,2,3,4)",C19H17N3.H3O4P,,,,,,XDPJNDDZHMJNRC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.336,286-200-0,85188-09-6,"Sodium 2,5-dichloro-4-[[4-(diethylamino)-o-tolyl]azo]benzenesulphonate","sodium 2,5-dichloro-4-{[4-(diethylamino)-2-methylphenyl]diazenyl}benzenesulfonate",[Na+].Clc2cc(c(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC)S([O-])(=O)=O,[Na+].Clc2cc(c(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC)S([O-])(=O)=O,"InChI=1/C17H19Cl2N3O3S.Na/c1-4-22(5-2)12-6-7-15(11(3)8-12)20-21-16-9-14(19)17(10-13(16)18)26(23,24)25;/h6-10H,4-5H2,1-3H3,(H,23,24,25);/q;+1/p-1",C17H19Cl2N3O3S.Na,,,,,,NURCUAFFHLSXNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.091.819,301-046-7,93980-67-7,Decyl (R)-12-hydroxyoleate,decyl 12-hydroxyoctadec-9-enoate,CCCCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C28H54O3/c1-3-5-7-9-10-15-18-22-26-31-28(30)25-21-17-14-12-11-13-16-20-24-27(29)23-19-8-6-4-2/h16,20,27,29H,3-15,17-19,21-26H2,1-2H3",C28H54O3,,,,,,TXWLKCGKLFGYNO-VNMNUEHBSA-N,,,,,,,,,,,
100.091.820,301-047-2,93980-68-8,Dodecyl (R)-12-hydroxyoleate,dodecyl 12-hydroxyoctadec-9-enoate,CCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C30H58O3/c1-3-5-7-9-10-11-14-17-20-24-28-33-30(32)27-23-19-16-13-12-15-18-22-26-29(31)25-21-8-6-4-2/h18,22,29,31H,3-17,19-21,23-28H2,1-2H3",C30H58O3,,,,,,RAPSKERQUJHWAM-HYTUOHKXSA-N,,,,,,,,,,,
100.091.821,301-048-8,93980-69-9,Tetradecyl (R)-12-hydroxyoleate,tetradecyl 12-hydroxyoctadec-9-enoate,CCCCCCCCCCCCCCOC(=O)CCCCCCC\\C=C/C[C@H](O)CCCCCC,CCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC,"InChI=1/C32H62O3/c1-3-5-7-9-10-11-12-13-16-19-22-26-30-35-32(34)29-25-21-18-15-14-17-20-24-28-31(33)27-23-8-6-4-2/h20,24,31,33H,3-19,21-23,25-30H2,1-2H3",C32H62O3,,,,,,GQWLAPWFOPKVEJ-NITRKBDNSA-N,,,,,,,,,,,
100.091.832,301-060-3,93980-80-4,Bicyclo[2.2.1]hept-1-yl acetate,bicyclo[2.2.1]hept-1-yl acetate,CC(=O)OC12CCC(CC1)C2,CC(=O)OC12CCC(CC1)C2,"InChI=1/C9H14O2/c1-7(10)11-9-4-2-8(6-9)3-5-9/h8H,2-6H2,1H3",C9H14O2,,,,,,RVIORAABVUOPRE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.840,301-069-2,93980-89-3,N-[3-(octadecylamino)propyl]-D-gluconamide,"2,3,4,5,6-pentahydroxy-N-[3-(octadecylamino)propyl]hexanamide (non-preferred name)",CCCCCCCCCCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C27H56N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-20-18-21-29-27(35)26(34)25(33)24(32)23(31)22-30/h23-26,28,30-34H,2-22H2,1H3,(H,29,35)",C27H56N2O6,,,,,,YZPULGLXVFIDSQ-FXSWLTOZSA-N,,,,,,,,,,,
100.091.841,301-070-8,93980-90-6,5-hexyldihydromethylfuran-2(3H)-one,5-hexyl-3-methyldihydrofuran-2(3H)-one,CCCCCCC1CC(C)C(=O)O1,CCCCCCC1CC(C)C(=O)O1,"InChI=1/C11H20O2/c1-3-4-5-6-7-10-8-9(2)11(12)13-10/h9-10H,3-8H2,1-2H3",C11H20O2,,,,,,JVLVXEZBHVOZEK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.843,301-072-9,93980-92-8,"2-[[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]amino]ethyl acetate","2-({5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}amino)ethyl acetate",Brc2cc(cc(c2N=Nc1cc(OC)c(NCCOC(C)=O)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(NCCOC(C)=O)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C19H19BrN6O8/c1-10(27)22-14-8-16(21-4-5-34-11(2)28)18(33-3)9-15(14)23-24-19-13(20)6-12(25(29)30)7-17(19)26(31)32/h6-9,21H,4-5H2,1-3H3,(H,22,27)",C19H19BrN6O8,,,,,,WHEBJADACRLPNW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.859,301-090-7,93981-08-9,Iron bis(2-ethylhexanoate),iron(2+) bis(2-ethylhexanoate),[Fe+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Fe+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Fe/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Fe,,,,,,SMSVUYQRWYTTLI-UHFFFAOYSA-L,,,,,,,,,,,
100.068.204,275-048-0,70942-44-8,(2-hydroxyethyl)dimethyl[3-[(2-methyl-1-oxoallyl)amino]propyl]ammonium acetate,"N-(2-hydroxyethyl)-3-(methacryloylamino)-N,N-dimethylpropan-1-aminium acetate",CC(=O)[O-].CC(=C)C(=O)NCCC[N+](C)(C)CCO,CC(=O)[O-].CC(=C)C(=O)NCCC[N+](C)(C)CCO,"InChI=1/C11H22N2O2.C2H4O2/c1-10(2)11(15)12-6-5-7-13(3,4)8-9-14;1-2(3)4/h14H,1,5-9H2,2-4H3;1H3,(H,3,4)",C11H23N2O2.C2H3O2,,,,,,WRBVKMYJZLKWCL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.206,275-050-1,70942-46-0,"Tetradecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosanoate","tetradecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosan-1-oate",CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCCCC,"InChI=1/2C17H34O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;2*1-3-4-2;/h2*20H,2-16H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC42H84O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-35-45-41(43)33-37-47-49(39-11-7-3,40-12-8-4)48-38-34-42(44)46-36-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-40H2,1-4H3",C42H84O4S2Sn,,,,,,ZOIIFFYQXPDJOK-UHFFFAOYSA-L,,,,,,,,,,,
100.068.207,275-051-7,70950-48-0,"4,6,7-trimethyl-3H-benzofuran-2-one","4,6,7-trimethyl-1-benzofuran-2(3H)-one",Cc1cc(C)c2CC(=O)Oc2c1C,Cc1cc(C)c2CC(=O)Oc2c1C,"InChI=1/C11H12O2/c1-6-4-7(2)9-5-10(12)13-11(9)8(6)3/h4H,5H2,1-3H3",C11H12O2,,,,,,JXXYXRFBCPVYOO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.224,275-070-0,70969-63-0,"Dipentadecyl 3,3'-[(dibutylstannylene)bis(thio)]dipropionate","pentadecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannapentacosan-1-oate",CCCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCCCCC,"InChI=1/2C18H36O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-18(19)15-17-21;2*1-3-4-2;/h2*21H,2-17H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC44H88O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-37-47-43(45)35-39-49-51(41-11-7-3,42-12-8-4)50-40-36-44(46)48-38-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-42H2,1-4H3",C44H88O4S2Sn,,,,,,JAGXWYFLJYKUCO-UHFFFAOYSA-L,,,,,,,,,,,
100.078.340,286-204-2,85188-14-3,"Hexasodium 3,3'-azobis[6-[2-[4-[[2-methoxy-4-[(4-methoxy-3-sulphonatophenyl)azo]-5-methylphenyl]azo]-2-sulphonatophenyl]vinyl]benzenesulphonate]","hexasodium 2,2'-{diazene-1,2-diylbis[(2-sulfonato-4,1-phenylene)ethene-2,1-diyl]}bis[5-({2-methoxy-4-[(4-methoxy-3-sulfonatophenyl)diazenyl]-5-methylphenyl}diazenyl)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1OC)N=Nc2cc(OC)c(cc2C)N=Nc8ccc(/C=C/c3ccc(cc3S([O-])(=O)=O)N=Nc7ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)N=Nc5cc(C)c(cc5OC)N=Nc6ccc(OC)c(c6)S([O-])(=O)=O)c(c7)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1OC)N=Nc2cc(OC)c(cc2C)N=Nc8ccc(/C=C/c3ccc(cc3S([O-])(=O)=O)N=Nc7ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)N=Nc5cc(C)c(cc5OC)N=Nc6ccc(OC)c(c6)S([O-])(=O)=O)c(c7)S([O-])(=O)=O)c(c8)S([O-])(=O)=O,"InChI=1/C58H50N10O22S6.6Na/c1-33-23-47(51(89-5)31-45(33)65-61-43-19-21-49(87-3)57(29-43)95(81,82)83)67-63-41-17-13-37(55(27-41)93(75,76)77)9-7-35-11-15-39(25-53(35)91(69,70)71)59-60-40-16-12-36(54(26-40)92(72,73)74)8-10-38-14-18-42(28-56(38)94(78,79)80)64-68-48-24-34(2)46(32-52(48)90-6)66-62-44-20-22-50(88-4)58(30-44)96(84,85)86;;;;;;/h7-32H,1-6H3,(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86);;;;;;/q;6*+1/p-6",C58H50N10O22S6.6Na,,,,,,GRURKBXRKWHRPA-PANWVLLISA-H,,,,,,,,,,,
100.078.342,286-206-3,85188-16-5,"Sodium 2-[4-[[2,4-dihydroxy-5-(phenylazo)phenyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate","sodium 2-(4-{[2,4-dihydroxy-5-(phenyldiazenyl)phenyl]diazenyl}phenyl)-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].Oc2cc(O)c(cc2N=Nc1ccccc1)N=Nc3ccc(cc3)c4nc5ccc(C)c(c5s4)S([O-])(=O)=O,[Na+].Oc2cc(O)c(cc2N=Nc1ccccc1)N=Nc3ccc(cc3)c4nc5ccc(C)c(c5s4)S([O-])(=O)=O,"InChI=1/C26H19N5O5S2.Na/c1-15-7-12-19-24(25(15)38(34,35)36)37-26(27-19)16-8-10-18(11-9-16)29-31-21-13-20(22(32)14-23(21)33)30-28-17-5-3-2-4-6-17;/h2-14,32-33H,1H3,(H,34,35,36);/q;+1/p-1",C26H19N5O5S2.Na,,,,,,GNMOJAWGQFUNIW-UHFFFAOYSA-M,,,,,,,,,,,
100.078.347,286-212-6,85188-21-2,"Sodium 3-[[5-[[4-[[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]anilino]carbonyl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulphonate","sodium 3-[(2,4-dihydroxy-5-{[4-({4-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}phenyl)diazenyl]-4-hydroxybenzenesulfonate",[Na+].O=C5N\\N=C(\\C)C5N=Nc4ccc(NC(=O)c3ccc(N=Nc2cc(N=Nc1cc(ccc1O)S([O-])(=O)=O)c(O)cc2O)cc3)cc4,[Na+].O=C5N\N=C(\C)C5N=Nc4ccc(NC(=O)c3ccc(N=Nc2cc(N=Nc1cc(ccc1O)S([O-])(=O)=O)c(O)cc2O)cc3)cc4,"InChI=1/C29H23N9O8S.Na/c1-15-27(29(43)38-31-15)37-33-19-8-6-17(7-9-19)30-28(42)16-2-4-18(5-3-16)32-34-22-13-23(26(41)14-25(22)40)36-35-21-12-20(47(44,45)46)10-11-24(21)39;/h2-14,27,39-41H,1H3,(H,30,42)(H,38,43)(H,44,45,46);/q;+1/p-1",C29H23N9O8S.Na,,,,,,MZAKYBFUIJWZPG-UHFFFAOYSA-M,,,,,,,,,,,
100.078.350,286-215-2,85188-26-7,"Disodium 1-amino-9,10-dihydro-4-(4-methylsulphonatoanilino)-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(4-methyl-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C21H16N2O8S2.2Na/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25;;/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C21H16N2O8S2.2Na,,,,,,RHCZISCTNGVWCV-UHFFFAOYSA-L,,,,,,,,,,,
100.090.071,299-125-3,93856-91-8,1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-isopropylurea,1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-isopropylurea,CC(C)NC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],CC(C)NC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C13H19N3O5/c1-8(2)14-13(19)15-11(7-17)12(18)9-3-5-10(6-4-9)16(20)21/h3-6,8,11-12,17-18H,7H2,1-2H3,(H2,14,15,19)",C13H19N3O5,,,,,,JPSUYHCCZCEGKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.074,299-129-5,93856-94-1,N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]methanesulphonamide,N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]methanesulfonamide,CS(=O)(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],CS(=O)(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C10H14N2O6S/c1-19(17,18)11-9(6-13)10(14)7-2-4-8(5-3-7)12(15)16/h2-5,9-11,13-14H,6H2,1H3",C10H14N2O6S,,,,,,PONRZCGYVXGRIU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.083,299-138-4,93857-04-6,Disodium methylenebis(methoxybenzenesulphonate),"disodium 3,3'-methylenebis(2-methoxybenzenesulfonate)",[Na+].[Na+].COc1c(Cc2cccc(c2OC)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],[Na+].[Na+].COc1c(Cc2cccc(c2OC)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-],"InChI=1/C15H16O8S2.2Na/c1-22-14-10(5-3-7-12(14)24(16,17)18)9-11-6-4-8-13(15(11)23-2)25(19,20)21;;/h3-8H,9H2,1-2H3,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2",C15H16O8S2.2Na,,,,,,ZUOOTLGJABECBZ-UHFFFAOYSA-L,,,,,,,,,,,
100.090.085,299-141-0,93857-07-9,"Choline 2,5-dihydroxybenzoate","2-hydroxy-N,N,N-trimethylethanaminium 2,5-dihydroxybenzoate",C[N+](C)(C)CCO.Oc1ccc(O)c(c1)C(=O)[O-],C[N+](C)(C)CCO.Oc1ccc(O)c(c1)C(=O)[O-],"InChI=1/C7H6O4.C5H14NO/c8-4-1-2-6(9)5(3-4)7(10)11;1-6(2,3)4-5-7/h1-3,8-9H,(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1",C7H5O4.C5H14NO,,,,,,DBIKXMHOALQSFK-UHFFFAOYSA-M,,,,,,,,,,,
100.090.088,299-144-7,93857-10-4,"Hexyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","hexyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCOP(O)(O)=O.OCCN(CCO)CCO,CCCCCCOP(O)(O)=O.OCCN(CCO)CCO,"InChI=1/C6H15NO3.C6H15O4P/c8-4-1-7(2-5-9)3-6-10;1-2-3-4-5-6-10-11(7,8)9/h8-10H,1-6H2;2-6H2,1H3,(H2,7,8,9)",C6H15NO3.C6H15O4P,,,,,,YGUAJFADJQQNEX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.089,299-145-2,93857-12-6,"1-ethyl-4,5-dihydro-1-(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium ethyl sulphate","1-ethyl-1-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",CCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],"InChI=1/C22H45N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22,4-2)20-21-25;1-2-6-7(3,4)5/h25H,3-21H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C22H45N2O.C2H5O4S,,,,,,JGBVQNNMUYESIE-UHFFFAOYSA-M,,,,,,,,,,,
100.092.390,301-675-7,94023-76-4,Ethyl 2-(diethylamino)benzoate,ethyl 2-(diethylamino)benzoate,CCOC(=O)c1ccccc1N(CC)CC,CCOC(=O)c1ccccc1N(CC)CC,"InChI=1/C13H19NO2/c1-4-14(5-2)12-10-8-7-9-11(12)13(15)16-6-3/h7-10H,4-6H2,1-3H3",C13H19NO2,,,,,,WKRKXDRSJVDMGO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.392,301-677-8,94023-78-6,N-[1-(hydroxymethyl)propyl]undecenamide,N-[1-(hydroxymethyl)propyl]undec-10-enamide,CCC(NC(=O)CCCCCCCCC=C)CO,CCC(NC(=O)CCCCCCCCC=C)CO,"InChI=1/C15H29NO2/c1-3-5-6-7-8-9-10-11-12-15(18)16-14(4-2)13-17/h3,14,17H,1,4-13H2,2H3,(H,16,18)",C15H29NO2,,,,,,DUIZFUBHHGZRPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.889,286-808-6,85391-53-3,4-methyloctyl nonyl phthalate,4-methyloctyl nonyl phthalate,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC(C)CCCC,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC(C)CCCC,"InChI=1/C26H42O4/c1-4-6-8-9-10-11-14-20-29-25(27)23-18-12-13-19-24(23)26(28)30-21-15-17-22(3)16-7-5-2/h12-13,18-19,22H,4-11,14-17,20-21H2,1-3H3",C26H42O4,,,,,,ASCIIAYCECQQJU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.890,286-809-1,85391-54-4,6-methyloctyl nonyl phthalate,6-methyloctyl nonyl phthalate,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)CC,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)CC,"InChI=1/C26H42O4/c1-4-6-7-8-9-10-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-11-12-17-22(3)5-2/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3",C26H42O4,,,,,,IQEHDTICMJAPEW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.893,286-812-8,85391-57-7,2-[[4-[(2-bromoallyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile,2-({4-[(2-bromoprop-2-en-1-yl)(2-hydroxyethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile,BrC(=C)CN(CCO)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,BrC(=C)CN(CCO)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2,"InChI=1/C18H16BrN5O3/c1-13(19)12-23(8-9-25)16-4-2-15(3-5-16)21-22-18-7-6-17(24(26)27)10-14(18)11-20/h2-7,10,25H,1,8-9,12H2",C18H16BrN5O3,,,,,,GMDXUESJQCRDNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.897,286-817-5,85391-61-3,3-[(2-aminophenyl)methyl]-o-toluidine,3-(2-aminobenzyl)-2-methylaniline,Cc1c(N)cccc1Cc2ccccc2N,Cc1c(N)cccc1Cc2ccccc2N,"InChI=1/C14H16N2/c1-10-11(6-4-8-13(10)15)9-12-5-2-3-7-14(12)16/h2-8H,9,15-16H2,1H3",C14H16N2,,,,,,SUCBNRFUDIQDNX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.900,286-820-1,85391-64-6,"4-chloro-2-(2,4-dichlorophenoxy)benzothiazole","4-chloro-2-(2,4-dichlorophenoxy)-1,3-benzothiazole",Clc1ccc(Oc2nc3c(Cl)cccc3s2)c(Cl)c1,Clc1ccc(Oc2nc3c(Cl)cccc3s2)c(Cl)c1,InChI=1/C13H6Cl3NOS/c14-7-4-5-10(9(16)6-7)18-13-17-12-8(15)2-1-3-11(12)19-13/h1-6H,C13H6Cl3NOS,,,,,,HYFCOEUFNGCEGS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.901,286-821-7,85391-65-7,"4-chloro-2-(2,5-dichlorophenoxy)benzothiazole","4-chloro-2-(2,5-dichlorophenoxy)-1,3-benzothiazole",Clc1ccc(Cl)c(Oc2nc3c(Cl)cccc3s2)c1,Clc1ccc(Cl)c(Oc2nc3c(Cl)cccc3s2)c1,InChI=1/C13H6Cl3NOS/c14-7-4-5-8(15)10(6-7)18-13-17-12-9(16)2-1-3-11(12)19-13/h1-6H,C13H6Cl3NOS,,,,,,FNNPZNCLCDPYGA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.906,286-826-4,85391-70-4,"2,6-bis[(2-methylphenyl)methylene]cyclohexan-1-one","2,6-bis(2-methylbenzylidene)cyclohexanone",Cc3ccccc3C=C2CCCC(=Cc1ccccc1C)C2=O,Cc3ccccc3C=C2CCCC(=Cc1ccccc1C)C2=O,"InChI=1/C22H22O/c1-16-8-3-5-10-18(16)14-20-12-7-13-21(22(20)23)15-19-11-6-4-9-17(19)2/h3-6,8-11,14-15H,7,12-13H2,1-2H3",C22H22O,,,,,,UTIHSBHVGKPGEM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.908,286-829-0,85391-72-6,"17ß-(cyclopentyloxy)estra-1,3,5(10)-trien-3-ol","17-(cyclopentyloxy)estra-1,3,5(10)-trien-3-ol",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC5CCCC5,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC5CCCC5,"InChI=1/C23H32O2/c1-23-13-12-19-18-9-7-16(24)14-15(18)6-8-20(19)21(23)10-11-22(23)25-17-4-2-3-5-17/h7,9,14,17,19-22,24H,2-6,8,10-13H2,1H3",C23H32O2,,,,,,WKZKZQHUIXPPDM-VROINQGHSA-N,,,,,,,,,,,
100.078.909,286-830-6,85391-73-7,"16a-ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione laurate","2-(16-ethyl-3-oxoestra-4,9-dien-17-yl)-2-oxoethyl laurate",CCCCCCCCCCCC(=O)OCC(=O)[C@H]1[C@H](CC)C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C,CCCCCCCCCCCC(=O)OCC(=O)[C@H]1[C@H](CC)C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C,"InChI=1/C34H52O4/c1-4-6-7-8-9-10-11-12-13-14-32(37)38-23-31(36)33-24(5-2)22-30-29-17-15-25-21-26(35)16-18-27(25)28(29)19-20-34(30,33)3/h21,24,29-30,33H,4-20,22-23H2,1-3H3",C34H52O4,,,,,,YKMPUMBCRKUJRK-ODMVDYRZSA-N,,,,,,,,,,,
100.078.918,286-840-0,85391-84-0,"2-[[(2-methyl-1-oxoallyl)oxy]methyl]-2-propyl-1,3-propanediyl bismethacrylate","2,2-bis[(methacryloyloxy)methyl]pentyl methacrylate (non-preferred name)",CCCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,CCCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,"InChI=1/C19H28O6/c1-8-9-19(10-23-16(20)13(2)3,11-24-17(21)14(4)5)12-25-18(22)15(6)7/h2,4,6,8-12H2,1,3,5,7H3",C19H28O6,,,,,,ZZYZXHWVEYEDLH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.920,286-842-1,85391-86-2,3-(bicyclo[2.2.1]hept-5-en-2-yl)acrylonitrile,3-bicyclo[2.2.1]hept-5-en-2-ylacrylonitrile,N#C\\C=C\\C1CC2CC1C=C2,N#C\C=C\C1CC2CC1C=C2,"InChI=1/C10H11N/c11-5-1-2-9-6-8-3-4-10(9)7-8/h1-4,8-10H,6-7H2",C10H11N,,,,,,BDMQXDGYXHJZEC-OWOJBTEDSA-N,,,,,,,,,,,
100.078.927,286-850-5,85391-93-1,2-ethyl-4-methoxy-5-methylfuran-3(2H)-one,2-ethyl-4-methoxy-5-methylfuran-3(2H)-one,CCC1OC(=C(OC)C1=O)C,CCC1OC(=C(OC)C1=O)C,"InChI=1/C8H12O3/c1-4-6-7(9)8(10-3)5(2)11-6/h6H,4H2,1-3H3",C8H12O3,,,,,,GIIVIXMJDFNNQY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.228,275-074-2,70969-71-0,2-(acetoxy)-1-[(acetoxy)methyl]ethyl octanoate,2-acetoxy-1-(acetoxymethyl)ethyl octanoate,CCCCCCCC(=O)OC(COC(=O)C)COC(=O)C,CCCCCCCC(=O)OC(COC(=O)C)COC(=O)C,"InChI=1/C15H26O6/c1-4-5-6-7-8-9-15(18)21-14(10-19-12(2)16)11-20-13(3)17/h14H,4-11H2,1-3H3",C15H26O6,,,,,,QSCYGMBVVDDPGY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.239,275-086-8,70983-44-7,"Benzoic acid, 2,4-dihydroxy-, copper salt, basic","copper(2+) bis(2,4-dihydroxybenzoate)",[Cu+2].O=C([O-])C=1\\C=CC(\\O)=C/C=1O.[O-]C(=O)c1ccc(O)cc1O,[Cu+2].O=C([O-])C=1\C=CC(\O)=C/C=1O.[O-]C(=O)c1ccc(O)cc1O,"InChI=1/2C7H6O4.Cu/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,8-9H,(H,10,11);/q;;+2/p-2",-,,,,,,UCPROVVOIQFRKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.062.997,269-318-7,68214-78-8,N-[2-[(2-cyano-6-iodo-4-nitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]acetamide,N-{2-[(2-cyano-6-iodo-4-nitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl}acetamide,COc2cc(N=Nc1c(C#N)cc(cc1I)[N+]([O-])=O)c(cc2N(CC)CC)NC(C)=O,COc2cc(N=Nc1c(C#N)cc(cc1I)[N+]([O-])=O)c(cc2N(CC)CC)NC(C)=O,"InChI=1/C20H21IN6O4/c1-5-26(6-2)18-9-16(23-12(3)28)17(10-19(18)31-4)24-25-20-13(11-22)7-14(27(29)30)8-15(20)21/h7-10H,5-6H2,1-4H3,(H,23,28)",C20H21IN6O4,,,,,,IZORMMLJZNGANB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.127,268-359-8,68081-86-7,"Phenol, nonyl derivs.",4-nonylphenol,CCCCCCCCCc1ccc(O)cc1,CCCCCCCCCc1ccc(O)cc1,"InChI=1/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3",-,,,,,,IGFHQQFPSIBGKE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.146,268-380-2,68083-31-8,Sodium hydroxy(2-methoxyphenyl)methanesulphonate,sodium hydroxy(2-methoxyphenyl)methanesulfonate,[Na+].COc1ccccc1C(O)S(=O)(=O)[O-],[Na+].COc1ccccc1C(O)S(=O)(=O)[O-],"InChI=1/C8H10O5S.Na/c1-13-7-5-3-2-4-6(7)8(9)14(10,11)12;/h2-5,8-9H,1H3,(H,10,11,12);/q;+1/p-1",C8H10O5S.Na,,,,,,LYIAZTRVKUSNCO-UHFFFAOYSA-M,,,,,,,,,,,
100.062.150,268-384-4,68083-36-3,"Cyclohex-5-ene-1,2,3,4-tetrone 1,3-dioxime, monosodium salt",-,[Na+].ON=C1C(=O)\\C=C/C(=NO)C1=O,[Na+].ON=C1C(=O)\C=C/C(=NO)C1=O,"InChI=1/C6H4N2O4.Na/c9-4-2-1-3(7-11)6(10)5(4)8-12;/h1-2,11-12H;/q;+1",C6H4N2O4.Na,,,,,,AJIDYBCHZMTJDA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.007,274-830-9,70729-69-0,Allyl(3-chloro-2-hydroxypropyl)dimethylammonium chloride,"N-(3-chloro-2-hydroxypropyl)-N,N-dimethylprop-2-en-1-aminium chloride",[Cl-].C[N+](C)(CC=C)CC(O)CCl,[Cl-].C[N+](C)(CC=C)CC(O)CCl,"InChI=1/C8H17ClNO.ClH/c1-4-5-10(2,3)7-8(11)6-9;/h4,8,11H,1,5-7H2,2-3H3;1H/q+1;/p-1",C8H17ClNO.Cl,,,,,,ROHZEENBJZUCSE-UHFFFAOYSA-M,,,,,,,,,,,
100.068.039,274-866-5,70776-17-9,"1,3,5-triazine-2,4,6-triamine, compound with 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide (2:1)","2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diol 3,9-dioxide - 1,3,5-triazine-2,4,6-triamine (1:2)",Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OP3(=O)OCC4(COP(=O)(O)OC4)CO3,Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OP3(=O)OCC4(COP(=O)(O)OC4)CO3,"InChI=1/C5H10O8P2.2C3H6N6/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5;2*4-1-7-2(5)9-3(6)8-1/h1-4H2,(H,6,7)(H,8,9);2*(H6,4,5,6,7,8,9)",C5H10O8P2.2C3H6N6,,,,,,JCDRSDQQFZMLMN-UHFFFAOYSA-N,,,,,,,,,,,
100.086.647,295-356-9,91998-52-6,"4,5-dihydro-2-[[3-(triethoxysilyl)propyl]thio]-1H-imidazole monohydrobromide","2-{[3-(triethoxysilyl)propyl]sulfanyl}-4,5-dihydro-1H-imidazole hydrobromide",Br.CCO[Si](CCCSC1=NCCN1)(OCC)OCC,Br.CCO[Si](CCCSC1=NCCN1)(OCC)OCC,"InChI=1/C12H26N2O3SSi.BrH/c1-4-15-19(16-5-2,17-6-3)11-7-10-18-12-13-8-9-14-12;/h4-11H2,1-3H3,(H,13,14);1H",C12H26N2O3SSi.BrH,,,,,,RHFFWHVKPFBMBR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.248,275-096-2,70994-13-7,10-oxo-4-decenoic acid,10-oxodec-4-enoic acid,OC(=O)CCC=CCCCCC=O,OC(=O)CCC=CCCCCC=O,"InChI=1/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h2,4,9H,1,3,5-8H2,(H,12,13)",C10H16O3,,,,,,RMWKFDCOCADQIU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.877,275-788-4,71662-23-2,"2,6-dimethyloct-6-en-2-yl acetate","1,1,5-trimethylhept-5-en-1-yl acetate",CC=C(C)CCCC(C)(C)OC(C)=O,CC=C(C)CCCC(C)(C)OC(C)=O,"InChI=1/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,7-9H2,1-5H3",C12H22O2,,,,,,XSRPTQWSAJWCQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.878,275-790-5,71662-24-3,"2,6-dimethyloct-6-en-2-yl formate","1,1,5-trimethylhept-5-en-1-yl formate",CC=C(C)CCCC(C)(C)OC=O,CC=C(C)CCCC(C)(C)OC=O,"InChI=1/C11H20O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9H,6-8H2,1-4H3",C11H20O2,,,,,,UECOUYYXGTZGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.890,275-802-9,71662-36-7,(3-chloropropoxy)fluorobenzene,1-(3-chloropropoxy)-2-fluorobenzene,Fc1ccccc1OCCCCl,Fc1ccccc1OCCCCl,"InChI=1/C9H10ClFO/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-2,4-5H,3,6-7H2",C9H10ClFO,,,,,,KNJPVCXGHKZYQE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.894,275-807-6,71662-40-3,Sodium p-(1H-imidazol-1-yl)phenolate,sodium 4-(1H-imidazol-1-yl)phenolate,[Na+].[O-]c1ccc(cc1)n2ccnc2,[Na+].[O-]c1ccc(cc1)n2ccnc2,"InChI=1/C9H8N2O.Na/c12-9-3-1-8(2-4-9)11-6-5-10-7-11;/h1-7,12H;/q;+1/p-1",C9H8N2O.Na,,,,,,NCJDARDSMOQBNV-UHFFFAOYSA-M,,,,,,,,,,,
100.068.895,275-808-1,71662-41-4,Methyl 4-hydroxy-3-(1-oxopropyl)phenylacetate,methyl (4-hydroxy-3-propionylphenyl)acetate,CCC(=O)c1cc(CC(=O)OC)ccc1O,CCC(=O)c1cc(CC(=O)OC)ccc1O,"InChI=1/C12H14O4/c1-3-10(13)9-6-8(4-5-11(9)14)7-12(15)16-2/h4-6,14H,3,7H2,1-2H3",C12H14O4,,,,,,FWPZORRTDTZVAB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.006,275-930-5,71735-18-7,"3,5-dichloro-N-(1,2-dimethylpropyl)benzamide","3,5-dichloro-N-(1,2-dimethylpropyl)benzamide",CC(C)C(C)NC(=O)c1cc(Cl)cc(Cl)c1,CC(C)C(C)NC(=O)c1cc(Cl)cc(Cl)c1,"InChI=1/C12H15Cl2NO/c1-7(2)8(3)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,1-3H3,(H,15,16)",C12H15Cl2NO,,,,,,JDOXCHVLSDFJAD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.015,275-939-4,71735-27-8,Dipotassium 4-nitro-o-phenylene bis(sulphate),"dipotassium 4-nitro-1,2-phenylene disulfate",[K+].[K+].[O-][N+](=O)c1ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c1,[K+].[K+].[O-][N+](=O)c1ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c1,"InChI=1/C6H5NO10S2.2K/c8-7(9)4-1-2-5(16-18(10,11)12)6(3-4)17-19(13,14)15;;/h1-3H,(H,10,11,12)(H,13,14,15);;/q;2*+1/p-2",C6H5NO10S2.2K,,,,,,IICALCATYHWHBV-UHFFFAOYSA-L,,,,,,,,,,,
100.069.016,275-941-5,71735-28-9,3-methoxy-2-nitrodibenzofuran,"3-methoxy-2-nitrodibenzo[b,d]furan",COc1cc2oc3ccccc3c2cc1[N+](=O)[O-],COc1cc2oc3ccccc3c2cc1[N+](=O)[O-],"InChI=1/C13H9NO4/c1-17-13-7-12-9(6-10(13)14(15)16)8-4-2-3-5-11(8)18-12/h2-7H,1H3",C13H9NO4,,,,,,OUSHYUBESLWFNA-UHFFFAOYSA-N,,,,,,,,,,,
100.069.020,275-945-7,71735-33-6,Acenaphthyleneoctol,"acenaphthylene-1,2,3,4,5,6,7,8-octol",OC1=C(O)c2c(O)c(O)c(O)c3c(O)c(O)c(O)c1c23,OC1=C(O)c2c(O)c(O)c(O)c3c(O)c(O)c(O)c1c23,InChI=1/C12H8O8/c13-5-2-1-3(6(5)14)8(16)12(20)10(18)4(1)9(17)11(19)7(2)15/h13-20H,C12H8O8,,,,,,HIJOIWPXNMMCST-UHFFFAOYSA-N,,,,,,,,,,,
100.063.658,270-045-0,68400-55-5,Disodium [[4-[(4-amino-7-sulphonato-1-naphthyl)azo]phenyl]amino]oxoacetate,disodium ({4-[(4-amino-7-sulfonato-1-naphthyl)diazenyl]phenyl}amino)(oxo)acetate,[Na+].[Na+].[O-]C(=O)C(=O)Nc3ccc(N=Nc1ccc(N)c2ccc(cc12)S([O-])(=O)=O)cc3,[Na+].[Na+].[O-]C(=O)C(=O)Nc3ccc(N=Nc1ccc(N)c2ccc(cc12)S([O-])(=O)=O)cc3,"InChI=1/C18H14N4O6S.2Na/c19-15-7-8-16(14-9-12(29(26,27)28)5-6-13(14)15)22-21-11-3-1-10(2-4-11)20-17(23)18(24)25;;/h1-9H,19H2,(H,20,23)(H,24,25)(H,26,27,28);;/q;2*+1/p-2",C18H14N4O6S.xNa,,,,,,HFACPUGPODJWNB-UHFFFAOYSA-L,,,,,,,,,,,
100.068.418,275-282-3,71242-69-8,"a,a,6-trimethyl-7-oxabicyclo[4.1.0]heptane-3-methanol",2-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)propan-2-ol,CC(C)(O)C1CCC2(C)OC2C1,CC(C)(O)C1CCC2(C)OC2C1,"InChI=1/C10H18O2/c1-9(2,11)7-4-5-10(3)8(6-7)12-10/h7-8,11H,4-6H2,1-3H3",C10H18O2,,,,,,HSMACHQZLSQBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.439,275-306-2,71276-99-8,"(Z)-1,1-diethoxyundec-2-ene","1,1-diethoxyundec-2-ene",CCCCCCCC\\C=C/C(OCC)OCC,CCCCCCCC\C=C/C(OCC)OCC,"InChI=1/C15H30O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h13-15H,4-12H2,1-3H3",C15H30O2,,,,,,LBQJYAKETIUXGG-YPKPFQOOSA-N,,,,,,,,,,,
100.068.445,275-313-0,71308-04-8,Didodecyldimethylammonium nitrite,"N-dodecyl-N,N-dimethyldodecan-1-aminium nitrite",CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[O-]N=O,CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[O-]N=O,"InChI=1/C26H56N.HNO2/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;2-1-3/h5-26H2,1-4H3;(H,2,3)/q+1;/p-1",C26H56N.NO2,,,,,,BGEWTAMQKQEHCF-UHFFFAOYSA-M,,,,,,,,,,,
100.068.448,275-316-7,71317-41-4,Tris(2-hydroxyethyl)ammonium tetracosyl sulphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium tetracosyl sulfate",CCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C24H50O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25,26)27;8-4-1-7(2-5-9)3-6-10/h2-24H2,1H3,(H,25,26,27);8-10H,1-6H2",C24H50O4S.C6H15NO3,,,,,,WLYHVKSUPJOWAN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.041,275-968-2,71745-82-9,"Propionic acid, ammonium copper salt",-,[Cu].N.CCC(O)=O,[Cu].N.CCC(O)=O,"InChI=1/C3H6O2.Cu.H3N/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);;1H3/q;+1;",C3H6O2.xCu.xH3N,,,,,,MKLAGUBOMIFBTR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.049,275-977-1,71750-45-3,Ammonium butyldinitrophenolate,"ammonium 2-butyl-3,4-dinitrophenolate",[NH4+].CCCCc1c([O-])ccc(c1[N+](=O)[O-])[N+](=O)[O-],[NH4+].CCCCc1c([O-])ccc(c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C10H12N2O5.H3N/c1-2-3-4-7-9(13)6-5-8(11(14)15)10(7)12(16)17;/h5-6,13H,2-4H2,1H3;1H3",C10H12N2O5.H3N,,,,,,IQLGTFOEQDEDTN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.721,270-115-0,68411-30-3,"Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts",sodium 4-undecylbenzenesulfonate,[Na+].CCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C17H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21(18,19)20;/h12-15H,2-11H2,1H3,(H,18,19,20);/q;+1/p-1",-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15879,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.721,BBXSRNGXHHCIMV-UHFFFAOYSA-M,,,,,,,,,,,
100.065.480,272-049-8,68650-93-1,"Oleic acid, compound with isopropylamine (1:1)",octadec-9-enoic acid - propan-2-amine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CC(C)N,CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(C)N,"InChI=1/C18H34O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(2)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,4H2,1-2H3",C18H34O2.C3H9N,,,,,,LOTPPNZMKIOSBW-KVVVOXFISA-N,,,,,,,,,,,
100.065.483,272-052-4,68658-41-3,"2,2'-thiobis[6-chloro-p-cresol]","2,2'-sulfanediylbis(6-chloro-4-methylphenol)",Cc1cc(Cl)c(O)c(Sc2cc(C)cc(Cl)c2O)c1,Cc1cc(Cl)c(O)c(Sc2cc(C)cc(Cl)c2O)c1,"InChI=1/C14H12Cl2O2S/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,17-18H,1-2H3",C14H12Cl2O2S,,,,,,MREHSIFYCIVVAS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.093,299-149-4,93857-18-2,"Ethylene bis[[(8-dodecyl-5,11-dioxo-1,4-dioxa-7,9-dithia-8-stannacycloundec-8-yl)thio]acetate]","ethane-1,2-diyl bis{[(5-dodecyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundecan-5-yl)sulfanyl]acetate}",CCCCCCCCCCCC[Sn]1(SCC(=O)OCCOC(=O)CS[Sn]2(CCCCCCCCCCCC)SCC(=O)OCCOC(=O)CS2)SCC(=O)OCCOC(=O)CS1,CCCCCCCCCCCC[Sn]1(SCC(=O)OCCOC(=O)CS[Sn]2(CCCCCCCCCCCC)SCC(=O)OCCOC(=O)CS2)SCC(=O)OCCOC(=O)CS1,"InChI=1/2C12H25.3C6H10O4S2.2Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;3*7-5(3-11)9-1-2-10-6(8)4-12;;/h2*1,3-12H2,2H3;3*11-12H,1-4H2;;/q;;;;;2*+3/p-6/rC42H74O12S6Sn2/c1-3-5-7-9-11-13-15-17-19-21-29-61(55-31-37(43)49-23-24-50-38(44)32-56-61)59-35-41(47)53-27-28-54-42(48)36-60-62(30-22-20-18-16-14-12-10-8-6-4-2)57-33-39(45)51-25-26-52-40(46)34-58-62/h3-36H2,1-2H3",C42H74O12S6Sn2,,,,,,NOGXUYYAAIDCMR-UHFFFAOYSA-H,,,,,,,,,,,
100.090.094,299-151-5,93857-19-3,"5-oxo-L-proline, compound with 2-(dimethylamino)ethyl (4-chlorophenoxy)acetate (1:1)",5-oxo-L-proline - 2-(dimethylamino)ethyl (4-chlorophenoxy)acetate (1:1),CN(C)CCOC(=O)COc1ccc(Cl)cc1.OC(=O)[C@@H]2CCC(=O)N2,CN(C)CCOC(=O)COc1ccc(Cl)cc1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C12H16ClNO3.C5H7NO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;7-4-2-1-3(6-4)5(8)9/h3-6H,7-9H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C12H16ClNO3.C5H7NO3,,,,,,BVAXVQNKFUKCTJ-HVDRVSQOSA-N,,,,,,,,,,,
100.078.366,286-233-0,85201-92-9,"1-benzyl hydrogen (2S-trans)-4-(tert-butoxy)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)",1-[(benzyloxy)carbonyl]-4-tert-butoxy-L-proline - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(=O)O.C3CCC(CC3)NC4CCCCC4,CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(=O)O.C3CCC(CC3)NC4CCCCC4,"InChI=1/C17H23NO5.C12H23N/c1-17(2,3)23-13-9-14(15(19)20)18(10-13)16(21)22-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20);11-13H,1-10H2",C17H23NO5.C12H23N,,,,,,XGEBASGHXOJNSC-DFQHDRSWSA-N,,,,,,,,,,,
100.078.500,286-381-6,85223-26-3,"2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)methyl]pyridine","2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)methyl]pyridine",CC1(C)C2CCC1(C)C(Cc3ccccn3)C2,CC1(C)C2CCC1(C)C(Cc3ccccn3)C2,"InChI=1/C16H23N/c1-15(2)12-7-8-16(15,3)13(10-12)11-14-6-4-5-9-17-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3",C16H23N,,,,,,XNJSUSZCIUSQHU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.501,286-382-1,85223-27-4,Bismuth(3+) (2-methoxyphenoxy)acetate,bismuth(3+) tris[(2-methoxyphenoxy)acetate],[BiH3+3].COc1ccccc1OCC(=O)[O-].COc2ccccc2OCC(=O)[O-].COc3ccccc3OCC(=O)[O-],[BiH3+3].COc1ccccc1OCC(=O)[O-].COc2ccccc2OCC(=O)[O-].COc3ccccc3OCC(=O)[O-],"InChI=1/3C9H10O4.Bi.3H/c3*1-12-7-4-2-3-5-8(7)13-6-9(10)11;;;;/h3*2-5H,6H2,1H3,(H,10,11);;;;/q;;;+3;;;/p-3/r3C9H10O4.BiH3/c3*1-12-7-4-2-3-5-8(7)13-6-9(10)11;/h3*2-5H,6H2,1H3,(H,10,11);1H3/q;;;+3/p-3",C9H10O4.1/3Bi,,,,,,IFPZIOIXYGCICT-UHFFFAOYSA-K,,,,,,,,,,,
100.078.504,286-385-8,85223-30-9,"Disodium 3,3'-[iminobis(4,1-phenyleneazo)]bis[5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate]",-,[Na+].[Na+].[O-]S(=O)(=O)c8cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4)N=Nc7c(cc6cc(cc(NC(=O)c5ccccc5)c6c7O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c8cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4)N=Nc7c(cc6cc(cc(NC(=O)c5ccccc5)c6c7O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C46H33N7O16S4.2Na/c54-43-39-27(19-33(70(58,59)60)23-35(39)48-45(56)25-7-3-1-4-8-25)21-37(72(64,65)66)41(43)52-50-31-15-11-29(12-16-31)47-30-13-17-32(18-14-30)51-53-42-38(73(67,68)69)22-28-20-34(71(61,62)63)24-36(40(28)44(42)55)49-46(57)26-9-5-2-6-10-26;;/h1-24,47,54-55H,(H,48,56)(H,49,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;/q;2*+1/p-4",C46H33N7O16S4.xNa,,,,,,CUYKESUOUNQMLO-UHFFFAOYSA-J,,,,,,,,,,,
100.092.810,302-137-4,94094-37-8,"[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl] hydrogen succinate","4-[2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-4-oxobutanoic acid",OC(=O)CCC(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,OC(=O)CCC(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C21H21ClN2O6S/c22-16-3-1-15(2-4-16)19-11-12-24(23-19)17-5-7-18(8-6-17)31(28,29)14-13-30-21(27)10-9-20(25)26/h1-8H,9-14H2,(H,25,26)",C21H21ClN2O6S,,,,,,MXCCYYLUOIVZLE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.813,302-141-6,94094-40-3,"3,8-diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide","3,8-diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide",Br.Br.[Br-].C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,Br.Br.[Br-].C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,"InChI=1/C20H17N3.3BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;;;/h2-12,22H,21H2,1H3;3*1H",C20H18N3.2BrH.Br,,,,,,HBSQLQYPOGZIKY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.820,302-148-4,94094-47-0,Isopropyl 4-(4-aminophenyl)butyrate hydrochloride,isopropyl 4-(4-aminophenyl)butanoate hydrochloride,Cl.CC(C)OC(=O)CCCc1ccc(N)cc1,Cl.CC(C)OC(=O)CCCc1ccc(N)cc1,"InChI=1/C13H19NO2.ClH/c1-10(2)16-13(15)5-3-4-11-6-8-12(14)9-7-11;/h6-10H,3-5,14H2,1-2H3;1H",C13H19NO2.ClH,,,,,,GESOPNCBJZFTBM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.824,302-153-1,94094-51-6,N-[4-hydroxy-3-[3-[4-[2-morpholinoethoxy]phenyl]acryloyl]phenyl]benzenesulphonamide,N-(4-hydroxy-3-{3-[4-(2-morpholin-4-ylethoxy)phenyl]acryloyl}phenyl)benzenesulfonamide,Oc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)\\C=C\\c3ccc(OCCN4CCOCC4)cc3,Oc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)\C=C\c3ccc(OCCN4CCOCC4)cc3,"InChI=1/C27H28N2O6S/c30-26(12-8-21-6-10-23(11-7-21)35-19-16-29-14-17-34-18-15-29)25-20-22(9-13-27(25)31)28-36(32,33)24-4-2-1-3-5-24/h1-13,20,28,31H,14-19H2",C27H28N2O6S,,,,,,FXJJUOITYWTIIW-XYOKQWHBSA-N,,,,,,,,,,,
100.091.508,300-705-6,93962-67-5,1-(p-chlorophenyl)-3-(5-chloro-2-hydroxyphenyl)propan-1-ol,4-chloro-2-[3-(4-chlorophenyl)-3-hydroxypropyl]phenol,OC(CCc1cc(Cl)ccc1O)c2ccc(Cl)cc2,OC(CCc1cc(Cl)ccc1O)c2ccc(Cl)cc2,"InChI=1/C15H14Cl2O2/c16-12-4-1-10(2-5-12)14(18)7-3-11-9-13(17)6-8-15(11)19/h1-2,4-6,8-9,14,18-19H,3,7H2",C15H14Cl2O2,,,,,,ZRSNFMIYYITIIK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.513,300-710-3,93962-72-2,"1,4-diazoniabicyclo[2.2.2]octane bis(toluene-p-sulphonate)","1,4-diazoniabicyclo[2.2.2]octane bis(4-methylbenzenesulfonate)",Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].C3C[NH+]4CC[NH+]3CC4,Cc1ccc(cc1)S(=O)(=O)[O-].Cc2ccc(cc2)S(=O)(=O)[O-].C3C[NH+]4CC[NH+]3CC4,"InChI=1/2C7H8O3S.C6H12N2/c2*1-6-2-4-7(5-3-6)11(8,9)10;1-2-8-5-3-7(1)4-6-8/h2*2-5H,1H3,(H,8,9,10);1-6H2",C7H8O3S.1/2C6H12N2,,,,,,NUKKGWZEIYATPX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.520,300-718-7,93962-79-9,"(octahydro-4,7-methano-1H-indenediyl)dimethylene hydrogen succinate","4-{(1-{bis[(3-carboxylatopropanoyl)oxy]methyl}octahydro-1H-4,7-methanoinden-1-yl)[(3-carboxypropanoyl)oxy]methoxy}-4-oxobutanoate",OC(=O)CCC(=O)OC(OC(=O)CCC(=O)[O-])C1(CCC2C3CCC(C3)C12)C(OC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-],OC(=O)CCC(=O)OC(OC(=O)CCC(=O)[O-])C1(CCC2C3CCC(C3)C12)C(OC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-],"InChI=1/C28H36O16/c29-17(30)3-7-21(37)41-26(42-22(38)8-4-18(31)32)28(12-11-16-14-1-2-15(13-14)25(16)28)27(43-23(39)9-5-19(33)34)44-24(40)10-6-20(35)36/h14-16,25-27H,1-13H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)/p-3",C20H28O8,,,,,,TVGODUGMKUZHDW-UHFFFAOYSA-K,,,,,,,,,,,
100.091.533,300-732-3,93962-94-8,Cinnamylammonium hydrogen sulphate,3-phenylprop-2-en-1-aminium hydrogen sulfate,[NH3+]C\\C=C\\c1ccccc1.[O-]S(=O)(=O)[O-],[NH3+]C\C=C\c1ccccc1.[O-]S(=O)(=O)[O-],"InChI=1/C9H11N.H2O4S/c10-8-4-7-9-5-2-1-3-6-9;1-5(2,3)4/h1-7H,8,10H2;(H2,1,2,3,4)/p-1",C9H11N.H2O4S,,,,,,YVKHDDDYVORMSO-KQGICBIGSA-M,,,,,,,,,,,
100.091.535,300-734-4,93962-96-0,"Disodium 14-ethoxy-17-isopropylanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridin-5,10-diyl bis(sulphate)","disodium 14-ethoxy-17-isopropylanthra[2,1,9-mna]benzo[6,7]indazolo[2,3,4-fgh]acridine-5,10-diyl disulfate",[Na+].[Na+].CCOc1cccc2c(OS(=O)(=O)[O-])c3ccc4c5ccc6c(OS(=O)(=O)[O-])c7ccccc7c8cc(C(C)C)c(c5c68)n9nc(c12)c3c49,[Na+].[Na+].CCOc1cccc2c(OS(=O)(=O)[O-])c3ccc4c5ccc6c(OS(=O)(=O)[O-])c7ccccc7c8cc(C(C)C)c(c5c68)n9nc(c12)c3c49,"InChI=1/C36H26N2O9S2.2Na/c1-4-45-27-11-7-10-22-29(27)32-31-24(36(22)47-49(42,43)44)15-13-20-19-12-14-23-28-26(18-8-5-6-9-21(18)35(23)46-48(39,40)41)16-25(17(2)3)34(30(19)28)38(37-32)33(20)31;;/h5-17H,4H2,1-3H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C36H26N2O9S2.2Na,,,,,,WRBLIYGWSPTRCL-UHFFFAOYSA-L,,,,,,,,,,,
100.092.399,301-685-1,94030-79-2,4-cyanophenyl N-(4-cyanophenyl)benzenecarboximidate,4-cyanophenyl N-(4-cyanophenyl)benzenecarboximidoate,N#Cc3ccc(N=C(Oc1ccc(cc1)C#N)c2ccccc2)cc3,N#Cc3ccc(N=C(Oc1ccc(cc1)C#N)c2ccccc2)cc3,InChI=1/C21H13N3O/c22-14-16-6-10-19(11-7-16)24-21(18-4-2-1-3-5-18)25-20-12-8-17(15-23)9-13-20/h1-13H,C21H13N3O,,,,,,CHRNVUWHCUFYJB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.405,301-691-4,94030-86-1,"1-(2,6,6-trimethyl-2-cyclohexen-1-yl)hepta-1,6-dien-3-ol","1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-ol",C\\C1=C\\CCC(C)(C)C1C=CC(O)CCC=C,C\C1=C\CCC(C)(C)C1C=CC(O)CCC=C,"InChI=1/C16H26O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,14-15,17H,1,6-7,9,12H2,2-4H3",C16H26O,,,,,,CUUPRDMEAKEYAC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.407,301-694-0,94030-88-3,"(3ß,17ß)-17-methylandrost-5-ene-3,17-diyl bis(3-oxononanoate)","17-methylandrost-5-ene-3,17-diyl bis(3-oxononanoate)",CCCCCCC(=O)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)OC(=O)CC(=O)CCCCCC)[C@@H]3CC=C2C1,CCCCCCC(=O)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)OC(=O)CC(=O)CCCCCC)[C@@H]3CC=C2C1,"InChI=1/C38H60O6/c1-6-8-10-12-14-28(39)25-34(41)43-30-18-21-36(3)27(24-30)16-17-31-32(36)19-22-37(4)33(31)20-23-38(37,5)44-35(42)26-29(40)15-13-11-9-7-2/h16,30-33H,6-15,17-26H2,1-5H3",C38H60O6,,,,,,ASAWDXJIGAVOBY-KTGQPBQXSA-N,,,,,,,,,,,
100.092.410,301-697-7,94030-92-9,Potassium 5-(acetylamino)-1-hydroxy-2-naphthoate,potassium 5-acetamido-1-hydroxy-2-naphthoate,[K+].CC(=O)Nc1cccc2c(O)c(ccc12)C(=O)[O-],[K+].CC(=O)Nc1cccc2c(O)c(ccc12)C(=O)[O-],"InChI=1/C13H11NO4.K/c1-7(15)14-11-4-2-3-9-8(11)5-6-10(12(9)16)13(17)18;/h2-6,16H,1H3,(H,14,15)(H,17,18);/q;+1/p-1",C13H11NO4.K,,,,,,YMCKBVPFTSKEGS-UHFFFAOYSA-M,,,,,,,,,,,
100.092.417,301-704-3,94031-00-2,Bis[[(2-aminoethyl)amino]methyl]phenol,"2,3-bis{[(2-aminoethyl)amino]methyl}phenol",NCCNCc1cccc(O)c1CNCCN,NCCNCc1cccc(O)c1CNCCN,"InChI=1/C12H22N4O/c13-4-6-15-8-10-2-1-3-12(17)11(10)9-16-7-5-14/h1-3,15-17H,4-9,13-14H2",C12H22N4O,,,,,,CGMOQQQFLMKYAH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.421,301-709-0,94031-04-6,N-[2-[(2-hydroxyethyl)amino]ethyl]dimethyloctanamide,"N-{2-[(2-hydroxyethyl)amino]ethyl}-2,2-dimethyloctanamide",CCCCCCC(C)(C)C(=O)NCCNCCO,CCCCCCC(C)(C)C(=O)NCCNCCO,"InChI=1/C14H30N2O2/c1-4-5-6-7-8-14(2,3)13(18)16-10-9-15-11-12-17/h15,17H,4-12H2,1-3H3,(H,16,18)",C14H30N2O2,,,,,,JCGDBXIOQPBKGH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.436,301-725-8,94031-20-6,O-allyl-a-D-glucose,2-O-allyl-D-glucose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](OCC=C)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](OCC=C)C=O,"InChI=1/C9H16O6/c1-2-3-15-7(5-11)9(14)8(13)6(12)4-10/h2,5-10,12-14H,1,3-4H2",C9H16O6,,,,,,MNDYABMCSWWYEZ-BZNPZCIMSA-N,,,,,,,,,,,
100.068.900,275-813-9,71672-78-1,4-(benzoylethylamino)benzenediazonium tetrachlorozincate (2:1),bis{4-[benzoyl(ethyl)amino]benzenediazonium} tetrachlorozincate(2-),CCN(C(=O)c1ccccc1)c2ccc(cc2)[N+]#N.CCN(C(=O)c3ccccc3)c4ccc(cc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(C(=O)c1ccccc1)c2ccc(cc2)[N+]#N.CCN(C(=O)c3ccccc3)c4ccc(cc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C15H14N3O.4ClH.Zn/c2*1-2-18(14-10-8-13(17-16)9-11-14)15(19)12-6-4-3-5-7-12;;;;;/h2*3-11H,2H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C15H14N3O.Cl4Zn/c2*1-2-18(14-10-8-13(17-16)9-11-14)15(19)12-6-4-3-5-7-12;1-5(2,3)4/h2*3-11H,2H2,1H3;/q2*+1;-2",C15H14N3O.1/2Cl4Zn,,,,,,TYWIVEWZJQDGCF-UHFFFAOYSA-J,,,,,,,,,,,
100.068.903,275-817-0,71672-81-6,2-hydroxypropyl (R)-12-hydroxyoleate,2-hydroxypropyl 12-hydroxyoctadec-9-enoate,CCCCCC[C@@H](O)C\\C=C/CCCCCCCC(=O)OCC(C)O,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(C)O,"InChI=1/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3",C21H40O4,,,,,,JZSMZIOJUHECHW-GTJZZHROSA-N,,,,,,,,,,,
100.068.905,275-819-1,71672-83-8,2'-hydroxy-3-(2-hydroxypropoxy)-2-methylpropiophenone,1-(2-hydroxyphenyl)-3-(2-hydroxypropoxy)-2-methylpropan-1-one,CC(O)COCC(C)C(=O)c1ccccc1O,CC(O)COCC(C)C(=O)c1ccccc1O,"InChI=1/C13H18O4/c1-9(7-17-8-10(2)14)13(16)11-5-3-4-6-12(11)15/h3-6,9-10,14-15H,7-8H2,1-2H3",C13H18O4,,,,,,RXRMSNIQANCCAC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.913,275-828-0,71673-05-7,Potassium 2-[ethyl[3-methyl-4-[(6-methyl-2-benzothiazolyl)azo]phenyl]amino]ethanesulphonate,"potassium 2-(ethyl{3-methyl-4-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)ethanesulfonate",[K+].[O-]S(=O)(=O)CCN(CC)c3ccc(N=Nc1nc2ccc(C)cc2s1)c(C)c3,[K+].[O-]S(=O)(=O)CCN(CC)c3ccc(N=Nc1nc2ccc(C)cc2s1)c(C)c3,"InChI=1/C19H22N4O3S2.K/c1-4-23(9-10-28(24,25)26)15-6-8-16(14(3)12-15)21-22-19-20-17-7-5-13(2)11-18(17)27-19;/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25,26);/q;+1/p-1",C19H22N4O3S2.K,,,,,,NMWCZTXOMWLBFU-UHFFFAOYSA-M,,,,,,,,,,,
100.068.916,275-831-7,71675-85-9,Amisulpride,4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide,CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)CC,CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)CC,"InChI=1/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)",C17H27N3O4S,,,,,,NTJOBXMMWNYJFB-UHFFFAOYSA-N,Positive/Negative,AU214201|AU214202|AU214203|AU214204|AU214205;EA285201|EA285202|EA285203|EA285204|EA285205|EA285206|EA285207|EA285208|EA285209|EA285210|EA285211|EA285212|EA285213|EA285214,[M+H]+;[M+H]+,CID10|CID20|CID30|CID40|CID50;CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|CID35,370.181:242.0482:371.1827|370.181:371.1827:242.0484|242.0485:370.181:243.0509|196.0058:242.0485:243.0509|196.0058:242.048:214.0164;242.0482:112.1121:155.1179|370.1802:242.0502:277.1769|370.1797:242.048:112.112|242.0484:112.1122:370.181|242.0481:196.0063:112.1121|196.0063:242.0479:112.1121|196.0063:149.0471:168.0114|370.1799:242.0503:196.007|370.1799:242.0481:112.1121|242.0484:112.1122:370.1795|242.0484:196.0064:112.1121|196.0064:242.048:112.1121|196.0064:149.0472:168.0114|242.0481:112.1121:155.1179,Athens_Univ;Eawag,EA285251|EA285252|EA285253|EA285254|EA285255|EA285256|EA285258|EA285259|EA285260|EA285264,[M-H]-,CID35|HCD15|HCD30|HCD45|HCD60|HCD75|HCD15|HCD30|HCD45|CID35,340.1335:184.0437:186.0229|368.1661|368.1658:184.0432:156.0123|276.1733:340.1332:184.0438|134.0243:163.0519|134.0242|368.1646|368.1642:340.133:184.0437|276.1733:184.0437:156.0124|340.1338:184.0436:186.0228,Eawag
100.068.917,275-832-2,71675-86-0,4-amino-5-(ethylthio)-o-anisic acid,4-amino-5-(ethylsulfanyl)-2-methoxybenzoic acid,CCSc1cc(C(=O)O)c(OC)cc1N,CCSc1cc(C(=O)O)c(OC)cc1N,"InChI=1/C10H13NO3S/c1-3-15-9-4-6(10(12)13)8(14-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)",C10H13NO3S,,,,,,BVCKAIGDWABZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.162,268-398-0,68083-48-7,"Butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime","butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime",CC(CC)=NOC(=O)NC1CC(C)(CNC(=O)ON=C(C)CC)CC(C)(C)C1,CC(CC)=NOC(=O)NC1CC(C)(CNC(=O)ON=C(C)CC)CC(C)(C)C1,"InChI=1/C20H36N4O4/c1-8-14(3)23-27-17(25)21-13-20(7)11-16(10-19(5,6)12-20)22-18(26)28-24-15(4)9-2/h16H,8-13H2,1-7H3,(H,21,25)(H,22,26)",C20H36N4O4,,,,,,KYPAKYGHFWEDLY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.175,268-413-0,68083-99-8,"2-hydroxyethyl 2-benzyl-1,3-dioxolane-2-propionate","2-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate",OCCOC(=O)CCC1(Cc2ccccc2)OCCO1,OCCOC(=O)CCC1(Cc2ccccc2)OCCO1,"InChI=1/C15H20O5/c16-8-9-18-14(17)6-7-15(19-10-11-20-15)12-13-4-2-1-3-5-13/h1-5,16H,6-12H2",C15H20O5,,,,,,ISFIHGMRNGUEGX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.176,268-414-6,68084-00-4,"Methyl 2-benzyl-1,3-dioxolane-2-propionate","methyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate",COC(=O)CCC1(Cc2ccccc2)OCCO1,COC(=O)CCC1(Cc2ccccc2)OCCO1,"InChI=1/C14H18O4/c1-16-13(15)7-8-14(17-9-10-18-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3",C14H18O4,,,,,,BQGGHVZNRMUBRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.179,268-417-2,68084-04-8,3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile,3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbonitrile,CC(=CCCC1=CCCC(C1)C#N)C,CC(=CCCC1=CCCC(C1)C#N)C,"InChI=1/C13H19N/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,13H,3-4,6,8-9H2,1-2H3",C13H19N,,,,,,GEJOPKQYKGEUFA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.181,268-419-3,68084-07-1,2-methyl-5-oxo-1-cyclopenten-1-yl isovalerate,2-methyl-5-oxocyclopent-1-en-1-yl 3-methylbutanoate,CC(C)CC(=O)OC1=C(C)CCC1=O,CC(C)CC(=O)OC1=C(C)CCC1=O,"InChI=1/C11H16O3/c1-7(2)6-10(13)14-11-8(3)4-5-9(11)12/h7H,4-6H2,1-3H3",C11H16O3,,,,,,BMRCKURWGZUABP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.184,268-423-5,68084-11-7,"Disodium 7-[[4-[[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]azo]phenyl]azo]naphthalene-1,3-disulphonate","disodium 7-{[4-({2-methyl-4-[(4-nitrobenzoyl)amino]phenyl}diazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)C(=O)Nc5ccc(N=Nc4ccc(N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O)cc4)c(C)c5,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)C(=O)Nc5ccc(N=Nc4ccc(N=Nc2cc3c(cc(cc3cc2)S([O-])(=O)=O)S([O-])(=O)=O)cc4)c(C)c5,"InChI=1/C30H22N6O9S2.2Na/c1-18-14-23(31-30(37)19-3-11-25(12-4-19)36(38)39)10-13-28(18)35-33-22-8-6-21(7-9-22)32-34-24-5-2-20-15-26(46(40,41)42)17-29(27(20)16-24)47(43,44)45;;/h2-17H,1H3,(H,31,37)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C30H22N6O9S2.2Na,,,,,,YCJWJPQJBNUPKK-UHFFFAOYSA-L,,,,,,,,,,,
100.065.487,272-057-1,68677-06-5,Lorapride,4-amino-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzenesulfonamide,CCN1CCCC1CNS(=O)(=O)c2cc(Cl)c(N)cc2OC,CCN1CCCC1CNS(=O)(=O)c2cc(Cl)c(N)cc2OC,"InChI=1/C14H22ClN3O3S/c1-3-18-6-4-5-10(18)9-17-22(19,20)14-7-11(15)12(16)8-13(14)21-2/h7-8,10,17H,3-6,9,16H2,1-2H3",C14H22ClN3O3S,,,,,,YSWVLPFCGJOQQA-UHFFFAOYSA-N,,,,,,,,,,,
100.068.455,275-324-0,71317-52-7,Sodium hexacosyl sulphate,sodium hexacosyl sulfate,[Na+].CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C26H54O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29;/h2-26H2,1H3,(H,27,28,29);/q;+1/p-1",C26H54O4S.Na,,,,,,APTYBPOYHBMIED-UHFFFAOYSA-M,,,,,,,,,,,
100.068.463,275-332-4,71326-30-2,"N,N-bis(3-aminopropyl)-N',N'-dimethylpropane-1,3-diamine","N,N-bis(3-aminopropyl)-N',N'-dimethylpropane-1,3-diamine",CN(C)CCCN(CCCN)CCCN,CN(C)CCCN(CCCN)CCCN,"InChI=1/C11H28N4/c1-14(2)8-5-11-15(9-3-6-12)10-4-7-13/h3-13H2,1-2H3",C11H28N4,,,,,,NDYOVCQABQIDNF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.481,275-352-3,71348-47-5,"4-methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane","4-methyl-2-(1-methylbut-1-en-1-yl)-1,3-dioxolane",CCC=C(C)C1OC(C)CO1,CCC=C(C)C1OC(C)CO1,"InChI=1/C9H16O2/c1-4-5-7(2)9-10-6-8(3)11-9/h5,8-9H,4,6H2,1-3H3",C9H16O2,,,,,,UAGVSTISKXJXEM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.063,275-992-3,71766-23-9,"4-(p-hydroxyphenyl)-4-(p-tolyl)perhydroimidazole-2,5-dione","5-(4-hydroxyphenyl)-5-(4-methylphenyl)imidazolidine-2,4-dione",Cc1ccc(cc1)C2(NC(=O)NC2=O)c3ccc(O)cc3,Cc1ccc(cc1)C2(NC(=O)NC2=O)c3ccc(O)cc3,"InChI=1/C16H14N2O3/c1-10-2-4-11(5-3-10)16(14(20)17-15(21)18-16)12-6-8-13(19)9-7-12/h2-9,19H,1H3,(H2,17,18,20,21)",C16H14N2O3,,,,,,XEVMFQKRHMMSAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.066,275-996-5,71767-13-0,Iotasul,"5,5'-{sulfanediylbis[(1-oxopropane-3,1-diyl)imino]}bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethylisophthalamide]",CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)CCSCCC(=O)Nc2c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c(I)c(C(=O)N(C)CC(O)CO)c1I,CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)CCSCCC(=O)Nc2c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c2I)c(I)c(C(=O)N(C)CC(O)CO)c1I,"InChI=1/C38H50I6N6O14S/c1-47(9-17(55)13-51)35(61)23-27(39)24(36(62)48(2)10-18(56)14-52)30(42)33(29(23)41)45-21(59)5-7-65-8-6-22(60)46-34-31(43)25(37(63)49(3)11-19(57)15-53)28(40)26(32(34)44)38(64)50(4)12-20(58)16-54/h17-20,51-58H,5-16H2,1-4H3,(H,45,59)(H,46,60)",C38H50I6N6O14S,,,,,,OQHLOKBHRXMXLD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.067,275-997-0,71767-19-6,Pentasodium 5-[[6-amino-1-hydroxy-3-sulphonato-5-[(3-sulphonatophenyl)azo]-2-naphthyl]azo]-6-methoxy-8-[[7-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonate,pentasodium 7-amino-4-hydroxy-3-{[2-methoxy-6-sulfonato-4-({7-sulfonato-4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}-8-[(3-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc8ccc(N=Nc5cc(OC)c(N=Nc4c(cc3c(N=Nc2cccc(c2)S([O-])(=O)=O)c(N)ccc3c4O)S([O-])(=O)=O)c6ccc(cc56)S([O-])(=O)=O)c7cc(ccc78)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc8ccc(N=Nc5cc(OC)c(N=Nc4c(cc3c(N=Nc2cccc(c2)S([O-])(=O)=O)c(N)ccc3c4O)S([O-])(=O)=O)c6ccc(cc56)S([O-])(=O)=O)c7cc(ccc78)S([O-])(=O)=O,"InChI=1/C43H31N9O17S5.5Na/c1-69-38-21-37(49-48-36-15-14-35(28-10-8-26(18-31(28)36)72(60,61)62)47-45-22-4-2-6-24(16-22)70(54,55)56)32-19-27(73(63,64)65)9-11-29(32)41(38)51-52-42-39(74(66,67)68)20-33-30(43(42)53)12-13-34(44)40(33)50-46-23-5-3-7-25(17-23)71(57,58)59;;;;;/h2-21,53H,44H2,1H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;/q;5*+1/p-5",C43H31N9O17S5.5Na,,,,,,VOBGHAVLAYSSBT-UHFFFAOYSA-I,,,,,,,,,,,
100.069.070,276-000-1,71776-05-1,"2-nitrobenzene-1,4-diamine hydrochloride","2-nitrobenzene-1,4-diamine hydrochloride",Cl.Nc1ccc(N)c(c1)[N+](=O)[O-],Cl.Nc1ccc(N)c(c1)[N+](=O)[O-],"InChI=1/C6H7N3O2.ClH/c7-4-1-2-5(8)6(3-4)9(10)11;/h1-3H,7-8H2;1H",C6H7N3O2.xClH,,,,,,IWNDREUSBZJFSI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.087,276-019-5,71788-99-3,Hexadecyl hexadecenoate,hexadecyl hexadec-2-enoate,CCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C32H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30H,3-27,29,31H2,1-2H3",C32H62O2,,,,,,TYCWLPZLNYBZLD-UHFFFAOYSA-N,,,,,,,,,,,
100.068.498,275-371-7,71411-67-1,Diammonium suberate,diammonium suberate,[NH4+].[NH4+].[O-]C(=O)CCCCCCC(=O)[O-],[NH4+].[NH4+].[O-]C(=O)CCCCCCC(=O)[O-],"InChI=1/C8H14O4.2H3N/c9-7(10)5-3-1-2-4-6-8(11)12;;/h1-6H2,(H,9,10)(H,11,12);2*1H3",C8H14O4.2H3N,,,,,,SVKRTZCBJZSUJT-UHFFFAOYSA-N,,,,,,,,,,,
100.063.514,269-887-1,68385-96-6,"N-[2-[(2,6-dicyano-p-tolyl)azo]-5-(diethylamino)phenyl]methanesulphonamide","N-{2-[(2,6-dicyano-4-methylphenyl)diazenyl]-5-(diethylamino)phenyl}methanesulfonamide",CCN(CC)c2ccc(N=Nc1c(C#N)cc(C)cc1C#N)c(c2)NS(C)(=O)=O,CCN(CC)c2ccc(N=Nc1c(C#N)cc(C)cc1C#N)c(c2)NS(C)(=O)=O,"InChI=1/C20H22N6O2S/c1-5-26(6-2)17-7-8-18(19(11-17)25-29(4,27)28)23-24-20-15(12-21)9-14(3)10-16(20)13-22/h7-11,25H,5-6H2,1-4H3",C20H22N6O2S,,,,,,NSLHLMXJNOITEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.519,269-892-9,68389-47-9,"Phosphorodithioic acid, 2-ethylhexyl 2-methylpropyl ester",S-(2-ethylhexyl) O-isobutyl hydrogen dithiophosphate,CCCCC(CC)CSP(=O)(S)OCC(C)C,CCCCC(CC)CSP(=O)(S)OCC(C)C,"InChI=1/C12H27O2PS2/c1-5-7-8-12(6-2)10-17-15(13,16)14-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,13,16)",-,,,,,,XHIANSYMJWOVLO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.825,302-154-7,94094-52-7,N-[4-hydroxy-3-[3-[4-[2-(morpholin-4-yl)ethoxy]phenyl]-1-oxoallyl]phenyl]acetamide,N-(4-hydroxy-3-{3-[4-(2-morpholin-4-ylethoxy)phenyl]acryloyl}phenyl)acetamide,CC(=O)Nc1ccc(O)c(c1)C(=O)\\C=C\\c2ccc(OCCN3CCOCC3)cc2,CC(=O)Nc1ccc(O)c(c1)C(=O)\C=C\c2ccc(OCCN3CCOCC3)cc2,"InChI=1/C23H26N2O5/c1-17(26)24-19-5-9-23(28)21(16-19)22(27)8-4-18-2-6-20(7-3-18)30-15-12-25-10-13-29-14-11-25/h2-9,16,28H,10-15H2,1H3,(H,24,26)",C23H26N2O5,,,,,,RFROWBDDKBXKPH-XBXARRHUSA-N,,,,,,,,,,,
100.092.827,302-156-8,94094-54-9,4-[3-(5-acetamido-2-hydroxyphenyl)-3-oxo-propen-1-yl]benzoic acid,4-[3-(5-acetamido-2-hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzoic acid,O=C(C=Cc1ccc(cc1)C(O)=O)c2cc(ccc2O)NC(C)=O,O=C(C=Cc1ccc(cc1)C(O)=O)c2cc(ccc2O)NC(C)=O,"InChI=1/C18H15NO5/c1-11(20)19-14-7-9-17(22)15(10-14)16(21)8-4-12-2-5-13(6-3-12)18(23)24/h2-10,22H,1H3,(H,19,20)(H,23,24)",C18H15NO5,,,,,,PXFJWEXRMWNDBT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.831,302-161-5,94094-58-3,N-(3-acetyl-4-hydroxyphenyl)benzenesulphonamide,N-(3-acetyl-4-hydroxyphenyl)benzenesulfonamide,CC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1O,CC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1O,"InChI=1/C14H13NO4S/c1-10(16)13-9-11(7-8-14(13)17)15-20(18,19)12-5-3-2-4-6-12/h2-9,15,17H,1H3",C14H13NO4S,,,,,,RHTBRALULSRRQX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.840,302-170-4,94094-69-6,N-(4-butylphenyl)-4-[(4-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide,N-(4-butylphenyl)-4-[(4-chloro-2-methylphenyl)diazenyl]-3-hydroxy-2-naphthamide,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(CCCC)cc1)c2O)cc4,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccc(CCCC)cc1)c2O)cc4,"InChI=1/C28H26ClN3O2/c1-3-4-7-19-10-13-22(14-11-19)30-28(34)24-17-20-8-5-6-9-23(20)26(27(24)33)32-31-25-15-12-21(29)16-18(25)2/h5-6,8-17,33H,3-4,7H2,1-2H3,(H,30,34)",C28H26ClN3O2,,,,,,KWRCSJORDFKKLN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.879,298-915-5,93840-50-7,N-(3-aminopropyl)-N-hexadecyl-D-gluconamide,"N-(3-aminopropyl)-N-hexadecyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C25H52N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27(19-16-17-26)25(33)24(32)23(31)22(30)21(29)20-28/h21-24,28-32H,2-20,26H2,1H3",C25H52N2O6,,,,,,DQRMTKNPGLJJBZ-JLLPCOHGSA-N,,,,,,,,,,,
100.089.895,298-932-8,93840-67-6,2-methyl-1H-imidazole sulphate,2-methyl-1H-imidazole sulfate,Cc1ncc[nH]1.OS(=O)(=O)O,Cc1ncc[nH]1.OS(=O)(=O)O,"InChI=1/C4H6N2.H2O4S/c1-4-5-2-3-6-4;1-5(2,3)4/h2-3H,1H3,(H,5,6);(H2,1,2,3,4)",C4H6N2.xH2O4S,,,,,,LQJVFZGMRYJPNB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.898,298-935-4,93840-70-1,2-hydroxytriacontyl 12-hydroxyoctadecanoate,2-hydroxytriacontyl 12-hydroxyoctadecanoate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C48H96O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-35-39-43-47(50)45-52-48(51)44-40-36-33-30-29-31-34-38-42-46(49)41-37-8-6-4-2/h46-47,49-50H,3-45H2,1-2H3",C48H96O4,,,,,,YOCODWKDRYTJHK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.115,299-174-0,93857-40-0,Sodium 3-deoxy-D-arabino-hexonate,"sodium 2,4,5,6-tetrahydroxyhexanoate (non-preferred name)",[Na+].OC[C@@H](O)[C@@H](O)C[C@H](O)C(=O)[O-],[Na+].OC[C@@H](O)[C@@H](O)C[C@H](O)C(=O)[O-],"InChI=1/C6H12O6.Na/c7-2-5(10)3(8)1-4(9)6(11)12;/h3-5,7-10H,1-2H2,(H,11,12);/q;+1/p-1",C6H12O6.Na,,,,,,ZRBXQRZQHABLKN-ASMLCRKRSA-M,,,,,,,,,,,
100.090.116,299-175-6,93857-41-1,Sodium 3-deoxygluconate,"sodium 2,4,5,6-tetrahydroxyhexanoate (non-preferred name)",[Na+].OC[C@@H](O)[C@H](O)C[C@@H](O)C(=O)[O-],[Na+].OC[C@@H](O)[C@H](O)C[C@@H](O)C(=O)[O-],"InChI=1/C6H12O6.Na/c7-2-5(10)3(8)1-4(9)6(11)12;/h3-5,7-10H,1-2H2,(H,11,12);/q;+1/p-1",C6H12O6.Na,,,,,,ZRBXQRZQHABLKN-DEVUXVJFSA-M,,,,,,,,,,,
100.078.514,286-396-8,85226-25-1,"(3-chloropropyl)(3,4-dimethoxyphenethyl)methylammonium hydrogen oxalate","3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-aminium hydrogen oxalate",COc1ccc(CC[NH+](C)CCCCl)cc1OC.[O-]C(=O)C(=O)[O-],COc1ccc(CC[NH+](C)CCCCl)cc1OC.[O-]C(=O)C(=O)[O-],"InChI=1/C14H22ClNO2.C2H2O4/c1-16(9-4-8-15)10-7-12-5-6-13(17-2)14(11-12)18-3;3-1(4)2(5)6/h5-6,11H,4,7-10H2,1-3H3;(H,3,4)(H,5,6)/p-1",C14H22ClNO2.C2H2O4,,,,,,RHWJLYYZGLGWDX-UHFFFAOYSA-M,,,,,,,,,,,
100.078.532,286-416-5,85237-56-5,3-amino-4-hydroxy-N-methylbenzenesulphonamide monohydrochloride,3-amino-4-hydroxy-N-methylbenzenesulfonamide hydrochloride,Cl.CNS(=O)(=O)c1ccc(O)c(N)c1,Cl.CNS(=O)(=O)c1ccc(O)c(N)c1,"InChI=1/C7H10N2O3S.ClH/c1-9-13(11,12)5-2-3-7(10)6(8)4-5;/h2-4,9-10H,8H2,1H3;1H",C7H10N2O3S.ClH,,,,,,GHHAVLSLVYARGK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.533,286-417-0,85237-57-6,2-amino-5-[(3-amino-4-hydroxybenzoyl)amino]benzoic acid,2-amino-5-[(3-amino-4-hydroxybenzoyl)amino]benzoic acid,Nc1cc(ccc1O)C(=O)Nc2ccc(N)c(c2)C(=O)O,Nc1cc(ccc1O)C(=O)Nc2ccc(N)c(c2)C(=O)O,"InChI=1/C14H13N3O4/c15-10-3-2-8(6-9(10)14(20)21)17-13(19)7-1-4-12(18)11(16)5-7/h1-6,18H,15-16H2,(H,17,19)(H,20,21)",C14H13N3O4,,,,,,RGWHLIHIFDDLTL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.536,286-420-7,85237-60-1,5-acetamido-2-hydroxy-3-nitrobenzenesulphonic acid,5-acetamido-2-hydroxy-3-nitrobenzenesulfonic acid,CC(=O)Nc1cc(c(O)c(c1)S(=O)(=O)O)[N+](=O)[O-],CC(=O)Nc1cc(c(O)c(c1)S(=O)(=O)O)[N+](=O)[O-],"InChI=1/C8H8N2O7S/c1-4(11)9-5-2-6(10(13)14)8(12)7(3-5)18(15,16)17/h2-3,12H,1H3,(H,9,11)(H,15,16,17)",C8H8N2O7S,,,,,,GLJSOFXMPBZIEI-UHFFFAOYSA-N,,,,,,,,,,,
100.086.317,294-989-8,91772-19-9,"m-(1,2,3,4-thiatriazol-5-ylamino)benzenesulphonamide","3-(1,2,3,4-thiatriazol-5-ylamino)benzenesulfonamide",NS(=O)(=O)c1cccc(Nc2nnns2)c1,NS(=O)(=O)c1cccc(Nc2nnns2)c1,"InChI=1/C7H7N5O2S2/c8-16(13,14)6-3-1-2-5(4-6)9-7-10-11-12-15-7/h1-4H,(H2,8,13,14)(H,9,10,12)",C7H7N5O2S2,,,,,,HAFIWJCIEXADLM-UHFFFAOYSA-N,,,,,,,,,,,
100.086.319,294-991-9,91772-41-7,"O,O-dimethyl [[(ethoxyethylphosphinothioyl)oxy]methyl]phosphonate",dimethyl ({[ethoxy(ethyl)phosphorothioyl]oxy}methyl)phosphonate,CCOP(=S)(CC)OCP(=O)(OC)OC,CCOP(=S)(CC)OCP(=O)(OC)OC,"InChI=1/C7H18O5P2S/c1-5-11-14(15,6-2)12-7-13(8,9-3)10-4/h5-7H2,1-4H3",C7H18O4P2S2,,,,,,BCMQJQGAXGJCHO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.928,286-851-0,85391-94-2,2-[[2-(2-hydroxyethoxy)ethyl]thio]ethanol,2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethanol,OCCOCCSCCO,OCCOCCSCCO,"InChI=1/C6H14O3S/c7-1-3-9-4-6-10-5-2-8/h7-8H,1-6H2",C6H14O3S,,,,,,LXGFOHOXYOCIDT-UHFFFAOYSA-N,,,,,,,,,,,
100.078.929,286-852-6,85391-95-3,"2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl 3-hydroxypivalate","3-(isobutyryloxy)-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate",CC(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)CO,CC(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)CO,"InChI=1/C14H26O5/c1-10(2)11(16)18-8-13(3,4)9-19-12(17)14(5,6)7-15/h10,15H,7-9H2,1-6H3",C14H26O5,,,,,,YOGYDRXODPAZFW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.930,286-853-1,85391-96-4,"Trisodium 1,3,5-triazine-2,4,6-trisulphonate","trisodium 1,3,5-triazine-2,4,6-trisulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1nc(nc(n1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1nc(nc(n1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C3H3N3O9S3.3Na/c7-16(8,9)1-4-2(17(10,11)12)6-3(5-1)18(13,14)15;;;/h(H,7,8,9)(H,10,11,12)(H,13,14,15);;;/q;3*+1/p-3",C3H3N3O9S3.3Na,,,,,,PTWBWTHLDIERJK-UHFFFAOYSA-K,,,,,,,,,,,
100.078.934,286-857-3,85392-00-3,"2,3-dihydro-2-methyl-1H-indol-1-amine monomethanesulphonate",2-methylindolin-1-amine methanesulfonate,CC1Cc2ccccc2N1N.CS(=O)(=O)O,CC1Cc2ccccc2N1N.CS(=O)(=O)O,"InChI=1/C9H12N2.CH4O3S/c1-7-6-8-4-2-3-5-9(8)11(7)10;1-5(2,3)4/h2-5,7H,6,10H2,1H3;1H3,(H,2,3,4)",C9H12N2.CH4O3S,,,,,,AABDXUWNJVGEES-UHFFFAOYSA-N,,,,,,,,,,,
100.078.937,286-861-5,85392-03-6,5-decenoic acid,dec-5-enoic acid,OC(=O)CCCC=CCCCC,OC(=O)CCCC=CCCCC,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-6H,2-4,7-9H2,1H3,(H,11,12)",C10H18O2,,,,,,UJUXUEKQHBXUEM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.942,286-866-2,85392-08-1,"5-(2,2,2-trichloro-1-hydroxyethyl)salicylic acid","2-hydroxy-5-(2,2,2-trichloro-1-hydroxyethyl)benzoic acid",OC(c1ccc(O)c(c1)C(=O)O)C(Cl)(Cl)Cl,OC(c1ccc(O)c(c1)C(=O)O)C(Cl)(Cl)Cl,"InChI=1/C9H7Cl3O4/c10-9(11,12)7(14)4-1-2-6(13)5(3-4)8(15)16/h1-3,7,13-14H,(H,15,16)",C9H7Cl3O4,,,,,,NDWAAEWOLHYURY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.955,286-880-9,85392-22-9,"2,6-bis(butylamino)-4-methyl-5-[[4-nitro-2-[3-(2-propoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]azo]nicotinonitrile","2,6-bis(butylamino)-4-methyl-5-({4-nitro-2-[3-(2-propoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl}diazenyl)nicotinonitrile",[O-][N+](=O)c3cc(c1nc(CCOCCC)no1)c(N=Nc2c(C)c(C#N)c(NCCCC)nc2NCCCC)cc3,[O-][N+](=O)c3cc(c1nc(CCOCCC)no1)c(N=Nc2c(C)c(C#N)c(NCCCC)nc2NCCCC)cc3,"InChI=1/C28H37N9O4/c1-5-8-13-30-26-22(18-29)19(4)25(27(33-26)31-14-9-6-2)35-34-23-11-10-20(37(38)39)17-21(23)28-32-24(36-41-28)12-16-40-15-7-3/h10-11,17H,5-9,12-16H2,1-4H3,(H2,30,31,33)",C28H37N9O4,,,,,,QBQPHOGKJGVMQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.960,286-886-1,85392-27-4,(2-chlorophenyl)methyl 4-hydroxybenzoate,2-chlorobenzyl 4-hydroxybenzoate,Oc1ccc(cc1)C(=O)OCc2ccccc2Cl,Oc1ccc(cc1)C(=O)OCc2ccccc2Cl,"InChI=1/C14H11ClO3/c15-13-4-2-1-3-11(13)9-18-14(17)10-5-7-12(16)8-6-10/h1-8,16H,9H2",C14H11ClO3,,,,,,ZDAAPEPLJTXHQY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.545,300-745-4,93963-06-5,"Sodium [2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]acetate","sodium [2-(2-undecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]acetate",[Na+].CCCCCCCCCCCC1=NCCN1CCOCC(=O)[O-],[Na+].CCCCCCCCCCCC1=NCCN1CCOCC(=O)[O-],"InChI=1/C18H34N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17)14-15-23-16-18(21)22;/h2-16H2,1H3,(H,21,22);/q;+1/p-1",C18H34N2O3.Na,,,,,,KQXWIQRUJQQXFG-UHFFFAOYSA-M,,,,,,,,,,,
100.091.548,300-749-6,93963-09-8,1-ethylhept-4-enyl acetate,1-ethylhept-4-en-1-yl acetate,CCC(CCC=CCC)OC(C)=O,CCC(CCC=CCC)OC(C)=O,"InChI=1/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h6-7,11H,4-5,8-9H2,1-3H3",C12H22O2,,,,,,PQEGICQGPZVNDX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.555,300-756-4,93963-16-7,"3-(5-norbornen-2-yl)-2,4-dioxaspiro[5.5]undec-8-ene","3-bicyclo[2.2.1]hept-5-en-2-yl-2,4-dioxaspiro[5.5]undec-8-ene",C1CC2(COC(OC2)C3CC4CC3C=C4)CC=C1,C1CC2(COC(OC2)C3CC4CC3C=C4)CC=C1,"InChI=1/C16H22O2/c1-2-6-16(7-3-1)10-17-15(18-11-16)14-9-12-4-5-13(14)8-12/h1-2,4-5,12-15H,3,6-11H2",C16H22O2,,,,,,TVXXSLADYXYNTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.564,300-766-9,93963-25-8,"Sodium (5a)-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-6-sulphonate","sodium 3,6-dihydroxy-17-methyl-4,5-epoxymorphinan-6-sulfonate",[Na+].CN1CC[C@@]23[C@H]4CCC(O)([C@@H]2Oc5c(O)ccc(C[C@@H]14)c35)S(=O)(=O)[O-],[Na+].CN1CC[C@@]23[C@H]4CCC(O)([C@@H]2Oc5c(O)ccc(C[C@@H]14)c35)S(=O)(=O)[O-],"InChI=1/C17H21NO6S.Na/c1-18-7-6-16-10-4-5-17(20,25(21,22)23)15(16)24-14-12(19)3-2-9(13(14)16)8-11(10)18;/h2-3,10-11,15,19-20H,4-8H2,1H3,(H,21,22,23);/q;+1/p-1",C17H21NO6S.Na,,,,,,ICKYFCLZEJHRFB-RKNHQSIYSA-M,,,,,,,,,,,
100.062.185,268-424-0,68084-12-8,"Trisodium 7-[[4-[[2-methyl-4-[(sulphonatomethyl)amino]phenyl]azo]phenyl]azo]naphthalene-1,3-disulphonate","trisodium 7-{[4-({2-methyl-4-[(sulfonatomethyl)amino]phenyl}diazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc4ccc(N=Nc3ccc(cc3C)NCS([O-])(=O)=O)cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(cc12)N=Nc4ccc(N=Nc3ccc(cc3C)NCS([O-])(=O)=O)cc4)S([O-])(=O)=O,"InChI=1/C24H21N5O9S3.3Na/c1-15-10-19(25-14-39(30,31)32)8-9-23(15)29-27-18-6-4-17(5-7-18)26-28-20-3-2-16-11-21(40(33,34)35)13-24(22(16)12-20)41(36,37)38;;;/h2-13,25H,14H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3",C24H21N5O9S3.3Na,,,,,,UZJORLYSHGJKKO-UHFFFAOYSA-K,,,,,,,,,,,
100.062.197,268-437-1,68084-32-2,"Bis(2,4,6-tribromophenyl) maleate","bis(2,4,6-tribromophenyl) but-2-enedioate",Brc1cc(Br)c(OC(=O)\\C=C/C(=O)Oc2c(Br)cc(Br)cc2Br)c(Br)c1,Brc1cc(Br)c(OC(=O)\C=C/C(=O)Oc2c(Br)cc(Br)cc2Br)c(Br)c1,InChI=1/C16H6Br6O4/c17-7-3-9(19)15(10(20)4-7)25-13(23)1-2-14(24)26-16-11(21)5-8(18)6-12(16)22/h1-6H,C16H6Br6O4,,,,,,YLJNTEPTKSJUFE-UPHRSURJSA-N,,,,,,,,,,,
100.062.202,268-442-9,68084-52-6,Dimethylcyclohexenecarbaldehyde,"2,3-dimethylcyclohex-1-ene-1-carbaldehyde",CC1CCCC(=C1C)C=O,CC1CCCC(=C1C)C=O,"InChI=1/C9H14O/c1-7-4-3-5-9(6-10)8(7)2/h6-7H,3-5H2,1-2H3",C9H14O,,,,,,VFSCATCVWVDKAP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.042,274-869-1,70776-26-0,Bis(2-chlorooctyl) disulphide,"1,1'-disulfanediylbis(2-chlorooctane)",CCCCCCC(Cl)CSSCC(Cl)CCCCCC,CCCCCCC(Cl)CSSCC(Cl)CCCCCC,"InChI=1/C16H32Cl2S2/c1-3-5-7-9-11-15(17)13-19-20-14-16(18)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3",C16H32Cl2S2,,,,,,XVSUBHTWVKBFEH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.058,274-886-4,70780-21-1,"2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxy-1H-indene-1,3(2H)-dione","2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxy-1H-indene-1,3(2H)-dione",COc1ccc(cc1OC)C(=O)CC2(O)C(=O)c3ccccc3C2=O,COc1ccc(cc1OC)C(=O)CC2(O)C(=O)c3ccccc3C2=O,"InChI=1/C19H16O6/c1-24-15-8-7-11(9-16(15)25-2)14(20)10-19(23)17(21)12-5-3-4-6-13(12)18(19)22/h3-9,23H,10H2,1-2H3",C19H16O6,,,,,,JHBFGEOIOJLSIR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.060,274-889-0,70783-45-8,p-morpholino-a-(trifluoromethyl)benzyl alcohol,"2,2,2-trifluoro-1-(4-morpholin-4-ylphenyl)ethanol",OC(c1ccc(cc1)N2CCOCC2)C(F)(F)F,OC(c1ccc(cc1)N2CCOCC2)C(F)(F)F,"InChI=1/C12H14F3NO2/c13-12(14,15)11(17)9-1-3-10(4-2-9)16-5-7-18-8-6-16/h1-4,11,17H,5-8H2",C12H14F3NO2,,,,,,XYMJLTSIWLKJAR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.068,274-897-4,70795-75-4,"(E)-3,7-dimethyloct-2-enyl acetate","3,7-dimethyloct-2-en-1-yl acetate",CC(C)CCC\\C(=C\\COC(=O)C)\\C,CC(C)CCC\C(=C\COC(=O)C)\C,"InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h8,10H,5-7,9H2,1-4H3",C12H22O2,,,,,,LZLOAANJNAQPIH-DHZHZOJOSA-N,,,,,,,,,,,
100.068.076,274-907-7,70815-11-1,(Z)-N-(2-hydroxyethyl)-N-[2-[[2-[(2-hydroxyethyl)amino]ethyl]amino]ethyl]-9-octadecenamide,N-(2-hydroxyethyl)-N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)ethyl]octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCO)CCNCCNCCO,CCCCCCCC\C=C/CCCCCCCC(=O)N(CCO)CCNCCNCCO,"InChI=1/C26H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)29(23-25-31)22-20-27-18-19-28-21-24-30/h9-10,27-28,30-31H,2-8,11-25H2,1H3",C26H53N3O3,,,,,,WXOWRDPCPRCZJX-KTKRTIGZSA-N,,,,,,,,,,,
100.068.930,275-846-9,71686-04-9,Trilithium 5-sulphonatoisophthalate,trilithium 5-sulfonatoisophthalate,[Li+].[Li+].[Li+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)[O-],[Li+].[Li+].[Li+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)[O-],"InChI=1/C8H6O7S.3Li/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;/q;3*+1/p-3",C8H6O7S.3Li,,,,,,BPNLWMVYWANZTO-UHFFFAOYSA-K,,,,,,,,,,,
100.068.932,275-849-5,71686-38-9,"Exo-(+)-1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol","1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C)CC2(C)CC1CC2O,CC1(C)CC2(C)CC1CC2O,"InChI=1/C10H18O/c1-9(2)6-10(3)5-7(9)4-8(10)11/h7-8,11H,4-6H2,1-3H3",C10H18O,,,,,,QNNGNRWQCQDOMF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.950,275-868-9,71701-24-1,N-[4-[[2-hydroxy-5-(tert-pentyl)phenyl]azo]phenyl]benzamide,"N-(4-{[5-(1,1-dimethylpropyl)-2-hydroxyphenyl]diazenyl}phenyl)benzamide",Oc3ccc(cc3N=Nc2ccc(NC(=O)c1ccccc1)cc2)C(C)(C)CC,Oc3ccc(cc3N=Nc2ccc(NC(=O)c1ccccc1)cc2)C(C)(C)CC,"InChI=1/C24H25N3O2/c1-4-24(2,3)18-10-15-22(28)21(16-18)27-26-20-13-11-19(12-14-20)25-23(29)17-8-6-5-7-9-17/h5-16,28H,4H2,1-3H3,(H,25,29)",C24H25N3O2,,,,,,WLUVWTKZMJBXGT-UHFFFAOYSA-N,,,,,,,,,,,
100.068.953,275-872-0,71701-27-4,"Sodium 2-[[[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxyphenyl]sulphonyl]amino]benzoate","sodium 2-[({4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]phenyl}sulfonyl)amino]benzoate",[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)cc3,[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)cc3,"InChI=1/C23H19N5O6S.Na/c1-14-21(22(30)28(26-14)15-7-3-2-4-8-15)25-24-19-13-16(11-12-20(19)29)35(33,34)27-18-10-6-5-9-17(18)23(31)32;/h2-13,21,27,29H,1H3,(H,31,32);/q;+1/p-1",C23H19N5O6S.Na,,,,,,GRADMCJSNNIAPB-UHFFFAOYSA-M,,,,,,,,,,,
100.069.094,276-026-3,71799-41-2,7-chloroquinolin-4-ol hydrochloride,7-chloroquinolin-4-ol hydrochloride,Cl.Oc1ccnc2cc(Cl)ccc12,Cl.Oc1ccnc2cc(Cl)ccc12,"InChI=1/C9H6ClNO.ClH/c10-6-1-2-7-8(5-6)11-4-3-9(7)12;/h1-5H,(H,11,12);1H",C9H6ClNO.ClH,,,,,,WWTBOTMEKMKBPN-UHFFFAOYSA-N,,,,,,,,,,,
100.069.095,276-027-9,71799-43-4,"Disodium 2,2'-[(2,4-dihydroxy-1,3-phenylene)bis(azo-4,1-phenyleneimino)]bis(5-nitrobenzenesulphonate)","disodium 2,2'-[(2,4-dihydroxy-1,3-phenylene)bis(diazene-2,1-diyl-4,1-phenyleneimino)]bis(5-nitrobenzenesulfonate)",[Na+].[Na+].Oc3c(ccc(O)c3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)N=Nc5ccc(Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O)cc5,[Na+].[Na+].Oc3c(ccc(O)c3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)N=Nc5ccc(Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O)cc5,"InChI=1/C30H22N8O12S2.2Na/c39-26-14-13-25(35-33-19-5-1-17(2-6-19)31-23-11-9-21(37(41)42)15-27(23)51(45,46)47)30(40)29(26)36-34-20-7-3-18(4-8-20)32-24-12-10-22(38(43)44)16-28(24)52(48,49)50;;/h1-16,31-32,39-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C30H22N8O12S2.2Na,,,,,,GYVPMHHWPSYINH-UHFFFAOYSA-L,,,,,,,,,,,
100.069.114,276-048-3,71832-33-2,Ethyl(5-isocyanato-2-methylphenyl)carbamoyl chloride,ethyl(5-isocyanato-2-methylphenyl)carbamic chloride,CCN(C(Cl)=O)c1cc(ccc1C)/N=C=O,CCN(C(Cl)=O)c1cc(ccc1C)/N=C=O,"InChI=1/C11H11ClN2O2/c1-3-14(11(12)16)10-6-9(13-7-15)5-4-8(10)2/h4-6H,3H2,1-2H3",C11H11ClN2O2,,,,,,JZKGLBABVFZFIL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.116,276-050-4,71832-70-7,Oxydiethylene bis[[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate],oxydiethylene bis[[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate],O=C([O-])Nc1ccc(cc1)Cc2ccc(\\N=C=O)cc2.C=COC=C.O=C=N/c1ccc(cc1)Cc2ccc(NC([O-])=O)cc2,O=C([O-])Nc1ccc(cc1)Cc2ccc(\N=C=O)cc2.C=COC=C.O=C=N/c1ccc(cc1)Cc2ccc(NC([O-])=O)cc2,"InChI=1/2C15H12N2O3.C4H6O/c2*18-10-16-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)17-15(19)20;1-3-5-4-2/h2*1-8,17H,9H2,(H,19,20);3-4H,1-2H2/p-2",C34H30N4O7,,,,,,PYICLPBQNHOISJ-UHFFFAOYSA-L,,,,,,,,,,,
100.069.123,276-058-8,71837-87-1,"Methyl (3a,5ß,7a)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate",methyl 7-acetoxy-3-hydroxy-12-oxocholan-24-oate,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C)OC(=O)C,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C)OC(=O)C,"InChI=1/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3",C27H42O6,,,,,,MWUBEKFSCVGPKW-OYYDADKJSA-N,,,,,,,,,,,
100.063.539,269-914-7,68390-96-5,"Hydrocarbons, C3, chloro",1-chloropropane,CCCCl,CCCCl,"InChI=1/C3H7Cl/c1-2-3-4/h2-3H2,1H3",-,,,,,,SNMVRZFUUCLYTO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.559,269-936-7,68391-25-3,1-[[4-[(4-aminophenyl)methyl]phenyl]amino]-3-phenoxypropan-2-ol,1-{[4-(4-aminobenzyl)phenyl]amino}-3-phenoxypropan-2-ol,Nc1ccc(Cc2ccc(NCC(O)COc3ccccc3)cc2)cc1,Nc1ccc(Cc2ccc(NCC(O)COc3ccccc3)cc2)cc1,"InChI=1/C22H24N2O2/c23-19-10-6-17(7-11-19)14-18-8-12-20(13-9-18)24-15-21(25)16-26-22-4-2-1-3-5-22/h1-13,21,24-25H,14-16,23H2",C22H24N2O2,,,,,,MLUQNLFGONTXMM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.563,269-940-9,68391-29-7,"2,3,5,5-tetramethylhexanal","2,3,5,5-tetramethylhexanal",CC(CC(C)(C)C)C(C)C=O,CC(CC(C)(C)C)C(C)C=O,"InChI=1/C10H20O/c1-8(9(2)7-11)6-10(3,4)5/h7-9H,6H2,1-5H3",C10H20O,,,,,,COJYJCJUBHUSDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.565,269-943-5,68391-31-1,"3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride","N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]anilinium chloride",[Cl-].C[N+](C)(C)c1cccc(c1)N=NC3C(\\C)=N/N(c2ccccc2)C3=O,[Cl-].C[N+](C)(C)c1cccc(c1)N=NC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C19H22N5O.ClH/c1-14-18(19(25)23(22-14)16-10-6-5-7-11-16)21-20-15-9-8-12-17(13-15)24(2,3)4;/h5-13,18H,1-4H3;1H/q+1;/p-1",C19H22N5O.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17312,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.565,NWKBFCIAPOSTKG-UHFFFAOYSA-M,,,,,,,,,,,
100.063.569,269-947-7,68391-39-9,"4-methyl-2-octyl-1,3-dioxolane","4-methyl-2-octyl-1,3-dioxolane",CCCCCCCCC1OCC(C)O1,CCCCCCCCC1OCC(C)O1,"InChI=1/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3",C12H24O2,,,,,,AGNUIQKIUPCFET-UHFFFAOYSA-N,,,,,,,,,,,
100.063.571,269-949-8,68391-41-3,2-chloroethyl(diethyl)ammonium sulphate (2:1),"bis(2-chloro-N,N-diethylethanaminium) sulfate",CC[NH+](CC)CCCl.CC[NH+](CC)CCCl.[O-]S(=O)(=O)[O-],CC[NH+](CC)CCCl.CC[NH+](CC)CCCl.[O-]S(=O)(=O)[O-],"InChI=1/2C6H14ClN.H2O4S/c2*1-3-8(4-2)6-5-7;1-5(2,3)4/h2*3-6H2,1-2H3;(H2,1,2,3,4)",C6H14ClN.1/2H2O4S,,,,,,UIUAIPTVOSBSOO-UHFFFAOYSA-N,,,,,,,,,,,
100.063.572,269-950-3,68391-42-4,3-[[2-(acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile,2-[(2-cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl acetate,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(C)=O)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(C)=O)cc2,"InChI=1/C19H19N5O4/c1-15(25)28-14-13-23(12-2-11-20)18-7-3-16(4-8-18)21-22-17-5-9-19(10-6-17)24(26)27/h3-10H,2,12-14H2,1H3",C19H19N5O4,,,,,,QLRDACXDRLGLOC-UHFFFAOYSA-N,,,,,,,,,,,
100.063.575,269-954-5,68391-45-7,"2,6-dichloro-4-nitrobenzenediazonium sulphate (2:1)","bis(2,6-dichloro-4-nitrobenzenediazonium) sulfate",[O-][N+](=O)c1cc(Cl)c([N+]#N)c(Cl)c1.[O-][N+](=O)c2cc(Cl)c([N+]#N)c(Cl)c2.[O-]S(=O)(=O)[O-],[O-][N+](=O)c1cc(Cl)c([N+]#N)c(Cl)c1.[O-][N+](=O)c2cc(Cl)c([N+]#N)c(Cl)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H2Cl2N3O2.H2O4S/c2*7-4-1-3(11(12)13)2-5(8)6(4)10-9;1-5(2,3)4/h2*1-2H;(H2,1,2,3,4)/q2*+1;/p-2",C6H2Cl2N3O2.1/2O4S,,,,,,WWJQBZKVNWWHCT-UHFFFAOYSA-L,,,,,,,,,,,
100.078.537,286-421-2,85237-61-2,2-acetamido-5-[[(phenylamino)carbonyl]amino]benzoic acid,2-acetamido-5-[(phenylcarbamoyl)amino]benzoic acid,CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)O,CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)O,"InChI=1/C16H15N3O4/c1-10(20)17-14-8-7-12(9-13(14)15(21)22)19-16(23)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H,21,22)(H2,18,19,23)",C16H15N3O4,,,,,,COOFKYGVLDDFCE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.538,286-422-8,85237-62-3,N-methyl-3-(2-pyridyl)piperidine,2-(1-methylpiperidin-3-yl)pyridine,CN1CCCC(C1)c2ccccn2,CN1CCCC(C1)c2ccccn2,"InChI=1/C11H16N2/c1-13-8-4-5-10(9-13)11-6-2-3-7-12-11/h2-3,6-7,10H,4-5,8-9H2,1H3",C11H16N2,,,,,,QSRDMJLZGFNRPM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.542,286-427-5,85237-66-7,2-(p-tolyl)piperidine,2-(4-methylphenyl)piperidine,Cc1ccc(cc1)C2CCCCN2,Cc1ccc(cc1)C2CCCCN2,"InChI=1/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3",C12H17N,,,,,,RPMPQNRTPBUGIW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.543,286-428-0,85237-67-8,3-methyl-2-phenylpiperidine,3-methyl-2-phenylpiperidine,CC1CCCNC1c2ccccc2,CC1CCCNC1c2ccccc2,"InChI=1/C12H17N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3",C12H17N,,,,,,CMBKSSTVLPZMFL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.544,286-429-6,85237-68-9,2-cyclohexyl-1-methylpiperidine,2-cyclohexyl-1-methylpiperidine,CN1CCCCC1C2CCCCC2,CN1CCCCC1C2CCCCC2,"InChI=1/C12H23N/c1-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3",C12H23N,,,,,,NLDMHZIITZOHPA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.546,286-431-7,85237-70-3,3-ethyl-2-phenylpyridine,3-ethyl-2-phenylpyridine,CCc1cccnc1c2ccccc2,CCc1cccnc1c2ccccc2,"InChI=1/C13H13N/c1-2-11-9-6-10-14-13(11)12-7-4-3-5-8-12/h3-10H,2H2,1H3",C13H13N,,,,,,LAQPYTPYLZTORG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.549,286-434-3,85237-73-6,3-benzyl-1-methylpiperidine,3-benzyl-1-methylpiperidine,CN1CCCC(Cc2ccccc2)C1,CN1CCCC(Cc2ccccc2)C1,"InChI=1/C13H19N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3",C13H19N,,,,,,KTGLLSVNOMWZTG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.553,286-439-0,85237-77-0,2-phenyl-5-propylpyridine,2-phenyl-5-propylpyridine,CCCc1ccc(nc1)c2ccccc2,CCCc1ccc(nc1)c2ccccc2,"InChI=1/C14H15N/c1-2-6-12-9-10-14(15-11-12)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3",C14H15N,,,,,,TZNKZUKEYWZEDN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.907,298-945-9,93840-79-0,"4,4a,5,6-tetrahydro-7-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one","7-isopropyl-4,4a-dimethyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one",CC(C)C1=CC2=CC(=O)CC(C)C2(C)CC1,CC(C)C1=CC2=CC(=O)CC(C)C2(C)CC1,"InChI=1/C15H22O/c1-10(2)12-5-6-15(4)11(3)7-14(16)9-13(15)8-12/h8-11H,5-7H2,1-4H3",C15H22O,,,,,,ZMOKITSGSADCRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.908,298-946-4,93840-80-3,"3,6-dimethyl-1-oxaspiro[4.5]decane","3,6-dimethyl-1-oxaspiro[4.5]decane",CC1COC2(CCCCC2C)C1,CC1COC2(CCCCC2C)C1,"InChI=1/C11H20O/c1-9-7-11(12-8-9)6-4-3-5-10(11)2/h9-10H,3-8H2,1-2H3",C11H20O,,,,,,RVMIUSPWOCZIGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.911,298-950-6,93840-83-6,"a-ethyl-2,2,3-trimethylcyclopentanebutyraldehyde","2-ethyl-4-(2,2,3-trimethylcyclopentyl)butanal",CCC(CCC1CCC(C)C1(C)C)C=O,CCC(CCC1CCC(C)C1(C)C)C=O,"InChI=1/C14H26O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h10-13H,5-9H2,1-4H3",C14H26O,,,,,,LDPXLNHUUPMBJF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.918,298-957-4,93840-90-5,"1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-ol","1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-ol",CC1(C)CCCC(\\C)=C1\\C=CC(O)CC,CC1(C)CCCC(\C)=C1\C=CC(O)CC,"InChI=1/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,12,15H,5-7,10H2,1-4H3",C14H24O,,,,,,DZSNHSUUMHDJRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.919,298-959-5,93840-91-6,5-methoxy-2-(2-methyl-1-propenyl)phenol,5-methoxy-2-(2-methylprop-1-en-1-yl)phenol,COc1ccc(C=C(C)C)c(O)c1,COc1ccc(C=C(C)C)c(O)c1,"InChI=1/C11H14O2/c1-8(2)6-9-4-5-10(13-3)7-11(9)12/h4-7,12H,1-3H3",C11H14O2,,,,,,KUFHEKHXFPHIIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.937,298-978-9,93841-09-9,Dipotassium bis(3-sulphonatopropyl) methylenesuccinate,dipotassium 3-{[2-methylene-4-oxo-4-(3-sulfonatopropoxy)butanoyl]oxy}propane-1-sulfonate,[K+].[K+].[O-]S(=O)(=O)CCCOC(=O)CC(=C)C(=O)OCCCS(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)CCCOC(=O)CC(=C)C(=O)OCCCS(=O)(=O)[O-],"InChI=1/C11H18O10S2.2K/c1-9(11(13)21-5-3-7-23(17,18)19)8-10(12)20-4-2-6-22(14,15)16;;/h1-8H2,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2",C11H18O10S2.2K,,,,,,BZASUCJNBDKYOZ-UHFFFAOYSA-L,,,,,,,,,,,
100.089.943,298-985-7,93841-15-7,"(a,a-dimethylbenzyl)trimethylammonium chloride","N,N,N-trimethyl-2-phenylpropan-2-aminium chloride",[Cl-].CC(C)(c1ccccc1)[N+](C)(C)C,[Cl-].CC(C)(c1ccccc1)[N+](C)(C)C,"InChI=1/C12H20N.ClH/c1-12(2,13(3,4)5)11-9-7-6-8-10-11;/h6-10H,1-5H3;1H/q+1;/p-1",C12H20N.Cl,,,,,,YYULYJNXBJNIDI-UHFFFAOYSA-M,,,,,,,,,,,
100.089.944,298-986-2,93841-16-8,"3,5,7-trioxononanedioic acid","3,5,7-trioxononanedioic acid",OC(=O)CC(=O)CC(=O)CC(=O)CC(=O)O,OC(=O)CC(=O)CC(=O)CC(=O)CC(=O)O,"InChI=1/C9H10O7/c10-5(1-6(11)3-8(13)14)2-7(12)4-9(15)16/h1-4H2,(H,13,14)(H,15,16)",C9H10O7,,,,,,DVJQEIZBKGXTIR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.945,298-987-8,93841-17-9,2-(2-ethylcycloheptyl)ethyl cyanoacetate,2-(2-ethylcycloheptyl)ethyl cyanoacetate,CCC1CCCCCC1CCOC(=O)CC#N,CCC1CCCCCC1CCOC(=O)CC#N,"InChI=1/C14H23NO2/c1-2-12-6-4-3-5-7-13(12)9-11-17-14(16)8-10-15/h12-13H,2-9,11H2,1H3",C14H23NO2,,,,,,MWRFTVDLCGREAK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.566,300-769-5,93963-27-0,3-chloro-N-[4-chloro-2-(anilino)phenyl]propionamide,N-(2-anilino-4-chlorophenyl)-3-chloropropanamide,ClCCC(=O)Nc1ccc(Cl)cc1Nc2ccccc2,ClCCC(=O)Nc1ccc(Cl)cc1Nc2ccccc2,"InChI=1/C15H14Cl2N2O/c16-9-8-15(20)19-13-7-6-11(17)10-14(13)18-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,19,20)",C15H14Cl2N2O,,,,,,FFTZQCADOSDDJO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.567,300-770-0,93963-28-1,"(R*,S*)-(-)-a-[1-[(2-hydroxyethyl)amino]ethyl]benzyl alcohol hydrochloride",2-[(2-hydroxyethyl)amino]-1-phenylpropan-1-ol hydrochloride,Cl.CC(NCCO)C(O)c1ccccc1,Cl.CC(NCCO)C(O)c1ccccc1,"InChI=1/C11H17NO2.ClH/c1-9(12-7-8-13)11(14)10-5-3-2-4-6-10;/h2-6,9,11-14H,7-8H2,1H3;1H",C11H17NO2.ClH,,,,,,YGIPNGHJLVOBQO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.569,300-772-1,93963-30-5,2-bromoethyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate,2-bromoethyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate,BrCCOC(=O)C1(CC2CCC1C2)c3ccccc3,BrCCOC(=O)C1(CC2CCC1C2)c3ccccc3,"InChI=1/C16H19BrO2/c17-8-9-19-15(18)16(13-4-2-1-3-5-13)11-12-6-7-14(16)10-12/h1-5,12,14H,6-11H2",C16H19BrO2,,,,,,BQKFZAGPKKRDNM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.570,300-773-7,93963-31-6,2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid,2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid,OC(=O)C1(CC2CCC1C2)c3ccccc3,OC(=O)C1(CC2CCC1C2)c3ccccc3,"InChI=1/C14H16O2/c15-13(16)14(11-4-2-1-3-5-11)9-10-6-7-12(14)8-10/h1-5,10,12H,6-9H2,(H,15,16)",C14H16O2,,,,,,FODOCVXEWGKNJA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.571,300-774-2,93963-32-7,Ethyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate,ethyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate,CCOC(=O)C1(CC2CCC1C2)c3ccccc3,CCOC(=O)C1(CC2CCC1C2)c3ccccc3,"InChI=1/C16H20O2/c1-2-18-15(17)16(13-6-4-3-5-7-13)11-12-8-9-14(16)10-12/h3-7,12,14H,2,8-11H2,1H3",C16H20O2,,,,,,MHLXHLFXWNSRON-UHFFFAOYSA-N,,,,,,,,,,,
100.091.574,300-777-9,93963-35-0,4-(p-cumenyl)-4-methylpentan-2-ol,4-(4-isopropylphenyl)-4-methylpentan-2-ol,CC(O)CC(C)(C)c1ccc(cc1)C(C)C,CC(O)CC(C)(C)c1ccc(cc1)C(C)C,"InChI=1/C15H24O/c1-11(2)13-6-8-14(9-7-13)15(4,5)10-12(3)16/h6-9,11-12,16H,10H2,1-5H3",C15H24O,,,,,,FBICAHFVMKPFJF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.576,300-780-5,93963-37-2,"2,2-dimethyl-1-phenylpentan-3-ol","2,2-dimethyl-1-phenylpentan-3-ol",CCC(O)C(C)(C)Cc1ccccc1,CCC(O)C(C)(C)Cc1ccccc1,"InChI=1/C13H20O/c1-4-12(14)13(2,3)10-11-8-6-5-7-9-11/h5-9,12,14H,4,10H2,1-3H3",C13H20O,,,,,,VQTSUDONSIEYQP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.444,301-734-7,94042-69-0,Tributyl[(p-tert-butylbenzoyl)oxy]stannane,tributyl[(4-tert-butylbenzoyl)oxy]stannane,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccc(cc1)C(C)(C)C,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccc(cc1)C(C)(C)C,"InChI=1/C11H14O2.3C4H9.Sn/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;3*1-3-4-2;/h4-7H,1-3H3,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC23H40O2Sn/c1-7-10-17-26(18-11-8-2,19-12-9-3)25-22(24)20-13-15-21(16-14-20)23(4,5)6/h13-16H,7-12,17-19H2,1-6H3",C23H40O2Sn,,,,,,YSMNPCUUJJDTNG-UHFFFAOYSA-M,,,,,,,,,,,
100.092.446,301-736-8,94042-71-4,"4-[[4-[[6-[3-(tert-butyl)phenoxy]-4-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-[(4-{[4-(3-tert-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino}-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",CC(C)(C)c1cc(ccc1)Oc2nc(Cl)nc(n2)Nc5ccc(N=NC4\\C(=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)C(O)=O)c(c5)S(O)(=O)=O,CC(C)(C)c1cc(ccc1)Oc2nc(Cl)nc(n2)Nc5ccc(N=NC4\C(=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)C(O)=O)c(c5)S(O)(=O)=O,"InChI=1/C29H25ClN8O10S2/c1-29(2,3)15-5-4-6-18(13-15)48-28-33-26(30)32-27(34-28)31-16-7-12-20(21(14-16)50(45,46)47)35-36-22-23(25(40)41)37-38(24(22)39)17-8-10-19(11-9-17)49(42,43)44/h4-14,22H,1-3H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34)",C29H25ClN8O10S2,,,,,,BHGNFXPZZLKIDV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.448,301-738-9,94042-73-6,"Tetrasodium 2-[[4-chloro-6-[[3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate","tetrasodium 2-({4-chloro-6-[(3-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(cc5)S([O-])(=O)=O,"InChI=1/C25H20ClN9O13S4.4Na/c1-12-21(22(36)35(34-12)14-3-5-15(6-4-14)49(37,38)39)33-32-18-10-13(2-8-20(18)52(46,47)48)27-24-29-23(26)30-25(31-24)28-17-11-16(50(40,41)42)7-9-19(17)51(43,44)45;;;;/h2-11,21H,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,27,28,29,30,31);;;;/q;4*+1/p-4",C25H20ClN9O13S4.4Na,,,,,,OHBPQSSYDJUTSH-UHFFFAOYSA-J,,,,,,,,,,,
100.078.000,285-830-3,85153-49-7,"Octyl 2,4-dichloro-3-oxobutyrate","octyl 2,4-dichloro-3-oxobutanoate",CCCCCCCCOC(=O)C(Cl)C(=O)CCl,CCCCCCCCOC(=O)C(Cl)C(=O)CCl,"InChI=1/C12H20Cl2O3/c1-2-3-4-5-6-7-8-17-12(16)11(14)10(15)9-13/h11H,2-9H2,1H3",C12H20Cl2O3,,,,,,LQJAFKFQGKZOLK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.974,286-901-1,85392-42-3,"4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethyl-2-butenal","4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethylbut-2-enal",CC2(C)C1CCC(C1)C2CC=C(C=O)CC,CC2(C)C1CCC(C1)C2CC=C(C=O)CC,"InChI=1/C15H24O/c1-4-11(10-16)5-8-14-12-6-7-13(9-12)15(14,2)3/h5,10,12-14H,4,6-9H2,1-3H3",C15H24O,,,,,,SVZGJXGCGUNXMO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.956,275-875-7,71701-33-2,"1-amino-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-4-[(2,4,6-trimethylphenyl)amino]anthraquinone","1-amino-4-(mesitylamino)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-9,10-anthraquinone",Cc1cc(C)c(Nc2cc(Oc3ccc(cc3)C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)c(C)c1,Cc1cc(C)c(Nc2cc(Oc3ccc(cc3)C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)c(C)c1,"InChI=1/C37H40N2O3/c1-21-17-22(2)33(23(3)18-21)39-28-19-29(42-25-15-13-24(14-16-25)37(7,8)20-36(4,5)6)32(38)31-30(28)34(40)26-11-9-10-12-27(26)35(31)41/h9-19,39H,20,38H2,1-8H3",C37H40N2O3,,,,,,RFROTQNVJNTBLU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.208,268-449-7,68084-63-9,4-(2-ethoxy-5-methyl-4-nitrophenyl)morpholine,4-(2-ethoxy-5-methyl-4-nitrophenyl)morpholine,CCOc1cc(c(C)cc1N2CCOCC2)[N+](=O)[O-],CCOc1cc(c(C)cc1N2CCOCC2)[N+](=O)[O-],"InChI=1/C13H18N2O4/c1-3-19-13-9-11(15(16)17)10(2)8-12(13)14-4-6-18-7-5-14/h8-9H,3-7H2,1-2H3",C13H18N2O4,,,,,,WJPHGAWNECZFCC-UHFFFAOYSA-N,,,,,,,,,,,
100.062.213,268-454-4,68092-41-1,2-ethylbutyl cyclopent-1-ene-1-acetate,2-ethylbutyl cyclopent-1-en-1-ylacetate,CCC(CC)COC(=O)CC1=CCCC1,CCC(CC)COC(=O)CC1=CCCC1,"InChI=1/C13H22O2/c1-3-11(4-2)10-15-13(14)9-12-7-5-6-8-12/h7,11H,3-6,8-10H2,1-2H3",C13H22O2,,,,,,CSJDIMDBOKPNRB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.224,268-467-5,68092-69-3,"N,N''-(4-methyl-m-phenylene)bis[N'-octadecadienylurea]","N,N''-(4-methyl-1,3-phenylene)bis(3-octadeca-1,3-dien-1-ylurea)",O=C(Nc1cc(ccc1C)NC(=O)NC=CC=CCCCCCCCCCCCCCC)NC=CC=CCCCCCCCCCCCCCC,O=C(Nc1cc(ccc1C)NC(=O)NC=CC=CCCCCCCCCCCCCCC)NC=CC=CCCCCCCCCCCCCCC,"InChI=1/C45H76N4O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-46-44(50)48-42-37-36-41(3)43(40-42)49-45(51)47-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h30-40H,4-29H2,1-3H3,(H2,46,48,50)(H2,47,49,51)",C45H76N4O2,,,,,,FFTKJZTYOCRSOA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.227,268-470-1,68092-72-8,N'-[3-(trimethoxysilyl)propyl]-N-[(vinylphenyl)methyl]ethylenediamine,"N-[3-(trimethoxysilyl)propyl]-N'-(2-vinylbenzyl)ethane-1,2-diamine",CO[Si](CCCNCCNCc1ccccc1C=C)(OC)OC,CO[Si](CCCNCCNCc1ccccc1C=C)(OC)OC,"InChI=1/C17H30N2O3Si/c1-5-16-9-6-7-10-17(16)15-19-13-12-18-11-8-14-23(20-2,21-3)22-4/h5-7,9-10,18-19H,1,8,11-15H2,2-4H3",C17H30N2O3Si,,,,,,GYSSGKQFRUMLDF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.228,268-471-7,68092-73-9,Ethylene (3-isocyanatomethylphenyl)-carbamate,"ethane-1,2-diyl bis{[3-(isocyanatomethyl)phenyl]carbamate}",O=C(Nc1cc(ccc1)C\\N=C=O)OCCOC(=O)Nc2cc(C\\N=C=O)ccc2,O=C(Nc1cc(ccc1)C\N=C=O)OCCOC(=O)Nc2cc(C\N=C=O)ccc2,"InChI=1/C20H18N4O6/c25-13-21-11-15-3-1-5-17(9-15)23-19(27)29-7-8-30-20(28)24-18-6-2-4-16(10-18)12-22-14-26/h1-6,9-10H,7-8,11-12H2,(H,23,27)(H,24,28)",C20H18N4O6,,,,,,XFIRHQKNSMDAHH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.230,268-473-8,68104-61-0,1-(4-tert-butylphenyl)piperazine,1-(4-tert-butylphenyl)piperazine,CC(C)(C)c1ccc(cc1)N2CCNCC2,CC(C)(C)c1ccc(cc1)N2CCNCC2,"InChI=1/C14H22N2/c1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3",C14H22N2,,,,,,ORDMNUOREWSOKN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.234,268-478-5,68109-58-0,"Disodium 4-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate","disodium 4-hydroxy-3-({4'-[(4-hydroxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Oc5ccc(N=Nc1ccc(cc1C)c4ccc(N=Nc3c(cc2cc(ccc2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c4)cc5,[Na+].[Na+].Oc5ccc(N=Nc1ccc(cc1C)c4ccc(N=Nc3c(cc2cc(ccc2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c4)cc5,"InChI=1/C30H24N4O8S2.2Na/c1-17-13-19(3-11-26(17)32-31-22-5-7-23(35)8-6-22)20-4-12-27(18(2)14-20)33-34-29-28(44(40,41)42)16-21-15-24(43(37,38)39)9-10-25(21)30(29)36;;/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H24N4O8S2.2Na,,,,,,OFKCIIAGMLXFAK-UHFFFAOYSA-L,,,,,,,,,,,
100.062.237,268-481-1,68109-66-0,"N,N'-[iminobis(ethyleneiminoethylene)]distearamide diacetate","N-(13-oxo-3,6,9,12-tetraazatriacont-1-yl)octadecanamide diacetate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O,"InChI=1/C44H91N5O2.2C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-2(3)4/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51);2*1H3,(H,3,4)",C44H91N5O2.2C2H4O2,,,,,,ZJGFZWOSZHRHCM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.085,274-917-1,70833-38-4,"Disodium 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 7-({4-[ethyl(phenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].CCN(c1ccccc1)c5nc(F)nc(Nc3cc4cc(c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)n5,[Na+].[Na+].CCN(c1ccccc1)c5nc(F)nc(Nc3cc4cc(c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)n5,"InChI=1/C28H24FN7O8S2.2Na/c1-3-36(18-7-5-4-6-8-18)28-32-26(29)31-27(33-28)30-17-9-11-20-16(13-17)14-23(46(41,42)43)24(25(20)37)35-34-21-12-10-19(44-2)15-22(21)45(38,39)40;;/h4-15,37H,3H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,30,31,32,33);;/q;2*+1/p-2",C28H24FN7O8S2.2Na,,,,,,RVHUTHFCUQUEQH-UHFFFAOYSA-L,,,,,,,,,,,
100.068.101,274-934-4,70851-49-9,"2,2-dimethyl-1,3,6,9,12-pentaoxa-2-silacyclotetradecane","2,2-dimethyl-1,3,6,9,12-pentaoxa-2-silacyclotetradecane",C[Si]1(C)OCCOCCOCCOCCO1,C[Si]1(C)OCCOCCOCCOCCO1,"InChI=1/C10H22O5Si/c1-16(2)14-9-7-12-5-3-11-4-6-13-8-10-15-16/h3-10H2,1-2H3",C10H22O5Si,,,,,,JIOBGPYSBDFDAB-UHFFFAOYSA-N,,,,,,,,,,,
100.065.326,271-880-3,68610-90-2,"2-Butenedioic acid (E)-, di-C8-18-alkyl esters",didecyl but-2-enedioate,CCCCCCCCCCOC(=O)\\C=C\\C(=O)OCCCCCCCCCC,CCCCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCCCC,"InChI=1/C24H44O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h19-20H,3-18,21-22H2,1-2H3",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10420,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.326,BVVRPLNLVUMGSL-FMQUCBEESA-N,,,,,,,,,,,
100.065.354,271-911-0,68612-99-7,"N-(4-chloro-2,5-dimethoxyphenyl)-3-[m-[[4-(2,4-di-tert-pentylphenoxy)butyryl]amino]phenyl]-3-oxopropionamide","4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3-{3-[(4-chloro-2,5-dimethoxyphenyl)amino]-3-oxopropanoyl}phenyl)butanamide",CCC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(c2)C(=O)CC(=O)Nc3cc(OC)c(Cl)cc3OC)c(c1)C(C)(C)CC,CCC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(c2)C(=O)CC(=O)Nc3cc(OC)c(Cl)cc3OC)c(c1)C(C)(C)CC,"InChI=1/C37H47ClN2O6/c1-9-36(3,4)25-16-17-31(27(20-25)37(5,6)10-2)46-18-12-15-34(42)39-26-14-11-13-24(19-26)30(41)23-35(43)40-29-22-32(44-7)28(38)21-33(29)45-8/h11,13-14,16-17,19-22H,9-10,12,15,18,23H2,1-8H3,(H,39,42)(H,40,43)",C37H47ClN2O6,,,,,,BTMSHXNCQMIAAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.356,271-913-1,68629-07-2,"2,6,10,15,19,23-hexamethyltetracosene","2,6,10,15,19,23-hexamethyltetracos-1-ene",CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(=C)C,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(=C)C,"InChI=1/C30H60/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h26-30H,1,9-24H2,2-8H3",C30H60,,,,,,IXBQOEQETSLHIF-UHFFFAOYSA-N,,,,,,,,,,,
100.067.108,273-840-0,69031-54-5,"Trisodium 8-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulphonate","trisodium 8-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(c3cc(cc(c23)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(c3cc(cc(c23)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H14N2O12S3.3Na/c1-9-2-3-10(6-14(9)20(22)23)18(21)19-13-4-5-15(34(27,28)29)12-7-11(33(24,25)26)8-16(17(12)13)35(30,31)32;;;/h2-8H,1H3,(H,19,21)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3",C18H14N2O12S3.3Na,,,,,,YCCFZXJJUOXAGV-UHFFFAOYSA-K,,,,,,,,,,,
100.067.109,273-841-6,69031-55-6,"Trisodium 8-[(3-amino-4-methylbenzoyl)amino]naphthalene-1,3,5-trisulphonate","trisodium 8-[(3-amino-4-methylbenzoyl)amino]naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Cc1ccc(cc1N)C(=O)Nc2ccc(c3cc(cc(c23)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].Cc1ccc(cc1N)C(=O)Nc2ccc(c3cc(cc(c23)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H16N2O10S3.3Na/c1-9-2-3-10(6-13(9)19)18(21)20-14-4-5-15(32(25,26)27)12-7-11(31(22,23)24)8-16(17(12)14)33(28,29)30;;;/h2-8H,19H2,1H3,(H,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3",C18H16N2O10S3.3Na,,,,,,BXBFOMQNPGQPJK-UHFFFAOYSA-K,,,,,,,,,,,
100.067.111,273-843-7,69039-70-9,"Methylenebis(3-hydroxy-5-methyl-4,1-phenylene) tetrakis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","methylenebis-3-hydroxy-5-methylbenzene-2,1,4-triyl tetrakis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",Cc1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(Cc4c(O)c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c(C)cc4OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)c(O)c1OS(=O)(=O)c9cccc%10C(=O)C(=[N+]=[N-])C=Cc9%10,Cc1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(Cc4c(O)c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c(C)cc4OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)c(O)c1OS(=O)(=O)c9cccc%10C(=O)C(=[N+]=[N-])C=Cc9%10,"InChI=1/C55H32N8O18S4/c1-26-23-42(78-82(70,71)44-11-3-7-32-28(44)15-19-38(60-56)48(32)64)36(52(68)54(26)80-84(74,75)46-13-5-9-34-30(46)17-21-40(62-58)50(34)66)25-37-43(79-83(72,73)45-12-4-8-33-29(45)16-20-39(61-57)49(33)65)24-27(2)55(53(37)69)81-85(76,77)47-14-6-10-35-31(47)18-22-41(63-59)51(35)67/h3-24,68-69H,25H2,1-2H3",C35H24N4O10S2,,,,,,ZDPDCWNMHNUFAT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.759,276-758-3,72659-69-9,"4,4'-[ethylenebis[iminosulphonyl(6-methoxy-3,1-phenylene)azo]]bis[N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide]","4,4'-{ethane-1,2-diylbis[sulfamoyl(6-methoxy-3,1-phenylene)diazene-2,1-diyl]}bis[N-(4-ethoxyphenyl)-3-hydroxy-2-naphthamide]",COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(OCC)cc1)c2O)S(=O)(=O)NCCNS(=O)(=O)c8ccc(OC)c(N=Nc6c7ccccc7cc(C(=O)Nc5ccc(OCC)cc5)c6O)c8,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(OCC)cc1)c2O)S(=O)(=O)NCCNS(=O)(=O)c8ccc(OC)c(N=Nc6c7ccccc7cc(C(=O)Nc5ccc(OCC)cc5)c6O)c8,"InChI=1/C54H50N8O12S2/c1-5-73-37-19-15-35(16-20-37)57-53(65)43-29-33-11-7-9-13-41(33)49(51(43)63)61-59-45-31-39(23-25-47(45)71-3)75(67,68)55-27-28-56-76(69,70)40-24-26-48(72-4)46(32-40)60-62-50-42-14-10-8-12-34(42)30-44(52(50)64)54(66)58-36-17-21-38(22-18-36)74-6-2/h7-26,29-32,55-56,63-64H,5-6,27-28H2,1-4H3,(H,57,65)(H,58,66)",C54H50N8O12S2,,,,,,DDDSUFDAAPUMSW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.764,276-764-6,72679-02-8,(S)-3-(benzoylthio)-2-methylpropionic acid,3-(benzoylsulfanyl)-2-methylpropanoic acid,C[C@H](CSC(=O)c1ccccc1)C(=O)O,C[C@H](CSC(=O)c1ccccc1)C(=O)O,"InChI=1/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)",C11H12O3S,,,,,,BCAYPPFBOJCRPN-MRVPVSSYSA-N,,,,,,,,,,,
100.069.765,276-765-1,72689-40-8,[(tridecyloxy)methyl]oxirane,2-[(tridecyloxy)methyl]oxirane,CCCCCCCCCCCCCOCC1CO1,CCCCCCCCCCCCCOCC1CO1,"InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-16-15-18-16/h16H,2-15H2,1H3",C16H32O2,,,,,,ZCZCZLVSKGCRTD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.769,276-769-3,72705-22-7,Ammonium 4-acetoacetylamino-5-methoxy-2-methylbenzenesulphonate,ammonium 4-(acetoacetylamino)-5-methoxy-2-methylbenzenesulfonate,[NH4+].COc1cc(c(C)cc1NC(=O)CC(=O)C)S(=O)(=O)[O-],[NH4+].COc1cc(c(C)cc1NC(=O)CC(=O)C)S(=O)(=O)[O-],"InChI=1/C12H15NO6S.H3N/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);1H3",C12H15NO6S.H3N,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17251,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.769,ZPDRZMNAFLBUOA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.558,286-444-8,85237-82-7,2-butoxy-2-oxoethyl hydroxyacetate,butyl (glycoloyloxy)acetate,CCCCOC(=O)COC(=O)CO,CCCCOC(=O)COC(=O)CO,"InChI=1/C8H14O5/c1-2-3-4-12-8(11)6-13-7(10)5-9/h9H,2-6H2,1H3",C8H14O5,,,,,,UULVLXVIYGPTBD-UHFFFAOYSA-N,,,,,,,,,,,
100.078.567,286-454-2,85238-64-8,"Dihexyl 2,5-dihydroxy-d,d,d',d'-tetramethylbenzene-1,4-divalerate","dihexyl 5,5'-(2,5-dihydroxy-1,4-phenylene)bis(5-methylhexanoate)",CCCCCCOC(=O)CCCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CCCC(=O)OCCCCCC,CCCCCCOC(=O)CCCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CCCC(=O)OCCCCCC,"InChI=1/C32H54O6/c1-7-9-11-13-21-37-29(35)17-15-19-31(3,4)25-23-28(34)26(24-27(25)33)32(5,6)20-16-18-30(36)38-22-14-12-10-8-2/h23-24,33-34H,7-22H2,1-6H3",C32H54O6,,,,,,ZJTCHWNYUAHHDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.570,286-457-9,85248-84-6,"(S)-1-benzoyl-N,N-dihexyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-dihexyl-5-oxo-L-prolinamide",CCCCCCN(CCCCCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,CCCCCCN(CCCCCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C24H36N2O3/c1-3-5-7-12-18-25(19-13-8-6-4-2)24(29)21-16-17-22(27)26(21)23(28)20-14-10-9-11-15-20/h9-11,14-15,21H,3-8,12-13,16-19H2,1-2H3",C24H36N2O3,,,,,,PYZKOIZVQCSZBO-NRFANRHFSA-N,,,,,,,,,,,
100.078.571,286-458-4,85248-85-7,"(S)-1-benzoyl-5-oxo-N,N-dipentylpyrrolidine-2-carboxamide","1-benzoyl-5-oxo-N,N-dipentyl-L-prolinamide",CCCCCN(CCCCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,CCCCCN(CCCCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C22H32N2O3/c1-3-5-10-16-23(17-11-6-4-2)22(27)19-14-15-20(25)24(19)21(26)18-12-8-7-9-13-18/h7-9,12-13,19H,3-6,10-11,14-17H2,1-2H3",C22H32N2O3,,,,,,AQWNKMIOQXJKGV-IBGZPJMESA-N,,,,,,,,,,,
100.089.949,298-992-5,93841-21-5,"4-(3-carboxy-2-methyl-3,3-diphenylpropyl)morpholinium hydrogen sulphate","4-(3-carboxy-2-methyl-3,3-diphenylpropyl)morpholin-4-ium hydrogen sulfate",CC(C[NH+]1CCOCC1)C(C(=O)O)(c2ccccc2)c3ccccc3.[O-]S(=O)(=O)[O-],CC(C[NH+]1CCOCC1)C(C(=O)O)(c2ccccc2)c3ccccc3.[O-]S(=O)(=O)[O-],"InChI=1/C21H25NO3.H2O4S/c1-17(16-22-12-14-25-15-13-22)21(20(23)24,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-5(2,3)4/h2-11,17H,12-16H2,1H3,(H,23,24);(H2,1,2,3,4)/p-1",C21H25NO3.H2O4S,,,,,,OFIQJTJIXKPUGI-UHFFFAOYSA-M,,,,,,,,,,,
100.089.950,298-993-0,93841-22-6,5-benzyl-5-phenylbarbituric acid,"5-benzyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione",O=C1NC(=O)C(Cc2ccccc2)(C(=O)N1)c3ccccc3,O=C1NC(=O)C(Cc2ccccc2)(C(=O)N1)c3ccccc3,"InChI=1/C17H14N2O3/c20-14-17(13-9-5-2-6-10-13,15(21)19-16(22)18-14)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20,21,22)",C17H14N2O3,,,,,,RIYDTHLUCWFCEN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.956,298-999-3,93841-29-3,"N,N-dimethyl-N'-(2,4,6-trimethyl-3-pyridyl)formamidine","N,N-dimethyl-N'-(2,4,6-trimethylpyridin-3-yl)imidoformamide",Cc1nc(C)cc(C)c1N=CN(C)C,Cc1nc(C)cc(C)c1N=CN(C)C,"InChI=1/C11H17N3/c1-8-6-9(2)13-10(3)11(8)12-7-14(4)5/h6-7H,1-5H3",C11H17N3,,,,,,BQHMTYOLQNZWLS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.965,299-009-2,93841-40-8,2-cyclooctyl-6-cyclopentylphenol,2-cyclooctyl-6-cyclopentylphenol,Oc1c(cccc1C2CCCCCCC2)C3CCCC3,Oc1c(cccc1C2CCCCCCC2)C3CCCC3,"InChI=1/C19H28O/c20-19-17(15-9-4-2-1-3-5-10-15)13-8-14-18(19)16-11-6-7-12-16/h8,13-16,20H,1-7,9-12H2",C19H28O,,,,,,SPYCTJYQSHLVPR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.970,299-015-5,93841-45-3,"Bis(octahydro-4,7-methano-1H-inden-2-yl)hydroquinone","2,3-dioctahydro-1H-4,7-methanoinden-2-ylbenzene-1,4-diol",Oc1ccc(O)c(C2CC3C4CCC(C4)C3C2)c1C5CC6C7CCC(C7)C6C5,Oc1ccc(O)c(C2CC3C4CCC(C4)C3C2)c1C5CC6C7CCC(C7)C6C5,"InChI=1/C26H34O2/c27-23-5-6-24(28)26(18-11-21-15-3-4-16(8-15)22(21)12-18)25(23)17-9-19-13-1-2-14(7-13)20(19)10-17/h5-6,13-22,27-28H,1-4,7-12H2",C26H34O2,,,,,,LRUURYXTKSHHJY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.977,299-022-3,93841-52-2,(R)-[[(allyloxy)carbonyl]amino](3-chloro-4-hydroxyphenyl)acetic acid,{[(allyloxy)carbonyl]amino}(3-chloro-4-hydroxyphenyl)acetic acid,OC(=O)[C@H](NC(=O)OCC=C)c1ccc(O)c(Cl)c1,OC(=O)[C@H](NC(=O)OCC=C)c1ccc(O)c(Cl)c1,"InChI=1/C12H12ClNO5/c1-2-5-19-12(18)14-10(11(16)17)7-3-4-9(15)8(13)6-7/h2-4,6,10,15H,1,5H2,(H,14,18)(H,16,17)",C12H12ClNO5,,,,,,XQXHWLUNAJQYRV-SNVBAGLBSA-N,,,,,,,,,,,
100.089.979,299-024-4,93841-54-4,"2-benzyl-2,3,4,6-tetrahydro-9-methoxy-1,5-dimethyl-1H-pyrido[4,3-b]carbazole","2-benzyl-9-methoxy-1,5-dimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole",COc1ccc2[nH]c3c(C)c4CCN(Cc5ccccc5)C(C)c4cc3c2c1,COc1ccc2[nH]c3c(C)c4CCN(Cc5ccccc5)C(C)c4cc3c2c1,"InChI=1/C25H26N2O/c1-16-20-11-12-27(15-18-7-5-4-6-8-18)17(2)21(20)14-23-22-13-19(28-3)9-10-24(22)26-25(16)23/h4-10,13-14,17,26H,11-12,15H2,1-3H3",C25H26N2O,,,,,,SNWJXHHMBDJMIW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.980,299-026-5,93841-55-5,N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-N-(phenylmethyl)acetamide,N-benzyl-N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]acetamide,COc1ccc2[nH]c3c(C)c(CCN(Cc4ccccc4)C(=O)C)ccc3c2c1,COc1ccc2[nH]c3c(C)c(CCN(Cc4ccccc4)C(=O)C)ccc3c2c1,"InChI=1/C25H26N2O2/c1-17-20(13-14-27(18(2)28)16-19-7-5-4-6-8-19)9-11-22-23-15-21(29-3)10-12-24(23)26-25(17)22/h4-12,15,26H,13-14,16H2,1-3H3",C25H26N2O2,,,,,,IIJIFXSCYADHHB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.976,286-903-2,85392-44-5,"1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)hexane-2,5-dione","1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)hexane-2,5-dione",CC(=O)CCC(=O)CC1C2CCC(C2)C1(C)C,CC(=O)CCC(=O)CC1C2CCC(C2)C1(C)C,"InChI=1/C15H24O2/c1-10(16)4-7-13(17)9-14-11-5-6-12(8-11)15(14,2)3/h11-12,14H,4-9H2,1-3H3",C15H24O2,,,,,,KTFQCEQXARNYFB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.980,286-907-4,85392-48-9,"Methyl 2-acetylpent-4-enoate, sodium salt",-,[Na+].COC(=O)C(CC=C)C(=O)C,[Na+].COC(=O)C(CC=C)C(=O)C,"InChI=1/C8H12O3.Na/c1-4-5-7(6(2)9)8(10)11-3;/h4,7H,1,5H2,2-3H3;/q;+1",C8H11O3.Na,,,,,,BQZVDZRATANUKG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.581,300-785-2,93963-42-9,"(3,3-diethoxy-2,2-dimethylpropyl)benzene","(3,3-diethoxy-2,2-dimethylpropyl)benzene",CCOC(OCC)C(C)(C)Cc1ccccc1,CCOC(OCC)C(C)(C)Cc1ccccc1,"InChI=1/C15H24O2/c1-5-16-14(17-6-2)15(3,4)12-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3",C15H24O2,,,,,,ZBGABXFKVXZYAE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.582,300-786-8,93963-43-0,"2-[2-[4-isopropylcyclohexyl]-1-methylethyl]-1,3-dioxolane","2-[2-(4-isopropylcyclohexyl)-1-methylethyl]-1,3-dioxolane",CC(C)C1CCC(CC(C)C2OCCO2)CC1,CC(C)C1CCC(CC(C)C2OCCO2)CC1,"InChI=1/C15H28O2/c1-11(2)14-6-4-13(5-7-14)10-12(3)15-16-8-9-17-15/h11-15H,4-10H2,1-3H3",C15H28O2,,,,,,NEEOYEFZBXPYEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.608,300-814-9,93963-70-3,2-methylpropyl furan-3-propionate,isobutyl 3-(3-furyl)propanoate,CC(C)COC(=O)CCc1cocc1,CC(C)COC(=O)CCc1cocc1,"InChI=1/C11H16O3/c1-9(2)7-14-11(12)4-3-10-5-6-13-8-10/h5-6,8-9H,3-4,7H2,1-2H3",C11H16O3,,,,,,FDUJDSSSKYHAHB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.610,300-817-5,93963-73-6,"N,N-diethyl-3-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)azo]aniline","N,N-diethyl-3-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)diazenyl]aniline",CCN(CC)c3ccc(N=Nc1cc(nn1)c2ccccc2)c(C)c3,CCN(CC)c3ccc(N=Nc1cc(nn1)c2ccccc2)c(C)c3,"InChI=1/C20H23N5/c1-4-25(5-2)17-11-12-18(15(3)13-17)21-23-20-14-19(22-24-20)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,24)",C20H23N5,,,,,,XNKQOXQNQKLHLN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.611,300-818-0,93963-74-7,"(20R)-11ß,17,20,21-tetrahydroxy-6a-methylpregna-1,4-dien-3-one 21-acetate","11,17,20-trihydroxy-6-methyl-3-oxopregna-1,4-dien-21-yl acetate",C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19-21,27-29H,6,8-9,11-12H2,1-4H3",C24H34O6,,,,,,PISINOWVXAIVLQ-OCKJIAMASA-N,,,,,,,,,,,
100.091.616,300-823-8,93963-79-2,Methyl[(1-methylethyl)thio]pyrazine,2-(isopropylsulfanyl)-3-methylpyrazine,CC(C)Sc1nccnc1C,CC(C)Sc1nccnc1C,"InChI=1/C8H12N2S/c1-6(2)11-8-7(3)9-4-5-10-8/h4-6H,1-3H3",C8H12N2S,,,,,,LBAWRXUDKBOJMP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.469,301-761-4,94042-94-1,"Sodium 4-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]benzenesulphonate","sodium 4-{[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)pent-2-en-1-yl]oxy}benzenesulfonate",[Na+].FC(Oc1ccc(cc1)S([O-])(=O)=O)(C(=C(C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F,[Na+].FC(Oc1ccc(cc1)S([O-])(=O)=O)(C(=C(C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C14H5F15O4S.Na/c15-9(16,13(24,25)26)7(11(18,19)20)8(12(21,22)23)10(17,14(27,28)29)33-5-1-3-6(4-2-5)34(30,31)32;/h1-4H,(H,30,31,32);/q;+1/p-1",C14H5F15O4S.Na,,,,,,GZRNRYCQJMKNSM-UHFFFAOYSA-M,,,,,,,,,,,
100.092.470,301-763-5,94042-95-2,"Sodium 4-[[1,3,4,4,5,5,5-heptafluoro-2-[2,2,3,3,3-pentafluoro-1-(pentafluoroethyl)-1-(trifluoromethyl)propyl]-3-(trifluoromethyl)-1-pentenyl]oxy]benzenesulphonate","sodium 4-({1,3,4,4,5,5,5-heptafluoro-2-[2,2,3,3,3-pentafluoro-1-(pentafluoroethyl)-1-(trifluoromethyl)propyl]-3-(trifluoromethyl)pent-1-en-1-yl}oxy)benzenesulfonate",[Na+].FC(Oc1ccc(cc1)S([O-])(=O)=O)=C(C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)F,[Na+].FC(Oc1ccc(cc1)S([O-])(=O)=O)=C(C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C18H5F23O4S.Na/c19-8(45-5-1-3-6(4-2-5)46(42,43)44)7(10(20,15(30,31)32)13(25,26)18(39,40)41)9(14(27,28)29,11(21,22)16(33,34)35)12(23,24)17(36,37)38;/h1-4H,(H,42,43,44);/q;+1/p-1",C18H5F23O4S.Na,,,,,,VFPWQVQGSDBHJW-UHFFFAOYSA-M,,,,,,,,,,,
100.092.475,301-768-2,94043-00-2,"Octyl 2-(2,4,5-trichlorophenoxy)propionate","octyl 2-(2,4,5-trichlorophenoxy)propanoate",CCCCCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCCCCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C17H23Cl3O3/c1-3-4-5-6-7-8-9-22-17(21)12(2)23-16-11-14(19)13(18)10-15(16)20/h10-12H,3-9H2,1-2H3",C17H23Cl3O3,,,,,,OFXFXKNVHYPBEB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.499,301-794-4,94070-95-8,"3,7-dimethylocta-2,6-dienyl methacrylate","3,7-dimethylocta-2,6-dien-1-yl methacrylate",CC(=C)C(=O)OCC=C(C)CC\\C=C(/C)C,CC(=C)C(=O)OCC=C(C)CC\C=C(/C)C,"InChI=1/C14H22O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9H,3,6,8,10H2,1-2,4-5H3",C14H22O2,,,,,,DWJIEXRXQKFNAB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.011,285-842-9,85153-60-2,Methyl 4-chloro-3-methoxy-2-butenoate,methyl 4-chloro-3-methoxybut-2-enoate,O=C(OC)C=C(CCl)OC,O=C(OC)C=C(CCl)OC,"InChI=1/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3",C6H9ClO3,,,,,,JNYMRXDQVPIONI-UHFFFAOYSA-N,,,,,,,,,,,
100.063.577,269-956-6,68391-48-0,"3,3'-[(phenylimino)bis(ethane-2,1-diyloxy)]bispropiononitrile","3,3'-[(phenylimino)bis(ethane-2,1-diyloxy)]dipropanenitrile",N#CCCOCCN(CCOCCC#N)c1ccccc1,N#CCCOCCN(CCOCCC#N)c1ccccc1,"InChI=1/C16H21N3O2/c17-8-4-12-20-14-10-19(11-15-21-13-5-9-18)16-6-2-1-3-7-16/h1-3,6-7H,4-5,10-15H2",C16H21N3O2,,,,,,LHIVWGDROKTSST-UHFFFAOYSA-N,,,,,,,,,,,
100.063.579,269-958-7,68391-50-4,"2-bromo-4,6-dinitrobenzenediazonium sulphate (2:1)","bis(2-bromo-4,6-dinitrobenzenediazonium) sulfate",[O-][N+](=O)c1cc(Br)c([N+]#N)c(c1)[N+](=O)[O-].[O-][N+](=O)c2cc(Br)c([N+]#N)c(c2)[N+](=O)[O-].[O-]S(=O)(=O)[O-],[O-][N+](=O)c1cc(Br)c([N+]#N)c(c1)[N+](=O)[O-].[O-][N+](=O)c2cc(Br)c([N+]#N)c(c2)[N+](=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2C6H2BrN4O4.H2O4S/c2*7-4-1-3(10(12)13)2-5(11(14)15)6(4)9-8;1-5(2,3)4/h2*1-2H;(H2,1,2,3,4)/q2*+1;/p-2",C6H2BrN4O4.1/2O4S,,,,,,QRVCCIJHGQFIBC-UHFFFAOYSA-L,,,,,,,,,,,
100.063.583,269-962-9,68391-54-8,"Formic acid, compound with 2,2'-iminobis[ethanol] (1:1)","formic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC=O,OCCNCCO.OC=O,"InChI=1/C4H11NO2.CH2O2/c6-3-1-5-2-4-7;2-1-3/h5-7H,1-4H2;1H,(H,2,3)",C4H11NO2.CH2O2,,,,,,BOZAGLYGUSSJHG-UHFFFAOYSA-N,,,,,,,,,,,
100.063.608,269-990-1,68399-78-0,ß-hydroxy-4-(2-hydroxyethyl)piperazine-1-propanesulphonic acid,2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid,OCCN1CCN(CC(O)CS(=O)(=O)O)CC1,OCCN1CCN(CC(O)CS(=O)(=O)O)CC1,"InChI=1/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)",C9H20N2O5S,,,,,,GIZQLVPDAOBAFN-UHFFFAOYSA-N,,,,,,,,,,,
100.063.613,269-995-9,68399-88-2,"4-[[4-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-[(4-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",Clc1cc(c(Cl)nn1)C(=O)Nc4ccc(N=NC3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(c4)S(O)(=O)=O,Clc1cc(c(Cl)nn1)C(=O)Nc4ccc(N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(c4)S(O)(=O)=O,"InChI=1/C21H13Cl2N7O10S2/c22-15-8-12(18(23)28-26-15)19(31)24-9-1-6-13(14(7-9)42(38,39)40)25-27-16-17(21(33)34)29-30(20(16)32)10-2-4-11(5-3-10)41(35,36)37/h1-8,16H,(H,24,31)(H,33,34)(H,35,36,37)(H,38,39,40)",C21H13Cl2N7O10S2,,,,,,QMDPJAHMESDXOK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.614,269-996-4,68399-89-3,2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-sulphonic acid,2-[(6-acetamido-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]-6-{[2-(sulfooxy)ethyl]sulfonyl}naphthalene-1-sulfonic acid,OS(=O)(=O)OCCS(=O)(=O)c3cc4ccc(N=Nc2c(cc1cc(ccc1c2O)NC(C)=O)S(O)(=O)=O)c(c4cc3)S(O)(=O)=O,OS(=O)(=O)OCCS(=O)(=O)c3cc4ccc(N=Nc2c(cc1cc(ccc1c2O)NC(C)=O)S(O)(=O)=O)c(c4cc3)S(O)(=O)=O,"InChI=1/C24H21N3O14S4/c1-13(28)25-16-3-5-18-15(10-16)12-21(43(32,33)34)22(23(18)29)27-26-20-7-2-14-11-17(4-6-19(14)24(20)44(35,36)37)42(30,31)9-8-41-45(38,39)40/h2-7,10-12,29H,8-9H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40)",C24H21N3O14S4,,,,,,GKTYMBPDFIBFLS-UHFFFAOYSA-N,,,,,,,,,,,
100.064.076,270-506-6,68443-05-0,"9-Octadecenoic acid (Z)-, sulfonated, sodium salts",sodium 17-carboxyheptadec-9-ene-1-sulfonate,[Na+].OC(=O)CCCCCCC\\C=C/CCCCCCCCS(=O)(=O)[O-],[Na+].OC(=O)CCCCCCC\C=C/CCCCCCCCS(=O)(=O)[O-],"InChI=1/C18H34O5S.Na/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24(21,22)23;/h1-2H,3-17H2,(H,19,20)(H,21,22,23);/q;+1/p-1",-,,,,,,OADKKJSQXULVPS-ODZAUARKSA-M,,,,,,,,,,,
100.065.368,271-926-2,68630-93-3,"Methyl 2-heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-1H-imidazole-1-propionate","methyl 3-{2-heptyl-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-2,3-dihydro-1H-imidazol-1-yl}propanoate",CCCCCCCC1N(CCOCCC(=O)OC)C=CN1CCC(=O)OC,CCCCCCCC1N(CCOCCC(=O)OC)C=CN1CCC(=O)OC,"InChI=1/C20H36N2O5/c1-4-5-6-7-8-9-18-21(12-10-19(23)25-2)13-14-22(18)15-17-27-16-11-20(24)26-3/h13-14,18H,4-12,15-17H2,1-3H3",C20H36N2O5,,,,,,QRPOISBXIZMALK-UHFFFAOYSA-N,,,,,,,,,,,
100.065.370,271-928-3,68630-95-5,"Sodium 2-heptyl-2,3-dihydro-3-(2-hydroxyethyl)-1H-imidazole-1-propionate","sodium 3-[2-heptyl-3-(2-hydroxyethyl)-2,3-dihydro-1H-imidazol-1-yl]propanoate",[Na+].CCCCCCCC1N(CCO)C=CN1CCC(=O)[O-],[Na+].CCCCCCCC1N(CCO)C=CN1CCC(=O)[O-],"InChI=1/C15H28N2O3.Na/c1-2-3-4-5-6-7-14-16(9-8-15(19)20)10-11-17(14)12-13-18;/h10-11,14,18H,2-9,12-13H2,1H3,(H,19,20);/q;+1/p-1",C15H28N2O3.Na,,,,,,YIJNRGGQSJNTGE-UHFFFAOYSA-M,,,,,,,,,,,
100.066.897,273-607-3,68990-53-4,"Glycerides, C14-22 mono-","3-(octadecyloxy)propane-1,2-diol",CCCCCCCCCCCCCCCCCCOCC(O)CO,CCCCCCCCCCCCCCCCCCOCC(O)CO,"InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3",-,,,,,,OGBUMNBNEWYMNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.898,273-608-9,68990-54-5,"Glycerides, C14-22 mono-, acetates",2-hydroxy-1-[(octadecyloxy)methyl]ethyl acetate,CCCCCCCCCCCCCCCCCCOCC(CO)OC(=O)C,CCCCCCCCCCCCCCCCCCOCC(CO)OC(=O)C,"InChI=1/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-23(20-24)27-22(2)25/h23-24H,3-21H2,1-2H3",-,,,,,,HUQABGDIJUXLRG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.983,299-029-1,93841-59-9,"9-hydroxy-1,2,5,6-tetramethyl-6H-pyrido[4,3-b]carbazolium acetate","9-hydroxy-1,2,5,6-tetramethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate",CC(=O)[O-].Cc1c2cc[n+](C)c(C)c2cc3c4cc(O)ccc4n(C)c13,CC(=O)[O-].Cc1c2cc[n+](C)c(C)c2cc3c4cc(O)ccc4n(C)c13,"InChI=1/C19H18N2O.C2H4O2/c1-11-14-7-8-20(3)12(2)15(14)10-17-16-9-13(22)5-6-18(16)21(4)19(11)17;1-2(3)4/h5-10H,1-4H3;1H3,(H,3,4)",C19H19N2O.C2H3O2,,,,,,DQJPJEAMOPDJHG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.987,299-033-3,93841-63-5,4-methyl-2-tridecyl-2-oxazoline-4-methanol,"(4-methyl-2-tridecyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCCCCCCCC1=NC(C)(CO)CO1,CCCCCCCCCCCCCC1=NC(C)(CO)CO1,"InChI=1/C18H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-19-18(2,15-20)16-21-17/h20H,3-16H2,1-2H3",C18H35NO2,,,,,,NJFOAUTWTZYJGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.990,299-037-5,93841-66-8,4-methyl-2-(15-methylhexadecyl)-2-oxazoline-4-methanol,"[4-methyl-2-(15-methylhexadecyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol",CC(C)CCCCCCCCCCCCCCC1=NC(C)(CO)CO1,CC(C)CCCCCCCCCCCCCCC1=NC(C)(CO)CO1,"InChI=1/C22H43NO2/c1-20(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-23-22(3,18-24)19-25-21/h20,24H,4-19H2,1-3H3",C22H43NO2,,,,,,OAQSAZVSDJOSNY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.751,286-656-0,85305-17-5,"7-[[4,6-bis[4-(2-aminoethyl)-1-piperazinyl]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(6-methylbenzothiazol-2-yl)phenyl]azo]naphthalene-2-sulphonic acid hydrochloride","7-({4,6-bis[4-(2-aminoethyl)piperazin-1-yl]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]diazenyl}naphthalene-2-sulfonic acid hydrochloride",Cl.NCCN1CCN(CC1)c2nc(nc(n2)N3CCN(CCN)CC3)Nc7cc8cc(c(N=Nc4ccc(cc4)c5nc6ccc(C)cc6s5)c(O)c8cc7)S(O)(=O)=O,Cl.NCCN1CCN(CC1)c2nc(nc(n2)N3CCN(CCN)CC3)Nc7cc8cc(c(N=Nc4ccc(cc4)c5nc6ccc(C)cc6s5)c(O)c8cc7)S(O)(=O)=O,"InChI=1/C39H45N13O4S2.ClH/c1-25-2-9-31-32(22-25)57-36(43-31)26-3-5-28(6-4-26)47-48-34-33(58(54,55)56)24-27-23-29(7-8-30(27)35(34)53)42-37-44-38(51-18-14-49(12-10-40)15-19-51)46-39(45-37)52-20-16-50(13-11-41)17-21-52;/h2-9,22-24,53H,10-21,40-41H2,1H3,(H,54,55,56)(H,42,44,45,46);1H",C39H45N13O4S2.xClH,,,,,,IYOLGDGAALODEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.762,286-668-6,85305-31-3,"Hydrogen (ethyl)[4-[a-[4-[ethyl(sulphonatobenzyl)amino]phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene](sulphonatobenzyl)ammonium","hydrogen 2-[(ethyl{4-[{4-[ethyl(2-sulfonatobenzyl)amino]phenyl}(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene}ammonio)methyl]benzenesulfonate",[H+].[O-]S(=O)(=O)c5ccccc5CN(CC)c1ccc(cc1)/C(c2ccccc2)=C\\3/C=C\\C(/C=C/3)=[N+](Cc4ccccc4S([O-])(=O)=O)CC,[H+].[O-]S(=O)(=O)c5ccccc5CN(CC)c1ccc(cc1)/C(c2ccccc2)=C\3/C=C\C(/C=C/3)=[N+](Cc4ccccc4S([O-])(=O)=O)CC,"InChI=1/C37H36N2O6S2.H2/c1-3-38(26-31-14-8-10-16-35(31)46(40,41)42)33-22-18-29(19-23-33)37(28-12-6-5-7-13-28)30-20-24-34(25-21-30)39(4-2)27-32-15-9-11-17-36(32)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);1H/q;+1/p-1",C37H36N2O6S2,,,,,,PGIREONJEJCORF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.993,299-040-1,93841-69-1,"4-ethyl-2-henicosyl-4,5-dihydrooxazole-4-methanol","(4-ethyl-2-henicosyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCCCCCCCCCCCCCCCC1=NC(CC)(CO)CO1,CCCCCCCCCCCCCCCCCCCCCC1=NC(CC)(CO)CO1,"InChI=1/C27H53NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-28-27(4-2,24-29)25-30-26/h29H,3-25H2,1-2H3",C27H53NO2,,,,,,SHDGHDNPKUYOTR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.997,299-044-3,93841-73-7,"Octaammonium [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","octaammonium {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.8H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);8*1H3",C10H28N2O12P4.8H3N,,,,,,PNDLZZIKYZCASU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.628,300-836-9,93963-91-8,"1,1'-ethylenebis[4,5-dihydro-2-(heptadecenyl)-1H-imidazole]","1,1'-ethane-1,2-diylbis(2-heptadec-1-en-1-yl-4,5-dihydro-1H-imidazole)",CCCCCCCCCCCCCCCC=C\\C2=N\\CCN2CCN1CC\\N=C1\\C=CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC=C\C2=N\CCN2CCN1CC\N=C1\C=CCCCCCCCCCCCCCCC,"InChI=1/C42H78N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-43-35-37-45(41)39-40-46-38-36-44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30,35-40H2,1-2H3",C42H78N4,,,,,,JDPQVQWKTYBHRX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.637,300-846-3,93964-00-2,"5-oxo-L-proline, compound with (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol (1:1)","5-oxo-L-proline - 3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol (1:1)",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)[C@@H]6CCC(=O)N6,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)[C@@H]6CCC(=O)N6,"InChI=1/C18H21NO3.C5H7NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;7-4-2-1-3(6-4)5(8)9/h3-6,11-13,17,20H,7-9H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C18H21NO3.C5H7NO3,,,,,,NIJHJJMLAKLIMI-QRPBZDQQSA-N,,,,,,,,,,,
100.091.643,300-853-1,93964-06-8,N-(2-ethylhexyl)-1-[[3-methyl-4-[(2-methylphenyl)azo]phenyl]azo]naphthalen-2-amine,N-(2-ethylhexyl)-1-({3-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)naphthalen-2-amine,Cc4ccccc4N=Nc1ccc(cc1C)N=Nc2c3ccccc3ccc2NCC(CC)CCCC,Cc4ccccc4N=Nc1ccc(cc1C)N=Nc2c3ccccc3ccc2NCC(CC)CCCC,"InChI=1/C32H37N5/c1-5-7-13-25(6-2)22-33-31-19-17-26-14-9-10-15-28(26)32(31)37-34-27-18-20-30(24(4)21-27)36-35-29-16-11-8-12-23(29)3/h8-12,14-21,25,33H,5-7,13,22H2,1-4H3",C32H37N5,,,,,,SXVHVJCVEMSNCS-UHFFFAOYSA-N,,,,,,,,,,,
100.069.777,276-778-2,72716-70-2,"Ethyl a-formyl-1,3-benzodioxole-5-propanoate","ethyl 3-(1,3-benzodioxol-5-yl)-2-formylpropanoate",CCOC(=O)C(Cc1ccc2OCOc2c1)C=O,CCOC(=O)C(Cc1ccc2OCOc2c1)C=O,"InChI=1/C13H14O5/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-4,6-7,10H,2,5,8H2,1H3",C13H14O5,,,,,,MPWATBGBEKGSJA-UHFFFAOYSA-N,,,,,,,,,,,
100.069.784,276-786-6,72724-83-5,"1-[1,2-dihydro-6-hydroxy-4-methyl-5-[[2-[(nonyloxy)carbonyl]phenyl]azo]-2-oxo-3-pyridyl]pyridinium chloride","1-[6-hydroxy-4-methyl-5-({2-[(nonyloxy)carbonyl]phenyl}diazenyl)-2-oxo-1,2-dihydropyridin-3-yl]pyridinium chloride",[Cl-].O=C3NC(\\O)=C(\\N=Nc1ccccc1C(=O)OCCCCCCCCC)C(\\C)=C3\\[n+]2ccccc2,[Cl-].O=C3NC(\O)=C(\N=Nc1ccccc1C(=O)OCCCCCCCCC)C(\C)=C3\[n+]2ccccc2,"InChI=1/C27H32N4O4.ClH/c1-3-4-5-6-7-8-14-19-35-27(34)21-15-10-11-16-22(21)29-30-23-20(2)24(26(33)28-25(23)32)31-17-12-9-13-18-31;/h9-13,15-18H,3-8,14,19H2,1-2H3,(H-,28,29,32,33,34);1H",C27H33N4O4.Cl,,,,,,ZXGFIKQYPRHHLC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.789,276-791-3,72727-59-4,"(3,3-dimethoxy-2,2-dimethylpropyl)benzene","(3,3-dimethoxy-2,2-dimethylpropyl)benzene",COC(OC)C(C)(C)Cc1ccccc1,COC(OC)C(C)(C)Cc1ccccc1,"InChI=1/C13H20O2/c1-13(2,12(14-3)15-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3",C13H20O2,,,,,,ONRRGZQJJNDUPR-UHFFFAOYSA-N,,,,,,,,,,,
100.069.791,276-793-4,72727-61-8,2-(cyclohexyloxy)-1-methylethyl acetate,2-(cyclohexyloxy)-1-methylethyl acetate,CC(COC1CCCCC1)OC(=O)C,CC(COC1CCCCC1)OC(=O)C,"InChI=1/C11H20O3/c1-9(14-10(2)12)8-13-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3",C11H20O3,,,,,,KALNAECRVKZDPI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.792,276-795-5,72727-62-9,"1,2,2-trimethyl-3-phenylpropyl acetate","1,2,2-trimethyl-3-phenylpropyl acetate",CC(OC(=O)C)C(C)(C)Cc1ccccc1,CC(OC(=O)C)C(C)(C)Cc1ccccc1,"InChI=1/C14H20O2/c1-11(16-12(2)15)14(3,4)10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3",C14H20O2,,,,,,QLKMBJWEWZIWQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.795,276-798-1,72727-65-2,Decahydro-a-methylnaphthalene-2-methanol,1-(decahydronaphthalen-2-yl)ethanol,CC(O)C1CCC2CCCCC2C1,CC(O)C1CCC2CCCCC2C1,"InChI=1/C12H22O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h9-13H,2-8H2,1H3",C12H22O,,,,,,KEBJPGDSNHGJFB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.797,276-800-0,72727-67-4,4-bicyclo[2.2.1]hept-2-yl-3-methyl-3-buten-2-one,4-bicyclo[2.2.1]hept-2-yl-3-methylbut-3-en-2-one,CC(=O)C(C)=CC2CC1CCC2C1,CC(=O)C(C)=CC2CC1CCC2C1,"InChI=1/C12H18O/c1-8(9(2)13)5-12-7-10-3-4-11(12)6-10/h5,10-12H,3-4,6-7H2,1-2H3",C12H18O,,,,,,SVXXTRPQQQPJMI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.811,276-815-2,72749-78-1,"Sodium 1-amino-9,10-dihydro-4-[[4-[(2-naphthylsulphonyl)amino]cyclohexyl]amino]-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-({4-[(2-naphthylsulfonyl)amino]cyclohexyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCC(CC4)NS(=O)(=O)c5ccc6ccccc6c5)cc1S(=O)(=O)[O-],[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCC(CC4)NS(=O)(=O)c5ccc6ccccc6c5)cc1S(=O)(=O)[O-],"InChI=1/C30H27N3O7S2.Na/c31-28-25(42(38,39)40)16-24(26-27(28)30(35)23-8-4-3-7-22(23)29(26)34)32-19-10-12-20(13-11-19)33-41(36,37)21-14-9-17-5-1-2-6-18(17)15-21;/h1-9,14-16,19-20,32-33H,10-13,31H2,(H,38,39,40);/q;+1/p-1",C30H27N3O7S2.Na,,,,,,DLKKTKBBFZACTQ-UHFFFAOYSA-M,,,,,,,,,,,
100.063.622,270-005-2,68399-99-5,"2-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide","2-{[2-chloro-5-(trifluoromethyl)phenyl]diazenyl}-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",FC(F)(F)c3cc(N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1)c(Cl)cc3,FC(F)(F)c3cc(N=NC(C(C)=O)C(=O)Nc1ccc2NC(=O)Nc2c1)c(Cl)cc3,"InChI=1/C18H13ClF3N5O3/c1-8(28)15(27-26-13-6-9(18(20,21)22)2-4-11(13)19)16(29)23-10-3-5-12-14(7-10)25-17(30)24-12/h2-7,15H,1H3,(H,23,29)(H2,24,25,30)",C18H13ClF3N5O3,,,,,,DZEAVLGCIUOLBY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.111,270-544-3,68443-65-2,2-hydroxyheptyl formate,2-hydroxyheptyl formate,CCCCCC(O)COC=O,CCCCCC(O)COC=O,"InChI=1/C8H16O3/c1-2-3-4-5-8(10)6-11-7-9/h7-8,10H,2-6H2,1H3",C8H16O3,,,,,,CGPQXTSYZUTIPW-UHFFFAOYSA-N,,,,,,,,,,,
100.066.941,273-656-0,68991-92-4,"1-(2-carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium",3-[2-hexyl-3-(2-hydroxyethyl)imidazolidin-1-ium-1-yl]propanoate,CCCCCCC1N(CCO)CC[NH+]1CCC(=O)[O-],CCCCCCC1N(CCO)CC[NH+]1CCC(=O)[O-],"InChI=1/C14H28N2O3/c1-2-3-4-5-6-13-15(8-7-14(18)19)9-10-16(13)11-12-17/h13,17H,2-12H2,1H3,(H,18,19)",C14H26N2O3,,,,,,AMOZZGMWMYFPPT-UHFFFAOYSA-N,,,,,,,,,,,
100.069.823,276-828-3,72779-06-7,3-methyl-2-butenyl 3-methyl-2-butenoate,3-methylbut-2-en-1-yl 3-methylbut-2-enoate,CC(=CCOC(=O)C=C(C)C)C,CC(=CCOC(=O)C=C(C)C)C,"InChI=1/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,7H,6H2,1-4H3",C10H16O2,,,,,,CBERZXRMIOEKPW-UHFFFAOYSA-N,,,,,,,,,,,
100.069.829,276-835-1,72785-14-9,3-methyl-5-cyclohexadecen-1-one,3-methylcyclohexadec-5-en-1-one,CC1C\\C=C/CCCCCCCCCCC(=O)C1,CC1C\C=C/CCCCCCCCCCC(=O)C1,"InChI=1/C17H30O/c1-16-13-11-9-7-5-3-2-4-6-8-10-12-14-17(18)15-16/h9,11,16H,2-8,10,12-15H2,1H3",C17H30O,,,,,,GBCSDBVICWZSEG-LUAWRHEFSA-N,,,,,,,,,,,
100.069.831,276-837-2,72785-16-1,Cyclopentadec-8-en-1-one,cyclopentadec-8-en-1-one,O=C1CCCCCC\\C=C\\CCCCCC1,O=C1CCCCCC\C=C\CCCCCC1,"InChI=1/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-2H,3-14H2",C15H26O,,,,,,KUZFTOAYXWRQAA-OWOJBTEDSA-N,,,,,,,,,,,
100.091.646,300-856-8,93964-09-1,N-(2-ethylhexyl)-1-[[2-methyl-4-[(3-methylphenyl)azo]phenyl]azo]naphthalen-2-amine,N-(2-ethylhexyl)-1-({2-methyl-4-[(3-methylphenyl)diazenyl]phenyl}diazenyl)naphthalen-2-amine,Cc1cc(ccc1)N=Nc4ccc(N=Nc2c3ccccc3ccc2NCC(CC)CCCC)c(C)c4,Cc1cc(ccc1)N=Nc4ccc(N=Nc2c3ccccc3ccc2NCC(CC)CCCC)c(C)c4,"InChI=1/C32H37N5/c1-5-7-12-25(6-2)22-33-31-18-16-26-13-8-9-15-29(26)32(31)37-36-30-19-17-28(21-24(30)4)35-34-27-14-10-11-23(3)20-27/h8-11,13-21,25,33H,5-7,12,22H2,1-4H3",C32H37N5,,,,,,IQEARZIWYMSQMF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.656,300-867-8,93964-19-3,7-anilino-3-[[4-[(4-chloro-2-sulphophenyl)azo]-2-methoxy-6-sulphonaphthyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,7-anilino-3-({4-[(4-chloro-2-sulfophenyl)diazenyl]-2-methoxy-6-sulfo-1-naphthyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid,Clc6cc(c(N=Nc5cc(OC)c(N=Nc3c(cc2cc(Nc1ccccc1)ccc2c3O)S(O)(=O)=O)c4ccc(cc45)S(O)(=O)=O)cc6)S(O)(=O)=O,Clc6cc(c(N=Nc5cc(OC)c(N=Nc3c(cc2cc(Nc1ccccc1)ccc2c3O)S(O)(=O)=O)c4ccc(cc45)S(O)(=O)=O)cc6)S(O)(=O)=O,"InChI=1/C33H24ClN5O11S3/c1-50-28-17-27(37-36-26-12-7-19(34)15-29(26)52(44,45)46)25-16-22(51(41,42)43)9-11-24(25)31(28)38-39-32-30(53(47,48)49)14-18-13-21(8-10-23(18)33(32)40)35-20-5-3-2-4-6-20/h2-17,35,40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)",C33H24ClN5O11S3,,,,,,ILAVSFDCLNQBQY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.753,298-775-5,93839-03-3,"N-acetyl-L-valine, compound with 2-(dimethylamino)ethanol (1:1)",N-acetyl-L-valine - 2-(dimethylamino)ethanol (1:1),CC(C)[C@H](NC(=O)C)C(=O)O.CN(C)CCO,CC(C)[C@H](NC(=O)C)C(=O)O.CN(C)CCO,"InChI=1/C7H13NO3.C4H11NO/c1-4(2)6(7(10)11)8-5(3)9;1-5(2)3-4-6/h4,6H,1-3H3,(H,8,9)(H,10,11);6H,3-4H2,1-2H3",C7H13NO3.C4H11NO,,,,,,HPGDEHCKFBUQFW-RGMNGODLSA-N,,,,,,,,,,,
100.089.758,298-780-2,93839-11-3,"Octadec-9-enyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:2)","octadec-9-en-1-yl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OCCCCCCCCC=CCCCCCCCC,OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C18H37O4P.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;2*8-4-1-7(2-5-9)3-6-10/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);2*8-10H,1-6H2",C18H37O4P.2C6H15NO3,,,,,,ZXVJTVXRGHSNBK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.759,298-781-8,93839-12-4,"N,N-bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide","N,N-bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide",[Br-].COC(=O)CC[N+](C)(CCC(=O)OC)c1ccccc1,[Br-].COC(=O)CC[N+](C)(CCC(=O)OC)c1ccccc1,"InChI=1/C15H22NO4.BrH/c1-16(11-9-14(17)19-2,12-10-15(18)20-3)13-7-5-4-6-8-13;/h4-8H,9-12H2,1-3H3;1H/q+1;/p-1",C15H22NO4.Br,,,,,,GAFVDKIUMGDWJV-UHFFFAOYSA-M,,,,,,,,,,,
100.089.760,298-782-3,93839-13-5,4-(4-chlorophenyl)-4-hydroxypiperidin-2-one,4-(4-chlorophenyl)-4-hydroxypiperidin-2-one,OC1(CCNC(=O)C1)c2ccc(Cl)cc2,OC1(CCNC(=O)C1)c2ccc(Cl)cc2,"InChI=1/C11H12ClNO2/c12-9-3-1-8(2-4-9)11(15)5-6-13-10(14)7-11/h1-4,15H,5-7H2,(H,13,14)",C11H12ClNO2,,,,,,FOZDUEGEXJAZGP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.764,298-787-0,93839-17-9,Acetyl(2-chloro-6-fluorophenyl)acetonitrile,2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile,CC(=O)C(C#N)c1c(F)cccc1Cl,CC(=O)C(C#N)c1c(F)cccc1Cl,"InChI=1/C10H7ClFNO/c1-6(14)7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7H,1H3",C10H7ClFNO,,,,,,DARQRNNQPWWWJT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.765,298-788-6,93839-18-0,2-acetyl-2-(2-chloro-6-fluorophenyl)acetic acid,2-(2-chloro-6-fluorophenyl)-3-oxobutanoic acid,CC(=O)C(C(=O)O)c1c(F)cccc1Cl,CC(=O)C(C(=O)O)c1c(F)cccc1Cl,"InChI=1/C10H8ClFO3/c1-5(13)8(10(14)15)9-6(11)3-2-4-7(9)12/h2-4,8H,1H3,(H,14,15)",C10H8ClFO3,,,,,,DGIQOGVGGQUAGH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.766,298-789-1,93839-19-1,2-(2-fluorophenyl)-3-oxobutyronitrile,2-(2-fluorophenyl)-3-oxobutanenitrile,CC(=O)C(C#N)c1ccccc1F,CC(=O)C(C#N)c1ccccc1F,"InChI=1/C10H8FNO/c1-7(13)9(6-12)8-4-2-3-5-10(8)11/h2-5,9H,1H3",C10H8FNO,,,,,,AMRZXBJBTQMMOR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.779,298-804-1,93839-34-0,N-[2-[(2-aminoethyl)amino]ethyl]-N-dodecylglycine,N-{2-[(2-aminoethyl)amino]ethyl}-N-dodecylglycine,CCCCCCCCCCCCN(CCNCCN)CC(=O)O,CCCCCCCCCCCCN(CCNCCN)CC(=O)O,"InChI=1/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-15-21(17-18(22)23)16-14-20-13-12-19/h20H,2-17,19H2,1H3,(H,22,23)",C18H39N3O2,,,,,,XBBCNNLBNDCZKG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.781,298-806-2,93839-36-2,N-(2-aminoethyl)-N-octylethylenediamine acetate,"N-(2-aminoethyl)-N-octylethane-1,2-diamine acetate",CCCCCCCCN(CCN)CCN.CC(=O)O,CCCCCCCCN(CCN)CCN.CC(=O)O,"InChI=1/C12H29N3.C2H4O2/c1-2-3-4-5-6-7-10-15(11-8-13)12-9-14;1-2(3)4/h2-14H2,1H3;1H3,(H,3,4)",C12H29N3.xC2H4O2,,,,,,YELHSVCMXACFML-UHFFFAOYSA-N,,,,,,,,,,,
100.089.782,298-807-8,93839-37-3,"N'-(2-aminoethyl)-N,N-dioctylethylenediamine","N'-(2-aminoethyl)-N,N-dioctylethane-1,2-diamine",CCCCCCCCN(CCCCCCCC)CCNCCN,CCCCCCCCN(CCCCCCCC)CCNCCN,"InChI=1/C20H45N3/c1-3-5-7-9-11-13-18-23(20-17-22-16-15-21)19-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3",C20H45N3,,,,,,ZTVRNIVECNHKTG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.785,298-810-4,93839-40-8,"N-octyl-N'-[2-(octylamino)ethyl]ethylenediamine, compound with acetic acid","N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine acetate",CCCCCCCCNCCNCCNCCCCCCCC.CC(=O)O,CCCCCCCCNCCNCCNCCCCCCCC.CC(=O)O,"InChI=1/C20H45N3.C2H4O2/c1-3-5-7-9-11-13-15-21-17-19-23-20-18-22-16-14-12-10-8-6-4-2;1-2(3)4/h21-23H,3-20H2,1-2H3;1H3,(H,3,4)",C20H45N3.xC2H4O2,,,,,,AIYPHXGJRIVRMP-UHFFFAOYSA-N,,,,,,,,,,,
100.065.651,272-238-5,68784-31-6,"Phosphorodithioic acid, mixed O,O-bis(sec-Bu and 1,3-dimethylbutyl) esters, zinc salts","zinc bis[O-sec-butyl O-(1,3-dimethylbutyl) dithiophosphate]",[Zn+2].CCC(C)OP(=S)([S-])OC(C)CC(C)C.CCC(C)OP(=S)([S-])OC(C)CC(C)C,[Zn+2].CCC(C)OP(=S)([S-])OC(C)CC(C)C.CCC(C)OP(=S)([S-])OC(C)CC(C)C,"InChI=1/2C10H23O2PS2.Zn/c2*1-6-9(4)11-13(14,15)12-10(5)7-8(2)3;/h2*8-10H,6-7H2,1-5H3,(H,14,15);/q;;+2/p-2",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11593,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.651,PWMSQVOBEKFBRF-UHFFFAOYSA-L,,,,,,,,,,,
100.066.948,273-663-9,68991-99-1,"2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt","pentasodium 5-[(4-chloro-6-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]amino}-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc7nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc6ccc(Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)cc6S([O-])(=O)=O)n7,[Na+].[Na+].[Na+].[Na+].[Na+].Clc7nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc6ccc(Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)cc6S([O-])(=O)=O)n7,"InChI=1/C34H24Cl2N12O16S5.5Na/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-20(24(13-17)68(59,60)61)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-21-6-1-2-7-23(21)67(56,57)58;;;;;/h1-14,49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46);;;;;/q;5*+1/p-5",C34H24Cl2N12O16S5.5Na,,,,,,YRHAQMOYSPBQTN-UHFFFAOYSA-I,,,,,,,,,,,
100.066.953,273-669-1,68992-04-1,"Disodium 2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulphonatophenyl)ethyl]-3-pyridyl]azo]-5-[(3-phosphonophenyl)azo]benzenesulphonate","disodium 2-({5-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfonatophenyl)ethyl]-1,6-dihydropyridin-3-yl}diazenyl)-5-[(3-phosphonophenyl)diazenyl]benzenesulfonate",[Na+].[Na+].OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=N/C3=C(\\O)N(CCc2ccc(cc2)S([O-])(=O)=O)C(=O)/C(=C3/C)C(N)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=N/C3=C(\O)N(CCc2ccc(cc2)S([O-])(=O)=O)C(=O)/C(=C3/C)C(N)=O)c(c4)S([O-])(=O)=O,"InChI=1/C27H25N6O12PS2.2Na/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39;;/h2-10,13-14,36H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C27H25N6O12PS2.2Na,,,,,,SUBLOPDCYPEQCZ-UHFFFAOYSA-L,,,,,,,,,,,
100.066.960,273-677-5,68998-32-3,Trirubidium terbium bis(phosphate),trirubidium terbium bis(phosphate),[Rb+].[Rb+].[Rb+].[Tb+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Rb+].[Rb+].[Rb+].[Tb+3].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/2H3O4P.3Rb.Tb/c2*1-5(2,3)4;;;;/h2*(H3,1,2,3,4);;;;/q;;3*+1;+3/p-6",H3O4P.3/2Rb.1/2Tb,,,,,,DULSJMJSLCZUAH-UHFFFAOYSA-H,,,,,,,,,,,
100.069.857,276-866-0,72814-85-8,"4,4'-bis(2,5-dimethylstyryl)-1,1'-biphenyl","4,4'-bis[2-(2,5-dimethylphenyl)vinyl]biphenyl",Cc1ccc(C)c(\\C=C\\c2ccc(cc2)c3ccc(\\C=C\\c4cc(C)ccc4C)cc3)c1,Cc1ccc(C)c(\C=C\c2ccc(cc2)c3ccc(\C=C\c4cc(C)ccc4C)cc3)c1,"InChI=1/C32H30/c1-23-5-7-25(3)31(21-23)19-13-27-9-15-29(16-10-27)30-17-11-28(12-18-30)14-20-32-22-24(2)6-8-26(32)4/h5-22H,1-4H3",C32H30,,,,,,AMDSCXLLKXHWOJ-IWGRKNQJSA-N,,,,,,,,,,,
100.065.691,272-282-5,68784-91-8,"3,5-dimethyl-1-(2-methylpropyl)hexyl stearate","1-isobutyl-3,5-dimethylhexyl stearate",CCCCCCCCCCCCCCCCCC(=O)OC(CC(C)C)CC(C)CC(C)C,CCCCCCCCCCCCCCCCCC(=O)OC(CC(C)C)CC(C)CC(C)C,"InChI=1/C30H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(31)32-29(24-27(4)5)25-28(6)23-26(2)3/h26-29H,7-25H2,1-6H3",C30H60O2,,,,,,QCFGBQPPERBYMA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.693,272-284-6,68784-93-0,"(5-tert-butyl-4-neopentyl-3H-1,2-dithiol-3-ylidene]methylsulphonium chloride","[5-tert-butyl-4-(2,2-dimethylpropyl)-3H-1,2-dithiol-3-ylidene](methyl)sulfonium chloride",[Cl-].CC(C)(C)C=1SSC(=[S+]C)C=1CC(C)(C)C,[Cl-].CC(C)(C)C=1SSC(=[S+]C)C=1CC(C)(C)C,"InChI=1/C13H23S3.ClH/c1-12(2,3)8-9-10(13(4,5)6)15-16-11(9)14-7;/h8H2,1-7H3;1H/q+1;/p-1",C13H23S3.Cl,,,,,,PZAXPDVHHXBKOS-UHFFFAOYSA-M,,,,,,,,,,,
100.065.701,272-293-5,68791-47-9,"9-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate","9-fluoro-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl butyrate",CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO,"InChI=1/C25H33FO6/c1-4-5-21(31)32-24(20(30)14-27)11-9-17-18-7-6-15-12-16(28)8-10-22(15,2)25(18,26)19(29)13-23(17,24)3/h8,10,12,17-19,27,29H,4-7,9,11,13-14H2,1-3H3",C25H33FO6,,,,,,JMNCBDUSHPYROE-ZLOBPOPUSA-N,,,,,,,,,,,
100.065.713,272-305-9,68797-61-5,"5-bromo-4,6-dichloropyrimidine","5-bromo-4,6-dichloropyrimidine",Clc1ncnc(Cl)c1Br,Clc1ncnc(Cl)c1Br,InChI=1/C4HBrCl2N2/c5-2-3(6)8-1-9-4(2)7/h1H,C4HBrCl2N2,,,,,,BKLHHTTZTSYHBV-UHFFFAOYSA-N,,,,,,,,,,,
100.065.715,272-308-5,68797-67-1,Methyl 5-methylhex-2-enoate,methyl 5-methylhex-2-enoate,CC(C)CC=CC(=O)OC,CC(C)CC=CC(=O)OC,"InChI=1/C8H14O2/c1-7(2)5-4-6-8(9)10-3/h4,6-7H,5H2,1-3H3",C8H14O2,,,,,,KNSMNULJDOTFMN-UHFFFAOYSA-N,,,,,,,,,,,
100.065.716,272-309-0,68797-68-2,"7-hydroxy-3,7-dimethyloctanenitrile","7-hydroxy-3,7-dimethyloctanenitrile",CC(CCCC(C)(C)O)CC#N,CC(CCCC(C)(C)O)CC#N,"InChI=1/C10H19NO/c1-9(6-8-11)5-4-7-10(2,3)12/h9,12H,4-7H2,1-3H3",C10H19NO,,,,,,UQHYGZPJERPFLI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.665,300-877-2,93964-28-4,3-ethyl-2-[[1-ethyl-4-[(3-ethyl-3H-benzoselenazol-2-ylidene)ethylidene]-5-oxo-3-phenylimidazolidin-2-ylidene]methyl]benzoselenazolium iodide,"3-ethyl-2-({1-ethyl-4-[2-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)ethylidene]-5-oxo-3-phenylimidazolidin-2-ylidene}methyl)-1,3-benzoselenazol-3-ium iodide",[I-].CC[n+]5c6ccccc6[se]c5C=C4N(CC)C(=O)C(=CC=C2[Se]c1ccccc1N2CC)N4c3ccccc3,[I-].CC[n+]5c6ccccc6[se]c5C=C4N(CC)C(=O)C(=CC=C2[Se]c1ccccc1N2CC)N4c3ccccc3,-,C32H31N4OSe2.I,,,,,,BDDKZXTYLKCYSK-UHFFFAOYSA-M,,,,,,,,,,,
100.091.669,300-881-4,93964-35-3,Lithium 1-(2-aminoethyl) 2-dodecenylsuccinate,lithium 3-[(2-aminoethoxy)carbonyl]pentadec-5-enoate,[Li+].NCCOC(=O)C(CC=CCCCCCCCCC)CC([O-])=O,[Li+].NCCOC(=O)C(CC=CCCCCCCCCC)CC([O-])=O,"InChI=1/C18H33NO4.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16(15-17(20)21)18(22)23-14-13-19;/h10-11,16H,2-9,12-15,19H2,1H3,(H,20,21);/q;+1/p-1",C18H33NO4.Li,,,,,,FXXUTCWAEPIWDE-UHFFFAOYSA-M,,,,,,,,,,,
100.091.670,300-883-5,93964-36-4,"Octadecen-1-ol, phosphate, compd. with 2,2'-iminobis[ethanol]",-,OCCNCCO.[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC,OCCNCCO.[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC,"InChI=1/C18H37O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;6-3-1-5-2-4-7/h17-18H,2-16H2,1H3,(H2,19,20,21);5-7H,1-4H2/p-2",-,,,,,,YNAYOEYTFCHZFM-UHFFFAOYSA-L,,,,,,,,,,,
100.078.812,286-723-4,85338-47-2,(phenylmethyl)-4-[(phenylmethyl)phenyl]phenol,"2',3-dibenzylbiphenyl-4-ol",Oc1ccc(cc1Cc2ccccc2)c3ccccc3Cc4ccccc4,Oc1ccc(cc1Cc2ccccc2)c3ccccc3Cc4ccccc4,"InChI=1/C26H22O/c27-26-16-15-23(19-24(26)18-21-11-5-2-6-12-21)25-14-8-7-13-22(25)17-20-9-3-1-4-10-20/h1-16,19,27H,17-18H2",C26H22O,,,,,,FMUWLBYSIFCENA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.818,286-730-2,85353-67-9,"(phenylmethyl)[1,1'-biphenyl]-4-ol",2-benzylbiphenyl-4-ol,Oc1ccc(c(Cc2ccccc2)c1)c3ccccc3,Oc1ccc(c(Cc2ccccc2)c1)c3ccccc3,"InChI=1/C19H16O/c20-18-11-12-19(16-9-5-2-6-10-16)17(14-18)13-15-7-3-1-4-8-15/h1-12,14,20H,13H2",C19H16O,,,,,,RVZWRZSXBTVZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.839,286-753-8,85391-01-1,"3',6'-dibutoxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-dibutoxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCOc1ccc2c(Oc3cc(OCCCC)ccc3C24OC(=O)c5ccccc45)c1,CCCCOc1ccc2c(Oc3cc(OCCCC)ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C28H28O5/c1-3-5-15-30-19-11-13-23-25(17-19)32-26-18-20(31-16-6-4-2)12-14-24(26)28(23)22-10-8-7-9-21(22)27(29)33-28/h7-14,17-18H,3-6,15-16H2,1-2H3",C28H28O5,,,,,,NISVSXJMPPNUMP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.820,298-849-7,93839-77-1,"Sodium tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate",sodium abietan-18-oate,[Na+].CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(=O)[O-])C1,[Na+].CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(=O)[O-])C1,"InChI=1/C20H34O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h13-17H,5-12H2,1-4H3,(H,21,22);/q;+1/p-1",C20H34O2.Na,,,,,,LGMVLKTYFVXBLU-UHFFFAOYSA-M,,,,,,,,,,,
100.091.696,300-911-6,93964-65-9,"3,3'-[(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)diimino]bis[6-anilinobenzenesulphonic] acid","3,3'-[(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)diimino]bis(6-anilinobenzenesulfonic acid)",OS(=O)(=O)c1cc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccc(Nc4ccccc4)c(c3)S(=O)(=O)O)ccc1Nc5ccccc5,OS(=O)(=O)c1cc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccc(Nc4ccccc4)c(c3)S(=O)(=O)O)ccc1Nc5ccccc5,"InChI=1/C30H22Cl2N4O8S2/c31-25-27(35-19-11-13-21(23(15-19)45(39,40)41)33-17-7-3-1-4-8-17)29(37)26(32)28(30(25)38)36-20-12-14-22(24(16-20)46(42,43)44)34-18-9-5-2-6-10-18/h1-16,33-36H,(H,39,40,41)(H,42,43,44)",C30H22Cl2N4O8S2,,,,,,AGSDLBDGIVXKLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.700,300-915-8,93964-69-3,Cyclooct-4-en-1-yl valerate,cyclooct-4-en-1-yl valerate,CCCCC(=O)OC1CCCC=CCC1,CCCCC(=O)OC1CCCC=CCC1,"InChI=1/C13H22O2/c1-2-3-11-13(14)15-12-9-7-5-4-6-8-10-12/h4-5,12H,2-3,6-11H2,1H3",C13H22O2,,,,,,WIJXCQOLWPIWPZ-PLNGDYQASA-N,,,,,,,,,,,
100.091.704,300-920-5,93964-73-9,Ethyl DL-cysteinate hydrochloride,ethyl L-cysteinate hydrochloride,Cl.CCOC(=O)[C@@H](N)CS,Cl.CCOC(=O)[C@@H](N)CS,"InChI=1/C5H11NO2S.ClH/c1-2-8-5(7)4(6)3-9;/h4,9H,2-3,6H2,1H3;1H",C5H11NO2S.ClH,,,,,,JFKJWWJOCJHMGV-WCCKRBBISA-N,,,,,,,,,,,
100.091.705,300-921-0,93964-74-0,N5-(aminocarbonyl)-N2-formyl-L-ornithine,N~5~-carbamoyl-N~2~-formyl-L-ornithine,NC(=O)NCCC[C@H](NC=O)C(=O)O,NC(=O)NCCC[C@H](NC=O)C(=O)O,"InChI=1/C7H13N3O4/c8-7(14)9-3-1-2-5(6(12)13)10-4-11/h4-5H,1-3H2,(H,10,11)(H,12,13)(H3,8,9,14)",C7H13N3O4,,,,,,ZKAPYXOGIYHULU-YFKPBYRVSA-N,,,,,,,,,,,
100.091.707,300-923-1,93964-76-2,N2-formyl-L-arginine,N~2~-formyl-L-arginine,NC(=N)NCCC[C@H](NC=O)C(=O)O,NC(=N)NCCC[C@H](NC=O)C(=O)O,"InChI=1/C7H14N4O3/c8-7(9)10-3-1-2-5(6(13)14)11-4-12/h4-5H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)",C7H14N4O3,,,,,,MBDCBOQSTZRKJP-YFKPBYRVSA-N,,,,,,,,,,,
100.091.721,300-938-3,93964-90-0,N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[(2-mesyl-4-nitrophenyl)azo]aniline,N-[2-(dodecyloxy)ethyl]-N-ethyl-4-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}aniline,CCN(CCOCCCCCCCCCCCC)c2ccc(N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)cc2,CCN(CCOCCCCCCCCCCCC)c2ccc(N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)cc2,"InChI=1/C29H44N4O5S/c1-4-6-7-8-9-10-11-12-13-14-22-38-23-21-32(5-2)26-17-15-25(16-18-26)30-31-28-20-19-27(33(34)35)24-29(28)39(3,36)37/h15-20,24H,4-14,21-23H2,1-3H3",C29H44N4O5S,,,,,,RKBNMTZAMLNIGP-UHFFFAOYSA-N,,,,,,,,,,,
100.069.384,276-345-8,72102-91-1,"9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium perchlorate","9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-18-ium perchlorate",OC(=O)c1ccccc1c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78.[O-]Cl(=O)(=O)=O,OC(=O)c1ccccc1c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78.[O-]Cl(=O)(=O)=O,"InChI=1/C32H30N2O3.ClHO4/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;2-1(3,4)5/h1-2,9-10,17-18H,3-8,11-16H2;(H,2,3,4,5)",C32H31N2O3.ClO4,,,,,,PCNFRJWIPOFQLA-UHFFFAOYSA-M,,,,,,,,,,,
100.069.389,276-351-0,72121-71-2,"4-[(2,3-dichlorophenyl)azo]-3-hydroxy-2-naphthoic acid","4-[(2,3-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthoic acid",Clc3c(N=Nc1c2ccccc2cc(C(O)=O)c1O)cccc3Cl,Clc3c(N=Nc1c2ccccc2cc(C(O)=O)c1O)cccc3Cl,"InChI=1/C17H10Cl2N2O3/c18-12-6-3-7-13(14(12)19)20-21-15-10-5-2-1-4-9(10)8-11(16(15)22)17(23)24/h1-8,22H,(H,23,24)",C17H10Cl2N2O3,,,,,,BNMBORNABWCVGL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.391,276-353-1,72121-81-4,"Disodium p-[4,5-dihydro-4-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","disodium 4-{4-[(4-methoxy-3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(ccc1OC)N=NC3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(ccc1OC)N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,"InChI=1/C19H20N4O11S3.2Na/c1-12-18(19(24)23(22-12)14-4-6-15(7-5-14)36(27,28)29)21-20-13-3-8-16(33-2)17(11-13)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,18H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C19H20N4O11S3.2Na,,,,,,DLVXYSKVSXWEFE-UHFFFAOYSA-L,,,,,,,,,,,
100.063.913,270-325-2,68424-85-1,"Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides","N-benzyl-N,N-dimethyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1",-,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7825,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.913,OCBHHZMJRVXXQK-UHFFFAOYSA-M,,,,,,,,,,,
100.066.778,273-477-8,68975-79-1,"3-[(6-amino-3,5,5-trimethylhexyl)amino]propiononitrile","3-[(6-amino-3,5,5-trimethylhexyl)amino]propanenitrile",CC(CCNCCC#N)CC(C)(C)CN,CC(CCNCCC#N)CC(C)(C)CN,"InChI=1/C12H25N3/c1-11(9-12(2,3)10-14)5-8-15-7-4-6-13/h11,15H,4-5,7-10,14H2,1-3H3",C12H25N3,,,,,,DSOBUSVNEHKUKB-UHFFFAOYSA-N,,,,,,,,,,,
100.065.719,272-312-7,68797-71-7,"6-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-2-naphthol","6-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-ol",CC(C)(C)c1ccc2CC(O)CCc2c1,CC(C)(C)c1ccc2CC(O)CCc2c1,"InChI=1/C14H20O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h4,6,8,13,15H,5,7,9H2,1-3H3",C14H20O,,,,,,LLLRKSFANNQEDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.721,272-314-8,68797-73-9,"[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]acetaldehyde","(2,6-di-tert-butyl-4-methylphenoxy)acetaldehyde",Cc1cc(c(OCC=O)c(c1)C(C)(C)C)C(C)(C)C,Cc1cc(c(OCC=O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C17H26O2/c1-12-10-13(16(2,3)4)15(19-9-8-18)14(11-12)17(5,6)7/h8,10-11H,9H2,1-7H3",C17H26O2,,,,,,QPHOIPTWOLYQDA-UHFFFAOYSA-N,,,,,,,,,,,
100.065.724,272-317-4,68803-99-6,"3-(3,7,7-trimethylbicyclo[4.1.0]hept-2-yl)acrylonitrile","3-(3,7,7-trimethylbicyclo[4.1.0]hept-2-yl)acrylonitrile",CC1CCC2C(C1\\C=C\\C#N)C2(C)C,CC1CCC2C(C1\C=C\C#N)C2(C)C,"InChI=1/C13H19N/c1-9-6-7-11-12(13(11,2)3)10(9)5-4-8-14/h4-5,9-12H,6-7H2,1-3H3",C13H19N,,,,,,ZCLNOHYVAWUWHR-SNAWJCMRSA-N,,,,,,,,,,,
100.065.725,272-319-5,68804-00-2,"3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)acrylonitrile","3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)acrylonitrile",CC1CC2C(CC1\\C=C\\C#N)C2(C)C,CC1CC2C(CC1\C=C\C#N)C2(C)C,"InChI=1/C13H19N/c1-9-7-11-12(13(11,2)3)8-10(9)5-4-6-14/h4-5,9-12H,7-8H2,1-3H3",C13H19N,,,,,,RCAHNKBVXSNLBI-SNAWJCMRSA-N,,,,,,,,,,,
100.065.729,272-323-7,68804-33-1,"3,7,7-trimethylbicyclo[4.1.0]heptane-2-carbaldehyde","3,7,7-trimethylbicyclo[4.1.0]heptane-2-carbaldehyde",CC1CCC2C(C1C=O)C2(C)C,CC1CCC2C(C1C=O)C2(C)C,"InChI=1/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h6-10H,4-5H2,1-3H3",C11H18O,,,,,,WUFJEAHVTVBYPF-UHFFFAOYSA-N,,,,,,,,,,,
100.065.731,272-325-8,68806-24-6,"Trisodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate","trisodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c3cc(ccc34)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c3cc(ccc34)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C27H22ClN9O9S3.3Na/c1-13-10-22(36-37-23-12-16(48(41,42)43)4-8-24(23)49(44,45)46)14(2)9-21(13)35-34-20-7-6-19(30-27-32-25(28)31-26(29)33-27)17-5-3-15(11-18(17)20)47(38,39)40;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33);;;/q;3*+1/p-3",C27H22ClN9O9S3.3Na,,,,,,XFRZWXOONUINSL-UHFFFAOYSA-K,,,,,,,,,,,
100.065.738,272-333-1,68813-94-5,"Sulfuric acid, zinc salt, basic",zinc sulfate,[Zn+2].[O-]S(=O)(=O)[O-],[Zn+2].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",-,,,,,,NWONKYPBYAMBJT-UHFFFAOYSA-L,,,,,,,,,,,
100.067.255,274-003-2,69432-53-7,"2-[1,1'-biphenyl]-4-yl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-acetamide","2-[2-biphenyl-4-yl-4,6-bis(trichloromethyl)-1,2-dihydro-1,3,5-triazin-2-yl]acetamide",NC(=O)CC1(NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)c2ccc(cc2)c3ccccc3,NC(=O)CC1(NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)c2ccc(cc2)c3ccccc3,"InChI=1/C19H14Cl6N4O/c20-18(21,22)15-27-16(19(23,24)25)29-17(28-15,10-14(26)30)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,26,30)(H,27,28,29)",C17H9Cl6N3,,,,,,OXCZDXQUUAGXKD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.405,276-368-3,72139-12-9,"Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-sulphonato-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]amino]anthracene-2-sulphonate","disodium 1-amino-9,10-dioxo-4-({3-sulfonato-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}amino)-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Cl)c5Cl)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Cl)c5Cl)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C24H14Cl3N5O8S2.2Na/c25-18-22(26)31-24(27)32-23(18)30-12-6-5-9(7-14(12)41(35,36)37)29-13-8-15(42(38,39)40)19(28)17-16(13)20(33)10-3-1-2-4-11(10)21(17)34;;/h1-8,29H,28H2,(H,30,31,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C24H14Cl3N5O8S2.2Na,,,,,,FYMOBWPMQLSRNE-UHFFFAOYSA-L,,,,,,,,,,,
100.069.406,276-369-9,72139-13-0,"Tetrasodium 5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(2,5-disulphonatophenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate","tetrasodium 5-({3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl}amino)-3-[(2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc5c(Nc1cc(ccc1)C(=O)Nc4cc(cc3cc(c(N=Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(F)nc5F,[Na+].[Na+].[Na+].[Na+].Clc5c(Nc1cc(ccc1)C(=O)Nc4cc(cc3cc(c(N=Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(F)nc5F,"InChI=1/C27H17ClF2N6O14S4.4Na/c28-21-24(29)33-27(30)34-25(21)31-13-3-1-2-11(6-13)26(38)32-17-10-15(52(42,43)44)7-12-8-19(54(48,49)50)22(23(37)20(12)17)36-35-16-9-14(51(39,40)41)4-5-18(16)53(45,46)47;;;;/h1-10,37H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",C27H17ClF2N6O14S4.4Na,,,,,,XKEOGYCKCCFQLK-UHFFFAOYSA-J,,,,,,,,,,,
100.069.410,276-374-6,72139-17-4,"Disodium 1-amino-4-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-({3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methyl-5-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc(cc1Nc5nc(F)nc(F)c5Cl)S(=O)(=O)[O-],[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc(cc1Nc5nc(F)nc(F)c5Cl)S(=O)(=O)[O-],"InChI=1/C25H16ClF2N5O8S2.2Na/c1-9-13(6-10(42(36,37)38)7-14(9)31-24-19(26)23(27)32-25(28)33-24)30-15-8-16(43(39,40)41)20(29)18-17(15)21(34)11-4-2-3-5-12(11)22(18)35;;/h2-8,30H,29H2,1H3,(H,31,32,33)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C25H16ClF2N5O8S2.2Na,,,,,,ZNJIJUTZYLARBY-UHFFFAOYSA-L,,,,,,,,,,,
100.069.418,276-383-5,72144-41-3,p-(dimethylvinylsilyl)benzylamine,1-{4-[dimethyl(vinyl)silyl]phenyl}methanamine,C[Si](C)(C=C)c1ccc(CN)cc1,C[Si](C)(C=C)c1ccc(CN)cc1,"InChI=1/C11H17NSi/c1-4-13(2,3)11-7-5-10(9-12)6-8-11/h4-8H,1,9,12H2,2-3H3",C11H17NSi,,,,,,ZHLFFTNRFIWPCC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.432,276-398-7,72152-44-4,5-methoxy-4-methyl-2-[[2-(methylsulphonyl)-4-nitrophenyl]azo]benzenediazonium hydrogen sulphate,5-methoxy-4-methyl-2-{[2-(methylsulfonyl)-4-nitrophenyl]diazenyl}benzenediazonium hydrogen sulfate,[H+].Cc2cc(N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)c(cc2OC)[N+]#N.[O-]S([O-])(=O)=O,[H+].Cc2cc(N=Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)c(cc2OC)[N+]#N.[O-]S([O-])(=O)=O,"InChI=1/C15H14N5O5S.H2O4S.H2/c1-9-6-13(12(17-16)8-14(9)25-2)19-18-11-5-4-10(20(21)22)7-15(11)26(3,23)24;1-5(2,3)4;/h4-8H,1-3H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C15H14N5O5S.HO4S,,,,,,JGDHHRQPMONWPG-UHFFFAOYSA-M,,,,,,,,,,,
100.063.944,270-359-8,68425-59-2,(sec-butyl)nitrobenzene,1-sec-butyl-2-nitrobenzene,CCC(C)c1ccccc1[N+](=O)[O-],CCC(C)c1ccccc1[N+](=O)[O-],"InChI=1/C10H13NO2/c1-3-8(2)9-6-4-5-7-10(9)11(12)13/h4-8H,3H2,1-2H3",C10H13NO2,,,,,,GMQQDASXGTUDPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.063.952,270-368-7,68425-72-9,"Phosphoric acid, 2-ethylhexyl ester, compd. with 2-aminoethanol",2-ethylhexyl dihydrogen phosphate - 2-aminoethanol (1:1),CCCCC(CC)COP(=O)(O)O.NCCO,CCCCC(CC)COP(=O)(O)O.NCCO,"InChI=1/C8H19O4P.C2H7NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H2,9,10,11);4H,1-3H2",-,,,,,,TZFAFCBACSPDPK-UHFFFAOYSA-N,,,,,,,,,,,
100.063.959,270-376-0,68425-97-8,"1-decyl 6-octyl 2,4,4-trimethyladipate","1-decyl 6-octyl 2,4,4-trimethylhexanedioate",CCCCCCCCCCOC(=O)C(C)CC(C)(C)CC(=O)OCCCCCCCC,CCCCCCCCCCOC(=O)C(C)CC(C)(C)CC(=O)OCCCCCCCC,"InChI=1/C27H52O4/c1-6-8-10-12-14-15-17-19-21-31-26(29)24(3)22-27(4,5)23-25(28)30-20-18-16-13-11-9-7-2/h24H,6-23H2,1-5H3",C27H52O4,,,,,,UJWASZQDZMOHER-UHFFFAOYSA-N,,,,,,,,,,,
100.063.965,270-382-3,68426-03-9,"3-[(6-amino-2,4,4-trimethylhexyl)amino]propiononitrile","3-[(6-amino-2,4,4-trimethylhexyl)amino]propanenitrile",CC(CNCCC#N)CC(C)(C)CCN,CC(CNCCC#N)CC(C)(C)CCN,"InChI=1/C12H25N3/c1-11(10-15-8-4-6-13)9-12(2,3)5-7-14/h11,15H,4-5,7-10,14H2,1-3H3",C12H25N3,,,,,,KMSHUCQEMCGTFX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.843,286-758-5,85391-05-5,Isopropyl L-methionate hydrochloride,isopropyl L-methioninate hydrochloride,Cl.CSCC[C@H](N)C(=O)OC(C)C,Cl.CSCC[C@H](N)C(=O)OC(C)C,"InChI=1/C8H17NO2S.ClH/c1-6(2)11-8(10)7(9)4-5-12-3;/h6-7H,4-5,9H2,1-3H3;1H",C8H17NO2S.ClH,,,,,,ONXXRAMAPIOLSS-FJXQXJEOSA-N,,,,,,,,,,,
100.078.852,286-767-4,85391-15-7,Sodium (R)-3-phenyllactate,sodium 2-hydroxy-3-phenylpropanoate,[Na+].O[C@H](Cc1ccccc1)C(=O)[O-],[Na+].O[C@H](Cc1ccccc1)C(=O)[O-],"InChI=1/C9H10O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2,(H,11,12);/q;+1/p-1",C9H10O3.Na,,,,,,DVSAFLNBVQKEKE-DDWIOCJRSA-M,,,,,,,,,,,
100.078.863,286-780-5,85391-26-0,"1-octylimidazolidine-2,4-dione","1-octylimidazolidine-2,4-dione",CCCCCCCCN1CC(=O)NC1=O,CCCCCCCCN1CC(=O)NC1=O,"InChI=1/C11H20N2O2/c1-2-3-4-5-6-7-8-13-9-10(14)12-11(13)15/h2-9H2,1H3,(H,12,14,15)",C11H20N2O2,,,,,,RAIXQSNYRUTLRE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.869,286-786-8,85391-32-8,"2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate","2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate",CC1C(CC2CC1C2(C)C)OC(=O)C,CC1C(CC2CC1C2(C)C)OC(=O)C,"InChI=1/C12H20O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3",C12H20O2,,,,,,KKZUXVTWZQWUSI-UHFFFAOYSA-N,,,,,,,,,,,
100.078.877,286-795-7,85391-41-9,Disodium 7-amino-4-hydroxy-3-[[3-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-amino-4-hydroxy-3-({3-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O,"InChI=1/C23H19N5O7S2.2Na/c1-13-10-17(5-9-20(13)27-25-16-3-6-18(7-4-16)36(30,31)32)26-28-22-21(37(33,34)35)12-14-11-15(24)2-8-19(14)23(22)29;;/h2-12,29H,24H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H19N5O7S2.2Na,,,,,,WDRZJESZAYBJMR-UHFFFAOYSA-L,,,,,,,,,,,
100.078.881,286-799-9,85391-45-3,5-ethyl-5-methylheptan-1-ol,5-ethyl-5-methylheptan-1-ol,CCC(C)(CC)CCCCO,CCC(C)(CC)CCCCO,"InChI=1/C10H22O/c1-4-10(3,5-2)8-6-7-9-11/h11H,4-9H2,1-3H3",C10H22O,,,,,,TYFNQJAGNXQNCT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.827,298-857-0,93839-84-0,4-amino-N-[(1-benzyl-2-pyrrolidinyl)methyl]-5-(ethylsulphonyl)-2-methoxybenzamide,4-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide,CCS(=O)(=O)c1cc(C(=O)NCC2CCCN2Cc3ccccc3)c(OC)cc1N,CCS(=O)(=O)c1cc(C(=O)NCC2CCCN2Cc3ccccc3)c(OC)cc1N,"InChI=1/C22H29N3O4S/c1-3-30(27,28)21-12-18(20(29-2)13-19(21)23)22(26)24-14-17-10-7-11-25(17)15-16-8-5-4-6-9-16/h4-6,8-9,12-13,17H,3,7,10-11,14-15,23H2,1-2H3,(H,24,26)",C22H29N3O4S,,,,,,MCHCXHUXQSAMCF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.833,298-863-3,93839-90-8,"L-(-)-threo-2-amino-1-(p-methylsulphonylphenyl)propane-1,3-diol hydrochloride","2-amino-1-[4-(methylsulfonyl)phenyl]propane-1,3-diol hydrochloride",Cl.CS(=O)(=O)c1ccc(cc1)C(O)C(N)CO,Cl.CS(=O)(=O)c1ccc(cc1)C(O)C(N)CO,"InChI=1/C10H15NO4S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12;/h2-5,9-10,12-13H,6,11H2,1H3;1H",C10H15NO4S.ClH,,,,,,LDWKRIYCDUIKKD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.840,298-871-7,93839-97-5,"Iron 3-nitronaphthalene-1,5-disulphonate","iron(2+) 3-nitronaphthalene-1,5-disulfonate",[Fe+2].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Fe+2].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H7NO8S2.Fe/c12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16;/h1-5H,(H,14,15,16)(H,17,18,19);/q;+2/p-2",C10H7NO8S2.xFe,,,,,,HKMHVNJPHJFIJA-UHFFFAOYSA-L,,,,,,,,,,,
100.089.843,298-874-3,93840-00-7,Germanium(4+) 2-methoxyethanolate,germanium(4+) tetrakis(2-methoxyethanolate),[Ge+4].COCC[O-].COCC[O-].COCC[O-].COCC[O-],[Ge+4].COCC[O-].COCC[O-].COCC[O-].COCC[O-],"InChI=1/4C3H7O2.Ge/c4*1-5-3-2-4;/h4*2-3H2,1H3;/q4*-1;+4",C3H8O2.1/4Ge,,,,,,AOHLHFNEWBXOBO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.867,298-901-9,93840-38-1,2-cyclohexyl-6-isobutyl-p-cresol,2-cyclohexyl-6-isobutyl-4-methylphenol,CC(C)Cc1cc(C)cc(C2CCCCC2)c1O,CC(C)Cc1cc(C)cc(C2CCCCC2)c1O,"InChI=1/C17H26O/c1-12(2)9-15-10-13(3)11-16(17(15)18)14-7-5-4-6-8-14/h10-12,14,18H,4-9H2,1-3H3",C17H26O,,,,,,RJDIASVKQBMHBO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.739,300-958-2,93965-10-7,"2-(2,4-dichlorophenoxy)propan-2-ol","2-(2,4-dichlorophenoxy)propan-2-ol",CC(C)(O)Oc1ccc(Cl)cc1Cl,CC(C)(O)Oc1ccc(Cl)cc1Cl,"InChI=1/C9H10Cl2O2/c1-9(2,12)13-8-4-3-6(10)5-7(8)11/h3-5,12H,1-2H3",C9H10Cl2O2,,,,,,FWMAWTRDKYQUNE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.741,300-960-3,93965-12-9,Dibekacin bis(sulphate),"4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside disulfate (salt)",NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.OS(=O)(=O)O.OS(=O)(=O)O,NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1/C18H37N5O8.2H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;2*1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;2*(H2,1,2,3,4)",C18H37N5O8.2H2O4S,,,,,,YCYKGZPMQKHUBU-UHBFEBJOSA-N,,,,,,,,,,,
100.091.744,300-964-5,93965-15-2,6-hydroxyhexyl formate,6-hydroxyhexyl formate,OCCCCCCOC=O,OCCCCCCOC=O,"InChI=1/C7H14O3/c8-5-3-1-2-4-6-10-7-9/h7-8H,1-6H2",C7H14O3,,,,,,ZDLOJUDFCVYMAE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.747,300-967-1,93965-18-5,"2,2-bis[[(1-oxoallyl)oxy]methyl]butyl aziridine-1-propionate",2-[(acryloyloxy)methyl]-2-{[(3-aziridin-1-ylpropanoyl)oxy]methyl}butyl acrylate (non-preferred name),CCC(COC(=O)CCN1CC1)(COC(=O)C=C)COC(=O)C=C,CCC(COC(=O)CCN1CC1)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C17H25NO6/c1-4-14(19)22-11-17(6-3,12-23-15(20)5-2)13-24-16(21)7-8-18-9-10-18/h4-5H,1-2,6-13H2,3H3",C17H25NO6,,,,,,DKODUJNNJQIUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.748,300-968-7,93965-19-6,(2-mercaptoethyl)ammonium hydrogen maleate,2-sulfanylethanaminium hydrogen but-2-enedioate,[NH3+]CCS.[O-]C(=O)\\C=C/C(=O)[O-],[NH3+]CCS.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C4H4O4.C2H7NS/c5-3(6)1-2-4(7)8;3-1-2-4/h1-2H,(H,5,6)(H,7,8);4H,1-3H2/p-1",C4H4O4.C2H7NS,,,,,,CFKWMOSBWWKRJM-ODZAUARKSA-M,,,,,,,,,,,
100.092.382,301-666-8,94023-68-4,5-(2-bromo-1-oxopropoxy)pentyl acrylate,5-[(2-bromopropanoyl)oxy]pentyl acrylate,CC(Br)C(=O)OCCCCCOC(=O)C=C,CC(Br)C(=O)OCCCCCOC(=O)C=C,"InChI=1/C11H17BrO4/c1-3-10(13)15-7-5-4-6-8-16-11(14)9(2)12/h3,9H,1,4-8H2,2H3",C11H17BrO4,,,,,,ILSWEUDQMRFOAY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.386,301-671-5,94023-72-0,4-[2-(4-carboxyphenoxy)ethoxy]-3-chlorobenzoic acid,4-[2-(4-carboxyphenoxy)ethoxy]-3-chlorobenzoic acid,OC(=O)c1ccc(OCCOc2ccc(cc2Cl)C(=O)O)cc1,OC(=O)c1ccc(OCCOc2ccc(cc2Cl)C(=O)O)cc1,"InChI=1/C16H13ClO6/c17-13-9-11(16(20)21)3-6-14(13)23-8-7-22-12-4-1-10(2-5-12)15(18)19/h1-6,9H,7-8H2,(H,18,19)(H,20,21)",C16H13ClO6,,,,,,ZOTIAGGMDTXJIW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.387,301-672-0,94023-73-1,"4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichlorobenzoic acid","4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichlorobenzoic acid",OC(=O)c1ccc(OCCOc2c(Cl)cc(cc2Cl)C(=O)O)c(Cl)c1,OC(=O)c1ccc(OCCOc2c(Cl)cc(cc2Cl)C(=O)O)c(Cl)c1,"InChI=1/C16H11Cl3O6/c17-10-5-8(15(20)21)1-2-13(10)24-3-4-25-14-11(18)6-9(16(22)23)7-12(14)19/h1-2,5-7H,3-4H2,(H,20,21)(H,22,23)",C16H11Cl3O6,,,,,,AUXZGERXVFLLTE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.891,286-810-7,85391-55-5,Barium bis[2-[(2-hydroxy-1-naphthyl)azo]-5-methoxybenzenesulphonate],barium bis{2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methoxybenzenesulfonate},[Ba+2].[O-]S(=O)(=O)c3cc(OC)ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3cc(OC)ccc3N=Nc1c2ccccc2ccc1O,[Ba+2].[O-]S(=O)(=O)c3cc(OC)ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3cc(OC)ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C17H14N2O5S.Ba/c2*1-24-12-7-8-14(16(10-12)25(21,22)23)18-19-17-13-5-3-2-4-11(13)6-9-15(17)20;/h2*2-10,20H,1H3,(H,21,22,23);/q;;+2/p-2",C17H14N2O5S.1/2Ba,,,,,,WOKBFZQJLJEXBU-UHFFFAOYSA-L,,,,,,,,,,,
100.078.898,286-818-0,85391-62-4,3-[(2-aminophenyl)methyl]-p-toluidine,3-(2-aminobenzyl)-4-methylaniline,Cc1ccc(N)cc1Cc2ccccc2N,Cc1ccc(N)cc1Cc2ccccc2N,"InChI=1/C14H16N2/c1-10-6-7-13(15)9-12(10)8-11-4-2-3-5-14(11)16/h2-7,9H,8,15-16H2,1H3",C14H16N2,,,,,,ZSHDZKRJSYRBBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.916,286-837-4,85391-82-8,Methyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate,methyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate,COC(=O)N1CCC(CC1)Nc2ccc(Cl)cc2N,COC(=O)N1CCC(CC1)Nc2ccc(Cl)cc2N,"InChI=1/C13H18ClN3O2/c1-19-13(18)17-6-4-10(5-7-17)16-12-3-2-9(14)8-11(12)15/h2-3,8,10,16H,4-7,15H2,1H3",C13H18ClN3O2,,,,,,CNBDZKABFKMZQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.919,286-841-6,85391-85-1,Butyl 2-ethylperoxyhexanoate,butyl 2-(ethylperoxy)hexanoate,CCCCOC(=O)C(CCCC)OOCC,CCCCOC(=O)C(CCCC)OOCC,"InChI=1/C12H24O4/c1-4-7-9-11(16-15-6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3",C12H24O3,,,,,,VISLHMUTPUAARK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.921,286-843-7,85391-87-3,"Ethyl a-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate","ethyl 2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)propanoate",CCOC(=O)C(CC1CCC2CC1C2(C)C)C#N,CCOC(=O)C(CC1CCC2CC1C2(C)C)C#N,"InChI=1/C15H23NO2/c1-4-18-14(17)11(9-16)7-10-5-6-12-8-13(10)15(12,2)3/h10-13H,4-8H2,1-3H3",C15H23NO2,,,,,,ZODZFEQFLYGDIG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.922,286-844-2,85391-88-4,"3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acrylic acid","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)acrylic acid",CC1(C)C2CCC(C2)C1\\C=C\\C(=O)O,CC1(C)C2CCC(C2)C1\C=C\C(=O)O,"InChI=1/C12H18O2/c1-12(2)9-4-3-8(7-9)10(12)5-6-11(13)14/h5-6,8-10H,3-4,7H2,1-2H3,(H,13,14)",C12H18O2,,,,,,XSLQITRSSLYXKT-AATRIKPKSA-N,,,,,,,,,,,
100.091.505,300-701-4,93962-64-2,(E)-3-[6-[1-hydroxy-3-pyrrolidinyl-1-(p-tolyl)propyl]-2-pyridyl]acrylic acid,3-{6-[1-hydroxy-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropyl]pyridin-2-yl}acrylic acid,Cc1ccc(cc1)C(O)(CCN2CCCC2)c3cccc(\\C=C\\C(=O)O)n3,Cc1ccc(cc1)C(O)(CCN2CCCC2)c3cccc(\C=C\C(=O)O)n3,"InChI=1/C22H26N2O3/c1-17-7-9-18(10-8-17)22(27,13-16-24-14-2-3-15-24)20-6-4-5-19(23-20)11-12-21(25)26/h4-12,27H,2-3,13-16H2,1H3,(H,25,26)",C22H26N2O3,,,,,,KBOVTNPKTWUFRD-VAWYXSNFSA-N,,,,,,,,,,,
100.091.511,300-708-2,93962-70-0,2-[(2-hydroxyethyl)(3-methoxypropyl)amino]ethyl methacrylate,2-[(2-hydroxyethyl)(3-methoxypropyl)amino]ethyl methacrylate,COCCCN(CCO)CCOC(=O)C(=C)C,COCCCN(CCO)CCOC(=O)C(=C)C,"InChI=1/C12H23NO4/c1-11(2)12(15)17-10-7-13(6-8-14)5-4-9-16-3/h14H,1,4-10H2,2-3H3",C12H23NO4,,,,,,ILJKDPMCBJOTEF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.015,285-847-6,85153-64-6,"Ethyl 2,2-bis(isopropyl)acetoacetate",ethyl 2-acetyl-2-isopropyl-3-methylbutanoate,CCOC(=O)C(C(C)C)(C(C)C)C(=O)C,CCOC(=O)C(C(C)C)(C(C)C)C(=O)C,"InChI=1/C12H22O3/c1-7-15-11(14)12(8(2)3,9(4)5)10(6)13/h8-9H,7H2,1-6H3",C12H22O3,,,,,,WEBTZZNWWGBCRG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.018,285-850-2,85153-67-9,"Ethyl 2,2,4-trichloro-3-oxobutyrate","ethyl 2,2,4-trichloro-3-oxobutanoate",CCOC(=O)C(Cl)(Cl)C(=O)CCl,CCOC(=O)C(Cl)(Cl)C(=O)CCl,"InChI=1/C6H7Cl3O3/c1-2-12-5(11)6(8,9)4(10)3-7/h2-3H2,1H3",C6H7Cl3O3,,,,,,HWNQMVWBWPURQG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.020,285-852-3,85153-69-1,"Phosphoric acid, methyl ester, compd. with guanidine",methyl dihydrogen phosphate - guanidine (1:1),COP(=O)(O)O.NC(=N)N,COP(=O)(O)O.NC(=N)N,"InChI=1/CH5N3.CH5O4P/c2-1(3)4;1-5-6(2,3)4/h(H5,2,3,4);1H3,(H2,2,3,4)",-,,,,,,CPTWLHKNXUGGTC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.021,285-853-9,85153-70-4,"Methyl dihydrogen phosphate, compound with guanidine (1:2)",methyl dihydrogen phosphate - guanidine (1:2),COP(=O)(O)O.NC(=N)N.NC(=N)N,COP(=O)(O)O.NC(=N)N.NC(=N)N,"InChI=1/2CH5N3.CH5O4P/c2*2-1(3)4;1-5-6(2,3)4/h2*(H5,2,3,4);1H3,(H2,2,3,4)",CH5N3.1/2CH5O4P,,,,,,XSMZYGOJSXGNLE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.023,285-856-5,85153-72-6,Sodium (Z)-2-[2-(octadec-9-enyloxy)ethoxy]ethyl sulphate,sodium 2-[2-(octadec-9-en-1-yloxy)ethoxy]ethyl sulfate,[Na+].CCCCCCCC\\C=C/CCCCCCCCOCCOCCOS(=O)(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCCOCCOCCOS(=O)(=O)[O-],"InChI=1/C22H44O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-27-21-22-28-29(23,24)25;/h9-10H,2-8,11-22H2,1H3,(H,23,24,25);/q;+1/p-1",C22H44O6S.Na,,,,,,BMOOYYHLFXDSNF-KVVVOXFISA-M,,,,,,,,,,,
100.078.024,285-857-0,85153-73-7,Disodium 10-hydroxy-18-[2-[2-(sulphonatooxy)ethoxy]ethoxy]octadecane-9-sulphonate,disodium 10-hydroxy-18-{2-[2-(sulfonatooxy)ethoxy]ethoxy}octadecane-9-sulfonate,[Na+].[Na+].CCCCCCCCC(C(O)CCCCCCCCOCCOCCOS(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCC(C(O)CCCCCCCCOCCOCCOS(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C22H46O10S2.2Na/c1-2-3-4-5-9-12-15-22(33(24,25)26)21(23)14-11-8-6-7-10-13-16-30-17-18-31-19-20-32-34(27,28)29;;/h21-23H,2-20H2,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C22H46O10S2.2Na,,,,,,ACAYMVIABBCVER-UHFFFAOYSA-L,,,,,,,,,,,
100.078.027,285-860-7,85153-76-0,o-carboxyphenyl 5-oxo-DL-prolinate,2-[(5-oxo-L-prolyl)oxy]benzoic acid,OC(=O)c1ccccc1OC(=O)[C@@H]2CCC(=O)N2,OC(=O)c1ccccc1OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C12H11NO5/c14-10-6-5-8(13-10)12(17)18-9-4-2-1-3-7(9)11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)",C12H11NO5,,,,,,QIVGHCRIRZKFKJ-QMMMGPOBSA-N,,,,,,,,,,,
100.078.028,285-861-2,85153-77-1,o-carboxyphenyl 5-oxo-L-prolinate,2-[(5-oxo-L-prolyl)oxy]benzoic acid,OC(=O)c1ccccc1OC(=O)[C@@H]2CCC(=O)N2,OC(=O)c1ccccc1OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C12H11NO5/c14-10-6-5-8(13-10)12(17)18-9-4-2-1-3-7(9)11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)",C12H11NO5,,,,,,QIVGHCRIRZKFKJ-QMMMGPOBSA-N,,,,,,,,,,,
100.078.029,285-862-8,85153-78-2,"5-oxo-DL-proline, compound with piperazine (1:1)",5-oxo-L-proline - piperazine (1:1),OC(=O)[C@@H]1CCC(=O)N1.C2CNCCN2,OC(=O)[C@@H]1CCC(=O)N1.C2CNCCN2,"InChI=1/C5H7NO3.C4H10N2/c7-4-2-1-3(6-4)5(8)9;1-2-6-4-3-5-1/h3H,1-2H2,(H,6,7)(H,8,9);5-6H,1-4H2",C5H7NO3.C4H10N2,,,,,,UGJLDBAVVGLTBT-DFWYDOINSA-N,,,,,,,,,,,
100.078.032,285-865-4,85153-81-7,"5-oxo-L-proline, compound with 3-phenyl-DL-alanine (1:1)",5-oxo-L-proline - phenylalanine (1:1),N[C@@H](Cc1ccccc1)C(=O)O.OC(=O)[C@@H]2CCC(=O)N2,N[C@@H](Cc1ccccc1)C(=O)O.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C9H11NO2.C5H7NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3(6-4)5(8)9/h1-5,8H,6,10H2,(H,11,12);3H,1-2H2,(H,6,7)(H,8,9)",C9H11NO2.C5H7NO3,,,,,,CQXVXFVRRRCZJW-YYTBSQRUSA-N,,,,,,,,,,,
100.078.041,285-875-9,85153-90-8,"6,7,8,14-tetradehydro-3-methoxy-17-methylmorphinan-4-ol","3-methoxy-17-methyl-6,7,8,14-tetradehydromorphinan-4-ol",COc1ccc2C[C@H]3N(C)CC[C@@]4(CC=CC=C34)c2c1O,COc1ccc2C[C@H]3N(C)CC[C@@]4(CC=CC=C34)c2c1O,"InChI=1/C18H21NO2/c1-19-10-9-18-8-4-3-5-13(18)14(19)11-12-6-7-15(21-2)17(20)16(12)18/h3-7,14,20H,8-11H2,1-2H3",C18H21NO2,,,,,,ONYKSPDQQPOMEU-RDTXWAMCSA-N,,,,,,,,,,,
100.093.134,302-495-1,94109-53-2,Dioctadecyl malate,dioctadecyl malate,CCCCCCCCCCCCCCCCCCOC(=O)CC(O)C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CC(O)C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-39(42)37-38(41)40(43)45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3",C40H78O5,,,,,,PNSDHQDPDMOPCP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.140,302-501-2,94109-60-1,"Bis[benzyl[2-(3,5-dihydroxyphenyl)-2-oxoethyl]isopropylammonium] sulphate","bis{N-benzyl-N-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]propan-2-aminium} sulfate",CC(C)[NH+](CC(=O)c1cc(O)cc(O)c1)Cc2ccccc2.CC(C)[NH+](CC(=O)c3cc(O)cc(O)c3)Cc4ccccc4.[O-]S(=O)(=O)[O-],CC(C)[NH+](CC(=O)c1cc(O)cc(O)c1)Cc2ccccc2.CC(C)[NH+](CC(=O)c3cc(O)cc(O)c3)Cc4ccccc4.[O-]S(=O)(=O)[O-],"InChI=1/2C18H21NO3.H2O4S/c2*1-13(2)19(11-14-6-4-3-5-7-14)12-18(22)15-8-16(20)10-17(21)9-15;1-5(2,3)4/h2*3-10,13,20-21H,11-12H2,1-2H3;(H2,1,2,3,4)",C18H21NO3.1/2H2O4S,,,,,,JBVHZLPYBQHUQH-UHFFFAOYSA-N,,,,,,,,,,,
100.063.969,270-387-0,68426-07-3,4-methyl-1-phenylpentan-3-ol,4-methyl-1-phenylpentan-3-ol,CC(C)C(O)CCc1ccccc1,CC(C)C(O)CCc1ccccc1,"InChI=1/C12H18O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3",C12H18O,,,,,,XMYCBALIUJOUKD-UHFFFAOYSA-N,,,,,,,,,,,
100.063.972,270-390-7,68427-32-7,"Decyl dihydrogen phosphate, potassium salt",-,[K+].CCCCCCCCCCOP(=O)(O)O,[K+].CCCCCCCCCCOP(=O)(O)O,"InChI=1/C10H23O4P.K/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H2,11,12,13);/q;+1",C10H23O4P.xK,,,,,,DSQQMDYFAZUMFS-UHFFFAOYSA-N,,,,,,,,,,,
100.063.973,270-391-2,68427-33-8,"Potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate(1:2)","potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate(1:2)",[KH].[O-]S(=O)(=O)c1ccc2C(=O)OC(=O)c3cccc1c23.[O-]S(=O)(=O)c4ccc5C(=O)OC(=O)c6cccc4c56,[KH].[O-]S(=O)(=O)c1ccc2C(=O)OC(=O)c3cccc1c23.[O-]S(=O)(=O)c4ccc5C(=O)OC(=O)c6cccc4c56,"InChI=1/2C12H6O6S.K.H/c2*13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;;/h2*1-5H,(H,15,16,17);;/q;;+1;/p-2/r2C12H6O6S.HK/c2*13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;/h2*1-5H,(H,15,16,17);1H/q;;+1/p-2",C12H6O6S.1/2K,,,,,,WISMPEPAQJAGRY-UHFFFAOYSA-L,,,,,,,,,,,
100.063.975,270-393-3,68427-35-0,2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazole-5-sulphonamide,"2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-benzoxazole-5-sulfonamide",CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(cc4n3)S(=O)(=O)N,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3oc4ccc(cc4n3)S(=O)(=O)N,"InChI=1/C20H19N3O5S/c1-3-23(4-2)13-6-5-12-9-15(20(24)28-18(12)10-13)19-22-16-11-14(29(21,25)26)7-8-17(16)27-19/h5-11H,3-4H2,1-2H3,(H2,21,25,26)",C20H19N3O5S,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16911,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.975,SDUIURJVOCHJCO-UHFFFAOYSA-N,,,,,,,,,,,
100.066.786,273-486-7,68982-90-1,N-(3-carboxypropionyl)glycylglycyl-N-(p-nitrophenyl)-3-phenyl-L-alaninamide,N-(3-carboxypropanoyl)glycylglycyl-N-(4-nitrophenyl)-L-phenylalaninamide,O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CCC(O)=O,O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CCC(O)=O,"InChI=1/C23H25N5O8/c29-19(10-11-22(32)33)24-13-20(30)25-14-21(31)27-18(12-15-4-2-1-3-5-15)23(34)26-16-6-8-17(9-7-16)28(35)36/h1-9,18H,10-14H2,(H,24,29)(H,25,30)(H,26,34)(H,27,31)(H,32,33)",C23H25N5O8,,,,,,CFYIUBWVKZQDOG-SFHVURJKSA-N,,,,,,,,,,,
100.090.753,299-875-1,93917-94-3,"Sodium 3-[(5,8-dichloro-1-hydroxy-2-naphthyl)azo]-2-hydroxy-5-nitrobenzenesulphonate","sodium 3-[(5,8-dichloro-1-hydroxy-2-naphthyl)diazenyl]-2-hydroxy-5-nitrobenzenesulfonate",[Na+].[O-][N+](=O)c3cc(N=Nc1ccc2c(Cl)ccc(Cl)c2c1O)c(O)c(c3)S([O-])(=O)=O,[Na+].[O-][N+](=O)c3cc(N=Nc1ccc2c(Cl)ccc(Cl)c2c1O)c(O)c(c3)S([O-])(=O)=O,"InChI=1/C16H9Cl2N3O7S.Na/c17-9-2-3-10(18)14-8(9)1-4-11(16(14)23)19-20-12-5-7(21(24)25)6-13(15(12)22)29(26,27)28;/h1-6,22-23H,(H,26,27,28);/q;+1/p-1",C16H9Cl2N3O7S.Na,,,,,,RUNOSWUCOGFPTH-UHFFFAOYSA-M,,,,,,,,,,,
100.090.760,299-883-5,93918-02-6,"p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-{4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",[O-][N+](=O)c3cc(C)cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)c3O,[O-][N+](=O)c3cc(C)cc(N=NC2C(\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)c3O,"InChI=1/C17H15N5O7S/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29/h3-8,15,23H,1-2H3,(H,27,28,29)",C17H15N5O7S,,,,,,UIJUXOCLYPFXDN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.345,299-427-5,93882-29-2,"Undecenoic acid, compound with piperazine-1,4-diethanol (1:1)","undec-2-enoic acid - 2,2'-piperazine-1,4-diyldiethanol (1:1)",OCCN1CCN(CC1)CCO.CCCCCCCCC=CC(O)=O,OCCN1CCN(CC1)CCO.CCCCCCCCC=CC(O)=O,"InChI=1/C11H20O2.C8H18N2O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;11-7-5-9-1-2-10(4-3-9)6-8-12/h9-10H,2-8H2,1H3,(H,12,13);11-12H,1-8H2",C11H20O2.C8H18N2O2,,,,,,REPWJAARYCPIJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.351,299-433-8,93882-38-3,4-methyldodecene-1-nitrile,4-methyldodec-2-enenitrile,CC(CCCCCCCC)C=CC#N,CC(CCCCCCCC)C=CC#N,"InChI=1/C13H23N/c1-3-4-5-6-7-8-10-13(2)11-9-12-14/h9,11,13H,3-8,10H2,1-2H3",C13H23N,,,,,,MXRVPBVPWKZJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.355,299-438-5,93882-43-0,Icosyl hexadecenoate,icosyl hexadec-2-enoate,CCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCCCCCC,"InChI=1/C36H70O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h32,34H,3-31,33,35H2,1-2H3",C36H70O2,,,,,,QYYKZDPETREORG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.367,299-451-6,93882-61-2,"Lactic acid, compound with 2-(heptadecenyl)-4,5-dihydro-1H-imidazol-1-ethanol (1:1)","2-hydroxypropanoic acid - 2-(2-heptadec-1-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol (1:1)",OCCN1CC\\N=C1\\C=CCCCCCCCCCCCCCCC.OC(=O)C(C)O,OCCN1CC\N=C1\C=CCCCCCCCCCCCCCCC.OC(=O)C(C)O,"InChI=1/C22H42N2O.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(4)3(5)6/h16-17,25H,2-15,18-21H2,1H3;2,4H,1H3,(H,5,6)",C22H42N2O.C3H6O3,,,,,,BDKCADCVKJFZAC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.369,299-453-7,93882-65-6,(cyclohexylmethyl) hydrogen 2-octadecenylsuccinate,3-[(cyclohexylmethoxy)carbonyl]henicos-5-enoate,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCC1CCCCC1,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCC1CCCCC1,"InChI=1/C29H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(24-28(30)31)29(32)33-25-26-21-18-17-19-22-26/h16,20,26-27H,2-15,17-19,21-25H2,1H3,(H,30,31)/p-1",C29H52O4,,,,,,ISVGYZNMDOGTBA-UHFFFAOYSA-M,,,,,,,,,,,
100.091.523,300-721-3,93962-82-4,"N,N'-[(octahydro-4,7-methano-1H-indenediyl)dimethylene]bis[4-hydroxy-N-methylbutyramide]","N,N'-[octahydro-1H-4,7-methanoindene-1,1-diylbis(methylene)]bis(4-hydroxy-N-methylbutanamide)",CN(CC1(CN(C)C(=O)CCCO)CCC2C3CCC(C3)C12)C(=O)CCCO,CN(CC1(CN(C)C(=O)CCCO)CCC2C3CCC(C3)C12)C(=O)CCCO,"InChI=1/C22H38N2O4/c1-23(19(27)5-3-11-25)14-22(15-24(2)20(28)6-4-12-26)10-9-18-16-7-8-17(13-16)21(18)22/h16-18,21,25-26H,3-15H2,1-2H3",C22H38N2O4,,,,,,VWLIXMKEAPCVTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.532,300-731-8,93962-93-7,2-[2-chloro-6-(isopropyl)-3-methylphenoxy]ethyl(dimethyl)ammonium chloride,"2-(2-chloro-6-isopropyl-3-methylphenoxy)-N,N-dimethylethanaminium chloride",[Cl-].CC(C)c1ccc(C)c(Cl)c1OCC[NH+](C)C,[Cl-].CC(C)c1ccc(C)c(Cl)c1OCC[NH+](C)C,"InChI=1/C14H22ClNO.ClH/c1-10(2)12-7-6-11(3)13(15)14(12)17-9-8-16(4)5;/h6-7,10H,8-9H2,1-5H3;1H",C14H22ClNO.ClH,,,,,,BLCVTWPNYTVCSH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.395,301-680-4,94030-75-8,Ethyl undec-10-ynoate,ethyl undec-10-ynoate,CCOC(=O)CCCCCCCCC#C,CCOC(=O)CCCCCCCCC#C,"InChI=1/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h1H,4-12H2,2H3",C13H22O2,,,,,,RIINEWTVKLQWOS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.397,301-683-0,94030-77-0,N-(3-acetyl-4-hydroxyphenyl)heptan-1-amide,N-(3-acetyl-4-hydroxyphenyl)heptanamide,CCCCCCC(=O)Nc1ccc(O)c(c1)C(=O)C,CCCCCCC(=O)Nc1ccc(O)c(c1)C(=O)C,"InChI=1/C15H21NO3/c1-3-4-5-6-7-15(19)16-12-8-9-14(18)13(10-12)11(2)17/h8-10,18H,3-7H2,1-2H3,(H,16,19)",C15H21NO3,,,,,,YLBAPXILOGJWPD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.402,301-688-8,94030-83-8,"(octahydro-4,7-methano-1H-inden-5-yl)methyl acetoacetate","octahydro-1H-4,7-methanoinden-5-ylmethyl 3-oxobutanoate",CC(=O)CC(=O)OCC1CC2CC1C3CCCC23,CC(=O)CC(=O)OCC1CC2CC1C3CCCC23,"InChI=1/C15H22O3/c1-9(16)5-15(17)18-8-11-6-10-7-14(11)13-4-2-3-12(10)13/h10-14H,2-8H2,1H3",C15H22O3,,,,,,OAGHHOVAANMDCH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.413,301-700-1,94030-95-2,N-[3-[(3-fluorophenyl)methylamino]-2-hydroxypropyl]benzamide,N-{3-[(3-fluorophenyl)(methyl)amino]-2-hydroxypropyl}benzamide,CN(CC(O)CNC(=O)c1ccccc1)c2cccc(F)c2,CN(CC(O)CNC(=O)c1ccccc1)c2cccc(F)c2,"InChI=1/C17H19FN2O2/c1-20(15-9-5-8-14(18)10-15)12-16(21)11-19-17(22)13-6-3-2-4-7-13/h2-10,16,21H,11-12H2,1H3,(H,19,22)",C17H19FN2O2,,,,,,HNSPHBVGTCNGOE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.420,301-708-5,94031-03-5,"N,N-bis(2-hydroxyethyl)dimethyloctanamide","N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide",CCCCCCC(C)(C)C(=O)N(CCO)CCO,CCCCCCC(C)(C)C(=O)N(CCO)CCO,"InChI=1/C14H29NO3/c1-4-5-6-7-8-14(2,3)13(18)15(9-11-16)10-12-17/h16-17H,4-12H2,1-3H3",C14H29NO3,,,,,,LHGRAIBWJITMAA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.423,301-711-1,94031-06-8,"Bis(2,3-epoxypropyl) dibromocyclohexane-1,2-dicarboxylate","bis(oxiran-2-ylmethyl) 1,2-dibromocyclohexane-1,2-dicarboxylate",BrC1(CCCCC1(Br)C(=O)OCC2CO2)C(=O)OCC3CO3,BrC1(CCCCC1(Br)C(=O)OCC2CO2)C(=O)OCC3CO3,"InChI=1/C14H18Br2O6/c15-13(11(17)21-7-9-5-19-9)3-1-2-4-14(13,16)12(18)22-8-10-6-20-10/h9-10H,1-8H2",C14H18Br2O6,,,,,,HHOZHVMHLISZTA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.427,301-715-3,94031-11-5,Tetrahydro[(tetrahydrofuryl)methoxy]-2H-pyran,2-(tetrahydrofuran-2-ylmethoxy)tetrahydro-2H-pyran,C(OC1CCCCO1)C2CCCO2,C(OC1CCCCO1)C2CCCO2,"InChI=1/C10H18O3/c1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h9-10H,1-8H2",C10H18O3,,,,,,XXNUDHUOMVIIFN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.432,301-721-6,94031-16-0,D-glucitol pentalaurate,"1,2,3,4,5-penta-O-dodecanoyl-D-glucitol",CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCC,"InChI=1/C66H124O11/c1-6-11-16-21-26-31-36-41-46-51-60(68)73-57-59(75-62(70)53-48-43-38-33-28-23-18-13-8-3)66(77-64(72)55-50-45-40-35-30-25-20-15-10-5)65(76-63(71)54-49-44-39-34-29-24-19-14-9-4)58(56-67)74-61(69)52-47-42-37-32-27-22-17-12-7-2/h58-59,65-67H,6-57H2,1-5H3",C66H124O11,,,,,,IZKIAWVEBPKWDU-KMFICJIMSA-N,,,,,,,,,,,
100.092.433,301-722-1,94031-17-1,D-glucitol monoacetate monopalmitate,2-O-acetyl-1-O-palmitoyl-D-glucitol,CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H46O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(28)31-18-21(32-19(2)26)24(30)23(29)20(27)17-25/h20-21,23-25,27,29-30H,3-18H2,1-2H3",C24H44O7,,,,,,VPFBVODWACZZOT-CBJLPSGESA-N,,,,,,,,,,,
100.078.941,286-865-7,85392-07-0,"4-[(2,3-dihydro-5-benzofuranyl)methyl]piperazine-1-carbaldehyde","4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbaldehyde",O=CN1CCN(Cc2ccc3OCCc3c2)CC1,O=CN1CCN(Cc2ccc3OCCc3c2)CC1,"InChI=1/C14H18N2O2/c17-11-16-6-4-15(5-7-16)10-12-1-2-14-13(9-12)3-8-18-14/h1-2,9,11H,3-8,10H2",C14H18N2O2,,,,,,INHPLXJZZJIRNN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.947,286-872-5,85392-14-9,"2,2'-methylenebis[6-(o-isocyanatobenzyl)phenyl] diisocyanate","1,1'-methylenebis[2-isocyanato-3-(2-isocyanatobenzyl)benzene]",O=C=N/c4ccccc4Cc3cccc(Cc2cccc(Cc1ccccc1\\N=C=O)c2/N=C=O)c3\\N=C=O,O=C=N/c4ccccc4Cc3cccc(Cc2cccc(Cc1ccccc1\N=C=O)c2/N=C=O)c3\N=C=O,"InChI=1/C31H20N4O4/c36-18-32-28-13-3-1-7-22(28)15-24-9-5-11-26(30(24)34-20-38)17-27-12-6-10-25(31(27)35-21-39)16-23-8-2-4-14-29(23)33-19-37/h1-14H,15-17H2",C31H20N4O4,,,,,,BYABUGFHWIOBQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.143,302-504-9,94109-64-5,"N-(2,6-dichlorophenyl)-4,5-dihydro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazol-2-amine","N-(2,6-dichlorophenyl)-1-(tetrahydro-2H-pyran-2-yl)-4,5-dihydro-1H-imidazol-2-amine",Clc1cccc(Cl)c1NC2=NCCN2C3CCCCO3,Clc1cccc(Cl)c1NC2=NCCN2C3CCCCO3,"InChI=1/C14H17Cl2N3O/c15-10-4-3-5-11(16)13(10)18-14-17-7-8-19(14)12-6-1-2-9-20-12/h3-5,12H,1-2,6-9H2,(H,17,18)",C14H17Cl2N3O,,,,,,OVDYQESYGJDCSB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.153,302-515-9,94109-76-9,S-[2-[(6-ethoxy-2-benzothiazolyl)amino]-2-oxoethyl] ethanethioate,"S-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl} ethanethioate",CCOc1ccc2nc(NC(=O)CSC(=O)C)sc2c1,CCOc1ccc2nc(NC(=O)CSC(=O)C)sc2c1,"InChI=1/C13H14N2O3S2/c1-3-18-9-4-5-10-11(6-9)20-13(14-10)15-12(17)7-19-8(2)16/h4-6H,3,7H2,1-2H3,(H,14,15,17)",C13H14N2O3S2,,,,,,VACOUTTXFKATCV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.157,302-520-6,94109-80-5,"Methyl 8-ethyl-5,6,7,8-tetrahydro-2-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate","methyl 8-ethyl-2-methoxy-5-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate",CCN1CC(C(=O)OC)C(=O)c2cnc(OC)nc12,CCN1CC(C(=O)OC)C(=O)c2cnc(OC)nc12,"InChI=1/C12H15N3O4/c1-4-15-6-8(11(17)18-2)9(16)7-5-13-12(19-3)14-10(7)15/h5,8H,4,6H2,1-3H3",C12H15N3O4,,,,,,OLLMUVALDSVZFG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.052,285-887-4,85154-06-9,"Benzenesulfonic acid, 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-methoxy-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-, sodium salt, compd. with 2,2'-iminobis[ethanol]","sodium 5-({4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-methoxy-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}benzenesulfonate - 2,2'-iminodiethanol (1:1)",[Na+].COc4nc(Nc3ccc(C=Cc2ccc(Nc1nc(NCCS(O)(=O)=O)nc(OC)n1)cc2S(O)(=O)=O)c(c3)S([O-])(=O)=O)nc(n4)N(CCO)CCO.OCCNCCO,[Na+].COc4nc(Nc3ccc(C=Cc2ccc(Nc1nc(NCCS(O)(=O)=O)nc(OC)n1)cc2S(O)(=O)=O)c(c3)S([O-])(=O)=O)nc(n4)N(CCO)CCO.OCCNCCO,"InChI=1/C28H34N10O13S3.C4H11NO2.Na/c1-50-27-34-23(29-9-14-52(41,42)43)32-24(35-27)30-19-7-5-17(21(15-19)53(44,45)46)3-4-18-6-8-20(16-22(18)54(47,48)49)31-25-33-26(37-28(36-25)51-2)38(10-12-39)11-13-40;6-3-1-5-2-4-7;/h3-8,15-16,39-40H,9-14H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,31,33,36,37)(H2,29,30,32,34,35);5-7H,1-4H2;/q;;+1/p-1",C28H34N10O13S3.xC4H11NO2.xNa,,,,,,FRARBMHVIJTNMN-UHFFFAOYSA-M,,,,,,,,,,,
100.078.056,285-892-1,85154-10-5,N-[2-(acetylamino)ethyl]-N-[2-(stearoylamino)ethyl]stearamide,N-(2-acetamidoethyl)-N-[2-(stearoylamino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)C)C(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)C)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C42H83N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(47)44-37-39-45(38-36-43-40(3)46)42(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3,(H,43,46)(H,44,47)",C42H83N3O3,,,,,,NNGDOQBAJNRFBB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.057,285-893-7,85154-11-6,N-[2-[acetyl[2-[(1-oxohexadecyl)amino]ethyl]amino]ethyl]stearamide,N-(2-{acetyl[2-(palmitoylamino)ethyl]amino}ethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C,"InChI=1/C40H79N3O3/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(46)42-35-37-43(38(3)44)36-34-41-39(45)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h4-37H2,1-3H3,(H,41,45)(H,42,46)",C40H79N3O3,,,,,,QVRVJWAIJCTHPW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.060,285-896-3,85154-16-1,Dimethylbis[2-[(1-oxohexadecyl)oxy]ethyl]ammonium methyl phosphonate,"N,N-dimethyl-2-(palmitoyloxy)-N-[2-(palmitoyloxy)ethyl]ethanaminium methyl phosphonate",CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC.COP(=O)[O-],CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC.COP(=O)[O-],"InChI=1/C38H76NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(40)42-35-33-39(3,4)34-36-43-38(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h5-36H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1",C38H76NO4.CH4O3P,,,,,,FVDMHJYKIGGAAE-UHFFFAOYSA-M,,,,,,,,,,,
100.078.062,285-898-4,85154-18-3,2-[(2-hydroxy-1-methylethyl)methylamino]propan-2-ol,2-[(1-hydroxy-1-methylethyl)(methyl)amino]propan-1-ol,CC(CO)N(C)C(C)(C)O,CC(CO)N(C)C(C)(C)O,"InChI=1/C7H17NO2/c1-6(5-9)8(4)7(2,3)10/h6,9-10H,5H2,1-4H3",C7H17NO2,,,,,,GVPYQCRHYGKPDX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.065,285-902-4,85154-21-8,1-(hexadecylmethylamino)propan-2-ol,1-[hexadecyl(methyl)amino]propan-2-ol,CCCCCCCCCCCCCCCCN(C)CC(C)O,CCCCCCCCCCCCCCCCN(C)CC(C)O,"InChI=1/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3)19-20(2)22/h20,22H,4-19H2,1-3H3",C20H43NO,,,,,,MHDNDXQXNNAQTO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.067,285-905-0,85163-59-3,Potassium 3-(3-methylphenoxy)propanesulphonate,potassium 3-(3-methylphenoxy)propane-1-sulfonate,[K+].Cc1cccc(OCCCS(=O)(=O)[O-])c1,[K+].Cc1cccc(OCCCS(=O)(=O)[O-])c1,"InChI=1/C10H14O4S.K/c1-9-4-2-5-10(8-9)14-6-3-7-15(11,12)13;/h2,4-5,8H,3,6-7H2,1H3,(H,11,12,13);/q;+1/p-1",C10H14O4S.K,,,,,,GFTRJCLKQXPKHK-UHFFFAOYSA-M,,,,,,,,,,,
100.093.183,302-548-9,94110-09-5,"1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone, dipotassium salt","1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone, dipotassium salt",[K+].[K+].O=C1NC(=O)C2=C(N1)C(=O)NC(=O)N2,[K+].[K+].O=C1NC(=O)C2=C(N1)C(=O)NC(=O)N2,"InChI=1/C6H4N4O4.2K/c11-3-1-2(8-6(14)9-3)4(12)10-5(13)7-1;;/h(H2,7,10,12,13)(H2,8,9,11,14);;/q;2*+1",C6H4N4O4.2K,,,,,,OQNSOFHDTXYZPT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.184,302-549-4,94110-10-8,Methyl a-[(methoxycarbonyl)oxy]furan-2-acetate,methyl 2-furyl[(methoxycarbonyl)oxy]acetate,COC(=O)OC(C(=O)OC)c1occc1,COC(=O)OC(C(=O)OC)c1occc1,"InChI=1/C9H10O6/c1-12-8(10)7(15-9(11)13-2)6-4-3-5-14-6/h3-5,7H,1-2H3",C9H10O6,,,,,,MDSSZZXFPUYYPR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.105,274-939-1,70851-53-5,3-[[[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]amino]carbonyl]benzene-1-sulphonyl azide,3-[(2-{[3-(trimethoxysilyl)propyl]amino}ethyl)carbamoyl]benzenesulfonyl azide,CO[Si](CCCNCCNC(=O)c1cccc(c1)S(=O)(=O)N=[N+]=[N-])(OC)OC,CO[Si](CCCNCCNC(=O)c1cccc(c1)S(=O)(=O)N=[N+]=[N-])(OC)OC,"InChI=1/C15H25N5O6SSi/c1-24-28(25-2,26-3)11-5-8-17-9-10-18-15(21)13-6-4-7-14(12-13)27(22,23)20-19-16/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,18,21)",C15H25N5O6SSi,,,,,,KKFOMYQDJDFTMY-UHFFFAOYSA-N,,,,,,,,,,,
100.068.108,274-942-8,70851-61-5,(Z)-5-hex-3-enyldihydro-5-methylfuran-2(3H)-one,5-hex-3-en-1-yl-5-methyldihydrofuran-2(3H)-one,CC\\C=C/CCC1(C)CCC(=O)O1,CC\C=C/CCC1(C)CCC(=O)O1,"InChI=1/C11H18O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h4-5H,3,6-9H2,1-2H3",C11H18O2,,,,,,NIKDJTTZUYNCMM-PLNGDYQASA-N,,,,,,,,,,,
100.068.111,274-945-4,70858-46-7,(Z)-N-methyl-9-octadecenamide,N-methyloctadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NC,CCCCCCCC\C=C/CCCCCCCC(=O)NC,"InChI=1/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2/h10-11H,3-9,12-18H2,1-2H3,(H,20,21)",C19H37NO,,,,,,NJNFUPWMCKHLRE-KHPPLWFESA-N,,,,,,,,,,,
100.068.112,274-947-5,70862-30-5,"1-(5-amino-2-methyl-3-sulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid","1-(5-amino-2-methyl-3-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",Cc1c(cc(N)cc1S(=O)(=O)O)N2N=C(CC2=O)C(=O)O,Cc1c(cc(N)cc1S(=O)(=O)O)N2N=C(CC2=O)C(=O)O,"InChI=1/C11H11N3O6S/c1-5-8(2-6(12)3-9(5)21(18,19)20)14-10(15)4-7(13-14)11(16)17/h2-3H,4,12H2,1H3,(H,16,17)(H,18,19,20)",C11H11N3O6S,,,,,,IRJVHHLEYCHGJH-UHFFFAOYSA-N,,,,,,,,,,,
100.068.967,275-887-2,71720-39-3,"Spiro[cyclopentane-1,8'(1'H)-fluoranthene]-2,5-dione","1'H,2H,5H-spiro[cyclopentane-1,8'-fluoranthene]-2,5-dione",O=C1CCC(=O)C12C=CC3=C4CC=Cc5cccc(C3=C2)c45,O=C1CCC(=O)C12C=CC3=C4CC=Cc5cccc(C3=C2)c45,"InChI=1/C20H14O2/c21-17-7-8-18(22)20(17)10-9-13-14-5-1-3-12-4-2-6-15(19(12)14)16(13)11-20/h1-4,6,9-11H,5,7-8H2",C20H14O2,,,,,,JLPVAQVNKWQRAF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.969,275-889-3,71720-41-7,"Calcium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate","calcium bis[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate]",[Ca+2].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O.CN3C(=O)N(C)c4ncn(CC(=O)[O-])c4C3=O,[Ca+2].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O.CN3C(=O)N(C)c4ncn(CC(=O)[O-])c4C3=O,"InChI=1/2C9H10N4O4.Ca/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h2*4H,3H2,1-2H3,(H,14,15);/q;;+2/p-2",C9H10N4O4.1/2Ca,,,,,,GLKKXCKNQZHZHS-UHFFFAOYSA-L,,,,,,,,,,,
100.068.971,275-891-4,71720-43-9,1-bicyclo[2.2.1]hept-2-en-2-ylethan-1-one,1-bicyclo[2.2.1]hept-2-en-2-ylethanone,CC(=O)C1=CC2CCC1C2,CC(=O)C1=CC2CCC1C2,"InChI=1/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h5,7-8H,2-4H2,1H3",C9H12O,,,,,,ZBKHUDFVGLNUNL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.992,275-914-8,71720-86-0,"Tripotassium 7-[[4-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]phenyl]azo]naphthalene-1,3,5-trisulphonate","tripotassium 7-{[4-({4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl}diazenyl)phenyl]diazenyl}naphthalene-1,3,5-trisulfonate",[K+].[K+].[K+].Clc5c(Nc4ccc(N=Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)cc4)nc(F)nc5F,[K+].[K+].[K+].Clc5c(Nc4ccc(N=Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)cc4)nc(F)nc5F,"InChI=1/C26H16ClF2N7O9S3.3K/c27-23-24(28)31-26(29)32-25(23)30-13-1-3-14(4-2-13)33-34-15-5-7-16(8-6-15)35-36-17-9-19-20(21(10-17)47(40,41)42)11-18(46(37,38)39)12-22(19)48(43,44)45;;;/h1-12H,(H,30,31,32)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C26H16ClF2N7O9S3.3K,,,,,,CMWDUSGRNJDXKX-UHFFFAOYSA-K,,,,,,,,,,,
100.068.995,275-917-4,71720-91-7,"Tetrasodium 7-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,3,6-trisulphonate","tetrasodium 7-({6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].Clc5c(Nc3cc4cc(c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(F)nc5F,[Na+].[Na+].[Na+].[Na+].Clc5c(Nc3cc4cc(c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(F)nc5F,"InChI=1/C24H14ClF2N5O13S4.4Na/c25-19-22(26)29-24(27)30-23(19)28-11-1-2-13-9(3-11)6-18(49(43,44)45)20(21(13)33)32-31-15-8-14-10(5-17(15)48(40,41)42)4-12(46(34,35)36)7-16(14)47(37,38)39;;;;/h1-8,33H,(H,28,29,30)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4",C24H14ClF2N5O13S4.4Na,,,,,,VNDOWZLMZGGEFM-UHFFFAOYSA-J,,,,,,,,,,,
100.068.117,274-952-2,70865-25-7,"Trisodium hydrogen 4-[[5-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium hydrogen 4-{[5-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4\\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O,[H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O,"InChI=1/C25H18ClN9O12S3.3Na.H2/c26-23-29-24(27-12-1-6-15(7-2-12)48(39,40)41)31-25(30-23)28-13-3-10-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-4-8-16(9-5-14)49(42,43)44;;;;/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31);;;;1H/q;4*+1/p-4",C25H18ClN9O12S3.3Na,,,,,,LRSKGDUMNPFUKU-UHFFFAOYSA-K,,,,,,,,,,,
100.090.373,299-457-9,93882-73-6,Tetradecyl hydrogen 2-octadecenylsuccinate,3-[(tetradecyloxy)carbonyl]henicos-5-enoate,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCC,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCC,"InChI=1/C36H68O4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-34(33-35(37)38)36(39)40-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h27,29,34H,3-26,28,30-33H2,1-2H3,(H,37,38)/p-1",C36H68O4,,,,,,VOSBTAIXFOEVFC-UHFFFAOYSA-M,,,,,,,,,,,
100.090.374,299-458-4,93882-75-8,Hexadecyl hydrogen 2-octadecenylsuccinate,3-[(hexadecyloxy)carbonyl]henicos-5-enoate,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC,[O-]C(=O)CC(CC=CCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC,"InChI=1/C38H72O4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-36(35-37(39)40)38(41)42-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h29,31,36H,3-28,30,32-35H2,1-2H3,(H,39,40)/p-1",C38H72O4,,,,,,CELLCAJAKVTDJC-UHFFFAOYSA-M,,,,,,,,,,,
100.092.000,301-246-4,93982-58-2,2-(hexadecyloxy)pyridine,2-(hexadecyloxy)pyridine,CCCCCCCCCCCCCCCCOc1ccccn1,CCCCCCCCCCCCCCCCOc1ccccn1,"InChI=1/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22-21/h15-16,18-19H,2-14,17,20H2,1H3",C21H37NO,,,,,,KEPLGVIQZKUMPL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.002,301-249-0,93982-60-6,N-(1H-indol-3-ylmethylene)cyclohexylamine,N-(1H-indol-3-ylmethylene)cyclohexanamine,c2cccc3ncc(C=NC1CCCCC1)c23,c2cccc3ncc(C=NC1CCCCC1)c23,"InChI=1/C15H18N2/c1-2-6-13(7-3-1)16-10-12-11-17-15-9-5-4-8-14(12)15/h4-5,8-11,13,17H,1-3,6-7H2",C15H18N2,,,,,,IXWDHVDQGBWHON-UHFFFAOYSA-N,,,,,,,,,,,
100.092.005,301-252-7,93982-63-9,"Tetrasodium 4-amino-5-hydroxy-3-[[4-[[4-[[4-hydroxy-2-[(o-tolyl)amino]phenyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","tetrasodium 4-amino-5-hydroxy-3-[(4-{[4-({4-hydroxy-2-[(2-methylphenyl)amino]phenyl}diazenyl)phenyl]amino}-3-sulfonatophenyl)diazenyl]-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Oc7ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)c(Nc6ccccc6C)c7,[Na+].[Na+].[Na+].[Na+].Oc7ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)c(Nc6ccccc6C)c7,"InChI=1/C41H33N9O14S4.4Na/c1-22-4-2-3-5-30(22)44-33-21-28(51)13-17-31(33)48-45-25-8-6-24(7-9-25)43-32-16-12-27(20-34(32)66(56,57)58)47-49-39-35(67(59,60)61)18-23-19-36(68(62,63)64)40(41(52)37(23)38(39)42)50-46-26-10-14-29(15-11-26)65(53,54)55;;;;/h2-21,43-44,51-52H,42H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4",C41H33N9O14S4.4Na,,,,,,KSNZFDRXTTZXGC-UHFFFAOYSA-J,,,,,,,,,,,
100.092.010,301-257-4,93982-68-4,"L-lysine, compound with o-carboxyphenyl o-acetoxybenzoate (1:1)",2-[(2-acetoxybenzoyl)oxy]benzoic acid - L-lysine (1:1),CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O.NCCCC[C@H](N)C(=O)O,CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O.NCCCC[C@H](N)C(=O)O,"InChI=1/C16H12O6.C6H14N2O2/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19;7-4-2-1-3-5(8)6(9)10/h2-9H,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)",C16H12O6.C6H14N2O2,,,,,,LRGULMMVQRVNGO-ZSCHJXSPSA-N,,,,,,,,,,,
100.092.944,302-284-4,94107-50-3,"2,2'-[1-(2-dodecenyl)ethane-1,2-diyl]bis-2-oxazoline-4,4-dimethanol","[tetradec-4-ene-1,2-diylbis(4,5-dihydro-1,3-oxazole-2,4,4-triyl)]tetramethanol",OCC1(CO)/N=C(\\OC1)C(CC/2=N/C(CO)(CO)CO\\2)CC=CCCCCCCCCC,OCC1(CO)/N=C(\OC1)C(CC/2=N/C(CO)(CO)CO\2)CC=CCCCCCCCCC,"InChI=1/C24H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-20(22-26-24(16-29,17-30)19-32-22)13-21-25-23(14-27,15-28)18-31-21/h10-11,20,27-30H,2-9,12-19H2,1H3",C24H42N2O6,,,,,,JFLJAMGXRVXFEW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.951,302-292-8,94107-59-2,Ethyl a-cyclohexyl-a-hydroxythiophen-2-acetate,ethyl cyclohexyl(hydroxy)2-thienylacetate,CCOC(=O)C(O)(C1CCCCC1)c2cccs2,CCOC(=O)C(O)(C1CCCCC1)c2cccs2,"InChI=1/C14H20O3S/c1-2-17-13(15)14(16,12-9-6-10-18-12)11-7-4-3-5-8-11/h6,9-11,16H,2-5,7-8H2,1H3",C14H20O3S,,,,,,UWKQSWZLVGSIHT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.952,302-293-3,94107-60-5,"1,4-dihydro-6-nitro-2H-3,1-benzoxazin-2-one","6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one",[O-][N+](=O)c1ccc2NC(=O)OCc2c1,[O-][N+](=O)c1ccc2NC(=O)OCc2c1,"InChI=1/C8H6N2O4/c11-8-9-7-2-1-6(10(12)13)3-5(7)4-14-8/h1-3H,4H2,(H,9,11)",C8H6N2O4,,,,,,NLLUNRCIKRPYMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.966,302-309-9,94107-74-1,"Diammonium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]bisphosphonate","diammonium dihydrogen {[(3,5,5-trimethylhexyl)imino]bis(methylene)}bis(phosphonate)",[NH4+].[NH4+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,[NH4+].[NH4+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,"InChI=1/C11H27NO6P2.2H3N/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);2*1H3/p-2",C11H27NO6P2.2H3N,,,,,,PIYLVOZEPSGBOJ-UHFFFAOYSA-L,,,,,,,,,,,
100.092.969,302-313-0,94107-77-4,Triammonium hydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,triammonium hydrogen [(isopropylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.3H3N/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);3*1H3/p-1",C5H15NO6P2.3H3N,,,,,,FGBZENWTEWQOOR-UHFFFAOYSA-M,,,,,,,,,,,
100.078.949,286-874-6,85392-16-1,1-amino-4-hydroxy-2-(3-hydroxy-1-methylpropoxy)anthraquinone,"1-amino-4-hydroxy-2-(3-hydroxy-1-methylpropoxy)-9,10-anthraquinone",CC(CCO)Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,CC(CCO)Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C18H17NO5/c1-9(6-7-20)24-13-8-12(21)14-15(16(13)19)18(23)11-5-3-2-4-10(11)17(14)22/h2-5,8-9,20-21H,6-7,19H2,1H3",C18H17NO5,,,,,,FFBROZXPFIYGRX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.953,286-878-8,85392-20-7,"4-[[4-[[5-cyano-2,6-bis[(2-methoxyethyl)amino]-4-methyl-3-pyridyl]azo]-2,5-dimethylphenyl]azo]-N-[3-(2-phenoxyethoxy)propyl]benzamide","4-{[4-({5-cyano-2,6-bis[(2-methoxyethyl)amino]-4-methylpyridin-3-yl}diazenyl)-2,5-dimethylphenyl]diazenyl}-N-[3-(2-phenoxyethoxy)propyl]benzamide",O=C(NCCCOCCOc1ccccc1)c2ccc(cc2)N=Nc3cc(C)c(cc3C)N=Nc4c(C)c(C#N)c(NCCOC)nc4NCCOC,O=C(NCCCOCCOc1ccccc1)c2ccc(cc2)N=Nc3cc(C)c(cc3C)N=Nc4c(C)c(C#N)c(NCCOC)nc4NCCOC,"InChI=1/C39H47N9O5/c1-27-25-35(47-48-36-29(3)33(26-40)37(41-17-20-50-4)44-38(36)42-18-21-51-5)28(2)24-34(27)46-45-31-14-12-30(13-15-31)39(49)43-16-9-19-52-22-23-53-32-10-7-6-8-11-32/h6-8,10-15,24-25H,9,16-23H2,1-5H3,(H,43,49)(H2,41,42,44)",C39H47N9O5,,,,,,VJRANDUCFPZSRP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.954,286-879-3,85392-21-8,"5-[[2-chloro-4-(phenylazo)phenyl]azo]-2,6-bis[(3-methoxypropyl)amino]-4-methylnicotinonitrile","5-{[2-chloro-4-(phenyldiazenyl)phenyl]diazenyl}-2,6-bis[(3-methoxypropyl)amino]-4-methylnicotinonitrile",Clc3cc(N=Nc1ccccc1)ccc3N=Nc2c(C)c(C#N)c(NCCCOC)nc2NCCCOC,Clc3cc(N=Nc1ccccc1)ccc3N=Nc2c(C)c(C#N)c(NCCCOC)nc2NCCCOC,"InChI=1/C27H31ClN8O2/c1-19-22(18-29)26(30-13-7-15-37-2)32-27(31-14-8-16-38-3)25(19)36-35-24-12-11-21(17-23(24)28)34-33-20-9-5-4-6-10-20/h4-6,9-12,17H,7-8,13-16H2,1-3H3,(H2,30,31,32)",C27H31ClN8O2,,,,,,XBRHSBAEGUSQAN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.956,286-881-4,85392-23-0,"4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)thio]-N-(3-ethoxypropyl)benzenesulphonamide","4-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfanyl]-N-(3-ethoxypropyl)benzenesulfonamide",CCOCCCNS(=O)(=O)c1ccc(Sc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,CCOCCCNS(=O)(=O)c1ccc(Sc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1,"InChI=1/C25H24N2O6S2/c1-2-33-13-5-12-27-35(31,32)16-10-8-15(9-11-16)34-20-14-19(28)21-22(23(20)26)25(30)18-7-4-3-6-17(18)24(21)29/h3-4,6-11,14,27-28H,2,5,12-13,26H2,1H3",C25H24N2O6S2,,,,,,GLYMDZLRMMXZRM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.959,286-885-6,85392-26-3,(3-chlorophenyl)methyl 4-hydroxybenzoate,3-chlorobenzyl 4-hydroxybenzoate,Oc1ccc(cc1)C(=O)OCc2cccc(Cl)c2,Oc1ccc(cc1)C(=O)OCc2cccc(Cl)c2,"InChI=1/C14H11ClO3/c15-12-3-1-2-10(8-12)9-18-14(17)11-4-6-13(16)7-5-11/h1-8,16H,9H2",C14H11ClO3,,,,,,XHTLNOREYRWMPY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.537,300-737-0,93962-98-2,"Dipotassium 2,13-dibromo-16,17-dimethoxydinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-diyl bissulphate","dipotassium 2,13-dibromo-16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl disulfate",[K+].[K+].COc1cc2c3cc(Br)ccc3c(OS(=O)(=O)[O-])c4ccc5c6ccc7c(OS(=O)(=O)[O-])c8ccc(Br)cc8c9cc(OC)c(c1c5c24)c6c79,[K+].[K+].COc1cc2c3cc(Br)ccc3c(OS(=O)(=O)[O-])c4ccc5c6ccc7c(OS(=O)(=O)[O-])c8ccc(Br)cc8c9cc(OC)c(c1c5c24)c6c79,"InChI=1/C36H20Br2O10S2.2K/c1-45-27-13-25-23-11-15(37)3-5-19(23)35(47-49(39,40)41)21-9-7-17-18-8-10-22-30-26(14-28(46-2)34(32(18)30)33(27)31(17)29(21)25)24-12-16(38)4-6-20(24)36(22)48-50(42,43)44;;/h3-14H,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C36H20Br2O10S2.2K,,,,,,NQCYVKMFVLIHCU-UHFFFAOYSA-L,,,,,,,,,,,
100.091.540,300-740-7,93963-01-0,"3-(methylsulphonyl)-N-[5,10,15,16-tetrahydro-17-isopropylanthra[2,1,9-mna]naphth[2,3-h]acridin-11-yl]benzamide","N-(17-isopropyl-5,10,15,16-tetrahydroanthra[2,1,9-mna]naphtho[2,3-h]acridin-11-yl)-3-(methylsulfonyl)benzamide",CC(C)c1cc2c3ccccc3Cc4ccc5c6ccc7Cc8c(Cc7c6Nc1c5c24)cccc8NC(=O)c9cccc(c9)S(=O)(=O)C,CC(C)c1cc2c3ccccc3Cc4ccc5c6ccc7Cc8c(Cc7c6Nc1c5c24)cccc8NC(=O)c9cccc(c9)S(=O)(=O)C,"InChI=1/C42H34N2O3S/c1-23(2)33-22-36-30-12-5-4-8-24(30)18-27-15-16-31-32-17-14-26-20-34-25(21-35(26)40(32)44-41(33)39(31)38(27)36)9-7-13-37(34)43-42(45)28-10-6-11-29(19-28)48(3,46)47/h4-17,19,22-23,44H,18,20-21H2,1-3H3,(H,43,45)",C42H28N2O6S,,,,,,QODIXSFSNCDJTA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.543,300-743-3,93963-04-3,"1,4-bis(2-ethylhexyl) 2-sulphosuccinate, compound with 2-aminoethanol (1:1)","1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid - 2-aminoethanol (1:1)",CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.NCCO,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.NCCO,"InChI=1/C20H38O7S.C2H7NO/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;3-1-2-4/h16-18H,5-15H2,1-4H3,(H,23,24,25);4H,1-3H2",C20H38O7S.C2H7NO,,,,,,JTJXNYGUWBMYAL-UHFFFAOYSA-N,,,,,,,,,,,
100.091.547,300-748-0,93963-08-7,Dihydro-5-methyl-5-(2-phenylethyl)furan-2(3H)-one,5-methyl-5-(2-phenylethyl)dihydrofuran-2(3H)-one,CC1(CCc2ccccc2)CCC(=O)O1,CC1(CCc2ccccc2)CCC(=O)O1,"InChI=1/C13H16O2/c1-13(10-8-12(14)15-13)9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3",C13H16O2,,,,,,SCGRANQORLMPFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.549,300-750-1,93963-10-1,Ethyl 2-propylhept-2-enoate,ethyl 2-propylhept-2-enoate,CCOC(=O)C(=CCCCC)CCC,CCOC(=O)C(=CCCCC)CCC,"InChI=1/C12H22O2/c1-4-7-8-10-11(9-5-2)12(13)14-6-3/h10H,4-9H2,1-3H3",C12H22O2,,,,,,YNRAJURBLQEZAE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.551,300-752-2,93963-12-3,"4-cyclohexyl-3,3-dimethylbutan-2-one","4-cyclohexyl-3,3-dimethylbutan-2-one",CC(=O)C(C)(C)CC1CCCCC1,CC(=O)C(C)(C)CC1CCCCC1,"InChI=1/C12H22O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h11H,4-9H2,1-3H3",C12H22O,,,,,,MQIJHKKGQRWBMT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.186,302-552-0,94110-12-0,"2-(2,4-dimethylphenyl)-6-nitro-1H-benz[de]isoquinoline-1,3(2H)-dione","2-(2,4-dimethylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione",Cc1ccc(N2C(=O)c3cccc4c(ccc(C2=O)c34)[N+](=O)[O-])c(C)c1,Cc1ccc(N2C(=O)c3cccc4c(ccc(C2=O)c34)[N+](=O)[O-])c(C)c1,"InChI=1/C20H14N2O4/c1-11-6-8-16(12(2)10-11)21-19(23)14-5-3-4-13-17(22(25)26)9-7-15(18(13)14)20(21)24/h3-10H,1-2H3",C20H14N2O4,,,,,,SUJZKVRSVRWPAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.187,302-553-6,94110-13-1,"Sodium 1-amino-4-(2,6-dimethylanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(2,6-dimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1cccc(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],[Na+].Cc1cccc(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-],"InChI=1/C22H18N2O5S.Na/c1-11-6-5-7-12(2)20(11)24-15-10-16(30(27,28)29)19(23)18-17(15)21(25)13-8-3-4-9-14(13)22(18)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1",C22H18N2O5S.xNa,,,,,,JDQZWLNDFVMQMT-UHFFFAOYSA-M,,,,,,,,,,,
100.093.190,302-556-2,94110-16-4,"Icosyl hydrogen sulphate, compound with diethylamine (1:1)",icosyl hydrogen sulfate - N-ethylethanamine (1:1),CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.CCNCC,CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.CCNCC,"InChI=1/C20H42O4S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;1-3-5-4-2/h2-20H2,1H3,(H,21,22,23);5H,3-4H2,1-2H3",C20H42O4S.C4H11N,,,,,,LFAYCFLTCVPAPL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.090,285-930-7,85168-88-3,"1-(2,2-diethoxyethoxy)butane","1-(2,2-diethoxyethoxy)butane",CCCCOCC(OCC)OCC,CCCCOCC(OCC)OCC,"InChI=1/C10H22O3/c1-4-7-8-11-9-10(12-5-2)13-6-3/h10H,4-9H2,1-3H3",C10H22O3,,,,,,YSBXHBNOIYKJKC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.091,285-931-2,85168-89-4,"(2,2-dimethoxyethoxy)cyclohexane","(2,2-dimethoxyethoxy)cyclohexane",COC(COC1CCCCC1)OC,COC(COC1CCCCC1)OC,"InChI=1/C10H20O3/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3",C10H20O3,,,,,,CNBQYSJVWUILKY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.096,285-937-5,85168-94-1,Butyl 5-methylisoxazole-3-carboxylate,butyl 5-methylisoxazole-3-carboxylate,CCCCOC(=O)c1cc(C)on1,CCCCOC(=O)c1cc(C)on1,"InChI=1/C9H13NO3/c1-3-4-5-12-9(11)8-6-7(2)13-10-8/h6H,3-5H2,1-2H3",C9H13NO3,,,,,,KJWXLOFPERELSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.098,285-939-6,85168-96-3,"1,1',1''-[benzene-1,3,5-triyltris(oxy)]tris[3-[4-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]phenoxy]propan-2-ol]","1,1'-[{5-[2-hydroxy-3-(4-{1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl}phenoxy)propoxy]-1,3-phenylene}bis(oxy)]bis[3-(4-{1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl}phenoxy)propan-2-ol]",CC(C)(c1ccc(OCC(O)COc2cc(OCC(O)COc3ccc(cc3)C(C)(C)c4ccc(OCC5CO5)cc4)cc(OCC(O)COc6ccc(cc6)C(C)(C)c7ccc(OCC8CO8)cc7)c2)cc1)c9ccc(OCC%10CO%10)cc9,CC(C)(c1ccc(OCC(O)COc2cc(OCC(O)COc3ccc(cc3)C(C)(C)c4ccc(OCC5CO5)cc4)cc(OCC(O)COc6ccc(cc6)C(C)(C)c7ccc(OCC8CO8)cc7)c2)cc1)c9ccc(OCC%10CO%10)cc9,"InChI=1/C69H78O15/c1-67(2,49-13-25-58(26-14-49)79-40-64-43-82-64)46-7-19-55(20-8-46)73-34-52(70)37-76-61-31-62(77-38-53(71)35-74-56-21-9-47(10-22-56)68(3,4)50-15-27-59(28-16-50)80-41-65-44-83-65)33-63(32-61)78-39-54(72)36-75-57-23-11-48(12-24-57)69(5,6)51-17-29-60(30-18-51)81-42-66-45-84-66/h7-33,52-54,64-66,70-72H,34-45H2,1-6H3",C69H78O15,,,,,,LUJXRCDTCHTUOW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.121,285-964-2,85169-22-8,2-methoxyethyl 4-amino-3-bromo-5-nitrobenzoate,2-methoxyethyl 4-amino-3-bromo-5-nitrobenzoate,COCCOC(=O)c1cc(Br)c(N)c(c1)[N+](=O)[O-],COCCOC(=O)c1cc(Br)c(N)c(c1)[N+](=O)[O-],"InChI=1/C10H11BrN2O5/c1-17-2-3-18-10(14)6-4-7(11)9(12)8(5-6)13(15)16/h4-5H,2-3,12H2,1H3",C10H11BrN2O5,,,,,,VSZRJUOHUCALQG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.122,285-965-8,85169-23-9,3-acetamidophenyl dimethylsulphamate,3-acetamidophenyl dimethylsulfamate,CN(C)S(=O)(=O)Oc1cccc(NC(=O)C)c1,CN(C)S(=O)(=O)Oc1cccc(NC(=O)C)c1,"InChI=1/C10H14N2O4S/c1-8(13)11-9-5-4-6-10(7-9)16-17(14,15)12(2)3/h4-7H,1-3H3,(H,11,13)",C10H14N2O4S,,,,,,SYBYTWGFALJZPA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.123,285-966-3,85169-24-0,2-(2-hydroxyethoxy)ethyl 2-methyl-2-[(1-oxoallyl)amino]propanesulphonate,2-(2-hydroxyethoxy)ethyl 2-(acryloylamino)-2-methylpropane-1-sulfonate,CC(C)(CS(=O)(=O)OCCOCCO)NC(=O)C=C,CC(C)(CS(=O)(=O)OCCOCCO)NC(=O)C=C,"InChI=1/C11H21NO6S/c1-4-10(14)12-11(2,3)9-19(15,16)18-8-7-17-6-5-13/h4,13H,1,5-9H2,2-3H3,(H,12,14)",C11H21NO6S,,,,,,SGIHMIJIJOLHAD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.206,302-574-0,94113-41-4,N-[2-[(2-aminoethyl)amino]ethyl]palmitamide monoacetate,N-{2-[(2-aminoethyl)amino]ethyl}hexadecanamide acetate,CCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O,"InChI=1/C20H43N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)23-19-18-22-17-16-21;1-2(3)4/h22H,2-19,21H2,1H3,(H,23,24);1H3,(H,3,4)",C20H43N3O.C2H4O2,,,,,,TXAGXHVJHVCANS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.207,302-575-6,94113-42-5,N-[2-[(2-aminoethyl)amino]ethyl]octadec-9-enamide monoacetate,N-{2-[(2-aminoethyl)amino]ethyl}octadec-9-enamide acetate,O=C(NCCNCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O,O=C(NCCNCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O,"InChI=1/C22H45N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-2(3)4/h9-10,24H,2-8,11-21,23H2,1H3,(H,25,26);1H3,(H,3,4)",C22H45N3O.C2H4O2,,,,,,WMZUOZRHKFCKEK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.124,274-960-6,70865-32-6,"4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-2,5-dichloro-N-(2-chloroethyl)benzenesulphonamide","4-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-2,5-dichloro-N-(2-chloroethyl)benzenesulfonamide",Clc2cc(c(Cl)cc2N=Nc1ccc(cc1)N(CCO)CCO)S(=O)(=O)NCCCl,Clc2cc(c(Cl)cc2N=Nc1ccc(cc1)N(CCO)CCO)S(=O)(=O)NCCCl,"InChI=1/C18H21Cl3N4O4S/c19-5-6-22-30(28,29)18-12-15(20)17(11-16(18)21)24-23-13-1-3-14(4-2-13)25(7-9-26)8-10-27/h1-4,11-12,22,26-27H,5-10H2",C18H21Cl3N4O4S,,,,,,KYDCGDFUABSMKI-UHFFFAOYSA-N,,,,,,,,,,,
100.088.407,297-292-7,93384-78-2,"Dodecanoic acid, barium salt, basic",-,[Ba+2].CCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.Ba/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+2/p-1",-,,,,,,VEJNDSDAGLIJPY-UHFFFAOYSA-M,,,,,,,,,,,
100.062.022,268-244-2,68039-26-9,Pentyl 2-methylbutyrate,pentyl 2-methylbutanoate,CCCCCOC(=O)C(C)CC,CCCCCOC(=O)C(C)CC,"InChI=1/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3",C10H20O2,,,,,,RHNBXPIJLXBHMF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.029,268-252-6,68039-34-9,Methyl 2-[[[3-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]benzoate,methyl 2-({[3-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]methylene}amino)benzoate,COC(=O)c2ccccc2N=CC1C/C(=C\\CC1)CCCC(C)(C)O,COC(=O)c2ccccc2N=CC1C/C(=C\CC1)CCCC(C)(C)O,"InChI=1/C21H29NO3/c1-21(2,24)13-7-10-16-8-6-9-17(14-16)15-22-19-12-5-4-11-18(19)20(23)25-3/h4-5,8,11-12,15,17,24H,6-7,9-10,13-14H2,1-3H3",C21H29NO3,,,,,,SHVPQYKJRHVCDY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.032,268-255-2,68039-39-4,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl 2-methylpropanoate",CC(C)C(=O)OC1CC2CC1C3CC=CC23,CC(C)C(=O)OC1CC2CC1C3CC=CC23,"InChI=1/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3-4,8-13H,5-7H2,1-2H3",C14H20O2,,,,,,NOVRMYIRGSLBER-UHFFFAOYSA-N,,,,,,,,,,,
100.062.033,268-256-8,68039-40-7,"3,6-dihydro-2,4-dimethyl-6-phenyl-2H-pyran","2,4-dimethyl-6-phenyl-3,6-dihydro-2H-pyran",CC1CC(=CC(O1)c2ccccc2)C,CC1CC(=CC(O1)c2ccccc2)C,"InChI=1/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-7,9,11,13H,8H2,1-2H3",C13H16O,,,,,,KJAJQPSBQHSPCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.039,268-263-6,68039-48-5,"3,5-dimethylcyclohex-3-ene-1-carbaldehyde","3,5-dimethylcyclohex-3-ene-1-carbaldehyde",CC1CC(CC(=C1)C)C=O,CC1CC(CC(=C1)C)C=O,"InChI=1/C9H14O/c1-7-3-8(2)5-9(4-7)6-10/h3,6-7,9H,4-5H2,1-2H3",C9H14O,,,,,,ZHDQGHCZWWDMRS-UHFFFAOYSA-N,,,,,,,,,,,
100.085.935,294-567-3,91731-99-6,"Bis(2-ethylhexyl) hydrogen phosphate, compound with 2-aminoethanol (1:1)",bis(2-ethylhexyl) hydrogen phosphate - 2-aminoethanol (1:1),CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.NCCO,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.NCCO,"InChI=1/C16H35O4P.C2H7NO/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;3-1-2-4/h15-16H,5-14H2,1-4H3,(H,17,18);4H,1-3H2",C16H35O4P.C2H7NO,,,,,,QLPAUYNUTUADDO-UHFFFAOYSA-N,,,,,,,,,,,
100.069.661,276-651-1,72406-93-0,cis-3-chlorodihydro-5-phenylfuran-2(3H)-one,3-chloro-5-phenyldihydrofuran-2(3H)-one,Cl[C@H]1C[C@H](OC1=O)c2ccccc2,Cl[C@H]1C[C@H](OC1=O)c2ccccc2,"InChI=1/C10H9ClO2/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7/h1-5,8-9H,6H2",C10H9ClO2,,,,,,PPTAMHXAGMBIQQ-IUCAKERBSA-N,,,,,,,,,,,
100.069.664,276-654-8,72406-99-6,trans-3-chlorodihydro-5-phenylfuran-2(3H)-one,3-chloro-5-phenyldihydrofuran-2(3H)-one,Cl[C@@H]1C[C@H](OC1=O)c2ccccc2,Cl[C@@H]1C[C@H](OC1=O)c2ccccc2,"InChI=1/C10H9ClO2/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7/h1-5,8-9H,6H2",C10H9ClO2,,,,,,PPTAMHXAGMBIQQ-BDAKNGLRSA-N,,,,,,,,,,,
100.069.665,276-655-3,72407-00-2,trans-3-chlorodihydro-3-methyl-5-phenylfuran-2(3H)-one,3-chloro-3-methyl-5-phenyldihydrofuran-2(3H)-one,C[C@@]1(Cl)C[C@H](OC1=O)c2ccccc2,C[C@@]1(Cl)C[C@H](OC1=O)c2ccccc2,"InChI=1/C11H11ClO2/c1-11(12)7-9(14-10(11)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",C11H11ClO2,,,,,,IVPWPXOKZYCQNZ-GXSJLCMTSA-N,,,,,,,,,,,
100.069.670,276-661-6,72432-03-2,"1,5-dideoxy-1,5-[(2-hydroxyethyl)imino]-D-glucitol","1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol",OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,"InChI=1/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2",C8H17NO5,,,,,,IBAQFPQHRJAVAV-ULAWRXDQSA-N,,,,,,,,,,,
100.069.672,276-663-7,72436-51-2,2-benzylcyclohexylamine,2-benzylcyclohexanamine,NC1CCCCC1Cc2ccccc2,NC1CCCCC1Cc2ccccc2,"InChI=1/C13H19N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2",C13H19N,,,,,,YOPIHDSNQOMRGC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.674,276-665-8,72451-53-7,Heptamethylphenyltrisiloxane,"1,1,1,3,3,5,5-heptamethyl-5-phenyltrisiloxane",C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccccc1,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccccc1,"InChI=1/C13H26O2Si3/c1-16(2,3)14-18(6,7)15-17(4,5)13-11-9-8-10-12-13/h8-12H,1-7H3",C13H26O2Si3,,,,,,PADKJHZREGCUJG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.675,276-666-3,72453-57-7,"3-[1-(dodecyloxy)butyl]-1,3,4-thiadiazolidine-2,5-dithione","3-[1-(dodecyloxy)butyl]-1,3,4-thiadiazolidine-2,5-dithione",CCCCCCCCCCCCOC(CCC)N1NC(=S)SC1=S,CCCCCCCCCCCCOC(CCC)N1NC(=S)SC1=S,"InChI=1/C18H34N2OS3/c1-3-5-6-7-8-9-10-11-12-13-15-21-16(14-4-2)20-18(23)24-17(22)19-20/h16H,3-15H2,1-2H3,(H,19,22)",C18H34N2OS3,,,,,,RRGMOIMGKQCAOW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.789,299-914-2,93918-32-2,D-glucitol trilaurate,"1,2,3-tri-O-dodecanoyl-D-glucitol",CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](O)[C@H](O)CO,CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](O)[C@H](O)CO,"InChI=1/C42H80O9/c1-4-7-10-13-16-19-22-25-28-31-38(45)49-35-37(50-39(46)32-29-26-23-20-17-14-11-8-5-2)42(41(48)36(44)34-43)51-40(47)33-30-27-24-21-18-15-12-9-6-3/h36-37,41-44,48H,4-35H2,1-3H3",C42H80O9,,,,,,IEQRBSIMNUWJSO-JXWCMEKSSA-N,,,,,,,,,,,
100.090.791,299-916-3,93918-35-5,"Ethylene bis[[(8-octyl-5,11-dioxo-1,4-dioxa-7,9-dithia-8-stannacycloundec-8-yl)thio]acetate]","ethane-1,2-diyl bis{[(5-octyl-2,8-dioxo-1,9-dioxa-4,6-dithia-5-stannacycloundecan-5-yl)sulfanyl]acetate}",CCCCCCCC[Sn]1(SCC(=O)OCCOC(=O)CS[Sn]2(CCCCCCCC)SCC(=O)OCCOC(=O)CS2)SCC(=O)OCCOC(=O)CS1,CCCCCCCC[Sn]1(SCC(=O)OCCOC(=O)CS[Sn]2(CCCCCCCC)SCC(=O)OCCOC(=O)CS2)SCC(=O)OCCOC(=O)CS1,"InChI=1/2C8H17.3C6H10O4S2.2Sn/c2*1-3-5-7-8-6-4-2;3*7-5(3-11)9-1-2-10-6(8)4-12;;/h2*1,3-8H2,2H3;3*11-12H,1-4H2;;/q;;;;;2*+3/p-6/rC34H58O12S6Sn2/c1-3-5-7-9-11-13-21-53(47-23-29(35)41-15-16-42-30(36)24-48-53)51-27-33(39)45-19-20-46-34(40)28-52-54(22-14-12-10-8-6-4-2)49-25-31(37)43-17-18-44-32(38)26-50-54/h3-28H2,1-2H3",C34H58O12S6Sn2,,,,,,OPHMNYUIPXZCPU-UHFFFAOYSA-H,,,,,,,,,,,
100.090.798,299-924-7,93918-45-7,Dinonylammonium dinonyldithiocarbamate,N-nonylnonan-1-aminium dinonyldithiocarbamate,CCCCCCCCC[NH2+]CCCCCCCCC.CCCCCCCCCN(CCCCCCCCC)C(=S)[S-],CCCCCCCCC[NH2+]CCCCCCCCC.CCCCCCCCCN(CCCCCCCCC)C(=S)[S-],"InChI=1/C19H39NS2.C18H39N/c1-3-5-7-9-11-13-15-17-20(19(21)22)18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,21,22);19H,3-18H2,1-2H3",C19H39NS2.C18H39N,,,,,,AKOKVYJNVWTVIX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.812,299-939-9,93918-59-3,"N,N'-(iminodiethylene)bispalmitamide monoacetate","N,N'-(iminodiethane-2,1-diyl)dihexadecanamide acetate",CCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C36H73N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)38-33-31-37-32-34-39-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h37H,3-34H2,1-2H3,(H,38,40)(H,39,41);1H3,(H,3,4)",C36H73N3O2.C2H4O2,,,,,,LEIGTYZUOSZGDI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.821,299-949-3,93918-69-5,Cerium(3+) bromate,cerium(3+) tribromate,[Ce+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Ce+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Ce/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Ce,,,,,,XHKOOTFZHJHDTI-UHFFFAOYSA-K,,,,,,,,,,,
100.090.822,299-950-9,93918-70-8,Diammonium dysprosium pentanitrate,diammonium dysprosium pentanitrate,[NH4+].[NH4+].[Dy+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Dy+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Dy.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2,Dy.2H3N.5HNO3,,,,,,IMNYJJZSMHEUBQ-UHFFFAOYSA-P,,,,,,,,,,,
100.090.823,299-951-4,93918-71-9,Dysprosium magnesium pentanitrate,dysprosium magnesium pentanitrate,[Mg+2].[Dy+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Dy+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Dy.Mg.5NO3/c;;5*2-1(3)4/q+3;+2;5*-1,Dy.5HNO3.Mg,,,,,,APNLHUCUKXRYRB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.011,301-259-5,93982-69-5,Ethyl ß-hexyl-2-oxocyclopentanepropionate,ethyl 3-(2-oxocyclopentyl)nonanoate,CCCCCCC(CC(=O)OCC)C1CCCC1=O,CCCCCCC(CC(=O)OCC)C1CCCC1=O,"InChI=1/C16H28O3/c1-3-5-6-7-9-13(12-16(18)19-4-2)14-10-8-11-15(14)17/h13-14H,3-12H2,1-2H3",C16H28O3,,,,,,BLVHIQKSWHUOCG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.028,301-277-3,93982-91-3,(Z)-2-hydroxypropyl(2-hydroxyethyl)methyl[2-[(1-oxo-9-octadecenyl)amino]ethyl]ammonium methyl sulphate,2-hydroxy-N-(2-hydroxyethyl)-N-methyl-N-[2-(oleoylamino)ethyl]propan-1-aminium methyl sulfate,CCCCCCCC\\C=C/CCCCCCCC(=O)NCC[N+](C)(CCO)CC(C)O.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCC[N+](C)(CCO)CC(C)O.COS(=O)(=O)[O-],"InChI=1/C26H52N2O3.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31)27-20-21-28(3,22-23-29)24-25(2)30;1-5-6(2,3)4/h11-12,25,29-30H,4-10,13-24H2,1-3H3;1H3,(H,2,3,4)",C26H53N2O3.CH3O4S,,,,,,UIBLMQVWQXUWMK-AFEZEDKISA-N,,,,,,,,,,,
100.092.030,301-279-4,93982-93-5,"Disodium 4,4'-bis[[6-anilino-4-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-{[4-anilino-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino}benzenesulfonate)",[Na+].[Na+].OCCOc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(OCCO)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].OCCOc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(OCCO)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C36H34N10O10S2.2Na/c47-17-19-55-35-43-31(37-25-7-3-1-4-8-25)41-33(45-35)39-27-15-13-23(29(21-27)57(49,50)51)11-12-24-14-16-28(22-30(24)58(52,53)54)40-34-42-32(38-26-9-5-2-6-10-26)44-36(46-34)56-20-18-48;;/h1-16,21-22,47-48H,17-20H2,(H,49,50,51)(H,52,53,54)(H2,37,39,41,43,45)(H2,38,40,42,44,46);;/q;2*+1/p-2",C36H34N10O10S2.2Na,,,,,,BLYMTTICGYPELP-YHPRVSEPSA-L,,,,,,,,,,,
100.092.033,301-283-6,93982-96-8,"N,N'-diphenylguanidine monohydrobromide","1,3-diphenylguanidine hydrobromide",Br.N=C(Nc1ccccc1)Nc2ccccc2,Br.N=C(Nc1ccccc1)Nc2ccccc2,"InChI=1/C13H13N3.BrH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H",C13H13N3.BrH,,,,,,DSESGJJGBBAHNW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.552,300-753-8,93963-13-4,Allyl 2-methylbutyrate,allyl 2-methylbutanoate,CCC(C)C(=O)OCC=C,CCC(C)C(=O)OCC=C,"InChI=1/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h4,7H,1,5-6H2,2-3H3",C8H14O2,,,,,,ZSPLJXGRHFJQKO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.561,300-763-2,93963-22-5,Octyl 4-ethyloctanoate,octyl 4-ethyloctanoate,CCCCCCCCOC(=O)CCC(CC)CCCC,CCCCCCCCOC(=O)CCC(CC)CCCC,"InChI=1/C18H36O2/c1-4-7-9-10-11-12-16-20-18(19)15-14-17(6-3)13-8-5-2/h17H,4-16H2,1-3H3",C18H36O2,,,,,,SKIXMVZTIDNOJN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.565,300-767-4,93963-26-9,"Sodium (5a)-4,5-epoxy-6-hydroxy-3-methoxy-17-methylmorphinan-6-sulphonate","sodium 6-hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-sulfonate",[Na+].COc1ccc2C[C@@H]3[C@@H]4CCC(O)([C@@H]5Oc1c2[C@]45CCN3C)S(=O)(=O)[O-],[Na+].COc1ccc2C[C@@H]3[C@@H]4CCC(O)([C@@H]5Oc1c2[C@]45CCN3C)S(=O)(=O)[O-],"InChI=1/C18H23NO6S.Na/c1-19-8-7-17-11-5-6-18(20,26(21,22)23)16(17)25-15-13(24-2)4-3-10(14(15)17)9-12(11)19;/h3-4,11-12,16,20H,5-9H2,1-2H3,(H,21,22,23);/q;+1/p-1",C18H23NO6S.Na,,,,,,MSWYSONGDIURAJ-NSOLXDFJSA-M,,,,,,,,,,,
100.091.575,300-778-4,93963-36-1,a-(isopropyl)-<U+03B3>-methylcyclohexanepropanol,5-cyclohexyl-2-methylhexan-3-ol,CC(C)C(O)CC(C)C1CCCCC1,CC(C)C(O)CC(C)C1CCCCC1,"InChI=1/C13H26O/c1-10(2)13(14)9-11(3)12-7-5-4-6-8-12/h10-14H,4-9H2,1-3H3",C13H26O,,,,,,NFHXEHFWFFRUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.449,301-739-4,94042-74-7,"Trisodium 3-[[2-(acetylamino)-4-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,5-disulphonate","trisodium 3-{[2-acetamido-4-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc1ccc(cc1)S([O-])(=O)=O)nc(Nc4cc(NC(C)=O)c(N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O)cc4)n5,[Na+].[Na+].[Na+].Clc5nc(Nc1ccc(cc1)S([O-])(=O)=O)nc(Nc4cc(NC(C)=O)c(N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O)cc4)n5,"InChI=1/C27H21ClN8O10S3.3Na/c1-14(37)29-22-12-16(31-27-33-25(28)32-26(34-27)30-15-5-8-18(9-6-15)47(38,39)40)7-10-21(22)36-35-17-11-20-19(24(13-17)49(44,45)46)3-2-4-23(20)48(41,42)43;;;/h2-13H,1H3,(H,29,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,30,31,32,33,34);;;/q;3*+1/p-3",C27H21ClN8O10S3.3Na,,,,,,UYOWNJSHICAUHQ-UHFFFAOYSA-K,,,,,,,,,,,
100.092.450,301-741-5,94042-75-8,"Tetrasodium 2-[[6-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzene-1,4-disulphonate","tetrasodium 2-{[6-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc3cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Nc4ccc(cc4)S([O-])(=O)=O)n5,[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc3cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Nc4ccc(cc4)S([O-])(=O)=O)n5,"InChI=1/C25H18ClN7O13S4.4Na/c26-23-29-24(27-13-1-4-15(5-2-13)47(35,36)37)31-25(30-23)28-14-3-7-17-12(9-14)10-20(50(44,45)46)21(22(17)34)33-32-18-11-16(48(38,39)40)6-8-19(18)49(41,42)43;;;;/h1-11,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,27,28,29,30,31);;;;/q;4*+1/p-4",C25H18ClN7O13S4.4Na,,,,,,SGFKIFOYZRJSKP-UHFFFAOYSA-J,,,,,,,,,,,
100.092.451,301-742-0,94042-76-9,Lithium hydrogen sebacate,lithium hydrogen sebacate,[Li+].[O-]C(=O)CCCCCCCCC(=O)[O-],[Li+].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/C10H18O4.Li/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H,11,12)(H,13,14);/q;+1/p-2",C10H18O4.Li,,,,,,GYZOCMZOBAZZSX-UHFFFAOYSA-L,,,,,,,,,,,
100.092.454,301-745-7,94042-79-2,Ethyl a-mercaptofuran-2-butyrate,ethyl 4-(2-furyl)-2-sulfanylbutanoate,CCOC(=O)C(S)CCc1occc1,CCOC(=O)C(S)CCc1occc1,"InChI=1/C10H14O3S/c1-2-12-10(11)9(14)6-5-8-4-3-7-13-8/h3-4,7,9,14H,2,5-6H2,1H3",C10H14O3S,,,,,,FSMRWQFJKNXIQF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.002,285-832-4,85153-51-1,Methyl 2-amino-a-(hydroxyimino)thiazol-4-acetate,"methyl (2-amino-1,3-thiazol-4-yl)(hydroxyimino)acetate",ON=C(c1csc(N)n1)C(=O)OC,ON=C(c1csc(N)n1)C(=O)OC,"InChI=1/C6H7N3O3S/c1-12-5(10)4(9-11)3-2-13-6(7)8-3/h2,11H,1H3,(H2,7,8)",C6H7N3O3S,,,,,,PLRLPASADYABSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.969,286-896-6,85392-37-6,3-(isopropyl)-6-methylcyclohexen-1-yl acetate,3-isopropyl-6-methylcyclohex-1-en-1-yl acetate,CC(C)C1CCC(C)C(=C1)OC(=O)C,CC(C)C1CCC(C)C(=C1)OC(=O)C,"InChI=1/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h7-9,11H,5-6H2,1-4H3",C12H20O2,,,,,,YUWKYQNAIQTEAF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.970,286-897-1,85392-38-7,"(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl acetate","(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl acetate",CC(=O)OCC1C2CCC(C2)C1(C)C,CC(=O)OCC1C2CCC(C2)C1(C)C,"InChI=1/C12H20O2/c1-8(13)14-7-11-9-4-5-10(6-9)12(11,2)3/h9-11H,4-7H2,1-3H3",C12H20O2,,,,,,GDGJJTDGFXXYEW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.971,286-898-7,85392-39-8,"4,7,7-trimethylbicyclo[4.1.0]hept-3-yl acetate","4,7,7-trimethylbicyclo[4.1.0]hept-3-yl acetate",CC1CC2C(CC1OC(=O)C)C2(C)C,CC1CC2C(CC1OC(=O)C)C2(C)C,"InChI=1/C12H20O2/c1-7-5-9-10(12(9,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3",C12H20O2,,,,,,UWKSAKQUWSBZEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.973,286-900-6,85392-41-2,"4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethyl-2-buten-1-ol","4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethylbut-2-en-1-ol",CC2(C)C1CCC(C1)C2CC=C(CC)CO,CC2(C)C1CCC(C1)C2CC=C(CC)CO,"InChI=1/C15H26O/c1-4-11(10-16)5-8-14-12-6-7-13(9-12)15(14,2)3/h5,12-14,16H,4,6-10H2,1-3H3",C15H26O,,,,,,IEHRSGLWAAYRDG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.209,302-577-7,94113-44-7,"6-pentyl-1,4-dioxaspiro[4.4]nonane","6-pentyl-1,4-dioxaspiro[4.4]nonane",CCCCCC1CCCC12OCCO2,CCCCCC1CCCC12OCCO2,"InChI=1/C12H22O2/c1-2-3-4-6-11-7-5-8-12(11)13-9-10-14-12/h11H,2-10H2,1H3",C12H22O2,,,,,,ZBBPBGZPDYTISN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.211,302-579-8,94113-46-9,N-[3-(octadecyloxy)propyl]-ß-alanine,N-[3-(octadecyloxy)propyl]-beta-alanine,CCCCCCCCCCCCCCCCCCOCCCNCCC(=O)O,CCCCCCCCCCCCCCCCCCOCCCNCCC(=O)O,"InChI=1/C24H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-23-18-20-25-21-19-24(26)27/h25H,2-23H2,1H3,(H,26,27)",C24H49NO3,,,,,,KUXTXLYINCAPMS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.212,302-580-3,94113-47-0,"3,3-dimethyl-1,5-dioxacycloundecane-6,11-dione","3,3-dimethyl-1,5-dioxacycloundecane-6,11-dione",CC1(C)COC(=O)CCCCC(=O)OC1,CC1(C)COC(=O)CCCCC(=O)OC1,"InChI=1/C11H18O4/c1-11(2)7-14-9(12)5-3-4-6-10(13)15-8-11/h3-8H2,1-2H3",C11H18O4,,,,,,YXVYDRRQLYLXJF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.216,302-585-0,94113-51-6,"1,1'-oxybis[3,3-dimethylbutane]","1,1'-oxybis(3,3-dimethylbutane)",CC(C)(C)CCOCCC(C)(C)C,CC(C)(C)CCOCCC(C)(C)C,"InChI=1/C12H26O/c1-11(2,3)7-9-13-10-8-12(4,5)6/h7-10H2,1-6H3",C12H26O,,,,,,AYMZQSQRCFSZCR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.221,302-590-8,94113-56-1,"1-(4'-bromo[1,1'-biphenyl]-4-yl)-3-(dimethylamino)propan-1-one",1-(4'-bromobiphenyl-4-yl)-3-(dimethylamino)propan-1-one,CN(C)CCC(=O)c1ccc(cc1)c2ccc(Br)cc2,CN(C)CCC(=O)c1ccc(cc1)c2ccc(Br)cc2,"InChI=1/C17H18BrNO/c1-19(2)12-11-17(20)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14/h3-10H,11-12H2,1-2H3",C17H18BrNO,,,,,,ZGBXKCDIXNVJQB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.222,302-591-3,94113-57-2,"Disodium 4-(acetylamino)-5-hydroxy-6-(phenylazo)naphthalene-1,7-disulphonate","disodium 4-acetamido-5-hydroxy-6-(phenyldiazenyl)naphthalene-1,7-disulfonate",[Na+].[Na+].CC(=O)Nc2ccc(c3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc2ccc(c3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C18H15N3O8S2.2Na/c1-10(22)19-13-7-8-14(30(24,25)26)12-9-15(31(27,28)29)17(18(23)16(12)13)21-20-11-5-3-2-4-6-11;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C18H15N3O8S2.2Na,,,,,,RLLNZXVKBYGKIP-UHFFFAOYSA-L,,,,,,,,,,,
100.093.226,302-596-0,94113-61-8,"4'-bromo-a-(4-chlorophenyl)-a-vinyl-[1,1'-biphenyl]-4-methanol",1-(4'-bromobiphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-ol,OC(C=C)(c1ccc(Cl)cc1)c2ccc(cc2)c3ccc(Br)cc3,OC(C=C)(c1ccc(Cl)cc1)c2ccc(cc2)c3ccc(Br)cc3,"InChI=1/C21H16BrClO/c1-2-21(24,18-9-13-20(23)14-10-18)17-7-3-15(4-8-17)16-5-11-19(22)12-6-16/h2-14,24H,1H2",C21H16BrClO,,,,,,GNDXHAOQVVNPNN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.228,302-598-1,94113-63-0,"Disodium 4-[2,2-bis(hydroxymethyl)-3-[(1-oxooctadec-9-enyl)oxy]propyl] 2-sulphonatosuccinate",disodium 4-{3-hydroxy-2-(hydroxymethyl)-2-[(oleoyloxy)methyl]propoxy}-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC=CCCCCCCCC)C(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC=CCCCCCCCC)C(=O)[O-],"InChI=1/C27H48O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h9-10,23,28-29H,2-8,11-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2",C27H48O11S.2Na,,,,,,JNNZXBFWYXYBTQ-UHFFFAOYSA-L,,,,,,,,,,,
100.093.234,302-604-2,94113-70-9,"(Z)-2-(8-heptadecenyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride","2-heptadec-8-en-1-yl-1,3-bis(2-hydroxyethyl)imidazolidin-1-ium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC1N(CCO)CC[NH+]1CCO,[Cl-].CCCCCCCC\C=C/CCCCCCCC1N(CCO)CC[NH+]1CCO,"InChI=1/C24H48N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(20-22-27)18-19-26(24)21-23-28;/h9-10,24,27-28H,2-8,11-23H2,1H3;1H",C24H47N2O2.Cl,,,,,,KPGIBTFRMDDNBN-KVVVOXFISA-N,,,,,,,,,,,
100.093.235,302-605-8,94113-71-0,"1-(2-aminoethyl)-2-henicosyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium chloride",1-(2-aminoethyl)-2-henicosyl-3-(2-hydroxyethyl)imidazolidin-1-ium chloride,[Cl-].CCCCCCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCN,[Cl-].CCCCCCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCN,"InChI=1/C28H59N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-30(23-22-29)24-25-31(28)26-27-32;/h28,32H,2-27,29H2,1H3;1H",C28H58N3O.Cl,,,,,,QVNNZHAQNLZICJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.001,299-049-0,93841-77-1,"Hexapotassium tetrahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",hexapotassium tetrahydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.6K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;/q;6*+1/p-10",C9H28N3O15P5.6K,,,,,,OXMJSSBBCPOHIN-UHFFFAOYSA-D,,,,,,,,,,,
100.090.014,299-063-7,93842-83-2,Benzyldiethyl[1-methyl-2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"N-benzyl-N,N-diethyl-1-(methacryloyloxy)propan-2-aminium chloride",[Cl-].CC[N+](CC)(Cc1ccccc1)C(C)COC(=O)C(=C)C,[Cl-].CC[N+](CC)(Cc1ccccc1)C(C)COC(=O)C(=C)C,"InChI=1/C18H28NO2.ClH/c1-6-19(7-2,13-17-11-9-8-10-12-17)16(5)14-21-18(20)15(3)4;/h8-12,16H,3,6-7,13-14H2,1-2,4-5H3;1H/q+1;/p-1",C18H28NO2.Cl,,,,,,KGERKPITQIXMGT-UHFFFAOYSA-M,,,,,,,,,,,
100.069.678,276-670-5,72460-46-9,"1-(2-chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid","1-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OC(=O)C1=NN(C(=O)C1)c2ccccc2Cl,OC(=O)C1=NN(C(=O)C1)c2ccccc2Cl,"InChI=1/C10H7ClN2O3/c11-6-3-1-2-4-8(6)13-9(14)5-7(12-13)10(15)16/h1-4H,5H2,(H,15,16)",C10H7ClN2O3,,,,,,CXGIZOHEERRFKI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.681,276-673-1,72469-39-7,N-(1-methylnonyl)acrylamide,N-(1-methylnonyl)acrylamide,CCCCCCCCC(C)NC(=O)C=C,CCCCCCCCC(C)NC(=O)C=C,"InChI=1/C13H25NO/c1-4-6-7-8-9-10-11-12(3)14-13(15)5-2/h5,12H,2,4,6-11H2,1,3H3,(H,14,15)",C13H25NO,,,,,,ZHGWIENOBKPCMX-UHFFFAOYSA-N,,,,,,,,,,,
100.069.683,276-675-2,72479-28-8,"Sodium 4-chloro-3-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-chloro-3-(4-{[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[Na+].Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O,[Na+].Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O,"InChI=1/C22H15Cl3N4O5S.Na/c1-12-21(22(30)29(28-12)18-11-14(35(31,32)33)7-8-15(18)24)27-26-17-10-13(23)6-9-20(17)34-19-5-3-2-4-16(19)25;/h2-11,21H,1H3,(H,31,32,33);/q;+1/p-1",C22H15Cl3N4O5S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18166,https://echa.europa.eu/substance-information/-/substanceinfo/100.069.683,OCJDFNKUOCKZCE-UHFFFAOYSA-M,,,,,,,,,,,
100.062.040,268-264-1,68039-49-6,"2,4-dimethylcyclohex-3-ene-1-carbaldehyde","2,4-dimethylcyclohex-3-ene-1-carbaldehyde",CC1C=C(C)CCC1C=O,CC1C=C(C)CCC1C=O,"InChI=1/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3",C9H14O,,,,,,MZZRKEIUNOYYDF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.041,268-265-7,68039-51-0,"4,4'-diamino-4''-anilinotrityl alcohol",bis(4-aminophenyl)(4-anilinophenyl)methanol,Nc1ccc(cc1)C(O)(c2ccc(N)cc2)c3ccc(Nc4ccccc4)cc3,Nc1ccc(cc1)C(O)(c2ccc(N)cc2)c3ccc(Nc4ccccc4)cc3,"InChI=1/C25H23N3O/c26-21-12-6-18(7-13-21)25(29,19-8-14-22(27)15-9-19)20-10-16-24(17-11-20)28-23-4-2-1-3-5-23/h1-17,28-29H,26-27H2",C25H23N3O,,,,,,PKYBTWMTSARYJR-UHFFFAOYSA-N,,,,,,,,,,,
100.062.042,268-266-2,68039-52-1,"4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis[N-phenylaniline] monohydrochloride","4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis(N-phenylaniline) hydrochloride",Cl.N=C1C=CC(=C(c2ccc(Nc3ccccc3)cc2)c4ccc(Nc5ccccc5)cc4)C=C1,Cl.N=C1C=CC(=C(c2ccc(Nc3ccccc3)cc2)c4ccc(Nc5ccccc5)cc4)C=C1,"InChI=1/C31H25N3.ClH/c32-26-17-11-23(12-18-26)31(24-13-19-29(20-14-24)33-27-7-3-1-4-8-27)25-15-21-30(22-16-25)34-28-9-5-2-6-10-28;/h1-22,32-34H;1H",C31H25N3.ClH,,,,,,MEZKZGRAPVWJPF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.052,268-277-2,68039-70-3,"Ethyl 2,6-decadienoate","ethyl deca-2,6-dienoate",CCOC(=O)C=CCCC=CCCC,CCOC(=O)C=CCCC=CCCC,"InChI=1/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h6-7,10-11H,3-5,8-9H2,1-2H3",C12H20O2,,,,,,IKYQRQZDESYHSL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.054,268-279-3,68039-72-5,"2-methyl-1,3-dioxolan-2-ylethyl acetate","1-(2-methyl-1,3-dioxolan-2-yl)ethyl acetate",CC(OC(=O)C)C1(C)OCCO1,CC(OC(=O)C)C1(C)OCCO1,"InChI=1/C8H14O4/c1-6(12-7(2)9)8(3)10-4-5-11-8/h6H,4-5H2,1-3H3",C8H14O4,,,,,,WLYFEPOSQMYULX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.062,268-288-2,68047-37-0,"2-(4-bromophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole","2-(4-bromophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole",Brc1ccc(cc1)c2oc(nn2)c3cccc4ccccc34,Brc1ccc(cc1)c2oc(nn2)c3cccc4ccccc34,InChI=1/C18H11BrN2O/c19-14-10-8-13(9-11-14)17-20-21-18(22-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,C18H11BrN2O,,,,,,VZEIYIPOCFGTPV-UHFFFAOYSA-N,,,,,,,,,,,
100.062.065,268-291-9,68047-40-5,"2-(3-methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole","2-(3-methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole",COc1cccc(c1)c2oc(nn2)c3ccc4ccccc4c3,COc1cccc(c1)c2oc(nn2)c3ccc4ccccc4c3,"InChI=1/C19H14N2O2/c1-22-17-8-4-7-15(12-17)18-20-21-19(23-18)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3",C19H14N2O2,,,,,,SKSQMTDHWXDWFS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.067,268-294-5,68047-42-7,"2-(3-fluorophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole","2-(3-fluorophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole",Fc1cccc(c1)c2oc(nn2)c3ccc4ccccc4c3,Fc1cccc(c1)c2oc(nn2)c3ccc4ccccc4c3,InChI=1/C18H11FN2O/c19-16-7-3-6-14(11-16)17-20-21-18(22-17)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,C18H11FN2O,,,,,,URAYKVLZKLVGLE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.068,268-295-0,68047-43-8,"2-(2-fluorophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole","2-(2-fluorophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole",Fc1ccccc1c2oc(nn2)c3ccc4ccccc4c3,Fc1ccccc1c2oc(nn2)c3ccc4ccccc4c3,InChI=1/C18H11FN2O/c19-16-8-4-3-7-15(16)18-21-20-17(22-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,C18H11FN2O,,,,,,PQFGTNWSOPHOHE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.697,276-690-4,72482-64-5,"2,4-difluorobenzoyl chloride","2,4-difluorobenzoyl chloride",Fc1ccc(C(=O)Cl)c(F)c1,Fc1ccc(C(=O)Cl)c(F)c1,InChI=1/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H,C7H3ClF2O,,,,,,JSWRVDNTKPAJLB-UHFFFAOYSA-N,,,,,,,,,,,
100.069.703,276-697-2,72491-44-2,1-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]quinolinium iodide,"1-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium iodide",[I-].CC[n+]3c4ccccc4ccc3C=CC=C2[Se]c1ccccc1N2CC,[I-].CC[n+]3c4ccccc4ccc3C=CC=C2[Se]c1ccccc1N2CC,"InChI=1/C23H23N2Se.HI/c1-3-24-19(17-16-18-10-5-6-12-20(18)24)11-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",C23H23N2Se.I,,,,,,XSZVFOMMQLNORF-UHFFFAOYSA-M,,,,,,,,,,,
100.092.992,302-338-7,94108-01-7,Sodium tridecyl phthalate,sodium 2-[(tridecyloxy)carbonyl]benzoate,[Na+].CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-],[Na+].CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-],"InChI=1/C21H32O4.Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-25-21(24)19-16-13-12-15-18(19)20(22)23;/h12-13,15-16H,2-11,14,17H2,1H3,(H,22,23);/q;+1/p-1",C21H32O4.Na,,,,,,XMCZOEVXHZONKE-UHFFFAOYSA-M,,,,,,,,,,,
100.092.996,302-342-9,94108-05-1,N-(1-oxobutyl)-L-cystine,N-butyryl-L-cystine,CCCC(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,CCCC(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,"InChI=1/C10H18N2O5S2/c1-2-3-8(13)12-7(10(16)17)5-19-18-4-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)",C10H18N2O5S2,,,,,,DZLKMQVMKBHIIE-BQBZGAKWSA-N,,,,,,,,,,,
100.092.998,302-345-5,94108-07-3,Methyl 5-oxo-1-[3-(triethoxysilyl)propyl]pyrrolidine-3-carboxylate,methyl 5-oxo-1-[3-(triethoxysilyl)propyl]pyrrolidine-3-carboxylate,CCO[Si](CCCN1CC(CC1=O)C(=O)OC)(OCC)OCC,CCO[Si](CCCN1CC(CC1=O)C(=O)OC)(OCC)OCC,"InChI=1/C15H29NO6Si/c1-5-20-23(21-6-2,22-7-3)10-8-9-16-12-13(11-14(16)17)15(18)19-4/h13H,5-12H2,1-4H3",C15H29NO6Si,,,,,,GJHHDZHJMFJSQX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.148,299-210-5,93857-74-0,"6-amino-5-[[4-[[4-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]benzoyl]amino]-2-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid","6-amino-5-({4-[(4-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoyl)amino]-2-sulfophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid",Clc5ccc(NC(=O)Nc1ccc(cc1)C(=O)Nc4ccc(N=Nc2c3c(O)cc(cc3ccc2N)S(O)(=O)=O)c(c4)S(O)(=O)=O)cc5Cl,Clc5ccc(NC(=O)Nc1ccc(cc1)C(=O)Nc4ccc(N=Nc2c3c(O)cc(cc3ccc2N)S(O)(=O)=O)c(c4)S(O)(=O)=O)cc5Cl,"InChI=1/C30H22Cl2N6O9S2/c31-21-8-6-18(12-22(21)32)36-30(41)35-17-4-1-15(2-5-17)29(40)34-19-7-10-24(26(13-19)49(45,46)47)37-38-28-23(33)9-3-16-11-20(48(42,43)44)14-25(39)27(16)28/h1-14,39H,33H2,(H,34,40)(H2,35,36,41)(H,42,43,44)(H,45,46,47)",C30H22Cl2N6O9S2,,,,,,BRTGKAYUBYKCAY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.149,299-211-0,93857-75-1,"4,4'-[1,4-phenylenebis[carbonylimino[6-[(4-sulpho-1-naphthyl)azo]-3,1-phenylene]imino]]bis[4-oxo-2-butenoic] acid","4,4'-[1,4-phenylenebis(carbonylimino{6-[(4-sulfo-1-naphthyl)diazenyl]-3,1-phenylene}imino)]bis(4-oxobut-2-enoic acid)",OC(=O)C=CC(=O)Nc3cc(ccc3N=Nc2ccc(c1ccccc12)S(O)(=O)=O)NC(=O)c4ccc(cc4)C(=O)Nc7ccc(N=Nc5ccc(c6ccccc56)S(O)(=O)=O)c(c7)NC(=O)C=CC(O)=O,OC(=O)C=CC(=O)Nc3cc(ccc3N=Nc2ccc(c1ccccc12)S(O)(=O)=O)NC(=O)c4ccc(cc4)C(=O)Nc7ccc(N=Nc5ccc(c6ccccc56)S(O)(=O)=O)c(c7)NC(=O)C=CC(O)=O,"InChI=1/C48H34N8O14S2/c57-43(21-23-45(59)60)51-39-25-29(13-15-37(39)55-53-35-17-19-41(71(65,66)67)33-7-3-1-5-31(33)35)49-47(63)27-9-11-28(12-10-27)48(64)50-30-14-16-38(40(26-30)52-44(58)22-24-46(61)62)56-54-36-18-20-42(72(68,69)70)34-8-4-2-6-32(34)36/h1-26H,(H,49,63)(H,50,64)(H,51,57)(H,52,58)(H,59,60)(H,61,62)(H,65,66,67)(H,68,69,70)",C48H34N8O14S2,,,,,,HOQCLWQSPIGQDI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.150,299-212-6,93857-77-3,"Hydrogen 6-methyl-2-[2-methyl-3-[6-methyl-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium, compound with pyridine (1:1)","hydrogen 4-[6-methyl-2-{2-methyl-3-[6-methyl-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzothiazol-3(2H)-yl]butane-1-sulfonate pyridine (1:1)",[H+].[O-]S(=O)(=O)CCCC[n+]3c4ccc(C)cc4sc3C=C(C)C=C2Sc1cc(C)ccc1N2CCCCS([O-])(=O)=O.c1ccccn1,[H+].[O-]S(=O)(=O)CCCC[n+]3c4ccc(C)cc4sc3C=C(C)C=C2Sc1cc(C)ccc1N2CCCCS([O-])(=O)=O.c1ccccn1,"InChI=1/C28H34N2O6S4.C5H5N.H2/c1-20-8-10-23-25(16-20)37-27(29(23)12-4-6-14-39(31,32)33)18-22(3)19-28-30(13-5-7-15-40(34,35)36)24-11-9-21(2)17-26(24)38-28;1-2-4-6-5-3-1;/h8-11,16-19H,4-7,12-15H2,1-3H3,(H-,31,32,33,34,35,36);1-5H;1H/q;;+1/p-1",C28H34N2O6S4.C5H5N,,,,,,MMYHQGYVEKISBP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.151,299-213-1,93857-79-5,"Hydrogen 6-methyl-2-[2-methyl-3-[6-methyl-3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium, compound with pyridine (1:1)","hydrogen 4-[6-methyl-2-{2-methyl-3-[6-methyl-3-(3-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzothiazol-3(2H)-yl]butane-2-sulfonate pyridine (1:1)",[H+].[O-]S(=O)(=O)C(C)CC[n+]3c4ccc(C)cc4sc3C=C(C)C=C2Sc1cc(C)ccc1N2CCC(C)S([O-])(=O)=O.c1ccccn1,[H+].[O-]S(=O)(=O)C(C)CC[n+]3c4ccc(C)cc4sc3C=C(C)C=C2Sc1cc(C)ccc1N2CCC(C)S([O-])(=O)=O.c1ccccn1,"InChI=1/C28H34N2O6S4.C5H5N.H2/c1-18-6-8-23-25(14-18)37-27(29(23)12-10-21(4)39(31,32)33)16-20(3)17-28-30(13-11-22(5)40(34,35)36)24-9-7-19(2)15-26(24)38-28;1-2-4-6-5-3-1;/h6-9,14-17,21-22H,10-13H2,1-5H3,(H-,31,32,33,34,35,36);1-5H;1H/q;;+1/p-1",C28H34N2O6S4.C5H5N,,,,,,QTVJUSDJWRWEPW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.153,299-215-2,93857-81-9,5-[3-ethyl-5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid,"{3-ethyl-5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-4,4'-dioxo-2'-thioxo-2,5'-bi-1,3-thiazolidin-3'-yl}acetic acid",CCN3CCSC3=CC=C2SC(=C1SC(=S)N(CC(O)=O)C1=O)N(CC)C2=O,CCN3CCSC3=CC=C2SC(=C1SC(=S)N(CC(O)=O)C1=O)N(CC)C2=O,"InChI=1/C17H19N3O4S4/c1-3-18-7-8-26-11(18)6-5-10-14(23)19(4-2)16(27-10)13-15(24)20(9-12(21)22)17(25)28-13/h5-6H,3-4,7-9H2,1-2H3,(H,21,22)",C17H19N3O4S4,,,,,,ICKCVZCUTGPMSI-UHFFFAOYSA-N,,,,,,,,,,,
100.078.977,286-904-8,85392-45-6,Tetradecyl 3-amino-2-butenoate,tetradecyl 3-aminobut-2-enoate,CC(N)=CC(=O)OCCCCCCCCCCCCCC,CC(N)=CC(=O)OCCCCCCCCCCCCCC,"InChI=1/C18H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-18(20)16-17(2)19/h16H,3-15,19H2,1-2H3",C18H35NO2,,,,,,CYQRNPRRACEWDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.984,286-912-1,85392-52-5,"Propyl 2,4-dioxovalerate, monosodium salt",-,[Na+].CCCOC(=O)C(=O)CC(=O)C,[Na+].CCCOC(=O)C(=O)CC(=O)C,"InChI=1/C8H12O4.Na/c1-3-4-12-8(11)7(10)5-6(2)9;/h3-5H2,1-2H3;/q;+1",C8H11O4.Na,,,,,,FIPAEIKICUHMCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.999,286-928-9,85392-70-7,"Bis[1,4-diethyl-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)azo]-1H-1,2,4-triazolium] tetrachlorozincate(2-)","bis{1,4-diethyl-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)diazenyl]-4,5-dihydro-1H-1,2,4-triazol-1-ium} tetrachlorozincate(2-)",CCN4/C=N\\[NH+](CC)C4N=Nc3c1ccccc1n(CC)c3c2ccccc2.Cl[Zn-2](Cl)(Cl)Cl.CCn4c1ccccc1c(N=NC2[NH+](CC)\\N=C/N2CC)c4c3ccccc3,CCN4/C=N\[NH+](CC)C4N=Nc3c1ccccc1n(CC)c3c2ccccc2.Cl[Zn-2](Cl)(Cl)Cl.CCn4c1ccccc1c(N=NC2[NH+](CC)\N=C/N2CC)c4c3ccccc3,"InChI=1/2C22H26N6.4ClH.Zn/c2*1-4-26-16-23-28(6-3)22(26)25-24-20-18-14-10-11-15-19(18)27(5-2)21(20)17-12-8-7-9-13-17;;;;;/h2*7-16,22H,4-6H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C22H26N6.Cl4Zn/c2*1-4-26-16-23-28(6-3)22(26)25-24-20-18-14-10-11-15-19(18)27(5-2)21(20)17-12-8-7-9-13-17;1-5(2,3)4/h2*7-16,22H,4-6H2,1-3H3;/q;;-2/p+2",C22H25N6.1/2Cl4Zn,,,,,,BUUDWHMGFBMQLN-UHFFFAOYSA-L,,,,,,,,,,,
100.091.578,300-782-6,93963-39-4,(bicyclo[2.2.1]hept-2-yl)methyl propionate,bicyclo[2.2.1]hept-2-ylmethyl propionate,CCC(=O)OCC1CC2CCC1C2,CCC(=O)OCC1CC2CCC1C2,"InChI=1/C11H18O2/c1-2-11(12)13-7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3",C11H18O2,,,,,,ILYGOVBAIRGHAB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.579,300-783-1,93963-40-7,1-cyclohexylethyl ethyl carbonate,1-cyclohexylethyl ethyl carbonate,CCOC(=O)OC(C)C1CCCCC1,CCOC(=O)OC(C)C1CCCCC1,"InChI=1/C11H20O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3",C11H20O3,,,,,,RMEKEYDDFDWNSG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.584,300-788-9,93963-45-2,[2-(methacryloyloxy)ethyl]dimethyltetradecylammonium bromide,"N-[2-(methacryloyloxy)ethyl]-N,N-dimethyltetradecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)C(=C)C,[Br-].CCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)C(=C)C,"InChI=1/C22H44NO2.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4,5)19-20-25-22(24)21(2)3;/h2,6-20H2,1,3-5H3;1H/q+1;/p-1",C22H44NO2.Br,,,,,,RLXOMWVHDGMFGA-UHFFFAOYSA-M,,,,,,,,,,,
100.091.585,300-789-4,93963-46-3,(p-dodecylbenzyl)dimethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"2-(acryloyloxy)-N-(4-dodecylbenzyl)-N,N-dimethylethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)CCOC(=O)C=C)cc1,[Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)CCOC(=O)C=C)cc1,"InChI=1/C26H44NO2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-24-17-19-25(20-18-24)23-27(3,4)21-22-29-26(28)6-2;/h6,17-20H,2,5,7-16,21-23H2,1,3-4H3;1H/q+1;/p-1",C26H44NO2.Cl,,,,,,MLSHZAJDVCMNGE-UHFFFAOYSA-M,,,,,,,,,,,
100.091.589,300-794-1,93963-50-9,(3-cyano-2-hydroxypropyl)trimethylammonium hydrogen oxalate,"3-cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium hydrogen oxalate",C[N+](C)(C)CC(O)CC#N.[O-]C(=O)C(=O)[O-],C[N+](C)(C)CC(O)CC#N.[O-]C(=O)C(=O)[O-],"InChI=1/C7H15N2O.C2H2O4/c1-9(2,3)6-7(10)4-5-8;3-1(4)2(5)6/h7,10H,4,6H2,1-3H3;(H,3,4)(H,5,6)/q+1;/p-2",C7H15N2O.C2HO4,,,,,,TZZVPAIYNRLTPR-UHFFFAOYSA-L,,,,,,,,,,,
100.091.593,300-798-3,93963-55-4,"N,N'-[(1,2-dioxoethylene)bis(iminoethylene)]bis[(2-chlorobenzyl)diethylammonium] bis(5-oxo-L-prolinate)","2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[N-(2-chlorobenzyl)-N,N-diethylethanaminium] bis(5-oxopyrrolidine-2-carboxylate)",CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl.[O-]C(=O)[C@@H]3CCC(=O)N3.[O-]C(=O)[C@@H]4CCC(=O)N4,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl.[O-]C(=O)[C@@H]3CCC(=O)N3.[O-]C(=O)[C@@H]4CCC(=O)N4,"InChI=1/C28H40Cl2N4O2.2C5H7NO3/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;2*7-4-2-1-3(6-4)5(8)9/h9-16H,5-8,17-22H2,1-4H3;2*3H,1-2H2,(H,6,7)(H,8,9)",C28H42Cl2N4O2.2C5H6NO3,,,,,,LSNZDNHWCBEBIE-YHUPNWGDSA-N,,,,,,,,,,,
100.091.602,300-808-6,93963-64-5,"5-oxo-L-proline, compound with 1-(1-benzylbutyl)pyrrolidine (1:1)",5-oxo-L-proline - 1-(1-benzylbutyl)pyrrolidine (1:1),CCCC(Cc1ccccc1)N2CCCC2.OC(=O)[C@@H]3CCC(=O)N3,CCCC(Cc1ccccc1)N2CCCC2.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C15H23N.C5H7NO3/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14;7-4-2-1-3(6-4)5(8)9/h3-5,9-10,15H,2,6-8,11-13H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C15H23N.C5H7NO3,,,,,,UZAHXMKUBVQSKM-HVDRVSQOSA-N,,,,,,,,,,,
100.091.604,300-810-7,93963-66-7,"5-oxo-L-proline, compound with 4-[4-tert-butylbenzyl]-1-[4-chlorobenzhydryl]piperazine (2:1)",5-oxo-L-proline - 1-(4-tert-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazine (2:1),CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1.OC(=O)[C@@H]5CCC(=O)N5.OC(=O)[C@@H]6CCC(=O)N6,CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1.OC(=O)[C@@H]5CCC(=O)N5.OC(=O)[C@@H]6CCC(=O)N6,"InChI=1/C28H33ClN2.2C5H7NO3/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;2*7-4-2-1-3(6-4)5(8)9/h4-16,27H,17-21H2,1-3H3;2*3H,1-2H2,(H,6,7)(H,8,9)",C28H33ClN2.2C5H7NO3,,,,,,NRYBPSTUXITXES-YHUPNWGDSA-N,,,,,,,,,,,
100.090.021,299-071-0,93842-93-4,Methyl 2-[(2-methyl-1-oxoallyl)oxy]-1-methylethyltrimethylammonium sulphate,"1-(methacryloyloxy)-N,N,N-trimethylpropan-2-aminium methyl sulfate",COS(=O)(=O)[O-].CC(COC(=O)C(=C)C)[N+](C)(C)C,COS(=O)(=O)[O-].CC(COC(=O)C(=C)C)[N+](C)(C)C,"InChI=1/C10H20NO2.CH4O4S/c1-8(2)10(12)13-7-9(3)11(4,5)6;1-5-6(2,3)4/h9H,1,7H2,2-6H3;1H3,(H,2,3,4)/q+1;/p-1",C10H20NO2.CH3O4S,,,,,,LHVUPQLAGGMVMP-UHFFFAOYSA-M,,,,,,,,,,,
100.078.258,286-114-3,85187-26-4,"(S)-N,N-diethyl-1-(4-fluorobenzoyl)-5-oxopyrrolidine-2-carboxamide","N,N-diethyl-1-(4-fluorobenzoyl)-5-oxo-L-prolinamide",CCN(CC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccc(F)cc2,CCN(CC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccc(F)cc2,"InChI=1/C16H19FN2O3/c1-3-18(4-2)16(22)13-9-10-14(20)19(13)15(21)11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3",C16H19FN2O3,,,,,,UWCLQNOADLPZHJ-ZDUSSCGKSA-N,,,,,,,,,,,
100.078.265,286-122-7,85187-33-3,Disodium 6-amino-5-[[4-[(2-bromo-1-oxoallyl)amino]-2-[(4-methyl-3-sulphonatophenyl)sulphonyl]phenyl]azo]naphthalene-2-sulphonate,disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-[(4-methyl-3-sulfonatophenyl)sulfonyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1C)S(=O)(=O)c4cc(NC(=O)C(Br)=C)ccc4N=Nc2c3ccc(cc3ccc2N)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1C)S(=O)(=O)c4cc(NC(=O)C(Br)=C)ccc4N=Nc2c3ccc(cc3ccc2N)S([O-])(=O)=O,"InChI=1/C26H21BrN4O9S3.2Na/c1-14-3-6-18(13-23(14)43(38,39)40)41(33,34)24-12-17(29-26(32)15(2)27)5-10-22(24)30-31-25-20-8-7-19(42(35,36)37)11-16(20)4-9-21(25)28;;/h3-13H,2,28H2,1H3,(H,29,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C26H21BrN4O9S3.2Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18518,https://echa.europa.eu/substance-information/-/substanceinfo/100.078.265,QTUYUTJUQCCNBJ-UHFFFAOYSA-L,,,,,,,,,,,
100.078.271,286-129-5,85187-39-9,1-[[[3-(aminomethyl)phenyl]methyl]amino]-3-phenoxypropan-2-ol,1-{[3-(aminomethyl)benzyl]amino}-3-phenoxypropan-2-ol,NCc1cccc(CNCC(O)COc2ccccc2)c1,NCc1cccc(CNCC(O)COc2ccccc2)c1,"InChI=1/C17H22N2O2/c18-10-14-5-4-6-15(9-14)11-19-12-16(20)13-21-17-7-2-1-3-8-17/h1-9,16,19-20H,10-13,18H2",C17H22N2O2,,,,,,ZPFBSOGXAYWMTR-UHFFFAOYSA-N,,,,,,,,,,,
100.078.275,286-133-7,85187-43-5,"Potassium sodium 2-hydroxypropane-1,2,3-tricarboxylate(3:3:2)","potassium sodium 2-hydroxypropane-1,2,3-tricarboxylate(3:3:2)",[NaH].[NaH].[NaH].[KH].[KH].[KH].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NaH].[NaH].[NaH].[KH].[KH].[KH].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3K.3Na.6H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;;;;;/q;;6*+1;;;;;;/p-6/r2C6H8O7.3HK.3HNa/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);6*1H/q;;6*+1/p-6",C6H8O7.3/2K.3/2Na,,,,,,ZPUYHWJFANZUIT-UHFFFAOYSA-H,,,,,,,,,,,
100.078.282,286-141-0,85187-50-4,"2,2-dimethylpropane-1,3-diyl methylcyclohex-4-ene-1,2-dicarboxylate","6-[(3-{[(6-carboxy-1-methylcyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]-6-methylcyclohex-3-ene-1-carboxylate",CC(C)(COC(=O)C1(C)CC=CCC1C(=O)O)COC(=O)C2(C)CC=CCC2C(=O)[O-],CC(C)(COC(=O)C1(C)CC=CCC1C(=O)O)COC(=O)C2(C)CC=CCC2C(=O)[O-],"InChI=1/C23H32O8/c1-21(2,13-30-19(28)22(3)11-7-5-9-15(22)17(24)25)14-31-20(29)23(4)12-8-6-10-16(23)18(26)27/h5-8,15-16H,9-14H2,1-4H3,(H,24,25)(H,26,27)/p-1",C23H32O8,,,,,,YWOLXMWBDWZDGN-UHFFFAOYSA-M,,,,,,,,,,,
100.078.287,286-146-8,85187-59-3,"N,N'-[(acetylimino)diethane-2,1-diyl]bishexadecan-1-amide","N,N'-[(acetylimino)diethane-2,1-diyl]dihexadecanamide",CCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C,CCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C,"InChI=1/C38H75N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(43)39-32-34-41(36(3)42)35-33-40-38(44)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3,(H,39,43)(H,40,44)",C38H75N3O3,,,,,,XWMRAHYRLADCRD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.200,301-466-0,94021-75-7,"[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide","N-(4-{[4-(diethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydroxide",[OH-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,[OH-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,"InChI=1/C27H33N2.H2O/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;/h9-21H,5-8H2,1-4H3;1H2/q+1;/p-1",C27H33N2.HO,,,,,,VKIIBBWZXCYECI-UHFFFAOYSA-M,,,,,,,,,,,
100.092.208,301-474-4,94021-83-7,2-ethylundecyl propionate,2-ethylundecyl propionate,CCCCCCCCCC(CC)COC(=O)CC,CCCCCCCCCC(CC)COC(=O)CC,"InChI=1/C16H32O2/c1-4-7-8-9-10-11-12-13-15(5-2)14-18-16(17)6-3/h15H,4-14H2,1-3H3",C16H32O2,,,,,,SMKJYIUVCPXQHB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.211,301-478-6,94021-86-0,"1,4-diamino-9,10-dihydroanthracene-9,10-diol","1,4-diamino-9,10-dihydroanthracene-9,10-diol",Nc1ccc(N)c2C(O)c3ccccc3C(O)c12,Nc1ccc(N)c2C(O)c3ccccc3C(O)c12,"InChI=1/C14H14N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,13-14,17-18H,15-16H2",C14H14N2O2,,,,,,BRWUPFWYFPEOMA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.220,301-488-0,94021-96-2,"3,7-dimethyloct-6-enyl 2-ethylbutyrate","3,7-dimethyloct-6-en-1-yl 2-ethylbutanoate",CCC(CC)C(=O)OCCC(C)CCC=C(C)C,CCC(CC)C(=O)OCCC(C)CCC=C(C)C,"InChI=1/C16H30O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h9,14-15H,6-8,10-12H2,1-5H3",C16H30O2,,,,,,RXKQGAANQROMQG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.704,276-698-8,72496-85-6,Trisodium 5-[[2-amino-4-[[4-[2-(4-nitro-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]azo]phenyl]azo]naphthalene-1-sulphonate,trisodium 5-{[2-amino-4-({4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}diazenyl)phenyl]diazenyl}naphthalene-1-sulfonate,[Na+].[Na+].[Na+].[O-][N+](=O)c5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc4ccc(N=Nc3cccc2c3cccc2S([O-])(=O)=O)c(N)c4)c(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-][N+](=O)c5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc4ccc(N=Nc3cccc2c3cccc2S([O-])(=O)=O)c(N)c4)c(c5)S([O-])(=O)=O,"InChI=1/C30H22N6O11S3.3Na/c31-25-15-20(12-14-27(25)35-34-26-5-1-4-24-23(26)3-2-6-28(24)48(39,40)41)32-33-21-11-9-18(29(16-21)49(42,43)44)7-8-19-10-13-22(36(37)38)17-30(19)50(45,46)47;;;/h1-17H,31H2,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C30H22N6O11S3.3Na,,,,,,CQWPGUHATDOMSA-QESRTQCZSA-K,,,,,,,,,,,
100.078.298,286-158-3,85187-70-8,"Potassium sodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","potassium sodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[K+].OCCNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCCO)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[K+].OCCNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCCO)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C36H36N12O8S2.K.Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2",C36H36N12O8S2.xK.xNa,,,,,,BMDXUVOQVCRLAN-YHPRVSEPSA-L,,,,,,,,,,,
100.078.301,286-162-5,85187-74-2,"Sodium 4,4'-bis[[6-anilino-4-(methylamino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-{[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]amino}benzenesulfonate)",[Na+].[Na+].CNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].CNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C34H32N12O6S2.2Na/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46);;/q;2*+1/p-2",C34H32N12O6S2.xNa,,,,,,KQIXHGNMGGYJAC-QDBORUFSSA-L,,,,,,,,,,,
100.078.308,286-169-3,85187-81-1,2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium methyl sulphate,2-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}-1-ethylbenzo[cd]indolium methyl sulfate,CCOc1ccc(cc1)N(C)c2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45.COS(=O)(=O)[O-],CCOc1ccc(cc1)N(C)c2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45.COS(=O)(=O)[O-],"InChI=1/C28H27N2O.CH4O4S/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;1-5-6(2,3)4/h6-19H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C28H27N2O.CH3O4S,,,,,,NWIMVKUKXLMMOZ-UHFFFAOYSA-M,,,,,,,,,,,
100.078.310,286-171-4,85187-83-3,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium hydrogen oxalate","2-[(4-methoxybenzyl)carbonohydrazonoyl]-1,3,3-trimethyl-3H-indolium hydrogen oxalate",[H+].[O-]C(=O)C([O-])=O.COc1ccc(cc1)CNN=C\\C3=[N+](/C)c2ccccc2C3(C)C,[H+].[O-]C(=O)C([O-])=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H23N3O.C2H2O4.H2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;3-1(4)2(5)6;/h5-12,14H,13H2,1-4H3;(H,3,4)(H,5,6);1H/q;;+1/p-1",C20H24N3O.C2HO4,,,,,,PHYFCAJASOJAJM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.318,286-180-3,85187-91-3,"[2-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium methyl sulphate","2-[{4-[(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium methyl sulfate",Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S(=O)(=O)OC,Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S(=O)(=O)OC,"InChI=1/C19H24Br2N5O2.CH4O4S/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5-6(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C19H24Br2N5O2.CH3O4S,,,,,,GQLKZUHALODMQA-UHFFFAOYSA-M,,,,,,,,,,,
100.078.322,286-185-0,85187-95-7,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium acetate,"2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium acetate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]C(C)=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]C(C)=O,"InChI=1/C19H25ClN5O2.C2H4O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;1-2(3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C19H25ClN5O2.C2H3O2,,,,,,ICJCWNOPJWXPER-UHFFFAOYSA-M,,,,,,,,,,,
100.090.064,299-118-5,93856-84-9,Methylthiourea monohydroiodide,1-methylthiourea hydroiodide,I.CNC(=S)N,I.CNC(=S)N,"InChI=1/C2H6N2S.HI/c1-4-2(3)5;/h1H3,(H3,3,4,5);1H",C2H6N2S.HI,,,,,,BWKQVWQYYSAKHC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.065,299-119-0,93856-85-0,"1,2-dimethyl-5-nitro-1H-imidazolium methanesulphonate","2,3-dimethyl-4-nitro-1H-imidazol-3-ium methanesulfonate",Cc1[nH]cc([N+](=O)[O-])[n+]1C.CS(=O)(=O)[O-],Cc1[nH]cc([N+](=O)[O-])[n+]1C.CS(=O)(=O)[O-],"InChI=1/C5H7N3O2.CH4O3S/c1-4-6-3-5(7(4)2)8(9)10;1-5(2,3)4/h3H,1-2H3;1H3,(H,2,3,4)",C5H7N3O2.CH4O3S,,,,,,FKWSWLFYXRLGRR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.155,299-217-3,93857-84-2,"3-allyl-2-[[4,5-diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene]methyl]-5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxothiazolium","4-[2-({3-allyl-5-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-4-oxo-4,5-dihydro-1,3-thiazol-3-ium-2-yl}methylene)-4,5-diphenyl-1,3-thiazol-3(2H)-yl]butane-1-sulfonate",[O-]S(=O)(=O)CCCCN5C(\\c1ccccc1)=C(/SC5=CC=4SC(=CC=C3Sc2ccccc2N3CC)C(=O)[N+]=4CC=C)c6ccccc6,[O-]S(=O)(=O)CCCCN5C(\c1ccccc1)=C(/SC5=CC=4SC(=CC=C3Sc2ccccc2N3CC)C(=O)[N+]=4CC=C)c6ccccc6,"InChI=1/C37H35N3O4S4/c1-3-23-40-34(46-31(37(40)41)21-22-32-38(4-2)29-19-11-12-20-30(29)45-32)26-33-39(24-13-14-25-48(42,43)44)35(27-15-7-5-8-16-27)36(47-33)28-17-9-6-10-18-28/h3,5-12,15-22,26H,1,4,13-14,23-25H2,2H3",C37H35N3O4S4,,,,,,GWKKNZAGOAPRDB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.165,299-228-3,93857-94-4,2-phenylpropyl 2-butenoate,2-phenylpropyl but-2-enoate,CC=CC(=O)OCC(C)c1ccccc1,CC=CC(=O)OCC(C)c1ccccc1,"InChI=1/C13H16O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h3-9,11H,10H2,1-2H3",C13H16O2,,,,,,LQWSYJWVIVLBFG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.172,299-236-7,93858-01-6,2-methylpentyl methacrylate,2-methylpentyl methacrylate,CCCC(C)COC(=O)C(=C)C,CCCC(C)COC(=O)C(=C)C,"InChI=1/C10H18O2/c1-5-6-9(4)7-12-10(11)8(2)3/h9H,2,5-7H2,1,3-4H3",C10H18O2,,,,,,GDQZDVVGPJKEKV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.173,299-237-2,93858-02-7,"Ethyl dihydrogen phosphate, compound with guanidine (1:1)",ethyl dihydrogen phosphate - guanidine (1:1),N=C(N)N.OP(=O)(O)OCC,N=C(N)N.OP(=O)(O)OCC,"InChI=1/C2H7O4P.CH5N3/c1-2-6-7(3,4)5;2-1(3)4/h2H2,1H3,(H2,3,4,5);(H5,2,3,4)",C2H7O4P.CH5N3,,,,,,UQRLIPXRQBVSBI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.176,299-240-9,93858-05-0,"N,N'-(9,10-dihydro-2-nitro-9,10-dioxo-1,4-anthracenediyl)bisacetamide","N,N'-(2-nitro-9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)diacetamide",CC(=O)Nc1cc(c(NC(=O)C)c2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-],CC(=O)Nc1cc(c(NC(=O)C)c2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-],"InChI=1/C18H13N3O6/c1-8(22)19-12-7-13(21(26)27)16(20-9(2)23)15-14(12)17(24)10-5-3-4-6-11(10)18(15)25/h3-7H,1-2H3,(H,19,22)(H,20,23)",C18H13N3O6,,,,,,PRXIYLQUHGYOSN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.183,299-248-2,93858-16-3,"N,N'-(iminodiethylene)bisdocosanamide","N,N'-(iminodiethane-2,1-diyl)didocosanamide",CCCCCCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C48H97N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(52)50-45-43-49-44-46-51-48(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49H,3-46H2,1-2H3,(H,50,52)(H,51,53)",C48H97N3O2,,,,,,LCXDVRRNNYKJBW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.055,301-307-5,93983-18-7,"2-ethyl-2-[[2-(hydroxymethyl)butoxy]methyl]propane-1,3-diol","2-ethyl-2-{[2-(hydroxymethyl)butoxy]methyl}propane-1,3-diol",CCC(CO)COCC(CC)(CO)CO,CCC(CO)COCC(CC)(CO)CO,"InChI=1/C11H24O4/c1-3-10(5-12)6-15-9-11(4-2,7-13)8-14/h10,12-14H,3-9H2,1-2H3",C11H24O4,,,,,,JCEBUJBSXYPWSN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.058,301-310-1,93983-21-2,"2-ethyl-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)butoxy]methyl]butoxy]methyl]propane-1,3-diol","2-ethyl-2-{[2-(hydroxymethyl)-2-{[2-(hydroxymethyl)butoxy]methyl}butoxy]methyl}propane-1,3-diol",CCC(CO)COCC(CC)(CO)COCC(CC)(CO)CO,CCC(CO)COCC(CC)(CO)COCC(CC)(CO)CO,"InChI=1/C17H36O6/c1-4-15(7-18)8-22-13-17(6-3,11-21)14-23-12-16(5-2,9-19)10-20/h15,18-21H,4-14H2,1-3H3",C17H36O6,,,,,,PRLKHYMOWYNKPG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.061,301-313-8,93983-24-5,"5-[(hydroxymethoxy)methyl]-1,3-dioxane-5-methanol","{5-[(hydroxymethoxy)methyl]-1,3-dioxan-5-yl}methanol",OCOCC1(CO)COCOC1,OCOCC1(CO)COCOC1,"InChI=1/C7H14O5/c8-1-7(2-10-5-9)3-11-6-12-4-7/h8-9H,1-6H2",C7H14O5,,,,,,DKNIFLGCIMSZGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.086,301-341-0,94006-05-0,"Ethyl N-[(3a,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate","ethyl N-(3,7,12-trihydroxy-24-oxocholan-24-yl)glycinate",CCOC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CCOC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1/C28H47NO6/c1-5-35-25(34)15-29-24(33)9-6-16(2)19-7-8-20-26-21(14-23(32)28(19,20)4)27(3)11-10-18(30)12-17(27)13-22(26)31/h16-23,26,30-32H,5-15H2,1-4H3,(H,29,33)",C28H47NO6,,,,,,IUMZSPQFQUFAHS-CWDNZPLVSA-N,,,,,,,,,,,
100.088.983,297-927-8,93776-02-4,"1,1'-[oxybis(propyleneoxy)]bis[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol]","1,1'-[oxybis(propane-2,1-diyloxy)]bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol)",CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CC(COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C28H24F34O5/c1-9(5-65-7-11(63)3-13(29,30)15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59)67-10(2)6-66-8-12(64)4-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62/h9-12,63-64H,3-8H2,1-2H3",C28H24F34O5,,,,,,NNSKOCZMIOWJNF-UHFFFAOYSA-N,,,,,,,,,,,
100.088.989,297-934-6,93776-08-0,"33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,40-heptadecafluoro-2,5,8,11,14,17,20,23,26,29-decoxatetracontan-31-ol","33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,40-heptadecafluoro-2,5,8,11,14,17,20,23,26,29-decaoxatetracontan-31-ol",COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C30H45F17O11/c1-49-2-3-50-4-5-51-6-7-52-8-9-53-10-11-54-12-13-55-14-15-56-16-17-57-18-19-58-21-22(48)20-23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)47/h22,48H,2-21H2,1H3",C30H45F17O11,,,,,,WEOGRPHIYDSCLF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.606,300-812-8,93963-68-9,Ethyldimethyl(octadecyl)ammonium ethyl phosphonate,"N-ethyl-N,N-dimethyloctadecan-1-aminium ethyl phosphonate",CCCCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOP(=O)[O-],CCCCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOP(=O)[O-],"InChI=1/C22H48N.C2H7O3P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;1-2-5-6(3)4/h5-22H2,1-4H3;6H,2H2,1H3,(H,3,4)/q+1;/p-1",C22H48N.C2H6O3P,,,,,,WKDOYEWYDCHIHW-UHFFFAOYSA-M,,,,,,,,,,,
100.092.471,301-764-0,94042-96-3,"3,5-bis(1,1-dimethylethyl)-N,N-diethylaniline","3,5-di-tert-butyl-N,N-diethylaniline",CCN(CC)c1cc(cc(c1)C(C)(C)C)C(C)(C)C,CCN(CC)c1cc(cc(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H31N/c1-9-19(10-2)16-12-14(17(3,4)5)11-15(13-16)18(6,7)8/h11-13H,9-10H2,1-8H3",C18H31N,,,,,,HERJOAJMXZQYDO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.492,301-787-6,94070-87-8,N-icosyl-D-gluconamide,"2,3,4,5,6-pentahydroxy-N-icosylhexanamide (non-preferred name)",CCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C26H53NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-26(33)25(32)24(31)23(30)22(29)21-28/h22-25,28-32H,2-21H2,1H3,(H,27,33)",C26H53NO6,,,,,,ZKRPDBYWAWVRTB-ZKGSSEMHSA-N,,,,,,,,,,,
100.092.493,301-788-1,94070-88-9,N-hexadec-7-en-1-yl-D-gluconamide,"N-hexadec-7-en-1-yl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",O[C@H]([C@@H](O)C(=O)NCCCCCCC=CCCCCCCCC)[C@H](O)[C@H](O)CO,O[C@H]([C@@H](O)C(=O)NCCCCCCC=CCCCCCCCC)[C@H](O)[C@H](O)CO,"InChI=1/C22H43NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-22(29)21(28)20(27)19(26)18(25)17-24/h9-10,18-21,24-28H,2-8,11-17H2,1H3,(H,23,29)",C22H43NO6,,,,,,QEUIGPGHVGGFQM-MXEMCNAFSA-N,,,,,,,,,,,
100.092.494,301-789-7,94070-90-3,"Ethyl (Z,Z)-ethyl(methyl)[3-[(1-oxo-9-octadecenyl)amino]propyl][3-[(1-oxo-9-octadecenyl)amino]propyl]ammonium sulphate",N-ethyl-N-methyl-3-(oleoylamino)-N-[3-(oleoylamino)propyl]propan-1-aminium ethyl sulfate,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCC[N+](C)(CC)CCCNC(=O)CCCCCCC\\C=C/CCCCCCCC.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(CC)CCCNC(=O)CCCCCCC\C=C/CCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1/C45H87N3O2.C2H6O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-44(49)46-40-36-42-48(4,7-3)43-37-41-47-45(50)39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-2-6-7(3,4)5/h20-23H,5-19,24-43H2,1-4H3,(H-,46,47,49,50);2H2,1H3,(H,3,4,5)",C45H88N3O2.C2H5O4S,,,,,,JVGDJSIDYJEIRF-LQDDAWAPSA-N,,,,,,,,,,,
100.078.006,285-837-1,85153-55-5,"1-(1,1-diethoxyethoxy)butane","1-(1,1-diethoxyethoxy)butane",CCCCOC(C)(OCC)OCC,CCCCOC(C)(OCC)OCC,"InChI=1/C10H22O3/c1-5-8-9-13-10(4,11-6-2)12-7-3/h5-9H2,1-4H3",C10H22O3,,,,,,URMLVTZNCGXLNB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.008,285-839-2,85153-57-7,"1-phenylethyl 2,2-dichloroacetoacetate",1-phenylethyl 4-chloro-2-(chloroacetyl)-3-oxobutanoate,CC(OC(=O)C(C(=O)CCl)C(=O)CCl)c1ccccc1,CC(OC(=O)C(C(=O)CCl)C(=O)CCl)c1ccccc1,"InChI=1/C14H14Cl2O4/c1-9(10-5-3-2-4-6-10)20-14(19)13(11(17)7-15)12(18)8-16/h2-6,9,13H,7-8H2,1H3",C12H12Cl2O3,,,,,,NRLNBCXCKVMYHU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.010,285-841-3,85153-59-9,Butyl 3-methylisoxazole-5-carboxylate,butyl 3-methylisoxazole-5-carboxylate,CCCCOC(=O)c1onc(C)c1,CCCCOC(=O)c1onc(C)c1,"InChI=1/C9H13NO3/c1-3-4-5-12-9(11)8-6-7(2)10-13-8/h6H,3-5H2,1-2H3",C9H13NO3,,,,,,HTRHSZZDBULAMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.013,285-845-5,85153-62-4,"3,3-bis(methylthio)butan-2-one","3,3-bis(methylsulfanyl)butan-2-one",CSC(C)(SC)C(=O)C,CSC(C)(SC)C(=O)C,"InChI=1/C6H12OS2/c1-5(7)6(2,8-3)9-4/h1-4H3",C6H12OS2,,,,,,SCVYHLNMCZVKKU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.016,285-848-1,85153-65-7,Methyl 3-ethoxy-2-butenoate,methyl 3-ethoxybut-2-enoate,O=C(OC)C=C(C)OCC,O=C(OC)C=C(C)OCC,"InChI=1/C7H12O3/c1-4-10-6(2)5-7(8)9-3/h5H,4H2,1-3H3",C7H12O3,,,,,,ORXGGVRQTQZUJW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.017,285-849-7,85153-66-8,1-phenylethyl 2-acetylacetoacetate,1-phenylethyl 2-acetyl-3-oxobutanoate,CC(OC(=O)C(C(=O)C)C(=O)C)c1ccccc1,CC(OC(=O)C(C(=O)C)C(=O)C)c1ccccc1,"InChI=1/C14H16O4/c1-9(15)13(10(2)16)14(17)18-11(3)12-7-5-4-6-8-12/h4-8,11,13H,1-3H3",C14H16O4,,,,,,ZXBGGHFUQBYYGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.030,285-863-3,85153-79-3,"5-oxo-L-proline, compound with DL-methionine (1:1)",5-oxo-L-proline - L-methionine (1:1),CSCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,CSCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C5H11NO2S/c7-4-2-1-3(6-4)5(8)9;1-9-3-2-4(6)5(7)8/h3H,1-2H2,(H,6,7)(H,8,9);4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2S.C5H7NO3,,,,,,JRRDLLMFFHGUGJ-ZATYTLRZSA-N,,,,,,,,,,,
100.078.040,285-874-3,85153-89-5,"(5a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one hydrobromide","3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one hydrobromide",Br.COc1ccc2C[C@@H]3[C@@H]4C=CC(=O)[C@@H]5Oc1c2[C@]45CCN3C,Br.COc1ccc2C[C@@H]3[C@@H]4C=CC(=O)[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H19NO3.BrH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-12,17H,7-9H2,1-2H3;1H",C18H19NO3.BrH,,,,,,JZQDJEYFELXOQJ-RNWHKREASA-N,,,,,,,,,,,
100.078.042,285-876-4,85153-91-9,"6,7-didehydro-3,6-dimethoxy-17-methylmorphinan-4-ol","3,6-dimethoxy-17-methyl-6,7-didehydromorphinan-4-ol",COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)C1,COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)C1,"InChI=1/C19H25NO3/c1-20-9-8-19-11-13(22-2)5-6-14(19)15(20)10-12-4-7-16(23-3)18(21)17(12)19/h4-5,7,14-15,21H,6,8-11H2,1-3H3",C19H25NO3,,,,,,FABLLHVODMNOPU-KHYOSLBOSA-N,,,,,,,,,,,
100.092.223,301-491-7,94021-99-5,"2,2'-[butylidenebis(oxymethylene)]bisfuran","2,2'-[butane-1,1-diylbis(oxymethylene)]difuran",CCCC(OCc1occc1)OCc2occc2,CCCC(OCc1occc1)OCc2occc2,"InChI=1/C14H18O4/c1-2-5-14(17-10-12-6-3-8-15-12)18-11-13-7-4-9-16-13/h3-4,6-9,14H,2,5,10-11H2,1H3",C14H18O4,,,,,,IQTWUJXJPBSQDG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.229,301-498-5,94022-05-6,"3-(1,1-dimethylethyl)-7,12-dioxaspiro[5.6]dodecane","3-tert-butyl-7,12-dioxaspiro[5.6]dodecane",CC(C)(C)C1CCC2(CC1)OCCCCO2,CC(C)(C)C1CCC2(CC1)OCCCCO2,"InChI=1/C14H26O2/c1-13(2,3)12-6-8-14(9-7-12)15-10-4-5-11-16-14/h12H,4-11H2,1-3H3",C14H26O2,,,,,,OLMWBJRNJLFQDE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.231,301-500-4,94022-07-8,"(R)-1,5-dimethyl-1-vinylhex-4-enyl isobutyrate","1,5-dimethyl-1-vinylhex-4-en-1-yl 2-methylpropanoate",CC(C)C(=O)O[C@](C)(CCC=C(C)C)C=C,CC(C)C(=O)O[C@](C)(CCC=C(C)C)C=C,"InChI=1/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3",C14H24O2,,,,,,JZIARAQCPRDGAC-AWEZNQCLSA-N,,,,,,,,,,,
100.092.235,301-505-1,94022-11-4,2-[2-(nonylphenoxy)ethoxy]ethyl palmitate,2-[2-(2-nonylphenoxy)ethoxy]ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCOCCOc1ccccc1CCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCCOCCOc1ccccc1CCCCCCCCC,"InChI=1/C35H62O4/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-28-35(36)39-32-30-37-29-31-38-34-27-24-23-26-33(34)25-21-19-17-10-8-6-4-2/h23-24,26-27H,3-22,25,28-32H2,1-2H3",C35H62O4,,,,,,KBZILBKIQHLSTK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.237,301-507-2,94022-13-6,2-[2-(nonylphenoxy)ethoxy]ethyl oleate,2-[2-(2-nonylphenoxy)ethoxy]ethyl octadec-9-enoate,CCCCCCCCCc1ccccc1OCCOCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCc1ccccc1OCCOCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C37H64O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-30-37(38)41-34-32-39-31-33-40-36-29-26-25-28-35(36)27-23-21-19-10-8-6-4-2/h14-15,25-26,28-29H,3-13,16-24,27,30-34H2,1-2H3",C37H64O4,,,,,,NFQWKIBNXQKIOA-PFONDFGASA-N,,,,,,,,,,,
100.092.241,301-511-4,94022-17-0,"N-[2-[2-(13-henicosen-1-yl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine","N-[2-(2-henicos-13-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCC=CCCCCCCCCCCCC\\C1=N\\CCN1CCNCCN,CCCCCCCC=CCCCCCCCCCCCC\C1=N\CCN1CCNCCN,"InChI=1/C28H56N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-31-25-27-32(28)26-24-30-23-22-29/h8-9,30H,2-7,10-27,29H2,1H3",C28H56N4,,,,,,FHSANRAQFHKSOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.244,301-515-6,94022-20-5,"2,4-dicyclopentyl-6-isopropyl-m-cresol","2,4-dicyclopentyl-6-isopropyl-3-methylphenol",CC(C)c1cc(C2CCCC2)c(C)c(C3CCCC3)c1O,CC(C)c1cc(C2CCCC2)c(C)c(C3CCCC3)c1O,"InChI=1/C20H30O/c1-13(2)17-12-18(15-8-4-5-9-15)14(3)19(20(17)21)16-10-6-7-11-16/h12-13,15-16,21H,4-11H2,1-3H3",C20H30O,,,,,,VOPQGBODWYLZQY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.245,301-516-1,94022-21-6,2-cyclopentyl-6-isopropyl-m-cresol,2-cyclopentyl-6-isopropyl-3-methylphenol,CC(C)c1ccc(C)c(C2CCCC2)c1O,CC(C)c1ccc(C)c(C2CCCC2)c1O,"InChI=1/C15H22O/c1-10(2)13-9-8-11(3)14(15(13)16)12-6-4-5-7-12/h8-10,12,16H,4-7H2,1-3H3",C15H22O,,,,,,YWRSZHDUSLTMCV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.499,300-694-8,93962-58-4,3-allyl-2-thioxooxazolidin-4-one,"3-allyl-2-thioxo-1,3-oxazolidin-4-one",C=CCN1C(=O)COC1=S,C=CCN1C(=O)COC1=S,"InChI=1/C6H7NO2S/c1-2-3-7-5(8)4-9-6(7)10/h2H,1,3-4H2",C6H7NO2S,,,,,,JXKVDYIOQSBMQG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.752,302-074-2,94088-72-9,N-(2-hydroxyethyl)-5-isobutyl-3-methoxysalicylamide,2-hydroxy-N-(2-hydroxyethyl)-5-isobutyl-3-methoxybenzamide,COc1cc(CC(C)C)cc(C(=O)NCCO)c1O,COc1cc(CC(C)C)cc(C(=O)NCCO)c1O,"InChI=1/C14H21NO4/c1-9(2)6-10-7-11(14(18)15-4-5-16)13(17)12(8-10)19-3/h7-9,16-17H,4-6H2,1-3H3,(H,15,18)",C14H21NO4,,,,,,DDAWESDWNNSGLI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.753,302-075-8,94088-73-0,"6-nitro-5H-dibenzo[a,c]cycloheptene-5,7(6H)-dione","6-nitro-5H-dibenzo[a,c][7]annulene-5,7(6H)-dione",[O-][N+](=O)C1C(=O)c2ccccc2c3ccccc3C1=O,[O-][N+](=O)C1C(=O)c2ccccc2c3ccccc3C1=O,"InChI=1/C15H9NO4/c17-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15(18)13(14)16(19)20/h1-8,13H",C15H9NO4,,,,,,NKKHMOVEDDICJL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.755,302-077-9,94088-75-2,"S-benzothiazol-2-yl 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate","S-1,3-benzothiazol-2-yl (2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate",Nc1scc(n1)C(=NOC)C(=O)Sc2nc3ccccc3s2,Nc1scc(n1)C(=NOC)C(=O)Sc2nc3ccccc3s2,"InChI=1/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)",C13H10N4O2S3,,,,,,COFDRZLHVALCDU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.756,302-078-4,94088-76-3,(3-aminopropyl)carbamic acid,(3-aminopropyl)carbamic acid,NCCCNC(=O)O,NCCCNC(=O)O,"InChI=1/C4H10N2O2/c5-2-1-3-6-4(7)8/h6H,1-3,5H2,(H,7,8)",C4H10N2O2,,,,,,JLZOGLJEROCEQF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.761,302-084-7,94088-81-0,5-amino-2-[(methylsulphonyl)oxy]benzoic acid hydrochloride,5-amino-2-[(methylsulfonyl)oxy]benzoic acid hydrochloride,Cl.CS(=O)(=O)Oc1ccc(N)cc1C(=O)O,Cl.CS(=O)(=O)Oc1ccc(N)cc1C(=O)O,"InChI=1/C8H9NO5S.ClH/c1-15(12,13)14-7-3-2-5(9)4-6(7)8(10)11;/h2-4H,9H2,1H3,(H,10,11);1H",C8H9NO5S.ClH,,,,,,PGARGKIVTZUQEU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.323,286-186-6,85187-96-8,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium sulphate,"bis(N-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-2-hydroxy-N,N-dimethylpropan-1-aminium) sulfate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S([O-])(=O)=O.CC(O)C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S([O-])(=O)=O.CC(O)C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+]([O-])=O,"InChI=1/2C21H29ClN5O3.H2O4S/c2*1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5(2,3)4/h2*6-11,14,16,28H,5,12-13,15H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C21H29ClN5O3.1/2O4S,,,,,,UUCHDBLMLHGFNC-UHFFFAOYSA-L,,,,,,,,,,,
100.078.325,286-188-7,85187-98-0,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium dihydrogen phosphate,"N-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-2-hydroxy-N,N-dimethylpropan-1-aminium dihydrogen phosphate",[H+].[H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]P([O-])([O-])=O,[H+].[H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]P([O-])([O-])=O,"InChI=1/C21H29ClN5O3.H3O4P.2H2/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5(2,3)4;;/h6-11,14,16,28H,5,12-13,15H2,1-4H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3",C21H29ClN5O3.H2O4P,,,,,,GUQQXIYHBBBEDA-UHFFFAOYSA-M,,,,,,,,,,,
100.078.327,286-190-8,85188-00-7,"Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium phosphate (1:1)",-,CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3.[O-]P(=O)([O-])[O-],CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3.[O-]P(=O)([O-])[O-],"InChI=1/C23H25N2.H3O4P/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;1-5(2,3)4/h5-17H,1-4H3;(H3,1,2,3,4)/q+1;/p-3",C23H25N2.H2O4P,,,,,,CITSTZWAAIRKGY-UHFFFAOYSA-K,,,,,,,,,,,
100.078.329,286-192-9,85188-02-9,"Bis(4-[(4-amino-m-tolyl)(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methyl]-o-toluidine) sulphate","4,4'-[(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline) sulfate (2:1)",CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N.CC4=CC(=C(c5ccc(N)c(C)c5)c6ccc(N)c(C)c6)C=CC4=N.OS(=O)(=O)O,CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N.CC4=CC(=C(c5ccc(N)c(C)c5)c6ccc(N)c(C)c6)C=CC4=N.OS(=O)(=O)O,"InChI=1/2C22H23N3.H2O4S/c2*1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5(2,3)4/h2*4-12,23H,24-25H2,1-3H3;(H2,1,2,3,4)",C22H23N3.1/2H2O4S,,,,,,RYIDLCVNCSFERI-UHFFFAOYSA-N,,,,,,,,,,,
100.078.352,286-217-3,85188-28-9,"Sodium [(2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinolin-6-yl)amino]toluenesulphonate","sodium 2-methyl-6-[(3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]benzenesulfonate",[Na+].CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5cccc(C)c5S(=O)(=O)[O-])ccc1c24,[Na+].CN1C(=O)C=C2c3ccccc3C(=O)c4c(Nc5cccc(C)c5S(=O)(=O)[O-])ccc1c24,"InChI=1/C24H18N2O5S.Na/c1-13-6-5-9-18(24(13)32(29,30)31)25-17-10-11-19-21-16(12-20(27)26(19)2)14-7-3-4-8-15(14)23(28)22(17)21;/h3-12,25H,1-2H3,(H,29,30,31);/q;+1/p-1",C24H18N2O5S.Na,,,,,,UPENJLFBEJXYNI-UHFFFAOYSA-M,,,,,,,,,,,
100.090.070,299-124-8,93856-90-7,2-ammonioethyl L-arginine phosphate,-,N[C@@H](CCCNC(=N)N)C(=O)O.[NH3+]CCOP(=O)([O-])[O-],N[C@@H](CCCNC(=N)N)C(=O)O.[NH3+]CCOP(=O)([O-])[O-],"InChI=1/C6H14N4O2.C2H8NO4P/c7-4(5(11)12)2-1-3-10-6(8)9;3-1-2-7-8(4,5)6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-3H2,(H2,4,5,6)/p-1",C6H14N4O2.C2H8NO4P,,,,,,KPUSLFZICUAWHG-WCCKRBBISA-M,,,,,,,,,,,
100.090.075,299-130-0,93856-95-2,"2,3,3-trichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acrylamide","2,3,3-trichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acrylamide",OCC(NC(=O)C(=C(Cl)Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],OCC(NC(=O)C(=C(Cl)Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C12H11Cl3N2O5/c13-9(11(14)15)12(20)16-8(5-18)10(19)6-1-3-7(4-2-6)17(21)22/h1-4,8,10,18-19H,5H2,(H,16,20)",C12H11Cl3N2O5,,,,,,BYMMCVVSJVRBBG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.077,299-132-1,93856-97-4,Allyl 4-chloro-2-(allyloxy)benzoate,allyl 2-(allyloxy)-4-chlorobenzoate,Clc1ccc(C(=O)OCC=C)c(OCC=C)c1,Clc1ccc(C(=O)OCC=C)c(OCC=C)c1,"InChI=1/C13H13ClO3/c1-3-7-16-12-9-10(14)5-6-11(12)13(15)17-8-4-2/h3-6,9H,1-2,7-8H2",C13H13ClO3,,,,,,GJCTZTYNZHADNP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.078,299-133-7,93856-98-5,4-chloro-2-propylpyridine,4-chloro-2-propylpyridine,CCCc1cc(Cl)ccn1,CCCc1cc(Cl)ccn1,"InChI=1/C8H10ClN/c1-2-3-8-6-7(9)4-5-10-8/h4-6H,2-3H2,1H3",C8H10ClN,,,,,,XACBIHLRDPQCGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.081,299-136-3,93857-01-3,Tripotassium ethylsilanetriolate,tripotassium ethylsilanetriolate,[K+].[K+].[K+].CC[Si]([O-])([O-])[O-],[K+].[K+].[K+].CC[Si]([O-])([O-])[O-],"InChI=1/C2H5O3Si.3K/c1-2-6(3,4)5;;;/h2H2,1H3;;;/q-3;3*+1",C2H8O3Si.3K,,,,,,DGHRGESTFRMGJX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.086,299-142-6,93857-08-0,[2-[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]-2-oxoethyl]trimethylammonium chloride,"2-{[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino}-N,N,N-trimethyl-2-oxoethanaminium chloride",[Cl-].C[N+](C)(C)CC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],[Cl-].C[N+](C)(C)CC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C14H21N3O5.ClH/c1-17(2,3)8-13(19)15-12(9-18)14(20)10-4-6-11(7-5-10)16(21)22;/h4-7,12,14,18,20H,8-9H2,1-3H3;1H",C14H22N3O5.Cl,,,,,,RPUBORWQSLGALI-UHFFFAOYSA-N,,,,,,,,,,,
100.088.992,297-937-2,93776-11-5,"33,33,34,34,35,35,36,36,37,37,38,38,39,40,40,40-hexadecafluoro-39-(trifluoromethyl)-2,5,8,11,14,17,20,23,26,29-decaoxatetracontan-31-ol","33,33,34,34,35,35,36,36,37,37,38,38,39,40,40,40-hexadecafluoro-39-(trifluoromethyl)-2,5,8,11,14,17,20,23,26,29-decaoxatetracontan-31-ol",COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C31H45F19O11/c1-52-2-3-53-4-5-54-6-7-55-8-9-56-10-11-57-12-13-58-14-15-59-16-17-60-18-19-61-21-22(51)20-23(32,33)25(35,36)27(39,40)29(43,44)28(41,42)26(37,38)24(34,30(45,46)47)31(48,49)50/h22,51H,2-21H2,1H3",C31H45F19O11,,,,,,XTGCLCQOUPEKCR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.193,299-259-2,93858-27-6,"5-amino-8-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid","5-amino-8-{[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonic acid",Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1cccc(c1C(=O)c23)S(O)(=O)=O)S(O)(=O)=O)cc4)c(c5)S(O)(=O)=O)nc(Cl)n6,Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1cccc(c1C(=O)c23)S(O)(=O)=O)S(O)(=O)=O)cc4)c(c5)S(O)(=O)=O)nc(Cl)n6,"InChI=1/C29H18Cl2N8O11S3/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)26(41)21-15(25(23)40)2-1-3-18(21)51(42,43)44/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37)",C29H18Cl2N8O11S3,,,,,,OMZQIIHBHRKEEK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.199,299-266-0,93858-33-4,"(8Z,9Z,11Z,12Z)-N-[2-[4,5-dihydro-2-(heptadeca-8,11-dienyl)-1H-imidazol-1-yl]ethyl]octadeca-9,12-dien-1-amide","N-[2-(2-heptadeca-8,11-dien-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]octadeca-9,12-dienamide",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)NCCN1CC\\N=C1\\CCCCCCCC=CCC=CCCCCC,CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCN1CC\N=C1\CCCCCCCC=CCC=CCCCCC,"InChI=1/C40H71N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-38H2,1-2H3,(H,42,44)",C40H71N3O,,,,,,NXSQZADJSPOQCO-SKDHIRIWSA-N,,,,,,,,,,,
100.090.207,299-274-4,93858-44-7,2-hydroxy-3-[3-(trimethoxysilyl)propoxy]propyl acrylate,2-hydroxy-3-[3-(trimethoxysilyl)propoxy]propyl acrylate,CO[Si](CCCOCC(O)COC(=O)C=C)(OC)OC,CO[Si](CCCOCC(O)COC(=O)C=C)(OC)OC,"InChI=1/C12H24O7Si/c1-5-12(14)19-10-11(13)9-18-7-6-8-20(15-2,16-3)17-4/h5,11,13H,1,6-10H2,2-4H3",C12H24O7Si,,,,,,HWOMYGSRBXHQLT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.209,299-277-0,93858-46-9,"Formic acid, compound with N,N-dimethyl(p-methylbenzyl)amine (1:1)","formic acid - N,N-dimethyl-1-(4-methylphenyl)methanamine (1:1)",CN(C)Cc1ccc(C)cc1.OC=O,CN(C)Cc1ccc(C)cc1.OC=O,"InChI=1/C10H15N.CH2O2/c1-9-4-6-10(7-5-9)8-11(2)3;2-1-3/h4-7H,8H2,1-3H3;1H,(H,2,3)",C9H13N.CH2O2,,,,,,JNZJMJFTPKOUEA-UHFFFAOYSA-N,,,,,,,,,,,
100.090.211,299-279-1,93858-48-1,"[3-(methacryloyloxy)-2,2-dimethylpropyl]dimethylammonium nitrate","3-(methacryloyloxy)-N,N,2,2-tetramethylpropan-1-aminium nitrate",C[NH+](C)CC(C)(C)COC(=O)C(=C)C.[O-][N+](=O)[O-],C[NH+](C)CC(C)(C)COC(=O)C(=C)C.[O-][N+](=O)[O-],"InChI=1/C11H21NO2.NO3/c1-9(2)10(13)14-8-11(3,4)7-12(5)6;2-1(3)4/h1,7-8H2,2-6H3;/q;-1/p+1",C11H21NO2.HNO3,,,,,,GUHAAXWFXIFCAJ-UHFFFAOYSA-O,,,,,,,,,,,
100.090.220,299-289-6,93858-57-2,Sodium 5-isobutylbarbiturate,"sodium 5-isobutyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CC(C)CC1C(=O)NC(=NC1=O)[O-],[Na+].CC(C)CC1C(=O)NC(=NC1=O)[O-],"InChI=1/C8H12N2O3.Na/c1-4(2)3-5-6(11)9-8(13)10-7(5)12;/h4-5H,3H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1",C8H12N2O3.Na,,,,,,FSKSUYGLNZFJEG-UHFFFAOYSA-M,,,,,,,,,,,
100.092.090,301-345-2,94006-09-4,"(-)-a-(1,2,3,4,5,6,7,8-octahydro-1-isoquinolyl)-p-cresol","4-(1,2,3,4,5,6,7,8-octahydroisoquinolin-1-ylmethyl)phenol",Oc1ccc(CC2NCCC3=C2CCCC3)cc1,Oc1ccc(CC2NCCC3=C2CCCC3)cc1,"InChI=1/C16H21NO/c18-14-7-5-12(6-8-14)11-16-15-4-2-1-3-13(15)9-10-17-16/h5-8,16-18H,1-4,9-11H2",C16H21NO,,,,,,FLPQWEDKJCCQKB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.096,301-352-0,94006-15-2,2-[(acetyl)[2-(stearoylamino)ethyl]amino]ethylacetate,4-{acetyl[2-(stearoylamino)ethyl]amino}butanoate,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCCC(=O)[O-])C(=O)C,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCCC(=O)[O-])C(=O)C,"InChI=1/C26H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25(30)27-21-23-28(24(2)29)22-18-20-26(31)32/h3-23H2,1-2H3,(H,27,30)(H,31,32)/p-1",C26H50N2O4,,,,,,LDCNIWZTHXENPX-UHFFFAOYSA-M,,,,,,,,,,,
100.092.106,301-363-0,94006-26-5,"2,2'-thiobis(benzamide)","2,2'-sulfanediyldibenzamide",NC(=O)c1ccccc1Sc2ccccc2C(=O)N,NC(=O)c1ccccc1Sc2ccccc2C(=O)N,"InChI=1/C14H12N2O2S/c15-13(17)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)",C14H12N2O2S,,,,,,VOPSSNOIPOBPFI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.114,301-371-4,94006-35-6,"2,2,2-trifluoro-N-(4-mercaptophenyl)acetamide","2,2,2-trifluoro-N-(4-sulfanylphenyl)acetamide",FC(F)(F)C(=O)Nc1ccc(S)cc1,FC(F)(F)C(=O)Nc1ccc(S)cc1,"InChI=1/C8H6F3NOS/c9-8(10,11)7(13)12-5-1-3-6(14)4-2-5/h1-4,14H,(H,12,13)",C8H6F3NOS,,,,,,WJSDFLAFDAZHPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.116,301-374-0,94006-37-8,Methyl 3-(2-methoxy-5-nitrophenyl)acrylate,methyl 3-(2-methoxy-5-nitrophenyl)acrylate,COC(=O)\\C=C\\c1cc(ccc1OC)[N+](=O)[O-],COC(=O)\C=C\c1cc(ccc1OC)[N+](=O)[O-],"InChI=1/C11H11NO5/c1-16-10-5-4-9(12(14)15)7-8(10)3-6-11(13)17-2/h3-7H,1-2H3",C11H11NO5,,,,,,OWLBJCIGCQVGCE-ZZXKWVIFSA-N,,,,,,,,,,,
100.093.131,302-492-5,94109-50-9,"Butyl 2,3-dihydroxypropyl sebacate","butyl 2,3-dihydroxypropyl sebacate",CCCCOC(=O)CCCCCCCCC(=O)OCC(O)CO,CCCCOC(=O)CCCCCCCCC(=O)OCC(O)CO,"InChI=1/C17H32O6/c1-2-3-12-22-16(20)10-8-6-4-5-7-9-11-17(21)23-14-15(19)13-18/h15,18-19H,2-14H2,1H3",C17H32O6,,,,,,OFEWUYLHIHVRFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.132,302-493-0,94109-51-0,Sodium 2-[[2-[(16-methylheptadecanoyl)oxy]propionyl]oxy]propionate,sodium 2-({2-[(16-methylheptadecanoyl)oxy]propanoyl}oxy)propanoate,[Na+].CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],[Na+].CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],"InChI=1/C24H44O6.Na/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(25)29-21(4)24(28)30-20(3)23(26)27;/h19-21H,5-18H2,1-4H3,(H,26,27);/q;+1/p-1",C24H44O6.Na,,,,,,FOSNFLMXYRQNAF-UHFFFAOYSA-M,,,,,,,,,,,
100.093.147,302-509-6,94109-69-0,"N-[(3-ethylnaphth[2,1-d]oxazol-2(3H)-ylidene)ethylidene]aniline (p-tolylsulphonate)","N-[2-(3-ethylnaphtho[2,1-d][1,3]oxazol-2(3H)-ylidene)ethylidene]aniline 4-methylbenzenesulfonate",OS(=O)(=O)c1ccc(C)cc1.CCN2c3ccc4ccccc4c3OC2=CC=Nc1ccccc1,OS(=O)(=O)c1ccc(C)cc1.CCN2c3ccc4ccccc4c3OC2=CC=Nc1ccccc1,"InChI=1/C21H18N2O.C7H8O3S/c1-2-23-19-13-12-16-8-6-7-11-18(16)21(19)24-20(23)14-15-22-17-9-4-3-5-10-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,2H2,1H3;2-5H,1H3,(H,8,9,10)",C21H18N2O.C7H8O3S,,,,,,BKRVMZRUTFTRPB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.151,302-513-8,94109-73-6,"2-[2,4-bis(tert-pentyl)phenoxy]-N-[4-[2-[(3,5-dichloro-2-hydroxy-p-tolyl)amino]-2-oxoethoxy]phenyl]butyramide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-{2-[(3,5-dichloro-2-hydroxy-4-methylphenyl)amino]-2-oxoethoxy}phenyl)butanamide",CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(OCC(=O)Nc3cc(Cl)c(C)c(Cl)c3O)cc2,CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2ccc(OCC(=O)Nc3cc(Cl)c(C)c(Cl)c3O)cc2,"InChI=1/C35H44Cl2N2O5/c1-9-28(44-29-17-12-22(34(5,6)10-2)18-25(29)35(7,8)11-3)33(42)38-23-13-15-24(16-14-23)43-20-30(40)39-27-19-26(36)21(4)31(37)32(27)41/h12-19,28,41H,9-11,20H2,1-8H3,(H,38,42)(H,39,40)",C35H44Cl2N2O5,,,,,,YISSXYXYPLFKGN-UHFFFAOYSA-N,,,,,,,,,,,
100.088.263,297-134-7,93346-52-2,Diammonium pentachloroferrate(2-),diammonium pentachloroferrate(2-),[NH4+].[NH4+].Cl[Fe-2](Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Fe-2](Cl)(Cl)(Cl)Cl,"InChI=1/5ClH.Fe.2H3N/h5*1H;;2*1H3/q;;;;;+6;;/p-3/rCl5Fe.2H3N/c1-6(2,3,4)5;;/h;2*1H3/q+1;;/p+2",Cl5Fe.2H4N,,,,,,ULXFCTLDCURNKA-UHFFFAOYSA-K,,,,,,,,,,,
100.078.047,285-882-7,85154-00-3,"Sodium 4,4'-bis[[6-anilino-4-methoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[Na+].[Na+].COc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6ccccc6)nc(OC)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].COc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(OC)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C34H30N10O8S2.2Na/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;/q;2*+1/p-2",C34H30N10O8S2.xNa,,,,,,BDYOOAPDMVGPIQ-QDBORUFSSA-L,,,,,,,,,,,
100.078.063,285-900-3,85154-19-4,2-(hexadecylmethylamino)propanol,2-[hexadecyl(methyl)amino]propan-1-ol,CCCCCCCCCCCCCCCCN(C)C(C)CO,CCCCCCCCCCCCCCCCN(C)C(C)CO,"InChI=1/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(3)20(2)19-22/h20,22H,4-19H2,1-3H3",C20H43NO,,,,,,GMIJAQKASIFZNY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.076,285-915-5,85168-74-7,"L-tryptophan, compound with 5-oxo-DL-proline (1:1)",5-oxo-L-proline - tryptophan (1:1),N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.OC(=O)[C@@H]3CCC(=O)N3,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C11H12N2O2.C5H7NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;7-4-2-1-3(6-4)5(8)9/h1-4,6,9,13H,5,12H2,(H,14,15);3H,1-2H2,(H,6,7)(H,8,9)",C11H12N2O2.C5H7NO3,,,,,,UNVNSUTYXMJECP-SCKZZFMESA-N,,,,,,,,,,,
100.093.167,302-531-6,94109-91-8,"1,1'-(octane-1,8-diyl)bis[2-amino-1,5-dihydro-4H-imidazol-4-one]","1,1'-octane-1,8-diylbis(2-amino-1,5-dihydro-4H-imidazol-4-one)",NC1=NC(=O)CN1CCCCCCCCN2CC(=O)N=C2N,NC1=NC(=O)CN1CCCCCCCCN2CC(=O)N=C2N,"InChI=1/C14H24N6O2/c15-13-17-11(21)9-19(13)7-5-3-1-2-4-6-8-20-10-12(22)18-14(20)16/h1-10H2,(H2,15,17,21)(H2,16,18,22)",C14H24N6O2,,,,,,STMUEQIOHMKRDF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.174,302-538-4,94109-98-5,(Z)-non-2-enyl propionate,non-2-en-1-yl propionate,CCCCCC\\C=C/COC(=O)CC,CCCCCC\C=C/COC(=O)CC,"InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h9-10H,3-8,11H2,1-2H3",C12H22O2,,,,,,FFZSUDLXHLWPMI-KTKRTIGZSA-N,,,,,,,,,,,
100.093.175,302-540-5,94109-99-6,(Z)-non-2-enyl butyrate,non-2-en-1-yl butyrate,CCCCCC\\C=C/COC(=O)CCC,CCCCCC\C=C/COC(=O)CCC,"InChI=1/C13H24O2/c1-3-5-6-7-8-9-10-12-15-13(14)11-4-2/h9-10H,3-8,11-12H2,1-2H3",C13H24O2,,,,,,JTZDGEKMDBKLAI-KTKRTIGZSA-N,,,,,,,,,,,
100.093.178,302-543-1,94110-04-0,11-methyldodecyl salicylate,11-methyldodecyl salicylate,CC(C)CCCCCCCCCCOC(=O)c1ccccc1O,CC(C)CCCCCCCCCCOC(=O)c1ccccc1O,"InChI=1/C20H32O3/c1-17(2)13-9-7-5-3-4-6-8-12-16-23-20(22)18-14-10-11-15-19(18)21/h10-11,14-15,17,21H,3-9,12-13,16H2,1-2H3",C20H32O3,,,,,,GJXOYLAGGXLISX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.180,302-545-2,94110-06-2,"4-(1,3-dioxo-3-phenylpropyl)-3-hydroxyphenyl benzoate, potassium salt",-,[K+].Oc1cc(OC(=O)c2ccccc2)ccc1C(=O)CC(=O)c3ccccc3,[K+].Oc1cc(OC(=O)c2ccccc2)ccc1C(=O)CC(=O)c3ccccc3,"InChI=1/C22H16O5.K/c23-19(15-7-3-1-4-8-15)14-21(25)18-12-11-17(13-20(18)24)27-22(26)16-9-5-2-6-10-16;/h1-13,24H,14H2;/q;+1",C22H16O5.K,,,,,,IJKLVIDAISTSRB-UHFFFAOYSA-N,,,,,,,,,,,
100.087.736,296-554-8,92771-38-5,"Hydrogen 5-chloro-2-[2-[[5-chloro-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(4-sulphonatobutyl)benzoxazolium, compound with triethylamine (1:1)","hydrogen 4-[5-chloro-2-(2-{[5-chloro-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylene}butylidene)-1,3-benzoxazol-3(2H)-yl]butane-1-sulfonate - N,N-diethylethanamine (1:1)",[H+].CCN(CC)CC.[O-]S(=O)(=O)CCCC[n+]3c4cc(Cl)ccc4oc3C=C(CC)C=C2Oc1ccc(Cl)cc1N2CCCCS([O-])(=O)=O,[H+].CCN(CC)CC.[O-]S(=O)(=O)CCCC[n+]3c4cc(Cl)ccc4oc3C=C(CC)C=C2Oc1ccc(Cl)cc1N2CCCCS([O-])(=O)=O,"InChI=1/C27H30Cl2N2O8S2.C6H15N.H2/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27;1-4-7(5-2)6-3;/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3;1H/q;;+1/p-1",C27H30Cl2N2O8S2.C6H15N,,,,,,WBEYWDOEKGGXFF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.254,300-425-4,93940-31-9,"(Z)-3-hexenyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate","hex-3-en-1-yl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate",CC\\C=C/CCOC(=O)c1ccccc1N=CCC(C)CCCC(C)(C)O,CC\C=C/CCOC(=O)c1ccccc1N=CCC(C)CCCC(C)(C)O,"InChI=1/C23H35NO3/c1-5-6-7-10-18-27-22(25)20-13-8-9-14-21(20)24-17-15-19(2)12-11-16-23(3,4)26/h6-9,13-14,17,19,26H,5,10-12,15-16,18H2,1-4H3",C23H35NO3,,,,,,YSEJJZAIYYXXRI-GLLGPOMSSA-N,,,,,,,,,,,
100.091.279,300-453-7,93940-56-8,Lithium tert-butylnaphthalenesulphonate,lithium 2-tert-butylnaphthalene-1-sulfonate,[Li+].CC(C)(C)c1ccc2ccccc2c1S(=O)(=O)[O-],[Li+].CC(C)(C)c1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C14H16O3S.Li/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)18(15,16)17;/h4-9H,1-3H3,(H,15,16,17);/q;+1/p-1",C18H24O3S.Li,,,,,,KGNJKFZYGXNHIP-UHFFFAOYSA-M,,,,,,,,,,,
100.091.281,300-455-8,93940-58-0,Lithium butylnaphthalenesulphonate,lithium 2-butylnaphthalene-1-sulfonate,[Li+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-],[Li+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C14H16O3S.Li/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;+1/p-1",C14H16O3S.Li,,,,,,HCXASCLMFSAQFD-UHFFFAOYSA-M,,,,,,,,,,,
100.091.284,300-458-4,93940-61-5,1-vinylhexyl isobutyrate,1-vinylhexyl 2-methylpropanoate,CCCCCC(OC(=O)C(C)C)C=C,CCCCCC(OC(=O)C(C)C)C=C,"InChI=1/C12H22O2/c1-5-7-8-9-11(6-2)14-12(13)10(3)4/h6,10-11H,2,5,7-9H2,1,3-4H3",C12H22O2,,,,,,DLKDRQIDXHAWNK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.296,300-472-0,93940-73-9,"5-oxo-L-proline, compound with 4-[(7-chloro-4-quinolyl)amino]-a-(diethylamino)-o-cresol (2:1)",5-oxo-L-proline - 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol (2:1),CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C20H22ClN3O.2C5H7NO3/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;2*7-4-2-1-3(6-4)5(8)9/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*3H,1-2H2,(H,6,7)(H,8,9)",C20H22ClN3O.2C5H7NO3,,,,,,QRZSUPISJKVWCJ-YHUPNWGDSA-N,,,,,,,,,,,
100.091.297,300-473-6,93940-74-0,"5-oxo-L-proline, compound with 2,3-dihydroxypropyl N-(7-chloro-4-quinolyl)anthranilate (1:1)","5-oxo-L-proline - 2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate (1:1)",OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23.OC(=O)[C@@H]4CCC(=O)N4,OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C19H17ClN2O4.C5H7NO3/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23;7-4-2-1-3(6-4)5(8)9/h1-9,13,23-24H,10-11H2,(H,21,22);3H,1-2H2,(H,6,7)(H,8,9)",C19H17ClN2O4.C5H7NO3,,,,,,AKGMPKHOXWVKGB-HVDRVSQOSA-N,,,,,,,,,,,
100.091.299,300-475-7,93940-76-2,"5-oxo-L-proline, compound with 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol (1:1)","5-oxo-L-proline - 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol (1:1)",CC(C)NCC(O)c1ccc(O)c(O)c1.OC(=O)[C@@H]2CCC(=O)N2,CC(C)NCC(O)c1ccc(O)c(O)c1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C11H17NO3.C5H7NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;7-4-2-1-3(6-4)5(8)9/h3-5,7,11-15H,6H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C11H17NO3.C5H7NO3,,,,,,ADBAJPRIULNAHL-HVDRVSQOSA-N,,,,,,,,,,,
100.092.770,302-094-1,94088-91-2,"9ß,11ß-epoxy-16a,17,21-trihydroxypregna-1,4-diene-3,20-dione","16,17,21-trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione",C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)C=C[C@]45C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)C=C[C@]45C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,"InChI=1/C21H26O6/c1-18-6-5-12(23)7-11(18)3-4-13-14-8-15(24)20(26,16(25)10-22)19(14,2)9-17-21(13,18)27-17/h5-7,13-15,17,22,24,26H,3-4,8-10H2,1-2H3",C21H26O6,,,,,,MJJGOAZIKWEYHG-APPPZISSSA-N,,,,,,,,,,,
100.092.773,302-097-8,94088-95-6,N-[N-(chloroacetyl)glycyl]-DL-valine,N-(chloroacetyl)glycyl-L-valine,CC(C)[C@H](NC(=O)CNC(=O)CCl)C(=O)O,CC(C)[C@H](NC(=O)CNC(=O)CCl)C(=O)O,"InChI=1/C9H15ClN2O4/c1-5(2)8(9(15)16)12-7(14)4-11-6(13)3-10/h5,8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)",C9H15ClN2O4,,,,,,BKNMSZCXSKJYBI-QMMMGPOBSA-N,,,,,,,,,,,
100.092.776,302-100-2,94088-98-9,N-(N-DL-valylglycyl)glycine,L-valylglycylglycine,CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)O,CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)O,"InChI=1/C9H17N3O4/c1-5(2)8(10)9(16)12-3-6(13)11-4-7(14)15/h5,8H,3-4,10H2,1-2H3,(H,11,13)(H,12,16)(H,14,15)",C9H17N3O4,,,,,,PIFJAFRUVWZRKR-QMMMGPOBSA-N,,,,,,,,,,,
100.090.087,299-143-1,93857-09-1,"Hexyl dihydrogen phosphate, compound with 2-aminoethanol (1:1)",hexyl dihydrogen phosphate - 2-aminoethanol (1:1),CCCCCCOP(=O)(O)O.NCCO,CCCCCCOP(=O)(O)O.NCCO,"InChI=1/C6H15O4P.C2H7NO/c1-2-3-4-5-6-10-11(7,8)9;3-1-2-4/h2-6H2,1H3,(H2,7,8,9);4H,1-3H2",C6H15O4P.C2H7NO,,,,,,RILHNMLHEZHOGG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.095,299-152-0,93857-20-6,"5-oxo-L-proline, compound with 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylthio)-10H-phenothiazine (1:1)",5-oxo-L-proline - 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine (1:1),CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1.OC(=O)[C@@H]5CCC(=O)N5,CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C21H26N2S2.C5H7NO3/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;7-4-2-1-3(6-4)5(8)9/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C21H26N2S2.C5H7NO3,,,,,,UKWGKTMQOARSQD-HVDRVSQOSA-N,,,,,,,,,,,
100.090.097,299-154-1,93857-22-8,"5-oxo-L-proline, compound with 5'a-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione (1:1)","5-oxo-L-proline - 5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman (1:1)",CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(=O)[C@@H]9CCC(=O)N9,CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(=O)[C@@H]9CCC(=O)N9,"InChI=1/C33H35N5O5.C5H7NO3/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;7-4-2-1-3(6-4)5(8)9/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);3H,1-2H2,(H,6,7)(H,8,9)",C33H35N5O5.C5H7NO3,,,,,,PRQPXYYXDJARKR-ANVJEPNWSA-N,,,,,,,,,,,
100.090.106,299-164-6,93857-31-9,"5-oxo-L-proline, compound with 5-chloro-7-iodoquinolin-8-ol (1:1)",5-oxo-L-proline - 5-chloro-7-iodoquinolin-8-ol (1:1),OC(=O)[C@@H]1CCC(=O)N1.Oc2c(I)cc(Cl)c3cccnc23,OC(=O)[C@@H]1CCC(=O)N1.Oc2c(I)cc(Cl)c3cccnc23,"InChI=1/C9H5ClINO.C5H7NO3/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;7-4-2-1-3(6-4)5(8)9/h1-4,13H;3H,1-2H2,(H,6,7)(H,8,9)",C9H5ClINO.C5H7NO3,,,,,,NXAYTNZACJQRQG-HVDRVSQOSA-N,,,,,,,,,,,
100.078.361,286-227-8,85201-34-9,"3-methoxy-17-methylmorphinan-4,6-diol","3-methoxy-17-methylmorphinan-4,6-diol",COc1ccc2C[C@@H]3[C@@H]4CCC(O)C[C@]4(CCN3C)c2c1O,COc1ccc2C[C@@H]3[C@@H]4CCC(O)C[C@]4(CCN3C)c2c1O,"InChI=1/C18H25NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3,6,12-14,20-21H,4-5,7-10H2,1-2H3",C18H25NO3,,,,,,SADZCZSUWMSOCW-HWSKEQOTSA-N,,,,,,,,,,,
100.078.365,286-232-5,85201-40-7,"(S)-1,2,3,4,10,14b-hexahydro-2-methyldibenzo[c,f]pyrazino[1,2-a]azepine monohydrochloride","2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine hydrochloride",Cl.CN1CCN2[C@H](C1)c3ccccc3Cc4ccccc24,Cl.CN1CCN2[C@H](C1)c3ccccc3Cc4ccccc24,"InChI=1/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H",C18H20N2.ClH,,,,,,YNPFMWCWRVTGKJ-GMUIIQOCSA-N,,,,,,,,,,,
100.078.507,286-388-4,85223-33-2,"Sodium 3-[[4-[(o-tolyl)amino]-5-sulpho-1-naphthyl]azo]-2,1-benzisothiazole-5-sulphonate","sodium 3-({4-[(2-methylphenyl)amino]-5-sulfo-1-naphthyl}diazenyl)-2,1-benzisothiazole-5-sulfonate",[Na+].OS(=O)(=O)c1cccc5c1c(Nc2ccccc2C)ccc5N=Nc3snc4ccc(cc34)S([O-])(=O)=O,[Na+].OS(=O)(=O)c1cccc5c1c(Nc2ccccc2C)ccc5N=Nc3snc4ccc(cc34)S([O-])(=O)=O,"InChI=1/C24H18N4O6S3.Na/c1-14-5-2-3-7-18(14)25-21-12-11-19(16-6-4-8-22(23(16)21)37(32,33)34)26-27-24-17-13-15(36(29,30)31)9-10-20(17)28-35-24;/h2-13,25H,1H3,(H,29,30,31)(H,32,33,34);/q;+1/p-1",C24H18N4O6S3.Na,,,,,,BZHRKWHVBZJEJG-UHFFFAOYSA-M,,,,,,,,,,,
100.092.812,302-140-0,94094-39-0,"5-chloro-2-[(4-chlorophenyl)thio]-N,N-dimethyl-4-nitroaniline","5-chloro-2-[(4-chlorophenyl)sulfanyl]-N,N-dimethyl-4-nitroaniline",CN(C)c1cc(Cl)c(cc1Sc2ccc(Cl)cc2)[N+](=O)[O-],CN(C)c1cc(Cl)c(cc1Sc2ccc(Cl)cc2)[N+](=O)[O-],"InChI=1/C14H12Cl2N2O2S/c1-17(2)13-7-11(16)12(18(19)20)8-14(13)21-10-5-3-9(15)4-6-10/h3-8H,1-2H3",C14H12Cl2N2O2S,,,,,,LWXFXDYOFMAQPL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.817,302-145-8,94094-44-7,3-(2-pyridyl)-3-(p-tolyl)propan-1-ol,3-(4-methylphenyl)-3-pyridin-2-ylpropan-1-ol,Cc1ccc(cc1)C(CCO)c2ccccn2,Cc1ccc(cc1)C(CCO)c2ccccn2,"InChI=1/C15H17NO/c1-12-5-7-13(8-6-12)14(9-11-17)15-4-2-3-10-16-15/h2-8,10,14,17H,9,11H2,1H3",C15H17NO,,,,,,PMJDJIICWDIDQO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.818,302-146-3,94094-45-8,"9H-thioxanthene-3-carbonitrile 10,10-dioxide","9H-thioxanthene-3-carbonitrile 10,10-dioxide",O=S1(=O)c2ccccc2Cc3ccc(cc13)C#N,O=S1(=O)c2ccccc2Cc3ccc(cc13)C#N,"InChI=1/C14H9NO2S/c15-9-10-5-6-12-8-11-3-1-2-4-13(11)18(16,17)14(12)7-10/h1-7H,8H2",C14H9NO2S,,,,,,CVJGTZDTLJIRCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.823,302-152-6,94094-50-5,2-(dimethylamino)-N-[4-hydroxy-3-[1-oxo-3-[3-(trifluoromethyl)phenyl]allyl]phenyl]acetamide,"N-(4-hydroxy-3-{3-[3-(trifluoromethyl)phenyl]acryloyl}phenyl)-N~2~,N~2~-dimethylglycinamide",CN(C)CC(=O)Nc1ccc(O)c(c1)C(=O)\\C=C\\c2cccc(c2)C(F)(F)F,CN(C)CC(=O)Nc1ccc(O)c(c1)C(=O)\C=C\c2cccc(c2)C(F)(F)F,"InChI=1/C20H19F3N2O3/c1-25(2)12-19(28)24-15-7-9-18(27)16(11-15)17(26)8-6-13-4-3-5-14(10-13)20(21,22)23/h3-11,27H,12H2,1-2H3,(H,24,28)",C20H19F3N2O3,,,,,,IKZAYYJKUYPUIQ-SOFGYWHQSA-N,,,,,,,,,,,
100.092.829,302-158-9,94094-56-1,5'-(dimethylamino)-2'-hydroxychalcone hydrochloride,1-[5-(dimethylamino)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one hydrochloride,Cl.CN(C)c1ccc(O)c(c1)C(=O)\\C=C\\c2ccccc2,Cl.CN(C)c1ccc(O)c(c1)C(=O)\C=C\c2ccccc2,"InChI=1/C17H17NO2.ClH/c1-18(2)14-9-11-17(20)15(12-14)16(19)10-8-13-6-4-3-5-7-13;/h3-12,20H,1-2H3;1H",C17H17NO2.ClH,,,,,,BZLMAJBVRRXFGP-VRTOBVRTSA-N,,,,,,,,,,,
100.090.665,299-778-4,93904-40-6,"8-(1H-benzimidazol-2-yl)-2-methyl-1H-benzimidazo[1,2-a]isoquino[5,4-fg]quinoline-1,3(2H)-dione","8-(1H-benzimidazol-2-yl)-2-methyl-1H-benzimidazo[1,2-a]isoquino[5,4-fg]quinoline-1,3(2H)-dione",CN1C(=O)c2cccc3c4cc(c5nc6ccccc6[nH]5)c7nc8ccccc8n7c4cc(C1=O)c23,CN1C(=O)c2cccc3c4cc(c5nc6ccccc6[nH]5)c7nc8ccccc8n7c4cc(C1=O)c23,"InChI=1/C29H17N5O2/c1-33-28(35)16-8-6-7-15-17-13-19(26-30-20-9-2-3-10-21(20)31-26)27-32-22-11-4-5-12-23(22)34(27)24(17)14-18(25(15)16)29(33)36/h2-14H,1H3,(H,30,31)",C29H17N5O2,,,,,,YLANRMOGWMCRLK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.229,299-299-0,93858-66-3,"Sodium 5,5-diethylbarbiturate, monoacetate",-,[Na+].CCC1(CC)C(=O)NC(=NC1=O)[O-].CC(=O)[O-],[Na+].CCC1(CC)C(=O)NC(=NC1=O)[O-].CC(=O)[O-],"InChI=1/C8H12N2O3.C2H4O2.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;1-2(3)4;/h3-4H2,1-2H3,(H2,9,10,11,12,13);1H3,(H,3,4);/q;;+1/p-2",C8H12N2O3.C2H4O2.Na,,,,,,DBFLLUVTCWGEHP-UHFFFAOYSA-L,,,,,,,,,,,
100.091.877,301-110-4,93981-27-2,"Sodium 2,2'-ethylenebis[5-aminobenzenesulphonate]","disodium 2,2'-ethane-1,2-diylbis(5-aminobenzenesulfonate)",[Na+].[Na+].Nc1ccc(CCc2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(CCc2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C14H16N2O6S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h3-8H,1-2,15-16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2",C14H16N2O6S2.xNa,,,,,,KYHFFJTYSXRBCO-UHFFFAOYSA-L,,,,,,,,,,,
100.091.878,301-112-5,93981-28-3,Sodium 3-chloro-4-hydroxy-5-nitrobenzenesulphonate,sodium 3-chloro-4-hydroxy-5-nitrobenzenesulfonate,[Na+].Oc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)[O-],[Na+].Oc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H4ClNO6S.Na/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11;/h1-2,9H,(H,12,13,14);/q;+1/p-1",C6H4ClNO6S.Na,,,,,,OEIOYFYIPDKOAV-UHFFFAOYSA-M,,,,,,,,,,,
100.091.881,301-115-1,93981-31-8,1-methylheptyl mercaptoacetate,1-methylheptyl sulfanylacetate,CCCCCCC(C)OC(=O)CS,CCCCCCC(C)OC(=O)CS,"InChI=1/C10H20O2S/c1-3-4-5-6-7-9(2)12-10(11)8-13/h9,13H,3-8H2,1-2H3",C10H20O2S,,,,,,ULKCVDYSSGJDNH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.679,299-794-1,93904-55-3,"6-(1,1-dimethylethyl)-4,4a,5,6,7,8-hexahydro-4-methylnaphthalen-2(3H)-one","6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",CC1CC(=O)C=C2CCC(CC12)C(C)(C)C,CC1CC(=O)C=C2CCC(CC12)C(C)(C)C,"InChI=1/C15H24O/c1-10-7-13(16)8-11-5-6-12(9-14(10)11)15(2,3)4/h8,10,12,14H,5-7,9H2,1-4H3",C15H24O,,,,,,NPEWVIACCSYRRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.682,299-797-8,93904-58-6,(S)-4-methylhex-5-enal,4-methylhex-5-enal,C[C@@H](CCC=O)C=C,C[C@@H](CCC=O)C=C,"InChI=1/C7H12O/c1-3-7(2)5-4-6-8/h3,6-7H,1,4-5H2,2H3",C7H12O,,,,,,ONNBZNJCHJAMQS-SSDOTTSWSA-N,,,,,,,,,,,
100.090.691,299-807-0,93904-67-7,[bis(2-acetoxyethyl)-m-tolyl]ammonium acetate,"2,4-bis(2-acetoxyethyl)-3-methylanilinium acetate",CC(=O)[O-].CC(=O)OCCc1ccc([NH3+])c(CCOC(=O)C)c1C,CC(=O)[O-].CC(=O)OCCc1ccc([NH3+])c(CCOC(=O)C)c1C,"InChI=1/C15H21NO4.C2H4O2/c1-10-13(6-8-19-11(2)17)4-5-15(16)14(10)7-9-20-12(3)18;1-2(3)4/h4-5H,6-9,16H2,1-3H3;1H3,(H,3,4)",C15H21NO4.C2H4O2,,,,,,ZPQIRKPXCCBPCY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.692,299-808-6,93904-69-9,"[benzyldimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] chloride","N-benzyl-N,N-dimethyl-3-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)Cc2ccccc2)C1=O,[Cl-].CCCCCCCCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)Cc2ccccc2)C1=O,"InChI=1/C34H59N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-32-29-33(37)35(34(32)38)27-23-28-36(2,3)30-31-24-20-19-21-25-31;/h19-21,24-25,32H,4-18,22-23,26-30H2,1-3H3;1H/q+1;/p-1",C34H57N2O2.Cl,,,,,,CYMKTCNFTODMIO-UHFFFAOYSA-M,,,,,,,,,,,
100.090.697,299-813-3,93904-79-1,4-(octadecenyl) hydrogen 2-octadecenylsuccinate,2-[2-(octadec-1-en-1-yloxy)-2-oxoethyl]icos-4-enoate,[O-]C(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OC=CCCCCCCCCCCCCCCCC,[O-]C(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OC=CCCCCCCCCCCCCCCCC,"InChI=1/C40H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(40(42)43)37-39(41)44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33-34,36,38H,3-30,32,35,37H2,1-2H3,(H,42,43)/p-1",C40H74O4,,,,,,NZWJLWCSPZNSSE-UHFFFAOYSA-M,,,,,,,,,,,
100.090.699,299-815-4,93904-82-6,(acryloylamino)tetradecane-1-sulphonic acid,1-(acryloylamino)tetradecane-1-sulfonic acid,CCCCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)O,CCCCCCCCCCCCCC(NC(=O)C=C)S(=O)(=O)O,"InChI=1/C17H33NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(23(20,21)22)18-16(19)4-2/h4,17H,2-3,5-15H2,1H3,(H,18,19)(H,20,21,22)",C17H33NO4S,,,,,,FPDCECCVQQURBP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.704,299-821-7,93904-87-1,Trisodium hydroxy[(4-sulphonatophenyl)azo]naphthalenedisulphonate,"trisodium 3-hydroxy-4-[(4-sulfonatophenyl)diazenyl]naphthalene-1,2-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3c(c(c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3c(c(c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H12N2O10S3.3Na/c19-14-13(18-17-9-5-7-10(8-6-9)29(20,21)22)11-3-1-2-4-12(11)15(30(23,24)25)16(14)31(26,27)28;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",C16H12N2O10S3.3Na,,,,,,LFSWMDHUWAXIBW-UHFFFAOYSA-K,,,,,,,,,,,
100.093.192,302-558-3,94110-18-6,Diethylammonium hexadecyl sulphate,N-ethylethanaminium hexadecyl sulfate,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC,"InChI=1/C16H34O4S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-5-4-2/h2-16H2,1H3,(H,17,18,19);5H,3-4H2,1-2H3",C16H34O4S.C4H11N,,,,,,MADASEMXYZRAQW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.085,285-924-4,85168-83-8,"Pentanitrodiacenaphtho[1,2-j:1',2'-l]fluoranthene","1,2,3,4,5-pentanitrodiacenaphtho[1,2-j:1',2'-l]fluoranthene",[O-][N+](=O)c1cc2c3c4c5cccc6cccc(c4c7c8cccc9cccc(c7c3c%10c(c(c(c(c1[N+](=O)[O-])c2%10)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c89)c56,[O-][N+](=O)c1cc2c3c4c5cccc6cccc(c4c7c8cccc9cccc(c7c3c%10c(c(c(c(c1[N+](=O)[O-])c2%10)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c89)c56,InChI=1/C36H13N5O10/c42-37(43)21-13-20-28-26-18-11-3-6-14-5-1-9-16(22(14)18)24(26)25-17-10-2-7-15-8-4-12-19(23(15)17)27(25)30(28)31-29(20)32(33(21)38(44)45)35(40(48)49)36(41(50)51)34(31)39(46)47/h1-13H,C36H13N5O10,,,,,,VLRYOGISCFCDIW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.087,285-927-0,85168-85-0,"Bromochloroanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione","1-bromo-2-chloroanthra[2,1,9-mna]benzo[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione",Clc1ccc2C(=O)c3ccc4c5ccc6C(=O)c7ccccc7c8nn(c9ccc(c2c1Br)c3c49)c5c68,Clc1ccc2C(=O)c3ccc4c5ccc6C(=O)c7ccccc7c8nn(c9ccc(c2c1Br)c3c49)c5c68,InChI=1/C31H12BrClN2O2/c32-27-21(33)11-9-19-24(27)17-10-12-22-25-13(5-7-18(23(17)25)31(19)37)15-6-8-20-26-28(34-35(22)29(15)26)14-3-1-2-4-16(14)30(20)36/h1-12H,C31H12BrClN2O2,,,,,,SMTSNAZPKREMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.092,285-932-8,85168-90-7,N-(2-aminoethyl)-3-oxobutyramide,N-(2-aminoethyl)-3-oxobutanamide,CC(=O)CC(=O)NCCN,CC(=O)CC(=O)NCCN,"InChI=1/C6H12N2O2/c1-5(9)4-6(10)8-3-2-7/h2-4,7H2,1H3,(H,8,10)",C6H12N2O2,,,,,,WDDZPNJQWYESGP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.095,285-935-4,85168-93-0,"N-(1,1-dimethoxyethyl)cyclohexylamine","N-(1,1-dimethoxyethyl)cyclohexanamine",COC(C)(NC1CCCCC1)OC,COC(C)(NC1CCCCC1)OC,"InChI=1/C10H21NO2/c1-10(12-2,13-3)11-9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3",C10H21NO2,,,,,,HENPAQQGODZROV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.097,285-938-0,85168-95-2,"2,2,6,6-tetrakis(2-hydroxyethyl)cyclohexan-1-one","2,2,6,6-tetrakis(2-hydroxyethyl)cyclohexanone",OCCC1(CCO)CCCC(CCO)(CCO)C1=O,OCCC1(CCO)CCCC(CCO)(CCO)C1=O,"InChI=1/C14H26O5/c15-8-4-13(5-9-16)2-1-3-14(6-10-17,7-11-18)12(13)19/h15-18H,1-11H2",C14H26O5,,,,,,BTRLAZJVXPCFPY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.101,285-942-2,85168-99-6,"3,7-diaminophenothiazin-5-ium thiocyanate","3,7-diaminophenothiazin-5-ium thiocyanate",Nc1ccc2nc3ccc(N)cc3[s+]c2c1.[S-]C#N,Nc1ccc2nc3ccc(N)cc3[s+]c2c1.[S-]C#N,"InChI=1/C12H10N3S.CHNS/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;2-1-3/h1-6H,13-14H2;3H/q+1;/p-1",C12H10N3S.CNS,,,,,,ZJBKVOBFNICJRV-UHFFFAOYSA-M,,,,,,,,,,,
100.078.104,285-945-9,85169-02-4,3-(4-fluorophenoxy)propiononitrile,3-(4-fluorophenoxy)propanenitrile,Fc1ccc(OCCC#N)cc1,Fc1ccc(OCCC#N)cc1,"InChI=1/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2",C9H8FNO,,,,,,MSQBUHCLFYFIGC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.108,285-950-6,85169-06-8,"Citric acid, manganese sodium salt",manganese(2+) sodium citrate,[Mn].[NaH].O=C(O)CC(O)(CC(=O)O)C(O)=O,[Mn].[NaH].O=C(O)CC(O)(CC(=O)O)C(O)=O,"InChI=1/C6H8O7.Mn.Na.H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;+2;+1;/rC6H8O7.Mn.HNa/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H/q;+2;+1",C6H8O7.xMn.xNa,,,,,,INNRVLGYPQVNDN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.114,285-956-9,85169-12-6,Ethyl 4-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-[(1-oxopropyl)amino]phenyl]azo]-5-cyanosalicylate,ethyl 4-({4-[bis(2-acetoxyethyl)amino]-2-(propionylamino)phenyl}diazenyl)-5-cyano-2-hydroxybenzoate,O=C(OCC)c1cc(C#N)c(cc1O)N=Nc2ccc(cc2NC(=O)CC)N(CCOC(C)=O)CCOC(C)=O,O=C(OCC)c1cc(C#N)c(cc1O)N=Nc2ccc(cc2NC(=O)CC)N(CCOC(C)=O)CCOC(C)=O,"InChI=1/C27H31N5O8/c1-5-26(36)29-24-14-20(32(9-11-39-17(3)33)10-12-40-18(4)34)7-8-22(24)30-31-23-15-25(35)21(13-19(23)16-28)27(37)38-6-2/h7-8,13-15,35H,5-6,9-12H2,1-4H3,(H,29,36)",C27H31N5O8,,,,,,RZVOOHWHJIPSJP-UHFFFAOYSA-N,,,,,,,,,,,
100.084.012,292-448-0,90622-46-1,"Alkanes, C14-16",tetradecane,CCCCCCCCCCCCCC,CCCCCCCCCCCCCC,"InChI=1/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3",-,,,,,,BGHCVCJVXZWKCC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.213,302-581-9,94113-48-1,"Decahydro-2,7-benzodioxecin-3,6-dione","decahydro-2,7-benzodioxecine-3,6-dione",O=C1CCC(=O)OCC2CCCCC2CO1,O=C1CCC(=O)OCC2CCCCC2CO1,"InChI=1/C12H18O4/c13-11-5-6-12(14)16-8-10-4-2-1-3-9(10)7-15-11/h9-10H,1-8H2",C12H18O4,,,,,,WUYDLFIACLRMNK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.215,302-584-5,94113-50-5,"3,3-dimethyl-1,5-dioxacyclopentadecane-6,15-dione","3,3-dimethyl-1,5-dioxacyclopentadecane-6,15-dione",CC1(C)COC(=O)CCCCCCCCC(=O)OC1,CC1(C)COC(=O)CCCCCCCCC(=O)OC1,"InChI=1/C15H26O4/c1-15(2)11-18-13(16)9-7-5-3-4-6-8-10-14(17)19-12-15/h3-12H2,1-2H3",C15H26O4,,,,,,WFHCYLFWGOWBSW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.778,302-102-3,94089-00-6,Sodium (6R-cis)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,sodium 3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,[Na+].CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)[O-])CO,[Na+].CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)[O-])CO,"InChI=1/C15H16N2O6S2.Na/c1-23-15(16-10(19)5-9-3-2-4-24-9)13(22)17-11(12(20)21)8(6-18)7-25-14(15)17;/h2-4,14,18H,5-7H2,1H3,(H,16,19)(H,20,21);/q;+1/p-1",C15H16N2O6S2.Na,,,,,,DPMKFWXGERLRCP-LDXVYITESA-M,,,,,,,,,,,
100.092.794,302-120-1,94089-20-0,"Dodecanedioic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine","dodecanedioic acid - N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine (1:1)",NCCNCCNCCNCCN.OC(=O)CCCCCCCCCCC(=O)O,NCCNCCNCCNCCN.OC(=O)CCCCCCCCCCC(=O)O,"InChI=1/C12H22O4.C8H23N5/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2,(H,13,14)(H,15,16);11-13H,1-10H2",C12H22O4.xC8H23N5,,,,,,VKVJDKIVSWZOGY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.801,302-128-5,94094-27-6,(E)-3-[6-(p-toluoyl)-2-pyridyl]acrylic acid,3-[6-(4-methylbenzoyl)pyridin-2-yl]acrylic acid,Cc1ccc(cc1)C(=O)c2cccc(\\C=C\\C(=O)O)n2,Cc1ccc(cc1)C(=O)c2cccc(\C=C\C(=O)O)n2,"InChI=1/C16H13NO3/c1-11-5-7-12(8-6-11)16(20)14-4-2-3-13(17-14)9-10-15(18)19/h2-10H,1H3,(H,18,19)",C16H13NO3,,,,,,USGBEAJEZNVPAG-MDZDMXLPSA-N,,,,,,,,,,,
100.092.806,302-133-2,94094-32-3,"N,N-bis(2-hydroxyethyl)palmitamide acetate","N,N-bis(2-hydroxyethyl)hexadecanamide acetate (salt)",CCCCCCCCCCCCCCCC(=O)N(CCO)CCO.CC(=O)O,CCCCCCCCCCCCCCCC(=O)N(CCO)CCO.CC(=O)O,"InChI=1/C20H41NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)21(16-18-22)17-19-23;1-2(3)4/h22-23H,2-19H2,1H3;1H3,(H,3,4)",C20H41NO3.C2H4O2,,,,,,NGVPIYGHTGSDBC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.809,302-136-9,94094-36-7,"Bis(2-hydroxyethyl)(octadeca-9,12-dienoyl)ammonium acetate","N,N-bis(2-hydroxyethyl)-1-oxooctadeca-9,12-dien-1-aminium acetate",O=C(CCCCCCCC=CCC=CCCCCC)[NH+](CCO)CCO.[O-]C(C)=O,O=C(CCCCCCCC=CCC=CCCCCC)[NH+](CCO)CCO.[O-]C(C)=O,"InChI=1/C22H41NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3;1H3,(H,3,4)",C22H41NO3.C2H4O2,,,,,,YLRISEYIWFXBRM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.382,298-367-7,93803-92-0,[1-[(chloromethyl)phenyl]ethyl]triethoxysilane,{1-[2-(chloromethyl)phenyl]ethyl}(triethoxy)silane,CCO[Si](OCC)(OCC)C(C)c1ccccc1CCl,CCO[Si](OCC)(OCC)C(C)c1ccccc1CCl,"InChI=1/C15H25ClO3Si/c1-5-17-20(18-6-2,19-7-3)13(4)15-11-9-8-10-14(15)12-16/h8-11,13H,5-7,12H2,1-4H3",C15H25ClO3Si,,,,,,YSXDNKZSMSWRSW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.384,298-369-8,93803-94-2,Methylcyclohexyl myristate,1-methylcyclohexyl myristate,CCCCCCCCCCCCCC(=O)OC1(C)CCCCC1,CCCCCCCCCCCCCC(=O)OC1(C)CCCCC1,"InChI=1/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-14-17-20(22)23-21(2)18-15-13-16-19-21/h3-19H2,1-2H3",C21H40O2,,,,,,IDMRXFBHYKSOHC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.401,298-388-1,93804-14-9,"Octahydro-1,1,5,5-tetramethyl-8aH-2,4a-methanonaphthalen-8a-yl formate","1,1,5,5-tetramethyloctahydro-8aH-2,4a-methanonaphthalen-8a-yl formate",CC1(C)CCCC2(OC=O)C(C)(C)C3CCC12C3,CC1(C)CCCC2(OC=O)C(C)(C)C3CCC12C3,"InChI=1/C16H26O2/c1-13(2)7-5-8-16(18-11-17)14(3,4)12-6-9-15(13,16)10-12/h11-12H,5-10H2,1-4H3",C16H26O2,,,,,,ASZSCIVQNNENQP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.406,298-393-9,93804-19-4,"1-(6-methyl-2-pyridyl)-1H,3H-pyrido[1,2-c][1,3]oxazine","1-(6-methylpyridin-2-yl)-3H-pyrido[1,2-c][1,3]oxazine",Cc1cccc(n1)C2OCC=C3C=CC=CN23,Cc1cccc(n1)C2OCC=C3C=CC=CN23,"InChI=1/C14H14N2O/c1-11-5-4-7-13(15-11)14-16-9-3-2-6-12(16)8-10-17-14/h2-9,14H,10H2,1H3",C14H20N2O,,,,,,CCTGZWQVZAHXQE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.412,298-400-5,93804-25-2,Trimethoxy(4-methylpentyl)silane,trimethoxy(4-methylpentyl)silane,CO[Si](CCCC(C)C)(OC)OC,CO[Si](CCCC(C)C)(OC)OC,"InChI=1/C9H22O3Si/c1-9(2)7-6-8-13(10-3,11-4)12-5/h9H,6-8H2,1-5H3",C9H22O3Si,,,,,,WYDMCUJHXCLUPN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.414,298-402-6,93804-27-4,Triethoxy(2-phenylpropyl)silane,triethoxy(2-phenylpropyl)silane,CCO[Si](CC(C)c1ccccc1)(OCC)OCC,CCO[Si](CC(C)c1ccccc1)(OCC)OCC,"InChI=1/C15H26O3Si/c1-5-16-19(17-6-2,18-7-3)13-14(4)15-11-9-8-10-12-15/h8-12,14H,5-7,13H2,1-4H3",C15H26O3Si,,,,,,UAIKVKJHJSZBFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.423,298-412-0,93804-36-5,"N-[3-(dimethylamino)propyl]-N'-[3-[[3-(dimethylamino)propyl]amino]propyl]propane-1,3-diamine","N'-{3-[(3-{[3-(dimethylamino)propyl]amino}propyl)amino]propyl}-N,N-dimethylpropane-1,3-diamine (non-preferred name)",CN(C)CCCNCCCNCCCNCCCN(C)C,CN(C)CCCNCCCNCCCNCCCN(C)C,"InChI=1/C16H39N5/c1-20(2)15-7-13-18-11-5-9-17-10-6-12-19-14-8-16-21(3)4/h17-19H,5-16H2,1-4H3",C16H39N5,,,,,,JSLHZPPSKXAHBR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.833,299-962-4,93918-82-2,Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate,tetradecyl 3-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)propanoate,CCCCCCCCCCCCCCOC(=O)CCSCC(=O)OCC(CC)CCCC,CCCCCCCCCCCCCCOC(=O)CCSCC(=O)OCC(CC)CCCC,"InChI=1/C27H52O4S/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-30-26(28)20-22-32-24-27(29)31-23-25(6-3)19-8-5-2/h25H,4-24H2,1-3H3",C27H52O4S,,,,,,IAELOIIBNWOIBD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.835,302-165-7,94094-63-0,[4-[[3-butoxy-2-[(hydroxypropoxyphosphinyl)oxy]propyl]ethylamino]-o-tolyl]bis[4-(diethylammonio)phenyl]methylium,{4-[(3-butoxy-2-{[hydroxy(propoxy)phosphoryl]oxy}propyl)(ethyl)amino]-2-methylphenyl}{bis[4-(diethylammonio)phenyl]}methylium,CCCCOCC(CN(CC)c1ccc([C+](c2ccc(cc2)[NH+](CC)CC)c3ccc(cc3)[NH+](CC)CC)c(C)c1)OP(=O)(O)OCCC,CCCCOCC(CN(CC)c1ccc([C+](c2ccc(cc2)[NH+](CC)CC)c3ccc(cc3)[NH+](CC)CC)c(C)c1)OP(=O)(O)OCCC,"InChI=1/C40H62N3O5P/c1-9-16-28-46-31-38(48-49(44,45)47-27-10-2)30-43(15-7)37-25-26-39(32(8)29-37)40(33-17-21-35(22-18-33)41(11-3)12-4)34-19-23-36(24-20-34)42(13-5)14-6/h17-26,29,38,40H,9-16,27-28,30-31H2,1-8H3,(H,44,45)/q+1/p+2",C40H60N3O5P,,,,,,NMSBXCLAZMOYSG-UHFFFAOYSA-Q,,,,,,,,,,,
100.092.844,302-175-1,94094-73-2,Sodium [(4-methoxyphenyl)methylene]phenylacetate,sodium 3-(4-methoxyphenyl)-2-phenylacrylate,[Na+].COc2ccc(C=C(c1ccccc1)C([O-])=O)cc2,[Na+].COc2ccc(C=C(c1ccccc1)C([O-])=O)cc2,"InChI=1/C16H14O3.Na/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13;/h2-11H,1H3,(H,17,18);/q;+1/p-1",C16H14O3.Na,,,,,,MPBAQAFAFGXLSK-UHFFFAOYSA-M,,,,,,,,,,,
100.092.846,302-177-2,94094-75-4,"1,1'-(pentane-1,5-diyl)bis[1-methylpyrrolidinium] 4,4'-methylenebis[3-hydroxynaphthalene-2-carboxylate]","1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) 4,4'-methylenebis(3-hydroxy-2-naphthoate)",C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.Oc3c(Cc4c(O)c(cc5ccccc45)C(=O)[O-])c6ccccc6cc3C(=O)[O-],C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.Oc3c(Cc4c(O)c(cc5ccccc45)C(=O)[O-])c6ccccc6cc3C(=O)[O-],"InChI=1/C23H16O6.C15H32N2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-15H2,1-2H3/q;+2/p-2",C23H14O6.C15H32N2,,,,,,POGJWKOIDIKSTG-UHFFFAOYSA-L,,,,,,,,,,,
100.092.847,302-178-8,94094-76-5,"3,3'-(1,2-dimethylethane-1,2-diylidene)bis[N-methyl-N'-(methylsulphonyl)carbazamidine]","N,7,8-trimethyl-4-(methylamino)-N'-(methylsulfonyl)-2-thia-3,5,6,9,10-pentaazaundeca-3,6,8-trien-11-imidamide 2,2-dioxide",O=S(=O)(C)N=C(NN=C(C)C(C)=NNC(=NS(C)(=O)=O)NC)NC,O=S(=O)(C)N=C(NN=C(C)C(C)=NNC(=NS(C)(=O)=O)NC)NC,"InChI=1/C10H22N8O4S2/c1-7(13-15-9(11-3)17-23(5,19)20)8(2)14-16-10(12-4)18-24(6,21)22/h1-6H3,(H2,11,15,17)(H2,12,16,18)",C10H22N8O4S2,,,,,,XDZBMQCXSUNZKF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.878,298-913-4,93840-49-4,"6-bromohexahydrofuro[3,2-b]furan-3-ol","1,4:3,6-dianhydro-2-bromo-2-deoxyhexitol",OC1COC2C(Br)COC12,OC1COC2C(Br)COC12,"InChI=1/C6H9BrO3/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6,8H,1-2H2",C6H9BrO3,,,,,,CYDSHUXBYGPGJA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.881,298-917-6,93840-52-9,N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-D-gluconamide,"N-{4-[(4-aminocyclohexyl)methyl]cyclohexyl}-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",NC1CCC(CC2CCC(CC2)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1,NC1CCC(CC2CCC(CC2)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1,"InChI=1/C19H36N2O6/c20-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)21-19(27)18(26)17(25)16(24)15(23)10-22/h11-18,22-26H,1-10,20H2,(H,21,27)",C19H36N2O6,,,,,,SAPNMYZHUSMHPK-XQMASPPQSA-N,,,,,,,,,,,
100.089.882,298-918-1,93840-53-0,"N,N'-(methylenedicyclohexane-4,1-diyl)bis-D-gluconamide","N,N'-(methylenedicyclohexane-4,1-diyl)bis(2,3,4,5,6-pentahydroxyhexanamide) (non-preferred name)",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NC1CCC(CC2CCC(CC2)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NC1CCC(CC2CCC(CC2)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1,"InChI=1/C25H46N2O12/c28-10-16(30)18(32)20(34)22(36)24(38)26-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)27-25(39)23(37)21(35)19(33)17(31)11-29/h12-23,28-37H,1-11H2,(H,26,38)(H,27,39)",C25H46N2O12,,,,,,CDPWNJYMTFLJHI-RCRCVYLOSA-N,,,,,,,,,,,
100.089.885,298-921-8,93840-56-3,N-(3-aminopropyl)-N-dodecyl-D-gluconamide,"N-(3-aminopropyl)-N-dodecyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C21H44N2O6/c1-2-3-4-5-6-7-8-9-10-11-14-23(15-12-13-22)21(29)20(28)19(27)18(26)17(25)16-24/h17-20,24-28H,2-16,22H2,1H3",C21H44N2O6,,,,,,CCAKFFMYVWVAAF-YSTOQKLRSA-N,,,,,,,,,,,
100.089.889,298-926-5,93840-60-9,"4,4'-trimethylenebis(oxy)bis[3-bromobenzonitrile]","4,4'-[propane-1,3-diylbis(oxy)]bis(3-bromobenzonitrile)",Brc1cc(ccc1OCCCOc2ccc(cc2Br)C#N)C#N,Brc1cc(ccc1OCCCOc2ccc(cc2Br)C#N)C#N,"InChI=1/C17H12Br2N2O2/c18-14-8-12(10-20)2-4-16(14)22-6-1-7-23-17-5-3-13(11-21)9-15(17)19/h2-5,8-9H,1,6-7H2",C17H12Br2N2O2,,,,,,LAHOXIOBTZVRCT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.891,298-928-6,93840-62-1,"Disodium 2,5-dihydroxybenzene-1,3-disulphonate","disodium 2,5-dihydroxybenzene-1,3-disulfonate",[Na+].[Na+].Oc1cc(c(O)c(c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(c(O)c(c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H6O8S2.2Na/c7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",C6H6O8S2.2Na,,,,,,XYYHOGSZZTXVFK-UHFFFAOYSA-L,,,,,,,,,,,
100.089.892,298-929-1,93840-63-2,"10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulphonamide maleate","10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulfonamide but-2-enedioate",CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C.OC(=O)\\C=C/C(=O)O,CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C.OC(=O)\C=C/C(=O)O,"InChI=1/C19H25N3O2S2.C4H4O4/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;5-3(6)1-2-4(7)8/h6-12,14H,13H2,1-5H3;1-2H,(H,5,6)(H,7,8)",C19H25N3O2S2.C4H4O4,,,,,,GXCDQNVHCJQZDY-BTJKTKAUSA-N,,,,,,,,,,,
100.090.708,299-825-9,93904-91-7,4-[(2-chlorophenyl)azo]-N-(dimethylphenyl)-3-hydroxynaphthalene-2-carboxamide,"4-[(2-chlorophenyl)diazenyl]-N-(2,3-dimethylphenyl)-3-hydroxy-2-naphthamide",Clc4ccccc4N=Nc2c3ccccc3cc(C(=O)Nc1cccc(C)c1C)c2O,Clc4ccccc4N=Nc2c3ccccc3cc(C(=O)Nc1cccc(C)c1C)c2O,"InChI=1/C25H20ClN3O2/c1-15-8-7-13-21(16(15)2)27-25(31)19-14-17-9-3-4-10-18(17)23(24(19)30)29-28-22-12-6-5-11-20(22)26/h3-14,30H,1-2H3,(H,27,31)",C25H20ClN3O2,,,,,,KRFJHMCNSBQWBK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.899,301-135-0,93981-49-8,Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate,"methyl 2-{[(1,2-dimethylcyclohex-3-en-1-yl)methylene]amino}benzoate",COC(=O)c2ccccc2N=CC1(C)CC\\C=C/C1C,COC(=O)c2ccccc2N=CC1(C)CC\C=C/C1C,"InChI=1/C17H21NO2/c1-13-8-6-7-11-17(13,2)12-18-15-10-5-4-9-14(15)16(19)20-3/h4-6,8-10,12-13H,7,11H2,1-3H3",C17H21NO2,,,,,,QVJHBJZLOUPGLB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.903,301-139-2,93981-53-4,"[2,2-bis(nonyloxy)ethyl]benzene","[2,2-bis(nonyloxy)ethyl]benzene",CCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCC,CCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCC,"InChI=1/C26H46O2/c1-3-5-7-9-11-13-18-22-27-26(24-25-20-16-15-17-21-25)28-23-19-14-12-10-8-6-4-2/h15-17,20-21,26H,3-14,18-19,22-24H2,1-2H3",C26H46O2,,,,,,GUGANXZUIVXJBG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.904,301-140-8,93981-54-5,"[2,2-bis(hexyloxy)ethyl]benzene","[2,2-bis(hexyloxy)ethyl]benzene",CCCCCCOC(Cc1ccccc1)OCCCCCC,CCCCCCOC(Cc1ccccc1)OCCCCCC,"InChI=1/C20H34O2/c1-3-5-7-12-16-21-20(22-17-13-8-6-4-2)18-19-14-10-9-11-15-19/h9-11,14-15,20H,3-8,12-13,16-18H2,1-2H3",C20H34O2,,,,,,LAWXVKVDOJTUAD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.909,301-146-0,93981-59-0,1-methoxytridec-5-ene,1-methoxytridec-5-ene,COCCCCC=CCCCCCCC,COCCCCC=CCCCCCCC,"InChI=1/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h9-10H,3-8,11-14H2,1-2H3",C14H28O,,,,,,YPYDBPSWBZGYLW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.911,301-148-1,93981-62-5,"(E,E)-8,8-bis[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dimethyloctan-2-ol","8,8-bis[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-2,6-dimethyloctan-2-ol",CC(CCCC(C)(C)O)CC(OC\\C=C(/C)\\CCC=C(C)C)OC\\C=C(/C)\\CCC=C(C)C,CC(CCCC(C)(C)O)CC(OC\C=C(/C)\CCC=C(C)C)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C30H54O3/c1-24(2)13-10-15-26(5)18-21-32-29(23-28(7)17-12-20-30(8,9)31)33-22-19-27(6)16-11-14-25(3)4/h13-14,18-19,28-29,31H,10-12,15-17,20-23H2,1-9H3",C30H54O3,,,,,,HAECKZIOHXEQSO-BFNWXZRRSA-N,,,,,,,,,,,
100.091.912,301-149-7,93981-63-6,4-(isopropyl)cyclohexaneacetaldehyde,(4-isopropylcyclohexyl)acetaldehyde,CC(C)C1CCC(CC=O)CC1,CC(C)C1CCC(CC=O)CC1,"InChI=1/C11H20O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h8-11H,3-7H2,1-2H3",C11H20O,,,,,,DTUMUCFHNCPJHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.918,301-156-5,93981-69-2,"Octahydro-5-(4-methoxybutylidene)-4,7-methano-1H-indene","5-(4-methoxybutylidene)octahydro-1H-4,7-methanoindene",COCCCC=C1CC2CC1C3CCCC23,COCCCC=C1CC2CC1C3CCCC23,"InChI=1/C15H24O/c1-16-8-3-2-5-11-9-12-10-15(11)14-7-4-6-13(12)14/h5,12-15H,2-4,6-10H2,1H3",C15H24O,,,,,,XRHVLQZJSWNRMK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.921,301-159-1,93981-72-7,3-chloro-4-[[4-(diethylamino)-o-tolyl]azo]benzonitrile,3-chloro-4-{[4-(diethylamino)-2-methylphenyl]diazenyl}benzonitrile,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CC)C#N,Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CC)C#N,"InChI=1/C18H19ClN4/c1-4-23(5-2)15-7-9-17(13(3)10-15)21-22-18-8-6-14(12-20)11-16(18)19/h6-11H,4-5H2,1-3H3",C18H19ClN4,,,,,,XFWHVVCCAFALIU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.923,301-161-2,93981-74-9,"4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]-3-methoxybenzenesulphonamide","3-methoxy-4-[(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]benzenesulfonamide",O=C2NC(=O)NC(=O)C2N=Nc1ccc(cc1OC)S(N)(=O)=O,O=C2NC(=O)NC(=O)C2N=Nc1ccc(cc1OC)S(N)(=O)=O,"InChI=1/C11H11N5O6S/c1-22-7-4-5(23(12,20)21)2-3-6(7)15-16-8-9(17)13-11(19)14-10(8)18/h2-4,8H,1H3,(H2,12,20,21)(H2,13,14,17,18,19)",C11H11N5O6S,,,,,,ZRCWVQUZZWYZNH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.929,301-168-0,93981-80-7,3-(p-tert-butylphenyl)-2-methylpropiononitrile,3-(4-tert-butylphenyl)-2-methylpropanenitrile,CC(Cc1ccc(cc1)C(C)(C)C)C#N,CC(Cc1ccc(cc1)C(C)(C)C)C#N,"InChI=1/C14H19N/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,11H,9H2,1-4H3",C14H19N,,,,,,IJCFINYXARJUNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.088.793,297-719-7,93762-06-2,N-[3-(morpholino)propyl]naphthalen-2-amine,N-(3-morpholin-4-ylpropyl)naphthalen-2-amine,C(CNc1ccc2ccccc2c1)CN3CCOCC3,C(CNc1ccc2ccccc2c1)CN3CCOCC3,"InChI=1/C17H22N2O/c1-2-5-16-14-17(7-6-15(16)4-1)18-8-3-9-19-10-12-20-13-11-19/h1-2,4-7,14,18H,3,8-13H2",C17H22N2O,,,,,,ZINOQNYPQHETBN-UHFFFAOYSA-N,,,,,,,,,,,
100.088.794,297-720-2,93762-07-3,N-(2-butoxyethyl)-4-[(2-chloro-4-nitrophenyl)azo]-N-ethylaniline,N-(2-butoxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylaniline,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOCCCC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOCCCC)[N+]([O-])=O,"InChI=1/C20H25ClN4O3/c1-3-5-13-28-14-12-24(4-2)17-8-6-16(7-9-17)22-23-20-11-10-18(25(26)27)15-19(20)21/h6-11,15H,3-5,12-14H2,1-2H3",C20H25ClN4O3,,,,,,AYIHOZYLPZMNPR-UHFFFAOYSA-N,,,,,,,,,,,
100.088.801,297-728-6,93762-14-2,Sodium isobutyl phthalate,sodium 2-(isobutoxycarbonyl)benzoate,[Na+].CC(C)COC(=O)c1ccccc1C(=O)[O-],[Na+].CC(C)COC(=O)c1ccccc1C(=O)[O-],"InChI=1/C12H14O4.Na/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14;/h3-6,8H,7H2,1-2H3,(H,13,14);/q;+1/p-1",C12H14O4.Na,,,,,,REWQYEQHPFDJHO-UHFFFAOYSA-M,,,,,,,,,,,
100.093.219,302-588-7,94113-54-9,(diphenylphosphino)dimethylindium,(diphenylphosphino)(dimethyl)indium,C[In](C)P(c1ccccc1)c2ccccc2,C[In](C)P(c1ccccc1)c2ccccc2,"InChI=1/C12H10P.2CH3.In/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1-10H;2*1H3;/q-1;;;+1/rC14H16InP/c1-15(2)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3",C14H16InP,,,,,,KRQHBDOOQHLFLO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.227,302-597-6,94113-62-9,"6-[(1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)amino]hexanoic acid","6-[(4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amino]hexanoic acid",OC(=O)CCCCCNC1=NC(=O)NC(=O)N1,OC(=O)CCCCCNC1=NC(=O)NC(=O)N1,"InChI=1/C9H14N4O4/c14-6(15)4-2-1-3-5-10-7-11-8(16)13-9(17)12-7/h1-5H2,(H,14,15)(H3,10,11,12,13,16,17)",C9H14N4O4,,,,,,UPPFGNUFAQBGNU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.233,302-603-7,94113-69-6,"N,N'-[ethylenebis(iminoethylene)]dioleamide","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisoctadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C42H82N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44H,3-16,21-40H2,1-2H3,(H,45,47)(H,46,48)",C42H82N4O2,,,,,,SEACOSILDQEZMB-CLFAGFIQSA-N,,,,,,,,,,,
100.093.238,302-608-4,94113-75-4,"(Z)-1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate",1-ethyl-2-heptadec-8-en-1-yl-3-(2-hydroxyethyl)imidazolidin-1-ium ethyl sulfate,CCCCCCCC\\C=C/CCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],"InChI=1/C24H48N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h11-12,24,27H,3-10,13-23H2,1-2H3;2H2,1H3,(H,3,4,5)",C24H47N2O.C2H5O4S,,,,,,ARBCCVBLRJCUPO-AFEZEDKISA-N,,,,,,,,,,,
100.090.008,299-056-9,93841-84-0,"10,11-dihydro-5-methyl-10-(methylammonio)-5H-dibenz[b,f]azepinium fumarate","5-methyl-10-(methylammonio)-10,11-dihydro-5H-dibenzo[b,f]azepinium but-2-enedioate",C[NH2+]C1Cc2ccccc2[NH+](C)c3ccccc13.[O-]C(=O)\\C=C\\C(=O)[O-],C[NH2+]C1Cc2ccccc2[NH+](C)c3ccccc13.[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C16H18N2.C4H4O4/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16;5-3(6)1-2-4(7)8/h3-10,14,17H,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C16H18N2.C4H4O4,,,,,,YQROWEVOSZDTPZ-WLHGVMLRSA-N,,,,,,,,,,,
100.090.015,299-064-2,93842-84-3,Benzyldiethyl[2-[(2-methyl-1-oxoallyl)oxy]propyl]ammonium chloride,"N-benzyl-N,N-diethyl-2-(methacryloyloxy)propan-1-aminium chloride",[Cl-].CC[N+](CC)(CC(C)OC(=O)C(=C)C)Cc1ccccc1,[Cl-].CC[N+](CC)(CC(C)OC(=O)C(=C)C)Cc1ccccc1,"InChI=1/C18H28NO2.ClH/c1-6-19(7-2,14-17-11-9-8-10-12-17)13-16(5)21-18(20)15(3)4;/h8-12,16H,3,6-7,13-14H2,1-2,4-5H3;1H/q+1;/p-1",C18H28NO2.Cl,,,,,,CCCLZKISYVLFLD-UHFFFAOYSA-M,,,,,,,,,,,
100.090.016,299-065-8,93842-86-5,Diethylmethyl[1-methyl-1-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium methyl sulphate,N-[1-(methacryloyloxy)-1-methylethyl]pentan-3-aminium methyl sulfate,CCC(CC)[NH2+]C(C)(C)OC(=O)C(=C)C.COS(=O)(=O)[O-],CCC(CC)[NH2+]C(C)(C)OC(=O)C(=C)C.COS(=O)(=O)[O-],"InChI=1/C12H23NO2.CH4O4S/c1-7-10(8-2)13-12(5,6)15-11(14)9(3)4;1-5-6(2,3)4/h10,13H,3,7-8H2,1-2,4-6H3;1H3,(H,2,3,4)",C12H24NO2.CH3O4S,,,,,,ROCNIIWFKNMTHF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.017,299-066-3,93842-88-7,Diethylmethyl[2-[(2-methyl-1-oxoallyl)oxy]propyl]ammonium methyl sulphate,N-[2-(methacryloyloxy)propyl]pentan-3-aminium methyl sulfate,CCC(CC)[NH2+]CC(C)OC(=O)C(=C)C.COS(=O)(=O)[O-],CCC(CC)[NH2+]CC(C)OC(=O)C(=C)C.COS(=O)(=O)[O-],"InChI=1/C12H23NO2.CH4O4S/c1-6-11(7-2)13-8-10(5)15-12(14)9(3)4;1-5-6(2,3)4/h10-11,13H,3,6-8H2,1-2,4-5H3;1H3,(H,2,3,4)",C12H24NO2.CH3O4S,,,,,,APWBKRHBMRNPHF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.022,299-072-6,93842-95-6,Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium sulphate,"bis[2-(acryloyloxy)-N,N-diethyl-N-methylpropan-2-aminium] sulfate",CC[N+](C)(CC)C(C)(C)OC(=O)C=C.CC[N+](C)(CC)C(C)(C)OC(=O)C=C.[O-]S(=O)(=O)[O-],CC[N+](C)(CC)C(C)(C)OC(=O)C=C.CC[N+](C)(CC)C(C)(C)OC(=O)C=C.[O-]S(=O)(=O)[O-],"InChI=1/2C11H22NO2.H2O4S/c2*1-7-10(13)14-11(4,5)12(6,8-2)9-3;1-5(2,3)4/h2*7H,1,8-9H2,2-6H3;(H2,1,2,3,4)/q2*+1;/p-2",C11H22NO2.CH3O4S,,,,,,LYHRLOGYIPIFEV-UHFFFAOYSA-L,,,,,,,,,,,
100.078.250,286-105-4,85187-18-4,2-hydroxyethyl 3-[(2-hydroxyethoxy)methylphosphinoyl]propionate,2-hydroxyethyl 3-[(2-hydroxyethoxy)(methyl)phosphoryl]propanoate,CP(=O)(CCC(=O)OCCO)OCCO,CP(=O)(CCC(=O)OCCO)OCCO,"InChI=1/C8H17O6P/c1-15(12,14-6-4-10)7-2-8(11)13-5-3-9/h9-10H,2-7H2,1H3",C8H17O6P,,,,,,FIJVNCLTSDTHSH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.256,286-112-2,85187-24-2,Potassium p-[(p-aminophenyl)azo]benzenesulphonate,potassium 4-[(4-aminophenyl)diazenyl]benzenesulfonate,[K+].[O-]S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1)cc2,[K+].[O-]S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C12H11N3O3S.K/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1",C12H11N3O3S.K,,,,,,AWSNBLMLYDFJLF-UHFFFAOYSA-M,,,,,,,,,,,
100.078.263,286-120-6,85187-31-1,"(S)-5-oxo-N,N-dipentylpyrrolidine-2-carboxamide","5-oxo-N,N-dipentyl-L-prolinamide",CCCCCN(CCCCC)C(=O)[C@@H]1CCC(=O)N1,CCCCCN(CCCCC)C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C15H28N2O2/c1-3-5-7-11-17(12-8-6-4-2)15(19)13-9-10-14(18)16-13/h13H,3-12H2,1-2H3,(H,16,18)",C15H28N2O2,,,,,,PVKBSNQSHLPBAK-ZDUSSCGKSA-N,,,,,,,,,,,
100.090.834,299-964-5,93918-83-3,3-[(2-ethylhexyl)thio]-2-methylpropiononitrile,3-[(2-ethylhexyl)sulfanyl]-2-methylpropanenitrile,CCCCC(CC)CSCC(C)C#N,CCCCC(CC)CSCC(C)C#N,"InChI=1/C12H23NS/c1-4-6-7-12(5-2)10-14-9-11(3)8-13/h11-12H,4-7,9-10H2,1-3H3",C12H23NS,,,,,,NERWRCYSTSIMEW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.835,299-965-0,93918-84-4,Dodecylethyl[3-[(2-ethylhexyl)oxy]-3-oxopropyl]sulphonium toluene-p-sulphonate,dodecyl(ethyl){3-[(2-ethylhexyl)oxy]-3-oxopropyl}sulfonium 4-methylbenzenesulfonate,CCCCCCCCCCCC[S+](CC)CCC(=O)OCC(CC)CCCC.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCCC[S+](CC)CCC(=O)OCC(CC)CCCC.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C25H51O2S.C7H8O3S/c1-5-9-11-12-13-14-15-16-17-18-21-28(8-4)22-20-25(26)27-23-24(7-3)19-10-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h24H,5-23H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C25H51O2S.C7H7O3S,,,,,,DWSPXTWLUQOANI-UHFFFAOYSA-M,,,,,,,,,,,
100.090.837,299-967-1,93918-86-6,"1,1'-[(3,5-dimethylphenyl)imino]bis(butan-2-ol)","1,1'-[(3,5-dimethylphenyl)imino]dibutan-2-ol",CCC(O)CN(CC(O)CC)c1cc(C)cc(C)c1,CCC(O)CN(CC(O)CC)c1cc(C)cc(C)c1,"InChI=1/C16H27NO2/c1-5-15(18)10-17(11-16(19)6-2)14-8-12(3)7-13(4)9-14/h7-9,15-16,18-19H,5-6,10-11H2,1-4H3",C16H27NO2,,,,,,MNHPEUKMVUMQQH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.840,299-970-8,93918-89-9,Tributoxyethoxytitanium,titanium(4+) tributan-1-olate ethanolate,CCCCO[Ti](OCC)(OCCCC)OCCCC,CCCCO[Ti](OCC)(OCCCC)OCCCC,"InChI=1/3C4H9O.C2H5O.Ti/c3*1-2-3-4-5;1-2-3;/h3*2-4H2,1H3;2H2,1H3;/q4*-1;+4/rC14H32O4Ti/c1-5-9-12-16-19(15-8-4,17-13-10-6-2)18-14-11-7-3/h5-14H2,1-4H3",C14H32O4Ti,,,,,,DLOURAQMINZMDY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.848,299-979-7,93918-97-9,"Galactaric acid, compound with 1,5-dimethyl-N-(3-methylbutyl)hexylamine (1:2)",6-methyl-N-(3-methylbutyl)heptan-2-amine - D-galactaric acid (2:1),CC(C)CCCC(C)NCCC(C)C.CC(C)CCCC(C)NCCC(C)C.O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O,CC(C)CCCC(C)NCCC(C)C.CC(C)CCCC(C)NCCC(C)C.O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O,"InChI=1/2C13H29N.C6H10O8/c2*1-11(2)7-6-8-13(5)14-10-9-12(3)4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*11-14H,6-10H2,1-5H3;1-4,7-10H,(H,11,12)(H,13,14)",C13H29N.1/2C6H10O8,,,,,,UJGUOLMDGMDNGF-IBGZLQDMSA-N,,,,,,,,,,,
100.090.851,299-982-3,93919-00-7,Ethyl 5-oxodecanoate,ethyl 5-oxodecanoate,CCCCCC(=O)CCCC(=O)OCC,CCCCCC(=O)CCCC(=O)OCC,"InChI=1/C12H22O3/c1-3-5-6-8-11(13)9-7-10-12(14)15-4-2/h3-10H2,1-2H3",C12H22O3,,,,,,ZAHUTEIIIFGYHV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.854,299-986-5,93919-03-0,Ethyl 8-(acetoxy)octanoate,ethyl 8-acetoxyoctanoate,CCOC(=O)CCCCCCCOC(=O)C,CCOC(=O)CCCCCCCOC(=O)C,"InChI=1/C12H22O4/c1-3-15-12(14)9-7-5-4-6-8-10-16-11(2)13/h3-10H2,1-2H3",C12H22O4,,,,,,HDULGKMDLBJWKO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.855,299-987-0,93919-04-1,2-methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl butyrate,5-isopropenyl-2-methylcyclohex-2-en-1-yl butyrate,CCCC(=O)OC1CC(CC=C1C)C(=C)C,CCCC(=O)OC1CC(CC=C1C)C(=C)C,"InChI=1/C14H22O2/c1-5-6-14(15)16-13-9-12(10(2)3)8-7-11(13)4/h7,12-13H,2,5-6,8-9H2,1,3-4H3",C14H22O2,,,,,,NFYWZJFDZXGDJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.856,299-988-6,93919-05-2,"1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","1,3,5-tris{6-[({[(1-methylpropylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione",CC(CC)=NOC(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)ON=C(C)CC)C(=O)N(CCCCCCNC(=O)ON=C(C)CC)C1=O,CC(CC)=NOC(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)ON=C(C)CC)C(=O)N(CCCCCCNC(=O)ON=C(C)CC)C1=O,"InChI=1/C36H63N9O9/c1-7-28(4)40-52-31(46)37-22-16-10-13-19-25-43-34(49)44(26-20-14-11-17-23-38-32(47)53-41-29(5)8-2)36(51)45(35(43)50)27-21-15-12-18-24-39-33(48)54-42-30(6)9-3/h7-27H2,1-6H3,(H,37,46)(H,38,47)(H,39,48)",C36H63N9O9,,,,,,VTPYIPYVTKFSGP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.857,299-989-1,93919-06-3,Benzyl hydrogen 2-butenedioate,4-(benzyloxy)-4-oxobut-2-enoic acid,OC(=O)C=CC(=O)OCc1ccccc1,OC(=O)C=CC(=O)OCc1ccccc1,"InChI=1/C11H10O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)",C11H10O4,,,,,,QKUGKZFASYQCGO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.861,299-993-3,93919-10-9,4-(tetrahydro-5-methyl-2-furyl)pentan-2-one,4-(5-methyltetrahydrofuran-2-yl)pentan-2-one,CC(CC(=O)C)C1CCC(C)O1,CC(CC(=O)C)C1CCC(C)O1,"InChI=1/C10H18O2/c1-7(6-8(2)11)10-5-4-9(3)12-10/h7,9-10H,4-6H2,1-3H3",C10H18O2,,,,,,KVJYSZNBAXFWFX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.319,300-497-7,93940-98-8,"2,3-bis[[[2-[(2-aminoethyl)amino]ethyl]amino]methyl]phenol","2,3-bis[({2-[(2-aminoethyl)amino]ethyl}amino)methyl]phenol",NCCNCCNCc1cccc(O)c1CNCCNCCN,NCCNCCNCc1cccc(O)c1CNCCNCCN,"InChI=1/C16H32N6O/c17-4-6-19-8-10-21-12-14-2-1-3-16(23)15(14)13-22-11-9-20-7-5-18/h1-3,19-23H,4-13,17-18H2",C16H32N6O,,,,,,XYCHOUSTRNPKQN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.320,300-498-2,93940-99-9,"2,4,6-tris[[[2-[(2-aminoethyl)amino]ethyl]amino]methyl]phenol","2,4,6-tris[({2-[(2-aminoethyl)amino]ethyl}amino)methyl]phenol",NCCNCCNCc1cc(CNCCNCCN)c(O)c(CNCCNCCN)c1,NCCNCCNCc1cc(CNCCNCCN)c(O)c(CNCCNCCN)c1,"InChI=1/C21H45N9O/c22-1-4-25-7-10-28-15-18-13-19(16-29-11-8-26-5-2-23)21(31)20(14-18)17-30-12-9-27-6-3-24/h13-14,25-31H,1-12,15-17,22-24H2",C21H45N9O,,,,,,UFHKHWHPROUYJH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.324,300-502-2,93941-03-8,Diethyl [(5-bromo-1H-indol-3-yl)methylene]malonate,diethyl [(5-bromo-1H-indol-3-yl)methylene]malonate,CCOC(=O)C(=Cc1c[nH]c2ccc(Br)cc12)C(=O)OCC,CCOC(=O)C(=Cc1c[nH]c2ccc(Br)cc12)C(=O)OCC,"InChI=1/C16H16BrNO4/c1-3-21-15(19)13(16(20)22-4-2)7-10-9-18-14-6-5-11(17)8-12(10)14/h5-9,18H,3-4H2,1-2H3",C16H16BrNO4,,,,,,XFWAGGLINZUVII-UHFFFAOYSA-N,,,,,,,,,,,
100.090.110,299-168-8,93857-35-3,"5-oxo-L-proline, compound with 4-amino-2-methyl-1-naphthol (1:1)",5-oxo-L-proline - 4-amino-2-methyl-1-naphthol (1:1),Cc1cc(N)c2ccccc2c1O.OC(=O)[C@@H]3CCC(=O)N3,Cc1cc(N)c2ccccc2c1O.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C11H11NO.C5H7NO3/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;7-4-2-1-3(6-4)5(8)9/h2-6,13H,12H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C11H11NO.C5H7NO3,,,,,,GGLOONDWKGBEGT-HVDRVSQOSA-N,,,,,,,,,,,
100.078.517,286-399-4,85237-40-7,"(1S)-1-[[[(dihydroxybismuthino)oxy]sulphonyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one","1-({[(dihydroxybismuthino)oxy]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CC[C@@]1(CS(=O)(=O)O[Bi](O)O)C(=O)C2,CC1(C)C2CC[C@@]1(CS(=O)(=O)O[Bi](O)O)C(=O)C2,"InChI=1/C10H16O4S.Bi.2H2O/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;;;/h7H,3-6H2,1-2H3,(H,12,13,14);;2*1H2/q;+3;;/p-3/rC10H17BiO6S/c1-9(2)7-3-4-10(9,8(12)5-7)6-18(15,16)17-11(13)14/h7,13-14H,3-6H2,1-2H3",C10H17BiO6S,,,,,,UBFDDVSGJBGWNR-XWKBRMAXSA-K,,,,,,,,,,,
100.078.519,286-401-3,85237-42-9,Dibismuth tris(methylarsonate),dibismuth tris(methylarsonate),[BiH3+3].[BiH3+3].C[As](=O)([O-])[O-].C[As](=O)([O-])[O-].C[As](=O)([O-])[O-],[BiH3+3].[BiH3+3].C[As](=O)([O-])[O-].C[As](=O)([O-])[O-].C[As](=O)([O-])[O-],"InChI=1/3CH5AsO3.2Bi.6H/c3*1-2(3,4)5;;;;;;;;/h3*1H3,(H2,3,4,5);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3CH5AsO3.2BiH3/c3*1-2(3,4)5;;/h3*1H3,(H2,3,4,5);2*1H3/q;;;2*+3/p-6",CH5AsO3.2/3Bi,,,,,,PUMTXRMVYHEZHA-UHFFFAOYSA-H,,,,,,,,,,,
100.078.524,286-407-6,85237-48-5,5-(ethylsulphonyl)-2-methoxybenzenediazonium tetrachlorozincate (2:1),bis[5-(ethylsulfonyl)-2-methoxybenzenediazonium] tetrachlorozincate(2-),CCS(=O)(=O)c1ccc(OC)c(c1)[N+]#N.CCS(=O)(=O)c2ccc(OC)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCS(=O)(=O)c1ccc(OC)c(c1)[N+]#N.CCS(=O)(=O)c2ccc(OC)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C9H11N2O3S.4ClH.Zn/c2*1-3-15(12,13)7-4-5-9(14-2)8(6-7)11-10;;;;;/h2*4-6H,3H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H11N2O3S.Cl4Zn/c2*1-3-15(12,13)7-4-5-9(14-2)8(6-7)11-10;1-5(2,3)4/h2*4-6H,3H2,1-2H3;/q2*+1;-2",C9H11N2O3S.1/2Cl4Zn,,,,,,UORUCBVXNYJNBP-UHFFFAOYSA-J,,,,,,,,,,,
100.078.530,286-413-9,85237-54-3,Sodium 2-(acetylamino)-5-aminobenzoate,sodium 2-acetamido-5-aminobenzoate,[Na+].CC(=O)Nc1ccc(N)cc1C(=O)[O-],[Na+].CC(=O)Nc1ccc(N)cc1C(=O)[O-],"InChI=1/C9H10N2O3.Na/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14;/h2-4H,10H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1",C9H10N2O3.Na,,,,,,SBLCFKDQDWZAJH-UHFFFAOYSA-M,,,,,,,,,,,
100.078.534,286-418-6,85237-58-7,N-[4-amino-3-[(p-tolyl)sulphonyl]phenyl]benzamide,N-{4-amino-3-[(4-methylphenyl)sulfonyl]phenyl}benzamide,Cc1ccc(cc1)S(=O)(=O)c2cc(NC(=O)c3ccccc3)ccc2N,Cc1ccc(cc1)S(=O)(=O)c2cc(NC(=O)c3ccccc3)ccc2N,"InChI=1/C20H18N2O3S/c1-14-7-10-17(11-8-14)26(24,25)19-13-16(9-12-18(19)21)22-20(23)15-5-3-2-4-6-15/h2-13H,21H2,1H3,(H,22,23)",C20H18N2O3S,,,,,,WEXAOBVLOYDCGA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.535,286-419-1,85237-59-8,3-amino-5-benzamido-4-hydroxybenzenesulphonic acid,3-amino-5-(benzoylamino)-4-hydroxybenzenesulfonic acid,Nc1cc(cc(NC(=O)c2ccccc2)c1O)S(=O)(=O)O,Nc1cc(cc(NC(=O)c2ccccc2)c1O)S(=O)(=O)O,"InChI=1/C13H12N2O5S/c14-10-6-9(21(18,19)20)7-11(12(10)16)15-13(17)8-4-2-1-3-5-8/h1-7,16H,14H2,(H,15,17)(H,18,19,20)",C13H12N2O5S,,,,,,CUQJYQHDIVIFIF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.540,286-424-9,85237-64-5,"1'-methyl-2,3'-bipiperidine","1'-methyl-2,3'-bipiperidine",CN1CCCC(C1)C2CCCCN2,CN1CCCC(C1)C2CCCCN2,"InChI=1/C11H22N2/c1-13-8-4-5-10(9-13)11-6-2-3-7-12-11/h10-12H,2-9H2,1H3",C11H22N2,,,,,,JNYCBCGVMYGERE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.547,286-432-2,85237-71-4,5-methyl-2-(p-tolyl)pyridine,5-methyl-2-(4-methylphenyl)pyridine,Cc1ccc(cc1)c2ccc(C)cn2,Cc1ccc(cc1)c2ccc(C)cn2,"InChI=1/C13H13N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-9H,1-2H3",C13H13N,,,,,,PTBRNAVGPWOGSE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.551,286-436-4,85237-75-8,"2,6-di-tert-butylpiperidine","2,6-di-tert-butylpiperidine",CC(C)(C)C1CCCC(N1)C(C)(C)C,CC(C)(C)C1CCCC(N1)C(C)(C)C,"InChI=1/C13H27N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h10-11,14H,7-9H2,1-6H3",C13H27N,,,,,,ZOYHTWUFFGGARK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.850,302-181-4,94094-80-1,"3-[(4-hydroxyphenyl)amino]-2,6-dinitrobenzenesulphonic acid","3-[(4-hydroxyphenyl)amino]-2,6-dinitrobenzenesulfonic acid",Oc1ccc(Nc2ccc(c(c2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])cc1,Oc1ccc(Nc2ccc(c(c2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])cc1,"InChI=1/C12H9N3O8S/c16-8-3-1-7(2-4-8)13-9-5-6-10(14(17)18)12(24(21,22)23)11(9)15(19)20/h1-6,13,16H,(H,21,22,23)",C12H9N3O8S,,,,,,YFPQLLJMKAPUQU-UHFFFAOYSA-N,,,,,,,,,,,
100.088.014,296-860-1,93156-98-0,"3,5-di-tert-butyl-4-hydroxybenzyl formate","3,5-di-tert-butyl-4-hydroxybenzyl formate",CC(C)(C)c1cc(COC=O)cc(c1O)C(C)(C)C,CC(C)(C)c1cc(COC=O)cc(c1O)C(C)(C)C,"InChI=1/C16H24O3/c1-15(2,3)12-7-11(9-19-10-17)8-13(14(12)18)16(4,5)6/h7-8,10,18H,9H2,1-6H3",C16H24O3,,,,,,JAVYTICZAGNGHS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.906,298-944-3,93840-78-9,"5,9-dimethyl-2-decenal","5,9-dimethyldec-2-enal",CC(C)CCCC(C)CC=CC=O,CC(C)CCCC(C)CC=CC=O,"InChI=1/C12H22O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h4-5,10-12H,6-9H2,1-3H3",C12H22O,,,,,,ROXNDLMMXXKEMM-UHFFFAOYSA-N,,,,,,,,,,,
100.088.810,297-738-0,93762-24-4,"2,3-dihydroxypropyl 5-hydroxydodecanoate","2,3-dihydroxypropyl 5-hydroxydodecanoate",CCCCCCCC(O)CCCC(=O)OCC(O)CO,CCCCCCCC(O)CCCC(=O)OCC(O)CO,"InChI=1/C15H30O5/c1-2-3-4-5-6-8-13(17)9-7-10-15(19)20-12-14(18)11-16/h13-14,16-18H,2-12H2,1H3",C15H30O5,,,,,,KCEQGTJBAICOKH-UHFFFAOYSA-N,,,,,,,,,,,
100.088.813,297-741-7,93762-27-7,"2-henicosyl-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride","2-henicosyl-1,3-bis(2-hydroxyethyl)imidazolidin-1-ium chloride",[Cl-].CCCCCCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCO,[Cl-].CCCCCCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCO,"InChI=1/C28H58N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-29(24-26-31)22-23-30(28)25-27-32;/h28,31-32H,2-27H2,1H3;1H",C28H57N2O2.Cl,,,,,,ZMMRABOTAPYQID-UHFFFAOYSA-N,,,,,,,,,,,
100.088.814,297-742-2,93762-28-8,"4,5-dihydro-1,3-bis(2-hydroxyethyl)-2-undecyl-1H-imidazolium chloride","1,3-bis(2-hydroxyethyl)-2-undecylimidazolidin-1-ium chloride",[Cl-].CCCCCCCCCCCC1N(CCO)CC[NH+]1CCO,[Cl-].CCCCCCCCCCCC1N(CCO)CC[NH+]1CCO,"InChI=1/C18H38N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-19(14-16-21)12-13-20(18)15-17-22;/h18,21-22H,2-17H2,1H3;1H",C18H37N2O2.Cl,,,,,,AYIIXFAKXMHGKB-UHFFFAOYSA-N,,,,,,,,,,,
100.088.816,297-744-3,93762-32-4,"1-ethyl-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium ethyl sulphate",1-ethyl-3-(2-hydroxyethyl)-2-undecylimidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],"InChI=1/C18H38N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-18-19(4-2)14-15-20(18)16-17-21;1-2-6-7(3,4)5/h18,21H,3-17H2,1-2H3;2H2,1H3,(H,3,4,5)",C18H37N2O.C2H5O4S,,,,,,YWDBDVNAPCEUSM-UHFFFAOYSA-N,,,,,,,,,,,
100.088.819,297-748-5,93762-35-7,Pentyl 3-(methylthio)propionate,pentyl 3-(methylsulfanyl)propanoate,CCCCCOC(=O)CCSC,CCCCCOC(=O)CCSC,"InChI=1/C9H18O2S/c1-3-4-5-7-11-9(10)6-8-12-2/h3-8H2,1-2H3",C9H18O2S,,,,,,VSCXQPTWKZWPQB-UHFFFAOYSA-N,,,,,,,,,,,
100.088.820,297-749-0,93762-36-8,"5-(benzoylamino)-4-hydroxy-3-[[2-[4-(tert-pentyl)phenoxy]phenyl]azo]naphthalene-2,7-disulphonic acid","5-(benzoylamino)-3-({2-[4-(1,1-dimethylpropyl)phenoxy]phenyl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4ccccc4Oc3ccc(cc3)C(C)(C)CC)S(O)(=O)=O,OS(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4ccccc4Oc3ccc(cc3)C(C)(C)CC)S(O)(=O)=O,"InChI=1/C34H31N3O9S2/c1-4-34(2,3)23-14-16-24(17-15-23)46-28-13-9-8-12-26(28)36-37-31-29(48(43,44)45)19-22-18-25(47(40,41)42)20-27(30(22)32(31)38)35-33(39)21-10-6-5-7-11-21/h5-20,38H,4H2,1-3H3,(H,35,39)(H,40,41,42)(H,43,44,45)",C34H31N3O9S2,,,,,,RQAWHRHMPIPFDC-UHFFFAOYSA-N,,,,,,,,,,,
100.088.821,297-750-6,93762-37-9,"5-(acetylamino)-3-[(4-dodecylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-acetamido-3-[(4-dodecylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid",CC(=O)Nc2cc(cc3cc(c(N=Nc1ccc(CCCCCCCCCCCC)cc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O,CC(=O)Nc2cc(cc3cc(c(N=Nc1ccc(CCCCCCCCCCCC)cc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C30H39N3O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35/h14-20,35H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41)",C30H39N3O8S2,,,,,,AAKZHIRXVGWBRY-UHFFFAOYSA-N,,,,,,,,,,,
100.088.823,297-752-7,93762-39-1,"2-ethyl-1-(2,4,6-trimethylbenzoyl)-1H-imidazole",2-ethyl-1-(mesitylcarbonyl)-1H-imidazole,CCc1nccn1C(=O)c2c(C)cc(C)cc2C,CCc1nccn1C(=O)c2c(C)cc(C)cc2C,"InChI=1/C15H18N2O/c1-5-13-16-6-7-17(13)15(18)14-11(3)8-10(2)9-12(14)4/h6-9H,5H2,1-4H3",C15H18N2O,,,,,,QLRYDIRQUQZTKB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.713,299-831-1,93904-96-2,"Cumenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","2-isopropylbenzenesulfonic acid - 2,2',2''-nitrilotriethanol (1:1)",CC(C)c1ccccc1S(=O)(=O)O.OCCN(CCO)CCO,CC(C)c1ccccc1S(=O)(=O)O.OCCN(CCO)CCO,"InChI=1/C9H12O3S.C6H15NO3/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;8-4-1-7(2-5-9)3-6-10/h3-7H,1-2H3,(H,10,11,12);8-10H,1-6H2",C9H12O3S.C6H15NO3,,,,,,YPWNBBOBLIKTNO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.723,299-842-1,93905-07-8,Hexadecyl-o-xylenesulphonic acid,"6-hexadecyl-2,3-dimethylbenzenesulfonic acid",CCCCCCCCCCCCCCCCc1ccc(C)c(C)c1S(=O)(=O)O,CCCCCCCCCCCCCCCCc1ccc(C)c(C)c1S(=O)(=O)O,"InChI=1/C24H42O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-21(2)22(3)24(23)28(25,26)27/h19-20H,4-18H2,1-3H3,(H,25,26,27)",C24H42O3S,,,,,,YOVWDOIOLWPVKU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.730,299-850-5,93917-71-6,2-hexenyl 2-propylhept-2-enoate,hex-2-en-1-yl 2-propylhept-2-enoate,CCCC=CCOC(=O)C(CCC)=CCCCC,CCCC=CCOC(=O)C(CCC)=CCCCC,"InChI=1/C16H28O2/c1-4-7-9-11-14-18-16(17)15(12-6-3)13-10-8-5-2/h9,11,13H,4-8,10,12,14H2,1-3H3",C16H28O2,,,,,,LQNDNPGIKOBGSO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.733,299-853-1,93917-74-9,4-allyl-2-methoxyphenyl heptanoate,4-allyl-2-methoxyphenyl heptanoate,CCCCCCC(=O)Oc1ccc(CC=C)cc1OC,CCCCCCC(=O)Oc1ccc(CC=C)cc1OC,"InChI=1/C17H24O3/c1-4-6-7-8-10-17(18)20-15-12-11-14(9-5-2)13-16(15)19-3/h5,11-13H,2,4,6-10H2,1,3H3",C17H24O3,,,,,,SSZHJUHMUSGBLF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.735,299-855-2,93917-76-1,Ammonium pentadecanoate,ammonium pentadecanoate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/5C10H20O2.5H3N/c5*1-2-3-4-5-6-7-8-9-10(11)12;;;;;/h5*2-9H2,1H3,(H,11,12);5*1H3",C15H30O2.H3N,,,,,,STNAXFLAPMLDKU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.270,286-127-4,85187-38-8,"Formic acid, compound with 2,4,6-tris[(dimethylamino)methyl]phenol (3:1)","formic acid - 2,4,6-tris[(dimethylamino)methyl]phenol (3:1)",CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.OC=O.OC=O.OC=O,CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.OC=O.OC=O.OC=O,"InChI=1/C15H27N3O.3CH2O2/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;3*2-1-3/h7-8,19H,9-11H2,1-6H3;3*1H,(H,2,3)",C15H27N3O.3CH2O2,,,,,,ADWLCJZOIHORGX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.279,286-137-9,85187-47-9,[[isopropoxymethylethoxy]methylethoxy]propanol,1-[2-(2-isopropoxy-1-methylethoxy)-1-methylethoxy]propan-1-ol,CCC(O)OC(C)COC(C)COC(C)C,CCC(O)OC(C)COC(C)COC(C)C,"InChI=1/C12H26O4/c1-6-12(13)16-11(5)8-15-10(4)7-14-9(2)3/h9-13H,6-8H2,1-5H3",C12H26O4,,,,,,XODAJVNOMMSMNU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.283,286-142-6,85187-51-5,Butylpiperidine,1-butylpiperidine,CCCCN1CCCCC1,CCCCN1CCCCC1,"InChI=1/C9H19N/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3",C9H19N,,,,,,AXWLKJWVMMAXBD-UHFFFAOYSA-N,,,,,,,,,,,
100.078.290,286-149-4,85187-62-8,"3-hexadecyl-1,1-bis(2-hydroxyethyl)urea","3-hexadecyl-1,1-bis(2-hydroxyethyl)urea",CCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO,CCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO,"InChI=1/C21H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-21(26)23(17-19-24)18-20-25/h24-25H,2-20H2,1H3,(H,22,26)",C21H44N2O3,,,,,,IXWWIWYEZFJLLD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.201,301-467-6,94021-76-8,"6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediylium dihydroxide","6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium dihydroxide",[OH-].[OH-].C1C[NH+]2C=CC=CC2=C3C=CC=C[NH+]13,[OH-].[OH-].C1C[NH+]2C=CC=CC2=C3C=CC=C[NH+]13,"InChI=1/C12H12N2.2H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H2",C12H12N2.2HO,,,,,,BYWHRDKVNBXYBG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.205,301-471-8,94021-80-4,"3,6,7-trimethyloct-2-en-1-yl acetate","3,6,7-trimethyloct-2-en-1-yl acetate",CC(C)C(C)CCC(C)=CCOC(C)=O,CC(C)C(C)CCC(C)=CCOC(C)=O,"InChI=1/C13H24O2/c1-10(2)12(4)7-6-11(3)8-9-15-13(5)14/h8,10,12H,6-7,9H2,1-5H3",C13H24O2,,,,,,XWJCHVWVBIZYBI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.206,301-472-3,94021-81-5,2-ethylundecyl acetate,2-ethylundecyl acetate,CCCCCCCCCC(CC)COC(=O)C,CCCCCCCCCC(CC)COC(=O)C,"InChI=1/C15H30O2/c1-4-6-7-8-9-10-11-12-15(5-2)13-17-14(3)16/h15H,4-13H2,1-3H3",C15H30O2,,,,,,KWUPPUGMLVAFFF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.207,301-473-9,94021-82-6,2-ethylundecyl formate,2-ethylundecyl formate,CCCCCCCCCC(CC)COC=O,CCCCCCCCCC(CC)COC=O,"InChI=1/C14H28O2/c1-3-5-6-7-8-9-10-11-14(4-2)12-16-13-15/h13-14H,3-12H2,1-2H3",C14H28O2,,,,,,UEOVEXIOAPBXAW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.210,301-477-0,94021-85-9,"Isobutyl 3,3-dimethylbutyrate","isobutyl 3,3-dimethylbutanoate",CC(C)COC(=O)CC(C)(C)C,CC(C)COC(=O)CC(C)(C)C,"InChI=1/C10H20O2/c1-8(2)7-12-9(11)6-10(3,4)5/h8H,6-7H2,1-5H3",C10H20O2,,,,,,FMJJFNNEPDJCSG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.217,301-484-9,94021-93-9,"7,11-dimethyldodecan-3-ol","7,11-dimethyldodecan-3-ol",CCC(O)CCCC(C)CCCC(C)C,CCC(O)CCCC(C)CCCC(C)C,"InChI=1/C14H30O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h12-15H,5-11H2,1-4H3",C14H30O,,,,,,FRUDUNOMFKEQDI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.219,301-487-5,94021-95-1,"6,10-dimethylundec-9-en-2-ol","6,10-dimethylundec-9-en-2-ol",CC(O)CCCC(C)CCC=C(C)C,CC(O)CCCC(C)CCC=C(C)C,"InChI=1/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12-14H,5-6,8-10H2,1-4H3",C13H26O,,,,,,FMVQVNCSZAWHFS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.221,301-489-6,94021-97-3,2-methyl-4-oxo-4H-pyran-3-yl isovalerate,2-methyl-4-oxo-4H-pyran-3-yl 3-methylbutanoate,CC(C)CC(=O)OC1=C(C)OC=CC1=O,CC(C)CC(=O)OC1=C(C)OC=CC1=O,"InChI=1/C11H14O4/c1-7(2)6-10(13)15-11-8(3)14-5-4-9(11)12/h4-5,7H,6H2,1-3H3",C11H14O4,,,,,,RUJFQPWLSZMPNC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.224,301-492-2,94022-00-1,Ethyl 3-(2-hydroxy-2-methylpropyl)-3-methyloxirane-2-carboxylate,ethyl 3-(2-hydroxy-2-methylpropyl)-3-methyloxirane-2-carboxylate (non-preferred name),CCOC(=O)C1OC1(C)CC(C)(C)O,CCOC(=O)C1OC1(C)CC(C)(C)O,"InChI=1/C10H18O4/c1-5-13-8(11)7-10(4,14-7)6-9(2,3)12/h7,12H,5-6H2,1-4H3",C10H18O4,,,,,,YHXGQNMELXJPKX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.234,301-504-6,94022-10-3,Tetraethyltellurium,"1,1',1'',1'''-lambda~4~-tellanetetrayltetraethane",CC[Te](CC)(CC)CC,CC[Te](CC)(CC)CC,"InChI=1/C8H20Te/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",C8H20Te,,,,,,DQDDCOQRISUFFK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.240,301-510-9,94022-16-9,"N-(2-aminoethyl)-N'-[2-[2-(13-henicosenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine","N-(2-aminoethyl)-N'-[2-(2-henicos-13-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCC=CCCCCCCCCCCCC\\C1=N\\CCN1CCNCCNCCN,CCCCCCCC=CCCCCCCCCCCCC\C1=N\CCN1CCNCCNCCN,"InChI=1/C30H61N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-34-27-29-35(30)28-26-33-25-24-32-23-22-31/h8-9,32-33H,2-7,10-29,31H2,1H3",C30H61N5,,,,,,AKWSSIYVRWKIEF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.242,301-513-5,94022-18-1,5-tert-butyl-2-cyclopentyl-m-cresol,5-tert-butyl-2-cyclopentyl-3-methylphenol,Cc1cc(cc(O)c1C2CCCC2)C(C)(C)C,Cc1cc(cc(O)c1C2CCCC2)C(C)(C)C,"InChI=1/C16H24O/c1-11-9-13(16(2,3)4)10-14(17)15(11)12-7-5-6-8-12/h9-10,12,17H,5-8H2,1-4H3",C16H24O,,,,,,SERZLZFBVGSYLP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.429,298-418-3,93804-43-4,"7-[[2-[(aminocarbonyl)amino]-4-[(2-bromo-1-oxoallyl)amino]phenyl]azo]naphthalene-1,3-disulphonic acid","7-({4-[(2-bromoacryloyl)amino]-2-(carbamoylamino)phenyl}diazenyl)naphthalene-1,3-disulfonic acid",BrC(=C)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O)c(c3)NC(N)=O,BrC(=C)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O)c(c3)NC(N)=O,"InChI=1/C20H16BrN5O8S2/c1-10(21)19(27)23-12-4-5-16(17(8-12)24-20(22)28)26-25-13-3-2-11-6-14(35(29,30)31)9-18(15(11)7-13)36(32,33)34/h2-9H,1H2,(H,23,27)(H3,22,24,28)(H,29,30,31)(H,32,33,34)",C20H16BrN5O8S2,,,,,,KWSPROJMTOWXAO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.436,298-426-7,93804-50-3,2-methyltridecyl acrylate,2-methyltridecyl acrylate,CCCCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C17H32O2/c1-4-6-7-8-9-10-11-12-13-14-16(3)15-19-17(18)5-2/h5,16H,2,4,6-15H2,1,3H3",C17H32O2,,,,,,UDPCWAFIJHHTNI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.439,298-429-3,93804-53-6,2-methylhexadecyl acrylate,2-methylhexadecyl acrylate,CCCCCCCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C20H38O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18-22-20(21)5-2/h5,19H,2,4,6-18H2,1,3H3",C20H38O2,,,,,,TZKZJBWLAVPBPR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.443,298-434-0,93804-57-0,N-cyclohexyl-N-methyl-D-gluconamide,"N-cyclohexyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide (non-preferred name)",CN(C1CCCCC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CN(C1CCCCC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C13H25NO6/c1-14(8-5-3-2-4-6-8)13(20)12(19)11(18)10(17)9(16)7-15/h8-12,15-19H,2-7H2,1H3",C13H25NO6,,,,,,NWATXGCIDLHPGR-WISYIIOYSA-N,,,,,,,,,,,
100.089.444,298-435-6,93804-58-1,N-sec-butyl-N-methyl-D-gluconamide,"N-sec-butyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide (non-preferred name)",CCC(C)N(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCC(C)N(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C11H23NO6/c1-4-6(2)12(3)11(18)10(17)9(16)8(15)7(14)5-13/h6-10,13-17H,4-5H2,1-3H3",C11H23NO6,,,,,,BRWJJCMXKXHBHJ-JOWTZPLGSA-N,,,,,,,,,,,
100.089.455,298-447-1,93804-69-4,Diethyl(2-hydroxy-3-tetradecyloxypropyl)[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"N-[2-(acryloyloxy)ethyl]-N,N-diethyl-2-hydroxy-3-(tetradecyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CCOC(=O)C=C,[Cl-].CCCCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CCOC(=O)C=C,"InChI=1/C26H52NO4.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-21-30-24-25(28)23-27(7-3,8-4)20-22-31-26(29)6-2;/h6,25,28H,2,5,7-24H2,1,3-4H3;1H/q+1;/p-1",C26H52NO4.Cl,,,,,,FGXGQSDIZUIGLU-UHFFFAOYSA-M,,,,,,,,,,,
100.089.456,298-448-7,93804-70-7,[3-(dodecyloxy)-2-hydroxypropyl]diethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"N-[2-(acryloyloxy)ethyl]-3-(dodecyloxy)-N,N-diethyl-2-hydroxypropan-1-aminium chloride",[Cl-].CCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CCOC(=O)C=C,[Cl-].CCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CCOC(=O)C=C,"InChI=1/C24H48NO4.ClH/c1-5-9-10-11-12-13-14-15-16-17-19-28-22-23(26)21-25(7-3,8-4)18-20-29-24(27)6-2;/h6,23,26H,2,5,7-22H2,1,3-4H3;1H/q+1;/p-1",C24H48NO4.Cl,,,,,,PDWXNMXQEKQSQA-UHFFFAOYSA-M,,,,,,,,,,,
100.089.458,298-450-8,93804-72-9,1-(hydroxymethyl)tridecyl methacrylate,1-(hydroxymethyl)tridecyl methacrylate,CCCCCCCCCCCCC(CO)OC(=O)C(=C)C,CCCCCCCCCCCCC(CO)OC(=O)C(=C)C,"InChI=1/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-17(15-19)21-18(20)16(2)3/h17,19H,2,4-15H2,1,3H3",C18H34O3,,,,,,DRSZLJIAYHKAOM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.873,300-007-1,93919-22-3,"2,2'-[[4-[(2-hydroxyethyl)amino]-2-nitrophenyl]imino]bisethanol","2,2'-({4-[(2-hydroxyethyl)amino]-2-nitrophenyl}imino)diethanol",OCCNc1ccc(N(CCO)CCO)c(c1)[N+](=O)[O-],OCCNc1ccc(N(CCO)CCO)c(c1)[N+](=O)[O-],"InChI=1/C12H19N3O5/c16-6-3-13-10-1-2-11(12(9-10)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2",C12H19N3O5,,,,,,YASCOZNFOIEAHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.376,302-761-7,94133-96-7,"Lactic acid, compound with ethylenediamine","2-hydroxypropanoic acid - ethane-1,2-diamine (1:1)",CC(O)C(=O)O.NCCN,CC(O)C(=O)O.NCCN,"InChI=1/C3H6O3.C2H8N2/c1-2(4)3(5)6;3-1-2-4/h2,4H,1H3,(H,5,6);1-4H2",C3H6O3.xC2H8N2,,,,,,YACBDNBLVKTAFI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.398,302-785-8,94134-18-6,2-methoxy-6-propylnaphthalene,2-methoxy-6-propylnaphthalene,CCCc1ccc2cc(OC)ccc2c1,CCCc1ccc2cc(OC)ccc2c1,"InChI=1/C14H16O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h5-10H,3-4H2,1-2H3",C14H16O,,,,,,DEMSTJLFNCGWTN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.403,302-791-0,94134-23-3,"2,4-di(allyloxy)-6-(tetradecyloxy)-1,3,5-triazine","2,4-bis(allyloxy)-6-(tetradecyloxy)-1,3,5-triazine",CCCCCCCCCCCCCCOc1nc(OCC=C)nc(OCC=C)n1,CCCCCCCCCCCCCCOc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C23H39N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-29-23-25-21(27-18-5-2)24-22(26-23)28-19-6-3/h5-6H,2-4,7-20H2,1H3",C23H39N3O3,,,,,,RFOILQBZYJVNMC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.405,302-793-1,94134-25-5,"3,3-dimethylbicyclo[2.2.1]hept-2-yl acetate","3,3-dimethylbicyclo[2.2.1]hept-2-yl acetate",CC(=O)OC1C2CCC(C2)C1(C)C,CC(=O)OC1C2CCC(C2)C1(C)C,"InChI=1/C11H18O2/c1-7(12)13-10-8-4-5-9(6-8)11(10,2)3/h8-10H,4-6H2,1-3H3",C13H22O2,,,,,,AIFCYJPQMNVEEG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.912,298-951-1,93840-84-7,"Ethyl 3-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)acrylate","ethyl 3-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)acrylate",CCOC(=O)\\C=C\\C1C(=CCC(C)C1(C)C)C,CCOC(=O)\C=C\C1C(=CCC(C)C1(C)C)C,"InChI=1/C15H24O2/c1-6-17-14(16)10-9-13-11(2)7-8-12(3)15(13,4)5/h7,9-10,12-13H,6,8H2,1-5H3",C15H24O2,,,,,,GJXNQRBVBFMDDP-MDZDMXLPSA-N,,,,,,,,,,,
100.089.917,298-956-9,93840-89-2,8-isopropyl-6-methylbicyclo[2.2.2]oct-5-ene-2-methanol,(8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl)methanol,CC(C)C1CC2C(CO)CC1C=C2C,CC(C)C1CC2C(CO)CC1C=C2C,"InChI=1/C13H22O/c1-8(2)12-6-13-9(3)4-10(12)5-11(13)7-14/h4,8,10-14H,5-7H2,1-3H3",C13H22O,,,,,,UWSBHNRCDGGXLB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.932,298-973-1,93841-04-4,Benzyltriphenylphosphonium phenolate,benzyl(triphenyl)phosphonium phenolate,[O-]c1ccccc1.C(c2ccccc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5,[O-]c1ccccc1.C(c2ccccc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5,"InChI=1/C25H22P.C6H6O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;7-6-4-2-1-3-5-6/h1-20H,21H2;1-5,7H/q+1;/p-1",C25H22P.C6H5O,,,,,,PVXOJLLWTFSXQR-UHFFFAOYSA-M,,,,,,,,,,,
100.078.559,286-445-3,85237-83-8,Butyl acetoxyacetate,butyl acetoxyacetate,CCCCOC(=O)COC(=O)C,CCCCOC(=O)COC(=O)C,"InChI=1/C8H14O4/c1-3-4-5-11-8(10)6-12-7(2)9/h3-6H2,1-2H3",C8H14O4,,,,,,GOSQVHOQDBHYGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.560,286-446-9,85237-84-9,"Butyl 2-hydroxy-5-methyl-4-oxohepta-2,5-dienoate","butyl 2-hydroxy-5-methyl-4-oxohepta-2,5-dienoate",O=C(C=C(O)C(=O)OCCCC)C(C)=CC,O=C(C=C(O)C(=O)OCCCC)C(C)=CC,"InChI=1/C12H18O4/c1-4-6-7-16-12(15)11(14)8-10(13)9(3)5-2/h5,8,14H,4,6-7H2,1-3H3",C12H18O4,,,,,,DVHRFWZHTSURSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.569,286-456-3,85248-83-5,(S)-1-benzoyl-2-oxo-5-(1-pyrrolidinylcarbonyl)pyrrolidine,1-benzoyl-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-2-one,O=C([C@@H]1CCC(=O)N1C(=O)c2ccccc2)N3CCCC3,O=C([C@@H]1CCC(=O)N1C(=O)c2ccccc2)N3CCCC3,"InChI=1/C16H18N2O3/c19-14-9-8-13(16(21)17-10-4-5-11-17)18(14)15(20)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2",C16H18N2O3,,,,,,UAJWPUQWJOYSIT-ZDUSSCGKSA-N,,,,,,,,,,,
100.078.580,286-468-9,85251-57-6,"1-Propanol, 2,3-dibromo-, phosphate, sodium salt",-,[Na+].[O-]P(=O)([O-])OCC(Br)CBr,[Na+].[O-]P(=O)([O-])OCC(Br)CBr,"InChI=1/C3H7Br2O4P.Na/c4-1-3(5)2-9-10(6,7)8;/h3H,1-2H2,(H2,6,7,8);/q;+1/p-2",-,,,,,,MQOQQYQMOFPXPX-UHFFFAOYSA-L,,,,,,,,,,,
100.089.959,299-002-4,93841-32-8,"Potassium 2-hydrazono-2,3-dihydro-3-methylbenzothiazole-4-sulphonate monohydrochloride","potassium 2-hydrazono-3-methyl-2,3-dihydro-1,3-benzothiazole-4-sulfonate hydrochloride",[K+].Cl.[O-]S(=O)(=O)c1cccc2SC(=NN)N(C)c12,[K+].Cl.[O-]S(=O)(=O)c1cccc2SC(=NN)N(C)c12,"InChI=1/C8H9N3O3S2.ClH.K/c1-11-7-5(15-8(11)10-9)3-2-4-6(7)16(12,13)14;;/h2-4H,9H2,1H3,(H,12,13,14);1H;/q;;+1/p-1",C8H9N3O3S2.ClH.K,,,,,,BGQYMYPEJXQXMT-UHFFFAOYSA-M,,,,,,,,,,,
100.089.963,299-007-1,93841-38-4,"5-(tert-butyl)-2,3-dihydro-2,2-dimethylbenzofuran-7-ol","5-tert-butyl-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol",CC(C)(C)c1cc(O)c2OC(C)(C)Cc2c1,CC(C)(C)c1cc(O)c2OC(C)(C)Cc2c1,"InChI=1/C14H20O2/c1-13(2,3)10-6-9-8-14(4,5)16-12(9)11(15)7-10/h6-7,15H,8H2,1-5H3",C14H20O2,,,,,,DNTDBYLWMUNDRX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.964,299-008-7,93841-39-5,"2,5-dicyclopentylhydroquinone","2,5-dicyclopentylbenzene-1,4-diol",Oc1cc(C2CCCC2)c(O)cc1C3CCCC3,Oc1cc(C2CCCC2)c(O)cc1C3CCCC3,"InChI=1/C16H22O2/c17-15-10-14(12-7-3-4-8-12)16(18)9-13(15)11-5-1-2-6-11/h9-12,17-18H,1-8H2",C16H22O2,,,,,,QJIKVNFRJLVHPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.971,299-016-0,93841-46-4,Dicyclooctylhydroquinone,"2,3-dicyclooctylbenzene-1,4-diol",Oc1ccc(O)c(C2CCCCCCC2)c1C3CCCCCCC3,Oc1ccc(O)c(C2CCCCCCC2)c1C3CCCCCCC3,"InChI=1/C22H34O2/c23-19-15-16-20(24)22(18-13-9-5-2-6-10-14-18)21(19)17-11-7-3-1-4-8-12-17/h15-18,23-24H,1-14H2",C22H34O2,,,,,,SXJGRKIPOFQDCT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.978,299-023-9,93841-53-3,"5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide","5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide",Br.Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13,Br.Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13,"InChI=1/C17H14N2O.BrH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;/h3-8,19-20H,1-2H3;1H",C17H14N2O.BrH,,,,,,VFVURWBESHQRSY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.984,299-030-7,93841-60-2,N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-N-methylacetamide,N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-N-methylacetamide,COc1ccc2[nH]c3c(C)c(CCN(C)C(=O)C)ccc3c2c1,COc1ccc2[nH]c3c(C)c(CCN(C)C(=O)C)ccc3c2c1,"InChI=1/C19H22N2O2/c1-12-14(9-10-21(3)13(2)22)5-7-16-17-11-15(23-4)6-8-18(17)20-19(12)16/h5-8,11,20H,9-10H2,1-4H3",C19H22N2O2,,,,,,AVOQHFGBRPLGTD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.988,299-034-9,93841-64-6,4-ethyl-2-tridecyl-2-oxazoline-4-methanol,"(4-ethyl-2-tridecyl-4,5-dihydro-1,3-oxazol-4-yl)methanol",CCCCCCCCCCCCCC1=NC(CC)(CO)CO1,CCCCCCCCCCCCCC1=NC(CC)(CO)CO1,"InChI=1/C19H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-20-19(4-2,16-21)17-22-18/h21H,3-17H2,1-2H3",C19H37NO2,,,,,,CZTMWKFITKPOPK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.991,299-038-0,93841-67-9,4-ethyl-2-(15-methylhexadecyl)-2-oxazoline-4-methanol,"[4-ethyl-2-(15-methylhexadecyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol",CCC1(CO)COC(=N1)CCCCCCCCCCCCCCC(C)C,CCC1(CO)COC(=N1)CCCCCCCCCCCCCCC(C)C,"InChI=1/C23H45NO2/c1-4-23(19-25)20-26-22(24-23)18-16-14-12-10-8-6-5-7-9-11-13-15-17-21(2)3/h21,25H,4-20H2,1-3H3",C23H45NO2,,,,,,AUOMWSWJGGLARG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.743,299-864-1,93917-84-1,"3,3'-methylenebis(4-hydroxybenzenesulphonic) acid","3,3'-methylenebis(4-hydroxybenzenesulfonic acid)",Oc1ccc(cc1Cc2cc(ccc2O)S(=O)(=O)O)S(=O)(=O)O,Oc1ccc(cc1Cc2cc(ccc2O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C13H12O8S2/c14-12-3-1-10(22(16,17)18)6-8(12)5-9-7-11(23(19,20)21)2-4-13(9)15/h1-4,6-7,14-15H,5H2,(H,16,17,18)(H,19,20,21)",C13H12O8S2,,,,,,ANDAIHNNGUNSPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.746,299-867-8,93917-87-4,Butyldodecylbis(2-hydroxyethyl)ammonium chloride,"N-butyl-N,N-bis(2-hydroxyethyl)dodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)CCCC,[Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)CCCC,"InChI=1/C20H44NO2.ClH/c1-3-5-7-8-9-10-11-12-13-14-16-21(17-19-22,18-20-23)15-6-4-2;/h22-23H,3-20H2,1-2H3;1H/q+1;/p-1",C20H44NO2.Cl,,,,,,WADNZJUGYHWZKN-UHFFFAOYSA-M,,,,,,,,,,,
100.090.749,299-870-4,93917-90-9,Allyldimethyl[3-[(1-oxooleyl)amino]propyl]ammonium chloride,"N,N-dimethyl-N-[3-(oleoylamino)propyl]prop-2-en-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC=C,[Cl-].CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC=C,"InChI=1/C26H50N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(29)27-23-21-25-28(3,4)24-6-2;/h6,13-14H,2,5,7-12,15-25H2,1,3-4H3;1H",C26H51N2O.Cl,,,,,,SWTDRLHUCDRWQO-HPWRNOGASA-N,,,,,,,,,,,
100.092.500,301-796-5,94070-96-9,"5-tert-butyloctahydro-4,7-methano-1H-inden-5-ol","5-tert-butyloctahydro-1H-4,7-methanoinden-5-ol",CC(C)(C)C1(O)CC2CC1C3CCCC23,CC(C)(C)C1(O)CC2CC1C3CCCC23,"InChI=1/C14H24O/c1-13(2,3)14(15)8-9-7-12(14)11-6-4-5-10(9)11/h9-12,15H,4-8H2,1-3H3",C14H24O,,,,,,OVTMMWBQALGBLP-UHFFFAOYSA-N,,,,,,,,,,,
100.091.934,301-173-8,93981-85-2,Cycloocten-1-yl acetate,cyclooct-1-en-1-yl acetate,CC(=O)OC1=CCCCCCC1,CC(=O)OC1=CCCCCCC1,"InChI=1/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h7H,2-6,8H2,1H3",C10H16O2,,,,,,GCKRQQJBNDAYRT-JXMROGBWSA-N,,,,,,,,,,,
100.091.936,301-175-9,93981-87-4,Chloro-12H-phthaloperin-12-one,"1-chloro-12H-isoindolo[2,1-a]perimidin-12-one",Clc1ccc2cccc3N=C4N(C(=O)c5ccccc45)c1c23,Clc1ccc2cccc3N=C4N(C(=O)c5ccccc45)c1c23,InChI=1/C18H9ClN2O/c19-13-9-8-10-4-3-7-14-15(10)16(13)21-17(20-14)11-5-1-2-6-12(11)18(21)22/h1-9H,C18H9ClN2O,,,,,,WCRBWWJATXDEHF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.939,301-179-0,93981-90-9,N-phenylstearamide hydrochloride,N-phenyloctadecanamide hydrochloride,Cl.CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1,Cl.CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1,"InChI=1/C24H41NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23;/h16-18,20-21H,2-15,19,22H2,1H3,(H,25,26);1H",C24H41NO.ClH,,,,,,WNUHMFCUYDJPFT-UHFFFAOYSA-N,,,,,,,,,,,
100.091.942,301-182-7,93981-94-3,1-(4-benzoyl-3-hydroxyphenyl)-2-methyl-2-propen-1-one,1-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-en-1-one,CC(=C)C(=O)c1ccc(C(=O)c2ccccc2)c(O)c1,CC(=C)C(=O)c1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C17H14O3/c1-11(2)16(19)13-8-9-14(15(18)10-13)17(20)12-6-4-3-5-7-12/h3-10,18H,1H2,2H3",C17H14O3,,,,,,CUFGUPRUGNTBBY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.950,301-191-6,93982-02-6,Octyl 2-hexyldecanoate,octyl 2-hexyldecanoate,CCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC,CCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC,"InChI=1/C24H48O2/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)24(25)26-22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3",C24H48O2,,,,,,BMEOCUNQVBHWRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.972,301-216-0,93982-25-3,2-methoxyanilinium nitrate,2-methoxyanilinium nitrate,COc1ccccc1[NH3+].[O-][N+](=O)[O-],COc1ccccc1[NH3+].[O-][N+](=O)[O-],"InChI=1/C7H9NO.NO3/c1-9-7-5-3-2-4-6(7)8;2-1(3)4/h2-5H,8H2,1H3;/q;-1/p+1",C7H9NO.HNO3,,,,,,ISFKJMJAVHYERV-UHFFFAOYSA-O,,,,,,,,,,,
100.091.976,301-220-2,93982-30-0,"Sodium 2,3,4-trichlorophenolate","sodium 2,3,4-trichlorophenolate",[Na+].[O-]c1ccc(Cl)c(Cl)c1Cl,[Na+].[O-]c1ccc(Cl)c(Cl)c1Cl,"InChI=1/C6H3Cl3O.Na/c7-3-1-2-4(10)6(9)5(3)8;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.Na,,,,,,YFPNAQYEHBHHHI-UHFFFAOYSA-M,,,,,,,,,,,
100.092.513,301-809-4,94071-09-7,Bismuth(3+) tris(2-propylvalerate),bismuth(3+) tris(2-propylpentanoate),[BiH3+3].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-],[BiH3+3].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-],"InChI=1/3C8H16O2.Bi.3H/c3*1-3-5-7(6-4-2)8(9)10;;;;/h3*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;+3;;;/p-3/r3C8H16O2.BiH3/c3*1-3-5-7(6-4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3/q;;;+3/p-3",C8H16O2.1/3Bi,,,,,,QJVJVICROBOLGY-UHFFFAOYSA-K,,,,,,,,,,,
100.092.516,301-813-6,94071-12-2,(Z)-hex-3-enyl 2-ethylbutyrate,hex-3-en-1-yl 2-ethylbutanoate,CC\\C=C/CCOC(=O)C(CC)CC,CC\C=C/CCOC(=O)C(CC)CC,"InChI=1/C12H22O2/c1-4-7-8-9-10-14-12(13)11(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3",C12H22O2,,,,,,LFDWLVXNYKQQBT-FPLPWBNLSA-N,,,,,,,,,,,
100.092.520,301-817-8,94071-17-7,6-(4-methylbenzoyl)pyridine-2-carbaldehyde,6-(4-methylbenzoyl)pyridine-2-carbaldehyde,Cc1ccc(cc1)C(=O)c2cccc(C=O)n2,Cc1ccc(cc1)C(=O)c2cccc(C=O)n2,"InChI=1/C14H11NO2/c1-10-5-7-11(8-6-10)14(17)13-4-2-3-12(9-16)15-13/h2-9H,1H3",C14H11NO2,,,,,,YTAHFGFCIMJWOR-UHFFFAOYSA-N,,,,,,,,,,,
100.092.521,301-818-3,94071-18-8,4-(hexyloxy)naphthalene-1-carboxamide,4-(hexyloxy)-1-naphthamide,CCCCCCOc1ccc(C(=O)N)c2ccccc12,CCCCCCOc1ccc(C(=O)N)c2ccccc12,"InChI=1/C17H21NO2/c1-2-3-4-7-12-20-16-11-10-15(17(18)19)13-8-5-6-9-14(13)16/h5-6,8-11H,2-4,7,12H2,1H3,(H2,18,19)",C17H21NO2,,,,,,QFYXNEUZWKCCEN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.480,300-673-3,93951-53-2,Tributyl(nonylphenoxy)stannane,tributyl(2-nonylphenoxy)stannane,CCCCCCCCCc1ccccc1O[Sn](CCCC)(CCCC)CCCC,CCCCCCCCCc1ccccc1O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C15H24O.3C4H9.Sn/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3*1-3-4-2;/h9-10,12-13,16H,2-8,11H2,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC27H50OSn/c1-5-9-13-14-15-16-17-20-26-21-18-19-22-27(26)28-29(23-10-6-2,24-11-7-3)25-12-8-4/h18-19,21-22H,5-17,20,23-25H2,1-4H3",C27H50OSn,,,,,,AUUCFFBDPSCYHT-UHFFFAOYSA-M,,,,,,,,,,,
100.091.487,300-681-7,93951-61-2,"6,13-dichloro-3,10-bis[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulphophenyl]amino]triphenodioxazine-4,11-disulphonic acid","6,13-dichloro-3,10-bis{[4-({4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl}amino)-2,5-disulfophenyl]amino}[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",OP(=O)(O)c1cccc(Nc2nc(Cl)nc(Nc3cc(c(Nc4ccc5N=C6C(=C7Oc8c(ccc(Nc9cc(c(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)(O)O)n%10)cc9S(=O)(=O)O)S(=O)(=O)O)c8S(=O)(=O)O)N=C7C(=C6Oc5c4S(=O)(=O)O)Cl)Cl)cc3S(=O)(=O)O)S(=O)(=O)O)n2)c1,OP(=O)(O)c1cccc(Nc2nc(Cl)nc(Nc3cc(c(Nc4ccc5N=C6C(=C7Oc8c(ccc(Nc9cc(c(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)(O)O)n%10)cc9S(=O)(=O)O)S(=O)(=O)O)c8S(=O)(=O)O)N=C7C(=C6Oc5c4S(=O)(=O)O)Cl)Cl)cc3S(=O)(=O)O)S(=O)(=O)O)n2)c1,"InChI=1/C48H32Cl4N14O26P2S6/c49-33-36-40(92-38-22(58-36)8-10-24(42(38)100(88,89)90)56-26-14-32(98(82,83)84)28(16-30(26)96(76,77)78)60-48-64-44(52)62-46(66-48)54-18-4-2-6-20(12-18)94(70,71)72)34(50)35-39(33)91-37-21(57-35)7-9-23(41(37)99(85,86)87)55-25-13-31(97(79,80)81)27(15-29(25)95(73,74)75)59-47-63-43(51)61-45(65-47)53-17-3-1-5-19(11-17)93(67,68)69/h1-16,55-56H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,59,61,63,65)(H2,54,60,62,64,66)",C48H32Cl4N14O26P2S6,,,,,,KVSSMMDSKZGFII-UHFFFAOYSA-N,,,,,,,,,,,
100.091.488,300-682-2,93951-63-4,"1-(2-aminoethyl)-2-(dimethylheptyl)-3-ethyl-4,5-dihydro-1H-imidazolium ethyl sulphate","1-(2-aminoethyl)-2-(1,1-dimethylheptyl)-3-ethylimidazolidin-1-ium ethyl sulfate",CCCCCCC(C)(C)C1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],CCCCCCC(C)(C)C1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],"InChI=1/C16H35N3.C2H6O4S/c1-5-7-8-9-10-16(3,4)15-18(6-2)13-14-19(15)12-11-17;1-2-6-7(3,4)5/h15H,5-14,17H2,1-4H3;2H2,1H3,(H,3,4,5)",C16H34N3.C2H5O4S,,,,,,RCAJPFMDFGRZOU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.489,300-683-8,93951-65-6,"1-(2-aminoethyl)-2-(dimethylheptyl)-4,5-dihydro-3-methyl-1H-imidazolium methyl sulphate","1-(2-aminoethyl)-2-(1,1-dimethylheptyl)-3-methylimidazolidin-1-ium methyl sulfate",CCCCCCC(C)(C)C1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],CCCCCCC(C)(C)C1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],"InChI=1/C15H33N3.CH4O4S/c1-5-6-7-8-9-15(2,3)14-17(4)12-13-18(14)11-10-16;1-5-6(2,3)4/h14H,5-13,16H2,1-4H3;1H3,(H,2,3,4)",C15H32N3.CH3O4S,,,,,,GUVUVMVZCZEZNF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.492,300-686-4,93962-51-7,"3-(4-chloro-2-methylphenyl)-1-triazene-1-carbonitrile, sodium salt",-,[Na+].Clc1cc(C)c(NN=NC#N)cc1,[Na+].Clc1cc(C)c(NN=NC#N)cc1,"InChI=1/C8H7ClN4.Na/c1-6-4-7(9)2-3-8(6)12-13-11-5-10;/h2-4H,1H3,(H,11,12);/q;+1",C8H7ClN4.Na,,,,,,GFHGJEHZZZQHEO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.496,300-691-1,93962-55-1,"[(4-chloro-2,5-dimethoxyphenyl)thio]acetic acid","[(4-chloro-2,5-dimethoxyphenyl)sulfanyl]acetic acid",COc1cc(SCC(=O)O)c(OC)cc1Cl,COc1cc(SCC(=O)O)c(OC)cc1Cl,"InChI=1/C10H11ClO4S/c1-14-7-4-9(16-5-10(12)13)8(15-2)3-6(7)11/h3-4H,5H2,1-2H3,(H,12,13)",C10H11ClO4S,,,,,,VRRGRVBJGRIZGA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.762,302-085-2,94088-82-1,"Tris(1-methylethyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate","triisopropyl 2-acetoxypropane-1,2,3-tricarboxylate",CC(C)OC(=O)CC(CC(=O)OC(C)C)(OC(=O)C)C(=O)OC(C)C,CC(C)OC(=O)CC(CC(=O)OC(C)C)(OC(=O)C)C(=O)OC(C)C,"InChI=1/C17H28O8/c1-10(2)22-14(19)8-17(25-13(7)18,16(21)24-12(5)6)9-15(20)23-11(3)4/h10-12H,8-9H2,1-7H3",C17H28O8,,,,,,USDPICIEGXFKEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.764,302-087-3,94088-84-3,Hexadecyl 6-methylheptanoate,hexadecyl 6-methylheptanoate,CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C,CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C,"InChI=1/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-24(25)21-18-17-20-23(2)3/h23H,4-22H2,1-3H3",C24H48O2,,,,,,OIKBVOIOVNEVJR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.622,298-631-1,93820-51-0,"Retinol, 7,10-dihydro-10-hydroxy-, acetate","O~15~-acetyl-10-hydroxy-7,10-dihydroretinol",CC(=O)OC\\C=C(/C)\\C=CC(O)\\C(=C\\CC1=C(C)CCCC1(C)C)\\C,CC(=O)OC\C=C(/C)\C=CC(O)\C(=C\CC1=C(C)CCCC1(C)C)\C,"InChI=1/C22H34O3/c1-16(13-15-25-19(4)23)9-12-21(24)18(3)10-11-20-17(2)8-7-14-22(20,5)6/h9-10,12-13,21,24H,7-8,11,14-15H2,1-6H3",-,,,,,,YRSRWAVBXGMWEI-QDYWNKSBSA-N,,,,,,,,,,,
100.091.253,300-424-9,93940-30-8,"Methyl 2-[[2-[(3,7-dimethyl-6-octenyl)oxy]ethylidene]amino]benzoate","methyl 2-({2-[(3,7-dimethyloct-6-en-1-yl)oxy]ethylidene}amino)benzoate",COC(=O)c1ccccc1N=CCOCCC(C)CC\\C=C(/C)C,COC(=O)c1ccccc1N=CCOCCC(C)CC\C=C(/C)C,"InChI=1/C20H29NO3/c1-16(2)8-7-9-17(3)12-14-24-15-13-21-19-11-6-5-10-18(19)20(22)23-4/h5-6,8,10-11,13,17H,7,9,12,14-15H2,1-4H3",C20H29NO3,,,,,,SXANTGZGHBDWBX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.256,300-428-0,93940-33-1,"N-(2,4-dichlorophenyl)-ß-methylpiperidin-1-propionamide monohydrochloride","N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide hydrochloride",Cl.CC(CC(=O)Nc1ccc(Cl)cc1Cl)N2CCCCC2,Cl.CC(CC(=O)Nc1ccc(Cl)cc1Cl)N2CCCCC2,"InChI=1/C15H20Cl2N2O.ClH/c1-11(19-7-3-2-4-8-19)9-15(20)18-14-6-5-12(16)10-13(14)17;/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20);1H",C15H20Cl2N2O.ClH,,,,,,ABPFCLBHEOJRTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.409,302-797-3,94134-29-9,Bis[2-hydroxy-3-[4-(oxiranylmethoxy)butoxy]propyl] azelate,bis{2-hydroxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propyl} azelaate,OC(COCCCCOCC1CO1)COC(=O)CCCCCCCC(=O)OCC(O)COCCCCOCC2CO2,OC(COCCCCOCC1CO1)COC(=O)CCCCCCCC(=O)OCC(O)COCCCCOCC2CO2,"InChI=1/C29H52O12/c30-24(16-34-12-6-8-14-36-20-26-22-38-26)18-40-28(32)10-4-2-1-3-5-11-29(33)41-19-25(31)17-35-13-7-9-15-37-21-27-23-39-27/h24-27,30-31H,1-23H2",C29H52O12,,,,,,KKPLFCFDTANTRW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.359,300-541-5,93941-92-5,Benzyldimethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride,"2-(acryloyloxy)-N-benzyl-N,N-dimethylpropan-1-aminium chloride",[Cl-].CC(C[N+](C)(C)Cc1ccccc1)OC(=O)C=C,[Cl-].CC(C[N+](C)(C)Cc1ccccc1)OC(=O)C=C,"InChI=1/C15H22NO2.ClH/c1-5-15(17)18-13(2)11-16(3,4)12-14-9-7-6-8-10-14;/h5-10,13H,1,11-12H2,2-4H3;1H/q+1;/p-1",C15H22NO2.Cl,,,,,,PAASWQUUUXLYAI-UHFFFAOYSA-M,,,,,,,,,,,
100.091.369,300-552-5,93942-03-1,"N-[2-[(2-aminoethyl)amino]ethyl]octadeca-9,12-dienamide monoacetate","N-{2-[(2-aminoethyl)amino]ethyl}octadeca-9,12-dienamide acetate",O=C(NCCNCCN)CCCCCCCC=CCC=CCCCCC.CC(O)=O,O=C(NCCNCCN)CCCCCCCC=CCC=CCCCCC.CC(O)=O,"InChI=1/C22H43N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-2(3)4/h6-7,9-10,24H,2-5,8,11-21,23H2,1H3,(H,25,26);1H3,(H,3,4)",C22H43N3O.C2H4O2,,,,,,CJOWOZVNNOQBIN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.371,300-554-6,93942-05-3,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]dodecanamide monoacetate,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]dodecanamide acetate,CCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O,CCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O,"InChI=1/C18H40N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-17-16-21-15-14-20-13-12-19;1-2(3)4/h20-21H,2-17,19H2,1H3,(H,22,23);1H3,(H,3,4)",C18H40N4O.C2H4O2,,,,,,BDAXPZBSGOKZFC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.372,300-555-1,93942-06-4,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]myristamide monoacetate,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]tetradecanamide acetate,CCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O,CCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O,"InChI=1/C20H44N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)24-19-18-23-17-16-22-15-14-21;1-2(3)4/h22-23H,2-19,21H2,1H3,(H,24,25);1H3,(H,3,4)",C20H44N4O.C2H4O2,,,,,,WLQQXEVZSFTGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.087.560,296-359-8,92505-73-2,"[2,2'-dimethyl[1,1'-biphenyl]-4,4'-diyl]diammonium sulphate","2,2'-dimethylbiphenyl-4,4'-diaminium sulfate",Cc1cc([NH3+])ccc1c2ccc([NH3+])cc2C.[O-]S(=O)(=O)[O-],Cc1cc([NH3+])ccc1c2ccc([NH3+])cc2C.[O-]S(=O)(=O)[O-],"InChI=1/C14H16N2.H2O4S/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;1-5(2,3)4/h3-8H,15-16H2,1-2H3;(H2,1,2,3,4)",C14H16N2.H2O4S,,,,,,FHSDJMQCUQJUAE-UHFFFAOYSA-N,,,,,,,,,,,
100.087.562,296-361-9,92552-31-3,5-benzyl-2-methylbenzoxazole,"5-benzyl-2-methyl-1,3-benzoxazole",Cc1oc2ccc(Cc3ccccc3)cc2n1,Cc1oc2ccc(Cc3ccccc3)cc2n1,"InChI=1/C15H13NO/c1-11-16-14-10-13(7-8-15(14)17-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3",C15H13NO,,,,,,QJPSBMDBZCLZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.087.565,296-365-0,92612-69-6,4-[(4-isocyanatocyclohexyl)methyl]-o-tolylisocyanate,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methylbenzene,Cc1cc(CC2CCC(CC2)N=C=O)ccc1N=C=O,Cc1cc(CC2CCC(CC2)N=C=O)ccc1N=C=O,"InChI=1/C16H18N2O2/c1-12-8-14(4-7-16(12)18-11-20)9-13-2-5-15(6-3-13)17-10-19/h4,7-8,13,15H,2-3,5-6,9H2,1H3",C16H18N2O2,,,,,,OXKKRUDDTDMSAF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.477,298-471-2,93804-92-3,"5-oxo-L-proline, compound with 2-amino-2-deoxy-D-glucose (1:1)",5-oxo-L-proline - 2-amino-2-deoxy-D-glucose (1:1),N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)[C@@H]1CCC(=O)N1,N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H13NO5.C5H7NO3/c7-3(1-8)5(11)6(12)4(10)2-9;7-4-2-1-3(6-4)5(8)9/h1,3-6,9-12H,2,7H2;3H,1-2H2,(H,6,7)(H,8,9)",C6H13NO5.C5H7NO3,,,,,,RLBLQOIEGKSRGT-BCLLBKCYSA-N,,,,,,,,,,,
100.089.490,298-485-9,93805-05-1,2-methylquinoline-6-sulphonic acid,2-methylquinoline-6-sulfonic acid,Cc1ccc2cc(ccc2n1)S(=O)(=O)O,Cc1ccc2cc(ccc2n1)S(=O)(=O)O,"InChI=1/C10H9NO3S/c1-7-2-3-8-6-9(15(12,13)14)4-5-10(8)11-7/h2-6H,1H3,(H,12,13,14)",C10H9NO3S,,,,,,WTVFVAWTGKJRPC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.493,298-489-0,93805-08-4,Bis[(2-hydroxyethyl)(4-hydroxyphenyl)ammonium] sulphate,bis[4-hydroxy-N-(2-hydroxyethyl)anilinium] sulfate,OCC[NH2+]c1ccc(O)cc1.OCC[NH2+]c2ccc(O)cc2.[O-]S(=O)(=O)[O-],OCC[NH2+]c1ccc(O)cc1.OCC[NH2+]c2ccc(O)cc2.[O-]S(=O)(=O)[O-],"InChI=1/2C8H11NO2.H2O4S/c2*10-6-5-9-7-1-3-8(11)4-2-7;1-5(2,3)4/h2*1-4,9-11H,5-6H2;(H2,1,2,3,4)",C8H11NO2.1/2H2O4S,,,,,,NHRASMKGFSHAOT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.414,302-802-9,94134-35-7,"3-(o-chlorobenzyl)-4,5-dimethylthiazolium chloride","3-(2-chlorobenzyl)-4,5-dimethyl-1,3-thiazol-3-ium chloride",[Cl-].Cc1sc[n+](Cc2ccccc2Cl)c1C,[Cl-].Cc1sc[n+](Cc2ccccc2Cl)c1C,"InChI=1/C12H13ClNS.ClH/c1-9-10(2)15-8-14(9)7-11-5-3-4-6-12(11)13;/h3-6,8H,7H2,1-2H3;1H/q+1;/p-1",C12H13ClNS.Cl,,,,,,DYVHVSJBKHJSJA-UHFFFAOYSA-M,,,,,,,,,,,
100.093.415,302-803-4,94134-36-8,"2-ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid","2-ethoxy-5-(3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c2ccc(OCC)c(c2)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c2ccc(OCC)c(c2)S(=O)(=O)O,"InChI=1/C28H46N2O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22-28(31)30(29-24)25-20-21-26(35-4-2)27(23-25)36(32,33)34/h20-21,23H,3-19,22H2,1-2H3,(H,32,33,34)",C28H46N2O5S,,,,,,MBDGSYNKUXTZRA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.992,299-039-6,93841-68-0,"2-(15-methylhexadecyl)-2-oxazoline-4,4-dimethanol","[2-(15-methylhexadecyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol",CC(C)CCCCCCCCCCCCCCC1=NC(CO)(CO)CO1,CC(C)CCCCCCCCCCCCCCC1=NC(CO)(CO)CO1,"InChI=1/C22H43NO3/c1-20(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-23-22(17-24,18-25)19-26-21/h20,24-25H,3-19H2,1-2H3",C22H43NO3,,,,,,LLLDDDDBYVCSGR-UHFFFAOYSA-N,,,,,,,,,,,
100.078.753,286-658-1,85305-20-0,"2,4,6-tris[1-(methylphenyl)ethyl]phenol","2,4,6-tris[1-(2-methylphenyl)ethyl]phenol",CC(c1cc(C(C)c2ccccc2C)c(O)c(c1)C(C)c3ccccc3C)c4ccccc4C,CC(c1cc(C(C)c2ccccc2C)c(O)c(c1)C(C)c3ccccc3C)c4ccccc4C,"InChI=1/C33H36O/c1-21-13-7-10-16-28(21)24(4)27-19-31(25(5)29-17-11-8-14-22(29)2)33(34)32(20-27)26(6)30-18-12-9-15-23(30)3/h7-20,24-26,34H,1-6H3",C33H36O,,,,,,ZTULFNZHLNQJQG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.994,299-041-7,93841-70-4,"[2-henicosyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl]methyl docosanoate","[2-henicosyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl docosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1(CO)COC(=N1)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1(CO)COC(=N1)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C48H93NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46-49-48(43-50,44-52-46)45-53-47(51)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50H,3-45H2,1-2H3",C48H93NO4,,,,,,MZMIGGKGVCIIDX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.644,300-854-7,93964-07-9,N-(2-ethylhexyl)-1-[[2-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine,N-(2-ethylhexyl)-1-({2-methyl-4-[(4-methylphenyl)diazenyl]phenyl}diazenyl)naphthalen-2-amine,Cc1ccc(cc1)N=Nc4ccc(N=Nc2c3ccccc3ccc2NCC(CC)CCCC)c(C)c4,Cc1ccc(cc1)N=Nc4ccc(N=Nc2c3ccccc3ccc2NCC(CC)CCCC)c(C)c4,"InChI=1/C32H37N5/c1-5-7-10-25(6-2)22-33-31-19-15-26-11-8-9-12-29(26)32(31)37-36-30-20-18-28(21-24(30)4)35-34-27-16-13-23(3)14-17-27/h8-9,11-21,25,33H,5-7,10,22H2,1-4H3",C32H37N5,,,,,,VPHFOJAMECRLDV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.647,300-857-3,93964-10-4,1-[(2-ethylhexyl)amino]-4-[(3-methoxypropyl)amino]anthraquinone,"1-[(2-ethylhexyl)amino]-4-[(3-methoxypropyl)amino]-9,10-anthraquinone",CCCCC(CC)CNc1ccc(NCCCOC)c2C(=O)c3ccccc3C(=O)c12,CCCCC(CC)CNc1ccc(NCCCOC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C26H34N2O3/c1-4-6-10-18(5-2)17-28-22-14-13-21(27-15-9-16-31-3)23-24(22)26(30)20-12-8-7-11-19(20)25(23)29/h7-8,11-14,18,27-28H,4-6,9-10,15-17H2,1-3H3",C26H34N2O3,,,,,,HNLGXHVPWQHLBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.648,300-858-9,93964-11-5,1-[(3-methoxypropyl)amino]-4-(methylamino)anthraquinone,"1-[(3-methoxypropyl)amino]-4-(methylamino)-9,10-anthraquinone",CNc1ccc(NCCCOC)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(NCCCOC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C19H20N2O3/c1-20-14-8-9-15(21-10-5-11-24-2)17-16(14)18(22)12-6-3-4-7-13(12)19(17)23/h3-4,6-9,20-21H,5,10-11H2,1-2H3",C19H20N2O3,,,,,,IUEBRWKNLMXYOE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.649,300-859-4,93964-12-6,"1,4-bis[(3-methoxypropyl)amino]anthraquinone","1,4-bis[(3-methoxypropyl)amino]-9,10-anthraquinone",COCCCNc1ccc(NCCCOC)c2C(=O)c3ccccc3C(=O)c12,COCCCNc1ccc(NCCCOC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C22H26N2O4/c1-27-13-5-11-23-17-9-10-18(24-12-6-14-28-2)20-19(17)21(25)15-7-3-4-8-16(15)22(20)26/h3-4,7-10,23-24H,5-6,11-14H2,1-2H3",C22H26N2O4,,,,,,BUXFGXZGTHYNIB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.654,300-865-7,93964-17-1,Trisodium 2-[2-(4-amino-2-sulphonatophenyl)vinyl]-5-[[4-[(4-sulphonatophenyl)azo]-1-naphthyl]-NNO-azoxy]benzenesulphonate,trisodium 5-amino-2-{2-[2-sulfonato-4-({4-[(4-sulfonatophenyl)diazenyl]-1-naphthyl}-NNO-azoxy)phenyl]vinyl}benzenesulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N)ccc5/C=C/c1ccc(cc1S([O-])(=O)=O)[N+](\\[O-])=N/c4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3ccccc34,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5cc(N)ccc5/C=C/c1ccc(cc1S([O-])(=O)=O)[N+](\[O-])=N/c4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3ccccc34,"InChI=1/C30H23N5O10S3.3Na/c31-21-9-7-19(29(17-21)47(40,41)42)5-6-20-8-12-23(18-30(20)48(43,44)45)35(36)34-28-16-15-27(25-3-1-2-4-26(25)28)33-32-22-10-13-24(14-11-22)46(37,38)39;;;/h1-18H,31H2,(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",C30H23N5O10S3.3Na,,,,,,NQNJXUUATOMTPK-ALIUDPAPSA-K,,,,,,,,,,,
100.078.765,286-671-2,85327-13-5,"2'-[benzyl(cyclohexyl)amino]-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-[benzyl(cyclohexyl)amino]-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(Cc6ccccc6)C7CCCCC7)c1,CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(Cc6ccccc6)C7CCCCC7)c1,"InChI=1/C37H38N2O3/c1-3-38(4-2)28-19-21-32-35(24-28)41-34-22-20-29(23-33(34)37(32)31-18-12-11-17-30(31)36(40)42-37)39(27-15-9-6-10-16-27)25-26-13-7-5-8-14-26/h5,7-8,11-14,17-24,27H,3-4,6,9-10,15-16,25H2,1-2H3",C37H38N2O3,,,,,,MEMPWOSQQAPWBU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.756,298-778-1,93839-08-8,"Di(octadec-9-enyl) hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","dioctadec-9-en-1-yl hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OP(=O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC,OCCN(CCO)CCO.OP(=O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C36H71O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h17-20H,3-16,21-36H2,1-2H3,(H,37,38);8-10H,1-6H2",C36H71O4P.C6H15NO3,,,,,,BCIXRYWZVNSFHO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.524,301-822-5,94071-21-3,2-decyl-3-hydroxytetradecanoic acid,2-decyl-3-hydroxytetradecanoic acid,CCCCCCCCCCCC(O)C(CCCCCCCCCC)C(=O)O,CCCCCCCCCCCC(O)C(CCCCCCCCCC)C(=O)O,"InChI=1/C24H48O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)22(24(26)27)20-18-16-14-12-10-8-6-4-2/h22-23,25H,3-21H2,1-2H3,(H,26,27)",C24H48O3,,,,,,NRUVALJAGRJLKU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.543,301-842-4,94086-54-1,Zinc octadecylbenzenesulphonate,zinc bis(2-octadecylbenzenesulfonate),[Zn+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C24H42O3S.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27;/h2*18-19,21-22H,2-17,20H2,1H3,(H,25,26,27);/q;;+2/p-2",C24H40O3S.1/2Zn,,,,,,YCFMFWQDRBVJCH-UHFFFAOYSA-L,,,,,,,,,,,
100.092.545,301-845-0,94086-57-4,"3-(phosphonooxy)-1,2-propanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate]","3-(phosphonooxy)propane-1,2-diyl bisoctadeca-9,12,15-trienoate",CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC\\C=C/C\\C=C/C\\C=C/CC,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1/C39H65O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37H,3-4,9-10,15-16,21-36H2,1-2H3,(H2,42,43,44)",C39H65O8P,,,,,,SCTIGCPAHAZQNF-YTWBPVBXSA-N,,,,,,,,,,,
100.092.548,301-848-7,94086-60-9,Disodium (tetrapropenyl)succinate,disodium tetraprop-1-en-1-ylsuccinate,[Na+].[Na+].[O-]C(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C([O-])=O,[Na+].[Na+].[O-]C(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C([O-])=O,"InChI=1/C16H22O4.2Na/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2",C16H28O4.2Na,,,,,,KOHOFWNHOIRZQM-UHFFFAOYSA-L,,,,,,,,,,,
100.091.982,301-227-0,93982-38-8,"5H-dibenzo[3,4:9,10]piceno[12,13,14,1-bcdefgh]carbazole-5,9(7H)-dione","5H-dibenzo[3,4:9,10]piceno[1,14,13,12-bcdefgh]carbazole-5,9(7H)-dione",O=C1c2ccccc2c3ccc4c5ccc6c7ccccc7C(=O)c8cc9[nH]c%10cc1c3c4c%10c9c5c68,O=C1c2ccccc2c3ccc4c5ccc6c7ccccc7C(=O)c8cc9[nH]c%10cc1c3c4c%10c9c5c68,"InChI=1/C34H15NO2/c36-33-21-7-3-1-5-15(21)17-9-11-19-20-12-10-18-16-6-2-4-8-22(16)34(37)24-14-26-32(30(20)28(18)24)31-25(35-26)13-23(33)27(17)29(19)31/h1-14,35H",C34H15NO2,,,,,,MVLAVTZMQXYBPE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.985,301-230-7,93982-41-3,"3-[3-(allyloxy)hydroxypropoxy]propane-1,2-diol","3-[3-(allyloxy)-1-hydroxypropoxy]propane-1,2-diol",OCC(O)COC(O)CCOCC=C,OCC(O)COC(O)CCOCC=C,"InChI=1/C9H18O5/c1-2-4-13-5-3-9(12)14-7-8(11)6-10/h2,8-12H,1,3-7H2",C9H18O5,,,,,,YOAKRVNSFGYCEI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.988,301-233-3,93982-45-7,Diethyl[2-(2-hydroxyethoxy)ethyl]methylammonium methyl sulphate,"N,N-diethyl-2-(2-hydroxyethoxy)-N-methylethanaminium methyl sulfate",CC[N+](C)(CC)CCOCCO.COS(=O)(=O)[O-],CC[N+](C)(CC)CCOCCO.COS(=O)(=O)[O-],"InChI=1/C9H22NO2.CH4O4S/c1-4-10(3,5-2)6-8-12-9-7-11;1-5-6(2,3)4/h11H,4-9H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C9H22NO2.CH3O4S,,,,,,WAQZYPUNLFXSMM-UHFFFAOYSA-M,,,,,,,,,,,
100.091.989,301-234-9,93982-46-8,"2,4,5-tri-O-dodecyl-D-glucitol","2,4,5-tri-O-dodecyl-D-glucitol",CCCCCCCCCCCCO[C@@H](CO)[C@@H](O)[C@H](OCCCCCCCCCCCC)[C@@H](CO)OCCCCCCCCCCCC,CCCCCCCCCCCCO[C@@H](CO)[C@@H](O)[C@H](OCCCCCCCCCCCC)[C@@H](CO)OCCCCCCCCCCCC,"InChI=1/C42H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-46-39(37-43)41(45)42(48-36-33-30-27-24-21-18-15-12-9-6-3)40(38-44)47-35-32-29-26-23-20-17-14-11-8-5-2/h39-45H,4-38H2,1-3H3",C42H86O6,,,,,,DNRJFQQTUGFNFN-CVGILMMLSA-N,,,,,,,,,,,
100.091.991,301-237-5,93982-48-0,"Bis(4,5-diamino-2,4-dihydro-3-oxopyrazole) sulphate","4,5-diamino-2,4-dihydro-3H-pyrazol-3-one sulfate (2:1)",NC1C(=NNC1=O)N.NC2C(=NNC2=O)N.OS(=O)(=O)O,NC1C(=NNC1=O)N.NC2C(=NNC2=O)N.OS(=O)(=O)O,"InChI=1/2C3H6N4O.H2O4S/c2*4-1-2(5)6-7-3(1)8;1-5(2,3)4/h2*1H,4H2,(H2,5,6)(H,7,8);(H2,1,2,3,4)",C3H6N4O.1/2H2O4S,,,,,,AVMKZRXMTPIYBV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.993,301-239-6,93982-51-5,Disodium 4-sulphonatoanthranilate,disodium 2-amino-4-sulfonatobenzoate,[Na+].[Na+].Nc1cc(ccc1C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1cc(ccc1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C7H7NO5S.2Na/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10;;/h1-3H,8H2,(H,9,10)(H,11,12,13);;/q;2*+1/p-2",C7H7NO5S.2Na,,,,,,BVAIUJNIZFIRGB-UHFFFAOYSA-L,,,,,,,,,,,
100.091.999,301-245-9,93982-57-1,Isopropyl 1H-indole-1-propionate,isopropyl 3-(1H-indol-1-yl)propanoate,CC(C)OC(=O)CCn1ccc2ccccc12,CC(C)OC(=O)CCn1ccc2ccccc12,"InChI=1/C14H17NO2/c1-11(2)17-14(16)8-10-15-9-7-12-5-3-4-6-13(12)15/h3-7,9,11H,8,10H2,1-2H3",C14H17NO2,,,,,,XLELSJIIIGUXID-UHFFFAOYSA-N,,,,,,,,,,,
100.088.656,297-566-6,93642-68-3,"Dihydro-3-[3-(triethoxysilyl)propyl]furan-2,5-dione","3-[3-(triethoxysilyl)propyl]dihydrofuran-2,5-dione",CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,"InChI=1/C13H24O6Si/c1-4-16-20(17-5-2,18-6-3)9-7-8-11-10-12(14)19-13(11)15/h11H,4-10H2,1-3H3",C13H24O6Si,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17384,https://echa.europa.eu/substance-information/-/substanceinfo/100.088.656,GXDMUOPCQNLBCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.505,299-602-6,93893-14-2,"[[(acetoxy)methyl]octahydro-4,7-methano-1H-indenyl]methyl acrylate","[1-(acetoxymethyl)octahydro-1H-4,7-methanoinden-1-yl]methyl acrylate",CC(=O)OCC1(COC(=O)C=C)CCC2C3CCC(C3)C12,CC(=O)OCC1(COC(=O)C=C)CCC2C3CCC(C3)C12,"InChI=1/C17H24O4/c1-3-15(19)21-10-17(9-20-11(2)18)7-6-14-12-4-5-13(8-12)16(14)17/h3,12-14,16H,1,4-10H2,2H3",C17H24O4,,,,,,OVFUMSCEVVSWKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.271,300-444-8,93940-48-8,4-hydroxy-7-[[[[5-hydroxy-6-[(4-methyl-3-sulphophenyl)azo]-7-sulpho-2-naphthyl]amino]carbonyl]amino]-3-(phenylazo)naphthalene-2-sulphonic acid,4-hydroxy-7-[({5-hydroxy-6-[(4-methyl-3-sulfophenyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-(phenyldiazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(C)c(c5)S(O)(=O)=O)c6O)S(O)(=O)=O,OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(C)c(c5)S(O)(=O)=O)c6O)S(O)(=O)=O,"InChI=1/C34H26N6O12S3/c1-18-7-8-24(17-27(18)53(44,45)46)38-40-31-29(55(50,51)52)16-20-14-23(10-12-26(20)33(31)42)36-34(43)35-22-9-11-25-19(13-22)15-28(54(47,48)49)30(32(25)41)39-37-21-5-3-2-4-6-21/h2-17,41-42H,1H3,(H2,35,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)",C34H26N6O12S3,,,,,,WHROGSYIXXKQAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.273,300-446-9,93940-50-2,"Sodium 4-[(4-amino-9,10-dihydro-3-hydroxy-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate","sodium 2-[(4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzenesulfonate",[Na+].Cc1ccc(Nc2cc(O)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)[O-],[Na+].Cc1ccc(Nc2cc(O)c(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)[O-],"InChI=1/C21H16N2O6S.Na/c1-10-6-7-13(16(8-10)30(27,28)29)23-14-9-15(24)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26;/h2-9,23-24H,22H2,1H3,(H,27,28,29);/q;+1/p-1",C21H16N2O6S.Na,,,,,,YGJIKHLXGNXSOL-UHFFFAOYSA-M,,,,,,,,,,,
100.091.283,300-457-9,93940-60-4,S-methyl 2-propoxypropanethioate,S-methyl 2-propoxypropanethioate,CCCOC(C)C(=O)SC,CCCOC(C)C(=O)SC,"InChI=1/C7H14O2S/c1-4-5-9-6(2)7(8)10-3/h6H,4-5H2,1-3H3",C7H14O2S,,,,,,LCIGYKJDIBCNQK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.287,300-462-6,93940-64-8,5-[(3-chloro-o-tolyl)azo]quinolin-8-ol,5-[(3-chloro-2-methylphenyl)diazenyl]quinolin-8-ol,Clc3cccc(N=Nc1ccc(O)c2ncccc12)c3C,Clc3cccc(N=Nc1ccc(O)c2ncccc12)c3C,"InChI=1/C16H12ClN3O/c1-10-12(17)5-2-6-13(10)19-20-14-7-8-15(21)16-11(14)4-3-9-18-16/h2-9,21H,1H3",C16H12ClN3O,,,,,,BKPOSIBVVXFIPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.295,300-471-5,93940-72-8,"Tetrasodium 3-[[8-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-4-hydroxynaphthalene-1,5-disulphonate","tetrasodium 3-({8-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-hydroxy-3,6-disulfonato-2-naphthyl}diazenyl)-4-hydroxynaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc5nc(Nc4cc(cc3cc(c(N=Nc2cc(c1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].[Na+].Nc5nc(Nc4cc(cc3cc(c(N=Nc2cc(c1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C23H16ClN7O14S4.4Na/c24-21-27-22(25)29-23(28-21)26-11-6-9(46(34,35)36)4-8-5-15(49(43,44)45)18(20(33)16(8)11)31-30-12-7-14(48(40,41)42)10-2-1-3-13(47(37,38)39)17(10)19(12)32;;;;/h1-7,32-33H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29);;;;/q;4*+1/p-4",C23H16ClN7O14S4.4Na,,,,,,XDGPWJHUSIIXQV-UHFFFAOYSA-J,,,,,,,,,,,
100.092.774,302-098-3,94088-96-7,N-[N-(chloroacetyl)-DL-leucyl]glycine,N-(chloroacetyl)-L-leucylglycine,CC(C)C[C@H](NC(=O)CCl)C(=O)NCC(=O)O,CC(C)C[C@H](NC(=O)CCl)C(=O)NCC(=O)O,"InChI=1/C10H17ClN2O4/c1-6(2)3-7(13-8(14)4-11)10(17)12-5-9(15)16/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)",C10H17ClN2O4,,,,,,GLNJBRSRENXZDO-ZETCQYMHSA-N,,,,,,,,,,,
100.092.775,302-099-9,94088-97-8,"2,3-dihydro-6-methyl-2-thioxo-(1H,8H)-pteridine-4,7-dione","6-methyl-2-sulfanylpteridine-4,7-diol",Cc1nc2c(O)nc(S)nc2nc1O,Cc1nc2c(O)nc(S)nc2nc1O,"InChI=1/C7H6N4O2S/c1-2-5(12)9-4-3(8-2)6(13)11-7(14)10-4/h1H3,(H3,9,10,11,12,13,14)",C7H6N4O2S,,,,,,JZIIMNMIDVPMED-UHFFFAOYSA-N,,,,,,,,,,,
100.092.781,302-106-5,94089-03-9,"2,7,7,9-tetramethyl-1,4-dioxaspiro[4.5]decane","2,7,7,9-tetramethyl-1,4-dioxaspiro[4.5]decane",CC1CC(C)(C)CC2(C1)OCC(C)O2,CC1CC(C)(C)CC2(C1)OCC(C)O2,"InChI=1/C12H22O2/c1-9-5-11(3,4)8-12(6-9)13-7-10(2)14-12/h9-10H,5-8H2,1-4H3",C12H22O2,,,,,,NYOLBDMJHMTDNC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.782,302-107-0,94089-04-0,"2,3,3-trimethylbicyclo[2.2.1]heptane-2-thiol","2,3,3-trimethylbicyclo[2.2.1]heptane-2-thiol",CC1(C)C2CCC(C2)C1(C)S,CC1(C)C2CCC(C2)C1(C)S,"InChI=1/C10H18S/c1-9(2)7-4-5-8(6-7)10(9,3)11/h7-8,11H,4-6H2,1-3H3",C10H18S,,,,,,DYSMZFZOVYDRLT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.783,302-108-6,94089-06-2,2-chloro-4-(diethylamino)benzaldehyde 2-naphthylphenylhydrazone,"3-chloro-N,N-diethyl-4-[2-naphthyl(phenyl)carbonohydrazonoyl]aniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3ccc4ccccc4c3)c(Cl)c1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3ccc4ccccc4c3)c(Cl)c1,"InChI=1/C27H26ClN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3",C27H26ClN3,,,,,,JYJPVYCAPONVFQ-ZTKZIYFRSA-N,,,,,,,,,,,
100.092.789,302-114-9,94089-12-0,2-chloro-4-(dimethylamino)benzaldehyde 2-naphthylphenylhydrazone,"3-chloro-N,N-dimethyl-4-[2-naphthyl(phenyl)carbonohydrazonoyl]aniline",CN(C)c1ccc(\\C=N\\N(c2ccccc2)c3ccc4ccccc4c3)c(Cl)c1,CN(C)c1ccc(\C=N\N(c2ccccc2)c3ccc4ccccc4c3)c(Cl)c1,"InChI=1/C25H22ClN3/c1-28(2)23-14-13-21(25(26)17-23)18-27-29(22-10-4-3-5-11-22)24-15-12-19-8-6-7-9-20(19)16-24/h3-18H,1-2H3",C25H22ClN3,,,,,,ATOUEWDTWJYPPQ-OVVQPSECSA-N,,,,,,,,,,,
100.092.792,302-118-0,94089-18-6,"4-[(3-acetoxypropyl)amino]-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate","4-[(3-acetoxypropyl)amino]-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate",CC(=O)OCCCNC(=O)C(OC(=O)C)C(C)(C)COC(=O)C,CC(=O)OCCCNC(=O)C(OC(=O)C)C(C)(C)COC(=O)C,"InChI=1/C15H25NO7/c1-10(17)21-8-6-7-16-14(20)13(23-12(3)19)15(4,5)9-22-11(2)18/h13H,6-9H2,1-5H3,(H,16,20)",C15H25NO7,,,,,,IFYVAPPYWOMVDP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.424,302-813-9,94134-45-9,"2-(1,1-dimethylethyl)cyclohexyl methacrylate",2-tert-butylcyclohexyl methacrylate,CC(=C)C(=O)OC1CCCCC1C(C)(C)C,CC(=C)C(=O)OC1CCCCC1C(C)(C)C,"InChI=1/C14H24O2/c1-10(2)13(15)16-12-9-7-6-8-11(12)14(3,4)5/h11-12H,1,6-9H2,2-5H3",C14H24O2,,,,,,YDLVSIHYCVMLPY-UHFFFAOYSA-N,,,,,,,,,,,
100.093.425,302-814-4,94134-46-0,4-isopropylcyclohexyl methacrylate,4-isopropylcyclohexyl methacrylate,CC(C)C1CCC(CC1)OC(=O)C(=C)C,CC(C)C1CCC(CC1)OC(=O)C(=C)C,"InChI=1/C13H22O2/c1-9(2)11-5-7-12(8-6-11)15-13(14)10(3)4/h9,11-12H,3,5-8H2,1-2,4H3",C13H22O2,,,,,,GLRAEAIZFHTQNI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.430,302-820-7,94134-51-7,"Tetrasodium 3-[[4-[[8-[[1-[(anilino)carbonyl]-2-oxopropyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 3-({4-[(1-hydroxy-8-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}-3,6-disulfonato-2-naphthyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cccc1c7cc(cc1S([O-])(=O)=O)N=Nc6ccc(N=Nc4c(cc3cc(cc(N=NC(C(C)=O)C(=O)Nc2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5ccccc56,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cccc1c7cc(cc1S([O-])(=O)=O)N=Nc6ccc(N=Nc4c(cc3cc(cc(N=NC(C(C)=O)C(=O)Nc2ccccc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5ccccc56,"InChI=1/C40H29N7O15S4.4Na/c1-21(48)37(40(50)41-23-8-3-2-4-9-23)46-45-32-20-25(63(51,52)53)16-22-17-35(66(60,61)62)38(39(49)36(22)32)47-44-31-15-14-30(26-10-5-6-11-27(26)31)43-42-24-18-29-28(34(19-24)65(57,58)59)12-7-13-33(29)64(54,55)56;;;;/h2-20,37,49H,1H3,(H,41,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C40H29N7O15S4.4Na,,,,,,KBRYLTBCMXFYQO-UHFFFAOYSA-J,,,,,,,,,,,
100.093.433,302-823-3,94134-54-0,(5-chloro-2-hydroxy-4-methylphenyl) (4-chlorophenyl) ketone,(5-chloro-2-hydroxy-4-methylphenyl)(4-chlorophenyl)methanone,Cc1cc(O)c(cc1Cl)C(=O)c2ccc(Cl)cc2,Cc1cc(O)c(cc1Cl)C(=O)c2ccc(Cl)cc2,"InChI=1/C14H10Cl2O2/c1-8-6-13(17)11(7-12(8)16)14(18)9-2-4-10(15)5-3-9/h2-7,17H,1H3",C14H10Cl2O2,,,,,,QLDYVILRXZAYKD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.438,302-829-6,94134-59-5,"(4S-trans)-2-ethyl-2-methyl-1,3-dioxolane-4,5-dimethanol","(2-ethyl-2-methyl-1,3-dioxolane-4,5-diyl)dimethanol",CCC1(C)O[C@@H](CO)[C@H](CO)O1,CCC1(C)O[C@@H](CO)[C@H](CO)O1,"InChI=1/C8H16O4/c1-3-8(2)11-6(4-9)7(5-10)12-8/h6-7,9-10H,3-5H2,1-2H3",C8H16O4,,,,,,JIZFDENKQQMMQA-BQBZGAKWSA-N,,,,,,,,,,,
100.093.441,302-832-2,94134-62-0,2-[4-(hydroxyamino)phenyl]-1-octadecyl-1H-benzimidazole-5-sulphonic acid,2-[4-(hydroxyamino)phenyl]-1-octadecyl-1H-benzimidazole-5-sulfonic acid,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(NO)cc3,CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)O)c3ccc(NO)cc3,"InChI=1/C31H47N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-30-23-22-28(39(36,37)38)25-29(30)32-31(34)26-18-20-27(33-35)21-19-26/h18-23,25,33,35H,2-17,24H2,1H3,(H,36,37,38)",C31H47N3O4S,,,,,,CEMPPTOFZHZONA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.443,302-834-3,94134-64-2,"N-(2-chloro-4,5-dimethoxyphenyl)-a-[4-(hexadecyloxy)benzoyl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide","N-(2-chloro-4,5-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[4-(hexadecyloxy)phenyl]-3-oxopropanamide",CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)C(C(=O)Nc2cc(OC)c(OC)cc2Cl)n3cnc4N(C)C(=O)N(C)C(=O)c34,CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)C(C(=O)Nc2cc(OC)c(OC)cc2Cl)n3cnc4N(C)C(=O)N(C)C(=O)c34,"InChI=1/C40H54ClN5O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-53-29-22-20-28(21-23-29)36(47)34(38(48)43-31-26-33(52-5)32(51-4)25-30(31)41)46-27-42-37-35(46)39(49)45(3)40(50)44(37)2/h20-23,25-27,34H,6-19,24H2,1-5H3,(H,43,48)",C40H54ClN5O7,,,,,,VXCAQHXZOMRRMG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.449,302-841-1,94134-72-2,4-[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]-4-oxoisocrotonic acid,4-{bis[2-(stearoylamino)ethyl]amino}-4-oxobut-2-enoic acid,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)\\C=C/C(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)\C=C/C(=O)O,"InChI=1/C44H83N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(48)45-37-39-47(43(50)35-36-44(51)52)40-38-46-42(49)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-40H2,1-2H3,(H,45,48)(H,46,49)(H,51,52)",C44H83N3O5,,,,,,CPSMCDQRTMYVMW-KXYMVQBMSA-N,,,,,,,,,,,
100.091.374,300-557-2,93942-08-6,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]stearamide monoacetate,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]octadecanamide acetate,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O,"InChI=1/C24H52N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h26-27H,2-23,25H2,1H3,(H,28,29);1H3,(H,3,4)",C24H52N4O.C2H4O2,,,,,,ZPHYJDBFRAZJAL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.258,301-530-8,94022-34-1,4-oxo-4H-pyran-3-yl isobutyrate,4-oxo-4H-pyran-3-yl 2-methylpropanoate,CC(C)C(=O)OC1=COC=CC1=O,CC(C)C(=O)OC1=COC=CC1=O,"InChI=1/C9H10O4/c1-6(2)9(11)13-8-5-12-4-3-7(8)10/h3-6H,1-2H3",C9H10O4,,,,,,PVKKITURLYACSF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.757,298-779-7,93839-10-2,"Hexadecyl octadec-9-enyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","hexadecyl octadec-9-en-1-yl hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.O=P(O)(OCCCCCCCCCCCCCCCC)OCCCCCCCCC=CCCCCCCCC,OCCN(CCO)CCO.O=P(O)(OCCCCCCCCCCCCCCCC)OCCCCCCCCC=CCCCCCCCC,"InChI=1/C34H69O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38-39(35,36)37-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h17,19H,3-16,18,20-34H2,1-2H3,(H,35,36);8-10H,1-6H2",C34H69O4P.C6H15NO3,,,,,,KKMJPVRBIHKHNP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.761,298-783-9,93839-14-6,"2,4-dichloro-6-methoxyaniline","2,4-dichloro-6-methoxyaniline",COc1cc(Cl)cc(Cl)c1N,COc1cc(Cl)cc(Cl)c1N,"InChI=1/C7H7Cl2NO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3",C7H7Cl2NO,,,,,,NMGHEOHOYKBWEM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.762,298-784-4,93839-15-7,"(5,6-dichloro-2-methylbenzimidazol-1-yl)-ethyl acetate","1-(5,6-dichloro-2-methyl-1H-benzimidazol-1-yl)ethyl acetate",CC(OC(=O)C)n1c(C)nc2cc(Cl)c(Cl)cc12,CC(OC(=O)C)n1c(C)nc2cc(Cl)c(Cl)cc12,"InChI=1/C12H12Cl2N2O2/c1-6-15-11-4-9(13)10(14)5-12(11)16(6)7(2)18-8(3)17/h4-5,7H,1-3H3",C12H12Cl2N2O2,,,,,,DEJNOMZPSDBIBP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.768,298-791-2,93839-21-5,N-[4-(aminocarbonyl)phenyl]-4-nitrobenzamide,N-(4-carbamoylphenyl)-4-nitrobenzamide,NC(=O)c1ccc(NC(=O)c2ccc(cc2)[N+](=O)[O-])cc1,NC(=O)c1ccc(NC(=O)c2ccc(cc2)[N+](=O)[O-])cc1,"InChI=1/C14H11N3O4/c15-13(18)9-1-5-11(6-2-9)16-14(19)10-3-7-12(8-4-10)17(20)21/h1-8H,(H2,15,18)(H,16,19)",C14H11N3O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5404,https://echa.europa.eu/substance-information/-/substanceinfo/100.089.768,FANLHXKNWWSLIG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.769,298-792-8,93839-22-6,"4,5-dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium methyl sulphate","3-methyl-2-[3-(3-methyl-1,3-thiazolidin-2-ylidene)prop-1-en-1-yl]-4,5-dihydro-1,3-thiazol-3-ium methyl sulfate",CN2CCSC2=CC=CC=1SCC[N+]=1C.[O-]S(=O)(=O)OC,CN2CCSC2=CC=CC=1SCC[N+]=1C.[O-]S(=O)(=O)OC,"InChI=1/C11H17N2S2.CH4O4S/c1-12-6-8-14-10(12)4-3-5-11-13(2)7-9-15-11;1-5-6(2,3)4/h3-5H,6-9H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C11H17N2S2.CH3O4S,,,,,,GWUOMGWFFISCCU-UHFFFAOYSA-M,,,,,,,,,,,
100.089.780,298-805-7,93839-35-1,N-(2-aminoethyl)-N-octylethylenediamine,"N-(2-aminoethyl)-N-octylethane-1,2-diamine",CCCCCCCCN(CCN)CCN,CCCCCCCCN(CCN)CCN,"InChI=1/C12H29N3/c1-2-3-4-5-6-7-10-15(11-8-13)12-9-14/h2-14H2,1H3",C12H29N3,,,,,,NAPBLZKQMLMWHK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.783,298-808-3,93839-38-4,"N-(2-aminoethyl)-N,N'-dioctylethylenediamine acetate","N-(2-aminoethyl)-N,N'-dioctylethane-1,2-diamine acetate",CCCCCCCCNCCN(CCN)CCCCCCCC.CC(=O)O,CCCCCCCCNCCN(CCN)CCCCCCCC.CC(=O)O,"InChI=1/C20H45N3.C2H4O2/c1-3-5-7-9-11-13-16-22-17-20-23(19-15-21)18-14-12-10-8-6-4-2;1-2(3)4/h22H,3-21H2,1-2H3;1H3,(H,3,4)",C20H45N3.xC2H4O2,,,,,,BOOBJJPWEQETHY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.686,300-900-6,93964-54-6,"4-[bis[4-(diethylamino)-2-hydroxyphenyl]methyl]benzene-1,3-disulphonic acid","4-{bis[4-(diethylamino)-2-hydroxyphenyl]methyl}benzene-1,3-disulfonic acid",CCN(CC)c1ccc(C(c2ccc(cc2O)N(CC)CC)c3ccc(cc3S(=O)(=O)O)S(=O)(=O)O)c(O)c1,CCN(CC)c1ccc(C(c2ccc(cc2O)N(CC)CC)c3ccc(cc3S(=O)(=O)O)S(=O)(=O)O)c(O)c1,"InChI=1/C27H34N2O8S2/c1-5-28(6-2)18-9-12-21(24(30)15-18)27(22-13-10-19(16-25(22)31)29(7-3)8-4)23-14-11-20(38(32,33)34)17-26(23)39(35,36)37/h9-17,27,30-31H,5-8H2,1-4H3,(H,32,33,34)(H,35,36,37)",C27H34N2O8S2,,,,,,QTURCYIFHGKXSB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.687,300-901-1,93964-55-7,5-[(3-carboxy-4-chlorophenyl)azo]salicylic acid,5-[(3-carboxy-4-chlorophenyl)diazenyl]-2-hydroxybenzoic acid,O=C(O)c1cc(ccc1Cl)N=Nc2cc(C(O)=O)c(O)cc2,O=C(O)c1cc(ccc1Cl)N=Nc2cc(C(O)=O)c(O)cc2,"InChI=1/C14H9ClN2O5/c15-11-3-1-7(5-9(11)13(19)20)16-17-8-2-4-12(18)10(6-8)14(21)22/h1-6,18H,(H,19,20)(H,21,22)",C14H9ClN2O5,,,,,,DGIVHDSCMQYEDB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.690,300-904-8,93964-58-0,"Disodium hydrogen 5-[[4'-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate","disodium hydrogen 5-({4'-[(8-amino-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-2-hydroxybenzoate",[H+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)c(OC)c5,[H+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)c(OC)c5,"InChI=1/C31H25N5O12S2.2Na.H2/c1-47-25-10-15(3-6-22(25)34-33-18-5-8-24(37)20(13-18)31(39)40)16-4-7-23(26(11-16)48-2)35-36-29-27(50(44,45)46)12-17-9-19(49(41,42)43)14-21(32)28(17)30(29)38;;;/h3-14,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)(H,44,45,46);;;1H/q;3*+1/p-3",C31H25N5O12S2.2Na,,,,,,MTHZRBOSKSDRHC-UHFFFAOYSA-L,,,,,,,,,,,
100.091.691,300-905-3,93964-59-1,"5-[[4'-[[8-[[2,4-dihydroxy-3-[(2-methoxy-5-sulphophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulpho-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylic acid","5-[(4'-{[8-({2,4-dihydroxy-3-[(2-methoxy-5-sulfophenyl)diazenyl]phenyl}diazenyl)-1-hydroxy-3,6-disulfo-2-naphthyl]diazenyl}-3,3'-dimethoxybiphenyl-4-yl)diazenyl]-2-hydroxybenzoic acid",OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S(O)(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S(O)(=O)=O)c5O)S(O)(=O)=O)c(OC)c7,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S(O)(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S(O)(=O)=O)c5O)S(O)(=O)=O)c(OC)c7,"InChI=1/C44H34N8O18S3/c1-68-35-13-7-25(71(59,60)61)19-31(35)49-51-40-34(54)12-10-30(42(40)55)48-50-32-20-26(72(62,63)64)14-23-17-38(73(65,66)67)41(43(56)39(23)32)52-47-29-9-5-22(16-37(29)70-3)21-4-8-28(36(15-21)69-2)46-45-24-6-11-33(53)27(18-24)44(57)58/h4-20,53-56H,1-3H3,(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)",C44H34N8O18S3,,,,,,RXUKCQTWXBGTEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.508,299-605-2,93893-18-6,Diammonium scandium pentanitrate,diammonium scandium pentanitrate,[NH4+].[NH4+].[Sc+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Sc+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/5NO3.2H3N.Sc/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2,H3N.5/2HNO3.1/2Sc,,,,,,RLHMPSXCOOXJEG-UHFFFAOYSA-P,,,,,,,,,,,
100.090.509,299-606-8,93893-19-7,Diammonium samarium pentanitrate,diammonium samarium pentanitrate,[NH4+].[NH4+].[Sm+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Sm+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/5NO3.2H3N.Sm/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+2/p+2,H3N.5/2HNO3.1/2Sm,,,,,,UJFKVLVSYQHFGS-UHFFFAOYSA-P,,,,,,,,,,,
100.090.513,299-611-5,93893-23-3,Trimagnesium dithulium dodecanitrate,trimagnesium dithulium dodecanitrate,[Mg+2].[Mg+2].[Mg+2].[Tm+3].[Tm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[Mg+2].[Mg+2].[Tm+3].[Tm+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3Mg.12NO3.2Tm/c;;;12*2-1(3)4;;/q3*+2;12*-1;2*+3,HNO3.1/4Mg.1/6Tm,,,,,,IBJUMUNRMHDVML-UHFFFAOYSA-N,,,,,,,,,,,
100.090.530,299-629-3,93893-41-5,"5-oxo-L-proline, compound with methylamine (1:1)",5-oxo-L-proline - methanamine (1:1),CN.OC(=O)[C@@H]1CCC(=O)N1,CN.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.CH5N/c7-4-2-1-3(6-4)5(8)9;1-2/h3H,1-2H2,(H,6,7)(H,8,9);2H2,1H3",C5H7NO3.CH5N,,,,,,CCMWQAMCVZZIKN-DFWYDOINSA-N,,,,,,,,,,,
100.092.556,301-857-6,94086-68-7,"Azelaic acid, compound with piperazine-1,4-diethanol","nonanedioic acid - 2,2'-piperazine-1,4-diyldiethanol (1:1)",OCCN1CCN(CCO)CC1.OC(=O)CCCCCCCC(=O)O,OCCN1CCN(CCO)CC1.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C8H18N2O2/c10-8(11)6-4-2-1-3-5-7-9(12)13;11-7-5-9-1-2-10(4-3-9)6-8-12/h1-7H2,(H,10,11)(H,12,13);11-12H,1-8H2",C9H16O4.xC8H18N2O2,,,,,,HEKPIWDFFDIPBX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.567,301-869-1,94086-79-0,"3-(4,5-dihydro-1H-imidazol-2-yl)aniline","3-(4,5-dihydro-1H-imidazol-2-yl)aniline",Nc1cccc(c1)C2=NCCN2,Nc1cccc(c1)C2=NCCN2,"InChI=1/C9H11N3/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5,10H2,(H,11,12)",C9H11N3,,,,,,HCJAVYDERMMIDO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.571,301-873-3,94086-83-6,4-hydroxy-7-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]naphthalene-2-sulphonic acid,4-hydroxy-7-[(4-{[(2-methoxyethoxy)carbonyl]amino}phenyl)amino]naphthalene-2-sulfonic acid,COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1,COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1,"InChI=1/C20H20N2O7S/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27)",C20H20N2O7S,,,,,,VENWPTHVICQAMM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.572,301-874-9,94086-84-7,Sodium 4-hydroxy-7-[4-[(2-methoxyethoxycarbonyl)amino]anilino]naphthalene-2-sulphonate,sodium 4-hydroxy-7-[(4-{[(2-methoxyethoxy)carbonyl]amino}phenyl)amino]naphthalene-2-sulfonate,[Na+].COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1,[Na+].COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1,"InChI=1/C20H20N2O7S.Na/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27;/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27);/q;+1/p-1",C20H20N2O7S.Na,,,,,,CPQGLDFUDXMDOR-UHFFFAOYSA-M,,,,,,,,,,,
100.092.573,301-875-4,94086-85-8,Potassium 4-hydroxy-7-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]naphthalene-2-sulphonate,potassium 4-hydroxy-7-[(4-{[(2-methoxyethoxy)carbonyl]amino}phenyl)amino]naphthalene-2-sulfonate,[K+].COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1,[K+].COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1,"InChI=1/C20H20N2O7S.K/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27;/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27);/q;+1/p-1",C20H20N2O7S.K,,,,,,WWSXUNHFFFGEME-UHFFFAOYSA-M,,,,,,,,,,,
100.092.582,301-885-9,94086-95-0,Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate,"2-(methacryloyloxy)-N,N,N-trimethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].CC(C[N+](C)(C)C)OC(=O)C(=C)C,COS(=O)(=O)[O-].CC(C[N+](C)(C)C)OC(=O)C(=C)C,"InChI=1/C10H20NO2.CH4O4S/c1-8(2)10(12)13-9(3)7-11(4,5)6;1-5-6(2,3)4/h9H,1,7H2,2-6H3;1H3,(H,2,3,4)/q+1;/p-1",C10H20NO2.CH3O4S,,,,,,TUMYMSZWMLOIRB-UHFFFAOYSA-M,,,,,,,,,,,
100.090.532,299-631-4,93893-43-7,"L-histidine, compound with 5-oxo-L-proline (1:1)",5-oxo-L-proline - L-histidine (1:1),N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)[C@@H]2CCC(=O)N2,N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C6H9N3O2.C5H7NO3/c7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3(6-4)5(8)9/h2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2H2,(H,6,7)(H,8,9)",C6H9N3O2.C5H7NO3,,,,,,MRBZBSMKMLFMCC-RVZXSAGBSA-N,,,,,,,,,,,
100.090.537,299-637-7,93893-48-2,"2-(1-butylheptyl)-1,3-dioxolane","2-(1-butylheptyl)-1,3-dioxolane",CCCCCCC(CCCC)C1OCCO1,CCCCCCC(CCCC)C1OCCO1,"InChI=1/C14H28O2/c1-3-5-7-8-10-13(9-6-4-2)14-15-11-12-16-14/h13-14H,3-12H2,1-2H3",C14H28O2,,,,,,ASWXTQMORHZYSL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.389,298-375-0,93803-99-7,3-methylbutyl methylbutyrate,3-methylbutyl 2-methylbutanoate,CCC(C)C(=O)OCCC(C)C,CCC(C)C(=O)OCCC(C)C,"InChI=1/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3",C10H20O2,,,,,,VGIRHYHLQKDEPP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.404,298-391-8,93804-17-2,"Adipic acid, compound with 2-(dimethylamino)ethyl methacrylate (1:2)",hexanedioic acid - 2-(dimethylamino)ethyl 2-methylacrylate (1:2),CN(C)CCOC(=O)C(=C)C.CN(C)CCOC(=O)C(=C)C.OC(=O)CCCCC(=O)O,CN(C)CCOC(=O)C(=C)C.CN(C)CCOC(=O)C(=C)C.OC(=O)CCCCC(=O)O,"InChI=1/2C8H15NO2.C6H10O4/c2*1-7(2)8(10)11-6-5-9(3)4;7-5(8)3-1-2-4-6(9)10/h2*1,5-6H2,2-4H3;1-4H2,(H,7,8)(H,9,10)",C8H15NO2.1/2C6H10O4,,,,,,FJRDMFYWLVDZDU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.409,298-397-0,93804-22-9,N-[3-[tris(octyloxy)silyl]propyl]ethylenediamine,"N-{3-[tris(octyloxy)silyl]propyl}ethane-1,2-diamine",CCCCCCCCO[Si](CCCNCCN)(OCCCCCCCC)OCCCCCCCC,CCCCCCCCO[Si](CCCNCCN)(OCCCCCCCC)OCCCCCCCC,"InChI=1/C29H64N2O3Si/c1-4-7-10-13-16-19-26-32-35(29-22-24-31-25-23-30,33-27-20-17-14-11-8-5-2)34-28-21-18-15-12-9-6-3/h31H,4-30H2,1-3H3",C29H64N2O3Si,,,,,,IIFQOFYIMRYCNC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.411,298-399-1,93804-24-1,Tris(dodecyloxy)[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane,tris(dodecyloxy)[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane,CCCCCCCCCCCCO[Si](CCC1CCC2OC2C1)(OCCCCCCCCCCCC)OCCCCCCCCCCCC,CCCCCCCCCCCCO[Si](CCC1CCC2OC2C1)(OCCCCCCCCCCCC)OCCCCCCCCCCCC,"InChI=1/C44H88O4Si/c1-4-7-10-13-16-19-22-25-28-31-37-45-49(40-36-42-34-35-43-44(41-42)48-43,46-38-32-29-26-23-20-17-14-11-8-5-2)47-39-33-30-27-24-21-18-15-12-9-6-3/h42-44H,4-41H2,1-3H3",C44H88O4Si,,,,,,QLSOVNMKHMDVDO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.417,298-405-2,93804-30-9,"Calcium naphthalene-2,6-disulphonate","calcium naphthalene-2,6-disulfonate",[Ca+2].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-],[Ca+2].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.Ca/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+2/p-2",C10H8O6S2.Ca,,,,,,LJYYUPYEVYMPLY-UHFFFAOYSA-L,,,,,,,,,,,
100.089.418,298-406-8,93804-31-0,"Potassium 9,10-dihydro-9,10-dioxo-5-nitroanthracene-1-sulphonate","potassium 5-nitro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[K+].[O-][N+](=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12,[K+].[O-][N+](=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12,"InChI=1/C14H7NO7S.K/c16-13-8-4-2-6-10(23(20,21)22)12(8)14(17)7-3-1-5-9(11(7)13)15(18)19;/h1-6H,(H,20,21,22);/q;+1/p-1",C14H7NO7S.K,,,,,,ZAFSYIDAMNIOID-UHFFFAOYSA-M,,,,,,,,,,,
100.089.421,298-409-4,93804-34-3,"3-[[3,3'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","3-({3,3'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid",O=S(=O)(Oc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S(O)(=O)=O)S(O)(=O)=O)c(C)c5)c6ccc(C)cc6,O=S(=O)(Oc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S(O)(=O)=O)S(O)(=O)=O)c(C)c5)c6ccc(C)cc6,"InChI=1/C37H30N4O10S3/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-8-28(9-11-29)38-39-33-16-6-25(18-23(33)2)26-7-17-34(24(3)19-26)40-41-36-35(53(46,47)48)21-27-20-31(52(43,44)45)14-15-32(27)37(36)42/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48)",C37H30N4O10S3,,,,,,RQUCHXISLVELAH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.832,299-961-9,93918-81-1,Ethyl[2-[(2-ethylhexyl)oxy]-2-oxoethyl][3-oxo-3-(tetradecyloxy)propyl]sulphonium tetrafluoroborate(1-),ethyl{2-[(2-ethylhexyl)oxy]-2-oxoethyl}[3-oxo-3-(tetradecyloxy)propyl]sulfonium tetrafluoroborate,CCCCCCCCCCCCCCOC(=O)CC[S+](CC)CC(=O)OCC(CC)CCCC.F[B-](F)(F)F,CCCCCCCCCCCCCCOC(=O)CC[S+](CC)CC(=O)OCC(CC)CCCC.F[B-](F)(F)F,"InChI=1/C29H57O4S.BF4/c1-5-9-11-12-13-14-15-16-17-18-19-20-23-32-28(30)22-24-34(8-4)26-29(31)33-25-27(7-3)21-10-6-2;2-1(3,4)5/h27H,5-26H2,1-4H3;/q+1;-1",C29H57O4S.BF4,,,,,,TYMDNIOTOCKBIV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.847,299-978-1,93918-96-8,"Sodium 5,10-dihydro-5,10-dioxo-1H-anthra[2,3-d]triazolesulphonate","sodium 5,10-dioxo-5,10-dihydro-1H-anthra[2,3-d][1,2,3]triazole-11-sulfonate",[Na+].[O-]S(=O)(=O)c1c2C(=O)c3ccccc3C(=O)c2cc4nn[nH]c14,[Na+].[O-]S(=O)(=O)c1c2C(=O)c3ccccc3C(=O)c2cc4nn[nH]c14,"InChI=1/C14H7N3O5S.Na/c18-12-6-3-1-2-4-7(6)13(19)10-8(12)5-9-11(16-17-15-9)14(10)23(20,21)22;/h1-5H,(H,15,16,17)(H,20,21,22);/q;+1/p-1",C14H7N3O5S.Na,,,,,,YTCHWUWXEISURO-UHFFFAOYSA-M,,,,,,,,,,,
100.090.852,299-983-9,93919-01-8,2-isopropyl-5-methylcyclohexyl stearate,2-isopropyl-5-methylcyclohexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC1CC(C)CCC1C(C)C,CCCCCCCCCCCCCCCCCC(=O)OC1CC(C)CCC1C(C)C,"InChI=1/C28H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-27-23-25(4)21-22-26(27)24(2)3/h24-27H,5-23H2,1-4H3",C28H54O2,,,,,,UFFYOHVNDSTCTL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.853,299-984-4,93919-02-9,Hexadecyl 16-methylheptadecanoate,hexadecyl 16-methylheptadecanoate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1/C34H68O2/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32-36-34(35)31-28-25-22-19-16-13-12-15-18-21-24-27-30-33(2)3/h33H,4-32H2,1-3H3",C34H68O2,,,,,,FBQVFXLUGAFMIO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.860,299-992-8,93919-09-6,3-(cyclopentylidene)cyclopentan-1-one,"1,1'-bi(cyclopentyliden)-3-one",O=C1CCC(=C2CCCC2)C1,O=C1CCC(=C2CCCC2)C1,InChI=1/C10H14O/c11-10-6-5-9(7-10)8-3-1-2-4-8/h1-7H2,C10H14O,,,,,,GIJRNBKPTAAZNP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.260,301-532-9,94022-36-3,4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-4-sulphophenyl)azo]-7-sulpho-2-naphthyl]amino]carbonyl]amino]-3-[(6-sulpho-2-naphthyl)azo]naphthalene-2-sulphonic acid,4-hydroxy-7-[({5-hydroxy-6-[(2-methoxy-4-sulfophenyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-[(6-sulfo-2-naphthyl)diazenyl]naphthalene-2-sulfonic acid,COc7cc(ccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S(O)(=O)=O)ccc5c6O)S(O)(=O)=O)S(O)(=O)=O,COc7cc(ccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S(O)(=O)=O)ccc5c6O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C38H28N6O16S4/c1-60-31-18-27(62(51,52)53)8-11-30(31)42-44-35-33(64(57,58)59)17-22-14-24(6-10-29(22)37(35)46)40-38(47)39-23-5-9-28-21(13-23)16-32(63(54,55)56)34(36(28)45)43-41-25-4-2-20-15-26(61(48,49)50)7-3-19(20)12-25/h2-18,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)",C38H28N6O16S4,,,,,,JIXKWIFUWFYHEF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.270,301-543-9,94022-47-6,Mercury thallium dinitrate,mercury thallium dinitrate,[Tl+].[Hg+].[O-][N+]([O-])=O.[O-][N+]([O-])=O,[Tl+].[Hg+].[O-][N+]([O-])=O.[O-][N+]([O-])=O,InChI=1/Hg.2NO3.Tl/c;2*2-1(3)4;/q+2;2*-1;+1,HNO3.1/2Hg.1/2Tl,,,,,,OZALHSZVLUGAIW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.272,301-546-5,94022-49-8,Disodium pentabromorhodate,disodium pentabromorhodate,[Na+].[Na+].Br[Rh-](Br)(Br)(Br)Br.Br[Rh-](Br)(Br)(Br)Br,[Na+].[Na+].Br[Rh-](Br)(Br)(Br)Br.Br[Rh-](Br)(Br)(Br)Br,"InChI=1/10BrH.2Na.2Rh/h10*1H;;;;/q;;;;;;;;;;2*+1;2*+5/p-10/r2Br5Rh.2Na/c2*1-6(2,3,4)5;;/q;;2*+1",Br5Rh.2Na,,,,,,VCIIDBIKONJMNK-UHFFFAOYSA-D,,,,,,,,,,,
100.087.612,296-417-2,92671-67-5,"1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate","3-isopropyl-8-methyl-1,5-dihydro[1,3]dioxepino[5,6-c]pyridin-9-yl acetate",CC(C)C1OCc2cnc(C)c(OC(=O)C)c2CO1,CC(C)C1OCc2cnc(C)c(OC(=O)C)c2CO1,"InChI=1/C14H19NO4/c1-8(2)14-17-6-11-5-15-9(3)13(19-10(4)16)12(11)7-18-14/h5,8,14H,6-7H2,1-4H3",C14H19NO4,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1643,https://echa.europa.eu/substance-information/-/substanceinfo/100.087.612,BINHDFHXALYLJN-UHFFFAOYSA-N,,,,,,,,,,,
100.087.615,296-420-9,92702-71-1,N-(1-oxo-2-phenylbutyl)-DL-methionine,N-(2-phenylbutanoyl)-L-methionine,CCC(C(=O)N[C@@H](CCSC)C(=O)O)c1ccccc1,CCC(C(=O)N[C@@H](CCSC)C(=O)O)c1ccccc1,"InChI=1/C15H21NO3S/c1-3-12(11-7-5-4-6-8-11)14(17)16-13(15(18)19)9-10-20-2/h4-8,12-13H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)",C15H21NO3S,,,,,,PPPZIKYQTYHWJF-ABLWVSNPSA-N,,,,,,,,,,,
100.093.457,302-850-0,94134-80-2,"2-(3,5-dimethylphenyl)ethyl isobutyrate","2-(3,5-dimethylphenyl)ethyl 2-methylpropanoate",CC(C)C(=O)OCCc1cc(C)cc(C)c1,CC(C)C(=O)OCCc1cc(C)cc(C)c1,"InChI=1/C14H20O2/c1-10(2)14(15)16-6-5-13-8-11(3)7-12(4)9-13/h7-10H,5-6H2,1-4H3",C14H20O2,,,,,,XZMQEOBINXEKCC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.459,302-852-1,94134-82-4,"3-(2-hydroxyethyl)-6,10,13-trioxa-3-azahexadecane-1,8,15,16-tetrol","3-(2-hydroxyethyl)-6,10,13-trioxa-3-azahexadecane-1,8,15,16-tetrol",OCCN(CCO)CCOCC(O)COCCOCC(O)CO,OCCN(CCO)CCOCC(O)COCCOCC(O)CO,"InChI=1/C14H31NO8/c16-4-1-15(2-5-17)3-6-21-11-14(20)12-23-8-7-22-10-13(19)9-18/h13-14,16-20H,1-12H2",C14H31NO8,,,,,,JWRVNBUIHXRZMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.467,302-861-0,94134-90-4,"N-(2,5-dichloropentyl)-3,4-dihydro-8-(N-methylsulphamoyl)-2H-1,5-benzodioxepin-6-carboxamide","N-(2,5-dichloropentyl)-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide",CNS(=O)(=O)c1cc2OCCCOc2c(c1)C(=O)NCC(Cl)CCCCl,CNS(=O)(=O)c1cc2OCCCOc2c(c1)C(=O)NCC(Cl)CCCCl,"InChI=1/C16H22Cl2N2O5S/c1-19-26(22,23)12-8-13(15-14(9-12)24-6-3-7-25-15)16(21)20-10-11(18)4-2-5-17/h8-9,11,19H,2-7,10H2,1H3,(H,20,21)",C16H22Cl2N2O5S,,,,,,WJPVGGFEQFHIDH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.471,302-865-2,94134-95-9,(17ß)-17-[[[4-(butoxycarbonyl)cyclohexyl]carbonyl]oxy]androst-4-en-3-one,"butyl 3-oxoandrost-4-en-17-yl cyclohexane-1,4-dicarboxylate",CCCCOC(=O)C1CCC(CC1)C(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,CCCCOC(=O)C1CCC(CC1)C(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C,"InChI=1/C31H46O5/c1-4-5-18-35-28(33)20-6-8-21(9-7-20)29(34)36-27-13-12-25-24-11-10-22-19-23(32)14-16-30(22,2)26(24)15-17-31(25,27)3/h19-21,24-27H,4-18H2,1-3H3",C31H46O5,,,,,,GNQXIHJIIJLHQI-YYAIDKQPSA-N,,,,,,,,,,,
100.093.483,302-878-3,94135-10-1,Pentyl 4-methylsalicylate,pentyl 2-hydroxy-4-methylbenzoate,CCCCCOC(=O)c1ccc(C)cc1O,CCCCCOC(=O)c1ccc(C)cc1O,"InChI=1/C13H18O3/c1-3-4-5-8-16-13(15)11-7-6-10(2)9-12(11)14/h6-7,9,14H,3-5,8H2,1-2H3",C13H18O3,,,,,,VVBBTBUELOAEDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.484,302-879-9,94135-11-2,2-hexyl-3-(2-oxopropyl)cyclopentan-1-one,2-hexyl-3-(2-oxopropyl)cyclopentanone,CCCCCCC1C(CC(=O)C)CCC1=O,CCCCCCC1C(CC(=O)C)CCC1=O,"InChI=1/C14H24O2/c1-3-4-5-6-7-13-12(10-11(2)15)8-9-14(13)16/h12-13H,3-10H2,1-2H3",C14H24O2,,,,,,GKRBJMBHXBOAAL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.490,302-886-7,94135-17-8,6-(dioctadecylamino)-6-oxohexanoic acid,6-(dioctadecylamino)-6-oxohexanoic acid,CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCCCC(=O)O,CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCCCC(=O)O,"InChI=1/C42H83NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43(41(44)37-33-34-38-42(45)46)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,45,46)",C42H83NO3,,,,,,CCURTKJJWYUDJV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.492,302-888-8,94135-19-0,"2,6-dimethylbenzene-1,3,5-triamine","2,4-dimethylbenzene-1,3,5-triamine",Cc1c(N)cc(N)c(C)c1N,Cc1c(N)cc(N)c(C)c1N,"InChI=1/C8H13N3/c1-4-6(9)3-7(10)5(2)8(4)11/h3H,9-11H2,1-2H3",C8H13N3,,,,,,GKZWSNRSZYTGJU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.824,286-737-0,85371-53-5,"2,2'-isopropylidenebis[4-(3,5,5-trimethylhexyl)phenol]","2,2'-propane-2,2-diylbis[4-(3,5,5-trimethylhexyl)phenol]",CC(CCc1ccc(O)c(c1)C(C)(C)c2cc(CCC(C)CC(C)(C)C)ccc2O)CC(C)(C)C,CC(CCc1ccc(O)c(c1)C(C)(C)c2cc(CCC(C)CC(C)(C)C)ccc2O)CC(C)(C)C,"InChI=1/C33H52O2/c1-23(21-31(3,4)5)11-13-25-15-17-29(34)27(19-25)33(9,10)28-20-26(16-18-30(28)35)14-12-24(2)22-32(6,7)8/h15-20,23-24,34-35H,11-14,21-22H2,1-10H3",C33H52O2,,,,,,AEDJBDRIBQPIFS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.835,286-749-6,85376-06-3,3-hydroxy-2-(hydroxymethyl)-2-methylpropyl laurate,3-hydroxy-2-(hydroxymethyl)-2-methylpropyl laurate,CCCCCCCCCCCC(=O)OCC(C)(CO)CO,CCCCCCCCCCCC(=O)OCC(C)(CO)CO,"InChI=1/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-16(20)21-15-17(2,13-18)14-19/h18-19H,3-15H2,1-2H3",C17H34O4,,,,,,GHEGJIFLIHDVPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.840,286-754-3,85391-02-2,"9-(dibutylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one","9'-(dibutylamino)-3H-spiro[2-benzofuran-1,12'-benzo[a]xanthen]-3-one",CCCCN(CCCC)c1ccc2c(Oc3ccc4ccccc4c3C25OC(=O)c6ccccc56)c1,CCCCN(CCCC)c1ccc2c(Oc3ccc4ccccc4c3C25OC(=O)c6ccccc56)c1,"InChI=1/C32H31NO3/c1-3-5-19-33(20-6-4-2)23-16-17-27-29(21-23)35-28-18-15-22-11-7-8-12-24(22)30(28)32(27)26-14-10-9-13-25(26)31(34)36-32/h7-18,21H,3-6,19-20H2,1-2H3",C32H31NO3,,,,,,PJHKDRUZMMAVQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.789,298-815-1,93839-44-2,"N'-[2-(dioctylamino)ethyl]-N,N-dioctylethylenediamine","N'-[2-(dioctylamino)ethyl]-N,N-dioctylethane-1,2-diamine",CCCCCCCCN(CCCCCCCC)CCNCCN(CCCCCCCC)CCCCCCCC,CCCCCCCCN(CCCCCCCC)CCNCCN(CCCCCCCC)CCCCCCCC,"InChI=1/C36H77N3/c1-5-9-13-17-21-25-31-38(32-26-22-18-14-10-6-2)35-29-37-30-36-39(33-27-23-19-15-11-7-3)34-28-24-20-16-12-8-4/h37H,5-36H2,1-4H3",C36H77N3,,,,,,QUXHOWGAZCYEGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.814,298-842-9,93839-71-5,4-[[(2-aminophenyl)methyl]amino]cyclohexyl acetate,4-[(2-aminobenzyl)amino]cyclohexyl acetate,CC(=O)OC1CCC(CC1)NCc2ccccc2N,CC(=O)OC1CCC(CC1)NCc2ccccc2N,"InChI=1/C15H22N2O2/c1-11(18)19-14-8-6-13(7-9-14)17-10-12-4-2-3-5-15(12)16/h2-5,13-14,17H,6-10,16H2,1H3",C13H20N2O.C2H4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11054,https://echa.europa.eu/substance-information/-/substanceinfo/100.089.814,VPLIJSLZFWAYSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.815,298-843-4,93839-72-6,"Disodium 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenolate S,S-dioxide","disodium 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenolate",[Na+].[Na+].[O-]c1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4,[Na+].[Na+].[O-]c1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4,"InChI=1/C19H14O5S.2Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;;/h1-12,20-21H;;/q;2*+1/p-2",C19H14O5S.2Na,,,,,,MOHAVYLIGBAZHR-UHFFFAOYSA-L,,,,,,,,,,,
100.089.819,298-848-1,93839-76-0,"Potassium 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate",potassium abiet-8-en-18-oate,[K+].CC(C)C1CCC2=C(CCC3C(C)(CCCC23C)C(=O)[O-])C1,[K+].CC(C)C1CCC2=C(CCC3C(C)(CCCC23C)C(=O)[O-])C1,"InChI=1/C20H32O2.K/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h13-14,17H,5-12H2,1-4H3,(H,21,22);/q;+1/p-1",C20H32O2.K,,,,,,VJYBVOKBJCKWGG-UHFFFAOYSA-M,,,,,,,,,,,
100.089.824,298-853-9,93839-81-7,N-[[1-(allyl)-2-pyrrolidinyl]methyl]-4-amino-2-methoxy-5-nitrobenzamide,N-[(1-allylpyrrolidin-2-yl)methyl]-4-amino-2-methoxy-5-nitrobenzamide,COc1cc(N)c(cc1C(=O)NCC2CCCN2CC=C)[N+](=O)[O-],COc1cc(N)c(cc1C(=O)NCC2CCCN2CC=C)[N+](=O)[O-],"InChI=1/C16H22N4O4/c1-3-6-19-7-4-5-11(19)10-18-16(21)12-8-14(20(22)23)13(17)9-15(12)24-2/h3,8-9,11H,1,4-7,10,17H2,2H3,(H,18,21)",C16H22N4O4,,,,,,CHGUNJWKILZSRU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.825,298-854-4,93839-82-8,4-amino-5-(ethylsulphonyl)-2-methoxy-N-(2-pyrrolidinylmethyl)benzamide,4-amino-5-(ethylsulfonyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide,CCS(=O)(=O)c1cc(C(=O)NCC2CCCN2)c(OC)cc1N,CCS(=O)(=O)c1cc(C(=O)NCC2CCCN2)c(OC)cc1N,"InChI=1/C15H23N3O4S/c1-3-23(20,21)14-7-11(13(22-2)8-12(14)16)15(19)18-9-10-5-4-6-17-10/h7-8,10,17H,3-6,9,16H2,1-2H3,(H,18,19)",C15H23N3O4S,,,,,,BEDJAYJKACGEHH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.692,300-906-9,93964-61-5,"5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(dimethylamino)phenyl]methyl]-3-methylsalicylic acid","5-{(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)[2-chloro-4-(dimethylamino)phenyl]methyl}-2-hydroxy-3-methylbenzoic acid",OC(=O)c1cc(cc(C)c1O)C(c2ccc(cc2Cl)N(C)C)=C/3/C=C(/C)C(=O)\\C(=C\\3)C(O)=O,OC(=O)c1cc(cc(C)c1O)C(c2ccc(cc2Cl)N(C)C)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O,"InChI=1/C25H22ClNO6/c1-12-7-14(9-18(22(12)28)24(30)31)21(17-6-5-16(27(3)4)11-20(17)26)15-8-13(2)23(29)19(10-15)25(32)33/h5-11,28H,1-4H3,(H,30,31)(H,32,33)",C25H22ClNO6,,,,,,AAMZDEGBAPMQAP-UHFFFAOYSA-N,,,,,,,,,,,
100.091.699,300-914-2,93964-68-2,3-(5-dibenzylamino-2-methoxyphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]phthalide,3-[5-(dibenzylamino)-2-methoxyphenyl]-3-[4-(diethylamino)-2-hydroxyphenyl]-2-benzofuran-1(3H)-one,CCN(CC)c1ccc(c(O)c1)C2(OC(=O)c3ccccc23)c4cc(ccc4OC)N(Cc5ccccc5)Cc6ccccc6,CCN(CC)c1ccc(c(O)c1)C2(OC(=O)c3ccccc23)c4cc(ccc4OC)N(Cc5ccccc5)Cc6ccccc6,"InChI=1/C39H38N2O4/c1-4-40(5-2)31-20-22-34(36(42)25-31)39(33-19-13-12-18-32(33)38(43)45-39)35-24-30(21-23-37(35)44-3)41(26-28-14-8-6-9-15-28)27-29-16-10-7-11-17-29/h6-25,42H,4-5,26-27H2,1-3H3",C39H38N2O4,,,,,,BPJOLTSOXBQBAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.541,299-641-9,93893-52-8,"5-bicyclo[2.2.1]hept-2-yl-2,4-dimethylpent-2-en-1-ol","5-bicyclo[2.2.1]hept-2-yl-2,4-dimethylpent-2-en-1-ol",CC(CO)=CC(C)CC2CC1CCC2C1,CC(CO)=CC(C)CC2CC1CCC2C1,"InChI=1/C14H24O/c1-10(5-11(2)9-15)6-14-8-12-3-4-13(14)7-12/h5,10,12-15H,3-4,6-9H2,1-2H3",C14H24O,,,,,,KMCINSLMWXHVPP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.542,299-642-4,93893-53-9,"Ethyl [2-(1,1-dimethylethyl)phenoxy]acetate",ethyl (2-tert-butylphenoxy)acetate,CCOC(=O)COc1ccccc1C(C)(C)C,CCOC(=O)COc1ccccc1C(C)(C)C,"InChI=1/C14H20O3/c1-5-16-13(15)10-17-12-9-7-6-8-11(12)14(2,3)4/h6-9H,5,10H2,1-4H3",C14H20O3,,,,,,ZGSKZKUYGQAKDH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.547,299-648-7,93893-58-4,5-amino-2-(o-tolyloxy)benzenesulphonic acid,5-amino-2-(2-methylphenoxy)benzenesulfonic acid,Cc1ccccc1Oc2ccc(N)cc2S(=O)(=O)O,Cc1ccccc1Oc2ccc(N)cc2S(=O)(=O)O,"InChI=1/C13H13NO4S/c1-9-4-2-3-5-11(9)18-12-7-6-10(14)8-13(12)19(15,16)17/h2-8H,14H2,1H3,(H,15,16,17)",C13H13NO4S,,,,,,XSPLXTVIPOKKOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.552,299-653-4,93893-63-1,"3-[(5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridyl)azo]-4-hydroxy-N-[3-(1-methylethoxy)propyl]benzenesulphonamide","3-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]-4-hydroxy-N-(3-isopropoxypropyl)benzenesulfonamide",O=C2NC(\\O)=C(\\C#N)C(\\C)=C2\\N=Nc1cc(ccc1O)S(=O)(=O)NCCCOC(C)C,O=C2NC(\O)=C(\C#N)C(\C)=C2\N=Nc1cc(ccc1O)S(=O)(=O)NCCCOC(C)C,"InChI=1/C19H23N5O6S/c1-11(2)30-8-4-7-21-31(28,29)13-5-6-16(25)15(9-13)23-24-17-12(3)14(10-20)18(26)22-19(17)27/h5-6,9,11,21,25H,4,7-8H2,1-3H3,(H2,22,26,27)",C19H23N5O6S,,,,,,MDVINIAHOVREQE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.553,299-655-5,93893-64-2,Methyl [7-hydroxy-8-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-1-naphthyl]-carbamate,methyl (7-hydroxy-8-{[2-hydroxy-5-(methylsulfonyl)phenyl]diazenyl}-1-naphthyl)carbamate,Oc3ccc(cc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)S(C)(=O)=O,Oc3ccc(cc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)S(C)(=O)=O,"InChI=1/C19H17N3O6S/c1-28-19(25)20-13-5-3-4-11-6-8-16(24)18(17(11)13)22-21-14-10-12(29(2,26)27)7-9-15(14)23/h3-10,23-24H,1-2H3,(H,20,25)",C19H17N3O6S,,,,,,ZPAXDLOKQDURNR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.555,299-657-6,93893-66-4,N-(2-cyanoethyl)-O-methyl-N-phenyl-ß-alanine monoacetate,methyl N-(2-cyanoethyl)-N-phenyl-beta-alaninate acetate,COC(=O)CCN(CCC#N)c1ccccc1.CC(=O)O,COC(=O)CCN(CCC#N)c1ccccc1.CC(=O)O,"InChI=1/C13H16N2O2.C2H4O2/c1-17-13(16)8-11-15(10-5-9-14)12-6-3-2-4-7-12;1-2(3)4/h2-4,6-7H,5,8,10-11H2,1H3;1H3,(H,3,4)",C13H16N2O2.C2H4O2,,,,,,GFRRNHZVFCFETR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.557,299-659-7,93893-68-6,"4,4'-methylenebis[6-(tert-butyl)-1,1,3,3-tetramethylindan-5-ol]","4,4'-methylenebis(6-tert-butyl-1,1,3,3-tetramethylindan-5-ol)",CC(C)(C)c1cc2c(c(Cc3c(O)c(cc4c3C(C)(C)CC4(C)C)C(C)(C)C)c1O)C(C)(C)CC2(C)C,CC(C)(C)c1cc2c(c(Cc3c(O)c(cc4c3C(C)(C)CC4(C)C)C(C)(C)C)c1O)C(C)(C)CC2(C)C,"InChI=1/C35H52O2/c1-30(2,3)24-16-22-26(34(11,12)18-32(22,7)8)20(28(24)36)15-21-27-23(33(9,10)19-35(27,13)14)17-25(29(21)37)31(4,5)6/h16-17,36-37H,15,18-19H2,1-14H3",C35H52O2,,,,,,YFVWRGVVIOMGGV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.559,299-661-8,93893-70-0,"2,2'-(2-methylpropylidene)bis[6-(2-methylpropyl)-p-cresol]","2,2'-(2-methylpropane-1,1-diyl)bis(6-isobutyl-4-methylphenol)",CC(C)Cc1cc(C)cc(C(C(C)C)c2cc(C)cc(CC(C)C)c2O)c1O,CC(C)Cc1cc(C)cc(C(C(C)C)c2cc(C)cc(CC(C)C)c2O)c1O,"InChI=1/C26H38O2/c1-15(2)9-20-11-18(7)13-22(25(20)27)24(17(5)6)23-14-19(8)12-21(26(23)28)10-16(3)4/h11-17,24,27-28H,9-10H2,1-8H3",C26H38O2,,,,,,IZVALQGISZYFAI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.566,299-669-1,93893-77-7,"2,2'-(2-methylpropylidene)bis[6-cyclopentyl-4-(1,1-dimethylethyl)phenol]","2,2'-(2-methylpropane-1,1-diyl)bis(4-tert-butyl-6-cyclopentylphenol)",CC(C)C(c1cc(cc(C2CCCC2)c1O)C(C)(C)C)c3cc(cc(C4CCCC4)c3O)C(C)(C)C,CC(C)C(c1cc(cc(C2CCCC2)c1O)C(C)(C)C)c3cc(cc(C4CCCC4)c3O)C(C)(C)C,"InChI=1/C34H50O2/c1-21(2)30(28-19-24(33(3,4)5)17-26(31(28)35)22-13-9-10-14-22)29-20-25(34(6,7)8)18-27(32(29)36)23-15-11-12-16-23/h17-23,30,35-36H,9-16H2,1-8H3",C34H50O2,,,,,,UQRAQGTURJVHCG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.569,299-672-8,93893-80-2,Benzyldiethyl[1-methyl-2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"1-(acryloyloxy)-N-benzyl-N,N-diethylpropan-2-aminium chloride",[Cl-].CC[N+](CC)(Cc1ccccc1)C(C)COC(=O)C=C,[Cl-].CC[N+](CC)(Cc1ccccc1)C(C)COC(=O)C=C,"InChI=1/C17H26NO2.ClH/c1-5-17(19)20-14-15(4)18(6-2,7-3)13-16-11-9-8-10-12-16;/h5,8-12,15H,1,6-7,13-14H2,2-4H3;1H/q+1;/p-1",C17H26NO2.Cl,,,,,,GATVKFLENXZRJT-UHFFFAOYSA-M,,,,,,,,,,,
100.090.572,299-675-4,93893-83-5,(2-hydroxypropyl)trimethylammonium methyl sulphate,"2-hydroxy-N,N,N-trimethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].CC(O)C[N+](C)(C)C,COS(=O)(=O)[O-].CC(O)C[N+](C)(C)C,"InChI=1/C6H16NO.CH4O4S/c1-6(8)5-7(2,3)4;1-5-6(2,3)4/h6,8H,5H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C6H16NO.CH3O4S,,,,,,VNWPKWADYDZYQR-UHFFFAOYSA-M,,,,,,,,,,,
100.092.593,301-899-5,94087-07-7,"Dodecahydro-4,4,5a-trimethylbenzo[3,4]cyclobuta[1,2-b]oxepin","4,4,5a-trimethyldodecahydrobenzo[3,4]cyclobuta[1,2-b]oxepine",CC1(C)CCOC2C3CCCCC3C2(C)C1,CC1(C)CCOC2C3CCCCC3C2(C)C1,"InChI=1/C15H26O/c1-14(2)8-9-16-13-11-6-4-5-7-12(11)15(13,3)10-14/h11-13H,4-10H2,1-3H3",C15H26O,,,,,,FBVVORSCLMYLCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.596,301-903-5,94087-10-2,"Tricosanoic acid, aluminium salt",-,[Al+3].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C23H46O2.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2-22H2,1H3,(H,24,25);/q;+3/p-1",C23H46O2.1/3Al,,,,,,WHAWRTJGVDALBI-UHFFFAOYSA-M,,,,,,,,,,,
100.090.867,300-000-3,93919-16-5,1-[2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]pyridinium hydroxide,1-[2-({2-chloro-4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethyl]pyridinium hydroxide,[OH-].[O-][N+](=O)c1ccc(cc1)N=Nc3ccc(NCC[n+]2ccccc2)c(Cl)c3,[OH-].[O-][N+](=O)c1ccc(cc1)N=Nc3ccc(NCC[n+]2ccccc2)c(Cl)c3,"InChI=1/C19H17ClN5O2.H2O/c20-18-14-16(23-22-15-4-7-17(8-5-15)25(26)27)6-9-19(18)21-10-13-24-11-2-1-3-12-24;/h1-9,11-12,14,21H,10,13H2;1H2/q+1;/p-1",C19H17ClN5O2.HO,,,,,,XSZIBTFYINILHQ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.870,300-004-5,93919-19-8,2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium hydroxide,"2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium hydroxide",[OH-].CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[OH-].CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C19H23N4O2S.H2O/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;/h5-10,13,24H,4,11-12H2,1-3H3;1H2/q+1;/p-1",C19H23N4O2S.HO,,,,,,PJNMVGPWPGXMQO-UHFFFAOYSA-M,,,,,,,,,,,
100.091.303,300-479-9,93940-80-8,"5-oxo-L-proline, compound with 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (1:1)","5-oxo-L-proline - 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (1:1)",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OC(=O)[C@@H]4CCC(=O)N4,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C20H21NO4.C5H7NO3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;7-4-2-1-3(6-4)5(8)9/h5-8,10-12H,9H2,1-4H3;3H,1-2H2,(H,6,7)(H,8,9)",C20H21NO4.C5H7NO3,,,,,,SCGVHSCPZIJMRO-HVDRVSQOSA-N,,,,,,,,,,,
100.091.306,300-483-0,93940-83-1,"5-oxo-L-proline, compound with strychnidin-10-one (1:1)",5-oxo-L-proline - strychnidin-10-one (1:1),OC(=O)[C@@H]1CCC(=O)N1.O=C2C[C@@H]3OCC=C4CN5CC[C@@]67[C@@H]5C[C@@H]4[C@@H]3[C@@H]6N2c8ccccc78,OC(=O)[C@@H]1CCC(=O)N1.O=C2C[C@@H]3OCC=C4CN5CC[C@@]67[C@@H]5C[C@@H]4[C@@H]3[C@@H]6N2c8ccccc78,"InChI=1/C21H22N2O2.C5H7NO3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;7-4-2-1-3(6-4)5(8)9/h1-5,13,16-17,19-20H,6-11H2;3H,1-2H2,(H,6,7)(H,8,9)",C21H22N2O2.C5H7NO3,,,,,,LMIHAZCWYZZICQ-OMCXQELQSA-N,,,,,,,,,,,
100.091.312,300-489-3,93940-91-1,4-bromo-3-methylpyrocatechol,"4-bromo-3-methylbenzene-1,2-diol",Cc1c(O)c(O)ccc1Br,Cc1c(O)c(O)ccc1Br,"InChI=1/C7H7BrO2/c1-4-5(8)2-3-6(9)7(4)10/h2-3,9-10H,1H3",C7H7BrO2,,,,,,SSIOQROWLGWJAH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.321,300-499-8,93941-00-5,"1,1'-[ethylidenebis(oxy)]bisoctane","1,1'-[ethane-1,1-diylbis(oxy)]dioctane",CCCCCCCCOC(C)OCCCCCCCC,CCCCCCCCOC(C)OCCCCCCCC,"InChI=1/C18H38O2/c1-4-6-8-10-12-14-16-19-18(3)20-17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3",C18H38O2,,,,,,BLHQIMUQSPLMSP-UHFFFAOYSA-N,,,,,,,,,,,
100.091.326,300-504-3,93941-05-0,"Trisodium 5-[[4-chloro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccccc4C)n5,[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccccc4C)n5,"InChI=1/C26H20ClN7O10S3.3Na/c1-13-6-2-3-7-16(13)28-25-30-24(27)31-26(32-25)29-18-12-15(45(36,37)38)10-14-11-20(47(42,43)44)22(23(35)21(14)18)34-33-17-8-4-5-9-19(17)46(39,40)41;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;/q;3*+1/p-3",C26H20ClN7O10S3.3Na,,,,,,SOCUBVOLHILNRE-UHFFFAOYSA-K,,,,,,,,,,,
100.091.331,300-510-6,93941-61-8,"Dihydrogen 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(sulphonatophenyl)phenazinium","5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-({8-[ethyl(3-sulfonatobenzyl)amino]-10-(2-sulfonatophenyl)phenazin-10-ium-2-yl}amino)benzenesulfonate",CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(OC)n6)cc5S(=O)(=O)[O-])cc4[n+](c7ccccc7S(=O)(=O)[O-])c3c2,CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(OC)n6)cc5S(=O)(=O)[O-])cc4[n+](c7ccccc7S(=O)(=O)[O-])c3c2,"InChI=1/C37H31ClN8O10S3/c1-3-45(21-22-7-6-8-26(17-22)57(47,48)49)25-13-16-28-32(20-25)46(30-9-4-5-10-33(30)58(50,51)52)31-18-23(11-14-27(31)41-28)39-29-15-12-24(19-34(29)59(53,54)55)40-36-42-35(38)43-37(44-36)56-2/h4-20H,3,21H2,1-2H3,(H4,40,41,42,43,44,47,48,49,50,51,52,53,54,55)/p-2",C37H31ClN8O10S3,,,,,,QRZXUILWZOPQST-UHFFFAOYSA-L,,,,,,,,,,,
100.092.247,301-518-2,94022-23-8,"2,6-dicyclopentyl-5-isopropyl-m-cresol","2,6-dicyclopentyl-3-isopropyl-5-methylphenol",CC(C)c1cc(C)c(C2CCCC2)c(O)c1C3CCCC3,CC(C)c1cc(C)c(C2CCCC2)c(O)c1C3CCCC3,"InChI=1/C20H30O/c1-13(2)17-12-14(3)18(15-8-4-5-9-15)20(21)19(17)16-10-6-7-11-16/h12-13,15-16,21H,4-11H2,1-3H3",C20H30O,,,,,,QNMJHIXIZILZPT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.435,298-425-1,93804-49-0,2-methyldodecyl acrylate,2-methyldodecyl acrylate,CCCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C16H30O2/c1-4-6-7-8-9-10-11-12-13-15(3)14-18-16(17)5-2/h5,15H,2,4,6-14H2,1,3H3",C16H30O2,,,,,,DTXCLQMVQDIXOO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.438,298-428-8,93804-52-5,2-methylpentadecyl acrylate,2-methylpentadecyl acrylate,CCCCCCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C19H36O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(3)17-21-19(20)5-2/h5,18H,2,4,6-17H2,1,3H3",C19H36O2,,,,,,NSNZZYWLRQPINS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.296,301-572-7,94022-74-9,"4,5-dihydro-1-methyl-1-[2-[(1-oxododecyl)amino]ethyl]-2-undecyl-1H-imidazolium methyl sulphate","1-[2-(dodecanoylamino)ethyl]-1-methyl-2-undecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C29H57N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-28-30-24-26-32(28,3)27-25-31-29(33)23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-27H2,1-3H3;1H3,(H,2,3,4)",C29H58N3O.CH3O4S,,,,,,GKFRSXOYLDHCGT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.298,301-574-8,94022-77-2,"4,5-dihydro-1-methyl-1-[2-[(1-oxohexadecyl)amino]ethyl]-2-pentadecyl-1H-imidazolium methyl sulphate","1-methyl-1-[2-(palmitoylamino)ethyl]-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C37H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-38-32-34-40(36,3)35-33-39-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-35H2,1-3H3;1H3,(H,2,3,4)",C37H74N3O.CH3O4S,,,,,,ZWDYOMHYDBEDHD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.317,301-595-2,94023-00-4,1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine dihydrochloride,1-{2-[2-(trifluoromethyl)phenyl]ethyl}piperazine dihydrochloride,Cl.Cl.FC(F)(F)c1ccccc1CCN2CCNCC2,Cl.Cl.FC(F)(F)c1ccccc1CCN2CCNCC2,"InChI=1/C13H17F3N2.2ClH/c14-13(15,16)12-4-2-1-3-11(12)5-8-18-9-6-17-7-10-18;;/h1-4,17H,5-10H2;2*1H",C13H17F3N2.2ClH,,,,,,KOWGROODDFYKRS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.320,301-598-9,94023-03-7,"Bis(2-ethylhexyl) hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","bis(2-ethylhexyl) hydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.OCCNCCO,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.OCCNCCO,"InChI=1/C16H35O4P.C4H11NO2/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;6-3-1-5-2-4-7/h15-16H,5-14H2,1-4H3,(H,17,18);5-7H,1-4H2",C16H35O4P.C4H11NO2,,,,,,QCVJYWVDDHAGNP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.321,301-599-4,94023-04-8,[2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)ethyl]guanidine monohydrochloride,1-[2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)ethyl]guanidine hydrochloride,Cl.NC(=N)NCCC1NC(=S)N(C1=O)c2ccccc2,Cl.NC(=N)NCCC1NC(=S)N(C1=O)c2ccccc2,"InChI=1/C12H15N5OS.ClH/c13-11(14)15-7-6-9-10(18)17(12(19)16-9)8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H,16,19)(H4,13,14,15);1H",C12H15N5OS.ClH,,,,,,QFLWKLAYLMEBKH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.322,301-600-8,94023-05-9,"Undecapotassium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","undecapotassium hydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.11K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;;;;/q;11*+1/p-12",C12H36N4O18P6.11K,,,,,,MIRWYEKUXFEWBB-UHFFFAOYSA-B,,,,,,,,,,,
100.089.256,298-229-6,93783-23-4,"1-ethyl-4,5-dihydro-3-(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium ethyl sulphate",1-ethyl-3-(2-hydroxyethyl)-2-pentadecylimidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],"InChI=1/C22H46N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23(4-2)18-19-24(22)20-21-25;1-2-6-7(3,4)5/h22,25H,3-21H2,1-2H3;2H2,1H3,(H,3,4,5)",C22H45N2O.C2H5O4S,,,,,,FFSOGIOQMRQOTF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.261,298-234-3,93783-33-6,"4,5-dihydro-1-(2-hydroxyethyl)-3-methyl-2-undecyl-1H-imidazolium methyl sulphate",1-(2-hydroxyethyl)-3-methyl-2-undecylimidazolidin-1-ium methyl sulfate,CCCCCCCCCCCC1N(C)CC[NH+]1CCO.COS(=O)(=O)[O-],CCCCCCCCCCCC1N(C)CC[NH+]1CCO.COS(=O)(=O)[O-],"InChI=1/C17H36N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-17-18(2)13-14-19(17)15-16-20;1-5-6(2,3)4/h17,20H,3-16H2,1-2H3;1H3,(H,2,3,4)",C17H35N2O.CH3O4S,,,,,,DGDMDCVSYPMMRZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.263,298-236-4,93783-37-0,"1-(2-aminoethyl)-4,5-dihydro-3-methyl-2-undecyl-1H-imidazolium methyl sulphate",1-(2-aminoethyl)-3-methyl-2-undecylimidazolidin-1-ium methyl sulfate,CCCCCCCCCCCC1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],CCCCCCCCCCCC1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],"InChI=1/C17H37N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-17-19(2)15-16-20(17)14-13-18;1-5-6(2,3)4/h17H,3-16,18H2,1-2H3;1H3,(H,2,3,4)",C17H36N3.CH3O4S,,,,,,PHCTZPYHKUCEAE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.267,298-241-1,93783-44-9,"1-(2-aminoethyl)-3-ethyl-2-henicosyl-4,5-dihydro-1H-imidazolium ethyl sulphate",1-(2-aminoethyl)-3-ethyl-2-henicosylimidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCCCCCCCCCCCC1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCCCC1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],"InChI=1/C28H59N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-30(4-2)26-27-31(28)25-24-29;1-2-6-7(3,4)5/h28H,3-27,29H2,1-2H3;2H2,1H3,(H,3,4,5)",C28H58N3.C2H5O4S,,,,,,MASFOIBIOQSKAX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.271,298-245-3,93783-49-4,"1-(2-aminoethyl)-2-heptadecyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium chloride",1-(2-aminoethyl)-2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-ium chloride,[Cl-].CCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCN,[Cl-].CCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCN,"InChI=1/C24H51N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26(19-18-25)20-21-27(24)22-23-28;/h24,28H,2-23,25H2,1H3;1H",C24H50N3O.Cl,,,,,,UTKMWJPJSOFLPM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.703,300-918-4,93964-72-8,N-formyl-L-alanine succinic anhydride,"N-formyl-L-alanine - dihydrofuran-2,5-dione (1:1)",C[C@H](NC=O)C(=O)O.O=C1CCC(=O)O1,C[C@H](NC=O)C(=O)O.O=C1CCC(=O)O1,"InChI=1/C4H7NO3.C4H4O3/c1-3(4(7)8)5-2-6;5-3-1-2-4(6)7-3/h2-3H,1H3,(H,5,6)(H,7,8);1-2H2",C8H11NO6,,,,,,NSTWQHLCQBGOPD-DFWYDOINSA-N,,,,,,,,,,,
100.091.710,300-926-8,93964-79-5,2-amino-4-phenylbutyrate ethyl hydrochloride,ethyl 2-amino-4-phenylbutanoate hydrochloride,Cl.CCOC(=O)C(N)CCc1ccccc1,Cl.CCOC(=O)C(N)CCc1ccccc1,"InChI=1/C12H17NO2.ClH/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H",C12H17NO2.ClH,,,,,,PTFKZMFFSIYCOV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.713,300-929-4,93964-82-0,Octahydropentalenyl valerate,octahydropentalen-1-yl valerate,CCCCC(=O)OC1CCC2CCCC12,CCCCC(=O)OC1CCC2CCCC12,"InChI=1/C13H22O2/c1-2-3-7-13(14)15-12-9-8-10-5-4-6-11(10)12/h10-12H,2-9H2,1H3",C13H22O2,,,,,,SXGFRANIZFQQGA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.719,300-936-2,93964-88-6,4-[(2-chloro-4-nitrophenyl)azo]-N-[2-(dodecyloxy)ethyl]-N-ethyl-aniline,4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(dodecyloxy)ethyl]-N-ethylaniline,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOCCCCCCCCCCCC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOCCCCCCCCCCCC)[N+]([O-])=O,"InChI=1/C28H41ClN4O3/c1-3-5-6-7-8-9-10-11-12-13-21-36-22-20-32(4-2)25-16-14-24(15-17-25)30-31-28-19-18-26(33(34)35)23-27(28)29/h14-19,23H,3-13,20-22H2,1-2H3",C28H41ClN4O3,,,,,,AECRWDRUAXJGIE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.842,286-756-4,85391-04-4,Diisopropyl L-aspartate hydrochloride,diisopropyl L-aspartate hydrochloride,Cl.CC(C)OC(=O)C[C@H](N)C(=O)OC(C)C,Cl.CC(C)OC(=O)C[C@H](N)C(=O)OC(C)C,"InChI=1/C10H19NO4.ClH/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4;/h6-8H,5,11H2,1-4H3;1H",C10H19NO4.ClH,,,,,,TXXFZESNRPGAFI-QRPNPIFTSA-N,,,,,,,,,,,
100.078.846,286-761-1,85391-09-9,2-chloro-1-methylcyclopropanecarboxylic acid,2-chloro-1-methylcyclopropanecarboxylic acid,CC1(CC1Cl)C(=O)O,CC1(CC1Cl)C(=O)O,"InChI=1/C5H7ClO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)",C5H7ClO2,,,,,,UDAHHJRBNYAHSW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.848,286-763-2,85391-11-3,"Butyl dihydrogen phosphate, potassium salt",-,[K+].CCCCOP(=O)(O)O,[K+].CCCCOP(=O)(O)O,"InChI=1/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1",C4H11O4P.xK,,,,,,XAACWXXRFIOVSG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.856,286-772-1,85391-19-1,"3-(1-pyrrolidinyl)propane-1,2-diol","3-pyrrolidin-1-ylpropane-1,2-diol",OCC(O)CN1CCCC1,OCC(O)CN1CCCC1,"InChI=1/C7H15NO2/c9-6-7(10)5-8-3-1-2-4-8/h7,9-10H,1-6H2",C7H15NO2,,,,,,MFPZRSWYUKWRIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.859,286-775-8,85391-22-6,N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine pentahydrofluoride,"N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine pentahydrofluoride",F.F.F.F.F.NCCNCCNCCNCCN,F.F.F.F.F.NCCNCCNCCNCCN,"InChI=1/C8H23N5.5FH/c9-1-3-11-5-7-13-8-6-12-4-2-10;;;;;/h11-13H,1-10H2;5*1H",C8H23N5.5FH,,,,,,CYCWFRTVCOHTJP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.861,286-777-9,85391-24-8,"1-propylimidazolidine-2,4-dione","1-propylimidazolidine-2,4-dione",CCCN1CC(=O)NC1=O,CCCN1CC(=O)NC1=O,"InChI=1/C6H10N2O2/c1-2-3-8-4-5(9)7-6(8)10/h2-4H2,1H3,(H,7,9,10)",C6H10N2O2,,,,,,MZRJHJCATGZKTC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.862,286-778-4,85391-25-9,"1-hexylimidazolidine-2,4-dione","1-hexylimidazolidine-2,4-dione",CCCCCCN1CC(=O)NC1=O,CCCCCCN1CC(=O)NC1=O,"InChI=1/C9H16N2O2/c1-2-3-4-5-6-11-7-8(12)10-9(11)13/h2-7H2,1H3,(H,10,12,13)",C9H16N2O2,,,,,,HFSWPCFMUVLFTM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.865,286-782-6,85391-28-2,"1-dodecylimidazolidine-2,4-dione","1-dodecylimidazolidine-2,4-dione",CCCCCCCCCCCCN1CC(=O)NC1=O,CCCCCCCCCCCCN1CC(=O)NC1=O,"InChI=1/C15H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(18)16-15(17)19/h2-13H2,1H3,(H,16,18,19)",C15H28N2O2,,,,,,IHWNCNSXOZBQBX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.866,286-783-1,85391-29-3,"1-tetradecylimidazolidine-2,4-dione","1-tetradecylimidazolidine-2,4-dione",CCCCCCCCCCCCCCN1CC(=O)NC1=O,CCCCCCCCCCCCCCN1CC(=O)NC1=O,"InChI=1/C17H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(20)18-17(19)21/h2-15H2,1H3,(H,18,20,21)",C17H32N2O2,,,,,,AESJECFMHVOYGB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.875,286-793-6,85391-39-5,"Dipotassium 5-bromo-2-[9-chloro-3-(sulphonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulphate","dipotassium 5-bromo-2-[9-chloro-3-(sulfonatooxy)naphtho[1,2-b]thiophen-2-yl]-1H-indol-3-yl sulfate",[K+].[K+].[O-]S(=O)(=O)Oc1c([nH]c2ccc(Br)cc12)c3sc4c(ccc5cccc(Cl)c45)c3OS(=O)(=O)[O-],[K+].[K+].[O-]S(=O)(=O)Oc1c([nH]c2ccc(Br)cc12)c3sc4c(ccc5cccc(Cl)c45)c3OS(=O)(=O)[O-],"InChI=1/C20H11BrClNO8S3.2K/c21-10-5-7-14-12(8-10)17(30-33(24,25)26)16(23-14)20-18(31-34(27,28)29)11-6-4-9-2-1-3-13(22)15(9)19(11)32-20;;/h1-8,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C20H11BrClNO8S3.2K,,,,,,SFUBJXMYKCHUTF-UHFFFAOYSA-L,,,,,,,,,,,
100.092.598,301-905-6,94087-12-4,1-[2-[[ß-cyano-4-(diethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate,1-[2-({3-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 4-methylbenzenesulfonate,CCN(CC)c1ccc(cc1)\\C(=C\\C(=O)OCC[N+]2(C)C=CN=C2)\\C#N.Cc3ccc(cc3)S(=O)(=O)[O-],CCN(CC)c1ccc(cc1)\C(=C\C(=O)OCC[N+]2(C)C=CN=C2)\C#N.Cc3ccc(cc3)S(=O)(=O)[O-],"InChI=1/C20H25N4O2.C7H8O3S/c1-4-23(5-2)19-8-6-17(7-9-19)18(15-21)14-20(25)26-13-12-24(3)11-10-22-16-24;1-6-2-4-7(5-3-6)11(8,9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C20H25N4O2.C7H7O3S,,,,,,WDUGHFIWKOUANY-LSJACRKWSA-M,,,,,,,,,,,
100.092.602,301-909-8,94087-17-9,1-[2-[[ß-cyano-4-(dimethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium 2-ethylhexanoate,1-[2-({3-cyano-3-[4-(dimethylamino)phenyl]acryloyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 2-ethylhexanoate,CCCCC(CC)C(=O)[O-].CN(C)c1ccc(cc1)\\C(=C\\C(=O)OCC[N+]2(C)C=CN=C2)\\C#N,CCCCC(CC)C(=O)[O-].CN(C)c1ccc(cc1)\C(=C\C(=O)OCC[N+]2(C)C=CN=C2)\C#N,"InChI=1/C18H21N4O2.C8H16O2/c1-21(2)17-6-4-15(5-7-17)16(13-19)12-18(23)24-11-10-22(3)9-8-20-14-22;1-3-5-6-7(4-2)8(9)10/h4-9,12,14H,10-11H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1",C18H21N4O2.C8H15O2,,,,,,WMMYRNVGHNFJLL-CLNHMMGSSA-M,,,,,,,,,,,
100.092.608,301-916-6,94087-23-7,"2-[7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane","2-(7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl)-1,3-dioxolane",CC(C)C1CC2CC(C3OCCO3)C1C=C2C,CC(C)C1CC2CC(C3OCCO3)C1C=C2C,"InChI=1/C15H24O2/c1-9(2)12-7-11-8-14(13(12)6-10(11)3)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3",C15H24O2,,,,,,ONCMKWFWHACURX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.609,301-917-1,94087-24-8,4-isopropylbenzyl phenylacetate,4-isopropylbenzyl phenylacetate,CC(C)c1ccc(COC(=O)Cc2ccccc2)cc1,CC(C)c1ccc(COC(=O)Cc2ccccc2)cc1,"InChI=1/C18H20O2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3",C18H20O2,,,,,,YLYZPMRGUDMETE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.611,301-919-2,94087-26-0,"2-[[(1,2-benzisothiazol-3-yloxy)methyl]cyclohexylamino]ethanol","2-{[(1,2-benzisothiazol-3-yloxy)methyl](cyclohexyl)amino}ethanol",OCCN(COc1nsc2ccccc12)C3CCCCC3,OCCN(COc1nsc2ccccc12)C3CCCCC3,"InChI=1/C16H22N2O2S/c19-11-10-18(13-6-2-1-3-7-13)12-20-16-14-8-4-5-9-15(14)21-17-16/h4-5,8-9,13,19H,1-3,6-7,10-12H2",C16H22N2O2S,,,,,,ANWMSCHRMRJYNM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.612,301-920-8,94087-27-1,"3-(4-morpholinylmethoxy)-1,2-benzisothiazole","3-(morpholin-4-ylmethoxy)-1,2-benzisothiazole",C(Oc1nsc2ccccc12)N3CCOCC3,C(Oc1nsc2ccccc12)N3CCOCC3,"InChI=1/C12H14N2O2S/c1-2-4-11-10(3-1)12(13-17-11)16-9-14-5-7-15-8-6-14/h1-4H,5-9H2",C12H14N2O2S,,,,,,LREZZORMGAZWDF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.615,301-923-4,94087-30-6,"3-(1,2-benzisothiazol-3-yloxy)-N,N-dimethylpropylamine","3-(1,2-benzisothiazol-3-yloxy)-N,N-dimethylpropan-1-amine",CN(C)CCCOc1nsc2ccccc12,CN(C)CCCOc1nsc2ccccc12,"InChI=1/C12H16N2OS/c1-14(2)8-5-9-15-12-10-6-3-4-7-11(10)16-13-12/h3-4,6-7H,5,8-9H2,1-2H3",C12H16N2OS,,,,,,DGIHFDIGJDJNCK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.617,301-926-0,94087-32-8,"2,2'-[[(1,2-benzisothiazol-3-yloxy)methyl]imino]bisethanol","2,2'-{[(1,2-benzisothiazol-3-yloxy)methyl]imino}diethanol",OCCN(CCO)COc1nsc2ccccc12,OCCN(CCO)COc1nsc2ccccc12,"InChI=1/C12H16N2O3S/c15-7-5-14(6-8-16)9-17-12-10-3-1-2-4-11(10)18-13-12/h1-4,15-16H,5-9H2",C12H16N2O3S,,,,,,XNVDNLONLAEARB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.620,301-929-7,94087-35-1,"3-[2-(pyrrolidin-1-yl)ethoxy]-1,2-benzisothiazole","3-(2-pyrrolidin-1-ylethoxy)-1,2-benzisothiazole",C(CN1CCCC1)Oc2nsc3ccccc23,C(CN1CCCC1)Oc2nsc3ccccc23,"InChI=1/C13H16N2OS/c1-2-6-12-11(5-1)13(14-17-12)16-10-9-15-7-3-4-8-15/h1-2,5-6H,3-4,7-10H2",C13H16N2OS,,,,,,HREWNDJVZGCYKC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.621,301-930-2,94087-36-2,"Potassium 5-chloro-2-(2,4-dichlorophenoxy)phenolate","potassium 5-chloro-2-(2,4-dichlorophenoxy)phenolate",[K+].[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,[K+].[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,"InChI=1/C12H7Cl3O2.K/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;/h1-6,16H;/q;+1/p-1",C12H7Cl3O2.K,,,,,,FDRDXUROGMJMFT-UHFFFAOYSA-M,,,,,,,,,,,
100.092.622,301-931-8,94087-37-3,1-methyl-3-(triethoxysilyl)propyl thiocyanate,1-methyl-3-(triethoxysilyl)propyl thiocyanate,CCO[Si](CCC(C)SC#N)(OCC)OCC,CCO[Si](CCC(C)SC#N)(OCC)OCC,"InChI=1/C11H23NO3SSi/c1-5-13-17(14-6-2,15-7-3)9-8-11(4)16-10-12/h11H,5-9H2,1-4H3",C11H23NO3SSi,,,,,,CSNCCNLXNYETHP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.623,301-932-3,94087-38-4,2-methyl-3-(triethoxysilyl)propyl thiocyanate,2-methyl-3-(triethoxysilyl)propyl thiocyanate,CCO[Si](CC(C)CSC#N)(OCC)OCC,CCO[Si](CC(C)CSC#N)(OCC)OCC,"InChI=1/C11H23NO3SSi/c1-5-13-17(14-6-2,15-7-3)9-11(4)8-16-10-12/h11H,5-9H2,1-4H3",C11H23NO3SSi,,,,,,VWAAQYLSPXJCRE-UHFFFAOYSA-N,,,,,,,,,,,
100.086.826,295-552-4,92063-66-6,(dimethylphosphino)dimethylgallium,(dimethylphosphino)(dimethyl)gallium,CP(C)[Ga](C)C,CP(C)[Ga](C)C,InChI=1/C2H6P.2CH3.Ga/c1-3-2;;;/h1-2H3;2*1H3;/q-1;;;+1/rC4H12GaP/c1-5(2)6(3)4/h1-4H3,C4H12GaP,,,,,,WWXADJCSSVWBCI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.442,298-433-5,93804-56-9,2-methylnonadecyl acrylate,2-methylnonadecyl acrylate,CCCCCCCCCCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)21-25-23(24)5-2/h5,22H,2,4,6-21H2,1,3H3",C23H44O2,,,,,,FCAXOVLLASPKFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.449,298-440-3,93804-63-8,"1,2,3,5,6,7,8,8a-octahydro-8,8-dimethylnaphthalene-2-methanol","(8,8-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)methanol",CC1(C)CCCC2=CCC(CO)CC12,CC1(C)CCCC2=CCC(CO)CC12,"InChI=1/C13H22O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h6,10,12,14H,3-5,7-9H2,1-2H3",C13H22O,,,,,,NBXUINSCGNNOCY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.450,298-441-9,93804-64-9,"a,a,e,4-tetramethyl-1,3-dioxolane-2-hexanol","2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol",CC(CCCC(C)(C)O)CC1OCC(C)O1,CC(CCCC(C)(C)O)CC1OCC(C)O1,"InChI=1/C13H26O3/c1-10(6-5-7-13(3,4)14)8-12-15-9-11(2)16-12/h10-12,14H,5-9H2,1-4H3",C13H26O3,,,,,,AKZXNDJMPSPJQM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.452,298-444-5,93804-66-1,Sodium 3-hydroxynaphthalenesulphonate,sodium 3-hydroxynaphthalene-1-sulfonate,[Na+].Oc1cc(c2ccccc2c1)S(=O)(=O)[O-],[Na+].Oc1cc(c2ccccc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-8-5-7-3-1-2-4-9(7)10(6-8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.xNa,,,,,,UETMGTJCOJBGDR-UHFFFAOYSA-M,,,,,,,,,,,
100.089.454,298-446-6,93804-68-3,Sodium 4-hydroxynaphthalenesulphonate,sodium 4-hydroxynaphthalene-1-sulfonate,[Na+].Oc1ccc(c2ccccc12)S(=O)(=O)[O-],[Na+].Oc1ccc(c2ccccc12)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.xNa,,,,,,IAAKNVCARVEIFS-UHFFFAOYSA-M,,,,,,,,,,,
100.089.457,298-449-2,93804-71-8,Sodium 3-chloro-2-hydroxypropyl sulphate,sodium 3-chloro-2-hydroxypropyl sulfate,[Na+].OC(CCl)COS(=O)(=O)[O-],[Na+].OC(CCl)COS(=O)(=O)[O-],"InChI=1/C3H7ClO5S.Na/c4-1-3(5)2-9-10(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1",C3H7ClO5S.Na,,,,,,FFBMXCWBMFBKED-UHFFFAOYSA-M,,,,,,,,,,,
100.089.463,298-456-0,93804-78-5,[3-chloro-2-hydroxypropyl]diethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"3-chloro-N,N-diethyl-2-hydroxy-N-[2-(methacryloyloxy)ethyl]propan-1-aminium chloride",[Cl-].CC[N+](CC)(CCOC(=O)C(=C)C)CC(O)CCl,[Cl-].CC[N+](CC)(CCOC(=O)C(=C)C)CC(O)CCl,"InChI=1/C13H25ClNO3.ClH/c1-5-15(6-2,10-12(16)9-14)7-8-18-13(17)11(3)4;/h12,16H,3,5-10H2,1-2,4H3;1H/q+1;/p-1",C13H25ClNO3.Cl,,,,,,UBFIULPXXGFOHV-UHFFFAOYSA-M,,,,,,,,,,,
100.089.464,298-457-6,93804-79-6,"N-(9,10-dichloro-1-oxooctadecyl)-L-aspartic acid","N-(9,10-dichlorooctadecanoyl)-L-aspartic acid",CCCCCCCCC(Cl)C(Cl)CCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O,CCCCCCCCC(Cl)C(Cl)CCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C22H39Cl2NO5/c1-2-3-4-5-7-10-13-17(23)18(24)14-11-8-6-9-12-15-20(26)25-19(22(29)30)16-21(27)28/h17-19H,2-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)",C22H39Cl2NO5,,,,,,AZCXHZWXALPJBY-ACBHZAAOSA-N,,,,,,,,,,,
100.089.467,298-460-2,93804-82-1,"5-oxo-L-proline, compound with 3',4'-dihydroxy-2-(methylamino)acetophenone (1:1)","5-oxo-L-proline - 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone (1:1)",CNCC(=O)c1ccc(O)c(O)c1.OC(=O)[C@@H]2CCC(=O)N2,CNCC(=O)c1ccc(O)c(O)c1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C9H11NO3.C5H7NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;7-4-2-1-3(6-4)5(8)9/h2-4,10-12H,5H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C9H11NO3.C5H7NO3,,,,,,FFQNWEOMFMQVFL-HVDRVSQOSA-N,,,,,,,,,,,
100.093.377,302-762-2,94133-97-8,"5,8,11-trioxapentadeca-1,15-diyl diacetate","17-oxo-5,8,11,16-tetraoxaoctadec-1-yl acetate (non-preferred name)",CC(=O)OCCCCOCCOCCOCCCCOC(=O)C,CC(=O)OCCCCOCCOCCOCCCCOC(=O)C,"InChI=1/C16H30O7/c1-15(17)22-9-5-3-7-19-11-13-21-14-12-20-8-4-6-10-23-16(2)18/h3-14H2,1-2H3",C16H30O7,,,,,,ATHFLNGYVMMERW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.391,302-777-4,94134-11-9,"1,1'-(dodecane-1,12-diyl)bisimidazolidine-2,4-dione","1,1'-dodecane-1,12-diyldiimidazolidine-2,4-dione",O=C1CN(CCCCCCCCCCCCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCCCCCCCCCCCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C18H30N4O4/c23-15-13-21(17(25)19-15)11-9-7-5-3-1-2-4-6-8-10-12-22-14-16(24)20-18(22)26/h1-14H2,(H,19,23,25)(H,20,24,26)",C18H30N4O4,,,,,,BMYCTFIMDMGMEA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.393,302-780-0,94134-13-1,"1,1'-(octane-1,8-diyl)bisimidazolidine-2,4-dione","1,1'-octane-1,8-diyldiimidazolidine-2,4-dione",O=C1CN(CCCCCCCCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCCCCCCCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C14H22N4O4/c19-11-9-17(13(21)15-11)7-5-3-1-2-4-6-8-18-10-12(20)16-14(18)22/h1-10H2,(H,15,19,21)(H,16,20,22)",C14H22N4O4,,,,,,NQSOSHMQQKIGLG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.394,302-781-6,94134-14-2,"1,1'-(butane-1,4-diyl)bisimidazolidine-2,4-dione","1,1'-butane-1,4-diyldiimidazolidine-2,4-dione",O=C1CN(CCCCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCCCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C10H14N4O4/c15-7-5-13(9(17)11-7)3-1-2-4-14-6-8(16)12-10(14)18/h1-6H2,(H,11,15,17)(H,12,16,18)",C10H14N4O4,,,,,,QVCHURCDMVHMGW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.395,302-782-1,94134-15-3,Bis(2-aminoethyl) ethyl phosphate,bis(2-aminoethyl) ethyl phosphate,CCOP(=O)(OCCN)OCCN,CCOP(=O)(OCCN)OCCN,"InChI=1/C6H17N2O4P/c1-2-10-13(9,11-5-3-7)12-6-4-8/h2-8H2,1H3",C6H17N2O4P,,,,,,ZDERHIYDYLUKHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.196,300-362-2,93939-73-2,"[2-(8-heptadecenyl)-4,5-dihydro-4-(hydroxymethyl)oxazole-4-yl]methyl oleate","[2-heptadec-8-en-1-yl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl octadec-9-enoate",O=C(OCC1(/N=C(/CCCCCCCC=CCCCCCCCC)OC1)CO)CCCCCCC/C=C\\CCCCCCCC,O=C(OCC1(/N=C(/CCCCCCCC=CCCCCCCCC)OC1)CO)CCCCCCC/C=C\CCCCCCCC,"InChI=1/C40H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-41-40(35-42,36-44-38)37-45-39(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42H,3-16,21-37H2,1-2H3",C40H73NO4,,,,,,BENOUNWWROPAGZ-FKVHLOHMSA-N,,,,,,,,,,,
100.091.197,300-363-8,93939-74-3,(R)-4-fluorophenylglycine,N-(4-fluorophenyl)glycine,OC(=O)CNc1ccc(F)cc1,OC(=O)CNc1ccc(F)cc1,"InChI=1/C8H8FNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)",C8H8FNO2,,,,,,ZFIMCCCQJDZLCT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.324,301-602-9,94023-07-1,"Hexaammonium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","hexaammonium hexahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.6H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);6*1H3/p-6",C12H36N4O18P6.6H3N,,,,,,BNVPFRHEZNXYEG-UHFFFAOYSA-H,,,,,,,,,,,
100.092.332,301-611-8,94023-15-1,2-tert-butoxypropan-1-ol,2-tert-butoxypropan-1-ol,CC(CO)OC(C)(C)C,CC(CO)OC(C)(C)C,"InChI=1/C7H16O2/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3",C7H16O2,,,,,,GIWJLGYZXWVBDL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.333,301-612-3,94023-16-2,"Tetrasodium tetrahydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","tetrasodium tetrahydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.4Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-8",C10H28N2O12P4.4Na,,,,,,UHRYZBHOYOHLER-UHFFFAOYSA-F,,,,,,,,,,,
100.092.339,301-619-1,94023-22-0,"Pentaammonium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","pentaammonium trihydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.5H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);5*1H3/p-3",C10H28N2O12P4.5H3N,,,,,,WIFCXSGFALMVIE-UHFFFAOYSA-K,,,,,,,,,,,
100.092.348,301-629-6,94023-31-1,"N,N'-[ethylenebis(iminoethylene)]bis(octadec-9-enamide) monoacetate","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisoctadec-9-enamide acetate",CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC.CC(O)=O,CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC.CC(O)=O,"InChI=1/C42H82N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h17-20,43-44H,3-16,21-40H2,1-2H3,(H,45,47)(H,46,48);1H3,(H,3,4)",C42H82N4O2.C2H4O2,,,,,,AWDMRTSEHLUASP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.349,301-630-1,94023-32-2,"N,N'-[ethylenebis(iminoethylene)]bis(octadeca-9,12-dienamide) monoacetate","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisoctadeca-9,12-dienamide acetate",CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC.CC(O)=O,CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC.CC(O)=O,"InChI=1/C42H78N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h11-14,17-20,43-44H,3-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48);1H3,(H,3,4)",C42H78N4O2.C2H4O2,,,,,,MLCMOWWJMQXVNA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.350,301-631-7,94023-33-3,"N,N'-[ethylenebis(iminoethylene)]bis(octadeca-9,12,15-trienamide) monoacetate","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisoctadeca-9,12,15-trienamide acetate",CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,"InChI=1/C42H74N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h5-8,11-14,17-20,43-44H,3-4,9-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48);1H3,(H,3,4)",C42H74N4O2.C2H4O2,,,,,,OYZZTHRNAAAZHW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.876,286-794-1,85391-40-8,"Dipotassium 16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(sulphate)","dipotassium 16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl disulfate",[K+].[K+].COc1cc2c3ccccc3c(OS(=O)(=O)[O-])c4ccc5c6ccc7c(OS(=O)(=O)[O-])c8ccccc8c9cc(OC)c(c1c5c24)c6c79,[K+].[K+].COc1cc2c3ccccc3c(OS(=O)(=O)[O-])c4ccc5c6ccc7c(OS(=O)(=O)[O-])c8ccccc8c9cc(OC)c(c1c5c24)c6c79,"InChI=1/C36H22O10S2.2K/c1-43-27-15-25-17-7-3-5-9-21(17)35(45-47(37,38)39)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)46-48(40,41)42)16-28(44-2)34(32(20)30)33(27)31(19)29(23)25;;/h3-16H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C36H22O10S2.2K,,,,,,CFVXMXZGZYHLRH-UHFFFAOYSA-L,,,,,,,,,,,
100.078.879,286-797-8,85391-43-1,Disodium 3-[(2-chloro-4-nitrophenyl)azo]-4-hydroxy-7-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]naphthalene-2-sulphonate,disodium 3-[(2-chloro-4-nitrophenyl)diazenyl]-4-hydroxy-7-[(2-hydroxy-4-{[3-hydroxy-4-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]amino}phenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].Clc7cc(ccc7N=Nc6c(cc5cc(N=Nc4ccc(Nc3ccc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(O)c3)cc4O)ccc5c6O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].[Na+].Clc7cc(ccc7N=Nc6c(cc5cc(N=Nc4ccc(Nc3ccc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(O)c3)cc4O)ccc5c6O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C40H27ClN10O13S2.2Na/c41-30-19-27(50(55)56)8-13-31(30)46-49-39-38(66(62,63)64)16-21-15-26(5-10-29(21)40(39)54)45-48-33-12-7-25(18-36(33)53)42-24-6-11-32(35(52)17-24)47-44-23-3-1-22(2-4-23)43-34-14-9-28(51(57)58)20-37(34)65(59,60)61;;/h1-20,42-43,52-54H,(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2",C40H27ClN10O13S2.2Na,,,,,,KGTREPLFAIMGCS-UHFFFAOYSA-L,,,,,,,,,,,
100.078.882,286-800-2,85391-46-4,Decyl 2-ethylhexyl phthalate,decyl 2-ethylhexyl phthalate,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,"InChI=1/C26H42O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,18-19,22H,4-13,16-17,20-21H2,1-3H3",C26H42O4,,,,,,GMMDKTJONHGTSN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.834,298-864-9,93839-91-9,"D-(+)-threo-2-amino-1-(p-methylsulphonylphenyl)propane-1,3-diyl sulphate",2-amino-1-[4-(methylsulfonyl)phenyl]-3-(sulfooxy)propyl sulfate,CS(=O)(=O)c1ccc(cc1)C(OS(=O)(=O)[O-])C(N)COS(=O)(=O)O,CS(=O)(=O)c1ccc(cc1)C(OS(=O)(=O)[O-])C(N)COS(=O)(=O)O,"InChI=1/C10H15NO10S3/c1-22(12,13)8-4-2-7(3-5-8)10(21-24(17,18)19)9(11)6-20-23(14,15)16/h2-5,9-10H,6,11H2,1H3,(H,14,15,16)(H,17,18,19)/p-1",C10H15NO4S.1/2H2O4S,,,,,,FKBAHZXTICAQMF-UHFFFAOYSA-M,,,,,,,,,,,
100.089.848,298-880-6,93840-05-2,Antimony tri(hexanolate),antimony(3+) trihexan-1-olate,[SbH3+3].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-],[SbH3+3].CCCCCC[O-].CCCCCC[O-].CCCCCC[O-],"InChI=1/3C6H13O.Sb.3H/c3*1-2-3-4-5-6-7;;;;/h3*2-6H2,1H3;;;;/q3*-1;+3;;;/r3C6H13O.H3Sb/c3*1-2-3-4-5-6-7;/h3*2-6H2,1H3;1H3/q3*-1;+3",C6H14O.1/3Sb,,,,,,OSHMFUIMESEQSS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.730,300-948-8,93965-01-6,"2-[[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl][2-(acetyloxy)ethyl]amino]ethyl chloroacetate","2-[{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}(2-acetoxyethyl)amino]ethyl chloroacetate",Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(CCOC(C)=O)CCOC(=O)CCl)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(CCOC(C)=O)CCOC(=O)CCl)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C24H26BrClN6O10/c1-4-40-22-12-19(28-29-24-17(25)9-16(31(36)37)10-21(24)32(38)39)18(27-14(2)33)11-20(22)30(5-7-41-15(3)34)6-8-42-23(35)13-26/h9-12H,4-8,13H2,1-3H3,(H,27,33)",C24H26BrClN6O10,,,,,,FNKHTULLWWVLBC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.734,300-953-5,93965-05-0,"2-[[4-chloro-6-morpholino-1,3,5-triazin-2-yl]amino]-5-[[1-(2-chloro-5-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonic acid","2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-{[1-(2-chloro-5-sulfophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1,4-disulfonic acid",OS(=O)(=O)c1cc(c(Cl)cc1)N5/N=C(/C)C(N=Nc2cc(c(cc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)N4CCOCC4)S(O)(=O)=O)C5=O,OS(=O)(=O)c1cc(c(Cl)cc1)N5/N=C(/C)C(N=Nc2cc(c(cc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)N4CCOCC4)S(O)(=O)=O)C5=O,"InChI=1/C23H21Cl2N9O11S3/c1-11-19(20(35)34(32-11)16-8-12(46(36,37)38)2-3-13(16)24)31-30-15-10-17(47(39,40)41)14(9-18(15)48(42,43)44)26-22-27-21(25)28-23(29-22)33-4-6-45-7-5-33/h2-3,8-10,19H,4-7H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,26,27,28,29)",C23H21Cl2N9O11S3,,,,,,UILLTFJCPXLGON-UHFFFAOYSA-N,,,,,,,,,,,
100.091.743,300-962-4,93965-14-1,"4-benzoyl-2-hydroxy-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","4-benzoyl-2-hydroxy-1,3-phenylene bis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",Oc1c(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)ccc(C(=O)c4ccccc4)c1OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56,Oc1c(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)ccc(C(=O)c4ccccc4)c1OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56,"InChI=1/C33H18N4O10S2/c34-36-24-15-12-19-21(30(24)39)8-4-10-27(19)48(42,43)46-26-17-14-23(29(38)18-6-2-1-3-7-18)33(32(26)41)47-49(44,45)28-11-5-9-22-20(28)13-16-25(37-35)31(22)40/h1-17,41H",C33H18N4O10S2,,,,,,HUJVGNAYDTWWKS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.378,301-662-6,94023-64-0,Sodium 2-aminoethyl thiosulphate,sodium O-(2-aminoethyl) thiosulfate,[Na+].NCCOS(=O)(=O)[S-],[Na+].NCCOS(=O)(=O)[S-],"InChI=1/C2H7NO3S2.Na/c3-1-2-6-8(4,5)7;/h1-3H2,(H,4,5,7);/q;+1/p-1",C2H7NO3S2.Na,,,,,,VAVJLFXZXXAKRM-UHFFFAOYSA-M,,,,,,,,,,,
100.092.380,301-664-7,94023-66-2,"1,1-bis(heptyloxy)nonane","1,1-bis(heptyloxy)nonane",CCCCCCCCC(OCCCCCCC)OCCCCCCC,CCCCCCCCC(OCCCCCCC)OCCCCCCC,"InChI=1/C23H48O2/c1-4-7-10-13-14-17-20-23(24-21-18-15-11-8-5-2)25-22-19-16-12-9-6-3/h23H,4-22H2,1-3H3",C23H48O2,,,,,,LSUBJKMXQOLTFL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.389,301-674-1,94023-75-3,2-hydroxy-1-methoxypropyl methacrylate,2-hydroxy-1-methoxypropyl methacrylate,COC(OC(=O)C(=C)C)C(C)O,COC(OC(=O)C(=C)C)C(C)O,"InChI=1/C8H14O4/c1-5(2)7(10)12-8(11-4)6(3)9/h6,8-9H,1H2,2-4H3",C8H14O4,,,,,,ZPDRFGUKLFPRAA-UHFFFAOYSA-N,,,,,,,,,,,
100.086.830,295-557-1,92110-38-8,"Ethyl [4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulphonyl]phenyl]-carbamate","ethyl {4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamate",CCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnc(CC)s2,CCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnc(CC)s2,"InChI=1/C13H16N4O4S2/c1-3-11-15-16-12(22-11)17-23(19,20)10-7-5-9(6-8-10)14-13(18)21-4-2/h5-8H,3-4H2,1-2H3,(H,14,18)(H,16,17)",C13H16N4O4S2,,,,,,VFJBHCMPCGLIHV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.582,299-686-4,93893-94-8,"3,3a,4,4a,5,7a,8,8a-octahydro-3-methyl-4,8-methano-2H-indeno[5,6-b]furan-2-one","3-methyl-3,3a,4,4a,5,7a,8,8a-octahydro-2H-4,8-methanoindeno[5,6-b]furan-2-one",CC1C2C3CC(C2OC1=O)C4C=CCC34,CC1C2C3CC(C2OC1=O)C4C=CCC34,"InChI=1/C13H16O2/c1-6-11-9-5-10(12(11)15-13(6)14)8-4-2-3-7(8)9/h2,4,6-12H,3,5H2,1H3",C13H16O2,,,,,,JPAKGRJGJHZDRU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.589,299-694-8,93894-01-0,6-dodecyl-a-D-glucose,6-O-dodecyl-D-glucose,CCCCCCCCCCCCOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,CCCCCCCCCCCCOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-24-14-16(21)18(23)17(22)15(20)13-19/h13,15-18,20-23H,2-12,14H2,1H3",C18H36O6,,,,,,REQMKPPZCDBDLQ-BSDSXHPESA-N,,,,,,,,,,,
100.090.596,299-703-5,93894-08-7,Cadmium bis(p-nonylphenolate),cadmium bis(4-nonylphenolate),[Cd+2].CCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCc2ccc([O-])cc2,[Cd+2].CCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCc2ccc([O-])cc2,"InChI=1/2C15H24O.Cd/c2*1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;/h2*10-13,16H,2-9H2,1H3;/q;;+2/p-2",C15H24O.1/2Cd,,,,,,VOBRDFQIUDOEEL-UHFFFAOYSA-L,,,,,,,,,,,
100.090.598,299-705-6,93894-10-1,Cadmium (Z)-hexadec-9-enoate,cadmium dihexadec-9-enoate,[Cd+2].CCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCC\\C=C/CCCCCCCC(=O)[O-],[Cd+2].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/2C16H30O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H30O2.1/2Cd,,,,,,PCXAAOBILAIRKV-ATMONBRVSA-L,,,,,,,,,,,
100.090.603,299-710-3,93894-15-6,2-(2-butoxyethoxy)ethyl docosanoate,2-(2-butoxyethoxy)ethyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC,"InChI=1/C30H60O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(31)34-29-28-33-27-26-32-25-6-4-2/h3-29H2,1-2H3",C30H60O4,,,,,,IGAFVWYTUFDIMM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.605,299-712-4,93894-17-8,Allylhexadecylbis(2-hydroxyethyl)ammonium chloride,"N-allyl-N,N-bis(2-hydroxyethyl)hexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C,[Cl-].CCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C,"InChI=1/C23H48NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(18-4-2,20-22-25)21-23-26;/h4,25-26H,2-3,5-23H2,1H3;1H/q+1;/p-1",C23H48NO2.Cl,,,,,,RDEXKPJRNKODRL-UHFFFAOYSA-M,,,,,,,,,,,
100.090.612,299-720-8,93894-24-7,"(E)-[2-(3,7-dimethyl-2,6-octadienyloxy)-2-methoxyethyl]benzene","{2-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-2-methoxyethyl}benzene",COC(Cc1ccccc1)OC\\C=C(/C)\\CCC=C(C)C,COC(Cc1ccccc1)OC\C=C(/C)\CCC=C(C)C,"InChI=1/C19H28O2/c1-16(2)9-8-10-17(3)13-14-21-19(20-4)15-18-11-6-5-7-12-18/h5-7,9,11-13,19H,8,10,14-15H2,1-4H3",C19H28O2,,,,,,QKRGIVHDLCRAPW-GHRIWEEISA-N,,,,,,,,,,,
100.090.614,299-722-9,93894-26-9,"1-[(3,7-dimethyloctyl)oxy]-1-methoxydecane","1-[(3,7-dimethyloctyl)oxy]-1-methoxydecane",CCCCCCCCCC(OC)OCCC(C)CCCC(C)C,CCCCCCCCCC(OC)OCCC(C)CCCC(C)C,"InChI=1/C21H44O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h19-21H,6-18H2,1-5H3",C21H44O2,,,,,,DKWLTGSORMOOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.616,299-725-5,93894-28-1,"1-[(3,7-dimethyl-6-octenyl)oxy]-1-methoxydecane","1-[(3,7-dimethyloct-6-en-1-yl)oxy]-1-methoxydecane",CCCCCCCCCC(OC)OCCC(C)CCC=C(C)C,CCCCCCCCCC(OC)OCCC(C)CCC=C(C)C,"InChI=1/C21H42O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h14,20-21H,6-13,15-18H2,1-5H3",C21H42O2,,,,,,JVPUXLNHNKOZAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.420,299-509-0,93892-27-4,5-[(2-hydroxy-5-methylphenyl)azo]-2-[2-(4-nitro-2-sulphophenyl)vinyl]benzenesulphonic acid,5-[(2-hydroxy-5-methylphenyl)diazenyl]-2-[2-(4-nitro-2-sulfophenyl)vinyl]benzenesulfonic acid,Oc3ccc(C)cc3N=Nc2ccc(/C=C/c1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)c(c2)S(O)(=O)=O,Oc3ccc(C)cc3N=Nc2ccc(/C=C/c1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)c(c2)S(O)(=O)=O,"InChI=1/C21H17N3O9S2/c1-13-2-9-19(25)18(10-13)23-22-16-7-5-14(20(11-16)34(28,29)30)3-4-15-6-8-17(24(26)27)12-21(15)35(31,32)33/h2-12,25H,1H3,(H,28,29,30)(H,31,32,33)",C21H17N3O9S2,,,,,,CYPTVFMYUBJWES-HPOMVFMNSA-N,,,,,,,,,,,
100.090.423,299-512-7,93892-30-9,2-cyclopentyl-6-isopropylphenol,2-cyclopentyl-6-isopropylphenol,CC(C)c1cccc(C2CCCC2)c1O,CC(C)c1cccc(C2CCCC2)c1O,"InChI=1/C14H20O/c1-10(2)12-8-5-9-13(14(12)15)11-6-3-4-7-11/h5,8-11,15H,3-4,6-7H2,1-2H3",C14H20O,,,,,,QAASULYKVXLJKW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.427,299-516-9,93892-34-3,"6-isobutyl-1,1,3,3-tetramethylindan-5-ol","6-isobutyl-1,1,3,3-tetramethylindan-5-ol",CC(C)Cc1cc2c(cc1O)C(C)(C)CC2(C)C,CC(C)Cc1cc2c(cc1O)C(C)(C)CC2(C)C,"InChI=1/C17H26O/c1-11(2)7-12-8-13-14(9-15(12)18)17(5,6)10-16(13,3)4/h8-9,11,18H,7,10H2,1-6H3",C17H26O,,,,,,NZXCKXLASHGCFV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.430,299-520-0,93892-37-6,"1,1,3,3-tetramethyl-6-(1-methylpropyl)indan-5-ol","6-sec-butyl-1,1,3,3-tetramethylindan-5-ol",CCC(C)c1cc2c(cc1O)C(C)(C)CC2(C)C,CCC(C)c1cc2c(cc1O)C(C)(C)CC2(C)C,"InChI=1/C17H26O/c1-7-11(2)12-8-13-14(9-15(12)18)17(5,6)10-16(13,3)4/h8-9,11,18H,7,10H2,1-6H3",C17H26O,,,,,,RQWQNDDLWURPDH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.399,302-786-3,94134-19-7,"1,1-dimethylbiguanide citrate","N,N-dimethylimidodicarbonimidic diamide 2-hydroxypropane-1,2,3-tricarboxylate (salt)",CN(C)C(=N)NC(=N)N.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN(C)C(=N)NC(=N)N.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C6H8O7.C4H11N5/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-9(2)4(7)8-3(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H3,(H5,5,6,7,8)",C6H8O7.C4H11N5,,,,,,AFIHOTTTWXQFDO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.404,302-792-6,94134-24-4,"(2,3-dihydroxypropyl)(2-hydroxyoctyl)dimethylammonium toluene-p-sulphonate","N-(2,3-dihydroxypropyl)-2-hydroxy-N,N-dimethyloctan-1-aminium 4-methylbenzenesulfonate",CCCCCCC(O)C[N+](C)(C)CC(O)CO.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCC(O)C[N+](C)(C)CC(O)CO.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C13H30NO3.C7H8O3S/c1-4-5-6-7-8-12(16)9-14(2,3)10-13(17)11-15;1-6-2-4-7(5-3-6)11(8,9)10/h12-13,15-17H,4-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C13H30NO3.C7H7O3S,,,,,,YTHWXMVRUPETGQ-UHFFFAOYSA-M,,,,,,,,,,,
100.093.410,302-798-9,94134-30-2,"2-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]carbonyl]benzoic acid","2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid",Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)n1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)n1,"InChI=1/C20H18N4O5S/c1-12-11-13(2)22-20(21-12)24-30(28,29)15-9-7-14(8-10-15)23-18(25)16-5-3-4-6-17(16)19(26)27/h3-11H,1-2H3,(H,23,25)(H,26,27)(H,21,22,24)",C20H18N4O5S,,,,,,ASNQBPSYZGXIDK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.338,300-517-4,93941-69-6,4-(isopropyl)cyclohexadieneethanol,"2-(4-isopropylcyclohexa-1,3-dien-1-yl)ethanol",CC(C)C1=CC=C(CCO)CC1,CC(C)C1=CC=C(CCO)CC1,"InChI=1/C11H18O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3,5,9,12H,4,6-8H2,1-2H3",C11H18O,,,,,,OFRCGWBLTNNKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.345,300-525-8,93941-76-5,"4,4'-(dihydroxysilylene)bis-3-butenenitrile","4,4'-(dihydroxysilanediyl)bisbut-3-enenitrile",N#CCC=C[Si](O)(O)C=CCC#N,N#CCC=C[Si](O)(O)C=CCC#N,"InChI=1/C8H10N2O2Si/c9-5-1-3-7-13(11,12)8-4-2-6-10/h3-4,7-8,11-12H,1-2H2",C8H10N2O2Si,,,,,,NWBDTFZXRXRGIT-UHFFFAOYSA-N,,,,,,,,,,,
100.091.351,300-532-6,93941-82-3,"1,3-dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate","1,3-dimethylbutyl (2,4,5-trichlorophenoxy)acetate",CC(C)CC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl,CC(C)CC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C14H17Cl3O3/c1-8(2)4-9(3)20-14(18)7-19-13-6-11(16)10(15)5-12(13)17/h5-6,8-9H,4,7H2,1-3H3",C14H17Cl3O3,,,,,,HIBAPSKFJRQZJG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.357,300-538-9,93941-90-3,Trimethyl-2-[(oxoallyl)oxy]propylammonium methyl sulphate,"2-(acryloyloxy)-N,N,N-trimethylpropan-1-aminium methyl sulfate",COS(=O)(=O)[O-].CC(C[N+](C)(C)C)OC(=O)C=C,COS(=O)(=O)[O-].CC(C[N+](C)(C)C)OC(=O)C=C,"InChI=1/C9H18NO2.CH4O4S/c1-6-9(11)12-8(2)7-10(3,4)5;1-5-6(2,3)4/h6,8H,1,7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1",C9H18NO2.CH3O4S,,,,,,SOZZSNIDKONVAY-UHFFFAOYSA-M,,,,,,,,,,,
100.091.358,300-539-4,93941-91-4,[2-(acryloyloxy)-1-methylethyl]benzyldimethylammonium chloride,"1-(acryloyloxy)-N-benzyl-N,N-dimethylpropan-2-aminium chloride",[Cl-].CC(COC(=O)C=C)[N+](C)(C)Cc1ccccc1,[Cl-].CC(COC(=O)C=C)[N+](C)(C)Cc1ccccc1,"InChI=1/C15H22NO2.ClH/c1-5-15(17)18-12-13(2)16(3,4)11-14-9-7-6-8-10-14;/h5-10,13H,1,11-12H2,2-4H3;1H/q+1;/p-1",C15H22NO2.Cl,,,,,,DWNMRHBGZATFST-UHFFFAOYSA-M,,,,,,,,,,,
100.087.564,296-364-5,92612-64-1,5-[(4-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate,2-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-1-methylbenzene,Cc1ccc(CC2CCC(CC2)N=C=O)cc1N=C=O,Cc1ccc(CC2CCC(CC2)N=C=O)cc1N=C=O,"InChI=1/C16H18N2O2/c1-12-2-3-14(9-16(12)18-11-20)8-13-4-6-15(7-5-13)17-10-19/h2-3,9,13,15H,4-8H2,1H3",C16H18N2O2,,,,,,OKFSMWLCRSNGEA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.468,298-461-8,93804-83-2,"5-oxo-L-proline, compound with 2-(dimethylamino)ethyl 4-(butylamino)benzoate (1:1)",5-oxo-L-proline - 2-(dimethylamino)ethyl 4-(butylamino)benzoate (1:1),CCCCNc1ccc(cc1)C(=O)OCCN(C)C.OC(=O)[C@@H]2CCC(=O)N2,CCCCNc1ccc(cc1)C(=O)OCCN(C)C.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C15H24N2O2.C5H7NO3/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;7-4-2-1-3(6-4)5(8)9/h6-9,16H,4-5,10-12H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C15H24N2O2.C5H7NO3,,,,,,SOOSYBCXUGDXOV-HVDRVSQOSA-N,,,,,,,,,,,
100.089.469,298-462-3,93804-84-3,"5-oxo-L-proline, compound with a-bicyclo[2.2.1]hept-5-en-2-yl-a-phenylpiperidine-1-propanol (1:1)",5-oxo-L-proline - 1-bicyclo[2.2.1]hept-5-en-2-yl-1-phenyl-3-piperidin-1-ylpropan-1-ol (1:1),OC(=O)[C@@H]1CCC(=O)N1.OC(CCN2CCCCC2)(C3CC4CC3C=C4)c5ccccc5,OC(=O)[C@@H]1CCC(=O)N1.OC(CCN2CCCCC2)(C3CC4CC3C=C4)c5ccccc5,"InChI=1/C21H29NO.C5H7NO3/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;7-4-2-1-3(6-4)5(8)9/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;3H,1-2H2,(H,6,7)(H,8,9)",C21H29NO.C5H7NO3,,,,,,FHINORBAQBNMKN-HVDRVSQOSA-N,,,,,,,,,,,
100.089.472,298-466-5,93804-87-6,"5-oxo-L-proline, compound with 2-[2-[4-(4-chlorobenzhydryl)-1-piperazinyl]ethoxy]ethanol (2:1)",5-oxo-L-proline - 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol (2:1),OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5,OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C21H27ClN2O2.2C5H7NO3/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;2*7-4-2-1-3(6-4)5(8)9/h1-9,21,25H,10-17H2;2*3H,1-2H2,(H,6,7)(H,8,9)",C21H27ClN2O2.2C5H7NO3,,,,,,RIIUMTQCSBMKTF-YHUPNWGDSA-N,,,,,,,,,,,
100.092.391,301-676-2,94023-77-5,N-[1-(hydroxymethyl)propyl]undecanamide,N-[1-(hydroxymethyl)propyl]undecanamide,CCCCCCCCCCC(=O)NC(CC)CO,CCCCCCCCCCC(=O)NC(CC)CO,"InChI=1/C15H31NO2/c1-3-5-6-7-8-9-10-11-12-15(18)16-14(4-2)13-17/h14,17H,3-13H2,1-2H3,(H,16,18)",C15H31NO2,,,,,,DNBCFRWYLAIQOV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.393,301-678-3,94030-73-6,"1-(4-dodecylphenyl)octane-1,2-dione dioxime","1-(4-dodecylphenyl)octane-1,2-dione dioxime",ON=C(C(CCCCCC)=NO)c1ccc(cc1)CCCCCCCCCCCC,ON=C(C(CCCCCC)=NO)c1ccc(cc1)CCCCCCCCCCCC,"InChI=1/C26H44N2O2/c1-3-5-7-9-10-11-12-13-14-15-17-23-19-21-24(22-20-23)26(28-30)25(27-29)18-16-8-6-4-2/h19-22,29-30H,3-18H2,1-2H3",C26H44N2O2,,,,,,IPFUNASTQOWBGI-UHFFFAOYSA-N,,,,,,,,,,,
100.078.885,286-803-9,85391-49-7,Bis(6-methyloctyl) phthalate,bis(6-methyloctyl) phthalate,CCC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)CC,CCC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)CC,"InChI=1/C26H42O4/c1-5-21(3)15-9-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-10-16-22(4)6-2/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3",C26H42O4,,,,,,FEDPFYJRECQFHW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.886,286-804-4,85391-50-0,Bis(4-methyloctyl) phthalate,bis(4-methyloctyl) phthalate,CCCCC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)CCCC,CCCCC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)CCCC,"InChI=1/C26H42O4/c1-5-7-13-21(3)15-11-19-29-25(27)23-17-9-10-18-24(23)26(28)30-20-12-16-22(4)14-8-6-2/h9-10,17-18,21-22H,5-8,11-16,19-20H2,1-4H3",C26H42O4,,,,,,YWWKENIVKIAFNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.887,286-806-5,85391-51-1,Bis(3-ethylheptyl) phthalate,bis(3-ethylheptyl) phthalate,CCCCC(CC)CCOC(=O)c1ccccc1C(=O)OCCC(CC)CCCC,CCCCC(CC)CCOC(=O)c1ccccc1C(=O)OCCC(CC)CCCC,"InChI=1/C26H42O4/c1-5-9-13-21(7-3)17-19-29-25(27)23-15-11-12-16-24(23)26(28)30-20-18-22(8-4)14-10-6-2/h11-12,15-16,21-22H,5-10,13-14,17-20H2,1-4H3",C26H42O4,,,,,,XSPGRWHRTBCXRG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.892,286-811-2,85391-56-6,"2,2'-(1,4-phenylene)bis[4-[(4-chlorophenyl)methylene]oxazol-5(4H)-one]","2,2'-(1,4-phenylene)bis[4-(4-chlorobenzylidene)-1,3-oxazol-5(4H)-one]",O=C2O\\C(=N/C2=Cc1ccc(Cl)cc1)c3ccc(cc3)C\\5=N\\C(=Cc4ccc(Cl)cc4)C(=O)O/5,O=C2O\C(=N/C2=Cc1ccc(Cl)cc1)c3ccc(cc3)C\5=N\C(=Cc4ccc(Cl)cc4)C(=O)O/5,InChI=1/C26H14Cl2N2O4/c27-19-9-1-15(2-10-19)13-21-25(31)33-23(29-21)17-5-7-18(8-6-17)24-30-22(26(32)34-24)14-16-3-11-20(28)12-4-16/h1-14H,C26H14Cl2N2O4,,,,,,NKZVURJGEMOKSH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.899,286-819-6,85391-63-5,5-[(2-aminophenyl)methyl]-o-toluidine,5-(2-aminobenzyl)-2-methylaniline,Cc1ccc(Cc2ccccc2N)cc1N,Cc1ccc(Cc2ccccc2N)cc1N,"InChI=1/C14H16N2/c1-10-6-7-11(9-14(10)16)8-12-4-2-3-5-13(12)15/h2-7,9H,8,15-16H2,1H3",C14H16N2,,,,,,JNBOIADEIRQOQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.905,286-825-9,85391-69-1,"6-(phenylmethylene)-1,4-dioxaspiro[4.5]decane","6-benzylidene-1,4-dioxaspiro[4.5]decane",C3CCC(=Cc1ccccc1)C2(OCCO2)C3,C3CCC(=Cc1ccccc1)C2(OCCO2)C3,"InChI=1/C15H18O2/c1-2-6-13(7-3-1)12-14-8-4-5-9-15(14)16-10-11-17-15/h1-3,6-7,12H,4-5,8-11H2",C15H18O2,,,,,,WSTQUIZIWKMGSP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.907,286-828-5,85391-71-5,4-chloro-2-(2-methoxyphenoxy)benzothiazole,"4-chloro-2-(2-methoxyphenoxy)-1,3-benzothiazole",COc1ccccc1Oc2nc3c(Cl)cccc3s2,COc1ccccc1Oc2nc3c(Cl)cccc3s2,"InChI=1/C14H10ClNO2S/c1-17-10-6-2-3-7-11(10)18-14-16-13-9(15)5-4-8-12(13)19-14/h2-8H,1H3",C14H10ClNO2S,,,,,,YWBPXRWTPJUFDW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.910,286-831-1,85391-75-9,"(-)-1,3,4,14b-tetrahydro-2,7-dimethyl-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine maleate","2,7-dimethyl-1,3,4,14b-tetrahydro-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine but-2-enedioate",CN1CCN2C(C1)c3ccccc3Oc4ccc(C)cc24.OC(=O)\\C=C/C(=O)O,CN1CCN2C(C1)c3ccccc3Oc4ccc(C)cc24.OC(=O)\C=C/C(=O)O,"InChI=1/C18H20N2O.C4H4O4/c1-13-7-8-18-15(11-13)20-10-9-19(2)12-16(20)14-5-3-4-6-17(14)21-18;5-3(6)1-2-4(7)8/h3-8,11,16H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)",C18H20N2O.C4H4O4,,,,,,AWRICOJVWDPBQF-BTJKTKAUSA-N,,,,,,,,,,,
100.078.923,286-845-8,85391-89-5,"4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one","4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one",CC1(C)C2CC(=O)C(C)(O)CC12,CC1(C)C2CC(=O)C(C)(O)CC12,"InChI=1/C10H16O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-7,12H,4-5H2,1-3H3",C10H16O2,,,,,,ZPUQSQULULBFIN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.874,298-909-2,93840-45-0,6-tert-butyl-2-cyclopentyl-4-(methoxymethyl)phenol,2-tert-butyl-6-cyclopentyl-4-(methoxymethyl)phenol,COCc1cc(C2CCCC2)c(O)c(c1)C(C)(C)C,COCc1cc(C2CCCC2)c(O)c(c1)C(C)(C)C,"InChI=1/C17H26O2/c1-17(2,3)15-10-12(11-19-4)9-14(16(15)18)13-7-5-6-8-13/h9-10,13,18H,5-8,11H2,1-4H3",C17H26O2,,,,,,QFKRWIHLPCNTDS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.509,300-706-1,93962-68-6,3-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)propan-1-one,3-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)propan-1-one,Oc1ccc(Cl)cc1CCC(=O)c2ccc(Cl)cc2,Oc1ccc(Cl)cc1CCC(=O)c2ccc(Cl)cc2,"InChI=1/C15H12Cl2O2/c16-12-4-1-10(2-5-12)14(18)7-3-11-9-13(17)6-8-15(11)19/h1-2,4-6,8-9,19H,3,7H2",C15H12Cl2O2,,,,,,MEQOQDZHCOVXMB-UHFFFAOYSA-N,,,,,,,,,,,
100.090.435,299-525-8,93892-42-3,"6-cyclopentyl-1,1,3,3-tetramethylindan-5-ol","6-cyclopentyl-1,1,3,3-tetramethylindan-5-ol",CC1(C)CC(C)(C)c2cc(C3CCCC3)c(O)cc12,CC1(C)CC(C)(C)c2cc(C3CCCC3)c(O)cc12,"InChI=1/C18H26O/c1-17(2)11-18(3,4)15-10-16(19)13(9-14(15)17)12-7-5-6-8-12/h9-10,12,19H,5-8,11H2,1-4H3",C18H26O,,,,,,IAXRJXQHJSFPBF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.436,299-526-3,93892-43-4,"2,2'-(2-methylpropylidene)bis[5-cyclopentyl-p-cresol]","2,2'-(2-methylpropane-1,1-diyl)bis(5-cyclopentyl-4-methylphenol)",CC(C)C(c1cc(C)c(cc1O)C2CCCC2)c3cc(C)c(cc3O)C4CCCC4,CC(C)C(c1cc(C)c(cc1O)C2CCCC2)c3cc(C)c(cc3O)C4CCCC4,"InChI=1/C28H38O2/c1-17(2)28(24-13-18(3)22(15-26(24)29)20-9-5-6-10-20)25-14-19(4)23(16-27(25)30)21-11-7-8-12-21/h13-17,20-21,28-30H,5-12H2,1-4H3",C28H38O2,,,,,,HJWMYGHHFIQRCH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.437,299-527-9,93892-44-5,"4,4'-methylenebis[6-cyclopentyl-3,3-dimethylindan-5-ol]","4,4'-methylenebis(6-cyclopentyl-3,3-dimethylindan-5-ol)",CC1(C)CCc2cc(C3CCCC3)c(O)c(Cc4c(O)c(cc5CCC(C)(C)c45)C6CCCC6)c12,CC1(C)CCc2cc(C3CCCC3)c(O)c(Cc4c(O)c(cc5CCC(C)(C)c45)C6CCCC6)c12,"InChI=1/C33H44O2/c1-32(2)15-13-22-17-24(20-9-5-6-10-20)30(34)26(28(22)32)19-27-29-23(14-16-33(29,3)4)18-25(31(27)35)21-11-7-8-12-21/h17-18,20-21,34-35H,5-16,19H2,1-4H3",C33H44O2,,,,,,BFMRXSZZYNJRHW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.444,299-535-2,93892-51-4,(5-methoxy-1-methylpenten-1-yl)cyclohexane,(5-methoxy-1-methylpent-1-en-1-yl)cyclohexane,CC(=CCCCOC)C1CCCCC1,CC(=CCCCOC)C1CCCCC1,"InChI=1/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h8,13H,3-7,9-11H2,1-2H3",C13H24O,,,,,,CACMRWNQXOHQOE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.445,299-536-8,93892-52-5,(5-methoxy-1-methylenepentyl)cyclohexane,(5-methoxy-1-methylenepentyl)cyclohexane,COCCCCC(=C)C1CCCCC1,COCCCCC(=C)C1CCCCC1,"InChI=1/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h13H,1,3-11H2,2H3",C13H24O,,,,,,AGBZDYNQIZQHHY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.446,299-537-3,93892-53-6,3-cyclooctylidene-2-methylpropyl acetate,3-cyclooctylidene-2-methylpropyl acetate,CC(COC(=O)C)C=C1CCCCCCC1,CC(COC(=O)C)C=C1CCCCCCC1,"InChI=1/C14H24O2/c1-12(11-16-13(2)15)10-14-8-6-4-3-5-7-9-14/h10,12H,3-9,11H2,1-2H3",C14H24O2,,,,,,RUFVZOVYGPWUAD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.447,299-538-9,93892-54-7,"5-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)pentan-1-ol","5-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)pentan-1-ol",CC2(C)C1CCC(C1)C2=CCCCCO,CC2(C)C1CCC(C1)C2=CCCCCO,"InChI=1/C14H24O/c1-14(2)12-8-7-11(10-12)13(14)6-4-3-5-9-15/h6,11-12,15H,3-5,7-10H2,1-2H3",C14H24O,,,,,,NMFZKBFSVCPDJM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.451,299-543-6,93892-58-1,"Methyl 1,2,3,4,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate","methyl 2,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-2-carboxylate",COC(=O)C1(C)CCC2=CCCC(C)(C)C2C1,COC(=O)C1(C)CCC2=CCCC(C)(C)C2C1,"InChI=1/C15H24O2/c1-14(2)8-5-6-11-7-9-15(3,10-12(11)14)13(16)17-4/h6,12H,5,7-10H2,1-4H3",C15H24O2,,,,,,ZMXFFZBRNBVZAS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.323,302-703-0,94133-43-4,"(S)-3,7-dimethyloct-6-enyl butyrate","3,7-dimethyloct-6-en-1-yl butyrate",CCCC(=O)OCC[C@@H](C)CCC=C(C)C,CCCC(=O)OCC[C@@H](C)CCC=C(C)C,"InChI=1/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3",C14H26O2,,,,,,XQPZQXTWYZAXAK-ZDUSSCGKSA-N,,,,,,,,,,,
100.093.325,302-705-1,94133-45-6,"1-amino-4-((4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-9,10-dihydro-9,10-dioxoanthracenesulphonic acid","1-amino-4-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-9,10-dioxo-1,2,9,10-tetrahydroanthracene-1-sulfonic acid",Nc1ccc(NC2=CCC(N)(C3=C2C(=O)c4ccccc4C3=O)S(=O)(=O)O)c5C(=O)c6ccccc6C(=O)c15,Nc1ccc(NC2=CCC(N)(C3=C2C(=O)c4ccccc4C3=O)S(=O)(=O)O)c5C(=O)c6ccccc6C(=O)c15,"InChI=1/C28H19N3O7S/c29-17-9-10-18(21-20(17)24(32)13-5-1-2-6-14(13)25(21)33)31-19-11-12-28(30,39(36,37)38)23-22(19)26(34)15-7-3-4-8-16(15)27(23)35/h1-11,31H,12,29-30H2,(H,36,37,38)",C28H17N3O7S,,,,,,RHXWLDRGSCWNOU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.464,299-557-2,93892-71-8,Dialuminium tris[2-methylnaphthalenesulphonate],dialuminium tris[2-methylnaphthalenesulphonate],[Al+3].[Al+3].Cc1ccc2ccccc2c1S(=O)(=O)[O-].Cc3ccc4ccccc4c3S(=O)(=O)[O-].Cc5ccc6ccccc6c5S(=O)(=O)[O-],[Al+3].[Al+3].Cc1ccc2ccccc2c1S(=O)(=O)[O-].Cc3ccc4ccccc4c3S(=O)(=O)[O-].Cc5ccc6ccccc6c5S(=O)(=O)[O-],"InChI=1/3C11H10O3S.2Al/c3*1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;;/h3*2-7H,1H3,(H,12,13,14);;/q;;;2*+3/p-3",C11H10O3S.1/3Al,,,,,,BYLUHYCACXSEQC-UHFFFAOYSA-K,,,,,,,,,,,
100.092.351,301-632-2,94023-34-4,"N,N'-[iminobis(ethyleneiminoethylene)]bis(dodecanamide) monoacetate","N-(13-oxo-3,6,9,12-tetraazatetracos-1-yl)dodecanamide acetate (non-preferred name)",CCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O,"InChI=1/C32H67N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-31(38)36-29-27-34-25-23-33-24-26-35-28-30-37-32(39)22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h33-35H,3-30H2,1-2H3,(H,36,38)(H,37,39);1H3,(H,3,4)",C32H67N5O2.C2H4O2,,,,,,IGHUMDFQSZVAKT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.354,301-635-9,94023-37-7,"N,N'-[iminobis(ethyleneiminoethylene)]bispalmitamide monoacetate","N-(13-oxo-3,6,9,12-tetraazaoctacos-1-yl)hexadecanamide acetate (non-preferred name)",CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C40H83N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(46)44-37-35-42-33-31-41-32-34-43-36-38-45-40(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h41-43H,3-38H2,1-2H3,(H,44,46)(H,45,47);1H3,(H,3,4)",C40H83N5O2.C2H4O2,,,,,,QNYSDBVQHXTNPD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.287,298-263-1,93783-67-6,Dilithium tetrabutylmagnesate(2-),dilithium tetrabutylmagnesate(2-),[Li+].[Li+].CCCC[Mg-2](CCCC)(CCCC)CCCC,[Li+].[Li+].CCCC[Mg-2](CCCC)(CCCC)CCCC,"InChI=1/4C4H9.2Li.Mg/c4*1-3-4-2;;;/h4*1,3-4H2,2H3;;;/q;;;;2*+1;-2/rC16H36Mg.2Li/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;;/q-2;2*+1",C16H36Mg.2Li,,,,,,BWEPWVMNJLAXAA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.302,298-279-9,93803-06-6,Diethyl[3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]methylammonium iodide,"N,N-diethyl-3-{[(heptadecafluorooctyl)sulfonyl]amino}-N-methylpropan-1-aminium iodide",[I-].CC[N+](C)(CC)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].CC[N+](C)(CC)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H20F17N2O2S.HI/c1-4-35(3,5-2)8-6-7-34-38(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31;/h34H,4-8H2,1-3H3;1H/q+1;/p-1",C16H20F17N2O2S.I,,,,,,ZIZNQVVBCZRJKW-UHFFFAOYSA-M,,,,,,,,,,,
100.089.304,298-282-5,93803-08-8,"Octanoic acid, compound with hydroxylamine (1:1)",octanoic acid - hydroxylamine (1:1),CCCCCCCC(=O)O.NO,CCCCCCCC(=O)O.NO,"InChI=1/C8H16O2.H3NO/c1-2-3-4-5-6-7-8(9)10;1-2/h2-7H2,1H3,(H,9,10);2H,1H2",C8H16O2.H3NO,,,,,,JZEZSSRLXAUFEE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.310,298-288-8,93803-19-1,2-hydroxy-3-[(1-oxooctadecyl)oxy]propyldimethyl[3-[(1-oxoicosyl)amino]propyl]ammonium chloride,"2-hydroxy-N-[3-(icosanoylamino)propyl]-N,N-dimethyl-3-(stearoyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)COC(=O)CCCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C46H92N2O4.ClH/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-38-45(50)47-40-37-41-48(3,4)42-44(49)43-52-46(51)39-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-2;/h44,49H,5-43H2,1-4H3;1H",C46H93N2O4.Cl,,,,,,JJWUBHYZIHWYOS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.311,298-289-3,93803-20-4,2-hydroxy-3-[(oxooctadecyl)oxy]propyldimethyl[3-[(1-oxodocosyl)amino]propyl]ammonium chloride,"N-[3-(docosanoylamino)propyl]-2-hydroxy-N,N-dimethyl-3-(stearoyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)COC(=O)CCCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C48H96N2O4.ClH/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-40-47(52)49-42-39-43-50(3,4)44-46(51)45-54-48(53)41-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-2;/h46,51H,5-45H2,1-4H3;1H",C48H97N2O4.Cl,,,,,,QYZQERTZVUODMS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.317,298-296-1,93803-26-0,"2,6-dimethyl-1-(3-sulphonatopropyl)pyridinium","3-(2,6-dimethylpyridinium-1-yl)propane-1-sulfonate",Cc1cccc(C)[n+]1CCCS(=O)(=O)[O-],Cc1cccc(C)[n+]1CCCS(=O)(=O)[O-],"InChI=1/C10H15NO3S/c1-9-5-3-6-10(2)11(9)7-4-8-15(12,13)14/h3,5-6H,4,7-8H2,1-2H3",C10H15NO3S,,,,,,SZXKBAYUORLNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.323,298-302-2,93803-32-8,"Trisodium 4-[[1-hydroxy-8-[[1-oxo-3-(phenylsulphonyl)propyl]amino]-3,6-disulphonato-2-naphthyl]azo]benzoate","trisodium 4-[(1-hydroxy-8-{[3-(phenylsulfonyl)propanoyl]amino}-3,6-disulfonato-2-naphthyl)diazenyl]benzoate",[Na+].[Na+].[Na+].O=S(=O)(CCC(=O)Nc2cc(cc3cc(c(N=Nc1ccc(cc1)C([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c4ccccc4,[Na+].[Na+].[Na+].O=S(=O)(CCC(=O)Nc2cc(cc3cc(c(N=Nc1ccc(cc1)C([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)c4ccccc4,"InChI=1/C26H21N3O12S3.3Na/c30-22(10-11-42(34,35)18-4-2-1-3-5-18)27-20-14-19(43(36,37)38)12-16-13-21(44(39,40)41)24(25(31)23(16)20)29-28-17-8-6-15(7-9-17)26(32)33;;;/h1-9,12-14,31H,10-11H2,(H,27,30)(H,32,33)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3",C26H21N3O12S3.3Na,,,,,,ZSKWXQUHWGAJEH-UHFFFAOYSA-K,,,,,,,,,,,
100.091.203,300-370-6,93939-80-1,"Sodium (E)-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate","sodium cyclohexa-1,4-dien-1-yl[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate",[Na+].COC(=O)\\C=C(/C)\\NC(C(=O)[O-])C1=CCC=CC1,[Na+].COC(=O)\C=C(/C)\NC(C(=O)[O-])C1=CCC=CC1,"InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1",C13H17NO4.Na,,,,,,XWVDGMIXJIIFTO-HRNDJLQDSA-M,,,,,,,,,,,
100.091.525,300-723-4,93962-84-6,"(octahydro-4,7-methano-1H-indenyl)methyl acrylate","octahydro-1H-4,7-methanoinden-1-ylmethyl acrylate",C=CC(=O)OCC1CCC2C3CCC(C3)C12,C=CC(=O)OCC1CCC2C3CCC(C3)C12,"InChI=1/C14H20O2/c1-2-13(15)16-8-11-5-6-12-9-3-4-10(7-9)14(11)12/h2,9-12,14H,1,3-8H2",C14H20O2,,,,,,PMPNHSZLJPXGCD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.526,300-725-5,93962-85-7,Ammonium diheptylnaphthalenesulphonate,"ammonium 2,3-diheptylnaphthalene-1-sulfonate",[NH4+].CCCCCCCc1cc2ccccc2c(c1CCCCCCC)S(=O)(=O)[O-],[NH4+].CCCCCCCc1cc2ccccc2c(c1CCCCCCC)S(=O)(=O)[O-],"InChI=1/C24H36O3S.H3N/c1-3-5-7-9-11-15-20-19-21-16-13-14-18-23(21)24(28(25,26)27)22(20)17-12-10-8-6-4-2;/h13-14,16,18-19H,3-12,15,17H2,1-2H3,(H,25,26,27);1H3",C24H36O3S.H3N,,,,,,UWASBNOHSIELBY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.529,300-728-1,93962-88-0,Tetraeuropium hexaphosphate,tetraeuropium hexaphosphate,[Eu+2].[Eu+2].[Eu+2].[Eu+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[Eu+2].[Eu+2].[Eu+2].[Eu+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/4Eu.6H3O4P/c;;;;6*1-5(2,3)4/h;;;;6*(H3,1,2,3,4)/q4*+2;;;;;;/p-18",Eu.3/4H4O7P2,,,,,,LDMPHZXBHJXDAN-UHFFFAOYSA-A,,,,,,,,,,,
100.092.398,301-684-6,94030-78-1,[2-[(2-amino-4-nitrophenyl)thio]-5-nitrophenyl] phenyl ketone,{2-[(2-amino-4-nitrophenyl)sulfanyl]-5-nitrophenyl}(phenyl)methanone,Nc1cc(ccc1Sc2ccc(cc2C(=O)c3ccccc3)[N+](=O)[O-])[N+](=O)[O-],Nc1cc(ccc1Sc2ccc(cc2C(=O)c3ccccc3)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C19H13N3O5S/c20-16-11-14(22(26)27)7-9-18(16)28-17-8-6-13(21(24)25)10-15(17)19(23)12-4-2-1-3-5-12/h1-11H,20H2",C19H13N3O5S,,,,,,GQJMBYHJULRYJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.403,301-689-3,94030-84-9,2-(3-ethoxy-3-oxoprop-1-enyl)phenyl butyrate,2-(3-ethoxy-3-oxoprop-1-en-1-yl)phenyl butyrate,O=C(Oc1ccccc1C=CC(=O)OCC)CCC,O=C(Oc1ccccc1C=CC(=O)OCC)CCC,"InChI=1/C15H18O4/c1-3-7-15(17)19-13-9-6-5-8-12(13)10-11-14(16)18-4-2/h5-6,8-11H,3-4,7H2,1-2H3",C15H18O4,,,,,,ALJYPZLVMYTXLG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.404,301-690-9,94030-85-0,"Ethyl 1-isopropyl-4-methylspiro[bicyclo[3.1.0]hexane-3,2'-oxirane]-3'-carboxylate","ethyl 1-isopropyl-4-methylspiro[bicyclo[3.1.0]hexane-3,2'-oxirane]-3'-carboxylate",CCOC(=O)C1OC12CC3(CC3C2C)C(C)C,CCOC(=O)C1OC12CC3(CC3C2C)C(C)C,"InChI=1/C14H22O3/c1-5-16-12(15)11-14(17-11)7-13(8(2)3)6-10(13)9(14)4/h8-11H,5-7H2,1-4H3",C14H22O3,,,,,,WWOIOOMYUBAKDI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.411,301-698-2,94030-93-0,Uronium bromide,amino(hydroxy)methaniminium bromide,[Br-].NC(=[NH2+])O,[Br-].NC(=[NH2+])O,"InChI=1/CH4N2O.BrH/c2-1(3)4;/h(H4,2,3,4);1H",CH4N2O.BrH,,,,,,DXXBBUOVGDAFFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.414,301-701-7,94030-96-3,"N-[[5-(2-fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin-2-yl]methyl]phthalimide","2-{[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione",CN1C(CN2C(=O)c3ccccc3C2=O)CN=C(c4ccccc4F)c5ccccc15,CN1C(CN2C(=O)c3ccccc3C2=O)CN=C(c4ccccc4F)c5ccccc15,"InChI=1/C25H20FN3O2/c1-28-16(15-29-24(30)17-8-2-3-9-18(17)25(29)31)14-27-23(19-10-4-6-12-21(19)26)20-11-5-7-13-22(20)28/h2-13,16H,14-15H2,1H3",C25H20FN3O2,,,,,,GJJJVONLYFECJX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.416,301-703-8,94030-99-6,"2-(dimethylheptyl)-4,5-dihydro-1-(2-hydroxyethyl)-3-methyl-1H-imidazolium methyl sulphate","2-(1,1-dimethylheptyl)-1-(2-hydroxyethyl)-3-methylimidazolidin-1-ium methyl sulfate",CCCCCCC(C)(C)C1N(C)CC[NH+]1CCO.COS(=O)(=O)[O-],CCCCCCC(C)(C)C1N(C)CC[NH+]1CCO.COS(=O)(=O)[O-],"InChI=1/C15H32N2O.CH4O4S/c1-5-6-7-8-9-15(2,3)14-16(4)10-11-17(14)12-13-18;1-5-6(2,3)4/h14,18H,5-13H2,1-4H3;1H3,(H,2,3,4)",C15H31N2O.CH3O4S,,,,,,FDTDKFWHRUYBQT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.431,301-720-0,94031-15-9,Zinc ethylbenzenesulphonate,zinc bis(2-ethylbenzenesulfonate),[Zn+2].CCc1ccccc1S(=O)(=O)[O-].CCc2ccccc2S(=O)(=O)[O-],[Zn+2].CCc1ccccc1S(=O)(=O)[O-].CCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C8H10O3S.Zn/c2*1-2-7-5-3-4-6-8(7)12(9,10)11;/h2*3-6H,2H2,1H3,(H,9,10,11);/q;;+2/p-2",C8H10O3S.1/2Zn,,,,,,APWYNFQZSMSPTQ-UHFFFAOYSA-L,,,,,,,,,,,
100.092.435,301-724-2,94031-19-3,"Bis(3,5,5-trimethylhexyl) hydrogen benzene-1,2,4-tricarboxylate","3,4-bis{[(3,5,5-trimethylhexyl)oxy]carbonyl}benzoic acid",CC(CCOC(=O)c1ccc(cc1C(=O)OCCC(C)CC(C)(C)C)C(=O)O)CC(C)(C)C,CC(CCOC(=O)c1ccc(cc1C(=O)OCCC(C)CC(C)(C)C)C(=O)O)CC(C)(C)C,"InChI=1/C27H42O6/c1-18(16-26(3,4)5)11-13-32-24(30)21-10-9-20(23(28)29)15-22(21)25(31)33-14-12-19(2)17-27(6,7)8/h9-10,15,18-19H,11-14,16-17H2,1-8H3,(H,28,29)",C27H42O6,,,,,,NBYNKFCKZBVTMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.932,286-855-2,85391-98-6,"3-allyloctahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one","3-allyl-7-methyloctahydro-1,4-methanonaphthalen-6(2H)-one",CC1CC2C3CC(CC=C)C(C3)C2CC1=O,CC1CC2C3CC(CC=C)C(C3)C2CC1=O,"InChI=1/C15H22O/c1-3-4-10-6-11-7-13(10)14-8-15(16)9(2)5-12(11)14/h3,9-14H,1,4-8H2,2H3",C15H22O,,,,,,YINSTAKFHVTOTH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.936,286-859-4,85392-02-5,"3,4-dihydro-8-(oxiranylmethoxy)-2H-1-benzothiopyran","2-[(3,4-dihydro-2H-thiochromen-8-yloxy)methyl]oxirane",C(Oc1cccc2CCCSc12)C3CO3,C(Oc1cccc2CCCSc12)C3CO3,"InChI=1/C12H14O2S/c1-3-9-4-2-6-15-12(9)11(5-1)14-8-10-7-13-10/h1,3,5,10H,2,4,6-8H2",C12H14O2S,,,,,,FFNGJGCZNRBBER-UHFFFAOYSA-N,,,,,,,,,,,
100.078.938,286-862-0,85392-04-7,6-decenoic acid,dec-6-enoic acid,OC(=O)CCCCC=CCCC,OC(=O)CCCCC=CCCC,"InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5H,2-3,6-9H2,1H3,(H,11,12)",C10H18O2,,,,,,IZOFWCYKCWUJBY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.473,299-567-7,93892-80-9,"Octasodium octahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","octasodium octahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.8Na/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;/q;8*+1/p-16",C18H52N6O24P8.8Na,,,,,,MBPUTOOPJDPQFR-UHFFFAOYSA-A,,,,,,,,,,,
100.090.479,299-574-5,93892-86-5,"Nonapotassium heptahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","nonapotassium heptahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.9K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;/q;9*+1/p-16",C18H52N6O24P8.9K,,,,,,RPHIHSPUZPTKFY-UHFFFAOYSA-A,,,,,,,,,,,
100.090.480,299-575-0,93892-87-6,"Decapotassium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diyl[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","decapotassium hexahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.10K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;/q;10*+1/p-16",C18H52N6O24P8.10K,,,,,,QZLHRTXBUXCXIP-UHFFFAOYSA-A,,,,,,,,,,,
100.090.484,299-579-2,93892-92-3,(3-chloro-2-hydroxypropyl)diethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"N-[2-(acryloyloxy)ethyl]-3-chloro-N,N-diethyl-2-hydroxypropan-1-aminium chloride",[Cl-].CC[N+](CC)(CCOC(=O)C=C)CC(O)CCl,[Cl-].CC[N+](CC)(CCOC(=O)C=C)CC(O)CCl,"InChI=1/C12H23ClNO3.ClH/c1-4-12(16)17-8-7-14(5-2,6-3)10-11(15)9-13;/h4,11,15H,1,5-10H2,2-3H3;1H/q+1;/p-1",C12H23ClNO3.Cl,,,,,,OSTKAQFMBFJQJS-UHFFFAOYSA-M,,,,,,,,,,,
100.090.486,299-581-3,93892-95-6,Diethylmethyl[2-[(1-oxoallyl)amino]ethyl]ammonium methyl sulphate,N-[2-(acryloylamino)ethyl]pentan-3-aminium methyl sulfate,CCC(CC)[NH2+]CCNC(=O)C=C.COS(=O)(=O)[O-],CCC(CC)[NH2+]CCNC(=O)C=C.COS(=O)(=O)[O-],"InChI=1/C10H20N2O.CH4O4S/c1-4-9(5-2)11-7-8-12-10(13)6-3;1-5-6(2,3)4/h6,9,11H,3-5,7-8H2,1-2H3,(H,12,13);1H3,(H,2,3,4)",C10H21N2O.CH3O4S,,,,,,IRKBBKQMDDNBMC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.487,299-582-9,93892-96-7,"N-[1,2-dihydroxy-2-[[1-oxo-3-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propyl]amino]ethyl]acrylamide","N-[2-(acryloylamino)-1,2-dihydroxyethyl]-N~3~-[2-(2-oxoimidazolidin-1-yl)ethyl]-beta-alaninamide",OC(NC(=O)CCNCCN1CCNC1=O)C(O)NC(=O)C=C,OC(NC(=O)CCNCCN1CCNC1=O)C(O)NC(=O)C=C,"InChI=1/C13H23N5O5/c1-2-9(19)16-11(21)12(22)17-10(20)3-4-14-5-7-18-8-6-15-13(18)23/h2,11-12,14,21-22H,1,3-8H2,(H,15,23)(H,16,19)(H,17,20)",C13H23N5O5,,,,,,GODVJDLFOSJHED-UHFFFAOYSA-N,,,,,,,,,,,
100.093.338,302-719-8,94133-58-1,Oct-3-enyl propionate,oct-3-en-1-yl propionate,CCC(=O)OCCC=CCCCC,CCC(=O)OCCC=CCCCC,"InChI=1/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3",C11H20O2,,,,,,NTQOADMSKSBQCI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.342,302-724-5,94133-62-7,"4-amino-3,5-dichloro-6-fluoro-2-pyridone","4-amino-3,5-dichloro-6-fluoropyridin-2(1H)-one",NC1=C(Cl)C(=O)NC(=C1Cl)F,NC1=C(Cl)C(=O)NC(=C1Cl)F,"InChI=1/C5H3Cl2FN2O/c6-1-3(9)2(7)5(11)10-4(1)8/h(H3,9,10,11)",C5H3Cl2FN2O,,,,,,JPMASQTVFRLSAV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.347,302-729-2,94133-67-2,"1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carbonyl chloride","1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbonyl chloride",FC(F)(F)c1ccc2c(cc3c(Cl)cc(Cl)cc3c2c1)C(=O)Cl,FC(F)(F)c1ccc2c(cc3c(Cl)cc(Cl)cc3c2c1)C(=O)Cl,"InChI=1/C16H6Cl3F3O/c17-8-4-11-10-3-7(16(20,21)22)1-2-9(10)13(15(19)23)6-12(11)14(18)5-8/h1-6H",C16H6Cl3F3O,,,,,,NJKFWXUBFGNOOC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.350,302-732-9,94133-70-7,"N,N-dibutyl-1,3-dichloro-ß-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide","N,N-dibutyl-3-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-3-hydroxypropanamide",CCCCN(CCCC)C(=O)CC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,CCCCN(CCCC)C(=O)CC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,"InChI=1/C26H28Cl2F3NO2/c1-3-5-9-32(10-6-4-2)25(34)15-24(33)22-14-21-20(12-17(27)13-23(21)28)19-11-16(26(29,30)31)7-8-18(19)22/h7-8,11-14,24,33H,3-6,9-10,15H2,1-2H3",C26H28Cl2F3NO2,,,,,,SGPMBCWVUOBUPW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.478,298-472-8,93804-93-4,"5-oxo-L-proline, compound with a-(1-aminoethyl)benzyl alcohol (1:1)",5-oxo-L-proline - 2-amino-1-phenylpropan-1-ol (1:1),CC(N)C(O)c1ccccc1.OC(=O)[C@@H]2CCC(=O)N2,CC(N)C(O)c1ccccc1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C9H13NO.C5H7NO3/c1-7(10)9(11)8-5-3-2-4-6-8;7-4-2-1-3(6-4)5(8)9/h2-7,9,11H,10H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C9H13NO.C5H7NO3,,,,,,AABUXZMOFROJNY-HVDRVSQOSA-N,,,,,,,,,,,
100.089.488,298-483-8,93805-03-9,"Disodium 4-[bis[4-[ethyl(phenylmethyl)amino]phenyl]methyl]benzene-1,3-disulphonate","disodium 4-(bis{4-[benzyl(ethyl)amino]phenyl}methyl)benzene-1,3-disulfonate",[Na+].[Na+].CCN(Cc1ccccc1)c2ccc(cc2)C(c3ccc(cc3)N(CC)Cc4ccccc4)c5ccc(cc5S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCN(Cc1ccccc1)c2ccc(cc2)C(c3ccc(cc3)N(CC)Cc4ccccc4)c5ccc(cc5S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C37H38N2O6S2.2Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;;/h5-25,37H,3-4,26-27H2,1-2H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C37H38N2O6S2.2Na,,,,,,LYWDEKMKOSAITN-UHFFFAOYSA-L,,,,,,,,,,,
100.089.489,298-484-3,93805-04-0,2-[[(2-methyl-5-nitrophenyl)sulphonyl]amino]benzoic acid,2-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}benzoic acid,Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)[N+](=O)[O-],Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)[N+](=O)[O-],"InChI=1/C14H12N2O6S/c1-9-6-7-10(16(19)20)8-13(9)23(21,22)15-12-5-3-2-4-11(12)14(17)18/h2-8,15H,1H3,(H,17,18)",C14H12N2O6S,,,,,,HTZHIPSYUAFAFE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.494,298-490-6,93805-09-5,"Isobutyl 2,3-dihydro-2-oxo-1H-imidazole-4-carboxylate","isobutyl 2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate",CC(C)COC(=O)C1=CNC(=O)N1,CC(C)COC(=O)C1=CNC(=O)N1,"InChI=1/C8H12N2O3/c1-5(2)4-13-7(11)6-3-9-8(12)10-6/h3,5H,4H2,1-2H3,(H2,9,10,12)",C8H12N2O3,,,,,,HMMXWWBZHZHPNU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.496,298-492-7,93805-11-9,1H-benzotriazol-5-amine monohydrochloride,1H-benzotriazol-6-amine hydrochloride,Cl.Nc1ccc2nn[nH]c2c1,Cl.Nc1ccc2nn[nH]c2c1,"InChI=1/C6H6N4.ClH/c7-4-1-2-5-6(3-4)9-10-8-5;/h1-3H,7H2,(H,8,9,10);1H",C6H6N4.ClH,,,,,,MGMSFWOAKOLQEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.497,298-493-2,93805-12-0,2-[[2-(ethylthio)ethyl]thio]ethylammonium sulphate (2:1),bis(2-{[2-(ethylsulfanyl)ethyl]sulfanyl}ethanaminium) sulfate,CCSCCSCC[NH3+].CCSCCSCC[NH3+].[O-]S(=O)(=O)[O-],CCSCCSCC[NH3+].CCSCCSCC[NH3+].[O-]S(=O)(=O)[O-],"InChI=1/2C6H15NS2.H2O4S/c2*1-2-8-5-6-9-4-3-7;1-5(2,3)4/h2*2-7H2,1H3;(H2,1,2,3,4)",C6H15NS2.1/2H2O4S,,,,,,OOCOPSBBWPAGEN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.499,298-495-3,93805-14-2,"Hexapotassium 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate]","hexapotassium 4,4'-{1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis{5-hydroxy-6-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate}",[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)c9ccccc9N=Nc1c(O)c8c(cc1S([O-])(=O)=O)cc(cc8Nc2nc(nc(Cl)n2)Nc3ccc(cc3)Nc7nc(Nc5cc(cc6cc(c(N=Nc4ccccc4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n7)S([O-])(=O)=O,[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)c9ccccc9N=Nc1c(O)c8c(cc1S([O-])(=O)=O)cc(cc8Nc2nc(nc(Cl)n2)Nc3ccc(cc3)Nc7nc(Nc5cc(cc6cc(c(N=Nc4ccccc4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n7)S([O-])(=O)=O,"InChI=1/C44H30Cl2N14O20S6.6K/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74;;;;;;/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;;;;;/q;6*+1/p-6",C44H30Cl2N14O20S6.6K,,,,,,IXANHRIECIXNKD-UHFFFAOYSA-H,,,,,,,,,,,
100.093.421,302-810-2,94134-42-6,1-[bis(2-phenylethoxy)methyl]-4-methoxybenzene,1-[bis(2-phenylethoxy)methyl]-4-methoxybenzene,COc1ccc(cc1)C(OCCc2ccccc2)OCCc3ccccc3,COc1ccc(cc1)C(OCCc2ccccc2)OCCc3ccccc3,"InChI=1/C24H26O3/c1-25-23-14-12-22(13-15-23)24(26-18-16-20-8-4-2-5-9-20)27-19-17-21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3",C24H26O3,,,,,,MCHNHTONQUYDHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.435,302-825-4,94134-56-2,"5,5-dibutyl-3,3,7,7-tetramethoxy-2,4,6,8-tetraoxa-3,7-disila-5-stannanonane","5,5-dibutyl-3,3,7,7-tetramethoxy-2,4,6,8-tetraoxa-3,7-disila-5-stannanonane",CCCC[Sn](CCCC)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC,CCCC[Sn](CCCC)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC,"InChI=1/2C4H9.2C3H9O4Si.Sn/c2*1-3-4-2;2*1-5-8(4,6-2)7-3;/h2*1,3-4H2,2H3;2*1-3H3;/q;;2*-1;+2/rC14H36O8Si2Sn/c1-9-11-13-25(14-12-10-2,21-23(15-3,16-4)17-5)22-24(18-6,19-7)20-8/h9-14H2,1-8H3",C14H36O8Si2Sn,,,,,,KDBDGXGCXZIIDT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.439,302-830-1,94134-60-8,"(3a,16a)-eburnamenin-14(15H)-one phosphate (1:1)",-,CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45.[O-]P(=O)([O-])[O-],CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45.[O-]P(=O)([O-])[O-],"InChI=1/C19H22N2O.H3O4P/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20;1-5(2,3)4/h3-4,6-7,18H,2,5,8-12H2,1H3;(H3,1,2,3,4)/p-3",C19H22N2O.H3O4P,,,,,,RVHMKJRPCKDXCS-VOMIJIAVSA-K,,,,,,,,,,,
100.091.213,300-381-6,93939-90-3,Tetradecasodium [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"tetradecasodium [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.14Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;;;;;;/q;14*+1/p-14",C15H44N5O21P7.14Na,,,,,,RZJDLGPFMTYOCN-UHFFFAOYSA-A,,,,,,,,,,,
100.091.223,300-392-6,93940-00-2,"Disodium 6-[[2,6-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonate","disodium 6-({2,6-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].Oc4c(ccc(O)c4N=Nc2cc3c(O)c(N=Nc1ccc(cc1)[N+]([O-])=O)c(cc3cc2)S([O-])(=O)=O)N=Nc5cc(cc([N+]([O-])=O)c5O)S([O-])(=O)=O,[Na+].[Na+].Oc4c(ccc(O)c4N=Nc2cc3c(O)c(N=Nc1ccc(cc1)[N+]([O-])=O)c(cc3cc2)S([O-])(=O)=O)N=Nc5cc(cc([N+]([O-])=O)c5O)S([O-])(=O)=O,"InChI=1/C28H18N8O14S2.2Na/c37-22-8-7-19(31-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)28(40)24(22)33-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C28H18N8O14S2.2Na,,,,,,HKNXIPSDRJZBDM-UHFFFAOYSA-L,,,,,,,,,,,
100.091.225,300-394-7,93940-02-4,"Disodium 4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-{[2,4-dihydroxy-3-(phenyldiazenyl)phenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccccc1)N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccccc1)N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C22H16N4O9S2.2Na/c27-18-7-6-16(22(29)21(18)26-23-13-4-2-1-3-5-13)24-25-17-10-14(36(30,31)32)8-12-9-15(37(33,34)35)11-19(28)20(12)17;;/h1-11,27-29H,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C22H16N4O9S2.2Na,,,,,,XELOODZFBHGMRI-UHFFFAOYSA-L,,,,,,,,,,,
100.091.234,300-403-4,93940-11-5,Sodium 4-[[4-[4-nitrophenyl]anilino]azo]benzenesulphonate,sodium 4-[3-(4'-nitrobiphenyl-4-yl)triaz-1-en-1-yl]benzenesulfonate,[Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(NN=Nc2ccc(cc2)S([O-])(=O)=O)cc3,[Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(NN=Nc2ccc(cc2)S([O-])(=O)=O)cc3,"InChI=1/C18H14N4O5S.Na/c23-22(24)17-9-3-14(4-10-17)13-1-5-15(6-2-13)19-21-20-16-7-11-18(12-8-16)28(25,26)27;/h1-12H,(H,19,20)(H,25,26,27);/q;+1/p-1",C18H14N4O5S.Na,,,,,,NKBXUNLLXMGLRN-UHFFFAOYSA-M,,,,,,,,,,,
100.091.235,300-405-5,93940-12-6,"Disodium 4-amino-1-bromo-9,10-dihydro-9,10-dioxoanthracene-3,5-disulphonate","disodium 8-amino-5-bromo-9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonate",[Na+].[Na+].Nc1c2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c2c(Br)cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c2c(Br)cc1S(=O)(=O)[O-],"InChI=1/C14H8BrNO8S2.2Na/c15-6-4-8(26(22,23)24)12(16)11-10(6)13(17)5-2-1-3-7(25(19,20)21)9(5)14(11)18;;/h1-4H,16H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C14H8BrNO8S2.2Na,,,,,,FDBJRLVYJPMZRS-UHFFFAOYSA-L,,,,,,,,,,,
100.087.440,296-228-5,92351-77-4,2-ethoxy-2-oxoethyl butyrate,2-ethoxy-2-oxoethyl butyrate,CCCC(=O)OCC(=O)OCC,CCCC(=O)OCC(=O)OCC,"InChI=1/C8H14O4/c1-3-5-7(9)12-6-8(10)11-4-2/h3-6H2,1-2H3",C8H14O4,,,,,,KNDOPHVKTCRRPG-UHFFFAOYSA-N,,,,,,,,,,,
100.087.441,296-229-0,92368-90-6,2-benzylheptanol,2-benzylheptan-1-ol,CCCCCC(CO)Cc1ccccc1,CCCCCC(CO)Cc1ccccc1,"InChI=1/C14H22O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,14-15H,2-3,5,10-12H2,1H3",C14H22O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18299,https://echa.europa.eu/substance-information/-/substanceinfo/100.087.441,CGMOOAUESLSUKM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.363,301-645-3,94023-48-0,"2-(heptadeca-8,11,14-trienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate","2-heptadeca-8,11,14-trien-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium acetate",OCC[NH+]1CC\\N=C1\\CCCCCCCC=CCC=CCC=CCC.[O-]C(C)=O,OCC[NH+]1CC\N=C1\CCCCCCCC=CCC=CCC=CCC.[O-]C(C)=O,"InChI=1/C22H38N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h3-4,6-7,9-10,25H,2,5,8,11-21H2,1H3;1H3,(H,3,4)",C22H38N2O.C2H4O2,,,,,,ADUCXTOEDQTCOD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.372,301-655-8,94023-57-1,Ammonium N-(2-carboxyethyl)-N-dodecyl-ß-alaninate,ammonium 3-[(2-carboxyethyl)(dodecyl)amino]propanoate,[NH4+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],[NH4+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],"InChI=1/C18H35NO4.H3N/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;/h2-16H2,1H3,(H,20,21)(H,22,23);1H3",C18H35NO4.H3N,,,,,,IHPQJWNGWKLWDT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.333,298-313-2,93803-42-0,"(octahydro-4,7-methano-1H-inden-5-yl)methyl butyrate","octahydro-1H-4,7-methanoinden-5-ylmethyl butyrate",CCCC(=O)OCC1CC2CC1C3CCCC23,CCCC(=O)OCC1CC2CC1C3CCCC23,"InChI=1/C15H24O2/c1-2-4-15(16)17-9-11-7-10-8-14(11)13-6-3-5-12(10)13/h10-14H,2-9H2,1H3",C15H24O2,,,,,,LFVHSFZDXRXNDS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.336,298-316-9,93803-45-3,2-ethylhexyl [(2-butoxy-2-oxoethyl)thio]acetate,"butyl 2-ethylhexyl 2,2'-sulfanediyldiacetate",CCCCOC(=O)CSCC(=O)OCC(CC)CCCC,CCCCOC(=O)CSCC(=O)OCC(CC)CCCC,"InChI=1/C16H30O4S/c1-4-7-9-14(6-3)11-20-16(18)13-21-12-15(17)19-10-8-5-2/h14H,4-13H2,1-3H3",C16H30O4S,,,,,,ICKUQBKYPDFCFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.940,286-864-1,85392-06-9,1-butyl-5-carboxypentyl 6-decenoate,6-(dec-6-enoyloxy)decanoic acid,OC(=O)CCCCC(OC(=O)CCCCC=CCCC)CCCC,OC(=O)CCCCC(OC(=O)CCCCC=CCCC)CCCC,"InChI=1/C20H36O4/c1-3-5-7-8-9-10-11-17-20(23)24-18(14-6-4-2)15-12-13-16-19(21)22/h7-8,18H,3-6,9-17H2,1-2H3,(H,21,22)",C20H36O4,,,,,,BAGORNXZZUTBGV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.957,286-883-5,85392-24-1,[2-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethylammonium chloride,"2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]-N,N,N-trimethylethanaminium chloride",[Cl-].Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C)[N+]([O-])=O,[Cl-].Clc2cc(ccc2N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C)[N+]([O-])=O,"InChI=1/C20H27ClN5O2.ClH/c1-6-24(11-12-26(3,4)5)16-7-9-19(15(2)13-16)22-23-20-10-8-17(25(27)28)14-18(20)21;/h7-10,13-14H,6,11-12H2,1-5H3;1H/q+1;/p-1",C20H27ClN5O2.Cl,,,,,,XSOFBRAWCCIZBB-UHFFFAOYSA-M,,,,,,,,,,,
100.078.958,286-884-0,85392-25-2,(4-chlorophenyl)methyl 4-hydroxybenzoate,4-chlorobenzyl 4-hydroxybenzoate,Oc1ccc(cc1)C(=O)OCc2ccc(Cl)cc2,Oc1ccc(cc1)C(=O)OCc2ccc(Cl)cc2,"InChI=1/C14H11ClO3/c15-12-5-1-10(2-6-12)9-18-14(17)11-3-7-13(16)8-4-11/h1-8,16H,9H2",C14H11ClO3,,,,,,WAOCEEXLEFNWKA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.961,286-887-7,85392-28-5,"2,5-diethyl-3,4-dihydro-2H-pyran-2-methanol","(2,5-diethyl-3,4-dihydro-2H-pyran-2-yl)methanol",CCC1=COC(CC)(CO)CC1,CCC1=COC(CC)(CO)CC1,"InChI=1/C10H18O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h7,11H,3-6,8H2,1-2H3",C10H18O2,,,,,,IHEGBLXFHBDDSW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.962,286-888-2,85392-29-6,"Tetrahydro-2,5-dipropyl-2H-pyran-2-methanol","(2,5-dipropyltetrahydro-2H-pyran-2-yl)methanol",CCCC1CCC(CO)(CCC)OC1,CCCC1CCC(CO)(CCC)OC1,"InChI=1/C12H24O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h11,13H,3-10H2,1-2H3",C12H24O2,,,,,,MQXJAGMQBSLYGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.965,286-891-9,85392-33-2,"4,4'-thiobis[3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol]","4,4'-sulfanediylbis(3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol)",CC1(C)C2CC(SC3CC4C(CC3(C)O)C4(C)C)C(C)(O)CC12,CC1(C)C2CC(SC3CC4C(CC3(C)O)C4(C)C)C(C)(O)CC12,"InChI=1/C20H34O2S/c1-17(2)11-7-15(19(5,21)9-13(11)17)23-16-8-12-14(18(12,3)4)10-20(16,6)22/h11-16,21-22H,7-10H2,1-6H3",C20H34O2S,,,,,,VTOLOYGWYKBTJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.966,286-892-4,85392-34-3,2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)butyraldehyde,2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)butanal,O=CC(=CC2CC1/C=C\\C2C1)CC,O=CC(=CC2CC1/C=C\C2C1)CC,"InChI=1/C12H16O/c1-2-9(8-13)5-12-7-10-3-4-11(12)6-10/h3-5,8,10-12H,2,6-7H2,1H3",C12H16O,,,,,,ITHIOGMYPOYWSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.967,286-894-5,85392-35-4,2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)heptan-1-al,2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)heptanal,O=CC(=CC2CC1/C=C\\C2C1)CCCCC,O=CC(=CC2CC1/C=C\C2C1)CCCCC,"InChI=1/C15H22O/c1-2-3-4-5-13(11-16)10-15-9-12-6-7-14(15)8-12/h6-7,10-12,14-15H,2-5,8-9H2,1H3",C15H22O,,,,,,CKQBHUIFSUWVLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.546,300-747-5,93963-07-6,"Sodium [2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]acetate","sodium [2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]acetate",[Na+].CCCCCCCCCCCCCCCCCC1=NCCN1CCOCC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC1=NCCN1CCOCC(=O)[O-],"InChI=1/C24H46N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23)20-21-29-22-24(27)28;/h2-22H2,1H3,(H,27,28);/q;+1/p-1",C24H46N2O3.Na,,,,,,UXJVKMLQYNRISL-UHFFFAOYSA-M,,,,,,,,,,,
100.091.550,300-751-7,93963-11-2,(Z)-1-(3-hexenyl)cyclohexan-1-ol,1-hex-3-en-1-ylcyclohexanol,CC\\C=C/CCC1(O)CCCCC1,CC\C=C/CCC1(O)CCCCC1,"InChI=1/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h3-4,13H,2,5-11H2,1H3",C12H22O,,,,,,SPUDXAQAHJIHFG-ARJAWSKDSA-N,,,,,,,,,,,
100.091.553,300-754-3,93963-14-5,"1-(2-ethyl-4,4-dimethyl-2-cyclohexen-1-yl)-2-buten-1-one","1-(2-ethyl-4,4-dimethylcyclohex-2-en-1-yl)but-2-en-1-one",O=C(C=CC)C1CCC(C)(C)/C=C1/CC,O=C(C=CC)C1CCC(C)(C)/C=C1/CC,"InChI=1/C14H22O/c1-5-7-13(15)12-8-9-14(3,4)10-11(12)6-2/h5,7,10,12H,6,8-9H2,1-4H3",C14H22O,,,,,,YAGSMBWTDVIGQC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.554,300-755-9,93963-15-6,"Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, monohydrochloride","6,6'-dimethoxy-2,2'-dimethyltubocuraran-7',12'-diol hydrochloride",Cl.COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4,Cl.COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4,"InChI=1/C36H38N2O6.ClH/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32;/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3;1H",C36H38N2O6.ClH,,,,,,DDXVIRJNJOBMBN-DUZWKJOOSA-N,,,,,,,,,,,
100.091.557,300-759-0,93963-18-9,Diethyl N-bromoimidocarbonate,diethyl bromoimidocarbonate,CCOC(=NBr)OCC,CCOC(=NBr)OCC,"InChI=1/C5H10BrNO2/c1-3-8-5(7-6)9-4-2/h3-4H2,1-2H3",C5H10BrNO2,,,,,,HGOBDYHNTJGKHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.560,300-762-7,93963-21-4,Bicyclo[2.2.1]hept-5-en-2-yl isobutyrate,bicyclo[2.2.1]hept-5-en-2-yl 2-methylpropanoate,CC(C)C(=O)OC1CC2CC1C=C2,CC(C)C(=O)OC1CC2CC1C=C2,"InChI=1/C11H16O2/c1-7(2)11(12)13-10-6-8-3-4-9(10)5-8/h3-4,7-10H,5-6H2,1-2H3",C11H16O2,,,,,,UHBUKFKTICTRIO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.355,302-738-1,94133-75-2,Methylammonium 2-(4-chloro-2-methylphenoxy)propionate,methanaminium 2-(4-chloro-2-methylphenoxy)propanoate,C[NH3+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],C[NH3+].CC(Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.CH5N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-2/h3-5,7H,1-2H3,(H,12,13);2H2,1H3",C10H11ClO3.CH5N,,,,,,SVKZQCGVVBFFRE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.358,302-741-8,94133-78-5,Trisundecyl phosphite,triundecyl phosphite,CCCCCCCCCCCOP(OCCCCCCCCCCC)OCCCCCCCCCCC,CCCCCCCCCCCOP(OCCCCCCCCCCC)OCCCCCCCCCCC,"InChI=1/C33H69O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-33H2,1-3H3",C33H69O3P,,,,,,UKPASDNOVTUNJT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.365,302-749-1,94133-85-4,"4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthyl)-1H-imidazolium dihydrogen phosphate","2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium dihydrogen phosphate",[O-]P(=O)([O-])[O-].C1CC(C2=NCC[NH2+]2)c3ccccc3C1,[O-]P(=O)([O-])[O-].C1CC(C2=NCC[NH2+]2)c3ccccc3C1,"InChI=1/C13H16N2.H3O4P/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;1-5(2,3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H3,1,2,3,4)/p-2",C13H16N2.H3O4P,,,,,,HPGQQPUQEIRXHP-UHFFFAOYSA-L,,,,,,,,,,,
100.093.367,302-751-2,94133-87-6,"Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-{4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O,[Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O,"InChI=1/C16H11Cl3N4O4S.Na/c1-8-15(21-20-12-5-3-2-4-9(12)17)16(24)23(22-8)13-6-11(19)14(7-10(13)18)28(25,26)27;/h2-7,15H,1H3,(H,25,26,27);/q;+1/p-1",C16H11Cl3N4O4S.Na,,,,,,JEXQGUHOLFFCFL-UHFFFAOYSA-M,,,,,,,,,,,
100.089.006,297-952-4,93776-25-1,"Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] phosphate","ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C26H9F46O4P.H3N/c27-5(28,9(33,34)13(41,42)17(49,50)21(57,58)19(53,54)15(45,46)11(37,38)7(31,23(61,62)63)24(64,65)66)1-3-75-77(73,74)76-4-2-6(29,30)10(35,36)14(43,44)18(51,52)22(59,60)20(55,56)16(47,48)12(39,40)8(32,25(67,68)69)26(70,71)72;/h1-4H2,(H,73,74);1H3",C26H9F46O4P.H3N,,,,,,XHKCGZYCGBPERC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.011,297-958-7,93776-30-8,"Bis(2-hydroxyethyl)ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] phosphate","2-hydroxy-N-(2-hydroxyethyl)ethanaminium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] phosphate",OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C34H9F62O4P.C4H11NO2/c35-5(36,9(41,42)13(49,50)17(57,58)21(65,66)25(73,74)29(81,82)27(77,78)23(69,70)19(61,62)15(53,54)11(45,46)7(39,31(85,86)87)32(88,89)90)1-3-99-101(97,98)100-4-2-6(37,38)10(43,44)14(51,52)18(59,60)22(67,68)26(75,76)30(83,84)28(79,80)24(71,72)20(63,64)16(55,56)12(47,48)8(40,33(91,92)93)34(94,95)96;6-3-1-5-2-4-7/h1-4H2,(H,97,98);5-7H,1-4H2",C34H9F62O4P.C4H11NO2,,,,,,ZDLDNYXLNRTCDA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.023,297-971-8,93776-42-2,Sodium dibutylnaphthalene-2-sulphonate,"sodium 1,3-dibutylnaphthalene-2-sulfonate",[Na+].CCCCc1cc2ccccc2c(CCCC)c1S(=O)(=O)[O-],[Na+].CCCCc1cc2ccccc2c(CCCC)c1S(=O)(=O)[O-],"InChI=1/C18H24O3S.Na/c1-3-5-9-15-13-14-10-7-8-12-16(14)17(11-6-4-2)18(15)22(19,20)21;/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;+1/p-1",C18H24O3S.Na,,,,,,NIEGNJJAHOXNPJ-UHFFFAOYSA-M,,,,,,,,,,,
100.089.036,297-987-5,93776-57-9,Dichloro[1-[(chloromethyl)phenyl]ethyl]methylsilane,"{1,1-dichloro-2-[2-(chloromethyl)phenyl]propyl}silane",CC(c1ccccc1CCl)C([SiH3])(Cl)Cl,CC(c1ccccc1CCl)C([SiH3])(Cl)Cl,"InChI=1/C10H13Cl3Si/c1-7(10(12,13)14)9-5-3-2-4-8(9)6-11/h2-5,7H,6H2,1,14H3",C10H13Cl3Si,,,,,,SBVIUFSKQZCHFE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.253,299-326-6,93858-91-4,"Nonaammonium heptahydrogen [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate","nonaammonium heptahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.9H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);9*1H3/p-7",C18H52N6O24P8.9H3N,,,,,,HUMKPTHJGGKHJB-UHFFFAOYSA-G,,,,,,,,,,,
100.093.442,302-833-8,94134-63-1,"N-(2-chloro-4,5-dimethoxyphenyl)-3-[p-(hexadecyloxy)phenyl]-3-oxopropionamide","N-(2-chloro-4,5-dimethoxyphenyl)-3-[4-(hexadecyloxy)phenyl]-3-oxopropanamide",CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc2cc(OC)c(OC)cc2Cl,CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc2cc(OC)c(OC)cc2Cl,"InChI=1/C33H48ClNO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-27-20-18-26(19-21-27)30(36)25-33(37)35-29-24-32(39-3)31(38-2)23-28(29)34/h18-21,23-24H,4-17,22,25H2,1-3H3,(H,35,37)",C33H48ClNO5,,,,,,MNDAUHXRSYFGQF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.448,302-840-6,94134-71-1,2-[[[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]amino]carbonyl]benzoic acid,2-[(2-{[2-(stearoylamino)ethyl]amino}ethyl)carbamoyl]benzoic acid,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)c1ccccc1C(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)c1ccccc1C(=O)O,"InChI=1/C30H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(34)32-24-22-31-23-25-33-29(35)26-19-17-18-20-27(26)30(36)37/h17-20,31H,2-16,21-25H2,1H3,(H,32,34)(H,33,35)(H,36,37)",C30H51N3O4,,,,,,NUPDHZKEMXVLFC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.450,302-842-7,94134-73-3,4-oxo-4-[[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]amino]isocrotonic acid,4-oxo-4-[(2-{[2-(stearoylamino)ethyl]amino}ethyl)amino]but-2-enoic acid,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)\\C=C/C(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)\C=C/C(=O)O,"InChI=1/C26H49N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28-22-20-27-21-23-29-25(31)18-19-26(32)33/h18-19,27H,2-17,20-23H2,1H3,(H,28,30)(H,29,31)(H,32,33)",C26H49N3O4,,,,,,XKOTZLQWWQQTLQ-HNENSFHCSA-N,,,,,,,,,,,
100.092.251,301-522-4,94022-27-2,"N-[2-(4,5-dihydro-2-nonadecyl-1H-imidazol-1-yl)ethyl]ethylenediamine","N-[2-(2-nonadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCCCCCCCCCCCCCC1=NCCN1CCNCCN,CCCCCCCCCCCCCCCCCCCC1=NCCN1CCNCCN,"InChI=1/C26H54N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-29-23-25-30(26)24-22-28-21-20-27/h28H,2-25,27H2,1H3",C26H54N4,,,,,,XYKKUHABBPVOLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.255,301-527-1,94022-31-8,2-[3-(4-chlorophenyl)propyl]pyridine,2-[3-(4-chlorophenyl)propyl]pyridine,Clc1ccc(CCCc2ccccn2)cc1,Clc1ccc(CCCc2ccccn2)cc1,"InChI=1/C14H14ClN/c15-13-9-7-12(8-10-13)4-3-6-14-5-1-2-11-16-14/h1-2,5,7-11H,3-4,6H2",C14H14ClN,,,,,,MAHVJLZBFMCXCD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.257,301-529-2,94022-33-0,Oxacycloheptadec-14-en-2-one,oxacycloheptadec-14-en-2-one,O=C1CCCCCCCCCCC\\C=C\\CCO1,O=C1CCCCCCCCCCC\C=C\CCO1,"InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h9,11H,1-8,10,12-15H2",C16H28O2,,,,,,MIWDFVMATOEXIB-PKNBQFBNSA-N,,,,,,,,,,,
100.092.281,301-555-4,94022-58-9,1-(1-cyclohexen-1-yl)-5-ethylbarbituric acid,"1-cyclohex-1-en-1-yl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1C(=O)NC(=O)N(C1=O)C2=CCCCC2,CCC1C(=O)NC(=O)N(C1=O)C2=CCCCC2,"InChI=1/C12H16N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h6,9H,2-5,7H2,1H3,(H,13,15,17)",C12H16N2O3,,,,,,LJCNUGBNIVRARQ-UHFFFAOYSA-N,,,,,,,,,,,
100.087.613,296-418-8,92687-23-5,"1,1'-[furan-2,5-diylbis(methyleneoxy)]dipropan-2-ol","1,1'-[furan-2,5-diylbis(methyleneoxy)]dipropan-2-ol",CC(O)COCc1oc(COCC(C)O)cc1,CC(O)COCc1oc(COCC(C)O)cc1,"InChI=1/C12H20O5/c1-9(13)5-15-7-11-3-4-12(17-11)8-16-6-10(2)14/h3-4,9-10,13-14H,5-8H2,1-2H3",C12H20O5,,,,,,RJNFHXTVHNEURU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.458,302-851-6,94134-81-3,"1,1-bis[2-(carbamoylamino)ethyl]-3-octadecylurea","N,N''-{[(octadecylcarbamoyl)imino]diethane-2,1-diyl}diurea",CCCCCCCCCCCCCCCCCCNC(=O)N(CCNC(=O)N)CCNC(=O)N,CCCCCCCCCCCCCCCCCCNC(=O)N(CCNC(=O)N)CCNC(=O)N,"InChI=1/C25H52N6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25(34)31(21-19-28-23(26)32)22-20-29-24(27)33/h2-22H2,1H3,(H,30,34)(H3,26,28,32)(H3,27,29,33)",C25H52N6O3,,,,,,VVVFBPLCHYHUKF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.460,302-853-7,94134-83-5,11-methyldodecyl laurate,11-methyldodecyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C,CCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C,"InChI=1/C25H50O2/c1-4-5-6-7-8-9-13-16-19-22-25(26)27-23-20-17-14-11-10-12-15-18-21-24(2)3/h24H,4-23H2,1-3H3",C25H50O2,,,,,,YTPNTTUPPCGZPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.461,302-854-2,94134-84-6,Disodium 4-(11-methyldodecyl) 2-sulphonatosuccinate,disodium 4-[(11-methyldodecyl)oxy]-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CC(C)CCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CC(C)CCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C17H32O7S.2Na/c1-14(2)11-9-7-5-3-4-6-8-10-12-24-16(18)13-15(17(19)20)25(21,22)23;;/h14-15H,3-13H2,1-2H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2",C17H32O7S.2Na,,,,,,OIWWNPOXOOCGNM-UHFFFAOYSA-L,,,,,,,,,,,
100.093.469,302-863-1,94134-92-6,"N-[[1-(cyclohex-1-en-1-ylmethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamide","N-{[1-(cyclohex-1-en-1-ylmethyl)pyrrolidin-2-yl]methyl}-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide",CNS(=O)(=O)c1cc2OCCOc2c(c1)C(=O)NCC3CCCN3CC4=CCCCC4,CNS(=O)(=O)c1cc2OCCOc2c(c1)C(=O)NCC3CCCN3CC4=CCCCC4,"InChI=1/C22H31N3O5S/c1-23-31(27,28)18-12-19(21-20(13-18)29-10-11-30-21)22(26)24-14-17-8-5-9-25(17)15-16-6-3-2-4-7-16/h6,12-13,17,23H,2-5,7-11,14-15H2,1H3,(H,24,26)",C22H31N3O5S,,,,,,ZXLRNUMFQGIXKA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.472,302-866-8,94134-96-0,"11ß,17-dihydroxy-21,21-diiodo-6a-methylpregna-1,4-diene-3,20-dione","11,17-dihydroxy-21,21-diiodo-6-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C(I)I)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C(I)I)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C22H28I2O4/c1-11-8-13-14-5-7-22(28,18(27)19(23)24)21(14,3)10-16(26)17(13)20(2)6-4-12(25)9-15(11)20/h4,6,9,11,13-14,16-17,19,26,28H,5,7-8,10H2,1-3H3",C22H28I2O4,,,,,,HXECQENBKBNQCQ-XLECKLAMSA-N,,,,,,,,,,,
100.089.343,298-324-2,93803-53-3,(2-hydroxyethyl)[2-(stearoyloxy)ethyl]ammonium formate,2-hydroxy-N-[2-(stearoyloxy)ethyl]ethanaminium formate,CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]CCO.[O-]C=O,CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]CCO.[O-]C=O,"InChI=1/C22H45NO3.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24;2-1-3/h23-24H,2-21H2,1H3;1H,(H,2,3)",C22H45NO3.CH2O2,,,,,,PWKKDKKLLATCOA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.346,298-327-9,93803-56-6,"2,2'-(2-methylpropylidene)bis[6-(1,1-dimethylethyl)-p-cresol]","2,2'-(2-methylpropane-1,1-diyl)bis(6-tert-butyl-4-methylphenol)",CC(C)C(c1cc(C)cc(c1O)C(C)(C)C)c2cc(C)cc(c2O)C(C)(C)C,CC(C)C(c1cc(C)cc(c1O)C(C)(C)C)c2cc(C)cc(c2O)C(C)(C)C,"InChI=1/C26H38O2/c1-15(2)22(18-11-16(3)13-20(23(18)27)25(5,6)7)19-12-17(4)14-21(24(19)28)26(8,9)10/h11-15,22,27-28H,1-10H3",C26H38O2,,,,,,YRVBJWCQIAOZEB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.348,298-330-5,93803-58-8,"2,2'-methylenebis[6-cyclopentyl-4-isopropylphenol]","2,2'-methylenebis(6-cyclopentyl-4-isopropylphenol)",CC(C)c1cc(Cc2cc(cc(C3CCCC3)c2O)C(C)C)c(O)c(c1)C4CCCC4,CC(C)c1cc(Cc2cc(cc(C3CCCC3)c2O)C(C)C)c(O)c(c1)C4CCCC4,"InChI=1/C29H40O2/c1-18(2)22-13-24(28(30)26(16-22)20-9-5-6-10-20)15-25-14-23(19(3)4)17-27(29(25)31)21-11-7-8-12-21/h13-14,16-21,30-31H,5-12,15H2,1-4H3",C29H40O2,,,,,,LFKIOZVKIKEHNB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.350,298-332-6,93803-60-2,"2,2'-(2-methylpropylidene)bis[6-cyclopentyl-4-isopropylphenol]","2,2'-(2-methylpropane-1,1-diyl)bis(6-cyclopentyl-4-isopropylphenol)",CC(C)C(c1cc(cc(C2CCCC2)c1O)C(C)C)c3cc(cc(C4CCCC4)c3O)C(C)C,CC(C)C(c1cc(cc(C2CCCC2)c1O)C(C)C)c3cc(cc(C4CCCC4)c3O)C(C)C,"InChI=1/C32H46O2/c1-19(2)24-15-26(22-11-7-8-12-22)31(33)28(17-24)30(21(5)6)29-18-25(20(3)4)16-27(32(29)34)23-13-9-10-14-23/h15-23,30,33-34H,7-14H2,1-6H3",C32H46O2,,,,,,GUQPPJSPZYSPPS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.351,298-333-1,93803-61-3,"2,2'-methylenebis[4,6-diisopropylphenol]","2,2'-methylenebis(4,6-diisopropylphenol)",CC(C)c1cc(Cc2cc(cc(C(C)C)c2O)C(C)C)c(O)c(c1)C(C)C,CC(C)c1cc(Cc2cc(cc(C(C)C)c2O)C(C)C)c(O)c(c1)C(C)C,"InChI=1/C25H36O2/c1-14(2)18-9-20(24(26)22(12-18)16(5)6)11-21-10-19(15(3)4)13-23(17(7)8)25(21)27/h9-10,12-17,26-27H,11H2,1-8H3",C25H36O2,,,,,,VEQGPPAIMRVTQA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.355,298-337-3,93803-65-7,"4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene-1,3-diamine","4-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene-1,3-diamine",COCCOCCOCCOc1ccc(N)cc1N,COCCOCCOCCOc1ccc(N)cc1N,"InChI=1/C13H22N2O4/c1-16-4-5-17-6-7-18-8-9-19-13-3-2-11(14)10-12(13)15/h2-3,10H,4-9,14-15H2,1H3",C13H22N2O4,,,,,,GFKFOCUCHMUWIH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.356,298-338-9,93803-66-8,5-[[2-(2-methoxyethoxy)ethyl]amino]-o-cresol,5-{[2-(2-methoxyethoxy)ethyl]amino}-2-methylphenol,COCCOCCNc1ccc(C)c(O)c1,COCCOCCNc1ccc(C)c(O)c1,"InChI=1/C12H19NO3/c1-10-3-4-11(9-12(10)14)13-5-6-16-8-7-15-2/h3-4,9,13-14H,5-8H2,1-2H3",C12H19NO3,,,,,,OCNSJNPDSQVAHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.358,298-341-5,93803-68-0,2-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aminotoluene,"N~1~-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-4-methylbenzene-1,3-diamine",COCCOCCOCCNc1ccc(C)c(N)c1,COCCOCCOCCNc1ccc(C)c(N)c1,"InChI=1/C14H24N2O3/c1-12-3-4-13(11-14(12)15)16-5-6-18-9-10-19-8-7-17-2/h3-4,11,16H,5-10,15H2,1-2H3",C14H24N2O3,,,,,,ZRJJPVNDQXJTLL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.359,298-342-0,93803-69-1,"N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine","N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine",COCCOCCNc1ccc(N)cc1,COCCOCCNc1ccc(N)cc1,"InChI=1/C11H18N2O2/c1-14-8-9-15-7-6-13-11-4-2-10(12)3-5-11/h2-5,13H,6-9,12H2,1H3",C11H18N2O2,,,,,,PTMJZCOPVRHVKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.361,298-344-1,93803-71-5,"N'-[2-(2-methoxyethoxy)ethyl]-2-methylbenzene-1,4-diamine","N~4~-[2-(2-methoxyethoxy)ethyl]-2-methylbenzene-1,4-diamine",COCCOCCNc1ccc(N)c(C)c1,COCCOCCNc1ccc(N)c(C)c1,"InChI=1/C12H20N2O2/c1-10-9-11(3-4-12(10)13)14-5-6-16-8-7-15-2/h3-4,9,14H,5-8,13H2,1-2H3",C12H20N2O2,,,,,,AOLGFPDCWWJUQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.242,300-412-3,93940-19-3,"trans-trans-4,4'-iminodimethylenedi(cyclohexanecarboxylic acid)","4,4'-[iminobis(methylene)]dicyclohexanecarboxylic acid",OC(=O)C1CCC(CNCC2CCC(CC2)C(=O)O)CC1,OC(=O)C1CCC(CNCC2CCC(CC2)C(=O)O)CC1,"InChI=1/C16H27NO4/c18-15(19)13-5-1-11(2-6-13)9-17-10-12-3-7-14(8-4-12)16(20)21/h11-14,17H,1-10H2,(H,18,19)(H,20,21)",C16H27NO4,,,,,,XHPXSMWMAJGYBS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.001,302-348-1,94108-10-8,Disodium 4-[2-(dodecyloxy)ethyl] 2-sulphonatosuccinate,disodium 4-[2-(dodecyloxy)ethoxy]-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H34O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-17(19)15-16(18(20)21)27(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2",C18H34O8S.2Na,,,,,,ZZTKVOKJMCZYBC-UHFFFAOYSA-L,,,,,,,,,,,
100.093.005,302-352-3,94108-14-2,"N-butylbenzene-1,4-diamine","N-butylbenzene-1,4-diamine",CCCCNc1ccc(N)cc1,CCCCNc1ccc(N)cc1,"InChI=1/C10H16N2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,12H,2-3,8,11H2,1H3",C10H16N2,,,,,,PPPNUSFRWJVHQB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.009,302-357-0,94108-18-6,[[2-(hydroxymethyl)-5-furyl]methyl]ammonium hydrogen oxalate,[5-(hydroxymethyl)-2-furyl]methanaminium hydrogen oxalate,[NH3+]Cc1oc(CO)cc1.[O-]C(=O)C(=O)[O-],[NH3+]Cc1oc(CO)cc1.[O-]C(=O)C(=O)[O-],"InChI=1/C6H9NO2.C2H2O4/c7-3-5-1-2-6(4-8)9-5;3-1(4)2(5)6/h1-2,8H,3-4,7H2;(H,3,4)(H,5,6)/p-1",C8H13NO2.C2H2O4,,,,,,QYHSFXHWKWVOFE-UHFFFAOYSA-M,,,,,,,,,,,
100.091.562,300-764-8,93963-23-6,"1-(1,2,3,4,5,6,7,8-octahydro-3,8,8-trimethyl-2-naphthyl)ethan-1-one","1-(3,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone",CC1CC2=C(CC1C(=O)C)C(C)(C)CCC2,CC1CC2=C(CC1C(=O)C)C(C)(C)CCC2,"InChI=1/C15H24O/c1-10-8-12-6-5-7-15(3,4)14(12)9-13(10)11(2)16/h10,13H,5-9H2,1-4H3",C15H24O,,,,,,HAHFBXHNLFSASE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.563,300-765-3,93963-24-7,N-ethyl-p-methoxy-a-methylphenethylamine hydrochloride,N-ethyl-1-(4-methoxyphenyl)propan-2-amine hydrochloride,Cl.CCNC(C)Cc1ccc(OC)cc1,Cl.CCNC(C)Cc1ccc(OC)cc1,"InChI=1/C12H19NO.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H",C12H19NO.ClH,,,,,,KWQLOEWGKCQLPR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.568,300-771-6,93963-29-2,Ethyl 2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate,ethyl 2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate,CCOC(=O)C1(CC2CC1C=C2)c3ccccc3,CCOC(=O)C1(CC2CC1C=C2)c3ccccc3,"InChI=1/C16H18O2/c1-2-18-15(17)16(13-6-4-3-5-7-13)11-12-8-9-14(16)10-12/h3-9,12,14H,2,10-11H2,1H3",C16H18O2,,,,,,OTAUMCQINVLSGE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.438,301-727-9,94031-22-8,Sucrose tetralaurate,"3,4-di-O-dodecanoyl-beta-D-fructofuranosyl 2,3-di-O-dodecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,"InChI=1/C60H110O15/c1-5-9-13-17-21-25-29-33-37-41-50(64)70-55-49(46-62)74-60(47-63,58(55)73-53(67)44-40-36-32-28-24-20-16-12-8-4)75-59-57(72-52(66)43-39-35-31-27-23-19-15-11-7-3)56(54(68)48(45-61)69-59)71-51(65)42-38-34-30-26-22-18-14-10-6-2/h48-49,54-59,61-63,68H,5-47H2,1-4H3",C60H110O15,,,,,,IHSHXVNWRIASAB-XZGAGMAHSA-N,,,,,,,,,,,
100.092.440,301-730-5,94031-24-0,Sucrose heptamyristate,"1,3,4,6-tetra-O-tetradecanoyl-beta-D-fructofuranosyl 2,3,4-tri-O-tetradecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,"InChI=1/C110H204O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-97(112)119-93-96-105(123-100(115)88-81-74-67-60-53-46-39-32-25-18-11-4)108(126-103(118)91-84-77-70-63-56-49-42-35-28-21-14-7)110(127-96,94-120-98(113)86-79-72-65-58-51-44-37-30-23-16-9-2)128-109-107(125-102(117)90-83-76-69-62-55-48-41-34-27-20-13-6)106(124-101(116)89-82-75-68-61-54-47-40-33-26-19-12-5)104(95(92-111)121-109)122-99(114)87-80-73-66-59-52-45-38-31-24-17-10-3/h95-96,104-109,111H,8-94H2,1-7H3",C110H204O18,,,,,,XQJYXYBLMYFQOY-WIKZPNJNSA-N,,,,,,,,,,,
100.092.442,301-732-6,94042-67-8,"Oleic acid, compound with octadecylamine (1:1)",octadec-9-enoic acid - octadecan-1-amine (1:1),CCCCCCCCCCCCCCCCCCN.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C18H39N.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C18H39N.C18H34O2,,,,,,SNYNFOXIGQIWMC-SVMKZPJVSA-N,,,,,,,,,,,
100.092.447,301-737-3,94042-72-5,6-amino-4-hydroxy-5-[[4-[[(4-methyl-2-sulphophenyl)amino]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid,6-amino-4-hydroxy-5-({4-[(4-methyl-2-sulfophenyl)sulfamoyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,OS(=O)(=O)c4cc(C)ccc4NS(=O)(=O)c1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O,OS(=O)(=O)c4cc(C)ccc4NS(=O)(=O)c1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O,"InChI=1/C23H20N4O9S3/c1-13-2-9-19(21(10-13)39(34,35)36)27-37(29,30)16-6-4-15(5-7-16)25-26-23-18(24)8-3-14-11-17(38(31,32)33)12-20(28)22(14)23/h2-12,27-28H,24H2,1H3,(H,31,32,33)(H,34,35,36)",C23H20N4O9S3,,,,,,VRSOZYANKNDKQO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.453,301-744-1,94042-78-1,"5-oxo-L-proline, compound with (E)-2-[3-(1-pyrrolidinyl)-1-(p-tolyl)prop-1-enyl]pyridine (1:1)",5-oxo-L-proline - 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-en-1-yl]pyridine (1:1),Cc1ccc(cc1)\\C(=C/CN2CCCC2)\\c3ccccn3.OC(=O)[C@@H]4CCC(=O)N4,Cc1ccc(cc1)\C(=C/CN2CCCC2)\c3ccccn3.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C19H22N2.C5H7NO3/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;7-4-2-1-3(6-4)5(8)9/h2-3,6-12H,4-5,13-15H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C19H22N2.C5H7NO3,,,,,,WPVOVAIIYRLDTK-PHDZUTJZSA-N,,,,,,,,,,,
100.078.003,285-834-5,85153-52-2,Ethyl 2-chlorohexanoate,ethyl 2-chlorohexanoate,CCCCC(Cl)C(=O)OCC,CCCCC(Cl)C(=O)OCC,"InChI=1/C8H15ClO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3",C8H15ClO2,,,,,,XNHUSSQEMIESJC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.972,286-899-2,85392-40-1,"ß-ethyl-3,3-dimethylbicyclo[2.2.1]heptane-2-butanol","4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethylbutan-1-ol",CCC(CO)CCC1C2CCC(C2)C1(C)C,CCC(CO)CCC1C2CCC(C2)C1(C)C,"InChI=1/C15H28O/c1-4-11(10-16)5-8-14-12-6-7-13(9-12)15(14,2)3/h11-14,16H,4-10H2,1-3H3",C15H28O,,,,,,HGECOPUKOWSQTP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.975,286-902-7,85392-43-4,"3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentane-2,4-dione","3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentane-2,4-dione",CC(=O)C(=CCC1CC=C(C)C1(C)C)C(=O)C,CC(=O)C(=CCC1CC=C(C)C1(C)C)C(=O)C,"InChI=1/C15H22O2/c1-10-6-7-13(15(10,4)5)8-9-14(11(2)16)12(3)17/h6,9,13H,7-8H2,1-5H3",C15H22O2,,,,,,OKUGEEUWTIUDSY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.261,299-335-5,93858-99-2,"7-(1-ethoxyethoxy)-3,7-dimethyloctanal","7-(1-ethoxyethoxy)-3,7-dimethyloctanal",CCOC(C)OC(C)(C)CCCC(C)CC=O,CCOC(C)OC(C)(C)CCCC(C)CC=O,"InChI=1/C14H28O3/c1-6-16-13(3)17-14(4,5)10-7-8-12(2)9-11-15/h11-13H,6-10H2,1-5H3",C14H28O3,,,,,,WFYJZJGLGJDJFM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.265,299-339-7,93859-04-2,"6-dodecyl-1,3-phenylene diisocyanate","1-dodecyl-2,4-diisocyanatobenzene",CCCCCCCCCCCCc1ccc(cc1N=C=O)N=C=O,CCCCCCCCCCCCc1ccc(cc1N=C=O)N=C=O,"InChI=1/C20H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19(21-16-23)15-20(18)22-17-24/h13-15H,2-12H2,1H3",C20H28N2O2,,,,,,GYNTWFAMMSEMNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.494,299-590-2,93893-03-9,"Benzenesulphonic acid, compound with 2-aminoethanol (1:1)",2-aminoethanol benzenesulfonate (salt),NCCO.OS(=O)(=O)c1ccccc1,NCCO.OS(=O)(=O)c1ccccc1,"InChI=1/C6H6O3S.C2H7NO/c7-10(8,9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,7,8,9);4H,1-3H2",C6H6O3S.C2H7NO,,,,,,LYFXTINVXBJRHI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.496,299-592-3,93893-05-1,2-anilinoethyl p-toluenesulphonate,2-anilinoethyl 4-methylbenzenesulfonate,Cc1ccc(cc1)S(=O)(=O)OCCNc2ccccc2,Cc1ccc(cc1)S(=O)(=O)OCCNc2ccccc2,"InChI=1/C15H17NO3S/c1-13-7-9-15(10-8-13)20(17,18)19-12-11-16-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3",C8H11NO.C7H8O3S,,,,,,MUAUNBYVGHLRNE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.039,297-990-1,93776-60-4,"Phosphoric acid, decyl ester, compd. with 2-aminoethanol",decyl dihydrogen phosphate - 2-aminoethanol (1:1),CCCCCCCCCCOP(=O)(O)O.NCCO,CCCCCCCCCCOP(=O)(O)O.NCCO,"InChI=1/C10H23O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;3-1-2-4/h2-10H2,1H3,(H2,11,12,13);4H,1-3H2",-,,,,,,WMINQRJMNXJWPL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.057,298-010-5,93776-83-1,"9-chloro-1H-benz[f]indole-2,3-dione","9-chloro-1H-benzo[f]indole-2,3-dione",Clc1c2NC(=O)C(=O)c2cc3ccccc13,Clc1c2NC(=O)C(=O)c2cc3ccccc13,"InChI=1/C12H6ClNO2/c13-9-7-4-2-1-3-6(7)5-8-10(9)14-12(16)11(8)15/h1-5H,(H,14,15,16)",C12H6ClNO2,,,,,,WVMGTTTWIITCGU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.066,298-019-4,93776-92-2,2-phenylethyl 2-ethylhexanoate,2-phenylethyl 2-ethylhexanoate,CCCCC(CC)C(=O)OCCc1ccccc1,CCCCC(CC)C(=O)OCCc1ccccc1,"InChI=1/C16H24O2/c1-3-5-11-15(4-2)16(17)18-13-12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3",C16H24O2,,,,,,DLUUSIFAGWCEES-UHFFFAOYSA-N,,,,,,,,,,,
100.089.067,298-021-5,93776-93-3,"5-ethyl-2-(2,3,7-trimethylocta-4,6-dienyl)pyridine","5-ethyl-2-(2,3,7-trimethylocta-4,6-dien-1-yl)pyridine",C/C(C)=C\\C=CC(C)C(C)Cc1ccc(cn1)CC,C/C(C)=C\C=CC(C)C(C)Cc1ccc(cn1)CC,"InChI=1/C18H27N/c1-6-17-10-11-18(19-13-17)12-16(5)15(4)9-7-8-14(2)3/h7-11,13,15-16H,6,12H2,1-5H3",C18H27N,,,,,,DJDVIJAODODGPC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.076,298-030-4,93777-03-8,Diethyl(2-hydroxyethyl)ammonium (1S)-2-oxobornane-10-sulphonate,"N,N-diethyl-2-hydroxyethanaminium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",CC[NH+](CC)CCO.CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2,CC[NH+](CC)CCO.CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2,"InChI=1/C10H16O4S.C6H15NO/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-3-7(4-2)5-6-8/h7H,3-6H2,1-2H3,(H,12,13,14);8H,3-6H2,1-2H3",C10H16O4S.C6H15NO,,,,,,LDKMKHPPNJOGRA-DLGLCQKISA-N,,,,,,,,,,,
100.090.269,299-343-9,93859-08-6,"N,N'-bis(1,3-dimethylbutylidene)-2-methylcyclohexane-1,3-diamine","N,N'-bis(1,3-dimethylbutylidene)-2-methylcyclohexane-1,3-diamine",CC(C)CC(C)=NC1CCCC(N=C(C)CC(C)C)C1C,CC(C)CC(C)=NC1CCCC(N=C(C)CC(C)C)C1C,"InChI=1/C19H36N2/c1-13(2)11-15(5)20-18-9-8-10-19(17(18)7)21-16(6)12-14(3)4/h13-14,17-19H,8-12H2,1-7H3",C19H36N2,,,,,,DCXGXYQSQMUIQO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.273,299-348-6,93859-12-2,"2,2-dimethylpentane-1,5-diyl diisocyanate","1,5-diisocyanato-2,2-dimethylpentane",CC(C)(CCCN=C=O)CN=C=O,CC(C)(CCCN=C=O)CN=C=O,"InChI=1/C9H14N2O2/c1-9(2,6-11-8-13)4-3-5-10-7-12/h3-6H2,1-2H3",C9H14N2O2,,,,,,OUJCKESIGPLCRN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.275,299-350-7,93859-14-4,Ammonium 3-chloro-4-hydroxy-5-nitrobenzenesulphonate,ammonium 3-chloro-4-hydroxy-5-nitrobenzenesulfonate,[NH4+].Oc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)[O-],[NH4+].Oc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H4ClNO6S.H3N/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11;/h1-2,9H,(H,12,13,14);1H3",C6H4ClNO6S.H3N,,,,,,QOVCDGJTQKIGPK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.281,299-357-5,93859-20-2,5-ethyl-3-hydroxy-4-methylfuran-2(3H)-one,5-ethyl-3-hydroxy-4-methylfuran-2(3H)-one,CCC1=C(C)C(O)C(=O)O1,CCC1=C(C)C(O)C(=O)O1,"InChI=1/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h6,8H,3H2,1-2H3",C7H10O3,,,,,,ZZWOFATXVNKRIR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.287,299-363-8,93859-26-8,"2,2'-[[3-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]phenyl]imino]diethyl diacetate","({3-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate",Clc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CCOC(C)=O)CCOC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C22H23ClN6O9/c1-13(30)24-20-11-16(27(6-8-37-14(2)31)7-9-38-15(3)32)4-5-19(20)25-26-22-18(23)10-17(28(33)34)12-21(22)29(35)36/h4-5,10-12H,6-9H2,1-3H3,(H,24,30)",C22H23ClN6O9,,,,,,HJYJHKFBUCRMQT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.012,302-360-7,94108-21-1,Benzyl(2-hydroxyethyl)methyl[3-[(1-oxooctadec-9-enyl)amino]propyl]ammonium chloride,N-benzyl-N-(2-hydroxyethyl)-N-methyl-3-(oleoylamino)propan-1-aminium chloride,[Cl-].C[N+](Cc1ccccc1)(CCCNC(=O)CCCCCCCC=CCCCCCCCC)CCO,[Cl-].C[N+](Cc1ccccc1)(CCCNC(=O)CCCCCCCC=CCCCCCCCC)CCO,"InChI=1/C31H54N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31(35)32-25-21-26-33(2,27-28-34)29-30-22-18-17-19-23-30;/h10-11,17-19,22-23,34H,3-9,12-16,20-21,24-29H2,1-2H3;1H",C31H55N2O2.Cl,,,,,,RUKUQFXEZUPOEE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.015,302-363-3,94108-24-4,"3-hydroxy-2,2-bis(hydroxymethyl)propyl nonan-1-oate","3-hydroxy-2,2-bis(hydroxymethyl)propyl nonanoate",CCCCCCCCC(=O)OCC(CO)(CO)CO,CCCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C14H28O5/c1-2-3-4-5-6-7-8-13(18)19-12-14(9-15,10-16)11-17/h15-17H,2-12H2,1H3",C14H28O5,,,,,,URGQBRTWLCYCMR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.016,302-364-9,94108-25-5,"2,2-bis(hydroxymethyl)propane-1,3-diyl dibutyrate","2,2-bis(hydroxymethyl)propane-1,3-diyl dibutanoate",CCCC(=O)OCC(CO)(CO)COC(=O)CCC,CCCC(=O)OCC(CO)(CO)COC(=O)CCC,"InChI=1/C13H24O6/c1-3-5-11(16)18-9-13(7-14,8-15)10-19-12(17)6-4-2/h14-15H,3-10H2,1-2H3",C13H24O6,,,,,,WVKOWOFPELTOBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.017,302-365-4,94108-26-6,2-(2-hydroxypropoxy)-1-methylethyl laurate,2-(2-hydroxypropoxy)-1-methylethyl laurate,CCCCCCCCCCCC(=O)OC(C)COCC(C)O,CCCCCCCCCCCC(=O)OC(C)COCC(C)O,"InChI=1/C18H36O4/c1-4-5-6-7-8-9-10-11-12-13-18(20)22-17(3)15-21-14-16(2)19/h16-17,19H,4-15H2,1-3H3",C18H36O4,,,,,,SPKKNBYAYDORNI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.018,302-367-5,94108-27-7,Oxydipropylene dilaurate,oxydipropylene dilaurate,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].C\\C=C\\O\\C=C\\C,CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].C\C=C\O\C=C\C,"InChI=1/2C12H24O2.C6H10O/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-6-4-2/h2*2-11H2,1H3,(H,13,14);3-6H,1-2H3/p-2",C30H58O5,,,,,,BYXSGOBFNHDZCV-VNSFXZCVSA-L,,,,,,,,,,,
100.093.023,302-372-2,94108-33-5,9-decenyl benzoate,dec-9-en-1-yl benzoate,C=CCCCCCCCCOC(=O)c1ccccc1,C=CCCCCCCCCOC(=O)c1ccccc1,"InChI=1/C17H24O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2",C17H24O2,,,,,,KTKUVSSAEZNITC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.027,302-376-4,94108-37-9,1-decyl-5-oxopyrrolidine-3-carboxylic acid,1-decyl-5-oxopyrrolidine-3-carboxylic acid,CCCCCCCCCCN1CC(CC1=O)C(=O)O,CCCCCCCCCCN1CC(CC1=O)C(=O)O,"InChI=1/C15H27NO3/c1-2-3-4-5-6-7-8-9-10-16-12-13(15(18)19)11-14(16)17/h13H,2-12H2,1H3,(H,18,19)",C15H27NO3,,,,,,GABHSCSSTHISHK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.128,298-088-0,93777-56-1,"2,4-dihydroxybenzylammonium methanesulphonate","(2,4-dihydroxyphenyl)methanaminium methanesulfonate",CS(=O)(=O)[O-].[NH3+]Cc1ccc(O)cc1O,CS(=O)(=O)[O-].[NH3+]Cc1ccc(O)cc1O,"InChI=1/C7H9NO2.CH4O3S/c8-4-5-1-2-6(9)3-7(5)10;1-5(2,3)4/h1-3,9-10H,4,8H2;1H3,(H,2,3,4)",C7H9NO2.CH4O3S,,,,,,ZCDHBCPBEWMUIY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.134,298-094-3,93777-62-9,"N-[2-(diethylamino)ethyl]-4-nitro-a-[(2,4,5-trimethoxyphenyl)methylene]phenylacetamide monohydrochloride","N-[2-(diethylamino)ethyl]-2-(4-nitrophenyl)-3-(2,4,5-trimethoxyphenyl)acrylamide hydrochloride",Cl.COc1cc(OC)c(cc1OC)C=C(c2ccc(cc2)[N+]([O-])=O)C(=O)NCCN(CC)CC,Cl.COc1cc(OC)c(cc1OC)C=C(c2ccc(cc2)[N+]([O-])=O)C(=O)NCCN(CC)CC,"InChI=1/C24H31N3O6.ClH/c1-6-26(7-2)13-12-25-24(28)20(17-8-10-19(11-9-17)27(29)30)14-18-15-22(32-4)23(33-5)16-21(18)31-3;/h8-11,14-16H,6-7,12-13H2,1-5H3,(H,25,28);1H",C24H31N3O6.ClH,,,,,,XUPBHZSNESEJTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.370,298-354-6,93803-80-6,"5-oxo-L-proline, compound with 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropylamine (1:1)","5-oxo-L-proline - 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine (1:1)",CN(C)CCC=C1c2ccccc2CCc3ccccc13.OC(=O)[C@@H]4CCC(=O)N4,CN(C)CCC=C1c2ccccc2CCc3ccccc13.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C20H23N.C5H7NO3/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;7-4-2-1-3(6-4)5(8)9/h3-6,8-12H,7,13-15H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C20H23N.C5H7NO3,,,,,,DBCOQYSIALQLEK-HVDRVSQOSA-N,,,,,,,,,,,
100.091.006,300-153-6,93923-64-9,"3-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium hydroxide","3-({4-[benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium hydroxide",[OH-].CN(Cc1ccccc1)c2ccc(cc2)N=N\\C3=N\\[NH+](C)CN3C,[OH-].CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C,"InChI=1/C18H22N6.H2O/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;/h4-12H,13-14H2,1-3H3;1H2",C18H21N6.HO,,,,,,MUKXFODQGIRGDG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.018,300-166-7,93923-77-4,"5,6-dihydrofluoranthen-6a(4H)-yl hydroperoxide","5,6-dihydrofluoranthen-6a(4H)-yl hydroperoxide",OOC12CCCc3cccc(c4ccccc14)c23,OOC12CCCc3cccc(c4ccccc14)c23,"InChI=1/C16H14O2/c17-18-16-10-4-6-11-5-3-8-13(15(11)16)12-7-1-2-9-14(12)16/h1-3,5,7-9,17H,4,6,10H2",C16H14O2,,,,,,IXCBSNLRMVSFJK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.020,300-168-8,93923-79-6,"2-(1,1-dimethyl-2-phenylethyl)-5,5-dimethyl-1,3-dioxane","2-(1,1-dimethyl-2-phenylethyl)-5,5-dimethyl-1,3-dioxane",CC(C)(Cc1ccccc1)C2OCC(C)(C)CO2,CC(C)(Cc1ccccc1)C2OCC(C)(C)CO2,"InChI=1/C16H24O2/c1-15(2)11-17-14(18-12-15)16(3,4)10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3",C16H24O2,,,,,,XWTCEZISKNEYKD-UHFFFAOYSA-N,,,,,,,,,,,
100.078.979,286-906-9,85392-47-8,Methyl 2-acetyl-4-oxovalerate,methyl 2-acetyl-4-oxopentanoate,COC(=O)C(CC(=O)C)C(=O)C,COC(=O)C(CC(=O)C)C(=O)C,"InChI=1/C8H12O4/c1-5(9)4-7(6(2)10)8(11)12-3/h7H,4H2,1-3H3",C8H12O4,,,,,,NXEIASUEVWZIDO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.981,286-909-5,85392-49-0,"Ethyl 2-acetylpent-4-enoate, sodium salt",-,[Na+].CCOC(=O)C(CC=C)C(=O)C,[Na+].CCOC(=O)C(CC=C)C(=O)C,"InChI=1/C9H14O3.Na/c1-4-6-8(7(3)10)9(11)12-5-2;/h4,8H,1,5-6H2,2-3H3;/q;+1",C9H13O3.Na,,,,,,NRURORDZYVZIJT-UHFFFAOYSA-N,,,,,,,,,,,
100.078.983,286-911-6,85392-51-4,"Isopropyl 2,4-dioxovalerate, monosodium salt",-,[Na+].CC(C)OC(=O)C(=O)CC(=O)C,[Na+].CC(C)OC(=O)C(=O)CC(=O)C,"InChI=1/C8H12O4.Na/c1-5(2)12-8(11)7(10)4-6(3)9;/h5H,4H2,1-3H3;/q;+1",C8H11O4.Na,,,,,,XMASGRPAHLVNCU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.986,286-914-2,85392-54-7,2-aminoethyl acetoacetate,2-aminoethyl 3-oxobutanoate,CC(=O)CC(=O)OCCN,CC(=O)CC(=O)OCCN,"InChI=1/C6H11NO3/c1-5(8)4-6(9)10-3-2-7/h2-4,7H2,1H3",C6H11NO3,,,,,,NIIUJQKKZSKFSS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.997,286-926-8,85392-67-2,1-ethyl-3-[(2-hydroxynaphthyl)azo]pyridinium tetrachlorozincate (2:1),bis{1-ethyl-3-[(2-hydroxy-1-naphthyl)diazenyl]pyridinium} tetrachlorozincate(2-),Cl[Zn-2](Cl)(Cl)Cl.Oc3ccc1ccccc1c3N=Nc2ccc[n+](CC)c2.Oc2ccc3ccccc3c2N=Nc1ccc[n+](CC)c1,Cl[Zn-2](Cl)(Cl)Cl.Oc3ccc1ccccc1c3N=Nc2ccc[n+](CC)c2.Oc2ccc3ccccc3c2N=Nc1ccc[n+](CC)c1,"InChI=1/2C17H15N3O.4ClH.Zn/c2*1-2-20-11-5-7-14(12-20)18-19-17-15-8-4-3-6-13(15)9-10-16(17)21;;;;;/h2*3-12H,2H2,1H3;4*1H;/q;;;;;;+2/p-2/r2C17H15N3O.Cl4Zn/c2*1-2-20-11-5-7-14(12-20)18-19-17-15-8-4-3-6-13(15)9-10-16(17)21;1-5(2,3)4/h2*3-12H,2H2,1H3;/q;;-2/p+2",C17H16N3O.1/2Cl4Zn,,,,,,XIMCEPPLNUEVSP-UHFFFAOYSA-L,,,,,,,,,,,
100.079.000,286-929-4,85392-71-8,Bis[3-methyl-2-[[p-(N-methylanilino)phenyl]azo]thiazolium] tetrachlorozincate(2-),"bis[3-methyl-2-({4-[methyl(phenyl)amino]phenyl}diazenyl)-1,3-thiazol-3-ium] tetrachlorozincate(2-)",CN(c1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C.CN(c4ccccc4)c5ccc(cc5)N=Nc6scc[n+]6C.Cl[Zn-2](Cl)(Cl)Cl,CN(c1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C.CN(c4ccccc4)c5ccc(cc5)N=Nc6scc[n+]6C.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C17H17N4S.4ClH.Zn/c2*1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15;;;;;/h2*3-13H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H17N4S.Cl4Zn/c2*1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15;1-5(2,3)4/h2*3-13H,1-2H3;/q2*+1;-2",C17H17N4S.1/2Cl4Zn,,,,,,PIKOKXRYMAIHNI-UHFFFAOYSA-J,,,,,,,,,,,
100.079.001,286-931-5,85392-73-0,"Bis[5-[[4-[[(4-chlorobenzyl)methyl]methylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)","bis{5-[(4-{[2-(4-chlorophenyl)ethyl](methyl)amino}phenyl)diazenyl]-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium} tetrachlorozincate(2-)",CN3/C=N\\[NH+](C)C3N=Nc1ccc(cc1)N(C)CCc2ccc(Cl)cc2.Cl[Zn-2](Cl)(Cl)Cl.Clc1ccc(cc1)CCN(C)c2ccc(cc2)N=NC3[NH+](C)\\N=C/N3C,CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)CCc2ccc(Cl)cc2.Cl[Zn-2](Cl)(Cl)Cl.Clc1ccc(cc1)CCN(C)c2ccc(cc2)N=NC3[NH+](C)\N=C/N3C,"InChI=1/2C19H23ClN6.4ClH.Zn/c2*1-24(13-12-15-4-6-16(20)7-5-15)18-10-8-17(9-11-18)22-23-19-25(2)14-21-26(19)3;;;;;/h2*4-11,14,19H,12-13H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C19H23ClN6.Cl4Zn/c2*1-24(13-12-15-4-6-16(20)7-5-15)18-10-8-17(9-11-18)22-23-19-25(2)14-21-26(19)3;1-5(2,3)4/h2*4-11,14,19H,12-13H2,1-3H3;/q;;-2/p+2",C18H20ClN6.1/2Cl4Zn,,,,,,JLDMEHLXNSWZGJ-UHFFFAOYSA-L,,,,,,,,,,,
100.091.580,300-784-7,93963-41-8,(1-methoxy-1-methylethyl)cycloheptane,(1-methoxy-1-methylethyl)cycloheptane,COC(C)(C)C1CCCCCC1,COC(C)(C)C1CCCCCC1,"InChI=1/C11H22O/c1-11(2,12-3)10-8-6-4-5-7-9-10/h10H,4-9H2,1-3H3",C11H22O,,,,,,SGSKWKGPQDARMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.586,300-791-5,93963-47-4,(p-dodecylbenzyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"N-(4-dodecylbenzyl)-2-(methacryloyloxy)-N,N-dimethylethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)CCOC(=O)C(=C)C)cc1,[Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)CCOC(=O)C(=C)C)cc1,"InChI=1/C27H46NO2.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-25-17-19-26(20-18-25)23-28(4,5)21-22-30-27(29)24(2)3;/h17-20H,2,6-16,21-23H2,1,3-5H3;1H/q+1;/p-1",C27H46NO2.Cl,,,,,,ZMTPVMXQYQBZQJ-UHFFFAOYSA-M,,,,,,,,,,,
100.091.587,300-792-0,93963-48-5,1-(hydroxymethyl)undecyl methacrylate,1-(hydroxymethyl)undecyl methacrylate,CCCCCCCCCCC(CO)OC(=O)C(=C)C,CCCCCCCCCCC(CO)OC(=O)C(=C)C,"InChI=1/C16H30O3/c1-4-5-6-7-8-9-10-11-12-15(13-17)19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3",C16H30O3,,,,,,NTUWSTGSKDZEJX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.591,300-796-2,93963-53-2,"5-oxo-L-proline, compound with 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthyl)-1H-imidazole (1:1)","5-oxo-L-proline - 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole (1:1)",OC(=O)[C@@H]1CCC(=O)N1.C2CC(C3=NCCN3)c4ccccc4C2,OC(=O)[C@@H]1CCC(=O)N1.C2CC(C3=NCCN3)c4ccccc4C2,"InChI=1/C13H16N2.C5H7NO3/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;7-4-2-1-3(6-4)5(8)9/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);3H,1-2H2,(H,6,7)(H,8,9)",C13H16N2.C5H7NO3,,,,,,KOUGRVVOGVFXJI-HVDRVSQOSA-N,,,,,,,,,,,
100.091.592,300-797-8,93963-54-3,"5-oxo-L-proline, compound with (R)-3-hydroxy-a-[(methylamino)methyl]benzyl alcohol (1:1)",5-oxo-L-proline - 3-[1-hydroxy-2-(methylamino)ethyl]phenol (1:1),CNC[C@H](O)c1cccc(O)c1.OC(=O)[C@@H]2CCC(=O)N2,CNC[C@H](O)c1cccc(O)c1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C9H13NO2.C5H7NO3/c1-10-6-9(12)7-3-2-4-8(11)5-7;7-4-2-1-3(6-4)5(8)9/h2-5,9-12H,6H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C9H13NO2.C5H7NO3,,,,,,NSUXTBXMGMEBDG-SCKZZFMESA-N,,,,,,,,,,,
100.090.289,299-365-9,93859-28-0,N-[2-[(2-cyano-4-nitrophenyl)azo]-5-[(phenylmethyl)amino]phenyl]acetamide,N-{5-(benzylamino)-2-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}acetamide,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1NC(C)=O)NCc2ccccc2)c(C#N)c3,[O-][N+](=O)c3ccc(N=Nc1ccc(cc1NC(C)=O)NCc2ccccc2)c(C#N)c3,"InChI=1/C22H18N6O3/c1-15(29)25-22-12-18(24-14-16-5-3-2-4-6-16)7-9-21(22)27-26-20-10-8-19(28(30)31)11-17(20)13-23/h2-12,24H,14H2,1H3,(H,25,29)",C22H18N6O3,,,,,,IHUXCIGEFFMBFE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.290,299-366-4,93859-29-1,Disodium 4-[1-methyl-2-[(1-oxododecyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-[2-(dodecanoylamino)-1-methylethoxy]-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCC(=O)NCC(C)OC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCC(=O)NCC(C)OC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C19H35NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-17(21)20-14-15(2)28-18(22)13-16(19(23)24)29(25,26)27;;/h15-16H,3-14H2,1-2H3,(H,20,21)(H,23,24)(H,25,26,27);;/q;2*+1/p-2",C19H35NO8S.2Na,,,,,,FQMJJFJMIYPREF-UHFFFAOYSA-L,,,,,,,,,,,
100.090.299,299-376-9,93859-39-3,"4-[(4-amino-3,5-diethylphenyl)methyl]-2-[(4-aminophenyl)methyl]aniline","4-[4-amino-3-(4-aminobenzyl)benzyl]-2,6-diethylaniline",CCc1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc(CC)c1N,CCc1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc(CC)c1N,"InChI=1/C24H29N3/c1-3-19-14-18(15-20(4-2)24(19)27)11-17-7-10-23(26)21(13-17)12-16-5-8-22(25)9-6-16/h5-10,13-15H,3-4,11-12,25-27H2,1-2H3",C24H29N3,,,,,,DHBSKKSIHAPCJU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.301,299-379-5,93859-41-7,4-[(4-amino-m-tolyl)methyl]-2-isopropyl-6-propylaniline,4-(4-amino-3-methylbenzyl)-2-isopropyl-6-propylaniline,CCCc1cc(Cc2ccc(N)c(C)c2)cc(C(C)C)c1N,CCCc1cc(Cc2ccc(N)c(C)c2)cc(C(C)C)c1N,"InChI=1/C20H28N2/c1-5-6-17-11-16(12-18(13(2)3)20(17)22)10-15-7-8-19(21)14(4)9-15/h7-9,11-13H,5-6,10,21-22H2,1-4H3",C20H28N2,,,,,,UUWZLRCYGVPTGG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.302,299-380-0,93859-42-8,"4-[(2-amino-m-tolyl)methyl]-2,6-diisopropylaniline","4-(2-amino-3-methylbenzyl)-2,6-diisopropylaniline",CC(C)c1cc(Cc2cccc(C)c2N)cc(C(C)C)c1N,CC(C)c1cc(Cc2cccc(C)c2N)cc(C(C)C)c1N,"InChI=1/C20H28N2/c1-12(2)17-10-15(11-18(13(3)4)20(17)22)9-16-8-6-7-14(5)19(16)21/h6-8,10-13H,9,21-22H2,1-5H3",C20H28N2,,,,,,MDKBDEDSAWACFL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.304,299-382-1,93859-44-0,4-[(4-amino-3-isopropylphenyl)methyl]-2-[(4-aminophenyl)methyl]aniline,4-[4-amino-3-(4-aminobenzyl)benzyl]-2-isopropylaniline,CC(C)c1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)ccc1N,CC(C)c1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)ccc1N,"InChI=1/C23H27N3/c1-15(2)21-14-18(6-10-23(21)26)11-17-5-9-22(25)19(13-17)12-16-3-7-20(24)8-4-16/h3-10,13-15H,11-12,24-26H2,1-2H3",C23H27N3,,,,,,BANSAJUOKAVMNK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.305,299-383-7,93859-45-1,2-[(4-amino-3-isopropylphenyl)methyl]-4-[(4-aminophenyl)methyl]aniline,4-[2-amino-5-(4-aminobenzyl)benzyl]-2-isopropylaniline,CC(C)c1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)ccc1N,CC(C)c1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)ccc1N,"InChI=1/C23H27N3/c1-15(2)21-14-18(6-10-23(21)26)13-19-12-17(5-9-22(19)25)11-16-3-7-20(24)8-4-16/h3-10,12,14-15H,11,13,24-26H2,1-2H3",C23H27N3,,,,,,WJJZURJLCWMGEO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.307,299-385-8,93859-47-3,"4-[(4-amino-3,5-diisopropylphenyl)methyl]-2-[(4-aminophenyl)methyl]aniline","4-[4-amino-3-(4-aminobenzyl)benzyl]-2,6-diisopropylaniline",CC(C)c1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc(C(C)C)c1N,CC(C)c1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc(C(C)C)c1N,"InChI=1/C26H33N3/c1-16(2)23-14-20(15-24(17(3)4)26(23)29)11-19-7-10-25(28)21(13-19)12-18-5-8-22(27)9-6-18/h5-10,13-17H,11-12,27-29H2,1-4H3",C26H33N3,,,,,,ODLIBBBOKDCNDU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.937,302-277-6,94107-43-4,"4-decene-1,10-diamine","dec-4-ene-1,10-diamine",NCCCCCC=CCCCN,NCCCCCC=CCCCN,"InChI=1/C10H22N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1,3H,2,4-12H2",C10H22N2,,,,,,BFSPDSULNCBNTM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.088,298-044-0,93777-15-2,2-bromo-4-cyano-6-iodophenyl butyrate,2-bromo-4-cyano-6-iodophenyl butyrate,CCCC(=O)Oc1c(Br)cc(cc1I)C#N,CCCC(=O)Oc1c(Br)cc(cc1I)C#N,"InChI=1/C11H9BrINO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3",C11H9BrINO2,,,,,,MKCUIACFRCEKRS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.089,298-045-6,93777-16-3,2-bromo-4-cyano-6-iodophenyl octanoate,2-bromo-4-cyano-6-iodophenyl octanoate,CCCCCCCC(=O)Oc1c(Br)cc(cc1I)C#N,CCCCCCCC(=O)Oc1c(Br)cc(cc1I)C#N,"InChI=1/C15H17BrINO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3",C15H17BrINO2,,,,,,SAZMMKVERXRCHL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.090,298-046-1,93777-17-4,4-cyanophenyl octanoate,4-cyanophenyl octanoate,CCCCCCCC(=O)Oc1ccc(cc1)C#N,CCCCCCCC(=O)Oc1ccc(cc1)C#N,"InChI=1/C15H19NO2/c1-2-3-4-5-6-7-15(17)18-14-10-8-13(12-16)9-11-14/h8-11H,2-7H2,1H3",C15H19NO2,,,,,,XRSCWCVKLXEFJB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.091,298-047-7,93777-18-5,Bis[2-(acetoxy)ethyl]benzyldodecylammonium chloride,"N,N-bis(2-acetoxyethyl)-N-benzyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](CCOC(=O)C)(CCOC(=O)C)Cc1ccccc1,[Cl-].CCCCCCCCCCCC[N+](CCOC(=O)C)(CCOC(=O)C)Cc1ccccc1,"InChI=1/C27H46NO4.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-28(20-22-31-25(2)29,21-23-32-26(3)30)24-27-17-14-13-15-18-27;/h13-15,17-18H,4-12,16,19-24H2,1-3H3;1H/q+1;/p-1",C27H46NO4.Cl,,,,,,XBEANSGDACVEFX-UHFFFAOYSA-M,,,,,,,,,,,
100.093.486,302-882-5,94135-13-4,Tris(m-hydroxyphenyl) phosphate,tris(3-hydroxyphenyl) phosphate,Oc1cccc(OP(=O)(Oc2cccc(O)c2)Oc3cccc(O)c3)c1,Oc1cccc(OP(=O)(Oc2cccc(O)c2)Oc3cccc(O)c3)c1,"InChI=1/C18H15O7P/c19-13-4-1-7-16(10-13)23-26(22,24-17-8-2-5-14(20)11-17)25-18-9-3-6-15(21)12-18/h1-12,19-21H",C18H15O7P,,,,,,GGYSSENSJNGXLU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.293,301-569-0,94022-70-5,"5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(p-tolyl)azo]naphthalene-2,7-disulphonic acid","5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methylphenyl)diazenyl]naphthalene-2,7-disulfonic acid",Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(C)cc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n4,Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(C)cc1)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n4,"InChI=1/C20H14Cl2N6O7S2/c1-9-2-4-11(5-3-9)27-28-16-14(37(33,34)35)7-10-6-12(36(30,31)32)8-13(15(10)17(16)29)23-20-25-18(21)24-19(22)26-20/h2-8,29H,1H3,(H,30,31,32)(H,33,34,35)(H,23,24,25,26)",C20H14Cl2N6O7S2,,,,,,ZZIXZVKSACLTCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.295,301-571-1,94022-72-7,"7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(3-sulphophenyl)azo]naphthalene-2-sulphonic acid","7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid",Clc4nc(Nc2cc3cc(c(N=Nc1cccc(c1)S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Cl)n4,Clc4nc(Nc2cc3cc(c(N=Nc1cccc(c1)S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Cl)n4,"InChI=1/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-10-4-5-13-9(6-10)7-14(36(32,33)34)15(16(13)28)27-26-11-2-1-3-12(8-11)35(29,30)31/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)",C19H12Cl2N6O7S2,,,,,,RZOLUHJNQNGEJW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.297,301-573-2,94022-76-1,"2-dodecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxotetradecyl)amino]ethyl]-1H-imidazolium methyl sulphate","2-dodecyl-1-methyl-1-[2-(tetradecanoylamino)ethyl]-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C32H63N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-32(36)34-28-30-35(3)29-27-33-31(35)25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-30H2,1-3H3;1H3,(H,2,3,4)",C33H66N3O.CH3O4S,,,,,,NQLHZTLABCOJCN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.311,301-588-4,94022-94-3,1-(2-chloroethyl)-2-(trifluoromethyl)benzene,1-(2-chloroethyl)-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1CCCl,FC(F)(F)c1ccccc1CCCl,"InChI=1/C9H8ClF3/c10-6-5-7-3-1-2-4-8(7)9(11,12)13/h1-4H,5-6H2",C9H8ClF3,,,,,,YCNNNSKOYTXTQL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.318,301-596-8,94023-01-5,"2-ethylhexyl dihydrogen phosphate, compound with 2-aminoethanol (1:2)",2-ethylhexyl dihydrogen phosphate - 2-aminoethanol (1:2),O=P(O)(O)OCC(CCCC)CC.NCCO.NCCO,O=P(O)(O)OCC(CCCC)CC.NCCO.NCCO,"InChI=1/C8H19O4P.2C2H7NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;2*3-1-2-4/h8H,3-7H2,1-2H3,(H2,9,10,11);2*4H,1-3H2",C8H19O4P.2C2H7NO,,,,,,YCLGZWVDDYMHDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.323,301-601-3,94023-06-0,"Dodecapotassium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","dodecapotassium [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.12K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;;;;;/q;12*+1/p-12",C12H36N4O18P6.12K,,,,,,WLMRDPQFGGNAMP-UHFFFAOYSA-B,,,,,,,,,,,
100.089.252,298-224-9,93783-18-7,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxy-2-(2-phenoxyethoxy)phenyl]hexanamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-{[(4-cyanophenyl)carbamoyl]amino}-5-hydroxy-2-(2-phenoxyethoxy)phenyl]hexanamide",CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(O)c(NC(=O)Nc3ccc(cc3)C#N)cc2OCCOc4ccccc4,CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(O)c(NC(=O)Nc3ccc(cc3)C#N)cc2OCCOc4ccccc4,"InChI=1/C44H54N4O6/c1-8-11-17-39(54-38-23-20-31(43(4,5)9-2)26-34(38)44(6,7)10-3)41(50)47-36-27-37(49)35(48-42(51)46-32-21-18-30(29-45)19-22-32)28-40(36)53-25-24-52-33-15-13-12-14-16-33/h12-16,18-23,26-28,39,49H,8-11,17,24-25H2,1-7H3,(H,47,50)(H2,46,48,51)",C44H54N4O6,,,,,,LBNAYSTUYDHVSD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.254,298-227-5,93783-20-1,"4,5-dihydro-1,3-bis(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium chloride","1,3-bis(2-hydroxyethyl)-2-pentadecylimidazolidin-1-ium chloride",[Cl-].CCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCO,[Cl-].CCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCO,"InChI=1/C22H46N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-23(18-20-25)16-17-24(22)19-21-26;/h22,25-26H,2-21H2,1H3;1H",C22H45N2O2.Cl,,,,,,GDFNUHCWRHVUNH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.021,300-169-3,93923-80-9,Bicyclo[2.2.1]hept-2-ylmethyl cyclohexanecarboxylate,bicyclo[2.2.1]hept-2-ylmethyl cyclohexanecarboxylate,O=C(OCC1CC2CCC1C2)C3CCCCC3,O=C(OCC1CC2CCC1C2)C3CCCCC3,"InChI=1/C15H24O2/c16-15(12-4-2-1-3-5-12)17-10-14-9-11-6-7-13(14)8-11/h11-14H,1-10H2",C15H24O2,,,,,,RFFAKBCMUWZXNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.032,302-382-7,94108-42-6,Sodium (Z)-1-(octadec-9-enyl)-5-oxopyrrolidine-3-carboxylate,sodium 1-octadec-9-en-1-yl-5-oxopyrrolidine-3-carboxylate,[Na+].CCCCCCCC\\C=C/CCCCCCCCN1CC(CC1=O)C(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCCN1CC(CC1=O)C(=O)[O-],"InChI=1/C23H41NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25;/h9-10,21H,2-8,11-20H2,1H3,(H,26,27);/q;+1/p-1",C23H41NO3.Na,,,,,,HYWZHNDAUMQTKO-KVVVOXFISA-M,,,,,,,,,,,
100.093.042,302-393-7,94108-52-8,"[(2,2,8-trimethyl-4H-1,3-dioxino[4,5-c]pyridin-5-yl)methyl] hydrogen succinate","4-oxo-4-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methoxy]butanoic acid",Cc1ncc(COC(=O)CCC(=O)O)c2COC(C)(C)Oc12,Cc1ncc(COC(=O)CCC(=O)O)c2COC(C)(C)Oc12,"InChI=1/C15H19NO6/c1-9-14-11(8-21-15(2,3)22-14)10(6-16-9)7-20-13(19)5-4-12(17)18/h6H,4-5,7-8H2,1-3H3,(H,17,18)",C15H19NO6,,,,,,QXAWEIDCMROCDU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.044,302-395-8,94108-54-0,1-[[4-(trifluoromethoxy)phenyl]sulphonyl]-4-(trifluoromethyl)benzene,1-(trifluoromethoxy)-4-{[4-(trifluoromethyl)phenyl]sulfonyl}benzene,FC(F)(F)Oc1ccc(cc1)S(=O)(=O)c2ccc(cc2)C(F)(F)F,FC(F)(F)Oc1ccc(cc1)S(=O)(=O)c2ccc(cc2)C(F)(F)F,"InChI=1/C14H8F6O3S/c15-13(16,17)9-1-5-11(6-2-9)24(21,22)12-7-3-10(4-8-12)23-14(18,19)20/h1-8H",C14H8F6O3S,,,,,,CLOVKDBAOCJVED-UHFFFAOYSA-N,,,,,,,,,,,
100.093.046,302-397-9,94108-56-2,p-(trifluoromethoxy)benzenesulphonyl chloride,4-(trifluoromethoxy)benzenesulfonyl chloride,FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Cl,FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Cl,"InChI=1/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H",C7H4ClF3O3S,,,,,,UHCDBMIOLNKDHG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.047,302-398-4,94108-57-3,(4-tert-butyl-o-tolyl)acetaldehyde,(4-tert-butyl-2-methylphenyl)acetaldehyde,Cc1cc(ccc1CC=O)C(C)(C)C,Cc1cc(ccc1CC=O)C(C)(C)C,"InChI=1/C13H18O/c1-10-9-12(13(2,3)4)6-5-11(10)7-8-14/h5-6,8-9H,7H2,1-4H3",C13H18O,,,,,,ACGSLLPQEVTPIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.061,302-415-5,94108-77-7,Ethyl 3-chloro-4-hydroxy-5-methoxybenzoate,ethyl 3-chloro-4-hydroxy-5-methoxybenzoate,CCOC(=O)c1cc(Cl)c(O)c(OC)c1,CCOC(=O)c1cc(Cl)c(O)c(OC)c1,"InChI=1/C10H11ClO4/c1-3-15-10(13)6-4-7(11)9(12)8(5-6)14-2/h4-5,12H,3H2,1-2H3",C10H11ClO4,,,,,,JSMDCMPQIMLIOO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.068,302-422-3,94108-86-8,7-hydroxy-2-oxo-N-phenyl-2H-1-benzopyran-3-carboxamide,7-hydroxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide,Oc1ccc2C=C(C(=O)Nc3ccccc3)C(=O)Oc2c1,Oc1ccc2C=C(C(=O)Nc3ccccc3)C(=O)Oc2c1,"InChI=1/C16H11NO4/c18-12-7-6-10-8-13(16(20)21-14(10)9-12)15(19)17-11-4-2-1-3-5-11/h1-9,18H,(H,17,19)",C16H11NO4,,,,,,BSNFVFFEEGERCW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.070,302-424-4,94108-88-0,"2-heptyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride","2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethanol hydrochloride",Cl.CCCCCCCC1=NCCN1CCO,Cl.CCCCCCCC1=NCCN1CCO,"InChI=1/C12H24N2O.ClH/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15;/h15H,2-11H2,1H3;1H",C12H24N2O.ClH,,,,,,OQHKHHVZNBKCHE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.145,298-107-2,93777-73-2,"1-(2,3-dihydro-6-methoxy-1,1,3,3-tetramethyl-1H-inden-5-yl)ethan-1-one","1-(6-methoxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)ethanone",COc1cc2c(cc1C(=O)C)C(C)(C)CC2(C)C,COc1cc2c(cc1C(=O)C)C(C)(C)CC2(C)C,"InChI=1/C16H22O2/c1-10(17)11-7-12-13(8-14(11)18-6)16(4,5)9-15(12,2)3/h7-8H,9H2,1-6H3",C16H22O2,,,,,,OLJJZAHQTNUMHU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.147,298-109-3,93777-75-4,"Octahydro-1,1,3,3-tetramethyl-1H-inden-5-ol","1,1,3,3-tetramethyloctahydro-1H-inden-5-ol",CC1(C)CC(C)(C)C2CC(O)CCC12,CC1(C)CC(C)(C)C2CC(O)CCC12,"InChI=1/C13H24O/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12/h9-11,14H,5-8H2,1-4H3",C13H24O,,,,,,NVOIGJIAEOZJJI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.150,298-113-5,93777-78-7,"1,1,3-trimethyl-6-(1,1,3,3-tetramethylbutyl)indan-5-ol","1,1,3-trimethyl-6-(1,1,3,3-tetramethylbutyl)indan-5-ol",CC1CC(C)(C)c2cc(c(O)cc12)C(C)(C)CC(C)(C)C,CC1CC(C)(C)c2cc(c(O)cc12)C(C)(C)CC(C)(C)C,"InChI=1/C20H32O/c1-13-11-19(5,6)15-10-16(17(21)9-14(13)15)20(7,8)12-18(2,3)4/h9-10,13,21H,11-12H2,1-8H3",C20H32O,,,,,,VCGAWURZAAIEEA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.151,298-114-0,93777-80-1,"N,N,N-trimethyl-4-[[(methylamino)carbonyl]amino]anilinium methyl sulphate","N,N,N-trimethyl-4-[(methylcarbamoyl)amino]anilinium methyl sulfate",CNC(=O)Nc1ccc(cc1)[N+](C)(C)C.COS(=O)(=O)[O-],CNC(=O)Nc1ccc(cc1)[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1/C11H17N3O.CH4O4S/c1-12-11(15)13-9-5-7-10(8-6-9)14(2,3)4;1-5-6(2,3)4/h5-8H,1-4H3,(H-,12,13,15);1H3,(H,2,3,4)",C11H18N3O.CH3O4S,,,,,,ATLFGTVSHHUATK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.595,300-800-2,93963-57-6,"5-oxo-L-proline, compound with 10-[2-(dimethylamino)ethyl]-5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one (1:1)","5-oxo-L-proline - 10-[2-(dimethylamino)ethyl]-5-methyl-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one (1:1)",CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13.OC(=O)[C@@H]4CCC(=O)N4,CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C18H21N3O.C5H7NO3/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;7-4-2-1-3(6-4)5(8)9/h4-11H,12-13H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C18H21N3O.C5H7NO3,,,,,,MVFNCKFRCAIMNT-HVDRVSQOSA-N,,,,,,,,,,,
100.091.596,300-801-8,93963-58-7,"5-oxo-L-proline, compound with (5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol (1:1)","5-oxo-L-proline - 3-ethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol (1:1)",CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)[C@@H]6CCC(=O)N6,CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)[C@@H]6CCC(=O)N6,"InChI=1/C19H23NO3.C5H7NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18;7-4-2-1-3(6-4)5(8)9/h4-7,12-14,18,21H,3,8-10H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C19H23NO3.C5H7NO3,,,,,,HFLZUGRJAUDEAE-PMWDTKQZSA-N,,,,,,,,,,,
100.091.605,300-811-2,93963-67-8,1-O-(3-amino-2-hydroxypropyl)-D-glucitol hydrochloride,1-O-(3-amino-2-hydroxypropyl)-D-glucitol hydrochloride,Cl.NCC(O)COC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,Cl.NCC(O)COC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C9H21NO7.ClH/c10-1-5(12)3-17-4-7(14)9(16)8(15)6(13)2-11;/h5-9,11-16H,1-4,10H2;1H",C9H21NO7.ClH,,,,,,NRSCURTUGURNPH-RXFLVXJHSA-N,,,,,,,,,,,
100.091.607,300-813-3,93963-69-0,Butyl 3-methyl-3-phenyloxirane-2-carboxylate,butyl 3-methyl-3-phenyloxirane-2-carboxylate,CCCCOC(=O)C1OC1(C)c2ccccc2,CCCCOC(=O)C1OC1(C)c2ccccc2,"InChI=1/C14H18O3/c1-3-4-10-16-13(15)12-14(2,17-12)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3",C14H18O3,,,,,,AWOJEIWMCLENLY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.612,300-819-6,93963-75-8,"22-oxovincaleukoblastine, compound with 5-oxo-L-proline (1:2)",5-oxo-L-proline - 22-oxovincaleukoblastine (2:1),CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OC(=O)[C@@H]%10CCC(=O)N%10.OC(=O)[C@@H]%11CCC(=O)N%11,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OC(=O)[C@@H]%10CCC(=O)N%10.OC(=O)[C@@H]%11CCC(=O)N%11,"InChI=1/C46H56N4O10.2C5H7NO3/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;2*7-4-2-1-3(6-4)5(8)9/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;2*3H,1-2H2,(H,6,7)(H,8,9)",C46H56N4O10.2C5H7NO3,,,,,,WEEKHNMBGCPQOG-SBYAFAOCSA-N,,,,,,,,,,,
100.092.472,301-765-6,94042-97-4,"Oleic acid, compound with 2-(2-aminoethoxy)ethanol (1:1)",octadec-9-enoic acid - 2-(2-aminoethoxy)ethanol (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.NCCOCCO,CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCOCCO,"InChI=1/C18H34O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-1-3-7-4-2-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);6H,1-5H2",C18H34O2.C4H11NO2,,,,,,PNYOBDNDCAGSHY-KVVVOXFISA-N,,,,,,,,,,,
100.092.473,301-766-1,94042-98-5,"Oleic acid, compound with 4-ethylmorpholine (1:1)",octadec-9-enoic acid - 4-ethylmorpholine (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCN1CCOCC1,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCN1CCOCC1,"InChI=1/C18H34O2.C6H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-7-3-5-8-6-4-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-6H2,1H3",C18H34O2.C6H13NO,,,,,,WWGUJZMJZZFOLZ-KVVVOXFISA-N,,,,,,,,,,,
100.092.474,301-767-7,94042-99-6,"Diethylammonium 2-(2,4,5-trichlorophenoxy)propionate","N-ethylethanaminium 2-(2,4,5-trichlorophenoxy)propanoate",CC[NH2+]CC.CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],CC[NH2+]CC.CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H7Cl3O3.C4H11N/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;1-3-5-4-2/h2-4H,1H3,(H,13,14);5H,3-4H2,1-2H3",C9H7Cl3O3.C4H11N,,,,,,PEVCDHZCDOUELN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.477,301-770-3,94043-02-4,"Nonyl 2-(2,4-dichlorophenoxy)propionate","nonyl 2-(2,4-dichlorophenoxy)propanoate",CCCCCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,CCCCCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C18H26Cl2O3/c1-3-4-5-6-7-8-9-12-22-18(21)14(2)23-17-11-10-15(19)13-16(17)20/h10-11,13-14H,3-9,12H2,1-2H3",C18H26Cl2O3,,,,,,ZOFCXNALVXQDEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.479,301-772-4,94043-04-6,Nonyl 2-(4-chloro-2-methylphenoxy)propionate,nonyl 2-(4-chloro-2-methylphenoxy)propanoate,CCCCCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1C,CCCCCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C19H29ClO3/c1-4-5-6-7-8-9-10-13-22-19(21)16(3)23-18-12-11-17(20)14-15(18)2/h11-12,14,16H,4-10,13H2,1-3H3",C19H29ClO3,,,,,,VMZHHUIAVZRZKL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.483,301-777-1,94060-69-2,(nonylphenyl) hydrogen phosphonate,2-nonylphenyl hydrogen phosphonate,CCCCCCCCCc1ccccc1OP(=O)O,CCCCCCCCCc1ccccc1OP(=O)O,"InChI=1/C15H25O3P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)18-19(16)17/h9-10,12-13,19H,2-8,11H2,1H3,(H,16,17)",C15H25O3P,,,,,,DMQDNQAYBUPHBC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.104,298-061-3,93777-31-2,"1,5,6,7,8,8a-hexahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene","3-isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5-hexahydronaphthalene",CC1C=CC=C2CCC(CC12C)C(=C)C,CC1C=CC=C2CCC(CC12C)C(=C)C,"InChI=1/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5-7,12-13H,1,8-10H2,2-4H3",C15H22,,,,,,NJUGTTLPVRLVGH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.110,298-068-1,93777-37-8,"2-methyl-3-(1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)propyl acetate","2-methyl-3-(1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)propyl acetate",CC(COC(=O)C)CC1=CC2CCC1(C)C2(C)C,CC(COC(=O)C)CC1=CC2CCC1(C)C2(C)C,"InChI=1/C16H26O2/c1-11(10-18-12(2)17)8-14-9-13-6-7-16(14,5)15(13,3)4/h9,11,13H,6-8,10H2,1-5H3",C16H26O2,,,,,,OBIBNWKUEMBPDF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.113,298-071-8,93777-40-3,"Decahydro-5-methylspiro[furan-2(3H),5'-[4,7]methano[5H]indene]","5-methyldecahydro-3H-spiro[furan-2,5'-[4,7]methanoindene]",CC1CCC2(CC3CC2C4CCCC34)O1,CC1CCC2(CC3CC2C4CCCC34)O1,"InChI=1/C14H22O/c1-9-5-6-14(15-9)8-10-7-13(14)12-4-2-3-11(10)12/h9-13H,2-8H2,1H3",C14H22O,,,,,,CYMMPGKBOROHLH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.120,298-079-1,93777-47-0,Tetradecyl hydrogen adipate,6-oxo-6-(tetradecyloxy)hexanoic acid,CCCCCCCCCCCCCCOC(=O)CCCCC(=O)O,CCCCCCCCCCCCCCOC(=O)CCCCC(=O)O,"InChI=1/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-20(23)17-14-13-16-19(21)22/h2-18H2,1H3,(H,21,22)",C20H38O4,,,,,,XMYCZOXVMFOCCP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.309,299-387-9,93859-49-5,"2,2'-(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis[4-isocyanato-5-methylbenzenesulphonic] acid","2,2'-(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(4-isocyanato-5-methylbenzenesulfonic acid)",Cc1cc(c(cc1N=C=O)N2C(=O)N(C2=O)c3cc(N=C=O)c(C)cc3S(=O)(=O)O)S(=O)(=O)O,Cc1cc(c(cc1N=C=O)N2C(=O)N(C2=O)c3cc(N=C=O)c(C)cc3S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C18H12N4O10S2/c1-9-3-15(33(27,28)29)13(5-11(9)19-7-23)21-17(25)22(18(21)26)14-6-12(20-8-24)10(2)4-16(14)34(30,31)32/h3-6H,1-2H3,(H,27,28,29)(H,30,31,32)",C18H12N4O10S2,,,,,,AXFOKFZLKJOEEA-UHFFFAOYSA-N,,,,,,,,,,,
100.090.314,299-393-1,93859-54-2,"(Z)-1,1'-(octadec-9-enylimino)dipropan-2-ol","1,1'-(octadec-9-en-1-ylimino)dipropan-2-ol",CCCCCCCC\\C=C/CCCCCCCCN(CC(C)O)CC(C)O,CCCCCCCC\C=C/CCCCCCCCN(CC(C)O)CC(C)O,"InChI=1/C24H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h11-12,23-24,26-27H,4-10,13-22H2,1-3H3",C24H49NO2,,,,,,KXLSRCCPXGKFDN-QXMHVHEDSA-N,,,,,,,,,,,
100.090.316,299-395-2,93859-57-5,2-methoxyethyl (hydroxymethyl)(methoxymethyl)-carbamate,2-methoxyethyl (hydroxymethyl)(methoxymethyl)carbamate,COCCOC(=O)N(CO)COC,COCCOC(=O)N(CO)COC,"InChI=1/C7H15NO5/c1-11-3-4-13-7(10)8(5-9)6-12-2/h9H,3-6H2,1-2H3",C7H15NO5,,,,,,XVBWAFBKCBZQHU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.325,299-405-5,93882-02-1,Calcium bis[2-[2-(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)butylidene]-a-methylpyrrolidine-1-propanesulphonate],"calcium bis(4-{2-[2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)butylidene]pyrrolidin-1-yl}butane-2-sulfonate)",[Ca+2].O=C1C(SC(=S)N1CC)=C(CC)C=C2CCCN2CCC(C)S([O-])(=O)=O.[O-]S(=O)(=O)C(C)CCN2CCCC2=CC(CC)=C1SC(=S)N(CC)C1=O,[Ca+2].O=C1C(SC(=S)N1CC)=C(CC)C=C2CCCN2CCC(C)S([O-])(=O)=O.[O-]S(=O)(=O)C(C)CCN2CCCC2=CC(CC)=C1SC(=S)N(CC)C1=O,"InChI=1/2C17H26N2O4S3.Ca/c2*1-4-13(15-16(20)19(5-2)17(24)25-15)11-14-7-6-9-18(14)10-8-12(3)26(21,22)23;/h2*11-12H,4-10H2,1-3H3,(H,21,22,23);/q;;+2/p-2",C17H26N2O4S3.1/2Ca,,,,,,JTAMCXBRFQNMED-UHFFFAOYSA-L,,,,,,,,,,,
100.090.329,299-409-7,93882-08-7,"Disodium 3-[[5-[(ethylphenylamino)sulphonyl]-2-phenoxyphenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate","disodium 3-({5-[ethyl(phenyl)sulfamoyl]-2-phenoxyphenyl}diazenyl)-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonate",[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3cc(ccc3Oc2ccccc2)S(=O)(=O)N(CC)c4ccccc4)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3cc(ccc3Oc2ccccc2)S(=O)(=O)N(CC)c4ccccc4)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C37H32N4O12S4.2Na/c1-3-41(26-10-6-4-7-11-26)55(45,46)29-18-19-33(53-27-12-8-5-9-13-27)31(22-29)38-39-36-34(57(50,51)52)21-25-20-30(56(47,48)49)23-32(35(25)37(36)42)40-54(43,44)28-16-14-24(2)15-17-28;;/h4-23,40,42H,3H2,1-2H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C37H32N4O12S4.2Na,,,,,,ZZTFJEYVTHVDGA-UHFFFAOYSA-L,,,,,,,,,,,
100.090.330,299-410-2,93882-09-8,"3-[[5-[(ethylphenylamino)sulphonyl]-2-phenoxyphenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid","3-({5-[ethyl(phenyl)sulfamoyl]-2-phenoxyphenyl}diazenyl)-4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}naphthalene-2,7-disulfonic acid",Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3cc(ccc3Oc2ccccc2)S(=O)(=O)N(CC)c4ccccc4)c(O)c56)S(O)(=O)=O)S(O)(=O)=O,Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3cc(ccc3Oc2ccccc2)S(=O)(=O)N(CC)c4ccccc4)c(O)c56)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C37H32N4O12S4/c1-3-41(26-10-6-4-7-11-26)55(45,46)29-18-19-33(53-27-12-8-5-9-13-27)31(22-29)38-39-36-34(57(50,51)52)21-25-20-30(56(47,48)49)23-32(35(25)37(36)42)40-54(43,44)28-16-14-24(2)15-17-28/h4-23,40,42H,3H2,1-2H3,(H,47,48,49)(H,50,51,52)",C37H32N4O12S4,,,,,,KHVBHYXAASRLGG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.335,299-416-5,93882-15-6,"4,5-dihydro-1-methyl-1-[2-[(1-oxohexadecyl)amino]ethyl]-2-(pentadecyl)-1H-imidazolium methyl sulphate","1-methyl-1-[2-(palmitoylamino)ethyl]-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C37H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-38-32-34-40(36,3)35-33-39-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-35H2,1-3H3;1H3,(H,2,3,4)",C37H70N3O.CH3O4S,,,,,,ZWDYOMHYDBEDHD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.255,298-228-0,93783-21-2,"1-ethyl-2-heptadecyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate",1-ethyl-2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CC.CCOS(=O)(=O)[O-],"InChI=1/C24H50N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h24,27H,3-23H2,1-2H3;2H2,1H3,(H,3,4,5)",C24H49N2O.C2H5O4S,,,,,,XZANPOPYDHTIJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.260,298-233-8,93783-31-4,"2-henicosyl-4,5-dihydro-1-(2-hydroxyethyl)-3-methyl-1H-imidazolium methyl sulphate",2-henicosyl-1-(2-hydroxyethyl)-3-methylimidazolidin-1-ium methyl sulfate,CCCCCCCCCCCCCCCCCCCCCC1N(C)CC[NH+]1CCO.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCCCC1N(C)CC[NH+]1CCO.COS(=O)(=O)[O-],"InChI=1/C27H56N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-28(2)23-24-29(27)25-26-30;1-5-6(2,3)4/h27,30H,3-26H2,1-2H3;1H3,(H,2,3,4)",C27H55N2O.CH3O4S,,,,,,IOEAICBWMPXAQD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.273,298-247-4,93783-52-9,"4-(1H,3H,5H-oxazolo[3,4-c]oxazol-7a(7H)-ylmethyl) hydrogen 2-octadec-2-enylsuccinate","2-[2-(1H-[1,3]oxazolo[3,4-c][1,3]oxazol-7a(7H)-ylmethoxy)-2-oxoethyl]icos-4-enoic acid",OC(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OCC12COCN2COC1,OC(=O)C(CC=CCCCCCCCCCCCCCCC)CC(=O)OCC12COCN2COC1,"InChI=1/C28H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27(31)32)19-26(30)35-22-28-20-33-23-29(28)24-34-21-28/h16-17,25H,2-15,18-24H2,1H3,(H,31,32)",C28H49NO6,,,,,,JRAMIYMUAKPWJF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.326,301-605-5,94023-09-3,"Octaammonium tetrahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","octaammonium tetrahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.8H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);8*1H3/p-4",C12H36N4O18P6.8H3N,,,,,,OAEIAAMQXRIICJ-UHFFFAOYSA-J,,,,,,,,,,,
100.092.327,301-606-0,94023-10-6,"Nonaammonium trishydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","nonaammonium trihydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.9H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);9*1H3/p-3",C12H36N4O18P6.9H3N,,,,,,CPQQUNZBEIHWIM-UHFFFAOYSA-K,,,,,,,,,,,
100.092.334,301-613-9,94023-17-3,"Heptasodium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","heptasodium hydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.7Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;/q;7*+1/p-8",C10H28N2O12P4.7Na,,,,,,GNCBVFPCLZAXKX-UHFFFAOYSA-F,,,,,,,,,,,
100.092.338,301-618-6,94023-21-9,"Heptapotassium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","heptapotassium hydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.7K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;/q;7*+1/p-8",C10H28N2O12P4.7K,,,,,,MZEXUDZWBOOGHK-UHFFFAOYSA-F,,,,,,,,,,,
100.092.342,301-622-8,94023-25-3,"1-amino-4-m-anisidino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(3-methoxyphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",COc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c1,COc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c1,"InChI=1/C21H16N2O6S/c1-29-12-6-4-5-11(9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)",C21H16N2O6S,,,,,,UOXSNOOWASRNHS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.344,301-624-9,94023-27-5,1-[(2-ethylhexyl)amino]-4-hydroxyanthraquinone,"1-[(2-ethylhexyl)amino]-4-hydroxy-9,10-anthraquinone",CCCCC(CC)CNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,CCCCC(CC)CNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C22H25NO3/c1-3-5-8-14(4-2)13-23-17-11-12-18(24)20-19(17)21(25)15-9-6-7-10-16(15)22(20)26/h6-7,9-12,14,23-24H,3-5,8,13H2,1-2H3",C22H25NO3,,,,,,MXZJNSQLKYADNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.154,298-117-7,93777-86-7,"Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulphate","N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium methyl sulfate",CN2CCCC2=Nc1ccc(cc1)[N+](C)(C)C.[O-]S(=O)(=O)OC,CN2CCCC2=Nc1ccc(cc1)[N+](C)(C)C.[O-]S(=O)(=O)OC,"InChI=1/C14H22N3.CH4O4S/c1-16-11-5-6-14(16)15-12-7-9-13(10-8-12)17(2,3)4;1-5-6(2,3)4/h7-10H,5-6,11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C14H22N3.CH3O4S,,,,,,XQHPORJVCXVFKO-UHFFFAOYSA-M,,,,,,,,,,,
100.089.162,298-126-6,93777-94-7,3-[tris(decyloxy)silyl]propanethiol,3-[tris(decyloxy)silyl]propane-1-thiol,CCCCCCCCCCO[Si](CCCS)(OCCCCCCCCCC)OCCCCCCCCCC,CCCCCCCCCCO[Si](CCCS)(OCCCCCCCCCC)OCCCCCCCCCC,"InChI=1/C33H70O3SSi/c1-4-7-10-13-16-19-22-25-29-34-38(33-28-32-37,35-30-26-23-20-17-14-11-8-5-2)36-31-27-24-21-18-15-12-9-6-3/h37H,4-33H2,1-3H3",C33H70O3SSi,,,,,,HVRSHMWSWKQNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.164,298-128-7,93777-96-9,"9,10-bis(allyloxy)-4,4,15,15-tetraethoxy-3,8,11,16-tetraoxa-4,15-disilaoctadecane","9,10-bis(allyloxy)-4,4,15,15-tetraethoxy-3,8,11,16-tetraoxa-4,15-disilaoctadecane",CCO[Si](CCCOC(OCC=C)C(OCCC[Si](OCC)(OCC)OCC)OCC=C)(OCC)OCC,CCO[Si](CCCOC(OCC=C)C(OCCC[Si](OCC)(OCC)OCC)OCC=C)(OCC)OCC,"InChI=1/C26H54O10Si2/c1-9-19-27-25(29-21-17-23-37(31-11-3,32-12-4)33-13-5)26(28-20-10-2)30-22-18-24-38(34-14-6,35-15-7)36-16-8/h9-10,25-26H,1-2,11-24H2,3-8H3",C26H54O10Si2,,,,,,KLHROCZYYTYLDS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.173,298-138-1,93778-05-3,2-[(4-amino-3-ethyl-5-methylphenyl)methyl]-4-[(4-aminophenyl)methyl]aniline,4-[2-amino-5-(4-aminobenzyl)benzyl]-2-ethyl-6-methylaniline,CCc1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)cc(C)c1N,CCc1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)cc(C)c1N,"InChI=1/C23H27N3/c1-3-19-13-18(10-15(2)23(19)26)14-20-12-17(6-9-22(20)25)11-16-4-7-21(24)8-5-16/h4-10,12-13H,3,11,14,24-26H2,1-2H3",C23H27N3,,,,,,VLTOJJNAVJHSOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.178,298-143-9,93778-10-0,4-[(2-aminophenyl)methyl]-2-isopropylaniline,4-(2-aminobenzyl)-2-isopropylaniline,CC(C)c1cc(Cc2ccccc2N)ccc1N,CC(C)c1cc(Cc2ccccc2N)ccc1N,"InChI=1/C16H20N2/c1-11(2)14-10-12(7-8-16(14)18)9-13-5-3-4-6-15(13)17/h3-8,10-11H,9,17-18H2,1-2H3",C16H20N2,,,,,,QGUUNOJHENWOKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.034,300-184-5,93923-93-4,"7-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-amine monohydrochloride","7-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-amine hydrochloride",Cl.Cc1cc2C(=Nc3cc(F)ccc3Nc2s1)N,Cl.Cc1cc2C(=Nc3cc(F)ccc3Nc2s1)N,"InChI=1/C12H10FN3S.ClH/c1-6-4-8-11(14)15-10-5-7(13)2-3-9(10)16-12(8)17-6;/h2-5,16H,1H3,(H2,14,15);1H",C12H10FN3S.ClH,,,,,,KZZRAACCTRERLP-UHFFFAOYSA-N,,,,,,,,,,,
100.091.036,300-186-6,93923-95-6,Potassium hydrogen 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate,hydrogen potassium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate,[H+].[K+].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,[H+].[K+].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O,"InChI=1/C18H14N2O6S.K.H2/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;1H/q;2*+1/p-2",C18H14N2O6S.K,,,,,,ROYDBDOJXOPQFH-UHFFFAOYSA-M,,,,,,,,,,,
100.091.051,300-202-1,93924-10-8,"Alkenes, C20-24 a-",docos-1-ene,CCCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14498,https://echa.europa.eu/substance-information/-/substanceinfo/100.091.051,SPURMHFLEKVAAS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.052,300-203-7,93924-11-9,"Alkenes, C24-28 a-",hexacos-1-ene,CCCCCCCCCCCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2021,https://echa.europa.eu/substance-information/-/substanceinfo/100.091.052,OMXANELYEWRDAW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.091,302-448-5,94109-10-1,(Z)-N-cyclohexyl-N-(1-oxo-9-octadecenyl)glycine,N-cyclohexyl-N-oleoylglycine,CCCCCCCC\\C=C/CCCCCCCC(=O)N(CC(=O)O)C1CCCCC1,CCCCCCCC\C=C/CCCCCCCC(=O)N(CC(=O)O)C1CCCCC1,"InChI=1/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(28)27(23-26(29)30)24-20-17-16-18-21-24/h9-10,24H,2-8,11-23H2,1H3,(H,29,30)",C26H47NO3,,,,,,DIZJYGAQZVSKEJ-KTKRTIGZSA-N,,,,,,,,,,,
100.093.092,302-449-0,94109-11-2,2-amino-4-ethylphenol,2-amino-4-ethylphenol,CCc1ccc(O)c(N)c1,CCc1ccc(O)c(N)c1,"InChI=1/C8H11NO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3",C8H11NO,,,,,,LUKYIMOTPSTGQB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.093,302-450-6,94109-12-3,Calcium octadecyl adipate,-,[Ca+2].CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)[O-],"InChI=1/C24H46O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-24(27)21-18-17-20-23(25)26;/h2-22H2,1H3,(H,25,26);/q;+2/p-1",C24H46O4.1/2Ca,,,,,,QVNRJGRAFRYGSL-UHFFFAOYSA-M,,,,,,,,,,,
100.093.094,302-451-1,94109-13-4,3-[a-(hydroxymethyl)benzyl]-2-iminiothiazolidinium sulphate,"3-(2-hydroxy-1-phenylethyl)-2-iminio-1,3-thiazolidin-3-ium sulfate",OCC([NH+]1CCSC1=[NH2+])c2ccccc2.[O-]S(=O)(=O)[O-],OCC([NH+]1CCSC1=[NH2+])c2ccccc2.[O-]S(=O)(=O)[O-],"InChI=1/C11H14N2OS.H2O4S/c12-11-13(6-7-15-11)10(8-14)9-4-2-1-3-5-9;1-5(2,3)4/h1-5,10,12,14H,6-8H2;(H2,1,2,3,4)",C11H14N2OS.H2O4S,,,,,,MEWZKPHDGJFKOA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.097,302-454-8,94109-16-7,[2-(acryloyloxy)ethyl]diethylammonium hydrogen sulphate,"2-(acryloyloxy)-N,N-diethylethanaminium hydrogen sulfate",CC[NH+](CC)CCOC(=O)C=C.[O-]S(=O)(=O)[O-],CC[NH+](CC)CCOC(=O)C=C.[O-]S(=O)(=O)[O-],"InChI=1/C9H17NO2.H2O4S/c1-4-9(11)12-8-7-10(5-2)6-3;1-5(2,3)4/h4H,1,5-8H2,2-3H3;(H2,1,2,3,4)/p-1",C9H17NO2.H2O4S,,,,,,GFGBNJCRJFJRLK-UHFFFAOYSA-M,,,,,,,,,,,
100.092.498,301-793-9,94070-94-7,"2-methyl-4-(octahydro-4,7-dimethyl-1H-inden-5-yl)cyclohexyl acetate","4-(4,7-dimethyloctahydro-1H-inden-5-yl)-2-methylcyclohexyl acetate",CC1CC(CCC1OC(=O)C)C2CC(C)C3CCCC3C2C,CC1CC(CCC1OC(=O)C)C2CC(C)C3CCCC3C2C,"InChI=1/C20H34O2/c1-12-11-19(14(3)18-7-5-6-17(12)18)16-8-9-20(13(2)10-16)22-15(4)21/h12-14,16-20H,5-11H2,1-4H3",C19H30O2,,,,,,RKDRNMSALFFMRS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.005,285-836-6,85153-54-4,"1-(1,1-dimethoxyethoxy)butane","1-(1,1-dimethoxyethoxy)butane",CCCCOC(C)(OC)OC,CCCCOC(C)(OC)OC,"InChI=1/C8H18O3/c1-5-6-7-11-8(2,9-3)10-4/h5-7H2,1-4H3",C8H18O3,,,,,,JEQCQCCFONGTMM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.009,285-840-8,85153-58-8,"N-(2,2-dimethoxyethyl)anilinium chloride","N-(2,2-dimethoxyethyl)anilinium chloride",[Cl-].COC(C[NH2+]c1ccccc1)OC,[Cl-].COC(C[NH2+]c1ccccc1)OC,"InChI=1/C10H15NO2.ClH/c1-12-10(13-2)8-11-9-6-4-3-5-7-9;/h3-7,10-11H,8H2,1-2H3;1H",C10H15NO2.ClH,,,,,,MKFGSELWXZSMGK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.014,285-846-0,85153-63-5,"Methyl 2,2-diethylacetoacetate","methyl 2,2-diethyl-3-oxobutanoate",CCC(CC)(C(=O)C)C(=O)OC,CCC(CC)(C(=O)C)C(=O)OC,"InChI=1/C9H16O3/c1-5-9(6-2,7(3)10)8(11)12-4/h5-6H2,1-4H3",C9H16O3,,,,,,VNGQLWJNJCZRQU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.019,285-851-8,85153-68-0,"Methyl 2,2,4-trichloro-3-oxobutyrate","methyl 2,2,4-trichloro-3-oxobutanoate",COC(=O)C(Cl)(Cl)C(=O)CCl,COC(=O)C(Cl)(Cl)C(=O)CCl,"InChI=1/C5H5Cl3O3/c1-11-4(10)5(7,8)3(9)2-6/h2H2,1H3",C5H5Cl3O3,,,,,,IQTNMFRCFNHMHF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.026,285-859-1,85153-75-9,"5-oxo-L-proline, compound with L-threonine (1:1)",5-oxo-L-proline - L-threonine (1:1),CC(O)[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,CC(O)[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C4H9NO3/c7-4-2-1-3(6-4)5(8)9;1-2(6)3(5)4(7)8/h3H,1-2H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8)",C5H7NO3.C4H9NO3,,,,,,DJKGCEGBSKHVHU-CFTANFMLSA-N,,,,,,,,,,,
100.078.036,285-870-1,85153-85-1,"5-oxo-L-proline, compound with pyridine-3-carboxamide (1:1)",5-oxo-L-proline - nicotinamide (1:1),NC(=O)c1cccnc1.OC(=O)[C@@H]2CCC(=O)N2,NC(=O)c1cccnc1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C6H6N2O.C5H7NO3/c7-6(9)5-2-1-3-8-4-5;7-4-2-1-3(6-4)5(8)9/h1-4H,(H2,7,9);3H,1-2H2,(H,6,7)(H,8,9)",C6H6N2O.C5H7NO3,,,,,,TVFPTMXWRJNBSZ-HVDRVSQOSA-N,,,,,,,,,,,
100.078.038,285-872-2,85153-87-3,"L-glutamic acid, compound with 5-oxo-DL-proline (1:1)",5-oxo-L-proline - L-glutamic acid (1:1),N[C@@H](CCC(=O)O)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,N[C@@H](CCC(=O)O)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H9NO4.C5H7NO3/c6-3(5(9)10)1-2-4(7)8;7-4-2-1-3(6-4)5(8)9/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C5H9NO4.C5H7NO3,,,,,,PVBDIBIXFBNAET-RUCXOUQFSA-N,,,,,,,,,,,
100.078.039,285-873-8,85153-88-4,"tert-butyl 1,1,3,3-tetramethylbutyl peroxide","tert-butyl 1,1,3,3-tetramethylbutyl peroxide",CC(C)(C)CC(C)(C)OOC(C)(C)C,CC(C)(C)CC(C)(C)OOC(C)(C)C,"InChI=1/C12H26O2/c1-10(2,3)9-12(7,8)14-13-11(4,5)6/h9H2,1-8H3",C12H26O2,,,,,,POHYRDMTJGJYHH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.130,302-490-4,94109-49-6,Ethyl 3-(p-ethylphenyl)oxirane-2-carboxylate,ethyl 3-(4-ethylphenyl)oxirane-2-carboxylate,CCOC(=O)C1OC1c2ccc(CC)cc2,CCOC(=O)C1OC1c2ccc(CC)cc2,"InChI=1/C13H16O3/c1-3-9-5-7-10(8-6-9)11-12(16-11)13(14)15-4-2/h5-8,11-12H,3-4H2,1-2H3",C13H16O3,,,,,,PJNXXWPQNHTLAO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.135,302-496-7,94109-54-3,3-(docosylamino)propiononitrile,3-(docosylamino)propanenitrile,CCCCCCCCCCCCCCCCCCCCCCNCCC#N,CCCCCCCCCCCCCCCCCCCCCCNCCC#N,"InChI=1/C25H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25-22-23-26/h27H,2-22,24-25H2,1H3",C25H50N2,,,,,,LHWCMSVFDYDFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.138,302-499-3,94109-57-6,5-aminotoluene-2-sulphonamide,4-amino-2-methylbenzenesulfonamide,Cc1cc(N)ccc1S(=O)(=O)N,Cc1cc(N)ccc1S(=O)(=O)N,"InChI=1/C7H10N2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)",C7H10N2O2S,,,,,,PPGSUPFDLFLUAL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.141,302-502-8,94109-62-3,"Bis[benzyl-tert-butyl[2-(3,5-dihydroxyphenyl)-2-oxoethyl]ammonium] sulphate","bis{N-benzyl-N-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]-2-methylpropan-2-aminium} sulfate",CC(C)(C)[NH+](CC(=O)c1cc(O)cc(O)c1)Cc2ccccc2.CC(C)(C)[NH+](CC(=O)c3cc(O)cc(O)c3)Cc4ccccc4.[O-]S(=O)(=O)[O-],CC(C)(C)[NH+](CC(=O)c1cc(O)cc(O)c1)Cc2ccccc2.CC(C)(C)[NH+](CC(=O)c3cc(O)cc(O)c3)Cc4ccccc4.[O-]S(=O)(=O)[O-],"InChI=1/2C19H23NO3.H2O4S/c2*1-19(2,3)20(12-14-7-5-4-6-8-14)13-18(23)15-9-16(21)11-17(22)10-15;1-5(2,3)4/h2*4-11,21-22H,12-13H2,1-3H3;(H2,1,2,3,4)",C19H23NO3.1/2H2O4S,,,,,,ONKMOYRCSWGGBN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.142,302-503-3,94109-63-4,"4-chloro-a-(2-chloroethyl)-ß,ß-dimethoxyphenethyl alcohol","4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol",COC(OC)(C(O)CCCl)c1ccc(Cl)cc1,COC(OC)(C(O)CCCl)c1ccc(Cl)cc1,"InChI=1/C12H16Cl2O3/c1-16-12(17-2,11(15)7-8-13)9-3-5-10(14)6-4-9/h3-6,11,15H,7-8H2,1-2H3",C12H16Cl2O3,,,,,,SOYDQPROSDZXGA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.155,302-518-5,94109-78-1,"3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]thioxanthene]-3-one","3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-thioxanthen]-3-one",Oc1ccc2c(Sc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,Oc1ccc2c(Sc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,"InChI=1/C20H12O4S/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)24-20/h1-10,21-22H",C20H12O4S,,,,,,PTTMNOGNUQNMFO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.336,299-417-0,93882-18-9,"[trimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] methyl sulphate","N,N,N-trimethyl-3-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)propan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)C)C1=O.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)C)C1=O.COS(=O)(=O)[O-],"InChI=1/C28H55N2O2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-25-27(31)29(28(26)32)23-21-24-30(2,3)4;1-5-6(2,3)4/h26H,5-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C28H53N2O2.CH3O4S,,,,,,FMGRHIWJCNVYPS-UHFFFAOYSA-M,,,,,,,,,,,
100.090.343,299-424-9,93882-27-0,"Undecenoic acid, compound with 2-aminoethanol (1:1)",undec-2-enoic acid - 2-aminoethanol (1:1),OC(=O)C=CCCCCCCCC.NCCO,OC(=O)C=CCCCCCCCC.NCCO,"InChI=1/C11H20O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;3-1-2-4/h9-10H,2-8H2,1H3,(H,12,13);4H,1-3H2",C11H20O2.C2H7NO,,,,,,AAEOLAIMTWFREY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.725,276-721-1,72578-59-7,"Stearic acid, compound with 1,3,5-triazine-2,4,6-triamine","octadecanoic acid - 1,3,5-triazine-2,4,6-triamine (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.Nc1nc(N)nc(N)n1,CCCCCCCCCCCCCCCCCC(=O)O.Nc1nc(N)nc(N)n1,"InChI=1/C18H36O2.C3H6N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-7-2(5)9-3(6)8-1/h2-17H2,1H3,(H,19,20);(H6,4,5,6,7,8,9)",C18H36O2.xC3H6N6,,,,,,GOCPTMPZDPBBSV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.732,276-729-5,72596-22-6,1-methyl-4-(1-methylethylidene)cyclohexyl propionate,4-isopropylidene-1-methylcyclohexyl propionate,CCC(=O)OC1(C)CCC(=C(C)C)CC1,CCC(=O)OC1(C)CCC(=C(C)C)CC1,"InChI=1/C13H22O2/c1-5-12(14)15-13(4)8-6-11(7-9-13)10(2)3/h5-9H2,1-4H3",C13H22O2,,,,,,AAGPAPGSTAMBHM-UHFFFAOYSA-N,,,,,,,,,,,
100.069.748,276-746-8,72637-22-0,2-methyl-1-(2-naphthyl)-3-piperidinopropan-1-one hydrochloride,2-methyl-1-(2-naphthyl)-3-piperidin-1-ylpropan-1-one hydrochloride,Cl.CC(CN1CCCCC1)C(=O)c2ccc3ccccc3c2,Cl.CC(CN1CCCCC1)C(=O)c2ccc3ccccc3c2,"InChI=1/C19H23NO.ClH/c1-15(14-20-11-5-2-6-12-20)19(21)18-10-9-16-7-3-4-8-17(16)13-18;/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3;1H",C19H23NO.ClH,,,,,,UFGYYQGRGRHAJE-UHFFFAOYSA-N,,,,,,,,,,,
100.062.084,268-312-1,68052-19-7,1-(2-ethoxy-4-nitrophenyl)pyrrolidine,1-(2-ethoxy-4-nitrophenyl)pyrrolidine,CCOc1cc(ccc1N2CCCC2)[N+](=O)[O-],CCOc1cc(ccc1N2CCCC2)[N+](=O)[O-],"InChI=1/C12H16N2O3/c1-2-17-12-9-10(14(15)16)5-6-11(12)13-7-3-4-8-13/h5-6,9H,2-4,7-8H2,1H3",C12H16N2O3,,,,,,KJWAQCRRFKAAIW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.085,268-313-7,68052-20-0,"Ethyl (3,4-dimethoxyphenyl)iminoacetate hydrochloride","ethyl (3,4-dimethoxyphenyl)(imino)acetate hydrochloride",Cl.CCOC(=O)C(=N)c1ccc(OC)c(OC)c1,Cl.CCOC(=O)C(=N)c1ccc(OC)c(OC)c1,"InChI=1/C12H15NO4.ClH/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3;/h5-7,13H,4H2,1-3H3;1H",C12H15NO4.ClH,,,,,,WRYHGHYANGDBOG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.088,268-316-3,68052-23-3,"2,2,4-trimethylpentane-1,3-diyl dibenzoate","2,2,4-trimethylpentane-1,3-diyl dibenzoate",CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c2ccccc2,CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c2ccccc2,"InChI=1/C22H26O4/c1-16(2)19(26-21(24)18-13-9-6-10-14-18)22(3,4)15-25-20(23)17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3",C22H26O4,,,,,,FTSXVYQZLNPTCM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.090,268-318-4,68052-36-8,"Benzoic acid, compound with 2-(diethylamino)ethanol (1:1)",2-(diethylamino)ethanol benzoate (salt),CCN(CC)CCO.OC(=O)c1ccccc1,CCN(CC)CCO.OC(=O)c1ccccc1,"InChI=1/C7H6O2.C6H15NO/c8-7(9)6-4-2-1-3-5-6;1-3-7(4-2)5-6-8/h1-5H,(H,8,9);8H,3-6H2,1-2H3",C7H6O2.C6H15NO,,,,,,HJCAIQANKIFKSW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.096,268-325-2,68052-46-0,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)methylamino]-4-methoxyphenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(methyl)amino]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(C)CCC#N)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(C)CCC#N)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C19H18BrN7O6/c1-11(28)22-14-9-16(25(2)6-4-5-21)18(33-3)10-15(14)23-24-19-13(20)7-12(26(29)30)8-17(19)27(31)32/h7-10H,4,6H2,1-3H3,(H,22,28)",C19H18BrN7O6,,,,,,DRFGZSNORGHVNW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.105,268-335-7,68067-33-4,2-methylbutyl decanoate,2-methylbutyl decanoate,CCCCCCCCCC(=O)OCC(C)CC,CCCCCCCCCC(=O)OCC(C)CC,"InChI=1/C15H30O2/c1-4-6-7-8-9-10-11-12-15(16)17-13-14(3)5-2/h14H,4-13H2,1-3H3",C15H30O2,,,,,,JRJPVFOFQVUVLG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.113,268-344-6,68072-50-4,"N,N'-(iminodiethylene)distearamide monoacetate","N,N'-(iminodiethane-2,1-diyl)dioctadecanamide acetate",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C40H81N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h41H,3-38H2,1-2H3,(H,42,44)(H,43,45);1H3,(H,3,4)",C40H81N3O2.C2H4O2,,,,,,YZOMNHPVJAYPSW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.118,268-349-3,68072-55-9,"4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)benzoic acid","4-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)benzoic acid",CC1=CC(C)(C)NC(=S)N1c2ccc(cc2)C(=O)O,CC1=CC(C)(C)NC(=S)N1c2ccc(cc2)C(=O)O,"InChI=1/C14H16N2O2S/c1-9-8-14(2,3)15-13(19)16(9)11-6-4-10(5-7-11)12(17)18/h4-8H,1-3H3,(H,15,19)(H,17,18)",C14H16N2O2S,,,,,,ZYEUCFNXDKQSOD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.347,301-628-0,94023-30-0,Sodium N-[2-[(2-hydroxyethyl)amino]ethyl]-N-(1-oxododecyl)glycinate,sodium (dodecanoyl{2-[(2-hydroxyethyl)amino]ethyl}amino)acetate,[Na+].CCCCCCCCCCCC(=O)N(CCNCCO)CC(=O)[O-],[Na+].CCCCCCCCCCCC(=O)N(CCNCCO)CC(=O)[O-],"InChI=1/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)20(16-18(23)24)14-12-19-13-15-21;/h19,21H,2-16H2,1H3,(H,23,24);/q;+1/p-1",C18H36N2O4.Na,,,,,,IVSRFSBQTCKMCL-UHFFFAOYSA-M,,,,,,,,,,,
100.092.353,301-634-3,94023-36-6,"N,N'-[iminobis(ethyleneiminoethylene)]bismyristamide monoacetate","N-(13-oxo-3,6,9,12-tetraazahexacos-1-yl)tetradecanamide acetate (non-preferred name)",CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCC.CC(=O)O,"InChI=1/C36H75N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(42)40-33-31-38-29-27-37-28-30-39-32-34-41-36(43)26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h37-39H,3-34H2,1-2H3,(H,40,42)(H,41,43);1H3,(H,3,4)",C36H75N5O2.C2H4O2,,,,,,KOKXCRRMSRWXFL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.359,301-641-1,94023-42-4,"4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium acetate","1-(2-hydroxyethyl)-2-undecyl-4,5-dihydro-1H-imidazol-1-ium acetate",CCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-],CCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-],"InChI=1/C16H32N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19;1-2(3)4/h19H,2-15H2,1H3;1H3,(H,3,4)",C16H32N2O.C2H4O2,,,,,,JQWVEKVPFBJSAK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.360,301-642-7,94023-43-5,"4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-1H-imidazolium acetate","1-(2-hydroxyethyl)-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium acetate",CCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-],CCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-],"InChI=1/C18H36N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18)16-17-21;1-2(3)4/h21H,2-17H2,1H3;1H3,(H,3,4)",C18H36N2O.C2H4O2,,,,,,RHEIWBLLWLGOFB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.305,298-283-0,93803-12-4,"Hexadecyl octadecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","hexadecyl octadecyl hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC.OCCN(CCO)CCO,"InChI=1/C34H71O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38-39(35,36)37-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-34H2,1-2H3,(H,35,36);8-10H,1-6H2",C34H71O4P.C6H15NO3,,,,,,SDGHKFRRMYSHLN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.306,298-284-6,93803-14-6,"Octadec-9-enyl octadecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","octadec-9-en-1-yl octadecyl hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.O=P(O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCCCCCCCCCCC,OCCN(CCO)CCO.O=P(O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1/C36H73O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h17,19H,3-16,18,20-36H2,1-2H3,(H,37,38);8-10H,1-6H2",C36H73O4P.C6H15NO3,,,,,,QMHUWCFQJDCYFY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.316,298-295-6,93803-25-9,2-formyl-1-(3-sulphonatopropyl)pyridinium,3-(2-formylpyridinium-1-yl)propane-1-sulfonate,[O-]S(=O)(=O)CCC[n+]1ccccc1C=O,[O-]S(=O)(=O)CCC[n+]1ccccc1C=O,"InChI=1/C9H11NO4S/c11-8-9-4-1-2-5-10(9)6-3-7-15(12,13)14/h1-2,4-5,8H,3,6-7H2",C9H11NO4S,,,,,,XNYJHHBIOBNSOL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.318,298-297-7,93803-27-1,3-formyl-1-(3-sulphonatopropyl)pyridinium,3-(3-formylpyridinium-1-yl)propane-1-sulfonate,[O-]S(=O)(=O)CCC[n+]1cccc(C=O)c1,[O-]S(=O)(=O)CCC[n+]1cccc(C=O)c1,"InChI=1/C9H11NO4S/c11-8-9-3-1-4-10(7-9)5-2-6-15(12,13)14/h1,3-4,7-8H,2,5-6H2",C9H11NO4S,,,,,,SOPYNQPQCZIJCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.319,298-298-2,93803-28-2,4-benzyl-1-(3-sulphonatopropyl)pyridinium,3-(4-benzylpyridinium-1-yl)propane-1-sulfonate,[O-]S(=O)(=O)CCC[n+]1ccc(Cc2ccccc2)cc1,[O-]S(=O)(=O)CCC[n+]1ccc(Cc2ccccc2)cc1,"InChI=1/C15H17NO3S/c17-20(18,19)12-4-9-16-10-7-15(8-11-16)13-14-5-2-1-3-6-14/h1-3,5-8,10-11H,4,9,12-13H2",C15H17NO3S,,,,,,GLYYWBKHAJZWOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.212,300-380-0,93939-89-0,Tridecasodium hydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"tridecasodium hydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.13Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;;;;;/q;13*+1/p-14",C15H44N5O21P7.13Na,,,,,,SXRKALVIPLMNLF-UHFFFAOYSA-A,,,,,,,,,,,
100.091.226,300-395-2,93940-03-5,4-[(2-methoxy-5-methylphenyl)azo]naphthol,4-[(2-methoxy-5-methylphenyl)diazenyl]-1-naphthol,COc3ccc(C)cc3N=Nc2ccc(O)c1ccccc12,COc3ccc(C)cc3N=Nc2ccc(O)c1ccccc12,"InChI=1/C18H16N2O2/c1-12-7-10-18(22-2)16(11-12)20-19-15-8-9-17(21)14-6-4-3-5-13(14)15/h3-11,21H,1-2H3",C18H16N2O2,,,,,,FWAFJTHBQBNFMA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.230,300-399-4,93940-07-9,"N,N-diethyl-2-methoxypropionamide","N,N-diethyl-2-methoxypropanamide",CCN(CC)C(=O)C(C)OC,CCN(CC)C(=O)C(C)OC,"InChI=1/C8H17NO2/c1-5-9(6-2)8(10)7(3)11-4/h7H,5-6H2,1-4H3",C8H17NO2,,,,,,FVZPOZXGULEVOU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.054,285-890-0,85154-08-1,"Lactic acid, compound with 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1,N,N-trimethylethylamine (1:1)","2-hydroxypropanoic acid - 1-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)-N,N-dimethylpropan-2-amine (1:1)",CC(O)C(=O)O.CC(CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3)N(C)C,CC(O)C(=O)O.CC(CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3)N(C)C,"InChI=1/C20H24ClN3O2S.C3H6O3/c1-15(23(2)3)14-27(25,26)19-10-8-18(9-11-19)24-13-12-20(22-24)16-4-6-17(21)7-5-16;1-2(4)3(5)6/h4-11,15H,12-14H2,1-3H3;2,4H,1H3,(H,5,6)",C20H24ClN3O2S.C3H6O3,,,,,,TVBOOZZXKDXSHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.058,285-894-2,85154-12-7,Dimethylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl phosphonate,"N,N-dimethyl-2-(stearoyloxy)-N-[2-(stearoyloxy)ethyl]ethanaminium methyl phosphonate",CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC.COP(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC.COP(=O)[O-],"InChI=1/C42H84NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h5-40H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1",C42H84NO4.CH4O3P,,,,,,FXIVXIWHQRTVMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.078.061,285-897-9,85154-17-2,"Trisodium pyrene-1,3,6-trisulphonate","trisodium pyrene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccc3c(cc(c4ccc1c2c34)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccc3c(cc(c4ccc1c2c34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H10O9S3.3Na/c17-26(18,19)12-6-2-8-1-3-10-13(27(20,21)22)7-14(28(23,24)25)11-5-4-9(12)15(8)16(10)11;;;/h1-7H,(H,17,18,19)(H,20,21,22)(H,23,24,25);;;/q;3*+1/p-3",C16H10O9S3.3Na,,,,,,DYMFZRARZACULM-UHFFFAOYSA-K,,,,,,,,,,,
100.078.064,285-901-9,85154-20-7,2-(methyloctadecylamino)propanol,2-[methyl(octadecyl)amino]propan-1-ol,CCCCCCCCCCCCCCCCCCN(C)C(C)CO,CCCCCCCCCCCCCCCCCCN(C)C(C)CO,"InChI=1/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3)22(2)21-24/h22,24H,4-21H2,1-3H3",C22H47NO,,,,,,RDYPPOMZYCGGIN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.169,302-533-7,94109-93-0,"1,1'-(butane-1,4-diyl)bis[2-amino-1,5-dihydro-4H-imidazol-4-one]","1,1'-butane-1,4-diylbis(2-amino-1,5-dihydro-4H-imidazol-4-one)",NC1=NC(=O)CN1CCCCN2CC(=O)N=C2N,NC1=NC(=O)CN1CCCCN2CC(=O)N=C2N,"InChI=1/C10H16N6O2/c11-9-13-7(17)5-15(9)3-1-2-4-16-6-8(18)14-10(16)12/h1-6H2,(H2,11,13,17)(H2,12,14,18)",C10H16N6O2,,,,,,HDAJWRXMTWQMJB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.170,302-534-2,94109-94-1,"1,1'-(ethane-1,2-diyl)bis[2-amino-1,5-dihydro-4H-imidazol-4-one]","1,1'-ethane-1,2-diylbis(2-amino-1,5-dihydro-4H-imidazol-4-one)",NC1=NC(=O)CN1CCN2CC(=O)N=C2N,NC1=NC(=O)CN1CCN2CC(=O)N=C2N,"InChI=1/C8H12N6O2/c9-7-11-5(15)3-13(7)1-2-14-4-6(16)12-8(14)10/h1-4H2,(H2,9,11,15)(H2,10,12,16)",C8H12N6O2,,,,,,OWVNMJLUJPSCBU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.172,302-536-3,94109-96-3,"(E)-3-hexenyl (2Z,4Z)-2,4-decadienoate","hex-3-en-1-yl deca-2,4-dienoate",CCCCC\\C=C/C=C\\C(=O)OCC\\C=C\\CC,CCCCC\C=C/C=C\C(=O)OCC\C=C\CC,"InChI=1/C16H26O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8,10-12,14H,3-5,7,9,13,15H2,1-2H3",C16H26O2,,,,,,GDCDHOABPPVBLT-DBQLZJNWSA-N,,,,,,,,,,,
100.093.179,302-544-7,94110-05-1,"2-ethyl-2-(hydroxymethyl)propane-1,3-diyl adipate",6-[2-{[(5-carboxypentanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]-6-oxohexanoate,CCC(CO)(COC(=O)CCCCC(=O)O)COC(=O)CCCCC(=O)[O-],CCC(CO)(COC(=O)CCCCC(=O)O)COC(=O)CCCCC(=O)[O-],"InChI=1/C18H30O9/c1-2-18(11-19,12-26-16(24)9-5-3-7-14(20)21)13-27-17(25)10-6-4-8-15(22)23/h19H,2-13H2,1H3,(H,20,21)(H,22,23)/p-1",C18H30O9,,,,,,GXOABUFMYVQIGL-UHFFFAOYSA-M,,,,,,,,,,,
100.093.194,302-560-4,94113-29-8,[2-[3-[2-hydroxy-5-[(phenylsulphonyl)amino]phenyl]-3-oxo-1-propenyl]phenoxy]acetic acid,[2-(3-{2-hydroxy-5-[(phenylsulfonyl)amino]phenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid,O=S(=O)(Nc1cc(c(O)cc1)C(=O)C=Cc2ccccc2OCC(O)=O)c3ccccc3,O=S(=O)(Nc1cc(c(O)cc1)C(=O)C=Cc2ccccc2OCC(O)=O)c3ccccc3,"InChI=1/C23H19NO7S/c25-20(12-10-16-6-4-5-9-22(16)31-15-23(27)28)19-14-17(11-13-21(19)26)24-32(29,30)18-7-2-1-3-8-18/h1-14,24,26H,15H2,(H,27,28)",C23H19NO7S,,,,,,KBTTYCJNTVGMIL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.086,285-926-5,85168-84-9,1-(carboxylatomethyl)dimethylpyridinium,"(2,3-dimethylpyridinium-1-yl)acetate",Cc1ccc[n+](CC(=O)[O-])c1C,Cc1ccc[n+](CC(=O)[O-])c1C,"InChI=1/C9H11NO2/c1-7-4-3-5-10(8(7)2)6-9(11)12/h3-5H,6H2,1-2H3",C9H11NO2,,,,,,GXHXILXUVIOAQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.089,285-929-1,85168-87-2,"1-(2,2-dimethoxyethoxy)butane","1-(2,2-dimethoxyethoxy)butane",CCCCOCC(OC)OC,CCCCOCC(OC)OC,"InChI=1/C8H18O3/c1-4-5-6-11-7-8(9-2)10-3/h8H,4-7H2,1-3H3",C8H18O3,,,,,,NKPXTNPNZFWDCL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.094,285-934-9,85168-92-9,"Penta-1,3-diene-2,4-diyl diacetate","penta-1,3-diene-2,4-diyl diacetate",CC(=O)OC(=C)C=C(C)OC(C)=O,CC(=O)OC(=C)C=C(C)OC(C)=O,"InChI=1/C9H12O4/c1-6(12-8(3)10)5-7(2)13-9(4)11/h5H,1H2,2-4H3",C9H12O4,,,,,,WKYIJSKXLFGLAN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.100,285-941-7,85168-98-5,"Sodium (R)-2,3-dimercaptopropanesulphonate","sodium 2,3-disulfanylpropane-1-sulfonate",[Na+].[O-]S(=O)(=O)C[C@H](S)CS,[Na+].[O-]S(=O)(=O)C[C@H](S)CS,"InChI=1/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1",C3H8O3S3.Na,,,,,,FGGPAWQCCGEWTJ-AENDTGMFSA-M,,,,,,,,,,,
100.088.499,297-394-1,93479-48-2,Decyl cyclohexanecarboxylate,decyl cyclohexanecarboxylate,CCCCCCCCCCOC(=O)C1CCCCC1,CCCCCCCCCCOC(=O)C1CCCCC1,"InChI=1/C17H32O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h16H,2-15H2,1H3",C17H32O2,,,,,,MOZHOBFQUILDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.128,299-188-7,93857-53-5,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl] hydrogen phosphate","bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl) hydrogen phosphate",OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C32H9F58O4P/c33-5(34,7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)25(73,74)27(77,78)29(81,82)31(85,86)87)1-3-93-95(91,92)94-4-2-6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(71,72)26(75,76)28(79,80)30(83,84)32(88,89)90/h1-4H2,(H,91,92)",C32H9F58O4P,,,,,,VAPDLYGIEFOUOV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.135,299-196-0,93857-60-4,"Trisodium N-[4-[[2-[4-[[1-amino-8-hydroxy-7-(phenylazo)-3,6-disulpho-2-naphthyl]azo]phenyl]-1H-benzimidazol-5-yl]azo]-3-hydroxyphenyl]glycinate","trisodium N-[4-[[2-[4-[[1-amino-8-hydroxy-7-(phenylazo)-3,6-disulpho-2-naphthyl]azo]phenyl]-1H-benzimidazol-5-yl]azo]-3-hydroxyphenyl]glycinate",[Na+].[Na+].[Na+].OS(=O)(=O)c7cc2cc(c(/N=N/c1ccccc1)c(O)c2c(N)c7/N=N/c3ccc(cc3)C=4Nc5cc(ccc5N=4)/N=N/c6ccc(NCC([O-])=O)cc6O)S(O)(=O)=O,[Na+].[Na+].[Na+].OS(=O)(=O)c7cc2cc(c(/N=N/c1ccccc1)c(O)c2c(N)c7/N=N/c3ccc(cc3)C=4Nc5cc(ccc5N=4)/N=N/c6ccc(NCC([O-])=O)cc6O)S(O)(=O)=O,"InChI=1/C37H28N10O10S2.3Na/c38-33-32-20(15-30(59(55,56)57)35(36(32)51)47-42-21-4-2-1-3-5-21)14-29(58(52,53)54)34(33)46-43-22-8-6-19(7-9-22)37-40-25-12-11-24(16-27(25)41-37)44-45-26-13-10-23(17-28(26)48)39-18-31(49)50;;;/h1-17,39,48,51H,18,38H2,(H,40,41)(H,49,50)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-1",C37H28N10O10S2.3Na,,,,,,CGERCXKIXPEQOB-VJYLTYOASA-M,,,,,,,,,,,
100.090.141,299-202-1,93857-66-0,"Trisodium 1-(5-amino-2-methyl-3-sulphonatophenyl)-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate","trisodium 1-(5-amino-2-methyl-3-sulfonatophenyl)-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3N=NC2\\C(=N/N(c1cc(N)cc(c1C)S([O-])(=O)=O)C2=O)C([O-])=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3N=NC2\C(=N/N(c1cc(N)cc(c1C)S([O-])(=O)=O)C2=O)C([O-])=O,"InChI=1/C17H15N5O9S2.3Na/c1-8-11(6-9(18)7-13(8)33(29,30)31)22-16(23)14(15(21-22)17(24)25)20-19-10-4-2-3-5-12(10)32(26,27)28;;;/h2-7,14H,18H2,1H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3",C17H15N5O9S2.3Na,,,,,,OPQXHWKJVBHGMN-UHFFFAOYSA-K,,,,,,,,,,,
100.090.142,299-203-7,93857-67-1,"5-chloro-2-[3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-3-methyl-1H-benzimidazolium iodide","5-chloro-2-[3-(5-chloro-1-ethyl-3-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1-ethyl-3-methyl-2,3-dihydro-1H-benzimidazol-1-ium iodide",[I-].CC[NH+]4c1ccc(Cl)cc1N(C)C4C=CC=C3N(C)c2cc(Cl)ccc2N3CC,[I-].CC[NH+]4c1ccc(Cl)cc1N(C)C4C=CC=C3N(C)c2cc(Cl)ccc2N3CC,"InChI=1/C23H26Cl2N4.HI/c1-5-28-18-12-10-16(24)14-20(18)26(3)22(28)8-7-9-23-27(4)21-15-17(25)11-13-19(21)29(23)6-2;/h7-15,22H,5-6H2,1-4H3;1H",C23H25Cl2N4.I,,,,,,MZJLCNAJVFPGQH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.408,268-669-3,68133-26-6,2-methoxyethyl N-(5-amino-2-methoxyphenyl)-ß-alaninate,2-methoxyethyl N-(5-amino-2-methoxyphenyl)-beta-alaninate,COCCOC(=O)CCNc1cc(N)ccc1OC,COCCOC(=O)CCNc1cc(N)ccc1OC,"InChI=1/C13H20N2O4/c1-17-7-8-19-13(16)5-6-15-11-9-10(14)3-4-12(11)18-2/h3-4,9,15H,5-8,14H2,1-2H3",C13H20N2O4,,,,,,AZQGFJYXVUIQEN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.409,268-670-9,68133-27-7,4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]-6-(methylamino)naphthalene-2-sulphonic acid,4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]-6-(methylamino)naphthalene-2-sulfonic acid,COc3ccc(N=Nc2c(cc1ccc(NC)cc1c2O)S(O)(=O)=O)c(c3)S(O)(=O)=O,COc3ccc(N=Nc2c(cc1ccc(NC)cc1c2O)S(O)(=O)=O)c(c3)S(O)(=O)=O,"InChI=1/C18H17N3O8S2/c1-19-11-4-3-10-7-16(31(26,27)28)17(18(22)13(10)8-11)21-20-14-6-5-12(29-2)9-15(14)30(23,24)25/h3-9,19,22H,1-2H3,(H,23,24,25)(H,26,27,28)",C18H17N3O8S2,,,,,,XHHWJFFOFMYBHG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.411,268-673-5,68133-29-9,"Sodium trihydrogen 4,5-dihydro-5-oxo-4-[(3-phosphonatophenyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trihydrogen sodium 5-oxo-4-[(3-phosphonatophenyl)diazenyl]-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[H+].[H+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O,[H+].[H+].[H+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O,"InChI=1/C16H13N4O9PS.Na.3H2/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29;;;;/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29);;3*1H/q;4*+1/p-4",C16H13N4O9PS.Na,,,,,,XQCKBVYUAFMPIN-UHFFFAOYSA-M,,,,,,,,,,,
100.091.233,300-402-9,93940-10-4,2-[2-(dimethylamino)-1-[(dimethylamino)methyl]ethoxy]ethanol,2-{2-(dimethylamino)-1-[(dimethylamino)methyl]ethoxy}ethanol,CN(C)CC(CN(C)C)OCCO,CN(C)CC(CN(C)C)OCCO,"InChI=1/C9H22N2O2/c1-10(2)7-9(8-11(3)4)13-6-5-12/h9,12H,5-8H2,1-4H3",C9H22N2O2,,,,,,MLNYDAYLTYEMME-UHFFFAOYSA-N,,,,,,,,,,,
100.087.444,296-232-7,92426-30-7,"1,3-dibromo-5,5-diphenylimidazolidine-2,4-dione","1,3-dibromo-5,5-diphenylimidazolidine-2,4-dione",BrN1C(=O)N(Br)C(C1=O)(c2ccccc2)c3ccccc3,BrN1C(=O)N(Br)C(C1=O)(c2ccccc2)c3ccccc3,"InChI=1/C15H10Br2N2O2/c16-18-13(20)15(19(17)14(18)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",C15H10Br2N2O2,,,,,,YHELUCUIFBBFGG-UHFFFAOYSA-N,,,,,,,,,,,
100.087.445,296-233-2,92440-76-1,"2-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-4-one","2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4(1H)-one",COc1cc(CC2=CNC(=NC2=O)N)cc(OC)c1OC,COc1cc(CC2=CNC(=NC2=O)N)cc(OC)c1OC,"InChI=1/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(15)17-13(9)18/h5-7H,4H2,1-3H3,(H3,15,16,17,18)",C14H17N3O4,,,,,,ZKFZTBRMADDRMK-UHFFFAOYSA-N,,,,,,,,,,,
100.087.446,296-234-8,92446-57-6,"2,3,3a,4,5,6-hexahydro-1H-indolo[3,2,1-de][1,5]naphthyridine monohydrochloride","2,3,3a,4,5,6-hexahydro-1H-indolo[3,2,1-de][1,5]naphthyridine hydrochloride",Cl.C1CC2NCCc3c2n(C1)c4ccccc34,Cl.C1CC2NCCc3c2n(C1)c4ccccc34,"InChI=1/C14H16N2.ClH/c1-2-6-13-10(4-1)11-7-8-15-12-5-3-9-16(13)14(11)12;/h1-2,4,6,12,15H,3,5,7-9H2;1H",C14H16N2.ClH,,,,,,OOYHTKAIYUJMLM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.368,301-651-6,94023-53-7,Isobutyl 3-thienylacetate,isobutyl 3-thienylacetate,CC(C)COC(=O)Cc1ccsc1,CC(C)COC(=O)Cc1ccsc1,"InChI=1/C10H14O2S/c1-8(2)6-12-10(11)5-9-3-4-13-7-9/h3-4,7-8H,5-6H2,1-2H3",C10H14O2S,,,,,,DEPSFIADZHYHQA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.369,301-652-1,94023-54-8,Sodium (2-hydroxyethyl)dithiocarbamate,sodium (2-hydroxyethyl)dithiocarbamate,[Na+].OCCNC(=S)[S-],[Na+].OCCNC(=S)[S-],"InChI=1/C3H7NOS2.Na/c5-2-1-4-3(6)7;/h5H,1-2H2,(H2,4,6,7);/q;+1/p-1",C3H7NOS2.Na,,,,,,RBPTUZAGNVCQFO-UHFFFAOYSA-M,,,,,,,,,,,
100.092.373,301-656-3,94023-58-2,"N,N'-bis(4-hydroxyphenyl)thioperoxydicarbamic acid",dioxybis{[(4-hydroxyphenyl)sulfanyl]carbamic acid},OC(=O)N(OON(Sc1ccc(O)cc1)C(=O)O)Sc2ccc(O)cc2,OC(=O)N(OON(Sc1ccc(O)cc1)C(=O)O)Sc2ccc(O)cc2,"InChI=1/C14H12N2O8S2/c17-9-1-5-11(6-2-9)25-15(13(19)20)23-24-16(14(21)22)26-12-7-3-10(18)4-8-12/h1-8,17-18H,(H,19,20)(H,21,22)",C14H12N2O2S4,,,,,,FYNDGNGCVXODSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.087.882,296-714-7,93002-38-1,"2,2,4,6,6-pentamethylheptane-4-thiol","2,2,4,6,6-pentamethylheptane-4-thiol",CC(C)(C)CC(C)(S)CC(C)(C)C,CC(C)(C)CC(C)(S)CC(C)(C)C,"InChI=1/C12H26S/c1-10(2,3)8-12(7,13)9-11(4,5)6/h13H,8-9H2,1-7H3",C12H26S,,,,,,CXUHLUIXDGOURI-UHFFFAOYSA-N,,,,,,,,,,,
100.087.893,296-726-2,93028-34-3,"Docosanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C22H44O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+2/p-1",-,,,,,,FOYHCOXGLYJPQI-UHFFFAOYSA-M,,,,,,,,,,,
100.087.899,296-733-0,93028-41-2,"Heptadecanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C17H34O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+2/p-1",-,,,,,,MPNXVMBZLDVEQG-UHFFFAOYSA-M,,,,,,,,,,,
100.089.327,298-306-4,93803-36-2,"Disodium 4-amino-3-[[4-[5-[(2,4-diamino-5-methylphenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-[(4-{5-[(2,4-diamino-5-methylphenyl)diazenyl]-1H-benzimidazol-2-yl}phenyl)diazenyl]-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6cc(C)c(N)cc6N)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6cc(C)c(N)cc6N)S([O-])(=O)=O,"InChI=1/C36H29N11O7S2.2Na/c1-18-13-27(25(38)17-24(18)37)45-44-23-11-12-26-28(16-23)41-36(40-26)19-7-9-22(10-8-19)43-46-33-29(55(49,50)51)14-20-15-30(56(52,53)54)34(35(48)31(20)32(33)39)47-42-21-5-3-2-4-6-21;;/h2-17,48H,37-39H2,1H3,(H,40,41)(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2",C36H29N11O7S2.2Na,,,,,,CJVRPDGCCFVVGD-UHFFFAOYSA-L,,,,,,,,,,,
100.089.328,298-308-5,93803-37-3,"Disodium 4-amino-5-hydroxy-3-[[4-[5-[(4-hydroxyphenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3-[(4-{5-[(4-hydroxyphenyl)diazenyl]-1H-benzimidazol-2-yl}phenyl)diazenyl]-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6)S([O-])(=O)=O,"InChI=1/C35H25N9O8S2.2Na/c36-31-30-20(17-29(54(50,51)52)33(34(30)46)44-40-21-4-2-1-3-5-21)16-28(53(47,48)49)32(31)43-41-22-8-6-19(7-9-22)35-37-26-15-12-24(18-27(26)38-35)42-39-23-10-13-25(45)14-11-23;;/h1-18,45-46H,36H2,(H,37,38)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C35H25N9O8S2.2Na,,,,,,VDUMASGBXMQFSM-UHFFFAOYSA-L,,,,,,,,,,,
100.093.098,302-455-3,94109-17-8,2-[[(2-ethylhexyl)methylamino]carbonyl]benzoic acid,2-[(2-ethylhexyl)(methyl)carbamoyl]benzoic acid,CCCCC(CC)CN(C)C(=O)c1ccccc1C(=O)O,CCCCC(CC)CN(C)C(=O)c1ccccc1C(=O)O,"InChI=1/C17H25NO3/c1-4-6-9-13(5-2)12-18(3)16(19)14-10-7-8-11-15(14)17(20)21/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,20,21)",C17H25NO3,,,,,,HPUSQEZAYXCVSP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.106,302-464-2,94109-25-8,Sodium 3-[(8-hydroxyquinolin-7-yl)azo]benzenesulphonate,sodium 3-[(8-hydroxyquinolin-7-yl)diazenyl]benzenesulfonate,[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc2ccc3cccnc3c2O,[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc2ccc3cccnc3c2O,"InChI=1/C15H11N3O4S.Na/c19-15-13(7-6-10-3-2-8-16-14(10)15)18-17-11-4-1-5-12(9-11)23(20,21)22;/h1-9,19H,(H,20,21,22);/q;+1/p-1",C15H11N3O4S.Na,,,,,,FBPOUMYQGBSUCS-UHFFFAOYSA-M,,,,,,,,,,,
100.089.196,298-163-8,93778-28-0,"4,4,15,15-tetraethoxy-9,10-bis[3-(triethoxysilyl)propoxy]-3,8,11,16-tetraoxa-4,15-disilaoctadecane","4,4,15,15-tetraethoxy-9,10-bis[3-(triethoxysilyl)propoxy]-3,8,11,16-tetraoxa-4,15-disilaoctadecane",CCO[Si](CCCOC(OCCC[Si](OCC)(OCC)OCC)C(OCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC,CCO[Si](CCCOC(OCCC[Si](OCC)(OCC)OCC)C(OCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1/C38H86O16Si4/c1-13-43-55(44-14-2,45-15-3)33-25-29-39-37(40-30-26-34-56(46-16-4,47-17-5)48-18-6)38(41-31-27-35-57(49-19-7,50-20-8)51-21-9)42-32-28-36-58(52-22-10,53-23-11)54-24-12/h37-38H,13-36H2,1-12H3",C38H86O16Si4,,,,,,ZFGKRUSODAXGST-UHFFFAOYSA-N,,,,,,,,,,,
100.089.211,298-180-0,93778-43-9,Bis[(carboxymethyl)trimethylammonium] sulphate,"bis(carboxy-N,N,N-trimethylmethanaminium) sulfate",C[N+](C)(C)CC(=O)O.C[N+](C)(C)CC(=O)O.[O-]S(=O)(=O)[O-],C[N+](C)(C)CC(=O)O.C[N+](C)(C)CC(=O)O.[O-]S(=O)(=O)[O-],"InChI=1/2C5H11NO2.H2O4S/c2*1-6(2,3)4-5(7)8;1-5(2,3)4/h2*4H2,1-3H3;(H2,1,2,3,4)",C5H12NO2.1/2O4S,,,,,,VQOJVZCNOWWFTE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.213,298-182-1,93778-45-1,2-hydroxytetracosyl 12-hydroxyoctadecanoate,2-hydroxytetracosyl 12-hydroxyoctadecanoate,CCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C42H84O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-37-41(44)39-46-42(45)38-34-30-27-24-23-25-28-32-36-40(43)35-31-8-6-4-2/h40-41,43-44H,3-39H2,1-2H3",C42H84O4,,,,,,AZHGNMQXHATDEK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.215,298-184-2,93778-47-3,"4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol","4,8-diamino-9,10-dihydroanthracene-1,5,9,10-tetrol",Nc1ccc(O)c2C(O)c3c(N)ccc(O)c3C(O)c12,Nc1ccc(O)c2C(O)c3c(N)ccc(O)c3C(O)c12,"InChI=1/C14H14N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,13-14,17-20H,15-16H2",C14H14N2O4,,,,,,NABHKBGZIKOEJG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.216,298-185-8,93778-48-4,"4-amino-9,10-dihydro-8-(methylamino)anthracene-1,5,9,10-tetrol","4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol",CNc1ccc(O)c2C(O)c3c(N)ccc(O)c3C(O)c12,CNc1ccc(O)c2C(O)c3c(N)ccc(O)c3C(O)c12,"InChI=1/C15H16N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,14-15,17-21H,16H2,1H3",C15H16N2O4,,,,,,VADNTLNWICTOOR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.220,298-190-5,93778-52-0,2-decyltetradecanoic acid,2-decyltetradecanoic acid,CCCCCCCCCCCCC(CCCCCCCCCC)C(=O)O,CCCCCCCCCCCCC(CCCCCCCCCC)C(=O)O,"InChI=1/C24H48O2/c1-3-5-7-9-11-13-14-16-18-20-22-23(24(25)26)21-19-17-15-12-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)",C24H48O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18880,https://echa.europa.eu/substance-information/-/substanceinfo/100.089.220,OYXVDHZABMXCMX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.221,298-191-0,93778-53-1,"8,8-didodecyl-1,4-dioxa-7,9-dithia-8-stannacycloundecane-5,11-dione","5,5-didodecyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione",CCCCCCCCCCCC[Sn]1(CCCCCCCCCCCC)SCC(=O)OCCOC(=O)CS1,CCCCCCCCCCCC[Sn]1(CCCCCCCCCCCC)SCC(=O)OCCOC(=O)CS1,"InChI=1/2C12H25.C6H10O4S2.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;7-5(3-11)9-1-2-10-6(8)4-12;/h2*1,3-12H2,2H3;11-12H,1-4H2;/q;;;+2/p-2/rC30H58O4S2Sn/c1-3-5-7-9-11-13-15-17-19-21-25-37(26-22-20-18-16-14-12-10-8-6-4-2)35-27-29(31)33-23-24-34-30(32)28-36-37/h3-28H2,1-2H3",C30H58O4S2Sn,,,,,,OGNXWEIEJAABBN-UHFFFAOYSA-L,,,,,,,,,,,
100.093.109,302-467-9,94109-28-1,"12,12-dibutyl-4,4,6,6,8,8,10,10-octaethoxy-3,5,7,9,11-pentaoxa-4,6,8,10-tetrasila-12-stannahexadecane","diethyl 1,1,3,3-tetraethoxy-3-[(tributylstannyl)oxy]disiloxanyl triethoxysilyl orthosilicate",CCCC[Sn](CCCC)(CCCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,CCCC[Sn](CCCC)(CCCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC,"InChI=1/C18H45O13Si4.3C4H9.Sn/c1-10-20-32(19,21-11-2)29-34(25-15-6,26-16-7)31-35(27-17-8,28-18-9)30-33(22-12-3,23-13-4)24-14-5;3*1-3-4-2;/h10-18H2,1-9H3;3*1,3-4H2,2H3;/q-1;;;;+1/rC30H72O13Si4Sn/c1-13-25-28-48(29-26-14-2,30-27-15-3)43-47(38-23-11,39-24-12)42-46(36-21-9,37-22-10)41-45(34-19-7,35-20-8)40-44(31-16-4,32-17-5)33-18-6/h13-30H2,1-12H3",C30H72O13Si4Sn,,,,,,GTYIOBJDILSBAS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.110,302-468-4,94109-29-2,"Methyl [8-amino-9,10-dihydro-5-hydroxy-9,10-dioxo-4-[(4-phenoxyphenyl)amino]-1-anthryl]carbamate","methyl {8-amino-5-hydroxy-9,10-dioxo-4-[(4-phenoxyphenyl)amino]-9,10-dihydroanthracen-1-yl}carbamate",COC(=O)Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)c4C(=O)c5c(O)ccc(N)c5C(=O)c14,COC(=O)Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)c4C(=O)c5c(O)ccc(N)c5C(=O)c14,"InChI=1/C28H21N3O6/c1-36-28(35)31-20-13-12-19(30-15-7-9-17(10-8-15)37-16-5-3-2-4-6-16)23-24(20)26(33)22-18(29)11-14-21(32)25(22)27(23)34/h2-14,30,32H,29H2,1H3,(H,31,35)",C28H21N3O6,,,,,,MYYKTKYFWDMXSC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.102,285-943-8,85169-00-2,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium iodide,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium iodide,[I-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,[I-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,"InChI=1/C15H16N3S.HI/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1",C15H16N3S.I,,,,,,JSEURZUBQKLHQV-UHFFFAOYSA-M,,,,,,,,,,,
100.078.107,285-949-0,85169-05-7,Ethyl 3-[(4-methylphenyl)thio]propionate,ethyl 3-[(4-methylphenyl)sulfanyl]propanoate,CCOC(=O)CCSc1ccc(C)cc1,CCOC(=O)CCSc1ccc(C)cc1,"InChI=1/C12H16O2S/c1-3-14-12(13)8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3",C12H16O2S,,,,,,JHQSBVMORQJICP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.110,285-952-7,85169-08-0,Strontium adipate,strontium adipate,[Sr+2].[O-]C(=O)CCCCC(=O)[O-],[Sr+2].[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.Sr/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2",C6H10O4.Sr,,,,,,LTMDDMGNVZBECP-UHFFFAOYSA-L,,,,,,,,,,,
100.078.120,285-963-7,85169-21-7,4-ethoxy-2-mercaptobenzamide,4-ethoxy-2-sulfanylbenzamide,CCOc1ccc(C(=O)N)c(S)c1,CCOc1ccc(C(=O)N)c(S)c1,"InChI=1/C9H11NO2S/c1-2-12-6-3-4-7(9(10)11)8(13)5-6/h3-5,13H,2H2,1H3,(H2,10,11)",C9H11NO2S,,,,,,RWOSVQWVYSMNOG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.204,302-571-4,94113-39-0,N-[2-[(2-aminoethyl)amino]ethyl]dodecanamide monoacetate,N-{2-[(2-aminoethyl)amino]ethyl}dodecanamide acetate,CCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O,CCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O,"InChI=1/C16H35N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-14-18-13-12-17;1-2(3)4/h18H,2-15,17H2,1H3,(H,19,20);1H3,(H,3,4)",C16H35N3O.C2H4O2,,,,,,XBXQLPNTJQNSQD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.208,302-576-1,94113-43-6,"a,ß,ß-trimethylcyclohexylpropyl acetate","1,2,2-tris(1-methylcyclohexyl)propyl acetate",CC(=O)OC(C(C)(C1(C)CCCCC1)C2(C)CCCCC2)C3(C)CCCCC3,CC(=O)OC(C(C)(C1(C)CCCCC1)C2(C)CCCCC2)C3(C)CCCCC3,"InChI=1/C26H46O2/c1-21(27)28-22(23(2)15-9-6-10-16-23)26(5,24(3)17-11-7-12-18-24)25(4)19-13-8-14-20-25/h22H,6-20H2,1-5H3",C14H26O2,,,,,,ORLXCQPHYBJUGK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.220,302-589-2,94113-55-0,"4'-bromo-a-(4-chlorophenyl)-a-[(dimethylamino)methyl][1,1'-biphenyl]-4-methanol",1-(4'-bromobiphenyl-4-yl)-1-(4-chlorophenyl)-2-(dimethylamino)ethanol,CN(C)CC(O)(c1ccc(Cl)cc1)c2ccc(cc2)c3ccc(Br)cc3,CN(C)CC(O)(c1ccc(Cl)cc1)c2ccc(cc2)c3ccc(Br)cc3,"InChI=1/C22H21BrClNO/c1-25(2)15-22(26,19-9-13-21(24)14-10-19)18-7-3-16(4-8-18)17-5-11-20(23)12-6-17/h3-14,26H,15H2,1-2H3",C22H21BrClNO,,,,,,OFFPTPYCGCGSMN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.229,302-599-7,94113-65-2,"4,4'-(methylenedicyclohexane-1,4-diyl)bis[1,1-dimethylsemicarbazide]","N,N'-(methylenedicyclohexane-4,1-diyl)bis(2,2-dimethylhydrazinecarboxamide)",CN(C)NC(=O)NC1CCC(CC2CCC(CC2)NC(=O)NN(C)C)CC1,CN(C)NC(=O)NC1CCC(CC2CCC(CC2)NC(=O)NN(C)C)CC1,"InChI=1/C19H38N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h14-17H,5-13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)",C19H38N6O2,,,,,,SVOIFFCGMDXIDI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.230,302-600-0,94113-66-3,"(9Z,12Z)-N-[2-[(2-aminoethyl)amino]ethyl]octadeca-9,12-dien-1-amide hydrochloride","N-{2-[(2-aminoethyl)amino]ethyl}octadeca-9,12-dienamide hydrochloride",Cl.CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)NCCNCCN,Cl.CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCNCCN,"InChI=1/C22H43N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;/h6-7,9-10,24H,2-5,8,11-21,23H2,1H3,(H,25,26);1H",C22H43N3O.xClH,,,,,,RGHLBNYWPWHJHD-NBTZWHCOSA-N,,,,,,,,,,,
100.093.236,302-606-3,94113-72-1,"1-(2-aminoethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium chloride",1-(2-aminoethyl)-3-(2-hydroxyethyl)-2-undecylimidazolidin-1-ium chloride,[Cl-].CCCCCCCCCCCC1N(CCO)CC[NH+]1CCN,[Cl-].CCCCCCCCCCCC1N(CCO)CC[NH+]1CCN,"InChI=1/C18H39N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-20(13-12-19)14-15-21(18)16-17-22;/h18,22H,2-17,19H2,1H3;1H",C18H38N3O.Cl,,,,,,IKFJICUOXXCIMV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.237,302-607-9,94113-73-2,Dipotassium hexadec-2-enylsuccinate,dipotassium 2-hexadec-2-en-1-ylsuccinate,[K+].[K+].[O-]C(=O)CC(CC=CCCCCCCCCCCCCC)C([O-])=O,[K+].[K+].[O-]C(=O)CC(CC=CCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C20H36O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;;/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2",C20H36O4.2K,,,,,,KPIFSXBSZJIYLO-UHFFFAOYSA-L,,,,,,,,,,,
100.093.239,302-610-5,94113-76-5,"Disodium 5-(acetylamino)-4-hydroxy-3-[[4-methyl-2-[(phenylsulphonyl)amino]phenyl]azo]naphthalene-2,7-disulphonate","disodium 5-acetamido-4-hydroxy-3-({4-methyl-2-[(phenylsulfonyl)amino]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].O=S(=O)(Nc3cc(C)ccc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c4ccccc4,[Na+].[Na+].O=S(=O)(Nc3cc(C)ccc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c4ccccc4,"InChI=1/C25H22N4O10S3.2Na/c1-14-8-9-19(20(10-14)29-40(32,33)17-6-4-3-5-7-17)27-28-24-22(42(37,38)39)12-16-11-18(41(34,35)36)13-21(26-15(2)30)23(16)25(24)31;;/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C25H22N4O10S3.2Na,,,,,,YXKMNMHSCZNTIH-UHFFFAOYSA-L,,,,,,,,,,,
100.093.240,302-611-0,94113-77-6,"Butyl dihydrogen phosphate, compound with 3-methoxypropylamine",butyl dihydrogen phosphate - 3-methoxypropan-1-amine (1:1),CCCCOP(=O)(O)O.COCCCN,CCCCOP(=O)(O)O.COCCCN,"InChI=1/C4H11NO.C4H11O4P/c1-6-4-2-3-5;1-2-3-4-8-9(5,6)7/h2-5H2,1H3;2-4H2,1H3,(H2,5,6,7)",C4H11NO.xC4H11O4P,,,,,,BIQGMMVVEHFKFI-UHFFFAOYSA-N,,,,,,,,,,,
100.067.993,274-815-7,70715-12-7,"Stearic acid, compound with N,N-dimethyldodecylamine (1:1)","octadecanoic acid - N,N-dimethyldodecan-1-amine (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCN(C)C,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCN(C)C,"InChI=1/C18H36O2.C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h2-17H2,1H3,(H,19,20);4-14H2,1-3H3",C18H36O2.C14H31N,,,,,,PTFXSPOKTOSTLD-UHFFFAOYSA-N,,,,,,,,,,,
100.069.255,276-204-0,71951-01-4,Tetrachlorodimethyldisilane,"1,1,1,2-tetrachloro-2,2-dimethyldisilane",C[Si](C)(Cl)[Si](Cl)(Cl)Cl,C[Si](C)(Cl)[Si](Cl)(Cl)Cl,"InChI=1/C2H6Cl4Si2/c1-7(2,3)8(4,5)6/h1-2H3",C2H6Cl4Si2,,,,,,PVGYYKBIUKOMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.279,276-230-2,71965-10-1,"[(2,3,4-trichlorophenyl)thio]acetic acid","[(2,3,4-trichlorophenyl)sulfanyl]acetic acid",OC(=O)CSc1ccc(Cl)c(Cl)c1Cl,OC(=O)CSc1ccc(Cl)c(Cl)c1Cl,"InChI=1/C8H5Cl3O2S/c9-4-1-2-5(8(11)7(4)10)14-3-6(12)13/h1-2H,3H2,(H,12,13)",C8H5Cl3O2S,,,,,,WYGFOYJKRHDDBG-UHFFFAOYSA-N,,,,,,,,,,,
100.069.280,276-231-8,71965-11-2,"Pentyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol","pentyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCOP(=O)(O)O.OCCN(CCO)CCO,CCCCCOP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C6H15NO3.C5H13O4P/c8-4-1-7(2-5-9)3-6-10;1-2-3-4-5-9-10(6,7)8/h8-10H,1-6H2;2-5H2,1H3,(H2,6,7,8)",C6H15NO3.xC5H13O4P,,,,,,BCJJYLYOTVBUPG-UHFFFAOYSA-N,,,,,,,,,,,
100.064.907,271-419-6,68555-28-2,"[2,2-bis(3-methylbutoxy)ethyl]benzene","[2,2-bis(3-methylbutoxy)ethyl]benzene",CC(C)CCOC(Cc1ccccc1)OCCC(C)C,CC(C)CCOC(Cc1ccccc1)OCCC(C)C,"InChI=1/C18H30O2/c1-15(2)10-12-19-18(20-13-11-16(3)4)14-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3",C18H30O2,,,,,,SVLVFYGIGOCFCD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.915,271-428-5,68555-41-9,"N,N,N',N'-tetrapropylethylenediamine","N,N,N',N'-tetrapropylethane-1,2-diamine",CCCN(CCC)CCN(CCC)CCC,CCCN(CCC)CCN(CCC)CCC,"InChI=1/C14H32N2/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4/h5-14H2,1-4H3",C14H32N2,,,,,,HVBXZPOGJMBMLN-UHFFFAOYSA-N,,,,,,,,,,,
100.064.916,271-429-0,68555-53-3,"(Z)-9,9-dimethoxynon-3-ene","9,9-dimethoxynon-3-ene",CC\\C=C/CCCCC(OC)OC,CC\C=C/CCCCC(OC)OC,"InChI=1/C11H22O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h5-6,11H,4,7-10H2,1-3H3",C11H22O2,,,,,,UVCRVXVBFFMDFR-WAYWQWQTSA-N,,,,,,,,,,,
100.064.926,271-440-0,68555-63-5,2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one,2-methyl-4-oxo-4H-pyran-3-yl propionate,CCC(=O)OC1=C(C)OC=CC1=O,CCC(=O)OC1=C(C)OC=CC1=O,"InChI=1/C9H10O4/c1-3-8(11)13-9-6(2)12-5-4-7(9)10/h4-5H,3H2,1-2H3",C9H10O4,,,,,,NBKYPRRBTKRGLE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.927,271-441-6,68555-64-6,"(Z)-1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene","1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene",CCOC(C)OC\\C=C(\\C)/CCC=C(C)C,CCOC(C)OC\C=C(\C)/CCC=C(C)C,"InChI=1/C14H26O2/c1-6-15-14(5)16-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3",C14H26O2,,,,,,XJMAAOIVFHDJAK-RAXLEYEMSA-N,,,,,,,,,,,
100.062.413,268-675-6,68133-32-4,"Disodium 2,2'-[(2,2'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl)]bisethanesulphonate","disodium 2,2'-[(2,2'-dimethoxybiphenyl-4,4'-diyl)bis(1-methyltriaz-2-ene-3,1-diyl)]diethanesulfonate",[Na+].[Na+].COc2cc(ccc2c1ccc(N=NN(C)CCS([O-])(=O)=O)cc1OC)N=NN(C)CCS([O-])(=O)=O,[Na+].[Na+].COc2cc(ccc2c1ccc(N=NN(C)CCS([O-])(=O)=O)cc1OC)N=NN(C)CCS([O-])(=O)=O,"InChI=1/C20H28N6O8S2.2Na/c1-25(9-11-35(27,28)29)23-21-15-5-7-17(19(13-15)33-3)18-8-6-16(14-20(18)34-4)22-24-26(2)10-12-36(30,31)32;;/h5-8,13-14H,9-12H2,1-4H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C20H28N6O8S2.2Na,,,,,,RVHGYYPBLMGUJY-UHFFFAOYSA-L,,,,,,,,,,,
100.062.415,268-677-7,68133-34-6,N-[2-(diethylamino)ethyl]stearamide phosphate,N-[2-(diethylamino)ethyl]octadecanamide phosphate,CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC.OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC.OP(=O)(O)O,"InChI=1/C24H50N2O.H3O4P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3;1-5(2,3)4/h4-23H2,1-3H3,(H,25,27);(H3,1,2,3,4)",C24H50N2O.H3O4P,,,,,,YHGUXFPXYIRPRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.416,268-678-2,68133-35-7,2-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]benzoic acid,2-[(6-amino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]benzoic acid,OC(=O)c3ccccc3N=Nc2c(cc1cc(N)ccc1c2O)S(O)(=O)=O,OC(=O)c3ccccc3N=Nc2c(cc1cc(N)ccc1c2O)S(O)(=O)=O,"InChI=1/C17H13N3O6S/c18-10-5-6-11-9(7-10)8-14(27(24,25)26)15(16(11)21)20-19-13-4-2-1-3-12(13)17(22)23/h1-8,21H,18H2,(H,22,23)(H,24,25,26)",C17H13N3O6S,,,,,,RTTVSZDELFXAPX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.422,268-685-0,68133-41-5,4-[(4-chloro-2-methylphenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide,4-[(4-chloro-2-methylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)cc4,Clc4cc(C)c(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)cc4,"InChI=1/C25H20ClN3O2/c1-15-7-3-6-10-21(15)27-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)29-28-22-12-11-18(26)13-16(22)2/h3-14,30H,1-2H3,(H,27,31)",C25H20ClN3O2,,,,,,XCVUQESRBODIHT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.423,268-686-6,68133-42-6,"N-(2,5-dichlorophenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide","N-(2,5-dichlorophenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide",Clc5ccc(Cl)cc5NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2OC)C(=O)Nc3ccccc3)c4O,Clc5ccc(Cl)cc5NC(=O)c4cc1ccccc1c(N=Nc2cc(ccc2OC)C(=O)Nc3ccccc3)c4O,"InChI=1/C31H22Cl2N4O4/c1-41-27-14-11-19(30(39)34-21-8-3-2-4-9-21)16-26(27)36-37-28-22-10-6-5-7-18(22)15-23(29(28)38)31(40)35-25-17-20(32)12-13-24(25)33/h2-17,38H,1H3,(H,34,39)(H,35,40)",C31H22Cl2N4O4,,,,,,SIEHQRUVSSLCHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.334,298-314-8,93803-43-1,2-cyclopentyl-4-nitrosophenol,2-cyclopentyl-4-nitrosophenol,Oc1ccc(cc1C2CCCC2)N=O,Oc1ccc(cc1C2CCCC2)N=O,"InChI=1/C11H13NO2/c13-11-6-5-9(12-14)7-10(11)8-3-1-2-4-8/h5-8,13H,1-4H2",C11H13NO2,,,,,,CBCWWMWAAXQAPD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.338,298-319-5,93803-48-6,"2,2-dibromo-N-carbamoyl-2-cyanoacetamide","2,2-dibromo-N-carbamoyl-2-cyanoacetamide",NC(=O)NC(=O)C(Br)(Br)C#N,NC(=O)NC(=O)C(Br)(Br)C#N,"InChI=1/C4H3Br2N3O2/c5-4(6,1-7)2(10)9-3(8)11/h(H3,8,9,10,11)",C4H3Br2N3O2,,,,,,KKOZXXAVHCADOY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.344,298-325-8,93803-54-4,"Formic acid, compound with N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide (1:1)",formic acid - N-{2-[(2-hydroxyethyl)amino]ethyl}octadecanamide (1:1),CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.OC=O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.OC=O,"InChI=1/C22H46N2O2.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;2-1-3/h23,25H,2-21H2,1H3,(H,24,26);1H,(H,2,3)",C22H46N2O2.CH2O2,,,,,,KEGZTWUIEOCTAD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.345,298-326-3,93803-55-5,Dimethyl[2-(stearoyloxy)ethyl]ammonium formate,"N,N-dimethyl-2-(stearoyloxy)ethanaminium formate",CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](C)C.[O-]C=O,CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](C)C.[O-]C=O,"InChI=1/C22H45NO2.CH2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23(2)3;2-1-3/h4-21H2,1-3H3;1H,(H,2,3)",C22H45NO2.CH2O2,,,,,,KAPMATBNQZNNQU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.349,298-331-0,93803-59-9,"2,2'-(2-methylpropylidene)bis[4,6-diisopropylphenol]","2,2'-(2-methylpropane-1,1-diyl)bis(4,6-diisopropylphenol)",CC(C)C(c1cc(cc(C(C)C)c1O)C(C)C)c2cc(cc(C(C)C)c2O)C(C)C,CC(C)C(c1cc(cc(C(C)C)c1O)C(C)C)c2cc(cc(C(C)C)c2O)C(C)C,"InChI=1/C28H42O2/c1-15(2)20-11-22(17(5)6)27(29)24(13-20)26(19(9)10)25-14-21(16(3)4)12-23(18(7)8)28(25)30/h11-19,26,29-30H,1-10H3",C28H42O2,,,,,,KPJUNYFTCMRIRE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.360,298-343-6,93803-70-4,"2-methoxy-N'-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine","2-methoxy-N~4~-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine",COCCOCCNc1ccc(N)c(OC)c1,COCCOCCNc1ccc(N)c(OC)c1,"InChI=1/C12H20N2O3/c1-15-7-8-17-6-5-14-10-3-4-11(13)12(9-10)16-2/h3-4,9,14H,5-8,13H2,1-2H3",C12H20N2O3,,,,,,JBVZTNGDRBICPC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.239,300-409-7,93940-16-0,"N-[5,8-bis[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide","N-{5,8-bis[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}benzamide",O=C(Nc1cccc2C(=O)c3c(Nc4cccc5C(=O)c6ccccc6C(=O)c45)ccc(Nc7cccc8C(=O)c9ccccc9C(=O)c78)c3C(=O)c12)c%10ccccc%10,O=C(Nc1cccc2C(=O)c3c(Nc4cccc5C(=O)c6ccccc6C(=O)c45)ccc(Nc7cccc8C(=O)c9ccccc9C(=O)c78)c3C(=O)c12)c%10ccccc%10,"InChI=1/C49H27N3O7/c53-43-26-13-4-6-15-28(26)45(55)38-30(43)17-8-20-33(38)50-36-23-24-37(51-34-21-9-18-31-39(34)46(56)29-16-7-5-14-27(29)44(31)54)42-41(36)47(57)32-19-10-22-35(40(32)48(42)58)52-49(59)25-11-2-1-3-12-25/h1-24,50-51H,(H,52,59)",C49H27N3O7,,,,,,GMLICCAWSVNEBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.244,300-414-4,93940-21-7,"3,3'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[1-triazene-1-carbonitrile]","3,3'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bistriaz-1-ene-1-carbonitrile",COc1cc(ccc1NN=NC#N)c2ccc(NN=NC#N)c(OC)c2,COc1cc(ccc1NN=NC#N)c2ccc(NN=NC#N)c(OC)c2,"InChI=1/C16H14N8O2/c1-25-15-7-11(3-5-13(15)21-23-19-9-17)12-4-6-14(16(8-12)26-2)22-24-20-10-18/h3-8H,1-2H3,(H,19,21)(H,20,22)",C16H14N8O2,,,,,,PEGQAOVWHYLVFW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.004,302-351-8,94108-13-1,Methyl 4-[(dimethylamino)thioxomethoxy]salicylate,methyl 4-[(dimethylcarbamothioyl)oxy]-2-hydroxybenzoate,COC(=O)c1ccc(OC(=S)N(C)C)cc1O,COC(=O)c1ccc(OC(=S)N(C)C)cc1O,"InChI=1/C11H13NO4S/c1-12(2)11(17)16-7-4-5-8(9(13)6-7)10(14)15-3/h4-6,13H,1-3H3",C11H13NO4S,,,,,,HUUAMQCGSPKFSI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.028,302-378-5,94108-38-0,Sodium 1-dodecyl-5-oxopyrrolidine-3-carboxylate,sodium 1-dodecyl-5-oxopyrrolidine-3-carboxylate,[Na+].CCCCCCCCCCCCN1CC(CC1=O)C(=O)[O-],[Na+].CCCCCCCCCCCCN1CC(CC1=O)C(=O)[O-],"InChI=1/C17H31NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17(20)21)13-16(18)19;/h15H,2-14H2,1H3,(H,20,21);/q;+1/p-1",C17H31NO3.Na,,,,,,DFICTAHXWKTJSE-UHFFFAOYSA-M,,,,,,,,,,,
100.089.129,298-089-6,93777-57-2,"Naphthalene-1,5-disulphonic acid, compound with 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine (1:2)","naphthalene-1,5-disulfonic acid - 1-[4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine (1:2)",OS(=O)(=O)c2cccc1c2cccc1S(O)(=O)=O.Clc1ccc(cc1)CC(=CCN2CCCC2)c3ccccc3.Clc3ccc(CC(=CCN1CCCC1)c2ccccc2)cc3,OS(=O)(=O)c2cccc1c2cccc1S(O)(=O)=O.Clc1ccc(cc1)CC(=CCN2CCCC2)c3ccccc3.Clc3ccc(CC(=CCN1CCCC1)c2ccccc2)cc3,"InChI=1/2C20H22ClN.C10H8O6S2/c2*21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*1-3,6-12H,4-5,13-16H2;1-6H,(H,11,12,13)(H,14,15,16)",C20H22ClN.1/2C10H8O6S2,,,,,,OCOQSLMGOIWOJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.132,298-092-2,93777-60-7,"N-[2-(diethylamino)ethyl]-3,4-dimethoxy-a-[(3,4,5-trimethoxyphenyl)methylene]phenylacetamide monohydrochloride","N-[2-(diethylamino)ethyl]-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylamide hydrochloride",Cl.COc1c(cc(cc1OC)C=C(c2ccc(OC)c(OC)c2)C(=O)NCCN(CC)CC)OC,Cl.COc1c(cc(cc1OC)C=C(c2ccc(OC)c(OC)c2)C(=O)NCCN(CC)CC)OC,"InChI=1/C26H36N2O6.ClH/c1-8-28(9-2)13-12-27-26(29)20(19-10-11-21(30-3)22(17-19)31-4)14-18-15-23(32-5)25(34-7)24(16-18)33-6;/h10-11,14-17H,8-9,12-13H2,1-7H3,(H,27,29);1H",C26H36N2O6.ClH,,,,,,CWFBJVXTLQLUQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.113,302-472-6,94109-32-7,"2-ethyl-4-methyl-2-pentyl-1,3-dioxolane","2-ethyl-4-methyl-2-pentyl-1,3-dioxolane",CCCCCC1(CC)OCC(C)O1,CCCCCC1(CC)OCC(C)O1,"InChI=1/C11H22O2/c1-4-6-7-8-11(5-2)12-9-10(3)13-11/h10H,4-9H2,1-3H3",C11H22O2,,,,,,JQRFKHALYVCDPD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.117,302-476-8,94109-36-1,Tetrakis[bicyclo[2.2.1]hept-2-ylmethyl] orthosilicate,tetrakis(bicyclo[2.2.1]hept-2-ylmethyl) orthosilicate,C(O[Si](OCC1CC2CCC1C2)(OCC3CC4CCC3C4)OCC5CC6CCC5C6)C7CC8CCC7C8,C(O[Si](OCC1CC2CCC1C2)(OCC3CC4CCC3C4)OCC5CC6CCC5C6)C7CC8CCC7C8,"InChI=1/C32H52O4Si/c1-5-25-9-21(1)13-29(25)17-33-37(34-18-30-14-22-2-6-26(30)10-22,35-19-31-15-23-3-7-27(31)11-23)36-20-32-16-24-4-8-28(32)12-24/h21-32H,1-20H2",C32H52O4Si,,,,,,BZEAMUVUGJOBIB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.226,298-196-8,93778-58-6,2'-deoxyinosine 3'-benzoate,9-(3-O-benzoyl-2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol,OC[C@H]1O[C@H](C[C@@H]1OC(=O)c2ccccc2)n3cnc4c(O)ncnc34,OC[C@H]1O[C@H](C[C@@H]1OC(=O)c2ccccc2)n3cnc4c(O)ncnc34,"InChI=1/C17H16N4O5/c22-7-12-11(26-17(24)10-4-2-1-3-5-10)6-13(25-12)21-9-20-14-15(21)18-8-19-16(14)23/h1-5,8-9,11-13,22H,6-7H2,(H,18,19,23)",C17H16N4O5,,,,,,RZQPZGXOKJLURQ-YNEHKIRRSA-N,,,,,,,,,,,
100.089.233,298-203-4,93778-67-7,"tert-pentyl 2,2-dimethylperoxybutyrate","1,1-dimethylpropyl 2,2-bis(methylperoxy)butanoate",CCC(C)(C)OC(=O)C(CC)(OOC)OOC,CCC(C)(C)OC(=O)C(CC)(OOC)OOC,"InChI=1/C11H22O6/c1-7-10(3,4)15-9(12)11(8-2,16-13-5)17-14-6/h7-8H2,1-6H3",C11H22O3,,,,,,COJXAYDKQFCQAO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.234,298-205-5,93778-70-2,1-(bicyclo[2.2.1]hept-5-en-2-yl)-3-piperidinopropan-1-one hydrochloride,1-bicyclo[2.2.1]hept-5-en-2-yl-3-piperidin-1-ylpropan-1-one hydrochloride,Cl.O=C(CCN1CCCCC1)C2CC3CC2C=C3,Cl.O=C(CCN1CCCCC1)C2CC3CC2C=C3,"InChI=1/C15H23NO.ClH/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12;/h4-5,12-14H,1-3,6-11H2;1H",C15H23NO.ClH,,,,,,USULVVOHRFBIFX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.235,298-206-0,93778-71-3,1-(bicyclo[2.2.1]hept-5-en-2-yl)-3-piperidinopropan-1-one,1-bicyclo[2.2.1]hept-5-en-2-yl-3-piperidin-1-ylpropan-1-one,O=C(CCN1CCCCC1)C2CC3CC2C=C3,O=C(CCN1CCCCC1)C2CC3CC2C=C3,"InChI=1/C15H23NO/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12/h4-5,12-14H,1-3,6-11H2",C15H23NO,,,,,,KRQADKCTBWUTRW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.244,298-216-5,93778-80-4,N-[3-(dodecylamino)propyl]glycine hydrochloride,N-[3-(dodecylamino)propyl]glycine hydrochloride,Cl.CCCCCCCCCCCCNCCCNCC(=O)O,Cl.CCCCCCCCCCCCNCCCNCC(=O)O,"InChI=1/C17H36N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21;/h18-19H,2-16H2,1H3,(H,20,21);1H",C17H36N2O2.xClH,,,,,,FMJIRTGWWDILFD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.249,298-221-2,93783-15-4,"3,3-dichloro-2-oxoindoline-5-sulphonyl chloride","3,3-dichloro-2-oxoindoline-5-sulfonyl chloride",ClC1(Cl)C(=O)Nc2ccc(cc12)S(=O)(=O)Cl,ClC1(Cl)C(=O)Nc2ccc(cc12)S(=O)(=O)Cl,"InChI=1/C8H4Cl3NO3S/c9-8(10)5-3-4(16(11,14)15)1-2-6(5)12-7(8)13/h1-3H,(H,12,13)",C8H4Cl3NO3S,,,,,,XXQVRYBFEWKZBM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.875,300-009-2,93919-24-5,"Potassium hydrogen 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonate","potassium hydrogen 1,5-dihydroxy-4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate",[K+].Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)[O-],[K+].Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H6N2O14S2.K/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)8-4(16(23)24)2-6(32(28,29)30)12(18)10(8)13(7)19;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);/q;+1/p-2",C14H6N2O14S2.K,,,,,,UMPYOFXAGNQYMY-UHFFFAOYSA-L,,,,,,,,,,,
100.090.880,300-015-5,93919-29-0,Trimethyl-2-[(1-oxoallyl)oxy]propylammonium chloride,"2-(acryloyloxy)-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].CC(C[N+](C)(C)C)OC(=O)C=C,[Cl-].CC(C[N+](C)(C)C)OC(=O)C=C,"InChI=1/C9H18NO2.ClH/c1-6-9(11)12-8(2)7-10(3,4)5;/h6,8H,1,7H2,2-5H3;1H/q+1;/p-1",C9H18NO2.Cl,,,,,,SFLBDBJLRVHQLY-UHFFFAOYSA-M,,,,,,,,,,,
100.092.625,301-934-4,94087-40-8,3-chloro-2-fluorobenzonitrile,3-chloro-2-fluorobenzonitrile,Fc1c(Cl)cccc1C#N,Fc1c(Cl)cccc1C#N,InChI=1/C7H3ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,C7H3ClFN,,,,,,CHKLNKWJIDQKFV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.631,301-941-2,94087-50-0,Trisodium hydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate,trisodium hydrogen {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[Na+].[Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.3Na/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;/q;3*+1/p-4",C10H25NO6P2.3Na,,,,,,BLKOZPKUYQOOFQ-UHFFFAOYSA-J,,,,,,,,,,,
100.092.652,301-964-8,94087-71-5,"2-amino-1-hexadecyl-1,5-dihydro-4H-imidazol-4-one","2-amino-1-hexadecyl-1,5-dihydro-4H-imidazol-4-one",CCCCCCCCCCCCCCCCN1CC(=O)N=C1N,CCCCCCCCCCCCCCCCN1CC(=O)N=C1N,"InChI=1/C19H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18(23)21-19(22)20/h2-17H2,1H3,(H2,20,21,23)",C19H37N3O,,,,,,WQUXMLDVJYFLLN-UHFFFAOYSA-N,,,,,,,,,,,
100.087.786,296-609-6,92860-49-6,"Methyl 1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethyl-2-naphthoate","methyl 2,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylate",COC(=O)C1(C)CCC2=C(C1)C(C)(C)CCC2,COC(=O)C1(C)CCC2=C(C1)C(C)(C)CCC2,"InChI=1/C15H24O2/c1-14(2)8-5-6-11-7-9-15(3,10-12(11)14)13(16)17-4/h5-10H2,1-4H3",C15H24O2,,,,,,JLQDNUAEHHGXMP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.025,299-075-2,93842-98-9,"2-(2,4-dichlorophenyl)-2-oxoacetamide","2-(2,4-dichlorophenyl)-2-oxoacetamide",NC(=O)C(=O)c1ccc(Cl)cc1Cl,NC(=O)C(=O)c1ccc(Cl)cc1Cl,"InChI=1/C8H5Cl2NO2/c9-4-1-2-5(6(10)3-4)7(12)8(11)13/h1-3H,(H2,11,13)",C8H5Cl2NO2,,,,,,KZURMKZAGBRHQM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.251,286-107-5,85187-19-5,"12,12-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5,8,11,13,16,19,22-octaoxa-12-silatricosane",tetrakis{2-[2-(2-methoxyethoxy)ethoxy]ethyl} orthosilicate,COCCOCCOCCO[Si](OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC,COCCOCCOCCO[Si](OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC,"InChI=1/C28H60O16Si/c1-29-5-9-33-13-17-37-21-25-41-45(42-26-22-38-18-14-34-10-6-30-2,43-27-23-39-19-15-35-11-7-31-3)44-28-24-40-20-16-36-12-8-32-4/h5-28H2,1-4H3",C28H60O16Si,,,,,,DYBLTIAFXZBWPG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.253,286-109-6,85187-21-9,"Diethyl [2-(2,2,3-trimethylcyclopentyl)ethyl]malonate","diethyl [2-(2,2,3-trimethylcyclopentyl)ethyl]malonate",CCOC(=O)C(CCC1CCC(C)C1(C)C)C(=O)OCC,CCOC(=O)C(CCC1CCC(C)C1(C)C)C(=O)OCC,"InChI=1/C17H30O4/c1-6-20-15(18)14(16(19)21-7-2)11-10-13-9-8-12(3)17(13,4)5/h12-14H,6-11H2,1-5H3",C17H30O4,,,,,,UVELSJAJXCLTED-UHFFFAOYSA-N,,,,,,,,,,,
100.078.254,286-110-1,85187-22-0,"o-(1,1,2,2-tetrafluoroethoxy)benzaldehyde","2-(1,1,2,2-tetrafluoroethoxy)benzaldehyde",FC(F)C(F)(F)Oc1ccccc1C=O,FC(F)C(F)(F)Oc1ccccc1C=O,"InChI=1/C9H6F4O2/c10-8(11)9(12,13)15-7-4-2-1-3-6(7)5-14/h1-5,8H",C9H6F4O2,,,,,,XYNDDBJXUBHBOI-UHFFFAOYSA-N,,,,,,,,,,,
100.078.255,286-111-7,85187-23-1,"1,3,5-triisopropyl-2,4-dinitrobenzene","1,3,5-triisopropyl-2,4-dinitrobenzene",CC(C)c1cc(C(C)C)c(c(C(C)C)c1[N+](=O)[O-])[N+](=O)[O-],CC(C)c1cc(C(C)C)c(c(C(C)C)c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C15H22N2O4/c1-8(2)11-7-12(9(3)4)15(17(20)21)13(10(5)6)14(11)16(18)19/h7-10H,1-6H3",C15H22N2O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11287,https://echa.europa.eu/substance-information/-/substanceinfo/100.078.255,NGJYAFYAFKBGRH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.260,286-116-4,85187-28-6,(S)-1-[(5-oxo-2-pyrrolidinyl)carbonyl]pyrrolidine,5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-2-one,O=C([C@@H]1CCC(=O)N1)N2CCCC2,O=C([C@@H]1CCC(=O)N1)N2CCCC2,"InChI=1/C9H14N2O2/c12-8-4-3-7(10-8)9(13)11-5-1-2-6-11/h7H,1-6H2,(H,10,12)",C9H14N2O2,,,,,,IWMYEQSITOXBMZ-ZETCQYMHSA-N,,,,,,,,,,,
100.078.261,286-118-5,85187-29-7,(S)-4-[(5-oxo-2-pyrrolidinyl)carbonyl]morpholine,5-(morpholin-4-ylcarbonyl)pyrrolidin-2-one,O=C([C@@H]1CCC(=O)N1)N2CCOCC2,O=C([C@@H]1CCC(=O)N1)N2CCOCC2,"InChI=1/C9H14N2O3/c12-8-2-1-7(10-8)9(13)11-3-5-14-6-4-11/h7H,1-6H2,(H,10,12)",C9H14N2O3,,,,,,WPDJMBAXQKFEOI-ZETCQYMHSA-N,,,,,,,,,,,
100.078.262,286-119-0,85187-30-0,"(S)-N,N-dihexyl-5-oxopyrrolidine-2-carboxamide","N,N-dihexyl-5-oxo-L-prolinamide",CCCCCCN(CCCCCC)C(=O)[C@@H]1CCC(=O)N1,CCCCCCN(CCCCCC)C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C17H32N2O2/c1-3-5-7-9-13-19(14-10-8-6-4-2)17(21)15-11-12-16(20)18-15/h15H,3-14H2,1-2H3,(H,18,20)",C17H32N2O2,,,,,,OVTOJTYOERMOBJ-HNNXBMFYSA-N,,,,,,,,,,,
100.078.266,286-123-2,85187-34-4,Methyl 1H-benzimidazol-2-ylcarbamate monohydrobromide,methyl 1H-benzimidazol-2-ylcarbamate hydrobromide,Br.COC(=O)Nc1nc2ccccc2[nH]1,Br.COC(=O)Nc1nc2ccccc2[nH]1,"InChI=1/C9H9N3O2.BrH/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;/h2-5H,1H3,(H2,10,11,12,13);1H",C9H9N3O2.BrH,,,,,,MIDUSXSVFYCCEX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.267,286-124-8,85187-35-5,"1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole hydrobromide","1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole hydrobromide",Br.Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,Br.Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,"InChI=1/C14H14Cl2N2O.BrH/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;/h2-6,8,10,14H,1,7,9H2;1H",C14H14Cl2N2O.BrH,,,,,,HIOIXMLFWXLHOY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.278,286-136-3,85187-46-8,Ethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-3-nitrobenzoate,ethyl 4-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-3-nitrobenzoate,OCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)C(=O)OCC)cc2,OCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)C(=O)OCC)cc2,"InChI=1/C19H22N4O6/c1-2-29-19(26)14-3-8-17(18(13-14)23(27)28)21-20-15-4-6-16(7-5-15)22(9-11-24)10-12-25/h3-8,13,24-25H,2,9-12H2,1H3",C19H22N4O6,,,,,,MFJQDORQIYGGNT-UHFFFAOYSA-N,,,,,,,,,,,
100.078.284,286-143-1,85187-52-6,[(tetrahydro-2-furyl)methyl]piperidine,1-(tetrahydrofuran-2-ylmethyl)piperidine,C(C1CCCO1)N2CCCCC2,C(C1CCCO1)N2CCCCC2,"InChI=1/C10H19NO/c1-2-6-11(7-3-1)9-10-5-4-8-12-10/h10H,1-9H2",C10H19NO,,,,,,IHZVGLCONDEBNK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.289,286-148-9,85187-61-7,"N,N'-[(acetylimino)diethane-1,2-diyl]distearamide","N,N'-[(acetylimino)diethane-2,1-diyl]dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C,"InChI=1/C42H83N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(47)43-36-38-45(40(3)46)39-37-44-42(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3,(H,43,47)(H,44,48)",C42H83N3O3,,,,,,VCQYHVFEMBIZQT-UHFFFAOYSA-N,,,,,,,,,,,
100.084.022,292-459-0,90622-57-4,"Alkanes, C9-12-iso-",2-methyldecane,CCCCCCCCC(C)C,CCCCCCCCC(C)C,"InChI=1/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3",-,,,,,,CNPVJWYWYZMPDS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.241,302-612-6,94113-78-7,Bis(2-ethoxyethyl) hydrogen phosphate,bis(2-ethoxyethyl) hydrogen phosphate,CCOCCOP(=O)(O)OCCOCC,CCOCCOP(=O)(O)OCCOCC,"InChI=1/C8H19O6P/c1-3-11-5-7-13-15(9,10)14-8-6-12-4-2/h3-8H2,1-2H3,(H,9,10)",C8H19O6P,,,,,,LYBYLVMWDKBFTO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.427,268-690-8,68133-58-4,"Stearic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)",octadecanoic acid - 2-amino-2-methylpropan-1-ol (1:1),CCCCCCCCCCCCCCCCCC(=O)O.CC(C)(N)CO,CCCCCCCCCCCCCCCCCC(=O)O.CC(C)(N)CO,"InChI=1/C18H36O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2,5)3-6/h2-17H2,1H3,(H,19,20);6H,3,5H2,1-2H3",C18H36O2.C4H11NO,,,,,,UEJPMIPIBSXRNL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.435,268-699-7,68133-72-2,(Z)-(3-hexenyloxy)acetaldehyde,(hex-3-en-1-yloxy)acetaldehyde,CC\\C=C/CCOCC=O,CC\C=C/CCOCC=O,"InChI=1/C8H14O2/c1-2-3-4-5-7-10-8-6-9/h3-4,6H,2,5,7-8H2,1H3",C8H14O2,,,,,,WNAJHTHKGZCCGS-ARJAWSKDSA-N,,,,,,,,,,,
100.062.437,268-701-6,68133-74-4,2-(hex-3-enyl)cyclopentan-1-one,2-hex-3-en-1-ylcyclopentanone,O=C1CCCC1CCC=CCC,O=C1CCCC1CCC=CCC,"InChI=1/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h3-4,10H,2,5-9H2,1H3",C11H18O,,,,,,RCJIQNYPBKOVOC-UHFFFAOYSA-N,,,,,,,,,,,
100.062.438,268-702-1,68133-75-5,(Z)-3-hexenyl cinnamate,hex-3-en-1-yl 3-phenylacrylate,CC\\C=C/CCOC(=O)\\C=C\\c1ccccc1,CC\C=C/CCOC(=O)\C=C\c1ccccc1,"InChI=1/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3",C15H18O2,,,,,,FKWGVMQNGUQXDN-FECXASIGSA-N,,,,,,,,,,,
100.062.440,268-704-2,68133-77-7,(E)-2-hexenyl salicylate,hex-2-en-1-yl salicylate,CCC\\C=C\\COC(=O)c1ccccc1O,CCC\C=C\COC(=O)c1ccccc1O,"InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h4-9,14H,2-3,10H2,1H3",C13H16O3,,,,,,DLWPCXLFHSLSMZ-QPJJXVBHSA-N,,,,,,,,,,,
100.062.450,268-715-2,68133-88-0,Diammonium pentachlororuthenate,diammonium pentachlororuthenate,[NH4+].[NH4+].Cl[Ru-](Cl)(Cl)(Cl)Cl.Cl[Ru-](Cl)(Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Ru-](Cl)(Cl)(Cl)Cl.Cl[Ru-](Cl)(Cl)(Cl)Cl,"InChI=1/10ClH.2H3N.2Ru/h10*1H;2*1H3;;/q;;;;;;;;;;;;2*+6/p-8/r2Cl5Ru.2H3N/c2*1-6(2,3,4)5;;/h;;2*1H3/q2*+1;;/p+2",Cl5Ru.2H4N,,,,,,LUFHMOWSTJSWDO-UHFFFAOYSA-F,,,,,,,,,,,
100.069.303,276-256-4,71989-26-9,N6-(tert-butoxycarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine,N~6~-(tert-butoxycarbonyl)-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine,CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-8-14-22(23(29)30)28-25(32)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)",C26H32N2O6,,,,,,UMRUUWFGLGNQLI-QFIPXVFZSA-N,,,,,,,,,,,
100.069.305,276-259-0,71989-31-6,"1-(9H-fluoren-9-ylmethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate",1-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-proline,OC(=O)[C@@H]1CCCN1C(=O)OCC2c3ccccc3c4ccccc24,OC(=O)[C@@H]1CCCN1C(=O)OCC2c3ccccc3c4ccccc24,"InChI=1/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)",C20H19NO4,,,,,,ZPGDWQNBZYOZTI-SFHVURJKSA-N,,,,,,,,,,,
100.069.306,276-260-6,71989-33-8,O-(tert-butyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine,O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine,CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,"InChI=1/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)",C22H25NO5,,,,,,REITVGIIZHFVGU-IBGZPJMESA-N,,,,,,,,,,,
100.069.310,276-264-8,71989-90-7,N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine hydrochloride,1-cyano-3-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine hydrochloride,Cl.CN\\C(=N\\CCSCc1nc[nH]c1C)\\NC#N,Cl.CN\C(=N\CCSCc1nc[nH]c1C)\NC#N,"InChI=1/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H",C10H16N6S.xClH,,,,,,QJHCNBWLPSXHBL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.311,276-265-3,71989-91-8,(bicyclo[2.2.1]hept-5-en-2-yl)methyl 2-chloroacrylate,bicyclo[2.2.1]hept-5-en-2-ylmethyl 2-chloroacrylate,ClC(=C)C(=O)OCC1CC2CC1C=C2,ClC(=C)C(=O)OCC1CC2CC1C=C2,"InChI=1/C11H13ClO2/c1-7(12)11(13)14-6-10-5-8-2-3-9(10)4-8/h2-3,8-10H,1,4-6H2",C11H13ClO2,,,,,,PFQSCQIOIBUJSC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.312,276-266-9,71989-92-9,1-[3-(trifluoromethyl)phenyl]piperidin-4-ol,1-[3-(trifluoromethyl)phenyl]piperidin-4-ol,OC1CCN(CC1)c2cccc(c2)C(F)(F)F,OC1CCN(CC1)c2cccc(c2)C(F)(F)F,"InChI=1/C12H14F3NO/c13-12(14,15)9-2-1-3-10(8-9)16-6-4-11(17)5-7-16/h1-3,8,11,17H,4-7H2",C12H14F3NO,,,,,,CAEKNRWCZUHTDC-UHFFFAOYSA-N,,,,,,,,,,,
100.069.318,276-273-7,71989-99-6,"2-(2,3,4-trimethoxyphenyl)propionic acid","2-(2,3,4-trimethoxyphenyl)propanoic acid",COc1ccc(C(C)C(=O)O)c(OC)c1OC,COc1ccc(C(C)C(=O)O)c(OC)c1OC,"InChI=1/C12H16O5/c1-7(12(13)14)8-5-6-9(15-2)11(17-4)10(8)16-3/h5-7H,1-4H3,(H,13,14)",C12H16O5,,,,,,YAURVMGBGYEPTE-UHFFFAOYSA-N,,,,,,,,,,,
100.069.319,276-274-2,71990-01-7,(trifluoromethyl)benzoic acid,2-(trifluoromethyl)benzoic acid,OC(=O)c1ccccc1C(F)(F)F,OC(=O)c1ccccc1C(F)(F)F,"InChI=1/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)",C8H5F3O2,,,,,,FBRJYBGLCHWYOE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.136,298-096-4,93777-64-1,Tri(methyl)[a-methyl-10H-phenothiazin-10-ylethyl]ammonium toluene-p-sulphonate,"N,N,N-trimethyl-1-(1-methyl-10H-phenothiazin-10-yl)ethanaminium 4-methylbenzenesulfonate",CC(N1c2ccccc2Sc3cccc(C)c13)[N+](C)(C)C.Cc4ccc(cc4)S(=O)(=O)[O-],CC(N1c2ccccc2Sc3cccc(C)c13)[N+](C)(C)C.Cc4ccc(cc4)S(=O)(=O)[O-],"InChI=1/C18H23N2S.C7H8O3S/c1-13-9-8-12-17-18(13)19(14(2)20(3,4)5)15-10-6-7-11-16(15)21-17;1-6-2-4-7(5-3-6)11(8,9)10/h6-12,14H,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C18H23N2S.C7H7O3S,,,,,,XUHVHHPDKKRAAK-UHFFFAOYSA-M,,,,,,,,,,,
100.087.940,296-778-6,93045-02-4,"2,2'-ethylenedianilinium tetrahydrogen diphosphate","2,2'-ethane-1,2-diyldianilinium tetrahydrogen bis(phosphate)",[NH3+]c1ccccc1CCc2ccccc2[NH3+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],[NH3+]c1ccccc1CCc2ccccc2[NH3+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-],"InChI=1/C14H16N2.2H3O4P/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;2*1-5(2,3)4/h1-8H,9-10,15-16H2;2*(H3,1,2,3,4)/p-4",C14H16N2.2H3O4P,,,,,,SASQHISHEAYYRY-UHFFFAOYSA-J,,,,,,,,,,,
100.091.000,300-146-8,93923-58-1,1-[2-[(2-chlorophenyl)amino]ethyl]-4-methylpyridinium hydroxide,1-{2-[(2-chlorophenyl)amino]ethyl}-4-methylpyridinium hydroxide,[OH-].Cc1cc[n+](CCNc2ccccc2Cl)cc1,[OH-].Cc1cc[n+](CCNc2ccccc2Cl)cc1,"InChI=1/C14H16ClN2.H2O/c1-12-6-9-17(10-7-12)11-8-16-14-5-3-2-4-13(14)15;/h2-7,9-10,16H,8,11H2,1H3;1H2/q+1;/p-1",C14H16ClN2.HO,,,,,,WAYXPYXLWHUWBQ-UHFFFAOYSA-M,,,,,,,,,,,
100.091.004,300-151-5,93923-62-7,"Trihydrogen 3-[[4-[[4-chloro-6-[(3-phosphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(4-methoxy-3-sulphonatophenyl)phenazinium","5-({4-chloro-6-[(3-phosphonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-({8-[ethyl(3-sulfonatobenzyl)amino]-10-(4-methoxy-3-sulfonatophenyl)phenazin-10-ium-2-yl}amino)benzenesulfonate",CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(Nc7cccc(c7)P(=O)([O-])[O-])n6)cc5S(=O)(=O)[O-])cc4[n+](c8ccc(OC)c(c8)S(=O)(=O)[O-])c3c2,CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3nc4ccc(Nc5ccc(Nc6nc(Cl)nc(Nc7cccc(c7)P(=O)([O-])[O-])n6)cc5S(=O)(=O)[O-])cc4[n+](c8ccc(OC)c(c8)S(=O)(=O)[O-])c3c2,"InChI=1/C43H37ClN9O13PS3/c1-3-52(24-25-6-4-9-32(18-25)68(57,58)59)29-12-16-34-37(22-29)53(30-13-17-38(66-2)40(23-30)70(63,64)65)36-20-27(10-14-33(36)48-34)45-35-15-11-28(21-39(35)69(60,61)62)47-43-50-41(44)49-42(51-43)46-26-7-5-8-31(19-26)67(54,55)56/h4-23H,3,24H2,1-2H3,(H7,46,47,48,49,50,51,54,55,56,57,58,59,60,61,62,63,64,65)/p-4",C43H37ClN9O13PS3,,,,,,FXCLUQXCPUCBCZ-UHFFFAOYSA-J,,,,,,,,,,,
100.091.008,300-155-7,93923-67-2,"Decanoic acid, compound with (3-aminopropyl)dimethylammonium octanoate (1:1)","3-amino-N,N-dimethylpropan-1-aminium octanoate decanoic acid (1:1)",CCCCCCCCCC(=O)O.CCCCCCCC(=O)[O-].C[NH+](C)CCCN,CCCCCCCCCC(=O)O.CCCCCCCC(=O)[O-].C[NH+](C)CCCN,"InChI=1/C10H20O2.C8H16O2.C5H14N2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-7(2)5-3-4-6/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-6H2,1-2H3",C10H20O2.C8H16O2.C5H14N2,,,,,,XDDMZFRCQSAXIM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.012,300-159-9,93923-71-8,"Ethyldimethyl(1-methyl-3,3-diphenylpropyl)ammonium hydroxide","N-ethyl-N,N-dimethyl-4,4-diphenylbutan-2-aminium hydroxide",[OH-].CC[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2,[OH-].CC[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2,"InChI=1/C20H28N.H2O/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20H,5,16H2,1-4H3;1H2/q+1;/p-1",C20H28N.HO,,,,,,WAPAVSRTRXAIJR-UHFFFAOYSA-M,,,,,,,,,,,
100.091.014,300-162-5,93923-73-0,"N,N'-[ethane-1,2-diylbis[(acetylimino)ethane-1,2-diyl]]distearamide","N,N'-{ethane-1,2-diylbis[(acetylimino)ethane-2,1-diyl]}dioctadecanamide",CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C)C(=O)C,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C)C(=O)C,"InChI=1/C46H90N4O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(53)47-37-39-49(43(3)51)41-42-50(44(4)52)40-38-48-46(54)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-42H2,1-4H3,(H,47,53)(H,48,54)",C46H90N4O4,,,,,,IBHSIUGNTUUUFL-UHFFFAOYSA-N,,,,,,,,,,,
100.091.022,300-170-9,93923-81-0,"1-butyl-5-[[4-(2-chlorobenzoyl)-2-nitrophenyl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-butyl-5-{[4-(2-chlorobenzoyl)-2-nitrophenyl]diazenyl}-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",Clc1ccccc1C(=O)c3ccc(N=N/C2=C(\\O)N(CCCC)C(=O)C(/C#N)=C2/C)c(c3)[N+]([O-])=O,Clc1ccccc1C(=O)c3ccc(N=N/C2=C(\O)N(CCCC)C(=O)C(/C#N)=C2/C)c(c3)[N+]([O-])=O,"InChI=1/C24H20ClN5O5/c1-3-4-11-29-23(32)17(13-26)14(2)21(24(29)33)28-27-19-10-9-15(12-20(19)30(34)35)22(31)16-7-5-6-8-18(16)25/h5-10,12,33H,3-4,11H2,1-2H3",C24H20ClN5O5,,,,,,HFPXWJBBCFNLEG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.024,300-173-5,93923-83-2,"[5-hydroxy-3-(hydroxymethyl)pentyl] hydrogen cyclohexane-1,2-dicarboxylate",2-({[5-hydroxy-3-(hydroxymethyl)pentyl]oxy}carbonyl)cyclohexanecarboxylic acid,OCCC(CO)CCOC(=O)C1CCCCC1C(=O)O,OCCC(CO)CCOC(=O)C1CCCCC1C(=O)O,"InChI=1/C14H24O6/c15-7-5-10(9-16)6-8-20-14(19)12-4-2-1-3-11(12)13(17)18/h10-12,15-16H,1-9H2,(H,17,18)",C14H24O6,,,,,,QMAPLURXUAQAPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.036,302-386-9,94108-46-0,1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid,1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid,CN(C)CCCN1CC(CC1=O)C(=O)O,CN(C)CCCN1CC(CC1=O)C(=O)O,"InChI=1/C10H18N2O3/c1-11(2)4-3-5-12-7-8(10(14)15)6-9(12)13/h8H,3-7H2,1-2H3,(H,14,15)",C10H18N2O3,,,,,,MUPFIGLSLOVQLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.087.787,296-610-1,92870-36-5,"1-benzyl-5,5-diethylbarbituric acid","1-benzyl-5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(CC)C(=O)NC(=O)N(Cc2ccccc2)C1=O,CCC1(CC)C(=O)NC(=O)N(Cc2ccccc2)C1=O,"InChI=1/C15H18N2O3/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,20)",C15H18N2O3,,,,,,YSCCFYUEQXOKHY-UHFFFAOYSA-N,,,,,,,,,,,
100.087.811,296-636-3,92888-37-4,(2-hydroxyethyl)methylbis[2-[(1-oxooctadec-9-enyl)amino]ethyl]ammonium methyl sulphate,"2-hydroxy-N-methyl-N,N-bis[2-(oleoylamino)ethyl]ethanaminium methyl sulfate",OCC[N+](C)(CCNC(=O)CCCCCCCC=CCCCCCCCC)CCNC(=O)CCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OC,OCC[N+](C)(CCNC(=O)CCCCCCCC=CCCCCCCCC)CCNC(=O)CCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OC,"InChI=1/C43H83N3O3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(48)44-36-38-46(3,40-41-47)39-37-45-43(49)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,47H,4-17,22-41H2,1-3H3,(H-,44,45,48,49);1H3,(H,2,3,4)",C43H84N3O3.CH3O4S,,,,,,CRNOHKQARKZYBD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.887,300-022-3,93919-37-0,"2,4,5-tri-O-tetradecyl-D-glucitol","2,4,5-tri-O-tetradecyl-D-glucitol",CCCCCCCCCCCCCCO[C@@H](CO)[C@@H](O)[C@H](OCCCCCCCCCCCCCC)[C@@H](CO)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCO[C@@H](CO)[C@@H](O)[C@H](OCCCCCCCCCCCCCC)[C@@H](CO)OCCCCCCCCCCCCCC,"InChI=1/C48H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-52-45(43-49)47(51)48(54-42-39-36-33-30-27-24-21-18-15-12-9-6-3)46(44-50)53-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45-51H,4-44H2,1-3H3",C48H98O6,,,,,,FMWGXHAYSHONFH-AVNIMNHSSA-N,,,,,,,,,,,
100.090.899,300-035-4,93919-52-9,"N-[4-[2,4-bis(tert-butyl)phenoxy]butyl]-2-[2-hydroxy-3,4,6-trimethyl-5-[(phenylsulphonyl)amino]phenyl]acetamide","N-[4-(2,4-di-tert-butylphenoxy)butyl]-2-{2-hydroxy-3,4,6-trimethyl-5-[(phenylsulfonyl)amino]phenyl}acetamide",Cc1c(C)c(NS(=O)(=O)c2ccccc2)c(C)c(CC(=O)NCCCCOc3ccc(cc3C(C)(C)C)C(C)(C)C)c1O,Cc1c(C)c(NS(=O)(=O)c2ccccc2)c(C)c(CC(=O)NCCCCOc3ccc(cc3C(C)(C)C)C(C)(C)C)c1O,"InChI=1/C35H48N2O5S/c1-23-24(2)33(39)28(25(3)32(23)37-43(40,41)27-15-11-10-12-16-27)22-31(38)36-19-13-14-20-42-30-18-17-26(34(4,5)6)21-29(30)35(7,8)9/h10-12,15-18,21,37,39H,13-14,19-20,22H2,1-9H3,(H,36,38)",C37H52N2O5S,,,,,,VNZJJOWHMXUFKW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.900,300-037-5,93919-53-0,N-[4-[[2-[3-(tert-butyl)-4-hydroxyphenoxy]-1-oxotetradecyl]amino]-5-chloro-2-hydroxyphenyl]-4-chlorobenzamide,N-(4-{[2-(3-tert-butyl-4-hydroxyphenoxy)tetradecanoyl]amino}-5-chloro-2-hydroxyphenyl)-4-chlorobenzamide,CCCCCCCCCCCCC(Oc1ccc(O)c(c1)C(C)(C)C)C(=O)Nc2cc(O)c(NC(=O)c3ccc(Cl)cc3)cc2Cl,CCCCCCCCCCCCC(Oc1ccc(O)c(c1)C(C)(C)C)C(=O)Nc2cc(O)c(NC(=O)c3ccc(Cl)cc3)cc2Cl,"InChI=1/C37H48Cl2N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-34(46-27-20-21-32(42)28(22-27)37(2,3)4)36(45)40-30-24-33(43)31(23-29(30)39)41-35(44)25-16-18-26(38)19-17-25/h16-24,34,42-43H,5-15H2,1-4H3,(H,40,45)(H,41,44)",C37H48Cl2N2O5,,,,,,JXFUTXLMVKIKSG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.902,300-039-6,93919-55-2,7-methyl-4-quinolone,7-methylquinolin-4(1H)-one,Cc1ccc2C(=O)C=CNc2c1,Cc1ccc2C(=O)C=CNc2c1,"InChI=1/C10H9NO/c1-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)",C10H9NO,,,,,,JPVTWKDGBWUNBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.903,300-040-1,93919-56-3,4-(trifluoromethoxy)benzylamine,1-[4-(trifluoromethoxy)phenyl]methanamine,NCc1ccc(OC(F)(F)F)cc1,NCc1ccc(OC(F)(F)F)cc1,"InChI=1/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2",C8H8F3NO,,,,,,DBGROTRFYBSUTR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.904,300-041-7,93919-57-4,8-(trifluoromethyl)quinolin-4(1H)-one,8-(trifluoromethyl)quinolin-4(1H)-one,FC(F)(F)c1cccc2C(=O)C=CNc12,FC(F)(F)c1cccc2C(=O)C=CNc12,"InChI=1/C10H6F3NO/c11-10(12,13)7-3-1-2-6-8(15)4-5-14-9(6)7/h1-5H,(H,14,15)",C10H6F3NO,,,,,,UDRWADJLLWWJOE-UHFFFAOYSA-N,,,,,,,,,,,
100.090.908,300-045-9,93919-61-0,"Phosphoric acid, methyl ester, compd. with 2-aminoethanol",methyl dihydrogen phosphate - 2-aminoethanol (1:1),COP(=O)(O)O.NCCO,COP(=O)(O)O.NCCO,"InChI=1/C2H7NO.CH5O4P/c3-1-2-4;1-5-6(2,3)4/h4H,1-3H2;1H3,(H2,2,3,4)",-,,,,,,LIIQRNZROPGJAM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.918,300-056-9,93919-73-4,"Octaammonium dihydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",octaammonium dihydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.8H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);8*1H3/p-2",C9H28N3O15P5.8H3N,,,,,,XQJVYLNYCNKXPO-UHFFFAOYSA-L,,,,,,,,,,,
100.092.656,301-969-5,94087-75-9,"5-decylpyrimidine-2,4,6-triamine","5-decylpyrimidine-2,4,6-triamine",CCCCCCCCCCc1c(N)nc(N)nc1N,CCCCCCCCCCc1c(N)nc(N)nc1N,"InChI=1/C14H27N5/c1-2-3-4-5-6-7-8-9-10-11-12(15)18-14(17)19-13(11)16/h2-10H2,1H3,(H6,15,16,17,18,19)",C14H27N5,,,,,,XQXHRYUWXYVBJH-UHFFFAOYSA-N,,,,,,,,,,,
100.088.144,297-002-9,93205-89-1,1-[4-(2-methoxyethyl)phenyl]ethan-1-one,1-[4-(2-methoxyethyl)phenyl]ethanone,COCCc1ccc(cc1)C(=O)C,COCCc1ccc(cc1)C(=O)C,"InChI=1/C11H14O2/c1-9(12)11-5-3-10(4-6-11)7-8-13-2/h3-6H,7-8H2,1-2H3",C11H14O2,,,,,,YJCWZCFEJYVSDU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.203,301-469-7,94021-78-0,3-cyclohexylpropyl isobutyrate,3-cyclohexylpropyl 2-methylpropanoate,CC(C)C(=O)OCCCC1CCCCC1,CC(C)C(=O)OCCCC1CCCCC1,"InChI=1/C13H24O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3",C13H24O2,,,,,,ZRPKJDKIHVQROS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.204,301-470-2,94021-79-1,"3,5,5-trimethylcyclohexyl propionate","3,3,5-trimethylcyclohexyl propionate",CCC(=O)OC1CC(C)CC(C)(C)C1,CCC(=O)OC1CC(C)CC(C)(C)C1,"InChI=1/C12H22O2/c1-5-11(13)14-10-6-9(2)7-12(3,4)8-10/h9-10H,5-8H2,1-4H3",C12H22O2,,,,,,YVDQNZNDUJCCJU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.209,301-476-5,94021-84-8,Isobutyl cyclohexylpropionate,isobutyl 2-cyclohexylpropanoate,CC(C)COC(=O)C(C)C1CCCCC1,CC(C)COC(=O)C(C)C1CCCCC1,"InChI=1/C13H24O2/c1-10(2)9-15-13(14)11(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3",C13H24O2,,,,,,HTPZPEAQIBEMKD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.212,301-479-1,94021-87-1,"Dodecyl 4-chloro-3,5-dinitrobenzoate","dodecyl 4-chloro-3,5-dinitrobenzoate",CCCCCCCCCCCCOC(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],CCCCCCCCCCCCOC(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C19H27ClN2O6/c1-2-3-4-5-6-7-8-9-10-11-12-28-19(23)15-13-16(21(24)25)18(20)17(14-15)22(26)27/h13-14H,2-12H2,1H3",C19H27ClN2O6,,,,,,NKXANKOKHSNAJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.226,301-494-3,94022-02-3,"cis-3,4,4a,5,8,8a-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran","3,3,6,7-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-isochromene",CC1=C(C)C[C@@H]2CC(C)(C)OC[C@@H]2C1,CC1=C(C)C[C@@H]2CC(C)(C)OC[C@@H]2C1,"InChI=1/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h11-12H,5-8H2,1-4H3",C13H22O,,,,,,RZLXGTKIGFFSMN-NEPJUHHUSA-N,,,,,,,,,,,
100.092.228,301-496-4,94022-04-5,2-butoxy-2-oxoethyl butyrate,2-butoxy-2-oxoethyl butyrate,CCCCOC(=O)COC(=O)CCC,CCCCOC(=O)COC(=O)CCC,"InChI=1/C10H18O4/c1-3-5-7-13-10(12)8-14-9(11)6-4-2/h3-8H2,1-2H3",C10H18O4,,,,,,HPIYZRUOQOGMEY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.230,301-499-0,94022-06-7,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl phenylacetate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl phenylacetate",CC1(C)C2CCC1(C)C(C2)OC(=O)Cc3ccccc3,CC1(C)C2CCC1(C)C(C2)OC(=O)Cc3ccccc3,"InChI=1/C18H24O2/c1-17(2)14-9-10-18(17,3)15(12-14)20-16(19)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3",C18H24O2,,,,,,OVTUPLGIFCUERT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.232,301-502-5,94022-08-9,Ethyl 3-hexyloxirane-2-carboxylate,ethyl 3-hexyloxirane-2-carboxylate,CCCCCCC1OC1C(=O)OCC,CCCCCCC1OC1C(=O)OCC,"InChI=1/C11H20O3/c1-3-5-6-7-8-9-10(14-9)11(12)13-4-2/h9-10H,3-8H2,1-2H3",C11H20O3,,,,,,QJEOLQOGDDAAIR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.479,300-672-8,93951-52-1,Butylpropylthiazole,"2-(1-ethylpentyl)-1,3-thiazole",CCCCC(CC)c1nccs1,CCCCC(CC)c1nccs1,"InChI=1/C10H17NS/c1-3-5-6-9(4-2)10-11-7-8-12-10/h7-9H,3-6H2,1-2H3",C10H17NS,,,,,,MMSRORBQJOQTSD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.754,302-076-3,94088-74-1,"3',5'-dimethoxybenzanilide","N-(3,5-dimethoxyphenyl)benzamide",COc1cc(NC(=O)c2ccccc2)cc(OC)c1,COc1cc(NC(=O)c2ccccc2)cc(OC)c1,"InChI=1/C15H15NO3/c1-18-13-8-12(9-14(10-13)19-2)16-15(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17)",C15H15NO3,,,,,,CMAKZYKJFVSLBM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.759,302-082-6,94088-79-6,Tris(2-hydroxyethyl)[2-(stearoylamino)ethyl]ammonium nitrate,"2-hydroxy-N,N-bis(2-hydroxyethyl)-N-[2-(stearoylamino)ethyl]ethanaminium nitrate",CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CCO)(CCO)CCO.[O-][N+](=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CCO)(CCO)CCO.[O-][N+](=O)[O-],"InChI=1/C26H54N2O4.NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)27-18-19-28(20-23-29,21-24-30)22-25-31;2-1(3)4/h29-31H,2-25H2,1H3;/q;-1/p+1",C26H55N2O4.NO3,,,,,,USKOGPJBMRKHDD-UHFFFAOYSA-O,,,,,,,,,,,
100.092.760,302-083-1,94088-80-9,"Trimethyl-3-[[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulphonyl]amino]propylammonium iodide","N,N,N-trimethyl-3-{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}propan-1-aminium iodide",[I-].C[N+](C)(C)CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[I-].C[N+](C)(C)CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H20F13N2O2S.HI/c1-29(2,3)7-4-6-28-32(30,31)8-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;/h28H,4-8H2,1-3H3;1H/q+1;/p-1",C14H20F13N2O2S.I,,,,,,VZOYHPPUGXMIFV-UHFFFAOYSA-M,,,,,,,,,,,
100.091.251,300-422-8,93940-28-4,"3,4,5,6,7,8-hexahydro-5,5,8,8-tetramethylanthracen-1(2H)-one","5,5,8,8-tetramethyl-3,4,5,6,7,8-hexahydroanthracen-1(2H)-one",CC1(C)CCC(C)(C)c2cc3C(=O)CCCc3cc12,CC1(C)CCC(C)(C)c2cc3C(=O)CCCc3cc12,"InChI=1/C18H24O/c1-17(2)8-9-18(3,4)15-11-13-12(10-14(15)17)6-5-7-16(13)19/h10-11H,5-9H2,1-4H3",C18H24O,,,,,,TUWBVBYVXBXGFD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.252,300-423-3,93940-29-5,Ethyl 2-[[2-[(2-ethylhexyl)oxy]ethylidene]amino]benzoate,ethyl 2-({2-[(2-ethylhexyl)oxy]ethylidene}amino)benzoate,CCOC(=O)c1ccccc1N=CCOCC(CC)CCCC,CCOC(=O)c1ccccc1N=CCOCC(CC)CCCC,"InChI=1/C19H29NO3/c1-4-7-10-16(5-2)15-22-14-13-20-18-12-9-8-11-17(18)19(21)23-6-3/h8-9,11-13,16H,4-7,10,14-15H2,1-3H3",C19H29NO3,,,,,,CEAWCPLOWUCLGI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.326,276-282-6,72007-81-9,1-ethyl-1-methyl-3-phenylpropyl acetate,1-ethyl-1-methyl-3-phenylpropyl acetate,CCC(C)(CCc1ccccc1)OC(=O)C,CCC(C)(CCc1ccccc1)OC(=O)C,"InChI=1/C14H20O2/c1-4-14(3,16-12(2)15)11-10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3",C14H20O2,,,,,,HIWRBTFSEFIZNE-UHFFFAOYSA-N,,,,,,,,,,,
100.064.929,271-443-7,68555-66-8,"Sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphinate","sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfinate",[Na+].[O-]S(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Na+].[O-]S(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C7HF15O2S.Na/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)25(23)24;/h(H,23,24);/q;+1/p-1",C7HF15O2S.Na,,,,,,OEIUCKZRGRKVRL-UHFFFAOYSA-M,,,,,,,,,,,
100.064.936,271-451-0,68555-73-7,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulphonamide","N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulfonamide",CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H10F15NO3S/c1-2-27(3-4-28)31(29,30)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h28H,2-4H2,1H3",C11H10F15NO3S,,,,,,HINASMOVWHGCAK-UHFFFAOYSA-N,,,,,,,,,,,
100.064.944,271-459-4,68555-81-7,Trimethyl-3-[[(pentadecafluoroheptyl)sulphonyl]amino]propylammonium chloride,"N,N,N-trimethyl-3-{[(pentadecafluoroheptyl)sulfonyl]amino}propan-1-aminium chloride",[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H16F15N2O2S.ClH/c1-30(2,3)6-4-5-29-33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26;/h29H,4-6H2,1-3H3;1H/q+1;/p-1",C13H16F15N2O2S.Cl,,,,,,DEWPQMPVQKTNFF-UHFFFAOYSA-M,,,,,,,,,,,
100.064.948,271-464-1,68555-95-3,Trimethylcyclohexene,"1,2,3-trimethylcyclohexene",CC1CCCC(=C1C)C,CC1CCCC(=C1C)C,"InChI=1/C9H16/c1-7-5-4-6-8(2)9(7)3/h7H,4-6H2,1-3H3",C9H16,,,,,,WCXPIAKENXAPPI-UHFFFAOYSA-N,,,,,,,,,,,
100.064.963,271-480-9,68556-21-8,Methyl 2-(ethylideneamino)benzoate,methyl 2-(ethylideneamino)benzoate,CC=Nc1ccccc1C(=O)OC,CC=Nc1ccccc1C(=O)OC,"InChI=1/C10H11NO2/c1-3-11-9-7-5-4-6-8(9)10(12)13-2/h3-7H,1-2H3",C10H11NO2,,,,,,CARKMBGHKLICNI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.462,268-728-3,68134-12-3,"N,N',N'',N'''-[carbonylbis(nitrilodiethylene)]tetrastearamide diacetate",N-[2-({bis[2-(stearoylamino)ethyl]carbamoyl}[2-(stearoylamino)ethyl]amino)ethyl]octadecanamide diacetate (non-preferred name),CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O,"InChI=1/C81H160N6O5.2C2H4O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77(88)82-69-73-86(74-70-83-78(89)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)81(92)87(75-71-84-79(90)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-72-85-80(91)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;2*1-2(3)4/h5-76H2,1-4H3,(H,82,88)(H,83,89)(H,84,90)(H,85,91);2*1H3,(H,3,4)",C81H160N6O5.2C2H4O2,,,,,,FKNWTGBZBBKQNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.463,268-729-9,68134-13-4,[2-[(2-hydroxyethyl)ammonio]ethyl](stearoyl)ammonium hydrogen phosphate,"N-(2-hydroxyethyl)-N'-stearoylethane-1,2-diaminium hydrogen phosphate",CCCCCCCCCCCCCCCCCC(=O)[NH2+]CC[NH2+]CCO.[O-]P(=O)([O-])[O-],CCCCCCCCCCCCCCCCCC(=O)[NH2+]CC[NH2+]CCO.[O-]P(=O)([O-])[O-],"InChI=1/C22H46N2O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-5(2,3)4/h23,25H,2-21H2,1H3,(H,24,26);(H3,1,2,3,4)/p-1",C22H46N2O2.H3O4P,,,,,,NTVVCDJPDCRVGD-UHFFFAOYSA-M,,,,,,,,,,,
100.062.466,268-733-0,68134-20-3,"4-amino-6-[(2-chloro-4-nitrophenyl)azo]-5-hydroxy-3-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulphophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]naphthalene-2,7-disulphonic acid","4-amino-6-[(2-chloro-4-nitrophenyl)diazenyl]-5-hydroxy-3-[(2-hydroxy-4-{[3-hydroxy-4-({4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazenyl)phenyl]amino}phenyl)diazenyl]naphthalene-2,7-disulfonic acid",[O-][N+](=O)c7ccc(Nc1ccc(cc1)N=Nc2ccc(cc2O)Nc6ccc(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3Cl)[N+]([O-])=O)c(O)c4c5N)S(O)(=O)=O)S(O)(=O)=O)c(O)c6)c(c7)S(O)(=O)=O,[O-][N+](=O)c7ccc(Nc1ccc(cc1)N=Nc2ccc(cc2O)Nc6ccc(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3Cl)[N+]([O-])=O)c(O)c4c5N)S(O)(=O)=O)S(O)(=O)=O)c(O)c6)c(c7)S(O)(=O)=O,"InChI=1/C40H28ClN11O16S3/c41-26-17-24(51(56)57)7-11-27(26)46-50-39-35(71(66,67)68)14-19-13-34(70(63,64)65)38(37(42)36(19)40(39)55)49-48-29-10-6-23(16-32(29)54)43-22-5-9-28(31(53)15-22)47-45-21-3-1-20(2-4-21)44-30-12-8-25(52(58)59)18-33(30)69(60,61)62/h1-18,43-44,53-55H,42H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)",C40H28ClN11O16S3,,,,,,ZZHHEPKITYCYPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.468,268-735-1,68134-23-6,Butyl 2-oxocyclohexanepropionate,butyl 3-(2-oxocyclohexyl)propanoate,CCCCOC(=O)CCC1CCCCC1=O,CCCCOC(=O)CCC1CCCCC1=O,"InChI=1/C13H22O3/c1-2-3-10-16-13(15)9-8-11-6-4-5-7-12(11)14/h11H,2-10H2,1H3",C13H22O3,,,,,,AISJENNWEMLKIH-UHFFFAOYSA-N,,,,,,,,,,,
100.062.483,268-751-9,68134-39-4,N-[2-[(2-cyano-6-iodo-4-nitrophenyl)azo]-5-(dimethylamino)phenyl]propionamide,N-{2-[(2-cyano-6-iodo-4-nitrophenyl)diazenyl]-5-(dimethylamino)phenyl}propanamide,[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(=O)CC)N(C)C)c(I)c2,[O-][N+](=O)c2cc(C#N)c(N=Nc1ccc(cc1NC(=O)CC)N(C)C)c(I)c2,"InChI=1/C18H17IN6O3/c1-4-17(26)21-16-9-12(24(2)3)5-6-15(16)22-23-18-11(10-20)7-13(25(27)28)8-14(18)19/h5-9H,4H2,1-3H3,(H,21,26)",C18H17IN6O3,,,,,,WPPWYKPFBBRQQI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.045,302-396-3,94108-55-1,4'-(trifluoromethoxy)propiophenone,1-[4-(trifluoromethoxy)phenyl]propan-1-one,CCC(=O)c1ccc(OC(F)(F)F)cc1,CCC(=O)c1ccc(OC(F)(F)F)cc1,"InChI=1/C10H9F3O2/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6H,2H2,1H3",C10H9F3O2,,,,,,OIEBTEWPPOJOGI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.053,302-406-6,94108-66-4,"1-benzyl-2-henicosyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium chloride","1-benzyl-2-henicosyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc2ccccc2,[Cl-].CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc2ccccc2,"InChI=1/C33H59N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33-34-27-28-35(33,29-30-36)31-32-24-21-20-22-25-32;/h20-22,24-25,36H,2-19,23,26-31H2,1H3;1H/q+1;/p-1",C33H59N2O.Cl,,,,,,YVEGUVHIATZFPU-UHFFFAOYSA-M,,,,,,,,,,,
100.093.055,302-408-7,94108-69-7,"Sodium (Z)-3-[2-[2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazol-1-yl]ethoxy]propionate","sodium 3-[2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoate",[Na+].CCCCCCCC\\C=C/CCCCCCCC1=NCCN1CCOCCC(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCOCCC(=O)[O-],"InChI=1/C25H46N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29;/h9-10H,2-8,11-23H2,1H3,(H,28,29);/q;+1/p-1",C25H46N2O3.Na,,,,,,JTTGPWBSDIKCQU-KVVVOXFISA-M,,,,,,,,,,,
100.093.059,302-412-9,94108-74-4,"Bis[2-[2-(decyloxy)ethoxy]ethyl] hydrogen phosphate, compound with dodecane-1,12-diamine (2:1)","bis{2-[2-(decyloxy)ethoxy]ethyl} hydrogen phosphate - dodecane-1,12-diamine (2:1)",CCCCCCCCCCOCCOCCOP(=O)(O)OCCOCCOCCCCCCCCCC.CCCCCCCCCCOCCOCCOP(=O)(O)OCCOCCOCCCCCCCCCC.NCCCCCCCCCCCCN,CCCCCCCCCCOCCOCCOP(=O)(O)OCCOCCOCCCCCCCCCC.CCCCCCCCCCOCCOCCOP(=O)(O)OCCOCCOCCCCCCCCCC.NCCCCCCCCCCCCN,"InChI=1/2C28H59O8P.C12H28N2/c2*1-3-5-7-9-11-13-15-17-19-31-21-23-33-25-27-35-37(29,30)36-28-26-34-24-22-32-20-18-16-14-12-10-8-6-4-2;13-11-9-7-5-3-1-2-4-6-8-10-12-14/h2*3-28H2,1-2H3,(H,29,30);1-14H2",C28H59O8P.1/2C12H28N2,,,,,,QRNJFSUMKAVHJB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.064,302-418-1,94108-81-3,"3-[4,5-dihydro-4-[(2-methoxy-p-tolyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide","3-{4-[(2-methoxy-4-methylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonamide",NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccc(C)cc2OC)C3=O,NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccc(C)cc2OC)C3=O,"InChI=1/C18H19N5O4S/c1-11-7-8-15(16(9-11)27-3)20-21-17-12(2)22-23(18(17)24)13-5-4-6-14(10-13)28(19,25)26/h4-10,17H,1-3H3,(H2,19,25,26)",C18H19N5O4S,,,,,,WGIUGLIAGCYZFY-UHFFFAOYSA-N,,,,,,,,,,,
100.093.069,302-423-9,94108-87-9,"(2-hydroxyethyl)ammonium 3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propionate","2-hydroxyethanaminium 3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoate",CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-].[NH3+]CCO,CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-].[NH3+]CCO,"InChI=1/C25H48N2O3.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29;3-1-2-4/h2-23H2,1H3,(H,28,29);4H,1-3H2",C25H48N2O3.C2H7NO,,,,,,GRVBVJGBFCOGMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.141,298-103-0,93777-69-6,Bis(2-hydroxyethyl)ammonium bis(2-hydroxyhexadecyl) phosphate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium bis(2-hydroxyhexadecyl) phosphate,CCCCCCCCCCCCCCC(O)COP(=O)([O-])OCC(O)CCCCCCCCCCCCCC.OCC[NH2+]CCO,CCCCCCCCCCCCCCC(O)COP(=O)([O-])OCC(O)CCCCCCCCCCCCCC.OCC[NH2+]CCO,"InChI=1/C32H67O6P.C4H11NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(33)29-37-39(35,36)38-30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2;6-3-1-5-2-4-7/h31-34H,3-30H2,1-2H3,(H,35,36);5-7H,1-4H2",C32H67O6P.C4H11NO2,,,,,,CWUXVXMKHQNAOH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.142,298-104-6,93777-70-9,2-hexyldecyl octanoate,2-hexyldecyl octanoate,CCCCCCCCC(CCCCCC)COC(=O)CCCCCCC,CCCCCCCCC(CCCCCC)COC(=O)CCCCCCC,"InChI=1/C24H48O2/c1-4-7-10-13-15-17-20-23(19-16-12-9-6-3)22-26-24(25)21-18-14-11-8-5-2/h23H,4-22H2,1-3H3",C24H48O2,,,,,,NNHMAUVBQAHWPH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.152,298-115-6,93777-82-3,"4-[[(dimethylamino)carbonyl]amino]-N,N,N-trimethylanilinium methyl sulphate","4-[(dimethylcarbamoyl)amino]-N,N,N-trimethylanilinium methyl sulfate",COS(=O)(=O)[O-].CN(C)C(=O)Nc1ccc(cc1)[N+](C)(C)C,COS(=O)(=O)[O-].CN(C)C(=O)Nc1ccc(cc1)[N+](C)(C)C,"InChI=1/C12H19N3O.CH4O4S/c1-14(2)12(16)13-10-6-8-11(9-7-10)15(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)",C12H20N3O.CH3O4S,,,,,,RXGFGENDRAXFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.153,298-116-1,93777-84-5,"4-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-N,N,N-trimethylanilinium methyl sulphate","4-{[(3,4-dichlorophenyl)carbamoyl]amino}-N,N,N-trimethylanilinium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,COS(=O)(=O)[O-].C[N+](C)(C)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,"InChI=1/C16H17Cl2N3O.CH4O4S/c1-21(2,3)13-7-4-11(5-8-13)19-16(22)20-12-6-9-14(17)15(18)10-12;1-5-6(2,3)4/h4-10H,1-3H3,(H-,19,20,22);1H3,(H,2,3,4)",C16H18Cl2N3O.CH3O4S,,,,,,WXQQPYXFJSTNRG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.156,298-119-8,93777-88-9,2-hexadecylicosyl oleate,2-hexadecylicosyl octadec-9-enoate,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C54H106O2/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53(49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)52-56-54(55)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,53H,4-25,27-28,30-52H2,1-3H3",C54H106O2,,,,,,JRXHSDMMMFZNFC-WCTVFOPTSA-N,,,,,,,,,,,
100.092.661,301-974-2,94087-80-6,"5-hexadecylpyrimidine-2,4,6-triamine","5-hexadecylpyrimidine-2,4,6-triamine",CCCCCCCCCCCCCCCCc1c(N)nc(N)nc1N,CCCCCCCCCCCCCCCCc1c(N)nc(N)nc1N,"InChI=1/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)24-20(23)25-19(17)22/h2-16H2,1H3,(H6,21,22,23,24,25)",C20H39N5,,,,,,GQBIKMHPZBVLEE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.663,301-976-3,94087-82-8,"(Z)-5-(9-octadecenyl)pyrimidine-2,4,6-triamine","5-octadec-9-en-1-ylpyrimidine-2,4,6-triamine",CCCCCCCC\\C=C/CCCCCCCCc1c(N)nc(N)nc1N,CCCCCCCC\C=C/CCCCCCCCc1c(N)nc(N)nc1N,"InChI=1/C22H41N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)26-22(25)27-21(19)24/h9-10H,2-8,11-18H2,1H3,(H6,23,24,25,26,27)",C22H41N5,,,,,,ANCABTZYMUVLBC-KTKRTIGZSA-N,,,,,,,,,,,
100.092.664,301-977-9,94087-83-9,4-methoxy-2-methylbutane-2-thiol,4-methoxy-2-methylbutane-2-thiol,COCCC(C)(C)S,COCCC(C)(C)S,"InChI=1/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3",C6H14OS,,,,,,XVHGKKGBUDMTIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.666,301-980-5,94087-85-1,(Z)-9-(1-ethoxyethoxy)non-3-ene,9-(1-ethoxyethoxy)non-3-ene,CCOC(C)OCCCCC\\C=C/CC,CCOC(C)OCCCCC\C=C/CC,"InChI=1/C13H26O2/c1-4-6-7-8-9-10-11-12-15-13(3)14-5-2/h6-7,13H,4-5,8-12H2,1-3H3",C13H26O2,,,,,,WXLNULLOJQRELU-SREVYHEPSA-N,,,,,,,,,,,
100.092.667,301-981-0,94087-86-2,"(2E,4E)-undeca-2,4-dienol","undeca-2,4-dien-1-ol",CCCCCC\\C=C\\C=C\\CO,CCCCCC\C=C\C=C\CO,"InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-10,12H,2-6,11H2,1H3",C11H20O,,,,,,FVKXLSPKNRZPJK-XBLVEGMJSA-N,,,,,,,,,,,
100.092.670,301-984-7,94087-89-5,Calcium bis[D-galacturonate],"calcium bis(2,3,4,5-tetrahydroxy-6-oxohexanoate) (non-preferred name)",[Ca+2].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],[Ca+2].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],"InChI=1/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2",C6H10O7.1/2Ca,,,,,,ILJIJWPWFKABMW-PDCYBDDKSA-L,,,,,,,,,,,
100.092.673,301-987-3,94087-92-0,Bis(oxiranylmethyl) p-phenylenebiscarbamate,"bis(oxiran-2-ylmethyl) 1,4-phenylenebiscarbamate",O=C(Nc1ccc(NC(=O)OCC2CO2)cc1)OCC3CO3,O=C(Nc1ccc(NC(=O)OCC2CO2)cc1)OCC3CO3,"InChI=1/C14H16N2O6/c17-13(21-7-11-5-19-11)15-9-1-2-10(4-3-9)16-14(18)22-8-12-6-20-12/h1-4,11-12H,5-8H2,(H,15,17)(H,16,18)",C14H16N2O6,,,,,,GZOVIASQAALYNB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.680,301-995-7,94087-99-7,"6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-isonicotinate","6,9-difluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl isonicotinate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccncc5,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccncc5,"InChI=1/C28H31F2NO6/c1-15-10-18-19-12-21(29)20-11-17(32)4-7-25(20,2)27(19,30)22(33)13-26(18,3)28(15,36)23(34)14-37-24(35)16-5-8-31-9-6-16/h4-9,11,15,18-19,21-22,33,36H,10,12-14H2,1-3H3",C28H31F2NO6,,,,,,HBLWCWSTOFNBPO-STSYBKACSA-N,,,,,,,,,,,
100.092.683,301-998-3,94088-02-5,"N-[2-[[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)acetyl]thio]-1-oxopropyl]glycine","N-(2-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]sulfanyl}propanoyl)glycine",CC(SC(=O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12)C(=O)NCC(=O)O,CC(SC(=O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12)C(=O)NCC(=O)O,"InChI=1/C14H17N5O6S/c1-7(12(23)15-4-8(20)21)26-9(22)5-19-6-16-11-10(19)13(24)18(3)14(25)17(11)2/h6-7H,4-5H2,1-3H3,(H,15,23)(H,20,21)",C14H17N5O6S,,,,,,ALIAQOABEFSRDU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.695,302-011-9,94088-14-9,(Z)-non-6-en-1-yn-4-ol,non-6-en-1-yn-4-ol,CC\\C=C/CC(O)CC#C,CC\C=C/CC(O)CC#C,"InChI=1/C9H14O/c1-3-5-6-8-9(10)7-4-2/h2,5-6,9-10H,3,7-8H2,1H3",C9H14O,,,,,,OIFYSZMLZFEIRM-WAYWQWQTSA-N,,,,,,,,,,,
100.092.696,302-012-4,94088-15-0,"ß-D-glucopyranuronic acid, compound with 2,2'-iminodiethanol (1:1)","2,2'-iminodiethanol - beta-D-glucopyranuronic acid (1:1)",OCCNCCO.O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O,OCCNCCO.O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O,"InChI=1/C6H10O7.C4H11NO2/c7-1-2(8)4(5(10)11)13-6(12)3(1)9;6-3-1-5-2-4-7/h1-4,6-9,12H,(H,10,11);5-7H,1-4H2",C6H10O7.C4H11NO2,,,,,,GTUOTJRKYVNWGI-YXUDEUAMSA-N,,,,,,,,,,,
100.092.697,302-014-5,94088-16-1,"2,2'-methylenebis[5-bromo-5-nitro-1,3-dioxane]","2,2'-methylenebis(5-bromo-5-nitro-1,3-dioxane)",[O-][N+](=O)C1(Br)COC(CC2OCC(Br)(CO2)[N+](=O)[O-])OC1,[O-][N+](=O)C1(Br)COC(CC2OCC(Br)(CO2)[N+](=O)[O-])OC1,"InChI=1/C9H12Br2N2O8/c10-8(12(14)15)2-18-6(19-3-8)1-7-20-4-9(11,5-21-7)13(16)17/h6-7H,1-5H2",C9H12Br2N2O8,,,,,,IKKTUSZWZQTPMM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.699,302-016-6,94088-18-3,Calcium bis(2-methoxyphenolate),calcium bis(2-methoxyphenolate),[Ca+2].COc1ccccc1[O-].COc2ccccc2[O-],[Ca+2].COc1ccccc1[O-].COc2ccccc2[O-],"InChI=1/2C7H8O2.Ca/c2*1-9-7-5-3-2-4-6(7)8;/h2*2-5,8H,1H3;/q;;+2/p-2",C7H8O2.1/2Ca,,,,,,XCAYHQZOICITNW-UHFFFAOYSA-L,,,,,,,,,,,
100.087.844,296-673-5,92952-73-3,6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium acetate,6-chloro-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-methylbenzo[cd]indolium acetate,CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34.CC(=O)[O-],CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34.CC(=O)[O-],"InChI=1/C22H22ClN2O.C2H4O2/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(3)4/h4-12,26H,3,13-14H2,1-2H3;1H3,(H,3,4)/q+1;/p-1",C22H22ClN2O.C2H3O2,,,,,,GIAXHZDAQMKKKP-UHFFFAOYSA-M,,,,,,,,,,,
100.091.257,300-429-6,93940-34-2,"6-[(tert-butyl)amino]-N,N'-di-tert-butyl-1,3,5-triazine-2,4-disulphenamide","N-tert-butyl-4,6-bis[(tert-butylamino)sulfanyl]-1,3,5-triazin-2-amine",CC(C)(C)NSc1nc(NC(C)(C)C)nc(SNC(C)(C)C)n1,CC(C)(C)NSc1nc(NC(C)(C)C)nc(SNC(C)(C)C)n1,"InChI=1/C15H30N6S2/c1-13(2,3)19-10-16-11(22-20-14(4,5)6)18-12(17-10)23-21-15(7,8)9/h20-21H,1-9H3,(H,16,17,18,19)",C15H30N6S2,,,,,,VQQATQRXSKKPPV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.258,300-430-1,93940-35-3,"Decahydro-1,6-dimethyl-1,6-methanonaphthalen-9-ol","4a,6-dimethyldecahydro-1,6-methanonaphthalen-5-ol",CC12CCC3C(CCCC3(C)C1O)C2,CC12CCC3C(CCCC3(C)C1O)C2,"InChI=1/C13H22O/c1-12-7-5-10-9(8-12)4-3-6-13(10,2)11(12)14/h9-11,14H,3-8H2,1-2H3",C13H22O,,,,,,WDSGBNZSINBPCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.263,300-435-9,93940-40-0,"Bis[(8a,9R)-9-hydroxy-6'-methoxycinchonan] 3,7-bisisopropylnaphthalene-1,5-disulphonate","3,7-diisopropylnaphthalene-1,5-disulfonic acid - 6'-methoxycinchonan-9-ol (1:2)",COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.CC(C)c9cc(c%10cc(cc(c%10c9)S(=O)(=O)O)C(C)C)S(=O)(=O)O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.CC(C)c9cc(c%10cc(cc(c%10c9)S(=O)(=O)O)C(C)C)S(=O)(=O)O,"InChI=1/2C20H24N2O2.C16H20O6S2/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-9(2)11-5-13-14(15(7-11)23(17,18)19)6-12(10(3)4)8-16(13)24(20,21)22/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;5-10H,1-4H3,(H,17,18,19)(H,20,21,22)",C20H24N2O2.1/2C18H24O6S2,,,,,,VIWBPSWETXXUCQ-VMJVVOMYSA-N,,,,,,,,,,,
100.091.264,300-436-4,93940-41-1,"Disodium 3,7-bis(tert-butyl)naphthalene-1,5-disulphonate","disodium 3,7-di-tert-butylnaphthalene-1,5-disulfonate",[Na+].[Na+].CC(C)(C)c1cc(c2cc(cc(c2c1)S(=O)(=O)[O-])C(C)(C)C)S(=O)(=O)[O-],[Na+].[Na+].CC(C)(C)c1cc(c2cc(cc(c2c1)S(=O)(=O)[O-])C(C)(C)C)S(=O)(=O)[O-],"InChI=1/C18H24O6S2.2Na/c1-17(2,3)11-7-13-14(15(9-11)25(19,20)21)8-12(18(4,5)6)10-16(13)26(22,23)24;;/h7-10H,1-6H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C18H24O6S2.2Na,,,,,,JVDBZXPNXKZBHM-UHFFFAOYSA-L,,,,,,,,,,,
100.091.270,300-443-2,93940-47-7,"1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diundecenoate","1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) diundec-2-enoate",[O-]C(=O)C=CCCCCCCCC.[O-]C(=O)C=CCCCCCCCC.Nc4cc(C)[n+](CCCCCCCCCC[n+]2c1ccccc1c(N)cc2C)c3ccccc34,[O-]C(=O)C=CCCCCCCCC.[O-]C(=O)C=CCCCCCCCC.Nc4cc(C)[n+](CCCCCCCCCC[n+]2c1ccccc1c(N)cc2C)c3ccccc34,"InChI=1/C30H38N4.2C11H20O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2-3-4-5-6-7-8-9-10-11(12)13/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*9-10H,2-8H2,1H3,(H,12,13)",C30H40N4.2C11H19O2,,,,,,BFNNQDZDKZAKBU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.274,300-447-4,93940-51-3,Sodium 3-[(8-acetamido-2-hydroxy-1-naphthyl)azo]-5-chloro-4-hydroxybenzenesulphonate,sodium 3-[(8-acetamido-2-hydroxy-1-naphthyl)diazenyl]-5-chloro-4-hydroxybenzenesulfonate,[Na+].Oc3c(N=Nc1c2c(NC(C)=O)cccc2ccc1O)cc(cc3Cl)S([O-])(=O)=O,[Na+].Oc3c(N=Nc1c2c(NC(C)=O)cccc2ccc1O)cc(cc3Cl)S([O-])(=O)=O,"InChI=1/C18H14ClN3O6S.Na/c1-9(23)20-13-4-2-3-10-5-6-15(24)17(16(10)13)22-21-14-8-11(29(26,27)28)7-12(19)18(14)25;/h2-8,24-25H,1H3,(H,20,23)(H,26,27,28);/q;+1/p-1",C18H14ClN3O6S.Na,,,,,,SDXATAAFWMHLKC-UHFFFAOYSA-M,,,,,,,,,,,
100.091.275,300-449-5,93940-52-4,"3-[4,5-dihydro-4-[(2-methoxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide","3-{4-[(2-methoxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonamide",[O-][N+](=O)c3ccc(N=NC2C(\\C)=N/N(c1cc(ccc1)S(N)(=O)=O)C2=O)c(OC)c3,[O-][N+](=O)c3ccc(N=NC2C(\C)=N/N(c1cc(ccc1)S(N)(=O)=O)C2=O)c(OC)c3,"InChI=1/C17H16N6O6S/c1-10-16(20-19-14-7-6-12(23(25)26)9-15(14)29-2)17(24)22(21-10)11-4-3-5-13(8-11)30(18,27)28/h3-9,16H,1-2H3,(H2,18,27,28)",C17H16N6O6S,,,,,,QLPVKUZJTMZPJA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.289,300-464-7,93940-66-0,"4-[(2-bromoacryloyl)amino]-2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]benzenesulphonic acid","4-[(2-bromoacryloyl)amino]-2-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzenesulfonic acid",O=C2/C(=C(/C)\\C(\\N=Nc1cc(NC(=O)C(Br)=C)ccc1S(O)(=O)=O)=C(\\O)N2CC)C(N)=O,O=C2/C(=C(/C)\C(\N=Nc1cc(NC(=O)C(Br)=C)ccc1S(O)(=O)=O)=C(\O)N2CC)C(N)=O,"InChI=1/C18H18BrN5O7S/c1-4-24-17(27)13(15(20)25)8(2)14(18(24)28)23-22-11-7-10(21-16(26)9(3)19)5-6-12(11)32(29,30)31/h5-7,28H,3-4H2,1-2H3,(H2,20,25)(H,21,26)(H,29,30,31)",C18H18BrN5O7S,,,,,,LOEPWXQQUUFWMX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.290,300-465-2,93940-67-1,"Trisodium 4-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(2-sulphonatophenyl)azo]naphthalene-1,7-disulphonate","trisodium 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-5-hydroxy-6-[(2-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2ccc(c3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(NCCO)n4,[Na+].[Na+].[Na+].Clc4nc(Nc2ccc(c3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(NCCO)n4,"InChI=1/C21H18ClN7O11S3.3Na/c22-19-25-20(23-7-8-30)27-21(26-19)24-12-5-6-13(41(32,33)34)10-9-15(43(38,39)40)17(18(31)16(10)12)29-28-11-3-1-2-4-14(11)42(35,36)37;;;/h1-6,9,30-31H,7-8H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H2,23,24,25,26,27);;;/q;3*+1/p-3",C21H18ClN7O11S3.3Na,,,,,,OOXOYSCSUOFMHL-UHFFFAOYSA-K,,,,,,,,,,,
100.062.487,268-756-6,68134-60-1,"4-[(benzyl)amino]-9-(diethylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one","4'-(benzylamino)-9'-(diethylamino)-3H-spiro[2-benzofuran-1,12'-benzo[a]xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc4c(NCc5ccccc5)cccc4c3C26OC(=O)c7ccccc67)c1,CCN(CC)c1ccc2c(Oc3ccc4c(NCc5ccccc5)cccc4c3C26OC(=O)c7ccccc67)c1,"InChI=1/C35H30N2O3/c1-3-37(4-2)24-17-19-29-32(21-24)39-31-20-18-25-26(14-10-16-30(25)36-22-23-11-6-5-7-12-23)33(31)35(29)28-15-9-8-13-27(28)34(38)40-35/h5-21,36H,3-4,22H2,1-2H3",C35H30N2O3,,,,,,PVZPAVABUGTGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.062.490,268-759-2,68139-00-4,"2,4-dimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxane","2,4-dimethyl-2-(4-methylpent-3-en-1-yl)-1,3-dioxane",CC1CCOC(C)(CCC=C(C)C)O1,CC1CCOC(C)(CCC=C(C)C)O1,"InChI=1/C12H22O2/c1-10(2)6-5-8-12(4)13-9-7-11(3)14-12/h6,11H,5,7-9H2,1-4H3",C12H22O2,,,,,,CUALKFUPFIXKCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.329,276-285-2,72011-11-1,4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-2-naphthoic acid,4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-2-naphthoic acid,Clc3cc(c(N=Nc1c2ccccc2cc(C(O)=O)c1O)cc3)[N+]([O-])=O,Clc3cc(c(N=Nc1c2ccccc2cc(C(O)=O)c1O)cc3)[N+]([O-])=O,"InChI=1/C17H10ClN3O5/c18-10-5-6-13(14(8-10)21(25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)22)17(23)24/h1-8,22H,(H,23,24)",C17H10ClN3O5,,,,,,VNYYTZFSRNZNFU-UHFFFAOYSA-N,,,,,,,,,,,
100.069.331,276-287-3,72013-81-1,Ethyl 1-hydroxycyclododecaneacetate,ethyl (1-hydroxycyclododecyl)acetate,CCOC(=O)CC1(O)CCCCCCCCCCC1,CCOC(=O)CC1(O)CCCCCCCCCCC1,"InChI=1/C16H30O3/c1-2-19-15(17)14-16(18)12-10-8-6-4-3-5-7-9-11-13-16/h18H,2-14H2,1H3",C16H30O3,,,,,,DOYUNYYERFSZJK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.332,276-288-9,72013-84-4,Tetradecahydrocyclododeca[b]furan,tetradecahydrocyclododeca[b]furan,C1CCCCCC2OCCC2CCCC1,C1CCCCCC2OCCC2CCCC1,"InChI=1/C14H26O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h13-14H,1-12H2",C14H26O,,,,,,BXUHYORBIXEKMH-UHFFFAOYSA-N,,,,,,,,,,,
100.069.333,276-289-4,72014-39-2,"N,N'-[ethylenebis(iminoethylene)]bisdocosanamide","N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]didocosanamide",CCCCCCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C50H102N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(55)53-47-45-51-43-44-52-46-48-54-50(56)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51-52H,3-48H2,1-2H3,(H,53,55)(H,54,56)",C50H102N4O2,,,,,,SFBNWBOCWQUMEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.337,276-294-1,72018-03-2,"2,2'-[butylidenebis[[2-(tert-butyl)-5-methyl-p-phenylene]oxy]]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane]","2,2'-{butane-1,1-diylbis[(5-tert-butyl-2-methyl-4,1-phenylene)oxy]}bis(5,5-dimethyl-1,3,2-dioxaphosphinane)",CCCC(c1cc(C)c(OP2OCC(C)(C)CO2)cc1C(C)(C)C)c3cc(C)c(OP4OCC(C)(C)CO4)cc3C(C)(C)C,CCCC(c1cc(C)c(OP2OCC(C)(C)CO2)cc1C(C)(C)C)c3cc(C)c(OP4OCC(C)(C)CO4)cc3C(C)(C)C,"InChI=1/C36H56O6P2/c1-14-15-26(27-16-24(2)31(18-29(27)33(4,5)6)41-43-37-20-35(10,11)21-38-43)28-17-25(3)32(19-30(28)34(7,8)9)42-44-39-22-36(12,13)23-40-44/h16-19,26H,14-15,20-23H2,1-13H3",C36H56O6P2,,,,,,NXZBVEOILLNJSI-UHFFFAOYSA-N,,,,,,,,,,,
100.069.339,276-296-2,72018-09-8,"5,5-dimethyl-2-(2,4,6-trimethylphenoxy)-1,3,2-dioxaphosphorinane 2-oxide","2-(mesityloxy)-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide",Cc1cc(C)c(OP2(=O)OCC(C)(C)CO2)c(C)c1,Cc1cc(C)c(OP2(=O)OCC(C)(C)CO2)c(C)c1,"InChI=1/C14H21O4P/c1-10-6-11(2)13(12(3)7-10)18-19(15)16-8-14(4,5)9-17-19/h6-7H,8-9H2,1-5H3",C14H21O4P,,,,,,BTCQUAFZBKNMIL-UHFFFAOYSA-N,,,,,,,,,,,
100.069.340,276-297-8,72018-21-4,Ammonium icosyl sulphate,ammonium icosyl sulfate,[NH4+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C20H42O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);1H3",C20H42O4S.H3N,,,,,,XAFPIFNFBCOYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.354,276-312-8,72064-79-0,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate 17-valerate","21-acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate",CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)C,CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)C,"InChI=1/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3",C28H38O7,,,,,,DGYSDXLCLKPUBR-SLPNHVECSA-N,,,,,,,,,,,
100.069.362,276-321-7,72076-42-7,"Stearic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:1)","octadecanoic acid - 1,3,5-triazine-2,4,6-triamine (1:1)",CCCCCCCCCCCCCCCCCC(=O)O.Nc1nc(N)nc(N)n1,CCCCCCCCCCCCCCCCCC(=O)O.Nc1nc(N)nc(N)n1,"InChI=1/C18H36O2.C3H6N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-7-2(5)9-3(6)8-1/h2-17H2,1H3,(H,19,20);(H6,4,5,6,7,8,9)",C18H36O2.C3H6N6,,,,,,GOCPTMPZDPBBSV-UHFFFAOYSA-N,,,,,,,,,,,
100.069.367,276-326-4,72087-40-2,L-arginine mono(4-methyl-2-oxovalerate),4-methyl-2-oxopentanoic acid - L-arginine (1:1),CC(C)CC(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)CC(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C6H14N4O2.C6H10O3/c7-4(5(11)12)2-1-3-10-6(8)9;1-4(2)3-5(7)6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4H,3H2,1-2H3,(H,8,9)",C6H14N4O2.C6H10O3,,,,,,MOZIGXHKOXEDLJ-WCCKRBBISA-N,,,,,,,,,,,
100.089.159,298-122-4,93777-91-4,"N,N',N''-tris(1-methylpropyl)-1-vinylsilanetriamine","N,N',N''-tri-sec-butyl-1-vinylsilanetriamine",CCC(C)N[Si](NC(C)CC)(NC(C)CC)C=C,CCC(C)N[Si](NC(C)CC)(NC(C)CC)C=C,"InChI=1/C14H33N3Si/c1-8-12(5)15-18(11-4,16-13(6)9-2)17-14(7)10-3/h11-17H,4,8-10H2,1-3,5-7H3",C14H33N3Si,,,,,,ALIGWNJACSYFPX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.161,298-125-0,93777-93-6,4-[tris(2-methoxyethoxy)silyl]butyronitrile,4-[tris(2-methoxyethoxy)silyl]butanenitrile,COCCO[Si](CCCC#N)(OCCOC)OCCOC,COCCO[Si](CCCC#N)(OCCOC)OCCOC,"InChI=1/C13H27NO6Si/c1-15-7-10-18-21(13-5-4-6-14,19-11-8-16-2)20-12-9-17-3/h4-5,7-13H2,1-3H3",C13H27NO6Si,,,,,,OWKVUEPXGXUNTC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.163,298-127-1,93777-95-8,"9-(allyloxy)-4,4,15,15-tetraethoxy-10-[3-(triethoxysilyl)propoxy]-3,8,11,16-tetraoxa-4,15-disilaoctadecane","9-(allyloxy)-4,4,15,15-tetraethoxy-10-[3-(triethoxysilyl)propoxy]-3,8,11,16-tetraoxa-4,15-disilaoctadecane",CCO[Si](CCCOC(OCCC[Si](OCC)(OCC)OCC)C(OCCC[Si](OCC)(OCC)OCC)OCC=C)(OCC)OCC,CCO[Si](CCCOC(OCCC[Si](OCC)(OCC)OCC)C(OCCC[Si](OCC)(OCC)OCC)OCC=C)(OCC)OCC,"InChI=1/C32H70O13Si3/c1-11-24-33-31(34-25-21-28-46(37-12-2,38-13-3)39-14-4)32(35-26-22-29-47(40-15-5,41-16-6)42-17-7)36-27-23-30-48(43-18-8,44-19-9)45-20-10/h11,31-32H,1,12-30H2,2-10H3",C32H70O13Si3,,,,,,MSYDZFMZKHKNRI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.171,298-136-0,93778-03-1,"Tetrasodium 4,4'-bis[[4-[bis(2-hydroxypropyl)amino]-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxypropyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].CC(O)CN(CC(C)O)c1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)[O-])nc(n5)N(CC(C)O)CC(C)O)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].[Na+].[Na+].CC(O)CN(CC(C)O)c1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)[O-])nc(n5)N(CC(C)O)CC(C)O)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C44H52N12O16S4.4Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-7-5-9-35(17-31)73(61,62)63)49-41(53-43)47-33-15-13-29(37(19-33)75(67,68)69)11-12-30-14-16-34(20-38(30)76(70,71)72)48-42-50-40(46-32-8-6-10-36(18-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4",C44H52N12O16S4.4Na,,,,,,SOLSIVAJVPUOIP-MOSUJMLHSA-J,,,,,,,,,,,
100.089.177,298-142-3,93778-09-7,3-[(4-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate,1-isocyanato-3-[(4-isocyanatocyclohexyl)methyl]-2-methylbenzene,Cc1c(CC2CCC(CC2)N=C=O)cccc1N=C=O,Cc1c(CC2CCC(CC2)N=C=O)cccc1N=C=O,"InChI=1/C16H18N2O2/c1-12-14(3-2-4-16(12)18-11-20)9-13-5-7-15(8-6-13)17-10-19/h2-4,13,15H,5-9H2,1H3",C16H18N2O2,,,,,,DAWNLECEFLXUNU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.027,300-176-1,93923-86-5,Bis(O-methyl-L-alanine) sulphate,methyl L-alaninate sulfate (2:1),COC(=O)[C@H](C)N.COC(=O)[C@H](C)N.OS(=O)(=O)O,COC(=O)[C@H](C)N.COC(=O)[C@H](C)N.OS(=O)(=O)O,"InChI=1/2C4H9NO2.H2O4S/c2*1-3(5)4(6)7-2;1-5(2,3)4/h2*3H,5H2,1-2H3;(H2,1,2,3,4)",C4H9NO2.1/2H2O4S,,,,,,SPABVOODSCAAQZ-QHTZZOMLSA-N,,,,,,,,,,,
100.091.035,300-185-0,93923-94-5,Butyl 4-amino-3-[3-(trifluoromethyl)phenyl]isothiazole-5-carboxylate,butyl 4-amino-3-[3-(trifluoromethyl)phenyl]isothiazole-5-carboxylate,CCCCOC(=O)c1snc(c1N)c2cccc(c2)C(F)(F)F,CCCCOC(=O)c1snc(c1N)c2cccc(c2)C(F)(F)F,"InChI=1/C15H15F3N2O2S/c1-2-3-7-22-14(21)13-11(19)12(20-23-13)9-5-4-6-10(8-9)15(16,17)18/h4-6,8H,2-3,7,19H2,1H3",C15H15F3N2O2S,,,,,,RZQNJAZKCZDNHY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.042,300-192-9,93924-01-7,"2-[[4-[[4-[[4-chloro-6-[(2,5-disulphophenyl)amino]-1,3,5-triazin-2-yl]methylamino]phenyl]azo]-5-methoxy-2-methylphenyl]azo]benzene-1,4-disulphonic acid","2-{[4-({4-[{4-chloro-6-[(2,5-disulfophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]phenyl}diazenyl)-5-methoxy-2-methylphenyl]diazenyl}benzene-1,4-disulfonic acid",Clc2nc(Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)nc(n2)N(C)c5ccc(N=Nc4cc(C)c(N=Nc3cc(ccc3S(O)(=O)=O)S(O)(=O)=O)cc4OC)cc5,Clc2nc(Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)nc(n2)N(C)c5ccc(N=Nc4cc(C)c(N=Nc3cc(ccc3S(O)(=O)=O)S(O)(=O)=O)cc4OC)cc5,"InChI=1/C30H26ClN9O13S4/c1-16-12-22(25(53-3)15-21(16)37-39-24-14-20(55(44,45)46)9-11-27(24)57(50,51)52)38-36-17-4-6-18(7-5-17)40(2)30-34-28(31)33-29(35-30)32-23-13-19(54(41,42)43)8-10-26(23)56(47,48)49/h4-15H,1-3H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,32,33,34,35)",C30H26ClN9O13S4,,,,,,JMFQAOOSZDYBGF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.078,302-433-3,94108-96-0,"4,4'-difluoro-3-methoxybenzophenone",(4-fluoro-3-methoxyphenyl)(4-fluorophenyl)methanone,COc1cc(ccc1F)C(=O)c2ccc(F)cc2,COc1cc(ccc1F)C(=O)c2ccc(F)cc2,"InChI=1/C14H10F2O2/c1-18-13-8-10(4-7-12(13)16)14(17)9-2-5-11(15)6-3-9/h2-8H,1H3",C14H10F2O2,,,,,,ZNHQUAKTZJQHQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.084,302-440-1,94109-02-1,"Sodium 4-chloro-3-[4,5-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-chloro-3-{4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-][N+](=O)c3ccc(N=NC2C(\\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O)c(O)c3,[Na+].[O-][N+](=O)c3ccc(N=NC2C(\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O)c(O)c3,"InChI=1/C16H12ClN5O7S.Na/c1-8-15(19-18-12-5-2-9(22(25)26)6-14(12)23)16(24)21(20-8)13-7-10(30(27,28)29)3-4-11(13)17;/h2-7,15,23H,1H3,(H,27,28,29);/q;+1/p-1",C16H12ClN5O7S.Na,,,,,,SKTQCDDLKDZUTB-UHFFFAOYSA-M,,,,,,,,,,,
100.090.927,300-066-3,93919-82-5,"Octapotassium tetrahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","octapotassium tetrahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.8K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;/q;8*+1/p-12",C12H36N4O18P6.8K,,,,,,PJVMGHDLVXDLNL-UHFFFAOYSA-B,,,,,,,,,,,
100.090.928,300-067-9,93919-83-6,"Pentasodium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","pentasodium trihydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.5Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;/q;5*+1/p-8",C10H28N2O12P4.5Na,,,,,,KMHXOADAZMNLBD-UHFFFAOYSA-F,,,,,,,,,,,
100.090.929,300-068-4,93919-84-7,"1-(carboxylatomethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-tridecyl-1H-imidazolium",[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-ium-1-yl]acetate,CCCCCCCCCCCCCC1N(CCO)CC[NH+]1CC(=O)[O-],CCCCCCCCCCCCCC1N(CCO)CC[NH+]1CC(=O)[O-],"InChI=1/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-21(16-17-23)14-15-22(19)18-20(24)25/h19,23H,2-18H2,1H3,(H,24,25)",C20H38N2O3,,,,,,KDHCLHULPPOIFW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.930,300-070-5,93919-85-8,Sodium (Z)-N-(2-hydroxyethyl)-N-[2-[(1-oxo-9-octadecenyl)amino]ethyl]glycinate,sodium {(2-hydroxyethyl)[2-(oleoylamino)ethyl]amino}acetate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)NCCN(CCO)CC(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)NCCN(CCO)CC(=O)[O-],"InChI=1/C24H46N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h9-10,27H,2-8,11-22H2,1H3,(H,25,28)(H,29,30);/q;+1/p-1",C24H46N2O4.Na,,,,,,IPYKAMBNXWKFTC-KVVVOXFISA-M,,,,,,,,,,,
100.090.932,300-072-6,93919-87-0,Disodium (Z)-N-[2-[(carboxylatomethyl)(2-hydroxyethyl)amino]ethyl]-N-(1-oxo-9-octadecenyl)glycinate,disodium [{2-[(carboxylatomethyl)(2-hydroxyethyl)amino]ethyl}(oleoyl)amino]acetate,[Na+].[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCN(CCO)CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)N(CCN(CCO)CC(=O)[O-])CC(=O)[O-],"InChI=1/C26H48N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28(23-26(33)34)19-18-27(20-21-29)22-25(31)32;;/h9-10,29H,2-8,11-23H2,1H3,(H,31,32)(H,33,34);;/q;2*+1/p-2",C26H48N2O6.2Na,,,,,,AJZKBFNJILRQRF-XXAVUKJNSA-L,,,,,,,,,,,
100.090.933,300-073-1,93919-88-1,6-methylnon-4-en-3-one,6-methylnon-4-en-3-one,CCCC(C)C=CC(=O)CC,CCCC(C)C=CC(=O)CC,"InChI=1/C10H18O/c1-4-6-9(3)7-8-10(11)5-2/h7-9H,4-6H2,1-3H3",C10H18O,,,,,,JBOKYJTTWHKTAU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.943,300-084-1,93919-99-4,"1-octadecyl hydrogen 2-sulphosuccinate, compound with 2-aminoethanol (1:2)",4-(octadecyloxy)-4-oxo-3-sulfobutanoic acid - 2-aminoethanol (1:2),CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO,CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO,"InChI=1/C22H42O7S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;2*3-1-2-4/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*4H,1-3H2",C22H42O7S.2C2H7NO,,,,,,ZLWBFOKOHOJLAI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.944,300-085-7,93920-01-5,"1-hexadecyl hydrogen 2-sulphosuccinate, compound with 2-aminoethanol (1:2)",4-(hexadecyloxy)-4-oxo-3-sulfobutanoic acid - 2-aminoethanol (1:2),CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO,CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO,"InChI=1/C20H38O7S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;2*3-1-2-4/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*4H,1-3H2",C20H38O7S.2C2H7NO,,,,,,PUJJHXFGFCMYJH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.947,300-088-3,93920-05-9,a-methyl-N-phenyl-N-[4-(1-phenylethyl)phenyl]benzylamine,"N-phenyl-N,4-bis(1-phenylethyl)aniline",CC(N(c1ccccc1)c2ccc(cc2)C(C)c3ccccc3)c4ccccc4,CC(N(c1ccccc1)c2ccc(cc2)C(C)c3ccccc3)c4ccccc4,"InChI=1/C28H27N/c1-22(24-12-6-3-7-13-24)25-18-20-28(21-19-25)29(27-16-10-5-11-17-27)23(2)26-14-8-4-9-15-26/h3-23H,1-2H3",C28H27N,,,,,,WPJNQHKJZHDLKV-UHFFFAOYSA-N,,,,,,,,,,,
100.089.747,298-768-7,93838-97-2,3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-methoxybenzoxazolium iodide,"3-ethyl-2-{2-[(3-ethyl-5-methoxy-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5-methoxy-1,3-benzoxazol-3-ium iodide",[I-].CC[n+]3c4cc(OC)ccc4oc3C=C(CC)C=C2Oc1ccc(cc1N2CC)OC,[I-].CC[n+]3c4cc(OC)ccc4oc3C=C(CC)C=C2Oc1ccc(cc1N2CC)OC,"InChI=1/C25H29N2O4.HI/c1-6-17(13-24-26(7-2)20-15-18(28-4)9-11-22(20)30-24)14-25-27(8-3)21-16-19(29-5)10-12-23(21)31-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1",C25H29N2O4.I,,,,,,VRRBHVVBCRFGKF-UHFFFAOYSA-M,,,,,,,,,,,
100.091.292,300-467-3,93940-69-3,"6a-fluoro-11ß,17-dihydroxy-16a-methyl-3,20-dioxopregna-1,4-dien-21-yl 5-oxo-L-prolinate","6-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 5-oxo-L-prolinate",C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)[C@@H]5CCC(=O)N5,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C27H34FNO7/c1-13-8-16-15-10-18(28)17-9-14(30)6-7-25(17,2)23(15)20(31)11-26(16,3)27(13,35)21(32)12-36-24(34)19-4-5-22(33)29-19/h6-7,9,13,15-16,18-20,23,31,35H,4-5,8,10-12H2,1-3H3,(H,29,33)",C27H34FNO7,,,,,,PHWHOAAATDXTBP-KJFXVXGWSA-N,,,,,,,,,,,
100.092.771,302-095-7,94088-92-3,"Sodium 3,3-dimethylspiro[cyclopropane-1,1'-[1H]indene]-2-carboxylate","sodium 3,3-dimethylspiro[cyclopropane-1,1'-indene]-2-carboxylate",[Na+].CC1(C)C(C(=O)[O-])C12C=Cc3ccccc23,[Na+].CC1(C)C(C(=O)[O-])C12C=Cc3ccccc23,"InChI=1/C14H14O2.Na/c1-13(2)11(12(15)16)14(13)8-7-9-5-3-4-6-10(9)14;/h3-8,11H,1-2H3,(H,15,16);/q;+1/p-1",C14H14O2.Na,,,,,,HHGZQTPEHONJHF-UHFFFAOYSA-M,,,,,,,,,,,
100.092.780,302-104-4,94089-02-8,a-methylthiophene-2-methanethiol,1-(2-thienyl)ethanethiol,CC(S)c1cccs1,CC(S)c1cccs1,"InChI=1/C6H8S2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3",C6H8S2,,,,,,NCCCTQRHFVSOMP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.786,302-111-2,94089-09-5,4-(diethylamino)-2-fluorobenzaldehyde 1-naphthylphenylhydrazone,"N,N-diethyl-3-fluoro-4-[1-naphthyl(phenyl)carbonohydrazonoyl]aniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3cccc4ccccc34)c(F)c1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3cccc4ccccc34)c(F)c1,"InChI=1/C27H26FN3/c1-3-30(4-2)24-18-17-22(26(28)19-24)20-29-31(23-13-6-5-7-14-23)27-16-10-12-21-11-8-9-15-25(21)27/h5-20H,3-4H2,1-2H3",C27H26FN3,,,,,,YXDPHFMZUXCOOE-ZTKZIYFRSA-N,,,,,,,,,,,
100.092.788,302-113-3,94089-11-9,2-chloro-4-(1-pyrrolidinyl)benzaldehyde 1-naphthylphenylhydrazone,1-{3-chloro-4-[1-naphthyl(phenyl)carbonohydrazonoyl]phenyl}pyrrolidine,Clc1cc(ccc1\\C=N\\N(c2ccccc2)c3cccc4ccccc34)N5CCCC5,Clc1cc(ccc1\C=N\N(c2ccccc2)c3cccc4ccccc34)N5CCCC5,"InChI=1/C27H24ClN3/c28-26-19-24(30-17-6-7-18-30)16-15-22(26)20-29-31(23-11-2-1-3-12-23)27-14-8-10-21-9-4-5-13-25(21)27/h1-5,8-16,19-20H,6-7,17-18H2",C27H24ClN3,,,,,,OPFRXUONNBFUCF-ZTKZIYFRSA-N,,,,,,,,,,,
100.092.790,302-115-4,94089-14-2,"1,1-dimethylpropyl phenoxyperoxyacetate","1,1-dimethylpropyl (phenyltrioxidanyl)acetate",CCC(C)(C)OC(=O)COOOc1ccccc1,CCC(C)(C)OC(=O)COOOc1ccccc1,"InChI=1/C13H18O5/c1-4-13(2,3)16-12(14)10-15-18-17-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3",C13H18O4,,,,,,LGUGSTVMHDFVRO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.808,302-135-3,94094-34-5,Bis(2-hydroxyethyl)(octadec-9-enoyl)ammonium acetate,"N,N-bis(2-hydroxyethyl)-1-oxooctadec-9-en-1-aminium acetate",O=C(CCCCCCCC=CCCCCCCCC)[NH+](CCO)CCO.[O-]C(C)=O,O=C(CCCCCCCC=CCCCCCCCC)[NH+](CCO)CCO.[O-]C(C)=O,"InChI=1/C22H43NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h9-10,24-25H,2-8,11-21H2,1H3;1H3,(H,3,4)",C22H43NO3.C2H4O2,,,,,,NXURWDLLVUKUHO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.400,298-387-6,93804-13-8,Ethyl 2-hexyl-4-oxocyclohexanecarboxylate,ethyl 2-hexyl-4-oxocyclohexanecarboxylate,CCCCCCC1CC(=O)CCC1C(=O)OCC,CCCCCCC1CC(=O)CCC1C(=O)OCC,"InChI=1/C15H26O3/c1-3-5-6-7-8-12-11-13(16)9-10-14(12)15(17)18-4-2/h12,14H,3-11H2,1-2H3",C15H26O3,,,,,,DJUSCERMQZVELF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.416,298-404-7,93804-29-6,Methoxydimethyloctylsilane,methoxy(dimethyl)octylsilane,CCCCCCCC[Si](C)(C)OC,CCCCCCCC[Si](C)(C)OC,"InChI=1/C11H26OSi/c1-5-6-7-8-9-10-11-13(3,4)12-2/h5-11H2,1-4H3",C11H26OSi,,,,,,BAXHQTUUOKMMGV-UHFFFAOYSA-N,,,,,,,,,,,
100.089.419,298-407-3,93804-32-1,"Potassium 9,10-dihydro-9,10-dioxo-8-nitroanthracene-1-sulphonate","potassium 8-nitro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[K+].[O-][N+](=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-],[K+].[O-][N+](=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H7NO7S.K/c16-13-7-3-1-5-9(15(18)19)11(7)14(17)12-8(13)4-2-6-10(12)23(20,21)22;/h1-6H,(H,20,21,22);/q;+1/p-1",C14H7NO7S.K,,,,,,CCSQWQRHRJNTID-UHFFFAOYSA-M,,,,,,,,,,,
100.089.422,298-411-5,93804-35-4,"4-hydroxy-3-[[2-[4-(tert-pentyl)phenoxy]phenyl]azo]naphthalene-2,7-disulphonic acid","3-({2-[4-(1,1-dimethylpropyl)phenoxy]phenyl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c4cc1cc(ccc1c(O)c4N=Nc3ccccc3Oc2ccc(cc2)C(C)(C)CC)S(O)(=O)=O,OS(=O)(=O)c4cc1cc(ccc1c(O)c4N=Nc3ccccc3Oc2ccc(cc2)C(C)(C)CC)S(O)(=O)=O,"InChI=1/C27H26N2O8S2/c1-4-27(2,3)18-9-11-19(12-10-18)37-23-8-6-5-7-22(23)28-29-25-24(39(34,35)36)16-17-15-20(38(31,32)33)13-14-21(17)26(25)30/h5-16,30H,4H2,1-3H3,(H,31,32,33)(H,34,35,36)",C27H26N2O8S2,,,,,,NIDHMNAVSFHPCV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.828,299-957-7,93918-76-4,Ammonium lutetium(3+) disulphate,ammonium lutetium(3+) disulphate,[NH4+].[Lu+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Lu+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Lu.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",H3N.2H2O4S.Lu,,,,,,CJAOVSZYHFTQSA-UHFFFAOYSA-K,,,,,,,,,,,
100.090.842,299-972-9,93918-91-3,Butoxytriethoxytitanium,titanium(4+) butan-1-olate triethanolate,CCCCO[Ti](OCC)(OCC)OCC,CCCCO[Ti](OCC)(OCC)OCC,"InChI=1/C4H9O.3C2H5O.Ti/c1-2-3-4-5;3*1-2-3;/h2-4H2,1H3;3*2H2,1H3;/q4*-1;+4/rC10H24O4Ti/c1-5-9-10-14-15(11-6-2,12-7-3)13-8-4/h5-10H2,1-4H3",C10H24O4Ti,,,,,,WQKUIRLFSNRWTK-UHFFFAOYSA-N,,,,,,,,,,,
100.069.370,276-330-6,72088-87-0,N-(2-ethylphenyl)-3-hydroxy-4-[(4-methoxy-2-nitrophenyl)azo]naphthalene-2-carboxamide,N-(2-ethylphenyl)-3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]-2-naphthamide,CCc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(OC)cc2[N+]([O-])=O)c3O,CCc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccc(OC)cc2[N+]([O-])=O)c3O,"InChI=1/C26H22N4O5/c1-3-16-8-5-7-11-21(16)27-26(32)20-14-17-9-4-6-10-19(17)24(25(20)31)29-28-22-13-12-18(35-2)15-23(22)30(33)34/h4-15,31H,3H2,1-2H3,(H,27,32)",C26H22N4O5,,,,,,WCYYHGULXDORSH-UHFFFAOYSA-N,,,,,,,,,,,
100.086.432,295-115-8,91795-60-7,"1,1'-diheptyl-4,4'-bipyridinium diphosphinate","1,1'-diheptyl-4,4'-bipyridinium bis(phosphinate)",CCCCCCC[n+]1ccc(cc1)c2cc[n+](CCCCCCC)cc2.[O-]P=O.[O-]P=O,CCCCCCC[n+]1ccc(cc1)c2cc[n+](CCCCCCC)cc2.[O-]P=O.[O-]P=O,"InChI=1/C24H38N2.2HO2P/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;2*1-3-2/h13-16,19-22H,3-12,17-18H2,1-2H3;2*(H,1,2)/q+2;;/p-2",C24H38N2.2H2O2P,,,,,,KWPOEHWZLDZCBA-UHFFFAOYSA-L,,,,,,,,,,,
100.064.974,271-492-4,68568-51-4,Bis(2-hydroxyethyl)ammonium heptanoate,2-hydroxy-N-(2-hydroxyethyl)ethanaminium heptanoate,CCCCCCC(=O)[O-].OCC[NH2+]CCO,CCCCCCC(=O)[O-].OCC[NH2+]CCO,"InChI=1/C7H14O2.C4H11NO2/c1-2-3-4-5-6-7(8)9;6-3-1-5-2-4-7/h2-6H2,1H3,(H,8,9);5-7H,1-4H2",C7H14O2.C4H11NO2,,,,,,LWBBQBUJUUFPOR-UHFFFAOYSA-N,,,,,,,,,,,
100.064.983,271-502-7,68568-80-9,"4,4,6-trimethyl-a-propyl-1,3-dioxane-2-propanol","1-(4,4,6-trimethyl-1,3-dioxan-2-yl)hexan-3-ol",CCCC(O)CCC1OC(C)CC(C)(C)O1,CCCC(O)CCC1OC(C)CC(C)(C)O1,"InChI=1/C13H26O3/c1-5-6-11(14)7-8-12-15-10(2)9-13(3,4)16-12/h10-12,14H,5-9H2,1-4H3",C13H26O3,,,,,,PGJWDNHHHKORMH-UHFFFAOYSA-N,,,,,,,,,,,
100.064.777,271-275-4,68527-68-4,"5,6-dimethyl-8-nitroquinoline","5,6-dimethyl-8-nitroquinoline",Cc1cc(c2ncccc2c1C)[N+](=O)[O-],Cc1cc(c2ncccc2c1C)[N+](=O)[O-],"InChI=1/C11H10N2O2/c1-7-6-10(13(14)15)11-9(8(7)2)4-3-5-12-11/h3-6H,1-2H3",C11H10N2O2,,,,,,XFLPCFACRGFFQN-UHFFFAOYSA-N,,,,,,,,,,,
100.064.780,271-279-6,68527-74-2,"2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol","2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol",COc1cc(ccc1O)C2OCC(C)O2,COc1cc(ccc1O)C2OCC(C)O2,"InChI=1/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3",C11H14O4,,,,,,RFGCVZIIIHRESZ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.786,271-285-9,68527-80-0,Methyl 2-(2-hexenylideneamino)benzoate,methyl 2-(hex-2-en-1-ylideneamino)benzoate,COC(=O)c1ccccc1N=CC=CCCC,COC(=O)c1ccccc1N=CC=CCCC,"InChI=1/C14H17NO2/c1-3-4-5-8-11-15-13-10-7-6-9-12(13)14(16)17-2/h5-11H,3-4H2,1-2H3",C14H17NO2,,,,,,IGAVEPCBGZDTJY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.788,271-288-5,68527-82-2,"1,1-bis(octyloxy)octane","1,1-bis(octyloxy)octane",CCCCCCCCOC(CCCCCCC)OCCCCCCCC,CCCCCCCCOC(CCCCCCC)OCCCCCCCC,"InChI=1/C24H50O2/c1-4-7-10-13-16-19-22-25-24(21-18-15-12-9-6-3)26-23-20-17-14-11-8-5-2/h24H,4-23H2,1-3H3",C24H50O2,,,,,,MOYIXNPVAUEVMW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.676,268-964-7,68155-50-0,"3,4-bisisopropylphenol","3,4-diisopropylphenol",CC(C)c1ccc(O)cc1C(C)C,CC(C)c1ccc(O)cc1C(C)C,"InChI=1/C12H18O/c1-8(2)11-6-5-10(13)7-12(11)9(3)4/h5-9,13H,1-4H3",C12H18O,,,,,,VTJCIWXYZXSECW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.678,268-966-8,68155-52-2,12-hydroxy-N-octadecyloctadecan-1-amide,12-hydroxy-N-octadecyloctadecanamide,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C36H73NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-37-36(39)33-29-25-22-19-18-21-24-28-32-35(38)31-27-8-6-4-2/h35,38H,3-34H2,1-2H3,(H,37,39)",C36H73NO2,,,,,,XJOOKFNMTRPLEG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.683,268-972-0,68155-60-2,"Tetrasodium 3,3'-[[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl]bis(imino-4,1-phenyleneazo)]bisnaphthalene-1,5-disulphonate","tetrasodium 3,3'-[{6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl}bis(imino-4,1-phenylenediazene-2,1-diyl)]dinaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cccc1c7cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2)Nc3nc(nc(n3)N(CCO)CCO)Nc6ccc(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cccc1c7cc(cc1S([O-])(=O)=O)N=Nc2ccc(cc2)Nc3nc(nc(n3)N(CCO)CCO)Nc6ccc(N=Nc5cc4c(cccc4c(c5)S([O-])(=O)=O)S([O-])(=O)=O)cc6,"InChI=1/C39H34N10O14S4.4Na/c50-17-15-49(16-18-51)39-43-37(40-23-7-11-25(12-8-23)45-47-27-19-31-29(35(21-27)66(58,59)60)3-1-5-33(31)64(52,53)54)42-38(44-39)41-24-9-13-26(14-10-24)46-48-28-20-32-30(36(22-28)67(61,62)63)4-2-6-34(32)65(55,56)57;;;;/h1-14,19-22,50-51H,15-18H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H2,40,41,42,43,44);;;;/q;4*+1/p-4",C39H34N10O14S4.4Na,,,,,,DSZRDVVIJSSFRS-UHFFFAOYSA-J,,,,,,,,,,,
100.062.686,268-975-7,68155-63-5,"Disodium 5-[[2,4-dihydroxy-5-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-({2,4-dihydroxy-5-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc5c(cc(cc5N=Nc4c(cc3cc(cc(N=Nc2cc(N=Nc1ccc(cc1)[N+]([O-])=O)c(O)cc2O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O,[Na+].[Na+].Oc5c(cc(cc5N=Nc4c(cc3cc(cc(N=Nc2cc(N=Nc1ccc(cc1)[N+]([O-])=O)c(O)cc2O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C28H17N9O16S2.2Na/c38-22-11-23(39)18(10-17(22)30-29-13-1-3-14(4-2-13)35(42)43)31-32-19-9-16(54(48,49)50)5-12-6-24(55(51,52)53)26(28(41)25(12)19)34-33-20-7-15(36(44)45)8-21(27(20)40)37(46)47;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C28H17N9O16S2.2Na,,,,,,WMEHWGRJJSAYSJ-UHFFFAOYSA-L,,,,,,,,,,,
100.093.085,302-441-7,94109-04-3,"4,5-dihydro-4-[(2-methoxy-5-methylphenyl)azo]-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monoacetate","4-[(2-methoxy-5-methylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carboximidamide acetate",O=C2C(N=Nc1cc(C)ccc1OC)C(\\C)=N/N2C(=N)N.CC(O)=O,O=C2C(N=Nc1cc(C)ccc1OC)C(\C)=N/N2C(=N)N.CC(O)=O,"InChI=1/C13H16N6O2.C2H4O2/c1-7-4-5-10(21-3)9(6-7)16-17-11-8(2)18-19(12(11)20)13(14)15;1-2(3)4/h4-6,11H,1-3H3,(H3,14,15);1H3,(H,3,4)",C13H16N6O2.C2H4O2,,,,,,UAWRWOFKIQNAHB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.087,302-443-8,94109-06-5,(Z)-N-(2-hydroxypropyl)docos-13-enamide,N-(2-hydroxypropyl)docos-13-enamide,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)NCC(C)O,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCC(C)O,"InChI=1/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-23-24(2)27/h10-11,24,27H,3-9,12-23H2,1-2H3,(H,26,28)",C25H49NO2,,,,,,HTWTUPXWDNHQBL-KHPPLWFESA-N,,,,,,,,,,,
100.089.188,298-154-9,93778-20-2,"Sodium hydrogen pyrazine-2,3-dicarboxylate","hydrogen sodium pyrazine-2,3-dicarboxylate",[Na+].[O-]C(=O)c1nccnc1C(=O)[O-],[Na+].[O-]C(=O)c1nccnc1C(=O)[O-],"InChI=1/C6H4N2O4.Na/c9-5(10)3-4(6(11)12)8-2-1-7-3;/h1-2H,(H,9,10)(H,11,12);/q;+1/p-2",C6H4N2O4.Na,,,,,,LTQZEUUHXURJER-UHFFFAOYSA-L,,,,,,,,,,,
100.089.189,298-155-4,93778-21-3,Isopropyl pyrazinecarboxylate,isopropyl pyrazine-2-carboxylate,CC(C)OC(=O)c1cnccn1,CC(C)OC(=O)c1cnccn1,"InChI=1/C8H10N2O2/c1-6(2)12-8(11)7-5-9-3-4-10-7/h3-6H,1-2H3",C8H10N2O2,,,,,,UQIVGDUWRUPYRU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.199,298-166-4,93778-31-5,Potassium 4-methyl-2-oxovalerate,potassium 4-methyl-2-oxopentanoate,[K+].CC(C)CC(=O)C(=O)[O-],[K+].CC(C)CC(=O)C(=O)[O-],"InChI=1/C6H10O3.K/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1",C6H10O3.K,,,,,,LBVGRCMWWGZGED-UHFFFAOYSA-M,,,,,,,,,,,
100.089.206,298-174-8,93778-38-2,L-arginine mono(a-oxobenzenepropionate),2-oxo-3-phenylpropanoic acid - L-arginine (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C(=O)Cc1ccccc1,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C(=O)Cc1ccccc1,"InChI=1/C9H8O3.C6H14N4O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4(5(11)12)2-1-3-10-6(8)9/h1-5H,6H2,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C9H8O3.C6H14N4O2,,,,,,USJFALXYHGORGC-VWMHFEHESA-N,,,,,,,,,,,
100.089.210,298-179-5,93778-42-8,(carboxymethyl)trimethylammonium nitrate,"carboxy-N,N,N-trimethylmethanaminium nitrate",C[N+](C)(C)CC(=O)O.[O-][N+](=O)[O-],C[N+](C)(C)CC(=O)O.[O-][N+](=O)[O-],"InChI=1/C5H11NO2.NO3/c1-6(2,3)4-5(7)8;2-1(3)4/h4H2,1-3H3;/q;-1/p+1",C5H12NO2.NO3,,,,,,QJWNYSRCYOCRGE-UHFFFAOYSA-O,,,,,,,,,,,
100.089.214,298-183-7,93778-46-2,N-[3-[bis(3-phenylpropyl)amino]phenyl]acetamide,N-{3-[bis(3-phenylpropyl)amino]phenyl}acetamide,CC(=O)Nc1cccc(c1)N(CCCc2ccccc2)CCCc3ccccc3,CC(=O)Nc1cccc(c1)N(CCCc2ccccc2)CCCc3ccccc3,"InChI=1/C26H30N2O/c1-22(29)27-25-17-8-18-26(21-25)28(19-9-15-23-11-4-2-5-12-23)20-10-16-24-13-6-3-7-14-24/h2-8,11-14,17-18,21H,9-10,15-16,19-20H2,1H3,(H,27,29)",C26H30N2O,,,,,,RGTILWBSOZQZFU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.112,302-471-0,94109-31-6,"7-[(tributylstannyl)oxy]-tetrasiloxane-1,1,1,3,3,5,5,7,7-nonol","1,1,3,3,5,5-hexahydroxy-5-[(tributylstannyl)oxy]trisiloxanyl trihydrogen orthosilicate",CCCC[Sn](CCCC)(CCCC)O[Si](O)(O)O[Si](O)(O)O[Si](O)(O)O[Si](O)(O)O,CCCC[Sn](CCCC)(CCCC)O[Si](O)(O)O[Si](O)(O)O[Si](O)(O)O[Si](O)(O)O,"InChI=1/3C4H9.H9O13Si4.Sn/c3*1-3-4-2;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6;/h3*1,3-4H2,2H3;1-5,7-10H;/q;;;-1;+1/rC12H36O13Si4Sn/c1-4-7-10-30(11-8-5-2,12-9-6-3)25-29(20,21)24-28(18,19)23-27(16,17)22-26(13,14)15/h13-21H,4-12H2,1-3H3",C12H36O13Si4Sn,,,,,,ABHRQDGSFRAAKL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.123,302-483-6,94109-42-9,"Tetrasodium 2-[[8-[[[[3-[(2-chloroethyl)sulphonyl]phenyl]amino]carbonyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 2-({8-[({3-[(2-chloroethyl)sulfonyl]phenyl}carbamoyl)amino]-1-hydroxy-3,6-disulfonato-2-naphthyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].ClCCS(=O)(=O)c1cccc(c1)NC(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].ClCCS(=O)(=O)c1cccc(c1)NC(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C29H23ClN4O16S5.4Na/c30-9-10-51(37,38)17-4-1-3-16(13-17)31-29(36)32-22-14-18(52(39,40)41)11-15-12-24(54(45,46)47)26(27(35)25(15)22)34-33-21-8-7-19-20(28(21)55(48,49)50)5-2-6-23(19)53(42,43)44;;;;/h1-8,11-14,35H,9-10H2,(H2,31,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",C29H23ClN4O16S5.4Na,,,,,,DWOJMZMDRAJSRP-UHFFFAOYSA-J,,,,,,,,,,,
100.093.124,302-484-1,94109-43-0,"Tetrasodium 4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]-5-[[[[3-[[2-(sulphonatothio)ethyl]sulphonyl]phenyl]amino]carbonyl]amino]naphthalene-2,7-disulphonate","tetrasodium 4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]-5-{[(3-{[2-(sulfonatosulfanyl)ethyl]sulfonyl}phenyl)carbamoyl]amino}naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)SCCS(=O)(=O)c1cccc(c1)NC(=O)Nc4cc(cc5cc(c(N=Nc3ccc2ccccc2c3S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)SCCS(=O)(=O)c1cccc(c1)NC(=O)Nc4cc(cc5cc(c(N=Nc3ccc2ccccc2c3S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C29H24N4O16S6.4Na/c34-27-25-17(13-24(53(41,42)43)26(27)33-32-22-9-8-16-4-1-2-7-21(16)28(22)54(44,45)46)12-20(52(38,39)40)15-23(25)31-29(35)30-18-5-3-6-19(14-18)51(36,37)11-10-50-55(47,48)49;;;;/h1-9,12-15,34H,10-11H2,(H2,30,31,35)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;4*+1/p-4",C29H24N4O16S6.4Na,,,,,,UWODZAFZRXYXLD-UHFFFAOYSA-J,,,,,,,,,,,
100.089.748,298-769-2,93838-98-3,"3-allyl-5-[(1,4-dihydro-1,4-dimethyl-5H-tetrazol-5-ylidene)ethylidene]-2-thioxothiazolidin-4-one","3-allyl-5-[2-(1,4-dimethyl-1,4-dihydro-5H-tetrazol-5-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one",C=CCN2C(=O)C(=C\\C=C1/N(C)/N=N\\N1C)SC2=S,C=CCN2C(=O)C(=C\C=C1/N(C)/N=N\N1C)SC2=S,"InChI=1/C11H13N5OS2/c1-4-7-16-10(17)8(19-11(16)18)5-6-9-14(2)12-13-15(9)3/h4-6H,1,7H2,2-3H3",C11H13N5OS2,,,,,,PVGZNWILBGFDNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.749,298-770-8,93838-99-4,3-ethyl-2-[3-(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)prop-1-enyl]-5-methoxybenzoselenazolium iodide,"3-ethyl-2-[3-(3-ethyl-5-methoxy-1,3-benzoselenazol-2(3H)-ylidene)prop-1-en-1-yl]-5-methoxy-1,3-benzoselenazol-3-ium iodide",[I-].CC[n+]3c4cc(OC)ccc4[se]c3C=CC=C2[Se]c1ccc(cc1N2CC)OC,[I-].CC[n+]3c4cc(OC)ccc4[se]c3C=CC=C2[Se]c1ccc(cc1N2CC)OC,-,C23H25N2O2Se2.I,,,,,,URWKGTZRIOHYOE-UHFFFAOYSA-M,,,,,,,,,,,
100.091.375,300-558-8,93942-09-7,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]octadec-9-enamide monoacetate,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]octadec-9-enamide acetate,O=C(NCCNCCNCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O,O=C(NCCNCCNCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O,"InChI=1/C24H50N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h9-10,26-27H,2-8,11-23,25H2,1H3,(H,28,29);1H3,(H,3,4)",C24H50N4O.C2H4O2,,,,,,RZWXGISNLORIRK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.386,300-570-3,93942-20-2,"N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadeca-9,12-dien-1-amide","N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octadeca-9,12-dienamide",CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCN,CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1/C26H53N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27/h6-7,9-10,28-30H,2-5,8,11-25,27H2,1H3,(H,31,32)",C26H53N5O,,,,,,IGTHUKCHFWQYHW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.397,300-582-9,93942-31-5,"Cinnamic acid, compound with morpholine (1:1)",3-phenylacrylic acid - morpholine (1:1),OC(=O)\\C=C\\c1ccccc1.C2COCCN2,OC(=O)\C=C\c1ccccc1.C2COCCN2,"InChI=1/C9H8O2.C4H9NO/c10-9(11)7-6-8-4-2-1-3-5-8;1-3-6-4-2-5-1/h1-7H,(H,10,11);5H,1-4H2",C9H8O2.C4H9NO,,,,,,CQCGPMLCLCRROA-UHDJGPCESA-N,,,,,,,,,,,
100.092.703,302-020-8,94088-22-9,(Z)-5-hydroxy-7-decen-2-ynoic acid,5-hydroxydec-7-en-2-ynoic acid,CC\\C=C/CC(O)CC#CC(=O)O,CC\C=C/CC(O)CC#CC(=O)O,"InChI=1/C10H14O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h3-4,9,11H,2,6-7H2,1H3,(H,12,13)",C10H14O3,,,,,,MNXCKMDBIGRQOV-ARJAWSKDSA-N,,,,,,,,,,,
100.092.704,302-021-3,94088-23-0,"(2Z,7Z)-5-hydroxydeca-2,7-dienoic acid","5-hydroxydeca-2,7-dienoic acid",CC\\C=C/CC(O)C\\C=C/C(=O)O,CC\C=C/CC(O)C\C=C/C(=O)O,"InChI=1/C10H16O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h3-5,8-9,11H,2,6-7H2,1H3,(H,12,13)",C10H16O3,,,,,,MCZMHZXLVYUIFV-UBNNFMAXSA-N,,,,,,,,,,,
100.092.705,302-022-9,94088-24-1,"1,1-diethoxytridec-2-yne","1,1-diethoxytridec-2-yne",CCCCCCCCCCC#CC(OCC)OCC,CCCCCCCCCCC#CC(OCC)OCC,"InChI=1/C17H32O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h17H,4-14H2,1-3H3",C17H32O2,,,,,,HSPGCSUUJFSCEK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.706,302-023-4,94088-25-2,Undec-1-en-3-yl acetate,1-vinylnonyl acetate,CCCCCCCCC(OC(=O)C)C=C,CCCCCCCCC(OC(=O)C)C=C,"InChI=1/C13H24O2/c1-4-6-7-8-9-10-11-13(5-2)15-12(3)14/h5,13H,2,4,6-11H2,1,3H3",C13H24O2,,,,,,KQQKISBWTDGYIM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.711,302-029-7,94088-30-9,4-methylnonan-1-al,4-methylnonanal,CCCCCC(C)CCC=O,CCCCCC(C)CCC=O,"InChI=1/C10H20O/c1-3-4-5-7-10(2)8-6-9-11/h9-10H,3-8H2,1-2H3",C10H20O,,,,,,DHBWTBZYMOTKID-UHFFFAOYSA-N,,,,,,,,,,,
100.092.714,302-032-3,94088-33-2,(Z)-1-methylhex-3-enyl acetate,1-methylhex-3-en-1-yl acetate,CC\\C=C/CC(C)OC(=O)C,CC\C=C/CC(C)OC(=O)C,"InChI=1/C9H16O2/c1-4-5-6-7-8(2)11-9(3)10/h5-6,8H,4,7H2,1-3H3",C9H16O2,,,,,,QJMRCUOWTUQXIQ-WAYWQWQTSA-N,,,,,,,,,,,
100.092.718,302-037-0,94088-37-6,"1,1'-[(3,7-dimethyl-6-octenylidene)bis(oxymethylene)]bisbenzene","1,1'-[(2,6-dimethyloct-2-ene-8,8-diyl)bis(oxymethylene)]dibenzene",CC(CCC=C(C)C)CC(OCc1ccccc1)OCc2ccccc2,CC(CCC=C(C)C)CC(OCc1ccccc1)OCc2ccccc2,"InChI=1/C24H32O2/c1-20(2)11-10-12-21(3)17-24(25-18-22-13-6-4-7-14-22)26-19-23-15-8-5-9-16-23/h4-9,11,13-16,21,24H,10,12,17-19H2,1-3H3",C24H32O2,,,,,,UFVIUXYEJWOMIA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.721,302-040-7,94088-40-1,"1-methylethane-1,2-diyl cyclohexane-1,2-dicarboxylate",2-[(2-{[(2-carboxycyclohexyl)carbonyl]oxy}-1-methylethoxy)carbonyl]cyclohexanecarboxylate,CC(COC(=O)C1CCCCC1C(=O)O)OC(=O)C2CCCCC2C(=O)[O-],CC(COC(=O)C1CCCCC1C(=O)O)OC(=O)C2CCCCC2C(=O)[O-],"InChI=1/C19H28O8/c1-11(27-19(25)15-9-5-3-7-13(15)17(22)23)10-26-18(24)14-8-4-2-6-12(14)16(20)21/h11-15H,2-10H2,1H3,(H,20,21)(H,22,23)/p-1",C19H28O8,,,,,,JUHNWETULOPXFP-UHFFFAOYSA-M,,,,,,,,,,,
100.092.729,302-049-6,94088-48-9,"(Z)-2-amino-1,5-dihydro-1-(9-octadecenyl)-4H-imidazol-4-one","2-amino-1-octadec-9-en-1-yl-1,5-dihydro-4H-imidazol-4-one",CCCCCCCC\\C=C/CCCCCCCCN1CC(=O)N=C1N,CCCCCCCC\C=C/CCCCCCCCN1CC(=O)N=C1N,"InChI=1/C21H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20(25)23-21(24)22/h9-10H,2-8,11-19H2,1H3,(H2,22,23,25)",C21H39N3O,,,,,,UFDZRWXZNOXKCS-KTKRTIGZSA-N,,,,,,,,,,,
100.090.843,299-973-4,93918-92-4,N-benzylpyrrolidine-1-undecanamide,N-benzyl-11-pyrrolidin-1-ylundecanamide,O=C(CCCCCCCCCCN1CCCC1)NCc2ccccc2,O=C(CCCCCCCCCCN1CCCC1)NCc2ccccc2,"InChI=1/C22H36N2O/c25-22(23-20-21-14-8-7-9-15-21)16-10-5-3-1-2-4-6-11-17-24-18-12-13-19-24/h7-9,14-15H,1-6,10-13,16-20H2,(H,23,25)",C22H36N2O,,,,,,LYAWISOLMKNQKO-UHFFFAOYSA-N,,,,,,,,,,,
100.090.844,299-975-5,93918-93-5,1-[1-oxo-11-(1-pyrrolidinyl)undecyl]pyrrolidine,"1,1'-(1-oxoundecane-1,11-diyl)dipyrrolidine",O=C(CCCCCCCCCCN1CCCC1)N2CCCC2,O=C(CCCCCCCCCCN1CCCC1)N2CCCC2,InChI=1/C19H36N2O/c22-19(21-17-11-12-18-21)13-7-5-3-1-2-4-6-8-14-20-15-9-10-16-20/h1-18H2,C19H36N2O,,,,,,OSBBKIWWPCSOKN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.850,299-981-8,93918-99-1,"3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 2-(methylamino)ethanol (1:1)","1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione - 2-(methylamino)ethanol (1:1)",CNCCO.CN1C(=O)N(C)c2[nH]cnc2C1=O,CNCCO.CN1C(=O)N(C)c2[nH]cnc2C1=O,"InChI=1/C7H8N4O2.C3H9NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4-2-3-5/h3H,1-2H3,(H,8,9);4-5H,2-3H2,1H3",C7H8N4O2.C3H9NO,,,,,,JTFDFDAADGJSMU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.858,299-990-7,93919-07-4,"Hexaethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6,1-hexanediyliminocarbonyl)]trismalonate","hexaethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tris(hexane-6,1-diylcarbamoyl)]trimalonate",CCOC(=O)C(C(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)N(CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C1=O)C(=O)OCC,CCOC(=O)C(C(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)N(CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C1=O)C(=O)OCC,"InChI=1/C45H72N6O18/c1-7-64-37(55)31(38(56)65-8-2)34(52)46-25-19-13-16-22-28-49-43(61)50(29-23-17-14-20-26-47-35(53)32(39(57)66-9-3)40(58)67-10-4)45(63)51(44(49)62)30-24-18-15-21-27-48-36(54)33(41(59)68-11-5)42(60)69-12-6/h31-33H,7-30H2,1-6H3,(H,46,52)(H,47,53)(H,48,54)",C45H72N6O18,,,,,,BURISEUGTRDFKM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.859,299-991-2,93919-08-5,"Ethyl 2-[[[3-[[[2-(ethoxycarbonyl)-1,3-dioxobutyl]amino]methyl]-3,5,5-trimethylcyclohexyl]amino]carbonyl]-3-oxobutyrate","ethyl 2-{[3-({[2-(ethoxycarbonyl)-3-oxobutanoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]carbamoyl}-3-oxobutanoate",CCOC(=O)C(C(=O)C)C(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)C(C(=O)C)C(=O)OCC,CCOC(=O)C(C(=O)C)C(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)C(C(=O)C)C(=O)OCC,"InChI=1/C24H38N2O8/c1-8-33-21(31)17(14(3)27)19(29)25-13-24(7)11-16(10-23(5,6)12-24)26-20(30)18(15(4)28)22(32)34-9-2/h16-18H,8-13H2,1-7H3,(H,25,29)(H,26,30)",C24H38N2O8,,,,,,BFMKOQRYRSHQGV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.863,299-995-4,93919-12-1,(E)-2-methyloct-6-en-2-ol,2-methyloct-6-en-2-ol,C\\C=C\\CCCC(C)(C)O,C\C=C\CCCC(C)(C)O,"InChI=1/C9H18O/c1-4-5-6-7-8-9(2,3)10/h4-5,10H,6-8H2,1-3H3",C9H18O,,,,,,PCITYCRXSBKQDR-SNAWJCMRSA-N,,,,,,,,,,,
100.090.866,299-999-6,93919-15-4,"1',2'-dihydro-6'-hydroxy-4'-methyl-5'-[[2-[(nonyloxy)carbonyl]phenyl]azo]-2'-oxo-1,3'-bipyridinium hydroxide","6'-hydroxy-4'-methyl-5'-({2-[(nonyloxy)carbonyl]phenyl}diazenyl)-2'-oxo-1',2'-dihydro-1,3'-bipyridinium dihydroxide",[OH-].[OH-].O=C3[NH2+]C(\\O)=C(\\N=Nc1ccccc1C(=O)OCCCCCCCCC)C(\\C)=C3\\[n+]2ccccc2,[OH-].[OH-].O=C3[NH2+]C(\O)=C(\N=Nc1ccccc1C(=O)OCCCCCCCCC)C(\C)=C3\[n+]2ccccc2,"InChI=1/C27H32N4O4.2H2O/c1-3-4-5-6-7-8-14-19-35-27(34)21-15-10-11-16-22(21)29-30-23-20(2)24(26(33)28-25(23)32)31-17-12-9-13-18-31;;/h9-13,15-18H,3-8,14,19H2,1-2H3,(H-,28,29,32,33,34);2*1H2",C27H33N4O4.HO,,,,,,VDOJOKVKMJCHEB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.302,300-478-3,93940-79-5,"5-oxo-L-proline, compound with (5a)-17-allyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one (1:1)","5-oxo-L-proline - 17-allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-one (1:1)",OC(=O)[C@@H]1CCC(=O)N1.Oc2ccc3C[C@H]4N(CC=C)CC[C@@]56[C@@H](Oc2c35)C(=O)CC[C@@]46O,OC(=O)[C@@H]1CCC(=O)N1.Oc2ccc3C[C@H]4N(CC=C)CC[C@@]56[C@@H](Oc2c35)C(=O)CC[C@@]46O,"InChI=1/C19H21NO4.C5H7NO3/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;7-4-2-1-3(6-4)5(8)9/h2-4,14,17,21,23H,1,5-10H2;3H,1-2H2,(H,6,7)(H,8,9)",C19H21NO4.C5H7NO3,,,,,,DEAFEXLWTSVJEG-MLIUDLPHSA-N,,,,,,,,,,,
100.091.310,300-487-2,93940-87-5,"5-oxo-L-proline, compound with 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride (1:1)","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride - 5-oxo-L-proline (1:1)",[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.OC(=O)[C@@H]3CCC(=O)N3,[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C12H17N4OS.C5H7NO3.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;7-4-2-1-3(6-4)5(8)9;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);3H,1-2H2,(H,6,7)(H,8,9);1H/q+1;;/p-1",C12H17N4OS.C5H7NO3.Cl,,,,,,IXKSTYQVWKARBZ-RJXKWAGSSA-M,,,,,,,,,,,
100.091.311,300-488-8,93940-88-6,"5-oxo-L-proline, compound with 4-hydroxy-a-[1-[(1-methyl-3-phenylpropyl)amino]ethyl]benzyl alcohol (1:1)",5-oxo-L-proline - 4-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]propyl}phenol (1:1),CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2.OC(=O)[C@@H]3CCC(=O)N3,CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C19H25NO2.C5H7NO3/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;7-4-2-1-3(6-4)5(8)9/h3-7,10-15,19-22H,8-9H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C19H25NO2.C5H7NO3,,,,,,HYUYCADVBROMHK-HVDRVSQOSA-N,,,,,,,,,,,
100.091.313,300-490-9,93940-92-2,4-amino-3-methylpyrocatechol,"4-amino-3-methylbenzene-1,2-diol",Cc1c(N)ccc(O)c1O,Cc1c(N)ccc(O)c1O,"InChI=1/C7H9NO2/c1-4-5(8)2-3-6(9)7(4)10/h2-3,9-10H,8H2,1H3",C7H9NO2,,,,,,BZWJOZNPOSYQTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.687,268-976-2,68155-64-6,1-[6-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]propan-1-one,1-[6-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]propan-1-one,CCC(=O)C1CC(=CCC1C)CCC=C(C)C,CCC(=O)C1CC(=CCC1C)CCC=C(C)C,"InChI=1/C16H26O/c1-5-16(17)15-11-14(10-9-13(15)4)8-6-7-12(2)3/h7,10,13,15H,5-6,8-9,11H2,1-4H3",C16H26O,,,,,,OUBOBKVUUOVECA-UHFFFAOYSA-N,,,,,,,,,,,
100.062.699,268-989-3,68155-77-1,"Disodium hydrogen phosphate, compound with triethylamine (1:1)","disodium hydrogen phosphate N,N-diethylethanamine (1:1)",[Na+].[Na+].CCN(CC)CC.[O-]P(=O)([O-])[O-],[Na+].[Na+].CCN(CC)CC.[O-]P(=O)([O-])[O-],"InChI=1/C6H15N.2Na.H3O4P/c1-4-7(5-2)6-3;;;1-5(2,3)4/h4-6H2,1-3H3;;;(H3,1,2,3,4)/q;2*+1;/p-3",C6H15N.H3O4P.2Na,,,,,,PCUPIGOBAPUBCR-UHFFFAOYSA-K,,,,,,,,,,,
100.064.792,271-292-7,68527-99-1,"Disodium 1,3-bis(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium dihydroxide","disodium 1,3-bis(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium dihydroxide",[OH-].[OH-].[Na+].[Na+].CCCCCCCCCCCC1N(CC(=O)O)CC[N+]1(CCO)CC(=O)O,[OH-].[OH-].[Na+].[Na+].CCCCCCCCCCCC1N(CC(=O)O)CC[N+]1(CCO)CC(=O)O,"InChI=1/C20H38N2O5.2Na.2H2O/c1-2-3-4-5-6-7-8-9-10-11-18-21(16-19(24)25)12-13-22(18,14-15-23)17-20(26)27;;;;/h18,23H,2-17H2,1H3,(H-,24,25,26,27);;;2*1H2/q;2*+1;;/p-1",C20H38N2O5.2HO.2Na,,,,,,AINDBXOZZKMALY-UHFFFAOYSA-M,,,,,,,,,,,
100.064.799,271-300-9,68540-40-9,Calcium(2+) 5-hexadecylsalicylate,calcium bis(5-hexadecyl-2-hydroxybenzoate),[Ca+2].CCCCCCCCCCCCCCCCc1ccc(O)c(c1)C(=O)[O-].CCCCCCCCCCCCCCCCc2ccc(O)c(c2)C(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCc1ccc(O)c(c1)C(=O)[O-].CCCCCCCCCCCCCCCCc2ccc(O)c(c2)C(=O)[O-],"InChI=1/2C23H38O3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26;/h2*17-19,24H,2-16H2,1H3,(H,25,26);/q;;+2/p-2",C23H38O3.1/2Ca,,,,,,SBVUPGIGCNUENE-UHFFFAOYSA-L,,,,,,,,,,,
100.064.800,271-301-4,68540-41-0,Ammonium 2-aminonaphthalene-1-sulphonate,ammonium 2-aminonaphthalene-1-sulfonate,[NH4+].Nc1ccc2ccccc2c1S(=O)(=O)[O-],[NH4+].Nc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C10H9NO3S.H3N/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6H,11H2,(H,12,13,14);1H3",C10H9NO3S.H3N,,,,,,XRQDYGCQXVUMRY-UHFFFAOYSA-N,,,,,,,,,,,
100.064.806,271-308-2,68540-62-5,tert-butyl 1-methyl-1-[isopropylphenyl]ethyl peroxide,tert-butyl 1-(2-isopropylphenyl)-1-methylethyl peroxide,CC(C)c1ccccc1C(C)(C)OOC(C)(C)C,CC(C)c1ccccc1C(C)(C)OOC(C)(C)C,"InChI=1/C16H26O2/c1-12(2)13-10-8-9-11-14(13)16(6,7)18-17-15(3,4)5/h8-12H,1-7H3",C16H26O2,,,,,,QEMOCCHONHPVPW-UHFFFAOYSA-N,,,,,,,,,,,
100.064.807,271-309-8,68540-75-0,"2-methoxy-5-nitrobenzenediazonium chloride, compound with zinc chloride","2-methoxy-5-nitrobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].COc1ccc(cc1[N+]#N)[N+](=O)[O-],[Cl-].[Cl-].[Cl-].[Zn+2].COc1ccc(cc1[N+]#N)[N+](=O)[O-],"InChI=1/C7H6N3O3.3ClH.Zn/c1-13-7-3-2-5(10(11)12)4-6(7)9-8;;;;/h2-4H,1H3;3*1H;/q+1;;;;+2/p-3",C7H6N3O3.xCl2Zn.xCl,,,,,,GYQQQBPWGBSJAT-UHFFFAOYSA-K,,,,,,,,,,,
100.064.812,271-315-0,68540-80-7,"o-nitrobenzenediazonium chloride, compound with zinc chloride","o-nitrobenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].[O-][N+](=O)c1ccccc1[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].[O-][N+](=O)c1ccccc1[N+]#N,InChI=1/C6H4N3O2.3ClH.Zn/c7-8-5-3-1-2-4-6(5)9(10)11;;;;/h1-4H;3*1H;/q+1;;;;+2/p-3,C6H4N3O2.xCl2Zn.xCl,,,,,,XYJABSRGVWZYTO-UHFFFAOYSA-K,,,,,,,,,,,
100.064.820,271-323-4,68540-88-5,N-[5-[(diethylamino)sulphonyl]-2-methoxyphenyl]acetamide,N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide,CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C)c1,CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C)c1,"InChI=1/C13H20N2O4S/c1-5-15(6-2)20(17,18)11-7-8-13(19-4)12(9-11)14-10(3)16/h7-9H,5-6H2,1-4H3,(H,14,16)",C13H20N2O4S,,,,,,WTAJWCCKAVQGJM-UHFFFAOYSA-N,,,,,,,,,,,
100.086.545,295-241-3,91904-71-1,5-(1-butylpyrrolidin-2-ylidene)-3-ethyl-2-thioxothiazolidin-4-one,"5-(1-butylpyrrolidin-2-ylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one",O=C1C(SC(=S)N1CC)=C2CCCN2CCCC,O=C1C(SC(=S)N1CC)=C2CCCN2CCCC,"InChI=1/C13H20N2OS2/c1-3-5-8-14-9-6-7-10(14)11-12(16)15(4-2)13(17)18-11/h3-9H2,1-2H3",C13H20N2OS2,,,,,,BJMYCYFLFIEAFO-UHFFFAOYSA-N,,,,,,,,,,,
100.086.552,295-249-7,91990-66-8,"5-heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one","5-heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one",CCCCCCCC1=NNC(=O)C1CCCCCC,CCCCCCCC1=NNC(=O)C1CCCCCC,"InChI=1/C16H30N2O/c1-3-5-7-9-11-13-15-14(16(19)18-17-15)12-10-8-6-4-2/h14H,3-13H2,1-2H3,(H,18,19)",C16H30N2O,,,,,,VKGWBSIXRRRLPD-UHFFFAOYSA-N,,,,,,,,,,,
100.062.707,268-998-2,68156-01-4,Potassium nonafluorobis(trifluoromethyl)cyclohexanesulphonate,"potassium 1,2,2,3,3,4,4,5,5-nonafluoro-6,6-bis(trifluoromethyl)cyclohexanesulfonate",[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C(F)(F)F,[K+].[O-]S(=O)(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C(F)(F)F,"InChI=1/C8HF15O3S.K/c9-2(10)1(7(18,19)20,8(21,22)23)6(17,27(24,25)26)5(15,16)4(13,14)3(2,11)12;/h(H,24,25,26);/q;+1/p-1",C8HF15O3S.K,,,,,,MZIIIMMEKCJHMN-UHFFFAOYSA-M,,,,,,,,,,,
100.089.243,298-214-4,93778-79-1,N-(2-aminoethyl)-N'-octylethylenediamine acetate,"N-(2-aminoethyl)-N'-octylethane-1,2-diamine acetate",CCCCCCCCNCCNCCN.CC(=O)O,CCCCCCCCNCCNCCN.CC(=O)O,"InChI=1/C12H29N3.C2H4O2/c1-2-3-4-5-6-7-9-14-11-12-15-10-8-13;1-2(3)4/h14-15H,2-13H2,1H3;1H3,(H,3,4)",C12H29N3.xC2H4O2,,,,,,QJLRWDJLXDWGDN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.247,298-219-1,93783-13-2,"N-[2-amino-4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxyphenyl]-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]hexanamide","N-(2-amino-4-{[(4-cyanophenyl)carbamoyl]amino}-5-hydroxyphenyl)-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]hexanamide",CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(O)c(NC(=O)Nc3ccc(cc3)C#N)cc2N,CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(O)c(NC(=O)Nc3ccc(cc3)C#N)cc2N,"InChI=1/C36H47N5O4/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)40-28-21-30(42)29(20-27(28)38)41-34(44)39-25-16-13-23(22-37)14-17-25/h13-21,32,42H,8-12,38H2,1-7H3,(H,40,43)(H2,39,41,44)",C36H47N5O4,,,,,,WCIDAKUHZNYJGA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.248,298-220-7,93783-14-3,"N-(1,4-dihydroxy-2-naphthyl)benzamide","N-(1,4-dihydroxy-2-naphthyl)benzamide",Oc1cc(NC(=O)c2ccccc2)c(O)c3ccccc13,Oc1cc(NC(=O)c2ccccc2)c(O)c3ccccc13,"InChI=1/C17H13NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10,19-20H,(H,18,21)",C17H13NO3,,,,,,DSMSXTOKFFSPRF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.878,300-012-9,93919-27-8,"2,6-dichloro-4-nitroanilinium chloride","2,6-dichloro-4-nitroanilinium chloride",[Cl-].[NH3+]c1c(Cl)cc(cc1Cl)[N+](=O)[O-],[Cl-].[NH3+]c1c(Cl)cc(cc1Cl)[N+](=O)[O-],"InChI=1/C6H4Cl2N2O2.ClH/c7-4-1-3(10(11)12)2-5(8)6(4)9;/h1-2H,9H2;1H",C6H4Cl2N2O2.ClH,,,,,,KBRQVBKMCXVUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.882,300-017-6,93919-31-4,1-[3-(allyloxy)-2-hydroxypropyl]imidazolidin-2-one,1-[3-(allyloxy)-2-hydroxypropyl]imidazolidin-2-one,OC(COCC=C)CN1CCNC1=O,OC(COCC=C)CN1CCNC1=O,"InChI=1/C9H16N2O3/c1-2-5-14-7-8(12)6-11-4-3-10-9(11)13/h2,8,12H,1,3-7H2,(H,10,13)",C9H16N2O3,,,,,,IFFOMWZAZSUOSU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.883,300-018-1,93919-32-5,[3-(allyloxy)-2-hydroxypropyl]urea,1-[3-(allyloxy)-2-hydroxypropyl]urea,NC(=O)NCC(O)COCC=C,NC(=O)NCC(O)COCC=C,"InChI=1/C7H14N2O3/c1-2-3-12-5-6(10)4-9-7(8)11/h2,6,10H,1,3-5H2,(H3,8,9,11)",C7H14N2O3,,,,,,JRNDWNUDOSYYQX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.884,300-019-7,93919-33-6,"7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonic acid","7-hydroxy-8-{[4-(1-{4-[(4-hydroxyphenyl)diazenyl]phenyl}cyclohexyl)phenyl]diazenyl}naphthalene-1,3-disulfonic acid",OS(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S(O)(=O)=O,OS(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S(O)(=O)=O,"InChI=1/C34H30N4O8S2/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46)",C34H30N4O8S2,,,,,,FAGWZRMPTWLSNE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.633,301-943-3,94087-52-2,Disodium dihydrogen [(dodecylimino)bis(methylene)]bisphosphonate,disodium dihydrogen [(dodecylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;/q;2*+1/p-4",C14H33NO6P2.2Na,,,,,,UOEAAHDDFGCGEC-UHFFFAOYSA-J,,,,,,,,,,,
100.092.634,301-944-9,94087-53-3,"Disodium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate","disodium dihydrogen {[(3,5,5-trimethylhexyl)imino]bis(methylene)}bis(phosphonate)",[Na+].[Na+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,[Na+].[Na+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,"InChI=1/C11H27NO6P2.2Na/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;/q;2*+1/p-4",C11H27NO6P2.2Na,,,,,,KOCVQJZDKXHOBW-UHFFFAOYSA-J,,,,,,,,,,,
100.092.636,301-947-5,94087-55-5,"Tetrasodium [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate","tetrasodium {[(3,5,5-trimethylhexyl)imino]bis(methylene)}bis(phosphonate)",[Na+].[Na+].[Na+].[Na+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,[Na+].[Na+].[Na+].[Na+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,"InChI=1/C11H27NO6P2.4Na/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4",C11H27NO6P2.4Na,,,,,,QHAFCOFPFIVMIV-UHFFFAOYSA-J,,,,,,,,,,,
100.092.640,301-951-7,94087-59-9,"5,6-dihydro-5-methyl-4-(methylamino)-6-thioxo-1,3,5-triazin-2(1H)-one","5-methyl-4-(methylamino)-6-thioxo-5,6-dihydro-1,3,5-triazin-2(1H)-one",CNC1=NC(=O)NC(=S)N1C,CNC1=NC(=O)NC(=S)N1C,"InChI=1/C5H8N4OS/c1-6-3-7-4(10)8-5(11)9(3)2/h1-2H3,(H2,6,7,8,10,11)",C5H8N4OS,,,,,,BYOYDHDHEZRAKM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.642,301-953-8,94087-61-3,"1-[(2,3-dihydro-3-oxo-1H-indazol-6-yl)amino]-1-oxohexadecane-2-sulphonic acid","1-oxo-1-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]hexadecane-2-sulfonic acid",CCCCCCCCCCCCCCC(C(=O)Nc1ccc2C(=O)NNc2c1)S(=O)(=O)O,CCCCCCCCCCCCCCC(C(=O)Nc1ccc2C(=O)NNc2c1)S(=O)(=O)O,"InChI=1/C23H37N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(32(29,30)31)23(28)24-18-15-16-19-20(17-18)25-26-22(19)27/h15-17,21H,2-14H2,1H3,(H,24,28)(H2,25,26,27)(H,29,30,31)",C23H37N3O5S,,,,,,KXLNPBBGUOLIEI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.733,302-053-8,94088-52-5,Sodium 2-[[(2-oleoylethyl)amino]carbonyl]benzoate,sodium 2-[(3-oxoicos-11-en-1-yl)carbamoyl]benzoate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)CCNC(=O)c1ccccc1C(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)CCNC(=O)c1ccccc1C(=O)[O-],"InChI=1/C28H43NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(30)22-23-29-27(31)25-20-17-18-21-26(25)28(32)33;/h9-10,17-18,20-21H,2-8,11-16,19,22-23H2,1H3,(H,29,31)(H,32,33);/q;+1/p-1",C28H43NO5.Na,,,,,,DIXVAIQSJHDFAV-KVVVOXFISA-M,,,,,,,,,,,
100.092.739,302-060-6,94088-58-1,Sodium 2-[(phenylsulphonyl)amino]benzoate,sodium 2-[(phenylsulfonyl)amino]benzoate,[Na+].[O-]C(=O)c1ccccc1NS(=O)(=O)c2ccccc2,[Na+].[O-]C(=O)c1ccccc1NS(=O)(=O)c2ccccc2,"InChI=1/C13H11NO4S.Na/c15-13(16)11-8-4-5-9-12(11)14-19(17,18)10-6-2-1-3-7-10;/h1-9,14H,(H,15,16);/q;+1/p-1",C13H11NO4S.Na,,,,,,WFIUDZBQRMFNGH-UHFFFAOYSA-M,,,,,,,,,,,
100.092.740,302-061-1,94088-59-2,"3-benzyl-1-decyl-4,5-dihydro-1H-imidazolium chloride",3-benzyl-1-decylimidazolidin-1-ium chloride,[Cl-].CCCCCCCCCC[NH+]1CCN(Cc2ccccc2)C1,[Cl-].CCCCCCCCCC[NH+]1CCN(Cc2ccccc2)C1,"InChI=1/C20H34N2.ClH/c1-2-3-4-5-6-7-8-12-15-21-16-17-22(19-21)18-20-13-10-9-11-14-20;/h9-11,13-14H,2-8,12,15-19H2,1H3;1H",C20H33N2.Cl,,,,,,YLYNHRUXTWGICK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.503,298-500-9,93805-18-6,"Methyl N-[5-(acetylamino)-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-ethyl-ß-alaninate","methyl N-{5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}-N-ethyl-beta-alaninate",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC(=O)OC)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC(=O)OC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H23ClN6O8/c1-5-26(7-6-20(30)36-4)17-10-15(23-12(2)29)16(11-19(17)35-3)24-25-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11H,5-7H2,1-4H3,(H,23,29)",C21H23ClN6O8,,,,,,QNBFBSBKIRJEOT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.983,300-127-4,93920-41-3,"4-amino-3-[[4'-[(2,4-dihydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","4-amino-3-({4'-[(2,4-dihydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Oc6cc(O)ccc6N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S(O)(=O)=O)c(O)c3c4N)S(O)(=O)=O)S(O)(=O)=O)cc5,Oc6cc(O)ccc6N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S(O)(=O)=O)c(O)c3c4N)S(O)(=O)=O)S(O)(=O)=O)cc5,"InChI=1/C34H25N7O12S3/c35-31-30-20(16-29(56(51,52)53)33(34(30)44)41-38-23-9-12-25(13-10-23)54(45,46)47)15-28(55(48,49)50)32(31)40-37-22-7-3-19(4-8-22)18-1-5-21(6-2-18)36-39-26-14-11-24(42)17-27(26)43/h1-17,42-44H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)",C34H25N7O12S3,,,,,,NUELWJVIGMYJMX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.984,300-129-5,93920-42-4,"4-amino-3-[[4'-[(8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","4-amino-3-({4'-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthyl)diazenyl]biphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)c7cc1cc(cc(N)c1c(O)c7N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c(N)c6c(cc4S(O)(=O)=O)cc(c(N=Nc5ccc(cc5)S(O)(=O)=O)c6O)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)c7cc1cc(cc(N)c1c(O)c7N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c(N)c6c(cc4S(O)(=O)=O)cc(c(N=Nc5ccc(cc5)S(O)(=O)=O)c6O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C38H28N8O17S5/c39-27-17-26(65(52,53)54)13-20-14-29(67(58,59)60)35(37(47)31(20)27)45-42-23-7-3-19(4-8-23)18-1-5-22(6-2-18)41-44-34-28(66(55,56)57)15-21-16-30(68(61,62)63)36(38(48)32(21)33(34)40)46-43-24-9-11-25(12-10-24)64(49,50)51/h1-17,47-48H,39-40H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)",C38H28N8O17S5,,,,,,DHWSFKBCIYZHDH-UHFFFAOYSA-N,,,,,,,,,,,
100.090.986,300-131-6,93920-44-6,"Heptasodium heptahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diyl[(phosphonomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",-,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OP(=O)(O)CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)(O)O)CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OP(=O)(O)CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)(O)O)CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.7Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;/q;7*+1/p-10",C15H44N5O21P7.7Na,,,,,,RWKUNNAIHWTFFH-UHFFFAOYSA-D,,,,,,,,,,,
100.090.991,300-136-3,93921-09-6,Sodium isobutyl 2-tetrapropenylsuccinate,"sodium 2,2,3-triallyl-3-(isobutoxycarbonyl)hex-5-enoate",[Na+].CC(C)COC(=O)C(CC=C)(CC=C)C(CC=C)(CC=C)C(=O)[O-],[Na+].CC(C)COC(=O)C(CC=C)(CC=C)C(CC=C)(CC=C)C(=O)[O-],"InChI=1/C20H30O4.Na/c1-7-11-19(12-8-2,17(21)22)20(13-9-3,14-10-4)18(23)24-15-16(5)6;/h7-10,16H,1-4,11-15H2,5-6H3,(H,21,22);/q;+1/p-1",C20H36O4.Na,,,,,,YJPWQLLGLVVBQU-UHFFFAOYSA-M,,,,,,,,,,,
100.090.995,300-141-0,93922-04-4,Barium 4-dodecylphenolate,barium bis(4-dodecylphenolate),[Ba+2].CCCCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCCCc2ccc([O-])cc2,[Ba+2].CCCCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCCCc2ccc([O-])cc2,"InChI=1/2C18H30O.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17;/h2*13-16,19H,2-12H2,1H3;/q;;+2/p-2",C18H30O.1/2Ba,,,,,,ALOLCXGUQMXLCJ-UHFFFAOYSA-L,,,,,,,,,,,
100.091.406,300-592-3,93942-40-6,"Trisodium 3-hydroxy-4-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 3-hydroxy-4-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H12N2O10S3.3Na/c19-16-14(31(26,27)28)8-9-7-10(29(20,21)22)5-6-11(9)15(16)18-17-12-3-1-2-4-13(12)30(23,24)25;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",C16H12N2O10S3.3Na,,,,,,SWMCKJIABYCPRD-UHFFFAOYSA-K,,,,,,,,,,,
100.091.318,300-496-1,93940-97-7,"3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]propiononitrile","3-[(3-{[(2-cyanoethyl)amino]methyl}-3,5,5-trimethylcyclohexyl)amino]propanenitrile",CC1(C)CC(CC(C)(CNCCC#N)C1)NCCC#N,CC1(C)CC(CC(C)(CNCCC#N)C1)NCCC#N,"InChI=1/C16H28N4/c1-15(2)10-14(20-9-5-7-18)11-16(3,12-15)13-19-8-4-6-17/h14,19-20H,4-5,8-13H2,1-3H3",C16H28N4,,,,,,HEUAYLFWKXGPEA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.325,300-503-8,93941-04-9,"5-[[4-chloro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","5-({4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc4ccccc4C)n5,Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc4ccccc4C)n5,"InChI=1/C26H20ClN7O10S3/c1-13-6-2-3-7-16(13)28-25-30-24(27)31-26(32-25)29-18-12-15(45(36,37)38)10-14-11-20(47(42,43)44)22(23(35)21(14)18)34-33-17-8-4-5-9-19(17)46(39,40)41/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32)",C26H20ClN7O10S3,,,,,,RGYRTBCWFPJLQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.330,300-509-0,93941-60-7,"5-(benzoylamino)-3-[[3-[4-(tert-butyl)phenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-(benzoylamino)-3-{[3-(4-tert-butylphenoxy)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4cccc(Oc3ccc(cc3)C(C)(C)C)c4)S(O)(=O)=O,OS(=O)(=O)c5cc2cc(cc(NC(=O)c1ccccc1)c2c(O)c5N=Nc4cccc(Oc3ccc(cc3)C(C)(C)C)c4)S(O)(=O)=O,"InChI=1/C33H29N3O9S2/c1-33(2,3)22-12-14-24(15-13-22)45-25-11-7-10-23(18-25)35-36-30-28(47(42,43)44)17-21-16-26(46(39,40)41)19-27(29(21)31(30)37)34-32(38)20-8-5-4-6-9-20/h4-19,37H,1-3H3,(H,34,38)(H,39,40,41)(H,42,43,44)",C33H29N3O9S2,,,,,,RWDAFZOLLQQDPI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.246,301-517-7,94022-22-7,"2,5,6-triisopropyl-m-cresol","2,3,6-triisopropyl-5-methylphenol",CC(C)c1cc(C)c(C(C)C)c(O)c1C(C)C,CC(C)c1cc(C)c(C(C)C)c(O)c1C(C)C,"InChI=1/C16H26O/c1-9(2)13-8-12(7)14(10(3)4)16(17)15(13)11(5)6/h8-11,17H,1-7H3",C16H26O,,,,,,OHWKAUYBGVQXAX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.249,301-520-3,94022-25-0,"4-amino-N-[4-[2,4-bis(1,1-dimethylethyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide","4-amino-N-[4-(2,4-di-tert-butylphenoxy)butyl]-1-hydroxy-2-naphthamide",CC(C)(C)c1ccc(OCCCCNC(=O)c2cc(N)c3ccccc3c2O)c(c1)C(C)(C)C,CC(C)(C)c1ccc(OCCCCNC(=O)c2cc(N)c3ccccc3c2O)c(c1)C(C)(C)C,"InChI=1/C29H38N2O3/c1-28(2,3)19-13-14-25(23(17-19)29(4,5)6)34-16-10-9-15-31-27(33)22-18-24(30)20-11-7-8-12-21(20)26(22)32/h7-8,11-14,17-18,32H,9-10,15-16,30H2,1-6H3,(H,31,33)",C29H38N2O3,,,,,,QPKGVCZMJWKEHI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.426,298-415-7,93804-40-1,"Benzenesulfonic acid, 2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt, compd. with 2,2'-iminobis[ethanol]","sodium 2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}-5-({4-morpholin-4-yl-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate - 2,2'-iminodiethanol (1:1)",[Na+].OCCNCCO.OS(=O)(=O)c1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)Nc7ccc(C=Cc4ccc(cc4S(O)(=O)=O)Nc5nc(nc(n5)N(CCO)CCO)N6CCOCC6)c(c7)S([O-])(=O)=O,[Na+].OCCNCCO.OS(=O)(=O)c1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)Nc7ccc(C=Cc4ccc(cc4S(O)(=O)=O)Nc5nc(nc(n5)N(CCO)CCO)N6CCOCC6)c(c7)S([O-])(=O)=O,"InChI=1/C38H44N12O13S3.C4H11NO2.Na/c51-17-11-48(12-18-52)37-45-35(46-38(47-37)50-15-21-63-22-16-50)41-29-6-4-26(32(24-29)66(59,60)61)2-1-25-3-5-28(23-31(25)65(56,57)58)40-34-42-33(43-36(44-34)49-13-19-62-20-14-49)39-27-7-9-30(10-8-27)64(53,54)55;6-3-1-5-2-4-7;/h1-10,23-24,51-52H,11-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,41,45,46,47)(H2,39,40,42,43,44);5-7H,1-4H2;/q;;+1/p-1",C38H44N12O13S3.xC4H11NO2.xNa,,,,,,JGFIJDDSJSTRGD-UHFFFAOYSA-M,,,,,,,,,,,
100.089.427,298-416-2,93804-41-2,"7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulphonic acid","7-({2-(carbamoylamino)-4-[(2,3-dibromopropanoyl)amino]phenyl}diazenyl)naphthalene-1,3-disulfonic acid",BrC(CBr)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O)c(c3)NC(N)=O,BrC(CBr)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O)c(c3)NC(N)=O,"InChI=1/C20H17Br2N5O8S2/c21-9-15(22)19(28)24-11-3-4-16(17(7-11)25-20(23)29)27-26-12-2-1-10-5-13(36(30,31)32)8-18(14(10)6-12)37(33,34)35/h1-8,15H,9H2,(H,24,28)(H3,23,25,29)(H,30,31,32)(H,33,34,35)",C20H17Br2N5O8S2,,,,,,GBBWRQRYVUWYQR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.428,298-417-8,93804-42-3,"Sodium 4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-chloro-3-{4-[(3-formylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(C=O)ccc2)C3=O,[Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(C=O)ccc2)C3=O,"InChI=1/C17H13ClN4O5S.Na/c1-10-16(20-19-12-4-2-3-11(7-12)9-23)17(24)22(21-10)15-8-13(28(25,26)27)5-6-14(15)18;/h2-9,16H,1H3,(H,25,26,27);/q;+1/p-1",C17H13ClN4O5S.Na,,,,,,QYQNJMDSCFOQHH-UHFFFAOYSA-M,,,,,,,,,,,
100.062.712,269-003-4,68156-09-2,(chlorophenyl)[[(chlorophenyl)thio]phenyl]phenylsulphonium hexafluorophosphate(1-),(2-chlorophenyl){2-[(2-chlorophenyl)sulfanyl]phenyl}phenylsulfonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.Clc1ccccc1Sc2ccccc2[S+](c3ccccc3)c4ccccc4Cl,F[P-](F)(F)(F)(F)F.Clc1ccccc1Sc2ccccc2[S+](c3ccccc3)c4ccccc4Cl,"InChI=1/C24H17Cl2S2.F6P/c25-19-12-4-6-14-21(19)27-22-15-7-9-17-24(22)28(18-10-2-1-3-11-18)23-16-8-5-13-20(23)26;1-7(2,3,4,5)6/h1-17H;/q+1;-1",C24H17Cl2S2.F6P,,,,,,VMCDLVNAAHQBKT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.714,269-006-0,68156-13-8,Diphenyl[(phenylthio)phenyl]sulphonium hexafluorophosphate(1-),diphenyl[2-(phenylsulfanyl)phenyl]sulfonium hexafluorophosphate,F[P-](F)(F)(F)(F)F.S(c1ccccc1)c2ccccc2[S+](c3ccccc3)c4ccccc4,F[P-](F)(F)(F)(F)F.S(c1ccccc1)c2ccccc2[S+](c3ccccc3)c4ccccc4,"InChI=1/C24H19S2.F6P/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-7(2,3,4,5)6/h1-19H;/q+1;-1",C24H19S2.F6P,,,,,,SFWSATMGMAKCIF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.721,269-013-9,68167-84-0,"2-methyl-1,4,7,10,13-pentaoxacyclopentadecane","2-methyl-1,4,7,10,13-pentaoxacyclopentadecane",CC1COCCOCCOCCOCCO1,CC1COCCOCCOCCOCCO1,"InChI=1/C11H22O5/c1-11-10-15-7-6-13-3-2-12-4-5-14-8-9-16-11/h11H,2-10H2,1H3",C11H22O5,,,,,,SAKBPRPEERBQLX-UHFFFAOYSA-N,,,,,,,,,,,
100.062.732,269-025-4,68171-36-8,Ethyloctanedioyl dichloride,2-ethyloctanedioyl dichloride,CCC(CCCCCC(=O)Cl)C(=O)Cl,CCC(CCCCCC(=O)Cl)C(=O)Cl,"InChI=1/C10H16Cl2O2/c1-2-8(10(12)14)6-4-3-5-7-9(11)13/h8H,2-7H2,1H3",C10H16Cl2O2,,,,,,KTLDDJJTQKMYFY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.742,269-036-4,68186-31-2,"1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester",4-{[(2-ethylhexyl)oxy]carbonyl}isophthalic acid,CCCCC(CC)COC(=O)c1ccc(cc1C(=O)O)C(=O)O,CCCCC(CC)COC(=O)c1ccc(cc1C(=O)O)C(=O)O,"InChI=1/C17H22O6/c1-3-5-6-11(4-2)10-23-17(22)13-8-7-12(15(18)19)9-14(13)16(20)21/h7-9,11H,3-6,10H2,1-2H3,(H,18,19)(H,20,21)",-,,,,,,BPAVWKYYIPGEQX-UHFFFAOYSA-N,,,,,,,,,,,
100.064.835,271-340-7,68541-07-1,"1-(bis(2-(1,3-dimethylbutylideneamino)ethyl)amino)-3-phenoxypropan-2-ol","1-(bis{2-[(1,3-dimethylbutylidene)amino]ethyl}amino)-3-phenoxypropan-2-ol",CC(C)CC(C)=NCCN(CCN=C(C)CC(C)C)CC(O)COc1ccccc1,CC(C)CC(C)=NCCN(CCN=C(C)CC(C)C)CC(O)COc1ccccc1,"InChI=1/C25H43N3O2/c1-20(2)16-22(5)26-12-14-28(15-13-27-23(6)17-21(3)4)18-24(29)19-30-25-10-8-7-9-11-25/h7-11,20-21,24,29H,12-19H2,1-6H3",C25H43N3O2,,,,,,JSDNIAKHCKUYDD-UHFFFAOYSA-N,,,,,,,,,,,
100.064.837,271-342-8,68541-11-7,Dipotassium tridecan-1-yl phosphate,dipotassium tridecyl phosphate,[K+].[K+].CCCCCCCCCCCCCOP(=O)([O-])[O-],[K+].[K+].CCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C13H29O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;;/h2-13H2,1H3,(H2,14,15,16);;/q;2*+1/p-2",C13H29O4P.2K,,,,,,BAQMXNHOFSFWHH-UHFFFAOYSA-L,,,,,,,,,,,
100.064.839,271-344-9,68541-19-5,"2,2'-[(1-methylethylidene)bis[(3,5-dibromo-4,1-phenylene)oxymethylene]]bisoxirane","2,2'-{propane-2,2-diylbis[(3,5-dibromo-4,1-phenylene)oxymethylene]}dioxirane",CC(C)(c1c(Br)cc(OCC2CO2)cc1Br)c3c(Br)cc(OCC4CO4)cc3Br,CC(C)(c1c(Br)cc(OCC2CO2)cc1Br)c3c(Br)cc(OCC4CO4)cc3Br,"InChI=1/C21H20Br4O4/c1-21(2,19-15(22)3-11(4-16(19)23)26-7-13-9-28-13)20-17(24)5-12(6-18(20)25)27-8-14-10-29-14/h3-6,13-14H,7-10H2,1-2H3",C21H20Br4O4,,,,,,JOXXKTSUXPMMOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.064.852,271-359-0,68551-07-5,"Alcohols, C8-18",dodecan-1-ol,CCCCCCCCCCCCO,CCCCCCCCCCCCO,"InChI=1/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",-,,,,,,LQZZUXJYWNFBMV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.130,274-966-9,70867-60-6,"6-methoxy-2,5-dimethylbenzoselenazole","6-methoxy-2,5-dimethyl-1,3-benzoselenazole",COc1cc2[Se]C(=Nc2cc1C)C,COc1cc2[Se]C(=Nc2cc1C)C,"InChI=1/C10H11NOSe/c1-6-4-8-10(5-9(6)12-3)13-7(2)11-8/h4-5H,1-3H3",C10H11NOSe,,,,,,XHFBCBAWEIZLHY-UHFFFAOYSA-N,,,,,,,,,,,
100.062.879,269-188-1,68189-31-1,"4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulphonic acid","4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid",Nc1cccc(c1)C(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,Nc1cccc(c1)C(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C17H14N2O8S2/c18-11-3-1-2-9(4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)",C17H14N2O8S2,,,,,,MLHWJIBYLDMVLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.880,269-189-7,68189-32-2,6-acetamidonaphthalene-2-sulphonic acid,6-acetamidonaphthalene-2-sulfonic acid,CC(=O)Nc1ccc2cc(ccc2c1)S(=O)(=O)O,CC(=O)Nc1ccc2cc(ccc2c1)S(=O)(=O)O,"InChI=1/C12H11NO4S/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11/h2-7H,1H3,(H,13,14)(H,15,16,17)",C12H11NO4S,,,,,,ANUPUAXCNMXHNF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.881,269-190-2,68189-33-3,4-hydroxy-7-[(1-oxodecyl)amino]naphthalene-2-sulphonic acid,7-(decanoylamino)-4-hydroxynaphthalene-2-sulfonic acid,CCCCCCCCCC(=O)Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,CCCCCCCCCC(=O)Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,"InChI=1/C20H27NO5S/c1-2-3-4-5-6-7-8-9-20(23)21-16-10-11-18-15(12-16)13-17(14-19(18)22)27(24,25)26/h10-14,22H,2-9H2,1H3,(H,21,23)(H,24,25,26)",C20H27NO5S,,,,,,XMKRRRYSJWEMTR-UHFFFAOYSA-N,,,,,,,,,,,
100.062.884,269-193-9,68189-36-6,N-[3-[bis(2-hydroxyethyl)amino]phenyl]propionamide,N-{3-[bis(2-hydroxyethyl)amino]phenyl}propanamide,CCC(=O)Nc1cccc(c1)N(CCO)CCO,CCC(=O)Nc1cccc(c1)N(CCO)CCO,"InChI=1/C13H20N2O3/c1-2-13(18)14-11-4-3-5-12(10-11)15(6-8-16)7-9-17/h3-5,10,16-17H,2,6-9H2,1H3,(H,14,18)",C13H20N2O3,,,,,,YDTRGLRXKJCCLV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.650,301-962-7,94087-69-1,"2-amino-1-dodecyl-1,5-dihydro-4H-imidazol-4-one","2-amino-1-dodecyl-1,5-dihydro-4H-imidazol-4-one",CCCCCCCCCCCCN1CC(=O)N=C1N,CCCCCCCCCCCCN1CC(=O)N=C1N,"InChI=1/C15H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14(19)17-15(18)16/h2-13H2,1H3,(H2,16,17,19)",C15H29N3O,,,,,,KVCDEHQTTHXOFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.651,301-963-2,94087-70-4,"2-amino-1,5-dihydro-1-tetradecyl-4H-imidazol-4-one","2-amino-1-tetradecyl-1,5-dihydro-4H-imidazol-4-one",CCCCCCCCCCCCCCN1CC(=O)N=C1N,CCCCCCCCCCCCCCN1CC(=O)N=C1N,"InChI=1/C17H33N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16(21)19-17(20)18/h2-15H2,1H3,(H2,18,19,21)",C17H33N3O,,,,,,XAUQFULFIOXQEE-UHFFFAOYSA-N,,,,,,,,,,,
100.087.779,296-601-2,92814-52-3,"2'-[(2-chlorophenyl)amino]-6'-[ethyl(3-methylbutyl)amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-[(2-chlorophenyl)amino]-6'-[ethyl(3-methylbutyl)amino]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CCC(C)C)c1ccc2c(Oc3ccc(Nc4ccccc4Cl)cc3C25OC(=O)c6ccccc56)c1,CCN(CCC(C)C)c1ccc2c(Oc3ccc(Nc4ccccc4Cl)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C33H31ClN2O3/c1-4-36(18-17-21(2)3)23-14-15-26-31(20-23)38-30-16-13-22(35-29-12-8-7-11-28(29)34)19-27(30)33(26)25-10-6-5-9-24(25)32(37)39-33/h5-16,19-21,35H,4,17-18H2,1-3H3",C33H31ClN2O3,,,,,,GIQNBVYTNXNYCR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.893,300-029-1,93919-44-9,3-[(2-amino-1H-purin-6-yl)thio]propionic acid,3-[(2-amino-1H-purin-6-yl)sulfanyl]propanoic acid,Nc1nc2ncnc2c(SCCC(=O)O)[nH]1,Nc1nc2ncnc2c(SCCC(=O)O)[nH]1,"InChI=1/C8H9N5O2S/c9-8-12-6-5(10-3-11-6)7(13-8)16-2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13)",C8H9N5O2S,,,,,,AGEPYGNRWZRUOT-UHFFFAOYSA-N,,,,,,,,,,,
100.090.894,300-030-7,93919-46-1,"2,3,5-triphenyl-2H-tetrazolium chloride monohydrochloride","2,3,5-triphenyl-2H-tetrazol-3-ium chloride hydrochloride",Cl.[Cl-].c1ccc(cc1)c2n[n+](c3ccccc3)n(n2)c4ccccc4,Cl.[Cl-].c1ccc(cc1)c2n[n+](c3ccccc3)n(n2)c4ccccc4,InChI=1/C19H15N4.2ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;;/h1-15H;2*1H/q+1;;/p-1,C19H15N4.ClH.Cl,,,,,,BMTXEJXKIQUFCB-UHFFFAOYSA-M,,,,,,,,,,,
100.090.910,300-048-5,93919-63-2,"Phosphoric acid, 2-methylpropyl ester, compd. with 2,2'-iminobis[ethanol]","isobutyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CC(C)COP(=O)(O)O.OCCNCCO,CC(C)COP(=O)(O)O.OCCNCCO,"InChI=1/C4H11NO2.C4H11O4P/c6-3-1-5-2-4-7;1-4(2)3-8-9(5,6)7/h5-7H,1-4H2;4H,3H2,1-2H3,(H2,5,6,7)",-,,,,,,JCRDTYVONXJDRV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.911,300-049-0,93919-64-3,"Phosphoric acid, 2-methylpropyl ester, compd. with 2,2',2''-nitrilotris[ethanol]","isobutyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CC(C)COP(=O)(O)O.OCCN(CCO)CCO,CC(C)COP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C6H15NO3.C4H11O4P/c8-4-1-7(2-5-9)3-6-10;1-4(2)3-8-9(5,6)7/h8-10H,1-6H2;4H,3H2,1-2H3,(H2,5,6,7)",-,,,,,,ARVPFNPNVKBKTF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.912,300-050-6,93919-67-6,"3',6'-dihydroxy-4',5'-diiodo-2',7'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","3',6'-dihydroxy-4',5'-diiodo-2',7'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Cc1cc2c(Oc3c(I)c(O)c(C)cc3C24OC(=O)c5ccccc45)c(I)c1O,Cc1cc2c(Oc3c(I)c(O)c(C)cc3C24OC(=O)c5ccccc45)c(I)c1O,"InChI=1/C22H14I2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3",C22H14I2O5,,,,,,RPSDBCNTVXHSII-UHFFFAOYSA-N,,,,,,,,,,,
100.090.915,300-053-2,93919-70-1,"Pentaammonium pentahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",pentaammonium pentahydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.5H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);5*1H3/p-5",C9H28N3O15P5.5H3N,,,,,,UUQGMDZBPMYQTE-UHFFFAOYSA-I,,,,,,,,,,,
100.090.920,300-059-5,93919-75-6,"Hexasodium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","hexasodium hexahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.6Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;/q;6*+1/p-12",C12H36N4O18P6.6Na,,,,,,IZLHOACPFJBAGJ-UHFFFAOYSA-B,,,,,,,,,,,
100.092.659,301-972-1,94087-78-2,"2-[[(1,2-benzisothiazol-3-yloxy)methyl]methylamino]ethanol","2-{[(1,2-benzisothiazol-3-yloxy)methyl](methyl)amino}ethanol",CN(CCO)COc1nsc2ccccc12,CN(CCO)COc1nsc2ccccc12,"InChI=1/C11H14N2O2S/c1-13(6-7-14)8-15-11-9-4-2-3-5-10(9)16-12-11/h2-5,14H,6-8H2,1H3",C11H14N2O2S,,,,,,NUJYXMDEPJKZDB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.413,300-600-5,93942-47-3,1-[5-(tert-butyl)-2-methylphenyl]-2-buten-1-one,1-(5-tert-butyl-2-methylphenyl)but-2-en-1-one,O=C(C=CC)c1cc(ccc1C)C(C)(C)C,O=C(C=CC)c1cc(ccc1C)C(C)(C)C,"InChI=1/C15H20O/c1-6-7-14(16)13-10-12(15(3,4)5)9-8-11(13)2/h6-10H,1-5H3",C15H20O,,,,,,VJEAIPXARJXWIU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.417,300-604-7,93942-51-9,"1-(4,7,7-trimethylbicyclo[4.1.0]hept-3-en-3-yl)-2-buten-1-one","1-(4,7,7-trimethylbicyclo[4.1.0]hept-3-en-3-yl)but-2-en-1-one",CC2(C)C1CC(/C)=C(\\CC12)C(=O)C=CC,CC2(C)C1CC(/C)=C(\CC12)C(=O)C=CC,"InChI=1/C14H20O/c1-5-6-13(15)10-8-12-11(7-9(10)2)14(12,3)4/h5-6,11-12H,7-8H2,1-4H3",C14H20O,,,,,,VRAUAPMNLFSVNI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.428,300-616-2,93942-62-2,"4,4'-[ethylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(4-sulpho-3,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic] acid","4,4'-{ethane-1,2-diylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(4-sulfo-3,1-phenylene)imino]}bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid)",Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Nc6ccc(CCc7ccc(Nc8nc(Cl)nc(Nc9cc(Nc%10cc(c(N)c%11C(=O)c%12ccccc%12C(=O)c%10%11)S(=O)(=O)O)ccc9S(=O)(=O)O)n8)cc7S(=O)(=O)O)c(c6)S(=O)(=O)O)n5)c4)S(=O)(=O)O)cc1S(=O)(=O)O,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Nc6ccc(CCc7ccc(Nc8nc(Cl)nc(Nc9cc(Nc%10cc(c(N)c%11C(=O)c%12ccccc%12C(=O)c%10%11)S(=O)(=O)O)ccc9S(=O)(=O)O)n8)cc7S(=O)(=O)O)c(c6)S(=O)(=O)O)n5)c4)S(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C60H42Cl2N14O22S6/c61-55-71-57(75-59(73-55)69-35-19-27(15-17-39(35)99(81,82)83)65-37-23-43(103(93,94)95)49(63)47-45(37)51(77)31-5-1-3-7-33(31)53(47)79)67-29-13-11-25(41(21-29)101(87,88)89)9-10-26-12-14-30(22-42(26)102(90,91)92)68-58-72-56(62)74-60(76-58)70-36-20-28(16-18-40(36)100(84,85)86)66-38-24-44(104(96,97)98)50(64)48-46(38)52(78)32-6-2-4-8-34(32)54(48)80/h1-8,11-24,65-66H,9-10,63-64H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,67,69,71,73,75)(H2,68,70,72,74,76)",C60H40Cl2N14O22S6,,,,,,GUFGTZMFDCOLOE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.432,300-620-4,93942-66-6,"7,7'-[(2,2'-disulpho[1,1'-biphenyl]-4,4'-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(carbamoylamino)-4,1-phenylene]azo]]bis(naphthalene-1,3,6-trisulphonic) acid","7,7'-[(2,2'-disulfobiphenyl-4,4'-diyl)bis{imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(carbamoylamino)-4,1-phenylene]diazene-2,1-diyl}]dinaphthalene-1,3,6-trisulfonic acid",O=S(O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(=O)N)Nc4nc(nc(Cl)n4)Nc5ccc(c(c5)S(O)(=O)=O)c6ccc(cc6S(O)(=O)=O)Nc%10nc(Nc9cc(NC(N)=O)c(N=Nc7cc8c(cc(cc8cc7S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc9)nc(Cl)n%10)S(=O)(O)=O)S(=O)(O)=O,O=S(O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(=O)N)Nc4nc(nc(Cl)n4)Nc5ccc(c(c5)S(O)(=O)=O)c6ccc(cc6S(O)(=O)=O)Nc%10nc(Nc9cc(NC(N)=O)c(N=Nc7cc8c(cc(cc8cc7S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc9)nc(Cl)n%10)S(=O)(O)=O)S(=O)(O)=O,"InChI=1/C52H38Cl2N18O26S8/c53-45-63-49(57-23-3-7-33(35(13-23)61-47(55)73)69-71-37-19-31-21(11-43(37)105(93,94)95)9-27(99(75,76)77)17-41(31)103(87,88)89)67-51(65-45)59-25-1-5-29(39(15-25)101(81,82)83)30-6-2-26(16-40(30)102(84,85)86)60-52-66-46(54)64-50(68-52)58-24-4-8-34(36(14-24)62-48(56)74)70-72-38-20-32-22(12-44(38)106(96,97)98)10-28(100(78,79)80)18-42(32)104(90,91)92/h1-20H,(H3,55,61,73)(H3,56,62,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,57,59,63,65,67)(H2,58,60,64,66,68)",C52H38Cl2N18O26S8,,,,,,QQLRAOUUQHSXIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.433,300-622-5,93942-67-7,"1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[6-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-","4,4'-{ethene-1,2-diylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis{6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzene-1,3-disulfonic acid}",C\\C8=C(/C(=O)N)C(=O)N(CC)C(\\O)=C8\\N=Nc7cc(Nc1nc(nc(Cl)n1)Nc6ccc(C=Cc2ccc(cc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc5cc(N=N/C4=C(\\O)N(CC)C(=O)/C(=C4/C)C(N)=O)c(cc5S(O)(=O)=O)S(O)(=O)=O)c(c6)S(O)(=O)=O)c(cc7S(O)(=O)=O)S(O)(=O)=O,C\C8=C(/C(=O)N)C(=O)N(CC)C(\O)=C8\N=Nc7cc(Nc1nc(nc(Cl)n1)Nc6ccc(C=Cc2ccc(cc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc5cc(N=N/C4=C(\O)N(CC)C(=O)/C(=C4/C)C(N)=O)c(cc5S(O)(=O)=O)S(O)(=O)=O)c(c6)S(O)(=O)=O)c(cc7S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C50H44Cl2N18O24S6/c1-5-69-41(73)35(39(53)71)19(3)37(43(69)75)67-65-27-15-25(31(97(83,84)85)17-33(27)99(89,90)91)57-49-61-45(51)59-47(63-49)55-23-11-9-21(29(13-23)95(77,78)79)7-8-22-10-12-24(14-30(22)96(80,81)82)56-48-60-46(52)62-50(64-48)58-26-16-28(34(100(92,93)94)18-32(26)98(86,87)88)66-68-38-20(4)36(40(54)72)42(74)70(6-2)44(38)76/h7-18,75-76H,5-6H2,1-4H3,(H2,53,71)(H2,54,72)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64)",C50H44Cl2N18O24S6,,,,,,BKAVGOZWVVRCFE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.435,300-624-6,93942-69-9,[3-(dodecyloxy)-2-hydroxypropyl]dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"3-(dodecyloxy)-2-hydroxy-N-[2-(methacryloyloxy)ethyl]-N,N-dimethylpropan-1-aminium chloride",[Cl-].CCCCCCCCCCCCOCC(O)C[N+](C)(C)CCOC(=O)C(=C)C,[Cl-].CCCCCCCCCCCCOCC(O)C[N+](C)(C)CCOC(=O)C(=C)C,"InChI=1/C23H46NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-17-27-20-22(25)19-24(4,5)16-18-28-23(26)21(2)3;/h22,25H,2,6-20H2,1,3-5H3;1H/q+1;/p-1",C23H46NO4.Cl,,,,,,XOMIGPCQFPTNGG-UHFFFAOYSA-M,,,,,,,,,,,
100.092.745,302-066-9,94088-65-0,Ethyl [(3-oxopropyl)thio]acetate,ethyl [(3-oxopropyl)sulfanyl]acetate,CCOC(=O)CSCCC=O,CCOC(=O)CSCCC=O,"InChI=1/C7H12O3S/c1-2-10-7(9)6-11-5-3-4-8/h4H,2-3,5-6H2,1H3",C7H12O3S,,,,,,JKLATJRPTDVTHX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.430,298-419-9,93804-44-5,"Disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2-bromo-1-oxoallyl)amino]phenyl]azo]naphthalene-1,3-disulphonate","disodium 7-({4-[(2-bromoacryloyl)amino]-2-(carbamoylamino)phenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].BrC(=C)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(c3)NC(N)=O,[Na+].[Na+].BrC(=C)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(c3)NC(N)=O,"InChI=1/C20H16BrN5O8S2.2Na/c1-10(21)19(27)23-12-4-5-16(17(8-12)24-20(22)28)26-25-13-3-2-11-6-14(35(29,30)31)9-18(15(11)7-13)36(32,33)34;;/h2-9H,1H2,(H,23,27)(H3,22,24,28)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",C20H16BrN5O8S2.2Na,,,,,,MAJZSBCHNJHCQS-UHFFFAOYSA-L,,,,,,,,,,,
100.089.432,298-422-5,93804-46-7,2-methylnonyl acrylate,2-methylnonyl acrylate,CCCCCCCC(C)COC(=O)C=C,CCCCCCCC(C)COC(=O)C=C,"InChI=1/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h5,12H,2,4,6-11H2,1,3H3",C13H24O2,,,,,,DYJRZZRIXYRTMH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.434,298-424-6,93804-48-9,2-methylundecyl acrylate,2-methylundecyl acrylate,CCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C15H28O2/c1-4-6-7-8-9-10-11-12-14(3)13-17-15(16)5-2/h5,14H,2,4,6-13H2,1,3H3",C15H28O2,,,,,,SUMJDRRSFUWROA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.437,298-427-2,93804-51-4,2-methyltetradecyl acrylate,2-methyltetradecyl acrylate,CCCCCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C18H34O2/c1-4-6-7-8-9-10-11-12-13-14-15-17(3)16-20-18(19)5-2/h5,17H,2,4,6-16H2,1,3H3",C18H34O2,,,,,,UHSGJVXENOKVTE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.445,298-436-1,93804-59-2,"N,N-diethyl-D-gluconamide","N,N-diethyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCN(CC)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCN(CC)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C10H21NO6/c1-3-11(4-2)10(17)9(16)8(15)7(14)6(13)5-12/h6-9,12-16H,3-5H2,1-2H3",C10H21NO6,,,,,,CRNAKAZKZNTHPQ-LURQLKTLSA-N,,,,,,,,,,,
100.089.446,298-437-7,93804-60-5,[2-(pentyloxy)ethyl]benzene,[2-(pentyloxy)ethyl]benzene,CCCCCOCCc1ccccc1,CCCCCOCCc1ccccc1,"InChI=1/C13H20O/c1-2-3-7-11-14-12-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3",C13H20O,,,,,,HNIRLTDJIGVHOG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.447,298-438-2,93804-61-6,4-isobutyl-2-isopropylphenol,4-isobutyl-2-isopropylphenol,CC(C)Cc1ccc(O)c(c1)C(C)C,CC(C)Cc1ccc(O)c(c1)C(C)C,"InChI=1/C13H20O/c1-9(2)7-11-5-6-13(14)12(8-11)10(3)4/h5-6,8-10,14H,7H2,1-4H3",C13H20O,,,,,,BPNNRHSEXOXXJY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.448,298-439-8,93804-62-7,"1,2,3,4,5,6,7,8-octahydro-8,8-dimethylnaphthalene-2-methanol","(8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)methanol",CC1(C)CCCC2=C1CC(CO)CC2,CC1(C)CCCC2=C1CC(CO)CC2,"InChI=1/C13H22O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h10,14H,3-9H2,1-2H3",C13H22O,,,,,,TXYYNNGNKSJORA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.451,298-442-4,93804-65-0,Ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate,ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate,CCCCCCC1=CC(=O)CCC1C(=O)OCC,CCCCCCC1=CC(=O)CCC1C(=O)OCC,"InChI=1/C15H24O3/c1-3-5-6-7-8-12-11-13(16)9-10-14(12)15(17)18-4-2/h11,14H,3-10H2,1-2H3",C15H24O3,,,,,,VAFVKZPVSZARCO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.453,298-445-0,93804-67-2,Sodium 5-hydroxynaphthalene-2-sulphonate,sodium 5-hydroxynaphthalene-2-sulfonate,[Na+].Oc1cccc2cc(ccc12)S(=O)(=O)[O-],[Na+].Oc1cccc2cc(ccc12)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.xNa,,,,,,AKGMSDDDIBIAJM-UHFFFAOYSA-M,,,,,,,,,,,
100.089.459,298-451-3,93804-73-0,"N,N-diethyl-N,N',N'-trimethyl-N'-[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ethylenediammonium dichloride","N,N-diethyl-N'-[2-(methacryloyloxy)ethyl]-N,N',N'-trimethylethane-1,2-diaminium dichloride",[Cl-].[Cl-].CC[N+](C)(CC)CC[N+](C)(C)CCOC(=O)C(=C)C,[Cl-].[Cl-].CC[N+](C)(CC)CC[N+](C)(C)CCOC(=O)C(=C)C,"InChI=1/C15H32N2O2.2ClH/c1-8-17(7,9-2)11-10-16(5,6)12-13-19-15(18)14(3)4;;/h3,8-13H2,1-2,4-7H3;2*1H/q+2;;/p-2",C15H32N2O2.2Cl,,,,,,MAZXYWYFDYGLBS-UHFFFAOYSA-L,,,,,,,,,,,
100.089.461,298-453-4,93804-76-3,Sodium N-(carboxymethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]glycinate,sodium [(carboxymethyl){2-[(2-hydroxyethyl)(stearoyl)amino]ethyl}amino]acetate,[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCN(CC(=O)O)CC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCN(CC(=O)O)CC(=O)[O-],"InChI=1/C26H50N2O6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28(20-21-29)19-18-27(22-25(31)32)23-26(33)34;/h29H,2-23H2,1H3,(H,31,32)(H,33,34);/q;+1/p-1",C26H50N2O6.Na,,,,,,MCNXKRRYKFUXDG-UHFFFAOYSA-M,,,,,,,,,,,
100.089.462,298-455-5,93804-77-4,Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium chloride,"2-(acryloyloxy)-N,N-diethyl-N-methylpropan-1-aminium chloride",[Cl-].CC[N+](C)(CC)CC(C)OC(=O)C=C,[Cl-].CC[N+](C)(CC)CC(C)OC(=O)C=C,"InChI=1/C11H22NO2.ClH/c1-6-11(13)14-10(4)9-12(5,7-2)8-3;/h6,10H,1,7-9H2,2-5H3;1H/q+1;/p-1",C11H22NO2.Cl,,,,,,NNLKRJIEZYOPNY-UHFFFAOYSA-M,,,,,,,,,,,
100.090.871,300-005-0,93919-20-1,"1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydroxide","1-{2-[{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium hydroxide",[OH-].[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[OH-].[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H20Cl2N5O2.H2O/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;/h3-11,14-15H,2,12-13H2,1H3;1H2/q+1;/p-1",C21H20Cl2N5O2.HO,,,,,,ADZOLKADRMQPCT-UHFFFAOYSA-M,,,,,,,,,,,
100.062.890,269-200-5,68189-45-7,"N-[3-(tetradecyloxy)propyl]propane-1,3-diamine acetate","N-[3-(tetradecyloxy)propyl]propane-1,3-diamine acetate",CCCCCCCCCCCCCCOCCCNCCCN.CC(=O)O,CCCCCCCCCCCCCCOCCCNCCCN.CC(=O)O,"InChI=1/C20H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21;1-2(3)4/h22H,2-21H2,1H3;1H3,(H,3,4)",C20H44N2O.xC2H4O2,,,,,,QIVCZDWOQMMPPU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.893,269-203-1,68191-11-7,Hexaammonium platinum(2+) tetrasulphite,hexaammonium platinum(2+) tetrasulphite,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Pt+2].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Pt+2].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/6H3N.4H2O3S.Pt/c;;;;;;4*1-4(2)3;/h6*1H3;4*(H2,1,2,3);/q;;;;;;;;;;+2/p-2",H3N.2/3H2O3S.1/6Pt,,,,,,RBIRKHLJEHBWQM-UHFFFAOYSA-L,,,,,,,,,,,
100.066.381,273-041-7,68929-12-4,7-(2-ethylhexyl)quinolin-8-ol,7-(2-ethylhexyl)quinolin-8-ol,CCCCC(CC)Cc1ccc2cccnc2c1O,CCCCC(CC)Cc1ccc2cccnc2c1O,"InChI=1/C17H23NO/c1-3-5-7-13(4-2)12-15-10-9-14-8-6-11-18-16(14)17(15)19/h6,8-11,13,19H,3-5,7,12H2,1-2H3",C17H23NO,,,,,,FOMHJBDTLRDQBH-UHFFFAOYSA-N,,,,,,,,,,,
100.066.384,273-044-3,68931-51-1,3-(1-methoxy-1-methylethoxy)propyne,3-(1-methoxy-1-methylethoxy)prop-1-yne,COC(C)(C)OCC#C,COC(C)(C)OCC#C,"InChI=1/C7H12O2/c1-5-6-9-7(2,3)8-4/h1H,6H2,2-4H3",C7H12O2,,,,,,ZLWLIRSKIAHRKA-UHFFFAOYSA-N,,,,,,,,,,,
100.066.386,273-046-4,68936-08-3,"4,5-dihydro-4-[(2-methoxy-5-methylphenyl)azo]-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monohydrochloride","4-[(2-methoxy-5-methylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carboximidamide hydrochloride",Cl.O=C2C(N=Nc1cc(C)ccc1OC)C(\\C)=N/N2C(=N)N,Cl.O=C2C(N=Nc1cc(C)ccc1OC)C(\C)=N/N2C(=N)N,"InChI=1/C13H16N6O2.ClH/c1-7-4-5-10(21-3)9(6-7)16-17-11-8(2)18-19(12(11)20)13(14)15;/h4-6,11H,1-3H3,(H3,14,15);1H",C13H16N6O2.ClH,,,,,,UGSWODSVJMNCNG-UHFFFAOYSA-N,,,,,,,,,,,
100.066.404,273-066-3,68937-41-7,"Phenol, isopropylated, phosphate (3:1)",tris(4-isopropylphenyl) phosphate,CC(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1,CC(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1,"InChI=1/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13333,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.404,ANVREEJNGJMLOV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.767,300-989-1,93966-38-2,Lead tetracosanoate,lead(4+) tetratetracosanoate,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C24H48O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;;;/h2-23H2,1H3,(H,25,26);;;/q;+4;;/rC24H48O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);1H2/q;+4",C24H48O2.xPb,,,,,,OVESEBKJNXVNGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.770,300-992-8,93966-41-7,"5-oxo-L-proline, compound with N-benzyl-1-methyl-N-phenylpiperidin-4-amine (2:1)",5-oxo-L-proline - N-benzyl-1-methyl-N-phenylpiperidin-4-amine (2:1),CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5,CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3.OC(=O)[C@@H]4CCC(=O)N4.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C19H24N2.2C5H7NO3/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;2*7-4-2-1-3(6-4)5(8)9/h2-11,19H,12-16H2,1H3;2*3H,1-2H2,(H,6,7)(H,8,9)",C19H24N2.2C5H7NO3,,,,,,DTJBFLLGECANOS-YHUPNWGDSA-N,,,,,,,,,,,
100.091.774,300-997-5,93966-45-1,Tetrahydrofurfuryl hydrogen adipate,6-oxo-6-(tetrahydrofuran-2-ylmethoxy)hexanoic acid,OC(=O)CCCCC(=O)OCC1CCCO1,OC(=O)CCCCC(=O)OCC1CCCO1,"InChI=1/C11H18O5/c12-10(13)5-1-2-6-11(14)16-8-9-4-3-7-15-9/h9H,1-8H2,(H,12,13)",C11H18O5,,,,,,MYAALGBQWWRACC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.775,300-998-0,93966-46-2,"Undecanoic acid, compound with piperazine-1,4-diethanol (1:1)","undecanoic acid - 2,2'-piperazine-1,4-diyldiethanol (1:1)",CCCCCCCCCCC(=O)O.OCCN1CCN(CCO)CC1,CCCCCCCCCCC(=O)O.OCCN1CCN(CCO)CC1,"InChI=1/C11H22O2.C8H18N2O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;11-7-5-9-1-2-10(4-3-9)6-8-12/h2-10H2,1H3,(H,12,13);11-12H,1-8H2",C11H22O2.C8H18N2O2,,,,,,ITKVGBFRLBEJNU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.144,274-982-6,70886-58-7,(+)-2-chloropropiononitrile,2-chloropropanenitrile,CC(Cl)C#N,CC(Cl)C#N,"InChI=1/C3H4ClN/c1-3(4)2-5/h3H,1H3",C3H4ClN,,,,,,JNAYPRPPXRWGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.155,274-994-1,70892-85-2,"Disodium 1-amino-4-[(4-chloro-3-sulphonatophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(4-chloro-3-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cl)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cl)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C20H13ClN2O8S2.2Na/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C20H13ClN2O8S2.2Na,,,,,,COAPEVCOWDOAJI-UHFFFAOYSA-L,,,,,,,,,,,
100.068.157,274-996-2,70894-66-5,"cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl benzoate","[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate",Clc1ccc(c(Cl)c1)C2(Cn3ccnc3)OCC(COC(=O)c4ccccc4)O2,Clc1ccc(c(Cl)c1)C2(Cn3ccnc3)OCC(COC(=O)c4ccccc4)O2,"InChI=1/C21H18Cl2N2O4/c22-16-6-7-18(19(23)10-16)21(13-25-9-8-24-14-25)28-12-17(29-21)11-27-20(26)15-4-2-1-3-5-15/h1-10,14,17H,11-13H2",C21H18Cl2N2O4,,,,,,OYTQFYBMBBVDPN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.662,301-975-8,94087-81-7,"5-octadecylpyrimidine-2,4,6-triamine","5-octadecylpyrimidine-2,4,6-triamine",CCCCCCCCCCCCCCCCCCc1c(N)nc(N)nc1N,CCCCCCCCCCCCCCCCCCc1c(N)nc(N)nc1N,"InChI=1/C22H43N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)26-22(25)27-21(19)24/h2-18H2,1H3,(H6,23,24,25,26,27)",C22H43N5,,,,,,KVTOOFXLYHKXCK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.665,301-978-4,94087-84-0,(Z)-3-hexenyl 2-oxocyclopentanecarboxylate,hex-3-en-1-yl 2-oxocyclopentanecarboxylate,CC\\C=C/CCOC(=O)C1CCCC1=O,CC\C=C/CCOC(=O)C1CCCC1=O,"InChI=1/C12H18O3/c1-2-3-4-5-9-15-12(14)10-7-6-8-11(10)13/h3-4,10H,2,5-9H2,1H3",C12H18O3,,,,,,DFLMJIAINCTAIP-ARJAWSKDSA-N,,,,,,,,,,,
100.092.668,301-982-6,94087-87-3,"[(1,2-benzisothiazol-3-yloxy)methyl](diethyl)amine","N-[(1,2-benzisothiazol-3-yloxy)methyl]-N-ethylethanamine",CCN(CC)COc1nsc2ccccc12,CCN(CC)COc1nsc2ccccc12,"InChI=1/C12H16N2OS/c1-3-14(4-2)9-15-12-10-7-5-6-8-11(10)16-13-12/h5-8H,3-4,9H2,1-2H3",C12H16N2OS,,,,,,GZCHAXSDZLOSHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.677,301-992-0,94087-96-4,"9-chloro-11ß-hydroxy-6a-methylpregna-1,4-diene-3,20-dione","9-chloro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(Cl)[C@@]4(C)C=CC(=O)C=C14,C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(Cl)[C@@]4(C)C=CC(=O)C=C14,"InChI=1/C22H29ClO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h7-8,10,12,15-16,18-19,26H,5-6,9,11H2,1-4H3",C22H29ClO3,,,,,,HFTXHRFCLJJTGL-ORKYMPNQSA-N,,,,,,,,,,,
100.092.681,301-996-2,94088-00-3,"Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11ß)-","Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11beta)-",[Na+].[Na+].C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,[Na+].[Na+].C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,"InChI=1/C21H28FO8P.2Na/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(26,17(25)11-30-31(27,28)29)19(14,2)10-16(24)21(15,18)22;;/h5,7,9,14-16,24,26H,3-4,6,8,10-11H2,1-2H3,(H2,27,28,29);;/q;2*+1",C21H28FO8P.2Na,,,,,,RJCHGSGXNBHMRH-VJVYSMTMSA-N,,,,,,,,,,,
100.092.685,302-000-9,94088-04-7,"Bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] 4,6-bis(chloroformyl)isophthalate","bis[2-(methacryloyloxy)ethyl] 4,6-bis(chlorocarbonyl)isophthalate",CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)Cl)C(=O)Cl,CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)Cl)C(=O)Cl,"InChI=1/C22H20Cl2O10/c1-11(2)19(27)31-5-7-33-21(29)15-10-16(14(18(24)26)9-13(15)17(23)25)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3",C22H20Cl2O10,,,,,,HHADMXONRFLIKP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.686,302-001-4,94088-05-8,"Bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] 2,5-bis(chloroformyl)terephthalate","bis[2-(methacryloyloxy)ethyl] 2,5-bis(chlorocarbonyl)terephthalate",CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)Cl)c(cc1C(=O)Cl)C(=O)OCCOC(=O)C(=C)C,CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)Cl)c(cc1C(=O)Cl)C(=O)OCCOC(=O)C(=C)C,"InChI=1/C22H20Cl2O10/c1-11(2)19(27)31-5-7-33-21(29)15-9-14(18(24)26)16(10-13(15)17(23)25)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3",C22H20Cl2O10,,,,,,SCQIJALTNRNFIM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.690,302-006-1,94088-09-2,"1-ethoxy-1,3-dimethoxydodecane","1-ethoxy-1,3-dimethoxydodecane",CCCCCCCCCC(CC(OC)OCC)OC,CCCCCCCCCC(CC(OC)OCC)OC,"InChI=1/C16H34O3/c1-5-7-8-9-10-11-12-13-15(17-3)14-16(18-4)19-6-2/h15-16H,5-14H2,1-4H3",C16H34O3,,,,,,JWANSQVVYWAKTI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.692,302-008-2,94088-11-6,"(1E,6Z)-1-ethoxynona-1,6-diene","1-ethoxynona-1,6-diene",CCO\\C=C\\CCC\\C=C/CC,CCO\C=C\CCC\C=C/CC,"InChI=1/C11H20O/c1-3-5-6-7-8-9-10-11-12-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3",C11H20O,,,,,,QMZAWOWCSLVFKC-GWZUCBFCSA-N,,,,,,,,,,,
100.092.700,302-017-1,94088-19-4,"3,4-dihydro-2-oxo-6-pentyl-2H-pyran-3-carboxylic acid","2-oxo-6-pentyl-3,4-dihydro-2H-pyran-3-carboxylic acid",CCCCCC1=CCC(C(=O)O)C(=O)O1,CCCCCC1=CCC(C(=O)O)C(=O)O1,"InChI=1/C11H16O4/c1-2-3-4-5-8-6-7-9(10(12)13)11(14)15-8/h6,9H,2-5,7H2,1H3,(H,12,13)",C11H16O4,,,,,,JPVGQTWFAGDTQD-UHFFFAOYSA-N,,,,,,,,,,,
100.087.843,296-671-4,92951-64-9,Lithium dibutyl(1-methylpropyl)magnesate(1-),lithium dibutyl(sec-butyl)magnesate(1-),[Li+].CCCC[Mg-](CCCC)C(C)CC,[Li+].CCCC[Mg-](CCCC)C(C)CC,"InChI=1/3C4H9.Li.Mg/c3*1-3-4-2;;/h3H,4H2,1-2H3;2*1,3-4H2,2H3;;/q;;;+1;-1/rC12H27Mg.Li/c1-5-8-10-13(11-9-6-2)12(4)7-3;/h12H,5-11H2,1-4H3;/q-1;+1",C12H27Mg.Li,,,,,,OHHLUVMKHILDKL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.924,300-063-7,93919-79-0,"Dodecasodium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","dodecasodium [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.12Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;;;;;/q;12*+1/p-12",C12H36N4O18P6.12Na,,,,,,NPHCVKSRPFWDEI-UHFFFAOYSA-B,,,,,,,,,,,
100.092.747,302-069-5,94088-67-2,Chlorophenyl 2-nitrobenzenesulphonate,2-chlorophenyl 2-nitrobenzenesulfonate,[O-][N+](=O)c1ccccc1S(=O)(=O)Oc2ccccc2Cl,[O-][N+](=O)c1ccccc1S(=O)(=O)Oc2ccccc2Cl,"InChI=1/C12H8ClNO5S/c13-9-5-1-3-7-11(9)19-20(17,18)12-8-4-2-6-10(12)14(15)16/h1-8H",C12H8ClNO5S,,,,,,XSSJOUMWWSBEKI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.748,302-070-0,94088-68-3,Diethyl (2-chloro-5-nitrobenzoyl)malonate,diethyl (2-chloro-5-nitrobenzoyl)malonate,CCOC(=O)C(C(=O)OCC)C(=O)c1cc(ccc1Cl)[N+](=O)[O-],CCOC(=O)C(C(=O)OCC)C(=O)c1cc(ccc1Cl)[N+](=O)[O-],"InChI=1/C14H14ClNO7/c1-3-22-13(18)11(14(19)23-4-2)12(17)9-7-8(16(20)21)5-6-10(9)15/h5-7,11H,3-4H2,1-2H3",C14H14ClNO7,,,,,,DGWXMMOJNMGHRO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.523,298-522-9,93805-39-1,3-bromo-2-[[4-(diethylamino)-o-tolyl]azo]-5-nitrobenzonitrile,3-bromo-2-{[4-(diethylamino)-2-methylphenyl]diazenyl}-5-nitrobenzonitrile,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1C)N(CC)CC)[N+]([O-])=O,Brc2cc(cc(C#N)c2N=Nc1ccc(cc1C)N(CC)CC)[N+]([O-])=O,"InChI=1/C18H18BrN5O2/c1-4-23(5-2)14-6-7-17(12(3)8-14)21-22-18-13(11-20)9-15(24(25)26)10-16(18)19/h6-10H,4-5H2,1-3H3",C18H18BrN5O2,,,,,,LERADLVSVWXSST-UHFFFAOYSA-N,,,,,,,,,,,
100.089.524,298-523-4,93805-40-4,"4-[(2,6-dibromo-4-nitrophenyl)azo]-N,N-diethyl-m-toluidine","4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N,N-diethyl-3-methylaniline",Brc2cc(cc(Br)c2N=Nc1ccc(cc1C)N(CC)CC)[N+]([O-])=O,Brc2cc(cc(Br)c2N=Nc1ccc(cc1C)N(CC)CC)[N+]([O-])=O,"InChI=1/C17H18Br2N4O2/c1-4-22(5-2)12-6-7-16(11(3)8-12)20-21-17-14(18)9-13(23(24)25)10-15(17)19/h6-10H,4-5H2,1-3H3",C17H18Br2N4O2,,,,,,PQCULTOIAQBXSU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.525,298-525-5,93805-41-5,"p-[[4-[(p-hydroxyphenyl)azo]-o-tolyl]azo]-N,N-dimethylbenzenesulphonamide","4-({4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl}diazenyl)-N,N-dimethylbenzenesulfonamide",Oc3ccc(N=Nc2cc(C)c(N=Nc1ccc(cc1)S(=O)(=O)N(C)C)cc2)cc3,Oc3ccc(N=Nc2cc(C)c(N=Nc1ccc(cc1)S(=O)(=O)N(C)C)cc2)cc3,"InChI=1/C21H21N5O3S/c1-15-14-18(24-22-16-4-9-19(27)10-5-16)8-13-21(15)25-23-17-6-11-20(12-7-17)30(28,29)26(2)3/h4-14,27H,1-3H3",C21H21N5O3S,,,,,,XCNHNPFUBLPDED-UHFFFAOYSA-N,,,,,,,,,,,
100.089.529,298-529-7,93805-46-0,1-isocyanato-3-[(4-isocyanatocyclohexyl)methyl]-2-methylcyclohexane,1-isocyanato-3-[(4-isocyanatocyclohexyl)methyl]-2-methylcyclohexane,CC1C(CC2CCC(CC2)N=C=O)CCCC1N=C=O,CC1C(CC2CCC(CC2)N=C=O)CCCC1N=C=O,"InChI=1/C16H24N2O2/c1-12-14(3-2-4-16(12)18-11-20)9-13-5-7-15(8-6-13)17-10-19/h12-16H,2-9H2,1H3",C16H24N2O2,,,,,,YRYXLQMEAZLZAW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.530,298-530-2,93805-47-1,"Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate","phenyl 2,4-diisocyanato-5-methylbenzenesulfonate",Cc1cc(c(cc1N=C=O)N=C=O)S(=O)(=O)Oc2ccccc2,Cc1cc(c(cc1N=C=O)N=C=O)S(=O)(=O)Oc2ccccc2,"InChI=1/C15H10N2O5S/c1-11-7-15(14(17-10-19)8-13(11)16-9-18)23(20,21)22-12-5-3-2-4-6-12/h2-8H,1H3",C15H10N2O5S,,,,,,YOYNLXLKRDWFKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.547,298-549-6,93805-66-4,"(S)-2,3-dihydroxypropyl dihydrogen phosphate, compound with cyclohexylamine (1:2)","2,3-dihydroxypropyl dihydrogen phosphate - cyclohexanamine (1:2)",NC1CCCCC1.NC2CCCCC2.OC[C@H](O)COP(=O)(O)O,NC1CCCCC1.NC2CCCCC2.OC[C@H](O)COP(=O)(O)O,"InChI=1/2C6H13N.C3H9O6P/c2*7-6-4-2-1-3-5-6;4-1-3(5)2-9-10(6,7)8/h2*6H,1-5,7H2;3-5H,1-2H2,(H2,6,7,8)",C6H13N.1/2C3H9O6P,,,,,,FWIDSLORBURWJY-VYFHOAEYSA-N,,,,,,,,,,,
100.089.550,298-552-2,93805-69-7,Ethyl 3-(p-isopropylphenyl)oxirane-2-carboxylate,ethyl 3-(4-isopropylphenyl)oxirane-2-carboxylate,CCOC(=O)C1OC1c2ccc(cc2)C(C)C,CCOC(=O)C1OC1c2ccc(cc2)C(C)C,"InChI=1/C14H18O3/c1-4-16-14(15)13-12(17-13)11-7-5-10(6-8-11)9(2)3/h5-9,12-13H,4H2,1-3H3",C14H18O3,,,,,,ITNKSNPSUNGFLE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.552,298-554-3,93805-71-1,"[2,2-bis(1-methylethoxy)ethyl]benzene","(2,2-diisopropoxyethyl)benzene",CC(C)OC(Cc1ccccc1)OC(C)C,CC(C)OC(Cc1ccccc1)OC(C)C,"InChI=1/C14H22O2/c1-11(2)15-14(16-12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3",C14H22O2,,,,,,ITNRYYFLWPMNLN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.553,298-555-9,93805-72-2,2-ethyl-4-oxo-4H-pyran-3-yl butyrate,2-ethyl-4-oxo-4H-pyran-3-yl butyrate,CCCC(=O)OC1=C(CC)OC=CC1=O,CCCC(=O)OC1=C(CC)OC=CC1=O,"InChI=1/C11H14O4/c1-3-5-10(13)15-11-8(12)6-7-14-9(11)4-2/h6-7H,3-5H2,1-2H3",C11H14O4,,,,,,YVDBHRIILLVEBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.554,298-556-4,93805-73-3,S-[1-methyl-1-(4-methyl-5-oxo-3-cyclohexen-1-yl)ethyl] ethanethioate,S-[1-methyl-1-(4-methyl-5-oxocyclohex-3-en-1-yl)ethyl] ethanethioate,CC(=O)SC(C)(C)C1CC=C(C)C(=O)C1,CC(=O)SC(C)(C)C1CC=C(C)C(=O)C1,"InChI=1/C12H18O2S/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3",C12H18O2S,,,,,,LAEKDWBTDIBHPP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.558,298-561-1,93805-77-7,4-cyclopentyl-2-methylcyclohexan-1-one,4-cyclopentyl-2-methylcyclohexanone,CC1CC(CCC1=O)C2CCCC2,CC1CC(CCC1=O)C2CCCC2,"InChI=1/C12H20O/c1-9-8-11(6-7-12(9)13)10-4-2-3-5-10/h9-11H,2-8H2,1H3",C12H20O,,,,,,IBGOXTNJMGIEOB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.560,298-563-2,93805-79-9,Calcium bis(2-ethylhexanolate),calcium bis(2-ethylhexan-1-olate),[Ca+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-],[Ca+2].CCCCC(CC)C[O-].CCCCC(CC)C[O-],"InChI=1/2C8H17O.Ca/c2*1-3-5-6-8(4-2)7-9;/h2*8H,3-7H2,1-2H3;/q2*-1;+2",C8H18O.1/2Ca,,,,,,USNBCOQMJRWBCE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.380,302-765-9,94134-00-6,Potassium 6-[methyl(phenylsulphonyl)amino]hexanoate,potassium 6-[methyl(phenylsulfonyl)amino]hexanoate,[K+].CN(CCCCCC(=O)[O-])S(=O)(=O)c1ccccc1,[K+].CN(CCCCCC(=O)[O-])S(=O)(=O)c1ccccc1,"InChI=1/C13H19NO4S.K/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);/q;+1/p-1",C13H19NO4S.K,,,,,,CTWVOIURYAXYBM-UHFFFAOYSA-M,,,,,,,,,,,
100.093.382,302-768-5,94134-02-8,"1-cyano-2,3-dimethylisourea",methyl N-cyano-N'-methylimidocarbamate,CO\\C(=N/C)\\NC#N,CO\C(=N/C)\NC#N,"InChI=1/C4H7N3O/c1-6-4(8-2)7-3-5/h1-2H3,(H,6,7)",C4H7N3O,,,,,,CMIPWACBRYWGPN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.383,302-769-0,94134-03-9,(Z)-oct-3-en-1-yl propionate,oct-3-en-1-yl propionate,CCCC\\C=C/CCOC(=O)CC,CCCC\C=C/CCOC(=O)CC,"InChI=1/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3",C11H20O2,,,,,,NTQOADMSKSBQCI-FPLPWBNLSA-N,,,,,,,,,,,
100.093.386,302-772-7,94134-06-2,4-acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid,4-acetamido-5-(ethylsulfonyl)-2-methoxybenzoic acid,CCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1NC(=O)C,CCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1NC(=O)C,"InChI=1/C12H15NO6S/c1-4-20(17,18)11-5-8(12(15)16)10(19-3)6-9(11)13-7(2)14/h5-6H,4H2,1-3H3,(H,13,14)(H,15,16)",C12H15NO6S,,,,,,PLMIMTYTJYIWDL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.387,302-773-2,94134-07-3,Methyl 5-sulpho-o-anisate,4-methoxy-3-(methoxycarbonyl)benzenesulfonic acid,COC(=O)c1cc(ccc1OC)S(=O)(=O)O,COC(=O)c1cc(ccc1OC)S(=O)(=O)O,"InChI=1/C9H10O6S/c1-14-8-4-3-6(16(11,12)13)5-7(8)9(10)15-2/h3-5H,1-2H3,(H,11,12,13)",C9H10O6S,,,,,,OTNVYRVUMVCGJU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.396,302-783-7,94134-16-4,Bis(2-aminoethyl) butyl phosphate,bis(2-aminoethyl) butyl phosphate,NCCOP(=O)(OCCN)OCCCC,NCCOP(=O)(OCCN)OCCCC,"InChI=1/C8H21N2O4P/c1-2-3-6-12-15(11,13-7-4-9)14-8-5-10/h2-10H2,1H3",C8H21N2O4P,,,,,,ISCNHRMGTBRNNW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.401,302-788-4,94134-21-1,Hexadecyldimethyl[3-(triethoxysilyl)propyl]ammonium chloride,"N,N-dimethyl-N-[3-(triethoxysilyl)propyl]hexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC,[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC,"InChI=1/C27H60NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(5,6)26-24-27-32(29-8-2,30-9-3)31-10-4;/h7-27H2,1-6H3;1H/q+1;/p-1",C27H60NO3Si.Cl,,,,,,RYJVNHWSPPNQPJ-UHFFFAOYSA-M,,,,,,,,,,,
100.093.406,302-794-7,94134-26-6,2-aminooxazol-5(4H)-one,"2-amino-1,3-oxazol-5(4H)-one",NC1=NCC(=O)O1,NC1=NCC(=O)O1,"InChI=1/C3H4N2O2/c4-3-5-1-2(6)7-3/h1H2,(H2,4,5)",C3H4N2O2,,,,,,JZJGGWZIRGGIDK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.411,302-799-4,94134-31-3,"3,5,5-trimethylhexyl nitrite","3,5,5-trimethylhexyl nitrite",CC(CCON=O)CC(C)(C)C,CC(CCON=O)CC(C)(C)C,"InChI=1/C9H19NO2/c1-8(5-6-12-10-11)7-9(2,3)4/h8H,5-7H2,1-4H3",C9H19NO2,,,,,,NXTWZLMLGHRVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.412,302-800-8,94134-32-4,"Butyl 4-(1,1-dimethylethyl)benzoate",butyl 4-tert-butylbenzoate,CCCCOC(=O)c1ccc(cc1)C(C)(C)C,CCCCOC(=O)c1ccc(cc1)C(C)(C)C,"InChI=1/C15H22O2/c1-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2,3)4/h7-10H,5-6,11H2,1-4H3",C15H22O2,,,,,,BMSNGGLCKZGIEY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.336,300-515-3,93941-66-3,"N,N'-bis(1,3-dimethylbutylidene)trimethylhexane-1,6-diamine","N,N'-bis(1,3-dimethylbutylidene)-5,6-dimethylheptane-1,6-diamine",CC(C)CC(C)=NC(C)(C)C(C)CCCCN=C(C)CC(C)C,CC(C)CC(C)=NC(C)(C)C(C)CCCCN=C(C)CC(C)C,"InChI=1/C21H42N2/c1-16(2)14-19(6)22-13-11-10-12-18(5)21(8,9)23-20(7)15-17(3)4/h16-18H,10-15H2,1-9H3",C21H42N2,,,,,,WVVOGNJVSKXHPN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.337,300-516-9,93941-67-4,4-(isopropyl)cyclohexadieneacetaldehyde,"(4-isopropylcyclohexa-1,3-dien-1-yl)acetaldehyde",CC(C)C1=CC=C(CC=O)CC1,CC(C)C1=CC=C(CC=O)CC1,"InChI=1/C11H16O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3,5,8-9H,4,6-7H2,1-2H3",C11H16O,,,,,,AWSBPDVWCHGCNK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.342,300-522-1,93941-73-2,"3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl isobutyrate","3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yl 2-methylpropanoate",CC(C)C(=O)OC1C=CC2C3CCC(C3)C12,CC(C)C(=O)OC1C=CC2C3CCC(C3)C12,"InChI=1/C14H20O2/c1-8(2)14(15)16-12-6-5-11-9-3-4-10(7-9)13(11)12/h5-6,8-13H,3-4,7H2,1-2H3",C14H20O2,,,,,,XEWHAZXTDUYYBY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.344,300-524-2,93941-75-4,"2,9-bis(aminomethyl)-3,8-dioxabicyclo[8.2.2]tetradeca-10,12,13-triene-4,7-dione","2,9-bis(aminomethyl)-3,8-dioxabicyclo[8.2.2]tetradeca-1(12),10,13-triene-4,7-dione",NCC1OC(=O)CCC(=O)OC(CN)c2ccc1cc2,NCC1OC(=O)CCC(=O)OC(CN)c2ccc1cc2,"InChI=1/C14H18N2O4/c15-7-11-9-1-2-10(4-3-9)12(8-16)20-14(18)6-5-13(17)19-11/h1-4,11-12H,5-8,15-16H2",C14H18N2O4,,,,,,TVJRPDWUZJHLAE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.346,300-526-3,93941-77-6,"1,2-phenylene dihexanoate","1,2-phenylene dihexanoate",CCCCCC(=O)Oc1ccccc1OC(=O)CCCCC,CCCCCC(=O)Oc1ccccc1OC(=O)CCCCC,"InChI=1/C18H26O4/c1-3-5-7-13-17(19)21-15-11-9-10-12-16(15)22-18(20)14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3",C18H26O4,,,,,,ROYLHNCAKTYWLD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.925,300-064-2,93919-80-3,"Hexapotassium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","hexapotassium hexahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.6K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;/q;6*+1/p-12",C12H36N4O18P6.6K,,,,,,IYRDUIAAKZLRCM-UHFFFAOYSA-B,,,,,,,,,,,
100.090.926,300-065-8,93919-81-4,"Heptapotassium pentahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","heptapotassium pentahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.7K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;/q;7*+1/p-12",C12H36N4O18P6.7K,,,,,,NUTKZGMXFMRCPP-UHFFFAOYSA-B,,,,,,,,,,,
100.090.934,300-074-7,93919-89-2,"(R)-3,7-dimethyloct-6-enyl butyrate","3,7-dimethyloct-6-en-1-yl butyrate",CCCC(=O)OCC[C@H](C)CCC=C(C)C,CCCC(=O)OCC[C@H](C)CCC=C(C)C,"InChI=1/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3",C14H26O2,,,,,,XQPZQXTWYZAXAK-CYBMUJFWSA-N,,,,,,,,,,,
100.090.936,300-076-8,93919-91-6,"(+)-3,7-dimethyloct-6-enyl formate","3,7-dimethyloct-6-en-1-yl formate",CC(CCOC=O)CCC=C(C)C,CC(CCOC=O)CCC=C(C)C,"InChI=1/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3",C11H20O2,,,,,,DZNVIZQPWLDQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.940,300-081-5,93919-95-0,"1,1'-[(2-phenylethylidene)bis(oxy-2,1-ethanediyl)]bisbenzene","[2,2-bis(2-phenylethoxy)ethyl]benzene",C(Cc1ccccc1)OC(Cc2ccccc2)OCCc3ccccc3,C(Cc1ccccc1)OC(Cc2ccccc2)OCCc3ccccc3,"InChI=1/C24H26O2/c1-4-10-21(11-5-1)16-18-25-24(20-23-14-8-3-9-15-23)26-19-17-22-12-6-2-7-13-22/h1-15,24H,16-20H2",C24H26O2,,,,,,SCTXBFWBZBOLKS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.949,300-090-4,93920-07-1,(2-ethylhexyl) hydrogen octylphosphonate,2-ethylhexyl hydrogen octylphosphonate,CCCCCCCCP(=O)(O)OCC(CC)CCCC,CCCCCCCCP(=O)(O)OCC(CC)CCCC,"InChI=1/C16H35O3P/c1-4-7-9-10-11-12-14-20(17,18)19-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3,(H,17,18)",C16H35O3P,,,,,,KYYFFXSFMAVEDS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.742,298-762-4,93838-90-5,L-ornithine (a-oxobenzenepropionate),2-oxo-3-phenylpropanoic acid - L-ornithine (1:1),NCCC[C@H](N)C(=O)O.OC(=O)C(=O)Cc1ccccc1,NCCC[C@H](N)C(=O)O.OC(=O)C(=O)Cc1ccccc1,"InChI=1/C9H8O3.C5H12N2O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3-1-2-4(7)5(8)9/h1-5H,6H2,(H,11,12);4H,1-3,6-7H2,(H,8,9)",C9H8O3.C5H12N2O2,,,,,,CYDIXPPRSKKSHT-VWMHFEHESA-N,,,,,,,,,,,
100.091.378,300-561-4,93942-12-2,"N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]-9,12,15-octadecatrienamide","N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]octadeca-9,12,15-trienamide",CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN,CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN,"InChI=1/C24H46N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h3-4,6-7,9-10,26-27H,2,5,8,11-23,25H2,1H3,(H,28,29)",C24H46N4O,,,,,,CYFSEFXOZKXQFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.379,300-563-5,93942-13-3,"N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]octadeca-9,12,15-trienamide monoacetate","N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]octadeca-9,12,15-trienamide acetate",O=C(NCCNCCNCCN)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,O=C(NCCNCCNCCN)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,"InChI=1/C24H46N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h3-4,6-7,9-10,26-27H,2,5,8,11-23,25H2,1H3,(H,28,29);1H3,(H,3,4)",C24H46N4O.C2H4O2,,,,,,SYYXLNZDADKOHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.381,300-565-6,93942-15-5,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]myristamide monoacetate,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)tetradecanamide acetate,CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,"InChI=1/C22H49N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(28)27-21-20-26-19-18-25-17-16-24-15-14-23;1-2(3)4/h24-26H,2-21,23H2,1H3,(H,27,28);1H3,(H,3,4)",C22H49N5O.C2H4O2,,,,,,LGGSDXXOAIEAKX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.137,301-397-6,94021-04-2,"3,6-dihydro-4,6-dimethyl-2-pentyl-2H-pyran","4,6-dimethyl-2-pentyl-3,6-dihydro-2H-pyran",CCCCCC1CC(=CC(C)O1)C,CCCCCC1CC(=CC(C)O1)C,"InChI=1/C12H22O/c1-4-5-6-7-12-9-10(2)8-11(3)13-12/h8,11-12H,4-7,9H2,1-3H3",C12H22O,,,,,,WGEOMGKTCSAKPW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.138,301-398-1,94021-05-3,Dialuminium tris[6-hydroxy-5-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate],dialuminium tris[6-hydroxy-5-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate],[Al+3].[Al+3].[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O.[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O.[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O,[Al+3].[Al+3].[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O.[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O.[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O,"InChI=1/3C16H12N2O7S2.2Al/c3*19-15-7-4-10-8-13(27(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)26(20,21)22;;/h3*1-9,19H,(H,20,21,22)(H,23,24,25);;/q;;;2*+3/p-6",C16H12N2O7S2.2/3Al,,,,,,BLEBHQBQMOMRGF-UHFFFAOYSA-H,,,,,,,,,,,
100.092.162,301-424-1,94021-30-4,Potassium 3-[[5-(tert-butyl)-2-hydroxyphenyl]azo]-2-hydroxy-5-nitrobenzenesulphonate,potassium 3-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]-2-hydroxy-5-nitrobenzenesulfonate,[K+].Oc2c(cc(cc2N=Nc1cc(ccc1O)C(C)(C)C)[N+]([O-])=O)S([O-])(=O)=O,[K+].Oc2c(cc(cc2N=Nc1cc(ccc1O)C(C)(C)C)[N+]([O-])=O)S([O-])(=O)=O,"InChI=1/C16H17N3O7S.K/c1-16(2,3)9-4-5-13(20)11(6-9)17-18-12-7-10(19(22)23)8-14(15(12)21)27(24,25)26;/h4-8,20-21H,1-3H3,(H,24,25,26);/q;+1/p-1",C16H17N3O7S.K,,,,,,LBHNHGYIFIYLOQ-UHFFFAOYSA-M,,,,,,,,,,,
100.092.163,301-425-7,94021-31-5,"2-[(3,5-diaminophenyl)azo]-4-[(2,4-diaminophenyl)azo]anisole","4-({3-[(3,5-diaminophenyl)diazenyl]-4-methoxyphenyl}diazenyl)benzene-1,3-diamine",COc2ccc(cc2N=Nc1cc(N)cc(N)c1)N=Nc3ccc(N)cc3N,COc2ccc(cc2N=Nc1cc(N)cc(N)c1)N=Nc3ccc(N)cc3N,"InChI=1/C19H20N8O/c1-28-19-5-3-14(24-26-17-4-2-11(20)9-16(17)23)10-18(19)27-25-15-7-12(21)6-13(22)8-15/h2-10H,20-23H2,1H3",C19H20N8O,,,,,,NILXYKBVKQHIOD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.438,300-627-2,93942-72-4,2-hydroxypropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]-2-butenoate,2-hydroxypropyl 4-oxo-4-{[2-(2-oxoimidazolidin-1-yl)ethyl]amino}but-2-enoate,CC(O)COC(=O)C=CC(=O)NCCN1CCNC1=O,CC(O)COC(=O)C=CC(=O)NCCN1CCNC1=O,"InChI=1/C12H19N3O5/c1-9(16)8-20-11(18)3-2-10(17)13-4-6-15-7-5-14-12(15)19/h2-3,9,16H,4-8H2,1H3,(H,13,17)(H,14,19)",C12H19N3O5,,,,,,VQCIYHSUYUBOTB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.442,300-631-4,93942-76-8,"6-amino-2-(2,4-dimethylphenyl)-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acid","6-amino-2-(2,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid",Cc1ccc(N2C(=O)c3cccc4c(N)c(cc(C2=O)c34)S(=O)(=O)O)c(C)c1,Cc1ccc(N2C(=O)c3cccc4c(N)c(cc(C2=O)c34)S(=O)(=O)O)c(C)c1,"InChI=1/C20H16N2O5S/c1-10-6-7-15(11(2)8-10)22-19(23)13-5-3-4-12-17(13)14(20(22)24)9-16(18(12)21)28(25,26)27/h3-9H,21H2,1-2H3,(H,25,26,27)",C20H16N2O5S,,,,,,OHHICTDOJKIUKI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.453,300-644-5,93951-21-4,"Tetrasodium 4-amino-5-hydroxy-6-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","tetrasodium 4-amino-5-hydroxy-6-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc4ccc(cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc4ccc(cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C27H27N5O20S6.4Na/c1-50-20-7-6-18(54(36,37)11-9-52-58(47,48)49)14-19(20)30-32-26-22(56(41,42)43)13-15-12-21(55(38,39)40)25(24(28)23(15)27(26)33)31-29-16-2-4-17(5-3-16)53(34,35)10-8-51-57(44,45)46;;;;/h2-7,12-14,33H,8-11,28H2,1H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;4*+1/p-4",C27H27N5O20S6.4Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16290,https://echa.europa.eu/substance-information/-/substanceinfo/100.091.453,GJPONJURWYSMLN-UHFFFAOYSA-J,,,,,,,,,,,
100.091.462,300-653-4,93951-35-0,"Hydroxy-2,2,4-trimethylpentyl isobutyrate","1-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate",CC(C)CC(C)(C)C(O)OC(=O)C(C)C,CC(C)CC(C)(C)C(O)OC(=O)C(C)C,"InChI=1/C12H24O3/c1-8(2)7-12(5,6)11(14)15-10(13)9(3)4/h8-9,11,14H,7H2,1-6H3",C12H24O3,,,,,,ISJNRPUVOCDJQF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.475,300-668-6,93951-48-5,Calcium bis[1-methylnaphthalenesulphonate],"calcium bis(1-methyl-1,2-dihydronaphthalene-1-sulfonate)",[Ca+2].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-].CC3(CC=Cc4ccccc34)S(=O)(=O)[O-],[Ca+2].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-].CC3(CC=Cc4ccccc34)S(=O)(=O)[O-],"InChI=1/2C11H12O3S.Ca/c2*1-11(15(12,13)14)8-4-6-9-5-2-3-7-10(9)11;/h2*2-7H,8H2,1H3,(H,12,13,14);/q;;+2/p-2",C11H10O3S.1/2Ca,,,,,,ZRYTVEIOPHVLIB-UHFFFAOYSA-L,,,,,,,,,,,
100.089.566,298-570-0,93805-85-7,Calcium (Z)-N-(3-carboxylato-1-oxoallyl)-DL-methionate,calcium 4-{[1-carboxylato-3-(methylsulfanyl)propyl]amino}-4-oxobut-2-enoate,[Ca+2].CSCC[C@H](NC(=O)\\C=C/C(=O)[O-])C(=O)[O-],[Ca+2].CSCC[C@H](NC(=O)\C=C/C(=O)[O-])C(=O)[O-],"InChI=1/C9H13NO5S.Ca/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-2",C9H13NO5S.Ca,,,,,,BHDKTWMJUWZWNU-NNGYGUDKSA-L,,,,,,,,,,,
100.091.347,300-527-9,93941-78-7,"Diethylammonium 2-(2,4-dichlorophenoxy)propionate","N-ethylethanaminium 2-(2,4-dichlorophenoxy)propanoate",CC[NH2+]CC.CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],CC[NH2+]CC.CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-],"InChI=1/C9H8Cl2O3.C4H11N/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;1-3-5-4-2/h2-5H,1H3,(H,12,13);5H,3-4H2,1-2H3",C9H8Cl2O3.C4H11N,,,,,,NLGJPPMUXJBNTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.349,300-530-5,93941-80-1,"1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-","4-{[4-({3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzene-1,3-disulfonic acid",O=C5/C(=C(/C)\\C(\\N=Nc4cc(Nc3nc(Nc2ccc(c(Nc1nc(N)nc(Cl)n1)c2)S(O)(=O)=O)nc(Cl)n3)c(cc4S(O)(=O)=O)S(O)(=O)=O)=C(\\O)N5CC)C(N)=O,O=C5/C(=C(/C)\C(\N=Nc4cc(Nc3nc(Nc2ccc(c(Nc1nc(N)nc(Cl)n1)c2)S(O)(=O)=O)nc(Cl)n3)c(cc4S(O)(=O)=O)S(O)(=O)=O)=C(\O)N5CC)C(N)=O,"InChI=1/C27H24Cl2N14O12S3/c1-3-43-20(45)17(19(30)44)9(2)18(21(43)46)42-41-13-7-12(15(57(50,51)52)8-16(13)58(53,54)55)34-27-38-23(29)37-25(40-27)32-10-4-5-14(56(47,48)49)11(6-10)33-26-36-22(28)35-24(31)39-26/h4-8,46H,3H2,1-2H3,(H2,30,44)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,31,33,35,36,39)(H2,32,34,37,38,40)",C27H24Cl2N14O12S3,,,,,,NGXJTOMGAJYYDH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.355,300-536-8,93941-86-7,Ammonium 3-(allyloxy)-2-hydroxypropyl sulphate,ammonium 3-(allyloxy)-2-hydroxypropyl sulfate,[NH4+].OC(COCC=C)COS(=O)(=O)[O-],[NH4+].OC(COCC=C)COS(=O)(=O)[O-],"InChI=1/C6H12O6S.H3N/c1-2-3-11-4-6(7)5-12-13(8,9)10;/h2,6-7H,1,3-5H2,(H,8,9,10);1H3",C6H12O6S.H3N,,,,,,AHIGSTYXGQJIQN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.360,300-542-0,93941-93-6,Sodium 1-hydroxytetradecane-1-sulphonate,sodium 1-hydroxytetradecane-1-sulfonate,[Na+].CCCCCCCCCCCCCC(O)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCC(O)S(=O)(=O)[O-],"InChI=1/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)19(16,17)18;/h14-15H,2-13H2,1H3,(H,16,17,18);/q;+1/p-1",C14H30O4S.Na,,,,,,WNIGKYDKDYKVIH-UHFFFAOYSA-M,,,,,,,,,,,
100.091.361,300-543-6,93941-94-7,(Z)-2-hydroxy-3-sulphonatopropyldimethyl[3-[(1-oxo-9-octadecenyl)amino]propyl]ammonium,3-{dimethyl[3-(oleoylamino)propyl]ammonio}-2-hydroxypropane-1-sulfonate,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-],"InChI=1/C26H52N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33/h11-12,25,29H,4-10,13-24H2,1-3H3,(H-,27,30,31,32,33)",C26H52N2O5S,,,,,,CNIGBCBFYDWQHS-QXMHVHEDSA-N,,,,,,,,,,,
100.091.367,300-549-9,93942-00-8,"3a,4,5,6,7,7a-hexahydromethoxydimethyl-4,7-methano-1H-indene","1,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yl methyl ether",COC1(C)C2C3CCC(C3)C2C=C1C,COC1(C)C2C3CCC(C3)C2C=C1C,"InChI=1/C13H20O/c1-8-6-11-9-4-5-10(7-9)12(11)13(8,2)14-3/h6,9-12H,4-5,7H2,1-3H3",C13H20O,,,,,,SYKBGUJIIKIFGG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.370,300-553-0,93942-04-2,"N-[2-[(2-aminoethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate","N-{2-[(2-aminoethyl)amino]ethyl}octadeca-9,12,15-trienamide acetate",O=C(NCCNCCN)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,O=C(NCCNCCN)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,"InChI=1/C22H41N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-2(3)4/h3-4,6-7,9-10,24H,2,5,8,11-21,23H2,1H3,(H,25,26);1H3,(H,3,4)",C22H41N3O.C2H4O2,,,,,,FPHSMIOCVMTZLU-UHFFFAOYSA-N,,,,,,,,,,,
100.087.563,296-362-4,92612-63-0,2-[(4-isocyanatocyclohexyl)methyl]-p-tolyl isocyanate,1-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-4-methylbenzene,Cc1ccc(N=C=O)c(CC2CCC(CC2)N=C=O)c1,Cc1ccc(N=C=O)c(CC2CCC(CC2)N=C=O)c1,"InChI=1/C16H18N2O2/c1-12-2-7-16(18-11-20)14(8-12)9-13-3-5-15(6-4-13)17-10-19/h2,7-8,13,15H,3-6,9H2,1H3",C16H18N2O2,,,,,,YJEOUNRXNGWUTL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.473,298-467-0,93804-88-7,"9-fluoro-11ß,17-dihydroxy-16ß-methyl-3,20-dioxopregna-1,4-dien-21-yl 5-oxo-L-prolinate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 5-oxo-L-prolinate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)[C@@H]5CCC(=O)N5,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C27H34FNO7/c1-14-10-18-17-5-4-15-11-16(30)8-9-24(15,2)26(17,28)20(31)12-25(18,3)27(14,35)21(32)13-36-23(34)19-6-7-22(33)29-19/h8-9,11,14,17-20,31,35H,4-7,10,12-13H2,1-3H3,(H,29,33)",C27H34FNO7,,,,,,XNIWLMBDWOLLBA-KYAVKBBUSA-N,,,,,,,,,,,
100.089.475,298-469-1,93804-90-1,"5-oxo-L-proline, compound with (R)-5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diol (1:1)","5-oxo-L-proline - 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol (1:1)",CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34.OC(=O)[C@@H]5CCC(=O)N5,CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C17H17NO2.C5H7NO3/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;7-4-2-1-3(6-4)5(8)9/h2-6,13,19-20H,7-9H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C17H17NO2.C5H7NO3,,,,,,CVWLJKGFNVKDCY-KXDZPWPNSA-N,,,,,,,,,,,
100.089.479,298-473-3,93804-94-5,"5-oxo-L-proline, compound with diisopropylamine (1:1)",5-oxo-L-proline - N-isopropylpropan-2-amine (1:1),CC(C)NC(C)C.OC(=O)[C@@H]1CCC(=O)N1,CC(C)NC(C)C.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H15N.C5H7NO3/c1-5(2)7-6(3)4;7-4-2-1-3(6-4)5(8)9/h5-7H,1-4H3;3H,1-2H2,(H,6,7)(H,8,9)",C6H15N.C5H7NO3,,,,,,MLGJARJCVURXFZ-HVDRVSQOSA-N,,,,,,,,,,,
100.068.161,275-000-9,70900-28-6,"Trisodium 4-amino-3-[[4-[[[4-[(4-amino-2-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(4-amino-2-hydroxyphenyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-5-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6cc(N)ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5,[Na+].[Na+].[Na+].Oc6cc(N)ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5,"InChI=1/C35H27N9O12S3.3Na/c36-20-3-14-26(27(45)17-20)42-39-23-8-6-21(7-9-23)38-35(47)18-1-4-22(5-2-18)40-43-32-28(58(51,52)53)15-19-16-29(59(54,55)56)33(34(46)30(19)31(32)37)44-41-24-10-12-25(13-11-24)57(48,49)50;;;/h1-17,45-46H,36-37H2,(H,38,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C35H27N9O12S3.3Na,,,,,,VTXBLLCRTSBGBD-UHFFFAOYSA-K,,,,,,,,,,,
100.062.932,269-246-6,68201-95-6,"Disodium 7-[[4,6-bis[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate","disodium 7-({4,6-bis[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)Nc5nc(NCCO)nc(NCCO)n5)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)Nc5nc(NCCO)nc(NCCO)n5)S([O-])(=O)=O,"InChI=1/C29H28N10O9S2.2Na/c40-13-11-30-27-33-28(31-12-14-41)35-29(34-27)32-21-7-10-23-17(15-21)16-24(50(46,47)48)25(26(23)42)39-38-19-3-1-18(2-4-19)36-37-20-5-8-22(9-6-20)49(43,44)45;;/h1-10,15-16,40-42H,11-14H2,(H,43,44,45)(H,46,47,48)(H3,30,31,32,33,34,35);;/q;2*+1/p-2",C29H28N10O9S2.2Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18149,https://echa.europa.eu/substance-information/-/substanceinfo/100.062.932,CQCHRFWUILKHHB-UHFFFAOYSA-L,,,,,,,,,,,
100.062.942,269-257-6,68213-19-4,"3-amino-2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one hydrochloride","3-amino-2-hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one hydrochloride",Cl.CC1(C)CC(C)(C)C(=O)C(=C1N)O,Cl.CC1(C)CC(C)(C)C(=O)C(=C1N)O,"InChI=1/C10H17NO2.ClH/c1-9(2)5-10(3,4)8(13)6(12)7(9)11;/h12H,5,11H2,1-4H3;1H",C10H17NO2.ClH,,,,,,DBOBAIWCUWVXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.950,269-266-5,68213-80-9,"Phenol, compound with 1-aminopropane-2-ol (1:1)",1-aminopropan-2-ol - phenol (1:1),CC(O)CN.Oc1ccccc1,CC(O)CN.Oc1ccccc1,"InChI=1/C6H6O.C3H9NO/c7-6-4-2-1-3-5-6;1-3(5)2-4/h1-5,7H;3,5H,2,4H2,1H3",C6H6O.C3H9NO,,,,,,QZNXAYBIEPQEHN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.953,269-269-1,68213-86-5,"3,5-dimethylcyclohexylmethyl acetate","(3,5-dimethylcyclohexyl)methyl acetate",CC1CC(C)CC(COC(=O)C)C1,CC1CC(C)CC(COC(=O)C)C1,"InChI=1/C11H20O2/c1-8-4-9(2)6-11(5-8)7-13-10(3)12/h8-9,11H,4-7H2,1-3H3",C11H20O2,,,,,,OXVQPTPRLXNTPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.066.416,273-079-4,68937-68-8,"Carboxylic acids, C1-5",propionic acid,CCC(=O)O,CCC(=O)O,"InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",-,,,,,,XBDQKXXYIPTUBI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.785,301-009-5,93966-57-5,Propyl 2-cyano-3-(4-methoxyphenyl)acrylate,propyl 2-cyano-3-(4-methoxyphenyl)acrylate,CCCOC(=O)\\C(=C/c1ccc(OC)cc1)\\C#N,CCCOC(=O)\C(=C/c1ccc(OC)cc1)\C#N,"InChI=1/C14H15NO3/c1-3-8-18-14(16)12(10-15)9-11-4-6-13(17-2)7-5-11/h4-7,9H,3,8H2,1-2H3",C14H15NO3,,,,,,MAZUUFMIUTXWHD-XFXZXTDPSA-N,,,,,,,,,,,
100.091.789,301-013-7,93966-61-1,Bis[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl] azelate,bis{2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl} azelaate,[O-][N+](=O)c4ccc(N=Nc1ccc(cc1)N(CC)CCOC(=O)CCCCCCCC(=O)OCCN(CC)c3ccc(N=Nc2ccc(cc2C#N)[N+]([O-])=O)cc3)c(C#N)c4,[O-][N+](=O)c4ccc(N=Nc1ccc(cc1)N(CC)CCOC(=O)CCCCCCCC(=O)OCCN(CC)c3ccc(N=Nc2ccc(cc2C#N)[N+]([O-])=O)cc3)c(C#N)c4,"InChI=1/C43H46N10O8/c1-3-50(36-16-12-34(13-17-36)46-48-40-22-20-38(52(56)57)28-32(40)30-44)24-26-60-42(54)10-8-6-5-7-9-11-43(55)61-27-25-51(4-2)37-18-14-35(15-19-37)47-49-41-23-21-39(53(58)59)29-33(41)31-45/h12-23,28-29H,3-11,24-27H2,1-2H3",C43H46N10O8,,,,,,YLWIETZZQDBSBW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.796,301-021-0,93966-68-8,"Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium hydroxide","N-(4-{[4'-(dimethylamino)biphenyl-2-yl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydroxide",[OH-].CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3,[OH-].CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3,"InChI=1/C23H25N2.H2O/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;/h5-17H,1-4H3;1H2/q+1;/p-1",C23H25N2.HO,,,,,,KZXJXBAXWUEVIS-UHFFFAOYSA-M,,,,,,,,,,,
100.091.798,301-023-1,93966-70-2,"3,7-bis(diethylamino)phenoxazin-5-ium hydroxide","3,7-bis(diethylamino)phenoxazin-5-ium hydroxide",[OH-].CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,[OH-].CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,"InChI=1/C20H26N3O.H2O/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H2/q+1;/p-1",C20H26N3O.HO,,,,,,LSSWJMTZWUUZSB-UHFFFAOYSA-M,,,,,,,,,,,
100.091.801,301-026-8,93966-73-5,1-[2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]-4-methylpyridinium hydroxide,1-[2-({2-chloro-4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethyl]-4-methylpyridinium hydroxide,[OH-].Cc3cc[n+](CCNc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2Cl)cc3,[OH-].Cc3cc[n+](CCNc2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)cc2Cl)cc3,"InChI=1/C20H19ClN5O2.H2O/c1-15-8-11-25(12-9-15)13-10-22-20-7-4-17(14-19(20)21)24-23-16-2-5-18(6-3-16)26(27)28;/h2-9,11-12,14,22H,10,13H2,1H3;1H2/q+1;/p-1",C20H19ClN5O2.HO,,,,,,OXKZBIAIEVGEPD-UHFFFAOYSA-M,,,,,,,,,,,
100.091.387,300-571-9,93942-21-3,"N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadeca-9,12-dienamide monoacetate","N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octadeca-9,12-dienamide acetate",O=C(NCCNCCNCCNCCN)CCCCCCCC=CCC=CCCCCC.CC(O)=O,O=C(NCCNCCNCCNCCN)CCCCCCCC=CCC=CCCCCC.CC(O)=O,"InChI=1/C26H53N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h6-7,9-10,28-30H,2-5,8,11-25,27H2,1H3,(H,31,32);1H3,(H,3,4)",C26H53N5O.C2H4O2,,,,,,DBNNDOXHYSECRA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.389,300-574-5,93942-23-5,"N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadeca-9,12,15-trienamide monoacetate","N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octadeca-9,12,15-trienamide acetate",O=C(NCCNCCNCCNCCN)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,O=C(NCCNCCNCCNCCN)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,"InChI=1/C26H51N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h3-4,6-7,9-10,28-30H,2,5,8,11-25,27H2,1H3,(H,31,32);1H3,(H,3,4)",C26H51N5O.C2H4O2,,,,,,OKNRSUMEYTVJRE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.394,300-579-2,93942-28-0,"Undecanoic acid, compound with 2,2'-iminodiethanol (1:1)","undecanoic acid - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCC(=O)O.OCCNCCO,CCCCCCCCCCC(=O)O.OCCNCCO,"InChI=1/C11H22O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11(12)13;6-3-1-5-2-4-7/h2-10H2,1H3,(H,12,13);5-7H,1-4H2",C11H22O2.C4H11NO2,,,,,,UHDTYIMIPQQZGS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.395,300-580-8,93942-29-1,"Undecanoic acid, compound with 2-aminoethanol (1:1)",undecanoic acid - 2-aminoethanol (1:1),CCCCCCCCCCC(=O)O.NCCO,CCCCCCCCCCC(=O)O.NCCO,"InChI=1/C11H22O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;3-1-2-4/h2-10H2,1H3,(H,12,13);4H,1-3H2",C11H22O2.C2H7NO,,,,,,UEOFDRLDCMPPIU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.702,302-019-2,94088-21-8,Ethyl 2-hydroxycyclohexanepropionate,ethyl 3-(2-hydroxycyclohexyl)propanoate,CCOC(=O)CCC1CCCCC1O,CCOC(=O)CCC1CCCCC1O,"InChI=1/C11H20O3/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h9-10,12H,2-8H2,1H3",C11H20O3,,,,,,CEAWEXPAEZFKNK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.713,302-031-8,94088-32-1,"(Z)-1,1-diethoxyoct-4-ene","1,1-diethoxyoct-4-ene",CCC\\C=C/CCC(OCC)OCC,CCC\C=C/CCC(OCC)OCC,"InChI=1/C12H24O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h8-9,12H,4-7,10-11H2,1-3H3",C12H24O2,,,,,,XOVJTZPLLLGONX-HJWRWDBZSA-N,,,,,,,,,,,
100.092.715,302-033-9,94088-34-3,Isobutyl (E)-hex-2-enoate,isobutyl hex-2-enoate,CCC\\C=C\\C(=O)OCC(C)C,CCC\C=C\C(=O)OCC(C)C,"InChI=1/C10H18O2/c1-4-5-6-7-10(11)12-8-9(2)3/h6-7,9H,4-5,8H2,1-3H3",C10H18O2,,,,,,OBQBHLUEVSMCJS-VOTSOKGWSA-N,,,,,,,,,,,
100.092.717,302-036-5,94088-36-5,3-(2-furyl)propyl acrylate,3-(2-furyl)propyl acrylate,C=CC(=O)OCCCc1occc1,C=CC(=O)OCCCc1occc1,"InChI=1/C10H12O3/c1-2-10(11)13-8-4-6-9-5-3-7-12-9/h2-3,5,7H,1,4,6,8H2",C10H12O3,,,,,,XEIFSOMSFBBKNY-UHFFFAOYSA-N,,,,,,,,,,,
100.092.731,302-051-7,94088-50-3,5-[[4-[[[[4-[(4-chloro-3-sulphophenyl)azo]-2-ethoxy-5-methylphenyl]amino]carbonyl]amino]phenyl]azo]salicylic acid,5-({4-[({4-[(4-chloro-3-sulfophenyl)diazenyl]-2-ethoxy-5-methylphenyl}carbamoyl)amino]phenyl}diazenyl)-2-hydroxybenzoic acid,O=S(O)(=O)c1cc(ccc1Cl)N=Nc4cc(OCC)c(NC(=O)Nc3ccc(N=Nc2cc(C(O)=O)c(O)cc2)cc3)cc4C,O=S(O)(=O)c1cc(ccc1Cl)N=Nc4cc(OCC)c(NC(=O)Nc3ccc(N=Nc2cc(C(O)=O)c(O)cc2)cc3)cc4C,"InChI=1/C29H25ClN6O8S/c1-3-44-26-15-23(36-35-20-8-10-22(30)27(14-20)45(41,42)43)16(2)12-24(26)32-29(40)31-17-4-6-18(7-5-17)33-34-19-9-11-25(37)21(13-19)28(38)39/h4-15,37H,3H2,1-2H3,(H,38,39)(H2,31,32,40)(H,41,42,43)",C29H25ClN6O8S,,,,,,FTKOABBAIOOXDP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.734,302-054-3,94088-53-6,"2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[5-(acetylamino)benzoic] acid","2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[imino(1,3-dioxobutane-1,2-diyl)diazene-2,1-diyl]}bis(5-acetamidobenzoic acid)",CC(=O)Nc4ccc(N=NC(C(C)=O)C(=O)Nc1ccc(cc1C)c3ccc(NC(=O)C(N=Nc2ccc(cc2C(O)=O)NC(C)=O)C(C)=O)c(C)c3)c(c4)C(O)=O,CC(=O)Nc4ccc(N=NC(C(C)=O)C(=O)Nc1ccc(cc1C)c3ccc(NC(=O)C(N=Nc2ccc(cc2C(O)=O)NC(C)=O)C(C)=O)c(C)c3)c(c4)C(O)=O,"InChI=1/C40H38N8O10/c1-19-15-25(7-11-31(19)43-37(53)35(21(3)49)47-45-33-13-9-27(41-23(5)51)17-29(33)39(55)56)26-8-12-32(20(2)16-26)44-38(54)36(22(4)50)48-46-34-14-10-28(42-24(6)52)18-30(34)40(57)58/h7-18,35-36H,1-6H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,55,56)(H,57,58)",C40H38N8O10,,,,,,NWPSXVRZFXEAPH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.737,302-058-5,94088-56-9,[(pentadecyloxy)methyl]oxirane,2-[(pentadecyloxy)methyl]oxirane,CCCCCCCCCCCCCCCOCC1CO1,CCCCCCCCCCCCCCCOCC1CO1,"InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18-17-20-18/h18H,2-17H2,1H3",C18H36O2,,,,,,SNALIOQALXUVIF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.741,302-062-7,94088-61-6,"1-benzyl-3-[[4-(diethylamino)phenyl]azo]-4-methyl-5-phenyl-1H-1,2,4-triazolium methyl sulphate","1-benzyl-3-{[4-(diethylamino)phenyl]diazenyl}-4-methyl-5-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",[O-]S(=O)(=O)OC.CCN(CC)c1ccc(cc1)N=N\\C3=N\\[NH+](Cc2ccccc2)C(N3C)c4ccccc4,[O-]S(=O)(=O)OC.CCN(CC)c1ccc(cc1)N=N\C3=N\[NH+](Cc2ccccc2)C(N3C)c4ccccc4,"InChI=1/C26H30N6.CH4O4S/c1-4-31(5-2)24-18-16-23(17-19-24)27-28-26-29-32(20-21-12-8-6-9-13-21)25(30(26)3)22-14-10-7-11-15-22;1-5-6(2,3)4/h6-19,25H,4-5,20H2,1-3H3;1H3,(H,2,3,4)",C26H29N6.CH3O4S,,,,,,TXBYCIQJWGLANG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.576,298-581-0,93819-97-7,"N,N-bis(2-hydroxyethyl)-4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl]oxy]benzenesulphonamide","N,N-bis(2-hydroxyethyl)-4-{[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-en-1-yl]oxy}benzenesulfonamide",FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S(=O)(=O)N(CCO)CCO)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(F)C(C(=C(Oc1ccc(cc1)S(=O)(=O)N(CCO)CCO)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F,"InChI=1/C20H14F19NO5S/c21-14(22,23)11(13(18(31,32)33,16(27,28)19(34,35)36)17(29,30)20(37,38)39)12(15(24,25)26)45-9-1-3-10(4-2-9)46(43,44)40(5-7-41)6-8-42/h1-4,41-42H,5-8H2",C20H14F19NO5S,,,,,,HAONZHJETGCXMD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.582,298-587-3,93820-03-2,Dodec-2-enyloxirane,2-dodec-2-en-1-yloxirane,CCCCCCCCCC=CCC1CO1,CCCCCCCCCC=CCC1CO1,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h10-11,14H,2-9,12-13H2,1H3",C14H26O,,,,,,QNRDSEBPIRXMOA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.587,298-593-6,93820-08-7,3-chloro-2-hydroxybenzoyl chloride,3-chloro-2-hydroxybenzoyl chloride,Oc1c(Cl)cccc1C(=O)Cl,Oc1c(Cl)cccc1C(=O)Cl,"InChI=1/C7H4Cl2O2/c8-5-3-1-2-4(6(5)10)7(9)11/h1-3,10H",C7H4Cl2O2,,,,,,WYNNSVYZZSTMJA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.165,301-427-8,94021-33-7,"5-[[4-[[[4-[[2,4-dihydroxy-5-[[2-hydroxy-5-[(3-sulphophenyl)azo]phenyl]azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid","5-({4-[(4-{[2,4-dihydroxy-5-({2-hydroxy-5-[(3-sulfophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}phenyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoic acid",Oc3cc(O)c(cc3N=Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)ccc2O)N=Nc6ccc(NC(=O)c5ccc(N=Nc4cc(C(O)=O)c(O)cc4)cc5)cc6,Oc3cc(O)c(cc3N=Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)ccc2O)N=Nc6ccc(NC(=O)c5ccc(N=Nc4cc(C(O)=O)c(O)cc4)cc5)cc6,"InChI=1/C38H27N9O10S/c48-33-14-12-26(17-29(33)38(53)54)43-40-23-6-4-21(5-7-23)37(52)39-22-8-10-24(11-9-22)41-45-31-19-32(36(51)20-35(31)50)47-46-30-18-27(13-15-34(30)49)44-42-25-2-1-3-28(16-25)58(55,56)57/h1-20,48-51H,(H,39,52)(H,53,54)(H,55,56,57)",C38H27N9O10S,,,,,,SSNDPDUSNMRTPG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.176,301-439-3,94021-44-0,"2-(2,6-dimethyl-1,5-heptadien-1-yl)-1,3-oxathiolane","2-(2,6-dimethylhepta-1,5-dien-1-yl)-1,3-oxathiolane",C/C(C)=C\\CCC(C)=CC1OCCS1,C/C(C)=C\CCC(C)=CC1OCCS1,"InChI=1/C12H20OS/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3",C12H20OS,,,,,,HMOWOIXFMXZXDA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.178,301-441-4,94021-47-3,"2,2'-[[4,4'-bis[[1-hydroxy-6-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]-3-sulpho-2-naphthyl]azo][1,1'-biphenyl]-3,3'-diyl]bis(oxy)]bis(acetic) acid","2,2'-{[4,4'-bis({1-hydroxy-6-[(4-{[(2-methoxyethoxy)carbonyl]amino}phenyl)amino]-3-sulfo-2-naphthyl}diazenyl)biphenyl-3,3'-diyl]bis(oxy)}diacetic acid",COCCOC(=O)Nc1ccc(cc1)Nc7cc8cc(c(N=Nc2ccc(cc2OCC(O)=O)c3cc(OCC(O)=O)c(cc3)N=Nc6c(cc5cc(Nc4ccc(NC(=O)OCCOC)cc4)ccc5c6O)S(O)(=O)=O)c(O)c8cc7)S(O)(=O)=O,COCCOC(=O)Nc1ccc(cc1)Nc7cc8cc(c(N=Nc2ccc(cc2OCC(O)=O)c3cc(OCC(O)=O)c(cc3)N=Nc6c(cc5cc(Nc4ccc(NC(=O)OCCOC)cc4)ccc5c6O)S(O)(=O)=O)c(O)c8cc7)S(O)(=O)=O,"InChI=1/C56H50N8O20S2/c1-79-19-21-81-55(71)59-37-9-5-35(6-10-37)57-39-13-15-41-33(23-39)27-47(85(73,74)75)51(53(41)69)63-61-43-17-3-31(25-45(43)83-29-49(65)66)32-4-18-44(46(26-32)84-30-50(67)68)62-64-52-48(86(76,77)78)28-34-24-40(14-16-42(34)54(52)70)58-36-7-11-38(12-8-36)60-56(72)82-22-20-80-2/h3-18,23-28,57-58,69-70H,19-22,29-30H2,1-2H3,(H,59,71)(H,60,72)(H,65,66)(H,67,68)(H,73,74,75)(H,76,77,78)",C56H50N8O20S2,,,,,,YCNADHYKWLHUMH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.192,301-457-1,94021-62-2,"Octahydrodimethyl-4,7-methano-1H-indenol","1,2-dimethyloctahydro-1H-4,7-methanoinden-1-ol",CC1CC2C3CCC(C3)C2C1(C)O,CC1CC2C3CCC(C3)C2C1(C)O,"InChI=1/C12H20O/c1-7-5-10-8-3-4-9(6-8)11(10)12(7,2)13/h7-11,13H,3-6H2,1-2H3",C12H20O,,,,,,LZVLXBZBYFFUDV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.193,301-458-7,94021-63-3,"Octahydrodimethyl-4,7-methano-1H-indenone","2,2-dimethyloctahydro-1H-4,7-methanoinden-1-one",CC1(C)CC2C3CCC(C3)C2C1=O,CC1(C)CC2C3CCC(C3)C2C1=O,"InChI=1/C12H18O/c1-12(2)6-9-7-3-4-8(5-7)10(9)11(12)13/h7-10H,3-6H2,1-2H3",C12H18O,,,,,,ATUUICDEYFQCRY-UHFFFAOYSA-N,,,,,,,,,,,
100.085.263,293-825-2,91263-67-1,Bis[N-[3-(dimethylamino)propyl]methacrylamide] sulphate,N-[3-(dimethylamino)propyl]-2-methylacrylamide sulfate (2:1),CN(C)CCCNC(=O)C(=C)C.CN(C)CCCNC(=O)C(=C)C.OS(=O)(=O)O,CN(C)CCCNC(=O)C(=C)C.CN(C)CCCNC(=O)C(=C)C.OS(=O)(=O)O,"InChI=1/2C9H18N2O.H2O4S/c2*1-8(2)9(12)10-6-5-7-11(3)4;1-5(2,3)4/h2*1,5-7H2,2-4H3,(H,10,12);(H2,1,2,3,4)",C9H18N2O.1/2H2O4S,,,,,,AZAAEUBSXMSVKL-UHFFFAOYSA-N,,,,,,,,,,,
100.085.268,293-831-5,91434-08-1,3-chloronon-1-ene,3-chloronon-1-ene,CCCCCCC(Cl)C=C,CCCCCCC(Cl)C=C,"InChI=1/C9H17Cl/c1-3-5-6-7-8-9(10)4-2/h4,9H,2-3,5-8H2,1H3",C9H17Cl,,,,,,WQEMCADLIQDYOT-UHFFFAOYSA-N,,,,,,,,,,,
100.085.273,293-836-2,91458-04-7,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methylcyclohexane,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-2-methylcyclohexane,CC1CC(CC2CCC(CC2)N=C=O)CCC1N=C=O,CC1CC(CC2CCC(CC2)N=C=O)CCC1N=C=O,"InChI=1/C16H24N2O2/c1-12-8-14(4-7-16(12)18-11-20)9-13-2-5-15(6-3-13)17-10-19/h12-16H,2-9H2,1H3",C16H24N2O2,,,,,,GJODKDBGLQHWKX-UHFFFAOYSA-N,,,,,,,,,,,
100.085.276,293-839-9,91506-05-7,4-bromo-2-chloro-6-methylanisole,4-bromo-2-chloro-6-methylphenyl methyl ether,COc1c(C)cc(Br)cc1Cl,COc1c(C)cc(Br)cc1Cl,"InChI=1/C8H8BrClO/c1-5-3-6(9)4-7(10)8(5)11-2/h3-4H,1-2H3",C8H8BrClO,,,,,,YSTRJVIMBHPGBW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.487,298-482-2,93805-02-8,"Disodium 4-[bis[4-(dimethylamino)phenyl]methyl]-3-hydroxynaphthalene-2,7-disulphonate","disodium 4-{bis[4-(dimethylamino)phenyl]methyl}-3-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3c(O)c(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3c(O)c(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C27H28N2O7S2.2Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;;/h5-16,25,30H,1-4H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C27H28N2O7S2.2Na,,,,,,JIVZRIUOOMKRKW-UHFFFAOYSA-L,,,,,,,,,,,
100.093.422,302-811-8,94134-43-7,"2,2'-[heptylidenebis(thiomethylene)]bisfuran","2,2'-[heptane-1,1-diylbis(sulfanediylmethylene)]difuran",CCCCCCC(SCc1occc1)SCc2occc2,CCCCCCC(SCc1occc1)SCc2occc2,"InChI=1/C17H24O2S2/c1-2-3-4-5-10-17(20-13-15-8-6-11-18-15)21-14-16-9-7-12-19-16/h6-9,11-12,17H,2-5,10,13-14H2,1H3",C17H24O2S2,,,,,,VIWIRDPFLLRHDY-UHFFFAOYSA-N,,,,,,,,,,,
100.093.423,302-812-3,94134-44-8,"Bis(3,7-dimethyloctyl) oxalate","bis(3,7-dimethyloctyl) oxalate",CC(C)CCCC(C)CCOC(=O)C(=O)OCCC(C)CCCC(C)C,CC(C)CCCC(C)CCOC(=O)C(=O)OCCC(C)CCCC(C)C,"InChI=1/C22H42O4/c1-17(2)9-7-11-19(5)13-15-25-21(23)22(24)26-16-14-20(6)12-8-10-18(3)4/h17-20H,7-16H2,1-6H3",C22H42O4,,,,,,JOXPDGWFATYEII-UHFFFAOYSA-N,,,,,,,,,,,
100.093.426,302-816-5,94134-47-1,Ethyl 2-phenylethyl oxalate,ethyl 2-phenylethyl oxalate,CCOC(=O)C(=O)OCCc1ccccc1,CCOC(=O)C(=O)OCCc1ccccc1,"InChI=1/C12H14O4/c1-2-15-11(13)12(14)16-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",C12H14O4,,,,,,XWROHOGFYZQROV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.431,302-821-2,94134-52-8,"Tetrapotassium 4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonate","tetrapotassium 4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonate",[K+].[K+].[K+].[K+].Oc1ccc(cc1)N=Nc4ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)N=Nc3ccc(O)cc3)c(c4)S([O-])(=O)=O.Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,[K+].[K+].[K+].[K+].Oc1ccc(cc1)N=Nc4ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)N=Nc3ccc(O)cc3)c(c4)S([O-])(=O)=O.Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,"InChI=1/2C26H20N4O8S2.4K/c2*31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;;;/h2*1-16,31-32H,(H,33,34,35)(H,36,37,38);;;;/q;;4*+1/p-4",C26H20N4O8S2.4K,,,,,,WXNVJTYFSVUJPD-DZKCXPLLSA-J,,,,,,,,,,,
100.093.432,302-822-8,94134-53-9,"4,5,7-triacetoxy-2-[3,4-bis(acetoxy)phenyl]-4H-1-benzopyran-3-yl-6-O-(2,3,4-tri-O-acetyl-6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranoside triacetate","4,5,7-triacetoxy-2-[3,4-bis(acetoxy)phenyl]-4H-1-benzopyran-3-yl-6-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside triacetate",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H]([O-])[C@H](OC3=C(Oc4cc(OC(=O)C)cc(OC(=O)C)c4C3OC(=O)C)c5ccc(OC(=O)C)c(OC(=O)C)c5)[C@@H](O)[C@@H]2O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],C[C@@H]1O[C@@H](OC[C@H]2O[C@@H]([O-])[C@H](OC3=C(Oc4cc(OC(=O)C)cc(OC(=O)C)c4C3OC(=O)C)c5ccc(OC(=O)C)c(OC(=O)C)c5)[C@@H](O)[C@@H]2O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/C43H47O24.3C2H4O2/c1-16-35(61-21(6)48)39(63-23(8)50)41(64-24(9)51)43(56-16)55-15-31-33(52)34(53)38(42(54)66-31)67-40-36(25-10-11-27(58-18(3)45)28(12-25)59-19(4)46)65-30-14-26(57-17(2)44)13-29(60-20(5)47)32(30)37(40)62-22(7)49;3*1-2(3)4/h10-14,16,31,33-35,37-39,41-43,52-53H,15H2,1-9H3;3*1H3,(H,3,4)/q-1;;;/p-3",C49H54O27,,,,,,JORTXHRNTWNZKS-PVPSQCKNSA-K,,,,,,,,,,,
100.093.440,302-831-7,94134-61-9,"Formic acid, compound with N-[3-[(3-aminopropyl)amino]propyl]stearamide (1:1)",formic acid - N-{3-[(3-aminopropyl)amino]propyl}octadecanamide (1:1),CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCN.OC=O,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCN.OC=O,"InChI=1/C24H51N3O.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(28)27-23-18-22-26-21-17-20-25;2-1-3/h26H,2-23,25H2,1H3,(H,27,28);1H,(H,2,3)",C24H51N3O.CH2O2,,,,,,WAXFGDSCGVNGGC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.444,302-835-9,94134-65-3,Sodium 5-acetyl-2-(hexadecyloxy)benzenesulphonate,sodium 5-acetyl-2-(hexadecyloxy)benzenesulfonate,[Na+].CCCCCCCCCCCCCCCCOc1ccc(cc1S(=O)(=O)[O-])C(=O)C,[Na+].CCCCCCCCCCCCCCCCOc1ccc(cc1S(=O)(=O)[O-])C(=O)C,"InChI=1/C24H40O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-23-18-17-22(21(2)25)20-24(23)30(26,27)28;/h17-18,20H,3-16,19H2,1-2H3,(H,26,27,28);/q;+1/p-1",C24H40O5S.Na,,,,,,LXLBWODRGWJMLM-UHFFFAOYSA-M,,,,,,,,,,,
100.093.445,302-836-4,94134-66-4,"2-allyloctahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one","2-allyl-7-methyloctahydro-1,4-methanonaphthalen-6(2H)-one",CC1CC2C3CC(CC3CC=C)C2CC1=O,CC1CC2C3CC(CC3CC=C)C2CC1=O,"InChI=1/C15H22O/c1-3-4-10-6-11-7-12(10)14-5-9(2)15(16)8-13(11)14/h3,9-14H,1,4-8H2,2H3",C15H22O,,,,,,UCHJHXMSDQOFQM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.447,302-839-0,94134-70-0,Sodium 3-[[[ethyl[(ethylamino)thioxomethyl]amino]thioxomethyl]thio]propanesulphonate,sodium 3-{[ethyl(ethylcarbamothioyl)carbamothioyl]sulfanyl}propane-1-sulfonate,[Na+].CCNC(=S)N(CC)C(=S)SCCCS(=O)(=O)[O-],[Na+].CCNC(=S)N(CC)C(=S)SCCCS(=O)(=O)[O-],"InChI=1/C9H18N2O3S4.Na/c1-3-10-8(15)11(4-2)9(16)17-6-5-7-18(12,13)14;/h3-7H2,1-2H3,(H,10,15)(H,12,13,14);/q;+1/p-1",C9H18N2O3S4.Na,,,,,,HVUSVXAJKWEJGA-UHFFFAOYSA-M,,,,,,,,,,,
100.093.452,302-844-8,94134-75-5,"Salicylic acid, compound with 3-(2,5-dimethyl-1-pyrrolidinyl)propyl salicylate (1:1)","2-hydroxybenzoic acid - 3-(2,5-dimethylpyrrolidin-1-yl)propyl 2-hydroxybenzoate (1:1)",CC1CCC(C)N1CCCOC(=O)c2ccccc2O.OC(=O)c3ccccc3O,CC1CCC(C)N1CCCOC(=O)c2ccccc2O.OC(=O)c3ccccc3O,"InChI=1/C16H23NO3.C7H6O3/c1-12-8-9-13(2)17(12)10-5-11-20-16(19)14-6-3-4-7-15(14)18;8-6-4-2-1-3-5(6)7(9)10/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3;1-4,8H,(H,9,10)",C16H23NO3.C7H6O3,,,,,,DWXRUZDBZCCIRV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.802,301-027-3,93966-74-6,Lead pentadecanoate,lead(4+) tetrapentadecanoate,[Pb].OC(=O)CCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCC,"InChI=1/C15H30O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;;;/h2-14H2,1H3,(H,16,17);;;/q;+4;;/rC15H30O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);1H2/q;+4",C15H30O2.xPb,,,,,,QEBYPIJMSNLGDF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.803,301-028-9,93966-75-7,Magnesium pentadecanoate,magnesium dipentadecanoate,[Mg+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C15H30O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2",C15H30O2.1/2Mg,,,,,,ZIUUUAJTAOQFCJ-UHFFFAOYSA-L,,,,,,,,,,,
100.091.812,301-038-3,93980-60-0,Docosyl dihydrogen citrate,2-[2-(docosyloxy)-2-oxoethyl]-2-hydroxysuccinic acid,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C28H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-26(31)24-28(34,27(32)33)23-25(29)30/h34H,2-24H2,1H3,(H,29,30)(H,32,33)",C28H52O7,,,,,,NAZHSSDKCGVJMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.174,275-015-0,70910-29-1,2-chloro-3-isopropyl-6-methylphenol,2-chloro-3-isopropyl-6-methylphenol,CC(C)c1ccc(C)c(O)c1Cl,CC(C)c1ccc(C)c(O)c1Cl,"InChI=1/C10H13ClO/c1-6(2)8-5-4-7(3)10(12)9(8)11/h4-6,12H,1-3H3",C10H13ClO,,,,,,COJGWGSVTCWAGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.175,275-016-6,70911-43-2,"2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulphophenyl)ethyl]-3-pyridyl]azo]-5-[(3-phosphonophenyl)azo]benzenesulphonic acid","2-({5-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfophenyl)ethyl]-1,6-dihydropyridin-3-yl}diazenyl)-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid",OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=N/C3=C(\\O)N(CCc2ccc(cc2)S(O)(=O)=O)C(=O)/C(=C3/C)C(N)=O)c(c4)S(O)(=O)=O,OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=N/C3=C(\O)N(CCc2ccc(cc2)S(O)(=O)=O)C(=O)/C(=C3/C)C(N)=O)c(c4)S(O)(=O)=O,"InChI=1/C27H25N6O12PS2/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39/h2-10,13-14,36H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45)",C27H25N6O12PS2,,,,,,GDGMAJNOWOCSGR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.183,275-025-5,70917-34-9,"1-methylethyl 1,4-diamino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylate","isopropyl 1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate",CC(C)OC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,CC(C)OC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,"InChI=1/C18H16N2O4/c1-8(2)24-18(23)11-7-12(19)13-14(15(11)20)17(22)10-6-4-3-5-9(10)16(13)21/h3-8H,19-20H2,1-2H3",C18H16N2O4,,,,,,KQBPPKIWYDVYHG-UHFFFAOYSA-N,,,,,,,,,,,
100.068.184,275-026-0,70927-25-2,"2,5,8,11-tetramethyl-3,6,9,12-tetraoxahexadecan-1-ol","2,5,8,11-tetramethyl-3,6,9,12-tetraoxahexadecan-1-ol",CCCCOC(C)COC(C)COC(C)COC(C)CO,CCCCOC(C)COC(C)COC(C)COC(C)CO,"InChI=1/C16H34O5/c1-6-7-8-18-14(3)10-20-16(5)12-21-15(4)11-19-13(2)9-17/h13-17H,6-12H2,1-5H3",C16H34O5,,,,,,PCCUVQJBCDUUMM-UHFFFAOYSA-N,,,,,,,,,,,
100.068.186,275-028-1,70931-18-9,"4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol","2-[4-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]ethanol",CC(C)c1ccc2Sc3cc(F)ccc3CC(N4CCN(CCO)CC4)c2c1,CC(C)c1ccc2Sc3cc(F)ccc3CC(N4CCN(CCO)CC4)c2c1,"InChI=1/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3",C23H29FN2OS,,,,,,XDBMBHVYXPBOPL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.194,275-037-0,70942-29-9,"Dimethyl 10-[[2-[(5-methoxy-1,5-dioxopentyl)oxy]ethyl]thio]-10-methyl-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecanedioate","dimethyl 10-({2-[(5-methoxy-5-oxopentanoyl)oxy]ethyl}sulfanyl)-10-methyl-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecane-1,19-dioate",COC(=O)CCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCC(=O)OC)SCCOC(=O)CCCC(=O)OC,COC(=O)CCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCC(=O)OC)SCCOC(=O)CCCC(=O)OC,"InChI=1/3C8H14O4S.CH3.Sn/c3*1-11-7(9)3-2-4-8(10)12-5-6-13;;/h3*13H,2-6H2,1H3;1H3;/q;;;;+3/p-3/rC25H42O12S3Sn/c1-32-20(26)8-5-11-23(29)35-14-17-38-41(4,39-18-15-36-24(30)12-6-9-21(27)33-2)40-19-16-37-25(31)13-7-10-22(28)34-3/h5-19H2,1-4H3",C25H42O12S3Sn,,,,,,MOSLCVNRJNZRRJ-UHFFFAOYSA-K,,,,,,,,,,,
100.068.195,275-038-6,70942-30-2,"2-(dimethylamino)ethyl 11,11-dibutyl-2-methyl-6,9,13-trioxo-5,10,12-trioxa-2-aza-11-stannahexadecan-16-oate","2-(dimethylamino)ethyl 11,11-dibutyl-2-methyl-6,9,13-trioxo-5,10,12-trioxa-2-aza-11-stannahexadecan-16-oate",CCCC[Sn](CCCC)(OC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)OCCN(C)C,CCCC[Sn](CCCC)(OC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)OCCN(C)C,"InChI=1/2C8H15NO4.2C4H9.Sn/c2*1-9(2)5-6-13-8(12)4-3-7(10)11;2*1-3-4-2;/h2*3-6H2,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H46N2O8Sn/c1-7-9-19-35(20-10-8-2,33-23(29)13-11-21(27)31-17-15-25(3)4)34-24(30)14-12-22(28)32-18-16-26(5)6/h7-20H2,1-6H3",C24H46N2O8Sn,,,,,,PCHWBHIQIOTFDH-UHFFFAOYSA-L,,,,,,,,,,,
100.068.197,275-040-7,70942-32-4,2-mercaptoethyl methyl glutarate,methyl 2-sulfanylethyl glutarate,COC(=O)CCCC(=O)OCCS,COC(=O)CCCC(=O)OCCS,"InChI=1/C8H14O4S/c1-11-7(9)3-2-4-8(10)12-5-6-13/h13H,2-6H2,1H3",C8H14O4S,,,,,,IRVQVEXKPWNYRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.256,301-528-7,94022-32-9,Oxacycloheptadec-13-en-2-one,oxacycloheptadec-13-en-2-one,O=C1CCCCCCCCCC\\C=C\\CCCO1,O=C1CCCCCCCCCC\C=C\CCCO1,"InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h7,9H,1-6,8,10-15H2",C16H28O2,,,,,,XWCWYOGCIDZQFF-VQHVLOKHSA-N,,,,,,,,,,,
100.092.264,301-537-6,94022-40-9,"4-amino-3-[[4'-[(2,4-dihydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","4-amino-3-({4'-[(2,4-dihydroxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Oc6cc(O)ccc6N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S(O)(=O)=O)c(O)c3c4N)S(O)(=O)=O)S(O)(=O)=O)c(C)c5,Oc6cc(O)ccc6N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S(O)(=O)=O)c(O)c3c4N)S(O)(=O)=O)S(O)(=O)=O)c(C)c5,"InChI=1/C36H29N7O12S3/c1-18-13-20(3-10-26(18)39-41-28-12-7-24(44)17-29(28)45)21-4-11-27(19(2)14-21)40-42-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)37)43-38-23-5-8-25(9-6-23)56(47,48)49/h3-17,44-46H,37H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)",C36H29N7O12S3,,,,,,YFOGNRPIBSQHTC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.267,301-540-2,94022-43-2,"5-[[4'-[(2-amino-8-hydroxy-6-sulphonaphthalen-1-yl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylic acid","5-({4'-[(2-amino-8-hydroxy-6-sulfo-1-naphthyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-2-hydroxybenzoic acid",O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(O)cc(cc4ccc3N)S(O)(=O)=O)c(C)c5,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(O)cc(cc4ccc3N)S(O)(=O)=O)c(C)c5,"InChI=1/C31H25N5O7S/c1-16-11-18(4-8-25(16)34-33-21-6-10-27(37)23(14-21)31(39)40)19-5-9-26(17(2)12-19)35-36-30-24(32)7-3-20-13-22(44(41,42)43)15-28(38)29(20)30/h3-15,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)",C31H25N5O7S,,,,,,BSRHQNUCTUCPQX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.283,301-558-0,94022-60-3,"4-methyl-2-(3-methylbicyclo[2.2.1]hept-2-yl)-1,3-dioxane","4-methyl-2-(3-methylbicyclo[2.2.1]hept-2-yl)-1,3-dioxane",CC1CCOC(O1)C2C3CCC(C3)C2C,CC1CCOC(O1)C2C3CCC(C3)C2C,"InChI=1/C13H22O2/c1-8-5-6-14-13(15-8)12-9(2)10-3-4-11(12)7-10/h8-13H,3-7H2,1-2H3",C13H22O2,,,,,,NZNMERMNWRADLK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.285,301-560-1,94022-62-5,"4,4,6-trimethylbicyclo[4.2.0]oct-2-yl acetate","4,4,6-trimethylbicyclo[4.2.0]oct-2-yl acetate",CC(=O)OC1CC(C)(C)CC2(C)CCC12,CC(=O)OC1CC(C)(C)CC2(C)CCC12,"InChI=1/C13H22O2/c1-9(14)15-11-7-12(2,3)8-13(4)6-5-10(11)13/h10-11H,5-8H2,1-4H3",C13H22O2,,,,,,LYEOSMYGBISMGN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.286,301-561-7,94022-63-6,3-(bicyclo[2.2.1]hept-5-en-2-yl)-2-methylallyl acetate,3-bicyclo[2.2.1]hept-5-en-2-yl-2-methylprop-2-en-1-yl acetate,CC(=O)OC\\C(=C\\C1CC2CC1C=C2)\\C,CC(=O)OC\C(=C\C1CC2CC1C=C2)\C,"InChI=1/C13H18O2/c1-9(8-15-10(2)14)5-13-7-11-3-4-12(13)6-11/h3-5,11-13H,6-8H2,1-2H3",C13H18O2,,,,,,QNNYYPAKSALPHF-WEVVVXLNSA-N,,,,,,,,,,,
100.092.287,301-562-2,94022-64-7,"2-(1,1-dimethyl-2-phenylethyl)-1,3-dioxolane","2-(1,1-dimethyl-2-phenylethyl)-1,3-dioxolane",CC(C)(Cc1ccccc1)C2OCCO2,CC(C)(Cc1ccccc1)C2OCCO2,"InChI=1/C13H18O2/c1-13(2,12-14-8-9-15-12)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3",C13H18O2,,,,,,OTUUNSFDBLUQAF-UHFFFAOYSA-N,,,,,,,,,,,
100.087.611,296-416-7,92668-87-6,6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium chloride,6-chloro-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-methylbenzo[cd]indolium chloride,[Cl-].CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34,[Cl-].CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34,"InChI=1/C22H22ClN2O.ClH/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;/h4-12,26H,3,13-14H2,1-2H3;1H/q+1;/p-1",C22H22ClN2O.Cl,,,,,,HBZGIOLWTCTCOX-UHFFFAOYSA-M,,,,,,,,,,,
100.089.250,298-222-8,93783-16-5,2-[(2-chloro-1-oxoethyl)amino]ethyl acetate,2-[(chloroacetyl)amino]ethyl acetate,CC(=O)OCCNC(=O)CCl,CC(=O)OCCNC(=O)CCl,"InChI=1/C6H10ClNO3/c1-5(9)11-3-2-8-6(10)4-7/h2-4H2,1H3,(H,8,10)",C6H10ClNO3,,,,,,VQBLXJYMFADQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.453,302-845-3,94134-76-6,"3-heptylidenepentane-2,4-dione","3-heptylidenepentane-2,4-dione",CCCCCCC=C(C(=O)C)C(=O)C,CCCCCCC=C(C(=O)C)C(=O)C,"InChI=1/C12H20O2/c1-4-5-6-7-8-9-12(10(2)13)11(3)14/h9H,4-8H2,1-3H3",C12H20O2,,,,,,IKWSCVCGBUEZJD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.454,302-846-9,94134-77-7,"1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)allyl phenylacetate","1-methyl-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-2-en-1-yl phenylacetate",CC(OC(=O)Cc1ccccc1)\\C=C\\C2=C(C)CCCC2(C)C,CC(OC(=O)Cc1ccccc1)\C=C\C2=C(C)CCCC2(C)C,"InChI=1/C21H28O2/c1-16-9-8-14-21(3,4)19(16)13-12-17(2)23-20(22)15-18-10-6-5-7-11-18/h5-7,10-13,17H,8-9,14-15H2,1-4H3",C21H28O2,,,,,,NSLVGUNYRZBFJP-OUKQBFOZSA-N,,,,,,,,,,,
100.093.455,302-847-4,94134-78-8,4-(diphenoxymethyl)-2-methoxyphenol,4-(diphenoxymethyl)-2-methoxyphenol,COc1cc(ccc1O)C(Oc2ccccc2)Oc3ccccc3,COc1cc(ccc1O)C(Oc2ccccc2)Oc3ccccc3,"InChI=1/C20H18O4/c1-22-19-14-15(12-13-18(19)21)20(23-16-8-4-2-5-9-16)24-17-10-6-3-7-11-17/h2-14,20-21H,1H3",C20H18O4,,,,,,FKHMCEUDQOCNQU-UHFFFAOYSA-N,,,,,,,,,,,
100.068.200,275-043-3,70942-36-8,"Dimethyl 10-butyl-10-[[2-[(5-methoxy-1,5-dioxopentyl)oxy]ethyl]thio]-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecanedioate","dimethyl 10-butyl-10-({2-[(5-methoxy-5-oxopentanoyl)oxy]ethyl}sulfanyl)-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecane-1,19-dioate",CCCC[Sn](SCCOC(=O)CCCC(=O)OC)(SCCOC(=O)CCCC(=O)OC)SCCOC(=O)CCCC(=O)OC,CCCC[Sn](SCCOC(=O)CCCC(=O)OC)(SCCOC(=O)CCCC(=O)OC)SCCOC(=O)CCCC(=O)OC,"InChI=1/3C8H14O4S.C4H9.Sn/c3*1-11-7(9)3-2-4-8(10)12-5-6-13;1-3-4-2;/h3*13H,2-6H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC28H48O12S3Sn/c1-5-6-22-44(41-19-16-38-26(32)13-7-10-23(29)35-2,42-20-17-39-27(33)14-8-11-24(30)36-3)43-21-18-40-28(34)15-9-12-25(31)37-4/h5-22H2,1-4H3",C28H48O12S3Sn,,,,,,CAKFTADZGWLUAD-UHFFFAOYSA-K,,,,,,,,,,,
100.068.203,275-047-5,70942-42-6,"2,2-bis[[3-(octylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(octylthio)propionate]","3-{[3-(octylsulfanyl)propanoyl]oxy}-2,2-bis({[3-(octylsulfanyl)propanoyl]oxy}methyl)propyl 3-(octylsulfanyl)propanoate (non-preferred name)",CCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCC)(COC(=O)CCSCCCCCCCC)COC(=O)CCSCCCCCCCC,CCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCC)(COC(=O)CCSCCCCCCCC)COC(=O)CCSCCCCCCCC,"InChI=1/C49H92O8S4/c1-5-9-13-17-21-25-33-58-37-29-45(50)54-41-49(42-55-46(51)30-38-59-34-26-22-18-14-10-6-2,43-56-47(52)31-39-60-35-27-23-19-15-11-7-3)44-57-48(53)32-40-61-36-28-24-20-16-12-8-4/h5-44H2,1-4H3",C49H92O8S4,,,,,,RKRWNUJRTRJCND-UHFFFAOYSA-N,,,,,,,,,,,
100.062.959,269-275-4,68213-93-4,"N,N'-(9,10-dihydro-4,5-dinitro-9,10-dioxo-1,8-anthracenediyl)bisacetamide","N,N'-(4,5-dinitro-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl)diacetamide",CC(=O)Nc1ccc(c2C(=O)c3c(C(=O)c12)c(NC(=O)C)ccc3[N+](=O)[O-])[N+](=O)[O-],CC(=O)Nc1ccc(c2C(=O)c3c(C(=O)c12)c(NC(=O)C)ccc3[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H12N4O8/c1-7(23)19-9-3-5-11(21(27)28)15-13(9)17(25)14-10(20-8(2)24)4-6-12(22(29)30)16(14)18(15)26/h3-6H,1-2H3,(H,19,23)(H,20,24)",C18H12N4O8,,,,,,QZNQEOQENXBFPL-UHFFFAOYSA-N,,,,,,,,,,,
100.062.961,269-278-0,68213-97-8,Benzyltrioctadecylammonium chloride,"N-benzyl-N,N-dioctadecyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)Cc1ccccc1,"InChI=1/C61H118N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52-57-62(60-61-55-50-49-51-56-61,58-53-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)59-54-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h49-51,55-56H,4-48,52-54,57-60H2,1-3H3;1H/q+1;/p-1",C61H118N.Cl,,,,,,GEIOGQZUWHHRLM-UHFFFAOYSA-M,,,,,,,,,,,
100.062.963,269-280-1,68214-00-6,4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulphonic acid,4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid,Oc1cc(cc2cc(NC(=O)c3cccc(c3)[N+](=O)[O-])ccc12)S(=O)(=O)O,Oc1cc(cc2cc(NC(=O)c3cccc(c3)[N+](=O)[O-])ccc12)S(=O)(=O)O,"InChI=1/C17H12N2O7S/c20-16-9-14(27(24,25)26)8-11-6-12(4-5-15(11)16)18-17(21)10-2-1-3-13(7-10)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)",C17H12N2O7S,,,,,,KHRQOWDLOIPDEV-UHFFFAOYSA-N,,,,,,,,,,,
100.062.965,269-282-2,68214-02-8,"Disodium 8-[(4-amino-2,5-dimethoxyphenyl)azo]-5-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 8-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-5-[(3-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].COc4cc(N)c(cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)OC,[Na+].[Na+].COc4cc(N)c(cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)OC,"InChI=1/C24H21N5O8S2.2Na/c1-36-23-13-22(24(37-2)12-19(23)25)29-28-21-9-8-20(17-7-6-16(11-18(17)21)39(33,34)35)27-26-14-4-3-5-15(10-14)38(30,31)32;;/h3-13H,25H2,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C24H21N5O8S2.2Na,,,,,,AFBIPPFHGMHBSS-UHFFFAOYSA-L,,,,,,,,,,,
100.062.966,269-283-8,68214-03-9,"Trisodium 7-[(4-aminobenzoyl)amino]-4-[[2,5-dimethoxy-4-[[7-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]phenyl]azo]-3-hydroxynaphthalene-1-sulphonate","trisodium 7-[(4-aminobenzoyl)amino]-4-{[2,5-dimethoxy-4-({7-sulfonato-4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)phenyl]diazenyl}-3-hydroxynaphthalene-1-sulfonate",[Na+].[Na+].[Na+].COc7cc(N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)c(cc7N=Nc6c5ccc(NC(=O)c4ccc(N)cc4)cc5c(cc6O)S([O-])(=O)=O)OC,[Na+].[Na+].[Na+].COc7cc(N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccc(cc23)S([O-])(=O)=O)c(cc7N=Nc6c5ccc(NC(=O)c4ccc(N)cc4)cc5c(cc6O)S([O-])(=O)=O)OC,"InChI=1/C41H32N8O13S3.3Na/c1-61-37-20-35(48-49-40-29-12-10-24(43-41(51)22-6-8-23(42)9-7-22)17-31(29)39(21-36(40)50)65(58,59)60)38(62-2)19-34(37)47-46-33-15-14-32(28-13-11-27(18-30(28)33)64(55,56)57)45-44-25-4-3-5-26(16-25)63(52,53)54;;;/h3-21,50H,42H2,1-2H3,(H,43,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3",C41H32N8O13S3.3Na,,,,,,YYZNZWHYMPSAOU-UHFFFAOYSA-K,,,,,,,,,,,
100.093.456,302-849-5,94134-79-9,"1,1'-[(3,7-dimethylocta-2,6-dienylidene)bis(oxy)]dipropan-2-ol","1,1'-[(3,7-dimethylocta-2,6-diene-1,1-diyl)bis(oxy)]dipropan-2-ol",OC(C)COC(OCC(O)C)C=C(C)CC\\C=C(/C)C,OC(C)COC(OCC(O)C)C=C(C)CC\C=C(/C)C,"InChI=1/C16H30O4/c1-12(2)7-6-8-13(3)9-16(19-10-14(4)17)20-11-15(5)18/h7,9,14-18H,6,8,10-11H2,1-5H3",C16H30O4,,,,,,MAOZUHCHTZKVDC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.463,302-856-3,94134-86-8,5-butyl-o-cresol,5-butyl-2-methylphenol,CCCCc1ccc(C)c(O)c1,CCCCc1ccc(C)c(O)c1,"InChI=1/C11H16O/c1-3-4-5-10-7-6-9(2)11(12)8-10/h6-8,12H,3-5H2,1-2H3",C11H16O,,,,,,CUYLNCWYFSSEQG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.464,302-857-9,94134-87-9,"Sodium 1,4-bis(11-methyldodecyl) sulphonatosuccinate","sodium 1,4-bis[(11-methyldodecyl)oxy]-1,4-dioxobutane-2-sulfonate",[Na+].CC(C)CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCC(C)C)S(=O)(=O)[O-],[Na+].CC(C)CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCC(C)C)S(=O)(=O)[O-],"InChI=1/C30H58O7S.Na/c1-26(2)21-17-13-9-5-7-11-15-19-23-36-29(31)25-28(38(33,34)35)30(32)37-24-20-16-12-8-6-10-14-18-22-27(3)4;/h26-28H,5-25H2,1-4H3,(H,33,34,35);/q;+1/p-1",C30H58O7S.Na,,,,,,QJLUBHNDVAQAPK-UHFFFAOYSA-M,,,,,,,,,,,
100.093.468,302-862-6,94134-91-5,"N-(2,5-dichloropentyl)-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamide","N-(2,5-dichloropentyl)-7-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide",CNS(=O)(=O)c1cc2OCCOc2c(c1)C(=O)NCC(Cl)CCCCl,CNS(=O)(=O)c1cc2OCCOc2c(c1)C(=O)NCC(Cl)CCCCl,"InChI=1/C15H20Cl2N2O5S/c1-18-25(21,22)11-7-12(14-13(8-11)23-5-6-24-14)15(20)19-9-10(17)3-2-4-16/h7-8,10,18H,2-6,9H2,1H3,(H,19,20)",C15H20Cl2N2O5S,,,,,,BBCZXKQLUMQEFC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.477,302-872-0,94135-04-3,"Sodium 2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]butyrate","sodium 2-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)sulfanyl]phenyl}butanoate",[Na+].CCC(C(=O)[O-])c1ccc(SN2Cc3ccccc3C2=O)cc1,[Na+].CCC(C(=O)[O-])c1ccc(SN2Cc3ccccc3C2=O)cc1,"InChI=1/C18H17NO3S.Na/c1-2-15(18(21)22)12-7-9-14(10-8-12)23-19-11-13-5-3-4-6-16(13)17(19)20;/h3-10,15H,2,11H2,1H3,(H,21,22);/q;+1/p-1",C18H17NO3.Na,,,,,,BRYZHEJHXSOPQF-UHFFFAOYSA-M,,,,,,,,,,,
100.093.480,302-875-7,94135-07-6,4-methylpentyl 2-methylcrotonate,4-methylpentyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCCCC(C)C,C\C=C(/C)\C(=O)OCCCC(C)C,"InChI=1/C11H20O2/c1-5-10(4)11(12)13-8-6-7-9(2)3/h5,9H,6-8H2,1-4H3",C11H20O2,,,,,,IGQMPEJHZCJCHT-BJMVGYQFSA-N,,,,,,,,,,,
100.093.481,302-876-2,94135-08-7,4-(3-oxobutyl)phenyl benzoate,4-(3-oxobutyl)phenyl benzoate,CC(=O)CCc1ccc(OC(=O)c2ccccc2)cc1,CC(=O)CCc1ccc(OC(=O)c2ccccc2)cc1,"InChI=1/C17H16O3/c1-13(18)7-8-14-9-11-16(12-10-14)20-17(19)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3",C17H16O3,,,,,,SGCBNKSLSODZJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.482,302-877-8,94135-09-8,"3,3'-(3,7-dimethylocta-2,6-dienylidene)bis(1H-indole)","3,3'-(3,7-dimethylocta-2,6-diene-1,1-diyl)bis(1H-indole)",C/C(=C/C([H])(C1=CNC=2C=CC=CC1=2)C3=CNC=4C=CC=CC3=4)CC/C=C(/C)C,C/C(=C/C([H])(C1=CNC=2C=CC=CC1=2)C3=CNC=4C=CC=CC3=4)CC/C=C(/C)C,"InChI=1/C26H28N2/c1-18(2)9-8-10-19(3)15-22(23-16-27-25-13-6-4-11-20(23)25)24-17-28-26-14-7-5-12-21(24)26/h4-7,9,11-17,22,27-28H,8,10H2,1-3H3",C26H28N2,,,,,,PDIXICHEAZLDNO-CYVLTUHYSA-N,,,,,,,,,,,
100.093.485,302-880-4,94135-12-3,"Disodium 2,2'-[1,2-ethanediylbis(iminocarbonyl)]bisbenzoate","disodium 2,2'-(ethane-1,2-diyldicarbamoyl)dibenzoate",[Na+].[Na+].[O-]C(=O)c1ccccc1C(=O)NCCNC(=O)c2ccccc2C(=O)[O-],[Na+].[Na+].[O-]C(=O)c1ccccc1C(=O)NCCNC(=O)c2ccccc2C(=O)[O-],"InChI=1/C18H16N2O6.2Na/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26;;/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);;/q;2*+1/p-2",C18H16N2O6.2Na,,,,,,LMOODUDFLCSHDB-UHFFFAOYSA-L,,,,,,,,,,,
100.093.488,302-884-6,94135-15-6,"Calcium 2,4-dioxovalerate","calcium bis(2,4-dioxopentanoate)",[Ca+2].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-],[Ca+2].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-],"InChI=1/2C5H6O4.Ca/c2*1-3(6)2-4(7)5(8)9;/h2*2H2,1H3,(H,8,9);/q;;+2/p-2",C5H6O4.1/2Ca,,,,,,XWRRCGBIVVWVRX-UHFFFAOYSA-L,,,,,,,,,,,
100.093.491,302-887-2,94135-18-9,"L-aspartic acid, compound with (17R,21a)-ajmalan-17,21-diol (1:1)","L-aspartic acid - ajmalan-17,21-diol (1:1)",CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](O)C3[C@H]1C[C@H]2[C@@H]4N(C)c6ccccc56.N[C@@H](CC(=O)O)C(=O)O,CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](O)C3[C@H]1C[C@H]2[C@@H]4N(C)c6ccccc56.N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C20H26N2O2.C4H7NO4/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;5-2(4(8)9)1-3(6)7/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;2H,1,5H2,(H,6,7)(H,8,9)",C20H26N2O2.C4H7NO4,,,,,,VCWIFMKCDNQZDM-CYTFFRMQSA-N,,,,,,,,,,,
100.093.493,302-889-3,94135-20-3,"2,6-dimethylbenzene-1,3,5-triamine hydrochloride","2,4-dimethylbenzene-1,3,5-triamine hydrochloride",Cl.Cc1c(N)cc(N)c(C)c1N,Cl.Cc1c(N)cc(N)c(C)c1N,"InChI=1/C8H13N3.ClH/c1-4-6(9)3-7(10)5(2)8(4)11;/h3H,9-11H2,1-2H3;1H",C8H13N3.xClH,,,,,,HUPRNZLUDKGPHB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.494,302-890-9,94135-21-4,"2,6-dimethylbenzene-1,3,5-triamine sulphate","2,4-dimethylbenzene-1,3,5-triamine sulfate",Cc1c(N)cc(N)c(C)c1N.OS(=O)(=O)O,Cc1c(N)cc(N)c(C)c1N.OS(=O)(=O)O,"InChI=1/C8H13N3.H2O4S/c1-4-6(9)3-7(10)5(2)8(4)11;1-5(2,3)4/h3H,9-11H2,1-2H3;(H2,1,2,3,4)",C8H13N3.xH2O4S,,,,,,MOVJQGOQYSIWMW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.288,301-563-8,94022-65-8,"Ethyl 5-(1,1-dimethylethyl)-a-methyl-2-oxocyclohexaneacetate",ethyl 2-(5-tert-butyl-2-oxocyclohexyl)propanoate,CCOC(=O)C(C)C1CC(CCC1=O)C(C)(C)C,CCOC(=O)C(C)C1CC(CCC1=O)C(C)(C)C,"InChI=1/C15H26O3/c1-6-18-14(17)10(2)12-9-11(15(3,4)5)7-8-13(12)16/h10-12H,6-9H2,1-5H3",C15H26O3,,,,,,ZOZQCTPXDUIFGG-UHFFFAOYSA-N,,,,,,,,,,,
100.062.967,269-284-3,68214-04-0,"Hexasodium 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate]","hexasodium 4,4'-{1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis{5-hydroxy-6-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate}",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9ccccc9N=Nc1c(O)c8c(cc1S([O-])(=O)=O)cc(cc8Nc2nc(nc(Cl)n2)Nc3ccc(cc3)Nc7nc(Nc5cc(cc6cc(c(N=Nc4ccccc4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9ccccc9N=Nc1c(O)c8c(cc1S([O-])(=O)=O)cc(cc8Nc2nc(nc(Cl)n2)Nc3ccc(cc3)Nc7nc(Nc5cc(cc6cc(c(N=Nc4ccccc4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n7)S([O-])(=O)=O,"InChI=1/C44H30Cl2N14O20S6.6Na/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74;;;;;;/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;;;;;/q;6*+1/p-6",C44H30Cl2N14O20S6.6Na,,,,,,JCHWMQZZTLGTJZ-UHFFFAOYSA-H,,,,,,,,,,,
100.062.969,269-286-4,68214-07-3,Hexadecyltrimethylammonium hydrogen sulphate,"N,N,N-trimethylhexadecan-1-aminium hydrogen sulfate",CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-],CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-],"InChI=1/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C19H42N.HO4S,,,,,,UCRJJNVFJGKYQT-UHFFFAOYSA-L,,,,,,,,,,,
100.062.976,269-294-8,68214-48-2,N-[2-[(3-amino-3-oxopropyl)[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]stearamide monoacetate,N-{2-[(3-amino-3-oxopropyl){2-[bis(3-amino-3-oxopropyl)amino]ethyl}amino]ethyl}octadecanamide acetate (non-preferred name),CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(=O)N)CCC(=O)N)CCC(=O)N.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(=O)N)CCC(=O)N)CCC(=O)N.CC(=O)O,"InChI=1/C31H62N6O4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(41)35-21-25-37(24-20-30(34)40)27-26-36(22-18-28(32)38)23-19-29(33)39;1-2(3)4/h2-27H2,1H3,(H2,32,38)(H2,33,39)(H2,34,40)(H,35,41);1H3,(H,3,4)",C31H62N6O4.C2H4O2,,,,,,VFFMBHXEAASUMC-UHFFFAOYSA-N,,,,,,,,,,,
100.062.980,269-299-5,68214-55-1,Sodium 3-[[4-[(4-ethoxy-m-tolyl)azo]-1-naphthyl]azo]benzenesulphonate,sodium 3-({4-[(4-ethoxy-3-methylphenyl)diazenyl]-1-naphthyl}diazenyl)benzenesulfonate,[Na+].CCOc1ccc(cc1C)N=Nc4ccc(N=Nc2cccc(c2)S([O-])(=O)=O)c3ccccc34,[Na+].CCOc1ccc(cc1C)N=Nc4ccc(N=Nc2cccc(c2)S([O-])(=O)=O)c3ccccc34,"InChI=1/C25H22N4O4S.Na/c1-3-33-25-14-11-19(15-17(25)2)27-29-24-13-12-23(21-9-4-5-10-22(21)24)28-26-18-7-6-8-20(16-18)34(30,31)32;/h4-16H,3H2,1-2H3,(H,30,31,32);/q;+1/p-1",C25H22N4O4S.Na,,,,,,GMVKTLZQJXEXTO-UHFFFAOYSA-M,,,,,,,,,,,
100.062.991,269-311-9,68214-72-2,Ethyl (7-hydroxy-1-naphthyl)-carbamate,ethyl (7-hydroxy-1-naphthyl)carbamate,CCOC(=O)Nc1cccc2ccc(O)cc12,CCOC(=O)Nc1cccc2ccc(O)cc12,"InChI=1/C13H13NO3/c1-2-17-13(16)14-12-5-3-4-9-6-7-10(15)8-11(9)12/h3-8,15H,2H2,1H3,(H,14,16)",C13H13NO3,,,,,,KJADDPWIRVBKPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.993,269-314-5,68214-74-4,"2-bromo-3,5-diethyltoluene","2-bromo-1,5-diethyl-3-methylbenzene",CCc1cc(C)c(Br)c(CC)c1,CCc1cc(C)c(Br)c(CC)c1,"InChI=1/C11H15Br/c1-4-9-6-8(3)11(12)10(5-2)7-9/h6-7H,4-5H2,1-3H3",C11H15Br,,,,,,PCHKFCBEJVNWLB-UHFFFAOYSA-N,,,,,,,,,,,
100.066.461,273-129-5,68938-56-7,"1-(1,5,5-trimethyl-3-cyclohexen-1-yl)ethan-1-one","1-(1,5,5-trimethylcyclohex-3-en-1-yl)ethanone",CC(=O)C1(C)CC=CC(C)(C)C1,CC(=O)C1(C)CC=CC(C)(C)C1,"InChI=1/C11H18O/c1-9(12)11(4)7-5-6-10(2,3)8-11/h5-6H,7-8H2,1-4H3",C11H18O,,,,,,AVAQOIYNLURSRK-UHFFFAOYSA-N,,,,,,,,,,,
100.066.483,273-153-6,68938-96-5,Phenoxytetrapropylenebenzene,"1-(2,4-dimethyl-3-propylheptyl)-3-phenoxybenzene",CCCC(C)C(CCC)C(C)Cc1cccc(Oc2ccccc2)c1,CCCC(C)C(CCC)C(C)Cc1cccc(Oc2ccccc2)c1,"InChI=1/C24H34O/c1-5-11-19(3)24(12-6-2)20(4)17-21-13-10-16-23(18-21)25-22-14-8-7-9-15-22/h7-10,13-16,18-20,24H,5-6,11-12,17H2,1-4H3",C24H34O,,,,,,SJVPNPBPNHHOQS-UHFFFAOYSA-N,,,,,,,,,,,
100.066.485,273-155-7,68942-32-5,"3,8-diamino-5-[3-[[3-[[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]amino]propyl]amino]propyl]-6-phenylphenanthridinium chloride pentahydrochloride","3,8-diamino-5-(3-{[3-({3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl}amino)propyl]amino}propyl)-6-phenylphenanthridinium chloride pentahydrochloride",Cl.Cl.Cl.Cl.Cl.[Cl-].COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCNCCC[n+]4c(c5ccccc5)c6cc(N)ccc6c7ccc(N)cc47)c2c1,Cl.Cl.Cl.Cl.Cl.[Cl-].COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCNCCC[n+]4c(c5ccccc5)c6cc(N)ccc6c7ccc(N)cc47)c2c1,"InChI=1/C42H44ClN7O.6ClH/c1-51-32-13-17-38-37(27-32)41(35-14-10-29(43)24-39(35)49-38)48-22-6-20-46-18-5-19-47-21-7-23-50-40-26-31(45)12-16-34(40)33-15-11-30(44)25-36(33)42(50)28-8-3-2-4-9-28;;;;;;/h2-4,8-17,24-27,45-47H,5-7,18-23,44H2,1H3,(H,48,49);6*1H",C42H45ClN7O.5ClH.Cl,,,,,,ZRIMVGGATAJQIO-UHFFFAOYSA-N,,,,,,,,,,,
100.066.487,273-157-8,68951-39-3,"1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters",bis(2-methylbutyl) phthalate,CCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC,CCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC,"InChI=1/C18H26O4/c1-5-13(3)11-21-17(19)15-9-7-8-10-16(15)18(20)22-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3",-,,,,,,MZLKGKRQKLIVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.000,274-823-0,70729-59-8,"6,7-dichloro-1,4-bis[(4-methylphenyl)amino]anthraquinone","6,7-dichloro-1,4-bis[(4-methylphenyl)amino]-9,10-anthraquinone",Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c4C(=O)c5cc(Cl)c(Cl)cc5C(=O)c24)cc1,Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c4C(=O)c5cc(Cl)c(Cl)cc5C(=O)c24)cc1,"InChI=1/C28H20Cl2N2O2/c1-15-3-7-17(8-4-15)31-23-11-12-24(32-18-9-5-16(2)6-10-18)26-25(23)27(33)19-13-21(29)22(30)14-20(19)28(26)34/h3-14,31-32H,1-2H3",C28H20Cl2N2O2,,,,,,UHUSIGIXPSHDGG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.825,301-053-5,93980-73-5,N-[3-(octylamino)propyl]-D-gluconamide,"2,3,4,5,6-pentahydroxy-N-[3-(octylamino)propyl]hexanamide (non-preferred name)",CCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C17H36N2O6/c1-2-3-4-5-6-7-9-18-10-8-11-19-17(25)16(24)15(23)14(22)13(21)12-20/h13-16,18,20-24H,2-12H2,1H3,(H,19,25)",C17H36N2O6,,,,,,LOMLQPJYXUWYEH-LVQVYYBASA-N,,,,,,,,,,,
100.092.742,302-063-2,94088-62-7,"Disodium 3,3'-[carbonylbis[imino(5-ethoxy-2-methyl-4,1-phenylene)azo]]bis[6-chlorobenzenesulphonate]",disodium 2-chloro-5-({4-[({4-[(4-chloro-3-sulfonatophenyl)diazenyl]-2-ethoxy-5-methylphenyl}carbamoyl)amino]-5-ethoxy-2-methylphenyl}diazenyl)benzenesulfonate,[Na+].[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc4cc(OCC)c(NC(=O)Nc3cc(C)c(N=Nc2ccc(Cl)c(c2)S([O-])(=O)=O)cc3OCC)cc4C,[Na+].[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc4cc(OCC)c(NC(=O)Nc3cc(C)c(N=Nc2ccc(Cl)c(c2)S([O-])(=O)=O)cc3OCC)cc4C,"InChI=1/C31H30Cl2N6O9S2.2Na/c1-5-47-27-15-23(38-36-19-7-9-21(32)29(13-19)49(41,42)43)17(3)11-25(27)34-31(40)35-26-12-18(4)24(16-28(26)48-6-2)39-37-20-8-10-22(33)30(14-20)50(44,45)46;;/h7-16H,5-6H2,1-4H3,(H2,34,35,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C31H30Cl2N6O9S2.2Na,,,,,,SSKJAJFMJACGGY-UHFFFAOYSA-L,,,,,,,,,,,
100.089.500,298-496-9,93805-15-3,Methyl N-[3-(acetylamino)phenyl]-ß-alaninate,methyl N-(3-acetamidophenyl)-beta-alaninate,CC(=O)Nc1cc(NCCC(=O)OC)ccc1,CC(=O)Nc1cc(NCCC(=O)OC)ccc1,"InChI=1/C12H16N2O3/c1-9(15)14-11-5-3-4-10(8-11)13-7-6-12(16)17-2/h3-5,8,13H,6-7H2,1-2H3,(H,14,15)",C12H16N2O3,,,,,,FBZLVLHNZMZBDI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.504,298-501-4,93805-19-7,Methyl N-[5-(acetylamino)-2-methoxyphenyl]-N-ethyl-ß-alaninate,methyl N-(5-acetamido-2-methoxyphenyl)-N-ethyl-beta-alaninate,CCN(CCC(=O)OC)c1cc(NC(=O)C)ccc1OC,CCN(CCC(=O)OC)c1cc(NC(=O)C)ccc1OC,"InChI=1/C15H22N2O4/c1-5-17(9-8-15(19)21-4)13-10-12(16-11(2)18)6-7-14(13)20-3/h6-7,10H,5,8-9H2,1-4H3,(H,16,18)",C15H22N2O4,,,,,,KNYQDMRTXCOQPL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.507,298-505-6,93805-22-2,"3,7-dimethyl-6-octenyl phenoxyacetate","3,7-dimethyloct-6-en-1-yl phenoxyacetate",CC(CCOC(=O)COc1ccccc1)CCC=C(C)C,CC(CCOC(=O)COc1ccccc1)CCC=C(C)C,"InChI=1/C18H26O3/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-21-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3",C18H26O3,,,,,,OCXSQRQMLDBSSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.508,298-506-1,93805-23-3,2-methylbutyl myristate,2-methylbutyl myristate,CCCCCCCCCCCCCC(=O)OCC(C)CC,CCCCCCCCCCCCCC(=O)OCC(C)CC,"InChI=1/C19H38O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-19(20)21-17-18(3)5-2/h18H,4-17H2,1-3H3",C19H38O2,,,,,,FRHCPJSPAUFBEH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.509,298-507-7,93805-24-4,Bis(2-methylbutyl) sebacate,bis(2-methylbutyl) sebacate,CCC(C)COC(=O)CCCCCCCCC(=O)OCC(C)CC,CCC(C)COC(=O)CCCCCCCCC(=O)OCC(C)CC,"InChI=1/C20H38O4/c1-5-17(3)15-23-19(21)13-11-9-7-8-10-12-14-20(22)24-16-18(4)6-2/h17-18H,5-16H2,1-4H3",C20H38O4,,,,,,GFEOHRFVFWCUNN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.512,298-510-3,93805-27-7,Cobalt(2+) dihydrogen disulphite,cobalt(2+) dihydrogen disulfite,[Co+2].[O-]S(=O)[O-].[O-]S(=O)[O-],[Co+2].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/Co.2H2O3S/c;2*1-4(2)3/h;2*(H2,1,2,3)/q+2;;/p-4",Co.2H2O3S,,,,,,JRHVRRMEWXWDSQ-UHFFFAOYSA-J,,,,,,,,,,,
100.089.519,298-518-7,93805-35-7,Cyclohexyl myristate,cyclohexyl myristate,CCCCCCCCCCCCCC(=O)OC1CCCCC1,CCCCCCCCCCCCCC(=O)OC1CCCCC1,"InChI=1/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21)22-19-16-13-12-14-17-19/h19H,2-18H2,1H3",C20H38O2,,,,,,CVKSQUBKUSUUSC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.520,298-519-2,93805-36-8,Cyclohexyl docosanoate,cyclohexyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCCCC1,CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCCCC1,"InChI=1/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(29)30-27-24-21-20-22-25-27/h27H,2-26H2,1H3",C28H54O2,,,,,,OZWZNKGRBDNXNC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.978,300-122-7,93920-36-6,"Naphthalene-2,7-disulphonic acid, calcium sodium salt",-,[Na+].[Ca+2].[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-],[Na+].[Ca+2].[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.Ca.Na/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;+2;+1/p-2",C10H8O6S2.xCa.xNa,,,,,,IZNJFQKZKIBBJR-UHFFFAOYSA-L,,,,,,,,,,,
100.092.129,301-388-7,94020-93-6,"(1a,2ß,5a)-5-methyl-2-(1-methylethyl)cyclohexyl decanoate",2-isopropyl-5-methylcyclohexyl decanoate,CCCCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,CCCCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,"InChI=1/C20H38O2/c1-5-6-7-8-9-10-11-12-20(21)22-19-15-17(4)13-14-18(19)16(2)3/h16-19H,5-15H2,1-4H3",C20H38O2,,,,,,OLKHPKJDRMQATD-OTWHNJEPSA-N,,,,,,,,,,,
100.091.401,300-587-6,93942-35-9,5-hydroxypentyl 3-bromopropionate,5-hydroxypentyl 3-bromopropanoate,OCCCCCOC(=O)CCBr,OCCCCCOC(=O)CCBr,"InChI=1/C8H15BrO3/c9-5-4-8(11)12-7-3-1-2-6-10/h10H,1-7H2",C8H15BrO3,,,,,,MLCADUOZDASYJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.405,300-591-8,93942-39-3,"Ethyl a-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate","ethyl 3-{4-[bis(2-chloroethyl)amino]phenyl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate",CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)N2C(=O)c3ccccc3C2=O,CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)N2C(=O)c3ccccc3C2=O,"InChI=1/C23H24Cl2N2O4/c1-2-31-23(30)20(27-21(28)18-5-3-4-6-19(18)22(27)29)15-16-7-9-17(10-8-16)26(13-11-24)14-12-25/h3-10,20H,2,11-15H2,1H3",C23H24Cl2N2O4,,,,,,VRICXOXBGFEEOE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.407,300-593-9,93942-41-7,Benzyl fluoroformate,benzyl fluorocarbonate,FC(=O)OCc1ccccc1,FC(=O)OCc1ccccc1,"InChI=1/C8H7FO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2",C8H7FO2,,,,,,ZDRODIGYILKBLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.410,300-597-0,93942-44-0,"Bis(tert-butyl) 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","di-tert-butyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C,CCCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C,"InChI=1/C21H35NO4/c1-10-11-12-15-16(18(23)25-20(4,5)6)13(2)22-14(3)17(15)19(24)26-21(7,8)9/h15,22H,10-12H2,1-9H3",C21H35NO4,,,,,,GFCVFEWESRMWMF-UHFFFAOYSA-N,,,,,,,,,,,
100.085.278,293-842-5,91574-89-9,"6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-6-phenethyl-5H-dibenz[d,f]azonin-1-ol hydrochloride","2,12-dimethoxy-7-methyl-6-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-dibenzo[d,f]azonin-1-ol hydrochloride",Cl.COc1ccc2CCN(C)C(CCc3ccccc3)Cc4ccc(OC)c(O)c4c2c1,Cl.COc1ccc2CCN(C)C(CCc3ccccc3)Cc4ccc(OC)c(O)c4c2c1,"InChI=1/C27H31NO3.ClH/c1-28-16-15-20-10-13-23(30-2)18-24(20)26-21(11-14-25(31-3)27(26)29)17-22(28)12-9-19-7-5-4-6-8-19;/h4-8,10-11,13-14,18,22,29H,9,12,15-17H2,1-3H3;1H",C27H31NO3.ClH,,,,,,JTGDTQLVMHZOHX-UHFFFAOYSA-N,,,,,,,,,,,
100.085.280,293-844-6,91621-32-8,2-[[2-[(2-furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-4-one dihydrochloride,2-({2-[(2-furylmethyl)sulfanyl]ethyl}amino)-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-4(1H)-one dihydrochloride,Cl.Cl.Cc1ccc(CC2=CNC(=NC2=O)NCCSCc3occc3)cn1,Cl.Cl.Cc1ccc(CC2=CNC(=NC2=O)NCCSCc3occc3)cn1,"InChI=1/C18H20N4O2S.2ClH/c1-13-4-5-14(10-20-13)9-15-11-21-18(22-17(15)23)19-6-8-25-12-16-3-2-7-24-16;;/h2-5,7,10-11H,6,8-9,12H2,1H3,(H2,19,21,22,23);2*1H",C18H20N4O2S.2ClH,,,,,,YMRVRQCKTSRFEW-UHFFFAOYSA-N,,,,,,,,,,,
100.080.460,288-537-9,85750-12-5,"2,4-dihydro-2-[2-methoxy-5-[[2-(propionyloxy)ethyl]sulphonyl]phenyl]-5-methyl-4-[(2-nitrophenyl)azo]-3H-pyrazol-3-one","2-[(4-methoxy-3-{3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl propionate",CCC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccccc2[N+]([O-])=O)C3=O,CCC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccccc2[N+]([O-])=O)C3=O,"InChI=1/C22H23N5O8S/c1-4-20(28)35-11-12-36(32,33)15-9-10-19(34-3)18(13-15)26-22(29)21(14(2)25-26)24-23-16-7-5-6-8-17(16)27(30)31/h5-10,13,21H,4,11-12H2,1-3H3",C22H23N5O8S,,,,,,LJMNBFUCKAXZMW-UHFFFAOYSA-N,,,,,,,,,,,
100.080.471,288-549-4,85750-23-8,2-[[7-[(3-aminobenzoyl)amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]-5-(phenylazo)benzoic acid,2-({7-[(3-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)-5-(phenyldiazenyl)benzoic acid,Nc1cccc(c1)C(=O)Nc2cc5c(cc2)cc(c(N=Nc4ccc(N=Nc3ccccc3)cc4C(O)=O)c5O)S(O)(=O)=O,Nc1cccc(c1)C(=O)Nc2cc5c(cc2)cc(c(N=Nc4ccc(N=Nc3ccccc3)cc4C(O)=O)c5O)S(O)(=O)=O,"InChI=1/C30H22N6O7S/c31-19-6-4-5-18(13-19)29(38)32-21-10-9-17-14-26(44(41,42)43)27(28(37)23(17)15-21)36-35-25-12-11-22(16-24(25)30(39)40)34-33-20-7-2-1-3-8-20/h1-16,37H,31H2,(H,32,38)(H,39,40)(H,41,42,43)",C30H22N6O7S,,,,,,PBUPPRUGCLQPAR-UHFFFAOYSA-N,,,,,,,,,,,
100.080.479,288-558-3,85750-31-8,3-methoxy-4-(pyrrolidin-1-yl)benzenediazonium hexafluorophosphate,3-methoxy-4-pyrrolidin-1-ylbenzenediazonium hexafluorophosphate,COc1cc(ccc1N2CCCC2)[N+]#N.F[P-](F)(F)(F)(F)F,COc1cc(ccc1N2CCCC2)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C11H14N3O.F6P/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;1-7(2,3,4,5)6/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1",C11H14N3O.F6P,,,,,,IXWHDLSQLLUNIW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.992,288-021-3,85631-73-8,"5-nonyl-1H-1,2,4-triazol-3-amine monohydrochloride","5-nonyl-4H-1,2,4-triazol-3-amine hydrochloride",Cl.CCCCCCCCCc1nnc(N)[nH]1,Cl.CCCCCCCCCc1nnc(N)[nH]1,"InChI=1/C11H22N4.ClH/c1-2-3-4-5-6-7-8-9-10-13-11(12)15-14-10;/h2-9H2,1H3,(H3,12,13,14,15);1H",C11H22N4.ClH,,,,,,NMJBSPACYAOHCC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.994,288-023-4,85631-75-0,"Trisodium 2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate","trisodium 2-{[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c4cc(ccc34)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c4cc(ccc34)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C27H20Cl2N8O9S3.3Na/c1-13-10-22(36-37-23-12-16(48(41,42)43)4-8-24(23)49(44,45)46)14(2)9-21(13)35-34-20-7-6-19(30-27-32-25(28)31-26(29)33-27)17-5-3-15(11-18(17)20)47(38,39)40;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3",C27H20Cl2N8O9S3.3Na,,,,,,FUGDXAAYCZQYSW-UHFFFAOYSA-K,,,,,,,,,,,
100.079.999,288-029-7,85631-80-7,"Trisodium 7-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-methoxy-2-methylphenyl]azo]naphthalene-1,3,5-trisulphonate","trisodium 7-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)nc(Cl)n4,[Na+].[Na+].[Na+].Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)nc(Cl)n4,"InChI=1/C21H16Cl2N6O10S3.3Na/c1-9-3-15(24-21-26-19(22)25-20(23)27-21)16(39-2)8-14(9)29-28-10-4-12-13(17(5-10)41(33,34)35)6-11(40(30,31)32)7-18(12)42(36,37)38;;;/h3-8H,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,24,25,26,27);;;/q;3*+1/p-3",C21H16Cl2N6O10S3.3Na,,,,,,BDTKYWIRNJPSPQ-UHFFFAOYSA-K,,,,,,,,,,,
100.080.485,288-565-1,85760-87-8,"(S)-1-(4-chlorobenzoyl)-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide","1-(4-chlorobenzoyl)-5-oxo-N,N-dipropyl-L-prolinamide",CCCN(CCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccc(Cl)cc2,CCCN(CCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccc(Cl)cc2,"InChI=1/C18H23ClN2O3/c1-3-11-20(12-4-2)18(24)15-9-10-16(22)21(15)17(23)13-5-7-14(19)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3",C18H23ClN2O3,,,,,,BSYCXIOQCHQTSA-HNNXBMFYSA-N,,,,,,,,,,,
100.080.486,288-566-7,85760-88-9,"(S)-N,N-diethyl-5-oxopyrrolidine-2-carboxamide","N,N-diethyl-5-oxo-L-prolinamide",CCN(CC)C(=O)[C@@H]1CCC(=O)N1,CCN(CC)C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C9H16N2O2/c1-3-11(4-2)9(13)7-5-6-8(12)10-7/h7H,3-6H2,1-2H3,(H,10,12)",C9H16N2O2,,,,,,IZCZSKAHNSOBSI-ZETCQYMHSA-N,,,,,,,,,,,
100.092.290,301-565-9,94022-67-0,"Ethyl 2-[4-(1,1-dimethylethyl)phenoxy]propionate",ethyl 2-(4-tert-butylphenoxy)propanoate,CCOC(=O)C(C)Oc1ccc(cc1)C(C)(C)C,CCOC(=O)C(C)Oc1ccc(cc1)C(C)(C)C,"InChI=1/C15H22O3/c1-6-17-14(16)11(2)18-13-9-7-12(8-10-13)15(3,4)5/h7-11H,6H2,1-5H3",C15H22O3,,,,,,VGBZYLBDLXGDJR-UHFFFAOYSA-N,,,,,,,,,,,
100.092.301,301-577-4,94022-82-9,2-methylbutyl palmitate,2-methylbutyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(C)CC,CCCCCCCCCCCCCCCC(=O)OCC(C)CC,"InChI=1/C21H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)23-19-20(3)5-2/h20H,4-19H2,1-3H3",C21H42O2,,,,,,JMWUDENRAYGYDI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.306,301-583-7,94022-87-4,"4-amino-3-[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","4-amino-3-({4-[(2,4-diaminophenyl)diazenyl]phenyl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Nc5ccc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(cc3)S(O)(=O)=O)c4O)S(O)(=O)=O)c(N)c5,Nc5ccc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(cc3)S(O)(=O)=O)c4O)S(O)(=O)=O)c(N)c5,"InChI=1/C28H23N9O10S3/c29-15-1-10-21(20(30)13-15)35-32-16-2-4-17(5-3-16)33-36-26-22(49(42,43)44)11-14-12-23(50(45,46)47)27(28(38)24(14)25(26)31)37-34-18-6-8-19(9-7-18)48(39,40)41/h1-13,38H,29-31H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)",C28H23N9O10S3,,,,,,GAEMZGRKJDSHKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.312,301-590-5,94022-95-4,1-(2-bromoethyl)-2-(trifluoromethyl)benzene,1-(2-bromoethyl)-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1CCBr,FC(F)(F)c1ccccc1CCBr,"InChI=1/C9H8BrF3/c10-6-5-7-3-1-2-4-8(7)9(11,12)13/h1-4H,5-6H2",C9H8BrF3,,,,,,QECZMYGJNDGESU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.313,301-591-0,94022-96-5,o-(trifluoromethyl)phenethyl alcohol,2-[2-(trifluoromethyl)phenyl]ethanol,OCCc1ccccc1C(F)(F)F,OCCc1ccccc1C(F)(F)F,"InChI=1/C9H9F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4,13H,5-6H2",C9H9F3O,,,,,,DBKIEXOOUXQPGC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.257,298-230-1,93783-25-6,"1-(2-aminoethyl)-2-heptadecyl-4,5-dihydro-3-methyl-1H-imidazolium methyl sulphate",1-(2-aminoethyl)-2-heptadecyl-3-methylimidazolidin-1-ium methyl sulfate,CCCCCCCCCCCCCCCCCC1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],"InChI=1/C23H49N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25(2)21-22-26(23)20-19-24;1-5-6(2,3)4/h23H,3-22,24H2,1-2H3;1H3,(H,2,3,4)",C23H48N3.CH3O4S,,,,,,IZVBWEGNOAOBMC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.259,298-232-2,93783-29-0,"1-(2-aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate",1-(2-aminoethyl)-3-methyl-2-pentadecylimidazolidin-1-ium methyl sulfate,CCCCCCCCCCCCCCCC1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCC1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],"InChI=1/C21H45N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-23(2)19-20-24(21)18-17-22;1-5-6(2,3)4/h21H,3-20,22H2,1-2H3;1H3,(H,2,3,4)",C21H44N3.CH3O4S,,,,,,UPAMTTLKRSAJOD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.191,300-357-5,93939-68-5,1-amino-1-deoxymannitol,1-amino-1-deoxy-D-mannitol,NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2",C6H15NO5,,,,,,SDOFMBGMRVAJNF-KVTDHHQDSA-N,,,,,,,,,,,
100.091.198,300-364-3,93939-75-4,Dipotassium methylenebisnaphthalenesulphonate,"dipotassium 2,2'-methylenedinaphthalene-1-sulfonate",[K+].[K+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14,[K+].[K+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14,"InChI=1/C21H16O6S2.2K/c22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27;;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C21H16O6S2.2K,,,,,,MEYAFYMMIMMZNF-UHFFFAOYSA-L,,,,,,,,,,,
100.093.496,302-893-5,94135-23-6,"Malic acid, compound with (E)-3-[2-(1,4,5,6-tetrahydro-1-methylpyrimidin-2-yl)vinyl]phenol (1:1)","2-hydroxysuccinic acid - 3-[2-(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)vinyl]phenol (1:1)",CN1CCCN=C1\\C=C\\c2cccc(O)c2.OC(CC(=O)O)C(=O)O,CN1CCCN=C1\C=C\c2cccc(O)c2.OC(CC(=O)O)C(=O)O,"InChI=1/C13H16N2O.C4H6O5/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11;5-2(4(8)9)1-3(6)7/h2,4-7,10,16H,3,8-9H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)",C13H16N2O.C4H6O5,,,,,,STWDAACNOHENPP-UHDJGPCESA-N,,,,,,,,,,,
100.093.498,302-895-6,94135-26-9,3-[2-[2-(p-chlorophenoxy)-2-methylpropionyloxy]ethoxycarbonyl]pyridinium hydrogen sulphate,3-[(2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}ethoxy)carbonyl]pyridinium hydrogen sulfate,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2ccc[nH+]c2.[O-]S(=O)(=O)[O-],CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2ccc[nH+]c2.[O-]S(=O)(=O)[O-],"InChI=1/C18H18ClNO5.H2O4S/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;1-5(2,3)4/h3-9,12H,10-11H2,1-2H3;(H2,1,2,3,4)/p-1",C18H18ClNO5.H2O4S,,,,,,IOOLKHGOVZRWRU-UHFFFAOYSA-M,,,,,,,,,,,
100.091.831,301-059-8,93980-79-1,(4-methoxyphenyl)methyl laurate,4-methoxybenzyl laurate,CCCCCCCCCCCC(=O)OCc1ccc(OC)cc1,CCCCCCCCCCCC(=O)OCc1ccc(OC)cc1,"InChI=1/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-20(21)23-17-18-13-15-19(22-2)16-14-18/h13-16H,3-12,17H2,1-2H3",C20H32O3,,,,,,DRMAPFJISUWUEF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.845,301-075-5,93980-94-0,"2,4-bis(2-methylphenoxy)-1-nitrobenzene","2,4-bis(2-methylphenoxy)-1-nitrobenzene",Cc1ccccc1Oc2ccc(c(Oc3ccccc3C)c2)[N+](=O)[O-],Cc1ccccc1Oc2ccc(c(Oc3ccccc3C)c2)[N+](=O)[O-],"InChI=1/C20H17NO4/c1-14-7-3-5-9-18(14)24-16-11-12-17(21(22)23)20(13-16)25-19-10-6-4-8-15(19)2/h3-13H,1-2H3",C20H17NO4,,,,,,AGUUXLHIEOFRGU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.854,301-084-4,93981-03-4,6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate,6-chloro-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-methylbenzo[cd]indolium 2-hydroxypropanoate,CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34.CC(O)C(=O)[O-],CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34.CC(O)C(=O)[O-],"InChI=1/C22H22ClN2O.C3H6O3/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(4)3(5)6/h4-12,26H,3,13-14H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;/p-1",C22H22ClN2O.C3H5O3,,,,,,JJMPGOGDFFODPP-UHFFFAOYSA-M,,,,,,,,,,,
100.068.205,275-049-6,70942-45-9,Tetradecyl 3-mercaptopropionate,tetradecyl 3-sulfanylpropanoate,CCCCCCCCCCCCCCOC(=O)CCS,CCCCCCCCCCCCCCOC(=O)CCS,"InChI=1/C17H34O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20/h20H,2-16H2,1H3",C17H34O2S,,,,,,ZFPOOXOHYITZFO-UHFFFAOYSA-N,,,,,,,,,,,
100.068.234,275-081-0,70979-67-8,"2-bromo-3-[(2-hydroxyethyl)amino]-1,4-naphthoquinone","2-bromo-3-[(2-hydroxyethyl)amino]-1,4-naphthoquinone",OCCNC1=C(Br)C(=O)c2ccccc2C1=O,OCCNC1=C(Br)C(=O)c2ccccc2C1=O,"InChI=1/C12H10BrNO3/c13-9-10(14-5-6-15)12(17)8-4-2-1-3-7(8)11(9)16/h1-4,14-15H,5-6H2",C12H10BrNO3,,,,,,HDSDCAIGBJRBMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.240,275-087-3,70983-45-8,"Benzoic acid, 2-hydroxy-, copper salt, basic",copper(2+) bis(2-hydroxybenzoate),[Cu+2].O=C([O-])C=1/C=C\\C=C/C=1O.[O-]C(=O)c1ccccc1O,[Cu+2].O=C([O-])C=1/C=C\C=C/C=1O.[O-]C(=O)c1ccccc1O,"InChI=1/2C7H6O3.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",-,,,,,,CMRVDFLZXRTMTH-UHFFFAOYSA-L,,,,,,,,,,,
100.068.009,274-833-5,70729-71-4,"2,2',2''-[(butylstannylidyne)tris(thio)]triethanol","2,2',2''-[(butylstannanetriyl)trisulfanediyl]triethanol",CCCC[Sn](SCCO)(SCCO)SCCO,CCCC[Sn](SCCO)(SCCO)SCCO,"InChI=1/C4H9.3C2H6OS.Sn/c1-3-4-2;3*3-1-2-4;/h1,3-4H2,2H3;3*3-4H,1-2H2;/q;;;;+3/p-3/rC10H24O3S3Sn/c1-2-3-10-17(14-7-4-11,15-8-5-12)16-9-6-13/h11-13H,2-10H2,1H3",C10H24O3S3Sn,,,,,,UZMMIZJMWXQBIK-UHFFFAOYSA-K,,,,,,,,,,,
100.068.025,274-850-8,70760-07-5,3-ethyl-2-methylpent-4-en-2-ol,3-ethyl-2-methylpent-4-en-2-ol,CCC(C=C)C(C)(C)O,CCC(C=C)C(C)(C)O,"InChI=1/C8H16O/c1-5-7(6-2)8(3,4)9/h5,7,9H,1,6H2,2-4H3",C8H16O,,,,,,QLZRBRNPJYJRDB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.026,274-851-3,70766-47-1,Bicyclo[2.2.1]hept-5-en-2-ylmethyl dimethyl phosphite,bicyclo[2.2.1]hept-5-en-2-ylmethyl dimethyl phosphite,COP(OC)OCC1CC2CC1C=C2,COP(OC)OCC1CC2CC1C=C2,"InChI=1/C10H17O3P/c1-11-14(12-2)13-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-7H2,1-2H3",C10H17O3P,,,,,,JLXZKMOMWUDKLK-UHFFFAOYSA-N,,,,,,,,,,,
100.068.027,274-852-9,70766-48-2,Bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) methyl phosphite,bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) methyl phosphite,COP(OCC1CC2CC1C=C2)OCC3CC4CC3C=C4,COP(OCC1CC2CC1C=C2)OCC3CC4CC3C=C4,"InChI=1/C17H25O3P/c1-18-21(19-10-16-8-12-2-4-14(16)6-12)20-11-17-9-13-3-5-15(17)7-13/h2-5,12-17H,6-11H2,1H3",C17H25O3P,,,,,,GRHMZHVDKFWUNS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.030,274-856-0,70766-51-7,"[bicyclo[2.2.1]hept-5-en-2-ylmethyl](methyl)[(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl]phosphine","(bicyclo[2.2.1]hept-5-en-2-ylmethyl)(methyl)(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-ylmethyl)phosphine",CP(CC1CC2CC1C=C2)CC3CC4CC3C5C6CC(C=C6)C45,CP(CC1CC2CC1C=C2)CC3CC4CC3C5C6CC(C=C6)C45,"InChI=1/C22H31P/c1-23(11-18-7-13-2-3-14(18)6-13)12-19-9-17-10-20(19)22-16-5-4-15(8-16)21(17)22/h2-5,13-22H,6-12H2,1H3",C22H31O3P,,,,,,SGWVAMSJVBTVOB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.874,301-107-8,93981-24-9,"N,N'-[1-carbamoylpentane-1,5-diyl]bis(octanamide)",N-[6-amino-5-(octanoylamino)-6-oxohexyl]octanamide,CCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC)C(=O)N,CCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC)C(=O)N,"InChI=1/C22H43N3O3/c1-3-5-7-9-11-16-20(26)24-18-14-13-15-19(22(23)28)25-21(27)17-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,23,28)(H,24,26)(H,25,27)",C22H43N3O3,,,,,,OLUQGPLKKJRACF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.875,275-786-3,71662-21-0,"1,1-bis(allyloxy)decane","1,1-bis(allyloxy)decane",CCCCCCCCCC(OCC=C)OCC=C,CCCCCCCCCC(OCC=C)OCC=C,"InChI=1/C16H30O2/c1-4-7-8-9-10-11-12-13-16(17-14-5-2)18-15-6-3/h5-6,16H,2-4,7-15H2,1H3",C16H30O2,,,,,,RUNIPIBIABFCQC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.876,275-787-9,71662-22-1,"(1a,2ß,5a)-2-methyl-5-(1-methylvinyl)cyclohexyl propionate",5-isopropenyl-2-methylcyclohexyl propionate,CCC(=O)O[C@H]1C[C@H](CC[C@@H]1C)C(=C)C,CCC(=O)O[C@H]1C[C@H](CC[C@@H]1C)C(=C)C,"InChI=1/C13H22O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h10-12H,2,5-8H2,1,3-4H3",C13H22O2,,,,,,HWOVQMSYUZIVEB-SRVKXCTJSA-N,,,,,,,,,,,
100.091.415,300-602-6,93942-49-5,"3,5,6,7,8,8a-hexahydro-4,7-dimethyl-2H-1-benzopyran","4,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-chromene",CC1CCC2=C(C)CCOC2C1,CC1CCC2=C(C)CCOC2C1,"InChI=1/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h8,11H,3-7H2,1-2H3",C11H18O,,,,,,GXAYAOBBVDEENR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.418,300-605-2,93942-52-0,"[2-(2,5-dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride","1-(2,5-dimethoxyphenyl)-N-hydroxy-1-oxopropan-2-iminium chloride",[Cl-].COc1ccc(cc1C(=O)C(C)=[NH+]O)OC,[Cl-].COc1ccc(cc1C(=O)C(C)=[NH+]O)OC,"InChI=1/C11H13NO4.ClH/c1-7(12-14)11(13)9-6-8(15-2)4-5-10(9)16-3;/h4-6,14H,1-3H3;1H",C11H13NO4.ClH,,,,,,GUYVLRJKTCFDTL-UHFFFAOYSA-N,,,,,,,,,,,
100.091.421,300-608-9,93942-55-3,"<U+03B3>-methyl-a,a-diphenylpiperidine-1-butyronitrile monohydrochloride","2,2-diphenyl-4-piperidin-1-ylpentanenitrile hydrochloride",Cl.CC(CC(C#N)(c1ccccc1)c2ccccc2)N3CCCCC3,Cl.CC(CC(C#N)(c1ccccc1)c2ccccc2)N3CCCCC3,"InChI=1/C22H26N2.ClH/c1-19(24-15-9-4-10-16-24)17-22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21;/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3;1H",C22H26N2.ClH,,,,,,LWRAGUAXVRBIRB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.437,300-626-7,93942-71-3,N-[[2-(2-oxoimidazolidin-1-yl)ethoxy]methyl]acrylamide,N-{[2-(2-oxoimidazolidin-1-yl)ethoxy]methyl}acrylamide,C=CC(=O)NCOCCN1CCNC1=O,C=CC(=O)NCOCCN1CCNC1=O,"InChI=1/C9H15N3O3/c1-2-8(13)11-7-15-6-5-12-4-3-10-9(12)14/h2H,1,3-7H2,(H,10,14)(H,11,13)",C9H15N3O3,,,,,,XQRRIDDPQBRVFF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.743,302-064-8,94088-63-8,"2'-(dibenzylamino)-6'-(dibutylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-(dibenzylamino)-6'-(dibutylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCN(CCCC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(Cc6ccccc6)Cc7ccccc7)c1,CCCCN(CCCC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(Cc6ccccc6)Cc7ccccc7)c1,"InChI=1/C42H42N2O3/c1-3-5-25-43(26-6-4-2)34-21-23-37-40(28-34)46-39-24-22-33(27-38(39)42(37)36-20-14-13-19-35(36)41(45)47-42)44(29-31-15-9-7-10-16-31)30-32-17-11-8-12-18-32/h7-24,27-28H,3-6,25-26,29-30H2,1-2H3",C42H42N2O3,,,,,,NKALOPUGCTYSOE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.522,298-521-3,93805-38-0,"3-[[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl](3-phenylpropyl)amino]propiononitrile","3-[{4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}(3-phenylpropyl)amino]propanenitrile",N#CCCN(CCCc1ccccc1)c2ccc(cc2)N=Nc3nc4cc(Cl)c(Cl)cc4s3,N#CCCN(CCCc1ccccc1)c2ccc(cc2)N=Nc3nc4cc(Cl)c(Cl)cc4s3,"InChI=1/C25H21Cl2N5S/c26-21-16-23-24(17-22(21)27)33-25(29-23)31-30-19-9-11-20(12-10-19)32(15-5-13-28)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,16-17H,4-5,8,14-15H2",C25H21Cl2N5S,,,,,,SNEPMTPGGMIAJU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.526,298-526-0,93805-42-6,"p-[(4-amino-o-tolyl)azo]-N,N-dimethylbenzenesulphonamide","4-[(4-amino-2-methylphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1C)cc2,CN(C)S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1C)cc2,"InChI=1/C15H18N4O2S/c1-11-10-12(16)4-9-15(11)18-17-13-5-7-14(8-6-13)22(20,21)19(2)3/h4-10H,16H2,1-3H3",C15H18N4O2S,,,,,,SMSKXAUMUGPIAO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.527,298-527-6,93805-43-7,"Disodium 3-[[4-[(4-amino-1-naphthyl)azo]-2,5-dimethylphenyl]azo]naphthalene-1,5-disulphonate","disodium 3-({4-[(4-amino-1-naphthyl)diazenyl]-2,5-dimethylphenyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c5cccc4c5cc(N=Nc1cc(C)c(cc1C)N=Nc3ccc(N)c2ccccc23)cc4S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c5cccc4c5cc(N=Nc1cc(C)c(cc1C)N=Nc3ccc(N)c2ccccc23)cc4S([O-])(=O)=O,"InChI=1/C28H23N5O6S2.2Na/c1-16-13-26(33-31-24-11-10-23(29)19-6-3-4-7-20(19)24)17(2)12-25(16)32-30-18-14-22-21(28(15-18)41(37,38)39)8-5-9-27(22)40(34,35)36;;/h3-15H,29H2,1-2H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C28H23N5O6S2.2Na,,,,,,ZMDYHEYGYVBFAD-UHFFFAOYSA-L,,,,,,,,,,,
100.089.528,298-528-1,93805-44-8,Disodium 7-amino-4-hydroxy-3-[(2-hydroxy-5-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 7-amino-4-hydroxy-3-[(2-hydroxy-5-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].Oc3ccc(cc3N=Nc2c(cc1cc(N)ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc3ccc(cc3N=Nc2c(cc1cc(N)ccc1c2O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H13N3O8S2.2Na/c17-9-1-3-11-8(5-9)6-14(29(25,26)27)15(16(11)21)19-18-12-7-10(28(22,23)24)2-4-13(12)20;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C16H13N3O8S2.2Na,,,,,,WYSVXQWKMJTQHW-UHFFFAOYSA-L,,,,,,,,,,,
100.089.532,298-532-3,93805-49-3,"Carbonic acid, compound with 2-methylcyclohexane-1,3-diamine (1:1)","carbonic acid - 2-methylcyclohexane-1,3-diamine (1:1)",CC1C(N)CCCC1N.OC(=O)O,CC1C(N)CCCC1N.OC(=O)O,"InChI=1/C7H16N2.CH2O3/c1-5-6(8)3-2-4-7(5)9;2-1(3)4/h5-7H,2-4,8-9H2,1H3;(H2,2,3,4)",C7H16N2.CH2O3,,,,,,IOXIQYZWPMZTIE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.537,298-538-6,93805-54-0,"5,5,9,9-tetrabutyl-7-oxo-6,8-dioxa-7-sila-5,9-distannatridecane","5,5,9,9-tetrabutyl-7-oxo-6,8-dioxa-7-sila-5,9-distannatridecane",CCCC[Sn](CCCC)(CCCC)O[Si](=O)O[Sn](CCCC)(CCCC)CCCC,CCCC[Sn](CCCC)(CCCC)O[Si](=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/6C4H9.O3Si.2Sn/c6*1-3-4-2;1-4(2)3;;/h6*1,3-4H2,2H3;;;/q;;;;;;-2;2*+1/rC24H54O3SiSn2/c1-7-13-19-29(20-14-8-2,21-15-9-3)26-28(25)27-30(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3",C24H54O3SiSn2,,,,,,CTTXCFXWBKAHLS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.488,288-568-8,85760-90-3,"(S)-1-benzoyl-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide","1-benzoyl-5-oxo-N,N-dipropyl-L-prolinamide",CCCN(CCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,CCCN(CCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C18H24N2O3/c1-3-12-19(13-4-2)18(23)15-10-11-16(21)20(15)17(22)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3",C18H24N2O3,,,,,,VLJYURHJBDTROS-HNNXBMFYSA-N,,,,,,,,,,,
100.080.489,288-569-3,85760-91-4,"(S)-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide","5-oxo-N,N-dipropyl-L-prolinamide",CCCN(CCC)C(=O)[C@@H]1CCC(=O)N1,CCCN(CCC)C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C11H20N2O2/c1-3-7-13(8-4-2)11(15)9-5-6-10(14)12-9/h9H,3-8H2,1-2H3,(H,12,14)",C11H20N2O2,,,,,,ODKKEMNVADJPKL-VIFPVBQESA-N,,,,,,,,,,,
100.081.579,289-770-9,90009-35-1,Disodium methylenebis(salicylate),"disodium 2,2'-[methylenebis(oxy)]dibenzoate",[Na+].[Na+].[O-]C(=O)c2ccccc2OCOc1ccccc1C([O-])=O,[Na+].[Na+].[O-]C(=O)c2ccccc2OCOc1ccccc1C([O-])=O,"InChI=1/C15H12O6.2Na/c16-14(17)10-5-1-3-7-12(10)20-9-21-13-8-4-2-6-11(13)15(18)19;;/h1-8H,9H2,(H,16,17)(H,18,19);;/q;2*+1/p-2",C15H12O6.2Na,,,,,,IGHFVKIBHWMEFC-UHFFFAOYSA-L,,,,,,,,,,,
100.080.289,288-348-1,85711-88-2,Chloro[(dichlorophenyl)methyl]methylbenzene,"1,2-dichloro-3-(2-chloro-2-phenylethyl)benzene",ClC(Cc1cccc(Cl)c1Cl)c2ccccc2,ClC(Cc1cccc(Cl)c1Cl)c2ccccc2,"InChI=1/C14H11Cl3/c15-12-8-4-7-11(14(12)17)9-13(16)10-5-2-1-3-6-10/h1-8,13H,9H2",C14H11Cl3,,,,,,YCYYKQAOEBEMPG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.292,288-351-8,85711-92-8,"5-[3-(diethylamino)propyl]-3,8-bis[(ethoxycarbonyl)amino]-6-phenylphenanthridinium chloride monohydrochloride","5-[3-(diethylamino)propyl]-3,8-bis[(ethoxycarbonyl)amino]-6-phenylphenanthridinium chloride hydrochloride",Cl.[Cl-].CCOC(=O)Nc1ccc2c3ccc(NC(=O)OCC)cc3[n+](CCCN(CC)CC)c(c4ccccc4)c2c1,Cl.[Cl-].CCOC(=O)Nc1ccc2c3ccc(NC(=O)OCC)cc3[n+](CCCN(CC)CC)c(c4ccccc4)c2c1,"InChI=1/C32H38N4O4.2ClH/c1-5-35(6-2)19-12-20-36-29-22-25(34-32(38)40-8-4)16-18-27(29)26-17-15-24(33-31(37)39-7-3)21-28(26)30(36)23-13-10-9-11-14-23;;/h9-11,13-18,21-22H,5-8,12,19-20H2,1-4H3,(H,33,37);2*1H",C32H39N4O4.ClH.Cl,,,,,,FPNGGKRHUJSQOA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.841,287-855-5,85586-51-2,"4,4'-[2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diylbis[oxy[3-tert-butyl-4,1-phenylene]isopropylidene]]bis[2-tert-butylphenol]","4,4'-{2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diylbis[oxy(3-tert-butyl-4,1-phenylene)propane-2,2-diyl]}bis(2-tert-butylphenol)",CC(C)(C)c1cc(ccc1O)C(C)(C)c2ccc(OP3OCC4(COP(Oc5ccc(cc5C(C)(C)C)C(C)(C)c6ccc(O)c(c6)C(C)(C)C)OC4)CO3)c(c2)C(C)(C)C,CC(C)(C)c1cc(ccc1O)C(C)(C)c2ccc(OP3OCC4(COP(Oc5ccc(cc5C(C)(C)C)C(C)(C)c6ccc(O)c(c6)C(C)(C)C)OC4)CO3)c(c2)C(C)(C)C,"InChI=1/C51H70O8P2/c1-45(2,3)37-25-33(17-21-41(37)52)49(13,14)35-19-23-43(39(27-35)47(7,8)9)58-60-54-29-51(30-55-60)31-56-61(57-32-51)59-44-24-20-36(28-40(44)48(10,11)12)50(15,16)34-18-22-42(53)38(26-34)46(4,5)6/h17-28,52-53H,29-32H2,1-16H3",C51H70O8P2,,,,,,VGKAMLULXGIVHV-UHFFFAOYSA-N,,,,,,,,,,,
100.079.842,287-856-0,85586-52-3,"4,6-dicyclohexylresorcinol","4,6-dicyclohexylbenzene-1,3-diol",Oc1cc(O)c(cc1C2CCCCC2)C3CCCCC3,Oc1cc(O)c(cc1C2CCCCC2)C3CCCCC3,"InChI=1/C18H26O2/c19-17-12-18(20)16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h11-14,19-20H,1-10H2",C18H26O2,,,,,,GYERJOGJSQRWET-UHFFFAOYSA-N,,,,,,,,,,,
100.079.845,287-859-7,85586-55-6,3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexylamine,3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexanamine,CC1CCC(N)CC1CC2CCC(N)CC2,CC1CCC(N)CC1CC2CCC(N)CC2,"InChI=1/C14H28N2/c1-10-2-5-14(16)9-12(10)8-11-3-6-13(15)7-4-11/h10-14H,2-9,15-16H2,1H3",C14H28N2,,,,,,ZMGAJHDCQTWMMT-UHFFFAOYSA-N,,,,,,,,,,,
100.079.847,287-861-8,85586-57-8,4-[(4-aminocyclohexyl)methyl]-o-toluidine,4-[(4-aminocyclohexyl)methyl]-2-methylaniline,Cc1cc(CC2CCC(N)CC2)ccc1N,Cc1cc(CC2CCC(N)CC2)ccc1N,"InChI=1/C14H22N2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h4,7-8,11,13H,2-3,5-6,9,15-16H2,1H3",C14H22N2,,,,,,VBNMFUUHIPHYTG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.848,287-862-3,85586-58-9,4-[(2-aminocyclohexyl)methyl]-o-toluidine,4-[(2-aminocyclohexyl)methyl]-2-methylaniline,Cc1cc(CC2CCCCC2N)ccc1N,Cc1cc(CC2CCCCC2N)ccc1N,"InChI=1/C14H22N2/c1-10-8-11(6-7-13(10)15)9-12-4-2-3-5-14(12)16/h6-8,12,14H,2-5,9,15-16H2,1H3",C14H22N2,,,,,,CRHCRZNTDDWSCP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.311,288-372-2,85712-13-6,2-hydroxy-3-(octadecyloxy)propyl acetate,2-hydroxy-3-(octadecyloxy)propyl acetate,CCCCCCCCCCCCCCCCCCOCC(O)COC(=O)C,CCCCCCCCCCCCCCCCCCOCC(O)COC(=O)C,"InChI=1/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-23(25)21-27-22(2)24/h23,25H,3-21H2,1-2H3",C23H46O4,,,,,,WEZCLBNXPTWPDH-UHFFFAOYSA-N,,,,,,,,,,,
100.080.316,288-378-5,85717-60-8,"(2a,3aß,5a,6ß,6aß)-(±)-hexahydro-4-methyl-2,5-methano-2H-furo[3,2-b]pyrrol-6-ol hydrobromide","4-methylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-6-ol hydrobromide",Br.CN1[C@@H]2C[C@@H]3C[C@@H]1[C@H](O3)[C@@H]2O,Br.CN1[C@@H]2C[C@@H]3C[C@@H]1[C@H](O3)[C@@H]2O,"InChI=1/C8H13NO2.BrH/c1-9-5-2-4-3-6(9)8(11-4)7(5)10;/h4-8,10H,2-3H2,1H3;1H",C8H13NO2.BrH,,,,,,YWVIGTVEFFOJTA-ZNDPFQNMSA-N,,,,,,,,,,,
100.080.318,288-380-6,85720-74-7,"5-(bromomethyl)-1,3,4-triphenyl-1H-pyrazole","5-(bromomethyl)-1,3,4-triphenyl-1H-pyrazole",BrCc1c(c2ccccc2)c(nn1c3ccccc3)c4ccccc4,BrCc1c(c2ccccc2)c(nn1c3ccccc3)c4ccccc4,"InChI=1/C22H17BrN2/c23-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19/h1-15H,16H2",C22H17BrN2,,,,,,NWRQVEZZBZNXIK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.325,301-603-4,94023-08-2,"Heptaammonium pentahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","heptaammonium pentahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.7H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);7*1H3/p-5",C12H36N4O18P6.7H3N,,,,,,QZXQTKCQJAKXJP-UHFFFAOYSA-I,,,,,,,,,,,
100.092.328,301-607-6,94023-11-7,"Undecaammonium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","undecaammonium hydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.11H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);11*1H3/p-1",C12H36N4O18P6.11H3N,,,,,,KVJSZRPTDIBEMT-UHFFFAOYSA-M,,,,,,,,,,,
100.092.337,301-617-0,94023-20-8,"Pentapotassium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","pentapotassium trihydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.5K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;/q;5*+1/p-8",C10H28N2O12P4.5K,,,,,,FZWFYUHHGJEQGB-UHFFFAOYSA-F,,,,,,,,,,,
100.092.340,301-620-7,94023-23-1,"Heptaammonium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","heptaammonium hydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.7H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);7*1H3/p-1",C10H28N2O12P4.7H3N,,,,,,NDNXEPOGGMDFFG-UHFFFAOYSA-M,,,,,,,,,,,
100.092.341,301-621-2,94023-24-2,Zirconium D-gluconate,"zirconium(2+) bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",[Zr+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[Zr+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/2C6H12O7.Zr/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C6H12O7.xZr,,,,,,UCLGERVGEBIKMJ-IYEMJOQQSA-L,,,,,,,,,,,
100.092.346,301-627-5,94023-29-7,Disodium N-[2-[(carboxylatomethyl)(2-hydroxyethyl)amino]ethyl]-N-(1-oxotetradecyl)glycinate,disodium [{2-[(carboxylatomethyl)(2-hydroxyethyl)amino]ethyl}(tetradecanoyl)amino]acetate,[Na+].[Na+].CCCCCCCCCCCCCC(=O)N(CCN(CCO)CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCC(=O)N(CCN(CCO)CC(=O)[O-])CC(=O)[O-],"InChI=1/C22H42N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)24(19-22(29)30)15-14-23(16-17-25)18-21(27)28;;/h25H,2-19H2,1H3,(H,27,28)(H,29,30);;/q;2*+1/p-2",C22H42N2O6.2Na,,,,,,KGXNDLOESKIXEY-UHFFFAOYSA-L,,,,,,,,,,,
100.092.357,301-639-0,94023-40-2,"N,N'-[iminobis(ethyleneiminoethylene)]bis(octadeca-9,12-dienamide) monoacetate","N-(13-oxo-3,6,9,12-tetraazatriaconta-21,24-dien-1-yl)octadeca-9,12-dienamide acetate (non-preferred name)",CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC.CC(O)=O,CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC.CC(O)=O,"InChI=1/C44H83N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h11-14,17-20,45-47H,3-10,15-16,21-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)",C44H83N5O2.C2H4O2,,,,,,GUKDTEUXHVOXDS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.361,301-643-2,94023-44-6,"4,5-dihydro-1-(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium acetate","1-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium acetate",CCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-],CCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-],"InChI=1/C20H40N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23;1-2(3)4/h23H,2-19H2,1H3;1H3,(H,3,4)",C20H40N2O.C2H4O2,,,,,,YLPVOJIARBNJMT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.289,298-265-2,93783-70-1,"5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium trichlorozincate(1-)","5-(diisopropylamino)-2-{[4-(dimethylamino)phenyl]diazenyl}-3-methyl-1,3,4-thiadiazol-3-ium trichlorozincate(1-)",C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.Cl[Zn-](Cl)Cl,C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.Cl[Zn-](Cl)Cl,"InChI=1/C17H27N6S.3ClH.Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;;;;/h8-13H,1-7H3;3*1H;/q+1;;;;+2/p-3/rC17H27N6S.Cl3Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-4(2)3/h8-13H,1-7H3;/q+1;-1",C17H27N6S.Cl3Zn,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10974,https://echa.europa.eu/substance-information/-/substanceinfo/100.089.289,VAPRHDPLMDUQLM-UHFFFAOYSA-K,,,,,,,,,,,
100.068.886,275-798-9,71662-32-3,Ammonium gold(1+) sulphite,ammonium gold(1+) sulfite,[NH4+].[Au+].[O-]S(=O)[O-],[NH4+].[Au+].[O-]S(=O)[O-],"InChI=1/Au.H3N.H2O3S/c;;1-4(2)3/h;1H3;(H2,1,2,3)/q+1;;/p-1",Au.H3N.H2O3S,,,,,,NHFMFALCHGVCPP-UHFFFAOYSA-M,,,,,,,,,,,
100.068.887,275-799-4,71662-33-4,1-methoxydecene,1-methoxydec-1-ene,COC=CCCCCCCCC,COC=CCCCCCCCC,"InChI=1/C11H22O/c1-3-4-5-6-7-8-9-10-11-12-2/h10-11H,3-9H2,1-2H3",C11H22O,,,,,,OVQHJRCXRNGXRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.068.892,275-805-5,71662-38-9,N-[2-hydroxy-4-[(methylsulphonyl)amino]phenyl]acetamide,N-{2-hydroxy-4-[(methylsulfonyl)amino]phenyl}acetamide,CC(=O)Nc1ccc(NS(=O)(=O)C)cc1O,CC(=O)Nc1ccc(NS(=O)(=O)C)cc1O,"InChI=1/C9H12N2O4S/c1-6(12)10-8-4-3-7(5-9(8)13)11-16(2,14)15/h3-5,11,13H,1-2H3,(H,10,12)",C9H12N2O4S,,,,,,SCOYNBXDYJRPSB-UHFFFAOYSA-N,,,,,,,,,,,
100.068.901,275-814-4,71672-79-2,"N-ethyl-4'-methoxy[1,1'-biphenyl]-2-amine",N-ethyl-4'-methoxybiphenyl-2-amine,CCNc1ccccc1c2ccc(OC)cc2,CCNc1ccccc1c2ccc(OC)cc2,"InChI=1/C15H17NO/c1-3-16-15-7-5-4-6-14(15)12-8-10-13(17-2)11-9-12/h4-11,16H,3H2,1-2H3",C15H17NO,,,,,,GILALLLQYQVNEB-UHFFFAOYSA-N,,,,,,,,,,,
100.062.163,268-399-6,68083-50-1,Methyl a-ethylaziridine-1-acetate,methyl 2-aziridin-1-ylbutanoate,CCC(N1CC1)C(=O)OC,CCC(N1CC1)C(=O)OC,"InChI=1/C7H13NO2/c1-3-6(7(9)10-2)8-4-5-8/h6H,3-5H2,1-2H3",C7H13NO2,,,,,,SBVKABQEJSQEOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.164,268-401-5,68083-52-3,Ethyldimethyl[3-[(1-oxopropyl)amino]propyl]ammonium ethyl sulphate,"N-ethyl-N,N-dimethyl-3-(propionylamino)propan-1-aminium ethyl sulfate",CCOS(=O)(=O)[O-].CCC(=O)NCCC[N+](C)(C)CC,CCOS(=O)(=O)[O-].CCC(=O)NCCC[N+](C)(C)CC,"InChI=1/C10H22N2O.C2H6O4S/c1-5-10(13)11-8-7-9-12(3,4)6-2;1-2-6-7(3,4)5/h5-9H2,1-4H3;2H2,1H3,(H,3,4,5)",C10H23N2O.C2H5O4S,,,,,,ATKRYJRIFWSIMN-UHFFFAOYSA-N,,,,,,,,,,,
100.062.170,268-407-8,68083-58-9,"1,3-dimethyl-3-phenylbutyl acetate","1,3-dimethyl-3-phenylbutyl acetate",CC(CC(C)(C)c1ccccc1)OC(=O)C,CC(CC(C)(C)c1ccccc1)OC(=O)C,"InChI=1/C14H20O2/c1-11(16-12(2)15)10-14(3,4)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3",C14H20O2,,,,,,MXIGGIZQUGDKAP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.178,268-416-7,68084-03-7,Bis(3-methylbutyl) mercaptosuccinate,bis(3-methylbutyl) 2-sulfanylsuccinate,CC(C)CCOC(=O)CC(S)C(=O)OCCC(C)C,CC(C)CCOC(=O)CC(S)C(=O)OCCC(C)C,"InChI=1/C14H26O4S/c1-10(2)5-7-17-13(15)9-12(19)14(16)18-8-6-11(3)4/h10-12,19H,5-9H2,1-4H3",C14H26O4S,,,,,,HHNLQBYPOOATIP-UHFFFAOYSA-N,,,,,,,,,,,
100.062.183,268-421-4,68084-09-3,"Tetrasodium 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate","tetrasodium 5-amino-4-hydroxy-3-({4'-[(2-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(N)c1c(O)c6N=Nc2ccc(cc2OC)c5ccc(N=Nc3c4ccc(cc4cc(c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1cc(cc(N)c1c(O)c6N=Nc2ccc(cc2OC)c5ccc(N=Nc3c4ccc(cc4cc(c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c5)S([O-])(=O)=O,"InChI=1/C34H27N5O16S4.4Na/c1-54-26-11-16(3-7-24(26)36-38-31-22-6-5-20(56(42,43)44)9-18(22)13-29(33(31)40)59(51,52)53)17-4-8-25(27(12-17)55-2)37-39-32-28(58(48,49)50)14-19-10-21(57(45,46)47)15-23(35)30(19)34(32)41;;;;/h3-15,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;/q;4*+1/p-4",C34H27N5O16S4.4Na,,,,,,ZWCNUFNKRHSFAK-UHFFFAOYSA-J,,,,,,,,,,,
100.062.188,268-427-7,68084-15-1,Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(2-methoxy-5-sulphonatophenyl)azo]naphthalene-2-sulphonate,trisodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-3-[(2-methoxy-5-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[Na+].COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H28N6O14S3.3Na/c1-54-27-6-4-3-5-25(27)38-40-31-29(57(48,49)50)15-18-13-20(7-10-23(18)33(31)42)36-35(44)37-21-8-11-24-19(14-21)16-30(58(51,52)53)32(34(24)43)41-39-26-17-22(56(45,46)47)9-12-28(26)55-2;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C35H28N6O14S3.3Na,,,,,,XKUCKKSVLVHMNU-UHFFFAOYSA-K,,,,,,,,,,,
100.062.194,268-434-5,68084-23-1,"Tetrasodium 4-amino-6-[[4'-[(1,8-dihydroxy-3,6-disulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxynaphthalene-1,3-disulphonate","tetrasodium 4-amino-6-({4'-[(1,8-dihydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-hydroxynaphthalene-1,3-disulfonate",[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H27N5O17S4.4Na/c1-55-24-10-15(3-6-20(24)36-38-22-8-5-19-26(58(46,47)48)14-27(59(49,50)51)31(35)30(19)33(22)41)16-4-7-21(25(11-16)56-2)37-39-32-28(60(52,53)54)12-17-9-18(57(43,44)45)13-23(40)29(17)34(32)42;;;;/h3-14,40-42H,35H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",C34H27N5O17S4.4Na,,,,,,JTHOTXPCUHZJCW-UHFFFAOYSA-J,,,,,,,,,,,
100.089.541,298-542-8,93805-60-8,"1,3,3-trimethyl-2-[[(2-nitrophenyl)hydrazono]methyl]-3H-indolium acetate","1,3,3-trimethyl-2-[(2-nitrophenyl)carbonohydrazonoyl]-3H-indolium acetate",[O-]C(C)=O.[O-][N+](=O)c3ccccc3NN=C\\C2=[N+](/C)c1ccccc1C2(C)C,[O-]C(C)=O.[O-][N+](=O)c3ccccc3NN=C\C2=[N+](/C)c1ccccc1C2(C)C,"InChI=1/C18H18N4O2.C2H4O2/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;1-2(3)4/h4-12H,1-3H3;1H3,(H,3,4)",C18H19N4O2.C2H3O2,,,,,,WQVNZRMURSRMKU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.549,298-551-7,93805-68-6,"Ethyl 3-methyl-3-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]oxirane-2-carboxylate","ethyl 2,3-anhydro-4,5-dideoxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enonate",CCOC(=O)C1OC1(C)\\C=C\\C2C(=CCCC2(C)C)C,CCOC(=O)C1OC1(C)\C=C\C2C(=CCCC2(C)C)C,"InChI=1/C17H26O3/c1-6-19-15(18)14-17(5,20-14)11-9-13-12(2)8-7-10-16(13,3)4/h8-9,11,13-14H,6-7,10H2,1-5H3",C17H26O3,,,,,,BSKRNVMSMUYCJR-PKNBQFBNSA-N,,,,,,,,,,,
100.089.551,298-553-8,93805-70-0,"3,5,5-trimethylhexyl phenylacetate","3,5,5-trimethylhexyl phenylacetate",CC(CCOC(=O)Cc1ccccc1)CC(C)(C)C,CC(CCOC(=O)Cc1ccccc1)CC(C)(C)C,"InChI=1/C17H26O2/c1-14(13-17(2,3)4)10-11-19-16(18)12-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3",C17H26O2,,,,,,VKRXQLKRLJQTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.557,298-560-6,93805-76-6,4-cyclopentyl-2-methylcyclohexyl acetate,4-cyclopentyl-2-methylcyclohexyl acetate,CC1CC(CCC1OC(=O)C)C2CCCC2,CC1CC(CCC1OC(=O)C)C2CCCC2,"InChI=1/C14H24O2/c1-10-9-13(12-5-3-4-6-12)7-8-14(10)16-11(2)15/h10,12-14H,3-9H2,1-2H3",C14H24O2,,,,,,BGTRRNMHLKTFAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.135,301-395-5,94021-02-0,Disodium 4-(octadecenyl) 2-sulphonatosuccinate,disodium 4-(octadec-1-en-1-yloxy)-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OC=CCCCCCCCCCCCCCCCC)C(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OC=CCCCCCCCCCCCCCCCC)C(=O)[O-],"InChI=1/C22H40O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;;/h17-18,20H,2-16,19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2",C22H40O7S.2Na,,,,,,AKADZXWYGJBHLS-UHFFFAOYSA-L,,,,,,,,,,,
100.092.136,301-396-0,94021-03-1,Sodium dioctadecenyl sulphonatosuccinate,"sodium 1,4-bis(octadec-1-en-1-yloxy)-1,4-dioxobutane-2-sulfonate",[Na+].[O-]S(=O)(=O)C(CC(=O)OC=CCCCCCCCCCCCCCCCC)C(=O)OC=CCCCCCCCCCCCCCCCC,[Na+].[O-]S(=O)(=O)C(CC(=O)OC=CCCCCCCCCCCCCCCCC)C(=O)OC=CCCCCCCCCCCCCCCCC,"InChI=1/C40H74O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46-39(41)37-38(48(43,44)45)40(42)47-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33-36,38H,3-32,37H2,1-2H3,(H,43,44,45);/q;+1/p-1",C40H74O7S.Na,,,,,,UFPWLPQCVYQTAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.092.139,301-399-7,94021-06-4,"Disodium 1-amino-4-[3-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2,4,6-trimethyl-5-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(3-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-2,4,6-trimethyl-5-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1c(NC(=O)c2cc(Cl)nnc2Cl)c(C)c(c(C)c1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Cc1c(NC(=O)c2cc(Cl)nnc2Cl)c(C)c(c(C)c1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C28H21Cl2N5O9S2.2Na/c1-10-22(11(2)26(46(42,43)44)12(3)23(10)33-28(38)15-8-18(29)34-35-27(15)30)32-16-9-17(45(39,40)41)21(31)20-19(16)24(36)13-6-4-5-7-14(13)25(20)37;;/h4-9,32H,31H2,1-3H3,(H,33,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C28H21Cl2N5O9S2.2Na,,,,,,GFJJJEAJJKHNRO-UHFFFAOYSA-L,,,,,,,,,,,
100.092.140,301-400-0,94021-07-5,"Disodium 1-amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","disodium 1-amino-4-[(3-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-2-methyl-5-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].[Na+].Cc1c(NC(=O)c2cc(Cl)nnc2Cl)cc(cc1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Cc1c(NC(=O)c2cc(Cl)nnc2Cl)cc(cc1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C26H17Cl2N5O9S2.2Na/c1-10-15(6-11(43(37,38)39)7-16(10)31-26(36)14-8-19(27)32-33-25(14)28)30-17-9-18(44(40,41)42)22(29)21-20(17)23(34)12-4-2-3-5-13(12)24(21)35;;/h2-9,30H,29H2,1H3,(H,31,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C26H17Cl2N5O9S2.2Na,,,,,,KJEMTYTWBBEVOC-UHFFFAOYSA-L,,,,,,,,,,,
100.092.142,301-402-1,94021-09-7,"Trisodium 1-[5-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate","trisodium 1-(5-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-2-methyl-3-sulfonatophenyl)-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].Clc1cc(c(Cl)nn1)C(=O)Nc2cc(c(C)c(c2)N4/N=C(\\C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)C([O-])=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc1cc(c(Cl)nn1)C(=O)Nc2cc(c(C)c(c2)N4/N=C(\C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)C([O-])=O)S([O-])(=O)=O,"InChI=1/C22H15Cl2N7O10S2.3Na/c1-9-13(6-10(7-15(9)43(39,40)41)25-20(32)11-8-16(23)27-29-19(11)24)31-21(33)17(18(30-31)22(34)35)28-26-12-4-2-3-5-14(12)42(36,37)38;;;/h2-8,17H,1H3,(H,25,32)(H,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3",C22H15Cl2N7O10S2.3Na,,,,,,HYBWAGNQHLFFAQ-UHFFFAOYSA-K,,,,,,,,,,,
100.079.851,287-866-5,85586-61-4,"5-[(2-aminophenyl)methyl]-2-methylbenzene-1,3-diamine","5-(2-aminobenzyl)-2-methylbenzene-1,3-diamine",Cc1c(N)cc(Cc2ccccc2N)cc1N,Cc1c(N)cc(Cc2ccccc2N)cc1N,"InChI=1/C14H17N3/c1-9-13(16)7-10(8-14(9)17)6-11-4-2-3-5-12(11)15/h2-5,7-8H,6,15-17H2,1H3",C14H17N3,,,,,,RTVGTDHWAYGHNK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.857,287-872-8,85586-67-0,"Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methylpropanoate",CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3",C14H24O2,,,,,,KRKIAJBQOUBNSE-COPLHBTASA-N,,,,,,,,,,,
100.079.859,287-874-9,85586-69-2,"(2-oxo-1,2-diphenylethoxy)methyl dodecane-1-sulphonate","(2-oxo-1,2-diphenylethoxy)methyl dodecane-1-sulfonate",CCCCCCCCCCCCS(=O)(=O)OCOC(C(=O)c1ccccc1)c2ccccc2,CCCCCCCCCCCCS(=O)(=O)OCOC(C(=O)c1ccccc1)c2ccccc2,"InChI=1/C27H38O5S/c1-2-3-4-5-6-7-8-9-10-17-22-33(29,30)32-23-31-27(25-20-15-12-16-21-25)26(28)24-18-13-11-14-19-24/h11-16,18-21,27H,2-10,17,22-23H2,1H3",C27H38O5S,,,,,,HWGDUDVARBKUGF-UHFFFAOYSA-N,,,,,,,,,,,
100.079.861,287-877-5,85586-71-6,"Sodium 1-ethyl 2-[[4-(6-methyl-2,6'-bibenzothiazol-2'-yl)-2-sulphonatophenyl]azo]acetoacetate","sodium 2-[(4-ethoxy-2,4-dioxobutyl)diazenyl]-5-(6-methyl-2,6'-bi-1,3-benzothiazol-2'-yl)benzenesulfonate",[Na+].CCOC(=O)CC(=O)CN=Nc1ccc(cc1S([O-])(=O)=O)c2nc3ccc(cc3s2)c4nc5ccc(C)cc5s4,[Na+].CCOC(=O)CC(=O)CN=Nc1ccc(cc1S([O-])(=O)=O)c2nc3ccc(cc3s2)c4nc5ccc(C)cc5s4,"InChI=1/C27H22N4O6S3.Na/c1-3-37-25(33)13-18(32)14-28-31-21-9-6-17(12-24(21)40(34,35)36)27-30-20-8-5-16(11-23(20)39-27)26-29-19-7-4-15(2)10-22(19)38-26;/h4-12H,3,13-14H2,1-2H3,(H,34,35,36);/q;+1/p-1",C27H22N4O6S3.Na,,,,,,BOJRDSULPNTWOW-UHFFFAOYSA-M,,,,,,,,,,,
100.079.865,287-881-7,85586-75-0,"4,4'-[1,4-phenylenebis[methylene(ethylimino)]]bis[a,a-bis[4-(dimethylamino)phenyl]benzyl] alcohol","{1,4-phenylenebis[methylene(ethylimino)-4,1-phenylene]}bis{bis[4-(dimethylamino)phenyl]methanol}",CCN(Cc1ccc(CN(CC)c2ccc(cc2)C(O)(c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C)cc1)c5ccc(cc5)C(O)(c6ccc(cc6)N(C)C)c7ccc(cc7)N(C)C,CCN(Cc1ccc(CN(CC)c2ccc(cc2)C(O)(c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C)cc1)c5ccc(cc5)C(O)(c6ccc(cc6)N(C)C)c7ccc(cc7)N(C)C,"InChI=1/C58H68N6O2/c1-11-63(55-37-25-49(26-38-55)57(65,45-17-29-51(30-18-45)59(3)4)46-19-31-52(32-20-46)60(5)6)41-43-13-15-44(16-14-43)42-64(12-2)56-39-27-50(28-40-56)58(66,47-21-33-53(34-22-47)61(7)8)48-23-35-54(36-24-48)62(9)10/h13-40,65-66H,11-12,41-42H2,1-10H3",C58H68N6O2,,,,,,BHIAPLCQUZVESM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.867,287-883-8,85586-77-2,"Trisodium 3-[[4-(allylsulphonyl)phenyl]azo]-4-amino-6-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","trisodium 3-{[4-(allylsulfonyl)phenyl]diazenyl}-4-amino-6-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CC=C)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Cl)n5,[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CC=C)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Cl)n5,"InChI=1/C28H21Cl2N9O12S4.3Na/c1-2-9-52(41,42)16-6-3-14(4-7-16)36-38-23-19(54(46,47)48)10-13-11-20(55(49,50)51)24(25(40)21(13)22(23)31)39-37-17-12-15(5-8-18(17)53(43,44)45)32-28-34-26(29)33-27(30)35-28;;;/h2-8,10-12,40H,1,9,31H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,32,33,34,35);;;/q;3*+1/p-3",C28H21Cl2N9O12S4.3Na,,,,,,NYPSNPPQIZWIMX-UHFFFAOYSA-K,,,,,,,,,,,
100.079.872,287-889-0,85586-83-0,"Formic acid, compound with N,N'-(iminodipropane-3,1-diyl)bis[stearamide] (1:1)","formic acid - N,N'-(iminodipropane-3,1-diyl)dioctadecanamide (1:1)",CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O,CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O,"InChI=1/C42H85N3O2.CH2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41(46)44-39-33-37-43-38-34-40-45-42(47)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1-3/h43H,3-40H2,1-2H3,(H,44,46)(H,45,47);1H,(H,2,3)",C42H85N3O2.CH2O2,,,,,,KHKFVBCZTUQUAV-UHFFFAOYSA-N,,,,,,,,,,,
100.081.379,289-549-7,89923-60-4,"Disodium 3,3'-[(2,2'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]","disodium 3,3'-{(2,2'-dimethylbiphenyl-4,4'-diyl)bis[diazene-2,1-diyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}bis(4-chlorobenzenesulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N6/N=C(/C)C(N=Nc2ccc(c(C)c2)c3ccc(cc3C)N=NC5C(\\C)=N/N(c4cc(ccc4Cl)S([O-])(=O)=O)C5=O)C6=O,[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N6/N=C(/C)C(N=Nc2ccc(c(C)c2)c3ccc(cc3C)N=NC5C(\C)=N/N(c4cc(ccc4Cl)S([O-])(=O)=O)C5=O)C6=O,"InChI=1/C34H28Cl2N8O8S2.2Na/c1-17-13-21(37-39-31-19(3)41-43(33(31)45)29-15-23(53(47,48)49)7-11-27(29)35)5-9-25(17)26-10-6-22(14-18(26)2)38-40-32-20(4)42-44(34(32)46)30-16-24(54(50,51)52)8-12-28(30)36;;/h5-16,31-32H,1-4H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C34H28Cl2N8O8S2.2Na,,,,,,BLZZLGFKNHZOGL-UHFFFAOYSA-L,,,,,,,,,,,
100.080.340,288-405-0,85720-96-3,"Naphth[2,1-d]-1,2,3-oxadiazole-5,9-disulphonic acid","naphtho[2,1-d][1,2,3]oxadiazole-5,9-disulfonic acid",OS(=O)(=O)c1cccc2c(cc3nnoc3c12)S(=O)(=O)O,OS(=O)(=O)c1cccc2c(cc3nnoc3c12)S(=O)(=O)O,"InChI=1/C10H6N2O7S2/c13-20(14,15)7-3-1-2-5-8(21(16,17)18)4-6-10(9(5)7)19-12-11-6/h1-4H,(H,13,14,15)(H,16,17,18)",C10H6N2O7S2,,,,,,LECKNZAHKTZQKV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.148,301-408-4,94021-16-6,"1,4-Benzenedisulfonic acid, 2-[[4-[[2-[[4-[[3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-","2-({4-[(2-{[4-({3-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}ethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)benzene-1,4-disulfonic acid",Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c(c(C)c1Nc5nc(Cl)nc(NCCNc6nc(Cl)nc(Nc7cc(ccc7S(=O)(=O)O)S(=O)(=O)O)n6)n5)S(=O)(=O)O,Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c(c(C)c1Nc5nc(Cl)nc(NCCNc6nc(Cl)nc(Nc7cc(ccc7S(=O)(=O)O)S(=O)(=O)O)n6)n5)S(=O)(=O)O,"InChI=1/C37H32Cl2N12O14S4/c1-14-27(43-21-13-23(68(60,61)62)26(40)25-24(21)29(52)18-6-4-5-7-19(18)30(25)53)15(2)31(69(63,64)65)16(3)28(14)45-37-49-33(39)47-35(51-37)42-11-10-41-34-46-32(38)48-36(50-34)44-20-12-17(66(54,55)56)8-9-22(20)67(57,58)59/h4-9,12-13,43H,10-11,40H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H2,41,44,46,48,50)(H2,42,45,47,49,51)",C37H32Cl2N12O14S4,,,,,,BUXJVBRIWXHBFM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.155,301-416-8,94021-23-5,Tetrasodium dihydrogen [nitrilotris(methylene)]trisphosphonate,tetrasodium dihydrogen [nitrilotris(methylene)]tris(phosphonate),[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.4Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-6",C3H12NO9P3.4Na,,,,,,CXKLLWYSNDLIRU-UHFFFAOYSA-H,,,,,,,,,,,
100.091.441,300-630-9,93942-75-7,1-phenyl-2-[4-(phenylmethoxy)phenyl]hydrazine,1-[4-(benzyloxy)phenyl]-2-phenylhydrazine,C(Oc1ccc(NNc2ccccc2)cc1)c3ccccc3,C(Oc1ccc(NNc2ccccc2)cc1)c3ccccc3,"InChI=1/C19H18N2O/c1-3-7-16(8-4-1)15-22-19-13-11-18(12-14-19)21-20-17-9-5-2-6-10-17/h1-14,20-21H,15H2",C19H18N2O,,,,,,DQCPCVSZUQXIDF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.444,300-634-0,93951-12-3,"2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide",CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(Cl)c(CC)c(Cl)c2O,CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(Cl)c(CC)c(Cl)c2O,"InChI=1/C28H39Cl2NO3/c1-9-18-20(29)16-21(25(32)24(18)30)31-26(33)22(10-2)34-23-14-13-17(27(5,6)11-3)15-19(23)28(7,8)12-4/h13-16,22,32H,9-12H2,1-8H3,(H,31,33)",C28H39Cl2NO3,,,,,,LFDFDMAPABBGSE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.446,300-636-1,93951-14-5,"4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-N-(1,1-dimethylethyl)-3-hydroxynaphthalene-2-carboxamide","N-tert-butyl-4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-3-hydroxy-2-naphthamide",CC(C)(C)NC(=O)c5cc1ccccc1c(N=Nc4cccc3C(=O)c2ccccc2C(=O)c34)c5O,CC(C)(C)NC(=O)c5cc1ccccc1c(N=Nc4cccc3C(=O)c2ccccc2C(=O)c34)c5O,"InChI=1/C29H23N3O4/c1-29(2,3)30-28(36)21-15-16-9-4-5-10-17(16)24(27(21)35)32-31-22-14-8-13-20-23(22)26(34)19-12-7-6-11-18(19)25(20)33/h4-15,35H,1-3H3,(H,30,36)",C29H23N3O4,,,,,,ZFXLPLBGWXQZOX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.463,300-655-5,93951-36-1,Bis[(1-methyl-1-phenylethyl)phenyl] isophthalate,bis[2-(1-methyl-1-phenylethyl)phenyl] isophthalate,CC(C)(c1ccccc1)c2ccccc2OC(=O)c3cccc(c3)C(=O)Oc4ccccc4C(C)(C)c5ccccc5,CC(C)(c1ccccc1)c2ccccc2OC(=O)c3cccc(c3)C(=O)Oc4ccccc4C(C)(C)c5ccccc5,"InChI=1/C38H34O4/c1-37(2,29-18-7-5-8-19-29)31-22-11-13-24-33(31)41-35(39)27-16-15-17-28(26-27)36(40)42-34-25-14-12-23-32(34)38(3,4)30-20-9-6-10-21-30/h5-26H,1-4H3",C38H34O4,,,,,,WDBRYIRIVBADDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.471,300-663-9,93951-44-1,Decyl dodecyl trimethyladipate,"1-decyl 6-dodecyl 2,2,3-trimethylhexanedioate",CCCCCCCCCCCCOC(=O)CCC(C)C(C)(C)C(=O)OCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCC(C)C(C)(C)C(=O)OCCCCCCCCCC,"InChI=1/C31H60O4/c1-6-8-10-12-14-16-17-19-20-22-26-34-29(32)25-24-28(3)31(4,5)30(33)35-27-23-21-18-15-13-11-9-7-2/h28H,6-27H2,1-5H3",C31H60O4,,,,,,CFMBRMRAFRPVRE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.474,300-667-0,93951-47-4,Potassium 1-methylnaphthalenesulphonate,"potassium 1-methyl-1,2-dihydronaphthalene-1-sulfonate",[K+].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-],[K+].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-],"InChI=1/C11H12O3S.K/c1-11(15(12,13)14)8-4-6-9-5-2-3-7-10(9)11;/h2-7H,8H2,1H3,(H,12,13,14);/q;+1/p-1",C11H10O3S.K,,,,,,ROPWCECHGCGVLX-UHFFFAOYSA-M,,,,,,,,,,,
100.091.476,300-669-1,93951-49-6,Aluminium 1-methylnaphthalenesulphonate,"aluminum tris(1-methyl-1,2-dihydronaphthalene-1-sulfonate)",[Al+3].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-].CC3(CC=Cc4ccccc34)S(=O)(=O)[O-].CC5(CC=Cc6ccccc56)S(=O)(=O)[O-],[Al+3].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-].CC3(CC=Cc4ccccc34)S(=O)(=O)[O-].CC5(CC=Cc6ccccc56)S(=O)(=O)[O-],"InChI=1/3C11H12O3S.Al/c3*1-11(15(12,13)14)8-4-6-9-5-2-3-7-10(9)11;/h3*2-7H,8H2,1H3,(H,12,13,14);/q;;;+3/p-3",C11H10O3S.1/3Al,,,,,,WIRHTKYDQTWQHY-UHFFFAOYSA-K,,,,,,,,,,,
100.089.562,298-565-3,93805-81-3,L-lysine citrate,"L-lysine 2-hydroxypropane-1,2,3-tricarboxylate (salt)",NCCCC[C@H](N)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O,NCCCC[C@H](N)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C6H14N2O2.C6H8O7/c7-4-2-1-3-5(8)6(9)10;7-3(8)1-6(13,5(11)12)2-4(9)10/h5H,1-4,7-8H2,(H,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H14N2O2.C6H8O7,,,,,,MPOCIPREOMFUSB-JEDNCBNOSA-N,,,,,,,,,,,
100.089.568,298-572-1,93805-87-9,Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate,calcium 2-[(3-carboxylatopropanoyl)amino]-4-(methylsulfanyl)butanoate,[Ca+2].CSCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-],[Ca+2].CSCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-],"InChI=1/C9H15NO5S.Ca/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-2",C9H15NO5S.Ca,,,,,,PTINZVAKLQSFJY-RGMNGODLSA-L,,,,,,,,,,,
100.068.040,274-867-0,70776-19-1,"Trisodium hydrogen 4-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(1-sulphonato-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]benzoate","trisodium hydrogen 4-{[4-chloro-6-({8-hydroxy-3,6-disulfonato-7-[(1-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}benzoate",[H+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(cc5)C([O-])=O)n6,[H+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(cc5)C([O-])=O)n6,"InChI=1/C30H20ClN7O12S3.3Na.H2/c31-28-34-29(32-17-8-5-15(6-9-17)27(40)41)36-30(35-28)33-21-13-18(51(42,43)44)11-16-12-22(52(45,46)47)24(25(39)23(16)21)38-37-20-10-7-14-3-1-2-4-19(14)26(20)53(48,49)50;;;;/h1-13,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;;1H/q;4*+1/p-4",C30H20ClN7O12S3.3Na,,,,,,LDAJEGCAUAHDAT-UHFFFAOYSA-K,,,,,,,,,,,
100.068.046,274-873-3,70776-65-7,(2-hydroxyethyl)ammonium 3-mercaptopropionate,2-hydroxyethanaminium 3-sulfanylpropanoate,[NH3+]CCO.[O-]C(=O)CCS,[NH3+]CCO.[O-]C(=O)CCS,"InChI=1/C3H6O2S.C2H7NO/c4-3(5)1-2-6;3-1-2-4/h6H,1-2H2,(H,4,5);4H,1-3H2",C3H6O2S.C2H7NO,,,,,,HPOPXQQVNOSELN-UHFFFAOYSA-N,,,,,,,,,,,
100.068.049,274-877-5,70776-71-5,(3-decyloxy-2-hydroxypropyl)ethylbis(2-hydroxyethyl)ammonium ethyl sulphate,"3-(decyloxy)-N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)propan-1-aminium ethyl sulfate",CCCCCCCCCCOCC(O)C[N+](CC)(CCO)CCO.CCOS(=O)(=O)[O-],CCCCCCCCCCOCC(O)C[N+](CC)(CCO)CCO.CCOS(=O)(=O)[O-],"InChI=1/C19H42NO4.C2H6O4S/c1-3-5-6-7-8-9-10-11-16-24-18-19(23)17-20(4-2,12-14-21)13-15-22;1-2-6-7(3,4)5/h19,21-23H,3-18H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C19H42NO4.C2H5O4S,,,,,,CFOGILBDCOLWPT-UHFFFAOYSA-M,,,,,,,,,,,
100.068.050,274-878-0,70776-73-7,Ethylbis(2-hydroxyethyl)[2-hydroxy-3-(octyloxy)propyl]ammonium ethyl sulphate,"N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-3-(octyloxy)propan-1-aminium ethyl sulfate",CCCCCCCCOCC(O)C[N+](CC)(CCO)CCO.CCOS(=O)(=O)[O-],CCCCCCCCOCC(O)C[N+](CC)(CCO)CCO.CCOS(=O)(=O)[O-],"InChI=1/C17H38NO4.C2H6O4S/c1-3-5-6-7-8-9-14-22-16-17(21)15-18(4-2,10-12-19)11-13-20;1-2-6-7(3,4)5/h17,19-21H,3-16H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C17H38NO4.C2H5O4S,,,,,,OHGYZOGVOWTJCX-UHFFFAOYSA-M,,,,,,,,,,,
100.068.051,274-879-6,70776-74-8,Ammonium 3-mercaptopropionate,ammonium 3-sulfanylpropanoate,[NH4+].[O-]C(=O)CCS,[NH4+].[O-]C(=O)CCS,"InChI=1/C3H6O2S.H3N/c4-3(5)1-2-6;/h6H,1-2H2,(H,4,5);1H3",C3H6O2S.H3N,,,,,,HCTNQQPHPIGLQV-UHFFFAOYSA-N,,,,,,,,,,,
100.068.069,274-899-5,70795-76-5,"(Z)-3,7-dimethyloct-2-enyl acetate","3,7-dimethyloct-2-en-1-yl acetate",CC(C)CCC\\C(=C/COC(=O)C)\\C,CC(C)CCC\C(=C/COC(=O)C)\C,"InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h8,10H,5-7,9H2,1-4H3",C12H22O2,,,,,,LZLOAANJNAQPIH-FLIBITNWSA-N,,,,,,,,,,,
100.068.072,274-903-5,70804-02-3,"N-(2,2,6,6-tetramethyl-4-piperidyl)ethylenediamine","N-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine",CC1(C)CC(CC(C)(C)N1)NCCN,CC1(C)CC(CC(C)(C)N1)NCCN,"InChI=1/C11H25N3/c1-10(2)7-9(13-6-5-12)8-11(3,4)14-10/h9,13-14H,5-8,12H2,1-4H3",C11H25N3,,,,,,LZZWTDIRGVWWJL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.075,274-906-1,70815-09-7,"Disodium 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulphonato-o-tolyl)azo]-1H-pyrazol-1-yl]benzenesulphonate","disodium 2,5-dichloro-4-{3-methyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c3ccc(N=NC2C(\\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(C)c3,[Na+].[Na+].[O-]S(=O)(=O)c3ccc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(C)c3,"InChI=1/C17H14Cl2N4O7S2.2Na/c1-8-5-10(31(25,26)27)3-4-13(8)20-21-16-9(2)22-23(17(16)24)14-6-12(19)15(7-11(14)18)32(28,29)30;;/h3-7,16H,1-2H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C17H14Cl2N4O7S2.2Na,,,,,,ORTVHVYZJDCSHF-UHFFFAOYSA-L,,,,,,,,,,,
100.068.927,275-843-2,71686-01-6,Calcium 2-oxoglutarate,calcium 2-oxopentanedioate,[Ca+2].[O-]C(=O)CCC(=O)C(=O)[O-],[Ca+2].[O-]C(=O)CCC(=O)C(=O)[O-],"InChI=1/C5H6O5.Ca/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+2/p-2",C5H6O5.Ca,,,,,,LADYPAWUSNPKJF-UHFFFAOYSA-L,,,,,,,,,,,
100.068.928,275-844-8,71686-02-7,"Tetrahydro-1,3-bis(3-hydroxy-2,2-dimethylpropyl)-1H-pyrimidin-2-one","1,3-bis(3-hydroxy-2,2-dimethylpropyl)tetrahydropyrimidin-2(1H)-one",CC(C)(CO)CN1CCCN(CC(C)(C)CO)C1=O,CC(C)(CO)CN1CCCN(CC(C)(C)CO)C1=O,"InChI=1/C14H28N2O3/c1-13(2,10-17)8-15-6-5-7-16(12(15)19)9-14(3,4)11-18/h17-18H,5-11H2,1-4H3",C14H28N2O3,,,,,,DIDLCHLFJFQPII-UHFFFAOYSA-N,,,,,,,,,,,
100.068.934,275-851-6,71698-87-8,(Z)-9-octadecenyl hydrogen maleate,4-(octadec-9-en-1-yloxy)-4-oxobut-2-enoic acid,CCCCCCCC\\C=C/CCCCCCCCOC(=O)\\C=C/C(=O)O,CCCCCCCC\C=C/CCCCCCCCOC(=O)\C=C/C(=O)O,"InChI=1/C22H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24)",C22H38O4,,,,,,WLYVBDOFKMGCBL-DEXHTJMYSA-N,,,,,,,,,,,
100.068.951,275-869-4,71701-25-2,N-[4-[[5-tert-butyl-2-hydroxyphenyl]azo]phenyl]benzamide,N-{4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl}benzamide,Oc3ccc(cc3N=Nc2ccc(NC(=O)c1ccccc1)cc2)C(C)(C)C,Oc3ccc(cc3N=Nc2ccc(NC(=O)c1ccccc1)cc2)C(C)(C)C,"InChI=1/C23H23N3O2/c1-23(2,3)17-9-14-21(27)20(15-17)26-25-19-12-10-18(11-13-19)24-22(28)16-7-5-4-6-8-16/h4-15,27H,1-3H3,(H,24,28)",C23H23N3O2,,,,,,CYESRZCGNJEARP-UHFFFAOYSA-N,,,,,,,,,,,
100.068.954,275-873-6,71701-31-0,"Disodium 4-hydroxy-3-[[4-[2-(sulphonatooxy)ethoxy]phenyl]azo]-7-[(2,5,6-trichloro-4-pyrimidinyl)amino]naphthalene-2-sulphonate","disodium 4-hydroxy-3-({4-[2-(sulfonatooxy)ethoxy]phenyl}diazenyl)-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2-sulfonate",[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OCCOS([O-])(=O)=O)cc1)c(O)c3cc2)S([O-])(=O)=O)c(Cl)c(Cl)n4,[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OCCOS([O-])(=O)=O)cc1)c(O)c3cc2)S([O-])(=O)=O)c(Cl)c(Cl)n4,"InChI=1/C22H16Cl3N5O9S2.2Na/c23-17-20(24)27-22(25)28-21(17)26-13-3-6-15-11(9-13)10-16(40(32,33)34)18(19(15)31)30-29-12-1-4-14(5-2-12)38-7-8-39-41(35,36)37;;/h1-6,9-10,31H,7-8H2,(H,26,27,28)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C22H16Cl3N5O9S2.2Na,,,,,,KXPJUVZGVLIKKQ-UHFFFAOYSA-L,,,,,,,,,,,
100.068.955,275-874-1,71701-32-1,3-[4-[ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulphonyl]acrylonitrile,2-[(4-{2-cyano-2-[(4-methylphenyl)sulfonyl]vinyl}-3-methylphenyl)(ethyl)amino]ethyl phenylcarbamate,CCN(CCOC(=O)Nc1ccccc1)c2ccc(\\C=C(\\C#N)/S(=O)(=O)c3ccc(C)cc3)c(C)c2,CCN(CCOC(=O)Nc1ccccc1)c2ccc(\C=C(\C#N)/S(=O)(=O)c3ccc(C)cc3)c(C)c2,"InChI=1/C28H29N3O4S/c1-4-31(16-17-35-28(32)30-24-8-6-5-7-9-24)25-13-12-23(22(3)18-25)19-27(20-29)36(33,34)26-14-10-21(2)11-15-26/h5-15,18-19H,4,16-17H2,1-3H3,(H,30,32)",C28H29N3O4S,,,,,,HMKGGKYUONJYEL-DIBXZPPDSA-N,,,,,,,,,,,
100.068.957,275-876-2,71720-29-1,Calcium L-leucinate,calcium bis(2-amino-4-methylpentanoate),[Ca+2].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-],[Ca+2].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-],"InChI=1/2C6H13NO2.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4-5H,3,7H2,1-2H3,(H,8,9);/q;;+2/p-2",C6H13NO2.Ca,,,,,,PHKLZDRZEQKKHO-MDTVQASCSA-L,,,,,,,,,,,
100.062.209,268-450-2,68085-85-8,"a-cyano-3-phenoxybenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate","cyano(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate",ClC(=CC3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F,ClC(=CC3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F,"InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",C23H19ClF3NO3,,,,,,ZXQYGBMAQZUVMI-UHFFFAOYSA-N,,,,,,,,,,,
100.062.216,268-458-6,68092-45-5,Cadmium m-toluate,cadmium bis(3-methylbenzoate),[Cd+2].Cc1cccc(c1)C(=O)[O-].Cc2cccc(c2)C(=O)[O-],[Cd+2].Cc1cccc(c1)C(=O)[O-].Cc2cccc(c2)C(=O)[O-],"InChI=1/2C8H8O2.Cd/c2*1-6-3-2-4-7(5-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2",C8H8O2.1/2Cd,,,,,,NKURFNBXKPMIBS-UHFFFAOYSA-L,,,,,,,,,,,
100.062.241,268-485-3,68109-72-8,Diethylammonium dihydrogen phosphate,N-ethylethanaminium dihydrogen phosphate,CC[NH2+]CC.[O-]P(=O)([O-])[O-],CC[NH2+]CC.[O-]P(=O)([O-])[O-],"InChI=1/C4H11N.H3O4P/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)/p-2",C4H11N.H3O4P,,,,,,ASLNLSYDVOWAFS-UHFFFAOYSA-L,,,,,,,,,,,
100.068.078,274-909-8,70815-25-7,"Dipotassium 3-[3-carbamoyl-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-pyridylazo]phenylphosphonate","dipotassium {3-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]phenyl}phosphonate",[K+].[K+].O=C2/C(=C(/C)\\C(\\N=Nc1cccc(c1)P([O-])([O-])=O)=C(\\O)N2CC)C(N)=O,[K+].[K+].O=C2/C(=C(/C)\C(\N=Nc1cccc(c1)P([O-])([O-])=O)=C(\O)N2CC)C(N)=O,"InChI=1/C15H17N4O6P.2K/c1-3-19-14(21)11(13(16)20)8(2)12(15(19)22)18-17-9-5-4-6-10(7-9)26(23,24)25;;/h4-7,22H,3H2,1-2H3,(H2,16,20)(H2,23,24,25);;/q;2*+1/p-2",C15H17N4O6P.2K,,,,,,PEFXPENJDNZXLS-UHFFFAOYSA-L,,,,,,,,,,,
100.068.099,274-932-3,70851-47-7,(chloromethyl)dodecyldimethylsilane,(chloromethyl)(dodecyl)dimethylsilane,CCCCCCCCCCCC[Si](C)(C)CCl,CCCCCCCCCCCC[Si](C)(C)CCl,"InChI=1/C15H33ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16/h4-15H2,1-3H3",C15H33ClSi,,,,,,YUWMHVAIAHCLSE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.100,274-933-9,70851-48-8,Trichlorotriacontylsilane,trichloro(triacontyl)silane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1/C30H61Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(31,32)33/h2-30H2,1H3",C30H61Cl3Si,,,,,,UADSXMQUUGJFAW-UHFFFAOYSA-N,,,,,,,,,,,
100.068.102,274-936-5,70851-50-2,Dimethoxymethyloctadecylsilane,(dimethoxymethyl)(octadecyl)silane,CCCCCCCCCCCCCCCCCC[SiH2]C(OC)OC,CCCCCCCCCCCCCCCCCC[SiH2]C(OC)OC,"InChI=1/C21H46O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(22-2)23-3/h21H,4-20,24H2,1-3H3",C21H46O2Si,,,,,,ISDNZSPPXJMDID-UHFFFAOYSA-N,,,,,,,,,,,
100.068.103,274-937-0,70851-51-3,1-[3-(trimethoxysilyl)propyl]-1H-imidazole,1-[3-(trimethoxysilyl)propyl]-1H-imidazole,CO[Si](CCCn1ccnc1)(OC)OC,CO[Si](CCCn1ccnc1)(OC)OC,"InChI=1/C9H18N2O3Si/c1-12-15(13-2,14-3)8-4-6-11-7-5-10-9-11/h5,7,9H,4,6,8H2,1-3H3",C9H18N2O3Si,,,,,,LLIFKTIQXYJAHL-UHFFFAOYSA-N,,,,,,,,,,,
100.068.110,274-944-9,70857-56-6,Bis(2-methyloctyl) phthalate,bis(2-methyloctyl) phthalate,CCCCCCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CCCCCC,CCCCCCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CCCCCC,"InChI=1/C26H42O4/c1-5-7-9-11-15-21(3)19-29-25(27)23-17-13-14-18-24(23)26(28)30-20-22(4)16-12-10-8-6-2/h13-14,17-18,21-22H,5-12,15-16,19-20H2,1-4H3",C26H42O4,,,,,,GXRDMEGSBKPONF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.970,275-890-9,71720-42-8,Sodium aminobenzoate,sodium 2-aminobenzoate,[Na+].Nc1ccccc1C(=O)[O-],[Na+].Nc1ccccc1C(=O)[O-],"InChI=1/C7H7NO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",C7H7NO2.Na,,,,,,HCKKSLZDSNNSTL-UHFFFAOYSA-M,,,,,,,,,,,
100.080.348,288-413-4,85721-04-6,6-fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene,6-fluoro-9-(3-iodopropyl)-2-(trifluoromethyl)-9H-thioxanthene,Fc1ccc2C(CCCI)c3cc(ccc3Sc2c1)C(F)(F)F,Fc1ccc2C(CCCI)c3cc(ccc3Sc2c1)C(F)(F)F,"InChI=1/C17H13F4IS/c18-11-4-5-13-12(2-1-7-22)14-8-10(17(19,20)21)3-6-15(14)23-16(13)9-11/h3-6,8-9,12H,1-2,7H2",C17H13F4IS,,,,,,FXKLTDSAOBKIMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.359,288-426-5,85721-15-9,"4-[4-[[5-(anilinosulphonyl)-o-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonic acid","2,5-dichloro-4-(3-methyl-4-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",O=S(=O)(Nc1ccccc1)c4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(C)cc4,O=S(=O)(Nc1ccccc1)c4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(C)cc4,"InChI=1/C23H19Cl2N5O6S2/c1-13-8-9-16(37(32,33)29-15-6-4-3-5-7-15)10-19(13)26-27-22-14(2)28-30(23(22)31)20-11-18(25)21(12-17(20)24)38(34,35)36/h3-12,22,29H,1-2H3,(H,34,35,36)",C23H19Cl2N5O6S2,,,,,,DTMSJUWGFSLCCW-UHFFFAOYSA-N,,,,,,,,,,,
100.080.362,288-429-1,85721-18-2,1-methyl-3-pentylindan,1-methyl-3-pentylindane,CCCCCC1CC(C)c2ccccc12,CCCCCC1CC(C)c2ccccc12,"InChI=1/C15H22/c1-3-4-5-8-13-11-12(2)14-9-6-7-10-15(13)14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3",C15H22,,,,,,WYJGPGQXRYNHKF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.368,288-435-4,85721-24-0,Calcium bis[4-(p-chlorophenyl)-2-phenylthiazol-5-acetate],"calcium bis{[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetate}",[Ca+2].[O-]C(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3.[O-]C(=O)Cc4sc(nc4c5ccc(Cl)cc5)c6ccccc6,[Ca+2].[O-]C(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3.[O-]C(=O)Cc4sc(nc4c5ccc(Cl)cc5)c6ccccc6,"InChI=1/2C17H12ClNO2S.Ca/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h2*1-9H,10H2,(H,20,21);/q;;+2/p-2",C17H12ClNO2S.1/2Ca,,,,,,WGCKYSZZBQAHJJ-UHFFFAOYSA-L,,,,,,,,,,,
100.080.370,288-438-0,85721-26-2,"8-oxiranyloctane-1,2-diol","8-oxiran-2-yloctane-1,2-diol",OCC(O)CCCCCCC1CO1,OCC(O)CCCCCCC1CO1,"InChI=1/C10H20O3/c11-7-9(12)5-3-1-2-4-6-10-8-13-10/h9-12H,1-8H2",C10H20O3,,,,,,VPIQDISYPDEOGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.480,289-662-1,89987-98-4,Tridecafluorohexanesulphenyl chloride,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfenyl chloride",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)SCl,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)SCl,"InChI=1/C6ClF13S/c7-21-6(19,20)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)18",C6ClF13S,,,,,,BEDWVNVYPXSFLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.128,288-170-4,85665-79-8,2-phenoxy-1-(2-phenoxyethoxy)ethanol,2-phenoxy-1-(2-phenoxyethoxy)ethanol,OC(COc1ccccc1)OCCOc2ccccc2,OC(COc1ccccc1)OCCOc2ccccc2,"InChI=1/C16H18O4/c17-16(13-20-15-9-5-2-6-10-15)19-12-11-18-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2",C16H18O4,,,,,,HXLDACPZFFAQJP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.130,288-173-0,85665-81-2,"3,7-dimethyl-1-(2-phenylethoxy)octane-1,7-diol","3,7-dimethyl-1-(2-phenylethoxy)octane-1,7-diol",CC(CCCC(C)(C)O)CC(O)OCCc1ccccc1,CC(CCCC(C)(C)O)CC(O)OCCc1ccccc1,"InChI=1/C18H30O3/c1-15(8-7-12-18(2,3)20)14-17(19)21-13-11-16-9-5-4-6-10-16/h4-6,9-10,15,17,19-20H,7-8,11-14H2,1-3H3",C18H30O3,,,,,,LWPLJHROTQIHMD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.134,288-177-2,85665-85-6,2-hydroxy-5-[[(1-methyl-3-phenylpropyl)amino]acetyl]benzamide,2-hydroxy-5-[N-(1-methyl-3-phenylpropyl)glycyl]benzamide,CC(CCc1ccccc1)NCC(=O)c2ccc(O)c(c2)C(=O)N,CC(CCc1ccccc1)NCC(=O)c2ccc(O)c(c2)C(=O)N,"InChI=1/C19H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24)",C19H22N2O3,,,,,,BHKMAOIKHVZJCC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.135,288-178-8,85665-86-7,"6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane","6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane",CC1C2CC(C3CCCCC3)C(C2)C1(C)C,CC1C2CC(C3CCCCC3)C(C2)C1(C)C,"InChI=1/C16H28/c1-11-13-9-14(12-7-5-4-6-8-12)15(10-13)16(11,2)3/h11-15H,4-10H2,1-3H3",C16H28,,,,,,CMDLWMRZWLVTBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.138,288-181-4,85665-91-4,Pentylcyclohexyl acetate,1-pentylcyclohexyl acetate,CCCCCC1(CCCCC1)OC(=O)C,CCCCCC1(CCCCC1)OC(=O)C,"InChI=1/C13H24O2/c1-3-4-6-9-13(15-12(2)14)10-7-5-8-11-13/h3-11H2,1-2H3",C13H24O2,,,,,,PXKHJCMKWLCRFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.974,290-205-3,90086-80-9,Bicyclo[2.2.1]hept-5-ene-2-carbaldehyde oxime,bicyclo[2.2.1]hept-5-ene-2-carbaldehyde oxime,ON=CC2CC1/C=C\\C2C1,ON=CC2CC1/C=C\C2C1,"InChI=1/C8H11NO/c10-9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8,10H,3-4H2",C8H11NO,,,,,,YRJJACGAHQXMPD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.194,288-243-0,85702-52-9,Calcium bis[4-[[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate],calcium bis[4-({1-[(4-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate],[Ca+2].Cc1ccc(cc1)NC(=O)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.Cc1ccc(cc1)NC(=O)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O,[Ca+2].Cc1ccc(cc1)NC(=O)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.Cc1ccc(cc1)NC(=O)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O,"InChI=1/2C17H16N4O7S.Ca/c2*1-10-3-5-12(6-4-10)18-17(23)16(11(2)22)20-19-14-8-7-13(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2",C17H16N4O7S.1/2Ca,,,,,,KAPVBSSUEGFASX-UHFFFAOYSA-L,,,,,,,,,,,
100.089.570,298-574-2,93805-89-1,Isopropyl DL-methionate hydrochloride,isopropyl L-methioninate hydrochloride,Cl.CSCC[C@H](N)C(=O)OC(C)C,Cl.CSCC[C@H](N)C(=O)OC(C)C,"InChI=1/C8H17NO2S.ClH/c1-6(2)11-8(10)7(9)4-5-12-3;/h6-7H,4-5,9H2,1-3H3;1H",C8H17NO2S.ClH,,,,,,ONXXRAMAPIOLSS-FJXQXJEOSA-N,,,,,,,,,,,
100.089.571,298-575-8,93805-90-4,2-hydroxypropyl DL-methionate hydrochloride,2-hydroxypropyl L-methioninate hydrochloride,Cl.CSCC[C@H](N)C(=O)OCC(C)O,Cl.CSCC[C@H](N)C(=O)OCC(C)O,"InChI=1/C8H17NO3S.ClH/c1-6(10)5-12-8(11)7(9)3-4-13-2;/h6-7,10H,3-5,9H2,1-2H3;1H",C8H17NO3S.ClH,,,,,,RDWMZVCVYPOGKJ-JWOPXBRZSA-N,,,,,,,,,,,
100.089.586,298-592-0,93820-07-6,4-[2-[[2-(acetoxy)ethyl]amino]-2-oxoethoxy]-1-hydroxy-2-naphthoic acid,4-{2-[(2-acetoxyethyl)amino]-2-oxoethoxy}-1-hydroxy-2-naphthoic acid,CC(=O)OCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12,CC(=O)OCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12,"InChI=1/C17H17NO7/c1-10(19)24-7-6-18-15(20)9-25-14-8-13(17(22)23)16(21)12-5-3-2-4-11(12)14/h2-5,8,21H,6-7,9H2,1H3,(H,18,20)(H,22,23)",C17H17NO7,,,,,,QZZPCOBRIQUCOP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.166,301-428-3,94021-34-8,"5-[[2-amino-4-hydroxy-5-[[4-[(4-nitro-2-sulphophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-3-[[4-[(4-nitro-2-sulphophenyl)amino]phenyl]azo]naphthalene-2,7-disulphonic acid","5-{[2-amino-4-hydroxy-5-({4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxy-3-({4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazenyl)naphthalene-2,7-disulfonic acid",[O-][N+](=O)c7ccc(Nc1ccc(cc1)N=Nc2c(O)c6c(cc2S(O)(=O)=O)cc(cc6N=Nc5cc(N=Nc4ccc(Nc3ccc(cc3S(O)(=O)=O)[N+]([O-])=O)cc4)c(O)cc5N)S(O)(=O)=O)c(c7)S(O)(=O)=O,[O-][N+](=O)c7ccc(Nc1ccc(cc1)N=Nc2c(O)c6c(cc2S(O)(=O)=O)cc(cc6N=Nc5cc(N=Nc4ccc(Nc3ccc(cc3S(O)(=O)=O)[N+]([O-])=O)cc4)c(O)cc5N)S(O)(=O)=O)c(c7)S(O)(=O)=O,"InChI=1/C40H29N11O18S4/c41-28-18-34(52)32(47-44-23-5-1-21(2-6-23)42-29-11-9-25(50(54)55)15-35(29)71(61,62)63)19-31(28)46-48-33-17-27(70(58,59)60)13-20-14-37(73(67,68)69)39(40(53)38(20)33)49-45-24-7-3-22(4-8-24)43-30-12-10-26(51(56)57)16-36(30)72(64,65)66/h1-19,42-43,52-53H,41H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)",C40H29N11O18S4,,,,,,ONKAQVKGLACWNT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.172,301-435-1,94021-40-6,2-phenyl-5-propylpyrazine,2-phenyl-5-propylpyrazine,CCCc1cnc(cn1)c2ccccc2,CCCc1cnc(cn1)c2ccccc2,"InChI=1/C13H14N2/c1-2-6-12-9-15-13(10-14-12)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3",C13H14N2,,,,,,LEOYBBISWJJHQM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.175,301-438-8,94021-43-9,2-(5-methylthiazol-4-yl)ethyl propionate,"2-(5-methyl-1,3-thiazol-4-yl)ethyl propionate",CCC(=O)OCCc1ncsc1C,CCC(=O)OCCc1ncsc1C,"InChI=1/C9H13NO2S/c1-3-9(11)12-5-4-8-7(2)13-6-10-8/h6H,3-5H2,1-2H3",C9H13NO2S,,,,,,HEVNJCHQOIKSBD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.177,301-440-9,94021-45-1,"5,5,7-trimethylocta-3,7-dien-2-one","5,5,7-trimethylocta-3,7-dien-2-one",CC(=O)C=CC(C)(C)CC(=C)C,CC(=O)C=CC(C)(C)CC(=C)C,"InChI=1/C11H18O/c1-9(2)8-11(4,5)7-6-10(3)12/h6-7H,1,8H2,2-5H3",C11H18O,,,,,,UXHQEWRXRXZPBE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.190,301-455-0,94021-60-0,"Octahydrodimethyl-2,5-methano-2H-indeno[1,2-b]oxirene","1a,1b-dimethyloctahydro-1aH-2,5-methanoindeno[1,2-b]oxirene",CC12OC1CC3C4CCC(C4)C23C,CC12OC1CC3C4CCC(C4)C23C,"InChI=1/C12H18O/c1-11-8-4-3-7(5-8)9(11)6-10-12(11,2)13-10/h7-10H,3-6H2,1-2H3",C12H18O,,,,,,PAUUDXLERVYXKM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.199,301-465-5,94021-72-4,"5-oxo-L-proline, compound with 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide (2:1)",5-oxo-L-proline - 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide (2:1),CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.OC(=O)[C@@H]2CCC(=O)N2.OC(=O)[C@@H]3CCC(=O)N3,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.OC(=O)[C@@H]2CCC(=O)N2.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C14H22ClN3O2.2C5H7NO3/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;2*7-4-2-1-3(6-4)5(8)9/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*3H,1-2H2,(H,6,7)(H,8,9)",C14H22ClN3O2.2C5H7NO3,,,,,,FYAHTHOQPKDGPL-YHUPNWGDSA-N,,,,,,,,,,,
100.085.265,293-827-3,91290-76-5,N-cyclohexylpiperazine-1-acetamide monohydrochloride,N-cyclohexyl-2-piperazin-1-ylacetamide hydrochloride,Cl.O=C(CN1CCNCC1)NC2CCCCC2,Cl.O=C(CN1CCNCC1)NC2CCCCC2,"InChI=1/C12H23N3O.ClH/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11;/h11,13H,1-10H2,(H,14,16);1H",C12H23N3O.ClH,,,,,,NJIZIJFDFPHEQU-UHFFFAOYSA-N,,,,,,,,,,,
100.085.266,293-828-9,91362-37-7,"Bis(2,4-di-tert-butylphenyl) [1,1-biphenyl]-4-ylphosphonite","bis(2,4-di-tert-butylphenyl) biphenyl-4-ylphosphonite",CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)c3ccc(cc3)c4ccccc4)c(c1)C(C)(C)C,CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)c3ccc(cc3)c4ccccc4)c(c1)C(C)(C)C,"InChI=1/C40H51O2P/c1-37(2,3)30-20-24-35(33(26-30)39(7,8)9)41-43(32-22-18-29(19-23-32)28-16-14-13-15-17-28)42-36-25-21-31(38(4,5)6)27-34(36)40(10,11)12/h13-27H,1-12H3",C40H51O2P,,,,,,PKNOHCARANUOTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.085.275,293-838-3,91471-08-8,3-methoxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]benzaldehyde,3-methoxy-4-(tetrahydro-2H-pyran-2-yloxy)benzaldehyde,COc1cc(C=O)ccc1OC2CCCCO2,COc1cc(C=O)ccc1OC2CCCCO2,"InChI=1/C13H16O4/c1-15-12-8-10(9-14)5-6-11(12)17-13-4-2-3-7-16-13/h5-6,8-9,13H,2-4,7H2,1H3",C13H16O4,,,,,,LLTXNXRCBBBYKB-UHFFFAOYSA-N,,,,,,,,,,,
100.085.277,293-840-4,91558-42-8,Benzyl [1-(aminocarbonyl)-2-hydroxypropyl]carbamate,benzyl (1-carbamoyl-2-hydroxypropyl)carbamate,CC(O)C(NC(=O)OCc1ccccc1)C(=O)N,CC(O)C(NC(=O)OCc1ccccc1)C(=O)N,"InChI=1/C12H16N2O4/c1-8(15)10(11(13)16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H2,13,16)(H,14,17)",C12H16N2O4,,,,,,PYZXYZOBPGPOFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.198,288-247-2,85702-56-3,2-hydroxyethyl 4-[[dibutyl[(1-oxododecyl)oxy]stannyl]oxy]-4-oxobut-2-enoate,2-hydroxyethyl 4-{[dibutyl(dodecanoyloxy)stannyl]oxy}-4-oxobut-2-enoate,O=C(O[Sn](CCCC)(OC(=O)CCCCCCCCCCC)CCCC)C=CC(=O)OCCO,O=C(O[Sn](CCCC)(OC(=O)CCCCCCCCCCC)CCCC)C=CC(=O)OCCO,"InChI=1/C12H24O2.C6H8O5.2C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-3-4-11-6(10)2-1-5(8)9;2*1-3-4-2;/h2-11H2,1H3,(H,13,14);1-2,7H,3-4H2,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H48O7Sn/c1-4-7-10-11-12-13-14-15-16-17-25(29)32-34(22-8-5-2,23-9-6-3)33-26(30)19-18-24(28)31-21-20-27/h18-19,27H,4-17,20-23H2,1-3H3",C26H48O7Sn,,,,,,GLCIBGCASUVDTQ-UHFFFAOYSA-L,,,,,,,,,,,
100.080.206,288-256-1,85702-64-3,"5,7-dibromo-2-(5-bromo-7-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one","5,5',7-tribromo-7'-chloro-2,2'-biindole-3,3'(1H,1'H)-dione",O=C3c4cc(Br)cc(Cl)c4NC3=C2Nc1c(Br)cc(Br)cc1C2=O,O=C3c4cc(Br)cc(Cl)c4NC3=C2Nc1c(Br)cc(Br)cc1C2=O,"InChI=1/C16H6Br3ClN2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H",C16H6Br3ClN2O2,,,,,,UOWUGDPSFZLTMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.209,288-259-8,85702-69-8,"2-[4-(a,a,a-trifluoro-p-tolyl)-1-piperazinyl]ethyl o-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate",2-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate,FC(F)(F)c1ccc(cc1)N2CCN(CCOC(=O)c3ccccc3Nc4ccnc5cc(ccc45)C(F)(F)F)CC2,FC(F)(F)c1ccc(cc1)N2CCN(CCOC(=O)c3ccccc3Nc4ccnc5cc(ccc45)C(F)(F)F)CC2,"InChI=1/C30H26F6N4O2/c31-29(32,33)20-5-8-22(9-6-20)40-15-13-39(14-16-40)17-18-42-28(41)24-3-1-2-4-25(24)38-26-11-12-37-27-19-21(30(34,35)36)7-10-23(26)27/h1-12,19H,13-18H2,(H,37,38)",C30H26F6N4O2,,,,,,WRYWRWYLEHDHGS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.210,288-260-3,85702-70-1,5-chloro-2-(methylamino)benzonitrile,5-chloro-2-(methylamino)benzonitrile,CNc1ccc(Cl)cc1C#N,CNc1ccc(Cl)cc1C#N,"InChI=1/C8H7ClN2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,11H,1H3",C8H7ClN2,,,,,,UFOXVUGKBFWWMB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.225,288-277-6,85702-85-8,"2,2,4,4-tetrabutyl-7-hydroxy-1,3,5,2,4-trioxadistannonane-6,9-dione","2,2,4,4-tetrabutyl-7-hydroxy-1,3,5,2,4-trioxadistannonane-6,9-dione",CCCC[Sn]1(CCCC)OC(=O)CC(O)C(=O)O[Sn](CCCC)(CCCC)O1,CCCC[Sn]1(CCCC)OC(=O)CC(O)C(=O)O[Sn](CCCC)(CCCC)O1,"InChI=1/C4H6O5.4C4H9.O.2Sn/c5-2(4(8)9)1-3(6)7;4*1-3-4-2;;;/h2,5H,1H2,(H,6,7)(H,8,9);4*1,3-4H2,2H3;;;/q;;;;;;2*+1/p-2/rC20H40O6Sn2/c1-5-9-13-27(14-10-6-2)24-19(22)17-18(21)20(23)25-28(26-27,15-11-7-3)16-12-8-4/h18,21H,5-17H2,1-4H3",C20H40O6Sn2,,,,,,MYSOUECRFAEIOD-UHFFFAOYSA-L,,,,,,,,,,,
100.080.228,288-280-2,85702-88-1,Bis[(2-hexyl-1-oxodecyl)oxy]dioctylstannane,bis[(2-hexyldecanoyl)oxy](dioctyl)stannane,CCCCCCCCC(CCCCCC)C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC,CCCCCCCCC(CCCCCC)C(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC,"InChI=1/2C16H32O2.2C8H17.Sn/c2*1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2;2*1-3-5-7-8-6-4-2;/h2*15H,3-14H2,1-2H3,(H,17,18);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC48H96O4Sn/c1-7-13-19-25-29-35-41-45(39-33-23-17-11-5)47(49)51-53(43-37-31-27-21-15-9-3,44-38-32-28-22-16-10-4)52-48(50)46(40-34-24-18-12-6)42-36-30-26-20-14-8-2/h45-46H,7-44H2,1-6H3",C48H96O4Sn,,,,,,KUJLHDKUJMUNHK-UHFFFAOYSA-L,,,,,,,,,,,
100.083.095,291-438-3,90411-62-4,"Hexanoic acid, 2-ethyl-, cadmium salt, basic",-,[Cd+2].CCCCC(CC)C(=O)[O-],[Cd+2].CCCCC(CC)C(=O)[O-],"InChI=1/C8H16O2.Cd/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-1",-,,,,,,LZHIWSZAMYDIKT-UHFFFAOYSA-M,,,,,,,,,,,
100.080.000,288-030-2,85631-81-8,"Sodium 2-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-4-[[2-(sulphooxy)ethyl]sulphonyl]benzoate","sodium 2-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]-4-{[2-(sulfooxy)ethyl]sulfonyl}benzoate",[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cc(ccc4C(=O)[O-])S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O,[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cc(ccc4C(=O)[O-])S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O,"InChI=1/C23H18N2O13S3.Na/c24-20-17(40(32,33)34)10-16(18-19(20)22(27)13-4-2-1-3-12(13)21(18)26)25-15-9-11(5-6-14(15)23(28)29)39(30,31)8-7-38-41(35,36)37;/h1-6,9-10,25H,7-8,24H2,(H,28,29)(H,32,33,34)(H,35,36,37);/q;+1/p-1",C23H18N2O13S3.xNa,,,,,,WGMYTAYCFFXTRW-UHFFFAOYSA-M,,,,,,,,,,,
100.080.003,288-033-9,85631-84-1,"Disodium 4-[[2,4-dihydroxy-5-[[3-methyl-4-[(2-methyl-5-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]naphthalene-1-sulphonate","disodium 4-{[2,4-dihydroxy-5-({3-methyl-4-[(2-methyl-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}naphthalene-1-sulfonate",[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2cc(C)c(N=Nc1cc(ccc1C)S([O-])(=O)=O)cc2)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O,[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2cc(C)c(N=Nc1cc(ccc1C)S([O-])(=O)=O)cc2)N=Nc5ccc(c4ccccc45)S([O-])(=O)=O,"InChI=1/C30H24N6O8S2.2Na/c1-17-7-9-20(45(39,40)41)14-25(17)34-32-23-10-8-19(13-18(23)2)31-35-26-15-27(29(38)16-28(26)37)36-33-24-11-12-30(46(42,43)44)22-6-4-3-5-21(22)24;;/h3-16,37-38H,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C30H24N6O8S2.2Na,,,,,,GFPVMBUNOPQPPV-UHFFFAOYSA-L,,,,,,,,,,,
100.080.004,288-034-4,85631-85-2,"Disodium 2-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulphonatophenyl)azo]phenyl]azo]-5-nitrobenzenesulphonate","disodium 2-({2,4-dihydroxy-3-[(4-nitrophenyl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-5-nitrobenzenesulfonate",[Na+].[Na+].Oc3c(cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c3N=Nc2ccc(cc2)[N+]([O-])=O)N=Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O,[Na+].[Na+].Oc3c(cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c3N=Nc2ccc(cc2)[N+]([O-])=O)N=Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C24H16N8O12S2.2Na/c33-23-19(28-25-14-3-8-17(9-4-14)45(39,40)41)12-20(24(34)22(23)30-26-13-1-5-15(6-2-13)31(35)36)29-27-18-10-7-16(32(37)38)11-21(18)46(42,43)44;;/h1-12,33-34H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C24H16N8O12S2.2Na,,,,,,RJFYJGUYXAAQGJ-UHFFFAOYSA-L,,,,,,,,,,,
100.085.279,293-843-0,91615-22-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl acrylate",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C20H7F31O2/c1-2-5(52)53-4-3-6(21,22)8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)17(42,43)15(38,39)13(34,35)11(30,31)9(26,27)7(23,19(46,47)48)20(49,50)51/h2H,1,3-4H2",C20H7F31O2,,,,,,VCEPSAITQNAZCU-UHFFFAOYSA-N,,,,,,,,,,,
100.085.281,293-845-1,91626-39-0,3-(2-carboxyethyl)benzothiazolium bromide,"3-(2-carboxyethyl)-1,3-benzothiazol-3-ium bromide",[Br-].OC(=O)CC[n+]1csc2ccccc12,[Br-].OC(=O)CC[n+]1csc2ccccc12,"InChI=1/C10H9NO2S.BrH/c12-10(13)5-6-11-7-14-9-4-2-1-3-8(9)11;/h1-4,7H,5-6H2;1H",C10H10NO2S.Br,,,,,,VWUPNRBJTZOTOB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.459,288-536-3,85750-11-4,"2-[[3-[2,4-dihydro-4-[(4-methoxy-2-nitrophenyl)azo]-5-methyl-3-oxo-3H-pyrazol-2-yl]-4-methoxyphenyl]sulphonyl]ethyl acetate","2-[(4-methoxy-3-{4-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl acetate",CC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccc(OC)cc2[N+]([O-])=O)C3=O,CC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccc(OC)cc2[N+]([O-])=O)C3=O,"InChI=1/C22H23N5O9S/c1-13-21(24-23-17-7-5-15(34-3)11-18(17)27(30)31)22(29)26(25-13)19-12-16(6-8-20(19)35-4)37(32,33)10-9-36-14(2)28/h5-8,11-12,21H,9-10H2,1-4H3",C22H23N5O9S,,,,,,MXAMPEDYDQZTRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.468,288-546-8,85750-20-5,3-hydroxy-4-[[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulphonyl]phenyl]azo]-N-(4-methoxyphenyl)naphthalene-2-carboxamide,2-{[3-({2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)-4-methoxyphenyl]sulfonyl}ethyl propionate,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(OC)cc1)c2O)S(=O)(=O)CCOC(=O)CC,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(OC)cc1)c2O)S(=O)(=O)CCOC(=O)CC,"InChI=1/C30H29N3O8S/c1-4-27(34)41-15-16-42(37,38)22-13-14-26(40-3)25(18-22)32-33-28-23-8-6-5-7-19(23)17-24(29(28)35)30(36)31-20-9-11-21(39-2)12-10-20/h5-14,17-18,35H,4,15-16H2,1-3H3,(H,31,36)",C30H29N3O8S,,,,,,WSAZRHZGNKCUKR-UHFFFAOYSA-N,,,,,,,,,,,
100.080.470,288-548-9,85750-22-7,"Tetrasodium 4-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(1-sulphonato-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]salicylate","tetrasodium 4-{[4-chloro-6-({8-hydroxy-3,6-disulfonato-7-[(1-sulfonato-2-naphthyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}-2-hydroxybenzoate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(C([O-])=O)c(O)c5)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(C([O-])=O)c(O)c5)n6,"InChI=1/C30H20ClN7O13S3.4Na/c31-28-34-29(32-15-6-7-18(27(41)42)21(39)11-15)36-30(35-28)33-20-12-16(52(43,44)45)9-14-10-22(53(46,47)48)24(25(40)23(14)20)38-37-19-8-5-13-3-1-2-4-17(13)26(19)54(49,50)51;;;;/h1-12,39-40H,(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,32,33,34,35,36);;;;/q;4*+1/p-4",C30H20ClN7O13S3.4Na,,,,,,XZHMDYGLVMDQCJ-UHFFFAOYSA-J,,,,,,,,,,,
100.080.472,288-551-5,85750-24-9,a-(4-bromophenyl)pyridine-2-acetonitrile,(4-bromophenyl)(pyridin-2-yl)acetonitrile,Brc1ccc(cc1)C(C#N)c2ccccn2,Brc1ccc(cc1)C(C#N)c2ccccn2,"InChI=1/C13H9BrN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h1-8,12H",C13H9BrN2,,,,,,PMKCUNAECONNCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.480,288-559-9,85750-32-9,5-methoxy-4-(morpholin-4-yl)-2-[(p-tolyl)thio]benzenediazonium tetrafluoroborate,5-methoxy-2-[(4-methylphenyl)sulfanyl]-4-morpholin-4-ylbenzenediazonium tetrafluoroborate,COc1cc([N+]#N)c(Sc2ccc(C)cc2)cc1N3CCOCC3.F[B-](F)(F)F,COc1cc([N+]#N)c(Sc2ccc(C)cc2)cc1N3CCOCC3.F[B-](F)(F)F,"InChI=1/C18H20N3O2S.BF4/c1-13-3-5-14(6-4-13)24-18-12-16(21-7-9-23-10-8-21)17(22-2)11-15(18)20-19;2-1(3,4)5/h3-6,11-12H,7-10H2,1-2H3;/q+1;-1",C18H20N3O2S.BF4,,,,,,VOIGUAXCQHBXKC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.492,288-573-5,85761-30-4,"3,7,11,15-tetramethylhexadecan-3-ol","3,7,11,15-tetramethylhexadecan-3-ol",CCC(C)(O)CCCC(C)CCCC(C)CCCC(C)C,CCC(C)(O)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1/C20H42O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h17-19,21H,7-16H2,1-6H3",C20H42O,,,,,,CVPIIXFZNPKANT-UHFFFAOYSA-N,,,,,,,,,,,
100.079.771,287-778-7,85578-64-9,Ditetradecylbenzene,"1,2-ditetradecylbenzene",CCCCCCCCCCCCCCc1ccccc1CCCCCCCCCCCCCC,CCCCCCCCCCCCCCc1ccccc1CCCCCCCCCCCCCC,"InChI=1/C34H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-31-27-28-32-34(33)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28,31-32H,3-26,29-30H2,1-2H3",C34H62,,,,,,URDDUZADOOBXOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.772,287-779-2,85578-65-0,Dipentadecylbenzene,"1,2-dipentadecylbenzene",CCCCCCCCCCCCCCCc1ccccc1CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCc1ccccc1CCCCCCCCCCCCCCC,"InChI=1/C36H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-33-29-30-34-36(35)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28,31-32H2,1-2H3",C36H66,,,,,,BZKDJNHPAAEOKS-UHFFFAOYSA-N,,,,,,,,,,,
100.068.978,275-899-8,71720-50-8,5-methoxy-2-nitrosulphanilic acid,4-amino-5-methoxy-2-nitrobenzenesulfonic acid,COc1cc(c(cc1N)[N+](=O)[O-])S(=O)(=O)O,COc1cc(c(cc1N)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H8N2O6S/c1-15-6-3-7(16(12,13)14)5(9(10)11)2-4(6)8/h2-3H,8H2,1H3,(H,12,13,14)",C7H8N2O6S,,,,,,TVPOUNICERMHNR-UHFFFAOYSA-N,,,,,,,,,,,
100.068.980,275-901-7,71720-52-0,1-methoxyindan-2-ol,1-methoxyindan-2-ol,COC1C(O)Cc2ccccc12,COC1C(O)Cc2ccccc12,"InChI=1/C10H12O2/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-11H,6H2,1H3",C10H12O2,,,,,,ZHWPZRVYPHGXSF-UHFFFAOYSA-N,,,,,,,,,,,
100.068.981,275-902-2,71720-53-1,6-ethoxy-N-methylbenzothiazol-2-amine,"6-ethoxy-N-methyl-1,3-benzothiazol-2-amine",CCOc1ccc2nc(NC)sc2c1,CCOc1ccc2nc(NC)sc2c1,"InChI=1/C10H12N2OS/c1-3-13-7-4-5-8-9(6-7)14-10(11-2)12-8/h4-6H,3H2,1-2H3,(H,11,12)",C10H12N2OS,,,,,,QWYAAGWZTKAZFC-UHFFFAOYSA-N,,,,,,,,,,,
100.068.994,275-916-9,71720-89-3,"Disodium 5-[[4-(4-cyclohexylphenoxy)-2-sulphonatophenyl]azo]-6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulphonate","disodium 5-{[4-(4-cyclohexylphenoxy)-2-sulfonatophenyl]diazenyl}-6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(Nc2c(C)cccc2C)c6N=Nc3ccc(cc3S([O-])(=O)=O)Oc4ccc(cc4)C5CCCCC5,[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(Nc2c(C)cccc2C)c6N=Nc3ccc(cc3S([O-])(=O)=O)Oc4ccc(cc4)C5CCCCC5,"InChI=1/C36H35N3O8S2.2Na/c1-22-7-6-8-23(2)35(22)37-31-17-13-26-19-29(48(41,42)43)21-32(40)34(26)36(31)39-38-30-18-16-28(20-33(30)49(44,45)46)47-27-14-11-25(12-15-27)24-9-4-3-5-10-24;;/h6-8,11-21,24,37,40H,3-5,9-10H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C36H35N3O8S2.2Na,,,,,,XQPWJIOSRBTCEC-UHFFFAOYSA-L,,,,,,,,,,,
100.068.996,275-919-5,71720-92-8,"Trisodium 7-[[4-[(2,6-dichloro-4-pyrimidinyl)amino]phenyl]azo]naphthalene-1,3,5-trisulphonate","trisodium 7-({4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl}diazenyl)naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)cc(Cl)n4,[Na+].[Na+].[Na+].Clc4nc(Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)cc(Cl)n4,"InChI=1/C20H13Cl2N5O9S3.3Na/c21-18-9-19(25-20(22)24-18)23-10-1-3-11(4-2-10)26-27-12-5-14-15(16(6-12)38(31,32)33)7-13(37(28,29)30)8-17(14)39(34,35)36;;;/h1-9H,(H,23,24,25)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3",C20H13Cl2N5O9S3.3Na,,,,,,PXMNLPKAEVUAHS-UHFFFAOYSA-K,,,,,,,,,,,
100.062.247,268-492-1,68109-81-9,Benzyl[2-hydroxy-3-[(8-methylnonyl)oxy]propyl]dimethylammonium chloride,"N-benzyl-2-hydroxy-N,N-dimethyl-3-[(8-methylnonyl)oxy]propan-1-aminium chloride",[Cl-].CC(C)CCCCCCCOCC(O)C[N+](C)(C)Cc1ccccc1,[Cl-].CC(C)CCCCCCCOCC(O)C[N+](C)(C)Cc1ccccc1,"InChI=1/C22H40NO2.ClH/c1-20(2)13-9-6-5-7-12-16-25-19-22(24)18-23(3,4)17-21-14-10-8-11-15-21;/h8,10-11,14-15,20,22,24H,5-7,9,12-13,16-19H2,1-4H3;1H/q+1;/p-1",C22H40NO2.Cl,,,,,,JWJDTKUEHDMIDR-UHFFFAOYSA-M,,,,,,,,,,,
100.068.115,274-950-1,70865-20-2,Sodium 4-[[4-[(4-hydroxy-2-methylphenyl)azo]phenyl]amino]-3-nitrobenzenesulphonate,sodium 4-({4-[(4-hydroxy-2-methylphenyl)diazenyl]phenyl}amino)-3-nitrobenzenesulfonate,[Na+].Oc3cc(C)c(N=Nc2ccc(Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)cc2)cc3,[Na+].Oc3cc(C)c(N=Nc2ccc(Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)cc2)cc3,"InChI=1/C19H16N4O6S.Na/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26;/h2-11,20,24H,1H3,(H,27,28,29);/q;+1/p-1",C19H16N4O6S.Na,,,,,,JXRBVOFBCVPZOV-UHFFFAOYSA-M,,,,,,,,,,,
100.068.118,274-953-8,70865-26-8,"Trisodium 7-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-[{4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C27H22ClN7O11S3.3Na/c1-35(27-31-25(28)30-26(32-27)29-15-4-3-5-18(12-15)47(37,38)39)16-6-8-19-14(10-16)11-22(49(43,44)45)23(24(19)36)34-33-20-9-7-17(46-2)13-21(20)48(40,41)42;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",C27H22ClN7O11S3.3Na,,,,,,MAFFMZVKVBQLTR-UHFFFAOYSA-K,,,,,,,,,,,
100.068.120,274-955-9,70865-28-0,"Disodium hydrogen 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","disodium hydrogen 4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4ccc(N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(c4)S([O-])(=O)=O,[H+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4ccc(N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(c4)S([O-])(=O)=O,"InChI=1/C19H12Cl2N8O9S2.2Na.H2/c20-17-23-18(21)25-19(24-17)22-8-1-6-11(12(7-8)40(36,37)38)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;1H/q;3*+1/p-3",C19H12Cl2N8O9S2.2Na,,,,,,XXKGFGPRHOVYBA-UHFFFAOYSA-L,,,,,,,,,,,
100.068.122,274-958-5,70865-30-4,Sodium 6-amino-5-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-({2-[ethyl(phenyl)sulfamoyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,[Na+].CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,"InChI=1/C24H22N4O6S2.Na/c1-2-28(17-8-4-3-5-9-17)35(30,31)22-11-7-6-10-20(22)26-27-24-19(25)13-12-16-14-18(36(32,33)34)15-21(29)23(16)24;/h3-15,29H,2,25H2,1H3,(H,32,33,34);/q;+1/p-1",C24H22N4O6S2.Na,,,,,,CKTWUZVWKLISAA-UHFFFAOYSA-M,,,,,,,,,,,
100.069.627,276-613-4,72379-35-2,"Hydrogen triiodomercurate(1-), compound with 3-methyl-3H-benzothiazol-2-imine (1:1)","hydrogen triiodomercurate(1-) 3-methyl-1,3-benzothiazol-2(3H)-imine (1:1)",[H+].I[Hg-](I)I.CN1c2ccccc2SC1=N,[H+].I[Hg-](I)I.CN1c2ccccc2SC1=N,"InChI=1/C8H8N2S.Hg.3HI.H2/c1-10-6-4-2-3-5-7(6)11-8(10)9;;;;;/h2-5,9H,1H3;;4*1H/q;+2;;;;+1/p-3/rC8H8N2S.HgI3.H2/c1-10-6-4-2-3-5-7(6)11-8(10)9;2-1(3)4;/h2-5,9H,1H3;;1H/q;-1;+1",C8H8N2S.H.HgI3,,,,,,DAGHDWDMORDSON-UHFFFAOYSA-L,,,,,,,,,,,
100.069.628,276-615-5,72379-36-3,"Bis[5-[[4-[benzylethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate","bis[5-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium] tetrachlorozincate(2-)",CN3/C=N\\[NH+](C)C3N=Nc1ccc(cc1)N(Cc2ccccc2)CC.Cl[Zn-2](Cl)(Cl)Cl.CCN(Cc1ccccc1)c2ccc(cc2)N=NC3[NH+](C)\\N=C/N3C,CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(Cc2ccccc2)CC.Cl[Zn-2](Cl)(Cl)Cl.CCN(Cc1ccccc1)c2ccc(cc2)N=NC3[NH+](C)\N=C/N3C,"InChI=1/2C19H24N6.4ClH.Zn/c2*1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3;;;;;/h2*5-13,15,19H,4,14H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C19H24N6.Cl4Zn/c2*1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3;1-5(2,3)4/h2*5-13,15,19H,4,14H2,1-3H3;/q;;-2/p+2",C19H23N6.1/2Cl4Zn,,,,,,IFVPPQRFGYEUHR-UHFFFAOYSA-L,,,,,,,,,,,
100.069.641,276-629-1,72389-80-1,"6'-(diethylamino)-2'-[(dimethylphenyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-2'-[(2,3-dimethylphenyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3cc(C)c(Nc4cccc(C)c4C)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3cc(C)c(Nc4cccc(C)c4C)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C33H32N2O3/c1-6-35(7-2)23-15-16-26-31(18-23)37-30-17-21(4)29(34-28-14-10-11-20(3)22(28)5)19-27(30)33(26)25-13-9-8-12-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3",C33H32N2O3,,,,,,ONMXOWSAZNYHGE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.999,275-922-1,71726-31-3,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-(vinyloxy)nonane","1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-(vinyloxy)nonane",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC=C,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC=C,"InChI=1/C11H6F16O/c1-2-28-3-5(14,15)7(18,19)9(22,23)11(26,27)10(24,25)8(20,21)6(16,17)4(12)13/h2,4H,1,3H2",C11H6F16O,,,,,,PLZIKMVNRWVJKM-UHFFFAOYSA-N,,,,,,,,,,,
100.062.017,268-239-5,68039-20-3,Sodium 3-pyridylpropylsulphonate,sodium 3-pyridin-2-ylpropane-1-sulfonate,[Na+].[O-]S(=O)(=O)CCCc1ccccn1,[Na+].[O-]S(=O)(=O)CCCc1ccccn1,"InChI=1/C8H11NO3S.Na/c10-13(11,12)7-3-5-8-4-1-2-6-9-8;/h1-2,4,6H,3,5,7H2,(H,10,11,12);/q;+1/p-1",C8H11NO3S.Na,,,,,,UHMHHZVZTQTRBR-UHFFFAOYSA-M,,,,,,,,,,,
100.062.018,268-240-0,68039-21-4,N-[3-[(12-aminododecyl)amino]propyl]-6-[(1-oxohexyl)amino]hexanamide,N-{3-[(12-aminododecyl)amino]propyl}-6-(hexanoylamino)hexanamide,CCCCCC(=O)NCCCCCC(=O)NCCCNCCCCCCCCCCCCN,CCCCCC(=O)NCCCCCC(=O)NCCCNCCCCCCCCCCCCN,"InChI=1/C27H56N4O2/c1-2-3-13-19-26(32)30-24-17-12-14-20-27(33)31-25-18-23-29-22-16-11-9-7-5-4-6-8-10-15-21-28/h29H,2-25,28H2,1H3,(H,30,32)(H,31,33)",C27H56N4O2,,,,,,RYRBLABDYLACMW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.024,268-246-3,68039-28-1,"Ethyl 2,2,4-trichlorononan-1-oate","ethyl 2,2,4-trichlorononanoate",CCCCCC(Cl)CC(Cl)(Cl)C(=O)OCC,CCCCCC(Cl)CC(Cl)(Cl)C(=O)OCC,"InChI=1/C11H19Cl3O2/c1-3-5-6-7-9(12)8-11(13,14)10(15)16-4-2/h9H,3-8H2,1-2H3",C11H19Cl3O2,,,,,,JPICAFMHFSTXNT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.026,268-248-4,68039-30-5,"3,3-dichlorodihydro-5-pentylfuran-2(3H)-one","3,3-dichloro-5-pentyldihydrofuran-2(3H)-one",CCCCCC1CC(Cl)(Cl)C(=O)O1,CCCCCC1CC(Cl)(Cl)C(=O)O1,"InChI=1/C9H14Cl2O2/c1-2-3-4-5-7-6-9(10,11)8(12)13-7/h7H,2-6H2,1H3",C9H14Cl2O2,,,,,,CWLQYNYPWWUCTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.062.030,268-253-1,68039-35-0,"1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one",1-cedr-8-en-9-ylethanone,CC1CCC2C(C)(C)C3CC12CC(=C3C)C(=O)C,CC1CCC2C(C)(C)C3CC12CC(=C3C)C(=O)C,"InChI=1/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3",C17H26O,,,,,,YBUIAJZFOGJGLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.648,276-637-5,72395-46-1,"N,N-diethyl-1H-indole-1-ethylamine","N,N-diethyl-2-(1H-indol-1-yl)ethanamine",CCN(CC)CCn1ccc2ccccc12,CCN(CC)CCn1ccc2ccccc12,"InChI=1/C14H20N2/c1-3-15(4-2)11-12-16-10-9-13-7-5-6-8-14(13)16/h5-10H,3-4,11-12H2,1-2H3",C14H20N2,,,,,,WIQQTANXCCVPOY-UHFFFAOYSA-N,,,,,,,,,,,
100.069.677,276-668-4,72459-58-6,"7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide","7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide",[O-][n+]1nc(nc2ccc(Cl)cc12)n3ccnc3,[O-][n+]1nc(nc2ccc(Cl)cc12)n3ccnc3,InChI=1/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H,C10H6ClN5O,,,,,,IQGKIPDJXCAMSM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.010,288-041-2,85631-91-0,"Trisodium 4,5-dihydro-4-[[4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-2-sulphonatophenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium 4-{[4-(6-methyl-2,6'-bi-1,3-benzothiazol-2'-yl)-2-sulfonatophenyl]diazenyl}-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N7/N=C(/C([O-])=O)C(N=Nc2ccc(cc2S([O-])(=O)=O)c3nc4ccc(cc4s3)c5nc6ccc(C)cc6s5)C7=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N7/N=C(/C([O-])=O)C(N=Nc2ccc(cc2S([O-])(=O)=O)c3nc4ccc(cc4s3)c5nc6ccc(C)cc6s5)C7=O,"InChI=1/C31H20N6O9S4.3Na/c1-15-2-9-20-23(12-15)47-28(32-20)16-3-10-21-24(13-16)48-29(33-21)17-4-11-22(25(14-17)50(44,45)46)34-35-26-27(31(39)40)36-37(30(26)38)18-5-7-19(8-6-18)49(41,42)43;;;/h2-14,26H,1H3,(H,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3",C31H20N6O9S4.3Na,,,,,,HRLVKRDNPLVQQM-UHFFFAOYSA-K,,,,,,,,,,,
100.080.026,288-059-0,85650-51-7,Ethyl 2-[3-(hexyloxy)-2-hydroxypropoxy]benzoate,ethyl 2-[3-(hexyloxy)-2-hydroxypropoxy]benzoate,CCCCCCOCC(O)COc1ccccc1C(=O)OCC,CCCCCCOCC(O)COc1ccccc1C(=O)OCC,"InChI=1/C18H28O5/c1-3-5-6-9-12-21-13-15(19)14-23-17-11-8-7-10-16(17)18(20)22-4-2/h7-8,10-11,15,19H,3-6,9,12-14H2,1-2H3",C18H28O5,,,,,,DRTODOJMOBSZCA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.029,288-062-7,85650-54-0,"trans-1,2,3,4,4a,13b-hexahydro-2-methyldibenzo[2,3:6,7]thiepino[4,5-c]pyridinium maleate","bis(2-methyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-c]pyridin-2-ium) but-2-enedioate",C[NH+]1CC[C@H]2[C@H](C1)c3ccccc3Sc4ccccc24.C[NH+]5CC[C@H]6[C@H](C5)c7ccccc7Sc8ccccc68.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+]1CC[C@H]2[C@H](C1)c3ccccc3Sc4ccccc24.C[NH+]5CC[C@H]6[C@H](C5)c7ccccc7Sc8ccccc68.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/2C18H19NS.C4H4O4/c2*1-19-11-10-13-14-6-2-4-8-17(14)20-18-9-5-3-7-15(18)16(13)12-19;5-3(6)1-2-4(7)8/h2*2-9,13,16H,10-12H2,1H3;1-2H,(H,5,6)(H,7,8)",C18H19NS.C4H4O4,,,,,,FORHMUYPKFKWBA-OAJMJHGRSA-N,,,,,,,,,,,
100.080.033,288-066-9,85650-58-4,"6,7,8,9-tetrahydro-3,7-dimethyl-5H-dibenz[b,i][1,6]oxazecine","3,7-dimethyl-6,7,8,9-tetrahydro-5H-dibenzo[b,i][1,6]oxazecine",CN1CCc2ccccc2Oc3ccc(C)cc3CC1,CN1CCc2ccccc2Oc3ccc(C)cc3CC1,"InChI=1/C18H21NO/c1-14-7-8-18-16(13-14)10-12-19(2)11-9-15-5-3-4-6-17(15)20-18/h3-8,13H,9-12H2,1-2H3",C18H21NO,,,,,,GKYPSKJSFBIHKY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.044,288-078-4,85650-69-7,"Ethyl 17-hydroxy-11a-(mesyloxy)-16ß-methylpregna-1,4-diene-3,20-dione 21-carbonate",-,CCOC(=O)[O-].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](C[C@]2(C)[C@@]1(O)C(=O)C)OS(=O)(=O)C,CCOC(=O)[O-].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](C[C@]2(C)[C@@]1(O)C(=O)C)OS(=O)(=O)C,"InChI=1/C23H32O6S.C3H6O3/c1-13-10-18-17-7-6-15-11-16(25)8-9-21(15,3)20(17)19(29-30(5,27)28)12-22(18,4)23(13,26)14(2)24;1-2-6-3(4)5/h8-9,11,13,17-20,26H,6-7,10,12H2,1-5H3;2H2,1H3,(H,4,5)/p-1",C26H36O9S,,,,,,ASUNALPWIPEKHX-NKZFVOFPSA-M,,,,,,,,,,,
100.080.055,288-091-5,85650-81-3,(tert-butyl)dimethylnaphthalene,"1-tert-butyl-2,3-dimethylnaphthalene",Cc1cc2ccccc2c(c1C)C(C)(C)C,Cc1cc2ccccc2c(c1C)C(C)(C)C,"InChI=1/C16H20/c1-11-10-13-8-6-7-9-14(13)15(12(11)2)16(3,4)5/h6-10H,1-5H3",C16H20,,,,,,TWAJZWYKLODLDK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.056,288-092-0,85650-82-4,"Bis(1,1-dimethylethyl)methylnaphthalene","1-(1-tert-butyl-2,2-dimethylpropyl)naphthalene",CC(C)(C)C(c1cccc2ccccc12)C(C)(C)C,CC(C)(C)C(c1cccc2ccccc12)C(C)(C)C,"InChI=1/C19H26/c1-18(2,3)17(19(4,5)6)16-13-9-11-14-10-7-8-12-15(14)16/h7-13,17H,1-6H3",C19H26,,,,,,WJVYWXDAHBLJIM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.059,288-095-7,85650-85-7,sec-butyldimethylnaphthalene,"1-sec-butyl-2,3-dimethylnaphthalene",CCC(C)c1c(C)c(C)cc2ccccc12,CCC(C)c1c(C)c(C)cc2ccccc12,"InChI=1/C16H20/c1-5-11(2)16-13(4)12(3)10-14-8-6-7-9-15(14)16/h6-11H,5H2,1-4H3",C16H20,,,,,,VNOUAAFVSNSZBX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.061,288-097-8,85650-87-9,"Bis(1,1-dimethylethyl)dimethylnaphthalene","1,2-di-tert-butyl-3,4-dimethylnaphthalene",Cc1c(C)c2ccccc2c(c1C(C)(C)C)C(C)(C)C,Cc1c(C)c2ccccc2c(c1C(C)(C)C)C(C)(C)C,"InChI=1/C20H28/c1-13-14(2)17(19(3,4)5)18(20(6,7)8)16-12-10-9-11-15(13)16/h9-12H,1-8H3",C20H28,,,,,,OMLQMAOLMRPWAN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.067,288-103-9,85650-93-7,Methyl 5-cyclohexyl-3-methyl-5-oxopentene-1-oate,methyl 5-cyclohexyl-3-methyl-5-oxopent-2-enoate,O=C(CC(C)=CC(=O)OC)C1CCCCC1,O=C(CC(C)=CC(=O)OC)C1CCCCC1,"InChI=1/C13H20O3/c1-10(9-13(15)16-2)8-12(14)11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3",C13H20O3,,,,,,BICXXVISHWTVBS-UHFFFAOYSA-N,,,,,,,,,,,
100.083.616,292-013-5,90529-78-5,"Propanoic acid, cadmium salt, basic",-,[Cd+2].CCC(=O)[O-],[Cd+2].CCC(=O)[O-],"InChI=1/C3H6O2.Cd/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+2/p-1",-,,,,,,DRRIBOZECRVYIH-UHFFFAOYSA-M,,,,,,,,,,,
100.080.074,288-111-2,85661-28-5,"Bis[3-(allyloxy)-2,2-bis[(allyloxy)methyl]propyl] maleate","bis{3-(allyloxy)-2,2-bis[(allyloxy)methyl]propyl} but-2-enedioate",C=CCOCC(COCC=C)(COCC=C)COC(=O)\\C=C/C(=O)OCC(COCC=C)(COCC=C)COCC=C,C=CCOCC(COCC=C)(COCC=C)COC(=O)\C=C/C(=O)OCC(COCC=C)(COCC=C)COCC=C,"InChI=1/C32H48O10/c1-7-15-35-21-31(22-36-16-8-2,23-37-17-9-3)27-41-29(33)13-14-30(34)42-28-32(24-38-18-10-4,25-39-19-11-5)26-40-20-12-6/h7-14H,1-6,15-28H2",C32H48O10,,,,,,JTLFNSMMENANMV-YPKPFQOOSA-N,,,,,,,,,,,
100.089.299,298-276-2,93803-02-2,"N-(2-aminoethyl)-N,N'-didodecylethylenediamine","N-(2-aminoethyl)-N,N'-didodecylethane-1,2-diamine",CCCCCCCCCCCCNCCN(CCN)CCCCCCCCCCCC,CCCCCCCCCCCCNCCN(CCN)CCCCCCCCCCCC,"InChI=1/C28H61N3/c1-3-5-7-9-11-13-15-17-19-21-24-30-25-28-31(27-23-29)26-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3",C28H61N3,,,,,,USEFLVZSSJSALE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.301,298-278-3,93803-05-5,"Tetraammonium hydrogen 2-phosphonobutane-1,2,4-tricarboxylate",-,[NH4+].[NH4+].[NH4+].[NH4+].OP(=O)(O)C(CCC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[NH4+].[NH4+].[NH4+].[NH4+].OP(=O)(O)C(CCC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C7H11O9P.4H3N/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);4*1H3/p+1",C7H11O9P.4H3N,,,,,,OKYZCYSYTBASGO-UHFFFAOYSA-O,,,,,,,,,,,
100.089.303,298-280-4,93803-07-7,2-tetradecyloctadecyl 2-ethylhexanoate,2-tetradecyloctadecyl 2-ethylhexanoate,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)C(CC)CCCC,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)C(CC)CCCC,"InChI=1/C40H80O2/c1-5-9-12-14-16-18-20-22-23-25-27-29-31-33-35-38(37-42-40(41)39(8-4)36-11-7-3)34-32-30-28-26-24-21-19-17-15-13-10-6-2/h38-39H,5-37H2,1-4H3",C40H80O2,,,,,,BWCCPBBONIKWBI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.307,298-285-1,93803-15-7,(2-hydroxyethyl)bis[2-(stearoyloxy)ethyl]ammonium acetate,"2-hydroxy-N,N-bis[2-(stearoyloxy)ethyl]ethanaminium acetate",CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-],"InChI=1/C42H83NO5.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h44H,3-40H2,1-2H3;1H3,(H,3,4)",C42H83NO5.C2H4O2,,,,,,XAWGBLLKNFXIEI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.309,298-287-2,93803-18-0,Bis(2-hydroxyethyl)[2-(octadec-9-enoyloxy)ethyl]ammonium acetate,2-hydroxy-N-(2-hydroxyethyl)-N-[2-(oleoyloxy)ethyl]ethanaminium acetate,O=C(OCC[NH+](CCO)CCO)CCCCCCCC=CCCCCCCCC.[O-]C(C)=O,O=C(OCC[NH+](CCO)CCO)CCCCCCCC=CCCCCCCCC.[O-]C(C)=O,"InChI=1/C24H47NO4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27;1-2(3)4/h9-10,26-27H,2-8,11-23H2,1H3;1H3,(H,3,4)",C24H47NO4.C2H4O2,,,,,,JPBUGLVVKDRPHS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.312,298-290-9,93803-21-5,L-ornithine sulphate,L-ornithine sulfate,NCCC[C@H](N)C(=O)O.OS(=O)(=O)O,NCCC[C@H](N)C(=O)O.OS(=O)(=O)O,"InChI=1/C5H12N2O2.H2O4S/c6-3-1-2-4(7)5(8)9;1-5(2,3)4/h4H,1-3,6-7H2,(H,8,9);(H2,1,2,3,4)",C5H12N2O2.H2O4S,,,,,,WFZXUCAVKMKCSA-WCCKRBBISA-N,,,,,,,,,,,
100.089.320,298-299-8,93803-29-3,4-formyl-1-(3-sulphonatopropyl)pyridinium,3-(4-formylpyridinium-1-yl)propane-1-sulfonate,[O-]S(=O)(=O)CCC[n+]1ccc(C=O)cc1,[O-]S(=O)(=O)CCC[n+]1ccc(C=O)cc1,"InChI=1/C9H11NO4S/c11-8-9-2-5-10(6-3-9)4-1-7-15(12,13)14/h2-3,5-6,8H,1,4,7H2",C9H11NO4S,,,,,,BIIFBKKINMHNLM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.321,298-300-1,93803-30-6,4-benzyl-1-ethylpiperidine,4-benzyl-1-ethylpiperidine,CCN1CCC(Cc2ccccc2)CC1,CCN1CCC(Cc2ccccc2)CC1,"InChI=1/C14H21N/c1-2-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3",C14H21N,,,,,,ZBKWFCQXPPFOLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.324,298-303-8,93803-33-9,Disodium 7-[[[6-[(2-chloroethyl)sulphonyl]bicyclo[2.2.1]hept-2-yl]carbonyl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 7-[({6-[(2-chloroethyl)sulfonyl]bicyclo[2.2.1]hept-2-yl}carbonyl)amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].O=S(=O)(CCCl)C2CC1CC(C2C1)C(=O)Nc4cc5cc(c(N=Nc3ccc(C)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].O=S(=O)(CCCl)C2CC1CC(C2C1)C(=O)Nc4cc5cc(c(N=Nc3ccc(C)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C27H28ClN3O10S3.2Na/c1-14-2-5-21(23(8-14)43(36,37)38)30-31-25-24(44(39,40)41)13-16-12-17(3-4-18(16)26(25)32)29-27(33)20-10-15-9-19(20)22(11-15)42(34,35)7-6-28;;/h2-5,8,12-13,15,19-20,22,32H,6-7,9-11H2,1H3,(H,29,33)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C27H28ClN3O10S3.2Na,,,,,,SPISUZQTXUPMAE-UHFFFAOYSA-L,,,,,,,,,,,
100.091.218,300-386-3,93939-95-8,Tetradecapotassium [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"tetradecapotassium [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.14K/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;;;;;;/q;14*+1/p-14",C15H44N5O21P7.14K,,,,,,QJICRJMBKZDZJX-UHFFFAOYSA-A,,,,,,,,,,,
100.079.837,287-850-8,85586-47-6,L-histidine mono[3-(1H-imidazol-4-yl)acrylate],3-(1H-imidazol-5-yl)acrylic acid - D-histidine (1:1),N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)\\C=C\\c2cnc[nH]2,N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)\C=C\c2cnc[nH]2,"InChI=1/C6H9N3O2.C6H6N2O2/c7-5(6(10)11)1-4-2-8-3-9-4;9-6(10)2-1-5-3-7-4-8-5/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1-4H,(H,7,8)(H,9,10)",C6H9N3O2.C6H6N2O2,,,,,,KJXYHPVSKYVDPW-OSRGESDQSA-N,,,,,,,,,,,
100.079.840,287-853-4,85586-50-1,"2-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenoxy]-1,3,2-dioxaphosphorinane-5,5-dimethanol","4-[1-(4-{[5,5-bis(hydroxymethyl)-1,3,2-dioxaphosphinan-2-yl]oxy}phenyl)-1-methylethyl]phenol",CC(C)(c1ccc(O)cc1)c2ccc(OP3OCC(CO)(CO)CO3)cc2,CC(C)(c1ccc(O)cc1)c2ccc(OP3OCC(CO)(CO)CO3)cc2,"InChI=1/C20H25O6P/c1-19(2,15-3-7-17(23)8-4-15)16-5-9-18(10-6-16)26-27-24-13-20(11-21,12-22)14-25-27/h3-10,21-23H,11-14H2,1-2H3",C20H25O6P,,,,,,WMGOCXMOIUWRFI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.846,287-860-2,85586-56-7,5-[(4-aminocyclohexyl)methyl]-2-methylcyclohexylamine,5-[(4-aminocyclohexyl)methyl]-2-methylcyclohexanamine,CC1CCC(CC2CCC(N)CC2)CC1N,CC1CCC(CC2CCC(N)CC2)CC1N,"InChI=1/C14H28N2/c1-10-2-3-12(9-14(10)16)8-11-4-6-13(15)7-5-11/h10-14H,2-9,15-16H2,1H3",C14H28N2,,,,,,JSAXUWVOLFGFJS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.295,288-354-4,85711-95-1,(Z)-hex-3-enyl undec-10-enoate,hex-3-en-1-yl undec-10-enoate,CC\\C=C/CCOC(=O)CCCCCCCCC=C,CC\C=C/CCOC(=O)CCCCCCCCC=C,"InChI=1/C17H30O2/c1-3-5-7-9-10-11-12-13-15-17(18)19-16-14-8-6-4-2/h3,6,8H,1,4-5,7,9-16H2,2H3",C17H30O2,,,,,,XCVDCWGZWKLBOB-VURMDHGXSA-N,,,,,,,,,,,
100.080.298,288-358-6,85711-99-5,Nitrilotripropylene tristearate,"octadecanoic acid - N,N-diprop-1-en-1-ylprop-1-en-1-amine (3:1)",CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.C\\C=C\\N(\\C=C\\C)\\C=C\\C,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.C\C=C\N(\C=C\C)\C=C\C,"InChI=1/3C18H36O2.C9H15N/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7-10(8-5-2)9-6-3/h3*2-17H2,1H3,(H,19,20);4-9H,1-3H3",C63H123NO6,,,,,,IJTIFPKIWYJFNP-ZPEILHQESA-N,,,,,,,,,,,
100.080.301,288-361-2,85712-03-4,"2,5,5-trimethylhexan-1-ol","2,5,5-trimethylhexan-1-ol",CC(CO)CCC(C)(C)C,CC(CO)CCC(C)(C)C,"InChI=1/C9H20O/c1-8(7-10)5-6-9(2,3)4/h8,10H,5-7H2,1-4H3",C9H20O,,,,,,XBNGABCTADSMHF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.304,288-364-9,85712-06-7,"4,5-dimethylheptan-1-ol","4,5-dimethylheptan-1-ol",CCC(C)C(C)CCCO,CCC(C)C(C)CCCO,"InChI=1/C9H20O/c1-4-8(2)9(3)6-5-7-10/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,BMDLBCTXXXEROC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.309,288-370-1,85712-11-4,Potassium p-benzylphenolate,potassium 4-benzylphenolate,[K+].[O-]c1ccc(Cc2ccccc2)cc1,[K+].[O-]c1ccc(Cc2ccccc2)cc1,"InChI=1/C13H12O.K/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9,14H,10H2;/q;+1/p-1",C13H12O.K,,,,,,LVWLHNMRKLARRE-UHFFFAOYSA-M,,,,,,,,,,,
100.080.314,288-375-9,85712-16-9,N-(2-aminoethyl)-9-octadecenamide,N-(2-aminoethyl)octadec-9-enamide,NCCNC(=O)CCCCCCCC=CCCCCCCCC,NCCNC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21/h9-10H,2-8,11-19,21H2,1H3,(H,22,23)",C20H40N2O,,,,,,NEAVWSTWAPWAPP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.315,288-376-4,85717-26-6,"(1S-endo)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate",CCCCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CCCCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3",C15H26O2,,,,,,ILUAVCBOWYHFAI-YWPYICTPSA-N,,,,,,,,,,,
100.080.320,288-382-7,85720-76-9,1-[(4-phenoxyphenyl)amino]anthraquinone,"1-[(4-phenoxyphenyl)amino]-9,10-anthraquinone",O=C1c2ccccc2C(=O)c3c(Nc4ccc(Oc5ccccc5)cc4)cccc13,O=C1c2ccccc2C(=O)c3c(Nc4ccc(Oc5ccccc5)cc4)cccc13,"InChI=1/C26H17NO3/c28-25-20-9-4-5-10-21(20)26(29)24-22(25)11-6-12-23(24)27-17-13-15-19(16-14-17)30-18-7-2-1-3-8-18/h1-16,27H",C26H17NO3,,,,,,KREWZPJDFAJBLV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.321,288-383-2,85720-77-0,1-[[4-(decyloxy)phenyl]amino]anthraquinone,"1-{[4-(decyloxy)phenyl]amino}-9,10-anthraquinone",CCCCCCCCCCOc1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1,CCCCCCCCCCOc1ccc(Nc2cccc3C(=O)c4ccccc4C(=O)c23)cc1,"InChI=1/C30H33NO3/c1-2-3-4-5-6-7-8-11-21-34-23-19-17-22(18-20-23)31-27-16-12-15-26-28(27)30(33)25-14-10-9-13-24(25)29(26)32/h9-10,12-20,31H,2-8,11,21H2,1H3",C30H33NO3,,,,,,RLTLYWLNLOBLMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.322,288-384-8,85720-78-1,"1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane","1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane",FC(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,FC(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C6H2F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/h1-2H",C6H2F12,,,,,,JTAGPVKELVRAHG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.324,288-386-9,85720-80-5,"1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2,2-pentafluoroethane","1,2-dichloro-1,1,2-trifluoro-2-(pentafluoroethoxy)ethane",FC(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl,FC(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl,"InChI=1/C4Cl2F8O/c5-1(7,8)2(6,9)15-4(13,14)3(10,11)12",C4Cl2F8O,,,,,,BIDNOABTEVPBDS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.334,288-397-9,85720-90-7,5-[(4-amino-5-methoxy-2-tolyl)azo]-3-sulphosalicylic acid,5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-hydroxy-3-sulfobenzoic acid,Nc1cc(C)c(cc1OC)N=Nc2cc(C(O)=O)c(O)c(c2)S(O)(=O)=O,Nc1cc(C)c(cc1OC)N=Nc2cc(C(O)=O)c(O)c(c2)S(O)(=O)=O,"InChI=1/C15H15N3O7S/c1-7-3-10(16)12(25-2)6-11(7)18-17-8-4-9(15(20)21)14(19)13(5-8)26(22,23)24/h3-6,19H,16H2,1-2H3,(H,20,21)(H,22,23,24)",C15H15N3O7S,,,,,,ZDLFHKYUFGJLLU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.113,288-154-7,85665-64-1,Tridecafluoro-N-(2-hydroxyethyl)-N-propylhexanesulphonamide,"N-(1-ethyl-3-hydroxypropyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide",CCC(CCO)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCC(CCO)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H12F13NO3S/c1-2-5(3-4-26)25-29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h5,25-26H,2-4H2,1H3",C11H12F13NO3S,,,,,,AIGLVVIUGQYLCN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.116,288-157-3,85665-67-4,[3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]trimethylammonium hydroxide,"3-{[(heptadecafluorooctyl)sulfonyl]amino}-N,N,N-trimethylpropan-1-aminium hydroxide",[OH-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[OH-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H16F17N2O2S.H2O/c1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;/h32H,4-6H2,1-3H3;1H2/q+1;/p-1",C14H16F17N2O2S.HO,,,,,,KBILFSVJKSICJV-UHFFFAOYSA-M,,,,,,,,,,,
100.080.118,288-159-4,85665-69-6,"Ethyl a-cyano-3,3-dimethylbicyclo[2.2.1]heptane-2-propionate","ethyl 2-cyano-3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propanoate",CCOC(=O)C(CC1C2CCC(C2)C1(C)C)C#N,CCOC(=O)C(CC1C2CCC(C2)C1(C)C)C#N,"InChI=1/C15H23NO2/c1-4-18-14(17)11(9-16)8-13-10-5-6-12(7-10)15(13,2)3/h10-13H,4-8H2,1-3H3",C15H23NO2,,,,,,OJLDHABDKCBYDV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.120,288-162-0,85665-71-0,"1,2-ethanediyl 3-methyl-2-butenoate","ethane-1,2-diyl bis(3-methylbut-2-enoate)",CC(=CC(=O)OCCOC(=O)C=C(C)C)C,CC(=CC(=O)OCCOC(=O)C=C(C)C)C,"InChI=1/C12H18O4/c1-9(2)7-11(13)15-5-6-16-12(14)8-10(3)4/h7-8H,5-6H2,1-4H3",C12H18O4,,,,,,KYKBPWWXHYEFPY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.123,288-165-7,85665-74-3,3-[(diethylamino)dimethylsilyl]propyl methacrylate,3-[(diethylamino)(dimethyl)silyl]propyl methacrylate,CCN(CC)[Si](C)(C)CCCOC(=O)C(=C)C,CCN(CC)[Si](C)(C)CCCOC(=O)C(=C)C,"InChI=1/C13H27NO2Si/c1-7-14(8-2)17(5,6)11-9-10-16-13(15)12(3)4/h3,7-11H2,1-2,4-6H3",C13H27NO2Si,,,,,,NCAKYDUZOGYDRH-UHFFFAOYSA-N,,,,,,,,,,,
100.079.878,287-895-3,85588-11-0,Calcium methylsilanetriolate(2:3),calcium methylsilanetriolate(2:3),[CaH2].[CaH2].C[Si]([O-])([O-])[O-].C[Si]([O-])([O-])[O-].C[Si]([O-])([O-])[O-],[CaH2].[CaH2].C[Si]([O-])([O-])[O-].C[Si]([O-])([O-])[O-].C[Si]([O-])([O-])[O-],"InChI=1/3CH3O3Si.2Ca.4H/c3*1-5(2,3)4;;;;;;/h3*1H3;;;;;;/q3*-3;2*+2;;;;/r3CH3O3Si.2CaH2/c3*1-5(2,3)4;;/h3*1H3;2*1H2/q3*-3;2*+2",CH6O3Si.3/2Ca,,,,,,ITIDHXGTBIJXMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.882,287-900-9,85604-87-1,2-[2-(dimethylamino)ethoxy]ethyl acetoacetate,2-[2-(dimethylamino)ethoxy]ethyl 3-oxobutanoate,CN(C)CCOCCOC(=O)CC(=O)C,CN(C)CCOCCOC(=O)CC(=O)C,"InChI=1/C10H19NO4/c1-9(12)8-10(13)15-7-6-14-5-4-11(2)3/h4-8H2,1-3H3",C10H19NO4,,,,,,GIJVAQNLTSPVGC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.884,287-903-5,85605-12-5,"Calcium 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate","calcium 2-chloro-5-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Ca+2].[O-]S(=O)(=O)c1cc(ccc1Cl)N=NC3C(\\C)=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O,[Ca+2].[O-]S(=O)(=O)c1cc(ccc1Cl)N=NC3C(\C)=N/N(c2cc(ccc2)S([O-])(=O)=O)C3=O,"InChI=1/C16H13ClN4O7S2.Ca/c1-9-15(19-18-10-5-6-13(17)14(7-10)30(26,27)28)16(22)21(20-9)11-3-2-4-12(8-11)29(23,24)25;/h2-8,15H,1H3,(H,23,24,25)(H,26,27,28);/q;+2/p-2",C16H13ClN4O7S2.Ca,,,,,,UBBVWJHXZPOXOJ-UHFFFAOYSA-L,,,,,,,,,,,
100.079.885,287-904-0,85605-16-9,"Calcium 5-acetamido-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate","calcium 5-acetamido-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Ca+2].CC(=O)Nc3ccc(N=NC2C(\\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O)c(c3)S([O-])(=O)=O,[Ca+2].CC(=O)Nc3ccc(N=NC2C(\C)=N/N(c1cc(ccc1)S([O-])(=O)=O)C2=O)c(c3)S([O-])(=O)=O,"InChI=1/C18H17N5O8S2.Ca/c1-10-17(18(25)23(22-10)13-4-3-5-14(9-13)32(26,27)28)21-20-15-7-6-12(19-11(2)24)8-16(15)33(29,30)31;/h3-9,17H,1-2H3,(H,19,24)(H,26,27,28)(H,29,30,31);/q;+2/p-2",C18H17N5O8S2.Ca,,,,,,KFDFGGGYYSTVFT-UHFFFAOYSA-L,,,,,,,,,,,
100.079.894,287-914-5,85614-29-5,Calcium bis[di(tert-butyl)naphthalenesulphonate],"calcium bis(2,3-di-tert-butylnaphthalene-1-sulfonate)",[Ca+2].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-].CC(C)(C)c3cc4ccccc4c(c3C(C)(C)C)S(=O)(=O)[O-],[Ca+2].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-].CC(C)(C)c3cc4ccccc4c(c3C(C)(C)C)S(=O)(=O)[O-],"InChI=1/2C18H24O3S.Ca/c2*1-17(2,3)14-11-12-9-7-8-10-13(12)16(22(19,20)21)15(14)18(4,5)6;/h2*7-11H,1-6H3,(H,19,20,21);/q;;+2/p-2",C18H24O3S.1/2Ca,,,,,,ZMZJSSHWIFTNKO-UHFFFAOYSA-L,,,,,,,,,,,
100.079.920,287-942-8,85621-43-8,"3,4-diacetoxyphenylacetic acid","(3,4-diacetoxyphenyl)acetic acid",CC(=O)Oc1ccc(CC(=O)O)cc1OC(=O)C,CC(=O)Oc1ccc(CC(=O)O)cc1OC(=O)C,"InChI=1/C12H12O6/c1-7(13)17-10-4-3-9(6-12(15)16)5-11(10)18-8(2)14/h3-5H,6H2,1-2H3,(H,15,16)",C12H12O6,,,,,,VYELVKLTNGETIC-UHFFFAOYSA-N,,,,,,,,,,,
100.085.260,293-822-6,91198-38-8,"2,2'-[sulphonylbis[(2,6-dichloro-4,1-phenylene)oxy]]bisethanol","2,2'-{sulfonylbis[(2,6-dichloro-4,1-phenylene)oxy]}diethanol",OCCOc1c(Cl)cc(cc1Cl)S(=O)(=O)c2cc(Cl)c(OCCO)c(Cl)c2,OCCOc1c(Cl)cc(cc1Cl)S(=O)(=O)c2cc(Cl)c(OCCO)c(Cl)c2,"InChI=1/C16H14Cl4O6S/c17-11-5-9(6-12(18)15(11)25-3-1-21)27(23,24)10-7-13(19)16(14(20)8-10)26-4-2-22/h5-8,21-22H,1-4H2",C16H14Cl4O6S,,,,,,WINCTAVQOYZBMR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.343,287-308-0,85480-29-1,"Phosphoric acid, hexyl ester, sodium salt",sodium hexyl hydrogen phosphate,[Na+].CCCCCCOP(=O)(O)[O-],[Na+].CCCCCCOP(=O)(O)[O-],"InChI=1/C6H15O4P.Na/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H2,7,8,9);/q;+1/p-1",-,,,,,,QDZFJQPFGZWVHR-UHFFFAOYSA-M,,,,,,,,,,,
100.091.222,300-391-0,93939-99-2,"Disodium 4-[[2,4-dihydroxy-5-[(2-hydroxy-4-nitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-({2,4-dihydroxy-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc(cc3)[N+]([O-])=O)N=Nc5ccc(cc5O)[N+]([O-])=O,[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc(cc3)[N+]([O-])=O)N=Nc5ccc(cc5O)[N+]([O-])=O,"InChI=1/C28H18N8O14S2.2Na/c37-23-9-16(36(43)44)5-6-19(23)30-32-21-12-22(28(40)26(27(21)39)34-29-14-1-3-15(4-2-14)35(41)42)33-31-20-10-17(51(45,46)47)7-13-8-18(52(48,49)50)11-24(38)25(13)20;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C28H18N8O14S2.2Na,,,,,,WAKNSBKOIZXFJC-UHFFFAOYSA-L,,,,,,,,,,,
100.091.224,300-393-1,93940-01-3,"Disodium 7-[[2,6-dihydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate","disodium 7-{[2,6-dihydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].Oc3c(ccc(O)c3N=Nc1cc2cc(cc(O)c2cc1)S([O-])(=O)=O)N=Nc5ccc(N=Nc4ccc(cc4)S([O-])(=O)=O)cc5,[Na+].[Na+].Oc3c(ccc(O)c3N=Nc1cc2cc(cc(O)c2cc1)S([O-])(=O)=O)N=Nc5ccc(N=Nc4ccc(cc4)S([O-])(=O)=O)cc5,"InChI=1/C28H20N6O9S2.2Na/c35-25-12-11-24(33-31-18-3-1-17(2-4-18)29-30-19-5-8-21(9-6-19)44(38,39)40)28(37)27(25)34-32-20-7-10-23-16(13-20)14-22(15-26(23)36)45(41,42)43;;/h1-15,35-37H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C28H20N6O9S2.2Na,,,,,,ALPDFEDXAZOZMV-UHFFFAOYSA-L,,,,,,,,,,,
100.091.232,300-401-3,93940-09-1,"1,1-dimethyl-3-oxobutyl methacrylate","1,1-dimethyl-3-oxobutyl methacrylate",CC(=O)CC(C)(C)OC(=O)C(=C)C,CC(=O)CC(C)(C)OC(=O)C(=C)C,"InChI=1/C10H16O3/c1-7(2)9(12)13-10(4,5)6-8(3)11/h1,6H2,2-5H3",C10H16O3,,,,,,JIPZQYMKXPLEKF-UHFFFAOYSA-N,,,,,,,,,,,
100.087.439,296-226-4,92350-26-0,Sodium 2-hydroxyhexane-1-sulphonate,sodium 2-hydroxyhexane-1-sulfonate,[Na+].CCCCC(O)CS(=O)(=O)[O-],[Na+].CCCCC(O)CS(=O)(=O)[O-],"InChI=1/C6H14O4S.Na/c1-2-3-4-6(7)5-11(8,9)10;/h6-7H,2-5H2,1H3,(H,8,9,10);/q;+1/p-1",C6H14O4S.Na,,,,,,NIRFIZPUVBNGDT-UHFFFAOYSA-M,,,,,,,,,,,
100.087.443,296-231-1,92372-05-9,"1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetoacetate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 3-oxobutanoate",CC(=O)CC(=O)OC1CC2CCC1(C)C2(C)C,CC(=O)CC(=O)OC1CC2CCC1(C)C2(C)C,"InChI=1/C14H22O3/c1-9(15)7-12(16)17-11-8-10-5-6-14(11,4)13(10,2)3/h10-11H,5-8H2,1-4H3",C14H22O3,,,,,,RGHAHCRVPZUAPH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.366,301-649-5,94023-51-5,"N,N'-bis(2-hydroxyethyl)thioperoxydicarbamic acid",dioxybis{[(2-hydroxyethyl)sulfanyl]carbamic acid},OCCSN(OON(SCCO)C(=O)O)C(=O)O,OCCSN(OON(SCCO)C(=O)O)C(=O)O,"InChI=1/C6H12N2O8S2/c9-1-3-17-7(5(11)12)15-16-8(6(13)14)18-4-2-10/h9-10H,1-4H2,(H,11,12)(H,13,14)",C6H12N2O2S4,,,,,,ZXIZFBQIFYXROP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.370,301-653-7,94023-55-9,"N-(2-carboxyethyl)-N-dodecyl-ß-alanine, compound with methylamine (1:1)","3,3'-(dodecylimino)dipropanoic acid - methanamine (1:1) (non-preferred name)",CN.CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O,CN.CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O,"InChI=1/C18H35NO4.CH5N/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;1-2/h2-16H2,1H3,(H,20,21)(H,22,23);2H2,1H3",C18H35NO4.CH5N,,,,,,UPOFMHQHTOKXBB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.326,298-305-9,93803-35-1,"Disodium 4-amino-3-[[4-[5-[(2,4-diaminophenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-[(4-{5-[(2,4-diaminophenyl)diazenyl]-1H-benzimidazol-2-yl}phenyl)diazenyl]-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(N)cc6N)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(N)cc6N)S([O-])(=O)=O,"InChI=1/C35H27N11O7S2.2Na/c36-20-8-12-25(24(37)16-20)44-43-23-11-13-26-27(17-23)40-35(39-26)18-6-9-22(10-7-18)42-45-32-28(54(48,49)50)14-19-15-29(55(51,52)53)33(34(47)30(19)31(32)38)46-41-21-4-2-1-3-5-21;;/h1-17,47H,36-38H2,(H,39,40)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C35H27N11O7S2.2Na,,,,,,UWPASOYQKUKDRA-UHFFFAOYSA-L,,,,,,,,,,,
100.089.330,298-310-6,93803-39-5,"Trisodium 4-[[8-amino-7-[[4'-[(2-amino-4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]benzoate","trisodium 4-{[8-amino-7-({4'-[(2-amino-4-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}benzoate",[Na+].[Na+].[Na+].Nc6cc(O)ccc6N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)C([O-])=O)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5,[Na+].[Na+].[Na+].Nc6cc(O)ccc6N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)C([O-])=O)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5,"InChI=1/C35H26N8O10S2.3Na/c36-26-17-25(44)13-14-27(26)41-38-22-7-1-18(2-8-22)19-3-9-23(10-4-19)39-42-32-28(54(48,49)50)15-21-16-29(55(51,52)53)33(34(45)30(21)31(32)37)43-40-24-11-5-20(6-12-24)35(46)47;;;/h1-17,44-45H,36-37H2,(H,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C35H26N8O10S2.3Na,,,,,,VTGAVUGTRRQTGC-UHFFFAOYSA-K,,,,,,,,,,,
100.089.337,298-317-4,93803-47-5,"Methyl N,N,N-trimethyl[(2-hydroxy[1,1'-biphenyl]-3-yl)methyl]ammonium sulphate","(2-hydroxybiphenyl-3-yl)-N,N,N-trimethylmethanaminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)Cc1cccc(c1O)c2ccccc2,COS(=O)(=O)[O-].C[N+](C)(C)Cc1cccc(c1O)c2ccccc2,"InChI=1/C16H19NO.CH4O4S/c1-17(2,3)12-14-10-7-11-15(16(14)18)13-8-5-4-6-9-13;1-5-6(2,3)4/h4-11H,12H2,1-3H3;1H3,(H,2,3,4)",C16H20NO.CH3O4S,,,,,,ZVFDXJIVZLOMMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.340,298-321-6,93803-50-0,"Dihydrofuran-2,3-dione 3-[(2-hydroxyphenyl)hydrazone]",3-[(2-hydroxyphenyl)hydrazono]dihydrofuran-2(3H)-one,Oc2ccccc2NN=C1CCOC1=O,Oc2ccccc2NN=C1CCOC1=O,"InChI=1/C10H10N2O3/c13-9-4-2-1-3-7(9)11-12-8-5-6-15-10(8)14/h1-4,11,13H,5-6H2",C10H10N2O3,,,,,,WPYRSYNJUGENCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.682,276-674-7,72470-82-7,3-chloro-4-dibutylaminobenzenediazonium tetrafluoroborate,3-chloro-4-(dibutylamino)benzenediazonium tetrafluoroborate,CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.F[B-](F)(F)F,CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.F[B-](F)(F)F,"InChI=1/C14H21ClN3.BF4/c1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;2-1(3,4)5/h7-8,11H,3-6,9-10H2,1-2H3;/q+1;-1",C14H21ClN3.BF4,,,,,,JOTMHHYUUQXHCF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.050,268-275-1,68039-68-9,2-cyclohexylvinyl 2-butenoate,2-cyclohexylvinyl but-2-enoate,CC=CC(=O)O\\C=C\\C1CCCCC1,CC=CC(=O)O\C=C\C1CCCCC1,"InChI=1/C12H18O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h2,6,9-11H,3-5,7-8H2,1H3",C12H18O2,,,,,,CXPCFXOZPWMTLS-DLNLCMSQSA-N,,,,,,,,,,,
100.062.051,268-276-7,68039-69-0,1-cyclohexylethyl 2-butenoate,1-cyclohexylethyl but-2-enoate,CC=CC(=O)OC(C)C1CCCCC1,CC=CC(=O)OC(C)C1CCCCC1,"InChI=1/C12H20O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h3,7,10-11H,4-6,8-9H2,1-2H3",C12H20O2,,,,,,ZNPGEERBEOWCEF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.056,268-281-4,68039-74-7,2-decenenitrile,dec-2-enenitrile,CCCCCCCC=CC#N,CCCCCCCC=CC#N,"InChI=1/C10H17N/c1-2-3-4-5-6-7-8-9-10-11/h8-9H,2-7H2,1H3",C10H17N,,,,,,ILRJSGCEAPKUQT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.058,268-284-0,68039-76-9,"2-(1,3,3-trimethylbutyl)allyl alcohol","3,5,5-trimethyl-2-methylenehexan-1-ol",CC(CC(C)(C)C)C(=C)CO,CC(CC(C)(C)C)C(=C)CO,"InChI=1/C10H20O/c1-8(9(2)7-11)6-10(3,4)5/h8,11H,2,6-7H2,1,3-5H3",C10H20O,,,,,,XSBHPGJXCJMNNT-UHFFFAOYSA-N,,,,,,,,,,,
100.062.059,268-285-6,68039-77-0,Nonenenitrile,non-2-enenitrile,CCCCCCC=CC#N,CCCCCCC=CC#N,"InChI=1/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3",C9H15N,,,,,,WOVJAWMZNOWDII-UHFFFAOYSA-N,,,,,,,,,,,
100.062.061,268-287-7,68039-79-2,"Methyl octahydro-4,7-methano-1H-indenecarboxylate","methyl octahydro-1H-4,7-methanoindene-1-carboxylate",COC(=O)C1CCC2C3CCC(C3)C12,COC(=O)C1CCC2C3CCC(C3)C12,"InChI=1/C12H18O2/c1-14-12(13)10-5-4-9-7-2-3-8(6-7)11(9)10/h7-11H,2-6H2,1H3",C12H18O2,,,,,,VFUFLBSJNLHZJW-UHFFFAOYSA-N,,,,,,,,,,,
100.062.064,268-290-3,68047-39-2,"2-(2-fluorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole","2-(2-fluorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole",Fc1ccccc1c2oc(nn2)c3cccc4ccccc34,Fc1ccccc1c2oc(nn2)c3cccc4ccccc34,InChI=1/C18H11FN2O/c19-16-11-4-3-9-15(16)18-21-20-17(22-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,C18H11FN2O,,,,,,BIJYQTIVHFUDLS-UHFFFAOYSA-N,,,,,,,,,,,
100.062.072,268-299-2,68052-06-2,"4-(diethylamino)-2,5-diethoxybenzenediazonium tetrafluoroborate","4-(diethylamino)-2,5-diethoxybenzenediazonium tetrafluoroborate",CCOc1cc(N(CC)CC)c(OCC)cc1[N+]#N.F[B-](F)(F)F,CCOc1cc(N(CC)CC)c(OCC)cc1[N+]#N.F[B-](F)(F)F,"InChI=1/C14H22N3O2.BF4/c1-5-17(6-2)12-10-13(18-7-3)11(16-15)9-14(12)19-8-4;2-1(3,4)5/h9-10H,5-8H2,1-4H3;/q+1;-1",C14H22N3O2.BF4,,,,,,QBHJWGNOOPKIRU-UHFFFAOYSA-N,,,,,,,,,,,
100.062.074,268-301-1,68052-08-4,"2,5-diethoxy-4-(1-pyrrolidinyl)aniline","2,5-diethoxy-4-pyrrolidin-1-ylaniline",CCOc1cc(N2CCCC2)c(OCC)cc1N,CCOc1cc(N2CCCC2)c(OCC)cc1N,"InChI=1/C14H22N2O2/c1-3-17-13-10-12(16-7-5-6-8-16)14(18-4-2)9-11(13)15/h9-10H,3-8,15H2,1-2H3",C14H22N2O2,,,,,,WFUPCNOZIBGAOF-UHFFFAOYSA-N,,,,,,,,,,,
100.062.081,268-309-5,68052-15-3,1-(2-ethoxy-5-methyl-4-nitrophenyl)pyrrolidine,1-(2-ethoxy-5-methyl-4-nitrophenyl)pyrrolidine,CCOc1cc(c(C)cc1N2CCCC2)[N+](=O)[O-],CCOc1cc(c(C)cc1N2CCCC2)[N+](=O)[O-],"InChI=1/C13H18N2O3/c1-3-18-13-9-11(15(16)17)10(2)8-12(13)14-6-4-5-7-14/h8-9H,3-7H2,1-2H3",C13H18N2O3,,,,,,HCYYDULELNWPEC-UHFFFAOYSA-N,,,,,,,,,,,
100.062.082,268-310-0,68052-17-5,"2,5-diethoxy-N-ethylbenzene-1,4-diamine","2,5-diethoxy-N-ethylbenzene-1,4-diamine",CCNc1cc(OCC)c(N)cc1OCC,CCNc1cc(OCC)c(N)cc1OCC,"InChI=1/C12H20N2O2/c1-4-14-10-8-11(15-5-2)9(13)7-12(10)16-6-3/h7-8,14H,4-6,13H2,1-3H3",C12H20N2O2,,,,,,BTOXMNSTGQCTIZ-UHFFFAOYSA-N,,,,,,,,,,,
100.069.709,276-703-3,72496-91-4,"Disodium 8-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-1H-naphth[1,2-d]imidazole-7-sulphonate","disodium 8-({5-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-1H-naphtho[1,2-d]imidazole-7-sulfonate",[Na+].[Na+].BrC(=C)C(=O)Nc5cc(N=Nc1c(O)c4c(cc1S([O-])(=O)=O)ccc3nc(C)n(Nc2ccccc2Cl)c34)c(cc5)S([O-])(=O)=O,[Na+].[Na+].BrC(=C)C(=O)Nc5cc(N=Nc1c(O)c4c(cc1S([O-])(=O)=O)ccc3nc(C)n(Nc2ccccc2Cl)c34)c(cc5)S([O-])(=O)=O,"InChI=1/C27H20BrClN6O8S2.2Na/c1-13(28)27(37)31-16-8-10-21(44(38,39)40)20(12-16)32-33-24-22(45(41,42)43)11-15-7-9-19-25(23(15)26(24)36)35(14(2)30-19)34-18-6-4-3-5-17(18)29;;/h3-12,34,36H,1H2,2H3,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C27H20BrClN6O8S2.2Na,,,,,,JTANQVPWCXDKLE-UHFFFAOYSA-L,,,,,,,,,,,
100.078.302,286-163-0,85187-75-3,"Sodium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-(4-phenyl-2H-1,2,3-triazol-2-yl)benzenesulfonate]",[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1\\C=C\\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6,[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6,"InChI=1/C30H22N6O6S2.2Na/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;;/h1-20H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C30H22N6O6S2.xNa,,,,,,TVMXXLUFDNBORP-YHPRVSEPSA-L,,,,,,,,,,,
100.079.856,287-871-2,85586-66-9,"Endo-(-)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methylpropanoate",CC(C)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,CC(C)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3",C14H24O2,,,,,,KRKIAJBQOUBNSE-MISXGVKJSA-N,,,,,,,,,,,
100.079.864,287-880-1,85586-74-9,"4,4'-[1,4-phenylenebis[methylene(ethylimino)]]bis[a,a-bis[4-(dimethylamino)phenyl]-o-xylene-a-ol]","{1,4-phenylenebis[methylene(ethylimino)(2-methyl-4,1-phenylene)]}bis{bis[4-(dimethylamino)phenyl]methanol}",CCN(Cc1ccc(CN(CC)c2ccc(c(C)c2)C(O)(c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C)cc1)c5ccc(c(C)c5)C(O)(c6ccc(cc6)N(C)C)c7ccc(cc7)N(C)C,CCN(Cc1ccc(CN(CC)c2ccc(c(C)c2)C(O)(c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C)cc1)c5ccc(c(C)c5)C(O)(c6ccc(cc6)N(C)C)c7ccc(cc7)N(C)C,"InChI=1/C60H72N6O2/c1-13-65(55-35-37-57(43(3)39-55)59(67,47-19-27-51(28-20-47)61(5)6)48-21-29-52(30-22-48)62(7)8)41-45-15-17-46(18-16-45)42-66(14-2)56-36-38-58(44(4)40-56)60(68,49-23-31-53(32-24-49)63(9)10)50-25-33-54(34-26-50)64(11)12/h15-40,67-68H,13-14,41-42H2,1-12H3",C60H72N6O2,,,,,,LWSZZANQSHFWJM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.869,287-885-9,85586-79-4,"Tetrasodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate","tetrasodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonato-1-naphthyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2cc(ccc23)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2cc(ccc23)S([O-])(=O)=O)c4cc(ccc45)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-21-6-7-23(19-11-14(52(40,41)42)1-4-17(19)21)37-36-22-8-9-24(20-12-15(53(43,44)45)2-5-18(20)22)38-39-25-13-16(54(46,47)48)3-10-26(25)55(49,50)51;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4",C29H20ClN9O12S4.4Na,,,,,,ADKNJTIHAWDJKQ-UHFFFAOYSA-J,,,,,,,,,,,
100.079.871,287-888-5,85586-82-9,"N,N'-(2,2-dimethylpropane-1,3-diyl)bis(docosanamide) monoacetate","N,N'-(2,2-dimethylpropane-1,3-diyl)didocosanamide acetate",CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)(C)CNC(=O)CCCCCCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)(C)CNC(=O)CCCCCCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C49H98N2O2.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-47(52)50-45-49(3,4)46-51-48(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h5-46H2,1-4H3,(H,50,52)(H,51,53);1H3,(H,3,4)",C49H98N2O2.C2H4O2,,,,,,CCVGDNGECFKWIG-UHFFFAOYSA-N,,,,,,,,,,,
100.083.178,291-530-3,90427-34-2,"4,4'-[1,3,4-oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)azo]]bis[3-hydroxy-N-methylnaphthalene-2-carboxamide]","4,4'-{1,3,4-oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)diazene-2,1-diyl]}bis(3-hydroxy-N-methyl-2-naphthamide)",CNC(=O)c7cc1ccccc1c(N=Nc6ccc(c2nnc(o2)c3ccc(cc3Cl)N=Nc4c5ccccc5cc(C(=O)NC)c4O)c(Cl)c6)c7O,CNC(=O)c7cc1ccccc1c(N=Nc6ccc(c2nnc(o2)c3ccc(cc3Cl)N=Nc4c5ccccc5cc(C(=O)NC)c4O)c(Cl)c6)c7O,"InChI=1/C38H26Cl2N8O5/c1-41-35(51)27-15-19-7-3-5-9-23(19)31(33(27)49)45-43-21-11-13-25(29(39)17-21)37-47-48-38(53-37)26-14-12-22(18-30(26)40)44-46-32-24-10-6-4-8-20(24)16-28(34(32)50)36(52)42-2/h3-18,49-50H,1-2H3,(H,41,51)(H,42,52)",C38H26Cl2N8O5,,,,,,LMSKJDIKEUAKDX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.341,288-406-6,85720-97-4,5-[[4-(phenylazo)phenyl]azo]salicylaldehyde,2-hydroxy-5-{[4-(phenyldiazenyl)phenyl]diazenyl}benzaldehyde,O=Cc1cc(ccc1O)N=Nc3ccc(N=Nc2ccccc2)cc3,O=Cc1cc(ccc1O)N=Nc3ccc(N=Nc2ccccc2)cc3,"InChI=1/C19H14N4O2/c24-13-14-12-18(10-11-19(14)25)23-22-17-8-6-16(7-9-17)21-20-15-4-2-1-3-5-15/h1-13,25H",C19H14N4O2,,,,,,FZGQMLKOUBTYCX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.342,288-407-1,85720-98-5,"6-(methylamino)naphthalene-1,3-disulphonic acid","6-(methylamino)naphthalene-1,3-disulfonic acid",CNc1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)O,CNc1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C11H11NO6S2/c1-12-8-2-3-10-7(4-8)5-9(19(13,14)15)6-11(10)20(16,17)18/h2-6,12H,1H3,(H,13,14,15)(H,16,17,18)",C11H11NO6S2,,,,,,ZKOUEUSBTLIJBN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.351,288-417-6,85721-07-9,"[[4-[(dihydroxybismuthino)oxy]-2-[(hydroxyiodobismuthino)oxy]-1,3-phenylene]bis(sulphonyloxy)]bis[dihydroxybismuthine]","(2,4-bis{[(dihydroxybismuthino)oxy]sulfonyl}-3-{[hydroxy(iodo)bismuthino]oxy}phenoxy)(dihydroxy)bismuthine",O[Bi](O)Oc1ccc(c(O[Bi](O)I)c1S(=O)(=O)O[Bi](O)O)S(=O)(=O)O[Bi](O)O,O[Bi](O)Oc1ccc(c(O[Bi](O)I)c1S(=O)(=O)O[Bi](O)O)S(=O)(=O)O[Bi](O)O,"InChI=1/C6H6O8S2.4Bi.HI.7H2O/c7-3-1-2-4(15(9,10)11)5(8)6(3)16(12,13)14;;;;;;;;;;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;1H;7*1H2/q;4*+3;;;;;;;;/p-12/rC6H9Bi4IO15S2/c11-7(12)24-5-4(27(19,20)25-9(15)16)2-1-3(23-8(13)14)6(5)28(21,22)26-10(17)18/h1-2,12-18H",C6H9Bi4IO15S2,,,,,,USTLSERDHWJEMG-UHFFFAOYSA-B,,,,,,,,,,,
100.080.353,288-419-7,85721-09-1,2-bromo-4'-fluoro-4-(trifluoromethyl)benzophenone,[2-bromo-4-(trifluoromethyl)phenyl](4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)c2ccc(cc2Br)C(F)(F)F,Fc1ccc(cc1)C(=O)c2ccc(cc2Br)C(F)(F)F,"InChI=1/C14H7BrF4O/c15-12-7-9(14(17,18)19)3-6-11(12)13(20)8-1-4-10(16)5-2-8/h1-7H",C14H7BrF4O,,,,,,PGXKLZYRXYOHHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.363,288-430-7,85721-19-3,1-hexyl-3-methylindan,1-hexyl-3-methylindane,CCCCCCC1CC(C)c2ccccc12,CCCCCCC1CC(C)c2ccccc12,"InChI=1/C16H24/c1-3-4-5-6-9-14-12-13(2)15-10-7-8-11-16(14)15/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3",C16H24,,,,,,MJJKSTMTILBLCF-UHFFFAOYSA-N,,,,,,,,,,,
100.084.827,293-344-8,91054-94-3,"3,3'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bispropiononitrile","3,3'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]dipropanenitrile",OC(COCCC#N)COCCC#N,OC(COCCC#N)COCCC#N,"InChI=1/C9H14N2O3/c10-3-1-5-13-7-9(12)8-14-6-2-4-11/h9,12H,1-2,5-8H2",C9H14N2O3,,,,,,KBUBTZMZSVZFQU-UHFFFAOYSA-N,,,,,,,,,,,
100.084.828,293-345-3,91057-18-0,"5,5-diethoxy-4-methylpent-3-en-1-yne","5,5-diethoxy-4-methylpent-3-en-1-yne",CCOC(OCC)C(C)=CC#C,CCOC(OCC)C(C)=CC#C,"InChI=1/C10H16O2/c1-5-8-9(4)10(11-6-2)12-7-3/h1,8,10H,6-7H2,2-4H3",C10H16O2,,,,,,DERQCIKRSQWNOA-UHFFFAOYSA-N,,,,,,,,,,,
100.081.060,289-197-4,86170-43-6,N-[(benzyloxy)carbonyl]-L-valylglycyl-N-(p-nitrophenyl)-L-argininamide monoacetate,N-[(benzyloxy)carbonyl]-L-valylglycyl-N-(4-nitrophenyl)-L-argininamide acetate,O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C.CC(O)=O,O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C.CC(O)=O,"InChI=1/C27H36N8O7.C2H4O2/c1-17(2)23(34-27(39)42-16-18-7-4-3-5-8-18)25(38)31-15-22(36)33-21(9-6-14-30-26(28)29)24(37)32-19-10-12-20(13-11-19)35(40)41;1-2(3)4/h3-5,7-8,10-13,17,21,23H,6,9,14-16H2,1-2H3,(H,31,38)(H,32,37)(H,33,36)(H,34,39)(H4,28,29,30);1H3,(H,3,4)",C27H36N8O7.C2H4O2,,,,,,OOVPFYDKQBSPHP-IUQUCOCYSA-N,,,,,,,,,,,
100.081.062,289-200-9,86178-38-3,"3,3,5-trimethylcyclohexyl acrylate","3,3,5-trimethylcyclohexyl acrylate",CC1CC(CC(C)(C)C1)OC(=O)C=C,CC1CC(CC(C)(C)C1)OC(=O)C=C,"InChI=1/C12H20O2/c1-5-11(13)14-10-6-9(2)7-12(3,4)8-10/h5,9-10H,1,6-8H2,2-4H3",C12H20O2,,,,,,ZMTBGVBNTHTBEC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.066,289-205-6,86218-08-8,4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonic acid,4-oxo-4-{[2-(2-oxoimidazolidin-1-yl)ethyl]amino}but-2-enoic acid,OC(=O)\\C=C/C(=O)NCCN1CCNC1=O,OC(=O)\C=C/C(=O)NCCN1CCNC1=O,"InChI=1/C9H13N3O4/c13-7(1-2-8(14)15)10-3-5-12-6-4-11-9(12)16/h1-2H,3-6H2,(H,10,13)(H,11,16)(H,14,15)",C9H13N3O4,,,,,,FROXAXDNCMRIDL-UPHRSURJSA-N,,,,,,,,,,,
100.081.086,289-227-6,86362-36-9,"3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate","2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl nicotinate",CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1,"InChI=1/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3",C35H53NO3,,,,,,MSCCTZZBYHQMQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.088,289-229-7,86370-24-3,Hexacosyloxirane,2-hexacosyloxirane,CCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1,"InChI=1/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-27-29-28/h28H,2-27H2,1H3",C28H56O,,,,,,MBJVZMPEPVSKAS-UHFFFAOYSA-N,,,,,,,,,,,
100.081.092,289-233-9,86422-58-4,"Ethyl 4,5-dihydro-5-oxo-4-[[4-[(2-phenoxyethoxy)carbonyl]phenyl]azo]-1-phenyl-1H-pyrazole-3-carboxylate","ethyl 5-oxo-4-({4-[(2-phenoxyethoxy)carbonyl]phenyl}diazenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",CCOC(=O)C/4=N/N(c1ccccc1)C(=O)C\\4N=Nc2ccc(cc2)C(=O)OCCOc3ccccc3,CCOC(=O)C/4=N/N(c1ccccc1)C(=O)C\4N=Nc2ccc(cc2)C(=O)OCCOc3ccccc3,"InChI=1/C27H24N4O6/c1-2-35-27(34)24-23(25(32)31(30-24)21-9-5-3-6-10-21)29-28-20-15-13-19(14-16-20)26(33)37-18-17-36-22-11-7-4-8-12-22/h3-16,23H,2,17-18H2,1H3",C27H24N4O6,,,,,,ZNTJXAOPPBGMTI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.096,289-238-6,86451-86-7,N-(diphosphonomethyl)-N-methylglycine,N-(diphosphonomethyl)-N-methylglycine,CN(CC(O)=O)C(P(O)(O)=O)P(O)(O)=O,CN(CC(O)=O)C(P(O)(O)=O)P(O)(O)=O,"InChI=1/C4H11NO8P2/c1-5(2-3(6)7)4(14(8,9)10)15(11,12)13/h4H,2H2,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13)",C4H11NO8P2,,,,,,HXUQIWPUXBVDGE-UHFFFAOYSA-N,,,,,,,,,,,
100.079.751,287-756-7,85567-43-7,"Methyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate","methyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate",COC(=O)c1oc2cccnc2c1O,COC(=O)c1oc2cccnc2c1O,"InChI=1/C9H7NO4/c1-13-9(12)8-7(11)6-5(14-8)3-2-4-10-6/h2-4,11H,1H3",C9H7NO4,,,,,,BIMSZOTZTGCYEO-UHFFFAOYSA-N,,,,,,,,,,,
100.079.754,287-759-3,85567-46-0,"N,N-diethyl-3-hydroxypyridine-2-carboxamide monohydrochloride","N,N-diethyl-3-hydroxypyridine-2-carboxamide hydrochloride",Cl.CCN(CC)C(=O)c1ncccc1O,Cl.CCN(CC)C(=O)c1ncccc1O,"InChI=1/C10H14N2O2.ClH/c1-3-12(4-2)10(14)9-8(13)6-5-7-11-9;/h5-7,13H,3-4H2,1-2H3;1H",C10H14N2O2.ClH,,,,,,NFPZMHCCSGBKPN-UHFFFAOYSA-N,,,,,,,,,,,
100.079.765,287-771-9,85567-57-3,Dibutylnaphthalene-2-sulphonic acid,"1,3-dibutylnaphthalene-2-sulfonic acid",CCCCc1cc2ccccc2c(CCCC)c1S(=O)(=O)O,CCCCc1cc2ccccc2c(CCCC)c1S(=O)(=O)O,"InChI=1/C18H24O3S/c1-3-5-9-15-13-14-10-7-8-12-16(14)17(11-6-4-2)18(15)22(19,20)21/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21)",C18H24O3S,,,,,,WQAHBQDXMLKOGT-UHFFFAOYSA-N,,,,,,,,,,,
100.079.766,287-772-4,85567-58-4,Butylnaphthalene-2-sulphonic acid,1-butylnaphthalene-2-sulfonic acid,CCCCc1c(ccc2ccccc12)S(=O)(=O)O,CCCCc1c(ccc2ccccc12)S(=O)(=O)O,"InChI=1/C14H16O3S/c1-2-3-7-13-12-8-5-4-6-11(12)9-10-14(13)18(15,16)17/h4-6,8-10H,2-3,7H2,1H3,(H,15,16,17)",C14H16O3S,,,,,,KGRKBAKQGAXOFO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.353,298-335-2,93803-63-5,"2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-m-cresol]","2,2'-methylenebis(6-tert-butyl-4-ethyl-3-methylphenol)",CCc1cc(c(O)c(Cc2c(C)c(CC)cc(c2O)C(C)(C)C)c1C)C(C)(C)C,CCc1cc(c(O)c(Cc2c(C)c(CC)cc(c2O)C(C)(C)C)c1C)C(C)(C)C,"InChI=1/C27H40O2/c1-11-18-13-22(26(5,6)7)24(28)20(16(18)3)15-21-17(4)19(12-2)14-23(25(21)29)27(8,9)10/h13-14,28-29H,11-12,15H2,1-10H3",C27H40O2,,,,,,JTOIRRMZJBJBFB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.362,298-345-7,93803-72-6,"5-oxo-L-proline, compound with 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethylamine (1:1)","5-oxo-L-proline - 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine (1:1)",CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2.OC(=O)[C@@H]3CCC(=O)N3,CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C18H22ClNO.C5H7NO3/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;7-4-2-1-3(6-4)5(8)9/h4-12H,13-14H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C18H22ClNO.C5H7NO3,,,,,,LLKBXCXJSMKZJN-HVDRVSQOSA-N,,,,,,,,,,,
100.089.363,298-346-2,93803-73-7,"5-oxo-L-proline, compound with 1,5-dimethyl-N-(3-methylbutyl)hexylamine (1:1)",5-oxo-L-proline - 6-methyl-N-(3-methylbutyl)heptan-2-amine (1:1),CC(C)CCCC(C)NCCC(C)C.OC(=O)[C@@H]1CCC(=O)N1,CC(C)CCCC(C)NCCC(C)C.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C13H29N.C5H7NO3/c1-11(2)7-6-8-13(5)14-10-9-12(3)4;7-4-2-1-3(6-4)5(8)9/h11-14H,6-10H2,1-5H3;3H,1-2H2,(H,6,7)(H,8,9)",C13H29N.C5H7NO3,,,,,,UDBSTPFSZXOXRY-HVDRVSQOSA-N,,,,,,,,,,,
100.091.237,300-407-6,93940-14-8,"N-(3-cyano-9,10-dihydro-9,10-dioxo-2-anthryl)[1,1'-biphenyl]-4-carboxamide","N-(3-cyano-9,10-dioxo-9,10-dihydroanthracen-2-yl)biphenyl-4-carboxamide",O=C(Nc1cc2C(=O)c3ccccc3C(=O)c2cc1C#N)c4ccc(cc4)c5ccccc5,O=C(Nc1cc2C(=O)c3ccccc3C(=O)c2cc1C#N)c4ccc(cc4)c5ccccc5,"InChI=1/C28H16N2O3/c29-16-20-14-23-24(27(32)22-9-5-4-8-21(22)26(23)31)15-25(20)30-28(33)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H,(H,30,33)",C28H16N2O3,,,,,,GJJVYWHXZQSRDO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.240,300-410-2,93940-17-1,Ethyldimethyl[2-[(2-methylphenyl)phenylmethoxy]ethyl]ammonium chloride,"N-ethyl-N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium chloride",[Cl-].CC[N+](C)(C)CCOC(c1ccccc1)c2ccccc2C,[Cl-].CC[N+](C)(C)CCOC(c1ccccc1)c2ccccc2C,"InChI=1/C20H28NO.ClH/c1-5-21(3,4)15-16-22-20(18-12-7-6-8-13-18)19-14-10-9-11-17(19)2;/h6-14,20H,5,15-16H2,1-4H3;1H/q+1;/p-1",C20H28NO.Cl,,,,,,QRMHFXKGPIZXJN-UHFFFAOYSA-M,,,,,,,,,,,
100.091.241,300-411-8,93940-18-2,6-[2-(dimethylamino)ethoxy]-5-isopropyl-o-cresol hydrochloride,2-[2-(dimethylamino)ethoxy]-3-isopropyl-6-methylphenol hydrochloride,Cl.CC(C)c1ccc(C)c(O)c1OCCN(C)C,Cl.CC(C)c1ccc(C)c(O)c1OCCN(C)C,"InChI=1/C14H23NO2.ClH/c1-10(2)12-7-6-11(3)13(16)14(12)17-9-8-15(4)5;/h6-7,10,16H,8-9H2,1-5H3;1H",C14H23NO2.ClH,,,,,,IRFSYHHMXAEECV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.002,302-349-7,94108-11-9,Methyl 4-[[(dimethylamino)carbonyl]thio]-o-acetylsalicylate,methyl 2-acetoxy-4-[(dimethylcarbamoyl)sulfanyl]benzoate,O=C(Sc1cc(OC(C)=O)c(cc1)C(=O)OC)N(C)C,O=C(Sc1cc(OC(C)=O)c(cc1)C(=O)OC)N(C)C,"InChI=1/C13H15NO5S/c1-8(15)19-11-7-9(20-13(17)14(2)3)5-6-10(11)12(16)18-4/h5-7H,1-4H3",C13H15NO5S,,,,,,ATMUYLLKJWMJDD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.003,302-350-2,94108-12-0,Methyl 4-[(dimethylamino)thioxomethoxy]-o-acetylsalicylate,methyl 2-acetoxy-4-[(dimethylcarbamothioyl)oxy]benzoate,O=C(C)Oc1cc(ccc1C(=O)OC)OC(=S)N(C)C,O=C(C)Oc1cc(ccc1C(=O)OC)OC(=S)N(C)C,"InChI=1/C13H15NO5S/c1-8(15)18-11-7-9(19-13(20)14(2)3)5-6-10(11)12(16)17-4/h5-7H,1-4H3",C13H15NO5S,,,,,,GEHCHPPPQGTLNE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.008,302-356-5,94108-17-5,"N,N'-(p-phenylenedimethylidyne)bis(2-ethoxyethylamine)","N,N'-(1,4-phenylenedimethylylidene)bis(2-ethoxyethanamine)",CCOCCN=Cc1ccc(C=NCCOCC)cc1,CCOCCN=Cc1ccc(C=NCCOCC)cc1,"InChI=1/C16H24N2O2/c1-3-19-11-9-17-13-15-5-7-16(8-6-15)14-18-10-12-20-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3",C16H24N2O2,,,,,,DEEZXCQZRUWXAL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.010,302-358-6,94108-19-7,Kanamycin A heptakis(sulphate),"4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside heptasulfate (salt)",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1/C18H36N4O11.7H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;7*1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;7*(H2,1,2,3,4)",C18H36N4O11.7H2O4S,,,,,,BXURHQZDJMPGHT-ROEJTCLISA-N,,,,,,,,,,,
100.093.026,302-375-9,94108-36-8,Benzyl(2-hydroxyethyl)methyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,N-benzyl-N-(2-hydroxyethyl)-N-methyl-3-(stearoylamino)propan-1-aminium chloride,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCO)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCO)Cc1ccccc1,"InChI=1/C31H56N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31(35)32-25-21-26-33(2,27-28-34)29-30-22-18-17-19-23-30;/h17-19,22-23,34H,3-16,20-21,24-29H2,1-2H3;1H",C31H57N2O2.Cl,,,,,,PWDUULHZZKYTHG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.309,286-170-9,85187-82-2,"2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate","2-(2-{4-[(2-cyanoethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium methyl sulfate",COS(=O)(=O)[O-].CN(CCC#N)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,COS(=O)(=O)[O-].CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C23H26N3.CH4O4S/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5-6(2,3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C23H26N3.CH3O4S,,,,,,YCGIYKJTOOCUTE-UHFFFAOYSA-M,,,,,,,,,,,
100.078.314,286-176-1,85187-87-7,"2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium dihydrogen phosphate","2-[(4-methoxyphenyl)(methyl)carbonohydrazonoyl]-1,3,3-trimethyl-5-nitro-3H-indolium dihydrogen phosphate",[H+].[H+].[O-]P([O-])([O-])=O.COc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,[H+].[H+].[O-]P([O-])([O-])=O.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O,"InChI=1/C20H23N4O3.H3O4P.2H2/c1-20(2)17-12-15(24(25)26)8-11-18(17)22(3)19(20)13-21-23(4)14-6-9-16(27-5)10-7-14;1-5(2,3)4;;/h6-13H,1-5H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3",C20H23N4O3.H2O4P,,,,,,OAFOWXGMFSMGPK-UHFFFAOYSA-M,,,,,,,,,,,
100.078.315,286-177-7,85187-88-8,"2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)","bis[2-(2-{4-[(2-chloroethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium] sulfate",CN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.CN(CCCl)c4ccc(\\C=C\\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-],CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CN(CCCl)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-],"InChI=1/2C22H26ClN2.H2O4S/c2*1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5(2,3)4/h2*5-14H,15-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C22H26ClN2.1/2O4S,,,,,,AJSXYXQFLIXLSN-UHFFFAOYSA-L,,,,,,,,,,,
100.078.321,286-184-5,85187-94-6,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate,"2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium hydrogen sulfate",[H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O,[H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O,"InChI=1/C19H25ClN5O2.H2O4S.H2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;1-5(2,3)4;/h6-11,14H,5,12-13H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C19H25ClN5O2.HO4S,,,,,,KPSLTTZHDWMICQ-UHFFFAOYSA-M,,,,,,,,,,,
100.090.030,299-081-5,93843-03-9,"1-carboxyethyl stearate, compound with 2,2',2''-nitrilotriethanol (1:1)","2-(stearoyloxy)propanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)O.OCCN(CCO)CCO,"InChI=1/C21H40O4.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;8-4-1-7(2-5-9)3-6-10/h19H,3-18H2,1-2H3,(H,23,24);8-10H,1-6H2",C21H40O4.C6H15NO3,,,,,,HPDAKEPIOVJUBR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.067,299-121-1,93856-87-2,"14-(p-chloro-m-methylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol","14-(4-chloro-3-methylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol",Cc1cc(OCCOCCOCCOCCOCCO)ccc1Cl,Cc1cc(OCCOCCOCCOCCOCCO)ccc1Cl,"InChI=1/C17H27ClO6/c1-15-14-16(2-3-17(15)18)24-13-12-23-11-10-22-9-8-21-7-6-20-5-4-19/h2-3,14,19H,4-13H2,1H3",C17H27ClO6,,,,,,LSJIVUWAPHUOFU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.324,286-187-1,85187-97-9,[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium methyl sulphate,"N-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-2-hydroxy-N,N-dimethylpropan-1-aminium methyl sulfate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S(=O)(=O)OC,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S(=O)(=O)OC,"InChI=1/C21H29ClN5O3.CH4O4S/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5-6(2,3)4/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C21H29ClN5O3.CH3O4S,,,,,,IJYPXDIDARYZFW-UHFFFAOYSA-M,,,,,,,,,,,
100.078.337,286-201-6,85188-11-0,Disodium 6-amino-5-[(4-chloro-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-[(4-chloro-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].Clc3cc(c(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)cc3)S([O-])(=O)=O,[Na+].[Na+].Clc3cc(c(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)cc3)S([O-])(=O)=O,"InChI=1/C16H12ClN3O7S2.2Na/c17-9-2-4-12(14(6-9)29(25,26)27)19-20-16-11(18)3-1-8-5-10(28(22,23)24)7-13(21)15(8)16;;/h1-7,21H,18H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C16H12ClN3O7S2.2Na,,,,,,MHPWAVWWZGMFKF-UHFFFAOYSA-L,,,,,,,,,,,
100.078.343,286-207-9,85188-17-6,"Sodium 2'-[4-[[2,4-dihydroxy-5-(phenylazo)phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate","sodium 2'-(4-{[2,4-dihydroxy-5-(phenyldiazenyl)phenyl]diazenyl}phenyl)-6-methyl-2,6'-bi-1,3-benzothiazole-7-sulfonate",[Na+].Oc2cc(O)c(cc2N=Nc1ccccc1)N=Nc3ccc(cc3)c4nc5ccc(cc5s4)c6nc7ccc(C)c(c7s6)S([O-])(=O)=O,[Na+].Oc2cc(O)c(cc2N=Nc1ccccc1)N=Nc3ccc(cc3)c4nc5ccc(cc5s4)c6nc7ccc(C)c(c7s6)S([O-])(=O)=O,"InChI=1/C33H22N6O5S3.Na/c1-18-7-13-24-30(31(18)47(42,43)44)46-33(35-24)20-10-14-23-29(15-20)45-32(34-23)19-8-11-22(12-9-19)37-39-26-16-25(27(40)17-28(26)41)38-36-21-5-3-2-4-6-21;/h2-17,40-41H,1H3,(H,42,43,44);/q;+1/p-1",C33H22N6O5S3.Na,,,,,,YGLGUUMAMNNUST-UHFFFAOYSA-M,,,,,,,,,,,
100.078.351,286-216-8,85188-27-8,"Sodium [(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)amino]toluenesulphonate","sodium 2-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-6-methylbenzenesulfonate",[Na+].Cc1cccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c1S(=O)(=O)[O-],[Na+].Cc1cccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c1S(=O)(=O)[O-],"InChI=1/C21H15NO6S.Na/c1-11-5-4-8-15(21(11)29(26,27)28)22-14-9-10-16(23)18-17(14)19(24)12-6-2-3-7-13(12)20(18)25;/h2-10,22-23H,1H3,(H,26,27,28);/q;+1/p-1",C21H15NO6S.Na,,,,,,LSBIMCPFJCFXQY-UHFFFAOYSA-M,,,,,,,,,,,
100.080.364,288-431-2,85721-20-6,1-heptyl-3-methylindan,1-heptyl-3-methylindane,CCCCCCCC1CC(C)c2ccccc12,CCCCCCCC1CC(C)c2ccccc12,"InChI=1/C17H26/c1-3-4-5-6-7-10-15-13-14(2)16-11-8-9-12-17(15)16/h8-9,11-12,14-15H,3-7,10,13H2,1-2H3",C17H26,,,,,,PQVLNCYTHUPCBI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.372,288-440-1,85721-28-4,"5-allyldecahydro-1a-methyl-3,6-methanonaphth[2,3-b]oxirene","5-allyl-1a-methyldecahydro-3,6-methanonaphtho[2,3-b]oxirene",CC12CC3C4CC(CC=C)C(C4)C3CC1O2,CC12CC3C4CC(CC=C)C(C4)C3CC1O2,"InChI=1/C15H22O/c1-3-4-9-5-10-6-11(9)12-7-14-15(2,16-14)8-13(10)12/h3,9-14H,1,4-8H2,2H3",C15H22O,,,,,,MVWIPOIFSDKSIW-UHFFFAOYSA-N,,,,,,,,,,,
100.080.127,288-169-9,85665-78-7,2-methyl-4-oxo-4H-pyran-3-yl 2-methylbutyrate,2-methyl-4-oxo-4H-pyran-3-yl 2-methylbutanoate,CCC(C)C(=O)OC1=C(C)OC=CC1=O,CCC(C)C(=O)OC1=C(C)OC=CC1=O,"InChI=1/C11H14O4/c1-4-7(2)11(13)15-10-8(3)14-6-5-9(10)12/h5-7H,4H2,1-3H3",C11H14O4,,,,,,DRUUYVATBOFOMV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.129,288-172-5,85665-80-1,1-methyl-3-phenylallyl isobutyrate,1-methyl-3-phenylprop-2-en-1-yl 2-methylpropanoate,CC(OC(=O)C(C)C)\\C=C\\c1ccccc1,CC(OC(=O)C(C)C)\C=C\c1ccccc1,"InChI=1/C14H18O2/c1-11(2)14(15)16-12(3)9-10-13-7-5-4-6-8-13/h4-12H,1-3H3",C14H18O2,,,,,,BHCGJQKEBIOEQX-MDZDMXLPSA-N,,,,,,,,,,,
100.080.132,288-175-1,85665-83-4,"5-(1,5-dimethylhexyl)dihydrofuran-2(3H)-one","5-(1,5-dimethylhexyl)dihydrofuran-2(3H)-one",CC(C)CCCC(C)C1CCC(=O)O1,CC(C)CCCC(C)C1CCC(=O)O1,"InChI=1/C12H22O2/c1-9(2)5-4-6-10(3)11-7-8-12(13)14-11/h9-11H,4-8H2,1-3H3",C12H22O2,,,,,,QHIZATOHFPWJAM-UHFFFAOYSA-N,,,,,,,,,,,
100.084.434,292-912-2,91006-31-4,"N,N-dimethyl-N'-(5-nitro-2-pyridyl)propane-1,3-diamine","N,N-dimethyl-N'-(5-nitropyridin-2-yl)propane-1,3-diamine",CN(C)CCCNc1ccc(cn1)[N+](=O)[O-],CN(C)CCCNc1ccc(cn1)[N+](=O)[O-],"InChI=1/C10H16N4O2/c1-13(2)7-3-6-11-10-5-4-9(8-12-10)14(15)16/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)",C10H16N4O2,,,,,,HKHGKYUDPOLSFT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.190,288-238-3,85700-75-0,"11a,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione","11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3",C22H30O5,,,,,,WNYLPFCKNQAAMB-OWUXUVPTSA-N,,,,,,,,,,,
100.080.197,288-246-7,85702-55-2,"Dibutylbis[(3,5,5-trimethylhexanoyl)oxy]stannane","dibutyl{bis[(3,5,5-trimethylhexanoyl)oxy]}stannane",CCCC[Sn](CCCC)(OC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C,CCCC[Sn](CCCC)(OC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C,"InChI=1/2C9H18O2.2C4H9.Sn/c2*1-7(5-8(10)11)6-9(2,3)4;2*1-3-4-2;/h2*7H,5-6H2,1-4H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H52O4Sn/c1-11-13-15-31(16-14-12-2,29-23(27)17-21(3)19-25(5,6)7)30-24(28)18-22(4)20-26(8,9)10/h21-22H,11-20H2,1-10H3",C26H52O4Sn,,,,,,FDPOYLKSLUMJRE-UHFFFAOYSA-L,,,,,,,,,,,
100.080.199,288-248-8,85702-57-4,"1,1,3,3-tetrabutyl-1,3-bis[(1-oxohexadecyl)oxy]distannoxane","1,1,3,3-tetrabutyl-1,3-bis(palmitoyloxy)distannoxane",CCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/2C16H32O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4*1-3-4-2;;;/h2*2-15H2,1H3,(H,17,18);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC48H98O5Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-37-39-41-47(49)51-54(43-15-9-3,44-16-10-4)53-55(45-17-11-5,46-18-12-6)52-48(50)42-40-38-36-34-32-30-28-26-24-22-20-14-8-2/h7-46H2,1-6H3",C48H98O5Sn2,,,,,,MFUSGYGMIFRGOX-UHFFFAOYSA-L,,,,,,,,,,,
100.080.208,288-258-2,85702-66-5,"19-(benzoxazol-2-yl)-16,23-dihydronaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone","10-(1,3-benzoxazol-2-yl)-6,13-dihydrodinaphtho[2,3-a:2',3'-i]naphtho[2',3':6,7]indolo[2,3-c]carbazole-5,7,12,14,19,24-hexone",O=C1C=CC2=CC3=C4N=C5C6=C(C(=O)c7ccccc7C6=O)c8[nH]c9C%10=C(CC(=O)c9c8C5=C4C=CC3=CC2=C1)C(=O)c%11cc(ccc%11C%10=O)c%12oc%13ccccc%13n%12,O=C1C=CC2=CC3=C4N=C5C6=C(C(=O)c7ccccc7C6=O)c8[nH]c9C%10=C(CC(=O)c9c8C5=C4C=CC3=CC2=C1)C(=O)c%11cc(ccc%11C%10=O)c%12oc%13ccccc%13n%12,"InChI=1/C49H21N3O7/c53-24-12-9-20-17-29-21(15-23(20)16-24)10-14-28-35-38-37-33(54)19-31-36(46(56)27-13-11-22(18-30(27)45(31)55)49-50-32-7-3-4-8-34(32)59-49)43(37)52-44(38)40-39(42(35)51-41(28)29)47(57)25-5-1-2-6-26(25)48(40)58/h1-18,52H,19H2",C49H21N3O7,,,,,,JSUZPQSLGIHREM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.226,288-278-1,85702-86-9,Dimethylbis(nonanoyloxy)stannane,dimethyl[bis(nonanoyloxy)]stannane,CCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCC,CCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCC,"InChI=1/2C9H18O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9(10)11;;;/h2*2-8H2,1H3,(H,10,11);2*1H3;/q;;;;+2/p-2/rC20H40O4Sn/c1-5-7-9-11-13-15-17-19(21)23-25(3,4)24-20(22)18-16-14-12-10-8-6-2/h5-18H2,1-4H3",C20H40O4Sn,,,,,,DPSIFYQDSWBZKZ-UHFFFAOYSA-L,,,,,,,,,,,
100.079.767,287-774-5,85567-59-5,Butylnaphthalene-1-sulphonic acid,2-butylnaphthalene-1-sulfonic acid,CCCCc1ccc2ccccc2c1S(=O)(=O)O,CCCCc1ccc2ccccc2c1S(=O)(=O)O,"InChI=1/C14H16O3S/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17)",C14H16O3S,,,,,,BMRVLXHIZWDOOK-UHFFFAOYSA-N,,,,,,,,,,,
100.081.117,289-261-1,86626-71-3,2-[ethyl(3-methylphenyl)amino]ethyl 4-(trichloromethyl)benzoate,2-[ethyl(3-methylphenyl)amino]ethyl 4-(trichloromethyl)benzoate,CCN(CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl)c2cccc(C)c2,CCN(CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl)c2cccc(C)c2,"InChI=1/C19H20Cl3NO2/c1-3-23(17-6-4-5-14(2)13-17)11-12-25-18(24)15-7-9-16(10-8-15)19(20,21)22/h4-10,13H,3,11-12H2,1-2H3",C19H20Cl3NO2,,,,,,AUUQESGZJHQNNE-UHFFFAOYSA-N,,,,,,,,,,,
100.081.120,289-264-8,86626-74-6,2-[ethyl(4-formyl-3-methylphenyl)amino]ethyl 4-(trichloromethyl)benzoate,2-[ethyl(4-formyl-3-methylphenyl)amino]ethyl 4-(trichloromethyl)benzoate,CCN(CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl)c2ccc(C=O)c(C)c2,CCN(CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl)c2ccc(C=O)c(C)c2,"InChI=1/C20H20Cl3NO3/c1-3-24(18-9-6-16(13-25)14(2)12-18)10-11-27-19(26)15-4-7-17(8-5-15)20(21,22)23/h4-9,12-13H,3,10-11H2,1-2H3",C20H20Cl3NO3,,,,,,VONXKBUMASGSSI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.146,287-090-7,85409-23-0,"Quaternary ammonium compounds, C12-14-alkyl[(ethylphenyl)methyl]dimethyl, chlorides","N-(4-ethylbenzyl)-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccc(CC)cc1,[Cl-].CCCCCCCCCCCC[N+](C)(C)Cc1ccc(CC)cc1,"InChI=1/C23H42N.ClH/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23;/h16-19H,5-15,20-21H2,1-4H3;1H/q+1;/p-1",-,,,,,,IHDIFQKZWSOIBB-UHFFFAOYSA-M,,,,,,,,,,,
100.079.157,287-103-6,85409-34-3,"Pentasodium 3-[[9,10-bis(sulphonatooxy)-1-anthryl]amino]anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15-triyl tris(sulphate)","pentasodium 3-{[9,10-bis(sulfonatooxy)-1-anthryl]amino}anthra[2,1,9-mna]naphtho[2,3-h]acridine-5,10,15-triyl trisulfate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c(Nc4ccc5c(c4)c(OS(=O)(=O)[O-])c6ccc7c8ccc9c(OS(=O)(=O)[O-])c%10ccccc%10c(OS(=O)(=O)[O-])c9c8nc%11ccc5c6c7%11)cccc13,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c(Nc4ccc5c(c4)c(OS(=O)(=O)[O-])c6ccc7c8ccc9c(OS(=O)(=O)[O-])c%10ccccc%10c(OS(=O)(=O)[O-])c9c8nc%11ccc5c6c7%11)cccc13,"InChI=1/C45H26N2O20S5.5Na/c48-68(49,50)63-41-26-6-1-3-8-28(26)44(66-71(57,58)59)38-30(41)10-5-11-34(38)46-21-12-13-22-23-18-19-35-37-24(14-16-31(36(23)37)43(33(22)20-21)65-70(54,55)56)25-15-17-32-39(40(25)47-35)45(67-72(60,61)62)29-9-4-2-7-27(29)42(32)64-69(51,52)53;;;;;/h1-20,46H,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;/q;5*+1/p-5",C45H26N2O20S5.5K,,,,,,GLMWYWBGCRPSPT-UHFFFAOYSA-I,,,,,,,,,,,
100.079.158,287-104-1,85409-36-5,"3,7-dimethyloct-6-enyl 2-methylbutyrate","3,7-dimethyloct-6-en-1-yl 2-methylbutanoate",CCC(C)C(=O)OCCC(C)CCC=C(C)C,CCC(C)C(=O)OCCC(C)CCC=C(C)C,"InChI=1/C15H28O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,13-14H,6-7,9-11H2,1-5H3",C15H28O2,,,,,,VLUIZCDJJSDSKM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.159,287-105-7,85409-37-6,"1,1'-isopropylidenebis(oxy)bis[2-ethylhexane]","3,3'-[propane-2,2-diylbis(oxymethylene)]diheptane",CCCCC(CC)COC(C)(C)OCC(CC)CCCC,CCCCC(CC)COC(C)(C)OCC(CC)CCCC,"InChI=1/C19H40O2/c1-7-11-13-17(9-3)15-20-19(5,6)21-16-18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3",C19H40O2,,,,,,DQMIMDYVLMHBJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.160,287-106-2,85409-38-7,"(dicyclopropylmethyl)(4,5-dihydro-2-oxazolyl)ammonium dihydrogen phosphate","N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-aminium dihydrogen phosphate",[O-]P(=O)([O-])[O-].C1CN=C([NH2+]C(C2CC2)C3CC3)O1,[O-]P(=O)([O-])[O-].C1CN=C([NH2+]C(C2CC2)C3CC3)O1,"InChI=1/C10H16N2O.H3O4P/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;1-5(2,3)4/h7-9H,1-6H2,(H,11,12);(H3,1,2,3,4)/p-2",C10H16N2O.H3O4P,,,,,,ZJCOWRFWZOAVFY-UHFFFAOYSA-L,,,,,,,,,,,
100.079.161,287-107-8,85409-39-8,5-(aminosulphonyl)-N-[(2-ethyloctahydro-1H-isoindol-1-yl)methyl]-2-methoxybenzamide monohydrochloride,N-[(2-ethyloctahydro-1H-isoindol-1-yl)methyl]-2-methoxy-5-sulfamoylbenzamide hydrochloride,Cl.CCN1CC2CCCCC2C1CNC(=O)c3cc(ccc3OC)S(=O)(=O)N,Cl.CCN1CC2CCCCC2C1CNC(=O)c3cc(ccc3OC)S(=O)(=O)N,"InChI=1/C19H29N3O4S.ClH/c1-3-22-12-13-6-4-5-7-15(13)17(22)11-21-19(23)16-10-14(27(20,24)25)8-9-18(16)26-2;/h8-10,13,15,17H,3-7,11-12H2,1-2H3,(H,21,23)(H2,20,24,25);1H",C19H29N3O4S.ClH,,,,,,GXCZNVFOBJDKBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.162,287-108-3,85409-40-1,3-[3-(methylamino)-3-oxopropyl]-2-[(1-methyl-2-phenyl-1H-indol-3-yl)azo]thiazolium chloride,"3-[3-(methylamino)-3-oxopropyl]-2-[(1-methyl-2-phenyl-1H-indol-3-yl)diazenyl]-1,3-thiazol-3-ium chloride",[Cl-].CNC(=O)CC[n+]4ccsc4N=Nc2c(c1ccccc1)n(C)c3ccccc23,[Cl-].CNC(=O)CC[n+]4ccsc4N=Nc2c(c1ccccc1)n(C)c3ccccc23,"InChI=1/C22H21N5OS.ClH/c1-23-19(28)12-13-27-14-15-29-22(27)25-24-20-17-10-6-7-11-18(17)26(2)21(20)16-8-4-3-5-9-16;/h3-11,14-15H,12-13H2,1-2H3;1H",C22H22N5OS.Cl,,,,,,WXVUDEALDLWLFM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.163,287-109-9,85409-41-2,"Ethyl 2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acrylate","ethyl 2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acrylate",CCOC(=O)\\C(=C/C1CCC2CC1C2(C)C)\\C#N,CCOC(=O)\C(=C/C1CCC2CC1C2(C)C)\C#N,"InChI=1/C15H21NO2/c1-4-18-14(17)11(9-16)7-10-5-6-12-8-13(10)15(12,2)3/h7,10,12-13H,4-6,8H2,1-3H3",C15H21NO2,,,,,,AHMURUIVXKUDHR-XFFZJAGNSA-N,,,,,,,,,,,
100.089.125,298-084-9,93777-52-7,Tris(2-hydroxyethyl)ammonium dihexadecyl phosphate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium dihexadecyl phosphate",CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.OCC[NH+](CCO)CCO,CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.OCC[NH+](CCO)CCO,"InChI=1/C32H67O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-32H2,1-2H3,(H,33,34);8-10H,1-6H2",C32H67O4P.C6H15NO3,,,,,,OTOYAWQBIJQTRP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.126,298-085-4,93777-54-9,"Octadec-9-enyl tetradecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","octadec-9-en-1-yl tetradecyl hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.O=P(O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCCCCCCC,OCCN(CCO)CCO.O=P(O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCCCCCCC,"InChI=1/C32H65O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-37(33,34)35-31-29-27-25-23-21-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h17-18H,3-16,19-32H2,1-2H3,(H,33,34);8-10H,1-6H2",C32H65O4P.C6H15NO3,,,,,,MDCWIKHKUWBKGU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.127,298-087-5,93777-55-0,"Hexadecyl tetradecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","hexadecyl tetradecyl hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCC.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCC.OCCN(CCO)CCO,"InChI=1/C30H63O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-35(31,32)33-29-27-25-23-21-19-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-30H2,1-2H3,(H,31,32);8-10H,1-6H2",C30H63O4P.C6H15NO3,,,,,,JSFWFRSUKUVHMM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.001,300-147-3,93923-59-2,"4-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethoxy]-N,N,N-trimethylanilinium hydroxide","4-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethoxy}-N,N,N-trimethylanilinium hydroxide",[OH-].Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CCOc2ccc(cc2)[N+](C)(C)C)[N+]([O-])=O,[OH-].Clc3cc(ccc3N=Nc1ccc(cc1)N(CC)CCOc2ccc(cc2)[N+](C)(C)C)[N+]([O-])=O,"InChI=1/C25H29ClN5O3.H2O/c1-5-29(16-17-34-23-13-11-22(12-14-23)31(2,3)4)20-8-6-19(7-9-20)27-28-25-15-10-21(30(32)33)18-24(25)26;/h6-15,18H,5,16-17H2,1-4H3;1H2/q+1;/p-1",C25H29ClN5O3.HO,,,,,,MBLXLAQLAKWYOG-UHFFFAOYSA-M,,,,,,,,,,,
100.091.007,300-154-1,93923-65-0,"2-[(1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]naphthalene-1-sulphonic acid","2-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]naphthalene-1-sulfonic acid",O=C3/C=C(/C)\\C(\\N=Nc2ccc1ccccc1c2S(O)(=O)=O)=C(\\O)N3CC,O=C3/C=C(/C)\C(\N=Nc2ccc1ccccc1c2S(O)(=O)=O)=C(\O)N3CC,"InChI=1/C18H17N3O5S/c1-3-21-15(22)10-11(2)16(18(21)23)20-19-14-9-8-12-6-4-5-7-13(12)17(14)27(24,25)26/h4-10,23H,3H2,1-2H3,(H,24,25,26)",C18H17N3O5S,,,,,,KIDCCTGQAHAUSH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.009,300-156-2,93923-68-3,"Cyclohexane-1,2,3,4,5,6-hexacarboxylic acid, ammonium salt","ammonium 2,3,4,5,6-pentacarboxycyclohexanecarboxylate",[NH4+].OC(=O)C1C(C(C(C(C1C(=O)O)C(=O)O)C(=O)[O-])C(=O)O)C(=O)O,[NH4+].OC(=O)C1C(C(C(C(C1C(=O)O)C(=O)O)C(=O)[O-])C(=O)O)C(=O)O,"InChI=1/C12H12O12.H3N/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18;/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H3",C12H12O12.xH3N,,,,,,IQWACAUJHJCJLI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.015,300-163-0,93923-74-1,"N,N'-[ethane-1,2-diylbis[(acetylimino)ethane-2,1-diyl]]bishexadecan-1-amide","N,N'-{ethane-1,2-diylbis[(acetylimino)ethane-2,1-diyl]}dihexadecanamide",CCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C)C(=O)C,CCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C)C(=O)C,"InChI=1/C42H82N4O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41(49)43-33-35-45(39(3)47)37-38-46(40(4)48)36-34-44-42(50)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3,(H,43,49)(H,44,50)",C42H82N4O4,,,,,,IGNGXZWOXCHKKO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.016,300-164-6,93923-75-2,"Sodium 1,2,3,4-tetrahydro-2-hydroxy-7-methoxynaphthalene-2-sulphonate","sodium 2-hydroxy-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-sulfonate",[Na+].COc1ccc2CCC(O)(Cc2c1)S(=O)(=O)[O-],[Na+].COc1ccc2CCC(O)(Cc2c1)S(=O)(=O)[O-],"InChI=1/C11H14O5S.Na/c1-16-10-3-2-8-4-5-11(12,17(13,14)15)7-9(8)6-10;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14,15);/q;+1/p-1",C11H14O5S.Na,,,,,,IUTBJWJEXIBQFF-UHFFFAOYSA-M,,,,,,,,,,,
100.091.023,300-171-4,93923-82-1,"5-hydroxy-3-(hydroxymethyl)pentyl hydrogen cyclohex-4-ene-1,2-dicarboxylate",6-({[5-hydroxy-3-(hydroxymethyl)pentyl]oxy}carbonyl)cyclohex-3-ene-1-carboxylic acid,OCCC(CO)CCOC(=O)C1CC=CCC1C(=O)O,OCCC(CO)CCOC(=O)C1CC=CCC1C(=O)O,"InChI=1/C14H22O6/c15-7-5-10(9-16)6-8-20-14(19)12-4-2-1-3-11(12)13(17)18/h1-2,10-12,15-16H,3-9H2,(H,17,18)",C14H22O6,,,,,,JMOHLXDZKHGJMS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.030,302-380-6,94108-40-4,Sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate,sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate,[Na+].CCCCCCCCCCCCCCCCCCN1CC(CC1=O)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCN1CC(CC1=O)C(=O)[O-],"InChI=1/C23H43NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25;/h21H,2-20H2,1H3,(H,26,27);/q;+1/p-1",C23H43NO3.Na,,,,,,XGBGMIKUOCPNFA-UHFFFAOYSA-M,,,,,,,,,,,
100.093.031,302-381-1,94108-41-5,(Z)-1-(octadec-9-enyl)-5-oxopyrrolidine-3-carboxylic acid,1-octadec-9-en-1-yl-5-oxopyrrolidine-3-carboxylic acid,CCCCCCCC\\C=C/CCCCCCCCN1CC(CC1=O)C(=O)O,CCCCCCCC\C=C/CCCCCCCCN1CC(CC1=O)C(=O)O,"InChI=1/C23H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25/h9-10,21H,2-8,11-20H2,1H3,(H,26,27)",C23H41NO3,,,,,,OLRBXRSNJFXWTD-KTKRTIGZSA-N,,,,,,,,,,,
100.090.073,299-127-4,93856-93-0,Ethyl [2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-carbamate,ethyl [2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]carbamate,CCOC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],CCOC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-],"InChI=1/C12H16N2O6/c1-2-20-12(17)13-10(7-15)11(16)8-3-5-9(6-4-8)14(18)19/h3-6,10-11,15-16H,2,7H2,1H3,(H,13,17)",C12H16N2O6,,,,,,BTELZCMNUQBOJV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.076,299-131-6,93856-96-3,"1-(3,4-dichlorophenyl)-3-[3-[(trifluoromethyl)thio]phenyl]urea","1-(3,4-dichlorophenyl)-3-{3-[(trifluoromethyl)sulfanyl]phenyl}urea",FC(F)(F)Sc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1,FC(F)(F)Sc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1,"InChI=1/C14H9Cl2F3N2OS/c15-11-5-4-9(7-12(11)16)21-13(22)20-8-2-1-3-10(6-8)23-14(17,18)19/h1-7H,(H2,20,21,22)",C14H9Cl2F3N2OS,,,,,,HMYXMPYYJLJTFD-UHFFFAOYSA-N,,,,,,,,,,,
100.090.092,299-148-9,93857-17-1,Dodecyltris(lauroyloxy)stannane,tris(dodecanoyloxy)(dodecyl)stannane,CCCCCCCCCCCC[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1/3C12H24O2.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-9-11-12-10-8-6-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-12H2,2H3;/q;;;;+3/p-3/rC48H94O6Sn/c1-5-9-13-17-21-25-29-33-37-41-45-55(52-46(49)42-38-34-30-26-22-18-14-10-6-2,53-47(50)43-39-35-31-27-23-19-15-11-7-3)54-48(51)44-40-36-32-28-24-20-16-12-8-4/h5-45H2,1-4H3",C48H94O6Sn,,,,,,COBQHCOQMZLUPS-UHFFFAOYSA-K,,,,,,,,,,,
100.090.101,299-158-3,93857-26-2,Ethyltrimethylammonium 2-acetoxy-5-oxo-L-prolinate,"N,N,N-trimethylethanaminium 2-acetoxy-5-oxopyrrolidine-2-carboxylate",CC[N+](C)(C)C.CC(=O)O[C@]1(CCC(=O)N1)C(=O)[O-],CC[N+](C)(C)C.CC(=O)O[C@]1(CCC(=O)N1)C(=O)[O-],"InChI=1/C7H9NO5.C5H14N/c1-4(9)13-7(6(11)12)3-2-5(10)8-7;1-5-6(2,3)4/h2-3H2,1H3,(H,8,10)(H,11,12);5H2,1-4H3/q;+1/p-1",C7H16NO2.C5H6NO3,,,,,,JFKVDRKMPVJZNC-OGFXRTJISA-M,,,,,,,,,,,
100.090.104,299-162-5,93857-29-5,"5-oxo-L-proline, compound with 5,7-dibromoquinolin-8-ol (1:1)","5-oxo-L-proline - 5,7-dibromoquinolin-8-ol (1:1)",OC(=O)[C@@H]1CCC(=O)N1.Oc2c(Br)cc(Br)c3cccnc23,OC(=O)[C@@H]1CCC(=O)N1.Oc2c(Br)cc(Br)c3cccnc23,"InChI=1/C9H5Br2NO.C5H7NO3/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;7-4-2-1-3(6-4)5(8)9/h1-4,13H;3H,1-2H2,(H,6,7)(H,8,9)",C9H5Br2NO.C5H7NO3,,,,,,DRZJRTZZIKMYSU-HVDRVSQOSA-N,,,,,,,,,,,
100.090.107,299-165-1,93857-32-0,"5-oxo-L-proline, compound with isonicotinohydrazide (1:1)",5-oxo-L-proline - isonicotinohydrazide (1:1),NNC(=O)c1ccncc1.OC(=O)[C@@H]2CCC(=O)N2,NNC(=O)c1ccncc1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C6H7N3O.C5H7NO3/c7-9-6(10)5-1-3-8-4-2-5;7-4-2-1-3(6-4)5(8)9/h1-4H,7H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C6H7N3O.C5H7NO3,,,,,,QSHNIFQLLFQMGW-HVDRVSQOSA-N,,,,,,,,,,,
100.090.109,299-167-2,93857-34-2,"5-oxo-L-proline, compound with 2-methyl-3-(o-tolyl)quinazolin-4(3H)-one (1:1)",5-oxo-L-proline - 2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one (1:1),CC1=Nc2ccccc2C(=O)N1c3ccccc3C.OC(=O)[C@@H]4CCC(=O)N4,CC1=Nc2ccccc2C(=O)N1c3ccccc3C.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C16H14N2O.C5H7NO3/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;7-4-2-1-3(6-4)5(8)9/h3-10H,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C16H14N2O.C5H7NO3,,,,,,BQVVMXDBXGGUJI-HVDRVSQOSA-N,,,,,,,,,,,
100.078.357,286-223-6,85199-88-8,Bicyclo[2.2.1]heptanedicarbaldehyde,"bicyclo[2.2.1]heptane-1,2-dicarbaldehyde",O=CC1CC2CCC1(C2)C=O,O=CC1CC2CCC1(C2)C=O,"InChI=1/C9H12O2/c10-5-8-3-7-1-2-9(8,4-7)6-11/h5-8H,1-4H2",C9H12O2,,,,,,BUBNLSKXZYDNHK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.362,286-228-3,85201-36-1,"Bis(7,8-didehydro-4,5a-epoxy-3,6a-dimethoxy-17-methylmorphinan) sulphate","3,6-dimethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan sulfate (2:1)",CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45.CO[C@H]6C=C[C@H]7[C@H]8Cc9ccc(OC)c%10O[C@@H]6[C@]7(CCN8C)c9%10.OS(=O)(=O)O,CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45.CO[C@H]6C=C[C@H]7[C@H]8Cc9ccc(OC)c%10O[C@@H]6[C@]7(CCN8C)c9%10.OS(=O)(=O)O,"InChI=1/2C19H23NO3.H2O4S/c2*1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;1-5(2,3)4/h2*4-7,12-13,15,18H,8-10H2,1-3H3;(H2,1,2,3,4)",C19H23NO3.1/2H2O4S,,,,,,HUBMFPRGEPHKND-BIXMDUQZSA-N,,,,,,,,,,,
100.078.506,286-387-9,85223-32-1,"Sodium 1-amino-4-[(2-ethylhexyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(2-ethylhexyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CCCCC(CC)CNc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],[Na+].CCCCC(CC)CNc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C22H26N2O5S.Na/c1-3-5-8-13(4-2)12-24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)14-9-6-7-10-15(14)22(19)26;/h6-7,9-11,13,24H,3-5,8,12,23H2,1-2H3,(H,27,28,29);/q;+1/p-1",C22H26N2O5S.Na,,,,,,IMVBAZWVBCICIB-UHFFFAOYSA-M,,,,,,,,,,,
100.092.811,302-139-5,94094-38-9,"5-chloro-2-(4-chlorophenoxy)-N,N-diethyl-4-nitroaniline","5-chloro-2-(4-chlorophenoxy)-N,N-diethyl-4-nitroaniline",CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+](=O)[O-],CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+](=O)[O-],"InChI=1/C16H16Cl2N2O3/c1-3-19(4-2)15-9-13(18)14(20(21)22)10-16(15)23-12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3",C16H16Cl2N2O3,,,,,,JOFIIJLHJGKEGN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.227,288-279-7,85702-87-0,"Dioctylbis(3,5,5-trimethylhexanoyloxy)stannane","dioctyl{bis[(3,5,5-trimethylhexanoyl)oxy]}stannane",CCCCCCCC[Sn](CCCCCCCC)(OC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C,CCCCCCCC[Sn](CCCCCCCC)(OC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C,"InChI=1/2C9H18O2.2C8H17.Sn/c2*1-7(5-8(10)11)6-9(2,3)4;2*1-3-5-7-8-6-4-2;/h2*7H,5-6H2,1-4H3,(H,10,11);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC34H68O4Sn/c1-11-13-15-17-19-21-23-39(24-22-20-18-16-14-12-2,37-31(35)25-29(3)27-33(5,6)7)38-32(36)26-30(4)28-34(8,9)10/h29-30H,11-28H2,1-10H3",C34H68O4Sn,,,,,,MSGARTJEYPEKJX-UHFFFAOYSA-L,,,,,,,,,,,
100.080.001,288-031-8,85631-82-9,"Trisodium 5-[[2,4-dihydroxy-5-[[4-(phenylamino)-3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({5-[(4-anilino-3-sulfonatophenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(Nc1ccccc1)c(c2)S([O-])(=O)=O)N=Nc6cc(cc5cc(c(N=Nc4ccc(cc4)[N+]([O-])=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(Nc1ccccc1)c(c2)S([O-])(=O)=O)N=Nc6cc(cc5cc(c(N=Nc4ccc(cc4)[N+]([O-])=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C34H24N8O14S3.3Na/c43-28-17-29(44)26(16-25(28)38-37-21-8-11-24(30(14-21)58(51,52)53)35-19-4-2-1-3-5-19)39-40-27-15-23(57(48,49)50)12-18-13-31(59(54,55)56)33(34(45)32(18)27)41-36-20-6-9-22(10-7-20)42(46)47;;;/h1-17,35,43-45H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C34H24N8O14S3.3Na,,,,,,ACUCGXMQEHNUDP-UHFFFAOYSA-K,,,,,,,,,,,
100.080.017,288-049-6,85646-44-2,N-(4-nitrobenzoyl)-D-glutamic acid,N-(4-nitrobenzoyl)-D-glutamic acid,OC(=O)CC[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O,OC(=O)CC[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O,"InChI=1/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)",C12H12N2O7,,,,,,NOJZBJAFCSWMKC-SECBINFHSA-N,,,,,,,,,,,
100.080.024,288-056-4,85650-48-2,4-[2-hydroxy-3-[benzyl(isopropyl)amino]propoxy]phenylacetamide,2-(4-{3-[benzyl(isopropyl)amino]-2-hydroxypropoxy}phenyl)acetamide,CC(C)N(CC(O)COc1ccc(CC(=O)N)cc1)Cc2ccccc2,CC(C)N(CC(O)COc1ccc(CC(=O)N)cc1)Cc2ccccc2,"InChI=1/C21H28N2O3/c1-16(2)23(13-18-6-4-3-5-7-18)14-19(24)15-26-20-10-8-17(9-11-20)12-21(22)25/h3-11,16,19,24H,12-15H2,1-2H3,(H2,22,25)",C21H28N2O3,,,,,,CLOYEMVSCVWBME-UHFFFAOYSA-N,,,,,,,,,,,
100.080.025,288-058-5,85650-50-6,"cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate","[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)OCC2COC(Cn3ccnc3)(O2)c4ccc(Cl)cc4Cl,Cc1ccc(cc1)S(=O)(=O)OCC2COC(Cn3ccnc3)(O2)c4ccc(Cl)cc4Cl,"InChI=1/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3",C21H20Cl2N2O5S,,,,,,WAXNIYHZFWRPGS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.030,288-063-2,85650-55-1,"cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole maleate","5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole but-2-enedioate",CN1C[C@@H]2[C@H](C1)c3ccccc3Oc4ccc(Cl)cc24.OC(=O)\\C=C/C(=O)O,CN1C[C@@H]2[C@H](C1)c3ccccc3Oc4ccc(Cl)cc24.OC(=O)\C=C/C(=O)O,"InChI=1/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)",C17H16ClNO.C4H4O4,,,,,,GMDCDXMAFMEDAG-MRBIQUNFSA-N,,,,,,,,,,,
100.080.053,288-088-9,85650-79-9,"Disodium 2,2'-[(2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[imino(methyl-p-phenylene)imino]]bis[5-nitrobenzenesulphonate]","disodium 2,2'-{(2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[imino(3-methyl-4,1-phenylene)imino]}bis(5-nitrobenzenesulfonate)",[Na+].[Na+].CC1=C(Nc2ccc(Nc3ccc(cc3S(=O)(=O)[O-])[N+](=O)[O-])cc2C)C(=O)C=C(Nc4ccc(Nc5ccc(cc5S(=O)(=O)[O-])[N+](=O)[O-])cc4C)C1=O,[Na+].[Na+].CC1=C(Nc2ccc(Nc3ccc(cc3S(=O)(=O)[O-])[N+](=O)[O-])cc2C)C(=O)C=C(Nc4ccc(Nc5ccc(cc5S(=O)(=O)[O-])[N+](=O)[O-])cc4C)C1=O,"InChI=1/C33H28N6O12S2.2Na/c1-17-12-20(34-26-10-6-22(38(42)43)14-30(26)52(46,47)48)4-8-24(17)36-28-16-29(40)32(19(3)33(28)41)37-25-9-5-21(13-18(25)2)35-27-11-7-23(39(44)45)15-31(27)53(49,50)51;;/h4-16,34-37H,1-3H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2",C33H28N6O12S2.2Na,,,,,,VRPJENJYLNCBDC-UHFFFAOYSA-L,,,,,,,,,,,
100.080.062,288-098-3,85650-88-0,1-(carboxylatomethyl)methylpyridinium,3-pyridinium-1-ylpropanoate,[O-]C(=O)CC[n+]1ccccc1,[O-]C(=O)CC[n+]1ccccc1,"InChI=1/C8H9NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2",C8H9NO2,,,,,,YERVJCPKZCIOLR-UHFFFAOYSA-N,,,,,,,,,,,
100.080.073,288-110-7,85661-27-4,2-chlorocyclohexyl chloroformate,2-chlorocyclohexyl chlorocarbonate,ClC1CCCCC1OC(=O)Cl,ClC1CCCCC1OC(=O)Cl,"InChI=1/C7H10Cl2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6H,1-4H2",C7H10Cl2O2,,,,,,GBMUPGVVEAHZSD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.075,288-112-8,85661-29-6,"[3-allyloxy-2,2-bis(allyloxymethyl)propyl] hydrogen maleate","4-{3-(allyloxy)-2,2-bis[(allyloxy)methyl]propoxy}-4-oxobut-2-enoic acid",OC(=O)\\C=C/C(=O)OCC(COCC=C)(COCC=C)COCC=C,OC(=O)\C=C/C(=O)OCC(COCC=C)(COCC=C)COCC=C,"InChI=1/C18H26O7/c1-4-9-22-12-18(13-23-10-5-2,14-24-11-6-3)15-25-17(21)8-7-16(19)20/h4-8H,1-3,9-15H2,(H,19,20)",C18H26O7,,,,,,KNDUUGQODQGFMG-FPLPWBNLSA-N,,,,,,,,,,,
100.080.103,288-143-7,85665-54-9,"3,5-bis(benzyl)pyridine","3,5-dibenzylpyridine",C(c1ccccc1)c2cncc(Cc3ccccc3)c2,C(c1ccccc1)c2cncc(Cc3ccccc3)c2,"InChI=1/C19H17N/c1-3-7-16(8-4-1)11-18-13-19(15-20-14-18)12-17-9-5-2-6-10-17/h1-10,13-15H,11-12H2",C19H17N,,,,,,DZTRFEMKGXEPBX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.104,288-144-2,85665-55-0,"4,6-dichloro-1,3,5-triazine-2(1H)-thione","4,6-dichloro-1,3,5-triazine-2(1H)-thione",ClC1=NC(=NC(=S)N1)Cl,ClC1=NC(=NC(=S)N1)Cl,"InChI=1/C3HCl2N3S/c4-1-6-2(5)8-3(9)7-1/h(H,6,7,8,9)",C3HCl2N3S,,,,,,PVYNQUCHNJGHBG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.173,287-120-9,85409-51-4,"Disodium 8-[[5-anilinosulphonyl-2-methylphenyl]azo]-7-hydroxynaphthalene-1,3-disulphonate","disodium 7-hydroxy-8-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-1,3-disulfonate",[Na+].[Na+].O=S(=O)(Nc1ccccc1)c4cc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc4,[Na+].[Na+].O=S(=O)(Nc1ccccc1)c4cc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc4,"InChI=1/C23H19N3O9S3.2Na/c1-14-7-9-17(36(28,29)26-16-5-3-2-4-6-16)12-19(14)24-25-23-20(27)10-8-15-11-18(37(30,31)32)13-21(22(15)23)38(33,34)35;;/h2-13,26-27H,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C23H19N3O9S3.2Na,,,,,,VTPJKWZZLUVOPP-UHFFFAOYSA-L,,,,,,,,,,,
100.079.174,287-121-4,85409-52-5,"8-[[5-anilinosulphonyl-2-methylphenyl]azo]-7-hydroxynaphthalene-1,3-disulphonic acid","7-hydroxy-8-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-1,3-disulfonic acid",O=S(=O)(Nc1ccccc1)c4cc(N=Nc2c3c(ccc2O)cc(cc3S(O)(=O)=O)S(O)(=O)=O)c(C)cc4,O=S(=O)(Nc1ccccc1)c4cc(N=Nc2c3c(ccc2O)cc(cc3S(O)(=O)=O)S(O)(=O)=O)c(C)cc4,"InChI=1/C23H19N3O9S3/c1-14-7-9-17(36(28,29)26-16-5-3-2-4-6-16)12-19(14)24-25-23-20(27)10-8-15-11-18(37(30,31)32)13-21(22(15)23)38(33,34)35/h2-13,26-27H,1H3,(H,30,31,32)(H,33,34,35)",C23H19N3O9S3,,,,,,BFOCEYMSLGHCAB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.883,289-003-8,85959-13-3,"4-(phenylmethyl)[1,1'-biphenyl]-2-ol",4-benzylbiphenyl-2-ol,Oc1cc(Cc2ccccc2)ccc1c3ccccc3,Oc1cc(Cc2ccccc2)ccc1c3ccccc3,"InChI=1/C19H16O/c20-19-14-16(13-15-7-3-1-4-8-15)11-12-18(19)17-9-5-2-6-10-17/h1-12,14,20H,13H2",C19H16O,,,,,,YQDDPPZDVUUXOW-UHFFFAOYSA-N,,,,,,,,,,,
100.080.894,289-015-3,85959-24-6,"Disodium 7-[[2,4-dihydroxy-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate","disodium 7-{[2,4-dihydroxy-5-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate",[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2)N=Nc4cc5cc(cc(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2)N=Nc4cc5cc(cc(O)c5cc4)S([O-])(=O)=O,"InChI=1/C28H20N6O9S2.2Na/c35-26-13-22(45(41,42)43)12-16-11-20(7-10-23(16)26)32-34-25-14-24(27(36)15-28(25)37)33-31-18-3-1-17(2-4-18)29-30-19-5-8-21(9-6-19)44(38,39)40;;/h1-15,35-37H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C28H20N6O9S2.2Na,,,,,,LBJBLMVXDSVDBJ-UHFFFAOYSA-L,,,,,,,,,,,
100.080.899,289-021-6,85959-29-1,"Tetrasodium 4-amino-5-hydroxy-6-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","tetrasodium 4-amino-5-hydroxy-6-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc4cc(c(C)cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc4cc(c(C)cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C28H29N5O20S6.4Na/c1-15-11-19(20(51-2)14-21(15)55(37,38)10-8-53-59(48,49)50)31-33-27-23(57(42,43)44)13-16-12-22(56(39,40)41)26(25(29)24(16)28(27)34)32-30-17-3-5-18(6-4-17)54(35,36)9-7-52-58(45,46)47;;;;/h3-6,11-14,34H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",C28H29N5O20S6.4Na,,,,,,XFFMTXSFQAZAMM-UHFFFAOYSA-J,,,,,,,,,,,
100.080.901,289-023-7,85959-31-5,"1-[6-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonatoanthryl)amino]-2-sulphonatophenyl]amino]-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-carboxylatopyridinium trisodium chloride","1-[6-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonatoanthryl)amino]-2-sulphonatophenyl]amino]-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-carboxylatopyridinium trisodium chloride",[Na+].[Na+].[Na+].[Cl-].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(NC5=NC(=O)N=C(N5)[n+]6ccc(cc6)C(=O)[O-])c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].[Na+].[Cl-].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(NC5=NC(=O)N=C(N5)[n+]6ccc(cc6)C(=O)[O-])c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C29H19N7O11S2.ClH.3Na/c30-23-20(49(45,46)47)12-18(21-22(23)25(38)16-4-2-1-3-15(16)24(21)37)31-14-5-6-19(48(42,43)44)17(11-14)32-27-33-28(35-29(41)34-27)36-9-7-13(8-10-36)26(39)40;;;;/h1-12H,(H7-,30,31,32,33,34,35,37,38,39,40,41,42,43,44,45,46,47);1H;;;/q;;3*+1/p-3",C29H20N7O11S2.Cl.3Na,,,,,,HUCNESOCZMWPTD-UHFFFAOYSA-K,,,,,,,,,,,
100.080.902,289-024-2,85959-32-6,"N,N-diethyl-4-[[2-methyl-4-[(o-tolyl)azo]phenyl]azo]aniline","N,N-diethyl-4-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)aniline",CCN(CC)c3ccc(N=Nc1ccc(cc1C)N=Nc2ccccc2C)cc3,CCN(CC)c3ccc(N=Nc1ccc(cc1C)N=Nc2ccccc2C)cc3,"InChI=1/C24H27N5/c1-5-29(6-2)22-14-11-20(12-15-22)25-28-24-16-13-21(17-19(24)4)26-27-23-10-8-7-9-18(23)3/h7-17H,5-6H2,1-4H3",C24H27N5,,,,,,ZDSWNHTYYUFKPX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.903,289-025-8,85959-33-7,N-ethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]aniline,N-ethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]aniline,CCN(CCn1ccnc1C)c2ccccc2,CCN(CCn1ccnc1C)c2ccccc2,"InChI=1/C14H19N3/c1-3-16(14-7-5-4-6-8-14)11-12-17-10-9-15-13(17)2/h4-10H,3,11-12H2,1-2H3",C14H19N3,,,,,,YQMJEAFUKUYATB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.904,289-026-3,85959-34-8,Disodium 8-[(4-chlorophenyl)azo]-5-[[4-[ethyl[(3-sulphonatophenyl)methyl]amino]phenyl]azo]naphthalene-2-sulphonate,disodium 8-[(4-chlorophenyl)diazenyl]-5-({4-[ethyl(3-sulfonatobenzyl)amino]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].Clc5ccc(N=Nc4ccc(N=Nc1ccc(cc1)N(Cc2cccc(c2)S([O-])(=O)=O)CC)c3ccc(cc34)S([O-])(=O)=O)cc5,[Na+].[Na+].Clc5ccc(N=Nc4ccc(N=Nc1ccc(cc1)N(Cc2cccc(c2)S([O-])(=O)=O)CC)c3ccc(cc34)S([O-])(=O)=O)cc5,"InChI=1/C31H26ClN5O6S2.2Na/c1-2-37(20-21-4-3-5-26(18-21)44(38,39)40)25-12-10-24(11-13-25)34-35-30-16-17-31(36-33-23-8-6-22(32)7-9-23)29-19-27(45(41,42)43)14-15-28(29)30;;/h3-19H,2,20H2,1H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C31H26ClN5O6S2.2Na,,,,,,BDAGTKYPEOVSDT-UHFFFAOYSA-L,,,,,,,,,,,
100.093.034,302-384-8,94108-44-8,1-docosyl-5-oxopyrrolidine-3-carboxylic acid,1-docosyl-5-oxopyrrolidine-3-carboxylic acid,CCCCCCCCCCCCCCCCCCCCCCN1CC(CC1=O)C(=O)O,CCCCCCCCCCCCCCCCCCCCCCN1CC(CC1=O)C(=O)O,"InChI=1/C27H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-24-25(27(30)31)23-26(28)29/h25H,2-24H2,1H3,(H,30,31)",C27H51NO3,,,,,,NSLDDIQOCNOPTR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.035,302-385-3,94108-45-9,1-(docos-13-enyl)-5-oxopyrrolidine-3-carboxylic acid,1-docos-13-en-1-yl-5-oxopyrrolidine-3-carboxylic acid,OC(=O)C1CC(=O)N(CCCCCCCCCCCCC=CCCCCCCCC)C1,OC(=O)C1CC(=O)N(CCCCCCCCCCCCC=CCCCCCCCC)C1,"InChI=1/C27H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-24-25(27(30)31)23-26(28)29/h9-10,25H,2-8,11-24H2,1H3,(H,30,31)",C27H49NO3,,,,,,CDCVCKDFKJKQJN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.037,302-387-4,94108-47-1,N-[3-[(aminocarbonyl)amino]phenyl]-3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]naphthalene-2-carboxamide,N-[3-(carbamoylamino)phenyl]-3-hydroxy-4-[(4-methyl-2-nitrophenyl)diazenyl]-2-naphthamide,NC(=O)Nc1cc(ccc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(C)cc3[N+]([O-])=O)c4O,NC(=O)Nc1cc(ccc1)NC(=O)c4cc2ccccc2c(N=Nc3ccc(C)cc3[N+]([O-])=O)c4O,"InChI=1/C25H20N6O5/c1-14-9-10-20(21(11-14)31(35)36)29-30-22-18-8-3-2-5-15(18)12-19(23(22)32)24(33)27-16-6-4-7-17(13-16)28-25(26)34/h2-13,32H,1H3,(H,27,33)(H3,26,28,34)",C25H20N6O5,,,,,,DCXYWOIHDVPNQU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.039,302-390-0,94108-49-3,"Azelaic acid, compound with 2-aminoethanol (1:2)",nonanedioic acid - 2-aminoethanol (1:2),NCCO.NCCO.OC(=O)CCCCCCCC(=O)O,NCCO.NCCO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.2C2H7NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*3-1-2-4/h1-7H2,(H,10,11)(H,12,13);2*4H,1-3H2",C9H16O4.2C2H7NO,,,,,,AMKDJHBIUBRITP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.040,302-391-6,94108-50-6,Lithium 7-methyloctanoate,lithium 7-methyloctanoate,[Li+].CC(C)CCCCCC(=O)[O-],[Li+].CC(C)CCCCCC(=O)[O-],"InChI=1/C9H18O2.Li/c1-8(2)6-4-3-5-7-9(10)11;/h8H,3-7H2,1-2H3,(H,10,11);/q;+1/p-1",C9H18O2.Li,,,,,,CTAKQHPOILPIRW-UHFFFAOYSA-M,,,,,,,,,,,
100.093.043,302-394-2,94108-53-9,"Methyl 2-[[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]amino]benzoate","methyl 2-{[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]amino}benzoate",COC(=O)c2ccccc2N=CCC1C\\C=C(\\C)C1(C)C,COC(=O)c2ccccc2N=CCC1C\C=C(\C)C1(C)C,"InChI=1/C18H23NO2/c1-13-9-10-14(18(13,2)3)11-12-19-16-8-6-5-7-15(16)17(20)21-4/h5-9,12,14H,10-11H2,1-4H3",C18H23NO2,,,,,,LPLMQHGEVCUOSL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.049,302-401-9,94108-60-8,Betaine a-D-glucofuranuronate,-,C[N+](C)(C)CC(=O)[O-].O[C@@H]([C@H]1O[C@H](O)[C@H](O)[C@H]1O)C(=O)[O-],C[N+](C)(C)CC(=O)[O-].O[C@@H]([C@H]1O[C@H](O)[C@H](O)[C@H]1O)C(=O)[O-],"InChI=1/C6H10O7.C5H11NO2/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;1-6(2,3)4-5(7)8/h1-4,6-9,12H,(H,10,11);4H2,1-3H3/p-1",C6H9O7.C5H12NO2,,,,,,QPYCRBIYNBYSDQ-JETIKSQDSA-M,,,,,,,,,,,
100.093.050,302-402-4,94108-62-0,"a-D-glucofuranuronic acid, compound with 2,2'-iminobis[ethanol] (1:1)","2,2'-iminodiethanol - alpha-D-glucofuranuronic acid (1:1)",OCCNCCO.O[C@@H]([C@H]1O[C@H](O)[C@H](O)[C@H]1O)C(=O)O,OCCNCCO.O[C@@H]([C@H]1O[C@H](O)[C@H](O)[C@H]1O)C(=O)O,"InChI=1/C6H10O7.C4H11NO2/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;6-3-1-5-2-4-7/h1-4,6-9,12H,(H,10,11);5-7H,1-4H2",C6H10O7.C4H11NO2,,,,,,WEHFQARCVNRHKK-JETIKSQDSA-N,,,,,,,,,,,
100.093.056,302-409-2,94108-70-0,"1,4-anhydro-D-glucitol 3,5,6-triacetate","3,5,6-tri-O-acetyl-1,4-anhydro-D-glucitol",CC(=O)OC[C@@H](OC(=O)C)[C@H]1OC[C@H](O)[C@H]1OC(=O)C,CC(=O)OC[C@@H](OC(=O)C)[C@H]1OC[C@H](O)[C@H]1OC(=O)C,"InChI=1/C12H18O8/c1-6(13)17-5-10(19-7(2)14)12-11(20-8(3)15)9(16)4-18-12/h9-12,16H,4-5H2,1-3H3",C12H18O8,,,,,,MOTDKJOPTZYSEJ-IRCOFANPSA-N,,,,,,,,,,,
100.093.057,302-410-8,94108-71-1,"D-glucitol 1,3,4,5,6-pentalaurate","1,3,4,5,6-penta-O-dodecanoyl-D-glucitol",CCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1/C66H124O11/c1-6-11-16-21-26-31-36-41-46-51-60(68)73-56-58(67)65(76-63(71)54-49-44-39-34-29-24-19-14-9-4)66(77-64(72)55-50-45-40-35-30-25-20-15-10-5)59(75-62(70)53-48-43-38-33-28-23-18-13-8-3)57-74-61(69)52-47-42-37-32-27-22-17-12-7-2/h58-59,65-67H,6-57H2,1-5H3",C66H124O11,,,,,,SIEDUZNVHFJQQF-LVOMGTGVSA-N,,,,,,,,,,,
100.093.062,302-416-0,94108-78-8,Ethyl 5-(ethylsulphonyl)-o-anisate,ethyl 5-(ethylsulfonyl)-2-methoxybenzoate,CCOC(=O)c1cc(ccc1OC)S(=O)(=O)CC,CCOC(=O)c1cc(ccc1OC)S(=O)(=O)CC,"InChI=1/C12H16O5S/c1-4-17-12(13)10-8-9(18(14,15)5-2)6-7-11(10)16-3/h6-8H,4-5H2,1-3H3",C12H16O5S,,,,,,HOFKFECQUOZJFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.139,298-100-4,93777-67-4,"N-[2-(diethylamino)ethyl]-a-[(2,4,5-trimethoxyphenyl)methylene]phenylacetamide monohydrochloride","N-[2-(diethylamino)ethyl]-2-phenyl-3-(2,4,5-trimethoxyphenyl)acrylamide hydrochloride",Cl.COc1cc(OC)c(cc1OC)C=C(c2ccccc2)C(=O)NCCN(CC)CC,Cl.COc1cc(OC)c(cc1OC)C=C(c2ccccc2)C(=O)NCCN(CC)CC,"InChI=1/C24H32N2O4.ClH/c1-6-26(7-2)14-13-25-24(27)20(18-11-9-8-10-12-18)15-19-16-22(29-4)23(30-5)17-21(19)28-3;/h8-12,15-17H,6-7,13-14H2,1-5H3,(H,25,27);1H",C24H32N2O4.ClH,,,,,,WGYHILCUZAUZAB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.814,302-142-1,94094-41-4,"3,8-dinitro-6-phenylphenanthridinium chloride","3,8-dinitro-6-phenylphenanthridinium chloride",[Cl-].[O-][N+](=O)c1ccc2c(c1)[nH+]c(c3ccccc3)c4cc(ccc24)[N+](=O)[O-],[Cl-].[O-][N+](=O)c1ccc2c(c1)[nH+]c(c3ccccc3)c4cc(ccc24)[N+](=O)[O-],InChI=1/C19H11N3O4.ClH/c23-21(24)13-6-8-15-16-9-7-14(22(25)26)11-18(16)20-19(17(15)10-13)12-4-2-1-3-5-12;/h1-11H;1H,C19H11N3O4.ClH,,,,,,GBUAJSFEZBCPII-UHFFFAOYSA-N,,,,,,,,,,,
100.092.839,302-169-9,94094-68-5,N-(4-butylphenyl)-4-[(2-chlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide,N-(4-butylphenyl)-4-[(2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide,Clc4ccccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(CCCC)cc1)c2O,Clc4ccccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccc(CCCC)cc1)c2O,"InChI=1/C27H24ClN3O2/c1-2-3-8-18-13-15-20(16-14-18)29-27(33)22-17-19-9-4-5-10-21(19)25(26(22)32)31-30-24-12-7-6-11-23(24)28/h4-7,9-17,32H,2-3,8H2,1H3,(H,29,33)",C27H24ClN3O2,,,,,,OKWOBPOJPZEQBW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.843,302-174-6,94094-72-1,N-benzylphenethylammonium diacetate,N-benzylphenethylammonium diacetate,CC(=O)[O-].CC(=O)[O-].[NH3+]CCc1ccccc1Cc2ccccc2.[NH3+]CCc3ccccc3Cc4ccccc4,CC(=O)[O-].CC(=O)[O-].[NH3+]CCc1ccccc1Cc2ccccc2.[NH3+]CCc3ccccc3Cc4ccccc4,"InChI=1/2C15H17N.2C2H4O2/c2*16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13;2*1-2(3)4/h2*1-9H,10-12,16H2;2*1H3,(H,3,4)",C15H17N.2C2H4O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16716,https://echa.europa.eu/substance-information/-/substanceinfo/100.092.843,BRQKFJGTYNBBAF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.848,302-179-3,94094-77-6,"(4,5-dihydro-4,6-dimethyl-5-methylene-1,2,4-triazin-3-yl)urea","1-(4,6-dimethyl-5-methylene-4,5-dihydro-1,2,4-triazin-3-yl)urea",CN1C(=NN=C(C)C1=C)NC(=O)N,CN1C(=NN=C(C)C1=C)NC(=O)N,"InChI=1/C7H11N5O/c1-4-5(2)12(3)7(11-10-4)9-6(8)13/h2H2,1,3H3,(H3,8,9,11,13)",C7H11N5O,,,,,,XWSPLWILLHLSHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.884,298-920-2,93840-55-2,N-(3-aminopropyl)-N-decyl-D-gluconamide,"N-(3-aminopropyl)-N-decyl-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C19H40N2O6/c1-2-3-4-5-6-7-8-9-12-21(13-10-11-20)19(27)18(26)17(25)16(24)15(23)14-22/h15-18,22-26H,2-14,20H2,1H3",C19H40N2O6,,,,,,QXICZCCFBIIBQH-ZJPYXAASSA-N,,,,,,,,,,,
100.089.894,298-931-2,93840-66-5,6-methylheptyl 4-(chloro-2-methylphenoxy)butyrate,"6-methylheptyl 4-[(6-chloro-6-methylcyclohexa-2,4-dien-1-yl)oxy]butanoate",CC(C)CCCCCOC(=O)CCCOC1C=CC=CC1(C)Cl,CC(C)CCCCCOC(=O)CCCOC1C=CC=CC1(C)Cl,"InChI=1/C19H31ClO3/c1-16(2)10-5-4-8-14-23-18(21)12-9-15-22-17-11-6-7-13-19(17,3)20/h6-7,11,13,16-17H,4-5,8-10,12,14-15H2,1-3H3",C19H29ClO3,,,,,,MQIHUCIITVRWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.089.896,298-933-3,93840-68-7,2-isopropyl-1H-imidazole sulphate,2-isopropyl-1H-imidazole sulfate,CC(C)c1ncc[nH]1.OS(=O)(=O)O,CC(C)c1ncc[nH]1.OS(=O)(=O)O,"InChI=1/C6H10N2.H2O4S/c1-5(2)6-7-3-4-8-6;1-5(2,3)4/h3-5H,1-2H3,(H,7,8);(H2,1,2,3,4)",C6H10N2.xH2O4S,,,,,,XFLFLNPCZYCVHA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.897,298-934-9,93840-69-8,2-hydroxyhexacosyl 12-hydroxyoctadecanoate,2-hydroxyhexacosyl 12-hydroxyoctadecanoate,CCCCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C44H88O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-35-39-43(46)41-48-44(47)40-36-32-29-26-25-27-30-34-38-42(45)37-33-8-6-4-2/h42-43,45-46H,3-41H2,1-2H3",C44H88O4,,,,,,VIALDFXTEOLLGO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.899,298-937-5,93840-71-2,2-hydroxyoctacosyl 12-hydroxyoctadecanoate,2-hydroxyoctacosyl 12-hydroxyoctadecanoate,CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC,CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)COC(=O)CCCCCCCCCCC(O)CCCCCC,"InChI=1/C46H92O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-33-37-41-45(48)43-50-46(49)42-38-34-31-28-27-29-32-36-40-44(47)39-35-8-6-4-2/h44-45,47-48H,3-43H2,1-2H3",C46H92O4,,,,,,GDHWAMVEOAWHIM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.111,299-169-3,93857-36-4,"Benzenesulphonic acid, compound with 2-anilinoethanol (1:1)",2-anilinoethanol benzenesulfonate (salt),OCCNc1ccccc1.OS(=O)(=O)c2ccccc2,OCCNc1ccccc1.OS(=O)(=O)c2ccccc2,"InChI=1/C8H11NO.C6H6O3S/c10-7-6-9-8-4-2-1-3-5-8;7-10(8,9)6-4-2-1-3-5-6/h1-5,9-10H,6-7H2;1-5H,(H,7,8,9)",C8H11NO.C6H6O3S,,,,,,FJIRJJVJTINMQF-UHFFFAOYSA-N,,,,,,,,,,,
100.090.114,299-173-5,93857-39-7,"Benzenesulphonic acid, compound with 2-(dimethylamino)ethanol (1:1)",2-(dimethylamino)ethanol benzenesulfonate (salt),CN(C)CCO.OS(=O)(=O)c1ccccc1,CN(C)CCO.OS(=O)(=O)c1ccccc1,"InChI=1/C6H6O3S.C4H11NO/c7-10(8,9)6-4-2-1-3-5-6;1-5(2)3-4-6/h1-5H,(H,7,8,9);6H,3-4H2,1-2H3",C6H6O3S.C4H11NO,,,,,,VNXFIDYJVWELSR-UHFFFAOYSA-N,,,,,,,,,,,
100.090.117,299-176-1,93857-42-2,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl dihydrogen phosphate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl dihydrogen phosphate",OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C17H6F31O4P/c18-3(19,1-2-52-53(49,50)51)5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)14(39,40)12(35,36)10(31,32)8(27,28)6(23,24)4(20,16(43,44)45)17(46,47)48/h1-2H2,(H2,49,50,51)",C17H6F31O4P,,,,,,JXRICVNTWCQEIT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.105,288-145-8,85665-56-1,"2,4-dichloro-6-(decyloxy)-1,3,5-triazine","2,4-dichloro-6-(decyloxy)-1,3,5-triazine",CCCCCCCCCCOc1nc(Cl)nc(Cl)n1,CCCCCCCCCCOc1nc(Cl)nc(Cl)n1,"InChI=1/C13H21Cl2N3O/c1-2-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15)18-13/h2-10H2,1H3",C13H21Cl2N3O,,,,,,VBONADQAUSIQTL-UHFFFAOYSA-N,,,,,,,,,,,
100.080.107,288-147-9,85665-58-3,"2,4-dipropyl-1,3-dioxolane","2,4-dipropyl-1,3-dioxolane",CCCC1COC(CCC)O1,CCCC1COC(CCC)O1,"InChI=1/C9H18O2/c1-3-5-8-7-10-9(11-8)6-4-2/h8-9H,3-7H2,1-2H3",C9H18O2,,,,,,BMIAHVTUYOZZGB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.110,288-151-0,85665-61-8,"7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl](phenylmethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride","7-(2-{benzyl[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride",Cl.CN1C(=O)N(C)c2ncn(CCN(CC(=O)c3ccc(O)c(O)c3)Cc4ccccc4)c2C1=O,Cl.CN1C(=O)N(C)c2ncn(CCN(CC(=O)c3ccc(O)c(O)c3)Cc4ccccc4)c2C1=O,"InChI=1/C24H25N5O5.ClH/c1-26-22-21(23(33)27(2)24(26)34)29(15-25-22)11-10-28(13-16-6-4-3-5-7-16)14-20(32)17-8-9-18(30)19(31)12-17;/h3-9,12,15,30-31H,10-11,13-14H2,1-2H3;1H",C24H25N5O5.ClH,,,,,,MMEIKUJPOXZQFE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.111,288-152-6,85665-62-9,"Oxiranylmethyl [[1,3,3-trimethyl-5-[[(oxiranylmethoxy)carbonyl]amino]cyclohexyl]methyl]carbamate","oxiran-2-ylmethyl [(1,3,3-trimethyl-5-{[(oxiran-2-ylmethoxy)carbonyl]amino}cyclohexyl)methyl]carbamate",CC1(C)CC(CC(C)(CNC(=O)OCC2CO2)C1)NC(=O)OCC3CO3,CC1(C)CC(CC(C)(CNC(=O)OCC2CO2)C1)NC(=O)OCC3CO3,"InChI=1/C18H30N2O6/c1-17(2)4-12(20-16(22)26-9-14-7-24-14)5-18(3,10-17)11-19-15(21)25-8-13-6-23-13/h12-14H,4-11H2,1-3H3,(H,19,21)(H,20,22)",C18H30N2O6,,,,,,USUOJGZXTMKLFM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.121,288-163-6,85665-72-1,"N,N'-dibutyl-N-[4-[butyl(2,2,6,6-tetramethyl-4-piperidyl)amino]-6-chloro-1,3,5-triazin-2-yl]-6-chloro-N'-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine","N,N'-dibutyl-N-{4-[butyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-chloro-1,3,5-triazin-2-yl}-6-chloro-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine",CCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(Cl)nc(n2)N(CCCC)c3nc(Cl)nc(n3)N(CCCC)C4CC(C)(C)NC(C)(C)C4,CCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(Cl)nc(n2)N(CCCC)c3nc(Cl)nc(n3)N(CCCC)C4CC(C)(C)NC(C)(C)C4,"InChI=1/C36H63Cl2N11/c1-12-15-18-47(25-21-33(4,5)45-34(6,7)22-25)29-39-27(37)41-31(43-29)49(20-17-14-3)32-42-28(38)40-30(44-32)48(19-16-13-2)26-23-35(8,9)46-36(10,11)24-26/h25-26,45-46H,12-24H2,1-11H3",C36H63Cl2N11,,,,,,UDPMLRCYSXMNNA-UHFFFAOYSA-N,,,,,,,,,,,
100.083.417,291-793-4,90480-58-3,"Octanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCC(=O)[O-],[Zn+2].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Zn/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+2/p-1",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11214,https://echa.europa.eu/substance-information/-/substanceinfo/100.083.417,JBCJMTUHAXHILC-UHFFFAOYSA-M,,,,,,,,,,,
100.079.898,287-918-7,85614-33-1,Calcium tris(1-methylethyl)naphthalenesulphonate,"calcium bis(2,3,4-triisopropylnaphthalene-1-sulfonate)",[Ca+2].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-].CC(C)c3c(C(C)C)c(c4ccccc4c3C(C)C)S(=O)(=O)[O-],[Ca+2].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-].CC(C)c3c(C(C)C)c(c4ccccc4c3C(C)C)S(=O)(=O)[O-],"InChI=1/2C19H26O3S.Ca/c2*1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h2*7-13H,1-6H3,(H,20,21,22);/q;;+2/p-2",C19H26O3S.1/2Ca,,,,,,VODKAEOYQCMHAA-UHFFFAOYSA-L,,,,,,,,,,,
100.079.899,287-919-2,85614-34-2,Aluminium tris[tris(1-methylethyl)naphthalenesulphonate],"aluminum tris(2,3,4-triisopropylnaphthalene-1-sulfonate)",[Al+3].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-].CC(C)c3c(C(C)C)c(c4ccccc4c3C(C)C)S(=O)(=O)[O-].CC(C)c5c(C(C)C)c(c6ccccc6c5C(C)C)S(=O)(=O)[O-],[Al+3].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-].CC(C)c3c(C(C)C)c(c4ccccc4c3C(C)C)S(=O)(=O)[O-].CC(C)c5c(C(C)C)c(c6ccccc6c5C(C)C)S(=O)(=O)[O-],"InChI=1/3C19H26O3S.Al/c3*1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h3*7-13H,1-6H3,(H,20,21,22);/q;;;+3/p-3",C19H26O3S.1/3Al,,,,,,RXOMEIOGUUGIDP-UHFFFAOYSA-K,,,,,,,,,,,
100.080.375,288-443-8,85721-31-9,"3-(N-benzyl-N-ethylamino)propane-1,2-diol","3-[benzyl(ethyl)amino]propane-1,2-diol",CCN(CC(O)CO)Cc1ccccc1,CCN(CC(O)CO)Cc1ccccc1,"InChI=1/C12H19NO2/c1-2-13(9-12(15)10-14)8-11-6-4-3-5-7-11/h3-7,12,14-15H,2,8-10H2,1H3",C12H19NO2,,,,,,BITYXLZZFQSMRP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.913,287-934-4,85614-48-8,Isopropyl a-cyclohexylthiophen-3-acetate,isopropyl cyclohexyl(3-thienyl)acetate,CC(C)OC(=O)C(C1CCCCC1)c2ccsc2,CC(C)OC(=O)C(C1CCCCC1)c2ccsc2,"InChI=1/C15H22O2S/c1-11(2)17-15(16)14(13-8-9-18-10-13)12-6-4-3-5-7-12/h8-12,14H,3-7H2,1-2H3",C15H22O2S,,,,,,NXLPGUAUJVEXTR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.917,287-939-1,85614-52-4,Methyl 4-hydroxy-2-oxopyrrolidine-1-acetate,methyl (4-hydroxy-2-oxopyrrolidin-1-yl)acetate,COC(=O)CN1CC(O)CC1=O,COC(=O)CN1CC(O)CC1=O,"InChI=1/C7H11NO4/c1-12-7(11)4-8-3-5(9)2-6(8)10/h5,9H,2-4H2,1H3",C7H11NO4,,,,,,YLLVYVFTLNSJMR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.919,287-941-2,85614-54-6,"2,4-dioxopyrrolidine-1-acetamide","2-(2,4-dioxopyrrolidin-1-yl)acetamide",NC(=O)CN1CC(=O)CC1=O,NC(=O)CN1CC(=O)CC1=O,"InChI=1/C6H8N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h1-3H2,(H2,7,10)",C6H8N2O3,,,,,,JPVVDKWRORWDAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.083.482,291-865-5,90482-62-5,"3,4-epoxyoctane",2-butyl-3-ethyloxirane,CCCCC1OC1CC,CCCCC1OC1CC,"InChI=1/C8H16O/c1-3-5-6-8-7(4-2)9-8/h7-8H,3-6H2,1-2H3",C8H16O,,,,,,QKHUXWLXTLMABH-UHFFFAOYSA-N,,,,,,,,,,,
100.080.909,289-032-6,85959-39-3,Rubidium 5-oxo-DL-prolinate,rubidium 5-oxopyrrolidine-2-carboxylate,[Rb+].[O-]C(=O)[C@@H]1CCC(=O)N1,[Rb+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.Rb/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.Rb,,,,,,RGRBEEBQJAGAON-DFWYDOINSA-M,,,,,,,,,,,
100.080.910,289-033-1,85959-40-6,Rubidium 5-oxo-L-prolinate,rubidium 5-oxopyrrolidine-2-carboxylate,[Rb+].[O-]C(=O)[C@@H]1CCC(=O)N1,[Rb+].[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.Rb/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1",C5H7NO3.Rb,,,,,,RGRBEEBQJAGAON-DFWYDOINSA-M,,,,,,,,,,,
100.080.915,289-038-9,85959-45-1,Calcium bis(5-oxo-DL-prolinate),calcium bis(5-oxopyrrolidine-2-carboxylate),[Ca+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[Ca+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.Ca/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2",C5H7NO3.1/2Ca,,,,,,YQFZERWESBDNRJ-QHTZZOMLSA-L,,,,,,,,,,,
100.079.181,287-129-8,85409-59-2,"Disodium 2-[[1-[3-[[(2-carboxylatophenyl)amino]sulphonyl]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate","disodium 2-{[(3-{4-[(2-carboxylatophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]amino}benzoate",[Na+].[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccccc2C([O-])=O)C3=O,[Na+].[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccccc2C([O-])=O)C3=O,"InChI=1/C24H19N5O7S.2Na/c1-14-21(26-25-19-11-4-2-9-17(19)23(31)32)22(30)29(27-14)15-7-6-8-16(13-15)37(35,36)28-20-12-5-3-10-18(20)24(33)34;;/h2-13,21,28H,1H3,(H,31,32)(H,33,34);;/q;2*+1/p-2",C24H19N5O7S.2Na,,,,,,XQAOJBQGROMXIK-UHFFFAOYSA-L,,,,,,,,,,,
100.079.192,287-141-3,85409-71-8,"1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[[2-[3-[2-(phenylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]azo]nicotinonitrile","5-[(2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}phenyl)diazenyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",C\\C4=C(/C#N)C(=O)NC(\\O)=C4\\N=Nc3ccccc3c2nc(CCOCc1ccccc1)no2,C\C4=C(/C#N)C(=O)NC(\O)=C4\N=Nc3ccccc3c2nc(CCOCc1ccccc1)no2,"InChI=1/C24H20N6O4/c1-15-18(13-25)22(31)27-23(32)21(15)29-28-19-10-6-5-9-17(19)24-26-20(30-34-24)11-12-33-14-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H2,27,31,32)",C24H20N6O4,,,,,,PYHOAIJLCCSEKN-UHFFFAOYSA-N,,,,,,,,,,,
100.079.198,287-148-1,85409-77-4,"Phosphoric acid, hexyl ester, compd. with 2,2'-iminobis[ethanol]","hexyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCCCCCOP(=O)(O)O.OCCNCCO,CCCCCCOP(=O)(O)O.OCCNCCO,"InChI=1/C6H15O4P.C4H11NO2/c1-2-3-4-5-6-10-11(7,8)9;6-3-1-5-2-4-7/h2-6H2,1H3,(H2,7,8,9);5-7H,1-4H2",-,,,,,,OIOCSSNGGMUKSB-UHFFFAOYSA-N,,,,,,,,,,,
100.079.199,287-149-7,85409-78-5,"Phosphoric acid, 1-methylethyl ester, compd. with 2,2'-iminobis[ethanol]","isopropyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CC(C)OP(=O)(O)O.OCCNCCO,CC(C)OP(=O)(O)O.OCCNCCO,"InChI=1/C4H11NO2.C3H9O4P/c6-3-1-5-2-4-7;1-3(2)7-8(4,5)6/h5-7H,1-4H2;3H,1-2H3,(H2,4,5,6)",-,,,,,,DSWATJGIHQJTRS-UHFFFAOYSA-N,,,,,,,,,,,
100.079.207,287-158-6,85409-86-5,Sodium 3-tridecylbenzenesulphonate,sodium 3-tridecylbenzenesulfonate,[Na+].CCCCCCCCCCCCCc1cccc(c1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCc1cccc(c1)S(=O)(=O)[O-],"InChI=1/C19H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(17-18)23(20,21)22;/h13,15-17H,2-12,14H2,1H3,(H,20,21,22);/q;+1/p-1",C19H32O3S.Na,,,,,,JZJODLWMQNCLHV-UHFFFAOYSA-M,,,,,,,,,,,
100.080.916,289-039-4,85959-46-2,"2,4-bis[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonic acid","2,4-bis({2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)benzenesulfonic acid",Oc4c(ccc(O)c4N=Nc3cc(N=Nc2c(O)ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c2O)ccc3S(O)(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O,Oc4c(ccc(O)c4N=Nc3cc(N=Nc2c(O)ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c2O)ccc3S(O)(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O,"InChI=1/C30H20N10O11S/c41-24-12-10-21(34-31-16-1-6-19(7-2-16)39(45)46)29(43)27(24)37-33-18-5-14-26(52(49,50)51)23(15-18)36-38-28-25(42)13-11-22(30(28)44)35-32-17-3-8-20(9-4-17)40(47)48/h1-15,41-44H,(H,49,50,51)",C30H20N10O11S,,,,,,LACCTZFLEKWPTD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.919,289-043-6,85959-49-5,"2,4-bis[[2,4-diamino-5-[(3-sulphophenyl)azo]phenyl]azo]benzenesulphonic acid","2,4-bis({2,4-diamino-5-[(3-sulfophenyl)diazenyl]phenyl}diazenyl)benzenesulfonic acid",OS(=O)(=O)c1cccc(c1)N=Nc5cc(N=Nc4cc(N=Nc3cc(N=Nc2cccc(c2)S(O)(=O)=O)c(N)cc3N)c(cc4)S(O)(=O)=O)c(N)cc5N,OS(=O)(=O)c1cccc(c1)N=Nc5cc(N=Nc4cc(N=Nc3cc(N=Nc2cccc(c2)S(O)(=O)=O)c(N)cc3N)c(cc4)S(O)(=O)=O)c(N)cc5N,"InChI=1/C30H26N12O9S3/c31-21-12-22(32)26(14-25(21)38-35-16-3-1-5-19(9-16)52(43,44)45)40-37-18-7-8-30(54(49,50)51)29(11-18)42-41-28-15-27(23(33)13-24(28)34)39-36-17-4-2-6-20(10-17)53(46,47)48/h1-15H,31-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)",C30H26N12O9S3,,,,,,LLUVTVMDWWOZPO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.140,298-102-5,93777-68-5,Chlorohydroxybismuthino 3-[N-[4-[[(chlorohydroxybismuthino)-2-thiazolylamino]sulphonyl]phenyl]carbamoyl]propionate,"4-{[chloro(hydroxy)bismuthino]oxy}-N-(4-{[chloro(hydroxy)bismuthino](1,3-thiazol-2-yl)sulfamoyl}phenyl)-4-oxobutanamide",O[Bi](Cl)OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N([Bi](O)Cl)c2nccs2,O[Bi](Cl)OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N([Bi](O)Cl)c2nccs2,"InChI=1/C13H13N3O5S2.2Bi.2ClH.2H2O/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13;;;;;;/h1-4,7-8H,5-6H2,(H3,14,15,16,17,18,19);;;2*1H;2*1H2/q;2*+3;;;;/p-6/rC13H13Bi2Cl2N3O7S2/c16-14(23)20(13-18-7-8-28-13)29(25,26)10-3-1-9(2-4-10)19-11(21)5-6-12(22)27-15(17)24/h1-4,7-8,23-24H,5-6H2,(H,19,21)",C13H13Bi2Cl2N3O7S2,,,,,,YHAQFTGXAVBMJF-UHFFFAOYSA-H,,,,,,,,,,,
100.089.144,298-106-7,93777-72-1,"Octahydro-1,1,3,3-tetramethyl-5H-inden-5-one","1,1,3,3-tetramethyloctahydro-5H-inden-5-one",CC1(C)CC(C)(C)C2CC(=O)CCC12,CC1(C)CC(C)(C)C2CC(=O)CCC12,"InChI=1/C13H22O/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12/h10-11H,5-8H2,1-4H3",C13H22O,,,,,,MSLIBGCBZRDVMN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.146,298-108-8,93777-74-3,"Octahydro-1,1,3-trimethyl-1H-inden-5-ol","1,1,3-trimethyloctahydro-1H-inden-5-ol",CC1CC(C)(C)C2CCC(O)CC12,CC1CC(C)(C)C2CCC(O)CC12,"InChI=1/C12H22O/c1-8-7-12(2,3)11-5-4-9(13)6-10(8)11/h8-11,13H,4-7H2,1-3H3",C12H22O,,,,,,KROBFAVVQSFTEU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.148,298-110-9,93777-76-5,4-octadecyl-o-cresol,2-methyl-4-octadecylphenol,CCCCCCCCCCCCCCCCCCc1ccc(O)c(C)c1,CCCCCCCCCCCCCCCCCCc1ccc(O)c(C)c1,"InChI=1/C25H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21-25(26)23(2)22-24/h20-22,26H,3-19H2,1-2H3",C25H44O,,,,,,YZNQWZJMXAWHAO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.158,298-121-9,93777-90-3,"2-methyl-1,4-dioxecane-5,10-dione","2-methyl-1,4-dioxecane-5,10-dione",CC1COC(=O)CCCCC(=O)O1,CC1COC(=O)CCCCC(=O)O1,"InChI=1/C9H14O4/c1-7-6-12-8(10)4-2-3-5-9(11)13-7/h7H,2-6H2,1H3",C9H14O4,,,,,,VGHCVSPDKSEROA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.160,298-124-5,93777-92-5,"(3-(2,3-epoxypropoxy)propyl)(2-methoxyethoxy)dimethylsilane","6,6-dimethyl-11-oxiran-2-yl-2,5,10-trioxa-6-silaundecane",COCCO[Si](C)(C)CCCOCC1CO1,COCCO[Si](C)(C)CCCOCC1CO1,"InChI=1/C11H24O4Si/c1-12-6-7-15-16(2,3)8-4-5-13-9-11-10-14-11/h11H,4-10H2,1-3H3",C11H24O4Si,,,,,,LNRZNEMBUREBON-UHFFFAOYSA-N,,,,,,,,,,,
100.089.165,298-129-2,93777-97-0,"9-[di(allyloxy)methyl]-4,4,14,14-tetraethoxy-3,8,10,15-tetraoxa-4,14-disilaheptadecane","9-[bis(allyloxy)methyl]-4,4,14,14-tetraethoxy-3,8,10,15-tetraoxa-4,14-disilaheptadecane",CCO[Si](CCCOC(OCCC[Si](OCC)(OCC)OCC)C(OCC=C)OCC=C)(OCC)OCC,CCO[Si](CCCOC(OCCC[Si](OCC)(OCC)OCC)C(OCC=C)OCC=C)(OCC)OCC,"InChI=1/C26H54O10Si2/c1-9-19-27-25(28-20-10-2)26(29-21-17-23-37(31-11-3,32-12-4)33-13-5)30-22-18-24-38(34-14-6,35-15-7)36-16-8/h9-10,25-26H,1-2,11-24H2,3-8H3",C26H54O10Si2,,,,,,JGYDFIZRHREKJO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.166,298-130-8,93777-98-1,"1,1-dimethyl-N,N'-bis(1-methylpropyl)silanediamine","N,N'-di-sec-butyl-1,1-dimethylsilanediamine",CCC(C)N[Si](C)(C)NC(C)CC,CCC(C)N[Si](C)(C)NC(C)CC,"InChI=1/C10H26N2Si/c1-7-9(3)11-13(5,6)12-10(4)8-2/h9-12H,7-8H2,1-6H3",C10H26N2Si,,,,,,AOOAEHIAZBYEDV-UHFFFAOYSA-N,,,,,,,,,,,
100.089.174,298-139-7,93778-06-4,4-[(2-aminophenyl)methyl]-2-ethyl-6-methylaniline,4-(2-aminobenzyl)-2-ethyl-6-methylaniline,CCc1cc(Cc2ccccc2N)cc(C)c1N,CCc1cc(Cc2ccccc2N)cc(C)c1N,"InChI=1/C16H20N2/c1-3-13-9-12(8-11(2)16(13)18)10-14-6-4-5-7-15(14)17/h4-9H,3,10,17-18H2,1-2H3",C16H20N2,,,,,,QAFCDBUOXXLIEE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.028,300-177-7,93923-87-6,Ethyl 2-chloro-2-hydroxyheptanoate,ethyl 2-chloro-2-hydroxyheptanoate,CCCCCC(O)(Cl)C(=O)OCC,CCCCCC(O)(Cl)C(=O)OCC,"InChI=1/C9H17ClO3/c1-3-5-6-7-9(10,12)8(11)13-4-2/h12H,3-7H2,1-2H3",C9H17ClO3,,,,,,OJTCNEPEFSANGL-UHFFFAOYSA-N,,,,,,,,,,,
100.091.029,300-178-2,93923-88-7,"N-[N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]glycyl]glycine","N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycylglycine",OC(=O)CNC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O,OC(=O)CNC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O,"InChI=1/C14H13N3O6/c18-10(16-6-12(20)21)5-15-11(19)7-17-13(22)8-3-1-2-4-9(8)14(17)23/h1-4H,5-7H2,(H,15,19)(H,16,18)(H,20,21)",C14H13N3O6,,,,,,QPJQIQMWOUOCOY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.031,300-180-3,93923-90-1,Erythro-5-hydroxy-L-lysine monohydrochloride,5-hydroxy-L-lysine hydrochloride,Cl.NC[C@@H](O)CC[C@H](N)C(=O)O,Cl.NC[C@@H](O)CC[C@H](N)C(=O)O,"InChI=1/C6H14N2O3.ClH/c7-3-4(9)1-2-5(8)6(10)11;/h4-5,9H,1-3,7-8H2,(H,10,11);1H",C6H14N2O3.ClH,,,,,,MJXVOTKVFFAZQJ-FHAQVOQBSA-N,,,,,,,,,,,
100.091.033,300-182-4,93923-92-3,"(2E,6Z)-dodeca-2,6-dienyl acetate","dodeca-2,6-dien-1-yl acetate",CCCCC\\C=C/CC\\C=C\\COC(=O)C,CCCCC\C=C/CC\C=C\COC(=O)C,"InChI=1/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h7-8,11-12H,3-6,9-10,13H2,1-2H3",C14H24O2,,,,,,UHTJWXRTCBZWQH-OFALOCIGSA-N,,,,,,,,,,,
100.091.037,300-187-1,93923-96-7,"1-(2-carboxylatoethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium",3-[3-(2-hydroxyethyl)-2-undecylimidazolidin-1-ium-1-yl]propanoate,CCCCCCCCCCCC1N(CCO)CC[NH+]1CCC(=O)[O-],CCCCCCCCCCCC1N(CCO)CC[NH+]1CCC(=O)[O-],"InChI=1/C19H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-18-20(13-12-19(23)24)14-15-21(18)16-17-22/h18,22H,2-17H2,1H3,(H,23,24)",C19H36N2O3,,,,,,MOTFLIXXADEUHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.120,299-179-8,93857-45-5,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12H6F21O4P.2H3N/c13-3(14,1-2-37-38(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33;;/h1-2H2,(H2,34,35,36);2*1H3",C12H6F21O4P.2H3N,,,,,,FSJLLRNJLNPGBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.122,299-181-9,93857-47-7,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H6F29O4P.2H3N/c17-3(18,1-2-49-50(46,47)48)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45;;/h1-2H2,(H2,46,47,48);2*1H3",C16H6F29O4P.2H3N,,,,,,MJHYQOMQQBZWGU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.123,299-182-4,93857-48-8,"Diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl phosphate","diammonium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl phosphate",[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].[O-]P(=O)([O-])OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C18H6F33O4P.2H3N/c19-3(20,1-2-55-56(52,53)54)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51;;/h1-2H2,(H2,52,53,54);2*1H3",C18H6F33O4P.2H3N,,,,,,VYOMBRAEBXFKCI-UHFFFAOYSA-N,,,,,,,,,,,
100.078.520,286-402-9,85237-43-0,2-chloro-5-(trifluoromethyl)benzenediazonium tetrachlorozincate (2:1),bis[2-chloro-5-(trifluoromethyl)benzenediazonium] tetrachlorozincate(2-),FC(F)(F)c1ccc(Cl)c(c1)[N+]#N.FC(F)(F)c2ccc(Cl)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,FC(F)(F)c1ccc(Cl)c(c1)[N+]#N.FC(F)(F)c2ccc(Cl)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C7H3ClF3N2.4ClH.Zn/c2*8-5-2-1-4(7(9,10)11)3-6(5)13-12;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4/r2C7H3ClF3N2.Cl4Zn/c2*8-5-2-1-4(7(9,10)11)3-6(5)13-12;1-5(2,3)4/h2*1-3H;/q2*+1;-2",C7H3ClF3N2.1/2Cl4Zn,,,,,,KFEAKZIUKCTJRI-UHFFFAOYSA-J,,,,,,,,,,,
100.078.523,286-406-0,85237-46-3,4-(benzoylamino)-2-chloro-5-methoxybenzenediazonium tetrachlorozincate (2:1),bis[4-(benzoylamino)-2-chloro-5-methoxybenzenediazonium] tetrachlorozincate(2-),COc1cc([N+]#N)c(Cl)cc1NC(=O)c2ccccc2.COc3cc([N+]#N)c(Cl)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,COc1cc([N+]#N)c(Cl)cc1NC(=O)c2ccccc2.COc3cc([N+]#N)c(Cl)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H10ClN3O2.4ClH.Zn/c2*1-20-13-8-11(18-16)10(15)7-12(13)17-14(19)9-5-3-2-4-6-9;;;;;/h2*2-8H,1H3;4*1H;/q;;;;;;+2/p-2/r2C14H10ClN3O2.Cl4Zn/c2*1-20-13-8-11(18-16)10(15)7-12(13)17-14(19)9-5-3-2-4-6-9;1-5(2,3)4/h2*2-8H,1H3;/q;;-2/p+2",C14H11ClN3O2.1/2Cl4Zn,,,,,,ALAZGXLHSJZHIV-UHFFFAOYSA-L,,,,,,,,,,,
100.078.531,286-414-4,85237-55-4,"3-amino-4-hydroxybenzenesulphonamide, sodium salt",-,[Na+].Nc1cc(ccc1O)S(=O)(=O)N,[Na+].Nc1cc(ccc1O)S(=O)(=O)N,"InChI=1/C6H8N2O3S.Na/c7-5-3-4(12(8,10)11)1-2-6(5)9;/h1-3,9H,7H2,(H2,8,10,11);/q;+1",C6H8N2O3S.xNa,,,,,,AIPHMTDLICSNMP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.541,286-425-4,85237-65-6,2-(4-fluorophenyl)-5-methylpyridine,2-(4-fluorophenyl)-5-methylpyridine,Cc1ccc(nc1)c2ccc(F)cc2,Cc1ccc(nc1)c2ccc(F)cc2,"InChI=1/C12H10FN/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-8H,1H3",C12H10FN,,,,,,WSVYYUKIXFSDTE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.550,286-435-9,85237-74-7,1-methyl-2-(4-methylcyclohexyl)piperidine,1-methyl-2-(4-methylcyclohexyl)piperidine,CC1CCC(CC1)C2CCCCN2C,CC1CCC(CC1)C2CCCCN2C,"InChI=1/C13H25N/c1-11-6-8-12(9-7-11)13-5-3-4-10-14(13)2/h11-13H,3-10H2,1-2H3",C13H25N,,,,,,VGZBWDDIEZENII-UHFFFAOYSA-N,,,,,,,,,,,
100.078.552,286-438-5,85237-76-9,2-phenyl-3-propylpyridine,2-phenyl-3-propylpyridine,CCCc1cccnc1c2ccccc2,CCCc1cccnc1c2ccccc2,"InChI=1/C14H15N/c1-2-7-12-10-6-11-15-14(12)13-8-4-3-5-9-13/h3-6,8-11H,2,7H2,1H3",C14H15N,,,,,,JWKHFQQTAFAOQD-UHFFFAOYSA-N,,,,,,,,,,,
100.078.557,286-443-2,85237-81-6,4-hydroxybutyl 3-amino-2-butenoate,4-hydroxybutyl 3-aminobut-2-enoate,O=C(C=C(C)N)OCCCCO,O=C(C=C(C)N)OCCCCO,"InChI=1/C8H15NO3/c1-7(9)6-8(11)12-5-3-2-4-10/h6,10H,2-5,9H2,1H3",C8H15NO3,,,,,,ZYHAPCXGXNLQDF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.851,302-183-5,94094-81-2,"2,9-bis(3-mercaptophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone","2,9-bis(3-sulfanylphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone",Sc1cccc(c1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9cccc(S)c9,Sc1cccc(c1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9cccc(S)c9,"InChI=1/C36H18N2O4S2/c39-33-25-11-7-21-23-9-13-27-32-28(36(42)38(35(27)41)18-4-2-6-20(44)16-18)14-10-24(30(23)32)22-8-12-26(31(25)29(21)22)34(40)37(33)17-3-1-5-19(43)15-17/h1-16,43-44H",C36H18N2O4S2,,,,,,QYJNEVWQFXXWNF-UHFFFAOYSA-N,,,,,,,,,,,
100.085.252,293-813-7,91101-21-2,"2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[[3-[(phenylamino)sulphonyl]phenyl]azo]-1H-pyrazol-1-yl]benzenesulphonic acid","2,5-dichloro-4-(3-methyl-5-oxo-4-{[3-(phenylsulfamoyl)phenyl]diazenyl}-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",O=S(=O)(Nc1ccccc1)c2cccc(c2)N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O,O=S(=O)(Nc1ccccc1)c2cccc(c2)N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O,"InChI=1/C22H17Cl2N5O6S2/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-15-8-5-9-16(10-15)36(31,32)28-14-6-3-2-4-7-14/h2-12,21,28H,1H3,(H,33,34,35)",C22H17Cl2N5O6S2,,,,,,NJOYTYKWRUYHOV-UHFFFAOYSA-N,,,,,,,,,,,
100.085.262,293-824-7,91225-21-7,4-cyanophenyl trans-4-(4-butylcyclohexyl)benzoate,4-cyanophenyl 4-(4-butylcyclohexyl)benzoate,CCCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N,CCCCC1CCC(CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N,"InChI=1/C24H27NO2/c1-2-3-4-18-5-9-20(10-6-18)21-11-13-22(14-12-21)24(26)27-23-15-7-19(17-25)8-16-23/h7-8,11-16,18,20H,2-6,9-10H2,1H3",C24H27NO2,,,,,,QOUBQGAGYOVSAO-UHFFFAOYSA-N,,,,,,,,,,,
100.080.877,288-997-0,85959-07-5,"Disodium 5-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)-1-oxopropyl]amino]-2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulphonatophenyl)-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","disodium 5-{[3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)propanoyl]amino}-2-{[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].[Na+].O=C4C(\\Cl)=C(\\Cl)/C=N\\N4CCC(=O)Nc3ccc(N=NC2C(\\C)=N/N(c1ccc(cc1C)S([O-])(=O)=O)C2=O)c(c3)S([O-])(=O)=O,[Na+].[Na+].O=C4C(\Cl)=C(\Cl)/C=N\N4CCC(=O)Nc3ccc(N=NC2C(\C)=N/N(c1ccc(cc1C)S([O-])(=O)=O)C2=O)c(c3)S([O-])(=O)=O,"InChI=1/C24H21Cl2N7O9S2.2Na/c1-12-9-15(43(37,38)39)4-6-18(12)33-24(36)22(13(2)31-33)30-29-17-5-3-14(10-19(17)44(40,41)42)28-20(34)7-8-32-23(35)21(26)16(25)11-27-32;;/h3-6,9-11,22H,7-8H2,1-2H3,(H,28,34)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C24H21Cl2N7O9S2.2Na,,,,,,NBDZMJBHKDNFTM-UHFFFAOYSA-L,,,,,,,,,,,
100.081.065,289-204-0,86198-35-8,"1,1-diethoxy-3,5,5-trimethylhexane","1,1-diethoxy-3,5,5-trimethylhexane",CCOC(CC(C)CC(C)(C)C)OCC,CCOC(CC(C)CC(C)(C)C)OCC,"InChI=1/C13H28O2/c1-7-14-12(15-8-2)9-11(3)10-13(4,5)6/h11-12H,7-10H2,1-6H3",C13H28O2,,,,,,SXOLJHFGARCGQT-UHFFFAOYSA-N,,,,,,,,,,,
100.081.068,289-207-7,86219-77-4,"1,2,3,6-tetrahydro-1-methyl-4-phenylpyridine-3-methanol","(1-methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl)methanol",CN1CC=C(C(CO)C1)c2ccccc2,CN1CC=C(C(CO)C1)c2ccccc2,"InChI=1/C13H17NO/c1-14-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-7,12,15H,8-10H2,1H3",C13H17NO,,,,,,XEKJYZSYCTXLJX-UHFFFAOYSA-N,,,,,,,,,,,
100.081.070,289-209-8,86241-63-6,2-chloro-N-[2-(2-oxo-1-imidazolidinyl)ethyl]acetamide,2-chloro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide,ClCC(=O)NCCN1CCNC1=O,ClCC(=O)NCCN1CCNC1=O,"InChI=1/C7H12ClN3O2/c8-5-6(12)9-1-3-11-4-2-10-7(11)13/h1-5H2,(H,9,12)(H,10,13)",C7H12ClN3O2,,,,,,WWPDRTXZZHBFQT-UHFFFAOYSA-N,,,,,,,,,,,
100.081.071,289-210-3,86241-66-9,N-[(2-oxoimidazolidin-1-yl)methyl]acrylamide,N-[(2-oxoimidazolidin-1-yl)methyl]acrylamide,C=CC(=O)NCN1CCNC1=O,C=CC(=O)NCN1CCNC1=O,"InChI=1/C7H11N3O2/c1-2-6(11)9-5-10-4-3-8-7(10)12/h2H,1,3-5H2,(H,8,12)(H,9,11)",C7H11N3O2,,,,,,DJPBBQRCUOFFKU-UHFFFAOYSA-N,,,,,,,,,,,
100.081.076,289-216-6,86264-31-5,4-amino-2-chloro-5-hydroxy-N-methylbenzenesulphonamide,4-amino-2-chloro-5-hydroxy-N-methylbenzenesulfonamide,CNS(=O)(=O)c1cc(O)c(N)cc1Cl,CNS(=O)(=O)c1cc(O)c(N)cc1Cl,"InChI=1/C7H9ClN2O3S/c1-10-14(12,13)7-3-6(11)5(9)2-4(7)8/h2-3,10-11H,9H2,1H3",C7H9ClN2O3S,,,,,,HXERBYOQACRHEP-UHFFFAOYSA-N,,,,,,,,,,,
100.081.077,289-217-1,86265-01-2,4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane-3-carbaldehyde,1-isopropyl-4-methylbicyclo[3.1.0]hexane-3-carbaldehyde,CC(C)C12CC(C=O)C(C)C1C2,CC(C)C12CC(C=O)C(C)C1C2,"InChI=1/C11H18O/c1-7(2)11-4-9(6-12)8(3)10(11)5-11/h6-10H,4-5H2,1-3H3",C11H18O,,,,,,CYFPFOYKFRTYFE-UHFFFAOYSA-N,,,,,,,,,,,
100.081.087,289-228-1,86366-52-1,"3,3,6,6-tetramethylmorpholine-2,5-dione","3,3,6,6-tetramethylmorpholine-2,5-dione",CC1(C)NC(=O)C(C)(C)OC1=O,CC1(C)NC(=O)C(C)(C)OC1=O,"InChI=1/C8H13NO3/c1-7(2)6(11)12-8(3,4)5(10)9-7/h1-4H3,(H,9,10)",C8H13NO3,,,,,,ABRBACLJPUACFC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.090,289-231-8,86393-37-5,Amifloxacin,"6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",CNN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,CNN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,"InChI=1/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)",C16H19FN4O3,,,,,,RUXPNBWPIRDVTH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.098,289-240-7,86475-37-8,"2-acetyl-4,4-dimethyl-1-phenylpyrazolidin-3-one","2-acetyl-4,4-dimethyl-1-phenylpyrazolidin-3-one",CC(=O)N1N(CC(C)(C)C1=O)c2ccccc2,CC(=O)N1N(CC(C)(C)C1=O)c2ccccc2,"InChI=1/C13H16N2O2/c1-10(16)15-12(17)13(2,3)9-14(15)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",C13H16N2O2,,,,,,XWKAZXKJYHZGAI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.923,289-047-8,85959-53-1,"Disodium 6-[[2-[2-(cyclohexylamino)phenoxy]phenyl]azo]-4-[[(2,4-dichlorophenoxy)acetyl]amino]-5-hydroxynaphthalene-1,7-disulphonate","disodium 6-({2-[2-(cyclohexylamino)phenoxy]phenyl}diazenyl)-4-{[(2,4-dichlorophenoxy)acetyl]amino}-5-hydroxynaphthalene-1,7-disulfonate",[Na+].[Na+].Clc6ccc(OCC(=O)Nc5ccc(c4cc(c(N=Nc3ccccc3Oc2ccccc2NC1CCCCC1)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c6,[Na+].[Na+].Clc6ccc(OCC(=O)Nc5ccc(c4cc(c(N=Nc3ccccc3Oc2ccccc2NC1CCCCC1)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(Cl)c6,"InChI=1/C36H32Cl2N4O10S2.2Na/c37-21-14-16-28(24(38)18-21)51-20-33(43)40-27-15-17-31(53(45,46)47)23-19-32(54(48,49)50)35(36(44)34(23)27)42-41-26-11-5-7-13-30(26)52-29-12-6-4-10-25(29)39-22-8-2-1-3-9-22;;/h4-7,10-19,22,39,44H,1-3,8-9,20H2,(H,40,43)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C36H32Cl2N4O10S2.2Na,,,,,,NEIGEOFDCQELFS-UHFFFAOYSA-L,,,,,,,,,,,
100.080.933,289-058-8,85959-63-3,"2-ammonio-4,5-dihydrothiazolium sulphate","2-ammonio-4,5-dihydro-1,3-thiazol-3-ium sulfate",[NH3+]C1=[NH+]CCS1.[O-]S(=O)(=O)[O-],[NH3+]C1=[NH+]CCS1.[O-]S(=O)(=O)[O-],"InChI=1/C3H6N2S.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h1-2H2,(H2,4,5);(H2,1,2,3,4)",C3H6N2S.H2O4S,,,,,,HMFCCVGAFFKVDM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.937,289-063-5,85959-67-7,"Sodium 2,5-dichloro-4-hydrazinobenzenesulphonate","sodium 2,5-dichloro-4-hydrazinobenzenesulfonate",[Na+].NNc1cc(Cl)c(cc1Cl)S(=O)(=O)[O-],[Na+].NNc1cc(Cl)c(cc1Cl)S(=O)(=O)[O-],"InChI=1/C6H6Cl2N2O3S.Na/c7-3-2-6(14(11,12)13)4(8)1-5(3)10-9;/h1-2,10H,9H2,(H,11,12,13);/q;+1/p-1",C6H6Cl2N2O3S.Na,,,,,,RFVLQKJFRXXZLG-UHFFFAOYSA-M,,,,,,,,,,,
100.079.221,287-173-8,85410-00-0,Aluminium tris(dimethylnaphthalenesulphonate),"aluminum tris(2,3-dimethylnaphthalene-1-sulfonate)",[Al+3].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-].Cc3cc4ccccc4c(c3C)S(=O)(=O)[O-].Cc5cc6ccccc6c(c5C)S(=O)(=O)[O-],[Al+3].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-].Cc3cc4ccccc4c(c3C)S(=O)(=O)[O-].Cc5cc6ccccc6c(c5C)S(=O)(=O)[O-],"InChI=1/3C12H12O3S.Al/c3*1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h3*3-7H,1-2H3,(H,13,14,15);/q;;;+3/p-3",C12H12O3S.1/3Al,,,,,,XLYCRIMUZNACND-UHFFFAOYSA-K,,,,,,,,,,,
100.079.226,287-179-0,85410-05-5,Calcium (1-methylethyl)naphthalenesulphonate,calcium bis(2-isopropylnaphthalene-1-sulfonate),[Ca+2].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].CC(C)c3ccc4ccccc4c3S(=O)(=O)[O-],[Ca+2].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].CC(C)c3ccc4ccccc4c3S(=O)(=O)[O-],"InChI=1/2C13H14O3S.Ca/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h2*3-9H,1-2H3,(H,14,15,16);/q;;+2/p-2",C13H14O3S.1/2Ca,,,,,,SEUKUXKGSYEFQM-UHFFFAOYSA-L,,,,,,,,,,,
100.079.245,287-200-3,85422-98-6,[2-(acryloyloxy)ethyl]dimethylammonium nitrate,"2-(acryloyloxy)-N,N-dimethylethanaminium nitrate",C[NH+](C)CCOC(=O)C=C.[O-][N+](=O)[O-],C[NH+](C)CCOC(=O)C=C.[O-][N+](=O)[O-],"InChI=1/C7H13NO2.NO3/c1-4-7(9)10-6-5-8(2)3;2-1(3)4/h4H,1,5-6H2,2-3H3;/q;-1/p+1",C7H13NO2.HNO3,,,,,,YVKYRSHZYGCTAY-UHFFFAOYSA-O,,,,,,,,,,,
100.079.246,287-201-9,85422-99-7,"1,1'-[(2-hydroxyethyl)imino]bis(3-phenoxypropan-2-ol)","1,1'-[(2-hydroxyethyl)imino]bis(3-phenoxypropan-2-ol)",OCCN(CC(O)COc1ccccc1)CC(O)COc2ccccc2,OCCN(CC(O)COc1ccccc1)CC(O)COc2ccccc2,"InChI=1/C20H27NO5/c22-12-11-21(13-17(23)15-25-19-7-3-1-4-8-19)14-18(24)16-26-20-9-5-2-6-10-20/h1-10,17-18,22-24H,11-16H2",C20H27NO5,,,,,,LMDXDNZRAJZFDG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.753,288-860-5,85909-55-3,Bis[bis(2-hydroxyethyl)ammonium] maleate,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] but-2-enedioate,OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)\\C=C/C(=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/2C4H11NO2.C4H4O4/c2*6-3-1-5-2-4-7;5-3(6)1-2-4(7)8/h2*5-7H,1-4H2;1-2H,(H,5,6)(H,7,8)",C4H11NO2.1/2C4H4O4,,,,,,CZCSZYQOXXARTB-KSBRXOFISA-N,,,,,,,,,,,
100.080.756,288-863-1,85909-58-6,Diammonium 2-ethylhexyl phosphate,diammonium 2-ethylhexyl phosphate,[NH4+].[NH4+].CCCCC(CC)COP(=O)([O-])[O-],[NH4+].[NH4+].CCCCC(CC)COP(=O)([O-])[O-],"InChI=1/C8H19O4P.2H3N/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);2*1H3",C8H19O4P.2H3N,,,,,,ZGMVLLQKWOZFTM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.763,288-871-5,85926-99-4,Indoline-4-ol,indolin-4-ol,Oc1cccc2NCCc12,Oc1cccc2NCCc12,"InChI=1/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-3,9-10H,4-5H2",C8H9NO,,,,,,OWWAUBQOFLVUMS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.979,289-108-9,86014-62-2,"Phosphoric acid, 2-ethylhexyl ester, ammonium salt",ammonium 2-ethylhexyl hydrogen phosphate,[NH4+].CCCCC(CC)COP(=O)(O)[O-],[NH4+].CCCCC(CC)COP(=O)(O)[O-],"InChI=1/C8H19O4P.H3N/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);1H3",-,,,,,,AUZYDJMRJRSCDX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.980,289-109-4,86014-63-3,"Sulfuric acid, chromium sodium salt, basic",-,[Na+].[Cr+2].[O-]S(=O)(=O)[O-],[Na+].[Cr+2].[O-]S(=O)(=O)[O-],"InChI=1/Cr.Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q+2;+1;/p-2",-,,,,,,MZFVGORCXGRDCD-UHFFFAOYSA-L,,,,,,,,,,,
100.080.774,288-883-0,85938-48-3,Dibutylfluorophenylstannane,dibutyl(fluoro)phenylstannane,CCCC[Sn](F)(CCCC)c1ccccc1,CCCC[Sn](F)(CCCC)c1ccccc1,"InChI=1/C6H5.2C4H9.FH.Sn/c1-2-4-6-5-3-1;2*1-3-4-2;;/h1-5H;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC14H23FSn/c1-3-5-12-16(15,13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3",C14H23FSn,,,,,,ZHYJTYYLZUPTRY-UHFFFAOYSA-M,,,,,,,,,,,
100.080.780,288-889-3,85938-54-1,"N,N-bis(3-aminopropyl)decylamine","N-(3-aminopropyl)-N-decylpropane-1,3-diamine",CCCCCCCCCCN(CCCN)CCCN,CCCCCCCCCCN(CCCN)CCCN,"InChI=1/C16H37N3/c1-2-3-4-5-6-7-8-9-14-19(15-10-12-17)16-11-13-18/h2-18H2,1H3",C16H37N3,,,,,,HKEBWESLPJXKAA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.784,288-894-0,85938-58-5,Butyl isopropyldithiocarbamate,butyl isopropyldithiocarbamate,CCCCSC(=S)NC(C)C,CCCCSC(=S)NC(C)C,"InChI=1/C8H17NS2/c1-4-5-6-11-8(10)9-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)",C8H17NS2,,,,,,XKKAHDOWLCACTR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.038,300-188-7,93923-97-8,"1-(2-carboxylatoethyl)-2-(dec-9-enyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium",3-[2-dec-9-en-1-yl-3-(2-hydroxyethyl)imidazolidin-1-ium-1-yl]propanoate,OCCN1CC[NH+](CCC(=O)[O-])C1CCCCCCCCC=C,OCCN1CC[NH+](CCC(=O)[O-])C1CCCCCCCCC=C,"InChI=1/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-17-19(12-11-18(22)23)13-14-20(17)15-16-21/h2,17,21H,1,3-16H2,(H,22,23)",C18H32N2O3,,,,,,XWDLYGRNFCQQDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.048,300-199-7,93924-07-3,"Alkanes, C10-14",dodecane,CCCCCCCCCCCC,CCCCCCCCCCCC,"InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3",-,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1687,https://echa.europa.eu/substance-information/-/substanceinfo/100.091.048,SNRUBQQJIBEYMU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.086,302-442-2,94109-05-4,N-(2-hydroxyethyl)docosanamide,N-(2-hydroxyethyl)docosanamide,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO,"InChI=1/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h26H,2-23H2,1H3,(H,25,27)",C24H49NO2,,,,,,XHFWUECSNJWBJU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.088,302-444-3,94109-07-6,Butyl 16-methylheptadecanoate,butyl 16-methylheptadecanoate,CCCCOC(=O)CCCCCCCCCCCCCCC(C)C,CCCCOC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1/C22H44O2/c1-4-5-20-24-22(23)19-17-15-13-11-9-7-6-8-10-12-14-16-18-21(2)3/h21H,4-20H2,1-3H3",C22H44O2,,,,,,BKEUNIPSDCRXQK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.090,302-446-4,94109-09-8,"Tri(tridecyl) benzene-1,2,4-tricarboxylate","tritridecyl benzene-1,2,4-tricarboxylate",CCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCCCCC)c(c1)C(=O)OCCCCCCCCCCCCC,CCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCCCCC)c(c1)C(=O)OCCCCCCCCCCCCC,"InChI=1/C48H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-39-52-46(49)43-37-38-44(47(50)53-40-35-32-29-26-23-20-17-14-11-8-5-2)45(42-43)48(51)54-41-36-33-30-27-24-21-18-15-12-9-6-3/h37-38,42H,4-36,39-41H2,1-3H3",C48H84O6,,,,,,RKPOLXDFMLKRHE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.096,302-453-2,94109-15-6,Tetrakis(2-hydroxyethyl)ammonium stearate,"2-hydroxy-N,N,N-tris(2-hydroxyethyl)ethanaminium stearate",CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[N+](CCO)(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[N+](CCO)(CCO)CCO,"InChI=1/C18H36O2.C8H20NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;10-5-1-9(2-6-11,3-7-12)4-8-13/h2-17H2,1H3,(H,19,20);10-13H,1-8H2/q;+1/p-1",C18H35O2.C8H20NO4,,,,,,HKWINVFGQLOGBS-UHFFFAOYSA-M,,,,,,,,,,,
100.093.100,302-457-4,94109-19-0,(2-hydroxyethyl) hydrogen adipate,6-(2-hydroxyethoxy)-6-oxohexanoic acid,OCCOC(=O)CCCCC(=O)O,OCCOC(=O)CCCCC(=O)O,"InChI=1/C8H14O5/c9-5-6-13-8(12)4-2-1-3-7(10)11/h9H,1-6H2,(H,10,11)",C8H14O5,,,,,,YXCHMHANQUUDOV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.103,302-461-6,94109-22-5,4-(cyclohexylamino)-7H-benzo[e]perimidin-7-one,4-(cyclohexylamino)-7H-benzo[e]perimidin-7-one,O=C1c2ccccc2c3ncnc4c(NC5CCCCC5)ccc1c34,O=C1c2ccccc2c3ncnc4c(NC5CCCCC5)ccc1c34,"InChI=1/C21H19N3O/c25-21-15-9-5-4-8-14(15)19-18-16(21)10-11-17(20(18)23-12-22-19)24-13-6-2-1-3-7-13/h4-5,8-13,24H,1-3,6-7H2",C21H19N3O,,,,,,KRCWONXHCZHJKH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.181,298-147-0,93778-13-3,2-propylthioisonicotinamide monohydrochloride,2-propylpyridine-4-carbothioamide hydrochloride,Cl.CCCc1cc(ccn1)C(=S)N,Cl.CCCc1cc(ccn1)C(=S)N,"InChI=1/C9H12N2S.ClH/c1-2-3-8-6-7(9(10)12)4-5-11-8;/h4-6H,2-3H2,1H3,(H2,10,12);1H",C9H12N2S.ClH,,,,,,KRWYKWASDKBOGK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.182,298-148-6,93778-14-4,1-[[1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl]piperazine,1-(4-ethoxyphenyl)-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one,CCOc1ccc(cc1)N2CC(CC2=O)C(=O)N3CCNCC3,CCOc1ccc(cc1)N2CC(CC2=O)C(=O)N3CCNCC3,"InChI=1/C17H23N3O3/c1-2-23-15-5-3-14(4-6-15)20-12-13(11-16(20)21)17(22)19-9-7-18-8-10-19/h3-6,13,18H,2,7-12H2,1H3",C17H23N3O3,,,,,,XLMRKHPACLFOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.184,298-150-7,93778-16-6,"Bis[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]methylammonium] sulphate","bis[2-(3,4-dihydroxyphenyl)-N-methyl-2-oxoethanaminium] sulfate",C[NH2+]CC(=O)c1ccc(O)c(O)c1.C[NH2+]CC(=O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-],C[NH2+]CC(=O)c1ccc(O)c(O)c1.C[NH2+]CC(=O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C9H11NO3.H2O4S/c2*1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-5(2,3)4/h2*2-4,10-12H,5H2,1H3;(H2,1,2,3,4)",C9H11NO3.1/2H2O4S,,,,,,RDJANFDMGBFNOM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.191,298-158-0,93778-23-5,2-[3-[4-(methylthio)benzoyl]phenyl]propiononitrile,2-{3-[4-(methylsulfanyl)benzoyl]phenyl}propanenitrile,CSc1ccc(cc1)C(=O)c2cccc(c2)C(C)C#N,CSc1ccc(cc1)C(=O)c2cccc(c2)C(C)C#N,"InChI=1/C17H15NOS/c1-12(11-18)14-4-3-5-15(10-14)17(19)13-6-8-16(20-2)9-7-13/h3-10,12H,1-2H3",C17H15NOS,,,,,,VDFWINOWYAVRQY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.192,298-159-6,93778-24-6,Pentasodium 2-[bis[4-(phosphonatooxy)phenyl]methyl]benzoate,pentasodium 2-{bis[4-(phosphonatooxy)phenyl]methyl}benzoate,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccccc1C(c2ccc(OP(=O)([O-])[O-])cc2)c3ccc(OP(=O)([O-])[O-])cc3,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccccc1C(c2ccc(OP(=O)([O-])[O-])cc2)c3ccc(OP(=O)([O-])[O-])cc3,"InChI=1/C20H18O10P2.5Na/c21-20(22)18-4-2-1-3-17(18)19(13-5-9-15(10-6-13)29-31(23,24)25)14-7-11-16(12-8-14)30-32(26,27)28;;;;;/h1-12,19H,(H,21,22)(H2,23,24,25)(H2,26,27,28);;;;;/q;5*+1/p-5",C20H18O10P2.5Na,,,,,,IUXMHTHXRKRLTE-UHFFFAOYSA-I,,,,,,,,,,,
100.089.194,298-161-7,93778-26-8,2-tetradecyloctadecyl octanoate,2-tetradecyloctadecyl octanoate,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCC,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCC,"InChI=1/C40H80O2/c1-4-7-10-13-15-17-19-21-22-24-26-28-31-33-36-39(38-42-40(41)37-34-29-12-9-6-3)35-32-30-27-25-23-20-18-16-14-11-8-5-2/h39H,4-38H2,1-3H3",C40H80O2,,,,,,AYXOLCSDTLRHLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.852,302-184-0,94094-82-3,"Diethyl hydrogen phosphate, compound with guanidine (2:1)",diethyl hydrogen phosphate - guanidine (2:1),CCOP(=O)(O)OCC.CCOP(=O)(O)OCC.NC(=N)N,CCOP(=O)(O)OCC.CCOP(=O)(O)OCC.NC(=N)N,"InChI=1/2C4H11O4P.CH5N3/c2*1-3-7-9(5,6)8-4-2;2-1(3)4/h2*3-4H2,1-2H3,(H,5,6);(H5,2,3,4)",C4H11O4P.1/2CH5N3,,,,,,SWMAWYCZGIXKPX-UHFFFAOYSA-N,,,,,,,,,,,
100.088.011,296-857-5,93091-07-7,3-[(2-aminocyclohexyl)methyl]-o-toluidine,3-[(2-aminocyclohexyl)methyl]-2-methylaniline,Cc1c(N)cccc1CC2CCCCC2N,Cc1c(N)cccc1CC2CCCCC2N,"InChI=1/C14H22N2/c1-10-11(6-4-8-13(10)15)9-12-5-2-3-7-14(12)16/h4,6,8,12,14H,2-3,5,7,9,15-16H2,1H3",C14H22N2,,,,,,AZNLWJWNABNYLI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.914,298-953-2,93840-86-9,"1-methoxy-3,7-dimethyloctane","1-methoxy-3,7-dimethyloctane",COCCC(C)CCCC(C)C,COCCC(C)CCCC(C)C,"InChI=1/C11H24O/c1-10(2)6-5-7-11(3)8-9-12-4/h10-11H,5-9H2,1-4H3",C11H24O,,,,,,XBFMCXPIVMBHAL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.915,298-954-8,93840-87-0,Dihydro-5-[2-(4-methyl-3-cyclohexen-1-yl)propyl]furan-2(3H)-one,5-[2-(4-methylcyclohex-3-en-1-yl)propyl]dihydrofuran-2(3H)-one,CC(CC1CCC(=O)O1)C2CCC(=CC2)C,CC(CC1CCC(=O)O1)C2CCC(=CC2)C,"InChI=1/C14H22O2/c1-10-3-5-12(6-4-10)11(2)9-13-7-8-14(15)16-13/h3,11-13H,4-9H2,1-2H3",C14H22O2,,,,,,QHJBCNKYSABBGA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.920,298-960-0,93840-92-7,2-isobutyl-5-methoxyphenol,2-isobutyl-5-methoxyphenol,COc1ccc(CC(C)C)c(O)c1,COc1ccc(CC(C)C)c(O)c1,"InChI=1/C11H16O2/c1-8(2)6-9-4-5-10(13-3)7-11(9)12/h4-5,7-8,12H,6H2,1-3H3",C11H16O2,,,,,,HNUDORDYOZLYMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.936,298-977-3,93841-08-8,Potassium 2-(3-sulphonatopropoxy)ethyl acrylate,potassium 3-[2-(acryloyloxy)ethoxy]propane-1-sulfonate,[K+].[O-]S(=O)(=O)CCCOCCOC(=O)C=C,[K+].[O-]S(=O)(=O)CCCOCCOC(=O)C=C,"InChI=1/C8H14O6S.K/c1-2-8(9)14-6-5-13-4-3-7-15(10,11)12;/h2H,1,3-7H2,(H,10,11,12);/q;+1/p-1",C8H14O6S.K,,,,,,JCBZJHANNRVJQV-UHFFFAOYSA-M,,,,,,,,,,,
100.089.940,298-982-0,93841-12-4,Allyldimethyl(3-sulphonatopropyl)ammonium,3-[allyl(dimethyl)ammonio]propane-1-sulfonate,C[N+](C)(CCCS(=O)(=O)[O-])CC=C,C[N+](C)(CCCS(=O)(=O)[O-])CC=C,"InChI=1/C8H17NO3S/c1-4-6-9(2,3)7-5-8-13(10,11)12/h4H,1,5-8H2,2-3H3",C8H17NO3S,,,,,,AAXOEELKVAXGBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.948,298-990-4,93841-20-4,1-methoxypiperidin-4-ol,1-methoxypiperidin-4-ol,CON1CCC(O)CC1,CON1CCC(O)CC1,"InChI=1/C6H13NO2/c1-9-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3",C6H13NO2,,,,,,SMXILXHGRZEYOP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.565,286-452-1,85237-89-4,"1-methylethyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate","isopropyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydrofuran-2-carboxylate",CC(C)OC(=O)C1(CC(=O)C)OC(=O)C(=C1C(=O)C)O,CC(C)OC(=O)C1(CC(=O)C)OC(=O)C(=C1C(=O)C)O,"InChI=1/C13H16O7/c1-6(2)19-12(18)13(5-7(3)14)9(8(4)15)10(16)11(17)20-13/h6,16H,5H2,1-4H3",C13H16O7,,,,,,KUXMLWMHNHWAKG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.566,286-453-7,85237-90-7,"2,2,4-trichloro-N,N-diethyl-3-oxobutyramide","2,2,4-trichloro-N,N-diethyl-3-oxobutanamide",CCN(CC)C(=O)C(Cl)(Cl)C(=O)CCl,CCN(CC)C(=O)C(Cl)(Cl)C(=O)CCl,"InChI=1/C8H12Cl3NO2/c1-3-12(4-2)7(14)8(10,11)6(13)5-9/h3-5H2,1-2H3",C8H12Cl3NO2,,,,,,PDMMOWMWGAVYQW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.951,298-994-6,93841-23-7,2-butyloctyl acrylate,2-butyloctyl acrylate,CCCCCCC(CCCC)COC(=O)C=C,CCCCCCC(CCCC)COC(=O)C=C,"InChI=1/C15H28O2/c1-4-7-9-10-12-14(11-8-5-2)13-17-15(16)6-3/h6,14H,3-5,7-13H2,1-2H3",C15H28O2,,,,,,YIQQHZJOSHVSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.957,299-000-3,93841-30-6,"3-[[dibromo(1H-1,2,4-triazol-3-ylsulphonyl)methyl]thio]-1H-1,2,4-triazole","3-{[dibromo(1H-1,2,4-triazol-3-ylsulfanyl)methyl]sulfonyl}-1H-1,2,4-triazole",BrC(Br)(Sc1nc[nH]n1)S(=O)(=O)c2nc[nH]n2,BrC(Br)(Sc1nc[nH]n1)S(=O)(=O)c2nc[nH]n2,"InChI=1/C5H4Br2N6O2S2/c6-5(7,16-3-8-1-10-12-3)17(14,15)4-9-2-11-13-4/h1-2H,(H,8,10,12)(H,9,11,13)",C5H4Br2N6O2S2,,,,,,WCKNZCVNPCVIPD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.958,299-001-9,93841-31-7,"3,3'-[(dibromomethylene)bis(sulphonyl)]bis(1H-1,2,4-triazole)","3,3'-[(dibromomethylene)disulfonyl]bis(1H-1,2,4-triazole)",BrC(Br)(S(=O)(=O)c1nc[nH]n1)S(=O)(=O)c2nc[nH]n2,BrC(Br)(S(=O)(=O)c1nc[nH]n1)S(=O)(=O)c2nc[nH]n2,"InChI=1/C5H4Br2N6O4S2/c6-5(7,18(14,15)3-8-1-10-12-3)19(16,17)4-9-2-11-13-4/h1-2H,(H,8,10,12)(H,9,11,13)",C5H4Br2N6O4S2,,,,,,OAGYRIWYDSEJQT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.961,299-005-0,93841-36-2,2-cyclopentyl-6-isobutyl-p-cresol,2-cyclopentyl-6-isobutyl-4-methylphenol,CC(C)Cc1cc(C)cc(C2CCCC2)c1O,CC(C)Cc1cc(C)cc(C2CCCC2)c1O,"InChI=1/C16H24O/c1-11(2)8-14-9-12(3)10-15(16(14)17)13-6-4-5-7-13/h9-11,13,17H,4-8H2,1-3H3",C16H24O,,,,,,GIAQITHFOGVYNA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.976,299-021-8,93841-51-1,(R)-[2-chloro-1-(3-chloro-4-hydroxyphenyl)-2-oxoethyl]ammonium chloride,2-chloro-1-(3-chloro-4-hydroxyphenyl)-2-oxoethanaminium chloride,[Cl-].[NH3+][C@@H](C(=O)Cl)c1ccc(O)c(Cl)c1,[Cl-].[NH3+][C@@H](C(=O)Cl)c1ccc(O)c(Cl)c1,"InChI=1/C8H7Cl2NO2.ClH/c9-5-3-4(1-2-6(5)12)7(11)8(10)13;/h1-3,7,12H,11H2;1H",C8H7Cl2NO2.ClH,,,,,,WAQZLMDGZJOXJG-OGFXRTJISA-N,,,,,,,,,,,
100.079.752,287-757-2,85567-44-8,"4-chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid","4-chloro-5-sulfamoyl-2-[(2,2,2-trifluoroethyl)amino]benzoic acid",NS(=O)(=O)c1cc(C(=O)O)c(NCC(F)(F)F)cc1Cl,NS(=O)(=O)c1cc(C(=O)O)c(NCC(F)(F)F)cc1Cl,"InChI=1/C9H8ClF3N2O4S/c10-5-2-6(15-3-9(11,12)13)4(8(16)17)1-7(5)20(14,18)19/h1-2,15H,3H2,(H,16,17)(H2,14,18,19)",C9H8ClF3N2O4S,,,,,,WSMGPMXMHGJUPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.755,287-760-9,85567-47-1,"3-amino-1,2-dimethyl-7-(dimethylamino)-5-(3-sulphonatophenyl)phenazinium","3-[3-amino-7-(dimethylamino)-1,2-dimethylphenazin-5-ium-5-yl]benzenesulfonate",CN(C)c1ccc2nc3c(C)c(C)c(N)cc3[n+](c4cccc(c4)S(=O)(=O)[O-])c2c1,CN(C)c1ccc2nc3c(C)c(C)c(N)cc3[n+](c4cccc(c4)S(=O)(=O)[O-])c2c1,"InChI=1/C22H22N4O3S/c1-13-14(2)22-21(12-18(13)23)26(16-6-5-7-17(10-16)30(27,28)29)20-11-15(25(3)4)8-9-19(20)24-22/h5-12,23H,1-4H3,(H,27,28,29)",C22H22N4O3S,,,,,,OACXLMJLRGRIFA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.756,287-761-4,85567-48-2,"[2,3-dichloro-4-(1H-tetrazol-5-ylmethoxy)phenyl]-2-thienylmethanone, potassium salt",-,[K+].Clc1c(OCc2nnn[nH]2)ccc(C(=O)c3cccs3)c1Cl,[K+].Clc1c(OCc2nnn[nH]2)ccc(C(=O)c3cccs3)c1Cl,"InChI=1/C13H8Cl2N4O2S.K/c14-11-7(13(20)9-2-1-5-22-9)3-4-8(12(11)15)21-6-10-16-18-19-17-10;/h1-5H,6H2,(H,16,17,18,19);/q;+1",C13H8Cl2N4O2S.K,,,,,,ZBYDHBILQAXIFH-UHFFFAOYSA-N,,,,,,,,,,,
100.079.770,287-777-1,85578-62-7,Ditridecylbenzene,"1,2-ditridecylbenzene",CCCCCCCCCCCCCc1ccccc1CCCCCCCCCCCCC,CCCCCCCCCCCCCc1ccccc1CCCCCCCCCCCCC,"InChI=1/C32H58/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-29-25-26-30-32(31)28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24,27-28H2,1-2H3",C32H58,,,,,,PODLNLIJRFYBJK-UHFFFAOYSA-N,,,,,,,,,,,
100.081.109,289-252-2,86579-41-1,"N,N'-bis(4-cyclohexylphenyl)benzene-1,4-diamine","N,N'-bis(4-cyclohexylphenyl)benzene-1,4-diamine",C1CCC(CC1)c2ccc(Nc3ccc(Nc4ccc(cc4)C5CCCCC5)cc3)cc2,C1CCC(CC1)c2ccc(Nc3ccc(Nc4ccc(cc4)C5CCCCC5)cc3)cc2,"InChI=1/C30H36N2/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)31-29-19-21-30(22-20-29)32-28-17-13-26(14-18-28)24-9-5-2-6-10-24/h11-24,31-32H,1-10H2",C30H36N2,,,,,,CTHNIBNPESVSGL-UHFFFAOYSA-N,,,,,,,,,,,
100.081.110,289-253-8,86579-42-2,"N-(4-cyclohexylphenyl)-N'-phenylbenzene-1,4-diamine","N-(4-cyclohexylphenyl)-N'-phenylbenzene-1,4-diamine",C1CCC(CC1)c2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2,C1CCC(CC1)c2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2,"InChI=1/C24H26N2/c1-3-7-19(8-4-1)20-11-13-22(14-12-20)26-24-17-15-23(16-18-24)25-21-9-5-2-6-10-21/h2,5-6,9-19,25-26H,1,3-4,7-8H2",C24H26N2,,,,,,UWPQISAFVOGQIC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.111,289-254-3,86579-43-3,"N,N'-bis[4-(1-phenylethyl)phenyl]benzene-1,4-diamine","N,N'-bis[4-(1-phenylethyl)phenyl]benzene-1,4-diamine",CC(c1ccccc1)c2ccc(Nc3ccc(Nc4ccc(cc4)C(C)c5ccccc5)cc3)cc2,CC(c1ccccc1)c2ccc(Nc3ccc(Nc4ccc(cc4)C(C)c5ccccc5)cc3)cc2,"InChI=1/C34H32N2/c1-25(27-9-5-3-6-10-27)29-13-17-31(18-14-29)35-33-21-23-34(24-22-33)36-32-19-15-30(16-20-32)26(2)28-11-7-4-8-12-28/h3-26,35-36H,1-2H3",C34H32N2,,,,,,RKMNUEMCLJPQJD-UHFFFAOYSA-N,,,,,,,,,,,
100.081.124,289-269-5,86674-90-0,"4-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane","4-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane",ClCC1COC(O1)c2ccc(Cl)cc2Cl,ClCC1COC(O1)c2ccc(Cl)cc2Cl,"InChI=1/C10H9Cl3O2/c11-4-7-5-14-10(15-7)8-2-1-6(12)3-9(8)13/h1-3,7,10H,4-5H2",C10H9Cl3O2,,,,,,UWFNCYWHUDMLAD-UHFFFAOYSA-N,,,,,,,,,,,
100.079.156,287-102-0,85409-33-2,"4-[(2-ethoxyphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monohydrochloride","4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carboximidamide hydrochloride",Cl.O=C2C(N=Nc1ccccc1OCC)C(\\C)=N/N2C(=N)N,Cl.O=C2C(N=Nc1ccccc1OCC)C(\C)=N/N2C(=N)N,"InChI=1/C13H16N6O2.ClH/c1-3-21-10-7-5-4-6-9(10)16-17-11-8(2)18-19(12(11)20)13(14)15;/h4-7,11H,3H2,1-2H3,(H3,14,15);1H",C13H16N6O2.ClH,,,,,,YIRUQQYTHPABHI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.890,289-011-1,85959-20-2,"Disodium 4,4'-iminobis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]","disodium 4,4'-iminobis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate)",[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cc(c(N)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cc(c(N)c5C(=O)c6ccccc6C(=O)c45)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C28H17N3O10S2.2Na/c29-23-17(42(36,37)38)9-15(19-21(23)27(34)13-7-3-1-5-11(13)25(19)32)31-16-10-18(43(39,40)41)24(30)22-20(16)26(33)12-6-2-4-8-14(12)28(22)35;;/h1-10,31H,29-30H2,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C28H17N3O10S2.2Na,,,,,,UEJHAGRAAMHYGD-UHFFFAOYSA-L,,,,,,,,,,,
100.080.893,289-014-8,85959-23-5,"5-[[2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid","5-({2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Oc2c(ccc(O)c2N=Nc1cc(ccc1O)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S(O)(=O)=O)S(O)(=O)=O,Oc2c(ccc(O)c2N=Nc1cc(ccc1O)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C28H18N8O14S2/c37-21-7-5-16(36(43)44)11-19(21)31-33-25-22(38)8-6-18(27(25)39)30-32-20-12-17(51(45,46)47)9-13-10-23(52(48,49)50)26(28(40)24(13)20)34-29-14-1-3-15(4-2-14)35(41)42/h1-12,37-40H,(H,45,46,47)(H,48,49,50)",C28H18N8O14S2,,,,,,LGXQDISFLSBKEI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.626,287-619-1,85563-48-0,Hexadecyl(2-hydroxyethyl)dimethylammonium dihydrogen phosphate,"N-(2-hydroxyethyl)-N,N-dimethylhexadecan-1-aminium dihydrogen phosphate",CCCCCCCCCCCCCCCC[N+](C)(C)CCO.[O-]P(=O)([O-])[O-],CCCCCCCCCCCCCCCC[N+](C)(C)CCO.[O-]P(=O)([O-])[O-],"InChI=1/C20H44NO.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20-22;1-5(2,3)4/h22H,4-20H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3",C20H44NO.H2O4P,,,,,,SGZVXLFVBKDMJH-UHFFFAOYSA-K,,,,,,,,,,,
100.080.997,289-128-8,86014-80-4,3-(chloromethyl)-1-azabicyclo[2.2.2]octane hydrochloride,3-(chloromethyl)quinuclidine hydrochloride,Cl.ClCC1CN2CCC1CC2,Cl.ClCC1CN2CCC1CC2,"InChI=1/C8H14ClN.ClH/c9-5-8-6-10-3-1-7(8)2-4-10;/h7-8H,1-6H2;1H",C8H14ClN.ClH,,,,,,HANURQCXXWCGHT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.823,288-937-3,85940-51-8,"Ethylhexadecyldimethylammonium 2,3,5,6-tetrachlorophenolate","N-ethyl-N,N-dimethylhexadecan-1-aminium 2,3,5,6-tetrachlorophenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl,"InChI=1/C20H44N.C6H2Cl4O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;7-2-1-3(8)5(10)6(11)4(2)9/h5-20H2,1-4H3;1,11H/q+1;/p-1",C20H44N.C6HCl4O,,,,,,YUYCXNUQBGFXTC-UHFFFAOYSA-M,,,,,,,,,,,
100.080.827,288-942-0,85940-55-2,Ethylhexadecyldimethylammonium p-benzylphenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium 4-benzylphenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cc2ccccc2)cc1,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cc2ccccc2)cc1,"InChI=1/C20H44N.C13H12O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h5-20H2,1-4H3;1-9,14H,10H2/q+1;/p-1",C20H44N.C13H11O,,,,,,ZSPSGUAUPYXZSV-UHFFFAOYSA-M,,,,,,,,,,,
100.080.829,288-944-1,85940-57-4,"Ethylhexadecyldimethylammonium 4-chloro-3,5-dimethylphenolate","N-ethyl-N,N-dimethylhexadecan-1-aminium 4-chloro-3,5-dimethylphenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.Cc1cc([O-])cc(C)c1Cl,CCCCCCCCCCCCCCCC[N+](C)(C)CC.Cc1cc([O-])cc(C)c1Cl,"InChI=1/C20H44N.C8H9ClO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-5-3-7(10)4-6(2)8(5)9/h5-20H2,1-4H3;3-4,10H,1-2H3/q+1;/p-1",C20H44N.C8H8ClO,,,,,,ASODHYNKPDTQGL-UHFFFAOYSA-M,,,,,,,,,,,
100.080.830,288-945-7,85940-58-5,Ethylhexadecyldimethylammonium 2-phenylphenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium biphenyl-2-olate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1c2ccccc2,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1c2ccccc2,"InChI=1/C20H44N.C12H10O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5-20H2,1-4H3;1-9,13H/q+1;/p-1",C20H44N.C12H9O,,,,,,ZBEKZEZPDKYHMJ-UHFFFAOYSA-M,,,,,,,,,,,
100.080.831,288-946-2,85940-59-6,Ethylhexadecyldimethylammonium phenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium phenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1,"InChI=1/C20H44N.C6H6O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;7-6-4-2-1-3-5-6/h5-20H2,1-4H3;1-5,7H/q+1;/p-1",C20H44N.C6H5O,,,,,,OLVQJAVLGPPFLN-UHFFFAOYSA-M,,,,,,,,,,,
100.080.842,288-958-8,85946-19-6,"4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",Clc1nc(nc(Cl)n1)Nc4cc(N=NC3\\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(cc4)S(O)(=O)=O,Clc1nc(nc(Cl)n1)Nc4cc(N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(cc4)S(O)(=O)=O,"InChI=1/C19H12Cl2N8O9S2/c20-17-23-18(21)25-19(24-17)22-8-1-6-12(40(36,37)38)11(7-8)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25)",C19H12Cl2N8O9S2,,,,,,MMAQGROUBPXPLL-UHFFFAOYSA-N,,,,,,,,,,,
100.080.873,288-992-3,85959-03-1,"Trisodium 3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-1,5-disulphonate","trisodium 3-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc3ccc(c(N=Nc2cc(c1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c3)S([O-])(=O)=O)nc(Cl)n4,[Na+].[Na+].[Na+].Clc4nc(Nc3ccc(c(N=Nc2cc(c1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c3)S([O-])(=O)=O)nc(Cl)n4,"InChI=1/C19H12Cl2N6O10S3.3Na/c20-17-23-18(21)25-19(24-17)22-8-4-5-12(38(29,30)31)10(6-8)26-27-11-7-14(40(35,36)37)9-2-1-3-13(39(32,33)34)15(9)16(11)28;;;/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;;/q;3*+1/p-3",C19H12Cl2N6O10S3.3Na,,,,,,XZOLNPXOULYRKE-UHFFFAOYSA-K,,,,,,,,,,,
100.079.730,287-733-1,85567-20-0,"Ethanol, 2-[[4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl][2-[[4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]-","2-({4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl}[2-({4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl}amino)ethyl]amino)ethanol",COCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(NCCN(CCO)c3nc(nc(n3)N(CCCOC)C4CC(C)(C)NC(C)(C)C4)N(CCCOC)C5CC(C)(C)NC(C)(C)C5)nc(n2)N(CCCOC)C6CC(C)(C)NC(C)(C)C6,COCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(NCCN(CCO)c3nc(nc(n3)N(CCCOC)C4CC(C)(C)NC(C)(C)C4)N(CCCOC)C5CC(C)(C)NC(C)(C)C5)nc(n2)N(CCCOC)C6CC(C)(C)NC(C)(C)C6,"InChI=1/C62H118N16O5/c1-55(2)37-45(38-56(3,4)70-55)75(26-21-33-80-17)51-64-49(65-52(68-51)76(27-22-34-81-18)46-39-57(5,6)71-58(7,8)40-46)63-25-30-74(31-32-79)50-66-53(77(28-23-35-82-19)47-41-59(9,10)72-60(11,12)42-47)69-54(67-50)78(29-24-36-83-20)48-43-61(13,14)73-62(15,16)44-48/h45-48,70-73,79H,21-44H2,1-20H3,(H,63,64,65,68)",C62H118N16O5,,,,,,WVAQUYPUMUIAAE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.204,298-172-7,93778-36-0,L-arginine maleate,L-arginine but-2-enedioate,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)\\C=C/C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)\C=C/C(=O)O,"InChI=1/C6H14N4O2.C4H4O4/c7-4(5(11)12)2-1-3-10-6(8)9;5-3(6)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-2H,(H,5,6)(H,7,8)",C6H14N4O2.C4H4O4,,,,,,VNFMIHBKZKZIQO-HSBCLPKZSA-N,,,,,,,,,,,
100.089.207,298-175-3,93778-39-3,"L-aspartic acid, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)","L-aspartic acid - 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (1:1)",Cc1ncc(CO)c(CO)c1O.N[C@@H](CC(=O)O)C(=O)O,Cc1ncc(CO)c(CO)c1O.N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C8H11NO3.C4H7NO4/c1-5-8(12)7(4-11)6(3-10)2-9-5;5-2(4(8)9)1-3(6)7/h2,10-12H,3-4H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)",C8H11NO3.C4H7NO4,,,,,,GZIJVBKRKQPECN-WNQIDUERSA-N,,,,,,,,,,,
100.089.208,298-176-9,93778-40-6,Betaine D-galacturonate,-,C[N+](C)(C)CC(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],C[N+](C)(C)CC(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-],"InChI=1/C6H10O7.C5H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-6(2,3)4-5(7)8/h1-5,8-11H,(H,12,13);4H2,1-3H3/p-1",C6H9O7.C5H12NO2,,,,,,NTRGSJJAAMSXHU-RMTXHFLUSA-M,,,,,,,,,,,
100.089.217,298-186-3,93778-49-5,"4-chloro-3-[4-[(3-formylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-chloro-3-{4-[(3-formylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(C=O)ccc2)C3=O,OS(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(C=O)ccc2)C3=O,"InChI=1/C17H13ClN4O5S/c1-10-16(20-19-12-4-2-3-11(7-12)9-23)17(24)22(21-10)15-8-13(28(25,26)27)5-6-14(15)18/h2-9,16H,1H3,(H,25,26,27)",C17H13ClN4O5S,,,,,,OWWLDYMLENILKR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.218,298-187-9,93778-50-8,"Trisodium hydrogen 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate","trisodium hydrogen 2-({4-chloro-6-[(3-{[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-5-sulfonatobenzoate",[H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(c5)C([O-])=O,[H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(c5)C([O-])=O,"InChI=1/C26H18Cl3N9O12S3.3Na.H2/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41;;;;/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;;1H/q;4*+1/p-4",C26H18Cl3N9O12S3.3Na,,,,,,MFAZCIICUPWTEK-UHFFFAOYSA-K,,,,,,,,,,,
100.089.219,298-188-4,93778-51-9,"2-[[6-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid","2-{[6-({4-[ethyl(phenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfo-2-naphthyl]diazenyl}naphthalene-1,5-disulfonic acid",CCN(c1ccccc1)c6nc(F)nc(Nc4cc5cc(c(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O)n6,CCN(c1ccccc1)c6nc(F)nc(Nc4cc5cc(c(N=Nc3ccc2c(cccc2c3S(O)(=O)=O)S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O)n6,"InChI=1/C31H24FN7O10S3/c1-2-39(19-7-4-3-5-8-19)31-35-29(32)34-30(36-31)33-18-11-12-20-17(15-18)16-25(51(44,45)46)26(27(20)40)38-37-23-14-13-21-22(28(23)52(47,48)49)9-6-10-24(21)50(41,42)43/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36)",C31H24FN7O10S3,,,,,,QKYFSRKMWXEBDB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.241,298-212-3,93778-77-9,1-(allyloxy)-3-(dimethylamino)propan-2-ol hydrochloride,1-(allyloxy)-3-(dimethylamino)propan-2-ol hydrochloride,Cl.CN(C)CC(O)COCC=C,Cl.CN(C)CC(O)COCC=C,"InChI=1/C8H17NO2.ClH/c1-4-5-11-7-8(10)6-9(2)3;/h4,8,10H,1,5-7H2,2-3H3;1H",C8H17NO2.ClH,,,,,,WSZAPMGDUPIFRA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.246,298-218-6,93783-12-1,Disodium 8-(phenylamino)-5-[[4-[(6-sulphonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonate,disodium 8-anilino-5-({4-[(6-sulfonato-1-naphthyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)cccc7N=Nc6ccc(N=Nc4ccc(Nc2ccccc2)c3c(cccc34)S([O-])(=O)=O)c5ccccc56,[Na+].[Na+].[O-]S(=O)(=O)c1ccc7c(c1)cccc7N=Nc6ccc(N=Nc4ccc(Nc2ccccc2)c3c(cccc34)S([O-])(=O)=O)c5ccccc56,"InChI=1/C36H25N5O6S2.2Na/c42-48(43,44)25-16-17-26-23(22-25)8-6-14-30(26)38-39-31-18-19-32(28-12-5-4-11-27(28)31)40-41-33-20-21-34(37-24-9-2-1-3-10-24)36-29(33)13-7-15-35(36)49(45,46)47;;/h1-22,37H,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C36H25N5O6S2.2Na,,,,,,HCGXUDSLCQMJSF-UHFFFAOYSA-L,,,,,,,,,,,
100.090.876,300-010-8,93919-25-6,Sodium 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]azo]salicylate,sodium 5-({4-[(4-amino-3-methylbenzoyl)amino]phenyl}diazenyl)-2-hydroxybenzoate,[Na+].O=C([O-])c1cc(ccc1O)N=Nc3ccc(NC(=O)c2ccc(N)c(C)c2)cc3,[Na+].O=C([O-])c1cc(ccc1O)N=Nc3ccc(NC(=O)c2ccc(N)c(C)c2)cc3,"InChI=1/C21H18N4O4.Na/c1-12-10-13(2-8-18(12)22)20(27)23-14-3-5-15(6-4-14)24-25-16-7-9-19(26)17(11-16)21(28)29;/h2-11,26H,22H2,1H3,(H,23,27)(H,28,29);/q;+1/p-1",C21H18N4O4.Na,,,,,,PAPFJSHVOZXVDQ-UHFFFAOYSA-M,,,,,,,,,,,
100.092.626,301-936-5,94087-41-9,"1,3,5-triazine-2,4,6-triamine mononitrate","1,3,5-triazine-2,4,6-triamine nitrate",Nc1nc(N)nc(N)n1.O[N+](=O)[O-],Nc1nc(N)nc(N)n1.O[N+](=O)[O-],"InChI=1/C3H6N6.HNO3/c4-1-7-2(5)9-3(6)8-1;2-1(3)4/h(H6,4,5,6,7,8,9);(H,2,3,4)",C3H6N6.HNO3,,,,,,CSGNMMLYYZTWBB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.986,299-032-8,93841-62-4,"2,2-dimethoxyethyl[(6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)methylene]amine","2,2-dimethoxy-N-[(6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)methylene]ethanamine",COC(OC)CN=Cc2cc(C)c3nc1ccc(OC)cc1c3c2C,COC(OC)CN=Cc2cc(C)c3nc1ccc(OC)cc1c3c2C,"InChI=1/C20H24N2O3/c1-12-8-14(10-21-11-18(24-4)25-5)13(2)19-16-9-15(23-3)6-7-17(16)22-20(12)19/h6-10,18,22H,11H2,1-5H3",C20H24N2O3,,,,,,RNHYBKIMERJWKO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.757,286-662-3,85305-25-5,Iminodipropanol,"1,1'-iminodipropan-1-ol",CCC(O)NC(O)CC,CCC(O)NC(O)CC,"InChI=1/C6H15NO2/c1-3-5(8)7-6(9)4-2/h5-9H,3-4H2,1-2H3",C6H15NO2,,,,,,XQBZHSJBHHUNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.760,286-666-5,85305-28-8,"Bis(1,3-dihydroxybutyl)benzenediol","3,4-bis(1,3-dihydroxybutyl)benzene-1,2-diol",CC(O)CC(O)c1ccc(O)c(O)c1C(O)CC(C)O,CC(O)CC(O)c1ccc(O)c(O)c1C(O)CC(C)O,"InChI=1/C14H22O6/c1-7(15)5-11(18)9-3-4-10(17)14(20)13(9)12(19)6-8(2)16/h3-4,7-8,11-12,15-20H,5-6H2,1-2H3",C14H22O6,,,,,,LLYJFEWETFSPJK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.996,299-043-8,93841-72-6,"2,2'-[(2-undecyloxazol-4(5H)-ylidene)bis(methyleneoxy)]bisethanol","2,2'-[(2-undecyl-4,5-dihydro-1,3-oxazole-4,4-diyl)bis(methyleneoxy)]diethanol",CCCCCCCCCCCC1=NC(COCCO)(COCCO)CO1,CCCCCCCCCCCC1=NC(COCCO)(COCCO)CO1,"InChI=1/C20H39NO5/c1-2-3-4-5-6-7-8-9-10-11-19-21-20(18-26-19,16-24-14-12-22)17-25-15-13-23/h22-23H,2-18H2,1H3",C20H39NO5,,,,,,LVTVNBZPWLZHIS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.998,299-045-9,93841-74-8,"Hexasodium tetrahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",hexasodium tetrahydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.6Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;/q;6*+1/p-10",C9H28N3O15P5.6Na,,,,,,RGIYWVNNHVURLO-UHFFFAOYSA-D,,,,,,,,,,,
100.091.642,300-852-6,93964-05-7,1-ethyl-1-methylheptyl formate,1-ethyl-1-methylheptyl formate,CCCCCCC(C)(CC)OC=O,CCCCCCC(C)(CC)OC=O,"InChI=1/C11H22O2/c1-4-6-7-8-9-11(3,5-2)13-10-12/h10H,4-9H2,1-3H3",C11H22O2,,,,,,ZARHEEPZMZOKBS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.655,300-866-2,93964-18-2,2-[2-(4-amino-2-sulphophenyl)vinyl]-5-[[4-[(4-sulphophenyl)azo]-1-naphthyl]-NNO-azoxy]benzenesulphonic acid,5-amino-2-{2-[2-sulfo-4-({4-[(4-sulfophenyl)diazenyl]-1-naphthyl}-NNO-azoxy)phenyl]vinyl}benzenesulfonic acid,OS(=O)(=O)c5cc(N)ccc5/C=C/c1ccc(cc1S(O)(=O)=O)[N+](\\[O-])=N/c4ccc(N=Nc2ccc(cc2)S(O)(=O)=O)c3ccccc34,OS(=O)(=O)c5cc(N)ccc5/C=C/c1ccc(cc1S(O)(=O)=O)[N+](\[O-])=N/c4ccc(N=Nc2ccc(cc2)S(O)(=O)=O)c3ccccc34,"InChI=1/C30H23N5O10S3/c31-21-9-7-19(29(17-21)47(40,41)42)5-6-20-8-12-23(18-30(20)48(43,44)45)35(36)34-28-16-15-27(25-3-1-2-4-26(25)28)33-32-22-10-13-24(14-11-22)46(37,38)39/h1-18H,31H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)",C30H23N5O10S3,,,,,,NJCNEUZGZDKMHX-FWMFJHBJSA-N,,,,,,,,,,,
100.088.123,296-979-9,93165-90-3,"1-Tridecanol, phosphate, cobalt(2+) salt",cobalt(2+) tridecyl phosphate,[Co+2].CCCCCCCCCCCCCOP(=O)([O-])[O-],[Co+2].CCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C13H29O4P.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H2,14,15,16);/q;+2/p-2",-,,,,,,UDGAQZUKJSHOJM-UHFFFAOYSA-L,,,,,,,,,,,
100.089.750,298-771-3,93839-00-0,5-chloro-3-ethyl-2-[[1-ethyl-4-[(3-ethyl-3H-benzoselenazol-2-ylidene)ethylidene]-5-oxo-3-phenylimidazolidin-2-ylidene]methyl]benzothiazolium iodide,"5-chloro-3-ethyl-2-({1-ethyl-4-[2-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)ethylidene]-5-oxo-3-phenylimidazolidin-2-ylidene}methyl)-1,3-benzothiazol-3-ium iodide",[I-].CC[n+]5c6cc(Cl)ccc6sc5C=C4N(CC)C(=O)C(=CC=C2[Se]c1ccccc1N2CC)N4c3ccccc3,[I-].CC[n+]5c6cc(Cl)ccc6sc5C=C4N(CC)C(=O)C(=CC=C2[Se]c1ccccc1N2CC)N4c3ccccc3,"InChI=1/C32H30ClN4OSSe.HI/c1-4-34-26-20-22(33)16-18-27(26)39-30(34)21-29-36(6-3)32(38)25(37(29)23-12-8-7-9-13-23)17-19-31-35(5-2)24-14-10-11-15-28(24)40-31;/h7-21H,4-6H2,1-3H3;1H/q+1;/p-1",C32H30ClN4OSSe.I,,,,,,SBGZIEIUMAZYSW-UHFFFAOYSA-M,,,,,,,,,,,
100.089.754,298-776-0,93839-05-5,"1,3,3-trimethylbicyclo[2.2.1]hept-2-yl stearate","1,3,3-trimethylbicyclo[2.2.1]hept-2-yl stearate",CCCCCCCCCCCCCCCCCC(=O)OC1C(C)(C)C2CCC1(C)C2,CCCCCCCCCCCCCCCCCC(=O)OC1C(C)(C)C2CCC1(C)C2,"InChI=1/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-26-27(2,3)24-21-22-28(26,4)23-24/h24,26H,5-23H2,1-4H3",C28H52O2,,,,,,MSCSYRZMJVLHSI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.770,298-793-3,93839-23-7,3-allyl-5-[(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxooxazolidin-4-one,"3-allyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxo-1,3-oxazolidin-4-one",C=CCN2C(=O)C(=CC=C1CCCN1C)OC2=S,C=CCN2C(=O)C(=CC=C1CCCN1C)OC2=S,"InChI=1/C13H16N2O2S/c1-3-8-15-12(16)11(17-13(15)18)7-6-10-5-4-9-14(10)2/h3,6-7H,1,4-5,8-9H2,2H3",C13H16N2O2S,,,,,,MIMXHVDWSFTTPH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.772,298-795-4,93839-26-0,"Octadecyl tetradecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)","octadecyl tetradecyl hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.O=P(O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC,OCCN(CCO)CCO.O=P(O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC,"InChI=1/C32H67O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-37(33,34)35-31-29-27-25-23-21-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-32H2,1-2H3,(H,33,34);8-10H,1-6H2",C32H67O4P.C6H15NO3,,,,,,GQPSNFWNKRTZOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.898,289-020-0,85959-28-0,"4-(3-amino-3-oxopropyl)-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)azo]-1-(phenylmethyl)-1H-1,2,4-triazolium chloride","4-(3-amino-3-oxopropyl)-1-benzyl-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)diazenyl]-4,5-dihydro-1H-1,2,4-triazol-1-ium chloride",[Cl-].O=C(N)CCN5/C=N\\[NH+](Cc1ccccc1)C5N=Nc4c2ccccc2n(CC)c4c3ccccc3,[Cl-].O=C(N)CCN5/C=N\[NH+](Cc1ccccc1)C5N=Nc4c2ccccc2n(CC)c4c3ccccc3,"InChI=1/C28H29N7O.ClH/c1-2-34-24-16-10-9-15-23(24)26(27(34)22-13-7-4-8-14-22)31-32-28-33(18-17-25(29)36)20-30-35(28)19-21-11-5-3-6-12-21;/h3-16,20,28H,2,17-19H2,1H3,(H2,29,36);1H",C28H28N7O.Cl,,,,,,VEYULNDYWIZDQV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.900,289-022-1,85959-30-4,"4-amino-5-hydroxy-6-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid","4-amino-5-hydroxy-6-[(2-methoxy-5-methyl-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonic acid",COc4cc(c(C)cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,COc4cc(c(C)cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O,"InChI=1/C28H29N5O20S6/c1-15-11-19(20(51-2)14-21(15)55(37,38)10-8-53-59(48,49)50)31-33-27-23(57(42,43)44)13-16-12-22(56(39,40)41)26(25(29)24(16)28(27)34)32-30-17-3-5-18(6-4-17)54(35,36)9-7-52-58(45,46)47/h3-6,11-14,34H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)",C28H29N5O20S6,,,,,,OMXJQNIVFPWVOO-UHFFFAOYSA-N,,,,,,,,,,,
100.079.182,287-130-3,85409-60-5,"1,4-bis[(3-methylbutyl)amino]anthraquinone","1,4-bis[(3-methylbutyl)amino]-9,10-anthraquinone",CC(C)CCNc1ccc(NCCC(C)C)c2C(=O)c3ccccc3C(=O)c12,CC(C)CCNc1ccc(NCCC(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C24H30N2O2/c1-15(2)11-13-25-19-9-10-20(26-14-12-16(3)4)22-21(19)23(27)17-7-5-6-8-18(17)24(22)28/h5-10,15-16,25-26H,11-14H2,1-4H3",C24H30N2O2,,,,,,SJTIMPRLGIEWAC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.194,287-143-4,85409-73-0,"N-[5-[(2-butoxy-2-hydroxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide","N-{5-[(2-butoxy-2-hydroxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(NCC(O)OCCCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(NCC(O)OCCCC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H25ClN6O8/c1-4-5-6-36-20(30)11-23-17-9-15(24-12(2)29)16(10-19(17)35-3)25-26-21-14(22)7-13(27(31)32)8-18(21)28(33)34/h7-10,20,23,30H,4-6,11H2,1-3H3,(H,24,29)",C21H25ClN6O8,,,,,,HFRNBOQRHDDPJN-UHFFFAOYSA-N,,,,,,,,,,,
100.079.200,287-150-2,85409-79-6,"Phosphoric acid, methyl ester, compd. with 2,2'-iminobis[ethanol]","methyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",COP(=O)(O)O.OCCNCCO,COP(=O)(O)O.OCCNCCO,"InChI=1/C4H11NO2.CH5O4P/c6-3-1-5-2-4-7;1-5-6(2,3)4/h5-7H,1-4H2;1H3,(H2,2,3,4)",-,,,,,,ZEELIZFRNFOCKY-UHFFFAOYSA-N,,,,,,,,,,,
100.079.215,287-167-5,85409-94-5,Potassium dibutylnaphthalenesulphonate,"potassium 2,3-dibutylnaphthalene-1-sulfonate",[K+].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-],[K+].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-],"InChI=1/C18H24O3S.K/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;+1/p-1",C18H24O3S.K,,,,,,ZLPDNQKSWRKHIP-UHFFFAOYSA-M,,,,,,,,,,,
100.080.917,289-041-5,85959-47-3,Disodium 5-[[4-[[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]salicylate,disodium 5-{[4-({4-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-2-hydroxybenzoate,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)cc5,[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)cc5,"InChI=1/C30H22N6O8S.2Na/c31-18-4-1-17-13-26(45(42,43)44)27(28(38)23(17)14-18)36-34-21-9-7-19(8-10-21)32-29(39)16-2-5-20(6-3-16)33-35-22-11-12-25(37)24(15-22)30(40)41;;/h1-15,37-38H,31H2,(H,32,39)(H,40,41)(H,42,43,44);;/q;2*+1/p-2",C30H22N6O8S.2Na,,,,,,WKJLXUBMIJDHIZ-UHFFFAOYSA-L,,,,,,,,,,,
100.080.922,289-046-2,85959-52-0,Sodium 3-[[5-(anilinosulphonyl)-4-methylphenyl]azo]-4-hydroxynaphthalene-1-sulphonate,sodium 4-hydroxy-3-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-1-sulfonate,[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O,[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=Nc4cc(c3ccccc3c4O)S([O-])(=O)=O,"InChI=1/C23H19N3O6S2.Na/c1-15-11-12-17(13-21(15)33(28,29)26-16-7-3-2-4-8-16)24-25-20-14-22(34(30,31)32)18-9-5-6-10-19(18)23(20)27;/h2-14,26-27H,1H3,(H,30,31,32);/q;+1/p-1",C23H19N3O6S2.Na,,,,,,KKJOSHGDFRDDGD-UHFFFAOYSA-M,,,,,,,,,,,
100.080.924,289-048-3,85959-54-2,"5-[[1-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile","5-{[1-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]diazenyl}-6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",C\\C3=C(/C#N)C(=O)N(C)C(\\O)=C3\\N=Nc1ccn(n1)c2cc(Cl)c(Cl)cc2,C\C3=C(/C#N)C(=O)N(C)C(\O)=C3\N=Nc1ccn(n1)c2cc(Cl)c(Cl)cc2,"InChI=1/C17H12Cl2N6O2/c1-9-11(8-20)16(26)24(2)17(27)15(9)22-21-14-5-6-25(23-14)10-3-4-12(18)13(19)7-10/h3-7,27H,1-2H3",C17H12Cl2N6O2,,,,,,XDYYKUOBCJVOBV-UHFFFAOYSA-N,,,,,,,,,,,
100.082.398,290-672-3,90210-34-7,"1,3-dibutyl-2-[3-(triethoxysilyl)propyl]isothiouronium chloride",N-[(butylamino){[3-(triethoxysilyl)propyl]sulfanyl}methylene]butan-1-aminium chloride,[Cl-].CCCCNC(=[NH+]CCCC)SCCC[Si](OCC)(OCC)OCC,[Cl-].CCCCNC(=[NH+]CCCC)SCCC[Si](OCC)(OCC)OCC,"InChI=1/C18H40N2O3SSi.ClH/c1-6-11-14-19-18(20-15-12-7-2)24-16-13-17-25(21-8-3,22-9-4)23-10-5;/h6-17H2,1-5H3,(H,19,20);1H",C18H40N2O3SSi.ClH,,,,,,FCOFMTYCHMIOMN-UHFFFAOYSA-N,,,,,,,,,,,
100.082.399,290-673-9,90210-35-8,"1,3-diphenyl-2-[3-(triethoxysilyl)propyl]isothiourea, monohydrochloride","3-(triethoxysilyl)propyl N,N'-diphenylimidothiocarbamate hydrochloride",Cl.CCO[Si](CCCS\\C(=N/c1ccccc1)\\Nc2ccccc2)(OCC)OCC,Cl.CCO[Si](CCCS\C(=N/c1ccccc1)\Nc2ccccc2)(OCC)OCC,"InChI=1/C22H32N2O3SSi.ClH/c1-4-25-29(26-5-2,27-6-3)19-13-18-28-22(23-20-14-9-7-10-15-20)24-21-16-11-8-12-17-21;/h7-12,14-17H,4-6,13,18-19H2,1-3H3,(H,23,24);1H",C22H32N2O3SSi.ClH,,,,,,XPKLMMUQSDXPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.740,287-744-1,85567-30-2,2-methoxyethyl 3-methyl-2-butenoate,2-methoxyethyl 3-methylbut-2-enoate,COCCOC(=O)C=C(C)C,COCCOC(=O)C=C(C)C,"InChI=1/C8H14O3/c1-7(2)6-8(9)11-5-4-10-3/h6H,4-5H2,1-3H3",C8H14O3,,,,,,BITJPBJZZOLBEB-UHFFFAOYSA-N,,,,,,,,,,,
100.079.746,287-750-4,85567-36-8,Magnesium glutarate,magnesium glutarate,[Mg+2].[O-]C(=O)CCCC(=O)[O-],[Mg+2].[O-]C(=O)CCCC(=O)[O-],"InChI=1/C5H8O4.Mg/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);/q;+2/p-2",C5H8O4.Mg,,,,,,NKBDSFGVUTVKAD-UHFFFAOYSA-L,,,,,,,,,,,
100.079.747,287-752-5,85567-39-1,Sodium bis(2-hydroxyethyl)[2-(sulphooxy)ethyl]sulphonium sulphate,bis(2-hydroxyethyl)[2-(sulfooxy)ethyl]sulfonium sodium sulfate,[Na+].OCC[S+](CCO)CCOS(=O)(=O)O.[O-]S(=O)(=O)[O-],[Na+].OCC[S+](CCO)CCOS(=O)(=O)O.[O-]S(=O)(=O)[O-],"InChI=1/C6H14O6S2.Na.H2O4S/c7-1-4-13(5-2-8)6-3-12-14(9,10)11;;1-5(2,3)4/h7-8H,1-6H2;;(H2,1,2,3,4)/q;+1;/p-1",C6H15O6S2.HO4S.Na,,,,,,VDZVLGOXDIVUAS-UHFFFAOYSA-M,,,,,,,,,,,
100.079.748,287-753-0,85567-40-4,"2,3-bis(2,5-dimethylphenoxy)propan-1-ol","2,3-bis(2,5-dimethylphenoxy)propan-1-ol",Cc1ccc(C)c(OCC(CO)Oc2cc(C)ccc2C)c1,Cc1ccc(C)c(OCC(CO)Oc2cc(C)ccc2C)c1,"InChI=1/C19H24O3/c1-13-5-7-15(3)18(9-13)21-12-17(11-20)22-19-10-14(2)6-8-16(19)4/h5-10,17,20H,11-12H2,1-4H3",C19H24O3,,,,,,NGOWNHSGMNQALN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.252,289-409-5,88351-63-7,Methyl N-[3-(acetylamino)phenyl]-N-ethyl-ß-alaninate,methyl N-(3-acetamidophenyl)-N-ethyl-beta-alaninate,CC(=O)Nc1cc(ccc1)N(CCC(=O)OC)CC,CC(=O)Nc1cc(ccc1)N(CCC(=O)OC)CC,"InChI=1/C14H20N2O3/c1-4-16(9-8-14(18)19-3)13-7-5-6-12(10-13)15-11(2)17/h5-7,10H,4,8-9H2,1-3H3,(H,15,17)",C14H20N2O3,,,,,,AOEBDRLRNJNHSY-UHFFFAOYSA-N,,,,,,,,,,,
100.081.253,289-410-0,88372-24-1,"3-amino-N-[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]benzamide","3-amino-N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]benzamide",Cc1cc(C)c(N2N=C(CC2=O)NC(=O)c3cccc(N)c3)c(Cl)c1,Cc1cc(C)c(N2N=C(CC2=O)NC(=O)c3cccc(N)c3)c(Cl)c1,"InChI=1/C18H17ClN4O2/c1-10-6-11(2)17(14(19)7-10)23-16(24)9-15(22-23)21-18(25)12-4-3-5-13(20)8-12/h3-8H,9,20H2,1-2H3,(H,21,22,25)",C18H17ClN4O2,,,,,,OABRACVPJGRIOI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.275,289-434-1,88641-45-6,Retinyl cyclopentanecarboxylate,O~15~-(cyclopentylcarbonyl)retinoic acid,C\\C(=C/C=C/C(=C/C(=O)OC(=O)C1CCCC1)/C)\\C=C\\C2=C(C)CCCC2(C)C,C\C(=C/C=C/C(=C/C(=O)OC(=O)C1CCCC1)/C)\C=C\C2=C(C)CCCC2(C)C,"InChI=1/C26H36O3/c1-19(15-16-23-21(3)12-9-17-26(23,4)5)10-8-11-20(2)18-24(27)29-25(28)22-13-6-7-14-22/h8,10-11,15-16,18,22H,6-7,9,12-14,17H2,1-5H3",C26H38O2,,,,,,AQATYODUBKUTKI-FUQLHJDNSA-N,,,,,,,,,,,
100.081.277,289-436-2,88658-04-2,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]-9-octadecenamide,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]octadec-9-enamide,CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCN,CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCN,"InChI=1/C24H50N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h9-10,26-27H,2-8,11-23,25H2,1H3,(H,28,29)",C24H50N4O,,,,,,WQTPDIMWAXFYPL-UHFFFAOYSA-N,,,,,,,,,,,
100.081.280,289-439-9,88684-04-2,Sodium 2-hydroxy-3-[3-(trihydroxysilyl)propoxy]propanesulphonate,sodium 2-hydroxy-3-[3-(trihydroxysilyl)propoxy]propane-1-sulfonate,[Na+].OC(COCCC[Si](O)(O)O)CS(=O)(=O)[O-],[Na+].OC(COCCC[Si](O)(O)O)CS(=O)(=O)[O-],"InChI=1/C6H16O8SSi.Na/c7-6(5-15(8,9)10)4-14-2-1-3-16(11,12)13;/h6-7,11-13H,1-5H2,(H,8,9,10);/q;+1/p-1",C6H16O8SSi.Na,,,,,,FWOXFVYHZDYFCX-UHFFFAOYSA-M,,,,,,,,,,,
100.081.285,289-445-1,88768-45-0,(pyrimidin-2-ylthio)acetic acid,(pyrimidin-2-ylsulfanyl)acetic acid,OC(=O)CSc1ncccn1,OC(=O)CSc1ncccn1,"InChI=1/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)",C6H6N2O2S,,,,,,NIEOYUNNKKAQKI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.287,289-447-2,88793-80-0,N-[(benzyloxy)carbonyl]glycyl-L-prolyl-N-(p-nitrophenyl)-L-argininamide monoacetate,N-[(benzyloxy)carbonyl]glycyl-L-prolyl-N-(4-nitrophenyl)-L-argininamide acetate,O=C(N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O)[C@@H]3CCCN3C(=O)CNC(=O)OCc2ccccc2.CC(O)=O,O=C(N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O)[C@@H]3CCCN3C(=O)CNC(=O)OCc2ccccc2.CC(O)=O,"InChI=1/C27H34N8O7.C2H4O2/c28-26(29)30-14-4-8-21(24(37)32-19-10-12-20(13-11-19)35(40)41)33-25(38)22-9-5-15-34(22)23(36)16-31-27(39)42-17-18-6-2-1-3-7-18;1-2(3)4/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,31,39)(H,32,37)(H,33,38)(H4,28,29,30);1H3,(H,3,4)",C27H34N8O7.C2H4O2,,,,,,FPMAXHHYPVIJMC-VROPFNGYSA-N,,,,,,,,,,,
100.092.627,301-937-0,94087-42-0,"Phthalic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)","phthalic acid - 1,3,5-triazine-2,4,6-triamine (1:2)",Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OC(=O)c3ccccc3C(=O)O,Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OC(=O)c3ccccc3C(=O)O,"InChI=1/C8H6O4.2C3H6N6/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*4-1-7-2(5)9-3(6)8-1/h1-4H,(H,9,10)(H,11,12);2*(H6,4,5,6,7,8,9)",C8H6O4.2C3H6N6,,,,,,HGXSXPWOOWFPMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.629,301-939-1,94087-48-6,Disodium dihydrogen [(octylimino)bis(methylene)]bisphosphonate,disodium dihydrogen [(octylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.2Na/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;/q;2*+1/p-4",C10H25NO6P2.2Na,,,,,,AYAHNBSQGCKBAL-UHFFFAOYSA-J,,,,,,,,,,,
100.092.630,301-940-7,94087-49-7,Disodium dihydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate,disodium dihydrogen {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.2Na/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;/q;2*+1/p-4",C10H25NO6P2.2Na,,,,,,RLZMAOVRGDAMRH-UHFFFAOYSA-J,,,,,,,,,,,
100.092.632,301-942-8,94087-51-1,Tetrasodium [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate,tetrasodium {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.4Na/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4",C10H25NO6P2.4Na,,,,,,FPTUECMJLWWTSF-UHFFFAOYSA-J,,,,,,,,,,,
100.092.639,301-950-1,94087-58-8,"2,4,6-trichlorophenol, compound with 2,2',2''-nitrilotriethanol (1:1)","2,2',2''-nitrilotriethanol - 2,4,6-trichlorophenol (1:1)",OCCN(CCO)CCO.Oc1c(Cl)cc(Cl)cc1Cl,OCCN(CCO)CCO.Oc1c(Cl)cc(Cl)cc1Cl,"InChI=1/C6H3Cl3O.C6H15NO3/c7-3-1-4(8)6(10)5(9)2-3;8-4-1-7(2-5-9)3-6-10/h1-2,10H;8-10H,1-6H2",C6H15NO3.C6H3Cl3O,,,,,,YJCCMXZXCGXXAD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.641,301-952-2,94087-60-2,"2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl [1-(3-chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]carbamate","2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl [1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]carbamate",CCCCCCCCCCCCCCc1cc(Cl)c(C)cc1OCCOC(=O)NC2=NN(C(=O)C2)c3cccc(Cl)c3,CCCCCCCCCCCCCCc1cc(Cl)c(C)cc1OCCOC(=O)NC2=NN(C(=O)C2)c3cccc(Cl)c3,"InChI=1/C33H45Cl2N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-26-22-29(35)25(2)21-30(26)41-19-20-42-33(40)36-31-24-32(39)38(37-31)28-18-15-17-27(34)23-28/h15,17-18,21-23H,3-14,16,19-20,24H2,1-2H3,(H,36,37,40)",C33H45Cl2N3O4,,,,,,XUAJUKQKJZJNMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.643,301-954-3,94087-62-4,"Sodium 5-[[5-(benzoylamino)-2-[[1-(4-ethoxy-3-sulphophenyl)-3-heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-4-yl]azo]phenyl]sulphonyl]salicylate","sodium 5-{[5-(benzoylamino)-2-{[1-(4-ethoxy-3-sulfophenyl)-3-heptadecyl-4-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}phenyl]sulfonyl}-2-hydroxybenzoate",[Na+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c5cc(NC(=O)c2ccccc2)ccc5N=NC4(C)C(\\CCCCCCCCCCCCCCCCC)=N/N(c3cc(c(OCC)cc3)S(O)(=O)=O)C4=O,[Na+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c5cc(NC(=O)c2ccccc2)ccc5N=NC4(C)C(\CCCCCCCCCCCCCCCCC)=N/N(c3cc(c(OCC)cc3)S(O)(=O)=O)C4=O,"InChI=1/C49H61N5O11S2.Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-45-49(3,48(59)54(52-45)37-27-31-42(65-5-2)44(33-37)67(62,63)64)53-51-40-29-26-36(50-46(56)35-23-20-19-21-24-35)32-43(40)66(60,61)38-28-30-41(55)39(34-38)47(57)58;/h19-21,23-24,26-34,55H,4-18,22,25H2,1-3H3,(H,50,56)(H,57,58)(H,62,63,64);/q;+1/p-1",C49H61N5O11S2.Na,,,,,,CQTIVIYWHIHFHD-UHFFFAOYSA-M,,,,,,,,,,,
100.092.644,301-955-9,94087-63-5,"Sodium 3-[[1,3-dioxo-3-[3-[(1-oxooctadecyl)amino]phenyl]propyl]amino]-4-methoxybenzenesulphonate",sodium 4-methoxy-3-({3-oxo-3-[3-(stearoylamino)phenyl]propanoyl}amino)benzenesulfonate,[Na+].CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(ccc2OC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(ccc2OC)S(=O)(=O)[O-],"InChI=1/C34H50N2O7S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33(38)35-28-20-18-19-27(24-28)31(37)26-34(39)36-30-25-29(44(40,41)42)22-23-32(30)43-2;/h18-20,22-25H,3-17,21,26H2,1-2H3,(H,35,38)(H,36,39)(H,40,41,42);/q;+1/p-1",C34H50N2O7S.Na,,,,,,ZJJOYZKVLDQRKD-UHFFFAOYSA-M,,,,,,,,,,,
100.092.645,301-956-4,94087-64-6,"Methyl 1-[1-[[5-[[4-(2,4-di-tert-butylphenoxy)butyryl]amino]-2-chlorophenyl]carbamoyl]-3,3-dimethyl-2-oxobutyl]-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylate","methyl 1-{1-[(2-chloro-5-{[4-(2,4-di-tert-butylphenoxy)butanoyl]amino}phenyl)carbamoyl]-3,3-dimethyl-2-oxobutyl}-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate",COC(=O)C1=CN(C(C(=O)Nc2cc(NC(=O)CCCOc3ccc(cc3C(C)(C)C)C(C)(C)C)ccc2Cl)C(=O)C(C)(C)C)C(=O)N1,COC(=O)C1=CN(C(C(=O)Nc2cc(NC(=O)CCCOc3ccc(cc3C(C)(C)C)C(C)(C)C)ccc2Cl)C(=O)C(C)(C)C)C(=O)N1,"InChI=1/C36H47ClN4O7/c1-34(2,3)21-13-16-27(23(18-21)35(4,5)6)48-17-11-12-28(42)38-22-14-15-24(37)25(19-22)39-31(44)29(30(43)36(7,8)9)41-20-26(32(45)47-10)40-33(41)46/h13-16,18-20,29H,11-12,17H2,1-10H3,(H,38,42)(H,39,44)(H,40,46)",C38H51ClN4O7,,,,,,WKBYPAHBIDBSQC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.778,298-803-6,93839-33-9,N-[2-[(2-aminoethyl)dodecylamino]ethyl]glycine,N-{2-[(2-aminoethyl)(dodecyl)amino]ethyl}glycine,CCCCCCCCCCCCN(CCN)CCNCC(=O)O,CCCCCCCCCCCCN(CCN)CCNCC(=O)O,"InChI=1/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-21(15-12-19)16-13-20-17-18(22)23/h20H,2-17,19H2,1H3,(H,22,23)",C18H39N3O2,,,,,,YIRFYEDJJRGBKY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.784,298-809-9,93839-39-5,"N'-(2-aminoethyl)-N,N-dioctylethylenediamine acetate","N'-(2-aminoethyl)-N,N-dioctylethane-1,2-diamine acetate",CCCCCCCCN(CCCCCCCC)CCNCCN.CC(=O)O,CCCCCCCCN(CCCCCCCC)CCNCCN.CC(=O)O,"InChI=1/C20H45N3.C2H4O2/c1-3-5-7-9-11-13-18-23(20-17-22-16-15-21)19-14-12-10-8-6-4-2;1-2(3)4/h22H,3-21H2,1-2H3;1H3,(H,3,4)",C20H45N3.xC2H4O2,,,,,,FERXTBXIPLQHDD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.786,298-812-5,93839-41-9,"N,N-dioctyl-N'-[2-(octylamino)ethyl]ethylenediamine acetate","N,N-dioctyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine acetate",CCCCCCCCNCCNCCN(CCCCCCCC)CCCCCCCC.CC(=O)O,CCCCCCCCNCCNCCN(CCCCCCCC)CCCCCCCC.CC(=O)O,"InChI=1/C28H61N3.C2H4O2/c1-4-7-10-13-16-19-22-29-23-24-30-25-28-31(26-20-17-14-11-8-5-2)27-21-18-15-12-9-6-3;1-2(3)4/h29-30H,4-28H2,1-3H3;1H3,(H,3,4)",C28H61N3.xC2H4O2,,,,,,BQOMAQHGHIBOFA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.787,298-813-0,93839-42-0,"N,N'-dioctyl-N-[2-(octylamino)ethyl]ethylenediamine acetate","N,N'-dioctyl-N-[2-(octylamino)ethyl]ethane-1,2-diamine acetate",CCCCCCCCNCCN(CCCCCCCC)CCNCCCCCCCC.CC(=O)O,CCCCCCCCNCCN(CCCCCCCC)CCNCCCCCCCC.CC(=O)O,"InChI=1/C28H61N3.C2H4O2/c1-4-7-10-13-16-19-22-29-24-27-31(26-21-18-15-12-9-6-3)28-25-30-23-20-17-14-11-8-5-2;1-2(3)4/h29-30H,4-28H2,1-3H3;1H3,(H,3,4)",C28H61N3.xC2H4O2,,,,,,RFFDHTBUJRKXJK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.688,300-902-7,93964-56-8,N-(4-methoxyphenyl)-N-octylformamide,N-(4-methoxyphenyl)-N-octylformamide,CCCCCCCCN(C=O)c1ccc(OC)cc1,CCCCCCCCN(C=O)c1ccc(OC)cc1,"InChI=1/C16H25NO2/c1-3-4-5-6-7-8-13-17(14-18)15-9-11-16(19-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3",C16H25NO2,,,,,,OSWAHUZAQGHENF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.816,286-728-1,85351-06-0,3-methylundecanonitrile,3-methylundecanenitrile,CCCCCCCCC(C)CC#N,CCCCCCCCC(C)CC#N,"InChI=1/C12H23N/c1-3-4-5-6-7-8-9-12(2)10-11-13/h12H,3-10H2,1-2H3",C12H23N,,,,,,YBGLYNKRMUZVLM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.834,286-748-0,85372-91-4,5-benzoyluridine,5-benzoyluridine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(C(=O)c3ccccc3)C(=O)NC2=O,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(C(=O)c3ccccc3)C(=O)NC2=O,"InChI=1/C16H16N2O7/c19-7-10-12(21)13(22)15(25-10)18-6-9(14(23)17-16(18)24)11(20)8-4-2-1-3-5-8/h1-6,10,12-13,15,19,21-22H,7H2,(H,17,23,24)",C16H16N2O7,,,,,,ANFJQBUYDIHRPP-BPGGGUHBSA-N,,,,,,,,,,,
100.089.788,298-814-6,93839-43-1,"N-(2-aminoethyl)-N,N',N'-trioctylethylenediamine","N-(2-aminoethyl)-N,N',N'-trioctylethane-1,2-diamine",CCCCCCCCN(CCN)CCN(CCCCCCCC)CCCCCCCC,CCCCCCCCN(CCN)CCN(CCCCCCCC)CCCCCCCC,"InChI=1/C28H61N3/c1-4-7-10-13-16-19-23-30(24-20-17-14-11-8-5-2)27-28-31(26-22-29)25-21-18-15-12-9-6-3/h4-29H2,1-3H3",C28H61N3,,,,,,QWHFTNGGASLTIP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.817,298-846-0,93839-74-8,"N2,N2-dimethyl-N6-(1-oxotetradecyl)-L-lysine","N~2~,N~2~-dimethyl-N~6~-tetradecanoyl-L-lysine",CCCCCCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,CCCCCCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,"InChI=1/C22H44N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-21(25)23-19-16-15-17-20(22(26)27)24(2)3/h20H,4-19H2,1-3H3,(H,23,25)(H,26,27)",C22H44N2O3,,,,,,BXEWSXCWIYPNGS-FQEVSTJZSA-N,,,,,,,,,,,
100.089.818,298-847-6,93839-75-9,"Sodium 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate",sodium abiet-8-en-18-oate,[Na+].CC(C)C1CCC2=C(CCC3C(C)(CCCC23C)C(=O)[O-])C1,[Na+].CC(C)C1CCC2=C(CCC3C(C)(CCCC23C)C(=O)[O-])C1,"InChI=1/C20H32O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h13-14,17H,5-12H2,1-4H3,(H,21,22);/q;+1/p-1",C20H32O2.Na,,,,,,YXPFDRALIICCQC-UHFFFAOYSA-M,,,,,,,,,,,
100.089.821,298-850-2,93839-78-2,"Potassium tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate",potassium abietan-18-oate,[K+].CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(=O)[O-])C1,[K+].CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(=O)[O-])C1,"InChI=1/C20H34O2.K/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h13-17H,5-12H2,1-4H3,(H,21,22);/q;+1/p-1",C20H34O2.K,,,,,,CPXFNUYPUJIEOY-UHFFFAOYSA-M,,,,,,,,,,,
100.091.694,300-909-5,93964-63-7,"Tetrasodium 5-[[4'-[[8-[[2,4-dihydroxy-3-[(2-methoxy-5-sulphonatophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate","tetrasodium 5-[(4'-{[8-({2,4-dihydroxy-3-[(2-methoxy-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}-3,3'-dimethoxybiphenyl-4-yl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S([O-])(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S([O-])(=O)=O)c5O)S([O-])(=O)=O)c(OC)c7,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S([O-])(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S([O-])(=O)=O)c5O)S([O-])(=O)=O)c(OC)c7,"InChI=1/C44H34N8O18S3.4Na/c1-68-35-13-7-25(71(59,60)61)19-31(35)49-51-40-34(54)12-10-30(42(40)55)48-50-32-20-26(72(62,63)64)14-23-17-38(73(65,66)67)41(43(56)39(23)32)52-47-29-9-5-22(16-37(29)70-3)21-4-8-28(36(15-21)69-2)46-45-24-6-11-33(53)27(18-24)44(57)58;;;;/h4-20,53-56H,1-3H3,(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4",C44H34N8O18S3.4Na,,,,,,RBXWTLZGACORKS-UHFFFAOYSA-J,,,,,,,,,,,
100.080.926,289-050-4,85959-56-4,"Tetrasodium 4,4'-bis[[2,5-dimethyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-({2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2cc(C)c(cc2C)N=Nc6ccc(/C=C/c5ccc(N=Nc3cc(C)c(cc3C)N=Nc4ccc(cc4)S([O-])(=O)=O)cc5S([O-])(=O)=O)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2cc(C)c(cc2C)N=Nc6ccc(/C=C/c5ccc(N=Nc3cc(C)c(cc3C)N=Nc4ccc(cc4)S([O-])(=O)=O)cc5S([O-])(=O)=O)c(c6)S([O-])(=O)=O,"InChI=1/C42H36N8O12S4.4Na/c1-25-21-39(27(3)19-37(25)47-43-31-11-15-35(16-12-31)63(51,52)53)49-45-33-9-7-29(41(23-33)65(57,58)59)5-6-30-8-10-34(24-42(30)66(60,61)62)46-50-40-22-26(2)38(20-28(40)4)48-44-32-13-17-36(18-14-32)64(54,55)56;;;;/h5-24H,1-4H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4",C42H36N8O12S4.4Na,,,,,,XUBBRWVWKGOFBE-IEBZFWCRSA-J,,,,,,,,,,,
100.080.927,289-052-5,85959-57-5,"4,4'-bis[[2,5-dimethyl-4-[(4-sulphophenyl)azo]phenyl]azo]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis[5-({2,5-dimethyl-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)benzenesulfonic acid]",OS(=O)(=O)c1ccc(cc1)N=Nc2cc(C)c(cc2C)N=Nc6ccc(/C=C/c5ccc(N=Nc3cc(C)c(cc3C)N=Nc4ccc(cc4)S(O)(=O)=O)cc5S(O)(=O)=O)c(c6)S(O)(=O)=O,OS(=O)(=O)c1ccc(cc1)N=Nc2cc(C)c(cc2C)N=Nc6ccc(/C=C/c5ccc(N=Nc3cc(C)c(cc3C)N=Nc4ccc(cc4)S(O)(=O)=O)cc5S(O)(=O)=O)c(c6)S(O)(=O)=O,"InChI=1/C42H36N8O12S4/c1-25-21-39(27(3)19-37(25)47-43-31-11-15-35(16-12-31)63(51,52)53)49-45-33-9-7-29(41(23-33)65(57,58)59)5-6-30-8-10-34(24-42(30)66(60,61)62)46-50-40-22-26(2)38(20-28(40)4)48-44-32-13-17-36(18-14-32)64(54,55)56/h5-24H,1-4H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)",C42H36N8O12S4,,,,,,SUDNYOWVYIZYQI-MHBSYKRXSA-N,,,,,,,,,,,
100.080.928,289-053-0,85959-58-6,"11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-octanoate","11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl octanoate",CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1/C29H42O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h12,14,16,21-23,26,31,34H,4-11,13,15,17-18H2,1-3H3",C29H42O6,,,,,,NDWSWWNCJPFKAB-KAQKJVHQSA-N,,,,,,,,,,,
100.080.936,289-061-4,85959-66-6,"Disodium 2,2'-thiobis[5-aminobenzenesulphonate]","disodium 2,2'-sulfanediylbis(5-aminobenzenesulfonate)",[Na+].[Na+].Nc1ccc(Sc2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(Sc2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C12H12N2O6S3.2Na/c13-7-1-3-9(11(5-7)22(15,16)17)21-10-4-2-8(14)6-12(10)23(18,19)20;;/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2",C12H12N2O6S3.2Na,,,,,,PVICHGFKYYNPPN-UHFFFAOYSA-L,,,,,,,,,,,
100.080.939,289-065-6,85959-70-2,"Bis[4-(3-amino-3-oxopropyl)-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)azo]-1-(phenylmethyl)-1H-1,2,4-triazolium] tetrachlorozincate(2-)","bis{4-(3-amino-3-oxopropyl)-1-benzyl-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)diazenyl]-4,5-dihydro-1H-1,2,4-triazol-1-ium} tetrachlorozincate(2-)",O=C(N)CCN5/C=N\\[NH+](Cc1ccccc1)C5N=Nc4c2ccccc2n(CC)c4c3ccccc3.Cl[Zn-2](Cl)(Cl)Cl.CCn5c1ccccc1c(N=NC3[NH+](Cc2ccccc2)\\N=C/N3CCC(N)=O)c5c4ccccc4,O=C(N)CCN5/C=N\[NH+](Cc1ccccc1)C5N=Nc4c2ccccc2n(CC)c4c3ccccc3.Cl[Zn-2](Cl)(Cl)Cl.CCn5c1ccccc1c(N=NC3[NH+](Cc2ccccc2)\N=C/N3CCC(N)=O)c5c4ccccc4,"InChI=1/2C28H29N7O.4ClH.Zn/c2*1-2-34-24-16-10-9-15-23(24)26(27(34)22-13-7-4-8-14-22)31-32-28-33(18-17-25(29)36)20-30-35(28)19-21-11-5-3-6-12-21;;;;;/h2*3-16,20,28H,2,17-19H2,1H3,(H2,29,36);4*1H;/q;;;;;;+2/p-2/r2C28H29N7O.Cl4Zn/c2*1-2-34-24-16-10-9-15-23(24)26(27(34)22-13-7-4-8-14-22)31-32-28-33(18-17-25(29)36)20-30-35(28)19-21-11-5-3-6-12-21;1-5(2,3)4/h2*3-16,20,28H,2,17-19H2,1H3,(H2,29,36);/q;;-2/p+2",C28H28N7O.1/2Cl4Zn,,,,,,DYGWFPGNMCOQMQ-UHFFFAOYSA-L,,,,,,,,,,,
100.079.227,287-180-6,85410-06-6,Aluminium (1-methylethyl)naphthalenesulphonate,aluminum tris(2-isopropylnaphthalene-1-sulfonate),[Al+3].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].CC(C)c3ccc4ccccc4c3S(=O)(=O)[O-].CC(C)c5ccc6ccccc6c5S(=O)(=O)[O-],[Al+3].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].CC(C)c3ccc4ccccc4c3S(=O)(=O)[O-].CC(C)c5ccc6ccccc6c5S(=O)(=O)[O-],"InChI=1/3C13H14O3S.Al/c3*1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h3*3-9H,1-2H3,(H,14,15,16);/q;;;+3/p-3",C13H14O3S.1/3Al,,,,,,WAQKQYWOJWXXCF-UHFFFAOYSA-K,,,,,,,,,,,
100.079.238,287-192-1,85414-22-8,Sodium 1-methyl-5-oxopyrrolidine-3-carboxylate,sodium 1-methyl-5-oxopyrrolidine-3-carboxylate,[Na+].CN1CC(CC1=O)C(=O)[O-],[Na+].CN1CC(CC1=O)C(=O)[O-],"InChI=1/C6H9NO3.Na/c1-7-3-4(6(9)10)2-5(7)8;/h4H,2-3H2,1H3,(H,9,10);/q;+1/p-1",C6H9NO3.Na,,,,,,MLQPRLORQXODET-UHFFFAOYSA-M,,,,,,,,,,,
100.079.244,287-198-4,85422-97-5,Bis[[2-(acryloyloxy)ethyl]dimethylammonium] sulphate,"bis[2-(acryloyloxy)-N,N-dimethylethanaminium] sulfate",C[NH+](C)CCOC(=O)C=C.C[NH+](C)CCOC(=O)C=C.[O-]S(=O)(=O)[O-],C[NH+](C)CCOC(=O)C=C.C[NH+](C)CCOC(=O)C=C.[O-]S(=O)(=O)[O-],"InChI=1/2C7H13NO2.H2O4S/c2*1-4-7(9)10-6-5-8(2)3;1-5(2,3)4/h2*4H,1,5-6H2,2-3H3;(H2,1,2,3,4)",C7H13NO2.1/2H2O4S,,,,,,RJOJHQGGFNGFEI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.758,288-865-2,85909-60-0,"(9S)-10,11-dihydro-9-hydroxy-6'-methoxycinchonanium hydrogen sulphate","6'-methoxy-10,11-dihydrocinchonan-1-ium-9-ol hydrogen sulfate",CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.[O-]S(=O)(=O)[O-],CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.[O-]S(=O)(=O)[O-],"InChI=1/C20H26N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;(H2,1,2,3,4)/p-1",C20H26N2O2.H2O4S,,,,,,UILYWSTXWSWANK-VJAUXQICSA-M,,,,,,,,,,,
100.080.950,289-077-1,85968-49-6,N-[3-hydroxy-4-[(2-nitrophenyl)azo]-1-oxo-2(1H)-isoquinolyl]benzamide,N-{3-hydroxy-4-[(2-nitrophenyl)diazenyl]-1-oxoisoquinolin-2(1H)-yl}benzamide,[O-][N+](=O)c4ccccc4N=N/C2=C(\\O)N(NC(=O)c1ccccc1)C(=O)c3ccccc23,[O-][N+](=O)c4ccccc4N=N/C2=C(\O)N(NC(=O)c1ccccc1)C(=O)c3ccccc23,"InChI=1/C22H15N5O5/c28-20(14-8-2-1-3-9-14)25-26-21(29)16-11-5-4-10-15(16)19(22(26)30)24-23-17-12-6-7-13-18(17)27(31)32/h1-13,30H,(H,25,28)",C22H15N5O5,,,,,,KJKHOROFNANLFA-UHFFFAOYSA-N,,,,,,,,,,,
100.081.289,289-449-3,88848-45-7,"2-(hydroxymethyl)-2-[[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxy]methyl]propane-1,3-diol","2-(hydroxymethyl)-2-({[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxy}methyl)propane-1,3-diol",OCC(CO)(CO)COCC1(CO)COCOC1,OCC(CO)(CO)COCC1(CO)COCOC1,"InChI=1/C11H22O7/c12-1-10(2-13,3-14)5-16-6-11(4-15)7-17-9-18-8-11/h12-15H,1-9H2",C11H22O7,,,,,,RFMRTKNDQKLJJS-UHFFFAOYSA-N,,,,,,,,,,,
100.081.306,289-468-7,89076-28-8,4-difluoromethoxy-4'-fluorobenzophenone,[4-(difluoromethoxy)phenyl](4-fluorophenyl)methanone,FC(F)Oc1ccc(cc1)C(=O)c2ccc(F)cc2,FC(F)Oc1ccc(cc1)C(=O)c2ccc(F)cc2,"InChI=1/C14H9F3O2/c15-11-5-1-9(2-6-11)13(18)10-3-7-12(8-4-10)19-14(16)17/h1-8,14H",C14H9F3O2,,,,,,FNQGQZGRDMENSW-UHFFFAOYSA-N,,,,,,,,,,,
100.081.307,289-469-2,89116-22-3,a-methyl-4-methylenecyclohexaneacetaldehyde,2-(4-methylenecyclohexyl)propanal,CC(C=O)C1CCC(=C)CC1,CC(C=O)C1CCC(=C)CC1,"InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h7,9-10H,1,3-6H2,2H3",C10H16O,,,,,,JNRATHVXQNNAQX-UHFFFAOYSA-N,,,,,,,,,,,
100.081.309,289-471-3,89131-33-9,"N,N'-(4-hydroxy-1,3-phenylene)bis[4-(dodecyloxy)benzenesulphonamide]","N,N'-(4-hydroxy-1,3-phenylene)bis[4-(dodecyloxy)benzenesulfonamide]",CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Nc2ccc(O)c(NS(=O)(=O)c3ccc(OCCCCCCCCCCCC)cc3)c2,CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Nc2ccc(O)c(NS(=O)(=O)c3ccc(OCCCCCCCCCCCC)cc3)c2,"InChI=1/C42H64N2O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-50-37-24-28-39(29-25-37)52(46,47)43-36-23-32-42(45)41(35-36)44-53(48,49)40-30-26-38(27-31-40)51-34-22-20-18-16-14-12-10-8-6-4-2/h23-32,35,43-45H,3-22,33-34H2,1-2H3",C42H64N2O7S2,,,,,,CSQXGPMRNVVHDI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.310,289-472-9,89136-90-3,6-methylheptyl 3-mercaptopropionate,6-methylheptyl 3-sulfanylpropanoate,CC(C)CCCCCOC(=O)CCS,CC(C)CCCCCOC(=O)CCS,"InChI=1/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3",C11H22O2S,,,,,,ZHUWXKIPGGZNJW-UHFFFAOYSA-N,,,,,,,,,,,
100.081.313,289-476-0,89149-70-2,5-(hydroxymethyl)furan-2-carbonitrile,5-(hydroxymethyl)-2-furonitrile,OCc1oc(cc1)C#N,OCc1oc(cc1)C#N,"InChI=1/C6H5NO2/c7-3-5-1-2-6(4-8)9-5/h1-2,8H,4H2",C6H5NO2,,,,,,XAOLIZQQNMUXQB-UHFFFAOYSA-N,,,,,,,,,,,
100.081.315,289-478-1,89181-28-2,Ethyl 2-chloro-3-hydroxypropionate,ethyl 2-chloro-3-hydroxypropanoate,CCOC(=O)C(Cl)CO,CCOC(=O)C(Cl)CO,"InChI=1/C5H9ClO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3H2,1H3",C5H9ClO3,,,,,,DKHCAMTWKGNZQO-UHFFFAOYSA-N,,,,,,,,,,,
100.081.319,289-482-3,89244-47-3,"2,3-dimethyl-5-nitropyridine","2,3-dimethyl-5-nitropyridine",Cc1cc(cnc1C)[N+](=O)[O-],Cc1cc(cnc1C)[N+](=O)[O-],"InChI=1/C7H8N2O2/c1-5-3-7(9(10)11)4-8-6(5)2/h3-4H,1-2H3",C7H8N2O2,,,,,,COXFFERIUGLCBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.320,289-483-9,89278-25-1,4-nitronaphthalene-1-acetic acid,(4-nitro-1-naphthyl)acetic acid,OC(=O)Cc1ccc(c2ccccc12)[N+](=O)[O-],OC(=O)Cc1ccc(c2ccccc12)[N+](=O)[O-],"InChI=1/C12H9NO4/c14-12(15)7-8-5-6-11(13(16)17)10-4-2-1-3-9(8)10/h1-6H,7H2,(H,14,15)",C12H9NO4,,,,,,ZQKCRZQJMZQAOY-UHFFFAOYSA-N,,,,,,,,,,,
100.081.322,289-486-5,89307-23-3,"N,N''-hexane-1,6-diylbis[N'-hexylurea]","N',N'''-hexane-1,6-diylbis(1-hexylurea)",CCCCCCNC(=O)NCCCCCCNC(=O)NCCCCCC,CCCCCCNC(=O)NCCCCCCNC(=O)NCCCCCC,"InChI=1/C20H42N4O2/c1-3-5-7-11-15-21-19(25)23-17-13-9-10-14-18-24-20(26)22-16-12-8-6-4-2/h3-18H2,1-2H3,(H2,21,23,25)(H2,22,24,26)",C20H42N4O2,,,,,,RIQWMBYGUHQQOS-UHFFFAOYSA-N,,,,,,,,,,,
100.081.328,289-492-8,89344-85-4,5-butyl-3-chlorodihydrofuran-2(3H)-one,5-butyl-3-chlorodihydrofuran-2(3H)-one,CCCCC1CC(Cl)C(=O)O1,CCCCC1CC(Cl)C(=O)O1,"InChI=1/C8H13ClO2/c1-2-3-4-6-5-7(9)8(10)11-6/h6-7H,2-5H2,1H3",C8H13ClO2,,,,,,JRJNBIWGQOPZJU-UHFFFAOYSA-N,,,,,,,,,,,
100.081.329,289-493-3,89347-09-1,"2,5-bis(tert-nonyldithio)-1,3,4-thiadiazole","2,5-bis[(2,2-dimethylheptyl)disulfanyl]-1,3,4-thiadiazole",CCCCCC(C)(C)CSSc1nnc(SSCC(C)(C)CCCCC)s1,CCCCCC(C)(C)CSSc1nnc(SSCC(C)(C)CCCCC)s1,"InChI=1/C20H38N2S5/c1-7-9-11-13-19(3,4)15-23-26-17-21-22-18(25-17)27-24-16-20(5,6)14-12-10-8-2/h7-16H2,1-6H3",C20H38N2S5,,,,,,RHKLIWUUEYGKQK-UHFFFAOYSA-N,,,,,,,,,,,
100.081.341,289-507-8,89560-81-6,"Oleic acid, compound with tributylamine (1:1)","octadec-9-enoic acid - N,N-dibutylbutan-1-amine (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)O.CCCCN(CCCC)CCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCN(CCCC)CCCC,"InChI=1/C18H34O2.C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7-10-13(11-8-5-2)12-9-6-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-12H2,1-3H3",C18H34O2.C12H27N,,,,,,PHFYGNBGKAPJBV-KVVVOXFISA-N,,,,,,,,,,,
100.081.350,289-517-2,89705-67-9,Diisopropyl undecanedioate,diisopropyl undecanedioate,CC(C)OC(=O)CCCCCCCCCC(=O)OC(C)C,CC(C)OC(=O)CCCCCCCCCC(=O)OC(C)C,"InChI=1/C17H32O4/c1-14(2)20-16(18)12-10-8-6-5-7-9-11-13-17(19)21-15(3)4/h14-15H,5-13H2,1-4H3",C17H32O4,,,,,,GCRTUVFYDATJEY-UHFFFAOYSA-N,,,,,,,,,,,
100.081.351,289-518-8,89713-95-1,Bis[(carboxymethyl)trimethylammonium] adipate,"bis(carboxy-N,N,N-trimethylmethanaminium) adipate",C[N+](C)(C)CC(=O)O.C[N+](C)(C)CC(=O)O.[O-]C(=O)CCCCC(=O)[O-],C[N+](C)(C)CC(=O)O.C[N+](C)(C)CC(=O)O.[O-]C(=O)CCCCC(=O)[O-],"InChI=1/C6H10O4.2C5H11NO2/c7-5(8)3-1-2-4-6(9)10;2*1-6(2,3)4-5(7)8/h1-4H2,(H,7,8)(H,9,10);2*4H2,1-3H3",C6H8O4.2C5H12NO2,,,,,,YHWGCHQULBISHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.646,301-958-5,94087-65-7,N-amidinomyristamide,N-carbamimidoyltetradecanamide,CCCCCCCCCCCCCC(=O)NC(=N)N,CCCCCCCCCCCCCC(=O)NC(=N)N,"InChI=1/C15H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(19)18-15(16)17/h2-13H2,1H3,(H4,16,17,18,19)",C15H31N3O,,,,,,MQQHKNPPDJSRCT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.648,301-960-6,94087-67-9,"2-amino-1-hexyl-1,5-dihydro-4H-imidazol-4-one","2-amino-1-hexyl-1,5-dihydro-4H-imidazol-4-one",CCCCCCN1CC(=O)N=C1N,CCCCCCN1CC(=O)N=C1N,"InChI=1/C9H17N3O/c1-2-3-4-5-6-12-7-8(13)11-9(12)10/h2-7H2,1H3,(H2,10,11,13)",C9H17N3O,,,,,,WNMOZNYQBYZEAV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.654,301-966-9,94087-73-7,"5-octylpyrimidine-2,4,6-triamine","5-octylpyrimidine-2,4,6-triamine",CCCCCCCCc1c(N)nc(N)nc1N,CCCCCCCCc1c(N)nc(N)nc1N,"InChI=1/C12H23N5/c1-2-3-4-5-6-7-8-9-10(13)16-12(15)17-11(9)14/h2-8H2,1H3,(H6,13,14,15,16,17)",C12H23N5,,,,,,HZGBHPCFGGQKLH-UHFFFAOYSA-N,,,,,,,,,,,
100.087.780,296-602-8,92814-53-4,"1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]piperidine","6'-[ethyl(4-methylphenyl)amino]-2'-{[4-(piperidin-1-ylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(Nc5ccc(cc5)S(=O)(=O)N6CCCCC6)cc4C37OC(=O)c8ccccc78)c2,CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(Nc5ccc(cc5)S(=O)(=O)N6CCCCC6)cc4C37OC(=O)c8ccccc78)c2,"InChI=1/C40H37N3O5S/c1-3-43(30-16-11-27(2)12-17-30)31-18-21-35-38(26-31)47-37-22-15-29(25-36(37)40(35)34-10-6-5-9-33(34)39(44)48-40)41-28-13-19-32(20-14-28)49(45,46)42-23-7-4-8-24-42/h5-6,9-22,25-26,41H,3-4,7-8,23-24H2,1-2H3",C40H37N3O5S,,,,,,DMIQZCQYNXARKX-UHFFFAOYSA-N,,,,,,,,,,,
100.087.785,296-608-0,92859-88-6,"1-(1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethyl-2-naphthyl)ethan-1-one","1-(2,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone",CC(=O)C1(C)CCC2=C(C1)C(C)(C)CCC2,CC(=O)C1(C)CCC2=C(C1)C(C)(C)CCC2,"InChI=1/C15H24O/c1-11(16)15(4)9-7-12-6-5-8-14(2,3)13(12)10-15/h5-10H2,1-4H3",C15H24O,,,,,,FYVIXTXWYBVEME-UHFFFAOYSA-N,,,,,,,,,,,
100.090.905,300-042-2,93919-58-5,"Methyl (3ß,19a,20a)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate, compound with ethanol (1:1)","methyl 10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate - ethanol (1:1)",CCO.COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@H]3C[C@H]12,CCO.COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@H]3C[C@H]12,"InChI=1/C23H28N2O5.C2H6O/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4;1-2-3/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3;3H,2H2,1H3",C23H28N2O5.C2H6O,,,,,,VLQNHCDNTNEAMW-QMFIGXPHSA-N,,,,,,,,,,,
100.090.909,300-046-4,93919-62-1,"Phosphoric acid, methyl ester, compd. with 2,2',2''-nitrilotris[ethanol]","methyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",COP(=O)(O)O.OCCN(CCO)CCO,COP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C6H15NO3.CH5O4P/c8-4-1-7(2-5-9)3-6-10;1-5-6(2,3)4/h8-10H,1-6H2;1H3,(H2,2,3,4)",-,,,,,,LPNGYNOOFCLYLP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.913,300-051-1,93919-68-7,"Nonapotassium hydrogen [[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",-,[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].OP(=O)(O)CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].OP(=O)(O)CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.9K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;/q;9*+1/p-8",C9H28N3O15P5.9K,,,,,,NPAIWIGEQWKJSF-UHFFFAOYSA-F,,,,,,,,,,,
100.090.914,300-052-7,93919-69-8,"Decapotassium [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",decapotassium [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.10K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;;/q;10*+1/p-10",C9H28N3O15P5.10K,,,,,,BKBVVUGZJFNFPN-UHFFFAOYSA-D,,,,,,,,,,,
100.090.919,300-057-4,93919-74-5,"Nonaammonium hydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",nonaammonium hydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.9H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);9*1H3/p-1",C9H28N3O15P5.9H3N,,,,,,NSLZQFATRMGUCE-UHFFFAOYSA-M,,,,,,,,,,,
100.091.697,300-912-1,93964-66-0,"Disodium 3,3'-[(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)diimino]bis[6-anilinobenzenesulphonate]","disodium 3,3'-[(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)diimino]bis(6-anilinobenzenesulfonate)",[Na+].[Na+].[O-]S(=O)(=O)c1cc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccc(Nc4ccccc4)c(c3)S(=O)(=O)[O-])ccc1Nc5ccccc5,[Na+].[Na+].[O-]S(=O)(=O)c1cc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccc(Nc4ccccc4)c(c3)S(=O)(=O)[O-])ccc1Nc5ccccc5,"InChI=1/C30H22Cl2N4O8S2.2Na/c31-25-27(35-19-11-13-21(23(15-19)45(39,40)41)33-17-7-3-1-4-8-17)29(37)26(32)28(30(25)38)36-20-12-14-22(24(16-20)46(42,43)44)34-18-9-5-2-6-10-18;;/h1-16,33-36H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C30H22Cl2N4O8S2.2Na,,,,,,YTFYEBPKWQPHLF-UHFFFAOYSA-L,,,,,,,,,,,
100.091.701,300-916-3,93964-70-6,4-cycloocten-1-yl isovalerate,cyclooct-4-en-1-yl 3-methylbutanoate,CC(C)CC(=O)OC1CCCC=CCC1,CC(C)CC(=O)OC1CCCC=CCC1,"InChI=1/C13H22O2/c1-11(2)10-13(14)15-12-8-6-4-3-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3",C13H22O2,,,,,,NOCIMGBKIKPXQV-ARJAWSKDSA-N,,,,,,,,,,,
100.091.708,300-924-7,93964-77-3,L-arginine L-malate,L-arginine - 2-hydroxysuccinic acid (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.OC(CC(=O)O)C(=O)O,N[C@@H](CCCNC(=N)N)C(=O)O.OC(CC(=O)O)C(=O)O,"InChI=1/C6H14N4O2.C4H6O5/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2,5H,1H2,(H,6,7)(H,8,9)",C6H14N4O2.C4H6O5,,,,,,RUFJTBOKWJYXPM-WCCKRBBISA-N,,,,,,,,,,,
100.091.711,300-927-3,93964-80-8,Octahydropentalenyl propionate,octahydropentalen-1-yl propionate,CCC(=O)OC1CCC2CCCC12,CCC(=O)OC1CCC2CCCC12,"InChI=1/C11H18O2/c1-2-11(12)13-10-7-6-8-4-3-5-9(8)10/h8-10H,2-7H2,1H3",C11H18O2,,,,,,BTWFKGTZSZVEEX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.714,300-931-5,93964-83-1,Octahydropentalenyl 3-methylbutyrate,octahydropentalen-1-yl 3-methylbutanoate,CC(C)CC(=O)OC1CCC2CCCC12,CC(C)CC(=O)OC1CCC2CCCC12,"InChI=1/C13H22O2/c1-9(2)8-13(14)15-12-7-6-10-4-3-5-11(10)12/h9-12H,3-8H2,1-2H3",C13H22O2,,,,,,NRSRDHUBEUUTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.720,300-937-8,93964-89-7,N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[(4-nitrophenyl)azo]aniline,N-[2-(dodecyloxy)ethyl]-N-ethyl-4-[(4-nitrophenyl)diazenyl]aniline,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCOCCCCCCCCCCCC)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CCOCCCCCCCCCCCC)cc2,"InChI=1/C28H42N4O3/c1-3-5-6-7-8-9-10-11-12-13-23-35-24-22-31(4-2)27-18-14-25(15-19-27)29-30-26-16-20-28(21-17-26)32(33)34/h14-21H,3-13,22-24H2,1-2H3",C28H42N4O3,,,,,,HPYDMCBDLHYDQV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.722,300-939-9,93964-91-1,"2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one, sodium salt",-,[Na+].[O-][N+](=O)c3cc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(O)cc3,[Na+].[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)cc3,"InChI=1/C16H13N5O4.Na/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h2-9,15,22H,1H3;/q;+1",C16H13N5O4.Na,,,,,,YFCMHYSUOAGZRL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.847,286-762-7,85391-10-2,Potassium hexyl 2-hydroxyethyl phosphate,potassium hexyl 2-hydroxyethyl phosphate,[K+].OCCOP([O-])(=O)OCCCCCC,[K+].OCCOP([O-])(=O)OCCCCCC,"InChI=1/C8H19O5P.K/c1-2-3-4-5-7-12-14(10,11)13-8-6-9;/h9H,2-8H2,1H3,(H,10,11);/q;+1/p-1",C8H19O5P.K,,,,,,QKSZALLAGAZNMF-UHFFFAOYSA-M,,,,,,,,,,,
100.078.849,286-764-8,85391-12-4,"Phosphoric acid, butyl ester, compd. with (Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanamine","butyl dihydrogen phosphate - 2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanamine (1:1)",CCCCCCCC\\C=C/CCCCCCCC1=NCCN1CCN.CCCCOP(=O)(O)O,CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCN.CCCCOP(=O)(O)O,"InChI=1/C22H43N3.C4H11O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;1-2-3-4-8-9(5,6)7/h9-10H,2-8,11-21,23H2,1H3;2-4H2,1H3,(H2,5,6,7)",-,,,,,,BKYWJAIRSZPPFG-KVVVOXFISA-N,,,,,,,,,,,
100.078.850,286-765-3,85391-13-5,5-isopropyl-2-phenylpyridine,5-isopropyl-2-phenylpyridine,CC(C)c1ccc(nc1)c2ccccc2,CC(C)c1ccc(nc1)c2ccccc2,"InChI=1/C14H15N/c1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12/h3-11H,1-2H3",C14H15N,,,,,,ZHJXMVDNGJWXGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.851,286-766-9,85391-14-6,"1,3-dioxolane-2-propan-1-ol","3-(1,3-dioxolan-2-yl)propan-1-ol",OCCCC1OCCO1,OCCCC1OCCO1,"InChI=1/C6H12O3/c7-3-1-2-6-8-4-5-9-6/h6-7H,1-5H2",C6H12O3,,,,,,UKTATNSTZBXLDE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.855,286-771-6,85391-18-0,Calcium bis[(R)-3-phenyllactate],calcium bis(2-hydroxy-3-phenylpropanoate),[Ca+2].O[C@H](Cc1ccccc1)C(=O)[O-].O[C@H](Cc2ccccc2)C(=O)[O-],[Ca+2].O[C@H](Cc1ccccc1)C(=O)[O-].O[C@H](Cc2ccccc2)C(=O)[O-],"InChI=1/2C9H10O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5,8,10H,6H2,(H,11,12);/q;;+2/p-2",C9H10O3.1/2Ca,,,,,,OLPHGSKFJSNPOA-GGTCEIRZSA-L,,,,,,,,,,,
100.078.857,286-773-7,85391-20-4,"2-allyldecahydro-7-methyl-1,4-methanonaphthalen-6-ol","2-allyl-7-methyldecahydro-1,4-methanonaphthalen-6-ol",CC1CC2C3CC(CC3CC=C)C2CC1O,CC1CC2C3CC(CC3CC=C)C2CC1O,"InChI=1/C15H24O/c1-3-4-10-6-11-7-12(10)14-5-9(2)15(16)8-13(11)14/h3,9-16H,1,4-8H2,2H3",C15H24O,,,,,,KMDUBPCNOVJKNG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.858,286-774-2,85391-21-5,"Octahydro-1,5-methano-2H-cyclopent[d]oxepin-2-one","octahydro-2H-1,5-methanocyclopenta[d]oxepin-2-one",O=C1OCC2CC1C3CCCC23,O=C1OCC2CC1C3CCCC23,"InChI=1/C10H14O2/c11-10-9-4-6(5-12-10)7-2-1-3-8(7)9/h6-9H,1-5H2",C10H14O2,,,,,,JUANJZAFSKJFAL-UHFFFAOYSA-N,,,,,,,,,,,
100.080.952,289-079-2,85977-48-6,8-[(4-chlorophenyl)azo]-5-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]azo]naphthalene-2-sulphonic acid,8-[(4-chlorophenyl)diazenyl]-5-({4-[ethyl(3-sulfobenzyl)amino]phenyl}diazenyl)naphthalene-2-sulfonic acid,Clc5ccc(N=Nc4ccc(N=Nc1ccc(cc1)N(Cc2cccc(c2)S(O)(=O)=O)CC)c3ccc(cc34)S(O)(=O)=O)cc5,Clc5ccc(N=Nc4ccc(N=Nc1ccc(cc1)N(Cc2cccc(c2)S(O)(=O)=O)CC)c3ccc(cc34)S(O)(=O)=O)cc5,"InChI=1/C31H26ClN5O6S2/c1-2-37(20-21-4-3-5-26(18-21)44(38,39)40)25-12-10-24(11-13-25)34-35-30-16-17-31(36-33-23-8-6-22(32)7-9-23)29-19-27(45(41,42)43)14-15-28(29)30/h3-19H,2,20H2,1H3,(H,38,39,40)(H,41,42,43)",C31H26ClN5O6S2,,,,,,QHIFZMIPUOEHMK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.976,289-105-2,86004-23-1,"Bis[2-[2-(nonyloxy)ethoxy]ethyl] hydrogen phosphate, compound with dodecane-1,12-diamine (2:1)","bis{2-[2-(nonyloxy)ethoxy]ethyl} hydrogen phosphate - dodecane-1,12-diamine (2:1)",CCCCCCCCCOCCOCCOP(=O)(O)OCCOCCOCCCCCCCCC.CCCCCCCCCOCCOCCOP(=O)(O)OCCOCCOCCCCCCCCC.NCCCCCCCCCCCCN,CCCCCCCCCOCCOCCOP(=O)(O)OCCOCCOCCCCCCCCC.CCCCCCCCCOCCOCCOP(=O)(O)OCCOCCOCCCCCCCCC.NCCCCCCCCCCCCN,"InChI=1/2C26H55O8P.C12H28N2/c2*1-3-5-7-9-11-13-15-17-29-19-21-31-23-25-33-35(27,28)34-26-24-32-22-20-30-18-16-14-12-10-8-6-4-2;13-11-9-7-5-3-1-2-4-6-8-10-12-14/h2*3-26H2,1-2H3,(H,27,28);1-14H2",C26H55O8P.1/2C12H28N2,,,,,,MRMCKXOEWGVJSP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.767,288-875-7,85938-41-6,Bis(myristoyloxy)dioctylstannane,dioctyl[bis(tetradecanoyloxy)]stannane,CCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCC,"InChI=1/2C14H28O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-3-5-7-8-6-4-2;/h2*2-13H2,1H3,(H,15,16);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC44H88O4Sn/c1-5-9-13-17-21-23-25-27-29-31-35-39-43(45)47-49(41-37-33-19-15-11-7-3,42-38-34-20-16-12-8-4)48-44(46)40-36-32-30-28-26-24-22-18-14-10-6-2/h5-42H2,1-4H3",C44H88O4Sn,,,,,,BLHUPIVWFSPGQO-UHFFFAOYSA-L,,,,,,,,,,,
100.080.769,288-877-8,85938-43-8,Bis(nonanoyloxy)dioctylstannane,bis(nonanoyloxy)(dioctyl)stannane,CCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCC,CCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCC,"InChI=1/2C9H18O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9(10)11;2*1-3-5-7-8-6-4-2;/h2*2-8H2,1H3,(H,10,11);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC34H68O4Sn/c1-5-9-13-17-21-25-29-33(35)37-39(31-27-23-19-15-11-7-3,32-28-24-20-16-12-8-4)38-34(36)30-26-22-18-14-10-6-2/h5-32H2,1-4H3",C34H68O4Sn,,,,,,CNOYGLBMMNHEMH-UHFFFAOYSA-L,,,,,,,,,,,
100.080.776,288-885-1,85938-50-7,"2-ethylhexyl [(2-butyl-4,7-dihydro-4,7-dioxo-1,3,2-dioxastannepin-2-yl)thio]acetate","2-ethylhexyl [(2-butyl-4,7-dioxo-4,7-dihydro-1,3,2-dioxastannepin-2-yl)sulfanyl]acetate",CCCCC(CC)COC(=O)CS[Sn]1(CCCC)OC(=O)C=CC(=O)O1,CCCCC(CC)COC(=O)CS[Sn]1(CCCC)OC(=O)C=CC(=O)O1,"InChI=1/C10H20O2S.C4H4O4.C4H9.Sn/c1-3-5-6-9(4-2)7-12-10(11)8-13;5-3(6)1-2-4(7)8;1-3-4-2;/h9,13H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);1,3-4H2,2H3;/q;;;+3/p-3/rC18H30O6SSn/c1-4-7-9-15(6-3)13-22-18(21)14-25-26(12-8-5-2)23-16(19)10-11-17(20)24-26/h10-11,15H,4-9,12-14H2,1-3H3",C18H30O6SSn,,,,,,JLWUPTVRGOLUHE-IUJXYRIYSA-K,,,,,,,,,,,
100.080.781,288-890-9,85938-55-2,N-vinylstearamide,N-vinyloctadecanamide,CCCCCCCCCCCCCCCCCC(=O)NC=C,CCCCCCCCCCCCCCCCCC(=O)NC=C,"InChI=1/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h4H,2-3,5-19H2,1H3,(H,21,22)",C20H39NO,,,,,,DPDUMCDONQYFCT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.782,288-891-4,85938-56-3,"N-(3-aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide","N-(3-aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide",NCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,NCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H9F15N2O/c12-5(13,4(29)28-3-1-2-27)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1-3,27H2,(H,28,29)",C11H9F15N2O,,,,,,YIQVOMZDSOSAQY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.999,289-130-9,86014-82-6,Menthyl propionate,2-isopropyl-5-methylcyclohexyl propionate,O=C(OC1CC(C)CCC1C(C)C)CC,O=C(OC1CC(C)CCC1C(C)C)CC,"InChI=1/C13H24O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3",C13H24O2,,,,,,PELLUIPPBKHUAB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.824,288-938-9,85940-52-9,Ethylhexadecyldimethylammonium 2-cyclohexylphenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium 2-cyclohexylphenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1C2CCCCC2,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1C2CCCCC2,"InChI=1/C20H44N.C12H16O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5-20H2,1-4H3;4-5,8-10,13H,1-3,6-7H2/q+1;/p-1",C20H44N.C12H15O,,,,,,CKVOORWQQRNRIX-UHFFFAOYSA-M,,,,,,,,,,,
100.080.828,288-943-6,85940-56-3,Ethylhexadecyldimethylammonium 2-benzylphenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium 2-benzylphenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1Cc2ccccc2,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1Cc2ccccc2,"InChI=1/C20H44N.C13H12O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h5-20H2,1-4H3;1-9,14H,10H2/q+1;/p-1",C20H44N.C13H11O,,,,,,WYBUQAHPDPUUSA-UHFFFAOYSA-M,,,,,,,,,,,
100.080.840,288-956-7,85940-69-8,"1-chloro-3-[2-chloro-1-[[2-chloro-1-[(tridecyloxy)methyl]ethoxy]methyl]ethoxy]propan-2-ol, compound with trimethylamine","1-chloro-3-[2-chloro-1-({2-chloro-1-[(tridecyloxy)methyl]ethoxy}methyl)ethoxy]propan-2-ol - N,N-dimethylmethanamine (1:1)",CCCCCCCCCCCCCOCC(CCl)OCC(CCl)OCC(O)CCl.CN(C)C,CCCCCCCCCCCCCOCC(CCl)OCC(CCl)OCC(O)CCl.CN(C)C,"InChI=1/C22H43Cl3O4.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-27-18-21(15-24)29-19-22(16-25)28-17-20(26)14-23;1-4(2)3/h20-22,26H,2-19H2,1H3;1-3H3",C22H43Cl3O4.xC3H9N,,,,,,QYYHNXXATOSJNY-UHFFFAOYSA-N,,,,,,,,,,,
100.081.352,289-519-3,89756-60-5,2-aminoethanesulphonamide monohydrochloride,2-aminoethanesulfonamide hydrochloride,Cl.NCCS(=O)(=O)N,Cl.NCCS(=O)(=O)N,"InChI=1/C2H8N2O2S.ClH/c3-1-2-7(4,5)6;/h1-3H2,(H2,4,5,6);1H",C2H8N2O2S.ClH,,,,,,DGUVEYAZTOUCEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.358,289-526-1,89835-07-4,Sodium 4-[(4-aminophenyl)azo]benzoate,sodium 4-[(4-aminophenyl)diazenyl]benzoate,[Na+].[O-]C(=O)c2ccc(N=Nc1ccc(N)cc1)cc2,[Na+].[O-]C(=O)c2ccc(N=Nc1ccc(N)cc1)cc2,"InChI=1/C13H11N3O2.Na/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17)18;/h1-8H,14H2,(H,17,18);/q;+1/p-1",C13H11N3O2.Na,,,,,,JZNZMGCDZWJGLX-UHFFFAOYSA-M,,,,,,,,,,,
100.081.360,289-528-2,89895-06-7,4-acetylpiperidinium chloride,4-acetylpiperidinium chloride,[Cl-].CC(=O)C1CC[NH2+]CC1,[Cl-].CC(=O)C1CC[NH2+]CC1,"InChI=1/C7H13NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H",C7H13NO.ClH,,,,,,BWWUETLSKAKGGM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.583,287-572-7,85536-85-2,"3-amino-2-(3,4,5-trimethoxybenzyl)acrylonitrile","3-amino-2-(3,4,5-trimethoxybenzyl)acrylonitrile",COc1cc(C\\C(=C/N)\\C#N)cc(OC)c1OC,COc1cc(C\C(=C/N)\C#N)cc(OC)c1OC,"InChI=1/C13H16N2O3/c1-16-11-5-9(4-10(7-14)8-15)6-12(17-2)13(11)18-3/h5-7H,4,14H2,1-3H3",C13H16N2O3,,,,,,INRQJEQHKHUUSB-JXMROGBWSA-N,,,,,,,,,,,
100.079.584,287-573-2,85536-86-3,5-bromo-a-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol,1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol,CCc1cc(Br)cc2cc(oc12)C(O)CNC(C)(C)C,CCc1cc(Br)cc2cc(oc12)C(O)CNC(C)(C)C,"InChI=1/C16H22BrNO2/c1-5-10-6-12(17)7-11-8-14(20-15(10)11)13(19)9-18-16(2,3)4/h6-8,13,18-19H,5,9H2,1-4H3",C16H22BrNO2,,,,,,MXKMWLFIQAWNMD-UHFFFAOYSA-N,,,,,,,,,,,
100.079.604,287-595-2,85554-63-8,Ethyl 4-methylnon-3-enoate,ethyl 4-methylnon-3-enoate,CCOC(=O)CC=C(C)CCCCC,CCOC(=O)CC=C(C)CCCCC,"InChI=1/C12H22O2/c1-4-6-7-8-11(3)9-10-12(13)14-5-2/h9H,4-8,10H2,1-3H3",C12H22O2,,,,,,JVXWGOFHIHVYPP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.610,287-601-3,85554-69-4,(Z)-3-hexenyl decanoate,hex-3-en-1-yl decanoate,CCCCCCCCCC(=O)OCC\\C=C/CC,CCCCCCCCCC(=O)OCC\C=C/CC,"InChI=1/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8H,3-5,7,9-15H2,1-2H3",C16H30O2,,,,,,APSRJAGZYONPLL-VURMDHGXSA-N,,,,,,,,,,,
100.079.613,287-605-5,85554-72-9,(E)-2-hexenyl octanoate,hex-2-en-1-yl octanoate,CCCCCCCC(=O)OC\\C=C\\CCC,CCCCCCCC(=O)OC\C=C\CCC,"InChI=1/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,11H,3-7,9-10,12-13H2,1-2H3",C14H26O2,,,,,,IRUGSDVUJNNIMW-DHZHZOJOSA-N,,,,,,,,,,,
100.081.367,289-536-6,89923-42-2,"Tetrasodium 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate","tetrasodium 2-({4-chloro-6-[(3-{[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-5-sulfonatobenzoate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(c5)C([O-])=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(c5)C([O-])=O,"InChI=1/C26H18Cl3N9O12S3.4Na/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41;;;;/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;;/q;4*+1/p-4",C26H18Cl3N9O12S3.4Na,,,,,,PBBABYGTFMOYLX-UHFFFAOYSA-J,,,,,,,,,,,
100.081.371,289-540-8,89923-47-7,"N,N'-bis[5-(benzoylamino)anthraquinon-1-yl]thiophene-2,5-dicarboxamide","N,N'-bis[5-(benzoylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]thiophene-2,5-dicarboxamide",O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccc(s4)C(=O)Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)cccc3C(=O)c12)c9ccccc9,O=C(Nc1cccc2C(=O)c3c(NC(=O)c4ccc(s4)C(=O)Nc5cccc6C(=O)c7c(NC(=O)c8ccccc8)cccc7C(=O)c56)cccc3C(=O)c12)c9ccccc9,"InChI=1/C48H28N4O8S/c53-41-29-17-9-21-33(39(29)43(55)27-15-7-19-31(37(27)41)49-45(57)25-11-3-1-4-12-25)51-47(59)35-23-24-36(61-35)48(60)52-34-22-10-18-30-40(34)44(56)28-16-8-20-32(38(28)42(30)54)50-46(58)26-13-5-2-6-14-26/h1-24H,(H,49,57)(H,50,58)(H,51,59)(H,52,60)",C48H28N4O8S,,,,,,RNDNNQUALPYABR-UHFFFAOYSA-N,,,,,,,,,,,
100.081.374,289-543-4,89923-52-4,"1,3-dimethyl-2-[[4-(methylamino)phenyl]azo]-1H-imidazolium chloride","1,3-dimethyl-2-{[4-(methylamino)phenyl]diazenyl}-2,3-dihydro-1H-imidazol-1-ium chloride",[Cl-].CN2/C=C\\[NH+](C)C2N=Nc1ccc(NC)cc1,[Cl-].CN2/C=C\[NH+](C)C2N=Nc1ccc(NC)cc1,"InChI=1/C12H17N5.ClH/c1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;/h4-9,12-13H,1-3H3;1H",C12H16N5.Cl,,,,,,YKFVRJVXWBIVBW-UHFFFAOYSA-N,,,,,,,,,,,
100.081.126,289-271-6,86679-36-9,"13-ethyl-17a-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one cyclobutanecarboxylate","13-ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl cyclobutanecarboxylate (non-preferred name)",CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(OC(=O)C5CCC5)C#C,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(OC(=O)C5CCC5)C#C,"InChI=1/C26H34O3/c1-3-25-14-12-21-20-11-9-19(27)16-18(20)8-10-22(21)23(25)13-15-26(25,4-2)29-24(28)17-6-5-7-17/h2,16-17,20-23H,3,5-15H2,1H3",C26H34O3,,,,,,WWGTWFPUIPEHNX-VPNBNBKUSA-N,,,,,,,,,,,
100.090.923,300-062-1,93919-78-9,"Undecasodium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","undecasodium hydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.11Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;;;;/q;11*+1/p-12",C12H36N4O18P6.11Na,,,,,,TYUAQWXQDUTDRQ-UHFFFAOYSA-B,,,,,,,,,,,
100.092.669,301-983-1,94087-88-4,Ethylhexadecyldimethylammonium 4-chloro-2-cyclohexylphenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium 4-chloro-2-cyclohexylphenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cl)cc1C2CCCCC2,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cl)cc1C2CCCCC2,"InChI=1/C20H44N.C12H15ClO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h5-20H2,1-4H3;6-9,14H,1-5H2/q+1;/p-1",C20H44N.C12H14ClO,,,,,,YWQPWMACFVDNRR-UHFFFAOYSA-M,,,,,,,,,,,
100.092.676,301-991-5,94087-95-3,"2-hydroxy-1,3-propanediyl bis(bromoacetate)","2-hydroxypropane-1,3-diyl bis(bromoacetate)",OC(COC(=O)CBr)COC(=O)CBr,OC(COC(=O)CBr)COC(=O)CBr,"InChI=1/C7H10Br2O5/c8-1-6(11)13-3-5(10)4-14-7(12)2-9/h5,10H,1-4H2",C7H10Br2O5,,,,,,UVFRXPBXERGFTI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.682,301-997-8,94088-01-4,"(1-carboxyethylidene)-2-ethoxybenzohydrazide, compound with 2,2'-iminodiethanol (1:1)","2-[(2-ethoxybenzoyl)hydrazono]propanoic acid - 2,2'-iminodiethanol (1:1)",CCOc1ccccc1C(=O)NN=C(C)C(O)=O.OCCNCCO,CCOc1ccccc1C(=O)NN=C(C)C(O)=O.OCCNCCO,"InChI=1/C12H14N2O4.C4H11NO2/c1-3-18-10-7-5-4-6-9(10)11(15)14-13-8(2)12(16)17;6-3-1-5-2-4-7/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17);5-7H,1-4H2",C12H14N2O4.C4H11NO2,,,,,,UVFQEZVXBRLCJH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.684,301-999-9,94088-03-6,[2-(butyrylthio)ethyl]trimethylammonium bromide,"2-(butyrylsulfanyl)-N,N,N-trimethylethanaminium bromide",[Br-].CCCC(=O)SCC[N+](C)(C)C,[Br-].CCCC(=O)SCC[N+](C)(C)C,"InChI=1/C9H20NOS.BrH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1",C9H20NOS.Br,,,,,,JLFDGMDQNMQCGF-UHFFFAOYSA-M,,,,,,,,,,,
100.092.688,302-004-0,94088-07-0,"1-ethoxy-1,3-dimethoxyoctane","1-ethoxy-1,3-dimethoxyoctane",CCCCCC(CC(OC)OCC)OC,CCCCCC(CC(OC)OCC)OC,"InChI=1/C12H26O3/c1-5-7-8-9-11(13-3)10-12(14-4)15-6-2/h11-12H,5-10H2,1-4H3",C12H26O3,,,,,,RRIRPAZDEZXYKM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.693,302-009-8,94088-12-7,(Z)-1-methylhex-3-enyl butyrate,1-methylhex-3-en-1-yl butyrate,CCCC(=O)OC(C)C\\C=C/CC,CCCC(=O)OC(C)C\C=C/CC,"InChI=1/C11H20O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h6-7,10H,4-5,8-9H2,1-3H3",C11H20O2,,,,,,WIBPCRFLIFYVAN-SREVYHEPSA-N,,,,,,,,,,,
100.092.698,302-015-0,94088-17-2,"Undec-10-enoic acid, compound with diethylamine (1:1)",undec-10-enoic acid - N-ethylethanamine (1:1),CCNCC.OC(=O)CCCCCCCCC=C,CCNCC.OC(=O)CCCCCCCCC=C,"InChI=1/C11H20O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3-5-4-2/h2H,1,3-10H2,(H,12,13);5H,3-4H2,1-2H3",C11H20O2.C4H11N,,,,,,HFNLVNNKPNQWNG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.931,300-071-0,93919-86-9,"(Z)-1-(carboxylatomethyl)-2-(heptadec-8-enyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium",[2-heptadec-8-en-1-yl-3-(2-hydroxyethyl)imidazolidin-1-ium-1-yl]acetate,CCCCCCCC\\C=C/CCCCCCCC1N(CCO)CC[NH+]1CC(=O)[O-],CCCCCCCC\C=C/CCCCCCCC1N(CCO)CC[NH+]1CC(=O)[O-],"InChI=1/C24H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25(20-21-27)18-19-26(23)22-24(28)29/h9-10,23,27H,2-8,11-22H2,1H3,(H,28,29)",C24H44N2O3,,,,,,ZDLZAZICWNEZCF-KTKRTIGZSA-N,,,,,,,,,,,
100.090.938,300-078-9,93919-93-8,"(-)-3,7-dimethyloct-6-enyl formate","3,7-dimethyloct-6-en-1-yl formate",CC(CCOC=O)CCC=C(C)C,CC(CCOC=O)CCC=C(C)C,"InChI=1/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3",C11H20O2,,,,,,DZNVIZQPWLDQHI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.939,300-079-4,93919-94-9,"2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl isobutyrate","2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)ethyl 2-methylpropanoate",CC2(C)C1CCC(C1)C2=CCOC(=O)C(C)C,CC2(C)C1CCC(C1)C2=CCOC(=O)C(C)C,"InChI=1/C15H24O2/c1-10(2)14(16)17-8-7-13-11-5-6-12(9-11)15(13,3)4/h7,10-12H,5-6,8-9H2,1-4H3",C15H24O2,,,,,,VSMIGSPOHYSZHX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.942,300-083-6,93919-97-2,"Formic acid, compound with N-[2-[(2-aminoethyl)amino]ethyl]stearamide (1:1)",formic acid - N-{2-[(2-aminoethyl)amino]ethyl}octadecanamide (1:1),CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.OC=O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.OC=O,"InChI=1/C22H47N3O.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;2-1-3/h24H,2-21,23H2,1H3,(H,25,26);1H,(H,2,3)",C22H47N3O.CH2O2,,,,,,VHKZBVJJVKNJAY-UHFFFAOYSA-N,,,,,,,,,,,
100.090.946,300-087-8,93920-04-8,"a-methyl-N,N-bis[4-(1-phenylethyl)phenyl]benzylamine","N,4-bis(1-phenylethyl)-N-[4-(1-phenylethyl)phenyl]aniline",CC(N(c1ccc(cc1)C(C)c2ccccc2)c3ccc(cc3)C(C)c4ccccc4)c5ccccc5,CC(N(c1ccc(cc1)C(C)c2ccccc2)c3ccc(cc3)C(C)c4ccccc4)c5ccccc5,"InChI=1/C36H35N/c1-27(30-13-7-4-8-14-30)32-19-23-35(24-20-32)37(29(3)34-17-11-6-12-18-34)36-25-21-33(22-26-36)28(2)31-15-9-5-10-16-31/h4-29H,1-3H3",C36H35N,,,,,,CJUSADBOQLQVKK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.948,300-089-9,93920-06-0,"a-methyl-N,N-diphenylbenzylamine",N-phenyl-N-(1-phenylethyl)aniline,CC(N(c1ccccc1)c2ccccc2)c3ccccc3,CC(N(c1ccccc1)c2ccccc2)c3ccccc3,"InChI=1/C20H19N/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3",C20H19N,,,,,,ZYSDQISYXRYGMK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.860,286-776-3,85391-23-7,"Bicyclo[2.2.1]heptane-2,3,5,6-tetraol","bicyclo[2.2.1]heptane-2,3,5,6-tetrol",OC1C(O)C2CC1C(O)C2O,OC1C(O)C2CC1C(O)C2O,"InChI=1/C7H12O4/c8-4-2-1-3(6(4)10)7(11)5(2)9/h2-11H,1H2",C7H12O4,,,,,,YPVXKWXMBKRJEB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.867,286-784-7,85391-30-6,"3,3'-(2-hydroxypropane-1,3-diyl)bis[2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one]","3,3'-(2-hydroxypropane-1,3-diyl)bis(2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one)",CC1(C)CC2(CC(C)(C)N1)OC(C)(C)N(CC(O)CN3C(=O)C4(CC(C)(C)NC(C)(C)C4)OC3(C)C)C2=O,CC1(C)CC2(CC(C)(C)N1)OC(C)(C)N(CC(O)CN3C(=O)C4(CC(C)(C)NC(C)(C)C4)OC3(C)C)C2=O,"InChI=1/C29H52N4O5/c1-22(2)15-28(16-23(3,4)30-22)20(35)32(26(9,10)37-28)13-19(34)14-33-21(36)29(38-27(33,11)12)17-24(5,6)31-25(7,8)18-29/h19,30-31,34H,13-18H2,1-12H3",C29H52N4O5,,,,,,TUSZUQKJNKKTFW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.871,286-788-9,85391-34-0,3-[(2-hydroxyethoxy)methylphosphinoyl]propionic acid,3-[(2-hydroxyethoxy)(methyl)phosphoryl]propanoic acid,CP(=O)(CCC(=O)O)OCCO,CP(=O)(CCC(=O)O)OCCO,"InChI=1/C6H13O5P/c1-12(10,11-4-3-7)5-2-6(8)9/h7H,2-5H2,1H3,(H,8,9)",C6H13O5P,,,,,,XFTNHLKADXEUNP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.872,286-789-4,85391-36-2,"2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(iminoethylene)]bis(1,3,3-trimethyl-3H-indolium) bis[tetrafluoroborate(1-)]","2,2'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(iminoethane-2,1-diyl)]bis(1,3,3-trimethyl-3H-indolium) ditetrafluoroborate",COc1cc(ccc1NCCC2=[N+](C)c3ccccc3C2(C)C)c4ccc(NCCC5=[N+](C)c6ccccc6C5(C)C)c(OC)c4.F[B-](F)(F)F.F[B-](F)(F)F,COc1cc(ccc1NCCC2=[N+](C)c3ccccc3C2(C)C)c4ccc(NCCC5=[N+](C)c6ccccc6C5(C)C)c(OC)c4.F[B-](F)(F)F.F[B-](F)(F)F,"InChI=1/C40H48N4O2.2BF4/c1-39(2)29-13-9-11-15-33(29)43(5)37(39)21-23-41-31-19-17-27(25-35(31)45-7)28-18-20-32(36(26-28)46-8)42-24-22-38-40(3,4)30-14-10-12-16-34(30)44(38)6;2*2-1(3,4)5/h9-20,25-26,41-42H,21-24H2,1-8H3;;/q+2;2*-1",C40H44N4O2.2BF4,,,,,,PGSZJTUZLPAWBG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.880,286-798-3,85391-44-2,"5,7-dimethyloctan-1-ol","5,7-dimethyloctan-1-ol",CC(C)CC(C)CCCCO,CC(C)CC(C)CCCCO,"InChI=1/C10H22O/c1-9(2)8-10(3)6-4-5-7-11/h9-11H,4-8H2,1-3H3",C10H22O,,,,,,WRHUKQDYZBSJOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.883,286-801-8,85391-47-5,2-ethylhexyl undecyl phthalate,2-ethylhexyl undecyl phthalate,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,"InChI=1/C27H44O4/c1-4-7-9-10-11-12-13-14-17-21-30-26(28)24-19-15-16-20-25(24)27(29)31-22-23(6-3)18-8-5-2/h15-16,19-20,23H,4-14,17-18,21-22H2,1-3H3",C27H44O4,,,,,,JCLYNTWIDKAJSK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.884,286-802-3,85391-48-6,"Bis(2,5-dimethylheptyl) phthalate","bis(2,5-dimethylheptyl) phthalate",CCC(C)CCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,CCC(C)CCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,"InChI=1/C26H42O4/c1-7-19(3)13-15-21(5)17-29-25(27)23-11-9-10-12-24(23)26(28)30-18-22(6)16-14-20(4)8-2/h9-12,19-22H,7-8,13-18H2,1-6H3",C26H42O4,,,,,,ABJMNVCTWJQTJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.851,298-883-2,93840-08-5,Zirconium(4+) (Z)-octadecen-1-olate,zirconium(4+) tetraoctadec-1-en-1-olate,[Zr+4].CCCCCCCCCCCCCCCC\\C=C/[O-].CCCCCCCCCCCCCCCC\\C=C/[O-].CCCCCCCCCCCCCCCC\\C=C/[O-].CCCCCCCCCCCCCCCC\\C=C/[O-],[Zr+4].CCCCCCCCCCCCCCCC\C=C/[O-].CCCCCCCCCCCCCCCC\C=C/[O-].CCCCCCCCCCCCCCCC\C=C/[O-].CCCCCCCCCCCCCCCC\C=C/[O-],"InChI=1/4C18H36O.Zr/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h4*17-19H,2-16H2,1H3;/q;;;;+4/p-4",C18H36O.1/4Zr,,,,,,JKTWFBBYJFYEAF-PNFPHFRRSA-J,,,,,,,,,,,
100.089.869,298-904-5,93840-40-5,"2,6-dicyclohexyl-m-cresol","2,6-dicyclohexyl-3-methylphenol",Cc1ccc(C2CCCCC2)c(O)c1C3CCCCC3,Cc1ccc(C2CCCCC2)c(O)c1C3CCCCC3,"InChI=1/C19H28O/c1-14-12-13-17(15-8-4-2-5-9-15)19(20)18(14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3",C19H28O,,,,,,MNMFNWIRHMYXIX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.870,298-905-0,93840-41-6,"2,2'-thiobis[4-tert-butyl-6-cyclohexylphenol]","2,2'-sulfanediylbis(4-tert-butyl-6-cyclohexylphenol)",CC(C)(C)c1cc(Sc2cc(cc(C3CCCCC3)c2O)C(C)(C)C)c(O)c(c1)C4CCCCC4,CC(C)(C)c1cc(Sc2cc(cc(C3CCCCC3)c2O)C(C)(C)C)c(O)c(c1)C4CCCCC4,"InChI=1/C32H46O2S/c1-31(2,3)23-17-25(21-13-9-7-10-14-21)29(33)27(19-23)35-28-20-24(32(4,5)6)18-26(30(28)34)22-15-11-8-12-16-22/h17-22,33-34H,7-16H2,1-6H3",C32H46O2S,,,,,,QNSYHXDDRBXVHK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.871,298-906-6,93840-42-7,"2,2'-methylenebis[4-tert-butyl-6-cyclopentylphenol]","2,2'-methylenebis(4-tert-butyl-6-cyclopentylphenol)",CC(C)(C)c1cc(Cc2cc(cc(C3CCCC3)c2O)C(C)(C)C)c(O)c(c1)C4CCCC4,CC(C)(C)c1cc(Cc2cc(cc(C3CCCC3)c2O)C(C)(C)C)c(O)c(c1)C4CCCC4,"InChI=1/C31H44O2/c1-30(2,3)24-16-22(28(32)26(18-24)20-11-7-8-12-20)15-23-17-25(31(4,5)6)19-27(29(23)33)21-13-9-10-14-21/h16-21,32-33H,7-15H2,1-6H3",C31H44O2,,,,,,YEUQGFPNRFVXOE-UHFFFAOYSA-N,,,,,,,,,,,
100.079.733,287-736-8,85567-23-3,"1-ethoxy-2-(1,1,2,2-tetrafluoroethoxy)ethane","1-(2-ethoxyethoxy)-1,1,2,2-tetrafluoroethane",CCOCCOC(F)(F)C(F)F,CCOCCOC(F)(F)C(F)F,"InChI=1/C6H10F4O2/c1-2-11-3-4-12-6(9,10)5(7)8/h5H,2-4H2,1H3",C6H10F4O2,,,,,,QHWIJHPTWWGUOY-UHFFFAOYSA-N,,,,,,,,,,,
100.079.735,287-738-9,85567-25-5,"4-(ethylthio)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","4-(ethylsulfanyl)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",CCSC1CC2C(CC1(C)O)C2(C)C,CCSC1CC2C(CC1(C)O)C2(C)C,"InChI=1/C12H22OS/c1-5-14-10-6-8-9(11(8,2)3)7-12(10,4)13/h8-10,13H,5-7H2,1-4H3",C12H22OS,,,,,,PLYPEPUHGIDMKG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.736,287-739-4,85567-26-6,2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)butyl acetate,2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)butyl acetate,CC(=O)OCC(=CC2CC1/C=C\\C2C1)CC,CC(=O)OCC(=CC2CC1/C=C\C2C1)CC,"InChI=1/C14H20O2/c1-3-11(9-16-10(2)15)6-14-8-12-4-5-13(14)7-12/h4-6,12-14H,3,7-9H2,1-2H3",C14H20O2,,,,,,BLABKEBSNRZDOA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.744,287-748-3,85567-34-6,"2-oxo-2-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethyl acetate","2-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-oxoethyl acetate",CC(=O)OCC(=O)C1C2CCC(C2)C1(C)C,CC(=O)OCC(=O)C1C2CCC(C2)C1(C)C,"InChI=1/C13H20O3/c1-8(14)16-7-11(15)12-9-4-5-10(6-9)13(12,2)3/h9-10,12H,4-7H2,1-3H3",C13H20O3,,,,,,MXJCPTYDEJUXMD-UHFFFAOYSA-N,,,,,,,,,,,
100.081.256,289-413-7,88434-68-8,"2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid","2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid",Cc1nc(C)c(C(=O)O)c(c2cccc(c2)[N+](=O)[O-])c1C(=O)O,Cc1nc(C)c(C(=O)O)c(c2cccc(c2)[N+](=O)[O-])c1C(=O)O,"InChI=1/C15H12N2O6/c1-7-11(14(18)19)13(12(15(20)21)8(2)16-7)9-4-3-5-10(6-9)17(22)23/h3-6H,1-2H3,(H,18,19)(H,20,21)",C15H12N2O6,,,,,,QLKWNZOBTJKSCW-UHFFFAOYSA-N,,,,,,,,,,,
100.081.269,289-427-3,88569-34-0,"Ethyl 7-chloro-6-fluoro-1-(formylmethylamino)-1,4-dihydro-4-oxoquinoline-3-carboxylate","ethyl 7-chloro-6-fluoro-1-[formyl(methyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylate",CCOC(=O)C1=CN(N(C)C=O)c2cc(Cl)c(F)cc2C1=O,CCOC(=O)C1=CN(N(C)C=O)c2cc(Cl)c(F)cc2C1=O,"InChI=1/C14H12ClFN2O4/c1-3-22-14(21)9-6-18(17(2)7-19)12-5-10(15)11(16)4-8(12)13(9)20/h4-7H,3H2,1-2H3",C14H12ClFN2O4,,,,,,TYZJYJKPICJYCW-UHFFFAOYSA-N,,,,,,,,,,,
100.081.271,289-429-4,88574-96-3,Cerium tetra(2-ethylhexanoate),-,[Ce+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ce+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/4C8H16O2.Ce/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+3/p-4",C8H16O2.1/4Ce,,,,,,COGVESHIJGJATC-UHFFFAOYSA-J,,,,,,,,,,,
100.081.279,289-438-3,88661-51-2,"2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propionic acid","3-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)propanoic acid",OC(=O)CCC1NCCc2c1[nH]c3ccccc23,OC(=O)CCC1NCCc2c1[nH]c3ccccc23,"InChI=1/C14H16N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,12,15-16H,5-8H2,(H,17,18)",C14H16N2O2,,,,,,XIAYIHRUXVWWSD-UHFFFAOYSA-N,,,,,,,,,,,
100.081.291,289-451-4,88938-35-6,"2-(2-phenoxyethoxy)ethyl 4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoate","2-(2-phenoxyethoxy)ethyl 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoate",O=C3C(/C#N)=C(/C)\\C(\\N=Nc1ccc(cc1)C(=O)OCCOCCOc2ccccc2)=C(\\O)N3C,O=C3C(/C#N)=C(/C)\C(\N=Nc1ccc(cc1)C(=O)OCCOCCOc2ccccc2)=C(\O)N3C,"InChI=1/C25H24N4O6/c1-17-21(16-26)23(30)29(2)24(31)22(17)28-27-19-10-8-18(9-11-19)25(32)35-15-13-33-12-14-34-20-6-4-3-5-7-20/h3-11,31H,12-15H2,1-2H3",C25H24N4O6,,,,,,HXWRZPWVMDQIFO-UHFFFAOYSA-N,,,,,,,,,,,
100.081.305,289-467-1,89074-09-9,"[2-[[4-(aminosulphonyl)phenyl]amino]-1,4-dihydro-4-oxo-5-pyrimidinyl]carbamoyl chloride","{4-oxo-2-[(4-sulfamoylphenyl)amino]-1,4-dihydropyrimidin-5-yl}carbamic chloride",NS(=O)(=O)c1ccc(NC2=NC(=O)C(=CN2)NC(=O)Cl)cc1,NS(=O)(=O)c1ccc(NC2=NC(=O)C(=CN2)NC(=O)Cl)cc1,"InChI=1/C11H10ClN5O4S/c12-10(19)16-8-5-14-11(17-9(8)18)15-6-1-3-7(4-2-6)22(13,20)21/h1-5H,(H,16,19)(H2,13,20,21)(H2,14,15,17,18)",C11H10ClN5O4S,,,,,,QOYFQJMEOJHGAS-UHFFFAOYSA-N,,,,,,,,,,,
100.081.314,289-477-6,89163-35-9,Methyl (hydroxymethyl)octadecanoate,methyl 2-(hydroxymethyl)octadecanoate,CCCCCCCCCCCCCCCCC(CO)C(=O)OC,CCCCCCCCCCCCCCCCC(CO)C(=O)OC,"InChI=1/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18-21)20(22)23-2/h19,21H,3-18H2,1-2H3",C20H40O3,,,,,,CCGRKEOSPPYTAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.578,287-566-4,85536-80-7,"Tetrasodium 2-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl]azo]-5-[[4-fluoro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate","tetrasodium 2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}-5-({4-fluoro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].O=C4C(/CS([O-])(=O)=O)=C(/C)\\C(\\N=Nc3cc(c(Nc2nc(F)nc(Nc1cccc(c1)S([O-])(=O)=O)n2)cc3S([O-])(=O)=O)S([O-])(=O)=O)=C(\\O)N4CC,[Na+].[Na+].[Na+].[Na+].O=C4C(/CS([O-])(=O)=O)=C(/C)\C(\N=Nc3cc(c(Nc2nc(F)nc(Nc1cccc(c1)S([O-])(=O)=O)n2)cc3S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N4CC,"InChI=1/C24H23FN8O14S4.4Na/c1-3-33-20(34)14(10-48(36,37)38)11(2)19(21(33)35)32-31-16-9-17(50(42,43)44)15(8-18(16)51(45,46)47)27-24-29-22(25)28-23(30-24)26-12-5-4-6-13(7-12)49(39,40)41;;;;/h4-9,35H,3,10H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,26,27,28,29,30);;;;/q;4*+1/p-4",C24H23FN8O14S4.4Na,,,,,,JJPGBNDFPFZVFN-UHFFFAOYSA-J,,,,,,,,,,,
100.081.130,289-275-8,86702-62-7,N-[3-(hexadecylamino)propyl]-D-gluconamide,"N-[3-(hexadecylamino)propyl]-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C25H52N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-19-27-25(33)24(32)23(31)22(30)21(29)20-28/h21-24,26,28-32H,2-20H2,1H3,(H,27,33)",C25H52N2O6,,,,,,BDYGHEUSJLDPJU-JLLPCOHGSA-N,,,,,,,,,,,
100.081.145,289-292-0,86949-75-9,Chlorooctadecylsilane,chloro(octadecyl)silane,CCCCCCCCCCCCCCCCCC[SiH2]Cl,CCCCCCCCCCCCCCCCCC[SiH2]Cl,"InChI=1/C18H39ClSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h2-18,20H2,1H3",C18H39ClSi,,,,,,AZUXXYCNTKYZJB-UHFFFAOYSA-N,,,,,,,,,,,
100.081.146,289-293-6,87001-12-5,"N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide","N-(4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)-2-{4-[(4-hydroxyphenyl)sulfonyl]phenoxy}dodecanamide",CCCCCCCCCCC(Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2)C(=O)Nc3ccc(Cl)c(NC4=NN(C(=O)C4)c5c(Cl)cc(Cl)cc5Cl)c3,CCCCCCCCCCC(Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2)C(=O)Nc3ccc(Cl)c(NC4=NN(C(=O)C4)c5c(Cl)cc(Cl)cc5Cl)c3,"InChI=1/C39H40Cl4N4O6S/c1-2-3-4-5-6-7-8-9-10-35(53-28-14-18-30(19-15-28)54(51,52)29-16-12-27(48)13-17-29)39(50)44-26-11-20-31(41)34(23-26)45-36-24-37(49)47(46-36)38-32(42)21-25(40)22-33(38)43/h11-23,35,48H,2-10,24H2,1H3,(H,44,50)(H,45,46)",C39H40Cl4N4O6S,,,,,,JTVOJWAROXFHTH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.149,289-296-2,87061-04-9,"3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]propane-1,2-diol","3-[(2-isopropyl-5-methylcyclohexyl)oxy]propane-1,2-diol",CC(C)C1CCC(C)CC1OCC(O)CO,CC(C)C1CCC(C)CC1OCC(O)CO,"InChI=1/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3",C13H26O3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12588,https://echa.europa.eu/substance-information/-/substanceinfo/100.081.149,MDVYIGJINBYKOM-UHFFFAOYSA-N,,,,,,,,,,,
100.081.150,289-297-8,87075-62-5,"(Z,Z)-N-octadec-9-enyldocos-13-enamide",N-octadec-9-en-1-yldocos-13-enamide,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)NCCCCCCCCC=CCCCCCCCC,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCCCCCCCC=CCCCCCCCC,"InChI=1/C40H77NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-39H2,1-2H3,(H,41,42)",C40H77NO,,,,,,SFUDABXTUIYDDF-ZZSQLFNXSA-N,,,,,,,,,,,
100.081.154,289-301-8,87148-01-4,"2-ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate","2-ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate",CCC(CCCC)COC(=O)C(=CC=Cc1ccccc1)C(C)=O,CCC(CCCC)COC(=O)C(=CC=Cc1ccccc1)C(C)=O,"InChI=1/C21H28O3/c1-4-6-11-18(5-2)16-24-21(23)20(17(3)22)15-10-14-19-12-8-7-9-13-19/h7-10,12-15,18H,4-6,11,16H2,1-3H3",C21H28O3,,,,,,COGSJLDNUHGNQV-UHFFFAOYSA-N,,,,,,,,,,,
100.081.157,289-304-4,87186-92-3,"1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]phenyl]amino]anthracene-2-sulphonic acid","1-amino-9,10-dioxo-4-{[3-(propionylamino)phenyl]amino}-9,10-dihydroanthracene-2-sulfonic acid",CCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S(O)(=O)=O,CCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S(O)(=O)=O,"InChI=1/C23H19N3O6S/c1-2-18(27)26-13-7-5-6-12(10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-8-3-4-9-15(14)23(20)29/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)",C23H19N3O6S,,,,,,VXTMMTJFULCPPG-UHFFFAOYSA-N,,,,,,,,,,,
100.081.163,289-311-2,87310-12-1,Nonyl nonan-1-oate,nonyl nonanoate,CCCCCCCCCOC(=O)CCCCCCCC,CCCCCCCCCOC(=O)CCCCCCCC,"InChI=1/C18H36O2/c1-3-5-7-9-11-13-15-17-20-18(19)16-14-12-10-8-6-4-2/h3-17H2,1-2H3",C18H36O2,,,,,,WWDHABCVIVMHKP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.391,287-360-4,85480-79-1,6-amino-5-[[5-chloro-2-[(p-tolyl)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-5-({5-chloro-2-[(4-methylphenyl)sulfonyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid,O=S(=O)(c3ccc(Cl)cc3N=Nc1c2c(O)cc(cc2ccc1N)S(O)(=O)=O)c4ccc(C)cc4,O=S(=O)(c3ccc(Cl)cc3N=Nc1c2c(O)cc(cc2ccc1N)S(O)(=O)=O)c4ccc(C)cc4,"InChI=1/C23H18ClN3O6S2/c1-13-2-6-16(7-3-13)34(29,30)21-9-5-15(24)11-19(21)26-27-23-18(25)8-4-14-10-17(35(31,32)33)12-20(28)22(14)23/h2-12,28H,25H2,1H3,(H,31,32,33)",C23H18ClN3O6S2,,,,,,VPDBOKPMZDXVIT-UHFFFAOYSA-N,,,,,,,,,,,
100.079.395,287-365-1,85480-83-7,"9-(2-carboxylatophenyl)-3,6-bis[(o-tolyl)amino]xanthylium","2-{3,6-bis[(2-methylphenyl)amino]xanthenium-9-yl}benzoate",Cc1ccccc1Nc2ccc3c(c4ccccc4C(=O)[O-])c5ccc(Nc6ccccc6C)cc5[o+]c3c2,Cc1ccccc1Nc2ccc3c(c4ccccc4C(=O)[O-])c5ccc(Nc6ccccc6C)cc5[o+]c3c2,"InChI=1/C34H26N2O3/c1-21-9-3-7-13-29(21)35-23-15-17-27-31(19-23)39-32-20-24(36-30-14-8-4-10-22(30)2)16-18-28(32)33(27)25-11-5-6-12-26(25)34(37)38/h3-20,35-36H,1-2H3",C34H26N2O3,,,,,,WWQOZJUFLYCIKB-UHFFFAOYSA-M,,,,,,,,,,,
100.081.164,289-312-8,87320-05-6,"[2-[1,1-dimethyl-2-[(1-oxoallyl)oxy]ethyl]-5-ethyl-1,3-dioxan-5-yl]methyl acrylate","{2-[2-(acryloyloxy)-1,1-dimethylethyl]-5-ethyl-1,3-dioxan-5-yl}methyl acrylate",CCC1(COC(=O)C=C)COC(OC1)C(C)(C)COC(=O)C=C,CCC1(COC(=O)C=C)COC(OC1)C(C)(C)COC(=O)C=C,"InChI=1/C17H26O6/c1-6-13(18)20-9-16(4,5)15-22-11-17(8-3,12-23-15)10-21-14(19)7-2/h6-7,15H,1-2,8-12H2,3-5H3",C17H26O6,,,,,,YNTQTLGBCMXNFX-UHFFFAOYSA-N,,,,,,,,,,,
100.081.167,289-315-4,87376-02-1,2-(2-ethylbutyl)cyclopentan-1-one,2-(2-ethylbutyl)cyclopentanone,CCC(CC)CC1CCCC1=O,CCC(CC)CC1CCCC1=O,"InChI=1/C11H20O/c1-3-9(4-2)8-10-6-5-7-11(10)12/h9-10H,3-8H2,1-2H3",C11H20O,,,,,,XRFSVJNHSAGDIS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.962,300-104-9,93920-20-8,"Undecanoic acid, compound with 1,1'-iminodipropan-2-ol (1:1)","undecanoic acid - 1,1'-iminodipropan-2-ol (1:1)",CCCCCCCCCCC(=O)O.CC(O)CNCC(C)O,CCCCCCCCCCC(=O)O.CC(O)CNCC(C)O,"InChI=1/C11H22O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-5(8)3-7-4-6(2)9/h2-10H2,1H3,(H,12,13);5-9H,3-4H2,1-2H3",C11H22O2.C6H15NO2,,,,,,HPTCWSAVEQVHNC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.743,298-764-5,93838-91-6,(+)-4-amino-5-(aminosulphonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide,4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide,CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)N,CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)N,"InChI=1/C15H24N4O4S/c1-3-19-6-4-5-10(19)9-18-15(20)11-7-14(24(17,21)22)12(16)8-13(11)23-2/h7-8,10H,3-6,9,16H2,1-2H3,(H,18,20)(H2,17,21,22)",C15H24N4O4S,,,,,,LPMXVPCRYKKYRR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.377,300-560-9,93942-11-1,"N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]octadeca-9,12-dienamide monoacetate","N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]octadeca-9,12-dienamide acetate",O=C(NCCNCCNCCN)CCCCCCCC=CCC=CCCCCC.CC(O)=O,O=C(NCCNCCNCCN)CCCCCCCC=CCC=CCCCCC.CC(O)=O,"InChI=1/C24H48N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25;1-2(3)4/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29);1H3,(H,3,4)",C24H48N4O.C2H4O2,,,,,,LUEUPNTVGDTBLL-UHFFFAOYSA-N,,,,,,,,,,,
100.091.383,300-567-7,93942-17-7,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]palmitamide monoacetate,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)hexadecanamide acetate,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,"InChI=1/C24H53N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)29-23-22-28-21-20-27-19-18-26-17-16-25;1-2(3)4/h26-28H,2-23,25H2,1H3,(H,29,30);1H3,(H,3,4)",C24H53N5O.C2H4O2,,,,,,BKZLIPQXFKZADJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.385,300-569-8,93942-19-9,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octadec-9-enamide monoacetate,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octadec-9-enamide acetate,O=C(NCCNCCNCCNCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O,O=C(NCCNCCNCCNCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O,"InChI=1/C26H55N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h9-10,28-30H,2-8,11-25,27H2,1H3,(H,31,32);1H3,(H,3,4)",C26H55N5O.C2H4O2,,,,,,YSHRZHNEHCVVTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.701,302-018-7,94088-20-7,"Ethyl 2-ethyltetrahydro-3-methyl-4,5-dioxo-3-furoate","ethyl 2-ethyl-3-methyl-4,5-dioxotetrahydrofuran-3-carboxylate",CCOC(=O)C1(C)C(CC)OC(=O)C1=O,CCOC(=O)C1(C)C(CC)OC(=O)C1=O,"InChI=1/C10H14O5/c1-4-6-10(3,9(13)14-5-2)7(11)8(12)15-6/h6H,4-5H2,1-3H3",C10H14O5,,,,,,MDCJZBLMUIGLDD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.708,302-026-0,94088-27-4,(Z)-2-(3-hexenyloxy)ethanol,2-(hex-3-en-1-yloxy)ethanol,CC\\C=C/CCOCCO,CC\C=C/CCOCCO,"InChI=1/C8H16O2/c1-2-3-4-5-7-10-8-6-9/h3-4,9H,2,5-8H2,1H3",C8H16O2,,,,,,QGOZUGDFQXKWJX-ARJAWSKDSA-N,,,,,,,,,,,
100.092.709,302-027-6,94088-28-5,"(E,E)-1,1-diethoxyhexa-2,4-diene","1,1-diethoxyhexa-2,4-diene",CCOC(OCC)\\C=C\\C=C\\C,CCOC(OCC)\C=C\C=C\C,"InChI=1/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h4,7-10H,5-6H2,1-3H3",C10H18O2,,,,,,PDAPABBBKRHCMD-NUXDXBQRSA-N,,,,,,,,,,,
100.092.726,302-045-4,94088-45-6,6-benzyloxy-2-fluorobenzonitrile,2-(benzyloxy)-6-fluorobenzonitrile,Fc1cccc(OCc2ccccc2)c1C#N,Fc1cccc(OCc2ccccc2)c1C#N,"InChI=1/C14H10FNO/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8H,10H2",C14H10FNO,,,,,,ITKHCBLEEGSDOF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.728,302-048-0,94088-47-8,"2,6-bis(phenylmethoxy)benzonitrile","2,6-bis(benzyloxy)benzonitrile",N#Cc1c(OCc2ccccc2)cccc1OCc3ccccc3,N#Cc1c(OCc2ccccc2)cccc1OCc3ccccc3,"InChI=1/C21H17NO2/c22-14-19-20(23-15-17-8-3-1-4-9-17)12-7-13-21(19)24-16-18-10-5-2-6-11-18/h1-13H,15-16H2",C21H17NO2,,,,,,VMVKBYOKFOFDOD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.730,302-050-1,94088-49-0,"3,3'-[carbonylbis[imino(5-ethoxy-2-methyl-4,1-phenylene)azo]]bis[6-chlorobenzenesulphonic] acid",2-chloro-5-({4-[({4-[(4-chloro-3-sulfophenyl)diazenyl]-2-ethoxy-5-methylphenyl}carbamoyl)amino]-5-ethoxy-2-methylphenyl}diazenyl)benzenesulfonic acid,O=S(O)(=O)c1cc(ccc1Cl)N=Nc4cc(OCC)c(NC(=O)Nc3cc(C)c(N=Nc2ccc(Cl)c(c2)S(O)(=O)=O)cc3OCC)cc4C,O=S(O)(=O)c1cc(ccc1Cl)N=Nc4cc(OCC)c(NC(=O)Nc3cc(C)c(N=Nc2ccc(Cl)c(c2)S(O)(=O)=O)cc3OCC)cc4C,"InChI=1/C31H30Cl2N6O9S2/c1-5-47-27-15-23(38-36-19-7-9-21(32)29(13-19)49(41,42)43)17(3)11-25(27)34-31(40)35-26-12-18(4)24(16-28(26)48-6-2)39-37-20-8-10-22(33)30(14-20)50(44,45)46/h7-16H,5-6H2,1-4H3,(H2,34,35,40)(H,41,42,43)(H,44,45,46)",C31H30Cl2N6O9S2,,,,,,MKKXLCRLLZFQSR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.505,298-503-5,93805-20-0,"N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxoanthryl)propionamide","N-(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)propanamide",CCC(=O)Nc1cc(Br)c(N)c2C(=O)c3ccccc3C(=O)c12,CCC(=O)Nc1cc(Br)c(N)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H13BrN2O3/c1-2-12(21)20-11-7-10(18)15(19)14-13(11)16(22)8-5-3-4-6-9(8)17(14)23/h3-7H,2,19H2,1H3,(H,20,21)",C17H13BrN2O3,,,,,,IJYAJCZEDGJGQT-UHFFFAOYSA-N,,,,,,,,,,,
100.091.732,300-950-9,93965-03-8,"Benzenesulfonic acid, 5-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-, sodium salt, compd. with 2,2'-iminobis[ethanol]","sodium 5-({4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}benzenesulfonate - 2,2'-iminodiethanol (1:1)",[Na+].OCCNCCO.OS(=O)(=O)c1ccc(cc1)Nc2nc(nc(n2)N(CCO)CCO)Nc5ccc(C=Cc3ccc(cc3S([O-])(=O)=O)Nc4nc(nc(n4)N(CCO)CCO)N(CCO)CCO)c(c5)S(O)(=O)=O,[Na+].OCCNCCO.OS(=O)(=O)c1ccc(cc1)Nc2nc(nc(n2)N(CCO)CCO)Nc5ccc(C=Cc3ccc(cc3S([O-])(=O)=O)Nc4nc(nc(n4)N(CCO)CCO)N(CCO)CCO)c(c5)S(O)(=O)=O,"InChI=1/C38H48N12O15S3.C4H11NO2.Na/c51-17-11-48(12-18-52)36-43-33(39-27-7-9-30(10-8-27)66(57,58)59)42-34(44-36)40-28-5-3-25(31(23-28)67(60,61)62)1-2-26-4-6-29(24-32(26)68(63,64)65)41-35-45-37(49(13-19-53)14-20-54)47-38(46-35)50(15-21-55)16-22-56;6-3-1-5-2-4-7;/h1-10,23-24,51-56H,11-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,41,45,46,47)(H2,39,40,42,43,44);5-7H,1-4H2;/q;;+1/p-1",C38H48N12O15S3.xC4H11NO2.xNa,,,,,,JMCFVQSJWOCQQQ-UHFFFAOYSA-M,,,,,,,,,,,
100.091.735,300-954-0,93965-06-1,1-[2-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]phenyl]ethylamino]ethyl]pyridinium chloride,1-{2-[(4-{[2-chloro-4-(methylsulfonyl)phenyl]diazenyl}phenyl)(ethyl)amino]ethyl}pyridinium chloride,[Cl-].CS(=O)(=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[Cl-].CS(=O)(=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C22H24ClN4O2S.ClH/c1-3-27(16-15-26-13-5-4-6-14-26)19-9-7-18(8-10-19)24-25-22-12-11-20(17-21(22)23)30(2,28)29;/h4-14,17H,3,15-16H2,1-2H3;1H/q+1;/p-1",C22H24ClN4O2S.Cl,,,,,,YCFZHGGVBQCRHG-UHFFFAOYSA-M,,,,,,,,,,,
100.091.745,300-965-0,93965-16-3,4-methoxymorpholine,4-methoxymorpholine,CON1CCOCC1,CON1CCOCC1,"InChI=1/C5H11NO2/c1-7-6-2-4-8-5-3-6/h2-5H2,1H3",C5H11NO2,,,,,,VSHBABSXFHFTJN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.749,300-969-2,93965-20-9,"3-hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propyl aziridine-1-propionate","2-{[(3-aziridin-1-ylpropanoyl)oxy]methyl}-2-(hydroxymethyl)propane-1,3-diyl bisacrylate",OCC(COC(=O)CCN1CC1)(COC(=O)C=C)COC(=O)C=C,OCC(COC(=O)CCN1CC1)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C16H23NO7/c1-3-13(19)22-10-16(9-18,11-23-14(20)4-2)12-24-15(21)5-6-17-7-8-17/h3-4,18H,1-2,5-12H2",C16H23NO7,,,,,,GVBDDZNAFQDZPW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.888,286-807-0,85391-52-2,"2,5-dimethylheptyl nonyl phthalate","2,5-dimethylheptyl nonyl phthalate",CCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,"InChI=1/C26H42O4/c1-5-7-8-9-10-11-14-19-29-25(27)23-15-12-13-16-24(23)26(28)30-20-22(4)18-17-21(3)6-2/h12-13,15-16,21-22H,5-11,14,17-20H2,1-4H3",C26H42O4,,,,,,NTBVTZQYXKJYNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.895,286-814-9,85391-59-9,"3,5',6'-tris(dimethylamino)spiro[9H-fluorene-9,1'(3'H)-isobenzofuran]-3'-one","3',5,6-tris(dimethylamino)-3H-spiro[2-benzofuran-1,9'-fluoren]-3-one",CN(C)c1ccc2c(c1)c3ccccc3C24OC(=O)c5cc(N(C)C)c(cc45)N(C)C,CN(C)c1ccc2c(c1)c3ccccc3C24OC(=O)c5cc(N(C)C)c(cc45)N(C)C,"InChI=1/C26H27N3O2/c1-27(2)16-11-12-21-18(13-16)17-9-7-8-10-20(17)26(21)22-15-24(29(5)6)23(28(3)4)14-19(22)25(30)31-26/h7-15H,1-6H3",C26H27N3O2,,,,,,OBOJLOMUIRJNRR-UHFFFAOYSA-N,,,,,,,,,,,
100.078.902,286-822-2,85391-66-8,"4-chloro-2-(2,6-dichlorophenoxy)benzothiazole","4-chloro-2-(2,6-dichlorophenoxy)-1,3-benzothiazole",Clc1cccc(Cl)c1Oc2nc3c(Cl)cccc3s2,Clc1cccc(Cl)c1Oc2nc3c(Cl)cccc3s2,InChI=1/C13H6Cl3NOS/c14-7-3-2-6-10-11(7)17-13(19-10)18-12-8(15)4-1-5-9(12)16/h1-6H,C13H6Cl3NOS,,,,,,AWYLGYOINMTQQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.903,286-823-8,85391-67-9,"4-chloro-2-(3,4-dichlorophenoxy)benzothiazole","4-chloro-2-(3,4-dichlorophenoxy)-1,3-benzothiazole",Clc1ccc(Oc2nc3c(Cl)cccc3s2)cc1Cl,Clc1ccc(Oc2nc3c(Cl)cccc3s2)cc1Cl,InChI=1/C13H6Cl3NOS/c14-8-5-4-7(6-10(8)16)18-13-17-12-9(15)2-1-3-11(12)19-13/h1-6H,C13H6Cl3NOS,,,,,,WVZBHTIDWMGRPP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.904,286-824-3,85391-68-0,"4-chloro-2-(3,5-dichlorophenoxy)benzothiazole","4-chloro-2-(3,5-dichlorophenoxy)-1,3-benzothiazole",Clc1cc(Cl)cc(Oc2nc3c(Cl)cccc3s2)c1,Clc1cc(Cl)cc(Oc2nc3c(Cl)cccc3s2)c1,InChI=1/C13H6Cl3NOS/c14-7-4-8(15)6-9(5-7)18-13-17-12-10(16)2-1-3-11(12)19-13/h1-6H,C13H6Cl3NOS,,,,,,CZKFUVLVALZBLH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.915,286-836-9,85391-81-7,"2,4-dibutyl-2,4-bis(dodecylthio)-7-(ethylthio)-1,5-dioxa-3-thia-2,4-distannacycloundecane-6,11-dione","2,4-dibutyl-2,4-bis(dodecylsulfanyl)-7-(ethylsulfanyl)-1,5-dioxa-3-thia-2,4-distannacycloundecane-6,11-dione",CCCCCCCCCCCCS[Sn]1(CCCC)OC(=O)CCCC(SCC)C(=O)O[Sn](CCCC)(SCCCCCCCCCCCC)S1,CCCCCCCCCCCCS[Sn]1(CCCC)OC(=O)CCCC(SCC)C(=O)O[Sn](CCCC)(SCCCCCCCCCCCC)S1,"InChI=1/2C12H26S.C8H14O4S.2C4H9.S.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-13-6(8(11)12)4-3-5-7(9)10;2*1-3-4-2;;;/h2*13H,2-12H2,1H3;6H,2-5H2,1H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;;;/q;;;;;;2*+2/p-4/rC40H80O4S4Sn2/c1-6-11-15-17-19-21-23-25-27-29-34-46-49(36-13-8-3)43-39(41)33-31-32-38(45-10-5)40(42)44-50(48-49,37-14-9-4)47-35-30-28-26-24-22-20-18-16-12-7-2/h38H,6-37H2,1-5H3",C40H80O4S4Sn2,,,,,,WSTLEEBNBWQQCG-UHFFFAOYSA-J,,,,,,,,,,,
100.078.926,286-848-4,85391-92-0,"3,7-dimethylocta-3,6-dienoic acid","3,7-dimethylocta-3,6-dienoic acid",OC(=O)CC(C)=CC\\C=C(/C)C,OC(=O)CC(C)=CC\C=C(/C)C,"InChI=1/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5-6H,4,7H2,1-3H3,(H,11,12)",C10H16O2,,,,,,LYZWBENYAKKYLM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.872,298-907-1,93840-43-8,"2,6-dicyclohexyl-5-isopropyl-m-cresol","2,6-dicyclohexyl-3-isopropyl-5-methylphenol",CC(C)c1cc(C)c(C2CCCCC2)c(O)c1C3CCCCC3,CC(C)c1cc(C)c(C2CCCCC2)c(O)c1C3CCCCC3,"InChI=1/C22H34O/c1-15(2)19-14-16(3)20(17-10-6-4-7-11-17)22(23)21(19)18-12-8-5-9-13-18/h14-15,17-18,23H,4-13H2,1-3H3",C22H34O,,,,,,LAGFOZUICLZQFM-UHFFFAOYSA-N,,,,,,,,,,,
100.081.323,289-487-0,89329-09-9,"(2R-trans)-2-[2,2-bis(4-fluorophenyl)-1,3-benzodioxol-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","2-[2,2-bis(4-fluorophenyl)-1,3-benzodioxol-5-yl]chromane-3,5,7-triol",O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc4OC(Oc4c3)(c5ccc(F)cc5)c6ccc(F)cc6,O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc4OC(Oc4c3)(c5ccc(F)cc5)c6ccc(F)cc6,"InChI=1/C28H20F2O6/c29-18-6-2-16(3-7-18)28(17-4-8-19(30)9-5-17)35-24-10-1-15(11-26(24)36-28)27-23(33)14-21-22(32)12-20(31)13-25(21)34-27/h1-13,23,27,31-33H,14H2",C28H20F2O6,,,,,,PLNCZRAUVTYXPB-WNCULLNHSA-N,,,,,,,,,,,
100.081.324,289-488-6,89329-10-2,"(2R-trans)-3,4-dihydro-2-spiro[1,3-benzodioxole-2,9'-[9H]fluoren]-5-yl-2H-1-benzopyran-3,5,7-triol","2-spiro[1,3-benzodioxole-2,9'-fluoren]-5-ylchromane-3,5,7-triol",O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc4OC5(Oc4c3)c6ccccc6c7ccccc57,O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc4OC5(Oc4c3)c6ccccc6c7ccccc57,"InChI=1/C28H20O6/c29-16-12-22(30)19-14-23(31)27(32-25(19)13-16)15-9-10-24-26(11-15)34-28(33-24)20-7-3-1-5-17(20)18-6-2-4-8-21(18)28/h1-13,23,27,29-31H,14H2",C28H20O6,,,,,,ZOSNYNDCXWZWPF-WNCULLNHSA-N,,,,,,,,,,,
100.081.326,289-490-7,89329-12-4,"(2R-trans)-3,4-dihydro-2-[2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-2H-1-benzopyran-3,5,7-triol","2-[2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]chromane-3,5,7-triol",O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc4OC(Oc4c3)(c5ccccc5)c6ccc(cc6)[N+](=O)[O-],O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc4OC(Oc4c3)(c5ccccc5)c6ccc(cc6)[N+](=O)[O-],"InChI=1/C28H21NO8/c30-20-13-22(31)21-15-23(32)27(35-25(21)14-20)16-6-11-24-26(12-16)37-28(36-24,17-4-2-1-3-5-17)18-7-9-19(10-8-18)29(33)34/h1-14,23,27,30-32H,15H2",C28H21NO8,,,,,,TZIOWTSBLLCTJO-QFIHXRDCSA-N,,,,,,,,,,,
100.081.335,289-501-5,89407-25-0,4-ethylthiobenzophenone,[4-(ethylsulfanyl)phenyl](phenyl)methanone,CCSc1ccc(cc1)C(=O)c2ccccc2,CCSc1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C15H14OS/c1-2-17-14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3",C15H14OS,,,,,,NANYNGAUTNBYKH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.337,289-503-6,89457-52-3,3-hydroxy-1-methylpropyl nonan-1-oate,3-hydroxy-1-methylpropyl nonanoate,CCCCCCCCC(=O)OC(C)CCO,CCCCCCCCC(=O)OC(C)CCO,"InChI=1/C13H26O3/c1-3-4-5-6-7-8-9-13(15)16-12(2)10-11-14/h12,14H,3-11H2,1-2H3",C13H26O3,,,,,,ODCLBFHKYXZZSM-UHFFFAOYSA-N,,,,,,,,,,,
100.081.340,289-506-2,89504-75-6,"Tetrasodium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate","tetrasodium 5,5'-dimethyl-4,4'-bis{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}biphenyl-2,2'-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2cc(c(cc2C)c3cc(C)c(cc3S([O-])(=O)=O)N=NC5C(\\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)S([O-])(=O)=O)C6=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2cc(c(cc2C)c3cc(C)c(cc3S([O-])(=O)=O)N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)S([O-])(=O)=O)C6=O,"InChI=1/C34H30N8O14S4.4Na/c1-17-13-25(29(59(51,52)53)15-27(17)35-37-31-19(3)39-41(33(31)43)21-5-9-23(10-6-21)57(45,46)47)26-14-18(2)28(16-30(26)60(54,55)56)36-38-32-20(4)40-42(34(32)44)22-7-11-24(12-8-22)58(48,49)50;;;;/h5-16,31-32H,1-4H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4",C34H30N8O14S4.4Na,,,,,,SJKCTFXYPDUNNP-UHFFFAOYSA-J,,,,,,,,,,,
100.081.343,289-509-9,89611-20-1,Octyl cyclohexanecarboxylate,octyl cyclohexanecarboxylate,CCCCCCCCOC(=O)C1CCCCC1,CCCCCCCCOC(=O)C1CCCCC1,"InChI=1/C15H28O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h14H,2-13H2,1H3",C15H28O2,,,,,,TZBMAJZGRONTGN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.345,289-512-5,89630-70-6,"3-chlorodihydro-3,5-dimethyl-5-phenylfuran-2(3H)-one","3-chloro-3,5-dimethyl-5-phenyldihydrofuran-2(3H)-one",CC1(Cl)CC(C)(OC1=O)c2ccccc2,CC1(Cl)CC(C)(OC1=O)c2ccccc2,"InChI=1/C12H13ClO2/c1-11(13)8-12(2,15-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",C12H13ClO2,,,,,,AIOSGNIKZIVZJX-UHFFFAOYSA-N,,,,,,,,,,,
100.081.346,289-513-0,89636-94-2,"14-(2,4-dichloro-5-methylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol","14-(2,4-dichloro-5-methylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol",Cc1cc(OCCOCCOCCOCCOCCO)c(Cl)cc1Cl,Cc1cc(OCCOCCOCCOCCOCCO)c(Cl)cc1Cl,"InChI=1/C17H26Cl2O6/c1-14-12-17(16(19)13-15(14)18)25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-20/h12-13,20H,2-11H2,1H3",C17H26Cl2O6,,,,,,YVLPQTXZSBBSHF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.347,289-514-6,89639-87-2,(furfurylthio)acetic acid,[(2-furylmethyl)sulfanyl]acetic acid,OC(=O)CSCc1occc1,OC(=O)CSCc1occc1,"InChI=1/C7H8O3S/c8-7(9)5-11-4-6-2-1-3-10-6/h1-3H,4-5H2,(H,8,9)",C7H8O3S,,,,,,ZZDIHIJSUARXBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.354,289-521-4,89766-86-9,Potassium (2S-trans)-3-[[[2-(formylamino)thiazol-4-yl]acetyl]amino]-2-methyl-4-oxoazetidine-1-sulphonate,"potassium 3-{[(2-formamido-1,3-thiazol-4-yl)acetyl]amino}-2-methyl-4-oxoazetidine-1-sulfonate",[K+].C[C@H]1[C@H](NC(=O)Cc2csc(NC=O)n2)C(=O)N1S(=O)(=O)[O-],[K+].C[C@H]1[C@H](NC(=O)Cc2csc(NC=O)n2)C(=O)N1S(=O)(=O)[O-],"InChI=1/C10H12N4O6S2.K/c1-5-8(9(17)14(5)22(18,19)20)13-7(16)2-6-3-21-10(12-6)11-4-15;/h3-5,8H,2H2,1H3,(H,13,16)(H,11,12,15)(H,18,19,20);/q;+1/p-1",C10H12N4O6S2.K,,,,,,IUJIIGDQUMEJDT-XMLTWROESA-M,,,,,,,,,,,
100.081.357,289-525-6,89792-76-7,"(2,4-dichloro-6-methoxyphenyl)hydrazine","(2,4-dichloro-6-methoxyphenyl)hydrazine",COc1cc(Cl)cc(Cl)c1NN,COc1cc(Cl)cc(Cl)c1NN,"InChI=1/C7H8Cl2N2O/c1-12-6-3-4(8)2-5(9)7(6)11-10/h2-3,11H,10H2,1H3",C7H8Cl2N2O,,,,,,RSXGDQAKGGEHBX-UHFFFAOYSA-N,,,,,,,,,,,
100.081.169,289-318-0,87478-71-5,Isopropylammonium nitrate,propan-2-aminium nitrate,CC(C)[NH3+].[O-][N+](=O)[O-],CC(C)[NH3+].[O-][N+](=O)[O-],"InChI=1/C3H9N.NO3/c1-3(2)4;2-1(3)4/h3H,4H2,1-2H3;/q;-1/p+1",C3H9N.HNO3,,,,,,NEOKMOMGZMVNQQ-UHFFFAOYSA-O,,,,,,,,,,,
100.081.175,289-324-3,87606-56-2,2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-[(4-nitrophenyl)azo]thiophene-3-carbonitrile,2-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-5-[(4-nitrophenyl)diazenyl]thiophene-3-carbonitrile,CCN(CCC#N)c1ccc(cc1)N=Nc3sc(N=Nc2ccc(cc2)[N+]([O-])=O)cc3C#N,CCN(CCC#N)c1ccc(cc1)N=Nc3sc(N=Nc2ccc(cc2)[N+]([O-])=O)cc3C#N,"InChI=1/C22H18N8O2S/c1-2-29(13-3-12-23)19-8-4-18(5-9-19)26-28-22-16(15-24)14-21(33-22)27-25-17-6-10-20(11-7-17)30(31)32/h4-11,14H,2-3,13H2,1H3",C22H18N8O2S,,,,,,QFUYAFZLCZKYQH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.180,289-330-6,87641-24-5,"2'-methylspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxane]","2'-methylspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxane]",CC1OCC2(CO1)CC3CCC2C3,CC1OCC2(CO1)CC3CCC2C3,"InChI=1/C11H18O2/c1-8-12-6-11(7-13-8)5-9-2-3-10(11)4-9/h8-10H,2-7H2,1H3",C11H18O2,,,,,,HSNHBDAGWWAPOE-UHFFFAOYSA-N,,,,,,,,,,,
100.081.186,289-336-9,87730-54-9,4-hydroxy-3-[[2-methoxy-4-(N-methylamino)phenyl]azo]benzenesulphonic acid,4-hydroxy-3-{[2-methoxy-4-(methylamino)phenyl]diazenyl}benzenesulfonic acid,COc2cc(ccc2N=Nc1cc(ccc1O)S(O)(=O)=O)NC,COc2cc(ccc2N=Nc1cc(ccc1O)S(O)(=O)=O)NC,"InChI=1/C14H15N3O5S/c1-15-9-3-5-11(14(7-9)22-2)16-17-12-8-10(23(19,20)21)4-6-13(12)18/h3-8,15,18H,1-2H3,(H,19,20,21)",C14H15N3O5S,,,,,,PHDPCJSXHZUANI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.190,289-341-6,87750-50-3,1-(phenylsulphonyl)-4-(trifluoromethoxy)benzene,1-(phenylsulfonyl)-4-(trifluoromethoxy)benzene,FC(F)(F)Oc1ccc(cc1)S(=O)(=O)c2ccccc2,FC(F)(F)Oc1ccc(cc1)S(=O)(=O)c2ccccc2,"InChI=1/C13H9F3O3S/c14-13(15,16)19-10-6-8-12(9-7-10)20(17,18)11-4-2-1-3-5-11/h1-9H",C13H9F3O3S,,,,,,LQTPOHOWUNBYEE-UHFFFAOYSA-N,,,,,,,,,,,
100.081.191,289-342-1,87750-58-1,"3,4'-difluoro-4-methoxybenzophenone",(3-fluoro-4-methoxyphenyl)(4-fluorophenyl)methanone,COc1ccc(cc1F)C(=O)c2ccc(F)cc2,COc1ccc(cc1F)C(=O)c2ccc(F)cc2,"InChI=1/C14H10F2O2/c1-18-13-7-4-10(8-12(13)16)14(17)9-2-5-11(15)6-3-9/h2-8H,1H3",C14H10F2O2,,,,,,XQAQWLSKVIKOHM-UHFFFAOYSA-N,,,,,,,,,,,
100.081.194,289-345-8,87750-61-6,"2-chloro-4,4'-difluorobenzophenone",(2-chloro-4-fluorophenyl)(4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)c2ccc(F)cc2Cl,Fc1ccc(cc1)C(=O)c2ccc(F)cc2Cl,InChI=1/C13H7ClF2O/c14-12-7-10(16)5-6-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H,C13H7ClF2O,,,,,,XQFWXPFVJXIPIH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.195,289-346-3,87784-12-1,Ofornine,N-[2-(piperidin-1-ylcarbonyl)phenyl]pyridin-4-amine,O=C(N1CCCCC1)c2ccccc2Nc3ccncc3,O=C(N1CCCCC1)c2ccccc2Nc3ccncc3,"InChI=1/C17H19N3O/c21-17(20-12-4-1-5-13-20)15-6-2-3-7-16(15)19-14-8-10-18-11-9-14/h2-3,6-11H,1,4-5,12-13H2,(H,18,19)",C17H19N3O,,,,,,YMODINPJYNHPTM-UHFFFAOYSA-N,,,,,,,,,,,
100.081.196,289-347-9,87787-49-3,m-[(p-fluorophenyl)sulphonyl]toluene,1-[(4-fluorophenyl)sulfonyl]-3-methylbenzene,Cc1cccc(c1)S(=O)(=O)c2ccc(F)cc2,Cc1cccc(c1)S(=O)(=O)c2ccc(F)cc2,"InChI=1/C13H11FO2S/c1-10-3-2-4-13(9-10)17(15,16)12-7-5-11(14)6-8-12/h2-9H,1H3",C13H11FO2S,,,,,,OTJNJSHIASASQC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.200,289-352-6,87848-97-3,"6-[2-(p-tolyl)-1,3-dioxolan-2-yl]pyridine-2-carbaldehyde","6-[2-(4-methylphenyl)-1,3-dioxolan-2-yl]pyridine-2-carbaldehyde",Cc1ccc(cc1)C2(OCCO2)c3cccc(C=O)n3,Cc1ccc(cc1)C2(OCCO2)c3cccc(C=O)n3,"InChI=1/C16H15NO3/c1-12-5-7-13(8-6-12)16(19-9-10-20-16)15-4-2-3-14(11-18)17-15/h2-8,11H,9-10H2,1H3",C16H15NO3,,,,,,NZHAUOLVIWXXBC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.202,289-354-7,87865-18-7,"Hydroxytrimethoxy-2H-pyrano[2,3,4-kl]xanthen-2-one","1-hydroxy-4,5,6-trimethoxy-2H-pyrano[2,3,4-kl]xanthen-2-one",COc1c(OC)c2OC(=O)C(=C3c4ccccc4Oc(c1OC)c23)O,COc1c(OC)c2OC(=O)C(=C3c4ccccc4Oc(c1OC)c23)O,"InChI=1/C18H14O7/c1-21-15-13-11-10(8-6-4-5-7-9(8)24-13)12(19)18(20)25-14(11)16(22-2)17(15)23-3/h4-7,19H,1-3H3",C18H14O7,,,,,,UDVCFIVLXUCLAF-UHFFFAOYSA-N,,,,,,,,,,,
100.084.214,292-669-2,90680-34-5,"4-[(4-aminophenyl)methyl]-2,6-diisopropylaniline","4-(4-aminobenzyl)-2,6-diisopropylaniline",CC(C)c1cc(Cc2ccc(N)cc2)cc(C(C)C)c1N,CC(C)c1cc(Cc2ccc(N)cc2)cc(C(C)C)c1N,"InChI=1/C19H26N2/c1-12(2)17-10-15(11-18(13(3)4)19(17)21)9-14-5-7-16(20)8-6-14/h5-8,10-13H,9,20-21H2,1-4H3",C19H26N2,,,,,,XMHYNCJWBBKQTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.084.215,292-670-8,90680-42-5,4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexylamine,4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexanamine,CC1CC(CC2CCC(N)CC2)CCC1N,CC1CC(CC2CCC(N)CC2)CCC1N,"InChI=1/C14H28N2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h10-14H,2-9,15-16H2,1H3",C14H28N2,,,,,,CBFPZYGJWADJNC-UHFFFAOYSA-N,,,,,,,,,,,
100.084.216,292-671-3,90680-49-2,3-[(2-aminocyclohexyl)methyl]-4-methylcyclohexylamine,3-[(2-aminocyclohexyl)methyl]-4-methylcyclohexanamine,CC1CCC(N)CC1CC2CCCCC2N,CC1CCC(N)CC1CC2CCCCC2N,"InChI=1/C14H28N2/c1-10-6-7-13(15)9-12(10)8-11-4-2-3-5-14(11)16/h10-14H,2-9,15-16H2,1H3",C14H28N2,,,,,,KYOKINKVOPDHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.090.979,300-123-2,93920-37-7,m-(o-toluidino)phenol sulphate,3-[(2-methylphenyl)amino]phenol sulfate (salt),Cc1ccccc1Nc2cccc(O)c2.OS(=O)(=O)O,Cc1ccccc1Nc2cccc(O)c2.OS(=O)(=O)O,"InChI=1/C13H13NO.H2O4S/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11;1-5(2,3)4/h2-9,14-15H,1H3;(H2,1,2,3,4)",C13H13NO.xH2O4S,,,,,,UPPOYKVRYYAJIK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.982,300-126-9,93920-40-2,"2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","2,5-dichloro-4-{4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O,OS(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccccc2Cl)C3=O,"InChI=1/C16H11Cl3N4O4S/c1-8-15(21-20-12-5-3-2-4-9(12)17)16(24)23(22-8)13-6-11(19)14(7-10(13)18)28(25,26)27/h2-7,15H,1H3,(H,25,26,27)",C16H11Cl3N4O4S,,,,,,MLABKJBGEAOKTC-UHFFFAOYSA-N,,,,,,,,,,,
100.090.998,300-144-7,93922-68-0,Octadecyl hexadecenoate,octadecyl hexadec-2-enoate,CCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h30,32H,3-29,31,33H2,1-2H3",C34H66O2,,,,,,RPFFETLYGXKAFP-UHFFFAOYSA-N,,,,,,,,,,,
100.090.999,300-145-2,93923-57-0,2-(4-amino-3-nitrobenzoyl)benzoic acid,2-(4-amino-3-nitrobenzoyl)benzoic acid,Nc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2C(=O)O,Nc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2C(=O)O,"InChI=1/C14H10N2O5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,15H2,(H,18,19)",C14H10N2O5,,,,,,NYGUWSCZBSDNCA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.402,300-588-1,93942-36-0,"(2,3-dichlorophenyl)lithium","(2,3-dichlorophenyl)lithium",[Li]c1cccc(Cl)c1Cl,[Li]c1cccc(Cl)c1Cl,InChI=1/C6H3Cl2.Li/c7-5-3-1-2-4-6(5)8;/h1-3H;/rC6H3Cl2Li/c7-4-2-1-3-5(9)6(4)8/h1-3H,C6H3Cl2Li,,,,,,KRUPCNRBIXNVAK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.404,300-590-2,93942-38-2,Triphenyl[2-(pyrrolidin-2-yl)ethyl]phosphonium bromide,triphenyl(2-pyrrolidin-2-ylethyl)phosphonium bromide,[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C4CCCN4,[Br-].C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C4CCCN4,"InChI=1/C24H27NP.BrH/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-18-21-11-10-19-25-21;/h1-9,12-17,21,25H,10-11,18-20H2;1H/q+1;/p-1",C24H27NP.Br,,,,,,GVSWDRBHXIUTAG-UHFFFAOYSA-M,,,,,,,,,,,
100.091.411,300-598-6,93942-45-1,"1,3,5-tri(2-ethylhexyl)hexahydro-1,3,5-triazine","1,3,5-tris(2-ethylhexyl)-1,3,5-triazinane",CCCCC(CC)CN1CN(CC(CC)CCCC)CN(CC(CC)CCCC)C1,CCCCC(CC)CN1CN(CC(CC)CCCC)CN(CC(CC)CCCC)C1,"InChI=1/C27H57N3/c1-7-13-16-25(10-4)19-28-22-29(20-26(11-5)17-14-8-2)24-30(23-28)21-27(12-6)18-15-9-3/h25-27H,7-24H2,1-6H3",C27H57N3,,,,,,IOOQZUUFSICDQX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.420,300-607-3,93942-54-2,"ß-methyl-a,a-diphenylpiperidine-1-butyronitrile monohydrobromide","3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile hydrobromide",Br.CC(CN1CCCCC1)C(C#N)(c2ccccc2)c3ccccc3,Br.CC(CN1CCCCC1)C(C#N)(c2ccccc2)c3ccccc3,"InChI=1/C22H26N2.BrH/c1-19(17-24-15-9-4-10-16-24)22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21;/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3;1H",C22H26N2.BrH,,,,,,WLAKYNHCKSBYML-UHFFFAOYSA-N,,,,,,,,,,,
100.091.430,300-618-3,93942-64-4,"2-[[6-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1-sulphonic acid","2-{[6-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfo-2-naphthyl]diazenyl}naphthalene-1-sulfonic acid",Clc6nc(Nc3cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c4cc3)S(O)(=O)=O)nc(Nc5cccc(c5)S(O)(=O)=O)n6,Clc6nc(Nc3cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c4cc3)S(O)(=O)=O)nc(Nc5cccc(c5)S(O)(=O)=O)n6,"InChI=1/C29H20ClN7O10S3/c30-27-33-28(31-17-5-3-6-19(14-17)48(39,40)41)35-29(34-27)32-18-9-10-20-16(12-18)13-23(49(42,43)44)24(25(20)38)37-36-22-11-8-15-4-1-2-7-21(15)26(22)50(45,46)47/h1-14,38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,31,32,33,34,35)",C29H20ClN7O10S3,,,,,,RTMINIWFYHCJQI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.744,302-065-3,94088-64-9,Cyclohexyl [4-[2-morpholinoethoxy]phenyl]carbamate monohydrochloride,cyclohexyl [4-(2-morpholin-4-ylethoxy)phenyl]carbamate hydrochloride,Cl.O=C(Nc1ccc(OCCN2CCOCC2)cc1)OC3CCCCC3,Cl.O=C(Nc1ccc(OCCN2CCOCC2)cc1)OC3CCCCC3,"InChI=1/C19H28N2O4.ClH/c22-19(25-18-4-2-1-3-5-18)20-16-6-8-17(9-7-16)24-15-12-21-10-13-23-14-11-21;/h6-9,18H,1-5,10-15H2,(H,20,22);1H",C19H28N2O4.ClH,,,,,,JGQKZMFKXLKHAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.746,302-067-4,94088-66-1,"6,8-diiodo-4-oxo-4H-1-benzopyran-2-carboxylic acid","6,8-diiodo-4-oxo-4H-chromene-2-carboxylic acid",OC(=O)C1=CC(=O)c2cc(I)cc(I)c2O1,OC(=O)C1=CC(=O)c2cc(I)cc(I)c2O1,"InChI=1/C10H4I2O4/c11-4-1-5-7(13)3-8(10(14)15)16-9(5)6(12)2-4/h1-3H,(H,14,15)",C10H4I2O4,,,,,,KJAMDAFCHSFWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.749,302-071-6,94088-69-4,N-(4-amino-2-chloro-5-phenoxyphenyl)acetamide,N-(4-amino-2-chloro-5-phenoxyphenyl)acetamide,CC(=O)Nc1cc(Oc2ccccc2)c(N)cc1Cl,CC(=O)Nc1cc(Oc2ccccc2)c(N)cc1Cl,"InChI=1/C14H13ClN2O2/c1-9(18)17-13-8-14(12(16)7-11(13)15)19-10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)",C14H13ClN2O2,,,,,,ZLHSHNFQIFTFJK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.501,300-696-9,93962-60-8,"2-[[2,5-dimethoxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-N-[2,5-dimethoxy-4-(sulphooxy)phenyl]-3-oxobutyramide, sodium salt",-,[Na+].COc2cc(NC(=O)C(N=Nc1cc(OC)c(cc1OC)S(=O)(=O)CCOS(O)(=O)=O)C(C)=O)c(cc2OS(O)(=O)=O)OC,[Na+].COc2cc(NC(=O)C(N=Nc1cc(OC)c(cc1OC)S(=O)(=O)CCOS(O)(=O)=O)C(C)=O)c(cc2OS(O)(=O)=O)OC,"InChI=1/C22H27N3O16S3.Na/c1-12(26)21(22(27)23-13-8-17(38-4)18(10-15(13)36-2)41-44(33,34)35)25-24-14-9-19(39-5)20(11-16(14)37-3)42(28,29)7-6-40-43(30,31)32;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);/q;+1",C22H27N3O16S3.xNa,,,,,,NIBZBGNFUYDGRC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.504,300-700-9,93962-63-1,"a,a-diphenylpiperidine-1-butyronitrile monohydrobromide","2,2-diphenyl-4-piperidin-1-ylbutanenitrile hydrobromide",Br.N#CC(CCN1CCCCC1)(c2ccccc2)c3ccccc3,Br.N#CC(CCN1CCCCC1)(c2ccccc2)c3ccccc3,"InChI=1/C21H24N2.BrH/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13H,3,8-9,14-17H2;1H",C21H24N2.BrH,,,,,,JVGBFVXICOAWBP-UHFFFAOYSA-N,,,,,,,,,,,
100.091.506,300-703-5,93962-65-3,"6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran-4-ol",6-chloro-2-(4-chlorophenyl)chroman-4-ol,OC1CC(Oc2ccc(Cl)cc12)c3ccc(Cl)cc3,OC1CC(Oc2ccc(Cl)cc12)c3ccc(Cl)cc3,"InChI=1/C15H12Cl2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,13,15,18H,8H2",C15H12Cl2O2,,,,,,HJRISVMHODKYKM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.507,300-704-0,93962-66-4,"1-(3-bromopropyl)-2,4-dichlorobenzene","1-(3-bromopropyl)-2,4-dichlorobenzene",Clc1ccc(CCCBr)c(Cl)c1,Clc1ccc(CCCBr)c(Cl)c1,"InChI=1/C9H9BrCl2/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6H,1-2,5H2",C9H9BrCl2,,,,,,CSYYXSGFVDABMR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.514,300-711-9,93962-73-3,3-hydroxy-1-methylpropyl salicylate,3-hydroxy-1-methylpropyl salicylate,CC(CCO)OC(=O)c1ccccc1O,CC(CCO)OC(=O)c1ccccc1O,"InChI=1/C11H14O4/c1-8(6-7-12)15-11(14)9-4-2-3-5-10(9)13/h2-5,8,12-13H,6-7H2,1H3",C11H14O4,,,,,,JJQLRJLJGKELCO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.515,300-712-4,93962-74-4,(2-cyanopropyl)ethyl(2-ethylhexyl)sulphonium benzenesulphonate,(2-cyanopropyl)(ethyl)(2-ethylhexyl)sulfonium benzenesulfonate,CCCCC(CC)C[S+](CC)CC(C)C#N.[O-]S(=O)(=O)c1ccccc1,CCCCC(CC)C[S+](CC)CC(C)C#N.[O-]S(=O)(=O)c1ccccc1,"InChI=1/C14H28NS.C6H6O3S/c1-5-8-9-14(6-2)12-16(7-3)11-13(4)10-15;7-10(8,9)6-4-2-1-3-5-6/h13-14H,5-9,11-12H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1",C14H28NS.C6H5O3S,,,,,,JUHAAEMBHBXZGX-UHFFFAOYSA-M,,,,,,,,,,,
100.091.517,300-715-0,93962-76-6,2-ethyl-N-[3-(1H-imidazol-1-yl)propyl]hexanamide,2-ethyl-N-[3-(1H-imidazol-1-yl)propyl]hexanamide,CCCCC(CC)C(=O)NCCCn1ccnc1,CCCCC(CC)C(=O)NCCCn1ccnc1,"InChI=1/C14H25N3O/c1-3-5-7-13(4-2)14(18)16-8-6-10-17-11-9-15-12-17/h9,11-13H,3-8,10H2,1-2H3,(H,16,18)",C14H25N3O,,,,,,NPSRAWALWBFKEK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.534,300-733-9,93962-95-9,N-(2-aminoethyl)-N'-(2-ethylhexyl)ethylenediamine,"N-(2-aminoethyl)-N'-(2-ethylhexyl)ethane-1,2-diamine",CCCCC(CC)CNCCNCCN,CCCCC(CC)CNCCNCCN,"InChI=1/C12H29N3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12,14-15H,3-11,13H2,1-2H3",C12H29N3,,,,,,CEZLLTCGOGRYHF-UHFFFAOYSA-N,,,,,,,,,,,
100.092.408,301-695-6,94030-90-7,Sodium 4-(dodecyloxy)benzenesulphonate,sodium 4-(dodecyloxy)benzenesulfonate,[Na+].CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C18H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-14-18(15-13-17)23(19,20)21;/h12-15H,2-11,16H2,1H3,(H,19,20,21);/q;+1/p-1",C18H30O4S.Na,,,,,,QKDUCELGAVTWTI-UHFFFAOYSA-M,,,,,,,,,,,
100.092.412,301-699-8,94030-94-1,"6,7-dihydro-1,2-diphenyl-5H-pyrazolo[5,1-b][1,3]oxazinium chloride","1,2-diphenyl-1,5,6,7-tetrahydropyrazolo[5,1-b][1,3]oxazin-8-ium chloride",[Cl-].C1COc2cc(c3ccccc3)n(c4ccccc4)[n+]2C1,[Cl-].C1COc2cc(c3ccccc3)n(c4ccccc4)[n+]2C1,"InChI=1/C18H17N2O.ClH/c1-3-8-15(9-4-1)17-14-18-19(12-7-13-21-18)20(17)16-10-5-2-6-11-16;/h1-6,8-11,14H,7,12-13H2;1H/q+1;/p-1",C18H17N2O.Cl,,,,,,VZPZPTFONLHLSW-UHFFFAOYSA-M,,,,,,,,,,,
100.092.415,301-702-2,94030-97-4,"2-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione","2-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione",CN1C(CN2C(=O)c3ccccc3C2=O)CN=C(c4ccccc4)c5ccc(F)cc15,CN1C(CN2C(=O)c3ccccc3C2=O)CN=C(c4ccccc4)c5ccc(F)cc15,"InChI=1/C25H20FN3O2/c1-28-18(15-29-24(30)19-9-5-6-10-20(19)25(29)31)14-27-23(16-7-3-2-4-8-16)21-12-11-17(26)13-22(21)28/h2-13,18H,14-15H2,1H3",C25H20FN3O2,,,,,,QTTOVYJPLUFODL-UHFFFAOYSA-N,,,,,,,,,,,
100.092.418,301-705-9,94031-01-3,Tris[[(2-aminoethyl)amino]methyl]phenol,"2,3,4-tris{[(2-aminoethyl)amino]methyl}phenol",NCCNCc1ccc(O)c(CNCCN)c1CNCCN,NCCNCc1ccc(O)c(CNCCN)c1CNCCN,"InChI=1/C15H30N6O/c16-3-6-19-9-12-1-2-15(22)14(11-21-8-5-18)13(12)10-20-7-4-17/h1-2,19-22H,3-11,16-18H2",C15H30N6O,,,,,,AXCKGFZSFFLPCP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.426,301-714-8,94031-10-4,"2-benzyldimethyl-1,3,6-trioxocane","2-benzyl-2,4-dimethyl-1,3,6-trioxocane",CC1COCCOC(C)(Cc2ccccc2)O1,CC1COCCOC(C)(Cc2ccccc2)O1,"InChI=1/C14H20O3/c1-12-11-15-8-9-16-14(2,17-12)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3",C14H20O3,,,,,,ACVDLWXRXPUURG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.428,301-716-9,94031-12-6,"6,11-dihydro-6,11-dioxo-1H-anthra[1,2-d]triazolesulphonic acid","6,11-dioxo-6,11-dihydro-1H-anthra[1,2-d][1,2,3]triazole-4-sulfonic acid",OS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c4[nH]nnc14,OS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c4[nH]nnc14,"InChI=1/C14H7N3O5S/c18-13-6-3-1-2-4-7(6)14(19)10-8(13)5-9(23(20,21)22)11-12(10)16-17-15-11/h1-5H,(H,15,16,17)(H,20,21,22)",C14H7N3O5S,,,,,,YDCWBUDKVKLHLT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.434,301-723-7,94031-18-2,D-glucitol mono(12-hydroxystearate),1-O-(12-hydroxyoctadecanoyl)-D-glucitol,CCCCCCC(O)CCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCC(O)CCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C24H48O8/c1-2-3-4-11-14-19(26)15-12-9-7-5-6-8-10-13-16-22(29)32-18-21(28)24(31)23(30)20(27)17-25/h19-21,23-28,30-31H,2-18H2,1H3",C24H48O8,,,,,,IGIPFDRIGNFVLG-GYCSINLISA-N,,,,,,,,,,,
100.078.931,286-854-7,85391-97-5,4-[(benzyl)amino]butyramide,4-(benzylamino)butanamide,NC(=O)CCCNCc1ccccc1,NC(=O)CCCNCc1ccccc1,"InChI=1/C11H16N2O/c12-11(14)7-4-8-13-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H2,12,14)",C11H16N2O,,,,,,BSVWDTBXKSAPGF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.933,286-856-8,85391-99-7,2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid,acetamido{[5-(benzyloxy)-1H-indol-3-yl]methyl}malonic acid,CC(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)(C(=O)O)C(=O)O,CC(=O)NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)(C(=O)O)C(=O)O,"InChI=1/C21H20N2O6/c1-13(24)23-21(19(25)26,20(27)28)10-15-11-22-18-8-7-16(9-17(15)18)29-12-14-5-3-2-4-6-14/h2-9,11,22H,10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)",C21H20N2O6,,,,,,NVXJPXIZOAASQU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.935,286-858-9,85392-01-4,Methyl 4-chloro-2-(chlorosulphonyl)benzoate,methyl 4-chloro-2-(chlorosulfonyl)benzoate,COC(=O)c1ccc(Cl)cc1S(=O)(=O)Cl,COC(=O)c1ccc(Cl)cc1S(=O)(=O)Cl,"InChI=1/C8H6Cl2O4S/c1-14-8(11)6-3-2-5(9)4-7(6)15(10,12)13/h2-4H,1H3",C8H6Cl2O4S,,,,,,AKVPERSFJZUJKD-UHFFFAOYSA-N,,,,,,,,,,,
100.078.939,286-863-6,85392-05-8,1-butyl-5-carboxypentyl 5-decenoate,6-(dec-5-enoyloxy)decanoic acid,OC(=O)CCCCC(OC(=O)CCCC=CCCCC)CCCC,OC(=O)CCCCC(OC(=O)CCCC=CCCCC)CCCC,"InChI=1/C20H36O4/c1-3-5-7-8-9-10-11-17-20(23)24-18(14-6-4-2)15-12-13-16-19(21)22/h8-9,18H,3-7,10-17H2,1-2H3,(H,21,22)",C20H36O4,,,,,,OKPRNPZBHHJXBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.946,286-870-4,85392-13-8,Ethyl 2-cyano-2-ethyl-3-methylhex-3-enoate,ethyl 2-cyano-2-ethyl-3-methylhex-3-enoate,CCOC(=O)C(C#N)(CC)C(C)=CCC,CCOC(=O)C(C#N)(CC)C(C)=CCC,"InChI=1/C12H19NO2/c1-5-8-10(4)12(6-2,9-13)11(14)15-7-3/h8H,5-7H2,1-4H3",C12H19NO2,,,,,,WGRSGSSXYRCXSF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.948,286-873-0,85392-15-0,"3,5-dichloro-4-[[4-[[2-(diethylamino)-4-phenylthiazol-5-yl]azo]-2,5-dimethoxyphenyl]azo]benzonitrile","3,5-dichloro-4-[(4-{[2-(diethylamino)-4-phenyl-1,3-thiazol-5-yl]diazenyl}-2,5-dimethoxyphenyl)diazenyl]benzonitrile",CCN(CC)c4nc(c1ccccc1)c(N=Nc3cc(OC)c(N=Nc2c(Cl)cc(C#N)cc2Cl)cc3OC)s4,CCN(CC)c4nc(c1ccccc1)c(N=Nc3cc(OC)c(N=Nc2c(Cl)cc(C#N)cc2Cl)cc3OC)s4,"InChI=1/C28H25Cl2N7O2S/c1-5-37(6-2)28-32-25(18-10-8-7-9-11-18)27(40-28)36-34-22-15-23(38-3)21(14-24(22)39-4)33-35-26-19(29)12-17(16-31)13-20(26)30/h7-15H,5-6H2,1-4H3",C28H25Cl2N7O2S,,,,,,OGZYKGDEWBLSPP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.950,286-875-1,85392-17-2,"2-[ethyl[3-methyl-4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethanol","2-(ethyl{3-methyl-4-[(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl}amino)ethanol",CCN(CCO)c3ccc(N=Nc1snc2ccc(cc12)[N+]([O-])=O)c(C)c3,CCN(CCO)c3ccc(N=Nc1snc2ccc(cc12)[N+]([O-])=O)c(C)c3,"InChI=1/C18H19N5O3S/c1-3-22(8-9-24)13-4-6-16(12(2)10-13)19-20-18-15-11-14(23(25)26)5-7-17(15)21-27-18/h4-7,10-11,24H,3,8-9H2,1-2H3",C18H19N5O3S,,,,,,CEYYUMLIVMNONK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.952,286-877-2,85392-19-4,"[2-[(2-hydroxyethyl)[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)azo]phenyl]amino]ethyl] acetate","2-[(2-hydroxyethyl){4-[(5-phenyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate",CC(=O)OCCN(CCO)c1ccc(cc1)N=Nc2nnc(s2)c3ccccc3,CC(=O)OCCN(CCO)c1ccc(cc1)N=Nc2nnc(s2)c3ccccc3,"InChI=1/C20H21N5O3S/c1-15(27)28-14-12-25(11-13-26)18-9-7-17(8-10-18)21-23-20-24-22-19(29-20)16-5-3-2-4-6-16/h2-10,26H,11-14H2,1H3",C20H21N5O3S,,,,,,SSYUIPJGDIXZQB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.968,286-895-0,85392-36-5,2-(bicyclo[2.2.1]hept-2-ylmethylene)butyraldehyde,2-(bicyclo[2.2.1]hept-2-ylmethylene)butanal,O=CC(=CC2CC1CCC2C1)CC,O=CC(=CC2CC1CCC2C1)CC,"InChI=1/C12H18O/c1-2-9(8-13)5-12-7-10-3-4-11(12)6-10/h5,8,10-12H,2-4,6-7H2,1H3",C12H18O,,,,,,PVGOZETXXKMBJK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.538,300-738-6,93962-99-3,"Dipotassium 5,5'-dibromo-4,4'-dichloro[2,2'-bi-1H-indole]-3,3'-diyl disulphate","dipotassium 5,5'-dibromo-4,4'-dichloro-2,2'-biindole-3,3'-diyl disulfate",[K+].[K+].[O-]S(=O)(=O)OC1=C2C(=C(Br)C=CC2=NC1=C3N=C4C=CC(=C(Cl)C4=C3OS(=O)(=O)[O-])Br)Cl,[K+].[K+].[O-]S(=O)(=O)OC1=C2C(=C(Br)C=CC2=NC1=C3N=C4C=CC(=C(Cl)C4=C3OS(=O)(=O)[O-])Br)Cl,"InChI=1/C16H6Br2Cl2N2O8S2.2K/c17-5-1-3-7-9(11(5)19)15(29-31(23,24)25)13(21-7)14-16(30-32(26,27)28)10-8(22-14)4-2-6(18)12(10)20;;/h1-4H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C16H8Br2Cl2N2O8S2.2K,,,,,,ITIDBNOKUPJLIL-UHFFFAOYSA-L,,,,,,,,,,,
100.091.539,300-739-1,93963-00-9,"17-isopropylanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione","17-isopropylanthra[2,1,9-mna]benzo[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione",CC(C)c1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9nn(c1c5c24)c6c79,CC(C)c1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9nn(c1c5c24)c6c79,"InChI=1/C34H20N2O2/c1-16(2)25-15-26-17-7-3-5-9-21(17)33(37)23-13-11-18-20-12-14-24-29-30(19-8-4-6-10-22(19)34(24)38)35-36(31(20)29)32(25)28(18)27(23)26/h3-16H,1-2H3",C34H20N2O2,,,,,,YEZSZKXTCCZSHW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.581,287-570-6,85536-83-0,2-chloro-a-(nitromethyl)benzyl alcohol,1-(2-chlorophenyl)-2-nitroethanol,OC(C[N+](=O)[O-])c1ccccc1Cl,OC(C[N+](=O)[O-])c1ccccc1Cl,"InChI=1/C8H8ClNO3/c9-7-4-2-1-3-6(7)8(11)5-10(12)13/h1-4,8,11H,5H2",C8H8ClNO3,,,,,,NSILZMQANUEUBT-UHFFFAOYSA-N,,,,,,,,,,,
100.079.593,287-583-7,85536-95-4,Sodium m-[[4-[[4-[(2-cyanoethyl)ethylamino]-o-tolyl]azo]-1-naphthyl]azo]benzenesulphonate,sodium 3-{[4-({4-[(2-cyanoethyl)(ethyl)amino]-2-methylphenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonate,[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2ccc(cc2C)N(CC)CCC#N)c3ccccc34,[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2ccc(cc2C)N(CC)CCC#N)c3ccccc34,"InChI=1/C28H26N6O3S.Na/c1-3-34(17-7-16-29)22-12-13-26(20(2)18-22)31-33-28-15-14-27(24-10-4-5-11-25(24)28)32-30-21-8-6-9-23(19-21)38(35,36)37;/h4-6,8-15,18-19H,3,7,17H2,1-2H3,(H,35,36,37);/q;+1/p-1",C28H26N6O3S.Na,,,,,,JXCQTCDWVDTADM-UHFFFAOYSA-M,,,,,,,,,,,
100.079.594,287-584-2,85536-96-5,"Sodium 4-[[4-[[1-[[(2,4-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]azo]benzenesulphonate","sodium 4-{[4-({1-[(2,4-dimethoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)phenyl]diazenyl}benzenesulfonate",[Na+].COc3cc(ccc3NC(=O)C(N=Nc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2)C(C)=O)OC,[Na+].COc3cc(ccc3NC(=O)C(N=Nc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2)C(C)=O)OC,"InChI=1/C24H23N5O7S.Na/c1-15(30)23(24(31)25-21-13-10-19(35-2)14-22(21)36-3)29-28-17-6-4-16(5-7-17)26-27-18-8-11-20(12-9-18)37(32,33)34;/h4-14,23H,1-3H3,(H,25,31)(H,32,33,34);/q;+1/p-1",C24H23N5O7S.Na,,,,,,JFFMNYQSRWUVLH-UHFFFAOYSA-M,,,,,,,,,,,
100.079.606,287-597-3,85554-65-0,"(2E,6Z)-octa-2,6-dienyl acetate","octa-2,6-dien-1-yl acetate",C\\C=C/CC\\C=C\\COC(=O)C,C\C=C/CC\C=C\COC(=O)C,"InChI=1/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-4,7-8H,5-6,9H2,1-2H3",C10H16O2,,,,,,SEUIMDDDOLIIGD-ODYTWBPASA-N,,,,,,,,,,,
100.079.607,287-598-9,85554-66-1,Ethyl 3-(acetoxy)octanoate,ethyl 3-acetoxyoctanoate,CCCCCC(CC(=O)OCC)OC(=O)C,CCCCCC(CC(=O)OCC)OC(=O)C,"InChI=1/C12H22O4/c1-4-6-7-8-11(16-10(3)13)9-12(14)15-5-2/h11H,4-9H2,1-3H3",C12H22O4,,,,,,AYGKSMFCRAQKPK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.609,287-600-8,85554-68-3,Ethyl 3-hydroxy-3-methyloctanoate,ethyl 3-hydroxy-3-methyloctanoate,CCCCCC(C)(O)CC(=O)OCC,CCCCCC(C)(O)CC(=O)OCC,"InChI=1/C11H22O3/c1-4-6-7-8-11(3,13)9-10(12)14-5-2/h13H,4-9H2,1-3H3",C11H22O3,,,,,,LCKZWDMZQOHLGB-UHFFFAOYSA-N,,,,,,,,,,,
100.079.611,287-602-9,85554-70-7,(Z)-hex-3-enyl 4-oxovalerate,hex-3-en-1-yl 4-oxopentanoate,CC\\C=C/CCOC(=O)CCC(=O)C,CC\C=C/CCOC(=O)CCC(=O)C,"InChI=1/C11H18O3/c1-3-4-5-6-9-14-11(13)8-7-10(2)12/h4-5H,3,6-9H2,1-2H3",C11H18O3,,,,,,WVABNTSULPSDJL-PLNGDYQASA-N,,,,,,,,,,,
100.079.612,287-603-4,85554-71-8,(E)-hex-2-enyl lactate,hex-2-en-1-yl 2-hydroxypropanoate,CCC\\C=C\\COC(=O)C(C)O,CCC\C=C\COC(=O)C(C)O,"InChI=1/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h5-6,8,10H,3-4,7H2,1-2H3",C9H16O3,,,,,,CLRYHPFNHRAPPN-AATRIKPKSA-N,,,,,,,,,,,
100.082.481,290-764-3,90218-85-2,"Benzoic acid, cadmium salt, basic",-,[Cd+2].[O-]C(=O)c1ccccc1,[Cd+2].[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.Cd/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+2/p-1",-,,,,,,SMCKYOLWVHMIQL-UHFFFAOYSA-M,,,,,,,,,,,
100.081.373,289-542-9,89923-51-3,"Disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulphonate","disodium 7-({2-(carbamoylamino)-4-[(2,3-dibromopropanoyl)amino]phenyl}diazenyl)naphthalene-1,3-disulfonate",[Na+].[Na+].BrC(CBr)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(c3)NC(N)=O,[Na+].[Na+].BrC(CBr)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(c3)NC(N)=O,"InChI=1/C20H17Br2N5O8S2.2Na/c21-9-15(22)19(28)24-11-3-4-16(17(7-11)25-20(23)29)27-26-12-2-1-10-5-13(36(30,31)32)8-18(14(10)6-12)37(33,34)35;;/h1-8,15H,9H2,(H,24,28)(H3,23,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C20H17Br2N5O8S2.2Na,,,,,,TTXZUJSNYRJQLZ-UHFFFAOYSA-L,,,,,,,,,,,
100.079.620,287-612-3,85554-79-6,"Adipic acid, compound with N,N'-diphenylguanidine (1:2)","hexanedioic acid - 1,3-diphenylguanidine (1:2)",OC(=O)CCCCC(=O)O.N=C(Nc1ccccc1)Nc2ccccc2.N=C(Nc3ccccc3)Nc4ccccc4,OC(=O)CCCCC(=O)O.N=C(Nc1ccccc1)Nc2ccccc2.N=C(Nc3ccccc3)Nc4ccccc4,"InChI=1/2C13H13N3.C6H10O4/c2*14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;7-5(8)3-1-2-4-6(9)10/h2*1-10H,(H3,14,15,16);1-4H2,(H,7,8)(H,9,10)",C13H13N3.1/2C6H10O4,,,,,,DJBLRNOUWOERKF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.125,289-270-0,86679-33-6,"13-ethyl-17a-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one butyrate","13-ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate (non-preferred name)",CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12CC)C#C,CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12CC)C#C,"InChI=1/C25H34O3/c1-4-7-23(27)28-25(6-3)15-13-22-21-10-8-17-16-18(26)9-11-19(17)20(21)12-14-24(22,25)5-2/h3,16,19-22H,4-5,7-15H2,1-2H3",C25H34O3,,,,,,GPKLGCALNRZIDS-KRTHDRFRSA-N,,,,,,,,,,,
100.081.128,289-273-7,86702-60-5,N-[3-(dodecylamino)propyl]-D-gluconamide,"N-[3-(dodecylamino)propyl]-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C21H44N2O6/c1-2-3-4-5-6-7-8-9-10-11-13-22-14-12-15-23-21(29)20(28)19(27)18(26)17(25)16-24/h17-20,22,24-28H,2-16H2,1H3,(H,23,29)",C21H44N2O6,,,,,,SXMIVKFBYRPWAI-YSTOQKLRSA-N,,,,,,,,,,,
100.084.217,292-672-9,90680-57-2,3-[(2-aminocyclohexyl)methyl]-p-toluidine,3-[(2-aminocyclohexyl)methyl]-4-methylaniline,Cc1ccc(N)cc1CC2CCCCC2N,Cc1ccc(N)cc1CC2CCCCC2N,"InChI=1/C14H22N2/c1-10-6-7-13(15)9-12(10)8-11-4-2-3-5-14(11)16/h6-7,9,11,14H,2-5,8,15-16H2,1H3",C14H22N2,,,,,,BTLXZSMQPLMJPO-UHFFFAOYSA-N,,,,,,,,,,,
100.084.220,292-676-0,90717-17-2,(2-chlorophenyl) (1-hydroxycyclopentyl) ketone,(2-chlorophenyl)(1-hydroxycyclopentyl)methanone,OC1(CCCC1)C(=O)c2ccccc2Cl,OC1(CCCC1)C(=O)c2ccccc2Cl,"InChI=1/C12H13ClO2/c13-10-6-2-1-5-9(10)11(14)12(15)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2",C12H13ClO2,,,,,,OVTPOHDQDJTAEF-UHFFFAOYSA-N,,,,,,,,,,,
100.084.223,292-679-7,90774-69-9,4-(trifluoromethyl)anilinium chloride,4-(trifluoromethyl)anilinium chloride,[Cl-].[NH3+]c1ccc(cc1)C(F)(F)F,[Cl-].[NH3+]c1ccc(cc1)C(F)(F)F,"InChI=1/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H",C7H6F3N.ClH,,,,,,CZGDYZDUMJDQSD-UHFFFAOYSA-N,,,,,,,,,,,
100.079.467,287-444-0,85508-19-6,Bis(2-aminoethyl) (Z)-octadec-9-enyl phosphate,bis(2-aminoethyl) octadec-9-en-1-yl phosphate,NCCOP(=O)(OCCN)OCCCCCCCC/C=C\\CCCCCCCC,NCCOP(=O)(OCCN)OCCCCCCCC/C=C\CCCCCCCC,"InChI=1/C22H47N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-29(25,27-21-18-23)28-22-19-24/h9-10H,2-8,11-24H2,1H3",C22H47N2O4P,,,,,,COXVKGMTQARHPB-KTKRTIGZSA-N,,,,,,,,,,,
100.079.469,287-446-1,85508-21-0,"1,1'-(decane-1,10-diyl)bis[2-amino-1,5-dihydro-4H-imidazol-4-one]","1,1'-decane-1,10-diylbis(2-amino-1,5-dihydro-4H-imidazol-4-one)",NC1=NC(=O)CN1CCCCCCCCCCN2CC(=O)N=C2N,NC1=NC(=O)CN1CCCCCCCCCCN2CC(=O)N=C2N,"InChI=1/C16H28N6O2/c17-15-19-13(23)11-21(15)9-7-5-3-1-2-4-6-8-10-22-12-14(24)20-16(22)18/h1-12H2,(H2,17,19,23)(H2,18,20,24)",C16H28N6O2,,,,,,ULIKHNRXJNYEIK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.471,287-448-2,85508-23-2,"1-(2-hydroxy-1,1-dimethylethyl)butyl butyrate","1-(2-hydroxy-1,1-dimethylethyl)butyl butyrate",CCCC(OC(=O)CCC)C(C)(C)CO,CCCC(OC(=O)CCC)C(C)(C)CO,"InChI=1/C12H24O3/c1-5-7-10(12(3,4)9-13)15-11(14)8-6-2/h10,13H,5-9H2,1-4H3",C12H24O3,,,,,,WQVVAFJBEFSECF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.215,289-368-3,87996-56-3,4'-fluoro-4-trifluoromethoxybenzophenone,(4-fluorophenyl)[4-(trifluoromethoxy)phenyl]methanone,Fc1ccc(cc1)C(=O)c2ccc(OC(F)(F)F)cc2,Fc1ccc(cc1)C(=O)c2ccc(OC(F)(F)F)cc2,"InChI=1/C14H8F4O2/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H",C14H8F4O2,,,,,,IIOBPWBQFJNASE-UHFFFAOYSA-N,,,,,,,,,,,
100.081.220,289-374-6,88092-84-6,Chlorodiethoxytitanium,titanium(3+) chloride diethanolate,CCO[Ti](Cl)OCC,CCO[Ti](Cl)OCC,"InChI=1/2C2H5O.ClH.Ti/c2*1-2-3;;/h2*2H2,1H3;1H;/q2*-1;;+3/p-1/rC4H10ClO2Ti/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3",C4H10ClO2Ti,,,,,,GTTDFMNCRBLPCU-UHFFFAOYSA-M,,,,,,,,,,,
100.081.235,289-390-3,88127-84-8,"9-[2-(2-methoxyethoxy)ethoxy]-9-[3-(oxiranylmethoxy)propyl]-2,5,8,10,13,16-hexaoxa-9-silaheptadecane","9-[2-(2-methoxyethoxy)ethoxy]-9-[3-(oxiran-2-ylmethoxy)propyl]-2,5,8,10,13,16-hexaoxa-9-silaheptadecane",COCCOCCO[Si](CCCOCC1CO1)(OCCOCCOC)OCCOCCOC,COCCOCCO[Si](CCCOCC1CO1)(OCCOCCOC)OCCOCCOC,"InChI=1/C21H44O11Si/c1-22-6-9-25-12-15-30-33(31-16-13-26-10-7-23-2,32-17-14-27-11-8-24-3)18-4-5-28-19-21-20-29-21/h21H,4-20H2,1-3H3",C21H44O11Si,,,,,,BAPRPWHVXHPSHD-UHFFFAOYSA-N,,,,,,,,,,,
100.081.240,289-396-6,88191-39-3,(Z)-(hex-3-enyloxy)toluene,1-(hex-3-en-1-yloxy)-2-methylbenzene,CC\\C=C/CCOc1ccccc1C,CC\C=C/CCOc1ccccc1C,"InChI=1/C13H18O/c1-3-4-5-8-11-14-13-10-7-6-9-12(13)2/h4-7,9-10H,3,8,11H2,1-2H3",C13H18O,,,,,,ALLVTPULWRZUHD-PLNGDYQASA-N,,,,,,,,,,,
100.081.244,289-400-6,88301-91-1,"3,5,6,7-tetrahydro-3,5,5,6,7,7-hexamethyl-s-indacen-1(2H)-one","3,5,5,6,7,7-hexamethyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one",CC1CC(=O)c2cc3c(cc12)C(C)(C)C(C)C3(C)C,CC1CC(=O)c2cc3c(cc12)C(C)(C)C(C)C3(C)C,"InChI=1/C18H24O/c1-10-7-16(19)13-9-15-14(8-12(10)13)17(3,4)11(2)18(15,5)6/h8-11H,7H2,1-6H3",C18H24O,,,,,,WWKFORUUJNAPKB-UHFFFAOYSA-N,,,,,,,,,,,
100.081.245,289-401-1,88329-78-6,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[4-[(1-oxopropyl)amino]anilino]anthracene-2-sulphonate","sodium 1-amino-9,10-dioxo-4-{[4-(propionylamino)phenyl]amino}-9,10-dihydroanthracene-2-sulfonate",[Na+].CCC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,[Na+].CCC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1,"InChI=1/C23H19N3O6S.Na/c1-2-18(27)26-13-9-7-12(8-10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-5-3-4-6-15(14)23(20)29;/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32);/q;+1/p-1",C23H19N3O6S.Na,,,,,,SJHDCKHEJHVACV-UHFFFAOYSA-M,,,,,,,,,,,
100.084.228,292-684-4,90879-06-4,(Z)-2-(3-hexenyloxy)tetrahydro-2H-pyran,2-(hex-3-en-1-yloxy)tetrahydro-2H-pyran,CC\\C=C/CCOC1CCCCO1,CC\C=C/CCOC1CCCCO1,"InChI=1/C11H20O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-4,11H,2,5-10H2,1H3",C11H20O2,,,,,,SHZPEANSFIKVFI-ARJAWSKDSA-N,,,,,,,,,,,
100.084.229,292-686-5,90883-70-8,3-hydroxy-4-[[4-[6-[[2-hydroxy-3-[(methylamino)carbonyl]naphthyl]azo]benzoxazol-2-yl]phenyl]azo]-N-methylnaphthalene-2-carboxamide,"3-hydroxy-4-{[4-(6-{[2-hydroxy-3-(methylcarbamoyl)-1-naphthyl]diazenyl}-1,3-benzoxazol-2-yl)phenyl]diazenyl}-N-methyl-2-naphthamide",CNC(=O)c7cc1ccccc1c(N=Nc2ccc(cc2)c3nc4ccc(cc4o3)N=Nc5c6ccccc6cc(C(=O)NC)c5O)c7O,CNC(=O)c7cc1ccccc1c(N=Nc2ccc(cc2)c3nc4ccc(cc4o3)N=Nc5c6ccccc6cc(C(=O)NC)c5O)c7O,"InChI=1/C37H27N7O5/c1-38-35(47)27-17-21-7-3-5-9-25(21)31(33(27)45)43-41-23-13-11-20(12-14-23)37-40-29-16-15-24(19-30(29)49-37)42-44-32-26-10-6-4-8-22(26)18-28(34(32)46)36(48)39-2/h3-19,45-46H,1-2H3,(H,38,47)(H,39,48)",C37H27N7O5,,,,,,OTDCQYBNBJQWJP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.533,298-533-9,93805-50-6,"Carbonic acid, compound with 4-methylcyclohexane-1,3-diamine (1:1)","carbonic acid - 4-methylcyclohexane-1,3-diamine (1:1)",CC1CCC(N)CC1N.OC(=O)O,CC1CCC(N)CC1N.OC(=O)O,"InChI=1/C7H16N2.CH2O3/c1-5-2-3-6(8)4-7(5)9;2-1(3)4/h5-7H,2-4,8-9H2,1H3;(H2,2,3,4)",C7H16N2.CH2O3,,,,,,VFRAUIJMZNIMHY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.536,298-537-0,93805-53-9,2-isocyanato-4-[(2-isocyanatocyclohexyl)methyl]-1-methylcyclohexane,2-isocyanato-4-[(2-isocyanatocyclohexyl)methyl]-1-methylcyclohexane,CC1CCC(CC2CCCCC2N=C=O)CC1N=C=O,CC1CCC(CC2CCCCC2N=C=O)CC1N=C=O,"InChI=1/C16H24N2O2/c1-12-6-7-13(9-16(12)18-11-20)8-14-4-2-3-5-15(14)17-10-19/h12-16H,2-9H2,1H3",C16H24N2O2,,,,,,LULOWFWXTISEHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.539,298-540-7,93805-56-2,"N,N-dimethyl(nitrobenzyl)amine","N,N-dimethyl-1-(2-nitrophenyl)methanamine",CN(C)Cc1ccccc1[N+](=O)[O-],CN(C)Cc1ccccc1[N+](=O)[O-],"InChI=1/C9H12N2O2/c1-10(2)7-8-5-3-4-6-9(8)11(12)13/h3-6H,7H2,1-2H3",C9H12N2O2,,,,,,FCAMUPIRWKNASD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.556,298-559-0,93805-75-5,"1-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)allyl phenylacetate","1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-yl phenylacetate",CC(OC(=O)Cc1ccccc1)\\C=C\\C2C(=CCCC2(C)C)C,CC(OC(=O)Cc1ccccc1)\C=C\C2C(=CCCC2(C)C)C,"InChI=1/C21H28O2/c1-16-9-8-14-21(3,4)19(16)13-12-17(2)23-20(22)15-18-10-6-5-7-11-18/h5-7,9-13,17,19H,8,14-15H2,1-4H3",C21H28O2,,,,,,JLOVXOSAZQUCOT-OUKQBFOZSA-N,,,,,,,,,,,
100.092.144,301-404-2,94021-11-1,"Trisodium 4-[[4-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium 4-[(4-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-2-sulfonatophenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].Clc1cc(c(Cl)nn1)C(=O)Nc4ccc(N=NC3\\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].Clc1cc(c(Cl)nn1)C(=O)Nc4ccc(N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(c4)S([O-])(=O)=O,"InChI=1/C21H13Cl2N7O10S2.3Na/c22-15-8-12(18(23)28-26-15)19(31)24-9-1-6-13(14(7-9)42(38,39)40)25-27-16-17(21(33)34)29-30(20(16)32)10-2-4-11(5-3-10)41(35,36)37;;;/h1-8,16H,(H,24,31)(H,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3",C21H13Cl2N7O10S2.3Na,,,,,,FTOCPJRXQWSUBX-UHFFFAOYSA-K,,,,,,,,,,,
100.092.149,301-410-5,94021-17-7,"2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulpho-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonic acid","2-{[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonic acid",Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)cc2C)c4cccc(c34)S(O)(=O)=O)nc(Cl)n5,Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)cc2C)c4cccc(c34)S(O)(=O)=O)nc(Cl)n5,"InChI=1/C27H20Cl2N8O9S3/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33)",C27H20Cl2N8O9S3,,,,,,YYMOTGDYOPIKIR-UHFFFAOYSA-N,,,,,,,,,,,
100.092.157,301-418-9,94021-25-7,Tetrapotassium dihydrogen [nitrilotris(methylene)]trisphosphonate,tetrapotassium dihydrogen [nitrilotris(methylene)]tris(phosphonate),[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.4K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-6",C3H12NO9P3.4K,,,,,,HOORPDSJMPHUST-UHFFFAOYSA-H,,,,,,,,,,,
100.092.160,301-422-0,94021-28-0,Hexaammonium [nitrilotris(methylene)]trisphosphonate,hexaammonium [nitrilotris(methylene)]tris(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.6H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);6*1H3",C3H12NO9P3.6H3N,,,,,,FUYQFCQZVFXZBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.439,300-628-8,93942-73-5,N-(2-hydroxyethyl)-1-isopropyl-N-methylcycloheptanecarboxamide,N-(2-hydroxyethyl)-1-isopropyl-N-methylcycloheptanecarboxamide,CC(C)C1(CCCCCC1)C(=O)N(C)CCO,CC(C)C1(CCCCCC1)C(=O)N(C)CCO,"InChI=1/C14H27NO2/c1-12(2)14(8-6-4-5-7-9-14)13(17)15(3)10-11-16/h12,16H,4-11H2,1-3H3",C14H27NO2,,,,,,SIVGWAIMPBVZEW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.440,300-629-3,93942-74-6,N-ethyl-1-(isopropyl)-2-methylcyclohexanecarboxamide,N-ethyl-1-isopropyl-2-methylcyclohexanecarboxamide,CCNC(=O)C1(CCCCC1C)C(C)C,CCNC(=O)C1(CCCCC1C)C(C)C,"InChI=1/C13H25NO/c1-5-14-12(15)13(10(2)3)9-7-6-8-11(13)4/h10-11H,5-9H2,1-4H3,(H,14,15)",C14H27NO,,,,,,BSMQCLSXMDMBAV-UHFFFAOYSA-N,,,,,,,,,,,
100.091.443,300-633-5,93942-77-9,"Sodium 1-ethyl 2-[[3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-p-tolyl]methyl]benzoate","sodium 1-amino-4-({5-[2-(ethoxycarbonyl)benzyl]-2-methylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CCOC(=O)c1ccccc1Cc2ccc(C)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c2,[Na+].CCOC(=O)c1ccccc1Cc2ccc(C)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])c2,"InChI=1/C31H26N2O7S.Na/c1-3-40-31(36)20-9-5-4-8-19(20)14-18-13-12-17(2)23(15-18)33-24-16-25(41(37,38)39)28(32)27-26(24)29(34)21-10-6-7-11-22(21)30(27)35;/h4-13,15-16,33H,3,14,32H2,1-2H3,(H,37,38,39);/q;+1/p-1",C31H26N2O7S.Na,,,,,,XKRHCTVHTPAILO-UHFFFAOYSA-M,,,,,,,,,,,
100.091.556,300-758-5,93963-17-8,"2,2'-[piperazine-1,4-diylbis(thio)]bisbenzothiazole","2,2'-(piperazine-1,4-diyldisulfanediyl)bis(1,3-benzothiazole)",C1CN(CCN1Sc2nc3ccccc3s2)Sc4nc5ccccc5s4,C1CN(CCN1Sc2nc3ccccc3s2)Sc4nc5ccccc5s4,"InChI=1/C18H16N4S4/c1-3-7-15-13(5-1)19-17(23-15)25-21-9-11-22(12-10-21)26-18-20-14-6-2-4-8-16(14)24-18/h1-8H,9-12H2",C18H16N4S4,,,,,,ZPRKIYGGPADCPK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.572,300-775-8,93963-33-8,"8-(1,1-dimethylpropyl)-2-methyl-1,4-dioxaspiro[4.5]decane","8-(1,1-dimethylpropyl)-2-methyl-1,4-dioxaspiro[4.5]decane",CCC(C)(C)C1CCC2(CC1)OCC(C)O2,CCC(C)(C)C1CCC2(CC1)OCC(C)O2,"InChI=1/C14H26O2/c1-5-13(3,4)12-6-8-14(9-7-12)15-10-11(2)16-14/h11-12H,5-10H2,1-4H3",C14H26O2,,,,,,NMAGDJUSQTVMCT-UHFFFAOYSA-N,,,,,,,,,,,
100.091.573,300-776-3,93963-34-9,Decahydro-a-methylnaphthalene-1-methanol,1-(decahydronaphthalen-1-yl)ethanol,CC(O)C1CCCC2CCCCC12,CC(O)C1CCCC2CCCCC12,"InChI=1/C12H22O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h9-13H,2-8H2,1H3",C12H22O,,,,,,RWNIDCZYUGZZQU-UHFFFAOYSA-N,,,,,,,,,,,
100.091.577,300-781-0,93963-38-3,1-bicyclo[2.2.1]hept-5-en-2-yl-1-methylethyl formate,1-bicyclo[2.2.1]hept-5-en-2-yl-1-methylethyl formate,CC(C)(OC=O)C1CC2CC1C=C2,CC(C)(OC=O)C1CC2CC1C=C2,"InChI=1/C11H16O2/c1-11(2,13-7-12)10-6-8-3-4-9(10)5-8/h3-4,7-10H,5-6H2,1-2H3",C11H16O2,,,,,,JMHXZINCPAHHJX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.439,301-728-4,94031-23-9,Sucrose trilaurate,"3-O-dodecanoyl-beta-D-fructofuranosyl 2,3-di-O-dodecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,"InChI=1/C48H88O14/c1-4-7-10-13-16-19-22-25-28-31-39(52)58-44-42(55)37(34-49)57-47(45(44)59-40(53)32-29-26-23-20-17-14-11-8-5-2)62-48(36-51)46(43(56)38(35-50)61-48)60-41(54)33-30-27-24-21-18-15-12-9-6-3/h37-38,42-47,49-51,55-56H,4-36H2,1-3H3",C48H88O14,,,,,,WTIYUEMBXCRZEQ-KFURIYDISA-N,,,,,,,,,,,
100.092.441,301-731-0,94042-66-7,"(Z)-N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)propyl]-9-octadecenamide","N-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propyl]octadec-9-enamide",CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCN1C(=O)C=CC1=O,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCN1C(=O)C=CC1=O,"InChI=1/C25H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(28)26-21-17-22-27-24(29)19-20-25(27)30/h9-10,19-20H,2-8,11-18,21-22H2,1H3,(H,26,28)",C25H42N2O3,,,,,,WDGNYSGWEPCUSE-KTKRTIGZSA-N,,,,,,,,,,,
100.092.445,301-735-2,94042-70-3,"4,4'-bis[[4-(3-chloro-2-hydroxypropoxy)phenyl]azo]stilbene-2,2'-disulphonic acid","2,2'-ethene-1,2-diylbis(5-{[4-(3-chloro-2-hydroxypropoxy)phenyl]diazenyl}benzenesulfonic acid)",ClCC(O)COc1ccc(cc1)N=Nc4ccc(/C=C/c2ccc(cc2S(O)(=O)=O)N=Nc3ccc(OCC(O)CCl)cc3)c(c4)S(O)(=O)=O,ClCC(O)COc1ccc(cc1)N=Nc4ccc(/C=C/c2ccc(cc2S(O)(=O)=O)N=Nc3ccc(OCC(O)CCl)cc3)c(c4)S(O)(=O)=O,"InChI=1/C32H30Cl2N4O10S2/c33-17-27(39)19-47-29-11-7-23(8-12-29)35-37-25-5-3-21(31(15-25)49(41,42)43)1-2-22-4-6-26(16-32(22)50(44,45)46)38-36-24-9-13-30(14-10-24)48-20-28(40)18-34/h1-16,27-28,39-40H,17-20H2,(H,41,42,43)(H,44,45,46)",C32H30Cl2N4O10S2,,,,,,YKVXKZMMZRLTAE-IXORUJLASA-N,,,,,,,,,,,
100.092.452,301-743-6,94042-77-0,"3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2-carbaldehyde","3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2-carbaldehyde",CC1=CCC2C(C1C=O)C2(C)C,CC1=CCC2C(C1C=O)C2(C)C,"InChI=1/C11H16O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h4,6,8-10H,5H2,1-3H3",C11H16O,,,,,,NBJBBGCJHKDPLO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.455,301-746-2,94042-80-5,Methyl a-mercaptofuran-2-butyrate,methyl 4-(2-furyl)-2-sulfanylbutanoate,COC(=O)C(S)CCc1occc1,COC(=O)C(S)CCc1occc1,"InChI=1/C9H12O3S/c1-11-9(10)8(13)5-4-7-3-2-6-12-7/h2-3,6,8,13H,4-5H2,1H3",C9H12O3S,,,,,,RDYFRAQZXXSAPX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.001,285-831-9,85153-50-0,3-oxo-N-(4-pyridylsulphonyl)butyramide N-oxide,4-[oxido(pyridin-4-ylsulfonyl)amino]-4-oxobutan-2-one,CC(=O)CC(=O)[NH+]([O-])S(=O)(=O)c1ccncc1,CC(=O)CC(=O)[NH+]([O-])S(=O)(=O)c1ccncc1,"InChI=1/C9H10N2O5S/c1-7(12)6-9(13)11(14)17(15,16)8-2-4-10-5-3-8/h2-5,11H,6H2,1H3",C9H10N2O5S,,,,,,JMTZLIRINMJTGV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.004,285-835-0,85153-53-3,"N,N-diethyl-3-oxobutyramide hydrochloride","N,N-diethyl-3-oxobutanamide hydrochloride",Cl.CCN(CC)C(=O)CC(=O)C,Cl.CCN(CC)C(=O)CC(=O)C,"InChI=1/C8H15NO2.ClH/c1-4-9(5-2)8(11)6-7(3)10;/h4-6H2,1-3H3;1H",C8H15NO2.ClH,,,,,,CJCNCCAZYAUMAB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.982,286-910-0,85392-50-3,Sodium 5-methylisoxazole-3-carboxylate,sodium 5-methylisoxazole-3-carboxylate,[Na+].Cc1onc(c1)C(=O)[O-],[Na+].Cc1onc(c1)C(=O)[O-],"InChI=1/C5H5NO3.Na/c1-3-2-4(5(7)8)6-9-3;/h2H,1H3,(H,7,8);/q;+1/p-1",C5H5NO3.Na,,,,,,BQRDHPHTXJYNTE-UHFFFAOYSA-M,,,,,,,,,,,
100.078.985,286-913-7,85392-53-6,"Butyl 2,4-dioxovalerate, monosodium salt",-,[Na+].CCCCOC(=O)C(=O)CC(=O)C,[Na+].CCCCOC(=O)C(=O)CC(=O)C,"InChI=1/C9H14O4.Na/c1-3-4-5-13-9(12)8(11)6-7(2)10;/h3-6H2,1-2H3;/q;+1",C9H13O4.Na,,,,,,RXDZAQIFGJDHBP-UHFFFAOYSA-N,,,,,,,,,,,
100.081.133,289-278-4,86772-44-3,"Ethyl 4-[butyl[4-[[4,5-dicyano-1-(cyanomethyl)-1H-imidazol-2-yl]azo]-m-tolyl]amino]butyrate","ethyl 4-[butyl(4-{[4,5-dicyano-1-(cyanomethyl)-1H-imidazol-2-yl]diazenyl}-3-methylphenyl)amino]butanoate",CCOC(=O)CCCN(CCCC)c2ccc(N=Nc1nc(C#N)c(C#N)n1CC#N)c(C)c2,CCOC(=O)CCCN(CCCC)c2ccc(N=Nc1nc(C#N)c(C#N)n1CC#N)c(C)c2,"InChI=1/C24H28N8O2/c1-4-6-12-31(13-7-8-23(33)34-5-2)19-9-10-20(18(3)15-19)29-30-24-28-21(16-26)22(17-27)32(24)14-11-25/h9-10,15H,4-8,12-14H2,1-3H3",C24H28N8O2,,,,,,CDJUDFWVUDHYBO-UHFFFAOYSA-N,,,,,,,,,,,
100.081.137,289-283-1,86819-57-0,"4'-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","4'-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",Oc1ccc2c(Oc3c(Nc4nc(Cl)nc(Cl)n4)c(O)ccc3C25OC(=O)c6ccccc56)c1,Oc1ccc2c(Oc3c(Nc4nc(Cl)nc(Cl)n4)c(O)ccc3C25OC(=O)c6ccccc56)c1,"InChI=1/C23H12Cl2N4O5/c24-20-27-21(25)29-22(28-20)26-17-15(31)8-7-14-18(17)33-16-9-10(30)5-6-13(16)23(14)12-4-2-1-3-11(12)19(32)34-23/h1-9,30-31H,(H,26,27,28,29)",C23H12Cl2N4O5,,,,,,QXNPUMCGYQBUOF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.141,289-287-3,86914-72-9,"4',5-dichloro-2-hydroxy-3-methylbenzophenone",(5-chloro-2-hydroxy-3-methylphenyl)(4-chlorophenyl)methanone,Cc1cc(Cl)cc(C(=O)c2ccc(Cl)cc2)c1O,Cc1cc(Cl)cc(C(=O)c2ccc(Cl)cc2)c1O,"InChI=1/C14H10Cl2O2/c1-8-6-11(16)7-12(13(8)17)14(18)9-2-4-10(15)5-3-9/h2-7,17H,1H3",C14H10Cl2O2,,,,,,LNAURVNIKFHZNB-UHFFFAOYSA-N,,,,,,,,,,,
100.081.144,289-291-5,86932-92-5,Sodium 2-hydroxyethyl trithiocarbonate,sodium 2-hydroxyethyl trithiocarbonate,[Na+].OCCSC(=S)[S-],[Na+].OCCSC(=S)[S-],"InChI=1/C3H6OS3.Na/c4-1-2-7-3(5)6;/h4H,1-2H2,(H,5,6);/q;+1/p-1",C3H6OS3.Na,,,,,,RTRITVCTUGDQPT-UHFFFAOYSA-M,,,,,,,,,,,
100.081.147,289-294-1,87032-71-1,"a-(aminomethyl)-2,2-dimethyl-1,3-dioxolane-4-methanol","2-amino-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol",CC1(C)OCC(O1)C(O)CN,CC1(C)OCC(O1)C(O)CN,"InChI=1/C7H15NO3/c1-7(2)10-4-6(11-7)5(9)3-8/h5-6,9H,3-4,8H2,1-2H3",C7H15NO3,,,,,,MKDRHMDHWIBVRH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.160,289-308-6,87236-71-3,(8-hydroxyquinolin-7-yl)methyl dibutyldithiocarbamate,(8-hydroxyquinolin-7-yl)methyl dibutyldithiocarbamate,CCCCN(CCCC)C(=S)SCc1ccc2cccnc2c1O,CCCCN(CCCC)C(=S)SCc1ccc2cccnc2c1O,"InChI=1/C19H26N2OS2/c1-3-5-12-21(13-6-4-2)19(23)24-14-16-10-9-15-8-7-11-20-17(15)18(16)22/h7-11,22H,3-6,12-14H2,1-2H3",C19H26N2OS2,,,,,,GHUMBRRHICYOPL-UHFFFAOYSA-N,,,,,,,,,,,
100.081.162,289-310-7,87260-25-1,4-butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate,4-butyl-2-cyanophenyl 4-(4-propylcyclohexyl)benzoate,CCCCc1ccc(OC(=O)c2ccc(cc2)C3CCC(CCC)CC3)c(c1)C#N,CCCCc1ccc(OC(=O)c2ccc(cc2)C3CCC(CCC)CC3)c(c1)C#N,"InChI=1/C27H33NO2/c1-3-5-7-21-10-17-26(25(18-21)19-28)30-27(29)24-15-13-23(14-16-24)22-11-8-20(6-4-2)9-12-22/h10,13-18,20,22H,3-9,11-12H2,1-2H3",C27H33NO2,,,,,,WYTBUBSHICZERC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.393,287-363-0,85480-81-5,"2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dione","2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-methoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",COc1ccc2C(=O)N(C(=O)c3cccc1c23)c4c(C)n[nH]c4C,COc1ccc2C(=O)N(C(=O)c3cccc1c23)c4c(C)n[nH]c4C,"InChI=1/C18H15N3O3/c1-9-16(10(2)20-19-9)21-17(22)12-6-4-5-11-14(24-3)8-7-13(15(11)12)18(21)23/h4-8H,1-3H3,(H,19,20)",C18H15N3O3,,,,,,FYKXTNSLMJWQBE-UHFFFAOYSA-N,,,,,,,,,,,
100.079.399,287-369-3,85480-88-2,Bis[3-(3-amino-3-oxopropyl)-2-[(1-ethyl-2-phenyl-1H-indol-3-yl)azo]benzothiazolium] tetrachlorozincate,"bis{3-(3-amino-3-oxopropyl)-2-[(1-ethyl-2-phenyl-1H-indol-3-yl)diazenyl]-1,3-benzothiazol-3-ium} tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.NC(=O)CC[n+]4c5ccccc5sc4N=Nc3c1ccccc1n(CC)c3c2ccccc2.NC(=O)CC[n+]4c5ccccc5sc4N=Nc3c1ccccc1n(CC)c3c2ccccc2,Cl[Zn-2](Cl)(Cl)Cl.NC(=O)CC[n+]4c5ccccc5sc4N=Nc3c1ccccc1n(CC)c3c2ccccc2.NC(=O)CC[n+]4c5ccccc5sc4N=Nc3c1ccccc1n(CC)c3c2ccccc2,"InChI=1/2C26H23N5OS.4ClH.Zn/c2*1-2-30-20-13-7-6-12-19(20)24(25(30)18-10-4-3-5-11-18)28-29-26-31(17-16-23(27)32)21-14-8-9-15-22(21)33-26;;;;;/h2*3-15H,2,16-17H2,1H3,(H-,27,32);4*1H;/q;;;;;;+2/p-2/r2C26H23N5OS.Cl4Zn/c2*1-2-30-20-13-7-6-12-19(20)24(25(30)18-10-4-3-5-11-18)28-29-26-31(17-16-23(27)32)21-14-8-9-15-22(21)33-26;1-5(2,3)4/h2*3-15H,2,16-17H2,1H3,(H-,27,32);/q;;-2/p+2",C26H24N5OS.1/2Cl4Zn,,,,,,KWJCQWVUNKBHQK-UHFFFAOYSA-L,,,,,,,,,,,
100.079.404,287-375-6,85480-95-1,"1-hexyldodecane-1,12-diyl didocosanoate","octadecane-1,12-diyl didocosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C62H122O4/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-52-57-61(63)65-59-54-49-45-41-37-38-42-46-51-56-60(55-50-12-9-6-3)66-62(64)58-53-48-44-40-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h60H,4-59H2,1-3H3",C62H122O4,,,,,,OYVAGBUQKNBMFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.411,287-382-4,85506-30-5,trans-2-[[[1-(2-aminothiazol-4-yl)-2-[(2-methyl-4-oxo-1-sulphoazetidin-3-yl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropionic acid,"2-[({1-(2-amino-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino]-2-oxoethylidene}amino)oxy]-2-methylpropanoic acid",Nc1nc(cs1)C(=NOC(C)(C)C(O)=O)C(=O)NC2C(=O)N(C2C)S(O)(=O)=O,Nc1nc(cs1)C(=NOC(C)(C)C(O)=O)C(=O)NC2C(=O)N(C2C)S(O)(=O)=O,"InChI=1/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)",C13H17N5O8S2,,,,,,WZPBZJONDBGPKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.084.230,292-687-0,90883-74-2,3-hydroxy-4-[[4-[6-[[2-hydroxy-3-[(methylamino)carbonyl]naphthyl]azo]benzoxazol-2-yl]-2-methylphenyl]azo]-N-methylnaphthalene-2-carboxamide,"3-hydroxy-4-{[4-(6-{[2-hydroxy-3-(methylcarbamoyl)-1-naphthyl]diazenyl}-1,3-benzoxazol-2-yl)-2-methylphenyl]diazenyl}-N-methyl-2-naphthamide",CNC(=O)c7cc1ccccc1c(N=Nc2ccc(cc2C)c3nc4ccc(cc4o3)N=Nc5c6ccccc6cc(C(=O)NC)c5O)c7O,CNC(=O)c7cc1ccccc1c(N=Nc2ccc(cc2C)c3nc4ccc(cc4o3)N=Nc5c6ccccc6cc(C(=O)NC)c5O)c7O,"InChI=1/C38H29N7O5/c1-20-16-23(12-14-29(20)43-45-33-26-11-7-5-9-22(26)18-28(35(33)47)37(49)40-3)38-41-30-15-13-24(19-31(30)50-38)42-44-32-25-10-6-4-8-21(25)17-27(34(32)46)36(48)39-2/h4-19,46-47H,1-3H3,(H,39,48)(H,40,49)",C38H29N7O5,,,,,,HXABXBXQFGDBQR-UHFFFAOYSA-N,,,,,,,,,,,
100.084.236,292-693-3,90961-84-5,"3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",CCCCN1C(=O)C2C(=O)N(CCCC)C(=O)C(C1=O)C2(C)C,CCCCN1C(=O)C2C(=O)N(CCCC)C(=O)C(C1=O)C2(C)C,"InChI=1/C17H26N2O4/c1-5-7-9-18-13(20)11-15(22)19(10-8-6-2)16(23)12(14(18)21)17(11,3)4/h11-12H,5-10H2,1-4H3",C17H26N2O4,,,,,,KXRKLVSWBBGXQW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.250,287-206-6,85423-03-6,2-[(4-aminophenyl)methyl]-6-ethylaniline,2-(4-aminobenzyl)-6-ethylaniline,CCc1cccc(Cc2ccc(N)cc2)c1N,CCc1cccc(Cc2ccc(N)cc2)c1N,"InChI=1/C15H18N2/c1-2-12-4-3-5-13(15(12)17)10-11-6-8-14(16)9-7-11/h3-9H,2,10,16-17H2,1H3",C15H18N2,,,,,,NKPWHKMEUAGMBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.251,287-207-1,85423-04-7,4-[(2-aminophenyl)methyl]-2-ethylaniline,4-(2-aminobenzyl)-2-ethylaniline,CCc1cc(Cc2ccccc2N)ccc1N,CCc1cc(Cc2ccccc2N)ccc1N,"InChI=1/C15H18N2/c1-2-12-9-11(7-8-15(12)17)10-13-5-3-4-6-14(13)16/h3-9H,2,10,16-17H2,1H3",C15H18N2,,,,,,XBAQBQBQYUPROQ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.260,287-217-6,85440-78-4,"3,3-dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride","3,3-dimethylbicyclo[2.2.1]heptane-2-carbonyl chloride",CC1(C)C2CCC(C2)C1C(=O)Cl,CC1(C)C2CCC(C2)C1C(=O)Cl,"InChI=1/C10H15ClO/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3",C10H15ClO,,,,,,MMJZYLSOVDKRTC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.004,289-136-1,86014-89-3,Sodium chlorotoluenesulphonate,sodium 2-chloro-6-methylbenzenesulfonate,[Na+].Cc1cccc(Cl)c1S(=O)(=O)[O-],[Na+].Cc1cccc(Cl)c1S(=O)(=O)[O-],"InChI=1/C7H7ClO3S.Na/c1-5-3-2-4-6(8)7(5)12(9,10)11;/h2-4H,1H3,(H,9,10,11);/q;+1/p-1",C7H7ClO3S.Na,,,,,,XUTJWHZMQWTUGR-UHFFFAOYSA-M,,,,,,,,,,,
100.079.278,287-237-5,85443-45-4,"2'-anilino-3'-chloro-6'-(diethylamino)spiro[isobenzofuran-1[3H],9'-[9H]xanthene]-3-one","2'-anilino-3'-chloro-6'-(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3cc(Cl)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3cc(Cl)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C30H25ClN2O3/c1-3-33(4-2)20-14-15-23-27(16-20)35-28-18-25(31)26(32-19-10-6-5-7-11-19)17-24(28)30(23)22-13-9-8-12-21(22)29(34)36-30/h5-18,32H,3-4H2,1-2H3",C30H25ClN2O3,,,,,,MWQVWKAVNPGBJR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.280,287-239-6,85443-47-6,Disodium 3-hydroxy-4-[(2-hydroxy-4-methyl-5-sulphonatophenyl)methyl]naphthalene-1-sulphonate,disodium 3-hydroxy-4-(2-hydroxy-4-methyl-5-sulfonatobenzyl)naphthalene-1-sulfonate,[Na+].[Na+].Cc1cc(O)c(Cc2c(O)cc(c3ccccc23)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],[Na+].[Na+].Cc1cc(O)c(Cc2c(O)cc(c3ccccc23)S(=O)(=O)[O-])cc1S(=O)(=O)[O-],"InChI=1/C18H16O8S2.2Na/c1-10-6-15(19)11(8-17(10)27(21,22)23)7-14-12-4-2-3-5-13(12)18(9-16(14)20)28(24,25)26;;/h2-6,8-9,19-20H,7H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C18H16O8S2.2Na,,,,,,ZLWSEHJPYPTSTH-UHFFFAOYSA-L,,,,,,,,,,,
100.079.281,287-240-1,85443-48-7,Bencianol,"2-(2,2-diphenyl-1,3-benzodioxol-5-yl)chromane-3,5,7-triol",O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc4OC(Oc4c3)(c5ccccc5)c6ccccc6,O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc4OC(Oc4c3)(c5ccccc5)c6ccccc6,"InChI=1/C28H22O6/c29-20-14-22(30)21-16-23(31)27(32-25(21)15-20)17-11-12-24-26(13-17)34-28(33-24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,23,27,29-31H,16H2",C28H22O6,,,,,,NGJOOUAZHCZCOW-WNCULLNHSA-N,,,,,,,,,,,
100.079.308,287-270-5,85455-35-2,"Trisodium 5-(acetylamino)-4-hydroxy-3-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","trisodium 5-acetamido-4-hydroxy-3-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc3ccc(cc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[Na+].[Na+].[Na+].COc3ccc(cc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C21H21N3O15S4.3Na/c1-11(25)22-16-10-14(41(29,30)31)7-12-8-18(42(32,33)34)20(21(26)19(12)16)24-23-15-9-13(3-4-17(15)38-2)40(27,28)6-5-39-43(35,36)37;;;/h3-4,7-10,26H,5-6H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3",C21H21N3O15S4.3Na,,,,,,QTUKSMDVHAAENL-UHFFFAOYSA-K,,,,,,,,,,,
100.079.312,287-274-7,85455-39-6,Sodium 6-amino-5-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]naphthalene-2-sulphonate,sodium 6-amino-5-({2-[ethyl(phenyl)sulfamoyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c3ccc(cc3ccc2N)S([O-])(=O)=O,[Na+].CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c3ccc(cc3ccc2N)S([O-])(=O)=O,"InChI=1/C24H22N4O5S2.Na/c1-2-28(18-8-4-3-5-9-18)34(29,30)23-11-7-6-10-22(23)26-27-24-20-14-13-19(35(31,32)33)16-17(20)12-15-21(24)25;/h3-16H,2,25H2,1H3,(H,31,32,33);/q;+1/p-1",C24H22N4O5S2.Na,,,,,,SCCMWLVVVYIBNX-UHFFFAOYSA-M,,,,,,,,,,,
100.091.447,300-637-7,93951-15-6,Cyclohexylhydroxylammonium sulphate (2:1),bis[cyclohexyl(hydroxy)ammonium] sulfate,O[NH2+]C1CCCCC1.O[NH2+]C2CCCCC2.[O-]S(=O)(=O)[O-],O[NH2+]C1CCCCC1.O[NH2+]C2CCCCC2.[O-]S(=O)(=O)[O-],"InChI=1/2C6H13NO.H2O4S/c2*8-7-6-4-2-1-3-5-6;1-5(2,3)4/h2*6-8H,1-5H2;(H2,1,2,3,4)",C6H13NO.1/2H2O4S,,,,,,UGHVGLHFWTYQOX-UHFFFAOYSA-N,,,,,,,,,,,
100.091.449,300-639-8,93951-17-8,"28,28-dibutyl-3,6,9,12,15,18,21,24,27-nonaoxa-28-stannadotriacontan-1-ol","28,28-dibutyl-3,6,9,12,15,18,21,24,27-nonaoxa-28-stannadotriacontan-1-ol",CCCC[Sn](CCCC)(CCCC)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCC[Sn](CCCC)(CCCC)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C18H37O10.3C4H9.Sn/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20;3*1-3-4-2;/h19H,1-18H2;3*1,3-4H2,2H3;/q-1;;;;+1/rC30H64O10Sn/c1-4-7-28-41(29-8-5-2,30-9-6-3)40-27-26-39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-32-11-10-31/h31H,4-30H2,1-3H3",C30H64O10Sn,,,,,,KKZNWKXBSPLDMB-UHFFFAOYSA-N,,,,,,,,,,,
100.091.451,300-641-9,93951-19-0,"N2,N5-bis[(benzyloxy)carbonyl]-N5-[imino[[(benzyloxy)carbonyl]amino]methyl]-L-ornithine, monosodium salt",sodium 2-{[(benzyloxy)carbonyl]amino}-5-([(benzyloxy)carbonyl]{[(benzyloxy)carbonyl]carbamimidoyl}amino)pentanoate,[Na+].[O-]C(=O)[C@H](CCCN(C(=N)NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3,[Na+].[O-]C(=O)[C@H](CCCN(C(=N)NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3,"InChI=1/C30H32N4O8.Na/c31-27(33-29(38)41-20-23-13-6-2-7-14-23)34(30(39)42-21-24-15-8-3-9-16-24)18-10-17-25(26(35)36)32-28(37)40-19-22-11-4-1-5-12-22;/h1-9,11-16,25H,10,17-21H2,(H,32,37)(H,35,36)(H2,31,33,38);/q;+1/p-1",C30H32N4O8.Na,,,,,,UJBQYUJJXOJSFG-UQIIZPHYSA-M,,,,,,,,,,,
100.091.458,300-649-2,93951-26-9,"Tris[2-[(2-methyl-1-oxoallyl)oxy]ethyl] 5-[[[4-(4-aminophenoxy)phenyl]amino]carbonyl]benzene-1,2,4-tricarboxylate","tris[2-(methacryloyloxy)ethyl] 5-{[4-(4-aminophenoxy)phenyl]carbamoyl}benzene-1,2,4-tricarboxylate",CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)C(=O)OCCOC(=O)C(=C)C,CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)Nc2ccc(Oc3ccc(N)cc3)cc2)C(=O)OCCOC(=O)C(=C)C,"InChI=1/C40H40N2O14/c1-23(2)35(44)50-15-18-53-38(47)31-22-33(40(49)55-20-17-52-37(46)25(5)6)32(39(48)54-19-16-51-36(45)24(3)4)21-30(31)34(43)42-27-9-13-29(14-10-27)56-28-11-7-26(41)8-12-28/h7-14,21-22H,1,3,5,15-20,41H2,2,4,6H3,(H,42,43)",C40H40N2O14,,,,,,YFJHYYOIUUAIFS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.464,300-656-0,93951-37-2,"[2-[(2-methyl-1-oxoallyl)oxy]ethyl] hydrogen methylcyclohexane-1,2-dicarboxylate",2-{[2-(methacryloyloxy)ethoxy]carbonyl}-2-methylcyclohexanecarboxylic acid,CC(=C)C(=O)OCCOC(=O)C1(C)CCCCC1C(=O)O,CC(=C)C(=O)OCCOC(=O)C1(C)CCCCC1C(=O)O,"InChI=1/C15H22O6/c1-10(2)13(18)20-8-9-21-14(19)15(3)7-5-4-6-11(15)12(16)17/h11H,1,4-9H2,2-3H3,(H,16,17)",C15H22O6,,,,,,CRYJOLAFTKKXOG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.472,300-664-4,93951-45-2,2-[(6-aminotrimethylhexyl)amino]ethanol,"2-[(6-amino-1,1,2-trimethylhexyl)amino]ethanol",CC(CCCCN)C(C)(C)NCCO,CC(CCCCN)C(C)(C)NCCO,"InChI=1/C11H26N2O/c1-10(6-4-5-7-12)11(2,3)13-8-9-14/h10,13-14H,4-9,12H2,1-3H3",C11H26N2O,,,,,,NTKDAZLAKAQLNM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.565,298-569-5,93805-84-6,Calcium DL-methionate (1:2),calcium bis[2-amino-4-(methylsulfanyl)butanoate],[CaH2].CSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-],[CaH2].CSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-],"InChI=1/2C5H11NO2S.Ca.2H/c2*1-9-3-2-4(6)5(7)8;;;/h2*4H,2-3,6H2,1H3,(H,7,8);;;/q;;+2;;/p-2/r2C5H11NO2S.CaH2/c2*1-9-3-2-4(6)5(7)8;/h2*4H,2-3,6H2,1H3,(H,7,8);1H2/q;;+2/p-2",C5H11NO2S.1/2Ca,,,,,,KNAOPNYRMHNYQI-QDILMJESSA-L,,,,,,,,,,,
100.089.567,298-571-6,93805-86-8,Disodium (Z)-N-(3-carboxylato-1-oxoallyl)-DL-methionate,disodium 4-{[1-carboxylato-3-(methylsulfanyl)propyl]amino}-4-oxobut-2-enoate,[Na+].[Na+].CSCC[C@H](NC(=O)\\C=C/C(=O)[O-])C(=O)[O-],[Na+].[Na+].CSCC[C@H](NC(=O)\C=C/C(=O)[O-])C(=O)[O-],"InChI=1/C9H13NO5S.2Na/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;;/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);;/q;2*+1/p-2",C9H13NO5S.2Na,,,,,,KSRULXRSBHHPIG-NOEALFQGSA-L,,,,,,,,,,,
100.089.569,298-573-7,93805-88-0,Disodium N-(3-carboxylato-1-oxopropyl)-DL-methionate,disodium 2-[(3-carboxylatopropanoyl)amino]-4-(methylsulfanyl)butanoate,[Na+].[Na+].CSCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-],[Na+].[Na+].CSCC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-],"InChI=1/C9H15NO5S.2Na/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;;/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);;/q;2*+1/p-2",C9H15NO5S.2Na,,,,,,ZDWMEVTVSSZLAW-ILKKLZGPSA-L,,,,,,,,,,,
100.089.581,298-586-8,93820-02-1,"Carbonic acid, cadmium salt",cadmium carbonate,[Cd+2].[O-]C(=O)[O-],[Cd+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Cd/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.xCd,,,,,,GKDXQAKPHKQZSC-UHFFFAOYSA-L,,,,,,,,,,,
100.089.583,298-588-9,93820-04-3,Dimethylbis[2-(oleoylamino)ethyl]ammonium chloride,"N,N-dimethyl-2-(oleoylamino)-N-[2-(oleoylamino)ethyl]ethanaminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCC\\C=C/CCCCCCCC,[Cl-].CCCCCCCC\C=C/CCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C42H81N3O2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-39-45(3,4)40-38-44-42(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22H,5-18,23-40H2,1-4H3,(H-,43,44,46,47);1H",C42H82N3O2.Cl,,,,,,OASFLTWQOHKUKP-JDVCJPALSA-N,,,,,,,,,,,
100.089.585,298-591-5,93820-06-5,"3-(1,3-dioxobutyl)oxazolidin-2-one","3-acetoacetyl-1,3-oxazolidin-2-one",CC(=O)CC(=O)N1CCOC1=O,CC(=O)CC(=O)N1CCOC1=O,"InChI=1/C7H9NO4/c1-5(9)4-6(10)8-2-3-12-7(8)11/h2-4H2,1H3",C7H9NO4,,,,,,GDGGLKMFUADUEH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.994,286-923-1,85392-64-9,"Hydrogen tetrachloroaurate(1-), compound with 2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one (1:1)","hydrogen tetrachloroaurate(1-) 2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one (1:1)",CN1CC(=O)N=C1N.Cl[Au-](Cl)(Cl)Cl,CN1CC(=O)N=C1N.Cl[Au-](Cl)(Cl)Cl,"InChI=1/C4H7N3O.Au.4ClH/c1-7-2-3(8)6-4(7)5;;;;;/h2H2,1H3,(H2,5,6,8);;4*1H/q;+3;;;;/p-4/rC4H7N3O.AuCl4/c1-7-2-3(8)6-4(7)5;2-1(3,4)5/h2H2,1H3,(H2,5,6,8);/q;-1",C4H7N3O.AuCl4.H,,,,,,XINFFKTXZHBNFM-UHFFFAOYSA-J,,,,,,,,,,,
100.078.996,286-925-2,85392-66-1,Potassium difluorodihydroxyborate(1-),potassium difluoro(dihydroxy)borate(1-),[K+].O[B-](O)(F)F,[K+].O[B-](O)(F)F,"InChI=1/BF2H2O2.K/c2-1(3,4)5;/h4-5H;/q-1;+1",BF2H2O2.K,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11326,https://echa.europa.eu/substance-information/-/substanceinfo/100.078.996,VRMTUNITGONABS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.998,286-927-3,85392-69-4,"Bis[3,5-bis[[4-[(2-methoxyethyl)methylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)","bis[3,5-bis({4-[(2-methoxyethyl)(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium] tetrachlorozincate(2-)",Cl[Zn-2](Cl)(Cl)Cl.COCCN(C)c1ccc(cc1)N=NC3[NH+](C)\\N=C(\\N=Nc2ccc(cc2)N(C)CCOC)N3C.COCCN(C)c1ccc(cc1)N=NC3[NH+](C)\\N=C(\\N=Nc2ccc(cc2)N(C)CCOC)N3C,Cl[Zn-2](Cl)(Cl)Cl.COCCN(C)c1ccc(cc1)N=NC3[NH+](C)\N=C(\N=Nc2ccc(cc2)N(C)CCOC)N3C.COCCN(C)c1ccc(cc1)N=NC3[NH+](C)\N=C(\N=Nc2ccc(cc2)N(C)CCOC)N3C,"InChI=1/2C24H35N9O2.4ClH.Zn/c2*1-30(15-17-34-5)21-11-7-19(8-12-21)25-27-23-29-33(4)24(32(23)3)28-26-20-9-13-22(14-10-20)31(2)16-18-35-6;;;;;/h2*7-14,24H,15-18H2,1-6H3;4*1H;/q;;;;;;+2/p-2/r2C24H35N9O2.Cl4Zn/c2*1-30(15-17-34-5)21-11-7-19(8-12-21)25-27-23-29-33(4)24(32(23)3)28-26-20-9-13-22(14-10-20)31(2)16-18-35-6;1-5(2,3)4/h2*7-14,24H,15-18H2,1-6H3;/q;;-2/p+2",C24H34N9O2.1/2Cl4Zn,,,,,,GQSCKUVIPBOQEV-UHFFFAOYSA-L,,,,,,,,,,,
100.079.005,286-935-7,85392-77-4,Lead bis(5-oxo-L-prolinate),-,[Pb+2].[O-]C(=O)[C@@H]1CCCN1.[O-]C(=O)[C@H]1NCCC1,[Pb+2].[O-]C(=O)[C@@H]1CCCN1.[O-]C(=O)[C@H]1NCCC1,"InChI=1/2C5H9NO2.Pb.2H/c2*7-5(8)4-2-1-3-6-4;;;/h2*4,6H,1-3H2,(H,7,8);;;/q;;+4;;/p-2/r2C5H9NO2.H2Pb/c2*7-5(8)4-2-1-3-6-4;/h2*4,6H,1-3H2,(H,7,8);1H2/q;;+4/p-2",C5H7NO3.1/2Pb,,,,,,KIOJLQSPGBLUER-SCGRZTRASA-L,,,,,,,,,,,
100.079.006,286-936-2,85392-78-5,Lead bis(5-oxo-DL-prolinate),-,[Pb+2].[O-]C(=O)C1CCCN1.[O-]C(=O)C1NCCC1,[Pb+2].[O-]C(=O)C1CCCN1.[O-]C(=O)C1NCCC1,"InChI=1/2C5H9NO2.Pb.2H/c2*7-5(8)4-2-1-3-6-4;;;/h2*4,6H,1-3H2,(H,7,8);;;/q;;+4;;/p-2/r2C5H9NO2.H2Pb/c2*7-5(8)4-2-1-3-6-4;/h2*4,6H,1-3H2,(H,7,8);1H2/q;;+4/p-2",C5H7NO3.1/2Pb,,,,,,KIOJLQSPGBLUER-UHFFFAOYSA-L,,,,,,,,,,,
100.079.009,286-939-9,85401-48-5,"N,N-dibutyl-4-fluoro-6-[4-[[4-(phenylazo)-1-naphthyl]azo]phenoxy]-1,3,5-triazin-2-amine","N,N-dibutyl-4-fluoro-6-(4-{[4-(phenyldiazenyl)-1-naphthyl]diazenyl}phenoxy)-1,3,5-triazin-2-amine",CCCCN(CCCC)c5nc(F)nc(Oc4ccc(N=Nc3ccc(N=Nc1ccccc1)c2ccccc23)cc4)n5,CCCCN(CCCC)c5nc(F)nc(Oc4ccc(N=Nc3ccc(N=Nc1ccccc1)c2ccccc23)cc4)n5,"InChI=1/C33H33FN8O/c1-3-5-22-42(23-6-4-2)32-35-31(34)36-33(37-32)43-26-18-16-25(17-19-26)39-41-30-21-20-29(27-14-10-11-15-28(27)30)40-38-24-12-8-7-9-13-24/h7-21H,3-6,22-23H2,1-2H3",C33H33FN8O,,,,,,DTGBAEHGWQQTRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.583,300-787-3,93963-44-1,[2-(acryloyloxy)ethyl]diethylammonium methyl sulphate,"2-(acryloyloxy)-N,N-diethylethanaminium methyl sulfate",CC[NH+](CC)CCOC(=O)C=C.COS(=O)(=O)[O-],CC[NH+](CC)CCOC(=O)C=C.COS(=O)(=O)[O-],"InChI=1/C9H17NO2.CH4O4S/c1-4-9(11)12-8-7-10(5-2)6-3;1-5-6(2,3)4/h4H,1,5-8H2,2-3H3;1H3,(H,2,3,4)",C9H17NO2.CH4O4S,,,,,,LEBUWCUIVXPUOC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.588,300-793-6,93963-49-6,"N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]acrylamide","N-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]acrylamide",CC1(C)N(CNC(=O)C=C)C(=O)NC1=O,CC1(C)N(CNC(=O)C=C)C(=O)NC1=O,"InChI=1/C9H13N3O3/c1-4-6(13)10-5-12-8(15)11-7(14)9(12,2)3/h4H,1,5H2,2-3H3,(H,10,13)(H,11,14,15)",C9H13N3O3,,,,,,OGGUODYHPHOMBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.590,300-795-7,93963-52-1,"Methyl (3a,14ß,16a)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate, compound with 5-oxo-L-proline (1:1)","5-oxo-L-proline - methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate (1:1)",CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@](O)(C2)C(=O)OC.OC(=O)[C@@H]6CCC(=O)N6,CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@](O)(C2)C(=O)OC.OC(=O)[C@@H]6CCC(=O)N6,"InChI=1/C21H26N2O3.C5H7NO3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2;7-4-2-1-3(6-4)5(8)9/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C21H26N2O3.C5H7NO3,,,,,,BEAUNJJDFQHPFU-WIHLWDMDSA-N,,,,,,,,,,,
100.091.601,300-807-0,93963-63-4,"5-oxo-L-proline, compound with 4-hydroxy-a-[(methylamino)methyl]benzyl alcohol (1:1)",5-oxo-L-proline - 4-[1-hydroxy-2-(methylamino)ethyl]phenol (1:1),CNCC(O)c1ccc(O)cc1.OC(=O)[C@@H]2CCC(=O)N2,CNCC(O)c1ccc(O)cc1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C9H13NO2.C5H7NO3/c1-10-6-9(12)7-2-4-8(11)5-3-7;7-4-2-1-3(6-4)5(8)9/h2-5,9-12H,6H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C9H13NO2.C5H7NO3,,,,,,VHFQABDOCXPGNQ-HVDRVSQOSA-N,,,,,,,,,,,
100.091.603,300-809-1,93963-65-6,"5-oxo-L-proline, compound with 3-(phenylazo)pyridine-2,6-diamine (1:1)","5-oxo-L-proline - 3-(phenyldiazenyl)pyridine-2,6-diamine (1:1)",OC(=O)[C@@H]1CCC(=O)N1.Nc2ccc(N=Nc1ccccc1)c(N)n2,OC(=O)[C@@H]1CCC(=O)N1.Nc2ccc(N=Nc1ccccc1)c(N)n2,"InChI=1/C11H11N5.C5H7NO3/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;7-4-2-1-3(6-4)5(8)9/h1-7H,(H4,12,13,14);3H,1-2H2,(H,6,7)(H,8,9)",C11H11N5.C5H7NO3,,,,,,CTWMROKEAWPZBK-HVDRVSQOSA-N,,,,,,,,,,,
100.092.476,301-769-8,94043-01-3,"Hexyl 2-(2,4,5-trichlorophenoxy)propionate","hexyl 2-(2,4,5-trichlorophenoxy)propanoate",CCCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,CCCCCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C15H19Cl3O3/c1-3-4-5-6-7-20-15(19)10(2)21-14-9-12(17)11(16)8-13(14)18/h8-10H,3-7H2,1-2H3",C15H19Cl3O3,,,,,,PGUMMMGEOGCDCG-UHFFFAOYSA-N,,,,,,,,,,,
100.081.168,289-317-5,87440-96-8,"Tetrasodium 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 3-{[4-({4-[(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-7-sulfonato-1-naphthyl}diazenyl)-1-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc7ccc(N=Nc5ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6ccccc67,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c8cccc1c8cc(cc1S([O-])(=O)=O)N=Nc7ccc(N=Nc5ccc(N=Nc3c(cc2cc(N)ccc2c3O)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)c6ccccc67,"InChI=1/C40H27N7O13S4.4Na/c41-22-8-10-25-21(16-22)17-38(64(58,59)60)39(40(25)48)47-46-34-14-15-35(30-20-24(61(49,50)51)9-11-28(30)34)45-44-33-13-12-32(26-4-1-2-5-27(26)33)43-42-23-18-31-29(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54;;;;/h1-20,48H,41H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4",C40H27N7O13S4.4Na,,,,,,KKGKMTZFLPUSTR-UHFFFAOYSA-J,,,,,,,,,,,
100.081.182,289-332-7,87706-76-1,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]myristamide,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]tetradecanamide,CCCCCCCCCCCCCC(=O)NCCNCCNCCN,CCCCCCCCCCCCCC(=O)NCCNCCNCCN,"InChI=1/C20H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)24-19-18-23-17-16-22-15-14-21/h22-23H,2-19,21H2,1H3,(H,24,25)",C20H44N4O,,,,,,GTOFNQJLEKUFQP-UHFFFAOYSA-N,,,,,,,,,,,
100.081.184,289-334-8,87708-44-9,1-phenylethyl 2-methylbutyrate,1-phenylethyl 2-methylbutanoate,CCC(C)C(=O)OC(C)c1ccccc1,CCC(C)C(=O)OC(C)c1ccccc1,"InChI=1/C13H18O2/c1-4-10(2)13(14)15-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3",C13H18O2,,,,,,KOQHMJIFZXCPNR-UHFFFAOYSA-N,,,,,,,,,,,
100.081.185,289-335-3,87709-05-5,2-hydroxyethyl hydrogen oxalate,(2-hydroxyethoxy)(oxo)acetic acid,OCCOC(=O)C(=O)O,OCCOC(=O)C(=O)O,"InChI=1/C4H6O5/c5-1-2-9-4(8)3(6)7/h5H,1-2H2,(H,6,7)",C4H6O5,,,,,,ZELZXAOKZAWHME-UHFFFAOYSA-N,,,,,,,,,,,
100.081.187,289-337-4,87735-26-0,"6,6-dibutyl-4,4,8,8-tetraethoxy-3,5,7,9-tetraoxa-4,8-disila-6-stannaundecane","6,6-dibutyl-4,4,8,8-tetraethoxy-3,5,7,9-tetraoxa-4,8-disila-6-stannaundecane",CCCC[Sn](CCCC)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC,CCCC[Sn](CCCC)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC,"InChI=1/2C6H15O4Si.2C4H9.Sn/c2*1-4-8-11(7,9-5-2)10-6-3;2*1-3-4-2;/h2*4-6H2,1-3H3;2*1,3-4H2,2H3;/q2*-1;;;+2/rC20H48O8Si2Sn/c1-9-17-19-31(20-18-10-2,27-29(21-11-3,22-12-4)23-13-5)28-30(24-14-6,25-15-7)26-16-8/h9-20H2,1-8H3",C20H48O8Si2Sn,,,,,,LVILMLNOLVAYLR-UHFFFAOYSA-N,,,,,,,,,,,
100.081.189,289-340-0,87742-13-0,Tetrabutylammonium hydrogen sulphite,"N,N,N-tributylbutan-1-aminium hydrogen sulfite",CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)[O-],CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)[O-],"InChI=1/C16H36N.H2O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4(2)3/h5-16H2,1-4H3;(H2,1,2,3)/q+1;/p-2",C16H36N.HO3S,,,,,,RKUPXQGCEBDURP-UHFFFAOYSA-L,,,,,,,,,,,
100.081.193,289-344-2,87750-60-5,5'-fluoro-2'-methyl-2-trifluoromethylbenzophenone,(5-fluoro-2-methylphenyl)[2-(trifluoromethyl)phenyl]methanone,Cc1ccc(F)cc1C(=O)c2ccccc2C(F)(F)F,Cc1ccc(F)cc1C(=O)c2ccccc2C(F)(F)F,"InChI=1/C15H10F4O/c1-9-6-7-10(16)8-12(9)14(20)11-4-2-3-5-13(11)15(17,18)19/h2-8H,1H3",C15H10F4O,,,,,,GAUVVOWDIITZQI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.199,289-351-0,87848-96-2,"2-bromo-6-[2-(p-tolyl)-1,3-dioxolan-2-yl]pyridine","2-bromo-6-[2-(4-methylphenyl)-1,3-dioxolan-2-yl]pyridine",Cc1ccc(cc1)C2(OCCO2)c3cccc(Br)n3,Cc1ccc(cc1)C2(OCCO2)c3cccc(Br)n3,"InChI=1/C15H14BrNO2/c1-11-5-7-12(8-6-11)15(18-9-10-19-15)13-3-2-4-14(16)17-13/h2-8H,9-10H2,1H3",C15H14BrNO2,,,,,,WVNVMLQIFKCIQC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.204,289-356-8,87887-12-5,"1-[(2,2,6-trimethylcyclohexyl)oxy]pentan-2-ol","1-[(2,2,6-trimethylcyclohexyl)oxy]pentan-2-ol",CCCC(O)COC1C(C)CCCC1(C)C,CCCC(O)COC1C(C)CCCC1(C)C,"InChI=1/C14H28O2/c1-5-7-12(15)10-16-13-11(2)8-6-9-14(13,3)4/h11-13,15H,5-10H2,1-4H3",C14H28O2,,,,,,MVJUTJROMROTCV-UHFFFAOYSA-N,,,,,,,,,,,
100.084.213,292-668-7,90680-33-4,"4-[(4-aminophenyl)methyl]-2,6-diethylaniline","4-(4-aminobenzyl)-2,6-diethylaniline",CCc1cc(Cc2ccc(N)cc2)cc(CC)c1N,CCc1cc(Cc2ccc(N)cc2)cc(CC)c1N,"InChI=1/C17H22N2/c1-3-14-10-13(11-15(4-2)17(14)19)9-12-5-7-16(18)8-6-12/h5-8,10-11H,3-4,9,18-19H2,1-2H3",C17H22N2,,,,,,HUDSLLZRUDXZJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.084.222,292-678-1,90729-40-1,"1-butyl-5-[[4-(4-chlorobenzoyl)-2-nitrophenyl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-butyl-5-{[4-(4-chlorobenzoyl)-2-nitrophenyl]diazenyl}-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",Clc1ccc(cc1)C(=O)c3ccc(N=N/C2=C(\\O)N(CCCC)C(=O)C(/C#N)=C2/C)c(c3)[N+]([O-])=O,Clc1ccc(cc1)C(=O)c3ccc(N=N/C2=C(\O)N(CCCC)C(=O)C(/C#N)=C2/C)c(c3)[N+]([O-])=O,"InChI=1/C24H20ClN5O5/c1-3-4-11-29-23(32)18(13-26)14(2)21(24(29)33)28-27-19-10-7-16(12-20(19)30(34)35)22(31)15-5-8-17(25)9-6-15/h5-10,12,33H,3-4,11H2,1-2H3",C24H20ClN5O5,,,,,,XJRUQIYOHOGTGA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.456,287-432-5,85508-08-3,Hexyl 2-methylpent-3-en-1-oate,hexyl 2-methylpent-3-enoate,CCCCCCOC(=O)C(C)C=CC,CCCCCCOC(=O)C(C)C=CC,"InChI=1/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,9,11H,4,6-8,10H2,1-3H3",C12H22O2,,,,,,BSKRYZBCMPUFRS-UHFFFAOYSA-N,,,,,,,,,,,
100.079.316,287-278-9,85455-43-2,"Sodium 2,5-dichloro-4-[4-[[5-[(ethylphenylamino)sulphonyl]-o-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 2,5-dichloro-4-[4-({5-[ethyl(phenyl)sulfamoyl]-2-methylphenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].CCN(c1ccccc1)S(=O)(=O)c4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(C)cc4,[Na+].CCN(c1ccccc1)S(=O)(=O)c4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(C)cc4,"InChI=1/C25H23Cl2N5O6S2.Na/c1-4-31(17-8-6-5-7-9-17)39(34,35)18-11-10-15(2)21(12-18)28-29-24-16(3)30-32(25(24)33)22-13-20(27)23(14-19(22)26)40(36,37)38;/h5-14,24H,4H2,1-3H3,(H,36,37,38);/q;+1/p-1",C25H23Cl2N5O6S2.Na,,,,,,BCPRZMBBZVMNDU-UHFFFAOYSA-M,,,,,,,,,,,
100.079.317,287-279-4,85455-44-3,"2,5-dichloro-4-[4-[[5-[(ethylphenylamino)sulphonyl]-o-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","2,5-dichloro-4-[4-({5-[ethyl(phenyl)sulfamoyl]-2-methylphenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",CCN(c1ccccc1)S(=O)(=O)c4cc(N=NC3C(\\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(C)cc4,CCN(c1ccccc1)S(=O)(=O)c4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(C)cc4,"InChI=1/C25H23Cl2N5O6S2/c1-4-31(17-8-6-5-7-9-17)39(34,35)18-11-10-15(2)21(12-18)28-29-24-16(3)30-32(25(24)33)22-13-20(27)23(14-19(22)26)40(36,37)38/h5-14,24H,4H2,1-3H3,(H,36,37,38)",C25H23Cl2N5O6S2,,,,,,LRFMSUFPOLRTGA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.320,287-283-6,85455-47-6,4-[[1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl]azo]naphthalenesulphonic acid,4-[(6-anilino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)c5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S(O)(=O)=O)c4ccccc45,OS(=O)(=O)c5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S(O)(=O)=O)c4ccccc45,"InChI=1/C26H19N3O7S2/c30-26-19-11-10-18(27-17-6-2-1-3-7-17)14-16(19)15-24(38(34,35)36)25(26)29-28-22-12-13-23(37(31,32)33)21-9-5-4-8-20(21)22/h1-15,27,30H,(H,31,32,33)(H,34,35,36)",C26H19N3O7S2,,,,,,PIGJJAZVQIGLRT-UHFFFAOYSA-N,,,,,,,,,,,
100.079.323,287-286-2,85455-50-1,"4-[(5-chloro-2-methylphenyl)azo]-N-(2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide","4-[(5-chloro-2-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-hydroxy-2-naphthamide",Cc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(OC)ccc1OC)c2O,Cc4ccc(Cl)cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(OC)ccc1OC)c2O,"InChI=1/C26H22ClN3O4/c1-15-8-9-17(27)13-21(15)29-30-24-19-7-5-4-6-16(19)12-20(25(24)31)26(32)28-22-14-18(33-2)10-11-23(22)34-3/h4-14,31H,1-3H3,(H,28,32)",C26H22ClN3O4,,,,,,BFNZPNOJLBXFSP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.324,287-287-8,85455-51-2,"2-[N-cyclohexyl-4-(2,2-dicyanovinyl)-3-methylanilino]ethyl carbanilate","2-{cyclohexyl[4-(2,2-dicyanovinyl)-3-methylphenyl]amino}ethyl phenylcarbamate",Cc1cc(ccc1C=C(C#N)C#N)N(CCOC(=O)Nc2ccccc2)C3CCCCC3,Cc1cc(ccc1C=C(C#N)C#N)N(CCOC(=O)Nc2ccccc2)C3CCCCC3,"InChI=1/C26H28N4O2/c1-20-16-25(13-12-22(20)17-21(18-27)19-28)30(24-10-6-3-7-11-24)14-15-32-26(31)29-23-8-4-2-5-9-23/h2,4-5,8-9,12-13,16-17,24H,3,6-7,10-11,14-15H2,1H3,(H,29,31)",C26H28N4O2,,,,,,WEIWQJRQSLNRJV-UHFFFAOYSA-N,,,,,,,,,,,
100.079.325,287-288-3,85455-52-3,"2-ethoxy-2-oxoethyl 3,5-dibromo-4-[[4-(diethylamino)-2-[(4-methoxy-1,4-dioxobutyl)amino]phenyl]azo]benzoate","2-ethoxy-2-oxoethyl 3,5-dibromo-4-({4-(diethylamino)-2-[(4-methoxy-4-oxobutanoyl)amino]phenyl}diazenyl)benzoate",Brc2cc(cc(Br)c2N=Nc1ccc(cc1NC(=O)CCC(=O)OC)N(CC)CC)C(=O)OCC(=O)OCC,Brc2cc(cc(Br)c2N=Nc1ccc(cc1NC(=O)CCC(=O)OC)N(CC)CC)C(=O)OCC(=O)OCC,"InChI=1/C26H30Br2N4O7/c1-5-32(6-2)17-8-9-20(21(14-17)29-22(33)10-11-23(34)37-4)30-31-25-18(27)12-16(13-19(25)28)26(36)39-15-24(35)38-7-3/h8-9,12-14H,5-7,10-11,15H2,1-4H3,(H,29,33)",C26H30Br2N4O7,,,,,,PLDUXHBACDKFBK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.332,287-296-7,85455-60-3,N-[2-[(2-aminoethyl)amino]ethyl]stearamide diacetate,N-{2-[(2-aminoethyl)amino]ethyl}octadecanamide diacetate,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O.CC(=O)O,"InChI=1/C22H47N3O.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;2*1-2(3)4/h24H,2-21,23H2,1H3,(H,25,26);2*1H3,(H,3,4)",C22H47N3O.2C2H4O2,,,,,,YUEABYFXTBPBMI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.333,287-297-2,85455-61-4,"1-(2-aminoethyl)-2-(5,8-heptadecadienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium chloride","1-(2-aminoethyl)-2-heptadeca-5,8-dien-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].OCC[N+]1(CCN)CC\\N=C1\\CCCCC=CCC=CCCCCCCCC,[Cl-].OCC[N+]1(CCN)CC\N=C1\CCCCC=CCC=CCCCCCCCC,"InChI=1/C24H46N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-21-27(24,20-18-25)22-23-28;/h9-10,12-13,28H,2-8,11,14-23,25H2,1H3;1H/q+1;/p-1",C24H46N3O.Cl,,,,,,OUDFWMPRTYJCHS-UHFFFAOYSA-M,,,,,,,,,,,
100.079.334,287-298-8,85455-64-7,Disodium 1-icosyl 2-sulphonatosuccinate,disodium 4-(icosyloxy)-4-oxo-3-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C24H46O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;;/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);;/q;2*+1/p-2",C24H46O7S.2Na,,,,,,SFQDCIUQEFAJAY-UHFFFAOYSA-L,,,,,,,,,,,
100.079.335,287-299-3,85455-65-8,2-[(2-aminoethyl)amino]ethyl stearate,2-[(2-aminoethyl)amino]ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCCNCCN,CCCCCCCCCCCCCCCCCC(=O)OCCNCCN,"InChI=1/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-20-24-19-18-23/h24H,2-21,23H2,1H3",C22H46N2O2,,,,,,PRDGXECTJBANIO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.597,298-603-9,93820-21-4,(octylphenoxy)propanol,1-(2-octylphenoxy)propan-1-ol,CCCCCCCCc1ccccc1OC(O)CC,CCCCCCCCc1ccccc1OC(O)CC,"InChI=1/C17H28O2/c1-3-5-6-7-8-9-12-15-13-10-11-14-16(15)19-17(18)4-2/h10-11,13-14,17-18H,3-9,12H2,1-2H3",C17H28O2,,,,,,PMECRIMQQYWYTA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.164,301-426-2,94021-32-6,"Disodium 5-[[4-[[[4-[[2,4-dihydroxy-5-[[2-hydroxy-5-[(3-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate","disodium 5-({4-[(4-{[2,4-dihydroxy-5-({2-hydroxy-5-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}phenyl)carbamoyl]phenyl}diazenyl)-2-hydroxybenzoate",[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2cc(N=Nc1cccc(c1)S([O-])(=O)=O)ccc2O)N=Nc6ccc(NC(=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)cc5)cc6,[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2cc(N=Nc1cccc(c1)S([O-])(=O)=O)ccc2O)N=Nc6ccc(NC(=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)cc5)cc6,"InChI=1/C38H27N9O10S.2Na/c48-33-14-12-26(17-29(33)38(53)54)43-40-23-6-4-21(5-7-23)37(52)39-22-8-10-24(11-9-22)41-45-31-19-32(36(51)20-35(31)50)47-46-30-18-27(13-15-34(30)49)44-42-25-2-1-3-28(16-25)58(55,56)57;;/h1-20,48-51H,(H,39,52)(H,53,54)(H,55,56,57);;/q;2*+1/p-2",C38H27N9O10S.2Na,,,,,,ZKSLZRXADQNBEP-UHFFFAOYSA-L,,,,,,,,,,,
100.092.171,301-434-6,94021-39-3,1-vinylhexyl hexanoate,1-vinylhexyl hexanoate,CCCCCC(OC(=O)CCCCC)C=C,CCCCCC(OC(=O)CCCCC)C=C,"InChI=1/C14H26O2/c1-4-7-9-11-13(6-3)16-14(15)12-10-8-5-2/h6,13H,3-5,7-12H2,1-2H3",C14H26O2,,,,,,NZGQZMCGLBFVDE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.174,301-437-2,94021-42-8,2-(5-methylthiazol-4-yl)ethyl isobutyrate,"2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-methylpropanoate",CC(C)C(=O)OCCc1ncsc1C,CC(C)C(=O)OCCc1ncsc1C,"InChI=1/C10H15NO2S/c1-7(2)10(12)13-5-4-9-8(3)14-6-11-9/h6-7H,4-5H2,1-3H3",C10H15NO2S,,,,,,KMEDDQQKAPHCLF-UHFFFAOYSA-N,,,,,,,,,,,
100.085.272,293-835-7,91458-02-5,2-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-1-methylcyclohexane,2-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-1-methylcyclohexane,CC1CCC(CC2CCC(CC2)N=C=O)CC1N=C=O,CC1CCC(CC2CCC(CC2)N=C=O)CC1N=C=O,"InChI=1/C16H24N2O2/c1-12-2-3-14(9-16(12)18-11-20)8-13-4-6-15(7-5-13)17-10-19/h12-16H,2-9H2,1H3",C16H24N2O2,,,,,,CXSGYWVQWOTXPI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.457,288-534-2,85750-09-0,"Tetrasodium N-[4-[[4-[[4-[[1-amino-8-hydroxy-3,6-disulphonato-7-[(4-sulphonatophenyl)azo]-2-naphthyl]azo]benzoyl]amino]phenyl]azo]-3-hydroxyphenyl]glycinate","tetrasodium ({4-[(4-{[4-({1-amino-8-hydroxy-3,6-disulfonato-7-[(4-sulfonatophenyl)diazenyl]-2-naphthyl}diazenyl)benzoyl]amino}phenyl)diazenyl]-3-hydroxyphenyl}amino)acetate",[Na+].[Na+].[Na+].[Na+].Oc6cc(ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5)NCC([O-])=O,[Na+].[Na+].[Na+].[Na+].Oc6cc(ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S([O-])(=O)=O)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc5)NCC([O-])=O,"InChI=1/C37H29N9O14S3.4Na/c38-33-32-20(16-30(63(58,59)60)35(36(32)50)46-43-24-9-12-26(13-10-24)61(52,53)54)15-29(62(55,56)57)34(33)45-42-22-3-1-19(2-4-22)37(51)40-21-5-7-23(8-6-21)41-44-27-14-11-25(17-28(27)47)39-18-31(48)49;;;;/h1-17,39,47,50H,18,38H2,(H,40,51)(H,48,49)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4",C37H29N9O14S3.4Na,,,,,,HXNWVUPMXDOVKM-UHFFFAOYSA-J,,,,,,,,,,,
100.080.463,288-541-0,85750-15-8,"2-[[[2-chloro-4-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-hydroxyphenyl]sulphonyl]amino]benzoic acid","2-{[(2-chloro-4-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-hydroxyphenyl)sulfonyl]amino}benzoic acid",OC(=O)c4ccccc4NS(=O)(=O)c1cc(O)c(cc1Cl)N=NC3C(\\C)=N/N(c2cc(Cl)ccc2)C3=O,OC(=O)c4ccccc4NS(=O)(=O)c1cc(O)c(cc1Cl)N=NC3C(\C)=N/N(c2cc(Cl)ccc2)C3=O,"InChI=1/C23H17Cl2N5O6S/c1-12-21(22(32)30(28-12)14-6-4-5-13(24)9-14)27-26-18-10-16(25)20(11-19(18)31)37(35,36)29-17-8-3-2-7-15(17)23(33)34/h2-11,21,29,31H,1H3,(H,33,34)",C23H17Cl2N5O6S,,,,,,BDCNIJYXQLKZPP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.464,288-542-6,85750-16-9,"Trisodium 5-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]naphthalene-2-sulphonate","trisodium 5-({4-chloro-6-[(3-{[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)naphthalene-2-sulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cccc6Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc6c(c1)cccc6Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O,"InChI=1/C29H20Cl3N9O10S3.3Na/c1-13-25(26(42)41(40-13)22-11-19(31)24(12-18(22)30)54(49,50)51)39-38-21-10-15(5-8-23(21)53(46,47)48)33-28-35-27(32)36-29(37-28)34-20-4-2-3-14-9-16(52(43,44)45)6-7-17(14)20;;;/h2-12,25H,1H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,33,34,35,36,37);;;/q;3*+1/p-3",C29H20Cl3N9O10S3.3Na,,,,,,NQGVOSFNUGKNHU-UHFFFAOYSA-K,,,,,,,,,,,
100.092.478,301-771-9,94043-03-5,"Hexyl 2-(2,4-dichlorophenoxy)propionate","hexyl 2-(2,4-dichlorophenoxy)propanoate",CCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,CCCCCCOC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C15H20Cl2O3/c1-3-4-5-6-9-19-15(18)11(2)20-14-8-7-12(16)10-13(14)17/h7-8,10-11H,3-6,9H2,1-2H3",C15H20Cl2O3,,,,,,QHJAMKPDUDVZKT-UHFFFAOYSA-N,,,,,,,,,,,
100.092.481,301-775-0,94043-06-8,5-(fluoromethyl)-2-furaldehyde,5-(fluoromethyl)-2-furaldehyde,FCc1oc(C=O)cc1,FCc1oc(C=O)cc1,"InChI=1/C6H5FO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2",C6H5FO2,,,,,,NWOKZDMHAXVEJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.490,301-785-5,94070-85-6,"1,3-dibromo-1,2,3,4-tetrahydronaphthalene","1,3-dibromo-1,2,3,4-tetrahydronaphthalene",BrC1CC(Br)c2ccccc2C1,BrC1CC(Br)c2ccccc2C1,"InChI=1/C10H10Br2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-4,8,10H,5-6H2",C10H10Br2,,,,,,VUDWWNGBDAJKFX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.007,285-838-7,85153-56-6,"2,2-dimethoxyethyl(dimethyl)ammonium chloride","2,2-dimethoxy-N,N-dimethylethanaminium chloride",[Cl-].COC(C[NH+](C)C)OC,[Cl-].COC(C[NH+](C)C)OC,"InChI=1/C6H15NO2.ClH/c1-7(2)5-6(8-3)9-4;/h6H,5H2,1-4H3;1H",C6H15NO2.ClH,,,,,,NLDLVVWQCQYFJL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.012,285-843-4,85153-61-3,Phenyl 2-chloroacetoacetate,phenyl 4-chloro-3-oxobutanoate,ClCC(=O)CC(=O)Oc1ccccc1,ClCC(=O)CC(=O)Oc1ccccc1,"InChI=1/C10H9ClO3/c11-7-8(12)6-10(13)14-9-4-2-1-3-5-9/h1-5H,6-7H2",C10H9ClO3,,,,,,RMNCNUDRSVATNM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.022,285-854-4,85153-71-5,"Phosphoric acid, butyl ester, compd. with (Z)-N-[2-[(2-hydroxyethyl)amino]ethyl]-9-octadecenamide",butyl dihydrogen phosphate - N-{2-[(2-hydroxyethyl)amino]ethyl}octadec-9-enamide (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNCCO.CCCCOP(=O)(O)O,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCCO.CCCCOP(=O)(O)O,"InChI=1/C22H44N2O2.C4H11O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2-3-4-8-9(5,6)7/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26);2-4H2,1H3,(H2,5,6,7)",-,,,,,,XCLQHVPLEFKGQM-KVVVOXFISA-N,,,,,,,,,,,
100.078.025,285-858-6,85153-74-8,"5-oxo-DL-proline, compound with L-threonine (1:1)",5-oxo-L-proline - L-threonine (1:1),CC(O)[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,CC(O)[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C4H9NO3/c7-4-2-1-3(6-4)5(8)9;1-2(6)3(5)4(7)8/h3H,1-2H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8)",C5H7NO3.C4H9NO3,,,,,,DJKGCEGBSKHVHU-CFTANFMLSA-N,,,,,,,,,,,
100.078.031,285-864-9,85153-80-6,"5-oxo-L-proline, compound with L-methionine (1:1)",5-oxo-L-proline - L-methionine (1:1),CSCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,CSCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C5H11NO2S/c7-4-2-1-3(6-4)5(8)9;1-9-3-2-4(6)5(7)8/h3H,1-2H2,(H,6,7)(H,8,9);4H,2-3,6H2,1H3,(H,7,8)",C5H11NO2S.C5H7NO3,,,,,,JRRDLLMFFHGUGJ-ZATYTLRZSA-N,,,,,,,,,,,
100.078.033,285-867-5,85153-82-8,Propyl 5-oxo-DL-prolinate,propyl 5-oxo-L-prolinate,CCCOC(=O)[C@@H]1CCC(=O)N1,CCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H13NO3/c1-2-5-12-8(11)6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)",C8H13NO3,,,,,,BGXWNKLNZHEEMA-LURJTMIESA-N,,,,,,,,,,,
100.078.034,285-868-0,85153-83-9,Propyl 5-oxo-L-prolinate,propyl 5-oxo-L-prolinate,CCCOC(=O)[C@@H]1CCC(=O)N1,CCCOC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H13NO3/c1-2-5-12-8(11)6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)",C8H13NO3,,,,,,BGXWNKLNZHEEMA-LURJTMIESA-N,,,,,,,,,,,
100.078.035,285-869-6,85153-84-0,"5-oxo-DL-proline, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)","5-oxo-L-proline - 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (1:1)",Cc1ncc(CO)c(CO)c1O.OC(=O)[C@@H]2CCC(=O)N2,Cc1ncc(CO)c(CO)c1O.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C8H11NO3.C5H7NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4-2-1-3(6-4)5(8)9/h2,10-12H,3-4H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C8H11NO3.C5H7NO3,,,,,,RYKKQQUKJJGFMN-HVDRVSQOSA-N,,,,,,,,,,,
100.093.149,302-511-7,94109-71-4,N-(6-ethoxybenzothiazol-2-yl)-2-mercaptoacetamide,"N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-sulfanylacetamide",CCOc1ccc2nc(NC(=O)CS)sc2c1,CCOc1ccc2nc(NC(=O)CS)sc2c1,"InChI=1/C11H12N2O2S2/c1-2-15-7-3-4-8-9(5-7)17-11(12-8)13-10(14)6-16/h3-5,16H,2,6H2,1H3,(H,12,13,14)",C11H12N2O2S2,,,,,,PENUZPQXEOSXGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.150,302-512-2,94109-72-5,"3-ethyl-4,5-dihydro-2-methylthiazolium toluene-p-sulphonate","3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium 4-methylbenzenesulfonate",CC[N+]1=C(C)SCC1.Cc2ccc(cc2)S(=O)(=O)[O-],CC[N+]1=C(C)SCC1.Cc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/C7H8O3S.C6H12NS/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-7-4-5-8-6(7)2/h2-5H,1H3,(H,8,9,10);3-5H2,1-2H3/q;+1/p-1",C7H7O3S.C6H12NS,,,,,,XFQZVBXNXUMYPU-UHFFFAOYSA-M,,,,,,,,,,,
100.078.049,285-884-8,85154-03-6,"Trisodium 2-[3-sulphonato-4-[2-[2-sulphonato-4-(1H-1,2,3-triazol-1-yl)phenyl]vinyl]phenyl]-2H-naphtho[1,2-d]triazole-6-sulphonate","trisodium 2-(3-sulfonato-4-{2-[2-sulfonato-4-(1H-1,2,3-triazol-1-yl)phenyl]vinyl}phenyl)-2H-naphtho[1,2-d][1,2,3]triazole-6-sulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc2c1ccc3nn(nc23)c4ccc(\\C=C\\c5ccc(cc5S(=O)(=O)[O-])n6ccnn6)c(c4)S(=O)(=O)[O-],[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc2c1ccc3nn(nc23)c4ccc(\C=C\c5ccc(cc5S(=O)(=O)[O-])n6ccnn6)c(c4)S(=O)(=O)[O-],"InChI=1/C26H18N6O9S3.3Na/c33-42(34,35)23-3-1-2-21-20(23)10-11-22-26(21)29-32(28-22)19-9-7-17(25(15-19)44(39,40)41)5-4-16-6-8-18(31-13-12-27-30-31)14-24(16)43(36,37)38;;;/h1-15H,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3",C26H18N6O9S3.3Na,,,,,,HZICBJJXPSGGNK-WVFFXBQBSA-K,,,,,,,,,,,
100.079.460,287-436-7,85508-12-9,Bis(2-aminoethyl) hexyl phosphate,bis(2-aminoethyl) hexyl phosphate,CCCCCCOP(=O)(OCCN)OCCN,CCCCCCOP(=O)(OCCN)OCCN,"InChI=1/C10H25N2O4P/c1-2-3-4-5-8-14-17(13,15-9-6-11)16-10-7-12/h2-12H2,1H3",C10H25N2O4P,,,,,,ARKHANLODLSDSU-UHFFFAOYSA-N,,,,,,,,,,,
100.079.466,287-443-5,85508-18-5,Bis(2-aminoethyl) octadecyl phosphate,bis(2-aminoethyl) octadecyl phosphate,CCCCCCCCCCCCCCCCCCOP(=O)(OCCN)OCCN,CCCCCCCCCCCCCCCCCCOP(=O)(OCCN)OCCN,"InChI=1/C22H49N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-29(25,27-21-18-23)28-22-19-24/h2-24H2,1H3",C22H49N2O4P,,,,,,KQMUNPGDNRFCHU-UHFFFAOYSA-N,,,,,,,,,,,
100.081.212,289-365-7,87994-64-7,"9,9-bis[2-(2-methoxyethoxy)ethoxy]-2,5,8-trioxa-9-siladodecan-12-amine","9,9-bis[2-(2-methoxyethoxy)ethoxy]-2,5,8-trioxa-9-siladodecan-12-amine",COCCOCCO[Si](CCCN)(OCCOCCOC)OCCOCCOC,COCCOCCO[Si](CCCN)(OCCOCCOC)OCCOCCOC,"InChI=1/C18H41NO9Si/c1-20-6-9-23-12-15-26-29(18-4-5-19,27-16-13-24-10-7-21-2)28-17-14-25-11-8-22-3/h4-19H2,1-3H3",C18H41NO9Si,,,,,,PJURIXUDYDHOMA-UHFFFAOYSA-N,,,,,,,,,,,
100.081.213,289-366-2,87996-54-1,2'-chloro-4-trifluoromethoxybenzophenone,(2-chlorophenyl)[4-(trifluoromethoxy)phenyl]methanone,FC(F)(F)Oc1ccc(cc1)C(=O)c2ccccc2Cl,FC(F)(F)Oc1ccc(cc1)C(=O)c2ccccc2Cl,"InChI=1/C14H8ClF3O2/c15-12-4-2-1-3-11(12)13(19)9-5-7-10(8-6-9)20-14(16,17)18/h1-8H",C14H8ClF3O2,,,,,,XUMDUKMAADXRGL-UHFFFAOYSA-N,,,,,,,,,,,
100.081.216,289-369-9,87996-57-4,4-trifluoromethoxy-2'-trifluoromethylbenzophenone,[4-(trifluoromethoxy)phenyl][2-(trifluoromethyl)phenyl]methanone,FC(F)(F)Oc1ccc(cc1)C(=O)c2ccccc2C(F)(F)F,FC(F)(F)Oc1ccc(cc1)C(=O)c2ccccc2C(F)(F)F,"InChI=1/C15H8F6O2/c16-14(17,18)12-4-2-1-3-11(12)13(22)9-5-7-10(8-6-9)23-15(19,20)21/h1-8H",C15H8F6O2,,,,,,OBAIXSBKXHICFO-UHFFFAOYSA-N,,,,,,,,,,,
100.081.218,289-372-5,88023-65-8,Potassium (2S-trans)-3-[[[2-(formylamino)thiazol-4-yl]oxoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulphonate,"potassium 3-{[(2-formamido-1,3-thiazol-4-yl)(oxo)acetyl]amino}-2-methyl-4-oxoazetidine-1-sulfonate",[K+].C[C@H]1[C@H](NC(=O)C(=O)c2csc(NC=O)n2)C(=O)N1S(=O)(=O)[O-],[K+].C[C@H]1[C@H](NC(=O)C(=O)c2csc(NC=O)n2)C(=O)N1S(=O)(=O)[O-],"InChI=1/C10H10N4O7S2.K/c1-4-6(9(18)14(4)23(19,20)21)13-8(17)7(16)5-2-22-10(12-5)11-3-15;/h2-4,6H,1H3,(H,13,17)(H,11,12,15)(H,19,20,21);/q;+1/p-1",C10H10N4O7S2.K,,,,,,PPMCTCAERIMPSL-DPIOYBAHSA-M,,,,,,,,,,,
100.081.219,289-373-0,88076-29-3,"Cyclohexyl hydrogen methylcyclohexane-1,2-dicarboxylate",2-[(cyclohexyloxy)carbonyl]-2-methylcyclohexanecarboxylic acid,CC1(CCCCC1C(=O)O)C(=O)OC2CCCCC2,CC1(CCCCC1C(=O)O)C(=O)OC2CCCCC2,"InChI=1/C15H24O4/c1-15(10-6-5-9-12(15)13(16)17)14(18)19-11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,16,17)",C15H24O4,,,,,,WNIOYEFHAGOVQV-UHFFFAOYSA-N,,,,,,,,,,,
100.081.234,289-389-8,88127-83-7,"9-[2-(2-methoxyethoxy)ethoxy]-9-methyl-2,5,8-trioxa-9-siladodecan-12-amine","9-[2-(2-methoxyethoxy)ethoxy]-9-methyl-2,5,8-trioxa-9-siladodecan-12-amine",COCCOCCO[Si](C)(CCCN)OCCOCCOC,COCCOCCO[Si](C)(CCCN)OCCOCCOC,"InChI=1/C14H33NO6Si/c1-16-6-8-18-10-12-20-22(3,14-4-5-15)21-13-11-19-9-7-17-2/h4-15H2,1-3H3",C14H33NO6Si,,,,,,LNYJHMOAJXQKBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.236,289-391-9,88153-50-8,"4-(2,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-2-benzopyrone","4-(2,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-2H-chromen-2-one",COc1cc(O)c2C(=CC(=O)Oc2c1)c3cc(O)ccc3O,COc1cc(O)c2C(=CC(=O)Oc2c1)c3cc(O)ccc3O,"InChI=1/C16H12O6/c1-21-9-5-13(19)16-11(7-15(20)22-14(16)6-9)10-4-8(17)2-3-12(10)18/h2-7,17-19H,1H3",C16H12O6,,,,,,SLKYVJWZJRRXFL-UHFFFAOYSA-N,,,,,,,,,,,
100.081.238,289-394-5,88166-55-6,N-dodecyl-1H-adenine,N-dodecyl-1H-purin-6-amine,CCCCCCCCCCCCNc1[nH]cnc2ncnc12,CCCCCCCCCCCCNc1[nH]cnc2ncnc12,"InChI=1/C17H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-18-16-15-17(20-13-19-15)22-14-21-16/h13-14H,2-12H2,1H3,(H2,18,19,20,21,22)",C17H29N5,,,,,,SBEOUENSMWBHFN-UHFFFAOYSA-N,,,,,,,,,,,
100.084.227,292-683-9,90850-66-1,"1-hydroxy-4-[[[4-hydroxy-3-(2-pyridylazo)naphthyl]sulphonyl]amino]-N,N-dioctadecylnaphthalene-2-carboxamide","1-hydroxy-4-({[4-hydroxy-3-(pyridin-2-yldiazenyl)-1-naphthyl]sulfonyl}amino)-N,N-dioctadecyl-2-naphthamide",CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c5cc(NS(=O)(=O)c2cc(N=Nc1ccccn1)c(O)c3ccccc23)c4ccccc4c5O,CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c5cc(NS(=O)(=O)c2cc(N=Nc1ccccn1)c(O)c3ccccc23)c4ccccc4c5O,"InChI=1/C62H91N5O5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-47-67(48-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)62(70)55-49-56(51-41-33-35-43-53(51)60(55)68)66-73(71,72)58-50-57(64-65-59-45-37-38-46-63-59)61(69)54-44-36-34-42-52(54)58/h33-38,41-46,49-50,66,68-69H,3-32,39-40,47-48H2,1-2H3",C62H91N5O5S,,,,,,VQRXLQGLCHLMFH-UHFFFAOYSA-N,,,,,,,,,,,
100.084.234,292-691-2,90959-88-9,Magnesium cumenesulphonate,magnesium bis(2-isopropylbenzenesulfonate),[Mg+2].CC(C)c1ccccc1S(=O)(=O)[O-].CC(C)c2ccccc2S(=O)(=O)[O-],[Mg+2].CC(C)c1ccccc1S(=O)(=O)[O-].CC(C)c2ccccc2S(=O)(=O)[O-],"InChI=1/2C9H12O3S.Mg/c2*1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h2*3-7H,1-2H3,(H,10,11,12);/q;;+2/p-2",C9H12O3S.1/2Mg,,,,,,GUWGBQBVMXDDNK-UHFFFAOYSA-L,,,,,,,,,,,
100.079.254,287-210-8,85423-07-0,4-(2-aminobenzyl)-N-ethylaniline,4-(2-aminobenzyl)-N-ethylaniline,CCNc1ccc(Cc2ccccc2N)cc1,CCNc1ccc(Cc2ccccc2N)cc1,"InChI=1/C15H18N2/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16/h3-10,17H,2,11,16H2,1H3",C15H18N2,,,,,,JQGOIXBUKFWGRC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.339,287-303-3,85455-69-2,Allyl 3-(acetoxy)but-3-enoate,allyl 3-acetoxybut-3-enoate,CC(=O)OC(=C)CC(=O)OCC=C,CC(=O)OC(=C)CC(=O)OCC=C,"InChI=1/C9H12O4/c1-4-5-12-9(11)6-7(2)13-8(3)10/h4H,1-2,5-6H2,3H3",C9H12O4,,,,,,SXFHHVGLBFBLIG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.875,285-692-4,85118-38-3,1-[2-(2-chloroethoxy)ethyl]pyridinium chloride,1-[2-(2-chloroethoxy)ethyl]pyridinium chloride,[Cl-].ClCCOCC[n+]1ccccc1,[Cl-].ClCCOCC[n+]1ccccc1,"InChI=1/C9H13ClNO.ClH/c10-4-8-12-9-7-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-9H2;1H/q+1;/p-1",C9H13ClNO.Cl,,,,,,PTMSYUSEEYPPMU-UHFFFAOYSA-M,,,,,,,,,,,
100.077.877,285-695-0,85118-40-7,"3,5,5-trimethylhexyl 2-ethylhexanoate","3,5,5-trimethylhexyl 2-ethylhexanoate",CCCCC(CC)C(=O)OCCC(C)CC(C)(C)C,CCCCC(CC)C(=O)OCCC(C)CC(C)(C)C,"InChI=1/C17H34O2/c1-7-9-10-15(8-2)16(18)19-12-11-14(3)13-17(4,5)6/h14-15H,7-13H2,1-6H3",C17H34O2,,,,,,UVKYEIOCJVCWNW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.884,285-702-7,85135-81-5,17ß-hydroxyandrost-4-en-3-one decanoylglycolate,3-oxoandrost-4-en-17-yl 2-hydroxy-3-oxododecanoate,CCCCCCCCCC(=O)C(O)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CCCCCCCCCC(=O)C(O)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1/C31H48O5/c1-4-5-6-7-8-9-10-11-26(33)28(34)29(35)36-27-15-14-24-23-13-12-21-20-22(32)16-18-30(21,2)25(23)17-19-31(24,27)3/h20,23-25,27-28,34H,4-19H2,1-3H3",C31H48O5,,,,,,GFNGHNQLACFSPX-GHJVWEBLSA-N,,,,,,,,,,,
100.077.885,285-703-2,85135-82-6,"(9S)-10,11-dihydro-6'-methoxycinchonan-9-ol, compound with 5-ethyl-5-(3-methylbutyl)barbituric acid (1:1)","5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione - 6'-methoxy-10,11-dihydrocinchonan-9-ol (1:1)",CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.CCC5(CCC(C)C)C(=O)NC(=O)NC5=O,CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.CCC5(CCC(C)C)C(=O)NC(=O)NC5=O,"InChI=1/C20H26N2O2.C11H18N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",C20H26N2O2.C11H18N2O3,,,,,,HNDGSCYYDKNAMN-VJAUXQICSA-N,,,,,,,,,,,
100.077.892,285-711-6,85135-90-6,Trisodium 7-acetamido-4-hydroxy-3-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,trisodium 7-acetamido-4-hydroxy-3-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C24H19N5O11S3.3Na/c1-13(30)25-16-4-8-19-14(10-16)11-22(43(38,39)40)23(24(19)31)29-28-20-9-5-17(12-21(20)42(35,36)37)27-26-15-2-6-18(7-3-15)41(32,33)34;;;/h2-12,31H,1H3,(H,25,30)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3",C24H19N5O11S3.3Na,,,,,,SMBLNGPWAGSHAL-UHFFFAOYSA-K,,,,,,,,,,,
100.077.893,285-712-1,85135-91-7,"Tetrasodium 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3,6-trisulphonate","tetrasodium 7-({4'-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-8-hydroxynaphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(N=Nc6c(cc5cc(Nc4ccccc4)ccc5c6O)S([O-])(=O)=O)c(OC)c7,[Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(N=Nc6c(cc5cc(Nc4ccccc4)ccc5c6O)S([O-])(=O)=O)c(OC)c7,"InChI=1/C40H31N5O16S4.4Na/c1-60-31-16-21(8-12-29(31)42-44-37-34(64(54,55)56)18-23-14-26(10-11-28(23)39(37)46)41-25-6-4-3-5-7-25)22-9-13-30(32(17-22)61-2)43-45-38-35(65(57,58)59)19-24-15-27(62(48,49)50)20-33(63(51,52)53)36(24)40(38)47;;;;/h3-20,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;/q;4*+1/p-4",C40H31N5O16S4.4Na,,,,,,SWCCCMBPIOGJSD-UHFFFAOYSA-J,,,,,,,,,,,
100.077.895,285-714-2,85135-93-9,"Disodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-[(o-tolyl)azo]naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-6-[(2-methylphenyl)diazenyl]-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3C)c4O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3C)c4O)S([O-])(=O)=O,"InChI=1/C23H18N6O9S2.2Na/c1-12-4-2-3-5-16(12)26-28-22-18(40(36,37)38)11-13-10-17(39(33,34)35)21(20(24)19(13)23(22)30)27-25-14-6-8-15(9-7-14)29(31)32;;/h2-11,30H,24H2,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C23H18N6O9S2.2Na,,,,,,WBEHSKIFRCQGTC-UHFFFAOYSA-L,,,,,,,,,,,
100.077.896,285-715-8,85135-94-0,Sodium 2-[4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]benzoyl]benzoate,sodium 2-{4-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]benzoyl}benzoate,[Na+].Oc3ccc(cc3N=Nc1c2ccccc2ccc1O)C(=O)c4ccccc4C([O-])=O,[Na+].Oc3ccc(cc3N=Nc1c2ccccc2ccc1O)C(=O)c4ccccc4C([O-])=O,"InChI=1/C24H16N2O5.Na/c27-20-11-10-15(23(29)17-7-3-4-8-18(17)24(30)31)13-19(20)25-26-22-16-6-2-1-5-14(16)9-12-21(22)28;/h1-13,27-28H,(H,30,31);/q;+1/p-1",C24H16N2O5.Na,,,,,,LXFQNVHCAKSDFT-UHFFFAOYSA-M,,,,,,,,,,,
100.077.901,285-721-0,85135-99-5,"Sodium 2,6-diaminotoluene-3-sulphonate","sodium 2,4-diamino-3-methylbenzenesulfonate",[Na+].Cc1c(N)ccc(c1N)S(=O)(=O)[O-],[Na+].Cc1c(N)ccc(c1N)S(=O)(=O)[O-],"InChI=1/C7H10N2O3S.Na/c1-4-5(8)2-3-6(7(4)9)13(10,11)12;/h2-3H,8-9H2,1H3,(H,10,11,12);/q;+1/p-1",C7H10N2O3S.Na,,,,,,BBGQOMSAZOPRBP-UHFFFAOYSA-M,,,,,,,,,,,
100.080.466,288-544-7,85750-18-1,"4-amino-5-hydroxy-6-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid","4-amino-5-hydroxy-6-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c5c(cc2S(O)(=O)=O)cc(c(N=Nc3cc(ccc3C)S(=O)(=O)Nc4ccccc4)c5O)S(O)(=O)=O,[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c5c(cc2S(O)(=O)=O)cc(c(N=Nc3cc(ccc3C)S(=O)(=O)Nc4ccccc4)c5O)S(O)(=O)=O,"InChI=1/C29H23N7O11S3/c1-16-7-12-21(48(40,41)35-19-5-3-2-4-6-19)15-22(16)32-34-28-24(50(45,46)47)14-17-13-23(49(42,43)44)27(26(30)25(17)29(28)37)33-31-18-8-10-20(11-9-18)36(38)39/h2-15,35,37H,30H2,1H3,(H,42,43,44)(H,45,46,47)",C29H23N7O11S3,,,,,,MAOJHXLOXSUVKT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.481,288-560-4,85750-33-0,5-methoxy-4-(morpholin-4-yl)-2-[(p-tolyl)thio]benzenediazonium tetrachlorozincate (2:1),bis{5-methoxy-2-[(4-methylphenyl)sulfanyl]-4-morpholin-4-ylbenzenediazonium} tetrachlorozincate(2-),COc1cc([N+]#N)c(Sc2ccc(C)cc2)cc1N3CCOCC3.COc4cc([N+]#N)c(Sc5ccc(C)cc5)cc4N6CCOCC6.Cl[Zn-2](Cl)(Cl)Cl,COc1cc([N+]#N)c(Sc2ccc(C)cc2)cc1N3CCOCC3.COc4cc([N+]#N)c(Sc5ccc(C)cc5)cc4N6CCOCC6.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C18H20N3O2S.4ClH.Zn/c2*1-13-3-5-14(6-4-13)24-18-12-16(21-7-9-23-10-8-21)17(22-2)11-15(18)20-19;;;;;/h2*3-6,11-12H,7-10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H20N3O2S.Cl4Zn/c2*1-13-3-5-14(6-4-13)24-18-12-16(21-7-9-23-10-8-21)17(22-2)11-15(18)20-19;1-5(2,3)4/h2*3-6,11-12H,7-10H2,1-2H3;/q2*+1;-2",C18H20N3O2S.1/2Cl4Zn,,,,,,ZVEQJUNMQYNOFX-UHFFFAOYSA-J,,,,,,,,,,,
100.079.990,288-019-2,85631-71-6,Hexatriacontan-17-ol,hexatriacontan-17-ol,CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCCC,"InChI=1/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-36(37)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3",C36H74O,,,,,,XFHYBLDFZAHMTK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.991,288-020-8,85631-72-7,"5-heptyl-1H-1,2,4-triazol-3-amine monohydrochloride","5-heptyl-4H-1,2,4-triazol-3-amine hydrochloride",Cl.CCCCCCCc1nnc(N)[nH]1,Cl.CCCCCCCc1nnc(N)[nH]1,"InChI=1/C9H18N4.ClH/c1-2-3-4-5-6-7-8-11-9(10)13-12-8;/h2-7H2,1H3,(H3,10,11,12,13);1H",C9H18N4.ClH,,,,,,PFSHUJFQNYUNLS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.482,288-562-5,85750-34-1,"N-[2,4-dioxo-4-(phenylamino)butyl]-3-hydroxynaphthalene-2-carboxamide","N-(4-anilino-2,4-dioxobutyl)-3-hydroxy-2-naphthamide",Oc1cc2ccccc2cc1C(=O)NCC(=O)CC(=O)Nc3ccccc3,Oc1cc2ccccc2cc1C(=O)NCC(=O)CC(=O)Nc3ccccc3,"InChI=1/C21H18N2O4/c24-17(12-20(26)23-16-8-2-1-3-9-16)13-22-21(27)18-10-14-6-4-5-7-15(14)11-19(18)25/h1-11,25H,12-13H2,(H,22,27)(H,23,26)",C21H18N2O4,,,,,,VVTRPYGBBSGKPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.483,288-563-0,85750-36-3,"2,5-diethoxy-4-[(phenylmethyl)amino]benzenediazonium tetrachlorozincate (2:1)","bis[4-(benzylamino)-2,5-diethoxybenzenediazonium] tetrachlorozincate(2-)",CCOc1cc([N+]#N)c(OCC)cc1NCc2ccccc2.CCOc3cc([N+]#N)c(OCC)cc3NCc4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,CCOc1cc([N+]#N)c(OCC)cc1NCc2ccccc2.CCOc3cc([N+]#N)c(OCC)cc3NCc4ccccc4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C17H20N3O2.4ClH.Zn/c2*1-3-21-16-11-15(20-18)17(22-4-2)10-14(16)19-12-13-8-6-5-7-9-13;;;;;/h2*5-11,19H,3-4,12H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H20N3O2.Cl4Zn/c2*1-3-21-16-11-15(20-18)17(22-4-2)10-14(16)19-12-13-8-6-5-7-9-13;1-5(2,3)4/h2*5-11,19H,3-4,12H2,1-2H3;/q2*+1;-2",C17H20N3O2.1/2Cl4Zn,,,,,,JGPAFURGSVRZPS-UHFFFAOYSA-J,,,,,,,,,,,
100.080.490,288-570-9,85760-92-5,"(S)-1-benzoyl-N,N-diethyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-diethyl-5-oxo-L-prolinamide",CCN(CC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,CCN(CC)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C16H20N2O3/c1-3-17(4-2)16(21)13-10-11-14(19)18(13)15(20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",C16H20N2O3,,,,,,BQWDCWDJASHHKV-ZDUSSCGKSA-N,,,,,,,,,,,
100.083.327,291-695-1,90459-51-1,"Octadecanoic acid, lead salt, basic",-,[Pb].OC(=O)CCCCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C18H36O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;;/q;+4;;/rC18H36O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H2/q;+4",-,,,,,,ONUFRYFLRFLSOM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.288,288-347-6,85711-84-8,"Oleic acid, compound with methyl-1H-benzotriazole (1:1)",octadec-9-enoic acid - 1-methyl-1H-benzotriazole (1:1),CCCCCCCC\\C=C/CCCCCCCC(=O)O.Cn1nnc2ccccc12,CCCCCCCC\C=C/CCCCCCCC(=O)O.Cn1nnc2ccccc12,"InChI=1/C18H34O2.C7H7N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-10-7-5-3-2-4-6(7)8-9-10/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H,1H3",C18H34O2.C7H7N3,,,,,,AWGDSNYDTODFJG-KVVVOXFISA-N,,,,,,,,,,,
100.080.294,288-353-9,85711-94-0,2-[(4-methoxyphenyl)methylene]heptan-1-al,2-(4-methoxybenzylidene)heptanal,COc1ccc(C=C(C=O)CCCCC)cc1,COc1ccc(C=C(C=O)CCCCC)cc1,"InChI=1/C15H20O2/c1-3-4-5-6-14(12-16)11-13-7-9-15(17-2)10-8-13/h7-12H,3-6H2,1-2H3",C15H20O2,,,,,,ULNWJBBIVSQKGC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.844,287-858-1,85586-54-5,3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexylamine,3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexanamine,CC1C(N)CCCC1CC2CCC(N)CC2,CC1C(N)CCCC1CC2CCC(N)CC2,"InChI=1/C14H28N2/c1-10-12(3-2-4-14(10)16)9-11-5-7-13(15)8-6-11/h10-14H,2-9,15-16H2,1H3",C14H28N2,,,,,,KSESQIMXKGVXPO-UHFFFAOYSA-N,,,,,,,,,,,
100.080.297,288-357-0,85711-98-4,"Succinic acid, compound with 2-(methylamino)ethanol (1:1)",2-(methylamino)ethanol succinate (salt),CNCCO.OC(=O)CCC(=O)O,CNCCO.OC(=O)CCC(=O)O,"InChI=1/C4H6O4.C3H9NO/c5-3(6)1-2-4(7)8;1-4-2-3-5/h1-2H2,(H,5,6)(H,7,8);4-5H,2-3H2,1H3",C4H6O4.C3H9NO,,,,,,RBPRFQYFADLPGL-UHFFFAOYSA-N,,,,,,,,,,,
100.080.299,288-359-1,85712-01-2,Bis(2-hydroxypropyl)methyl(octadecyl)ammonium methyl sulphate,N-[3-hydroxy-1-(2-hydroxypropyl)butyl]octadecan-1-aminium methyl sulfate,CCCCCCCCCCCCCCCCCC[NH2+]C(CC(C)O)CC(C)O.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[NH2+]C(CC(C)O)CC(C)O.COS(=O)(=O)[O-],"InChI=1/C25H53NO2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(21-23(2)27)22-24(3)28;1-5-6(2,3)4/h23-28H,4-22H2,1-3H3;1H3,(H,2,3,4)",C25H54NO2.CH3O4S,,,,,,BGRQFYCZFVMCKU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.059,285-895-8,85154-14-9,Dimethylbis[2-[(1-oxotetradecyl)oxy]ethyl]ammonium methyl phosphonate,"N,N-dimethyl-2-(tetradecanoyloxy)-N-[2-(tetradecanoyloxy)ethyl]ethanaminium methyl phosphonate",CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCC.COP(=O)[O-],CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCC.COP(=O)[O-],"InChI=1/C34H68NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-33(36)38-31-29-35(3,4)30-32-39-34(37)28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h5-32H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1",C34H68NO4.CH4O3P,,,,,,QOHOJGMDDSDXJN-UHFFFAOYSA-M,,,,,,,,,,,
100.078.066,285-904-5,85154-22-9,"Trimethyl-3,6,9,12-tetraazatetradecane-1,14-diamine","13,14-dimethyl-3,6,9,12-tetraazapentadecane-1,14-diamine",CC(NCCNCCNCCNCCN)C(C)(C)N,CC(NCCNCCNCCNCCN)C(C)(C)N,"InChI=1/C13H34N6/c1-12(13(2,3)15)19-11-10-18-9-8-17-7-6-16-5-4-14/h12,16-19H,4-11,14-15H2,1-3H3",C13H34N6,,,,,,KWWCPGKBUVGQAH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.068,285-906-6,85165-49-7,5-methyl-2-[1-methyl-1-(methylthio)ethyl]cyclohexan-1-one,5-methyl-2-[1-methyl-1-(methylsulfanyl)ethyl]cyclohexanone,CSC(C)(C)C1CCC(C)CC1=O,CSC(C)(C)C1CCC(C)CC1=O,"InChI=1/C11H20OS/c1-8-5-6-9(10(12)7-8)11(2,3)13-4/h8-9H,5-7H2,1-4H3",C11H20OS,,,,,,HJFSNLWDUINFTB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.162,302-525-3,94109-85-0,6-[[4-(diethylamino)-2-methoxyphenyl]azo]-3-methoxy-1-methylpyridazinium chloride,6-{[4-(diethylamino)-2-methoxyphenyl]diazenyl}-3-methoxy-1-methylpyridazin-1-ium chloride,[Cl-].COc2ccc(N=Nc1ccc(cc1OC)N(CC)CC)[n+](C)n2,[Cl-].COc2ccc(N=Nc1ccc(cc1OC)N(CC)CC)[n+](C)n2,"InChI=1/C17H24N5O2.ClH/c1-6-22(7-2)13-8-9-14(15(12-13)23-4)18-19-16-10-11-17(24-5)20-21(16)3;/h8-12H,6-7H2,1-5H3;1H/q+1;/p-1",C17H24N5O2.Cl,,,,,,CKAKYNSXMITSGB-UHFFFAOYSA-M,,,,,,,,,,,
100.093.166,302-530-0,94109-90-7,"1,1'-(dodecane-1,12-diyl)bis[2-amino-1,5-dihydro-4H-imidazol-4-one]","1,1'-dodecane-1,12-diylbis(2-amino-1,5-dihydro-4H-imidazol-4-one)",NC1=NC(=O)CN1CCCCCCCCCCCCN2CC(=O)N=C2N,NC1=NC(=O)CN1CCCCCCCCCCCCN2CC(=O)N=C2N,"InChI=1/C18H32N6O2/c19-17-21-15(25)13-23(17)11-9-7-5-3-1-2-4-6-8-10-12-24-14-16(26)22-18(24)20/h1-14H2,(H2,19,21,25)(H2,20,22,26)",C18H32N6O2,,,,,,OFVQFDHHQIACDB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.171,302-535-8,94109-95-2,"(Z)-2-pentenyl (2E,4Z)-2,4-decadienoate","pent-2-en-1-yl deca-2,4-dienoate",CCCCC\\C=C/C=C/C(=O)OC\\C=C/CC,CCCCC\C=C/C=C/C(=O)OC\C=C/CC,"InChI=1/C15H24O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h6,9-13H,3-5,7-8,14H2,1-2H3",C15H24O2,,,,,,WQRLQNWZYYQVAR-BFSZIFPZSA-N,,,,,,,,,,,
100.093.173,302-537-9,94109-97-4,(E)-hept-2-enyl isovalerate,hept-2-en-1-yl 3-methylbutanoate,CCCC\\C=C\\COC(=O)CC(C)C,CCCC\C=C\COC(=O)CC(C)C,"InChI=1/C12H22O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3",C12H22O2,,,,,,ACRNCNWXWBBKGP-BQYQJAHWSA-N,,,,,,,,,,,
100.093.189,302-555-7,94110-15-3,[2-hydroxy-3-[[(1-oxoallyl)amino]methoxy]propyl]trimethylammonium chloride,"3-[(acryloylamino)methoxy]-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride",[Cl-].C[N+](C)(C)CC(O)COCNC(=O)C=C,[Cl-].C[N+](C)(C)CC(O)COCNC(=O)C=C,"InChI=1/C10H20N2O3.ClH/c1-5-10(14)11-8-15-7-9(13)6-12(2,3)4;/h5,9,13H,1,6-8H2,2-4H3;1H",C10H21N2O3.Cl,,,,,,LNCULBSXNIPYON-UHFFFAOYSA-N,,,,,,,,,,,
100.093.191,302-557-8,94110-17-5,Diethylammonium octadecyl sulphate,N-ethylethanaminium octadecyl sulfate,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC,"InChI=1/C18H38O4S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-5-4-2/h2-18H2,1H3,(H,19,20,21);5H,3-4H2,1-2H3",C18H38O4S.C4H11N,,,,,,SDGWRBIFSZNMMS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.083,285-922-3,85168-81-6,"Heptachlorodiacenaphtho[1,2-j:1',2'-l]fluoranthene","1,2,3,4,5,6,7-heptachlorodiacenaphtho[1,2-j:1',2'-l]fluoranthene",Clc1ccc2cccc3c4c5c6cccc7cccc(c5c8c9c(Cl)c(Cl)c(Cl)c%10c(Cl)c(Cl)c(Cl)c(c8c4c1c23)c9%10)c67,Clc1ccc2cccc3c4c5c6cccc7cccc(c5c8c9c(Cl)c(Cl)c(Cl)c%10c(Cl)c(Cl)c(Cl)c(c8c4c1c23)c9%10)c67,InChI=1/C36H11Cl7/c37-17-11-10-13-6-3-9-16-19(13)23(17)24-22(16)20-14-7-1-4-12-5-2-8-15(18(12)14)21(20)25-26(24)29-27-28(25)31(38)35(42)33(40)30(27)34(41)36(43)32(29)39/h1-11H,C36H11Cl7,,,,,,FTGAEJSIBWVSII-UHFFFAOYSA-N,,,,,,,,,,,
100.078.084,285-923-9,85168-82-7,"Octachlorodiacenaphtho[1,2-j:1',2'-l]fluoranthene","1,2,3,4,5,6,7,8-octachlorodiacenaphtho[1,2-j:1',2'-l]fluoranthene",Clc1cc2cccc3c4c5c6cccc7cccc(c5c8c(c4c(c1Cl)c23)c9c(Cl)c(Cl)c(Cl)c%10c(Cl)c(Cl)c(Cl)c8c9%10)c67,Clc1cc2cccc3c4c5c6cccc7cccc(c5c8c(c4c(c1Cl)c23)c9c(Cl)c(Cl)c(Cl)c%10c(Cl)c(Cl)c(Cl)c8c9%10)c67,InChI=1/C36H10Cl8/c37-16-10-12-6-3-9-15-18(12)26(30(16)38)22-21(15)19-13-7-1-4-11-5-2-8-14(17(11)13)20(19)23-24(22)28-25-27(23)31(39)35(43)33(41)29(25)34(42)36(44)32(28)40/h1-10H,C36H10Cl8,,,,,,HBFUDAZFHLMERM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.088,285-928-6,85168-86-1,"2-ethoxy-1,1-dimethoxyethane","2-ethoxy-1,1-dimethoxyethane",CCOCC(OC)OC,CCOCC(OC)OC,"InChI=1/C6H14O3/c1-4-9-5-6(7-2)8-3/h6H,4-5H2,1-3H3",C6H14O3,,,,,,MLRHIIWKFRKPJB-UHFFFAOYSA-N,,,,,,,,,,,
100.079.259,287-216-0,85439-03-8,"2,2'-[(4-formyl-3-methylphenyl)imino]diethyl diacetate","[(4-formyl-3-methylphenyl)imino]diethane-2,1-diyl diacetate",CC(=O)OCCN(CCOC(=O)C)c1ccc(C=O)c(C)c1,CC(=O)OCCN(CCOC(=O)C)c1ccc(C=O)c(C)c1,"InChI=1/C16H21NO5/c1-12-10-16(5-4-15(12)11-18)17(6-8-21-13(2)19)7-9-22-14(3)20/h4-5,10-11H,6-9H2,1-3H3",C16H21NO5,,,,,,ZYVAZLMINRGIDY-UHFFFAOYSA-N,,,,,,,,,,,
100.079.473,287-450-3,85508-25-4,"3-hydroxy-2,2-dimethylhexyl butyrate","3-hydroxy-2,2-dimethylhexyl butyrate",CCCC(O)C(C)(C)COC(=O)CCC,CCCC(O)C(C)(C)COC(=O)CCC,"InChI=1/C12H24O3/c1-5-7-10(13)12(3,4)9-15-11(14)8-6-2/h10,13H,5-9H2,1-4H3",C12H24O3,,,,,,MILAEHMPRCLZIF-UHFFFAOYSA-N,,,,,,,,,,,
100.079.475,287-452-4,85508-27-6,4-[bis(2-ethylhexyl)amino]-4-oxo-2-butenoic acid,4-[bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid,O=C(C=CC(O)=O)N(CC(CC)CCCC)CC(CC)CCCC,O=C(C=CC(O)=O)N(CC(CC)CCCC)CC(CC)CCCC,"InChI=1/C20H37NO3/c1-5-9-11-17(7-3)15-21(19(22)13-14-20(23)24)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,23,24)",C20H37NO3,,,,,,NKMCVFGPISGASH-UHFFFAOYSA-N,,,,,,,,,,,
100.079.479,287-457-1,85508-31-2,N-piperidin-4-ylacetamide dihydrochloride,N-piperidin-4-ylacetamide dihydrochloride,Cl.Cl.CC(=O)NC1CCNCC1,Cl.Cl.CC(=O)NC1CCNCC1,"InChI=1/C7H14N2O.2ClH/c1-6(10)9-7-2-4-8-5-3-7;;/h7-8H,2-5H2,1H3,(H,9,10);2*1H",C7H14N2O.2ClH,,,,,,PWEOCMSJZDEYMW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.487,287-466-0,85508-41-4,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide","N-{2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(diallylamino)-4-methoxyphenyl}acetamide",Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC=C)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC=C)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H21ClN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)",C21H21ClN6O6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17656,https://echa.europa.eu/substance-information/-/substanceinfo/100.079.487,DKEXINVRFGWAKP-UHFFFAOYSA-N,,,,,,,,,,,
100.081.002,289-134-0,86014-86-0,(p-dodecylbenzyl)tris(2-hydroxyethyl)ammonium chloride,"N-(4-dodecylbenzyl)-2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium chloride",[Cl-].CCCCCCCCCCCCc1ccc(C[N+](CCO)(CCO)CCO)cc1,[Cl-].CCCCCCCCCCCCc1ccc(C[N+](CCO)(CCO)CCO)cc1,"InChI=1/C25H46NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-15-25(16-14-24)23-26(17-20-27,18-21-28)19-22-29;/h13-16,27-29H,2-12,17-23H2,1H3;1H/q+1;/p-1",C25H46NO3.Cl,,,,,,RBIHJOJBZXWDOQ-UHFFFAOYSA-M,,,,,,,,,,,
100.081.012,289-145-0,86047-53-2,2-[(1-methylethyl)thio]ethyl methacrylate,2-(isopropylsulfanyl)ethyl methacrylate,CC(C)SCCOC(=O)C(=C)C,CC(C)SCCOC(=O)C(=C)C,"InChI=1/C9H16O2S/c1-7(2)9(10)11-5-6-12-8(3)4/h8H,1,5-6H2,2-4H3",C9H16O2S,,,,,,NWGMUEAVJOBSEB-UHFFFAOYSA-N,,,,,,,,,,,
100.081.248,289-404-8,88331-08-2,N-(tert-butoxycarbonyl)glycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide,N-(tert-butoxycarbonyl)glycyl-3-(2-anilinopropanoyl)-4-nitro-L-prolinamide,C[C@H](Nc1ccccc1)C(=O)C2C(CN([C@@H]2C(=O)N)C(=O)CNC(=O)OC(C)(C)C)[N+](=O)[O-],C[C@H](Nc1ccccc1)C(=O)C2C(CN([C@@H]2C(=O)N)C(=O)CNC(=O)OC(C)(C)C)[N+](=O)[O-],"InChI=1/C21H29N5O7/c1-12(24-13-8-6-5-7-9-13)18(28)16-14(26(31)32)11-25(17(16)19(22)29)15(27)10-23-20(30)33-21(2,3)4/h5-9,12,14,16-17,24H,10-11H2,1-4H3,(H2,22,29)(H,23,30)",C21H29N5O7,,,,,,PVILUSKMXISZKF-XNPDXQRHSA-N,,,,,,,,,,,
100.079.276,287-234-9,85443-43-2,"Dodecahydro-3a,8,8-trimethylnaphtho[2,3-c]furan","3a,8,8-trimethyldodecahydronaphtho[2,3-c]furan",CC1(C)CCCC2CC3(C)COCC3CC12,CC1(C)CCCC2CC3(C)COCC3CC12,"InChI=1/C15H26O/c1-14(2)6-4-5-11-8-15(3)10-16-9-12(15)7-13(11)14/h11-13H,4-10H2,1-3H3",C15H26O,,,,,,IQITUVRKSXAERU-UHFFFAOYSA-N,,,,,,,,,,,
100.079.277,287-235-4,85443-44-3,"6'-(diethylamino)-2'-[[4-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","6'-(diethylamino)-2'-{[4-(trifluoromethyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)C(F)(F)F)cc3C25OC(=O)c6ccccc56)c1,CCN(CC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)C(F)(F)F)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C31H25F3N2O3/c1-3-36(4-2)22-14-15-25-28(18-22)38-27-16-13-21(35-20-11-9-19(10-12-20)31(32,33)34)17-26(27)30(25)24-8-6-5-7-23(24)29(37)39-30/h5-18,35H,3-4H2,1-2H3",C31H25F3N2O3,,,,,,ARPSHSAAMBZTRO-UHFFFAOYSA-N,,,,,,,,,,,
100.079.279,287-238-0,85443-46-5,"4,4',4'',4'''-(oxydimethylidyne)tetrakis[N,N-dimethylaniline]","4,4',4'',4'''-(oxydimethanetriyl)tetrakis(N,N-dimethylaniline)",CN(C)c1ccc(cc1)C(OC(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C,CN(C)c1ccc(cc1)C(OC(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C,"InChI=1/C34H42N4O/c1-35(2)29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)36(3)4)39-34(27-13-21-31(22-14-27)37(5)6)28-15-23-32(24-16-28)38(7)8/h9-24,33-34H,1-8H3",C34H42N4O,,,,,,JLPYHQCTDWGUAS-UHFFFAOYSA-N,,,,,,,,,,,
100.079.283,287-242-2,85443-50-1,1-mercaptopyrrolidin-2-one,1-sulfanylpyrrolidin-2-one,SN1CCCC1=O,SN1CCCC1=O,"InChI=1/C4H7NOS/c6-4-2-1-3-5(4)7/h7H,1-3H2",C4H7NOS,,,,,,WOQLPPITHNQPLR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.305,287-266-3,85455-30-7,4-[(2-hydroxy-1-naphthyl)methyl]salicylic acid,2-hydroxy-4-[(2-hydroxy-1-naphthyl)methyl]benzoic acid,OC(=O)c1ccc(Cc2c(O)ccc3ccccc23)cc1O,OC(=O)c1ccc(Cc2c(O)ccc3ccccc23)cc1O,"InChI=1/C18H14O4/c19-16-8-6-12-3-1-2-4-13(12)15(16)9-11-5-7-14(18(21)22)17(20)10-11/h1-8,10,19-20H,9H2,(H,21,22)",C18H14O4,,,,,,KATSLVVXUQLRFK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.906,285-726-8,85136-04-5,2-(p-methoxybenzyl)-2-methylpent-3-enal,2-(4-methoxybenzyl)-2-methylpent-3-enal,COc1ccc(CC(C)(C=O)C=CC)cc1,COc1ccc(CC(C)(C=O)C=CC)cc1,"InChI=1/C14H18O2/c1-4-9-14(2,11-15)10-12-5-7-13(16-3)8-6-12/h4-9,11H,10H2,1-3H3",C14H18O2,,,,,,BUBYHHZFOXNUOF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.912,285-733-6,85136-10-3,"3,6-dimethyl-3-vinylhept-5-en-2-ol","3,6-dimethyl-3-vinylhept-5-en-2-ol",CC(O)C(C)(CC=C(C)C)C=C,CC(O)C(C)(CC=C(C)C)C=C,"InChI=1/C11H20O/c1-6-11(5,10(4)12)8-7-9(2)3/h6-7,10,12H,1,8H2,2-5H3",C11H20O,,,,,,VLWIAHOZUQCLJS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.916,285-737-8,85136-14-7,"2,3-dihydroxypropyl 5-oxo-L-prolinate","2,3-dihydroxypropyl 5-oxo-L-prolinate",OCC(O)COC(=O)[C@@H]1CCC(=O)N1,OCC(O)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H13NO5/c10-3-5(11)4-14-8(13)6-1-2-7(12)9-6/h5-6,10-11H,1-4H2,(H,9,12)",C8H13NO5,,,,,,XWZPJRNVELUELY-GDVGLLTNSA-N,,,,,,,,,,,
100.077.920,285-742-5,85136-18-1,"5-oxo-DL-proline, compound with acetamidine (1:1)",5-oxo-L-proline - ethanimidamide (1:1),CC(=N)N.OC(=O)[C@@H]1CCC(=O)N1,CC(=N)N.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C2H6N2/c7-4-2-1-3(6-4)5(8)9;1-2(3)4/h3H,1-2H2,(H,6,7)(H,8,9);1H3,(H3,3,4)",C5H7NO3.C2H6N2,,,,,,QPYANTIYNWAIOO-DFWYDOINSA-N,,,,,,,,,,,
100.077.921,285-743-0,85136-19-2,"5-oxo-L-proline, compound with acetamidine (1:1)",5-oxo-L-proline - ethanimidamide (1:1),CC(=N)N.OC(=O)[C@@H]1CCC(=O)N1,CC(=N)N.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C2H6N2/c7-4-2-1-3(6-4)5(8)9;1-2(3)4/h3H,1-2H2,(H,6,7)(H,8,9);1H3,(H3,3,4)",C5H7NO3.C2H6N2,,,,,,QPYANTIYNWAIOO-DFWYDOINSA-N,,,,,,,,,,,
100.077.928,285-750-9,85136-26-1,"Disodium 4,4'-bis[[4-(3-chloro-2-hydroxypropoxy)phenyl]azo]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis(5-{[4-(3-chloro-2-hydroxypropoxy)phenyl]diazenyl}benzenesulfonate)",[Na+].[Na+].ClCC(O)COc1ccc(cc1)N=Nc4ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)N=Nc3ccc(OCC(O)CCl)cc3)c(c4)S([O-])(=O)=O,[Na+].[Na+].ClCC(O)COc1ccc(cc1)N=Nc4ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)N=Nc3ccc(OCC(O)CCl)cc3)c(c4)S([O-])(=O)=O,"InChI=1/C32H30Cl2N4O10S2.2Na/c33-17-27(39)19-47-29-11-7-23(8-12-29)35-37-25-5-3-21(31(15-25)49(41,42)43)1-2-22-4-6-26(16-32(22)50(44,45)46)38-36-24-9-13-30(14-10-24)48-20-28(40)18-34;;/h1-16,27-28,39-40H,17-20H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",C32H30Cl2N4O10S2.2Na,,,,,,GFJFEEUXJOGYSX-JFIZIBHASA-L,,,,,,,,,,,
100.077.936,285-759-8,85136-35-2,"4-(tert-butyl)cyclohexyl 3,3-dimethylbutyrate","4-tert-butylcyclohexyl 3,3-dimethylbutanoate",CC(C)(C)CC(=O)OC1CCC(CC1)C(C)(C)C,CC(C)(C)CC(=O)OC1CCC(CC1)C(C)(C)C,"InChI=1/C16H30O2/c1-15(2,3)11-14(17)18-13-9-7-12(8-10-13)16(4,5)6/h12-13H,7-11H2,1-6H3",C16H30O2,,,,,,LPQUATADXCTKFO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.939,285-762-4,85136-38-5,"6,10-dimethylundec-10-en-2-one","6,10-dimethylundec-10-en-2-one",CC(CCCC(=C)C)CCCC(=O)C,CC(CCCC(=C)C)CCCC(=O)C,"InChI=1/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h12H,1,5-10H2,2-4H3",C13H24O,,,,,,CGOWGZULHZMBBC-UHFFFAOYSA-N,,,,,,,,,,,
100.077.942,285-766-6,85136-41-0,Sodium 8-[(2-hydroxy-1-naphthyl)azo]naphthalene-2-sulphonate,sodium 8-[(2-hydroxy-1-naphthyl)diazenyl]naphthalene-2-sulfonate,[Na+].[O-]S(=O)(=O)c1cc4c(cc1)cccc4N=Nc2c3ccccc3ccc2O,[Na+].[O-]S(=O)(=O)c1cc4c(cc1)cccc4N=Nc2c3ccccc3ccc2O,"InChI=1/C20H14N2O4S.Na/c23-19-11-9-13-4-1-2-6-16(13)20(19)22-21-18-7-3-5-14-8-10-15(12-17(14)18)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1",C20H14N2O4S.Na,,,,,,KLDJASJUZOFMPP-UHFFFAOYSA-M,,,,,,,,,,,
100.077.944,285-768-7,85136-43-2,"Trisodium 4-amino-5-hydroxy-3-[[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-[(4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}phenyl)diazenyl]-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].CC(=O)C(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4O)S([O-])(=O)=O)C(=O)Nc5ccccc5,[Na+].[Na+].[Na+].CC(=O)C(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c4O)S([O-])(=O)=O)C(=O)Nc5ccccc5,"InChI=1/C32H26N8O12S3.3Na/c1-17(41)28(32(43)34-19-5-3-2-4-6-19)38-35-20-7-9-21(10-8-20)36-39-29-24(54(47,48)49)15-18-16-25(55(50,51)52)30(31(42)26(18)27(29)33)40-37-22-11-13-23(14-12-22)53(44,45)46;;;/h2-16,28,42H,33H2,1H3,(H,34,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3",C32H26N8O12S3.3Na,,,,,,UAKFNVZZXUDUQS-UHFFFAOYSA-K,,,,,,,,,,,
100.077.951,285-776-0,85136-52-3,"1,2,4-trichloro-9-methyl-7-[(p-tolyl)amino]-3H-phenothiazin-3-one","1,2,4-trichloro-9-methyl-7-[(4-methylphenyl)amino]-3H-phenothiazin-3-one",Cc1ccc(Nc2cc(C)c3N=C4C(=C(Cl)C(=O)C(=C4Sc3c2)Cl)Cl)cc1,Cc1ccc(Nc2cc(C)c3N=C4C(=C(Cl)C(=O)C(=C4Sc3c2)Cl)Cl)cc1,"InChI=1/C20H13Cl3N2OS/c1-9-3-5-11(6-4-9)24-12-7-10(2)17-13(8-12)27-20-16(23)19(26)15(22)14(21)18(20)25-17/h3-8,24H,1-2H3",C20H13Cl3N2OS,,,,,,MQWKHVCAEZHWAW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.957,285-782-3,85136-58-9,"3,6,9,12,15-pentaoxaheptadecane-1,17-diyl diacrylate","19-oxo-3,6,9,12,15,18-hexaoxahenicos-20-en-1-yl acrylate (non-preferred name)",C=CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)C=C,C=CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)C=C,"InChI=1/C18H30O9/c1-3-17(19)26-15-13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-16-27-18(20)4-2/h3-4H,1-2,5-16H2",C18H30O9,,,,,,DMMSYVRRDYJQSI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.302,288-362-8,85712-04-5,"3,4-dimethylheptan-1-ol","3,4-dimethylheptan-1-ol",CCCC(C)C(C)CCO,CCCC(C)C(C)CCO,"InChI=1/C9H20O/c1-4-5-8(2)9(3)6-7-10/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,TZWSLANDWSEXRD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.323,288-385-3,85720-79-2,"2,3-dichloro-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane","2,3-dichloro-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane",FC(F)(F)C(F)(Cl)C(F)(Cl)C(F)(C(F)(F)F)C(F)(F)F,FC(F)(F)C(F)(Cl)C(F)(Cl)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C6Cl2F12/c7-2(10,3(8,11)6(18,19)20)1(9,4(12,13)14)5(15,16)17",C6Cl2F12,,,,,,DAKPRHAAVFWCOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.325,288-387-4,85720-81-6,"2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane","1,2-dichloro-1,2,2-trifluoroethyl 1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ether",FC(F)(F)C(F)(OC(F)(Cl)C(F)(F)Cl)C(F)(F)F,FC(F)(F)C(F)(OC(F)(Cl)C(F)(F)Cl)C(F)(F)F,"InChI=1/C5Cl2F10O/c6-2(9,10)3(7,11)18-1(8,4(12,13)14)5(15,16)17",C5Cl2F10O,,,,,,ZLYQMQIBEIPMSS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.326,288-389-5,85720-82-7,"1-bromo-2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethane","1-bromo-2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethane",FC(F)(Cl)C(F)(Cl)OC(F)(F)C(F)(F)Br,FC(F)(Cl)C(F)(Cl)OC(F)(F)C(F)(F)Br,"InChI=1/C4BrCl2F7O/c5-1(8,9)4(13,14)15-3(7,12)2(6,10)11",C4BrCl2F7O,,,,,,NGNRMWPNTBTVNN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.327,288-390-0,85720-83-8,"1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoro-2-iodoethane","1,2-dichloro-1,1,2-trifluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethane",FC(F)(Cl)C(F)(Cl)OC(F)(F)C(F)(F)I,FC(F)(Cl)C(F)(Cl)OC(F)(F)C(F)(F)I,"InChI=1/C4Cl2F7IO/c5-1(7,8)2(6,9)15-4(12,13)3(10,11)14",C4Cl2F7IO,,,,,,MAWWERMLNIJXTR-UHFFFAOYSA-N,,,,,,,,,,,
100.080.328,288-391-6,85720-84-9,2-(4-tert-butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate,2-(4-tert-butyl-2-cyclopentylphenoxy)-1-methylethyl chlorocarbonate,CC(COc1ccc(cc1C2CCCC2)C(C)(C)C)OC(=O)Cl,CC(COc1ccc(cc1C2CCCC2)C(C)(C)C)OC(=O)Cl,"InChI=1/C19H27ClO3/c1-13(23-18(20)21)12-22-17-10-9-15(19(2,3)4)11-16(17)14-7-5-6-8-14/h9-11,13-14H,5-8,12H2,1-4H3",C19H27ClO3,,,,,,SDTYWAICBVIOKU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.336,288-400-3,85720-92-9,"5-amino-2-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]benzoic acid","5-amino-2-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid",O=C2N\\N=C(\\C)C2N=Nc1ccc(N)cc1C(O)=O,O=C2N\N=C(\C)C2N=Nc1ccc(N)cc1C(O)=O,"InChI=1/C11H11N5O3/c1-5-9(10(17)16-13-5)15-14-8-3-2-6(12)4-7(8)11(18)19/h2-4,9H,12H2,1H3,(H,16,17)(H,18,19)",C11H11N5O3,,,,,,WQRZBPGAKFJRGU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.338,288-402-4,85720-94-1,"5-[[4-[[4-[(8-hydroxy-3,6-disulpho-1-naphthyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylic acid","5-{[4-({4-anilino-6-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-1,3,5-triazin-2-yl}amino)phenyl]diazenyl}-2-hydroxybenzoic acid",OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc4nc(nc(Nc3ccccc3)n4)Nc6cc(cc5cc(cc(O)c56)S(O)(=O)=O)S(O)(=O)=O,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc4nc(nc(Nc3ccccc3)n4)Nc6cc(cc5cc(cc(O)c56)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C32H24N8O10S2/c41-26-11-10-21(14-24(26)29(43)44)40-39-20-8-6-19(7-9-20)34-31-36-30(33-18-4-2-1-3-5-18)37-32(38-31)35-25-15-22(51(45,46)47)12-17-13-23(52(48,49)50)16-27(42)28(17)25/h1-16,41-42H,(H,43,44)(H,45,46,47)(H,48,49,50)(H3,33,34,35,36,37,38)",C32H24N8O10S2,,,,,,MHYHRDHKLQCNPM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.853,287-868-6,85586-63-6,"5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine","5-(4-aminobenzyl)-2-methylbenzene-1,3-diamine",Cc1c(N)cc(Cc2ccc(N)cc2)cc1N,Cc1c(N)cc(Cc2ccc(N)cc2)cc1N,"InChI=1/C14H17N3/c1-9-13(16)7-11(8-14(9)17)6-10-2-4-12(15)5-3-10/h2-5,7-8H,6,15-17H2,1H3",C14H17N3,,,,,,SJRPHAACXLIGMI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.860,287-875-4,85586-70-5,"2,6-bis(1-methyl-1-phenylethyl)-4-nonylphenol","2,6-bis(1-methyl-1-phenylethyl)-4-nonylphenol",CCCCCCCCCc1cc(c(O)c(c1)C(C)(C)c2ccccc2)C(C)(C)c3ccccc3,CCCCCCCCCc1cc(c(O)c(c1)C(C)(C)c2ccccc2)C(C)(C)c3ccccc3,"InChI=1/C33H44O/c1-6-7-8-9-10-11-14-19-26-24-29(32(2,3)27-20-15-12-16-21-27)31(34)30(25-26)33(4,5)28-22-17-13-18-23-28/h12-13,15-18,20-25,34H,6-11,14,19H2,1-5H3",C33H44O,,,,,,SJNUIPWTKYVVGI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.863,287-879-6,85586-73-8,"4-hydroxy-3,3-bis(hydroxymethyl)butyraldehyde","4-hydroxy-3,3-bis(hydroxymethyl)butanal",OCC(CO)(CO)CC=O,OCC(CO)(CO)CC=O,"InChI=1/C6H12O4/c7-2-1-6(3-8,4-9)5-10/h2,8-10H,1,3-5H2",C6H12O4,,,,,,SNBWCDIAEFVYLF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.099,285-940-1,85168-97-4,"1-[[[5-[(2-hydroxypropyl)amino]-1,3,3-trimethylcyclohexyl]methyl]amino]propan-2-ol","1-[(3-{[(2-hydroxypropyl)amino]methyl}-3,5,5-trimethylcyclohexyl)amino]propan-2-ol",CC(O)CNCC1(C)CC(CC(C)(C)C1)NCC(C)O,CC(O)CNCC1(C)CC(CC(C)(C)C1)NCC(C)O,"InChI=1/C16H34N2O2/c1-12(19)8-17-11-16(5)7-14(18-9-13(2)20)6-15(3,4)10-16/h12-14,17-20H,6-11H2,1-5H3",C16H34N2O2,,,,,,JTURHGQTASTBFY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.103,285-944-3,85169-01-3,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium thiocyanate,3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium thiocyanate,CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.[S-]C#N,CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.[S-]C#N,"InChI=1/C15H16N3S.CHNS/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;2-1-3/h4-9,16H,1-3H3;3H/q+1;/p-1",C15H16N3S.CNS,,,,,,JDWDPHMDAOSSGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.078.106,285-948-5,85169-04-6,N-[2-(diethylamino)ethyl]-2-methoxy-4-nitrobenzamide monohydrochloride,N-[2-(diethylamino)ethyl]-2-methoxy-4-nitrobenzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1ccc(cc1OC)[N+](=O)[O-],Cl.CCN(CC)CCNC(=O)c1ccc(cc1OC)[N+](=O)[O-],"InChI=1/C14H21N3O4.ClH/c1-4-16(5-2)9-8-15-14(18)12-7-6-11(17(19)20)10-13(12)21-3;/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,18);1H",C14H21N3O4.ClH,,,,,,JNMIIFCQCUVHIE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.205,302-573-5,94113-40-3,N-[2-[(2-aminoethyl)amino]ethyl]myristamide monoacetate,N-{2-[(2-aminoethyl)amino]ethyl}tetradecanamide acetate,CCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O,CCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O,"InChI=1/C18H39N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)21-17-16-20-15-14-19;1-2(3)4/h20H,2-17,19H2,1H3,(H,21,22);1H3,(H,3,4)",C18H39N3O.C2H4O2,,,,,,CHXXMRQMCKXMMB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.217,302-586-6,94113-52-7,"2,8-dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide","2,8-dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide",[O-][N+](=O)c1ccc2c(c1)N=C(c3ccccc3)c4cc(ccc4S2=O)[N+](=O)[O-],[O-][N+](=O)c1ccc2c(c1)N=C(c3ccccc3)c4cc(ccc4S2=O)[N+](=O)[O-],InChI=1/C19H11N3O5S/c23-21(24)13-6-8-17-15(10-13)19(12-4-2-1-3-5-12)20-16-11-14(22(25)26)7-9-18(16)28(17)27/h1-11H,C19H11N3O5S,,,,,,CQRMCOMDICABOL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.218,302-587-1,94113-53-8,(diphenylarsino)dimethylgallium,(diphenylarsino)(dimethyl)gallium,C[Ga](C)[As](c1ccccc1)c2ccccc2,C[Ga](C)[As](c1ccccc1)c2ccccc2,"InChI=1/C12H10As.2CH3.Ga/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1-10H;2*1H3;/q-1;;;+1/rC14H16AsGa/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3",C14H16AsGa,,,,,,UHJHAVIAOTYGPP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.223,302-592-9,94113-58-3,"N,N'-[[(2-chloro-2-hydroxyethyl)imino]bis(ethane-1,2-diyliminoethane-1,2-diyl)]distearamide","N-[6-(2-chloro-2-hydroxyethyl)-13-oxo-3,6,9,12-tetraazatriacont-1-yl]octadecanamide (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)NCCNCCN(CCNCCNC(=O)CCCCCCCCCCCCCCCCC)CC(O)Cl,CCCCCCCCCCCCCCCCCC(=O)NCCNCCN(CCNCCNC(=O)CCCCCCCCCCCCCCCCC)CC(O)Cl,"InChI=1/C46H94ClN5O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)50-37-35-48-39-41-52(43-44(47)53)42-40-49-36-38-51-46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44,48-49,53H,3-43H2,1-2H3,(H,50,54)(H,51,55)",C46H94ClN5O3,,,,,,XAHDNAHCMDTAQF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.224,302-593-4,94113-59-4,"Disodium 4-[2,2-bis(hydroxymethyl)-3-[(1-oxooctadeca-9,12,15-trienyl)oxy]propyl] 2-sulphonatosuccinate","disodium 4-{3-hydroxy-2-(hydroxymethyl)-2-[(octadeca-9,12,15-trienoyloxy)methyl]propoxy}-4-oxo-2-sulfonatobutanoate",[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC=CCC=CCC=CCC)C(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC=CCC=CCC=CCC)C(=O)[O-],"InChI=1/C27H44O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h3-4,6-7,9-10,23,28-29H,2,5,8,11-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2",C27H44O11S.2Na,,,,,,NNAPJFGRZUSHRW-UHFFFAOYSA-L,,,,,,,,,,,
100.093.225,302-595-5,94113-60-7,"Disodium 4-[2,2-bis(hydroxymethyl)-3-[(1-oxohexadecyl)oxy]propyl] 2-sulphonatosuccinate",disodium 4-{3-hydroxy-2-(hydroxymethyl)-2-[(palmitoyloxy)methyl]propoxy}-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C25H46O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(28)35-19-25(17-26,18-27)20-36-23(29)16-21(24(30)31)37(32,33)34;;/h21,26-27H,2-20H2,1H3,(H,30,31)(H,32,33,34);;/q;2*+1/p-2",C25H46O11S.2Na,,,,,,JQGNQHXGKLJAPJ-UHFFFAOYSA-L,,,,,,,,,,,
100.090.000,299-048-5,93841-76-0,"Decasodium [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",decasodium [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.10Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;;;;/q;10*+1/p-10",C9H28N3O15P5.10Na,,,,,,PZWNKBUDRGSEOU-UHFFFAOYSA-D,,,,,,,,,,,
100.090.004,299-052-7,93841-80-6,"1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one monohydroiodide","1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one hydroiodide",I.CN1N(C(=O)C=C1C)c2ccccc2,I.CN1N(C(=O)C=C1C)c2ccccc2,"InChI=1/C11H12N2O.HI/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;/h3-8H,1-2H3;1H",C11H12N2O.HI,,,,,,OUILJQAXEZLLBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.049,289-185-9,86089-17-0,"Tridecylamine, branched and linear",8-ethylundecan-1-amine,CCCC(CC)CCCCCCCN,CCCC(CC)CCCCCCCN,"InChI=1/C13H29N/c1-3-10-13(4-2)11-8-6-5-7-9-12-14/h13H,3-12,14H2,1-2H3",C13H29N,Full,Joint,Tonnage Data Confidential,https://echa.europa.eu/registration-dossier/-/registered-dossier/10919,https://echa.europa.eu/substance-information/-/substanceinfo/100.081.049,KFBNTNYCQVDLBK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.313,287-275-2,85455-40-9,6-amino-5-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid,6-amino-5-({2-[ethyl(phenyl)sulfamoyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c3ccc(cc3ccc2N)S(O)(=O)=O,CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c3ccc(cc3ccc2N)S(O)(=O)=O,"InChI=1/C24H22N4O5S2/c1-2-28(18-8-4-3-5-9-18)34(29,30)23-11-7-6-10-22(23)26-27-24-20-14-13-19(35(31,32)33)16-17(20)12-15-21(24)25/h3-16H,2,25H2,1H3,(H,31,32,33)",C24H22N4O5S2,,,,,,XWMUFRYUSVOFIR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.314,287-276-8,85455-41-0,"Disodium 5-(acetylamino)-4-hydroxy-3-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","disodium 5-acetamido-4-hydroxy-3-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2,7-disulfonate",[Na+].[Na+].O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc4,[Na+].[Na+].O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc4,"InChI=1/C25H22N4O10S3.2Na/c1-14-8-9-18(40(32,33)29-17-6-4-3-5-7-17)12-20(14)27-28-24-22(42(37,38)39)11-16-10-19(41(34,35)36)13-21(26-15(2)30)23(16)25(24)31;;/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C25H22N4O10S3.2Na,,,,,,RTRHLOYNAHGFKB-UHFFFAOYSA-L,,,,,,,,,,,
100.079.328,287-292-5,85455-56-7,"Trisodium 3-[[6-[[4-chloro-6-[phenyl(sulphonatomethyl)amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoate","trisodium 3-{[6-({4-chloro-6-[phenyl(sulfonatomethyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}benzoate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1cc(ccc1)C([O-])=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CS([O-])(=O)=O)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1cc(ccc1)C([O-])=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CS([O-])(=O)=O)c5ccccc5,"InChI=1/C27H20ClN7O9S2.3Na/c28-25-30-26(32-27(31-25)35(14-45(39,40)41)19-7-2-1-3-8-19)29-17-9-10-20-16(12-17)13-21(46(42,43)44)22(23(20)36)34-33-18-6-4-5-15(11-18)24(37)38;;;/h1-13,36H,14H2,(H,37,38)(H,39,40,41)(H,42,43,44)(H,29,30,31,32);;;/q;3*+1/p-3",C27H20ClN7O9S2.3Na,,,,,,PGXIHDHBJKQSJW-UHFFFAOYSA-K,,,,,,,,,,,
100.079.331,287-295-1,85455-59-0,"Trisodium 7-[[4-chloro-6-[phenyl(sulphonatomethyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-({4-chloro-6-[phenyl(sulfonatomethyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CS([O-])(=O)=O)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CS([O-])(=O)=O)c5ccccc5,"InChI=1/C27H22ClN7O11S3.3Na/c1-46-18-8-10-20(21(13-18)48(40,41)42)33-34-23-22(49(43,44)45)12-15-11-16(7-9-19(15)24(23)36)29-26-30-25(28)31-27(32-26)35(14-47(37,38)39)17-5-3-2-4-6-17;;;/h2-13,36H,14H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",C27H22ClN7O11S3.3Na,,,,,,WIZBPMQAMJNOHO-UHFFFAOYSA-K,,,,,,,,,,,
100.079.337,287-301-2,85455-67-0,"Bis(2-ethylhexyl) hydrogen phosphate, compound with ethylenediamine (2:1)","bis(2-ethylhexyl) hydrogen phosphate - ethane-1,2-diamine (2:1)",CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.NCCN,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.NCCN,"InChI=1/2C16H35O4P.C2H8N2/c2*1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;3-1-2-4/h2*15-16H,5-14H2,1-4H3,(H,17,18);1-4H2",C16H35O4P.1/2C2H8N2,,,,,,DIACQUKIQVEDEP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.338,287-302-8,85455-68-1,"2-ethylhexyl dihydrogen phosphate, compound with ethylenediamine (1:1)","2-ethylhexyl dihydrogen phosphate - ethane-1,2-diamine (1:1)",CCCCC(COP(O)(O)=O)CC.NCCN,CCCCC(COP(O)(O)=O)CC.NCCN,"InChI=1/C8H19O4P.C2H8N2/c1-3-5-6-8(4-2)7-12-13(9,10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H2,9,10,11);1-4H2",C8H19O4P.C2H8N2,,,,,,KICMHOURSHLMER-UHFFFAOYSA-N,,,,,,,,,,,
100.077.878,285-696-6,85118-41-8,Tridocosyl phosphite,tridocosyl phosphite,CCCCCCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C66H135O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70(68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-66H2,1-3H3",C66H135O3P,,,,,,IYUQKHLKDBLAGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.883,285-701-1,85135-80-4,"17,21-dihydroxypregn-4-ene-3,11,20-trione 21-pivalate","17-hydroxy-3,11,20-trioxopregn-4-en-21-yl pivalate",CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-18,21,31H,6-11,13-14H2,1-5H3",C26H36O6,,,,,,VHNVULANWDGFPT-MOAAPXTLSA-N,,,,,,,,,,,
100.077.958,285-783-9,85136-59-0,"3,6,9,12,15,18-hexaoxaicosane-1,20-diyl diacrylate","22-oxo-3,6,9,12,15,18,21-heptaoxatetracos-23-en-1-yl acrylate (non-preferred name)",C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)C=C,C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)C=C,"InChI=1/C20H34O10/c1-3-19(21)29-17-15-27-13-11-25-9-7-23-5-6-24-8-10-26-12-14-28-16-18-30-20(22)4-2/h3-4H,1-2,5-18H2",C20H34O10,,,,,,PVZDCNHDGLMRSP-UHFFFAOYSA-N,,,,,,,,,,,
100.077.961,285-787-0,85136-62-5,"2-[[[[[3-[[[2,2-bis[[(1-oxoallyl)oxy]methyl]butoxy]carbonyl]amino]-3,5,5-trimethylcyclohexyl]amino]carbonyl]oxy]methyl]-2-ethylpropane-1,3-diyl diacrylate","2-[(acryloyloxy)methyl]-2-{[({3-[({2,2-bis[(acryloyloxy)methyl]butoxy}carbonyl)amino]-3,5,5-trimethylcyclohexyl}carbamoyl)oxy]methyl}butyl acrylate (non-preferred name)",CCC(COC(=O)NC1CC(C)(C)CC(C)(C1)NC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,CCC(COC(=O)NC1CC(C)(C)CC(C)(C1)NC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C35H52N2O12/c1-10-26(38)44-19-34(14-5,20-45-27(39)11-2)23-48-30(42)36-25-16-32(7,8)18-33(9,17-25)37-31(43)49-24-35(15-6,21-46-28(40)12-3)22-47-29(41)13-4/h10-13,25H,1-4,14-24H2,5-9H3,(H,36,42)(H,37,43)",C35H52N2O12,,,,,,VGWHIXMKBIUOEE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.969,285-795-4,85136-70-5,"2-[[[[[3-[[[3-hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propoxy]carbonyl]amino]methylphenyl]amino]carbonyl]oxy]methyl]-2-(hydroxymethyl)-1,3-propanediyl diacrylate",3-(acryloyloxy)-2-[({[3-({[3-(acryloyloxy)-2-[(acryloyloxy)methyl]-2-(hydroxymethyl)propoxy]carbonyl}amino)benzyl]carbamoyl}oxy)methyl]-2-(hydroxymethyl)propyl acrylate (non-preferred name),OCC(COC(=O)NCc1cccc(NC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)c1)(COC(=O)C=C)COC(=O)C=C,OCC(COC(=O)NCc1cccc(NC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)c1)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C31H38N2O14/c1-5-24(36)42-16-30(14-34,17-43-25(37)6-2)20-46-28(40)32-13-22-10-9-11-23(12-22)33-29(41)47-21-31(15-35,18-44-26(38)7-3)19-45-27(39)8-4/h5-12,34-35H,1-4,13-21H2,(H,32,40)(H,33,41)",C31H38N2O14,,,,,,KDFMKRGEYHXTOB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.970,285-797-5,85153-19-1,"(8a,9R)-10,11-dihydro-6'-methoxycinchonan-9-ol monohydrobromide","6'-methoxy-10,11-dihydrocinchonan-9-ol hydrobromide",Br.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34,Br.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34,"InChI=1/C20H26N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H",C20H26N2O2.BrH,,,,,,BKKQYYLUFOIOJF-DSXUQNDKSA-N,,,,,,,,,,,
100.077.971,285-798-0,85153-20-4,"Disodium 5-[[4'-[[6-amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-methylsalicylate","disodium 5-[(4'-{[6-amino-5-(1H-benzotriazol-4-yldiazenyl)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-3,3'-dimethoxybiphenyl-4-yl)diazenyl]-2-hydroxy-4-methylbenzoate",[Na+].[Na+].[O-]C(=O)c7cc(N=Nc1ccc(cc1OC)c6ccc(N=Nc5c(cc4c(ccc(N)c4N=Nc3cccc2nnnc23)c5O)S([O-])(=O)=O)c(OC)c6)c(C)cc7O,[Na+].[Na+].[O-]C(=O)c7cc(N=Nc1ccc(cc1OC)c6ccc(N=Nc5c(cc4c(ccc(N)c4N=Nc3cccc2nnnc23)c5O)S([O-])(=O)=O)c(OC)c6)c(C)cc7O,"InChI=1/C38H30N10O9S.2Na/c1-18-13-30(49)23(38(51)52)16-29(18)43-40-25-11-7-19(14-31(25)56-2)20-8-12-26(32(15-20)57-3)41-46-36-33(58(53,54)55)17-22-21(37(36)50)9-10-24(39)34(22)45-42-27-5-4-6-28-35(27)47-48-44-28;;/h4-17,49-50H,39H2,1-3H3,(H,51,52)(H,44,47,48)(H,53,54,55);;/q;2*+1/p-2",C38H30N10O9S.2Na,,,,,,HIIFZXBQAARDAL-UHFFFAOYSA-L,,,,,,,,,,,
100.077.977,285-805-7,85153-26-0,"N,N'-[(5,13-dihydro-5,13-dioxoaceanthryleno[2,1-a]aceanthrylene-6,14-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)","N,N'-{(5,13-dioxo-5,13-dihydroaceanthryleno[2,1-a]aceanthrylene-6,14-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide",O=C(Nc1ccc(Nc2ccc3C4=C5c6ccccc6C(=O)c7c(Nc8ccc(NC(=O)c9ccccc9)c%10C(=O)c%11ccccc%11C(=O)c8%10)ccc(C4=C%12c%13ccccc%13C(=O)c2c3%12)c57)c%14C(=O)c%15ccccc%15C(=O)c1%14)c%16ccccc%16,O=C(Nc1ccc(Nc2ccc3C4=C5c6ccccc6C(=O)c7c(Nc8ccc(NC(=O)c9ccccc9)c%10C(=O)c%11ccccc%11C(=O)c8%10)ccc(C4=C%12c%13ccccc%13C(=O)c2c3%12)c57)c%14C(=O)c%15ccccc%15C(=O)c1%14)c%16ccccc%16,"InChI=1/C72H38N4O8/c77-65-39-21-9-7-19-37(39)53-56-46-28-30-48(74-50-32-34-52(76-72(84)36-17-5-2-6-18-36)64-62(50)68(80)42-24-12-14-26-44(42)70(64)82)60-58(46)54(38-20-8-10-22-40(38)66(60)78)55(56)45-27-29-47(59(65)57(45)53)73-49-31-33-51(75-71(83)35-15-3-1-4-16-35)63-61(49)67(79)41-23-11-13-25-43(41)69(63)81/h1-34,73-74H,(H,75,83)(H,76,84)",C72H38N4O8,,,,,,YVCNVVZBDZOBDU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.983,285-812-5,85153-32-8,[2-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propoxy]-2-oxoethyl]dimethyloctadecylammonium chloride,"N-{2-[2-hydroxy-3-(stearoyloxy)propoxy]-2-oxoethyl}-N,N-dimethyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C43H86NO5.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(3,4)38-43(47)49-40-41(45)39-48-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h41,45H,5-40H2,1-4H3;1H/q+1;/p-1",C43H86NO5.Cl,,,,,,UYXPCBDGIPYWII-UHFFFAOYSA-M,,,,,,,,,,,
100.077.985,285-814-6,85153-34-0,Trimethyloctylammonium dimethyl phosphate,"N,N,N-trimethyloctan-1-aminium dimethyl phosphate",CCCCCCCC[N+](C)(C)C.COP(=O)([O-])OC,CCCCCCCC[N+](C)(C)C.COP(=O)([O-])OC,"InChI=1/C11H26N.C2H7O4P/c1-5-6-7-8-9-10-11-12(2,3)4;1-5-7(3,4)6-2/h5-11H2,1-4H3;1-2H3,(H,3,4)/q+1;/p-1",C11H26N.C2H6O4P,,,,,,WCLHBKHYFYPXRV-UHFFFAOYSA-M,,,,,,,,,,,
100.079.870,287-886-4,85586-80-7,"Tetrasodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-6-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate","tetrasodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-6-sulfonato-1-naphthyl}diazenyl)-7-sulfonato-1-naphthyl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2cc(ccc23)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3ccc(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c2cc(ccc23)S([O-])(=O)=O)c4ccc(cc45)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-21-6-7-22(17-4-1-14(11-19(17)21)52(40,41)42)36-37-23-8-9-24(20-12-15(53(43,44)45)2-5-18(20)23)38-39-25-13-16(54(46,47)48)3-10-26(25)55(49,50)51;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4",C29H20ClN9O12S4.4Na,,,,,,ZARJTTAIMXRCED-UHFFFAOYSA-J,,,,,,,,,,,
100.081.377,289-547-6,89923-57-9,6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triazen-1-yl]benzothiazolium methyl sulphate,"6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triaz-1-en-1-yl]-1,3-benzothiazol-3-ium methyl sulfate",[O-]S(=O)(=O)OC.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]S(=O)(=O)OC.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C16H16N5O3S.CH4O4S/c1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;1-5-6(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C16H16N5O3S.CH3O4S,,,,,,MXKBRGRWDGSFHA-UHFFFAOYSA-M,,,,,,,,,,,
100.081.380,289-550-2,89923-62-6,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]phenyl]amino]anthracene-2-sulphonate","sodium 1-amino-9,10-dioxo-4-{[3-(propionylamino)phenyl]amino}-9,10-dihydroanthracene-2-sulfonate",[Na+].CCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O,[Na+].CCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O,"InChI=1/C23H19N3O6S.Na/c1-2-18(27)26-13-7-5-6-12(10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-8-3-4-9-15(14)23(20)29;/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32);/q;+1/p-1",C23H19N3O6S.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10634,https://echa.europa.eu/substance-information/-/substanceinfo/100.081.380,XYOLLVHQNKFTLW-UHFFFAOYSA-M,,,,,,,,,,,
100.080.347,288-412-9,85721-03-5,6-fluoro-2-trifluoromethyl-9-hydroxythioxanthene-9-propan-1-ol,6-fluoro-9-(3-hydroxypropyl)-2-(trifluoromethyl)-9H-thioxanthen-9-ol,OCCCC1(O)c2ccc(F)cc2Sc3ccc(cc13)C(F)(F)F,OCCCC1(O)c2ccc(F)cc2Sc3ccc(cc13)C(F)(F)F,"InChI=1/C17H14F4O2S/c18-11-3-4-12-15(9-11)24-14-5-2-10(17(19,20)21)8-13(14)16(12,23)6-1-7-22/h2-5,8-9,22-23H,1,6-7H2",C17H14F4O2S,,,,,,AOUPCZJNJJIMFN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.352,288-418-1,85721-08-0,2-chloro-4'-fluoro-5-(trifluoromethyl)benzophenone,[2-chloro-5-(trifluoromethyl)phenyl](4-fluorophenyl)methanone,Fc1ccc(cc1)C(=O)c2cc(ccc2Cl)C(F)(F)F,Fc1ccc(cc1)C(=O)c2cc(ccc2Cl)C(F)(F)F,"InChI=1/C14H7ClF4O/c15-12-6-3-9(14(17,18)19)7-11(12)13(20)8-1-4-10(16)5-2-8/h1-7H",C14H7ClF4O,,,,,,WOLOCKQZPBSLPY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.354,288-420-2,85721-10-4,"6'-fluoro-4,5-dihydrospiro[furan-2(3H),9'-[9H]thioxanthene]","3'-fluoro-4,5-dihydro-3H-spiro[furan-2,9'-thioxanthene]",Fc1ccc2c(Sc3ccccc3C24CCCO4)c1,Fc1ccc2c(Sc3ccccc3C24CCCO4)c1,"InChI=1/C16H13FOS/c17-11-6-7-13-15(10-11)19-14-5-2-1-4-12(14)16(13)8-3-9-18-16/h1-2,4-7,10H,3,8-9H2",C17H12F4OS,,,,,,JICWVXITXKIFQE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.357,288-423-9,85721-13-7,"Trisodium 5-amino-3-[[4-[[4-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo]benzoyl]amino]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate","trisodium 5-amino-3-{[4-({4-[(2-amino-8-hydroxy-6-sulfonato-1-naphthyl)diazenyl]benzoyl}amino)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(N)c6N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c6c(c1)ccc(N)c6N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C33H25N7O12S3.3Na/c34-24-10-3-17-11-23(54(47,48)49)15-26(41)29(17)30(24)39-37-20-4-1-16(2-5-20)33(43)36-19-6-8-21(9-7-19)38-40-31-27(55(50,51)52)13-18-12-22(53(44,45)46)14-25(35)28(18)32(31)42;;;/h1-15,41-42H,34-35H2,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3",C33H25N7O12S3.3Na,,,,,,SNPQCBOTHNEHBK-UHFFFAOYSA-K,,,,,,,,,,,
100.080.358,288-424-4,85721-14-8,"N-[4-[[4-[[4-[[1-amino-8-hydroxy-3,6-disulpho-7-[(4-sulphophenyl)azo]-2-naphthyl]azo]benzoyl]amino]phenyl]azo]-3-hydroxyphenyl]glycine","N-{4-[(4-{[4-({1-amino-8-hydroxy-3,6-disulfo-7-[(4-sulfophenyl)diazenyl]-2-naphthyl}diazenyl)benzoyl]amino}phenyl)diazenyl]-3-hydroxyphenyl}glycine",Oc6cc(ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4)cc5)NCC(O)=O,Oc6cc(ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4)cc5)NCC(O)=O,"InChI=1/C37H29N9O14S3/c38-33-32-20(16-30(63(58,59)60)35(36(32)50)46-43-24-9-12-26(13-10-24)61(52,53)54)15-29(62(55,56)57)34(33)45-42-22-3-1-19(2-4-22)37(51)40-21-5-7-23(8-6-21)41-44-27-14-11-25(17-28(27)47)39-18-31(48)49/h1-17,39,47,50H,18,38H2,(H,40,51)(H,48,49)(H,52,53,54)(H,55,56,57)(H,58,59,60)",C37H29N9O14S3,,,,,,UIZJFJWXQBPDDY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.361,288-428-6,85721-17-1,"Dibarium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxynaphthalene-1,3-disulphonate]","dibarium 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)",[Ba+2].[Ba+2].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,[Ba+2].[Ba+2].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6,"InChI=1/C34H28N6O16S4.2Ba/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;/q;2*+2/p-4",C34H28N6O16S4.2Ba,,,,,,ZXZUTQJLJJVANU-UHFFFAOYSA-J,,,,,,,,,,,
100.080.369,288-437-5,85721-25-1,Oct-7-enyloxirane,2-oct-7-en-1-yloxirane,C=CCCCCCCC1CO1,C=CCCCCCCC1CO1,"InChI=1/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2",C10H18O,,,,,,FCZHJHKCOZGQJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.012,299-061-6,93842-81-0,N-[2-(2-hydroxyethoxy)propyl]stearamide,N-[2-(2-hydroxyethoxy)propyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCC(C)OCCO,CCCCCCCCCCCCCCCCCC(=O)NCC(C)OCCO,"InChI=1/C23H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)24-21-22(2)27-20-19-25/h22,25H,3-21H2,1-2H3,(H,24,26)",C23H47NO3,,,,,,XWMOKHVPUSDTLM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.013,299-062-1,93842-82-1,Ammonium 2-sulphonatoethyl undec-10-enoate,ammonium 2-(undec-10-enoyloxy)ethanesulfonate,[NH4+].[O-]S(=O)(=O)CCOC(=O)CCCCCCCCC=C,[NH4+].[O-]S(=O)(=O)CCOC(=O)CCCCCCCCC=C,"InChI=1/C13H24O5S.H3N/c1-2-3-4-5-6-7-8-9-10-13(14)18-11-12-19(15,16)17;/h2H,1,3-12H2,(H,15,16,17);1H3",C13H24O5S.H3N,,,,,,STZPOZYIRVHJJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.090.019,299-068-4,93842-90-1,Diethylmethyl[1-methyl-1-[(1-oxoallyl)oxy]ethyl]ammonium chloride,"2-(acryloyloxy)-N,N-diethyl-N-methylpropan-2-aminium chloride",[Cl-].CC[N+](C)(CC)C(C)(C)OC(=O)C=C,[Cl-].CC[N+](C)(CC)C(C)(C)OC(=O)C=C,"InChI=1/C11H22NO2.ClH/c1-7-10(13)14-11(4,5)12(6,8-2)9-3;/h7H,1,8-9H2,2-6H3;1H/q+1;/p-1",C11H22NO2.Cl,,,,,,NDESLBMVDAWMGB-UHFFFAOYSA-M,,,,,,,,,,,
100.090.023,299-073-1,93842-96-7,N-cyano-N'-[2-hydroxy-3-(allyloxy)propyl]guanidine,1-[3-(allyloxy)-2-hydroxypropyl]-3-cyanoguanidine,OC(CNC(=N)NC#N)COCC=C,OC(CNC(=N)NC#N)COCC=C,"InChI=1/C8H14N4O2/c1-2-3-14-5-7(13)4-11-8(10)12-6-9/h2,7,13H,1,3-5H2,(H3,10,11,12)",C8H14N4O2,,,,,,URELKGWOXTZORQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.124,285-967-9,85169-25-1,N-[3-[(phenylamino)sulphonyl]phenyl]acetamide,N-[3-(phenylsulfamoyl)phenyl]acetamide,CC(=O)Nc1cccc(c1)S(=O)(=O)Nc2ccccc2,CC(=O)Nc1cccc(c1)S(=O)(=O)Nc2ccccc2,"InChI=1/C14H14N2O3S/c1-11(17)15-13-8-5-9-14(10-13)20(18,19)16-12-6-3-2-4-7-12/h2-10,16H,1H3,(H,15,17)",C14H14N2O3S,,,,,,VCVHGNYXAKLDLO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.252,286-108-0,85187-20-8,"4-(2,2,3-trimethyl-3-cyclopenten-1-yl)butenoic acid","4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enoic acid",OC(=O)C=CCC1C\\C=C(\\C)C1(C)C,OC(=O)C=CCC1C\C=C(\C)C1(C)C,"InChI=1/C12H18O2/c1-9-7-8-10(12(9,2)3)5-4-6-11(13)14/h4,6-7,10H,5,8H2,1-3H3,(H,13,14)",C12H18O2,,,,,,YRIPPWABYROTJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.257,286-113-8,85187-25-3,"1-[[1-benzyl-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]amino]-1-oxodocosane-2-sulphonic acid","1-[(1-benzyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)amino]-1-oxodocosane-2-sulfonic acid",CCCCCCCCCCCCCCCCCCCCC(C(=O)NC1=NN(Cc2ccccc2)C(=O)C1)S(=O)(=O)O,CCCCCCCCCCCCCCCCCCCCC(C(=O)NC1=NN(Cc2ccccc2)C(=O)C1)S(=O)(=O)O,"InChI=1/C32H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(41(38,39)40)32(37)33-30-26-31(36)35(34-30)27-28-23-20-19-21-24-28/h19-21,23-24,29H,2-18,22,25-27H2,1H3,(H,33,34,37)(H,38,39,40)",C32H53N3O5S,,,,,,OTTPKZJATIFDTG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.272,286-130-0,85187-40-2,"1,1'-[m-phenylenebis(methyleneimino)]bis[3-phenoxypropan-2-ol]","1,1'-[1,3-phenylenebis(methyleneimino)]bis(3-phenoxypropan-2-ol)",OC(CNCc1cccc(CNCC(O)COc2ccccc2)c1)COc3ccccc3,OC(CNCc1cccc(CNCC(O)COc2ccccc2)c1)COc3ccccc3,"InChI=1/C26H32N2O4/c29-23(19-31-25-10-3-1-4-11-25)17-27-15-21-8-7-9-22(14-21)16-28-18-24(30)20-32-26-12-5-2-6-13-26/h1-14,23-24,27-30H,15-20H2",C26H32N2O4,,,,,,MNGXXCXCQQWXAW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.273,286-131-6,85187-41-3,Copper(2+) glycerol phosphate,copper(2+) 2-hydroxy-1-(hydroxymethyl)ethyl phosphate,[Cu+2].OCC(CO)OP(=O)([O-])[O-],[Cu+2].OCC(CO)OP(=O)([O-])[O-],"InChI=1/C3H9O6P.Cu/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.Cu,,,,,,ORXSFYIPHVUPNW-UHFFFAOYSA-L,,,,,,,,,,,
100.078.285,286-144-7,85187-53-7,Pentylpiperidine,1-pentylpiperidine,CCCCCN1CCCCC1,CCCCCN1CCCCC1,"InChI=1/C10H21N/c1-2-3-5-8-11-9-6-4-7-10-11/h2-10H2,1H3",C10H21N,,,,,,LQWJONARYDIOSE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.288,286-147-3,85187-60-6,N-[2-(acetylamino)ethyl]-N-[2-[(1-oxohexadecyl)amino]ethyl]hexadecan-1-amide,N-(2-acetamidoethyl)-N-[2-(palmitoylamino)ethyl]hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)C)C(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)C)C(=O)CCCCCCCCCCCCCCC,"InChI=1/C38H75N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(43)40-33-35-41(34-32-39-36(3)42)38(44)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3,(H,39,42)(H,40,43)",C38H75N3O3,,,,,,SMIOMPTWIHHAGO-UHFFFAOYSA-N,,,,,,,,,,,
100.084.023,292-460-6,90622-58-5,"Alkanes, C11-15-iso-","3,5,7-trimethyldecane",CCCC(C)CC(C)CC(C)CC,CCCC(C)CC(C)CC(C)CC,"InChI=1/C13H28/c1-6-8-12(4)10-13(5)9-11(3)7-2/h11-13H,6-10H2,1-5H3",-,,,,,,PEYBKVQWVSPNDC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.202,301-468-1,94021-77-9,"3-fluoro-a-methyl[1,1'-biphenyl]-4-acetamide",2-(3-fluorobiphenyl-4-yl)propanamide,CC(C(=O)N)c1ccc(cc1F)c2ccccc2,CC(C(=O)N)c1ccc(cc1F)c2ccccc2,"InChI=1/C15H14FNO/c1-10(15(17)18)13-8-7-12(9-14(13)16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18)",C15H14FNO,,,,,,XWWZKEFHSMFCCA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.218,301-485-4,94021-94-0,"3,6,10-trimethylundecan-2-ol","3,6,10-trimethylundecan-2-ol",CC(C)CCCC(C)CCC(C)C(C)O,CC(C)CCCC(C)CCC(C)C(C)O,"InChI=1/C14H30O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h11-15H,6-10H2,1-5H3",C14H30O,,,,,,QGAYNYYCZIZJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.092.225,301-493-8,94022-01-2,"trans-3,4,4a,5,8,8a-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran","3,3,6,7-tetramethyl-3,4,4a,5,8,8a-hexahydro-1H-isochromene",CC1=C(C)C[C@@H]2CC(C)(C)OC[C@H]2C1,CC1=C(C)C[C@@H]2CC(C)(C)OC[C@H]2C1,"InChI=1/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h11-12H,5-8H2,1-4H3",C13H22O,,,,,,RZLXGTKIGFFSMN-VXGBXAGGSA-N,,,,,,,,,,,
100.077.889,285-707-4,85135-87-1,"Bis[(8a,9R)-9-hydroxy-6'-methoxycinchonanium] sulphate",bis(6'-methoxycinchonan-1-ium-9-ol) sulfate,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CC[N@H+]7C[C@@H]8C=C)c6c5.[O-]S(=O)(=O)[O-],COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CC[N@H+]7C[C@@H]8C=C)c6c5.[O-]S(=O)(=O)[O-],"InChI=1/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)",C20H24N2O2.1/2H2O4S,,,,,,RONWGALEIBILOG-VMJVVOMYSA-N,,,,,,,,,,,
100.077.890,285-709-5,85135-88-2,(9S)-6'-methoxycinchonan-9-ol dihydrochloride,6'-methoxycinchonan-9-ol dihydrochloride,Cl.Cl.COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,Cl.Cl.COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.2ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H",C20H24N2O2.2ClH,,,,,,NNKXWRRDHYTHFP-KAIFKDDSSA-N,,,,,,,,,,,
100.077.891,285-710-0,85135-89-3,"Sodium 6-[(4-amino-2,5-xylyl)azo]toluene-3-sulphonate","4-[(4-amino-2,5-dimethylphenyl)diazenyl]-3-methylbenzenesulfonic acid",Cc1cc(N=Nc2ccc(cc2C)S(=O)(=O)O)c(C)cc1N,Cc1cc(N=Nc2ccc(cc2C)S(=O)(=O)O)c(C)cc1N,"InChI=1/C15H17N3O3S/c1-9-8-15(11(3)7-13(9)16)18-17-14-5-4-12(6-10(14)2)22(19,20)21/h4-8H,16H2,1-3H3,(H,19,20,21)",C15H17N3O3S.Na,,,,,,YEDPFMFXPLLASX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.897,285-716-3,85135-95-1,Sodium 2-[3-[[8-(benzoylamino)-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzoyl]benzoate,sodium 2-(3-{[8-(benzoylamino)-2-hydroxy-1-naphthyl]diazenyl}-4-hydroxybenzoyl)benzoate,[Na+].Oc4ccc(cc4N=Nc2c3c(NC(=O)c1ccccc1)cccc3ccc2O)C(=O)c5ccccc5C([O-])=O,[Na+].Oc4ccc(cc4N=Nc2c3c(NC(=O)c1ccccc1)cccc3ccc2O)C(=O)c5ccccc5C([O-])=O,"InChI=1/C31H21N3O6.Na/c35-25-15-14-20(29(37)21-10-4-5-11-22(21)31(39)40)17-24(25)33-34-28-26(36)16-13-18-9-6-12-23(27(18)28)32-30(38)19-7-2-1-3-8-19;/h1-17,35-36H,(H,32,38)(H,39,40);/q;+1/p-1",C31H21N3O6.Na,,,,,,AYDUFQGPKICQQQ-UHFFFAOYSA-M,,,,,,,,,,,
100.077.904,285-724-7,85136-02-3,Magnesium bis[2-chloro-5-formylbenzenesulphonate],magnesium bis(2-chloro-5-formylbenzenesulfonate),[Mg+2].[O-]S(=O)(=O)c1cc(C=O)ccc1Cl.[O-]S(=O)(=O)c2cc(C=O)ccc2Cl,[Mg+2].[O-]S(=O)(=O)c1cc(C=O)ccc1Cl.[O-]S(=O)(=O)c2cc(C=O)ccc2Cl,"InChI=1/2C7H5ClO4S.Mg/c2*8-6-2-1-5(4-9)3-7(6)13(10,11)12;/h2*1-4H,(H,10,11,12);/q;;+2/p-2",C7H5ClO4S.1/2Mg,,,,,,NTDTWSBPXNKFKD-UHFFFAOYSA-L,,,,,,,,,,,
100.077.914,285-735-7,85136-12-5,tert-butyl 5-oxo-DL-prolinate,tert-butyl 5-oxo-L-prolinate,CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1,CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C9H15NO3/c1-9(2,3)13-8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)",C9H15NO3,,,,,,QXGSPAGZWRTTOT-LURJTMIESA-N,,,,,,,,,,,
100.077.915,285-736-2,85136-13-6,"2,3-dihydroxypropyl 5-oxo-DL-prolinate","2,3-dihydroxypropyl 5-oxo-L-prolinate",OCC(O)COC(=O)[C@@H]1CCC(=O)N1,OCC(O)COC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H13NO5/c10-3-5(11)4-14-8(13)6-1-2-7(12)9-6/h5-6,10-11H,1-4H2,(H,9,12)",C8H13NO5,,,,,,XWZPJRNVELUELY-GDVGLLTNSA-N,,,,,,,,,,,
100.077.917,285-738-3,85136-15-8,"5-oxo-DL-proline, compound with 1H-imidazole (1:1)",5-oxo-L-proline - 1H-imidazole (1:1),OC(=O)[C@@H]1CCC(=O)N1.c2c[nH]cn2,OC(=O)[C@@H]1CCC(=O)N1.c2c[nH]cn2,"InChI=1/C5H7NO3.C3H4N2/c7-4-2-1-3(6-4)5(8)9;1-2-5-3-4-1/h3H,1-2H2,(H,6,7)(H,8,9);1-3H,(H,4,5)",C5H7NO3.C3H4N2,,,,,,GDXICBKVGXZAAS-DFWYDOINSA-N,,,,,,,,,,,
100.077.919,285-740-4,85136-17-0,"5-oxo-L-proline, compound with L-cysteine (1:1)",5-oxo-L-proline - L-cysteine (1:1),N[C@@H](CS)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,N[C@@H](CS)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C3H7NO2S/c7-4-2-1-3(6-4)5(8)9;4-2(1-7)3(5)6/h3H,1-2H2,(H,6,7)(H,8,9);2,7H,1,4H2,(H,5,6)",C5H7NO3.C3H7NO2S,,,,,,FVCBXPZCBRIFIM-BHFSHLQUSA-N,,,,,,,,,,,
100.077.937,285-760-3,85136-36-3,(2-methoxyethoxy)methylcyclooctane,[(2-methoxyethoxy)methyl]cyclooctane,COCCOCC1CCCCCCC1,COCCOCC1CCCCCCC1,"InChI=1/C12H24O2/c1-13-9-10-14-11-12-7-5-3-2-4-6-8-12/h12H,2-11H2,1H3",C12H24O2,,,,,,PAMROBCNETTXJS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.940,285-764-5,85136-39-6,"3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate","3,7-dimethylocta-2,6-dien-1-yl 2-ethylbutanoate",CCC(CC)C(=O)OCC=C(C)CC\\C=C(/C)C,CCC(CC)C(=O)OCC=C(C)CC\C=C(/C)C,"InChI=1/C16H28O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3",C16H28O2,,,,,,PFVYLGTZGQUUOT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.941,285-765-0,85136-40-9,1-ethoxy-1-(isobutoxy)-3-methylbutane,1-ethoxy-1-isobutoxy-3-methylbutane,CCOC(CC(C)C)OCC(C)C,CCOC(CC(C)C)OCC(C)C,"InChI=1/C11H24O2/c1-6-12-11(7-9(2)3)13-8-10(4)5/h9-11H,6-8H2,1-5H3",C11H24O2,,,,,,CDUMXRCATAAWBT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.943,285-767-1,85136-42-1,"Disodium 5-[(2,4-dihydroxyphenyl)azo]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc4c(cc(cc4N=Nc3c(cc2cc(cc(N=Nc1ccc(O)cc1O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O,[Na+].[Na+].Oc4c(cc(cc4N=Nc3c(cc2cc(cc(N=Nc1ccc(O)cc1O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C22H14N6O14S2.2Na/c29-11-1-2-13(17(30)7-11)23-24-14-8-12(43(37,38)39)3-9-4-18(44(40,41)42)20(22(32)19(9)14)26-25-15-5-10(27(33)34)6-16(21(15)31)28(35)36;;/h1-8,29-32H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",C22H14N6O14S2.2Na,,,,,,UTQVACCAACVQCQ-UHFFFAOYSA-L,,,,,,,,,,,
100.077.989,285-818-8,85153-38-4,N-[4-[[4-[(4-hydroxyphenyl)amino]phenyl]amino]phenyl]acetamide,N-[4-({4-[(4-hydroxyphenyl)amino]phenyl}amino)phenyl]acetamide,CC(=O)Nc1ccc(Nc2ccc(Nc3ccc(O)cc3)cc2)cc1,CC(=O)Nc1ccc(Nc2ccc(Nc3ccc(O)cc3)cc2)cc1,"InChI=1/C20H19N3O2/c1-14(24)21-15-2-4-16(5-3-15)22-17-6-8-18(9-7-17)23-19-10-12-20(25)13-11-19/h2-13,22-23,25H,1H3,(H,21,24)",C20H19N3O2,,,,,,SJRVFAFOOJNKOI-UHFFFAOYSA-N,,,,,,,,,,,
100.083.852,292-271-9,90583-69-0,"Tetradecanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCC(=O)[O-],"InChI=1/C14H28O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+2/p-1",-,,,,,,JZDKOHXKVMAJOX-UHFFFAOYSA-M,,,,,,,,,,,
100.077.994,285-824-0,85153-43-1,"1-(5-amino-2-methyl-3-sulphophenyl)-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid","1-(5-amino-2-methyl-3-sulfophenyl)-5-oxo-4-[(2-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid",OS(=O)(=O)c3ccccc3N=NC2\\C(=N/N(c1cc(N)cc(c1C)S(O)(=O)=O)C2=O)C(O)=O,OS(=O)(=O)c3ccccc3N=NC2\C(=N/N(c1cc(N)cc(c1C)S(O)(=O)=O)C2=O)C(O)=O,"InChI=1/C17H15N5O9S2/c1-8-11(6-9(18)7-13(8)33(29,30)31)22-16(23)14(15(21-22)17(24)25)20-19-10-4-2-3-5-12(10)32(26,27)28/h2-7,14H,18H2,1H3,(H,24,25)(H,26,27,28)(H,29,30,31)",C17H15N5O9S2,,,,,,KKWGDRBBHYUNIY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.995,285-825-6,85153-44-2,"1,5-diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1,5-diamino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1cccc2C(=O)c3c(N)c(ccc3C(=O)c12)S(=O)(=O)O,Nc1cccc2C(=O)c3c(N)c(ccc3C(=O)c12)S(=O)(=O)O,"InChI=1/C14H10N2O5S/c15-8-3-1-2-6-10(8)13(17)7-4-5-9(22(19,20)21)12(16)11(7)14(6)18/h1-5H,15-16H2,(H,19,20,21)",C14H10N2O5S,,,,,,DWBYKKOMRNYEMS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.996,285-826-1,85153-45-3,"4,6-diaminotoluene-2-sulphonic acid","3,5-diamino-2-methylbenzenesulfonic acid",Cc1c(N)cc(N)cc1S(=O)(=O)O,Cc1c(N)cc(N)cc1S(=O)(=O)O,"InChI=1/C7H10N2O3S/c1-4-6(9)2-5(8)3-7(4)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)",C7H10N2O3S,,,,,,AFUHLZJMSIKUOK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.999,285-829-8,85153-48-6,"tert-butyl 2,4-dichloro-3-oxobutyrate","tert-butyl 2,4-dichloro-3-oxobutanoate",CC(C)(C)OC(=O)C(Cl)C(=O)CCl,CC(C)(C)OC(=O)C(Cl)C(=O)CCl,"InChI=1/C8H12Cl2O3/c1-8(2,3)13-7(12)6(10)5(11)4-9/h6H,4H2,1-3H3",C8H12Cl2O3,,,,,,UHHZHVDHAQZWES-UHFFFAOYSA-N,,,,,,,,,,,
100.085.434,294-015-1,91672-10-5,"Octadecanoic acid, 12-hydroxy-, aluminum salt, basic",-,[Al+3].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O3.Al/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+3/p-1",-,,,,,,XYYSLPLEABHFRW-UHFFFAOYSA-M,,,,,,,,,,,
100.077.820,285-632-7,85117-82-4,"1-hexadecylimidazolidine-2,4-dione","1-hexadecylimidazolidine-2,4-dione",CCCCCCCCCCCCCCCCN1CC(=O)NC1=O,CCCCCCCCCCCCCCCCN1CC(=O)NC1=O,"InChI=1/C19H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(22)20-19(21)23/h2-17H2,1H3,(H,20,22,23)",C19H36N2O2,,,,,,DRKXRVWPYXYCMR-UHFFFAOYSA-N,,,,,,,,,,,
100.077.821,285-633-2,85117-83-5,"1-octadecylimidazolidine-2,4-dione","1-octadecylimidazolidine-2,4-dione",CCCCCCCCCCCCCCCCCCN1CC(=O)NC1=O,CCCCCCCCCCCCCCCCCCN1CC(=O)NC1=O,"InChI=1/C21H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20(24)22-21(23)25/h2-19H2,1H3,(H,22,24,25)",C21H40N2O2,,,,,,SMCUEMZWAQLBET-UHFFFAOYSA-N,,,,,,,,,,,
100.077.825,285-637-4,85117-87-9,"5-(2-acetoxyacetyl)benzene-1,2,3-triyl triacetate","5-(acetoxyacetyl)benzene-1,2,3-triyl triacetate",CC(=O)OCC(=O)c1cc(OC(=O)C)c(OC(=O)C)c(OC(=O)C)c1,CC(=O)OCC(=O)c1cc(OC(=O)C)c(OC(=O)C)c(OC(=O)C)c1,"InChI=1/C16H16O9/c1-8(17)22-7-13(21)12-5-14(23-9(2)18)16(25-11(4)20)15(6-12)24-10(3)19/h5-6H,7H2,1-4H3",C16H16O9,,,,,,YBPOUYKRSJRDEC-UHFFFAOYSA-N,,,,,,,,,,,
100.077.826,285-639-5,85117-88-0,N-(4-acetyl-2-fluorophenyl)acetamide,N-(4-acetyl-2-fluorophenyl)acetamide,CC(=O)Nc1ccc(cc1F)C(=O)C,CC(=O)Nc1ccc(cc1F)C(=O)C,"InChI=1/C10H10FNO2/c1-6(13)8-3-4-10(9(11)5-8)12-7(2)14/h3-5H,1-2H3,(H,12,14)",C10H10FNO2,,,,,,VTSRUHHYVDPFBT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.832,285-645-8,85117-94-8,Bis(2-octyldodecyl) adipate,bis(2-octyldodecyl) adipate,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,"InChI=1/C46H90O4/c1-5-9-13-17-21-23-27-31-37-43(35-29-25-19-15-11-7-3)41-49-45(47)39-33-34-40-46(48)50-42-44(36-30-26-20-16-12-8-4)38-32-28-24-22-18-14-10-6-2/h43-44H,5-42H2,1-4H3",C46H90O4,,,,,,WLFITRMCTPBSQS-UHFFFAOYSA-N,,,,,,,,,,,
100.077.837,285-651-0,85117-99-3,"2-(bromomethyl)-1,4-difluorobenzene","2-(bromomethyl)-1,4-difluorobenzene",Fc1ccc(F)c(CBr)c1,Fc1ccc(F)c(CBr)c1,"InChI=1/C7H5BrF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2",C7H5BrF2,,,,,,ONWGSWNHQZYCFK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.838,285-652-6,85118-00-9,"2-(bromomethyl)-1,3-difluorobenzene","2-(bromomethyl)-1,3-difluorobenzene",Fc1cccc(F)c1CBr,Fc1cccc(F)c1CBr,"InChI=1/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2",C7H5BrF2,,,,,,LSXJPJGBWSZHTM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.870,285-687-7,85118-33-8,"4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3(2H)-one monohydrochloride","4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3(2H)-one hydrochloride",Cl.O=C1NOC2=C1CCNC2,Cl.O=C1NOC2=C1CCNC2,"InChI=1/C6H8N2O2.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H",C6H8N2O2.ClH,,,,,,ZDZDSZQYRBZPNN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.133,288-176-7,85665-84-5,"Potassium 2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylate","potassium 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylate",[K+].Oc1ccc(cc1C(=O)[O-])c2ccc(F)cc2F,[K+].Oc1ccc(cc1C(=O)[O-])c2ccc(F)cc2F,"InChI=1/C13H8F2O3.K/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;/h1-6,16H,(H,17,18);/q;+1/p-1",C13H8F2O3.K,,,,,,ZXGOZEORUWWWDB-UHFFFAOYSA-M,,,,,,,,,,,
100.080.136,288-179-3,85665-89-0,4-methyl-2-(2-methylpropenyl)pyridine,4-methyl-2-(2-methylprop-1-en-1-yl)pyridine,CC(=Cc1cc(C)ccn1)C,CC(=Cc1cc(C)ccn1)C,"InChI=1/C10H13N/c1-8(2)6-10-7-9(3)4-5-11-10/h4-7H,1-3H3",C10H13N,,,,,,PPSYASYDDAKJPW-UHFFFAOYSA-N,,,,,,,,,,,
100.080.139,288-183-5,85665-92-5,"Butyl-1,2,3,4-tetrahydro-1-naphthol","1-butyl-1,2,3,4-tetrahydronaphthalen-1-ol",CCCCC1(O)CCCc2ccccc12,CCCCC1(O)CCCc2ccccc12,"InChI=1/C14H20O/c1-2-3-10-14(15)11-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,15H,2-3,6,8,10-11H2,1H3",C14H20O,,,,,,DEPHQOGHQQLGNM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.141,288-185-6,85670-21-9,2-ethylhexyl 3-methoxypropyl adipate,2-ethylhexyl 3-methoxypropyl adipate,CCCCC(CC)COC(=O)CCCCC(=O)OCCCOC,CCCCC(CC)COC(=O)CCCCC(=O)OCCCOC,"InChI=1/C18H34O5/c1-4-6-10-16(5-2)15-23-18(20)12-8-7-11-17(19)22-14-9-13-21-3/h16H,4-15H2,1-3H3",C18H34O5,,,,,,HDPFFQNSADQKPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.142,288-186-1,85673-87-6,Revenast,"1,5-diphenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2-dihydro-3H-pyrazol-3-one",O=C1C=C(N(N1CCCN2CCN(CC2)c3ccccn3)c4ccccc4)c5ccccc5,O=C1C=C(N(N1CCCN2CCN(CC2)c3ccccn3)c4ccccc4)c5ccccc5,"InChI=1/C27H29N5O/c33-27-22-25(23-10-3-1-4-11-23)32(24-12-5-2-6-13-24)31(27)17-9-16-29-18-20-30(21-19-29)26-14-7-8-15-28-26/h1-8,10-15,22H,9,16-21H2",C27H29N5O,,,,,,NOSNJBQFOSLJCA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.187,288-235-7,85681-99-8,"4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzene-1,3-disulphonic acid","4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzene-1,3-disulfonic acid",CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccc(cc4S(=O)(=O)O)S(=O)(=O)O,CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccc(cc4S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C27H32N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17,27H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35)",C27H32N2O7S2,,,,,,ZMQJXVGDHQCYTO-UHFFFAOYSA-N,,,,,,,,,,,
100.080.195,288-244-6,85702-53-0,Strontium 3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]benzenesulphonate,strontium bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate),[Sr+2].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2.CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2,[Sr+2].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2.CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2,"InChI=1/2C16H14N4O7S.Sr/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2",C16H14N4O7S.1/2Sr,,,,,,IQKRSRCCAZSOHO-UHFFFAOYSA-L,,,,,,,,,,,
100.080.196,288-245-1,85702-54-1,Calcium bis[6-chloro-4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]toluene-3-sulphonate],calcium bis[4-chloro-2-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)-5-methylbenzenesulfonate],[Ca+2].Cc1cc(c(cc1Cl)N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2OC)c3O)S([O-])(=O)=O.COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O)c3O,[Ca+2].Cc1cc(c(cc1Cl)N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2OC)c3O)S([O-])(=O)=O.COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O)c3O,"InChI=1/2C25H20ClN3O6S.Ca/c2*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h2*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;+2/p-2",C25H20ClN3O6S.1/2Ca,,,,,,AGVXFPVRUAJHDU-UHFFFAOYSA-L,,,,,,,,,,,
100.080.204,288-254-0,85702-62-1,17-ß-hydroxyestr-4-en-3-one 17-(undec-10-enoate),3-oxoestr-4-en-17-yl undec-10-enoate,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,"InChI=1/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h3,20,23-27H,1,4-19H2,2H3",C29H44O3,,,,,,FZHPIXXLEHKOKS-MVTMSODMSA-N,,,,,,,,,,,
100.083.052,291-391-9,90388-12-8,"Hexadecanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C16H32O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+2/p-1",-,,,,,,WJCWLOWTMCTUPP-UHFFFAOYSA-M,,,,,,,,,,,
100.080.211,288-261-9,85702-71-2,"5-chloro-1-(phenylsulphonyl)-1H-indole-2,3-dione","5-chloro-1-(phenylsulfonyl)-1H-indole-2,3-dione",Clc1ccc2N(C(=O)C(=O)c2c1)S(=O)(=O)c3ccccc3,Clc1ccc2N(C(=O)C(=O)c2c1)S(=O)(=O)c3ccccc3,"InChI=1/C14H8ClNO4S/c15-9-6-7-12-11(8-9)13(17)14(18)16(12)21(19,20)10-4-2-1-3-5-10/h1-8H",C14H8ClNO4S,,,,,,ZWWPMBSAJGGCOH-UHFFFAOYSA-N,,,,,,,,,,,
100.080.224,288-276-0,85702-84-7,Tricholine borate,"tris(2-hydroxy-N,N,N-trimethylethanaminium) borate",C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.[O-]B([O-])[O-],C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.[O-]B([O-])[O-],"InChI=1/3C5H14NO.BO3/c3*1-6(2,3)4-5-7;2-1(3)4/h3*7H,4-5H2,1-3H3;/q3*+1;-3",C5H14NO.1/3BO3,,,,,,IIAYWPDIEYSHQG-UHFFFAOYSA-N,,,,,,,,,,,
100.083.077,291-418-4,90397-38-9,2-methylpentyl 2-methylvalerate,2-methylpentyl 2-methylpentanoate,CCCC(C)COC(=O)C(C)CCC,CCCC(C)COC(=O)C(C)CCC,"InChI=1/C12H24O2/c1-5-7-10(3)9-14-12(13)11(4)8-6-2/h10-11H,5-9H2,1-4H3",C12H24O2,,,,,,UMFWRNLJDQMTFR-UHFFFAOYSA-N,,,,,,,,,,,
100.092.227,301-495-9,94022-03-4,"(S)-3,7-dimethyl-6-octenyl 3-methyl-2-butenoate","3,7-dimethyloct-6-en-1-yl 3-methylbut-2-enoate",C[C@H](CCOC(=O)C=C(C)C)CCC=C(C)C,C[C@H](CCOC(=O)C=C(C)C)CCC=C(C)C,"InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,11,14H,6,8-10H2,1-5H3",C15H26O2,,,,,,DCEUMOZSMAUPSP-AWEZNQCLSA-N,,,,,,,,,,,
100.092.236,301-506-7,94022-12-5,2-[2-(nonylphenoxy)ethoxy]ethyl docosanoate,2-[2-(2-nonylphenoxy)ethoxy]ethyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOc1ccccc1CCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOc1ccccc1CCCCCCCCC,"InChI=1/C41H74O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-34-41(42)45-38-36-43-35-37-44-40-33-30-29-32-39(40)31-27-25-23-10-8-6-4-2/h29-30,32-33H,3-28,31,34-38H2,1-2H3",C41H74O4,,,,,,PLIFBJHLLUOJTD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.239,301-509-3,94022-15-8,"N-(2-aminoethyl)-N'-[2-(4,5-dihydro-2-nonadecyl-1H-imidazol-1-yl)ethyl]ethylenediamine","N-(2-aminoethyl)-N'-[2-(2-nonadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamine",CCCCCCCCCCCCCCCCCCCC1=NCCN1CCNCCNCCN,CCCCCCCCCCCCCCCCCCCC1=NCCN1CCNCCNCCN,"InChI=1/C28H59N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-32-25-27-33(28)26-24-31-23-22-30-21-20-29/h30-31H,2-27,29H2,1H3",C28H59N5,,,,,,GSHYFPMSHMDOAH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.243,301-514-0,94022-19-2,"2,6-dicyclopentyl-m-cresol","2,6-dicyclopentyl-3-methylphenol",Cc1ccc(C2CCCC2)c(O)c1C3CCCC3,Cc1ccc(C2CCCC2)c(O)c1C3CCCC3,"InChI=1/C17H24O/c1-12-10-11-15(13-6-2-3-7-13)17(18)16(12)14-8-4-5-9-14/h10-11,13-14,18H,2-9H2,1H3",C17H24O,,,,,,ORSUQDMEHLIUNE-UHFFFAOYSA-N,,,,,,,,,,,
100.091.490,300-684-3,93952-58-0,Isopropyl 1-cyclohexene-1-acetate,isopropyl cyclohex-1-en-1-ylacetate,CC(C)OC(=O)CC1=CCCCC1,CC(C)OC(=O)CC1=CCCCC1,"InChI=1/C11H18O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h6,9H,3-5,7-8H2,1-2H3",C11H18O2,,,,,,LXDRIYLDFQGETL-UHFFFAOYSA-N,,,,,,,,,,,
100.091.493,300-688-5,93962-52-8,Bis(tridecafluorohexyl) disulphide,"1',6-disulfanediylbis(tridecafluorohexane)",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)SSC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)SSC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12F26S2/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)39-40-12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34",C12F26S2,,,,,,OCCOAYPOGQDEOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.751,302-073-7,94088-71-8,"Methyl 1-benzyl-4-oxopiperidine-3-carboxylate, sodium salt",-,[Na+].COC(=O)C1CN(Cc2ccccc2)CCC1=O,[Na+].COC(=O)C1CN(Cc2ccccc2)CCC1=O,"InChI=1/C14H17NO3.Na/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;/q;+1",C14H16NO3.Na,,,,,,WQHWLTLOMYQLHA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.763,302-086-8,94088-83-2,3-hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate,3-hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO,"InChI=1/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)27-21-23(2,19-24)20-25/h24-25H,3-21H2,1-2H3",C23H46O4,,,,,,XVKLFAFJGQHUGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.766,302-089-4,94088-86-5,2-(p-chlorophenyl)-2-oxoethyl (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,2-(4-chlorophenyl)-2-oxoethyl 3-(acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3cccs3)C2=O)C(=O)OCC(=O)c4ccc(Cl)cc4,CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cc3cccs3)C2=O)C(=O)OCC(=O)c4ccc(Cl)cc4,"InChI=1/C24H21ClN2O7S2/c1-13(28)33-10-15-12-36-23-20(26-19(30)9-17-3-2-8-35-17)22(31)27(23)21(15)24(32)34-11-18(29)14-4-6-16(25)7-5-14/h2-8,20,23H,9-12H2,1H3,(H,26,30)",C24H21ClN2O7S2,,,,,,MONDTVMBCMIXGR-REWPJTCUSA-N,,,,,,,,,,,
100.087.735,296-553-2,92739-54-3,Dodecyl hydrogen sebacate,10-(dodecyloxy)-10-oxodecanoic acid,CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O,CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O,"InChI=1/C22H42O4/c1-2-3-4-5-6-7-8-11-14-17-20-26-22(25)19-16-13-10-9-12-15-18-21(23)24/h2-20H2,1H3,(H,23,24)",C22H42O4,,,,,,GIGYJAKGGCCFLM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.255,300-427-5,93940-32-0,3-(diethylamino)-N-phenylbutyramide monohydrochloride,3-(diethylamino)-N-phenylbutanamide hydrochloride,Cl.CCN(CC)C(C)CC(=O)Nc1ccccc1,Cl.CCN(CC)C(C)CC(=O)Nc1ccccc1,"InChI=1/C14H22N2O.ClH/c1-4-16(5-2)12(3)11-14(17)15-13-9-7-6-8-10-13;/h6-10,12H,4-5,11H2,1-3H3,(H,15,17);1H",C14H22N2O.ClH,,,,,,AFAGKKJVZIQRMO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.272,300-445-3,93940-49-9,"4,4'-[methylenebis[(3,5-dimethyl-4,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid]","4,4'-{methylenebis[(3,5-dimethyl-4,1-phenylene)imino]}bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid)",Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc(C)c1Cc5c(C)cc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)O)cc5C,Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)cc(C)c1Cc5c(C)cc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)O)cc5C,"InChI=1/C45H36N4O10S2/c1-20-13-24(48-32-18-34(60(54,55)56)40(46)38-36(32)42(50)26-9-5-7-11-28(26)44(38)52)14-21(2)30(20)17-31-22(3)15-25(16-23(31)4)49-33-19-35(61(57,58)59)41(47)39-37(33)43(51)27-10-6-8-12-29(27)45(39)53/h5-16,18-19,48-49H,17,46-47H2,1-4H3,(H,54,55,56)(H,57,58,59)",C45H36N4O10S2,,,,,,YBFZDXHFZMMVQO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.952,285-777-6,85136-53-4,2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-3-bromo-5-nitrobenzoate,2-methoxyethyl 4-({4-[bis(2-hydroxyethyl)amino]phenyl}diazenyl)-3-bromo-5-nitrobenzoate,Brc2cc(cc(c2N=Nc1ccc(cc1)N(CCO)CCO)[N+]([O-])=O)C(=O)OCCOC,Brc2cc(cc(c2N=Nc1ccc(cc1)N(CCO)CCO)[N+]([O-])=O)C(=O)OCCOC,"InChI=1/C20H23BrN4O7/c1-31-10-11-32-20(28)14-12-17(21)19(18(13-14)25(29)30)23-22-15-2-4-16(5-3-15)24(6-8-26)7-9-27/h2-5,12-13,26-27H,6-11H2,1H3",C20H23BrN4O7,,,,,,RVDDORUQEHYZBF-UHFFFAOYSA-N,,,,,,,,,,,
100.082.072,290-314-6,90111-50-5,"2,4-dihydroxy-m-anisic acid","2,4-dihydroxy-3-methoxybenzoic acid",COc1c(O)ccc(C(=O)O)c1O,COc1c(O)ccc(C(=O)O)c1O,"InChI=1/C8H8O5/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,9-10H,1H3,(H,11,12)",C8H8O5,,,,,,UWZZZMBHPRRQAB-UHFFFAOYSA-N,,,,,,,,,,,
100.077.962,285-788-6,85136-63-6,4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-methylbenzenesulphonic acid,4-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonic acid,OS(=O)(=O)c3cc(N=Nc1c2ccccc2ccc1O)c(O)c(C)c3,OS(=O)(=O)c3cc(N=Nc1c2ccccc2ccc1O)c(O)c(C)c3,"InChI=1/C17H14N2O5S/c1-10-8-12(25(22,23)24)9-14(17(10)21)18-19-16-13-5-3-2-4-11(13)6-7-15(16)20/h2-9,20-21H,1H3,(H,22,23,24)",C17H14N2O5S,,,,,,PVPPOERSQVBQMT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.968,285-794-9,85136-69-2,"Bromoiododibenzo[def,mno]chrysene-6,12-dione","1-bromo-2-iodonaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dione",Brc1c(I)cc2ccc3C(=O)c4cccc5ccc6C(=O)c1c2c3c6c45,Brc1c(I)cc2ccc3C(=O)c4cccc5ccc6C(=O)c1c2c3c6c45,InChI=1/C22H8BrIO2/c23-20-14(24)8-10-5-7-12-18-16(10)19(20)22(26)13-6-4-9-2-1-3-11(21(12)25)15(9)17(13)18/h1-8H,C22H8BrIO2,,,,,,BBRZTHVSFWFFNO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.974,285-802-0,85153-23-7,"5-oxo-DL-proline, compound with L-lysine (1:1)",5-oxo-L-proline - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C6H14N2O2.C5H7NO3,,,,,,GSTSUZHIVMCRLR-RVZXSAGBSA-N,,,,,,,,,,,
100.077.979,285-807-8,85153-28-2,"3,4-dimethyl-2-methylenevaleraldehyde","3,4-dimethyl-2-methylenepentanal",CC(C)C(C)C(=C)C=O,CC(C)C(C)C(=C)C=O,"InChI=1/C8H14O/c1-6(2)8(4)7(3)5-9/h5-6,8H,3H2,1-2,4H3",C8H14O,,,,,,QUDBAGFQCACQMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.984,285-813-0,85153-33-9,Dipotassium 2-[(2-ethylhexyl)oxy]ethyl phosphate,dipotassium 2-[(2-ethylhexyl)oxy]ethyl phosphate,[K+].[K+].CCCCC(CC)COCCOP(=O)([O-])[O-],[K+].[K+].CCCCC(CC)COCCOP(=O)([O-])[O-],"InChI=1/C10H23O5P.2K/c1-3-5-6-10(4-2)9-14-7-8-15-16(11,12)13;;/h10H,3-9H2,1-2H3,(H2,11,12,13);;/q;2*+1/p-2",C10H23O5P.2K,,,,,,ZRRJVXUFAHCWLV-UHFFFAOYSA-L,,,,,,,,,,,
100.077.986,285-815-1,85153-35-1,"3,6,9,16,19-pentaoxahenicosane-1,21-diyl dilaurate","23-oxo-3,6,13,16,19,22-hexaoxatetratriacont-1-yl laurate",CCCCCCCCCCCC(=O)OCCOCCOCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OCCOCCOCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC,"InChI=1/C40H78O9/c1-3-5-7-9-11-13-15-17-21-25-39(41)48-37-35-46-32-30-44-28-24-20-19-23-27-43-29-31-45-33-34-47-36-38-49-40(42)26-22-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3",C40H78O9,,,,,,TWTBVGOCMCEYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.991,285-820-9,85153-40-8,"10,10'-(1,2-ethanediylidene)bis[1-chloroanthracen-9(10H)-one]","10,10'-ethane-1,2-diylidenebis(1-chloroanthracen-9(10H)-one)",Clc1cccc6c1C(=O)c2ccccc2C6=CC=C5c3ccccc3C(=O)c4c5cccc4Cl,Clc1cccc6c1C(=O)c2ccccc2C6=CC=C5c3ccccc3C(=O)c4c5cccc4Cl,InChI=1/C30H16Cl2O2/c31-25-13-5-11-21-19(17-7-1-3-9-23(17)29(33)27(21)25)15-16-20-18-8-2-4-10-24(18)30(34)28-22(20)12-6-14-26(28)32/h1-16H,C30H16Cl2O2,,,,,,VIZUBHPKAIOLKP-UHFFFAOYSA-N,,,,,,,,,,,
100.083.848,292-267-7,90583-65-6,"Tetradecanoic acid, lead salt, basic",-,[Pb].OC(=O)CCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCC,"InChI=1/C14H28O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2-13H2,1H3,(H,15,16);;;/q;+4;;/rC14H28O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);1H2/q;+4",-,,,,,,XGKFXFYGFVPPFC-UHFFFAOYSA-N,,,,,,,,,,,
100.077.997,285-827-7,85153-46-4,"Propyl 2,4-dichloro-3-oxobutyrate","propyl 2,4-dichloro-3-oxobutanoate",CCCOC(=O)C(Cl)C(=O)CCl,CCCOC(=O)C(Cl)C(=O)CCl,"InChI=1/C7H10Cl2O3/c1-2-3-12-7(11)6(9)5(10)4-8/h6H,2-4H2,1H3",C7H10Cl2O3,,,,,,PWBGADFQZYEPHY-UHFFFAOYSA-N,,,,,,,,,,,
100.077.791,285-600-2,85117-50-6,"Benzenesulfonic acid, mono-C10-14-alkyl derivs., sodium salts",sodium 4-dodecylbenzenesulfonate,[Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1",-,,,,,,JHJUUEHSAZXEEO-UHFFFAOYSA-M,,,,,,,,,,,
100.077.810,285-621-7,85117-72-2,2-amino-N-(2-bromoethyl)benzamide,2-amino-N-(2-bromoethyl)benzamide,Nc1ccccc1C(=O)NCCBr,Nc1ccccc1C(=O)NCCBr,"InChI=1/C9H11BrN2O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,11H2,(H,12,13)",C9H11BrN2O,,,,,,NOTMJIDCESLOQT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.813,285-624-3,85117-75-5,"1,1-dimethylaziridinium hydrogen sulphate","1,1-dimethylaziridinium hydrogen sulfate",C[N+]1(C)CC1.[O-]S(=O)(=O)[O-],C[N+]1(C)CC1.[O-]S(=O)(=O)[O-],"InChI=1/C4H10N.H2O4S/c1-5(2)3-4-5;1-5(2,3)4/h3-4H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2",C4H10N.HO4S,,,,,,DYBCVRDEBCOXMG-UHFFFAOYSA-L,,,,,,,,,,,
100.077.873,285-690-3,85118-36-1,"2,7-Naphthalenedisulfonic acid, 3-[[4-[2-[4-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-5-amino-4-hydroxy-6-[(4-sulfophenyl)azo]-, heptasodium salt","heptasodium 3-{[4-(2-{4-[(8-acetamido-1-hydroxy-3,6-disulfonato-2-naphthyl)diazenyl]-2-sulfonatophenyl}vinyl)-3-sulfonatophenyl]diazenyl}-5-amino-4-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc1cc(cc(NC(C)=O)c1c(O)c7N=Nc6ccc(C=Cc2ccc(cc2S([O-])(=O)=O)N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc1cc(cc(NC(C)=O)c1c(O)c7N=Nc6ccc(C=Cc2ccc(cc2S([O-])(=O)=O)N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)S([O-])(=O)=O)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C42H32N8O24S7.7Na/c1-19(51)44-29-18-28(76(57,58)59)12-22-13-33(80(69,70)71)39(41(52)35(22)29)49-46-25-6-4-20(30(16-25)77(60,61)62)2-3-21-5-7-26(17-31(21)78(63,64)65)47-50-40-34(81(72,73)74)15-23-14-32(79(66,67)68)38(37(43)36(23)42(40)53)48-45-24-8-10-27(11-9-24)75(54,55)56;;;;;;;/h2-18,52-53H,43H2,1H3,(H,44,51)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;;;;/q;7*+1/p-7",C42H32N8O24S7.7Na,,,,,,AYDSAKUXHSNAJC-UHFFFAOYSA-G,,,,,,,,,,,
100.078.130,285-974-7,85169-31-9,Tributylheptylammonium bromide,"N,N,N-tributylheptan-1-aminium bromide",[Br-].CCCCCCC[N+](CCCC)(CCCC)CCCC,[Br-].CCCCCCC[N+](CCCC)(CCCC)CCCC,"InChI=1/C19H42N.BrH/c1-5-9-13-14-15-19-20(16-10-6-2,17-11-7-3)18-12-8-4;/h5-19H2,1-4H3;1H/q+1;/p-1",C19H42N.Br,,,,,,CMFMTXJHXCLMMS-UHFFFAOYSA-M,,,,,,,,,,,
100.083.733,292-141-1,90552-19-5,"2-Propenoic acid, 2-methyl-, lead salt, basic",-,[Pb].CC(=C)C(O)=O,[Pb].CC(=C)C(O)=O,"InChI=1/C4H6O2.Pb.2H/c1-3(2)4(5)6;;;/h1H2,2H3,(H,5,6);;;/q;+4;;/rC4H6O2.H2Pb/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);1H2/q;+4",-,,,,,,YBKWFQNMOCNHCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.658,288-755-4,85895-81-4,2-(1-ethyl-1-methylpropyl)pyridine,2-(1-ethyl-1-methylpropyl)pyridine,CCC(C)(CC)c1ccccn1,CCC(C)(CC)c1ccccn1,"InChI=1/C11H17N/c1-4-11(3,5-2)10-8-6-7-9-12-10/h6-9H,4-5H2,1-3H3",C11H17N,,,,,,LZBIYSQACJTTQH-UHFFFAOYSA-N,,,,,,,,,,,
100.080.662,288-760-1,85895-85-8,"Disodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4'-[(2-amino-4-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Nc6cc(O)ccc6N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccccc2)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5,[Na+].[Na+].Nc6cc(O)ccc6N=Nc1ccc(cc1)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccccc2)c(O)c3c4N)S([O-])(=O)=O)S([O-])(=O)=O)cc5,"InChI=1/C34H26N8O8S2.2Na/c35-26-18-25(43)14-15-27(26)40-37-23-10-6-19(7-11-23)20-8-12-24(13-9-20)39-41-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)36)42-38-22-4-2-1-3-5-22;;/h1-18,43-44H,35-36H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C34H26N8O8S2.2Na,,,,,,QGKDQABXTBQRNA-UHFFFAOYSA-L,,,,,,,,,,,
100.080.665,288-763-8,85895-88-1,4-hydroxy-3-methyl-5-nitrobenzenesulphonic acid,4-hydroxy-3-methyl-5-nitrobenzenesulfonic acid,Cc1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)O,Cc1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)O,"InChI=1/C7H7NO6S/c1-4-2-5(15(12,13)14)3-6(7(4)9)8(10)11/h2-3,9H,1H3,(H,12,13,14)",C7H7NO6S,,,,,,LCSGKIOMINQRED-UHFFFAOYSA-N,,,,,,,,,,,
100.080.674,288-773-2,85895-97-2,"Sodium 3-[[1-[4-(4-amino-3-methylbenzamido)phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-chloro-4-hydroxybenzenesulphonate","sodium 3-[(1-{4-[(4-amino-3-methylbenzoyl)amino]phenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-chloro-4-hydroxybenzenesulfonate",[Na+].Nc1ccc(cc1C)C(=O)Nc2ccc(cc2)N4/N=C(/C)C(N=Nc3cc(cc(Cl)c3O)S([O-])(=O)=O)C4=O,[Na+].Nc1ccc(cc1C)C(=O)Nc2ccc(cc2)N4/N=C(/C)C(N=Nc3cc(cc(Cl)c3O)S([O-])(=O)=O)C4=O,"InChI=1/C24H21ClN6O6S.Na/c1-12-9-14(3-8-19(12)26)23(33)27-15-4-6-16(7-5-15)31-24(34)21(13(2)30-31)29-28-20-11-17(38(35,36)37)10-18(25)22(20)32;/h3-11,21,32H,26H2,1-2H3,(H,27,33)(H,35,36,37);/q;+1/p-1",C24H21ClN6O6S.Na,,,,,,UXJFTTHZBKGMGU-UHFFFAOYSA-M,,,,,,,,,,,
100.080.675,288-774-8,85895-98-3,"Tetrasodium 2-[[8-[(4-aminobenzoyl)amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","tetrasodium 2-({8-[(4-aminobenzoyl)amino]-1-hydroxy-3,6-disulfonato-2-naphthyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc1ccc(cc1)C(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].Nc1ccc(cc1)C(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C27H20N4O14S4.4Na/c28-15-6-4-13(5-7-15)27(33)29-20-12-16(46(34,35)36)10-14-11-22(48(40,41)42)24(25(32)23(14)20)31-30-19-9-8-17-18(26(19)49(43,44)45)2-1-3-21(17)47(37,38)39;;;;/h1-12,32H,28H2,(H,29,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4",C27H20N4O14S4.4Na,,,,,,KRVFYULTUZOIEZ-UHFFFAOYSA-J,,,,,,,,,,,
100.080.676,288-775-3,85895-99-4,"2-hydroxynaphthalene-1,4-disulphonic acid","2-hydroxynaphthalene-1,4-disulfonic acid",Oc1cc(c2ccccc2c1S(=O)(=O)O)S(=O)(=O)O,Oc1cc(c2ccccc2c1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C10H8O7S2/c11-8-5-9(18(12,13)14)6-3-1-2-4-7(6)10(8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)",C10H8O7S2,,,,,,BCIGEHNLIIQCBS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.005,288-036-5,85631-86-3,"Trisodium 4-[[3-[[3-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulphonatophenyl)azo]-1H-pyrazol-1-yl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 5-({2,4-dihydroxy-3-[(3-{3-methyl-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazol-1-yl}phenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc7cc(cc(N=Nc4ccc(O)c(N=Nc1cccc(c1)N3/N=C(/C)C(N=Nc2ccc(cc2)S([O-])(=O)=O)C3=O)c4O)c7c(O)c6N=Nc5ccccc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc7cc(cc(N=Nc4ccc(O)c(N=Nc1cccc(c1)N3/N=C(/C)C(N=Nc2ccc(cc2)S([O-])(=O)=O)C3=O)c4O)c7c(O)c6N=Nc5ccccc5)S([O-])(=O)=O,"InChI=1/C38H28N10O13S3.3Na/c1-20-33(44-40-23-10-12-26(13-11-23)62(53,54)55)38(52)48(47-20)25-9-5-8-24(18-25)41-45-34-30(49)15-14-28(36(34)50)42-43-29-19-27(63(56,57)58)16-21-17-31(64(59,60)61)35(37(51)32(21)29)46-39-22-6-3-2-4-7-22;;;/h2-19,33,49-51H,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3",C38H28N10O13S3.3Na,,,,,,OUOXBRUBQVVMAO-UHFFFAOYSA-K,,,,,,,,,,,
100.080.006,288-037-0,85631-87-4,"Trisodium 4-hydroxy-5-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]-3-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-hydroxy-5-[(2-hydroxy-4-{[3-hydroxy-4-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]amino}phenyl)diazenyl]-3-[(4-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc3cc(ccc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)Nc7ccc(N=Nc6cc(cc5cc(c(N=Nc4ccc(OC)cc4)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c7,[Na+].[Na+].[Na+].Oc3cc(ccc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)Nc7ccc(N=Nc6cc(cc5cc(c(N=Nc4ccc(OC)cc4)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c7,"InChI=1/C41H31N9O15S3.3Na/c1-65-29-11-6-25(7-12-29)45-49-40-38(68(62,63)64)17-22-16-30(66(56,57)58)21-34(39(22)41(40)53)48-47-32-14-9-27(19-36(32)52)42-26-8-13-31(35(51)18-26)46-44-24-4-2-23(3-5-24)43-33-15-10-28(50(54)55)20-37(33)67(59,60)61;;;/h2-21,42-43,51-53H,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3",C41H31N9O15S3.3Na,,,,,,HZRDKBJAWNKKKU-UHFFFAOYSA-K,,,,,,,,,,,
100.081.780,289-992-6,90060-06-3,"N',N'''-dimesyl-N,N''-dimethyl-5,6-dithia-2,9-diazadecanediamidine","N-[1,10-bis(methylamino)-12,12-dioxido-5,6,12-trithia-2,9,11-triazatridec-10-en-1-ylidene]methanesulfonamide (non-preferred name)",CNC(NCCSSCCNC(=NS(C)(=O)=O)NC)=NS(C)(=O)=O,CNC(NCCSSCCNC(=NS(C)(=O)=O)NC)=NS(C)(=O)=O,"InChI=1/C10H24N6O4S4/c1-11-9(15-23(3,17)18)13-5-7-21-22-8-6-14-10(12-2)16-24(4,19)20/h5-8H2,1-4H3,(H2,11,13,15)(H2,12,14,16)",C10H24N6O4S4,,,,,,FLOFMJRPUSLRKL-UHFFFAOYSA-N,,,,,,,,,,,
100.080.034,288-067-4,85650-59-5,"6,7,8,9-tetrahydro-3,7-dimethyl-5H-dibenz[b,i][1,6]oxazecinium hydrogen maleate","3,7-dimethyl-6,7,8,9-tetrahydro-5H-dibenzo[b,i][1,6]oxazecin-7-ium hydrogen but-2-enedioate",C[NH+]1CCc2ccccc2Oc3ccc(C)cc3CC1.[O-]C(=O)\\C=C/C(=O)[O-],C[NH+]1CCc2ccccc2Oc3ccc(C)cc3CC1.[O-]C(=O)\C=C/C(=O)[O-],"InChI=1/C18H21NO.C4H4O4/c1-14-7-8-18-16(13-14)10-12-19(2)11-9-15-5-3-4-6-17(15)20-18;5-3(6)1-2-4(7)8/h3-8,13H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1",C18H21NO.C4H4O4,,,,,,OZEXFQGIWSAAES-BTJKTKAUSA-M,,,,,,,,,,,
100.080.036,288-070-0,85650-61-9,"Trisodium 5-[[4-chloro-6-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(p-tolyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[(4-chloro-6-{[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methylphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Cc1ccc(cc1)N=Nc2c(O)c7c(cc2S([O-])(=O)=O)cc(cc7Nc3nc(nc(Cl)n3)Nc4ccc(cc4)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].Cc1ccc(cc1)N=Nc2c(O)c7c(cc2S([O-])(=O)=O)cc(cc7Nc3nc(nc(Cl)n3)Nc4ccc(cc4)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C34H25ClN8O10S4.3Na/c1-16-3-8-21(9-4-16)42-43-27-25(56(48,49)50)14-19-13-22(55(45,46)47)15-24(26(19)28(27)44)38-34-40-32(35)39-33(41-34)36-20-10-6-18(7-11-20)31-37-23-12-5-17(2)30(29(23)54-31)57(51,52)53;;;/h3-15,44H,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,36,38,39,40,41);;;/q;3*+1/p-3",C34H25ClN8O10S4.3Na,,,,,,SHZOIXHRIIIBKW-UHFFFAOYSA-K,,,,,,,,,,,
100.080.039,288-073-7,85650-64-2,2-acetamido-4-[(4-aminobenzoyl)amino]benzenesulphonamide,N-(3-acetamido-4-sulfamoylphenyl)-4-aminobenzamide,CC(=O)Nc1cc(NC(=O)c2ccc(N)cc2)ccc1S(=O)(=O)N,CC(=O)Nc1cc(NC(=O)c2ccc(N)cc2)ccc1S(=O)(=O)N,"InChI=1/C15H16N4O4S/c1-9(20)18-13-8-12(6-7-14(13)24(17,22)23)19-15(21)10-2-4-11(16)5-3-10/h2-8H,16H2,1H3,(H,18,20)(H,19,21)(H2,17,22,23)",C15H15N3O5S,,,,,,BUNLZXBXEKQPSM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.041,288-075-8,85650-66-4,6-amino-5-[[4-(benzoylamino)-2-[(p-tolyl)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-5-({4-(benzoylamino)-2-[(4-methylphenyl)sulfonyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonic acid,Cc1ccc(cc1)S(=O)(=O)c5cc(NC(=O)c2ccccc2)ccc5N=Nc3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O,Cc1ccc(cc1)S(=O)(=O)c5cc(NC(=O)c2ccccc2)ccc5N=Nc3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O,"InChI=1/C30H24N4O7S2/c1-18-7-11-22(12-8-18)42(37,38)27-16-21(32-30(36)19-5-3-2-4-6-19)10-14-25(27)33-34-29-24(31)13-9-20-15-23(43(39,40)41)17-26(35)28(20)29/h2-17,35H,31H2,1H3,(H,32,36)(H,39,40,41)",C30H24N4O7S2,,,,,,MYYHYTZWDYIFAP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.060,288-096-2,85650-86-8,Di-sec-butyldimethylnaphthalene,"1,2-di-sec-butyl-3,4-dimethylnaphthalene",CCC(C)c1c(C)c(C)c2ccccc2c1C(C)CC,CCC(C)c1c(C)c(C)c2ccccc2c1C(C)CC,"InChI=1/C20H28/c1-7-13(3)19-16(6)15(5)17-11-9-10-12-18(17)20(19)14(4)8-2/h9-14H,7-8H2,1-6H3",C20H28,,,,,,XSAHKZLTMQUPIO-UHFFFAOYSA-N,,,,,,,,,,,
100.091.280,300-454-2,93940-57-9,Lithium 1-methylnaphthalenesulphonate,"lithium 1-methyl-1,2-dihydronaphthalene-1-sulfonate",[Li+].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-],[Li+].CC1(CC=Cc2ccccc12)S(=O)(=O)[O-],"InChI=1/C11H12O3S.Li/c1-11(15(12,13)14)8-4-6-9-5-2-3-7-10(9)11;/h2-7H,8H2,1H3,(H,12,13,14);/q;+1/p-1",C11H10O3S.Li,,,,,,TWYJJCQNWVAUET-UHFFFAOYSA-M,,,,,,,,,,,
100.091.282,300-456-3,93940-59-1,"(1a,2ß,5a)-2-isopropyl-5-methylcyclohexyl octanoate",2-isopropyl-5-methylcyclohexyl octanoate,CCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,CCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,"InChI=1/C18H34O2/c1-5-6-7-8-9-10-18(19)20-17-13-15(4)11-12-16(17)14(2)3/h14-17H,5-13H2,1-4H3",C18H34O2,,,,,,YBENVMAMNHOPRF-BBWFWOEESA-N,,,,,,,,,,,
100.091.288,300-463-1,93940-65-9,4-[[(4-methoxyphenyl)methylhydrazono]methyl]-1-methylpyridinium chloride,4-[(4-methoxybenzyl)carbonohydrazonoyl]-1-methylpyridinium chloride,[Cl-].COc1ccc(cc1)CNN=Cc2cc[n+](C)cc2,[Cl-].COc1ccc(cc1)CNN=Cc2cc[n+](C)cc2,"InChI=1/C15H17N3O.ClH/c1-18-9-7-14(8-10-18)12-17-16-11-13-3-5-15(19-2)6-4-13;/h3-10,12H,11H2,1-2H3;1H",C15H18N3O.Cl,,,,,,RFJMBPVMHMWBRM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.293,300-468-9,93940-70-6,"Tetrasodium 4-[[5-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","tetrasodium 4-{[5-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]diazenyl}-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4\\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O,"InChI=1/C25H18ClN9O12S3.4Na/c26-23-29-24(27-12-1-6-15(7-2-12)48(39,40)41)31-25(30-23)28-13-3-10-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-4-8-16(9-5-14)49(42,43)44;;;;/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31);;;;/q;4*+1/p-4",C25H18ClN9O12S3.4Na,,,,,,UJYFKPYYLVPACP-UHFFFAOYSA-J,,,,,,,,,,,
100.091.294,300-469-4,93940-71-7,"Disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate","disodium 2-{[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoate",[Na+].[Na+].[O-]C(=O)c3ccccc3N=NC2C(\\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O,[Na+].[Na+].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O,"InChI=1/C17H13ClN4O6S.2Na/c1-9-15(20-19-13-5-3-2-4-11(13)17(24)25)16(23)22(21-9)14-8-10(29(26,27)28)6-7-12(14)18;;/h2-8,15H,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2",C17H13ClN4O6S.2Na,,,,,,CHUNQEDEAHOMIC-UHFFFAOYSA-L,,,,,,,,,,,
100.091.298,300-474-1,93940-75-1,"5-oxo-L-proline, compound with methyl (2S-trans)-6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-D-erythro-a-D-galacto-octopyranoside (1:1)","5-oxo-L-proline - methyl 6,8-dideoxy-6-[(1-methyl-4-propylprolyl)amino]-1-thio-D-erythro-beta-L-gluco-octopyranoside (1:1)",CCCC1CC(N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O.OC(=O)[C@@H]3CCC(=O)N3,CCCC1CC(N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C18H34N2O6S.C5H7NO3/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;7-4-2-1-3(6-4)5(8)9/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);3H,1-2H2,(H,6,7)(H,8,9)",C18H34N2O6S.C5H7NO3,,,,,,WSTDLQJUQZEJMK-DJZDKFNVSA-N,,,,,,,,,,,
100.092.769,302-093-6,94088-90-1,"16a,17-epoxypregna-4,9(11)-diene-3,20-dione","16,17-epoxypregna-4,9(11)-diene-3,20-dione",CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)C4=CC[C@]23C,CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)C4=CC[C@]23C,"InChI=1/C21H26O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h7,10,15,17-18H,4-6,8-9,11H2,1-3H3",C21H26O3,,,,,,IPXGZQHGJWTQTD-UERYMFTHSA-N,,,,,,,,,,,
100.092.772,302-096-2,94088-94-5,"3,3'-sulphonyldipropionyl dichloride","3,3'-sulfonyldipropanoyl chloride",ClC(=O)CCS(=O)(=O)CCC(=O)Cl,ClC(=O)CCS(=O)(=O)CCC(=O)Cl,"InChI=1/C6H8Cl2O4S/c7-5(9)1-3-13(11,12)4-2-6(8)10/h1-4H2",C6H8Cl2O4S,,,,,,IGGIVQUWQUIPLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.779,302-103-9,94089-01-7,(E)-hex-2-enyl 2-methylbutyrate,hex-2-en-1-yl 2-methylbutanoate,CCC\\C=C\\COC(=O)C(C)CC,CCC\C=C\COC(=O)C(C)CC,"InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3",C11H20O2,,,,,,SXJKRFLZGRFPBD-BQYQJAHWSA-N,,,,,,,,,,,
100.092.784,302-109-1,94089-07-3,2-bromo-4-(diethylamino)benzaldehyde 2-naphthylphenylhydrazone,"3-bromo-N,N-diethyl-4-[2-naphthyl(phenyl)carbonohydrazonoyl]aniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3ccc4ccccc4c3)c(Br)c1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3ccc4ccccc4c3)c(Br)c1,"InChI=1/C27H26BrN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3",C27H26BrN3,,,,,,SMAVSXJWCJFFPT-ZTKZIYFRSA-N,,,,,,,,,,,
100.092.785,302-110-7,94089-08-4,2-bromo-4-(diethylamino)benzaldehyde 1-naphthylphenylhydrazone,"3-bromo-N,N-diethyl-4-[1-naphthyl(phenyl)carbonohydrazonoyl]aniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3cccc4ccccc34)c(Br)c1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3cccc4ccccc34)c(Br)c1,"InChI=1/C27H26BrN3/c1-3-30(4-2)24-18-17-22(26(28)19-24)20-29-31(23-13-6-5-7-14-23)27-16-10-12-21-11-8-9-15-25(21)27/h5-20H,3-4H2,1-2H3",C27H26BrN3,,,,,,BWQOPJOHNCAMOY-ZTKZIYFRSA-N,,,,,,,,,,,
100.077.814,285-625-9,85117-76-6,"Sodium 1-amino-4-((4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-9,10-dihydro-9,10-dioxoanthracenesulphonate","sodium 1-amino-4-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-9,10-dioxo-1,2,9,10-tetrahydroanthracene-1-sulfonate",[Na+].Nc1ccc(NC2=CCC(N)(C3=C2C(=O)c4ccccc4C3=O)S(=O)(=O)[O-])c5C(=O)c6ccccc6C(=O)c15,[Na+].Nc1ccc(NC2=CCC(N)(C3=C2C(=O)c4ccccc4C3=O)S(=O)(=O)[O-])c5C(=O)c6ccccc6C(=O)c15,"InChI=1/C28H19N3O7S.Na/c29-17-9-10-18(21-20(17)24(32)13-5-1-2-6-14(13)25(21)33)31-19-11-12-28(30,39(36,37)38)23-22(19)26(34)15-7-3-4-8-16(15)27(23)35;/h1-11,31H,12,29-30H2,(H,36,37,38);/q;+1/p-1",C28H17N3O7S.Na,,,,,,KBTPDPYAQDNEIH-UHFFFAOYSA-M,,,,,,,,,,,
100.077.816,285-628-5,85117-78-8,"4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]disulfophenyl]amino]-10-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulfophenyl]amino]-, pentasodium salt","pentasodium 6,13-dichloro-3-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,3-disulfonatophenyl}amino)-10-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}amino)[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc9ccc(Nc2ccc3\\N=C7/C(/Oc3c2S([O-])(=O)=O)=C(/Cl)\\C6=N\\c8ccc(Nc5ccc(Nc4nc(Cl)nc(Cl)n4)c(c5S([O-])(=O)=O)S([O-])(=O)=O)c(c8O/C6=C7\\Cl)S([O-])(=O)=O)c(c9)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc9ccc(Nc2ccc3\N=C7/C(/Oc3c2S([O-])(=O)=O)=C(/Cl)\C6=N\c8ccc(Nc5ccc(Nc4nc(Cl)nc(Cl)n4)c(c5S([O-])(=O)=O)S([O-])(=O)=O)c(c8O/C6=C7\Cl)S([O-])(=O)=O)c(c9)S([O-])(=O)=O,"InChI=1/C36H18Cl6N12O17S5.5Na/c37-19-22-26(71-24-13(47-22)4-6-15(28(24)74(61,62)63)45-16-7-8-17(48-36-53-33(41)50-34(42)54-36)30(76(67,68)69)29(16)75(64,65)66)20(38)21-25(19)70-23-12(46-21)3-5-14(27(23)73(58,59)60)44-11-2-1-10(9-18(11)72(55,56)57)43-35-51-31(39)49-32(40)52-35;;;;;/h1-9,44-45H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,43,49,51,52)(H,48,50,53,54);;;;;/q;5*+1/p-5",C36H18Cl6N12O17S5.5Na,,,,,,GGQBQEJERSCVRO-UHFFFAOYSA-I,,,,,,,,,,,
100.077.822,285-634-8,85117-84-6,"(Z)-1-(9-octadecenyl)imidazolidine-2,4-dione","1-octadec-9-en-1-ylimidazolidine-2,4-dione",CCCCCCCC\\C=C/CCCCCCCCN1CC(=O)NC1=O,CCCCCCCC\C=C/CCCCCCCCN1CC(=O)NC1=O,"InChI=1/C21H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20(24)22-21(23)25/h9-10H,2-8,11-19H2,1H3,(H,22,24,25)",C21H38N2O2,,,,,,SQIFBRMDYIBIHY-KTKRTIGZSA-N,,,,,,,,,,,
100.077.823,285-635-3,85117-85-7,"2-[(2,2-diethoxyethyl)thio]-1,1,1-trifluoroethane","2-[(2,2-diethoxyethyl)sulfanyl]-1,1,1-trifluoroethane",CCOC(CSCC(F)(F)F)OCC,CCOC(CSCC(F)(F)F)OCC,"InChI=1/C8H15F3O2S/c1-3-12-7(13-4-2)5-14-6-8(9,10)11/h7H,3-6H2,1-2H3",C8H15F3O2S,,,,,,ZSWGNKLWMBBFOG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.824,285-636-9,85117-86-8,"3-bromo-2,4,6-trichlorophenol","3-bromo-2,4,6-trichlorophenol",Oc1c(Cl)cc(Cl)c(Br)c1Cl,Oc1c(Cl)cc(Cl)c(Br)c1Cl,"InChI=1/C6H2BrCl3O/c7-4-2(8)1-3(9)6(11)5(4)10/h1,11H",C6H2BrCl3O,,,,,,WCSDJPCZARJMHN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.835,285-648-4,85117-97-1,"2-(dibutylamino)-8-(diethylamino)-4-methylspiro[5H-[1]benzopyrano[2,3-d]pyrimidine-5,1'(3'H)-isobenzofuran]-3'-one","2'-(dibutylamino)-8'-(diethylamino)-4'-methyl-3H-spiro[2-benzofuran-1,5'-chromeno[2,3-d]pyrimidin]-3-one",CCCCN(CCCC)c1nc(C)c2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)N(CC)CC)n1,CCCCN(CCCC)c1nc(C)c2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)N(CC)CC)n1,"InChI=1/C31H38N4O3/c1-6-10-18-35(19-11-7-2)30-32-21(5)27-28(33-30)37-26-20-22(34(8-3)9-4)16-17-25(26)31(27)24-15-13-12-14-23(24)29(36)38-31/h12-17,20H,6-11,18-19H2,1-5H3",C31H38N4O3,,,,,,OMSKQMSAXYSLLE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.836,285-650-5,85117-98-2,N-(2-ethylhexyl)-2-nitroaniline,N-(2-ethylhexyl)-2-nitroaniline,CCCCC(CC)CNc1ccccc1[N+](=O)[O-],CCCCC(CC)CNc1ccccc1[N+](=O)[O-],"InChI=1/C14H22N2O2/c1-3-5-8-12(4-2)11-15-13-9-6-7-10-14(13)16(17)18/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3",C14H22N2O2,,,,,,YFGJRQXFOUTWBF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.843,285-657-3,85118-05-4,"3,4-difluorobenzyl alcohol","(3,4-difluorophenyl)methanol",OCc1ccc(F)c(F)c1,OCc1ccc(F)c(F)c1,"InChI=1/C7H6F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2",C7H6F2O,,,,,,GNQLTCVBSGVGHC-UHFFFAOYSA-N,,,,,,,,,,,
100.077.845,285-659-4,85118-07-6,"3,4-difluorobenzophenone","(3,4-difluorophenyl)(phenyl)methanone",Fc1ccc(cc1F)C(=O)c2ccccc2,Fc1ccc(cc1F)C(=O)c2ccccc2,InChI=1/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,C13H8F2O,,,,,,ZJTYHSBOZAQQGF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.862,285-678-8,85118-25-8,"1,3-dihydro-1-oxoisobenzofuran-5-carboxamide","1-oxo-1,3-dihydro-2-benzofuran-5-carboxamide",NC(=O)c1ccc2C(=O)OCc2c1,NC(=O)c1ccc2C(=O)OCc2c1,"InChI=1/C9H7NO3/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H2,10,11)",C9H7NO3,,,,,,VOWKISVRIBSFMO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.863,285-679-3,85118-26-9,3-chloro-1-(4-fluorophenyl)-5-(trifluoromethyl)indan,3-chloro-1-(4-fluorophenyl)-5-(trifluoromethyl)indane,Fc1ccc(cc1)C2CC(Cl)c3cc(ccc23)C(F)(F)F,Fc1ccc(cc1)C2CC(Cl)c3cc(ccc23)C(F)(F)F,"InChI=1/C16H11ClF4/c17-15-8-13(9-1-4-11(18)5-2-9)12-6-3-10(7-14(12)15)16(19,20)21/h1-7,13,15H,8H2",C16H11ClF4,,,,,,JAHJABLOCCBITR-UHFFFAOYSA-N,,,,,,,,,,,
100.077.868,285-685-6,85118-31-6,"Ethyl 10-[(hydroxyamino)carbonyl]-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate","ethyl 10-(hydroxycarbamoyl)-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate",CCOC(=O)N1CCC(C(=O)NO)C2(C1)OCCO2,CCOC(=O)N1CCC(C(=O)NO)C2(C1)OCCO2,"InChI=1/C11H18N2O6/c1-2-17-10(15)13-4-3-8(9(14)12-16)11(7-13)18-5-6-19-11/h8,16H,2-7H2,1H3,(H,12,14)",C11H18N2O6,,,,,,JHTKPBKBAXEUPX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.682,288-782-1,85896-05-5,"Sodium (R)-a-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate","sodium cyclohexa-1,4-dien-1-yl[(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate",[Na+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\\C=C/CC=1,[Na+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\C=C/CC=1,"InChI=1/C14H19NO4.Na/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-5,8-9,13,15H,3,6-7H2,1-2H3,(H,17,18);/q;+1/p-1",C14H19NO4.Na,,,,,,JGPJVJHNIHGNNG-BTQNPOSSSA-M,,,,,,,,,,,
100.080.685,288-785-8,85896-08-8,N-(5-chloro-2-methoxy-4-nitrophenyl)pyridin-2-amine,N-(5-chloro-2-methoxy-4-nitrophenyl)pyridin-2-amine,COc1cc(c(Cl)cc1Nc2ccccn2)[N+](=O)[O-],COc1cc(c(Cl)cc1Nc2ccccn2)[N+](=O)[O-],"InChI=1/C12H10ClN3O3/c1-19-11-7-10(16(17)18)8(13)6-9(11)15-12-4-2-3-5-14-12/h2-7H,1H3,(H,14,15)",C12H10ClN3O3,,,,,,REVBFPFZYQRHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.688,288-788-4,85896-11-3,2-chloro-5-(4-chlorophenoxy)-4-dimethylaminoaniline,"5-chloro-2-(4-chlorophenoxy)-N,N-dimethylbenzene-1,4-diamine",CN(C)c1cc(Cl)c(N)cc1Oc2ccc(Cl)cc2,CN(C)c1cc(Cl)c(N)cc1Oc2ccc(Cl)cc2,"InChI=1/C14H14Cl2N2O/c1-18(2)13-7-11(16)12(17)8-14(13)19-10-5-3-9(15)4-6-10/h3-8H,17H2,1-2H3",C14H14Cl2N2O,,,,,,VVCPHTYRZMNORC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.689,288-790-5,85896-12-4,"2,5-dimethoxy-4-(p-tolylthio)aniline","2,5-dimethoxy-4-[(4-methylphenyl)sulfanyl]aniline",COc1cc(Sc2ccc(C)cc2)c(OC)cc1N,COc1cc(Sc2ccc(C)cc2)c(OC)cc1N,"InChI=1/C15H17NO2S/c1-10-4-6-11(7-5-10)19-15-9-13(17-2)12(16)8-14(15)18-3/h4-9H,16H2,1-3H3",C15H17NO2S,,,,,,AXYUSGZRCTVXRG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.693,288-794-7,85896-17-9,Ethyltris(2-hydroxypropyl)ammonium ethyl sulphate,"N-ethyl-2-hydroxy-N,N-bis(2-hydroxypropyl)propan-1-aminium ethyl sulfate",CCOS(=O)(=O)[O-].CC[N+](CC(C)O)(CC(C)O)CC(C)O,CCOS(=O)(=O)[O-].CC[N+](CC(C)O)(CC(C)O)CC(C)O,"InChI=1/C11H26NO3.C2H6O4S/c1-5-12(6-9(2)13,7-10(3)14)8-11(4)15;1-2-6-7(3,4)5/h9-11,13-15H,5-8H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C11H26NO3.C2H5O4S,,,,,,GWKCOEMKRSBYAA-UHFFFAOYSA-M,,,,,,,,,,,
100.080.700,288-801-3,85896-25-9,"2,2'-[[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]imino]bisethanol","2,2'-{[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]imino}diethanol",OCCN(CCO)c1nc(OCC=C)nc(OCC=C)n1,OCCN(CCO)c1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C13H20N4O4/c1-3-9-20-12-14-11(17(5-7-18)6-8-19)15-13(16-12)21-10-4-2/h3-4,18-19H,1-2,5-10H2",C13H20N4O4,,,,,,YAQKVHDUVGFABU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.701,288-802-9,85896-26-0,"4,6-diallyloxy-2-decyloxy-1,3,5-triazine","2,4-bis(allyloxy)-6-(decyloxy)-1,3,5-triazine",CCCCCCCCCCOc1nc(OCC=C)nc(OCC=C)n1,CCCCCCCCCCOc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C19H31N3O3/c1-4-7-8-9-10-11-12-13-16-25-19-21-17(23-14-5-2)20-18(22-19)24-15-6-3/h5-6H,2-4,7-16H2,1H3",C19H31N3O3,,,,,,SPKLHDQJUGTSTI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.703,288-805-5,85896-28-2,"4,6-di(allyloxy)-2-(4-nonylphenoxy)-1,3,5-triazine","2,4-bis(allyloxy)-6-(4-nonylphenoxy)-1,3,5-triazine",CCCCCCCCCc1ccc(Oc2nc(OCC=C)nc(OCC=C)n2)cc1,CCCCCCCCCc1ccc(Oc2nc(OCC=C)nc(OCC=C)n2)cc1,"InChI=1/C24H33N3O3/c1-4-7-8-9-10-11-12-13-20-14-16-21(17-15-20)30-24-26-22(28-18-5-2)25-23(27-24)29-19-6-3/h5-6,14-17H,2-4,7-13,18-19H2,1H3",C24H33N3O3,,,,,,MDHFWELCWRCKNY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.706,288-808-1,85896-31-7,Tetradec-13-enal,tetradec-13-enal,C=CCCCCCCCCCCCC=O,C=CCCCCCCCCCCCC=O,"InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,14H,1,3-13H2",C14H26O,,,,,,ZVJRAGVPKPPDKE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.735,288-840-6,85909-37-1,"3-[[(2,3-dihydro-3-oxo-1H-indazol-6-yl)amino]carbonyl]nonadecan-1-oic acid","3-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)carbamoyl]nonadecanoic acid",CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)Nc1ccc2C(=O)NNc2c1,CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)Nc1ccc2C(=O)NNc2c1,"InChI=1/C27H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(19-25(31)32)26(33)28-22-17-18-23-24(20-22)29-30-27(23)34/h17-18,20-21H,2-16,19H2,1H3,(H,28,33)(H,31,32)(H2,29,30,34)",C27H43N3O4,,,,,,UTAKXHOICGSYCA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.736,288-841-1,85909-38-2,2-[(1-ethyl-3-methylpentylidene)amino]ethanol,2-[(1-ethyl-3-methylpentylidene)amino]ethanol,CCC(CC(C)CC)=NCCO,CCC(CC(C)CC)=NCCO,"InChI=1/C10H21NO/c1-4-9(3)8-10(5-2)11-6-7-12/h9,12H,4-8H2,1-3H3",C10H21NO,,,,,,OSNSQCLFYFFSMC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.739,288-844-8,85909-41-7,3-phenylpropyl acrylate,3-phenylpropyl acrylate,C=CC(=O)OCCCc1ccccc1,C=CC(=O)OCCCc1ccccc1,"InChI=1/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2",C12H14O2,,,,,,PKBZUGSITIBLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.507,288-589-2,85765-06-6,"2,2'-(naphthalene-1,4-diyl)bis[5-[1,1'-biphenyl]-4-yl-1,3,4-oxadiazole]","2,2'-naphthalene-1,4-diylbis(5-biphenyl-4-yl-1,3,4-oxadiazole)",o1c(nnc1c2ccc(c3oc(nn3)c4ccc(cc4)c5ccccc5)c6ccccc26)c7ccc(cc7)c8ccccc8,o1c(nnc1c2ccc(c3oc(nn3)c4ccc(cc4)c5ccccc5)c6ccccc26)c7ccc(cc7)c8ccccc8,InChI=1/C38H24N4O2/c1-3-9-25(10-4-1)27-15-19-29(20-16-27)35-39-41-37(43-35)33-23-24-34(32-14-8-7-13-31(32)33)38-42-40-36(44-38)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24H,C38H24N4O2,,,,,,PCFFWUSPULMRMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.510,288-592-9,85798-66-9,"(5a,8a,9a,11R*)-2,3-dichloro-11-(dimethylamino)-5,6,7,8,9,10-hexahydro-5,9-methanobenzocycloocten-8-ol hydrochloride","2,3-dichloro-11-(dimethylamino)-5,6,7,8,9,10-hexahydro-5,9-methanobenzo[8]annulen-8-ol hydrochloride",Cl.CN(C)C1[C@@H]2Cc3cc(Cl)c(Cl)cc3[C@H]1CC[C@@H]2O,Cl.CN(C)C1[C@@H]2Cc3cc(Cl)c(Cl)cc3[C@H]1CC[C@@H]2O,"InChI=1/C15H19Cl2NO.ClH/c1-18(2)15-9-3-4-14(19)11(15)5-8-6-12(16)13(17)7-10(8)9;/h6-7,9,11,14-15,19H,3-5H2,1-2H3;1H",C15H19Cl2NO.ClH,,,,,,GNXQBSCRDXYPLG-CZQKSLNSSA-N,,,,,,,,,,,
100.080.069,288-106-5,85650-95-9,Methyl 2-[[(dimethylcyclohexenyl)methylene]amino]benzoate,"methyl 2-{[(2,3-dimethylcyclohex-1-en-1-yl)methylene]amino}benzoate",COC(=O)c2ccccc2N=CC=1CCCC(C)C=1C,COC(=O)c2ccccc2N=CC=1CCCC(C)C=1C,"InChI=1/C17H21NO2/c1-12-7-6-8-14(13(12)2)11-18-16-10-5-4-9-15(16)17(19)20-3/h4-5,9-12H,6-8H2,1-3H3",C17H21NO2,,,,,,WQTAUSMJLGVFOU-UHFFFAOYSA-N,,,,,,,,,,,
100.085.671,294-277-7,91697-15-3,"Octadecen-1-ol, phosphate, potassium salt",-,[K+].[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC,[K+].[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC,"InChI=1/C18H37O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h17-18H,2-16H2,1H3,(H2,19,20,21);/q;+1/p-2",-,,,,,,NEDSNWKGHFDNET-UHFFFAOYSA-L,,,,,,,,,,,
100.085.672,294-278-2,91697-16-4,"Octadecen-1-ol, phosphate, sodium salt",-,[Na+].[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC,[Na+].[O-]P([O-])(=O)OC=CCCCCCCCCCCCCCCCC,"InChI=1/C18H37O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h17-18H,2-16H2,1H3,(H2,19,20,21);/q;+1/p-2",-,,,,,,QRESWVGOWWEGDP-UHFFFAOYSA-L,,,,,,,,,,,
100.080.076,288-113-3,85661-30-9,Bis(3-methoxypropyl) phthalate,bis(3-methoxypropyl) phthalate,COCCCOC(=O)c1ccccc1C(=O)OCCCOC,COCCCOC(=O)c1ccccc1C(=O)OCCCOC,"InChI=1/C16H22O6/c1-19-9-5-11-21-15(17)13-7-3-4-8-14(13)16(18)22-12-6-10-20-2/h3-4,7-8H,5-6,9-12H2,1-2H3",C16H22O6,,,,,,BLXLORWYXGINLY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.078,288-115-4,85661-32-1,2-ethylhexyl 3-methoxypropyl phthalate,2-ethylhexyl 3-methoxypropyl phthalate,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCCCOC,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCCCOC,"InChI=1/C20H30O5/c1-4-6-10-16(5-2)15-25-20(22)18-12-8-7-11-17(18)19(21)24-14-9-13-23-3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3",C20H30O5,,,,,,ISLYGGZIEGTHIQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.099,288-139-5,85665-50-5,"15-hydroxy-4,7,10,13-tetraazahexadecanenitrile","15-hydroxy-4,7,10,13-tetraazahexadecane-1-nitrile",CC(O)CNCCNCCNCCNCCC#N,CC(O)CNCCNCCNCCNCCC#N,"InChI=1/C12H27N5O/c1-12(18)11-17-10-9-16-8-7-15-6-5-14-4-2-3-13/h12,14-18H,2,4-11H2,1H3",C12H27N5O,,,,,,MSLZKPMVJKWTJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.102,288-142-1,85665-53-8,3-butyl-2-phenylpyridine,3-butyl-2-phenylpyridine,CCCCc1cccnc1c2ccccc2,CCCCc1cccnc1c2ccccc2,"InChI=1/C15H17N/c1-2-3-8-13-11-7-12-16-15(13)14-9-5-4-6-10-14/h4-7,9-12H,2-3,8H2,1H3",C15H17N,,,,,,LHANIEZCHUJHPB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.108,288-148-4,85665-59-4,Methyl 1-(chlorocarbonyl)-L-prolinate,methyl 1-(chlorocarbonyl)-L-prolinate,COC(=O)[C@@H]1CCCN1C(=O)Cl,COC(=O)[C@@H]1CCCN1C(=O)Cl,"InChI=1/C7H10ClNO3/c1-12-6(10)5-3-2-4-9(5)7(8)11/h5H,2-4H2,1H3",C7H10ClNO3,,,,,,YUCJQEDFNSFKNN-YFKPBYRVSA-N,,,,,,,,,,,
100.083.377,291-749-4,90471-79-7,(R)-(3-carboxy-2-hydroxypropyl)trimethylammonium hydrogen fumarate,"3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium hydrogen but-2-enedioate",C[N+](C)(C)C[C@H](O)CC(=O)O.[O-]C(=O)\\C=C\\C(=O)[O-],C[N+](C)(C)C[C@H](O)CC(=O)O.[O-]C(=O)\C=C\C(=O)[O-],"InChI=1/C7H15NO3.C4H4O4/c1-8(2,3)5-6(9)4-7(10)11;5-3(6)1-2-4(7)8/h6,9H,4-5H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-1",C7H16NO3.C4H3O4,,,,,,HNSUOMBUJRUZHJ-UEMBJLSASA-M,,,,,,,,,,,
100.084.534,293-022-7,91036-71-4,Magnesium bis[heptadecafluorooctanesulphonate],"magnesium bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate)",[Mg+2].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[Mg+2].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/2C8HF17O3S.Mg/c2*9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h2*(H,26,27,28);/q;;+2/p-2",C8HF17O3S.1/2Mg,,,,,,KZCDJBJGWSCZRY-UHFFFAOYSA-L,,,,,,,,,,,
100.080.115,288-156-8,85665-66-3,Potassium N-propyl-N-[(tridecafluorohexyl)sulphonyl]glycinate,potassium {propyl[(tridecafluorohexyl)sulfonyl]amino}acetate,[K+].CCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].CCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H10F13NO4S.K/c1-2-3-25(4-5(26)27)30(28,29)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22;/h2-4H2,1H3,(H,26,27);/q;+1/p-1",C11H10F13NO4S.K,,,,,,YRNYBYSOOCBZHR-UHFFFAOYSA-M,,,,,,,,,,,
100.080.117,288-158-9,85665-68-5,Diethyl [2-(1-naphthylamino)ethyl]phosphonate,diethyl [2-(1-naphthylamino)ethyl]phosphonate,CCOP(=O)(CCNc1cccc2ccccc12)OCC,CCOP(=O)(CCNc1cccc2ccccc12)OCC,"InChI=1/C16H22NO3P/c1-3-19-21(18,20-4-2)13-12-17-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17H,3-4,12-13H2,1-2H3",C16H22NO3P,,,,,,TWRSIHFMRALFNP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.119,288-161-5,85665-70-9,"Diethyl [2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]malonate","diethyl [2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]malonate",CCOC(=O)C(=CCC1CC=C(C)C1(C)C)C(=O)OCC,CCOC(=O)C(=CCC1CC=C(C)C1(C)C)C(=O)OCC,"InChI=1/C17H26O4/c1-6-20-15(18)14(16(19)21-7-2)11-10-13-9-8-12(3)17(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3",C17H26O4,,,,,,ZTVHSXBMFVUOBU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.124,288-166-2,85665-75-4,3-[4-(dimethylamino)phenoxy]propan-1-ol,3-[4-(dimethylamino)phenoxy]propan-1-ol,CN(C)c1ccc(OCCCO)cc1,CN(C)c1ccc(OCCCO)cc1,"InChI=1/C11H17NO2/c1-12(2)10-4-6-11(7-5-10)14-9-3-8-13/h4-7,13H,3,8-9H2,1-2H3",C11H17NO2,,,,,,YCHMEDYYCJZHFH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.787,302-112-8,94089-10-8,4-(diethylamino)-2-fluorobenzaldehyde 2-naphthylphenylhydrazone,"N,N-diethyl-3-fluoro-4-[2-naphthyl(phenyl)carbonohydrazonoyl]aniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3ccc4ccccc4c3)c(F)c1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3ccc4ccccc4c3)c(F)c1,"InChI=1/C27H26FN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3",C27H26FN3,,,,,,FWXRTRYVEUMROR-ZTKZIYFRSA-N,,,,,,,,,,,
100.092.793,302-119-6,94089-19-7,"[1,1'-biphenyl]-2-ol, compound with dibutylamine (1:1)",biphenyl-2-ol - N-butylbutan-1-amine (1:1),CCCCNCCCC.Oc1ccccc1c2ccccc2,CCCCNCCCC.Oc1ccccc1c2ccccc2,"InChI=1/C12H10O.C8H19N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-5-7-9-8-6-4-2/h1-9,13H;9H,3-8H2,1-2H3",C12H10O.C8H19N,,,,,,OYPHBXANXOZUEU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.795,302-121-7,94089-21-1,"(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane","4-methyl-2-pent-1-en-1-yl-1,3-dioxolane",CCC\\C=C\\C1OCC(C)O1,CCC\C=C\C1OCC(C)O1,"InChI=1/C9H16O2/c1-3-4-5-6-9-10-7-8(2)11-9/h5-6,8-9H,3-4,7H2,1-2H3",C9H16O2,,,,,,WMWBRDXHCMVBJG-AATRIKPKSA-N,,,,,,,,,,,
100.092.796,302-122-2,94089-22-2,2-methyl-3-(1-methylethoxy)pyrazine,2-isopropoxy-3-methylpyrazine,CC(C)Oc1nccnc1C,CC(C)Oc1nccnc1C,"InChI=1/C8H12N2O/c1-6(2)11-8-7(3)9-4-5-10-8/h4-6H,1-3H3",C8H12N2O,,,,,,FRCMVXLVVCXOHO-UHFFFAOYSA-N,,,,,,,,,,,
100.092.807,302-134-8,94094-33-4,Bis(2-hydroxyethyl)(stearoyl)ammonium acetate,"N,N-bis(2-hydroxyethyl)-1-oxooctadecan-1-aminium acetate",CCCCCCCCCCCCCCCCCC(=O)[NH+](CCO)CCO.CC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)[NH+](CCO)CCO.CC(=O)[O-],"InChI=1/C22H45NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h24-25H,2-21H2,1H3;1H3,(H,3,4)",C22H45NO3.C2H4O2,,,,,,KEJPLEIJNNVZRY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.385,298-370-3,93803-95-3,Methylcyclohexyl docosanoate,1-methylcyclohexyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OC1(C)CCCCC1,CCCCCCCCCCCCCCCCCCCCCC(=O)OC1(C)CCCCC1,"InChI=1/C29H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28(30)31-29(2)26-23-21-24-27-29/h3-27H2,1-2H3",C29H56O2,,,,,,IJGOBCWYJXFHKS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.386,298-371-9,93803-96-4,"Sodium 3-[(1,1-dimethylethyl)-2-hydroxyphenoxy]propanesulphonate","sodium 3-[(6-tert-butyl-6-hydroxycyclohexa-2,4-dien-1-yl)oxy]propane-1-sulfonate",[Na+].CC(C)(C)C1(O)C=CC=CC1OCCCS(=O)(=O)[O-],[Na+].CC(C)(C)C1(O)C=CC=CC1OCCCS(=O)(=O)[O-],"InChI=1/C13H22O5S.Na/c1-12(2,3)13(14)8-5-4-7-11(13)18-9-6-10-19(15,16)17;/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,15,16,17);/q;+1/p-1",C13H20O5S.Na,,,,,,OESCGKXWJAHDRS-UHFFFAOYSA-M,,,,,,,,,,,
100.089.393,298-379-2,93804-04-7,4-(octadecenylamino)-4-oxo-2-butenoic acid,4-(octadec-1-en-1-ylamino)-4-oxobut-2-enoic acid,O=C(NC=CCCCCCCCCCCCCCCCC)C=CC(O)=O,O=C(NC=CCCCCCCCCCCCCCCCC)C=CC(O)=O,"InChI=1/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26/h17-20H,2-16H2,1H3,(H,23,24)(H,25,26)",C22H39NO3,,,,,,XIYWXKBSZXPHIL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.405,298-392-3,93804-18-3,5-chloro-8-hydroxyquinolinium hydrogen sulphate,5-chloro-8-hydroxyquinolinium hydrogen sulfate,Oc1ccc(Cl)c2ccc[nH+]c12.[O-]S(=O)(=O)[O-],Oc1ccc(Cl)c2ccc[nH+]c12.[O-]S(=O)(=O)[O-],"InChI=1/C9H6ClNO.H2O4S/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;1-5(2,3)4/h1-5,12H;(H2,1,2,3,4)/p-1",C9H6ClNO.H2O4S,,,,,,MRHXDSLTWGHGHW-UHFFFAOYSA-M,,,,,,,,,,,
100.089.408,298-396-5,93804-21-8,"Trimethoxy[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane","trimethoxy[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane",CO[Si](CCCOC(F)(F)C(F)F)(OC)OC,CO[Si](CCCOC(F)(F)C(F)F)(OC)OC,"InChI=1/C8H16F4O4Si/c1-13-17(14-2,15-3)6-4-5-16-8(11,12)7(9)10/h7H,4-6H2,1-3H3",C8H16F4O4Si,,,,,,XUOZHRJNKBRTEC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.410,298-398-6,93804-23-0,N-[3-[tris(decyloxy)silyl]propyl]ethylenediamine,"N-{3-[tris(decyloxy)silyl]propyl}ethane-1,2-diamine",CCCCCCCCCCO[Si](CCCNCCN)(OCCCCCCCCCC)OCCCCCCCCCC,CCCCCCCCCCO[Si](CCCNCCN)(OCCCCCCCCCC)OCCCCCCCCCC,"InChI=1/C35H76N2O3Si/c1-4-7-10-13-16-19-22-25-32-38-41(35-28-30-37-31-29-36,39-33-26-23-20-17-14-11-8-5-2)40-34-27-24-21-18-15-12-9-6-3/h37H,4-36H2,1-3H3",C35H76N2O3Si,,,,,,RFKMZHOLZUSWKY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.413,298-401-0,93804-26-3,3-[bis(2-methoxyethoxy)methylsilyl]propyl methacrylate,3-[bis(2-methoxyethoxy)(methyl)silyl]propyl methacrylate,COCCO[Si](C)(CCCOC(=O)C(=C)C)OCCOC,COCCO[Si](C)(CCCOC(=O)C(=C)C)OCCOC,"InChI=1/C14H28O6Si/c1-13(2)14(15)18-7-6-12-21(5,19-10-8-16-3)20-11-9-17-4/h1,6-12H2,2-5H3",C14H28O6Si,,,,,,IQNCMVGYSANBSP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.415,298-403-1,93804-28-5,Dodecylmethoxydimethylsilane,dodecyl(methoxy)dimethylsilane,CCCCCCCCCCCC[Si](C)(C)OC,CCCCCCCCCCCC[Si](C)(C)OC,"InChI=1/C15H34OSi/c1-5-6-7-8-9-10-11-12-13-14-15-17(3,4)16-2/h5-15H2,1-4H3",C15H34OSi,,,,,,ZDULQMIWFCXDOX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.424,298-413-6,93804-37-6,"1,1'-bis(1-methylethyl)[3,3'-bianthra[1,9-cd]pyrazole]-6,6'(1H,1'H)-dione","1,1'-diisopropyl-3,3'-bidibenzo[cd,g]indazole-6,6'(1H,1'H)-dione",CC(C)n1nc2c(ccc3C(=O)c4ccccc4c1c23)c5ccc6C(=O)c7ccccc7c8c6c5nn8C(C)C,CC(C)n1nc2c(ccc3C(=O)c4ccccc4c1c23)c5ccc6C(=O)c7ccccc7c8c6c5nn8C(C)C,"InChI=1/C34H26N4O2/c1-17(2)37-31-21-9-5-7-11-23(21)33(39)25-15-13-19(29(35-37)27(25)31)20-14-16-26-28-30(20)36-38(18(3)4)32(28)22-10-6-8-12-24(22)34(26)40/h5-18H,1-4H3",C34H26N4O2,,,,,,QYYGOQAXQIIHNY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.128,285-972-6,85169-29-5,Trimethylsilyl (dimethoxyphosphinoyl)acetate,trimethylsilyl (dimethoxyphosphoryl)acetate,COP(=O)(CC(=O)O[Si](C)(C)C)OC,COP(=O)(CC(=O)O[Si](C)(C)C)OC,"InChI=1/C7H17O5PSi/c1-10-13(9,11-2)6-7(8)12-14(3,4)5/h6H2,1-5H3",C7H17O5PSi,,,,,,AOBJUHXMTGKIDR-UHFFFAOYSA-N,,,,,,,,,,,
100.078.131,285-975-2,85169-32-0,"Succinic acid, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)","2-amino-2-(hydroxymethyl)propane-1,3-diol succinate (2:1) (salt)",NC(CO)(CO)CO.NC(CO)(CO)CO.OC(=O)CCC(=O)O,NC(CO)(CO)CO.NC(CO)(CO)CO.OC(=O)CCC(=O)O,"InChI=1/2C4H11NO3.C4H6O4/c2*5-4(1-6,2-7)3-8;5-3(6)1-2-4(7)8/h2*6-8H,1-3,5H2;1-2H2,(H,5,6)(H,7,8)",C4H11NO3.1/2C4H6O4,,,,,,CFJZQNZZGQDONE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.640,288-736-0,85883-85-8,"Decahydro-6-methyl-1,4-methanonaphthalene-6,7-diol","6-methyldecahydro-1,4-methanonaphthalene-6,7-diol",CC1(O)CC2C3CCC(C3)C2CC1O,CC1(O)CC2C3CCC(C3)C2CC1O,"InChI=1/C12H20O2/c1-12(14)6-10-8-3-2-7(4-8)9(10)5-11(12)13/h7-11,13-14H,2-6H2,1H3",C12H20O2,,,,,,DEBPKBTUBBZEPB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.657,288-754-9,85895-80-3,6-methyl-N-(6-methyl-2-pyridyl)pyridin-2-amine,6-methyl-N-(6-methylpyridin-2-yl)pyridin-2-amine,Cc1cccc(Nc2cccc(C)n2)n1,Cc1cccc(Nc2cccc(C)n2)n1,"InChI=1/C12H13N3/c1-9-5-3-7-11(13-9)15-12-8-4-6-10(2)14-12/h3-8H,1-2H3,(H,13,14,15)",C12H13N3,,,,,,TXCRGQRREQQMIS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.669,288-768-5,85895-92-7,3-[(4-amino-2-methoxyphenyl)azo]-4-hydroxybenzenesulphonic acid,3-[(4-amino-2-methoxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid,COc2cc(N)ccc2N=Nc1cc(ccc1O)S(O)(=O)=O,COc2cc(N)ccc2N=Nc1cc(ccc1O)S(O)(=O)=O,"InChI=1/C13H13N3O5S/c1-21-13-6-8(14)2-4-10(13)15-16-11-7-9(22(18,19)20)3-5-12(11)17/h2-7,17H,14H2,1H3,(H,18,19,20)",C13H13N3O5S,,,,,,LTGCMYGQTCMNDC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.677,288-776-9,85896-00-0,"Disodium 2-hydroxynaphthalene-1,4-disulphonate","disodium 2-hydroxynaphthalene-1,4-disulfonate",[Na+].[Na+].Oc1cc(c2ccccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(c2ccccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O7S2.2Na/c11-8-5-9(18(12,13)14)6-3-1-2-4-7(6)10(8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2",C10H8O7S2.2Na,,,,,,PGTKYNUOCLUNNV-UHFFFAOYSA-L,,,,,,,,,,,
100.080.678,288-777-4,85896-01-1,"5-hydroxy-4-[[(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulphonic acid","5-hydroxy-4-{[(3-nitrophenoxy)acetyl]amino}naphthalene-1,7-disulfonic acid",Oc1cc(cc2c(ccc(NC(=O)COc3cccc(c3)[N+](=O)[O-])c12)S(=O)(=O)O)S(=O)(=O)O,Oc1cc(cc2c(ccc(NC(=O)COc3cccc(c3)[N+](=O)[O-])c12)S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C18H14N2O11S2/c21-15-8-12(32(25,26)27)7-13-16(33(28,29)30)5-4-14(18(13)15)19-17(22)9-31-11-3-1-2-10(6-11)20(23)24/h1-8,21H,9H2,(H,19,22)(H,25,26,27)(H,28,29,30)",C18H14N2O11S2,,,,,,HGGGKLCVJHVTTC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.694,288-795-2,85896-18-0,Bis[(2-hydroxyethyl)ammonium] glutarate,bis(2-hydroxyethanaminium) glutarate,[NH3+]CCO.[NH3+]CCO.[O-]C(=O)CCCC(=O)[O-],[NH3+]CCO.[NH3+]CCO.[O-]C(=O)CCCC(=O)[O-],"InChI=1/C5H8O4.2C2H7NO/c6-4(7)2-1-3-5(8)9;2*3-1-2-4/h1-3H2,(H,6,7)(H,8,9);2*4H,1-3H2",C5H8O4.2C2H7NO,,,,,,HXEQXXHIYGOZJP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.697,288-798-9,85896-21-5,"(2,3-dihydroxypropyl)(2-hydroxydodecyl)dimethylammonium toluene-p-sulphonate","N-(2,3-dihydroxypropyl)-2-hydroxy-N,N-dimethyldodecan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCC(O)C[N+](C)(C)CC(O)CO.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCC(O)C[N+](C)(C)CC(O)CO.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C17H38NO3.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-16(20)13-18(2,3)14-17(21)15-19;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-21H,4-15H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C17H38NO3.C7H7O3S,,,,,,ASKSZCVHWVEEHR-UHFFFAOYSA-M,,,,,,,,,,,
100.080.698,288-799-4,85896-23-7,"(2,3-dihydroxypropyl)(2-hydroxyoctadecyl)dimethylammonium toluene-p-sulphonate","N-(2,3-dihydroxypropyl)-2-hydroxy-N,N-dimethyloctadecan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCCCCCCCC(O)C[N+](C)(C)CC(O)CO.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCCCCCCCC(O)C[N+](C)(C)CC(O)CO.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C23H50NO3.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)19-24(2,3)20-23(27)21-25;1-6-2-4-7(5-3-6)11(8,9)10/h22-23,25-27H,4-21H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C23H50NO3.C7H7O3S,,,,,,VXADLFUEJCKPSE-UHFFFAOYSA-M,,,,,,,,,,,
100.080.699,288-800-8,85896-24-8,"6-isopropoxy-4,6-bis(oxiranylmethoxy)-1,3,5-triazine","2-isopropoxy-2,4-bis(oxiran-2-ylmethoxy)-1,2-dihydro-1,3,5-triazine",CC(C)OC1(NC=NC(=N1)OCC2CO2)OCC3CO3,CC(C)OC1(NC=NC(=N1)OCC2CO2)OCC3CO3,"InChI=1/C12H19N3O5/c1-8(2)20-12(19-6-10-4-17-10)14-7-13-11(15-12)18-5-9-3-16-9/h7-10H,3-6H2,1-2H3,(H,13,14,15)",C12H17N3O5,,,,,,WSJZHEFBLDADTG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.744,288-850-0,85909-46-2,2-hydroxymethylethyl isopropyl maleate,3-hydroxypropyl isopropyl but-2-enedioate,CC(C)OC(=O)\\C=C/C(=O)OCCCO,CC(C)OC(=O)\C=C/C(=O)OCCCO,"InChI=1/C10H16O5/c1-8(2)15-10(13)5-4-9(12)14-7-3-6-11/h4-5,8,11H,3,6-7H2,1-2H3",C10H16O5,,,,,,FVITXPQZIMMIHG-PLNGDYQASA-N,,,,,,,,,,,
100.080.745,288-851-6,85909-47-3,Butyl 2-hydroxymethylethyl maleate,butyl 3-hydroxypropyl but-2-enedioate,CCCCOC(=O)\\C=C/C(=O)OCCCO,CCCCOC(=O)\C=C/C(=O)OCCCO,"InChI=1/C11H18O5/c1-2-3-8-15-10(13)5-6-11(14)16-9-4-7-12/h5-6,12H,2-4,7-9H2,1H3",C11H18O5,,,,,,GONDRPXUQQSJOK-WAYWQWQTSA-N,,,,,,,,,,,
100.080.746,288-852-1,85909-48-4,2-hydroxymethylethyl 1-methylpropyl maleate,sec-butyl 3-hydroxypropyl but-2-enedioate,CCC(C)OC(=O)\\C=C/C(=O)OCCCO,CCC(C)OC(=O)\C=C/C(=O)OCCCO,"InChI=1/C11H18O5/c1-3-9(2)16-11(14)6-5-10(13)15-8-4-7-12/h5-6,9,12H,3-4,7-8H2,1-2H3",C11H18O5,,,,,,OFICLNLYVZRNFC-WAYWQWQTSA-N,,,,,,,,,,,
100.078.246,286-101-2,85187-14-0,"1-phenyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-one","1-phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one",CC2(C)C(/C)=C\\CC2CC=CC(=O)c1ccccc1,CC2(C)C(/C)=C\CC2CC=CC(=O)c1ccccc1,"InChI=1/C18H22O/c1-14-12-13-16(18(14,2)3)10-7-11-17(19)15-8-5-4-6-9-15/h4-9,11-12,16H,10,13H2,1-3H3",C18H22O,,,,,,RYRMZVXRCMBVTD-UHFFFAOYSA-N,,,,,,,,,,,
100.078.402,286-272-3,85203-81-2,"Hexanoic acid, 2-ethyl-, zinc salt, basic",-,[Zn+2].CCCCC(CC)C(=O)[O-],[Zn+2].CCCCC(CC)C(=O)[O-],"InChI=1/C8H16O2.Zn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-1",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14676,https://echa.europa.eu/substance-information/-/substanceinfo/100.078.402,XOPBIEXURSPHPD-UHFFFAOYSA-M,,,,,,,,,,,
100.080.505,288-587-1,85763-67-3,"Calcium, naphthenate neodecanoate complexes",calcium bis[3-(3-ethylcyclopentyl)propanoate],[Ca+2].CCC1CCC(CCC(=O)[O-])C1.CCC2CCC(CCC(=O)[O-])C2,[Ca+2].CCC1CCC(CCC(=O)[O-])C1.CCC2CCC(CCC(=O)[O-])C2,"InChI=1/2C10H18O2.Ca/c2*1-2-8-3-4-9(7-8)5-6-10(11)12;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2",-,,,,,,VJRQUORHMUNZJY-UHFFFAOYSA-L,,,,,,,,,,,
100.080.532,288-616-8,85851-56-5,"Trisodium 5-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulphonato-1-naphthyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]-5-[(4-sulfonato-1-naphthyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6c(cc(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c6N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc7ccc(cc7)[N+]([O-])=O,[Na+].[Na+].[Na+].Oc6c(cc(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c6N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)N=Nc7ccc(cc7)[N+]([O-])=O,"InChI=1/C38H24N10O16S3.3Na/c49-36-29(43-39-20-5-9-22(10-6-20)47(52)53)18-30(44-41-27-13-14-31(66(59,60)61)26-4-2-1-3-25(26)27)37(50)35(36)46-42-28-17-24(65(56,57)58)15-19-16-32(67(62,63)64)34(38(51)33(19)28)45-40-21-7-11-23(12-8-21)48(54)55;;;/h1-18,49-51H,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3",C38H24N10O16S3.3Na,,,,,,OLWYNQQCANTKHN-UHFFFAOYSA-K,,,,,,,,,,,
100.078.432,286-306-7,85204-12-2,N-[3-[(ethylphenylamino)sulphonyl]-4-methylphenyl]acetamide,N-{3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}acetamide,CCN(c1ccccc1)S(=O)(=O)c2cc(NC(=O)C)ccc2C,CCN(c1ccccc1)S(=O)(=O)c2cc(NC(=O)C)ccc2C,"InChI=1/C17H20N2O3S/c1-4-19(16-8-6-5-7-9-16)23(21,22)17-12-15(18-14(3)20)11-10-13(17)2/h5-12H,4H2,1-3H3,(H,18,20)",C17H20N2O3S,,,,,,GICLFFSOFUPDAL-UHFFFAOYSA-N,,,,,,,,,,,
100.078.434,286-308-8,85204-14-4,Sodium 3-amino-4-hydroxy-5-nitrobenzenesulphonate,sodium 3-amino-4-hydroxy-5-nitrobenzenesulfonate,[Na+].Nc1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)[O-],[Na+].Nc1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C6H6N2O6S.Na/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11;/h1-2,9H,7H2,(H,12,13,14);/q;+1/p-1",C6H6N2O6S.Na,,,,,,XJOCCOPXXGMSCA-UHFFFAOYSA-M,,,,,,,,,,,
100.080.534,288-618-9,85851-58-7,"N-[4-(benzoylamino)phenyl]-3-hydroxy-4-[[2-methyl-5-[[(2,4,5-trichlorophenyl)amino]carbonyl]phenyl]azo]naphthalene-2-carboxamide","N-[4-(benzoylamino)phenyl]-3-hydroxy-4-({2-methyl-5-[(2,4,5-trichlorophenyl)carbamoyl]phenyl}diazenyl)-2-naphthamide",Clc6cc(NC(=O)c5ccc(C)c(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(NC(=O)c1ccccc1)cc2)c3O)c5)c(Cl)cc6Cl,Clc6cc(NC(=O)c5ccc(C)c(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(NC(=O)c1ccccc1)cc2)c3O)c5)c(Cl)cc6Cl,"InChI=1/C38H26Cl3N5O4/c1-21-11-12-24(37(49)44-33-20-30(40)29(39)19-31(33)41)18-32(21)45-46-34-27-10-6-5-9-23(27)17-28(35(34)47)38(50)43-26-15-13-25(14-16-26)42-36(48)22-7-3-2-4-8-22/h2-20,47H,1H3,(H,42,48)(H,43,50)(H,44,49)",C38H26Cl3N5O4,,,,,,QUSGMFJVBZTEIU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.569,288-657-1,85857-16-5,"Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane","trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC,CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC,"InChI=1/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3",C11H13F13O3Si,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/18015,https://echa.europa.eu/substance-information/-/substanceinfo/100.080.569,BVQYIDJXNYHKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.078.455,286-331-3,85204-35-9,"N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]pentadecanamide","N-(4-chloro-3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}phenyl)pentadecanamide",CCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,CCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)c1,"InChI=1/C30H38Cl4N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-28(39)35-22-15-16-23(32)26(19-22)36-27-20-29(40)38(37-27)30-24(33)17-21(31)18-25(30)34/h15-19H,2-14,20H2,1H3,(H,35,39)(H,36,37)",C30H38Cl4N4O2,,,,,,CPQPQSFYKIXLBL-UHFFFAOYSA-N,,,,,,,,,,,
100.080.526,288-610-5,85828-82-6,"Ethyl 3,5-diiodo-4-(4-methoxyphenoxy)phenylacetate","ethyl [3,5-diiodo-4-(4-methoxyphenoxy)phenyl]acetate",CCOC(=O)Cc1cc(I)c(Oc2ccc(OC)cc2)c(I)c1,CCOC(=O)Cc1cc(I)c(Oc2ccc(OC)cc2)c(I)c1,"InChI=1/C17H16I2O4/c1-3-22-16(20)10-11-8-14(18)17(15(19)9-11)23-13-6-4-12(21-2)5-7-13/h4-9H,3,10H2,1-2H3",C17H16I2O4,,,,,,BCLWYRUGYYCELP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.433,286-307-2,85204-13-3,Sodium 2-amino-6-nitrobenzenesulphonate,sodium 2-amino-6-nitrobenzenesulfonate,[Na+].Nc1cccc(c1S(=O)(=O)[O-])[N+](=O)[O-],[Na+].Nc1cccc(c1S(=O)(=O)[O-])[N+](=O)[O-],"InChI=1/C6H6N2O5S.Na/c7-4-2-1-3-5(8(9)10)6(4)14(11,12)13;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1",C6H6N2O5S.Na,,,,,,NGGRZLZMKOISMO-UHFFFAOYSA-M,,,,,,,,,,,
100.078.435,286-309-3,85204-15-5,"4-amino-3-[(4-aminophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid","4-amino-3-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",Nc1ccc(cc1)N=Nc2c(N)c3c(cc2S(O)(=O)=O)cc(cc3O)S(O)(=O)=O,Nc1ccc(cc1)N=Nc2c(N)c3c(cc2S(O)(=O)=O)cc(cc3O)S(O)(=O)=O,"InChI=1/C16H14N4O7S2/c17-9-1-3-10(4-2-9)19-20-16-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(21)14(8)15(16)18/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27)",C16H14N4O7S2,,,,,,BSFBAYPKFNQEEM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.439,286-314-0,85204-19-9,"a,3,3-trimethyl-a-vinylbicyclo[2.2.1]heptane-2-methanol","2-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)but-3-en-2-ol",CC(O)(C=C)C1C2CCC(C2)C1(C)C,CC(O)(C=C)C1C2CCC(C2)C1(C)C,"InChI=1/C13H22O/c1-5-13(4,14)11-9-6-7-10(8-9)12(11,2)3/h5,9-11,14H,1,6-8H2,2-4H3",C13H22O,,,,,,AVXCORVLTFVQGV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.443,286-318-2,85204-23-5,"1,1'-(iminodiethylene)dipyrrolidin-2-one","1,1'-(iminodiethane-2,1-diyl)dipyrrolidin-2-one",O=C1CCCN1CCNCCN2CCCC2=O,O=C1CCCN1CCNCCN2CCCC2=O,"InChI=1/C12H21N3O2/c16-11-3-1-7-14(11)9-5-13-6-10-15-8-2-4-12(15)17/h13H,1-10H2",C12H21N3O2,,,,,,GDAOLYAEFUYWDM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.535,288-619-4,85851-59-8,"2-[(4-amino-2,5-dimethoxyphenyl)azo]-3-oxo-N-phenylbutyramide","2-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-3-oxo-N-phenylbutanamide",COc2cc(N)c(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)OC,COc2cc(N)c(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)OC,"InChI=1/C18H20N4O4/c1-11(23)17(18(24)20-12-7-5-4-6-8-12)22-21-14-10-15(25-2)13(19)9-16(14)26-3/h4-10,17H,19H2,1-3H3,(H,20,24)",C18H20N4O4,,,,,,VXBVFMRXFGMBHL-UHFFFAOYSA-N,,,,,,,,,,,
100.080.538,288-623-6,85851-62-3,1-acetylhexahydro-1H-azepinium methyl sulphate,1-acetylazepanium methyl sulfate,COS(=O)(=O)[O-].CC(=O)[NH+]1CCCCCC1,COS(=O)(=O)[O-].CC(=O)[NH+]1CCCCCC1,"InChI=1/C8H15NO.CH4O4S/c1-8(10)9-6-4-2-3-5-7-9;1-5-6(2,3)4/h2-7H2,1H3;1H3,(H,2,3,4)",C8H15NO.CH4O4S,,,,,,JLKCDRWIHBETHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.551,288-637-2,85851-78-1,4-methyloctyl 6-methyloctyl phthalate,4-methyloctyl 6-methyloctyl phthalate,CCCCC(C)CCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)CC,CCCCC(C)CCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)CC,"InChI=1/C26H42O4/c1-5-7-14-22(4)16-13-20-30-26(28)24-18-11-10-17-23(24)25(27)29-19-12-8-9-15-21(3)6-2/h10-11,17-18,21-22H,5-9,12-16,19-20H2,1-4H3",C26H42O4,,,,,,CHTDCFVLYHXJAA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.553,288-639-3,85851-80-5,3-ethylheptyl 6-methyloctyl phthalate,3-ethylheptyl 6-methyloctyl phthalate,CCCCC(CC)CCOC(=O)c1ccccc1C(=O)OCCCCCC(C)CC,CCCCC(CC)CCOC(=O)c1ccccc1C(=O)OCCCCCC(C)CC,"InChI=1/C26H42O4/c1-5-8-15-22(7-3)18-20-30-26(28)24-17-12-11-16-23(24)25(27)29-19-13-9-10-14-21(4)6-2/h11-12,16-17,21-22H,5-10,13-15,18-20H2,1-4H3",C26H42O4,,,,,,NYYCJHCPPINKEF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.554,288-640-9,85851-81-6,Bis(2-ethyloctyl) phthalate,bis(2-ethyloctyl) phthalate,CCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCC,CCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCC,"InChI=1/C28H46O4/c1-5-9-11-13-17-23(7-3)21-31-27(29)25-19-15-16-20-26(25)28(30)32-22-24(8-4)18-14-12-10-6-2/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3",C28H46O4,,,,,,ORKHXMGDPOGDKE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.555,288-641-4,85851-82-7,Bis(2-ethylnonyl) phthalate,bis(2-ethylnonyl) phthalate,CCCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCCC,CCCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCCC,"InChI=1/C30H50O4/c1-5-9-11-13-15-19-25(7-3)23-33-29(31)27-21-17-18-22-28(27)30(32)34-24-26(8-4)20-16-14-12-10-6-2/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3",C30H50O4,,,,,,LVFZGCKUCOADQM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.557,288-644-0,85851-84-9,Bis(2-propylhexyl) phthalate,bis(2-propylhexyl) phthalate,CCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCC,CCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCC,"InChI=1/C26H42O4/c1-5-9-15-21(13-7-3)19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-22(14-8-4)16-10-6-2/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3",C26H42O4,,,,,,NQHKLPYJSBLNDH-UHFFFAOYSA-N,,,,,,,,,,,
100.080.558,288-645-6,85851-85-0,Bis(2-propyloctyl) phthalate,bis(2-propyloctyl) phthalate,CCCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCCC,CCCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCCC,"InChI=1/C30H50O4/c1-5-9-11-13-19-25(17-7-3)23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-26(18-8-4)20-14-12-10-6-2/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3",C30H50O4,,,,,,OZOBAHCROJBFKA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.877,287-894-8,85587-35-5,"Diammonium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis(benzenesulphonate)","diammonium 4,4'-{1,3-phenylenebis[diazene-2,1-diyl(4,6-diamino-3,1-phenylene)diazene-2,1-diyl]}dibenzenesulfonate",[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5cc(N=Nc4cccc(N=Nc3cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)cc3N)c4)c(N)cc5N,[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5cc(N=Nc4cccc(N=Nc3cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)cc3N)c4)c(N)cc5N,"InChI=1/C30H26N12O6S2.2H3N/c31-23-13-25(33)29(15-27(23)39-35-17-4-8-21(9-5-17)49(43,44)45)41-37-19-2-1-3-20(12-19)38-42-30-16-28(24(32)14-26(30)34)40-36-18-6-10-22(11-7-18)50(46,47)48;;/h1-16H,31-34H2,(H,43,44,45)(H,46,47,48);2*1H3",C30H26N12O6S2.2H3N,,,,,,YNFWHCCJLKKICU-UHFFFAOYSA-N,,,,,,,,,,,
100.079.897,287-917-1,85614-32-0,Potassium tris(1-methylethyl)naphthalenesulphonate,"potassium 2,3,4-triisopropylnaphthalene-1-sulfonate",[K+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-],[K+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-],"InChI=1/C19H26O3S.K/c1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h7-13H,1-6H3,(H,20,21,22);/q;+1/p-1",C19H26O3S.K,,,,,,GUULSDHFRHHZJD-UHFFFAOYSA-M,,,,,,,,,,,
100.079.908,287-929-7,85614-43-3,Methyl 5-allyl-3-methoxysalicylate,methyl 5-allyl-2-hydroxy-3-methoxybenzoate,COC(=O)c1cc(CC=C)cc(OC)c1O,COC(=O)c1cc(CC=C)cc(OC)c1O,"InChI=1/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3",C12H14O4,,,,,,LYSUGZLJKRSLHM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.909,287-930-2,85614-44-4,Pyrrolidine-1-butyric acid,4-pyrrolidin-1-ylbutanoic acid,OC(=O)CCCN1CCCC1,OC(=O)CCCN1CCCC1,"InChI=1/C8H15NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-7H2,(H,10,11)",C8H15NO2,,,,,,NYSUFKYXLDNHQN-UHFFFAOYSA-N,,,,,,,,,,,
100.079.910,287-931-8,85614-45-5,"4-chloro-2',4',6'-trihydroxybutyrophenone","4-chloro-1-(2,4,6-trihydroxyphenyl)butan-1-one",Oc1cc(O)c(C(=O)CCCCl)c(O)c1,Oc1cc(O)c(C(=O)CCCCl)c(O)c1,"InChI=1/C10H11ClO4/c11-3-1-2-7(13)10-8(14)4-6(12)5-9(10)15/h4-5,12,14-15H,1-3H2",C10H11ClO4,,,,,,PNKGFYFCYXMKCN-UHFFFAOYSA-N,,,,,,,,,,,
100.079.914,287-936-5,85614-49-9,2-butyl-2H-benzofuran-3-one,2-butyl-1-benzofuran-3(2H)-one,CCCCC1Oc2ccccc2C1=O,CCCCC1Oc2ccccc2C1=O,"InChI=1/C12H14O2/c1-2-3-7-11-12(13)9-6-4-5-8-10(9)14-11/h4-6,8,11H,2-3,7H2,1H3",C12H14O2,,,,,,UTHLRNLZDFHZFF-UHFFFAOYSA-N,,,,,,,,,,,
100.085.259,293-821-0,91197-50-1,"2'-formyl[1,1'-biphenyl]-4-acetic acid",(2'-formylbiphenyl-4-yl)acetic acid,OC(=O)Cc1ccc(cc1)c2ccccc2C=O,OC(=O)Cc1ccc(cc1)c2ccccc2C=O,"InChI=1/C15H12O3/c16-10-13-3-1-2-4-14(13)12-7-5-11(6-8-12)9-15(17)18/h1-8,10H,9H2,(H,17,18)",C15H12O3,,,,,,ASRJPOINUBQHCE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.442,288-516-4,85737-06-0,"(2-bromo-1,1,2,2-tetrafluoroethoxy)trifluoroethylene","1-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoroethene",FC(=C(F)OC(F)(F)C(F)(F)Br)F,FC(=C(F)OC(F)(F)C(F)(F)Br)F,"InChI=1/C4BrF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7",C4BrF7O,,,,,,ZPYGRBTUNITHKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.058,289-195-3,86130-60-1,"(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen fumarate","4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)oxy]-4-oxobut-2-enoic acid",OC(=O)\\C=C\\C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(=O)\C=C\C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C14H7F17O4/c15-7(16,3-4-35-6(34)2-1-5(32)33)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-2H,3-4H2,(H,32,33)",C14H7F17O4,,,,,,ULSWUGAAPQZIFJ-OWOJBTEDSA-N,,,,,,,,,,,
100.081.059,289-196-9,86154-34-9,"1,3,5-tris[3-[bis[3-(dimethylamino)propyl]amino]-1-oxopropyl]hexahydro-1,3,5-triazine",-,CN(C)CCCN(CCCN(C)C)CCC(=O)N1CN(CN(C1)C(=O)CCN(CCCN(C)C)CCCN(C)C)C(=O)CCN(CCCN(C)C)CCCN(C)C,CN(C)CCCN(CCCN(C)C)CCC(=O)N1CN(CN(C1)C(=O)CCN(CCCN(C)C)CCCN(C)C)C(=O)CCN(CCCN(C)C)CCCN(C)C,"InChI=1/C42H90N12O3/c1-43(2)22-13-28-49(29-14-23-44(3)4)34-19-40(55)52-37-53(41(56)20-35-50(30-15-24-45(5)6)31-16-25-46(7)8)39-54(38-52)42(57)21-36-51(32-17-26-47(9)10)33-18-27-48(11)12/h13-39H2,1-12H3",C42H90N12O3,,,,,,VWRMZRWDJPPJTE-UHFFFAOYSA-N,,,,,,,,,,,
100.081.061,289-199-5,86177-97-1,2-(dimethylamino)ethyl 3-methoxyisobutyrate,2-(dimethylamino)ethyl 3-methoxy-2-methylpropanoate,COCC(C)C(=O)OCCN(C)C,COCC(C)C(=O)OCCN(C)C,"InChI=1/C9H19NO3/c1-8(7-12-4)9(11)13-6-5-10(2)3/h8H,5-7H2,1-4H3",C9H19NO3,,,,,,WWVAJZVBKDVYLH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.063,289-201-4,86178-63-4,Bis[2-(dimethylamino)ethyl] maleate,bis[2-(dimethylamino)ethyl] but-2-enedioate,CN(C)CCOC(=O)\\C=C/C(=O)OCCN(C)C,CN(C)CCOC(=O)\C=C/C(=O)OCCN(C)C,"InChI=1/C12H22N2O4/c1-13(2)7-9-17-11(15)5-6-12(16)18-10-8-14(3)4/h5-6H,7-10H2,1-4H3",C12H22N2O4,,,,,,HAHZVQOXFHJPOX-WAYWQWQTSA-N,,,,,,,,,,,
100.081.067,289-206-1,86218-70-4,2-(dimethylamino)ethyl 3-[2-(dimethylamino)ethoxy]isobutyrate,2-(dimethylamino)ethyl 3-[2-(dimethylamino)ethoxy]-2-methylpropanoate,CC(COCCN(C)C)C(=O)OCCN(C)C,CC(COCCN(C)C)C(=O)OCCN(C)C,"InChI=1/C12H26N2O3/c1-11(10-16-8-6-13(2)3)12(15)17-9-7-14(4)5/h11H,6-10H2,1-5H3",C12H26N2O3,,,,,,FACKEXLZTVELDI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.074,289-214-5,86261-90-7,2-(2-oxoimidazolidin-1-yl)ethyl methacrylate,2-(2-oxoimidazolidin-1-yl)ethyl methacrylate,CC(=C)C(=O)OCCN1CCNC1=O,CC(=C)C(=O)OCCN1CCNC1=O,"InChI=1/C9H14N2O3/c1-7(2)8(12)14-6-5-11-4-3-10-9(11)13/h1,3-6H2,2H3,(H,10,13)",C9H14N2O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13683,https://echa.europa.eu/substance-information/-/substanceinfo/100.081.074,PFPUZMSQZJFLBK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.830,299-959-8,93918-78-6,Diammonium europium pentanitrate,diammonium europium pentanitrate,[NH4+].[NH4+].[Eu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[NH4+].[NH4+].[Eu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Eu.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+2;5*-1;;/p+2,Eu.2H3N.5HNO3,,,,,,RNLZDNNWJPXWFV-UHFFFAOYSA-P,,,,,,,,,,,
100.090.836,299-966-6,93918-85-5,3-(dodecylthio)butyronitrile,3-(dodecylsulfanyl)butanenitrile,CCCCCCCCCCCCSC(C)CC#N,CCCCCCCCCCCCSC(C)CC#N,"InChI=1/C16H31NS/c1-3-4-5-6-7-8-9-10-11-12-15-18-16(2)13-14-17/h16H,3-13,15H2,1-2H3",C16H31NS,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10286,https://echa.europa.eu/substance-information/-/substanceinfo/100.090.836,LWJYQMDILSTVNM-UHFFFAOYSA-N,,,,,,,,,,,
100.090.838,299-968-7,93918-87-7,Butoxydiethoxymethylsilane,[butoxy(diethoxy)methyl]silane,CCCCOC([SiH3])(OCC)OCC,CCCCOC([SiH3])(OCC)OCC,"InChI=1/C9H22O3Si/c1-4-7-8-12-9(13,10-5-2)11-6-3/h4-8H2,1-3,13H3",C9H22O3Si,,,,,,UWTBDDDODWCQPN-UHFFFAOYSA-N,,,,,,,,,,,
100.090.839,299-969-2,93918-88-8,Dibutoxyethoxymethylsilane,[dibutoxy(ethoxy)methyl]silane,CCCCOC([SiH3])(OCC)OCCCC,CCCCOC([SiH3])(OCC)OCCCC,"InChI=1/C11H26O3Si/c1-4-7-9-13-11(15,12-6-3)14-10-8-5-2/h4-10H2,1-3,15H3",C11H26O3Si,,,,,,IFTBOJIYXMJYQI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.841,299-971-3,93918-90-2,Butyl ethyl titanate,-,CCCCO[Ti]([O-])([O-])OCC,CCCCO[Ti]([O-])([O-])OCC,"InChI=1/C4H9O.C2H5O.2O.Ti/c1-2-3-4-5;1-2-3;;;/h2-4H2,1H3;2H2,1H3;;;/q4*-1;+2/rC6H14O4Ti/c1-3-5-6-10-11(7,8)9-4-2/h3-6H2,1-2H3/q-2",C12H28O4Ti,,,,,,YDINAJIFYFHADV-UHFFFAOYSA-N,,,,,,,,,,,
100.090.845,299-976-0,93918-94-6,2-ethylhexyl 3-(dodecylthio)propionate,2-ethylhexyl 3-(dodecylsulfanyl)propanoate,CCCCCCCCCCCCSCCC(=O)OCC(CC)CCCC,CCCCCCCCCCCCSCCC(=O)OCC(CC)CCCC,"InChI=1/C23H46O2S/c1-4-7-9-10-11-12-13-14-15-16-19-26-20-18-23(24)25-21-22(6-3)17-8-5-2/h22H,4-21H2,1-3H3",C23H46O2S,,,,,,IHZZQTXEGJYUKL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.862,299-994-9,93919-11-0,"6-hydroxy-2,7-dimethyloctan-4-one","6-hydroxy-2,7-dimethyloctan-4-one",CC(C)CC(=O)CC(O)C(C)C,CC(C)CC(=O)CC(O)C(C)C,"InChI=1/C10H20O2/c1-7(2)5-9(11)6-10(12)8(3)4/h7-8,10,12H,5-6H2,1-4H3",C10H20O2,,,,,,DLUOUVXXRXNEQK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.864,299-997-5,93919-13-2,"(E)-2-(3-hexenyloxy)-1,3-dioxolane","2-(hex-3-en-1-yloxy)-1,3-dioxolane",CC\\C=C\\CCOC1OCCO1,CC\C=C\CCOC1OCCO1,"InChI=1/C9H16O3/c1-2-3-4-5-6-10-9-11-7-8-12-9/h3-4,9H,2,5-8H2,1H3",C9H16O3,,,,,,OEGZLVQKMGBRDZ-ONEGZZNKSA-N,,,,,,,,,,,
100.090.868,300-001-9,93919-17-6,"2-[[4-chloro-6-[[8-hydroxy-3,6-disulpho-7-[(1-sulpho-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid","2-{[4-chloro-6-({8-hydroxy-3,6-disulfo-7-[(1-sulfo-2-naphthyl)diazenyl]-1-naphthyl}amino)-1,3,5-triazin-2-yl]amino}-5-sulfobenzoic acid",Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Nc5ccc(cc5C(O)=O)S(O)(=O)=O)n6,Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Nc5ccc(cc5C(O)=O)S(O)(=O)=O)n6,"InChI=1/C30H20ClN7O15S4/c31-28-34-29(32-19-8-6-15(54(42,43)44)11-18(19)27(40)41)36-30(35-28)33-21-12-16(55(45,46)47)9-14-10-22(56(48,49)50)24(25(39)23(14)21)38-37-20-7-5-13-3-1-2-4-17(13)26(20)57(51,52)53/h1-12,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,32,33,34,35,36)",C30H20ClN7O15S4,,,,,,YFCSSQMJLMOMKW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.869,300-002-4,93919-18-7,"4-amino-6-[(1,2-dihydro-2-imino-1,6-dimethyl-4-pyrimidinyl)amino]-1,2-dimethylquinolinium hydroxide","4-amino-6-[(2-imino-1,6-dimethyl-1,2-dihydropyrimidin-4-yl)amino]-1,2-dimethylquinolinium hydroxide",[OH-].CN1C(=CC(=NC1=N)Nc2ccc3c(c2)c(N)cc(C)[n+]3C)C,[OH-].CN1C(=CC(=NC1=N)Nc2ccc3c(c2)c(N)cc(C)[n+]3C)C,"InChI=1/C17H20N6.H2O/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16;/h5-9,18H,1-4H3,(H2,19,20,21);1H2",C17H21N6.HO,,,,,,MQKRJIRENZXLLW-UHFFFAOYSA-N,,,,,,,,,,,
100.091.322,300-500-1,93941-01-6,1-(1-oxobutyl)-1H-indole,1-butyryl-1H-indole,CCCC(=O)n1ccc2ccccc12,CCCC(=O)n1ccc2ccccc12,"InChI=1/C12H13NO/c1-2-5-12(14)13-9-8-10-6-3-4-7-11(10)13/h3-4,6-9H,2,5H2,1H3",C12H13NO,,,,,,AJZZYHUKCOKFPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.323,300-501-7,93941-02-7,Isopropyl 1H-indole-3-propionate,isopropyl 3-(1H-indol-3-yl)propanoate,CC(C)OC(=O)CCc1c[nH]c2ccccc12,CC(C)OC(=O)CCc1c[nH]c2ccccc12,"InChI=1/C14H17NO2/c1-10(2)17-14(16)8-7-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3",C14H17NO2,,,,,,ALEBZUNFHDQURI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.329,300-508-5,93941-09-4,3-methyl-2-[[p-(N-methylanilino)phenyl]azo]thiazolium hydroxide,"3-methyl-2-({4-[methyl(phenyl)amino]phenyl}diazenyl)-1,3-thiazol-3-ium hydroxide",[OH-].CN(c1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C,[OH-].CN(c1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C,"InChI=1/C17H17N4S.H2O/c1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15;/h3-13H,1-2H3;1H2/q+1;/p-1",C17H17N4S.HO,,,,,,CGJMVBGVBISQCG-UHFFFAOYSA-M,,,,,,,,,,,
100.091.332,300-511-1,93941-62-9,3-[(6-aminotrimethylhexyl)amino]propiononitrile,"3-[(6-amino-1,1,2-trimethylhexyl)amino]propanenitrile",CC(CCCCN)C(C)(C)NCCC#N,CC(CCCCN)C(C)(C)NCCC#N,"InChI=1/C12H25N3/c1-11(7-4-5-8-13)12(2,3)15-10-6-9-14/h11,15H,4-8,10,13H2,1-3H3",C12H25N3,,,,,,MBZWKHVKQKPTFN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.463,286-340-2,85204-51-9,"Sodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].OCCNc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(NCCO)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[Na+].[Na+].OCCNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCCO)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C36H36N12O8S2.2Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2",C36H36N12O8S2.xNa,,,,,,HIMNALZNLAOESZ-YHPRVSEPSA-L,,,,,,,,,,,
100.078.468,286-346-5,85213-60-1,"4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulphonic acid","4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid",O=C3/C(=C(/C)\\C(\\N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)c(cc2S(O)(=O)=O)S(O)(=O)=O)=C(\\O)N3CC)C(N)=O,O=C3/C(=C(/C)\C(\N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)c(cc2S(O)(=O)=O)S(O)(=O)=O)=C(\O)N3CC)C(N)=O,"InChI=1/C18H16Cl2N8O9S2/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37/h4-5,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25)",C18H16Cl2N8O9S2,,,,,,MDKOFBSUTXSGLO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.476,286-354-9,85223-02-5,"5-chloro-2-methylbenzenediazonium naphthalene-1,5-disulphonate (1:1)",-,Cc1ccc(Cl)cc1[N+]#N.[O-]S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)[O-],Cc1ccc(Cl)cc1[N+]#N.[O-]S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-2-3-6(8)4-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-2",C10H7O6S2.C7H6ClN2,,,,,,SGEIBXBCRKDSPV-UHFFFAOYSA-L,,,,,,,,,,,
100.078.478,286-357-5,85223-04-7,N-[4-[[2-hydroxy-4-(2-oxo-1-pyrrolidinyl)phenyl]azo]phenyl]acetamide,N-(4-{[2-hydroxy-4-(2-oxopyrrolidin-1-yl)phenyl]diazenyl}phenyl)acetamide,CC(=O)Nc1ccc(cc1)N=Nc2ccc(cc2O)N3CCCC3=O,CC(=O)Nc1ccc(cc1)N=Nc2ccc(cc2O)N3CCCC3=O,"InChI=1/C18H18N4O3/c1-12(23)19-13-4-6-14(7-5-13)20-21-16-9-8-15(11-17(16)24)22-10-2-3-18(22)25/h4-9,11,24H,2-3,10H2,1H3,(H,19,23)",C18H18N4O3,,,,,,NAMNMCZAYCXRSK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.599,288-690-1,85865-90-3,Calcium bis(tetracosylbenzenesulphonate),calcium bis(2-tetracosylbenzenesulfonate),[Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C30H54O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+2/p-2",C30H54O3S.1/2Ca,,,,,,ZIYNVRBTHVVBLV-UHFFFAOYSA-L,,,,,,,,,,,
100.080.600,288-691-7,85865-91-4,Lead bis(tetracosylbenzenesulphonate),-,[Pb+4].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Pb+4].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C30H54O3S.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+4/p-2",C30H54O3S.1/2Pb,,,,,,JVKOUKZHFVRZDT-UHFFFAOYSA-L,,,,,,,,,,,
100.080.602,288-693-8,85865-93-6,Magnesium bis(tetracosylbenzenesulphonate),magnesium bis(2-tetracosylbenzenesulfonate),[Mg+2].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-],"InChI=1/2C30H54O3S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+2/p-2",C30H54O3S.1/2Mg,,,,,,DVLCZMKTVXJJDP-UHFFFAOYSA-L,,,,,,,,,,,
100.080.607,288-699-0,85865-98-1,"2,17-bis(hydroxymethyl)-5,14-dioxo-2,17-bis[[(1-oxoallyl)oxy]methyl]-4,15-dioxa-6,13-diazaoctadecane-1,18-diyl diacrylate","2,17-bis[(acryloyloxy)methyl]-2,17-bis(hydroxymethyl)-5,14,20-trioxo-4,15,19-trioxa-6,13-diazadocos-21-en-1-yl acrylate (non-preferred name)",OCC(COC(=O)NCCCCCCNC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,OCC(COC(=O)NCCCCCCNC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C30H44N2O14/c1-5-23(35)41-17-29(15-33,18-42-24(36)6-2)21-45-27(39)31-13-11-9-10-12-14-32-28(40)46-22-30(16-34,19-43-25(37)7-3)20-44-26(38)8-4/h5-8,33-34H,1-4,9-22H2,(H,31,39)(H,32,40)",C30H44N2O14,,,,,,NMUQCOLGJNFPOE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.611,288-704-6,85866-02-0,"Oct-7-ene-1,2-diol","oct-7-ene-1,2-diol",OCC(O)CCCCC=C,OCC(O)CCCCC=C,"InChI=1/C8H16O2/c1-2-3-4-5-6-8(10)7-9/h2,8-10H,1,3-7H2",C8H16O2,,,,,,UXGHWJFURBQKCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.612,288-705-1,85866-03-1,"Cyclooctane-1,2,3-triol","cyclooctane-1,2,3-triol",OC1CCCCCC(O)C1O,OC1CCCCCC(O)C1O,"InChI=1/C8H16O3/c9-6-4-2-1-3-5-7(10)8(6)11/h6-11H,1-5H2",C8H16O3,,,,,,JABDUNXUMGVHJU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.488,286-368-5,85223-14-9,"1-[[4-[[6'-(diethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]piperidine","6'-(diethylamino)-2'-{[4-(piperidin-1-ylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)S(=O)(=O)N5CCCCC5)cc3C26OC(=O)c7ccccc67)c1,CCN(CC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)S(=O)(=O)N5CCCCC5)cc3C26OC(=O)c7ccccc67)c1,"InChI=1/C35H35N3O5S/c1-3-37(4-2)26-15-18-30-33(23-26)42-32-19-14-25(22-31(32)35(30)29-11-7-6-10-28(29)34(39)43-35)36-24-12-16-27(17-13-24)44(40,41)38-20-8-5-9-21-38/h6-7,10-19,22-23,36H,3-5,8-9,20-21H2,1-2H3",C35H35N3O5S,,,,,,KRWDNSILLUMLQR-UHFFFAOYSA-N,,,,,,,,,,,
100.080.613,288-706-7,85866-04-2,"Octahydro-4,7-methano-1H-indene-1,2,6-triol","octahydro-1H-4,7-methanoindene-1,2,6-triol",OC1CC2C3CC(O)C(C3)C2C1O,OC1CC2C3CC(O)C(C3)C2C1O,"InChI=1/C10H16O3/c11-7-2-4-1-6(7)9-5(4)3-8(12)10(9)13/h4-13H,1-3H2",C10H16O3,,,,,,AKMSEFVQQNUOFA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.559,288-646-1,85851-86-1,2-ethylhexyl nonyl phthalate,2-ethylhexyl nonyl phthalate,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,"InChI=1/C25H40O4/c1-4-7-9-10-11-12-15-19-28-24(26)22-17-13-14-18-23(22)25(27)29-20-21(6-3)16-8-5-2/h13-14,17-18,21H,4-12,15-16,19-20H2,1-3H3",C25H40O4,,,,,,PJOCCDABUHGCOF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.560,288-647-7,85851-87-2,"3,7-dimethyloct-2-enyl acetate","3,7-dimethyloct-2-en-1-yl acetate",CC(C)CCCC(C)=CCOC(C)=O,CC(C)CCCC(C)=CCOC(C)=O,"InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h8,10H,5-7,9H2,1-4H3",C12H22O2,,,,,,LZLOAANJNAQPIH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.446,286-321-9,85204-26-8,"Butyl 3,3-dimethylbutyrate","butyl 3,3-dimethylbutanoate",CCCCOC(=O)CC(C)(C)C,CCCCOC(=O)CC(C)(C)C,"InChI=1/C10H20O2/c1-5-6-7-12-9(11)8-10(2,3)4/h5-8H2,1-4H3",C10H20O2,,,,,,GXSOWLLSDPRKOM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.452,286-328-7,85204-32-6,Sodium 3-amino-4-(methyloctadecylamino)benzenesulphonate,sodium 3-amino-4-[methyl(octadecyl)amino]benzenesulfonate,[Na+].CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)S(=O)(=O)[O-],"InChI=1/C25H46N2O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)25-20-19-23(22-24(25)26)31(28,29)30;/h19-20,22H,3-18,21,26H2,1-2H3,(H,28,29,30);/q;+1/p-1",C25H46N2O3S.Na,,,,,,HVGTUZKFPRMYSV-UHFFFAOYSA-M,,,,,,,,,,,
100.078.456,286-332-9,85204-36-0,3-[bis(hydroxymethyl)phosphinyl]propionamide,3-[bis(hydroxymethyl)phosphoryl]propanamide,NC(=O)CCP(=O)(CO)CO,NC(=O)CCP(=O)(CO)CO,"InChI=1/C5H12NO4P/c6-5(9)1-2-11(10,3-7)4-8/h7-8H,1-4H2,(H2,6,9)",C5H12NO4P,,,,,,YPMWAJHCYPIGOG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.459,286-336-0,85204-39-3,Potassium 4-chloro-2-cyclohexylphenolate,potassium 4-chloro-2-cyclohexylphenolate,[K+].[O-]c1ccc(Cl)cc1C2CCCCC2,[K+].[O-]c1ccc(Cl)cc1C2CCCCC2,"InChI=1/C12H15ClO.K/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9;/h6-9,14H,1-5H2;/q;+1/p-1",C12H15ClO.K,,,,,,QRHVQFBRGJCEMK-UHFFFAOYSA-M,,,,,,,,,,,
100.078.466,286-343-9,85204-56-4,"Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium methyl sulphate","N-(4-{[4'-(dimethylamino)biphenyl-2-yl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium methyl sulfate",COS(=O)(=O)[O-].CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3,COS(=O)(=O)[O-].CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3,"InChI=1/C23H25N2.CH4O4S/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;1-5-6(2,3)4/h5-17H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C23H25N2.CH3O4S,,,,,,ZLKIQCASXPNHIC-UHFFFAOYSA-M,,,,,,,,,,,
100.078.475,286-353-3,85223-01-4,5-chloro-2-(4-chlorophenoxy)benzenediazonium oxalate,bis[5-chloro-2-(4-chlorophenoxy)benzenediazonium] oxalate,[O-]C(=O)C(=O)[O-].Clc1ccc(Oc2ccc(Cl)cc2[N+]#N)cc1.Clc3ccc(Oc4ccc(Cl)cc4[N+]#N)cc3,[O-]C(=O)C(=O)[O-].Clc1ccc(Oc2ccc(Cl)cc2[N+]#N)cc1.Clc3ccc(Oc4ccc(Cl)cc4[N+]#N)cc3,"InChI=1/2C12H7Cl2N2O.C2H2O4/c2*13-8-1-4-10(5-2-8)17-12-6-3-9(14)7-11(12)16-15;3-1(4)2(5)6/h2*1-7H;(H,3,4)(H,5,6)/q2*+1;/p-2",C12H7Cl2N2O.C2HO4,,,,,,TURZCABAJXINMG-UHFFFAOYSA-L,,,,,,,,,,,
100.078.477,286-355-4,85223-03-6,"4-methyl-2-nitrobenzenediazonium naphthalene-1,5-disulphonate (1:1)",-,Cc1ccc([N+]#N)c(c1)[N+](=O)[O-].[O-]S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)[O-],Cc1ccc([N+]#N)c(c1)[N+](=O)[O-].[O-]S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.C7H6N3O2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-2-3-6(9-8)7(4-5)10(11)12/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-2",C10H7O6S2.C7H6N3O2,,,,,,BQRDIOOMNHUVIM-UHFFFAOYSA-L,,,,,,,,,,,
100.078.479,286-358-0,85223-05-8,"2-[[4-(2,2-dicyanovinyl)phenyl](2-phenylethyl)amino]ethyl (3,4-dichlorophenyl)carbamate","2-{[4-(2,2-dicyanovinyl)phenyl](2-phenylethyl)amino}ethyl (3,4-dichlorophenyl)carbamate",Clc1ccc(NC(=O)OCCN(CCc2ccccc2)c3ccc(C=C(C#N)C#N)cc3)cc1Cl,Clc1ccc(NC(=O)OCCN(CCc2ccccc2)c3ccc(C=C(C#N)C#N)cc3)cc1Cl,"InChI=1/C27H22Cl2N4O2/c28-25-11-8-23(17-26(25)29)32-27(34)35-15-14-33(13-12-20-4-2-1-3-5-20)24-9-6-21(7-10-24)16-22(18-30)19-31/h1-11,16-17H,12-15H2,(H,32,34)",C27H22Cl2N4O2,,,,,,XKXRMIZXLDXFLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.480,286-359-6,85223-06-9,"3,3'-(1H-isoindole-1,3(2H)-diylidene)bisquinoline-2,4(1H,3H)-dione","3,3'-(1H-isoindole-1,3(2H)-diylidene)diquinoline-2,4(1H,3H)-dione",O=C5c6ccccc6NC(=O)C5=C1NC(c2ccccc12)=C3C(=O)c4ccccc4NC3=O,O=C5c6ccccc6NC(=O)C5=C1NC(c2ccccc12)=C3C(=O)c4ccccc4NC3=O,"InChI=1/C26H15N3O4/c30-23-15-9-3-5-11-17(15)27-25(32)19(23)21-13-7-1-2-8-14(13)22(29-21)20-24(31)16-10-4-6-12-18(16)28-26(20)33/h1-12,29H,(H,27,32)(H,28,33)",C26H15N3O4,,,,,,VODSPHWTDRFZSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.608,288-700-4,85865-99-2,"2-(hydroxymethyl)-5,14-dioxo-2,17,17-tris[[(1-oxoallyl)oxy]methyl]-4,15-dioxa-6,13-diazaoctadecane-1,18-diyl diacrylate","2,17,17-tris[(acryloyloxy)methyl]-2-(hydroxymethyl)-5,14,20-trioxo-4,15,19-trioxa-6,13-diazadocos-21-en-1-yl acrylate (non-preferred name)",OCC(COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,OCC(COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C33H46N2O15/c1-6-25(37)44-18-32(17-36,19-45-26(38)7-2)20-49-30(42)34-15-13-11-12-14-16-35-31(43)50-24-33(21-46-27(39)8-3,22-47-28(40)9-4)23-48-29(41)10-5/h6-10,36H,1-5,11-24H2,(H,34,42)(H,35,43)",C33H46N2O15,,,,,,VWRFCUDTJZUOEA-UHFFFAOYSA-N,,,,,,,,,,,
100.081.084,289-225-5,86336-50-7,"1,4-dimethylbutane-1,4-diyl bismethacrylate","hexane-2,5-diyl bis(2-methylacrylate)",CC(CCC(C)OC(=O)C(=C)C)OC(=O)C(=C)C,CC(CCC(C)OC(=O)C(=C)C)OC(=O)C(=C)C,"InChI=1/C14H22O4/c1-9(2)13(15)17-11(5)7-8-12(6)18-14(16)10(3)4/h11-12H,1,3,7-8H2,2,4-6H3",C14H22O4,,,,,,ZJFDEZWTDPVMPL-UHFFFAOYSA-N,,,,,,,,,,,
100.081.091,289-232-3,86415-32-9,"Sodium 1,4-diicosyl sulphonatosuccinate","sodium 1,4-bis(icosyloxy)-1,4-dioxobutane-2-sulfonate",[Na+].CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C44H86O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-50-43(45)41-42(52(47,48)49)44(46)51-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h42H,3-41H2,1-2H3,(H,47,48,49);/q;+1/p-1",C44H86O7S.Na,,,,,,QOAKRQDIGIEPDU-UHFFFAOYSA-M,,,,,,,,,,,
100.081.093,289-234-4,86427-68-1,"2,4-dihydro-4-[(3-methoxyphenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one","4-[(3-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",COc1cccc(c1)N=NC3C(\\C)=N/N(c2ccccc2)C3=O,COc1cccc(c1)N=NC3C(\C)=N/N(c2ccccc2)C3=O,"InChI=1/C17H16N4O2/c1-12-16(19-18-13-7-6-10-15(11-13)23-2)17(22)21(20-12)14-8-4-3-5-9-14/h3-11,16H,1-2H3",C17H16N4O2,,,,,,JLXUFXYSMWPCQF-UHFFFAOYSA-N,,,,,,,,,,,
100.082.847,291-166-5,90342-29-3,"Decanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCC(=O)[O-],"InChI=1/C10H20O2.Zn/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+2/p-1",-,,,,,,DOXOHPUHPCBKMD-UHFFFAOYSA-M,,,,,,,,,,,
100.082.874,291-195-3,90342-56-6,"Dodecanoic acid, lead salt, basic",-,[Pb].OC(=O)CCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCC,"InChI=1/C12H24O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-11H2,1H3,(H,13,14);;;/q;+4;;/rC12H24O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);1H2/q;+4",-,,,,,,XGHRXRCHWSKLFK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.757,287-763-5,85567-49-3,Choline hydrogen L-glutamate,"2-hydroxy-N,N,N-trimethylethanaminium hydrogen 2-aminopentanedioate",C[N+](C)(C)CCO.N[C@@H](CCC(=O)[O-])C(=O)[O-],C[N+](C)(C)CCO.N[C@@H](CCC(=O)[O-])C(=O)[O-],"InChI=1/C5H9NO4.C5H14NO/c6-3(5(9)10)1-2-4(7)8;1-6(2,3)4-5-7/h3H,1-2,6H2,(H,7,8)(H,9,10);7H,4-5H2,1-3H3/q;+1/p-2",C5H14NO.C5H8NO4,,,,,,ARKFKCBERVQXGI-DFWYDOINSA-L,,,,,,,,,,,
100.079.758,287-764-0,85567-50-6,"Glycolic acid, compound with morpholine(1:1)",hydroxyacetic acid - morpholine (1:1),OCC(=O)O.C1COCCN1,OCC(=O)O.C1COCCN1,"InChI=1/C4H9NO.C2H4O3/c1-3-6-4-2-5-1;3-1-2(4)5/h5H,1-4H2;3H,1H2,(H,4,5)",C8H8O3.C4H9NO,,,,,,RIUDGYLEEGUDAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.759,287-765-6,85567-51-7,2-(2-thienyl)ethyl benzenesulphonate,2-(2-thienyl)ethyl benzenesulfonate,O=S(=O)(OCCc1cccs1)c2ccccc2,O=S(=O)(OCCc1cccs1)c2ccccc2,"InChI=1/C12H12O3S2/c13-17(14,12-6-2-1-3-7-12)15-9-8-11-5-4-10-16-11/h1-7,10H,8-9H2",C12H12O3S2,,,,,,SXYFRONLEKYUEC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.761,287-767-7,85567-53-9,5-carbamoyl-2-methoxybenzenediazonium tetrachlorozincate (2:1),bis(5-carbamoyl-2-methoxybenzenediazonium) tetrachlorozincate(2-),COc1ccc(cc1[N+]#N)C(=O)N.COc2ccc(cc2[N+]#N)C(=O)N.Cl[Zn-2](Cl)(Cl)Cl,COc1ccc(cc1[N+]#N)C(=O)N.COc2ccc(cc2[N+]#N)C(=O)N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C8H7N3O2.4ClH.Zn/c2*1-13-7-3-2-5(8(9)12)4-6(7)11-10;;;;;/h2*2-4H,1H3,(H-,9,12);4*1H;/q;;;;;;+2/p-2/r2C8H7N3O2.Cl4Zn/c2*1-13-7-3-2-5(8(9)12)4-6(7)11-10;1-5(2,3)4/h2*2-4H,1H3,(H-,9,12);/q;;-2/p+2",C8H8N3O2.1/2Cl4Zn,,,,,,SPEHRSOGEBKZMJ-UHFFFAOYSA-L,,,,,,,,,,,
100.079.762,287-768-2,85567-54-0,"5-benzoylamino-2,4-dimethoxybenzenediazonium tetrachlorozincate (2:1)","bis[5-(benzoylamino)-2,4-dimethoxybenzenediazonium] tetrachlorozincate(2-)",COc1cc(OC)c(cc1NC(=O)c2ccccc2)[N+]#N.COc3cc(OC)c(cc3NC(=O)c4ccccc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,COc1cc(OC)c(cc1NC(=O)c2ccccc2)[N+]#N.COc3cc(OC)c(cc3NC(=O)c4ccccc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C15H13N3O3.4ClH.Zn/c2*1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2/r2C15H13N3O3.Cl4Zn/c2*1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;1-5(2,3)4/h2*3-9H,1-2H3;/q;;-2/p+2",C15H14N3O3.1/2Cl4Zn,,,,,,LHMVTTJFAIZOEW-UHFFFAOYSA-L,,,,,,,,,,,
100.079.763,287-769-8,85567-55-1,2-[(2-chloro-4-nitrophenyl)azo]-5-methoxy-4-methylbenzenediazonium tetrachlorozincate (2:1),bis{2-[(2-chloro-4-nitrophenyl)diazenyl]-5-methoxy-4-methylbenzenediazonium} tetrachlorozincate(2-),Clc2cc(ccc2N=Nc1cc(C)c(OC)cc1[N+]#N)[N+]([O-])=O.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c2cc(Cl)c(N=Nc1cc(C)c(OC)cc1[N+]#N)cc2,Clc2cc(ccc2N=Nc1cc(C)c(OC)cc1[N+]#N)[N+]([O-])=O.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c2cc(Cl)c(N=Nc1cc(C)c(OC)cc1[N+]#N)cc2,"InChI=1/2C14H11ClN5O3.4ClH.Zn/c2*1-8-5-13(12(17-16)7-14(8)23-2)19-18-11-4-3-9(20(21)22)6-10(11)15;;;;;/h2*3-7H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H11ClN5O3.Cl4Zn/c2*1-8-5-13(12(17-16)7-14(8)23-2)19-18-11-4-3-9(20(21)22)6-10(11)15;1-5(2,3)4/h2*3-7H,1-2H3;/q2*+1;-2",C14H11ClN5O3.1/2Cl4Zn,,,,,,LICSTXWHMNVWOS-UHFFFAOYSA-J,,,,,,,,,,,
100.081.106,289-249-6,86579-34-2,"N,N'-bis[4-(1,1,3,3-tetramethylbutyl)phenyl]benzene-1,4-diamine","N,N'-bis[4-(1,1,3,3-tetramethylbutyl)phenyl]benzene-1,4-diamine",CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3)C(C)(C)CC(C)(C)C)cc2)cc1,CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(cc3)C(C)(C)CC(C)(C)C)cc2)cc1,"InChI=1/C34H48N2/c1-31(2,3)23-33(7,8)25-11-15-27(16-12-25)35-29-19-21-30(22-20-29)36-28-17-13-26(14-18-28)34(9,10)24-32(4,5)6/h11-22,35-36H,23-24H2,1-10H3",C34H48N2,,,,,,KNPKMWIAPZOEKT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.425,298-414-1,93804-38-7,"4-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid","4-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]-2-{[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonic acid",CC(C)Oc1nc(Cl)nc(n1)Nc4cc(N=NC3C(\\C)=N/N(c2c(Cl)cccc2C)C3=O)c(cc4)S(O)(=O)=O,CC(C)Oc1nc(Cl)nc(n1)Nc4cc(N=NC3C(\C)=N/N(c2c(Cl)cccc2C)C3=O)c(cc4)S(O)(=O)=O,"InChI=1/C23H22Cl2N8O5S/c1-11(2)38-23-28-21(25)27-22(29-23)26-14-8-9-17(39(35,36)37)16(10-14)30-31-18-13(4)32-33(20(18)34)19-12(3)6-5-7-15(19)24/h5-11,18H,1-4H3,(H,35,36,37)(H,26,27,28,29)",C23H22Cl2N8O5S,,,,,,MBHGUVULSNCWKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.431,298-420-4,93804-45-6,2-methyloctyl acrylate,2-methyloctyl acrylate,CCCCCCC(C)COC(=O)C=C,CCCCCCC(C)COC(=O)C=C,"InChI=1/C12H22O2/c1-4-6-7-8-9-11(3)10-14-12(13)5-2/h5,11H,2,4,6-10H2,1,3H3",C12H22O2,,,,,,VISWPKGUIWDFQG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.433,298-423-0,93804-47-8,2-methyldecyl acrylate,2-methyldecyl acrylate,CCCCCCCCC(C)COC(=O)C=C,CCCCCCCCC(C)COC(=O)C=C,"InChI=1/C14H26O2/c1-4-6-7-8-9-10-11-13(3)12-16-14(15)5-2/h5,13H,2,4,6-12H2,1,3H3",C14H26O2,,,,,,OVZNCXVUIWIDLP-UHFFFAOYSA-N,,,,,,,,,,,
100.089.440,298-430-9,93804-54-7,2-methylheptadecyl acrylate,2-methylheptadecyl acrylate,CCCCCCCCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C21H40O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(3)19-23-21(22)5-2/h5,20H,2,4,6-19H2,1,3H3",C21H40O2,,,,,,AUXKWRBBFHSBHH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.441,298-431-4,93804-55-8,2-methyloctadecyl acrylate,2-methyloctadecyl acrylate,CCCCCCCCCCCCCCCCC(C)COC(=O)C=C,CCCCCCCCCCCCCCCCC(C)COC(=O)C=C,"InChI=1/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(3)20-24-22(23)5-2/h5,21H,2,4,6-20H2,1,3H3",C22H42O2,,,,,,KZMXOWBRTHYSGW-UHFFFAOYSA-N,,,,,,,,,,,
100.090.872,300-006-6,93919-21-2,"3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulpho-1-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulpho-2-naphthyl]azo]-p-anisic acid","3-({1-hydroxy-6-[({4-[(8-hydroxy-3,6-disulfo-1-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-3-sulfo-2-naphthyl}diazenyl)-4-methoxybenzoic acid",COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc3cc(C)c(N=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O)cc3OC)ccc4c5O)S(O)(=O)=O)C(O)=O,COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc3cc(C)c(N=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O)cc3OC)ccc4c5O)S(O)(=O)=O)C(O)=O,"InChI=1/C37H30N6O16S3/c1-17-8-26(31(59-3)16-25(17)40-42-28-14-22(60(49,50)51)10-20-11-23(61(52,53)54)15-29(44)33(20)28)39-37(48)38-21-5-6-24-19(9-21)13-32(62(55,56)57)34(35(24)45)43-41-27-12-18(36(46)47)4-7-30(27)58-2/h4-16,44-45H,1-3H3,(H,46,47)(H2,38,39,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)",C37H30N6O16S3,,,,,,MWYLDWDALWYHNN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.375,302-760-1,94133-95-6,"3,3'-methylenebis(5-hydroxybenzenesulphonic) acid","3,3'-methylenebis(5-hydroxybenzenesulfonic acid)",Oc1cc(Cc2cc(O)cc(c2)S(=O)(=O)O)cc(c1)S(=O)(=O)O,Oc1cc(Cc2cc(O)cc(c2)S(=O)(=O)O)cc(c1)S(=O)(=O)O,"InChI=1/C13H12O8S2/c14-10-2-8(4-12(6-10)22(16,17)18)1-9-3-11(15)7-13(5-9)23(19,20)21/h2-7,14-15H,1H2,(H,16,17,18)(H,19,20,21)",C13H12O8S2,,,,,,XPRWEHOMFVEFRM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.381,302-766-4,94134-01-7,"N,N-bis(carboxymethyl)glycine, compound with 2-aminoethanol (1:3)","2,2',2''-nitrilotriacetic acid - 2-aminoethanol (1:3)",NCCO.NCCO.NCCO.OC(=O)CN(CC(=O)O)CC(=O)O,NCCO.NCCO.NCCO.OC(=O)CN(CC(=O)O)CC(=O)O,"InChI=1/C6H9NO6.3C2H7NO/c8-4(9)1-7(2-5(10)11)3-6(12)13;3*3-1-2-4/h1-3H2,(H,8,9)(H,10,11)(H,12,13);3*4H,1-3H2",C6H9NO6.3C2H7NO,,,,,,FUYYLSRRKSTFPO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.384,302-770-6,94134-04-0,"Methyl 2-[(3,7-dimethyloctylidene)amino]benzoate","methyl 2-[(3,7-dimethyloctylidene)amino]benzoate",COC(=O)c1ccccc1N=CCC(C)CCCC(C)C,COC(=O)c1ccccc1N=CCC(C)CCCC(C)C,"InChI=1/C18H27NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,10-11,13-15H,7-9,12H2,1-4H3",C18H27NO2,,,,,,BHHAGTCBFIQRCK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.385,302-771-1,94134-05-1,"1-acetyl-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine","1-acetyl-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine",COc1c(Cl)cc(Cl)cc1OCCC2CCCN2C(=O)C,COc1c(Cl)cc(Cl)cc1OCCC2CCCN2C(=O)C,"InChI=1/C15H19Cl2NO3/c1-10(19)18-6-3-4-12(18)5-7-21-14-9-11(16)8-13(17)15(14)20-2/h8-9,12H,3-7H2,1-2H3",C15H19Cl2NO3,,,,,,ONPFSHSWLNDJJP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.392,302-779-5,94134-12-0,"1,1'-(hexane-1,6-diyl)bisimidazolidine-2,4-dione","1,1'-hexane-1,6-diyldiimidazolidine-2,4-dione",O=C1CN(CCCCCCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCCCCCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C12H18N4O4/c17-9-7-15(11(19)13-9)5-3-1-2-4-6-16-8-10(18)14-12(16)20/h1-8H2,(H,13,17,19)(H,14,18,20)",C12H18N4O4,,,,,,PVGMGWHNYDUURH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.402,302-790-5,94134-22-2,Dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl][3-(triethoxysilyl)propyl]ammonium chloride,"N-[2-(methacryloyloxy)ethyl]-N,N-dimethyl-3-(triethoxysilyl)propan-1-aminium chloride",[Cl-].CCO[Si](CCC[N+](C)(C)CCOC(=O)C(=C)C)(OCC)OCC,[Cl-].CCO[Si](CCC[N+](C)(C)CCOC(=O)C(=C)C)(OCC)OCC,"InChI=1/C17H36NO5Si.ClH/c1-8-21-24(22-9-2,23-10-3)15-11-12-18(6,7)13-14-20-17(19)16(4)5;/h4,8-15H2,1-3,5-7H3;1H/q+1;/p-1",C17H36NO5Si.Cl,,,,,,NOWUXLXKHZEGIS-UHFFFAOYSA-M,,,,,,,,,,,
100.080.614,288-707-2,85866-05-3,"9-decene-1,2-diol","dec-9-ene-1,2-diol",OCC(O)CCCCCCC=C,OCC(O)CCCCCCC=C,"InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-10(12)9-11/h2,10-12H,1,3-9H2",C10H20O2,,,,,,JZRZUZGKZKFMJO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.645,286-539-4,85252-23-9,"1-Propanol, 2,3-dibromo-, phosphate, compd. with 2-aminoethanol",-,NCCO.[O-]P(=O)([O-])OCC(Br)CBr,NCCO.[O-]P(=O)([O-])OCC(Br)CBr,"InChI=1/C3H7Br2O4P.C2H7NO/c4-1-3(5)2-9-10(6,7)8;3-1-2-4/h3H,1-2H2,(H2,6,7,8);4H,1-3H2/p-2",-,,,,,,ICMXWZJDVBQQNC-UHFFFAOYSA-L,,,,,,,,,,,
100.078.649,286-544-1,85252-27-3,"2-hydroxy-5,6-ditetradecyl-1,3,2-benzodioxaborole","5,6-ditetradecyl-1,3,2-benzodioxaborol-2-ol",CCCCCCCCCCCCCCc1cc2OB(O)Oc2cc1CCCCCCCCCCCCCC,CCCCCCCCCCCCCCc1cc2OB(O)Oc2cc1CCCCCCCCCCCCCC,"InChI=1/C34H61BO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33-34(38-35(36)37-33)30-32(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,36H,3-28H2,1-2H3",C34H61BO3,,,,,,GRYZCQIFGJNNOW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.657,286-553-0,85264-33-1,"3,5-dimethyl-1H-pyrazole-1-methanol","(3,5-dimethyl-1H-pyrazol-1-yl)methanol",Cc1cc(C)n(CO)n1,Cc1cc(C)n(CO)n1,"InChI=1/C6H10N2O/c1-5-3-6(2)8(4-9)7-5/h3,9H,4H2,1-2H3",C6H10N2O,,,,,,OBENDWOJIFFDLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.663,286-559-3,85269-36-9,3-methylbuten-2-yl methacrylate,2-methyl-1-methylenepropyl methacrylate,CC(C)C(=C)OC(=O)C(=C)C,CC(C)C(=C)OC(=O)C(=C)C,"InChI=1/C9H14O2/c1-6(2)8(5)11-9(10)7(3)4/h6H,3,5H2,1-2,4H3",C9H14O2,,,,,,YOKOQKPBIKJVBM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.665,286-561-4,85269-38-1,"3-(dimethylamino)-2,2-dimethylpropyl methacrylate hydrochloride","3-(dimethylamino)-2,2-dimethylpropyl 2-methylacrylate hydrochloride",Cl.CN(C)CC(C)(C)COC(=O)C(=C)C,Cl.CN(C)CC(C)(C)COC(=O)C(=C)C,"InChI=1/C11H21NO2.ClH/c1-9(2)10(13)14-8-11(3,4)7-12(5)6;/h1,7-8H2,2-6H3;1H",C11H21NO2.ClH,,,,,,ATXOTVVKJIBVBD-UHFFFAOYSA-N,,,,,,,,,,,
100.078.690,286-589-7,85283-61-0,"4-[(4-amino-m-tolyl)(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methyl]-o-toluidine monoacetate","4,4'-[(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methylene]bis(2-methylaniline) acetate",CC(=O)O.CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N,CC(=O)O.CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N,"InChI=1/C22H23N3.C2H4O2/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-2(3)4/h4-12,23H,24-25H2,1-3H3;1H3,(H,3,4)",C22H23N3.C2H4O2,,,,,,MHFOTLKZLUJHBW-UHFFFAOYSA-N,,,,,,,,,,,
100.078.705,286-605-2,85283-78-9,"5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium hydrogen sulphate","5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium hydrogen sulfate",COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\\C=C\\c3c(c4ccccc4)n(C)c5ccccc35.[O-]S(=O)(=O)[O-],COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.[O-]S(=O)(=O)[O-],"InChI=1/C29H29N2O.H2O4S/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5(2,3)4/h6-19H,1-5H3;(H2,1,2,3,4)/q+1;/p-2",C29H29N2O.HO4S,,,,,,NJPNVCQLPSZMHN-UHFFFAOYSA-L,,,,,,,,,,,
100.083.963,292-393-2,90604-96-9,"Hexanedioic acid, octadecyl ester",6-(octadecyloxy)-6-oxohexanoic acid,CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O,CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O,"InChI=1/C24H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-24(27)21-18-17-20-23(25)26/h2-22H2,1H3,(H,25,26)",-,,,,,,ABXNBKQSDWIZQP-UHFFFAOYSA-N,,,,,,,,,,,
100.083.964,292-394-8,90604-97-0,"Hexanedioic acid, oxiranylmethyl ester",6-(oxiran-2-ylmethoxy)-6-oxohexanoic acid,OC(=O)CCCCC(=O)OCC1CO1,OC(=O)CCCCC(=O)OCC1CO1,"InChI=1/C9H14O5/c10-8(11)3-1-2-4-9(12)14-6-7-5-13-7/h7H,1-6H2,(H,10,11)",-,,,,,,ACVCIJWFRHNPBF-UHFFFAOYSA-N,,,,,,,,,,,
100.083.969,292-400-9,90605-03-1,"Phosphoric acid, decyl ester, ammonium salt",ammonium decyl hydrogen phosphate,[NH4+].CCCCCCCCCCOP(=O)(O)[O-],[NH4+].CCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C10H23O4P.H3N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H2,11,12,13);1H3",-,,,,,,AXAULTGMMREEPW-UHFFFAOYSA-N,,,,,,,,,,,
100.083.970,292-401-4,90605-04-2,"Phosphoric acid, decyl ester, sodium salt",sodium decyl hydrogen phosphate,[Na+].CCCCCCCCCCOP(=O)(O)[O-],[Na+].CCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C10H23O4P.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H2,11,12,13);/q;+1/p-1",-,,,,,,KLEHMHBLPUXXPU-UHFFFAOYSA-M,,,,,,,,,,,
100.083.976,292-408-2,90605-10-0,"Phosphoric acid, methyl ester, potassium salt",potassium methyl hydrogen phosphate,[K+].COP(=O)(O)[O-],[K+].COP(=O)(O)[O-],"InChI=1/CH5O4P.K/c1-5-6(2,3)4;/h1H3,(H2,2,3,4);/q;+1/p-1",-,,,,,,YBEAIHJOTHOYDY-UHFFFAOYSA-M,,,,,,,,,,,
100.083.985,292-418-7,90605-19-9,"Sulfamic acid, aluminum salt, basic",-,[Al+3].NS(=O)(=O)[O-],[Al+3].NS(=O)(=O)[O-],"InChI=1/Al.H3NO3S/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-1",-,,,,,,HPYIUMKORLVEJN-UHFFFAOYSA-M,,,,,,,,,,,
100.083.988,292-421-3,90609-58-8,3-(but-1-enyl)pyridine,3-but-1-en-1-ylpyridine,CCC=Cc1cccnc1,CCC=Cc1cccnc1,"InChI=1/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h3-8H,2H2,1H3",C9H11N,,,,,,KTXMSWAHSUYOHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.610,288-703-0,85866-01-9,"2,2-bis[[(1-oxoallyl)oxy]methyl]butyl 10,16-dioxo-13,13-bis[[(1-oxoallyl)oxy]methyl]-11,15-dioxa-2,9-diazaoctadec-17-enoate","2,17,17-tris[(acryloyloxy)methyl]-2-ethyl-5,14,20-trioxo-4,15,19-trioxa-6,13-diazadocos-21-en-1-yl acrylate (non-preferred name)",CCC(COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,CCC(COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C34H48N2O14/c1-7-26(37)44-19-33(12-6,20-45-27(38)8-2)21-49-31(42)35-17-15-13-14-16-18-36-32(43)50-25-34(22-46-28(39)9-3,23-47-29(40)10-4)24-48-30(41)11-5/h7-11H,1-5,12-25H2,6H3,(H,35,42)(H,36,43)",C34H48N2O14,,,,,,FUTNTFKKRXSZOA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.486,286-365-9,85223-12-7,"1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine","6'-[ethyl(4-methylphenyl)amino]-2'-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(Nc5ccc(cc5)S(=O)(=O)N6CCCC6)cc4C37OC(=O)c8ccccc78)c2,CCN(c1ccc(C)cc1)c2ccc3c(Oc4ccc(Nc5ccc(cc5)S(=O)(=O)N6CCCC6)cc4C37OC(=O)c8ccccc78)c2,"InChI=1/C39H35N3O5S/c1-3-42(29-15-10-26(2)11-16-29)30-17-20-34-37(25-30)46-36-21-14-28(24-35(36)39(34)33-9-5-4-8-32(33)38(43)47-39)40-27-12-18-31(19-13-27)48(44,45)41-22-6-7-23-41/h4-5,8-21,24-25,40H,3,6-7,22-23H2,1-2H3",C39H35N3O5S,,,,,,ODFVAHYUYMPHJA-UHFFFAOYSA-N,,,,,,,,,,,
100.078.487,286-366-4,85223-13-8,"1-[[4-[[6'-(dibutylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]piperidine","6'-(dibutylamino)-2'-{[4-(piperidin-1-ylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCN(CCCC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)S(=O)(=O)N5CCCCC5)cc3C26OC(=O)c7ccccc67)c1,CCCCN(CCCC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)S(=O)(=O)N5CCCCC5)cc3C26OC(=O)c7ccccc67)c1,"InChI=1/C39H43N3O5S/c1-3-5-22-41(23-6-4-2)30-17-20-34-37(27-30)46-36-21-16-29(26-35(36)39(34)33-13-9-8-12-32(33)38(43)47-39)40-28-14-18-31(19-15-28)48(44,45)42-24-10-7-11-25-42/h8-9,12-21,26-27,40H,3-7,10-11,22-25H2,1-2H3",C39H43N3O5S,,,,,,DQZZIPZLLBZSNG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.619,288-713-5,85866-10-0,"Tetradecane-1,2,13,14-tetrol","tetradecane-1,2,13,14-tetrol",OCC(O)CCCCCCCCCCC(O)CO,OCC(O)CCCCCCCCCCC(O)CO,"InChI=1/C14H30O4/c15-11-13(17)9-7-5-3-1-2-4-6-8-10-14(18)12-16/h13-18H,1-12H2",C14H30O4,,,,,,SHSYIUNPNAKBKC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.622,288-716-1,85866-13-3,2-oxononan-1-amide,2-oxononanamide,CCCCCCCC(=O)C(=O)N,CCCCCCCC(=O)C(=O)N,"InChI=1/C9H17NO2/c1-2-3-4-5-6-7-8(11)9(10)12/h2-7H2,1H3,(H2,10,12)",C9H17NO2,,,,,,GGPGBWZFDWFGBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.623,288-717-7,85866-14-4,Ethyl 1-butylpiperidine-2-carboxylate,ethyl 1-butylpiperidine-2-carboxylate,CCCCN1CCCCC1C(=O)OCC,CCCCN1CCCCC1C(=O)OCC,"InChI=1/C12H23NO2/c1-3-5-9-13-10-7-6-8-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3",C12H23NO2,,,,,,OAAXEKNPTNLHID-UHFFFAOYSA-N,,,,,,,,,,,
100.083.909,292-334-0,90604-40-3,"Alcohols, C12-15-branched and linear",10-ethyldodecan-1-ol,CCC(CC)CCCCCCCCCO,CCC(CC)CCCCCCCCCO,"InChI=1/C14H30O/c1-3-14(4-2)12-10-8-6-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13601,https://echa.europa.eu/substance-information/-/substanceinfo/100.083.909,HRKPLDTVRCQFLV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.654,286-549-9,85252-32-0,Sodium 4-[[4-[(nitrophenyl)nitrosoamino]phenyl]azo]benzenesulphonate,sodium 4-({4-[(2-nitrophenyl)(nitroso)amino]phenyl}diazenyl)benzenesulfonate,[Na+].[O-][N+](=O)c1ccccc1N(N=O)c3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3,[Na+].[O-][N+](=O)c1ccccc1N(N=O)c3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3,"InChI=1/C18H13N5O6S.Na/c24-21-22(17-3-1-2-4-18(17)23(25)26)15-9-5-13(6-10-15)19-20-14-7-11-16(12-8-14)30(27,28)29;/h1-12H,(H,27,28,29);/q;+1/p-1",C18H13N5O6S.Na,,,,,,IDKOWUHJHMOTPZ-UHFFFAOYSA-M,,,,,,,,,,,
100.078.658,286-554-6,85269-30-3,"[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium sulphate (2:1)","bis[N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium] sulfate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccc(cc6)N(C)C.[O-]S(=O)(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccc(cc6)N(C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C25H30N3.H2O4S/c2*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;1-5(2,3)4/h2*7-18H,1-6H3;(H2,1,2,3,4)/q2*+1;/p-2",C25H30N3.1/2O4S,,,,,,BUCKMOUIYMDBRU-UHFFFAOYSA-L,,,,,,,,,,,
100.078.664,286-560-9,85269-37-0,1-(methoxymethyl)propyl acrylate,1-(methoxymethyl)propyl acrylate,CCC(COC)OC(=O)C=C,CCC(COC)OC(=O)C=C,"InChI=1/C8H14O3/c1-4-7(6-10-3)11-8(9)5-2/h5,7H,2,4,6H2,1,3H3",C8H14O3,,,,,,UGUWQOBYUTTXNN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.676,286-574-5,85280-21-3,"Sodium 1-amino-4-[[(aminosulphonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-methyl-2-sulfamoylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)N,[Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)N,"InChI=1/C21H17N3O7S2.Na/c1-10-6-7-13(15(8-10)32(23,27)28)24-14-9-16(33(29,30)31)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26;/h2-9,24H,22H2,1H3,(H2,23,27,28)(H,29,30,31);/q;+1/p-1",C21H17N3O7S2.Na,,,,,,DLHUBHGUFOJHRR-UHFFFAOYSA-M,,,,,,,,,,,
100.082.172,290-424-4,90146-05-7,3-(6-ethoxybenzothiazol-2-yl)-7-methoxy-2-oxo-2H-1-benzopyran-4-carbonitrile,"3-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-2-oxo-2H-chromene-4-carbonitrile",CCOc1ccc2nc(sc2c1)C3=C(C#N)c4ccc(OC)cc4OC3=O,CCOc1ccc2nc(sc2c1)C3=C(C#N)c4ccc(OC)cc4OC3=O,"InChI=1/C20H14N2O4S/c1-3-25-12-5-7-15-17(9-12)27-19(22-15)18-14(10-21)13-6-4-11(24-2)8-16(13)26-20(18)23/h4-9H,3H2,1-2H3",C20H14N2O4S,,,,,,RLIOSGKNGRNYPS-UHFFFAOYSA-N,,,,,,,,,,,
100.081.107,289-250-1,86579-35-3,"N-phenyl-N'-[4-(1,1,3,3-tetramethylbutyl)phenyl]benzene-1,4-diamine","N-phenyl-N'-[4-(1,1,3,3-tetramethylbutyl)phenyl]benzene-1,4-diamine",CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1,CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1,"InChI=1/C26H32N2/c1-25(2,3)19-26(4,5)20-11-13-22(14-12-20)28-24-17-15-23(16-18-24)27-21-9-7-6-8-10-21/h6-18,27-28H,19H2,1-5H3",C26H32N2,,,,,,FANJOUDFTDBLDM-UHFFFAOYSA-N,,,,,,,,,,,
100.081.108,289-251-7,86579-36-4,"N-[4-(1,1-dimethylpropyl)phenyl]-N'-phenylbenzene-1,4-diamine","N-[4-(1,1-dimethylpropyl)phenyl]-N'-phenylbenzene-1,4-diamine",CCC(C)(C)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1,CCC(C)(C)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1,"InChI=1/C23H26N2/c1-4-23(2,3)18-10-12-20(13-11-18)25-22-16-14-21(15-17-22)24-19-8-6-5-7-9-19/h5-17,24-25H,4H2,1-3H3",C23H26N2,,,,,,RYHCBSRDOLORRF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.113,289-256-4,86601-84-5,Octadecyl (Z)-docos-13-enoate,octadecyl docos-13-enoate,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3",C40H78O2,,,,,,ZFCUBQOYWAZKNO-ZPHPHTNESA-N,,,,,,,,,,,
100.081.114,289-258-5,86604-78-6,"4-methoxy-3,5-dimethylpyridine-2-methanol","(4-methoxy-3,5-dimethylpyridin-2-yl)methanol",COc1c(C)cnc(CO)c1C,COc1c(C)cnc(CO)c1C,"InChI=1/C9H13NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3",C9H13NO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7691,https://echa.europa.eu/substance-information/-/substanceinfo/100.081.114,PSEPRWKZZJWRCB-UHFFFAOYSA-N,,,,,,,,,,,
100.081.115,289-259-0,86604-94-6,4-chloro-5-methyl-1H-imidazole,5-chloro-4-methyl-1H-imidazole,Cc1nc[nH]c1Cl,Cc1nc[nH]c1Cl,"InChI=1/C4H5ClN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)",C4H5ClN2,,,,,,QJHGJSHNFXKDQH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.119,289-263-2,86626-73-5,"2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl 3-(trichloromethyl)benzoate","2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}ethyl 3-(trichloromethyl)benzoate",CCN(CCOC(=O)c1cccc(c1)C(Cl)(Cl)Cl)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCOC(=O)c1cccc(c1)C(Cl)(Cl)Cl)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C23H20Cl3N3O2/c1-3-29(21-8-7-18(16(2)11-21)12-17(14-27)15-28)9-10-31-22(30)19-5-4-6-20(13-19)23(24,25)26/h4-8,11-13H,3,9-10H2,1-2H3",C23H20Cl3N3O2,,,,,,CZLWIAXELSOCIG-UHFFFAOYSA-N,,,,,,,,,,,
100.081.122,289-266-9,86638-19-9,Triammonium hexabromoiridate,-,[NH4+].[NH4+].[NH4+].Br[Ir-2](Br)(Br)(Br)(Br)Br,[NH4+].[NH4+].[NH4+].Br[Ir-2](Br)(Br)(Br)(Br)Br,"InChI=1/6BrH.Ir.3H3N/h6*1H;;3*1H3/q;;;;;;+4;;;/p-3/rBr6Ir.3H3N/c1-7(2,3,4,5)6;;;/h;3*1H3/q-2;;;/p+3",Br6Ir.3H4N,,,,,,NEUWPGHNYTZUNF-UHFFFAOYSA-K,,,,,,,,,,,
100.079.164,287-110-4,85409-42-3,Sodium difluorodihydroxyborate(1-),sodium difluoro(dihydroxy)borate(1-),[Na+].O[B-](O)(F)F,[Na+].O[B-](O)(F)F,"InChI=1/BF2H2O2.Na/c2-1(3,4)5;/h4-5H;/q-1;+1",BF2H2O2.Na,,,,,,JUMOEKDXORQUET-UHFFFAOYSA-N,,,,,,,,,,,
100.079.166,287-113-0,85409-44-5,"2,2-dichloro-N-[1-(chloromethyl)-2-(4-chlorophenyl)-2-oxoethyl]acetamide","2,2-dichloro-N-[1-(chloromethyl)-2-(4-chlorophenyl)-2-oxoethyl]acetamide",ClCC(NC(=O)C(Cl)Cl)C(=O)c1ccc(Cl)cc1,ClCC(NC(=O)C(Cl)Cl)C(=O)c1ccc(Cl)cc1,"InChI=1/C11H9Cl4NO2/c12-5-8(16-11(18)10(14)15)9(17)6-1-3-7(13)4-2-6/h1-4,8,10H,5H2,(H,16,18)",C11H9Cl4NO2,,,,,,MLVKMSCFQIQULM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.172,287-119-3,85409-50-3,4-hydroxy-3-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid,4-hydroxy-3-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2-sulfonic acid,O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2ccccc2c3O)S(O)(=O)=O)c(C)cc4,O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2ccccc2c3O)S(O)(=O)=O)c(C)cc4,"InChI=1/C23H19N3O6S2/c1-15-11-12-18(33(28,29)26-17-8-3-2-4-9-17)14-20(15)24-25-22-21(34(30,31)32)13-16-7-5-6-10-19(16)23(22)27/h2-14,26-27H,1H3,(H,30,31,32)",C23H19N3O6S2,,,,,,BUKNNWICSNVVSM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.885,289-005-9,85959-15-5,Ammonium dihydrogen 3-sulphonatophthalate,ammonium dihydrogen 3-sulfonatophthalate,[NH4+].[O-]C(=O)c1cccc(c1C(=O)[O-])S(=O)(=O)[O-],[NH4+].[O-]C(=O)c1cccc(c1C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C8H6O7S.H3N/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1H3/p-2",C8H6O7S.H3N,,,,,,JPHSPXLEYNHBAV-UHFFFAOYSA-L,,,,,,,,,,,
100.080.892,289-013-2,85959-22-4,"5-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonic acid","5-({2,4-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3cc(ccc3O)[N+]([O-])=O)c(O)c45)S(O)(=O)=O)S(O)(=O)=O,Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3cc(ccc3O)[N+]([O-])=O)c(O)c45)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C28H18N8O14S2/c37-21-7-5-16(36(43)44)11-19(21)31-34-26-23(52(48,49)50)10-13-9-17(51(45,46)47)12-20(24(13)28(26)40)32-30-18-6-8-22(38)25(27(18)39)33-29-14-1-3-15(4-2-14)35(41)42/h1-12,37-40H,(H,45,46,47)(H,48,49,50)",C28H18N8O14S2,,,,,,ZCRIAKTZUSQIMP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.408,302-796-8,94134-28-8,[[(2-methyltetradecyl)oxy]methyl]oxirane,2-{[(2-methyltetradecyl)oxy]methyl}oxirane,CCCCCCCCCCCCC(C)COCC1CO1,CCCCCCCCCCCCC(C)COCC1CO1,"InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)14-19-15-18-16-20-18/h17-18H,3-16H2,1-2H3",C18H36O2,,,,,,KWJIMWYXSRQWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.350,300-531-0,93941-81-2,"1,3-dimethylbutyl 2-(2,4-dichlorophenoxy)acetate","1,3-dimethylbutyl (2,4-dichlorophenoxy)acetate",CC(C)CC(C)OC(=O)COc1ccc(Cl)cc1Cl,CC(C)CC(C)OC(=O)COc1ccc(Cl)cc1Cl,"InChI=1/C14H18Cl2O3/c1-9(2)6-10(3)19-14(17)8-18-13-5-4-11(15)7-12(13)16/h4-5,7,9-10H,6,8H2,1-3H3",C14H18Cl2O3,,,,,,ZBLQQEZPADHJIF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.352,300-533-1,93941-83-4,3-(diethylamino)-7-(dimethylamino)phenothiazin-5-ium tetrachlorozincate (2:1),bis[3-(diethylamino)-7-(dimethylamino)phenothiazin-5-ium] tetrachlorozincate(2-),CCN(CC)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.CCN(CC)c4ccc5nc6ccc(cc6[s+]c5c4)N(C)C.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.CCN(CC)c4ccc5nc6ccc(cc6[s+]c5c4)N(C)C.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C18H22N3S.4ClH.Zn/c2*1-5-21(6-2)14-8-10-16-18(12-14)22-17-11-13(20(3)4)7-9-15(17)19-16;;;;;/h2*7-12H,5-6H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H22N3S.Cl4Zn/c2*1-5-21(6-2)14-8-10-16-18(12-14)22-17-11-13(20(3)4)7-9-15(17)19-16;1-5(2,3)4/h2*7-12H,5-6H2,1-4H3;/q2*+1;-2",C18H22N3S.1/2Cl4Zn,,,,,,INWWGXXJPABWPV-UHFFFAOYSA-J,,,,,,,,,,,
100.091.356,300-537-3,93941-88-9,Trimethyl[1-methyl-2-[(1-oxoallyl)oxy]ethyl]ammonium methyl sulphate,"1-(acryloyloxy)-N,N,N-trimethylpropan-2-aminium methyl sulfate",COS(=O)(=O)[O-].CC(COC(=O)C=C)[N+](C)(C)C,COS(=O)(=O)[O-].CC(COC(=O)C=C)[N+](C)(C)C,"InChI=1/C9H18NO2.CH4O4S/c1-6-9(11)12-7-8(2)10(3,4)5;1-5-6(2,3)4/h6,8H,1,7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1",C9H18NO2.CH3O4S,,,,,,MXUSWWKXIPNEQJ-UHFFFAOYSA-M,,,,,,,,,,,
100.091.366,300-548-3,93941-99-2,"5,8-diamino-9,10-dihydro-9,10-dioxo-6,7-bis(2-phenoxyethoxy)anthracenesulphonic acid","5,8-diamino-9,10-dioxo-6,7-bis(2-phenoxyethoxy)-9,10-dihydroanthracene-1-sulfonic acid",Nc1c(OCCOc2ccccc2)c(OCCOc3ccccc3)c(N)c4C(=O)c5c(cccc5S(=O)(=O)O)C(=O)c14,Nc1c(OCCOc2ccccc2)c(OCCOc3ccccc3)c(N)c4C(=O)c5c(cccc5S(=O)(=O)O)C(=O)c14,"InChI=1/C30H26N2O9S/c31-25-23-24(28(34)22-20(27(23)33)12-7-13-21(22)42(35,36)37)26(32)30(41-17-15-39-19-10-5-2-6-11-19)29(25)40-16-14-38-18-8-3-1-4-9-18/h1-13H,14-17,31-32H2,(H,35,36,37)",C30H26N2O9S,,,,,,YUTSNTYEOVRNGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.373,300-556-7,93942-07-5,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]palmitamide monoacetate,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]hexadecanamide acetate,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCN.CC(=O)O,"InChI=1/C22H48N4O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)26-21-20-25-19-18-24-17-16-23;1-2(3)4/h24-25H,2-21,23H2,1H3,(H,26,27);1H3,(H,3,4)",C22H48N4O.C2H4O2,,,,,,CGYQTAARNFFLST-UHFFFAOYSA-N,,,,,,,,,,,
100.087.567,296-367-1,92612-73-2,4-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate,1-isocyanato-4-[(2-isocyanatocyclohexyl)methyl]-2-methylbenzene,Cc1cc(CC2CCCCC2N=C=O)ccc1N=C=O,Cc1cc(CC2CCCCC2N=C=O)ccc1N=C=O,"InChI=1/C16H18N2O2/c1-12-8-13(6-7-15(12)17-10-19)9-14-4-2-3-5-16(14)18-11-20/h6-8,14,16H,2-5,9H2,1H3",C16H18N2O2,,,,,,YXGBOYICWSIVCG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.471,298-464-4,93804-86-5,"5-oxo-L-proline, compound with 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate (1:1)",5-oxo-L-proline - 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate (1:1),CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC.OC(=O)[C@@H]2CCC(=O)N2,CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C17H28N2O3.C5H7NO3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;7-4-2-1-3(6-4)5(8)9/h8-9,13H,4-7,10-12,18H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C17H28N2O3.C5H7NO3,,,,,,UJHZHKONPDUZGO-HVDRVSQOSA-N,,,,,,,,,,,
100.089.476,298-470-7,93804-91-2,"5-oxo-L-proline, compound with ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate (1:1)",5-oxo-L-proline - ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate (1:1),CCOC(=O)C1(CCN(CCC(O)c2ccccc2)CC1)c3ccccc3.OC(=O)[C@@H]4CCC(=O)N4,CCOC(=O)C1(CCN(CCC(O)c2ccccc2)CC1)c3ccccc3.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C23H29NO3.C5H7NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19;7-4-2-1-3(6-4)5(8)9/h3-12,21,25H,2,13-18H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)",C23H29NO3.C5H7NO3,,,,,,LZRKSBLMANVHTK-HVDRVSQOSA-N,,,,,,,,,,,
100.089.480,298-474-9,93804-95-6,(S)-2-deoxy-2-[[(5-oxo-2-pyrrolidinyl)carbonyl]amino]-D-glucose,2-deoxy-2-[(5-oxoprolyl)amino]-D-glucose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC(=O)C1CCC(=O)N1)C=O,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC(=O)C1CCC(=O)N1)C=O,"InChI=1/C11H18N2O7/c14-3-6(9(18)10(19)7(16)4-15)13-11(20)5-1-2-8(17)12-5/h3,5-7,9-10,15-16,18-19H,1-2,4H2,(H,12,17)(H,13,20)",C11H18N2O7,,,,,,YIMATNRWPCRPAU-XIVIHSRLSA-N,,,,,,,,,,,
100.089.485,298-480-1,93805-00-6,p-[[2-methoxy-4-[(2-methoxyphenyl)azo]-5-methylphenyl]azo]phenol,4-({2-methoxy-4-[(2-methoxyphenyl)diazenyl]-5-methylphenyl}diazenyl)phenol,COc3cc(N=Nc1ccccc1OC)c(C)cc3N=Nc2ccc(O)cc2,COc3cc(N=Nc1ccccc1OC)c(C)cc3N=Nc2ccc(O)cc2,"InChI=1/C21H20N4O3/c1-14-12-19(25-22-15-8-10-16(26)11-9-15)21(28-3)13-18(14)24-23-17-6-4-5-7-20(17)27-2/h4-13,26H,1-3H3",C21H20N4O3,,,,,,HCIDJVSSBKXSRX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.715,286-616-2,85283-88-1,"1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium methyl sulphate","1-ethyl-2-[1-(2-hydroxyethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl]benzo[cd]indolium methyl sulfate",CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.COS(=O)(=O)[O-],CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.COS(=O)(=O)[O-],"InChI=1/C27H31N2O.CH4O4S/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-5-6(2,3)4/h6-13,16,18,30H,5,14-15,17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C27H31N2O.CH3O4S,,,,,,KSFIHOSCNRHTLS-UHFFFAOYSA-M,,,,,,,,,,,
100.078.719,286-620-4,85283-93-8,"Bis[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium] sulphate","bis{9-ethyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-3H-carbazolium} sulfate",[O-]S([O-])(=O)=O.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\\C=2\\3)=CC=C5N(C)c4ccccc4C5(C)C.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\\C=2\\3)=CC=C5N(C)c4ccccc4C5(C)C,[O-]S([O-])(=O)=O.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C,"InChI=1/2C27H27N2.H2O4S/c2*1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4;1-5(2,3)4/h2*6-18H,5H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C27H27N2.1/2O4S,,,,,,RSWMCMBZUDHZRB-UHFFFAOYSA-L,,,,,,,,,,,
100.078.728,286-630-9,85284-11-3,Bis[2-(2-butoxyethoxy)ethyl] dodecanedioate,bis[2-(2-butoxyethoxy)ethyl] dodecanedioate,CCCCOCCOCCOC(=O)CCCCCCCCCCC(=O)OCCOCCOCCCC,CCCCOCCOCCOC(=O)CCCCCCCCCCC(=O)OCCOCCOCCCC,"InChI=1/C28H54O8/c1-3-5-17-31-19-21-33-23-25-35-27(29)15-13-11-9-7-8-10-12-14-16-28(30)36-26-24-34-22-20-32-18-6-4-2/h3-26H2,1-2H3",C28H54O8,,,,,,MNXUDVUBHYBLQH-UHFFFAOYSA-N,,,,,,,,,,,
100.078.729,286-631-4,85284-12-4,Bis[2-(2-butoxyethoxy)ethyl] undecanedioate,bis[2-(2-butoxyethoxy)ethyl] undecanedioate,CCCCOCCOCCOC(=O)CCCCCCCCCC(=O)OCCOCCOCCCC,CCCCOCCOCCOC(=O)CCCCCCCCCC(=O)OCCOCCOCCCC,"InChI=1/C27H52O8/c1-3-5-16-30-18-20-32-22-24-34-26(28)14-12-10-8-7-9-11-13-15-27(29)35-25-23-33-21-19-31-17-6-4-2/h3-25H2,1-2H3",C27H52O8,,,,,,PAVCUFXONGUODS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.735,286-638-2,85293-16-9,2-[2-(piperazin-1-yl)ethoxy]ethanol dihydrochloride,2-(2-piperazin-1-ylethoxy)ethanol dihydrochloride,Cl.Cl.OCCOCCN1CCNCC1,Cl.Cl.OCCOCCN1CCNCC1,"InChI=1/C8H18N2O2.2ClH/c11-6-8-12-7-5-10-3-1-9-2-4-10;;/h9,11H,1-8H2;2*1H",C8H18N2O2.2ClH,,,,,,JCYZKOJFYMJJTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.083.790,292-203-8,90568-80-2,Neodymium(3+) oleate,neodymium trioctadec-9-enoate,[Nd+3].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Nd+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O2.Nd/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H34O2.1/3Nd,,,,,,JWQGBDFFIMSRRH-GNOQXXQHSA-K,,,,,,,,,,,
100.094.034,303-483-9,94200-07-4,2-ethylheptyl isobutyrate,2-ethylheptyl 2-methylpropanoate,CCCCCC(CC)COC(=O)C(C)C,CCCCCC(CC)COC(=O)C(C)C,"InChI=1/C13H26O2/c1-5-7-8-9-12(6-2)10-15-13(14)11(3)4/h11-12H,5-10H2,1-4H3",C13H26O2,,,,,,WTUQRNIKYKFKCP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.035,303-484-4,94200-08-5,2-ethylheptyl propionate,2-ethylheptyl propionate,CCCCCC(CC)COC(=O)CC,CCCCCC(CC)COC(=O)CC,"InChI=1/C12H24O2/c1-4-7-8-9-11(5-2)10-14-12(13)6-3/h11H,4-10H2,1-3H3",C12H24O2,,,,,,WTLXVOXPXAHOIU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.036,303-486-5,94200-09-6,2-ethylhexyl 2-methylbutyrate,2-ethylhexyl 2-methylbutanoate,CCCCC(CC)COC(=O)C(C)CC,CCCCC(CC)COC(=O)C(C)CC,"InChI=1/C13H26O2/c1-5-8-9-12(7-3)10-15-13(14)11(4)6-2/h11-12H,5-10H2,1-4H3",C13H26O2,,,,,,CQIXPDMUKZPTPX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.043,303-493-3,94200-17-6,"Tetrasodium 3,3'-[(3,3'-diethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate]","tetrasodium 3,3'-[(3,3'-diethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulfonate]",[Na+].[Na+].[Na+].[Na+].CCOc4cc(ccc4N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c8ccc(N=Nc7c(cc6cc(cc(NC(=O)c5ccccc5)c6c7O)S([O-])(=O)=O)S([O-])(=O)=O)c(OCC)c8,[Na+].[Na+].[Na+].[Na+].CCOc4cc(ccc4N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c8ccc(N=Nc7c(cc6cc(cc(NC(=O)c5ccccc5)c6c7O)S([O-])(=O)=O)S([O-])(=O)=O)c(OCC)c8,"InChI=1/C50H40N6O18S4.4Na/c1-3-73-39-21-29(15-17-35(39)53-55-45-41(77(67,68)69)23-31-19-33(75(61,62)63)25-37(43(31)47(45)57)51-49(59)27-11-7-5-8-12-27)30-16-18-36(40(22-30)74-4-2)54-56-46-42(78(70,71)72)24-32-20-34(76(64,65)66)26-38(44(32)48(46)58)52-50(60)28-13-9-6-10-14-28;;;;/h5-26,57-58H,3-4H2,1-2H3,(H,51,59)(H,52,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4",C50H40N6O18S4.4Na,,,,,,JGYCHXDHLBXPGK-UHFFFAOYSA-J,,,,,,,,,,,
100.094.048,303-499-6,94200-24-5,"2-(2-butoxyethoxy)ethyl dihydrogen phosphate, compound with N,N-dimethylcyclohexylamine","2-(2-butoxyethoxy)ethyl dihydrogen phosphate - N,N-dimethylcyclohexanamine (1:1)",CN(C)C1CCCCC1.OP(=O)(O)OCCOCCOCCCC,CN(C)C1CCCCC1.OP(=O)(O)OCCOCCOCCCC,"InChI=1/C8H17N.C8H19O6P/c1-9(2)8-6-4-3-5-7-8;1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h8H,3-7H2,1-2H3;2-8H2,1H3,(H2,9,10,11)",C8H19O6P.xC8H17N,,,,,,DTWUYNWNLHNNME-UHFFFAOYSA-N,,,,,,,,,,,
100.078.696,286-596-5,85283-67-6,Diethyl(2-hydroxyethyl)ammonium 2-(lactoyloxy)propionate,"N,N-diethyl-2-hydroxyethanaminium 2-(lactoyloxy)propanoate",CC[NH+](CC)CCO.CC(O)C(=O)OC(C)C(=O)[O-],CC[NH+](CC)CCO.CC(O)C(=O)OC(C)C(=O)[O-],"InChI=1/C6H15NO.C6H10O5/c1-3-7(4-2)5-6-8;1-3(7)6(10)11-4(2)5(8)9/h8H,3-6H2,1-2H3;3-4,7H,1-2H3,(H,8,9)",C6H15NO.C6H10O5,,,,,,WWKNAEKQZAKHLE-UHFFFAOYSA-N,,,,,,,,,,,
100.078.702,286-602-6,85283-75-6,"[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium acetate","2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium acetate",[O-]C(C)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,[O-]C(C)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,"InChI=1/C22H29N6S.C2H4O2/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-2(3)4/h7-13,16H,6,14-15H2,1-5H3;1H3,(H,3,4)/q+1;/p-1",C22H29N6S.C2H3O2,,,,,,WBUGQSGOTQQYPI-UHFFFAOYSA-M,,,,,,,,,,,
100.078.711,286-612-0,85283-84-7,"1-amino-4-[4-[(dimethylamino)methyl]anilino]anthraquinone, compound with sulphuric acid (2:1)","1-amino-4-({4-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone sulfate (2:1)",CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1.CN(C)Cc5ccc(Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67)cc5.OS(=O)(=O)O,CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1.CN(C)Cc5ccc(Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67)cc5.OS(=O)(=O)O,"InChI=1/2C23H21N3O2.H2O4S/c2*1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27;1-5(2,3)4/h2*3-12,25H,13,24H2,1-2H3;(H2,1,2,3,4)",C23H21N3O2.1/2H2O4S,,,,,,VBASRSDMNSHXCO-UHFFFAOYSA-N,,,,,,,,,,,
100.083.960,292-390-6,90604-93-6,"D-Glucitol, tetradecanoate","1,2,3,4-tetra-O-decanoyl-D-glucitol",CCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCC)[C@@H](OC(=O)CCCCCCCCC)[C@H](OC(=O)CCCCCCCCC)[C@H](O)CO,CCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCC)[C@@H](OC(=O)CCCCCCCCC)[C@H](OC(=O)CCCCCCCCC)[C@H](O)CO,"InChI=1/C46H86O10/c1-5-9-13-17-21-25-29-33-41(49)53-38-40(54-42(50)34-30-26-22-18-14-10-6-2)46(56-44(52)36-32-28-24-20-16-12-8-4)45(39(48)37-47)55-43(51)35-31-27-23-19-15-11-7-3/h39-40,45-48H,5-38H2,1-4H3",-,,,,,,QJIFHLVLDZWQJJ-YPZHDCAASA-N,,,,,,,,,,,
100.083.978,292-410-3,90605-12-2,"Phosphoric acid, 2-methylpropyl ester, ammonium salt",ammonium isobutyl hydrogen phosphate,[NH4+].CC(C)COP(=O)(O)[O-],[NH4+].CC(C)COP(=O)(O)[O-],"InChI=1/C4H11O4P.H3N/c1-4(2)3-8-9(5,6)7;/h4H,3H2,1-2H3,(H2,5,6,7);1H3",-,,,,,,WGQZFFSTUCPLGV-UHFFFAOYSA-N,,,,,,,,,,,
100.083.979,292-411-9,90605-13-3,"Phosphoric acid, 2-methylpropyl ester, potassium salt",potassium isobutyl hydrogen phosphate,[K+].CC(C)COP(=O)(O)[O-],[K+].CC(C)COP(=O)(O)[O-],"InChI=1/C4H11O4P.K/c1-4(2)3-8-9(5,6)7;/h4H,3H2,1-2H3,(H2,5,6,7);/q;+1/p-1",-,,,,,,PSQQYFQDKGTOQF-UHFFFAOYSA-M,,,,,,,,,,,
100.083.980,292-412-4,90605-14-4,"Phosphoric acid, 2-methylpropyl ester, sodium salt",sodium isobutyl hydrogen phosphate,[Na+].CC(C)COP(=O)(O)[O-],[Na+].CC(C)COP(=O)(O)[O-],"InChI=1/C4H11O4P.Na/c1-4(2)3-8-9(5,6)7;/h4H,3H2,1-2H3,(H2,5,6,7);/q;+1/p-1",-,,,,,,PVLJSWJOIKFTRS-UHFFFAOYSA-M,,,,,,,,,,,
100.078.717,286-618-3,85283-91-6,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium sulphate (2:1),bis{6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenzo[cd]indolium} sulfate,CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.CCN(CC)c5ccc(cc5)C6=[N+](CC)c7ccc(Br)c8cccc6c78.[O-]S(=O)(=O)[O-],CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.CCN(CC)c5ccc(cc5)C6=[N+](CC)c7ccc(Br)c8cccc6c78.[O-]S(=O)(=O)[O-],"InChI=1/2C23H24BrN2.H2O4S/c2*1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-5(2,3)4/h2*7-15H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C23H24BrN2.1/2O4S,,,,,,UDBRTIHODIYRRP-UHFFFAOYSA-L,,,,,,,,,,,
100.078.727,286-629-3,85284-01-1,"1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium sulphate (2:1)","bis{1-ethyl-2-[1-(2-hydroxyethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl]benzo[cd]indolium} sulfate",CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.CC[N+]6=C(c7ccc8N(CCO)C(C)(C)CC(C)c8c7)c9cccc%10cccc6c9%10.[O-]S(=O)(=O)[O-],CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.CC[N+]6=C(c7ccc8N(CCO)C(C)(C)CC(C)c8c7)c9cccc%10cccc6c9%10.[O-]S(=O)(=O)[O-],"InChI=1/2C27H31N2O.H2O4S/c2*1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-5(2,3)4/h2*6-13,16,18,30H,5,14-15,17H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C27H31N2O.1/2O4S,,,,,,RSPKMDCFCRLHGY-UHFFFAOYSA-L,,,,,,,,,,,
100.078.733,286-636-1,85284-17-9,"Sodium 4-[[3,3,3-trifluoro-1-(pentafluoroethyl)-2-(trifluoromethyl)prop-1-enyl]oxy]benzenesulphonate","sodium 4-{[3,3,3-trifluoro-1-(pentafluoroethyl)-2-(trifluoromethyl)prop-1-en-1-yl]oxy}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc1,[Na+].[O-]S(=O)(=O)c1ccc(OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc1,"InChI=1/C12H5F11O4S.Na/c13-9(14,12(21,22)23)8(7(10(15,16)17)11(18,19)20)27-5-1-3-6(4-2-5)28(24,25)26;/h1-4H,(H,24,25,26);/q;+1/p-1",C12H5F11O4S.Na,,,,,,VLOGHPGPUCKSEA-UHFFFAOYSA-M,,,,,,,,,,,
100.078.737,286-640-3,85293-44-3,[2-[(furan-2-ylmethyl)thio]ethyl]guanidinium sulphate (2:1),bis{N-carbamimidoyl-2-[(2-furylmethyl)sulfanyl]ethanaminium} sulfate,NC(=N)[NH2+]CCSCc1occc1.NC(=N)[NH2+]CCSCc2occc2.[O-]S(=O)(=O)[O-],NC(=N)[NH2+]CCSCc1occc1.NC(=N)[NH2+]CCSCc2occc2.[O-]S(=O)(=O)[O-],"InChI=1/2C8H13N3OS.H2O4S/c2*9-8(10)11-3-5-13-6-7-2-1-4-12-7;1-5(2,3)4/h2*1-2,4H,3,5-6H2,(H4,9,10,11);(H2,1,2,3,4)",C8H13N3OS.1/2H2O4S,,,,,,HTLHWSLHGPNYHS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.895,289-016-9,85959-25-7,"7-[[2,4-dihydroxy-5-[[4-[(4-sulphophenyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid","7-{[2,4-dihydroxy-5-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonic acid",Oc3cc(O)c(cc3N=Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2)N=Nc4cc5cc(cc(O)c5cc4)S(O)(=O)=O,Oc3cc(O)c(cc3N=Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2)N=Nc4cc5cc(cc(O)c5cc4)S(O)(=O)=O,"InChI=1/C28H20N6O9S2/c35-26-13-22(45(41,42)43)12-16-11-20(7-10-23(16)26)32-34-25-14-24(27(36)15-28(25)37)33-31-18-3-1-17(2-4-18)29-30-19-5-8-21(9-6-19)44(38,39)40/h1-15,35-37H,(H,38,39,40)(H,41,42,43)",C28H20N6O9S2,,,,,,CPEFPWUAGFRQJC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.897,289-019-5,85959-27-9,"Disodium 2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate","disodium 2-({4-[(2-amino-4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-nitrophenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonate",[Na+].[Na+].[O-][N+](=O)c5ccc(Nc1ccc(cc1)N=Nc2cc([N+]([O-])=O)c(cc2N)N=NC4C(\\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(c5)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c5ccc(Nc1ccc(cc1)N=Nc2cc([N+]([O-])=O)c(cc2N)N=NC4C(\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(c5)S([O-])(=O)=O,"InChI=1/C28H22N10O11S2.2Na/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49;;/h2-14,27,30H,29H2,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C28H22N10O11S2.2Na,,,,,,AAALRSYHMIVUCC-UHFFFAOYSA-L,,,,,,,,,,,
100.080.906,289-028-4,85959-36-0,"N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-carboxamide","2-{[3-({3-[(2,5-dimethoxyphenyl)carbamoyl]-2-hydroxy-1-naphthyl}diazenyl)-4-methoxyphenyl]sulfonyl}ethyl propionate",COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(OC)ccc1OC)c2O)S(=O)(=O)CCOC(=O)CC,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1cc(OC)ccc1OC)c2O)S(=O)(=O)CCOC(=O)CC,"InChI=1/C31H31N3O9S/c1-5-28(35)43-14-15-44(38,39)21-11-13-27(42-4)25(18-21)33-34-29-22-9-7-6-8-19(22)16-23(30(29)36)31(37)32-24-17-20(40-2)10-12-26(24)41-3/h6-13,16-18,36H,5,14-15H2,1-4H3,(H,32,37)",C31H31N3O9S,,,,,,RUCHFDRICGABHM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.907,289-030-5,85959-37-1,"4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-2,2'-disulphonic acid","6-[(2,4-diaminophenyl)diazenyl]-4-hydroxy-3-({4'-[(4-hydroxyphenyl)diazenyl]-2,2'-disulfobiphenyl-4-yl}diazenyl)naphthalene-2-sulfonate",Oc6ccc(N=Nc5ccc(c4ccc(N=Nc3c(cc2ccc(N=Nc1ccc(N)cc1N)cc2c3O)S([O-])(=O)=O)cc4S(O)(=O)=O)c(c5)S(O)(=O)=O)cc6,Oc6ccc(N=Nc5ccc(c4ccc(N=Nc3c(cc2ccc(N=Nc1ccc(N)cc1N)cc2c3O)S([O-])(=O)=O)cc4S(O)(=O)=O)c(c5)S(O)(=O)=O)cc6,"InChI=1/C34H26N8O11S3/c35-19-2-12-29(28(36)14-19)41-39-21-3-1-18-13-32(56(51,52)53)33(34(44)27(18)15-21)42-40-23-7-11-26(31(17-23)55(48,49)50)25-10-6-22(16-30(25)54(45,46)47)38-37-20-4-8-24(43)9-5-20/h1-17,43-44H,35-36H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)/p-1",C34H26N8O11S3,,,,,,TURGKCHMSTYYNV-UHFFFAOYSA-M,,,,,,,,,,,
100.080.913,289-036-8,85959-43-9,Barium bis(5-oxo-DL-prolinate),barium bis(5-oxopyrrolidine-2-carboxylate),[Ba+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[Ba+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.Ba/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2",C5H7NO3.1/2Ba,,,,,,WHSQXGSLLYMUIG-QHTZZOMLSA-L,,,,,,,,,,,
100.080.914,289-037-3,85959-44-0,Barium bis(5-oxo-L-prolinate),barium bis(5-oxopyrrolidine-2-carboxylate),[Ba+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[Ba+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.Ba/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2",C5H7NO3.1/2Ba,,,,,,WHSQXGSLLYMUIG-QHTZZOMLSA-L,,,,,,,,,,,
100.079.180,287-128-2,85409-58-1,"2-[[1-[3-[[(2-carboxyphenyl)amino]sulphonyl]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4-yl]azo]benzoic acid","2-{[(3-{4-[(2-carboxyphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]amino}benzoic acid",OC(=O)c4ccccc4NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccccc2C(O)=O)C3=O,OC(=O)c4ccccc4NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccccc2C(O)=O)C3=O,"InChI=1/C24H19N5O7S/c1-14-21(26-25-19-11-4-2-9-17(19)23(31)32)22(30)29(27-14)15-7-6-8-16(13-15)37(35,36)28-20-12-5-3-10-18(20)24(33)34/h2-13,21,28H,1H3,(H,31,32)(H,33,34)",C24H19N5O7S,,,,,,QVNXSUKYKYKENR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.183,287-131-9,85409-61-6,"2,4-dihydro-2-[5-[(2-hydroxyethyl)sulphonyl]-2-methoxyphenyl]-5-methyl-3H-pyrazol-3-one","2-{5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one",COc1ccc(cc1N2N=C(C)CC2=O)S(=O)(=O)CCO,COc1ccc(cc1N2N=C(C)CC2=O)S(=O)(=O)CCO,"InChI=1/C13H16N2O5S/c1-9-7-13(17)15(14-9)11-8-10(3-4-12(11)20-2)21(18,19)6-5-16/h3-4,8,16H,5-7H2,1-2H3",C13H16N2O5S,,,,,,RXRCCQQVBOVNFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.184,287-132-4,85409-62-7,"4-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid","2,5-dichloro-4-(4-{[5-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O)c(cc5)S(O)(=O)=O,OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O)c(cc5)S(O)(=O)=O,"InChI=1/C25H18Cl3N9O10S3/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(5-6-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-3-2-4-14(7-12)48(39,40)41/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33)",C25H18Cl3N9O10S3,,,,,,CBYJYUPPRYTYSA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.486,298-481-7,93805-01-7,"Sodium 2-[[1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate","sodium 2-{[1-(2-ethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoate",[Na+].[O-]C(=O)c3ccccc3N=NC2C(\\C)=N/N(c1ccccc1CC)C2=O,[Na+].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccccc1CC)C2=O,"InChI=1/C19H18N4O3.Na/c1-3-13-8-4-7-11-16(13)23-18(24)17(12(2)22-23)21-20-15-10-6-5-9-14(15)19(25)26;/h4-11,17H,3H2,1-2H3,(H,25,26);/q;+1/p-1",C19H18N4O3.Na,,,,,,SJACULLOQZUZJS-UHFFFAOYSA-M,,,,,,,,,,,
100.089.495,298-491-1,93805-10-8,Bis(1H-benzotriazol-5-amine) sulphate,1H-benzotriazol-5-amine sulfate (2:1),Nc1ccc2[nH]nnc2c1.Nc3ccc4nn[nH]c4c3.OS(=O)(=O)O,Nc1ccc2[nH]nnc2c1.Nc3ccc4nn[nH]c4c3.OS(=O)(=O)O,"InChI=1/2C6H6N4.H2O4S/c2*7-4-1-2-5-6(3-4)9-10-8-5;1-5(2,3)4/h2*1-3H,7H2,(H,8,9,10);(H2,1,2,3,4)",C6H6N4.1/2H2O4S,,,,,,PDDIHYLVRYFMIM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.498,298-494-8,93805-13-1,"N,N'-bis(2,4-dinitrophenyl)benzene-1,4-diamine","N,N'-bis(2,4-dinitrophenyl)benzene-1,4-diamine",[O-][N+](=O)c1ccc(Nc2ccc(Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)c(c1)[N+](=O)[O-],[O-][N+](=O)c1ccc(Nc2ccc(Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)c(c1)[N+](=O)[O-],"InChI=1/C18H12N6O8/c25-21(26)13-5-7-15(17(9-13)23(29)30)19-11-1-2-12(4-3-11)20-16-8-6-14(22(27)28)10-18(16)24(31)32/h1-10,19-20H",C18H12N6O8,,,,,,NSEVVJIYKQUECO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.416,302-805-5,94134-37-9,"Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulphonate",sodium 4-methoxy-3-{[3-(3-nitrophenyl)-3-oxopropanoyl]amino}benzenesulfonate,[Na+].COc1ccc(cc1NC(=O)CC(=O)c2cccc(c2)[N+](=O)[O-])S(=O)(=O)[O-],[Na+].COc1ccc(cc1NC(=O)CC(=O)c2cccc(c2)[N+](=O)[O-])S(=O)(=O)[O-],"InChI=1/C16H14N2O8S.Na/c1-26-15-6-5-12(27(23,24)25)8-13(15)17-16(20)9-14(19)10-3-2-4-11(7-10)18(21)22;/h2-8H,9H2,1H3,(H,17,20)(H,23,24,25);/q;+1/p-1",C16H14N2O8S.Na,,,,,,LMKXLWOKWIILGQ-UHFFFAOYSA-M,,,,,,,,,,,
100.093.418,302-807-6,94134-39-1,"1-[(3,7-dimethyl-2,6-octadienyl)oxy]-3-phenylpropane-1,2-diol","1-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-3-phenylpropane-1,2-diol",OC(Cc1ccccc1)C(O)OCC=C(C)CC\\C=C(/C)C,OC(Cc1ccccc1)C(O)OCC=C(C)CC\C=C(/C)C,"InChI=1/C19H28O3/c1-15(2)8-7-9-16(3)12-13-22-19(21)18(20)14-17-10-5-4-6-11-17/h4-6,8,10-12,18-21H,7,9,13-14H2,1-3H3",C19H28O3,,,,,,UMLPGGUXQFSKHT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.420,302-809-7,94134-41-5,1-methyl-2-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]-2-oxoethyl lactate,1-methyl-2-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]-2-oxoethyl 2-hydroxypropanoate,CC(O)C(=O)OC(C)C(=O)OC1=C(C)OC=CC1=O,CC(O)C(=O)OC(C)C(=O)OC1=C(C)OC=CC1=O,"InChI=1/C12H14O7/c1-6(13)11(15)18-8(3)12(16)19-10-7(2)17-5-4-9(10)14/h4-6,8,13H,1-3H3",C12H14O7,,,,,,FMQDULZFGYZECU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.427,302-817-0,94134-48-2,Methyl 3-(chlorocarbonyl)thiazolidine-4-carboxylate,"methyl 3-(chlorocarbonyl)-1,3-thiazolidine-4-carboxylate",COC(=O)C1CSCN1C(=O)Cl,COC(=O)C1CSCN1C(=O)Cl,"InChI=1/C6H8ClNO3S/c1-11-5(9)4-2-12-3-8(4)6(7)10/h4H,2-3H2,1H3",C6H8ClNO3S,,,,,,CORDKGQLHLMDGC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.428,302-818-6,94134-49-3,2-hydroxyhexyl dihydrogen phosphate,2-hydroxyhexyl dihydrogen phosphate,CCCCC(O)COP(=O)(O)O,CCCCC(O)COP(=O)(O)O,"InChI=1/C6H15O5P/c1-2-3-4-6(7)5-11-12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)",C6H15O5P,,,,,,SXDJZSWZEVDTKV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.250,301-521-9,94022-26-1,"2,5-dimethoxy[1,1'-biphenyl]-4-amine","2,5-dimethoxybiphenyl-4-amine",COc1cc(c(OC)cc1N)c2ccccc2,COc1cc(c(OC)cc1N)c2ccccc2,"InChI=1/C14H15NO2/c1-16-13-9-12(15)14(17-2)8-11(13)10-6-4-3-5-7-10/h3-9H,15H2,1-2H3",C14H15NO2,,,,,,ZCUNPZLHSGUNOI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.252,301-524-5,94022-28-3,6-methyl-2-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]benzothiazolesulphonic acid,"6-methyl-2-(4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}phenyl)-2,3-dihydro-1,3-benzothiazole-2-sulfonic acid",CC(=O)C(N=Nc1ccc(cc1)C2(Nc3ccc(C)cc3S2)S(O)(=O)=O)C(=O)Nc4ccccc4,CC(=O)C(N=Nc1ccc(cc1)C2(Nc3ccc(C)cc3S2)S(O)(=O)=O)C(=O)Nc4ccccc4,"InChI=1/C24H22N4O5S2/c1-15-8-13-20-21(14-15)34-24(26-20,35(31,32)33)17-9-11-19(12-10-17)27-28-22(16(2)29)23(30)25-18-6-4-3-5-7-18/h3-14,22,26H,1-2H3,(H,25,30)(H,31,32,33)",C24H20N4O5S2,,,,,,CREIBZAGQFNQDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.253,301-525-0,94022-29-4,Sodium 6-methyl-2-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]benzothiazolesulphonate,"sodium 6-methyl-2-(4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}phenyl)-2,3-dihydro-1,3-benzothiazole-2-sulfonate",[Na+].CC(=O)C(N=Nc1ccc(cc1)C2(Nc3ccc(C)cc3S2)S([O-])(=O)=O)C(=O)Nc4ccccc4,[Na+].CC(=O)C(N=Nc1ccc(cc1)C2(Nc3ccc(C)cc3S2)S([O-])(=O)=O)C(=O)Nc4ccccc4,"InChI=1/C24H22N4O5S2.Na/c1-15-8-13-20-21(14-15)34-24(26-20,35(31,32)33)17-9-11-19(12-10-17)27-28-22(16(2)29)23(30)25-18-6-4-3-5-7-18;/h3-14,22,26H,1-2H3,(H,25,30)(H,31,32,33);/q;+1/p-1",C24H20N4O5S2.Na,,,,,,STQVRYQIEOEIRM-UHFFFAOYSA-M,,,,,,,,,,,
100.092.254,301-526-6,94022-30-7,2-[3-(2-chlorophenyl)propyl]pyridine,2-[3-(2-chlorophenyl)propyl]pyridine,Clc1ccccc1CCCc2ccccn2,Clc1ccccc1CCCc2ccccn2,"InChI=1/C14H14ClN/c15-14-10-2-1-6-12(14)7-5-9-13-8-3-4-11-16-13/h1-4,6,8,10-11H,5,7,9H2",C14H14ClN,,,,,,JCXMZCZNFXDTRS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.050,303-502-0,94200-26-7,"Cyclohex-4-ene-1,2-dicarboxylic acid, compound with N,N-dimethylcyclohexylamine","cyclohex-4-ene-1,2-dicarboxylic acid - N,N-dimethylcyclohexanamine (1:1)",CN(C)C1CCCCC1.OC(=O)C2CC=CCC2C(=O)O,CN(C)C1CCCCC1.OC(=O)C2CC=CCC2C(=O)O,"InChI=1/C8H17N.C8H10O4/c1-9(2)8-6-4-3-5-7-8;9-7(10)5-3-1-2-4-6(5)8(11)12/h8H,3-7H2,1-2H3;1-2,5-6H,3-4H2,(H,9,10)(H,11,12)",C8H17N.xC8H10O4,,,,,,SDJXJPLELYVZRA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.057,303-509-9,94200-33-6,"Sodium (1,4-dioxo-2-sulphonatobutane-1,4-diyl)bis(iminoethylene) distearate",-,[Na+].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]S(=O)(=O)C(CC(=O)C=C=N)C(=O)C=C=N,[Na+].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]S(=O)(=O)C(CC(=O)C=C=N)C(=O)C=C=N,"InChI=1/2C18H36O2.C8H8N2O5S.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-3-1-6(11)5-8(16(13,14)15)7(12)2-4-10;/h2*2-17H2,1H3,(H,19,20);1-2,8-10H,5H2,(H,13,14,15);/q;;;+1/p-3",C44H84N2O9S.Na,,,,,,QRSCFMBKMMAHGJ-UHFFFAOYSA-K,,,,,,,,,,,
100.094.059,303-512-5,94200-35-8,"Trisodium 2-[4-[[4-[[4-[(4-amino-2-methylphenyl)azo]benzoyl]amino]-3-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonate","trisodium 2-(4-{[4-({4-[(4-amino-2-methylphenyl)diazenyl]benzoyl}amino)-3-sulfonatophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2S([O-])(=O)=O)N=NC4C(\\C)=N/N(c3cc(ccc3S([O-])(=O)=O)S([O-])(=O)=O)C4=O)c(C)c5,[Na+].[Na+].[Na+].Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2S([O-])(=O)=O)N=NC4C(\C)=N/N(c3cc(ccc3S([O-])(=O)=O)S([O-])(=O)=O)C4=O)c(C)c5,"InChI=1/C30H26N8O11S3.3Na/c1-16-13-19(31)5-10-23(16)35-33-20-6-3-18(4-7-20)29(39)32-24-11-8-21(14-27(24)52(47,48)49)34-36-28-17(2)37-38(30(28)40)25-15-22(50(41,42)43)9-12-26(25)51(44,45)46;;;/h3-15,28H,31H2,1-2H3,(H,32,39)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",C30H26N8O11S3.3Na,,,,,,WTRLNQIMJZIVJI-UHFFFAOYSA-K,,,,,,,,,,,
100.094.069,303-523-5,94200-45-0,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H8F17O5P.2H3N/c12-4(13,1-3(29)2-33-34(30,31)32)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;;/h3,29H,1-2H2,(H2,30,31,32);2*1H3",C11H8F17O5P.2H3N,,,,,,AQEVYDYZRHDMFO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.028,304-577-2,94276-90-1,"[4-[(o-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium trichlorozincate(1-)","N-{4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]cyclohexa-2,5-dien-1-ylidene}-N-ethylethanaminium trichlorozincate(1-)",CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC.Cl[Zn-](Cl)Cl,CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC.Cl[Zn-](Cl)Cl,"InChI=1/C32H30ClN2.3ClH.Zn/c1-4-35(5-2)25-21-19-23(20-22-25)30(26-15-9-11-17-28(26)33)31-27-16-10-12-18-29(27)34(3)32(31)24-13-7-6-8-14-24;;;;/h6-22H,4-5H2,1-3H3;3*1H;/q+1;;;;+2/p-3/rC32H30ClN2.Cl3Zn/c1-4-35(5-2)25-21-19-23(20-22-25)30(26-15-9-11-17-28(26)33)31-27-16-10-12-18-29(27)34(3)32(31)24-13-7-6-8-14-24;1-4(2)3/h6-22H,4-5H2,1-3H3;/q+1;-1",C32H30ClN2.Cl3Zn,,,,,,VTJADDNTFFSOLY-UHFFFAOYSA-K,,,,,,,,,,,
100.095.037,304-587-7,94277-02-8,"2,7-dimethyloctyl butyrate","2,7-dimethyloctyl butyrate",CCCC(=O)OCC(C)CCCCC(C)C,CCCC(=O)OCC(C)CCCCC(C)C,"InChI=1/C14H28O2/c1-5-8-14(15)16-11-13(4)10-7-6-9-12(2)3/h12-13H,5-11H2,1-4H3",C14H28O2,,,,,,IACQBEPHJZDBPN-UHFFFAOYSA-N,,,,,,,,,,,
100.096.829,306-563-1,97334-71-9,"D-Gluconic acid, 2-C-(hydroxymethyl)-, calcium salt (2:1)",-,[Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@](O)(CO)C(=O)[O-],[Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@](O)(CO)C(=O)[O-],"InChI=1/C7H14O8.Ca/c8-1-3(10)4(11)5(12)7(15,2-9)6(13)14;/h3-5,8-12,15H,1-2H2,(H,13,14);/q;+2/p-1",C7H14O8.1/2Ca,,,,,,USYNUWAETXJOIX-ICOSZFDUSA-M,,,,,,,,,,,
100.096.832,306-566-8,97334-74-2,Bis(2-hydroxyethyl)ammonium dimethylheptanoate,"2-hydroxy-N-(2-hydroxyethyl)ethanaminium 2,2-dimethylheptanoate",CCCCCC(C)(C)C(=O)[O-].OCC[NH2+]CCO,CCCCCC(C)(C)C(=O)[O-].OCC[NH2+]CCO,"InChI=1/C9H18O2.C4H11NO2/c1-4-5-6-7-9(2,3)8(10)11;6-3-1-5-2-4-7/h4-7H2,1-3H3,(H,10,11);5-7H,1-4H2",C9H18O2.C4H11NO2,,,,,,CTUKSWRPOXUNEL-UHFFFAOYSA-N,,,,,,,,,,,
100.096.833,306-567-3,97334-75-3,(2-hydroxyethyl)ammonium dimethylheptanoate,"2-hydroxyethanaminium 2,2-dimethylheptanoate",CCCCCC(C)(C)C(=O)[O-].[NH3+]CCO,CCCCCC(C)(C)C(=O)[O-].[NH3+]CCO,"InChI=1/C9H18O2.C2H7NO/c1-4-5-6-7-9(2,3)8(10)11;3-1-2-4/h4-7H2,1-3H3,(H,10,11);4H,1-3H2",C9H18O2.C2H7NO,,,,,,BXKDTIZRQSLMJM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.072,303-526-1,94200-48-3,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxyheptadecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxyheptadecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C17H8F29O5P.2H3N/c18-4(19,1-3(47)2-51-52(48,49)50)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)16(42,43)17(44,45)46;;/h3,47H,1-2H2,(H2,48,49,50);2*1H3",C17H8F29O5P.2H3N,,,,,,ABXFOTMKHPEYQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.078.738,286-641-9,85294-28-6,"5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium methyl sulphate","5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium methyl sulfate",COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\\C=C\\c3c(c4ccccc4)n(C)c5ccccc35.COS(=O)(=O)[O-],COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.COS(=O)(=O)[O-],"InChI=1/C29H29N2O.CH4O4S/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5-6(2,3)4/h6-19H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",C29H29N2O.CH3O4S,,,,,,GGTWTLWITILSJS-UHFFFAOYSA-M,,,,,,,,,,,
100.078.748,286-652-9,85305-12-0,"7-[[4,6-bis[4-(2-aminoethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-2-sulphonic acid hydrochloride","7-({4,6-bis[4-(2-aminoethyl)piperazin-1-yl]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-2-sulfonic acid hydrochloride",Cl.NCCN1CCN(CC1)c6nc(Nc4cc5cc(c(N=Nc3ccc(N=Nc2ccccc2)cc3)c(O)c5cc4)S(O)(=O)=O)nc(n6)N7CCN(CCN)CC7,Cl.NCCN1CCN(CC1)c6nc(Nc4cc5cc(c(N=Nc3ccc(N=Nc2ccccc2)cc3)c(O)c5cc4)S(O)(=O)=O)nc(n6)N7CCN(CCN)CC7,"InChI=1/C37H44N14O4S.ClH/c38-12-14-48-16-20-50(21-17-48)36-41-35(42-37(43-36)51-22-18-49(15-13-39)19-23-51)40-30-10-11-31-26(24-30)25-32(56(53,54)55)33(34(31)52)47-46-29-8-6-28(7-9-29)45-44-27-4-2-1-3-5-27;/h1-11,24-25,52H,12-23,38-39H2,(H,53,54,55)(H,40,41,42,43);1H",C37H44N14O4S.xClH,,,,,,NMUDNLQHEWLJAH-UHFFFAOYSA-N,,,,,,,,,,,
100.083.789,292-202-2,90567-58-1,Sucrose heptastearate,"1,3,4,6-tetra-O-stearoyl-beta-D-fructofuranosyl 2,3,4-tri-O-stearoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C138H260O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-92-99-106-113-125(140)147-121-124-133(151-128(143)116-109-102-95-88-81-74-67-60-53-46-39-32-25-18-11-4)136(154-131(146)119-112-105-98-91-84-77-70-63-56-49-42-35-28-21-14-7)138(155-124,122-148-126(141)114-107-100-93-86-79-72-65-58-51-44-37-30-23-16-9-2)156-137-135(153-130(145)118-111-104-97-90-83-76-69-62-55-48-41-34-27-20-13-6)134(152-129(144)117-110-103-96-89-82-75-68-61-54-47-40-33-26-19-12-5)132(123(120-139)149-137)150-127(142)115-108-101-94-87-80-73-66-59-52-45-38-31-24-17-10-3/h123-124,132-137,139H,8-122H2,1-7H3",C138H260O18,,,,,,WKTGPVRCJVGUCH-MYELPBIZSA-N,,,,,,,,,,,
100.094.040,303-490-7,94200-13-2,3-cyclohexylpropyl butyrate,3-cyclohexylpropyl butyrate,CCCC(=O)OCCCC1CCCCC1,CCCC(=O)OCCCC1CCCCC1,"InChI=1/C13H24O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h12H,2-11H2,1H3",C13H24O2,,,,,,VHCFMFPGCLEABB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.044,303-494-9,94200-19-8,"1-ethyl-2-[4-(4-nitrophenyl)buta-1,3-dienyl]quinolinium ethanesulphonate","1-ethyl-2-[4-(4-nitrophenyl)buta-1,3-dien-1-yl]quinolinium ethanesulfonate",[O-]S(=O)(=O)CC.[O-][N+](=O)c1ccc(cc1)C=CC=Cc3ccc2ccccc2[n+]3CC,[O-]S(=O)(=O)CC.[O-][N+](=O)c1ccc(cc1)C=CC=Cc3ccc2ccccc2[n+]3CC,"InChI=1/C21H19N2O2.C2H6O3S/c1-2-22-19(16-13-18-8-4-6-10-21(18)22)9-5-3-7-17-11-14-20(15-12-17)23(24)25;1-2-6(3,4)5/h3-16H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C21H19N2O2.C2H5O3S,,,,,,SXDIIWZYPMEROH-UHFFFAOYSA-M,,,,,,,,,,,
100.094.047,303-498-0,94200-22-3,"N,N''-[[(2-hydroxyethyl)imino]bis(methylene)]diurea","N,N''-{[(2-hydroxyethyl)imino]bis(methylene)}diurea",NC(=O)NCN(CCO)CNC(=O)N,NC(=O)NCN(CCO)CNC(=O)N,"InChI=1/C6H15N5O3/c7-5(13)9-3-11(1-2-12)4-10-6(8)14/h12H,1-4H2,(H3,7,9,13)(H3,8,10,14)",C6H15N5O3,,,,,,WCDVOSURBFFULK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.052,303-504-1,94200-28-9,"ß,d,2,2,3-pentamethylcyclopent-3-ene-1-hexanol","2,4-dimethyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-1-ol",CC(CO)CC(C)CCC1CC=C(C)C1(C)C,CC(CO)CC(C)CCC1CC=C(C)C1(C)C,"InChI=1/C16H30O/c1-12(10-13(2)11-17)6-8-15-9-7-14(3)16(15,4)5/h7,12-13,15,17H,6,8-11H2,1-5H3",C16H30O,,,,,,OEEATFVPGMIOBV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.060,303-513-0,94200-36-9,"Disodium 4,4'-bis[[4-[(2-hydroxyethyl)methylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","disodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)(methyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)benzenesulfonate]",[Na+].[Na+].COc1nc(Nc2ccc(\\C=C\\c3ccc(Nc4nc(OC)nc(n4)N(C)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(C)CCO,[Na+].[Na+].COc1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(OC)nc(n4)N(C)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(C)CCO,"InChI=1/C28H34N10O10S2.2Na/c1-37(11-13-39)25-31-23(33-27(35-25)47-3)29-19-9-7-17(21(15-19)49(41,42)43)5-6-18-8-10-20(16-22(18)50(44,45)46)30-24-32-26(38(2)12-14-40)36-28(34-24)48-4;;/h5-10,15-16,39-40H,11-14H2,1-4H3,(H,41,42,43)(H,44,45,46)(H,29,31,33,35)(H,30,32,34,36);;/q;2*+1/p-2",C28H34N10O10S2.2Na,,,,,,UERRNNFSBIYFBY-TXOOBNKBSA-L,,,,,,,,,,,
100.079.187,287-136-6,85409-65-0,"3,7,7-trimethyl-3-(2-methyl-3-oxobutyl)bicyclo[4.1.0]heptan-2-one","3,7,7-trimethyl-3-(2-methyl-3-oxobutyl)bicyclo[4.1.0]heptan-2-one",CC(CC1(C)CCC2C(C1=O)C2(C)C)C(=O)C,CC(CC1(C)CCC2C(C1=O)C2(C)C)C(=O)C,"InChI=1/C15H24O2/c1-9(10(2)16)8-15(5)7-6-11-12(13(15)17)14(11,3)4/h9,11-12H,6-8H2,1-5H3",C15H24O2,,,,,,JLDMXUUKIJKVPA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.188,287-137-1,85409-66-1,Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate,bis(2-ethylhexyl) 4-isopropyl-5-methylphthalate,CCCCC(CC)COC(=O)c1cc(C)c(cc1C(=O)OCC(CC)CCCC)C(C)C,CCCCC(CC)COC(=O)c1cc(C)c(cc1C(=O)OCC(CC)CCCC)C(C)C,"InChI=1/C28H46O4/c1-8-12-14-22(10-3)18-31-27(29)25-16-21(7)24(20(5)6)17-26(25)28(30)32-19-23(11-4)15-13-9-2/h16-17,20,22-23H,8-15,18-19H2,1-7H3",C28H46O4,,,,,,QBKDKZSFNDEINP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.189,287-138-7,85409-67-2,Bis(3-cyclohexylpropyl) phthalate,bis(3-cyclohexylpropyl) phthalate,O=C(OCCCC1CCCCC1)c2ccccc2C(=O)OCCCC3CCCCC3,O=C(OCCCC1CCCCC1)c2ccccc2C(=O)OCCCC3CCCCC3,"InChI=1/C26H38O4/c27-25(29-19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)26(28)30-20-10-16-22-13-5-2-6-14-22/h7-8,17-18,21-22H,1-6,9-16,19-20H2",C26H38O4,,,,,,IPPGURVEOVWSRH-UHFFFAOYSA-N,,,,,,,,,,,
100.079.195,287-145-5,85409-74-1,6-amino-4-methyl-5-[(4-nitrophenyl)azo]-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile,6-amino-4-methyl-5-[(4-nitrophenyl)diazenyl]-2-{[3-(2-phenoxyethoxy)propyl]amino}nicotinonitrile,Nc3nc(NCCCOCCOc1ccccc1)c(C#N)c(C)c3N=Nc2ccc(cc2)[N+]([O-])=O,Nc3nc(NCCCOCCOc1ccccc1)c(C#N)c(C)c3N=Nc2ccc(cc2)[N+]([O-])=O,"InChI=1/C24H25N7O4/c1-17-21(16-25)24(27-12-5-13-34-14-15-35-20-6-3-2-4-7-20)28-23(26)22(17)30-29-18-8-10-19(11-9-18)31(32)33/h2-4,6-11H,5,12-15H2,1H3,(H3,26,27,28)",C24H25N7O4,,,,,,PBFPIWUOXLTYMA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.204,287-154-4,85409-83-2,"N,N'-[oxybis(2,1-ethanediyloxymethylene)]bis[N-(butoxymethyl)acrylamide]","N-(10-acryloyl-2,5,8,12-tetraoxa-10-azahexadec-1-yl)-N-(butoxymethyl)acrylamide (non-preferred name)",CCCCOCN(COCCOCCOCN(COCCCC)C(=O)C=C)C(=O)C=C,CCCCOCN(COCCOCCOCN(COCCCC)C(=O)C=C)C(=O)C=C,"InChI=1/C22H40N2O7/c1-5-9-11-28-17-23(21(25)7-3)19-30-15-13-27-14-16-31-20-24(22(26)8-4)18-29-12-10-6-2/h7-8H,3-6,9-20H2,1-2H3",C22H40N2O7,,,,,,PMCMLIDOEJIYMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.209,287-160-7,85409-88-7,Potassium bis(tert-butyl)naphthalenesulphonate,"potassium 2,3-di-tert-butylnaphthalene-1-sulfonate",[K+].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-],[K+].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-],"InChI=1/C18H24O3S.K/c1-17(2,3)14-11-12-9-7-8-10-13(12)16(22(19,20)21)15(14)18(4,5)6;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1",C18H24O3S.K,,,,,,UFZPEWYXFLYJJN-UHFFFAOYSA-M,,,,,,,,,,,
100.079.211,287-162-8,85409-90-1,Aluminium tris(butylnaphthalenesulphonate),aluminum tris(2-butylnaphthalene-1-sulfonate),[Al+3].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCc3ccc4ccccc4c3S(=O)(=O)[O-].CCCCc5ccc6ccccc6c5S(=O)(=O)[O-],[Al+3].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCc3ccc4ccccc4c3S(=O)(=O)[O-].CCCCc5ccc6ccccc6c5S(=O)(=O)[O-],"InChI=1/3C14H16O3S.Al/c3*1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h3*4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;;;+3/p-3",C14H16O3S.1/3Al,,,,,,DUYMYTMBVMSMOD-UHFFFAOYSA-K,,,,,,,,,,,
100.079.219,287-171-7,85409-98-9,Potassium dimethylnaphthalenesulphonate,"potassium 2,3-dimethylnaphthalene-1-sulfonate",[K+].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-],[K+].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-],"InChI=1/C12H12O3S.K/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1",C12H12O3S.K,,,,,,FXLIRIZRZOEABT-UHFFFAOYSA-M,,,,,,,,,,,
100.080.921,289-045-7,85959-51-9,"5-amino-3-[[4-[[4-[(7-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid","5-amino-3-{[4-({4-[(7-amino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonic acid",OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O,OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C32H24N8O11S3/c33-18-2-1-16-12-26(53(46,47)48)29(31(41)24(16)14-18)39-37-21-7-3-19(4-8-21)35-36-20-5-9-22(10-6-20)38-40-30-27(54(49,50)51)13-17-11-23(52(43,44)45)15-25(34)28(17)32(30)42/h1-15,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)",C32H24N8O11S3,,,,,,JDCOSWRVTRJEDB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.930,289-055-1,85959-60-0,"N-(p-chlorophenyl)-2-cyano-2-[2,3-dihydro-3-[tetrahydro-2,4,6-trioxo-1-p-tolylpyrimidin-5(2H)-ylidene]-1H-isoindol-1-ylidene]acetamide","N-(4-chlorophenyl)-2-cyano-2-{3-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]-2,3-dihydro-1H-isoindol-1-ylidene}acetamide",Cc1ccc(cc1)N5C(=O)NC(=O)C(=C2NC(c3ccccc23)=C(C#N)C(=O)Nc4ccc(Cl)cc4)C5=O,Cc1ccc(cc1)N5C(=O)NC(=O)C(=C2NC(c3ccccc23)=C(C#N)C(=O)Nc4ccc(Cl)cc4)C5=O,"InChI=1/C28H18ClN5O4/c1-15-6-12-18(13-7-15)34-27(37)22(26(36)33-28(34)38)24-20-5-3-2-4-19(20)23(32-24)21(14-30)25(35)31-17-10-8-16(29)9-11-17/h2-13,32H,1H3,(H,31,35)(H,33,36,38)",C28H18ClN5O4,,,,,,CFLMHSCXKUSYRU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.934,289-059-3,85959-64-4,Butylbis(2-hydroxyethyl)ammonium butyl sulphate,"N,N-bis(2-hydroxyethyl)butan-1-aminium butyl sulfate",CCCCOS(=O)(=O)[O-].CCCC[NH+](CCO)CCO,CCCCOS(=O)(=O)[O-].CCCC[NH+](CCO)CCO,"InChI=1/C8H19NO2.C4H10O4S/c1-2-3-4-9(5-7-10)6-8-11;1-2-3-4-8-9(5,6)7/h10-11H,2-8H2,1H3;2-4H2,1H3,(H,5,6,7)",C8H19NO2.C4H10O4S,,,,,,XJJNKIJYDXKFFW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.261,301-533-4,94022-37-4,"2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-, sodium salt, compd. with 2,2',2''-nitrilotris[ethanol]","sodium 4-hydroxy-7-[({5-hydroxy-6-[(2-methoxy-4-sulfophenyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-[(6-sulfo-2-naphthyl)diazenyl]naphthalene-2-sulfonate - 2,2',2''-nitrilotriethanol (1:1)",[Na+].COc7cc(ccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S(O)(=O)=O)S(O)(=O)=O.OCCN(CCO)CCO,[Na+].COc7cc(ccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S(O)(=O)=O)S(O)(=O)=O.OCCN(CCO)CCO,"InChI=1/C38H28N6O16S4.C6H15NO3.Na/c1-60-31-18-27(62(51,52)53)8-11-30(31)42-44-35-33(64(57,58)59)17-22-14-24(6-10-29(22)37(35)46)40-38(47)39-23-5-9-28-21(13-23)16-32(63(54,55)56)34(36(28)45)43-41-25-4-2-20-15-26(61(48,49)50)7-3-19(20)12-25;8-4-1-7(2-5-9)3-6-10;/h2-18,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);8-10H,1-6H2;/q;;+1/p-1",C38H28N6O16S4.xC6H15NO3.xNa,,,,,,WRENUUDGESXFCI-UHFFFAOYSA-M,,,,,,,,,,,
100.092.263,301-536-0,94022-39-6,"4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","4-amino-3-({4'-[(2,4-diaminophenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Nc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(cc3)S(O)(=O)=O)c4O)S(O)(=O)=O)c(C)c5)c(N)c6,Nc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(cc3)S(O)(=O)=O)c4O)S(O)(=O)=O)c(C)c5)c(N)c6,"InChI=1/C36H31N9O10S3/c1-18-13-20(3-10-27(18)41-43-29-12-5-23(37)17-26(29)38)21-4-11-28(19(2)14-21)42-44-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)39)45-40-24-6-8-25(9-7-24)56(47,48)49/h3-17,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)",C36H31N9O10S3,,,,,,FGTIKKJKFSWHRW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.269,301-542-3,94022-46-5,"2-chloro-4-(dibenzylamino)-5-(2-hydroxyethoxy)benzenediazonium chloride, compound with tin dichloride","2-chloro-4-(dibenzylamino)-5-(2-hydroxyethoxy)benzenediazonium chloride, compound with tin dichloride",[Cl-].[Cl-].[Cl-].[Sn+4].OCCOc1cc([N+]#N)c(Cl)cc1N(Cc2ccccc2)Cc3ccccc3,[Cl-].[Cl-].[Cl-].[Sn+4].OCCOc1cc([N+]#N)c(Cl)cc1N(Cc2ccccc2)Cc3ccccc3,"InChI=1/C22H21ClN3O2.3ClH.Sn/c23-19-13-21(22(28-12-11-27)14-20(19)25-24)26(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;;;;/h1-10,13-14,27H,11-12,15-16H2;3*1H;/q+1;;;;+4/p-3",C22H21ClN3O2.xCl2Sn.Cl,,,,,,SPJCLDHWTZYCKS-UHFFFAOYSA-K,,,,,,,,,,,
100.092.271,301-544-4,94022-48-7,Palladium diiodate,palladium(2+) diiodate,[Pd+2].[O-]I(=O)=O.[O-]I(=O)=O,[Pd+2].[O-]I(=O)=O.[O-]I(=O)=O,"InChI=1/2HIO3.Pd/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",HIO3.1/2Pd,,,,,,HORKGKIIFYQCNM-UHFFFAOYSA-L,,,,,,,,,,,
100.092.277,301-551-2,94022-54-5,3-chloro-4-(dibutylamino)benzenediazonium trichlorozincate,3-chloro-4-(dibutylamino)benzenediazonium trichlorozincate(1-),CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.Cl[Zn-](Cl)Cl,CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.Cl[Zn-](Cl)Cl,"InChI=1/C14H21ClN3.3ClH.Zn/c1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;;;;/h7-8,11H,3-6,9-10H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC14H21ClN3.Cl3Zn/c1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;1-4(2)3/h7-8,11H,3-6,9-10H2,1-2H3;/q+1;-1",C14H21ClN3.Cl3Zn,,,,,,KYRCKTSELNEPKH-UHFFFAOYSA-K,,,,,,,,,,,
100.092.280,301-554-9,94022-57-8,(Z)-N-[[3-(aminomethyl)phenyl]methyl]-3-(9-octadecenylamino)propionamide,N-[3-(aminomethyl)benzyl]-N~3~-octadec-9-en-1-yl-beta-alaninamide,CCCCCCCC\\C=C/CCCCCCCCNCCC(=O)NCc1cccc(CN)c1,CCCCCCCC\C=C/CCCCCCCCNCCC(=O)NCc1cccc(CN)c1,"InChI=1/C29H51N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-23-21-29(33)32-26-28-20-18-19-27(24-28)25-30/h9-10,18-20,24,31H,2-8,11-17,21-23,25-26,30H2,1H3,(H,32,33)",C29H51N3O,,,,,,KWSZBVNWSUIJKL-KTKRTIGZSA-N,,,,,,,,,,,
100.092.282,301-557-5,94022-59-0,"1-(1-cyclohexen-1-yl)-5,5-diethylbarbituric acid","1-cyclohex-1-en-1-yl-5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione",CCC1(CC)C(=O)NC(=O)N(C2=CCCCC2)C1=O,CCC1(CC)C(=O)NC(=O)N(C2=CCCCC2)C1=O,"InChI=1/C14H20N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3,(H,15,17,19)",C14H20N2O3,,,,,,JFISKEILZAUDSN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.284,301-559-6,94022-61-4,1-bicyclo[2.2.1]hept-2-ylethyl butyrate,1-bicyclo[2.2.1]hept-2-ylethyl butyrate,CCCC(=O)OC(C)C1CC2CCC1C2,CCCC(=O)OC(C)C1CC2CCC1C2,"InChI=1/C13H22O2/c1-3-4-13(14)15-9(2)12-8-10-5-6-11(12)7-10/h9-12H,3-8H2,1-2H3",C13H22O2,,,,,,KYZBDSLEMDHLBR-UHFFFAOYSA-N,,,,,,,,,,,
100.087.614,296-419-3,92699-90-6,Butyl 4-(4-chloro-2-methylphenoxy)butyrate,butyl 4-(4-chloro-2-methylphenoxy)butanoate,CCCCOC(=O)CCCOc1ccc(Cl)cc1C,CCCCOC(=O)CCCOc1ccc(Cl)cc1C,"InChI=1/C15H21ClO3/c1-3-4-9-19-15(17)6-5-10-18-14-8-7-13(16)11-12(14)2/h7-8,11H,3-6,9-10H2,1-2H3",C15H21ClO3,,,,,,KOXLMFVJUQQBIY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.251,298-223-3,93783-17-6,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxy-2-(phenylazo)phenyl]hexanamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-{[(4-cyanophenyl)carbamoyl]amino}-5-hydroxy-2-(phenyldiazenyl)phenyl]hexanamide",N#Cc1ccc(cc1)NC(=O)Nc3cc(N=Nc2ccccc2)c(cc3O)NC(=O)C(CCCC)Oc4ccc(cc4C(C)(C)CC)C(C)(C)CC,N#Cc1ccc(cc1)NC(=O)Nc3cc(N=Nc2ccccc2)c(cc3O)NC(=O)C(CCCC)Oc4ccc(cc4C(C)(C)CC)C(C)(C)CC,"InChI=1/C42H50N6O4/c1-8-11-17-38(52-37-23-20-29(41(4,5)9-2)24-32(37)42(6,7)10-3)39(50)45-33-26-36(49)35(25-34(33)48-47-31-15-13-12-14-16-31)46-40(51)44-30-21-18-28(27-43)19-22-30/h12-16,18-26,38,49H,8-11,17H2,1-7H3,(H,45,50)(H2,44,46,51)",C42H50N6O4,,,,,,IIVBRLPTAIRAFA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.078,303-532-4,94200-54-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl dihydrogen phosphate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl dihydrogen phosphate",OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H6F29O4P/c17-3(18,1-2-49-50(46,47)48)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h1-2H2,(H2,46,47,48)",C16H6F29O4P,,,,,,QIZXNATWTHMMHR-UHFFFAOYSA-N,,,,,,,,,,,
100.094.081,303-536-6,94200-57-4,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl dihydrogen phosphate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl dihydrogen phosphate",OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C15H6F27O4P/c16-3(17,1-2-46-47(43,44)45)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)12(33,34)10(29,30)8(25,26)6(21,22)4(18,14(37,38)39)15(40,41)42/h1-2H2,(H2,43,44,45)",C15H6F27O4P,,,,,,RJFPCNLXFAGIGO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.089,303-545-5,94200-66-5,2-dodecylhexadecyl palmitate,2-dodecylhexadecyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCC)CCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCC)CCCCCCCCCCCCCC,"InChI=1/C44H88O2/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-41-44(45)46-42-43(39-36-33-30-27-21-18-15-12-9-6-3)40-37-34-31-28-25-23-20-17-14-11-8-5-2/h43H,4-42H2,1-3H3",C44H88O2,,,,,,PKRQEAGAYQRYOD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.091,303-547-6,94200-68-7,"3-(3-chloro-2,4,6-trinitrophenoxy)phenol","3-(3-chloro-2,4,6-trinitrophenoxy)phenol",Oc1cccc(Oc2c(cc(c(Cl)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1,Oc1cccc(Oc2c(cc(c(Cl)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1,"InChI=1/C12H6ClN3O8/c13-10-8(14(18)19)5-9(15(20)21)12(11(10)16(22)23)24-7-3-1-2-6(17)4-7/h1-5,17H",C12H6ClN3O8,,,,,,APCPHDKQTSPRBK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.105,303-562-8,94200-82-5,"3,3'-[(3,3'-diethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonic] acid","3,3'-[(3,3'-diethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulfonic acid]",CCOc4cc(ccc4N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c8ccc(N=Nc7c(cc6cc(cc(NC(=O)c5ccccc5)c6c7O)S(O)(=O)=O)S(O)(=O)=O)c(OCC)c8,CCOc4cc(ccc4N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c8ccc(N=Nc7c(cc6cc(cc(NC(=O)c5ccccc5)c6c7O)S(O)(=O)=O)S(O)(=O)=O)c(OCC)c8,"InChI=1/C50H40N6O18S4/c1-3-73-39-21-29(15-17-35(39)53-55-45-41(77(67,68)69)23-31-19-33(75(61,62)63)25-37(43(31)47(45)57)51-49(59)27-11-7-5-8-12-27)30-16-18-36(40(22-30)74-4-2)54-56-46-42(78(70,71)72)24-32-20-34(76(64,65)66)26-38(44(32)48(46)58)52-50(60)28-13-9-6-10-14-28/h5-26,57-58H,3-4H2,1-2H3,(H,51,59)(H,52,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)",C50H40N6O18S4,,,,,,SGNVZXKWIKQXIU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.107,303-564-9,94200-84-7,"N-[4-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxonaphthalene-2-carboxamide","N-[4-(4-tert-butyl-2-cyclopentylphenoxy)butyl]-4-({4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl}imino)-1-oxo-1,4-dihydronaphthalene-2-carboxamide",CCN(CCO)c5ccc(N=C1\\C=C(/C(=O)c2ccccc12)C(=O)NCCCCOc3ccc(cc3C4CCCC4)C(C)(C)C)c(C)c5,CCN(CCO)c5ccc(N=C1\C=C(/C(=O)c2ccccc12)C(=O)NCCCCOc3ccc(cc3C4CCCC4)C(C)(C)C)c(C)c5,"InChI=1/C41H51N3O4/c1-6-44(22-23-45)31-18-19-36(28(2)25-31)43-37-27-35(39(46)33-16-10-9-15-32(33)37)40(47)42-21-11-12-24-48-38-20-17-30(41(3,4)5)26-34(38)29-13-7-8-14-29/h9-10,15-20,25-27,29,45H,6-8,11-14,21-24H2,1-5H3,(H,42,47)",C41H51N3O4,,,,,,VDEDPTHMIPKIFK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.061,304-613-7,94277-30-2,2-dodecylhexadecyl octanoate,2-dodecylhexadecyl octanoate,CCCCCCCCCCCCCCC(CCCCCCCCCCCC)COC(=O)CCCCCCC,CCCCCCCCCCCCCCC(CCCCCCCCCCCC)COC(=O)CCCCCCC,"InChI=1/C36H72O2/c1-4-7-10-13-15-17-19-20-22-24-27-29-32-35(34-38-36(37)33-30-25-12-9-6-3)31-28-26-23-21-18-16-14-11-8-5-2/h35H,4-34H2,1-3H3",C36H72O2,,,,,,PYPZOHGTMJFJCP-UHFFFAOYSA-N,,,,,,,,,,,
100.095.062,304-614-2,94277-31-3,2-octyldodecyl octanoate,2-octyldodecyl octanoate,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCC,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCC,"InChI=1/C28H56O2/c1-4-7-10-13-15-16-19-21-24-27(23-20-18-14-11-8-5-2)26-30-28(29)25-22-17-12-9-6-3/h27H,4-26H2,1-3H3",C28H56O2,,,,,,BQICHPILIPUDHG-UHFFFAOYSA-N,,,,,,,,,,,
100.095.069,304-622-6,94277-39-1,Ethylbis(2-ethylhexyl)methylammonium hydrogen sulphate,"N,2-diethyl-N-(2-ethylhexyl)-N-methylhexan-1-aminium hydrogen sulfate",CCCCC(CC)C[N+](C)(CC)CC(CC)CCCC.[O-]S(=O)(=O)[O-],CCCCC(CC)C[N+](C)(CC)CC(CC)CCCC.[O-]S(=O)(=O)[O-],"InChI=1/C19H42N.H2O4S/c1-7-12-14-18(9-3)16-20(6,11-5)17-19(10-4)15-13-8-2;1-5(2,3)4/h18-19H,7-17H2,1-6H3;(H2,1,2,3,4)/q+1;/p-2",C19H42N.HO4S,,,,,,LDIXXACCXIBZDR-UHFFFAOYSA-L,,,,,,,,,,,
100.095.070,304-623-1,94277-40-4,Ethyl ethylbis(2-ethylhexyl)methylammonium sulphate,"5,7,9-triethyltridecan-7-aminium ethyl sulfate",CCCCC(CC)CC([NH3+])(CC)CC(CC)CCCC.CCOS(=O)(=O)[O-],CCCCC(CC)CC([NH3+])(CC)CC(CC)CCCC.CCOS(=O)(=O)[O-],"InChI=1/C19H41N.C2H6O4S/c1-6-11-13-17(8-3)15-19(20,10-5)16-18(9-4)14-12-7-2;1-2-6-7(3,4)5/h17-18H,6-16,20H2,1-5H3;2H2,1H3,(H,3,4,5)",C19H42N.C2H5O4S,,,,,,QMZJWXJFEIXBAU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.068,303-521-4,94200-44-9,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-tritriacontafluoro-2-hydroxynonadecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-tritriacontafluoro-2-hydroxynonadecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C19H8F33O5P/c20-4(21,1-3(53)2-57-58(54,55)56)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)52/h3,53H,1-2H2,(H2,54,55,56)",C19H8F33O5P,,,,,,AGKXMXVIKUJGIA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.032,304-581-4,94276-97-8,Bis(2-hydroxy-1-methylethyl)methyl(octadecyl)ammonium methyl sulphate,N-[3-hydroxy-1-(2-hydroxy-1-methylethyl)-2-methylpropyl]octadecan-1-aminium methyl sulfate,CCCCCCCCCCCCCCCCCC[NH2+]C(C(C)CO)C(C)CO.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[NH2+]C(C(C)CO)C(C)CO.COS(=O)(=O)[O-],"InChI=1/C25H53NO2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(23(2)21-27)24(3)22-28;1-5-6(2,3)4/h23-28H,4-22H2,1-3H3;1H3,(H,2,3,4)",C25H54NO2.CH3O4S,,,,,,DQPJIGUURRWRDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.034,304-584-0,94276-99-0,"Glycine, N-[3-amino-4-[[7-[[4-[[4-[[7-[[2-amino-4-[(carboxymethyl)amino]phenyl]azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]phenyl]-, pentasodium salt",pentasodium [(3-amino-4-{[7-({4-[(4-{[7-({2-amino-4-[(carboxylatomethyl)amino]phenyl}diazenyl)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}phenyl)amino]-3-sulfonatophenyl}diazenyl)-8-hydroxy-6-sulfonato-2-naphthyl]diazenyl}phenyl)amino]acetate,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CNc8ccc(N=Nc6ccc7cc(c(N=Nc1ccc(cc1)Nc2ccc(cc2S([O-])(=O)=O)N=Nc4c(cc3ccc(cc3c4O)N=Nc5ccc(NCC([O-])=O)cc5N)S([O-])(=O)=O)c(O)c7c6)S([O-])(=O)=O)c(N)c8,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CNc8ccc(N=Nc6ccc7cc(c(N=Nc1ccc(cc1)Nc2ccc(cc2S([O-])(=O)=O)N=Nc4c(cc3ccc(cc3c4O)N=Nc5ccc(NCC([O-])=O)cc5N)S([O-])(=O)=O)c(O)c7c6)S([O-])(=O)=O)c(N)c8,"InChI=1/C48H39N13O15S3.5Na/c49-35-19-28(51-22-43(62)63)9-12-37(35)58-55-30-3-1-24-15-41(78(71,72)73)45(47(66)33(24)17-30)60-54-27-7-5-26(6-8-27)53-39-14-11-32(21-40(39)77(68,69)70)57-61-46-42(79(74,75)76)16-25-2-4-31(18-34(25)48(46)67)56-59-38-13-10-29(20-36(38)50)52-23-44(64)65;;;;;/h1-21,51-53,66-67H,22-23,49-50H2,(H,62,63)(H,64,65)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;/q;5*+1/p-5",C48H39N13O15S3.5Na,,,,,,VBPANTBQTBMPKM-UHFFFAOYSA-I,,,,,,,,,,,
100.094.073,303-527-7,94200-49-4,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-tritriacontafluoro-2-hydroxynonadecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-tritriacontafluoro-2-hydroxynonadecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C19H8F33O5P.2H3N/c20-4(21,1-3(53)2-57-58(54,55)56)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)52;;/h3,53H,1-2H2,(H2,54,55,56);2*1H3",C19H8F33O5P.2H3N,,,,,,SYIONWFFQGTSLC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.075,303-529-8,94200-51-8,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C16H8F27O5P.2H3N/c17-4(18,1-3(44)2-48-49(45,46)47)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(19,15(38,39)40)16(41,42)43;;/h3,44H,1-2H2,(H2,45,46,47);2*1H3",C16H8F27O5P.2H3N,,,,,,KNOJCFMGGMASGT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.076,303-530-3,94200-52-9,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-2-hydroxy-16-(trifluoromethyl)heptadecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-2-hydroxy-16-(trifluoromethyl)heptadecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C18H8F31O5P.2H3N/c19-4(20,1-3(50)2-54-55(51,52)53)6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)15(40,41)13(36,37)11(32,33)9(28,29)7(24,25)5(21,17(44,45)46)18(47,48)49;;/h3,50H,1-2H2,(H2,51,52,53);2*1H3",C18H8F31O5P.2H3N,,,,,,NXQXVXTVWLLAHB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.077,303-531-9,94200-53-0,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-dotriacontafluoro-2-hydroxy-18-(trifluoromethyl)nonadecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-dotriacontafluoro-2-hydroxy-18-(trifluoromethyl)nonadecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C20H8F35O5P.2H3N/c21-4(22,1-3(56)2-60-61(57,58)59)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)16(44,45)18(48,49)17(46,47)15(42,43)13(38,39)11(34,35)9(30,31)7(26,27)5(23,19(50,51)52)20(53,54)55;;/h3,56H,1-2H2,(H2,57,58,59);2*1H3",C20H8F35O5P.2H3N,,,,,,MRIACIFWLACMIV-UHFFFAOYSA-N,,,,,,,,,,,
100.079.220,287-172-2,85409-99-0,Calcium bis(dimethylnaphthalenesulphonate),"calcium bis(2,3-dimethylnaphthalene-1-sulfonate)",[Ca+2].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-].Cc3cc4ccccc4c(c3C)S(=O)(=O)[O-],[Ca+2].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-].Cc3cc4ccccc4c(c3C)S(=O)(=O)[O-],"InChI=1/2C12H12O3S.Ca/c2*1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h2*3-7H,1-2H3,(H,13,14,15);/q;;+2/p-2",C12H12O3S.1/2Ca,,,,,,NVJVMBQMPVICEW-UHFFFAOYSA-L,,,,,,,,,,,
100.079.239,287-193-7,85414-23-9,Sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate,sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate,[Na+].OCCN1CC(CC1=O)C(=O)[O-],[Na+].OCCN1CC(CC1=O)C(=O)[O-],"InChI=1/C7H11NO4.Na/c9-2-1-8-4-5(7(11)12)3-6(8)10;/h5,9H,1-4H2,(H,11,12);/q;+1/p-1",C7H11NO4.Na,,,,,,AHNPSXHWFCFSQG-UHFFFAOYSA-M,,,,,,,,,,,
100.079.240,287-194-2,85414-24-0,Sodium 1-butyl-5-oxopyrrolidine-3-carboxylate,sodium 1-butyl-5-oxopyrrolidine-3-carboxylate,[Na+].CCCCN1CC(CC1=O)C(=O)[O-],[Na+].CCCCN1CC(CC1=O)C(=O)[O-],"InChI=1/C9H15NO3.Na/c1-2-3-4-10-6-7(9(12)13)5-8(10)11;/h7H,2-6H2,1H3,(H,12,13);/q;+1/p-1",C9H15NO3.Na,,,,,,PIHMVPGVJKLVOI-UHFFFAOYSA-M,,,,,,,,,,,
100.080.752,288-858-4,85909-54-2,(2-hydroxyethyl)(1-hydroxy-1-methylethyl)dimethylammonium chloride,"2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylpropan-2-aminium chloride",[Cl-].CC(C)(O)[N+](C)(C)CCO,[Cl-].CC(C)(O)[N+](C)(C)CCO,"InChI=1/C7H18NO2.ClH/c1-7(2,10)8(3,4)5-6-9;/h9-10H,5-6H2,1-4H3;1H/q+1;/p-1",C7H18NO2.Cl,,,,,,HHMGBTGVYDGEPW-UHFFFAOYSA-M,,,,,,,,,,,
100.080.757,288-864-7,85909-59-7,Sodium 2-[(2-hydroxyethyl)[2-(sulphonatooxy)ethyl]sulphonio]ethyl sulphate,"sodium [(2-hydroxyethyl)sulfoniumdiyl]diethane-2,1-diyl disulfate",[Na+].OCC[S+](CCOS(=O)(=O)[O-])CCOS(=O)(=O)[O-],[Na+].OCC[S+](CCOS(=O)(=O)[O-])CCOS(=O)(=O)[O-],"InChI=1/C6H14O9S3.Na/c7-1-4-16(5-2-14-17(8,9)10)6-3-15-18(11,12)13;/h7H,1-6H2,(H-,8,9,10,11,12,13);/q;+1/p-1",C6H14O9S3.Na,,,,,,DWCNDGVFMRPXJK-UHFFFAOYSA-M,,,,,,,,,,,
100.080.768,288-876-2,85938-42-7,Dioctylbis(palmitoyloxy)stannane,dioctyl[bis(palmitoyloxy)]stannane,CCCCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/2C16H32O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-3-5-7-8-6-4-2;/h2*2-15H2,1H3,(H,17,18);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC48H96O4Sn/c1-5-9-13-17-21-23-25-27-29-31-33-35-39-43-47(49)51-53(45-41-37-19-15-11-7-3,46-42-38-20-16-12-8-4)52-48(50)44-40-36-34-32-30-28-26-24-22-18-14-10-6-2/h5-46H2,1-4H3",C48H96O4Sn,,,,,,HUYAMDVOPBKCJF-UHFFFAOYSA-L,,,,,,,,,,,
100.080.772,288-880-4,85938-46-1,"(Z,Z)-1,1,3,3-tetraoctyl-1,3-bis[(1-oxooctadec-9-enyl)oxy]distannoxane","1,1,3,3-tetraoctyl-1,3-bis(oleoyloxy)distannoxane",CCCCCCCC\\C=C/CCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/2C18H34O2.4C8H17.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-5-7-8-6-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2/rC68H134O5Sn2/c1-7-13-19-25-31-33-35-37-39-41-43-45-47-49-55-61-67(69)71-74(63-57-51-27-21-15-9-3,64-58-52-28-22-16-10-4)73-75(65-59-53-29-23-17-11-5,66-60-54-30-24-18-12-6)72-68(70)62-56-50-48-46-44-42-40-38-36-34-32-26-20-14-8-2/h37-40H,7-36,41-66H2,1-6H3",C68H134O5Sn2,,,,,,ISZCRZBMOAPRAY-MNHRHIJMSA-L,,,,,,,,,,,
100.080.773,288-882-5,85938-47-2,"1,1,3,3-tetraoctyl-1,3-bis[(1-oxohexadecyl)oxy]distannoxane","1,1,3,3-tetraoctyl-1,3-bis(palmitoyloxy)distannoxane",CCCCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/2C16H32O2.4C8H17.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4*1-3-5-7-8-6-4-2;;;/h2*2-15H2,1H3,(H,17,18);4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2/rC64H130O5Sn2/c1-7-13-19-25-31-33-35-37-39-41-43-45-51-57-63(65)67-70(59-53-47-27-21-15-9-3,60-54-48-28-22-16-10-4)69-71(61-55-49-29-23-17-11-5,62-56-50-30-24-18-12-6)68-64(66)58-52-46-44-42-40-38-36-34-32-26-20-14-8-2/h7-62H2,1-6H3",C64H130O5Sn2,,,,,,NFUQPAQTGMPBOM-UHFFFAOYSA-L,,,,,,,,,,,
100.082.500,290-785-8,90228-18-5,"Tetrahydro-1,3-bis(hydroxymethyl)-5-propyl-1,3,5-triazin-2(1H)-one","1,3-bis(hydroxymethyl)-5-propyl-1,3,5-triazinan-2-one",CCCN1CN(CO)C(=O)N(CO)C1,CCCN1CN(CO)C(=O)N(CO)C1,"InChI=1/C8H17N3O3/c1-2-3-9-4-10(6-12)8(14)11(5-9)7-13/h12-13H,2-7H2,1H3",C8H17N3O3,,,,,,OKTQWTOTDZMNHS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.825,288-939-4,85940-53-0,Ethylhexadecyldimethylammonium 2-benzyl-4-chlorophenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium 2-benzyl-4-chlorophenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cl)cc1Cc2ccccc2,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cl)cc1Cc2ccccc2,"InChI=1/C20H44N.C13H11ClO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h5-20H2,1-4H3;1-7,9,15H,8H2/q+1;/p-1",C20H44N.C13H10ClO,,,,,,OAOSIJMDKCWUCO-UHFFFAOYSA-M,,,,,,,,,,,
100.079.731,287-734-7,85567-21-1,"[(1,1,2,2-tetrafluoroethoxy)methyl]oxirane","2-[(1,1,2,2-tetrafluoroethoxy)methyl]oxirane",FC(F)C(F)(F)OCC1CO1,FC(F)C(F)(F)OCC1CO1,"InChI=1/C5H6F4O2/c6-4(7)5(8,9)11-2-3-1-10-3/h3-4H,1-2H2",C5H6F4O2,,,,,,HFNPKDDYCOMYLN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.465,302-858-4,94134-88-0,2-methyl-6-methyleneoct-7-en-2-yl propionate,"1,1-dimethyl-5-methylenehept-6-en-1-yl propionate",CCC(=O)OC(C)(C)CCCC(=C)C=C,CCC(=O)OC(C)(C)CCCC(=C)C=C,"InChI=1/C13H22O2/c1-6-11(3)9-8-10-13(4,5)15-12(14)7-2/h6H,1,3,7-10H2,2,4-5H3",C13H22O2,,,,,,RGLNFSSMFMUBER-UHFFFAOYSA-N,,,,,,,,,,,
100.093.466,302-860-5,94134-89-1,"(Z)-N,N-dioctadecyl-9-octadecenamide","N,N-dioctadecyloctadec-9-enamide",CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C54H107NO/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(56)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h27,30H,4-26,28-29,31-53H2,1-3H3",C54H107NO,,,,,,IOUJMGBGFAJHAE-IKPAITLHSA-N,,,,,,,,,,,
100.093.470,302-864-7,94134-93-7,[4-(1-methylethyl)phenyl]methyl salicylate,4-isopropylbenzyl salicylate,CC(C)c1ccc(COC(=O)c2ccccc2O)cc1,CC(C)c1ccc(COC(=O)c2ccccc2O)cc1,"InChI=1/C17H18O3/c1-12(2)14-9-7-13(8-10-14)11-20-17(19)15-5-3-4-6-16(15)18/h3-10,12,18H,11H2,1-2H3",C17H18O3,,,,,,AALXZHPCKJILAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.479,302-874-1,94135-06-5,"4,17-dihydroxypregn-4-ene-3,20-dione 4-acetate 17-hexanoate","4-acetoxy-3,20-dioxopregn-4-en-17-yl hexanoate",CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=C(OC(=O)C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=C(OC(=O)C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C29H42O6/c1-6-7-8-9-25(33)35-29(18(2)30)17-13-22-20-10-11-23-26(34-19(3)31)24(32)14-15-27(23,4)21(20)12-16-28(22,29)5/h20-22H,6-17H2,1-5H3",C29H42O6,,,,,,WRZVFSQVZDEDIK-NTLFILIOSA-N,,,,,,,,,,,
100.093.487,302-883-0,94135-14-5,"2,2'-(1-methylethylidene)bis(cyclohexan-1-ol)","2,2'-propane-2,2-diyldicyclohexanol",CC(C)(C1CCCCC1O)C2CCCCC2O,CC(C)(C1CCCCC1O)C2CCCCC2O,"InChI=1/C15H28O2/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17/h11-14,16-17H,3-10H2,1-2H3",C15H28O2,,,,,,VNFGHPHDNKDZBB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.495,302-891-4,94135-22-5,4-(acetylamino)-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,4-acetamido-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,CCN(CC)CCNC(=O)c1cc(Br)c(NC(=O)C)cc1OC,CCN(CC)CCNC(=O)c1cc(Br)c(NC(=O)C)cc1OC,"InChI=1/C16H24BrN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)",C16H24BrN3O3,,,,,,UOWCNHGEKKEIDG-UHFFFAOYSA-N,,,,,,,,,,,
100.092.291,301-566-4,94022-68-1,"4,4'-[(4-sulpho-1,3-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonic] acid","4,4'-{(4-sulfo-1,3-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis[5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid]",OS(=O)(=O)c8cc9cc(cc(Nc1nc(nc(Cl)n1)Nc6cc(Nc5nc(Nc3cc(cc4cc(c(N=Nc2ccccc2)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n5)c(cc6)S(O)(=O)=O)c9c(O)c8N=Nc7ccccc7)S(O)(=O)=O,OS(=O)(=O)c8cc9cc(cc(Nc1nc(nc(Cl)n1)Nc6cc(Nc5nc(Nc3cc(cc4cc(c(N=Nc2ccccc2)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(Cl)n5)c(cc6)S(O)(=O)=O)c9c(O)c8N=Nc7ccccc7)S(O)(=O)=O,"InChI=1/C44H30Cl2N14O17S5/c45-39-51-41(55-43(53-39)49-28-18-25(78(63,64)65)13-20-15-31(81(72,73)74)35(37(61)33(20)28)59-57-22-7-3-1-4-8-22)47-24-11-12-30(80(69,70)71)27(17-24)48-42-52-40(46)54-44(56-42)50-29-19-26(79(66,67)68)14-21-16-32(82(75,76)77)36(38(62)34(21)29)60-58-23-9-5-2-6-10-23/h1-19,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H2,47,49,51,53,55)(H2,48,50,52,54,56)",C44H30Cl2N14O17S5,,,,,,DAEROLLVXIFFNX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.300,301-576-9,94022-81-8,"4,5-dihydro-1-methyl-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium methyl sulphate","1-[3-(dodecanoylamino)propyl]-1-methyl-2-undecyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCC(=O)NCCC[N+]1(C)CCN=C1CCCCCCCCCCC.COS(=O)(=O)[O-],CCCCCCCCCCCC(=O)NCCC[N+]1(C)CCN=C1CCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C30H59N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-23-29-31-26-28-33(29,3)27-22-25-32-30(34)24-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-28H2,1-3H3;1H3,(H,2,3,4)",C30H60N3O.CH3O4S,,,,,,NGLQSUGHNOMQAH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.302,301-579-5,94022-83-0,"Methyl 2-[[(3,5-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate","methyl 2-{[(3,5-dimethylcyclohex-3-en-1-yl)methylene]amino}benzoate",COC(=O)c2ccccc2N=CC1CC(\\C)=C/C(C)C1,COC(=O)c2ccccc2N=CC1CC(\C)=C/C(C)C1,"InChI=1/C17H21NO2/c1-12-8-13(2)10-14(9-12)11-18-16-7-5-4-6-15(16)17(19)20-3/h4-8,11-12,14H,9-10H2,1-3H3",C17H21NO2,,,,,,NAMUVRSTEVMHAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.305,301-582-1,94022-86-3,"3,3'-[cyclohexylidenebis[(2-methoxy-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonic) acid","3,3'-{cyclohexane-1,1-diylbis[(2-methoxy-4,1-phenylene)diazene-2,1-diyl]}bis(4,6-dihydroxynaphthalene-2-sulfonic acid)",OS(=O)(=O)c7cc1ccc(O)cc1c(O)c7N=Nc2ccc(cc2OC)C3(CCCCC3)c6cc(OC)c(N=Nc5c(cc4ccc(O)cc4c5O)S(O)(=O)=O)cc6,OS(=O)(=O)c7cc1ccc(O)cc1c(O)c7N=Nc2ccc(cc2OC)C3(CCCCC3)c6cc(OC)c(N=Nc5c(cc4ccc(O)cc4c5O)S(O)(=O)=O)cc6,"InChI=1/C40H36N4O12S2/c1-55-32-18-24(8-12-30(32)41-43-36-34(57(49,50)51)16-22-6-10-26(45)20-28(22)38(36)47)40(14-4-3-5-15-40)25-9-13-31(33(19-25)56-2)42-44-37-35(58(52,53)54)17-23-7-11-27(46)21-29(23)39(37)48/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54)",C40H36N4O12S2,,,,,,LREXSNYMCUVGLE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.314,301-592-6,94022-97-6,1-[[2-(trifluoromethyl)phenyl]methyl]piperazine,1-[2-(trifluoromethyl)benzyl]piperazine,FC(F)(F)c1ccccc1CN2CCNCC2,FC(F)(F)c1ccccc1CN2CCNCC2,"InChI=1/C12H15F3N2/c13-12(14,15)11-4-2-1-3-10(11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2",C12H15F3N2,,,,,,MJBOPIADUICXHW-UHFFFAOYSA-N,,,,,,,,,,,
100.095.071,304-624-7,94277-41-5,Ethylbis(2-ethylhexyl)methylammonium bromide,"N,2-diethyl-N-(2-ethylhexyl)-N-methylhexan-1-aminium bromide",[Br-].CCCCC(CC)C[N+](C)(CC)CC(CC)CCCC,[Br-].CCCCC(CC)C[N+](C)(CC)CC(CC)CCCC,"InChI=1/C19H42N.BrH/c1-7-12-14-18(9-3)16-20(6,11-5)17-19(10-4)15-13-8-2;/h18-19H,7-17H2,1-6H3;1H/q+1;/p-1",C19H42N.Br,,,,,,XEMCPIMRPJPXEK-UHFFFAOYSA-M,,,,,,,,,,,
100.094.109,303-567-5,94200-86-9,3-[(1-methylethoxy)methyl]heptane,2-ethylhexyl isopropyl ether,CCCCC(CC)COC(C)C,CCCCC(CC)COC(C)C,"InChI=1/C11H24O/c1-5-7-8-11(6-2)9-12-10(3)4/h10-11H,5-9H2,1-4H3",C11H24O,,,,,,GQQHEKOOHGFEED-UHFFFAOYSA-N,,,,,,,,,,,
100.094.115,303-573-8,94200-93-8,"4-(1,1-dimethylpropyl)-ß-methylcyclohexanepropanol","3-[4-(1,1-dimethylpropyl)cyclohexyl]-2-methylpropan-1-ol",CCC(C)(C)C1CCC(CC(C)CO)CC1,CCC(C)(C)C1CCC(CC(C)CO)CC1,"InChI=1/C15H30O/c1-5-15(3,4)14-8-6-13(7-9-14)10-12(2)11-16/h12-14,16H,5-11H2,1-4H3",C15H30O,,,,,,VUDFQMZLNWAJIS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.117,303-575-9,94200-95-0,"a,a,3,3-tetramethylbicyclo[2.2.1]heptan-2-ethanol","1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-methylpropan-2-ol",CC(C)(O)CC1C2CCC(C2)C1(C)C,CC(C)(O)CC1C2CCC(C2)C1(C)C,"InChI=1/C13H24O/c1-12(2,14)8-11-9-5-6-10(7-9)13(11,3)4/h9-11,14H,5-8H2,1-4H3",C13H24O,,,,,,OTZFXUASISFDME-UHFFFAOYSA-N,,,,,,,,,,,
100.094.251,303-723-2,94213-21-5,"(2,3-epoxypropyl)ethylbis(2-hydroxyethyl)ammonium chloride",N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-N-(oxiran-2-ylmethyl)ethanaminium chloride,[Cl-].CC[N+](CCO)(CCO)CC1CO1,[Cl-].CC[N+](CCO)(CCO)CC1CO1,"InChI=1/C9H20NO3.ClH/c1-2-10(3-5-11,4-6-12)7-9-8-13-9;/h9,11-12H,2-8H2,1H3;1H/q+1;/p-1",C9H20NO3.Cl,,,,,,CYZBTLOUSPYJHS-UHFFFAOYSA-M,,,,,,,,,,,
100.094.252,303-724-8,94213-22-6,"2,3-dichloro-a-oxobenzeneacetaldehyde aldoxime","(2,3-dichlorophenyl)(oxo)acetaldehyde oxime",O\\N=C\\C(=O)c1cccc(Cl)c1Cl,O\N=C\C(=O)c1cccc(Cl)c1Cl,"InChI=1/C8H5Cl2NO2/c9-6-3-1-2-5(8(6)10)7(12)4-11-13/h1-4,13H",C8H5Cl2NO2,,,,,,GBXUIRJSFLHCIS-NYYWCZLTSA-N,,,,,,,,,,,
100.094.255,303-727-4,94213-25-9,"3-[cyano(2,5-dichlorophenyl)methylene]carbazamidine","2-[cyano(2,5-dichlorophenyl)methylene]hydrazinecarboximidamide",Clc1ccc(Cl)cc1C(=NNC(N)=N)C#N,Clc1ccc(Cl)cc1C(=NNC(N)=N)C#N,"InChI=1/C9H7Cl2N5/c10-5-1-2-7(11)6(3-5)8(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)",C9H7Cl2N5,,,,,,SDJPBBPBSADWBX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.256,303-729-5,94213-26-0,"Ethyl (S)-a-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate monohydrochloride","ethyl 3-{4-[bis(2-chloroethyl)amino]phenyl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate hydrochloride",Cl.CCOC(=O)[C@H](Cc1ccc(cc1)N(CCCl)CCCl)N2C(=O)c3ccccc3C2=O,Cl.CCOC(=O)[C@H](Cc1ccc(cc1)N(CCCl)CCCl)N2C(=O)c3ccccc3C2=O,"InChI=1/C23H24Cl2N2O4.ClH/c1-2-31-23(30)20(27-21(28)18-5-3-4-6-19(18)22(27)29)15-16-7-9-17(10-8-16)26(13-11-24)14-12-25;/h3-10,20H,2,11-15H2,1H3;1H",C23H24Cl2N2O4.ClH,,,,,,ZDMKHZBXBXPVCC-BDQAORGHSA-N,,,,,,,,,,,
100.094.257,303-730-0,94213-27-1,a-cyano-a-hydroxy-3-phenoxybenzyl acetate,cyano(hydroxy)(3-phenoxyphenyl)methyl acetate,CC(=O)OC(O)(C#N)c1cccc(Oc2ccccc2)c1,CC(=O)OC(O)(C#N)c1cccc(Oc2ccccc2)c1,"InChI=1/C16H13NO4/c1-12(18)21-16(19,11-17)13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-10,19H,1H3",C14H11NO2.C2H4O2,,,,,,JVQCKDMHSUNKRM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.260,303-733-7,94213-30-6,"2-[(5-amino-2-methylphenyl)methyl]benzene-1,3-diamine","2-(5-amino-2-methylbenzyl)benzene-1,3-diamine",Cc1ccc(N)cc1Cc2c(N)cccc2N,Cc1ccc(N)cc1Cc2c(N)cccc2N,"InChI=1/C14H17N3/c1-9-5-6-11(15)7-10(9)8-12-13(16)3-2-4-14(12)17/h2-7H,8,15-17H2,1H3",C14H17N3,,,,,,YMQZQNVOGOKUOP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.265,303-738-4,94213-35-1,"4-[(3-amino-2-methylphenyl)methyl]benzene-1,3-diamine","4-(3-amino-2-methylbenzyl)benzene-1,3-diamine",Cc1c(N)cccc1Cc2ccc(N)cc2N,Cc1c(N)cccc1Cc2ccc(N)cc2N,"InChI=1/C14H17N3/c1-9-10(3-2-4-13(9)16)7-11-5-6-12(15)8-14(11)17/h2-6,8H,7,15-17H2,1H3",C14H17N3,,,,,,HDQZYCGWMNCSNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.266,303-740-5,94213-36-2,2-[(5-isocyanato-2-methylphenyl)methyl]-m-phenylene diisocyanate,"1,3-diisocyanato-2-(5-isocyanato-2-methylbenzyl)benzene",Cc1ccc(cc1Cc2c(cccc2N=C=O)N=C=O)N=C=O,Cc1ccc(cc1Cc2c(cccc2N=C=O)N=C=O)N=C=O,"InChI=1/C17H11N3O3/c1-12-5-6-14(18-9-21)7-13(12)8-15-16(19-10-22)3-2-4-17(15)20-11-23/h2-7H,8H2,1H3",C17H11N3O3,,,,,,RYDGVOWJTFTKDR-UHFFFAOYSA-N,,,,,,,,,,,
100.094.269,303-743-1,94213-39-5,4-[(5-isocyanato-2-methylphenyl)methyl]-m-phenylene diisocyanate,"2-(2,4-diisocyanatobenzyl)-4-isocyanato-1-methylbenzene",Cc1ccc(cc1Cc2ccc(cc2N=C=O)N=C=O)N=C=O,Cc1ccc(cc1Cc2ccc(cc2N=C=O)N=C=O)N=C=O,"InChI=1/C17H11N3O3/c1-12-2-4-15(18-9-21)7-14(12)6-13-3-5-16(19-10-22)8-17(13)20-11-23/h2-5,7-8H,6H2,1H3",C17H11N3O3,,,,,,FCLSLHSWMAUISZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.270,303-744-7,94213-40-8,4-[(3-isocyanato-4-methylphenyl)methyl]-m-phenylene diisocyanate,"4-(2,4-diisocyanatobenzyl)-2-isocyanato-1-methylbenzene",Cc1ccc(cc1\\N=C=O)Cc2ccc(cc2\\N=C=O)\\N=C=O,Cc1ccc(cc1\N=C=O)Cc2ccc(cc2\N=C=O)\N=C=O,"InChI=1/C17H11N3O3/c1-12-2-3-13(7-16(12)19-10-22)6-14-4-5-15(18-9-21)8-17(14)20-11-23/h2-5,7-8H,6H2,1H3",C17H11N3O3,,,,,,RFDDEHIGNVULBM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.092,303-548-1,94200-69-8,"2-(3-chloro-2,4,6-trinitrophenoxy)phenol","2-(3-chloro-2,4,6-trinitrophenoxy)phenol",Oc1ccccc1Oc2c(cc(c(Cl)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],Oc1ccccc1Oc2c(cc(c(Cl)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H6ClN3O8/c13-10-6(14(18)19)5-7(15(20)21)12(11(10)16(22)23)24-9-4-2-1-3-8(9)17/h1-5,17H",C12H6ClN3O8,,,,,,HUVGOOBXOSSKNM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.103,303-560-7,94200-80-3,"Bis(4-amino-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxamidine) sulphate","4-amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboximidamide sulfate (2:1)",NC1C(=O)N(N=C1C(=N)N)c2ccccc2.NC3C(=O)N(N=C3C(=N)N)c4ccccc4.OS(=O)(=O)O,NC1C(=O)N(N=C1C(=N)N)c2ccccc2.NC3C(=O)N(N=C3C(=N)N)c4ccccc4.OS(=O)(=O)O,"InChI=1/2C10H11N5O.H2O4S/c2*11-7-8(9(12)13)14-15(10(7)16)6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5,7H,11H2,(H3,12,13);(H2,1,2,3,4)",C10H10N4O2.1/2H2O4S,,,,,,PGUQPWMRUMKVQG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.106,303-563-3,94200-83-6,"2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-4-[(4-hydroxyphenyl)azo]-3H-pyrazol-3-one","2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-{[4-(hexadecylsulfonyl)phenyl]amino}-4-[(4-hydroxyphenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one",ClC(F)C(F)(F)Oc1ccccc1N4/N=C(/Nc2ccc(cc2)S(=O)(=O)CCCCCCCCCCCCCCCC)C(N=Nc3ccc(O)cc3)C4=O,ClC(F)C(F)(F)Oc1ccccc1N4/N=C(/Nc2ccc(cc2)S(=O)(=O)CCCCCCCCCCCCCCCC)C(N=Nc3ccc(O)cc3)C4=O,"InChI=1/C39H49ClF3N5O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28-54(51,52)32-26-22-29(23-27-32)44-36-35(46-45-30-20-24-31(49)25-21-30)37(50)48(47-36)33-18-15-16-19-34(33)53-39(42,43)38(40)41/h15-16,18-27,35,38,49H,2-14,17,28H2,1H3,(H,44,47)",C39H49ClF3N5O5S,,,,,,YAYOZHIORSMUIN-UHFFFAOYSA-N,,,,,,,,,,,
100.095.059,304-611-6,94277-28-8,3-allyldecahydro-1-naphthol,3-allyldecahydronaphthalen-1-ol,OC1CC(CC=C)CC2CCCCC12,OC1CC(CC=C)CC2CCCCC12,"InChI=1/C13H22O/c1-2-5-10-8-11-6-3-4-7-12(11)13(14)9-10/h2,10-14H,1,3-9H2",C13H22O,,,,,,IGCAFXSCRZBGGT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.063,304-615-8,94277-32-4,Sodium bis(2-hydroxyhexadecyl) phosphate,sodium bis(2-hydroxyhexadecyl) phosphate,[Na+].CCCCCCCCCCCCCCC(O)COP(=O)([O-])OCC(O)CCCCCCCCCCCCCC,[Na+].CCCCCCCCCCCCCCC(O)COP(=O)([O-])OCC(O)CCCCCCCCCCCCCC,"InChI=1/C32H67O6P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(33)29-37-39(35,36)38-30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h31-34H,3-30H2,1-2H3,(H,35,36);/q;+1/p-1",C32H67O6P.Na,,,,,,VDHLWCWZVFZQLZ-UHFFFAOYSA-M,,,,,,,,,,,
100.095.064,304-616-3,94277-33-5,2-octyldodecyl heptanoate,2-octyldodecyl heptanoate,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCC,CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCC,"InChI=1/C27H54O2/c1-4-7-10-13-15-16-18-20-23-26(22-19-17-14-11-8-5-2)25-29-27(28)24-21-12-9-6-3/h26H,4-25H2,1-3H3",C27H54O2,,,,,,CJSAUJNKQOIYJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.066,304-618-4,94277-35-7,2-decyltetradecyl palmitate,2-decyltetradecyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC,"InChI=1/C40H80O2/c1-4-7-10-13-16-19-21-22-23-25-28-31-34-37-40(41)42-38-39(35-32-29-26-18-15-12-9-6-3)36-33-30-27-24-20-17-14-11-8-5-2/h39H,4-38H2,1-3H3",C40H80O2,,,,,,XCAUJCHNSFAEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.068,304-621-0,94277-37-9,Benzyltris(2-ethylhexyl)ammonium bromide,"N-benzyl-2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-aminium bromide",[Br-].CCCCC(CC)C[N+](CC(CC)CCCC)(CC(CC)CCCC)Cc1ccccc1,[Br-].CCCCC(CC)C[N+](CC(CC)CCCC)(CC(CC)CCCC)Cc1ccccc1,"InChI=1/C31H58N.BrH/c1-7-13-19-28(10-4)24-32(25-29(11-5)20-14-8-2,26-30(12-6)21-15-9-3)27-31-22-17-16-18-23-31;/h16-18,22-23,28-30H,7-15,19-21,24-27H2,1-6H3;1H/q+1;/p-1",C31H58N.Br,,,,,,IZSAOSUADAKHSW-UHFFFAOYSA-M,,,,,,,,,,,
100.095.073,304-626-8,94277-43-7,Benzylbis(2-ethylhexyl)methylammonium bromide,N-benzyl-2-ethyl-N-(2-ethylhexyl)-N-methylhexan-1-aminium bromide,[Br-].CCCCC(CC)C[N+](C)(CC(CC)CCCC)Cc1ccccc1,[Br-].CCCCC(CC)C[N+](C)(CC(CC)CCCC)Cc1ccccc1,"InChI=1/C24H44N.BrH/c1-6-10-15-22(8-3)19-25(5,20-23(9-4)16-11-7-2)21-24-17-13-12-14-18-24;/h12-14,17-18,22-23H,6-11,15-16,19-21H2,1-5H3;1H/q+1;/p-1",C24H44N.Br,,,,,,ZZYDXWLLCKSOSN-UHFFFAOYSA-M,,,,,,,,,,,
100.094.108,303-565-4,94200-85-8,"2,3-bis[(1-oxooctyl)oxy]propyl palmitate","2,3-bis(octanoyloxy)propyl palmitate",CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,"InChI=1/C35H66O6/c1-4-7-10-13-14-15-16-17-18-19-20-23-25-28-34(37)40-31-32(41-35(38)29-26-22-12-9-6-3)30-39-33(36)27-24-21-11-8-5-2/h32H,4-31H2,1-3H3",C35H66O6,,,,,,DOGUBKIAUPWEJM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.113,303-571-7,94200-91-6,"8-(1,1-dimethylpropyl)-3-methyl-1-oxaspiro[4.5]decan-2-one","8-(1,1-dimethylpropyl)-3-methyl-1-oxaspiro[4.5]decan-2-one",CCC(C)(C)C1CCC2(CC1)CC(C)C(=O)O2,CCC(C)(C)C1CCC2(CC1)CC(C)C(=O)O2,"InChI=1/C15H26O2/c1-5-14(3,4)12-6-8-15(9-7-12)10-11(2)13(16)17-15/h11-12H,5-10H2,1-4H3",C15H26O2,,,,,,SOKIHGCFUGVTCI-UHFFFAOYSA-N,,,,,,,,,,,
100.094.250,303-722-7,94213-20-4,Diethylbis(2-hydroxyethyl)ammonium ethyl sulphate,"N,N-diethyl-2-hydroxy-N-(2-hydroxyethyl)ethanaminium ethyl sulfate",CCOS(=O)(=O)[O-].CC[N+](CC)(CCO)CCO,CCOS(=O)(=O)[O-].CC[N+](CC)(CCO)CCO,"InChI=1/C8H20NO2.C2H6O4S/c1-3-9(4-2,5-7-10)6-8-11;1-2-6-7(3,4)5/h10-11H,3-8H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C8H20NO2.C2H5O4S,,,,,,FYAFAKJTJQQWFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.094.258,303-731-6,94213-28-2,4-isocyanato-2-[(2-isocyanatocyclohexyl)methyl]-1-methylcyclohexane,4-isocyanato-2-[(2-isocyanatocyclohexyl)methyl]-1-methylcyclohexane,CC1CCC(CC1CC2CCCCC2N=C=O)N=C=O,CC1CCC(CC1CC2CCCCC2N=C=O)N=C=O,"InChI=1/C16H24N2O2/c1-12-6-7-15(17-10-19)9-14(12)8-13-4-2-3-5-16(13)18-11-20/h12-16H,2-9H2,1H3",C16H24N2O2,,,,,,CCDZNBDQBSSRAO-UHFFFAOYSA-N,,,,,,,,,,,
100.079.737,287-741-5,85567-27-7,"4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethyl-2-butenyl acetate","4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethylbut-2-en-1-yl acetate",CC2(C)C1CCC(C1)C2CC=C(CC)COC(C)=O,CC2(C)C1CCC(C1)C2CC=C(CC)COC(C)=O,"InChI=1/C17H28O2/c1-5-13(11-19-12(2)18)6-9-16-14-7-8-15(10-14)17(16,3)4/h6,14-16H,5,7-11H2,1-4H3",C17H28O2,,,,,,KPCGWZMBVFNLCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.082.397,290-671-8,90201-28-8,Ethyl 3-(ethylthio)butyrate,ethyl 3-(ethylsulfanyl)butanoate,CCOC(=O)CC(C)SCC,CCOC(=O)CC(C)SCC,"InChI=1/C8H16O2S/c1-4-10-8(9)6-7(3)11-5-2/h7H,4-6H2,1-3H3",C8H16O2S,,,,,,JMXMTQDOJYBDSL-UHFFFAOYSA-N,,,,,,,,,,,
100.079.742,287-746-2,85567-32-4,"3,3-dimethylbicyclo[2.2.1]heptane-2-butyronitrile","4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)butanenitrile",CC1(C)C2CCC(C2)C1CCCC#N,CC1(C)C2CCC(C2)C1CCCC#N,"InChI=1/C13H21N/c1-13(2)11-7-6-10(9-11)12(13)5-3-4-8-14/h10-12H,3-7,9H2,1-2H3",C13H21N,,,,,,FUWRDISUIDPNNF-UHFFFAOYSA-N,,,,,,,,,,,
100.079.743,287-747-8,85567-33-5,"3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propiononitrile","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propanenitrile",CC1(C)C2CCC(C2)C1CCC#N,CC1(C)C2CCC(C2)C1CCC#N,"InChI=1/C12H19N/c1-12(2)10-6-5-9(8-10)11(12)4-3-7-13/h9-11H,3-6,8H2,1-2H3",C12H19N,,,,,,FLEZSMIKDUKERR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.749,287-754-6,85567-41-5,3-hydroxy-N-propylpyridine-2-carboxamide,3-hydroxy-N-propylpyridine-2-carboxamide,CCCNC(=O)c1ncccc1O,CCCNC(=O)c1ncccc1O,"InChI=1/C9H12N2O2/c1-2-5-11-9(13)8-7(12)4-3-6-10-8/h3-4,6,12H,2,5H2,1H3,(H,11,13)",C9H12N2O2,,,,,,ZUALYAKXSGNPKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.266,289-424-7,88542-82-9,"Phosphoric acid, dodecyl ester, compd. with morpholine",dodecyl dihydrogen phosphate - morpholine (1:1),CCCCCCCCCCCCOP(=O)(O)O.C1COCCN1,CCCCCCCCCCCCOP(=O)(O)O.C1COCCN1,"InChI=1/C12H27O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-6-4-2-5-1/h2-12H2,1H3,(H2,13,14,15);5H,1-4H2",-,,,,,,ZJUQAKSRPKVGEA-UHFFFAOYSA-N,,,,,,,,,,,
100.081.267,289-425-2,88569-30-6,"Ethyl 1-amino-7-chloro-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate","ethyl 1-amino-7-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate",CCOC(=O)C1=CN(N)c2cc(Cl)c(F)cc2C1=O,CCOC(=O)C1=CN(N)c2cc(Cl)c(F)cc2C1=O,"InChI=1/C12H10ClFN2O3/c1-2-19-12(18)7-5-16(15)10-4-8(13)9(14)3-6(10)11(7)17/h3-5H,2,15H2,1H3",C12H10ClFN2O3,,,,,,QXKFZOWUCALDEX-UHFFFAOYSA-N,,,,,,,,,,,
100.081.268,289-426-8,88569-33-9,"Ethyl 7-chloro-6-fluoro-1-(formylamino)-1,4-dihydro-4-oxoquinoline-3-carboxylate","ethyl 7-chloro-6-fluoro-1-formamido-4-oxo-1,4-dihydroquinoline-3-carboxylate",CCOC(=O)C1=CN(NC=O)c2cc(Cl)c(F)cc2C1=O,CCOC(=O)C1=CN(NC=O)c2cc(Cl)c(F)cc2C1=O,"InChI=1/C13H10ClFN2O4/c1-2-21-13(20)8-5-17(16-6-18)11-4-9(14)10(15)3-7(11)12(8)19/h3-6H,2H2,1H3,(H,16,18)",C13H10ClFN2O4,,,,,,JSRUDJNKLVNSGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.082.621,290-917-4,90284-53-0,"5-acetyl-10,11-dihydro-5H-dibenz[b,f]azepine nitrate","5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepine nitrate",CC(=O)N1c2ccccc2CCc3ccccc13.O[N+](=O)[O-],CC(=O)N1c2ccccc2CCc3ccccc13.O[N+](=O)[O-],"InChI=1/C16H15NO.HNO3/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17;2-1(3)4/h2-9H,10-11H2,1H3;(H,2,3,4)",C16H15NO.HNO3,,,,,,ICNWPNRZMWPYLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.282,289-442-5,88725-29-5,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)hexanamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)hexanamide",CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(Cl)c(C)c(Cl)c2O,CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc2cc(Cl)c(C)c(Cl)c2O,"InChI=1/C29H41Cl2NO3/c1-9-12-13-24(27(34)32-22-17-21(30)18(4)25(31)26(22)33)35-23-15-14-19(28(5,6)10-2)16-20(23)29(7,8)11-3/h14-17,24,33H,9-13H2,1-8H3,(H,32,34)",C29H41Cl2NO3,,,,,,VXHIWXYHLJWULK-UHFFFAOYSA-N,,,,,,,,,,,
100.081.283,289-443-0,88738-63-0,2-chloro-4-(dimethylamino)benzaldehyde 1-naphthylphenylhydrazone,"3-chloro-N,N-dimethyl-4-[1-naphthyl(phenyl)carbonohydrazonoyl]aniline",CN(C)c1ccc(\\C=N\\N(c2ccccc2)c3cccc4ccccc34)c(Cl)c1,CN(C)c1ccc(\C=N\N(c2ccccc2)c3cccc4ccccc34)c(Cl)c1,"InChI=1/C25H22ClN3/c1-28(2)22-16-15-20(24(26)17-22)18-27-29(21-11-4-3-5-12-21)25-14-8-10-19-9-6-7-13-23(19)25/h3-18H,1-2H3",C25H22ClN3,,,,,,NGOFSBGITLANCF-OVVQPSECSA-N,,,,,,,,,,,
100.081.284,289-444-6,88738-70-9,4-(1-pyrrolidinyl)benzaldehyde 1-naphthylphenylhydrazone,1-{4-[1-naphthyl(phenyl)carbonohydrazonoyl]phenyl}pyrrolidine,C1CCN(C1)c2ccc(\\C=N\\N(c3ccccc3)c4cccc5ccccc45)cc2,C1CCN(C1)c2ccc(\C=N\N(c3ccccc3)c4cccc5ccccc45)cc2,"InChI=1/C27H25N3/c1-2-11-25(12-3-1)30(27-14-8-10-23-9-4-5-13-26(23)27)28-21-22-15-17-24(18-16-22)29-19-6-7-20-29/h1-5,8-18,21H,6-7,19-20H2",C27H25N3,,,,,,WDLSFCHWUWCFMD-SGWCAAJKSA-N,,,,,,,,,,,
100.081.286,289-446-7,88793-79-7,"N-(p-nitrophenyl)-N-(p-tolylsulphonyl)glycyl-L-prolyl-L-lysinamide, monoacetate",N-[(4-methylphenyl)sulfonyl]-N-(4-nitrophenyl)glycyl-L-prolyl-L-lysinamide acetate,CC(=O)O.Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N)c3ccc(cc3)[N+](=O)[O-],CC(=O)O.Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N)c3ccc(cc3)[N+](=O)[O-],"InChI=1/C26H34N6O7S.C2H4O2/c1-18-7-13-21(14-8-18)40(38,39)31(19-9-11-20(12-10-19)32(36)37)17-24(33)30-16-4-6-23(30)26(35)29-22(25(28)34)5-2-3-15-27;1-2(3)4/h7-14,22-23H,2-6,15-17,27H2,1H3,(H2,28,34)(H,29,35);1H3,(H,3,4)",C26H34N6O7S.C2H4O2,,,,,,XBTWIAVOYHVACN-SJEIDVEUSA-N,,,,,,,,,,,
100.081.288,289-448-8,88800-93-5,Ethylindanol,1-ethylindan-1-ol,CCC1(O)CCc2ccccc12,CCC1(O)CCc2ccccc12,"InChI=1/C11H14O/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h3-6,12H,2,7-8H2,1H3",C11H14O,,,,,,ORIMZVQZPYTJKI-UHFFFAOYSA-N,,,,,,,,,,,
100.092.315,301-593-1,94022-98-7,"a,a,a-trifluoro-2-(2-iodoethyl)toluene",1-(2-iodoethyl)-2-(trifluoromethyl)benzene,FC(F)(F)c1ccccc1CCI,FC(F)(F)c1ccccc1CCI,"InChI=1/C9H8F3I/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5-6H2",C9H8F3I,,,,,,HIPIOCUVIHLDIP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.319,301-597-3,94023-02-6,"2-ethylhexyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)","2-ethylhexyl dihydrogen phosphate - 2,2'-iminodiethanol (1:2)",O=P(O)(O)OCC(CCCC)CC.OCCNCCO.OCCNCCO,O=P(O)(O)OCC(CCCC)CC.OCCNCCO.OCCNCCO,"InChI=1/C8H19O4P.2C4H11NO2/c1-3-5-6-8(4-2)7-12-13(9,10)11;2*6-3-1-5-2-4-7/h8H,3-7H2,1-2H3,(H2,9,10,11);2*5-7H,1-4H2",C8H19O4P.2C4H11NO2,,,,,,LJAHVCSVFTVDAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.262,298-235-9,93783-35-8,"1-(2-aminoethyl)-2-henicosyl-4,5-dihydro-3-methyl-1H-imidazolium methyl sulphate",1-(2-aminoethyl)-2-henicosyl-3-methylimidazolidin-1-ium methyl sulfate,CCCCCCCCCCCCCCCCCCCCCC1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCCCCC1N(C)CC[NH+]1CCN.COS(=O)(=O)[O-],"InChI=1/C27H57N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-29(2)25-26-30(27)24-23-28;1-5-6(2,3)4/h27H,3-26,28H2,1-2H3;1H3,(H,2,3,4)",C27H56N3.CH3O4S,,,,,,UCUYODDPBKQZFR-UHFFFAOYSA-N,,,,,,,,,,,
100.089.265,298-239-0,93783-41-6,"1-(2-aminoethyl)-3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate",1-(2-aminoethyl)-3-ethyl-2-heptadecylimidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCCCCCCCC1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],"InChI=1/C24H51N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26(4-2)22-23-27(24)21-20-25;1-2-6-7(3,4)5/h24H,3-23,25H2,1-2H3;2H2,1H3,(H,3,4,5)",C24H50N3.C2H5O4S,,,,,,VCLDENADWOLBDO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.268,298-242-7,93783-46-1,"1-(2-aminoethyl)-3-ethyl-4,5-dihydro-2-undecyl-1H-imidazolium ethyl sulphate",1-(2-aminoethyl)-3-ethyl-2-undecylimidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCC1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],CCCCCCCCCCCC1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],"InChI=1/C18H39N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-18-20(4-2)16-17-21(18)15-14-19;1-2-6-7(3,4)5/h18H,3-17,19H2,1-2H3;2H2,1H3,(H,3,4,5)",C18H38N3.C2H5O4S,,,,,,TXZUIJVOIARQDX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.269,298-243-2,93783-47-2,"1-(2-aminoethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium chloride",1-(2-aminoethyl)-3-(2-hydroxyethyl)-2-pentadecylimidazolidin-1-ium chloride,[Cl-].CCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCN,[Cl-].CCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCN,"InChI=1/C22H47N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-24(17-16-23)18-19-25(22)20-21-26;/h22,26H,2-21,23H2,1H3;1H",C22H46N3O.Cl,,,,,,SKDDAENDPDGJFI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.272,298-246-9,93783-51-8,"1-(2-aminoethyl)-3-ethyl-4,5-dihydro-2-pentadecyl-1H-imidazolium ethyl sulphate",1-(2-aminoethyl)-3-ethyl-2-pentadecylimidazolidin-1-ium ethyl sulfate,CCCCCCCCCCCCCCCC1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],CCCCCCCCCCCCCCCC1N(CC)CC[NH+]1CCN.CCOS(=O)(=O)[O-],"InChI=1/C22H47N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24(4-2)20-21-25(22)19-18-23;1-2-6-7(3,4)5/h22H,3-21,23H2,1-2H3;2H2,1H3,(H,3,4,5)",C22H46N3.C2H5O4S,,,,,,SASKDJHQXDPUGI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.189,300-354-9,93926-61-5,Dipotassium trichlorofluoroferrate(2-),dipotassium trichloro(fluoro)ferrate(2-),[K+].[K+].F[Fe-2](Cl)(Cl)Cl,[K+].[K+].F[Fe-2](Cl)(Cl)Cl,"InChI=1/3ClH.FH.Fe.2K/h4*1H;;;/q;;;;+4;2*+1/p-4/rCl3FFe.2K/c1-5(2,3)4;;/q;2*+1",Cl3FFe.2K,,,,,,TVOXNLODGZZGAU-UHFFFAOYSA-J,,,,,,,,,,,
100.091.202,300-369-0,93939-79-8,"Sodium (Z)-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate","sodium cyclohexa-1,4-dien-1-yl[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate",[Na+].COC(=O)\\C=C(\\C)/NC(C(=O)[O-])C1=CCC=CC1,[Na+].COC(=O)\C=C(\C)/NC(C(=O)[O-])C1=CCC=CC1,"InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1",C13H17NO4.Na,,,,,,XWVDGMIXJIIFTO-UOQXYWCXSA-M,,,,,,,,,,,
100.092.331,301-610-2,94023-14-0,Disodium 7-(acetylamino)-4-hydroxy-3-[[2-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,disodium 7-acetamido-4-hydroxy-3-({2-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S([O-])(=O)=O)c(C)c4,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc4ccc(N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S([O-])(=O)=O)c(C)c4,"InChI=1/C25H21N5O8S2.2Na/c1-14-11-19(28-27-17-3-7-20(8-4-17)39(33,34)35)6-10-22(14)29-30-24-23(40(36,37)38)13-16-12-18(26-15(2)31)5-9-21(16)25(24)32;;/h3-13,32H,1-2H3,(H,26,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C25H21N5O8S2.2Na,,,,,,AGXLHZIQAMAYBI-UHFFFAOYSA-L,,,,,,,,,,,
100.092.335,301-614-4,94023-18-4,"Octasodium [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","octasodium {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.8Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;/q;8*+1/p-8",C10H28N2O12P4.8Na,,,,,,DGCKJBZTJPQAPT-UHFFFAOYSA-F,,,,,,,,,,,
100.099.874,309-935-1,101377-34-8,"1,19-bis(oxiranyl)-8,16-bis(oxiranylmethoxy)-2,6,10,14,18-pentaoxanonadecane-4,12-diol","1,19-dioxiran-2-yl-8,16-bis(oxiran-2-ylmethoxy)-2,6,10,14,18-pentaoxanonadecane-4,12-diol",OC(COCC(COCC(O)COCC1CO1)OCC2CO2)COCC(COCC3CO3)OCC4CO4,OC(COCC(COCC(O)COCC1CO1)OCC2CO2)COCC(COCC3CO3)OCC4CO4,"InChI=1/C24H42O13/c25-17(2-29-7-20(33-14-24-16-37-24)8-31-10-22-12-35-22)1-27-5-19(32-13-23-15-36-23)6-28-3-18(26)4-30-9-21-11-34-21/h17-26H,1-16H2",C24H42O13,,,,,,VEGNIXCUDMQGFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.878,304-412-4,94266-06-5,"Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","diethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCCCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC,CCCCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC,"InChI=1/C17H27NO4/c1-6-9-10-13-14(16(19)21-7-2)11(4)18-12(5)15(13)17(20)22-8-3/h13,18H,6-10H2,1-5H3",C17H27NO4,,,,,,ZGAVXRFBMMMOJP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.885,304-420-8,94266-15-6,"2-[2-(decyloxy)phenyl]-1-[2-[2-(decyloxy)phenyl]-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole","2,2'-bis[2-(decyloxy)phenyl]-4,4',5,5'-tetraphenyl-2'H-1,2'-biimidazole",CCCCCCCCCCOc1ccccc1c2nc(c3ccccc3)c(c4ccccc4)n2C5(N=C(C(=N5)c6ccccc6)c7ccccc7)c8ccccc8OCCCCCCCCCC,CCCCCCCCCCOc1ccccc1c2nc(c3ccccc3)c(c4ccccc4)n2C5(N=C(C(=N5)c6ccccc6)c7ccccc7)c8ccccc8OCCCCCCCCCC,"InChI=1/C62H70N4O2/c1-3-5-7-9-11-13-15-33-47-67-55-45-31-29-43-53(55)61-63-59(51-39-25-19-26-40-51)60(52-41-27-20-28-42-52)66(61)62(54-44-30-32-46-56(54)68-48-34-16-14-12-10-8-6-4-2)64-57(49-35-21-17-22-36-49)58(65-62)50-37-23-18-24-38-50/h17-32,35-46H,3-16,33-34,47-48H2,1-2H3",C62H70N4O2,,,,,,NACLRLKJUHDKIR-UHFFFAOYSA-N,,,,,,,,,,,
100.095.108,304-665-0,94277-81-3,"Tritetradecyl 2-hydroxypropane-1,2,3-tricarboxylate",tritetradecyl citrate,CCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCC,CCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCC,"InChI=1/C48H92O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-53-45(49)43-48(52,47(51)55-42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-46(50)54-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h52H,4-44H2,1-3H3",C48H92O7,,,,,,JZSVJKNORISSFL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.112,304-669-2,94277-85-7,Tripropylammonium p-toluenesulphonate,"N,N-dipropylpropan-1-aminium 4-methylbenzenesulfonate",CCC[NH+](CCC)CCC.Cc1ccc(cc1)S(=O)(=O)[O-],CCC[NH+](CCC)CCC.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C9H21N.C7H8O3S/c1-4-7-10(8-5-2)9-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H2,1-3H3;2-5H,1H3,(H,8,9,10)",C9H21N.C7H8O3S,,,,,,CAHOMLASTRRCCB-UHFFFAOYSA-N,,,,,,,,,,,
100.095.121,304-679-7,94277-94-8,Dipotassium dihydrogen [(hexylimino)bis(methylene)]bisphosphonate,dipotassium dihydrogen [(hexylimino)bis(methylene)]bis(phosphonate),[K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H21NO6P2.2K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-4",C8H21NO6P2.2K,,,,,,WVBWSJHNYYSQPK-UHFFFAOYSA-J,,,,,,,,,,,
100.096.631,306-345-6,97158-16-2,Barium hexabromosilicate(2-),barium hexabromosilicate(2-),[Ba+2].Br[Si-2](Br)(Br)(Br)(Br)Br,[Ba+2].Br[Si-2](Br)(Br)(Br)(Br)Br,"InChI=1/Ba.Br6Si/c;1-7(2,3,4,5)6/q+2;-2",Ba.Br6Si,,,,,,FJWDRUWXRXBQKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.279,303-754-1,94213-49-7,"2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:4)","4-hydroxy-7-[({5-hydroxy-6-[(2-methoxy-4-sulfophenyl)diazenyl]-7-sulfo-2-naphthyl}carbamoyl)amino]-3-[(6-sulfo-2-naphthyl)diazenyl]naphthalene-2-sulfonic acid - 2,2',2''-nitrilotriethanol (1:4)",OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.COc7cc(ccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S(O)(=O)=O)ccc5c6O)S(O)(=O)=O)S(O)(=O)=O.OCCN(CCO)CCO,OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.COc7cc(ccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S(O)(=O)=O)ccc5c6O)S(O)(=O)=O)S(O)(=O)=O.OCCN(CCO)CCO,"InChI=1/C38H28N6O16S4.4C6H15NO3/c1-60-31-18-27(62(51,52)53)8-11-30(31)42-44-35-33(64(57,58)59)17-22-14-24(6-10-29(22)37(35)46)40-38(47)39-23-5-9-28-21(13-23)16-32(63(54,55)56)34(36(28)45)43-41-25-4-2-20-15-26(61(48,49)50)7-3-19(20)12-25;4*8-4-1-7(2-5-9)3-6-10/h2-18,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);4*8-10H,1-6H2",C38H28N6O16S4.4C6H15NO3,,,,,,JKERFTOGNXQUNB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.287,303-763-0,94213-58-8,"(3,3-dimethoxy-2,2-dimethylpropyl)cyclohexane","(3,3-dimethoxy-2,2-dimethylpropyl)cyclohexane",COC(OC)C(C)(C)CC1CCCCC1,COC(OC)C(C)(C)CC1CCCCC1,"InChI=1/C13H26O2/c1-13(2,12(14-3)15-4)10-11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3",C13H26O2,,,,,,WPUQECAAGCCMEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.288,303-764-6,94213-59-9,"9-isopropyl-2-methyl-1,5-dioxaspiro[5.5]undecane","9-isopropyl-2-methyl-1,5-dioxaspiro[5.5]undecane",CC(C)C1CCC2(CC1)OCCC(C)O2,CC(C)C1CCC2(CC1)OCCC(C)O2,"InChI=1/C13H24O2/c1-10(2)12-4-7-13(8-5-12)14-9-6-11(3)15-13/h10-12H,4-9H2,1-3H3",C13H24O2,,,,,,IEETZJSBEFIQRM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.293,303-769-3,94213-64-6,"1-octadecyl hydrogen 2-sulphosuccinate, compound with 2,2'-iminobis[ethanol] (1:2)","4-(octadecyloxy)-4-oxo-3-sulfobutanoic acid - 2,2'-iminodiethanol (1:2)",CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO,CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO,"InChI=1/C22H42O7S.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;2*6-3-1-5-2-4-7/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*5-7H,1-4H2",C22H42O7S.2C4H11NO2,,,,,,FTXRQQSUASHMKC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.272,303-746-8,94213-42-0,Ethyl 2-nitro-3-phenyl-L-alaninate,ethyl alpha-nitro-L-phenylalaninate,CCOC(=O)[C@@](N)(Cc1ccccc1)[N+](=O)[O-],CCOC(=O)[C@@](N)(Cc1ccccc1)[N+](=O)[O-],"InChI=1/C11H14N2O4/c1-2-17-10(14)11(12,13(15)16)8-9-6-4-3-5-7-9/h3-7H,2,8,12H2,1H3",C11H14N2O4,,,,,,LVYBWCGMATWZRF-LLVKDONJSA-N,,,,,,,,,,,
100.099.873,309-934-6,101377-33-7,"1,27-bis(oxiranyl)-8,16,24-tris(oxiranylmethoxy)-2,6,10,14,18,22,26-heptaoxaheptacosane-4,12,20-triol","1,27-dioxiran-2-yl-8,16,24-tris(oxiran-2-ylmethoxy)-2,6,10,14,18,22,26-heptaoxaheptacosane-4,12,20-triol",OC(COCC(COCC(O)COCC(COCC1CO1)OCC2CO2)OCC3CO3)COCC(COCC(O)COCC4CO4)OCC5CO5,OC(COCC(COCC(O)COCC(COCC1CO1)OCC2CO2)OCC3CO3)COCC(COCC(O)COCC4CO4)OCC5CO5,"InChI=1/C33H58O18/c34-23(2-38-9-27(45-18-32-21-50-32)10-40-5-25(36)6-42-13-29-15-47-29)1-37-7-26(44-17-31-20-49-31)8-39-3-24(35)4-41-11-28(46-19-33-22-51-33)12-43-14-30-16-48-30/h23-36H,1-22H2",C33H58O18,,,,,,PGPNHSXRNWRZOB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.875,304-409-8,94266-03-2,"tert-butyl ethyl 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","tert-butyl ethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(C)NC(=C(C1CC)C(=O)OC(C)(C)C)C,CCOC(=O)C1=C(C)NC(=C(C1CC)C(=O)OC(C)(C)C)C,"InChI=1/C17H27NO4/c1-8-12-13(15(19)21-9-2)10(3)18-11(4)14(12)16(20)22-17(5,6)7/h12,18H,8-9H2,1-7H3",C17H27NO4,,,,,,USGTYZQEEZQSHH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.884,304-419-2,94266-14-5,"Ammonium 4-[4-[3-[4-(dimethylamino)phenyl]-2-propenylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","ammonium 4-(4-{3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate",[NH4+].CN(C)c1ccc(cc1)C=CC=C3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,[NH4+].CN(C)c1ccc(cc1)C=CC=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O,"InChI=1/C21H21N3O4S.H3N/c1-15-20(6-4-5-16-7-9-17(10-8-16)23(2)3)21(25)24(22-15)18-11-13-19(14-12-18)29(26,27)28;/h4-14H,1-3H3,(H,26,27,28);1H3",C21H21N3O4S.H3N,,,,,,IIKXOIFBLJKRKW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.886,304-421-3,94266-16-7,"Cobalt(2+) potassium 2-hydroxypropane-1,2,3-tricarboxylate",cobalt(2+) potassium citrate,[K+].[Co+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[K+].[Co+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Co.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+2;+1/p-3",C6H8O7.xCo.xK,,,,,,WSBSFRLACYCACI-UHFFFAOYSA-K,,,,,,,,,,,
100.095.109,304-666-6,94277-82-4,Tridocosyl citrate,tridocosyl citrate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C72H140O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-77-69(73)67-72(76,71(75)79-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-70(74)78-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h76H,4-68H2,1-3H3",C72H140O7,,,,,,HITKLFKAGHPBFY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.111,304-668-7,94277-84-6,1-(butoxymethyl)-3-octadecylurea,1-(butoxymethyl)-3-octadecylurea,CCCCCCCCCCCCCCCCCCNC(=O)NCOCCCC,CCCCCCCCCCCCCCCCCCNC(=O)NCOCCCC,"InChI=1/C24H50N2O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)26-23-28-22-6-4-2/h3-23H2,1-2H3,(H2,25,26,27)",C24H50N2O2,,,,,,HWSGWVHMCJKESQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.118,304-676-0,94277-91-5,"6-(2-methoxyethoxy)-6-octadecyl-2,5,7,10-tetraoxa-6-silaundecane","6-(2-methoxyethoxy)-6-octadecyl-2,5,7,10-tetraoxa-6-silaundecane",CCCCCCCCCCCCCCCCCC[Si](OCCOC)(OCCOC)OCCOC,CCCCCCCCCCCCCCCCCC[Si](OCCOC)(OCCOC)OCCOC,"InChI=1/C27H58O6Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-34(31-24-21-28-2,32-25-22-29-3)33-26-23-30-4/h5-27H2,1-4H3",C27H58O6Si,,,,,,WDWQURYXUCLBHM-UHFFFAOYSA-N,,,,,,,,,,,
100.095.123,304-681-8,94277-96-0,Tripotassium hydrogen [(hexylimino)bis(methylene)]bisphosphonate,tripotassium hydrogen [(hexylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H21NO6P2.3K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;;/q;3*+1/p-4",C8H21NO6P2.3K,,,,,,WKNDOMMWXONICR-UHFFFAOYSA-J,,,,,,,,,,,
100.094.276,303-751-5,94213-46-4,"4'-bromo-a-(4-chlorophenyl)-a-ethyl[1,1'-biphenyl]-4-methanol",1-(4'-bromobiphenyl-4-yl)-1-(4-chlorophenyl)propan-1-ol,CCC(O)(c1ccc(Cl)cc1)c2ccc(cc2)c3ccc(Br)cc3,CCC(O)(c1ccc(Cl)cc1)c2ccc(cc2)c3ccc(Br)cc3,"InChI=1/C21H18BrClO/c1-2-21(24,18-9-13-20(23)14-10-18)17-7-3-15(4-8-17)16-5-11-19(22)12-6-16/h3-14,24H,2H2,1H3",C21H18BrClO,,,,,,LEAKGJUKXLUPJY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.285,303-760-4,94213-56-6,2-octadecylfumaric acid,2-octadecylbut-2-enedioic acid,CCCCCCCCCCCCCCCCCC\\C(=C/C(=O)O)\\C(=O)O,CCCCCCCCCCCCCCCCCC\C(=C/C(=O)O)\C(=O)O,"InChI=1/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h19H,2-18H2,1H3,(H,23,24)(H,25,26)",C22H40O4,,,,,,DORSXXCBNVVKKP-FMQUCBEESA-N,,,,,,,,,,,
100.081.295,289-456-1,88965-53-1,N-(2-amino-5-benzoylphenyl)propane-1-sulphonamide,N-(2-amino-5-benzoylphenyl)propane-1-sulfonamide,CCCS(=O)(=O)Nc1cc(ccc1N)C(=O)c2ccccc2,CCCS(=O)(=O)Nc1cc(ccc1N)C(=O)c2ccccc2,"InChI=1/C16H18N2O3S/c1-2-10-22(20,21)18-15-11-13(8-9-14(15)17)16(19)12-6-4-3-5-7-12/h3-9,11,18H,2,10,17H2,1H3",C16H18N2O3S,,,,,,ANPFMRPEXKODMN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.300,289-461-9,89026-22-2,Tris(2-hydroxyethyl)ammonium (2-naphthyloxy)acetate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium (2-naphthyloxy)acetate",OCC[NH+](CCO)CCO.[O-]C(=O)COc1ccc2ccccc2c1,OCC[NH+](CCO)CCO.[O-]C(=O)COc1ccc2ccccc2c1,"InChI=1/C12H10O3.C6H15NO3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;8-4-1-7(2-5-9)3-6-10/h1-7H,8H2,(H,13,14);8-10H,1-6H2",C12H10O3.C6H15NO3,,,,,,ZWGDPPZBIBCVLL-UHFFFAOYSA-N,,,,,,,,,,,
100.081.311,289-473-4,89138-27-2,"2-(allyloxy)ethyl 3,5-dicyano-4-[[4-[ethyl(3-methoxy-3-oxopropyl)amino]phenyl]azo]benzoate","2-(allyloxy)ethyl 3,5-dicyano-4-({4-[ethyl(3-methoxy-3-oxopropyl)amino]phenyl}diazenyl)benzoate",COC(=O)CCN(CC)c2ccc(N=Nc1c(cc(cc1C#N)C(=O)OCCOCC=C)C#N)cc2,COC(=O)CCN(CC)c2ccc(N=Nc1c(cc(cc1C#N)C(=O)OCCOCC=C)C#N)cc2,"InChI=1/C26H27N5O5/c1-4-12-35-13-14-36-26(33)19-15-20(17-27)25(21(16-19)18-28)30-29-22-6-8-23(9-7-22)31(5-2)11-10-24(32)34-3/h4,6-9,15-16H,1,5,10-14H2,2-3H3",C26H27N5O5,,,,,,SMYWZSKDBBOBMU-UHFFFAOYSA-N,,,,,,,,,,,
100.081.318,289-481-8,89229-91-4,<U+03B3>-methyl-1H-indole-3-propanol,3-(1H-indol-3-yl)butan-1-ol,CC(CCO)c1c[nH]c2ccccc12,CC(CCO)c1c[nH]c2ccccc12,"InChI=1/C12H15NO/c1-9(6-7-14)11-8-13-12-5-3-2-4-10(11)12/h2-5,8-9,13-14H,6-7H2,1H3",C12H15NO,,,,,,DBLCQDJUAPOYPD-UHFFFAOYSA-N,,,,,,,,,,,
100.081.321,289-484-4,89285-03-0,1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate,3-({[(4-amino-2-methylpyrimidin-5-yl)methyl]carbamothioyl}sulfanyl)-4-oxopentyl acetate,CC(=O)OCCC(SC(=S)NCc1cnc(C)nc1N)C(=O)C,CC(=O)OCCC(SC(=S)NCc1cnc(C)nc1N)C(=O)C,"InChI=1/C14H20N4O3S2/c1-8(19)12(4-5-21-10(3)20)23-14(22)17-7-11-6-16-9(2)18-13(11)15/h6,12H,4-5,7H2,1-3H3,(H,17,22)(H2,15,16,18)",C14H20N4O3S2,,,,,,KGQSETSDUBYCAU-UHFFFAOYSA-N,,,,,,,,,,,
100.081.330,289-494-9,89347-16-0,"4,4'-(dichloromethylene)bisphenyl diacetate","(dichloromethylene)di-4,1-phenylene diacetate",CC(=O)Oc1ccc(cc1)C(Cl)(Cl)c2ccc(OC(=O)C)cc2,CC(=O)Oc1ccc(cc1)C(Cl)(Cl)c2ccc(OC(=O)C)cc2,"InChI=1/C17H14Cl2O4/c1-11(20)22-15-7-3-13(4-8-15)17(18,19)14-5-9-16(10-6-14)23-12(2)21/h3-10H,1-2H3",C17H14Cl2O4,,,,,,OMKRDBYMAHIWNV-UHFFFAOYSA-N,,,,,,,,,,,
100.081.342,289-508-3,89574-82-3,Potassium 3-phenoxypropanesulphonate,potassium 3-phenoxypropane-1-sulfonate,[K+].[O-]S(=O)(=O)CCCOc1ccccc1,[K+].[O-]S(=O)(=O)CCCOc1ccccc1,"InChI=1/C9H12O4S.K/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,10,11,12);/q;+1/p-1",C9H12O4S.K,,,,,,HIVPWMQCQFOPNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.081.348,289-515-1,89673-52-9,3-[[4-(pentyloxy)phenyl]methylene]phthalide,3-[4-(pentyloxy)benzylidene]-2-benzofuran-1(3H)-one,CCCCCOc1ccc(cc1)C=C3OC(=O)c2ccccc23,CCCCCOc1ccc(cc1)C=C3OC(=O)c2ccccc23,"InChI=1/C20H20O3/c1-2-3-6-13-22-16-11-9-15(10-12-16)14-19-17-7-4-5-8-18(17)20(21)23-19/h4-5,7-12,14H,2-3,6,13H2,1H3",C20H20O3,,,,,,UEZGZBJAHOFZAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.355,289-523-5,89766-91-6,2-(aminooxy)-2-methylpropionic acid hydrochloride,2-(aminooxy)-2-methylpropanoic acid hydrochloride,Cl.CC(C)(ON)C(=O)O,Cl.CC(C)(ON)C(=O)O,"InChI=1/C4H9NO3.ClH/c1-4(2,8-5)3(6)7;/h5H2,1-2H3,(H,6,7);1H",C4H9NO3.ClH,,,,,,ZJPZGAAOCIFBDI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.359,289-527-7,89888-64-2,"(3'aa,4'a,5'ß,6'aa)-hexahydro-5'-[(tetrahydro-2H-pyran-2-yl)oxy]spiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4-methanol","[5'-(tetrahydro-2H-pyran-2-yloxy)hexahydro-1'H-spiro[1,3-dioxolane-2,2'-pentalen]-4-yl]methanol",OCC1COC2(C[C@H]3C[C@H](C[C@H]3C2)OC4CCCCO4)O1,OCC1COC2(C[C@H]3C[C@H](C[C@H]3C2)OC4CCCCO4)O1,"InChI=1/C16H26O5/c17-9-14-10-19-16(21-14)7-11-5-13(6-12(11)8-16)20-15-3-1-2-4-18-15/h11-15,17H,1-10H2",C16H26O5,,,,,,PEKUEEVJHLWEGH-AHMZDQRSSA-N,,,,,,,,,,,
100.079.579,287-568-5,85536-81-8,"Ethyl ß-ethyl-ß-hydroxy-6-methoxy-a,a-dimethylnaphthalene-2-propionate","ethyl 3-hydroxy-3-(6-methoxy-2-naphthyl)-2,2-dimethylpentanoate",CCOC(=O)C(C)(C)C(O)(CC)c1ccc2cc(OC)ccc2c1,CCOC(=O)C(C)(C)C(O)(CC)c1ccc2cc(OC)ccc2c1,"InChI=1/C20H26O4/c1-6-20(22,19(3,4)18(21)24-7-2)16-10-8-15-13-17(23-5)11-9-14(15)12-16/h8-13,22H,6-7H2,1-5H3",C20H26O4,,,,,,BGPCDCAZLBBOTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.598,287-588-4,85551-25-3,"(S)-1-(4-chlorobenzoyl)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide","1-(4-chlorobenzoyl)-N,N-dimethyl-5-oxo-L-prolinamide",CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccc(Cl)cc2,CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccc(Cl)cc2,"InChI=1/C14H15ClN2O3/c1-16(2)14(20)11-7-8-12(18)17(11)13(19)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3",C14H15ClN2O3,,,,,,UTVSYBBRNINNRF-NSHDSACASA-N,,,,,,,,,,,
100.079.614,287-606-0,85554-73-0,3-[3-(diethoxymethylsilyl)propoxy]propylamine,3-{3-[(diethoxymethyl)silyl]propoxy}propan-1-amine,CCOC(OCC)[SiH2]CCCOCCCN,CCOC(OCC)[SiH2]CCCOCCCN,"InChI=1/C11H27NO3Si/c1-3-14-11(15-4-2)16-10-6-9-13-8-5-7-12/h11H,3-10,12,16H2,1-2H3",C11H27NO3Si,,,,,,SVURADNUXFHUEB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.336,301-616-5,94023-19-5,"Tetrapotassium tetrahydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","tetrapotassium tetrahydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H28N2O12P4.4K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-8",C10H28N2O12P4.4K,,,,,,AUDREQKHBQUMBJ-UHFFFAOYSA-F,,,,,,,,,,,
100.092.343,301-623-3,94023-26-4,"1,2,3,4-tetrahydro-6-[(4-nitrophenyl)azo]benzo[h]quinoline-3,7-diol","6-[(4-nitrophenyl)diazenyl]-1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol",[O-][N+](=O)c1ccc(cc1)N=Nc3cc4CC(O)CNc4c2cccc(O)c23,[O-][N+](=O)c1ccc(cc1)N=Nc3cc4CC(O)CNc4c2cccc(O)c23,"InChI=1/C19H16N4O4/c24-14-8-11-9-16(22-21-12-4-6-13(7-5-12)23(26)27)18-15(19(11)20-10-14)2-1-3-17(18)25/h1-7,9,14,20,24-25H,8,10H2",C19H16N4O4,,,,,,WVJOJDCLAFKLPC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.345,301-625-4,94023-28-6,"2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl stearate","2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacont-1-yl stearate",CCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO,"InChI=1/C42H84O18/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-42(52)60-33-41(51)32-59-31-40(50)30-58-29-39(49)28-57-27-38(48)26-56-25-37(47)24-55-23-36(46)22-54-21-35(45)20-53-19-34(44)18-43/h34-41,43-51H,2-33H2,1H3",C42H84O18,,,,,,VANIXXKHZVDVAK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.352,301-633-8,94023-35-5,"N,N'-[iminobis(ethyleneiminoethylene)]bismyristamide","N-(13-oxo-3,6,9,12-tetraazahexacos-1-yl)tetradecanamide (non-preferred name)",CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCC,"InChI=1/C36H75N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(42)40-33-31-38-29-27-37-28-30-39-32-34-41-36(43)26-24-22-20-18-16-14-12-10-8-6-4-2/h37-39H,3-34H2,1-2H3,(H,40,42)(H,41,43)",C36H75N5O2,,,,,,PCXDWMCMOJNBEU-UHFFFAOYSA-N,,,,,,,,,,,
100.092.355,301-636-4,94023-38-8,"N,N'-[iminobis(ethyleneiminoethylene)]distearamide monoacetate","N-(13-oxo-3,6,9,12-tetraazatriacont-1-yl)octadecanamide acetate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C44H91N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)",C44H91N5O2.C2H4O2,,,,,,MVLARNWGFHCMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.356,301-638-5,94023-39-9,"N,N'-[iminobis(ethyleneiminoethylene)]bis(octadec-9-enamide) monoacetate","N-(13-oxo-3,6,9,12-tetraazatriacont-21-en-1-yl)octadec-9-enamide acetate (non-preferred name)",CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC.CC(O)=O,CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC.CC(O)=O,"InChI=1/C44H87N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h17-20,45-47H,3-16,21-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)",C44H87N5O2.C2H4O2,,,,,,LMJDARCOTNCEEA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.358,301-640-6,94023-41-3,"N,N'-[iminobis(ethyleneiminoethylene)]bis(octadeca-9,12,15-trienamide) monoacetate","N-(13-oxo-3,6,9,12-tetraazatriaconta-21,24,27-trien-1-yl)octadeca-9,12,15-trienamide acetate (non-preferred name)",CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,"InChI=1/C44H79N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h5-8,11-14,17-20,45-47H,3-4,9-10,15-16,21-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)",C44H79N5O2.C2H4O2,,,,,,CUXOPZYNGSZYCM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.288,298-264-7,93783-69-8,"4-(dibenzylamino)-3-ethoxybenzenediazonium chloride, compound with zinc chloride","4-(dibenzylamino)-3-ethoxybenzenediazonium chloride, compound with zinc chloride",[Cl-].[Cl-].[Cl-].[Zn+2].CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N,[Cl-].[Cl-].[Cl-].[Zn+2].CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N,"InChI=1/C22H22N3O.3ClH.Zn/c1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;;;;/h3-15H,2,16-17H2,1H3;3*1H;/q+1;;;;+2/p-3",C22H22N3O.xCl2Zn.Cl,,,,,,WJUCFMRDRIHZJY-UHFFFAOYSA-K,,,,,,,,,,,
100.089.298,298-275-7,93803-01-1,"N'-(2-aminoethyl)-N,N-didodecylethylenediamine","N'-(2-aminoethyl)-N,N-didodecylethane-1,2-diamine",CCCCCCCCCCCCN(CCCCCCCCCCCC)CCNCCN,CCCCCCCCCCCCN(CCCCCCCCCCCC)CCNCCN,"InChI=1/C28H61N3/c1-3-5-7-9-11-13-15-17-19-21-26-31(28-25-30-24-23-29)27-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3",C28H61N3,,,,,,NZTZKCVOQYVLDO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.300,298-277-8,93803-03-3,N-(2-aminoethyl)-N'-dodecylethylenediamine hydrochloride,"N-(2-aminoethyl)-N'-dodecylethane-1,2-diamine hydrochloride",Cl.CCCCCCCCCCCCNCCNCCN,Cl.CCCCCCCCCCCCNCCNCCN,"InChI=1/C16H37N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17;/h18-19H,2-17H2,1H3;1H",C16H37N3.xClH,,,,,,MFQWONBMTHRYKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.297,303-774-0,94213-68-0,"Sodium 6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylate","sodium 6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylate",[Na+].[O-]C(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+](=O)[O-],[Na+].[O-]C(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+](=O)[O-],"InChI=1/C16H9NO6.Na/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21;/h1-6H,7H2,(H,18,19);/q;+1/p-1",C16H9NO6.Na,,,,,,IFCATRHBIOPSEC-UHFFFAOYSA-M,,,,,,,,,,,
100.094.303,303-780-3,94230-70-3,"Tripotassium hydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate","tripotassium hydrogen {[(3,5,5-trimethylhexyl)imino]bis(methylene)}bis(phosphonate)",[K+].[K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,[K+].[K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,"InChI=1/C11H27NO6P2.3K/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;/q;3*+1/p-4",C11H27NO6P2.3K,,,,,,CXTMUCJGBSQMKI-UHFFFAOYSA-J,,,,,,,,,,,
100.094.308,303-786-6,94230-75-8,Dipotassium dihydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate,dipotassium dihydrogen {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.2K/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;/q;2*+1/p-4",C10H25NO6P2.2K,,,,,,RXDKVHCGCROPOI-UHFFFAOYSA-J,,,,,,,,,,,
100.094.898,304-434-4,94266-28-1,"5-[[bis(2-hydroxyethyl)amino]carbonyl]-4-hexyl-N,N-bis(2-hydroxyethyl)cyclohex-2-ene-1-octanamide","5-{8-[bis(2-hydroxyethyl)amino]-8-oxooctyl}-2-hexyl-N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide",CCCCCCC1C=CC(CCCCCCCC(=O)N(CCO)CCO)CC1C(=O)N(CCO)CCO,CCCCCCC1C=CC(CCCCCCCC(=O)N(CCO)CCO)CC1C(=O)N(CCO)CCO,"InChI=1/C29H54N2O6/c1-2-3-4-9-12-26-15-14-25(24-27(26)29(37)31(18-22-34)19-23-35)11-8-6-5-7-10-13-28(36)30(16-20-32)17-21-33/h14-15,25-27,32-35H,2-13,16-24H2,1H3",C29H54N2O6,,,,,,FAWNXBJWLYWEAG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.905,304-442-8,94266-35-0,Strontium heptadecanoate,strontium diheptadecanoate,[Sr+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],[Sr+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C17H34O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2",C17H34O2.1/2Sr,,,,,,MCUFLVMJUPOHHG-UHFFFAOYSA-L,,,,,,,,,,,
100.094.923,304-462-7,94275-74-8,Chromium(2+) methacrylate,chromium(2+) bis(2-methylacrylate),[Cr+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Cr+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Cr/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Cr,,,,,,XOYMZNAPYOOFMS-UHFFFAOYSA-L,,,,,,,,,,,
100.094.926,304-465-3,94275-77-1,Iron methacrylate,iron(2+) bis(2-methylacrylate),[Fe].CC(=C)C(O)=O,[Fe].CC(=C)C(O)=O,"InChI=1/C4H6O2.Fe/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+2",C4H6O2.xFe,,,,,,BCHBILXOKHZRSG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.927,304-466-9,94275-78-2,Nickel methacrylate,nickel(2+) bis(2-methylacrylate),[Ni+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Ni+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Ni/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.xNi,,,,,,PVODOPAHTWFPQE-UHFFFAOYSA-L,,,,,,,,,,,
100.096.642,306-357-1,97158-27-5,"Disodium 1-phenyl-3-[[4-[(thiazol-2-ylamino)sulphonyl]phenyl]amino]propane-1,3-disulphonate","disodium 1-phenyl-3-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino}propane-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)C(CC(c1ccccc1)S(=O)(=O)[O-])Nc2ccc(cc2)S(=O)(=O)Nc3nccs3,[Na+].[Na+].[O-]S(=O)(=O)C(CC(c1ccccc1)S(=O)(=O)[O-])Nc2ccc(cc2)S(=O)(=O)Nc3nccs3,"InChI=1/C18H19N3O8S4.2Na/c22-31(23,21-18-19-10-11-30-18)15-8-6-14(7-9-15)20-17(33(27,28)29)12-16(32(24,25)26)13-4-2-1-3-5-13;;/h1-11,16-17,20H,12H2,(H,19,21)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",C18H19N3O8S4.2Na,,,,,,JXLABHNSZRWXMA-UHFFFAOYSA-L,,,,,,,,,,,
100.096.644,306-359-2,97158-29-7,"(1a,2ß,4a)-2-methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-one","2-methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanone",C[C@H]1CCCC(C2CC3CCC2(C)C3(C)C)C1=O,C[C@H]1CCCC(C2CC3CCC2(C)C3(C)C)C1=O,"InChI=1/C17H28O/c1-11-6-5-7-13(15(11)18)14-10-12-8-9-17(14,4)16(12,2)3/h11-14H,5-10H2,1-4H3",C17H28O,,,,,,SJPSHLFVALNUHY-GVMDUPDNSA-N,,,,,,,,,,,
100.096.648,306-363-4,97158-33-3,Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl] 2-sulphonatosuccinate,diammonium 4-{2-[(2-hydroxyethyl)(stearoyl)amino]ethoxy}-4-oxo-3-sulfonatobutanoate,[NH4+].[NH4+].CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[NH4+].[NH4+].CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C26H49NO9S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-26(32)23(22-25(30)31)37(33,34)35;;/h23,28H,2-22H2,1H3,(H,30,31)(H,33,34,35);2*1H3",C26H49NO9S.2H3N,,,,,,DRMZRZWNBSJZGR-UHFFFAOYSA-N,,,,,,,,,,,
100.096.667,306-384-9,97158-54-8,"Camphoric acid, compound with (S)-N-ethyl-a-methyl-3-(trifluoromethyl)phenethylamine (1:1)","1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid - N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (1:1)",CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.CC2(C)C(CCC2(C)C(=O)O)C(=O)O,CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.CC2(C)C(CCC2(C)C(=O)O)C(=O)O,"InChI=1/C12H16F3N.C10H16O4/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h4-6,8-9,16H,3,7H2,1-2H3;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",C12H16F3N.C10H16O4,,,,,,GBMYZGXLAHAFPC-FVGYRXGTSA-N,,,,,,,,,,,
100.094.291,303-767-2,94213-62-4,Methyltris[2-octadecanoylethyl]ammonium hydrogen sulphate,"N-methyl-3-oxo-N,N-bis(3-oxoicosyl)icosan-1-aminium hydrogen sulfate",CCCCCCCCCCCCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCCCCCCCCCCCC)CCC(=O)CCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCCCCCCCCCCCC)CCC(=O)CCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-],"InChI=1/C61H120NO3.H2O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)53-56-62(4,57-54-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5(2,3)4/h5-58H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C61H120NO6.1/2O4S,,,,,,HRAIMTSEQYIOFN-UHFFFAOYSA-L,,,,,,,,,,,
100.094.299,303-776-1,94230-66-7,Tetrapotassium [(tetradecylimino)bis(methylene)]diphosphonate,tetrapotassium [(tetradecylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.4K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4",C16H37NO6P2.4K,,,,,,FPACRNCPUYCVEV-UHFFFAOYSA-J,,,,,,,,,,,
100.094.301,303-778-2,94230-68-9,Tripotassium hydrogen [(dodecylimino)bis(methylene)]bisphosphonate,tripotassium hydrogen [(dodecylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.3K/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;;/q;3*+1/p-4",C14H33NO6P2.3K,,,,,,AAZKHZZNNTUSSY-UHFFFAOYSA-J,,,,,,,,,,,
100.094.304,303-781-9,94230-71-4,"Tetrapotassium [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate","tetrapotassium {[(3,5,5-trimethylhexyl)imino]bis(methylene)}bis(phosphonate)",[K+].[K+].[K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,[K+].[K+].[K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,"InChI=1/C11H27NO6P2.4K/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4",C11H27NO6P2.4K,,,,,,CWQMSYRHVCNJCQ-UHFFFAOYSA-J,,,,,,,,,,,
100.094.306,303-784-5,94230-73-6,Tripotassium hydrogen [(octylimino)bis(methylene)]bisphosphonate,tripotassium hydrogen [(octylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.3K/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;/q;3*+1/p-4",C10H25NO6P2.3K,,,,,,DMCLMTPPYREGCX-UHFFFAOYSA-J,,,,,,,,,,,
100.094.310,303-788-7,94230-77-0,Tetrapotassium [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate,tetrapotassium {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[K+].[K+].[K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.4K/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4",C10H25NO6P2.4K,,,,,,AZVYGFDDUKVOPJ-UHFFFAOYSA-J,,,,,,,,,,,
100.094.313,303-791-3,94230-80-5,Propyl undec-10-enoate,propyl undec-10-enoate,CCCOC(=O)CCCCCCCCC=C,CCCOC(=O)CCCCCCCCC=C,"InChI=1/C14H26O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3H,1,4-13H2,2H3",C14H26O2,,,,,,WSIZDNPFIBZART-UHFFFAOYSA-N,,,,,,,,,,,
100.094.890,304-426-0,94266-20-3,Sodium bis(2-ethylhexyl)dithiocarbamate,sodium bis(2-ethylhexyl)dithiocarbamate,[Na+].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-],[Na+].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-],"InChI=1/C17H35NS2.Na/c1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,19,20);/q;+1/p-1",C17H35NS2.Na,,,,,,XXPMBGMBGWRNRH-UHFFFAOYSA-M,,,,,,,,,,,
100.094.894,304-430-2,94266-24-7,Methyl 2-(aminothio)benzoate,methyl 2-(aminosulfanyl)benzoate,COC(=O)c1ccccc1SN,COC(=O)c1ccccc1SN,"InChI=1/C8H9NO2S/c1-11-8(10)6-4-2-3-5-7(6)12-9/h2-5H,9H2,1H3",C8H9NO2S,,,,,,GEUILTLVJDCUJF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.895,304-431-8,94266-25-8,"2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate","2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacont-1-yl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO,"InChI=1/C42H82O18/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-42(52)60-33-41(51)32-59-31-40(50)30-58-29-39(49)28-57-27-38(48)26-56-25-37(47)24-55-23-36(46)22-54-21-35(45)20-53-19-34(44)18-43/h9-10,34-41,43-51H,2-8,11-33H2,1H3",C42H82O18,,,,,,KZTPDBZBBGWVJQ-KTKRTIGZSA-N,,,,,,,,,,,
100.094.896,304-432-3,94266-26-9,"Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate","isopropyl 10-[5,6-dihexyl-2-(8-isopropoxy-8-oxooctyl)cyclohex-3-en-1-yl]dec-9-enoate",CC(C)OC(=O)CCCCCCCC1/C=C\\C(CCCCCC)C(CCCCCC)C1C=CCCCCCCCC(=O)OC(C)C,CC(C)OC(=O)CCCCCCCC1/C=C\C(CCCCCC)C(CCCCCC)C1C=CCCCCCCCC(=O)OC(C)C,"InChI=1/C42H76O4/c1-7-9-11-21-27-37-33-34-38(28-22-17-16-20-26-32-42(44)46-36(5)6)40(39(37)29-23-12-10-8-2)30-24-18-14-13-15-19-25-31-41(43)45-35(3)4/h24,30,33-40H,7-23,25-29,31-32H2,1-6H3",C42H76O4,,,,,,BFZNCPXNOGIELB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.897,304-433-9,94266-27-0,"3-[cyano(2,4-dichlorophenyl)methylene]carbazamidine","2-[cyano(2,4-dichlorophenyl)methylene]hydrazinecarboximidamide",Clc1cc(Cl)ccc1C(=NNC(N)=N)C#N,Clc1cc(Cl)ccc1C(=NNC(N)=N)C#N,"InChI=1/C9H7Cl2N5/c10-5-1-2-6(7(11)3-5)8(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)",C9H7Cl2N5,,,,,,CKIGTEMDGSRWLP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.619,287-611-8,85554-78-5,4-vinyloxybenzenesulphonic acid,4-(vinyloxy)benzenesulfonic acid,OS(=O)(=O)c1ccc(OC=C)cc1,OS(=O)(=O)c1ccc(OC=C)cc1,"InChI=1/C8H8O4S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h2-6H,1H2,(H,9,10,11)",C8H8O4S,,,,,,HSWUAGZRTRVDRA-UHFFFAOYSA-N,,,,,,,,,,,
100.082.482,290-765-9,90218-86-3,"Benzoic acid, zinc salt, basic",-,[Zn+2].[O-]C(=O)c1ccccc1,[Zn+2].[O-]C(=O)c1ccccc1,"InChI=1/C7H6O2.Zn/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+2/p-1",-,,,,,,WPSPGUZJFGFLTC-UHFFFAOYSA-M,,,,,,,,,,,
100.081.368,289-537-1,89923-44-4,"Trisodium 2-[[6-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate","trisodium 2-{[6-({4-[ethyl(phenyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].CCN(c1ccccc1)c6nc(F)nc(Nc4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O)n6,[Na+].[Na+].[Na+].CCN(c1ccccc1)c6nc(F)nc(Nc4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O)n6,"InChI=1/C31H24FN7O10S3.3Na/c1-2-39(19-7-4-3-5-8-19)31-35-29(32)34-30(36-31)33-18-11-12-20-17(15-18)16-25(51(44,45)46)26(27(20)40)38-37-23-14-13-21-22(28(23)52(47,48)49)9-6-10-24(21)50(41,42)43;;;/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3",C31H24FN7O10S3.3Na,,,,,,HUBCJMNHXBJUAT-UHFFFAOYSA-K,,,,,,,,,,,
100.081.369,289-538-7,89923-45-5,"Trisodium 2-[4,5-dihydro-3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]benzoyl]amino]-2-sulphonatophenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonate","trisodium 2-{3-methyl-4-[(4-{[4-({2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}diazenyl)benzoyl]amino}-2-sulfonatophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].Clc6c(Cl)nc(Cl)nc6Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc4ccc(N=NC3C(\\C)=N/N(c2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)C3=O)c(c4)S([O-])(=O)=O)c(C)c5,[Na+].[Na+].[Na+].Clc6c(Cl)nc(Cl)nc6Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc4ccc(N=NC3C(\C)=N/N(c2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)C3=O)c(c4)S([O-])(=O)=O)c(C)c5,"InChI=1/C34H25Cl3N10O11S3.3Na/c1-16-13-20(38-31-28(35)30(36)40-34(37)41-31)7-10-23(16)43-42-19-5-3-18(4-6-19)32(48)39-21-8-11-24(27(14-21)61(56,57)58)44-45-29-17(2)46-47(33(29)49)25-15-22(59(50,51)52)9-12-26(25)60(53,54)55;;;/h3-15,29H,1-2H3,(H,39,48)(H,38,40,41)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3",C34H25Cl3N10O11S3.3Na,,,,,,PMRNHRMWEMZZIP-UHFFFAOYSA-K,,,,,,,,,,,
100.081.372,289-541-3,89923-50-2,"Sodium 4-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate","sodium 4-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]-2-{[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate",[Na+].CC(C)Oc1nc(Cl)nc(n1)Nc4cc(N=NC3C(\\C)=N/N(c2c(Cl)cccc2C)C3=O)c(cc4)S([O-])(=O)=O,[Na+].CC(C)Oc1nc(Cl)nc(n1)Nc4cc(N=NC3C(\C)=N/N(c2c(Cl)cccc2C)C3=O)c(cc4)S([O-])(=O)=O,"InChI=1/C23H22Cl2N8O5S.Na/c1-11(2)38-23-28-21(25)27-22(29-23)26-14-8-9-17(39(35,36)37)16(10-14)30-31-18-13(4)32-33(20(18)34)19-12(3)6-5-7-15(19)24;/h5-11,18H,1-4H3,(H,35,36,37)(H,26,27,28,29);/q;+1/p-1",C23H22Cl2N8O5S.Na,,,,,,UUNHWKOZITUDQI-UHFFFAOYSA-M,,,,,,,,,,,
100.079.622,287-614-4,85554-81-0,"p-(4,5-dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid","4-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(CC1)c2ccc(cc2)S(=O)(=O)O,CC1=NN(CC1)c2ccc(cc2)S(=O)(=O)O,"InChI=1/C10H12N2O3S/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)16(13,14)15/h2-5H,6-7H2,1H3,(H,13,14,15)",C10H12N2O3S,,,,,,OIIYGQQTABANCM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.623,287-616-5,85554-82-1,Octahydro-4H-1-benzopyran-4-one,octahydro-4H-chromen-4-one,O=C1CCOC2CCCCC12,O=C1CCOC2CCCCC12,"InChI=1/C9H14O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h7,9H,1-6H2",C9H14O2,,,,,,OEUIHCUJHMNEON-UHFFFAOYSA-N,,,,,,,,,,,
100.081.127,289-272-1,86702-59-2,N-[3-(decylamino)propyl]-D-gluconamide,"N-[3-(decylamino)propyl]-2,3,4,5,6-pentahydroxyhexanamide (non-preferred name)",CCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C19H40N2O6/c1-2-3-4-5-6-7-8-9-11-20-12-10-13-21-19(27)18(26)17(25)16(24)15(23)14-22/h15-18,20,22-26H,2-14H2,1H3,(H,21,27)",C19H40N2O6,,,,,,URPLOWLZZQLZGJ-ZJPYXAASSA-N,,,,,,,,,,,
100.081.131,289-276-3,86722-66-9,1-[(2-hydroxyethyl)amino]-4-(methylamino)anthraquinone,"1-[(2-hydroxyethyl)amino]-4-(methylamino)-9,10-anthraquinone",CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H16N2O3/c1-18-12-6-7-13(19-8-9-20)15-14(12)16(21)10-4-2-3-5-11(10)17(15)22/h2-7,18-20H,8-9H2,1H3",C17H16N2O3,,,,,,NLXFWUZKOOWWFD-UHFFFAOYSA-N,,,,,,,,,,,
100.081.134,289-280-5,86806-69-1,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide","N-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl}acetamide",Brc3cc(cc(c3N=Nc1ccc(cc1NC(C)=O)N(CC)CCCc2ccccc2)[N+]([O-])=O)[N+]([O-])=O,Brc3cc(cc(c3N=Nc1ccc(cc1NC(C)=O)N(CC)CCCc2ccccc2)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C25H25BrN6O5/c1-3-30(13-7-10-18-8-5-4-6-9-18)19-11-12-22(23(15-19)27-17(2)33)28-29-25-21(26)14-20(31(34)35)16-24(25)32(36)37/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,27,33)",C25H25BrN6O5,,,,,,QTOMAVNNZJSYOV-UHFFFAOYSA-N,,,,,,,,,,,
100.089.308,298-286-7,93803-16-8,Tris[2-(stearoyloxy)ethyl]ammonium acetate,"2-(stearoyloxy)-N,N-bis[2-(stearoyloxy)ethyl]ethanaminium acetate",CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-],"InChI=1/C60H117NO6.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h4-57H2,1-3H3;1H3,(H,3,4)",C60H117NO6.C2H4O2,,,,,,AZKRQKMXMKKMQO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.315,298-294-0,93803-24-8,L-histidine mono(3-phenylpyruvate),2-oxo-3-phenylpropanoic acid - D-histidine (1:1),N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)C(=O)Cc2ccccc2,N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)C(=O)Cc2ccccc2,"InChI=1/C9H8O3.C6H9N3O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-5(6(10)11)1-4-2-8-3-9-4/h1-5H,6H2,(H,11,12);2-3,5H,1,7H2,(H,8,9)(H,10,11)",C9H8O3.C6H9N3O2,,,,,,HXWWOVBNGFGPHI-ZSCHJXSPSA-N,,,,,,,,,,,
100.091.211,300-379-5,93939-88-9,Nonasodium pentahydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"nonasodium pentahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.9Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;/q;9*+1/p-14",C15H44N5O21P7.9Na,,,,,,COEVCNJLUSHIDJ-UHFFFAOYSA-A,,,,,,,,,,,
100.091.215,300-383-7,93939-92-5,Octapotassium hexahydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"octapotassium hexahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.8K/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;/q;8*+1/p-14",C15H44N5O21P7.8K,,,,,,DDJRLNMDVPAJQK-UHFFFAOYSA-A,,,,,,,,,,,
100.091.217,300-385-8,93939-94-7,Tridecapotassium hydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"tridecapotassium hydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.13K/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;;;;;;/q;13*+1/p-14",C15H44N5O21P7.13K,,,,,,FFTZVYUBSHCMDX-UHFFFAOYSA-A,,,,,,,,,,,
100.091.220,300-388-4,93939-97-0,"Sodium 3-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxybenzenesulphonate","sodium 3-({2,4-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxybenzenesulfonate",[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc3cc(ccc3O)S([O-])(=O)=O,[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc3cc(ccc3O)S([O-])(=O)=O,"InChI=1/C18H13N5O8S.Na/c24-15-7-5-12(32(29,30)31)9-14(15)21-20-13-6-8-16(25)17(18(13)26)22-19-10-1-3-11(4-2-10)23(27)28;/h1-9,24-26H,(H,29,30,31);/q;+1/p-1",C18H13N5O8S.Na,,,,,,JPVSKZFBYWSIGN-UHFFFAOYSA-M,,,,,,,,,,,
100.091.221,300-390-5,93939-98-1,"Disodium 4-[[2,4-dihydroxy-3-[(2-hydroxy-4-nitrophenyl)azo]-5-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-({2,4-dihydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc(cc3O)[N+]([O-])=O)N=Nc5ccc(cc5)[N+]([O-])=O,[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccc(cc3O)[N+]([O-])=O)N=Nc5ccc(cc5)[N+]([O-])=O,"InChI=1/C28H18N8O14S2.2Na/c37-23-9-16(36(43)44)5-6-19(23)30-34-26-27(39)21(32-29-14-1-3-15(4-2-14)35(41)42)12-22(28(26)40)33-31-20-10-17(51(45,46)47)7-13-8-18(52(48,49)50)11-24(38)25(13)20;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C28H18N8O14S2.2Na,,,,,,OELVARRDNPTXHJ-UHFFFAOYSA-L,,,,,,,,,,,
100.096.671,306-389-6,97171-72-7,Europium bis(thioborate),europium bis(thioborate),[Eu+2].[Eu+2].[Eu+2].[O-]B([O-])[S-].[O-]B([O-])[S-],[Eu+2].[Eu+2].[Eu+2].[O-]B([O-])[S-].[O-]B([O-])[S-],InChI=1/2BO2S.3Eu/c2*2-1(3)4;;;/q2*-3;3*+2,BHS2.1/2Eu,,,,,,GGRIRQOMEKEVJA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.314,303-792-9,94230-81-6,(±)-N-[N-(2-bromo-4-methyl-1-oxopentyl)glycyl]-glycine,N-(2-bromo-4-methylpentanoyl)glycylglycine,CC(C)CC(Br)C(=O)NCC(=O)NCC(=O)O,CC(C)CC(Br)C(=O)NCC(=O)NCC(=O)O,"InChI=1/C10H17BrN2O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)",C10H17BrN2O4,,,,,,ZBXSVQJKCGZRKV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.316,303-795-5,94230-83-8,"4-bromo-3,5-dimethyl-1H-pyrazole-1-methanol","(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methanol",Cc1nn(CO)c(C)c1Br,Cc1nn(CO)c(C)c1Br,"InChI=1/C6H9BrN2O/c1-4-6(7)5(2)9(3-10)8-4/h10H,3H2,1-2H3",C6H9BrN2O,,,,,,ZPUHCXLBXSSWLL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.331,303-811-0,94230-98-5,"Tetraphenylphosphonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate","tetraphenylphosphonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate",[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl.c3ccc(cc3)[P+](c4ccccc4)(c5ccccc5)c6ccccc6,[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl.c3ccc(cc3)[P+](c4ccccc4)(c5ccccc5)c6ccccc6,"InChI=1/C24H20P.C12H7Cl3O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-20H;1-6,16H/q+1;/p-1",C24H20P.C12H6Cl3O2,,,,,,IVIDGYXOIXRPCN-UHFFFAOYSA-M,,,,,,,,,,,
100.094.340,303-821-5,94231-07-9,Triphenylpropylphosphonium phenolate,triphenyl(propyl)phosphonium phenolate,CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4,CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4,"InChI=1/C21H22P.C6H6O/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;7-6-4-2-1-3-5-6/h3-17H,2,18H2,1H3;1-5,7H/q+1;/p-1",C21H22P.C6H5O,,,,,,IKIHQYHAXWEILE-UHFFFAOYSA-M,,,,,,,,,,,
100.094.934,304-474-2,94275-86-2,Tin(4+) methacrylate,tin(4+) tetrakis(2-methylacrylate),[Sn+4].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Sn+4].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/4C4H6O2.Sn/c4*1-3(2)4(5)6;/h4*1H2,2H3,(H,5,6);/q;;;;+4/p-4",C4H6O2.1/4Sn,,,,,,KQWBJUXAIXBZTC-UHFFFAOYSA-J,,,,,,,,,,,
100.094.949,304-491-5,94276-02-5,"N-(2,5-dihydro-2-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)decan-1-amide","N-(2-phenyl-5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)decanamide",CCCCCCCCCC(=O)NC1=NC(=S)NN1c2ccccc2,CCCCCCCCCC(=O)NC1=NC(=S)NN1c2ccccc2,"InChI=1/C18H26N4OS/c1-2-3-4-5-6-7-11-14-16(23)19-17-20-18(24)21-22(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3,(H2,19,20,21,23,24)",C18H26N4OS,,,,,,NYAPNLOFIICOGE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.954,304-496-2,94276-07-0,3-thia-6-azoniaspiro[5.5]undecane chloride,3-thia-6-azoniaspiro[5.5]undecane chloride,[Cl-].C1CC[N+]2(CC1)CCSCC2,[Cl-].C1CC[N+]2(CC1)CCSCC2,InChI=1/C9H18NS.ClH/c1-2-4-10(5-3-1)6-8-11-9-7-10;/h1-9H2;1H/q+1;/p-1,C9H18NS.Cl,,,,,,WXATUYAACRMMCO-UHFFFAOYSA-M,,,,,,,,,,,
100.094.962,304-504-4,94276-18-3,"2,2'-[ethylenebis[imino(3-ethoxy-4,1-phenylene)azo]]bis[3-methylthiazolium] dithiocyanate","2,2'-{ethane-1,2-diylbis[imino(3-ethoxy-4,1-phenylene)diazene-2,1-diyl]}bis(3-methyl-1,3-thiazol-3-ium) bis(thiocyanate)",[S-]C#N.[S-]C#N.C[n+]4ccsc4N=Nc3ccc(NCCNc1ccc(cc1OCC)N=Nc2scc[n+]2C)c(OCC)c3,[S-]C#N.[S-]C#N.C[n+]4ccsc4N=Nc3ccc(NCCNc1ccc(cc1OCC)N=Nc2scc[n+]2C)c(OCC)c3,"InChI=1/C26H30N8O2S2.2CHNS/c1-5-35-23-17-19(29-31-25-33(3)13-15-37-25)7-9-21(23)27-11-12-28-22-10-8-20(18-24(22)36-6-2)30-32-26-34(4)14-16-38-26;2*2-1-3/h7-10,13-18H,5-6,11-12H2,1-4H3;2*3H",C26H32N8O2S2.2CNS,,,,,,LDIRDPIQHVSRBU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.964,304-507-0,94276-20-7,Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride,ethyl 3-(diethylamino)-4-[(pyridin-3-ylcarbonyl)amino]benzoate hydrochloride,Cl.CCOC(=O)c1ccc(NC(=O)c2cccnc2)c(c1)N(CC)CC,Cl.CCOC(=O)c1ccc(NC(=O)c2cccnc2)c(c1)N(CC)CC,"InChI=1/C19H23N3O3.ClH/c1-4-22(5-2)17-12-14(19(24)25-6-3)9-10-16(17)21-18(23)15-8-7-11-20-13-15;/h7-13H,4-6H2,1-3H3,(H,21,23);1H",C19H23N3O3.ClH,,,,,,HKXWNIBWJHCUFY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.698,306-419-8,97233-28-8,Diethylammonium (S)-2-(4-chloro-2-methylphenoxy)propionate,N-ethylethanaminium 2-(4-chloro-2-methylphenoxy)propanoate,CC[NH2+]CC.C[C@H](Oc1ccc(Cl)cc1C)C(=O)[O-],CC[NH2+]CC.C[C@H](Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.C4H11N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-5-4-2/h3-5,7H,1-2H3,(H,12,13);5H,3-4H2,1-2H3",C10H11ClO3.C4H11N,,,,,,YWWMOSBBXLVHSK-FJXQXJEOSA-N,,,,,,,,,,,
100.096.705,306-427-1,97259-65-9,Oxiranylmethyl veratrate,"oxiran-2-ylmethyl 3,4-dimethoxybenzoate",COc1ccc(cc1OC)C(=O)OCC2CO2,COc1ccc(cc1OC)C(=O)OCC2CO2,"InChI=1/C12H14O5/c1-14-10-4-3-8(5-11(10)15-2)12(13)17-7-9-6-16-9/h3-5,9H,6-7H2,1-2H3",C12H14O5,,,,,,VPTDIKOVZYYYNW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.360,303-843-5,94231-27-3,"[dodecane-1,12-diylbis(ethyldimethylammonium)] dichloride","N,N'-diethyl-N,N,N',N'-tetramethyldodecane-1,12-diaminium dichloride",[Cl-].[Cl-].CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC,[Cl-].[Cl-].CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC,"InChI=1/C20H46N2.2ClH/c1-7-21(3,4)19-17-15-13-11-9-10-12-14-16-18-20-22(5,6)8-2;;/h7-20H2,1-6H3;2*1H/q+2;;/p-2",C20H46N2.2Cl,,,,,,JXZBZYXYIVZUID-UHFFFAOYSA-L,,,,,,,,,,,
100.094.903,304-440-7,94266-33-8,Ammonium icosanoate,ammonium icosanoate,[NH4+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C20H40O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);1H3",C20H40O2.H3N,,,,,,BRMYKYSLVRPXIO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.904,304-441-2,94266-34-9,Magnesium heptadecanoate,magnesium diheptadecanoate,[Mg+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C17H34O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2",C17H34O2.1/2Mg,,,,,,ZHRNOJNAACVXGA-UHFFFAOYSA-L,,,,,,,,,,,
100.094.911,304-449-6,94266-41-8,"Icosyl hydrogen sulphate, compound with 2-aminoethanol (1:1)",icosyl hydrogen sulfate - 2-aminoethanol (1:1),CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.NCCO,CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.NCCO,"InChI=1/C20H42O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;3-1-2-4/h2-20H2,1H3,(H,21,22,23);4H,1-3H2",C20H42O4S.C2H7NO,,,,,,JAIUKPVVQIRETJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.930,304-470-0,94275-81-7,Lithium tris(1-methylethyl)naphthalenesulphonate,"lithium 2,3,4-triisopropylnaphthalene-1-sulfonate",[Li+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-],[Li+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-],"InChI=1/C19H26O3S.Li/c1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h7-13H,1-6H3,(H,20,21,22);/q;+1/p-1",C19H26O3S.Li,,,,,,QOAXBEFVRXXVJR-UHFFFAOYSA-M,,,,,,,,,,,
100.094.932,304-472-1,94275-84-0,"2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium acetate","2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium acetate",CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1.CC(=O)[O-],CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1.CC(=O)[O-],"InChI=1/C22H25N3O2.C2H4O2/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;1-2(3)4/h7-14,21H,5-6H2,1-4H3;1H3,(H,3,4)",C22H24N3O2.C2H3O2,,,,,,OJYHUYVGRHYUMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.639,306-354-5,97158-24-2,Chlorobis(pentyloxy)titanium,titanium(3+) chloride dipentan-1-olate,CCCCCO[Ti](Cl)OCCCCC,CCCCCO[Ti](Cl)OCCCCC,"InChI=1/2C5H11O.ClH.Ti/c2*1-2-3-4-5-6;;/h2*2-5H2,1H3;1H;/q2*-1;;+3/p-1/rC10H22ClO2Ti/c1-3-5-7-9-12-14(11)13-10-8-6-4-2/h3-10H2,1-2H3",C10H22ClO2Ti,,,,,,WDHNONKQZUKDDT-UHFFFAOYSA-M,,,,,,,,,,,
100.096.647,306-362-9,97158-32-2,"4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride compound with zinc chloride (1:1)","4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride compound with zinc chloride (1:1)",[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C,[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C,"InChI=1/C26H33N3.4ClH.Zn/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;;;;/h8-19H,1-7H3;4*1H;/q+2;;;;;+2/p-4",C26H33N3.Cl2Zn.2Cl,,,,,,DFWNDZXBHVLQRA-UHFFFAOYSA-J,,,,,,,,,,,
100.096.649,306-365-5,97158-34-4,3-amino-4-(hexadecyloxy)-N-methylbenzenesulphonamide,3-amino-4-(hexadecyloxy)-N-methylbenzenesulfonamide,CCCCCCCCCCCCCCCCOc1ccc(cc1N)S(=O)(=O)NC,CCCCCCCCCCCCCCCCOc1ccc(cc1N)S(=O)(=O)NC,"InChI=1/C23H42N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-23-18-17-21(20-22(23)24)29(26,27)25-2/h17-18,20,25H,3-16,19,24H2,1-2H3",C23H42N2O3S,,,,,,YMTIFDKNEKBIGR-UHFFFAOYSA-N,,,,,,,,,,,
100.096.650,306-366-0,97158-35-5,3-amino-N-methyl-4-(octadecyloxy)benzenesulphonamide,3-amino-N-methyl-4-(octadecyloxy)benzenesulfonamide,CCCCCCCCCCCCCCCCCCOc1ccc(cc1N)S(=O)(=O)NC,CCCCCCCCCCCCCCCCCCOc1ccc(cc1N)S(=O)(=O)NC,"InChI=1/C25H46N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-25-20-19-23(22-24(25)26)31(28,29)27-2/h19-20,22,27H,3-18,21,26H2,1-2H3",C25H46N2O3S,,,,,,UZSVPPCZPGPYKY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.651,306-367-6,97158-36-6,"m-[4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid","3-{5-oxo-3-[4-(palmitoylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C2=NN(C(=O)C2)c3cccc(c3)S(=O)(=O)O,CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C2=NN(C(=O)C2)c3cccc(c3)S(=O)(=O)O,"InChI=1/C31H43N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-30(35)32-26-21-19-25(20-22-26)29-24-31(36)34(33-29)27-16-15-17-28(23-27)40(37,38)39/h15-17,19-23H,2-14,18,24H2,1H3,(H,32,35)(H,37,38,39)",C31H43N3O5S,,,,,,UXCYZDBBKWJIJU-UHFFFAOYSA-N,,,,,,,,,,,
100.096.653,306-369-7,97158-38-8,Cyclohexylpropyl propionate,1-cyclohexylpropyl propionate,CCC(OC(=O)CC)C1CCCCC1,CCC(OC(=O)CC)C1CCCCC1,"InChI=1/C12H22O2/c1-3-11(14-12(13)4-2)10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3",C12H22O2,,,,,,MIQANPZGMOPTKS-UHFFFAOYSA-N,,,,,,,,,,,
100.081.151,289-298-3,87086-01-9,"2-ethylhexyl 3,3-dimethylbutyrate","2-ethylhexyl 3,3-dimethylbutanoate",CCCCC(CC)COC(=O)CC(C)(C)C,CCCCC(CC)COC(=O)CC(C)(C)C,"InChI=1/C14H28O2/c1-6-8-9-12(7-2)11-16-13(15)10-14(3,4)5/h12H,6-11H2,1-5H3",C14H28O2,,,,,,JJWQSQQIIZKVMT-UHFFFAOYSA-N,,,,,,,,,,,
100.081.152,289-299-9,87096-97-7,2-(tert-butyl)-3-methyl-2-buten-1-ol,2-tert-butyl-3-methylbut-2-en-1-ol,CC(=C(CO)C(C)(C)C)C,CC(=C(CO)C(C)(C)C)C,"InChI=1/C9H18O/c1-7(2)8(6-10)9(3,4)5/h10H,6H2,1-5H3",C9H18O,,,,,,SLNIZIFYEXEDLP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.406,287-377-7,85482-86-6,trans-4-hydroxy-1-(1-oxobutyl)-L-proline,1-butyryl-4-hydroxy-L-proline,CCCC(=O)N1CC(O)C[C@H]1C(=O)O,CCCC(=O)N1CC(O)C[C@H]1C(=O)O,"InChI=1/C9H15NO4/c1-2-3-8(12)10-5-6(11)4-7(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)",C9H15NO4,,,,,,POHGHGLKBPAVNJ-MLWJPKLSSA-N,,,,,,,,,,,
100.079.408,287-379-8,85504-88-7,(1S)-1-C-(4-carboxythiazolidin-2-yl)-L-arabinitol,"1-C-(4-carboxy-1,3-thiazolidin-2-yl)-L-arabinitol",OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C1NC(CS1)C(=O)O,OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C1NC(CS1)C(=O)O,"InChI=1/C9H17NO7S/c11-1-4(12)5(13)6(14)7(15)8-10-3(2-18-8)9(16)17/h3-8,10-15H,1-2H2,(H,16,17)",C9H17NO7S,,,,,,JEPVUMTVFPQKQE-RIBIYVFASA-N,,,,,,,,,,,
100.079.409,287-380-3,85504-89-8,(1R)-1-C-(4-carboxythiazolidin-2-yl)-L-arabinitol,"1-C-(4-carboxy-1,3-thiazolidin-2-yl)-L-arabinitol",OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1NC(CS1)C(=O)O,OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C1NC(CS1)C(=O)O,"InChI=1/C9H17NO7S/c11-1-4(12)5(13)6(14)7(15)8-10-3(2-18-8)9(16)17/h3-8,10-15H,1-2H2,(H,16,17)",C9H17NO7S,,,,,,JEPVUMTVFPQKQE-HQENUKANSA-N,,,,,,,,,,,
100.079.428,287-401-6,85507-79-5,"Diundecyl phthalate, branched and linear",diundecyl phthalate,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,"InChI=1/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3",C30H50O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12074,https://echa.europa.eu/substance-information/-/substanceinfo/100.079.428,QQVHEQUEHCEAKS-UHFFFAOYSA-N,,,,,,,,,,,
100.081.177,289-326-4,87617-01-4,"1-butyl-5-[(4-chloro-2-nitrophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","1-butyl-5-[(4-chloro-2-nitrophenyl)diazenyl]-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",[O-][N+](=O)c2cc(Cl)ccc2N=N/C1=C(\\O)N(CCCC)C(=O)C(/C#N)=C1/C,[O-][N+](=O)c2cc(Cl)ccc2N=N/C1=C(\O)N(CCCC)C(=O)C(/C#N)=C1/C,"InChI=1/C17H16ClN5O4/c1-3-4-7-22-16(24)12(9-19)10(2)15(17(22)25)21-20-13-6-5-11(18)8-14(13)23(26)27/h5-6,8,25H,3-4,7H2,1-2H3",C17H16ClN5O4,,,,,,ORDLVUCAZCJSAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.183,289-333-2,87706-78-3,N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]hexadecan-1-amide,N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCN,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCN,"InChI=1/C22H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)26-21-20-25-19-18-24-17-16-23/h24-25H,2-21,23H2,1H3,(H,26,27)",C22H48N4O,,,,,,VHZCVFYXWVNUHI-UHFFFAOYSA-N,,,,,,,,,,,
100.084.186,292-638-3,90645-55-9,"a,a-dimethylcyclohex-3-ene-1-methanol",2-cyclohex-3-en-1-ylpropan-2-ol,CC(C)(O)C1CCC=CC1,CC(C)(O)C1CCC=CC1,"InChI=1/C9H16O/c1-9(2,10)8-6-4-3-5-7-8/h3-4,8,10H,5-7H2,1-2H3",C9H16O,,,,,,FGCVUJGUQUFWLT-UHFFFAOYSA-N,,,,,,,,,,,
100.084.209,292-664-5,90677-61-5,"Sodium 1-decyl 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate","sodium 4-chloro-3-[4-({2-[(decyloxy)carbonyl]phenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].CCCCCCCCCCOC(=O)c3ccccc3N=NC2C(\\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O,[Na+].CCCCCCCCCCOC(=O)c3ccccc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S([O-])(=O)=O)C2=O,"InChI=1/C27H33ClN4O6S.Na/c1-3-4-5-6-7-8-9-12-17-38-27(34)21-13-10-11-14-23(21)29-30-25-19(2)31-32(26(25)33)24-18-20(39(35,36)37)15-16-22(24)28;/h10-11,13-16,18,25H,3-9,12,17H2,1-2H3,(H,35,36,37);/q;+1/p-1",C27H33ClN4O6S.Na,,,,,,NPWULNYDQMAFNK-UHFFFAOYSA-M,,,,,,,,,,,
100.084.212,292-667-1,90680-32-3,4-[(4-aminophenyl)methyl]-2-ethyl-6-methylaniline,4-(4-aminobenzyl)-2-ethyl-6-methylaniline,CCc1cc(Cc2ccc(N)cc2)cc(C)c1N,CCc1cc(Cc2ccc(N)cc2)cc(C)c1N,"InChI=1/C16H20N2/c1-3-14-10-13(8-11(2)16(14)18)9-12-4-6-15(17)7-5-12/h4-8,10H,3,9,17-18H2,1-2H3",C16H20N2,,,,,,XSVKKJLZPRFMCU-UHFFFAOYSA-N,,,,,,,,,,,
100.084.218,292-673-4,90680-62-9,5-[(4-aminocyclohexyl)methyl]-o-toluidine,5-[(4-aminocyclohexyl)methyl]-2-methylaniline,Cc1ccc(CC2CCC(N)CC2)cc1N,Cc1ccc(CC2CCC(N)CC2)cc1N,"InChI=1/C14H22N2/c1-10-2-3-12(9-14(10)16)8-11-4-6-13(15)7-5-11/h2-3,9,11,13H,4-8,15-16H2,1H3",C14H22N2,,,,,,JXKCXZZWQAMWAH-UHFFFAOYSA-N,,,,,,,,,,,
100.084.219,292-675-5,90697-54-4,Sodium 1-[4-(chloroacetamido)phenyl] 2-[[2-amino-6-[[ethyl(4-sulphonatophenyl)amino]sulphonyl]-8-hydroxy-1-naphthyl]azo]benzenesulphonate,sodium 4-{[(6-amino-5-{[2-({4-[(chloroacetyl)amino]phenoxy}sulfonyl)phenyl]diazenyl}-4-hydroxy-2-naphthyl)sulfonyl](ethyl)amino}benzenesulfonate,[Na+].O=S(=O)(Oc1ccc(cc1)NC(=O)CCl)c5ccccc5N=Nc2c3c(O)cc(cc3ccc2N)S(=O)(=O)N(CC)c4ccc(cc4)S([O-])(=O)=O,[Na+].O=S(=O)(Oc1ccc(cc1)NC(=O)CCl)c5ccccc5N=Nc2c3c(O)cc(cc3ccc2N)S(=O)(=O)N(CC)c4ccc(cc4)S([O-])(=O)=O,"InChI=1/C32H28ClN5O10S3.Na/c1-2-38(22-10-14-24(15-11-22)50(43,44)45)49(41,42)25-17-20-7-16-26(34)32(31(20)28(39)18-25)37-36-27-5-3-4-6-29(27)51(46,47)48-23-12-8-21(9-13-23)35-30(40)19-33;/h3-18,39H,2,19,34H2,1H3,(H,35,40)(H,43,44,45);/q;+1/p-1",C32H28ClN5O10S3.Na,,,,,,SJTMOIQQBWWNMR-UHFFFAOYSA-M,,,,,,,,,,,
100.091.227,300-396-8,93940-04-6,"Disodium 4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)azo]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 4-amino-3-({4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl}diazenyl)-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Cc5cc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O)c(N)cc5N,[Na+].[Na+].Cc5cc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O)c(N)cc5N,"InChI=1/C29H25N9O7S2.2Na/c1-15-11-22(21(31)14-20(15)30)36-33-18-7-9-19(10-8-18)35-37-27-23(46(40,41)42)12-16-13-24(47(43,44)45)28(29(39)25(16)26(27)32)38-34-17-5-3-2-4-6-17;;/h2-14,39H,30-32H2,1H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2",C29H25N9O7S2.2Na,,,,,,IQWZPWJAKXZFNJ-UHFFFAOYSA-L,,,,,,,,,,,
100.091.228,300-397-3,93940-05-7,"Trisodium 4-[[2,4-dihydroxy-3-[[4-(6-methyl-7-sulphonato[2,6'-bibenzothiazol]-2'-yl)phenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","trisodium 4-[(2,4-dihydroxy-3-{[4-(6-methyl-7-sulfonato-2,6'-bi-1,3-benzothiazol-2'-yl)phenyl]diazenyl}phenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c8c(c1)cc(cc8N=Nc7ccc(O)c(N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c7O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(O)c8c(c1)cc(cc8N=Nc7ccc(O)c(N=Nc2ccc(cc2)c3nc4ccc(cc4s3)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)c7O)S([O-])(=O)=O,"InChI=1/C37H24N6O12S5.3Na/c1-17-2-8-26-34(35(17)60(53,54)55)57-37(39-26)19-5-9-24-30(14-19)56-36(38-24)18-3-6-21(7-4-18)40-43-32-28(44)11-10-25(33(32)46)41-42-27-15-22(58(47,48)49)12-20-13-23(59(50,51)52)16-29(45)31(20)27;;;/h2-16,44-46H,1H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C37H24N6O12S5.3Na,,,,,,CKKAWZBUXZELMJ-UHFFFAOYSA-K,,,,,,,,,,,
100.087.442,296-230-6,92369-26-1,"Ethyl 3-(2,6,6-trimethylcyclohex-1-en-1-yl)acrylate","ethyl 3-(2,6,6-trimethylcyclohex-1-en-1-yl)acrylate",CCOC(=O)\\C=C\\C1=C(C)CCCC1(C)C,CCOC(=O)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C14H22O2/c1-5-16-13(15)9-8-12-11(2)7-6-10-14(12,3)4/h8-9H,5-7,10H2,1-4H3",C14H22O2,,,,,,SGHXYRRAFDSHBV-CMDGGOBGSA-N,,,,,,,,,,,
100.092.362,301-644-8,94023-46-8,"2-(heptadeca-8,11-dienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate","2-heptadeca-8,11-dien-1-yl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium acetate",OCC[NH+]1CC\\N=C1\\CCCCCCCC=CCC=CCCCCC.[O-]C(C)=O,OCC[NH+]1CC\N=C1\CCCCCCCC=CCC=CCCCCC.[O-]C(C)=O,"InChI=1/C22H40N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h6-7,9-10,25H,2-5,8,11-21H2,1H3;1H3,(H,3,4)",C22H40N2O.C2H4O2,,,,,,ZVAKMOYSMUCXTR-UHFFFAOYSA-N,,,,,,,,,,,
100.092.367,301-650-0,94023-52-6,Butyl 3-thienylacetate,butyl 3-thienylacetate,CCCCOC(=O)Cc1ccsc1,CCCCOC(=O)Cc1ccsc1,"InChI=1/C10H14O2S/c1-2-3-5-12-10(11)7-9-4-6-13-8-9/h4,6,8H,2-3,5,7H2,1H3",C10H14O2S,,,,,,NMZFYSUKQWEIBV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.371,301-654-2,94023-56-0,Lithium N-(2-carboxyethyl)-N-dodecyl-ß-alaninate,lithium 3-[(2-carboxyethyl)(dodecyl)amino]propanoate,[Li+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],[Li+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-],"InChI=1/C18H35NO4.Li/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;/h2-16H2,1H3,(H,20,21)(H,22,23);/q;+1/p-1",C18H35NO4.Li,,,,,,LYXLRNNMIVYSAT-UHFFFAOYSA-M,,,,,,,,,,,
100.087.881,296-713-1,92988-65-3,"Heptasodium hydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate","heptasodium hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H20N2O12P4.7Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;/q;7*+1/p-8",C6H20N2O12P4.7Na,,,,,,ZLDUVWQWLWIGBR-UHFFFAOYSA-F,,,,,,,,,,,
100.087.894,296-727-8,93028-35-4,"Eicosanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C20H40O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+2/p-1",-,,,,,,YQNCEMDLDYKAOL-UHFFFAOYSA-M,,,,,,,,,,,
100.089.325,298-304-3,93803-34-0,Disodium 4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]-7-[[[6-(vinylsulphonyl)bicyclo[2.2.1]hept-2-yl]carbonyl]amino]naphthalene-2-sulphonate,disodium 4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]-7-({[6-(vinylsulfonyl)bicyclo[2.2.1]hept-2-yl]carbonyl}amino)naphthalene-2-sulfonate,[Na+].[Na+].O=S(=O)(C=C)C2CC1CC(C2C1)C(=O)Nc4cc5cc(c(N=Nc3ccc(C)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,[Na+].[Na+].O=S(=O)(C=C)C2CC1CC(C2C1)C(=O)Nc4cc5cc(c(N=Nc3ccc(C)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O,"InChI=1/C27H27N3O10S3.2Na/c1-3-41(33,34)22-11-15-9-19(22)20(10-15)27(32)28-17-5-6-18-16(12-17)13-24(43(38,39)40)25(26(18)31)30-29-21-7-4-14(2)8-23(21)42(35,36)37;;/h3-8,12-13,15,19-20,22,31H,1,9-11H2,2H3,(H,28,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",C27H27N3O10S3.2Na,,,,,,RMKDAHFSZYFBGO-UHFFFAOYSA-L,,,,,,,,,,,
100.094.361,303-844-0,94231-28-4,"[dodecane-1,12-diylbis(dimethyloctylammonium)] dibromide","N,N,N',N'-tetramethyl-N,N'-dioctyldodecane-1,12-diaminium dibromide",[Br-].[Br-].CCCCCCCC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CCCCCCCC,[Br-].[Br-].CCCCCCCC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CCCCCCCC,"InChI=1/C32H70N2.2BrH/c1-7-9-11-13-21-25-29-33(3,4)31-27-23-19-17-15-16-18-20-24-28-32-34(5,6)30-26-22-14-12-10-8-2;;/h7-32H2,1-6H3;2*1H/q+2;;/p-2",C32H70N2.2Br,,,,,,MFGOUNNVWDVPJG-UHFFFAOYSA-L,,,,,,,,,,,
100.094.505,304-003-0,94232-74-3,2-ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate,2-ethylhexyl 4-(4-chloro-2-methylphenoxy)butanoate,CCCCC(CC)COC(=O)CCCOc1ccc(Cl)cc1C,CCCCC(CC)COC(=O)CCCOc1ccc(Cl)cc1C,"InChI=1/C19H29ClO3/c1-4-6-8-16(5-2)14-23-19(21)9-7-12-22-18-11-10-17(20)13-15(18)3/h10-11,13,16H,4-9,12,14H2,1-3H3",C19H29ClO3,,,,,,SOEMOICFERWGCW-UHFFFAOYSA-N,,,,,,,,,,,
100.096.502,306-203-3,96619-91-9,4-(propylamino)piperidine-4-carboxamide,4-(propylamino)piperidine-4-carboxamide,CCCNC1(CCNCC1)C(=O)N,CCCNC1(CCNCC1)C(=O)N,"InChI=1/C9H19N3O/c1-2-5-12-9(8(10)13)3-6-11-7-4-9/h11-12H,2-7H2,1H3,(H2,10,13)",C9H19N3O,,,,,,KZMRRQMCXODLGO-UHFFFAOYSA-N,,,,,,,,,,,
100.096.714,306-437-6,97259-74-0,Dichloropropoxytitanium,titanium(3+) dichloride propan-1-olate,CCCO[Ti](Cl)Cl,CCCO[Ti](Cl)Cl,"InChI=1/C3H7O.2ClH.Ti/c1-2-3-4;;;/h2-3H2,1H3;2*1H;/q-1;;;+3/p-2/rC3H7Cl2OTi/c1-2-3-6-7(4)5/h2-3H2,1H3",C3H7Cl2OTi,,,,,,YBXWYQQDQAVRCI-UHFFFAOYSA-L,,,,,,,,,,,
100.096.716,306-439-7,97259-76-2,Titanium tris(3-methylbutan-1-olate),-,[Ti+2].CC(C)CC[O-].CC(C)CC[O-].CC(C)CC[O-],[Ti+2].CC(C)CC[O-].CC(C)CC[O-].CC(C)CC[O-],"InChI=1/3C5H11O.Ti/c3*1-5(2)3-4-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+2",C5H12O.1/3Ti,,,,,,STEKBBWFDQLXEN-UHFFFAOYSA-N,,,,,,,,,,,
100.096.727,306-451-2,97259-87-5,"Tetrasodium 1,1'-[[5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diyl]diimino]bis[3-phenylpropane-1,3-disulphonate]","tetrasodium 1,1'-{[5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diyl]diimino}bis(3-phenylpropane-1,3-disulfonate)",[Na+].[Na+].[Na+].[Na+].COc1cc(Cc2cnc(NC(CC(c3ccccc3)S(=O)(=O)[O-])S(=O)(=O)[O-])nc2NC(CC(c4ccccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])cc(OC)c1OC,[Na+].[Na+].[Na+].[Na+].COc1cc(Cc2cnc(NC(CC(c3ccccc3)S(=O)(=O)[O-])S(=O)(=O)[O-])nc2NC(CC(c4ccccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])cc(OC)c1OC,"InChI=1/C32H38N4O15S4.4Na/c1-49-24-15-20(16-25(50-2)30(24)51-3)14-23-19-33-32(35-29(55(46,47)48)18-27(53(40,41)42)22-12-8-5-9-13-22)36-31(23)34-28(54(43,44)45)17-26(52(37,38)39)21-10-6-4-7-11-21;;;;/h4-13,15-16,19,26-29H,14,17-18H2,1-3H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36);;;;/q;4*+1/p-4",C32H38N4O15S4.4Na,,,,,,IQJQDQLPOSULRT-UHFFFAOYSA-J,,,,,,,,,,,
100.096.733,306-458-0,97259-94-4,Tris(2-hydroxyethyl)ammonium dimethylheptanoate,"2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium 2,2-dimethylheptanoate",CCCCCC(C)(C)C(=O)[O-].OCC[NH+](CCO)CCO,CCCCCC(C)(C)C(=O)[O-].OCC[NH+](CCO)CCO,"InChI=1/C9H18O2.C6H15NO3/c1-4-5-6-7-9(2,3)8(10)11;8-4-1-7(2-5-9)3-6-10/h4-7H2,1-3H3,(H,10,11);8-10H,1-6H2",C9H18O2.C6H15NO3,,,,,,YDBGWUWOAKILBV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.535,304-036-0,94233-06-4,Bis[6-[[4-(diethylamino)-o-tolyl]azo]-3-methoxy-1-methylpyridazinium] tetrachlorozincate(2-),bis(6-{[4-(diethylamino)-2-methylphenyl]diazenyl}-3-methoxy-1-methylpyridazin-1-ium) tetrachlorozincate(2-),COc2ccc(N=Nc1ccc(cc1C)N(CC)CC)[n+](C)n2.Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c2ccc(N=Nc1ccc(OC)n[n+]1C)c(C)c2,COc2ccc(N=Nc1ccc(cc1C)N(CC)CC)[n+](C)n2.Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c2ccc(N=Nc1ccc(OC)n[n+]1C)c(C)c2,"InChI=1/2C17H24N5O.4ClH.Zn/c2*1-6-22(7-2)14-8-9-15(13(3)12-14)18-19-16-10-11-17(23-5)20-21(16)4;;;;;/h2*8-12H,6-7H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H24N5O.Cl4Zn/c2*1-6-22(7-2)14-8-9-15(13(3)12-14)18-19-16-10-11-17(23-5)20-21(16)4;1-5(2,3)4/h2*8-12H,6-7H2,1-5H3;/q2*+1;-2",C17H24N5O.1/2Cl4Zn,,,,,,UUOFYQOHDPZIJI-UHFFFAOYSA-J,,,,,,,,,,,
100.096.519,306-222-7,96646-72-9,"2-O-(2,3,4-tri-O-acetyl-6-deoxy-a-L-mannopyranosyl)-D-glucose tetraacetate","3,4,5,6-tetra-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-D-glucose",C[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C,C[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C,"InChI=1/C26H36O17/c1-11-21(38-14(4)30)24(41-17(7)33)25(42-18(8)34)26(36-11)43-19(9-27)22(39-15(5)31)23(40-16(6)32)20(37-13(3)29)10-35-12(2)28/h9,11,19-26H,10H2,1-8H3",C26H36O17,,,,,,CJKPKKQINBPEMV-JKXWTTGASA-N,,,,,,,,,,,
100.096.520,306-223-2,96648-14-5,"(3'a,4'a,5'ß,6'aa)-5'-(benzoyloxy)hexahydrospiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4'-methanol","4'-(hydroxymethyl)hexahydro-1'H-spiro[1,3-dioxolane-2,2'-pentalen]-5'-yl benzoate",OC[C@@H]1[C@H](C[C@H]2CC3(CC12)OCCO3)OC(=O)c4ccccc4,OC[C@@H]1[C@H](C[C@H]2CC3(CC12)OCCO3)OC(=O)c4ccccc4,"InChI=1/C18H22O5/c19-11-15-14-10-18(21-6-7-22-18)9-13(14)8-16(15)23-17(20)12-4-2-1-3-5-12/h1-5,13-16,19H,6-11H2",C18H22O5,,,,,,FYOSUIUCEARTOE-PBBYBOOSSA-N,,,,,,,,,,,
100.096.521,306-224-8,96648-15-6,"(3'aa,4'a,5'ß,6'aa)-5'-[[(tert-butyl)dimethylsilyl]oxy]hexahydrospiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4'-methanol","(5'-{[tert-butyl(dimethyl)silyl]oxy}hexahydro-1'H-spiro[1,3-dioxolane-2,2'-pentalen]-4'-yl)methanol",CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC3(C[C@H]2[C@@H]1CO)OCCO3,CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC3(C[C@H]2[C@@H]1CO)OCCO3,"InChI=1/C17H32O4Si/c1-16(2,3)22(4,5)21-15-8-12-9-17(19-6-7-20-17)10-13(12)14(15)11-18/h12-15,18H,6-11H2,1-5H3",C17H32O4Si,,,,,,ADRWUKNDQZKRCK-XGUBFFRZSA-N,,,,,,,,,,,
100.096.670,306-388-0,97171-71-6,"Triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate]","triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tris(hexane-6,1-diylcarbamoyl)]tris(3-oxobutanoate)",CCOC(=O)C(C(=O)C)C(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)C(C(=O)C)C(=O)OCC)C(=O)N(CCCCCCNC(=O)C(C(=O)C)C(=O)OCC)C1=O,CCOC(=O)C(C(=O)C)C(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)C(C(=O)C)C(=O)OCC)C(=O)N(CCCCCCNC(=O)C(C(=O)C)C(=O)OCC)C1=O,"InChI=1/C42H66N6O15/c1-7-61-37(55)31(28(4)49)34(52)43-22-16-10-13-19-25-46-40(58)47(26-20-14-11-17-23-44-35(53)32(29(5)50)38(56)62-8-2)42(60)48(41(46)59)27-21-15-12-18-24-45-36(54)33(30(6)51)39(57)63-9-3/h31-33H,7-27H2,1-6H3,(H,43,52)(H,44,53)(H,45,54)",C42H66N6O15,,,,,,TVSYZWNHHXOLFE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.315,303-793-4,94230-82-7,N-(2-bromo-4-methyl-1-oxopentyl)-DL-leucine,N-(2-bromo-4-methylpentanoyl)-L-leucine,CC(C)CC(Br)C(=O)N[C@@H](CC(C)C)C(=O)O,CC(C)CC(Br)C(=O)N[C@@H](CC(C)C)C(=O)O,"InChI=1/C12H22BrNO3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6H2,1-4H3,(H,14,15)(H,16,17)",C12H22BrNO3,,,,,,SKIOHEOZWHHOCD-AXDSSHIGSA-N,,,,,,,,,,,
100.094.338,303-818-9,94231-05-7,Ethyltriphenylphosphonium phenolate,ethyl(triphenyl)phosphonium phenolate,CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4,CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4,"InChI=1/C20H20P.C6H6O/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;7-6-4-2-1-3-5-6/h3-17H,2H2,1H3;1-5,7H/q+1;/p-1",C20H20P.C6H5O,,,,,,IGIVLQRACADPFJ-UHFFFAOYSA-M,,,,,,,,,,,
100.094.933,304-473-7,94275-85-1,Chromium(2+) acrylate,chromium(2+) diacrylate,[Cr+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Cr+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Cr/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.1/2Cr,,,,,,JUPDCLPDWJDLRJ-UHFFFAOYSA-L,,,,,,,,,,,
100.094.935,304-475-8,94275-87-3,Titanium(4+) methacrylate,titanium(4+) tetrakis(2-methylacrylate),[Ti+4].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Ti+4].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/4C4H6O2.Ti/c4*1-3(2)4(5)6;/h4*1H2,2H3,(H,5,6);/q;;;;+4/p-4",C4H6O2.1/4Ti,,,,,,OZEJSNMTATYGKV-UHFFFAOYSA-J,,,,,,,,,,,
100.094.938,304-478-4,94275-90-8,"Calcium hydrogen 3,4,5,6-tetrachlorophthalate",-,[H+].[Ca+2].O=C(Cl)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C(Cl)=O.[O-]C(=O)c1ccccc1C(Cl)=O.[O-]C(=O)c1ccccc1C(Cl)=O,[H+].[Ca+2].O=C(Cl)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C(Cl)=O.[O-]C(=O)c1ccccc1C(Cl)=O.[O-]C(=O)c1ccccc1C(Cl)=O,"InChI=1/4C8H5ClO3.Ca.H2/c4*9-7(10)5-3-1-2-4-6(5)8(11)12;;/h4*1-4H,(H,11,12);;1H/q;;;;+2;+1/p-4",C8H2Cl4O4.1/2Ca,,,,,,WKTOSYYHOIXZAM-UHFFFAOYSA-K,,,,,,,,,,,
100.094.955,304-497-8,94276-08-1,"4-[(2,4-dichlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide","4-[(2,4-dichlorophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)-2-naphthamide",Clc4cc(Cl)ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O,Clc4cc(Cl)ccc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O,"InChI=1/C24H17Cl2N3O2/c1-14-6-2-5-9-20(14)27-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)29-28-21-11-10-16(25)13-19(21)26/h2-13,30H,1H3,(H,27,31)",C24H17Cl2N3O2,,,,,,SLPRWGABVRKMBE-UHFFFAOYSA-N,,,,,,,,,,,
100.096.682,306-402-5,97171-83-0,Diethylammonium 2-(4-chloro-2-methylphenoxy)propionate,N-ethylethanaminium 2-(4-chloro-2-methylphenoxy)propanoate,CC[NH2+]CC.CC(Oc1ccc(Cl)cc1C)C(=O)[O-],CC[NH2+]CC.CC(Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.C4H11N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-5-4-2/h3-5,7H,1-2H3,(H,12,13);5H,3-4H2,1-2H3",C10H11ClO3.C4H11N,,,,,,YWWMOSBBXLVHSK-UHFFFAOYSA-N,,,,,,,,,,,
100.096.701,306-422-4,97259-61-5,2-(1-methylenepropyl)pyridine,2-(1-methylenepropyl)pyridine,CCC(=C)c1ccccn1,CCC(=C)c1ccccn1,"InChI=1/C9H11N/c1-3-8(2)9-6-4-5-7-10-9/h4-7H,2-3H2,1H3",C9H11N,,,,,,UMRYOLDOKZBWKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.703,306-425-0,97259-63-7,"2,2'-[[3-[2-(dodecyloxy)ethoxy]propyl]imino]bisethanol","2,2'-({3-[2-(dodecyloxy)ethoxy]propyl}imino)diethanol",CCCCCCCCCCCCOCCOCCCN(CCO)CCO,CCCCCCCCCCCCOCCOCCCN(CCO)CCO,"InChI=1/C21H45NO4/c1-2-3-4-5-6-7-8-9-10-11-18-25-20-21-26-19-12-13-22(14-16-23)15-17-24/h23-24H,2-21H2,1H3",C21H45NO4,,,,,,XITWNPISXBICLI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.710,306-432-9,97259-70-6,N-(2-butoxyethyl)-N-ethyl-4-[(5-nitro-2-thiazolyl)azo]aniline,"N-(2-butoxyethyl)-N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline",CCN(CCOCCCC)c1ccc(cc1)N=Nc2ncc(s2)[N+]([O-])=O,CCN(CCOCCCC)c1ccc(cc1)N=Nc2ncc(s2)[N+]([O-])=O,"InChI=1/C17H23N5O3S/c1-3-5-11-25-12-10-21(4-2)15-8-6-14(7-9-15)19-20-17-18-13-16(26-17)22(23)24/h6-9,13H,3-5,10-12H2,1-2H3",C17H23N5O3S,,,,,,CDNQZZFCKSPREX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.358,303-840-9,94231-25-1,"Dodecan-1,12-diylbis(benzyldimethylammonium) dichloride","N,N'-dibenzyl-N,N,N',N'-tetramethyldodecane-1,12-diaminium dichloride",[Cl-].[Cl-].C[N+](C)(CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1)Cc2ccccc2,[Cl-].[Cl-].C[N+](C)(CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1)Cc2ccccc2,"InChI=1/C30H50N2.2ClH/c1-31(2,27-29-21-15-13-16-22-29)25-19-11-9-7-5-6-8-10-12-20-26-32(3,4)28-30-23-17-14-18-24-30;;/h13-18,21-24H,5-12,19-20,25-28H2,1-4H3;2*1H/q+2;;/p-2",C30H50N2.2Cl,,,,,,YPBOGOKUBITHPK-UHFFFAOYSA-L,,,,,,,,,,,
100.094.369,303-852-4,94231-36-4,L-histidine S-malate,L-histidine - 2-hydroxysuccinic acid (1:1),N[C@@H](Cc1c[nH]cn1)C(=O)O.O[C@@H](CC(=O)O)C(=O)O,N[C@@H](Cc1c[nH]cn1)C(=O)O.O[C@@H](CC(=O)O)C(=O)O,"InChI=1/C6H9N3O2.C4H6O5/c7-5(6(10)11)1-4-2-8-3-9-4;5-2(4(8)9)1-3(6)7/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2,5H,1H2,(H,6,7)(H,8,9)",C6H9N3O2.C4H6O5,,,,,,MTWBOTIEQZVKCT-KNIFDHDWSA-N,,,,,,,,,,,
100.094.374,303-858-7,94231-41-1,"1,18-octadecanediyl bismethacrylate","octadecane-1,18-diyl bis(2-methylacrylate)",CC(=C)C(=O)OCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,CC(=C)C(=O)OCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1/C26H46O4/c1-23(2)25(27)29-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-30-26(28)24(3)4/h1,3,5-22H2,2,4H3",C26H46O4,,,,,,FDSSBYGJHFPUAI-UHFFFAOYSA-N,,,,,,,,,,,
100.084.224,292-680-2,90799-56-7,7-chloro-5-methylquinolin-8-ol,7-chloro-5-methylquinolin-8-ol,Cc1cc(Cl)c(O)c2ncccc12,Cc1cc(Cl)c(O)c2ncccc12,"InChI=1/C10H8ClNO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9/h2-5,13H,1H3",C10H8ClNO,,,,,,ZIOISVUUZNUJNX-UHFFFAOYSA-N,,,,,,,,,,,
100.079.453,287-428-3,85508-05-0,"Pentachloro-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","1,2,3,4,5-pentachloro-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one",Clc1cc2C(=O)n3c(nc4ccccc34)c5c(Cl)c(Cl)c(Cl)c(c1Cl)c25,Clc1cc2C(=O)n3c(nc4ccccc34)c5c(Cl)c(Cl)c(Cl)c(c1Cl)c25,InChI=1/C18H5Cl5N2O/c19-7-5-6-10-11(13(7)20)14(21)16(23)15(22)12(10)17-24-8-3-1-2-4-9(8)25(17)18(6)26/h1-5H,C18H5Cl5N2O,,,,,,UUGQSBNOQIHGAU-UHFFFAOYSA-N,,,,,,,,,,,
100.079.459,287-435-1,85508-11-8,"2-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl]azo]-5-[[4-fluoro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonic acid","2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-1,6-dihydropyridin-3-yl]diazenyl}-5-({4-fluoro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzene-1,4-disulfonic acid",O=C4C(/CS(O)(=O)=O)=C(/C)\\C(\\N=Nc3cc(c(Nc2nc(F)nc(Nc1cccc(c1)S(O)(=O)=O)n2)cc3S(O)(=O)=O)S(O)(=O)=O)=C(\\O)N4CC,O=C4C(/CS(O)(=O)=O)=C(/C)\C(\N=Nc3cc(c(Nc2nc(F)nc(Nc1cccc(c1)S(O)(=O)=O)n2)cc3S(O)(=O)=O)S(O)(=O)=O)=C(\O)N4CC,"InChI=1/C24H23FN8O14S4/c1-3-33-20(34)14(10-48(36,37)38)11(2)19(21(33)35)32-31-16-9-17(50(42,43)44)15(8-18(16)51(45,46)47)27-24-29-22(25)28-23(30-24)26-12-5-4-6-13(7-12)49(39,40)41/h4-9,35H,3,10H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,26,27,28,29,30)",C24H23FN8O14S4,,,,,,OXXDFQVBEVNRJM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.463,287-439-3,85508-15-2,Bis(2-aminoethyl) dodecyl phosphate,bis(2-aminoethyl) dodecyl phosphate,CCCCCCCCCCCCOP(=O)(OCCN)OCCN,CCCCCCCCCCCCOP(=O)(OCCN)OCCN,"InChI=1/C16H37N2O4P/c1-2-3-4-5-6-7-8-9-10-11-14-20-23(19,21-15-12-17)22-16-13-18/h2-18H2,1H3",C16H37N2O4P,,,,,,JRTPEOMCPOZXQW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.464,287-440-9,85508-16-3,Bis(2-aminoethyl) tetradecyl phosphate,bis(2-aminoethyl) tetradecyl phosphate,NCCOP(=O)(OCCCCCCCCCCCCCC)OCCN,NCCOP(=O)(OCCCCCCCCCCCCCC)OCCN,"InChI=1/C18H41N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-25(21,23-17-14-19)24-18-15-20/h2-20H2,1H3",C18H41N2O4P,,,,,,GARGLLBNNYXEGY-UHFFFAOYSA-N,,,,,,,,,,,
100.079.465,287-441-4,85508-17-4,Bis(2-aminoethyl) hexadecyl phosphate,bis(2-aminoethyl) hexadecyl phosphate,NCCOP(=O)(OCCN)OCCCCCCCCCCCCCCCC,NCCOP(=O)(OCCN)OCCCCCCCCCCCCCCCC,"InChI=1/C20H45N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-27(23,25-19-16-21)26-20-17-22/h2-22H2,1H3",C20H45N2O4P,,,,,,CYRYFJMOBJULDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.209,289-362-0,87994-61-4,"1,3-bis[[[3-(aminomethyl)phenyl]methyl]amino]propan-2-ol","1,3-bis{[3-(aminomethyl)benzyl]amino}propan-2-ol",NCc1cccc(CNCC(O)CNCc2cccc(CN)c2)c1,NCc1cccc(CNCC(O)CNCc2cccc(CN)c2)c1,"InChI=1/C19H28N4O/c20-9-15-3-1-5-17(7-15)11-22-13-19(24)14-23-12-18-6-2-4-16(8-18)10-21/h1-8,19,22-24H,9-14,20-21H2",C19H28N4O,,,,,,HVRVCYZDRAHSHG-UHFFFAOYSA-N,,,,,,,,,,,
100.081.210,289-363-6,87994-62-5,"9,9-bis[2-(2-methoxyethoxy)ethoxy]-N-methyl-2,5,8-trioxa-9-siladodecan-12-amine","9,9-bis[2-(2-methoxyethoxy)ethoxy]-N-methyl-2,5,8-trioxa-9-siladodecan-12-amine",CNCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC,CNCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC,"InChI=1/C19H43NO9Si/c1-20-6-5-19-30(27-16-13-24-10-7-21-2,28-17-14-25-11-8-22-3)29-18-15-26-12-9-23-4/h20H,5-19H2,1-4H3",C19H43NO9Si,,,,,,DRGOPUOUFJYCRI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.211,289-364-1,87994-63-6,"9,9-bis[2-(2-methoxyethoxy)ethoxy]-2,5,8-trioxa-9-siladodecan-12-thiol","9,9-bis[2-(2-methoxyethoxy)ethoxy]-2,5,8-trioxa-9-siladodecane-12-thiol",COCCOCCO[Si](CCCS)(OCCOCCOC)OCCOCCOC,COCCOCCO[Si](CCCS)(OCCOCCOC)OCCOCCOC,"InChI=1/C18H40O9SSi/c1-19-5-8-22-11-14-25-29(18-4-17-28,26-15-12-23-9-6-20-2)27-16-13-24-10-7-21-3/h28H,4-18H2,1-3H3",C18H40O9SSi,,,,,,RRBCERZNBADYMC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.214,289-367-8,87996-55-2,4'-chloro-4-trifluoromethoxybenzophenone,(4-chlorophenyl)[4-(trifluoromethoxy)phenyl]methanone,FC(F)(F)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,FC(F)(F)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,"InChI=1/C14H8ClF3O2/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H",C14H8ClF3O2,,,,,,HKXKIYARIGTDNN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.217,289-370-4,87996-58-5,4'-fluoro-4-trifluoromethylthiobenzophenone,(4-fluorophenyl){4-[(trifluoromethyl)sulfanyl]phenyl}methanone,Fc1ccc(cc1)C(=O)c2ccc(SC(F)(F)F)cc2,Fc1ccc(cc1)C(=O)c2ccc(SC(F)(F)F)cc2,"InChI=1/C14H8F4OS/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H",C14H8F4OS,,,,,,PMSGNDUMSOWFEK-UHFFFAOYSA-N,,,,,,,,,,,
100.081.231,289-386-1,88124-27-0,Etazepine,"11-ethoxy-5-methyl-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one",CCOC1c2ccccc2N(C)C(=O)c3ccccc13,CCOC1c2ccccc2N(C)C(=O)c3ccccc13,"InChI=1/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3",C17H17NO2,,,,,,BLGFGFHRMMDRPC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.232,289-387-7,88127-80-4,"10,10-bis[2-(2-ethoxyethoxy)ethoxy]-3,6,9-trioxa-10-silatridecan-13-amine","10,10-bis[2-(2-ethoxyethoxy)ethoxy]-3,6,9-trioxa-10-silatridecan-13-amine",CCOCCOCCO[Si](CCCN)(OCCOCCOCC)OCCOCCOCC,CCOCCOCCO[Si](CCCN)(OCCOCCOCC)OCCOCCOCC,"InChI=1/C21H47NO9Si/c1-4-23-9-12-26-15-18-29-32(21-7-8-22,30-19-16-27-13-10-24-5-2)31-20-17-28-14-11-25-6-3/h4-22H2,1-3H3",C21H47NO9Si,,,,,,PSEYDFDQUJPHJH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.329,298-309-0,93803-38-4,"Trisodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 4-amino-3-({4'-[(2-amino-4-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].COc6ccc(N=Nc5c(cc4cc(c(N=Nc1ccc(cc1)c3ccc(N=Nc2ccc(O)cc2N)cc3)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc6ccc(N=Nc5c(cc4cc(c(N=Nc1ccc(cc1)c3ccc(N=Nc2ccc(O)cc2N)cc3)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O,"InChI=1/C35H28N8O12S3.3Na/c1-55-24-11-13-27(28(17-24)56(46,47)48)41-43-34-30(58(52,53)54)15-20-14-29(57(49,50)51)33(32(37)31(20)35(34)45)42-39-22-8-4-19(5-9-22)18-2-6-21(7-3-18)38-40-26-12-10-23(44)16-25(26)36;;;/h2-17,44-45H,36-37H2,1H3,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C35H28N8O12S3.3Na,,,,,,YWWQMHSIHWVLFD-UHFFFAOYSA-K,,,,,,,,,,,
100.089.331,298-311-1,93803-40-8,Disodium 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate,disodium 2-{[4-({2-hydroxy-5-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]amino}-5-nitrobenzenesulfonate,[Na+].[Na+].Oc3ccc(cc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O,[Na+].[Na+].Oc3ccc(cc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C24H18N6O11S2.2Na/c31-22-10-5-16(26-20-9-7-18(30(34)35)13-24(20)43(39,40)41)11-21(22)28-27-15-3-1-14(2-4-15)25-19-8-6-17(29(32)33)12-23(19)42(36,37)38;;/h1-13,25-26,31H,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",C24H18N6O11S2.2Na,,,,,,OFIKJWLVHDMOMC-UHFFFAOYSA-L,,,,,,,,,,,
100.089.335,298-315-3,93803-44-2,"Bis(2-ethylhexyl) 3,3'-[methylenebis(thio)]bispropionate","bis(2-ethylhexyl) 3,3'-(methylenedisulfanediyl)dipropanoate",CCCCC(CC)COC(=O)CCSCSCCC(=O)OCC(CC)CCCC,CCCCC(CC)COC(=O)CCSCSCCC(=O)OCC(CC)CCCC,"InChI=1/C23H44O4S2/c1-5-9-11-20(7-3)17-26-22(24)13-15-28-19-29-16-14-23(25)27-18-21(8-4)12-10-6-2/h20-21H,5-19H2,1-4H3",C23H44O4S2,,,,,,YIQGCJSWUAFGQE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.339,298-320-0,93803-49-7,"Dihydrofuran-2,3-dione 3-[(4-hydroxyphenyl)hydrazone]",3-[(4-hydroxyphenyl)hydrazono]dihydrofuran-2(3H)-one,Oc1ccc(cc1)NN=C2CCOC2=O,Oc1ccc(cc1)NN=C2CCOC2=O,"InChI=1/C10H10N2O3/c13-8-3-1-7(2-4-8)11-12-9-5-6-15-10(9)14/h1-4,11,13H,5-6H2",C10H10N2O3,,,,,,JJBRPKOCBITOQD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.347,298-328-4,93803-57-7,"2,2'-methylenebis[6-cyclooctyl-4-isopropylphenol]","2,2'-methylenebis(6-cyclooctyl-4-isopropylphenol)",CC(C)c1cc(Cc2cc(cc(C3CCCCCCC3)c2O)C(C)C)c(O)c(c1)C4CCCCCCC4,CC(C)c1cc(Cc2cc(cc(C3CCCCCCC3)c2O)C(C)C)c(O)c(c1)C4CCCCCCC4,"InChI=1/C35H52O2/c1-24(2)28-19-30(34(36)32(22-28)26-15-11-7-5-8-12-16-26)21-31-20-29(25(3)4)23-33(35(31)37)27-17-13-9-6-10-14-18-27/h19-20,22-27,36-37H,5-18,21H2,1-4H3",C35H52O2,,,,,,LLEGIWXOFYVFCM-UHFFFAOYSA-N,,,,,,,,,,,
100.089.352,298-334-7,93803-62-4,"2,2'-methylenebis[4,6-dicyclopentylphenol]","2,2'-methylenebis(4,6-dicyclopentylphenol)",Oc1c(Cc2cc(cc(C3CCCC3)c2O)C4CCCC4)cc(cc1C5CCCC5)C6CCCC6,Oc1c(Cc2cc(cc(C3CCCC3)c2O)C4CCCC4)cc(cc1C5CCCC5)C6CCCC6,"InChI=1/C33H44O2/c34-32-28(17-26(22-9-1-2-10-22)20-30(32)24-13-5-6-14-24)19-29-18-27(23-11-3-4-12-23)21-31(33(29)35)25-15-7-8-16-25/h17-18,20-25,34-35H,1-16,19H2",C33H44O2,,,,,,NINOVOIDPXKQRK-UHFFFAOYSA-N,,,,,,,,,,,
100.089.354,298-336-8,93803-64-6,"3,3'-methylenebis[1-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-2-naphthol]","3,3'-methylenebis(1-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol)",CC(C)(C)c1c(O)c(Cc2cc3CCCCc3c(c2O)C(C)(C)C)cc4CCCCc14,CC(C)(C)c1c(O)c(Cc2cc3CCCCc3c(c2O)C(C)(C)C)cc4CCCCc14,"InChI=1/C29H40O2/c1-28(2,3)24-22-13-9-7-11-18(22)15-20(26(24)30)17-21-16-19-12-8-10-14-23(19)25(27(21)31)29(4,5)6/h15-16,30-31H,7-14,17H2,1-6H3",C29H40O2,,,,,,OADXKVRWSMWMFN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.357,298-339-4,93803-67-9,3-[[2-(2-methoxyethoxy)ethyl]amino]phenol,3-{[2-(2-methoxyethoxy)ethyl]amino}phenol,COCCOCCNc1cccc(O)c1,COCCOCCNc1cccc(O)c1,"InChI=1/C11H17NO3/c1-14-7-8-15-6-5-12-10-3-2-4-11(13)9-10/h2-4,9,12-13H,5-8H2,1H3",C11H17NO3,,,,,,DOWWLIAIDNHGRC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.238,300-408-1,93940-15-9,"Disodium 1-amino-4-bromo-9,10-dihydro-9,10-dioxoanthracene-2,5-disulphonate","disodium 5-amino-8-bromo-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonate",[Na+].[Na+].Nc1c2C(=O)c3cccc(c3C(=O)c2c(Br)cc1S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Nc1c2C(=O)c3cccc(c3C(=O)c2c(Br)cc1S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C14H8BrNO8S2.2Na/c15-6-4-8(26(22,23)24)12(16)11-10(6)14(18)9-5(13(11)17)2-1-3-7(9)25(19,20)21;;/h1-4H,16H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2",C14H8BrNO8S2.2Na,,,,,,DVCJPUJHOIUTEL-UHFFFAOYSA-L,,,,,,,,,,,
100.091.248,300-419-1,93940-25-1,"1-(3,4-diethoxyphenyl)-6,7-diethoxyisoquinolinium chloride","1-(3,4-diethoxyphenyl)-6,7-diethoxyisoquinolinium chloride",[Cl-].CCOc1ccc(cc1OCC)c2[nH+]ccc3cc(OCC)c(OCC)cc23,[Cl-].CCOc1ccc(cc1OCC)c2[nH+]ccc3cc(OCC)c(OCC)cc23,"InChI=1/C23H27NO4.ClH/c1-5-25-19-10-9-17(14-20(19)26-6-2)23-18-15-22(28-8-4)21(27-7-3)13-16(18)11-12-24-23;/h9-15H,5-8H2,1-4H3;1H",C23H27NO4.ClH,,,,,,XLXNBZYNEIRAJA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.249,300-420-7,93940-26-2,Acetylphthalic acid,3-acetylphthalic acid,CC(=O)c1cccc(C(=O)O)c1C(=O)O,CC(=O)c1cccc(C(=O)O)c1C(=O)O,"InChI=1/C10H8O5/c1-5(11)6-3-2-4-7(9(12)13)8(6)10(14)15/h2-4H,1H3,(H,12,13)(H,14,15)",C10H8O5,,,,,,QFNYIIZQJHOGII-UHFFFAOYSA-N,,,,,,,,,,,
100.093.000,302-347-6,94108-09-5,"Ethyl 2-[[[4-(1,1-dimethylethyl)phenyl]methylene]amino]benzoate",ethyl 2-[(4-tert-butylbenzylidene)amino]benzoate,CC(C)(C)c2ccc(C=Nc1ccccc1C(=O)OCC)cc2,CC(C)(C)c2ccc(C=Nc1ccccc1C(=O)OCC)cc2,"InChI=1/C20H23NO2/c1-5-23-19(22)17-8-6-7-9-18(17)21-14-15-10-12-16(13-11-15)20(2,3)4/h6-14H,5H2,1-4H3",C20H23NO2,,,,,,CKBPPQQVZFDIKN-UHFFFAOYSA-N,,,,,,,,,,,
100.098.289,308-170-0,97889-91-3,"(+)-2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzofuran-3(9bH)-one, monosodium salt",-,[Na+].CC(=O)C1=C(O)C2(C)C(=CC1=O)Oc3c(C(=O)C)c(O)c(C)c(O)c23,[Na+].CC(=O)C1=C(O)C2(C)C(=CC1=O)Oc3c(C(=O)C)c(O)c(C)c(O)c23,"InChI=1/C18H16O7.Na/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,22-24H,1-4H3;/q;+1",C18H16O7.Na,,,,,,GCPHQSMZTZYLKO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.580,304-085-8,94236-88-1,Sodium 2-[(2-ethylhexyl)amino]ethanesulphonate,sodium 2-[(2-ethylhexyl)amino]ethanesulfonate,[Na+].CCCCC(CC)CNCCS(=O)(=O)[O-],[Na+].CCCCC(CC)CNCCS(=O)(=O)[O-],"InChI=1/C10H23NO3S.Na/c1-3-5-6-10(4-2)9-11-7-8-15(12,13)14;/h10-11H,3-9H2,1-2H3,(H,12,13,14);/q;+1/p-1",C10H23NO3S.Na,,,,,,QBSWOJHMHBPQTR-UHFFFAOYSA-M,,,,,,,,,,,
100.094.583,304-088-4,94236-91-6,2-chloroethyl 4-[bis(2-chloroethyl)amino]phenylbutyrate,2-chloroethyl 4-{2-[bis(2-chloroethyl)amino]phenyl}butanoate,ClCCOC(=O)CCCc1ccccc1N(CCCl)CCCl,ClCCOC(=O)CCCc1ccccc1N(CCCl)CCCl,"InChI=1/C16H22Cl3NO2/c17-8-11-20(12-9-18)15-6-2-1-4-14(15)5-3-7-16(21)22-13-10-19/h1-2,4,6H,3,5,7-13H2",C16H22Cl3NO2,,,,,,XKPZBHISWJRFSN-UHFFFAOYSA-N,,,,,,,,,,,
100.096.593,306-303-7,96846-67-2,"1,1-dimethyl-5-methyleneheptyl butyrate","1,1-dimethyl-5-methyleneheptyl butyrate",CCCC(=O)OC(C)(C)CCCC(=C)CC,CCCC(=O)OC(C)(C)CCCC(=C)CC,"InChI=1/C14H26O2/c1-6-9-13(15)16-14(4,5)11-8-10-12(3)7-2/h3,6-11H2,1-2,4-5H3",C14H26O2,,,,,,PGZPJUINMYJERW-UHFFFAOYSA-N,,,,,,,,,,,
100.098.294,308-175-8,97889-96-8,"3,7-dimethyloct-6-en-2-yl propionate","1,2,6-trimethylhept-5-en-1-yl propionate",CCC(=O)OC(C)C(C)CCC=C(C)C,CCC(=O)OC(C)C(C)CCC=C(C)C,"InChI=1/C13H24O2/c1-6-13(14)15-12(5)11(4)9-7-8-10(2)3/h8,11-12H,6-7,9H2,1-5H3",C13H24O2,,,,,,PVOXDQPDUIZDLB-UHFFFAOYSA-N,,,,,,,,,,,
100.098.299,308-181-0,97890-01-2,Methyl N-[4-[(2-chloro-4-nitrophenyl)azo]-3-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate,"dimethyl 3,3'-({4-[(2-chloro-4-nitrophenyl)diazenyl]-3-(propionylamino)phenyl}imino)dipropanoate (non-preferred name)",Clc2cc(ccc2N=Nc1ccc(cc1NC(=O)CC)N(CCC(=O)OC)CCC(=O)OC)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1NC(=O)CC)N(CCC(=O)OC)CCC(=O)OC)[N+]([O-])=O,"InChI=1/C23H26ClN5O7/c1-4-21(30)25-20-14-15(28(11-9-22(31)35-2)12-10-23(32)36-3)5-8-19(20)27-26-18-7-6-16(29(33)34)13-17(18)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,30)",C23H26ClN5O7,,,,,,CUIFFOMNMAXKCL-UHFFFAOYSA-N,,,,,,,,,,,
100.098.308,308-191-5,97890-11-4,Ethyl N-(2-isobutyl-4-methyl-1-oxopentyl)glycinate,ethyl N-(2-isobutyl-4-methylpentanoyl)glycinate,CCOC(=O)CNC(=O)C(CC(C)C)CC(C)C,CCOC(=O)CNC(=O)C(CC(C)C)CC(C)C,"InChI=1/C14H27NO3/c1-6-18-13(16)9-15-14(17)12(7-10(2)3)8-11(4)5/h10-12H,6-9H2,1-5H3,(H,15,17)",C14H27NO3,,,,,,CFOMVURYDYTOEE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.600,304-107-6,94237-08-8,"Methoxydimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane","methoxy(dimethyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",CO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H13F13OSi/c1-25-26(2,3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3",C11H13F13OSi,,,,,,JCXUMXSOKCFWQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.604,304-111-8,94237-12-4,"2-[[[[3-(acryloyloxy)-2,2-bis[(acryloyloxy)methyl]propoxy]methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy]methyl]-2-[(acryloyloxy)methyl]propane-1,3-diyl diacrylate","2,2,9,9-tetrakis[(acryloyloxy)methyl]-12-oxo-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-4,7,11-trioxa-5-silatetradec-13-en-1-yl acrylate (non-preferred name)",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH](COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH](COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C37H41F13O14Si/c1-7-24(51)58-16-30(17-59-25(52)8-2,18-60-26(53)9-3)15-57-23-65(14-13-32(38,39)33(40,41)34(42,43)35(44,45)36(46,47)37(48,49)50)64-22-31(19-61-27(54)10-4,20-62-28(55)11-5)21-63-29(56)12-6/h7-12,65H,1-6,13-23H2",C37H41F13O14Si,,,,,,BNLPWLDLWVJTKW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.605,304-112-3,94237-13-5,"2-[(acryloyloxy)methyl]-2-[[[bis[3-(acryloyloxy)-2,2-bis[(acryloyloxy)methyl]propoxy](3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy]methyl]propane-1,3-diyl diacrylate",-,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C50H55F13O21Si/c1-10-33(64)73-21-42(22-74-34(65)11-2,23-75-35(66)12-3)30-82-85(20-19-45(51,52)46(53,54)47(55,56)48(57,58)49(59,60)50(61,62)63,83-31-43(24-76-36(67)13-4,25-77-37(68)14-5)26-78-38(69)15-6)84-32-44(27-79-39(70)16-7,28-80-40(71)17-8)29-81-41(72)18-9/h10-18H,1-9,19-32H2",C50H55F13O21Si,,,,,,BNJYLQUDLJSQIH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.609,304-117-0,94237-17-9,"1,1-dichloro-3,3,3-trimethyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)disiloxane","1,1-dichloro-3,3,3-trimethyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)disiloxane",C[Si](C)(C)O[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,C[Si](C)(C)O[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H13Cl2F13OSi2/c1-28(2,3)27-29(12,13)5-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h4-5H2,1-3H3",C11H13Cl2F13OSi2,,,,,,KPVGLNAGKNDXKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.503,304-000-4,94232-72-1,"Triethoxy[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane","triethoxy[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane",CCO[Si](CCCOC(F)(F)C(F)F)(OCC)OCC,CCO[Si](CCCOC(F)(F)C(F)F)(OCC)OCC,"InChI=1/C11H22F4O4Si/c1-4-17-20(18-5-2,19-6-3)9-7-8-16-11(14,15)10(12)13/h10H,4-9H2,1-3H3",C11H22F4O4Si,,,,,,RPBHMRVPUUGQCM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.506,304-004-6,94232-75-4,"2-(4-bromo-3-hydroxy-2-quinolyl)-N-[3-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]-2,3-dihydro-1,3-dioxo-1H-indene-5-carboxamide","2-(4-bromo-3-hydroxyquinolin-2-yl)-N-(3-{[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy}phenyl)-1,3-dioxoindane-5-carboxamide",CCCCN(CCCC)c1nc(F)nc(Oc2cccc(NC(=O)c3ccc4C(=O)C(C(=O)c4c3)c5nc6ccccc6c(Br)c5O)c2)n1,CCCCN(CCCC)c1nc(F)nc(Oc2cccc(NC(=O)c3ccc4C(=O)C(C(=O)c4c3)c5nc6ccccc6c(Br)c5O)c2)n1,"InChI=1/C36H32BrFN6O5/c1-3-5-16-44(17-6-4-2)35-41-34(38)42-36(43-35)49-22-11-9-10-21(19-22)39-33(48)20-14-15-23-25(18-20)31(46)27(30(23)45)29-32(47)28(37)24-12-7-8-13-26(24)40-29/h7-15,18-19,27,47H,3-6,16-17H2,1-2H3,(H,39,48)",C36H32BrFN6O5,,,,,,PHSBYTVTEQKYCH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.510,304-008-8,94232-80-1,"2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthyl acetate","6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl acetate",CC1CC(OC(=O)C)C=C2CCC(CC12C)C(=C)C,CC1CC(OC(=O)C)C=C2CCC(CC12C)C(=C)C,"InChI=1/C17H26O2/c1-11(2)14-6-7-15-9-16(19-13(4)18)8-12(3)17(15,5)10-14/h9,12,14,16H,1,6-8,10H2,2-5H3",C17H26O2,,,,,,HBDWWOUDCDZJLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.511,304-009-3,94232-81-2,"Methyl 12,15-dihydroxypentadecanoate","methyl 12,15-dihydroxypentadecanoate",COC(=O)CCCCCCCCCCC(O)CCCO,COC(=O)CCCCCCCCCCC(O)CCCO,"InChI=1/C16H32O4/c1-20-16(19)13-9-7-5-3-2-4-6-8-11-15(18)12-10-14-17/h15,17-18H,2-14H2,1H3",C16H32O4,,,,,,HMTRJANEHXPQRG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.500,306-201-2,96619-89-5,Methyl 2-allyloxy-m-anisate,methyl 2-(allyloxy)-3-methoxybenzoate,COC(=O)c1cccc(OC)c1OCC=C,COC(=O)c1cccc(OC)c1OCC=C,"InChI=1/C12H14O4/c1-4-8-16-11-9(12(13)15-3)6-5-7-10(11)14-2/h4-7H,1,8H2,2-3H3",C12H14O4,,,,,,LAEJCXAEDSFVBW-UHFFFAOYSA-N,,,,,,,,,,,
100.096.712,306-435-5,97259-72-8,"4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one","4-dodecyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CCCCCCCCCCCCC1C(=NN(C1=O)c2ccccc2)C,CCCCCCCCCCCCC1C(=NN(C1=O)c2ccccc2)C,"InChI=1/C22H34N2O/c1-3-4-5-6-7-8-9-10-11-15-18-21-19(2)23-24(22(21)25)20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18H2,1-2H3",C22H34N2O,,,,,,YVLZXJFEADROFR-UHFFFAOYSA-N,,,,,,,,,,,
100.096.719,306-442-3,97259-79-5,Dichloro(pentyloxy)titanium,titanium(3+) dichloride pentan-1-olate,CCCCCO[Ti](Cl)Cl,CCCCCO[Ti](Cl)Cl,"InChI=1/C5H11O.2ClH.Ti/c1-2-3-4-5-6;;;/h2-5H2,1H3;2*1H;/q-1;;;+3/p-2/rC5H11Cl2OTi/c1-2-3-4-5-8-9(6)7/h2-5H2,1H3",C5H11Cl2OTi,,,,,,ZUFZCBQCHSPQPC-UHFFFAOYSA-L,,,,,,,,,,,
100.096.721,306-444-4,97259-81-9,"4-oxo-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]isocrotonic acid","4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]-4-oxobut-2-enoic acid",OC(CNC(=O)\\C=C/C(=O)O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(CNC(=O)\C=C/C(=O)O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H10F17NO4/c16-8(17,3-5(34)4-33-6(35)1-2-7(36)37)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-2,5,34H,3-4H2,(H,33,35)(H,36,37)",C15H10F17NO4,,,,,,XNKYZUYJMBXTGL-UPHRSURJSA-N,,,,,,,,,,,
100.096.724,306-448-6,97259-84-2,Decyl 16-methylheptadecanoate,decyl 16-methylheptadecanoate,CCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C,CCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C,"InChI=1/C28H56O2/c1-4-5-6-7-8-17-20-23-26-30-28(29)25-22-19-16-14-12-10-9-11-13-15-18-21-24-27(2)3/h27H,4-26H2,1-3H3",C28H56O2,,,,,,UUHBCYOCNFWRAH-UHFFFAOYSA-N,,,,,,,,,,,
100.096.728,306-452-8,97259-88-6,N-phenyloleamide hydrochloride,N-phenyloctadec-9-enamide hydrochloride,Cl.CCCCCCCC\\C=C/CCCCCCCC(=O)Nc1ccccc1,Cl.CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1,"InChI=1/C24H39NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23;/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26);1H",C24H39NO.ClH,,,,,,SENIITWZZPANOQ-KVVVOXFISA-N,,,,,,,,,,,
100.096.729,306-453-3,97259-89-7,(2-methyllactoyl)sulphamic acid,(2-hydroxy-2-methylpropanoyl)sulfamic acid,CC(C)(O)C(=O)NS(=O)(=O)O,CC(C)(O)C(=O)NS(=O)(=O)O,"InChI=1/C4H9NO5S/c1-4(2,7)3(6)5-11(8,9)10/h7H,1-2H3,(H,5,6)(H,8,9,10)",C4H9NO5S,,,,,,FOQPUOMVBLGTEI-UHFFFAOYSA-N,,,,,,,,,,,
100.094.534,304-035-5,94233-04-2,3-(3-amino-3-oxopropyl)-2-[[4-(diethylamino)phenyl]azo]-6-ethoxybenzothiazolium trichlorozincate,"3-(3-amino-3-oxopropyl)-2-{[4-(diethylamino)phenyl]diazenyl}-6-ethoxy-1,3-benzothiazol-3-ium trichlorozincate(1-)",Cl[Zn-](Cl)Cl.CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OCC,Cl[Zn-](Cl)Cl.CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OCC,"InChI=1/C22H27N5O2S.3ClH.Zn/c1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22;;;;/h7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28);3*1H;/q;;;;+2/p-2/rC22H27N5O2S.Cl3Zn/c1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22;1-4(2)3/h7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28);/q;-1/p+1",C22H28N5O2S.Cl3Zn,,,,,,UFZOGYWUTFUTQC-UHFFFAOYSA-L,,,,,,,,,,,
100.081.239,289-395-0,88172-66-1,Dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl][3-(trimethoxysilyl)propyl]ammonium bromide,"N-[2-(methacryloyloxy)ethyl]-N,N-dimethyl-3-(trimethoxysilyl)propan-1-aminium bromide",[Br-].CO[Si](CCC[N+](C)(C)CCOC(=O)C(=C)C)(OC)OC,[Br-].CO[Si](CCC[N+](C)(C)CCOC(=O)C(=C)C)(OC)OC,"InChI=1/C14H30NO5Si.BrH/c1-13(2)14(16)20-11-10-15(3,4)9-8-12-21(17-5,18-6)19-7;/h1,8-12H2,2-7H3;1H/q+1;/p-1",C14H30NO5Si.Br,,,,,,FXOSMPOAKLIXLU-UHFFFAOYSA-M,,,,,,,,,,,
100.081.241,289-397-1,88245-74-3,"3,5-dimethylhex-3-en-1-yne","3,5-dimethylhex-3-en-1-yne",C#CC(C)=CC(C)C,C#CC(C)=CC(C)C,"InChI=1/C8H12/c1-5-8(4)6-7(2)3/h1,6-7H,2-4H3",C8H12,,,,,,HMVBQEAJQVQOTI-UHFFFAOYSA-N,,,,,,,,,,,
100.084.226,292-682-3,90850-42-3,3-[(2-aminocyclohexyl)methyl]-2-methylcyclohexylamine,3-[(2-aminocyclohexyl)methyl]-2-methylcyclohexanamine,CC1C(N)CCCC1CC2CCCCC2N,CC1C(N)CCCC1CC2CCCCC2N,"InChI=1/C14H28N2/c1-10-11(6-4-8-13(10)15)9-12-5-2-3-7-14(12)16/h10-14H,2-9,15-16H2,1H3",C14H28N2,,,,,,BYUZDRJEUGDRPI-UHFFFAOYSA-N,,,,,,,,,,,
100.084.232,292-689-1,90917-49-0,"Ethyl 4-hydroxy-3,5-diiodophenylacetate","ethyl (4-hydroxy-3,5-diiodophenyl)acetate",CCOC(=O)Cc1cc(I)c(O)c(I)c1,CCOC(=O)Cc1cc(I)c(O)c(I)c1,"InChI=1/C10H10I2O3/c1-2-15-9(13)5-6-3-7(11)10(14)8(12)4-6/h3-4,14H,2,5H2,1H3",C10H10I2O3,,,,,,OICDFUWSAQEXEK-UHFFFAOYSA-N,,,,,,,,,,,
100.084.235,292-692-8,90961-45-8,"3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane","3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane",CCCCN1CC2CN(CCCC)CC(C1)C2(C)C,CCCCN1CC2CN(CCCC)CC(C1)C2(C)C,"InChI=1/C17H34N2/c1-5-7-9-18-11-15-13-19(10-8-6-2)14-16(12-18)17(15,3)4/h15-16H,5-14H2,1-4H3",C17H34N2,,,,,,MUQFLLKQSNNHIW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.252,287-208-7,85423-05-8,2-[(4-aminophenyl)methyl]-4-[[4-(ethylamino)phenyl]methyl]aniline,2-(4-aminobenzyl)-4-[4-(ethylamino)benzyl]aniline,CCNc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1,CCNc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1,"InChI=1/C22H25N3/c1-2-25-21-10-5-16(6-11-21)13-18-7-12-22(24)19(15-18)14-17-3-8-20(23)9-4-17/h3-12,15,25H,2,13-14,23-24H2,1H3",C22H25N3,,,,,,OXSAFLAVIWLHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.258,287-215-5,85423-11-6,"2,6-bis[2-isocyanato-3-[(2-isocyanatophenyl)methyl]benzyl]phenyl isocyanate","1,1'-[(2-isocyanato-1,3-phenylene)bis(methylene)]bis[2-isocyanato-3-(2-isocyanatobenzyl)benzene]",O=C=N\\c5ccccc5Cc4cccc(Cc3cccc(Cc2cccc(Cc1ccccc1/N=C=O)c2\\N=C=O)c3\\N=C=O)c4/N=C=O,O=C=N\c5ccccc5Cc4cccc(Cc3cccc(Cc2cccc(Cc1ccccc1/N=C=O)c2\N=C=O)c3\N=C=O)c4/N=C=O,"InChI=1/C39H25N5O5/c45-22-40-35-16-3-1-8-27(35)18-29-10-5-12-31(37(29)42-24-47)20-33-14-7-15-34(39(33)44-26-49)21-32-13-6-11-30(38(32)43-25-48)19-28-9-2-4-17-36(28)41-23-46/h1-17H,18-21H2",C39H25N5O5,,,,,,AHXPEHBCIOCGOK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.472,287-449-8,85508-24-3,"1-(2-hydroxy-1,1-dimethylethyl)butyl isobutyrate","1-(2-hydroxy-1,1-dimethylethyl)butyl 2-methylpropanoate",CCCC(OC(=O)C(C)C)C(C)(C)CO,CCCC(OC(=O)C(C)C)C(C)(C)CO,"InChI=1/C12H24O3/c1-6-7-10(12(4,5)8-13)15-11(14)9(2)3/h9-10,13H,6-8H2,1-5H3",C12H24O3,,,,,,FFNFFJIEBFOUED-UHFFFAOYSA-N,,,,,,,,,,,
100.079.474,287-451-9,85508-26-5,2-butylheptan-1-ol,2-butylheptan-1-ol,CCCCCC(CO)CCCC,CCCCCC(CO)CCCC,"InChI=1/C11H24O/c1-3-5-7-9-11(10-12)8-6-4-2/h11-12H,3-10H2,1-2H3",C11H24O,,,,,,PPVGIYDGIOTKTB-UHFFFAOYSA-N,,,,,,,,,,,
100.079.476,287-454-5,85508-28-7,N-[2-[(2-hydroxyethyl)amino]ethyl]-N-stearoylstearamide,N-{2-[(2-hydroxyethyl)amino]ethyl}-N-stearoyloctadecanamide,CCCCCCCCCCCCCCCCCC(=O)N(CCNCCO)C(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)N(CCNCCO)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42(37-35-41-36-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,43H,3-38H2,1-2H3",C40H80N2O3,,,,,,BDVRPSDVVFAIJU-UHFFFAOYSA-N,,,,,,,,,,,
100.079.495,287-474-4,85532-99-6,"3-amino-N,N-dimethyl-4-[(2-nitrophenyl)thio]benzenesulphonamide","3-amino-N,N-dimethyl-4-[(2-nitrophenyl)sulfanyl]benzenesulfonamide",CN(C)S(=O)(=O)c1ccc(Sc2ccccc2[N+](=O)[O-])c(N)c1,CN(C)S(=O)(=O)c1ccc(Sc2ccccc2[N+](=O)[O-])c(N)c1,"InChI=1/C14H15N3O4S2/c1-16(2)23(20,21)10-7-8-13(11(15)9-10)22-14-6-4-3-5-12(14)17(18)19/h3-9H,15H2,1-2H3",C14H15N3O4S2,,,,,,RPLFTSQDXKCPHC-UHFFFAOYSA-N,,,,,,,,,,,
100.081.249,289-405-3,88349-61-5,4-ethoxy-3-(4-pyridyl)-3-buten-2-one,4-ethoxy-3-pyridin-4-ylbut-3-en-2-one,CC(=O)C(=COCC)c1ccncc1,CC(=O)C(=COCC)c1ccncc1,"InChI=1/C11H13NO2/c1-3-14-8-11(9(2)13)10-4-6-12-7-5-10/h4-8H,3H2,1-2H3",C11H13NO2,,,,,,IATKKGJZTHMRBF-UHFFFAOYSA-N,,,,,,,,,,,
100.079.285,287-244-3,85443-52-3,Ethyl 4-[(2-nitrophenyl)amino]piperidine-1-carboxylate,ethyl 4-[(2-nitrophenyl)amino]piperidine-1-carboxylate,CCOC(=O)N1CCC(CC1)Nc2ccccc2[N+](=O)[O-],CCOC(=O)N1CCC(CC1)Nc2ccccc2[N+](=O)[O-],"InChI=1/C14H19N3O4/c1-2-21-14(18)16-9-7-11(8-10-16)15-12-5-3-4-6-13(12)17(19)20/h3-6,11,15H,2,7-10H2,1H3",C14H19N3O4,,,,,,PGPHYMZSYHYGEF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.057,289-194-8,86115-11-9,"3,4,5,6,6-pentamethylhept-3-en-2-one","3,4,5,6,6-pentamethylhept-3-en-2-one",CC(=C(C)C(C)C(C)(C)C)C(C)=O,CC(=C(C)C(C)C(C)(C)C)C(C)=O,"InChI=1/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3",C12H22O,,,,,,IXIYWQIFBRZMNR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.006,302-353-9,94108-15-3,2-chloro-N-methyl-6-nitrobenzylamine,1-(2-chloro-6-nitrophenyl)-N-methylmethanamine,CNCc1c(Cl)cccc1[N+](=O)[O-],CNCc1c(Cl)cccc1[N+](=O)[O-],"InChI=1/C8H9ClN2O2/c1-10-5-6-7(9)3-2-4-8(6)11(12)13/h2-4,10H,5H2,1H3",C8H9ClN2O2,,,,,,KLVFNRYOUGSYDE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.013,302-361-2,94108-22-2,"Ethyl 4-[[4-[[2-(allyloxy)ethoxy]carbonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate","ethyl 4-[(4-{[2-(allyloxy)ethoxy]carbonyl}phenyl)diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",C=CCOCCOC(=O)c1ccc(cc1)N=NC3\\C(=N/N(c2ccccc2)C3=O)C(=O)OCC,C=CCOCCOC(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccccc2)C3=O)C(=O)OCC,"InChI=1/C24H24N4O6/c1-3-14-32-15-16-34-23(30)17-10-12-18(13-11-17)25-26-20-21(24(31)33-4-2)27-28(22(20)29)19-8-6-5-7-9-19/h3,5-13,20H,1,4,14-16H2,2H3",C24H24N4O6,,,,,,GQFXCJOAOSYUCK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.014,302-362-8,94108-23-3,"2-phenoxyethyl N-[4-[(3,5-dinitro-2-thienyl)azo]-3-methylphenyl]-N-ethyl-ß-alaninate","2-phenoxyethyl N-{4-[(3,5-dinitro-2-thienyl)diazenyl]-3-methylphenyl}-N-ethyl-beta-alaninate",CCN(CCC(=O)OCCOc1ccccc1)c3ccc(N=Nc2sc(cc2[N+]([O-])=O)[N+]([O-])=O)c(C)c3,CCN(CCC(=O)OCCOc1ccccc1)c3ccc(N=Nc2sc(cc2[N+]([O-])=O)[N+]([O-])=O)c(C)c3,"InChI=1/C24H25N5O7S/c1-3-27(12-11-23(30)36-14-13-35-19-7-5-4-6-8-19)18-9-10-20(17(2)15-18)25-26-24-21(28(31)32)16-22(37-24)29(33)34/h4-10,15-16H,3,11-14H2,1-2H3",C24H25N5O7S,,,,,,FQGKQTRMFPRMQB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.019,302-368-0,94108-28-8,2-(2-hydroxypropoxy)-1-methylethyl oleate,2-(2-hydroxypropoxy)-1-methylethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)COCC(C)O,CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)COCC(C)O,"InChI=1/C24H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)28-23(3)21-27-20-22(2)25/h11-12,22-23,25H,4-10,13-21H2,1-3H3",C24H46O4,,,,,,VFLBRNWWDSNYFZ-QXMHVHEDSA-N,,,,,,,,,,,
100.093.024,302-373-8,94108-34-6,1-ethyl-3-methylbutyl isobutyrate,1-ethyl-3-methylbutyl 2-methylpropanoate,CCC(CC(C)C)OC(=O)C(C)C,CCC(CC(C)C)OC(=O)C(C)C,"InChI=1/C11H22O2/c1-6-10(7-8(2)3)13-11(12)9(4)5/h8-10H,6-7H2,1-5H3",C11H22O2,,,,,,OZEZRQVRKNAKRH-UHFFFAOYSA-N,,,,,,,,,,,
100.089.130,298-090-1,93777-58-3,"2-[1-phenyl-2-(2,4,5-trimethoxyphenyl)vinyl]-2-oxazoline-4,4-dimethanol hydrochloride","{2-[1-phenyl-2-(2,4,5-trimethoxyphenyl)vinyl]-4,5-dihydro-1,3-oxazole-4,4-diyl}dimethanol hydrochloride",Cl.COc1cc(OC)c(\\C=C(/C2=NC(CO)(CO)CO2)\\c3ccccc3)cc1OC,Cl.COc1cc(OC)c(\C=C(/C2=NC(CO)(CO)CO2)\c3ccccc3)cc1OC,"InChI=1/C22H25NO6.ClH/c1-26-18-11-20(28-3)19(27-2)10-16(18)9-17(15-7-5-4-6-8-15)21-23-22(12-24,13-25)14-29-21;/h4-11,24-25H,12-14H2,1-3H3;1H",C22H25NO6.ClH,,,,,,JWFYNHPJLQDORK-WPTDRQDKSA-N,,,,,,,,,,,
100.089.135,298-095-9,93777-63-0,Tri(methyl)[a-methyl-10H-phenothiazin-10-ylethyl]ammonium salicylate,"N,N,N-trimethyl-1-(1-methyl-10H-phenothiazin-10-yl)ethanaminium salicylate",CC(N1c2ccccc2Sc3cccc(C)c13)[N+](C)(C)C.Oc4ccccc4C(=O)[O-],CC(N1c2ccccc2Sc3cccc(C)c13)[N+](C)(C)C.Oc4ccccc4C(=O)[O-],"InChI=1/C18H23N2S.C7H6O3/c1-13-9-8-12-17-18(13)19(14(2)20(3,4)5)15-10-6-7-11-16(15)21-17;8-6-4-2-1-3-5(6)7(9)10/h6-12,14H,1-5H3;1-4,8H,(H,9,10)/q+1;/p-1",C18H23N2S.C7H5O3,,,,,,FGUWOHYABCCKOD-UHFFFAOYSA-M,,,,,,,,,,,
100.089.366,298-349-9,93803-76-0,"5-oxo-L-proline, compound with 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)","5-oxo-L-proline - 8-benzyl-7-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1)",CCN(CCO)CCn1c(Cc2ccccc2)nc3N(C)C(=O)N(C)C(=O)c13.OC(=O)[C@@H]4CCC(=O)N4,CCN(CCO)CCn1c(Cc2ccccc2)nc3N(C)C(=O)N(C)C(=O)c13.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C20H27N5O3.C5H7NO3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;7-4-2-1-3(6-4)5(8)9/h5-9,26H,4,10-14H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C20H27N5O3.C5H7NO3,,,,,,RCLMQSPBNUYHNP-HVDRVSQOSA-N,,,,,,,,,,,
100.089.367,298-350-4,93803-77-1,"5-oxo-L-proline, compound with (4aS-cis)-2,3,4,4a,9,9a-hexahydro-2,4a,9-trimethyl-1,2-oxazino[6,5-b]indol-6-yl methylcarbamate (1:1)","5-oxo-L-proline - 2,4a,9-trimethyl-2,3,4,4a,9,9a-hexahydro[1,2]oxazino[6,5-b]indol-6-yl methylcarbamate (1:1)",CNC(=O)Oc1ccc2N(C)[C@H]3ON(C)CC[C@@]3(C)c2c1.OC(=O)[C@@H]4CCC(=O)N4,CNC(=O)Oc1ccc2N(C)[C@H]3ON(C)CC[C@@]3(C)c2c1.OC(=O)[C@@H]4CCC(=O)N4,"InChI=1/C15H21N3O3.C5H7NO3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;7-4-2-1-3(6-4)5(8)9/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);3H,1-2H2,(H,6,7)(H,8,9)",C15H21N3O3.C5H7NO3,,,,,,ZYYCAFWKMRIETC-IULHSVLKSA-N,,,,,,,,,,,
100.091.002,300-148-9,93923-60-5,"5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium hydroxide","5-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium hydroxide",[OH-].CN2/C=N\\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC,[OH-].CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC,"InChI=1/C14H22N6.H2O/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;/h7-11,14H,5-6H2,1-4H3;1H2",C14H21N6.HO,,,,,,SYJVQYBJGSYISA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.003,300-149-4,93923-61-6,"[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydroxide","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydroxide",[OH-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35,[OH-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35,"InChI=1/C33H31N3.H2O/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H2",C33H32N3.HO,,,,,,ZHHLXZAUKUYGMO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.622,304-131-7,94237-35-1,"9ß,11ß-epoxy-17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)","16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C,"InChI=1/C26H32O7/c1-14-10-20-19-7-6-17-11-18(29)8-9-23(17,4)26(19)22(33-26)12-24(20,5)25(14,32-16(3)28)21(30)13-31-15(2)27/h8-9,11,14,19-20,22H,6-7,10,12-13H2,1-5H3",C26H32O7,,,,,,WEQDHZQBKWZVKB-SQOVUSLMSA-N,,,,,,,,,,,
100.096.604,306-315-2,96954-01-7,Disodium 4-(2-ethylhexyl) 2-sulphonatosuccinate,disodium 4-[(2-ethylhexyl)oxy]-4-oxo-2-sulfonatobutanoate,[Na+].[Na+].CCCCC(CC)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCC(CC)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C12H22O7S.2Na/c1-3-5-6-9(4-2)8-19-11(13)7-10(12(14)15)20(16,17)18;;/h9-10H,3-8H2,1-2H3,(H,14,15)(H,16,17,18);;/q;2*+1/p-2",C12H22O7S.2Na,,,,,,KMXXRPGQXIGGPO-UHFFFAOYSA-L,,,,,,,,,,,
100.096.605,306-316-8,97043-67-9,2-[[4-(benzylethylamino)-m-tolyl]azo]-benzothiazole-5-sulphonic acid,"2-({4-[benzyl(ethyl)amino]-3-methylphenyl}diazenyl)-1,3-benzothiazole-5-sulfonic acid",OS(=O)(=O)c3cc4nc(N=Nc1cc(C)c(cc1)N(Cc2ccccc2)CC)sc4cc3,OS(=O)(=O)c3cc4nc(N=Nc1cc(C)c(cc1)N(Cc2ccccc2)CC)sc4cc3,"InChI=1/C23H22N4O3S2/c1-3-27(15-17-7-5-4-6-8-17)21-11-9-18(13-16(21)2)25-26-23-24-20-14-19(32(28,29)30)10-12-22(20)31-23/h4-14H,3,15H2,1-2H3,(H,28,29,30)",C23H22N4O3S2,,,,,,UPLZSUKVPFFJMY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.608,306-319-4,97043-70-4,"2-[(1,1-dimethylethyl)[2-hydroxy-3-(tetradecyloxy)propyl]amino]ethyl methacrylate hydrochloride",2-{tert-butyl[2-hydroxy-3-(tetradecyloxy)propyl]amino}ethyl 2-methylacrylate hydrochloride,Cl.CCCCCCCCCCCCCCOCC(O)CN(CCOC(=O)C(=C)C)C(C)(C)C,Cl.CCCCCCCCCCCCCCOCC(O)CN(CCOC(=O)C(=C)C)C(C)(C)C,"InChI=1/C27H53NO4.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-31-23-25(29)22-28(27(4,5)6)19-21-32-26(30)24(2)3;/h25,29H,2,7-23H2,1,3-6H3;1H",C27H53NO4.ClH,,,,,,SUILGOSEMVRNBG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.609,306-321-5,97043-71-5,"Pentasodium 2-[[1-hydroxy-3,6-disulphonato-8-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]benzoyl]amino]-2-naphthyl]azo]naphthalene-1,5-disulphonate","pentasodium 2-({1-hydroxy-3,6-disulfonato-8-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}benzoyl)amino]-2-naphthyl}diazenyl)naphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)C(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)C(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C29H23N3O20S6.5Na/c33-27-25-16(12-18(54(37,38)39)14-22(25)30-29(34)15-3-1-4-17(11-15)53(35,36)10-9-52-58(49,50)51)13-24(56(43,44)45)26(27)32-31-21-8-7-19-20(28(21)57(46,47)48)5-2-6-23(19)55(40,41)42;;;;;/h1-8,11-14,33H,9-10H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;/q;5*+1/p-5",C29H23N3O20S6.5Na,,,,,,OWALVSYTHHUECO-UHFFFAOYSA-I,,,,,,,,,,,
100.098.161,308-028-8,97811-33-1,Ammonium (nonylphenyl) sulphate,ammonium 2-nonylphenyl sulfate,[NH4+].CCCCCCCCCc1ccccc1OS(=O)(=O)[O-],[NH4+].CCCCCCCCCc1ccccc1OS(=O)(=O)[O-],"InChI=1/C15H24O4S.H3N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18;/h9-10,12-13H,2-8,11H2,1H3,(H,16,17,18);1H3",C15H24O4S.H3N,,,,,,LEJIXFIONXEKDB-UHFFFAOYSA-N,,,,,,,,,,,
100.098.163,308-030-9,97861-83-1,"3-chloro-4-[[4-[[2-(dimethylamino)ethyl]ethylamino]phenyl]azo]-N,N,N-trimethylanilinium sulphate (1:2)",-,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1/C21H31ClN5.2H2O4S/c1-7-26(15-14-25(2)3)18-10-8-17(9-11-18)23-24-21-13-12-19(16-20(21)22)27(4,5)6;2*1-5(2,3)4/h8-13,16H,7,14-15H2,1-6H3;2*(H2,1,2,3,4)/q+1;;/p-4",C21H31ClN5.1/2O4S,,,,,,MNFOQUKJQCQGCE-UHFFFAOYSA-J,,,,,,,,,,,
100.100.026,310-104-0,102397-69-3,1-O-(dihydroxymethylsilyl)-ß-D-mannopyranuronic acid,1-O-[dihydroxy(methyl)silyl]-beta-D-mannopyranuronic acid,C[Si](O)(O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)O,C[Si](O)(O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)O,"InChI=1/C7H14O9Si/c1-17(13,14)16-7-4(10)2(8)3(9)5(15-7)6(11)12/h2-5,7-10,13-14H,1H3,(H,11,12)",C7H14O9Si,,,,,,WMGVTFWUDZXSKP-QBCMYANTSA-N,,,,,,,,,,,
100.094.709,304-226-3,94247-57-1,4-(4-methylcyclohexyl) hydrogen 2-octadecenylsuccinate,2-{2-[(4-methylcyclohexyl)oxy]-2-oxoethyl}icos-4-enoate,O=C(OC1CCC(C)CC1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,O=C(OC1CCC(C)CC1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29(31)32)24-28(30)33-27-22-20-25(2)21-23-27/h17-18,25-27H,3-16,19-24H2,1-2H3,(H,31,32)/p-1",C29H52O4,,,,,,CZPKNAHWABNAFE-UHFFFAOYSA-M,,,,,,,,,,,
100.098.175,308-044-5,97862-02-7,"N,N',N''-tris(methoxymethyl)-N,N',N''-tris[(octadec-9-en-1-yloxy)methyl]-1,3,5-triazine-2,4,6-triamine","N,N',N''-tris(methoxymethyl)-N,N',N''-tris[(octadec-9-en-1-yloxy)methyl]-1,3,5-triazine-2,4,6-triamine",COCN(COCCCCCCCCC=CCCCCCCCC)c1nc(nc(n1)N(COCCCCCCCCC=CCCCCCCCC)COC)N(COC)COCCCCCCCCC=CCCCCCCCC,COCN(COCCCCCCCCC=CCCCCCCCC)c1nc(nc(n1)N(COCCCCCCCCC=CCCCCCCCC)COC)N(COC)COCCCCCCCCC=CCCCCCCCC,"InChI=1/C66H126N6O6/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-76-61-70(58-73-4)64-67-65(71(59-74-5)62-77-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)69-66(68-64)72(60-75-6)63-78-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h28-33H,7-27,34-63H2,1-6H3",C66H126N6O6,,,,,,HHVLCBVQJXXEFY-UHFFFAOYSA-N,,,,,,,,,,,
100.098.291,308-172-1,97889-93-5,p-(1-methyl-1-phenylethyl)phenyl hydrogen carbonate,4-(1-methyl-1-phenylethyl)phenyl hydrogen carbonate,CC(C)(c1ccccc1)c2ccc(OC(=O)O)cc2,CC(C)(c1ccccc1)c2ccc(OC(=O)O)cc2,"InChI=1/C16H16O3/c1-16(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19-15(17)18/h3-11H,1-2H3,(H,17,18)",C16H16O3,,,,,,UGKSTGOPBDJAGS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.562,304-065-9,94233-33-7,"(8a,9R)-6'-methoxycinchonan-9-ol bis[tetraiodobismuthate(1-)]","(8alpha,9R)-6'-methoxycinchonan-9-ol bis[tetraiodobismuthate(1-)]",COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.I[Bi-](I)(I)I.I[Bi-](I)(I)I,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.I[Bi-](I)(I)I.I[Bi-](I)(I)I,"InChI=1/2C20H24N2O2.2Bi.8HI/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;;;;;;;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;;;8*1H/q;;2*+5;;;;;;;;/p-8/r2C20H24N2O2.2BiI4/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*2-1(3,4)5/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;;/q;;2*+1",C20H24N2O2.2BiI4.2H,,,,,,BXZKZMXYVOHCRH-RXYMRLARSA-F,,,,,,,,,,,
100.094.570,304-074-8,94236-78-9,Docosyl hydrogen azelate,9-(docosyloxy)-9-oxononanoic acid,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O,"InChI=1/C31H60O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-35-31(34)28-25-22-20-21-24-27-30(32)33/h2-29H2,1H3,(H,32,33)",C31H60O4,,,,,,CNIVJDHCHFZRFX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.578,304-083-7,94236-86-9,"3-[(2,4-diaminophenyl)azo]-5-sulphosalicylic acid","3-[(2,4-diaminophenyl)diazenyl]-2-hydroxy-5-sulfobenzoic acid",Oc2c(cc(cc2N=Nc1ccc(N)cc1N)S(O)(=O)=O)C(O)=O,Oc2c(cc(cc2N=Nc1ccc(N)cc1N)S(O)(=O)=O)C(O)=O,"InChI=1/C13H12N4O6S/c14-6-1-2-10(9(15)3-6)16-17-11-5-7(24(21,22)23)4-8(12(11)18)13(19)20/h1-5,18H,14-15H2,(H,19,20)(H,21,22,23)",C13H12N4O6S,,,,,,NIBIQWLKEOSZCH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.582,304-087-9,94236-90-5,"1,2,3-propanetriyl tris(3-oxodecanoate)","propane-1,2,3-triyl tris(3-oxodecanoate)",CCCCCCCC(=O)CC(=O)OCC(COC(=O)CC(=O)CCCCCCC)OC(=O)CC(=O)CCCCCCC,CCCCCCCC(=O)CC(=O)OCC(COC(=O)CC(=O)CCCCCCC)OC(=O)CC(=O)CCCCCCC,"InChI=1/C33H56O9/c1-4-7-10-13-16-19-27(34)22-31(37)40-25-30(42-33(39)24-29(36)21-18-15-12-9-6-3)26-41-32(38)23-28(35)20-17-14-11-8-5-2/h30H,4-26H2,1-3H3",C33H56O9,,,,,,JMGZJVGBEHSEEW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.584,304-090-5,94236-92-7,"Octanoic acid, compound with 2-(2-aminoethoxy)ethanol (1:1)",octanoic acid - 2-(2-aminoethoxy)ethanol (1:1),CCCCCCCC(=O)O.NCCOCCO,CCCCCCCC(=O)O.NCCOCCO,"InChI=1/C8H16O2.C4H11NO2/c1-2-3-4-5-6-7-8(9)10;5-1-3-7-4-2-6/h2-7H2,1H3,(H,9,10);6H,1-5H2",C8H16O2.C4H11NO2,,,,,,GKTZMWWEFJPPBF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.585,304-091-0,94236-93-8,"Octanoic acid, compound with 4-ethylmorpholine (1:1)",octanoic acid - 4-ethylmorpholine (1:1),CCCCCCCC(=O)O.CCN1CCOCC1,CCCCCCCC(=O)O.CCN1CCOCC1,"InChI=1/C8H16O2.C6H13NO/c1-2-3-4-5-6-7-8(9)10;1-2-7-3-5-8-6-4-7/h2-7H2,1H3,(H,9,10);2-6H2,1H3",C8H16O2.C6H13NO,,,,,,CBSDSJKIMFQXJZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.591,304-097-3,94236-99-4,"1-icosyl hydrogen 2-sulphosuccinate, compound with 2,2'-iminobis[ethanol] (1:2)","4-(icosyloxy)-4-oxo-3-sulfobutanoic acid - 2,2'-iminodiethanol (1:2)",CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO,CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO,"InChI=1/C24H46O7S.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;2*6-3-1-5-2-4-7/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*5-7H,1-4H2",C24H46O7S.2C4H11NO2,,,,,,IJVOUDATIUOHIH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.592,304-098-9,94237-00-0,"1-icosyl hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)","4-(icosyloxy)-4-oxo-3-sulfobutanoic acid - 2,2',2''-nitrilotriethanol (1:2)",CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,"InChI=1/C24H46O7S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;2*8-4-1-7(2-5-9)3-6-10/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*8-10H,1-6H2",C24H46O7S.2C6H15NO3,,,,,,FAGRQFNSINQHPS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.593,304-099-4,94237-01-1,"Azelaic acid, compound with 1,1',1''-nitrilotri(propan-2-ol)","nonanedioic acid - 1,1',1''-nitrilotripropan-2-ol (1:1)",CC(O)CN(CC(C)O)CC(C)O.OC(=O)CCCCCCCC(=O)O,CC(O)CN(CC(C)O)CC(C)O.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H21NO3.C9H16O4/c1-7(11)4-10(5-8(2)12)6-9(3)13;10-8(11)6-4-2-1-3-5-7-9(12)13/h7-9,11-13H,4-6H2,1-3H3;1-7H2,(H,10,11)(H,12,13)",C9H21NO3.xC9H16O4,,,,,,OOSCQGZZSHJQQW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.596,304-102-9,94237-04-4,"Cinnamic acid, compound with 2,2'-iminodiethanol (1:1)","3-phenylacrylic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)\\C=C\\c1ccccc1,OCCNCCO.OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.C4H11NO2/c10-9(11)7-6-8-4-2-1-3-5-8;6-3-1-5-2-4-7/h1-7H,(H,10,11);5-7H,1-4H2",C9H8O2.C4H11NO2,,,,,,YXULWCZPIGMWJT-UHDJGPCESA-N,,,,,,,,,,,
100.094.597,304-103-4,94237-05-5,"Cinnamic acid, compound with 2-aminoethanol (1:1)",3-phenylacrylic acid - 2-aminoethanol (1:1),NCCO.OC(=O)\\C=C\\c1ccccc1,NCCO.OC(=O)\C=C\c1ccccc1,"InChI=1/C9H8O2.C2H7NO/c10-9(11)7-6-8-4-2-1-3-5-8;3-1-2-4/h1-7H,(H,10,11);4H,1-3H2",C9H8O2.C2H7NO,,,,,,MIIDDSWFPPECBY-UHDJGPCESA-N,,,,,,,,,,,
100.079.309,287-271-0,85455-36-3,2-[[[3-[[8-acetamido-2-hydroxy-1-naphthyl]azo]-4-hydroxyphenyl]sulphonyl]amino]benzoic acid,2-[({3-[(8-acetamido-2-hydroxy-1-naphthyl)diazenyl]-4-hydroxyphenyl}sulfonyl)amino]benzoic acid,Oc3ccc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)S(=O)(=O)Nc4ccccc4C(O)=O,Oc3ccc(cc3N=Nc1c2c(NC(C)=O)cccc2ccc1O)S(=O)(=O)Nc4ccccc4C(O)=O,"InChI=1/C25H20N4O7S/c1-14(30)26-19-8-4-5-15-9-11-22(32)24(23(15)19)28-27-20-13-16(10-12-21(20)31)37(35,36)29-18-7-3-2-6-17(18)25(33)34/h2-13,29,31-32H,1H3,(H,26,30)(H,33,34)",C25H20N4O7S,,,,,,LAWYXMMFNQZIAH-UHFFFAOYSA-N,,,,,,,,,,,
100.079.318,287-281-5,85455-45-4,2-[[4-[[2-acetamido-4-(diethylamino)phenyl]azo]-5-methoxy-2-methylphenyl]sulphonyl]ethyl propionate,2-[(4-{[2-acetamido-4-(diethylamino)phenyl]diazenyl}-5-methoxy-2-methylphenyl)sulfonyl]ethyl propionate,COc2cc(c(C)cc2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)S(=O)(=O)CCOC(=O)CC,COc2cc(c(C)cc2N=Nc1ccc(cc1NC(C)=O)N(CC)CC)S(=O)(=O)CCOC(=O)CC,"InChI=1/C25H34N4O6S/c1-7-25(31)35-12-13-36(32,33)24-16-23(34-6)22(14-17(24)4)28-27-20-11-10-19(29(8-2)9-3)15-21(20)26-18(5)30/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,26,30)",C25H34N4O6S,,,,,,QNHFJOWAGUXXFU-UHFFFAOYSA-N,,,,,,,,,,,
100.079.319,287-282-0,85455-46-5,Disodium 4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]naphthalenesulphonate,disodium 4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S([O-])(=O)=O)c4ccccc45,[Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S([O-])(=O)=O)c4ccccc45,"InChI=1/C26H19N3O7S2.2Na/c30-26-19-11-10-18(27-17-6-2-1-3-7-17)14-16(19)15-24(38(34,35)36)25(26)29-28-22-12-13-23(37(31,32)33)21-9-5-4-8-20(21)22;;/h1-15,27,30H,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C26H19N3O7S2.2Na,,,,,,JYYIOFINPOMYMS-UHFFFAOYSA-L,,,,,,,,,,,
100.079.327,287-290-4,85455-55-6,"Bis[2-[2-[4-[(2-ethoxyethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium] tetrachlorozincate","bis[2-(2-{4-[(2-ethoxyethyl)(ethyl)amino]-2-methylphenyl}vinyl)-1,3,3-trimethyl-3H-indolium] tetrachlorozincate(2-)",CCOCCN(CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.CCOCCN(CC)c4ccc(\\C=C\\C5=[N+](C)c6ccccc6C5(C)C)c(C)c4.Cl[Zn-2](Cl)(Cl)Cl,CCOCCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.CCOCCN(CC)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)c(C)c4.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C26H35N2O.4ClH.Zn/c2*1-7-28(17-18-29-8-2)22-15-13-21(20(3)19-22)14-16-25-26(4,5)23-11-9-10-12-24(23)27(25)6;;;;;/h2*9-16,19H,7-8,17-18H2,1-6H3;4*1H;/q2*+1;;;;;+2/p-4/r2C26H35N2O.Cl4Zn/c2*1-7-28(17-18-29-8-2)22-15-13-21(20(3)19-22)14-16-25-26(4,5)23-11-9-10-12-24(23)27(25)6;1-5(2,3)4/h2*9-16,19H,7-8,17-18H2,1-6H3;/q2*+1;-2",C26H35N2O.1/2Cl4Zn,,,,,,PNKCALRXYHCYSH-UHFFFAOYSA-J,,,,,,,,,,,
100.079.340,287-304-9,85455-70-5,Allyl 3-(acetoxy)but-2-enoate,allyl 3-acetoxybut-2-enoate,C=CCOC(=O)C=C(C)OC(C)=O,C=CCOC(=O)C=C(C)OC(C)=O,"InChI=1/C9H12O4/c1-4-5-12-9(11)6-7(2)13-8(3)10/h4,6H,1,5H2,2-3H3",C9H12O4,,,,,,PGVZCPVTJJYDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.077.879,285-697-1,85124-16-9,"5-chloro-1H-indole-2,3-dione 3-oxime","5-chloro-1H-indole-2,3-dione 3-oxime",Clc1cc2c(cc1)NC(=O)C2=NO,Clc1cc2c(cc1)NC(=O)C2=NO,"InChI=1/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(11-13)8(12)10-6/h1-3,13H,(H,10,11,12)",C8H5ClN2O2,,,,,,ILCHDUWPANLREO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.887,285-705-3,85135-84-8,(9S)-9-hydroxy-6'-methoxycinchonanium lactate,6'-methoxycinchonan-1-ium-9-ol 2-hydroxypropanoate,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.CC(O)C(=O)[O-],COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.CC(O)C(=O)[O-],"InChI=1/C20H24N2O2.C3H6O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2(4)3(5)6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2,4H,1H3,(H,5,6)",C20H24N2O2.C3H6O3,,,,,,ZIDGEHZBXVXPFQ-VJAUXQICSA-N,,,,,,,,,,,
100.077.898,285-717-9,85135-96-2,"Sodium 2-[3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]benzoate","sodium 2-(3-{[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-hydroxybenzoyl)benzoate",[Na+].[O-]C(=O)c1ccccc1C(=O)c4cc(N=NC3C(\\C)=N/N(c2ccc(Cl)cc2)C3=O)c(O)cc4,[Na+].[O-]C(=O)c1ccccc1C(=O)c4cc(N=NC3C(\C)=N/N(c2ccc(Cl)cc2)C3=O)c(O)cc4,"InChI=1/C24H17ClN4O5.Na/c1-13-21(23(32)29(28-13)16-9-7-15(25)8-10-16)27-26-19-12-14(6-11-20(19)30)22(31)17-4-2-3-5-18(17)24(33)34;/h2-12,21,30H,1H3,(H,33,34);/q;+1/p-1",C24H17ClN4O5.Na,,,,,,ILZBFTIKEGUGFA-UHFFFAOYSA-M,,,,,,,,,,,
100.077.899,285-718-4,85135-97-3,"Sodium 2-[3-[[4,5-dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]benzoate","sodium 2-{4-hydroxy-3-[(5-oxo-1,3-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoyl}benzoate",[Na+].[O-]C(=O)c1ccccc1C(=O)c5cc(N=NC3\\C(=N/N(c2ccccc2)C3=O)c4ccccc4)c(O)cc5,[Na+].[O-]C(=O)c1ccccc1C(=O)c5cc(N=NC3\C(=N/N(c2ccccc2)C3=O)c4ccccc4)c(O)cc5,"InChI=1/C29H20N4O5.Na/c34-24-16-15-19(27(35)21-13-7-8-14-22(21)29(37)38)17-23(24)30-31-26-25(18-9-3-1-4-10-18)32-33(28(26)36)20-11-5-2-6-12-20;/h1-17,26,34H,(H,37,38);/q;+1/p-1",C29H20N4O5.Na,,,,,,OBPXHPBPMVNHLV-UHFFFAOYSA-M,,,,,,,,,,,
100.091.010,300-157-8,93923-69-4,"2'-[(benzyl)amino]-6'-(dibutylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-(benzylamino)-6'-(dibutylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCN(CCCC)c1ccc2c(Oc3ccc(NCc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,CCCCN(CCCC)c1ccc2c(Oc3ccc(NCc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C35H36N2O3/c1-3-5-20-37(21-6-4-2)27-17-18-30-33(23-27)39-32-19-16-26(36-24-25-12-8-7-9-13-25)22-31(32)35(30)29-15-11-10-14-28(29)34(38)40-35/h7-19,22-23,36H,3-6,20-21,24H2,1-2H3",C35H36N2O3,,,,,,SYHCRVWICOGSFH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.013,300-160-4,93923-72-9,"23-(4-nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosyl hydrogen sulphate","23-(4-nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricos-1-yl hydrogen sulfate",CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O)cc1,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O)cc1,"InChI=1/C31H56O12S/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)42-28-26-40-24-22-38-20-18-36-16-14-35-15-17-37-19-21-39-23-25-41-27-29-43-44(32,33)34/h10-13H,2-9,14-29H2,1H3,(H,32,33,34)",C31H56O12S,,,,,,AJMIMOSFEVIRIA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.025,300-174-0,93923-84-3,Ethyl L-histidinate dihydrochloride,ethyl L-histidinate dihydrochloride,Cl.Cl.CCOC(=O)[C@@H](N)Cc1c[nH]cn1,Cl.Cl.CCOC(=O)[C@@H](N)Cc1c[nH]cn1,"InChI=1/C8H13N3O2.2ClH/c1-2-13-8(12)7(9)3-6-4-10-5-11-6;;/h4-5,7H,2-3,9H2,1H3,(H,10,11);2*1H",C8H13N3O2.2ClH,,,,,,XAWDMXNJDWMHCN-KLXURFKVSA-N,,,,,,,,,,,
100.093.033,302-383-2,94108-43-7,Methyl (Z)-1-(octadec-9-enyl)-5-oxopyrrolidine-3-carboxylate,methyl 1-octadec-9-en-1-yl-5-oxopyrrolidine-3-carboxylate,CCCCCCCC\\C=C/CCCCCCCCN1CC(CC1=O)C(=O)OC,CCCCCCCC\C=C/CCCCCCCCN1CC(CC1=O)C(=O)OC,"InChI=1/C24H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-22(20-23(25)26)24(27)28-2/h10-11,22H,3-9,12-21H2,1-2H3",C24H43NO3,,,,,,IGYHVXBJVMNSAV-KHPPLWFESA-N,,,,,,,,,,,
100.093.038,302-389-5,94108-48-2,"Dodecanedioic acid, sodium salt",sodium 11-carboxyundecanoate,[Na+].OC(=O)CCCCCCCCCCC(=O)[O-],[Na+].OC(=O)CCCCCCCCCCC(=O)[O-],"InChI=1/C12H22O4.Na/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;/h1-10H2,(H,13,14)(H,15,16);/q;+1/p-1",C12H22O4.xNa,,,,,,GSFIWINJXTVRBA-UHFFFAOYSA-M,,,,,,,,,,,
100.093.048,302-400-3,94108-58-4,2-butoxyethyl isobutyrate,2-butoxyethyl 2-methylpropanoate,CCCCOCCOC(=O)C(C)C,CCCCOCCOC(=O)C(C)C,"InChI=1/C10H20O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h9H,4-8H2,1-3H3",C10H20O3,,,,,,MTMWBRRXQJCYSM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.051,302-404-5,94108-64-2,"4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol","4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol",C\\C1=C\\CCC(C)(C)C1CCC(O)(CC)C=CCO,C\C1=C\CCC(C)(C)C1CCC(O)(CC)C=CCO,"InChI=1/C17H30O2/c1-5-17(19,11-7-13-18)12-9-15-14(2)8-6-10-16(15,3)4/h7-8,11,15,18-19H,5-6,9-10,12-13H2,1-4H3",C17H30O2,,,,,,VGKUDTFPDSFCFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.143,298-105-1,93777-71-0,"6-hydroxy-1,1,3,3-tetramethylindan-5-carbaldehyde","6-hydroxy-1,1,3,3-tetramethylindane-5-carbaldehyde",CC1(C)CC(C)(C)c2cc(C=O)c(O)cc12,CC1(C)CC(C)(C)c2cc(C=O)c(O)cc12,"InChI=1/C14H18O2/c1-13(2)8-14(3,4)11-6-12(16)9(7-15)5-10(11)13/h5-7,16H,8H2,1-4H3",C14H18O2,,,,,,OUSUWJXYCHHCFC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.149,298-111-4,93777-77-6,3-cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid,3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid,CC(C)(C)c1cc(cc(C2CCCC2)c1O)C(=O)O,CC(C)(C)c1cc(cc(C2CCCC2)c1O)C(=O)O,"InChI=1/C16H22O3/c1-16(2,3)13-9-11(15(18)19)8-12(14(13)17)10-6-4-5-7-10/h8-10,17H,4-7H2,1-3H3,(H,18,19)",C16H22O3,,,,,,RMAAIZNPBRPHRL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.155,298-118-2,93777-87-8,"N,N-dimethyl-N'-(2-methylphenyl)acetamidine","N,N-dimethyl-N'-(2-methylphenyl)ethanimidamide",CN(C)C(C)=Nc1ccccc1C,CN(C)C(C)=Nc1ccccc1C,"InChI=1/C11H16N2/c1-9-7-5-6-8-11(9)12-10(2)13(3)4/h5-8H,1-4H3",C11H16N2,,,,,,UENINLIJIFKGHL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.157,298-120-3,93777-89-0,2-(1-carboxyethoxy)-1-methyl-2-oxoethyl oleate,2-{[2-(oleoyloxy)propanoyl]oxy}propanoic acid,CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O,"InChI=1/C24H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27)",C24H42O6,,,,,,AEBDQINWULSXIX-QXMHVHEDSA-N,,,,,,,,,,,
100.089.167,298-131-3,93777-99-2,"N,N'-dicyclohexyl-1-methyl-N''-(1-methylpropyl)silanetriamine","N-sec-butyl-N',N''-dicyclohexyl-1-methylsilanetriamine",CCC(C)N[Si](C)(NC1CCCCC1)NC2CCCCC2,CCC(C)N[Si](C)(NC1CCCCC1)NC2CCCCC2,"InChI=1/C17H37N3Si/c1-4-15(2)18-21(3,19-16-11-7-5-8-12-16)20-17-13-9-6-10-14-17/h15-20H,4-14H2,1-3H3",C17H37N3Si,,,,,,YXKAXAHFOHIXQU-UHFFFAOYSA-N,,,,,,,,,,,
100.089.168,298-132-9,93778-00-8,"N-cyclohexyl-1-methyl-N',N''-bis(1-methylpropyl)silanetriamine","N,N'-di-sec-butyl-N''-cyclohexyl-1-methylsilanetriamine",CCC(C)N[Si](C)(NC(C)CC)NC1CCCCC1,CCC(C)N[Si](C)(NC(C)CC)NC1CCCCC1,"InChI=1/C15H35N3Si/c1-6-13(3)16-19(5,17-14(4)7-2)18-15-11-9-8-10-12-15/h13-18H,6-12H2,1-5H3",C15H35N3Si,,,,,,IPPCWAWMOLNDOW-UHFFFAOYSA-N,,,,,,,,,,,
100.100.059,310-140-7,85392-31-0,"2H-pyran-2-methanol, tetrahydro-2,5-dimethyl-, acetate","(2,5-dimethyltetrahydro-2H-pyran-2-yl)methyl acetate",CC1CCC(C)(COC(=O)C)OC1,CC1CCC(C)(COC(=O)C)OC1,"InChI=1/C10H18O3/c1-8-4-5-10(3,13-6-8)7-12-9(2)11/h8H,4-7H2,1-3H3",C10H18O3,,,,,,WUJUWGCPLYEOOS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.750,303-171-2,94158-97-1,2-methyltridecyl methacrylate,2-methyltridecyl methacrylate,CCCCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C18H34O2/c1-5-6-7-8-9-10-11-12-13-14-17(4)15-20-18(19)16(2)3/h17H,2,5-15H2,1,3-4H3",C18H34O2,,,,,,ZYNRPKSDNPNGAS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.734,304-254-6,94247-83-3,[[(methyltetradecyl)oxy]methyl]oxirane,2-{[(1-methyltetradecyl)oxy]methyl}oxirane,CCCCCCCCCCCCCC(C)OCC1CO1,CCCCCCCCCCCCCC(C)OCC1CO1,"InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)19-15-18-16-20-18/h17-18H,3-16H2,1-2H3",C18H36O2,,,,,,GHJFPZKLWAMOSP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.739,304-259-3,94247-88-8,2-(butyl-2-methylphenoxy)-1-(2-phenylethoxy)ethanol,"2-[(6-butyl-6-methylcyclohexa-2,4-dien-1-yl)oxy]-1-(2-phenylethoxy)ethanol",CCCCC1(C)C=CC=CC1OCC(O)OCCc2ccccc2,CCCCC1(C)C=CC=CC1OCC(O)OCCc2ccccc2,"InChI=1/C21H30O3/c1-3-4-14-21(2)15-9-8-12-19(21)24-17-20(22)23-16-13-18-10-6-5-7-11-18/h5-12,15,19-20,22H,3-4,13-14,16-17H2,1-2H3",C21H28O3,,,,,,NCWUPLBOJNBYDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.744,304-265-6,94247-95-7,"Tetradecachloro-29H,31H-phthalocyanine","1,2,3,4,8,9,10,11,15,16,17,18,22,23-tetradecachlorophthalocyanine",Clc1ccc2C3=NC(=NC4=NC(=NC5=NC(=NC6=NC(=N3)c7c(Cl)c(Cl)c(Cl)c(Cl)c67)c8c(Cl)c(Cl)c(Cl)c(Cl)c58)c9c(Cl)c(Cl)c(Cl)c(Cl)c49)c2c1Cl,Clc1ccc2C3=NC(=NC4=NC(=NC5=NC(=NC6=NC(=N3)c7c(Cl)c(Cl)c(Cl)c(Cl)c67)c8c(Cl)c(Cl)c(Cl)c(Cl)c58)c9c(Cl)c(Cl)c(Cl)c(Cl)c49)c2c1Cl,InChI=1/C32H2Cl14N8/c33-4-2-1-3-5(12(4)34)26-47-25(3)48-27-6-7(14(36)20(42)19(41)13(6)35)29(50-27)52-31-10-11(18(40)24(46)23(45)17(10)39)32(54-31)53-30-9-8(28(49-26)51-30)15(37)21(43)22(44)16(9)38/h1-2H,C32H4Cl14N8,,,,,,QKGPRRJCMULPLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.749,304-270-3,94248-00-7,Magnesium octadecyltoluenesulphonate,magnesium bis(2-methyl-6-octadecylbenzenesulfonate),[Mg+2].CCCCCCCCCCCCCCCCCCc1cccc(C)c1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2cccc(C)c2S(=O)(=O)[O-],[Mg+2].CCCCCCCCCCCCCCCCCCc1cccc(C)c1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2cccc(C)c2S(=O)(=O)[O-],"InChI=1/2C25H44O3S.Mg/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22-19-20-23(2)25(24)29(26,27)28;/h2*19-20,22H,3-18,21H2,1-2H3,(H,26,27,28);/q;;+2/p-2",C25H44O3S.1/2Mg,,,,,,VVLFPSBIRCVPAJ-UHFFFAOYSA-L,,,,,,,,,,,
100.094.752,304-274-5,94248-03-0,Ammonium bis(tert-butyl)naphthalenesulphonate,"ammonium 2,3-di-tert-butylnaphthalene-1-sulfonate",[NH4+].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-],[NH4+].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-],"InChI=1/C18H24O3S.H3N/c1-17(2,3)14-11-12-9-7-8-10-13(12)16(22(19,20)21)15(14)18(4,5)6;/h7-11H,1-6H3,(H,19,20,21);1H3",C20H28O3S.H3N,,,,,,AZSNVKYBSYPYKG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.758,304-280-8,94248-09-6,"Naphthalenesulphonic acid, compound with dipentylamine (1:1)",naphthalene-1-sulfonic acid - N-pentylpentan-1-amine (1:1),CCCCCNCCCCC.OS(=O)(=O)c1cccc2ccccc12,CCCCCNCCCCC.OS(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H23N.C10H8O3S/c1-3-5-7-9-11-10-8-6-4-2;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h11H,3-10H2,1-2H3;1-7H,(H,11,12,13)",C10H23N.C10H8O3S,,,,,,OEWVMTIRSIJENF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.763,304-286-0,94248-14-3,"Sodium [[4-anilino-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthryl]amino]benzenesulphonate","sodium 2-[(4-anilino-1-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)amino]benzenesulfonate",[Na+].Oc1c(Nc2ccccc2S(=O)(=O)[O-])cc(Nc3ccccc3)c4C(=O)c5ccccc5C(=O)c14,[Na+].Oc1c(Nc2ccccc2S(=O)(=O)[O-])cc(Nc3ccccc3)c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C26H18N2O6S.Na/c29-24-16-10-4-5-11-17(16)25(30)23-22(24)19(27-15-8-2-1-3-9-15)14-20(26(23)31)28-18-12-6-7-13-21(18)35(32,33)34;/h1-14,27-28,31H,(H,32,33,34);/q;+1/p-1",C26H18N2O6S.Na,,,,,,WZDYIIIEAXZWKA-UHFFFAOYSA-M,,,,,,,,,,,
100.094.767,304-290-2,94248-18-7,"Dinitro-1,4-bis(2,4,6-trinitrophenoxy)benzene","1,1'-[(3,4-dinitrocyclohexa-1,5-diene-1,4-diyl)bis(oxy)]bis(2,4,6-trinitrobenzene)",[O-][N+](=O)C1C=C(Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C=CC1(Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C1C=C(Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C=CC1(Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H8N8O18/c27-19(28)8-3-11(21(31)32)16(12(4-8)22(33)34)43-10-1-2-18(26(41)42,15(7-10)25(39)40)44-17-13(23(35)36)5-9(20(29)30)6-14(17)24(37)38/h1-7,15H",C18H6N8O18,,,,,,LISYSRMAZVNCML-UHFFFAOYSA-N,,,,,,,,,,,
100.098.230,308-105-6,97862-57-2,"Hexanoic acid, 2-ethyl-, 35-hydroxy-3,6,9,12,15,18,21,24,27,30,31-undecaoxapentatriacont-1-yl ester","35-hydroxy-3,6,9,12,15,18,21,24,27,30,31-undecaoxapentatriacont-1-yl 2-ethylhexanoate",CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOOCCCCO,CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOOCCCCO,"InChI=1/C32H64O14/c1-3-5-8-31(4-2)32(34)44-29-27-42-25-23-40-21-19-38-17-15-36-13-11-35-12-14-37-16-18-39-20-22-41-24-26-43-28-30-46-45-10-7-6-9-33/h31,33H,3-30H2,1-2H3",-,,,,,,GJHQPVNLGJBWBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.598,304-105-5,94237-06-6,"3-chloro-1,1,1,5,5,5-hexamethyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)trisiloxane","3-chloro-1,1,1,5,5,5-hexamethyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)trisiloxane",C[Si](C)(C)O[Si](Cl)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C,C[Si](C)(C)O[Si](Cl)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C,"InChI=1/C14H22ClF13O2Si3/c1-31(2,3)29-33(15,30-32(4,5)6)8-7-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)28/h7-8H2,1-6H3",C14H22ClF13O2Si3,,,,,,YFBVNTASMGOUJT-UHFFFAOYSA-N,,,,,,,,,,,
100.096.591,306-301-6,96846-65-0,"1,1-dimethyl-5-methyleneheptyl valerate","1,1-dimethyl-5-methyleneheptyl valerate",CCCCC(=O)OC(C)(C)CCCC(=C)CC,CCCCC(=O)OC(C)(C)CCCC(=C)CC,"InChI=1/C15H28O2/c1-6-8-11-14(16)17-15(4,5)12-9-10-13(3)7-2/h3,6-12H2,1-2,4-5H3",C15H28O2,,,,,,AHRBCOJLJNGMPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.098.301,308-183-1,97890-04-5,"(E)-2-(3,3-dimethylcyclohexylidene)ethyl acetate","2-(3,3-dimethylcyclohexylidene)ethyl acetate",CC(=O)OC\\C=C\\1/CCCC(C)(C)C1,CC(=O)OC\C=C\1/CCCC(C)(C)C1,"InChI=1/C12H20O2/c1-10(13)14-8-6-11-5-4-7-12(2,3)9-11/h6H,4-5,7-9H2,1-3H3",C12H20O2,,,,,,VETKXRAMNAWPAN-IZZDOVSWSA-N,,,,,,,,,,,
100.098.315,308-198-3,97890-18-1,"Bis(2,3-epoxypropyl) 3,4,5,6-tetrabromophthalate","bis(oxiran-2-ylmethyl) 3,4,5,6-tetrabromophthalate",Brc1c(Br)c(Br)c(C(=O)OCC2CO2)c(C(=O)OCC3CO3)c1Br,Brc1c(Br)c(Br)c(C(=O)OCC2CO2)c(C(=O)OCC3CO3)c1Br,"InChI=1/C14H10Br4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6H,1-4H2",C14H10Br4O6,,,,,,FQFKYMNKPKSKMX-UHFFFAOYSA-N,,,,,,,,,,,
100.098.317,308-200-2,97890-21-6,"Magnesium 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diolate 3,9-dioxide","magnesium 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diolate 3,9-dioxide",[Mg+2].[O-]P1(=O)OCC2(COP(=O)([O-])OC2)CO1,[Mg+2].[O-]P1(=O)OCC2(COP(=O)([O-])OC2)CO1,"InChI=1/C5H10O8P2.Mg/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5;/h1-4H2,(H,6,7)(H,8,9);/q;+2/p-2",C5H10O8P2.Mg,,,,,,ZEHBBBLYKVANRG-UHFFFAOYSA-L,,,,,,,,,,,
100.094.607,304-114-4,94237-15-7,1-(4-nonylphenoxy)propan-2-ol,1-(4-nonylphenoxy)propan-2-ol,CCCCCCCCCc1ccc(OCC(C)O)cc1,CCCCCCCCCc1ccc(OCC(C)O)cc1,"InChI=1/C18H30O2/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20-15-16(2)19/h11-14,16,19H,3-10,15H2,1-2H3",C18H30O2,,,,,,WLCXMYXZQNWTKN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.613,304-121-2,94237-21-5,Bis[tris(2-hydroxyethyl)ammonium] nitroheptanedioate,"bis[2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium] 2-nitroheptanedioate",OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCCCC(C(=O)[O-])[N+](=O)[O-],OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCCCC(C(=O)[O-])[N+](=O)[O-],"InChI=1/C7H11NO6.2C6H15NO3/c9-6(10)4-2-1-3-5(7(11)12)8(13)14;2*8-4-1-7(2-5-9)3-6-10/h5H,1-4H2,(H,9,10)(H,11,12);2*8-10H,1-6H2",C7H11NO6.2C6H15NO3,,,,,,HHXIFUXZIFFBLH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.618,304-127-5,94237-30-6,[1-[(1-phenylethyl)phenyl]ethyl]-m-xylene,"1,3-dimethyl-2-{1-[2-(1-phenylethyl)phenyl]ethyl}benzene",CC(c1ccccc1)c2ccccc2C(C)c3c(C)cccc3C,CC(c1ccccc1)c2ccccc2C(C)c3c(C)cccc3C,"InChI=1/C24H26/c1-17-11-10-12-18(2)24(17)20(4)23-16-9-8-15-22(23)19(3)21-13-6-5-7-14-21/h5-16,19-20H,1-4H3",C24H26,,,,,,YMCLEEKGMXFGLP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.624,304-133-8,94237-37-3,"Sodium (+)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate","sodium 2-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)sulfanyl]phenyl}propanoate",[Na+].CC(C(=O)[O-])c1ccc(SN2Cc3ccccc3C2=O)cc1,[Na+].CC(C(=O)[O-])c1ccc(SN2Cc3ccccc3C2=O)cc1,"InChI=1/C17H15NO3S.Na/c1-11(17(20)21)12-6-8-14(9-7-12)22-18-10-13-4-2-3-5-15(13)16(18)19;/h2-9,11H,10H2,1H3,(H,20,21);/q;+1/p-1",C17H15NO3.Na,,,,,,ZROMPRNVGQDWHE-UHFFFAOYSA-M,,,,,,,,,,,
100.094.625,304-134-3,94237-38-4,"Sodium (-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate","sodium 2-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)sulfanyl]phenyl}propanoate",[Na+].CC(C(=O)[O-])c1ccc(SN2Cc3ccccc3C2=O)cc1,[Na+].CC(C(=O)[O-])c1ccc(SN2Cc3ccccc3C2=O)cc1,"InChI=1/C17H15NO3S.Na/c1-11(17(20)21)12-6-8-14(9-7-12)22-18-10-13-4-2-3-5-15(13)16(18)19;/h2-9,11H,10H2,1H3,(H,20,21);/q;+1/p-1",C17H15NO3.Na,,,,,,ZROMPRNVGQDWHE-UHFFFAOYSA-M,,,,,,,,,,,
100.094.626,304-135-9,94237-39-5,"Dioctadecyl 4,4'-[(dibutylstannylene)bis(oxy)]bis[4-oxocrotonate]","octadecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9-dien-1-oate",CCCCCCCCCCCCCCCCCCOC(=O)\\C=C\\C(=O)O[Sn](CCCC)(CCCC)OC(=O)\\C=C\\C(=O)OCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C(=O)O[Sn](CCCC)(CCCC)OC(=O)\C=C\C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1/2C22H40O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC52H96O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-57-49(53)41-43-51(55)59-61(47-11-7-3,48-12-8-4)60-52(56)44-42-50(54)58-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h41-44H,5-40,45-48H2,1-4H3",C52H96O8Sn,,,,,,WHWTUCZRUDXTMZ-CKOIWFHQSA-L,,,,,,,,,,,
100.077.903,285-723-1,85136-01-2,"5-[[4'-[[6-amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulpho-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-4-methylbenzoic acid","5-[(4'-{[6-amino-5-(1H-benzotriazol-4-yldiazenyl)-1-hydroxy-3-sulfo-2-naphthyl]diazenyl}-3,3'-dimethoxybiphenyl-4-yl)diazenyl]-2-hydroxy-4-methylbenzoic acid",OC(=O)c7cc(N=Nc1ccc(cc1OC)c6ccc(N=Nc5c(cc4c(ccc(N)c4N=Nc3cccc2nnnc23)c5O)S(O)(=O)=O)c(OC)c6)c(C)cc7O,OC(=O)c7cc(N=Nc1ccc(cc1OC)c6ccc(N=Nc5c(cc4c(ccc(N)c4N=Nc3cccc2nnnc23)c5O)S(O)(=O)=O)c(OC)c6)c(C)cc7O,"InChI=1/C38H30N10O9S/c1-18-13-30(49)23(38(51)52)16-29(18)43-40-25-11-7-19(14-31(25)56-2)20-8-12-26(32(15-20)57-3)41-46-36-33(58(53,54)55)17-22-21(37(36)50)9-10-24(39)34(22)45-42-27-5-4-6-28-35(27)47-48-44-28/h4-17,49-50H,39H2,1-3H3,(H,51,52)(H,44,47,48)(H,53,54,55)",C38H30N10O9S,,,,,,WEYVVYDDRJQUBF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.907,285-727-3,85136-05-6,"4,7-dimethyl-4-vinyloct-6-en-3-ol","4,7-dimethyl-4-vinyloct-6-en-3-ol",CCC(O)C(C)(CC=C(C)C)C=C,CCC(O)C(C)(CC=C(C)C)C=C,"InChI=1/C12H22O/c1-6-11(13)12(5,7-2)9-8-10(3)4/h7-8,11,13H,2,6,9H2,1,3-5H3",C12H22O,,,,,,BLLRZXYXUWMGHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.908,285-728-9,85136-06-7,2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol,2-ethyl-2-(3-methylbut-2-en-1-yl)hex-3-en-1-ol,CCC(C=CCC)(CO)C\\C=C(/C)C,CCC(C=CCC)(CO)C\C=C(/C)C,"InChI=1/C13H24O/c1-5-7-9-13(6-2,11-14)10-8-12(3)4/h7-9,14H,5-6,10-11H2,1-4H3",C13H24O,,,,,,FVVHZRFAPSXWTL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.922,285-744-6,85136-20-5,"5-oxo-DL-proline, compound with (carboxylatomethyl)trimethylammonium (1:1)",(trimethylammonio)acetate - 5-oxo-L-proline (1:1),C[N+](C)(C)CC(=O)[O-].OC(=O)[C@@H]1CCC(=O)N1,C[N+](C)(C)CC(=O)[O-].OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C5H11NO2/c7-4-2-1-3(6-4)5(8)9;1-6(2,3)4-5(7)8/h3H,1-2H2,(H,6,7)(H,8,9);4H2,1-3H3",C5H11NO2.C5H7NO3,,,,,,WOPICKJSMWPYCA-DFWYDOINSA-N,,,,,,,,,,,
100.077.929,285-751-4,85136-27-2,"Trisodium 4-[[4-[[6-(3-tert-butylphenoxy)-4-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","trisodium 4-[(4-{[4-(3-tert-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].CC(C)(C)c1cc(ccc1)Oc2nc(Cl)nc(n2)Nc5ccc(N=NC4\\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].CC(C)(C)c1cc(ccc1)Oc2nc(Cl)nc(n2)Nc5ccc(N=NC4\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(c5)S([O-])(=O)=O,"InChI=1/C29H25ClN8O10S2.3Na/c1-29(2,3)15-5-4-6-18(13-15)48-28-33-26(30)32-27(34-28)31-16-7-12-20(21(14-16)50(45,46)47)35-36-22-23(25(40)41)37-38(24(22)39)17-8-10-19(11-9-17)49(42,43)44;;;/h4-14,22H,1-3H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34);;;/q;3*+1/p-3",C29H25ClN8O10S2.3Na,,,,,,OJWJUULVVCBILW-UHFFFAOYSA-K,,,,,,,,,,,
100.077.931,285-754-0,85136-30-7,"Octahydro-3a,6a-dimethylpentalenyl formate","3a,6a-dimethyloctahydropentalen-1-yl formate",CC12CCCC2(C)C(OC=O)CC1,CC12CCCC2(C)C(OC=O)CC1,"InChI=1/C11H18O2/c1-10-5-3-6-11(10,2)9(4-7-10)13-8-12/h8-9H,3-7H2,1-2H3",C11H18O2,,,,,,VXKBEDMIXDHHKT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.932,285-755-6,85136-31-8,4-[(dimethylphenyl)azo]-1-naphthol,"4-[(2,3-dimethylphenyl)diazenyl]-1-naphthol",Cc3cccc(N=Nc1ccc(O)c2ccccc12)c3C,Cc3cccc(N=Nc1ccc(O)c2ccccc12)c3C,"InChI=1/C18H16N2O/c1-12-6-5-9-16(13(12)2)19-20-17-10-11-18(21)15-8-4-3-7-14(15)17/h3-11,21H,1-2H3",C18H16N2O,,,,,,BBIIRLWNQVIANV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.953,285-778-1,85136-54-5,2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-tolyl]azo]-3-bromo-5-nitrobenzoate,2-methoxyethyl 4-({4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)-3-bromo-5-nitrobenzoate,Brc2cc(cc(c2N=Nc1ccc(cc1C)N(CCO)CCO)[N+]([O-])=O)C(=O)OCCOC,Brc2cc(cc(c2N=Nc1ccc(cc1C)N(CCO)CCO)[N+]([O-])=O)C(=O)OCCOC,"InChI=1/C21H25BrN4O7/c1-14-11-16(25(5-7-27)6-8-28)3-4-18(14)23-24-20-17(22)12-15(13-19(20)26(30)31)21(29)33-10-9-32-2/h3-4,11-13,27-28H,5-10H2,1-2H3",C21H25BrN4O7,,,,,,IDLLVUHLKAFFSN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.955,285-780-2,85136-56-7,2-methoxyethyl 4-[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]azo]-3-nitrobenzoate,2-methoxyethyl 4-({4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl}diazenyl)-3-nitrobenzoate,N#CCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)C(=O)OCCOC)cc2,N#CCCN(CCO)c2ccc(N=Nc1ccc(cc1[N+]([O-])=O)C(=O)OCCOC)cc2,"InChI=1/C21H23N5O6/c1-31-13-14-32-21(28)16-3-8-19(20(15-16)26(29)30)24-23-17-4-6-18(7-5-17)25(11-12-27)10-2-9-22/h3-8,15,27H,2,10-14H2,1H3",C21H23N5O6,,,,,,YWCAZPNMWLSMTF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.956,285-781-8,85136-57-8,N-[5-(diethylamino)-2-[(4-nitrophenyl)azo]phenyl]butyramide,N-{5-(diethylamino)-2-[(4-nitrophenyl)diazenyl]phenyl}butanamide,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(=O)CCC)N(CC)CC)cc2,[O-][N+](=O)c2ccc(N=Nc1ccc(cc1NC(=O)CCC)N(CC)CC)cc2,"InChI=1/C20H25N5O3/c1-4-7-20(26)21-19-14-17(24(5-2)6-3)12-13-18(19)23-22-15-8-10-16(11-9-15)25(27)28/h8-14H,4-7H2,1-3H3,(H,21,26)",C20H25N5O3,,,,,,UDMUBTJAUGITJH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.963,285-789-1,85136-64-7,Sodium 4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-methylbenzenesulphonate,sodium 4-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c3cc(N=Nc1c2ccccc2ccc1O)c(O)c(C)c3,[Na+].[O-]S(=O)(=O)c3cc(N=Nc1c2ccccc2ccc1O)c(O)c(C)c3,"InChI=1/C17H14N2O5S.Na/c1-10-8-12(25(22,23)24)9-14(17(10)21)18-19-16-13-5-3-2-4-11(13)6-7-15(16)20;/h2-9,20-21H,1H3,(H,22,23,24);/q;+1/p-1",C17H14N2O5S.Na,,,,,,SZNNAHNKEBYFNP-UHFFFAOYSA-M,,,,,,,,,,,
100.077.967,285-793-3,85136-68-1,"7-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxynaphthalene-2-sulphonic acid","4-hydroxy-7-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-2-sulfonic acid",CC1=NN(C(=O)C1)c2ccc3c(O)cc(cc3c2)S(=O)(=O)O,CC1=NN(C(=O)C1)c2ccc3c(O)cc(cc3c2)S(=O)(=O)O,"InChI=1/C14H12N2O5S/c1-8-4-14(18)16(15-8)10-2-3-12-9(5-10)6-11(7-13(12)17)22(19,20)21/h2-3,5-7,17H,4H2,1H3,(H,19,20,21)",C14H12N2O5S,,,,,,UGIGSDAVKXWWJV-UHFFFAOYSA-N,,,,,,,,,,,
100.089.172,298-137-6,93778-04-2,4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-[(4-aminophenyl)methyl]aniline,4-[4-amino-3-(4-aminobenzyl)benzyl]-2-ethyl-6-methylaniline,CCc1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc(C)c1N,CCc1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc(C)c1N,"InChI=1/C23H27N3/c1-3-19-14-18(10-15(2)23(19)26)11-17-6-9-22(25)20(13-17)12-16-4-7-21(24)8-5-16/h4-10,13-14H,3,11-12,24-26H2,1-2H3",C23H27N3,,,,,,ORSCJOCWFIZUPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.026,300-175-6,93923-85-4,N2-formyl-L-asparagine,N~2~-formyl-L-asparagine,NC(=O)C[C@H](NC=O)C(=O)O,NC(=O)C[C@H](NC=O)C(=O)O,"InChI=1/C5H8N2O4/c6-4(9)1-3(5(10)11)7-2-8/h2-3H,1H2,(H2,6,9)(H,7,8)(H,10,11)",C5H8N2O4,,,,,,JAVLYLWAJRRFPC-VKHMYHEASA-N,,,,,,,,,,,
100.091.040,300-190-8,93923-99-0,"(Z)-1-(2-carboxylatoethyl)-2-(heptadec-8-enyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium",3-[2-heptadec-8-en-1-yl-3-(2-hydroxyethyl)imidazolidin-1-ium-1-yl]propanoate,CCCCCCCC\\C=C/CCCCCCCC1N(CCO)CC[NH+]1CCC(=O)[O-],CCCCCCCC\C=C/CCCCCCCC1N(CCO)CC[NH+]1CCC(=O)[O-],"InChI=1/C25H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26(19-18-25(29)30)20-21-27(24)22-23-28/h9-10,24,28H,2-8,11-23H2,1H3,(H,29,30)",C25H46N2O3,,,,,,VFRKGJMOZDJYMB-KTKRTIGZSA-N,,,,,,,,,,,
100.091.041,300-191-3,93924-00-6,"6,6-diethoxy-2,5,7,10-tetraoxa-6-silaundecane",diethyl bis(2-methoxyethyl) orthosilicate,CCO[Si](OCC)(OCCOC)OCCOC,CCO[Si](OCC)(OCCOC)OCCOC,"InChI=1/C10H24O6Si/c1-5-13-17(14-6-2,15-9-7-11-3)16-10-8-12-4/h5-10H2,1-4H3",C10H24O6Si,,,,,,AJBUULSSSLAURP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.074,302-429-1,94108-92-6,7-[[3-(acetylamino)benzoyl]amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid,7-[(3-acetamidobenzoyl)amino]-4-hydroxy-3-({2-methyl-4-[(2-methyl-4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid,CC(=O)Nc1cccc(c1)C(=O)Nc2ccc5c(c2)cc(c(N=Nc4ccc(N=Nc3ccc(cc3C)S(O)(=O)=O)cc4C)c5O)S(O)(=O)=O,CC(=O)Nc1cccc(c1)C(=O)Nc2ccc5c(c2)cc(c(N=Nc4ccc(N=Nc3ccc(cc3C)S(O)(=O)=O)cc4C)c5O)S(O)(=O)=O,"InChI=1/C33H28N6O9S2/c1-18-13-25(36-37-29-12-9-26(14-19(29)2)49(43,44)45)8-11-28(18)38-39-31-30(50(46,47)48)17-22-16-24(7-10-27(22)32(31)41)35-33(42)21-5-4-6-23(15-21)34-20(3)40/h4-17,41H,1-3H3,(H,34,40)(H,35,42)(H,43,44,45)(H,46,47,48)",C33H28N6O9S2,,,,,,LHYFMMXBRLXCJL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.076,302-431-2,94108-94-8,"Methyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]ß-alaninate","methyl N-{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}-beta-alaninate",Brc2cc(cc(c2N=Nc1cc(OCC)c(NCCC(=O)OC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OCC)c(NCCC(=O)OC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H21BrN6O8/c1-4-35-18-10-15(14(23-11(2)28)9-16(18)22-6-5-19(29)34-3)24-25-20-13(21)7-12(26(30)31)8-17(20)27(32)33/h7-10,22H,4-6H2,1-3H3,(H,23,28)",C20H21BrN6O8,,,,,,PBUMZYFAPJBJMW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.079,302-434-9,94108-97-1,"2-[[2,2-bis[[(1-oxoallyl)oxy]methyl]butoxy]methyl]-2-ethyl-1,3-propanediyl diacrylate","2-[(acryloyloxy)methyl]-2-({2,2-bis[(acryloyloxy)methyl]butoxy}methyl)butyl acrylate (non-preferred name)",CCC(COCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,CCC(COCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C24H34O9/c1-7-19(25)30-15-23(11-5,16-31-20(26)8-2)13-29-14-24(12-6,17-32-21(27)9-3)18-33-22(28)10-4/h7-10H,1-4,11-18H2,5-6H3",C24H34O9,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13328,https://echa.europa.eu/substance-information/-/substanceinfo/100.093.079,XRMBQHTWUBGQDN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.089,302-445-9,94109-08-7,Dodecyl hydrogen azelate,9-(dodecyloxy)-9-oxononanoic acid,CCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O,CCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O,"InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-13-16-19-25-21(24)18-15-12-10-11-14-17-20(22)23/h2-19H2,1H3,(H,22,23)",C21H40O4,,,,,,FIQPWWYQZYPWCG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.095,302-452-7,94109-14-5,2-heptadecylidene-4-hexadecyloxetan-3-one,2-heptadecylidene-4-hexadecyloxetan-3-one,CCCCCCCCCCCCCCCCC1OC(=CCCCCCCCCCCCCCCCC)C1=O,CCCCCCCCCCCCCCCCC1OC(=CCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37)34(38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3",C36H68O2,,,,,,JITFPKAUEWZAOD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.101,302-459-5,94109-20-3,"2,3-bis(2,4-dimethylphenoxy)propan-1-ol","2,3-bis(2,4-dimethylphenoxy)propan-1-ol",Cc1ccc(OCC(CO)Oc2ccc(C)cc2C)c(C)c1,Cc1ccc(OCC(CO)Oc2ccc(C)cc2C)c(C)c1,"InChI=1/C19H24O3/c1-13-5-7-18(15(3)9-13)21-12-17(11-20)22-19-8-6-14(2)10-16(19)4/h5-10,17,20H,11-12H2,1-4H3",C19H24O3,,,,,,LNIPKNVYCLDKBU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.102,302-460-0,94109-21-4,"Tribarium bis[4-[(4-chloro-3-sulphonatophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate]","tribarium bis[4-[(4-chloro-3-sulphonatophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate]",[Ba+2].[Ba+2].[Ba+2].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc3c(c1)cc(c(O)c3N=Nc2ccc(Cl)c(c2)S([O-])(=O)=O)S([O-])(=O)=O,[Ba+2].[Ba+2].[Ba+2].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc3c(c1)cc(c(O)c3N=Nc2ccc(Cl)c(c2)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/2C16H11ClN2O10S3.3Ba/c2*17-12-4-1-9(7-13(12)31(24,25)26)18-19-15-11-3-2-10(30(21,22)23)5-8(11)6-14(16(15)20)32(27,28)29;;;/h2*1-7,20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;;3*+2/p-6",C16H11ClN2O10S3.3/2Ba,,,,,,MVNYNYMEDUJMFW-UHFFFAOYSA-H,,,,,,,,,,,
100.100.117,310-203-9,42917-79-3,"Trichlorozincate(1-) of 5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium","5-{[4-(dimethylamino)phenyl]diazenyl}-1,4-dimethyl-4H-1,2,4-triazol-1-ium trichlorozincate(1-)",Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.Cl[Zn-](Cl)Cl,Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.Cl[Zn-](Cl)Cl,"InChI=1/C12H17N6.3ClH.Zn/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;;;;/h5-9H,1-4H3;3*1H;/q+1;;;;+2/p-3/rC12H17N6.Cl3Zn/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-4(2)3/h5-9H,1-4H3;/q+1;-1",-,,,,,,DITYSXJJTFAZKO-UHFFFAOYSA-K,,,,,,,,,,,
100.100.119,310-206-5,57987-84-5,"Methyl 3,4-dihydro-6-methyl-2H-pyran-5-carboxylate","methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate",COC(=O)C1=C(C)OCCC1,COC(=O)C1=C(C)OCCC1,"InChI=1/C8H12O3/c1-6-7(8(9)10-2)4-3-5-11-6/h3-5H2,1-2H3",C8H12O3,,,,,,GPYBLZCROOSNOX-UHFFFAOYSA-N,,,,,,,,,,,
100.100.121,310-208-6,70353-89-8,"Dichlorobis(monomethylsulfato-O')zincate(2-) of bis[5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium]","bis(5-{[4-(dimethylamino)phenyl]diazenyl}-1,4-dimethyl-4H-1,2,4-triazol-1-ium) dichloro[bis(sulfate)]zincate(2-)",Cn2cn[n+](C)c2\\N=N/c1ccc(cc1)N(C)C.O=S(=O)(OC)O[Zn-2](Cl)(Cl)OS(=O)(=O)OC.CN(C)c1ccc(cc1)/N=N/c2[n+](C)ncn2C,Cn2cn[n+](C)c2\N=N/c1ccc(cc1)N(C)C.O=S(=O)(OC)O[Zn-2](Cl)(Cl)OS(=O)(=O)OC.CN(C)c1ccc(cc1)/N=N/c2[n+](C)ncn2C,"InChI=1/2C12H17N6.2CH4O4S.2ClH.Zn/c2*1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;2*1-5-6(2,3)4;;;/h2*5-9H,1-4H3;2*1H3,(H,2,3,4);2*1H;/q2*+1;;;;;+2/p-4/r2C12H17N6.C2H6Cl2O8S2Zn/c2*1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-9-13(5,6)11-15(3,4)12-14(7,8)10-2/h2*5-9H,1-4H3;1-2H3/q2*+1;-2",-,,,,,,RGDUHSRXOFNWPO-UHFFFAOYSA-J,,,,,,,,,,,
100.093.751,303-172-8,94158-98-2,2-methyltetradecyl methacrylate,2-methyltetradecyl methacrylate,CCCCCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C19H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-18(4)16-21-19(20)17(2)3/h18H,2,5-16H2,1,3-4H3",C19H36O2,,,,,,YPJYXIKYLGKKLB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.755,303-177-5,94159-02-1,2-methyloctadecyl methacrylate,2-methyloctadecyl methacrylate,CCCCCCCCCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C23H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4)20-25-23(24)21(2)3/h22H,2,5-20H2,1,3-4H3",C23H44O2,,,,,,DTRWHMDQVSSTEB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.756,303-178-0,94159-03-2,2-methylnonadecyl methacrylate,2-methylnonadecyl methacrylate,CCCCCCCCCCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C24H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4)21-26-24(25)22(2)3/h23H,2,5-21H2,1,3-4H3",C24H46O2,,,,,,SMGFNKBXAUWIPP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.757,303-179-6,94159-04-3,"7-[[4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-2-sulphophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,5-trisulphonic acid","7-[(4-{[4-({5-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]-2-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]naphthalene-1,3,5-trisulfonic acid",OS(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4)c(cc5)S(O)(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,OS(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4)c(cc5)S(O)(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,"InChI=1/C39H26ClN9O17S5/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51/h1-16,42H,41H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,43,44,45,46,47)",C39H26ClN9O17S5,,,,,,PXJCQWAOSXBGAV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.760,303-182-2,94159-07-6,"4-[[6-[[4-chloro-6-[(4-methoxy-2-sulphophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-1-hydroxy-3-sulpho-2-naphthyl]azo]benzoic acid","4-({6-[{4-chloro-6-[(4-methoxy-2-sulfophenyl)amino]-1,3,5-triazin-2-yl}(methyl)amino]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)benzoic acid",Clc2nc(Nc1ccc(OC)cc1S(O)(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(cc3)C(O)=O)c(O)c5cc4)S(O)(=O)=O,Clc2nc(Nc1ccc(OC)cc1S(O)(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(cc3)C(O)=O)c(O)c5cc4)S(O)(=O)=O,"InChI=1/C28H22ClN7O10S2/c1-36(28-32-26(29)31-27(33-28)30-20-10-8-18(46-2)13-21(20)47(40,41)42)17-7-9-19-15(11-17)12-22(48(43,44)45)23(24(19)37)35-34-16-5-3-14(4-6-16)25(38)39/h3-13,37H,1-2H3,(H,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33)",C28H22ClN7O10S2,,,,,,TUZQYAXRJPZJNH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.762,303-184-3,94159-09-8,"Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo-","2-[(1-{4-[2-(4-{[4-anilino-6-({4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}-2-sulfophenyl)vinyl]-3-sulfophenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-sulfobenzoic acid",OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc4nc(Nc3ccccc3)nc(n4)Nc8ccc(C=Cc5ccc(cc5S(O)(=O)=O)N7/N=C(/C)C(N=Nc6ccc(cc6C(O)=O)S(O)(=O)=O)C7=O)c(c8)S(O)(=O)=O,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc4nc(Nc3ccccc3)nc(n4)Nc8ccc(C=Cc5ccc(cc5S(O)(=O)=O)N7/N=C(/C)C(N=Nc6ccc(cc6C(O)=O)S(O)(=O)=O)C7=O)c(c8)S(O)(=O)=O,"InChI=1/C47H36N12O15S3/c1-25-41(57-56-37-19-18-34(75(66,67)68)24-35(37)43(62)63)42(61)59(58-25)33-17-10-27(40(23-33)77(72,73)74)8-7-26-9-11-31(22-39(26)76(69,70)71)50-47-52-45(48-28-5-3-2-4-6-28)51-46(53-47)49-29-12-14-30(15-13-29)54-55-32-16-20-38(60)36(21-32)44(64)65/h2-24,41,60H,1H3,(H,62,63)(H,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H3,48,49,50,51,52,53)",C47H36N12O15S3,,,,,,WDPUTVMCEHVBRT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.766,303-189-0,94159-13-4,1-methylpentyl methacrylate,1-methylpentyl methacrylate,CCCCC(C)OC(=O)C(=C)C,CCCCC(C)OC(=O)C(=C)C,"InChI=1/C10H18O2/c1-5-6-7-9(4)12-10(11)8(2)3/h9H,2,5-7H2,1,3-4H3",C10H18O2,,,,,,USPLKTKSLPLUJG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.595,306-305-8,96846-70-7,"Benzenesulfonic acid, 3-[5-amino-4-[[4-[[4-[[5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:2)","3-[5-amino-4-({4-[(4-{[5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}benzoyl)amino]phenyl}diazenyl)-3-methyl-1H-pyrazol-1-yl]benzenesulfonic acid - 2,2',2''-nitrilotriethanol (1:2)",OCCN(CCO)CCO.OCCN(CCO)CCO.OS(=O)(=O)c1cccc(c1)n6nc(C)c(N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=Nc5c(C)nn(c4cc(ccc4)S(O)(=O)=O)c5N)c6N,OCCN(CCO)CCO.OCCN(CCO)CCO.OS(=O)(=O)c1cccc(c1)n6nc(C)c(N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=Nc5c(C)nn(c4cc(ccc4)S(O)(=O)=O)c5N)c6N,"InChI=1/C33H29N11O7S2.2C6H15NO3/c1-19-29(31(34)43(41-19)25-5-3-7-27(17-25)52(46,47)48)39-37-23-11-9-21(10-12-23)33(45)36-22-13-15-24(16-14-22)38-40-30-20(2)42-44(32(30)35)26-6-4-8-28(18-26)53(49,50)51;2*8-4-1-7(2-5-9)3-6-10/h3-18H,34-35H2,1-2H3,(H,36,45)(H,46,47,48)(H,49,50,51);2*8-10H,1-6H2",C33H29N11O7S2.2C6H15NO3,,,,,,PNYVACRZHPCNJM-UHFFFAOYSA-N,,,,,,,,,,,
100.096.599,306-310-5,96846-74-1,"1,1,5-trimethylheptyl isobutyrate","1,1,5-trimethylheptyl 2-methylpropanoate",CCC(C)CCCC(C)(C)OC(=O)C(C)C,CCC(C)CCCC(C)(C)OC(=O)C(C)C,"InChI=1/C14H28O2/c1-7-12(4)9-8-10-14(5,6)16-13(15)11(2)3/h11-12H,7-10H2,1-6H3",C14H28O2,,,,,,LPTXTWZRUPEIGT-UHFFFAOYSA-N,,,,,,,,,,,
100.096.601,306-312-6,96846-76-3,"1,1-dimethyl-5-methyleneheptyl isovalerate","1,1-dimethyl-5-methyleneheptyl 3-methylbutanoate",CCC(=C)CCCC(C)(C)OC(=O)CC(C)C,CCC(=C)CCCC(C)(C)OC(=O)CC(C)C,"InChI=1/C15H28O2/c1-7-13(4)9-8-10-15(5,6)17-14(16)11-12(2)3/h12H,4,7-11H2,1-3,5-6H3",C15H28O2,,,,,,YOUZPPOBZXKXHX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.707,304-224-2,94247-53-7,4-cyclohexyl hydrogen 2-octadecenylsuccinate,2-[2-(cyclohexyloxy)-2-oxoethyl]icos-4-enoate,O=C(OC1CCCCC1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,O=C(OC1CCCCC1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C28H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(28(30)31)24-27(29)32-26-22-19-17-20-23-26/h16,18,25-26H,2-15,17,19-24H2,1H3,(H,30,31)/p-1",C28H50O4,,,,,,VNYJGPQINNHVKF-UHFFFAOYSA-M,,,,,,,,,,,
100.094.711,304-228-4,94247-60-6,"N,N-dibutyloctadecenamide","N,N-dibutyloctadec-2-enamide",CCCCN(CCCC)C(=O)C=CCCCCCCCCCCCCCCC,CCCCN(CCCC)C(=O)C=CCCCCCCCCCCCCCCC,"InChI=1/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h22-23H,4-21,24-25H2,1-3H3",C26H51NO,,,,,,BDCIMPVVHVHFAW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.719,304-237-3,94247-68-4,[2-isopropoxymethylethoxy]propanol,1-(3-isopropoxypropoxy)propan-1-ol,CCC(O)OCCCOC(C)C,CCC(O)OCCCOC(C)C,"InChI=1/C9H20O3/c1-4-9(10)12-7-5-6-11-8(2)3/h8-10H,4-7H2,1-3H3",C9H20O3,,,,,,LLVMMPRCCAGSMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.725,304-244-1,94247-74-2,Diisobutylnaphthalene-1-sulphonic acid,"2,3-diisobutylnaphthalene-1-sulfonic acid",CC(C)Cc1cc2ccccc2c(c1CC(C)C)S(=O)(=O)O,CC(C)Cc1cc2ccccc2c(c1CC(C)C)S(=O)(=O)O,"InChI=1/C18H24O3S/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21)",C18H24O3S,,,,,,KBLAMUYRMZPYLS-UHFFFAOYSA-N,,,,,,,,,,,
100.098.170,308-038-2,97861-97-7,2-[[4-[ethyl[2-(trimethylammonio)ethyl]amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium diacetate,"2-[(4-{ethyl[2-(trimethylammonio)ethyl]amino}phenyl)diazenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium diacetate",[O-]C(C)=O.[O-]C(C)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]C(C)=O.[O-]C(C)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C22H31N5OS.2C2H4O2/c1-7-26(14-15-27(3,4)5)18-10-8-17(9-11-18)23-24-22-25(2)20-13-12-19(28-6)16-21(20)29-22;2*1-2(3)4/h8-13,16H,7,14-15H2,1-6H3;2*1H3,(H,3,4)/q+2;;/p-2",C22H31N5OS.2C2H3O2,,,,,,HZPPYPHWOHLKHT-UHFFFAOYSA-L,,,,,,,,,,,
100.094.728,304-247-8,94247-77-5,Allyl dimethylhexanoate,"allyl 2,2-dimethylhexanoate",CCCCC(C)(C)C(=O)OCC=C,CCCCC(C)(C)C(=O)OCC=C,"InChI=1/C11H20O2/c1-5-7-8-11(3,4)10(12)13-9-6-2/h6H,2,5,7-9H2,1,3-4H3",C11H20O2,,,,,,RWRYSHLZUMOHBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.731,304-250-4,94247-80-0,tert-butyl-4-methylanisole,2-tert-butyl-1-methoxy-4-methylbenzene,COc1ccc(C)cc1C(C)(C)C,COc1ccc(C)cc1C(C)(C)C,"InChI=1/C12H18O/c1-9-6-7-11(13-5)10(8-9)12(2,3)4/h6-8H,1-5H3",C12H18O,,,,,,MFUCHEKLRHJSFE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.732,304-252-5,94247-81-1,Sodium tetracosylbenzenesulphonate,sodium 2-tetracosylbenzenesulfonate,[Na+].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C30H54O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;+1/p-1",C30H54O3S.Na,,,,,,MPIBCHJSJHJLRX-UHFFFAOYSA-M,,,,,,,,,,,
100.094.735,304-255-1,94247-84-4,[[(methyldodecyl)oxy]methyl]oxirane,2-{[(1-methyldodecyl)oxy]methyl}oxirane,CCCCCCCCCCCC(C)OCC1CO1,CCCCCCCCCCCC(C)OCC1CO1,"InChI=1/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-15(2)17-13-16-14-18-16/h15-16H,3-14H2,1-2H3",C16H32O2,,,,,,DMNXKBLMZAAHJP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.743,304-264-0,94247-94-6,Octahydropentalenol,octahydropentalen-1-ol,OC1CCC2CCCC12,OC1CCC2CCCC12,"InChI=1/C8H14O/c9-8-5-4-6-2-1-3-7(6)8/h6-9H,1-5H2",C8H14O,,,,,,AOONMBCPMGBOBG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.751,304-272-4,94248-02-9,[methylenebis(oxymethyleneoxy)]bis[ethylbenzene],"1,1'-[methylenebis(oxymethyleneoxy)]bis(2-ethylbenzene)",CCc1ccccc1OCOCOCOc2ccccc2CC,CCc1ccccc1OCOCOCOc2ccccc2CC,"InChI=1/C19H24O4/c1-3-16-9-5-7-11-18(16)22-14-20-13-21-15-23-19-12-8-6-10-17(19)4-2/h5-12H,3-4,13-15H2,1-2H3",C19H24O4,,,,,,VTBHDXAWHDYYGW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.975,285-803-6,85153-24-8,"Sodium 8-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 8-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Nc1cccc2C(=O)c3ccc(cc3C(=O)c12)S(=O)(=O)[O-],[Na+].Nc1cccc2C(=O)c3ccc(cc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C14H9NO5S.Na/c15-11-3-1-2-9-12(11)14(17)10-6-7(21(18,19)20)4-5-8(10)13(9)16;/h1-6H,15H2,(H,18,19,20);/q;+1/p-1",C14H9NO5S.Na,,,,,,XKIMJXDZKINLLY-UHFFFAOYSA-M,,,,,,,,,,,
100.077.976,285-804-1,85153-25-9,"Trisodium 4-amino-3-[[4-[[4-amino-2-hydroxy-5-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-amino-2-hydroxy-5-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)phenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc5cc(N)c(cc5N=Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)N=Nc6ccc(cc6)S([O-])(=O)=O,[Na+].[Na+].[Na+].Oc5cc(N)c(cc5N=Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4)N=Nc6ccc(cc6)S([O-])(=O)=O,"InChI=1/C34H26N10O11S3.3Na/c35-24-16-27(45)26(17-25(24)41-37-22-10-12-23(13-11-22)56(47,48)49)42-38-20-6-8-21(9-7-20)40-43-32-28(57(50,51)52)14-18-15-29(58(53,54)55)33(34(46)30(18)31(32)36)44-39-19-4-2-1-3-5-19;;;/h1-17,45-46H,35-36H2,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3",C34H26N10O11S3.3Na,,,,,,OVPWUKUDHDWEEY-UHFFFAOYSA-K,,,,,,,,,,,
100.077.980,285-808-3,85153-29-3,2-propyl-4-methylhexanal,4-methyl-2-propylhexanal,CCCC(CC(C)CC)C=O,CCCC(CC(C)CC)C=O,"InChI=1/C10H20O/c1-4-6-10(8-11)7-9(3)5-2/h8-10H,4-7H2,1-3H3",C10H20O,,,,,,HQLAVQPOKLGNDL-UHFFFAOYSA-N,,,,,,,,,,,
100.077.982,285-810-4,85153-31-7,(2-hydroxyethyl)dimethyloctylammonium perchlorate,"N-(2-hydroxyethyl)-N,N-dimethyloctan-1-aminium perchlorate",CCCCCCCC[N+](C)(C)CCO.[O-]Cl(=O)(=O)=O,CCCCCCCC[N+](C)(C)CCO.[O-]Cl(=O)(=O)=O,"InChI=1/C12H28NO.ClHO4/c1-4-5-6-7-8-9-10-13(2,3)11-12-14;2-1(3,4)5/h14H,4-12H2,1-3H3;(H,2,3,4,5)/q+1;/p-1",C12H28NO.ClO4,,,,,,CNDQYTXUVRPGMV-UHFFFAOYSA-M,,,,,,,,,,,
100.077.988,285-817-2,85153-37-3,"5,6-dimethyloctan-1-ol","5,6-dimethyloctan-1-ol",CCC(C)C(C)CCCCO,CCC(C)C(C)CCCCO,"InChI=1/C10H22O/c1-4-9(2)10(3)7-5-6-8-11/h9-11H,4-8H2,1-3H3",C10H22O,,,,,,BAJPFLKQVCQWEH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.990,285-819-3,85153-39-5,"6,14-dichloroaceanthryleno[2,1-a]aceanthrylene-5,13-dione","6,14-dichloroaceanthryleno[2,1-a]aceanthrylene-5,13-dione",Clc1ccc2C3=C4c5ccccc5C(=O)c6c(Cl)ccc(C3=C7c8ccccc8C(=O)c1c27)c46,Clc1ccc2C3=C4c5ccccc5C(=O)c6c(Cl)ccc(C3=C7c8ccccc8C(=O)c1c27)c46,InChI=1/C30H12Cl2O2/c31-19-12-10-18-24-22-14-6-2-4-8-16(14)30(34)28-20(32)11-9-17(26(22)28)23(24)21-13-5-1-3-7-15(13)29(33)27(19)25(18)21/h1-12H,C30H12Cl2O2,,,,,,MLJHQWODFQNJMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.811,285-622-2,85117-73-3,"Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate","methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate",COC(=O)C1C(C)C(=C(O)C(=C1O)Cl)Cl,COC(=O)C1C(C)C(=C(O)C(=C1O)Cl)Cl,"InChI=1/C9H10Cl2O4/c1-3-4(9(14)15-2)7(12)6(11)8(13)5(3)10/h3-4,12-13H,1-2H3",C9H10Cl2O4,,,,,,BRUORQOYZCQXEW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.812,285-623-8,85117-74-4,"3-(1,1-dimethylethyl)-5-[[[(4-methylphenyl)sulphonyl]oxy]methyl]oxazolidin-2-one","(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methyl 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)OCC2CN(C(=O)O2)C(C)(C)C,Cc1ccc(cc1)S(=O)(=O)OCC2CN(C(=O)O2)C(C)(C)C,"InChI=1/C15H21NO5S/c1-11-5-7-13(8-6-11)22(18,19)20-10-12-9-16(14(17)21-12)15(2,3)4/h5-8,12H,9-10H2,1-4H3",C15H21NO5S,,,,,,AMLLKTNBWNUPMG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.827,285-640-0,85117-89-1,4-cyclohexylmorpholinium chloride,4-cyclohexylmorpholin-4-ium chloride,[Cl-].C1CCC(CC1)[NH+]2CCOCC2,[Cl-].C1CCC(CC1)[NH+]2CCOCC2,"InChI=1/C10H19NO.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h10H,1-9H2;1H",C10H19NO.ClH,,,,,,GWOOEHDVLTWVQG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.828,285-641-6,85117-90-4,"N,N'-hexane-1,6-diylbis[bis(2-hydroxypropyl)methylammonium] dichloride","N,N'-bis[3-hydroxy-1-(2-hydroxypropyl)butyl]hexane-1,6-diaminium dichloride",[Cl-].[Cl-].CC(O)CC(CC(C)O)[NH2+]CCCCCC[NH2+]C(CC(C)O)CC(C)O,[Cl-].[Cl-].CC(O)CC(CC(C)O)[NH2+]CCCCCC[NH2+]C(CC(C)O)CC(C)O,"InChI=1/C20H44N2O4.2ClH/c1-15(23)11-19(12-16(2)24)21-9-7-5-6-8-10-22-20(13-17(3)25)14-18(4)26;;/h15-26H,5-14H2,1-4H3;2*1H",C20H46N2O4.2Cl,,,,,,HPGOYHHNPWFYMT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.829,285-642-1,85117-91-5,Ethylenebis[bis(2-hydroxypropyl)methylammonium] dichloride,"N,N'-bis[3-hydroxy-1-(2-hydroxypropyl)butyl]ethane-1,2-diaminium dichloride",[Cl-].[Cl-].CC(O)CC(CC(C)O)[NH2+]CC[NH2+]C(CC(C)O)CC(C)O,[Cl-].[Cl-].CC(O)CC(CC(C)O)[NH2+]CC[NH2+]C(CC(C)O)CC(C)O,"InChI=1/C16H36N2O4.2ClH/c1-11(19)7-15(8-12(2)20)17-5-6-18-16(9-13(3)21)10-14(4)22;;/h11-22H,5-10H2,1-4H3;2*1H",C16H38N2O4.2Cl,,,,,,XWQPTEOZUWZQBV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.830,285-643-7,85117-92-6,Ethylenebis[bis(2-hydroxyethyl)methylammonium] dichloride,"N,N'-bis[3-hydroxy-1-(2-hydroxyethyl)propyl]ethane-1,2-diaminium dichloride",[Cl-].[Cl-].OCCC(CCO)[NH2+]CC[NH2+]C(CCO)CCO,[Cl-].[Cl-].OCCC(CCO)[NH2+]CC[NH2+]C(CCO)CCO,"InChI=1/C12H28N2O4.2ClH/c15-7-1-11(2-8-16)13-5-6-14-12(3-9-17)4-10-18;;/h11-18H,1-10H2;2*1H",C12H30N2O4.2Cl,,,,,,AXIMOTZPCOJASK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.104,302-462-1,94109-23-6,"1-[(5,7-dichloro-1,9-dihydro-9-oxo-2-phenylpyrazolo[5,1-b]quinazolin-3-yl)azo]anthraquinone","1-[(5,7-dichloro-9-oxo-2-phenyl-1,9-dihydropyrazolo[5,1-b]quinazolin-3-yl)diazenyl]-9,10-anthraquinone",O=C6c5cccc(N=N\\C3=C(\\NN2C3=N\\c1c(Cl)cc(Cl)cc1C2=O)c4ccccc4)c5C(=O)c7ccccc67,O=C6c5cccc(N=N\C3=C(\NN2C3=N\c1c(Cl)cc(Cl)cc1C2=O)c4ccccc4)c5C(=O)c7ccccc67,"InChI=1/C30H15Cl2N5O3/c31-16-13-20-25(21(32)14-16)33-29-26(24(36-37(29)30(20)40)15-7-2-1-3-8-15)35-34-22-12-6-11-19-23(22)28(39)18-10-5-4-9-17(18)27(19)38/h1-14,36H",C30H15Cl2N5O3,,,,,,KXPOFBJZOCBLSG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.105,302-463-7,94109-24-7,"5-[[4-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile","5-{[4-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]diazenyl}-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",C\\C4=C(/C#N)C(=O)NC(\\O)=C4\\N=Nc3ccc(Cl)cc3c1nc(no1)c2ccccc2,C\C4=C(/C#N)C(=O)NC(\O)=C4\N=Nc3ccc(Cl)cc3c1nc(no1)c2ccccc2,"InChI=1/C21H13ClN6O3/c1-11-15(10-23)19(29)25-20(30)17(11)27-26-16-8-7-13(22)9-14(16)21-24-18(28-31-21)12-5-3-2-4-6-12/h2-9H,1H3,(H2,25,29,30)",C21H13ClN6O3,,,,,,NUAQEANIKUBDAC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.107,302-465-8,94109-26-9,N-(4-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide,N-(4-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide,Clc2cc(OC)c(NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O)cc2,Clc2cc(OC)c(NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O)cc2,"InChI=1/C18H17ClN4O6/c1-10(24)17(18(25)20-13-6-4-11(19)8-15(13)28-2)22-21-14-7-5-12(23(26)27)9-16(14)29-3/h4-9,17H,1-3H3,(H,20,25)",C18H17ClN4O6,,,,,,MHMHZXRIMSWENT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.183,298-149-1,93778-15-5,"2,3-dihydroxypropyl 4-hydroxybenzoate","2,3-dihydroxypropyl 4-hydroxybenzoate",OCC(O)COC(=O)c1ccc(O)cc1,OCC(O)COC(=O)c1ccc(O)cc1,"InChI=1/C10H12O5/c11-5-9(13)6-15-10(14)7-1-3-8(12)4-2-7/h1-4,9,11-13H,5-6H2",C10H12O5,,,,,,BJLWPNKOAQTBGT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.186,298-152-8,93778-18-8,N-[5-(methylsulphonyl)-2-[(2-nitrophenyl)thio]phenyl]formamide,N-{5-(methylsulfonyl)-2-[(2-nitrophenyl)sulfanyl]phenyl}formamide,CS(=O)(=O)c1ccc(Sc2ccccc2[N+](=O)[O-])c(NC=O)c1,CS(=O)(=O)c1ccc(Sc2ccccc2[N+](=O)[O-])c(NC=O)c1,"InChI=1/C14H12N2O5S2/c1-23(20,21)10-6-7-13(11(8-10)15-9-17)22-14-5-3-2-4-12(14)16(18)19/h2-9H,1H3,(H,15,17)",C14H12N2O5S2,,,,,,YTQRRMOEFNDDTC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.187,298-153-3,93778-19-9,5-mesyl-2-[(2-nitrophenyl)thio]aniline,5-(methylsulfonyl)-2-[(2-nitrophenyl)sulfanyl]aniline,CS(=O)(=O)c1ccc(Sc2ccccc2[N+](=O)[O-])c(N)c1,CS(=O)(=O)c1ccc(Sc2ccccc2[N+](=O)[O-])c(N)c1,"InChI=1/C13H12N2O4S2/c1-21(18,19)9-6-7-12(10(14)8-9)20-13-5-3-2-4-11(13)15(16)17/h2-8H,14H2,1H3",C13H12N2O4S2,,,,,,QVTHYCXLXGKSTI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.195,298-162-2,93778-27-9,"2,4-dihydro-5-undecyl-3H-pyrazol-3-one","5-undecyl-2,4-dihydro-3H-pyrazol-3-one",CCCCCCCCCCCC1=NNC(=O)C1,CCCCCCCCCCCC1=NNC(=O)C1,"InChI=1/C14H26N2O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(17)16-15-13/h2-12H2,1H3,(H,16,17)",C14H26N2O,,,,,,YFBPEWHQTCFADX-UHFFFAOYSA-N,,,,,,,,,,,
100.089.200,298-168-5,93778-32-6,Calcium 2-hydroxy-3-methylvalerate,calcium bis(2-hydroxy-3-methylpentanoate),[Ca+2].CCC(C)C(O)C(=O)[O-].CCC(C)C(O)C(=O)[O-],[Ca+2].CCC(C)C(O)C(=O)[O-].CCC(C)C(O)C(=O)[O-],"InChI=1/2C6H12O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4-5,7H,3H2,1-2H3,(H,8,9);/q;;+2/p-2",C6H12O3.1/2Ca,,,,,,LISYOSJUJNUSPU-UHFFFAOYSA-L,,,,,,,,,,,
100.093.108,302-466-3,94109-27-0,"4,4'-[(1,3-dioxodisiloxane-1,3-diyl)diethylene]bis(benzenesulphonic) acid","4,4'-[(1,3-dioxodisiloxane-1,3-diyl)diethane-2,1-diyl]dibenzenesulfonic acid",OS(=O)(=O)c1ccc(CC[Si](=O)O[Si](=O)CCc2ccc(cc2)S(=O)(=O)O)cc1,OS(=O)(=O)c1ccc(CC[Si](=O)O[Si](=O)CCc2ccc(cc2)S(=O)(=O)O)cc1,"InChI=1/C16H18O9S2Si2/c17-26(18,19)15-5-1-13(2-6-15)9-11-28(23)25-29(24)12-10-14-3-7-16(8-4-14)27(20,21)22/h1-8H,9-12H2,(H,17,18,19)(H,20,21,22)",C16H18O9S2Si2,,,,,,SIQYGNVXWINPEU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.114,302-473-1,94109-33-8,"4,4'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-2,7-disulphonic) acid","4-({4-[({4-[(3,6-disulfo-1-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-2,7-disulfonic acid",COc6cc(N=Nc2cc(cc1cc(ccc12)S(O)(=O)=O)S(O)(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc5OC,COc6cc(N=Nc2cc(cc1cc(ccc12)S(O)(=O)=O)S(O)(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3cc(ccc34)S(O)(=O)=O)S(O)(=O)=O)cc5OC,"InChI=1/C37H32N6O15S4/c1-19-9-33(35(57-3)17-29(19)40-42-31-15-25(61(51,52)53)13-21-11-23(59(45,46)47)5-7-27(21)31)38-37(44)39-34-10-20(2)30(18-36(34)58-4)41-43-32-16-26(62(54,55)56)14-22-12-24(60(48,49)50)6-8-28(22)32/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)",C37H32N6O15S4,,,,,,BUGYOHVXIJNUHI-UHFFFAOYSA-N,,,,,,,,,,,
100.089.236,298-207-6,93778-72-4,1-[3-[bicyclo[2.2.1]hept-5-en-2-yl]-3-oxopropyl]piperidinium hydrogen oxalate,1-(3-bicyclo[2.2.1]hept-5-en-2-yl-3-oxopropyl)piperidinium hydrogen oxalate,[O-]C(=O)C(=O)[O-].O=C(CC[NH+]1CCCCC1)C2CC3CC2C=C3,[O-]C(=O)C(=O)[O-].O=C(CC[NH+]1CCCCC1)C2CC3CC2C=C3,"InChI=1/C15H23NO.C2H2O4/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12;3-1(4)2(5)6/h4-5,12-14H,1-3,6-11H2;(H,3,4)(H,5,6)/p-1",C15H23NO.C2H2O4,,,,,,DBNZFHIBCZETBL-UHFFFAOYSA-M,,,,,,,,,,,
100.089.238,298-209-7,93778-74-6,"1-(2-chloroethoxy)-3-(2,3-dibromopropoxy)propan-2-ol","1-(2-chloroethoxy)-3-(2,3-dibromopropoxy)propan-2-ol",OC(COCCCl)COCC(Br)CBr,OC(COCCCl)COCC(Br)CBr,"InChI=1/C8H15Br2ClO3/c9-3-7(10)4-14-6-8(12)5-13-2-1-11/h7-8,12H,1-6H2",C8H15Br2ClO3,,,,,,QHOBDFATZLJVHB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.772,303-195-3,94159-19-0,"Sebacic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)","decanedioic acid - 1,3,5-triazine-2,4,6-triamine (1:2)",Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OC(=O)CCCCCCCCC(=O)O,Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.2C3H6N6/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*4-1-7-2(5)9-3(6)8-1/h1-8H2,(H,11,12)(H,13,14);2*(H6,4,5,6,7,8,9)",C10H18O4.2C3H6N6,,,,,,GNRLRPDUWRTDOE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.779,303-204-0,94159-26-9,3-methoxyphenyl o-acetylsalicylate,3-methoxyphenyl 2-acetoxybenzoate,O=C(C)Oc2ccccc2C(=O)Oc1cccc(OC)c1,O=C(C)Oc2ccccc2C(=O)Oc1cccc(OC)c1,"InChI=1/C16H14O5/c1-11(17)20-15-9-4-3-8-14(15)16(18)21-13-7-5-6-12(10-13)19-2/h3-10H,1-2H3",C16H14O5,,,,,,NEPVYKZQDZUSFC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.781,303-206-1,94159-28-1,Bis[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] malate,bis[2-hydroxy-3-(stearoyloxy)propyl] malate,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC(O)C(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC(O)C(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C46H86O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)54-36-40(47)38-56-45(52)35-42(49)46(53)57-39-41(48)37-55-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-42,47-49H,3-39H2,1-2H3",C46H86O11,,,,,,XRDRHFBPZOXMOL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.785,303-210-3,94159-32-7,2-(4-methylthiazol-5-yl)ethyl hexanoate,"2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate",CCCCCC(=O)OCCc1scnc1C,CCCCCC(=O)OCCc1scnc1C,"InChI=1/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3",C12H19NO2S,,,,,,VJULDCZELAIZHC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.787,303-212-4,94159-34-9,7-(a-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl alpha-D-glucopyranoside,OC[C@H]1O[C@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2",C21H20O10,,,,,,KMOUJOKENFFTPU-RQXATKFSSA-N,,,,,,,,,,,
100.093.790,303-216-6,94159-37-2,"3,5-dibromo-2-hydroxybenzenesulphonic acid","3,5-dibromo-2-hydroxybenzenesulfonic acid",Oc1c(Br)cc(Br)cc1S(=O)(=O)O,Oc1c(Br)cc(Br)cc1S(=O)(=O)O,"InChI=1/C6H4Br2O4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,(H,10,11,12)",C6H4Br2O4S,,,,,,FFWRVGFHKDCZQI-UHFFFAOYSA-N,,,,,,,,,,,
100.094.779,304-303-1,94248-30-3,Hydroxy[(hydroxymethylphenyl)sulphonyl]methylbenzenesulphonic acid,2-(hydroxy{[2-(hydroxymethyl)phenyl]sulfonyl}methyl)benzenesulfonic acid,OCc1ccccc1S(=O)(=O)C(O)c2ccccc2S(=O)(=O)O,OCc1ccccc1S(=O)(=O)C(O)c2ccccc2S(=O)(=O)O,"InChI=1/C14H14O7S2/c15-9-10-5-1-3-7-12(10)22(17,18)14(16)11-6-2-4-8-13(11)23(19,20)21/h1-8,14-16H,9H2,(H,19,20,21)",C14H14O7S2,,,,,,QGWNVORQABNCKV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.797,304-323-0,94248-50-7,"Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene","1,1'-[(1,2-dinitrocyclohexa-3,5-diene-1,2-diyl)bis(oxy)]bis(2,4,6-trinitrobenzene)",[O-][N+](=O)c1cc(c(OC2(C=CC=CC2(Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)c1cc(c(OC2(C=CC=CC2(Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H8N8O18/c27-19(28)9-5-11(21(31)32)15(12(6-9)22(33)34)43-17(25(39)40)3-1-2-4-18(17,26(41)42)44-16-13(23(35)36)7-10(20(29)30)8-14(16)24(37)38/h1-8H",C18H6N8O18,,,,,,RJYFDPUDQBFATJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.801,304-327-2,94248-54-1,"Hydrogen [4-[[4-(dimethylamino)phenyl][4-[ethyl(sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(sulphonatobenzyl)ammonium","hydrogen 2-({[4-([4-(dimethylamino)phenyl]{4-[ethyl(2-sulfonatobenzyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate",[H+].[O-]S(=O)(=O)c5ccccc5CN(CC)c1ccc(cc1)/C(c2ccc(cc2)N(C)C)=C\\3/C=C\\C(/C=C/3)=[N+](Cc4ccccc4S([O-])(=O)=O)CC,[H+].[O-]S(=O)(=O)c5ccccc5CN(CC)c1ccc(cc1)/C(c2ccc(cc2)N(C)C)=C\3/C=C\C(/C=C/3)=[N+](Cc4ccccc4S([O-])(=O)=O)CC,"InChI=1/C39H41N3O6S2.H2/c1-5-41(27-32-11-7-9-13-37(32)49(43,44)45)35-23-17-30(18-24-35)39(29-15-21-34(22-16-29)40(3)4)31-19-25-36(26-20-31)42(6-2)28-33-12-8-10-14-38(33)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);1H/q;+1/p-1",C39H41N3O6S2,,,,,,WMZVCHUUJIMMPH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.802,304-328-8,94248-55-2,D-glucitol tris(bromoacetate),"1,2,3-tris-O-(bromoacetyl)-D-glucitol",OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr,OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr,"InChI=1/C12H17Br3O9/c13-1-8(18)22-5-7(23-9(19)2-14)12(24-10(20)3-15)11(21)6(17)4-16/h6-7,11-12,16-17,21H,1-5H2",C12H17Br3O9,,,,,,MTLASOOFKUSMEC-HBNNVMOKSA-N,,,,,,,,,,,
100.094.803,304-329-3,94248-56-3,D-glucitol pentakis(bromoacetate),"1,2,3,4,5-pentakis-O-(bromoacetyl)-D-glucitol",OC[C@@H](OC(=O)CBr)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr,OC[C@@H](OC(=O)CBr)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr,"InChI=1/C16H19Br5O11/c17-1-10(23)28-7-9(30-12(25)3-19)16(32-14(27)5-21)15(31-13(26)4-20)8(6-22)29-11(24)2-18/h8-9,15-16,22H,1-7H2",C16H19Br5O11,,,,,,HTDFEOMEJJBSFB-PSNKQFAISA-N,,,,,,,,,,,
100.100.123,310-210-7,82608-74-0,"Tetrachlorozincate(2-) of bis[5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium]","bis(5-{[4-(dimethylamino)phenyl]diazenyl}-1,4-dimethyl-4H-1,2,4-triazol-1-ium) tetrachlorozincate(2-)",Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)/N=N/c2[n+](C)ncn2C,Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)/N=N/c2[n+](C)ncn2C,"InChI=1/2C12H17N6.4ClH.Zn/c2*1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;;;;;/h2*5-9H,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C12H17N6.Cl4Zn/c2*1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-5(2,3)4/h2*5-9H,1-4H3;/q2*+1;-2",-,,,,,,VWNXMCXYUDKTGT-UHFFFAOYSA-J,,,,,,,,,,,
100.100.124,310-211-2,85005-80-7,Calcium 4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulfonate,calcium bis[4-({1-[(4-methoxyphenyl)carbamoyl]-2-oxopropyl}diazenyl)-3-nitrobenzenesulfonate],[Ca+2].COc2ccc(NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O)cc2.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c(c2)[N+]([O-])=O,[Ca+2].COc2ccc(NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O)cc2.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c(c2)[N+]([O-])=O,"InChI=1/2C17H16N4O8S.Ca/c2*1-10(22)16(17(23)18-11-3-5-12(29-2)6-4-11)20-19-14-8-7-13(30(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2",C17H16N4O8S.xCa,,,,,,LJZNJAZFGMKGKA-UHFFFAOYSA-L,,,,,,,,,,,
100.095.128,304-687-0,94278-01-0,Dipotassium dihydrogen [(propylimino)bis(methylene)]diphosphonate,dipotassium dihydrogen [(propylimino)bis(methylene)]bis(phosphonate),[K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.2K/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4",C5H15NO6P2.2K,,,,,,DSQJVNOXKFPYOY-UHFFFAOYSA-J,,,,,,,,,,,
100.095.130,304-689-1,94278-03-2,Tetrapotassium [(propylimino)bis(methylene)]diphosphonate,tetrapotassium [(propylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.4K/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4",C5H15NO6P2.4K,,,,,,VQPGDBQRFZFNKO-UHFFFAOYSA-J,,,,,,,,,,,
100.095.134,304-693-3,94278-07-6,2-hexyldecyl oleate,2-hexyldecyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC,"InChI=1/C34H66O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-25-28-31-34(35)36-32-33(29-26-12-9-6-3)30-27-24-14-11-8-5-2/h18-19,33H,4-17,20-32H2,1-3H3",C34H66O2,,,,,,CKGLIVPMTMQFHL-HNENSFHCSA-N,,,,,,,,,,,
100.095.136,304-695-4,94278-09-8,Didocosyl glutarate,didocosyl glutarate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,"InChI=1/C49H96O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46-52-48(50)44-43-45-49(51)53-47-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-47H2,1-2H3",C49H96O4,,,,,,QUDHBLCQVPDDJK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.149,304-710-4,94278-22-5,Sodium hydrogen allylarsonate,sodium hydrogen allylarsonate,[Na+].[O-][As](=O)([O-])CC=C,[Na+].[O-][As](=O)([O-])CC=C,"InChI=1/C3H7AsO3.Na/c1-2-3-4(5,6)7;/h2H,1,3H2,(H2,5,6,7);/q;+1/p-2",C3H7AsO3.Na,,,,,,PCBQATSNTHKKOV-UHFFFAOYSA-L,,,,,,,,,,,
100.095.155,304-717-2,94278-28-1,Cerium tris(2-ethylbutyrate),cerium(3+) tris(2-ethylbutanoate),[Ce+3].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-],[Ce+3].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-],"InChI=1/3C6H12O2.Ce/c3*1-3-5(4-2)6(7)8;/h3*5H,3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3",C6H12O2.1/3Ce,,,,,,ATAWLIKXIGUNBJ-UHFFFAOYSA-K,,,,,,,,,,,
100.095.161,304-724-0,94278-34-9,"Octahydro-a-methyl-4,7-methano-1H-indene-5-propionaldehyde","2-methyl-3-(octahydro-1H-4,7-methanoinden-5-yl)propanal",CC(CC1CC2CC1C3CCCC23)C=O,CC(CC1CC2CC1C3CCCC23)C=O,"InChI=1/C14H22O/c1-9(8-15)5-10-6-11-7-14(10)13-4-2-3-12(11)13/h8-14H,2-7H2,1H3",C14H22O,,,,,,VNKKGPNWAJUTKI-UHFFFAOYSA-N,,,,,,,,,,,
100.095.163,304-726-1,94278-36-1,"7-methoxy-5,7-dimethyloct-2-en-1-ol","7-methoxy-5,7-dimethyloct-2-en-1-ol",COC(C)(C)CC(C)CC=CCO,COC(C)(C)CC(C)CC=CCO,"InChI=1/C11H22O2/c1-10(7-5-6-8-12)9-11(2,3)13-4/h5-6,10,12H,7-9H2,1-4H3",C11H22O2,,,,,,LLIKEAZZEOIJPW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.807,303-234-4,94159-54-3,Sodium 5-amino-o-xylene-3-sulphonate,"sodium 5-amino-2,3-dimethylbenzenesulfonate",[Na+].Cc1cc(N)cc(c1C)S(=O)(=O)[O-],[Na+].Cc1cc(N)cc(c1C)S(=O)(=O)[O-],"InChI=1/C8H11NO3S.Na/c1-5-3-7(9)4-8(6(5)2)13(10,11)12;/h3-4H,9H2,1-2H3,(H,10,11,12);/q;+1/p-1",C8H11NO3S.Na,,,,,,RZPNIEXEVYHEQR-UHFFFAOYSA-M,,,,,,,,,,,
100.093.808,303-236-5,94159-55-4,Sodium 2-cyano-5-ethoxybenzenesulphonate,sodium 2-cyano-5-ethoxybenzenesulfonate,[Na+].CCOc1ccc(C#N)c(c1)S(=O)(=O)[O-],[Na+].CCOc1ccc(C#N)c(c1)S(=O)(=O)[O-],"InChI=1/C9H9NO4S.Na/c1-2-14-8-4-3-7(6-10)9(5-8)15(11,12)13;/h3-5H,2H2,1H3,(H,11,12,13);/q;+1/p-1",C9H9NO4S.Na,,,,,,ROVCHLIPMLVMLL-UHFFFAOYSA-M,,,,,,,,,,,
100.093.810,303-238-6,94159-57-6,Sodium 5-[(4-hydroxyphenyl)amino]-8-(phenylamino)naphthalenesulphonate,sodium 8-anilino-5-[(4-hydroxyphenyl)amino]naphthalene-1-sulfonate,[Na+].Oc1ccc(Nc2ccc(Nc3ccccc3)c4c(cccc24)S(=O)(=O)[O-])cc1,[Na+].Oc1ccc(Nc2ccc(Nc3ccccc3)c4c(cccc24)S(=O)(=O)[O-])cc1,"InChI=1/C22H18N2O4S.Na/c25-17-11-9-16(10-12-17)23-19-13-14-20(24-15-5-2-1-3-6-15)22-18(19)7-4-8-21(22)29(26,27)28;/h1-14,23-25H,(H,26,27,28);/q;+1/p-1",C22H18N2O4S.Na,,,,,,KJGBIIADJHXYGZ-UHFFFAOYSA-M,,,,,,,,,,,
100.093.816,303-244-9,94159-63-4,Sodium hexyl 2-hydroxyethyl phosphate,sodium hexyl 2-hydroxyethyl phosphate,[Na+].OCCOP([O-])(=O)OCCCCCC,[Na+].OCCOP([O-])(=O)OCCCCCC,"InChI=1/C8H19O5P.Na/c1-2-3-4-5-7-12-14(10,11)13-8-6-9;/h9H,2-8H2,1H3,(H,10,11);/q;+1/p-1",C8H19O5P.Na,,,,,,SVQDQKHRKWSOKB-UHFFFAOYSA-M,,,,,,,,,,,
100.093.823,303-252-2,94159-72-5,"2,2-dimethyl-3-[(1-oxoallyl)oxy]propyl(3-sulphonatopropyl)ammonium","3-{[3-(acryloyloxy)-2,2-dimethylpropyl]ammonio}propane-1-sulfonate",CC(C)(C[NH2+]CCCS(=O)(=O)[O-])COC(=O)C=C,CC(C)(C[NH2+]CCCS(=O)(=O)[O-])COC(=O)C=C,"InChI=1/C11H21NO5S/c1-4-10(13)17-9-11(2,3)8-12-6-5-7-18(14,15)16/h4,12H,1,5-9H2,2-3H3,(H,14,15,16)",C13H25NO5S,,,,,,ZWHWRTBPFOKFAG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.831,304-360-2,94248-85-8,Tris(2-hydroxyethyl)-[(octadecyloxy)methyl]ammonium chloride,"2-hydroxy-N,N-bis(2-hydroxyethyl)-N-[(octadecyloxy)methyl]ethanaminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCOC[N+](CCO)(CCO)CCO,[Cl-].CCCCCCCCCCCCCCCCCCOC[N+](CCO)(CCO)CCO,"InChI=1/C25H54NO4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-25-26(18-21-27,19-22-28)20-23-29;/h27-29H,2-25H2,1H3;1H/q+1;/p-1",C25H54NO4.Cl,,,,,,OFYTVXBZSHDWHJ-UHFFFAOYSA-M,,,,,,,,,,,
100.094.835,304-364-4,94248-89-2,(3-chloro-2-hydroxypropyl)dimethyl[3-[[(octadecylamino)carbonyl]amino]propyl]ammonium chloride,"3-chloro-2-hydroxy-N,N-dimethyl-N-{3-[(octadecylcarbamoyl)amino]propyl}propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCCNC(=O)NCCC[N+](C)(C)CC(O)CCl,[Cl-].CCCCCCCCCCCCCCCCCCNC(=O)NCCC[N+](C)(C)CC(O)CCl,"InChI=1/C27H56ClN3O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-27(33)30-22-20-23-31(2,3)25-26(32)24-28;/h26,32H,4-25H2,1-3H3,(H-,29,30,33);1H",C27H57ClN3O2.Cl,,,,,,LABKLUVCGXWNBH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.837,304-367-0,94248-91-6,[2-[[2-(ethylthio)ethyl]thio]ethyl]urea,1-(2-{[2-(ethylsulfanyl)ethyl]sulfanyl}ethyl)urea,CCSCCSCCNC(=O)N,CCSCCSCCNC(=O)N,"InChI=1/C7H16N2OS2/c1-2-11-5-6-12-4-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)",C7H16N2OS2,,,,,,IKZUKWVJEAFQBN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.838,304-368-6,94248-92-7,"Trisodium 4-hydroxy-3-[[4-[(2-hydroxy-7-sulphonato-1-naphthyl)azo]-2,5-dimethoxyphenyl]azo]-8-[(4-sulphonatobenzoyl)amino]naphthalene-2-sulphonate","trisodium 4-hydroxy-3-({4-[(2-hydroxy-7-sulfonato-1-naphthyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl)-8-[(4-sulfonatobenzoyl)amino]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].COc6cc(N=Nc1c2cc(ccc2ccc1O)S([O-])(=O)=O)c(cc6N=Nc5c(cc4c(NC(=O)c3ccc(cc3)S([O-])(=O)=O)cccc4c5O)S([O-])(=O)=O)OC,[Na+].[Na+].[Na+].COc6cc(N=Nc1c2cc(ccc2ccc1O)S([O-])(=O)=O)c(cc6N=Nc5c(cc4c(NC(=O)c3ccc(cc3)S([O-])(=O)=O)cccc4c5O)S([O-])(=O)=O)OC,"InChI=1/C35H27N5O14S3.3Na/c1-53-29-17-27(30(54-2)16-26(29)37-39-32-23-14-21(56(47,48)49)12-6-18(23)9-13-28(32)41)38-40-33-31(57(50,51)52)15-24-22(34(33)42)4-3-5-25(24)36-35(43)19-7-10-20(11-8-19)55(44,45)46;;;/h3-17,41-42H,1-2H3,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3",C35H27N5O14S3.3Na,,,,,,LQDNEQHVPZXQCH-UHFFFAOYSA-K,,,,,,,,,,,
100.094.842,304-372-8,94248-96-1,"N,N'-(5,10,15,16,17,22,23,24-octahydro-5,10,15,17,22,24-hexaoxonaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-1,14-diyl)bis(benzamide)","N,N'-(5,10,15,17,22,24-hexaoxo-5,10,15,16,17,22,23,24-octahydrodinaphtho[2,3-a:2',3'-i]naphtho[2',3':6,7]indolo[2,3-c]carbazole-1,14-diyl)dibenzamide",O=C(NC1=CC2=CC3=CC(=O)C=CC3=CC2=C4N=C5C6=C(C(=O)c7c(NC(=O)c8ccccc8)cccc7C6=O)c9[nH]c%10C%11=C(CC(=O)c%10c9C5=C14)C(=O)c%12ccccc%12C%11=O)c%13ccccc%13,O=C(NC1=CC2=CC3=CC(=O)C=CC3=CC2=C4N=C5C6=C(C(=O)c7c(NC(=O)c8ccccc8)cccc7C6=O)c9[nH]c%10C%11=C(CC(=O)c%10c9C5=C14)C(=O)c%12ccccc%12C%11=O)c%13ccccc%13,"InChI=1/C56H28N4O8/c61-30-19-18-27-22-34-29(20-28(27)21-30)23-37(58-56(68)26-12-5-2-6-13-26)41-43-44-42-38(62)24-35-40(52(64)32-15-8-7-14-31(32)51(35)63)48(42)60-50(44)46-45(49(43)59-47(34)41)53(65)33-16-9-17-36(39(33)54(46)66)57-55(67)25-10-3-1-4-11-25/h1-23,60H,24H2,(H,57,67)(H,58,68)",C56H28N4O8,,,,,,MWJFNGALQOTCDC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.844,304-374-9,94248-98-3,N-[6-[2-(5-nitro-2-furyl)vinyl]pyridazin-3-yl]acetamide monohydrochloride,N-{6-[2-(5-nitro-2-furyl)vinyl]pyridazin-3-yl}acetamide hydrochloride,Cl.CC(=O)Nc1ccc(\\C=C\\c2oc(cc2)[N+](=O)[O-])nn1,Cl.CC(=O)Nc1ccc(\C=C\c2oc(cc2)[N+](=O)[O-])nn1,"InChI=1/C12H10N4O4.ClH/c1-8(17)13-11-6-3-9(14-15-11)2-4-10-5-7-12(20-10)16(18)19;/h2-7H,1H3,(H,13,15,17);1H",C12H10N4O4.ClH,,,,,,NJCILZCTUYOPQD-VEELZWTKSA-N,,,,,,,,,,,
100.094.846,304-377-5,94249-00-0,[2-[(a-o-tolylbenzyl)oxy]ethyl]dimethylammonium hexadecyl sulphate,"N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium hexadecyl sulfate",CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].C[NH+](C)CCOC(c1ccccc1)c2ccccc2C,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].C[NH+](C)CCOC(c1ccccc1)c2ccccc2C,"InChI=1/C18H23NO.C16H34O4S/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h4-12,18H,13-14H2,1-3H3;2-16H2,1H3,(H,17,18,19)",C18H23NO.C16H34O4S,,,,,,YHELGDAPVZOPJE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.847,304-378-0,94249-01-1,"Acetyl dihydrogen phosphate, lithium potassium salt","acetyl dihydrogen phosphate, lithium potassium salt",[Li+].[K+].CC(=O)OP(=O)(O)O,[Li+].[K+].CC(=O)OP(=O)(O)O,"InChI=1/C2H5O5P.K.Li/c1-2(3)7-8(4,5)6;;/h1H3,(H2,4,5,6);;/q;2*+1",C2H5O5P.K.Li,,,,,,RLQMPLKXFIXRCV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.848,304-379-6,94249-02-2,Ethyl 2-[[2-methyl-4-[(o-tolyl)azo]phenyl]azo]-3-oxobutyrate,ethyl 2-({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl)-3-oxobutanoate,CC(=O)C(N=Nc1ccc(cc1C)N=Nc2ccccc2C)C(=O)OCC,CC(=O)C(N=Nc1ccc(cc1C)N=Nc2ccccc2C)C(=O)OCC,"InChI=1/C20H22N4O3/c1-5-27-20(26)19(15(4)25)24-23-18-11-10-16(12-14(18)3)21-22-17-9-7-6-8-13(17)2/h6-12,19H,5H2,1-4H3",C20H22N4O3,,,,,,NWIMPHFBTOXJHN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.753,304-275-0,94248-04-1,(octadecyl)toluene,"1,2,3,4,5-pentakis(decyl)-6-(1,1-didecylundecyl)benzene",CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(c(CCCCCCCCCC)c1CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC,CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(c(CCCCCCCCCC)c1CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC,"InChI=1/C87H168/c1-9-17-25-33-41-49-57-65-73-81-82(74-66-58-50-42-34-26-18-10-2)84(76-68-60-52-44-36-28-20-12-4)86(85(77-69-61-53-45-37-29-21-13-5)83(81)75-67-59-51-43-35-27-19-11-3)87(78-70-62-54-46-38-30-22-14-6,79-71-63-55-47-39-31-23-15-7)80-72-64-56-48-40-32-24-16-8/h9-80H2,1-8H3",C25H44,,,,,,GBSWWMLUSNVWLI-UHFFFAOYSA-N,,,,,,,,,,,
100.094.757,304-279-2,94248-08-5,3-(butoxy-2-hydroxyphenyl)acrylic acid,"3-(6-butoxy-6-hydroxycyclohexa-2,4-dien-1-yl)acrylic acid",CCCCOC1(O)C=CC=CC1\\C=C\\C(=O)O,CCCCOC1(O)C=CC=CC1\C=C\C(=O)O,"InChI=1/C13H18O4/c1-2-3-10-17-13(16)9-5-4-6-11(13)7-8-12(14)15/h4-9,11,16H,2-3,10H2,1H3,(H,14,15)",C13H16O4,,,,,,VNTBTJVSUCNHAP-BQYQJAHWSA-N,,,,,,,,,,,
100.094.759,304-281-3,94248-10-9,"N,N''-(methyl-m-phenylene)bis[N'-benzylurea]","N',N'''-(2-methyl-1,3-phenylene)bis(1-benzylurea)",Cc1c(NC(=O)NCc2ccccc2)cccc1NC(=O)NCc3ccccc3,Cc1c(NC(=O)NCc2ccccc2)cccc1NC(=O)NCc3ccccc3,"InChI=1/C23H24N4O2/c1-17-20(26-22(28)24-15-18-9-4-2-5-10-18)13-8-14-21(17)27-23(29)25-16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H2,24,26,28)(H2,25,27,29)",C23H24N4O2,,,,,,SYAYKVXCNYJZJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.762,304-285-5,94248-13-2,Nonyl valerate,nonyl valerate,CCCCCCCCCOC(=O)CCCC,CCCCCCCCCOC(=O)CCCC,"InChI=1/C14H28O2/c1-3-5-7-8-9-10-11-13-16-14(15)12-6-4-2/h3-13H2,1-2H3",C14H28O2,,,,,,QACHAKPYKAPHJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.769,304-292-3,94248-20-1,Strontium dichlorophthalate,strontium bis[2-(chlorocarbonyl)benzoate],[Sr+2].O=C(Cl)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C(Cl)=O,[Sr+2].O=C(Cl)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C(Cl)=O,"InChI=1/2C8H5ClO3.Sr/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;/h2*1-4H,(H,11,12);/q;;+2/p-2",C8H4Cl2O4.Sr,,,,,,XYWJGXCIKVTMDY-UHFFFAOYSA-L,,,,,,,,,,,
100.098.228,308-103-5,97862-55-0,"Hexanoic acid, 2-ethyl-, 44-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracont-1-yl ester","44-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracont-1-yl 2-ethylhexanoate",CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C38H76O17/c1-3-5-6-37(4-2)38(40)55-36-35-54-34-33-53-32-31-52-30-29-51-28-27-50-26-25-49-24-23-48-22-21-47-20-19-46-18-17-45-16-15-44-14-13-43-12-11-42-10-9-41-8-7-39/h37,39H,3-36H2,1-2H3",-,,,,,,OTPTWIDKFJNKQU-UHFFFAOYSA-N,,,,,,,,,,,
100.100.109,310-195-7,1587-26-4,"cis-2,3-dichlorobut-2-ene","2,3-dichlorobut-2-ene",C\\C(=C(/C)\\Cl)\\Cl,C\C(=C(/C)\Cl)\Cl,InChI=1/C4H6Cl2/c1-3(5)4(2)6/h1-2H3,C4H6Cl2,,,,,,YRCBNVMRRBIDNF-ARJAWSKDSA-N,,,,,,,,,,,
100.100.112,310-198-3,21902-26-1,"6-methyl-2-(4-methylcyclohex-3-enyl)hept-1,5-diene",1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene,CC(=CCCC(=C)C1CCC(=CC1)C)C,CC(=CCCC(=C)C1CCC(=CC1)C)C,"InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3",C15H24,,,,,,XZRVRYFILCSYSP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.752,303-173-3,94158-99-3,2-methylpentadecyl methacrylate,2-methylpentadecyl methacrylate,CCCCCCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C20H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(4)17-22-20(21)18(2)3/h19H,2,5-17H2,1,3-4H3",C20H38O2,,,,,,FZCUCMPAOQMGQG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.761,303-183-8,94159-08-7,1-methyl-4-[(methylphenylhydrazono)methyl]pyridinium sulphate (2:1),bis{1-methyl-4-[methyl(phenyl)carbonohydrazonoyl]pyridinium} sulfate,[O-]S([O-])(=O)=O.C[n+]2ccc(C=NN(C)c1ccccc1)cc2.C[n+]2ccc(C=NN(C)c1ccccc1)cc2,[O-]S([O-])(=O)=O.C[n+]2ccc(C=NN(C)c1ccccc1)cc2.C[n+]2ccc(C=NN(C)c1ccccc1)cc2,"InChI=1/2C14H16N3.H2O4S/c2*1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-5(2,3)4/h2*3-12H,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",C14H16N3.1/2O4S,,,,,,IWDCIWVJLDMNCN-UHFFFAOYSA-L,,,,,,,,,,,
100.093.774,303-197-4,94159-21-4,Isobutyl 2-(4-chloro-2-methylphenoxy)propionate,isobutyl 2-(4-chloro-2-methylphenoxy)propanoate,CC(C)COC(=O)C(C)Oc1ccc(Cl)cc1C,CC(C)COC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C14H19ClO3/c1-9(2)8-17-14(16)11(4)18-13-6-5-12(15)7-10(13)3/h5-7,9,11H,8H2,1-4H3",C14H19ClO3,,,,,,RMPYJRQOSTUDNH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.775,303-199-5,94159-22-5,Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate,cyclohexyl 2-(4-chloro-2-methylphenoxy)propanoate,CC(Oc1ccc(Cl)cc1C)C(=O)OC2CCCCC2,CC(Oc1ccc(Cl)cc1C)C(=O)OC2CCCCC2,"InChI=1/C16H21ClO3/c1-11-10-13(17)8-9-15(11)19-12(2)16(18)20-14-6-4-3-5-7-14/h8-10,12,14H,3-7H2,1-2H3",C16H21ClO3,,,,,,HPBVHSNFPAZXRA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.788,303-214-5,94159-35-0,"2,3-dihydroxypropyl bromoacetate","2,3-dihydroxypropyl bromoacetate",OCC(O)COC(=O)CBr,OCC(O)COC(=O)CBr,"InChI=1/C5H9BrO4/c6-1-5(9)10-3-4(8)2-7/h4,7-8H,1-3H2",C5H9BrO4,,,,,,OBIZXLAEEKEFMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.774,304-298-6,94248-25-6,Calcium methyloctadecylbenzenesulphonate,calcium bis[2-(1-methyloctadecyl)benzenesulfonate],[Ca+2].CCCCCCCCCCCCCCCCCC(C)c1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC(C)c2ccccc2S(=O)(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCC(C)c1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC(C)c2ccccc2S(=O)(=O)[O-],"InChI=1/2C25H44O3S.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(2)24-21-18-19-22-25(24)29(26,27)28;/h2*18-19,21-23H,3-17,20H2,1-2H3,(H,26,27,28);/q;;+2/p-2",C25H44O3S.1/2Ca,,,,,,ZZBHVPHVCDKSLN-UHFFFAOYSA-L,,,,,,,,,,,
100.094.852,304-383-8,94249-07-7,Ammonium 4-[benzylamino]benzenesulphonate,ammonium 4-(benzylamino)benzenesulfonate,[NH4+].[O-]S(=O)(=O)c1ccc(NCc2ccccc2)cc1,[NH4+].[O-]S(=O)(=O)c1ccc(NCc2ccccc2)cc1,"InChI=1/C13H13NO3S.H3N/c15-18(16,17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14H,10H2,(H,15,16,17);1H3",C13H13NO3S.H3N,,,,,,HPDYXWAVGFFSEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.853,304-384-3,94249-09-9,Bis(2-hydroxyethyl)(2-hydroxyoctyl)methylammonium toluene-p-sulphonate,"2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyloctan-1-aminium 4-methylbenzenesulfonate",CCCCCCC(O)C[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCC(O)C[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C13H30NO3.C7H8O3S/c1-3-4-5-6-7-13(17)12-14(2,8-10-15)9-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h13,15-17H,3-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C13H30NO3.C7H7O3S,,,,,,HAGDDOULRGYHOL-UHFFFAOYSA-M,,,,,,,,,,,
100.099.915,309-980-7,101896-21-3,"3,7-bis(2-hydroxyethyl)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)oxy]-4,6-dioxa-3,7-diaza-5-phosphanonane-1,9-diol 5-oxide","3,7-bis(2-hydroxyethyl)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)oxy]-4,6-dioxa-3,7-diaza-5-phosphanonane-1,9-diol 5-oxide",OCCN(CCO)OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ON(CCO)CCO,OCCN(CCO)OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ON(CCO)CCO,"InChI=1/C19H24F19N2O8P/c20-11(21,1-10-46-49(45,47-39(2-6-41)3-7-42)48-40(4-8-43)5-9-44)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h41-44H,1-10H2",C19H24F19N2O8P,,,,,,UQHBROJZQLWASU-UHFFFAOYSA-N,,,,,,,,,,,
100.095.169,304-732-4,94278-42-9,"4-(1,1-dimethylethyl)-a-methylcyclohexene-1-propan-1-al",3-(4-tert-butylcyclohex-1-en-1-yl)-2-methylpropanal,CC(CC1=CCC(CC1)C(C)(C)C)C=O,CC(CC1=CCC(CC1)C(C)(C)C)C=O,"InChI=1/C14H24O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5,10-11,13H,6-9H2,1-4H3",C14H24O,,,,,,PYJZTWHRGJHOLT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.178,304-742-9,94278-98-5,(2-hydroxypropyl)methyldioctadecylammonium chloride,N-(2-hydroxypropyl)-N-methyl-N-octadecyloctadecan-1-aminium chloride,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(C)O,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(C)O,"InChI=1/C40H84NO.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(4,39-40(3)42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h40,42H,5-39H2,1-4H3;1H/q+1;/p-1",C40H84NO.Cl,,,,,,NPBDYRSSBRSZNK-UHFFFAOYSA-M,,,,,,,,,,,
100.095.182,304-747-6,94279-02-4,(o-chlorobenzyl)dimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride,"N-(2-chlorobenzyl)-N,N-dimethyl-3-(tetradecanoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1Cl,[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1Cl,"InChI=1/C26H45ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-20-26(30)28-21-17-22-29(2,3)23-24-18-15-16-19-25(24)27;/h15-16,18-19H,4-14,17,20-23H2,1-3H3;1H",C26H46ClN2O.Cl,,,,,,XWBBYQGVTVRSTE-UHFFFAOYSA-N,,,,,,,,,,,
100.095.187,304-752-3,94279-07-9,"Ethyl a-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate monohydrochloride","ethyl 3-{4-[bis(2-chloroethyl)amino]phenyl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate hydrochloride",Cl.CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)N2C(=O)c3ccccc3C2=O,Cl.CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)N2C(=O)c3ccccc3C2=O,"InChI=1/C23H24Cl2N2O4.ClH/c1-2-31-23(30)20(27-21(28)18-5-3-4-6-19(18)22(27)29)15-16-7-9-17(10-8-16)26(13-11-24)14-12-25;/h3-10,20H,2,11-15H2,1H3;1H",C23H24Cl2N2O4.ClH,,,,,,ZDMKHZBXBXPVCC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.192,304-758-6,94279-12-6,"(1,3-diphenylbutyl)-m-xylene","2-(1,3-diphenylbutyl)-1,3-dimethylbenzene",CC(CC(c1ccccc1)c2c(C)cccc2C)c3ccccc3,CC(CC(c1ccccc1)c2c(C)cccc2C)c3ccccc3,"InChI=1/C24H26/c1-18-11-10-12-19(2)24(18)23(22-15-8-5-9-16-22)17-20(3)21-13-6-4-7-14-21/h4-16,20,23H,17H2,1-3H3",C24H26,,,,,,JMOHOFZVQVOTEN-UHFFFAOYSA-N,,,,,,,,,,,
100.095.200,304-767-5,94279-21-7,2-hydroxyphenyl [3-(triethoxysilyl)propoxy]phenyl ketone,(2-hydroxyphenyl){2-[3-(triethoxysilyl)propoxy]phenyl}methanone,CCO[Si](CCCOc1ccccc1C(=O)c2ccccc2O)(OCC)OCC,CCO[Si](CCCOc1ccccc1C(=O)c2ccccc2O)(OCC)OCC,"InChI=1/C22H30O6Si/c1-4-26-29(27-5-2,28-6-3)17-11-16-25-21-15-10-8-13-19(21)22(24)18-12-7-9-14-20(18)23/h7-10,12-15,23H,4-6,11,16-17H2,1-3H3",C22H30O6Si,,,,,,QOURFRLITHOGFC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.835,303-265-3,94159-84-9,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecane-1,2-diol","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecane-1,2-diol",OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H7F17O2/c12-4(13,1-3(30)2-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29-30H,1-2H2",C11H7F17O2,,,,,,CGRIOEGIXRPCJU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.841,303-272-1,94159-90-7,"4-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]-2,2-dimethyl-1,3-dioxolane","4-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]-2,2-dimethyl-1,3-dioxolane",CC1(C)OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)O1,CC1(C)OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)O1,"InChI=1/C15H11F19O2/c1-6(2)35-4-5(36-6)3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h5H,3-4H2,1-2H3",C15H11F19O2,,,,,,JUINJVGRXCBZQR-UHFFFAOYSA-N,,,,,,,,,,,
100.094.805,304-331-4,94248-58-5,D-glucitol tetrakis(bromoacetate),"1,2,3,4-tetrakis-O-(bromoacetyl)-D-glucitol",OC[C@@H](O)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr,OC[C@@H](O)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr,"InChI=1/C14H18Br4O10/c15-1-9(21)25-6-8(26-10(22)2-16)14(28-12(24)4-18)13(7(20)5-19)27-11(23)3-17/h7-8,13-14,19-20H,1-6H2",C14H18Br4O10,,,,,,HZOMKZKBWQCUDU-QYOFDKIESA-N,,,,,,,,,,,
100.095.125,304-683-9,94277-98-2,Dipotassium dihydrogen [(butylimino)bis(methylene)]bisphosphonate,dipotassium dihydrogen [(butylimino)bis(methylene)]bis(phosphonate),[K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.2K/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;/q;2*+1/p-4",C6H17NO6P2.2K,,,,,,INBSPTQLBUWKTK-UHFFFAOYSA-J,,,,,,,,,,,
100.095.129,304-688-6,94278-02-1,Tripotassium hydrogen [(propylimino)bis(methylene)]diphosphonate,tripotassium hydrogen [(propylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.3K/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4",C5H15NO6P2.3K,,,,,,IMUTXRWXPZMNLJ-UHFFFAOYSA-J,,,,,,,,,,,
100.095.131,304-690-7,94278-04-3,Dipotassium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,dipotassium dihydrogen [(isopropylimino)bis(methylene)]bis(phosphonate),[K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.2K/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4",C5H15NO6P2.2K,,,,,,HTGWSGVGLHXZEK-UHFFFAOYSA-J,,,,,,,,,,,
100.095.132,304-691-2,94278-05-4,Tripotassium hydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,tripotassium hydrogen [(isopropylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.3K/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4",C5H15NO6P2.3K,,,,,,LLZWDMMQGHGJOG-UHFFFAOYSA-J,,,,,,,,,,,
100.095.137,304-697-5,94278-10-1,Dodecyl hydrogen glutarate,5-(dodecyloxy)-5-oxopentanoic acid,CCCCCCCCCCCCOC(=O)CCCC(=O)O,CCCCCCCCCCCCOC(=O)CCCC(=O)O,"InChI=1/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-15-21-17(20)14-12-13-16(18)19/h2-15H2,1H3,(H,18,19)",C17H32O4,,,,,,UKYJMLNALVDWAY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.139,304-699-6,94278-12-3,Docosyl hydrogen glutarate,5-(docosyloxy)-5-oxopentanoic acid,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)O,"InChI=1/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-31-27(30)24-22-23-26(28)29/h2-25H2,1H3,(H,28,29)",C27H52O4,,,,,,CNMJKGUUEVNWNR-UHFFFAOYSA-N,,,,,,,,,,,
100.095.145,304-706-2,94278-18-9,"2,2-bis[[(1-oxooctyl)oxy]methyl]butyl 2-[[[6-[2,2-bis[[(1-oxodecyl)oxy]methyl]butoxy]-1,6-dioxohexyl]oxy]methyl]-2-[[(1-oxooctyl)oxy]methyl]butyladipate",-,CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCC(=O)OCC(CCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC)(C(CCC)COC(=O)CCCCCCC)C(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCC(=O)OCC(CCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC)(C(CCC)COC(=O)CCCCCCC)C(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,"InChI=1/C96H172O22/c1-12-23-30-37-39-46-53-64-87(102)111-71-93(20-9,72-112-88(103)65-54-47-40-38-31-24-13-2)75-113-89(104)66-55-56-67-90(105)117-80-96(81(58-19-8)70-108-82(97)59-48-41-32-25-14-3,92(107)118-79-95(22-11,77-114-85(100)62-51-44-35-28-17-6)78-115-86(101)63-52-45-36-29-18-7)69-57-68-91(106)116-76-94(21-10,73-109-83(98)60-49-42-33-26-15-4)74-110-84(99)61-50-43-34-27-16-5/h81H,12-80H2,1-11H3",C74H132O18,,,,,,DRWMWVZTQNMSIS-UHFFFAOYSA-N,,,,,,,,,,,
100.095.147,304-708-3,94278-20-3,"2,2'-[(2-methylpropylidene)bis(oxymethylene)]bisfuran","2,2'-[(2-methylpropane-1,1-diyl)bis(oxymethylene)]difuran",CC(C)C(OCc1occc1)OCc2occc2,CC(C)C(OCc1occc1)OCc2occc2,"InChI=1/C14H18O4/c1-11(2)14(17-9-12-5-3-7-15-12)18-10-13-6-4-8-16-13/h3-8,11,14H,9-10H2,1-2H3",C14H18O4,,,,,,AAYXEQGKAQUIMA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.148,304-709-9,94278-21-4,4-(butylthio)-4-methylpentan-2-one,4-(butylsulfanyl)-4-methylpentan-2-one,CCCCSC(C)(C)CC(=O)C,CCCCSC(C)(C)CC(=O)C,"InChI=1/C10H20OS/c1-5-6-7-12-10(3,4)8-9(2)11/h5-8H2,1-4H3",C10H20OS,,,,,,GPORBOQNCZHDBJ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.151,304-713-0,94278-24-7,5-[(2-hydroxypropoxy)methyl]furan-2-methanol,1-{[5-(hydroxymethyl)-2-furyl]methoxy}propan-2-ol,CC(O)COCc1oc(CO)cc1,CC(O)COCc1oc(CO)cc1,"InChI=1/C9H14O4/c1-7(11)5-12-6-9-3-2-8(4-10)13-9/h2-3,7,10-11H,4-6H2,1H3",C9H14O4,,,,,,YQMOGPDNNMQUQO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.152,304-714-6,94278-25-8,S-furfuryl 2-methylpropanethioate,S-(2-furylmethyl) 2-methylpropanethioate,CC(C)C(=O)SCc1occc1,CC(C)C(=O)SCc1occc1,"InChI=1/C9H12O2S/c1-7(2)9(10)12-6-8-4-3-5-11-8/h3-5,7H,6H2,1-2H3",C9H12O2S,,,,,,PWPUWIDPJVNGQU-UHFFFAOYSA-N,,,,,,,,,,,
100.095.154,304-716-7,94278-27-0,Ethyl 3-(furfurylthio)propionate,ethyl 3-[(2-furylmethyl)sulfanyl]propanoate,CCOC(=O)CCSCc1occc1,CCOC(=O)CCSCc1occc1,"InChI=1/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3",C10H14O3S,,,,,,ZKCVVCLCYIXCOD-UHFFFAOYSA-N,,,,,,,,,,,
100.077.831,285-644-2,85117-93-7,"N,N'-hexane-1,6-diylbis[bis(2-hydroxyethyl)methylammonium] dichloride","N,N'-bis[3-hydroxy-1-(2-hydroxyethyl)propyl]hexane-1,6-diaminium dichloride",[Cl-].[Cl-].OCCC(CCO)[NH2+]CCCCCC[NH2+]C(CCO)CCO,[Cl-].[Cl-].OCCC(CCO)[NH2+]CCCCCC[NH2+]C(CCO)CCO,"InChI=1/C16H36N2O4.2ClH/c19-11-5-15(6-12-20)17-9-3-1-2-4-10-18-16(7-13-21)8-14-22;;/h15-22H,1-14H2;2*1H",C16H38N2O4.2Cl,,,,,,NHZWYZAJCXADCN-UHFFFAOYSA-N,,,,,,,,,,,
100.077.840,285-654-7,85118-02-1,"2,4-difluorobenzamide","2,4-difluorobenzamide",NC(=O)c1ccc(F)cc1F,NC(=O)c1ccc(F)cc1F,"InChI=1/C7H5F2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)",C7H5F2NO,,,,,,KTXFXDMDYZIXSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.841,285-655-2,85118-03-2,"2,5-difluorobenzamide","2,5-difluorobenzamide",NC(=O)c1cc(F)ccc1F,NC(=O)c1cc(F)ccc1F,"InChI=1/C7H5F2NO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)",C7H5F2NO,,,,,,BJKWHAILFUUIRT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.844,285-658-9,85118-06-5,"2,5-difluorobenzylamine","1-(2,5-difluorophenyl)methanamine",NCc1cc(F)ccc1F,NCc1cc(F)ccc1F,"InChI=1/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2",C7H7F2N,,,,,,GDFBHCMFIUBEQT-UHFFFAOYSA-N,,,,,,,,,,,
100.077.859,285-675-1,85118-22-5,2-bromo-1-[chloro(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene,2-bromo-1-[chloro(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene,Fc1ccc(cc1)C(Cl)c2ccc(cc2Br)C(F)(F)F,Fc1ccc(cc1)C(Cl)c2ccc(cc2Br)C(F)(F)F,"InChI=1/C14H8BrClF4/c15-12-7-9(14(18,19)20)3-6-11(12)13(16)8-1-4-10(17)5-2-8/h1-7,13H",C14H8BrClF4,,,,,,NQCHPKLCVPHTBF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.860,285-676-7,85118-23-6,"trans-4-[3-(4-fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-inden-1-yl]piperazine-1-ethanol dihydrochloride","2-{4-[3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl}ethanol dihydrochloride",Cl.Cl.OCCN1CCN(CC1)C2CC(c3ccc(F)cc3)c4ccc(cc24)C(F)(F)F,Cl.Cl.OCCN1CCN(CC1)C2CC(c3ccc(F)cc3)c4ccc(cc24)C(F)(F)F,"InChI=1/C22H24F4N2O.2ClH/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20;;/h1-6,13,19,21,29H,7-12,14H2;2*1H",C22H24F4N2O.2ClH,,,,,,BUCOJINYCJKMRH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.865,285-681-4,85118-28-1,Ethyl 3-(dimethylamino)butyrate,ethyl 3-(dimethylamino)butanoate,CCOC(=O)CC(C)N(C)C,CCOC(=O)CC(C)N(C)C,"InChI=1/C8H17NO2/c1-5-11-8(10)6-7(2)9(3)4/h7H,5-6H2,1-4H3",C8H17NO2,,,,,,JKSXUJFHXQYFMR-UHFFFAOYSA-N,,,,,,,,,,,
100.078.125,285-968-4,85169-26-2,6-chloro-2-[[4-(dimethylamino)phenyl]imino]-4-methylbenzo[b]thiophene-3(2H)-one,6-chloro-2-{[4-(dimethylamino)phenyl]imino}-4-methyl-1-benzothiophen-3(2H)-one,CN(C)c1ccc(cc1)N=C3Sc2cc(Cl)cc(C)c2C3=O,CN(C)c1ccc(cc1)N=C3Sc2cc(Cl)cc(C)c2C3=O,"InChI=1/C17H15ClN2OS/c1-10-8-11(18)9-14-15(10)16(21)17(22-14)19-12-4-6-13(7-5-12)20(2)3/h4-9H,1-3H3",C17H15ClN2OS,,,,,,WMIXBYOQXRAJMV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.136,285-981-5,85169-38-6,"Ammonium sodium 4,4'-bis[[4-amino-6-anilino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","ammonium sodium 2,2'-ethene-1,2-diylbis{5-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]benzenesulfonate}",[NH4+].[Na+].Nc1nc(Nc2ccccc2)nc(Nc3ccc(\\C=C\\c4ccc(Nc5nc(N)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,[NH4+].[Na+].Nc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(N)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1,"InChI=1/C32H28N12O6S2.H3N.Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);1H3;/q;;+1/p-1",C32H28N12O6S2.xH3N.xNa,,,,,,ZLQVYXZYNQJMIS-YHPRVSEPSA-M,,,,,,,,,,,
100.078.139,285-984-1,85169-42-2,Dimethylbis[2-[(1-oxododecyl)oxy]ethyl]ammonium methyl phosphonate,"2-(dodecanoyloxy)-N-[2-(dodecanoyloxy)ethyl]-N,N-dimethylethanaminium methyl phosphonate",CCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCC.COP(=O)[O-],CCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCC.COP(=O)[O-],"InChI=1/C30H60NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-29(32)34-27-25-31(3,4)26-28-35-30(33)24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h5-28H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1",C30H60NO4.CH4O3P,,,,,,KVNSVZFPQLOXDH-UHFFFAOYSA-M,,,,,,,,,,,
100.078.140,285-985-7,85178-37-6,Methyl 5-thioxo-L-prolinate,methyl 5-thioxo-L-prolinate,COC(=O)[C@@H]1CCC(=S)N1,COC(=O)[C@@H]1CCC(=S)N1,"InChI=1/C6H9NO2S/c1-9-6(8)4-2-3-5(10)7-4/h4H,2-3H2,1H3,(H,7,10)",C6H9NO2S,,,,,,BDNFWMHPTDPFIT-BYPYZUCNSA-N,,,,,,,,,,,
100.080.655,288-752-8,85895-78-9,Potassium (S)-lactate,potassium 2-hydroxypropanoate,[K+].C[C@H](O)C(=O)[O-],[K+].C[C@H](O)C(=O)[O-],"InChI=1/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",C3H6O3.K,,,,,,PHZLMBHDXVLRIX-DKWTVANSSA-M,,,,,,,,,,,
100.080.656,288-753-3,85895-79-0,Sodium 5-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]naphthalene-2-sulphonate,sodium 5-{[(3-amino-4-hydroxyphenyl)sulfonyl]amino}naphthalene-2-sulfonate,[Na+].Nc1cc(ccc1O)S(=O)(=O)Nc2cccc3cc(ccc23)S(=O)(=O)[O-],[Na+].Nc1cc(ccc1O)S(=O)(=O)Nc2cccc3cc(ccc23)S(=O)(=O)[O-],"InChI=1/C16H14N2O6S2.Na/c17-14-9-11(5-7-16(14)19)25(20,21)18-15-3-1-2-10-8-12(26(22,23)24)4-6-13(10)15;/h1-9,18-19H,17H2,(H,22,23,24);/q;+1/p-1",C16H14N2O6S2.Na,,,,,,TUIYHKKMACFQNY-UHFFFAOYSA-M,,,,,,,,,,,
100.089.239,298-210-2,93778-75-7,"1-chloro-3-[3-(2,3-dibromopropoxy)-2-hydroxypropoxy]propan-2-ol","1-chloro-3-[3-(2,3-dibromopropoxy)-2-hydroxypropoxy]propan-2-ol",OC(CCl)COCC(O)COCC(Br)CBr,OC(CCl)COCC(O)COCC(Br)CBr,"InChI=1/C9H17Br2ClO4/c10-1-7(11)3-15-5-9(14)6-16-4-8(13)2-12/h7-9,13-14H,1-6H2",C9H17Br2ClO4,,,,,,CMAHSPOWIVRMTO-UHFFFAOYSA-N,,,,,,,,,,,
100.089.240,298-211-8,93778-76-8,[3-(allyloxy)-2-hydroxypropyl]dimethylammonium acetate,"3-(allyloxy)-2-hydroxy-N,N-dimethylpropan-1-aminium acetate",C[NH+](C)CC(O)COCC=C.CC(=O)[O-],C[NH+](C)CC(O)COCC=C.CC(=O)[O-],"InChI=1/C8H17NO2.C2H4O2/c1-4-5-11-7-8(10)6-9(2)3;1-2(3)4/h4,8,10H,1,5-7H2,2-3H3;1H3,(H,3,4)",C8H17NO2.C2H4O2,,,,,,HNSINBOZELYNOT-UHFFFAOYSA-N,,,,,,,,,,,
100.089.245,298-217-0,93783-11-0,8-(phenylamino)-5-[[4-[(6-sulpho-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonic acid,8-anilino-5-({4-[(6-sulfo-1-naphthyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonic acid,OS(=O)(=O)c1ccc7c(c1)cccc7N=Nc6ccc(N=Nc4ccc(Nc2ccccc2)c3c(cccc34)S(O)(=O)=O)c5ccccc56,OS(=O)(=O)c1ccc7c(c1)cccc7N=Nc6ccc(N=Nc4ccc(Nc2ccccc2)c3c(cccc34)S(O)(=O)=O)c5ccccc56,"InChI=1/C36H25N5O6S2/c42-48(43,44)25-16-17-26-23(22-25)8-6-14-30(26)38-39-31-18-19-32(28-12-5-4-11-27(28)31)40-41-33-20-21-34(37-24-9-2-1-3-10-24)36-29(33)13-7-15-35(36)49(45,46)47/h1-22,37H,(H,42,43,44)(H,45,46,47)",C36H25N5O6S2,,,,,,DVJDKOUANARNLS-UHFFFAOYSA-N,,,,,,,,,,,
100.090.877,300-011-3,93919-26-7,Sodium 4-hydroxy-3-[[2-methoxy-4-(N-methylamino)phenyl]azo]benzenesulphonate,sodium 4-hydroxy-3-{[2-methoxy-4-(methylamino)phenyl]diazenyl}benzenesulfonate,[Na+].COc2cc(ccc2N=Nc1cc(ccc1O)S([O-])(=O)=O)NC,[Na+].COc2cc(ccc2N=Nc1cc(ccc1O)S([O-])(=O)=O)NC,"InChI=1/C14H15N3O5S.Na/c1-15-9-3-5-11(14(7-9)22-2)16-17-12-8-10(23(19,20)21)4-6-13(12)18;/h3-8,15,18H,1-2H3,(H,19,20,21);/q;+1/p-1",C14H15N3O5S.Na,,,,,,HOFWDLYOFPGWCV-UHFFFAOYSA-M,,,,,,,,,,,
100.090.881,300-016-0,93919-30-3,[2-(methacryloyloxy)ethyl]dimethyl[(2-oxoimidazolidin-1-yl)ethyl]ammonium chloride,"N-[2-(methacryloyloxy)ethyl]-N,N-dimethyl-1-(2-oxoimidazolidin-1-yl)ethanaminium chloride",[Cl-].CC(N1CCNC1=O)[N+](C)(C)CCOC(=O)C(=C)C,[Cl-].CC(N1CCNC1=O)[N+](C)(C)CCOC(=O)C(=C)C,"InChI=1/C13H23N3O3.ClH/c1-10(2)12(17)19-9-8-16(4,5)11(3)15-7-6-14-13(15)18;/h11H,1,6-9H2,2-5H3;1H",C13H24N3O3.Cl,,,,,,UKOIWMJTVOMIAG-UHFFFAOYSA-N,,,,,,,,,,,
100.090.885,300-020-2,93919-34-7,4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]-2-[(7-sulpho-2-naphthyl)azo]naphthalenesulphonic acid,4-hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfo-2-naphthyl]carbamoyl}amino)-2-[(7-sulfo-2-naphthyl)diazenyl]naphthalene-1-sulfonic acid,OS(=O)(=O)c1cc2cc(ccc2cc1)N=Nc3cc(O)c4ccc(cc4c3S(O)(=O)=O)NC(=O)Nc5ccc7c(c5)cc(c(N=Nc6ccccc6)c7O)S(O)(=O)=O,OS(=O)(=O)c1cc2cc(ccc2cc1)N=Nc3cc(O)c4ccc(cc4c3S(O)(=O)=O)NC(=O)Nc5ccc7c(c5)cc(c(N=Nc6ccccc6)c7O)S(O)(=O)=O,"InChI=1/C37H26N6O12S3/c44-32-19-31(42-41-26-8-6-20-7-11-27(56(47,48)49)16-21(20)14-26)36(58(53,54)55)30-18-25(10-13-29(30)32)39-37(46)38-24-9-12-28-22(15-24)17-33(57(50,51)52)34(35(28)45)43-40-23-4-2-1-3-5-23/h1-19,44-45H,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)",C37H26N6O12S3,,,,,,LDKLPAISLIHHTB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.628,301-938-6,94087-47-5,4-ethylphenyl butyrate,4-ethylphenyl butyrate,CCCC(=O)Oc1ccc(CC)cc1,CCCC(=O)Oc1ccc(CC)cc1,"InChI=1/C12H16O2/c1-3-5-12(13)14-11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3",C12H16O2,,,,,,LJJIVMPTNVPYMN-UHFFFAOYSA-N,,,,,,,,,,,
100.092.637,301-948-0,94087-56-6,Tetrasodium [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,tetrasodium [(isopropylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.4Na/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4",C5H15NO6P2.4Na,,,,,,RCFQWXPAIFRWGT-UHFFFAOYSA-J,,,,,,,,,,,
100.092.647,301-959-0,94087-66-8,"2-amino-1-butyl-1,5-dihydro-4H-imidazol-4-one","2-amino-1-butyl-1,5-dihydro-4H-imidazol-4-one",CCCCN1CC(=O)N=C1N,CCCCN1CC(=O)N=C1N,"InChI=1/C7H13N3O/c1-2-3-4-10-5-6(11)9-7(10)8/h2-5H2,1H3,(H2,8,9,11)",C7H13N3O,,,,,,HVKAESUVPQRMBV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.649,301-961-1,94087-68-0,"2-amino-1-decyl-1,5-dihydro-4H-imidazol-4-one","2-amino-1-decyl-1,5-dihydro-4H-imidazol-4-one",CCCCCCCCCCN1CC(=O)N=C1N,CCCCCCCCCCN1CC(=O)N=C1N,"InChI=1/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-16-11-12(17)15-13(16)14/h2-11H2,1H3,(H2,14,15,17)",C13H25N3O,,,,,,XBIXIXVLXVOCKH-UHFFFAOYSA-N,,,,,,,,,,,
100.092.653,301-965-3,94087-72-6,"5-hexylpyrimidine-2,4,6-triamine","5-hexylpyrimidine-2,4,6-triamine",CCCCCCc1c(N)nc(N)nc1N,CCCCCCc1c(N)nc(N)nc1N,"InChI=1/C10H19N5/c1-2-3-4-5-6-7-8(11)14-10(13)15-9(7)12/h2-6H2,1H3,(H6,11,12,13,14,15)",C10H19N5,,,,,,RLGBSGOJEYAKKB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.655,301-967-4,94087-74-8,"2-amino-1,5-dihydro-1-octadecyl-4H-imidazol-4-one","2-amino-1-octadecyl-1,5-dihydro-4H-imidazol-4-one",CCCCCCCCCCCCCCCCCCN1CC(=O)N=C1N,CCCCCCCCCCCCCCCCCCN1CC(=O)N=C1N,"InChI=1/C21H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20(25)23-21(24)22/h2-19H2,1H3,(H2,22,23,25)",C21H41N3O,,,,,,BGDNOTJTWDMFQU-UHFFFAOYSA-N,,,,,,,,,,,
100.087.781,296-603-3,92816-23-4,"3-(2,4-dibromophenoxy)-2-hydroxypropyl acrylate","3-(2,4-dibromophenoxy)-2-hydroxypropyl acrylate",OC(COC(=O)C=C)COc1ccc(Br)cc1Br,OC(COC(=O)C=C)COc1ccc(Br)cc1Br,"InChI=1/C12H12Br2O4/c1-2-12(16)18-7-9(15)6-17-11-4-3-8(13)5-10(11)14/h2-5,9,15H,1,6-7H2",C12H12Br2O4,,,,,,VZDQBADMMJDJES-UHFFFAOYSA-N,,,,,,,,,,,
100.093.842,303-273-7,94159-91-8,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-phenoxyundecan-2-ol","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-phenoxyundecan-2-ol",OC(COc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(COc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C17H11F17O2/c18-10(19,6-8(35)7-36-9-4-2-1-3-5-9)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5,8,35H,6-7H2",C17H11F17O2,,,,,,LXBFURBCWJWTTM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.845,303-276-3,94159-94-1,8-amino-1-[(5-chloro-2-hydroxyphenyl)azo]-2-naphthol,8-amino-1-[(5-chloro-2-hydroxyphenyl)diazenyl]-2-naphthol,Oc3ccc(Cl)cc3N=Nc1c2c(N)cccc2ccc1O,Oc3ccc(Cl)cc3N=Nc1c2c(N)cccc2ccc1O,"InChI=1/C16H12ClN3O2/c17-10-5-7-13(21)12(8-10)19-20-16-14(22)6-4-9-2-1-3-11(18)15(9)16/h1-8,21-22H,18H2",C16H12ClN3O2,,,,,,MODDSRRCELJUHE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.854,303-286-8,94160-05-1,"2-Naphthalenesulfonic acid, 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, compd. with 2-(diethylamino)ethanol (1:3)","6-[(2,4-diaminophenyl)diazenyl]-3-[(4-{[4-({7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthyl}diazenyl)phenyl]amino}-3-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid - 2-(diethylamino)ethanol (1:3)",CCN(CC)CCO.CCN(CC)CCO.CCN(CC)CCO.OS(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S(O)(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S(O)(=O)=O,CCN(CC)CCO.CCN(CC)CCO.CCN(CC)CCO.OS(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S(O)(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S(O)(=O)=O,"InChI=1/C44H35N13O11S3.3C6H15NO/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;3*1-3-7(4-2)5-6-8/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);3*8H,3-6H2,1-2H3",C44H35N13O11S3.3C6H15NO,,,,,,HINNBJRGYVLAAP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.858,303-291-5,94160-09-5,4-dodecyl-3-sulphonatobenzenediazonium,5-diazonio-2-dodecylbenzenesulfonate,CCCCCCCCCCCCc1ccc(cc1S(=O)(=O)[O-])[N+]#N,CCCCCCCCCCCCc1ccc(cc1S(=O)(=O)[O-])[N+]#N,"InChI=1/C18H28N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(20-19)15-18(16)24(21,22)23/h13-15H,2-12H2,1H3",C18H28N2O3S,,,,,,UVAVRRTWWLTJOO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.861,303-294-1,94160-12-0,Decyl heptanoate,decyl heptanoate,CCCCCCCCCCOC(=O)CCCCCC,CCCCCCCCCCOC(=O)CCCCCC,"InChI=1/C17H34O2/c1-3-5-7-9-10-11-12-14-16-19-17(18)15-13-8-6-4-2/h3-16H2,1-2H3",C17H34O2,,,,,,IZOUGMYSRZLQHB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.858,304-390-6,94249-16-8,"Cyclooctane-1,2,4-triol","cyclooctane-1,2,4-triol",OC1CCCCC(O)C(O)C1,OC1CCCCC(O)C(O)C1,"InChI=1/C8H16O3/c9-6-3-1-2-4-7(10)8(11)5-6/h6-11H,1-5H2",C8H16O3,,,,,,YVBCGAYPLVHGSK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.859,304-391-1,94249-17-9,"Trisodium 4-hydroxy-5-[[1-oxo-3-(phenylsulphonyl)propyl]amino]-3-[[4-[[1-oxo-3-(phenylsulphonyl)propyl]amino]-2-sulphonatophenyl]azo]naphthalene-2,7-disulphonate","trisodium 4-hydroxy-5-{[3-(phenylsulfonyl)propanoyl]amino}-3-[(4-{[3-(phenylsulfonyl)propanoyl]amino}-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].O=S(=O)(CCC(=O)Nc4ccc(N=Nc3c(cc2cc(cc(NC(=O)CCS(=O)(=O)c1ccccc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O)c5ccccc5,[Na+].[Na+].[Na+].O=S(=O)(CCC(=O)Nc4ccc(N=Nc3c(cc2cc(cc(NC(=O)CCS(=O)(=O)c1ccccc1)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O)c5ccccc5,"InChI=1/C34H30N4O16S5.3Na/c39-30(13-15-55(42,43)23-7-3-1-4-8-23)35-22-11-12-26(28(19-22)58(49,50)51)37-38-33-29(59(52,53)54)18-21-17-25(57(46,47)48)20-27(32(21)34(33)41)36-31(40)14-16-56(44,45)24-9-5-2-6-10-24;;;/h1-12,17-20,41H,13-16H2,(H,35,39)(H,36,40)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C34H30N4O16S5.3Na,,,,,,YHNAOWQQZRUAAJ-UHFFFAOYSA-K,,,,,,,,,,,
100.094.865,304-397-4,94265-93-7,"Icosyl hydrogen sulphate, compound with 2,2'-iminodiethanol (1:1)","icosyl hydrogen sulfate - 2,2'-iminodiethanol (1:1)",CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.OCCNCCO,CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.OCCNCCO,"InChI=1/C20H42O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;6-3-1-5-2-4-7/h2-20H2,1H3,(H,21,22,23);5-7H,1-4H2",C20H42O4S.C4H11NO2,,,,,,SJRJJGIFVVBRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.866,304-399-5,94265-94-8,(2-hydroxyethyl)methylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium hydrogen sulphate,"2-hydroxy-N-methyl-N,N-bis[2-(stearoyloxy)ethyl]ethanaminium hydrogen sulfate",CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-],"InChI=1/C43H86NO5.H2O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5(2,3)4/h45H,4-41H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2",C43H86NO5.1/2O4S,,,,,,YIFPHAOKONIWAE-UHFFFAOYSA-L,,,,,,,,,,,
100.095.158,304-720-9,94278-31-6,Tetrahydro-3-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan,3-[(4-isopropylcyclohex-1-en-1-yl)methyl]tetrahydrofuran,CC(C)C1CCC(=CC1)CC2CCOC2,CC(C)C1CCC(=CC1)CC2CCOC2,"InChI=1/C14H24O/c1-11(2)14-5-3-12(4-6-14)9-13-7-8-15-10-13/h3,11,13-14H,4-10H2,1-2H3",C14H24O,,,,,,YRNDMIZMABKVBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.160,304-723-5,94278-33-8,Hexahydro-6a-pentyl-2H-cyclopenta[b]furan,6a-pentylhexahydro-2H-cyclopenta[b]furan,CCCCCC12CCCC1CCO2,CCCCCC12CCCC1CCO2,"InChI=1/C12H22O/c1-2-3-4-8-12-9-5-6-11(12)7-10-13-12/h11H,2-10H2,1H3",C12H22O,,,,,,MKNDEHITWQEWCT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.164,304-727-7,94278-37-2,"Octahydro-8-methoxy-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene","8-methoxy-1,1,5,5-tetramethyloctahydro-2H-2,4a-methanonaphthalene",COC1CCC(C)(C)C23CCC(C2)C(C)(C)C13,COC1CCC(C)(C)C23CCC(C2)C(C)(C)C13,"InChI=1/C16H28O/c1-14(2)8-7-12(17-5)13-15(3,4)11-6-9-16(13,14)10-11/h11-13H,6-10H2,1-5H3",C16H28O,,,,,,CAASAEIMOLBQBR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.794,303-220-8,94159-41-8,"Bis(3,5-dibromo-4-hydroxyphenyl)acetic acid","bis(3,5-dibromo-4-hydroxyphenyl)acetic acid",OC(=O)C(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,OC(=O)C(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,"InChI=1/C14H8Br4O4/c15-7-1-5(2-8(16)12(7)19)11(14(21)22)6-3-9(17)13(20)10(18)4-6/h1-4,11,19-20H,(H,21,22)",C14H8Br4O4,,,,,,FVYXZKBOFHWUDL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.802,303-229-7,94159-49-6,Disodium 6-amino-5-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate,disodium 6-amino-5-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate,[Na+].[Na+].Cc3cc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c(cc3Cl)S([O-])(=O)=O,[Na+].[Na+].Cc3cc(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)c(cc3Cl)S([O-])(=O)=O,"InChI=1/C17H14ClN3O7S2.2Na/c1-8-4-13(15(7-11(8)18)30(26,27)28)20-21-17-12(19)3-2-9-5-10(29(23,24)25)6-14(22)16(9)17;;/h2-7,22H,19H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",C17H14ClN3O7S2.2Na,,,,,,NFIIQFKPWXHXDI-UHFFFAOYSA-L,,,,,,,,,,,
100.093.804,303-231-8,94159-51-0,"Trisodium 4-amino-3-[[4-[[4-[[4-[[2-(diethylamino)ethyl]amino]-2-hydroxyphenyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(4-{[2-(diethylamino)ethyl]amino}-2-hydroxyphenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6cc(ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)NCCN(CC)CC,[Na+].[Na+].[Na+].Oc6cc(ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)NCCN(CC)CC,"InChI=1/C40H40N10O11S3.3Na/c1-3-50(4-2)19-18-42-28-14-16-30(32(51)22-28)47-44-27-12-10-25(11-13-27)43-31-17-15-29(23-33(31)62(53,54)55)46-48-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)41)49-45-26-8-6-5-7-9-26;;;/h5-17,20-23,42-43,51-52H,3-4,18-19,41H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3",C40H40N10O11S3.3Na,,,,,,PJWATHPLRKHAFL-UHFFFAOYSA-K,,,,,,,,,,,
100.093.805,303-232-3,94159-52-1,"Trisodium 4-amino-3-[[4-[[4-[[2-amino-4-[[2-(diethylamino)ethyl]amino]phenyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(2-amino-4-{[2-(diethylamino)ethyl]amino}phenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].CCN(CC)CCNc6ccc(N=Nc1ccc(cc1)Nc2ccc(cc2S([O-])(=O)=O)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)c6,[Na+].[Na+].[Na+].CCN(CC)CCNc6ccc(N=Nc1ccc(cc1)Nc2ccc(cc2S([O-])(=O)=O)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c(N)c6,"InChI=1/C40H41N11O10S3.3Na/c1-3-51(4-2)19-18-43-28-14-16-31(30(41)22-28)48-45-27-12-10-25(11-13-27)44-32-17-15-29(23-33(32)62(53,54)55)47-49-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)42)50-46-26-8-6-5-7-9-26;;;/h5-17,20-23,43-44,52H,3-4,18-19,41-42H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3",C40H41N11O10S3.3Na,,,,,,RZFNZMZCBYUAEG-UHFFFAOYSA-K,,,,,,,,,,,
100.093.806,303-233-9,94159-53-2,"Disodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate","disodium 4-amino-3-({4'-[(2-amino-4-hydroxyphenyl)diazenyl]-3,3'-dimethylbiphenyl-4-yl}diazenyl)-5-hydroxy-6-[(4-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].COc6ccc(N=Nc5c(cc4cc(c(N=Nc1ccc(cc1C)c3ccc(N=Nc2ccc(O)cc2N)c(C)c3)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)cc6,[Na+].[Na+].COc6ccc(N=Nc5c(cc4cc(c(N=Nc1ccc(cc1C)c3ccc(N=Nc2ccc(O)cc2N)c(C)c3)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)cc6,"InChI=1/C37H32N8O9S2.2Na/c1-19-14-21(4-11-28(19)41-43-30-13-8-25(46)18-27(30)38)22-5-12-29(20(2)15-22)42-44-35-31(55(48,49)50)16-23-17-32(56(51,52)53)36(37(47)33(23)34(35)39)45-40-24-6-9-26(54-3)10-7-24;;/h4-18,46-47H,38-39H2,1-3H3,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C37H32N8O9S2.2Na,,,,,,ZUHXKNDYAQOEOH-UHFFFAOYSA-L,,,,,,,,,,,
100.080.659,288-757-5,85895-82-5,"(1,2,3-trimethylbut-3-enyl)benzene","(1,2,3-trimethylbut-3-en-1-yl)benzene",CC(C(C)c1ccccc1)C(=C)C,CC(C(C)c1ccccc1)C(=C)C,"InChI=1/C13H18/c1-10(2)11(3)12(4)13-8-6-5-7-9-13/h5-9,11-12H,1H2,2-4H3",C13H18,,,,,,ZFZCDJRTJOBZBK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.660,288-758-0,85895-83-6,"3,5-dimethylthiophene-2-carbaldehyde","3,5-dimethylthiophene-2-carbaldehyde",Cc1cc(C)c(C=O)s1,Cc1cc(C)c(C=O)s1,"InChI=1/C7H8OS/c1-5-3-6(2)9-7(5)4-8/h3-4H,1-2H3",C7H8OS,,,,,,NQWNJWZLWMCDOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.661,288-759-6,85895-84-7,"Trisodium 5-[[[6-[(2-chloroethyl)sulphonyl]bicyclo[2.2.1]hept-2-yl]carbonyl]amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate","trisodium 5-[({6-[(2-chloroethyl)sulfonyl]bicyclo[2.2.1]hept-2-yl}carbonyl)amino]-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].O=S(=O)(CCCl)C2CC1CC(C2C1)C(=O)Nc6cc(cc5cc(c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].O=S(=O)(CCCl)C2CC1CC(C2C1)C(=O)Nc6cc(cc5cc(c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C30H28ClN3O13S4.3Na/c31-7-8-48(37,38)24-11-15-9-20(24)21(10-15)30(36)32-23-14-18(49(39,40)41)12-17-13-25(50(42,43)44)27(28(35)26(17)23)34-33-22-6-5-16-3-1-2-4-19(16)29(22)51(45,46)47;;;/h1-6,12-15,20-21,24,35H,7-11H2,(H,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C30H28ClN3O13S4.3Na,,,,,,AZIQXBPCSNEHHL-UHFFFAOYSA-K,,,,,,,,,,,
100.080.664,288-762-2,85895-87-0,"Sodium 1-(2-chloroanilino)-9-hydroxy-2-methylnaphth[1,2-d]imidazole-7-sulphonate","sodium 1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-1H-naphtho[1,2-d]imidazole-7-sulfonate",[Na+].Cc1nc2ccc3cc(cc(O)c3c2n1Nc4ccccc4Cl)S(=O)(=O)[O-],[Na+].Cc1nc2ccc3cc(cc(O)c3c2n1Nc4ccccc4Cl)S(=O)(=O)[O-],"InChI=1/C18H14ClN3O4S.Na/c1-10-20-15-7-6-11-8-12(27(24,25)26)9-16(23)17(11)18(15)22(10)21-14-5-3-2-4-13(14)19;/h2-9,21,23H,1H3,(H,24,25,26);/q;+1/p-1",C18H14ClN3O4S.Na,,,,,,LKUASWNIWNQMLR-UHFFFAOYSA-M,,,,,,,,,,,
100.080.666,288-764-3,85895-89-2,"3-[(4-amino-2,5-dimethoxyphenyl)azo]-4-hydroxybenzenesulphonic acid","3-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid",COc2cc(N)c(cc2N=Nc1cc(ccc1O)S(O)(=O)=O)OC,COc2cc(N)c(cc2N=Nc1cc(ccc1O)S(O)(=O)=O)OC,"InChI=1/C14H15N3O6S/c1-22-13-7-11(14(23-2)6-9(13)15)17-16-10-5-8(24(19,20)21)3-4-12(10)18/h3-7,18H,15H2,1-2H3,(H,19,20,21)",C14H15N3O6S,,,,,,VASPCVYVNSSNGS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.671,288-770-6,85895-94-9,6-amino-5-[[4-(2-phenylvinyl)-3-sulphophenyl]azo]naphthalene-2-sulphonic acid,6-amino-5-{[4-(2-phenylvinyl)-3-sulfophenyl]diazenyl}naphthalene-2-sulfonic acid,OS(=O)(=O)c2cc(ccc2/C=C/c1ccccc1)N=Nc3c4ccc(cc4ccc3N)S(O)(=O)=O,OS(=O)(=O)c2cc(ccc2/C=C/c1ccccc1)N=Nc3c4ccc(cc4ccc3N)S(O)(=O)=O,"InChI=1/C24H19N3O6S2/c25-22-13-9-18-14-20(34(28,29)30)11-12-21(18)24(22)27-26-19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16/h1-15H,25H2,(H,28,29,30)(H,31,32,33)",C24H19N3O6S2,,,,,,HQZBUELDFBBVSZ-RAHMGYBWSA-N,,,,,,,,,,,
100.080.672,288-771-1,85895-95-0,Disodium 6-amino-5-[[4-(2-phenylvinyl)-3-sulphonatophenyl]azo]naphthalene-2-sulphonate,disodium 6-amino-5-{[4-(2-phenylvinyl)-3-sulfonatophenyl]diazenyl}naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c2cc(ccc2/C=C/c1ccccc1)N=Nc3c4ccc(cc4ccc3N)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c2cc(ccc2/C=C/c1ccccc1)N=Nc3c4ccc(cc4ccc3N)S([O-])(=O)=O,"InChI=1/C24H19N3O6S2.2Na/c25-22-13-9-18-14-20(34(28,29)30)11-12-21(18)24(22)27-26-19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16;;/h1-15H,25H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C24H19N3O6S2.2Na,,,,,,NKGTZKMQFBLVBM-DEOAOTEFSA-L,,,,,,,,,,,
100.080.673,288-772-7,85895-96-1,"3-[[1-[4-[(4-amino-3-methylbenzoyl)amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-chloro-4-hydroxybenzenesulphonic acid","3-[(1-{4-[(4-amino-3-methylbenzoyl)amino]phenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-chloro-4-hydroxybenzenesulfonic acid",Nc1ccc(cc1C)C(=O)Nc2ccc(cc2)N4/N=C(/C)C(N=Nc3cc(cc(Cl)c3O)S(O)(=O)=O)C4=O,Nc1ccc(cc1C)C(=O)Nc2ccc(cc2)N4/N=C(/C)C(N=Nc3cc(cc(Cl)c3O)S(O)(=O)=O)C4=O,"InChI=1/C24H21ClN6O6S/c1-12-9-14(3-8-19(12)26)23(33)27-15-4-6-16(7-5-15)31-24(34)21(13(2)30-31)29-28-20-11-17(38(35,36)37)10-18(25)22(20)32/h3-11,21,32H,26H2,1-2H3,(H,27,33)(H,35,36,37)",C24H21ClN6O6S,,,,,,OFGPRXSOMRKYQS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.167,286-015-5,85186-30-7,"D-Glucitol, glycidyl ether","2,2'-[oxybis(methylene)]dioxirane - D-glucitol (1:1)",OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.C(OCC1CO1)C2CO2,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.C(OCC1CO1)C2CO2,"InChI=1/C6H14O6.C6H10O3/c7-1-3(9)5(11)6(12)4(10)2-8;1(5-3-8-5)7-2-6-4-9-6/h3-12H,1-2H2;5-6H,1-4H2",-,,,,,,PABFMZSAIQEXHP-VFQQELCFSA-N,,,,,,,,,,,
100.080.679,288-779-5,85896-02-2,"Disodium 5-hydroxy-4-[[(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulphonate","disodium 5-hydroxy-4-{[(3-nitrophenoxy)acetyl]amino}naphthalene-1,7-disulfonate",[Na+].[Na+].Oc1cc(cc2c(ccc(NC(=O)COc3cccc(c3)[N+](=O)[O-])c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2c(ccc(NC(=O)COc3cccc(c3)[N+](=O)[O-])c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C18H14N2O11S2.2Na/c21-15-8-12(32(25,26)27)7-13-16(33(28,29)30)5-4-14(18(13)15)19-17(22)9-31-11-3-1-2-10(6-11)20(23)24;;/h1-8,21H,9H2,(H,19,22)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C18H14N2O11S2.2Na,,,,,,IKSPXCJNRVJVQE-UHFFFAOYSA-L,,,,,,,,,,,
100.080.680,288-780-0,85896-03-3,Phenyl 2-methyl-5-nitrobenzenesulphonate,phenyl 2-methyl-5-nitrobenzenesulfonate,Cc1ccc(cc1S(=O)(=O)Oc2ccccc2)[N+](=O)[O-],Cc1ccc(cc1S(=O)(=O)Oc2ccccc2)[N+](=O)[O-],"InChI=1/C13H11NO5S/c1-10-7-8-11(14(15)16)9-13(10)20(17,18)19-12-5-3-2-4-6-12/h2-9H,1H3",C13H11NO5S,,,,,,DUEHZNNBLUTVHR-UHFFFAOYSA-N,,,,,,,,,,,
100.087.782,296-604-9,92832-37-6,Methyl 3-chloro-4-[2-[4-(methoxycarbonyl)phenoxy]ethoxy]benzoate,methyl 3-chloro-4-{2-[4-(methoxycarbonyl)phenoxy]ethoxy}benzoate,COC(=O)c1ccc(OCCOc2ccc(cc2Cl)C(=O)OC)cc1,COC(=O)c1ccc(OCCOc2ccc(cc2Cl)C(=O)OC)cc1,"InChI=1/C18H17ClO6/c1-22-17(20)12-3-6-14(7-4-12)24-9-10-25-16-8-5-13(11-15(16)19)18(21)23-2/h3-8,11H,9-10H2,1-2H3",C18H17ClO6,,,,,,RBTPNQHMKIAYMR-UHFFFAOYSA-N,,,,,,,,,,,
100.087.783,296-605-4,92836-85-6,Disodium dihydrogen [(tetradecylimino)bis(methylene)]diphosphonate,disodium dihydrogen [(tetradecylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;/q;2*+1/p-4",C16H37NO6P2.2Na,,,,,,PGFAFMZVUNYIPW-UHFFFAOYSA-J,,,,,,,,,,,
100.087.784,296-607-5,92851-98-4,2-propyl-10H-phenothiazine,2-propyl-10H-phenothiazine,CCCc1ccc2Sc3ccccc3Nc2c1,CCCc1ccc2Sc3ccccc3Nc2c1,"InChI=1/C15H15NS/c1-2-5-11-8-9-15-13(10-11)16-12-6-3-4-7-14(12)17-15/h3-4,6-10,16H,2,5H2,1H3",C15H15NS,,,,,,ZDVDHZUTWCNCHL-UHFFFAOYSA-N,,,,,,,,,,,
100.087.809,296-634-2,92884-33-8,2-(2-chlorophenyl)-2-methoxy-1-oxaspiro[2.4]heptane,2-(2-chlorophenyl)-2-methoxy-1-oxaspiro[2.4]heptane,COC1(OC12CCCC2)c3ccccc3Cl,COC1(OC12CCCC2)c3ccccc3Cl,"InChI=1/C13H15ClO2/c1-15-13(10-6-2-3-7-11(10)14)12(16-13)8-4-5-9-12/h2-3,6-7H,4-5,8-9H2,1H3",C13H15ClO2,,,,,,PHPVXUNJYVSFDL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.901,300-038-0,93919-54-1,"Ethyl 3-[2-(2-chloro-4,6-dimethylphenyl)hydrazino]-3-iminopropionate","ethyl 3-[2-(2-chloro-4,6-dimethylphenyl)hydrazino]-3-iminopropanoate",CCOC(=O)CC(=N)NNc1c(C)cc(C)cc1Cl,CCOC(=O)CC(=N)NNc1c(C)cc(C)cc1Cl,"InChI=1/C13H18ClN3O2/c1-4-19-12(18)7-11(15)16-17-13-9(3)5-8(2)6-10(13)14/h5-6,17H,4,7H2,1-3H3,(H2,15,16)",C13H18ClN3O2,,,,,,RCSJIAGFASMAKI-UHFFFAOYSA-N,,,,,,,,,,,
100.090.916,300-054-8,93919-71-2,"Hexaammonium tetrahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",hexaammonium tetrahydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.6H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);6*1H3/p-4",C9H28N3O15P5.6H3N,,,,,,OGXFLDLTYOMHDI-UHFFFAOYSA-J,,,,,,,,,,,
100.090.917,300-055-3,93919-72-3,"Heptaammonium trihydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate",heptaammonium trihydrogen [(bis{2-[bis(phosphonatomethyl)amino]ethyl}amino)methyl]phosphonate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H28N3O15P5.7H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);7*1H3/p-3",C9H28N3O15P5.7H3N,,,,,,YTUFNKYFUBDOKK-UHFFFAOYSA-K,,,,,,,,,,,
100.090.921,300-060-0,93919-76-7,"Heptasodium pentahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","heptasodium pentahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.7Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;/q;7*+1/p-12",C12H36N4O18P6.7Na,,,,,,MUNVYTQIFGXKHW-UHFFFAOYSA-B,,,,,,,,,,,
100.090.922,300-061-6,93919-77-8,"Octasodium tetrahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","octasodium tetrahydrogen [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.8Na/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;/q;8*+1/p-12",C12H36N4O18P6.8Na,,,,,,RYJABAHAKMPYSP-UHFFFAOYSA-B,,,,,,,,,,,
100.094.874,304-408-2,94266-02-1,"Dipotassium p-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","dipotassium 4-(5-hydroxy-3-methyl-4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1H-pyrazol-1-yl)benzenesulfonate",[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O,[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O,"InChI=1/C21H18N4O8S2.2K/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33;;/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",C21H18N4O8S2.2K,,,,,,VNXBSBGKQQLIQH-UHFFFAOYSA-L,,,,,,,,,,,
100.099.761,309-809-6,101033-42-5,"6,15-dihydroanthrazine-5,9,14,18-tetrol","6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrol",Oc1c2ccccc2c(O)c3c4Nc5ccc6c(O)c7ccccc7c(O)c6c5Nc4ccc13,Oc1c2ccccc2c(O)c3c4Nc5ccc6c(O)c7ccccc7c(O)c6c5Nc4ccc13,"InChI=1/C28H18N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-34H",C28H18N2O4,,,,,,JAVBSDHJVCQIGG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.870,303-303-9,94160-21-1,Bis(2-hydroxypropyl)methyloctadecylammonium bromide,"N,N-bis(2-hydroxypropyl)-N-methyloctadecan-1-aminium bromide",[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(CC(C)O)CC(C)O,[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(CC(C)O)CC(C)O,"InChI=1/C25H54NO2.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(4,22-24(2)27)23-25(3)28;/h24-25,27-28H,5-23H2,1-4H3;1H/q+1;/p-1",C25H54NO2.Br,,,,,,KMUHMZLSPVOJTD-UHFFFAOYSA-M,,,,,,,,,,,
100.093.871,303-304-4,94160-22-2,4-methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride,4-methyl-4-[3-(stearoylamino)propyl]morpholin-4-ium chloride,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+]1(C)CCOCC1,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+]1(C)CCOCC1,"InChI=1/C26H52N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26(29)27-20-18-21-28(2)22-24-30-25-23-28;/h3-25H2,1-2H3;1H",C26H53N2O2.Cl,,,,,,RLADJYGFPZJJEG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.874,303-308-6,94160-25-5,Ethyl 3-hydroxycyclohexanecarboxylate,ethyl 3-hydroxycyclohexanecarboxylate,CCOC(=O)C1CCCC(O)C1,CCOC(=O)C1CCCC(O)C1,"InChI=1/C9H16O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7-8,10H,2-6H2,1H3",C9H16O3,,,,,,BGAOLPQGOBDXBH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.010,303-457-7,94199-82-3,Trisodium hydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,trisodium hydrogen [(isopropylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.3Na/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4",C5H15NO6P2.3Na,,,,,,JHPKDRCBFFEFES-UHFFFAOYSA-J,,,,,,,,,,,
100.094.011,303-458-2,94199-83-4,"1-benzyl-3-carboxypyridinium chloride, compound with 2,2',2''-nitrilotriethanol (1:1)","1-benzyl-3-carboxypyridinium chloride - 2,2',2''-nitrilotriethanol (1:1)",[Cl-].OCCN(CCO)CCO.OC(=O)c1ccc[n+](Cc2ccccc2)c1,[Cl-].OCCN(CCO)CCO.OC(=O)c1ccc[n+](Cc2ccccc2)c1,"InChI=1/C13H11NO2.C6H15NO3.ClH/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;8-4-1-7(2-5-9)3-6-10;/h1-8,10H,9H2;8-10H,1-6H2;1H",C13H12NO2.C6H15NO3.Cl,,,,,,OHJHAXVQIIDOHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.012,303-459-8,94199-84-5,"Oleic acid, compound with N-octadec-9-enylpropane-1,3-diamine (2:1)","octadec-9-enoic acid - N-octadec-9-en-1-ylpropane-1,3-diamine (2:1)",CCCCCCCCC=CCCCCCCCCNCCCN.CCCCCCCC\\C=C/CCCCCCCC(O)=O.OC(=O)CCCCCCC/C=C\\CCCCCCCC,CCCCCCCCC=CCCCCCCCCNCCCN.CCCCCCCC\C=C/CCCCCCCC(O)=O.OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1/C21H44N2.2C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;2*9-10H,2-8,11-17H2,1H3,(H,19,20)",C21H44N2.2C18H34O2,,,,,,VTXWSJAEIWTHCL-QHZLVCOXSA-N,,,,,,,,,,,
100.094.013,303-460-3,94199-85-6,"D-glucitol 1,5-bis(bromoacetate)","1,5-bis-O-(bromoacetyl)-D-glucitol",OC[C@@H](OC(=O)CBr)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CBr,OC[C@@H](OC(=O)CBr)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CBr,"InChI=1/C10H16Br2O8/c11-1-7(15)19-4-5(14)9(17)10(18)6(3-13)20-8(16)2-12/h5-6,9-10,13-14,17-18H,1-4H2",C10H16Br2O8,,,,,,IBSHJWOQTULFBH-NAXOPYRSSA-N,,,,,,,,,,,
100.094.014,303-461-9,94199-86-7,"D-glucitol 1,4-bis(bromoacetate)","1,4-bis-O-(bromoacetyl)-D-glucitol",OC[C@@H](O)[C@@H](OC(=O)CBr)[C@H](O)[C@@H](O)COC(=O)CBr,OC[C@@H](O)[C@@H](OC(=O)CBr)[C@H](O)[C@@H](O)COC(=O)CBr,"InChI=1/C10H16Br2O8/c11-1-7(16)19-4-6(15)9(18)10(5(14)3-13)20-8(17)2-12/h5-6,9-10,13-15,18H,1-4H2",C10H16Br2O8,,,,,,WGVYUKKDEMOGFQ-MLTZYSBQSA-N,,,,,,,,,,,
100.094.018,303-466-6,94199-90-3,"D-glucitol 1,2-bis(bromoacetate)","1,2-bis-O-(bromoacetyl)-D-glucitol",OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](COC(=O)CBr)OC(=O)CBr,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](COC(=O)CBr)OC(=O)CBr,"InChI=1/C10H16Br2O8/c11-1-7(15)19-4-6(20-8(16)2-12)10(18)9(17)5(14)3-13/h5-6,9-10,13-14,17-18H,1-4H2",C10H16Br2O8,,,,,,RFRGHFUMYKGXTJ-MLTZYSBQSA-N,,,,,,,,,,,
100.094.020,303-468-7,94199-92-5,"2,4,6-tripropylbenzaldehyde","2,4,6-tripropylbenzaldehyde",CCCc1cc(CCC)c(C=O)c(CCC)c1,CCCc1cc(CCC)c(C=O)c(CCC)c1,"InChI=1/C16H24O/c1-4-7-13-10-14(8-5-2)16(12-17)15(11-13)9-6-3/h10-12H,4-9H2,1-3H3",C16H24O,,,,,,XLBMUNUEKHFEFL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.021,303-469-2,94199-93-6,Dodecyldimethyltetradecylammonium hydroxide,"N-dodecyl-N,N-dimethyltetradecan-1-aminium hydroxide",[OH-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,[OH-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC,"InChI=1/C28H60N.H2O/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(3,4)27-25-23-21-19-16-14-12-10-8-6-2;/h5-28H2,1-4H3;1H2/q+1;/p-1",C28H60N.HO,,,,,,ZRTYGXZYKBHKAC-UHFFFAOYSA-M,,,,,,,,,,,
100.093.813,303-241-2,94159-60-1,"Trisodium 4-amino-3-[[4-[[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc1ccc(N)cc1c(O)c7N=Nc2ccc(cc2)NC(=O)c3ccc(cc3)N=Nc4c(N)c6c(cc4S([O-])(=O)=O)cc(c(N=Nc5ccccc5)c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc1ccc(N)cc1c(O)c7N=Nc2ccc(cc2)NC(=O)c3ccc(cc3)N=Nc4c(N)c6c(cc4S([O-])(=O)=O)cc(c(N=Nc5ccccc5)c6O)S([O-])(=O)=O,"InChI=1/C39H29N9O12S3.3Na/c40-23-9-6-21-16-30(62(55,56)57)35(37(49)28(21)19-23)47-45-27-14-12-24(13-15-27)42-39(51)20-7-10-26(11-8-20)44-46-34-29(61(52,53)54)17-22-18-31(63(58,59)60)36(38(50)32(22)33(34)41)48-43-25-4-2-1-3-5-25;;;/h1-19,49-50H,40-41H2,(H,42,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3",C39H29N9O12S3.3Na,,,,,,JARNFPAGYWISTC-UHFFFAOYSA-K,,,,,,,,,,,
100.093.815,303-243-3,94159-62-3,[(o-nonylphenoxy)methyl]oxirane,2-[(2-nonylphenoxy)methyl]oxirane,CCCCCCCCCc1ccccc1OCC2CO2,CCCCCCCCCc1ccccc1OCC2CO2,"InChI=1/C18H28O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-18(16)20-15-17-14-19-17/h9-10,12-13,17H,2-8,11,14-15H2,1H3",C18H28O2,,,,,,WNISWKAEAPQCJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.819,303-248-0,94159-68-9,Ammonium isopropylammonium 1-[1-methyl-2-(oleoylamino)ethyl] sulphonatosuccinate,ammonium propan-2-aminium 4-[1-methyl-2-(oleoylamino)ethoxy]-4-oxo-3-sulfonatobutanoate,[NH4+].CCCCCCCC\\C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].CC(C)[NH3+],[NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].CC(C)[NH3+],"InChI=1/C25H45NO8S.C3H9N.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-25(30)22(19-24(28)29)35(31,32)33;1-3(2)4;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,28,29)(H,31,32,33);3H,4H2,1-2H3;1H3",C25H45NO8S.C3H9N.H3N,,,,,,JPZAHCNEFAGBBS-PQBRBDCOSA-N,,,,,,,,,,,
100.093.826,303-255-9,94159-75-8,"3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxapentacontan-1-ol","3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxapentacontan-1-ol",CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C38H78O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-40-17-19-42-21-23-44-25-27-46-29-31-48-33-35-50-37-38-51-36-34-49-32-30-47-28-26-45-24-22-43-20-18-41-16-14-39/h39H,2-38H2,1H3",C38H78O13,,,,,,CAYQUDJGOSZBKU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.833,304-362-3,94248-87-0,"N,N-bis[[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]methyl]stearamide","N,N-bis{[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]methyl}octadecanamide",CCCCCCCCCCCCCCCCCC(=O)N(COCC(O)COCC(O)CO)COCC(O)COCC(O)CO,CCCCCCCCCCCCCCCCCC(=O)N(COCC(O)COCC(O)CO)COCC(O)COCC(O)CO,"InChI=1/C32H65NO11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(40)33(26-43-24-30(38)22-41-20-28(36)18-34)27-44-25-31(39)23-42-21-29(37)19-35/h28-31,34-39H,2-27H2,1H3",C32H65NO11,,,,,,XEXUZDAOYNFNDV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.839,304-369-1,94248-93-8,"5-chloro-2-(4-chlorophenoxy)-N,N-diethylaniline","5-chloro-2-(4-chlorophenoxy)-N,N-diethylaniline",CCN(CC)c1cc(Cl)ccc1Oc2ccc(Cl)cc2,CCN(CC)c1cc(Cl)ccc1Oc2ccc(Cl)cc2,"InChI=1/C16H17Cl2NO/c1-3-19(4-2)15-11-13(18)7-10-16(15)20-14-8-5-12(17)6-9-14/h5-11H,3-4H2,1-2H3",C16H17Cl2NO,,,,,,NHKAINUQCSTXKV-UHFFFAOYSA-N,,,,,,,,,,,
100.099.913,309-978-6,101810-92-8,"N,N',N'',N'''-(1,5-pentanediylidene)tetrakismethacrylamide","N,N',N'',N'''-pentane-1,1,5,5-tetrayltetrakis(2-methylacrylamide)",CC(=C)C(=O)NC(CCCC(NC(=O)C(=C)C)NC(=O)C(=C)C)NC(=O)C(=C)C,CC(=C)C(=O)NC(CCCC(NC(=O)C(=C)C)NC(=O)C(=C)C)NC(=O)C(=C)C,"InChI=1/C21H32N4O4/c1-12(2)18(26)22-16(23-19(27)13(3)4)10-9-11-17(24-20(28)14(5)6)25-21(29)15(7)8/h16-17H,1,3,5,7,9-11H2,2,4,6,8H3,(H,22,26)(H,23,27)(H,24,28)(H,25,29)",C21H32N4O4,,,,,,HZCZYBXRDUQHHO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.172,304-736-6,94278-45-2,2-[2-(4-methylcyclohex-3-en-1-yl)propyl]tetrahydrofuran,2-[2-(4-methylcyclohex-3-en-1-yl)propyl]tetrahydrofuran,CC(CC1CCCO1)C2CCC(=CC2)C,CC(CC1CCCO1)C2CCC(=CC2)C,"InChI=1/C14H24O/c1-11-5-7-13(8-6-11)12(2)10-14-4-3-9-15-14/h5,12-14H,3-4,6-10H2,1-2H3",C14H24O,,,,,,ODEPOTOWUZWOLA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.174,304-738-7,94278-94-1,"(Z,Z)-2-(8,11-heptadecadienyl)-4,5-dihydro-1H-imidazole-1-ethanol","2-(2-heptadeca-8,11-dien-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol",CCCCC\\C=C/C\\C=C/CCCCCCCC1=NCCN1CCO,CCCCC\C=C/C\C=C/CCCCCCCC1=NCCN1CCO,"InChI=1/C22H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h6-7,9-10,25H,2-5,8,11-21H2,1H3",C22H40N2O,,,,,,RZEKCHYRTKKSPQ-HZJYTTRNSA-N,,,,,,,,,,,
100.095.177,304-741-3,94278-97-4,"2-(1-carboxyethoxy)-1-methyl-2-oxoethyl stearate, compound with 2,2',2''-nitrilotriethanol (1:1)","2-{[2-(stearoyloxy)propanoyl]oxy}propanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.OCCN(CCO)CCO,"InChI=1/C24H44O6.C6H15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;8-4-1-7(2-5-9)3-6-10/h20-21H,4-19H2,1-3H3,(H,26,27);8-10H,1-6H2",C24H44O6.C6H15NO3,,,,,,YMMGUDBCTPBDMT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.181,304-746-0,94279-01-3,"Hexahydro-1,3,5-trioctyl-1,3,5-triazine","1,3,5-trioctyl-1,3,5-triazinane",CCCCCCCCN1CN(CCCCCCCC)CN(CCCCCCCC)C1,CCCCCCCCN1CN(CCCCCCCC)CN(CCCCCCCC)C1,"InChI=1/C27H57N3/c1-4-7-10-13-16-19-22-28-25-29(23-20-17-14-11-8-5-2)27-30(26-28)24-21-18-15-12-9-6-3/h4-27H2,1-3H3",C27H57N3,,,,,,CHPWHRVLSQHJNK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.183,304-748-1,94279-03-5,(p-chlorobenzyl)dimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride,"N-(4-chlorobenzyl)-N,N-dimethyl-3-(tetradecanoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1,[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1,"InChI=1/C26H45ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16-26(30)28-21-15-22-29(2,3)23-24-17-19-25(27)20-18-24;/h17-20H,4-16,21-23H2,1-3H3;1H",C26H46ClN2O.Cl,,,,,,OXVVZJAXODXQFF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.681,288-781-6,85896-04-4,"Disodium 2-[4-[[4-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl]azo]benzoyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate","disodium 2-{4-[(4-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzoyl)amino]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)C/C5=C(\\C)/C(/N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)=C(/O)N(CC)C5=O,[Na+].[Na+].[O-]S(=O)(=O)C/C5=C(\C)/C(/N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)=C(/O)N(CC)C5=O,"InChI=1/C30H27N5O9S3.2Na/c1-4-35-29(37)22(15-46(39,40)41)17(3)24(30(35)38)34-33-21-12-6-18(7-13-21)27(36)31-20-10-8-19(9-11-20)28-32-23-14-5-16(2)26(25(23)45-28)47(42,43)44;;/h5-14,38H,4,15H2,1-3H3,(H,31,36)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C30H27N5O9S3.2Na,,,,,,ANCXEFHFJOBSOB-UHFFFAOYSA-L,,,,,,,,,,,
100.080.683,288-783-7,85896-06-6,"Potassium (R)-a-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate","potassium cyclohexa-1,4-dien-1-yl[(3-ethoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate",[K+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\\C=C/CC=1,[K+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\C=C/CC=1,"InChI=1/C14H19NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-5,8-9,13,15H,3,6-7H2,1-2H3,(H,17,18);/q;+1/p-1",C14H19NO4.K,,,,,,QXKDAXOBTDUKAB-BTQNPOSSSA-M,,,,,,,,,,,
100.080.686,288-786-3,85896-09-9,N-(2-ethoxy-4-nitrophenyl)dibenzylamine,"N,N-dibenzyl-2-ethoxy-4-nitroaniline",CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+](=O)[O-],CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+](=O)[O-],"InChI=1/C22H22N2O3/c1-2-27-22-15-20(24(25)26)13-14-21(22)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3",C22H22N2O3,,,,,,KUUVJVCDGHFMMI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.695,288-796-8,85896-19-1,"Bis(2,3-dihydroxypropyl)dodecylammonium perchlorate","N,N-bis(2,3-dihydroxypropyl)dodecan-1-aminium perchlorate",CCCCCCCCCCCC[NH+](CC(O)CO)CC(O)CO.[O-]Cl(=O)(=O)=O,CCCCCCCCCCCC[NH+](CC(O)CO)CC(O)CO.[O-]Cl(=O)(=O)=O,"InChI=1/C18H39NO4.ClHO4/c1-2-3-4-5-6-7-8-9-10-11-12-19(13-17(22)15-20)14-18(23)16-21;2-1(3,4)5/h17-18,20-23H,2-16H2,1H3;(H,2,3,4,5)",C18H39NO4.ClHO4,,,,,,RQEXDXHUPQKWEM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.737,288-842-7,85909-39-3,Sodium 2-ethylhexyl 2-hydroxyethyl phosphate,sodium 2-ethylhexyl 2-hydroxyethyl phosphate,[Na+].OCCOP([O-])(=O)OCC(CCCC)CC,[Na+].OCCOP([O-])(=O)OCC(CCCC)CC,"InChI=1/C10H23O5P.Na/c1-3-5-6-10(4-2)9-15-16(12,13)14-8-7-11;/h10-11H,3-9H2,1-2H3,(H,12,13);/q;+1/p-1",C10H23O5P.Na,,,,,,MFOCXXTYQVKVBP-UHFFFAOYSA-M,,,,,,,,,,,
100.080.738,288-843-2,85909-40-6,2-ethylhexyl 2-hydroxyethyl hydrogen phosphate,2-ethylhexyl 2-hydroxyethyl hydrogen phosphate,OCCOP(O)(=O)OCC(CC)CCCC,OCCOP(O)(=O)OCC(CC)CCCC,"InChI=1/C10H23O5P/c1-3-5-6-10(4-2)9-15-16(12,13)14-8-7-11/h10-11H,3-9H2,1-2H3,(H,12,13)",C10H23O5P,,,,,,VCSZVNWYOBIYIV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.749,288-855-8,85909-51-9,Benzyldodecyldimethylammonium thiocyanate,"N-benzyl-N,N-dimethyldodecan-1-aminium thiocyanate",CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[S-]C#N,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[S-]C#N,"InChI=1/C21H38N.CHNS/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;2-1-3/h13-15,17-18H,4-12,16,19-20H2,1-3H3;3H/q+1;/p-1",C21H38N.CNS,,,,,,FYNVMNJSYWEFFH-UHFFFAOYSA-M,,,,,,,,,,,
100.078.244,286-099-3,85187-12-8,"5,7,7-trimethyloct-2-enoic acid","5,7,7-trimethyloct-2-enoic acid",OC(=O)C=CCC(C)CC(C)(C)C,OC(=O)C=CCC(C)CC(C)(C)C,"InChI=1/C11H20O2/c1-9(8-11(2,3)4)6-5-7-10(12)13/h5,7,9H,6,8H2,1-4H3,(H,12,13)",C11H20O2,,,,,,PUKIIUAGWAFYPN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.247,286-102-8,85187-15-1,"3,7,7-trimethyl-4-(octylthio)bicyclo[4.1.0]heptan-3-ol","3,7,7-trimethyl-4-(octylsulfanyl)bicyclo[4.1.0]heptan-3-ol",CCCCCCCCSC1CC2C(CC1(C)O)C2(C)C,CCCCCCCCSC1CC2C(CC1(C)O)C2(C)C,"InChI=1/C18H34OS/c1-5-6-7-8-9-10-11-20-16-12-14-15(17(14,2)3)13-18(16,4)19/h14-16,19H,5-13H2,1-4H3",C18H34OS,,,,,,LGBTXVVFHLNTQB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.249,286-104-9,85187-17-3,"Potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulphonate","potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonate",[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C12HF25O3S.K/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)41(38,39)40;/h(H,38,39,40);/q;+1/p-1",C12HF25O3S.K,,,,,,YYQFDGJQJNTHTO-UHFFFAOYSA-M,,,,,,,,,,,
100.092.657,301-970-0,94087-76-0,"5-dodecylpyrimidine-2,4,6-triamine","5-dodecylpyrimidine-2,4,6-triamine",CCCCCCCCCCCCc1c(N)nc(N)nc1N,CCCCCCCCCCCCc1c(N)nc(N)nc1N,"InChI=1/C16H31N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)20-16(19)21-15(13)18/h2-12H2,1H3,(H6,17,18,19,20,21)",C16H31N5,,,,,,PEPWLMWLJXTXFM-UHFFFAOYSA-N,,,,,,,,,,,
100.092.658,301-971-6,94087-77-1,"5-tetradecylpyrimidine-2,4,6-triamine","5-tetradecylpyrimidine-2,4,6-triamine",CCCCCCCCCCCCCCc1c(N)nc(N)nc1N,CCCCCCCCCCCCCCc1c(N)nc(N)nc1N,"InChI=1/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)22-18(21)23-17(15)20/h2-14H2,1H3,(H6,19,20,21,22,23)",C18H35N5,,,,,,ZYBZGAVYYLHNQK-UHFFFAOYSA-N,,,,,,,,,,,
100.092.672,301-986-8,94087-91-9,1-[2-(2-hydroxyethoxy)ethoxy]octadecan-2-ol,1-[2-(2-hydroxyethoxy)ethoxy]octadecan-2-ol,CCCCCCCCCCCCCCCCC(O)COCCOCCO,CCCCCCCCCCCCCCCCC(O)COCCOCCO,"InChI=1/C22H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(24)21-26-20-19-25-18-17-23/h22-24H,2-21H2,1H3",C22H46O4,,,,,,ZRPMKCRNMKWTGW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.675,301-989-4,94087-94-2,2-[[(propylamino)carbonyl]oxy]ethyl acrylate,2-[(propylcarbamoyl)oxy]ethyl acrylate,CCCNC(=O)OCCOC(=O)C=C,CCCNC(=O)OCCOC(=O)C=C,"InChI=1/C9H15NO4/c1-3-5-10-9(12)14-7-6-13-8(11)4-2/h4H,2-3,5-7H2,1H3,(H,10,12)",C9H15NO4,,,,,,ZBFDHSKICZVELA-UHFFFAOYSA-N,,,,,,,,,,,
100.092.687,302-003-5,94088-06-9,"1-ethoxy-1,3-dimethoxypentane","1-ethoxy-1,3-dimethoxypentane",CCOC(CC(CC)OC)OC,CCOC(CC(CC)OC)OC,"InChI=1/C9H20O3/c1-5-8(10-3)7-9(11-4)12-6-2/h8-9H,5-7H2,1-4H3",C9H20O3,,,,,,XAPMEYQVHUTUEC-UHFFFAOYSA-N,,,,,,,,,,,
100.092.689,302-005-6,94088-08-1,"1-ethoxy-1,3-dimethoxynonane","1-ethoxy-1,3-dimethoxynonane",CCCCCCC(CC(OC)OCC)OC,CCCCCCC(CC(OC)OCC)OC,"InChI=1/C13H28O3/c1-5-7-8-9-10-12(14-3)11-13(15-4)16-6-2/h12-13H,5-11H2,1-4H3",C13H28O3,,,,,,JBLJTYZSYJSTNX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.691,302-007-7,94088-10-5,"(Z)-7,9,9-triethoxynon-3-ene","7,9,9-triethoxynon-3-ene",CCOC(CC\\C=C/CC)CC(OCC)OCC,CCOC(CC\C=C/CC)CC(OCC)OCC,"InChI=1/C15H30O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h9-10,14-15H,5-8,11-13H2,1-4H3",C15H30O3,,,,,,VUIMLAIIKSNXBC-KTKRTIGZSA-N,,,,,,,,,,,
100.092.694,302-010-3,94088-13-8,(Z)-2-methyleneoct-5-enal,2-methyleneoct-5-enal,CC\\C=C/CCC(=C)C=O,CC\C=C/CCC(=C)C=O,"InChI=1/C9H14O/c1-3-4-5-6-7-9(2)8-10/h4-5,8H,2-3,6-7H2,1H3",C9H14O,,,,,,MVRIQXQTGVCWOS-PLNGDYQASA-N,,,,,,,,,,,
100.090.941,300-082-0,93919-96-1,"(Z)-2,2'-(octadec-9-enylimino)bisethanol hydrochloride","2,2'-(octadec-9-en-1-ylimino)diethanol hydrochloride",Cl.CCCCCCCC\\C=C/CCCCCCCCN(CCO)CCO,Cl.CCCCCCCC\C=C/CCCCCCCCN(CCO)CCO,"InChI=1/C22H45NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;/h9-10,24-25H,2-8,11-22H2,1H3;1H",C22H45NO2.ClH,,,,,,PYVOXDDQWISZTR-KVVVOXFISA-N,,,,,,,,,,,
100.090.945,300-086-2,93920-03-7,"1-icosyl hydrogen 2-sulphosuccinate, compound with 2-aminoethanol (1:2)",4-(icosyloxy)-4-oxo-3-sulfobutanoic acid - 2-aminoethanol (1:2),CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO,CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.NCCO.NCCO,"InChI=1/C24H46O7S.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;2*3-1-2-4/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*4H,1-3H2",C24H46O7S.2C2H7NO,,,,,,FWZKYFIXWPZZNL-UHFFFAOYSA-N,,,,,,,,,,,
100.090.961,300-103-3,93920-19-5,"Undecanoic acid, compound with 1,1',1''-nitrilotripropan-2-ol (1:1)","undecanoic acid - 1,1',1''-nitrilotripropan-2-ol (1:1)",CCCCCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O,CCCCCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O,"InChI=1/C11H22O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-10H2,1H3,(H,12,13);7-9,11-13H,4-6H2,1-3H3",C11H22O2.C9H21NO3,,,,,,VYHSKKUZNRPTJN-UHFFFAOYSA-N,,,,,,,,,,,
100.089.745,298-766-6,93838-94-9,"5-[(1-ethylpyrrolidin-2-ylidene)ethylidene]dihydro-1,3-dimethyl-2-thioxo-1H,5H-pyrimidine-4,6-dione","5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione",CCN2CCCC2=C\\C=C1\\C(=O)N(C)C(=S)N(C)C1=O,CCN2CCCC2=C\C=C1\C(=O)N(C)C(=S)N(C)C1=O,"InChI=1/C14H19N3O2S/c1-4-17-9-5-6-10(17)7-8-11-12(18)15(2)14(20)16(3)13(11)19/h7-8H,4-6,9H2,1-3H3",C14H19N3O2S,,,,,,KLYFADFDIJGCMP-UHFFFAOYSA-N,,,,,,,,,,,
100.091.376,300-559-3,93942-10-0,"N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]octadeca-9,12-dien-1-amide","N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]octadeca-9,12-dienamide",CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN,CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN,"InChI=1/C24H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29)",C24H48N4O,,,,,,ZOHQBCHYQPFLNG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.380,300-564-0,93942-14-4,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]dodecanamide monoacetate,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)dodecanamide acetate,CCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,CCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,"InChI=1/C20H45N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-20(26)25-19-18-24-17-16-23-15-14-22-13-12-21;1-2(3)4/h22-24H,2-19,21H2,1H3,(H,25,26);1H3,(H,3,4)",C20H45N5O.C2H4O2,,,,,,POLJLYFKMUKDMF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.023,303-471-3,94199-95-8,Benzyl [1-(aminocarbonyl)-2-[(methylsulphonyl)oxy]propyl]carbamate,3-amino-2-{[(benzyloxy)carbonyl]amino}-1-methyl-3-oxopropyl methanesulfonate,CC(OS(=O)(=O)C)C(NC(=O)OCc1ccccc1)C(=O)N,CC(OS(=O)(=O)C)C(NC(=O)OCc1ccccc1)C(=O)N,"InChI=1/C13H18N2O6S/c1-9(21-22(2,18)19)11(12(14)16)15-13(17)20-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,14,16)(H,15,17)",C13H18N2O6S,,,,,,FKFRPOGPNHJBGP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.031,303-480-2,94200-04-1,2-phenylpropyl salicylate,2-phenylpropyl salicylate,CC(COC(=O)c1ccccc1O)c2ccccc2,CC(COC(=O)c1ccccc1O)c2ccccc2,"InChI=1/C16H16O3/c1-12(13-7-3-2-4-8-13)11-19-16(18)14-9-5-6-10-15(14)17/h2-10,12,17H,11H2,1H3",C16H16O3,,,,,,SYBHSJVPHKONAA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.032,303-481-8,94200-05-2,2-ethylheptyl butyrate,2-ethylheptyl butyrate,CCCCCC(CC)COC(=O)CCC,CCCCCC(CC)COC(=O)CCC,"InChI=1/C13H26O2/c1-4-7-8-10-12(6-3)11-15-13(14)9-5-2/h12H,4-11H2,1-3H3",C13H26O2,,,,,,NVYHUJCPMVDGIV-UHFFFAOYSA-N,,,,,,,,,,,
100.096.348,306-034-5,95873-45-3,2-[2-(2-butoxyethoxy)-1-methylethoxy]propan-1-ol,2-[2-(2-butoxyethoxy)-1-methylethoxy]propan-1-ol,CCCCOCCOCC(C)OC(C)CO,CCCCOCCOCC(C)OC(C)CO,"InChI=1/C12H26O4/c1-4-5-6-14-7-8-15-10-12(3)16-11(2)9-13/h11-13H,4-10H2,1-3H3",C12H26O4,,,,,,HJOGMSDBCIAOPG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.372,306-060-7,95873-69-1,Sodium [(6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate,sodium [(6-hydroxy-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate,[Na+].CC1=CC(=O)Oc2cc(OCC(=O)[O-])c(O)cc12,[Na+].CC1=CC(=O)Oc2cc(OCC(=O)[O-])c(O)cc12,"InChI=1/C12H10O6.Na/c1-6-2-12(16)18-9-4-10(17-5-11(14)15)8(13)3-7(6)9;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1",C12H10O6.Na,,,,,,CIVAPWNSKCJJEE-UHFFFAOYSA-M,,,,,,,,,,,
100.097.879,307-718-6,97721-72-7,2-chloroethyl 2-methylbenzenesulphonate,2-chloroethyl 2-methylbenzenesulfonate,Cc1ccccc1S(=O)(=O)OCCCl,Cc1ccccc1S(=O)(=O)OCCCl,"InChI=1/C9H11ClO3S/c1-8-4-2-3-5-9(8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3",C9H11ClO3S,,,,,,HMIYUOHGRSXXEB-UHFFFAOYSA-N,,,,,,,,,,,
100.097.880,307-719-1,97721-73-8,"[trimethyl[3-[3-octadecyl-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] methyl sulphate","N,N,N-trimethyl-3-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)propan-1-aminium methyl sulfate",CCCCCCCCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)C)C1=O.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCCC1CC(=O)N(CCC[N+](C)(C)C)C1=O.COS(=O)(=O)[O-],"InChI=1/C28H55N2O2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-25-27(31)29(28(26)32)23-21-24-30(2,3)4;1-5-6(2,3)4/h26H,5-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C28H55N2O2.CH3O4S,,,,,,FMGRHIWJCNVYPS-UHFFFAOYSA-M,,,,,,,,,,,
100.097.885,307-724-9,97721-78-3,3-bromo-6-methylpyridazinium chloride,3-bromo-6-methylpyridazin-1-ium chloride,[Cl-].Cc1ccc(Br)n[nH+]1,[Cl-].Cc1ccc(Br)n[nH+]1,"InChI=1/C5H5BrN2.ClH/c1-4-2-3-5(6)8-7-4;/h2-3H,1H3;1H",C5H5BrN2.ClH,,,,,,BYMNVIDFMPABTK-UHFFFAOYSA-N,,,,,,,,,,,
100.096.147,305-807-4,95046-20-1,"(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with (Z)-9-octadecen-1-amine (1:1)",N-methyl-N-oleoylglycine - octadec-9-en-1-amine (1:1),CCCCCCCC\\C=C/CCCCCCCCN.CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(=O)O,CCCCCCCC\C=C/CCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O,"InChI=1/C21H39NO3.C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);9-10H,2-8,11-19H2,1H3",C21H39NO3.C18H37N,,,,,,IYHKPWZZQIXPGH-XEXRUUOTSA-N,,,,,,,,,,,
100.096.149,305-810-0,95046-22-3,N-(2-hydroxyethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]glycine monohydrochloride,N-(2-hydroxyethyl)-N-[2-(stearoylamino)ethyl]glycine hydrochloride,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O,"InChI=1/C24H48N2O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h27H,2-22H2,1H3,(H,25,28)(H,29,30);1H",C24H48N2O4.ClH,,,,,,XFXRRNWYIJBFDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.158,305-820-5,95046-32-5,2-bromo-3-hydroxy-1-naphthoic acid,2-bromo-3-hydroxy-1-naphthoic acid,OC(=O)c1c(Br)c(O)cc2ccccc12,OC(=O)c1c(Br)c(O)cc2ccccc12,"InChI=1/C11H7BrO3/c12-10-8(13)5-6-3-1-2-4-7(6)9(10)11(14)15/h1-5,13H,(H,14,15)",C11H7BrO3,,,,,,JTLGFIIPOXUJME-UHFFFAOYSA-N,,,,,,,,,,,
100.096.161,305-823-1,95046-35-8,4-(isopropyl)-1-methylcyclohex-3-en-1-yl acetate,4-isopropyl-1-methylcyclohex-3-en-1-yl acetate,CC(C)C1=CCC(C)(CC1)OC(=O)C,CC(C)C1=CCC(C)(CC1)OC(=O)C,"InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5,9H,6-8H2,1-4H3",C12H20O2,,,,,,HTFJGCGGTGREIF-UHFFFAOYSA-N,,,,,,,,,,,
100.097.937,307-782-5,97752-20-0,"(E)-[2-[4-[1-(3-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate","2-{4-[1-(3-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium dihydrogen citrate",CC\\C(=C(\\c1ccc(OCC[NH+](C)C)cc1)/c2cccc(O)c2)\\c3ccccc3.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC\C(=C(\c1ccc(OCC[NH+](C)C)cc1)/c2cccc(O)c2)\c3ccccc3.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C26H29NO2.C6H8O7/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-16,19,28H,4,17-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C26H29NO2.C6H8O7,,,,,,GTJXPMSTODOYNP-BTKVJIOYSA-L,,,,,,,,,,,
100.095.185,304-750-2,94279-05-7,"(2,4-dichlorobenzyl)dimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride","N-(2,4-dichlorobenzyl)-N,N-dimethyl-3-(tetradecanoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl,[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl,"InChI=1/C26H44Cl2N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16-26(31)29-19-15-20-30(2,3)22-23-17-18-24(27)21-25(23)28;/h17-18,21H,4-16,19-20,22H2,1-3H3;1H",C26H45Cl2N2O.Cl,,,,,,YJNZATAWYFDGHO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.193,304-759-1,94279-13-7,[1-(3-ethylphenyl)ethyl](1-phenylethyl)benzene,1-[1-(3-ethylphenyl)ethyl]-2-(1-phenylethyl)benzene,CCc1cccc(c1)C(C)c2ccccc2C(C)c3ccccc3,CCc1cccc(c1)C(C)c2ccccc2C(C)c3ccccc3,"InChI=1/C24H26/c1-4-20-11-10-14-22(17-20)19(3)24-16-9-8-15-23(24)18(2)21-12-6-5-7-13-21/h5-19H,4H2,1-3H3",C24H26,,,,,,LSJYPNHKZYLVOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.201,304-768-0,94279-22-8,2-hydroxyphenyl [3-(trimethoxysilyl)propoxy]phenyl ketone,(2-hydroxyphenyl){2-[3-(trimethoxysilyl)propoxy]phenyl}methanone,CO[Si](CCCOc1ccccc1C(=O)c2ccccc2O)(OC)OC,CO[Si](CCCOc1ccccc1C(=O)c2ccccc2O)(OC)OC,"InChI=1/C19H24O6Si/c1-22-26(23-2,24-3)14-8-13-25-18-12-7-5-10-16(18)19(21)15-9-4-6-11-17(15)20/h4-7,9-12,20H,8,13-14H2,1-3H3",C19H24O6Si,,,,,,NGWLAARQGOAMHW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.828,303-258-5,94159-77-0,"[bis(2-hydroxyethyl)][2-hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-yl]methylammonium iodide","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-12-(trifluoromethyl)tridecan-1-aminium iodide",[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H19F23NO3.HI/c1-43(2-4-44,3-5-45)7-8(46)6-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42;/h8,44-46H,2-7H2,1H3;1H/q+1;/p-1",C19H19F23NO3.I,,,,,,ACIXJWKFKMGNIK-UHFFFAOYSA-M,,,,,,,,,,,
100.093.832,303-262-7,94159-81-6,"1-[[3-(dimethylamino)propyl]amino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol","1-{[3-(dimethylamino)propyl]amino}-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol",CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C16H19F17N2O/c1-35(2)5-3-4-34-7-8(36)6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,34,36H,3-7H2,1-2H3",C16H19F17N2O,,,,,,PPEQDXFGRTWOEV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.837,303-267-4,94159-86-1,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-(vinyloxy)undecan-2-ol","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-(vinyloxy)undecan-2-ol",OC(COC=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(COC=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H9F17O2/c1-2-32-4-5(31)3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2,5,31H,1,3-4H2",C13H9F17O2,,,,,,XLLVATUSJHKQQF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.838,303-269-5,94159-87-2,"Potassium N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)-N-methylglycinate","potassium [(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)(methyl)amino]acetate",[K+].CN(CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)[O-],[K+].CN(CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)[O-],"InChI=1/C14H12F17NO3.K/c1-32(4-6(34)35)3-5(33)2-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31;/h5,33H,2-4H2,1H3,(H,34,35);/q;+1/p-1",C14H12F17NO3.K,,,,,,ZKOCMECLPOODCE-UHFFFAOYSA-M,,,,,,,,,,,
100.093.839,303-270-0,94159-88-3,"4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2,2-dimethyl-1,3-dioxolane","4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2,2-dimethyl-1,3-dioxolane",CC1(C)OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1,CC1(C)OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1,"InChI=1/C14H11F17O2/c1-6(2)32-4-5(33-6)3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5H,3-4H2,1-2H3",C14H11F17O2,,,,,,UCXJEPZAXJRBAT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.859,303-292-0,94160-10-8,"2-heptadecyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride","2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethanol hydrochloride",Cl.CCCCCCCCCCCCCCCCCC1=NCCN1CCO,Cl.CCCCCCCCCCCCCCCCCC1=NCCN1CCO,"InChI=1/C22H44N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;/h25H,2-21H2,1H3;1H",C22H44N2O.ClH,,,,,,LBEJEZHDEBDLKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.863,303-296-2,94160-14-2,2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl phosphate(3:1),tris(2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethyl) phosphate,CCCCCCCCCCCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCCCCCCCCCCC)OCCOCCOCCOCCCCCCCCCCCC,CCCCCCCCCCCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCCCCCCCCCCC)OCCOCCOCCOCCCCCCCCCCCC,"InChI=1/C54H111O13P/c1-4-7-10-13-16-19-22-25-28-31-34-56-37-40-59-43-46-62-49-52-65-68(55,66-53-50-63-47-44-60-41-38-57-35-32-29-26-23-20-17-14-11-8-5-2)67-54-51-64-48-45-61-42-39-58-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3",C54H111O13P,,,,,,YTJJNMBLBMRQOD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.502,288-584-5,85763-59-3,"1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2,3-dimethyl-1H-imidazolium tetrachlorozincate(2-)","bis(1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}-2,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium) tetrachlorozincate(2-)",CC3[NH+](CCN(CC)c2ccc(N=Nc1ccc(cc1Cl)[N+]([O-])=O)cc2)\\C=C/N3C.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC)CC[NH+]2\\C=C/N(C)C2C)c(Cl)c3,CC3[NH+](CCN(CC)c2ccc(N=Nc1ccc(cc1Cl)[N+]([O-])=O)cc2)\C=C/N3C.Cl[Zn-2](Cl)(Cl)Cl.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC)CC[NH+]2\C=C/N(C)C2C)c(Cl)c3,"InChI=1/2C21H25ClN6O2.4ClH.Zn/c2*1-4-26(13-14-27-12-11-25(3)16(27)2)18-7-5-17(6-8-18)23-24-21-10-9-19(28(29)30)15-20(21)22;;;;;/h2*5-12,15-16H,4,13-14H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C21H25ClN6O2.Cl4Zn/c2*1-4-26(13-14-27-12-11-25(3)16(27)2)18-7-5-17(6-8-18)23-24-21-10-9-19(28(29)30)15-20(21)22;1-5(2,3)4/h2*5-12,15-16H,4,13-14H2,1-3H3;/q;;-2/p+2",C21H24ClN6O2.1/2Cl4Zn,,,,,,CWEVMHZLDOAQNG-UHFFFAOYSA-L,,,,,,,,,,,
100.080.522,288-605-8,85828-78-0,"N,N'-[iminobis(ethyleneiminoethylene)]distearamide acetate","N-(13-oxo-3,6,9,12-tetraazatriacont-1-yl)octadecanamide acetate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O,"InChI=1/C44H91N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)",C44H91N5O2.xC2H4O2,,,,,,MVLARNWGFHCMHK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.523,288-606-3,85828-79-1,"4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxobutyric acid","4-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-4-oxobutanoic acid",Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)n1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)n1,"InChI=1/C16H18N4O5S/c1-10-9-11(2)18-16(17-10)20-26(24,25)13-5-3-12(4-6-13)19-14(21)7-8-15(22)23/h3-6,9H,7-8H2,1-2H3,(H,19,21)(H,22,23)(H,17,18,20)",C16H18N4O5S,,,,,,IBPVENLZDNUDHD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.524,288-607-9,85828-80-4,DL-lysine mono(4-oxo-4H-1-benzopyran-2-carboxylate),4-oxo-4H-chromene-2-carboxylic acid - lysine (1:1),NCCCCC(N)C(=O)O.OC(=O)C1=CC(=O)c2ccccc2O1,NCCCCC(N)C(=O)O.OC(=O)C1=CC(=O)c2ccccc2O1,"InChI=1/C10H6O4.C6H14N2O2/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8;7-4-2-1-3-5(8)6(9)10/h1-5H,(H,12,13);5H,1-4,7-8H2,(H,9,10)",C10H6O4.C6H14N2O2,,,,,,VIZSJVROPKSKBP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.525,288-608-4,85828-81-5,"4-(4-hydroxy-3-isopropylphenoxy)-3,5-diiodophenylacetic acid","[4-(4-hydroxy-3-isopropylphenoxy)-3,5-diiodophenyl]acetic acid",CC(C)c1cc(Oc2c(I)cc(CC(=O)O)cc2I)ccc1O,CC(C)c1cc(Oc2c(I)cc(CC(=O)O)cc2I)ccc1O,"InChI=1/C17H16I2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)",C17H16I2O4,,,,,,KSZBMSJSJFZGRF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.436,286-310-9,85204-16-6,"2-ethyl-5,9-dimethyldeca-2,4,8-trienal","2-ethyl-5,9-dimethyldeca-2,4,8-trienal",C/C(C)=C\\CCC(C)=CC=C(C=O)CC,C/C(C)=C\CCC(C)=CC=C(C=O)CC,"InChI=1/C14H22O/c1-5-14(11-15)10-9-13(4)8-6-7-12(2)3/h7,9-11H,5-6,8H2,1-4H3",C14H22O,,,,,,CBCNSUNKJFIOKF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.437,286-311-4,85204-17-7,2-phenylethyl 2-ethyl-2-butenoate,2-phenylethyl 2-ethylbut-2-enoate,CCC(=CC)C(=O)OCCc1ccccc1,CCC(=CC)C(=O)OCCc1ccccc1,"InChI=1/C14H18O2/c1-3-13(4-2)14(15)16-11-10-12-8-6-5-7-9-12/h3,5-9H,4,10-11H2,1-2H3",C14H18O2,,,,,,RCGVVLWESIDPJT-UHFFFAOYSA-N,,,,,,,,,,,
100.078.442,286-317-7,85204-22-4,Disodium 2-butoxyethyl phosphate,disodium 2-butoxyethyl phosphate,[Na+].[Na+].CCCCOCCOP(=O)([O-])[O-],[Na+].[Na+].CCCCOCCOP(=O)([O-])[O-],"InChI=1/C6H15O5P.2Na/c1-2-3-4-10-5-6-11-12(7,8)9;;/h2-6H2,1H3,(H2,7,8,9);;/q;2*+1/p-2",C6H15O5P.2Na,,,,,,MPFVDKFRCLZQKV-UHFFFAOYSA-L,,,,,,,,,,,
100.080.549,288-635-1,85851-76-9,"2,5-dimethylheptyl 4-methyloctyl phthalate","2,5-dimethylheptyl 4-methyloctyl phthalate",CCCCC(C)CCCOC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,CCCCC(C)CCCOC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,"InChI=1/C26H42O4/c1-6-8-12-21(4)13-11-18-29-25(27)23-14-9-10-15-24(23)26(28)30-19-22(5)17-16-20(3)7-2/h9-10,14-15,20-22H,6-8,11-13,16-19H2,1-5H3",C26H42O4,,,,,,NXXILHVVOZJPEM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.550,288-636-7,85851-77-0,"2,5-dimethylheptyl 6-methyloctyl phthalate","2,5-dimethylheptyl 6-methyloctyl phthalate",CCC(C)CCCCCOC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,CCC(C)CCCCCOC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,"InChI=1/C26H42O4/c1-6-20(3)13-9-8-12-18-29-25(27)23-14-10-11-15-24(23)26(28)30-19-22(5)17-16-21(4)7-2/h10-11,14-15,20-22H,6-9,12-13,16-19H2,1-5H3",C26H42O4,,,,,,PHPAWJHCSXLDCE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.570,288-658-7,85857-17-6,"Dimethoxymethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane","(dimethoxymethyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",COC(OC)[SiH2]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,COC(OC)[SiH2]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H13F13O2Si/c1-25-5(26-2)27-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,3-4,27H2,1-2H3",C11H13F13O2Si,,,,,,FNWFDWVZPJMYPV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.447,286-322-4,85204-27-9,3-phenylpropyl cyclohexanepropionate,3-phenylpropyl 3-cyclohexylpropanoate,O=C(CCC1CCCCC1)OCCCc2ccccc2,O=C(CCC1CCCCC1)OCCCc2ccccc2,"InChI=1/C18H26O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2",C18H26O2,,,,,,VECOJECXTIMSPX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.449,286-325-0,85204-29-1,"[4-(1,1-dimethylethyl)cyclohexyl]methyl isobutyrate",(4-tert-butylcyclohexyl)methyl 2-methylpropanoate,CC(C)C(=O)OCC1CCC(CC1)C(C)(C)C,CC(C)C(=O)OCC1CCC(CC1)C(C)(C)C,"InChI=1/C15H28O2/c1-11(2)14(16)17-10-12-6-8-13(9-7-12)15(3,4)5/h11-13H,6-10H2,1-5H3",C15H28O2,,,,,,AHSZRWXANYELKG-UHFFFAOYSA-N,,,,,,,,,,,
100.078.451,286-327-1,85204-31-5,"4-(1,1-dimethylethyl)cyclohexylmethyl acetate",(4-tert-butylcyclohexyl)methyl acetate,CC(=O)OCC1CCC(CC1)C(C)(C)C,CC(=O)OCC1CCC(CC1)C(C)(C)C,"InChI=1/C13H24O2/c1-10(14)15-9-11-5-7-12(8-6-11)13(2,3)4/h11-12H,5-9H2,1-4H3",C13H24O2,,,,,,WKUHCAGBLASMGF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.382,300-566-1,93942-16-6,N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]hexadecan-1-amide,N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN,CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1/C24H53N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)29-23-22-28-21-20-27-19-18-26-17-16-25/h26-28H,2-23,25H2,1H3,(H,29,30)",C24H53N5O,,,,,,PEOXEUKZSKKSAI-UHFFFAOYSA-N,,,,,,,,,,,
100.091.388,300-572-4,93942-22-4,"N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-9,12,15-octadecatrienamide","N-(2-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)octadeca-9,12,15-trienamide",CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCN,CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1/C26H51N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27/h3-4,6-7,9-10,28-30H,2,5,8,11-25,27H2,1H3,(H,31,32)",C26H51N5O,,,,,,NGEWKRJKIDUTQY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.390,300-575-0,93942-24-6,"3-[[4-[(6,7-dichlorobenzothiazol-2-yl)azo]phenyl](3-phenylpropyl)amino]propiononitrile","3-[{4-[(6,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}(3-phenylpropyl)amino]propanenitrile",N#CCCN(CCCc1ccccc1)c2ccc(cc2)N=Nc3nc4ccc(Cl)c(Cl)c4s3,N#CCCN(CCCc1ccccc1)c2ccc(cc2)N=Nc3nc4ccc(Cl)c(Cl)c4s3,"InChI=1/C25H21Cl2N5S/c26-21-13-14-22-24(23(21)27)33-25(29-22)31-30-19-9-11-20(12-10-19)32(17-5-15-28)16-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14H,4-5,8,16-17H2",C25H21Cl2N5S,,,,,,PSXCLXSGZXHCKH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.391,300-576-6,93942-25-7,"Azelaic acid, compound with morpholine",nonanedioic acid - morpholine (1:1),OC(=O)CCCCCCCC(=O)O.C1COCCN1,OC(=O)CCCCCCCC(=O)O.C1COCCN1,"InChI=1/C9H16O4.C4H9NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-3-6-4-2-5-1/h1-7H2,(H,10,11)(H,12,13);5H,1-4H2",C9H16O4.xC4H9NO,,,,,,ZMWOZPXALDXLFM-UHFFFAOYSA-N,,,,,,,,,,,
100.091.392,300-577-1,93942-26-8,"Azelaic acid, compound with 2-amino-2-methylpropan-1-ol",nonanedioic acid - 2-amino-2-methylpropan-1-ol (1:1),CC(C)(N)CO.OC(=O)CCCCCCCC(=O)O,CC(C)(N)CO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C4H11NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-4(2,5)3-6/h1-7H2,(H,10,11)(H,12,13);6H,3,5H2,1-2H3",C9H16O4.xC4H11NO,,,,,,SHMMNXHKBKKONC-UHFFFAOYSA-N,,,,,,,,,,,
100.091.393,300-578-7,93942-27-9,"Azelaic acid, compound with 2-aminobutan-1-ol",nonanedioic acid - 2-aminobutan-1-ol (1:1),CCC(N)CO.OC(=O)CCCCCCCC(=O)O,CCC(N)CO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C4H11NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-2-4(5)3-6/h1-7H2,(H,10,11)(H,12,13);4,6H,2-3,5H2,1H3",C9H16O4.xC4H11NO,,,,,,PBCKWJLVNREVRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.396,300-581-3,93942-30-4,"Cinnamic acid, compound with piperazine-1,4-diethanol (1:1)","3-phenylacrylic acid - 2,2'-piperazine-1,4-diyldiethanol (1:1)",OCCN1CCN(CCO)CC1.OC(=O)\\C=C\\c2ccccc2,OCCN1CCN(CCO)CC1.OC(=O)\C=C\c2ccccc2,"InChI=1/C9H8O2.C8H18N2O2/c10-9(11)7-6-8-4-2-1-3-5-8;11-7-5-9-1-2-10(4-3-9)6-8-12/h1-7H,(H,10,11);11-12H,1-8H2",C9H8O2.C8H18N2O2,,,,,,DLHIXDDEHOSZTF-UHDJGPCESA-N,,,,,,,,,,,
100.092.707,302-025-5,94088-26-3,"(2E,6Z)-dodeca-2,6-dienoic acid","dodeca-2,6-dienoic acid",CCCCC\\C=C/CC\\C=C\\C(=O)O,CCCCC\C=C/CC\C=C\C(=O)O,"InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,13,14)",C12H20O2,,,,,,RFHKVLKBWQIQDY-JFEAUALZSA-N,,,,,,,,,,,
100.092.710,302-028-1,94088-29-6,1-ethoxy-4-methylnon-1-ene,1-ethoxy-4-methylnon-1-ene,CC(CCCCC)CC=COCC,CC(CCCCC)CC=COCC,"InChI=1/C12H24O/c1-4-6-7-9-12(3)10-8-11-13-5-2/h8,11-12H,4-7,9-10H2,1-3H3",C12H24O,,,,,,XEPRCDNMZKXCAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.712,302-030-2,94088-31-0,1-ethoxy-4-methyldecene,1-ethoxy-4-methyldec-1-ene,CC(CCCCCC)CC=COCC,CC(CCCCCC)CC=COCC,"InChI=1/C13H26O/c1-4-6-7-8-10-13(3)11-9-12-14-5-2/h9,12-13H,4-8,10-11H2,1-3H3",C13H26O,,,,,,DOKCVINUNJXDFD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.716,302-034-4,94088-35-4,(Z)-1-bromohept-3-ene,1-bromohept-3-ene,CCC\\C=C/CCBr,CCC\C=C/CCBr,"InChI=1/C7H13Br/c1-2-3-4-5-6-7-8/h4-5H,2-3,6-7H2,1H3",C7H13Br,,,,,,QLHHQXZNXUUIRO-PLNGDYQASA-N,,,,,,,,,,,
100.092.719,302-038-6,94088-38-7,"2-(2-ethoxyethyl)-1,1'-biphenyl",2-(2-ethoxyethyl)biphenyl,CCOCCc1ccccc1c2ccccc2,CCOCCc1ccccc1c2ccccc2,"InChI=1/C16H18O/c1-2-17-13-12-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3",C16H18O,,,,,,HUCFUMWLYMWWHX-UHFFFAOYSA-N,,,,,,,,,,,
100.092.722,302-041-2,94088-41-2,"Sodium 2,3-dihydro-a-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulphonate","sodium (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(hydroxy)methanesulfonate",[Na+].CN1N(C(=O)C(=C1C)C(O)S(=O)(=O)[O-])c2ccccc2,[Na+].CN1N(C(=O)C(=C1C)C(O)S(=O)(=O)[O-])c2ccccc2,"InChI=1/C12H14N2O5S.Na/c1-8-10(12(16)20(17,18)19)11(15)14(13(8)2)9-6-4-3-5-7-9;/h3-7,12,16H,1-2H3,(H,17,18,19);/q;+1/p-1",C12H14N2O5S.Na,,,,,,QSWGFQRUXYZFIS-UHFFFAOYSA-M,,,,,,,,,,,
100.092.727,302-047-5,94088-46-7,2-fluoro-6-methoxybenzonitrile,2-fluoro-6-methoxybenzonitrile,COc1cccc(F)c1C#N,COc1cccc(F)c1C#N,"InChI=1/C8H6FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3",C8H6FNO,,,,,,YPMSIWYNTPSPMV-UHFFFAOYSA-N,,,,,,,,,,,
100.097.938,307-783-0,97752-21-1,"[2,2-bis[(3-methyl-2-butenyl)oxy]ethyl]benzene","{2,2-bis[(3-methylbut-2-en-1-yl)oxy]ethyl}benzene",CC(=CCOC(Cc1ccccc1)OCC=C(C)C)C,CC(=CCOC(Cc1ccccc1)OCC=C(C)C)C,"InChI=1/C18H26O2/c1-15(2)10-12-19-18(20-13-11-16(3)4)14-17-8-6-5-7-9-17/h5-11,18H,12-14H2,1-4H3",C18H26O2,,,,,,ZWVXIAOGGVPPSN-UHFFFAOYSA-N,,,,,,,,,,,
100.097.942,307-787-2,97752-25-5,"5,6,7,8,8-pentamethylnonan-4-ol","5,6,7,8,8-pentamethylnonan-4-ol",CCCC(O)C(C)C(C)C(C)C(C)(C)C,CCCC(O)C(C)C(C)C(C)C(C)(C)C,"InChI=1/C14H30O/c1-8-9-13(15)11(3)10(2)12(4)14(5,6)7/h10-13,15H,8-9H2,1-7H3",C14H30O,,,,,,JTSNBGFCLZFXNB-UHFFFAOYSA-N,,,,,,,,,,,
100.097.947,307-793-5,97752-30-2,3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium formate,3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium formate,COc1cc2nc3ccc(cc3[o+]c2cc1N)N(C)C.[O-]C=O,COc1cc2nc3ccc(cc3[o+]c2cc1N)N(C)C.[O-]C=O,"InChI=1/C15H16N3O2.CH2O2/c1-18(2)9-4-5-11-14(6-9)20-15-7-10(16)13(19-3)8-12(15)17-11;2-1-3/h4-8H,16H2,1-3H3;1H,(H,2,3)/q+1;/p-1",C15H16N3O2.CHO2,,,,,,LJDHQYUUYYDITB-UHFFFAOYSA-M,,,,,,,,,,,
100.097.948,307-794-0,97752-31-3,3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium acetate,3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium acetate,COc1cc2nc3ccc(cc3[o+]c2cc1N)N(C)C.CC(=O)[O-],COc1cc2nc3ccc(cc3[o+]c2cc1N)N(C)C.CC(=O)[O-],"InChI=1/C15H16N3O2.C2H4O2/c1-18(2)9-4-5-11-14(6-9)20-15-7-10(16)13(19-3)8-12(15)17-11;1-2(3)4/h4-8H,16H2,1-3H3;1H3,(H,3,4)/q+1;/p-1",C15H16N3O2.C2H3O2,,,,,,COOKROHGJIFEBD-UHFFFAOYSA-M,,,,,,,,,,,
100.097.956,307-802-2,97752-40-4,"2,2'-[ethylenebis[imino(3-ethoxy-4,1-phenylene)azo]]bis[3-methylthiazolium] sulphate","2,2'-{ethane-1,2-diylbis[imino(3-ethoxy-4,1-phenylene)diazene-2,1-diyl]}bis(3-methyl-1,3-thiazol-3-ium) sulfate",[O-]S([O-])(=O)=O.C[n+]4ccsc4N=Nc3ccc(NCCNc1ccc(cc1OCC)N=Nc2scc[n+]2C)c(OCC)c3,[O-]S([O-])(=O)=O.C[n+]4ccsc4N=Nc3ccc(NCCNc1ccc(cc1OCC)N=Nc2scc[n+]2C)c(OCC)c3,"InChI=1/C26H30N8O2S2.H2O4S/c1-5-35-23-17-19(29-31-25-33(3)13-15-37-25)7-9-21(23)27-11-12-28-22-10-8-20(18-24(22)36-6-2)30-32-26-34(4)14-16-38-26;1-5(2,3)4/h7-10,13-18H,5-6,11-12H2,1-4H3;(H2,1,2,3,4)",C26H32N8O2S2.O4S,,,,,,WWRWMNINCJHQAP-UHFFFAOYSA-N,,,,,,,,,,,
100.097.958,307-804-3,97763-70-7,"D-Gluconic acid, antimony(5+) sodium salt (1:1:1)",-,[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[SbH5+5],[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[SbH5+5],"InChI=1/C6H12O7.Na.Sb.5H/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;/h2-5,7-11H,1H2,(H,12,13);;;;;;;/q;+1;+5;;;;;/p-1/rC6H12O7.Na.H5Sb/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);;1H5/q;+1;+5/p-1",C6H12O7.Na.Sb,,,,,,RCMASBBVZSCCSU-BHXYKJCMSA-M,,,,,,,,,,,
100.097.960,307-806-4,97765-53-2,"6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium acetate","6-chloro-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,3-dimethyl-2,3-dihydro-1H-benzotriazol-1-ium acetate",[O-]C(C)=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23,[O-]C(C)=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23,"InChI=1/C19H22ClN7.C2H4O2/c1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;1-2(3)4/h6-9,12-13,24H,4-5,11H2,1-3H3;1H3,(H,3,4)",C19H21ClN7.C2H3O2,,,,,,NJJPJNVCILTDHV-UHFFFAOYSA-N,,,,,,,,,,,
100.099.066,309-035-9,99769-58-1,"[1-(hydroxymethyl)-2-[(1-oxohexadecyl)oxy]ethyl] hydrogen 2,3-diacetoxysuccinate","2,3-diacetoxy-4-{2-hydroxy-1-[(palmitoyloxy)methyl]ethoxy}-4-oxobutanoic acid",CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O,CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O,"InChI=1/C27H46O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-19-22(18-28)38-27(34)25(37-21(3)30)24(26(32)33)36-20(2)29/h22,24-25,28H,4-19H2,1-3H3,(H,32,33)",C27H46O11,,,,,,QVORAESNJZSAMB-UHFFFAOYSA-N,,,,,,,,,,,
100.099.071,309-041-1,99811-52-6,"Boric acid, methylcyclohexyl ester",1-methylcyclohexyl dihydrogen borate,CC1(CCCCC1)OB(O)O,CC1(CCCCC1)OB(O)O,"InChI=1/C7H15BO3/c1-7(11-8(9)10)5-3-2-4-6-7/h9-10H,2-6H2,1H3",-,,,,,,JBFDXICVFSHFSG-UHFFFAOYSA-N,,,,,,,,,,,
100.099.099,309-072-0,99886-25-6,9-stearyl-9-phosphabicyclo[3.3.1]nonane,9-octadecyl-9-phosphabicyclo[3.3.1]nonane,CCCCCCCCCCCCCCCCCCP1C2CCCC1CCC2,CCCCCCCCCCCCCCCCCCP1C2CCCC1CCC2,"InChI=1/C26H51P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-25-20-18-21-26(27)23-19-22-25/h25-26H,2-24H2,1H3",C26H51P,,,,,,CMTVKSLVXRIWBW-UHFFFAOYSA-N,,,,,,,,,,,
100.099.100,309-073-6,99886-26-7,9-stearyl-9-phosphabicyclo[4.2.1]nonane,9-octadecyl-9-phosphabicyclo[4.2.1]nonane,CCCCCCCCCCCCCCCCCCP1C2CCCCC1CC2,CCCCCCCCCCCCCCCCCCP1C2CCCCC1CC2,"InChI=1/C26H51P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-27-25-20-17-18-21-26(27)23-22-25/h25-26H,2-24H2,1H3",C26H51P,,,,,,RHBPCOITPOBTBL-UHFFFAOYSA-N,,,,,,,,,,,
100.099.103,309-076-2,99886-29-0,"3-(isopropyl)-a,<U+03B3>,<U+03B3>-trimethylcyclohexanepropanol",4-(3-isopropylcyclohexyl)-4-methylpentan-2-ol,CC(O)CC(C)(C)C1CCCC(C1)C(C)C,CC(O)CC(C)(C)C1CCCC(C1)C(C)C,"InChI=1/C15H30O/c1-11(2)13-7-6-8-14(9-13)15(4,5)10-12(3)16/h11-14,16H,6-10H2,1-5H3",C15H30O,,,,,,IQXYUFKOYXBUEK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.864,303-297-8,94160-15-3,1-(2-chloroethoxy)-4-dodecylbenzene,1-(2-chloroethoxy)-4-dodecylbenzene,CCCCCCCCCCCCc1ccc(OCCCl)cc1,CCCCCCCCCCCCc1ccc(OCCCl)cc1,"InChI=1/C20H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)22-18-17-21/h13-16H,2-12,17-18H2,1H3",C20H33ClO,,,,,,KFPRSDHSMFRDKN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.869,304-403-5,94265-97-1,"(R)-1,5-dimethyl-1-vinylhex-4-enyl propionate","1,5-dimethyl-1-vinylhex-4-en-1-yl propionate",CCC(=O)O[C@](C)(CCC=C(C)C)C=C,CCC(=O)O[C@](C)(CCC=C(C)C)C=C,"InChI=1/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3",C13H22O2,,,,,,WAQIIHCCEMGYKP-ZDUSSCGKSA-N,,,,,,,,,,,
100.093.872,303-306-5,94160-23-3,Diethylmethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,"N,N-diethyl-N-methyl-3-(stearoylamino)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CC)CC,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CC)CC,"InChI=1/C26H54N2O.ClH/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(29)27-24-22-25-28(4,6-2)7-3;/h5-25H2,1-4H3;1H",C26H55N2O.Cl,,,,,,AUSNCNLXNKNARV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.001,303-447-2,94199-73-2,Trisodium hydrogen [(heptylimino)bis(methylene)]bisphosphonate,trisodium hydrogen [(heptylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.3Na/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-4",C9H23NO6P2.3Na,,,,,,NQZPCVBNPUNFFT-UHFFFAOYSA-J,,,,,,,,,,,
100.094.002,303-448-8,94199-74-3,Tetrasodium [(heptylimino)bis(methylene)]bisphosphonate,tetrasodium [(heptylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.4Na/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;;;/q;4*+1/p-4",C9H23NO6P2.4Na,,,,,,DIUNZUCWUASXNY-UHFFFAOYSA-J,,,,,,,,,,,
100.094.003,303-449-3,94199-75-4,Disodium dihydrogen [(hexylimino)bis(methylene)]bisphosphonate,disodium dihydrogen [(hexylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H21NO6P2.2Na/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-4",C8H21NO6P2.2Na,,,,,,PQUYKULFIJUWQL-UHFFFAOYSA-J,,,,,,,,,,,
100.094.007,303-454-0,94199-79-8,Trisodium hydrogen [(propylimino)bis(methylene)]diphosphonate,trisodium hydrogen [(propylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.3Na/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4",C5H15NO6P2.3Na,,,,,,ANMFEKVFUBQZDV-UHFFFAOYSA-J,,,,,,,,,,,
100.094.024,303-472-9,94199-96-9,"Tris(2-hydroxyethyl)ammonium hydrogen (E,E)-hexa-2,4-dienedioate","2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium hydrogen hexa-2,4-dienedioate",OCC[NH+](CCO)CCO.[O-]C(=O)\\C=C\\C=C\\C(=O)[O-],OCC[NH+](CCO)CCO.[O-]C(=O)\C=C\C=C\C(=O)[O-],"InChI=1/C6H15NO3.C6H6O4/c8-4-1-7(2-5-9)3-6-10;7-5(8)3-1-2-4-6(9)10/h8-10H,1-6H2;1-4H,(H,7,8)(H,9,10)/p-1",C6H15NO3.C6H6O4,,,,,,OJHWWKSEHSBTQI-BZGZIVBQSA-M,,,,,,,,,,,
100.094.030,303-479-7,94200-03-0,"2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene-5-methanol",cedr-8-en-9-ylmethanol,CC1CCC2C(C)(C)C3CC12CC(=C3C)CO,CC1CCC2C(C)(C)C3CC12CC(=C3C)CO,"InChI=1/C16H26O/c1-10-5-6-14-15(3,4)13-8-16(10,14)7-12(9-17)11(13)2/h10,13-14,17H,5-9H2,1-4H3",C16H26O,,,,,,WYLDHPFSVIQOFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.349,306-035-0,95873-46-4,2-(2-butoxyethoxy)propanol,2-(2-butoxyethoxy)propan-1-ol,CCCCOCCOC(C)CO,CCCCOCCOC(C)CO,"InChI=1/C9H20O3/c1-3-4-5-11-6-7-12-9(2)8-10/h9-10H,3-8H2,1-2H3",C9H20O3,,,,,,XGSQEQCOQAAOHE-UHFFFAOYSA-N,,,,,,,,,,,
100.096.352,306-038-7,95873-49-7,"Sodium 1,2,10-tris(2-hydroxyethyl) 3-(3-hydroxynon-1-enyl)-1-sulphonatodecane-1,2,10-tricarboxylate",sodium 7-hydroxy-1-(2-hydroxyethoxy)-3-[(2-hydroxyethoxy)carbonyl]-4-[8-(2-hydroxyethoxy)-8-oxooctyl]-1-oxotridec-5-ene-2-sulfonate,[Na+].[O-]S(=O)(=O)C(C(C(CCCCCCCC(=O)OCCO)C=CC(O)CCCCCC)C(=O)OCCO)C(=O)OCCO,[Na+].[O-]S(=O)(=O)C(C(C(CCCCCCCC(=O)OCCO)C=CC(O)CCCCCC)C(=O)OCCO)C(=O)OCCO,"InChI=1/C28H50O13S.Na/c1-2-3-4-9-12-23(32)15-14-22(11-8-6-5-7-10-13-24(33)39-19-16-29)25(27(34)40-20-17-30)26(42(36,37)38)28(35)41-21-18-31;/h14-15,22-23,25-26,29-32H,2-13,16-21H2,1H3,(H,36,37,38);/q;+1/p-1",C28H50O13S.Na,,,,,,RMBNVWDXRIVOJE-UHFFFAOYSA-M,,,,,,,,,,,
100.096.362,306-049-7,95873-59-9,N-(6-aminohexyl)-4-hydroxybutyramide,N-(6-aminohexyl)-4-hydroxybutanamide,NCCCCCCNC(=O)CCCO,NCCCCCCNC(=O)CCCO,"InChI=1/C10H22N2O2/c11-7-3-1-2-4-8-12-10(14)6-5-9-13/h13H,1-9,11H2,(H,12,14)",C10H22N2O2,,,,,,JILGZWHZTWYFEL-UHFFFAOYSA-N,,,,,,,,,,,
100.096.366,306-053-9,95873-63-5,"N-[2-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]nicotinamide monohydrochloride","N-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}nicotinamide hydrochloride",Cl.O=C(NCC(=O)NC=2C(=O)N(c1ccccc1)N(C)C=2C)c3cccnc3,Cl.O=C(NCC(=O)NC=2C(=O)N(c1ccccc1)N(C)C=2C)c3cccnc3,"InChI=1/C19H19N5O3.ClH/c1-13-17(19(27)24(23(13)2)15-8-4-3-5-9-15)22-16(25)12-21-18(26)14-7-6-10-20-11-14;/h3-11H,12H2,1-2H3,(H,21,26)(H,22,25);1H",C19H19N5O3.ClH,,,,,,KUACECLRQMFTQS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.454,286-330-8,85204-34-8,"2-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]propionic acid",2-(4-tert-butyl-2-cyclopentylphenoxy)propanoic acid,CC(Oc1ccc(cc1C2CCCC2)C(C)(C)C)C(=O)O,CC(Oc1ccc(cc1C2CCCC2)C(C)(C)C)C(=O)O,"InChI=1/C18H26O3/c1-12(17(19)20)21-16-10-9-14(18(2,3)4)11-15(16)13-7-5-6-8-13/h9-13H,5-8H2,1-4H3,(H,19,20)",C18H26O3,,,,,,IIBQTSAECXHWKN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.457,286-333-4,85204-37-1,"Potassium sodium 2,2'-methylenebis[3,4,6-trichlorophenolate]","potassium sodium 2,2'-methylenebis(3,4,6-trichlorophenolate)",[Na+].[K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,[Na+].[K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,"InChI=1/C13H6Cl6O2.K.Na/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;;/h2-3,20-21H,1H2;;/q;2*+1/p-2",C13H6Cl6O2.K.Na,,,,,,XVLKPLNXFKHPPI-UHFFFAOYSA-L,,,,,,,,,,,
100.078.458,286-335-5,85204-38-2,"Potassium hydrogen 2,2'-methylenebis[3,4,6-trichlorophenolate]","hydrogen potassium 2,2'-methylenebis(3,4,6-trichlorophenolate)",[K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,[K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl,"InChI=1/C13H6Cl6O2.K/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;/h2-3,20-21H,1H2;/q;+1/p-2",C13H6Cl6O2.K,,,,,,XGVOFOZRVSYENO-UHFFFAOYSA-L,,,,,,,,,,,
100.078.464,286-341-8,85204-53-1,"Methyl 4-methyl-1-[7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-1H-1,2,4-triazolium sulphate","4-methyl-1-[7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-chromen-3-yl]-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate",COS(=O)(=O)[O-].CN1C[NH+](N=C1)C2=Cc3ccc(cc3OC2=O)n4nc(C)c(n4)c5ccccc5,COS(=O)(=O)[O-].CN1C[NH+](N=C1)C2=Cc3ccc(cc3OC2=O)n4nc(C)c(n4)c5ccccc5,"InChI=1/C21H18N6O2.CH4O4S/c1-14-20(15-6-4-3-5-7-15)24-27(23-14)17-9-8-16-10-18(21(28)29-19(16)11-17)26-13-25(2)12-22-26;1-5-6(2,3)4/h3-12H,13H2,1-2H3;1H3,(H,2,3,4)",C21H17N6O2.CH3O4S,,,,,,XJJFTRCTXKMBBY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.470,286-348-6,85222-96-4,"2-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]propionyl chloride",2-(4-tert-butyl-2-cyclopentylphenoxy)propanoyl chloride,CC(Oc1ccc(cc1C2CCCC2)C(C)(C)C)C(=O)Cl,CC(Oc1ccc(cc1C2CCCC2)C(C)(C)C)C(=O)Cl,"InChI=1/C18H25ClO2/c1-12(17(19)20)21-16-10-9-14(18(2,3)4)11-15(16)13-7-5-6-8-13/h9-13H,5-8H2,1-4H3",C18H25ClO2,,,,,,OIYHIUVLOGVVMI-UHFFFAOYSA-N,,,,,,,,,,,
100.078.472,286-350-7,85222-98-6,"4-chloro-2-(trifluoromethyl)benzenediazonium naphthalene-1,5-disulphonate (1:1)",-,[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].FC(F)(F)c3cc(Cl)ccc3[N+]#N,[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].FC(F)(F)c3cc(Cl)ccc3[N+]#N,"InChI=1/C10H8O6S2.C7H3ClF3N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;8-4-1-2-6(13-12)5(3-4)7(9,10)11/h1-6H,(H,11,12,13)(H,14,15,16);1-3H/q;+1/p-2",C10H7O6S2.C7H3ClF3N2,,,,,,DSBYCJMITTWHTD-UHFFFAOYSA-L,,,,,,,,,,,
100.078.474,286-352-8,85223-00-3,p-nitrobenzenediazonium p-chlorobenzenesulphonate,4-nitrobenzenediazonium 4-chlorobenzenesulfonate,[O-][N+](=O)c1ccc(cc1)[N+]#N.[O-]S(=O)(=O)c2ccc(Cl)cc2,[O-][N+](=O)c1ccc(cc1)[N+]#N.[O-]S(=O)(=O)c2ccc(Cl)cc2,"InChI=1/C6H5ClO3S.C6H4N3O2/c7-5-1-3-6(4-2-5)11(8,9)10;7-8-5-1-3-6(4-2-5)9(10)11/h1-4H,(H,8,9,10);1-4H/q;+1/p-1",C6H4ClO3S.C6H4N3O2,,,,,,WRJAJKKDHKWWLD-UHFFFAOYSA-M,,,,,,,,,,,
100.078.481,286-360-1,85223-07-0,"2-(5-chloro-2-methoxyphenyl)-N-[4-[[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide","2-(5-chloro-2-methoxyphenyl)-N-[4-({4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-3-hydroxy-2-naphthoyl}amino)phenyl]-1,3-dioxoisoindoline-5-carboxamide",O=C8c7cccc(N=Nc1c6ccccc6cc(c1O)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4C(=O)N(C(=O)c4c3)c5cc(Cl)ccc5OC)c7C(=O)c9ccccc89,O=C8c7cccc(N=Nc1c6ccccc6cc(c1O)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4C(=O)N(C(=O)c4c3)c5cc(Cl)ccc5OC)c7C(=O)c9ccccc89,"InChI=1/C47H28ClN5O8/c1-61-38-20-14-26(48)23-37(38)53-46(59)32-19-13-25(22-34(32)47(53)60)44(57)49-27-15-17-28(18-16-27)50-45(58)35-21-24-7-2-3-8-29(24)40(43(35)56)52-51-36-12-6-11-33-39(36)42(55)31-10-5-4-9-30(31)41(33)54/h2-23,56H,1H3,(H,49,57)(H,50,58)",C47H28ClN5O8,,,,,,PJACWBCCSMRVGN-UHFFFAOYSA-N,,,,,,,,,,,
100.078.483,286-362-2,85223-09-2,"1-[(7-chloro-1,9-dihydro-2-methyl-9-oxopyrazolo[5,1-b]quinazolin-3-yl)azo]anthraquinone","1-[(7-chloro-2-methyl-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazolin-3-yl)diazenyl]-9,10-anthraquinone",O=C5c4cccc(N=N\\C\\1=C(/C)NN2C(=O)c3cc(Cl)ccc3\\N=C/12)c4C(=O)c6ccccc56,O=C5c4cccc(N=N\C\1=C(/C)NN2C(=O)c3cc(Cl)ccc3\N=C/12)c4C(=O)c6ccccc56,"InChI=1/C25H14ClN5O3/c1-12-21(24-27-18-10-9-13(26)11-17(18)25(34)31(24)30-12)29-28-19-8-4-7-16-20(19)23(33)15-6-3-2-5-14(15)22(16)32/h2-11,30H,1H3",C25H14ClN5O3,,,,,,QGBYFSCNFMMNGU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.492,286-372-7,85223-18-3,"1-[[4-[[6'-(diethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine","6'-(diethylamino)-2'-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(CC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)S(=O)(=O)N5CCCC5)cc3C26OC(=O)c7ccccc67)c1,CCN(CC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)S(=O)(=O)N5CCCC5)cc3C26OC(=O)c7ccccc67)c1,"InChI=1/C34H33N3O5S/c1-3-36(4-2)25-14-17-29-32(22-25)41-31-18-13-24(21-30(31)34(29)28-10-6-5-9-27(28)33(38)42-34)35-23-11-15-26(16-12-23)43(39,40)37-19-7-8-20-37/h5-6,9-18,21-22,35H,3-4,7-8,19-20H2,1-2H3",C34H33N3O5S,,,,,,GRXCVVJOYQIUTP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.735,302-055-9,94088-54-7,"4,15,21,32,37,48-hexaoxa-1,18-diazabicyclo[16.16.16]pentacontane-5,14,22,31,38,47-hexone","4,15,21,32,37,48-hexaoxa-1,18-diazabicyclo[16.16.16]pentacontane-5,14,22,31,38,47-hexone",O=C1CCCCCCCCC(=O)OCCN2CCOC(=O)CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCC(=O)OCC2)CCO1,O=C1CCCCCCCCC(=O)OCCN2CCOC(=O)CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCC(=O)OCC2)CCO1,InChI=1/C42H72N2O12/c45-37-19-13-7-1-2-8-14-20-38(46)52-32-26-44-29-35-55-41(49)23-17-11-5-3-9-15-21-39(47)53-33-27-43(25-31-51-37)28-34-54-40(48)22-16-10-4-6-12-18-24-42(50)56-36-30-44/h1-36H2,C42H72N2O12,,,,,,LZUIHANWEHANCW-UHFFFAOYSA-N,,,,,,,,,,,
100.089.501,298-497-4,93805-16-4,"N-[5-[bis(3-phenylpropyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]acetamide","N-{5-[bis(3-phenylpropyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]phenyl}acetamide",Brc4cc(cc(c4N=Nc1ccc(cc1NC(C)=O)N(CCCc2ccccc2)CCCc3ccccc3)[N+]([O-])=O)[N+]([O-])=O,Brc4cc(cc(c4N=Nc1ccc(cc1NC(C)=O)N(CCCc2ccccc2)CCCc3ccccc3)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C32H31BrN6O5/c1-23(40)34-30-21-26(16-17-29(30)35-36-32-28(33)20-27(38(41)42)22-31(32)39(43)44)37(18-8-14-24-10-4-2-5-11-24)19-9-15-25-12-6-3-7-13-25/h2-7,10-13,16-17,20-22H,8-9,14-15,18-19H2,1H3,(H,34,40)",C32H31BrN6O5,,,,,,HOJCJDQEQDBSJL-UHFFFAOYSA-N,,,,,,,,,,,
100.089.502,298-499-5,93805-17-5,N-[3-[(3-phenylpropyl)amino]phenyl]acetamide,N-{3-[(3-phenylpropyl)amino]phenyl}acetamide,CC(=O)Nc1cccc(NCCCc2ccccc2)c1,CC(=O)Nc1cccc(NCCCc2ccccc2)c1,"InChI=1/C17H20N2O/c1-14(20)19-17-11-5-10-16(13-17)18-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13,18H,6,9,12H2,1H3,(H,19,20)",C17H20N2O,,,,,,WAWKQABTSMQFSD-UHFFFAOYSA-N,,,,,,,,,,,
100.089.506,298-504-0,93805-21-1,(tetrahydro-2-furyl)methyl isovalerate,tetrahydrofuran-2-ylmethyl 3-methylbutanoate,CC(C)CC(=O)OCC1CCCO1,CC(C)CC(=O)OCC1CCCO1,"InChI=1/C10H18O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h8-9H,3-7H2,1-2H3",C10H18O3,,,,,,JBXNPSNIQOJUOE-UHFFFAOYSA-N,,,,,,,,,,,
100.089.510,298-508-2,93805-25-5,"4-[2-(2-methoxyethoxy)ethoxy]benzene-1,3-diamine dihydrochloride","4-[2-(2-methoxyethoxy)ethoxy]benzene-1,3-diamine dihydrochloride",Cl.Cl.COCCOCCOc1ccc(N)cc1N,Cl.Cl.COCCOCCOc1ccc(N)cc1N,"InChI=1/C11H18N2O3.2ClH/c1-14-4-5-15-6-7-16-11-3-2-9(12)8-10(11)13;;/h2-3,8H,4-7,12-13H2,1H3;2*1H",C11H18N2O3.2ClH,,,,,,LVYLLCADFSAKDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.089.511,298-509-8,93805-26-6,Sodium 8-hydroxynaphthalene-2-sulphonate,sodium 8-hydroxynaphthalene-2-sulfonate,[Na+].Oc1cccc2ccc(cc12)S(=O)(=O)[O-],[Na+].Oc1cccc2ccc(cc12)S(=O)(=O)[O-],"InChI=1/C10H8O4S.Na/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1",C10H8O4S.xNa,,,,,,ZBTMSXYCGHGITD-UHFFFAOYSA-M,,,,,,,,,,,
100.090.985,300-130-0,93920-43-5,"Dodecaammonium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate","dodecaammonium [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C12H36N4O18P6.12H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);12*1H3",C12H36N4O18P6.12H3N,,,,,,YRCQNWPSUNAGBU-UHFFFAOYSA-N,,,,,,,,,,,
100.090.987,300-132-1,93920-45-7,Octasodium hexahydrogen [[(phosphonatomethyl)imino]bis[ethylene[(phosphonatomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonate,"octasodium hexahydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate (non-preferred name)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C15H44N5O21P7.8Na/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41;;;;;;;;/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41);;;;;;;;/q;8*+1/p-14",C15H44N5O21P7.8Na,,,,,,SHOUYMGNRPXZJG-UHFFFAOYSA-A,,,,,,,,,,,
100.091.399,300-585-5,93942-33-7,"4',5-dichloro-2-hydroxychalcone",3-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one,Oc1ccc(Cl)cc1\\C=C\\C(=O)c2ccc(Cl)cc2,Oc1ccc(Cl)cc1\C=C\C(=O)c2ccc(Cl)cc2,"InChI=1/C15H10Cl2O2/c16-12-4-1-10(2-5-12)14(18)7-3-11-9-13(17)6-8-15(11)19/h1-9,19H",C15H10Cl2O2,,,,,,FDICQHLLNKLPEY-XVNBXDOJSA-N,,,,,,,,,,,
100.091.400,300-586-0,93942-34-8,2-cyano-3-(diphenylamino)acrylamide,2-cyano-3-(diphenylamino)acrylamide,NC(=O)\\C(=C/N(c1ccccc1)c2ccccc2)\\C#N,NC(=O)\C(=C/N(c1ccccc1)c2ccccc2)\C#N,"InChI=1/C16H13N3O/c17-11-13(16(18)20)12-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12H,(H2,18,20)",C16H13N3O,,,,,,HYQLALBKHYJQKD-SEYXRHQNSA-N,,,,,,,,,,,
100.091.403,300-589-7,93942-37-1,Dimethyl(2-phenoxyethyl)(2-thienylmethyl)ammonium chloride,"N,N-dimethyl-2-phenoxy-N-(2-thienylmethyl)ethanaminium chloride",[Cl-].C[N+](C)(CCOc1ccccc1)Cc2cccs2,[Cl-].C[N+](C)(CCOc1ccccc1)Cc2cccs2,"InChI=1/C15H20NOS.ClH/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;/h3-9,12H,10-11,13H2,1-2H3;1H/q+1;/p-1",C15H20NOS.Cl,,,,,,CGSVCNBINHWWFW-UHFFFAOYSA-M,,,,,,,,,,,
100.099.114,309-088-8,99948-80-8,"1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium dihydrogen phosphate","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolinium dihydrogen phosphate",COc1ccc(CC2=[NH+]CCc3cc(OC)c(OC)cc23)cc1OC.[O-]P(=O)([O-])[O-],COc1ccc(CC2=[NH+]CCc3cc(OC)c(OC)cc23)cc1OC.[O-]P(=O)([O-])[O-],"InChI=1/C20H23NO4.H3O4P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2,3)4/h5-6,10-12H,7-9H2,1-4H3;(H3,1,2,3,4)/p-2",C20H23NO4.H3O4P,,,,,,AUHDGLOATXLEDD-UHFFFAOYSA-L,,,,,,,,,,,
100.099.116,309-090-9,99948-82-0,(2-hydroxyethyl)oleoylammonium acetate,N-(2-hydroxyethyl)-1-oxooctadec-9-en-1-aminium acetate,CCCCCCCC\\C=C/CCCCCCCC(=O)[NH2+]CCO.CC(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)[NH2+]CCO.CC(=O)[O-],"InChI=1/C20H39NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22;1-2(3)4/h9-10,22H,2-8,11-19H2,1H3,(H,21,23);1H3,(H,3,4)",C20H39NO2.C2H4O2,,,,,,UFTUDXHSYMWWEG-KVVVOXFISA-N,,,,,,,,,,,
100.099.117,309-091-4,99948-83-1,"1,2-didodecylbenzene","1,2-didodecylbenzene",CCCCCCCCCCCCc1ccccc1CCCCCCCCCCCC,CCCCCCCCCCCCc1ccccc1CCCCCCCCCCCC,"InChI=1/C30H54/c1-3-5-7-9-11-13-15-17-19-21-25-29-27-23-24-28-30(29)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3",C30H54,,,,,,WJECKFZULSWXPN-UHFFFAOYSA-N,,,,,,,,,,,
100.099.118,309-093-5,99948-84-2,Dipotassium pentadecyl phosphate,dipotassium pentadecyl phosphate,[K+].[K+].CCCCCCCCCCCCCCCOP(=O)([O-])[O-],[K+].[K+].CCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C15H33O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;;/h2-15H2,1H3,(H2,16,17,18);;/q;2*+1/p-2",C15H33O4P.2K,,,,,,MQYUJGGCLVBWLF-UHFFFAOYSA-L,,,,,,,,,,,
100.099.121,309-096-1,99948-87-5,"8-(1-ethoxyethoxy)-2,6-dimethyloct-1-ene","8-(1-ethoxyethoxy)-2,6-dimethyloct-1-ene",CCOC(C)OCCC(C)CCCC(=C)C,CCOC(C)OCCC(C)CCCC(=C)C,"InChI=1/C14H28O2/c1-6-15-14(5)16-11-10-13(4)9-7-8-12(2)3/h13-14H,2,6-11H2,1,3-5H3",C14H28O2,,,,,,YKUFXXRBFCCEKW-UHFFFAOYSA-N,,,,,,,,,,,
100.096.008,305-655-9,94944-78-2,"5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl methanesulphonate","5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl methanesulfonate",Cc1c2ccncc2c(C)c3c4cc(OS(=O)(=O)C)ccc4[nH]c13,Cc1c2ccncc2c(C)c3c4cc(OS(=O)(=O)C)ccc4[nH]c13,"InChI=1/C18H16N2O3S/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(23-24(3,21)22)4-5-16(14)20-18/h4-9,20H,1-3H3",C17H14N2O.CH4O3S,,,,,,DYCGGXLDHJHKRD-UHFFFAOYSA-N,,,,,,,,,,,
100.096.013,305-661-1,94944-83-9,"2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, monosodium salt","sodium 4-hydroxy-5-{[4-({4-[(2-hydroxyethyl)amino]-6-({5-hydroxy-6-[(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfo-2-naphthyl}amino)-1,3,5-triazin-2-yl}amino)-5-methoxy-2-methylphenyl]diazenyl}-7-sulfonaphthalene-2-sulfonate",[Na+].OS(=O)(=O)c7cc(N=Nc2c(cc1cc(ccc1c2O)Nc3nc(nc(NCCO)n3)Nc6cc(C)c(N=Nc5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S(O)(=O)=O)cc6OC)S(O)(=O)=O)c(OC)cc7,[Na+].OS(=O)(=O)c7cc(N=Nc2c(cc1cc(ccc1c2O)Nc3nc(nc(NCCO)n3)Nc6cc(C)c(N=Nc5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S(O)(=O)=O)cc6OC)S(O)(=O)=O)c(OC)cc7,"InChI=1/C40H36N10O17S4.Na/c1-19-10-28(33(67-3)18-27(19)47-49-30-16-24(69(57,58)59)12-21-13-25(70(60,61)62)17-31(52)35(21)30)43-40-45-38(41-8-9-51)44-39(46-40)42-22-4-6-26-20(11-22)14-34(71(63,64)65)36(37(26)53)50-48-29-15-23(68(54,55)56)5-7-32(29)66-2;/h4-7,10-18,51-53H,8-9H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H3,41,42,43,44,45,46);/q;+1/p-1",C40H36N10O17S4.Na,,,,,,BGQLUASPGGDDJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.096.074,305-728-5,95009-00-0,"Azelaic acid, compound with (Z)-2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazole-1-ethanol","nonanedioic acid - 2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC1=NCCN1CCO.OC(=O)CCCCCCCC(=O)O,CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCO.OC(=O)CCCCCCCC(=O)O,"InChI=1/C22H42N2O.C9H16O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;10-8(11)6-4-2-1-3-5-7-9(12)13/h9-10,25H,2-8,11-21H2,1H3;1-7H2,(H,10,11)(H,12,13)",C22H42N2O.xC9H16O4,,,,,,ROVKKEPIAHWYLT-KVVVOXFISA-N,,,,,,,,,,,
100.099.593,309-624-0,100432-50-6,"Rhodium(3+) 2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiolate","rhodium(3+) tris(2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiolate)",[Rh+3].CC1(C)C2CCC(C)([S-])C1C2.CC3(C)C4CCC(C)([S-])C3C4.CC5(C)C6CCC(C)([S-])C5C6,[Rh+3].CC1(C)C2CCC(C)([S-])C1C2.CC3(C)C4CCC(C)([S-])C3C4.CC5(C)C6CCC(C)([S-])C5C6,"InChI=1/3C10H18S.Rh/c3*1-9(2)7-4-5-10(3,11)8(9)6-7;/h3*7-8,11H,4-6H2,1-3H3;/q;;;+3/p-3",C10H18S.1/3Rh,,,,,,IBCXUHINDDQPEW-UHFFFAOYSA-K,,,,,,,,,,,
100.097.860,307-697-3,97692-44-9,5-ethyl-4-(isopropyl)-2-(isopropylidene)-5-methylcyclohexan-1-one,5-ethyl-4-isopropyl-2-isopropylidene-5-methylcyclohexanone,CCC1(C)CC(=O)C(=C(C)C)CC1C(C)C,CCC1(C)CC(=O)C(=C(C)C)CC1C(C)C,"InChI=1/C15H26O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h11,13H,7-9H2,1-6H3",C15H26O,,,,,,CLVSCAKIBKSJQX-UHFFFAOYSA-N,,,,,,,,,,,
100.097.627,307-441-0,97659-37-5,2-methylbutyl (4-chloro-2-methylphenoxy)acetate,2-methylbutyl (4-chloro-2-methylphenoxy)acetate,CCC(C)COC(=O)COc1ccc(Cl)cc1C,CCC(C)COC(=O)COc1ccc(Cl)cc1C,"InChI=1/C14H19ClO3/c1-4-10(2)8-18-14(16)9-17-13-6-5-12(15)7-11(13)3/h5-7,10H,4,8-9H2,1-3H3",C14H19ClO3,,,,,,LTPSLOILDMNPRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.863,307-700-8,97692-47-2,Bis(2-hydroxyethyl)methyl(octadec-9-enyl)ammonium methyl sulphate,N-[3-hydroxy-1-(2-hydroxyethyl)propyl]octadec-9-en-1-aminium methyl sulfate,OCCC([NH2+]CCCCCCCCC=CCCCCCCCC)CCO.[O-]S(=O)(=O)OC,OCCC([NH2+]CCCCCCCCC=CCCCCCCCC)CCO.[O-]S(=O)(=O)OC,"InChI=1/C23H47NO2.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(18-21-25)19-22-26;1-5-6(2,3)4/h9-10,23-26H,2-8,11-22H2,1H3;1H3,(H,2,3,4)",C23H48NO2.CH3O4S,,,,,,GITASUKBZBVXHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.369,306-057-0,95873-66-8,[4-(formyloxy)cyclopent-2-enyl]methyl formate,[4-(formyloxy)cyclopent-2-en-1-yl]methyl formate,O=COCC1CC(OC=O)C=C1,O=COCC1CC(OC=O)C=C1,"InChI=1/C8H10O4/c9-5-11-4-7-1-2-8(3-7)12-6-10/h1-2,5-8H,3-4H2",C8H10O4,,,,,,MEPOSOVTGFPBQX-UHFFFAOYSA-N,,,,,,,,,,,
100.097.876,307-714-4,97718-55-3,"Ethyl hydrogen trans-cyclohexane-1,2-dicarboxylate",2-(ethoxycarbonyl)cyclohexanecarboxylic acid,CCOC(=O)[C@H]1CCCC[C@@H]1C(=O)O,CCOC(=O)[C@H]1CCCC[C@@H]1C(=O)O,"InChI=1/C10H16O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)",C10H16O4,,,,,,XGRJGTBLDJAHTL-YUMQZZPRSA-N,,,,,,,,,,,
100.097.877,307-716-5,97721-70-5,[4-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]-2-hydroxyphenyl] phenyl ketone,(4-{3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy}-2-hydroxyphenyl)(phenyl)methanone,CCCCC(CC)COCC(O)COc1ccc(C(=O)c2ccccc2)c(O)c1,CCCCC(CC)COCC(O)COc1ccc(C(=O)c2ccccc2)c(O)c1,"InChI=1/C24H32O5/c1-3-5-9-18(4-2)15-28-16-20(25)17-29-21-12-13-22(23(26)14-21)24(27)19-10-7-6-8-11-19/h6-8,10-14,18,20,25-26H,3-5,9,15-17H2,1-2H3",C24H32O5,,,,,,YBLOFDISPDJCKP-UHFFFAOYSA-N,,,,,,,,,,,
100.096.144,305-804-8,95027-08-0,"5-oxo-L-proline, compound with (8a,9R)-10,11-dihydro-6'-methoxycinchonan-9-ol (1:1)","5-oxo-L-proline - 6'-methoxy-10,11-dihydrocinchonan-9-ol (1:1)",CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34.OC(=O)[C@@H]5CCC(=O)N5,CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34.OC(=O)[C@@H]5CCC(=O)N5,"InChI=1/C20H26N2O2.C5H7NO3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-4-2-1-3(6-4)5(8)9/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C20H26N2O2.C5H7NO3,,,,,,NCNGEXPBYJDASD-FMOUBYBUSA-N,,,,,,,,,,,
100.096.148,305-809-5,95046-21-2,"Ethyl docosa-4,8,12,15,19-pentaenoate","ethyl docosa-4,8,12,15,19-pentaenoate",CCOC(=O)CCC=CCCC=CCCC=CCC=CCCC=CCC,CCOC(=O)CCC=CCCC=CCCC=CCC=CCCC=CCC,"InChI=1/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,9-10,12-13,16-17,20-21H,3-4,7-8,11,14-15,18-19,22-23H2,1-2H3",C24H38O2,,,,,,BKTFPFLATXHRMR-UHFFFAOYSA-N,,,,,,,,,,,
100.096.154,305-815-8,95046-27-8,"2,4-dichlorophenol, compound with 2-aminoethanol (1:1)","2,4-dichlorophenol - 2-aminoethanol (1:1)",NCCO.Oc1ccc(Cl)cc1Cl,NCCO.Oc1ccc(Cl)cc1Cl,"InChI=1/C6H4Cl2O.C2H7NO/c7-4-1-2-6(9)5(8)3-4;3-1-2-4/h1-3,9H;4H,1-3H2",C6H4Cl2O.C2H7NO,,,,,,DZCFBGGJVGCOFT-UHFFFAOYSA-N,,,,,,,,,,,
100.096.160,305-822-6,95046-34-7,"2-(1-methyldecyl)-1,3-dioxolane","2-(1-methyldecyl)-1,3-dioxolane",CCCCCCCCCC(C)C1OCCO1,CCCCCCCCCC(C)C1OCCO1,"InChI=1/C14H28O2/c1-3-4-5-6-7-8-9-10-13(2)14-15-11-12-16-14/h13-14H,3-12H2,1-2H3",C14H28O2,,,,,,OXVIAYBRQYALJP-UHFFFAOYSA-N,,,,,,,,,,,
100.097.944,307-789-3,97752-27-7,2-methylbutyl (E)-(-)-2-methylisocrotonate,2-methylbutyl 2-methylbut-2-enoate,CCC(C)COC(=O)\\C(=C\\C)\\C,CCC(C)COC(=O)\C(=C\C)\C,"InChI=1/C10H18O2/c1-5-8(3)7-12-10(11)9(4)6-2/h6,8H,5,7H2,1-4H3",C10H18O2,,,,,,DEJJNOHKWLTTKE-RMKNXTFCSA-N,,,,,,,,,,,
100.097.945,307-790-9,97752-28-8,"(2E,6Z)-nona-2,6-dienenitrile","nona-2,6-dienenitrile",CC\\C=C/CC\\C=C\\C#N,CC\C=C/CC\C=C\C#N,"InChI=1/C9H13N/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8H,2,5-6H2,1H3",C9H13N,,,,,,DSOXXQLCMAEPEZ-ODYTWBPASA-N,,,,,,,,,,,
100.097.949,307-795-6,97752-32-4,"6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium formate","6-chloro-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,3-dimethyl-2,3-dihydro-1H-benzotriazol-1-ium formate",[O-]C=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23,[O-]C=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23,"InChI=1/C19H22ClN7.CH2O2/c1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;2-1-3/h6-9,12-13,24H,4-5,11H2,1-3H3;1H,(H,2,3)",C19H21ClN7.CHO2,,,,,,OXDQSZNXYBCFNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.099.062,309-031-7,99769-54-7,"N-(5-hexenyl)nonane-1,9-diamide",N-hex-5-en-1-ylnonanediamide,NC(=O)CCCCCCCC(=O)NCCCCC=C,NC(=O)CCCCCCCC(=O)NCCCCC=C,"InChI=1/C15H28N2O2/c1-2-3-4-10-13-17-15(19)12-9-7-5-6-8-11-14(16)18/h2H,1,3-13H2,(H2,16,18)(H,17,19)",C15H28N2O2,,,,,,BJBODOVMLCDGOC-UHFFFAOYSA-N,,,,,,,,,,,
100.099.064,309-033-8,99769-56-9,[(4-methylenecyclohexyl)methyl] hydrogen succinate,4-[(4-methylenecyclohexyl)methoxy]-4-oxobutanoic acid,OC(=O)CCC(=O)OCC1CCC(=C)CC1,OC(=O)CCC(=O)OCC1CCC(=C)CC1,"InChI=1/C12H18O4/c1-9-2-4-10(5-3-9)8-16-12(15)7-6-11(13)14/h10H,1-8H2,(H,13,14)",C12H18O4,,,,,,AGRYPKJDKAJCRL-UHFFFAOYSA-N,,,,,,,,,,,
100.099.067,309-036-4,99769-59-2,"[1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] hydrogen 2,3-diacetoxysuccinate","2,3-diacetoxy-4-{2-hydroxy-1-[(stearoyloxy)methyl]ethoxy}-4-oxobutanoic acid",CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O,"InChI=1/C29H50O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(33)37-21-24(20-30)40-29(36)27(39-23(3)32)26(28(34)35)38-22(2)31/h24,26-27,30H,4-21H2,1-3H3,(H,34,35)",C29H50O11,,,,,,BSNLCQCLNQFWST-UHFFFAOYSA-N,,,,,,,,,,,
100.099.072,309-042-7,99811-53-7,"Boric acid, phenylmethyl ester",benzyl dihydrogen borate,OB(O)OCc1ccccc1,OB(O)OCc1ccccc1,"InChI=1/C7H9BO3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,9-10H,6H2",-,,,,,,CTXKJNCPTVBAAU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.494,286-374-8,85223-20-7,"2'-anilino-6'-(dibutylamino)-3'-methoxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-6'-(dibutylamino)-3'-methoxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCN(CCCC)c1ccc2c(Oc3cc(OC)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,CCCCN(CCCC)c1ccc2c(Oc3cc(OC)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1,"InChI=1/C35H36N2O4/c1-4-6-19-37(20-7-5-2)25-17-18-28-31(21-25)40-32-23-33(39-3)30(36-24-13-9-8-10-14-24)22-29(32)35(28)27-16-12-11-15-26(27)34(38)41-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3",C35H36N2O4,,,,,,KYEZYEYYNOJEDM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.497,286-377-4,85223-23-0,"1-[[4-[[6'-(dibutylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine","6'-(dibutylamino)-2'-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCCCN(CCCC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)S(=O)(=O)N5CCCC5)cc3C26OC(=O)c7ccccc67)c1,CCCCN(CCCC)c1ccc2c(Oc3ccc(Nc4ccc(cc4)S(=O)(=O)N5CCCC5)cc3C26OC(=O)c7ccccc67)c1,"InChI=1/C38H41N3O5S/c1-3-5-21-40(22-6-4-2)29-16-19-33-36(26-29)45-35-20-15-28(25-34(35)38(33)32-12-8-7-11-31(32)37(42)46-38)39-27-13-17-30(18-14-27)47(43,44)41-23-9-10-24-41/h7-8,11-20,25-26,39H,3-6,9-10,21-24H2,1-2H3",C38H41N3O5S,,,,,,ODNOWXBNFWKWGC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.616,288-709-3,85866-07-5,"Decahydro-7-methyl-1,4-methanonaphthalen-6-ol","7-methyldecahydro-1,4-methanonaphthalen-6-ol",CC1CC2C3CCC(C3)C2CC1O,CC1CC2C3CCC(C3)C2CC1O,"InChI=1/C12H20O/c1-7-4-10-8-2-3-9(5-8)11(10)6-12(7)13/h7-13H,2-6H2,1H3",C12H20O,,,,,,RJNIZQGVDMOFKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.621,288-715-6,85866-12-2,"2,6,10-trimethyl-5,9-cyclododecadien-1-ol","4,8,12-trimethylcyclododeca-4,8-dien-1-ol",CC1CC\\C=C(/C)\\CC\\C=C(/C)\\CCC1O,CC1CC\C=C(/C)\CC\C=C(/C)\CCC1O,"InChI=1/C15H26O/c1-12-6-4-7-13(2)10-11-15(16)14(3)9-5-8-12/h7-8,14-16H,4-6,9-11H2,1-3H3",C15H26O,,,,,,MLYZWHCGBPQVKA-SWZPTJTJSA-N,,,,,,,,,,,
100.078.650,286-545-7,85252-28-4,"(Z)-octadec-9-enylamine, compound with 2-hydroxy-5,6-ditetradecyl-1,3,2-benzodioxaborole (1:1)","5,6-ditetradecyl-1,3,2-benzodioxaborol-2-ol - octadec-9-en-1-amine (1:1)",CCCCCCCCCCCCCCc1cc2OB(O)Oc2cc1CCCCCCCCCCCCCC.CCCCCCCC\\C=C/CCCCCCCCN,CCCCCCCCCCCCCCc1cc2OB(O)Oc2cc1CCCCCCCCCCCCCC.CCCCCCCC\C=C/CCCCCCCCN,"InChI=1/C34H61BO3.C18H37N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33-34(38-35(36)37-33)30-32(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h29-30,36H,3-28H2,1-2H3;9-10H,2-8,11-19H2,1H3",C34H61BO3.C18H37N,,,,,,OGYZXBZFYILFAN-SVMKZPJVSA-N,,,,,,,,,,,
100.078.651,286-546-2,85252-29-5,"4,5-ditetradecylpyrocatechol","4,5-ditetradecylbenzene-1,2-diol",CCCCCCCCCCCCCCc1cc(O)c(O)cc1CCCCCCCCCCCCCC,CCCCCCCCCCCCCCc1cc(O)c(O)cc1CCCCCCCCCCCCCC,"InChI=1/C34H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33(35)34(36)30-32(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,35-36H,3-28H2,1-2H3",C34H62O2,,,,,,OMODHVXQNAUNEM-UHFFFAOYSA-N,,,,,,,,,,,
100.078.660,286-556-7,85269-32-5,"2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[2-[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-4-hydroxy-, potassium salt, compd. with 2,2',2''-nitrilotris[ethanol]","potassium 5-amino-3-{[4-(2-{4-[(7-amino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]-2-sulfophenyl}vinyl)-3-sulfophenyl]diazenyl}-4-hydroxy-7-sulfonaphthalene-2-sulfonate - 2,2',2''-nitrilotriethanol (1:1)",[K+].OCCN(CCO)CCO.OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc5ccc(C=Cc2ccc(cc2S(O)(=O)=O)N=Nc4c(cc3cc(cc(N)c3c4O)S(O)(=O)=O)S([O-])(=O)=O)c(c5)S(O)(=O)=O,[K+].OCCN(CCO)CCO.OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc5ccc(C=Cc2ccc(cc2S(O)(=O)=O)N=Nc4c(cc3cc(cc(N)c3c4O)S(O)(=O)=O)S([O-])(=O)=O)c(c5)S(O)(=O)=O,"InChI=1/C34H26N6O17S5.C6H15NO3.K/c35-20-6-3-18-10-28(61(52,53)54)31(33(41)24(18)12-20)39-37-21-7-4-16(26(13-21)59(46,47)48)1-2-17-5-8-22(14-27(17)60(49,50)51)38-40-32-29(62(55,56)57)11-19-9-23(58(43,44)45)15-25(36)30(19)34(32)42;8-4-1-7(2-5-9)3-6-10;/h1-15,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);8-10H,1-6H2;/q;;+1/p-1",C34H26N6O17S5.xC6H15NO3.xK,,,,,,XCBXFHLLTWOMSC-UHFFFAOYSA-M,,,,,,,,,,,
100.078.662,286-558-8,85269-34-7,"(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl acrylate","(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl acrylate",CCC1(COC(=O)C=C)COC(C)(C)OC1,CCC1(COC(=O)C=C)COC(C)(C)OC1,"InChI=1/C12H20O4/c1-5-10(13)14-7-12(6-2)8-15-11(3,4)16-9-12/h5H,1,6-9H2,2-4H3",C12H20O4,,,,,,WVGMRRVFEUTSKN-UHFFFAOYSA-N,,,,,,,,,,,
100.082.171,290-423-9,90146-03-5,7-methoxy-3-(6-methoxybenzothiazol-2-yl)-2-oxo-2H-1-benzopyran-4-carbonitrile,"7-methoxy-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-2H-chromene-4-carbonitrile",COc1ccc2C(=C(C(=O)Oc2c1)c3nc4ccc(OC)cc4s3)C#N,COc1ccc2C(=C(C(=O)Oc2c1)c3nc4ccc(OC)cc4s3)C#N,"InChI=1/C19H12N2O4S/c1-23-10-3-5-12-13(9-20)17(19(22)25-15(12)7-10)18-21-14-6-4-11(24-2)8-16(14)26-18/h3-8H,1-2H3",C19H12N2O4S,,,,,,IENYPDXEIIYLQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.082.173,290-426-5,90147-01-6,"N2,N2-dimethyl-N6-(1-oxooctadecyl)-L-lysine","N~2~,N~2~-dimethyl-N~6~-stearoyl-L-lysine",CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N(C)C)C(=O)O,"InChI=1/C26H52N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)27-23-20-19-21-24(26(30)31)28(2)3/h24H,4-23H2,1-3H3,(H,27,29)(H,30,31)",C26H52N2O3,,,,,,XVIVXOVYFNKPJB-DEOSSOPVSA-N,,,,,,,,,,,
100.083.959,292-389-0,90604-92-5,"D-Glucitol, phosphate",1-O-phosphonato-D-glucitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-],OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-],"InChI=1/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2",-,,,,,,GACTWZZMVMUKNG-JGWLITMVSA-L,,,,,,,,,,,
100.091.412,300-599-1,93942-46-2,2-methyl-1-o-tolylpent-1-en-3-one,2-methyl-1-(2-methylphenyl)pent-1-en-3-one,CC(=Cc1ccccc1C)C(=O)CC,CC(=Cc1ccccc1C)C(=O)CC,"InChI=1/C13H16O/c1-4-13(14)11(3)9-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3",C13H16O,,,,,,KGBNACBNXFDCAY-UHFFFAOYSA-N,,,,,,,,,,,
100.091.414,300-601-0,93942-48-4,1-[5-isopropyl-2-methylphenyl]-2-buten-1-one,1-(5-isopropyl-2-methylphenyl)but-2-en-1-one,O=C(C=CC)c1cc(ccc1C)C(C)C,O=C(C=CC)c1cc(ccc1C)C(C)C,"InChI=1/C14H18O/c1-5-6-14(15)13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3",C14H18O,,,,,,LKGGURDBIFFQGN-UHFFFAOYSA-N,,,,,,,,,,,
100.091.416,300-603-1,93942-50-8,1-(5-isopropyl-2-methyl-1-cyclohexen-1-yl)-2-buten-1-one,1-(5-isopropyl-2-methylcyclohex-1-en-1-yl)but-2-en-1-one,CC=1CCC(CC=1C(=O)C=CC)C(C)C,CC=1CCC(CC=1C(=O)C=CC)C(C)C,"InChI=1/C14H22O/c1-5-6-14(15)13-9-12(10(2)3)8-7-11(13)4/h5-6,10,12H,7-9H2,1-4H3",C14H22O,,,,,,PIRRESNWUUEAOS-UHFFFAOYSA-N,,,,,,,,,,,
100.091.419,300-606-8,93942-53-1,"ß-methyl-a,a-diphenylpiperidine-1-butyronitrile monohydrochloride","3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile hydrochloride",Cl.CC(CN1CCCCC1)C(C#N)(c2ccccc2)c3ccccc3,Cl.CC(CN1CCCCC1)C(C#N)(c2ccccc2)c3ccccc3,"InChI=1/C22H26N2.ClH/c1-19(17-24-15-9-4-10-16-24)22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21;/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3;1H",C22H26N2.ClH,,,,,,APXMUEMRZCMOJH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.423,300-611-5,93942-57-5,"(2,3-dichlorophenyl)oxophenylacetic acid","(2',3'-dichlorobiphenyl-2-yl)(oxo)acetic acid",OC(=O)C(=O)c1ccccc1c2cccc(Cl)c2Cl,OC(=O)C(=O)c1ccccc1c2cccc(Cl)c2Cl,"InChI=1/C14H8Cl2O3/c15-11-7-3-6-9(12(11)16)8-4-1-2-5-10(8)13(17)14(18)19/h1-7H,(H,18,19)",C8H4Cl2O3,,,,,,DOOTZRZHTNHQET-UHFFFAOYSA-N,,,,,,,,,,,
100.091.424,300-612-0,93942-58-6,Diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate,"ethyl 5-amino-3-C-cyclohexyl-2,4,5-trideoxy-2-(7-ethoxy-7-oxoheptyl)pentonate",CCOC(=O)CCCCCCC(C(=O)OCC)C(O)(CCN)C1CCCCC1,CCOC(=O)CCCCCCC(C(=O)OCC)C(O)(CCN)C1CCCCC1,"InChI=1/C22H41NO5/c1-3-27-20(24)15-11-6-5-10-14-19(21(25)28-4-2)22(26,16-17-23)18-12-8-7-9-13-18/h18-19,26H,3-17,23H2,1-2H3",C22H41NO5,,,,,,CDYSXCIYAMJFMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.425,300-613-6,93942-59-7,Diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate hydrochloride,"ethyl 5-amino-3-C-cyclohexyl-2,4,5-trideoxy-2-(7-ethoxy-7-oxoheptyl)pentonate hydrochloride",Cl.CCOC(=O)CCCCCCC(C(=O)OCC)C(O)(CCN)C1CCCCC1,Cl.CCOC(=O)CCCCCCC(C(=O)OCC)C(O)(CCN)C1CCCCC1,"InChI=1/C22H41NO5.ClH/c1-3-27-20(24)15-11-6-5-10-14-19(21(25)28-4-2)22(26,16-17-23)18-12-8-7-9-13-18;/h18-19,26H,3-17,23H2,1-2H3;1H",C22H41NO5.ClH,,,,,,JDIVGTFXSZSPOA-UHFFFAOYSA-N,,,,,,,,,,,
100.091.427,300-615-7,93942-61-1,"1-(2,3-dichlorophenyl)ethan-1-one oxime","1-(2,3-dichlorophenyl)ethanone oxime",Clc1c(cccc1Cl)C(C)=NO,Clc1c(cccc1Cl)C(C)=NO,"InChI=1/C8H7Cl2NO/c1-5(11-12)6-3-2-4-7(9)8(6)10/h2-4,12H,1H3",C8H7Cl2NO,,,,,,RZRLUSUIHLPOJK-UHFFFAOYSA-N,,,,,,,,,,,
100.091.431,300-619-9,93942-65-5,"5-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","5-[(4-chloro-6-{[5-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]amino}-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Clc7nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc6cc(Nc5nc(Nc4cccc(c4)S(O)(=O)=O)nc(Cl)n5)ccc6S(O)(=O)=O)n7,Clc7nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(Nc6cc(Nc5nc(Nc4cccc(c4)S(O)(=O)=O)nc(Cl)n5)ccc6S(O)(=O)=O)n7,"InChI=1/C34H24Cl2N12O16S5/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-24(68(59,60)61)21(13-17)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-20-6-1-2-7-23(20)67(56,57)58/h1-14,49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46)",C34H24Cl2N12O16S5,,,,,,YEKQENVJJJUIDH-UHFFFAOYSA-N,,,,,,,,,,,
100.091.434,300-623-0,93942-68-8,[2-hydroxy-3-(tetradecyloxy)propyl]dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride,"2-hydroxy-N-[2-(methacryloyloxy)ethyl]-N,N-dimethyl-3-(tetradecyloxy)propan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCOCC(O)C[N+](C)(C)CCOC(=O)C(=C)C,[Cl-].CCCCCCCCCCCCCCOCC(O)C[N+](C)(C)CCOC(=O)C(=C)C,"InChI=1/C25H50NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-29-22-24(27)21-26(4,5)18-20-30-25(28)23(2)3;/h24,27H,2,6-22H2,1,3-5H3;1H/q+1;/p-1",C25H50NO4.Cl,,,,,,ZLILYVWPKRFJEQ-UHFFFAOYSA-M,,,,,,,,,,,
100.091.436,300-625-1,93942-70-2,1-methylvinyl methacrylate,isopropenyl methacrylate,CC(=C)OC(=O)C(=C)C,CC(=C)OC(=O)C(=C)C,"InChI=1/C7H10O2/c1-5(2)7(8)9-6(3)4/h1,3H2,2,4H3",C7H10O2,,,,,,PKFBISBCCISXKA-UHFFFAOYSA-N,,,,,,,,,,,
100.089.521,298-520-8,93805-37-9,2-[ethyl(3-methylphenyl)amino]ethyl 3-(trichloromethyl)benzoate,2-[ethyl(3-methylphenyl)amino]ethyl 3-(trichloromethyl)benzoate,CCN(CCOC(=O)c1cccc(c1)C(Cl)(Cl)Cl)c2cccc(C)c2,CCN(CCOC(=O)c1cccc(c1)C(Cl)(Cl)Cl)c2cccc(C)c2,"InChI=1/C19H20Cl3NO2/c1-3-23(17-9-4-6-14(2)12-17)10-11-25-18(24)15-7-5-8-16(13-15)19(20,21)22/h4-9,12-13H,3,10-11H2,1-2H3",C19H20Cl3NO2,,,,,,WQSYEFNVEXAEBY-UHFFFAOYSA-N,,,,,,,,,,,
100.097.865,307-702-9,97692-50-7,Ethylbis(2-hydroxyethyl)octadecenylammonium ethyl sulphate,"N-ethyl-N,N-bis(2-hydroxyethyl)octadec-1-en-1-aminium ethyl sulfate",OCC[N+](CC)(C=CCCCCCCCCCCCCCCCC)CCO.[O-]S(=O)(=O)OCC,OCC[N+](CC)(C=CCCCCCCCCCCCCCCCC)CCO.[O-]S(=O)(=O)OCC,"InChI=1/C24H50NO2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2,21-23-26)22-24-27;1-2-6-7(3,4)5/h19-20,26-27H,3-18,21-24H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C24H50NO2.C2H5O4S,,,,,,IIUGOWZJKNQDAX-UHFFFAOYSA-M,,,,,,,,,,,
100.099.381,309-391-5,100258-46-6,2-octyldecyl 12-[(1-oxooctadecyl)oxy]octadecanoate,2-octyldecyl 12-(stearoyloxy)octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCC,"InChI=1/C54H106O4/c1-5-9-13-17-20-21-22-23-24-25-26-27-32-37-43-49-54(56)58-52(46-40-16-12-8-4)47-41-35-30-28-29-31-36-42-48-53(55)57-50-51(44-38-33-18-14-10-6-2)45-39-34-19-15-11-7-3/h51-52H,5-50H2,1-4H3",C54H106O4,,,,,,OJZAYYRZOXLCEY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.891,305-526-7,94598-43-3,"Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide","8,8-dimethyl-3-{[(2-phenylbicyclo[2.2.1]hept-2-yl)carbamoyl]oxy}-8-azoniabicyclo[3.2.1]octane bromide",[Br-].C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)NC3(CC4CCC3C4)c5ccccc5,[Br-].C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)NC3(CC4CCC3C4)c5ccccc5,"InChI=1/C23H32N2O2.BrH/c1-25(2)19-10-11-20(25)14-21(13-19)27-22(26)24-23(17-6-4-3-5-7-17)15-16-8-9-18(23)12-16;/h3-7,16,18-21H,8-15H2,1-2H3;1H",C23H33N2O2.Br,,,,,,ZKBZWOOQCUBWLR-MGHRICFHSA-N,,,,,,,,,,,
100.095.916,305-553-4,94677-31-3,2-(octadec-9-enyloxy)ethanol,2-(octadec-9-en-1-yloxy)ethanol,OCCOCCCCCCCCC=CCCCCCCCC,OCCOCCCCCCCCC=CCCCCCCCC,"InChI=1/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3",C20H40O2,,,,,,KWVPFECTOKLOBL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.917,305-555-5,94689-31-3,Dimethylindanol,"1,2-dimethylindan-1-ol",CC1Cc2ccccc2C1(C)O,CC1Cc2ccccc2C1(C)O,"InChI=1/C11H14O/c1-8-7-9-5-3-4-6-10(9)11(8,2)12/h3-6,8,12H,7H2,1-2H3",C11H14O,,,,,,XTBOPEPHSCCUBK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.931,305-570-7,94713-26-5,Bis[2-(2-hydroxyethoxy)ethyl]methyloleylammonium methyl sulphate,N-{3-(2-hydroxyethoxy)-1-[2-(2-hydroxyethoxy)ethyl]propyl}octadec-9-en-1-aminium methyl sulfate,CCCCCCCC\\C=C/CCCCCCCC[NH2+]C(CCOCCO)CCOCCO.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC[NH2+]C(CCOCCO)CCOCCO.COS(=O)(=O)[O-],"InChI=1/C27H55NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-27(18-23-31-25-21-29)19-24-32-26-22-30;1-5-6(2,3)4/h9-10,27-30H,2-8,11-26H2,1H3;1H3,(H,2,3,4)",C27H56NO4.CH3O4S,,,,,,VTVIIZUWNXHPSK-KVVVOXFISA-N,,,,,,,,,,,
100.095.960,305-603-5,94825-14-6,"Disodium hydrogen 3-[[2,4-diamino-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-5-sulphonatosalicylate","disodium hydrogen 3-{[2,4-diamino-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-2-hydroxy-5-sulfonatobenzoate",[H+].[Na+].[Na+].Oc4c(cc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S([O-])(=O)=O)C([O-])=O,[H+].[Na+].[Na+].Oc4c(cc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S([O-])(=O)=O)C([O-])=O,"InChI=1/C25H20N8O11S2.2Na.H2/c26-17-10-18(27)21(31-32-22-9-15(45(39,40)41)8-16(24(22)34)25(35)36)11-20(17)30-29-13-3-1-12(2-4-13)28-19-6-5-14(33(37)38)7-23(19)46(42,43)44;;;/h1-11,28,34H,26-27H2,(H,35,36)(H,39,40,41)(H,42,43,44);;;1H/q;3*+1/p-3",C25H20N8O11S2.2Na,,,,,,XRQCGMVNHIOKCU-UHFFFAOYSA-L,,,,,,,,,,,
100.099.457,309-474-6,100402-39-9,Aluminum zirconium bromide,-,[Al+3].[Br-].[Zr+2],[Al+3].[Br-].[Zr+2],InChI=1/Al.BrH.Zr/h;1H;/q+3;;+2/p-1,-,,,,,,WIYQTRBWHIAFMV-UHFFFAOYSA-M,,,,,,,,,,,
100.099.258,309-246-6,100208-44-4,"Disodium 5-[(2,3-dichlorocyclopropyl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate","disodium 5-[(2,3-dichlorocyclopropyl)amino]-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].ClC4C(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)C4Cl,[Na+].[Na+].ClC4C(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)C4Cl,"InChI=1/C19H15Cl2N3O7S2.2Na/c20-15-16(21)18(15)22-12-8-11(32(26,27)28)6-9-7-13(33(29,30)31)17(19(25)14(9)12)24-23-10-4-2-1-3-5-10;;/h1-8,15-16,18,22,25H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C19H15Cl2N3O7S2.2Na,,,,,,JMPSXOLMKPTMRU-UHFFFAOYSA-L,,,,,,,,,,,
100.096.400,306-091-6,95984-11-5,"N-(2,2-dimethoxyethyl)methacrylamide","N-(2,2-dimethoxyethyl)-2-methylacrylamide",COC(CNC(=O)C(=C)C)OC,COC(CNC(=O)C(=C)C)OC,"InChI=1/C8H15NO3/c1-6(2)8(10)9-5-7(11-3)12-4/h7H,1,5H2,2-4H3,(H,9,10)",C8H15NO3,,,,,,MGARLISKINLYPI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.403,306-094-2,96097-15-3,Sodium 2-(nonylphenoxy)ethyl sulphate,sodium 2-(2-nonylphenoxy)ethyl sulfate,[Na+].CCCCCCCCCc1ccccc1OCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCc1ccccc1OCCOS(=O)(=O)[O-],"InChI=1/C17H28O5S.Na/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)21-14-15-22-23(18,19)20;/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,18,19,20);/q;+1/p-1",C17H28O5S.Na,,,,,,VUCGNOAVFXHIEJ-UHFFFAOYSA-M,,,,,,,,,,,
100.099.115,309-089-3,99948-81-9,"2,6-bis(1-phenylethyl)phenyl dihydrogen phosphate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)","2,6-bis(1-phenylethyl)phenyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:2)",CC(c1ccccc1)c2cccc(C(C)c3ccccc3)c2OP(=O)(O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,CC(c1ccccc1)c2cccc(C(C)c3ccccc3)c2OP(=O)(O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,"InChI=1/C22H23O4P.2C6H15NO3/c1-16(18-10-5-3-6-11-18)20-14-9-15-21(22(20)26-27(23,24)25)17(2)19-12-7-4-8-13-19;2*8-4-1-7(2-5-9)3-6-10/h3-17H,1-2H3,(H2,23,24,25);2*8-10H,1-6H2",C22H23O4P.2C6H15NO3,,,,,,MQBNTASTDQMCCD-UHFFFAOYSA-N,,,,,,,,,,,
100.096.009,305-656-4,94944-79-3,"N,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine dimaleate","N,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine dibut-2-enedioate",CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12.OC(=O)\\C=C/C(=O)O.OC(=O)\\C=C/C(=O)O,CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O,"InChI=1/C25H32N4O.2C4H4O4/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30-5)9-10-21(20)28-24(22)16(3)19(23)11-13-27-25;2*5-3(6)1-2-4(7)8/h9-11,13,15,28H,6-8,12,14H2,1-5H3,(H,26,27);2*1-2H,(H,5,6)(H,7,8)",C25H32N4O.2C4H4O4,,,,,,WGWHHUGEYVPMGY-SPIKMXEPSA-N,,,,,,,,,,,
100.096.011,305-659-0,94944-81-7,"Trisodium 4-hydroxy-3-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,5-disulphonate","trisodium 3-({4'-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-4-hydroxynaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(Nc1ccccc1)ccc2c3O)S([O-])(=O)=O)c7ccc(N=Nc6cc(c5cccc(c5c6O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c7,[Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(Nc1ccccc1)ccc2c3O)S([O-])(=O)=O)c7ccc(N=Nc6cc(c5cccc(c5c6O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c7,"InChI=1/C40H31N5O13S3.3Na/c1-57-32-18-22(11-15-29(32)42-44-31-21-35(60(51,52)53)28-9-6-10-34(59(48,49)50)37(28)40(31)47)23-12-16-30(33(19-23)58-2)43-45-38-36(61(54,55)56)20-24-17-26(13-14-27(24)39(38)46)41-25-7-4-3-5-8-25;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3",C40H31N5O13S3.3Na,,,,,,WXXMSMOSMANOCN-UHFFFAOYSA-K,,,,,,,,,,,
100.096.012,305-660-6,94944-82-8,"1-[(sulphooxy)methyl]-1,2-ethanediyl dioleate","3-(sulfooxy)propane-1,2-diyl bisoctadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(COS(=O)(=O)O)OC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COS(=O)(=O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C39H72O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H,42,43,44)",C39H72O8S,,,,,,CDHCSPQAZJUSRB-CLFAGFIQSA-N,,,,,,,,,,,
100.099.592,309-623-5,100432-49-3,"Rhodium(3+) 2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiolate","rhodium(3+) tris(2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiolate)",[Rh+3].CC1C([S-])CC2CC1C2(C)C.CC3C([S-])CC4CC3C4(C)C.CC5C([S-])CC6CC5C6(C)C,[Rh+3].CC1C([S-])CC2CC1C2(C)C.CC3C([S-])CC4CC3C4(C)C.CC5C([S-])CC6CC5C6(C)C,"InChI=1/3C10H18S.Rh/c3*1-6-8-4-7(5-9(6)11)10(8,2)3;/h3*6-9,11H,4-5H2,1-3H3;/q;;;+3/p-3",C10H18S.1/3Rh,,,,,,KVBSNKUVQDEEEZ-UHFFFAOYSA-K,,,,,,,,,,,
100.097.859,307-696-8,97692-43-8,3-ethyl-2-(isopropyl)-6-(isopropylidene)-3-methylcyclohexan-1-one,3-ethyl-2-isopropyl-6-isopropylidene-3-methylcyclohexanone,CCC1(C)CCC(=C(C)C)C(=O)C1C(C)C,CCC1(C)CCC(=C(C)C)C(=O)C1C(C)C,"InChI=1/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h11,13H,7-9H2,1-6H3",C15H26O,,,,,,DOVSXNJPORFZIA-UHFFFAOYSA-N,,,,,,,,,,,
100.097.625,307-438-4,97659-35-3,"3-(2-chloro-4-isocyanatophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one","5-tert-butyl-3-(2-chloro-4-isocyanatophenyl)-1,3,4-oxadiazol-2(3H)-one",CC(C)(C)C1=NN(C(=O)O1)c2ccc(cc2Cl)N=C=O,CC(C)(C)C1=NN(C(=O)O1)c2ccc(cc2Cl)N=C=O,"InChI=1/C13H12ClN3O3/c1-13(2,3)11-16-17(12(19)20-11)10-5-4-8(15-7-18)6-9(10)14/h4-6H,1-3H3",C13H12ClN3O3,,,,,,WSQMDTRLPZJJGY-UHFFFAOYSA-N,,,,,,,,,,,
100.097.626,307-440-5,97659-36-4,"9,10-dichloro-12-hydroxyoctadecanoic acid","9,10-dichloro-12-hydroxyoctadecanoic acid",CCCCCCC(O)CC(Cl)C(Cl)CCCCCCCC(=O)O,CCCCCCC(O)CC(Cl)C(Cl)CCCCCCCC(=O)O,"InChI=1/C18H34Cl2O3/c1-2-3-4-8-11-15(21)14-17(20)16(19)12-9-6-5-7-10-13-18(22)23/h15-17,21H,2-14H2,1H3,(H,22,23)",C18H34Cl2O3,,,,,,AODBHFIRNOOMDL-UHFFFAOYSA-N,,,,,,,,,,,
100.097.629,307-443-1,97659-39-7,2-butoxyethyl (+)-2-(4-chloro-2-methylphenoxy)propionate,2-butoxyethyl 2-(4-chloro-2-methylphenoxy)propanoate,CCCCOCCOC(=O)C(C)Oc1ccc(Cl)cc1C,CCCCOCCOC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C16H23ClO4/c1-4-5-8-19-9-10-20-16(18)13(3)21-15-7-6-14(17)11-12(15)2/h6-7,11,13H,4-5,8-10H2,1-3H3",C16H23ClO4,,,,,,GWFGUAFFJVHZKY-UHFFFAOYSA-N,,,,,,,,,,,
100.097.866,307-703-4,97692-52-9,Bis(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulphate,"2,6-dihydroxy-N-[2-(stearoyloxy)propyl]heptan-4-aminium methyl sulfate",CCCCCCCCCCCCCCCCCC(=O)OC(C)C[NH2+]C(CC(C)O)CC(C)O.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OC(C)C[NH2+]C(CC(C)O)CC(C)O.COS(=O)(=O)[O-],"InChI=1/C28H57NO4.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(32)33-26(4)23-29-27(21-24(2)30)22-25(3)31;1-5-6(2,3)4/h24-27,29-31H,5-23H2,1-4H3;1H3,(H,2,3,4)",C28H58NO4.CH3O4S,,,,,,PUQSPZAJVKPFJP-UHFFFAOYSA-N,,,,,,,,,,,
100.078.687,286-586-0,85283-57-4,Disodium 8-[(4-hydroxyphenyl)azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate,disodium 8-[(4-hydroxyphenyl)diazenyl]-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].Oc5ccc(N=Nc4ccc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c3cccc(c34)S([O-])(=O)=O)cc5,[Na+].[Na+].Oc5ccc(N=Nc4ccc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c3cccc(c34)S([O-])(=O)=O)cc5,"InChI=1/C28H20N6O9S2.2Na/c35-21-11-8-19(9-12-21)31-33-25-15-14-23(22-2-1-3-26(28(22)25)44(38,39)40)32-30-18-6-4-17(5-7-18)29-24-13-10-20(34(36)37)16-27(24)45(41,42)43;;/h1-16,29,35H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C28H20N6O9S2.2Na,,,,,,QRIUFQNTIDQYLR-UHFFFAOYSA-L,,,,,,,,,,,
100.078.688,286-587-6,85283-58-5,Disodium 5-[(4-hydroxyphenyl)azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-2-sulphonate,disodium 5-[(4-hydroxyphenyl)diazenyl]-8-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].Oc5ccc(N=Nc4ccc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c3cc(ccc34)S([O-])(=O)=O)cc5,[Na+].[Na+].Oc5ccc(N=Nc4ccc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c3cc(ccc34)S([O-])(=O)=O)cc5,"InChI=1/C28H20N6O9S2.2Na/c35-21-8-5-19(6-9-21)31-32-25-13-14-26(24-16-22(44(38,39)40)10-11-23(24)25)33-30-18-3-1-17(2-4-18)29-27-12-7-20(34(36)37)15-28(27)45(41,42)43;;/h1-16,29,35H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C28H20N6O9S2.2Na,,,,,,QBXOCNILGWOLJV-UHFFFAOYSA-L,,,,,,,,,,,
100.078.706,286-606-8,85283-79-0,"5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium sulphate (2:1)","bis{5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium} sulfate",COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\\C=C\\c3c(c4ccccc4)n(C)c5ccccc35.COc6ccc7c(c6)C(C)(C)C(=[N+]7C)\\C=C\\c8c(c9ccccc9)n(C)c%10ccccc8%10.[O-]S(=O)(=O)[O-],COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.COc6ccc7c(c6)C(C)(C)C(=[N+]7C)\C=C\c8c(c9ccccc9)n(C)c%10ccccc8%10.[O-]S(=O)(=O)[O-],"InChI=1/2C29H29N2O.H2O4S/c2*1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5(2,3)4/h2*6-19H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2",C29H29N2O.1/2O4S,,,,,,NIUGKBGUKZLVDF-UHFFFAOYSA-L,,,,,,,,,,,
100.078.707,286-607-3,85283-80-3,"3-[[9,10-dihydro-9,10-dioxo-4-[(p-tolyl)amino]-1-anthryl]amino]propyltrimethylammonium dihydrogen phosphate","N,N,N-trimethyl-3-({4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)propan-1-aminium dihydrogen phosphate",Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)cc1.[O-]P(=O)([O-])[O-],Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)cc1.[O-]P(=O)([O-])[O-],"InChI=1/C27H29N3O2.H3O4P/c1-18-10-12-19(13-11-18)29-23-15-14-22(28-16-7-17-30(2,3)4)24-25(23)27(32)21-9-6-5-8-20(21)26(24)31;1-5(2,3)4/h5-6,8-15H,7,16-17H2,1-4H3,(H-,28,29,31,32);(H3,1,2,3,4)/p-2",C27H30N3O2.H2O4P,,,,,,YIQKPKIXSAFTCP-UHFFFAOYSA-L,,,,,,,,,,,
100.078.709,286-609-4,85283-82-5,"1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with methyl hydrogen sulphate (1:1)","methyl hydrogen sulfate - 1-amino-4-({3-[(dimethylamino)methyl]phenyl}amino)-9,10-anthraquinone (1:1)",COS(=O)(=O)O.CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1,COS(=O)(=O)O.CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1,"InChI=1/C23H21N3O2.CH4O4S/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;1-5-6(2,3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,2,3,4)",C23H21N3O2.CH4O4S,,,,,,BMPHWERDCIUYLP-UHFFFAOYSA-N,,,,,,,,,,,
100.083.971,292-403-5,90605-05-3,"Phosphoric acid, dodecyl ester, ammonium salt",ammonium dodecyl hydrogen phosphate,[NH4+].CCCCCCCCCCCCOP(=O)(O)[O-],[NH4+].CCCCCCCCCCCCOP(=O)(O)[O-],"InChI=1/C12H27O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);1H3",-,,,,,,HLBZVTBNCQMIBO-UHFFFAOYSA-N,,,,,,,,,,,
100.083.977,292-409-8,90605-11-1,"Phosphoric acid, methyl ester, sodium salt",sodium methyl hydrogen phosphate,[Na+].COP(=O)(O)[O-],[Na+].COP(=O)(O)[O-],"InChI=1/CH5O4P.Na/c1-5-6(2,3)4;/h1H3,(H2,2,3,4);/q;+1/p-1",-,,,,,,ZIEPYABJIVRDIB-UHFFFAOYSA-M,,,,,,,,,,,
100.083.987,292-420-8,90608-57-4,Methyl 2-cyano-3-methylhexanoate,methyl 2-cyano-3-methylhexanoate,CCCC(C)C(C#N)C(=O)OC,CCCC(C)C(C#N)C(=O)OC,"InChI=1/C9H15NO2/c1-4-5-7(2)8(6-10)9(11)12-3/h7-8H,4-5H2,1-3H3",C9H15NO2,,,,,,CGANALKHURZBBC-UHFFFAOYSA-N,,,,,,,,,,,
100.078.716,286-617-8,85283-89-2,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium hydrogen sulphate,6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenzo[cd]indolium hydrogen sulfate,CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.[O-]S(=O)(=O)[O-],CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.[O-]S(=O)(=O)[O-],"InChI=1/C23H24BrN2.H2O4S/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-5(2,3)4/h7-15H,4-6H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2",C23H24BrN2.HO4S,,,,,,WHUVOMNDVURCTB-UHFFFAOYSA-L,,,,,,,,,,,
100.078.720,286-622-5,85283-94-9,"3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium hydrogen sulphate","9-ethyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-3H-carbazolium hydrogen sulfate",[H+].[O-]S([O-])(=O)=O.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\\C=2\\3)=CC=C5N(C)c4ccccc4C5(C)C,[H+].[O-]S([O-])(=O)=O.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C,"InChI=1/C27H27N2.H2O4S.H2/c1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4;1-5(2,3)4;/h6-18H,5H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C27H27N2.HO4S,,,,,,VJKNNNJQUPOMQS-UHFFFAOYSA-M,,,,,,,,,,,
100.089.534,298-534-4,93805-51-7,5-[(2-aminocyclohexyl)methyl]-2-methylcyclohexylamine,5-[(2-aminocyclohexyl)methyl]-2-methylcyclohexanamine,CC1CCC(CC2CCCCC2N)CC1N,CC1CCC(CC2CCCCC2N)CC1N,"InChI=1/C14H28N2/c1-10-6-7-11(9-14(10)16)8-12-4-2-3-5-13(12)15/h10-14H,2-9,15-16H2,1H3",C14H28N2,,,,,,JVTXSALWHXVWIG-UHFFFAOYSA-N,,,,,,,,,,,
100.089.535,298-536-5,93805-52-8,2-[(2-isocyanatocyclohexyl)methyl]-p-tolyl isocyanate,1-isocyanato-2-[(2-isocyanatocyclohexyl)methyl]-4-methylbenzene,Cc1ccc(N=C=O)c(CC2CCCCC2N=C=O)c1,Cc1ccc(N=C=O)c(CC2CCCCC2N=C=O)c1,"InChI=1/C16H18N2O2/c1-12-6-7-16(18-11-20)14(8-12)9-13-4-2-3-5-15(13)17-10-19/h6-8,13,15H,2-5,9H2,1H3",C16H18N2O2,,,,,,CXFJDACSYSPPFS-UHFFFAOYSA-N,,,,,,,,,,,
100.089.555,298-558-5,93805-74-4,"Octahydro-5-isobutyl-4,7-methano-1H-inden-5-yl acetate","5-isobutyloctahydro-1H-4,7-methanoinden-5-yl acetate",CC(C)CC1(CC2CC1C3CCCC23)OC(=O)C,CC(C)CC1(CC2CC1C3CCCC23)OC(=O)C,"InChI=1/C16H26O2/c1-10(2)8-16(18-11(3)17)9-12-7-15(16)14-6-4-5-13(12)14/h10,12-15H,4-9H2,1-3H3",C16H26O2,,,,,,FPPRJKWGULBYSC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.559,298-562-7,93805-78-8,Ethoxymethoxymagnesium,(ethoxymethanolato-kappaO)magnesium(1+),CCOCO[Mg+],CCOCO[Mg+],"InChI=1/C3H7O2.Mg/c1-2-5-3-4;/h2-3H2,1H3;/q-1;+2/rC3H7MgO2/c1-2-5-3-6-4/h2-3H2,1H3/q+1",C3H8MgO2,,,,,,RKPRHIGHSQURAB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.131,301-390-8,94020-95-8,"Decahydro-1,1,7-trimethylspiro[4H-cycloprop[e]azulene-4,2'-oxirane]","1,1,7-trimethyldecahydrospiro[cyclopropa[e]azulene-4,2'-oxirane]",CC1CCC2C1C3C(CCC24CO4)C3(C)C,CC1CCC2C1C3C(CCC24CO4)C3(C)C,"InChI=1/C15H24O/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10)8-16-15/h9-13H,4-8H2,1-3H3",C15H24O,,,,,,XPGWKKLDFXNBPJ-UHFFFAOYSA-N,,,,,,,,,,,
100.092.141,301-401-6,94021-08-6,"Trisodium 1-[4-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate","trisodium 1-(4-{[4-(bis{2-[(2-chloroethyl)sulfonyl]ethyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].ClCCS(=O)(=O)CCN(CCS(=O)(=O)CCCl)c1nc(nc(Cl)n1)Nc2cc(c(cc2)N4/N=C(\\C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)C([O-])=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].ClCCS(=O)(=O)CCN(CCS(=O)(=O)CCCl)c1nc(nc(Cl)n1)Nc2cc(c(cc2)N4/N=C(\C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)C([O-])=O)S([O-])(=O)=O,"InChI=1/C27H28Cl3N9O13S4.3Na/c28-7-11-53(43,44)13-9-38(10-14-54(45,46)12-8-29)27-33-25(30)32-26(34-27)31-16-5-6-18(20(15-16)56(50,51)52)39-23(40)21(22(37-39)24(41)42)36-35-17-3-1-2-4-19(17)55(47,48)49;;;/h1-6,15,21H,7-14H2,(H,41,42)(H,47,48,49)(H,50,51,52)(H,31,32,33,34);;;/q;3*+1/p-3",C27H28Cl3N9O13S4.3Na,,,,,,ISAIBYTZDHYGLX-UHFFFAOYSA-K,,,,,,,,,,,
100.092.143,301-403-7,94021-10-0,"Trisodium 1-[5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate","trisodium 1-(5-{[4-(bis{2-[(2-chloroethyl)sulfonyl]ethyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-2-methyl-3-sulfonatophenyl)-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].ClCCS(=O)(=O)CCN(CCS(=O)(=O)CCCl)c1nc(nc(Cl)n1)Nc2cc(c(C)c(c2)N4/N=C(\\C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)C([O-])=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].ClCCS(=O)(=O)CCN(CCS(=O)(=O)CCCl)c1nc(nc(Cl)n1)Nc2cc(c(C)c(c2)N4/N=C(\C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)C([O-])=O)S([O-])(=O)=O,"InChI=1/C28H30Cl3N9O13S4.3Na/c1-16-19(40-24(41)22(23(38-40)25(42)43)37-36-18-4-2-3-5-20(18)56(48,49)50)14-17(15-21(16)57(51,52)53)32-27-33-26(31)34-28(35-27)39(8-12-54(44,45)10-6-29)9-13-55(46,47)11-7-30;;;/h2-5,14-15,22H,6-13H2,1H3,(H,42,43)(H,48,49,50)(H,51,52,53)(H,32,33,34,35);;;/q;3*+1/p-3",C28H30Cl3N9O13S4.3Na,,,,,,OLBBDIXXVROMAA-UHFFFAOYSA-K,,,,,,,,,,,
100.092.151,301-412-6,94021-19-9,"6,13-dichloro-3,10-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulphophenyl]amino]triphenodioxazine-4,11-disulphonic acid","6,13-dichloro-3,10-bis({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}amino)[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid",OS(=O)(=O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Nc3ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)cc8S(=O)(=O)O)c7S(=O)(=O)O)N=C6C(=C5Oc4c3S(=O)(=O)O)Cl)Cl,OS(=O)(=O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Nc3ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)cc8S(=O)(=O)O)c7S(=O)(=O)O)N=C6C(=C5Oc4c3S(=O)(=O)O)Cl)Cl,"InChI=1/C36H18Cl6N12O14S4/c37-21-24-28(68-26-16(48-24)6-8-18(30(26)72(64,65)66)46-14-4-2-12(10-20(14)70(58,59)60)44-36-53-33(41)50-34(42)54-36)22(38)23-27(21)67-25-15(47-23)5-7-17(29(25)71(61,62)63)45-13-3-1-11(9-19(13)69(55,56)57)43-35-51-31(39)49-32(40)52-35/h1-10,45-46H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,43,49,51,52)(H,44,50,53,54)",C36H18Cl6N12O14S4,,,,,,JOTSOJLHJLKCDD-UHFFFAOYSA-N,,,,,,,,,,,
100.092.154,301-415-2,94021-22-4,2-piperazinylpyrimidine dihydrochloride,2-piperazin-1-ylpyrimidine dihydrochloride,Cl.Cl.C1CN(CCN1)c2ncccn2,Cl.Cl.C1CN(CCN1)c2ncccn2,"InChI=1/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H",C8H12N4.2ClH,,,,,,ZNZGJSLHXOMREP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.156,301-417-3,94021-24-6,Tripotassium trihydrogen [nitrilotris(methylene)]trisphosphonate,tripotassium trihydrogen [nitrilotris(methylene)]tris(phosphonate),[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.3K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-6",C3H12NO9P3.3K,,,,,,CQDMQNNPEXOLIR-UHFFFAOYSA-H,,,,,,,,,,,
100.096.446,306-142-2,96446-15-0,"6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzimidazolium acetate","6-chloro-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazol-1-ium acetate",[O-]C(C)=O.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C,[O-]C(C)=O.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C,"InChI=1/C20H23ClN6.C2H4O2/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;1-2(3)4/h6-9,12-13H,4-5,11,14H2,1-3H3;1H3,(H,3,4)",C20H22ClN6.C2H3O2,,,,,,AXTZLCSSRXDRNO-UHFFFAOYSA-N,,,,,,,,,,,
100.096.447,306-143-8,96446-16-1,"6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzimidazolium formate","6-chloro-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazol-1-ium formate",[O-]C=O.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C,[O-]C=O.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C,"InChI=1/C20H23ClN6.CH2O2/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;2-1-3/h6-9,12-13H,4-5,11,14H2,1-3H3;1H,(H,2,3)",C20H22ClN6.CHO2,,,,,,HRKRVZOWCKCHMY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.457,306-154-8,96507-76-5,Decyl nonyl phthalate,decyl nonyl phthalate,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,"InChI=1/C27H44O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-14-12-10-8-6-4-2/h16-17,20-21H,3-15,18-19,22-23H2,1-2H3",C27H44O4,,,,,,NSZKIDSVINDASL-UHFFFAOYSA-N,,,,,,,,,,,
100.097.585,307-395-1,97635-34-2,3-(3-ethyl-4-piperidyl)-1-[6-[(1-methylheptyl)oxy]-4-quinolyl]propan-1-one monohydrochloride,3-(3-ethylpiperidin-4-yl)-1-{6-[(1-methylheptyl)oxy]quinolin-4-yl}propan-1-one hydrochloride,Cl.CCCCCCC(C)Oc1ccc2nccc(C(=O)CCC3CCNCC3CC)c2c1,Cl.CCCCCCC(C)Oc1ccc2nccc(C(=O)CCC3CCNCC3CC)c2c1,"InChI=1/C27H40N2O2.ClH/c1-4-6-7-8-9-20(3)31-23-11-12-26-25(18-23)24(15-17-29-26)27(30)13-10-22-14-16-28-19-21(22)5-2;/h11-12,15,17-18,20-22,28H,4-10,13-14,16,19H2,1-3H3;1H",C27H40N2O2.ClH,,,,,,NDGFCPTVWQRZGN-UHFFFAOYSA-N,,,,,,,,,,,
100.097.589,307-399-3,97635-39-7,2-[(dimethylphenyl)azo]-1-naphthol,"2-[(2,3-dimethylphenyl)diazenyl]-1-naphthol",Cc3cccc(N=Nc2ccc1ccccc1c2O)c3C,Cc3cccc(N=Nc2ccc1ccccc1c2O)c3C,"InChI=1/C18H16N2O/c1-12-6-5-9-16(13(12)2)19-20-17-11-10-14-7-3-4-8-15(14)18(17)21/h3-11,21H,1-2H3",C18H16N2O,,,,,,IIZNAJFNHJZIIN-UHFFFAOYSA-N,,,,,,,,,,,
100.097.592,307-402-8,97635-42-2,2-methylbutyl 2-(4-chloro-2-methylphenoxy)propionate,2-methylbutyl 2-(4-chloro-2-methylphenoxy)propanoate,CCC(C)COC(=O)C(C)Oc1ccc(Cl)cc1C,CCC(C)COC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C15H21ClO3/c1-5-10(2)9-18-15(17)12(4)19-14-7-6-13(16)8-11(14)3/h6-8,10,12H,5,9H2,1-4H3",C15H21ClO3,,,,,,XALBPNKLACRSBK-UHFFFAOYSA-N,,,,,,,,,,,
100.096.493,306-194-6,96591-12-7,5-(allyloxy)-3-ethoxydihydro-5-methylfuran-2(3H)-one,5-(allyloxy)-3-ethoxy-5-methyldihydrofuran-2(3H)-one (non-preferred name),CCOC1CC(C)(OCC=C)OC1=O,CCOC1CC(C)(OCC=C)OC1=O,"InChI=1/C10H16O4/c1-4-6-13-10(3)7-8(12-5-2)9(11)14-10/h4,8H,1,5-7H2,2-3H3",C10H16O4,,,,,,AORWDAQGWDBNFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.601,307-412-2,97635-51-3,"3-amino-N-[2,5-dihydro-5-oxo-1-(2,4,5-trichlorophenyl)-1H-pyrazol-4-yl]benzamide","3-amino-N-[3-oxo-2-(2,4,5-trichlorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]benzamide",Nc1cccc(c1)C(=O)NC2=CNN(C2=O)c3cc(Cl)c(Cl)cc3Cl,Nc1cccc(c1)C(=O)NC2=CNN(C2=O)c3cc(Cl)c(Cl)cc3Cl,"InChI=1/C16H11Cl3N4O2/c17-10-5-12(19)14(6-11(10)18)23-16(25)13(7-21-23)22-15(24)8-2-1-3-9(20)4-8/h1-7,21H,20H2,(H,22,24)",C16H11Cl3N4O2,,,,,,HZCZJNPXUSCLSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.603,307-414-3,97635-53-5,"5-oxo-L-proline, compound with DL-ornithine (1:1)",5-oxo-L-proline - L-ornithine (1:1),NCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,NCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H12N2O2.C5H7NO3/c6-3-1-2-4(7)5(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,6-7H2,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)",C5H12N2O2.C5H7NO3,,,,,,TYQDOIOMUGXJOC-WOYAITHZSA-N,,,,,,,,,,,
100.097.605,307-416-4,97635-55-7,"5-oxo-L-proline, compound with triethylamine (1:1)","5-oxo-L-proline - N,N-diethylethanamine (1:1)",CCN(CC)CC.OC(=O)[C@@H]1CCC(=O)N1,CCN(CC)CC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H15N.C5H7NO3/c1-4-7(5-2)6-3;7-4-2-1-3(6-4)5(8)9/h4-6H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C6H15N.C5H7NO3,,,,,,WODZFXHFPCFWTG-HVDRVSQOSA-N,,,,,,,,,,,
100.097.606,307-418-5,97635-56-8,"5-oxo-DL-proline, compound with DL-lysine (1:1)",5-oxo-L-proline - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C6H14N2O2.C5H7NO3,,,,,,GSTSUZHIVMCRLR-RVZXSAGBSA-N,,,,,,,,,,,
100.097.607,307-419-0,97635-57-9,"5-oxo-L-proline, compound with DL-lysine (1:1)",5-oxo-L-proline - L-lysine (1:1),NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C6H14N2O2.C5H7NO3,,,,,,GSTSUZHIVMCRLR-RVZXSAGBSA-N,,,,,,,,,,,
100.097.868,307-706-0,97692-54-1,Trisodium 4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]-6-[methyl[[2-(sulphonatooxy)ethyl]sulphonyl]amino]naphthalene-2-sulphonate,trisodium 4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]-6-(methyl{[2-(sulfonatooxy)ethyl]sulfonyl}amino)naphthalene-2-sulfonate,[Na+].[Na+].[Na+].COc3ccc(N=Nc2c(cc1ccc(cc1c2O)N(C)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,[Na+].[Na+].[Na+].COc3ccc(N=Nc2c(cc1ccc(cc1c2O)N(C)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O)c(c3)S([O-])(=O)=O,"InChI=1/C20H21N3O14S4.3Na/c1-23(38(25,26)8-7-37-41(33,34)35)13-4-3-12-9-18(40(30,31)32)19(20(24)15(12)10-13)22-21-16-6-5-14(36-2)11-17(16)39(27,28)29;;;/h3-6,9-11,24H,7-8H2,1-2H3,(H,27,28,29)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3",C20H21N3O14S4.3Na,,,,,,MXLJSURIDCQDOU-UHFFFAOYSA-K,,,,,,,,,,,
100.097.869,307-707-6,97692-55-2,"3-ethylheptyl 2,5-dimethylheptyl phthalate","2,5-dimethylheptyl 3-ethylheptyl phthalate",CCCCC(CC)CCOC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,CCCCC(CC)CCOC(=O)c1ccccc1C(=O)OCC(C)CCC(C)CC,"InChI=1/C26H42O4/c1-6-9-12-22(8-3)17-18-29-25(27)23-13-10-11-14-24(23)26(28)30-19-21(5)16-15-20(4)7-2/h10-11,13-14,20-22H,6-9,12,15-19H2,1-5H3",C26H42O4,,,,,,RPEMFIXNDWKIKW-UHFFFAOYSA-N,,,,,,,,,,,
100.097.870,307-708-1,97692-56-3,Ethyl vanillyl carbonate,ethyl 4-hydroxy-3-methoxybenzyl carbonate,CCOC(=O)OCc1ccc(O)c(OC)c1,CCOC(=O)OCc1ccc(O)c(OC)c1,"InChI=1/C11H14O5/c1-3-15-11(13)16-7-8-4-5-9(12)10(6-8)14-2/h4-6,12H,3,7H2,1-2H3",C11H12O5,,,,,,ITJDLAGYSXNWNW-UHFFFAOYSA-N,,,,,,,,,,,
100.097.872,307-710-2,97692-58-5,N-(3-thienylcarbonyl)-DL-methionine,N-(3-thienylcarbonyl)-L-methionine,CSCC[C@H](NC(=O)c1ccsc1)C(=O)O,CSCC[C@H](NC(=O)c1ccsc1)C(=O)O,"InChI=1/C10H13NO3S2/c1-15-4-3-8(10(13)14)11-9(12)7-2-5-16-6-7/h2,5-6,8H,3-4H2,1H3,(H,11,12)(H,13,14)",C10H13NO3S2,,,,,,AQCNLDXJHBQKRG-QMMMGPOBSA-N,,,,,,,,,,,
100.099.377,309-386-8,100258-42-2,"24-methyl-2,5,8,11,14,17,20,23-octaoxapentacosane","24-methyl-2,5,8,11,14,17,20,23-octaoxapentacosane",COCCOCCOCCOCCOCCOCCOCCOC(C)C,COCCOCCOCCOCCOCCOCCOCCOC(C)C,"InChI=1/C18H38O8/c1-18(2)26-17-16-25-15-14-24-13-12-23-11-10-22-9-8-21-7-6-20-5-4-19-3/h18H,4-17H2,1-3H3",C18H38O8,,,,,,PDJGCYUIJQJQCO-UHFFFAOYSA-N,,,,,,,,,,,
100.099.378,309-387-3,100258-43-3,"21-methyl-2,5,8,11,14,17,20-heptaoxadocosane","21-methyl-2,5,8,11,14,17,20-heptaoxadocosane",COCCOCCOCCOCCOCCOCCOC(C)C,COCCOCCOCCOCCOCCOCCOC(C)C,"InChI=1/C16H34O7/c1-16(2)23-15-14-22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17-3/h16H,4-15H2,1-3H3",C16H34O7,,,,,,LYWMONBTYKZDMG-UHFFFAOYSA-N,,,,,,,,,,,
100.095.930,305-569-1,94713-24-3,Ethylbis[2-(2-hydroxyethoxy)ethyl]oleylammonium ethyl sulphate,"N-ethyl-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-en-1-aminium ethyl sulfate",CCCCCCCC\\C=C/CCCCCCCC[N+](CC)(CCOCCO)CCOCCO.CCOS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC[N+](CC)(CCOCCO)CCOCCO.CCOS(=O)(=O)[O-],"InChI=1/C28H58NO4.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(4-2,21-25-32-27-23-30)22-26-33-28-24-31;1-2-6-7(3,4)5/h11-12,30-31H,3-10,13-28H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C28H58NO4.C2H5O4S,,,,,,BATWJDRIQJVYRO-AFEZEDKISA-M,,,,,,,,,,,
100.095.934,305-573-3,94713-29-8,Pentasodium 4-hydroxy-7-[[4-[2-(4-nitro-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]azo]-3-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,pentasodium 4-hydroxy-7-({4-[2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}diazenyl)-3-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[Na+].[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c6ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc2ccc5c(c2)cc(c(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O)c5O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c6ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc2ccc5c(c2)cc(c(N=Nc4ccc(N=Nc3ccc(cc3)S([O-])(=O)=O)cc4S([O-])(=O)=O)c5O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O,"InChI=1/C36H25N7O18S5.5Na/c44-36-29-13-8-24(38-40-25-5-3-20(31(17-25)63(50,51)52)1-2-21-4-10-27(43(45)46)19-32(21)64(53,54)55)15-22(29)16-34(66(59,60)61)35(36)42-41-30-14-9-26(18-33(30)65(56,57)58)39-37-23-6-11-28(12-7-23)62(47,48)49;;;;;/h1-19,44H,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;;/q;5*+1/p-5",C36H25N7O18S5.5Na,,,,,,IKNXORXTGQVNPP-NLXKMSIJSA-I,,,,,,,,,,,
100.095.937,305-577-5,94732-94-2,"(Z)-4-[3-bromo-1-(4-chlorophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl",4-[3-bromo-1-(4-chlorophenyl)prop-1-en-1-yl]-4'-chlorobiphenyl,Clc1ccc(cc1)\\C(=C/CBr)\\c2ccc(cc2)c3ccc(Cl)cc3,Clc1ccc(cc1)\C(=C/CBr)\c2ccc(cc2)c3ccc(Cl)cc3,"InChI=1/C21H15BrCl2/c22-14-13-21(18-7-11-20(24)12-8-18)17-3-1-15(2-4-17)16-5-9-19(23)10-6-16/h1-13H,14H2",C21H15BrCl2,,,,,,UHMITVQUNZOQJG-BKUYFWCQSA-N,,,,,,,,,,,
100.095.942,305-582-2,94732-99-7,"Disodium dihydrogen 4,5-dihydroxy-3,6-bis[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","disodium dihydrogen 4,5-dihydroxy-3,6-bis[(4-nitro-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[H+].[H+].[Na+].[Na+].[O-][N+](=O)c4ccc(N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)c3O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[H+].[H+].[Na+].[Na+].[O-][N+](=O)c4ccc(N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)c3O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C22H14N6O18S4.2Na.2H2/c29-21-18-9(5-16(49(41,42)43)19(21)25-23-12-3-1-10(27(31)32)7-14(12)47(35,36)37)6-17(50(44,45)46)20(22(18)30)26-24-13-4-2-11(28(33)34)8-15(13)48(38,39)40;;;;/h1-8,29-30H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;2*1H/q;4*+1/p-4",C22H14N6O18S4.2Na,,,,,,CKLNXXLIRDZLQS-UHFFFAOYSA-L,,,,,,,,,,,
100.099.458,309-475-1,100402-40-2,Magnesium zirconium chloride,-,[Mg+2].[Cl-].[Zr+2],[Mg+2].[Cl-].[Zr+2],InChI=1/ClH.Mg.Zr/h1H;;/q;2*+2/p-1,-,,,,,,ZGCQVUCCJKTBPN-UHFFFAOYSA-M,,,,,,,,,,,
100.078.721,286-623-0,85283-95-0,"2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate","2-{2-[4-(diethylamino)phenyl]vinyl}-1,3,3-trimethyl-3H-indolium hydrogen sulfate",CCN(CC)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-],"InChI=1/C23H29N2.H2O4S/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h8-17H,6-7H2,1-5H3;(H2,1,2,3,4)/q+1;/p-2",C23H29N2.HO4S,,,,,,DDCQOMCTMUPVHS-UHFFFAOYSA-L,,,,,,,,,,,
100.078.730,286-633-5,85284-13-5,Bis(2-butoxyethyl) dodecanedioate,bis(2-butoxyethyl) dodecanedioate,CCCCOCCOC(=O)CCCCCCCCCCC(=O)OCCOCCCC,CCCCOCCOC(=O)CCCCCCCCCCC(=O)OCCOCCCC,"InChI=1/C24H46O6/c1-3-5-17-27-19-21-29-23(25)15-13-11-9-7-8-10-12-14-16-24(26)30-22-20-28-18-6-4-2/h3-22H2,1-2H3",C24H46O6,,,,,,MASQEGKFFCANLK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.039,303-489-1,94200-12-1,"3,3,5-trimethylcyclohexyl butyrate","3,3,5-trimethylcyclohexyl butyrate",CCCC(=O)OC1CC(C)CC(C)(C)C1,CCCC(=O)OC1CC(C)CC(C)(C)C1,"InChI=1/C13H24O2/c1-5-6-12(14)15-11-7-10(2)8-13(3,4)9-11/h10-11H,5-9H2,1-4H3",C13H24O2,,,,,,UIFRJGOCMUXTRV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.041,303-491-2,94200-15-4,"Bis[[2-(3,5-dihydroxyphenyl)-2-oxoethyl]isopropylammonium] sulphate","bis{N-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]propan-2-aminium} sulfate",CC(C)[NH2+]CC(=O)c1cc(O)cc(O)c1.CC(C)[NH2+]CC(=O)c2cc(O)cc(O)c2.[O-]S(=O)(=O)[O-],CC(C)[NH2+]CC(=O)c1cc(O)cc(O)c1.CC(C)[NH2+]CC(=O)c2cc(O)cc(O)c2.[O-]S(=O)(=O)[O-],"InChI=1/2C11H15NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,12-14H,6H2,1-2H3;(H2,1,2,3,4)",C11H15NO3.1/2H2O4S,,,,,,FQWRVSJRQIAPRK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.054,303-506-2,94200-30-3,Bis[o-(1-phenylethyl)phenyl] hydrogen phosphate,bis[2-(1-phenylethyl)phenyl] hydrogen phosphate,CC(c1ccccc1)c2ccccc2OP(=O)(O)Oc3ccccc3C(C)c4ccccc4,CC(c1ccccc1)c2ccccc2OP(=O)(O)Oc3ccccc3C(C)c4ccccc4,"InChI=1/C28H27O4P/c1-21(23-13-5-3-6-14-23)25-17-9-11-19-27(25)31-33(29,30)32-28-20-12-10-18-26(28)22(2)24-15-7-4-8-16-24/h3-22H,1-2H3,(H,29,30)",C28H27O4P,,,,,,OBMNOVHUTBFKEB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.058,303-510-4,94200-34-7,"2-[4-[[4-[[4-[(4-amino-o-tolyl)azo]benzoyl]amino]-3-sulphophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonic acid","2-(4-{[4-({4-[(4-amino-2-methylphenyl)diazenyl]benzoyl}amino)-3-sulfophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1,4-disulfonic acid",Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2S(O)(=O)=O)N=NC4C(\\C)=N/N(c3cc(ccc3S(O)(=O)=O)S(O)(=O)=O)C4=O)c(C)c5,Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2S(O)(=O)=O)N=NC4C(\C)=N/N(c3cc(ccc3S(O)(=O)=O)S(O)(=O)=O)C4=O)c(C)c5,"InChI=1/C30H26N8O11S3/c1-16-13-19(31)5-10-23(16)35-33-20-6-3-18(4-7-20)29(39)32-24-11-8-21(14-27(24)52(47,48)49)34-36-28-17(2)37-38(30(28)40)25-15-22(50(41,42)43)9-12-26(25)51(44,45)46/h3-15,28H,31H2,1-2H3,(H,32,39)(H,41,42,43)(H,44,45,46)(H,47,48,49)",C30H26N8O11S3,,,,,,KIPPADFGCVAUBI-UHFFFAOYSA-N,,,,,,,,,,,
100.094.064,303-517-2,94200-40-5,[[[3-[methyl(phosphonomethyl)amino]propyl]imino]bis(methylene)]bisphosphonic acid,{[{3-[bis(phosphonomethyl)amino]propyl}(methyl)amino]methyl}phosphonic acid,CN(CCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,CN(CCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,"InChI=1/C7H21N2O9P3/c1-8(5-19(10,11)12)3-2-4-9(6-20(13,14)15)7-21(16,17)18/h2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)",C7H21N2O9P3,,,,,,VAQXWQNIWWHADW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.070,303-524-0,94200-46-1,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H8F21O5P.2H3N/c14-4(15,1-3(35)2-39-40(36,37)38)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34;;/h3,35H,1-2H2,(H2,36,37,38);2*1H3",C13H8F21O5P.2H3N,,,,,,OSCAVMVVXPBMJU-UHFFFAOYSA-N,,,,,,,,,,,
100.095.033,304-583-5,94276-98-9,2-methoxyethyl 4-[[2-(acetylamino)-4-[bis(2-hydroxyethyl)amino]-5-ethoxyphenyl]azo]-3-cyano-5-nitrobenzoate,2-methoxyethyl 4-({2-acetamido-4-[bis(2-hydroxyethyl)amino]-5-ethoxyphenyl}diazenyl)-3-cyano-5-nitrobenzoate,CCOc2cc(N=Nc1c(cc(cc1C#N)C(=O)OCCOC)[N+]([O-])=O)c(cc2N(CCO)CCO)NC(C)=O,CCOc2cc(N=Nc1c(cc(cc1C#N)C(=O)OCCOC)[N+]([O-])=O)c(cc2N(CCO)CCO)NC(C)=O,"InChI=1/C25H30N6O9/c1-4-39-23-14-20(19(27-16(2)34)13-21(23)30(5-7-32)6-8-33)28-29-24-18(15-26)11-17(12-22(24)31(36)37)25(35)40-10-9-38-3/h11-14,32-33H,4-10H2,1-3H3,(H,27,34)",C25H30N6O9,,,,,,GGCRADARBDTZLF-UHFFFAOYSA-N,,,,,,,,,,,
100.095.040,304-590-3,94277-05-1,"Aluminium, compound with manganese (5:1)",aluminum - manganese (5:1),[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Mn],[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Mn],InChI=1/5Al.Mn.15H/q5*+3;+2;;;;;;;;;;;;;;;/r5AlH3.Mn/h5*1H3;/q5*+3;+2,Al.Mn,,,,,,UVJBCWSDNPLVHC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.830,306-564-7,97334-72-0,Calcium bis[2-C-(hydroxymethyl)-D-mannonate],"calcium bis[2,3,4,5,6-pentahydroxy-2-(hydroxymethyl)hexanoate] (non-preferred name)",[Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(CO)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(CO)C(=O)[O-],[Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(CO)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(CO)C(=O)[O-],"InChI=1/2C7H14O8.Ca/c2*8-1-3(10)4(11)5(12)7(15,2-9)6(13)14;/h2*3-5,8-12,15H,1-2H2,(H,13,14);/q;;+2/p-2",C7H14O8.1/2Ca,,,,,,YYWXXJVQDUJGBU-QDGZFKSUSA-L,,,,,,,,,,,
100.092.158,301-419-4,94021-26-8,Pentapotassium hydrogen [nitrilotris(methylene)]trisphosphonate,pentapotassium hydrogen [nitrilotris(methylene)]tris(phosphonate),[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.5K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;/q;5*+1/p-6",C3H12NO9P3.5K,,,,,,XULKYUDWHAHGLR-UHFFFAOYSA-H,,,,,,,,,,,
100.092.159,301-421-5,94021-27-9,Tetraammonium dihydrogen [nitrilotris(methylene)]trisphosphonate,tetraammonium dihydrogen [nitrilotris(methylene)]tris(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C3H12NO9P3.4H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);4*1H3/p-2",C3H12NO9P3.4H3N,,,,,,DYAGPABPDGVONC-UHFFFAOYSA-L,,,,,,,,,,,
100.092.161,301-423-6,94021-29-1,"2-[(hydroxymethoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol","2-[(hydroxymethoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol",OCOCC(CO)(CO)CO,OCOCC(CO)(CO)CO,"InChI=1/C6H14O5/c7-1-6(2-8,3-9)4-11-5-10/h7-10H,1-5H2",C6H14O5,,,,,,RTLSOFVRIBIIHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.091.445,300-635-6,93951-13-4,"N,N'-bis(3-ammonio-2-hydroxypropyl)-N,N,N',N'-tetramethyl-N,N'-(2-hydroxypropane-1,3-diyl)diammonium tetrachloride","N,N'-bis(3-ammonio-2-hydroxypropyl)-2-hydroxy-N,N,N',N'-tetramethylpropane-1,3-diaminium tetrachloride",[Cl-].[Cl-].[Cl-].[Cl-].C[N+](C)(CC(O)C[NH3+])CC(O)C[N+](C)(C)CC(O)C[NH3+],[Cl-].[Cl-].[Cl-].[Cl-].C[N+](C)(CC(O)C[NH3+])CC(O)C[N+](C)(C)CC(O)C[NH3+],"InChI=1/C13H34N4O3.4ClH/c1-16(2,7-11(18)5-14)9-13(20)10-17(3,4)8-12(19)6-15;;;;/h11-13,18-20H,5-10,14-15H2,1-4H3;4*1H/q+2;;;;/p-2",C13H34N4O3.2ClH.2Cl,,,,,,NBQCSGOBMOOUSS-UHFFFAOYSA-L,,,,,,,,,,,
100.091.448,300-638-2,93951-16-7,Ethyl 3-(chlorocarbonyl)-5-nitrobenzoate,ethyl 3-(chlorocarbonyl)-5-nitrobenzoate,CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,"InChI=1/C10H8ClNO5/c1-2-17-10(14)7-3-6(9(11)13)4-8(5-7)12(15)16/h3-5H,2H2,1H3",C10H8ClNO5,,,,,,ILPBPWRYTWVDGD-UHFFFAOYSA-N,,,,,,,,,,,
100.091.450,300-640-3,93951-18-9,"N-[(benzyloxy)carbonyl]-O-tert-butyl-D-serine, compound with dicyclohexylamine (1:1)",N-[(benzyloxy)carbonyl]-O-tert-butyl-D-serine - N-cyclohexylcyclohexanamine (1:1),CC(C)(C)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,CC(C)(C)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3,"InChI=1/C15H21NO5.C12H23N/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18);11-13H,1-10H2",C15H21NO5.C12H23N,,,,,,ICMWSONNKQDNLS-UTONKHPSSA-N,,,,,,,,,,,
100.091.456,300-647-1,93951-24-7,"2-phenyl-1-(2,4,6-trimethylbenzoyl)-1H-imidazole",1-(mesitylcarbonyl)-2-phenyl-1H-imidazole,Cc1cc(C)c(C(=O)n2ccnc2c3ccccc3)c(C)c1,Cc1cc(C)c(C(=O)n2ccnc2c3ccccc3)c(C)c1,"InChI=1/C19H18N2O/c1-13-11-14(2)17(15(3)12-13)19(22)21-10-9-20-18(21)16-7-5-4-6-8-16/h4-12H,1-3H3",C19H18N2O,,,,,,MGNFFUHBTQWOSG-UHFFFAOYSA-N,,,,,,,,,,,
100.091.457,300-648-7,93951-25-8,"2,2'-[(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-ylidene)bis(methyleneoxymethylene)]bisoxirane","2,2'-[(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,2-diyl)bis(methyleneoxymethylene)]dioxirane",ClC1=C(Cl)C2(Cl)C(Cl)(Cl)C1(Cl)CC2(COCC3CO3)COCC4CO4,ClC1=C(Cl)C2(Cl)C(Cl)(Cl)C1(Cl)CC2(COCC3CO3)COCC4CO4,"InChI=1/C15H16Cl6O4/c16-10-11(17)14(19)12(6-22-1-8-3-24-8,7-23-2-9-4-25-9)5-13(10,18)15(14,20)21/h8-9H,1-7H2",C15H16Cl6O4,,,,,,LQTQDWMOFMCUMR-UHFFFAOYSA-N,,,,,,,,,,,
100.091.468,300-660-2,93951-41-8,6-amino-N-(6-aminotrimethylhexyl)hexanamide,"6-amino-N-(6-amino-1,1,2-trimethylhexyl)hexanamide",CC(CCCCN)C(C)(C)NC(=O)CCCCCN,CC(CCCCN)C(C)(C)NC(=O)CCCCCN,"InChI=1/C15H33N3O/c1-13(9-6-8-12-17)15(2,3)18-14(19)10-5-4-7-11-16/h13H,4-12,16-17H2,1-3H3,(H,18,19)",C15H33N3O,,,,,,LGXKDXAXCUDCPF-UHFFFAOYSA-N,,,,,,,,,,,
100.091.473,300-666-5,93951-46-3,1-[(6-aminotrimethylhexyl)amino]propan-2-ol,"1-[(6-amino-1,1,2-trimethylhexyl)amino]propan-2-ol",CC(O)CNC(C)(C)C(C)CCCCN,CC(O)CNC(C)(C)C(C)CCCCN,"InChI=1/C12H28N2O/c1-10(7-5-6-8-13)12(3,4)14-9-11(2)15/h10-11,14-15H,5-9,13H2,1-4H3",C12H28N2O,,,,,,VUPRLSYOWHGDBC-UHFFFAOYSA-N,,,,,,,,,,,
100.089.577,298-582-6,93819-98-8,Tetradecyl hydrogen sebacate,10-oxo-10-(tetradecyloxy)decanoic acid,CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O,CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O,"InChI=1/C24H46O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-28-24(27)21-18-15-12-11-14-17-20-23(25)26/h2-22H2,1H3,(H,25,26)",C24H46O4,,,,,,LEFLTMHKDAIUHY-UHFFFAOYSA-N,,,,,,,,,,,
100.089.578,298-583-1,93819-99-9,Docosyl hydrogen sebacate,10-(docosyloxy)-10-oxodecanoic acid,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O,"InChI=1/C32H62O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-27-30-36-32(35)29-26-23-20-19-22-25-28-31(33)34/h2-30H2,1H3,(H,33,34)",C32H62O4,,,,,,ZQYGIPYHSWOVIB-UHFFFAOYSA-N,,,,,,,,,,,
100.089.579,298-584-7,93820-00-9,"3,3'-oxybis(2-hydroxypropyl) diacetate","oxybis-2-hydroxypropane-3,1-diyl diacetate",CC(=O)OCC(O)COCC(O)COC(=O)C,CC(=O)OCC(O)COCC(O)COC(=O)C,"InChI=1/C10H18O7/c1-7(11)16-5-9(13)3-15-4-10(14)6-17-8(2)12/h9-10,13-14H,3-6H2,1-2H3",C10H18O7,,,,,,WGYORETUYPJUNQ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.611,307-423-2,97645-25-5,"Disodium 5-(acetylamino)-4-hydroxy-3-[[4-methyl-3-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate","disodium 5-acetamido-4-hydroxy-3-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2,7-disulfonate",[Na+].[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=Nc4c(cc3cc(cc(NC(C)=O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=Nc4c(cc3cc(cc(NC(C)=O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C25H22N4O10S3.2Na/c1-14-8-9-18(12-21(14)40(32,33)29-17-6-4-3-5-7-17)27-28-24-22(42(37,38)39)11-16-10-19(41(34,35)36)13-20(26-15(2)30)23(16)25(24)31;;/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2",C25H22N4O10S3.2Na,,,,,,DQDRCGSHHZHMLK-UHFFFAOYSA-L,,,,,,,,,,,
100.097.615,307-427-4,97659-25-1,Sodium 3-[[(ethylthio)thioxomethyl]thio]propanesulphonate,sodium 3-{[(ethylsulfanyl)carbonothioyl]sulfanyl}propane-1-sulfonate,[Na+].CCSC(=S)SCCCS(=O)(=O)[O-],[Na+].CCSC(=S)SCCCS(=O)(=O)[O-],"InChI=1/C6H12O3S4.Na/c1-2-11-6(10)12-4-3-5-13(7,8)9;/h2-5H2,1H3,(H,7,8,9);/q;+1/p-1",C6H12O3S4.Na,,,,,,HCKYLFKRDZDSAK-UHFFFAOYSA-M,,,,,,,,,,,
100.097.620,307-433-7,97659-30-8,"Octanoic acid, compound with 1,1-dimethylundecylamine (1:1)",octanoic acid - 2-methyldodecan-2-amine (1:1),CCCCCCCCCCC(C)(C)N.CCCCCCCC(=O)O,CCCCCCCCCCC(C)(C)N.CCCCCCCC(=O)O,"InChI=1/C13H29N.C8H16O2/c1-4-5-6-7-8-9-10-11-12-13(2,3)14;1-2-3-4-5-6-7-8(9)10/h4-12,14H2,1-3H3;2-7H2,1H3,(H,9,10)",C13H29N.C8H16O2,,,,,,FOBPSTLDOFSKBB-UHFFFAOYSA-N,,,,,,,,,,,
100.099.126,309-101-7,100018-96-0,Ethyl iodooctadecanoate,ethyl 2-iodooctadecanoate,CCCCCCCCCCCCCCCCC(I)C(=O)OCC,CCCCCCCCCCCCCCCCC(I)C(=O)OCC,"InChI=1/C20H39IO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-4-2/h19H,3-18H2,1-2H3",C20H39IO2,,,,,,XYSWCJVTCOLTLI-UHFFFAOYSA-N,,,,,,,,,,,
100.099.148,309-125-8,100063-61-4,2-[[[2-[[2-[[2-[[(2-hydroxyethyl)amino]carbonyl]benzoyl]amino]ethyl](hydroxymethyl)amino]ethyl]amino]carbonyl]benzoic acid,2-[(2-{[2-({2-[(2-hydroxyethyl)carbamoyl]benzoyl}amino)ethyl](hydroxymethyl)amino}ethyl)carbamoyl]benzoic acid,OCCNC(=O)c1ccccc1C(=O)NCCN(CO)CCNC(=O)c2ccccc2C(=O)O,OCCNC(=O)c1ccccc1C(=O)NCCN(CO)CCNC(=O)c2ccccc2C(=O)O,"InChI=1/C23H28N4O7/c28-14-11-26-21(31)17-6-2-1-5-16(17)20(30)24-9-12-27(15-29)13-10-25-22(32)18-7-3-4-8-19(18)23(33)34/h1-8,28-29H,9-15H2,(H,24,30)(H,25,32)(H,26,31)(H,33,34)",C23H28N4O7,,,,,,RAZAKZXSZQNECO-UHFFFAOYSA-N,,,,,,,,,,,
100.096.346,306-031-9,95873-43-1,1-[2-(2-butoxyethoxy)propoxy]propan-2-ol,1-[2-(2-butoxyethoxy)propoxy]propan-2-ol,CCCCOCCOC(C)COCC(C)O,CCCCOCCOC(C)COCC(C)O,"InChI=1/C12H26O4/c1-4-5-6-14-7-8-16-12(3)10-15-9-11(2)13/h11-13H,4-10H2,1-3H3",C12H26O4,,,,,,ZENPKPOPTRKSMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.099.249,309-236-1,100208-35-3,"2,4,7,10-tetraoxatetradecan-1-ol","2,4,7,10-tetraoxatetradecan-1-ol",CCCCOCCOCCOCOCO,CCCCOCCOCCOCOCO,"InChI=1/C10H22O5/c1-2-3-4-12-5-6-13-7-8-14-10-15-9-11/h11H,2-10H2,1H3",C10H22O5,,,,,,BDSLQSUURZVYNO-UHFFFAOYSA-N,,,,,,,,,,,
100.098.544,308-451-8,98072-01-6,"1,1,3,3,5-pentamethyl-5-phenyltrisiloxane-1,5-diol","1,1,3,3,5-pentamethyl-5-phenyltrisiloxane-1,5-diol",C[Si](C)(O)O[Si](C)(C)O[Si](C)(O)c1ccccc1,C[Si](C)(O)O[Si](C)(C)O[Si](C)(O)c1ccccc1,"InChI=1/C11H22O4Si3/c1-16(2,12)14-17(3,4)15-18(5,13)11-9-7-6-8-10-11/h6-10,12-13H,1-5H3",C11H22O4Si3,,,,,,VVOIJRCEACLCDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.098.545,308-452-3,98072-02-7,"2-octyldodecyl 3,5,5-trimethylhexanoate","2-octyldodecyl 3,5,5-trimethylhexanoate",CCCCCCCCCCC(CCCCCCCC)COC(=O)CC(C)CC(C)(C)C,CCCCCCCCCCC(CCCCCCCC)COC(=O)CC(C)CC(C)(C)C,"InChI=1/C29H58O2/c1-7-9-11-13-15-16-18-20-22-27(21-19-17-14-12-10-8-2)25-31-28(30)23-26(3)24-29(4,5)6/h26-27H,7-25H2,1-6H3",C29H58O2,,,,,,ORHIPTVQARSOPI-UHFFFAOYSA-N,,,,,,,,,,,
100.098.548,308-456-5,98072-05-0,"Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate","bis(16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl) hydrogen phosphate",OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,"InChI=1/C34H55O14P/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34/h1-10H,11-32H2,(H,35,36)",C34H55O14P,,,,,,CXZCZDXBXGKRQH-UHFFFAOYSA-N,,,,,,,,,,,
100.098.553,308-461-2,98072-12-9,2-(2-hydroxybutoxy)butan-1-ol,2-(2-hydroxybutoxy)butan-1-ol,CCC(O)COC(CC)CO,CCC(O)COC(CC)CO,"InChI=1/C8H18O3/c1-3-7(10)6-11-8(4-2)5-9/h7-10H,3-6H2,1-2H3",C8H18O3,,,,,,MVEWAQOGSDLLAT-UHFFFAOYSA-N,,,,,,,,,,,
100.097.489,307-289-5,97592-90-0,"Sulfuric acid, iron(3+) salt, basic",-,[Fe+3].[O-]S(=O)(=O)[O-],[Fe+3].[O-]S(=O)(=O)[O-],"InChI=1/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+3;/p-2",-,,,,,,NMTATISANOINHB-UHFFFAOYSA-L,,,,,,,,,,,
100.095.679,305-294-7,94405-98-8,"(17ß)-17-allyl-3-methoxyandrosta-3,5-dien-17-ol","17-allyl-3-methoxy-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",COC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@]4(O)CC=C)[C@@]2(C)CC1,COC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@]4(O)CC=C)[C@@]2(C)CC1,"InChI=1/C23H34O2/c1-5-11-23(24)14-10-20-18-7-6-16-15-17(25-4)8-12-21(16,2)19(18)9-13-22(20,23)3/h5-6,15,18-20,24H,1,7-14H2,2-4H3",C23H34O2,,,,,,JTTKTCASGWBFIW-KOORYGTMSA-N,,,,,,,,,,,
100.095.680,305-295-2,94405-99-9,"(17ß)-3-methoxy-17-propylandrosta-3,5-dien-17-ol","3-methoxy-10,13-dimethyl-17-propyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)",CCC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)OC,CCC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)OC,"InChI=1/C23H36O2/c1-5-11-23(24)14-10-20-18-7-6-16-15-17(25-4)8-12-21(16,2)19(18)9-13-22(20,23)3/h6,15,18-20,24H,5,7-14H2,1-4H3",C23H36O2,,,,,,ZCJDRIHZLNGEBB-KOORYGTMSA-N,,,,,,,,,,,
100.099.255,309-242-4,100208-41-1,(isopropoxymethoxy)methanol,(isopropoxymethoxy)methanol,CC(C)OCOCO,CC(C)OCOCO,"InChI=1/C5H12O3/c1-5(2)8-4-7-3-6/h5-6H,3-4H2,1-2H3",C5H12O3,,,,,,LHCRFMIUQHIZLC-UHFFFAOYSA-N,,,,,,,,,,,
100.099.256,309-244-5,100208-42-2,[(isopropoxymethoxy)methoxy]methanol,[(isopropoxymethoxy)methoxy]methanol,CC(C)OCOCOCO,CC(C)OCOCOCO,"InChI=1/C6H14O4/c1-6(2)10-5-9-4-8-3-7/h6-7H,3-5H2,1-2H3",C6H14O4,,,,,,CKTKXGAZWKOZAP-UHFFFAOYSA-N,,,,,,,,,,,
100.096.404,306-095-8,96097-16-4,"1,4:3,6-dianhydrohex-2-ulose","1,4:3,6-dianhydrohex-2-ulose",OC1COC2C1OCC2=O,OC1COC2C1OCC2=O,"InChI=1/C6H8O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3,5-7H,1-2H2",C6H8O4,,,,,,DBJHHAAUYAIFCX-UHFFFAOYSA-N,,,,,,,,,,,
100.096.406,306-097-9,96097-18-6,"6,8,8-trimethylnona-2,5-dien-4-one","6,8,8-trimethylnona-2,5-dien-4-one",CC(C)(C)CC(C)=CC(=O)C=CC,CC(C)(C)CC(C)=CC(=O)C=CC,"InChI=1/C12H20O/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6-8H,9H2,1-5H3",C12H20O,,,,,,RRGOJMZSOZFVKM-UHFFFAOYSA-N,,,,,,,,,,,
100.096.450,306-146-4,96446-20-7,"cis-camphoric acid, compound with 2-(diethylamino)ethyl p-aminobenzoate (1:2)","1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid - 2-(diethylamino)ethyl 4-aminobenzoate (1:2)",CCN(CC)CCOC(=O)c1ccc(N)cc1.CCN(CC)CCOC(=O)c2ccc(N)cc2.CC3(C)[C@@H](CC[C@]3(C)C(=O)O)C(=O)O,CCN(CC)CCOC(=O)c1ccc(N)cc1.CCN(CC)CCOC(=O)c2ccc(N)cc2.CC3(C)[C@@H](CC[C@]3(C)C(=O)O)C(=O)O,"InChI=1/2C13H20N2O2.C10H16O4/c2*1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h2*5-8H,3-4,9-10,14H2,1-2H3;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",C13H20N2O2.1/2C10H16O4,,,,,,PLFYNNGVZNEGDO-WEMFWLSLSA-N,,,,,,,,,,,
100.096.451,306-148-5,96446-21-8,"2,3-dimethoxy-5-sulphobenzoic acid","2,3-dimethoxy-5-sulfobenzoic acid",COc1cc(cc(C(=O)O)c1OC)S(=O)(=O)O,COc1cc(cc(C(=O)O)c1OC)S(=O)(=O)O,"InChI=1/C9H10O7S/c1-15-7-4-5(17(12,13)14)3-6(9(10)11)8(7)16-2/h3-4H,1-2H3,(H,10,11)(H,12,13,14)",C9H10O7S,,,,,,ARYSOZFIGZXBFU-UHFFFAOYSA-N,,,,,,,,,,,
100.096.453,306-150-6,96507-72-1,"Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate","ethyl 4-chloro-5-formyl-3,6-dihydropyridine-1(2H)-carboxylate",CCOC(=O)N1CCC(=C(C1)C=O)Cl,CCOC(=O)N1CCC(=C(C1)C=O)Cl,"InChI=1/C9H12ClNO3/c1-2-14-9(13)11-4-3-8(10)7(5-11)6-12/h6H,2-5H2,1H3",C9H12ClNO3,,,,,,BMUCDCSKVFZPSS-UHFFFAOYSA-N,,,,,,,,,,,
100.096.456,306-153-2,96507-75-4,3-[bis(2-hydroxypropyl)amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate,3-[bis(2-hydroxypropyl)amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CN(CC(C)O)CC(C)O,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CN(CC(C)O)CC(C)O,"InChI=1/C30H61NO5/c1-6-8-10-12-14-16-18-20-30(5,21-19-17-15-13-11-9-7-2)29(35)36-25-28(34)24-31(22-26(3)32)23-27(4)33/h26-28,32-34H,6-25H2,1-5H3",C30H61NO5,,,,,,GBWKVMIBMYVCPK-UHFFFAOYSA-N,,,,,,,,,,,
100.096.458,306-155-3,96507-77-6,"D-galacturonic acid, compound with L-lysine (1:1)",L-lysine - D-galacturonic acid (1:1),NCCCC[C@H](N)C(=O)O.O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O,NCCCC[C@H](N)C(=O)O.O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O,"InChI=1/C6H14N2O2.C6H10O7/c7-4-2-1-3-5(8)6(9)10;7-1-2(8)3(9)4(10)5(11)6(12)13/h5H,1-4,7-8H2,(H,9,10);1-5,8-11H,(H,12,13)",C6H14N2O2.C6H10O7,,,,,,OCYCLZVRYWSMGW-GYCJZBAESA-N,,,,,,,,,,,
100.097.576,307-385-7,97635-24-0,1-(4-methylphenyl)-3-(1-pyrrolidinyl)propan-1-one hydrochloride,1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one hydrochloride,Cl.Cc1ccc(cc1)C(=O)CCN2CCCC2,Cl.Cc1ccc(cc1)C(=O)CCN2CCCC2,"InChI=1/C14H19NO.ClH/c1-12-4-6-13(7-5-12)14(16)8-11-15-9-2-3-10-15;/h4-7H,2-3,8-11H2,1H3;1H",C14H19NO.ClH,,,,,,LZTSEHXSSHJUIV-UHFFFAOYSA-N,,,,,,,,,,,
100.097.579,307-388-3,97635-27-3,Chlorodipropoxytitanium,titanium(3+) chloride dipropan-1-olate,CCCO[Ti](Cl)OCCC,CCCO[Ti](Cl)OCCC,"InChI=1/2C3H7O.ClH.Ti/c2*1-2-3-4;;/h2*2-3H2,1H3;1H;/q2*-1;;+3/p-1/rC6H14ClO2Ti/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3",C6H14ClO2Ti,,,,,,LVPRAOUVWXXVDC-UHFFFAOYSA-M,,,,,,,,,,,
100.097.580,307-389-9,97635-28-4,"Sodium hydrogen 4,5-dihydro-4-[[4-methyl-3-[(phenylamino)sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","hydrogen sodium 4-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[H+].[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=NC4\\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O,[H+].[Na+].O=S(=O)(Nc1ccccc1)c2cc(ccc2C)N=NC4\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O,"InChI=1/C23H19N5O8S2.Na.H2/c1-14-7-8-16(13-19(14)37(32,33)27-15-5-3-2-4-6-15)24-25-20-21(23(30)31)26-28(22(20)29)17-9-11-18(12-10-17)38(34,35)36;;/h2-13,20,27H,1H3,(H,30,31)(H,34,35,36);;1H/q;2*+1/p-2",C23H19N5O8S2.Na,,,,,,SJUGYRHPANIKKG-UHFFFAOYSA-M,,,,,,,,,,,
100.097.582,307-392-5,97635-30-8,2-methylcyclohexyl palmitate,2-methylcyclohexyl palmitate,CCCCCCCCCCCCCCCC(=O)OC1CCCCC1C,CCCCCCCCCCCCCCCC(=O)OC1CCCCC1C,"InChI=1/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(24)25-22-19-17-16-18-21(22)2/h21-22H,3-20H2,1-2H3",C23H44O2,,,,,,HEJYYMALYZHULQ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.584,307-394-6,97635-32-0,3-(3-hydroxypropoxy)propyl laurate,3-(3-hydroxypropoxy)propyl laurate,CCCCCCCCCCCC(=O)OCCCOCCCO,CCCCCCCCCCCC(=O)OCCCOCCCO,"InChI=1/C18H36O4/c1-2-3-4-5-6-7-8-9-10-13-18(20)22-17-12-16-21-15-11-14-19/h19H,2-17H2,1H3",C18H36O4,,,,,,CGGKBZSXQOLUNV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.074,303-528-2,94200-50-7,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C14H8F23O5P.2H3N/c15-4(16,1-3(38)2-42-43(39,40)41)6(18,19)8(22,23)10(26,27)12(30,31)11(28,29)9(24,25)7(20,21)5(17,13(32,33)34)14(35,36)37;;/h3,38H,1-2H2,(H2,39,40,41);2*1H3",C14H8F23O5P.2H3N,,,,,,HIKBTDVEZMQREG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.087,303-542-9,94200-64-3,N-[bis(phosphono)methyl]-N-methyl-L-aspartic acid,N-(diphosphonomethyl)-N-methyl-L-aspartic acid,CN([C@@H](CC(=O)O)C(=O)O)C(P(=O)(O)O)P(=O)(O)O,CN([C@@H](CC(=O)O)C(=O)O)C(P(=O)(O)O)P(=O)(O)O,"InChI=1/C6H13NO10P2/c1-7(3(5(10)11)2-4(8)9)6(18(12,13)14)19(15,16)17/h3,6H,2H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17)",C6H13NO10P2,,,,,,VMSJBJKSLZOBJT-VKHMYHEASA-N,,,,,,,,,,,
100.094.093,303-549-7,94200-70-1,"4-(3-chloro-2,4,6-trinitrophenoxy)phenol","4-(3-chloro-2,4,6-trinitrophenoxy)phenol",Oc1ccc(Oc2c(cc(c(Cl)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])cc1,Oc1ccc(Oc2c(cc(c(Cl)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])cc1,"InChI=1/C12H6ClN3O8/c13-10-8(14(18)19)5-9(15(20)21)12(11(10)16(22)23)24-7-3-1-6(17)2-4-7/h1-5,17H",C12H6ClN3O8,,,,,,CXUNQKQBOXFIIE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.094,303-550-2,94200-71-2,2-acetamido-3-(p-hydroxyphenyl)-N-(p-nitrophenyl)propionamide,Nalpha-acetyl-N-(4-nitrophenyl)tyrosinamide,CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-],"InChI=1/C17H17N3O5/c1-11(21)18-16(10-12-2-8-15(22)9-3-12)17(23)19-13-4-6-14(7-5-13)20(24)25/h2-9,16,22H,10H2,1H3,(H,18,21)(H,19,23)",C17H17N3O5,,,,,,QATYPERFLZVAKG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.095,303-551-8,94200-72-3,"4,6-dihydro-9-methoxy-1,2,5-trimethyl-3H-pyrido[4,3-b]carbazolium chloride","9-methoxy-1,2,5-trimethyl-4,6-dihydro-3H-pyrido[4,3-b]carbazol-2-ium chloride",[Cl-].COc1ccc2[nH]c3c(C)c4CC[N+](=C(C)c4cc3c2c1)C,[Cl-].COc1ccc2[nH]c3c(C)c4CC[N+](=C(C)c4cc3c2c1)C,"InChI=1/C19H20N2O.ClH/c1-11-14-7-8-21(3)12(2)15(14)10-17-16-9-13(22-4)5-6-18(16)20-19(11)17;/h5-6,9-10H,7-8H2,1-4H3;1H",C19H21N2O.Cl,,,,,,NQGJYYUVGJQLQP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.096,303-552-3,94200-73-4,"9-hydroxy-1,2,5-trimethyl-6H-pyrido[4,3-b]carbazolium iodide","9-hydroxy-1,2,5-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",[I-].Cc1c2cc[n+](C)c(C)c2cc3c4cc(O)ccc4[nH]c13,[I-].Cc1c2cc[n+](C)c(C)c2cc3c4cc(O)ccc4[nH]c13,"InChI=1/C18H16N2O.HI/c1-10-13-6-7-20(3)11(2)14(13)9-16-15-8-12(21)4-5-17(15)19-18(10)16;/h4-9,21H,1-3H3;1H",C18H17N2O.I,,,,,,CSAGFNJWWQIQNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.098,303-554-4,94200-75-6,Sodium 2-decyltetradecyl sulphate,sodium 2-decyltetradecyl sulfate,[Na+].CCCCCCCCCCCCC(CCCCCCCCCC)COS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCC(CCCCCCCCCC)COS(=O)(=O)[O-],"InChI=1/C24H50O4S.Na/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-28-29(25,26)27)21-19-17-15-12-10-8-6-4-2;/h24H,3-23H2,1-2H3,(H,25,26,27);/q;+1/p-1",C24H50O4S.Na,,,,,,ZMDFLAWCHZSMAU-UHFFFAOYSA-M,,,,,,,,,,,
100.094.101,303-558-6,94200-78-9,"1,5-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide","1,5-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide",Br.Cc1nccc2c(C)c3[nH]c4ccc(O)cc4c3cc12,Br.Cc1nccc2c(C)c3[nH]c4ccc(O)cc4c3cc12,"InChI=1/C17H14N2O.BrH/c1-9-12-5-6-18-10(2)13(12)8-15-14-7-11(20)3-4-16(14)19-17(9)15;/h3-8,19-20H,1-2H3;1H",C17H14N2O.BrH,,,,,,OMFRORNSMNNNKG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.104,303-561-2,94200-81-4,"1,3-dimethyl-4,6-bis(vinylsulphonyl)benzene","1,5-dimethyl-2,4-bis(vinylsulfonyl)benzene",Cc1cc(C)c(cc1S(=O)(=O)C=C)S(=O)(=O)C=C,Cc1cc(C)c(cc1S(=O)(=O)C=C)S(=O)(=O)C=C,"InChI=1/C12H14O4S2/c1-5-17(13,14)11-8-12(18(15,16)6-2)10(4)7-9(11)3/h5-8H,1-2H2,3-4H3",C12H14O4S2,,,,,,BGZJIFCQZFIYJP-UHFFFAOYSA-N,,,,,,,,,,,
100.095.060,304-612-1,94277-29-9,2-decyltetradecyl octanoate,2-decyltetradecyl octanoate,CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)CCCCCCC,CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)CCCCCCC,"InChI=1/C32H64O2/c1-4-7-10-13-15-17-18-20-23-25-28-31(27-24-22-19-16-14-11-8-5-2)30-34-32(33)29-26-21-12-9-6-3/h31H,4-30H2,1-3H3",C32H64O2,,,,,,FNKSKKWQOFTCEG-UHFFFAOYSA-N,,,,,,,,,,,
100.095.072,304-625-2,94277-42-6,Benzylbis(2-ethylhexyl)methylammonium chloride,N-benzyl-2-ethyl-N-(2-ethylhexyl)-N-methylhexan-1-aminium chloride,[Cl-].CCCCC(CC)C[N+](C)(CC(CC)CCCC)Cc1ccccc1,[Cl-].CCCCC(CC)C[N+](C)(CC(CC)CCCC)Cc1ccccc1,"InChI=1/C24H44N.ClH/c1-6-10-15-22(8-3)19-25(5,20-23(9-4)16-11-7-2)21-24-17-13-12-14-18-24;/h12-14,17-18,22-23H,6-11,15-16,19-21H2,1-5H3;1H/q+1;/p-1",C24H44N.Cl,,,,,,BQQCAPXEKWTBKD-UHFFFAOYSA-M,,,,,,,,,,,
100.095.075,304-628-9,94277-45-9,Allyltributylammonium chloride,"N-allyl-N,N-dibutylbutan-1-aminium chloride",[Cl-].CCCC[N+](CCCC)(CCCC)CC=C,[Cl-].CCCC[N+](CCCC)(CCCC)CC=C,"InChI=1/C15H32N.ClH/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h8H,4-7,9-15H2,1-3H3;1H/q+1;/p-1",C15H32N.Cl,,,,,,NELXXSFAXNBCEP-UHFFFAOYSA-M,,,,,,,,,,,
100.089.580,298-585-2,93820-01-0,5-(3-sulphopropoxy)isophthalic acid,5-(3-sulfopropoxy)isophthalic acid,OC(=O)c1cc(OCCCS(=O)(=O)O)cc(c1)C(=O)O,OC(=O)c1cc(OCCCS(=O)(=O)O)cc(c1)C(=O)O,"InChI=1/C11H12O8S/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18/h4-6H,1-3H2,(H,12,13)(H,14,15)(H,16,17,18)",C11H12O8S,,,,,,UTCFIWKVMIMCFB-UHFFFAOYSA-N,,,,,,,,,,,
100.092.169,301-432-5,94021-37-1,"Dipotassium 7-hydroxy-8-(phenylazo)naphthalene-1,3-disulphonate","dipotassium 7-hydroxy-8-(phenyldiazenyl)naphthalene-1,3-disulfonate",[K+].[K+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O,[K+].[K+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O,"InChI=1/C16H12N2O7S2.2K/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",C16H12N2O7S2.2K,,,,,,FEWCGGQNYOULMR-UHFFFAOYSA-L,,,,,,,,,,,
100.092.170,301-433-0,94021-38-2,"4-chloro-3-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-chloro-3-(4-{[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\\C)=N/N(c1cc(ccc1Cl)S(O)(=O)=O)C2=O,Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S(O)(=O)=O)C2=O,"InChI=1/C22H15Cl3N4O5S/c1-12-21(22(30)29(28-12)18-11-14(35(31,32)33)7-8-15(18)24)27-26-17-10-13(23)6-9-20(17)34-19-5-3-2-4-16(19)25/h2-11,21H,1H3,(H,31,32,33)",C22H15Cl3N4O5S,,,,,,KBKLKHJKTXJHPE-UHFFFAOYSA-N,,,,,,,,,,,
100.092.173,301-436-7,94021-41-7,2-(5-methylthiazol-4-yl)ethyl acetate,"2-(5-methyl-1,3-thiazol-4-yl)ethyl acetate",CC(=O)OCCc1ncsc1C,CC(=O)OCCc1ncsc1C,"InChI=1/C8H11NO2S/c1-6-8(9-5-12-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3",C8H11NO2S,,,,,,HRVQAYSAODWHDV-UHFFFAOYSA-N,,,,,,,,,,,
100.092.194,301-459-2,94021-64-4,"3a,4,5,6,7,7a-hexahydrodimethyl-4,7-methano-1H-indene","1,1-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene",CC1(C)C=CC2C3CCC(C3)C12,CC1(C)C=CC2C3CCC(C3)C12,"InChI=1/C12H18/c1-12(2)6-5-10-8-3-4-9(7-8)11(10)12/h5-6,8-11H,3-4,7H2,1-2H3",C12H18,,,,,,ODJKOBNVDOOYOP-UHFFFAOYSA-N,,,,,,,,,,,
100.092.195,301-460-8,94021-65-5,"1-(3a,4,5,6,7,7a-hexahydrodimethyl-4,7-methano-1H-indenyl)ethanone","1-(1,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-yl)ethanone",CC(=O)C1(C)C2C3CCC(C3)C2C=C1C,CC(=O)C1(C)C2C3CCC(C3)C2C=C1C,"InChI=1/C14H20O/c1-8-6-12-10-4-5-11(7-10)13(12)14(8,3)9(2)15/h6,10-13H,4-5,7H2,1-3H3",C14H20O,,,,,,KIQFRSHDORGMDP-UHFFFAOYSA-N,,,,,,,,,,,
100.085.267,293-829-4,91399-51-8,"Aluminium, compound with cerium (1:2)",aluminum - cerium (1:2),[AlH3].[Ce].[Ce],[AlH3].[Ce].[Ce],InChI=1/Al.2Ce.3H/q3*+3;;;/rAlH3.2Ce/h1H3;;/q3*+3,Al.Ce,,,,,,TWYWNFZHEFQMNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.085.271,293-834-1,91458-01-4,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methylcyclohexane,4-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-1-methylcyclohexane,CC1CCC(CC1CC2CCC(CC2)N=C=O)N=C=O,CC1CCC(CC1CC2CCC(CC2)N=C=O)N=C=O,"InChI=1/C16H24N2O2/c1-12-2-5-16(18-11-20)9-14(12)8-13-3-6-15(7-4-13)17-10-19/h12-16H,2-9H2,1H3",C16H24N2O2,,,,,,XSPXKFCITIIGRV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.456,288-533-7,85750-08-9,Ethyl 5-chloro-2-oxo-2H-benzothiazole-3-acetate,"ethyl (5-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate",CCOC(=O)CN1C(=O)Sc2ccc(Cl)cc12,CCOC(=O)CN1C(=O)Sc2ccc(Cl)cc12,"InChI=1/C11H10ClNO3S/c1-2-16-10(14)6-13-8-5-7(12)3-4-9(8)17-11(13)15/h3-5H,2,6H2,1H3",C11H10ClNO3S,,,,,,OYYYOYUUAGTANC-UHFFFAOYSA-N,,,,,,,,,,,
100.080.458,288-535-8,85750-10-3,"2-[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]-2,4-dihydro-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]-3H-pyrazol-3-one","2-[(4-methoxy-3-{3-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl acetate",CC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C3=O,CC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C3=O,"InChI=1/C22H23N5O8S/c1-13-5-7-17(18(11-13)27(30)31)23-24-21-14(2)25-26(22(21)29)19-12-16(6-8-20(19)34-4)36(32,33)10-9-35-15(3)28/h5-8,11-12,21H,9-10H2,1-4H3",C22H23N5O8S,,,,,,YCPGPBLERLNEKN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.461,288-538-4,85750-13-6,4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline,4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-(1-isobutoxyethoxy)ethyl]aniline,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOC(C)OCC(C)C)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCOC(C)OCC(C)C)[N+]([O-])=O,"InChI=1/C22H29ClN4O4/c1-5-26(12-13-30-17(4)31-15-16(2)3)19-8-6-18(7-9-19)24-25-22-11-10-20(27(28)29)14-21(22)23/h6-11,14,16-17H,5,12-13,15H2,1-4H3",C22H29ClN4O4,,,,,,VWRRSPVNTFSBNV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.462,288-540-5,85750-14-7,"Sodium 2-[[[2-chloro-4-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-hydroxyphenyl]sulphonyl]amino]benzoate","sodium 2-{[(2-chloro-4-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-hydroxyphenyl)sulfonyl]amino}benzoate",[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1cc(O)c(cc1Cl)N=NC3C(\\C)=N/N(c2cc(Cl)ccc2)C3=O,[Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1cc(O)c(cc1Cl)N=NC3C(\C)=N/N(c2cc(Cl)ccc2)C3=O,"InChI=1/C23H17Cl2N5O6S.Na/c1-12-21(22(32)30(28-12)14-6-4-5-13(24)9-14)27-26-18-10-16(25)20(11-19(18)31)37(35,36)29-17-8-3-2-7-15(17)23(33)34;/h2-11,21,29,31H,1H3,(H,33,34);/q;+1/p-1",C23H17Cl2N5O6S.Na,,,,,,ZSNAWJQXWUXEBG-UHFFFAOYSA-M,,,,,,,,,,,
100.095.696,305-312-3,94441-87-9,1-phenyl-1-(2-phenylpropyl)indan,1-phenyl-1-(2-phenylpropyl)indane,CC(CC1(CCc2ccccc12)c3ccccc3)c4ccccc4,CC(CC1(CCc2ccccc12)c3ccccc3)c4ccccc4,"InChI=1/C24H24/c1-19(20-10-4-2-5-11-20)18-24(22-13-6-3-7-14-22)17-16-21-12-8-9-15-23(21)24/h2-15,19H,16-18H2,1H3",C24H24,,,,,,IMTUFPZDVRZSBQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.697,305-313-9,94441-88-0,"2,2,7,7-tetramethyloctane-3,6-dithione","2,2,7,7-tetramethyloctane-3,6-dithione",CC(C)(C)C(=S)CCC(=S)C(C)(C)C,CC(C)(C)C(=S)CCC(=S)C(C)(C)C,"InChI=1/C12H22S2/c1-11(2,3)9(13)7-8-10(14)12(4,5)6/h7-8H2,1-6H3",C12H22S2,,,,,,ANUNCVWREULBJL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.703,305-320-7,94441-95-9,"N6-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-lysine, compound with cyclohexylamine (1:1)",N~6~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-lysine - cyclohexanamine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H](N)C(=O)O.NC3CCCCC3,CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H](N)C(=O)O.NC3CCCCC3,"InChI=1/C18H25N3O4S.C6H13N/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23;7-6-4-2-1-3-5-6/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23);6H,1-5,7H2",C18H25N3O4S.C6H13N,,,,,,XMJGSIBZVYMUQR-RSAXXLAASA-N,,,,,,,,,,,
100.095.704,305-321-2,94441-96-0,2-[[3-[4-(benzyl)-1-piperazinyl]propyl]thio]-1H-indole monohydrochloride,2-{[3-(4-benzylpiperazin-1-yl)propyl]sulfanyl}-1H-indole hydrochloride,Cl.C(CSc1cc2ccccc2[nH]1)CN3CCN(Cc4ccccc4)CC3,Cl.C(CSc1cc2ccccc2[nH]1)CN3CCN(Cc4ccccc4)CC3,"InChI=1/C22H27N3S.ClH/c1-2-7-19(8-3-1)18-25-14-12-24(13-15-25)11-6-16-26-22-17-20-9-4-5-10-21(20)23-22;/h1-5,7-10,17,23H,6,11-16,18H2;1H",C22H27N3S.ClH,,,,,,NLSGHWHLZQAOCD-UHFFFAOYSA-N,,,,,,,,,,,
100.095.709,305-327-5,94442-01-0,5-amino-6-hydroxytoluene-3-sulphonic acid,3-amino-4-hydroxy-5-methylbenzenesulfonic acid,Cc1cc(cc(N)c1O)S(=O)(=O)O,Cc1cc(cc(N)c1O)S(=O)(=O)O,"InChI=1/C7H9NO4S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3,9H,8H2,1H3,(H,10,11,12)",C7H9NO4S,,,,,,SZQZZSQCYWQUBY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.713,305-331-7,94442-05-4,2-chloro-4-(diethylamino)benzaldehyde 1-naphthylphenylhydrazone,"3-chloro-N,N-diethyl-4-[1-naphthyl(phenyl)carbonohydrazonoyl]aniline",CCN(CC)c1ccc(\\C=N\\N(c2ccccc2)c3cccc4ccccc34)c(Cl)c1,CCN(CC)c1ccc(\C=N\N(c2ccccc2)c3cccc4ccccc34)c(Cl)c1,"InChI=1/C27H26ClN3/c1-3-30(4-2)24-18-17-22(26(28)19-24)20-29-31(23-13-6-5-7-14-23)27-16-10-12-21-11-8-9-15-25(21)27/h5-20H,3-4H2,1-2H3",C27H26ClN3,,,,,,HMZSFCDBWLRHQN-ZTKZIYFRSA-N,,,,,,,,,,,
100.095.716,305-334-3,94442-09-8,3-[[[4-(aminomethyl)phenyl]methyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate,3-{[4-(aminomethyl)benzyl]amino}-2-hydroxypropyl 2-methyl-2-nonylundecanoate,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNCc1ccc(CN)cc1,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNCc1ccc(CN)cc1,"InChI=1/C32H58N2O3/c1-4-6-8-10-12-14-16-22-32(3,23-17-15-13-11-9-7-5-2)31(36)37-27-30(35)26-34-25-29-20-18-28(24-33)19-21-29/h18-21,30,34-35H,4-17,22-27,33H2,1-3H3",C32H58N2O3,,,,,,CSLBKKVVQPUUAS-UHFFFAOYSA-N,,,,,,,,,,,
100.095.718,305-336-4,94442-11-2,"4-anilino-2-[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]but-2-enenitrile","4-anilino-2-[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]but-2-enenitrile",N#CC(=CCNc1ccccc1)c2cc(OC)c(OCCOC)c(c2)OC,N#CC(=CCNc1ccccc1)c2cc(OC)c(OCCOC)c(c2)OC,"InChI=1/C21H24N2O4/c1-24-11-12-27-21-19(25-2)13-17(14-20(21)26-3)16(15-22)9-10-23-18-7-5-4-6-8-18/h4-9,13-14,23H,10-12H2,1-3H3",C22H26N2O4,,,,,,BUHRJFWLDBHDOO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.726,305-345-3,94442-19-0,"3,3-bis[4-(phosphonooxy)phenyl]benzofuran-2(3H)-one, tetrasodium salt","3,3-bis[4-(phosphonooxy)phenyl]benzofuran-2(3H)-one, tetrasodium salt",[Na+].[Na+].[Na+].[Na+].OP(=O)(O)Oc1ccc(cc1)C2(C(=O)Oc3ccccc23)c4ccc(OP(=O)(O)O)cc4,[Na+].[Na+].[Na+].[Na+].OP(=O)(O)Oc1ccc(cc1)C2(C(=O)Oc3ccccc23)c4ccc(OP(=O)(O)O)cc4,"InChI=1/C20H16O10P2.4Na/c21-19-20(17-3-1-2-4-18(17)28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;;;/q;4*+1",C20H16O10P2.4Na,,,,,,VCHDGCDXPODQFY-UHFFFAOYSA-N,,,,,,,,,,,
100.099.026,308-988-8,99587-10-7,Barium tetrachlorocadmate(2-),barium tetrachlorocadmate(2-),[Ba+2].Cl[Cd-2](Cl)(Cl)Cl,[Ba+2].Cl[Cd-2](Cl)(Cl)Cl,"InChI=1/Ba.Cd.4ClH/h;;4*1H/q2*+2;;;;/p-4/rBa.CdCl4/c;2-1(3,4)5/q+2;-2",Ba.CdCl4,,,,,,ISPBPZMSUYBPQH-UHFFFAOYSA-J,,,,,,,,,,,
100.099.028,308-990-9,99595-95-6,"(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid","2-(3,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1C(=NN(C1=O)c2ccccc2S(=O)(=O)O)C,CC1C(=NN(C1=O)c2ccccc2S(=O)(=O)O)C,"InChI=1/C11H12N2O4S/c1-7-8(2)12-13(11(7)14)9-5-3-4-6-10(9)18(15,16)17/h3-7H,1-2H3,(H,15,16,17)",C11H12N2O4S,,,,,,BZLJBHZGIIPRGB-UHFFFAOYSA-N,,,,,,,,,,,
100.099.038,309-001-3,99670-28-7,"1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate, compound with 2-aminoethanol (1:1)","16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl dihydrogen phosphate - 2-aminoethanol (1:1)",NCCO.OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1,NCCO.OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1,"InChI=1/C17H29O9P.C2H7NO/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17;3-1-2-4/h1-5H,6-16H2,(H2,18,19,20);4H,1-3H2",C17H29O9P.C2H7NO,,,,,,ZIEKPWHVLMGFPR-UHFFFAOYSA-N,,,,,,,,,,,
100.097.593,307-403-3,97635-43-3,"2-methylbutyl 2-(2,4-dichlorophenoxy)propionate","2-methylbutyl 2-(2,4-dichlorophenoxy)propanoate",CCC(C)COC(=O)C(C)Oc1ccc(Cl)cc1Cl,CCC(C)COC(=O)C(C)Oc1ccc(Cl)cc1Cl,"InChI=1/C14H18Cl2O3/c1-4-9(2)8-18-14(17)10(3)19-13-6-5-11(15)7-12(13)16/h5-7,9-10H,4,8H2,1-3H3",C14H18Cl2O3,,,,,,IFRYPSDRUFLKRK-UHFFFAOYSA-N,,,,,,,,,,,
100.097.594,307-404-9,97635-44-4,"2-methylbutyl (2,4,5-trichlorophenoxy)acetate","2-methylbutyl (2,4,5-trichlorophenoxy)acetate",CCC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,CCC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,"InChI=1/C13H15Cl3O3/c1-3-8(2)6-19-13(17)7-18-12-5-10(15)9(14)4-11(12)16/h4-5,8H,3,6-7H2,1-2H3",C13H15Cl3O3,,,,,,CEAIEBOCMZRRGC-UHFFFAOYSA-N,,,,,,,,,,,
100.097.604,307-415-9,97635-54-6,"5-oxo-DL-proline, compound with triethylamine (1:1)","5-oxo-L-proline - N,N-diethylethanamine (1:1)",CCN(CC)CC.OC(=O)[C@@H]1CCC(=O)N1,CCN(CC)CC.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H15N.C5H7NO3/c1-4-7(5-2)6-3;7-4-2-1-3(6-4)5(8)9/h4-6H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)",C6H15N.C5H7NO3,,,,,,WODZFXHFPCFWTG-HVDRVSQOSA-N,,,,,,,,,,,
100.097.608,307-420-6,97635-58-0,"5-oxo-DL-proline, compound with L-ornithine (1:1)",5-oxo-L-proline - L-ornithine (1:1),NCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,NCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H12N2O2.C5H7NO3/c6-3-1-2-4(7)5(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,6-7H2,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)",C5H12N2O2.C5H7NO3,,,,,,TYQDOIOMUGXJOC-WOYAITHZSA-N,,,,,,,,,,,
100.097.618,307-431-6,97659-28-4,"5-ethyl-2,6-bis(isopropyl)-5-methylcyclohex-2-en-1-one","5-ethyl-2,6-diisopropyl-5-methylcyclohex-2-en-1-one",CCC1(C)CC=C(C(C)C)C(=O)C1C(C)C,CCC1(C)CC=C(C(C)C)C(=O)C1C(C)C,"InChI=1/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h8,10-11,13H,7,9H2,1-6H3",C15H26O,,,,,,APXJDWRZHXGCPY-UHFFFAOYSA-N,,,,,,,,,,,
100.097.621,307-434-2,97659-31-9,"Octanoic acid, compound with 1,1-dimethyldecylamine (1:1)",octanoic acid - 2-methylundecan-2-amine (1:1),CCCCCCCCCC(C)(C)N.CCCCCCCC(=O)O,CCCCCCCCCC(C)(C)N.CCCCCCCC(=O)O,"InChI=1/C12H27N.C8H16O2/c1-4-5-6-7-8-9-10-11-12(2,3)13;1-2-3-4-5-6-7-8(9)10/h4-11,13H2,1-3H3;2-7H2,1H3,(H,9,10)",C12H27N.C8H16O2,,,,,,ULBYDEYDFHXUST-UHFFFAOYSA-N,,,,,,,,,,,
100.099.130,309-105-9,100021-79-2,(2-aminoethyl)ammonium palmitate,2-aminoethanaminium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].NCC[NH3+],CCCCCCCCCCCCCCCC(=O)[O-].NCC[NH3+],"InChI=1/C16H32O2.C2H8N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3-1-2-4/h2-15H2,1H3,(H,17,18);1-4H2",C16H32O2.C2H8N2,,,,,,ITWATCMIPRAPEE-UHFFFAOYSA-N,,,,,,,,,,,
100.099.131,309-106-4,100021-80-5,(2-aminoethyl)oleoylammonium dihydrogen phosphate,N-(2-aminoethyl)-1-oxooctadec-9-en-1-aminium dihydrogen phosphate,CCCCCCCC\\C=C/CCCCCCCC(=O)[NH2+]CCN.[O-]P(=O)([O-])[O-],CCCCCCCC\C=C/CCCCCCCC(=O)[NH2+]CCN.[O-]P(=O)([O-])[O-],"InChI=1/C20H40N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21;1-5(2,3)4/h9-10H,2-8,11-19,21H2,1H3,(H,22,23);(H3,1,2,3,4)/p-2",C20H40N2O.xH3O4P,,,,,,UMIWJUPRWKLHSD-KVVVOXFISA-L,,,,,,,,,,,
100.099.132,309-108-5,100021-81-6,N-(2-aminoethyl)stearamide phosphate,N-(2-aminoethyl)octadecanamide phosphate,CCCCCCCCCCCCCCCCCC(=O)NCCN.OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN.OP(=O)(O)O,"InChI=1/C20H42N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21;1-5(2,3)4/h2-19,21H2,1H3,(H,22,23);(H3,1,2,3,4)",C20H42N2O.xH3O4P,,,,,,PPBFBAUMQRQBIT-UHFFFAOYSA-N,,,,,,,,,,,
100.099.135,309-111-1,100021-84-9,"Stearic acid, compound with ethane-1,2-diamine phosphate","stearic acid, compound with ethane-1,2-diamine phosphate",CCCCCCCCCCCCCCCCCC(=O)O.NCCN.OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)O.NCCN.OP(=O)(O)O,"InChI=1/C18H36O2.C2H8N2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4;1-5(2,3)4/h2-17H2,1H3,(H,19,20);1-4H2;(H3,1,2,3,4)",C18H36O2.xC2H8N2.xH3O4P,,,,,,YVVCEMHZXXJLOI-UHFFFAOYSA-N,,,,,,,,,,,
100.098.058,307-914-1,97806-23-0,"3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethylnaphthalene-1-acetaldehyde","(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)acetaldehyde",CC1=C(CC=O)C2(C)CCCC(C)(C)C2CC1,CC1=C(CC=O)C2(C)CCCC(C)(C)C2CC1,"InChI=1/C16H26O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h11,14H,5-10H2,1-4H3",C16H26O,,,,,,PXUZFGJDDMUKKY-UHFFFAOYSA-N,,,,,,,,,,,
100.098.060,307-916-2,97808-01-0,4-(p-tolylamino)piperidine-4-carboxamide monohydrochloride,4-[(4-methylphenyl)amino]piperidine-4-carboxamide hydrochloride,Cl.Cc1ccc(NC2(CCNCC2)C(=O)N)cc1,Cl.Cc1ccc(NC2(CCNCC2)C(=O)N)cc1,"InChI=1/C13H19N3O.ClH/c1-10-2-4-11(5-3-10)16-13(12(14)17)6-8-15-9-7-13;/h2-5,15-16H,6-9H2,1H3,(H2,14,17);1H",C13H19N3O.ClH,,,,,,RSMQYTZNGSTVPS-UHFFFAOYSA-N,,,,,,,,,,,
100.099.245,309-231-4,100208-31-9,Hexyl 3-[[3-[(3-ethyloxiranyl)methyl]oxiranyl]methyl]oxiran-2-octanoate,"1,2:4,5:7,8-trianhydro-3,6,9,10-tetradeoxy-1-[8-(hexyloxy)-8-oxooctyl]decitol",CCCCCCOC(=O)CCCCCCCC1OC1CC2OC2CC3OC3CC,CCCCCCOC(=O)CCCCCCCC1OC1CC2OC2CC3OC3CC,"InChI=1/C24H42O5/c1-3-5-6-12-15-26-24(25)14-11-9-7-8-10-13-19-21(28-19)17-23-22(29-23)16-20-18(4-2)27-20/h18-23H,3-17H2,1-2H3",C24H42O5,,,,,,ODDDMQMTMZOLCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.076,304-629-4,94277-46-0,Tributylethylammonium hydrogen carbonate,"N,N-dibutyl-N-ethylbutan-1-aminium hydrogen carbonate",CCCC[N+](CC)(CCCC)CCCC.[O-]C(=O)[O-],CCCC[N+](CC)(CCCC)CCCC.[O-]C(=O)[O-],"InChI=1/C14H32N.CH2O3/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;2-1(3)4/h5-14H2,1-4H3;(H2,2,3,4)/q+1;/p-2",C14H32N.CHO3,,,,,,VFJJWBQTWHPOHT-UHFFFAOYSA-L,,,,,,,,,,,
100.094.114,303-572-2,94200-92-7,"4-(1,1-dimethylpropyl)-a-methylcyclohexene-1-propan-1-al","3-[4-(1,1-dimethylpropyl)cyclohex-1-en-1-yl]-2-methylpropanal",CCC(C)(C)C1CCC(=CC1)CC(C)C=O,CCC(C)(C)C1CCC(=CC1)CC(C)C=O,"InChI=1/C15H26O/c1-5-15(3,4)14-8-6-13(7-9-14)10-12(2)11-16/h6,11-12,14H,5,7-10H2,1-4H3",C15H26O,,,,,,FMFYFUNZTWZIGO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.118,303-576-4,94200-96-1,4-(3-ethyl-5-methylcyclohexylidene)-2-buten-1-yl acetate,4-(3-ethyl-5-methylcyclohexylidene)but-2-en-1-yl acetate,CC(=O)OCC=CC=C1CC(C)CC(C1)CC,CC(=O)OCC=CC=C1CC(C)CC(C1)CC,"InChI=1/C15H24O2/c1-4-14-9-12(2)10-15(11-14)7-5-6-8-17-13(3)16/h5-7,12,14H,4,8-11H2,1-3H3",C15H24O2,,,,,,ULDRZFWQYAWGLO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.119,303-578-5,94200-97-2,4-(3-ethyl-5-methylcyclohexyl)-2-butenal,4-(3-ethyl-5-methylcyclohexyl)but-2-enal,CC1CC(CC=CC=O)CC(C1)CC,CC1CC(CC=CC=O)CC(C1)CC,"InChI=1/C13H22O/c1-3-12-8-11(2)9-13(10-12)6-4-5-7-14/h4-5,7,11-13H,3,6,8-10H2,1-2H3",C13H22O,,,,,,LRYSDMSJOLOIPW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.120,303-579-0,94200-98-3,"6-(isopropyl)-ß,3-dimethylcyclohexene-1-propan-1-ol",3-(6-isopropyl-3-methylcyclohex-1-en-1-yl)-2-methylpropan-1-ol,CC(C)C1CCC(C)C=C1CC(C)CO,CC(C)C1CCC(C)C=C1CC(C)CO,"InChI=1/C14H26O/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h7,10-12,14-15H,5-6,8-9H2,1-4H3",C14H26O,,,,,,KVQDTABZFLWZRH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.121,303-580-6,94200-99-4,2-(isopropyl)-ß-methylcyclohexanepropanol,3-(2-isopropylcyclohexyl)-2-methylpropan-1-ol,CC(CO)CC1CCCCC1C(C)C,CC(CO)CC1CCCCC1C(C)C,"InChI=1/C13H26O/c1-10(2)13-7-5-4-6-12(13)8-11(3)9-14/h10-14H,4-9H2,1-3H3",C13H26O,,,,,,FJLMKTWTPFOFCT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.253,303-725-3,94213-23-7,"(Z)-[cyano(2,3-dichlorophenyl)methylene]carbazamidine","2-[cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide",NC(=N)N\\N=C(/C#N)\\c1cccc(Cl)c1Cl,NC(=N)N\N=C(/C#N)\c1cccc(Cl)c1Cl,"InChI=1/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)",C9H7Cl2N5,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1033,https://echa.europa.eu/substance-information/-/substanceinfo/100.094.253,BXDSJOGMJUKSAE-VIZOYTHASA-N,,,,,,,,,,,
100.094.259,303-732-1,94213-29-3,1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methylcyclohexane,1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methylcyclohexane,CC1C(CC2CCCCC2N=C=O)CCCC1N=C=O,CC1C(CC2CCCCC2N=C=O)CCCC1N=C=O,"InChI=1/C16H24N2O2/c1-12-13(6-4-8-15(12)17-10-19)9-14-5-2-3-7-16(14)18-11-20/h12-16H,2-9H2,1H3",C16H24N2O2,,,,,,KDAXAQDZNIOWKC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.261,303-734-2,94213-31-7,"2-[(3-amino-4-methylphenyl)methyl]benzene-1,3-diamine","2-(3-amino-4-methylbenzyl)benzene-1,3-diamine",Cc1ccc(Cc2c(N)cccc2N)cc1N,Cc1ccc(Cc2c(N)cccc2N)cc1N,"InChI=1/C14H17N3/c1-9-5-6-10(8-14(9)17)7-11-12(15)3-2-4-13(11)16/h2-6,8H,7,15-17H2,1H3",C14H17N3,,,,,,KSCQGJYKWUJKCO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.264,303-737-9,94213-34-0,"4-[(3-amino-4-methylphenyl)methyl]benzene-1,3-diamine","4-(3-amino-4-methylbenzyl)benzene-1,3-diamine",Cc1ccc(Cc2ccc(N)cc2N)cc1N,Cc1ccc(Cc2ccc(N)cc2N)cc1N,"InChI=1/C14H17N3/c1-9-2-3-10(7-13(9)16)6-11-4-5-12(15)8-14(11)17/h2-5,7-8H,6,15-17H2,1H3",C14H17N3,,,,,,KMTUQVMVPGNEBE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.273,303-747-3,94213-43-1,"3-[1-(2,3-dichlorophenyl)ethylidene]carbazamidine","2-[1-(2,3-dichlorophenyl)ethylidene]hydrazinecarboximidamide",Clc1c(cccc1Cl)C(C)=NNC(N)=N,Clc1c(cccc1Cl)C(C)=NNC(N)=N,"InChI=1/C9H10Cl2N4/c1-5(14-15-9(12)13)6-3-2-4-7(10)8(6)11/h2-4H,1H3,(H4,12,13,15)",C9H10Cl2N4,,,,,,MLWONQDCGJOILV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.274,303-748-9,94213-44-2,"3-(4,5-dihydro-1H-imidazol-2-yl)aniline dihydrochloride","3-(4,5-dihydro-1H-imidazol-2-yl)aniline dihydrochloride",Cl.Cl.Nc1cccc(c1)C2=NCCN2,Cl.Cl.Nc1cccc(c1)C2=NCCN2,"InChI=1/C9H11N3.2ClH/c10-8-3-1-2-7(6-8)9-11-4-5-12-9;;/h1-3,6H,4-5,10H2,(H,11,12);2*1H",C9H11N3.2ClH,,,,,,XIBVVWTZCORFKB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.876,304-410-3,94266-04-3,"tert-butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","tert-butyl ethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC,CCCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC,"InChI=1/C19H31NO4/c1-8-10-11-14-15(17(21)23-9-2)12(3)20-13(4)16(14)18(22)24-19(5,6)7/h14,20H,8-11H2,1-7H3",C19H31NO4,,,,,,PRGMGHRCXVBSGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.877,304-411-9,94266-05-4,"tert-butyl ethyl 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate","tert-butyl ethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate",CCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC,CCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC,"InChI=1/C18H29NO4/c1-8-10-13-14(16(20)22-9-2)11(3)19-12(4)15(13)17(21)23-18(5,6)7/h13,19H,8-10H2,1-7H3",C18H29NO4,,,,,,FYIUEUSBPGCPDI-UHFFFAOYSA-N,,,,,,,,,,,
100.095.116,304-673-4,94277-89-1,"6-(2-methoxyethoxy)-6-octyl-2,5,7,10-tetraoxa-6-silaundecane","6-(2-methoxyethoxy)-6-octyl-2,5,7,10-tetraoxa-6-silaundecane",CCCCCCCC[Si](OCCOC)(OCCOC)OCCOC,CCCCCCCC[Si](OCCOC)(OCCOC)OCCOC,"InChI=1/C17H38O6Si/c1-5-6-7-8-9-10-17-24(21-14-11-18-2,22-15-12-19-3)23-16-13-20-4/h5-17H2,1-4H3",C17H38O6Si,,,,,,LPPVYLWWCCCYMV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.465,288-543-1,85750-17-0,"Disodium 4-amino-5-hydroxy-6-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-6-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc3cc(ccc3C)S(=O)(=O)Nc4ccccc4)c5O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc3cc(ccc3C)S(=O)(=O)Nc4ccccc4)c5O)S([O-])(=O)=O,"InChI=1/C29H23N7O11S3.2Na/c1-16-7-12-21(48(40,41)35-19-5-3-2-4-6-19)15-22(16)32-34-28-24(50(45,46)47)14-17-13-23(49(42,43)44)27(26(30)25(17)29(28)37)33-31-18-8-10-20(11-9-18)36(38)39;;/h2-15,35,37H,30H2,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C29H23N7O11S3.2Na,,,,,,HQLUHSRIXMXAEY-UHFFFAOYSA-L,,,,,,,,,,,
100.080.467,288-545-2,85750-19-2,3-hydroxy-4-[[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulphonyl]phenyl]azo]-N-(2-methoxyphenyl)naphthalene-2-carboxamide,2-{[3-({2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl}diazenyl)-4-methoxyphenyl]sulfonyl}ethyl propionate,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)S(=O)(=O)CCOC(=O)CC,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OC)c2O)S(=O)(=O)CCOC(=O)CC,"InChI=1/C30H29N3O8S/c1-4-27(34)41-15-16-42(37,38)20-13-14-26(40-3)24(18-20)32-33-28-21-10-6-5-9-19(21)17-22(29(28)35)30(36)31-23-11-7-8-12-25(23)39-2/h5-14,17-18,35H,4,15-16H2,1-3H3,(H,31,36)",C30H29N3O8S,,,,,,UKPVMFRQHJLLPY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.469,288-547-3,85750-21-6,"2-[2-[4-[benzyl(2-cyanoethyl)amino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride","2-(2-{4-[benzyl(2-cyanoethyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium chloride",[Cl-].C[N+]1=C(\\C=C\\c2ccc(cc2)N(CCC#N)Cc3ccccc3)C(C)(C)c4ccccc14,[Cl-].C[N+]1=C(\C=C\c2ccc(cc2)N(CCC#N)Cc3ccccc3)C(C)(C)c4ccccc14,"InChI=1/C29H30N3.ClH/c1-29(2)26-12-7-8-13-27(26)31(3)28(29)19-16-23-14-17-25(18-15-23)32(21-9-20-30)22-24-10-5-4-6-11-24;/h4-8,10-19H,9,21-22H2,1-3H3;1H/q+1;/p-1",C29H30N3.Cl,,,,,,IHKAORHSFQAYNL-UHFFFAOYSA-M,,,,,,,,,,,
100.079.993,288-022-9,85631-74-9,"Tetrasodium 4-amino-3,6-bis[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","tetrasodium 4-amino-3,6-bis({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(c(N=Nc4c(cc3cc(c(N=Nc2cc(Nc1nc(N)nc(Cl)n1)ccc2S([O-])(=O)=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5)S([O-])(=O)=O)nc(Cl)n6,[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(c(N=Nc4c(cc3cc(c(N=Nc2cc(Nc1nc(N)nc(Cl)n1)ccc2S([O-])(=O)=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5)S([O-])(=O)=O)nc(Cl)n6,"InChI=1/C28H21Cl2N15O13S4.4Na/c29-23-36-25(32)40-27(38-23)34-10-1-3-14(59(47,48)49)12(7-10)42-44-20-16(61(53,54)55)5-9-6-17(62(56,57)58)21(22(46)18(9)19(20)31)45-43-13-8-11(2-4-15(13)60(50,51)52)35-28-39-24(30)37-26(33)41-28;;;;/h1-8,46H,31H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H3,32,34,36,38,40)(H3,33,35,37,39,41);;;;/q;4*+1/p-4",C28H21Cl2N15O13S4.4Na,,,,,,ORAUROUWISTJCC-UHFFFAOYSA-J,,,,,,,,,,,
100.079.996,288-026-0,85631-77-2,"Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5,"InChI=1/C27H22ClN7O11S3.3Na/c1-35(15-6-4-3-5-7-15)27-31-25(28)30-26(32-27)29-19-13-17(47(37,38)39)10-14-11-21(49(43,44)45)23(24(36)22(14)19)34-33-18-9-8-16(46-2)12-20(18)48(40,41)42;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",C27H22ClN7O11S3.3Na,,,,,,ROOXOSRUUHTHSX-UHFFFAOYSA-K,,,,,,,,,,,
100.085.316,293-883-9,91648-24-7,"1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether","2,2-bis(hydroxymethyl)propane-1,3-diol - 3,3'-oxybisprop-1-ene (1:1)",OCC(CO)(CO)CO.C=CCOCC=C,OCC(CO)(CO)CO.C=CCOCC=C,"InChI=1/C6H10O.C5H12O4/c1-3-5-7-6-4-2;6-1-5(2-7,3-8)4-9/h3-4H,1-2,5-6H2;6-9H,1-4H2",-,,,,,,MMBRVADMHOWYDK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.491,288-571-4,85761-29-1,"(S)-1-benzoyl-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide","1-benzoyl-N,N-dimethyl-5-oxo-L-prolinamide",CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccccc2,"InChI=1/C14H16N2O3/c1-15(2)14(19)11-8-9-12(17)16(11)13(18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3",C14H16N2O3,,,,,,SRLILHXVMQVLKF-NSHDSACASA-N,,,,,,,,,,,
100.079.787,287-796-5,85585-93-9,"Carbonic acid, aluminum magnesium salt, basic",-,[Mg+2].[Al+3].[O-]C(=O)[O-],[Mg+2].[Al+3].[O-]C(=O)[O-],"InChI=1/CH2O3.Al.Mg/c2-1(3)4;;/h(H2,2,3,4);;/q;+3;+2/p-2",-,,,,,,UJOHNXQDVUADCG-UHFFFAOYSA-L,,,,,,,,,,,
100.080.290,288-349-7,85711-89-3,Ethylheptadecafluorooctane,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane",CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C10H5F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H2,1H3",C10H5F17,,,,,,JNAIMEWMJYVGEW-UHFFFAOYSA-N,,,,,,,,,,,
100.099.040,309-003-4,99670-30-1,"1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate, compound with 2,2',2''-nitrilotri[ethanol] (1:1)","16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1,OCCN(CCO)CCO.OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1,"InChI=1/C17H29O9P.C6H15NO3/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17;8-4-1-7(2-5-9)3-6-10/h1-5H,6-16H2,(H2,18,19,20);8-10H,1-6H2",C17H29O9P.C6H15NO3,,,,,,IDSSJTGEYMIWQQ-UHFFFAOYSA-N,,,,,,,,,,,
100.099.045,309-009-7,99688-43-4,"Sodium 2,5,8,11,14-pentaoxahexadecan-16-yl hydrogen phosphate","sodium 3,6,9,12,15-pentaoxahexadec-1-yl hydrogen phosphate",[Na+].[O-]P(O)(=O)OCCOCCOCCOCCOCCOC,[Na+].[O-]P(O)(=O)OCCOCCOCCOCCOCCOC,"InChI=1/C11H25O9P.Na/c1-15-2-3-16-4-5-17-6-7-18-8-9-19-10-11-20-21(12,13)14;/h2-11H2,1H3,(H2,12,13,14);/q;+1/p-1",C17H29O9P.Na,,,,,,AQCLCQSSUNCAHX-UHFFFAOYSA-M,,,,,,,,,,,
100.096.840,306-575-7,97337-81-0,"Sodium 1,3-benzodioxole-5-sulphonate","sodium 1,3-benzodioxole-5-sulfonate",[Na+].[O-]S(=O)(=O)c1ccc2OCOc2c1,[Na+].[O-]S(=O)(=O)c1ccc2OCOc2c1,"InChI=1/C7H6O5S.Na/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6;/h1-3H,4H2,(H,8,9,10);/q;+1/p-1",C7H6O5S.Na,,,,,,IUCZVTJTCOCKTN-UHFFFAOYSA-M,,,,,,,,,,,
100.096.847,306-583-0,97337-88-7,"1,2,3,4,5,6-hexa-O-octadec-9-en-1-yl-D-glucitol","1,2,3,4,5,6-hexa-O-octadec-9-en-1-yl-D-glucitol",CCCCCCCCC=CCCCCCCCCO[C@H]([C@H](OCCCCCCCCC=CCCCCCCCC)COCCCCCCCCC=CCCCCCCCC)[C@H](OCCCCCCCCC=CCCCCCCCC)[C@@H](OCCCCCCCCC=CCCCCCCCC)COCCCCCCCCC=CCCCCCCCC,CCCCCCCCC=CCCCCCCCCO[C@H]([C@H](OCCCCCCCCC=CCCCCCCCC)COCCCCCCCCC=CCCCCCCCC)[C@H](OCCCCCCCCC=CCCCCCCCC)[C@@H](OCCCCCCCCC=CCCCCCCCC)COCCCCCCCCC=CCCCCCCCC,"InChI=1/C114H218O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-103-115-109-111(117-105-99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)113(119-107-101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)114(120-108-102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)112(118-106-100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)110-116-104-98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h49-60,111-114H,7-48,61-110H2,1-6H3",C114H218O6,,,,,,IJHGPLLMPZZQLH-YBCDZZOYSA-N,,,,,,,,,,,
100.096.860,306-597-7,97338-02-8,"Ethyl (S)-a-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate","ethyl 3-{4-[bis(2-hydroxyethyl)amino]phenyl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate",CCOC(=O)[C@H](Cc1ccc(cc1)N(CCO)CCO)N2C(=O)c3ccccc3C2=O,CCOC(=O)[C@H](Cc1ccc(cc1)N(CCO)CCO)N2C(=O)c3ccccc3C2=O,"InChI=1/C23H26N2O6/c1-2-31-23(30)20(25-21(28)18-5-3-4-6-19(18)22(25)29)15-16-7-9-17(10-8-16)24(11-13-26)12-14-27/h3-10,20,26-27H,2,11-15H2,1H3",C23H26N2O6,,,,,,UZDFVDMFIZDHRK-FQEVSTJZSA-N,,,,,,,,,,,
100.096.861,306-598-2,97338-03-9,"Ethyl (S)-a-[(4-aminophenyl)methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate monohydrochloride","ethyl 3-(4-aminophenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate hydrochloride",Cl.CCOC(=O)[C@H](Cc1ccc(N)cc1)N2C(=O)c3ccccc3C2=O,Cl.CCOC(=O)[C@H](Cc1ccc(N)cc1)N2C(=O)c3ccccc3C2=O,"InChI=1/C19H18N2O4.ClH/c1-2-25-19(24)16(11-12-7-9-13(20)10-8-12)21-17(22)14-5-3-4-6-15(14)18(21)23;/h3-10,16H,2,11,20H2,1H3;1H",C19H18N2O4.ClH,,,,,,ZMHKWNAMOOTOSM-NTISSMGPSA-N,,,,,,,,,,,
100.096.863,306-600-1,97338-06-2,(2-hydroxyethyl)methylbis[2-(oleoyloxy)ethyl]ammonium methyl sulphate,"2-hydroxy-N-methyl-N,N-bis[2-(oleoyloxy)ethyl]ethanaminium methyl sulfate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCC\\C=C/CCCCCCCC.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCC\C=C/CCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C43H82NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,45H,4-17,22-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C43H82NO5.CH3O4S,,,,,,LEEPBJHNOBBYOU-YIQDKWKASA-M,,,,,,,,,,,
100.096.868,306-605-9,97338-13-1,"Tetracosane-1,2-diol","tetracosane-1,2-diol",CCCCCCCCCCCCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCCCCCCCCCCCC(O)CO,"InChI=1/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-25/h24-26H,2-23H2,1H3",C24H50O2,,,,,,PTSXVUICYWATQI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.870,306-608-5,97338-15-3,"6,6'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis[10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione]","6,6'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis(10-bromonaphtho[2,3-c]acridine-5,8,14(13H)-trione)",Clc1nc(Nc2cc3C(=O)c4cc(Br)ccc4Nc3c5C(=O)c6ccccc6C(=O)c25)nc(Nc7cc8C(=O)c9cc(Br)ccc9Nc8c%10C(=O)c%11ccccc%11C(=O)c7%10)n1,Clc1nc(Nc2cc3C(=O)c4cc(Br)ccc4Nc3c5C(=O)c6ccccc6C(=O)c25)nc(Nc7cc8C(=O)c9cc(Br)ccc9Nc8c%10C(=O)c%11ccccc%11C(=O)c7%10)n1,"InChI=1/C45H20Br2ClN7O6/c46-17-9-11-27-23(13-17)37(56)25-15-29(31-33(35(25)49-27)41(60)21-7-3-1-5-19(21)39(31)58)51-44-53-43(48)54-45(55-44)52-30-16-26-36(50-28-12-10-18(47)14-24(28)38(26)57)34-32(30)40(59)20-6-2-4-8-22(20)42(34)61/h1-16H,(H,49,56)(H,50,57)(H2,51,52,53,54,55)",C45H20Br2ClN7O6,,,,,,PYVRCLXPUGKHGC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.874,306-612-7,97338-19-7,Ammonium dysprosium(3+) disulphate,ammonium dysprosium(3+) disulphate,[NH4+].[Dy+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Dy+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Dy.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",Dy.H3N.2H2O4S,,,,,,MNLIRUYAJSIXHY-UHFFFAOYSA-K,,,,,,,,,,,
100.097.315,307-097-1,97489-53-7,"Phosphoric acid, ethyl ester, potassium salt",potassium ethyl hydrogen phosphate,[K+].CCOP(=O)(O)[O-],[K+].CCOP(=O)(O)[O-],"InChI=1/C2H7O4P.K/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);/q;+1/p-1",-,,,,,,YWBHIZNYYSZBFN-UHFFFAOYSA-M,,,,,,,,,,,
100.095.120,304-678-1,94277-93-7,Diethyl N-[3-(triethoxysilyl)propyl]-L-aspartate,diethyl N-[3-(triethoxysilyl)propyl]-L-aspartate,CCOC(=O)C[C@H](NCCC[Si](OCC)(OCC)OCC)C(=O)OCC,CCOC(=O)C[C@H](NCCC[Si](OCC)(OCC)OCC)C(=O)OCC,"InChI=1/C17H35NO7Si/c1-6-21-16(19)14-15(17(20)22-7-2)18-12-11-13-26(23-8-3,24-9-4)25-10-5/h15,18H,6-14H2,1-5H3",C17H35NO7Si,,,,,,NJENXARIYIZSNO-HNNXBMFYSA-N,,,,,,,,,,,
100.095.124,304-682-3,94277-97-1,Tetrapotassium [(hexylimino)bis(methylene)]bisphosphonate,tetrapotassium [(hexylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H21NO6P2.4K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4",C8H21NO6P2.4K,,,,,,UJDLTYPTRDSPDQ-UHFFFAOYSA-J,,,,,,,,,,,
100.096.629,306-343-5,97158-14-0,Barium hexachlorosilicate(2-),barium hexachlorosilicate(2-),[Ba+2].Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl,[Ba+2].Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/Ba.Cl6Si/c;1-7(2,3,4,5)6/q+2;-2",Ba.Cl6Si,,,,,,KCRFPDOJKIXSGK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.284,303-759-9,94213-55-5,"1-(3,4-dimethoxybenzyl)-2,3-dihydro-6,7-dimethoxyisoquinolinium chloride","1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2,3-dihydroisoquinolinium chloride",[Cl-].COC1=CC2=CC[NH2+]C(=C2C=C1OC)Cc3ccc(OC)c(OC)c3,[Cl-].COC1=CC2=CC[NH2+]C(=C2C=C1OC)Cc3ccc(OC)c(OC)c3,"InChI=1/C20H23NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-7,10-12,21H,8-9H2,1-4H3;1H",C20H23NO4.ClH,,,,,,MVTPOTQDXJYTFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.294,303-770-9,94213-65-7,"1-octadecyl hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)","4-(octadecyloxy)-4-oxo-3-sulfobutanoic acid - 2,2',2''-nitrilotriethanol (1:2)",CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,"InChI=1/C22H42O7S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;2*8-4-1-7(2-5-9)3-6-10/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*8-10H,1-6H2",C22H42O7S.2C6H15NO3,,,,,,VAHMCOGXUFFWOG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.298,303-775-6,94230-65-6,Tripotassium hydrogen [(tetradecylimino)bis(methylene)]diphosphonate,tripotassium hydrogen [(tetradecylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.3K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;;/q;3*+1/p-4",C16H37NO6P2.3K,,,,,,BPEPYZVMVDXVEE-UHFFFAOYSA-J,,,,,,,,,,,
100.094.300,303-777-7,94230-67-8,Dipotassium dihydrogen [(dodecylimino)bis(methylene)]bisphosphonate,dipotassium dihydrogen [(dodecylimino)bis(methylene)]bis(phosphonate),[K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.2K/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;/q;2*+1/p-4",C14H33NO6P2.2K,,,,,,YDKVFTAAWODGHT-UHFFFAOYSA-J,,,,,,,,,,,
100.094.302,303-779-8,94230-69-0,"Dipotassium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate","dipotassium dihydrogen {[(3,5,5-trimethylhexyl)imino]bis(methylene)}bis(phosphonate)",[K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,[K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,"InChI=1/C11H27NO6P2.2K/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;/q;2*+1/p-4",C11H27NO6P2.2K,,,,,,XDNCIMPVIMWTRR-UHFFFAOYSA-J,,,,,,,,,,,
100.094.305,303-782-4,94230-72-5,Dipotassium dihydrogen [(octylimino)bis(methylene)]bisphosphonate,dipotassium dihydrogen [(octylimino)bis(methylene)]bis(phosphonate),[K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.2K/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;/q;2*+1/p-4",C10H25NO6P2.2K,,,,,,ZQXIVPJLVQBBGA-UHFFFAOYSA-J,,,,,,,,,,,
100.094.892,304-428-1,94266-22-5,"2-(3,5-dichloro-4-methylbenzoyl)benzoic acid","2-(3,5-dichloro-4-methylbenzoyl)benzoic acid",Cc1c(Cl)cc(cc1Cl)C(=O)c2ccccc2C(=O)O,Cc1c(Cl)cc(cc1Cl)C(=O)c2ccccc2C(=O)O,"InChI=1/C15H10Cl2O3/c1-8-12(16)6-9(7-13(8)17)14(18)10-4-2-3-5-11(10)15(19)20/h2-7H,1H3,(H,19,20)",C15H10Cl2O3,,,,,,CICYUDLNBKQJQA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.901,304-438-6,94266-31-6,Lead icosanoate (1:2),lead icosanoate (1:2),[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCCCC,[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1/2C20H40O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;;;/h2*2-19H2,1H3,(H,21,22);;;/q;;+4;;/p-2/r2C20H40O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);1H2/q;;+4/p-2",C20H40O2.1/2Pb,,,,,,IMGCFEAIPPYFGB-UHFFFAOYSA-L,,,,,,,,,,,
100.080.293,288-352-3,85711-93-9,"(S)-1-(4-bromobenzoyl)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide","1-(4-bromobenzoyl)-N,N-dimethyl-5-oxo-L-prolinamide",CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccc(Br)cc2,CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)c2ccc(Br)cc2,"InChI=1/C14H15BrN2O3/c1-16(2)14(20)11-7-8-12(18)17(11)13(19)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3",C14H15BrN2O3,,,,,,QYLBEZABIATHBC-NSHDSACASA-N,,,,,,,,,,,
100.079.843,287-857-6,85586-53-4,"4,4'-[iminobis[4,1-phenylene(1-methylethylidene)]]bisphenol","4,4'-[iminobis(4,1-phenylenepropane-2,2-diyl)]diphenol",CC(C)(c1ccc(O)cc1)c2ccc(Nc3ccc(cc3)C(C)(C)c4ccc(O)cc4)cc2,CC(C)(c1ccc(O)cc1)c2ccc(Nc3ccc(cc3)C(C)(C)c4ccc(O)cc4)cc2,"InChI=1/C30H31NO2/c1-29(2,23-9-17-27(32)18-10-23)21-5-13-25(14-6-21)31-26-15-7-22(8-16-26)30(3,4)24-11-19-28(33)20-12-24/h5-20,31-33H,1-4H3",C30H31NO2,,,,,,ZCCBXDNTCAADDD-UHFFFAOYSA-N,,,,,,,,,,,
100.079.849,287-863-9,85586-59-0,3-[(4-aminocyclohexyl)methyl]-p-toluidine,3-[(4-aminocyclohexyl)methyl]-4-methylaniline,Cc1ccc(N)cc1CC2CCC(N)CC2,Cc1ccc(N)cc1CC2CCC(N)CC2,"InChI=1/C14H22N2/c1-10-2-5-14(16)9-12(10)8-11-3-6-13(15)7-4-11/h2,5,9,11,13H,3-4,6-8,15-16H2,1H3",C14H22N2,,,,,,PBSABHQUHBTWJP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.296,288-356-5,85711-97-3,"3,4,7,8,11,12-hexabromocyclododeca-1,5,9-triene","3,4,7,8,11,12-hexabromocyclododeca-1,5,9-triene",BrC1\\C=C\\C(Br)C(Br)\\C=C\\C(Br)C(Br)\\C=C\\C1Br,BrC1\C=C\C(Br)C(Br)\C=C\C(Br)C(Br)\C=C\C1Br,InChI=1/C12H12Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h1-12H,C12H12Br6,,,,,,HVIIZEINTLSKNX-OGRRCNLLSA-N,,,,,,,,,,,
100.080.300,288-360-7,85712-02-3,"1,1-bis(butoxymethyl)-3-octadecylurea","1,1-bis(butoxymethyl)-3-octadecylurea",CCCCCCCCCCCCCCCCCCNC(=O)N(COCCCC)COCCCC,CCCCCCCCCCCCCCCCCCNC(=O)N(COCCCC)COCCCC,"InChI=1/C29H60N2O3/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-29(32)31(27-33-25-8-5-2)28-34-26-9-6-3/h4-28H2,1-3H3,(H,30,32)",C29H60N2O3,,,,,,PPYKUFYYEBSDQG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.303,288-363-3,85712-05-6,"2,5-dimethylheptan-1-ol","2,5-dimethylheptan-1-ol",CCC(C)CCC(C)CO,CCC(C)CCC(C)CO,"InChI=1/C9H20O/c1-4-8(2)5-6-9(3)7-10/h8-10H,4-7H2,1-3H3",C9H20O,,,,,,ZEIZTVAKJXMCSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.305,288-365-4,85712-07-8,"Sodium 2,3,5,6-tetrachlorophenolate","sodium 2,3,5,6-tetrachlorophenolate",[Na+].[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl,[Na+].[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl,"InChI=1/C6H2Cl4O.Na/c7-2-1-3(8)5(10)6(11)4(2)9;/h1,11H;/q;+1/p-1",C6H2Cl4O.Na,,,,,,RFCUHGZZRREFFV-UHFFFAOYSA-M,,,,,,,,,,,
100.080.306,288-367-5,85712-08-9,Sodium 4-chloro-2-cyclohexylphenolate,sodium 4-chloro-2-cyclohexylphenolate,[Na+].[O-]c1ccc(Cl)cc1C2CCCCC2,[Na+].[O-]c1ccc(Cl)cc1C2CCCCC2,"InChI=1/C12H15ClO.Na/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9;/h6-9,14H,1-5H2;/q;+1/p-1",C12H15ClO.Na,,,,,,LAKBDMSMNUVYJJ-UHFFFAOYSA-M,,,,,,,,,,,
100.080.312,288-373-8,85712-14-7,Disodium DL-homocysteinate,disodium DL-homocysteinate,[Na+].[Na+].N[C@@H](CCS)C(=O)[O-].N[C@@H](CCS)C(=O)[O-],[Na+].[Na+].N[C@@H](CCS)C(=O)[O-].N[C@@H](CCS)C(=O)[O-],"InChI=1/2C4H9NO2S.2Na/c2*5-3(1-2-8)4(6)7;;/h2*3,8H,1-2,5H2,(H,6,7);;/q;;2*+1/p-2",C4H9NO2S.2Na,,,,,,LUOWHQJAZABCGD-OYIAIMIOSA-L,,,,,,,,,,,
100.080.313,288-374-3,85712-15-8,Dimethoxymethyloctylsilane,(dimethoxymethyl)(octyl)silane,CCCCCCCC[SiH2]C(OC)OC,CCCCCCCC[SiH2]C(OC)OC,"InChI=1/C11H26O2Si/c1-4-5-6-7-8-9-10-14-11(12-2)13-3/h11H,4-10,14H2,1-3H3",C11H26O2Si,,,,,,OXIFVOMBEAUWMN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.329,288-392-1,85720-85-0,"Phenyl 5,6,7,8-tetrahydro-1-hydroxy-2-naphthoate","phenyl 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate",Oc1c2CCCCc2ccc1C(=O)Oc3ccccc3,Oc1c2CCCCc2ccc1C(=O)Oc3ccccc3,"InChI=1/C17H16O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2",C17H16O3,,,,,,ILYUJAPQYVAEIX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.330,288-393-7,85720-86-1,5-[(4-amino-5-methoxy-2-tolyl)azo]salicylic acid,5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-hydroxybenzoic acid,Nc1cc(C)c(cc1OC)N=Nc2cc(C(O)=O)c(O)cc2,Nc1cc(C)c(cc1OC)N=Nc2cc(C(O)=O)c(O)cc2,"InChI=1/C15H15N3O4/c1-8-5-11(16)14(22-2)7-12(8)18-17-9-3-4-13(19)10(6-9)15(20)21/h3-7,19H,16H2,1-2H3,(H,20,21)",C15H15N3O4,,,,,,GYFIHCVUPLPXFH-UHFFFAOYSA-N,,,,,,,,,,,
100.080.332,288-395-8,85720-88-3,5-[(4-amino-2-chlorophenyl)azo]salicylic acid,5-[(4-amino-2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid,Clc2cc(N)ccc2N=Nc1cc(C(O)=O)c(O)cc1,Clc2cc(N)ccc2N=Nc1cc(C(O)=O)c(O)cc1,"InChI=1/C13H10ClN3O3/c14-10-5-7(15)1-3-11(10)17-16-8-2-4-12(18)9(6-8)13(19)20/h1-6,18H,15H2,(H,19,20)",C13H10ClN3O3,,,,,,GMBLZWHNZWDEEJ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.333,288-396-3,85720-89-4,Sodium 5-[(4-amino-2-chlorophenyl)azo]salicylate,sodium 5-[(4-amino-2-chlorophenyl)diazenyl]-2-hydroxybenzoate,[Na+].Clc2cc(N)ccc2N=Nc1cc(C([O-])=O)c(O)cc1,[Na+].Clc2cc(N)ccc2N=Nc1cc(C([O-])=O)c(O)cc1,"InChI=1/C13H10ClN3O3.Na/c14-10-5-7(15)1-3-11(10)17-16-8-2-4-12(18)9(6-8)13(19)20;/h1-6,18H,15H2,(H,19,20);/q;+1/p-1",C13H10ClN3O3.xNa,,,,,,WTENAFRMFGQORZ-UHFFFAOYSA-M,,,,,,,,,,,
100.080.337,288-401-9,85720-93-0,"Sodium 5-amino-2-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]benzoate","sodium 5-amino-2-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate",[Na+].O=C2N\\N=C(\\C)C2N=Nc1ccc(N)cc1C([O-])=O,[Na+].O=C2N\N=C(\C)C2N=Nc1ccc(N)cc1C([O-])=O,"InChI=1/C11H11N5O3.Na/c1-5-9(10(17)16-13-5)15-14-8-3-2-6(12)4-7(8)11(18)19;/h2-4,9H,12H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1",C11H11N5O3.xNa,,,,,,GMCWDMFKNUXJBP-UHFFFAOYSA-M,,,,,,,,,,,
100.097.316,307-098-7,97549-02-5,"4-[4-(acetylamino)anilino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2,6-disulphonic acid","4-[(4-acetamidophenyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid",CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccc(cc4C(=O)c23)S(=O)(=O)O)S(=O)(=O)O)cc1,CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccc(cc4C(=O)c23)S(=O)(=O)O)S(=O)(=O)O)cc1,"InChI=1/C22H17N3O9S2/c1-10(26)24-11-2-4-12(5-3-11)25-16-9-17(36(32,33)34)20(23)19-18(16)22(28)15-8-13(35(29,30)31)6-7-14(15)21(19)27/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)",C22H17N3O9S2,,,,,,MOQRDWUCKHSLCR-UHFFFAOYSA-N,,,,,,,,,,,
100.097.321,307-103-2,97552-51-7,"4-(carboxyoxy)-3-penten-2-one, magnesium salt",-,[Mg+2].O=C(C)C=C(C)OC(O)=O,[Mg+2].O=C(C)C=C(C)OC(O)=O,"InChI=1/C6H8O4.Mg/c1-4(7)3-5(2)10-6(8)9;/h3H,1-2H3,(H,8,9);/q;+2",C6H8O4.1/2Mg,,,,,,GHTHZNMGZXLUMX-UHFFFAOYSA-N,,,,,,,,,,,
100.097.327,307-110-0,97552-57-3,3-butoxy-3-oxopropyl butyrate,3-butoxy-3-oxopropyl butyrate,CCCCOC(=O)CCOC(=O)CCC,CCCCOC(=O)CCOC(=O)CCC,"InChI=1/C11H20O4/c1-3-5-8-14-11(13)7-9-15-10(12)6-4-2/h3-9H2,1-2H3",C11H20O4,,,,,,ZNEZWMOQTITMOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.329,307-112-1,97552-59-5,"Benzothiazole-2(3H)-thione, sodium salt, compound with 2-aminoethanol (1:1)",-,[Na+].NCCO.S=C1Nc2ccccc2S1,[Na+].NCCO.S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.C2H7NO.Na/c9-7-8-5-3-1-2-4-6(5)10-7;3-1-2-4;/h1-4H,(H,8,9);4H,1-3H2;/q;;+1",C7H5NS2.C2H7NO.Na,,,,,,BAPFZFPIHZFJMA-UHFFFAOYSA-N,,,,,,,,,,,
100.097.330,307-113-7,97552-60-8,"Naphth[2,1-d][1,2,3]oxadiazole-6-sulphonyl chloride","naphtho[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride",ClS(=O)(=O)c1cccc2c3onnc3ccc12,ClS(=O)(=O)c1cccc2c3onnc3ccc12,"InChI=1/C10H5ClN2O3S/c11-17(14,15)9-3-1-2-7-6(9)4-5-8-10(7)16-13-12-8/h1-5H",C10H5ClN2O3S,,,,,,PEANXEYQMOELEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.331,307-114-2,97552-61-9,"4-chlorohexa-2,4-dienoic acid","4-chlorohexa-2,4-dienoic acid",CC=C(Cl)C=CC(O)=O,CC=C(Cl)C=CC(O)=O,"InChI=1/C6H7ClO2/c1-2-5(7)3-4-6(8)9/h2-4H,1H3,(H,8,9)",C6H7ClO2,,,,,,FBHZRIIRIRXHEM-UHFFFAOYSA-N,,,,,,,,,,,
100.097.332,307-115-8,97552-62-0,"Cyclohexyl(2,2-dimethoxyethyl)ammonium chloride","N-(2,2-dimethoxyethyl)cyclohexanaminium chloride",[Cl-].COC(C[NH2+]C1CCCCC1)OC,[Cl-].COC(C[NH2+]C1CCCCC1)OC,"InChI=1/C10H21NO2.ClH/c1-12-10(13-2)8-11-9-6-4-3-5-7-9;/h9-11H,3-8H2,1-2H3;1H",C10H21NO2.ClH,,,,,,VAPIPGSCONDQCL-UHFFFAOYSA-N,,,,,,,,,,,
100.097.340,307-124-7,97552-70-0,1-methyl-4-(1-methylvinyl)cyclohexyl propionate,4-isopropenyl-1-methylcyclohexyl propionate,CCC(=O)OC1(C)CCC(CC1)C(=C)C,CCC(=O)OC1(C)CCC(CC1)C(=C)C,"InChI=1/C13H22O2/c1-5-12(14)15-13(4)8-6-11(7-9-13)10(2)3/h11H,2,5-9H2,1,3-4H3",C13H22O2,,,,,,VKAQISLIVOJGJM-UHFFFAOYSA-N,,,,,,,,,,,
100.095.545,305-146-1,94349-29-8,"N-[9,10-dihydro-9,10-dioxo-5-[(5,8,13,14-tetrahydro-5,8,14-trioxonaphth[2,3-c]acridin-10-yl)amino]-1-anthryl]benzamide","N-{9,10-dioxo-5-[(5,8,14-trioxo-5,8,13,14-tetrahydronaphtho[2,3-c]acridin-10-yl)amino]-9,10-dihydroanthracen-1-yl}benzamide",O=C(Nc1cccc2C(=O)c3c(Nc4ccc5Nc6c(ccc7C(=O)c8ccccc8C(=O)c67)C(=O)c5c4)cccc3C(=O)c12)c9ccccc9,O=C(Nc1cccc2C(=O)c3c(Nc4ccc5Nc6c(ccc7C(=O)c8ccccc8C(=O)c67)C(=O)c5c4)cccc3C(=O)c12)c9ccccc9,"InChI=1/C42H23N3O6/c46-37-23-10-4-5-11-24(23)39(48)35-27(37)17-18-28-36(35)44-30-19-16-22(20-29(30)38(28)47)43-31-14-6-12-25-33(31)40(49)26-13-7-15-32(34(26)41(25)50)45-42(51)21-8-2-1-3-9-21/h1-20,43H,(H,44,47)(H,45,51)",C42H23N3O6,,,,,,JBIQRXVFEUVPMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.098.441,308-337-8,97952-45-9,7-[(2-cyanoethyl)ethylamino]-3-(ethylmethylamino)-2-methylphenoxazin-5-ium formate,7-[(2-cyanoethyl)(ethyl)amino]-3-[ethyl(methyl)amino]-2-methylphenoxazin-5-ium formate,CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N.[O-]C=O,CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N.[O-]C=O,"InChI=1/C21H25N4O.CH2O2/c1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;2-1-3/h8-9,12-14H,5-7,11H2,1-4H3;1H,(H,2,3)/q+1;/p-1",C21H25N4O.CHO2,,,,,,ACJLWHXJMCBSPX-UHFFFAOYSA-M,,,,,,,,,,,
100.097.352,307-137-8,97552-85-7,Bis[bis(2-hydroxyethyl)ammonium] nitroglutarate,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] 2-nitropentanedioate,OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCC(C(=O)[O-])[N+](=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCC(C(=O)[O-])[N+](=O)[O-],"InChI=1/C5H7NO6.2C4H11NO2/c7-4(8)2-1-3(5(9)10)6(11)12;2*6-3-1-5-2-4-7/h3H,1-2H2,(H,7,8)(H,9,10);2*5-7H,1-4H2",C5H7NO6.2C4H11NO2,,,,,,PMYXFYGVJZFOJE-UHFFFAOYSA-N,,,,,,,,,,,
100.095.558,305-160-8,94349-43-6,[(3-ammonio-4-hydroxyphenyl)methyl]ammonium sulphate,5-(ammoniomethyl)-2-hydroxyanilinium sulfate,[NH3+]Cc1ccc(O)c([NH3+])c1.[O-]S(=O)(=O)[O-],[NH3+]Cc1ccc(O)c([NH3+])c1.[O-]S(=O)(=O)[O-],"InChI=1/C7H10N2O.H2O4S/c8-4-5-1-2-7(10)6(9)3-5;1-5(2,3)4/h1-3,10H,4,8-9H2;(H2,1,2,3,4)",C7H10N2O.H2O4S,,,,,,FYGIYZMEKMHYIU-UHFFFAOYSA-N,,,,,,,,,,,
100.095.559,305-161-3,94349-44-7,"2,4-dimethyl-2-[1-methyl-2-(2,6,6-trimethyl-2-cyclohexen-1-yl)vinyl]-1,3-dioxolane","2,4-dimethyl-2-[1-methyl-2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]-1,3-dioxolane",CC1COC(C)(O1)\\C(=C\\C2C(=CCCC2(C)C)C)\\C,CC1COC(C)(O1)\C(=C\C2C(=CCCC2(C)C)C)\C,"InChI=1/C17H28O2/c1-12-8-7-9-16(4,5)15(12)10-13(2)17(6)18-11-14(3)19-17/h8,10,14-15H,7,9,11H2,1-6H3",C17H28O2,,,,,,OLJZZCKBGUFAEV-JLHYYAGUSA-N,,,,,,,,,,,
100.098.552,308-460-7,98072-11-8,"Octadecenoic acid, compound with 2,2'-(octadec-9-enylimino)diethanol (1:1)","octadec-2-enoic acid - 2,2'-(octadec-9-en-1-ylimino)diethanol (1:1)",OCCN(CCCCCCCCC=CCCCCCCCC)CCO.CCCCCCCCCCCCCCCC=CC(O)=O,OCCN(CCCCCCCCC=CCCCCCCCC)CCO.CCCCCCCCCCCCCCCC=CC(O)=O,"InChI=1/C22H45NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,24-25H,2-8,11-22H2,1H3;16-17H,2-15H2,1H3,(H,19,20)",C22H45NO2.C18H34O2,,,,,,CUZODBVKBYQDFC-UHFFFAOYSA-N,,,,,,,,,,,
100.098.555,308-463-3,98072-14-1,[2-(4-methylcyclohex-3-en-1-yl)propyl]phosphonic acid,[2-(4-methylcyclohex-3-en-1-yl)propyl]phosphonic acid,CC(CP(=O)(O)O)C1CCC(=CC1)C,CC(CP(=O)(O)O)C1CCC(=CC1)C,"InChI=1/C10H19O3P/c1-8-3-5-10(6-4-8)9(2)7-14(11,12)13/h3,9-10H,4-7H2,1-2H3,(H2,11,12,13)",C10H19O3P,,,,,,QBOXAKWKMIZAPC-UHFFFAOYSA-N,,,,,,,,,,,
100.098.564,308-473-8,98072-23-2,"L-arginine mono[4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-a-methylbenzeneacetate]","2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid - L-arginine (1:1)",CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O.N[C@@H](CCCNC(=N)N)C(=O)O,CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C17H15NO3.C6H14N4O2/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19;7-4(5(11)12)2-1-3-10-6(8)9/h2-9,11H,10H2,1H3,(H,20,21);4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C17H15NO3.C6H14N4O2,,,,,,YFPJISRTMKXOTD-VWMHFEHESA-N,,,,,,,,,,,
100.098.566,308-475-9,98072-25-4,Bis[bis(2-hydroxyethyl)ammonium] sulphite,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] sulfite,OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]S(=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]S(=O)[O-],"InChI=1/2C4H11NO2.H2O3S/c2*6-3-1-5-2-4-7;1-4(2)3/h2*5-7H,1-4H2;(H2,1,2,3)",C4H11NO2.1/2H2O3S,,,,,,XMAXOLKEZRLIOL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.687,305-302-9,94406-06-1,"3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, compound with 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol","1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione - 2-(3,4-dihydroxyphenyl)chromane-3,4,5,7-tetrol (1:1)",CN1C(=O)N(C)c2ncn(C)c2C1=O.OC3C(O)c4c(O)cc(O)cc4OC3c5ccc(O)c(O)c5,CN1C(=O)N(C)c2ncn(C)c2C1=O.OC3C(O)c4c(O)cc(O)cc4OC3c5ccc(O)c(O)c5,"InChI=1/C15H14O7.C8H10N4O2/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h1-5,13-21H;4H,1-3H3",C15H14O7.xC8H10N4O2,,,,,,OGUZKYNNZWHJGS-UHFFFAOYSA-N,,,,,,,,,,,
100.095.693,305-309-7,94424-70-1,"3,7,11,15-tetramethyl-2-hexadecenyl (9Z,12Z)-octadeca-9,12-dienoate","3,7,11,15-tetramethylhexadec-2-en-1-yl octadeca-9,12-dienoate",CC(C)CCCC(C)CCCC(C)CCCC(C)=CCOC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC,CC(C)CCCC(C)CCCC(C)CCCC(C)=CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC,"InChI=1/C38H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38(39)40-33-32-37(6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h11-12,14-15,32,34-36H,7-10,13,16-31,33H2,1-6H3",C38H70O2,,,,,,AZVBWBSWMFXNTB-FPYNWASBSA-N,,,,,,,,,,,
100.095.695,305-311-8,94425-51-1,"9,11a-epoxy-17-hydroxypregn-4-ene-3,20-dione 17-acetate","3,20-dioxo-9,11-epoxypregn-4-en-17-yl acetate",CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]35O[C@@H]5C[C@]12C)C(=O)C,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]35O[C@@H]5C[C@]12C)C(=O)C,"InChI=1/C23H30O5/c1-13(24)22(27-14(2)25)10-8-17-18-6-5-15-11-16(26)7-9-20(15,3)23(18)19(28-23)12-21(17,22)4/h11,17-19H,5-10,12H2,1-4H3",C23H30O5,,,,,,UHRIXJLDCNOZKI-WBIUVFFSSA-N,,,,,,,,,,,
100.095.700,305-317-0,94441-91-5,"Benzene-1,4-diamine (4-methylbenzenesulphonate)","benzene-1,4-diamine 4-methylbenzenesulfonate",Cc1ccc(cc1)S(=O)(=O)O.Nc2ccc(N)cc2,Cc1ccc(cc1)S(=O)(=O)O.Nc2ccc(N)cc2,"InChI=1/C7H8O3S.C6H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-1-2-6(8)4-3-5/h2-5H,1H3,(H,8,9,10);1-4H,7-8H2",C7H8O3S.C6H8N2,,,,,,IZTQDNPOJDAVTP-UHFFFAOYSA-N,,,,,,,,,,,
100.095.705,305-322-8,94441-97-1,"1,2,4,5-tetrabromo-3,6-bis[(pentabromophenoxy)methyl]benzene","1,1'-[(2,3,5,6-tetrabromo-1,4-phenylene)bis(methyleneoxy)]bis(pentabromobenzene)",Brc1c(Br)c(Br)c(OCc2c(Br)c(Br)c(COc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(OCc2c(Br)c(Br)c(COc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br,InChI=1/C20H4Br14O2/c21-5-3(1-35-19-15(31)11(27)9(25)12(28)16(19)32)6(22)8(24)4(7(5)23)2-36-20-17(33)13(29)10(26)14(30)18(20)34/h1-2H2,C20H4Br14O2,,,,,,COCIGRUDDLZNTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.712,305-330-1,94442-04-3,Disodium 4-[5-amino-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonate,disodium 4-{5-amino-4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-1H-pyrazol-1-yl}benzenesulfonate,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=Nc2c(C)nn(c1ccc(cc1)S([O-])(=O)=O)c2N)c(OC)cc3,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=Nc2c(C)nn(c1ccc(cc1)S([O-])(=O)=O)c2N)c(OC)cc3,"InChI=1/C19H21N5O10S3.2Na/c1-12-18(19(20)24(23-12)13-3-5-14(6-4-13)36(27,28)29)22-21-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32;;/h3-8,11H,9-10,20H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C19H21N5O10S3.2Na,,,,,,MNABGPUTAQMCFX-UHFFFAOYSA-L,,,,,,,,,,,
100.095.715,305-333-8,94442-08-7,3-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate,3-{[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amino}-2-hydroxypropyl 2-methyl-2-nonylundecanoate,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNCCNCCNCCN,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNCCNCCNCCN,"InChI=1/C30H64N4O3/c1-4-6-8-10-12-14-16-18-30(3,19-17-15-13-11-9-7-5-2)29(36)37-27-28(35)26-34-25-24-33-23-22-32-21-20-31/h28,32-35H,4-27,31H2,1-3H3",C30H64N4O3,,,,,,DANIXADHBKGCBH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.902,304-439-1,94266-32-7,Lead icosanoate,lead(4+) tetraicosanoate,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCCCCCC,"InChI=1/C20H40O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;;;/h2-19H2,1H3,(H,21,22);;;/q;+4;;/rC20H40O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);1H2/q;+4",C20H40O2.xPb,,,,,,OEPTXTAZAJKXFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.906,304-443-3,94266-36-1,Ammonium heptadecanoate,ammonium heptadecanoate,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/7C10H20O2.7H3N/c7*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;/h7*2-9H2,1H3,(H,11,12);7*1H3",C17H34O2.H3N,,,,,,BTFYVDYVNFAKFU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.918,304-456-4,94266-49-6,"L-arginine mono[(S)-4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-a-methylbenzeneacetate]","2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid - L-arginine (1:1)",C[C@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O.N[C@@H](CCCNC(=N)N)C(=O)O,C[C@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C17H15NO3.C6H14N4O2/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19;7-4(5(11)12)2-1-3-10-6(8)9/h2-9,11H,10H2,1H3,(H,20,21);4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C17H15NO3.C6H14N4O2,,,,,,YFPJISRTMKXOTD-VXWROMGTSA-N,,,,,,,,,,,
100.096.632,306-346-1,97158-17-3,Calcium hexabromosilicate(2-),calcium hexabromosilicate(2-),[Ca+2].Br[Si-2](Br)(Br)(Br)(Br)Br,[Ca+2].Br[Si-2](Br)(Br)(Br)(Br)Br,"InChI=1/Br6Si.Ca/c1-7(2,3,4,5)6;/q-2;+2",Br6Si.Ca,,,,,,NXECMOZIKJGHJS-UHFFFAOYSA-N,,,,,,,,,,,
100.096.634,306-348-2,97158-19-5,Europium(2+) hexabromosilicate(2-),europium(2+) hexabromosilicate(2-),[Eu+2].Br[Si-2](Br)(Br)(Br)(Br)Br,[Eu+2].Br[Si-2](Br)(Br)(Br)(Br)Br,"InChI=1/Br6Si.Eu/c1-7(2,3,4,5)6;/q-2;+2",Br6Si.Eu,,,,,,QOBFUSMQNGFBHH-UHFFFAOYSA-N,,,,,,,,,,,
100.096.635,306-349-8,97158-20-8,Europium(2+) hexachlorosilicate(2-),europium(2+) hexachlorosilicate(2-),[Eu+2].Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl,[Eu+2].Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/Cl6Si.Eu/c1-7(2,3,4,5)6;/q-2;+2",Cl6Si.Eu,,,,,,JGSPXAZDALVDDT-UHFFFAOYSA-N,,,,,,,,,,,
100.096.643,306-358-7,97158-28-6,"(1a,2a,4a)-2-methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-one","2-methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanone",C[C@@H]1CCCC(C2CC3CCC2(C)C3(C)C)C1=O,C[C@@H]1CCCC(C2CC3CCC2(C)C3(C)C)C1=O,"InChI=1/C17H28O/c1-11-6-5-7-13(15(11)18)14-10-12-8-9-17(14,4)16(12,2)3/h11-14H,5-10H2,1-4H3",C17H28O,,,,,,SJPSHLFVALNUHY-SFCYXTAJSA-N,,,,,,,,,,,
100.096.646,306-361-3,97158-31-1,Dimethylbis[2-[(1-oxohexadecyl)oxy]ethyl]ammonium chloride,"N,N-dimethyl-2-(palmitoyloxy)-N-[2-(palmitoyloxy)ethyl]ethanaminium chloride",[Cl-].CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC,"InChI=1/C38H76NO4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(40)42-35-33-39(3,4)34-36-43-38(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-36H2,1-4H3;1H/q+1;/p-1",C38H76NO4.Cl,,,,,,VHIZYFAEPDWBFM-UHFFFAOYSA-M,,,,,,,,,,,
100.096.652,306-368-1,97158-37-7,"3-[4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid","3-{5-oxo-3-[4-(stearoylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C2=NN(C(=O)C2)c3cccc(c3)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C2=NN(C(=O)C2)c3cccc(c3)S(=O)(=O)O,"InChI=1/C33H47N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32(37)34-28-23-21-27(22-24-28)31-26-33(38)36(35-31)29-18-17-19-30(25-29)42(39,40)41/h17-19,21-25H,2-16,20,26H2,1H3,(H,34,37)(H,39,40,41)",C33H47N3O5S,,,,,,COCBSNGTVHMNDB-UHFFFAOYSA-N,,,,,,,,,,,
100.096.658,306-374-4,97158-45-7,"3-[[4-[(4-chlorophenyl)sulphonyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]oxy]propyl(dimethyl)ammonium methanesulphonate","3-({4-[(4-chlorophenyl)sulfonyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}oxy)-N,N-dimethylpropan-1-aminium methanesulfonate",C[NH+](C)CCCOC1=NN(CC1S(=O)(=O)c2ccc(Cl)cc2)c3ccccc3.CS(=O)(=O)[O-],C[NH+](C)CCCOC1=NN(CC1S(=O)(=O)c2ccc(Cl)cc2)c3ccccc3.CS(=O)(=O)[O-],"InChI=1/C20H24ClN3O3S.CH4O3S/c1-23(2)13-6-14-27-20-19(15-24(22-20)17-7-4-3-5-8-17)28(25,26)18-11-9-16(21)10-12-18;1-5(2,3)4/h3-5,7-12,19H,6,13-15H2,1-2H3;1H3,(H,2,3,4)",C20H24ClN3O3S.CH4O3S,,,,,,WORIVDLKTGNAQV-UHFFFAOYSA-N,,,,,,,,,,,
100.096.661,306-378-6,97158-48-0,"Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate","sodium 3-{2-[2-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-1-yl]ethoxy}propanoate",[Na+].CC(C)CCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-],[Na+].CC(C)CCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-],"InChI=1/C25H48N2O3.Na/c1-23(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-26-18-19-27(24)20-22-30-21-17-25(28)29;/h23H,3-22H2,1-2H3,(H,28,29);/q;+1/p-1",C25H48N2O3.Na,,,,,,FSCRJUUIABKBCD-UHFFFAOYSA-M,,,,,,,,,,,
100.096.663,306-380-7,97158-50-4,"Benzothiazole-2(3H)-thione, sodium salt, compound with 2,2',2''-nitrilotris[ethanol]",-,[Na+].OCCN(CCO)CCO.S=C1Nc2ccccc2S1,[Na+].OCCN(CCO)CCO.S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.C6H15NO3.Na/c9-7-8-5-3-1-2-4-6(5)10-7;8-4-1-7(2-5-9)3-6-10;/h1-4H,(H,8,9);8-10H,1-6H2;/q;;+1",C7H5NS2.xC6H15NO3.Na,,,,,,YWJPYBZSWGNQMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.664,306-381-2,97158-51-5,2-(3-ethylidene-7-methyloct-6-enyl)pyridine,2-(3-ethylidene-7-methyloct-6-en-1-yl)pyridine,C/C(C)=C\\CCC(CCc1ccccn1)=CC,C/C(C)=C\CCC(CCc1ccccn1)=CC,"InChI=1/C16H23N/c1-4-15(9-7-8-14(2)3)11-12-16-10-5-6-13-17-16/h4-6,8,10,13H,7,9,11-12H2,1-3H3",C16H23N,,,,,,NOJMLDMONYOFDF-UHFFFAOYSA-N,,,,,,,,,,,
100.079.850,287-864-4,85586-60-3,3-[(4-aminocyclohexyl)methyl]-o-toluidine,3-[(4-aminocyclohexyl)methyl]-2-methylaniline,Cc1c(N)cccc1CC2CCC(N)CC2,Cc1c(N)cccc1CC2CCC(N)CC2,"InChI=1/C14H22N2/c1-10-12(3-2-4-14(10)16)9-11-5-7-13(15)8-6-11/h2-4,11,13H,5-9,15-16H2,1H3",C14H22N2,,,,,,MBERKBLRAGDOFR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.852,287-867-0,85586-62-5,"5-[(2-aminophenyl)methyl]-4-methylbenzene-1,3-diamine","5-(2-aminobenzyl)-4-methylbenzene-1,3-diamine",Cc1c(N)cc(N)cc1Cc2ccccc2N,Cc1c(N)cc(N)cc1Cc2ccccc2N,"InChI=1/C14H17N3/c1-9-11(7-12(15)8-14(9)17)6-10-4-2-3-5-13(10)16/h2-5,7-8H,6,15-17H2,1H3",C14H17N3,,,,,,VYKBWUGQNGMJKN-UHFFFAOYSA-N,,,,,,,,,,,
100.079.854,287-869-1,85586-64-7,"5-[(4-aminophenyl)methyl]-4-methylbenzene-1,3-diamine","5-(4-aminobenzyl)-4-methylbenzene-1,3-diamine",Cc1c(N)cc(N)cc1Cc2ccc(N)cc2,Cc1c(N)cc(N)cc1Cc2ccc(N)cc2,"InChI=1/C14H17N3/c1-9-11(7-13(16)8-14(9)17)6-10-2-4-12(15)5-3-10/h2-5,7-8H,6,15-17H2,1H3",C14H17N3,,,,,,JSBKXGRKPLOAKP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.855,287-870-7,85586-65-8,"13-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-3,6,9,12,14,17,20,23-octaoxa-13-borapentacosane-1,25-diol",tris(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl) borate,OCCOCCOCCOCCOB(OCCOCCOCCOCCO)OCCOCCOCCOCCO,OCCOCCOCCOCCOB(OCCOCCOCCOCCO)OCCOCCOCCOCCO,"InChI=1/C24H51BO15/c26-1-4-29-7-10-32-13-16-35-19-22-38-25(39-23-20-36-17-14-33-11-8-30-5-2-27)40-24-21-37-18-15-34-12-9-31-6-3-28/h26-28H,1-24H2",C24H51BO15,,,,,,IVGSDRZOVZCWLB-UHFFFAOYSA-N,,,,,,,,,,,
100.081.378,289-548-1,89923-58-0,Bis[6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triazen-1-yl]benzothiazolium] sulphate,"bis{6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triaz-1-en-1-yl]-1,3-benzothiazol-3-ium} sulfate",[O-]S([O-])(=O)=O.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(OC)ccc2[n+]3C.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]S([O-])(=O)=O.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(OC)ccc2[n+]3C.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/2C16H16N5O3S.H2O4S/c2*1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;1-5(2,3)4/h2*4-10H,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",C16H16N5O3S.1/2O4S,,,,,,OPWUSWFYSMOOAW-UHFFFAOYSA-L,,,,,,,,,,,
100.083.177,291-529-8,90427-30-8,"4,4'-[1,3,4-oxadiazole-2,5-diylbis[(2-methyl-4,1-phenylene)azo]]bis[3-hydroxy-N-methylnaphthalene-2-carboxamide]","4,4'-{1,3,4-oxadiazole-2,5-diylbis[(2-methyl-4,1-phenylene)diazene-2,1-diyl]}bis(3-hydroxy-N-methyl-2-naphthamide)",CNC(=O)c7cc1ccccc1c(N=Nc2ccc(cc2C)c3nnc(o3)c6cc(C)c(N=Nc4c5ccccc5cc(C(=O)NC)c4O)cc6)c7O,CNC(=O)c7cc1ccccc1c(N=Nc2ccc(cc2C)c3nnc(o3)c6cc(C)c(N=Nc4c5ccccc5cc(C(=O)NC)c4O)cc6)c7O,"InChI=1/C40H32N8O5/c1-21-17-25(13-15-31(21)43-45-33-27-11-7-5-9-23(27)19-29(35(33)49)37(51)41-3)39-47-48-40(53-39)26-14-16-32(22(2)18-26)44-46-34-28-12-8-6-10-24(28)20-30(36(34)50)38(52)42-4/h5-20,49-50H,1-4H3,(H,41,51)(H,42,52)",C40H32N8O5,,,,,,RTDXBZFPLUGVNA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.343,288-408-7,85720-99-6,"3-(3,4-dichlorophenyl)indan-1-ol","3-(3,4-dichlorophenyl)indan-1-ol",OC1CC(c2ccc(Cl)c(Cl)c2)c3ccccc13,OC1CC(c2ccc(Cl)c(Cl)c2)c3ccccc13,"InChI=1/C15H12Cl2O/c16-13-6-5-9(7-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12,15,18H,8H2",C15H12Cl2O,,,,,,JAIFCNUSJBEKTO-UHFFFAOYSA-N,,,,,,,,,,,
100.080.344,288-409-2,85721-00-2,"3-(3,4-dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride","3-(3,4-dichlorophenyl)-N-methylindan-1-amine hydrochloride",Cl.CNC1CC(c2ccc(Cl)c(Cl)c2)c3ccccc13,Cl.CNC1CC(c2ccc(Cl)c(Cl)c2)c3ccccc13,"InChI=1/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H",C16H15Cl2N.ClH,,,,,,QICQDZXGZOVTEF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.345,288-410-8,85721-01-3,3-(4-fluorophenyl)indan-1-ol,3-(4-fluorophenyl)indan-1-ol,OC1CC(c2ccc(F)cc2)c3ccccc13,OC1CC(c2ccc(F)cc2)c3ccccc13,"InChI=1/C15H13FO/c16-11-7-5-10(6-8-11)14-9-15(17)13-4-2-1-3-12(13)14/h1-8,14-15,17H,9H2",C15H13FO,,,,,,UGJGBFDLCVVAQK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.346,288-411-3,85721-02-4,4'-fluoro-2-mercapto-5-(trifluoromethyl)benzophenone,(4-fluorophenyl)[2-sulfanyl-5-(trifluoromethyl)phenyl]methanone,Fc1ccc(cc1)C(=O)c2cc(ccc2S)C(F)(F)F,Fc1ccc(cc1)C(=O)c2cc(ccc2S)C(F)(F)F,"InChI=1/C14H8F4OS/c15-10-4-1-8(2-5-10)13(19)11-7-9(14(16,17)18)3-6-12(11)20/h1-7,20H",C14H8F4OS,,,,,,BGLUEAAVFASDSK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.350,288-416-0,85721-06-8,(Z)-2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethyl oleate,2-(4-{3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethyl octadec-9-enoate,CCCCCCCC\\C=C/CCCCCCCC(=O)OCCN1CCN(CC\\C=C/2\\c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,CCCCCCCC\C=C/CCCCCCCC(=O)OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C41H57F3N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-40(47)48-32-31-46-29-27-45(28-30-46)26-19-21-35-36-20-17-18-22-38(36)49-39-25-24-34(33-37(35)39)41(42,43)44/h9-10,17-18,20-22,24-25,33H,2-8,11-16,19,23,26-32H2,1H3",C41H57F3N2O2S,,,,,,BUTJICYIIWGDPL-DNRMARSOSA-N,,,,,,,,,,,
100.095.564,305-167-6,94349-49-2,"Disodium hydrogen 4-[[4-chloro-6-[(8-hydroxy-3,6-disulphonato-1-naphthyl)amino]-1,3,5-triazin-2-yl]amino]benzoate","disodium hydrogen 4-({4-chloro-6-[(8-hydroxy-3,6-disulfonato-1-naphthyl)amino]-1,3,5-triazin-2-yl}amino)benzoate",[Na+].[Na+].Oc1cc(cc2cc(cc(Nc3nc(Cl)nc(Nc4ccc(cc4)C(=O)[O-])n3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cc(cc(Nc3nc(Cl)nc(Nc4ccc(cc4)C(=O)[O-])n3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H14ClN5O9S2.2Na/c21-18-24-19(22-11-3-1-9(2-4-11)17(28)29)26-20(25-18)23-14-7-12(36(30,31)32)5-10-6-13(37(33,34)35)8-15(27)16(10)14;;/h1-8,27H,(H,28,29)(H,30,31,32)(H,33,34,35)(H2,22,23,24,25,26);;/q;2*+1/p-3",C20H14ClN5O9S2.2Na,,,,,,OPOZUTFWOOGCIY-UHFFFAOYSA-K,,,,,,,,,,,
100.098.910,308-861-7,98690-28-9,"1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis[2-amino-1,5-dihydro-4H-imidazol-4-one]","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis(2-amino-1,5-dihydro-4H-imidazol-4-one)",NC1=NC(=O)CN1CCNCCNCCNCCN2CC(=O)N=C2N,NC1=NC(=O)CN1CCNCCNCCNCCN2CC(=O)N=C2N,"InChI=1/C14H27N9O2/c15-13-20-11(24)9-22(13)7-5-18-3-1-17-2-4-19-6-8-23-10-12(25)21-14(23)16/h17-19H,1-10H2,(H2,15,20,24)(H2,16,21,25)",C14H27N9O2,,,,,,UYAQFOXKLUQFHU-UHFFFAOYSA-N,,,,,,,,,,,
100.097.145,306-910-7,97465-55-9,"N,N'-bis(dimethylphenyl)guanidine monohydrochloride","1,3-bis(2,3-dimethylphenyl)guanidine hydrochloride",Cl.Cc1cccc(NC(=N)Nc2cccc(C)c2C)c1C,Cl.Cc1cccc(NC(=N)Nc2cccc(C)c2C)c1C,"InChI=1/C17H21N3.ClH/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4;/h5-10H,1-4H3,(H3,18,19,20);1H",C17H21N3.ClH,,,,,,RYQYLNYFIABLGA-UHFFFAOYSA-N,,,,,,,,,,,
100.098.940,308-894-7,98978-62-2,Calcium ditricosanoate,calcium ditricosanoate,[Ca+2].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C23H46O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2*2-22H2,1H3,(H,24,25);/q;;+2/p-2",C23H46O2.1/2Ca,,,,,,VUNDOVHLQMWIBF-UHFFFAOYSA-L,,,,,,,,,,,
100.098.941,308-895-2,98978-63-3,"Myristic acid, iron salt",-,[Fe].OC(=O)CCCCCCCCCCCCC,[Fe].OC(=O)CCCCCCCCCCCCC,"InChI=1/C14H28O2.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+2",C14H28O2.xFe,,,,,,MZHOHNDQQDJRNC-UHFFFAOYSA-N,,,,,,,,,,,
100.098.942,308-896-8,98978-64-4,Barium dihexacosanoate,barium dihexacosanoate,[Ba+2].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C26H52O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2*2-25H2,1H3,(H,27,28);/q;;+2/p-2",C26H52O2.1/2Ba,,,,,,XBOIQDRVJFRECB-UHFFFAOYSA-L,,,,,,,,,,,
100.098.943,308-897-3,98978-65-5,Calcium dihexacosanoate,calcium dihexacosanoate,[Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C26H52O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2*2-25H2,1H3,(H,27,28);/q;;+2/p-2",C26H52O2.1/2Ca,,,,,,AHPNOQDCACLNOD-UHFFFAOYSA-L,,,,,,,,,,,
100.095.378,304-963-0,94313-65-2,"2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3,6-dioxocyclohexa-1,4-dien-1-yl]hexanamide","2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-{[(4-cyanophenyl)carbamoyl]amino}-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide",CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)NC2=CC(=O)C(=CC2=O)NC(=O)Nc3ccc(cc3)C#N,CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)NC2=CC(=O)C(=CC2=O)NC(=O)Nc3ccc(cc3)C#N,"InChI=1/C36H44N4O5/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)39-27-20-30(42)28(21-29(27)41)40-34(44)38-25-16-13-23(22-37)14-17-25/h13-21,32H,8-12H2,1-7H3,(H,39,43)(H2,38,40,44)",C36H44N4O5,,,,,,LQSMXDMVIXNJEY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.388,304-974-0,94313-75-4,"3-(4-chlorophenoxy)-2-methoxy-N,N-dimethyl-4-nitroaniline","3-(4-chlorophenoxy)-2-methoxy-N,N-dimethyl-4-nitroaniline",COc1c(Oc2ccc(Cl)cc2)c(ccc1N(C)C)[N+](=O)[O-],COc1c(Oc2ccc(Cl)cc2)c(ccc1N(C)C)[N+](=O)[O-],"InChI=1/C15H15ClN2O4/c1-17(2)12-8-9-13(18(19)20)15(14(12)21-3)22-11-6-4-10(16)5-7-11/h4-9H,1-3H3",C15H15ClN2O4,,,,,,SAXSJUKXNJYCBO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.389,304-975-6,94313-76-5,"2-[(2-butoxyethyl)amino]-1,4-dihydroxyanthraquinone","2-[(2-butoxyethyl)amino]-1,4-dihydroxy-9,10-anthraquinone",CCCCOCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,CCCCOCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C20H21NO5/c1-2-3-9-26-10-8-21-14-11-15(22)16-17(20(14)25)19(24)13-7-5-4-6-12(13)18(16)23/h4-7,11,21-22,25H,2-3,8-10H2,1H3",C20H21NO5,,,,,,RWOKTCVFQFPYSE-UHFFFAOYSA-N,,,,,,,,,,,
100.095.393,304-979-8,94313-80-1,"2-[(2-ethoxyethyl)amino]-1,4-dihydroxyanthraquinone","2-[(2-ethoxyethyl)amino]-1,4-dihydroxy-9,10-anthraquinone",CCOCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,CCOCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C18H17NO5/c1-2-24-8-7-19-12-9-13(20)14-15(18(12)23)17(22)11-6-4-3-5-10(11)16(14)21/h3-6,9,19-20,23H,2,7-8H2,1H3",C18H17NO5,,,,,,OODGLDFRSOEBDW-UHFFFAOYSA-N,,,,,,,,,,,
100.097.153,306-919-6,97467-70-4,"2,2,5,5-tetramethyl-a-[(2-methylphenoxy)methyl]pyrrolidine-1-ethanol hydrochloride","1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol hydrochloride",Cl.Cc1ccccc1OCC(O)CN2C(C)(C)CCC2(C)C,Cl.Cc1ccccc1OCC(O)CN2C(C)(C)CCC2(C)C,"InChI=1/C18H29NO2.ClH/c1-14-8-6-7-9-16(14)21-13-15(20)12-19-17(2,3)10-11-18(19,4)5;/h6-9,15,20H,10-13H2,1-5H3;1H",C18H29NO2.ClH,,,,,,AGPGNIVJVGCHFO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.721,305-340-6,94442-14-5,"Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate","methyl 2-ethoxy-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate",CCOc1ncc2C(=O)C(=CN(CC)c2n1)C(=O)OC,CCOc1ncc2C(=O)C(=CN(CC)c2n1)C(=O)OC,"InChI=1/C13H15N3O4/c1-4-16-7-9(12(18)19-3)10(17)8-6-14-13(20-5-2)15-11(8)16/h6-7H,4-5H2,1-3H3",C13H15N3O4,,,,,,VHRBIIJTOIRWRO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.724,305-343-2,94442-17-8,4-(2-methylbutyl)phenyl (S)-4-propylbenzoate,4-(2-methylbutyl)phenyl 4-propylbenzoate,CCCc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2,CCCc1ccc(cc1)C(=O)Oc2ccc(C[C@@H](C)CC)cc2,"InChI=1/C21H26O2/c1-4-6-17-7-11-19(12-8-17)21(22)23-20-13-9-18(10-14-20)15-16(3)5-2/h7-14,16H,4-6,15H2,1-3H3",C21H26O2,,,,,,ZBKMFXVASLCFKC-INIZCTEOSA-N,,,,,,,,,,,
100.095.729,305-349-5,94465-65-3,"2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine monohydrochloride","2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine hydrochloride",Cl.CCN(CC)CC(Cl)CN(CC)CC,Cl.CCN(CC)CC(Cl)CN(CC)CC,"InChI=1/C11H25ClN2.ClH/c1-5-13(6-2)9-11(12)10-14(7-3)8-4;/h11H,5-10H2,1-4H3;1H",C11H25ClN2.ClH,,,,,,NCSOKUUVWFBNOC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.748,305-369-4,94481-40-0,"a,e-diamino-2,4-dinitrobenzenehexanoic acid monohydrochloride","6-(2,4-dinitrophenyl)lysine hydrochloride",Cl.NC(CCCC(N)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,Cl.NC(CCCC(N)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1/C12H16N4O6.ClH/c13-9(2-1-3-10(14)12(17)18)8-5-4-7(15(19)20)6-11(8)16(21)22;/h4-6,9-10H,1-3,13-14H2,(H,17,18);1H",C12H16N4O6.ClH,,,,,,VWUJKKUYDZOKRG-UHFFFAOYSA-N,,,,,,,,,,,
100.099.021,308-983-0,99573-81-6,"1-(allyloxy)-3-(octadeca-8,11-dienyloxy)propan-2-ol","1-(allyloxy)-3-(octadeca-8,11-dien-1-yloxy)propan-2-ol",OC(COCC=C)COCCCCCCCC=CCC=CCCCCCC,OC(COCC=C)COCCCCCCCC=CCC=CCCCCCC,"InChI=1/C24H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-23-24(25)22-26-20-4-2/h4,9-10,12-13,24-25H,2-3,5-8,11,14-23H2,1H3",C24H44O3,,,,,,MGJBAWDTOVCMPW-UHFFFAOYSA-N,,,,,,,,,,,
100.099.023,308-985-1,99573-83-8,"Ruthenium dichloride hydroxide, ammoniate",-,N.[OH-].[Cl-].[Cl-].[Ru+2],N.[OH-].[Cl-].[Cl-].[Ru+2],InChI=1/2ClH.H3N.H2O.Ru/h2*1H;1H3;1H2;/q;;;;+2/p-3,Cl2HORu.xH3N,,,,,,LLQBEFMMIVBEAR-UHFFFAOYSA-K,,,,,,,,,,,
100.099.030,308-993-5,99670-20-9,"1-[[(1-oxohexadecyl)oxy]methyl]ethylene 2,3-bis(acetoxy)succinate","2,3-diacetoxy-4-{2-[(2,3-diacetoxy-3-carboxypropanoyl)oxy]-1-[(palmitoyloxy)methyl]ethoxy}-4-oxobutanoate",O=C(OCC(OC(=O)C(OC(C)=O)C(OC(C)=O)C([O-])=O)COC(=O)CCCCCCCCCCCCCCC)C(OC(C)=O)C(OC(C)=O)C(O)=O,O=C(OCC(OC(=O)C(OC(C)=O)C(OC(C)=O)C([O-])=O)COC(=O)CCCCCCCCCCCCCCC)C(OC(C)=O)C(OC(C)=O)C(O)=O,"InChI=1/C35H54O18/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(40)47-20-26(53-35(46)31(52-25(5)39)29(33(43)44)50-23(3)37)21-48-34(45)30(51-24(4)38)28(32(41)42)49-22(2)36/h26,28-31H,6-21H2,1-5H3,(H,41,42)(H,43,44)/p-1",C35H54O18,,,,,,HYLBQTBNIARGCY-UHFFFAOYSA-M,,,,,,,,,,,
100.099.034,308-997-7,99670-24-3,"1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate, compound with morpholine (1:1)","16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl dihydrogen phosphate - morpholine (1:1)",OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1.C2COCCN2,OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1.C2COCCN2,"InChI=1/C17H29O9P.C4H9NO/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17;1-3-6-4-2-5-1/h1-5H,6-16H2,(H2,18,19,20);5H,1-4H2",C17H29O9P.C4H9NO,,,,,,WRSNDIOFCZIHMV-UHFFFAOYSA-N,,,,,,,,,,,
100.099.035,308-998-2,99670-25-4,"Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, sodium salt",-,[Na+].OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,[Na+].OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,"InChI=1/C34H55O14P.Na/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;/h1-10H,11-32H2,(H,35,36);/q;+1",C34H55O14P.Na,,,,,,ICTDZBKODTYJFP-UHFFFAOYSA-N,,,,,,,,,,,
100.099.036,308-999-8,99670-26-5,"1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate, compound with 2,2'-iminobis[ethanol] (1:1)","16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",OCCNCCO.OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1,OCCNCCO.OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1,"InChI=1/C17H29O9P.C4H11NO2/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17;6-3-1-5-2-4-7/h1-5H,6-16H2,(H2,18,19,20);5-7H,1-4H2",C17H29O9P.C4H11NO2,,,,,,HLWAVHXDLUYSBE-UHFFFAOYSA-N,,,,,,,,,,,
100.099.037,309-000-8,99670-27-6,"Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, compound with 2,2'-iminobis[ethanol] (1:1)","bis(16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl) hydrogen phosphate - 2,2'-iminodiethanol (1:1)",OCCNCCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,OCCNCCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,"InChI=1/C34H55O14P.C4H11NO2/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;6-3-1-5-2-4-7/h1-10H,11-32H2,(H,35,36);5-7H,1-4H2",C34H55O14P.C4H11NO2,,,,,,AKSQJVCZEAYLSS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.320,303-799-7,94230-87-2,"7-methoxy-3,7-dimethyloctan-3-ol","7-methoxy-3,7-dimethyloctan-3-ol",CCC(C)(O)CCCC(C)(C)OC,CCC(C)(O)CCCC(C)(C)OC,"InChI=1/C11H24O2/c1-6-11(4,12)9-7-8-10(2,3)13-5/h12H,6-9H2,1-5H3",C11H24O2,,,,,,GOQKULHUGPFFMU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.321,303-800-0,94230-88-3,N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxybenzamide,N-(2-cyclohex-1-en-1-ylethyl)-4-methoxybenzamide,COc1ccc(cc1)C(=O)NCCC2=CCCCC2,COc1ccc(cc1)C(=O)NCCC2=CCCCC2,"InChI=1/C16H21NO2/c1-19-15-9-7-14(8-10-15)16(18)17-12-11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11-12H2,1H3,(H,17,18)",C16H21NO2,,,,,,ZGTNFZJYRNJFIV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.952,304-494-1,94276-05-8,"Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate","ammonium 4-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)benzenesulfonate",[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N2C(=S)Nc3ccccc3C2=O,[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N2C(=S)Nc3ccccc3C2=O,"InChI=1/C14H10N2O4S2.H3N/c17-13-11-3-1-2-4-12(11)15-14(21)16(13)9-5-7-10(8-6-9)22(18,19)20;/h1-8H,(H,15,21)(H,18,19,20);1H3",C14H10N2O4S2.H3N,,,,,,PGSXLOPFPCVYCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.953,304-495-7,94276-06-9,(p-chlorobenzyl)bis[2-(2-cyanoethoxy)ethyl]methylammonium bromide,N-(4-chlorobenzyl)-2-(2-cyanoethoxy)-N-[2-(2-cyanoethoxy)ethyl]-N-methylethanaminium bromide,[Br-].C[N+](CCOCCC#N)(CCOCCC#N)Cc1ccc(Cl)cc1,[Br-].C[N+](CCOCCC#N)(CCOCCC#N)Cc1ccc(Cl)cc1,"InChI=1/C18H25ClN3O2.BrH/c1-22(10-14-23-12-2-8-20,11-15-24-13-3-9-21)16-17-4-6-18(19)7-5-17;/h4-7H,2-3,10-16H2,1H3;1H/q+1;/p-1",C18H25ClN3O2.Br,,,,,,RYJQZNNFRQRMLE-UHFFFAOYSA-M,,,,,,,,,,,
100.094.956,304-498-3,94276-10-5,5-methoxy-4-methyl-2-[[4-nitro-2-(phenylsulphonyl)phenyl]azo]benzenediazonium hydrogen sulphate,5-methoxy-4-methyl-2-{[4-nitro-2-(phenylsulfonyl)phenyl]diazenyl}benzenediazonium hydrogen sulfate,[H+].Cc3cc(N=Nc1ccc(cc1S(=O)(=O)c2ccccc2)[N+]([O-])=O)c(cc3OC)[N+]#N.[O-]S([O-])(=O)=O,[H+].Cc3cc(N=Nc1ccc(cc1S(=O)(=O)c2ccccc2)[N+]([O-])=O)c(cc3OC)[N+]#N.[O-]S([O-])(=O)=O,"InChI=1/C20H16N5O5S.H2O4S.H2/c1-13-10-18(17(22-21)12-19(13)30-2)24-23-16-9-8-14(25(26)27)11-20(16)31(28,29)15-6-4-3-5-7-15;1-5(2,3)4;/h3-12H,1-2H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C20H16N5O5S.HO4S,,,,,,QQYUAESMTJXEPV-UHFFFAOYSA-M,,,,,,,,,,,
100.094.958,304-500-2,94276-13-8,2-[(2-chloro-4-nitrophenyl)azo]-5-methoxy-4-methylbenzenediazonium hydrogen sulphate,2-[(2-chloro-4-nitrophenyl)diazenyl]-5-methoxy-4-methylbenzenediazonium hydrogen sulfate,[H+].Clc2cc(ccc2N=Nc1cc(C)c(OC)cc1[N+]#N)[N+]([O-])=O.[O-]S([O-])(=O)=O,[H+].Clc2cc(ccc2N=Nc1cc(C)c(OC)cc1[N+]#N)[N+]([O-])=O.[O-]S([O-])(=O)=O,"InChI=1/C14H11ClN5O3.H2O4S.H2/c1-8-5-13(12(17-16)7-14(8)23-2)19-18-11-4-3-9(20(21)22)6-10(11)15;1-5(2,3)4;/h3-7H,1-2H3;(H2,1,2,3,4);1H/q+1;;+1/p-2",C14H11ClN5O3.HO4S,,,,,,WXBMCJBSNCZTIW-UHFFFAOYSA-M,,,,,,,,,,,
100.094.961,304-503-9,94276-17-2,"3-chloro-4-[[4-[[2-(dimethylamino)ethyl]ethylamino]phenyl]azo]-N,N,N-trimethylanilinium thiocyanate","3-chloro-4-[(4-{[2-(dimethylamino)ethyl](ethyl)amino}phenyl)diazenyl]-N,N,N-trimethylanilinium thiocyanate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[S-]C#N,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[S-]C#N,"InChI=1/C21H31ClN5.CHNS/c1-7-26(15-14-25(2)3)18-10-8-17(9-11-18)23-24-21-13-12-19(16-20(21)22)27(4,5)6;2-1-3/h8-13,16H,7,14-15H2,1-6H3;3H/q+1;/p-1",C21H31ClN5.CNS,,,,,,NWDJSTAZDMHVEI-UHFFFAOYSA-M,,,,,,,,,,,
100.096.672,306-390-1,97171-73-8,"N-[3-[[[4,5-dihydro-4-[(4-methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]carbonyl]phenyl]-N2-(2-methylpropionyl)-N2-octadecyl-DL-asparagine","N~2~-isobutyryl-N-[3-({4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}carbamoyl)phenyl]-N~2~-octadecyl-L-asparagine",CC(C)C(=O)N(CCCCCCCCCCCCCCCCCC)[C@@H](CC(=O)Nc1cccc(c1)C(=O)N/C4=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C4N=Nc3ccc(OC)cc3)C(O)=O,CC(C)C(=O)N(CCCCCCCCCCCCCCCCCC)[C@@H](CC(=O)Nc1cccc(c1)C(=O)N/C4=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C4N=Nc3ccc(OC)cc3)C(O)=O,"InChI=1/C49H64Cl3N7O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-58(47(62)33(2)3)41(49(64)65)32-42(60)53-37-23-21-22-34(29-37)46(61)54-45-43(56-55-36-24-26-38(66-4)27-25-36)48(63)59(57-45)44-39(51)30-35(50)31-40(44)52/h21-27,29-31,33,41,43H,5-20,28,32H2,1-4H3,(H,53,60)(H,64,65)(H,54,57,61)",C49H64Cl3N7O7,,,,,,ZSZZBTFRBZAVHV-MTSCCGHGSA-N,,,,,,,,,,,
100.096.674,306-392-2,97171-75-0,"Disodium 1-phenyl-3-[[4-[(2-pyrimidinylamino)sulphonyl]phenyl]amino]propane-1,3-disulphonate","disodium 1-phenyl-3-{[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino}propane-1,3-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)C(CC(c1ccccc1)S(=O)(=O)[O-])Nc2ccc(cc2)S(=O)(=O)Nc3ncccn3,[Na+].[Na+].[O-]S(=O)(=O)C(CC(c1ccccc1)S(=O)(=O)[O-])Nc2ccc(cc2)S(=O)(=O)Nc3ncccn3,"InChI=1/C19H20N4O8S3.2Na/c24-32(25,23-19-20-11-4-12-21-19)16-9-7-15(8-10-16)22-18(34(29,30)31)13-17(33(26,27)28)14-5-2-1-3-6-14;;/h1-12,17-18,22H,13H2,(H,20,21,23)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C19H20N4O8S3.2Na,,,,,,CVEFAXSOHINGPV-UHFFFAOYSA-L,,,,,,,,,,,
100.096.689,306-409-3,97190-15-3,Isobutyl (-)-2-(4-chloro-2-methylphenoxy)propionate,isobutyl 2-(4-chloro-2-methylphenoxy)propanoate,CC(C)COC(=O)C(C)Oc1ccc(Cl)cc1C,CC(C)COC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C14H19ClO3/c1-9(2)8-17-14(16)11(4)18-13-6-5-12(15)7-10(13)3/h5-7,9,11H,8H2,1-4H3",C14H19ClO3,,,,,,RMPYJRQOSTUDNH-UHFFFAOYSA-N,,,,,,,,,,,
100.080.356,288-422-3,85721-12-6,Sodium 3-[[5-[(diethylamino)sulphonyl]-2-methoxyphenyl]azo]-4-hydroxynaphthalene-1-sulphonate,sodium 3-{[5-(diethylsulfamoyl)-2-methoxyphenyl]diazenyl}-4-hydroxynaphthalene-1-sulfonate,[Na+].COc3ccc(cc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)S(=O)(=O)N(CC)CC,[Na+].COc3ccc(cc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)S(=O)(=O)N(CC)CC,"InChI=1/C21H23N3O7S2.Na/c1-4-24(5-2)32(26,27)14-10-11-19(31-3)17(12-14)22-23-18-13-20(33(28,29)30)15-8-6-7-9-16(15)21(18)25;/h6-13,25H,4-5H2,1-3H3,(H,28,29,30);/q;+1/p-1",C21H23N3O7S2.Na,,,,,,FTJTTXCWVYOVRK-UHFFFAOYSA-M,,,,,,,,,,,
100.080.365,288-432-8,85721-21-7,"1,2,3,4-tetrahydro-1-methyl-4-nonylnaphthalene","1-methyl-4-nonyl-1,2,3,4-tetrahydronaphthalene",CCCCCCCCCC1CCC(C)c2ccccc12,CCCCCCCCCC1CCC(C)c2ccccc12,"InChI=1/C20H32/c1-3-4-5-6-7-8-9-12-18-16-15-17(2)19-13-10-11-14-20(18)19/h10-11,13-14,17-18H,3-9,12,15-16H2,1-2H3",C20H32,,,,,,MJRWNISWNMCQDF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.366,288-433-3,85721-22-8,"1-decyl-1,2,3,4-tetrahydro-4-methylnaphthalene","1-decyl-4-methyl-1,2,3,4-tetrahydronaphthalene",CCCCCCCCCCC1CCC(C)c2ccccc12,CCCCCCCCCCC1CCC(C)c2ccccc12,"InChI=1/C21H34/c1-3-4-5-6-7-8-9-10-13-19-17-16-18(2)20-14-11-12-15-21(19)20/h11-12,14-15,18-19H,3-10,13,16-17H2,1-2H3",C21H34,,,,,,FJHJRKITLLIESI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.367,288-434-9,85721-23-9,"1-butyl-1,2,3,4-tetrahydro-4-methylnaphthalene","1-butyl-4-methyl-1,2,3,4-tetrahydronaphthalene",CCCCC1CCC(C)c2ccccc12,CCCCC1CCC(C)c2ccccc12,"InChI=1/C15H22/c1-3-4-7-13-11-10-12(2)14-8-5-6-9-15(13)14/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3",C15H22,,,,,,ZAPFTEJQJIGRNN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.371,288-439-6,85721-27-3,"2,3-dihexyloxirane","2,3-dihexyloxirane",CCCCCCC1OC1CCCCCC,CCCCCCC1OC1CCCCCC,"InChI=1/C14H28O/c1-3-5-7-9-11-13-14(15-13)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3",C14H28O,,,,,,NAPIHVDJYKONON-UHFFFAOYSA-N,,,,,,,,,,,
100.080.373,288-441-7,85721-29-5,"4-allyldecahydro-1a-methyl-3,6-methanonaphth[2,3-b]oxirene","4-allyl-1a-methyldecahydro-3,6-methanonaphtho[2,3-b]oxirene",CC12CC3C4CC(CC4CC=C)C3CC1O2,CC12CC3C4CC(CC4CC=C)C3CC1O2,"InChI=1/C15H22O/c1-3-4-9-5-10-6-11(9)13-8-15(2)14(16-15)7-12(10)13/h3,9-14H,1,4-8H2,2H3",C15H22O,,,,,,FUMIEXJMOTUCGS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.374,288-442-2,85721-30-8,"3-(N,N-diisopropylamino)propane-1,2-diol","3-(diisopropylamino)propane-1,2-diol",CC(C)N(CC(O)CO)C(C)C,CC(C)N(CC(O)CO)C(C)C,"InChI=1/C9H21NO2/c1-7(2)10(8(3)4)5-9(12)6-11/h7-9,11-12H,5-6H2,1-4H3",C9H21NO2,,,,,,OYYXNGVBOWXTPN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.479,289-661-6,89976-96-5,Ethylene bis(cyanoacetate),"ethane-1,2-diyl bis(cyanoacetate)",O=C(CC#N)OCCOC(=O)CC#N,O=C(CC#N)OCCOC(=O)CC#N,"InChI=1/C8H8N2O4/c9-3-1-7(11)13-5-6-14-8(12)2-4-10/h1-2,5-6H2",C8H8N2O4,,,,,,UASCOHMZKHIVQW-UHFFFAOYSA-N,,,,,,,,,,,
100.080.125,288-167-8,85665-76-5,3-[p-(dimethylamino)phenyl]propanol,3-[4-(dimethylamino)phenyl]propan-1-ol,CN(C)c1ccc(CCCO)cc1,CN(C)c1ccc(CCCO)cc1,"InChI=1/C11H17NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h5-8,13H,3-4,9H2,1-2H3",C11H17NO,,,,,,ODMQOXACKWYUNF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.131,288-174-6,85665-82-3,3-(p-isopropylphenyl)-2-methyl-1-(phenethyloxy)propanol,3-(4-isopropylphenyl)-2-methyl-1-(2-phenylethoxy)propan-1-ol,CC(C)c1ccc(CC(C)C(O)OCCc2ccccc2)cc1,CC(C)c1ccc(CC(C)C(O)OCCc2ccccc2)cc1,"InChI=1/C21H28O2/c1-16(2)20-11-9-19(10-12-20)15-17(3)21(22)23-14-13-18-7-5-4-6-8-18/h4-12,16-17,21-22H,13-15H2,1-3H3",C21H28O2,,,,,,UFSYSTJMMODDEE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.143,288-187-7,85676-84-2,"(E)-3,7-dimethyl-2,6-octadien-4-ol","3,7-dimethylocta-2,6-dien-4-ol",C\\C=C(/C)\\C(O)CC=C(C)C,C\C=C(/C)\C(O)CC=C(C)C,"InChI=1/C10H18O/c1-5-9(4)10(11)7-6-8(2)3/h5-6,10-11H,7H2,1-4H3",C10H18O,,,,,,DBDAINYAWYUITG-WEVVVXLNSA-N,,,,,,,,,,,
100.080.144,288-188-2,85676-94-4,"(Z)-3,7-dimethyl-2,6-octadien-4-ol","3,7-dimethylocta-2,6-dien-4-ol",C\\C=C(\\C)/C(O)CC=C(C)C,C\C=C(\C)/C(O)CC=C(C)C,"InChI=1/C10H18O/c1-5-9(4)10(11)7-6-8(2)3/h5-6,10-11H,7H2,1-4H3",C10H18O,,,,,,DBDAINYAWYUITG-UITAMQMPSA-N,,,,,,,,,,,
100.084.435,292-913-8,91023-18-6,Sodium 1-carboxylatoethyl oleate,sodium 2-(oleoyloxy)propanoate,[Na+].CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-],[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-],"InChI=1/C21H38O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);/q;+1/p-1",C21H38O4.Na,,,,,,NJNQEBLRUUXCCY-GMFCBQQYSA-M,,,,,,,,,,,
100.080.184,288-232-0,85681-94-3,"2,4-dichloro-6-(octadecyloxy)-1,3,5-triazine","2,4-dichloro-6-(octadecyloxy)-1,3,5-triazine",CCCCCCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1,CCCCCCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1,"InChI=1/C21H37Cl2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-21-25-19(22)24-20(23)26-21/h2-18H2,1H3",C21H37Cl2N3O,,,,,,PEXGADKHPIKDFP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.185,288-233-6,85681-95-4,5-amino-2-propylphenol,5-amino-2-propylphenol,CCCc1ccc(N)cc1O,CCCc1ccc(N)cc1O,"InChI=1/C9H13NO/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,11H,2-3,10H2,1H3",C9H13NO,,,,,,OBSVPCXXFVMJDF-UHFFFAOYSA-N,,,,,,,,,,,
100.080.201,288-250-9,85702-59-6,"Methyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate","methyl 8-ethyl-2-(methylsulfanyl)-5-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate",CCN1CC(C(=O)OC)C(=O)c2cnc(SC)nc12,CCN1CC(C(=O)OC)C(=O)c2cnc(SC)nc12,"InChI=1/C12H15N3O3S/c1-4-15-6-8(11(17)18-2)9(16)7-5-13-12(19-3)14-10(7)15/h5,8H,4,6H2,1-3H3",C12H15N3O3S,,,,,,SUDFURBPZBYNKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.162,306-929-0,97467-81-7,"Benzenesulfonic acid, dodecyl-, zinc salt, basic",-,[Zn+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[Zn+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],"InChI=1/C18H30O3S.Zn/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+2/p-1",-,,,,,,KXXHVORAYBOHPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.097.169,306-936-9,97467-88-4,"Octanoic acid, magnesium salt, basic",-,[Mg+2].CCCCCCCC(=O)[O-],[Mg+2].CCCCCCCC(=O)[O-],"InChI=1/C8H16O2.Mg/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+2/p-1",-,,,,,,WPPXATPYYIEUQR-UHFFFAOYSA-M,,,,,,,,,,,
100.098.990,308-949-5,99116-27-5,Iron(3+) pentadecanoate,iron(3+) tripentadecanoate,[Fe+3].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],[Fe+3].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C15H30O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h3*2-14H2,1H3,(H,16,17);/q;;;+3/p-3",C15H30O2.1/3Fe,,,,,,ICNOKEQYOALILV-UHFFFAOYSA-K,,,,,,,,,,,
100.098.991,308-950-0,99116-28-6,Iron icosanoate (1:3),iron icosanoate (1:3),[Fe].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],[Fe].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C20H40O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3*2-19H2,1H3,(H,21,22);/q;;;+2/p-3",C20H40O2.1/3Fe,,,,,,CUPOZLRUGZVUGF-UHFFFAOYSA-K,,,,,,,,,,,
100.095.401,304-988-7,94313-88-9,[4-cyano-4-(3-methoxyphenyl)hexadec-1-yl](5-methoxyphenethyl)methylammonium chloride,4-cyano-4-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-N-methylhexadecan-1-aminium chloride,[Cl-].CCCCCCCCCCCCC(CCC[NH+](C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2,[Cl-].CCCCCCCCCCCCC(CCC[NH+](C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2,"InChI=1/C34H52N2O2.ClH/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3;/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3;1H",C34H52N2O2.ClH,,,,,,SPIVBBPTKHDDSC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.408,304-996-0,94313-96-9,Lithium sodium 4-[[4-[[4-(2-hydroxypropoxy)phenyl]azo]-5-methoxy-2-methylphenyl]azo]benzenesulphonate,-,[Li+].[Na+].COc3cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(OCC(C)O)cc2,[Li+].[Na+].COc3cc(N=Nc1ccc(cc1)S([O-])(=O)=O)c(C)cc3N=Nc2ccc(OCC(C)O)cc2,"InChI=1/C23H24N4O6S.Li.Na/c1-15-12-22(27-25-17-4-8-19(9-5-17)33-14-16(2)28)23(32-3)13-21(15)26-24-18-6-10-20(11-7-18)34(29,30)31;;/h4-13,16,28H,14H2,1-3H3,(H,29,30,31);;/q;2*+1/p-1",C23H24N4O6S.xLi.xNa,,,,,,MAHDCBXZMPBGGX-UHFFFAOYSA-M,,,,,,,,,,,
100.095.410,304-998-1,94313-98-1,"Dodecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","dodecyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",CCCCCCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1,CCCCCCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C17H28N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-23-16(21)14-13-15(20)19-17(22)18-14/h13H,2-12H2,1H3,(H2,18,19,20,22)",C17H28N2O4,,,,,,VDRNRWULSNOIRB-UHFFFAOYSA-N,,,,,,,,,,,
100.095.414,305-002-8,94314-02-0,4-(diethylamino)-3-methylbenzenediazonium tetrachlorozincate (1:1),-,CCN(CC)c1ccc(cc1C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(CC)c1ccc(cc1C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/C11H16N3.4ClH.Zn/c1-4-14(5-2)11-7-6-10(13-12)8-9(11)3;;;;;/h6-8H,4-5H2,1-3H3;4*1H;/q+1;;;;;+2/p-4/rC11H16N3.Cl4Zn/c1-4-14(5-2)11-7-6-10(13-12)8-9(11)3;1-5(2,3)4/h6-8H,4-5H2,1-3H3;/q+1;-2",C11H16N3.Cl4Zn,,,,,,MKCOZBLKYODMKJ-UHFFFAOYSA-J,,,,,,,,,,,
100.095.419,305-008-0,94333-31-0,"Di[(Z)-octadec-9-enyl] hydrogen dithiophosphate, compound with 2-aminoethanol (1:1)","O,S-dioctadec-9-en-1-yl hydrogen dithiophosphate - 2-aminoethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCCOP(=O)(S)SCCCCCCCC\\C=C/CCCCCCCC.NCCO,CCCCCCCC\C=C/CCCCCCCCOP(=O)(S)SCCCCCCCC\C=C/CCCCCCCC.NCCO,"InChI=1/C36H71O2PS2.C2H7NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-39(37,40)41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;3-1-2-4/h17-20H,3-16,21-36H2,1-2H3,(H,37,40);4H,1-3H2",C36H71O2PS2.C2H7NO,,,,,,NCSAMROYVQQFKD-AWLASTDMSA-N,,,,,,,,,,,
100.095.421,305-010-1,94333-33-2,2-[2-hydroxy-3-(trimethylammonio)propoxy]-3-[1-[(tridecyloxy)methyl]-2-(trimethylammonio)ethoxy]propyltrimethylammonium trichloride,"2-hydroxy-N,N,N-trimethyl-3-(2-{2-(tridecyloxy)-1-[(trimethylammonio)methyl]ethoxy}-1-[(trimethylammonio)methyl]ethoxy)propan-1-aminium trichloride",[Cl-].[Cl-].[Cl-].CCCCCCCCCCCCCOCC(C[N+](C)(C)C)OCC(C[N+](C)(C)C)OCC(O)C[N+](C)(C)C,[Cl-].[Cl-].[Cl-].CCCCCCCCCCCCCOCC(C[N+](C)(C)C)OCC(C[N+](C)(C)C)OCC(O)C[N+](C)(C)C,"InChI=1/C31H70N3O4.3ClH/c1-11-12-13-14-15-16-17-18-19-20-21-22-36-27-30(24-33(5,6)7)38-28-31(25-34(8,9)10)37-26-29(35)23-32(2,3)4;;;/h29-31,35H,11-28H2,1-10H3;3*1H/q+3;;;/p-3",C31H70N3O4.3Cl,,,,,,WKZPLIKOBUENKP-UHFFFAOYSA-K,,,,,,,,,,,
100.095.423,305-012-2,94333-35-4,"Chromium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:3)","chromium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:3)",[Cr].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2.[O-]C(=O)C3=CC(=O)NC(=O)N3,[Cr].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2.[O-]C(=O)C3=CC(=O)NC(=O)N3,"InChI=1/3C5H4N2O4.Cr/c3*8-3-1-2(4(9)10)6-5(11)7-3;/h3*1H,(H,9,10)(H2,6,7,8,11);/q;;;+2/p-3",C5H4N2O4.1/3Cr,,,,,,SEXDTDMILGIUEB-UHFFFAOYSA-K,,,,,,,,,,,
100.095.424,305-013-8,94333-36-5,"Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)","iron(2+) bis(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate)",[Fe+2].O=C([O-])C\\1=C\\C(=O)NC(=O)N/1.[O-]C(=O)C\\1=C\\C(=O)NC(=O)N/1,[Fe+2].O=C([O-])C\1=C\C(=O)NC(=O)N/1.[O-]C(=O)C\1=C\C(=O)NC(=O)N/1,"InChI=1/2C5H4N2O4.Fe/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",C5H4N2O4.1/2Fe,,,,,,QOOMRZNLVISVGR-UHFFFAOYSA-L,,,,,,,,,,,
100.096.691,306-411-4,97192-00-2,"Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, silicate","bis[9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium] oxosilanediolate",CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)O)c8ccc(cc8[o+]c6c5)N(CC)CC.[O-][Si](=O)[O-],CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)O)c8ccc(cc8[o+]c6c5)N(CC)CC.[O-][Si](=O)[O-],"InChI=1/2C28H30N2O3.O3Si/c2*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-4(2)3/h2*9-18H,5-8H2,1-4H3;/q;;-2/p+2",-,,,,,,KXDNORMPOUSIIB-UHFFFAOYSA-N,,,,,,,,,,,
100.096.702,306-424-5,97259-62-6,"(2E,6Z)-octa-2,6-dienol","octa-2,6-dien-1-ol",C\\C=C/CC\\C=C\\CO,C\C=C/CC\C=C\CO,"InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,6-7,9H,4-5,8H2,1H3",C8H14O,,,,,,ONYJRUXYOCZIAW-BRXUXDTNSA-N,,,,,,,,,,,
100.094.359,303-841-4,94231-26-2,"[dodecane-1,12-diylbis(ethyldimethylammonium)] dibromide","N,N'-diethyl-N,N,N',N'-tetramethyldodecane-1,12-diaminium dibromide",[Br-].[Br-].CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC,[Br-].[Br-].CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC,"InChI=1/C20H46N2.2BrH/c1-7-21(3,4)19-17-15-13-11-9-10-12-14-16-18-20-22(5,6)8-2;;/h7-20H2,1-6H3;2*1H/q+2;;/p-2",C20H46N2.2Br,,,,,,ZLEDIFJIFPEVLV-UHFFFAOYSA-L,,,,,,,,,,,
100.094.501,303-998-9,94232-70-9,2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-3-(3-sulphonatopropyl)benzothiazolium,"3-[2-(2-{[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-5-chloro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC(O)=O,[O-]S(=O)(=O)CCC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC(O)=O,"InChI=1/C25H24Cl2N2O5S3/c1-2-16(13-24-29(10-8-25(30)31)20-15-18(27)5-7-22(20)36-24)12-23-28(9-3-11-37(32,33)34)19-14-17(26)4-6-21(19)35-23/h4-7,12-15H,2-3,8-11H2,1H3,(H-,30,31,32,33,34)",C25H24Cl2N2O5S3,,,,,,UPMBCOCBOLASHO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.509,304-007-2,94232-79-8,D-glucitol hexakis(bromoacetate),"1,2,3,4,5,6-hexakis-O-(bromoacetyl)-D-glucitol",BrCC(=O)OC[C@H](OC(=O)CBr)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@@H](COC(=O)CBr)OC(=O)CBr,BrCC(=O)OC[C@H](OC(=O)CBr)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@@H](COC(=O)CBr)OC(=O)CBr,"InChI=1/C18H20Br6O12/c19-1-11(25)31-7-9(33-13(27)3-21)17(35-15(29)5-23)18(36-16(30)6-24)10(34-14(28)4-22)8-32-12(26)2-20/h9-10,17-18H,1-8H2",C18H20Br6O12,,,,,,KXLVTWBHOAXHQM-AYBUMKCRSA-N,,,,,,,,,,,
100.096.711,306-433-4,97259-71-7,N-ethyl-4-[(5-nitrothiazol-2-yl)azo]-N-(2-octyloxyethyl)aniline,"N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-[2-(octyloxy)ethyl]aniline",CCN(CCOCCCCCCCC)c1ccc(cc1)N=Nc2ncc(s2)[N+]([O-])=O,CCN(CCOCCCCCCCC)c1ccc(cc1)N=Nc2ncc(s2)[N+]([O-])=O,"InChI=1/C21H31N5O3S/c1-3-5-6-7-8-9-15-29-16-14-25(4-2)19-12-10-18(11-13-19)23-24-21-22-17-20(30-21)26(27)28/h10-13,17H,3-9,14-16H2,1-2H3",C21H31N5O3S,,,,,,UVHUVIDLPCPMKK-UHFFFAOYSA-N,,,,,,,,,,,
100.096.723,306-447-0,97259-83-1,"Sulphanilic acid, compound with N,1,5-trimethylhexylamine (1:1)","4-aminobenzenesulfonic acid - N,6-dimethylheptan-2-amine (1:1)",CNC(C)CCCC(C)C.Nc1ccc(cc1)S(=O)(=O)O,CNC(C)CCCC(C)C.Nc1ccc(cc1)S(=O)(=O)O,"InChI=1/C9H21N.C6H7NO3S/c1-8(2)6-5-7-9(3)10-4;7-5-1-3-6(4-2-5)11(8,9)10/h8-10H,5-7H2,1-4H3;1-4H,7H2,(H,8,9,10)",C9H21N.C6H7NO3S,,,,,,AXUQJXMVHKRFMV-UHFFFAOYSA-N,,,,,,,,,,,
100.096.725,306-449-1,97259-85-3,16-methylheptadecyl (Z)-docos-13-enoate,16-methylheptadecyl docos-13-enoate,CCCCCCCC\\C=C/CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C,"InChI=1/C40H78O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(41)42-38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39(2)3/h11-12,39H,4-10,13-38H2,1-3H3",C40H78O2,,,,,,BDYMKXOJTJMBDU-QXMHVHEDSA-N,,,,,,,,,,,
100.096.738,306-463-8,97280-69-8,"Tris[9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium] phosphate","tris[9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium] phosphate",CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)O)c8ccc(cc8[o+]c6c5)N(CC)CC.CCN(CC)c9ccc%10c(c%11ccccc%11C(=O)O)c%12ccc(cc%12[o+]c%10c9)N(CC)CC.[O-]P(=O)([O-])[O-],CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)O)c8ccc(cc8[o+]c6c5)N(CC)CC.CCN(CC)c9ccc%10c(c%11ccccc%11C(=O)O)c%12ccc(cc%12[o+]c%10c9)N(CC)CC.[O-]P(=O)([O-])[O-],"InChI=1/3C28H30N2O3.H3O4P/c3*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-5(2,3)4/h3*9-18H,5-8H2,1-4H3;(H3,1,2,3,4)",C28H31N2O3.1/3O4P,,,,,,UZRKOJLQCTWNFY-UHFFFAOYSA-N,,,,,,,,,,,
100.098.288,308-169-5,97889-90-2,Lead fluoride hydroxide,-,[Pb+2].[F-].[OH-],[Pb+2].[F-].[OH-],InChI=1/FH.H2O.Pb.2H/h1H;1H2;;;/q;;+4;;/p-2/rFH.H2O.H2Pb/h1H;2*1H2/q;;+4/p-2,FHOPb,,,,,,DRUMTBTYLQUOOC-UHFFFAOYSA-L,,,,,,,,,,,
100.098.290,308-171-6,97889-92-4,"2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium","4-[2-{2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene}-5,6-dimethoxy-1,3-benzothiazol-3(2H)-yl]butane-1-sulfonate",CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1cc(OC)c(cc1N2CCCCS([O-])(=O)=O)OC,CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2Sc1cc(OC)c(cc1N2CCCCS([O-])(=O)=O)OC,"InChI=1/C29H36N2O5S3/c1-7-21(15-28-30(8-2)22-13-19(3)20(4)14-26(22)37-28)16-29-31(11-9-10-12-39(32,33)34)23-17-24(35-5)25(36-6)18-27(23)38-29/h13-18H,7-12H2,1-6H3",C29H36N2O5S3,,,,,,OYZPNSGLVBKWLO-UHFFFAOYSA-N,,,,,,,,,,,
100.080.203,288-253-5,85702-61-0,"Estra-1,3,5(10)-triene-3,17ß-diol 17-(10-undecenoate)","3-hydroxyestra-1,3,5(10)-trien-17-yl undec-10-enoate",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,"InChI=1/C29H42O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h3,13,15,20,24-27,30H,1,4-12,14,16-19H2,2H3",C29H42O3,,,,,,VJTIEHBTPQORML-GVGNIZHQSA-N,,,,,,,,,,,
100.080.205,288-255-6,85702-63-2,"3-[[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]oxazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]naphth[2,3-f]quinoxaline-2,7,12(1H)-trione","3-{[4-amino-3-(5,10-dioxo-5,10-dihydroanthra[2,3-d][1,3]oxazol-2-yl)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}naphtho[2,3-f]quinoxaline-2,7,12(1H)-trione",Nc1c(cc(NC2=Nc3ccc4C(=O)c5ccccc5C(=O)c4c3NC2=O)c6C(=O)c7ccccc7C(=O)c16)c8oc9cc%10C(=O)c%11ccccc%11C(=O)c%10cc9n8,Nc1c(cc(NC2=Nc3ccc4C(=O)c5ccccc5C(=O)c4c3NC2=O)c6C(=O)c7ccccc7C(=O)c16)c8oc9cc%10C(=O)c%11ccccc%11C(=O)c%10cc9n8,"InChI=1/C45H21N5O8/c46-35-27(45-49-29-15-25-26(17-31(29)58-45)39(53)19-8-2-1-7-18(19)38(25)52)16-30(33-34(35)42(56)23-12-6-5-11-22(23)41(33)55)48-43-44(57)50-36-28(47-43)14-13-24-32(36)40(54)21-10-4-3-9-20(21)37(24)51/h1-17H,46H2,(H,47,48)(H,50,57)",C45H21N5O8,,,,,,RPTSTJLKLBROIE-UHFFFAOYSA-N,,,,,,,,,,,
100.083.049,291-388-2,90388-09-3,"Hexadecanoic acid, lead salt, basic",-,[Pb].OC(=O)CCCCCCCCCCCCCCC,[Pb].OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C16H32O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h2-15H2,1H3,(H,17,18);;;/q;+4;;/rC16H32O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);1H2/q;+4",-,,,,,,CTTASJIVHHYQOM-UHFFFAOYSA-N,,,,,,,,,,,
100.080.002,288-032-3,85631-83-0,"Sodium 4-[[5-[(2,4-dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate","sodium 4-({5-[(2,4-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)benzenesulfonate",[Na+].Oc2cc(O)c(cc2N=Nc1ccc(C)cc1C)N=Nc3ccc(cc3)S([O-])(=O)=O,[Na+].Oc2cc(O)c(cc2N=Nc1ccc(C)cc1C)N=Nc3ccc(cc3)S([O-])(=O)=O,"InChI=1/C20H18N4O5S.Na/c1-12-3-8-16(13(2)9-12)22-24-18-10-17(19(25)11-20(18)26)23-21-14-4-6-15(7-5-14)30(27,28)29;/h3-11,25-26H,1-2H3,(H,27,28,29);/q;+1/p-1",C20H18N4O5S.Na,,,,,,QKFQABDKMNQWLM-UHFFFAOYSA-M,,,,,,,,,,,
100.080.007,288-038-6,85631-88-5,"Trisodium 4-amino-3-[[4-[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(2-amino-4-hydroxyphenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Nc6cc(O)ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5,[Na+].[Na+].[Na+].Nc6cc(O)ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5,"InChI=1/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37,44-45H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C34H27N9O11S3.3Na,,,,,,GWAKFAUFNNPZFE-UHFFFAOYSA-K,,,,,,,,,,,
100.080.008,288-039-1,85631-89-6,"Trisodium 3-[(2-chloro-4-nitrophenyl)azo]-4-hydroxy-5-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]naphthalene-2,7-disulphonate","trisodium 3-[(2-chloro-4-nitrophenyl)diazenyl]-4-hydroxy-5-[(2-hydroxy-4-{[3-hydroxy-4-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]amino}phenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-][N+](=O)c7ccc(Nc1ccc(cc1)N=Nc2ccc(cc2O)Nc6ccc(N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3Cl)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c6)c(c7)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-][N+](=O)c7ccc(Nc1ccc(cc1)N=Nc2ccc(cc2O)Nc6ccc(N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3Cl)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c6)c(c7)S([O-])(=O)=O,"InChI=1/C40H27ClN10O16S3.3Na/c41-28-17-25(50(55)56)7-11-29(28)45-49-39-37(70(65,66)67)14-20-13-27(68(59,60)61)19-33(38(20)40(39)54)48-47-31-10-6-24(16-35(31)53)42-23-5-9-30(34(52)15-23)46-44-22-3-1-21(2-4-22)43-32-12-8-26(51(57)58)18-36(32)69(62,63)64;;;/h1-19,42-43,52-54H,(H,59,60,61)(H,62,63,64)(H,65,66,67);;;/q;3*+1/p-3",C40H27ClN10O16S3.3Na,,,,,,WPZDJLVYSZUKCT-UHFFFAOYSA-K,,,,,,,,,,,
100.080.009,288-040-7,85631-90-9,"Trisodium 4-amino-5-hydroxy-3-[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-5-hydroxy-3-{[4-({4-[(4-hydroxyphenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)cc6,[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)cc6,"InChI=1/C34H26N8O11S3.3Na/c35-31-30-19(17-29(56(51,52)53)33(34(30)44)42-39-21-4-2-1-3-5-21)16-28(55(48,49)50)32(31)41-40-24-12-15-26(27(18-24)54(45,46)47)36-20-6-8-22(9-7-20)37-38-23-10-13-25(43)14-11-23;;;/h1-18,36,43-44H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3",C34H26N8O11S3.3Na,,,,,,LOUUSPRSIYVVCL-UHFFFAOYSA-K,,,,,,,,,,,
100.095.426,305-015-9,94333-38-7,"Manganese 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)","manganese(2+) bis(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate)",[Mn+2].O=C([O-])C\\1=C\\C(=O)NC(=O)N/1.[O-]C(=O)C\\1=C\\C(=O)NC(=O)N/1,[Mn+2].O=C([O-])C\1=C\C(=O)NC(=O)N/1.[O-]C(=O)C\1=C\C(=O)NC(=O)N/1,"InChI=1/2C5H4N2O4.Mn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",C5H4N2O4.1/2Mn,,,,,,VNHIRKVBSRYPGG-UHFFFAOYSA-L,,,,,,,,,,,
100.095.431,305-021-1,94333-43-4,"2-ethyl-N,N,3-trimethylvaleramide","2-ethyl-N,N,3-trimethylpentanamide",CCC(C)C(CC)C(=O)N(C)C,CCC(C)C(CC)C(=O)N(C)C,"InChI=1/C10H21NO/c1-6-8(3)9(7-2)10(12)11(4)5/h8-9H,6-7H2,1-5H3",C10H21NO,,,,,,XREQPOSOCDVJEU-UHFFFAOYSA-N,,,,,,,,,,,
100.095.435,305-025-3,94333-47-8,Lithium hydrogen glutarate,lithium hydrogen glutarate,[Li+].[O-]C(=O)CCCC(=O)[O-],[Li+].[O-]C(=O)CCCC(=O)[O-],"InChI=1/C5H8O4.Li/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);/q;+1/p-2",C5H8O4.Li,,,,,,QBDYZFBUDLRWIZ-UHFFFAOYSA-L,,,,,,,,,,,
100.095.436,305-026-9,94333-48-9,Lithium hydrogen malate,hydrogen lithium malate,[Li+].OC(CC(=O)[O-])C(=O)[O-],[Li+].OC(CC(=O)[O-])C(=O)[O-],"InChI=1/C4H6O5.Li/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+1/p-2",C4H6O5.Li,,,,,,DSNICULMAZJWBF-UHFFFAOYSA-L,,,,,,,,,,,
100.095.437,305-027-4,94333-49-0,Bis[2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl] azelate,bis[2-(ethyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethyl] azelaate,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2)N(CC)CCOC(=O)CCCCCCCC(=O)OCCN(CC)c4ccc(N=Nc3ccc(cc3)[N+]([O-])=O)cc4,[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(cc2)N(CC)CCOC(=O)CCCCCCCC(=O)OCCN(CC)c4ccc(N=Nc3ccc(cc3)[N+]([O-])=O)cc4,"InChI=1/C41H48N8O8/c1-3-46(36-20-12-32(13-21-36)42-44-34-16-24-38(25-17-34)48(52)53)28-30-56-40(50)10-8-6-5-7-9-11-41(51)57-31-29-47(4-2)37-22-14-33(15-23-37)43-45-35-18-26-39(27-19-35)49(54)55/h12-27H,3-11,28-31H2,1-2H3",C41H48N8O8,,,,,,GYBRHQRTUFKPDR-UHFFFAOYSA-N,,,,,,,,,,,
100.095.438,305-029-5,94333-50-3,"Ethyl 2-ethyl-3,6,6-trimethylcyclohexenecarboxylate","ethyl 2-ethyl-3,6,6-trimethylcyclohex-1-ene-1-carboxylate",CCOC(=O)C1=C(CC)C(C)CCC1(C)C,CCOC(=O)C1=C(CC)C(C)CCC1(C)C,"InChI=1/C14H24O2/c1-6-11-10(3)8-9-14(4,5)12(11)13(15)16-7-2/h10H,6-9H2,1-5H3",C14H24O2,,,,,,KTRBAYCZFGTSLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.218,306-990-3,97488-55-6,"(Z)-2-(hydroxymethyl)-2-[[(1-oxooctadeca-9,12-dienyl)oxy]methyl]propane-1,3-diyl bis[(9Z,12Z)-octadeca-9,12-dienoate]","3-hydroxy-2,2-bis[(octadeca-9,12-dienoyloxy)methyl]propyl octadeca-9,12-dienoate (non-preferred name)",O=C(OCC(COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)(CO)COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)CCCCCCCC=CCC=CCCCCC,O=C(OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC=CCC=CCCCCC,"InChI=1/C59H102O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)64-53-59(52-60,54-65-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-66-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,60H,4-15,22-24,31-55H2,1-3H3",C59H102O7,,,,,,WXZIMZQDEGUSQL-IQIKGOQTSA-N,,,,,,,,,,,
100.097.219,306-991-9,97488-56-7,"3-hydroxy-2,2-bis(hydroxymethyl)propyl (9Z,12Z)-octadeca-9,12-dienoate","3-hydroxy-2,2-bis(hydroxymethyl)propyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCC(CO)(CO)CO,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(CO)(CO)CO,"InChI=1/C23H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h6-7,9-10,24-26H,2-5,8,11-21H2,1H3",C23H42O5,,,,,,QWSLXWOHIYWPGZ-HZJYTTRNSA-N,,,,,,,,,,,
100.095.439,305-030-0,94333-51-4,"Ethyl 6-ethylidene-2,2,5-trimethylcyclohexanecarboxylate","ethyl 6-ethylidene-2,2,5-trimethylcyclohexanecarboxylate",CC1CCC(C)(C)C(C1=CC)C(=O)OCC,CC1CCC(C)(C)C(C1=CC)C(=O)OCC,"InChI=1/C14H24O2/c1-6-11-10(3)8-9-14(4,5)12(11)13(15)16-7-2/h6,10,12H,7-9H2,1-5H3",C14H24O2,,,,,,DGWVYBNIXRBVCF-UHFFFAOYSA-N,,,,,,,,,,,
100.095.440,305-031-6,94333-52-5,N-[2-[(2-cyanoethyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide,N-{2-[(2-cyanoethyl)amino]ethyl}-N-[2-(stearoylamino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)C(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)C(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C43H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)46-39-41-47(40-38-45-37-33-36-44)43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45H,3-35,37-41H2,1-2H3,(H,46,48)",C43H84N4O2,,,,,,GSDRHHBTWYHUJM-UHFFFAOYSA-N,,,,,,,,,,,
100.095.442,305-033-7,94333-54-7,3-hydroxy-N-[2-(morpholino)ethyl]naphthalene-2-carboxamide hydrochloride,3-hydroxy-N-(2-morpholin-4-ylethyl)-2-naphthamide hydrochloride,Cl.Oc1cc2ccccc2cc1C(=O)NCCN3CCOCC3,Cl.Oc1cc2ccccc2cc1C(=O)NCCN3CCOCC3,"InChI=1/C17H20N2O3.ClH/c20-16-12-14-4-2-1-3-13(14)11-15(16)17(21)18-5-6-19-7-9-22-10-8-19;/h1-4,11-12,20H,5-10H2,(H,18,21);1H",C17H20N2O3.ClH,,,,,,PLLOCNAZCZMBEV-UHFFFAOYSA-N,,,,,,,,,,,
100.097.003,306-753-4,97403-91-3,"a-ethyl-a,ß-dimethylbicyclo[2.2.1]heptane-2-propanol","1-bicyclo[2.2.1]hept-2-yl-2,3-dimethylpentan-3-ol",CCC(C)(O)C(C)CC1CC2CCC1C2,CCC(C)(O)C(C)CC1CC2CCC1C2,"InChI=1/C14H26O/c1-4-14(3,15)10(2)7-13-9-11-5-6-12(13)8-11/h10-13,15H,4-9H2,1-3H3",C14H26O,,,,,,SPXVLDYYWKLTJU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.576,304-081-6,94236-84-7,Trisodium 4-[[1-hydroxy-6-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]naphthalene-1-sulphonate,trisodium 4-[(1-hydroxy-6-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}-3-sulfonato-2-naphthyl)diazenyl]naphthalene-1-sulfonate,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2cc1cc(ccc1c(O)c2)NC(=O)Nc3ccc6c(c3)cc(c(N=Nc5ccc(c4ccccc45)S([O-])(=O)=O)c6O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2cc1cc(ccc1c(O)c2)NC(=O)Nc3ccc6c(c3)cc(c(N=Nc5ccc(c4ccccc45)S([O-])(=O)=O)c6O)S([O-])(=O)=O,"InChI=1/C31H22N4O12S3.3Na/c36-26-15-20(48(39,40)41)13-16-11-18(5-7-21(16)26)32-31(38)33-19-6-8-22-17(12-19)14-28(50(45,46)47)29(30(22)37)35-34-25-9-10-27(49(42,43)44)24-4-2-1-3-23(24)25;;;/h1-15,36-37H,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",C31H22N4O12S3.3Na,,,,,,ZKQHPPVXRBTMAM-UHFFFAOYSA-K,,,,,,,,,,,
100.094.577,304-082-1,94236-85-8,"Sodium 2-[4-[(2,4-diaminophenyl)azo]anilino]-5-nitrobenzenesulphonate","sodium 2-({4-[(2,4-diaminophenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonate",[Na+].[O-][N+](=O)c3ccc(Nc2ccc(N=Nc1ccc(N)cc1N)cc2)c(c3)S([O-])(=O)=O,[Na+].[O-][N+](=O)c3ccc(Nc2ccc(N=Nc1ccc(N)cc1N)cc2)c(c3)S([O-])(=O)=O,"InChI=1/C18H16N6O5S.Na/c19-11-1-7-16(15(20)9-11)23-22-13-4-2-12(3-5-13)21-17-8-6-14(24(25)26)10-18(17)30(27,28)29;/h1-10,21H,19-20H2,(H,27,28,29);/q;+1/p-1",C18H16N6O5S.Na,,,,,,DXNMFOPLDOLPJP-UHFFFAOYSA-M,,,,,,,,,,,
100.094.579,304-084-2,94236-87-0,"Disodium 4-[(4-amino-2-hydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-[(4-amino-2-hydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc3cc(N)ccc3N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc3cc(N)ccc3N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C16H13N3O8S2.2Na/c17-9-1-2-12(14(20)5-9)18-19-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C16H13N3O8S2.2Na,,,,,,ACWRIADXYIZUNS-UHFFFAOYSA-L,,,,,,,,,,,
100.094.581,304-086-3,94236-89-2,"Tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris(benzenesulphonate)","tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzenesulfonate",[K+].[K+].[K+].[O-]S(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)[O-])nc(Nc4cccc(c4)S(=O)(=O)[O-])n2)c1,[K+].[K+].[K+].[O-]S(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)[O-])nc(Nc4cccc(c4)S(=O)(=O)[O-])n2)c1,"InChI=1/C21H18N6O9S3.3K/c28-37(29,30)16-7-1-4-13(10-16)22-19-25-20(23-14-5-2-8-17(11-14)38(31,32)33)27-21(26-19)24-15-6-3-9-18(12-15)39(34,35)36;;;/h1-12H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H3,22,23,24,25,26,27);;;/q;3*+1/p-3",C21H18N6O9S3.3K,,,,,,PXCHTXFLYYCDMY-UHFFFAOYSA-K,,,,,,,,,,,
100.094.587,304-093-1,94236-95-0,"1-hexadecyl hydrogen 2-sulphosuccinate, compound with 2,2'-iminobis[ethanol] (1:2)","4-(hexadecyloxy)-4-oxo-3-sulfobutanoic acid - 2,2'-iminodiethanol (1:2)",CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO,CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO,"InChI=1/C20H38O7S.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;2*6-3-1-5-2-4-7/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*5-7H,1-4H2",C20H38O7S.2C4H11NO2,,,,,,QNXKJENTVYUSNC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.588,306-298-1,96837-05-7,(2-hydroxyethyl)methyldioleylammonium chloride,N-(2-hydroxyethyl)-N-methyl-N-octadec-9-en-1-yloctadec-9-en-1-aminium chloride,[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](C)(CCO)CCCCCCCC\\C=C/CCCCCCCC,[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(CCO)CCCCCCCC\C=C/CCCCCCCC,"InChI=1/C39H78NO.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(3,38-39-41)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,41H,4-17,22-39H2,1-3H3;1H/q+1;/p-1",C39H78NO.Cl,,,,,,ZRMNOOHUVNXIGY-YIQDKWKASA-M,,,,,,,,,,,
100.096.590,306-300-0,96846-64-9,"1,1-dimethyl-5-methyleneheptyl isobutyrate","1,1-dimethyl-5-methyleneheptyl 2-methylpropanoate",CCC(=C)CCCC(C)(C)OC(=O)C(C)C,CCC(=C)CCCC(C)(C)OC(=O)C(C)C,"InChI=1/C14H26O2/c1-7-12(4)9-8-10-14(5,6)16-13(15)11(2)3/h11H,4,7-10H2,1-3,5-6H3",C14H26O2,,,,,,TVEVQXMPYUHNIH-UHFFFAOYSA-N,,,,,,,,,,,
100.096.594,306-304-2,96846-68-3,Diammonium 7-acetamido-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate,diammonium 7-acetamido-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate,[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(C)=O)S([O-])(=O)=O,[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(C)=O)S([O-])(=O)=O,"InChI=1/C24H19N5O8S2.2H3N/c1-14(30)25-19-8-11-21-15(12-19)13-22(39(35,36)37)23(24(21)31)29-28-17-4-2-16(3-5-17)26-27-18-6-9-20(10-7-18)38(32,33)34;;/h2-13,31H,1H3,(H,25,30)(H,32,33,34)(H,35,36,37);2*1H3",C24H19N5O8S2.2H3N,,,,,,IGMRMEZWBPZHOT-UHFFFAOYSA-N,,,,,,,,,,,
100.098.293,308-174-2,97889-95-7,Disodium 8-anilino-5-[[4-[(2-chloro-5-sulphonatophenyl)azo]naphthyl]azo]naphthalene-1-sulphonate,disodium 8-anilino-5-({4-[(2-chloro-5-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate,[Na+].[Na+].Clc6ccc(cc6N=Nc5ccc(N=Nc3ccc(Nc1ccccc1)c2c3cccc2S([O-])(=O)=O)c4ccccc45)S([O-])(=O)=O,[Na+].[Na+].Clc6ccc(cc6N=Nc5ccc(N=Nc3ccc(Nc1ccccc1)c2c3cccc2S([O-])(=O)=O)c4ccccc45)S([O-])(=O)=O,"InChI=1/C32H22ClN5O6S2.2Na/c33-25-14-13-21(45(39,40)41)19-30(25)38-36-27-16-15-26(22-9-4-5-10-23(22)27)35-37-28-17-18-29(34-20-7-2-1-3-8-20)32-24(28)11-6-12-31(32)46(42,43)44;;/h1-19,34H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",C32H22ClN5O6S2.2Na,,,,,,SADPAWIBXMADIL-UHFFFAOYSA-L,,,,,,,,,,,
100.098.296,308-177-9,97889-98-0,"2-(1,1-dimethyl-2-phenylethyl)-4,5-dimethyl-1,3-dioxolane","2-(1,1-dimethyl-2-phenylethyl)-4,5-dimethyl-1,3-dioxolane",CC1OC(OC1C)C(C)(C)Cc2ccccc2,CC1OC(OC1C)C(C)(C)Cc2ccccc2,"InChI=1/C15H22O2/c1-11-12(2)17-14(16-11)15(3,4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3",C15H22O2,,,,,,SLFGDPCCOZHKSS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.020,288-052-2,85650-44-8,"Disodium 5-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate","disodium 5-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Clc4nc(nc(Nc3cc(cc2cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)n4)c5ccccc5,[Na+].[Na+].Clc4nc(nc(Nc3cc(cc2cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)n4)c5ccccc5,"InChI=1/C25H17ClN6O7S2.2Na/c26-24-28-23(14-7-3-1-4-8-14)29-25(30-24)27-18-13-17(40(34,35)36)11-15-12-19(41(37,38)39)21(22(33)20(15)18)32-31-16-9-5-2-6-10-16;;/h1-13,33H,(H,34,35,36)(H,37,38,39)(H,27,28,29,30);;/q;2*+1/p-2",C25H17ClN6O7S2.2Na,,,,,,DULVJPMYVDGDJD-UHFFFAOYSA-L,,,,,,,,,,,
100.080.031,288-064-8,85650-56-2,"trans-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole maleate","5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole but-2-enedioate",CN1C[C@H]2[C@H](C1)c3cc(Cl)ccc3Oc4ccccc24.OC(=O)\\C=C/C(=O)O,CN1C[C@H]2[C@H](C1)c3cc(Cl)ccc3Oc4ccccc24.OC(=O)\C=C/C(=O)O,"InChI=1/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)",C17H16ClNO.C4H4O4,,,,,,GMDCDXMAFMEDAG-CHHFXETESA-N,,,,,,,,,,,
100.081.779,289-991-0,90052-75-8,2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate,2-octyldodecyl 12-(stearoyloxy)octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC,"InChI=1/C56H110O4/c1-5-9-13-17-20-22-23-24-25-26-27-28-34-39-45-51-56(58)60-54(48-42-16-12-8-4)49-43-37-32-29-30-33-38-44-50-55(57)59-52-53(46-40-35-19-15-11-7-3)47-41-36-31-21-18-14-10-6-2/h53-54H,5-52H2,1-4H3",C56H110O4,,,,,,XMFXBMLFOSSELI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.040,288-074-2,85650-65-3,"2-amino-4-[[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoyl]amino]benzenesulphonic acid","2-amino-4-{[4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoyl]amino}benzenesulfonic acid",CC1=NN(C(=O)C1)c2ccc(cc2)C(=O)Nc3ccc(c(N)c3)S(=O)(=O)O,CC1=NN(C(=O)C1)c2ccc(cc2)C(=O)Nc3ccc(c(N)c3)S(=O)(=O)O,"InChI=1/C17H16N4O5S/c1-10-8-16(22)21(20-10)13-5-2-11(3-6-13)17(23)19-12-4-7-15(14(18)9-12)27(24,25)26/h2-7,9H,8,18H2,1H3,(H,19,23)(H,24,25,26)",C17H16N4O5S,,,,,,SFJMKHDOGYSZHA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.042,288-076-3,85650-67-5,Sodium 6-amino-5-[[4-(benzoylamino)-2-[(p-tolyl)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-5-({4-(benzoylamino)-2-[(4-methylphenyl)sulfonyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate,[Na+].Cc1ccc(cc1)S(=O)(=O)c5cc(NC(=O)c2ccccc2)ccc5N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,[Na+].Cc1ccc(cc1)S(=O)(=O)c5cc(NC(=O)c2ccccc2)ccc5N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O,"InChI=1/C30H24N4O7S2.Na/c1-18-7-11-22(12-8-18)42(37,38)27-16-21(32-30(36)19-5-3-2-4-6-19)10-14-25(27)33-34-29-24(31)13-9-20-15-23(43(39,40)41)17-26(35)28(20)29;/h2-17,35H,31H2,1H3,(H,32,36)(H,39,40,41);/q;+1/p-1",C30H24N4O7S2.Na,,,,,,TZABVZRSBDQKLE-UHFFFAOYSA-M,,,,,,,,,,,
100.080.043,288-077-9,85650-68-6,"Tetraammonium benzene-1,2,4,5-tetracarboxylate","tetraammonium benzene-1,2,4,5-tetracarboxylate",[NH4+].[NH4+].[NH4+].[NH4+].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-],[NH4+].[NH4+].[NH4+].[NH4+].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-],"InChI=1/C10H6O8.4H3N/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3",C10H6O8.4H3N,,,,,,FCRPMISQNGXHQA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.057,288-093-6,85650-83-5,Methyl(1-methylpropyl)naphthalene,2-sec-butyl-1-methylnaphthalene,CCC(C)c1ccc2ccccc2c1C,CCC(C)c1ccc2ccccc2c1C,"InChI=1/C15H18/c1-4-11(2)14-10-9-13-7-5-6-8-15(13)12(14)3/h5-11H,4H2,1-3H3",C15H18,,,,,,KOXSKIJEWSIZFD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.058,288-094-1,85650-84-6,Methylbis(1-methylpropyl)naphthalene,"2,3-di-sec-butyl-1-methylnaphthalene",CCC(C)c1cc2ccccc2c(C)c1C(C)CC,CCC(C)c1cc2ccccc2c(C)c1C(C)CC,"InChI=1/C19H26/c1-6-13(3)18-12-16-10-8-9-11-17(16)15(5)19(18)14(4)7-2/h8-14H,6-7H2,1-5H3",C19H26,,,,,,RPYDFDUKAPXAME-UHFFFAOYSA-N,,,,,,,,,,,
100.083.619,292-016-1,90529-81-0,"Propanoic acid, zinc salt, basic",-,[Zn+2].CCC(=O)[O-],[Zn+2].CCC(=O)[O-],"InChI=1/C3H6O2.Zn/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+2/p-1",-,,,,,,QRWYBIHNBPOTQV-UHFFFAOYSA-M,,,,,,,,,,,
100.080.077,288-114-9,85661-31-0,Bis(3-methoxypropyl) adipate,bis(3-methoxypropyl) adipate,COCCCOC(=O)CCCCC(=O)OCCCOC,COCCCOC(=O)CCCCC(=O)OCCCOC,"InChI=1/C14H26O6/c1-17-9-5-11-19-13(15)7-3-4-8-14(16)20-12-6-10-18-2/h3-12H2,1-2H3",C14H26O6,,,,,,SJQDRHYTRQQLHY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.101,288-141-6,85665-52-7,Ammonium [4-(tert-butyl)phenyl] [4-(tert-pentyl)phenyl] phosphate,"ammonium 4-tert-butylphenyl 4-(1,1-dimethylpropyl)phenyl phosphate",[NH4+].CC(C)(C)c2ccc(OP([O-])(=O)Oc1ccc(cc1)C(C)(C)CC)cc2,[NH4+].CC(C)(C)c2ccc(OP([O-])(=O)Oc1ccc(cc1)C(C)(C)CC)cc2,"InChI=1/C21H29O4P.H3N/c1-7-21(5,6)17-10-14-19(15-11-17)25-26(22,23)24-18-12-8-16(9-13-18)20(2,3)4;/h8-15H,7H2,1-6H3,(H,22,23);1H3",C21H29O4P.H3N,,,,,,XXQVAIZNXFCTMK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.106,288-146-3,85665-57-2,"2,4-dichloro-6-(tetradecyloxy)-1,3,5-triazine","2,4-dichloro-6-(tetradecyloxy)-1,3,5-triazine",CCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1,CCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1,"InChI=1/C17H29Cl2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-17-21-15(18)20-16(19)22-17/h2-14H2,1H3",C17H29Cl2N3O,,,,,,ADPXJENOKRHJCX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.109,288-150-5,85665-60-7,"3-(1,1-dimethylethyl)-5-(hydroxymethyl)oxazolidin-2-one","3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one",CC(C)(C)N1CC(CO)OC1=O,CC(C)(C)N1CC(CO)OC1=O,"InChI=1/C8H15NO3/c1-8(2,3)9-4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3",C8H15NO3,,,,,,SSMIUHOOMMVZNL-UHFFFAOYSA-N,,,,,,,,,,,
100.097.005,306-756-0,97403-93-5,"2-(1,1-dimethyl-2-phenylethyl)-4,7-dihydro-1,3-dioxepin","2-(1,1-dimethyl-2-phenylethyl)-4,7-dihydro-1,3-dioxepine",CC(C)(Cc1ccccc1)C2OCC=CCO2,CC(C)(Cc1ccccc1)C2OCC=CCO2,"InChI=1/C15H20O2/c1-15(2,12-13-8-4-3-5-9-13)14-16-10-6-7-11-17-14/h3-9,14H,10-12H2,1-2H3",C15H20O2,,,,,,JLJASZYKQUSLEF-UHFFFAOYSA-N,,,,,,,,,,,
100.097.022,306-774-9,97404-11-0,Ammonium 3-hydroxy-5-methylbenzenesulphonate,ammonium 3-hydroxy-5-methylbenzenesulfonate,[NH4+].Cc1cc(O)cc(c1)S(=O)(=O)[O-],[NH4+].Cc1cc(O)cc(c1)S(=O)(=O)[O-],"InChI=1/C7H8O4S.H3N/c1-5-2-6(8)4-7(3-5)12(9,10)11;/h2-4,8H,1H3,(H,9,10,11);1H3",C7H8O4S.H3N,,,,,,MEEPLHRCZWVNGD-UHFFFAOYSA-N,,,,,,,,,,,
100.097.023,306-775-4,97404-12-1,"4-[[2,4-diamino-5-[(3-sulphophenyl)azo]phenyl]azo]-2-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonic acid","4-({2,4-diamino-5-[(3-sulfophenyl)diazenyl]phenyl}diazenyl)-2-({2,6-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)benzenesulfonic acid",Oc4c(ccc(O)c4N=Nc3cc(N=Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)c(N)cc2N)ccc3S(O)(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O,Oc4c(ccc(O)c4N=Nc3cc(N=Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)c(N)cc2N)ccc3S(O)(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O,"InChI=1/C30H23N11O10S2/c31-21-14-22(32)25(15-24(21)37-34-17-2-1-3-20(12-17)52(46,47)48)38-35-18-6-11-28(53(49,50)51)26(13-18)39-40-29-27(42)10-9-23(30(29)43)36-33-16-4-7-19(8-5-16)41(44)45/h1-15,42-43H,31-32H2,(H,46,47,48)(H,49,50,51)",C30H23N11O10S2,,,,,,BVNFWSKRSMCPPK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.294,304-871-0,94291-47-1,9-methyl-7-(1-methylethylidene)-2-oxabicyclo[3.3.1]nonane,7-isopropylidene-9-methyl-2-oxabicyclo[3.3.1]nonane,CC1C2CCOC1CC(=C(C)C)C2,CC1C2CCOC1CC(=C(C)C)C2,"InChI=1/C12H20O/c1-8(2)11-6-10-4-5-13-12(7-11)9(10)3/h9-10,12H,4-7H2,1-3H3",C12H20O,,,,,,TUXXEIDBPWUQHY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.306,304-884-1,94291-59-5,6-ethyl-1-methoxydecan-5-one,6-ethyl-1-methoxydecan-5-one,CCCCC(CC)C(=O)CCCCOC,CCCCC(CC)C(=O)CCCCOC,"InChI=1/C13H26O2/c1-4-6-9-12(5-2)13(14)10-7-8-11-15-3/h12H,4-11H2,1-3H3",C13H26O2,,,,,,ZTUMCFAGXFVEDD-UHFFFAOYSA-N,,,,,,,,,,,
100.097.027,306-780-1,97404-17-6,"3,8-dichloro-5,10-bis[(3-chlorophenyl)amino]pyrene-1,6-dione","3,8-dichloro-5,10-bis[(3-chlorophenyl)amino]pyrene-1,6-dione",ClC1=CC(=O)c2c(Nc3cccc(Cl)c3)cc4C(=CC(=O)c5c(Nc6cccc(Cl)c6)cc1c2c45)Cl,ClC1=CC(=O)c2c(Nc3cccc(Cl)c3)cc4C(=CC(=O)c5c(Nc6cccc(Cl)c6)cc1c2c45)Cl,"InChI=1/C28H14Cl4N2O2/c29-13-3-1-5-15(7-13)33-21-9-17-19(31)12-24(36)28-22(34-16-6-2-4-14(30)8-16)10-18-20(32)11-23(35)27(21)25(18)26(17)28/h1-12,33-34H",C28H14Cl4N2O2,,,,,,WTZQBZUVIDGHKE-UHFFFAOYSA-N,,,,,,,,,,,
100.097.029,306-782-2,97404-19-8,"3,13-dichloro-2-ethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione","3,13-dichloro-2-ethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione",CCOc1cc2nc3c4ccc5c6nc7cc(Cl)ccc7n6C(=O)c8ccc(C(=O)n3c2cc1Cl)c4c58,CCOc1cc2nc3c4ccc5c6nc7cc(Cl)ccc7n6C(=O)c8ccc(C(=O)n3c2cc1Cl)c4c58,"InChI=1/C28H14Cl2N4O3/c1-2-37-22-11-19-21(10-17(22)30)34-26(32-19)14-5-4-13-23-15(6-7-16(24(14)23)28(34)36)27(35)33-20-8-3-12(29)9-18(20)31-25(13)33/h3-11H,2H2,1H3",C28H14Cl2N4O3,,,,,,ZURDLFKEZAKWSC-UHFFFAOYSA-N,,,,,,,,,,,
100.097.065,306-822-9,97416-75-6,"2,3-dimethyl-3-phenylpropionaldehyde",2-methyl-3-phenylbutanal,CC(C=O)C(C)c1ccccc1,CC(C=O)C(C)c1ccccc1,"InChI=1/C11H14O/c1-9(8-12)10(2)11-6-4-3-5-7-11/h3-10H,1-2H3",C11H14O,,,,,,SMEMYAIGCRAVQX-UHFFFAOYSA-N,,,,,,,,,,,
100.098.819,308-760-8,98246-87-8,"2-Oxetanone, 3-C14-16-alkyl 4-C15-17-alkylidene derivs.",4-hexadecylidene-3-pentadecyloxetan-2-one,CCCCCCCCCCCCCCC\\C=C\\1/OC(=O)C1CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCC\C=C\1/OC(=O)C1CCCCCCCCCCCCCCC,"InChI=1/C34H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32(34(35)36-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3",-,,,,,,AAAIOLZUQZJCPR-FPODKLOTSA-N,,,,,,,,,,,
100.098.838,308-781-2,98493-37-9,"(6R-trans)-7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrochloride","7-amino-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride",Cl.Cc1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O)s1,Cl.Cc1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O)s1,"InChI=1/C11H12N4O3S3.ClH/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18;/h6,9H,2-3,12H2,1H3,(H,17,18);1H",C11H12N4O3S3.ClH,,,,,,QCGMGZYJJDBFCC-YDYUUSCQSA-N,,,,,,,,,,,
100.098.846,308-790-1,98510-81-7,"Methyl 16,17-didehydro-19a-methyloxayohimban-16-carboxylate, compound with 5-oxo-L-proline (1:1)","5-oxo-L-proline - methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate (1:1)",COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12.OC(=O)[C@@H]6CCC(=O)N6,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12.OC(=O)[C@@H]6CCC(=O)N6,"InChI=1/C21H24N2O3.C5H7NO3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;7-4-2-1-3(6-4)5(8)9/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)",C21H24N2O3.C5H7NO3,,,,,,AIKWEAJZOJUNMB-OFDNHZRLSA-N,,,,,,,,,,,
100.095.318,304-897-2,94291-71-1,Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate,phenyl 1-prop-2-yn-1-ylcyclohexyl carbonate,O=C(Oc1ccccc1)OC2(CC#C)CCCCC2,O=C(Oc1ccccc1)OC2(CC#C)CCCCC2,"InChI=1/C16H18O3/c1-2-11-16(12-7-4-8-13-16)19-15(17)18-14-9-5-3-6-10-14/h1,3,5-6,9-10H,4,7-8,11-13H2",C16H18O3,,,,,,BNKFCCNRTVWDBP-UHFFFAOYSA-N,,,,,,,,,,,
100.099.043,309-007-6,99670-33-4,"N-[14-methyl-3,6,9,12-tetrakis(2-methylallyl)-3,6,9,12-tetraazapentadec-14-en-1-yl]octanamide","N-[14-methyl-3,6,9,12-tetrakis(2-methylprop-2-en-1-yl)-3,6,9,12-tetraazapentadec-14-en-1-yl]octanamide",CCCCCCCC(=O)NCCN(CCN(CCN(CCN(CC(=C)C)CC(=C)C)CC(=C)C)CC(=C)C)CC(=C)C,CCCCCCCC(=O)NCCN(CCN(CCN(CCN(CC(=C)C)CC(=C)C)CC(=C)C)CC(=C)C)CC(=C)C,"InChI=1/C36H67N5O/c1-12-13-14-15-16-17-36(42)37-18-19-38(26-31(2)3)20-21-39(27-32(4)5)22-23-40(28-33(6)7)24-25-41(29-34(8)9)30-35(10)11/h2,4,6,8,10,12-30H2,1,3,5,7,9,11H3,(H,37,42)",C36H67N5O,,,,,,WAKUGLRZLBUONI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.835,306-569-4,97337-76-3,"1-benzyl-4,5-dihydro-1-[2-[(1-oxododecyl)amino]ethyl]-2-undecyl-1H-imidazolium chloride","1-benzyl-1-[2-(dodecanoylamino)ethyl]-2-undecyl-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCCCCCCCCC(=O)NCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCC,[Cl-].CCCCCCCCCCCC(=O)NCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCC,"InChI=1/C35H61N3O.ClH/c1-3-5-7-9-11-13-15-17-22-26-34-36-28-30-38(34,32-33-24-20-19-21-25-33)31-29-37-35(39)27-23-18-16-14-12-10-8-6-4-2;/h19-21,24-25H,3-18,22-23,26-32H2,1-2H3;1H",C35H62N3O.Cl,,,,,,WHTGXHONEOIAIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.838,306-573-6,97337-79-6,"1-benzyl-4,5-dihydro-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium chloride","1-benzyl-1-[3-(dodecanoylamino)propyl]-2-undecyl-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCCCCCCCCC(=O)NCCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCC,[Cl-].CCCCCCCCCCCC(=O)NCCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCC,"InChI=1/C36H63N3O.ClH/c1-3-5-7-9-11-13-15-17-22-27-35-37-30-32-39(35,33-34-25-20-19-21-26-34)31-24-29-38-36(40)28-23-18-16-14-12-10-8-6-4-2;/h19-21,25-26H,3-18,22-24,27-33H2,1-2H3;1H",C36H64N3O.Cl,,,,,,BYQZAVIIAGXXFY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.839,306-574-1,97337-80-9,"1-benzyl-4,5-dihydro-1-[3-[(1-oxotetradecyl)amino]propyl]-2-tridecyl-1H-imidazolium chloride","1-benzyl-1-[3-(tetradecanoylamino)propyl]-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCCCC,"InChI=1/C40H71N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-26-31-39-41-34-36-43(39,37-38-29-24-23-25-30-38)35-28-33-42-40(44)32-27-22-20-18-16-14-12-10-8-6-4-2;/h23-25,29-30H,3-22,26-28,31-37H2,1-2H3;1H",C40H72N3O.Cl,,,,,,UXEQJLXXCVSCDD-UHFFFAOYSA-N,,,,,,,,,,,
100.096.851,306-587-2,97337-92-3,"N-[3-[[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]carbonyl]phenyl]-N2-(2-methylpropionyl)-N2-octadecyl-DL-asparagine","N~2~-isobutyryl-N~2~-octadecyl-N-(3-{[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]carbamoyl}phenyl)-L-asparagine",CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)C(=O)O)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1cccc(c1)C(=O)NC2=NN(C(=O)C2)c3c(Cl)cc(Cl)cc3Cl)C(=O)O)C(=O)C(C)C,"InChI=1/C42H58Cl3N5O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-49(41(54)29(2)3)35(42(55)56)27-37(51)46-32-22-20-21-30(24-32)40(53)47-36-28-38(52)50(48-36)39-33(44)25-31(43)26-34(39)45/h20-22,24-26,29,35H,4-19,23,27-28H2,1-3H3,(H,46,51)(H,55,56)(H,47,48,53)",C42H58Cl3N5O6,,,,,,AMBHRCZUHVVLOU-DHUJRADRSA-N,,,,,,,,,,,
100.096.852,306-588-8,97337-94-5,Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate,"2-(oleoyloxy)-N,N-bis[2-(oleoyloxy)ethyl]ethanaminium acetate",[O-]C(C)=O.CCCCCCCCC=CCCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCCC=CCCCCCCCC)CCOC(=O)CCCCCCCC=CCCCCCCCC,[O-]C(C)=O.CCCCCCCCC=CCCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCCC=CCCCCCCCC)CCOC(=O)CCCCCCCC=CCCCCCCCC,"InChI=1/C60H111NO6.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h25-30H,4-24,31-57H2,1-3H3;1H3,(H,3,4)",C60H111NO6.C2H4O2,,,,,,DJCHKVHHWCAHEH-UHFFFAOYSA-N,,,,,,,,,,,
100.096.859,306-596-1,97338-01-7,"(Z)-4-[3-bromo-1-(4-bromophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl",4-[3-bromo-1-(4-bromophenyl)prop-1-en-1-yl]-4'-chlorobiphenyl,Clc1ccc(cc1)c2ccc(cc2)\\C(=C\\CBr)\\c3ccc(Br)cc3,Clc1ccc(cc1)c2ccc(cc2)\C(=C\CBr)\c3ccc(Br)cc3,"InChI=1/C21H15Br2Cl/c22-14-13-21(18-5-9-19(23)10-6-18)17-3-1-15(2-4-17)16-7-11-20(24)12-8-16/h1-13H,14H2",C21H15Br2Cl,,,,,,VWVOZAJMMXTKPT-BKUYFWCQSA-N,,,,,,,,,,,
100.096.871,306-609-0,97338-16-4,"[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydrogen sulphate","N-(4-{(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydrogen sulfate",CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl.[O-]S(=O)(=O)[O-],CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl.[O-]S(=O)(=O)[O-],"InChI=1/C23H24ClN2.H2O4S/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;1-5(2,3)4/h5-16H,1-4H3;(H2,1,2,3,4)/q+1;/p-2",C23H24ClN2.HO4S,,,,,,PYRPWDKDUBWUHI-UHFFFAOYSA-L,,,,,,,,,,,
100.096.872,306-610-6,97338-17-5,"5-oxo-L-proline, compound with 2,2'-iminodiethanol (1:1)","5-oxo-L-proline - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)[C@@H]1CCC(=O)N1,OCCNCCO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C4H11NO2/c7-4-2-1-3(6-4)5(8)9;6-3-1-5-2-4-7/h3H,1-2H2,(H,6,7)(H,8,9);5-7H,1-4H2",C5H7NO3.C4H11NO2,,,,,,YMQMGKYFMSBEMW-DFWYDOINSA-N,,,,,,,,,,,
100.098.309,308-192-0,97890-12-5,"3,7-dimethyloct-6-en-6-yl formate",1-isopropylidene-4-methylhexyl formate,CCC(C)CCC(=C(C)C)OC=O,CCC(C)CCC(=C(C)C)OC=O,"InChI=1/C11H20O2/c1-5-10(4)6-7-11(9(2)3)13-8-12/h8,10H,5-7H2,1-4H3",C11H20O2,,,,,,JTSDMCBOJCCPKJ-UHFFFAOYSA-N,,,,,,,,,,,
100.098.310,308-193-6,97890-13-6,2-methylbutyl 3-methylbutenoate,2-methylbutyl 3-methylbut-2-enoate,CCC(C)COC(=O)C=C(C)C,CCC(C)COC(=O)C=C(C)C,"InChI=1/C10H18O2/c1-5-9(4)7-12-10(11)6-8(2)3/h6,9H,5,7H2,1-4H3",C10H18O2,,,,,,CEVOEEDUEYZGMY-UHFFFAOYSA-N,,,,,,,,,,,
100.098.312,308-195-7,97890-15-8,"2,2'-isopropylidenebis[4,6-dibromophenol]","2,2'-propane-2,2-diylbis(4,6-dibromophenol)",CC(C)(c1cc(Br)cc(Br)c1O)c2cc(Br)cc(Br)c2O,CC(C)(c1cc(Br)cc(Br)c1O)c2cc(Br)cc(Br)c2O,"InChI=1/C15H12Br4O2/c1-15(2,9-3-7(16)5-11(18)13(9)20)10-4-8(17)6-12(19)14(10)21/h3-6,20-21H,1-2H3",C15H12Br4O2,,,,,,IKFALGJPNJYZFW-UHFFFAOYSA-N,,,,,,,,,,,
100.098.314,308-197-8,97890-17-0,"Bis(2,3-epoxypropyl) 3,4,5,6-tetrachlorophthalate","bis(oxiran-2-ylmethyl) 3,4,5,6-tetrachlorophthalate",Clc1c(Cl)c(Cl)c(C(=O)OCC2CO2)c(C(=O)OCC3CO3)c1Cl,Clc1c(Cl)c(Cl)c(C(=O)OCC2CO2)c(C(=O)OCC3CO3)c1Cl,"InChI=1/C14H10Cl4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6H,1-4H2",C14H10Cl4O6,,,,,,QSDWFFRGNSHCEP-UHFFFAOYSA-N,,,,,,,,,,,
100.098.318,308-201-8,97907-57-8,"Calcium 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diolate 3,9-dioxide","calcium 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diolate 3,9-dioxide",[Ca+2].[O-]P1(=O)OCC2(COP(=O)([O-])OC2)CO1,[Ca+2].[O-]P1(=O)OCC2(COP(=O)([O-])OC2)CO1,"InChI=1/C5H10O8P2.Ca/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5;/h1-4H2,(H,6,7)(H,8,9);/q;+2/p-2",C5H10O8P2.Ca,,,,,,FEQGOXKTODKUPF-UHFFFAOYSA-L,,,,,,,,,,,
100.098.319,308-202-3,97925-90-1,Dipotassium 6-amino-4-hydroxy-5-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate,dipotassium 6-amino-4-hydroxy-5-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate,[K+].[K+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,[K+].[K+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O,"InChI=1/C18H17N3O10S3.2K/c19-15-5-4-11-8-14(33(25,26)27)10-16(22)17(11)18(15)21-20-12-2-1-3-13(9-12)32(23,24)7-6-31-34(28,29)30;;/h1-5,8-10,22H,6-7,19H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",C18H17N3O10S3.2K,,,,,,MKGCWKNMAFCOPW-UHFFFAOYSA-L,,,,,,,,,,,
100.094.602,304-109-7,94237-10-2,[silanetetrayltetrakis(oxycyclohexylidene)]tetrakis[phenylmethanone],tetrakis(1-benzoylcyclohexyl) orthosilicate,O=C(c1ccccc1)C2(CCCCC2)O[Si](OC3(CCCCC3)C(=O)c4ccccc4)(OC5(CCCCC5)C(=O)c6ccccc6)OC7(CCCCC7)C(=O)c8ccccc8,O=C(c1ccccc1)C2(CCCCC2)O[Si](OC3(CCCCC3)C(=O)c4ccccc4)(OC5(CCCCC5)C(=O)c6ccccc6)OC7(CCCCC7)C(=O)c8ccccc8,"InChI=1/C52H60O8Si/c53-45(41-25-9-1-10-26-41)49(33-17-5-18-34-49)57-61(58-50(35-19-6-20-36-50)46(54)42-27-11-2-12-28-42,59-51(37-21-7-22-38-51)47(55)43-29-13-3-14-30-43)60-52(39-23-8-24-40-52)48(56)44-31-15-4-16-32-44/h1-4,9-16,25-32H,5-8,17-24,33-40H2",C52H60O8Si,,,,,,BRJVGTLSPCNXLK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.603,304-110-2,94237-11-3,"2-[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy]methyl]-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate","3-(acryloyloxy)-2-[(acryloyloxy)methyl]-2-({[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy}methyl)propyl acrylate (non-preferred name)",C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C24H27F13O7Si/c1-6-15(38)41-11-18(12-42-16(39)7-2,13-43-17(40)8-3)14-44-45(4,5)10-9-19(25,26)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37/h6-8H,1-3,9-14H2,4-5H3",C24H27F13O7Si,,,,,,CPXPPNIUDAIOKT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.606,304-113-9,94237-14-6,1-[1-methyl-2-(4-nonylphenoxy)ethoxy]propan-2-ol,1-[1-methyl-2-(4-nonylphenoxy)ethoxy]propan-2-ol,CCCCCCCCCc1ccc(OCC(C)OCC(C)O)cc1,CCCCCCCCCc1ccc(OCC(C)OCC(C)O)cc1,"InChI=1/C21H36O3/c1-4-5-6-7-8-9-10-11-20-12-14-21(15-13-20)24-17-19(3)23-16-18(2)22/h12-15,18-19,22H,4-11,16-17H2,1-3H3",C21H36O3,,,,,,OSSSJNFUQDBTJO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.612,304-120-7,94237-20-4,"Ammonium phenoxybenzenesulphonate, monododecyl derivative",-,[NH4+].CCCCCCCCCCCCOS(=O)(=O)c1ccccc1Oc2ccccc2,[NH4+].CCCCCCCCCCCCOS(=O)(=O)c1ccccc1Oc2ccccc2,"InChI=1/C24H34O4S.H3N/c1-2-3-4-5-6-7-8-9-10-16-21-27-29(25,26)24-20-15-14-19-23(24)28-22-17-12-11-13-18-22;/h11-15,17-20H,2-10,16,21H2,1H3;1H3/p+1",C24H34O4S.H3N,,,,,,WNALLXNBRWOGSI-UHFFFAOYSA-O,,,,,,,,,,,
100.094.620,304-129-6,94237-33-9,"(11ß,16ß)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylaminoacetate hydrochloride","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylglycinate hydrochloride",Cl.CCN(CC)CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,Cl.CCN(CC)CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1/C28H40FNO6.ClH/c1-6-30(7-2)15-24(34)36-16-23(33)28(35)17(3)12-21-20-9-8-18-13-19(31)10-11-25(18,4)27(20,29)22(32)14-26(21,28)5;/h10-11,13,17,20-22,32,35H,6-9,12,14-16H2,1-5H3;1H",C28H40FNO6.ClH,,,,,,CBMIUTGJPQBPAV-OZJKAIRQSA-N,,,,,,,,,,,
100.096.600,306-311-0,96846-75-2,"1,1,5-trimethylheptyl butyrate","1,1,5-trimethylheptyl butyrate",CCCC(=O)OC(C)(C)CCCC(C)CC,CCCC(=O)OC(C)(C)CCCC(C)CC,"InChI=1/C14H28O2/c1-6-9-13(15)16-14(4,5)11-8-10-12(3)7-2/h12H,6-11H2,1-5H3",C14H28O2,,,,,,XXNUYFMLMIVIND-UHFFFAOYSA-N,,,,,,,,,,,
100.080.112,288-153-1,85665-63-0,"3-methoxybutyl (Z,Z)-12,12-dibutyl-3-methyl-7,10,14-trioxo-2,6,11,13-tetraoxa-12-stannaheptadeca-8,15-dien-17-oate","3-methoxybutyl 12,12-dibutyl-3-methyl-7,10,14-trioxo-2,6,11,13-tetraoxa-12-stannaheptadeca-8,15-dien-17-oate",CCCC[Sn](CCCC)(OC(=O)\\C=C/C(=O)OCCC(C)OC)OC(=O)\\C=C/C(=O)OCCC(C)OC,CCCC[Sn](CCCC)(OC(=O)\C=C/C(=O)OCCC(C)OC)OC(=O)\C=C/C(=O)OCCC(C)OC,"InChI=1/2C9H14O5.2C4H9.Sn/c2*1-7(13-2)5-6-14-9(12)4-3-8(10)11;2*1-3-4-2;/h2*3-4,7H,5-6H2,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H44O10Sn/c1-7-9-19-37(20-10-8-2,35-25(29)13-11-23(27)33-17-15-21(3)31-5)36-26(30)14-12-24(28)34-18-16-22(4)32-6/h11-14,21-22H,7-10,15-20H2,1-6H3",C26H44O10Sn,,,,,,GUTCPQVLAHNWCI-VGKOASNMSA-L,,,,,,,,,,,
100.080.114,288-155-2,85665-65-2,Sodium 3-[[3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]methylamino]propanesulphonate,sodium 3-[(3-{[(heptadecafluorooctyl)sulfonyl]amino}propyl)(methyl)amino]propane-1-sulfonate,[Na+].CN(CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS(=O)(=O)[O-],[Na+].CN(CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS(=O)(=O)[O-],"InChI=1/C15H17F17N2O5S2.Na/c1-34(6-3-7-40(35,36)37)5-2-4-33-41(38,39)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30;/h33H,2-7H2,1H3,(H,35,36,37);/q;+1/p-1",C15H17F17N2O5S2.Na,,,,,,ZSPDCPUQRAQJLX-UHFFFAOYSA-M,,,,,,,,,,,
100.083.378,291-751-5,90474-13-8,"Diethyl 1,2-cyclopentanedicarboxylate","diethyl cyclopentane-1,2-dicarboxylate",CCOC(=O)C1CCCC1C(=O)OCC,CCOC(=O)C1CCCC1C(=O)OCC,"InChI=1/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3",C11H18O4,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12154,https://echa.europa.eu/substance-information/-/substanceinfo/100.083.378,YLRALQSVMCXBSD-UHFFFAOYSA-N,,,,,,,,,,,
100.080.122,288-164-1,85665-73-2,3-[bis(diethylamino)methylsilyl]propyl methacrylate,3-[bis(diethylamino)(methyl)silyl]propyl methacrylate,CCN(CC)[Si](C)(CCCOC(=O)C(=C)C)N(CC)CC,CCN(CC)[Si](C)(CCCOC(=O)C(=C)C)N(CC)CC,"InChI=1/C16H34N2O2Si/c1-8-17(9-2)21(7,18(10-3)11-4)14-12-13-20-16(19)15(5)6/h5,8-14H2,1-4,6-7H3",C16H34N2O2Si,,,,,,KNVCUDPFWWCKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.883,287-901-4,85605-01-2,"N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-4-(2-methoxyethoxy)-5-[(1-methylpropyl)amino]phenyl]acetamide","N-[5-(sec-butylamino)-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)phenyl]acetamide",Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NC(C)CC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,Clc2cc(cc(c2N=Nc1cc(OCCOC)c(NC(C)CC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C21H25ClN6O7/c1-5-12(2)23-18-10-16(24-13(3)29)17(11-20(18)35-7-6-34-4)25-26-21-15(22)8-14(27(30)31)9-19(21)28(32)33/h8-12,23H,5-7H2,1-4H3,(H,24,29)",C21H25ClN6O7,,,,,,LKGQHTNNXWRKPS-UHFFFAOYSA-N,,,,,,,,,,,
100.079.892,287-911-9,85614-27-3,Aluminium tris(diisopropylnaphthalenesulphonate),"aluminum tris(2,3-diisopropylnaphthalene-1-sulfonate)",[Al+3].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-].CC(C)c3cc4ccccc4c(c3C(C)C)S(=O)(=O)[O-].CC(C)c5cc6ccccc6c(c5C(C)C)S(=O)(=O)[O-],[Al+3].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-].CC(C)c3cc4ccccc4c(c3C(C)C)S(=O)(=O)[O-].CC(C)c5cc6ccccc6c(c5C(C)C)S(=O)(=O)[O-],"InChI=1/3C16H20O3S.Al/c3*1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h3*5-11H,1-4H3,(H,17,18,19);/q;;;+3/p-3",C16H20O3S.1/3Al,,,,,,SUXNWUSPWOLROR-UHFFFAOYSA-K,,,,,,,,,,,
100.080.377,288-445-9,85727-04-4,"1,3-dioxan-5-yl 3-pyridyl ketone","1,3-dioxan-5-yl(pyridin-3-yl)methanone",O=C(C1COCOC1)c2cccnc2,O=C(C1COCOC1)c2cccnc2,"InChI=1/C10H11NO3/c12-10(8-2-1-3-11-4-8)9-5-13-7-14-6-9/h1-4,9H,5-7H2",C10H11NO3,,,,,,AXYFGZWOQMDXSW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.903,287-923-4,85614-38-6,"Trisodium hydrogen 4-[[4-[[4-[(4-sulphonatophenyl)amino]phenyl][4-[(4-sulphonatophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenedisulphonate","trisodium hydrogen 4-{[4-({4-[(4-sulfonatophenyl)amino]phenyl}{4-[(4-sulfonatophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methyl)phenyl]amino}benzene-1,2-disulfonate",[H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2ccc(cc2)C(c4ccc(Nc3ccc(c(c3)S([O-])(=O)=O)S([O-])(=O)=O)cc4)=C\\5/C=C\\C(/C=C/5)=N\\c6ccc(cc6)S([O-])(=O)=O,[H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2ccc(cc2)C(c4ccc(Nc3ccc(c(c3)S([O-])(=O)=O)S([O-])(=O)=O)cc4)=C\5/C=C\C(/C=C/5)=N\c6ccc(cc6)S([O-])(=O)=O,"InChI=1/C37H29N3O12S4.3Na.H2/c41-53(42,43)33-18-13-30(14-19-33)38-27-7-1-24(2-8-27)37(25-3-9-28(10-4-25)39-31-15-20-34(21-16-31)54(44,45)46)26-5-11-29(12-6-26)40-32-17-22-35(55(47,48)49)36(23-32)56(50,51)52;;;;/h1-23,38,40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;1H/q;4*+1/p-4",C37H29N3O12S4.3Na,,,,,,BUDVUVXNJNGVEF-UHFFFAOYSA-K,,,,,,,,,,,
100.079.907,287-928-1,85614-42-2,"Butyl 4,4-dimethyl-3-oxovalerate","butyl 4,4-dimethyl-3-oxopentanoate",CCCCOC(=O)CC(=O)C(C)(C)C,CCCCOC(=O)CC(=O)C(C)(C)C,"InChI=1/C11H20O3/c1-5-6-7-14-10(13)8-9(12)11(2,3)4/h5-8H2,1-4H3",C11H20O3,,,,,,ZSQISGIWXTVFEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.911,287-932-3,85614-46-6,Pyrrolidine-1-butyryl chloride hydrochloride,4-pyrrolidin-1-ylbutanoyl chloride hydrochloride,Cl.ClC(=O)CCCN1CCCC1,Cl.ClC(=O)CCCN1CCCC1,InChI=1/C8H14ClNO.ClH/c9-8(11)4-3-7-10-5-1-2-6-10;/h1-7H2;1H,C8H14ClNO.ClH,,,,,,WLENWSWMXQHHHP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.916,287-938-6,85614-51-3,2-(dimethylamino)-2-phenylbutyric acid,2-(dimethylamino)-2-phenylbutanoic acid,CCC(N(C)C)(C(=O)O)c1ccccc1,CCC(N(C)C)(C(=O)O)c1ccccc1,"InChI=1/C12H17NO2/c1-4-12(11(14)15,13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)",C12H17NO2,,,,,,HORDSXJPSRJTJV-UHFFFAOYSA-N,,,,,,,,,,,
100.095.319,304-898-8,94291-72-2,3-methoxy-2-phenyl-1H-indol-4-ol,3-methoxy-2-phenyl-1H-indol-4-ol,COc1c([nH]c2cccc(O)c12)c3ccccc3,COc1c([nH]c2cccc(O)c12)c3ccccc3,"InChI=1/C15H13NO2/c1-18-15-13-11(8-5-9-12(13)17)16-14(15)10-6-3-2-4-7-10/h2-9,16-17H,1H3",C15H13NO2,,,,,,KJNSQJSTGMKZQA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.320,304-899-3,94291-73-3,N-ethyl-N-(m-tolyl)methylenediamine,N-ethyl-N-(3-methylphenyl)methanediamine,CCN(CN)c1cccc(C)c1,CCN(CN)c1cccc(C)c1,"InChI=1/C10H16N2/c1-3-12(8-11)10-6-4-5-9(2)7-10/h4-7H,3,8,11H2,1-2H3",C10H16N2,,,,,,MIMRHZQSUDZEDL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.321,304-900-7,94291-74-4,5-amino-2-[[(3-carboxy-4-chlorophenyl)amino]sulphonyl]benzoic acid,5-amino-2-[(3-carboxy-4-chlorophenyl)sulfamoyl]benzoic acid,Nc1ccc(c(c1)C(=O)O)S(=O)(=O)Nc2ccc(Cl)c(c2)C(=O)O,Nc1ccc(c(c1)C(=O)O)S(=O)(=O)Nc2ccc(Cl)c(c2)C(=O)O,"InChI=1/C14H11ClN2O6S/c15-11-3-2-8(6-9(11)13(18)19)17-24(22,23)12-4-1-7(16)5-10(12)14(20)21/h1-6,17H,16H2,(H,18,19)(H,20,21)",C14H11ClN2O6S,,,,,,KDEWKZQOXQFHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.095.329,304-909-6,94291-82-4,(E)-2-propylhept-2-en-1-ol,2-propylhept-2-en-1-ol,CCCC\\C=C(\\CO)/CCC,CCCC\C=C(\CO)/CCC,"InChI=1/C10H20O/c1-3-5-6-8-10(9-11)7-4-2/h8,11H,3-7,9H2,1-2H3",C10H20O,,,,,,BUHGPTZACAIKST-CSKARUKUSA-N,,,,,,,,,,,
100.095.333,304-913-8,94291-86-8,"8-[(3,7-dimethyl-6-octenyl)oxy]-8-methoxy-2,6-dimethyloctan-2-ol","8-[(3,7-dimethyloct-6-en-1-yl)oxy]-8-methoxy-2,6-dimethyloctan-2-ol",COC(CC(C)CCCC(C)(C)O)OCCC(C)CCC=C(C)C,COC(CC(C)CCCC(C)(C)O)OCCC(C)CCC=C(C)C,"InChI=1/C21H42O3/c1-17(2)10-8-11-18(3)13-15-24-20(23-7)16-19(4)12-9-14-21(5,6)22/h10,18-20,22H,8-9,11-16H2,1-7H3",C21H42O3,,,,,,GKWDNHWDEWUFBB-UHFFFAOYSA-N,,,,,,,,,,,
100.097.088,306-848-0,97416-99-4,"2-ethyl-2-[[2-[(hydroxymethoxy)methyl]-2-(hydroxymethyl)butoxy]methyl]propane-1,3-diol","2-ethyl-2-({2-[(hydroxymethoxy)methyl]-2-(hydroxymethyl)butoxy}methyl)propane-1,3-diol",CCC(CO)(CO)COCC(CC)(CO)COCO,CCC(CO)(CO)COCC(CC)(CO)COCO,"InChI=1/C13H28O6/c1-3-12(5-14,6-15)8-18-9-13(4-2,7-16)10-19-11-17/h14-17H,3-11H2,1-2H3",C13H28O6,,,,,,PEEHVRSXZAMXJF-UHFFFAOYSA-N,,,,,,,,,,,
100.095.366,304-949-4,94293-57-9,S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate,S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate,CC1CCC(C(=O)C1)C(C)(C)SC(=O)C,CC1CCC(C(=O)C1)C(C)(C)SC(=O)C,"InChI=1/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3",C12H20O2S,,,,,,AMXPURQVAMENCC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.369,304-953-6,94313-54-9,Lithium 4-ethylhexanoate,lithium 4-ethylhexanoate,[Li+].CCC(CC)CCC(=O)[O-],[Li+].CCC(CC)CCC(=O)[O-],"InChI=1/C8H16O2.Li/c1-3-7(4-2)5-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",C8H16O2.Li,,,,,,XMSZNLYHBMXYJW-UHFFFAOYSA-M,,,,,,,,,,,
100.096.887,306-626-3,97358-51-5,"4,5-diamino-1,2-dihydro-3-oxopyrazole sulphate","4,5-diamino-1,2-dihydro-3H-pyrazol-3-one sulfate",NC1=C(N)C(=O)NN1.OS(=O)(=O)O,NC1=C(N)C(=O)NN1.OS(=O)(=O)O,"InChI=1/C3H6N4O.H2O4S/c4-1-2(5)6-7-3(1)8;1-5(2,3)4/h4H2,(H4,5,6,7,8);(H2,1,2,3,4)",C3H6N4O.H2O4S,,,,,,PQWHYMIYFPATGG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.890,306-630-5,97358-55-9,(Z)-1-(1-methoxypropoxy)hex-3-ene,1-(1-methoxypropoxy)hex-3-ene,CC\\C=C/CCOC(CC)OC,CC\C=C/CCOC(CC)OC,"InChI=1/C10H20O2/c1-4-6-7-8-9-12-10(5-2)11-3/h6-7,10H,4-5,8-9H2,1-3H3",C10H20O2,,,,,,LDUYDLGCMTVIIO-SREVYHEPSA-N,,,,,,,,,,,
100.096.920,306-663-5,97372-98-0,"N-[3-[3-[(4-chloro-2,5-dimethoxyphenyl)amino]-1,3-dioxopropyl]phenyl]-N2-(2-methylpropionyl)-N2-octadecyl-DL-asparagine","N-(3-{3-[(4-chloro-2,5-dimethoxyphenyl)amino]-3-oxopropanoyl}phenyl)-N~2~-isobutyryl-N~2~-octadecyl-L-asparagine",CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(OC)c(Cl)cc2OC)C(=O)O)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(OC)c(Cl)cc2OC)C(=O)O)C(=O)C(C)C,"InChI=1/C43H64ClN3O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-47(42(51)31(2)3)36(43(52)53)29-40(49)45-33-24-22-23-32(26-33)37(48)30-41(50)46-35-28-38(54-4)34(44)27-39(35)55-5/h22-24,26-28,31,36H,6-21,25,29-30H2,1-5H3,(H,45,49)(H,46,50)(H,52,53)",C43H64ClN3O8,,,,,,KILNESORACOZGN-BHVANESWSA-N,,,,,,,,,,,
100.096.924,306-667-7,97375-12-7,"Sodium 1-amino-4-[4-[[(2,3-dichloro-6-quinoxalinyl)sulphonyl]sulphamoyl]-2,6-dimethylphenyl]amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(4-{[(2,3-dichloroquinoxalin-6-yl)sulfonyl]sulfamoyl}-2,6-dimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1cc(cc(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)NS(=O)(=O)c5ccc6nc(Cl)c(Cl)nc6c5,[Na+].Cc1cc(cc(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)NS(=O)(=O)c5ccc6nc(Cl)c(Cl)nc6c5,"InChI=1/C30H21Cl2N5O9S3.Na/c1-13-9-16(48(42,43)37-47(40,41)15-7-8-19-20(11-15)36-30(32)29(31)35-19)10-14(2)26(13)34-21-12-22(49(44,45)46)25(33)24-23(21)27(38)17-5-3-4-6-18(17)28(24)39;/h3-12,34,37H,33H2,1-2H3,(H,44,45,46);/q;+1/p-1",C30H21Cl2N5O9S3.Na,,,,,,OQMVWDRWVIWFMQ-UHFFFAOYSA-M,,,,,,,,,,,
100.097.326,307-109-5,97552-56-2,2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium bromide,"2-({3-allyl-5-[2-(1-methylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium bromide",[Br-].CN6/C=C\\C(=CC=C4SC(=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC=C)C4=O)c5ccccc56,[Br-].CN6/C=C\C(=CC=C4SC(=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC=C)C4=O)c5ccccc56,"InChI=1/C34H30N3O2S.BrH/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;/h4,6-19,21-23H,1,5,20H2,2-3H3;1H/q+1;/p-1",C34H30N3O2S.Br,,,,,,DLYYPSYKXHVQKG-UHFFFAOYSA-M,,,,,,,,,,,
100.097.333,307-116-3,97552-63-1,"1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-[p-[(p-aminophenyl)methyl]anilino]propan-2-ol]","1,1'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(3-{[4-(4-aminobenzyl)phenyl]amino}propan-2-ol)",CC(C)(c1ccc(OCC(O)CNc2ccc(Cc3ccc(N)cc3)cc2)cc1)c4ccc(OCC(O)CNc5ccc(Cc6ccc(N)cc6)cc5)cc4,CC(C)(c1ccc(OCC(O)CNc2ccc(Cc3ccc(N)cc3)cc2)cc1)c4ccc(OCC(O)CNc5ccc(Cc6ccc(N)cc6)cc5)cc4,"InChI=1/C47H52N4O4/c1-47(2,37-11-23-45(24-12-37)54-31-43(52)29-50-41-19-7-35(8-20-41)27-33-3-15-39(48)16-4-33)38-13-25-46(26-14-38)55-32-44(53)30-51-42-21-9-36(10-22-42)28-34-5-17-40(49)18-6-34/h3-26,43-44,50-53H,27-32,48-49H2,1-2H3",C47H52N4O4,,,,,,JVBXZQJFONRBGP-UHFFFAOYSA-N,,,,,,,,,,,
100.097.337,307-121-0,97552-67-5,"1-methylethane-1,2-diyl bis(5-methylheptanoate)","propane-1,2-diyl bis(5-methylheptanoate)",CCC(C)CCCC(=O)OCC(C)OC(=O)CCCC(C)CC,CCC(C)CCCC(=O)OCC(C)OC(=O)CCCC(C)CC,"InChI=1/C19H36O4/c1-6-15(3)10-8-12-18(20)22-14-17(5)23-19(21)13-9-11-16(4)7-2/h15-17H,6-14H2,1-5H3",C19H36O4,,,,,,HUFZYWJLBSVRLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.338,307-122-6,97552-68-6,"2-(1-ethylpentyl)-1,3-dioxan-5-yl laurate","2-(1-ethylpentyl)-1,3-dioxan-5-yl laurate",CCCCCCCCCCCC(=O)OC1COC(OC1)C(CC)CCCC,CCCCCCCCCCCC(=O)OC1COC(OC1)C(CC)CCCC,"InChI=1/C23H44O4/c1-4-7-9-10-11-12-13-14-15-17-22(24)27-21-18-25-23(26-19-21)20(6-3)16-8-5-2/h20-21,23H,4-19H2,1-3H3",C23H44O4,,,,,,IKKWBFMGTZBQTC-UHFFFAOYSA-N,,,,,,,,,,,
100.097.339,307-123-1,97552-69-7,"[2-(1-ethylpentyl)-1,3-dioxolan-4-yl]methyl laurate","[2-(1-ethylpentyl)-1,3-dioxolan-4-yl]methyl laurate",CCCCCCCCCCCC(=O)OCC1COC(O1)C(CC)CCCC,CCCCCCCCCCCC(=O)OCC1COC(O1)C(CC)CCCC,"InChI=1/C23H44O4/c1-4-7-9-10-11-12-13-14-15-17-22(24)25-18-21-19-26-23(27-21)20(6-3)16-8-5-2/h20-21,23H,4-19H2,1-3H3",C23H44O4,,,,,,HGCKVGIEMOPPFY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.533,305-133-0,94346-08-4,N2-[2-[[2-(dodecylamino)ethyl]amino]ethyl]-L-asparagine,N~2~-(2-{[2-(dodecylamino)ethyl]amino}ethyl)-L-asparagine,CCCCCCCCCCCCNCCNCCN[C@@H](CC(=O)N)C(=O)O,CCCCCCCCCCCCNCCNCCN[C@@H](CC(=O)N)C(=O)O,"InChI=1/C20H42N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-18(20(26)27)17-19(21)25/h18,22-24H,2-17H2,1H3,(H2,21,25)(H,26,27)",C20H42N4O3,,,,,,QLXILPUJFJMPMU-SFHVURJKSA-N,,,,,,,,,,,
100.095.549,305-150-3,94349-33-4,"(S)-7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-[4-methoxy-3-(phenylmethoxy)phenyl]-4H-1-benzopyran-4-one","2-[3-(benzyloxy)-4-methoxyphenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside",COc1ccc(cc1OCc2ccccc2)[C@@H]3CC(=O)c4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)cc4O3,COc1ccc(cc1OCc2ccccc2)[C@@H]3CC(=O)c4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)cc4O3,"InChI=1/C35H40O15/c1-16-28(39)30(41)32(43)34(46-16)50-33-31(42)29(40)26(14-36)49-35(33)47-19-11-20(37)27-21(38)13-23(48-25(27)12-19)18-8-9-22(44-2)24(10-18)45-15-17-6-4-3-5-7-17/h3-12,16,23,26,28-37,39-43H,13-15H2,1-2H3",C35H40O15,,,,,,KKIMSRDEQTVCMY-ZJSYQPLQSA-N,,,,,,,,,,,
100.095.551,305-152-4,94349-35-6,"(2,3-epoxypropyl)dimethyl[3-[(16-methylheptadecanoyl)amino]propyl]ammonium chloride","N,N-dimethyl-3-[(16-methylheptadecanoyl)amino]-N-(oxiran-2-ylmethyl)propan-1-aminium chloride",[Cl-].CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1CO1,[Cl-].CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1CO1,"InChI=1/C26H52N2O2.ClH/c1-24(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-26(29)27-20-17-21-28(3,4)22-25-23-30-25;/h24-25H,5-23H2,1-4H3;1H",C26H53N2O2.Cl,,,,,,RJIUYPCWTSGCKF-UHFFFAOYSA-N,,,,,,,,,,,
100.095.552,305-154-5,94349-36-7,15-methylhexadecyl docos-13-enoate,15-methylhexadecyl docos-13-enoate,CC(C)CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC,CC(C)CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC,"InChI=1/C39H76O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-39(40)41-37-34-31-28-25-22-19-18-20-23-26-29-32-35-38(2)3/h11-12,38H,4-10,13-37H2,1-3H3",C39H76O2,,,,,,IHRNYXRSNHEHHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.554,305-156-6,94349-39-0,"N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]salicylamide","N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]-2-hydroxybenzamide",CC1(C)CC(CC(C)(CN)C1)NC(=O)c2ccccc2O,CC1(C)CC(CC(C)(CN)C1)NC(=O)c2ccccc2O,"InChI=1/C17H26N2O2/c1-16(2)8-12(9-17(3,10-16)11-18)19-15(21)13-6-4-5-7-14(13)20/h4-7,12,20H,8-11,18H2,1-3H3,(H,19,21)",C17H26N2O2,,,,,,ZRHYJVFRWFDYMK-UHFFFAOYSA-N,,,,,,,,,,,
100.098.434,308-329-4,97952-37-9,Hept-1-yn-1-yl methyl carbonate,hept-1-yn-1-yl methyl carbonate,CCCCCC#COC(=O)OC,CCCCCC#COC(=O)OC,"InChI=1/C9H14O3/c1-3-4-5-6-7-8-12-9(10)11-2/h3-6H2,1-2H3",C9H14O3,,,,,,PZHVEPZVKDFQRN-UHFFFAOYSA-N,,,,,,,,,,,
100.098.436,308-332-0,97952-40-4,N-[3-[(3-aminopropyl)methylamino]propyl]stearamide,N-{3-[(3-aminopropyl)(methyl)amino]propyl}octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCN,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCN,"InChI=1/C25H53N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(29)27-22-19-24-28(2)23-18-21-26/h3-24,26H2,1-2H3,(H,27,29)",C25H53N3O,,,,,,LAMMBWGFDKMRLU-UHFFFAOYSA-N,,,,,,,,,,,
100.096.602,306-313-1,96873-61-9,"Tetrasodium 4,4'-bis[3-[3-methyl-4-[(4-sulphonatophenyl)azo]phenyl]oxadiaziridinyl]stilbene-2,2'-disulphonate","tetrasodium 2,2'-ethene-1,2-diylbis[5-(3-{3-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl}oxadiaziridin-2-yl)benzenesulfonate]",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N3ON3c8ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)N5ON5c7cc(C)c(N=Nc6ccc(cc6)S([O-])(=O)=O)cc7)c(c8)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N3ON3c8ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)N5ON5c7cc(C)c(N=Nc6ccc(cc6)S([O-])(=O)=O)cc7)c(c8)S([O-])(=O)=O,"InChI=1/C40H32N8O14S4.4Na/c1-25-21-31(13-19-37(25)43-41-29-7-15-35(16-8-29)63(49,50)51)45-47(61-45)33-11-5-27(39(23-33)65(55,56)57)3-4-28-6-12-34(24-40(28)66(58,59)60)48-46(62-48)32-14-20-38(26(2)22-32)44-42-30-9-17-36(18-10-30)64(52,53)54;;;;/h3-24H,1-2H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4",C40H32N8O14S4.4Na,,,,,,ILMOHSXFHWROGI-RVWSMIFSSA-J,,,,,,,,,,,
100.096.606,306-317-3,97043-68-0,1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydroxide,1-{2-[{4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl}pyridinium hydroxide,[OH-].[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,[OH-].[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3,"InChI=1/C21H21ClN5O2.H2O/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;/h3-13,16H,2,14-15H2,1H3;1H2/q+1;/p-1",C21H21ClN5O2.HO,,,,,,ACWDAQHUTFPPCN-UHFFFAOYSA-M,,,,,,,,,,,
100.096.607,306-318-9,97043-69-1,"3-[3-(allyloxy)-2-hydroxypropoxy]pentane-2,4-dione","3-[3-(allyloxy)-2-hydroxypropoxy]pentane-2,4-dione",CC(=O)C(OCC(O)COCC=C)C(=O)C,CC(=O)C(OCC(O)COCC=C)C(=O)C,"InChI=1/C11H18O5/c1-4-5-15-6-10(14)7-16-11(8(2)12)9(3)13/h4,10-11,14H,1,5-7H2,2-3H3",C11H18O5,,,,,,GVAGLAABBPHREE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.724,304-243-6,94247-73-1,Sodium 4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo](phenylamino)naphthalene-2-sulphonate,sodium 1-anilino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].Oc4ccc(cc4N=Nc3c(c(Nc1ccccc1)c2ccccc2c3O)S([O-])(=O)=O)[N+]([O-])=O,[Na+].Oc4ccc(cc4N=Nc3c(c(Nc1ccccc1)c2ccccc2c3O)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C22H16N4O7S.Na/c27-18-11-10-14(26(29)30)12-17(18)24-25-20-21(28)16-9-5-4-8-15(16)19(22(20)34(31,32)33)23-13-6-2-1-3-7-13;/h1-12,23,27-28H,(H,31,32,33);/q;+1/p-1",C22H16N4O7S.Na,,,,,,NDGWXZGUWCTGKF-UHFFFAOYSA-M,,,,,,,,,,,
100.098.171,308-039-8,97861-98-8,2-[[4-[ethyl[2-(trimethylammonio)ethyl]amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium sulphate,"2-[(4-{ethyl[2-(trimethylammonio)ethyl]amino}phenyl)diazenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium sulfate",[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C22H31N5OS.H2O4S/c1-7-26(14-15-27(3,4)5)18-10-8-17(9-11-18)23-24-22-25(2)20-13-12-19(28-6)16-21(20)29-22;1-5(2,3)4/h8-13,16H,7,14-15H2,1-6H3;(H2,1,2,3,4)/q+2;/p-2",C22H31N5OS.O4S,,,,,,CFQDMGTZDYNPHX-UHFFFAOYSA-L,,,,,,,,,,,
100.098.172,308-040-3,97861-99-9,2-[[4-[ethyl[2-(trimethylammonio)ethyl]amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium dithiocyanate,"2-[(4-{ethyl[2-(trimethylammonio)ethyl]amino}phenyl)diazenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium bis(thiocyanate)",[S-]C#N.[S-]C#N.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[S-]C#N.[S-]C#N.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/C22H31N5OS.2CHNS/c1-7-26(14-15-27(3,4)5)18-10-8-17(9-11-18)23-24-22-25(2)20-13-12-19(28-6)16-21(20)29-22;2*2-1-3/h8-13,16H,7,14-15H2,1-6H3;2*3H/q+2;;/p-2",C22H31N5OS.2CNS,,,,,,TWPFOFBCQAWUTH-UHFFFAOYSA-L,,,,,,,,,,,
100.098.173,308-041-9,97862-00-5,"3-chloro-4-[[4-[[2-(dimethylamino)ethyl]ethylamino]phenyl]azo]-N,N,N-trimethylanilinium methyl sulphate","3-chloro-4-[(4-{[2-(dimethylamino)ethyl](ethyl)amino}phenyl)diazenyl]-N,N,N-trimethylanilinium methyl sulfate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[O-]S(=O)(=O)OC,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[O-]S(=O)(=O)OC,"InChI=1/C21H31ClN5.CH4O4S/c1-7-26(15-14-25(2)3)18-10-8-17(9-11-18)23-24-21-13-12-19(16-20(21)22)27(4,5)6;1-5-6(2,3)4/h8-13,16H,7,14-15H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1",C21H31ClN5.CH3O4S,,,,,,HZWHEWKQOKKNBA-UHFFFAOYSA-M,,,,,,,,,,,
100.098.174,308-042-4,97862-01-6,"3-chloro-4-[[4-[[2-(dimethylamino)ethyl]ethylamino]phenyl]azo]-N,N,N-trimethylanilinium acetate","3-chloro-4-[(4-{[2-(dimethylamino)ethyl](ethyl)amino}phenyl)diazenyl]-N,N,N-trimethylanilinium acetate",Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[O-]C(C)=O,Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[O-]C(C)=O,"InChI=1/C21H31ClN5.C2H4O2/c1-7-26(15-14-25(2)3)18-10-8-17(9-11-18)23-24-21-13-12-19(16-20(21)22)27(4,5)6;1-2(3)4/h8-13,16H,7,14-15H2,1-6H3;1H3,(H,3,4)/q+1;/p-1",C21H31ClN5.C2H3O2,,,,,,UOIFNQILCYKXMV-UHFFFAOYSA-M,,,,,,,,,,,
100.094.726,304-245-7,94247-75-3,Diisobutylnaphthalene-2-sulphonic acid,"1,3-diisobutylnaphthalene-2-sulfonic acid",CC(C)Cc1cc2ccccc2c(CC(C)C)c1S(=O)(=O)O,CC(C)Cc1cc2ccccc2c(CC(C)C)c1S(=O)(=O)O,"InChI=1/C18H24O3S/c1-12(2)9-15-11-14-7-5-6-8-16(14)17(10-13(3)4)18(15)22(19,20)21/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21)",C18H24O3S,,,,,,UTDRFZYLWMKWGN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.727,304-246-2,94247-76-4,Ethyl dimethylhexanoate,"ethyl 2,2-dimethylhexanoate",CCCCC(C)(C)C(=O)OCC,CCCCC(C)(C)C(=O)OCC,"InChI=1/C10H20O2/c1-5-7-8-10(3,4)9(11)12-6-2/h5-8H2,1-4H3",C10H20O2,,,,,,LFKWULYOKKJLPP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.918,287-940-7,85614-53-5,"Methyl 2,4-dioxopyrrolidine-1-acetate","methyl (2,4-dioxopyrrolidin-1-yl)acetate",COC(=O)CN1CC(=O)CC1=O,COC(=O)CN1CC(=O)CC1=O,"InChI=1/C7H9NO4/c1-12-7(11)4-8-3-5(9)2-6(8)10/h2-4H2,1H3",C7H9NO4,,,,,,JPAKDWDSBDWWRK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.921,287-943-3,85622-95-3,Mitozolomide,"3-(2-chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide",NC(=O)c1ncn2C(=O)N(CCCl)N=Nc12,NC(=O)c1ncn2C(=O)N(CCCl)N=Nc12,"InChI=1/C7H7ClN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15)",C7H7ClN6O2,,,,,,QXYYYPFGTSJXNS-UHFFFAOYSA-N,,,,,,,,,,,
100.085.253,293-814-2,91125-08-5,"6-(2-bromoethyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one monohydrobromide","6-(2-bromoethyl)-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one hydrobromide",Br.CC1=CSC2=NC(=C(CCBr)C(=O)N12)C,Br.CC1=CSC2=NC(=C(CCBr)C(=O)N12)C,"InChI=1/C10H11BrN2OS.BrH/c1-6-5-15-10-12-7(2)8(3-4-11)9(14)13(6)10;/h5H,3-4H2,1-2H3;1H",C10H11BrN2OS.BrH,,,,,,LSODVBSJEPWJKG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.345,287-310-1,85480-31-5,"Phosphoric acid, methyl ester, ammonium salt",ammonium methyl hydrogen phosphate,[NH4+].COP(=O)(O)[O-],[NH4+].COP(=O)(O)[O-],"InChI=1/CH5O4P.H3N/c1-5-6(2,3)4;/h1H3,(H2,2,3,4);1H3",-,,,,,,BJXOKWBGBQWGNG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.364,287-331-6,85480-51-9,"Acetic acid, (2-methoxyphenoxy)-, bismuth salt, basic",-,[BiH3+3].COc1ccccc1OCC(=O)[O-],[BiH3+3].COc1ccccc1OCC(=O)[O-],"InChI=1/C9H10O4.Bi.3H/c1-12-7-4-2-3-5-8(7)13-6-9(10)11;;;;/h2-5H,6H2,1H3,(H,10,11);;;;/q;+3;;;/p-1/rC9H10O4.BiH3/c1-12-7-4-2-3-5-8(7)13-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);1H3/q;+3/p-1",-,,,,,,QIKWCOAPACRZEV-UHFFFAOYSA-M,,,,,,,,,,,
100.081.064,289-203-5,86190-47-8,N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(1-methylpropyl)amino]phenyl]acetamide,N-{5-(sec-butylamino)-2-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}acetamide,Clc2cc(ccc2N=Nc1ccc(NC(C)CC)cc1NC(C)=O)[N+]([O-])=O,Clc2cc(ccc2N=Nc1ccc(NC(C)CC)cc1NC(C)=O)[N+]([O-])=O,"InChI=1/C18H20ClN5O3/c1-4-11(2)20-13-5-7-17(18(9-13)21-12(3)25)23-22-16-8-6-14(24(26)27)10-15(16)19/h5-11,20H,4H2,1-3H3,(H,21,25)",C18H20ClN5O3,,,,,,SLMDSOHNJYMVJP-UHFFFAOYSA-N,,,,,,,,,,,
100.081.069,289-208-2,86231-09-6,"Sodium 3,4,5-trichlorophenolate","sodium 3,4,5-trichlorophenolate",[Na+].[O-]c1cc(Cl)c(Cl)c(Cl)c1,[Na+].[O-]c1cc(Cl)c(Cl)c(Cl)c1,"InChI=1/C6H3Cl3O.Na/c7-4-1-3(10)2-5(8)6(4)9;/h1-2,10H;/q;+1/p-1",C6H3Cl3O.Na,,,,,,NQBODVNQFWZLQQ-UHFFFAOYSA-M,,,,,,,,,,,
100.081.072,289-211-9,86244-36-2,"5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulpho-2-naphthyl)azo]naphthalene-2,7-disulphonic acid","5-({4-chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(1-sulfo-2-naphthyl)diazenyl]naphthalene-2,7-disulfonic acid",Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(n5)N(CC)c6ccccc6,Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(n5)N(CC)c6ccccc6,"InChI=1/C31H24ClN7O10S3/c1-2-39(19-9-4-3-5-10-19)31-35-29(32)34-30(36-31)33-23-16-20(50(41,42)43)14-18-15-24(51(44,45)46)26(27(40)25(18)23)38-37-22-13-12-17-8-6-7-11-21(17)28(22)52(47,48)49/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36)",C31H24ClN7O10S3,,,,,,MAHODVOXZFERKN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.073,289-212-4,86248-59-1,Calcium dihydrogen bis(2-oxoglutarate),calcium dihydrogen bis(2-oxopentanedioate),[Ca+2].[O-]C(=O)CCC(=O)C(=O)[O-].[O-]C(=O)CCC(=O)C(=O)[O-],[Ca+2].[O-]C(=O)CCC(=O)C(=O)[O-].[O-]C(=O)CCC(=O)C(=O)[O-],"InChI=1/2C5H6O5.Ca/c2*6-3(5(9)10)1-2-4(7)8;/h2*1-2H2,(H,7,8)(H,9,10);/q;;+2/p-4",C5H6O5.1/2Ca,,,,,,MQTJHYQVPBNOHT-UHFFFAOYSA-J,,,,,,,,,,,
100.081.078,289-218-7,86282-42-0,12-hydroxydodecyl methacrylate,12-hydroxydodecyl methacrylate,CC(=C)C(=O)OCCCCCCCCCCCCO,CC(=C)C(=O)OCCCCCCCCCCCCO,"InChI=1/C16H30O3/c1-15(2)16(18)19-14-12-10-8-6-4-3-5-7-9-11-13-17/h17H,1,3-14H2,2H3",C16H30O3,,,,,,AEZJNQZYZFLLIY-UHFFFAOYSA-N,,,,,,,,,,,
100.081.089,289-230-2,86370-25-4,Tetracosyloxirane,2-tetracosyloxirane,CCCCCCCCCCCCCCCCCCCCCCCCC1CO1,CCCCCCCCCCCCCCCCCCCCCCCCC1CO1,"InChI=1/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-25-27-26/h26H,2-25H2,1H3",C26H52O,,,,,,VHAXNXDRZSLKOX-UHFFFAOYSA-N,,,,,,,,,,,
100.079.750,287-755-1,85567-42-6,N-ethyl-3-hydroxypyridine-2-carboxamide,N-ethyl-3-hydroxypyridine-2-carboxamide,CCNC(=O)c1ncccc1O,CCNC(=O)c1ncccc1O,"InChI=1/C8H10N2O2/c1-2-9-8(12)7-6(11)4-3-5-10-7/h3-5,11H,2H2,1H3,(H,9,12)",C8H10N2O2,,,,,,LFWRQFJPNVXWRX-UHFFFAOYSA-N,,,,,,,,,,,
100.079.753,287-758-8,85567-45-9,N-(tert-butyl)-3-hydroxypyridine-2-carboxamide monohydrochloride,N-tert-butyl-3-hydroxypyridine-2-carboxamide hydrochloride,Cl.CC(C)(C)NC(=O)c1ncccc1O,Cl.CC(C)(C)NC(=O)c1ncccc1O,"InChI=1/C10H14N2O2.ClH/c1-10(2,3)12-9(14)8-7(13)5-4-6-11-8;/h4-6,13H,1-3H3,(H,12,14);1H",C10H14N2O2.ClH,,,,,,HCCLAXXVXYVKFD-UHFFFAOYSA-N,,,,,,,,,,,
100.079.769,287-776-6,85567-61-9,Sodium hydrogen 4-[bis(2-ethylhexyl)amino]-4-oxosulphonatobutyrate,sodium hydrogen 4-[bis(2-ethylhexyl)amino]-4-oxo-2-sulfonatobutanoate,[Na+].CCCCC(CC)CN(CC(CC)CCCC)C(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Na+].CCCCC(CC)CN(CC(CC)CCCC)C(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H39NO6S.Na/c1-5-9-11-16(7-3)14-21(15-17(8-4)12-10-6-2)19(22)13-18(20(23)24)28(25,26)27;/h16-18H,5-15H2,1-4H3,(H,23,24)(H,25,26,27);/q;+1/p-2",C20H39NO6S.Na,,,,,,GADMEWHLDPQKAA-UHFFFAOYSA-L,,,,,,,,,,,
100.096.925,306-668-2,97375-13-8,"Sodium 1-amino-4-[3-[[(2,3-dichloro-6-quinoxalinyl)sulphonyl]sulphamoyl]-2,6-dimethylphenyl]amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate","sodium 1-amino-4-[(3-{[(2,3-dichloroquinoxalin-6-yl)sulfonyl]sulfamoyl}-2,6-dimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].Cc1ccc(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)NS(=O)(=O)c5ccc6nc(Cl)c(Cl)nc6c5,[Na+].Cc1ccc(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)NS(=O)(=O)c5ccc6nc(Cl)c(Cl)nc6c5,"InChI=1/C30H21Cl2N5O9S3.Na/c1-13-7-10-21(48(42,43)37-47(40,41)15-8-9-18-19(11-15)36-30(32)29(31)35-18)14(2)26(13)34-20-12-22(49(44,45)46)25(33)24-23(20)27(38)16-5-3-4-6-17(16)28(24)39;/h3-12,34,37H,33H2,1-2H3,(H,44,45,46);/q;+1/p-1",C30H21Cl2N5O9S3.Na,,,,,,ACUPDXXDRCXYOM-UHFFFAOYSA-M,,,,,,,,,,,
100.098.652,308-575-2,98106-54-8,Octaaluminium zirconium pentachloride tricosahydroxide,octaaluminium zirconium pentachloride tricosahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2],InChI=1/8Al.5ClH.23H2O.Zr/h;;;;;;;;5*1H;23*1H2;/q8*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2/p-28,Al8Cl5H23O23Zr,,,,,,KPAMXRAGRWFIBY-UHFFFAOYSA-A,,,,,,,,,,,
100.098.679,308-607-5,98143-42-1,2-[bis(2-hydroxymethylethoxy)amino]-2-methylpropan-1-ol,2-[bis(3-hydroxypropoxy)amino]-2-methylpropan-1-ol,CC(C)(CO)N(OCCCO)OCCCO,CC(C)(CO)N(OCCCO)OCCCO,"InChI=1/C10H23NO5/c1-10(2,9-14)11(15-7-3-5-12)16-8-4-6-13/h12-14H,3-9H2,1-2H3",C10H23NO5,,,,,,RIGDKRZCOJRNHF-UHFFFAOYSA-N,,,,,,,,,,,
100.098.680,308-608-0,98143-43-2,"1-Tetradecanol, phosphate, compd. with 2-aminoethanol",-,CCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO,CCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO,"InChI=1/C14H31O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;3-1-2-4/h2-14H2,1H3,(H2,15,16,17);4H,1-3H2/p-2",-,,,,,,QUBKKFSRLSGSBR-UHFFFAOYSA-L,,,,,,,,,,,
100.096.927,306-670-3,97375-15-0,Chlorodimethyl(1-methyl-1-propenyl)silane,chloro(dimethyl)(1-methylprop-1-en-1-yl)silane,CC(=CC)[Si](C)(C)Cl,CC(=CC)[Si](C)(C)Cl,"InChI=1/C6H13ClSi/c1-5-6(2)8(3,4)7/h5H,1-4H3",C6H13ClSi,,,,,,GCNUQLYVNHKSNI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.928,306-671-9,97375-16-1,4-(1-methyl-2-phenylethyl)-N-phenylaniline,4-(1-methyl-2-phenylethyl)-N-phenylaniline,CC(Cc1ccccc1)c2ccc(Nc3ccccc3)cc2,CC(Cc1ccccc1)c2ccc(Nc3ccccc3)cc2,"InChI=1/C21H21N/c1-17(16-18-8-4-2-5-9-18)19-12-14-21(15-13-19)22-20-10-6-3-7-11-20/h2-15,17,22H,16H2,1H3",C21H21N,,,,,,KCCZEHRZIJVJCU-UHFFFAOYSA-N,,,,,,,,,,,
100.096.955,306-701-0,97392-66-0,"(E)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-(4-chlorophenyl)-N,N-dimethylallylamine hydrochloride","3-(4'-bromobiphenyl-4-yl)-3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine hydrochloride",Cl.CN(C)C\\C=C(\\c1ccc(Cl)cc1)/c2ccc(cc2)c3ccc(Br)cc3,Cl.CN(C)C\C=C(\c1ccc(Cl)cc1)/c2ccc(cc2)c3ccc(Br)cc3,"InChI=1/C23H21BrClN.ClH/c1-26(2)16-15-23(20-9-13-22(25)14-10-20)19-5-3-17(4-6-19)18-7-11-21(24)12-8-18;/h3-15H,16H2,1-2H3;1H",C23H21BrClN.ClH,,,,,,ADGYXBJHJJGLRM-BUGNPGDCSA-N,,,,,,,,,,,
100.096.962,306-708-9,97392-73-9,Diphenyltridecane,"1,1'-tridecane-1,1-diyldibenzene",CCCCCCCCCCCCC(c1ccccc1)c2ccccc2,CCCCCCCCCCCCC(c1ccccc1)c2ccccc2,"InChI=1/C25H36/c1-2-3-4-5-6-7-8-9-10-17-22-25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3",C25H36,,,,,,REGVVWIVILJTIW-UHFFFAOYSA-N,,,,,,,,,,,
100.096.963,306-709-4,97392-74-0,Diphenylundecane,"1,1'-undecane-1,1-diyldibenzene",CCCCCCCCCCC(c1ccccc1)c2ccccc2,CCCCCCCCCCC(c1ccccc1)c2ccccc2,"InChI=1/C23H32/c1-2-3-4-5-6-7-8-15-20-23(21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19,23H,2-8,15,20H2,1H3",C23H32,,,,,,HUMMQDLHLVLHCE-UHFFFAOYSA-N,,,,,,,,,,,
100.098.682,308-610-1,98143-45-4,"1-Eicosanol, phosphate, compd. with 2-aminoethanol",-,CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO,CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO,"InChI=1/C20H43O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;3-1-2-4/h2-20H2,1H3,(H2,21,22,23);4H,1-3H2/p-2",-,,,,,,NELQZYXUQISSTQ-UHFFFAOYSA-L,,,,,,,,,,,
100.098.683,308-611-7,98143-46-5,"1-Eicosanol, phosphate, compd. with 2,2'-iminobis[ethanol]",-,CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO,CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO,"InChI=1/C20H43O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;6-3-1-5-2-4-7/h2-20H2,1H3,(H2,21,22,23);5-7H,1-4H2/p-2",-,,,,,,KZDPBMZYLHSSLB-UHFFFAOYSA-L,,,,,,,,,,,
100.098.684,308-612-2,98143-47-6,"1-Eicosanol, phosphate, compd. with 2,2',2''-nitrilotris[ethanol]",-,CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCN(CCO)CCO,"InChI=1/C20H43O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;8-4-1-7(2-5-9)3-6-10/h2-20H2,1H3,(H2,21,22,23);8-10H,1-6H2/p-2",-,,,,,,TUHNBUBFWBXSBX-UHFFFAOYSA-L,,,,,,,,,,,
100.098.687,308-615-9,98143-50-1,"1-Docosanol, phosphate, compd. with 2,2',2''-nitrilotris[ethanol]",-,CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCN(CCO)CCO,CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCN(CCO)CCO,"InChI=1/C22H47O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;8-4-1-7(2-5-9)3-6-10/h2-22H2,1H3,(H2,23,24,25);8-10H,1-6H2/p-2",-,,,,,,HRDAGJDGNCBLFC-UHFFFAOYSA-L,,,,,,,,,,,
100.098.688,308-616-4,98143-51-2,"Phosphoric acid, ethyl ester, compd. with 2-aminoethanol",ethyl dihydrogen phosphate - 2-aminoethanol (1:1),CCOP(=O)(O)O.NCCO,CCOP(=O)(O)O.NCCO,"InChI=1/C2H7NO.C2H7O4P/c3-1-2-4;1-2-6-7(3,4)5/h4H,1-3H2;2H2,1H3,(H2,3,4,5)",-,,,,,,ZXGVHYCIRLPRBM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.729,304-248-3,94247-78-6,Ethyl dimethyloctanoate,"ethyl 2,2-dimethyloctanoate",CCCCCCC(C)(C)C(=O)OCC,CCCCCCC(C)(C)C(=O)OCC,"InChI=1/C12H24O2/c1-5-7-8-9-10-12(3,4)11(13)14-6-2/h5-10H2,1-4H3",C12H24O2,,,,,,SDPOPABRGIAPNC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.730,304-249-9,94247-79-7,Allyl dimethyloctanoate,"allyl 2,2-dimethyloctanoate",CCCCCCC(C)(C)C(=O)OCC=C,CCCCCCC(C)(C)C(=O)OCC=C,"InChI=1/C13H24O2/c1-5-7-8-9-10-13(3,4)12(14)15-11-6-2/h6H,2,5,7-11H2,1,3-4H3",C13H24O2,,,,,,COLWXZYBIQYHDB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.738,304-258-8,94247-87-7,Tetrahydro-2-[(methylphenyl)thio]-2H-pyran,2-[(2-methylphenyl)sulfanyl]tetrahydro-2H-pyran,Cc1ccccc1SC2CCCCO2,Cc1ccccc1SC2CCCCO2,"InChI=1/C12H16OS/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h2-3,6-7,12H,4-5,8-9H2,1H3",C12H16OS,,,,,,FASJGHIXLJLMTG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.742,304-263-5,94247-92-4,"1,4-bis(ethylhexyl) 2-sulphosuccinate, compound with 2-aminoethanol (1:1)","1,4-bis[(1-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid - 2-aminoethanol (1:1)",CCCCCC(CC)OC(=O)CC(C(=O)OC(CC)CCCCC)S(=O)(=O)O.NCCO,CCCCCC(CC)OC(=O)CC(C(=O)OC(CC)CCCCC)S(=O)(=O)O.NCCO,"InChI=1/C20H38O7S.C2H7NO/c1-5-9-11-13-16(7-3)26-19(21)15-18(28(23,24)25)20(22)27-17(8-4)14-12-10-6-2;3-1-2-4/h16-18H,5-15H2,1-4H3,(H,23,24,25);4H,1-3H2",C20H38O7S.C2H7NO,,,,,,OBXVYQJLVQTLOH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.746,304-267-7,94247-97-9,"(1,2-dimethylallyl)dihydrofuran-2(3H)-one","3-(1,2-dimethylprop-2-en-1-yl)dihydrofuran-2(3H)-one",CC(C1CCOC1=O)C(=C)C,CC(C1CCOC1=O)C(=C)C,"InChI=1/C9H14O2/c1-6(2)7(3)8-4-5-11-9(8)10/h7-8H,1,4-5H2,2-3H3",C9H14O2,,,,,,UKCJHBAJAZQFTL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.764,304-287-6,94248-15-4,"Sodium [[3-anilino-9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl]amino]benzenesulphonate","sodium 2-[(3-anilino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzenesulfonate",[Na+].Oc1c(Nc2ccccc2)cc(Nc3ccccc3S(=O)(=O)[O-])c4C(=O)c5ccccc5C(=O)c14,[Na+].Oc1c(Nc2ccccc2)cc(Nc3ccccc3S(=O)(=O)[O-])c4C(=O)c5ccccc5C(=O)c14,"InChI=1/C26H18N2O6S.Na/c29-24-16-10-4-5-11-17(16)25(30)23-22(24)19(28-18-12-6-7-13-21(18)35(32,33)34)14-20(26(23)31)27-15-8-2-1-3-9-15;/h1-14,27-28,31H,(H,32,33,34);/q;+1/p-1",C26H18N2O6S.Na,,,,,,DBJUHVXXKUHUHV-UHFFFAOYSA-M,,,,,,,,,,,
100.094.765,304-288-1,94248-16-5,"Sodium [[10-anilino-4,9-dihydro-1-hydroxy-4,9-dioxo-2-anthryl]amino]benzenesulphonate","sodium 2-[(10-anilino-1-hydroxy-4,9-dioxo-4,9-dihydroanthracen-2-yl)amino]benzenesulfonate",[Na+].OC1=C2C(=O)c3ccccc3C(=C2C(=O)C=C1Nc4ccccc4S(=O)(=O)[O-])Nc5ccccc5,[Na+].OC1=C2C(=O)c3ccccc3C(=C2C(=O)C=C1Nc4ccccc4S(=O)(=O)[O-])Nc5ccccc5,"InChI=1/C26H18N2O6S.Na/c29-20-14-19(28-18-12-6-7-13-21(18)35(32,33)34)26(31)23-22(20)24(27-15-8-2-1-3-9-15)16-10-4-5-11-17(16)25(23)30;/h1-14,27-28,31H,(H,32,33,34);/q;+1/p-1",C26H18N2O6S.Na,,,,,,RQWNMVHGRKULSY-UHFFFAOYSA-M,,,,,,,,,,,
100.094.766,304-289-7,94248-17-6,"Sodium 4,6-dihydroxy[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-6-methoxy-p-tolyl]azo]naphthalene-2-sulphonate","sodium 4,6-dihydroxy-1-{[4-({4-[(4-hydroxyphenyl)diazenyl]phenyl}diazenyl)-2-methoxy-4-methylcyclohexa-2,5-dien-1-yl]diazenyl}naphthalene-2-sulfonate",[Na+].CO/C5=C/C(C)(N=Nc2ccc(N=Nc1ccc(O)cc1)cc2)\\C=C/C5N=Nc4c3ccc(O)cc3c(O)cc4S([O-])(=O)=O,[Na+].CO/C5=C/C(C)(N=Nc2ccc(N=Nc1ccc(O)cc1)cc2)\C=C/C5N=Nc4c3ccc(O)cc3c(O)cc4S([O-])(=O)=O,"InChI=1/C30H26N6O7S.Na/c1-30(36-33-20-5-3-18(4-6-20)31-32-19-7-9-21(37)10-8-19)14-13-25(27(17-30)43-2)34-35-29-23-12-11-22(38)15-24(23)26(39)16-28(29)44(40,41)42;/h3-17,25,37-39H,1-2H3,(H,40,41,42);/q;+1/p-1",C30H24N6O7S.Na,,,,,,BMGQREYXYODGOH-UHFFFAOYSA-M,,,,,,,,,,,
100.098.226,308-100-9,97862-53-8,"Hexanoic acid, 2-ethyl-, 32-hydroxy-3,6,9,12,15,18,21,24,27,30-decaoxadotriacont-1-yl ester","32-hydroxy-3,6,9,12,15,18,21,24,27,30-decaoxadotriacont-1-yl 2-ethylhexanoate",CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C30H60O13/c1-3-5-6-29(4-2)30(32)43-28-27-42-26-25-41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-8-7-31/h29,31H,3-28H2,1-2H3",-,,,,,,BOHYYGJGCSQYKW-UHFFFAOYSA-N,,,,,,,,,,,
100.098.229,308-104-0,97862-56-1,"Hexanoic acid, 2-ethyl-, 41-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracont-1-yl ester","41-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracont-1-yl 2-ethylhexanoate",CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C36H72O16/c1-3-5-6-35(4-2)36(38)52-34-33-51-32-31-50-30-29-49-28-27-48-26-25-47-24-23-46-22-21-45-20-19-44-18-17-43-16-15-42-14-13-41-12-11-40-10-9-39-8-7-37/h35,37H,3-34H2,1-2H3",-,,,,,,WYVWCFMSYWRPSE-UHFFFAOYSA-N,,,,,,,,,,,
100.100.114,310-200-2,23419-38-7,"4-toluenesulfonate of 5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-4H-1,2,4-triazolium","5-{[4-(dimethylamino)phenyl]diazenyl}-1,4-dimethyl-4H-1,2,4-triazol-1-ium 4-methylbenzenesulfonate",Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.[O-]S(=O)(=O)c1ccc(C)cc1,Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.[O-]S(=O)(=O)c1ccc(C)cc1,"InChI=1/C12H17N6.C7H8O3S/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",-,,,,,,JFXNYLQPNYKNBB-UHFFFAOYSA-M,,,,,,,,,,,
100.081.112,289-255-9,86579-44-4,"N-phenyl-N'-[4-(1-phenylethyl)phenyl]benzene-1,4-diamine","N-phenyl-N'-[4-(1-phenylethyl)phenyl]benzene-1,4-diamine",CC(c1ccccc1)c2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2,CC(c1ccccc1)c2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2,"InChI=1/C26H24N2/c1-20(21-8-4-2-5-9-21)22-12-14-24(15-13-22)28-26-18-16-25(17-19-26)27-23-10-6-3-7-11-23/h2-20,27-28H,1H3",C26H24N2,,,,,,PIYLSRIGTMZWFR-UHFFFAOYSA-N,,,,,,,,,,,
100.081.118,289-262-7,86626-72-4,2-[ethyl(4-formyl-3-methylphenyl)amino]ethyl 3-(trichloromethyl)benzoate,2-[ethyl(4-formyl-3-methylphenyl)amino]ethyl 3-(trichloromethyl)benzoate,CCN(CCOC(=O)c1cccc(c1)C(Cl)(Cl)Cl)c2ccc(C=O)c(C)c2,CCN(CCOC(=O)c1cccc(c1)C(Cl)(Cl)Cl)c2ccc(C=O)c(C)c2,"InChI=1/C20H20Cl3NO3/c1-3-24(18-8-7-16(13-25)14(2)11-18)9-10-27-19(26)15-5-4-6-17(12-15)20(21,22)23/h4-8,11-13H,3,9-10H2,1-2H3",C20H20Cl3NO3,,,,,,CFBXNTURAPEGTI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.121,289-265-3,86626-75-7,"2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl 4-(trichloromethyl)benzoate","2-{[4-(2,2-dicyanovinyl)-3-methylphenyl](ethyl)amino}ethyl 4-(trichloromethyl)benzoate",CCN(CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl)c2ccc(C=C(C#N)C#N)c(C)c2,CCN(CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl)c2ccc(C=C(C#N)C#N)c(C)c2,"InChI=1/C23H20Cl3N3O2/c1-3-29(21-9-6-19(16(2)12-21)13-17(14-27)15-28)10-11-31-22(30)18-4-7-20(8-5-18)23(24,25)26/h4-9,12-13H,3,10-11H2,1-2H3",C23H20Cl3N3O2,,,,,,VOLKPDDHJOZOPT-UHFFFAOYSA-N,,,,,,,,,,,
100.081.123,289-267-4,86651-05-0,"Methyl 8-ethyl-5,8-dihydro-2-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate","methyl 8-ethyl-2-methoxy-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate",CCN1C=C(C(=O)OC)C(=O)c2cnc(OC)nc12,CCN1C=C(C(=O)OC)C(=O)c2cnc(OC)nc12,"InChI=1/C12H13N3O4/c1-4-15-6-8(11(17)18-2)9(16)7-5-13-12(19-3)14-10(7)15/h5-6H,4H2,1-3H3",C12H13N3O4,,,,,,BPFBTKGLQOKVBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.168,287-115-1,85409-46-7,"4-(dodecyloxy)benzene-1,3-diamine dihydrochloride","4-(dodecyloxy)benzene-1,3-diamine dihydrochloride",Cl.Cl.CCCCCCCCCCCCOc1ccc(N)cc1N,Cl.Cl.CCCCCCCCCCCCOc1ccc(N)cc1N,"InChI=1/C18H32N2O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-13-12-16(19)15-17(18)20;;/h12-13,15H,2-11,14,19-20H2,1H3;2*1H",C18H32N2O.2ClH,,,,,,XXWWSGJRWGPPNG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.169,287-116-7,85409-47-8,"Bis([1,1'-biphenyl]-4-yl)iodochromium",dibiphenyl-4-yl(iodo)chromium,I[Cr](c1ccc(cc1)c2ccccc2)c3ccc(cc3)c4ccccc4,I[Cr](c1ccc(cc1)c2ccccc2)c3ccc(cc3)c4ccccc4,"InChI=1/2C12H9.Cr.HI/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h2*1,3-10H;;1H/q;;+1;/p-1/rC24H18CrI/c26-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H",C24H18CrI,,,,,,BIRIJWVZTHIYOR-UHFFFAOYSA-M,,,,,,,,,,,
100.079.171,287-118-8,85409-49-0,"4-hydroxy-3-[(4-nitrophenyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid","4-hydroxy-5-{[(4-methylphenyl)sulfonyl]amino}-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O,Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O,"InChI=1/C23H18N4O11S3/c1-13-2-8-17(9-3-13)39(31,32)26-19-12-18(40(33,34)35)10-14-11-20(41(36,37)38)22(23(28)21(14)19)25-24-15-4-6-16(7-5-15)27(29)30/h2-12,26,28H,1H3,(H,33,34,35)(H,36,37,38)",C23H18N4O11S3,,,,,,TXXKONXNGGPOSG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.175,287-123-5,85409-53-6,Sodium 6-amino-3-[[5-anilinosulphonyl-2-methylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate,sodium 6-amino-4-hydroxy-3-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2-sulfonate,[Na+].O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2ccc(N)cc2c3O)S([O-])(=O)=O)c(C)cc4,[Na+].O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2ccc(N)cc2c3O)S([O-])(=O)=O)c(C)cc4,"InChI=1/C23H20N4O6S2.Na/c1-14-7-10-18(34(29,30)27-17-5-3-2-4-6-17)13-20(14)25-26-22-21(35(31,32)33)11-15-8-9-16(24)12-19(15)23(22)28;/h2-13,27-28H,24H2,1H3,(H,31,32,33);/q;+1/p-1",C23H20N4O6S2.Na,,,,,,JWRQANJBOWNUCE-UHFFFAOYSA-M,,,,,,,,,,,
100.079.176,287-124-0,85409-54-7,6-amino-3-[[5-anilinosulphonyl-2-methylphenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid,6-amino-4-hydroxy-3-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2-sulfonic acid,O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2ccc(N)cc2c3O)S(O)(=O)=O)c(C)cc4,O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2ccc(N)cc2c3O)S(O)(=O)=O)c(C)cc4,"InChI=1/C23H20N4O6S2/c1-14-7-10-18(34(29,30)27-17-5-3-2-4-6-17)13-20(14)25-26-22-21(35(31,32)33)11-15-8-9-16(24)12-19(15)23(22)28/h2-13,27-28H,24H2,1H3,(H,31,32,33)",C23H20N4O6S2,,,,,,RPBWMBIMMYHZFS-UHFFFAOYSA-N,,,,,,,,,,,
100.079.177,287-125-6,85409-55-8,"Ethyl 4-[[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate","ethyl 4-({5-[(2-acetoxyethyl)sulfonyl]-2-methoxyphenyl}diazenyl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",CC(=O)OCCS(=O)(=O)c3cc(N=NC2\\C(=N/N(c1ccccc1)C2=O)C(=O)OCC)c(OC)cc3,CC(=O)OCCS(=O)(=O)c3cc(N=NC2\C(=N/N(c1ccccc1)C2=O)C(=O)OCC)c(OC)cc3,"InChI=1/C23H24N4O8S/c1-4-34-23(30)21-20(22(29)27(26-21)16-8-6-5-7-9-16)25-24-18-14-17(10-11-19(18)33-3)36(31,32)13-12-35-15(2)28/h5-11,14,20H,4,12-13H2,1-3H3",C23H24N4O8S,,,,,,SUNYAGHCOLNIAY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.989,306-738-2,97403-76-4,"Disodium p-[4,5-dihydro-5-imino-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonate","disodium 4-{5-imino-4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2C(\\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=N)c(OC)cc3,[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=N)c(OC)cc3,"InChI=1/C19H21N5O10S3.2Na/c1-12-18(19(20)24(23-12)13-3-5-14(6-4-13)36(27,28)29)22-21-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,18,20H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C19H21N5O10S3.2Na,,,,,,TWSPAFSLXUXXNH-UHFFFAOYSA-L,,,,,,,,,,,
100.097.456,307-252-3,97553-89-4,"1-Docosanol, phosphate, sodium salt",-,[Na+].CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[Na+].CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C22H47O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H2,23,24,25);/q;+1/p-2",-,,,,,,UIYWNYCALIADHI-UHFFFAOYSA-L,,,,,,,,,,,
100.097.457,307-253-9,97574-43-1,"Trisodium 4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrrole-3-carboxylate","trisodium 4-[(5-{[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrrole-3-carboxylate",[Na+].[Na+].[Na+].CCCCc1ccc(cc1)Oc2nc(Cl)nc(n2)Nc5cc(N=NC4\\C(=C/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O,[Na+].[Na+].[Na+].CCCCc1ccc(cc1)Oc2nc(Cl)nc(n2)Nc5cc(N=NC4\C(=C/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(cc5)S([O-])(=O)=O,"InChI=1/C30H26ClN7O10S2.3Na/c1-2-3-4-17-5-10-20(11-6-17)48-30-34-28(31)33-29(35-30)32-18-7-14-24(50(45,46)47)23(15-18)36-37-25-22(27(40)41)16-38(26(25)39)19-8-12-21(13-9-19)49(42,43)44;;;/h5-16,25H,2-4H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,32,33,34,35);;;/q;3*+1/p-3",C30H26ClN7O10S2.3Na,,,,,,PZBVTCVOAVDFJQ-UHFFFAOYSA-K,,,,,,,,,,,
100.097.458,307-254-4,97574-44-2,1-[(2-hydroxyethyl)[4-[(2-hydroxyethyl)amino]butyl]amino]propan-2-ol,1-[(2-hydroxyethyl){4-[(2-hydroxyethyl)amino]butyl}amino]propan-2-ol,CC(O)CN(CCO)CCCCNCCO,CC(O)CN(CCO)CCCCNCCO,"InChI=1/C11H26N2O3/c1-11(16)10-13(7-9-15)6-3-2-4-12-5-8-14/h11-12,14-16H,2-10H2,1H3",C11H26N2O3,,,,,,RAFATUXOFHKYRR-UHFFFAOYSA-N,,,,,,,,,,,
100.095.641,305-252-8,94386-30-8,1-hydroxy-5-sulfonatonaphthalene-2-diazonium,6-diazonio-5-hydroxynaphthalene-1-sulfonate,Oc1c(ccc2c(cccc12)S(=O)(=O)[O-])[N+]#N,Oc1c(ccc2c(cccc12)S(=O)(=O)[O-])[N+]#N,"InChI=1/C10H6N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5H,(H-,13,14,15,16)",C10H6N2O4S,,,,,,VJKZIQFVKMUTID-UHFFFAOYSA-N,,,,,,,,,,,
100.095.652,305-264-3,94386-42-2,3-(dichloromethylsilyl)propyl laurate,3-[dichloro(methyl)silyl]propyl laurate,CCCCCCCCCCCC(=O)OCCC[Si](C)(Cl)Cl,CCCCCCCCCCCC(=O)OCCC[Si](C)(Cl)Cl,"InChI=1/C16H32Cl2O2Si/c1-3-4-5-6-7-8-9-10-11-13-16(19)20-14-12-15-21(2,17)18/h3-15H2,1-2H3",C16H32Cl2O2Si,,,,,,DFLLQPWGIZRWCP-UHFFFAOYSA-N,,,,,,,,,,,
100.095.653,305-265-9,94386-43-3,"5-[[1,3-dioxo-3-[4-[(1-oxohexadecyl)amino]phenyl]propyl]amino]isophthalic acid",5-({3-oxo-3-[4-(palmitoylamino)phenyl]propanoyl}amino)isophthalic acid,CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Nc2cc(cc(c2)C(=O)O)C(=O)O,CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Nc2cc(cc(c2)C(=O)O)C(=O)O,"InChI=1/C33H44N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(37)34-27-18-16-24(17-19-27)29(36)23-31(38)35-28-21-25(32(39)40)20-26(22-28)33(41)42/h16-22H,2-15,23H2,1H3,(H,34,37)(H,35,38)(H,39,40)(H,41,42)",C33H44N2O7,,,,,,AZOTVGZNUKURSS-UHFFFAOYSA-N,,,,,,,,,,,
100.095.663,305-276-9,94386-53-5,1-O-[2-hydroxy-3-[oleoylamino]propyl]-D-glucitol,1-O-[2-hydroxy-3-(oleoylamino)propyl]-D-glucitol,CCCCCCCC\\C=C/CCCCCCCC(=O)NCC(O)COC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)NCC(O)COC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C27H53NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(33)28-18-22(30)20-36-21-24(32)27(35)26(34)23(31)19-29/h9-10,22-24,26-27,29-32,34-35H,2-8,11-21H2,1H3,(H,28,33)",C27H53NO8,,,,,,ZPSCSAIKLXAING-GWOKGXJXSA-N,,,,,,,,,,,
100.095.664,305-277-4,94386-55-7,Oct-7-enylsuccinic acid,2-oct-7-en-1-ylsuccinic acid,OC(=O)CC(CCCCCCC=C)C(=O)O,OC(=O)CC(CCCCCCC=C)C(=O)O,"InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h2,10H,1,3-9H2,(H,13,14)(H,15,16)",C12H20O4,,,,,,OFVPQIROYJTTQC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.668,305-282-1,94386-59-1,"2,2'-[1,3,4-thiadiazole-2,5-diylbis(dithio)]bis[4-dodecylphenol]","2,2'-(1,3,4-thiadiazole-2,5-diyldidisulfanediyl)bis(4-dodecylphenol)",CCCCCCCCCCCCc1ccc(O)c(SSc2nnc(SSc3cc(CCCCCCCCCCCC)ccc3O)s2)c1,CCCCCCCCCCCCc1ccc(O)c(SSc2nnc(SSc3cc(CCCCCCCCCCCC)ccc3O)s2)c1,"InChI=1/C38H58N2O2S5/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-33(41)35(29-31)44-46-37-39-40-38(43-37)47-45-36-30-32(26-28-34(36)42)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,41-42H,3-24H2,1-2H3",C38H58N2O2S5,,,,,,PMQMHBDOSZSSTH-UHFFFAOYSA-N,,,,,,,,,,,
100.095.671,305-285-8,94386-62-6,4-vinylcyclohexyl acetate,4-vinylcyclohexyl acetate,CC(=O)OC1CCC(CC1)C=C,CC(=O)OC1CCC(CC1)C=C,"InChI=1/C10H16O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3",C10H16O2,,,,,,OYQZJQGITSAUBC-UHFFFAOYSA-N,,,,,,,,,,,
100.097.350,307-135-7,97552-83-5,Bis[bis(2-hydroxyethyl)ammonium] nitroheptanedioate,bis[2-hydroxy-N-(2-hydroxyethyl)ethanaminium] 2-nitroheptanedioate,OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCCCC(C(=O)[O-])[N+](=O)[O-],OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCCCC(C(=O)[O-])[N+](=O)[O-],"InChI=1/C7H11NO6.2C4H11NO2/c9-6(10)4-2-1-3-5(7(11)12)8(13)14;2*6-3-1-5-2-4-7/h5H,1-4H2,(H,9,10)(H,11,12);2*5-7H,1-4H2",C7H11NO6.2C4H11NO2,,,,,,ZHXMDHABNIPIBE-UHFFFAOYSA-N,,,,,,,,,,,
100.095.565,305-168-1,94349-50-5,"Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulphonate","sodium 1-amino-9,10-dioxo-4-(propionylamino)-9,10-dihydroanthracene-2-sulfonate",[Na+].CCC(=O)Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],[Na+].CCC(=O)Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-],"InChI=1/C17H14N2O6S.Na/c1-2-12(20)19-10-7-11(26(23,24)25)15(18)14-13(10)16(21)8-5-3-4-6-9(8)17(14)22;/h3-7H,2,18H2,1H3,(H,19,20)(H,23,24,25);/q;+1/p-1",C17H14N2O6S.Na,,,,,,JHAHDCPFQOBOIT-UHFFFAOYSA-M,,,,,,,,,,,
100.098.913,308-864-3,98690-31-4,"1,1'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisimidazolidine-2,4-dione","1,1'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]diimidazolidine-2,4-dione",O=C1CN(CCNCCNCCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCNCCNCCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C12H20N6O4/c19-9-7-17(11(21)15-9)5-3-13-1-2-14-4-6-18-8-10(20)16-12(18)22/h13-14H,1-8H2,(H,15,19,21)(H,16,20,22)",C12H20N6O4,,,,,,JWOVHUWSLSYMHT-UHFFFAOYSA-N,,,,,,,,,,,
100.098.916,308-868-5,98690-35-8,"Ammonium (1,3,5,7,9,11,13,15-octamethylhexadecyl)benzenesulphonate","ammonium 2-(1,3,5,7,9,11,13,15-octamethylhexadecyl)benzenesulfonate",[NH4+].CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)c1ccccc1S(=O)(=O)[O-],[NH4+].CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)c1ccccc1S(=O)(=O)[O-],"InChI=1/C30H54O3S.H3N/c1-21(2)14-22(3)15-23(4)16-24(5)17-25(6)18-26(7)19-27(8)20-28(9)29-12-10-11-13-30(29)34(31,32)33;/h10-13,21-28H,14-20H2,1-9H3,(H,31,32,33);1H3",C30H54O3S.xH3N,,,,,,KSMFOTKAFZGMFX-UHFFFAOYSA-N,,,,,,,,,,,
100.095.380,304-965-1,94313-67-4,"1,2-dihydro-5-methyl-3H-pyrazol-3-one hydrazone dihydrochloride","3-hydrazono-5-methyl-2,3-dihydro-1H-pyrazole dihydrochloride",Cl.Cl.NN=C1\\C=C(\\C)NN1,Cl.Cl.NN=C1\C=C(\C)NN1,"InChI=1/C4H8N4.2ClH/c1-3-2-4(6-5)8-7-3;;/h2H,5H2,1H3,(H2,6,7,8);2*1H",C4H8N4.2ClH,,,,,,OXSDGCIUEYBNHT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.381,304-966-7,94313-68-5,Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl oleate,ammonium 2-{[2-(oleoyloxy)propanoyl]oxy}propanoate,[NH4+].CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],[NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],"InChI=1/C24H42O6.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27);1H3",C24H42O6.H3N,,,,,,GWEJFPVHTVFSKI-AFEZEDKISA-N,,,,,,,,,,,
100.095.382,304-967-2,94313-69-6,Potassium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl oleate,potassium 2-{[2-(oleoyloxy)propanoyl]oxy}propanoate,[K+].CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],[K+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],"InChI=1/C24H42O6.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27);/q;+1/p-1",C24H42O6.K,,,,,,YABKNCWCSBZRHX-AFEZEDKISA-M,,,,,,,,,,,
100.095.385,304-970-9,94313-72-1,Potassium 1-carboxylatoethyl oleate,potassium 2-(oleoyloxy)propanoate,[K+].CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-],[K+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-],"InChI=1/C21H38O4.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);/q;+1/p-1",C21H38O4.K,,,,,,PWYPOTKOOMYHCQ-GMFCBQQYSA-M,,,,,,,,,,,
100.097.148,306-913-3,97467-64-6,"3,6,9,12,15,18-hexaoxaicosane-1,20-diyl dioleate","22-oxo-3,6,9,12,15,18,21-heptaoxanonatriacont-30-en-1-yl octadec-9-enoate (non-preferred name)",CCCCCCCC\\C=C/CCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C50H94O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(51)59-47-45-57-43-41-55-39-37-53-35-36-54-38-40-56-42-44-58-46-48-60-50(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-48H2,1-2H3",C50H94O10,,,,,,PCQFPTYKFOPQLP-CLFAGFIQSA-N,,,,,,,,,,,
100.097.151,306-917-5,97467-68-0,4-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]-N-[1-(hydroxyamino)ethylidene]benzamide,"4-{2-[4-(1,3-benzoxazol-2-yl)phenyl]vinyl}-N-[1-(hydroxyamino)ethylidene]benzamide",CC(NO)=NC(=O)c1ccc(cc1)/C=C/c2ccc(cc2)c3nc4ccccc4o3,CC(NO)=NC(=O)c1ccc(cc1)/C=C/c2ccc(cc2)c3nc4ccccc4o3,"InChI=1/C24H19N3O3/c1-16(27-29)25-23(28)19-12-8-17(9-13-19)6-7-18-10-14-20(15-11-18)24-26-21-4-2-3-5-22(21)30-24/h2-15,29H,1H3,(H,25,27,28)",C24H19N3O3,,,,,,INYMGHUWXJJNQM-VOTSOKGWSA-N,,,,,,,,,,,
100.097.152,306-918-0,97467-69-1,"4-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(2-sulphophenyl)azo]naphthalene-1,7-disulphonic acid","4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-5-hydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid",Clc4nc(Nc2ccc(c3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(NCCO)n4,Clc4nc(Nc2ccc(c3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(NCCO)n4,"InChI=1/C21H18ClN7O11S3/c22-19-25-20(23-7-8-30)27-21(26-19)24-12-5-6-13(41(32,33)34)10-9-15(43(38,39)40)17(18(31)16(10)12)29-28-11-3-1-2-4-14(11)42(35,36)37/h1-6,9,30-31H,7-8H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H2,23,24,25,26,27)",C21H18ClN7O11S3,,,,,,RJQAYNHOBBIJMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.100.118,310-204-4,57524-50-2,"2-[(2-aminoethyl)amino]anthraquinone, monohydrochloride","2-[(2-aminoethyl)amino]-9,10-anthraquinone hydrochloride",Cl.NCCNc1ccc2C(=O)c3ccccc3C(=O)c2c1,Cl.NCCNc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C16H14N2O2.ClH/c17-7-8-18-10-5-6-13-14(9-10)16(20)12-4-2-1-3-11(12)15(13)19;/h1-6,9,18H,7-8,17H2;1H",C16H14N2O2.ClH,,,,,,JXVSZMLWYMMWAL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.754,303-175-4,94159-01-0,2-methylheptadecyl methacrylate,2-methylheptadecyl methacrylate,CCCCCCCCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C22H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4)19-24-22(23)20(2)3/h21H,2,5-19H2,1,3-4H3",C22H42O2,,,,,,CIWPQRKLSCWPBV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.758,303-180-1,94159-05-4,"Pentasodium 7-[[4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,5-trisulphonate","pentasodium 7-[(4-{[4-({5-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]-2-sulfonatophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]naphthalene-1,3,5-trisulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4)c(cc5)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4)c(cc5)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O,"InChI=1/C39H26ClN9O17S5.5Na/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51;;;;;/h1-16,42H,41H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,43,44,45,46,47);;;;;/q;5*+1/p-5",C39H26ClN9O17S5.5Na,,,,,,KFRWQMRFNAXWAV-UHFFFAOYSA-I,,,,,,,,,,,
100.093.759,303-181-7,94159-06-5,"1-amino-4-[[3,5-bis[[(chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid","1-amino-4-[(3,5-bis{[(chloroacetyl)amino]methyl}-2,4,6-trimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Cc1c(CNC(=O)CCl)c(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c1CNC(=O)CCl,Cc1c(CNC(=O)CCl)c(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c1CNC(=O)CCl,"InChI=1/C29H28Cl2N4O7S/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42)",C29H28Cl2N4O7S,,,,,,JCMYEBPPMIUWCN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.763,303-185-9,94159-10-1,"Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo-, sodium salt","sodium 2-[(1-{4-[2-(4-{[4-anilino-6-({4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}-2-sulfophenyl)vinyl]-3-sulfophenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-sulfobenzoate",[Na+].OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc4nc(Nc3ccccc3)nc(n4)Nc8ccc(C=Cc5ccc(cc5S(O)(=O)=O)N7/N=C(/C)C(N=Nc6ccc(cc6C([O-])=O)S(O)(=O)=O)C7=O)c(c8)S(O)(=O)=O,[Na+].OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc4nc(Nc3ccccc3)nc(n4)Nc8ccc(C=Cc5ccc(cc5S(O)(=O)=O)N7/N=C(/C)C(N=Nc6ccc(cc6C([O-])=O)S(O)(=O)=O)C7=O)c(c8)S(O)(=O)=O,"InChI=1/C47H36N12O15S3.Na/c1-25-41(57-56-37-19-18-34(75(66,67)68)24-35(37)43(62)63)42(61)59(58-25)33-17-10-27(40(23-33)77(72,73)74)8-7-26-9-11-31(22-39(26)76(69,70)71)50-47-52-45(48-28-5-3-2-4-6-28)51-46(53-47)49-29-12-14-30(15-13-29)54-55-32-16-20-38(60)36(21-32)44(64)65;/h2-24,41,60H,1H3,(H,62,63)(H,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H3,48,49,50,51,52,53);/q;+1/p-1",C47H36N12O15S3.xNa,,,,,,BYLHCRNHTTXIPJ-UHFFFAOYSA-M,,,,,,,,,,,
100.093.765,303-188-5,94159-12-3,1-methylbutyl methacrylate,1-methylbutyl methacrylate,CCCC(C)OC(=O)C(=C)C,CCCC(C)OC(=O)C(=C)C,"InChI=1/C9H16O2/c1-5-6-8(4)11-9(10)7(2)3/h8H,2,5-6H2,1,3-4H3",C9H16O2,,,,,,QSYOAKOOQMVVTO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.767,303-190-6,94159-14-5,1-methylnonyl methacrylate,1-methylnonyl methacrylate,CCCCCCCCC(C)OC(=O)C(=C)C,CCCCCCCCC(C)OC(=O)C(=C)C,"InChI=1/C14H26O2/c1-5-6-7-8-9-10-11-13(4)16-14(15)12(2)3/h13H,2,5-11H2,1,3-4H3",C14H26O2,,,,,,WFBABIZEXSULPX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.771,303-194-8,94159-18-9,"Sebacic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:1)","decanedioic acid - 1,3,5-triazine-2,4,6-triamine (1:1)",Nc1nc(N)nc(N)n1.OC(=O)CCCCCCCCC(=O)O,Nc1nc(N)nc(N)n1.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C3H6N6/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;4-1-7-2(5)9-3(6)8-1/h1-8H2,(H,11,12)(H,13,14);(H6,4,5,6,7,8,9)",C10H18O4.C3H6N6,,,,,,YRNURYHCEJJLHP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.780,303-205-6,94159-27-0,"(2-hydroxyethyl)dimethyl[3-[[(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)carbonyl]amino]propyl]ammonium chloride","N-(2-hydroxyethyl)-N,N-dimethyl-3-{[(3-oxo-3H-benzo[f]chromen-2-yl)carbonyl]amino}propan-1-aminium chloride",[Cl-].C[N+](C)(CCO)CCCNC(=O)C1=Cc2c(OC1=O)ccc3ccccc23,[Cl-].C[N+](C)(CCO)CCCNC(=O)C1=Cc2c(OC1=O)ccc3ccccc23,"InChI=1/C21H24N2O4.ClH/c1-23(2,12-13-24)11-5-10-22-20(25)18-14-17-16-7-4-3-6-15(16)8-9-19(17)27-21(18)26;/h3-4,6-9,14,24H,5,10-13H2,1-2H3;1H",C21H25N2O4.Cl,,,,,,VBYAGSJMNYXFCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.783,303-208-2,94159-30-5,2-(4-methylthiazol-5-yl)ethyl valerate,"2-(4-methyl-1,3-thiazol-5-yl)ethyl valerate",CCCCC(=O)OCCc1scnc1C,CCCCC(=O)OCCc1scnc1C,"InChI=1/C11H17NO2S/c1-3-4-5-11(13)14-7-6-10-9(2)12-8-15-10/h8H,3-7H2,1-2H3",C11H17NO2S,,,,,,YCFURYOJKUTCOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.178,287-126-1,85409-56-9,"2,4-dihydro-4-[(4-methoxy-2-nitrophenyl)azo]-1-[2-methoxy-5-[[2-(propionyloxy)ethyl]sulphonyl]phenyl]-5-methyl-3H-pyrazol-3-one",2-[(4-methoxy-3-{4-[(4-methoxy-2-nitrophenyl)diazenyl]-5-methyl-3-oxopyrazolidin-1-yl}phenyl)sulfonyl]ethyl propionate,CCC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3NC(=O)C(N=Nc2ccc(OC)cc2[N+]([O-])=O)C3C,CCC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3NC(=O)C(N=Nc2ccc(OC)cc2[N+]([O-])=O)C3C,"InChI=1/C23H27N5O9S/c1-5-21(29)37-10-11-38(33,34)16-7-9-20(36-4)19(13-16)27-14(2)22(23(30)26-27)25-24-17-8-6-15(35-3)12-18(17)28(31)32/h6-9,12-14,22H,5,10-11H2,1-4H3,(H,26,30)",C23H25N5O9S,,,,,,ILPRZRUGQLMRDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.884,289-004-3,85959-14-4,"2-(phenylmethyl)[1,1'-biphenyl]-4-ol",2-benzylbiphenyl-4-ol,Oc1ccc(c(Cc2ccccc2)c1)c3ccccc3,Oc1ccc(c(Cc2ccccc2)c1)c3ccccc3,"InChI=1/C19H16O/c20-18-11-12-19(16-9-5-2-6-10-16)17(14-18)13-15-7-3-1-4-8-15/h1-12,14,20H,13H2",C19H16O,,,,,,RVZWRZSXBTVZIE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.888,289-009-0,85959-18-8,3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride,"3-(3-amino-3-oxopropyl)-2-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-6-ethoxy-1,3-benzothiazol-3-ium chloride",[Cl-].NC(=O)CC[n+]3c4ccc(cc4sc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)OCC,[Cl-].NC(=O)CC[n+]3c4ccc(cc4sc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)OCC,"InChI=1/C27H29N5O2S.ClH/c1-3-31(19-20-8-6-5-7-9-20)22-12-10-21(11-13-22)29-30-27-32(17-16-26(28)33)24-15-14-23(34-4-2)18-25(24)35-27;/h5-15,18H,3-4,16-17,19H2,1-2H3,(H-,28,33);1H",C27H30N5O2S.Cl,,,,,,BPTWPFQNQNJDFN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.889,289-010-6,85959-19-9,1-[(2-ethylhexyl)amino]-4-[(3-methylbutyl)amino]anthraquinone,"1-[(2-ethylhexyl)amino]-4-[(3-methylbutyl)amino]-9,10-anthraquinone",CCCCC(CC)CNc1ccc(NCCC(C)C)c2C(=O)c3ccccc3C(=O)c12,CCCCC(CC)CNc1ccc(NCCC(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C27H36N2O2/c1-5-7-10-19(6-2)17-29-23-14-13-22(28-16-15-18(3)4)24-25(23)27(31)21-12-9-8-11-20(21)26(24)30/h8-9,11-14,18-19,28-29H,5-7,10,15-17H2,1-4H3",C27H36N2O2,,,,,,PYYYAKHJCLDAGG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.891,289-012-7,85959-21-3,"Disodium 5-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 5-({2,4-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3cc(ccc3O)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3cc(ccc3O)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C28H18N8O14S2.2Na/c37-21-7-5-16(36(43)44)11-19(21)31-34-26-23(52(48,49)50)10-13-9-17(51(45,46)47)12-20(24(13)28(26)40)32-30-18-6-8-22(38)25(27(18)39)33-29-14-1-3-15(4-2-14)35(41)42;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C28H18N8O14S2.2Na,,,,,,NOGIWMLTVGJABF-UHFFFAOYSA-L,,,,,,,,,,,
100.080.896,289-017-4,85959-26-8,"2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl]azo]phenyl]amino]-5-nitrobenzenesulphonic acid","2-({4-[(2-amino-4-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-nitrophenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonic acid",[O-][N+](=O)c5ccc(Nc1ccc(cc1)N=Nc2cc([N+]([O-])=O)c(cc2N)N=NC4C(\\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)c(c5)S(O)(=O)=O,[O-][N+](=O)c5ccc(Nc1ccc(cc1)N=Nc2cc([N+]([O-])=O)c(cc2N)N=NC4C(\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)c(c5)S(O)(=O)=O,"InChI=1/C28H22N10O11S2/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49/h2-14,27,30H,29H2,1H3,(H,44,45,46)(H,47,48,49)",C28H22N10O11S2,,,,,,XJQHTSDHQKFAMT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.905,289-027-9,85959-35-9,3-[[4-[[4-[ethyl[(4-sulphophenyl)methyl]amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonic acid,3-{[4-({4-[ethyl(4-sulfobenzyl)amino]phenyl}diazenyl)-1-naphthyl]diazenyl}benzenesulfonic acid,OS(=O)(=O)c1ccc(cc1)CN(CC)c2ccc(cc2)N=Nc5ccc(N=Nc3cccc(c3)S(O)(=O)=O)c4ccccc45,OS(=O)(=O)c1ccc(cc1)CN(CC)c2ccc(cc2)N=Nc5ccc(N=Nc3cccc(c3)S(O)(=O)=O)c4ccccc45,"InChI=1/C31H27N5O6S2/c1-2-36(21-22-10-16-26(17-11-22)43(37,38)39)25-14-12-23(13-15-25)32-34-30-18-19-31(29-9-4-3-8-28(29)30)35-33-24-6-5-7-27(20-24)44(40,41)42/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42)",C31H27N5O6S2,,,,,,HHPJBJQLUFRROB-UHFFFAOYSA-N,,,,,,,,,,,
100.080.908,289-031-0,85959-38-2,4-[[1-[[(4-chloro-o-tolyl)amino]carbonyl]-2-oxopropyl]azo]-N-[4-[[1-[[(4-chloro-o-tolyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]benzamide,4-({1-[(4-chloro-2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)-N-[4-({1-[(4-chloro-2-methylphenyl)carbamoyl]-2-oxopropyl}diazenyl)phenyl]benzamide,Clc4cc(C)c(NC(=O)C(N=Nc3ccc(NC(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(Cl)cc1C)cc2)cc3)C(C)=O)cc4,Clc4cc(C)c(NC(=O)C(N=Nc3ccc(NC(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(Cl)cc1C)cc2)cc3)C(C)=O)cc4,"InChI=1/C35H31Cl2N7O5/c1-19-17-24(36)7-15-29(19)39-34(48)31(21(3)45)43-41-27-9-5-23(6-10-27)33(47)38-26-11-13-28(14-12-26)42-44-32(22(4)46)35(49)40-30-16-8-25(37)18-20(30)2/h5-18,31-32H,1-4H3,(H,38,47)(H,39,48)(H,40,49)",C35H31Cl2N7O5,,,,,,MLAZNTLPLAACNH-UHFFFAOYSA-N,,,,,,,,,,,
100.080.911,289-034-7,85959-41-7,Strontium bis(5-oxo-DL-prolinate),strontium bis(5-oxopyrrolidine-2-carboxylate),[Sr+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[Sr+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.Sr/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2",C5H7NO3.1/2Sr,,,,,,MCUOJRSXUUTWDJ-QHTZZOMLSA-L,,,,,,,,,,,
100.080.912,289-035-2,85959-42-8,Strontium bis(5-oxo-L-prolinate),strontium bis(5-oxopyrrolidine-2-carboxylate),[Sr+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,[Sr+2].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2,"InChI=1/2C5H7NO3.Sr/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2",C5H7NO3.1/2Sr,,,,,,MCUOJRSXUUTWDJ-QHTZZOMLSA-L,,,,,,,,,,,
100.095.673,305-287-9,94386-64-8,trans-3-vinylcyclohexyl acetate,3-vinylcyclohexyl acetate,CC(=O)O[C@H]1CCC[C@@H](C1)C=C,CC(=O)O[C@H]1CCC[C@@H](C1)C=C,"InChI=1/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3",C10H16O2,,,,,,MFFQZYIDSYOHOP-UWVGGRQHSA-N,,,,,,,,,,,
100.095.677,305-292-6,94405-96-6,"Methyl 5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-dec-3-ulosonate","methyl 5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-dec-3-ulosonate",COC(=O)CC(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,COC(=O)CC(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1/C11H18O8/c1-18-8(14)3-5(13)2-6-9(15)11(17)10(16)7(4-12)19-6/h6-7,9-12,15-17H,2-4H2,1H3",C11H18O8,,,,,,XLUDPIYTXVEGSE-FZHDAFOHSA-N,,,,,,,,,,,
100.094.484,303-980-0,94232-52-7,Neodymium(3+) decanoate,neodymium tridecanoate,[Nd+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Nd+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/3C10H20O2.Nd/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3",C10H20O2.1/3Nd,,,,,,ACOLQZDYRBEHEV-UHFFFAOYSA-K,,,,,,,,,,,
100.094.485,303-981-6,94232-53-8,Cerium(4+) decanoate,cerium(4+) myristate,[Ce+4].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Ce+4].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/4C10H20O2.Ce/c4*1-2-3-4-5-6-7-8-9-10(11)12;/h4*2-9H2,1H3,(H,11,12);/q;;;;+4/p-4",C10H20O2.1/4Ce,,,,,,BKMAAXQYLJDFGD-UHFFFAOYSA-J,,,,,,,,,,,
100.094.486,303-982-1,94232-54-9,Cerium(3+) acrylate,cerium(3+) triacrylate,[Ce+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Ce+3].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/3C3H4O2.Ce/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3",C3H4O2.1/3Ce,,,,,,ZLHYQQUHFATESX-UHFFFAOYSA-K,,,,,,,,,,,
100.094.487,303-983-7,94232-55-0,Cerium(4+) acrylate,cerium(4+) tetraacrylate,[Ce+4].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,[Ce+4].[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/4C3H4O2.Ce/c4*1-2-3(4)5;/h4*2H,1H2,(H,4,5);/q;;;;+4/p-4",C3H4O2.1/4Ce,,,,,,PKFDXXILXGASLT-UHFFFAOYSA-J,,,,,,,,,,,
100.093.625,303-034-7,94139-18-1,Sucrose hexastearate,"1,3,4-tri-O-stearoyl-beta-D-fructofuranosyl 2,3,4-tri-O-stearoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C120H226O17/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-108(123)129-105-120(118(135-113(128)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)115(107(104-122)136-120)132-110(125)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)137-119-117(134-112(127)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)116(133-111(126)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)114(106(103-121)130-119)131-109(124)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h106-107,114-119,121-122H,7-105H2,1-6H3",C120H226O17,,,,,,YMKWELBQDFUMAS-WDTUOMDDSA-N,,,,,,,,,,,
100.093.629,303-038-9,94139-23-8,Sodium 2-acetamidoethyl thiosulphate,sodium O-(2-acetamidoethyl) thiosulfate,[Na+].CC(=O)NCCOS(=O)(=O)[S-],[Na+].CC(=O)NCCOS(=O)(=O)[S-],"InChI=1/C4H9NO4S2.Na/c1-4(6)5-2-3-9-11(7,8)10;/h2-3H2,1H3,(H,5,6)(H,7,8,10);/q;+1/p-1",C4H9NO4S2.Na,,,,,,NVDIDAMCFCMSPA-UHFFFAOYSA-M,,,,,,,,,,,
100.099.732,309-777-3,101012-78-6,Ammonium 2-carboxylatopropyl methacrylate,ammonium 3-(methacryloyloxy)-2-methylpropanoate,[NH4+].CC(COC(=O)C(=C)C)C(=O)[O-],[NH4+].CC(COC(=O)C(=C)C)C(=O)[O-],"InChI=1/C8H12O4.H3N/c1-5(2)8(11)12-4-6(3)7(9)10;/h6H,1,4H2,2-3H3,(H,9,10);1H3",C8H12O4.H3N,,,,,,RENALCKMFGIEAM-UHFFFAOYSA-N,,,,,,,,,,,
100.099.733,309-778-9,101012-79-7,"1-(3,3,5-trimethyl-1-cyclohexen-1-yl)-4-[3-[1-(3,5,5-trimethyl-1-cyclohexen-1-yl)-4-piperidyl]propyl]piperidine","1-(3,3,5-trimethylcyclohex-1-en-1-yl)-4-{3-[1-(3,5,5-trimethylcyclohex-1-en-1-yl)piperidin-4-yl]propyl}piperidine",CC1CC(=CC(C)(C)C1)N2CCC(CCCC3CCN(CC3)C4=CC(C)CC(C)(C)C4)CC2,CC1CC(=CC(C)(C)C1)N2CCC(CCCC3CCN(CC3)C4=CC(C)CC(C)(C)C4)CC2,"InChI=1/C31H54N2/c1-24-18-28(22-30(3,4)20-24)32-14-10-26(11-15-32)8-7-9-27-12-16-33(17-13-27)29-19-25(2)21-31(5,6)23-29/h18,23-27H,7-17,19-22H2,1-6H3",C31H54N2,,,,,,VKJSOXIMYQSXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.099.735,309-781-5,101012-81-1,3-(diethylamino)phenol hydrochloride,3-(diethylamino)phenol hydrochloride,Cl.CCN(CC)c1cccc(O)c1,Cl.CCN(CC)c1cccc(O)c1,"InChI=1/C10H15NO.ClH/c1-3-11(4-2)9-6-5-7-10(12)8-9;/h5-8,12H,3-4H2,1-2H3;1H",C10H15NO.ClH,,,,,,HSMSOJYADPIIFF-UHFFFAOYSA-N,,,,,,,,,,,
100.099.738,309-784-1,101012-84-4,Diammonium isobutyl phosphate,diammonium isobutyl phosphate,[NH4+].[NH4+].CC(C)COP(=O)([O-])[O-],[NH4+].[NH4+].CC(C)COP(=O)([O-])[O-],"InChI=1/C4H11O4P.2H3N/c1-4(2)3-8-9(5,6)7;;/h4H,3H2,1-2H3,(H2,5,6,7);2*1H3",C4H11O4P.2H3N,,,,,,HGDPIEFLPLJBOT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.644,303-055-1,94157-87-6,(butyl)[2-(diethylammonio)ethyl](1-naphthoyl)ammonium hydrogen citrate,"N-butyl-N',N'-diethyl-N-1-naphthoylethane-1,2-diaminium hydrogen citrate",CCCC[NH+](CC[NH+](CC)CC)C(=O)c1cccc2ccccc12.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CCCC[NH+](CC[NH+](CC)CC)C(=O)c1cccc2ccccc12.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C21H30N2O.C6H8O7/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-14H,4-7,15-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1",C21H30N2O.C6H8O7,,,,,,ROPZWLPGYFZSSN-UHFFFAOYSA-M,,,,,,,,,,,
100.100.128,310-215-4,130032-94-9,"Disodium 5-[[(2-carboxyphenyl)amino]sulfonyl]-2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate","disodium 5-[[(2-carboxyphenyl)amino]sulfonyl]-2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate",[Na+].[Na+].OC(=O)c4ccccc4NS(=O)(=O)c3ccc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(c3)C([O-])=O.OC(=O)c4ccccc4NS(=O)(=O)c3ccc(N=NC2C(\\C)=N/N(c1ccccc1)C2=O)c(c3)C([O-])=O,[Na+].[Na+].OC(=O)c4ccccc4NS(=O)(=O)c3ccc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(c3)C([O-])=O.OC(=O)c4ccccc4NS(=O)(=O)c3ccc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(c3)C([O-])=O,"InChI=1/2C24H19N5O7S.2Na/c2*1-14-21(22(30)29(27-14)15-7-3-2-4-8-15)26-25-19-12-11-16(13-18(19)24(33)34)37(35,36)28-20-10-6-5-9-17(20)23(31)32;;/h2*2-13,21,28H,1H3,(H,31,32)(H,33,34);;/q;;2*+1/p-2",C24H19N5O7S.2Na,,,,,,ABOHIUCAPFUDPP-UHFFFAOYSA-L,,,,,,,,,,,
100.095.400,304-987-1,94313-87-8,N-(3-chloropropyl)-3-methoxy-N-methylphenethylamine,3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropan-1-amine,COc1cccc(CCN(C)CCCCl)c1,COc1cccc(CCN(C)CCCCl)c1,"InChI=1/C13H20ClNO/c1-15(9-4-8-14)10-7-12-5-3-6-13(11-12)16-2/h3,5-6,11H,4,7-10H2,1-2H3",C13H20ClNO,,,,,,JNMDLBJXCBDOME-UHFFFAOYSA-N,,,,,,,,,,,
100.095.404,304-991-3,94313-92-5,Bis[2-hydroxy-3-[(1-oxooctadec-9-enyl)oxy]propyl] adipate,bis[2-hydroxy-3-(oleoyloxy)propyl] adipate,O=C(OCC(O)COC(=O)CCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC,O=C(OCC(O)COC(=O)CCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC,"InChI=1/C48H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-45(51)55-39-43(49)41-57-47(53)37-33-34-38-48(54)58-42-44(50)40-56-46(52)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44,49-50H,3-16,21-42H2,1-2H3",C48H86O10,,,,,,ARLXGBZNBMODOR-UHFFFAOYSA-N,,,,,,,,,,,
100.095.405,304-992-9,94313-93-6,1-[4-(1-methyl-1-phenylethyl)phenoxy]dodecan-2-ol,1-[4-(1-methyl-1-phenylethyl)phenoxy]dodecan-2-ol,CCCCCCCCCCC(O)COc1ccc(cc1)C(C)(C)c2ccccc2,CCCCCCCCCCC(O)COc1ccc(cc1)C(C)(C)c2ccccc2,"InChI=1/C27H40O2/c1-4-5-6-7-8-9-10-14-17-25(28)22-29-26-20-18-24(19-21-26)27(2,3)23-15-12-11-13-16-23/h11-13,15-16,18-21,25,28H,4-10,14,17,22H2,1-3H3",C27H40O2,,,,,,VVSMIUNECPKPEV-UHFFFAOYSA-N,,,,,,,,,,,
100.095.411,304-999-7,94313-99-2,"Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","hexadecyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",CCCCCCCCCCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1,CCCCCCCCCCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C21H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(25)18-17-19(24)23-21(26)22-18/h17H,2-16H2,1H3,(H2,22,23,24,26)",C21H36N2O4,,,,,,GKFRQFYVSXXTFY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.412,305-000-7,94314-00-8,"O-methyl-L-cysteine 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid - methyl L-cysteinate (1:1)",COC(=O)[C@@H](N)CS.OC(=O)C1=CC(=O)NC(=O)N1,COC(=O)[C@@H](N)CS.OC(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C5H4N2O4.C4H9NO2S/c8-3-1-2(4(9)10)6-5(11)7-3;1-7-4(6)3(5)2-8/h1H,(H,9,10)(H2,6,7,8,11);3,8H,2,5H2,1H3",C5H4N2O4.C4H9NO2S,,,,,,ZVCBBVSXQDAGFX-HVDRVSQOSA-N,,,,,,,,,,,
100.095.415,305-003-3,94314-04-2,4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium tetrachlorozincate (2:1),bis{4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium} tetrachlorozincate(2-),CCN(CCO)c1ccc(cc1C)[N+]#N.CCN(CCO)c2ccc(cc2C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCN(CCO)c1ccc(cc1C)[N+]#N.CCN(CCO)c2ccc(cc2C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C11H16N3O.4ClH.Zn/c2*1-3-14(6-7-15)11-5-4-10(13-12)8-9(11)2;;;;;/h2*4-5,8,15H,3,6-7H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H16N3O.Cl4Zn/c2*1-3-14(6-7-15)11-5-4-10(13-12)8-9(11)2;1-5(2,3)4/h2*4-5,8,15H,3,6-7H2,1-2H3;/q2*+1;-2",C11H16N3O.1/2Cl4Zn,,,,,,UDIXYCKLYUJJPQ-UHFFFAOYSA-J,,,,,,,,,,,
100.095.422,305-011-7,94333-34-3,Octyl L-cysteinate hydrochloride,octyl L-cysteinate hydrochloride,Cl.CCCCCCCCOC(=O)[C@@H](N)CS,Cl.CCCCCCCCOC(=O)[C@@H](N)CS,"InChI=1/C11H23NO2S.ClH/c1-2-3-4-5-6-7-8-14-11(13)10(12)9-15;/h10,15H,2-9,12H2,1H3;1H",C11H23NO2S.ClH,,,,,,HVUOVEPPHLYCKA-PPHPATTJSA-N,,,,,,,,,,,
100.095.427,305-016-4,94333-39-8,"Tin 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)","tin 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)",[Sn].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2,[Sn].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2,"InChI=1/2C5H4N2O4.Sn.2H/c2*8-3-1-2(4(9)10)6-5(11)7-3;;;/h2*1H,(H,9,10)(H2,6,7,8,11);;;/q;;+4;;/p-2/r2C5H4N2O4.H2Sn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);1H2/q;;+4/p-2",C5H4N2O4.1/2Sn,,,,,,OVXINTVCUWQBNF-UHFFFAOYSA-L,,,,,,,,,,,
100.095.448,305-040-5,94333-60-5,"1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-proline, compound with piperidine (1:1)",1-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-proline - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CCC[C@H]3C(=O)O.C4CCNCC4,CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CCC[C@H]3C(=O)O.C4CCNCC4,"InChI=1/C17H20N2O4S.C5H11N/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21;1-2-4-6-5-3-1/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21);6H,1-5H2",C17H20N2O4S.C5H11N,,,,,,XIAWABGWHRCFHB-RSAXXLAASA-N,,,,,,,,,,,
100.100.186,310-279-3,140697-64-9,8-hydroxytridecanenitrile,8-hydroxytridecanenitrile,CCCCCC(O)CCCCCCC#N,CCCCCC(O)CCCCCCC#N,"InChI=1/C13H25NO/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14/h13,15H,2-11H2,1H3",C13H25NO,,,,,,WPFBSIXJAMOLOR-UHFFFAOYSA-N,,,,,,,,,,,
100.097.006,306-757-6,97403-94-6,"N,N-diethyl-2,3,3-trifluoroacrylamide","N,N-diethyl-2,3,3-trifluoroacrylamide",CCN(CC)C(=O)C(=C(F)F)F,CCN(CC)C(=O)C(=C(F)F)F,"InChI=1/C7H10F3NO/c1-3-11(4-2)7(12)5(8)6(9)10/h3-4H2,1-2H3",C7H10F3NO,,,,,,SFVAUJPSCBBWBL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.786,303-211-9,94159-33-8,"1-(2,2-diethoxyethoxy)-4-(1,1-dimethylpropyl)benzene","1-(2,2-diethoxyethoxy)-4-(1,1-dimethylpropyl)benzene",CCOC(COc1ccc(cc1)C(C)(C)CC)OCC,CCOC(COc1ccc(cc1)C(C)(C)CC)OCC,"InChI=1/C17H28O3/c1-6-17(4,5)14-9-11-15(12-10-14)20-13-16(18-7-2)19-8-3/h9-12,16H,6-8,13H2,1-5H3",C17H28O3,,,,,,CFAFOHRNOPBXBY-UHFFFAOYSA-N,,,,,,,,,,,
100.093.789,303-215-0,94159-36-1,2-hydroxy-1-(hydroxymethyl)ethyl bromoacetate,2-hydroxy-1-(hydroxymethyl)ethyl bromoacetate,OCC(CO)OC(=O)CBr,OCC(CO)OC(=O)CBr,"InChI=1/C5H9BrO4/c6-1-5(9)10-4(2-7)3-8/h4,7-8H,1-3H2",C5H9BrO4,,,,,,VMINURGQAACCBR-UHFFFAOYSA-N,,,,,,,,,,,
100.094.781,304-305-2,94248-33-6,2-iodoquinolinediyl diacetate,"2-iodo-1,2-dihydroquinoline-2,3-diyl diacetate",CC(=O)OC1=Cc2ccccc2NC1(I)OC(=O)C,CC(=O)OC1=Cc2ccccc2NC1(I)OC(=O)C,"InChI=1/C13H12INO4/c1-8(16)18-12-7-10-5-3-4-6-11(10)15-13(12,14)19-9(2)17/h3-7,15H,1-2H3",C13H10INO4,,,,,,XCBKWQJGTXRLCH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.782,304-306-8,94248-34-7,Methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate,"methyl 2-{[(1,2,2-trimethylcyclohex-3-en-1-yl)methylene]amino}benzoate",COC(=O)c2ccccc2N=CC1(C)CC\\C=C/C1(C)C,COC(=O)c2ccccc2N=CC1(C)CC\C=C/C1(C)C,"InChI=1/C18H23NO2/c1-17(2)11-7-8-12-18(17,3)13-19-15-10-6-5-9-14(15)16(20)21-4/h5-7,9-11,13H,8,12H2,1-4H3",C18H23NO2,,,,,,ZEIURLXALIRALL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.788,304-313-6,94248-41-6,(hexadecyl)icosyl methacrylate,"1,1,2,2,3,3-hexakis(decyl)icosyl methacrylate",CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)OC(=O)C(=C)C,CCCCCCCCCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)OC(=O)C(=C)C,"InChI=1/C84H166O2/c1-10-17-24-31-38-45-46-47-48-49-50-51-54-61-68-75-82(73-66-59-52-39-32-25-18-11-2,74-67-60-53-40-33-26-19-12-3)83(76-69-62-55-41-34-27-20-13-4,77-70-63-56-42-35-28-21-14-5)84(86-81(85)80(8)9,78-71-64-57-43-36-29-22-15-6)79-72-65-58-44-37-30-23-16-7/h8,10-79H2,1-7,9H3",C40H78O2,,,,,,SDIYUEQUIQXIMK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.791,304-316-2,94248-44-9,Lithium 2-methylnaphthalenesulphonate,lithium 2-methylnaphthalene-1-sulfonate,[Li+].Cc1ccc2ccccc2c1S(=O)(=O)[O-],[Li+].Cc1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C11H10O3S.Li/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1",C11H10O3S.Li,,,,,,AEHJRYDHBZWJJS-UHFFFAOYSA-M,,,,,,,,,,,
100.094.794,304-319-9,94248-47-2,Lithium (1-methylethyl)naphthalenesulphonate,lithium 2-isopropylnaphthalene-1-sulfonate,[Li+].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-],[Li+].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-],"InChI=1/C13H14O3S.Li/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h3-9H,1-2H3,(H,14,15,16);/q;+1/p-1",C13H14O3S.Li,,,,,,YHVYBRSWPZLBKP-UHFFFAOYSA-M,,,,,,,,,,,
100.095.126,304-684-4,94277-99-3,Tripotassium hydrogen [(butylimino)bis(methylene)]bisphosphonate,tripotassium hydrogen [(butylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.3K/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-4",C6H17NO6P2.3K,,,,,,TXIHKDNXBKFLIF-UHFFFAOYSA-J,,,,,,,,,,,
100.095.133,304-692-8,94278-06-5,Tetrapotassium [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,tetrapotassium [(isopropylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.4K/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4",C5H15NO6P2.4K,,,,,,QMSDGXPEKHUQGY-UHFFFAOYSA-J,,,,,,,,,,,
100.095.140,304-701-5,94278-13-4,2-methoxyethyl docosanoate,2-methoxyethyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC,"InChI=1/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(26)28-24-23-27-2/h3-24H2,1-2H3",C25H50O3,,,,,,UKUZOKUATMVQAC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.150,304-712-5,94278-23-6,3-(boronooxy)-2-hydroxypropyl stearate,3-[(dihydroxyboryl)oxy]-2-hydroxypropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COB(O)O,CCCCCCCCCCCCCCCCCC(=O)OCC(O)COB(O)O,"InChI=1/C21H43BO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)27-18-20(23)19-28-22(25)26/h20,23,25-26H,2-19H2,1H3",C21H43BO6,,,,,,QCJDCAOQAWDHMG-UHFFFAOYSA-N,,,,,,,,,,,
100.095.157,304-719-3,94278-30-5,1-[6-ethyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethan-1-one,1-[6-ethyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]ethanone,CCC1CC(=CCC1C(=O)C)CCC=C(C)C,CCC1CC(=CCC1C(=O)C)CCC=C(C)C,"InChI=1/C16H26O/c1-5-15-11-14(8-6-7-12(2)3)9-10-16(15)13(4)17/h7,9,15-16H,5-6,8,10-11H2,1-4H3",C16H26O,,,,,,OLSRXZWBBOJSGK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.159,304-721-4,94278-32-7,5-[4-isopropyl-1-cyclohexen-1-yl]pent-4-en-1-ol,5-(4-isopropylcyclohex-1-en-1-yl)pent-4-en-1-ol,CC(C)C1C\\C=C(\\C=CCCCO)CC1,CC(C)C1C\C=C(\C=CCCCO)CC1,"InChI=1/C14H24O/c1-12(2)14-9-7-13(8-10-14)6-4-3-5-11-15/h4,6-7,12,14-15H,3,5,8-11H2,1-2H3",C14H24O,,,,,,MOUSWGFJEQDFJB-UHFFFAOYSA-N,,,,,,,,,,,
100.079.179,287-127-7,85409-57-0,1-(butylamino)-4-[(3-methylbutyl)amino]anthraquinone,"1-(butylamino)-4-[(3-methylbutyl)amino]-9,10-anthraquinone",CCCCNc1ccc(NCCC(C)C)c2C(=O)c3ccccc3C(=O)c12,CCCCNc1ccc(NCCC(C)C)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C23H28N2O2/c1-4-5-13-24-18-10-11-19(25-14-12-15(2)3)21-20(18)22(26)16-8-6-7-9-17(16)23(21)27/h6-11,15,24-25H,4-5,12-14H2,1-3H3",C23H28N2O2,,,,,,UAWLYFQIAWYUDA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.185,287-134-5,85409-63-8,"4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bis(benzenesulphonic) acid","4,4'-[(4,6-dihydroxy-1,3-phenylene)didiazene-2,1-diyl]dibenzenesulfonic acid",Oc2cc(O)c(cc2N=Nc1ccc(cc1)S(O)(=O)=O)N=Nc3ccc(cc3)S(O)(=O)=O,Oc2cc(O)c(cc2N=Nc1ccc(cc1)S(O)(=O)=O)N=Nc3ccc(cc3)S(O)(=O)=O,"InChI=1/C18H14N4O8S2/c23-17-10-18(24)16(22-20-12-3-7-14(8-4-12)32(28,29)30)9-15(17)21-19-11-1-5-13(6-2-11)31(25,26)27/h1-10,23-24H,(H,25,26,27)(H,28,29,30)",C18H14N4O8S2,,,,,,XOGMFYTYDBUIQF-UHFFFAOYSA-N,,,,,,,,,,,
100.079.186,287-135-0,85409-64-9,"2-[[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]azo]-4-nitrophenol","4-nitro-2-{[(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]diazenyl}phenol",[O-][N+](=O)c3cc(N=NC=C2N(C)c1ccccc1C2(C)C)c(O)cc3,[O-][N+](=O)c3cc(N=NC=C2N(C)c1ccccc1C2(C)C)c(O)cc3,"InChI=1/C18H18N4O3/c1-18(2)13-6-4-5-7-15(13)21(3)17(18)11-19-20-14-10-12(22(24)25)8-9-16(14)23/h4-11,23H,1-3H3",C18H18N4O3,,,,,,AUHGAASRWDDCDD-UHFFFAOYSA-N,,,,,,,,,,,
100.079.197,287-147-6,85409-76-3,2-butoxy-1-methylethyl acetate,2-butoxy-1-methylethyl acetate,CCCCOCC(C)OC(=O)C,CCCCOCC(C)OC(=O)C,"InChI=1/C9H18O3/c1-4-5-6-11-7-8(2)12-9(3)10/h8H,4-7H2,1-3H3",C9H18O3,,,,,,FUWDFGKRNIDKAE-UHFFFAOYSA-N,,,,,,,,,,,
100.079.201,287-151-8,85409-80-9,"2,4,6-tris[(dimethylamino)methyl]phenol monoacetate","2,4,6-tris[(dimethylamino)methyl]phenol acetate (salt)",CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.CC(=O)O,CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.CC(=O)O,"InChI=1/C15H27N3O.C2H4O2/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;1-2(3)4/h7-8,19H,9-11H2,1-6H3;1H3,(H,3,4)",C15H27N3O.C2H4O2,,,,,,NSSNYIULMLAKQW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.203,287-153-9,85409-82-1,"Octahydro-1,6-bis(hydroxymethyl)-4,7-methano-1H-indene-2,5-diyl diacrylate","1,6-bis(hydroxymethyl)octahydro-1H-4,7-methanoindene-2,5-diyl bisacrylate",OCC1C(CC2C3CC(C(CO)C3OC(=O)C=C)C12)OC(=O)C=C,OCC1C(CC2C3CC(C(CO)C3OC(=O)C=C)C12)OC(=O)C=C,"InChI=1/C18H24O6/c1-3-15(21)23-14-6-10-11-5-9(17(10)13(14)8-20)12(7-19)18(11)24-16(22)4-2/h3-4,9-14,17-20H,1-2,5-8H2",C18H24O6,,,,,,AEOOKQQYROTMQW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.205,287-156-5,85409-84-3,8-methylnonyl phenylmethyl phthalate,benzyl 8-methylnonyl phthalate,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,"InChI=1/C25H32O4/c1-20(2)13-7-4-3-5-12-18-28-24(26)22-16-10-11-17-23(22)25(27)29-19-21-14-8-6-9-15-21/h6,8-11,14-17,20H,3-5,7,12-13,18-19H2,1-2H3",C25H32O4,,,,,,JEDQSFKWKKVGLW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.206,287-157-0,85409-85-4,Isopropylammonium octyl sulphate,propan-2-aminium octyl sulfate,CCCCCCCCOS(=O)(=O)[O-].CC(C)[NH3+],CCCCCCCCOS(=O)(=O)[O-].CC(C)[NH3+],"InChI=1/C8H18O4S.C3H9N/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3(2)4/h2-8H2,1H3,(H,9,10,11);3H,4H2,1-2H3",C8H18O4S.C3H9N,,,,,,KRNUWJNZKLTDFC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.210,287-161-2,85409-89-8,Calcium bis(butylnaphthalenesulphonate),calcium bis(2-butylnaphthalene-1-sulfonate),[Ca+2].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCc3ccc4ccccc4c3S(=O)(=O)[O-],[Ca+2].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCc3ccc4ccccc4c3S(=O)(=O)[O-],"InChI=1/2C14H16O3S.Ca/c2*1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h2*4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;;+2/p-2",C14H16O3S.1/2Ca,,,,,,XZYVVRNVJHDYBH-UHFFFAOYSA-L,,,,,,,,,,,
100.080.918,289-042-0,85959-48-4,5-[[4-[[[4-[(7-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid,5-{[4-({4-[(7-amino-1-hydroxy-3-sulfo-2-naphthyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-2-hydroxybenzoic acid,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S(O)(=O)=O)cc5,O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S(O)(=O)=O)cc5,"InChI=1/C30H22N6O8S/c31-18-4-1-17-13-26(45(42,43)44)27(28(38)23(17)14-18)36-34-21-9-7-19(8-10-21)32-29(39)16-2-5-20(6-3-16)33-35-22-11-12-25(37)24(15-22)30(40)41/h1-15,37-38H,31H2,(H,32,39)(H,40,41)(H,42,43,44)",C30H22N6O8S,,,,,,ZUCKLHZBLNPEOT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.920,289-044-1,85959-50-8,N-(2-ethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-carboxamide,2-{[3-({3-[(2-ethoxyphenyl)carbamoyl]-2-hydroxy-1-naphthyl}diazenyl)-4-methoxyphenyl]sulfonyl}ethyl propionate,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OCC)c2O)S(=O)(=O)CCOC(=O)CC,COc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1OCC)c2O)S(=O)(=O)CCOC(=O)CC,"InChI=1/C31H31N3O8S/c1-4-28(35)42-16-17-43(38,39)21-14-15-26(40-3)25(19-21)33-34-29-22-11-7-6-10-20(22)18-23(30(29)36)31(37)32-24-12-8-9-13-27(24)41-5-2/h6-15,18-19,36H,4-5,16-17H2,1-3H3,(H,32,37)",C31H31N3O8S,,,,,,BSSXMVCDPQLNBV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.645,303-056-7,94157-88-7,1-methyl-3-undecylindan,1-methyl-3-undecylindane,CCCCCCCCCCCC1CC(C)c2ccccc12,CCCCCCCCCCCC1CC(C)c2ccccc12,"InChI=1/C21H34/c1-3-4-5-6-7-8-9-10-11-14-19-17-18(2)20-15-12-13-16-21(19)20/h12-13,15-16,18-19H,3-11,14,17H2,1-2H3",C21H34,,,,,,UIMULSDDSCTUGL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.650,303-061-4,94157-93-4,Ethyl 5-oxopyrrolidine-2-acetate,ethyl (5-oxopyrrolidin-2-yl)acetate,CCOC(=O)CC1CCC(=O)N1,CCOC(=O)CC1CCC(=O)N1,"InChI=1/C8H13NO3/c1-2-12-8(11)5-6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)",C8H13NO3,,,,,,YWXNHKPRAUFNLS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.651,303-063-5,94157-94-5,1-acetylpyrrolidine-2-ethanol,2-(1-acetylpyrrolidin-2-yl)ethanol,CC(=O)N1CCCC1CCO,CC(=O)N1CCCC1CCO,"InChI=1/C8H15NO2/c1-7(11)9-5-2-3-8(9)4-6-10/h8,10H,2-6H2,1H3",C8H15NO2,,,,,,YFIUCVYOKJUGSF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.654,303-066-1,94157-97-8,1-amino-5-chloropentan-2-ol,1-amino-5-chloropentan-2-ol,NCC(O)CCCCl,NCC(O)CCCCl,"InChI=1/C5H12ClNO/c6-3-1-2-5(8)4-7/h5,8H,1-4,7H2",C5H12ClNO,,,,,,UICVJWZTEOTGQS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.658,303-070-3,94158-01-7,"1,1'-(iminodiethane-2,1-diyl)bis[2-amino-1,5-dihydro-4H-imidazol-4-one]","1,1'-(iminodiethane-2,1-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one)",NC1=NC(=O)CN1CCNCCN2CC(=O)N=C2N,NC1=NC(=O)CN1CCNCCN2CC(=O)N=C2N,"InChI=1/C10H17N7O2/c11-9-14-7(18)5-16(9)3-1-13-2-4-17-6-8(19)15-10(17)12/h13H,1-6H2,(H2,11,14,18)(H2,12,15,19)",C10H17N7O2,,,,,,GATGYMBYAYXMFM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.659,303-071-9,94158-02-8,"Sodium 4-chloro-3-[4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-chloro-3-{4-[(2,5-dichlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(Cl)ccc2Cl)C3=O,[Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(Cl)ccc2Cl)C3=O,"InChI=1/C16H11Cl3N4O4S.Na/c1-8-15(21-20-13-6-9(17)2-4-11(13)18)16(24)23(22-8)14-7-10(28(25,26)27)3-5-12(14)19;/h2-7,15H,1H3,(H,25,26,27);/q;+1/p-1",C16H11Cl3N4O4S.Na,,,,,,FXSWVNDUAZVEHO-UHFFFAOYSA-M,,,,,,,,,,,
100.093.664,303-077-1,94158-07-3,"1H-1,2,3-triazole-4-thiol, disodium salt","1H-1,2,3-triazole-4-thiol, disodium salt",[Na+].[Na+].Sc1c[nH]nn1,[Na+].[Na+].Sc1c[nH]nn1,"InChI=1/C2H3N3S.2Na/c6-2-1-3-5-4-2;;/h1H,(H2,3,4,5,6);;/q;2*+1",C2H3N3S.2Na,,,,,,OZCPEQXCBYCWIN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.665,303-078-7,94158-08-4,"Ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate","ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate",CCOC(=O)c1nnn(Cc2ccccc2)c1O,CCOC(=O)c1nnn(Cc2ccccc2)c1O,"InChI=1/C12H13N3O3/c1-2-18-12(17)10-11(16)15(14-13-10)8-9-6-4-3-5-7-9/h3-7,16H,2,8H2,1H3",C12H13N3O3,,,,,,LVHLLQKVXQGXNU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.666,303-079-2,94158-09-5,"Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate","N-ethyl-N,N-dimethylhexadecan-1-aminium 5-chloro-2-(2,4-dichlorophenoxy)phenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,"InChI=1/C20H44N.C12H7Cl3O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h5-20H2,1-4H3;1-6,16H/q+1;/p-1",C20H44N.C12H6Cl3O2,,,,,,FHTZEIBBQYAKQS-UHFFFAOYSA-M,,,,,,,,,,,
100.093.669,303-082-9,94158-12-0,Lithium naphthalenesulphonate,lithium naphthalene-1-sulfonate,[Li+].[O-]S(=O)(=O)c1cccc2ccccc12,[Li+].[O-]S(=O)(=O)c1cccc2ccccc12,"InChI=1/C10H8O3S.Li/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1",C10H8O3S.Li,,,,,,LAJNCCPAYZUOGR-UHFFFAOYSA-M,,,,,,,,,,,
100.093.684,303-099-1,94158-28-8,"3-ethyl-2-[2-[[3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium","3-[2-{2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene}-5-methyl-1,3-benzothiazol-3(2H)-yl]-2-hydroxypropane-1-sulfonate",[O-]S(=O)(=O)CC(O)CN3c4cc(C)ccc4SC3=CC(=Cc1sc2cc(C)c(C)cc2[n+]1CC)CC,[O-]S(=O)(=O)CC(O)CN3c4cc(C)ccc4SC3=CC(=Cc1sc2cc(C)c(C)cc2[n+]1CC)CC,"InChI=1/C27H32N2O4S3/c1-6-20(13-26-28(7-2)23-11-18(4)19(5)12-25(23)35-26)14-27-29(15-21(30)16-36(31,32)33)22-10-17(3)8-9-24(22)34-27/h8-14,21,30H,6-7,15-16H2,1-5H3",C27H32N2O4S3,,,,,,KFVFKGQKRJSOCK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.689,303-104-7,94158-33-5,"3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5-phenylbenzoxazolium p-toluenesulphonate","3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate",[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4cc(ccc4oc3C=C(C)C=C2Sc1cc(C)c(C)cc1N2CC)c5ccccc5,[O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4cc(ccc4oc3C=C(C)C=C2Sc1cc(C)c(C)cc1N2CC)c5ccccc5,"InChI=1/C30H31N2OS.C7H8O3S/c1-6-31-25-19-24(23-11-9-8-10-12-23)13-14-27(25)33-29(31)15-20(3)16-30-32(7-2)26-17-21(4)22(5)18-28(26)34-30;1-6-2-4-7(5-3-6)11(8,9)10/h8-19H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C30H31N2OS.C7H7O3S,,,,,,DYOSRFIQCCLZQY-UHFFFAOYSA-M,,,,,,,,,,,
100.095.165,304-728-2,94278-38-3,"1,4-diethyloctyl acetate","1,4-diethyloctyl acetate",CCCCC(CC)CCC(CC)OC(=O)C,CCCCC(CC)CCC(CC)OC(=O)C,"InChI=1/C14H28O2/c1-5-8-9-13(6-2)10-11-14(7-3)16-12(4)15/h13-14H,5-11H2,1-4H3",C14H28O2,,,,,,KZSOZUVVYMQOGE-UHFFFAOYSA-N,,,,,,,,,,,
100.095.166,304-729-8,94278-39-4,2-ethylbutyl cyclopent-2-ene-1-acetate,2-ethylbutyl cyclopent-2-en-1-ylacetate,CCC(CC)COC(=O)CC1CCC=C1,CCC(CC)COC(=O)CC1CCC=C1,"InChI=1/C13H22O2/c1-3-11(4-2)10-15-13(14)9-12-7-5-6-8-12/h5,7,11-12H,3-4,6,8-10H2,1-2H3",C13H22O2,,,,,,KCCAJFPBAQGCQC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.792,303-218-7,94159-39-4,Ethylene bis(tribromoacetate),"ethane-1,2-diyl bis(tribromoacetate)",BrC(Br)(Br)C(=O)OCCOC(=O)C(Br)(Br)Br,BrC(Br)(Br)C(=O)OCCOC(=O)C(Br)(Br)Br,"InChI=1/C6H4Br6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2",C6H4Br6O4,,,,,,AZEYOLLKUUMOHW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.801,303-228-1,94159-48-5,Ethylhexadecyldimethylammonium 4-octylphenolate,"N-ethyl-N,N-dimethylhexadecan-1-aminium 4-octylphenolate",CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCCCCCCCc1ccc([O-])cc1,CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCCCCCCCc1ccc([O-])cc1,"InChI=1/C20H44N.C14H22O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h5-20H2,1-4H3;9-12,15H,2-8H2,1H3/q+1;/p-1",C20H44N.C14H21O,,,,,,SMKARVCTVFJWGT-UHFFFAOYSA-M,,,,,,,,,,,
100.093.803,303-230-2,94159-50-9,"Trisodium 4-amino-3-[[4-[[4-[[2-[[2-(diethylamino)ethyl]amino]-4-hydroxyphenyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(2-{[2-(diethylamino)ethyl]amino}-4-hydroxyphenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)c(NCCN(CC)CC)c6,[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)c(NCCN(CC)CC)c6,"InChI=1/C40H40N10O11S3.3Na/c1-3-50(4-2)19-18-42-32-23-29(51)15-17-30(32)47-44-27-12-10-25(11-13-27)43-31-16-14-28(22-33(31)62(53,54)55)46-48-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)41)49-45-26-8-6-5-7-9-26;;;/h5-17,20-23,42-43,51-52H,3-4,18-19,41H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3",C40H40N10O11S3.3Na,,,,,,PBUMHIAOLPCTKW-UHFFFAOYSA-K,,,,,,,,,,,
100.093.809,303-237-0,94159-56-5,"Disodium 1-(4-amino-2-sulphonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate","disodium 1-(4-amino-2-sulfonatophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].Nc1ccc(N2N=C(CC2=O)C(=O)[O-])c(c1)S(=O)(=O)[O-],[Na+].[Na+].Nc1ccc(N2N=C(CC2=O)C(=O)[O-])c(c1)S(=O)(=O)[O-],"InChI=1/C10H9N3O6S.2Na/c11-5-1-2-7(8(3-5)20(17,18)19)13-9(14)4-6(12-13)10(15)16;;/h1-3H,4,11H2,(H,15,16)(H,17,18,19);;/q;2*+1/p-2",C10H9N3O6S.2Na,,,,,,VCXXGDQXGMEADB-UHFFFAOYSA-L,,,,,,,,,,,
100.093.811,303-239-1,94159-58-7,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[[2,5-dimethoxy-4-[(methylamino)sulphonyl]phenyl]azo]-3-oxobutyramide","2-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",CNS(=O)(=O)c1cc(OC)c(cc1OC)N=NC(C(C)=O)C(=O)Nc2ccc3NC(=O)Nc3c2,CNS(=O)(=O)c1cc(OC)c(cc1OC)N=NC(C(C)=O)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C20H22N6O7S/c1-10(27)18(19(28)22-11-5-6-12-13(7-11)24-20(29)23-12)26-25-14-8-16(33-4)17(9-15(14)32-3)34(30,31)21-2/h5-9,18,21H,1-4H3,(H,22,28)(H2,23,24,29)",C20H22N6O7S,,,,,,QLRPZDUQWSZBDX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.812,303-240-7,94159-59-8,"N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[[4-[[isopropylamino]sulphonyl]-2,5-dimethoxyphenyl]azo]-3-oxobutyramide","2-{[4-(isopropylsulfamoyl)-2,5-dimethoxyphenyl]diazenyl}-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide",CC(C)NS(=O)(=O)c1cc(OC)c(cc1OC)N=NC(C(C)=O)C(=O)Nc2ccc3NC(=O)Nc3c2,CC(C)NS(=O)(=O)c1cc(OC)c(cc1OC)N=NC(C(C)=O)C(=O)Nc2ccc3NC(=O)Nc3c2,"InChI=1/C22H26N6O7S/c1-11(2)28-36(32,33)19-10-17(34-4)16(9-18(19)35-5)26-27-20(12(3)29)21(30)23-13-6-7-14-15(8-13)25-22(31)24-14/h6-11,20,28H,1-5H3,(H,23,30)(H2,24,25,31)",C22H26N6O7S,,,,,,YGFNHPQFXUXIFB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.821,303-250-1,94159-70-3,"Potassium 3-sulphonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate","potassium 3-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}propane-1-sulfonate",[K+].CC(C)(C)c1cc(CCC(=O)OCCCS(=O)(=O)[O-])cc(c1O)C(C)(C)C,[K+].CC(C)(C)c1cc(CCC(=O)OCCCS(=O)(=O)[O-])cc(c1O)C(C)(C)C,"InChI=1/C20H32O6S.K/c1-19(2,3)15-12-14(13-16(18(15)22)20(4,5)6)8-9-17(21)26-10-7-11-27(23,24)25;/h12-13,22H,7-11H2,1-6H3,(H,23,24,25);/q;+1/p-1",C20H32O6S.K,,,,,,NWVSKTMYVSTIIO-UHFFFAOYSA-M,,,,,,,,,,,
100.093.822,303-251-7,94159-71-4,1-acetyl-2-(tetrahydro-2H-pyran-2-yl)isothiourea,tetrahydro-2H-pyran-2-yl N-acetylimidothiocarbamate,CC(=O)NC(=N)SC1CCCCO1,CC(=O)NC(=N)SC1CCCCO1,"InChI=1/C8H14N2O2S/c1-6(11)10-8(9)13-7-4-2-3-5-12-7/h7H,2-5H2,1H3,(H2,9,10,11)",C8H14N2O2S,,,,,,SFSJKLLWWNEORV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.925,289-049-9,85959-55-3,"3-[[4-[[[4-[[2-(acetylamino)-4-hydroxyphenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-4-amino-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid","3-{[4-({4-[(2-acetamido-4-hydroxyphenyl)diazenyl]phenyl}carbamoyl)phenyl]diazenyl}-4-amino-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",Oc6ccc(N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4)cc5)c(NC(C)=O)c6,Oc6ccc(N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4)cc5)c(NC(C)=O)c6,"InChI=1/C37H29N9O13S3/c1-19(47)39-29-18-26(48)12-15-28(29)44-41-24-8-6-22(7-9-24)40-37(50)20-2-4-23(5-3-20)42-45-34-30(61(54,55)56)16-21-17-31(62(57,58)59)35(36(49)32(21)33(34)38)46-43-25-10-13-27(14-11-25)60(51,52)53/h2-18,48-49H,38H2,1H3,(H,39,47)(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)",C37H29N9O13S3,,,,,,PEJDQYYKHVNSAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.929,289-054-6,85959-59-7,"17,21-dihydroxypregna-1,4-diene-3,11,20-trione 21-heptanoate","17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl heptanoate",CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C,CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C,"InChI=1/C28H38O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h11,13,15,20-21,25,33H,4-10,12,14,16-17H2,1-3H3",C28H38O6,,,,,,QOCHLIUSCKIIRS-JGCKISFHSA-N,,,,,,,,,,,
100.080.935,289-060-9,85959-65-5,Sodium hydrogen 3-amino-5-sulphonatosalicylate,sodium hydrogen 3-amino-2-hydroxy-5-sulfonatobenzoate,[Na+].Nc1cc(cc(C(=O)[O-])c1O)S(=O)(=O)[O-],[Na+].Nc1cc(cc(C(=O)[O-])c1O)S(=O)(=O)[O-],"InChI=1/C7H7NO6S.Na/c8-5-2-3(15(12,13)14)1-4(6(5)9)7(10)11;/h1-2,9H,8H2,(H,10,11)(H,12,13,14);/q;+1/p-2",C7H7NO6S.Na,,,,,,RORBRNDIUBJZHS-UHFFFAOYSA-L,,,,,,,,,,,
100.079.225,287-178-5,85410-04-4,Potassium 1-(methylethyl)naphthalenesulphonate,"potassium 1-isopropyl-1,2-dihydronaphthalene-1-sulfonate",[K+].CC(C)C1(CC=Cc2ccccc12)S(=O)(=O)[O-],[K+].CC(C)C1(CC=Cc2ccccc12)S(=O)(=O)[O-],"InChI=1/C13H16O3S.K/c1-10(2)13(17(14,15)16)9-5-7-11-6-3-4-8-12(11)13;/h3-8,10H,9H2,1-2H3,(H,14,15,16);/q;+1/p-1",C13H14O3S.K,,,,,,STNYMTWSIKABAV-UHFFFAOYSA-M,,,,,,,,,,,
100.079.241,287-195-8,85419-41-6,"2-[2-(2,5-dihydro-3,4-dimethyl-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethyl methacrylate","2-[2-(3,4-dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethyl methacrylate",CC(=C)C(=O)OCCOCCN1C(=O)C(=C(C)C1=O)C,CC(=C)C(=O)OCCOCCN1C(=O)C(=C(C)C1=O)C,"InChI=1/C14H19NO5/c1-9(2)14(18)20-8-7-19-6-5-15-12(16)10(3)11(4)13(15)17/h1,5-8H2,2-4H3",C14H19NO5,,,,,,BBCPYOJPFVNCMM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.243,287-197-9,85422-96-4,2-(3-chloro-4-hydroxy-5-methoxybenzyl)isothiouronium dihydrogen phosphate,amino[(3-chloro-4-hydroxy-5-methoxybenzyl)sulfanyl]methaniminium dihydrogen phosphate,COc1cc(CSC(=[NH2+])N)cc(Cl)c1O.[O-]P(=O)([O-])[O-],COc1cc(CSC(=[NH2+])N)cc(Cl)c1O.[O-]P(=O)([O-])[O-],"InChI=1/C9H11ClN2O2S.H3O4P/c1-14-7-3-5(4-15-9(11)12)2-6(10)8(7)13;1-5(2,3)4/h2-3,13H,4H2,1H3,(H3,11,12);(H3,1,2,3,4)/p-2",C9H11ClN2O2S.H3O4P,,,,,,AWXDPELYNAZMCA-UHFFFAOYSA-L,,,,,,,,,,,
100.079.247,287-202-4,85423-00-3,4-[(4-aminophenyl)methyl]-2-isopropylaniline,4-(4-aminobenzyl)-2-isopropylaniline,CC(C)c1cc(Cc2ccc(N)cc2)ccc1N,CC(C)c1cc(Cc2ccc(N)cc2)ccc1N,"InChI=1/C16H20N2/c1-11(2)15-10-13(5-8-16(15)18)9-12-3-6-14(17)7-4-12/h3-8,10-11H,9,17-18H2,1-2H3",C16H20N2,,,,,,DOHNBPOFDTUUKY-UHFFFAOYSA-N,,,,,,,,,,,
100.079.248,287-204-5,85423-01-4,4-[(4-amino-3-ethylphenyl)methyl]-2-[(4-aminophenyl)methyl]aniline,4-[4-amino-3-(4-aminobenzyl)benzyl]-2-ethylaniline,CCc1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)ccc1N,CCc1cc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)ccc1N,"InChI=1/C22H25N3/c1-2-18-13-16(5-9-21(18)24)11-17-6-10-22(25)19(14-17)12-15-3-7-20(23)8-4-15/h3-10,13-14H,2,11-12,23-25H2,1H3",C22H25N3,,,,,,JMTHXNBSOUZLFW-UHFFFAOYSA-N,,,,,,,,,,,
100.079.249,287-205-0,85423-02-5,2-[(4-amino-3-ethylphenyl)methyl]-4-[(4-aminophenyl)methyl]aniline,4-[2-amino-5-(4-aminobenzyl)benzyl]-2-ethylaniline,CCc1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)ccc1N,CCc1cc(Cc2cc(Cc3ccc(N)cc3)ccc2N)ccc1N,"InChI=1/C22H25N3/c1-2-18-12-17(6-9-21(18)24)14-19-13-16(5-10-22(19)25)11-15-3-7-20(23)8-4-15/h3-10,12-13H,2,11,14,23-25H2,1H3",C22H25N3,,,,,,IWWLKYJVPXQUSG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.750,288-856-3,85909-52-0,"Octahydro-4,7-methano-1H-indene-5-carboxylic acid","octahydro-1H-4,7-methanoindene-5-carboxylic acid",OC(=O)C1CC2CC1C3CCCC23,OC(=O)C1CC2CC1C3CCCC23,"InChI=1/C11H16O2/c12-11(13)10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,12,13)",C11H16O2,,,,,,PLPOOSRONAYTQI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.755,288-862-6,85909-57-5,(2-hydroxyethyl)methylbis[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride,N-(2-hydroxyethyl)-N-methyl-3-(stearoylamino)-N-[3-(stearoylamino)propyl]propan-1-aminium chloride,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCO)CCCNC(=O)CCCCCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCO)CCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C45H91N3O3.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-44(50)46-38-34-40-48(3,42-43-49)41-35-39-47-45(51)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h49H,4-43H2,1-3H3,(H-,46,47,50,51);1H",C45H92N3O3.Cl,,,,,,ZADVJHGWHFTKAR-UHFFFAOYSA-N,,,,,,,,,,,
100.097.008,306-759-7,97403-97-9,"1-isobutyl 9-(sulphooxy)octadecanoate, compound with 2-aminoethanol (1:1)",isobutyl 9-(sulfooxy)octadecanoate - 2-aminoethanol (1:1),CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O.NCCO,CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O.NCCO,"InChI=1/C22H44O6S.C2H7NO/c1-4-5-6-7-8-10-13-16-21(28-29(24,25)26)17-14-11-9-12-15-18-22(23)27-19-20(2)3;3-1-2-4/h20-21H,4-19H2,1-3H3,(H,24,25,26);4H,1-3H2",C22H44O6S.C2H7NO,,,,,,SXVNWPOKJREGMW-UHFFFAOYSA-N,,,,,,,,,,,
100.097.015,306-767-0,97404-04-1,"Sodium 2,5-dichloro-4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate","sodium 2,5-dichloro-4-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate",[Na+].Clc3cc(c(Cl)cc3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O,[Na+].Clc3cc(c(Cl)cc3N=Nc1c2ccccc2ccc1O)S([O-])(=O)=O,"InChI=1/C16H10Cl2N2O4S.Na/c17-11-8-15(25(22,23)24)12(18)7-13(11)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;/h1-8,21H,(H,22,23,24);/q;+1/p-1",C16H10Cl2N2O4S.Na,,,,,,FJISWYRUJFALJF-UHFFFAOYSA-M,,,,,,,,,,,
100.097.020,306-772-8,97404-09-6,"Dipotassium 2,5-dimethyl-3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-yl dihydrogen phosphate","dipotassium 2,5-dimethyl-3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-yl dihydrogen phosphate",[K+].[K+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(C)COC(C)COP(=O)(O)O,[K+].[K+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(C)COC(C)COP(=O)(O)O,"InChI=1/C30H63O12P.2K/c1-4-5-6-7-8-9-10-11-12-13-14-34-15-16-35-17-18-36-19-20-37-21-22-38-23-24-39-25-26-40-29(2)27-41-30(3)28-42-43(31,32)33;;/h29-30H,4-28H2,1-3H3,(H2,31,32,33);;/q;2*+1",C30H63O12P.2K,,,,,,IHCCQJJILSMHLK-UHFFFAOYSA-N,,,,,,,,,,,
100.097.025,306-778-0,97404-14-3,"1-[(3-aminopropyl)amino]anthraquinone, monohydrochloride","1-[(3-aminopropyl)amino]-9,10-anthraquinone hydrochloride",Cl.NCCCNc1cccc2C(=O)c3ccccc3C(=O)c12,Cl.NCCCNc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H16N2O2.ClH/c18-9-4-10-19-14-8-3-7-13-15(14)17(21)12-6-2-1-5-11(12)16(13)20;/h1-3,5-8,19H,4,9-10,18H2;1H",C17H16N2O2.ClH,,,,,,MXSLXRJZWUIWCV-UHFFFAOYSA-N,,,,,,,,,,,
100.095.290,304-866-3,94291-43-7,9-methyl-1-oxaspiro[5.5]undecan-2-one,9-methyl-1-oxaspiro[5.5]undecan-2-one,CC1CCC2(CCCC(=O)O2)CC1,CC1CCC2(CCCC(=O)O2)CC1,"InChI=1/C11H18O2/c1-9-4-7-11(8-5-9)6-2-3-10(12)13-11/h9H,2-8H2,1H3",C11H18O2,,,,,,FSZHMRPSWDFECE-UHFFFAOYSA-N,,,,,,,,,,,
100.095.291,304-867-9,94291-44-8,6-methyl-3-(1-methylcyclopropyl)hept-2-en-1-ol,6-methyl-3-(1-methylcyclopropyl)hept-2-en-1-ol,CC1(CC1)C(CCC(C)C)=CCO,CC1(CC1)C(CCC(C)C)=CCO,"InChI=1/C12H22O/c1-10(2)4-5-11(6-9-13)12(3)7-8-12/h6,10,13H,4-5,7-9H2,1-3H3",C12H22O,,,,,,WQRXXEWXBPIPMP-UHFFFAOYSA-N,,,,,,,,,,,
100.095.297,304-874-7,94291-50-6,1-methoxyhexane-3-thiol,1-methoxyhexane-3-thiol,CCCC(S)CCOC,CCCC(S)CCOC,"InChI=1/C7H16OS/c1-3-4-7(9)5-6-8-2/h7,9H,3-6H2,1-2H3",C7H16OS,,,,,,GTDLILFCRHJTRW-UHFFFAOYSA-N,,,,,,,,,,,
100.095.298,304-875-2,94291-51-7,"5-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-3-methylpentan-2-ol","5-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-3-methylpentan-2-ol",CC2(C)C1CCC(C1)C2=CCC(C)C(C)O,CC2(C)C1CCC(C1)C2=CCC(C)C(C)O,"InChI=1/C15H26O/c1-10(11(2)16)5-8-14-12-6-7-13(9-12)15(14,3)4/h8,10-13,16H,5-7,9H2,1-4H3",C15H26O,,,,,,KGFHMTBDEFERCZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.303,304-881-5,94291-56-2,"4,4,6-trimethyl-2-[1-methyl-2-[4-(1-methylethyl)phenyl]ethyl]-1,3-dioxane","2-[2-(4-isopropylphenyl)-1-methylethyl]-4,4,6-trimethyl-1,3-dioxane",CC(C)c1ccc(CC(C)C2OC(C)CC(C)(C)O2)cc1,CC(C)c1ccc(CC(C)C2OC(C)CC(C)(C)O2)cc1,"InChI=1/C19H30O2/c1-13(2)17-9-7-16(8-10-17)11-14(3)18-20-15(4)12-19(5,6)21-18/h7-10,13-15,18H,11-12H2,1-6H3",C19H30O2,,,,,,HMBQDSPREBNWHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.304,304-882-0,94291-57-3,"Hepta-4,6-dien-2-one","hepta-4,6-dien-2-one",CC(=O)CC=CC=C,CC(=O)CC=CC=C,"InChI=1/C7H10O/c1-3-4-5-6-7(2)8/h3-5H,1,6H2,2H3",C7H10O,,,,,,RYERNMBUXSIYLX-UHFFFAOYSA-N,,,,,,,,,,,
100.095.307,304-885-7,94291-60-8,"3,7-dimethyloct-6-en-1-yl phenethyl carbonate","3,7-dimethyloct-6-en-1-yl 2-phenylethyl carbonate",CC(CCOC(=O)OCCc1ccccc1)CCC=C(C)C,CC(CCOC(=O)OCCc1ccccc1)CCC=C(C)C,"InChI=1/C19H28O3/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18/h4-6,8,10-11,17H,7,9,12-15H2,1-3H3",C19H28O3,,,,,,SIUXHHHLKJUSAT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.308,304-886-2,94291-61-9,"4,4'-[hexane-1,6-diylbis(oxy)]bisbenzonitrile","4,4'-[hexane-1,6-diylbis(oxy)]dibenzonitrile",N#Cc1ccc(OCCCCCCOc2ccc(cc2)C#N)cc1,N#Cc1ccc(OCCCCCCOc2ccc(cc2)C#N)cc1,"InChI=1/C20H20N2O2/c21-15-17-5-9-19(10-6-17)23-13-3-1-2-4-14-24-20-11-7-18(16-22)8-12-20/h5-12H,1-4,13-14H2",C20H20N2O2,,,,,,NSIXQDMKFBNVGX-UHFFFAOYSA-N,,,,,,,,,,,
100.095.314,304-893-0,94291-67-5,2-aminoethylguanidine hydrochloride,1-(2-aminoethyl)guanidine hydrochloride,Cl.NCCNC(=N)N,Cl.NCCNC(=N)N,"InChI=1/C3H10N4.ClH/c4-1-2-7-3(5)6;/h1-2,4H2,(H4,5,6,7);1H",C3H10N4.ClH,,,,,,VOZVRYIICBLLOH-UHFFFAOYSA-N,,,,,,,,,,,
100.095.754,305-376-2,94481-49-9,Barium dimethylhexanoate,"barium bis(2,2-dimethylhexanoate)",[Ba+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],[Ba+2].CCCCC(C)(C)C(=O)[O-].CCCCC(C)(C)C(=O)[O-],"InChI=1/2C8H16O2.Ba/c2*1-4-5-6-8(2,3)7(9)10;/h2*4-6H2,1-3H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ba,,,,,,HYJXRZLNUUVLJY-UHFFFAOYSA-L,,,,,,,,,,,
100.093.827,303-256-4,94159-76-9,"Bis(2-hydroxyethyl)methyl[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl]ammonium iodide","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-14-(trifluoromethyl)pentadecan-1-aminium iodide",[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C21H19F27NO3.HI/c1-49(2-4-50,3-5-51)7-8(52)6-9(22,23)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)18(39,40)16(35,36)14(31,32)12(27,28)10(24,20(43,44)45)21(46,47)48;/h8,50-52H,2-7H2,1H3;1H/q+1;/p-1",C21H19F27NO3.I,,,,,,QQRRNNJXDYEDNO-UHFFFAOYSA-M,,,,,,,,,,,
100.094.836,304-366-5,94248-90-5,Sodium 1-[(hydroxymethoxy)methoxy]cyclohexanesulphonate,sodium 1-[(hydroxymethoxy)methoxy]cyclohexanesulfonate,[Na+].OCOCOC1(CCCCC1)S(=O)(=O)[O-],[Na+].OCOCOC1(CCCCC1)S(=O)(=O)[O-],"InChI=1/C8H16O6S.Na/c9-6-13-7-14-8(15(10,11)12)4-2-1-3-5-8;/h9H,1-7H2,(H,10,11,12);/q;+1/p-1",C8H16O6S.Na,,,,,,SLFUYLKUMZFJNE-UHFFFAOYSA-M,,,,,,,,,,,
100.094.841,304-371-2,94248-95-0,"4-amino-3-hydroxy-N,N-dimethylbenzenesulphonamide monohydrochloride","4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide hydrochloride",Cl.CN(C)S(=O)(=O)c1ccc(N)c(O)c1,Cl.CN(C)S(=O)(=O)c1ccc(N)c(O)c1,"InChI=1/C8H12N2O3S.ClH/c1-10(2)14(12,13)6-3-4-7(9)8(11)5-6;/h3-5,11H,9H2,1-2H3;1H",C8H12N2O3S.ClH,,,,,,QJOZXGDAAUQZEY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.843,304-373-3,94248-97-2,(9S)-9-hydroxy-6'-methoxycinchonanium thiocyanate,6'-methoxycinchonan-1-ium-9-ol thiocyanate,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[S-]C#N,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[S-]C#N,"InChI=1/C20H24N2O2.CHNS/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H",C20H24N2O2.CHNS,,,,,,UEAGLYAZUNBAOV-VJAUXQICSA-N,,,,,,,,,,,
100.094.845,304-375-4,94248-99-4,6-methylpyridazin-3(2H)-one monohydrobromide,6-methylpyridazin-3(2H)-one hydrobromide,Br.CC1=NNC(=O)C=C1,Br.CC1=NNC(=O)C=C1,"InChI=1/C5H6N2O.BrH/c1-4-2-3-5(8)7-6-4;/h2-3H,1H3,(H,7,8);1H",C5H6N2O.BrH,,,,,,REHDHXORJFGFPO-UHFFFAOYSA-N,,,,,,,,,,,
100.099.916,309-981-2,101896-22-4,"9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonadecafluoro-3-(2-hydroxyethyl)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)oxy]-4,6-dioxa-3-aza-5-phosphaheptadecan-1-ol 5-oxide","9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonadecafluoro-3-(2-hydroxyethyl)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)oxy]-4,6-dioxa-3-aza-5-phosphaheptadecan-1-ol 5-oxide",OCCN(CCO)OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCN(CCO)OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C26H18F38NO6P/c27-9(28,11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)23(55,56)25(59,60)61)1-7-69-72(68,71-65(3-5-66)4-6-67)70-8-2-10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(53,54)24(57,58)26(62,63)64/h66-67H,1-8H2",C26H18F38NO6P,,,,,,SCLANBGRWSJHLY-UHFFFAOYSA-N,,,,,,,,,,,
100.099.918,309-983-3,101896-25-7,"7-amino-3,6,10-triethyl-2-(ethylimino)-2,10-dihydrophenoxazin-5-ium perchlorate","7-amino-3,6,10-triethyl-2-(ethylimino)-2,10-dihydrophenoxazin-5-ium perchlorate",[O-]Cl(=O)(=O)=O.Nc3ccc2c(\\[O+]=C/1\\C=C(\\CC)C(\\C=C\\1N2CC)=NCC)c3CC,[O-]Cl(=O)(=O)=O.Nc3ccc2c(\[O+]=C/1\C=C(\CC)C(\C=C\1N2CC)=NCC)c3CC,"InChI=1/C20H26N3O.ClHO4/c1-5-13-11-19-18(12-16(13)22-7-3)23(8-4)17-10-9-15(21)14(6-2)20(17)24-19;2-1(3,4)5/h9-12H,5-8,21H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C20H26N3O.ClO4,,,,,,AWOSNSWGHWENJI-UHFFFAOYSA-M,,,,,,,,,,,
100.095.170,304-734-5,94278-43-0,"8-(1,1-dimethylethyl)-3-methyl-1-oxaspiro[4.5]decan-2-one",8-tert-butyl-3-methyl-1-oxaspiro[4.5]decan-2-one,CC1CC2(CCC(CC2)C(C)(C)C)OC1=O,CC1CC2(CCC(CC2)C(C)(C)C)OC1=O,"InChI=1/C14H24O2/c1-10-9-14(16-12(10)15)7-5-11(6-8-14)13(2,3)4/h10-11H,5-9H2,1-4H3",C14H24O2,,,,,,RUDWYGPMFXMYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.179,304-743-4,94278-99-6,(Z)-N-[3-[(3-aminopropyl)methylamino]propyl]-9-octadecenamide,N-{3-[(3-aminopropyl)(methyl)amino]propyl}octadec-9-enamide,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCCN(C)CCCN,CCCCCCCC\C=C/CCCCCCCC(=O)NCCCN(C)CCCN,"InChI=1/C25H51N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(29)27-22-19-24-28(2)23-18-21-26/h10-11H,3-9,12-24,26H2,1-2H3,(H,27,29)",C25H51N3O,,,,,,CMGLAGCNABBSLR-KHPPLWFESA-N,,,,,,,,,,,
100.095.194,304-760-7,94279-14-8,Ethylbis(1-phenylethyl)benzene,"1-ethyl-2,3-bis(1-phenylethyl)benzene",CCc1cccc(C(C)c2ccccc2)c1C(C)c3ccccc3,CCc1cccc(C(C)c2ccccc2)c1C(C)c3ccccc3,"InChI=1/C24H26/c1-4-20-16-11-17-23(18(2)21-12-7-5-8-13-21)24(20)19(3)22-14-9-6-10-15-22/h5-19H,4H2,1-3H3",C24H26,,,,,,HHCOXQKOLLRJQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.204,304-771-7,94279-28-4,2-methyl(2-thienylmethyl)pyrazine,2-methyl-3-(2-thienylmethyl)pyrazine,Cc1nccnc1Cc2cccs2,Cc1nccnc1Cc2cccs2,"InChI=1/C10H10N2S/c1-8-10(12-5-4-11-8)7-9-3-2-6-13-9/h2-6H,7H2,1H3",C10H10N2S,,,,,,TUHNNOHMTDQQLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.836,303-266-9,94159-85-0,"a-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)aziridine-1-ethanol","1-aziridin-1-yl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol",OC(CN1CC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OC(CN1CC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H10F17NO/c14-6(15,3-5(32)4-31-1-2-31)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h5,32H,1-4H2",C13H10F17NO,,,,,,SONGXJCUEWDGMO-UHFFFAOYSA-N,,,,,,,,,,,
100.080.759,288-866-8,85909-61-1,"Bis[(9S)-10,11-dihydro-9-hydroxy-6'-methoxycinchonanium] sulphate","bis(6'-methoxy-10,11-dihydrocinchonan-1-ium-9-ol) sulfate",CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.CC[C@H]5C[N@@H+]6CC[C@H]5C[C@@H]6[C@@H](O)c7ccnc8ccc(OC)cc78.[O-]S(=O)(=O)[O-],CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.CC[C@H]5C[N@@H+]6CC[C@H]5C[C@@H]6[C@@H](O)c7ccnc8ccc(OC)cc78.[O-]S(=O)(=O)[O-],"InChI=1/2C20H26N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;(H2,1,2,3,4)",C20H26N2O2.1/2H2O4S,,,,,,XQPSXUWILZCWMQ-VCSAERELSA-N,,,,,,,,,,,
100.080.975,289-104-7,85996-37-8,"2-ethyl-N,N-dimethylbutylamine","2-ethyl-N,N-dimethylbutan-1-amine",CCC(CC)CN(C)C,CCC(CC)CN(C)C,"InChI=1/C8H19N/c1-5-8(6-2)7-9(3)4/h8H,5-7H2,1-4H3",C8H19N,,,,,,INQYGHQWXMXAIN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.764,288-872-0,85927-01-1,Dodecyl-2-naphthol,1-dodecyl-2-naphthol,CCCCCCCCCCCCc1c(O)ccc2ccccc12,CCCCCCCCCCCCc1c(O)ccc2ccccc12,"InChI=1/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-16-21-20-15-13-12-14-19(20)17-18-22(21)23/h12-15,17-18,23H,2-11,16H2,1H3",C22H32O,,,,,,YBIWWCWLVWMWHG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.766,288-874-1,85938-40-5,"Isopropyl (Z,Z)-2-methyl-9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate","isopropyl 2-methyl-9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",CCCCCCCC[Sn](CCCCCCCC)(OC(=O)\\C=C/C(=O)OC(C)C)OC(=O)\\C=C/C(=O)OC(C)C,CCCCCCCC[Sn](CCCCCCCC)(OC(=O)\C=C/C(=O)OC(C)C)OC(=O)\C=C/C(=O)OC(C)C,"InChI=1/2C8H17.2C7H10O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-5(2)11-7(10)4-3-6(8)9;/h2*1,3-8H2,2H3;2*3-5H,1-2H3,(H,8,9);/q;;;;+2/p-2/rC30H52O8Sn/c1-7-9-11-13-15-17-23-39(24-18-16-14-12-10-8-2,37-29(33)21-19-27(31)35-25(3)4)38-30(34)22-20-28(32)36-26(5)6/h19-22,25-26H,7-18,23-24H2,1-6H3",C30H52O8Sn,,,,,,PNULSRPGOXFEHF-DERJAXIWSA-L,,,,,,,,,,,
100.080.775,288-884-6,85938-49-4,Dibutylfluorohexylstannane,dibutyl(fluoro)hexylstannane,CCCCCC[Sn](F)(CCCC)CCCC,CCCCCC[Sn](F)(CCCC)CCCC,"InChI=1/C6H13.2C4H9.FH.Sn/c1-3-5-6-4-2;2*1-3-4-2;;/h1,3-6H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC14H31FSn/c1-4-7-10-11-14-16(15,12-8-5-2)13-9-6-3/h4-14H2,1-3H3",C14H31FSn,,,,,,ORILWNIQDRJWKS-UHFFFAOYSA-M,,,,,,,,,,,
100.080.777,288-886-7,85938-51-8,Tributyl[[(p-dodecylphenyl)sulphonyl]oxy]stannane,tributyl{[(4-dodecylphenyl)sulfonyl]oxy}stannane,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1/C18H30O3S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;3*1-3-4-2;/h13-16H,2-12H2,1H3,(H,19,20,21);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC30H56O3SSn/c1-5-9-13-14-15-16-17-18-19-20-21-29-22-24-30(25-23-29)34(31,32)33-35(26-10-6-2,27-11-7-3)28-12-8-4/h22-25H,5-21,26-28H2,1-4H3",C30H56O3SSn,,,,,,PWFLFJXKKNUHOQ-UHFFFAOYSA-M,,,,,,,,,,,
100.079.625,287-618-6,85557-19-3,"4,6-diallyloxy-N-octyl-1,3,5-triazin-2-amine","4,6-bis(allyloxy)-N-octyl-1,3,5-triazin-2-amine",CCCCCCCCNc1nc(OCC=C)nc(OCC=C)n1,CCCCCCCCNc1nc(OCC=C)nc(OCC=C)n1,"InChI=1/C17H28N4O2/c1-4-7-8-9-10-11-12-18-15-19-16(22-13-5-2)21-17(20-15)23-14-6-3/h5-6H,2-4,7-14H2,1H3,(H,18,19,20,21)",C17H28N4O2,,,,,,MDUQWAAJFNGFFY-UHFFFAOYSA-N,,,,,,,,,,,
100.079.628,287-621-2,85566-12-7,"Alcohols, C8-10",decan-1-ol,CCCCCCCCCCO,CCCCCCCCCCO,"InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",-,,,,,,MWKFXSUHUHTGQN-UHFFFAOYSA-N,,,,,,,,,,,
100.080.836,288-952-5,85940-64-3,"Ammonium sodium 5-methoxy-4-[[2-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-1,3-dioxobutyl]amino]-2-methylbenzenesulphonate",ammonium sodium 5-methoxy-4-({2-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-oxobutanoyl}amino)-2-methylbenzenesulfonate,[NH4+].[Na+].COc2cc(c(C)cc2N=NC(C(C)=O)C(=O)Nc1cc(C)c(cc1OC)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,[NH4+].[Na+].COc2cc(c(C)cc2N=NC(C(C)=O)C(=O)Nc1cc(C)c(cc1OC)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O,"InChI=1/C22H27N3O13S3.H3N.Na/c1-12-9-16(18(37-5)10-19(12)39(28,29)7-6-38-41(33,34)35)24-25-21(14(3)26)22(27)23-15-8-13(2)20(40(30,31)32)11-17(15)36-4;;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);1H3;/q;;+1/p-1",C22H27N3O13S3.xH3N.xNa,,,,,,LEKJZKMNUQOOBO-UHFFFAOYSA-M,,,,,,,,,,,
100.080.841,288-957-2,85946-14-1,1-amino-4-hydroxy-2-[2-(3-methylphenoxy)ethoxy]anthraquinone,"1-amino-4-hydroxy-2-[2-(3-methylphenoxy)ethoxy]-9,10-anthraquinone",Cc1cccc(OCCOc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)c1,Cc1cccc(OCCOc2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)c1,"InChI=1/C23H19NO5/c1-13-5-4-6-14(11-13)28-9-10-29-18-12-17(25)19-20(21(18)24)23(27)16-8-3-2-7-15(16)22(19)26/h2-8,11-12,25H,9-10,24H2,1H3",C23H19NO5,,,,,,PRFLHIULISVRAU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.867,288-986-0,85958-97-0,Disodium 7-[(3-chloro-1-oxopropyl)amino]-4-hydroxy-3-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 7-[(3-chloropropanoyl)amino]-4-hydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)CCCl)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)CCCl)S([O-])(=O)=O,"InChI=1/C19H16ClN3O8S2.2Na/c20-8-7-17(24)21-13-3-6-15-11(9-13)10-16(33(29,30)31)18(19(15)25)23-22-12-1-4-14(5-2-12)32(26,27)28;;/h1-6,9-10,25H,7-8H2,(H,21,24)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",C19H16ClN3O8S2.2Na,,,,,,JTMJWWWNXCSBCD-UHFFFAOYSA-L,,,,,,,,,,,
100.093.694,303-109-4,94158-39-1,"(3,6,9,12,15,18,21-heptoxanonatriacontyl) hydrogen but-2-ene-1,4-dioate","4-oxo-5,8,11,14,17,20,23,26-octaoxatetratetracont-2-en-1-oic acid",OC(=O)C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC,OC(=O)C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC,"InChI=1/C36H68O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-40-21-22-41-23-24-42-25-26-43-27-28-44-29-30-45-31-32-46-33-34-47-36(39)19-18-35(37)38/h18-19H,2-17,20-34H2,1H3,(H,37,38)",C36H68O11,,,,,,LFTOSWHCXZSBCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.696,303-112-0,94158-41-5,"Tetrasodium 5-[[4'-[[8-amino-7-[[5-amino-2-[(4-sulphonatophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate","tetrasodium 5-[(4'-{[8-amino-7-({5-amino-2-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}biphenyl-4-yl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c7ccc(N=Nc6c(cc5cc(c(N=Nc4cc(N)ccc4N=Nc3ccc(cc3)S([O-])(=O)=O)c(N)c5c6O)S([O-])(=O)=O)S([O-])(=O)=O)cc7,[Na+].[Na+].[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)c7ccc(N=Nc6c(cc5cc(c(N=Nc4cc(N)ccc4N=Nc3ccc(cc3)S([O-])(=O)=O)c(N)c5c6O)S([O-])(=O)=O)S([O-])(=O)=O)cc7,"InChI=1/C41H30N10O13S3.4Na/c42-24-5-15-31(48-45-27-10-13-29(14-11-27)65(56,57)58)32(19-24)49-50-38-34(66(59,60)61)17-23-18-35(67(62,63)64)39(40(53)36(23)37(38)43)51-46-26-8-3-22(4-9-26)21-1-6-25(7-2-21)44-47-28-12-16-33(52)30(20-28)41(54)55;;;;/h1-20,52-53H,42-43H2,(H,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4",C41H30N10O13S3.4Na,,,,,,SUYUHGMCJSLRNO-UHFFFAOYSA-J,,,,,,,,,,,
100.093.707,303-124-6,94158-52-8,"Malic acid, compound with 2-(diethylamino)ethanol (1:1)",2-hydroxysuccinic acid - 2-(diethylamino)ethanol (1:1),CCN(CC)CCO.OC(CC(=O)O)C(=O)O,CCN(CC)CCO.OC(CC(=O)O)C(=O)O,"InChI=1/C6H15NO.C4H6O5/c1-3-7(4-2)5-6-8;5-2(4(8)9)1-3(6)7/h8H,3-6H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)",C6H15NO.C4H6O5,,,,,,SGVFJJGCNRTRSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.713,303-130-9,94158-58-4,Bis(triethylammonium) glutarate,"bis(N,N-diethylethanaminium) glutarate",CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]C(=O)CCCC(=O)[O-],CC[NH+](CC)CC.CC[NH+](CC)CC.[O-]C(=O)CCCC(=O)[O-],"InChI=1/2C6H15N.C5H8O4/c2*1-4-7(5-2)6-3;6-4(7)2-1-3-5(8)9/h2*4-6H2,1-3H3;1-3H2,(H,6,7)(H,8,9)",C6H15N.1/2C5H8O4,,,,,,GOBWKURIHUUSBC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.718,303-136-1,94158-64-2,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C21H9F31O2/c1-5(2)6(53)54-4-3-7(22,23)9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)18(43,44)16(39,40)14(35,36)12(31,32)10(27,28)8(24,20(47,48)49)21(50,51)52/h1,3-4H2,2H3",C21H9F31O2,,,,,,WSPGUHLVXPTGNB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.720,303-138-2,94158-66-4,"(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)oxirane","2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecyl)oxirane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C15H5F25O/c16-4(17,1-3-2-41-3)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)40/h3H,1-2H2",C15H5F25O,,,,,,QAXVXGRPJJMLJF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.722,303-140-3,94158-68-6,"(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)oxirane","2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecyl)oxirane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C19H5F33O/c20-4(21,1-3-2-53-3)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)52/h3H,1-2H2",C19H5F33O,,,,,,RKMNPJDKZVNTFV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.723,303-141-9,94158-69-7,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C11H8F17O5P/c12-4(13,1-3(29)2-33-34(30,31)32)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29H,1-2H2,(H2,30,31,32)",C11H8F17O5P,,,,,,ZAAFLQNFGSTNRW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.726,303-145-0,94158-72-2,Isopropyl 2-(4-chloro-2-methylphenoxy)propionate,isopropyl 2-(4-chloro-2-methylphenoxy)propanoate,CC(C)OC(=O)C(C)Oc1ccc(Cl)cc1C,CC(C)OC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C13H17ClO3/c1-8(2)16-13(15)10(4)17-12-6-5-11(14)7-9(12)3/h5-8,10H,1-4H3",C13H17ClO3,,,,,,PECHYQPZTGMBNW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.730,303-149-2,94158-76-6,p-(2-methyl-1-phenyl-1-butenyl)toluene,1-methyl-4-(2-methyl-1-phenylbut-1-en-1-yl)benzene,CC(CC)=C(c1ccccc1)c2ccc(C)cc2,CC(CC)=C(c1ccccc1)c2ccc(C)cc2,"InChI=1/C18H20/c1-4-15(3)18(16-8-6-5-7-9-16)17-12-10-14(2)11-13-17/h5-13H,4H2,1-3H3",C18H20,,,,,,LNJCJKLAEPHDJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.028,306-781-7,97404-18-7,"2,12-dichloro-3-ethoxybisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione","2,12-dichloro-3-ethoxybisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione",CCOc1cc2nc3c4ccc5C(=O)n6c(nc7cc(Cl)ccc67)c8ccc(C(=O)n3c2cc1Cl)c4c58,CCOc1cc2nc3c4ccc5C(=O)n6c(nc7cc(Cl)ccc67)c8ccc(C(=O)n3c2cc1Cl)c4c58,"InChI=1/C28H14Cl2N4O3/c1-2-37-22-11-19-21(10-17(22)30)34-26(32-19)14-5-6-15-23-13(4-7-16(24(14)23)28(34)36)25-31-18-9-12(29)3-8-20(18)33(25)27(15)35/h3-11H,2H2,1H3",C28H14Cl2N4O3,,,,,,XAFSIKGUFJICTC-UHFFFAOYSA-N,,,,,,,,,,,
100.097.064,306-821-3,97416-74-5,"2-[(aminothioxomethyl)hydrazono]-2-(2,3-dichlorophenyl)acetamide","2-(carbamothioylhydrazono)-2-(2,3-dichlorophenyl)acetamide",Clc1c(cccc1Cl)C(=NNC(N)=S)C(N)=O,Clc1c(cccc1Cl)C(=NNC(N)=S)C(N)=O,"InChI=1/C9H8Cl2N4OS/c10-5-3-1-2-4(6(5)11)7(8(12)16)14-15-9(13)17/h1-3H,(H2,12,16)(H3,13,15,17)",C9H8Cl2N4OS,,,,,,MADAFGZOISGUPF-UHFFFAOYSA-N,,,,,,,,,,,
100.097.070,306-828-1,97416-80-3,"3-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","3-[(4-chlorophenyl)sulfanyl]-11-methyl-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one",Cc1ccc2c(c1)nc3c4ccc(Sc5ccc(Cl)cc5)c6cccc(C(=O)n23)c46,Cc1ccc2c(c1)nc3c4ccc(Sc5ccc(Cl)cc5)c6cccc(C(=O)n23)c46,"InChI=1/C25H15ClN2OS/c1-14-5-11-21-20(13-14)27-24-18-10-12-22(30-16-8-6-15(26)7-9-16)17-3-2-4-19(23(17)18)25(29)28(21)24/h2-13H,1H3",C25H15ClN2OS,,,,,,UQJPNWRXYFYENA-UHFFFAOYSA-N,,,,,,,,,,,
100.098.836,308-779-1,98493-35-7,"Aluminium tris[9,10-dihydro-5,8-dihydroxy-9,10-dioxoanthracene-2-sulphonate]","aluminum tris(5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate)",[Al+3].Oc1ccc(O)c2C(=O)c3cc(ccc3C(=O)c12)S(=O)(=O)[O-].Oc4ccc(O)c5C(=O)c6cc(ccc6C(=O)c45)S(=O)(=O)[O-].Oc7ccc(O)c8C(=O)c9cc(ccc9C(=O)c78)S(=O)(=O)[O-],[Al+3].Oc1ccc(O)c2C(=O)c3cc(ccc3C(=O)c12)S(=O)(=O)[O-].Oc4ccc(O)c5C(=O)c6cc(ccc6C(=O)c45)S(=O)(=O)[O-].Oc7ccc(O)c8C(=O)c9cc(ccc9C(=O)c78)S(=O)(=O)[O-],"InChI=1/3C14H8O7S.Al/c3*15-9-3-4-10(16)12-11(9)13(17)7-2-1-6(22(19,20)21)5-8(7)14(12)18;/h3*1-5,15-16H,(H,19,20,21);/q;;;+3/p-3",C14H8O7S.1/3Al,,,,,,BJGROFLBXMVRFR-UHFFFAOYSA-K,,,,,,,,,,,
100.098.841,308-784-9,98510-76-0,3-[4-hydroxy(2-methylpropoxy)phenyl]acrylic acid,3-(4-hydroxy-2-isobutoxyphenyl)acrylic acid,CC(C)COc1cc(O)ccc1\\C=C\\C(=O)O,CC(C)COc1cc(O)ccc1\C=C\C(=O)O,"InChI=1/C13H16O4/c1-9(2)8-17-12-7-11(14)5-3-10(12)4-6-13(15)16/h3-7,9,14H,8H2,1-2H3,(H,15,16)",C13H16O4,,,,,,DGVPVSAARCIEIL-GQCTYLIASA-N,,,,,,,,,,,
100.098.847,308-791-7,98510-82-8,"sec-butyl dihydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:2)",sec-butyl dihydrogen phosphate - 2-ethyl-N-(2-ethylhexyl)hexan-1-amine (1:2),CC(CC)OP(O)(=O)O.CCC(CCCC)CNCC(CC)CCCC.CCC(CCCC)CNCC(CC)CCCC,CC(CC)OP(O)(=O)O.CCC(CCCC)CNCC(CC)CCCC.CCC(CCCC)CNCC(CC)CCCC,"InChI=1/2C16H35N.C4H11O4P/c2*1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-3-4(2)8-9(5,6)7/h2*15-17H,5-14H2,1-4H3;4H,3H2,1-2H3,(H2,5,6,7)",C16H35N.1/2C4H11O4P,,,,,,CUIKHJZJHFKKMT-UHFFFAOYSA-N,,,,,,,,,,,
100.098.849,308-793-8,98510-85-1,"Isobutyl dihydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:2)",isobutyl dihydrogen phosphate - 2-ethyl-N-(2-ethylhexyl)hexan-1-amine (1:2),CC(C)COP(O)(=O)O.CCC(CCCC)CNCC(CC)CCCC.CCC(CCCC)CNCC(CC)CCCC,CC(C)COP(O)(=O)O.CCC(CCCC)CNCC(CC)CCCC.CCC(CCCC)CNCC(CC)CCCC,"InChI=1/2C16H35N.C4H11O4P/c2*1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-4(2)3-8-9(5,6)7/h2*15-17H,5-14H2,1-4H3;4H,3H2,1-2H3,(H2,5,6,7)",C16H35N.1/2C4H11O4P,,,,,,YKSQULBXEMSMNI-UHFFFAOYSA-N,,,,,,,,,,,
100.095.324,304-903-3,94291-77-7,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] hydrogen phosphate - 2,2'-iminodiethanol (1:1)",OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C22H9F38O4P.C4H11NO2/c23-5(24,9(29,30)13(37,38)17(45,46)15(41,42)11(33,34)7(27,19(49,50)51)20(52,53)54)1-3-63-65(61,62)64-4-2-6(25,26)10(31,32)14(39,40)18(47,48)16(43,44)12(35,36)8(28,21(55,56)57)22(58,59)60;6-3-1-5-2-4-7/h1-4H2,(H,61,62);5-7H,1-4H2",C22H9F38O4P.C4H11NO2,,,,,,KWXNYGDGJKISHD-UHFFFAOYSA-N,,,,,,,,,,,
100.095.330,304-910-1,94291-83-5,5-allyl-2-(pentyloxy)anisole,4-allyl-2-methoxy-1-(pentyloxy)benzene,CCCCCOc1ccc(CC=C)cc1OC,CCCCCOc1ccc(CC=C)cc1OC,"InChI=1/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,9-10,12H,2,4,6-8,11H2,1,3H3",C15H22O2,,,,,,JEQOQDNQQSEKIA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.331,304-911-7,94291-84-6,"8-methoxy-2,6-dimethyl-8-(2-phenylethoxy)octan-2-ol","8-methoxy-2,6-dimethyl-8-(2-phenylethoxy)octan-2-ol",COC(CC(C)CCCC(C)(C)O)OCCc1ccccc1,COC(CC(C)CCCC(C)(C)O)OCCc1ccccc1,"InChI=1/C19H32O3/c1-16(9-8-13-19(2,3)20)15-18(21-4)22-14-12-17-10-6-5-7-11-17/h5-7,10-11,16,18,20H,8-9,12-15H2,1-4H3",C19H32O3,,,,,,JHKWGPXCUJMKMV-UHFFFAOYSA-N,,,,,,,,,,,
100.095.339,304-920-6,94291-92-6,Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulphonatobutyrate,sodium hydrogen 2-(stearoylamino)-4-sulfonatobutanoate,[Na+].CCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)[O-])C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)NC(CCS(=O)(=O)[O-])C(=O)[O-],"InChI=1/C22H43NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19-30(27,28)29;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);/q;+1/p-2",C22H43NO6S.Na,,,,,,XDIZPRWNZSWAQP-UHFFFAOYSA-L,,,,,,,,,,,
100.093.849,303-281-0,94159-98-5,"Bis[[2-heptadecyl-4,5-dihydro-4-[[(1-oxooctadecyl)oxy]methyl]-4-oxazolyl]methyl] oxalate","bis({2-heptadecyl-4-[(stearoyloxy)methyl]-4,5-dihydro-1,3-oxazol-4-yl}methyl) oxalate",CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)C(=O)OCC2(COC(=O)CCCCCCCCCCCCCCCCC)COC(=N2)CCCCCCCCCCCCCCCCC)COC(=N1)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)C(=O)OCC2(COC(=O)CCCCCCCCCCCCCCCCC)COC(=N2)CCCCCCCCCCCCCCCCC)COC(=N1)CCCCCCCCCCCCCCCCC,"InChI=1/C82H152N2O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-75-83-81(69-89-75,71-91-77(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-93-79(87)80(88)94-74-82(72-92-78(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)70-90-76(84-82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h5-74H2,1-4H3",C82H152N2O10,,,,,,KURFMYYOHDXINF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.852,303-284-7,94160-03-9,2-hydroxyethyl(trimethyl)ammonium N-acetyl-L-methionate,"2-hydroxy-N,N,N-trimethylethanaminium 2-acetamido-4-(methylsulfanyl)butanoate",CSCC[C@H](NC(=O)C)C(=O)[O-].C[N+](C)(C)CCO,CSCC[C@H](NC(=O)C)C(=O)[O-].C[N+](C)(C)CCO,"InChI=1/C7H13NO3S.C5H14NO/c1-5(9)8-6(7(10)11)3-4-12-2;1-6(2,3)4-5-7/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1",C7H12NO3S.C5H14NO,,,,,,OTKITTZBFOVAMQ-RGMNGODLSA-M,,,,,,,,,,,
100.093.853,303-285-2,94160-04-0,3-amino-4-chloro-N-phenylbenzenesulphonamide,3-amino-4-chloro-N-phenylbenzenesulfonamide,Nc1cc(ccc1Cl)S(=O)(=O)Nc2ccccc2,Nc1cc(ccc1Cl)S(=O)(=O)Nc2ccccc2,"InChI=1/C12H11ClN2O2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-8,15H,14H2",C12H11ClN2O2S,,,,,,ZXDUBUVCNBHUHO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.860,303-293-6,94160-11-9,"Lactic acid, compound with 2-heptadecyl-4,5-dihydro-1H-imidazol-1-ethanol (1:1)","2-hydroxypropanoic acid - 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethanol (1:1)",CCCCCCCCCCCCCCCCCC1=NCCN1CCO.CC(O)C(=O)O,CCCCCCCCCCCCCCCCCC1=NCCN1CCO.CC(O)C(=O)O,"InChI=1/C22H44N2O.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(4)3(5)6/h25H,2-21H2,1H3;2,4H,1H3,(H,5,6)",C22H44N2O.C3H6O3,,,,,,SMWCYGVKINXXML-UHFFFAOYSA-N,,,,,,,,,,,
100.094.856,304-388-5,94249-14-6,"(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexanecarboxylate","(3,4-dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexanecarboxylate",OC1CCC(COC(=O)C2CCC(O)C(O)C2)CC1O,OC1CCC(COC(=O)C2CCC(O)C(O)C2)CC1O,"InChI=1/C14H24O6/c15-10-3-1-8(5-12(10)17)7-20-14(19)9-2-4-11(16)13(18)6-9/h8-13,15-18H,1-7H2",C14H24O6,,,,,,LYQQPZWYRFFELF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.863,304-395-3,94249-21-5,"Potassium sodium 6-(acetylamino)-3-[[2,5-dimethoxy-4-[[2-(sulphonatothio)ethyl]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate","potassium sodium 6-acetamido-3-[(2,5-dimethoxy-4-{[2-(sulfonatosulfanyl)ethyl]sulfonyl}phenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate",[K+].[Na+].COc3cc(c(cc3N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)OC)S(=O)(=O)CCSS([O-])(=O)=O,[K+].[Na+].COc3cc(c(cc3N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)OC)S(=O)(=O)CCSS([O-])(=O)=O,"InChI=1/C22H23N3O12S4.K.Na/c1-12(26)23-14-5-4-13-8-20(40(30,31)32)21(22(27)15(13)9-14)25-24-16-10-18(37-3)19(11-17(16)36-2)39(28,29)7-6-38-41(33,34)35;;/h4-5,8-11,27H,6-7H2,1-3H3,(H,23,26)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",C22H23N3O12S4.xK.xNa,,,,,,DPSGNCQDSZOAKL-UHFFFAOYSA-L,,,,,,,,,,,
100.094.870,304-404-0,94265-98-2,"(S)-1,5-dimethyl-1-vinylhex-4-enyl propionate","1,5-dimethyl-1-vinylhex-4-en-1-yl propionate",CCC(=O)O[C@@](C)(CCC=C(C)C)C=C,CCC(=O)O[C@@](C)(CCC=C(C)C)C=C,"InChI=1/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3",C13H22O2,,,,,,WAQIIHCCEMGYKP-CYBMUJFWSA-N,,,,,,,,,,,
100.094.871,304-405-6,94265-99-3,"(S)-1,5-dimethyl-1-vinylhex-4-enyl isobutyrate","1,5-dimethyl-1-vinylhex-4-en-1-yl 2-methylpropanoate",CC(C)C(=O)O[C@@](C)(CCC=C(C)C)C=C,CC(C)C(=O)O[C@@](C)(CCC=C(C)C)C=C,"InChI=1/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3",C14H24O2,,,,,,JZIARAQCPRDGAC-CQSZACIVSA-N,,,,,,,,,,,
100.093.868,303-301-8,94160-19-7,"Trisodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-sulphonatophenyl)methyl]salicylate","trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]-2-hydroxybenzoate",[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)C(c2ccccc2S([O-])(=O)=O)=C/3/C=C(/C)C(=O)\\C(=C\\3)C([O-])=O,[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)C(c2ccccc2S([O-])(=O)=O)=C/3/C=C(/C)C(=O)\C(=C\3)C([O-])=O,"InChI=1/C22H16O9S.3Na/c1-11-8-13(10-16(20(11)24)22(27)28)19(12-6-7-17(23)15(9-12)21(25)26)14-4-2-3-5-18(14)32(29,30)31;;;/h2-10,23H,1H3,(H,25,26)(H,27,28)(H,29,30,31);;;/q;3*+1/p-3",C22H16O9S.3Na,,,,,,MAODNCNYVBINCP-UHFFFAOYSA-K,,,,,,,,,,,
100.093.869,303-302-3,94160-20-0,Dodecyl[2-(2-hydroxyethoxy)ethyl]dimethylammonium chloride,"N-[2-(2-hydroxyethoxy)ethyl]-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)CCOCCO,[Cl-].CCCCCCCCCCCC[N+](C)(C)CCOCCO,"InChI=1/C18H40NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-19(2,3)15-17-21-18-16-20;/h20H,4-18H2,1-3H3;1H/q+1;/p-1",C18H40NO2.Cl,,,,,,CYYKRMDOOUQCAN-UHFFFAOYSA-M,,,,,,,,,,,
100.094.000,303-446-7,94199-72-1,Disodium dihydrogen [(heptylimino)bis(methylene)]bisphosphonate,disodium dihydrogen [(heptylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.2Na/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;/q;2*+1/p-4",C9H23NO6P2.2Na,,,,,,YLPSWBUHIOXQHP-UHFFFAOYSA-J,,,,,,,,,,,
100.080.868,288-987-6,85958-98-1,"Trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-{[3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)propanoyl]amino}-4-hydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c(O)c4c(cc2S([O-])(=O)=O)cc(cc4NC(=O)CCN3\\N=CC(\\Cl)=C(\\Cl)C3=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c(O)c4c(cc2S([O-])(=O)=O)cc(cc4NC(=O)CCN3\N=CC(\Cl)=C(\Cl)C3=O)S([O-])(=O)=O,"InChI=1/C23H17Cl2N5O12S3.3Na/c24-15-10-26-30(23(33)20(15)25)6-5-18(31)27-16-9-14(44(37,38)39)7-11-8-17(45(40,41)42)21(22(32)19(11)16)29-28-12-1-3-13(4-2-12)43(34,35)36;;;/h1-4,7-10,32H,5-6H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3",C23H17Cl2N5O12S3.3Na,,,,,,AGFMYGHESMMLSS-UHFFFAOYSA-K,,,,,,,,,,,
100.080.870,288-989-7,85959-00-8,"Tetrasodium 7-[[6-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,3,6-trisulphonate","tetrasodium 7-({6-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc4cc(c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(Nc5ccccc5)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc4cc(c(N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)nc(Nc5ccccc5)n6,"InChI=1/C29H20ClN7O13S4.4Na/c30-27-33-28(31-16-4-2-1-3-5-16)35-29(34-27)32-17-6-7-19-14(8-17)11-24(54(48,49)50)25(26(19)38)37-36-21-13-20-15(10-23(21)53(45,46)47)9-18(51(39,40)41)12-22(20)52(42,43)44;;;;/h1-13,38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,31,32,33,34,35);;;;/q;4*+1/p-4",C29H20ClN7O13S4.4Na,,,,,,YZDPNAXQESKVNE-UHFFFAOYSA-J,,,,,,,,,,,
100.079.732,287-735-2,85567-22-2,"2,5,8,10,13,16,17,20,23-nonaoxa-1,9-diborabicyclo[7.7.7]tricosane","2,5,8,10,13,16,17,20,23-nonaoxa-1,9-diborabicyclo[7.7.7]tricosane",C1COB2OCCOCCOB(OCCOCCO2)OCCO1,C1COB2OCCOCCOB(OCCOCCO2)OCCO1,InChI=1/C12H24B2O9/c1-7-18-13-20-9-3-16-5-11-22-14(19-8-2-15-1)23-12-6-17-4-10-21-13/h1-12H2,C12H24B2O9,,,,,,VCTVWFJRWINKQY-UHFFFAOYSA-N,,,,,,,,,,,
100.079.734,287-737-3,85567-24-4,2-[(ethylmethylphosphinyl)oxy]ethyl methacrylate,2-{[ethyl(methyl)phosphoryl]oxy}ethyl methacrylate,CCP(=O)(C)OCCOC(=O)C(=C)C,CCP(=O)(C)OCCOC(=O)C(=C)C,"InChI=1/C9H17O4P/c1-5-14(4,11)13-7-6-12-9(10)8(2)3/h2,5-7H2,1,3-4H3",C9H17O4P,,,,,,NSYQLVPFHHUASQ-UHFFFAOYSA-N,,,,,,,,,,,
100.082.383,290-656-6,90194-45-9,"Benzenesulfonic acid, mono-C10-13-alkyl derivs., sodium salts",sodium 4-dodecylbenzenesulfonate,[Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1",-,,,,,,JHJUUEHSAZXEEO-UHFFFAOYSA-M,,,,,,,,,,,
100.082.400,290-674-4,90210-36-9,"4,5-dihydro-2-[[3-(triethoxysilyl)propyl]thio]-1H-imidazole monohydrochloride","2-{[3-(triethoxysilyl)propyl]sulfanyl}-4,5-dihydro-1H-imidazole hydrochloride",Cl.CCO[Si](CCCSC1=NCCN1)(OCC)OCC,Cl.CCO[Si](CCCSC1=NCCN1)(OCC)OCC,"InChI=1/C12H26N2O3SSi.ClH/c1-4-15-19(16-5-2,17-6-3)11-7-10-18-12-13-8-9-14-12;/h4-11H2,1-3H3,(H,13,14);1H",C12H26N2O3SSi.ClH,,,,,,RLUSMNPPDDEDGS-UHFFFAOYSA-N,,,,,,,,,,,
100.079.738,287-742-0,85567-28-8,"4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethylbutyl acetate","4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethylbutyl acetate",CCC(CCC1C2CCC(C2)C1(C)C)COC(=O)C,CCC(CCC1C2CCC(C2)C1(C)C)COC(=O)C,"InChI=1/C17H30O2/c1-5-13(11-19-12(2)18)6-9-16-14-7-8-15(10-14)17(16,3)4/h13-16H,5-11H2,1-4H3",C17H30O2,,,,,,RFZYOLLVWSKZBD-UHFFFAOYSA-N,,,,,,,,,,,
100.079.741,287-745-7,85567-31-3,2-ethylhexyl 3-methyl-2-butenoate,2-ethylhexyl 3-methylbut-2-enoate,CCCCC(CC)COC(=O)C=C(C)C,CCCCC(CC)COC(=O)C=C(C)C,"InChI=1/C13H24O2/c1-5-7-8-12(6-2)10-15-13(14)9-11(3)4/h9,12H,5-8,10H2,1-4H3",C13H24O2,,,,,,NSVANSSPRLTRGK-UHFFFAOYSA-N,,,,,,,,,,,
100.079.745,287-749-9,85567-35-7,"N,N-bis(2-aminoethyl)stearamide","N,N-bis(2-aminoethyl)octadecanamide",CCCCCCCCCCCCCCCCCC(=O)N(CCN)CCN,CCCCCCCCCCCCCCCCCC(=O)N(CCN)CCN,"InChI=1/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25(20-18-23)21-19-24/h2-21,23-24H2,1H3",C22H47N3O,,,,,,GXMVXAAQVWCSRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.250,289-406-9,88351-59-1,"Methyl N-[3-(acetylamino)-4-[(2-cyano-4,6-dinitrophenyl)azo]phenyl]-N-ethyl-ß-alaninate","methyl N-{3-acetamido-4-[(2-cyano-4,6-dinitrophenyl)diazenyl]phenyl}-N-ethyl-beta-alaninate",COC(=O)CCN(CC)c2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)c2,COC(=O)CCN(CC)c2ccc(N=Nc1c(cc(cc1C#N)[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)c2,"InChI=1/C21H21N7O7/c1-4-26(8-7-20(30)35-3)15-5-6-17(18(10-15)23-13(2)29)24-25-21-14(12-22)9-16(27(31)32)11-19(21)28(33)34/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,29)",C21H21N7O7,,,,,,BCEWNCRIZVBZGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.251,289-407-4,88351-61-5,"Methyl N-[3-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]-N-ethyl-ß-alaninate","methyl N-{3-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]phenyl}-N-ethyl-beta-alaninate",Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CCC(=O)OC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CCC(=O)OC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C20H21BrN6O7/c1-4-25(8-7-19(29)34-3)13-5-6-16(17(10-13)22-12(2)28)23-24-20-15(21)9-14(26(30)31)11-18(20)27(32)33/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,28)",C20H21BrN6O7,,,,,,NXCIMWZLXQMMIF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.257,289-414-2,88470-43-3,2-phenoxyethyl N-methyl-N-[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-ß-alaninate,"2-phenoxyethyl N-methyl-N-{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}-beta-alaninate",O=C(OCCOc1ccccc1)CCN(C)c3ccc(N=Nc2ncc(s2)[N+]([O-])=O)c(C)c3,O=C(OCCOc1ccccc1)CCN(C)c3ccc(N=Nc2ncc(s2)[N+]([O-])=O)c(C)c3,"InChI=1/C22H23N5O5S/c1-16-14-17(8-9-19(16)24-25-22-23-15-20(33-22)27(29)30)26(2)11-10-21(28)32-13-12-31-18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3",C22H23N5O5S,,,,,,MGBYXZXPDPRITM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.731,303-150-8,94158-77-7,"Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-2-(1-ethylpentyl)-4,5-dihydro-1H-imidazolium hydroxide",-,[OH-].[Na+].[Na+].CCCCC(CC)C1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,[OH-].[Na+].[Na+].CCCCC(CC)C1=NCC[N+]1(CCOCC(=O)O)CC(=O)O,"InChI=1/C16H28N2O5.2Na.H2O/c1-3-5-6-13(4-2)16-17-7-8-18(16,11-14(19)20)9-10-23-12-15(21)22;;;/h13H,3-12H2,1-2H3,(H-,19,20,21,22);;;1H2/q;2*+1;",C16H29N2O5.HO.2Na,,,,,,YEILAPRIDAKPAE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.739,303-159-7,94158-85-7,"4-methyl-2,6-bis[[2-(sulphooxy)ethyl]amino]-5-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]nicotinonitrile, sodium salt",-,[Na+].OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(C)c(C#N)c(NCCOS(O)(=O)=O)nc2NCCOS(O)(=O)=O,[Na+].OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(C)c(C#N)c(NCCOS(O)(=O)=O)nc2NCCOS(O)(=O)=O,"InChI=1/C19H24N6O14S4.Na/c1-13-16(12-20)18(21-6-8-37-41(28,29)30)23-19(22-7-9-38-42(31,32)33)17(13)25-24-14-2-4-15(5-3-14)40(26,27)11-10-39-43(34,35)36;/h2-5H,6-11H2,1H3,(H2,21,22,23)(H,28,29,30)(H,31,32,33)(H,34,35,36);/q;+1",C19H24N6O14S4.xNa,,,,,,QGAARQJCGSHJDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.509,302-906-4,94135-37-2,"Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, monosodium salt, (11ß,16a)-","sodium 4-[(9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoate",[Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]4(O)[C@H](O)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\\C(=O)/C=C3/CC[C@@H]12,[Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]4(O)[C@H](O)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/CC[C@@H]12,"InChI=1/C25H31FO9.Na/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32;/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32);/q;+1/p-1",C25H31FO9.Na,,,,,,DZWFFZQAQHUHBB-HTVPOGIWSA-M,,,,,,,,,,,
100.093.525,302-924-2,94135-55-4,Oxiranylmethyl octadecylcarbamate,oxiran-2-ylmethyl octadecylcarbamate,CCCCCCCCCCCCCCCCCCNC(=O)OCC1CO1,CCCCCCCCCCCCCCCCCCNC(=O)OCC1CO1,"InChI=1/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(24)26-20-21-19-25-21/h21H,2-20H2,1H3,(H,23,24)",C22H43NO3,,,,,,INEYIRFSQAWYPP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.531,302-931-0,94135-61-2,Potassium icos-9-enoate,potassium icos-9-enoate,[K+].[O-]C(=O)CCCCCCCC=CCCCCCCCCCC,[K+].[O-]C(=O)CCCCCCCC=CCCCCCCCCCC,"InChI=1/C20H38O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h11-12H,2-10,13-19H2,1H3,(H,21,22);/q;+1/p-1",C20H38O2.K,,,,,,JZEGYCHASAJOIP-UHFFFAOYSA-M,,,,,,,,,,,
100.093.533,302-933-1,94135-63-4,"Adipic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine","hexanedioic acid - N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine (1:1)",NCCNCCNCCNCCN.OC(=O)CCCCC(=O)O,NCCNCCNCCNCCN.OC(=O)CCCCC(=O)O,"InChI=1/C8H23N5.C6H10O4/c9-1-3-11-5-7-13-8-6-12-4-2-10;7-5(8)3-1-2-4-6(9)10/h11-13H,1-10H2;1-4H2,(H,7,8)(H,9,10)",C8H23N5.xC6H10O4,,,,,,ADLPVBCBMDDLJK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.537,302-937-3,94135-67-8,"1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)allyl]piperazinium chloride","1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazin-1-ium chloride",[Cl-].COc1cc(\\C=C\\C(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc(OC)c1OC,[Cl-].COc1cc(\C=C\C(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc(OC)c1OC,"InChI=1/C22H31N3O5.ClH/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1H",C22H31N3O5.ClH,,,,,,SLJMOUWEGNGDIL-UHDJGPCESA-N,,,,,,,,,,,
100.093.539,302-939-4,94135-69-0,"Ethyl 4-(hydroxymethyl)-2,6-dimethoxyphenyl carbonate","ethyl 4-(hydroxymethyl)-2,6-dimethoxyphenyl carbonate",CCOC(=O)Oc1c(OC)cc(CO)cc1OC,CCOC(=O)Oc1c(OC)cc(CO)cc1OC,"InChI=1/C12H16O6/c1-4-17-12(14)18-11-9(15-2)5-8(7-13)6-10(11)16-3/h5-6,13H,4,7H2,1-3H3",C12H16O6,,,,,,DTKWHKUUXAWYLM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.541,302-942-0,94135-71-4,Ethyl N-(N-formyl-3-phenyl-L-alanyl)-3-phenyl-L-alaninate,ethyl N-formyl-L-phenylalanylphenylalaninate,CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC=O,CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC=O,"InChI=1/C21H24N2O4/c1-2-27-21(26)19(14-17-11-7-4-8-12-17)23-20(25)18(22-15-24)13-16-9-5-3-6-10-16/h3-12,15,18-19H,2,13-14H2,1H3,(H,22,24)(H,23,25)",C21H24N2O4,,,,,,WMNMKMOXKDFVCM-OALUTQOASA-N,,,,,,,,,,,
100.093.543,302-944-1,94135-73-6,2-thienylethyl acetate,2-(2-thienyl)ethyl acetate,CC(=O)OCCc1cccs1,CC(=O)OCCc1cccs1,"InChI=1/C8H10O2S/c1-7(9)10-5-4-8-3-2-6-11-8/h2-3,6H,4-5H2,1H3",C8H10O2S,,,,,,DNAUTCUGZWKQBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.549,302-950-4,94135-80-5,N-(2-aminoethyl)octadec-9-enamide monoacetate,N-(2-aminoethyl)octadec-9-enamide acetate,O=C(NCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O,O=C(NCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O,"InChI=1/C20H40N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21;1-2(3)4/h9-10H,2-8,11-19,21H2,1H3,(H,22,23);1H3,(H,3,4)",C20H40N2O.C2H4O2,,,,,,FXPKGZFJOFHPDA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.551,302-953-0,94135-82-7,"DL-serine dihydrogen phosphate, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)","DL-serine dihydrogen phosphate, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)",Oc1c(CO)c(cnc1C)CO.OC(=O)C(N)CO.OP(O)(=O)O,Oc1c(CO)c(cnc1C)CO.OC(=O)C(N)CO.OP(O)(=O)O,"InChI=1/C8H11NO3.C3H7NO3.H3O4P/c1-5-8(12)7(4-11)6(3-10)2-9-5;4-2(1-5)3(6)7;1-5(2,3)4/h2,10-12H,3-4H2,1H3;2,5H,1,4H2,(H,6,7);(H3,1,2,3,4)",C8H11NO3.C3H8NO6P,,,,,,UNQGQQNEGRPVEN-UHFFFAOYSA-N,,,,,,,,,,,
100.095.351,304-933-7,94292-04-3,"3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium trichlorozincate(1-)","3-{[4-(diethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium trichlorozincate(1-)",Cl[Zn-](Cl)Cl.CCN(CC)c1ccc(cc1)N=N\\C2=N\\[NH+](C)CN2C,Cl[Zn-](Cl)Cl.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C,"InChI=1/C14H22N6.3ClH.Zn/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;;;;/h7-10H,5-6,11H2,1-4H3;3*1H;/q;;;;+2/p-2/rC14H22N6.Cl3Zn/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-4(2)3/h7-10H,5-6,11H2,1-4H3;/q;-1/p+1",C14H21N6.Cl3Zn,,,,,,HTZAOZBWAQOWOF-UHFFFAOYSA-L,,,,,,,,,,,
100.095.770,305-394-0,94481-67-1,(S)-4-[(benzoyl-5-oxopyrrolidin-2-yl)carbonyl]morpholine,1-benzoyl-5-(morpholin-4-ylcarbonyl)pyrrolidin-2-one,O=C([C@@H]1CCC(=O)N1C(=O)c2ccccc2)N3CCOCC3,O=C([C@@H]1CCC(=O)N1C(=O)c2ccccc2)N3CCOCC3,"InChI=1/C16H18N2O4/c19-14-7-6-13(16(21)17-8-10-22-11-9-17)18(14)15(20)12-4-2-1-3-5-12/h1-5,13H,6-11H2",C16H18N2O4,,,,,,RUYWHIXOSWODCC-ZDUSSCGKSA-N,,,,,,,,,,,
100.095.775,305-399-8,94481-72-8,1-deoxy-1-nitro-L-galactitol,6-deoxy-6-nitro-D-galactitol,OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C[N+](=O)[O-],OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C[N+](=O)[O-],"InChI=1/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2",C6H13NO7,,,,,,HOFCJTOUEGMYBT-DPYQTVNSSA-N,,,,,,,,,,,
100.095.777,305-401-7,94482-37-8,Tri-O-acetyl-5-O-trityl-D-ribofuranose,"1,2,3-tri-O-acetyl-5-O-trityl-D-ribofuranose",CC(=O)OC1O[C@H](COC(c2ccccc2)(c3ccccc3)c4ccccc4)[C@@H](OC(=O)C)[C@H]1OC(=O)C,CC(=O)OC1O[C@H](COC(c2ccccc2)(c3ccccc3)c4ccccc4)[C@@H](OC(=O)C)[C@H]1OC(=O)C,"InChI=1/C30H30O8/c1-20(31)35-27-26(38-29(37-22(3)33)28(27)36-21(2)32)19-34-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-29H,19H2,1-3H3",C30H30O8,,,,,,VSTZPGHVUIYDQE-QSVYOFFDSA-N,,,,,,,,,,,
100.097.077,306-836-5,97416-87-0,(E)-5-(3-hexenyl)dihydrofuran-2(3H)-one,5-hex-3-en-1-yldihydrofuran-2(3H)-one,CC\\C=C\\CCC1CCC(=O)O1,CC\C=C\CCC1CCC(=O)O1,"InChI=1/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3",C10H16O2,,,,,,NKNGVPNCSFZRSM-ONEGZZNKSA-N,,,,,,,,,,,
100.097.087,306-847-5,97416-97-2,"Tripotassium 4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate","tripotassium 4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[K+].[K+].[K+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2\\C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)C([O-])=O)c(OC)cc3,[K+].[K+].[K+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=NC2\C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)C([O-])=O)c(OC)cc3,"InChI=1/C19H18N4O13S3.3K/c1-35-15-7-6-13(37(27,28)9-8-36-39(32,33)34)10-14(15)20-21-16-17(19(25)26)22-23(18(16)24)11-2-4-12(5-3-11)38(29,30)31;;;/h2-7,10,16H,8-9H2,1H3,(H,25,26)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3",C19H18N4O13S3.3K,,,,,,FXDZTRRZZIKKMQ-UHFFFAOYSA-K,,,,,,,,,,,
100.097.096,306-856-4,97434-79-2,"Decanoic acid, iron(3+) salt, basic",-,[Fe+3].OC(=O)CCCCCCCCC,[Fe+3].OC(=O)CCCCCCCCC,"InChI=1/C10H20O2.Fe/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+3",-,,,,,,NGZMMFGOKYZECD-UHFFFAOYSA-N,,,,,,,,,,,
100.098.851,308-795-9,98510-87-3,"Diisobutyl hydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:1)",diisobutyl hydrogen phosphate - 2-ethyl-N-(2-ethylhexyl)hexan-1-amine (1:1),CCCCC(CC)CNCC(CC)CCCC.CC(C)COP(=O)(O)OCC(C)C,CCCCC(CC)CNCC(CC)CCCC.CC(C)COP(=O)(O)OCC(C)C,"InChI=1/C16H35N.C8H19O4P/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-7(2)5-11-13(9,10)12-6-8(3)4/h15-17H,5-14H2,1-4H3;7-8H,5-6H2,1-4H3,(H,9,10)",C16H35N.C8H19O4P,,,,,,JLXYSAJTTSZEHE-UHFFFAOYSA-N,,,,,,,,,,,
100.095.373,304-957-8,94313-60-7,"2,3-dihydroxypropyl octadecylcarbamate","2,3-dihydroxypropyl octadecylcarbamate",CCCCCCCCCCCCCCCCCCNC(=O)OCC(O)CO,CCCCCCCCCCCCCCCCCCNC(=O)OCC(O)CO,"InChI=1/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(26)27-20-21(25)19-24/h21,24-25H,2-20H2,1H3,(H,23,26)",C22H45NO4,,,,,,MYNLMVLLTVSZCB-UHFFFAOYSA-N,,,,,,,,,,,
100.096.889,306-628-4,97358-54-8,(E)-1-(1-methoxypropoxy)hex-3-ene,1-(1-methoxypropoxy)hex-3-ene,CC\\C=C\\CCOC(CC)OC,CC\C=C\CCOC(CC)OC,"InChI=1/C10H20O2/c1-4-6-7-8-9-12-10(5-2)11-3/h6-7,10H,4-5,8-9H2,1-3H3",C10H20O2,,,,,,LDUYDLGCMTVIIO-VOTSOKGWSA-N,,,,,,,,,,,
100.096.891,306-631-0,97358-56-0,L-arginine mono[(R)-thiazolidine-4-carboxylate],"1,3-thiazolidine-4-carboxylic acid - L-arginine (1:1)",N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CSCN1,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CSCN1,"InChI=1/C6H14N4O2.C4H7NO2S/c7-4(5(11)12)2-1-3-10-6(8)9;6-4(7)3-1-8-2-5-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3,5H,1-2H2,(H,6,7)",C6H14N4O2.C4H7NO2S,,,,,,JEOQACOXAOEPLX-WOYAITHZSA-N,,,,,,,,,,,
100.098.653,308-576-8,98106-55-9,Octaaluminium zirconium octachloride icosahydroxide,octaaluminium zirconium octachloride icosahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2],InChI=1/8Al.8ClH.20H2O.Zr/h;;;;;;;;8*1H;20*1H2;/q8*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2/p-28,Al8Cl8H20O20Zr,,,,,,MRFCJUZTBDTUMT-UHFFFAOYSA-A,,,,,,,,,,,
100.094.005,303-451-4,94199-77-6,Disodium dihydrogen [(butylimino)bis(methylene)]bisphosphonate,disodium dihydrogen [(butylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.2Na/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;/q;2*+1/p-4",C6H17NO6P2.2Na,,,,,,HCVBBTGJOXHHQO-UHFFFAOYSA-J,,,,,,,,,,,
100.094.006,303-453-5,94199-78-7,Disodium dihydrogen [(propylimino)bis(methylene)]diphosphonate,disodium dihydrogen [(propylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.2Na/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4",C5H15NO6P2.2Na,,,,,,BVUGTJJXUNASMD-UHFFFAOYSA-J,,,,,,,,,,,
100.094.008,303-455-6,94199-80-1,Tetrasodium [(propylimino)bis(methylene)]diphosphonate,tetrasodium [(propylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.4Na/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4",C5H15NO6P2.4Na,,,,,,QERBDUDCPJCLER-UHFFFAOYSA-J,,,,,,,,,,,
100.094.009,303-456-1,94199-81-2,Disodium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,disodium dihydrogen [(isopropylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.2Na/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4",C5H15NO6P2.2Na,,,,,,OLVZKKXNNWXAPU-UHFFFAOYSA-J,,,,,,,,,,,
100.094.017,303-465-0,94199-89-0,"D-glucitol 1,3-bis(bromoacetate)","1,3-bis-O-(bromoacetyl)-D-glucitol",OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@@H](O)COC(=O)CBr,OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@@H](O)COC(=O)CBr,"InChI=1/C10H16Br2O8/c11-1-7(16)19-4-6(15)10(20-8(17)2-12)9(18)5(14)3-13/h5-6,9-10,13-15,18H,1-4H2",C10H16Br2O8,,,,,,NCROLHPKBLFQFE-MLTZYSBQSA-N,,,,,,,,,,,
100.094.022,303-470-8,94199-94-7,3-(2-chlorophenyl)-1-triazene-1-carbonitrile,3-(2-chlorophenyl)triaz-1-ene-1-carbonitrile,Clc1ccccc1NN=NC#N,Clc1ccccc1NN=NC#N,"InChI=1/C7H5ClN4/c8-6-3-1-2-4-7(6)11-12-10-5-9/h1-4H,(H,10,11)",C7H5ClN4,,,,,,YHBQBRUPXPUFFY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.351,306-037-1,95873-48-6,"Bis[[3-(acryloyloxy)-2,2-dimethylpropyl]dimethylammonium] sulphate","bis[3-(acryloyloxy)-N,N,2,2-tetramethylpropan-1-aminium] sulfate",C[NH+](C)CC(C)(C)COC(=O)C=C.C[NH+](C)CC(C)(C)COC(=O)C=C.[O-]S(=O)(=O)[O-],C[NH+](C)CC(C)(C)COC(=O)C=C.C[NH+](C)CC(C)(C)COC(=O)C=C.[O-]S(=O)(=O)[O-],"InChI=1/2C10H19NO2.H2O4S/c2*1-6-9(12)13-8-10(2,3)7-11(4)5;1-5(2,3)4/h2*6H,1,7-8H2,2-5H3;(H2,1,2,3,4)",C10H19NO2.1/2H2O4S,,,,,,WJSTVUXBKGTLBZ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.356,306-042-9,95873-53-3,Allylbis(2-hydroxyethyl)oleylammonium chloride,"N-allyl-N,N-bis(2-hydroxyethyl)octadec-9-en-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](CCO)(CCO)CC=C,[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](CCO)(CCO)CC=C,"InChI=1/C25H50NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(20-4-2,22-24-27)23-25-28;/h4,11-12,27-28H,2-3,5-10,13-25H2,1H3;1H/q+1;/p-1",C25H50NO2.Cl,,,,,,DMMNIJFBWQIYHR-AFEZEDKISA-M,,,,,,,,,,,
100.096.357,306-043-4,95873-54-4,Allylbis(2-hydroxypropyl)oleylammonium chloride,"N-allyl-N,N-bis(2-hydroxypropyl)octadec-9-en-1-aminium chloride",[Cl-].CCCCCCCC\\C=C/CCCCCCCC[N+](CC=C)(CC(C)O)CC(C)O,[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](CC=C)(CC(C)O)CC(C)O,"InChI=1/C27H54NO2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(22-6-2,24-26(3)29)25-27(4)30;/h6,13-14,26-27,29-30H,2,5,7-12,15-25H2,1,3-4H3;1H/q+1;/p-1",C27H54NO2.Cl,,,,,,WSUXIQNBHBCBRI-HPWRNOGASA-M,,,,,,,,,,,
100.096.360,306-047-6,95873-57-7,"Disodium 2-methyl-4-[[4-[[4-[(3-tolyl)amino]phenyl][4-[(3-methyl-4-sulphonatophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulphonate","disodium 2-methyl-4-{[4-({4-[(3-methylphenyl)amino]phenyl}{4-[(3-methyl-4-sulfonatophenyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene]amino}benzenesulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1C)Nc2ccc(cc2)/C(c4ccc(Nc3cc(C)ccc3)cc4)=C\\5/C=C\\C(/C=C/5)=Nc6cc(C)c(cc6)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1C)Nc2ccc(cc2)/C(c4ccc(Nc3cc(C)ccc3)cc4)=C\5/C=C\C(/C=C/5)=Nc6cc(C)c(cc6)S([O-])(=O)=O,"InChI=1/C40H35N3O6S2.2Na/c1-26-5-4-6-35(23-26)41-32-13-7-29(8-14-32)40(30-9-15-33(16-10-30)42-36-19-21-38(27(2)24-36)50(44,45)46)31-11-17-34(18-12-31)43-37-20-22-39(28(3)25-37)51(47,48)49;;/h4-25,41-42H,1-3H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",C40H35N3O6S2.2Na,,,,,,BSYWGPDWFWXDCJ-FBASBXHASA-L,,,,,,,,,,,
100.096.367,306-054-4,95873-64-6,N-(1-oxo-2-phenylbutyl)-L-methionine,N-(2-phenylbutanoyl)-L-methionine,CCC(C(=O)N[C@@H](CCSC)C(=O)O)c1ccccc1,CCC(C(=O)N[C@@H](CCSC)C(=O)O)c1ccccc1,"InChI=1/C15H21NO3S/c1-3-12(11-7-5-4-6-8-11)14(17)16-13(15(18)19)9-10-20-2/h4-8,12-13H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)",C15H21NO3S,,,,,,PPPZIKYQTYHWJF-ABLWVSNPSA-N,,,,,,,,,,,
100.081.258,289-415-8,88482-23-9,"4-methyl-1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone","4-methyl-1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone",Cc1c2C(=O)OC(=O)c2cc3C(=O)OC(=O)c13,Cc1c2C(=O)OC(=O)c2cc3C(=O)OC(=O)c13,"InChI=1/C11H4O6/c1-3-6-4(8(12)16-10(6)14)2-5-7(3)11(15)17-9(5)13/h2H,1H3",C11H4O6,,,,,,VNJSMTXECMSPRW-UHFFFAOYSA-N,,,,,,,,,,,
100.081.270,289-428-9,88569-39-5,"7-chloro-6-fluoro-1,4-dihydro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid","7-chloro-6-fluoro-1-(methylamino)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",CNN1C=C(C(=O)O)C(=O)c2cc(F)c(Cl)cc12,CNN1C=C(C(=O)O)C(=O)c2cc(F)c(Cl)cc12,"InChI=1/C11H8ClFN2O3/c1-14-15-4-6(11(17)18)10(16)5-2-8(13)7(12)3-9(5)15/h2-4,14H,1H3,(H,17,18)",C11H8ClFN2O3,,,,,,RCNJBEXSAWUACU-UHFFFAOYSA-N,,,,,,,,,,,
100.081.273,289-432-0,88637-37-0,"[2-(diphenylmethoxy)ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate","2-(diphenylmethoxy)-N,N-dimethylethanaminium dihydrogen citrate",C[NH+](C)CCOC(c1ccccc1)c2ccccc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],C[NH+](C)CCOC(c1ccccc1)c2ccccc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C17H21NO.C6H8O7/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,17H,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C17H21NO.C6H8O7,,,,,,SPCKHVPPRJWQRZ-UHFFFAOYSA-L,,,,,,,,,,,
100.081.274,289-433-6,88641-44-5,Retinyl heptanoate,O~15~-heptanoylretinoic acid,CCCCCCC(=O)OC(=O)\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C,CCCCCCC(=O)OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1/C27H40O3/c1-7-8-9-10-16-25(28)30-26(29)20-22(3)14-11-13-21(2)17-18-24-23(4)15-12-19-27(24,5)6/h11,13-14,17-18,20H,7-10,12,15-16,19H2,1-6H3",C27H42O2,,,,,,WOCSZWGRFOZCKT-NDTUGLLYSA-N,,,,,,,,,,,
100.081.276,289-435-7,88653-15-0,1-amino-4-[(3-methoxyphenyl)amino]anthraquinone,"1-amino-4-[(3-methoxyphenyl)amino]-9,10-anthraquinone",COc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1,COc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1,"InChI=1/C21H16N2O3/c1-26-13-6-4-5-12(11-13)23-17-10-9-16(22)18-19(17)21(25)15-8-3-2-7-14(15)20(18)24/h2-11,23H,22H2,1H3",C21H16N2O3,,,,,,UNQABTJUSVYLOV-UHFFFAOYSA-N,,,,,,,,,,,
100.081.278,289-437-8,88660-51-9,(S)-nicotine dicitrate,"3-(1-methylpyrrolidin-2-yl)pyridine bis(2-hydroxypropane-1,2,3-tricarboxylate) (salt)",CN1CCC[C@H]1c2cccnc2.OC(=O)CC(O)(CC(=O)O)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O,CN1CCC[C@H]1c2cccnc2.OC(=O)CC(O)(CC(=O)O)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C10H14N2.2C6H8O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C10H14N2.2C6H8O7,,,,,,RLNVFOZAFUJKJH-XRIOVQLTSA-N,,,,,,,,,,,
100.081.292,289-453-5,88938-56-1,[[5-acetamido-4-[(5-nitrothiazol-2-yl)azo]-2-methoxyphenyl]imino]diethyl dipropionate,"({5-acetamido-2-methoxy-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}imino)diethane-1,1-diyl dipropanoate",CCC(=O)OC(C)N(C(C)OC(=O)CC)c2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2OC,CCC(=O)OC(C)N(C(C)OC(=O)CC)c2cc(NC(C)=O)c(N=Nc1ncc(s1)[N+]([O-])=O)cc2OC,"InChI=1/C22H28N6O8S/c1-7-20(30)35-13(4)27(14(5)36-21(31)8-2)17-9-15(24-12(3)29)16(10-18(17)34-6)25-26-22-23-11-19(37-22)28(32)33/h9-11,13-14H,7-8H2,1-6H3,(H,24,29)",C22H28N6O8S,,,,,,ZEFCWPQBGCKBFF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.298,289-459-8,88992-91-0,Dimethyl[2-[(1-oxoallyl)oxy]ethyl][3-sulphopropyl]ammonium hydroxide,"N-[2-(acryloyloxy)ethyl]-N,N-dimethyl-3-sulfopropan-1-aminium hydroxide",[OH-].C[N+](C)(CCCS(=O)(=O)O)CCOC(=O)C=C,[OH-].C[N+](C)(CCCS(=O)(=O)O)CCOC(=O)C=C,"InChI=1/C10H19NO5S.H2O/c1-4-10(12)16-8-7-11(2,3)6-5-9-17(13,14)15;/h4H,1,5-9H2,2-3H3;1H2",C10H19NO5S,,,,,,KVMZHSRZKYWFCE-UHFFFAOYSA-N,,,,,,,,,,,
100.081.299,289-460-3,89022-83-3,"3,5-di-tert-butyl-4-hydroxybenzyl propionate","3,5-di-tert-butyl-4-hydroxybenzyl propionate",CCC(=O)OCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,CCC(=O)OCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,"InChI=1/C18H28O3/c1-8-15(19)21-11-12-9-13(17(2,3)4)16(20)14(10-12)18(5,6)7/h9-10,20H,8,11H2,1-7H3",C18H28O3,,,,,,IHHBZEDPSGRLEW-UHFFFAOYSA-N,,,,,,,,,,,
100.081.316,289-479-7,89193-16-8,Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate,ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate,CCOC(=O)c1cnn(c1C)c2ccccc2,CCOC(=O)c1cnn(c1C)c2ccccc2,"InChI=1/C13H14N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3",C13H14N2O2,,,,,,XYIOIOHRWLZCDM-UHFFFAOYSA-N,,,,,,,,,,,
100.081.317,289-480-2,89217-68-5,4-[(1-oxo-3-phenylallyl)amino]benzenesulphonic acid,4-(cinnamoylamino)benzenesulfonic acid,OS(=O)(=O)c1ccc(NC(=O)\\C=C\\c2ccccc2)cc1,OS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1,"InChI=1/C15H13NO4S/c17-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(10-8-13)21(18,19)20/h1-11H,(H,16,17)(H,18,19,20)",C15H13NO4S,,,,,,WRSKRHBACBNALX-IZZDOVSWSA-N,,,,,,,,,,,
100.081.325,289-489-1,89329-11-3,"(2R-trans)-2-[2,2-bis[4-(acetoxy)phenyl]-1,3-benzodioxol-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol","[5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-1,3-benzodioxole-2,2-diyl]di-4,1-phenylene diacetate",CC(=O)Oc1ccc(cc1)C2(Oc3ccc(cc3O2)[C@H]4Oc5cc(O)cc(O)c5C[C@@H]4O)c6ccc(OC(=O)C)cc6,CC(=O)Oc1ccc(cc1)C2(Oc3ccc(cc3O2)[C@H]4Oc5cc(O)cc(O)c5C[C@@H]4O)c6ccc(OC(=O)C)cc6,"InChI=1/C32H26O10/c1-17(33)38-23-8-4-20(5-9-23)32(21-6-10-24(11-7-21)39-18(2)34)41-28-12-3-19(13-30(28)42-32)31-27(37)16-25-26(36)14-22(35)15-29(25)40-31/h3-15,27,31,35-37H,16H2,1-2H3",C32H26O10,,,,,,LFPLGZNEEHJDAC-JTSJOTPCSA-N,,,,,,,,,,,
100.093.552,302-954-6,94135-83-8,"1-decyl 2-[[1-(2-chloro-5-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate","4-chloro-3-[4-({2-[(decyloxy)carbonyl]phenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid",CCCCCCCCCCOC(=O)c3ccccc3N=NC2C(\\C)=N/N(c1cc(ccc1Cl)S(O)(=O)=O)C2=O,CCCCCCCCCCOC(=O)c3ccccc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S(O)(=O)=O)C2=O,"InChI=1/C27H33ClN4O6S/c1-3-4-5-6-7-8-9-12-17-38-27(34)21-13-10-11-14-23(21)29-30-25-19(2)31-32(26(25)33)24-18-20(39(35,36)37)15-16-22(24)28/h10-11,13-16,18,25H,3-9,12,17H2,1-2H3,(H,35,36,37)",C27H33ClN4O6S,,,,,,UWDKFYCYPLPWCD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.554,302-956-7,94135-85-0,"Tetrasodium 4-hydroxy-5-[[4-[[[[5-hydroxy-6-[(2-methoxy-5-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-2,7-disulphonate","tetrasodium 4-hydroxy-5-({4-[({5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc3cc(C)c(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)ccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc6ccc(cc6N=Nc5c(cc4cc(NC(=O)Nc3cc(C)c(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)cc3OC)ccc4c5O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C36H30N6O17S4.4Na/c1-17-8-26(31(59-3)16-25(17)39-41-28-14-22(61(49,50)51)10-19-11-23(62(52,53)54)15-29(43)33(19)28)38-36(45)37-20-4-6-24-18(9-20)12-32(63(55,56)57)34(35(24)44)42-40-27-13-21(60(46,47)48)5-7-30(27)58-2;;;;/h4-16,43-44H,1-3H3,(H2,37,38,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4",C36H30N6O17S4.4Na,,,,,,AKXPFNSOBXKUND-UHFFFAOYSA-J,,,,,,,,,,,
100.093.560,302-963-5,94135-91-8,1-(p-fluorophenyl)piperazinium acetate,1-(4-fluorophenyl)piperazin-1-ium acetate,CC(=O)[O-].Fc1ccc(cc1)[NH+]2CCNCC2,CC(=O)[O-].Fc1ccc(cc1)[NH+]2CCNCC2,"InChI=1/C10H13FN2.C2H4O2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;1-2(3)4/h1-4,12H,5-8H2;1H3,(H,3,4)",C10H13FN2.C2H4O2,,,,,,WONJAZCBCOIPRF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.562,302-965-6,94135-93-0,1-ethoxyhex-3-ene,1-ethoxyhex-3-ene,CCOCCC=CCC,CCOCCC=CCC,"InChI=1/C8H16O/c1-3-5-6-7-8-9-4-2/h5-6H,3-4,7-8H2,1-2H3",C8H16O,,,,,,KKLPFVDULNZJLW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.563,302-966-1,94135-94-1,Allyl oct-2-enoate,allyl oct-2-enoate,C=CCOC(=O)C=CCCCCC,C=CCOC(=O)C=CCCCCC,"InChI=1/C11H18O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4,8-9H,2-3,5-7,10H2,1H3",C11H18O2,,,,,,ZXSSSENGZAYAMP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.566,302-969-8,94135-97-4,"a-ethyl-ß,ß,4-trimethylcyclohex-3-ene-1-ethanol",2-methyl-2-(4-methylcyclohex-3-en-1-yl)pentan-3-ol,CCC(O)C(C)(C)C1CCC(=CC1)C,CCC(O)C(C)(C)C1CCC(=CC1)C,"InChI=1/C13H24O/c1-5-12(14)13(3,4)11-8-6-10(2)7-9-11/h6,11-12,14H,5,7-9H2,1-4H3",C13H24O,,,,,,CRZOWJXAIMZJNI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.577,302-981-3,94138-66-6,"a-(isopropyl)-<U+03B3>,<U+03B3>-dimethylcyclohexanepropanol","5-cyclohexyl-2,5-dimethylhexan-3-ol",CC(C)C(O)CC(C)(C)C1CCCCC1,CC(C)C(O)CC(C)(C)C1CCCCC1,"InChI=1/C14H28O/c1-11(2)13(15)10-14(3,4)12-8-6-5-7-9-12/h11-13,15H,5-10H2,1-4H3",C14H28O,,,,,,BHHSAAAGWSTDGV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.595,303-001-7,94138-86-0,Hexatriacontyl acrylate,hexatriacontyl acrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C39H76O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-41-39(40)4-2/h4H,2-3,5-38H2,1H3",C39H76O2,,,,,,DCRGAFCIPVMICZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.597,303-003-8,94138-88-2,"1,4-bis(2-ethylhexyl) 2-sulphosuccinate, compound with 2,2'-iminobis[ethanol] (1:1)","1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid - 2,2'-iminodiethanol (1:1)",CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.OCCNCCO,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.OCCNCCO,"InChI=1/C20H38O7S.C4H11NO2/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;6-3-1-5-2-4-7/h16-18H,5-15H2,1-4H3,(H,23,24,25);5-7H,1-4H2",C20H38O7S.C4H11NO2,,,,,,YEEPFWALIDZFLC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.601,303-008-5,94138-92-8,Trilithium sulphonatosuccinate,trilithium 2-sulfonatosuccinate,[Li+].[Li+].[Li+].[O-]C(=O)CC(C(=O)[O-])S(=O)(=O)[O-],[Li+].[Li+].[Li+].[O-]C(=O)CC(C(=O)[O-])S(=O)(=O)[O-],"InChI=1/C4H6O7S.3Li/c5-3(6)1-2(4(7)8)12(9,10)11;;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;3*+1/p-3",C4H6O7S.3Li,,,,,,UCLIDXQZAJKEIY-UHFFFAOYSA-K,,,,,,,,,,,
100.093.605,303-012-7,94138-97-3,Bis[2-(2-hydroxyethoxy)ethyl]methyloctadecylammonium chloride,"N,N-bis[2-(2-hydroxyethoxy)ethyl]-N-methyloctadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(CCOCCO)CCOCCO,[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(CCOCCO)CCOCCO,"InChI=1/C27H58NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(2,20-24-31-26-22-29)21-25-32-27-23-30;/h29-30H,3-27H2,1-2H3;1H/q+1;/p-1",C27H58NO4.Cl,,,,,,XNQVDZMFICXFEO-UHFFFAOYSA-M,,,,,,,,,,,
100.093.612,303-020-0,94139-05-6,"Ethyl (2R-trans)-4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]benzoate","ethyl 4-[2-phenyl-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-1,3-benzodioxol-2-yl]benzoate",CCOC(=O)c1ccc(cc1)C2(Oc3ccc(cc3O2)C4Oc5cc(O)cc(O)c5CC4O)c6ccccc6,CCOC(=O)c1ccc(cc1)C2(Oc3ccc(cc3O2)C4Oc5cc(O)cc(O)c5CC4O)c6ccccc6,"InChI=1/C31H26O8/c1-2-36-30(35)18-8-11-21(12-9-18)31(20-6-4-3-5-7-20)38-26-13-10-19(14-28(26)39-31)29-25(34)17-23-24(33)15-22(32)16-27(23)37-29/h3-16,25,29,32-34H,2,17H2,1H3",C31H26O8,,,,,,BFAZTBZPPMMBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.098.690,308-619-0,98143-53-4,"Phosphoric acid, ethyl ester, compd. with 2,2',2''-nitrilotris[ethanol]","ethyl dihydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",CCOP(=O)(O)O.OCCN(CCO)CCO,CCOP(=O)(O)O.OCCN(CCO)CCO,"InChI=1/C6H15NO3.C2H7O4P/c8-4-1-7(2-5-9)3-6-10;1-2-6-7(3,4)5/h8-10H,1-6H2;2H2,1H3,(H2,3,4,5)",-,,,,,,HNBWUMHFYPKJFF-UHFFFAOYSA-N,,,,,,,,,,,
100.096.966,306-713-6,97392-77-3,Sodium bis(2-ethylhexyl) methyl-2-(sulphonatooxy)ethyl phosphate,sodium 2-({bis[(2-ethylhexyl)oxy]phosphoryl}oxy)propyl sulfate,[Na+].CCCCC(CC)COP(=O)(OCC(CC)CCCC)OC(C)COS(=O)(=O)[O-],[Na+].CCCCC(CC)COP(=O)(OCC(CC)CCCC)OC(C)COS(=O)(=O)[O-],"InChI=1/C19H41O8PS.Na/c1-6-10-12-18(8-3)15-24-28(20,25-16-19(9-4)13-11-7-2)27-17(5)14-26-29(21,22)23;/h17-19H,6-16H2,1-5H3,(H,21,22,23);/q;+1/p-1",C19H41O8PS.Na,,,,,,QBSFNMHLFDGIAQ-UHFFFAOYSA-M,,,,,,,,,,,
100.096.995,306-745-0,97403-83-3,3-allyl-1-methyl-2-thioxoimidazolidin-4-one,3-allyl-1-methyl-2-thioxoimidazolidin-4-one,CN1CC(=O)N(CC=C)C1=S,CN1CC(=O)N(CC=C)C1=S,"InChI=1/C7H10N2OS/c1-3-4-9-6(10)5-8(2)7(9)11/h3H,1,4-5H2,2H3",C7H10N2OS,,,,,,CSOZJWJXTNWDRD-UHFFFAOYSA-N,,,,,,,,,,,
100.096.996,306-746-6,97403-84-4,Tribarium citrate,tribarium citrate,[Ba+2].[Ba+2].[Ba+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ba+2].[Ba+2].[Ba+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.3Ba/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.3Ba,,,,,,PAVWOHWZXOQYDB-UHFFFAOYSA-H,,,,,,,,,,,
100.097.455,307-251-8,97553-88-3,"1-Docosanol, phosphate, potassium salt",-,[K+].CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[K+].CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C22H47O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H2,23,24,25);/q;+1/p-2",-,,,,,,AKKUBWZGLNJVLE-UHFFFAOYSA-L,,,,,,,,,,,
100.095.646,305-258-0,94386-36-4,"Sodium 2-[(3,6,9,12,15-pentaoxatritriacont-24-enyl)oxy]-2-oxoethane-1-sulphonate","sodium 2-oxo-3,6,9,12,15,18-hexaoxahexatriacont-27-ene-1-sulfonate",[Na+].[O-]S(=O)(=O)CC(=O)OCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC,[Na+].[O-]S(=O)(=O)CC(=O)OCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC,"InChI=1/C30H58O10S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-19-20-36-21-22-37-23-24-38-25-26-39-27-28-40-30(31)29-41(32,33)34;/h9-10H,2-8,11-29H2,1H3,(H,32,33,34);/q;+1/p-1",C30H58O10S.Na,,,,,,BRYCZXOXNZOUHR-UHFFFAOYSA-M,,,,,,,,,,,
100.095.647,305-259-6,94386-37-5,Sodium 1-[2-[2-[2-(octadec-9-enyloxy)ethoxy]ethoxy]ethyl] sulphonatoacetate,"sodium 2-oxo-3,6,9,12-tetraoxatriacont-21-ene-1-sulfonate",[Na+].[O-]S(=O)(=O)CC(=O)OCCOCCOCCOCCCCCCCCC=CCCCCCCCC,[Na+].[O-]S(=O)(=O)CC(=O)OCCOCCOCCOCCCCCCCCC=CCCCCCCCC,"InChI=1/C26H50O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19-20-32-21-22-33-23-24-34-26(27)25-35(28,29)30;/h9-10H,2-8,11-25H2,1H3,(H,28,29,30);/q;+1/p-1",C26H50O8S.Na,,,,,,GXNWSEIJFSCISK-UHFFFAOYSA-M,,,,,,,,,,,
100.095.654,305-266-4,94386-44-4,3-allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one,"3-allyl-5-[2-chloro-4-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)but-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one",O=C3N(CC=C)C(=S)SC3=CC(Cl)=CC=C2Sc1ccccc1N2C,O=C3N(CC=C)C(=S)SC3=CC(Cl)=CC=C2Sc1ccccc1N2C,"InChI=1/C18H15ClN2OS3/c1-3-10-21-17(22)15(25-18(21)23)11-12(19)8-9-16-20(2)13-6-4-5-7-14(13)24-16/h3-9,11H,1,10H2,2H3",C18H15ClN2OS3,,,,,,GGZCNFWOKAWLEU-UHFFFAOYSA-N,,,,,,,,,,,
100.095.656,305-269-0,94386-46-6,1-[4-(2-methyl-2-pentenyl)phenyl]ethan-1-one,1-[4-(2-methylpent-2-en-1-yl)phenyl]ethanone,CC(=O)c1ccc(CC(C)=CCC)cc1,CC(=O)c1ccc(CC(C)=CCC)cc1,"InChI=1/C14H18O/c1-4-5-11(2)10-13-6-8-14(9-7-13)12(3)15/h5-9H,4,10H2,1-3H3",C14H18O,,,,,,JYKPODDVWQNCRG-UHFFFAOYSA-N,,,,,,,,,,,
100.095.659,305-272-7,94386-49-9,"8-amino-5-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonic acid","8-amino-5-{[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonic acid",Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1c(cccc1C(=O)c23)S(O)(=O)=O)S(O)(=O)=O)cc4)c(c5)S(O)(=O)=O)nc(Cl)n6,Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1c(cccc1C(=O)c23)S(O)(=O)=O)S(O)(=O)=O)cc4)c(c5)S(O)(=O)=O)nc(Cl)n6,"InChI=1/C29H18Cl2N8O11S3/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)25(40)15-2-1-3-18(51(42,43)44)21(15)26(23)41/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37)",C29H18Cl2N8O11S3,,,,,,REZFNOACKXSQGH-UHFFFAOYSA-N,,,,,,,,,,,
100.095.662,305-275-3,94386-52-4,1-O-[2-hydroxy-3-[methyloleoylamino]propyl]-D-glucitol,1-O-{2-hydroxy-3-[methyl(oleoyl)amino]propyl}-D-glucitol,CCCCCCCC\\C=C/CCCCCCCC(=O)N(C)CC(O)COC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(O)COC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C28H55NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(34)29(2)19-23(31)21-37-22-25(33)28(36)27(35)24(32)20-30/h10-11,23-25,27-28,30-33,35-36H,3-9,12-22H2,1-2H3",C28H55NO8,,,,,,VJHYYBIDDWKXPB-HTTMTSDPSA-N,,,,,,,,,,,
100.095.665,305-279-5,94386-56-8,"1,2,3,4,5,6,7,8-octahydro-1,6-dimethylnaphthalene-2-carbonitrile","1,6-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile",CC1CCC2=C(CCC(C#N)C2C)C1,CC1CCC2=C(CCC(C#N)C2C)C1,"InChI=1/C13H19N/c1-9-3-6-13-10(2)12(8-14)5-4-11(13)7-9/h9-10,12H,3-7H2,1-2H3",C13H19N,,,,,,BEXBQPUACQKYNA-UHFFFAOYSA-N,,,,,,,,,,,
100.097.881,307-720-7,97721-74-9,"Disodium 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate","disodium 5-[(4-{[4-({4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]phenyl}amino)-6-anilino-1,3,5-triazin-2-yl]amino}phenyl)diazenyl]-2-hydroxybenzoate",[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc1ccc(cc1)Nc4nc(nc(Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)n4)Nc5ccccc5)c8c(c6N)C(=O)c7ccccc7C8=O,[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc1ccc(cc1)Nc4nc(nc(Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)n4)Nc5ccccc5)c8c(c6N)C(=O)c7ccccc7C8=O,"InChI=1/C42H30N10O8S.2Na/c43-36-33(61(58,59)60)21-31(34-35(36)38(55)29-9-5-4-8-28(29)37(34)54)44-23-10-12-24(13-11-23)46-41-48-40(45-22-6-2-1-3-7-22)49-42(50-41)47-25-14-16-26(17-15-25)51-52-27-18-19-32(53)30(20-27)39(56)57;;/h1-21,44,53H,43H2,(H,56,57)(H,58,59,60)(H3,45,46,47,48,49,50);;/q;2*+1/p-2",C42H30N10O8S.2Na,,,,,,IDFXWIIBQGPPRG-UHFFFAOYSA-L,,,,,,,,,,,
100.096.146,305-806-9,95044-44-3,Decahydro-2-isopropenyl-8-methylazulene-4-methanol,(2-isopropenyl-8-methyldecahydroazulen-4-yl)methanol,CC1CCCC(CO)C2CC(CC12)C(=C)C,CC1CCCC(CO)C2CC(CC12)C(=C)C,"InChI=1/C15H26O/c1-10(2)13-7-14-11(3)5-4-6-12(9-16)15(14)8-13/h11-16H,1,4-9H2,2-3H3",C15H26O,,,,,,FESUBAPWUIYMFG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.152,305-813-7,95046-25-6,"1-(2-hydroxyethyl)-3-phenyl-2-thioxo-5-[[3-[3-(sulphooxy)propyl]-3H-benzoxazol-2-ylidene]ethylidene]imidazolidin-4-one, monosodium salt",-,[Na+].OS(=O)(=O)OCCCN3c4ccccc4OC3=CC=C2C(=O)N(c1ccccc1)C(=S)N2CCO,[Na+].OS(=O)(=O)OCCCN3c4ccccc4OC3=CC=C2C(=O)N(c1ccccc1)C(=S)N2CCO,"InChI=1/C23H23N3O7S2.Na/c27-15-14-25-19(22(28)26(23(25)34)17-7-2-1-3-8-17)11-12-21-24(13-6-16-32-35(29,30)31)18-9-4-5-10-20(18)33-21;/h1-5,7-12,27H,6,13-16H2,(H,29,30,31);/q;+1",C23H23N3O7S2.Na,,,,,,MTCWCQWVPAJEJF-UHFFFAOYSA-N,,,,,,,,,,,
100.096.156,305-817-9,95046-30-3,"N-[3-methyl-5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide","N-[5-(benzylsulfanyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide",CN2/N=C(/SCc1ccccc1)SC2=NC(=O)C,CN2/N=C(/SCc1ccccc1)SC2=NC(=O)C,"InChI=1/C12H13N3OS2/c1-9(16)13-11-15(2)14-12(18-11)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3",C12H13N3OS2,,,,,,IPHBGOSQKZPELD-UHFFFAOYSA-N,,,,,,,,,,,
100.097.940,307-785-1,97752-23-3,"4a,5,6,7,8,8a-hexahydro-3,8-dimethyl-5-(1-methylethyl)naphthalen-2(1H)-one","5-isopropyl-3,8-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one",CC(C)C1CCC(C)C2CC(=O)C(=CC12)C,CC(C)C1CCC(C)C2CC(=O)C(=CC12)C,"InChI=1/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9-10,12-14H,5-6,8H2,1-4H3",C15H24O,,,,,,UYEHLXVLWLCOHY-UHFFFAOYSA-N,,,,,,,,,,,
100.097.943,307-788-8,97752-26-6,"(Z)-3-[2-hydroxy-3-(9-octadecenyloxy)propoxy]propane-1,2-diol","3-[2-hydroxy-3-(octadec-9-en-1-yloxy)propoxy]propane-1,2-diol",CCCCCCCC\\C=C/CCCCCCCCOCC(O)COCC(O)CO,CCCCCCCC\C=C/CCCCCCCCOCC(O)COCC(O)CO,"InChI=1/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-21-24(27)22-29-20-23(26)19-25/h9-10,23-27H,2-8,11-22H2,1H3",C24H48O5,,,,,,XLJMZTKRCDHLFD-KTKRTIGZSA-N,,,,,,,,,,,
100.097.946,307-791-4,97752-29-9,2-methylbutyl (E)-(+)-2-methylisocrotonate,2-methylbutyl 2-methylbut-2-enoate,CCC(C)COC(=O)\\C(=C\\C)\\C,CCC(C)COC(=O)\C(=C\C)\C,"InChI=1/C10H18O2/c1-5-8(3)7-12-10(11)9(4)6-2/h6,8H,5,7H2,1-4H3",C10H18O2,,,,,,DEJJNOHKWLTTKE-RMKNXTFCSA-N,,,,,,,,,,,
100.097.950,307-796-1,97752-33-5,"Bis[6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium] sulphate","bis[6-chloro-4-({4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl)-1,3-dimethyl-2,3-dihydro-1H-benzotriazol-1-ium] sulfate",[O-]S([O-])(=O)=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23,[O-]S([O-])(=O)=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23,"InChI=1/2C19H22ClN7.H2O4S/c2*1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;1-5(2,3)4/h2*6-9,12-13,24H,4-5,11H2,1-3H3;(H2,1,2,3,4)",C19H21ClN7.1/2O4S,,,,,,UHVHFAXRBBOZIP-UHFFFAOYSA-N,,,,,,,,,,,
100.099.047,309-011-8,99688-45-6,"Trichloro-12,24-dihydro-5H-naphtho[2,3-h]naphth[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone","1,2,3-trichloro-12,24-dihydro-5H-naphtho[2,3-h]naphtho[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone",Clc1cc2C(=O)c3ccc4c(Nc5ccc6c7cc8c(cc7C(=O)c9ccc4c5c69)[nH]c%10c%11C(=O)c%12ccccc%12C(=O)c%11ccc8%10)c3C(=O)c2c(Cl)c1Cl,Clc1cc2C(=O)c3ccc4c(Nc5ccc6c7cc8c(cc7C(=O)c9ccc4c5c69)[nH]c%10c%11C(=O)c%12ccccc%12C(=O)c%11ccc8%10)c3C(=O)c2c(Cl)c1Cl,"InChI=1/C45H17Cl3N2O5/c46-29-14-28-34(38(48)37(29)47)45(55)36-24(43(28)53)9-6-18-16-5-8-22-32-17(11-12-30(33(16)32)49-39(18)36)25-13-26-19-7-10-23-35(40(19)50-31(26)15-27(25)42(22)52)44(54)21-4-2-1-3-20(21)41(23)51/h1-15,49-50H",C45H17Cl3N2O5,,,,,,XDSNHOWNDZUMQB-UHFFFAOYSA-N,,,,,,,,,,,
100.099.061,309-030-1,99769-53-6,N-hex-5-enyldodecanediamide,N-hex-5-en-1-yldodecanediamide,NC(=O)CCCCCCCCCCC(=O)NCCCCC=C,NC(=O)CCCCCCCCCCC(=O)NCCCCC=C,"InChI=1/C18H34N2O2/c1-2-3-4-13-16-20-18(22)15-12-10-8-6-5-7-9-11-14-17(19)21/h2H,1,3-16H2,(H2,19,21)(H,20,22)",C18H34N2O2,,,,,,KCJCDNRXZVJGMM-UHFFFAOYSA-N,,,,,,,,,,,
100.099.063,309-032-2,99769-55-8,4-(4-methylenecyclohexylmethoxycarbonyl)benzoic acid,4-{[(4-methylenecyclohexyl)methoxy]carbonyl}benzoic acid,OC(=O)c1ccc(cc1)C(=O)OCC2CCC(=C)CC2,OC(=O)c1ccc(cc1)C(=O)OCC2CCC(=C)CC2,"InChI=1/C16H18O4/c1-11-2-4-12(5-3-11)10-20-16(19)14-8-6-13(7-9-14)15(17)18/h6-9,12H,1-5,10H2,(H,17,18)",C16H18O4,,,,,,FJWRKFZPEUYKET-UHFFFAOYSA-N,,,,,,,,,,,
100.099.065,309-034-3,99769-57-0,N-hex-5-enyladipamide,N-hex-5-en-1-ylhexanediamide,NC(=O)CCCCC(=O)NCCCCC=C,NC(=O)CCCCC(=O)NCCCCC=C,"InChI=1/C12H22N2O2/c1-2-3-4-7-10-14-12(16)9-6-5-8-11(13)15/h2H,1,3-10H2,(H2,13,15)(H,14,16)",C12H22N2O2,,,,,,DIFFWVVIHKVXDB-UHFFFAOYSA-N,,,,,,,,,,,
100.081.331,289-495-4,89369-45-9,Ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate,ethyl 2-({2-[(methylsulfonyl)amino]benzoyl}amino)benzoate,CCOC(=O)c1ccccc1NC(=O)c2ccccc2NS(=O)(=O)C,CCOC(=O)c1ccccc1NC(=O)c2ccccc2NS(=O)(=O)C,"InChI=1/C17H18N2O5S/c1-3-24-17(21)13-9-5-6-10-14(13)18-16(20)12-8-4-7-11-15(12)19-25(2,22)23/h4-11,19H,3H2,1-2H3,(H,18,20)",C17H18N2O5S,,,,,,MHDUPYHBAPIONE-UHFFFAOYSA-N,,,,,,,,,,,
100.081.333,289-498-0,89403-85-0,"6-nitro-1,2,3-benzotriazin-4(1H)-one 2-oxide","6-nitro-1,2,3-benzotriazin-4(1H)-one 2-oxide",[O-][N+](=O)c1ccc2N[N+](=NC(=O)c2c1)[O-],[O-][N+](=O)c1ccc2N[N+](=NC(=O)c2c1)[O-],"InChI=1/C7H4N4O4/c12-7-5-3-4(10(13)14)1-2-6(5)8-11(15)9-7/h1-3H,(H,8,9,12)",C7H4N4O4,,,,,,BKYFXFGONFMJNN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.334,289-499-6,89403-96-3,"1,7-dihydro-7-methyl-4H-pyrazolo[3,4-d]-1,2,3-triazin-4-one 2-oxide","7-methyl-1,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one 2-oxide",Cn1ncc2C(=O)N=[N+]([O-])Nc12,Cn1ncc2C(=O)N=[N+]([O-])Nc12,"InChI=1/C5H5N5O2/c1-9-4-3(2-6-9)5(11)8-10(12)7-4/h2H,1H3,(H,7,8,11)",C5H5N5O2,,,,,,SLSDPISSGJAADR-UHFFFAOYSA-N,,,,,,,,,,,
100.081.339,289-505-7,89482-27-9,"N-(1,4,5,6-tetrahydro-4,6-dithioxo-1,3,5-triazin-2-yl)glycine","N-(4,6-dithioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)glycine",OC(=O)CNC1=NC(=S)NC(=S)N1,OC(=O)CNC1=NC(=S)NC(=S)N1,"InChI=1/C5H6N4O2S2/c10-2(11)1-6-3-7-4(12)9-5(13)8-3/h1H2,(H,10,11)(H3,6,7,8,9,12,13)",C5H6N4O2S2,,,,,,JCMKAZJKWVLFMY-UHFFFAOYSA-N,,,,,,,,,,,
100.081.344,289-510-4,89630-68-2,"3,3-dichloro-5-methyl-5-phenyldihydrofuran-2(3H)-one","3,3-dichloro-5-methyl-5-phenyldihydrofuran-2(3H)-one",CC1(CC(Cl)(Cl)C(=O)O1)c2ccccc2,CC1(CC(Cl)(Cl)C(=O)O1)c2ccccc2,"InChI=1/C11H10Cl2O2/c1-10(8-5-3-2-4-6-8)7-11(12,13)9(14)15-10/h2-6H,7H2,1H3",C11H10Cl2O2,,,,,,XKQSNNZQYQBCBF-UHFFFAOYSA-N,,,,,,,,,,,
100.081.353,289-520-9,89766-09-6,1-bromoethyl ethyl carbonate,1-bromoethyl ethyl carbonate,CCOC(=O)OC(C)Br,CCOC(=O)OC(C)Br,"InChI=1/C5H9BrO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3",C5H9BrO3,,,,,,RKRZYVQFKUXDEZ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.356,289-524-0,89783-74-4,"9,10-dihydroxy-5-methoxy-2H-pyrano[2,3,4-kl]xanthen-2-one","9,10-dihydroxy-5-methoxy-2H-pyrano[2,3,4-kl]xanthen-2-one",COc1cc2OC(=O)C=C3c4cc(O)c(O)cc4Oc(c1)c23,COc1cc2OC(=O)C=C3c4cc(O)c(O)cc4Oc(c1)c23,"InChI=1/C16H10O6/c1-20-7-2-13-16-9(5-15(19)22-14(16)3-7)8-4-10(17)11(18)6-12(8)21-13/h2-6,17-18H,1H3",C16H10O6,,,,,,KOCNWAKMXCTCIO-UHFFFAOYSA-N,,,,,,,,,,,
100.079.580,287-569-0,85536-82-9,"Ethyl ß-ethylidene-6-methoxy-a,a-dimethylnaphthalene-2-propionate","ethyl 3-(6-methoxy-2-naphthyl)-2,2-dimethylpent-3-enoate",CCOC(=O)C(C)(C)C(=CC)c1ccc2cc(ccc2c1)OC,CCOC(=O)C(C)(C)C(=CC)c1ccc2cc(ccc2c1)OC,"InChI=1/C20H24O3/c1-6-18(20(3,4)19(21)23-7-2)16-9-8-15-13-17(22-5)11-10-14(15)12-16/h6,8-13H,7H2,1-5H3",C20H24O3,,,,,,OUGQIXURPUYNAB-UHFFFAOYSA-N,,,,,,,,,,,
100.079.582,287-571-1,85536-84-1,Ethyl 2-hydroxy-3-(2-methoxyphenoxy)propyl carbonate,ethyl 2-hydroxy-3-(2-methoxyphenoxy)propyl carbonate,CCOC(=O)OCC(O)COc1ccccc1OC,CCOC(=O)OCC(O)COc1ccccc1OC,"InChI=1/C13H18O6/c1-3-17-13(15)19-9-10(14)8-18-12-7-5-4-6-11(12)16-2/h4-7,10,14H,3,8-9H2,1-2H3",C13H18O6,,,,,,ZKZSUGZIEYWXQP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.599,287-590-5,85551-26-4,"(S)-N,N-dibutyl-5-oxopyrrolidine-2-carboxamide","N,N-dibutyl-5-oxo-L-prolinamide",CCCCN(CCCC)C(=O)[C@@H]1CCC(=O)N1,CCCCN(CCCC)C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C13H24N2O2/c1-3-5-9-15(10-6-4-2)13(17)11-7-8-12(16)14-11/h11H,3-10H2,1-2H3,(H,14,16)",C13H24N2O2,,,,,,NDGMGZDZOXTYQZ-NSHDSACASA-N,,,,,,,,,,,
100.079.605,287-596-8,85554-64-9,Hexyl (E)-oct-2-enoate,hexyl oct-2-enoate,CCCCCCOC(=O)\\C=C\\CCCCC,CCCCCCOC(=O)\C=C\CCCCC,"InChI=1/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h10,12H,3-9,11,13H2,1-2H3",C14H26O2,,,,,,JTOLHKRIXOJYBA-ZRDIBKRKSA-N,,,,,,,,,,,
100.079.616,287-608-1,85554-75-2,4-(diethoxymethylsilyl)butyric acid,4-[diethoxy(methyl)silyl]butanoic acid,CCO[Si](C)(CCCC(=O)O)OCC,CCO[Si](C)(CCCC(=O)O)OCC,"InChI=1/C9H20O4Si/c1-4-12-14(3,13-5-2)8-6-7-9(10)11/h4-8H2,1-3H3,(H,10,11)",C9H20O4Si,,,,,,HBBFGNODJADALS-UHFFFAOYSA-N,,,,,,,,,,,
100.079.617,287-609-7,85554-76-3,"2,4-dichloro-5-isopropoxyanilinium chloride","2,4-dichloro-5-isopropoxyanilinium chloride",[Cl-].CC(C)Oc1cc([NH3+])c(Cl)cc1Cl,[Cl-].CC(C)Oc1cc([NH3+])c(Cl)cc1Cl,"InChI=1/C9H11Cl2NO.ClH/c1-5(2)13-9-4-8(12)6(10)3-7(9)11;/h3-5H,12H2,1-2H3;1H",C9H11Cl2NO.ClH,,,,,,JKPVETCTFQLDDU-UHFFFAOYSA-N,,,,,,,,,,,
100.079.618,287-610-2,85554-77-4,"N,N-dicyclohexylbenzothiazole-2-sulphonamide","N,N-dicyclohexyl-1,3-benzothiazole-2-sulfonamide",O=S(=O)(N(C1CCCCC1)C2CCCCC2)c3nc4ccccc4s3,O=S(=O)(N(C1CCCCC1)C2CCCCC2)c3nc4ccccc4s3,"InChI=1/C19H26N2O2S2/c22-25(23,19-20-17-13-7-8-14-18(17)24-19)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2",C19H26N2O2S2,,,,,,CMKDPNYJYNDKQH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.617,303-025-8,94139-10-3,N-[2-[(2-hydroxyethyl)amino]ethyl]palmitamide monoacetate,N-{2-[(2-hydroxyethyl)amino]ethyl}hexadecanamide acetate (salt),CCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O,CCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O,"InChI=1/C20H42N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-16-21-18-19-23;1-2(3)4/h21,23H,2-19H2,1H3,(H,22,24);1H3,(H,3,4)",C20H42N2O2.C2H4O2,,,,,,DEJKSPFUPQFVQK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.618,303-026-3,94139-11-4,"N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12-dienamide monoacetate","N-{2-[(2-hydroxyethyl)amino]ethyl}octadeca-9,12-dienamide acetate (salt)",O=C(NCCNCCO)CCCCCCCC=CCC=CCCCCC.CC(O)=O,O=C(NCCNCCO)CCCCCCCC=CCC=CCCCCC.CC(O)=O,"InChI=1/C22H42N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h6-7,9-10,23,25H,2-5,8,11-21H2,1H3,(H,24,26);1H3,(H,3,4)",C22H42N2O2.C2H4O2,,,,,,WHLKVPKEURNMPT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.878,303-312-8,94160-29-9,"2-[2,3-bis(2-hydroxypropoxy)propoxy]isopropyl 2-[2-(2-hydroxypropoxy)-3-[2-[(1-oxoallyl)oxy]propoxy]propoxy]isopropyl adipate","2-{3-[2-(acryloyloxy)propoxy]-2-(2-hydroxypropoxy)propoxy}-1-methylethyl 2-[2,3-bis(2-hydroxypropoxy)propoxy]-1-methylethyl adipate",CC(O)COCC(COCC(C)OC(=O)CCCCC(=O)OC(C)COCC(COCC(C)OC(=O)C=C)OCC(C)O)OCC(C)O,CC(O)COCC(COCC(C)OC(=O)CCCCC(=O)OC(C)COCC(COCC(C)OC(=O)C=C)OCC(C)O)OCC(C)O,"InChI=1/C33H60O15/c1-8-31(37)46-26(5)16-41-21-30(45-15-25(4)36)22-43-18-28(7)48-33(39)12-10-9-11-32(38)47-27(6)17-42-20-29(44-14-24(3)35)19-40-13-23(2)34/h8,23-30,34-36H,1,9-22H2,2-7H3",C33H60O15,,,,,,WSUPYPPXRYUABR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.879,303-313-3,94160-30-2,Bis[2-[2-(2-hydroxypropoxy)-3-[2-[(1-oxoallyl)oxy]propoxy]propoxy]isopropyl] adipate,bis(2-{3-[2-(acryloyloxy)propoxy]-2-(2-hydroxypropoxy)propoxy}-1-methylethyl) adipate,CC(O)COC(COCC(C)OC(=O)CCCCC(=O)OC(C)COCC(COCC(C)OC(=O)C=C)OCC(C)O)COCC(C)OC(=O)C=C,CC(O)COC(COCC(C)OC(=O)CCCCC(=O)OC(C)COCC(COCC(C)OC(=O)C=C)OCC(C)O)COCC(C)OC(=O)C=C,"InChI=1/C36H62O16/c1-9-33(39)49-27(5)17-43-21-31(47-15-25(3)37)23-45-19-29(7)51-35(41)13-11-12-14-36(42)52-30(8)20-46-24-32(48-16-26(4)38)22-44-18-28(6)50-34(40)10-2/h9-10,25-32,37-38H,1-2,11-24H2,3-8H3",C36H62O16,,,,,,RGMLHWJRULZURJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.882,303-317-5,94160-33-5,"8-(2-hydroxypropoxy)-1,4,12-trimethyl-14-oxo-3,6,10,13-tetraoxahexadec-15-en-1-yl acrylate","5-(2-hydroxypropoxy)-1,9,12-trimethyl-14-oxo-3,7,10,13-tetraoxahexadec-15-en-1-yl acrylate",CC(O)COC(COCC(C)OCC(C)OC(=O)C=C)COCC(C)OC(=O)C=C,CC(O)COC(COCC(C)OCC(C)OC(=O)C=C)COCC(C)OC(=O)C=C,"InChI=1/C21H36O9/c1-7-20(23)29-17(5)11-26-14-19(28-9-15(3)22)13-25-10-16(4)27-12-18(6)30-21(24)8-2/h7-8,15-19,22H,1-2,9-14H2,3-6H3",C21H36O9,,,,,,PGVXYNCLNDQXPL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.886,303-321-7,94160-37-9,"1,5-diamino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]-4,8-dihydroxyanthraquinone","1,5-diamino-2-(4-{[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy}phenyl)-4,8-dihydroxy-9,10-anthraquinone",CCCCN(CCCC)c1nc(F)nc(Oc2ccc(cc2)c3cc(O)c4C(=O)c5c(N)ccc(O)c5C(=O)c4c3N)n1,CCCCN(CCCC)c1nc(F)nc(Oc2ccc(cc2)c3cc(O)c4C(=O)c5c(N)ccc(O)c5C(=O)c4c3N)n1,"InChI=1/C31H31FN6O5/c1-3-5-13-38(14-6-4-2)30-35-29(32)36-31(37-30)43-17-9-7-16(8-10-17)18-15-21(40)24-25(26(18)34)28(42)23-20(39)12-11-19(33)22(23)27(24)41/h7-12,15,39-40H,3-6,13-14,33-34H2,1-2H3",C31H31FN6O5,,,,,,QHZWNQUCVXXIES-UHFFFAOYSA-N,,,,,,,,,,,
100.093.887,303-322-2,94160-38-0,"2-[[4-[(2-cyanoethyl)[2-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]ethyl]amino]phenyl]azo]-5-(phenylazo)thiophene-3-carbonitrile","2-({4-[(2-cyanoethyl)(2-{[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy}ethyl)amino]phenyl}diazenyl)-5-(phenyldiazenyl)thiophene-3-carbonitrile",CCCCN(CCCC)c1nc(F)nc(n1)OCCN(CCC#N)c2ccc(cc2)N=Nc4sc(N=Nc3ccccc3)cc4C#N,CCCCN(CCCC)c1nc(F)nc(n1)OCCN(CCC#N)c2ccc(cc2)N=Nc4sc(N=Nc3ccccc3)cc4C#N,"InChI=1/C33H36FN11OS/c1-3-5-18-45(19-6-4-2)32-37-31(34)38-33(39-32)46-22-21-44(20-10-17-35)28-15-13-27(14-16-28)41-43-30-25(24-36)23-29(47-30)42-40-26-11-8-7-9-12-26/h7-9,11-16,23H,3-6,10,18-22H2,1-2H3",C33H36FN11OS,,,,,,VJGMBVBSKSYWOW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.889,303-324-3,94160-40-4,"Disodium 2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxoethylene]azo]]bis[5-acetamidobenzoate]","disodium 2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[imino(3-hydroxy-1-oxobut-2-ene-2,1-diyl)diazene-2,1-diyl]}bis(5-acetamidobenzoate)",[Na+].[Na+].CC(=O)Nc4ccc(N=NC(=O)C(Nc1ccc(cc1C)c3ccc(NC(=C(C)O)C(=O)N=Nc2ccc(NC(C)=O)cc2C([O-])=O)c(C)c3)=C(C)O)c(c4)C([O-])=O,[Na+].[Na+].CC(=O)Nc4ccc(N=NC(=O)C(Nc1ccc(cc1C)c3ccc(NC(=C(C)O)C(=O)N=Nc2ccc(NC(C)=O)cc2C([O-])=O)c(C)c3)=C(C)O)c(c4)C([O-])=O,"InChI=1/C40H38N8O10.2Na/c1-19-15-25(7-11-31(19)43-35(21(3)49)37(53)47-45-33-13-9-27(41-23(5)51)17-29(33)39(55)56)26-8-12-32(20(2)16-26)44-36(22(4)50)38(54)48-46-34-14-10-28(42-24(6)52)18-30(34)40(57)58;;/h7-18,43-44,49-50H,1-6H3,(H,41,51)(H,42,52)(H,55,56)(H,57,58);;/q;2*+1/p-2",C40H38N8O10.2Na,,,,,,CUDCWCHGCZJVJQ-UHFFFAOYSA-L,,,,,,,,,,,
100.093.893,303-329-0,94160-44-8,4-(methyloctadecylamino)-3-nitrobenzoic acid,4-[methyl(octadecyl)amino]-3-nitrobenzoic acid,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1[N+](=O)[O-])C(=O)O,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1[N+](=O)[O-])C(=O)O,"InChI=1/C26H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)24-20-19-23(26(29)30)22-25(24)28(31)32/h19-20,22H,3-18,21H2,1-2H3,(H,29,30)",C26H44N2O4,,,,,,CITOGJZWCOOZGD-UHFFFAOYSA-N,,,,,,,,,,,
100.095.666,305-280-0,94386-57-9,"1,2,3,4,5,6,7,8-octahydro-4,7-dimethylnaphthalene-2-carbonitrile","4,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile",CC1CCC2=C(C1)CC(CC2C)C#N,CC1CCC2=C(C1)CC(CC2C)C#N,"InChI=1/C13H19N/c1-9-3-4-13-10(2)6-11(8-14)7-12(13)5-9/h9-11H,3-7H2,1-2H3",C13H19N,,,,,,YEVCTGOJOVCQBE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.498,303-995-2,94232-67-4,"2-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]butyric acid","2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid",CCC(C(=O)O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O,CCC(C(=O)O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O,"InChI=1/C18H15NO4/c1-2-13(18(22)23)11-7-9-12(10-8-11)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10,13H,2H2,1H3,(H,22,23)",C18H15NO4,,,,,,ZQKLRJAOOUMVSA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.628,303-037-3,94139-22-7,Sucrose hexalaurate,"1,3,4-tri-O-dodecanoyl-beta-D-fructofuranosyl 2,3,4-tri-O-dodecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCC,"InChI=1/C84H154O17/c1-7-13-19-25-31-37-43-49-55-61-72(87)93-69-84(82(99-77(92)66-60-54-48-42-36-30-24-18-12-6)79(71(68-86)100-84)96-74(89)63-57-51-45-39-33-27-21-15-9-3)101-83-81(98-76(91)65-59-53-47-41-35-29-23-17-11-5)80(97-75(90)64-58-52-46-40-34-28-22-16-10-4)78(70(67-85)94-83)95-73(88)62-56-50-44-38-32-26-20-14-8-2/h70-71,78-83,85-86H,7-69H2,1-6H3",C84H154O17,,,,,,IPIILPJNEZLXFM-WGURRDFWSA-N,,,,,,,,,,,
100.093.633,303-043-6,94157-76-3,"N,N,N-trimethyl-4-[[4-[(4-nitrophenyl)azo]phenyl]amino]anilinium methyl sulphate","N,N,N-trimethyl-4-({4-[(4-nitrophenyl)diazenyl]phenyl}amino)anilinium methyl sulfate",[O-]S(=O)(=O)OC.C[N+](C)(C)c1ccc(cc1)Nc3ccc(N=Nc2ccc(cc2)[N+]([O-])=O)cc3,[O-]S(=O)(=O)OC.C[N+](C)(C)c1ccc(cc1)Nc3ccc(N=Nc2ccc(cc2)[N+]([O-])=O)cc3,"InChI=1/C21H22N5O2.CH4O4S/c1-26(2,3)21-14-10-17(11-15-21)22-16-4-6-18(7-5-16)23-24-19-8-12-20(13-9-19)25(27)28;1-5-6(2,3)4/h4-15,22H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",C21H22N5O2.CH3O4S,,,,,,ICFWAEAVVOIYLC-UHFFFAOYSA-M,,,,,,,,,,,
100.099.740,309-786-2,101012-86-6,"Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt, basic",-,[Zn+2].CC(C)(C)c1ccc(cc1)C(=O)[O-],[Zn+2].CC(C)(C)c1ccc(cc1)C(=O)[O-],"InChI=1/C11H14O2.Zn/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+2/p-1",-,,,,,,ATMZLKKMLGXYJH-UHFFFAOYSA-M,,,,,,,,,,,
100.093.653,303-065-6,94157-96-7,"3,5,6-trimethoxybenzo[b]thiophene-3-carboxylic acid","3,5,6-trimethoxy-2,3-dihydro-1-benzothiophene-3-carboxylic acid",COc1cc2SCC(OC)(C(=O)O)c2cc1OC,COc1cc2SCC(OC)(C(=O)O)c2cc1OC,"InChI=1/C12H14O5S/c1-15-8-4-7-10(5-9(8)16-2)18-6-12(7,17-3)11(13)14/h4-5H,6H2,1-3H3,(H,13,14)",C12H12O5S,,,,,,PRWPUUZYDQEFBG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.655,303-067-7,94157-98-9,Dibutyl(2-ethoxy-2-oxoethyl)phenethylammonium chloride,N-butyl-N-(2-ethoxy-2-oxoethyl)-N-(2-phenylethyl)butan-1-aminium chloride,[Cl-].CCCC[N+](CCCC)(CCc1ccccc1)CC(=O)OCC,[Cl-].CCCC[N+](CCCC)(CCc1ccccc1)CC(=O)OCC,"InChI=1/C20H34NO2.ClH/c1-4-7-15-21(16-8-5-2,18-20(22)23-6-3)17-14-19-12-10-9-11-13-19;/h9-13H,4-8,14-18H2,1-3H3;1H/q+1;/p-1",C20H34NO2.Cl,,,,,,TYUGRSBROZQKDG-UHFFFAOYSA-M,,,,,,,,,,,
100.093.660,303-072-4,94158-03-9,"4-chloro-3-[4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-chloro-3-{4-[(2,5-dichlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",OS(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(Cl)ccc2Cl)C3=O,OS(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(Cl)ccc2Cl)C3=O,"InChI=1/C16H11Cl3N4O4S/c1-8-15(21-20-13-6-9(17)2-4-11(13)18)16(24)23(22-8)14-7-10(28(25,26)27)3-5-12(14)19/h2-7,15H,1H3,(H,25,26,27)",C16H11Cl3N4O4S,,,,,,INVNWHLQXQVRMB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.670,303-083-4,94158-13-1,"2,2'-[(4-amino-3-nitrophenyl)imino]bisethanol hydrochloride","2,2'-[(4-amino-3-nitrophenyl)imino]diethanol hydrochloride",Cl.Nc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,Cl.Nc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,"InChI=1/C10H15N3O4.ClH/c11-9-2-1-8(7-10(9)13(16)17)12(3-5-14)4-6-15;/h1-2,7,14-15H,3-6,11H2;1H",C10H15N3O4.ClH,,,,,,ASAQRGCLIPUSEK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.676,303-090-2,94158-19-7,N-butyl-3-(cyanoacetyl)-N-phenylbenzenesulphonamide,N-butyl-3-(cyanoacetyl)-N-phenylbenzenesulfonamide,CCCCN(c1ccccc1)S(=O)(=O)c2cccc(c2)C(=O)CC#N,CCCCN(c1ccccc1)S(=O)(=O)c2cccc(c2)C(=O)CC#N,"InChI=1/C19H20N2O3S/c1-2-3-14-21(17-9-5-4-6-10-17)25(23,24)18-11-7-8-16(15-18)19(22)12-13-20/h4-11,15H,2-3,12,14H2,1H3",C19H20N2O3S,,,,,,MAPSJZHIZMKNOG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.678,303-092-3,94158-21-1,Isobutyl cis-3-octyloxiran-2-octanoate,isobutyl 8-(3-octyloxiran-2-yl)octanoate,CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OCC(C)C,CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OCC(C)C,"InChI=1/C22H42O3/c1-4-5-6-7-9-12-15-20-21(25-20)16-13-10-8-11-14-17-22(23)24-18-19(2)3/h19-21H,4-18H2,1-3H3",C22H42O3,,,,,,RLZMLCOLHSMIMU-LEWJYISDSA-N,,,,,,,,,,,
100.099.119,309-094-0,99948-85-3,(2-hydroxyethyl)ammonium 2-ethylhexyl sulphate,2-hydroxyethanaminium 2-ethylhexyl sulfate,CCCCC(CC)COS(=O)(=O)[O-].[NH3+]CCO,CCCCC(CC)COS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C8H18O4S.C2H7NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H,9,10,11);4H,1-3H2",C8H18O4S.C2H7NO,,,,,,QOYNIGGAEJZVFK-UHFFFAOYSA-N,,,,,,,,,,,
100.099.120,309-095-6,99948-86-4,2-[(dihydroxymethylsilyl)oxy]propionic acid,2-{[(dihydroxymethyl)silyl]oxy}propanoic acid,CC(O[SiH2]C(O)O)C(=O)O,CC(O[SiH2]C(O)O)C(=O)O,"InChI=1/C4H10O5Si/c1-2(3(5)6)9-10-4(7)8/h2,4,7-8H,10H2,1H3,(H,5,6)",C4H10O5Si,,,,,,PEPZVLJVRUMZBI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.005,305-652-2,94944-74-8,"m-[4-(2-cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid","3-{4-(2-cyanoethyl)-5-oxo-3-[4-(palmitoylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C2=NN(C(=O)C2CCC#N)c3cccc(c3)S(=O)(=O)O,CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C2=NN(C(=O)C2CCC#N)c3cccc(c3)S(=O)(=O)O,"InChI=1/C34H46N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32(39)36-28-23-21-27(22-24-28)33-31(19-16-25-35)34(40)38(37-33)29-17-15-18-30(26-29)44(41,42)43/h15,17-18,21-24,26,31H,2-14,16,19-20H2,1H3,(H,36,39)(H,41,42,43)",C34H46N4O5S,,,,,,ADSVMOOPQPIGEI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.045,305-696-2,94970-42-0,"2,3-bis(sulphooxy)propyl oleate","2,3-bis(sulfooxy)propyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(COS(=O)(=O)O)OS(=O)(=O)O,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COS(=O)(=O)O)OS(=O)(=O)O,"InChI=1/C21H40O10S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)29-18-20(31-33(26,27)28)19-30-32(23,24)25/h9-10,20H,2-8,11-19H2,1H3,(H,23,24,25)(H,26,27,28)",C21H40O10S2,,,,,,NPRMOGCTZRQUFS-KTKRTIGZSA-N,,,,,,,,,,,
100.096.058,305-710-7,95008-84-7,"9,10-dihydro-1,5-dihydroxy-9,10-dioxo-4,8-bis[(sulphomethyl)amino]anthracene-2,6-disulphonic acid","1,5-dihydroxy-9,10-dioxo-4,8-bis[(sulfomethyl)amino]-9,10-dihydroanthracene-2,6-disulfonic acid",Oc1c2C(=O)c3c(NCS(=O)(=O)O)cc(c(O)c3C(=O)c2c(NCS(=O)(=O)O)cc1S(=O)(=O)O)S(=O)(=O)O,Oc1c2C(=O)c3c(NCS(=O)(=O)O)cc(c(O)c3C(=O)c2c(NCS(=O)(=O)O)cc1S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C16H14N2O16S4/c19-13-7(37(29,30)31)1-5(17-3-35(23,24)25)9-11(13)16(22)10-6(18-4-36(26,27)28)2-8(38(32,33)34)14(20)12(10)15(9)21/h1-2,17-20H,3-4H2,(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)",C16H14N2O16S4,,,,,,OJLSSPVEXKDPHS-UHFFFAOYSA-N,,,,,,,,,,,
100.096.070,305-723-8,95008-96-1,"Decahydro-2-isopropenyl-4,7-methanoazulene-8-methanol","(2-isopropenyldecahydro-4,7-methanoazulen-8-yl)methanol",CC(=C)C1CC2C3CCC(C3)C(CO)C2C1,CC(=C)C1CC2C3CCC(C3)C(CO)C2C1,"InChI=1/C15H24O/c1-9(2)12-6-13-10-3-4-11(5-10)15(8-16)14(13)7-12/h10-16H,1,3-8H2,2H3",C15H24O,,,,,,NNUOJGRBGBIPAE-UHFFFAOYSA-N,,,,,,,,,,,
100.096.071,305-724-3,95008-97-2,Barium bis[1-(hydroxymethyl)-5-oxo-DL-prolinate],barium bis[1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate],[Ba+2].OCN1[C@@H](CCC1=O)C(=O)[O-].OCN2[C@@H](CCC2=O)C(=O)[O-],[Ba+2].OCN1[C@@H](CCC1=O)C(=O)[O-].OCN2[C@@H](CCC2=O)C(=O)[O-],"InChI=1/2C6H9NO4.Ba/c2*8-3-7-4(6(10)11)1-2-5(7)9;/h2*4,8H,1-3H2,(H,10,11);/q;;+2/p-2",C6H9NO4.1/2Ba,,,,,,GJMYXPBQMBBXGA-SCGRZTRASA-L,,,,,,,,,,,
100.099.589,309-619-3,100432-46-0,"Platinum(4+) 2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiolate","platinum(4+) tetrakis(2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiolate)",[Pt+4].CC1(C)C2CCC(C)([S-])C1C2.CC3(C)C4CCC(C)([S-])C3C4.CC5(C)C6CCC(C)([S-])C5C6.CC7(C)C8CCC(C)([S-])C7C8,[Pt+4].CC1(C)C2CCC(C)([S-])C1C2.CC3(C)C4CCC(C)([S-])C3C4.CC5(C)C6CCC(C)([S-])C5C6.CC7(C)C8CCC(C)([S-])C7C8,"InChI=1/4C10H18S.Pt/c4*1-9(2)7-4-5-10(3,11)8(9)6-7;/h4*7-8,11H,4-6H2,1-3H3;/q;;;;+4/p-4",C10H18S.1/4Pt,,,,,,VLBINQWVZKEANB-UHFFFAOYSA-J,,,,,,,,,,,
100.099.616,309-649-7,100683-81-6,5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxybenzo[b]thiophene-2-carboxamide dihydrochloride,5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide dihydrochloride,Cl.Cl.CCN1CCCC1CNC(=O)c2sc3ccc(N)cc3c2OC,Cl.Cl.CCN1CCCC1CNC(=O)c2sc3ccc(N)cc3c2OC,"InChI=1/C17H23N3O2S.2ClH/c1-3-20-8-4-5-12(20)10-19-17(21)16-15(22-2)13-9-11(18)6-7-14(13)23-16;;/h6-7,9,12H,3-5,8,10,18H2,1-2H3,(H,19,21);2*1H",C17H23N3O2S.2ClH,,,,,,LDOMVMLAICDMGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.862,307-699-4,97692-46-1,1-(3-methoxyphenyl)tridecane-1-carbonitrile,2-(3-methoxyphenyl)tetradecanenitrile,CCCCCCCCCCCCC(C#N)c1cccc(OC)c1,CCCCCCCCCCCCC(C#N)c1cccc(OC)c1,"InChI=1/C21H33NO/c1-3-4-5-6-7-8-9-10-11-12-14-20(18-22)19-15-13-16-21(17-19)23-2/h13,15-17,20H,3-12,14H2,1-2H3",C21H33NO,,,,,,XQFUAOZYESVVFL-UHFFFAOYSA-N,,,,,,,,,,,
100.099.375,309-384-7,100258-40-0,"27-methyl-2,5,8,11,14,17,20,23,26-nonaoxaoctacosane","27-methyl-2,5,8,11,14,17,20,23,26-nonaoxaoctacosane",COCCOCCOCCOCCOCCOCCOCCOCCOC(C)C,COCCOCCOCCOCCOCCOCCOCCOCCOC(C)C,"InChI=1/C20H42O9/c1-20(2)29-19-18-28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-3/h20H,4-19H2,1-3H3",C20H42O9,,,,,,CDKPNBHJUVRFOT-UHFFFAOYSA-N,,,,,,,,,,,
100.099.376,309-385-2,100258-41-1,"30-methyl-2,5,8,11,14,17,20,23,26,29-decaoxahentriacontane","30-methyl-2,5,8,11,14,17,20,23,26,29-decaoxahentriacontane",COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(C)C,COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(C)C,"InChI=1/C22H46O10/c1-22(2)32-21-20-31-19-18-30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-24-5-4-23-3/h22H,4-21H2,1-3H3",C22H46O10,,,,,,LNFDGGCKYXVWNP-UHFFFAOYSA-N,,,,,,,,,,,
100.081.370,289-539-2,89923-46-6,"N,N'-[(6-amino-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)","N,N'-{(6-amino-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide",Nc1nc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)nc(Nc6ccc(NC(=O)c7ccccc7)c8C(=O)c9ccccc9C(=O)c68)n1,Nc1nc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)nc(Nc6ccc(NC(=O)c7ccccc7)c8C(=O)c9ccccc9C(=O)c68)n1,"InChI=1/C45H28N8O6/c46-43-51-44(49-31-21-19-29(47-41(58)23-11-3-1-4-12-23)33-35(31)39(56)27-17-9-7-15-25(27)37(33)54)53-45(52-43)50-32-22-20-30(48-42(59)24-13-5-2-6-14-24)34-36(32)40(57)28-18-10-8-16-26(28)38(34)55/h1-22H,(H,47,58)(H,48,59)(H4,46,49,50,51,52,53)",C45H28N8O6,,,,,,ODWPLMDIBUMCHK-UHFFFAOYSA-N,,,,,,,,,,,
100.082.877,291-199-5,90366-58-8,"Dodecanoic acid, zinc salt, basic",-,[Zn+2].CCCCCCCCCCCC(=O)[O-],[Zn+2].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+2/p-1",-,,,,,,BJSJDMZNLVWNMF-UHFFFAOYSA-M,,,,,,,,,,,
100.079.621,287-613-9,85554-80-9,"m-(4,5-dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid","3-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(CC1)c2cccc(c2)S(=O)(=O)O,CC1=NN(CC1)c2cccc(c2)S(=O)(=O)O,"InChI=1/C10H12N2O3S/c1-8-5-6-12(11-8)9-3-2-4-10(7-9)16(13,14)15/h2-4,7H,5-6H2,1H3,(H,13,14,15)",C10H12N2O3S,,,,,,SEUZLZALGROLPM-UHFFFAOYSA-N,,,,,,,,,,,
100.079.624,287-617-0,85554-83-2,"2,3-dibromo-2-methylbutyronitrile","2,3-dibromo-2-methylbutanenitrile",CC(Br)C(C)(Br)C#N,CC(Br)C(C)(Br)C#N,"InChI=1/C5H7Br2N/c1-4(6)5(2,7)3-8/h4H,1-2H3",C5H7Br2N,,,,,,SBFUFGSTQOIQIN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.129,289-274-2,86702-61-6,N-[3-(tetradecylamino)propyl]-D-gluconamide,"2,3,4,5,6-pentahydroxy-N-[3-(tetradecylamino)propyl]hexanamide (non-preferred name)",CCCCCCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C23H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-16-14-17-25-23(31)22(30)21(29)20(28)19(27)18-26/h19-22,24,26-30H,2-18H2,1H3,(H,25,31)",C23H48N2O6,,,,,,XFVQQMHINKBMJQ-YUMYIRISSA-N,,,,,,,,,,,
100.081.132,289-277-9,86728-74-7,"Tetrahydro-2H-pyran-2,3-diol","tetrahydro-2H-pyran-2,3-diol",OC1CCCOC1O,OC1CCCOC1O,"InChI=1/C5H10O3/c6-4-2-1-3-8-5(4)7/h4-7H,1-3H2",C5H10O3,,,,,,MIAXJJCAIQVKPX-UHFFFAOYSA-N,,,,,,,,,,,
100.081.135,289-281-0,86808-51-7,2-[(ethoxycarbonyl)methylamino]-5-methoxy-4-[(4-methylphenyl)thio]benzenediazonium hydrogen sulphate,2-[(2-ethoxy-2-oxoethyl)amino]-5-methoxy-4-[(4-methylphenyl)sulfanyl]benzenediazonium hydrogen sulfate,CCOC(=O)CNc1cc(Sc2ccc(C)cc2)c(OC)cc1[N+]#N.[O-]S(=O)(=O)[O-],CCOC(=O)CNc1cc(Sc2ccc(C)cc2)c(OC)cc1[N+]#N.[O-]S(=O)(=O)[O-],"InChI=1/C18H20N3O3S.H2O4S/c1-4-24-18(22)11-20-14-10-17(16(23-3)9-15(14)21-19)25-13-7-5-12(2)6-8-13;1-5(2,3)4/h5-10,20H,4,11H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2",C18H20N3O3S.HO4S,,,,,,LZKSXXDPGPUJOV-UHFFFAOYSA-L,,,,,,,,,,,
100.081.136,289-282-6,86812-21-7,[1-(methylphenyl)vinyl]phosphonic acid,[1-(2-methylphenyl)vinyl]phosphonic acid,Cc1ccccc1C(=C)P(=O)(O)O,Cc1ccccc1C(=C)P(=O)(O)O,"InChI=1/C9H11O3P/c1-7-5-3-4-6-9(7)8(2)13(10,11)12/h3-6H,2H2,1H3,(H2,10,11,12)",C9H11O3P,,,,,,HWYPDXFWZOOHKL-UHFFFAOYSA-N,,,,,,,,,,,
100.081.138,289-284-7,86831-83-6,1-butoxy-3-(phenylmethoxy)propan-2-ol,1-(benzyloxy)-3-butoxypropan-2-ol,CCCCOCC(O)COCc1ccccc1,CCCCOCC(O)COCc1ccccc1,"InChI=1/C14H22O3/c1-2-3-9-16-11-14(15)12-17-10-13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3",C14H22O3,,,,,,ZMOVOCVQXFKQEA-UHFFFAOYSA-N,,,,,,,,,,,
100.081.139,289-285-2,86890-95-1,N-tosylglycyl-L-prolyl-N-(p-nitrophenyl)-L-argininamide monoacetate,N-[(4-methylphenyl)sulfonyl]glycyl-L-prolyl-N-(4-nitrophenyl)-L-argininamide acetate,O=C(N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O)[C@@H]3CCCN3C(=O)CNS(=O)(=O)c2ccc(C)cc2.CC(O)=O,O=C(N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O)[C@@H]3CCCN3C(=O)CNS(=O)(=O)c2ccc(C)cc2.CC(O)=O,"InChI=1/C26H34N8O7S.C2H4O2/c1-17-6-12-20(13-7-17)42(40,41)30-16-23(35)33-15-3-5-22(33)25(37)32-21(4-2-14-29-26(27)28)24(36)31-18-8-10-19(11-9-18)34(38)39;1-2(3)4/h6-13,21-22,30H,2-5,14-16H2,1H3,(H,31,36)(H,32,37)(H4,27,28,29);1H3,(H,3,4)",C26H34N8O7S.C2H4O2,,,,,,NGXDRWVTRQRSED-VROPFNGYSA-N,,,,,,,,,,,
100.081.140,289-286-8,86902-94-5,"1,5-diamidinobiuret","N,N'-dicarbamimidoyldicarbonimidic diamide",NC(=N)NC(=O)NC(=O)NC(=N)N,NC(=N)NC(=O)NC(=O)NC(=N)N,"InChI=1/C4H9N7O2/c5-1(6)9-3(12)11-4(13)10-2(7)8/h(H9,5,6,7,8,9,10,11,12,13)",C4H9N7O2,,,,,,VDBAMTUNZNBVLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.153,289-300-2,87141-87-5,2-carbamoyl-1-methylpyridinium methanesulphonate,2-carbamoyl-1-methylpyridinium methanesulfonate,C[n+]1ccccc1C(=O)N.CS(=O)(=O)[O-],C[n+]1ccccc1C(=O)N.CS(=O)(=O)[O-],"InChI=1/C7H8N2O.CH4O3S/c1-9-5-3-2-4-6(9)7(8)10;1-5(2,3)4/h2-5H,1H3,(H-,8,10);1H3,(H,2,3,4)",C7H9N2O.CH3O3S,,,,,,NZZXIYVJOYXYHP-UHFFFAOYSA-N,,,,,,,,,,,
100.081.161,289-309-1,87246-72-8,1-deoxy-1-[methyl(1-oxododecyl)amino]-D-glucitol,1-deoxy-1-[dodecanoyl(methyl)amino]-D-glucitol,CCCCCCCCCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCCCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C19H39NO6/c1-3-4-5-6-7-8-9-10-11-12-17(24)20(2)13-15(22)18(25)19(26)16(23)14-21/h15-16,18-19,21-23,25-26H,3-14H2,1-2H3",C19H39NO6,,,,,,OGUKJRCPWCNIQL-QFHJOOASSA-N,,,,,,,,,,,
100.093.897,303-333-2,94166-37-7,"Potassium 4-[2,5-dihydro-2-oxo-5-[(1-phenyl-1H-tetraazol-5-yl)thio]-4-[4-(tetradecyloxy)phenyl]-1H-imidazol-1-yl]benzenesulphonate","potassium 4-{2-oxo-5-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-4-[4-(tetradecyloxy)phenyl]-2,5-dihydro-1H-imidazol-1-yl}benzenesulfonate",[K+].CCCCCCCCCCCCCCOc1ccc(cc1)C2=NC(=O)N(C2Sc3nnnn3c4ccccc4)c5ccc(cc5)S(=O)(=O)[O-],[K+].CCCCCCCCCCCCCCOc1ccc(cc1)C2=NC(=O)N(C2Sc3nnnn3c4ccccc4)c5ccc(cc5)S(=O)(=O)[O-],"InChI=1/C36H44N6O5S2.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-27-47-31-23-19-28(20-24-31)33-34(48-36-38-39-40-42(36)30-17-14-13-15-18-30)41(35(43)37-33)29-21-25-32(26-22-29)49(44,45)46;/h13-15,17-26,34H,2-12,16,27H2,1H3,(H,44,45,46);/q;+1/p-1",C36H44N6O5S2.K,,,,,,AWMFGYLMXSKZTP-UHFFFAOYSA-M,,,,,,,,,,,
100.093.899,303-335-3,94166-39-9,2-[(1-methyl-2(1H)-quinolylidene)amino]-1-(3-sulphonatopropyl)quinolinium,3-{2-[(1-methylquinolin-2(1H)-ylidene)amino]quinolinium-1-yl}propane-1-sulfonate,[O-]S(=O)(=O)CCC[n+]3c4ccccc4ccc3N=C2\\C=C/c1ccccc1N2C,[O-]S(=O)(=O)CCC[n+]3c4ccccc4ccc3N=C2\C=C/c1ccccc1N2C,"InChI=1/C22H21N3O3S/c1-24-19-9-4-2-7-17(19)11-13-21(24)23-22-14-12-18-8-3-5-10-20(18)25(22)15-6-16-29(26,27)28/h2-5,7-14H,6,15-16H2,1H3",C22H21N3O3S,,,,,,KOPNOYPGGMNVSV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.910,303-347-9,94166-52-6,Potassium N-hydroxylauramidate,N-hydroxydodecanamide,CCCCCCCCCCCC(=O)NO,CCCCCCCCCCCC(=O)NO,"InChI=1/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13-15/h15H,2-11H2,1H3,(H,13,14)",C12H25NO2.K,,,,,,HINLVYCXMWGFEP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.917,303-355-2,94166-59-3,2-(6-methoxy-3-nitro-2-pyridylamino)ethanol,2-[(6-methoxy-3-nitropyridin-2-yl)amino]ethanol,COc1ccc(c(NCCO)n1)[N+](=O)[O-],COc1ccc(c(NCCO)n1)[N+](=O)[O-],"InChI=1/C8H11N3O4/c1-15-7-3-2-6(11(13)14)8(10-7)9-4-5-12/h2-3,12H,4-5H2,1H3,(H,9,10)",C8H11N3O4,,,,,,VEAWFIZYHVCIBA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.919,303-357-3,94166-61-7,2-[(3-amino-6-methoxy-2-pyridyl)methylamino]ethanol dihydrochloride,2-[(3-amino-6-methoxypyridin-2-yl)(methyl)amino]ethanol dihydrochloride,Cl.Cl.COc1ccc(N)c(n1)N(C)CCO,Cl.Cl.COc1ccc(N)c(n1)N(C)CCO,"InChI=1/C9H15N3O2.2ClH/c1-12(5-6-13)9-7(10)3-4-8(11-9)14-2;;/h3-4,13H,5-6,10H2,1-2H3;2*1H",C9H15N3O2.2ClH,,,,,,XJKLTTQVYKNLRL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.920,303-358-9,94166-62-8,"6-methoxypyridine-2,3-diamine dihydrochloride","6-methoxypyridine-2,3-diamine dihydrochloride",Cl.Cl.COc1ccc(N)c(N)n1,Cl.Cl.COc1ccc(N)c(N)n1,"InChI=1/C6H9N3O.2ClH/c1-10-5-3-2-4(7)6(8)9-5;;/h2-3H,7H2,1H3,(H2,8,9);2*1H",C6H9N3O.2ClH,,,,,,HFTXXPTXSCLIIP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.924,303-363-6,94166-66-2,"N2-phenylpyridine-2,5-diamine hydrochloride","N~2~-phenylpyridine-2,5-diamine hydrochloride",Cl.Nc1ccc(Nc2ccccc2)nc1,Cl.Nc1ccc(Nc2ccccc2)nc1,"InChI=1/C11H11N3.ClH/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10;/h1-8H,12H2,(H,13,14);1H",C11H11N3.xClH,,,,,,MNGBLMSZAYCLBI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.926,303-365-7,94166-68-4,"Ammonium hydrogen 7-aminonaphthalene-1,3-disulphonate","ammonium hydrogen 7-aminonaphthalene-1,3-disulfonate",[NH4+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],[NH4+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO6S2.H3N/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1H3/p-1",C10H9NO6S2.H3N,,,,,,VLNLFXIUBGYWJL-UHFFFAOYSA-M,,,,,,,,,,,
100.093.933,303-373-0,94166-75-3,"4-[bis[4-(ethylamino)-3-methylphenyl]methyl]benzene-1,3-disulphonic acid","4-{bis[4-(ethylamino)-3-methylphenyl]methyl}benzene-1,3-disulfonic acid",CCNc1ccc(cc1C)C(c2ccc(NCC)c(C)c2)c3ccc(cc3S(=O)(=O)O)S(=O)(=O)O,CCNc1ccc(cc1C)C(c2ccc(NCC)c(C)c2)c3ccc(cc3S(=O)(=O)O)S(=O)(=O)O,"InChI=1/C25H30N2O6S2/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33/h7-15,25-27H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33)",C25H30N2O6S2,,,,,,RTUBHMZPHXKJST-UHFFFAOYSA-N,,,,,,,,,,,
100.093.934,303-374-6,94166-76-4,Disodium 7-amino-4-hydroxy-8-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate,disodium 7-amino-4-hydroxy-8-[(3-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc3c(N)ccc2c3cc(cc2O)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc3c(N)ccc2c3cc(cc2O)S([O-])(=O)=O,"InChI=1/C16H13N3O7S2.2Na/c17-14-5-4-12-13(7-11(8-15(12)20)28(24,25)26)16(14)19-18-9-2-1-3-10(6-9)27(21,22)23;;/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",C16H13N3O7S2.2Na,,,,,,HXHJTOIGPGGSRT-UHFFFAOYSA-L,,,,,,,,,,,
100.093.941,303-381-4,94166-83-3,5-(o-isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate,"1,3-diisocyanato-5-(2-isocyanatobenzyl)-2-methylbenzene",Cc1c(cc(Cc2ccccc2N=C=O)cc1N=C=O)N=C=O,Cc1c(cc(Cc2ccccc2N=C=O)cc1N=C=O)N=C=O,"InChI=1/C17H11N3O3/c1-12-16(19-10-22)7-13(8-17(12)20-11-23)6-14-4-2-3-5-15(14)18-9-21/h2-5,7-8H,6H2,1H3",C17H11N3O3,,,,,,GMRNPNMSFIZWBC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.979,303-423-1,94199-50-5,"Benzyl N-[4-[[4,5-dicyano-1-(cyanomethyl)-1H-imidazol-2-yl]azo]phenyl]-N-methylglycinate","benzyl N-(4-{[4,5-dicyano-1-(cyanomethyl)-1H-imidazol-2-yl]diazenyl}phenyl)-N-methylglycinate",O=C(OCc1ccccc1)CN(C)c2ccc(cc2)N=Nc3nc(C#N)c(C#N)n3CC#N,O=C(OCc1ccccc1)CN(C)c2ccc(cc2)N=Nc3nc(C#N)c(C#N)n3CC#N,"InChI=1/C23H18N8O2/c1-30(15-22(32)33-16-17-5-3-2-4-6-17)19-9-7-18(8-10-19)28-29-23-27-20(13-25)21(14-26)31(23)12-11-24/h2-10H,12,15-16H2,1H3",C23H18N8O2,,,,,,GORZOAWJKSYZIM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.690,303-105-2,94158-34-6,"1,2,3,4,10,14b-hexahydro-2-methyldibenzo[c,f]pyrazino[1,2-a]azepine maleate","2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine but-2-enedioate",CN1CCN2C(C1)c3ccccc3Cc4ccccc24.OC(=O)\\C=C/C(=O)O,CN1CCN2C(C1)c3ccccc3Cc4ccccc24.OC(=O)\C=C/C(=O)O,"InChI=1/C18H20N2.C4H4O4/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;5-3(6)1-2-4(7)8/h2-9,18H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)",C18H20N2.C4H4O4,,,,,,WYSQBVHSFFNHKM-BTJKTKAUSA-N,,,,,,,,,,,
100.093.692,303-107-3,94158-37-9,Dibutylammonium hydrogen sulphate,N-butylbutan-1-aminium hydrogen sulfate,CCCC[NH2+]CCCC.[O-]S(=O)(=O)[O-],CCCC[NH2+]CCCC.[O-]S(=O)(=O)[O-],"InChI=1/C8H19N.H2O4S/c1-3-5-7-9-8-6-4-2;1-5(2,3)4/h9H,3-8H2,1-2H3;(H2,1,2,3,4)/p-1",C8H19N.H2O4S,,,,,,WKCUMEYLYRIBCI-UHFFFAOYSA-M,,,,,,,,,,,
100.093.697,303-113-6,94158-42-6,"Tetrasodium 3,3'-[iminobis[[4-hydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]-2,1-phenylene]azo-4,1-phenyleneimino]]bis[6-nitrobenzenesulphonate]","tetrasodium 2,2'-(iminobis{[2-hydroxy-5-({4-[(4-nitro-3-sulfonatophenyl)amino]phenyl}diazenyl)-4,1-phenylene]diazene-2,1-diyl-4,1-phenyleneimino})bis(5-nitrobenzenesulfonate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1[N+](=O)[O-])Nc2ccc(cc2)N=Nc%10cc(N=Nc4ccc(Nc3ccc(cc3S(=O)([O-])=O)[N+](=O)[O-])cc4)c(O)cc%10Nc9cc(O)c(N=Nc6ccc(Nc5ccc(cc5S([O-])(=O)=O)[N+]([O-])=O)cc6)cc9N=Nc8ccc(Nc7ccc([N+]([O-])=O)c(c7)S([O-])(=O)=O)cc8,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1[N+](=O)[O-])Nc2ccc(cc2)N=Nc%10cc(N=Nc4ccc(Nc3ccc(cc3S(=O)([O-])=O)[N+](=O)[O-])cc4)c(O)cc%10Nc9cc(O)c(N=Nc6ccc(Nc5ccc(cc5S([O-])(=O)=O)[N+]([O-])=O)cc6)cc9N=Nc8ccc(Nc7ccc([N+]([O-])=O)c(c7)S([O-])(=O)=O)cc8,"InChI=1/C60H43N17O22S4.4Na/c78-55-31-47(49(70-66-37-9-1-33(2-10-37)61-41-17-23-53(76(84)85)59(25-41)102(94,95)96)29-51(55)72-68-39-13-5-35(6-14-39)63-45-21-19-43(74(80)81)27-57(45)100(88,89)90)65-48-32-56(79)52(73-69-40-15-7-36(8-16-40)64-46-22-20-44(75(82)83)28-58(46)101(91,92)93)30-50(48)71-67-38-11-3-34(4-12-38)62-42-18-24-54(77(86)87)60(26-42)103(97,98)99;;;;/h1-32,61-65,78-79H,(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99);;;;/q;4*+1/p-4",C60H43N17O22S4.4Na,,,,,,LWUYVRQRTOUVIV-UHFFFAOYSA-J,,,,,,,,,,,
100.093.700,303-116-2,94158-45-9,2-(triethoxysilyl)ethyl cyanate,2-(triethoxysilyl)ethyl cyanate,CCO[Si](CCOC#N)(OCC)OCC,CCO[Si](CCOC#N)(OCC)OCC,"InChI=1/C9H19NO4Si/c1-4-12-15(13-5-2,14-6-3)8-7-11-9-10/h4-8H2,1-3H3",C9H19NO4Si,,,,,,JSJXUOKWTYOFMM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.702,303-118-3,94158-47-1,"2,3,4,5-tetrahydro-2,2-dimethoxy-1,2-benzoxasilepin","2,2-dimethoxy-2,3,4,5-tetrahydro-1,2-benzoxasilepine",CO[Si]1(CCCc2ccccc2O1)OC,CO[Si]1(CCCc2ccccc2O1)OC,"InChI=1/C11H16O3Si/c1-12-15(13-2)9-5-7-10-6-3-4-8-11(10)14-15/h3-4,6,8H,5,7,9H2,1-2H3",C11H16O3Si,,,,,,UIMKIFAISLCAGY-UHFFFAOYSA-N,,,,,,,,,,,
100.093.709,303-126-7,94158-54-0,[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl] hydrogen fumarate,4-{4-[1-(4-hydroxyphenyl)-1-methylethyl]phenoxy}-4-oxobut-2-enoic acid,CC(C)(c1ccc(O)cc1)c2ccc(OC(=O)\\C=C\\C(=O)O)cc2,CC(C)(c1ccc(O)cc1)c2ccc(OC(=O)\C=C\C(=O)O)cc2,"InChI=1/C19H18O5/c1-19(2,13-3-7-15(20)8-4-13)14-5-9-16(10-6-14)24-18(23)12-11-17(21)22/h3-12,20H,1-2H3,(H,21,22)",C19H18O5,,,,,,YGVINVPNQKMIAI-VAWYXSNFSA-N,,,,,,,,,,,
100.093.714,303-131-4,94158-60-8,"(dodecyl)trimethylammonium 2,2,3,3-tetrafluoropropionate","N,N,N-trimethyldodecan-1-aminium 2,2,3,3-tetrafluoropropanoate",CCCCCCCCCCCC[N+](C)(C)C.[O-]C(=O)C(F)(F)C(F)F,CCCCCCCCCCCC[N+](C)(C)C.[O-]C(=O)C(F)(F)C(F)F,"InChI=1/C15H34N.C3H2F4O2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;4-1(5)3(6,7)2(8)9/h5-15H2,1-4H3;1H,(H,8,9)/q+1;/p-1",C15H34N.C3HF4O2,,,,,,ORNIFVVKJYQEGF-UHFFFAOYSA-M,,,,,,,,,,,
100.093.716,303-134-0,94158-62-0,"1-[2-(2-butoxyethoxy)ethoxy]-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol","1-[2-(2-butoxyethoxy)ethoxy]-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol",CCCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CCCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C20H23F19O4/c1-2-3-4-41-5-6-42-7-8-43-10-11(40)9-12(21,22)14(24,25)16(28,29)18(32,33)17(30,31)15(26,27)13(23,19(34,35)36)20(37,38)39/h11,40H,2-10H2,1H3",C20H23F19O4,,,,,,AGXPCTAFKVXMEO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.719,303-137-7,94158-65-3,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl methacrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl methacrylate",CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C23H9F35O2/c1-5(2)6(59)60-4-3-7(24,25)9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)20(49,50)18(45,46)16(41,42)14(37,38)12(33,34)10(29,30)8(26,22(53,54)55)23(56,57)58/h1,3-4H2,2H3",C23H9F35O2,,,,,,BEMICOOQLAQVTK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.745,303-166-5,94158-91-5,"2-[formyl(2-hydroxyethyl)amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate","2-[formyl(2-hydroxyethyl)amino]ethyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCCN(CCO)C=O,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCN(CCO)C=O,"InChI=1/C23H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)28-21-19-24(22-26)18-20-25/h6-7,9-10,22,25H,2-5,8,11-21H2,1H3",C23H41NO4,,,,,,ANOSNTXCZJBWIY-HZJYTTRNSA-N,,,,,,,,,,,
100.095.923,305-561-8,94713-16-3,"(5a)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-one","3-methoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan-8-one",COc1ccc2C[C@@H]3[C@@H]4C(=O)C=C[C@@H]5Oc1c2[C@]45CCN3C,COc1ccc2C[C@@H]3[C@@H]4C(=O)C=C[C@@H]5Oc1c2[C@]45CCN3C,"InChI=1/C18H19NO3/c1-19-8-7-18-14-6-4-12(20)16(18)11(19)9-10-3-5-13(21-2)17(22-14)15(10)18/h3-6,11,14,16H,7-9H2,1-2H3",C18H19NO3,,,,,,DLQCMOZWGPWEFE-FRYJOBKFSA-N,,,,,,,,,,,
100.095.924,305-562-3,94713-17-4,"3,4,7,8,9,10-hexahydro-5,7,7,8,10,10-hexamethyl-1H-naphtho[1,2-c]pyran","5,7,7,8,10,10-hexamethyl-3,4,7,8,9,10-hexahydro-1H-benzo[h]isochromene",CC1CC(C)(C)c2c3COCCc3c(C)cc2C1(C)C,CC1CC(C)(C)c2c3COCCc3c(C)cc2C1(C)C,"InChI=1/C19H28O/c1-12-9-16-17(15-11-20-8-7-14(12)15)18(3,4)10-13(2)19(16,5)6/h9,13H,7-8,10-11H2,1-6H3",C19H28O,,,,,,DNHDTRSUILNHHX-UHFFFAOYSA-N,,,,,,,,,,,
100.095.925,305-563-9,94713-18-5,"2-methyl-4-(octahydro-4,7-dimethyl-1H-inden-5-yl)cyclohexan-1-one","4-(4,7-dimethyloctahydro-1H-inden-5-yl)-2-methylcyclohexanone",CC1CC(C2CCC(=O)C(C)C2)C(C)C3CCCC13,CC1CC(C2CCC(=O)C(C)C2)C(C)C3CCCC13,"InChI=1/C18H30O/c1-11-10-17(13(3)16-6-4-5-15(11)16)14-7-8-18(19)12(2)9-14/h11-17H,4-10H2,1-3H3",C17H26O,,,,,,HESUAYWGYLKVEU-UHFFFAOYSA-N,,,,,,,,,,,
100.095.932,305-571-2,94713-27-6,"1,3,4,14b-tetrahydro-2,7-dimethyl-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine monohydrochloride","2,7-dimethyl-1,3,4,14b-tetrahydro-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine hydrochloride",Cl.CN1CCN2C(C1)c3ccccc3Oc4ccc(C)cc24,Cl.CN1CCN2C(C1)c3ccccc3Oc4ccc(C)cc24,"InChI=1/C18H20N2O.ClH/c1-13-7-8-18-15(11-13)20-10-9-19(2)12-16(20)14-5-3-4-6-17(14)21-18;/h3-8,11,16H,9-10,12H2,1-2H3;1H",C18H20N2O.ClH,,,,,,YBPORNTXIWVUOL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.938,305-578-0,94732-95-3,"(E)-4-[3-bromo-1-(4-nitrophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl",4-[3-bromo-1-(4-nitrophenyl)prop-1-en-1-yl]-4'-chlorobiphenyl,[O-][N+](=O)c1ccc(cc1)\\C(=C\\CBr)\\c2ccc(cc2)c3ccc(Cl)cc3,[O-][N+](=O)c1ccc(cc1)\C(=C\CBr)\c2ccc(cc2)c3ccc(Cl)cc3,"InChI=1/C21H15BrClNO2/c22-14-13-21(18-7-11-20(12-8-18)24(25)26)17-3-1-15(2-4-17)16-5-9-19(23)10-6-16/h1-13H,14H2",C21H15BrClNO2,,,,,,GQBFSMFIHUYXCM-FYJGNVAPSA-N,,,,,,,,,,,
100.095.939,305-579-6,94732-96-4,"(E)-4-[3-bromo-1-(4-chlorophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl",4-[3-bromo-1-(4-chlorophenyl)prop-1-en-1-yl]-4'-chlorobiphenyl,Clc1ccc(cc1)\\C(=C\\CBr)\\c2ccc(cc2)c3ccc(Cl)cc3,Clc1ccc(cc1)\C(=C\CBr)\c2ccc(cc2)c3ccc(Cl)cc3,"InChI=1/C21H15BrCl2/c22-14-13-21(18-7-11-20(24)12-8-18)17-3-1-15(2-4-17)16-5-9-19(23)10-6-16/h1-13H,14H2",C21H15BrCl2,,,,,,UHMITVQUNZOQJG-FYJGNVAPSA-N,,,,,,,,,,,
100.095.940,305-580-1,94732-97-5,"(Z)-4-[3-bromo-1-(4-nitrophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl",4-[3-bromo-1-(4-nitrophenyl)prop-1-en-1-yl]-4'-chlorobiphenyl,[O-][N+](=O)c1ccc(cc1)\\C(=C/CBr)\\c2ccc(cc2)c3ccc(Cl)cc3,[O-][N+](=O)c1ccc(cc1)\C(=C/CBr)\c2ccc(cc2)c3ccc(Cl)cc3,"InChI=1/C21H15BrClNO2/c22-14-13-21(18-7-11-20(12-8-18)24(25)26)17-3-1-15(2-4-17)16-5-9-19(23)10-6-16/h1-13H,14H2",C21H15BrClNO2,,,,,,GQBFSMFIHUYXCM-BKUYFWCQSA-N,,,,,,,,,,,
100.095.961,305-604-0,94825-15-7,(2-hydroxyethyl)ammonium 2-(dodecyloxy)ethyl sulphate,2-hydroxyethanaminium 2-(dodecyloxy)ethyl sulfate,CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[NH3+]CCO,CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[NH3+]CCO,"InChI=1/C14H30O5S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;3-1-2-4/h2-14H2,1H3,(H,15,16,17);4H,1-3H2",C14H30O5S.C2H7NO,,,,,,JIEGFJDQHRUKGH-UHFFFAOYSA-N,,,,,,,,,,,
100.099.447,309-463-6,100335-19-1,"Silver(1+) 2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiolate","silver(1+) 2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiolate",[Ag+].CC1(C)C2CCC(C)([S-])C1C2,[Ag+].CC1(C)C2CCC(C)([S-])C1C2,"InChI=1/C10H18S.Ag/c1-9(2)7-4-5-10(3,11)8(9)6-7;/h7-8,11H,4-6H2,1-3H3;/q;+1/p-1",C10H18S.Ag,,,,,,LEDXWCVTTAIPGU-UHFFFAOYSA-M,,,,,,,,,,,
100.099.250,309-237-7,100208-36-4,"2,4,6,9,12-pentaoxahexadecan-1-ol","2,4,6,9,12-pentaoxahexadecan-1-ol",CCCCOCCOCCOCOCOCO,CCCCOCCOCCOCOCOCO,"InChI=1/C11H24O6/c1-2-3-4-13-5-6-14-7-8-15-10-17-11-16-9-12/h12H,2-11H2,1H3",C11H24O6,,,,,,GFOGXEVYGYEXEE-UHFFFAOYSA-N,,,,,,,,,,,
100.099.251,309-238-2,100208-37-5,2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethanol,2-{2-[2-(hydroxymethoxy)ethoxy]ethoxy}ethanol,OCCOCCOCCOCO,OCCOCCOCCOCO,"InChI=1/C7H16O5/c8-1-2-10-3-4-11-5-6-12-7-9/h8-9H,1-7H2",C7H16O5,,,,,,ZZCFMIFSHLELND-UHFFFAOYSA-N,,,,,,,,,,,
100.099.252,309-239-8,100208-38-6,"2,4,7,10-tetraoxadodecane-1,12-diol","2,4,7,10-tetraoxadodecane-1,12-diol",OCCOCCOCCOCOCO,OCCOCCOCCOCOCO,"InChI=1/C8H18O6/c9-1-2-11-3-4-12-5-6-13-8-14-7-10/h9-10H,1-8H2",C8H18O6,,,,,,ZEAFLXVVHBSTHI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.386,306-075-9,95892-16-3,2-(4-aminosulphophenyl)-6-methylbenzothiazole-7-sulphonic acid,"2-(4-amino-2-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid",Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3S(=O)(=O)O,Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3S(=O)(=O)O,"InChI=1/C14H12N2O6S3/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)9-4-3-8(15)6-11(9)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)",C14H12N2O6S3,,,,,,HCHWBHDUXGYWHU-UHFFFAOYSA-N,,,,,,,,,,,
100.079.392,287-362-5,85480-80-4,2-[[[4-hydroxy-3-[[2-hydroxy-8-[(methoxycarbonyl)amino]-1-naphthyl]azo]phenyl]sulphonyl]amino]benzoic acid,2-({[4-hydroxy-3-({2-hydroxy-8-[(methoxycarbonyl)amino]-1-naphthyl}diazenyl)phenyl]sulfonyl}amino)benzoic acid,Oc3ccc(cc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)S(=O)(=O)Nc4ccccc4C(O)=O,Oc3ccc(cc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)S(=O)(=O)Nc4ccccc4C(O)=O,"InChI=1/C25H20N4O8S/c1-37-25(34)26-18-8-4-5-14-9-11-21(31)23(22(14)18)28-27-19-13-15(10-12-20(19)30)38(35,36)29-17-7-3-2-6-16(17)24(32)33/h2-13,29-31H,1H3,(H,26,34)(H,32,33)",C25H20N4O8S,,,,,,ZOTWLBVZCRTKCL-UHFFFAOYSA-N,,,,,,,,,,,
100.079.394,287-364-6,85480-82-6,"3-[(4-amino-1-naphthyl)azo]naphthalene-2,7-disulphonic acid","3-[(4-amino-1-naphthyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)c3ccc4cc(N=Nc2ccc(N)c1ccccc12)c(cc4c3)S(O)(=O)=O,OS(=O)(=O)c3ccc4cc(N=Nc2ccc(N)c1ccccc12)c(cc4c3)S(O)(=O)=O,"InChI=1/C20H15N3O6S2/c21-17-7-8-18(16-4-2-1-3-15(16)17)22-23-19-10-12-5-6-14(30(24,25)26)9-13(12)11-20(19)31(27,28)29/h1-11H,21H2,(H,24,25,26)(H,27,28,29)",C20H15N3O6S2,,,,,,OXBACEUPBWCFNY-UHFFFAOYSA-N,,,,,,,,,,,
100.079.403,287-374-0,85480-94-0,"4-[2-[(2-hydroxyethyl)(1-oxooleyl)amino]ethyl] hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)","4-{2-[(2-hydroxyethyl)(oleoyl)amino]ethoxy}-4-oxo-2-sulfobutanoic acid - 2,2',2''-nitrilotriethanol (1:2)",CCCCCCCC\\C=C/CCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,"InChI=1/C26H47NO9S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-25(30)22-23(26(31)32)37(33,34)35;2*8-4-1-7(2-5-9)3-6-10/h9-10,23,28H,2-8,11-22H2,1H3,(H,31,32)(H,33,34,35);2*8-10H,1-6H2",C26H47NO9S.2C6H15NO3,,,,,,JSESQAPMQIYNPC-XXAVUKJNSA-N,,,,,,,,,,,
100.079.405,287-376-1,85482-85-5,trans-4-(1-oxobutoxy)-1-(1-oxobutyl)-L-proline,1-butyryl-4-(butyryloxy)-L-proline,CCCC(=O)OC1C[C@H](N(C1)C(=O)CCC)C(=O)O,CCCC(=O)OC1C[C@H](N(C1)C(=O)CCC)C(=O)O,"InChI=1/C13H21NO5/c1-3-5-11(15)14-8-9(7-10(14)13(17)18)19-12(16)6-4-2/h9-10H,3-8H2,1-2H3,(H,17,18)",C13H21NO5,,,,,,XRFHWHZZTBJRTA-AXDSSHIGSA-N,,,,,,,,,,,
100.079.407,287-378-2,85497-01-4,"Phosphoric acid, ethyl ester, sodium salt",sodium ethyl hydrogen phosphate,[Na+].CCOP(=O)(O)[O-],[Na+].CCOP(=O)(O)[O-],"InChI=1/C2H7O4P.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H2,3,4,5);/q;+1/p-1",-,,,,,,RLDJXCABWJNFSN-UHFFFAOYSA-M,,,,,,,,,,,
100.081.172,289-321-7,87548-97-8,4-methyl-9H-thioxanthen-9-one,4-methyl-9H-thioxanthen-9-one,Cc1cccc2C(=O)c3ccccc3Sc12,Cc1cccc2C(=O)c3ccccc3Sc12,"InChI=1/C14H10OS/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h2-8H,1H3",C14H10OS,,,,,,IXBNDVAWTMCRPT-UHFFFAOYSA-N,,,,,,,,,,,
100.081.173,289-322-2,87564-37-2,"1,1',1'',1'''-[(8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-b:3',2'-m]triphenodioxazinetetrayl)tetrakis[methyleneimino(2-oxoethylene)]]tetrapyridinium tetrachloride","1,1',1'',1'''-{(8,18-dichloro-5,15-diethyl-5,15-dihydrocarbazolo[3',2':5,6][1,4]oxazino[2,3-b]indolo[2,3-i]phenoxazine-1,2,3,4-tetrayl)tetrakis[methyleneimino(1-oxoethane-2,1-diyl)]}tetrapyridinium tetrachloride",[Cl-].[Cl-].[Cl-].[Cl-].CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9c(CNCC(=O)[n+]%10ccccc%10)c(CNCC(=O)[n+]%11ccccc%11)c(CNCC(=O)[n+]%12ccccc%12)c(CNCC(=O)[n+]%13ccccc%13)c9n8CC)Cl,[Cl-].[Cl-].[Cl-].[Cl-].CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9c(CNCC(=O)[n+]%10ccccc%10)c(CNCC(=O)[n+]%11ccccc%11)c(CNCC(=O)[n+]%12ccccc%12)c(CNCC(=O)[n+]%13ccccc%13)c9n8CC)Cl,"InChI=1/C66H58Cl2N12O6.4ClH/c1-3-79-50-20-10-9-19-41(50)42-29-48-53(31-51(42)79)85-65-61(68)63-66(60(67)62(65)73-48)86-54-32-52-43(30-49(54)74-63)59-46(35-71-39-57(83)77-25-15-7-16-26-77)44(33-69-37-55(81)75-21-11-5-12-22-75)45(34-70-38-56(82)76-23-13-6-14-24-76)47(64(59)80(52)4-2)36-72-40-58(84)78-27-17-8-18-28-78;;;;/h5-32,69-72H,3-4,33-40H2,1-2H3;4*1H/q+4;;;;/p-4",C66H58Cl2N12O6.4Cl,,,,,,WSNPNQXSDAXPLM-UHFFFAOYSA-J,,,,,,,,,,,
100.081.176,289-325-9,87616-36-2,Hexadecyldimethyl[3-(stearoylamino)propyl]ammonium toluene-p-sulphonate,"N,N-dimethyl-N-[3-(stearoylamino)propyl]hexadecan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCCCCCCCCCCCCCC.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCCCCCCCCCCCCCC.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C39H80N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-35-39(42)40-36-34-38-41(3,4)37-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-38H2,1-4H3;2-5H,1H3,(H,8,9,10)",C39H81N2O.C7H7O3S,,,,,,HNRNSEHDIZRHCT-UHFFFAOYSA-N,,,,,,,,,,,
100.081.179,289-329-0,87619-90-7,(E)-3-hexenyl octanoate,hex-3-en-1-yl octanoate,CCCCCCCC(=O)OCC\\C=C\\CC,CCCCCCCC(=O)OCC\C=C\CC,"InChI=1/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9-13H2,1-2H3",C14H26O2,,,,,,DYIDDAHHUMHEEQ-SOFGYWHQSA-N,,,,,,,,,,,
100.081.181,289-331-1,87698-54-2,Methyl 2-cyano-3-hydroxyacrylate,methyl 2-cyano-3-hydroxyacrylate,COC(=O)\\C(=C/O)\\C#N,COC(=O)\C(=C/O)\C#N,"InChI=1/C5H5NO3/c1-9-5(8)4(2-6)3-7/h3,7H,1H3",C5H5NO3,,,,,,ZENGSDRPRGWNLF-ARJAWSKDSA-N,,,,,,,,,,,
100.081.192,289-343-7,87750-59-2,6'-fluoro-3'-methyl-2-(trifluoromethyl)benzophenone,(2-fluoro-5-methylphenyl)[2-(trifluoromethyl)phenyl]methanone,Cc1ccc(F)c(c1)C(=O)c2ccccc2C(F)(F)F,Cc1ccc(F)c(c1)C(=O)c2ccccc2C(F)(F)F,"InChI=1/C15H10F4O/c1-9-6-7-13(16)11(8-9)14(20)10-4-2-3-5-12(10)15(17,18)19/h2-8H,1H3",C15H10F4O,,,,,,OGWYQHNHSHDXQV-UHFFFAOYSA-N,,,,,,,,,,,
100.081.201,289-353-1,87849-05-6,Methyl (E)-3-[6-[1-hydroxy-1-(4-methylphenyl)-3-(1-pyrrolidinyl)propyl]-2-pyridyl]acrylate,methyl 3-{6-[1-hydroxy-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropyl]pyridin-2-yl}acrylate,COC(=O)\\C=C\\c1cccc(n1)C(O)(CCN2CCCC2)c3ccc(C)cc3,COC(=O)\C=C\c1cccc(n1)C(O)(CCN2CCCC2)c3ccc(C)cc3,"InChI=1/C23H28N2O3/c1-18-8-10-19(11-9-18)23(27,14-17-25-15-3-4-16-25)21-7-5-6-20(24-21)12-13-22(26)28-2/h5-13,27H,3-4,14-17H2,1-2H3",C23H28N2O3,,,,,,ZRPSDVVHVWUPEC-OUKQBFOZSA-N,,,,,,,,,,,
100.093.985,303-429-4,94199-56-1,N-(o-anisyl)-3-hydroxy-4-[[4-(phenylazo)phenyl]azo]naphthalene-2-carboxamide,3-hydroxy-N-(2-methoxybenzyl)-4-{[4-(phenyldiazenyl)phenyl]diazenyl}-2-naphthamide,COc5ccccc5CNC(=O)c4cc1ccccc1c(N=Nc3ccc(N=Nc2ccccc2)cc3)c4O,COc5ccccc5CNC(=O)c4cc1ccccc1c(N=Nc3ccc(N=Nc2ccccc2)cc3)c4O,"InChI=1/C31H25N5O3/c1-39-28-14-8-6-10-22(28)20-32-31(38)27-19-21-9-5-7-13-26(21)29(30(27)37)36-35-25-17-15-24(16-18-25)34-33-23-11-3-2-4-12-23/h2-19,37H,20H2,1H3,(H,32,38)",C30H23N5O3,,,,,,MFQXQTKHNMBPCX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.988,303-433-6,94199-59-4,"Methyl 2-[(2,6,10-trimethyl-9-undecenylidene)amino]benzoate","methyl 2-[(2,6,10-trimethylundec-9-en-1-ylidene)amino]benzoate",COC(=O)c1ccccc1N=CC(C)CCCC(C)CC\\C=C(/C)C,COC(=O)c1ccccc1N=CC(C)CCCC(C)CC\C=C(/C)C,"InChI=1/C22H33NO2/c1-17(2)10-8-11-18(3)12-9-13-19(4)16-23-21-15-7-6-14-20(21)22(24)25-5/h6-7,10,14-16,18-19H,8-9,11-13H2,1-5H3",C22H33NO2,,,,,,LLKNNLDMKUTUKR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.994,303-439-9,94199-66-3,2-methyl-4-oxo-4H-pyran-3-yl 2-methyl-pent-2-en-1-oate,2-methyl-4-oxo-4H-pyran-3-yl 2-methylpent-2-enoate,O=C1/C=C\\OC(\\C)=C1\\OC(=O)C(C)=CCC,O=C1/C=C\OC(\C)=C1\OC(=O)C(C)=CCC,"InChI=1/C12H14O4/c1-4-5-8(2)12(14)16-11-9(3)15-7-6-10(11)13/h5-7H,4H2,1-3H3",C12H14O4,,,,,,JDOPMTLEFYDNNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.995,303-440-4,94199-67-4,2-methyl-1-(5-methyl-2-thienyl)propan-1-one,2-methyl-1-(5-methyl-2-thienyl)propan-1-one,CC(C)C(=O)c1ccc(C)s1,CC(C)C(=O)c1ccc(C)s1,"InChI=1/C9H12OS/c1-6(2)9(10)8-5-4-7(3)11-8/h4-6H,1-3H3",C9H12OS,,,,,,PFTMEBUEMCUIKK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.125,303-584-8,94201-03-3,5-(4-methylphenyl)heptanal,5-(4-methylphenyl)heptanal,CCC(CCCC=O)c1ccc(C)cc1,CCC(CCCC=O)c1ccc(C)cc1,"InChI=1/C14H20O/c1-3-13(6-4-5-11-15)14-9-7-12(2)8-10-14/h7-11,13H,3-6H2,1-2H3",C14H20O,,,,,,ZLJBIAXKACXRHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.126,303-585-3,94201-04-4,"4-(1,3-dimethyl-1,3-butadienyl)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene","4-(1,3-dimethylbuta-1,3-dien-1-yl)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene",CC2(C)C1/C=C(/C)C(CC12)C(C)=CC(C)=C,CC2(C)C1/C=C(/C)C(CC12)C(C)=CC(C)=C,"InChI=1/C16H24/c1-10(2)7-11(3)13-9-15-14(8-12(13)4)16(15,5)6/h7-8,13-15H,1,9H2,2-6H3",C16H24,,,,,,IPOZECBFFCTICQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.129,303-589-5,94201-07-7,5-(4-isopropyl-1-cyclohexen-1-yl)pent-4-enal,5-(4-isopropylcyclohex-1-en-1-yl)pent-4-enal,CC(C)C1C\\C=C(\\C=CCCC=O)CC1,CC(C)C1C\C=C(\C=CCCC=O)CC1,"InChI=1/C14H22O/c1-12(2)14-9-7-13(8-10-14)6-4-3-5-11-15/h4,6-7,11-12,14H,3,5,8-10H2,1-2H3",C14H22O,,,,,,LAULSHVBQKQWBA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.130,303-590-0,94201-08-8,Dihydro-5-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan-2(3H)-one,5-[(4-isopropylcyclohex-1-en-1-yl)methyl]dihydrofuran-2(3H)-one,CC(C)C1CCC(=CC1)CC2CCC(=O)O2,CC(C)C1CCC(=CC1)CC2CCC(=O)O2,"InChI=1/C14H22O2/c1-10(2)12-5-3-11(4-6-12)9-13-7-8-14(15)16-13/h3,10,12-13H,4-9H2,1-2H3",C14H22O2,,,,,,WBQWMDBLUQLXSV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.132,303-592-1,94201-10-2,"a,3,3-trimethylbicyclo[2.2.1]heptane-2-propionaldehyde","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-methylpropanal",CC(CC1C2CCC(C2)C1(C)C)C=O,CC(CC1C2CCC(C2)C1(C)C)C=O,"InChI=1/C13H22O/c1-9(8-14)6-12-10-4-5-11(7-10)13(12,2)3/h8-12H,4-7H2,1-3H3",C13H22O,,,,,,ODBLXJITPPQEKN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.137,303-597-9,94201-15-7,"1,1-dimethyl-2-phenylethyl 3-methyl-2-butenoate","1,1-dimethyl-2-phenylethyl 3-methylbut-2-enoate",CC(=CC(=O)OC(C)(C)Cc1ccccc1)C,CC(=CC(=O)OC(C)(C)Cc1ccccc1)C,"InChI=1/C15H20O2/c1-12(2)10-14(16)17-15(3,4)11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3",C15H20O2,,,,,,KHVDLHLSFANNEL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.139,303-600-3,94201-17-9,"1,2,3,4,6,7,8,8a-octahydro-a,a,8,8a-tetramethylnaphthalene-2-methanol","2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol",CC1CCC=C2CCC(CC12C)C(C)(C)O,CC1CCC=C2CCC(CC12C)C(C)(C)O,"InChI=1/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3",C15H26O,,,,,,MQWIFDHBNGIVPO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.140,303-601-9,94201-18-0,"3-(2-methoxyethylidene)-1,1,5-trimethylcyclohexane","3-(2-methoxyethylidene)-1,1,5-trimethylcyclohexane",CC1(C)CC(C)CC(=CCOC)C1,CC1(C)CC(C)CC(=CCOC)C1,"InChI=1/C12H22O/c1-10-7-11(5-6-13-4)9-12(2,3)8-10/h5,10H,6-9H2,1-4H3",C12H22O,,,,,,UWIFFJDQTKPKGO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.141,303-602-4,94201-19-1,8-methyl-1-oxaspiro[4.5]decan-2-one,8-methyl-1-oxaspiro[4.5]decan-2-one,CC1CCC2(CC1)CCC(=O)O2,CC1CCC2(CC1)CCC(=O)O2,"InChI=1/C10H16O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h8H,2-7H2,1H3",C10H16O2,,,,,,COWIMPXRUUJKQF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.147,303-609-2,94201-25-9,Methyl 2-[(2-methyldecyl)amino]benzoate,methyl 2-[(2-methyldecyl)amino]benzoate,CCCCCCCCC(C)CNc1ccccc1C(=O)OC,CCCCCCCCC(C)CNc1ccccc1C(=O)OC,"InChI=1/C19H31NO2/c1-4-5-6-7-8-9-12-16(2)15-20-18-14-11-10-13-17(18)19(21)22-3/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3",C19H31NO2,,,,,,DVEFEVWZTSDZQP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.150,303-612-9,94201-28-2,1-(3-methylbicyclo[2.2.1]hept-2-yl)propyl acetate,1-(3-methylbicyclo[2.2.1]hept-2-yl)propyl acetate,CCC(OC(=O)C)C1C(C)C2CCC1C2,CCC(OC(=O)C)C1C(C)C2CCC1C2,"InChI=1/C13H22O2/c1-4-12(15-9(3)14)13-8(2)10-5-6-11(13)7-10/h8,10-13H,4-7H2,1-3H3",C13H22O2,,,,,,WKQOGCONCLCIOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.746,303-167-0,94158-93-7,N-[3-[(3-aminopropyl)(1-oxooctadecyl)amino]propyl]aminoacetate sodium monoacetate,-,[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCNCC(=O)[O-].CC(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCNCC(=O)[O-].CC(=O)[O-],"InChI=1/C26H53N3O3.C2H4O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(30)29(22-17-20-27)23-18-21-28-24-26(31)32;1-2(3)4;/h28H,2-24,27H2,1H3,(H,31,32);1H3,(H,3,4);/q;;+1/p-2",C26H53N3O3.C2H4O2.Na,,,,,,IHUALAMPAJHSFJ-UHFFFAOYSA-L,,,,,,,,,,,
100.093.512,302-910-6,94135-40-7,"Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11ß,16ß)-","sodium 3-{[(9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@@]5(O)[C@@H](C)C[C@@H]2[C@]5(C)C[C@H](O)[C@]3(F)[C@@]4(C)/C=C\\C(=O)/C=C4/CC[C@@H]23,[Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@@]5(O)[C@@H](C)C[C@@H]2[C@]5(C)C[C@H](O)[C@]3(F)[C@@]4(C)/C=C\C(=O)/C=C4/CC[C@@H]23,"InChI=1/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1",C29H33FO9S.Na,,,,,,RPBJOYICBFNIMN-ISTQVZLFSA-M,,,,,,,,,,,
100.093.521,302-920-0,94135-51-0,"5-(2,6-dimethylheptyl)dihydrofuran-2(3H)-one","5-(2,6-dimethylheptyl)dihydrofuran-2(3H)-one",CC(C)CCCC(C)CC1CCC(=O)O1,CC(C)CCCC(C)CC1CCC(=O)O1,"InChI=1/C13H24O2/c1-10(2)5-4-6-11(3)9-12-7-8-13(14)15-12/h10-12H,4-9H2,1-3H3",C13H24O2,,,,,,BTTSJYDTMZIVIN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.536,302-936-8,94135-66-7,"Dodecanedioic acid, sodium salt, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine","sodium 11-carboxyundecanoate - N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine (1:1)",[Na+].NCCNCCNCCNCCN.OC(=O)CCCCCCCCCCC(=O)[O-],[Na+].NCCNCCNCCNCCN.OC(=O)CCCCCCCCCCC(=O)[O-],"InChI=1/C12H22O4.C8H23N5.Na/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;9-1-3-11-5-7-13-8-6-12-4-2-10;/h1-10H2,(H,13,14)(H,15,16);11-13H,1-10H2;/q;;+1/p-1",C12H22O4.xC8H23N5.xNa,,,,,,XNUXQQZRCWWKSU-UHFFFAOYSA-M,,,,,,,,,,,
100.093.540,302-941-5,94135-70-3,6-bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate,6-bromo-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-methylbenzo[cd]indolium 2-hydroxypropanoate,CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Br)c4cccc2c34.CC(O)C(=O)[O-],CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Br)c4cccc2c34.CC(O)C(=O)[O-],"InChI=1/C22H22BrN2O.C3H6O3/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(4)3(5)6/h4-12,26H,3,13-14H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;/p-1",C22H22BrN2O.C3H5O3,,,,,,LRETUHAXTFGNSV-UHFFFAOYSA-M,,,,,,,,,,,
100.093.542,302-943-6,94135-72-5,1-methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate,1-methyl-1-(4-methylcyclohex-2-en-1-yl)ethyl 2-methylpropanoate,CC(C)C(=O)OC(C)(C)C1CCC(C)C=C1,CC(C)C(=O)OC(C)(C)C1CCC(C)C=C1,"InChI=1/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,8,10-12H,7,9H2,1-5H3",C14H24O2,,,,,,URCBVDFQDTZIBF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.544,302-945-7,94135-74-7,2-(2-thienyl)ethyl 2-methylbutyrate,2-(2-thienyl)ethyl 2-methylbutanoate,CCC(C)C(=O)OCCc1cccs1,CCC(C)C(=O)OCCc1cccs1,"InChI=1/C11H16O2S/c1-3-9(2)11(12)13-7-6-10-5-4-8-14-10/h4-5,8-9H,3,6-7H2,1-2H3",C11H16O2S,,,,,,XSDPFNMJFNZEIN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.557,302-959-3,94135-88-3,Disodium [[[4-[(sulphonatomethyl)amino]phenyl]sulphonyl]amino]methanesulphonate,disodium [({4-[(sulfonatomethyl)amino]phenyl}sulfonyl)amino]methanesulfonate,[Na+].[Na+].[O-]S(=O)(=O)CNc1ccc(cc1)S(=O)(=O)NCS(=O)(=O)[O-],[Na+].[Na+].[O-]S(=O)(=O)CNc1ccc(cc1)S(=O)(=O)NCS(=O)(=O)[O-],"InChI=1/C8H12N2O8S3.2Na/c11-19(12,13)5-9-7-1-3-8(4-2-7)21(17,18)10-6-20(14,15)16;;/h1-4,9-10H,5-6H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2",C8H12N2O8S3.2Na,,,,,,OTGATJDRBGEMQH-UHFFFAOYSA-L,,,,,,,,,,,
100.093.558,302-960-9,94135-89-4,"4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one, compound with 2-(diethylamino)ethanol (1:1)",4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one - 2-(diethylamino)ethanol (1:1),CCN(CC)CCO.CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,CCN(CC)CCO.CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,"InChI=1/C19H16O4.C6H15NO/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;1-3-7(4-2)5-6-8/h2-10,15,21H,11H2,1H3;8H,3-6H2,1-2H3",C19H16O4.C6H15NO,,,,,,HTEAUBWQNCREDM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.559,302-961-4,94135-90-7,"1-(3-bromopropyl)-2,5-dimethylpyrrolidinium bromide","1-(3-bromopropyl)-2,5-dimethylpyrrolidinium bromide",[Br-].CC1CCC(C)[NH+]1CCCBr,[Br-].CC1CCC(C)[NH+]1CCCBr,"InChI=1/C9H18BrN.BrH/c1-8-4-5-9(2)11(8)7-3-6-10;/h8-9H,3-7H2,1-2H3;1H",C9H18BrN.BrH,,,,,,VBJPHSXINZTGAA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.561,302-964-0,94135-92-9,3-[p-(hexyloxy)phenyl]propionic anhydride,3-[4-(hexyloxy)phenyl]propanoic anhydride,CCCCCCOc1ccc(CCC(=O)OC(=O)CCc2ccc(OCCCCCC)cc2)cc1,CCCCCCOc1ccc(CCC(=O)OC(=O)CCc2ccc(OCCCCCC)cc2)cc1,"InChI=1/C30H42O5/c1-3-5-7-9-23-33-27-17-11-25(12-18-27)15-21-29(31)35-30(32)22-16-26-13-19-28(20-14-26)34-24-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-24H2,1-2H3",C30H42O5,,,,,,KTQVDAHKSPSSLP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.571,302-975-0,94136-02-4,"4,5-dichloro-N-ethylbenzene-1,4-diamine hydrochloride","1,2-dichloro-N~4~-ethylcyclohexa-2,5-diene-1,4-diamine hydrochloride",Cl.CCNC1C=CC(N)(Cl)C(=C1)Cl,Cl.CCNC1C=CC(N)(Cl)C(=C1)Cl,"InChI=1/C8H12Cl2N2.ClH/c1-2-12-6-3-4-8(10,11)7(9)5-6;/h3-6,12H,2,11H2,1H3;1H",C8H10Cl2N2.ClH,,,,,,DMPIIRZTWJXSSA-UHFFFAOYSA-N,,,,,,,,,,,
100.096.402,306-093-7,96097-14-2,Ammonium 2-(nonylphenoxy)ethyl sulphate,ammonium 2-(2-nonylphenoxy)ethyl sulfate,[NH4+].CCCCCCCCCc1ccccc1OCCOS(=O)(=O)[O-],[NH4+].CCCCCCCCCc1ccccc1OCCOS(=O)(=O)[O-],"InChI=1/C17H28O5S.H3N/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)21-14-15-22-23(18,19)20;/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,18,19,20);1H3",C17H28O5S.H3N,,,,,,QNYKCQMJRGWFMX-UHFFFAOYSA-N,,,,,,,,,,,
100.096.407,306-098-4,96097-19-7,"(1a,2ß,5a)-5-methyl-2-(1-methylethyl)cyclohexyl palmitate",2-isopropyl-5-methylcyclohexyl palmitate,CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,"InChI=1/C26H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-25-21-23(4)19-20-24(25)22(2)3/h22-25H,5-21H2,1-4H3",C26H50O2,,,,,,VGLJQMIPINKCBI-GVAUOCQISA-N,,,,,,,,,,,
100.096.410,306-102-4,96152-32-8,Sodium 4-[2-(2-hydroxyethoxy)ethyl] 2-dodecenylsuccinate,sodium 2-{2-[2-(2-hydroxyethoxy)ethoxy]-2-oxoethyl}tetradec-4-enoate,[Na+].OCCOCCOC(=O)CC(CC=CCCCCCCCCC)C([O-])=O,[Na+].OCCOCCOC(=O)CC(CC=CCCCCCCCCC)C([O-])=O,"InChI=1/C20H36O6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18(20(23)24)17-19(22)26-16-15-25-14-13-21;/h10-11,18,21H,2-9,12-17H2,1H3,(H,23,24);/q;+1/p-1",C20H36O6.Na,,,,,,ZMCXYXSAVYLOQY-UHFFFAOYSA-M,,,,,,,,,,,
100.096.448,306-144-3,96446-17-2,"Heptyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate","heptyl octadeca-9,12,15-trienoate",CCCCCCCOC(=O)CCCCCCC\\C=C/C\\C=C/C\\C=C/CC,CCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,"InChI=1/C25H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)27-24-22-20-8-6-4-2/h5,7,10-11,13-14H,3-4,6,8-9,12,15-24H2,1-2H3",C25H44O2,,,,,,CZTWVENJLWKPDK-LNCSVHMCSA-N,,,,,,,,,,,
100.096.455,306-152-7,96507-74-3,"3-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate","3-{[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]amino}-2-hydroxypropyl 2-methyl-2-nonylundecanoate",CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNC1CC(C)(C)CC(C)(CN)C1,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNC1CC(C)(C)CC(C)(CN)C1,"InChI=1/C34H68N2O3/c1-7-9-11-13-15-17-19-21-34(6,22-20-18-16-14-12-10-8-2)31(38)39-26-30(37)25-36-29-23-32(3,4)27-33(5,24-29)28-35/h29-30,36-37H,7-28,35H2,1-6H3",C34H68N2O3,,,,,,OYOPDZOHRMVDMG-UHFFFAOYSA-N,,,,,,,,,,,
100.097.577,307-386-2,97635-25-1,"3,4-dihydro-5-methyl-6-pentyl-2H-pyran-2-one","5-methyl-6-pentyl-3,4-dihydro-2H-pyran-2-one",CCCCCC1=C(C)CCC(=O)O1,CCCCCC1=C(C)CCC(=O)O1,"InChI=1/C11H18O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h3-8H2,1-2H3",C11H18O2,,,,,,XMCPKADSAMTJOG-UHFFFAOYSA-N,,,,,,,,,,,
100.097.578,307-387-8,97635-26-2,"Decahydro-4b,6,6-trimethyl-8H-benzo[3,4]cyclobuta[1,2-b]pyran-8-one","4b,6,6-trimethyldecahydro-8H-benzo[3,4]cyclobuta[1,2-b]pyran-8-one",CC1(C)CC(=O)C2C3OCCCC3C2(C)C1,CC1(C)CC(=O)C2C3OCCCC3C2(C)C1,"InChI=1/C14H22O2/c1-13(2)7-10(15)11-12-9(5-4-6-16-12)14(11,3)8-13/h9,11-12H,4-8H2,1-3H3",C14H22O2,,,,,,NSKPIVOZPLDHHW-UHFFFAOYSA-N,,,,,,,,,,,
100.097.590,307-400-7,97635-40-0,"6-amino-2,3-dihydro-5-nitroso-2-thioxopyrimidin-4(1H)-one, ammonium salt",-,[NH4+].NC1=C(N=O)C(=O)NC(=S)N1,[NH4+].NC1=C(N=O)C(=O)NC(=S)N1,"InChI=1/C4H4N4O2S.H3N/c5-2-1(8-10)3(9)7-4(11)6-2;/h(H4,5,6,7,9,11);1H3/p+1",C4H4N4O2S.xH3N,,,,,,CABNQNSAWNPRJB-UHFFFAOYSA-O,,,,,,,,,,,
100.097.599,307-410-1,97635-49-9,1-[2-(dimethylamino)ethyl]-1-phenylindan-7-ol,3-[2-(dimethylamino)ethyl]-3-phenylindan-4-ol,CN(C)CCC1(CCc2cccc(O)c12)c3ccccc3,CN(C)CCC1(CCc2cccc(O)c12)c3ccccc3,"InChI=1/C19H23NO/c1-20(2)14-13-19(16-8-4-3-5-9-16)12-11-15-7-6-10-17(21)18(15)19/h3-10,21H,11-14H2,1-2H3",C19H21NO,,,,,,GVHLOYFXYLRLDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.099.354,309-361-1,100231-61-6,"Bis[1-(isopropyl)-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] succinate","bis[3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl] succinate",CC(C)C(OC(=O)CCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,CC(C)C(OC(=O)CCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,"InChI=1/C28H50O8/c1-17(2)23(27(9,10)15-33-25(31)19(5)6)35-21(29)13-14-22(30)36-24(18(3)4)28(11,12)16-34-26(32)20(7)8/h17-20,23-24H,13-16H2,1-12H3",C28H50O8,,,,,,YSMQUFSPEWTPTR-UHFFFAOYSA-N,,,,,,,,,,,
100.096.494,306-195-1,96591-13-8,N-[[[1-oxo-3-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propyl]amino]methyl]acrylamide,N-[(acryloylamino)methyl]-N~3~-[2-(2-oxoimidazolidin-1-yl)ethyl]-beta-alaninamide,C=CC(=O)NCNC(=O)CCNCCN1CCNC1=O,C=CC(=O)NCNC(=O)CCNCCN1CCNC1=O,"InChI=1/C12H21N5O3/c1-2-10(18)15-9-16-11(19)3-4-13-5-7-17-8-6-14-12(17)20/h2,13H,1,3-9H2,(H,14,20)(H,15,18)(H,16,19)",C12H21N5O3,,,,,,AZVSESGSBWESMH-UHFFFAOYSA-N,,,,,,,,,,,
100.096.495,306-196-7,96591-14-9,2-hydroxytetradecyl methacrylate,2-hydroxytetradecyl methacrylate,CCCCCCCCCCCCC(O)COC(=O)C(=C)C,CCCCCCCCCCCCC(O)COC(=O)C(=C)C,"InChI=1/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)15-21-18(20)16(2)3/h17,19H,2,4-15H2,1,3H3",C18H34O3,,,,,,RLWDMMUWHLHTBF-UHFFFAOYSA-N,,,,,,,,,,,
100.096.497,306-198-8,96619-86-2,Methyl 3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carboxylate,methyl 3-methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carboxylate,COC(=O)C1OC1(C)CCC=C(C)C,COC(=O)C1OC1(C)CCC=C(C)C,"InChI=1/C11H18O3/c1-8(2)6-5-7-11(3)9(14-11)10(12)13-4/h6,9H,5,7H2,1-4H3",C11H18O3,,,,,,XMILIFWSJFWFFU-UHFFFAOYSA-N,,,,,,,,,,,
100.096.498,306-199-3,96619-87-3,2-methoxy-1-methyl-2-oxoethyl butyrate,2-methoxy-1-methyl-2-oxoethyl butyrate,CCCC(=O)OC(C)C(=O)OC,CCCC(=O)OC(C)C(=O)OC,"InChI=1/C8H14O4/c1-4-5-7(9)12-6(2)8(10)11-3/h6H,4-5H2,1-3H3",C8H14O4,,,,,,YKJAHVZTCFGXAH-UHFFFAOYSA-N,,,,,,,,,,,
100.081.205,289-357-3,87891-59-6,2-ethylhexyl docosanoate,2-ethylhexyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,"InChI=1/C30H60O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(31)32-28-29(6-3)26-8-5-2/h29H,4-28H2,1-3H3",C30H60O2,,,,,,QOQFINCLYXSMAH-UHFFFAOYSA-N,,,,,,,,,,,
100.084.208,292-662-4,90677-59-1,"Trisodium 2-[[4-chloro-6-morpholino-1,3,5-triazin-2-yl]amino]-5-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonate","trisodium 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-{[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1,4-disulfonate",[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N5/N=C(/C)C(N=Nc2cc(c(cc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)N4CCOCC4)S([O-])(=O)=O)C5=O,[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N5/N=C(/C)C(N=Nc2cc(c(cc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)N4CCOCC4)S([O-])(=O)=O)C5=O,"InChI=1/C23H21Cl2N9O11S3.3Na/c1-11-19(20(35)34(32-11)16-8-12(46(36,37)38)2-3-13(16)24)31-30-15-10-17(47(39,40)41)14(9-18(15)48(42,43)44)26-22-27-21(25)28-23(29-22)33-4-6-45-7-5-33;;;/h2-3,8-10,19H,4-7H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,26,27,28,29);;;/q;3*+1/p-3",C23H21Cl2N9O11S3.3Na,,,,,,PBOWVOYEXQZQSO-UHFFFAOYSA-K,,,,,,,,,,,
100.084.210,292-665-0,90677-62-6,"Sodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulphonate","sodium 2-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-4-[(2,3-dibromopropanoyl)amino]benzenesulfonate",[Na+].O=C2/C(=C(/C)\\C(\\N=Nc1cc(NC(=O)C(Br)CBr)ccc1S([O-])(=O)=O)=C(\\O)N2CC)C(N)=O,[Na+].O=C2/C(=C(/C)\C(\N=Nc1cc(NC(=O)C(Br)CBr)ccc1S([O-])(=O)=O)=C(\O)N2CC)C(N)=O,"InChI=1/C18H19Br2N5O7S.Na/c1-3-25-17(28)13(15(21)26)8(2)14(18(25)29)24-23-11-6-9(22-16(27)10(20)7-19)4-5-12(11)33(30,31)32;/h4-6,10,29H,3,7H2,1-2H3,(H2,21,26)(H,22,27)(H,30,31,32);/q;+1/p-1",C18H19Br2N5O7S.Na,,,,,,KOUXKVGSBDUBMI-UHFFFAOYSA-M,,,,,,,,,,,
100.084.221,292-677-6,90724-44-0,3-methoxypyridinium chloride,3-methoxypyridinium chloride,[Cl-].COc1ccc[nH+]c1,[Cl-].COc1ccc[nH+]c1,"InChI=1/C6H7NO.ClH/c1-8-6-3-2-4-7-5-6;/h2-5H,1H3;1H",C6H7NO.ClH,,,,,,HIADZSOBMPSUGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.084.225,292-681-8,90847-51-1,"4-aminobutane-1,2,3-triol","4-aminobutane-1,2,3-triol",NCC(O)C(O)CO,NCC(O)C(O)CO,"InChI=1/C4H11NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,1-2,5H2",C4H11NO3,,,,,,WIFPJDJJFUSIFP-UHFFFAOYSA-N,,,,,,,,,,,
100.079.455,287-430-4,85508-07-2,"Ethyl methyl pent-2-ene-1,5-dioate",1-ethyl 5-methyl pent-2-enedioate,CCOC(=O)C=CCC(=O)OC,CCOC(=O)C=CCC(=O)OC,"InChI=1/C8H12O4/c1-3-12-8(10)6-4-5-7(9)11-2/h4,6H,3,5H2,1-2H3",C9H14O4,,,,,,UMHKSLGKWWMVKB-UHFFFAOYSA-N,,,,,,,,,,,
100.079.457,287-433-0,85508-09-4,1-methyl-2-oxopropyl isobutyrate,1-methyl-2-oxopropyl 2-methylpropanoate,CC(C)C(=O)OC(C)C(=O)C,CC(C)C(=O)OC(C)C(=O)C,"InChI=1/C8H14O3/c1-5(2)8(10)11-7(4)6(3)9/h5,7H,1-4H3",C8H14O3,,,,,,GHZUTKPCCBPMOD-UHFFFAOYSA-N,,,,,,,,,,,
100.079.461,287-437-2,85508-13-0,Bis(2-aminoethyl) octyl phosphate,bis(2-aminoethyl) octyl phosphate,NCCOP(=O)(OCCN)OCCCCCCCC,NCCOP(=O)(OCCN)OCCCCCCCC,"InChI=1/C12H29N2O4P/c1-2-3-4-5-6-7-10-16-19(15,17-11-8-13)18-12-9-14/h2-14H2,1H3",C12H29N2O4P,,,,,,HZNODAMWRWZWQI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.462,287-438-8,85508-14-1,Bis(2-aminoethyl) decyl phosphate,bis(2-aminoethyl) decyl phosphate,NCCOP(=O)(OCCN)OCCCCCCCCCC,NCCOP(=O)(OCCN)OCCCCCCCCCC,"InChI=1/C14H33N2O4P/c1-2-3-4-5-6-7-8-9-12-18-21(17,19-13-10-15)20-14-11-16/h2-16H2,1H3",C14H33N2O4P,,,,,,DCLDCRBASITBMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.470,287-447-7,85508-22-1,"3-hydroxy-2,2-dimethylhexyl isobutyrate","3-hydroxy-2,2-dimethylhexyl 2-methylpropanoate",CCCC(O)C(C)(C)COC(=O)C(C)C,CCCC(O)C(C)(C)COC(=O)C(C)C,"InChI=1/C12H24O3/c1-6-7-10(13)12(4,5)8-15-11(14)9(2)3/h9-10,13H,6-8H2,1-5H3",C12H24O3,,,,,,SXOJZWDUTDGRBI-UHFFFAOYSA-N,,,,,,,,,,,
100.081.222,289-376-7,88122-17-2,"1-(2,6-dichlorobenzoyl)-2-phenyl-1H-imidazole","1-(2,6-dichlorobenzoyl)-2-phenyl-1H-imidazole",Clc1cccc(Cl)c1C(=O)n2ccnc2c3ccccc3,Clc1cccc(Cl)c1C(=O)n2ccnc2c3ccccc3,InChI=1/C16H10Cl2N2O/c17-12-7-4-8-13(18)14(12)16(21)20-10-9-19-15(20)11-5-2-1-3-6-11/h1-10H,C16H10Cl2N2O,,,,,,JGUXXFPMOABQHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.081.230,289-385-6,88124-26-9,"N-(6,11-dihydro-5-methyl-6,11-dioxo-5H-dibenz[b,e]azepin-10-yl)acetamide","N-(5-methyl-6,11-dioxo-6,11-dihydro-5H-dibenzo[b,e]azepin-10-yl)acetamide",CN1C(=O)c2cccc(NC(=O)C)c2C(=O)c3ccccc13,CN1C(=O)c2cccc(NC(=O)C)c2C(=O)c3ccccc13,"InChI=1/C17H14N2O3/c1-10(20)18-13-8-5-7-12-15(13)16(21)11-6-3-4-9-14(11)19(2)17(12)22/h3-9H,1-2H3,(H,18,20)",C17H14N2O3,,,,,,KLSKLNWJEDXFSD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.154,303-617-6,94201-32-8,"1-(1,2,3,4,5,6,7,8-octahydro-3,3,8,8-tetramethyl-2-naphthyl)ethan-1-one","1-(3,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone",CC(=O)C1CC2=C(CCCC2(C)C)CC1(C)C,CC(=O)C1CC2=C(CCCC2(C)C)CC1(C)C,"InChI=1/C16H26O/c1-11(17)13-9-14-12(10-16(13,4)5)7-6-8-15(14,2)3/h13H,6-10H2,1-5H3",C16H26O,,,,,,SDEONVHJAQRLCH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.155,303-618-1,94201-33-9,"Ethyl 3-[3,5-bis(1-methylethyl)phenyl]acrylate","ethyl 3-(3,5-diisopropylphenyl)acrylate",CCOC(=O)\\C=C\\c1cc(cc(c1)C(C)C)C(C)C,CCOC(=O)\C=C\c1cc(cc(c1)C(C)C)C(C)C,"InChI=1/C17H24O2/c1-6-19-17(18)8-7-14-9-15(12(2)3)11-16(10-14)13(4)5/h7-13H,6H2,1-5H3",C17H24O2,,,,,,CCDVTESUSACXIP-BQYQJAHWSA-N,,,,,,,,,,,
100.094.164,303-628-6,94201-42-0,D-glucitol 1-(bromoacetate),1-O-(bromoacetyl)-D-glucitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CBr,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CBr,"InChI=1/C8H15BrO7/c9-1-6(13)16-3-5(12)8(15)7(14)4(11)2-10/h4-5,7-8,10-12,14-15H,1-3H2",C8H15BrO7,,,,,,AAXYNEPPTOVSSR-IXROVEORSA-N,,,,,,,,,,,
100.094.168,303-632-8,94201-46-4,Mercaptomethyl methacrylate,sulfanylmethyl methacrylate,CC(=C)C(=O)OCS,CC(=C)C(=O)OCS,"InChI=1/C5H8O2S/c1-4(2)5(6)7-3-8/h8H,1,3H2,2H3",C5H8O2S,,,,,,AZADLAPXFZPRFJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.182,303-648-5,94201-60-2,"2,2-bis(hydroxymethyl)butyl docosanoate","2,2-bis(hydroxymethyl)butyl docosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO,"InChI=1/C28H56O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(31)32-26-28(4-2,24-29)25-30/h29-30H,3-26H2,1-2H3",C28H56O4,,,,,,YCUULKHNJZXLCO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.186,303-652-7,94201-64-6,Tetrahydrofurfuryl docosanoate,tetrahydrofuran-2-ylmethyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1CCCO1,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1CCCO1,"InChI=1/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(28)30-25-26-22-21-24-29-26/h26H,2-25H2,1H3",C27H52O3,,,,,,SSUIWAUQJQTACD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.192,303-659-5,94201-70-4,"5,7,10-trimethylundec-9-ene-4,6-dione","5,7,10-trimethylundec-9-ene-4,6-dione",CCCC(=O)C(C)C(=O)C(C)CC=C(C)C,CCCC(=O)C(C)C(=O)C(C)CC=C(C)C,"InChI=1/C14H24O2/c1-6-7-13(15)12(5)14(16)11(4)9-8-10(2)3/h8,11-12H,6-7,9H2,1-5H3",C14H24O2,,,,,,CFGSDQZJQUFHTO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.193,303-660-0,94201-71-5,"2,6,10-trimethylundeca-1,9-dien-4-yl acetate","3,7-dimethyl-1-(2-methylprop-2-en-1-yl)oct-6-en-1-yl acetate",CC(CCC=C(C)C)CC(CC(=C)C)OC(=O)C,CC(CCC=C(C)C)CC(CC(=C)C)OC(=O)C,"InChI=1/C16H28O2/c1-12(2)8-7-9-14(5)11-16(10-13(3)4)18-15(6)17/h8,14,16H,3,7,9-11H2,1-2,4-6H3",C16H28O2,,,,,,CORWEQVTDUHIDS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.206,303-674-7,94201-84-0,"1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)phenyl]urea","1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)phenyl]urea",CN(C)c1ccccc1NC(=O)Nc2ccc(Cl)c(Cl)c2,CN(C)c1ccccc1NC(=O)Nc2ccc(Cl)c(Cl)c2,"InChI=1/C15H15Cl2N3O/c1-20(2)14-6-4-3-5-13(14)19-15(21)18-10-7-8-11(16)12(17)9-10/h3-9H,1-2H3,(H2,18,19,21)",C15H15Cl2N3O,,,,,,SYJFCLOLWNACOW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.207,303-675-2,94201-85-1,"1-(3,4-dichlorophenyl)-3-[3-(dimethylamino)phenyl]urea","1-(3,4-dichlorophenyl)-3-[3-(dimethylamino)phenyl]urea",CN(C)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1,CN(C)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1,"InChI=1/C15H15Cl2N3O/c1-20(2)12-5-3-4-10(8-12)18-15(21)19-11-6-7-13(16)14(17)9-11/h3-9H,1-2H3,(H2,18,19,21)",C15H15Cl2N3O,,,,,,UVOLZUXECMMTLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.208,303-676-8,94201-86-2,1-(2-chloro-p-tolyl)-3-[4-(dimethylamino)phenyl]urea,1-(2-chloro-4-methylphenyl)-3-[4-(dimethylamino)phenyl]urea,CN(C)c1ccc(NC(=O)Nc2ccc(C)cc2Cl)cc1,CN(C)c1ccc(NC(=O)Nc2ccc(C)cc2Cl)cc1,"InChI=1/C16H18ClN3O/c1-11-4-9-15(14(17)10-11)19-16(21)18-12-5-7-13(8-6-12)20(2)3/h4-10H,1-3H3,(H2,18,19,21)",C16H18ClN3O,,,,,,BHCYFWQGBSVKLP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.209,303-677-3,94201-87-3,5-(methylthio)-1-(p-nitrophenyl)-1H-tetrazole,5-(methylsulfanyl)-1-(4-nitrophenyl)-1H-tetrazole,CSc1nnnn1c2ccc(cc2)[N+](=O)[O-],CSc1nnnn1c2ccc(cc2)[N+](=O)[O-],"InChI=1/C8H7N5O2S/c1-16-8-9-10-11-12(8)6-2-4-7(5-3-6)13(14)15/h2-5H,1H3",C8H7N5O2S,,,,,,WEHOPKPODBIPGD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.217,303-686-2,94201-95-3,"2,6-dibromo-4-cyanophenyl 4-chlorophenylcarbamate","2,6-dibromo-4-cyanophenyl (4-chlorophenyl)carbamate",Clc1ccc(NC(=O)Oc2c(Br)cc(cc2Br)C#N)cc1,Clc1ccc(NC(=O)Oc2c(Br)cc(cc2Br)C#N)cc1,"InChI=1/C14H7Br2ClN2O2/c15-11-5-8(7-18)6-12(16)13(11)21-14(20)19-10-3-1-9(17)2-4-10/h1-6H,(H,19,20)",C14H7Br2ClN2O2,,,,,,MWGZEZROFNLUBT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.232,303-702-8,94202-10-5,Tetraammonium [(dodecylimino)bis(methylene)]bisphosphonate,tetraammonium [(dodecylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.4H3N/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);4*1H3",C14H33NO6P2.4H3N,,,,,,FJILWSMYUHVADB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.572,302-976-6,94136-03-5,4-[2-[4-(diethylamino)phenyl]vinyl]benzaldehyde 1-naphthylphenylhydrazone,"N,N-diethyl-4-(2-{4-[1-naphthyl(phenyl)carbonohydrazonoyl]phenyl}vinyl)aniline",CCN(CC)c1ccc(\\C=C\\c2ccc(\\C=N\\N(c3ccccc3)c4cccc5ccccc45)cc2)cc1,CCN(CC)c1ccc(\C=C\c2ccc(\C=N\N(c3ccccc3)c4cccc5ccccc45)cc2)cc1,"InChI=1/C35H33N3/c1-3-37(4-2)32-25-23-29(24-26-32)18-17-28-19-21-30(22-20-28)27-36-38(33-13-6-5-7-14-33)35-16-10-12-31-11-8-9-15-34(31)35/h5-27H,3-4H2,1-2H3",C35H33N3,,,,,,UMPZCRNJRNCORF-LHYPWAEKSA-N,,,,,,,,,,,
100.093.575,302-979-2,94136-06-8,"1,1'-(iminodiethane-2,1-diyl)bisimidazolidine-2,4-dione","1,1'-(iminodiethane-2,1-diyl)diimidazolidine-2,4-dione",O=C1CN(CCNCCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCNCCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C10H15N5O4/c16-7-5-14(9(18)12-7)3-1-11-2-4-15-6-8(17)13-10(15)19/h11H,1-6H2,(H,12,16,18)(H,13,17,19)",C10H15N5O4,,,,,,UIGBTEFXCZEEJA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.583,302-988-1,94138-72-4,"Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl sulphate","sodium 2-({4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethyl sulfate",[Na+].Cc1cc(Cl)c(Cl)cc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)[O-],[Na+].Cc1cc(Cl)c(Cl)cc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)[O-],"InChI=1/C18H18Cl2N2O6S2.Na/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)29(23,24)9-8-28-30(25,26)27;/h2-5,10-11H,6-9H2,1H3,(H,25,26,27);/q;+1/p-1",C18H18Cl2N2O6S2.Na,,,,,,FPGVRZFXCXXFJB-UHFFFAOYSA-M,,,,,,,,,,,
100.093.588,302-993-9,94138-79-1,2-hydroxy-3-(lactoyloxy)propyl myristate,2-hydroxy-3-(lactoyloxy)propyl myristate,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)C(C)O,CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)C(C)O,"InChI=1/C20H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(23)25-15-18(22)16-26-20(24)17(2)21/h17-18,21-22H,3-16H2,1-2H3",C20H38O6,,,,,,PXPMJHWVJIPKEP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.589,302-994-4,94138-80-4,Hexacosyl acrylate,hexacosyl acrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C29H56O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-29(30)4-2/h4H,2-3,5-28H2,1H3",C29H56O2,,,,,,GMMVDHHXYPDRJR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.594,303-000-1,94138-85-9,Tetratriacontyl acrylate,tetratriacontyl acrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C37H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-39-37(38)4-2/h4H,2-3,5-36H2,1H3",C37H72O2,,,,,,IHKUWVHBYSSFMD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.600,303-006-4,94138-91-7,"Lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate","lithium octadeca-9,12,15-trienoate",[Li+].CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(=O)[O-],[Li+].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-],"InChI=1/C18H30O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1",C18H30O2.Li,,,,,,DYWHQKKVLYASPF-IFNWOZJISA-M,,,,,,,,,,,
100.093.609,303-016-9,94139-02-3,Cyclooct-4-enyl isobutyrate,cyclooct-4-en-1-yl 2-methylpropanoate,CC(C)C(=O)OC1CCCC=CCC1,CC(C)C(=O)OC1CCCC=CCC1,"InChI=1/C12H20O2/c1-10(2)12(13)14-11-8-6-4-3-5-7-9-11/h3-4,10-11H,5-9H2,1-2H3",C12H20O2,,,,,,WDZBGDCYTPOXNK-ARJAWSKDSA-N,,,,,,,,,,,
100.093.611,303-019-5,94139-04-5,(1-bromocyclopentyl)-2-thienyl ketone,bis[3-(1-bromocyclopentyl)-2-thienyl]methanone,BrC1(CCCC1)c2ccsc2C(=O)c3sccc3C4(Br)CCCC4,BrC1(CCCC1)c2ccsc2C(=O)c3sccc3C4(Br)CCCC4,"InChI=1/C19H20Br2OS2/c20-18(7-1-2-8-18)13-5-11-23-16(13)15(22)17-14(6-12-24-17)19(21)9-3-4-10-19/h5-6,11-12H,1-4,7-10H2",C10H11BrOS,,,,,,SZIDJJBCWKRTQI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.614,303-022-1,94139-07-8,"N-[2-[(2-hydroxyethyl)amino]ethyl]-9,12,15-octadecatrienamide","N-{2-[(2-hydroxyethyl)amino]ethyl}octadeca-9,12,15-trienamide",O=C(NCCNCCO)CCCCCCCC=CCC=CCC=CCC,O=C(NCCNCCO)CCCCCCCC=CCC=CCC=CCC,"InChI=1/C22H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h3-4,6-7,9-10,23,25H,2,5,8,11-21H2,1H3,(H,24,26)",C22H40N2O2,,,,,,CILZLMIUIYKBRQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.616,303-024-2,94139-09-0,N-[2-[(2-hydroxyethyl)amino]ethyl]myristamide monoacetate,N-{2-[(2-hydroxyethyl)amino]ethyl}tetradecanamide acetate (salt),CCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O,CCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O,"InChI=1/C18H38N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20-15-14-19-16-17-21;1-2(3)4/h19,21H,2-17H2,1H3,(H,20,22);1H3,(H,3,4)",C18H38N2O2.C2H4O2,,,,,,LFCPSSNBARPFFA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.880,303-314-9,94160-31-3,"2-[2,3-bis(2-hydroxypropoxy)propoxy]-1-methylethyl acrylate","2-[2,3-bis(2-hydroxypropoxy)propoxy]-1-methylethyl acrylate",CC(O)COCC(COCC(C)OC(=O)C=C)OCC(C)O,CC(O)COCC(COCC(C)OC(=O)C=C)OCC(C)O,"InChI=1/C15H28O7/c1-5-15(18)22-13(4)8-20-10-14(21-7-12(3)17)9-19-6-11(2)16/h5,11-14,16-17H,1,6-10H2,2-4H3",C15H28O7,,,,,,MNJSNFFITSYDEC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.888,303-323-8,94160-39-1,"1-[[3-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]amino]-4-hydroxyanthraquinone","1-[(3-{[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy}phenyl)amino]-4-hydroxy-9,10-anthraquinone",CCCCN(CCCC)c1nc(F)nc(Oc2cccc(Nc3ccc(O)c4C(=O)c5ccccc5C(=O)c34)c2)n1,CCCCN(CCCC)c1nc(F)nc(Oc2cccc(Nc3ccc(O)c4C(=O)c5ccccc5C(=O)c34)c2)n1,"InChI=1/C31H30FN5O4/c1-3-5-16-37(17-6-4-2)30-34-29(32)35-31(36-30)41-20-11-9-10-19(18-20)33-23-14-15-24(38)26-25(23)27(39)21-12-7-8-13-22(21)28(26)40/h7-15,18,33,38H,3-6,16-17H2,1-2H3",C31H30FN5O4,,,,,,YVHQDKQDYITEFY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.499,306-200-7,96619-88-4,2-allyloxy-m-anisic acid,2-(allyloxy)-3-methoxybenzoic acid,COc1cccc(C(=O)O)c1OCC=C,COc1cccc(C(=O)O)c1OCC=C,"InChI=1/C11H12O4/c1-3-7-15-10-8(11(12)13)5-4-6-9(10)14-2/h3-6H,1,7H2,2H3,(H,12,13)",C11H12O4,,,,,,YOAIHTMTCQXBPI-UHFFFAOYSA-N,,,,,,,,,,,
100.097.602,307-413-8,97635-52-4,"4-(ethylamino)-N,N-dimethylbutyramide","4-(ethylamino)-N,N-dimethylbutanamide",CCNCCCC(=O)N(C)C,CCNCCCC(=O)N(C)C,"InChI=1/C8H18N2O/c1-4-9-7-5-6-8(11)10(2)3/h9H,4-7H2,1-3H3",C8H18N2O,,,,,,OOZJYBSMVRCXHM-UHFFFAOYSA-N,,,,,,,,,,,
100.097.609,307-421-1,97635-59-1,"Sodium 8-[[4-(acetylmethylamino)phenyl]amino]-9,10-dihydro-5-[(1-methylethyl)amino]-9,10-dioxoanthracene-1-sulphonate","sodium 8-({4-[acetyl(methyl)amino]phenyl}amino)-5-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracene-1-sulfonate",[Na+].CC(C)Nc1ccc(Nc2ccc(cc2)N(C)C(=O)C)c3C(=O)c4c(cccc4S(=O)(=O)[O-])C(=O)c13,[Na+].CC(C)Nc1ccc(Nc2ccc(cc2)N(C)C(=O)C)c3C(=O)c4c(cccc4S(=O)(=O)[O-])C(=O)c13,"InChI=1/C26H25N3O6S.Na/c1-14(2)27-19-12-13-20(28-16-8-10-17(11-9-16)29(4)15(3)30)24-23(19)25(31)18-6-5-7-21(36(33,34)35)22(18)26(24)32;/h5-14,27-28H,1-4H3,(H,33,34,35);/q;+1/p-1",C26H25N3O6S.Na,,,,,,CJJVBVWXLVLWPX-UHFFFAOYSA-M,,,,,,,,,,,
100.097.619,307-432-1,97659-29-5,"6-ethyl-3,5-bis(isopropyl)-6-methylcyclohexen-1-one","6-ethyl-3,5-diisopropyl-6-methylcyclohex-2-en-1-one",CCC1(C)C(CC(=CC1=O)C(C)C)C(C)C,CCC1(C)C(CC(=CC1=O)C(C)C)C(C)C,"InChI=1/C15H26O/c1-7-15(6)13(11(4)5)8-12(10(2)3)9-14(15)16/h9-11,13H,7-8H2,1-6H3",C15H26O,,,,,,HLWXMLWOEOHSJT-UHFFFAOYSA-N,,,,,,,,,,,
100.099.125,309-100-1,100018-95-9,"Choline (1a,3a,4a,5ß)-1,3-bis[3,4-dihydroxycinnamoyloxy]-4,5-dihydroxycyclohexanecarboxylate","2-hydroxy-N,N,N-trimethylethanaminium 1,3-bis{[3-(3,4-dihydroxyphenyl)acryloyl]oxy}-4,5-dihydroxycyclohexanecarboxylate",C[N+](C)(C)CCO.O[C@H]1C[C@@](C[C@H](OC(=O)\\C=C\\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\\C=C\\c3ccc(O)c(O)c3)C(=O)[O-],C[N+](C)(C)CCO.O[C@H]1C[C@@](C[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)[O-],"InChI=1/C25H24O12.C5H14NO/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14;1-6(2,3)4-5-7/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35);7H,4-5H2,1-3H3/q;+1/p-1",C25H23O12.C5H14NO,,,,,,VZXZTUWADHFXJX-BDGHEXDKSA-M,,,,,,,,,,,
100.099.133,309-109-0,100021-82-7,N-(2-aminoethyl)palmitamide phosphate,N-(2-aminoethyl)hexadecanamide phosphate,CCCCCCCCCCCCCCCC(=O)NCCN.OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)NCCN.OP(=O)(O)O,"InChI=1/C18H38N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)20-17-16-19;1-5(2,3)4/h2-17,19H2,1H3,(H,20,21);(H3,1,2,3,4)",C18H38N2O.xH3O4P,,,,,,XORGSWPUTFUITJ-UHFFFAOYSA-N,,,,,,,,,,,
100.099.134,309-110-6,100021-83-8,"Oleic acid, compound with ethane-1,2-diamine phosphate","oleic acid, compound with ethane-1,2-diamine phosphate",CCCCCCCC\\C=C/CCCCCCCC(=O)O.NCCN.OP(=O)(O)O,CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCN.OP(=O)(O)O,"InChI=1/C18H34O2.C2H8N2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4;1-5(2,3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H2;(H3,1,2,3,4)",C18H34O2.xC2H8N2.xH3O4P,,,,,,IHEYUHUEZYUDCF-XXAVUKJNSA-N,,,,,,,,,,,
100.099.136,309-112-7,100021-85-0,"Palmitic acid, compound with ethylenediamine phosphate","palmitic acid, compound with ethylenediamine phosphate",CCCCCCCCCCCCCCCC(=O)O.NCCN.OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)O.NCCN.OP(=O)(O)O,"InChI=1/C16H32O2.C2H8N2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3-1-2-4;1-5(2,3)4/h2-15H2,1H3,(H,17,18);1-4H2;(H3,1,2,3,4)",C16H32O2.xC2H8N2.xH3O4P,,,,,,LAKCHEQHJPZYBK-UHFFFAOYSA-N,,,,,,,,,,,
100.099.369,309-377-9,100231-76-3,"3a,4,5,6-tetrahydro-2,2,3a-trimethylindancarbaldehyde","2,2,3a-trimethyl-2,3,3a,4,5,6-hexahydro-1H-indene-1-carbaldehyde",CC1(C)CC2(C)CCCC=C2C1C=O,CC1(C)CC2(C)CCCC=C2C1C=O,"InChI=1/C13H20O/c1-12(2)9-13(3)7-5-4-6-10(13)11(12)8-14/h6,8,11H,4-5,7,9H2,1-3H3",C13H20O,,,,,,GOWIYTQTDKCRDA-UHFFFAOYSA-N,,,,,,,,,,,
100.096.331,306-015-1,95470-29-4,"(E)-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-ene-2,4-dione","6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-ene-2,4-dione",CC(=O)CC(=O)\\C=C\\C1C(=CCCC1(C)C)C,CC(=O)CC(=O)\C=C\C1C(=CCCC1(C)C)C,"InChI=1/C15H22O2/c1-11-6-5-9-15(3,4)14(11)8-7-13(17)10-12(2)16/h6-8,14H,5,9-10H2,1-4H3",C15H22O2,,,,,,MDWSMUFPCWONGB-BQYQJAHWSA-N,,,,,,,,,,,
100.096.345,306-030-3,95873-42-0,Methyl 2-methyl-5-(1-methylvinyl)-3-oxocyclohexaneacetate,methyl (5-isopropenyl-2-methyl-3-oxocyclohexyl)acetate,COC(=O)CC1CC(CC(=O)C1C)C(=C)C,COC(=O)CC1CC(CC(=O)C1C)C(=C)C,"InChI=1/C13H20O3/c1-8(2)10-5-11(7-13(15)16-4)9(3)12(14)6-10/h9-11H,1,5-7H2,2-4H3",C13H20O3,,,,,,WUMWBENNYNYNCU-UHFFFAOYSA-N,,,,,,,,,,,
100.096.347,306-032-4,95873-44-2,2-[2-(2-butoxyethoxy)propoxy]propan-1-ol,2-[2-(2-butoxyethoxy)propoxy]propan-1-ol,CCCCOCCOC(C)COC(C)CO,CCCCOCCOC(C)COC(C)CO,"InChI=1/C12H26O4/c1-4-5-6-14-7-8-15-12(3)10-16-11(2)9-13/h11-13H,4-10H2,1-3H3",C12H26O4,,,,,,LOXNJBRAZNAGGB-UHFFFAOYSA-N,,,,,,,,,,,
100.098.547,308-454-4,98072-04-9,"1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate","16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl dihydrogen phosphate",OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1,OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1,"InChI=1/C17H29O9P/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17/h1-5H,6-16H2,(H2,18,19,20)",C17H29O9P,,,,,,OWCBSPOKYFVTBD-UHFFFAOYSA-N,,,,,,,,,,,
100.081.233,289-388-2,88127-82-6,"13,13-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3,6,9,12-tetraoxo-13-silahexadecan-16-amine","13-(3-aminopropyl)-13-{2-[2-(2-ethoxyethoxy)ethoxy]ethoxy}-14-oxo-3,6,9,12-tetraoxa-13-silapentacosane-17,20,23-trione",CCOCCOCCOCCO[Si](CCCN)(OCCOCCOCCOCC)C(=O)CCC(=O)CCC(=O)CCC(=O)CC,CCOCCOCCOCCO[Si](CCCN)(OCCOCCOCCOCC)C(=O)CCC(=O)CCC(=O)CCC(=O)CC,"InChI=1/C31H59NO12Si/c1-4-28(33)8-9-29(34)10-11-30(35)12-13-31(36)45(27-7-14-32,43-25-23-41-21-19-39-17-15-37-5-2)44-26-24-42-22-20-40-18-16-38-6-3/h4-27,32H2,1-3H3",C27H59NO12Si,,,,,,LYWVREINLLWWJN-UHFFFAOYSA-N,,,,,,,,,,,
100.081.243,289-399-2,88280-81-3,"Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate","octyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate",CCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1,CCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1,"InChI=1/C13H20N2O4/c1-2-3-4-5-6-7-8-19-12(17)10-9-11(16)15-13(18)14-10/h9H,2-8H2,1H3,(H2,14,15,16,18)",C13H20N2O4,,,,,,JVCVWBZTXWYZSC-UHFFFAOYSA-N,,,,,,,,,,,
100.084.231,292-688-6,90904-35-1,"Ethyl 2,6-dihydroxy-p-toluate","ethyl 2,6-dihydroxy-4-methylbenzoate",CCOC(=O)c1c(O)cc(C)cc1O,CCOC(=O)c1c(O)cc(C)cc1O,"InChI=1/C10H12O4/c1-3-14-10(13)9-7(11)4-6(2)5-8(9)12/h4-5,11-12H,3H2,1-2H3",C10H12O4,,,,,,HEYUNNVBQQMDPI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.253,287-209-2,85423-06-9,4-[(4-aminophenyl)methyl]-2-[[4-(ethylamino)phenyl]methyl]aniline,4-(4-aminobenzyl)-2-[4-(ethylamino)benzyl]aniline,CCNc1ccc(Cc2cc(Cc3ccc(N)cc3)ccc2N)cc1,CCNc1ccc(Cc2cc(Cc3ccc(N)cc3)ccc2N)cc1,"InChI=1/C22H25N3/c1-2-25-21-10-5-17(6-11-21)14-19-15-18(7-12-22(19)24)13-16-3-8-20(23)9-4-16/h3-12,15,25H,2,13-14,23-24H2,1H3",C22H25N3,,,,,,ONDLYQCPOPPXNC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.255,287-211-3,85423-08-1,3-[(4-aminophenyl)methyl]-o-toluidine,3-(4-aminobenzyl)-2-methylaniline,Cc1c(N)cccc1Cc2ccc(N)cc2,Cc1c(N)cccc1Cc2ccc(N)cc2,"InChI=1/C14H16N2/c1-10-12(3-2-4-14(10)16)9-11-5-7-13(15)8-6-11/h2-8H,9,15-16H2,1H3",C14H16N2,,,,,,HMHAYTIOPQKQJG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.256,287-212-9,85423-09-2,3-[(4-aminophenyl)methyl]-p-toluidine,3-(4-aminobenzyl)-4-methylaniline,Cc1ccc(N)cc1Cc2ccc(N)cc2,Cc1ccc(N)cc1Cc2ccc(N)cc2,"InChI=1/C14H16N2/c1-10-2-5-14(16)9-12(10)8-11-3-6-13(15)7-4-11/h2-7,9H,8,15-16H2,1H3",C14H16N2,,,,,,SJGGHASKJNUCMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.257,287-213-4,85423-10-5,"Hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide","N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxoazepane-1-carboxamide",CC1(C)CC(CC(C)(CNC(=O)N2CCCCCC2=O)C1)N=C=O,CC1(C)CC(CC(C)(CNC(=O)N2CCCCCC2=O)C1)N=C=O,"InChI=1/C18H29N3O3/c1-17(2)9-14(20-13-22)10-18(3,11-17)12-19-16(24)21-8-6-4-5-7-15(21)23/h14H,4-12H2,1-3H3,(H,19,24)",C18H29N3O3,,,,,,UTXHODYEQYVYHR-UHFFFAOYSA-N,,,,,,,,,,,
100.079.477,287-455-0,85508-29-8,Isobutyl N-formyl-DL-alaninate,isobutyl N-formyl-L-alaninate,CC(C)COC(=O)[C@H](C)NC=O,CC(C)COC(=O)[C@H](C)NC=O,"InChI=1/C8H15NO3/c1-6(2)4-12-8(11)7(3)9-5-10/h5-7H,4H2,1-3H3,(H,9,10)",C8H15NO3,,,,,,FGOLYBWRHWRGOZ-ZETCQYMHSA-N,,,,,,,,,,,
100.079.480,287-458-7,85508-32-3,"Methyl 11H-dibenzo[b,e][1,4]dioxepin-11-ylideneacetate","methyl 11H-dibenzo[b,e][1,4]dioxepin-11-ylideneacetate",COC(=O)C=C2Oc3ccccc3Oc1ccccc12,COC(=O)C=C2Oc3ccccc3Oc1ccccc12,"InChI=1/C16H12O4/c1-18-16(17)10-15-11-6-2-3-7-12(11)19-13-8-4-5-9-14(13)20-15/h2-10H,1H3",C16H12O4,,,,,,NAIDLBXXPCUDGF-UHFFFAOYSA-N,,,,,,,,,,,
100.079.481,287-459-2,85508-33-4,"Carbonic acid, compound with 1-(2-methoxyphenyl)piperazine (1:1)",carbonic acid - 1-(2-methoxyphenyl)piperazine (1:1),COc1ccccc1N2CCNCC2.OC(=O)O,COc1ccccc1N2CCNCC2.OC(=O)O,"InChI=1/C11H16N2O.CH2O3/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;2-1(3)4/h2-5,12H,6-9H2,1H3;(H2,2,3,4)",C11H16N2O.CH2O3,,,,,,RMZKVZCHYUVHEA-UHFFFAOYSA-N,,,,,,,,,,,
100.079.482,287-460-8,85508-35-6,2-chloro-5-(phenylsulphonyl)aniline,2-chloro-5-(phenylsulfonyl)aniline,Nc1cc(ccc1Cl)S(=O)(=O)c2ccccc2,Nc1cc(ccc1Cl)S(=O)(=O)c2ccccc2,"InChI=1/C12H10ClNO2S/c13-11-7-6-10(8-12(11)14)17(15,16)9-4-2-1-3-5-9/h1-8H,14H2",C12H10ClNO2S,,,,,,PNYNNXFKKSRJJS-UHFFFAOYSA-N,,,,,,,,,,,
100.079.483,287-461-3,85508-36-7,N-[4-bromo-2-(2-fluorobenzoyl)phenyl]-2-chloroacetamide,N-[4-bromo-2-(2-fluorobenzoyl)phenyl]-2-chloroacetamide,Fc1ccccc1C(=O)c2cc(Br)ccc2NC(=O)CCl,Fc1ccccc1C(=O)c2cc(Br)ccc2NC(=O)CCl,"InChI=1/C15H10BrClFNO2/c16-9-5-6-13(19-14(20)8-17)11(7-9)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)",C15H10BrClFNO2,,,,,,HOQSGKIDIDLTAG-UHFFFAOYSA-N,,,,,,,,,,,
100.079.485,287-463-4,85508-39-0,"(1a,2ß,5a)-5-methyl-2-(1-methylethyl)cyclohexyl (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-ß-alaninate","2-isopropyl-5-methylcyclohexyl N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate",CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CCNC(=O)[C@H](O)C(C)(C)CO,CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CCNC(=O)[C@H](O)C(C)(C)CO,"InChI=1/C19H35NO5/c1-12(2)14-7-6-13(3)10-15(14)25-16(22)8-9-20-18(24)17(23)19(4,5)11-21/h12-15,17,21,23H,6-11H2,1-5H3,(H,20,24)",C19H35NO5,,,,,,UUSXSTJTTPYVOV-IVSAIRAKSA-N,,,,,,,,,,,
100.079.486,287-465-5,85508-40-3,N-[2-[(5-nitrothiazol-2-yl)azo]-5-[(phenylsulphonyl)amino]phenyl]acetamide,"N-{2-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-5-[(phenylsulfonyl)amino]phenyl}acetamide",O=S(=O)(Nc2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2)c3ccccc3,O=S(=O)(Nc2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(NC(C)=O)c2)c3ccccc3,"InChI=1/C17H14N6O5S2/c1-11(24)19-15-9-12(22-30(27,28)13-5-3-2-4-6-13)7-8-14(15)20-21-17-18-10-16(29-17)23(25)26/h2-10,22H,1H3,(H,19,24)",C17H14N6O5S2,,,,,,LMVIHKFPEMITLX-UHFFFAOYSA-N,,,,,,,,,,,
100.079.499,287-479-1,85535-87-1,"Alkenes, C10-13",undec-3-ene,CCCCCCC\\C=C\\CC,CCCCCCC\C=C\CC,"InChI=1/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13701,https://echa.europa.eu/substance-information/-/substanceinfo/100.079.499,SDTYFWAQLSIEBH-FNORWQNLSA-N,,,,,,,,,,,
100.094.233,303-703-3,94202-11-6,Tetraammonium [(tetradecylimino)bis(methylene)]diphosphonate,tetraammonium [(tetradecylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.4H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);4*1H3",C16H37NO6P2.4H3N,,,,,,BRQUDVYHKWUORZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.236,303-707-5,94202-14-9,S-butyl 3-methylbutanethioate,S-sec-butyl 3-methylbutanethioate,CCC(C)SC(=O)CC(C)C,CCC(C)SC(=O)CC(C)C,"InChI=1/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3",C9H18OS,,,,,,MQAVHZCNCJTJJP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.243,303-714-3,94213-13-5,"2-[2-[[5,6-dimethyl-3-(4-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]-1-butenyl]-1-ethylnaphtho[1,2-d]thiazolium","4-[2-{2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium-2-yl)methylene]butylidene}-5,6-dimethyl-1,3-benzoselenazol-3(2H)-yl]butane-1-sulfonate",CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CCCCS([O-])(=O)=O,CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CCCCS([O-])(=O)=O,"InChI=1/C31H34N2O3S2Se/c1-5-23(19-29-32(6-2)31-25-12-8-7-11-24(25)13-14-27(31)37-29)20-30-33(15-9-10-16-38(34,35)36)26-17-21(3)22(4)18-28(26)39-30/h7-8,11-14,17-20H,5-6,9-10,15-16H2,1-4H3",C31H34N2O3S2Se,,,,,,OYHMPSMCWKGNQK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.246,303-718-5,94213-16-8,"2,2'-(cyclohexylimino)bisethanol hydrochloride","2,2'-(cyclohexylimino)diethanol hydrochloride",Cl.OCCN(CCO)C1CCCCC1,Cl.OCCN(CCO)C1CCCCC1,"InChI=1/C10H21NO2.ClH/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;/h10,12-13H,1-9H2;1H",C10H21NO2.ClH,,,,,,GGMRRUCROGYYOC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.249,303-721-1,94213-19-1,Butylethylbis(2-hydroxyethyl)ammonium ethyl sulphate,"N-ethyl-N,N-bis(2-hydroxyethyl)butan-1-aminium ethyl sulfate",CCCC[N+](CC)(CCO)CCO.CCOS(=O)(=O)[O-],CCCC[N+](CC)(CCO)CCO.CCOS(=O)(=O)[O-],"InChI=1/C10H24NO2.C2H6O4S/c1-3-5-6-11(4-2,7-9-12)8-10-13;1-2-6-7(3,4)5/h12-13H,3-10H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C10H24NO2.C2H5O4S,,,,,,JDUMFALSUWSKMH-UHFFFAOYSA-M,,,,,,,,,,,
100.094.376,303-860-8,94231-43-3,4-methylbenzyl 2-methylbutyrate,4-methylbenzyl 2-methylbutanoate,CCC(C)C(=O)OCc1ccc(C)cc1,CCC(C)C(=O)OCc1ccc(C)cc1,"InChI=1/C13H18O2/c1-4-11(3)13(14)15-9-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3",C13H18O2,,,,,,OUFFFGFYTMZJHK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.378,303-862-9,94231-45-5,"2-(2,6-dimethyl-1,5-heptadienyl)-4,7-dihydro-1,3-dioxepin","2-(2,6-dimethylhepta-1,5-dien-1-yl)-4,7-dihydro-1,3-dioxepine",C/C(C)=C\\CCC(C)=CC1OC/C=C\\CO1,C/C(C)=C\CCC(C)=CC1OC/C=C\CO1,"InChI=1/C14H22O2/c1-12(2)7-6-8-13(3)11-14-15-9-4-5-10-16-14/h4-5,7,11,14H,6,8-10H2,1-3H3",C14H22O2,,,,,,BNAWNFPQBMZJHA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.399,303-885-4,94231-66-0,2-tetradecyloctadecyl laurate,2-tetradecyloctadecyl laurate,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC,"InChI=1/C44H88O2/c1-4-7-10-13-16-19-21-23-24-26-29-31-34-37-40-43(39-36-33-30-28-25-22-20-17-14-11-8-5-2)42-46-44(45)41-38-35-32-27-18-15-12-9-6-3/h43H,4-42H2,1-3H3",C44H88O2,,,,,,UZKUERLUANTLEX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.404,303-891-7,94231-71-7,1-(bromophenylmethyl)-4-(ethylsulphonyl)benzene,1-[bromo(phenyl)methyl]-4-(ethylsulfonyl)benzene,CCS(=O)(=O)c1ccc(cc1)C(Br)c2ccccc2,CCS(=O)(=O)c1ccc(cc1)C(Br)c2ccccc2,"InChI=1/C15H15BrO2S/c1-2-19(17,18)14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3",C15H15BrO2S,,,,,,MCLAVHQBTIMMCD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.405,303-892-2,94231-72-8,1-(chlorophenylmethyl)-4-(ethylsulphonyl)benzene,1-[chloro(phenyl)methyl]-4-(ethylsulfonyl)benzene,CCS(=O)(=O)c1ccc(cc1)C(Cl)c2ccccc2,CCS(=O)(=O)c1ccc(cc1)C(Cl)c2ccccc2,"InChI=1/C15H15ClO2S/c1-2-19(17,18)14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3",C15H15ClO2S,,,,,,ZEKZLEKFQFHUFW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.409,303-896-4,94231-76-2,"Tetrasodium 2-[[8-[[4-chloro-6-[[4-(6-methyl-5-sulphonatobenzothiazol-2-yl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]benzoate","tetrasodium 2-({8-[(4-chloro-6-{[4-(6-methyl-5-sulfonato-1,3-benzothiazol-2-yl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-1-hydroxy-3,6-disulfonato-2-naphthyl}diazenyl)benzoate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c7ccccc7N=Nc1c(O)c6c(cc1S([O-])(=O)=O)cc(cc6Nc2nc(nc(Cl)n2)Nc3ccc(cc3)c4nc5cc(c(C)cc5s4)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c7ccccc7N=Nc1c(O)c6c(cc1S([O-])(=O)=O)cc(cc6Nc2nc(nc(Cl)n2)Nc3ccc(cc3)c4nc5cc(c(C)cc5s4)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C34H23ClN8O12S4.4Na/c1-15-10-24-22(14-25(15)58(50,51)52)37-30(56-24)16-6-8-18(9-7-16)36-33-39-32(35)40-34(41-33)38-23-13-19(57(47,48)49)11-17-12-26(59(53,54)55)28(29(44)27(17)23)43-42-21-5-3-2-4-20(21)31(45)46;;;;/h2-14,44H,1H3,(H,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,36,38,39,40,41);;;;/q;4*+1/p-4",C34H23ClN8O12S4.4Na,,,,,,SGBQWDBCOGFBFC-UHFFFAOYSA-J,,,,,,,,,,,
100.094.430,303-920-3,94231-97-7,"5-ethyl-5-phenylbarbituric acid, compound with 4,5-dihydro-2-methyl-1H-imidazole (1:1)","5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione - 2-methyl-4,5-dihydro-1H-imidazole (1:1)",CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC3=NCCN3,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC3=NCCN3,"InChI=1/C12H12N2O3.C4H8N2/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-4-5-2-3-6-4/h3-7H,2H2,1H3,(H2,13,14,15,16,17);2-3H2,1H3,(H,5,6)",C12H12N2O3.C4H8N2,,,,,,FJTUSQWYZJVOJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.892,303-328-5,94160-43-7,"Sodium 4-[(1,5-dihydroxy-2-naphthyl)azo]naphthalene-1-sulphonate","sodium 4-[(1,5-dihydroxy-2-naphthyl)diazenyl]naphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)c4ccc(N=Nc2ccc1c(O)cccc1c2O)c3ccccc34,[Na+].[O-]S(=O)(=O)c4ccc(N=Nc2ccc1c(O)cccc1c2O)c3ccccc34,"InChI=1/C20H14N2O5S.Na/c23-18-7-3-6-15-13(18)8-9-17(20(15)24)22-21-16-10-11-19(28(25,26)27)14-5-2-1-4-12(14)16;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1",C20H14N2O5S.Na,,,,,,CIZAKYJKLFQMBS-UHFFFAOYSA-M,,,,,,,,,,,
100.093.895,303-331-1,94166-35-5,3-(o-isocyanatobenzyl)-p-tolyl isocyanate,4-isocyanato-2-(2-isocyanatobenzyl)-1-methylbenzene,Cc1ccc(cc1Cc2ccccc2N=C=O)N=C=O,Cc1ccc(cc1Cc2ccccc2N=C=O)N=C=O,"InChI=1/C16H12N2O2/c1-12-6-7-15(17-10-19)9-14(12)8-13-4-2-3-5-16(13)18-11-20/h2-7,9H,8H2,1H3",C16H12N2O2,,,,,,UAWLZSHOYIKAEE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.896,303-332-7,94166-36-6,3-(o-isocyanatobenzyl)-o-tolyl isocyanate,1-isocyanato-3-(2-isocyanatobenzyl)-2-methylbenzene,Cc1c(Cc2ccccc2N=C=O)cccc1N=C=O,Cc1c(Cc2ccccc2N=C=O)cccc1N=C=O,"InChI=1/C16H12N2O2/c1-12-13(6-4-8-15(12)17-10-19)9-14-5-2-3-7-16(14)18-11-20/h2-8H,9H2,1H3",C16H12N2O2,,,,,,AYEGYNYLXCZWQH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.901,303-337-4,94166-41-3,"3-cyclohexyl-5-[4-(1-ethylnaphth[1,2-d]oxazol-2(1H)-ylidene)-1-methylbut-2-enylidene]-2-thioxothiazolidin-4-one","3-cyclohexyl-5-[4-(1-ethylnaphtho[1,2-d][1,3]oxazol-2(1H)-ylidene)-1-methylbut-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one",S=C2SC(C(=O)N2C1CCCCC1)=C(C)C=CC=C4Oc5ccc3ccccc3c5N4CC,S=C2SC(C(=O)N2C1CCCCC1)=C(C)C=CC=C4Oc5ccc3ccccc3c5N4CC,"InChI=1/C27H28N2O2S2/c1-3-28-23(31-22-17-16-19-11-7-8-14-21(19)24(22)28)15-9-10-18(2)25-26(30)29(27(32)33-25)20-12-5-4-6-13-20/h7-11,14-17,20H,3-6,12-13H2,1-2H3",C27H28N2O2S2,,,,,,DLERGUBGTYVNCN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.902,303-339-5,94166-42-4,"5-[[4-[(2-chlorophenyl)[4-[(3,5-dicarboxyphenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]isophthalic acid monohydrochloride","5-({4-[(2-chlorophenyl){4-[(3,5-dicarboxyphenyl)amino]phenyl}methylene]cyclohexa-2,5-dien-1-ylidene}amino)isophthalic acid hydrochloride",Cl.OC(=O)c1cc(cc(c1)C(O)=O)Nc2ccc(cc2)C(\\c3ccccc3Cl)=C4\\C=C/C(/C=C4)=Nc5cc(cc(c5)C(O)=O)C(O)=O,Cl.OC(=O)c1cc(cc(c1)C(O)=O)Nc2ccc(cc2)C(\c3ccccc3Cl)=C4\C=C/C(/C=C4)=Nc5cc(cc(c5)C(O)=O)C(O)=O,"InChI=1/C35H23ClN2O8.ClH/c36-30-4-2-1-3-29(30)31(19-5-9-25(10-6-19)37-27-15-21(32(39)40)13-22(16-27)33(41)42)20-7-11-26(12-8-20)38-28-17-23(34(43)44)14-24(18-28)35(45)46;/h1-18,37H,(H,39,40)(H,41,42)(H,43,44)(H,45,46);1H",C35H23ClN2O8.ClH,,,,,,KXFMNVQVDOVUBX-RWGHWWAASA-N,,,,,,,,,,,
100.093.907,303-344-2,94166-49-1,"N'-(4-amino-2-chlorophenyl)-2,2-dimethylpropionohydrazide","N'-(4-amino-2-chlorophenyl)-2,2-dimethylpropanehydrazide",CC(C)(C)C(=O)NNc1ccc(N)cc1Cl,CC(C)(C)C(=O)NNc1ccc(N)cc1Cl,"InChI=1/C11H16ClN3O/c1-11(2,3)10(16)15-14-9-5-4-7(13)6-8(9)12/h4-6,14H,13H2,1-3H3,(H,15,16)",C11H16ClN3O,,,,,,BPIFGYNBAXQRTO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.909,303-346-3,94166-51-5,"Nonanoic acid, compound with tributylamine (1:1)","nonanoic acid - N,N-dibutylbutan-1-amine (1:1)",CCCCCCCCC(=O)O.CCCCN(CCCC)CCCC,CCCCCCCCC(=O)O.CCCCN(CCCC)CCCC,"InChI=1/C12H27N.C9H18O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-6-7-8-9(10)11/h4-12H2,1-3H3;2-8H2,1H3,(H,10,11)",C12H27N.C9H18O2,,,,,,VUKJIWMKXZSKMU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.913,303-351-0,94166-55-9,"Ethyl 10,11-diiodoundec-10-enoate","ethyl 10,11-diiodoundec-10-enoate",CCOC(=O)CCCCCCCCC(I)=CI,CCOC(=O)CCCCCCCCC(I)=CI,"InChI=1/C13H22I2O2/c1-2-17-13(16)10-8-6-4-3-5-7-9-12(15)11-14/h11H,2-10H2,1H3",C13H22I2O2,,,,,,IUWRZBSPIGLBRX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.915,303-353-1,94166-57-1,N-ethyl-6-methoxy-3-nitropyridin-2-amine,N-ethyl-6-methoxy-3-nitropyridin-2-amine,CCNc1nc(OC)ccc1[N+](=O)[O-],CCNc1nc(OC)ccc1[N+](=O)[O-],"InChI=1/C8H11N3O3/c1-3-9-8-6(11(12)13)4-5-7(10-8)14-2/h4-5H,3H2,1-2H3,(H,9,10)",C8H11N3O3,,,,,,ASUQBRULJIRHPC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.931,303-370-4,94166-73-1,Sodium 5-[(4-amino-5-hydroxy-o-tolyl)azo]-2-chlorobenzenesulphonate,sodium 5-[(4-amino-5-hydroxy-2-methylphenyl)diazenyl]-2-chlorobenzenesulfonate,[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2cc(O)c(N)cc2C,[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2cc(O)c(N)cc2C,"InChI=1/C13H12ClN3O4S.Na/c1-7-4-10(15)12(18)6-11(7)17-16-8-2-3-9(14)13(5-8)22(19,20)21;/h2-6,18H,15H2,1H3,(H,19,20,21);/q;+1/p-1",C13H12ClN3O4S.Na,,,,,,UPGFSXRNCUHGBM-UHFFFAOYSA-M,,,,,,,,,,,
100.093.975,303-418-4,94199-46-9,3-amino-4-(methyloctadecylamino)benzoic acid monohydrochloride,3-amino-4-[methyl(octadecyl)amino]benzoic acid hydrochloride,Cl.CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)C(=O)O,Cl.CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)C(=O)O,"InChI=1/C26H46N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(2)25-20-19-23(26(29)30)22-24(25)27;/h19-20,22H,3-18,21,27H2,1-2H3,(H,29,30);1H",C26H46N2O2.ClH,,,,,,WWRSQXQQEFOZLH-UHFFFAOYSA-N,,,,,,,,,,,
100.098.550,308-458-6,98072-08-3,Triethyl[2-[(1-oxooctyl)oxy]ethyl]ammonium ethyl sulphate,"N,N,N-triethyl-2-(octanoyloxy)ethanaminium ethyl sulfate",CCCCCCCC(=O)OCC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-],CCCCCCCC(=O)OCC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-],"InChI=1/C16H34NO2.C2H6O4S/c1-5-9-10-11-12-13-16(18)19-15-14-17(6-2,7-3)8-4;1-2-6-7(3,4)5/h5-15H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C16H34NO2.C2H5O4S,,,,,,UVMDHJDDPXKIIO-UHFFFAOYSA-M,,,,,,,,,,,
100.098.551,308-459-1,98072-10-7,Triethyl[2-[(1-oxodecyl)oxy]ethyl]ammonium ethyl sulphate,"2-(decanoyloxy)-N,N,N-triethylethanaminium ethyl sulfate",CCCCCCCCCC(=O)OCC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-],CCCCCCCCCC(=O)OCC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-],"InChI=1/C18H38NO2.C2H6O4S/c1-5-9-10-11-12-13-14-15-18(20)21-17-16-19(6-2,7-3)8-4;1-2-6-7(3,4)5/h5-17H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",C18H38NO2.C2H5O4S,,,,,,FJDKBYFACUUWKN-UHFFFAOYSA-M,,,,,,,,,,,
100.098.559,308-468-0,98072-18-5,"Oleic acid, compound with (Z)-2,2'-(octadec-9-enylimino)diethanol (1:1)","octadec-9-enoic acid - 2,2'-(octadec-9-en-1-ylimino)diethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCCN(CCO)CCO.CCCCCCCC\\C=C/CCCCCCCC(=O)O,CCCCCCCC\C=C/CCCCCCCCN(CCO)CCO.CCCCCCCC\C=C/CCCCCCCC(=O)O,"InChI=1/C22H45NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,24-25H,2-8,11-22H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)",C22H45NO2.C18H34O2,,,,,,AOXUQBZMYURLRD-QZOPMXJLSA-N,,,,,,,,,,,
100.098.565,308-474-3,98072-24-3,"Bis[[3-(methacryloyloxy)-2,2-dimethylpropyl]dimethylammonium] sulphate","bis[3-(methacryloyloxy)-N,N,2,2-tetramethylpropan-1-aminium] sulfate",C[NH+](C)CC(C)(C)COC(=O)C(=C)C.C[NH+](C)CC(C)(C)COC(=O)C(=C)C.[O-]S(=O)(=O)[O-],C[NH+](C)CC(C)(C)COC(=O)C(=C)C.C[NH+](C)CC(C)(C)COC(=O)C(=C)C.[O-]S(=O)(=O)[O-],"InChI=1/2C11H21NO2.H2O4S/c2*1-9(2)10(13)14-8-11(3,4)7-12(5)6;1-5(2,3)4/h2*1,7-8H2,2-6H3;(H2,1,2,3,4)",C11H21NO2.1/2H2O4S,,,,,,FBCGOLDPDYAXOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.681,305-296-8,94406-00-5,"1-(1,3-diphenylbutyl)-3-ethylbenzene","1-(1,3-diphenylbutyl)-3-ethylbenzene",CCc1cccc(c1)C(CC(C)c2ccccc2)c3ccccc3,CCc1cccc(c1)C(CC(C)c2ccccc2)c3ccccc3,"InChI=1/C24H26/c1-3-20-11-10-16-23(18-20)24(22-14-8-5-9-15-22)17-19(2)21-12-6-4-7-13-21/h4-16,18-19,24H,3,17H2,1-2H3",C24H26,,,,,,RLZRRIOPWXPUDM-UHFFFAOYSA-N,,,,,,,,,,,
100.095.688,305-303-4,94406-15-2,"3a,4,5,6-tetrahydro-1,3,3-trimethylindancarbaldehyde","1,3,3-trimethyl-2,3,3a,4,5,6-hexahydro-1H-indene-1-carbaldehyde",CC1(C)CC(C)(C=O)C2=CCCCC12,CC1(C)CC(C)(C=O)C2=CCCCC12,"InChI=1/C13H20O/c1-12(2)8-13(3,9-14)11-7-5-4-6-10(11)12/h7,9-10H,4-6,8H2,1-3H3",C13H20O,,,,,,GHHCTCHDGTWLFZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.698,305-314-4,94441-89-1,(S)-N-[3-methyl-1-[(2-naphthylamino)carbonyl]butyl]benzamide,N~2~-benzoyl-N-2-naphthyl-L-leucinamide,CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)Nc2ccc3ccccc3c2,CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)Nc2ccc3ccccc3c2,"InChI=1/C23H24N2O2/c1-16(2)14-21(25-22(26)18-9-4-3-5-10-18)23(27)24-20-13-12-17-8-6-7-11-19(17)15-20/h3-13,15-16,21H,14H2,1-2H3,(H,24,27)(H,25,26)",C23H24N2O2,,,,,,QTJKADZPYFJSEQ-NRFANRHFSA-N,,,,,,,,,,,
100.095.701,305-318-6,94441-92-6,Sodium N-(2-carboxyethyl)-N-(2-ethylhexyl)-ß-alaninate,sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate,[Na+].CCCCC(CC)CN(CCC(=O)O)CCC(=O)[O-],[Na+].CCCCC(CC)CN(CCC(=O)O)CCC(=O)[O-],"InChI=1/C14H27NO4.Na/c1-3-5-6-12(4-2)11-15(9-7-13(16)17)10-8-14(18)19;/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19);/q;+1/p-1",C14H27NO4.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13158,https://echa.europa.eu/substance-information/-/substanceinfo/100.095.701,WVQFKDGIJVWORA-UHFFFAOYSA-M,,,,,,,,,,,
100.095.706,305-323-3,94441-98-2,Bis(pentabromobenzyl) tetrabromoterephthalate,"bis(pentabromobenzyl) 2,3,5,6-tetrabromoterephthalate",Brc1c(Br)c(Br)c(COC(=O)c2c(Br)c(Br)c(C(=O)OCc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br,Brc1c(Br)c(Br)c(COC(=O)c2c(Br)c(Br)c(C(=O)OCc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br,InChI=1/C22H4Br14O4/c23-7-3(8(24)16(32)19(35)15(7)31)1-39-21(37)5-11(27)13(29)6(14(30)12(5)28)22(38)40-2-4-9(25)17(33)20(36)18(34)10(4)26/h1-2H2,C22H4Br14O4,,,,,,RIYVASNPCAGQKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.707,305-324-9,94441-99-3,"(E)-2',6'-dihydroxy-4,4'-dimethoxychalcone","1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one",COc1ccc(\\C=C\\C(=O)c2c(O)cc(OC)cc2O)cc1,COc1ccc(\C=C\C(=O)c2c(O)cc(OC)cc2O)cc1,"InChI=1/C17H16O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-10,19-20H,1-2H3",C17H16O5,,,,,,NXHNEWMDVUHUCV-VMPITWQZSA-N,,,,,,,,,,,
100.095.710,305-328-0,94442-02-1,2-(4-neopentylphenoxy)aniline,"2-[4-(2,2-dimethylpropyl)phenoxy]aniline",CC(C)(C)Cc1ccc(Oc2ccccc2N)cc1,CC(C)(C)Cc1ccc(Oc2ccccc2N)cc1,"InChI=1/C17H21NO/c1-17(2,3)12-13-8-10-14(11-9-13)19-16-7-5-4-6-15(16)18/h4-11H,12,18H2,1-3H3",C17H21NO,,,,,,OJQBKBWOUORGAL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.723,305-342-7,94442-16-7,"Salicylic acid, compound with 1-methyl-1H-imidazole (1:1)",2-hydroxybenzoic acid - 1-methyl-1H-imidazole (1:1),Cn1ccnc1.OC(=O)c2ccccc2O,Cn1ccnc1.OC(=O)c2ccccc2O,"InChI=1/C7H6O3.C4H6N2/c8-6-4-2-1-3-5(6)7(9)10;1-6-3-2-5-4-6/h1-4,8H,(H,9,10);2-4H,1H3",C7H6O3.C4H6N2,,,,,,KGKNMMOAEUJQTI-UHFFFAOYSA-N,,,,,,,,,,,
100.079.282,287-241-7,85443-49-8,"(2R-trans)-2-[3,4-bis(phenylmethoxy)phenyl]-3,4-dihydro-3,5,7-tris(phenylmethoxy)-2H-1-benzopyran","3,5,7-tris(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]chromane",C(O[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5)c8ccccc8,C(O[C@H]1Cc2c(OCc3ccccc3)cc(OCc4ccccc4)cc2O[C@@H]1c5ccc(OCc6ccccc6)c(OCc7ccccc7)c5)c8ccccc8,"InChI=1/C50H44O6/c1-6-16-37(17-7-1)32-51-43-29-46(53-34-39-20-10-3-11-21-39)44-31-49(55-36-41-24-14-5-15-25-41)50(56-47(44)30-43)42-26-27-45(52-33-38-18-8-2-9-19-38)48(28-42)54-35-40-22-12-4-13-23-40/h1-30,49-50H,31-36H2",C50H44O6,,,,,,ZQXZWSRJQYKNEG-LOYCUKJKSA-N,,,,,,,,,,,
100.079.310,287-272-6,85455-37-4,"Sodium 1-(2-methylpropyl) 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino]benzoate","sodium 1-amino-4-{[3-(isobutoxycarbonyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[Na+].CC(C)COC(=O)c1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c1,[Na+].CC(C)COC(=O)c1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c1,"InChI=1/C25H22N2O7S.Na/c1-13(2)12-34-25(30)14-6-5-7-15(10-14)27-18-11-19(35(31,32)33)22(26)21-20(18)23(28)16-8-3-4-9-17(16)24(21)29;/h3-11,13,27H,12,26H2,1-2H3,(H,31,32,33);/q;+1/p-1",C25H22N2O7S.Na,,,,,,NUZUJPAPCOOFAA-UHFFFAOYSA-M,,,,,,,,,,,
100.079.311,287-273-1,85455-38-5,"1-(2-methylpropyl) 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]benzoate","1-amino-4-{[3-(isobutoxycarbonyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",CC(C)COC(=O)c1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c1,CC(C)COC(=O)c1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c1,"InChI=1/C25H22N2O7S/c1-13(2)12-34-25(30)14-6-5-7-15(10-14)27-18-11-19(35(31,32)33)22(26)21-20(18)23(28)16-8-3-4-9-17(16)24(21)29/h3-11,13,27H,12,26H2,1-2H3,(H,31,32,33)",C25H22N2O7S,,,,,,LQEHSCRHPFGQOC-UHFFFAOYSA-N,,,,,,,,,,,
100.079.315,287-277-3,85455-42-1,"5-(acetylamino)-4-hydroxy-3-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid","5-acetamido-4-hydroxy-3-{[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl}naphthalene-2,7-disulfonic acid",O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c(C)cc4,O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c(C)cc4,"InChI=1/C25H22N4O10S3/c1-14-8-9-18(40(32,33)29-17-6-4-3-5-7-17)12-20(14)27-28-24-22(42(37,38)39)11-16-10-19(41(34,35)36)13-21(26-15(2)30)23(16)25(24)31/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39)",C25H22N4O10S3,,,,,,NNPIYUMQALKSFV-UHFFFAOYSA-N,,,,,,,,,,,
100.079.326,287-289-9,85455-53-4,1-(butylamino)-4-[(2-ethylhexyl)amino]anthraquinone,"1-(butylamino)-4-[(2-ethylhexyl)amino]-9,10-anthraquinone",CCCCNc1ccc(NCC(CC)CCCC)c2C(=O)c3ccccc3C(=O)c12,CCCCNc1ccc(NCC(CC)CCCC)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C26H34N2O2/c1-4-7-11-18(6-3)17-28-22-15-14-21(27-16-8-5-2)23-24(22)26(30)20-13-10-9-12-19(20)25(23)29/h9-10,12-15,18,27-28H,4-8,11,16-17H2,1-3H3",C26H34N2O2,,,,,,QXAKJXZXSHFUGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.329,287-293-0,85455-57-8,Sodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-(2-naphthylazo)naphthalene-2-sulphonate,sodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-(2-naphthyldiazenyl)naphthalene-2-sulfonate,[Na+].Nc1cccc(c1)C(=O)Nc2ccc5c(c2)cc(c(N=Nc3cc4ccccc4cc3)c5O)S([O-])(=O)=O,[Na+].Nc1cccc(c1)C(=O)Nc2ccc5c(c2)cc(c(N=Nc3cc4ccccc4cc3)c5O)S([O-])(=O)=O,"InChI=1/C27H20N4O5S.Na/c28-20-7-3-6-18(12-20)27(33)29-21-10-11-23-19(14-21)15-24(37(34,35)36)25(26(23)32)31-30-22-9-8-16-4-1-2-5-17(16)13-22;/h1-15,32H,28H2,(H,29,33)(H,34,35,36);/q;+1/p-1",C27H20N4O5S.Na,,,,,,UTIABOMNTOOGDI-UHFFFAOYSA-M,,,,,,,,,,,
100.079.330,287-294-6,85455-58-9,"Trisodium 7-[[4-chloro-6-[phenyl(sulphonatomethyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate","trisodium 7-({4-chloro-6-[phenyl(sulfonatomethyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CS([O-])(=O)=O)c5ccccc5,[Na+].[Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(n4)N(CS([O-])(=O)=O)c5ccccc5,"InChI=1/C27H22ClN7O10S3.3Na/c1-15-7-10-20(21(11-15)47(40,41)42)33-34-23-22(48(43,44)45)13-16-12-17(8-9-19(16)24(23)36)29-26-30-25(28)31-27(32-26)35(14-46(37,38)39)18-5-3-2-4-6-18;;;/h2-13,36H,14H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",C27H22ClN7O10S3.3Na,,,,,,LSRKOPSOXHHRGR-UHFFFAOYSA-K,,,,,,,,,,,
100.079.336,287-300-7,85455-66-9,2-thienylmethyl benzoate,2-thienylmethyl benzoate,O=C(OCc1cccs1)c2ccccc2,O=C(OCc1cccs1)c2ccccc2,"InChI=1/C12H10O2S/c13-12(10-5-2-1-3-6-10)14-9-11-7-4-8-15-11/h1-8H,9H2",C12H10O2S,,,,,,QFKZQXHPVSHDMJ-UHFFFAOYSA-N,,,,,,,,,,,
100.079.341,287-305-4,85455-71-6,Sodium 3-hydroxy-4-[(2-hydroxyphenyl)methyl]naphthalenesulphonate,sodium 3-hydroxy-4-(2-hydroxybenzyl)naphthalene-1-sulfonate,[Na+].Oc1ccccc1Cc2c(O)cc(c3ccccc23)S(=O)(=O)[O-],[Na+].Oc1ccccc1Cc2c(O)cc(c3ccccc23)S(=O)(=O)[O-],"InChI=1/C17H14O5S.Na/c18-15-8-4-1-5-11(15)9-14-12-6-2-3-7-13(12)17(10-16(14)19)23(20,21)22;/h1-8,10,18-19H,9H2,(H,20,21,22);/q;+1/p-1",C17H14O5S.Na,,,,,,VRBSMDAVVGUERI-UHFFFAOYSA-M,,,,,,,,,,,
100.077.876,285-694-5,85118-39-4,"1,3-dimethylbutyl 2-ethylhexanoate","1,3-dimethylbutyl 2-ethylhexanoate",CCCCC(CC)C(=O)OC(C)CC(C)C,CCCCC(CC)C(=O)OC(C)CC(C)C,"InChI=1/C14H28O2/c1-6-8-9-13(7-2)14(15)16-12(5)10-11(3)4/h11-13H,6-10H2,1-5H3",C14H28O2,,,,,,YUSDQWVZOMAKLP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.457,303-950-7,94232-24-3,"Sodium 4-[[4-[[(2,6-dimethoxypyrimidin-4-yl)amino]sulphonyl]phenyl]amino]-4-oxoisocrotonate","sodium 4-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}amino)-4-oxobut-2-enoate",[Na+].COc1cc(NS(=O)(=O)c2ccc(NC(=O)\\C=C/C(=O)[O-])cc2)nc(OC)n1,[Na+].COc1cc(NS(=O)(=O)c2ccc(NC(=O)\C=C/C(=O)[O-])cc2)nc(OC)n1,"InChI=1/C16H16N4O7S.Na/c1-26-14-9-12(18-16(19-14)27-2)20-28(24,25)11-5-3-10(4-6-11)17-13(21)7-8-15(22)23;/h3-9H,1-2H3,(H,17,21)(H,22,23)(H,18,19,20);/q;+1/p-1",C16H16N4O7S.Na,,,,,,IFEIDRGLYNQWDO-CFYXSCKTSA-M,,,,,,,,,,,
100.094.469,303-963-8,94232-36-7,Sodium 4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulphonate,sodium 4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonate,[Na+].Oc1cc(cc2cc(NC(=O)c3cccc(c3)[N+](=O)[O-])ccc12)S(=O)(=O)[O-],[Na+].Oc1cc(cc2cc(NC(=O)c3cccc(c3)[N+](=O)[O-])ccc12)S(=O)(=O)[O-],"InChI=1/C17H12N2O7S.Na/c20-16-9-14(27(24,25)26)8-11-6-12(4-5-15(11)16)18-17(21)10-2-1-3-13(7-10)19(22)23;/h1-9,20H,(H,18,21)(H,24,25,26);/q;+1/p-1",C17H12N2O7S.Na,,,,,,JPZIWFKHPVTCGO-UHFFFAOYSA-M,,,,,,,,,,,
100.062.617,268-899-4,68153-95-7,"Amines, di-C12-18-alkyl",N-pentadecylpentadecan-1-amine,CCCCCCCCCCCCCCCNCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCNCCCCCCCCCCCCCCC,"InChI=1/C30H63N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/5365,https://echa.europa.eu/substance-information/-/substanceinfo/100.062.617,YDFFPEXFCAUTSL-UHFFFAOYSA-N,,,,,,,,,,,
100.063.548,269-924-1,68391-05-9,"Quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides","N,N-dimethyl-N-tetradecyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC,"InChI=1/C30H64N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11882,https://echa.europa.eu/substance-information/-/substanceinfo/100.063.548,RSHHCURRBLAGFA-UHFFFAOYSA-M,,,,,,,,,,,
100.065.341,271-897-6,68611-55-2,"Sulfuric acid, mono-C10-16-alkyl esters",tridecyl hydrogen sulfate,CCCCCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCCCCOS(=O)(=O)O,"InChI=1/C13H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H,14,15,16)",-,,,,,,QTUIJRIDZOSXHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.883,272-492-7,68855-58-3,"Alkenes, C10-16 a-",tetradec-1-ene,CCCCCCCCCCCCC=C,CCCCCCCCCCCCC=C,"InChI=1/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3",-,,,,,,HFDVRLIODXPAHB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.671,270-059-7,68409-73-4,"Aromatic hydrocarbons, biphenyl-rich",biphenyl,c1ccc(cc1)c2ccccc2,c1ccc(cc1)c2ccccc2,InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,-,,,,,,ZUOUZKKEUPVFJK-UHFFFAOYSA-N,,,,,,,,,,,
100.065.259,271-807-5,68608-88-8,"Benzenesulfonic acid, mono-C11-13-branched alkyl derivs.","4-(1,3,5,7-tetramethyloctyl)benzenesulfonic acid",CC(C)CC(C)CC(C)CC(C)c1ccc(cc1)S(=O)(=O)O,CC(C)CC(C)CC(C)CC(C)c1ccc(cc1)S(=O)(=O)O,"InChI=1/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13546,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.259,SRIYDGQCJPZPPK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.993,303-438-3,94199-65-2,"Oleic acid, compound with 3-[2-[2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazol-1-yl]ethoxy]propionic acid (1:1)","3-[2-(2-heptadec-8-en-1-yl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propanoic acid - octadec-9-enoic acid (1:1)",CCCCCCCC\\C=C/CCCCCCCC(O)=O.OC(=O)CCOCCN1CC\\N=C1\\CCCCCCCC=CCCCCCCCC,CCCCCCCC\C=C/CCCCCCCC(O)=O.OC(=O)CCOCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC,"InChI=1/C25H46N2O3.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-23H2,1H3,(H,28,29);9-10H,2-8,11-17H2,1H3,(H,19,20)",C25H46N2O3.C18H34O2,,,,,,PGIBZZOLUCEVQW-SVMKZPJVSA-N,,,,,,,,,,,
100.094.128,303-587-4,94201-06-6,"Methyl 3-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)acrylate","methyl 3-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)acrylate",COC(=O)\\C=C\\C1C(=CCC(C)C1(C)C)C,COC(=O)\C=C\C1C(=CCC(C)C1(C)C)C,"InChI=1/C14H22O2/c1-10-6-7-11(2)14(3,4)12(10)8-9-13(15)16-5/h6,8-9,11-12H,7H2,1-5H3",C14H22O2,,,,,,SGYGXBFZOVLTCS-CMDGGOBGSA-N,,,,,,,,,,,
100.094.142,303-604-5,94201-20-4,"3,7,7,9-tetramethyl-1-oxaspiro[4.5]decan-2-one","3,7,7,9-tetramethyl-1-oxaspiro[4.5]decan-2-one",CC1CC(C)(C)CC2(C1)CC(C)C(=O)O2,CC1CC(C)(C)CC2(C1)CC(C)C(=O)O2,"InChI=1/C13H22O2/c1-9-5-12(3,4)8-13(6-9)7-10(2)11(14)15-13/h9-10H,5-8H2,1-4H3",C13H22O2,,,,,,YSTZSVSNXHMVAV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.143,303-605-0,94201-21-5,"1a,2,4,5,6,6a,7,7a-octahydro-1,1,6,6a-tetramethyl-1H-cyclopropa[b]naphthalen-4-yl acetate","1,1,6,6a-tetramethyl-1a,2,4,5,6,6a,7,7a-octahydro-1H-cyclopropa[b]naphthalen-4-yl acetate",CC1CC(OC(=O)C)C=C2CC3C(CC12C)C3(C)C,CC1CC(OC(=O)C)C=C2CC3C(CC12C)C3(C)C,"InChI=1/C17H26O2/c1-10-6-13(19-11(2)18)7-12-8-14-15(16(14,3)4)9-17(10,12)5/h7,10,13-15H,6,8-9H2,1-5H3",C17H26O2,,,,,,CBLNQIJEORRXGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.144,303-606-6,94201-22-6,1-methoxyundecane-3-thiol,1-methoxyundecane-3-thiol,CCCCCCCCC(S)CCOC,CCCCCCCCC(S)CCOC,"InChI=1/C12H26OS/c1-3-4-5-6-7-8-9-12(14)10-11-13-2/h12,14H,3-11H2,1-2H3",C12H26OS,,,,,,HUUJQDFMPMNKGP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.151,303-613-4,94201-29-3,"a,3,5,5-tetramethylcyclopent-1-ene-1-propionaldehyde","2-methyl-3-(3,5,5-trimethylcyclopent-1-en-1-yl)propanal",CC(CC1=CC(C)CC1(C)C)C=O,CC(CC1=CC(C)CC1(C)C)C=O,"InChI=1/C12H20O/c1-9-5-11(6-10(2)8-13)12(3,4)7-9/h5,8-10H,6-7H2,1-4H3",C12H20O,,,,,,XEDQNLKJECJKGT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.158,303-621-8,94201-36-2,"1,3-nonadien-1-ylthiirane","2-nona-1,3-dien-1-ylthiirane",CCCCCC=CC=CC1CS1,CCCCCC=CC=CC1CS1,"InChI=1/C11H18S/c1-2-3-4-5-6-7-8-9-11-10-12-11/h6-9,11H,2-5,10H2,1H3",C11H18S,,,,,,BZDBQPPCPHHOCH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.167,303-631-2,94201-45-3,2-[[(cyclohexylamino)carbonyl]oxy]ethyl methacrylate,2-[(cyclohexylcarbamoyl)oxy]ethyl methacrylate,CC(=C)C(=O)OCCOC(=O)NC1CCCCC1,CC(=C)C(=O)OCCOC(=O)NC1CCCCC1,"InChI=1/C13H21NO4/c1-10(2)12(15)17-8-9-18-13(16)14-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,14,16)",C13H21NO4,,,,,,MPKBVHZWUVHGGN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.169,303-633-3,94201-47-5,2-(dimethylamino)ethyl 3-[2-(vinyloxy)ethoxy]isobutyrate,2-(dimethylamino)ethyl 2-methyl-3-[2-(vinyloxy)ethoxy]propanoate,CC(COCCOC=C)C(=O)OCCN(C)C,CC(COCCOC=C)C(=O)OCCN(C)C,"InChI=1/C12H23NO4/c1-5-15-8-9-16-10-11(2)12(14)17-7-6-13(3)4/h5,11H,1,6-10H2,2-4H3",C12H23NO4,,,,,,YLKWAHLUPYJYQF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.172,303-637-5,94201-50-0,Sodium 1-(1-cyclohexen-1-yl)-5-ethylbarbiturate,"sodium 1-cyclohex-1-en-1-yl-5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1C(=O)N=C([O-])N(C2=CCCCC2)C1=O,[Na+].CCC1C(=O)N=C([O-])N(C2=CCCCC2)C1=O,"InChI=1/C12H16N2O3.Na/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;/h6,9H,2-5,7H2,1H3,(H,13,15,17);/q;+1/p-1",C12H16N2O3.Na,,,,,,RKVKFVQTWSKNSA-UHFFFAOYSA-M,,,,,,,,,,,
100.094.173,303-638-0,94201-51-1,"Sodium 1-(1-cyclohexen-1-yl)-5,5-diethylbarbiturate","sodium 1-cyclohex-1-en-1-yl-5,5-diethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1(CC)C(=O)N=C([O-])N(C2=CCCCC2)C1=O,[Na+].CCC1(CC)C(=O)N=C([O-])N(C2=CCCCC2)C1=O,"InChI=1/C14H20N2O3.Na/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10;/h8H,3-7,9H2,1-2H3,(H,15,17,19);/q;+1/p-1",C14H20N2O3.Na,,,,,,FLWNXIIDIFHPFK-UHFFFAOYSA-M,,,,,,,,,,,
100.094.178,303-643-8,94201-56-6,"N-(hexahydro-2,4-dioxo-5-pyrimidinyl)formamide","N-(2,4-dioxohexahydropyrimidin-5-yl)formamide",O=CNC1CNC(=O)NC1=O,O=CNC1CNC(=O)NC1=O,"InChI=1/C5H7N3O3/c9-2-7-3-1-6-5(11)8-4(3)10/h2-3H,1H2,(H,7,9)(H2,6,8,10,11)",C5H7N3O3,,,,,,MDYKHCIVCWSONE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.183,303-649-0,94201-61-3,"2-ethyl-2-(hydroxymethyl)propane-1,3-diyl didocosanoate",2-[(docosanoyloxy)methyl]-2-(hydroxymethyl)butyl docosanoate (non-preferred name),CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C50H98O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-48(52)54-46-50(6-3,45-51)47-55-49(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h51H,4-47H2,1-3H3",C50H98O5,,,,,,FZRXTKKJZHXPKW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.191,303-657-4,94201-69-1,"3,5,8-trimethylnon-7-ene-2,4-dione","3,5,8-trimethylnon-7-ene-2,4-dione",CC(CC=C(C)C)C(=O)C(C)C(=O)C,CC(CC=C(C)C)C(=O)C(C)C(=O)C,"InChI=1/C12H20O2/c1-8(2)6-7-9(3)12(14)10(4)11(5)13/h6,9-10H,7H2,1-5H3",C12H20O2,,,,,,UQFBGHSPOHCDIM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.205,303-673-1,94201-83-9,"1,3-bis[2-(dimethylamino)phenyl]urea","1,3-bis[2-(dimethylamino)phenyl]urea",CN(C)c1ccccc1NC(=O)Nc2ccccc2N(C)C,CN(C)c1ccccc1NC(=O)Nc2ccccc2N(C)C,"InChI=1/C17H22N4O/c1-20(2)15-11-7-5-9-13(15)18-17(22)19-14-10-6-8-12-16(14)21(3)4/h5-12H,1-4H3,(H2,18,19,22)",C17H22N4O,,,,,,ABIBJGOSWOUGGV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.886,285-704-8,85135-83-7,(9S)-9-hydroxy-6'-methoxycinchonanium nitrite,6'-methoxycinchonan-1-ium-9-ol nitrite,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-]N=O,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-]N=O,"InChI=1/C20H24N2O2.HNO2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H,2,3)",C20H24N2O2.HNO2,,,,,,IGBWEAYXACATJW-VJAUXQICSA-N,,,,,,,,,,,
100.077.888,285-706-9,85135-86-0,"(8a,9R)-6'-methoxycinchonan-9-ol, compound with 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate (2:1)",2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate - 6'-methoxycinchonan-9-ol (1:2),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.OCC(CO)OP(=O)(O)O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.OCC(CO)OP(=O)(O)O,"InChI=1/2C20H24N2O2.C3H9O6P/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;4-1-3(2-5)9-10(6,7)8/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-5H,1-2H2,(H2,6,7,8)",C20H24N2O2.1/2C3H9O6P,,,,,,WIGIXSBCSSPGJZ-VMJVVOMYSA-N,,,,,,,,,,,
100.077.900,285-720-5,85135-98-4,Sodium 5-amino-2-(4-aminoanilino)benzenesulphonate,sodium 5-amino-2-[(4-aminophenyl)amino]benzenesulfonate,[Na+].Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)[O-])cc1,[Na+].Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)[O-])cc1,"InChI=1/C12H13N3O3S.Na/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18;/h1-7,15H,13-14H2,(H,16,17,18);/q;+1/p-1",C12H13N3O3S.Na,,,,,,BAOTVSQSLNDVSF-UHFFFAOYSA-M,,,,,,,,,,,
100.077.902,285-722-6,85136-00-1,"7-[4,5-dihydro-4-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-hydroxynaphthalene-2-sulphonic acid","4-hydroxy-7-{4-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}naphthalene-2-sulfonic acid",OS(=O)(=O)c4cc(N=NC3C(\\C)=N/N(c1ccc2c(c1)cc(cc2O)S(O)(=O)=O)C3=O)c(O)c(c4)[N+]([O-])=O,OS(=O)(=O)c4cc(N=NC3C(\C)=N/N(c1ccc2c(c1)cc(cc2O)S(O)(=O)=O)C3=O)c(O)c(c4)[N+]([O-])=O,"InChI=1/C20H15N5O11S2/c1-9-18(22-21-15-6-13(38(34,35)36)7-16(19(15)27)25(29)30)20(28)24(23-9)11-2-3-14-10(4-11)5-12(8-17(14)26)37(31,32)33/h2-8,18,26-27H,1H3,(H,31,32,33)(H,34,35,36)",C20H15N5O11S2,,,,,,JIXGILGRJFRWNU-UHFFFAOYSA-N,,,,,,,,,,,
100.077.905,285-725-2,85136-03-4,Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate,sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate,[Na+].[O-][N+](=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2S(=O)(=O)[O-],[Na+].[O-][N+](=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2S(=O)(=O)[O-],"InChI=1/C12H7Cl2NO6S.Na/c13-7-1-3-10(9(5-7)15(16)17)21-11-4-2-8(14)6-12(11)22(18,19)20;/h1-6H,(H,18,19,20);/q;+1/p-1",C12H7Cl2NO6S.Na,,,,,,RGFPHNXKJYUZFG-UHFFFAOYSA-M,,,,,,,,,,,
100.077.909,285-729-4,85136-07-8,"2,4-diethylhepta-2,6-dienal","2,4-diethylhepta-2,6-dienal",CCC(=CC(CC)CC=C)C=O,CCC(=CC(CC)CC=C)C=O,"InChI=1/C11H18O/c1-4-7-10(5-2)8-11(6-3)9-12/h4,8-10H,1,5-7H2,2-3H3",C11H18O,,,,,,QAFGEOHWEQLURJ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.911,285-732-0,85136-09-0,"2,4,5-trimethylhepta-2,6-dienal","2,4,5-trimethylhepta-2,6-dienal",CC(C=C(C)C=O)C(C)C=C,CC(C=C(C)C=O)C(C)C=C,"InChI=1/C10H16O/c1-5-9(3)10(4)6-8(2)7-11/h5-7,9-10H,1H2,2-4H3",C10H16O,,,,,,JPZHEFRWMYVYQE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.913,285-734-1,85136-11-4,Isopropyl 5-oxo-DL-prolinate,isopropyl 5-oxo-L-prolinate,CC(C)OC(=O)[C@@H]1CCC(=O)N1,CC(C)OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C8H13NO3/c1-5(2)12-8(11)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)",C8H13NO3,,,,,,IZHXNBPKBCUDOZ-LURJTMIESA-N,,,,,,,,,,,
100.077.918,285-739-9,85136-16-9,"5-oxo-DL-proline, compound with 2-(dimethylamino)ethanol (1:1)",5-oxo-L-proline - 2-(dimethylamino)ethanol (1:1),CN(C)CCO.OC(=O)[C@@H]1CCC(=O)N1,CN(C)CCO.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.C4H11NO/c7-4-2-1-3(6-4)5(8)9;1-5(2)3-4-6/h3H,1-2H2,(H,6,7)(H,8,9);6H,3-4H2,1-2H3",C5H7NO3.C4H11NO,,,,,,DAEHWWVKPWBXGD-DFWYDOINSA-N,,,,,,,,,,,
100.077.938,285-761-9,85136-37-4,"2-(2-cyclohexylethyl)-1,3-dioxolane","2-(2-cyclohexylethyl)-1,3-dioxolane",C(CC1OCCO1)C2CCCCC2,C(CC1OCCO1)C2CCCCC2,"InChI=1/C11H20O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h10-11H,1-9H2",C11H20O2,,,,,,VHRVDEZBJOARMF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.949,285-773-4,85136-50-1,Ethyl 4-[(2-hydroxy-1-naphthyl)azo]-3-nitrobenzoate,ethyl 4-[(2-hydroxy-1-naphthyl)diazenyl]-3-nitrobenzoate,CCOC(=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(c3)[N+]([O-])=O,CCOC(=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(c3)[N+]([O-])=O,"InChI=1/C19H15N3O5/c1-2-27-19(24)13-7-9-15(16(11-13)22(25)26)20-21-18-14-6-4-3-5-12(14)8-10-17(18)23/h3-11,23H,2H2,1H3",C19H15N3O5,,,,,,KIHXVGLHHYYKOV-UHFFFAOYSA-N,,,,,,,,,,,
100.077.950,285-775-5,85136-51-2,"4-[(2-bromo-4,6-dinitrophenyl)azo]-N-phenylnaphthalen-1-amine","4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-phenylnaphthalen-1-amine",Brc4cc(cc([N+]([O-])=O)c4N=Nc3ccc(Nc1ccccc1)c2ccccc23)[N+]([O-])=O,Brc4cc(cc([N+]([O-])=O)c4N=Nc3ccc(Nc1ccccc1)c2ccccc23)[N+]([O-])=O,"InChI=1/C22H14BrN5O4/c23-18-12-15(27(29)30)13-21(28(31)32)22(18)26-25-20-11-10-19(16-8-4-5-9-17(16)20)24-14-6-2-1-3-7-14/h1-13,24H",C22H14BrN5O4,,,,,,ILEHDMKLLRFNTR-UHFFFAOYSA-N,,,,,,,,,,,
100.061.870,268-077-5,68002-63-1,"Quaternary ammonium compounds, C14-18-alkyltrimethyl, chlorides","N,N,N-trimethylhexadecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C,[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1",-,,,,,,WOWHHFRSBJGXCM-UHFFFAOYSA-M,,,,,,,,,,,
100.036.697,240-383-3,16291-96-6,Charcoal,methane,[C],[C],InChI=1/CH4/h1H4,-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15550,https://echa.europa.eu/substance-information/-/substanceinfo/100.036.697,OKTJSMMVPCPJKN-UHFFFAOYSA-N,,,,,,,,,,,
100.014.114,215-524-7,1328-53-6,Polychloro copper phthalocyanine,"[1,2,3,4,8,9,10,11,15,16,17,18,22,23,25-pentadecachloro-5,26-dihydro-29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper",Clc1cc(Cl)c2C3N=C(\\N=C\\4/N5[Cu]N6C(\\N=C\\7/N=C(\\N=C/5\\c8c(Cl)c(Cl)c(Cl)c(Cl)c48)c9c(Cl)c(Cl)c(Cl)c(Cl)c79)c%10c(Cl)c(Cl)c(Cl)c(Cl)c%10/C/6=N/3)c2c1Cl,Clc1cc(Cl)c2C3N=C(\N=C\4/N5[Cu]N6C(\N=C\7/N=C(\N=C/5\c8c(Cl)c(Cl)c(Cl)c(Cl)c48)c9c(Cl)c(Cl)c(Cl)c(Cl)c79)c%10c(Cl)c(Cl)c(Cl)c(Cl)c%10/C/6=N/3)c2c1Cl,"InChI=1/C32H3Cl15N8.Cu/c33-2-1-3(34)12(35)5-4(2)25-48-26(5)50-28-8-9(16(39)22(45)21(44)15(8)38)30(52-28)54-32-11-10(17(40)23(46)24(47)18(11)41)31(55-32)53-29-7-6(27(49-25)51-29)13(36)19(42)20(43)14(7)37;/h1,25,29H;/q-2;+2/rC32H3Cl15CuN8/c33-2-1-3(34)12(35)5-4(2)25-49-26(5)52-30-10-11(18(41)24(47)23(46)17(10)40)32-54-28-7-6(13(36)19(42)20(43)14(7)37)27(50-28)53-31-9-8(15(38)21(44)22(45)16(9)39)29(51-25)55(31)48-56(30)32/h1,25,31H",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15380,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.114,BWWFBQOKGNVMQO-UHFFFAOYSA-N,,,,,,,,,,,
100.029.394,232-336-0,8005-30-9,"Bis-benzimid-azo-benzo[lmn][3,8]phenanthrolinedione, dichloro-","3,12-dichlorobisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione",Clc1ccc2nc3c4ccc5c6nc7ccc(Cl)cc7n6C(=O)c8ccc(C(=O)n3c2c1)c4c58,Clc1ccc2nc3c4ccc5c6nc7ccc(Cl)cc7n6C(=O)c8ccc(C(=O)n3c2c1)c4c58,InChI=1/C26H10Cl2N4O2/c27-11-1-7-17-19(9-11)31-23(29-17)13-3-4-14-22-16(6-5-15(21(13)22)25(31)33)26(34)32-20-10-12(28)2-8-18(20)30-24(14)32/h1-10H,C26H10Cl2N4O2,,,,,,NHVRYPRPUHOVMR-UHFFFAOYSA-N,,,,,,,,,,,
100.029.552,232-520-0,6/02/9000,Amber,"2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide",COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1,COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1,"InChI=1/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)",-,,,,,,XOPFESVZMSQIKC-UHFFFAOYSA-N,,,,,,,,,,,
100.014.321,215-753-2,1401-55-4,Tannins,"1,3,6-tris-O-(3,4,5-trihydroxybenzoyl)hexopyranose",OC1C(COC(=O)c2cc(O)c(O)c(O)c2)OC(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C1OC(=O)c4cc(O)c(O)c(O)c4,OC1C(COC(=O)c2cc(O)c(O)c(O)c2)OC(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C1OC(=O)c4cc(O)c(O)c(O)c4,"InChI=1/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2",-,,,,,,RNKMOGIPOMVCHO-UHFFFAOYSA-N,,,,,,,,,,,
100.066.578,273-257-1,68955-19-1,"Sulfuric acid, mono-C12-18-alkyl esters, sodium salts",sodium pentadecyl sulfate,[Na+].CCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C15H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15009,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.578,SMECTXYFLVLAJE-UHFFFAOYSA-M,,,,,,,,,,,
100.066.579,273-258-7,68955-20-4,"Sulfuric acid, mono-C16-18-alkyl esters, sodium salts",sodium heptadecyl sulfate,[Na+].CCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C17H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11581,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.579,HHURSJAUVYNJBT-UHFFFAOYSA-M,,,,,,,,,,,
100.094.210,303-678-9,94201-88-4,m-[5-(methylthio)-1H-tetrazol-1-yl]phenol,3-[5-(methylsulfanyl)-1H-tetrazol-1-yl]phenol,CSc1nnnn1c2cccc(O)c2,CSc1nnnn1c2cccc(O)c2,"InChI=1/C8H8N4OS/c1-14-8-9-10-11-12(8)6-3-2-4-7(13)5-6/h2-5,13H,1H3",C8H8N4OS,,,,,,CACHDMAEKVFSIA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.214,303-683-6,94201-92-0,"5-oxo-L-proline, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)","5-oxo-L-proline - 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (1:1)",CN1C(=O)N(C)c2[nH]cnc2C1=O.OC(=O)[C@@H]3CCC(=O)N3,CN1C(=O)N(C)c2[nH]cnc2C1=O.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C7H8N4O2.C5H7NO3/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-4-2-1-3(6-4)5(8)9/h3H,1-2H3,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)",C7H8N4O2.C5H7NO3,,,,,,KRQKQCIGPPVIOK-HVDRVSQOSA-N,,,,,,,,,,,
100.094.216,303-685-7,94201-94-2,Ethyl acetoxyethoxyacetate,ethyl acetoxy(ethoxy)acetate,CCOC(OC(=O)C)C(=O)OCC,CCOC(OC(=O)C)C(=O)OCC,"InChI=1/C8H14O5/c1-4-11-7(10)8(12-5-2)13-6(3)9/h8H,4-5H2,1-3H3",C8H14O5,,,,,,IIONVQYOSHFUAE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.220,303-689-9,94201-98-6,"4,5-dihydroxy-1,3-dioctadecylimidazolidin-2-one","4,5-dihydroxy-1,3-dioctadecylimidazolidin-2-one",CCCCCCCCCCCCCCCCCCN1C(O)C(O)N(CCCCCCCCCCCCCCCCCC)C1=O,CCCCCCCCCCCCCCCCCCN1C(O)C(O)N(CCCCCCCCCCCCCCCCCC)C1=O,"InChI=1/C39H78N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37(42)38(43)41(39(40)44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,42-43H,3-36H2,1-2H3",C39H78N2O3,,,,,,SCNNOKZJJRXMQA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.222,303-692-5,94202-00-3,Triammonium hydrogen [(dodecylimino)bis(methylene)]bisphosphonate,triammonium hydrogen [(dodecylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C14H33NO6P2.3H3N/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);3*1H3/p-1",C14H33NO6P2.3H3N,,,,,,JNLGOFDIHZYRPL-UHFFFAOYSA-M,,,,,,,,,,,
100.094.223,303-693-0,94202-01-4,Triammonium hydrogen [(tetradecylimino)bis(methylene)]diphosphonate,triammonium hydrogen [(tetradecylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.3H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);3*1H3/p-1",C16H37NO6P2.3H3N,,,,,,MJUYFNHMZWLUGQ-UHFFFAOYSA-M,,,,,,,,,,,
100.094.226,303-696-7,94202-04-7,Tetraammonium [(butylimino)bis(methylene)]bisphosphonate,tetraammonium [(butylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.4H3N/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);4*1H3",C6H17NO6P2.4H3N,,,,,,AIEOQRSNYBZOFK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.230,303-700-7,94202-08-1,Tetraammonium [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate,tetraammonium {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.4H3N/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);4*1H3",C10H25NO6P2.4H3N,,,,,,DQBPHDYPCHNJSD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.235,303-705-4,94202-13-8,"4-methyl-2-(phenoxymethyl)-1,3-dioxane","4-methyl-2-(phenoxymethyl)-1,3-dioxane",CC1CCOC(COc2ccccc2)O1,CC1CCOC(COc2ccccc2)O1,"InChI=1/C12H16O3/c1-10-7-8-13-12(15-10)9-14-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3",C12H16O3,,,,,,ACCCAQVFLWDUTB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.237,303-708-0,94202-15-0,4-(3-oxobutyl)phenyl valerate,4-(3-oxobutyl)phenyl valerate,CCCCC(=O)Oc1ccc(CCC(=O)C)cc1,CCCCC(=O)Oc1ccc(CCC(=O)C)cc1,"InChI=1/C15H20O3/c1-3-4-5-15(17)18-14-10-8-13(9-11-14)7-6-12(2)16/h8-11H,3-7H2,1-2H3",C15H20O3,,,,,,VULZZNWKMGTYEE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.241,303-712-2,94202-19-4,"5-hydroxy-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","5-hydroxy-1,3-phenylene bis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",Oc1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c1,Oc1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c1,"InChI=1/C26H14N4O9S2/c27-29-21-9-7-17-19(25(21)32)3-1-5-23(17)40(34,35)38-15-11-14(31)12-16(13-15)39-41(36,37)24-6-2-4-20-18(24)8-10-22(30-28)26(20)33/h1-13,31H",C26H14N4O9S2,,,,,,UNXLOPQTSRAANK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.247,303-719-0,94213-17-9,"4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carbohydrazide","5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide",NNC(=O)C1=NN(C(=O)C1)c2ccccc2,NNC(=O)C1=NN(C(=O)C1)c2ccccc2,"InChI=1/C10H10N4O2/c11-12-10(16)8-6-9(15)14(13-8)7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,16)",C10H10N4O2,,,,,,DITKFGSJTHKTSO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.379,303-863-4,94231-46-6,"Octahydro-2-(4-methoxybutyl)-4,7-methano-1H-inden-2-ol","2-(4-methoxybutyl)octahydro-1H-4,7-methanoinden-2-ol",COCCCCC1(O)CC2C3CCC(C3)C2C1,COCCCCC1(O)CC2C3CCC(C3)C2C1,"InChI=1/C15H26O2/c1-17-7-3-2-6-15(16)9-13-11-4-5-12(8-11)14(13)10-15/h11-14,16H,2-10H2,1H3",C15H26O2,,,,,,PBMHFJBOPZVADA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.725,305-344-8,94442-18-9,"4,4''-(3H-2,1-benzoxathiol-3-ylidene)bis[[1,1'-biphenyl]-2-ol] S,S-dioxide","4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)dibiphenyl-2-ol",Oc1cc(ccc1c2ccccc2)C3(OS(=O)(=O)c4ccccc34)c5ccc(c(O)c5)c6ccccc6,Oc1cc(ccc1c2ccccc2)C3(OS(=O)(=O)c4ccccc34)c5ccc(c(O)c5)c6ccccc6,"InChI=1/C31H22O5S/c32-28-19-23(15-17-25(28)21-9-3-1-4-10-21)31(27-13-7-8-14-30(27)37(34,35)36-31)24-16-18-26(29(33)20-24)22-11-5-2-6-12-22/h1-20,32-33H",C31H22O5S,,,,,,VYWRHJRBZGVGCI-UHFFFAOYSA-N,,,,,,,,,,,
100.099.022,308-984-6,99573-82-7,Disilver tetrasodium tris(thiosulphate),disilver tetrasodium tris(thiosulphate),[Na+].[Na+].[Na+].[Na+].[Ag+].[Ag+].[O-]S(=O)(=O)[S-].[O-]S(=O)(=O)[S-].[O-]S(=O)(=O)[S-],[Na+].[Na+].[Na+].[Na+].[Ag+].[Ag+].[O-]S(=O)(=O)[S-].[O-]S(=O)(=O)[S-].[O-]S(=O)(=O)[S-],"InChI=1/2Ag.4Na.3H2O3S2/c;;;;;;3*1-5(2,3)4/h;;;;;;3*(H2,1,2,3,4)/q6*+1;;;/p-6",Ag.3/2H2O3S2.2Na,,,,,,JYKFBCGIERJNLU-UHFFFAOYSA-H,,,,,,,,,,,
100.099.024,308-986-7,99573-84-9,"3-[[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]tetrahydro-2H-pyran-2-one","3-{[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl}tetrahydro-2H-pyran-2-one",NCCN1CCN=C1CC2CCCOC2=O,NCCN1CCN=C1CC2CCCOC2=O,"InChI=1/C11H19N3O2/c12-3-5-14-6-4-13-10(14)8-9-2-1-7-16-11(9)15/h9H,1-8,12H2",C11H19N3O2,,,,,,LKRSUEODZDWQAF-UHFFFAOYSA-N,,,,,,,,,,,
100.099.033,308-996-1,99670-23-2,Aluminium magnesium silicate(2:3:8),aluminium magnesium silicate(2:3:8),[MgH2].[MgH2].[MgH2].[AlH3].[AlH3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],[MgH2].[MgH2].[MgH2].[AlH3].[AlH3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-],InChI=1/2Al.3Mg.8O3Si.12H/c;;;;;8*1-4(2)3;;;;;;;;;;;;/q2*+3;3*+2;8*-2;;;;;;;;;;;;/r2AlH3.3H2Mg.8O3Si/c;;;;;8*1-4(2)3/h2*1H3;3*1H2;;;;;;;;/q2*+3;3*+2;8*-2,Al.4H4O4Si.3/2Mg,,,,,,SIHKNVKQILNBHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.099.039,309-002-9,99670-29-8,"Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, compound with 2-aminoethanol (1:1)","bis(16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl) hydrogen phosphate - 2-aminoethanol (1:1)",NCCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,NCCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,"InChI=1/C34H55O14P.C2H7NO/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;3-1-2-4/h1-10H,11-32H2,(H,35,36);4H,1-3H2",C34H55O14P.C2H7NO,,,,,,DCWVWKLSXLYWJJ-UHFFFAOYSA-N,,,,,,,,,,,
100.099.041,309-005-5,99670-31-2,"Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, compound with 2,2',2''-nitrilotri[ethanol] (1:1)","bis(16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl) hydrogen phosphate - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,OCCN(CCO)CCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2,"InChI=1/C34H55O14P.C6H15NO3/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;8-4-1-7(2-5-9)3-6-10/h1-10H,11-32H2,(H,35,36);8-10H,1-6H2",C34H55O14P.C6H15NO3,,,,,,JPZNPITYWQYVBL-UHFFFAOYSA-N,,,,,,,,,,,
100.099.044,309-008-1,99688-42-3,"Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, compound with morpholine (1:1)","bis(16-phenyl-3,6,9,12,15-pentaoxahexadec-1-yl) hydrogen phosphate - morpholine (1:1)",OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2.C3COCCN3,OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2.C3COCCN3,"InChI=1/C34H55O14P.C4H9NO/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;1-3-6-4-2-5-1/h1-10H,11-32H2,(H,35,36);5H,1-4H2",C34H55O14P.C4H9NO,,,,,,IBPZMFPHIBFRKT-UHFFFAOYSA-N,,,,,,,,,,,
100.096.836,306-571-5,97337-77-4,"1-benzyl-4,5-dihydro-1-[2-[(1-oxotetradecyl)amino]ethyl]-2-tridecyl-1H-imidazolium chloride","1-benzyl-1-[2-(tetradecanoylamino)ethyl]-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium chloride",[Cl-].CCCCCCCCCCCCCC(=O)NCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCCCC,[Cl-].CCCCCCCCCCCCCC(=O)NCC[N+]1(Cc2ccccc2)CCN=C1CCCCCCCCCCCCC,"InChI=1/C39H69N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-26-30-38-40-32-34-42(38,36-37-28-24-23-25-29-37)35-33-41-39(43)31-27-22-20-18-16-14-12-10-8-6-4-2;/h23-25,28-29H,3-22,26-27,30-36H2,1-2H3;1H",C39H70N3O.Cl,,,,,,CEWKGAJIXLTVBL-UHFFFAOYSA-N,,,,,,,,,,,
100.096.850,306-586-7,97337-91-2,2-[ethyl[4-[(2-methoxy-4-nitrophenyl)azo]phenyl]amino]ethanol,2-(ethyl{4-[(2-methoxy-4-nitrophenyl)diazenyl]phenyl}amino)ethanol,COc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCO)[N+]([O-])=O,COc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCO)[N+]([O-])=O,"InChI=1/C17H20N4O4/c1-3-20(10-11-22)14-6-4-13(5-7-14)18-19-16-9-8-15(21(23)24)12-17(16)25-2/h4-9,12,22H,3,10-11H2,1-2H3",C17H20N4O4,,,,,,ANPZAKZQIACFFU-UHFFFAOYSA-N,,,,,,,,,,,
100.096.853,306-589-3,97337-95-6,2-methoxy-4-nitro-5-(sulphooxy)phenylammonium hydrogen sulphate,2-methoxy-4-nitro-5-(sulfooxy)anilinium hydrogen sulfate,COc1cc(c(OS(=O)(=O)O)cc1[NH3+])[N+](=O)[O-].[O-]S(=O)(=O)[O-],COc1cc(c(OS(=O)(=O)O)cc1[NH3+])[N+](=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/C7H8N2O7S.H2O4S/c1-15-6-3-5(9(10)11)7(2-4(6)8)16-17(12,13)14;1-5(2,3)4/h2-3H,8H2,1H3,(H,12,13,14);(H2,1,2,3,4)/p-1",C7H8N2O6S.H2O4S,,,,,,QUTAKWQOOATIDT-UHFFFAOYSA-M,,,,,,,,,,,
100.096.856,306-593-5,97337-98-9,"1,1-dimethylindan-5,6-diol","1,1-dimethylindane-5,6-diol",CC1(C)CCc2cc(O)c(O)cc12,CC1(C)CCc2cc(O)c(O)cc12,"InChI=1/C11H14O2/c1-11(2)4-3-7-5-9(12)10(13)6-8(7)11/h5-6,12-13H,3-4H2,1-2H3",C11H14O2,,,,,,WITVSXXDJMKFFE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.954,285-779-7,85136-55-6,p-[[2-methoxy-4-[(2-methoxyphenyl)azo]phenyl]azo]phenol,4-({2-methoxy-4-[(2-methoxyphenyl)diazenyl]phenyl}diazenyl)phenol,COc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3ccccc3OC,COc2cc(ccc2N=Nc1ccc(O)cc1)N=Nc3ccccc3OC,"InChI=1/C20H18N4O3/c1-26-19-6-4-3-5-17(19)23-22-15-9-12-18(20(13-15)27-2)24-21-14-7-10-16(25)11-8-14/h3-13,25H,1-2H3",C20H18N4O3,,,,,,QSWOFMGVVDQADO-UHFFFAOYSA-N,,,,,,,,,,,
100.077.959,285-784-4,85136-60-3,"14-hydroxy-3,6,9,12-tetraoxatetradecyl acrylate","14-hydroxy-3,6,9,12-tetraoxatetradec-1-yl acrylate",OCCOCCOCCOCCOCCOC(=O)C=C,OCCOCCOCCOCCOCCOC(=O)C=C,"InChI=1/C13H24O7/c1-2-13(15)20-12-11-19-10-9-18-8-7-17-6-5-16-4-3-14/h2,14H,1,3-12H2",C13H24O7,,,,,,GYIXDFJDLKMWAA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.960,285-786-5,85136-61-4,"20-hydroxy-3,6,9,12,15,18-hexaoxaicosyl acrylate","20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl acrylate",OCCOCCOCCOCCOCCOCCOCCOC(=O)C=C,OCCOCCOCCOCCOCCOCCOCCOC(=O)C=C,"InChI=1/C17H32O9/c1-2-17(19)26-16-15-25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-18/h2,18H,1,3-16H2",C17H32O9,,,,,,JBJPOMNMCVIYPK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.964,285-790-7,85136-65-8,"4-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid","4-(4-{[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid",Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O,Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O,"InChI=1/C22H16Cl2N4O5S/c1-13-21(22(29)28(27-13)15-7-9-16(10-8-15)34(30,31)32)26-25-18-12-14(23)6-11-20(18)33-19-5-3-2-4-17(19)24/h2-12,21H,1H3,(H,30,31,32)",C22H16Cl2N4O5S,,,,,,HNDWFSMOKQZSNF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.965,285-791-2,85136-66-9,5-[(4-hydroxy-5-nitrobenzoyl)amino]-2-nitrobenzoic acid,5-[(4-hydroxy-3-nitrobenzoyl)amino]-2-nitrobenzoic acid,OC(=O)c1cc(NC(=O)c2ccc(O)c(c2)[N+](=O)[O-])ccc1[N+](=O)[O-],OC(=O)c1cc(NC(=O)c2ccc(O)c(c2)[N+](=O)[O-])ccc1[N+](=O)[O-],"InChI=1/C14H9N3O8/c18-12-4-1-7(5-11(12)17(24)25)13(19)15-8-2-3-10(16(22)23)9(6-8)14(20)21/h1-6,18H,(H,15,19)(H,20,21)",C14H9N3O8,,,,,,KARHQWSVPLKNBE-UHFFFAOYSA-N,,,,,,,,,,,
100.077.966,285-792-8,85136-67-0,4-hydroxy-3-nitrobenzoyl chloride,4-hydroxy-3-nitrobenzoyl chloride,Oc1ccc(cc1[N+](=O)[O-])C(=O)Cl,Oc1ccc(cc1[N+](=O)[O-])C(=O)Cl,"InChI=1/C7H4ClNO4/c8-7(11)4-1-2-6(10)5(3-4)9(12)13/h1-3,10H",C7H4ClNO4,,,,,,OIBCDLJVMQNOTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.077.973,285-801-5,85153-22-6,"Sodium 4-[[6'-(diethylamino)-3'-hydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]azo]-3-hydroxynaphthalene-1-sulphonate","sodium 4-{[6'-(diethylamino)-3'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-2'-yl]diazenyl}-3-hydroxynaphthalene-1-sulfonate",[Na+].[O-]S(=O)(=O)c7cc(O)c(N=Nc1cc5c(cc1O)Oc2cc(ccc2C45OC(=O)c3ccccc34)N(CC)CC)c6ccccc67,[Na+].[O-]S(=O)(=O)c7cc(O)c(N=Nc1cc5c(cc1O)Oc2cc(ccc2C45OC(=O)c3ccccc34)N(CC)CC)c6ccccc67,"InChI=1/C34H27N3O8S.Na/c1-3-37(4-2)19-13-14-24-29(15-19)44-30-17-27(38)26(16-25(30)34(24)23-12-8-7-11-22(23)33(40)45-34)35-36-32-21-10-6-5-9-20(21)31(18-28(32)39)46(41,42)43;/h5-18,38-39H,3-4H2,1-2H3,(H,41,42,43);/q;+1/p-1",C34H27N3O8S.Na,,,,,,SGPUSRFUFNGXCE-UHFFFAOYSA-M,,,,,,,,,,,
100.077.978,285-806-2,85153-27-1,2-[[3-(dimethylamino)propyl](1-methylethyl)amino]ethanol,2-{[3-(dimethylamino)propyl](isopropyl)amino}ethanol,CC(C)N(CCO)CCCN(C)C,CC(C)N(CCO)CCCN(C)C,"InChI=1/C10H24N2O/c1-10(2)12(8-9-13)7-5-6-11(3)4/h10,13H,5-9H2,1-4H3",C10H24N2O,,,,,,ZQXHBNTVWLJFAK-UHFFFAOYSA-N,,,,,,,,,,,
100.077.981,285-809-9,85153-30-6,Disodium [[[2-[[2-[[(4-vinylphenyl)methyl]amino]ethyl]amino]ethyl]amino]methyl]phosphonate,disodium ({[2-({2-[(4-vinylbenzyl)amino]ethyl}amino)ethyl]amino}methyl)phosphonate,[Na+].[Na+].[O-]P(=O)([O-])CNCCNCCNCc1ccc(C=C)cc1,[Na+].[Na+].[O-]P(=O)([O-])CNCCNCCNCc1ccc(C=C)cc1,"InChI=1/C14H24N3O3P.2Na/c1-2-13-3-5-14(6-4-13)11-16-9-7-15-8-10-17-12-21(18,19)20;;/h2-6,15-17H,1,7-12H2,(H2,18,19,20);;/q;2*+1/p-2",C14H24N3O3P.2Na,,,,,,VROJJOCKUXXEOK-UHFFFAOYSA-L,,,,,,,,,,,
100.077.998,285-828-2,85153-47-5,sec-butyl 2-chloroacetoacetate,sec-butyl 4-chloro-3-oxobutanoate,CCC(C)OC(=O)CC(=O)CCl,CCC(C)OC(=O)CC(=O)CCl,"InChI=1/C8H13ClO3/c1-3-6(2)12-8(11)4-7(10)5-9/h6H,3-5H2,1-2H3",C8H13ClO3,,,,,,LWDKBLSLKFREPX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.815,285-626-4,85117-77-7,"Hexasodium 6,13-dichloro-3,10-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]disulphonatophenyl]amino]triphenodioxazine-4,11-disulphonate","hexasodium 6,13-dichloro-3,10-bis({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,3-disulfonatophenyl}amino)[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1c(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2S(=O)(=O)[O-])S(=O)(=O)[O-])ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)c(c8S(=O)(=O)[O-])S(=O)(=O)[O-])c7S(=O)(=O)[O-])N=C6C(=C5Oc14)Cl)Cl,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1c(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2S(=O)(=O)[O-])S(=O)(=O)[O-])ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)c(c8S(=O)(=O)[O-])S(=O)(=O)[O-])c7S(=O)(=O)[O-])N=C6C(=C5Oc14)Cl)Cl,"InChI=1/C36H18Cl6N12O20S6.6Na/c37-17-19-23(73-21-9(45-19)1-3-11(25(21)75(55,56)57)43-13-5-7-15(47-35-51-31(39)49-32(40)52-35)29(79(67,68)69)27(13)77(61,62)63)18(38)20-24(17)74-22-10(46-20)2-4-12(26(22)76(58,59)60)44-14-6-8-16(48-36-53-33(41)50-34(42)54-36)30(80(70,71)72)28(14)78(64,65)66;;;;;;/h1-8,43-44H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,47,49,51,52)(H,48,50,53,54);;;;;;/q;6*+1/p-6",C36H18Cl6N12O20S6.6Na,,,,,,KPTUJCCNIRXNLQ-UHFFFAOYSA-H,,,,,,,,,,,
100.094.381,303-866-0,94231-48-8,"2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenyl acetate","2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-yl acetate",CC(=O)OCC(C)=CCC1C\\C=C(\\C)C1(C)C,CC(=O)OCC(C)=CCC1C\C=C(\C)C1(C)C,"InChI=1/C15H24O2/c1-11(10-17-13(3)16)6-8-14-9-7-12(2)15(14,4)5/h6-7,14H,8-10H2,1-5H3",C15H24O2,,,,,,NYOLTLWONQGFNE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.384,303-869-7,94231-51-3,"1,3-dimethylbutyl cyclopentanecarboxylate","1,3-dimethylbutyl cyclopentanecarboxylate",CC(C)CC(C)OC(=O)C1CCCC1,CC(C)CC(C)OC(=O)C1CCCC1,"InChI=1/C12H22O2/c1-9(2)8-10(3)14-12(13)11-6-4-5-7-11/h9-11H,4-8H2,1-3H3",C12H22O2,,,,,,AGGULZKSGBOSKI-UHFFFAOYSA-N,,,,,,,,,,,
100.094.387,303-872-3,94231-54-6,"2,3,3a,4,7,7a-hexahydro-a-methyl-4,7-methano-1H-indene-5-propionaldehyde","3-(2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-5-yl)-2-methylpropanal",CC(CC1=CC2CC1C3CCCC23)C=O,CC(CC1=CC2CC1C3CCCC23)C=O,"InChI=1/C14H20O/c1-9(8-15)5-10-6-11-7-14(10)13-4-2-3-12(11)13/h6,8-9,11-14H,2-5,7H2,1H3",C14H20O,,,,,,MYGSQSSMAQWWNN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.390,303-876-5,94231-57-9,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl acrylate","2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl acrylate",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C,"InChI=1/C14H5F21O2/c1-2-4(36)37-3-5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)35/h2H,1,3H2",C14H5F21O2,,,,,,FPBNSCOPAZCJAV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.398,303-884-9,94231-65-9,2-hexadecylicosyl laurate,2-hexadecylicosyl laurate,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC,"InChI=1/C48H96O2/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-35-38-41-44-47(46-50-48(49)45-42-39-36-31-18-15-12-9-6-3)43-40-37-34-32-29-27-24-22-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3",C48H96O2,,,,,,UWHSOCSFHCLZIW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.402,303-889-6,94231-69-3,4-ethylsulphonylbenzophenone,[4-(ethylsulfonyl)phenyl](phenyl)methanone,CCS(=O)(=O)c1ccc(cc1)C(=O)c2ccccc2,CCS(=O)(=O)c1ccc(cc1)C(=O)c2ccccc2,"InChI=1/C15H14O3S/c1-2-19(17,18)14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3",C15H14O3S,,,,,,LHWMCZLFDVYHAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.410,303-898-5,94231-77-3,3-ethoxypropyl isothiocyanate,1-ethoxy-3-isothiocyanatopropane,CCOCCCN=C=S,CCOCCCN=C=S,"InChI=1/C6H11NOS/c1-2-8-5-3-4-7-6-9/h2-5H2,1H3",C6H11NOS,,,,,,SJVDIGVFWQSKFN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.411,303-899-0,94231-78-4,"10H-pyrido[3,2-b][1,4]benzothiazine-10-carbonyl chloride","10H-pyrido[3,2-b][1,4]benzothiazine-10-carbonyl chloride",ClC(=O)N1c2ccccc2Sc3cccnc13,ClC(=O)N1c2ccccc2Sc3cccnc13,InChI=1/C12H7ClN2OS/c13-12(16)15-8-4-1-2-5-9(8)17-10-6-3-7-14-11(10)15/h1-7H,C12H7ClN2OS,,,,,,JBXLULDASFBHLX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.412,303-900-4,94231-79-5,"1,4-dimethyl-9-oxabicyclo[6.1.0]non-4-ene","1,4-dimethyl-9-oxabicyclo[6.1.0]non-4-ene",CC1=CCCC2OC2(C)CC1,CC1=CCCC2OC2(C)CC1,"InChI=1/C10H16O/c1-8-4-3-5-9-10(2,11-9)7-6-8/h4,9H,3,5-7H2,1-2H3",C10H16O,,,,,,PMKMRZHIBHVJKA-YWEYNIOJSA-N,,,,,,,,,,,
100.094.415,303-904-6,94231-82-0,"2-allyldecahydro-7-methyl-1,4-methanonaphthalene-6,7-diol","2-allyl-7-methyldecahydro-1,4-methanonaphthalene-6,7-diol",CC1(O)CC2C3CC(CC3CC=C)C2CC1O,CC1(O)CC2C3CC(CC3CC=C)C2CC1O,"InChI=1/C15H24O2/c1-3-4-9-5-10-6-11(9)13-8-15(2,17)14(16)7-12(10)13/h3,9-14,16-17H,1,4-8H2,2H3",C15H24O2,,,,,,DYPRFMBZYYFNBV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.417,303-906-7,94231-84-2,Methyl [7-hydroxy-8-[(2-hydroxy-4-nitrophenyl)azo]-1-naphthyl]-carbamate,methyl {7-hydroxy-8-[(2-hydroxy-4-nitrophenyl)diazenyl]-1-naphthyl}carbamate,Oc3cc(ccc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)[N+]([O-])=O,Oc3cc(ccc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)[N+]([O-])=O,"InChI=1/C18H14N4O6/c1-28-18(25)19-13-4-2-3-10-5-8-14(23)17(16(10)13)21-20-12-7-6-11(22(26)27)9-15(12)24/h2-9,23-24H,1H3,(H,19,25)",C18H14N4O6,,,,,,SVYDTVMSLRWKLE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.418,303-907-2,94231-85-3,"Methyl [7-hydroxy-8-[(2-hydroxy-3,5-dinitrophenyl)azo]-1-naphthyl]carbamate","methyl {7-hydroxy-8-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-1-naphthyl}carbamate",Oc3c(cc(cc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)[N+]([O-])=O)[N+]([O-])=O,Oc3c(cc(cc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C18H13N5O8/c1-31-18(26)19-11-4-2-3-9-5-6-14(24)16(15(9)11)21-20-12-7-10(22(27)28)8-13(17(12)25)23(29)30/h2-8,24-25H,1H3,(H,19,26)",C18H13N5O8,,,,,,LYBKPNSXXPPSEH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.427,303-917-7,94231-94-4,Pentyl 3-(3-methylbutoxy)butyrate,pentyl 3-(3-methylbutoxy)butanoate,CCCCCOC(=O)CC(C)OCCC(C)C,CCCCCOC(=O)CC(C)OCCC(C)C,"InChI=1/C14H28O3/c1-5-6-7-9-17-14(15)11-13(4)16-10-8-12(2)3/h12-13H,5-11H2,1-4H3",C14H28O3,,,,,,JLBRCEFDGLMHPI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.864,306-601-7,97338-08-4,(Z)-[bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadec-9-enyl)oxy]ethyl]ammonium methyl sulphate,"1,5-dihydroxy-N-[2-(oleoyloxy)ethyl]pentan-3-aminium methyl sulfate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)OCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-],"InChI=1/C25H49NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)30-23-20-26-24(18-21-27)19-22-28;1-5-6(2,3)4/h9-10,24,26-28H,2-8,11-23H2,1H3;1H3,(H,2,3,4)",C25H50NO4.CH3O4S,,,,,,SRQRGZTUSNSZOT-KVVVOXFISA-N,,,,,,,,,,,
100.096.865,306-602-2,97338-10-8,Methyltris[2-oleoylethyl]ammonium methyl sulphate,"N-methyl-3-oxo-N,N-bis(3-oxoicos-11-en-1-yl)icos-11-en-1-aminium methyl sulfate",CCCCCCCC\\C=C/CCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCC\\C=C/CCCCCCCC)CCC(=O)CCCCCCC\\C=C/CCCCCCCC.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCC\C=C/CCCCCCCC)CCC(=O)CCCCCCC\C=C/CCCCCCCC.COS(=O)(=O)[O-],"InChI=1/C61H114NO3.CH4O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)53-56-62(4,57-54-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5-6(2,3)4/h26-31H,5-25,32-58H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C61H114NO6.CH3O4S,,,,,,OJTWOIVBODOQTJ-PZSMAEAQSA-M,,,,,,,,,,,
100.096.867,306-604-3,97338-12-0,"Hexacosane-1,2-diol","hexacosane-1,2-diol",CCCCCCCCCCCCCCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCCCCCCCCCCCCCC(O)CO,"InChI=1/C26H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28)25-27/h26-28H,2-25H2,1H3",C26H54O2,,,,,,IFWQSSUUCVSCSK-UHFFFAOYSA-N,,,,,,,,,,,
100.096.869,306-606-4,97338-14-2,"6,6'-(1,3,5-triazine-2,4-diyldiimino)bis[10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione]","6,6'-(1,3,5-triazine-2,4-diyldiimino)bis(10-bromonaphtho[2,3-c]acridine-5,8,14(13H)-trione)",Brc1ccc2Nc3c(cc(Nc4ncnc(Nc5cc6C(=O)c7cc(Br)ccc7Nc6c8C(=O)c9ccccc9C(=O)c58)n4)c%10C(=O)c%11ccccc%11C(=O)c3%10)C(=O)c2c1,Brc1ccc2Nc3c(cc(Nc4ncnc(Nc5cc6C(=O)c7cc(Br)ccc7Nc6c8C(=O)c9ccccc9C(=O)c58)n4)c%10C(=O)c%11ccccc%11C(=O)c3%10)C(=O)c2c1,"InChI=1/C45H21Br2N7O6/c46-18-9-11-28-24(13-18)38(55)26-15-30(32-34(36(26)50-28)42(59)22-7-3-1-5-20(22)40(32)57)52-44-48-17-49-45(54-44)53-31-16-27-37(51-29-12-10-19(47)14-25(29)39(27)56)35-33(31)41(58)21-6-2-4-8-23(21)43(35)60/h1-17H,(H,50,55)(H,51,56)(H2,48,49,52,53,54)",C45H21Br2N7O6,,,,,,HBDKPQIXCAYHOT-UHFFFAOYSA-N,,,,,,,,,,,
100.097.317,307-099-2,97552-47-1,"Propane-1,3-diyl cyclohexane-1,2-dicarboxylate",2-[(3-{[(2-carboxycyclohexyl)carbonyl]oxy}propoxy)carbonyl]cyclohexanecarboxylate,OC(=O)C1CCCCC1C(=O)OCCCOC(=O)C2CCCCC2C(=O)[O-],OC(=O)C1CCCCC1C(=O)OCCCOC(=O)C2CCCCC2C(=O)[O-],"InChI=1/C19H28O8/c20-16(21)12-6-1-3-8-14(12)18(24)26-10-5-11-27-19(25)15-9-4-2-7-13(15)17(22)23/h12-15H,1-11H2,(H,20,21)(H,22,23)/p-1",C19H28O8,,,,,,PTSZLVQNKQMQQE-UHFFFAOYSA-M,,,,,,,,,,,
100.097.325,307-107-4,97552-55-1,"2-ethoxyethyl hydrogen carbonate, magnesium salt",-,[Mg+2].CCOCCOC(=O)O,[Mg+2].CCOCCOC(=O)O,"InChI=1/C5H10O4.Mg/c1-2-8-3-4-9-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+2",C5H10O4.1/2Mg,,,,,,OLMCLYXTZNDBJB-UHFFFAOYSA-N,,,,,,,,,,,
100.097.335,307-118-4,97552-65-3,"2-methoxy-5-[3-[[5-[(methylamino)sulphonyl]-2-(octadecyloxy)phenyl]amino]-1,3-dioxopropyl]benzenesulphonic acid",2-methoxy-5-(3-{[5-(methylsulfamoyl)-2-(octadecyloxy)phenyl]amino}-3-oxopropanoyl)benzenesulfonic acid,CCCCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)CC(=O)c2ccc(OC)c(c2)S(=O)(=O)O)S(=O)(=O)NC,CCCCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)CC(=O)c2ccc(OC)c(c2)S(=O)(=O)O)S(=O)(=O)NC,"InChI=1/C35H54N2O9S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-46-32-23-21-29(47(40,41)36-2)26-30(32)37-35(39)27-31(38)28-20-22-33(45-3)34(25-28)48(42,43)44/h20-23,25-26,36H,4-19,24,27H2,1-3H3,(H,37,39)(H,42,43,44)",C35H54N2O9S2,,,,,,QAOHHICCXNNOLM-UHFFFAOYSA-N,,,,,,,,,,,
100.097.344,307-128-9,97552-76-6,Bis[tris(2-hydroxyethyl)ammonium] nitroglutarate,"bis[2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium] 2-nitropentanedioate",OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCC(C(=O)[O-])[N+](=O)[O-],OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCC(C(=O)[O-])[N+](=O)[O-],"InChI=1/2C6H15NO3.C5H7NO6/c2*8-4-1-7(2-5-9)3-6-10;7-4(8)2-1-3(5(9)10)6(11)12/h2*8-10H,1-6H2;3H,1-2H2,(H,7,8)(H,9,10)",C6H15NO3.1/2C5H7NO6,,,,,,WCKMQAUCEBJREO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.538,305-138-8,94349-22-1,"[(3,5-dibromo-2-methylphenoxy)methyl]oxirane","2-[(3,5-dibromo-2-methylphenoxy)methyl]oxirane",Cc1c(Br)cc(Br)cc1OCC2CO2,Cc1c(Br)cc(Br)cc1OCC2CO2,"InChI=1/C10H10Br2O2/c1-6-9(12)2-7(11)3-10(6)14-5-8-4-13-8/h2-3,8H,4-5H2,1H3",C10H10Br2O2,,,,,,SWMGDHZMKUXYFO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.540,305-140-9,94349-24-3,"1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-proline, compound with piperidine (1:1)",1-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-proline - piperidine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CCC[C@H]3C(=O)O.C4CCNCC4,CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CCC[C@H]3C(=O)O.C4CCNCC4,"InChI=1/C17H20N2O4S.C5H11N/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21;1-2-4-6-5-3-1/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21);6H,1-5H2",C17H20N2O4S.C5H11N,,,,,,XIAWABGWHRCFHB-RSAXXLAASA-N,,,,,,,,,,,
100.098.438,308-334-1,97952-42-6,2-hexadecylicosyl octanoate,2-hexadecylicosyl octanoate,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC,"InChI=1/C44H88O2/c1-4-7-10-13-15-17-19-21-23-24-26-28-30-32-35-37-40-43(42-46-44(45)41-38-33-12-9-6-3)39-36-34-31-29-27-25-22-20-18-16-14-11-8-5-2/h43H,4-42H2,1-3H3",C44H88O2,,,,,,JYCUBBLPYZNDAM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.834,285-647-9,85117-96-0,"9-(2-carboxyphenyl)-3,6-bis[(2,6-dimethylphenyl)amino]xanthylium chloride","9-(2-carboxyphenyl)-3,6-bis[(2,6-dimethylphenyl)amino]xanthenium chloride",[Cl-].Cc1cccc(C)c1Nc2ccc3c(c4ccccc4C(=O)O)c5ccc(Nc6c(C)cccc6C)cc5[o+]c3c2,[Cl-].Cc1cccc(C)c1Nc2ccc3c(c4ccccc4C(=O)O)c5ccc(Nc6c(C)cccc6C)cc5[o+]c3c2,"InChI=1/C36H30N2O3.ClH/c1-21-9-7-10-22(2)34(21)37-25-15-17-29-31(19-25)41-32-20-26(38-35-23(3)11-8-12-24(35)4)16-18-30(32)33(29)27-13-5-6-14-28(27)36(39)40;/h5-20,37-38H,1-4H3;1H",C36H31N2O3.Cl,,,,,,VJDJDEIYZZPARR-UHFFFAOYSA-M,,,,,,,,,,,
100.077.839,285-653-1,85118-01-0,"4-(bromomethyl)-1,2-difluorobenzene","4-(bromomethyl)-1,2-difluorobenzene",Fc1ccc(CBr)cc1F,Fc1ccc(CBr)cc1F,"InChI=1/C7H5BrF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2",C7H5BrF2,,,,,,JJIFTOPVKWDHJI-UHFFFAOYSA-N,,,,,,,,,,,
100.077.842,285-656-8,85118-04-3,"3,4-difluorobenzamide","3,4-difluorobenzamide",NC(=O)c1ccc(F)c(F)c1,NC(=O)c1ccc(F)c(F)c1,"InChI=1/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)",C7H5F2NO,,,,,,CMWOHNIHUBDEAG-UHFFFAOYSA-N,,,,,,,,,,,
100.077.858,285-674-6,85118-21-4,2-bromo-4'-fluoro-4-(trifluoromethyl)benzhydryl alcohol,[2-bromo-4-(trifluoromethyl)phenyl](4-fluorophenyl)methanol,OC(c1ccc(F)cc1)c2ccc(cc2Br)C(F)(F)F,OC(c1ccc(F)cc1)c2ccc(cc2Br)C(F)(F)F,"InChI=1/C14H9BrF4O/c15-12-7-9(14(17,18)19)3-6-11(12)13(20)8-1-4-10(16)5-2-8/h1-7,13,20H",C14H9BrF4O,,,,,,VZUYZKNNGRWOAF-UHFFFAOYSA-N,,,,,,,,,,,
100.077.861,285-677-2,85118-24-7,2-bromo-4-(trifluoromethyl)benzaldehyde,2-bromo-4-(trifluoromethyl)benzaldehyde,FC(F)(F)c1ccc(C=O)c(Br)c1,FC(F)(F)c1ccc(C=O)c(Br)c1,"InChI=1/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H",C8H4BrF3O,,,,,,CUKSTNNYAHZPRM-UHFFFAOYSA-N,,,,,,,,,,,
100.077.864,285-680-9,85118-27-0,"1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrochloride","1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrochloride",Cl.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,Cl.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,"InChI=1/C20H21FN2O.ClH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H",C20H21FN2O.ClH,,,,,,FXSXPIKCGLXHAW-UHFFFAOYSA-N,,,,,,,,,,,
100.077.866,285-683-5,85118-29-2,"9-[3-(dimethylamino)propyl]-9,10-dihydro-10,10-dimethylanthracene-9-ol","9-[3-(dimethylamino)propyl]-10,10-dimethyl-9,10-dihydroanthracen-9-ol",CN(C)CCCC1(O)c2ccccc2C(C)(C)c3ccccc13,CN(C)CCCC1(O)c2ccccc2C(C)(C)c3ccccc13,"InChI=1/C21H27NO/c1-20(2)16-10-5-7-12-18(16)21(23,14-9-15-22(3)4)19-13-8-6-11-17(19)20/h5-8,10-13,23H,9,14-15H2,1-4H3",C21H27NO,,,,,,MGWVDTJIYUKWKX-UHFFFAOYSA-N,,,,,,,,,,,
100.077.867,285-684-0,85118-30-5,3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-ol,3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-ol,OC1CC(c2ccc(F)cc2)c3ccc(cc13)C(F)(F)F,OC1CC(c2ccc(F)cc2)c3ccc(cc13)C(F)(F)F,"InChI=1/C16H12F4O/c17-11-4-1-9(2-5-11)13-8-15(21)14-7-10(16(18,19)20)3-6-12(13)14/h1-7,13,15,21H,8H2",C16H12F4O,,,,,,NVYSLELQVQMWNA-UHFFFAOYSA-N,,,,,,,,,,,
100.077.869,285-686-1,85118-32-7,"Ethyl 3,4,5,7-tetrahydro-3-oxoisoxazolo[5,4-c]pyridine-6(2H)-carboxylate","ethyl 3-oxo-3,4,5,7-tetrahydroisoxazolo[5,4-c]pyridine-6(2H)-carboxylate",CCOC(=O)N1CCC2=C(C1)ONC2=O,CCOC(=O)N1CCC2=C(C1)ONC2=O,"InChI=1/C9H12N2O4/c1-2-14-9(13)11-4-3-6-7(5-11)15-10-8(6)12/h2-5H2,1H3,(H,10,12)",C9H12N2O4,,,,,,VCEIKKVLKZUXGH-UHFFFAOYSA-N,,,,,,,,,,,
100.077.871,285-688-2,85118-34-9,Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoacrylate,ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoacrylate,CCOC(=O)\\C(=C\\c1ccc(cc1Br)C(F)(F)F)\\C#N,CCOC(=O)\C(=C\c1ccc(cc1Br)C(F)(F)F)\C#N,"InChI=1/C13H9BrF3NO2/c1-2-20-12(19)9(7-18)5-8-3-4-10(6-11(8)14)13(15,16)17/h3-6H,2H2,1H3",C13H9BrF3NO2,,,,,,IQXGKIDXUFMKPE-WEVVVXLNSA-N,,,,,,,,,,,
100.077.872,285-689-8,85118-35-0,"Diethyl 1,4-dioxa-7-azaspiro[4.5]decane-7,10-dicarboxylate","diethyl 1,4-dioxa-7-azaspiro[4.5]decane-7,10-dicarboxylate",CCOC(=O)C1CCN(CC12OCCO2)C(=O)OCC,CCOC(=O)C1CCN(CC12OCCO2)C(=O)OCC,"InChI=1/C13H21NO6/c1-3-17-11(15)10-5-6-14(12(16)18-4-2)9-13(10)19-7-8-20-13/h10H,3-9H2,1-2H3",C13H21NO6,,,,,,IZTKNHXFUQFWBV-UHFFFAOYSA-N,,,,,,,,,,,
100.078.129,285-973-1,85169-30-8,Tetrapropylammonium periodate,"N,N,N-tripropylpropan-1-aminium periodate",CCC[N+](CCC)(CCC)CCC.[O-]I(=O)(=O)=O,CCC[N+](CCC)(CCC)CCC.[O-]I(=O)(=O)=O,"InChI=1/C12H28N.HIO4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",C12H28N.IO4,,,,,,HDTMHCZUXQKRAJ-UHFFFAOYSA-M,,,,,,,,,,,
100.080.663,288-761-7,85895-86-9,"2-(2-aminophenyl)benzimidazo[2,1-a]anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8(2H)-trione","2-(2-aminophenyl)benzimidazo[2,1-a]isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8(2H)-trione",Nc1ccccc1N2C(=O)c3ccc4c5ccc6C(=O)n7c(nc8ccccc78)c9ccc(c%10ccc(C2=O)c3c4%10)c5c69,Nc1ccccc1N2C(=O)c3ccc4c5ccc6C(=O)n7c(nc8ccccc78)c9ccc(c%10ccc(C2=O)c3c4%10)c5c69,"InChI=1/C36H18N4O3/c37-25-5-1-3-7-27(25)40-35(42)23-15-11-19-17-9-13-21-31-22(34(41)39-28-8-4-2-6-26(28)38-33(21)39)14-10-18(29(17)31)20-12-16-24(36(40)43)32(23)30(19)20/h1-16H,37H2",C36H18N4O3,,,,,,CHQJBGGCXNBWQK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.434,303-925-0,94232-01-6,2-[(4-aminophenyl)amino]-5-nitrobenzenesulphonic acid hydrochloride,2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonic acid hydrochloride,Cl.Nc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1,Cl.Nc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1,"InChI=1/C12H11N3O5S.ClH/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20;/h1-7,14H,13H2,(H,18,19,20);1H",C12H11N3O5S.xClH,,,,,,ODQRSGUUAKFPFM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.436,303-927-1,94232-03-8,"N,N'-ethylenebis[3-amino-4-methoxybenzenesulphonamide]","N,N'-ethane-1,2-diylbis(3-amino-4-methoxybenzenesulfonamide)",COc1ccc(cc1N)S(=O)(=O)NCCNS(=O)(=O)c2ccc(OC)c(N)c2,COc1ccc(cc1N)S(=O)(=O)NCCNS(=O)(=O)c2ccc(OC)c(N)c2,"InChI=1/C16H22N4O6S2/c1-25-15-5-3-11(9-13(15)17)27(21,22)19-7-8-20-28(23,24)12-4-6-16(26-2)14(18)10-12/h3-6,9-10,19-20H,7-8,17-18H2,1-2H3",C16H22N4O6S2,,,,,,SHIILERBXRETDI-UHFFFAOYSA-N,,,,,,,,,,,
100.094.473,303-968-5,94232-40-3,Lead diundec-10-enoate,-,[Pb+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,[Pb+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,"InChI=1/2C11H20O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;;;/h2*2H,1,3-10H2,(H,12,13);;;/q;;+4;;/p-2/r2C11H20O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);1H2/q;;+4/p-2",C11H20O2.1/2Pb,,,,,,CVCNKHFNZWSRBI-UHFFFAOYSA-L,,,,,,,,,,,
100.062.582,268-861-7,68153-02-6,"Nitriles, C16-22",nonadecanenitrile,CCCCCCCCCCCCCCCCCCC#N,CCCCCCCCCCCCCCCCCCC#N,"InChI=1/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-18H2,1H3",-,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13529,https://echa.europa.eu/substance-information/-/substanceinfo/100.062.582,MVDGSHXQMOKTDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.065.260,271-808-0,68608-89-9,"Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., sodium salts",sodium 4-(6-ethyldecyl)benzenesulfonate,[Na+].CCCCC(CC)CCCCCc1ccc(cc1)S(=O)(=O)[O-],[Na+].CCCCC(CC)CCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C18H30O3S.Na/c1-3-5-9-16(4-2)10-7-6-8-11-17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1",-,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5786,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.260,HLZPFMSGWIVXAK-UHFFFAOYSA-M,,,,,,,,,,,
100.031.987,235-199-5,12126-59-9,"Estrogens, conjugates","sodium 17-oxoestra-1,3,5(10),7-tetraen-3-yl sulfate",[Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CCC2=O,[Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CCC2=O,"InChI=1/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1",-,,,,,,QTTMOCOWZLSYSV-QWAPEVOJSA-M,,,,,,,,,,,
100.060.824,266-926-4,67701-02-4,"Fatty acids, C14-18",palmitic acid,CCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCC(=O)O,"InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",-,,,,,,IPCSVZSSVZVIGE-UHFFFAOYSA-N,,,,,,,,,,,
100.060.896,267-006-5,67762-25-8,"Alcohols, C12-18",hexadecan-1-ol,CCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCO,"InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",-,,,,,,BXWNKGSJHAJOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.906,267-017-5,67762-39-4,"Fatty acids, C6-12, Me esters",methyl octanoate,CCCCCCCC(=O)OC,CCCCCCCC(=O)OC,"InChI=1/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3",-,,,,,,JGHZJRVDZXSNKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.908,267-019-6,67762-41-8,"Alcohols, C10-16",tetradecan-1-ol,CCCCCCCCCCCCCCO,CCCCCCCCCCCCCCO,"InChI=1/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3",-,,,,,,HLZKNKRTKFSKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.378,232-318-2,8003-22-3,"1,3-isobenzofurandione, reaction products with methylquinoline and quinoline","2-quinolin-2-yl-1H-indene-1,3(2H)-dione",O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,"InChI=1/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H",-,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17355,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.378,IZMJMCDDWKSTTK-UHFFFAOYSA-N,,,,,,,,,,,
100.062.649,268-934-3,68155-06-6,"Amides, C12-18, N,N-bis(hydroxyethyl)","N,N-bis(2-hydroxyethyl)hexadecanamide",CCCCCCCCCCCCCCCC(=O)N(CCO)CCO,CCCCCCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)21(16-18-22)17-19-23/h22-23H,2-19H2,1H3",-,,,,,,VJESJEJNMGVQLZ-UHFFFAOYSA-N,Positive,LIT00006,,,326:106:344,Literature_Specs,,,,,
100.098.439,308-335-7,97952-43-7,7-[(2-cyanoethyl)ethylamino]-3-(ethylmethylamino)-2-methylphenoxazin-5-ium chloride,7-[(2-cyanoethyl)(ethyl)amino]-3-[ethyl(methyl)amino]-2-methylphenoxazin-5-ium chloride,[Cl-].CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N,[Cl-].CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N,"InChI=1/C21H25N4O.ClH/c1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;/h8-9,12-14H,5-7,11H2,1-4H3;1H/q+1;/p-1",C21H25N4O.Cl,,,,,,IOGPPNRGFCXPJF-UHFFFAOYSA-M,,,,,,,,,,,
100.097.354,307-139-9,97552-87-9,Diethylvinylpyridine,2-(1-ethylbut-1-en-1-yl)pyridine,CC\\C=C(/CC)\\c1ccccn1,CC\C=C(/CC)\c1ccccn1,"InChI=1/C11H15N/c1-3-7-10(4-2)11-8-5-6-9-12-11/h5-9H,3-4H2,1-2H3",C11H15N,,,,,,WCDOQVSLTYEIPH-JXMROGBWSA-N,,,,,,,,,,,
100.095.557,305-159-2,94349-42-5,[5-ammonio-3-methyl-2-hydroxyphenyl]ammonium sulphate,"4-hydroxy-5-methylbenzene-1,3-diaminium sulfate",Cc1cc([NH3+])cc([NH3+])c1O.[O-]S(=O)(=O)[O-],Cc1cc([NH3+])cc([NH3+])c1O.[O-]S(=O)(=O)[O-],"InChI=1/C7H10N2O.H2O4S/c1-4-2-5(8)3-6(9)7(4)10;1-5(2,3)4/h2-3,10H,8-9H2,1H3;(H2,1,2,3,4)",C7H10N2O.H2O4S,,,,,,XBKYCJUEELIJNY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.560,305-162-9,94349-45-8,"Ethyl 3,4,5,6,7,8-hexahydro-4,4-dimethyl-2-oxo-2H-1-benzopyran-3-carboxylate","ethyl 4,4-dimethyl-2-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate",CCOC(=O)C1C(=O)OC2=C(CCCC2)C1(C)C,CCOC(=O)C1C(=O)OC2=C(CCCC2)C1(C)C,"InChI=1/C14H20O4/c1-4-17-12(15)11-13(16)18-10-8-6-5-7-9(10)14(11,2)3/h11H,4-8H2,1-3H3",C14H20O4,,,,,,AVEWKITZFFDLLF-UHFFFAOYSA-N,,,,,,,,,,,
100.095.563,305-166-0,94349-48-1,"4-butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","4-butylphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",CCCCc1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1,CCCCc1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)cc1,"InChI=1/C20H18N2O4S/c1-2-3-5-14-8-10-15(11-9-14)26-27(24,25)19-7-4-6-17-16(19)12-13-18(22-21)20(17)23/h4,6-13H,2-3,5H2,1H3",C20H18N2O4S,,,,,,IMVRRGAJJGEOEA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.572,305-176-5,94349-57-2,"Potassium 2-hydrazono-2,3-dihydro-3-methylbenzothiazole-5-sulphonate","potassium 2-hydrazono-3-methyl-2,3-dihydro-1,3-benzothiazole-5-sulfonate",[K+].[O-]S(=O)(=O)c1cc2c(cc1)SC(=NN)N2C,[K+].[O-]S(=O)(=O)c1cc2c(cc1)SC(=NN)N2C,"InChI=1/C8H9N3O3S2.K/c1-11-6-4-5(16(12,13)14)2-3-7(6)15-8(11)10-9;/h2-4H,9H2,1H3,(H,12,13,14);/q;+1/p-1",C8H9N3O3S2.K,,,,,,BTQPEECHFUDJPL-UHFFFAOYSA-M,,,,,,,,,,,
100.095.573,305-177-0,94349-58-3,7-(1-methoxyethyl)-2-methyl-5-(1-methylethyl)bicyclo[2.2.2]oct-2-ene,1-(8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl)ethyl methyl ether,COC(C)C1CC2C=C(C)C1CC2C(C)C,COC(C)C1CC2C=C(C)C1CC2C(C)C,"InChI=1/C15H26O/c1-9(2)13-8-14-10(3)6-12(13)7-15(14)11(4)16-5/h6,9,11-15H,7-8H2,1-5H3",C15H26O,,,,,,IIXMILIFHJWPEN-UHFFFAOYSA-N,,,,,,,,,,,
100.098.909,308-860-1,98690-27-8,"1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bisimidazolidine-2,4-dione","1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]diimidazolidine-2,4-dione",O=C1CN(CCNCCNCCNCCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCNCCNCCNCCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C14H25N7O4/c22-11-9-20(13(24)18-11)7-5-16-3-1-15-2-4-17-6-8-21-10-12(23)19-14(21)25/h15-17H,1-10H2,(H,18,22,24)(H,19,23,25)",C14H25N7O4,,,,,,ROKGZEFEAXCPAT-UHFFFAOYSA-N,,,,,,,,,,,
100.098.914,308-865-9,98690-32-5,"1,1'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bis[2-amino-1,5-dihydro-4H-imidazol-4-one]","1,1'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bis(2-amino-1,5-dihydro-4H-imidazol-4-one)",NC1=NC(=O)CN1CCNCCNCCN2CC(=O)N=C2N,NC1=NC(=O)CN1CCNCCNCCN2CC(=O)N=C2N,"InChI=1/C12H22N8O2/c13-11-17-9(21)7-19(11)5-3-15-1-2-16-4-6-20-8-10(22)18-12(20)14/h15-16H,1-8H2,(H2,13,17,21)(H2,14,18,22)",C12H22N8O2,,,,,,IZEOSXUWGIMWDU-UHFFFAOYSA-N,,,,,,,,,,,
100.097.143,306-908-6,97435-26-2,"1-Tetradecanol, phosphate, potassium salt",-,[K+].CCCCCCCCCCCCCCOP(=O)([O-])[O-],[K+].CCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C14H31O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);/q;+1/p-2",-,,,,,,FRZFGZORTBOVCV-UHFFFAOYSA-L,,,,,,,,,,,
100.097.144,306-909-1,97435-27-3,"1-Tetradecanol, phosphate, sodium salt",-,[Na+].CCCCCCCCCCCCCCOP(=O)([O-])[O-],[Na+].CCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C14H31O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);/q;+1/p-2",-,,,,,,DOSBBBHSAFMUKV-UHFFFAOYSA-L,,,,,,,,,,,
100.098.938,308-892-6,98978-60-0,Aluminium trihexacosanoate,aluminum trihexacosanoate,[Al+3].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C26H52O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h3*2-25H2,1H3,(H,27,28);/q;;;+3/p-3",C26H52O2.1/3Al,,,,,,UCYKPPXQQKQJPB-UHFFFAOYSA-K,,,,,,,,,,,
100.098.939,308-893-1,98978-61-1,Aluminium tetracosanoate,aluminum tritetracosanoate,[Al+3].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C24H48O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h3*2-23H2,1H3,(H,25,26);/q;;;+3/p-3",C24H48O2.1/3Al,,,,,,GMDOKCZPQTYLIF-UHFFFAOYSA-K,,,,,,,,,,,
100.098.961,308-917-0,99035-51-5,Vanadium(4+) diarsenate (1:1),-,[V+4].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],[V+4].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-],"InChI=1/2AsH3O4.V/c2*2-1(3,4)5;/h2*(H3,2,3,4,5);/q;;+4/p-6",As2H4O7.V,,,,,,HJPORXWMYGWPIH-UHFFFAOYSA-H,,,,,,,,,,,
100.080.667,288-765-9,85895-90-5,"Sodium 3-[(4-amino-2,5-dimethoxyphenyl)azo]-4-hydroxybenzenesulphonate","sodium 3-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-4-hydroxybenzenesulfonate",[Na+].COc2cc(N)c(cc2N=Nc1cc(ccc1O)S([O-])(=O)=O)OC,[Na+].COc2cc(N)c(cc2N=Nc1cc(ccc1O)S([O-])(=O)=O)OC,"InChI=1/C14H15N3O6S.Na/c1-22-13-7-11(14(23-2)6-9(13)15)17-16-10-5-8(24(19,20)21)3-4-12(10)18;/h3-7,18H,15H2,1-2H3,(H,19,20,21);/q;+1/p-1",C14H15N3O6S.Na,,,,,,QSZCNPYUGYQZHA-UHFFFAOYSA-M,,,,,,,,,,,
100.080.670,288-769-0,85895-93-8,Sodium 3-[(4-amino-2-methoxyphenyl)azo]-4-hydroxybenzenesulphonate,sodium 3-[(4-amino-2-methoxyphenyl)diazenyl]-4-hydroxybenzenesulfonate,[Na+].COc2cc(N)ccc2N=Nc1cc(ccc1O)S([O-])(=O)=O,[Na+].COc2cc(N)ccc2N=Nc1cc(ccc1O)S([O-])(=O)=O,"InChI=1/C13H13N3O5S.Na/c1-21-13-6-8(14)2-4-10(13)15-16-11-7-9(22(18,19)20)3-5-12(11)17;/h2-7,17H,14H2,1H3,(H,18,19,20);/q;+1/p-1",C13H13N3O5S.Na,,,,,,QRZHRWVYKXWVDA-UHFFFAOYSA-M,,,,,,,,,,,
100.078.179,286-028-6,85186-43-2,"2H-Pyran, 3,4-dihydro-2-methoxy-, hydrolyzed","2-methoxy-3,4-dihydro-2H-pyran",COC1CCC=CO1,COC1CCC=CO1,"InChI=1/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3",-,,,,,,XCYWUZHUTJDTGS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.185,286-034-9,85186-51-2,"1,12-Octadecanediol, phosphate",12-hydroxyoctadecyl phosphate,CCCCCCC(O)CCCCCCCCCCCOP(=O)([O-])[O-],CCCCCCC(O)CCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C18H39O5P/c1-2-3-4-12-15-18(19)16-13-10-8-6-5-7-9-11-14-17-23-24(20,21)22/h18-19H,2-17H2,1H3,(H2,20,21,22)/p-2",-,,,,,,UDHNIRZAIKCYBY-UHFFFAOYSA-L,,,,,,,,,,,
100.080.684,288-784-2,85896-07-7,2-chloro-5-methoxy-4-(2-pyridylamino)aniline,"5-chloro-2-methoxy-N-pyridin-2-ylbenzene-1,4-diamine",COc1cc(N)c(Cl)cc1Nc2ccccn2,COc1cc(N)c(Cl)cc1Nc2ccccn2,"InChI=1/C12H12ClN3O/c1-17-11-7-9(14)8(13)6-10(11)16-12-4-2-3-5-15-12/h2-7H,14H2,1H3,(H,15,16)",C12H12ClN3O,,,,,,YTXHHNWAQVDITA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.687,288-787-9,85896-10-2,4-dibenzylamino-3-ethoxyaniline,"N~1~,N~1~-dibenzyl-2-ethoxybenzene-1,4-diamine",CCOc1cc(N)ccc1N(Cc2ccccc2)Cc3ccccc3,CCOc1cc(N)ccc1N(Cc2ccccc2)Cc3ccccc3,"InChI=1/C22H24N2O/c1-2-25-22-15-20(23)13-14-21(22)24(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17,23H2,1H3",C22H24N2O,,,,,,AGKXGFQHIDJYGP-UHFFFAOYSA-N,,,,,,,,,,,
100.080.690,288-791-0,85896-13-5,"1,4-dimethoxy-5-nitro-2-(p-tolylthio)benzene","1,4-dimethoxy-2-[(4-methylphenyl)sulfanyl]-5-nitrobenzene",COc1cc(c(OC)cc1Sc2ccc(C)cc2)[N+](=O)[O-],COc1cc(c(OC)cc1Sc2ccc(C)cc2)[N+](=O)[O-],"InChI=1/C15H15NO4S/c1-10-4-6-11(7-5-10)21-15-9-13(19-2)12(16(17)18)8-14(15)20-3/h4-9H,1-3H3",C15H15NO4S,,,,,,PDJISJMRQRYBGA-UHFFFAOYSA-N,,,,,,,,,,,
100.080.691,288-792-6,85896-14-6,2-chloro-N-cyclohexyl-N-methyl-4-nitroaniline,2-chloro-N-cyclohexyl-N-methyl-4-nitroaniline,CN(C1CCCCC1)c2ccc(cc2Cl)[N+](=O)[O-],CN(C1CCCCC1)c2ccc(cc2Cl)[N+](=O)[O-],"InChI=1/C13H17ClN2O2/c1-15(10-5-3-2-4-6-10)13-8-7-11(16(17)18)9-12(13)14/h7-10H,2-6H2,1H3",C13H17ClN2O2,,,,,,ZJKOSGOSCWKMMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.692,288-793-1,85896-15-7,3-chloro-4-(N-cyclohexyl-N-methylamino)aniline,"2-chloro-N~1~-cyclohexyl-N~1~-methylbenzene-1,4-diamine",CN(C1CCCCC1)c2ccc(N)cc2Cl,CN(C1CCCCC1)c2ccc(N)cc2Cl,"InChI=1/C13H19ClN2/c1-16(11-5-3-2-4-6-11)13-8-7-10(15)9-12(13)14/h7-9,11H,2-6,15H2,1H3",C13H19ClN2,,,,,,SZFJCDGNNBDKBT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.733,288-838-5,85909-35-9,(S)-3-[[(acetylamino)methyl]thio]-2-aminopropionamide,S-(acetamidomethyl)-D-cysteinamide,CC(=O)NCSC[C@@H](N)C(=O)N,CC(=O)NCSC[C@@H](N)C(=O)N,"InChI=1/C6H13N3O2S/c1-4(10)9-3-12-2-5(7)6(8)11/h5H,2-3,7H2,1H3,(H2,8,11)(H,9,10)",C6H13N3O2S,,,,,,XQQFETKFPSFQAX-RXMQYKEDSA-N,,,,,,,,,,,
100.080.734,288-839-0,85909-36-0,1-(2-chloropropoxy)-2-(phenylmethyl)benzene,1-benzyl-2-(2-chloropropoxy)benzene,CC(Cl)COc1ccccc1Cc2ccccc2,CC(Cl)COc1ccccc1Cc2ccccc2,"InChI=1/C16H17ClO/c1-13(17)12-18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3",C16H17ClO,,,,,,DHZSNIQVQQXCQB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.243,286-098-8,85187-11-7,"Sodium (S)-2,3-dimercaptopropanesulphonate","sodium 2,3-disulfanylpropane-1-sulfonate",[Na+].[O-]S(=O)(=O)C[C@@H](S)CS,[Na+].[O-]S(=O)(=O)C[C@@H](S)CS,"InChI=1/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1",C3H8O3S3.Na,,,,,,FGGPAWQCCGEWTJ-DFWYDOINSA-M,,,,,,,,,,,
100.078.245,286-100-7,85187-13-9,Hexyl methylphosphinate,hexyl methylphosphinate,CCCCCCOP(=O)C,CCCCCCOP(=O)C,"InChI=1/C7H17O2P/c1-3-4-5-6-7-9-10(2)8/h10H,3-7H2,1-2H3",C7H17O2P,,,,,,JUCRFUCZWLDNFF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.248,286-103-3,85187-16-2,"a-[3-(2,2,3-trimethylcyclopentyl)propyl]benzyl alcohol","1-phenyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol",CC1CCC(CCCC(O)c2ccccc2)C1(C)C,CC1CCC(CCCC(O)c2ccccc2)C1(C)C,"InChI=1/C18H28O/c1-14-12-13-16(18(14,2)3)10-7-11-17(19)15-8-5-4-6-9-15/h4-6,8-9,14,16-17,19H,7,10-13H2,1-3H3",C18H28O,,,,,,RRRMRASQZQTKRU-UHFFFAOYSA-N,,,,,,,,,,,
100.080.500,288-581-9,85763-57-1,11-methyldodecanol,11-methyldodecan-1-ol,CC(C)CCCCCCCCCCO,CC(C)CCCCCCCCCCO,"InChI=1/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3",C13H28O,,,,,,XUJLWPFSUCHPQL-UHFFFAOYSA-N,,,,,,,,,,,
100.080.501,288-582-4,85763-58-2,Bis(11-methyldodecyl) maleate,bis(11-methyldodecyl) but-2-enedioate,CC(C)CCCCCCCCCCOC(=O)\\C=C/C(=O)OCCCCCCCCCCC(C)C,CC(C)CCCCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCCCCC(C)C,"InChI=1/C30H56O4/c1-27(2)21-17-13-9-5-7-11-15-19-25-33-29(31)23-24-30(32)34-26-20-16-12-8-6-10-14-18-22-28(3)4/h23-24,27-28H,5-22,25-26H2,1-4H3",C30H56O4,,,,,,JEHBOJVFHNCQJZ-VHXPQNKSSA-N,,,,,,,,,,,
100.064.762,271-259-7,68527-16-2,"Hydrocarbons, C1-3",ethane,CC,CC,InChI=1/C2H6/c1-2/h1-2H3,-,,,,,,OTMSDBZUPAUEDD-UHFFFAOYSA-N,,,,,,,,,,,
100.095.383,304-968-8,94313-70-9,"2-(1-carboxyethoxy)-1-methyl-2-oxoethyl oleate, compound with 2,2',2''-nitrilotriethanol (1:1)","2-{[2-(oleoyloxy)propanoyl]oxy}propanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.OCCN(CCO)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.OCCN(CCO)CCO,"InChI=1/C24H42O6.C6H15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;8-4-1-7(2-5-9)3-6-10/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27);8-10H,1-6H2",C24H42O6.C6H15NO3,,,,,,XUBSENCNBRNSCL-AFEZEDKISA-N,,,,,,,,,,,
100.095.386,304-971-4,94313-73-2,"1-carboxyethyl oleate, compound with 2,2',2''-nitrilotriethanol (1:1)","2-(oleoyloxy)propanoic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)O.OCCN(CCO)CCO,CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)O.OCCN(CCO)CCO,"InChI=1/C21H38O4.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;8-4-1-7(2-5-9)3-6-10/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);8-10H,1-6H2",C21H38O4.C6H15NO3,,,,,,TVPSOQGYZRJWJL-GMFCBQQYSA-N,,,,,,,,,,,
100.095.392,304-978-2,94313-79-8,"1,4-dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone","1,4-dihydroxy-2-{[3-(2-methoxyethoxy)propyl]amino}-9,10-anthraquinone",COCCOCCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,COCCOCCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,"InChI=1/C20H21NO6/c1-26-9-10-27-8-4-7-21-14-11-15(22)16-17(20(14)25)19(24)13-6-3-2-5-12(13)18(16)23/h2-3,5-6,11,21-22,25H,4,7-10H2,1H3",C20H21NO6,,,,,,ZSFWKWLNASMXLT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.394,304-980-3,94313-81-2,1-hydroxy-4-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone,"1-hydroxy-4-{[3-(2-methoxyethoxy)propyl]amino}-9,10-anthraquinone",COCCOCCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,COCCOCCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H21NO5/c1-25-11-12-26-10-4-9-21-15-7-8-16(22)18-17(15)19(23)13-5-2-3-6-14(13)20(18)24/h2-3,5-8,21-22H,4,9-12H2,1H3",C20H21NO5,,,,,,CGSFGQWGUXHDKE-UHFFFAOYSA-N,,,,,,,,,,,
100.097.150,306-915-4,97467-67-9,Docosyl 2-ethylhexanoate,docosyl 2-ethylhexanoate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC,"InChI=1/C30H60O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32-30(31)29(6-3)27-8-5-2/h29H,4-28H2,1-3H3",C30H60O2,,,,,,IVVSKQQLKMIDFD-UHFFFAOYSA-N,,,,,,,,,,,
100.097.154,306-920-1,97467-71-5,"1-(hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)","3-hydroxypropane-1,2-diyl bis(3,5,5-trimethylhexanoate)",CC(CC(=O)OCC(CO)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,CC(CC(=O)OCC(CO)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C21H40O5/c1-15(11-20(3,4)5)9-18(23)25-14-17(13-22)26-19(24)10-16(2)12-21(6,7)8/h15-17,22H,9-14H2,1-8H3",C21H40O5,,,,,,IBUFAZUSWCOWLK-UHFFFAOYSA-N,,,,,,,,,,,
100.097.155,306-921-7,97467-72-6,"2-hydroxypropane-1,3-diyl bis(3,5,5-trimethylhexanoate)","2-hydroxypropane-1,3-diyl bis(3,5,5-trimethylhexanoate)",CC(CC(=O)OCC(O)COC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,CC(CC(=O)OCC(O)COC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1/C21H40O5/c1-15(11-20(3,4)5)9-18(23)25-13-17(22)14-26-19(24)10-16(2)12-21(6,7)8/h15-17,22H,9-14H2,1-8H3",C21H40O5,,,,,,CWNHMBDYDBMCOC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.402,304-989-2,94313-89-0,"Ammonium 1,4-didecyl sulphonatosuccinate","ammonium 1,4-bis(decyloxy)-1,4-dioxobutane-2-sulfonate",[NH4+].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-],[NH4+].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/C24H46O7S.H3N/c1-3-5-7-9-11-13-15-17-19-30-23(25)21-22(32(27,28)29)24(26)31-20-18-16-14-12-10-8-6-4-2;/h22H,3-21H2,1-2H3,(H,27,28,29);1H3",C24H46O7S.H3N,,,,,,SOPRNXRDANZMOB-UHFFFAOYSA-N,,,,,,,,,,,
100.095.403,304-990-8,94313-91-4,Trimethyl-3-[(1-oxo-10-undecenyl)amino]propylammonium methyl sulphate,"N,N,N-trimethyl-3-(undec-10-enoylamino)propan-1-aminium methyl sulfate",COS(=O)(=O)[O-].C[N+](C)(C)CCCNC(=O)CCCCCCCCC=C,COS(=O)(=O)[O-].C[N+](C)(C)CCCNC(=O)CCCCCCCCC=C,"InChI=1/C17H34N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)4;1-5-6(2,3)4/h5H,1,6-16H2,2-4H3;1H3,(H,2,3,4)",C17H35N2O.CH3O4S,,,,,,MQMUSWOUVRONBK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.406,304-993-4,94313-94-7,"Barium hydrogen 1-oxopropane-1,2,3-tricarboxylate","barium hydrogen 1-oxopropane-1,2,3-tricarboxylate",[Ba+2].[O-]C(=O)CC(C(=O)[O-])C(=O)C(=O)[O-],[Ba+2].[O-]C(=O)CC(C(=O)[O-])C(=O)C(=O)[O-],"InChI=1/C6H6O7.Ba/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;+2/p-3",C6H6O7.Ba,,,,,,CIVPYUFTSJMQBK-UHFFFAOYSA-K,,,,,,,,,,,
100.095.425,305-014-3,94333-37-6,"Cobalt 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)","cobalt(2+) bis(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate)",[Co].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2,[Co].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2,"InChI=1/2C5H4N2O4.Co/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",C5H4N2O4.1/2Co,,,,,,HIHJTYPBHAOOFI-UHFFFAOYSA-L,,,,,,,,,,,
100.095.429,305-019-0,94333-41-2,"N-(2-hydroxy-1,1-dimethylethyl)-2-isobutyl-3-methylvaleramide","N-(2-hydroxy-1,1-dimethylethyl)-2-isobutyl-3-methylpentanamide",CCC(C)C(CC(C)C)C(=O)NC(C)(C)CO,CCC(C)C(CC(C)C)C(=O)NC(C)(C)CO,"InChI=1/C14H29NO2/c1-7-11(4)12(8-10(2)3)13(17)15-14(5,6)9-16/h10-12,16H,7-9H2,1-6H3,(H,15,17)",C14H29NO2,,,,,,CFTZGPRXGIWVIV-UHFFFAOYSA-N,,,,,,,,,,,
100.080.508,288-590-8,85765-25-9,"2,2'-(naphthalene-1,4-diyl)bis[5-phenyl-1,3,4-oxadiazole]","2,2'-naphthalene-1,4-diylbis(5-phenyl-1,3,4-oxadiazole)",o1c(nnc1c2ccc(c3oc(nn3)c4ccccc4)c5ccccc25)c6ccccc6,o1c(nnc1c2ccc(c3oc(nn3)c4ccccc4)c5ccccc25)c6ccccc6,InChI=1/C26H16N4O2/c1-3-9-17(10-4-1)23-27-29-25(31-23)21-15-16-22(20-14-8-7-13-19(20)21)26-30-28-24(32-26)18-11-5-2-6-12-18/h1-16H,C26H16N4O2,,,,,,QDKHNXQNYOAZDT-UHFFFAOYSA-N,,,,,,,,,,,
100.080.509,288-591-3,85793-29-9,N-[3-(diethylamino)-2-hydroxypropyl]-3-methoxy-1-phenyl-1H-indole-2-carboxamide,N-[3-(diethylamino)-2-hydroxypropyl]-3-methoxy-1-phenyl-1H-indole-2-carboxamide,CCN(CC)CC(O)CNC(=O)c1c(OC)c2ccccc2n1c3ccccc3,CCN(CC)CC(O)CNC(=O)c1c(OC)c2ccccc2n1c3ccccc3,"InChI=1/C23H29N3O3/c1-4-25(5-2)16-18(27)15-24-23(28)21-22(29-3)19-13-9-10-14-20(19)26(21)17-11-7-6-8-12-17/h6-14,18,27H,4-5,15-16H2,1-3H3,(H,24,28)",C23H29N3O3,,,,,,JZQYAVBXJCQSOK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.527,288-611-0,85828-84-8,"Trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenyl-4H-1-benzopyran-2-carboxylate","trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenyl-4H-chromene-2-carboxylate",[Na+].[Na+].[Na+].[O-]C(=O)COc1cc(OCC(=O)[O-])c2C(=O)C(=C(Oc2c1)C(=O)[O-])c3ccccc3,[Na+].[Na+].[Na+].[O-]C(=O)COc1cc(OCC(=O)[O-])c2C(=O)C(=C(Oc2c1)C(=O)[O-])c3ccccc3,"InChI=1/C20H14O10.3Na/c21-14(22)8-28-11-6-12(29-9-15(23)24)17-13(7-11)30-19(20(26)27)16(18(17)25)10-4-2-1-3-5-10;;;/h1-7H,8-9H2,(H,21,22)(H,23,24)(H,26,27);;;/q;3*+1/p-3",C20H14O10.3Na,,,,,,NSKNHTAJJIDYDB-UHFFFAOYSA-K,,,,,,,,,,,
100.080.529,288-613-1,85851-53-2,"2-[[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl][2-[(chloroacetyl)oxy]ethyl]amino]ethyl butyrate","2-({5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}[2-(2-chloroacetoxy)ethyl]amino)ethyl butyrate",Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(CCOC(=O)CCC)CCOC(=O)CCl)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OCC)c(cc1NC(C)=O)N(CCOC(=O)CCC)CCOC(=O)CCl)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C26H30BrClN6O10/c1-4-6-24(36)43-9-7-32(8-10-44-25(37)15-28)21-13-19(29-16(3)35)20(14-23(21)42-5-2)30-31-26-18(27)11-17(33(38)39)12-22(26)34(40)41/h11-14H,4-10,15H2,1-3H3,(H,29,35)",C26H30BrClN6O10,,,,,,JVKVLNPRPMQFPS-UHFFFAOYSA-N,,,,,,,,,,,
100.080.531,288-615-2,85851-55-4,Sodium p-[[p-[[p-(diethylamino)phenyl]azo]phenyl]azo]benzenesulphonate,sodium 4-[(4-{[4-(diethylamino)phenyl]diazenyl}phenyl)diazenyl]benzenesulfonate,[Na+].CCN(CC)c1ccc(cc1)N=Nc3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3,[Na+].CCN(CC)c1ccc(cc1)N=Nc3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3,"InChI=1/C22H23N5O3S.Na/c1-3-27(4-2)21-13-9-19(10-14-21)25-23-17-5-7-18(8-6-17)24-26-20-11-15-22(16-12-20)31(28,29)30;/h5-16H,3-4H2,1-2H3,(H,28,29,30);/q;+1/p-1",C22H23N5O3S.Na,,,,,,DXONQZPBFYUCCY-UHFFFAOYSA-M,,,,,,,,,,,
100.080.533,288-617-3,85851-57-6,"Methyl 2-[[3-[[[4-(benzoylamino)phenyl]amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-[[(2,5-dichlorophenyl)amino]carbonyl]benzoate","methyl 2-[(3-{[4-(benzoylamino)phenyl]carbamoyl}-2-hydroxy-1-naphthyl)diazenyl]-4-[(2,5-dichlorophenyl)carbamoyl]benzoate",Clc6ccc(Cl)cc6NC(=O)c5ccc(C(=O)OC)c(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(NC(=O)c1ccccc1)cc2)c3O)c5,Clc6ccc(Cl)cc6NC(=O)c5ccc(C(=O)OC)c(N=Nc3c4ccccc4cc(C(=O)Nc2ccc(NC(=O)c1ccccc1)cc2)c3O)c5,"InChI=1/C39H27Cl2N5O6/c1-52-39(51)29-17-11-24(37(49)44-33-21-25(40)12-18-31(33)41)20-32(29)45-46-34-28-10-6-5-9-23(28)19-30(35(34)47)38(50)43-27-15-13-26(14-16-27)42-36(48)22-7-3-2-4-8-22/h2-21,47H,1H3,(H,42,48)(H,43,50)(H,44,49)",C39H27Cl2N5O6,,,,,,FWRCAPSQFNUWRY-UHFFFAOYSA-N,,,,,,,,,,,
100.078.429,286-303-0,85204-09-7,Cobalt glycerol phosphate,cobalt(2+) 2-hydroxy-1-(hydroxymethyl)ethyl phosphate,[Co+2].OCC(CO)OP(=O)([O-])[O-],[Co+2].OCC(CO)OP(=O)([O-])[O-],"InChI=1/C3H9O6P.Co/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",C3H9O6P.xCo,,,,,,AONGIRWKVIMVGW-UHFFFAOYSA-L,,,,,,,,,,,
100.078.431,286-305-1,85204-11-1,Sodium 2-[4-hydroxy-3-[[2-hydroxy-3-[(phenylamino)carbonyl]-1-naphthyl]azo]benzoyl]benzoate,sodium 2-(4-hydroxy-3-{[2-hydroxy-3-(phenylcarbamoyl)-1-naphthyl]diazenyl}benzoyl)benzoate,[Na+].Oc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(=O)c5ccccc5C([O-])=O,[Na+].Oc4ccc(cc4N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)C(=O)c5ccccc5C([O-])=O,"InChI=1/C31H21N3O6.Na/c35-26-15-14-19(28(36)22-12-6-7-13-23(22)31(39)40)17-25(26)33-34-27-21-11-5-4-8-18(21)16-24(29(27)37)30(38)32-20-9-2-1-3-10-20;/h1-17,35,37H,(H,32,38)(H,39,40);/q;+1/p-1",C31H21N3O6.Na,,,,,,FRHKKNJAEQOFMS-UHFFFAOYSA-M,,,,,,,,,,,
100.078.438,286-313-5,85204-18-8,"1-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)ethyl acetate","1-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)ethyl acetate",CC(OC(=O)C)C1C2CC(C=C2)C1(C)C,CC(OC(=O)C)C1C2CC(C=C2)C1(C)C,"InChI=1/C13H20O2/c1-8(15-9(2)14)12-10-5-6-11(7-10)13(12,3)4/h5-6,8,10-12H,7H2,1-4H3",C13H20O2,,,,,,ASHKOXCVKJACGB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.444,286-319-8,85204-24-6,2-butoxy-2-methylpropan-1-ol,2-butoxy-2-methylpropan-1-ol,CCCCOC(C)(C)CO,CCCCOC(C)(C)CO,"InChI=1/C8H18O2/c1-4-5-6-10-8(2,3)7-9/h9H,4-7H2,1-3H3",C8H18O2,,,,,,WXMNHSVLQBEKCC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.430,305-020-6,94333-42-3,"N,2-diethyl-3-methylvaleramide","N,2-diethyl-3-methylpentanamide",CCNC(=O)C(CC)C(C)CC,CCNC(=O)C(CC)C(C)CC,"InChI=1/C10H21NO/c1-5-8(4)9(6-2)10(12)11-7-3/h8-9H,5-7H2,1-4H3,(H,11,12)",C10H21NO,,,,,,GXTTUHOVBQMJLW-UHFFFAOYSA-N,,,,,,,,,,,
100.095.434,305-024-8,94333-46-7,"Disodium 4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1-[4-[(2-hydroxyethyl)sulphonyl]phenyl]-1H-pyrazol-5-yl]benzene-1,3-disulphonate","disodium 4-[3-(4,5-dichloro-2-methylphenyl)-1-{4-[(2-hydroxyethyl)sulfonyl]phenyl}-4,5-dihydro-1H-pyrazol-5-yl]benzene-1,3-disulfonate",[Na+].[Na+].Cc1cc(Cl)c(Cl)cc1C2=NN(C(C2)c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(cc4)S(=O)(=O)CCO,[Na+].[Na+].Cc1cc(Cl)c(Cl)cc1C2=NN(C(C2)c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(cc4)S(=O)(=O)CCO,"InChI=1/C24H22Cl2N2O9S3.2Na/c1-14-10-20(25)21(26)12-19(14)22-13-23(18-7-6-17(39(32,33)34)11-24(18)40(35,36)37)28(27-22)15-2-4-16(5-3-15)38(30,31)9-8-29;;/h2-7,10-12,23,29H,8-9,13H2,1H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2",C24H22Cl2N2O9S3.2Na,,,,,,MRFHZEPMEHLOAQ-UHFFFAOYSA-L,,,,,,,,,,,
100.097.220,306-992-4,97488-57-8,2-[[1-methyl-4-(1-methylvinyl)cyclohexyl]oxy]ethanol,2-[(4-isopropenyl-1-methylcyclohexyl)oxy]ethanol,CC(=C)C1CCC(C)(CC1)OCCO,CC(=C)C1CCC(C)(CC1)OCCO,"InChI=1/C12H22O2/c1-10(2)11-4-6-12(3,7-5-11)14-9-8-13/h11,13H,1,4-9H2,2-3H3",C12H22O2,,,,,,UQTMBTZRKQJQJA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.444,305-035-8,94333-56-9,"5-fluoro-5,7,7-tris(trifluoromethyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,4-dioxepane","5-fluoro-5,7,7-tris(trifluoromethyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,4-dioxepane",FC(F)(F)C(=C1C(F)(OCCOC1(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F,FC(F)(F)C(=C1C(F)(OCCOC1(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1/C11H4F16O2/c12-6(11(25,26)27)3(4(7(13,14)15)8(16,17)18)5(9(19,20)21,10(22,23)24)28-1-2-29-6/h1-2H2",C11H4F16O2,,,,,,GSGMLVXKSLFVQP-UHFFFAOYSA-N,,,,,,,,,,,
100.095.449,305-041-0,94333-61-6,Potassium 2-benzoyl-6-naphthyl sulphate,potassium 6-benzoyl-2-naphthyl sulfate,[K+].[O-]S(=O)(=O)Oc1ccc2cc(ccc2c1)C(=O)c3ccccc3,[K+].[O-]S(=O)(=O)Oc1ccc2cc(ccc2c1)C(=O)c3ccccc3,"InChI=1/C17H12O5S.K/c18-17(12-4-2-1-3-5-12)15-7-6-14-11-16(22-23(19,20)21)9-8-13(14)10-15;/h1-11H,(H,19,20,21);/q;+1/p-1",C17H12O5S.K,,,,,,QDFLHEXSNOIYQU-UHFFFAOYSA-M,,,,,,,,,,,
100.095.450,305-042-6,94333-62-7,DL-3-(3-thienyl)-ß-alanine,3-amino-3-(3-thienyl)propanoic acid,NC(CC(=O)O)c1ccsc1,NC(CC(=O)O)c1ccsc1,"InChI=1/C7H9NO2S/c8-6(3-7(9)10)5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)",C7H9NO2S,,,,,,UPDVATYZQLTZOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.001,306-751-3,97403-89-9,"1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium hydroxide","1,3,3-trimethyl-2-[methyl(4-methylphenyl)carbonohydrazonoyl]-3H-indolium hydroxide",[OH-].Cc1ccc(cc1)N(C)N=C\\C3=[N+](/C)c2ccccc2C3(C)C,[OH-].Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C,"InChI=1/C20H24N3.H2O/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;/h6-14H,1-5H3;1H2/q+1;/p-1",C20H24N3.HO,,,,,,WWDCNOAATKSEJN-UHFFFAOYSA-M,,,,,,,,,,,
100.097.002,306-752-9,97403-90-2,3-(2-butylbicyclo[2.2.1]hept-2-yl)propionaldehyde,3-(2-butylbicyclo[2.2.1]hept-2-yl)propanal,CCCCC1(CCC=O)CC2CCC1C2,CCCCC1(CCC=O)CC2CCC1C2,"InChI=1/C14H24O/c1-2-3-7-14(8-4-9-15)11-12-5-6-13(14)10-12/h9,12-13H,2-8,10-11H2,1H3",C14H24O,,,,,,XFSYDOVQWOWCKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.007,306-758-1,97403-95-7,"2,3,3-trifluoro-N,N-dimethylacrylamide","2,3,3-trifluoro-N,N-dimethylacrylamide",CN(C)C(=O)C(=C(F)F)F,CN(C)C(=O)C(=C(F)F)F,InChI=1/C5H6F3NO/c1-9(2)5(10)3(6)4(7)8/h1-2H3,C5H6F3NO,,,,,,GPIMQYBOJVUWSK-UHFFFAOYSA-N,,,,,,,,,,,
100.097.012,306-763-9,97404-01-8,"Methyl acetate, compound with N,N-diethyl-4-[(4-methyl-4H-1,2,4-triazol-3-yl)azo]aniline (1:1)","methyl acetate - N,N-diethyl-4-[(4-methyl-4H-1,2,4-triazol-3-yl)diazenyl]aniline (1:1)",Cn2cnnc2N=Nc1ccc(cc1)N(CC)CC.CC(=O)OC,Cn2cnnc2N=Nc1ccc(cc1)N(CC)CC.CC(=O)OC,"InChI=1/C13H18N6.C3H6O2/c1-4-19(5-2)12-8-6-11(7-9-12)15-17-13-16-14-10-18(13)3;1-3(4)5-2/h6-10H,4-5H2,1-3H3;1-2H3",C13H18N6.C3H6O2,,,,,,YWEYCJCTVIMUKD-UHFFFAOYSA-N,,,,,,,,,,,
100.097.013,306-764-4,97404-02-9,"2-[(4-aminophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride","2-[(4-aminophenyl)diazenyl]-1,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium chloride",[Cl-].CN2/C=C\\[NH+](C)C2N=Nc1ccc(N)cc1,[Cl-].CN2/C=C\[NH+](C)C2N=Nc1ccc(N)cc1,"InChI=1/C11H15N5.ClH/c1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;/h3-8,11H,12H2,1-2H3;1H",C11H14N5.Cl,,,,,,HNHIXHZUQXUYPW-UHFFFAOYSA-N,,,,,,,,,,,
100.097.016,306-768-6,97404-05-2,"Disodium 4-[[2,4-dihydroxy-3,5-bis(phenylazo)phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate","disodium 4-{[2,4-dihydroxy-3,5-bis(phenyldiazenyl)phenyl]diazenyl}-5-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccccc3)N=Nc5ccccc5,[Na+].[Na+].Oc4c(cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c4N=Nc3ccccc3)N=Nc5ccccc5,"InChI=1/C28H20N6O9S2.2Na/c35-24-14-20(45(41,42)43)12-16-11-19(44(38,39)40)13-21(25(16)24)31-33-23-15-22(32-29-17-7-3-1-4-8-17)27(36)26(28(23)37)34-30-18-9-5-2-6-10-18;;/h1-15,35-37H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",C28H20N6O9S2.2Na,,,,,,XNIGBSIBNLHRCG-UHFFFAOYSA-L,,,,,,,,,,,
100.080.539,288-624-1,85851-63-4,"2,3-dihydrophthalazine-1,4-dione dihydrazone, compound with 3,7-dihydro-3-methyl-1H-purine-2,6-dione (1:2)","3-methyl-3,9-dihydro-1H-purine-2,6-dione - 1,4-bis(hydrazono)-1,2,3,4-tetrahydrophthalazine (2:1)",N/N=C1\\NN/C(=N\\N)C=2C=CC=CC1=2.CN2C=1NC=NC=1C(=O)NC2=O.CN2C=1NC=NC=1C(=O)NC2=O,N/N=C1\NN/C(=N\N)C=2C=CC=CC1=2.CN2C=1NC=NC=1C(=O)NC2=O.CN2C=1NC=NC=1C(=O)NC2=O,"InChI=1/C8H10N6.2C6H6N4O2/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;2*1-10-4-3(7-2-8-4)5(11)9-6(10)12/h1-4H,9-10H2,(H,11,13)(H,12,14);2*2H,1H3,(H,7,8)(H,9,11,12)",C8H10N6.2C6H6N4O2,,,,,,SKBCOCQTOYWWMK-UHFFFAOYSA-N,,,,,,,,,,,
100.080.552,288-638-8,85851-79-2,3-ethylheptyl 4-methyloctyl phthalate,3-ethylheptyl 4-methyloctyl phthalate,CCCCC(C)CCCOC(=O)c1ccccc1C(=O)OCCC(CC)CCCC,CCCCC(C)CCCOC(=O)c1ccccc1C(=O)OCCC(CC)CCCC,"InChI=1/C26H42O4/c1-5-8-13-21(4)14-12-19-29-25(27)23-16-10-11-17-24(23)26(28)30-20-18-22(7-3)15-9-6-2/h10-11,16-17,21-22H,5-9,12-15,18-20H2,1-4H3",C26H42O4,,,,,,IUYBJQLDYPVZHG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.556,288-643-5,85851-83-8,Bis(2-methyldecyl) phthalate,bis(2-methyldecyl) phthalate,CCCCCCCCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CCCCCCCC,CCCCCCCCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CCCCCCCC,"InChI=1/C30H50O4/c1-5-7-9-11-13-15-19-25(3)23-33-29(31)27-21-17-18-22-28(27)30(32)34-24-26(4)20-16-14-12-10-8-6-2/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3",C30H50O4,,,,,,KROXVIOWGRNMQS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.448,286-324-5,85204-28-0,3-tert-butyl-5-methylbenzyl alcohol,(3-tert-butyl-5-methylphenyl)methanol,Cc1cc(CO)cc(c1)C(C)(C)C,Cc1cc(CO)cc(c1)C(C)(C)C,"InChI=1/C12H18O/c1-9-5-10(8-13)7-11(6-9)12(2,3)4/h5-7,13H,8H2,1-4H3",C12H18O,,,,,,QOKKZXRTROQJFO-UHFFFAOYSA-N,,,,,,,,,,,
100.078.450,286-326-6,85204-30-4,"4-(1,1-dimethylethyl)cyclohexylmethyl propanoate",(4-tert-butylcyclohexyl)methyl propionate,CCC(=O)OCC1CCC(CC1)C(C)(C)C,CCC(=O)OCC1CCC(CC1)C(C)(C)C,"InChI=1/C14H26O2/c1-5-13(15)16-10-11-6-8-12(9-7-11)14(2,3)4/h11-12H,5-10H2,1-4H3",C14H26O2,,,,,,ZIDAWTMANIWWBB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.453,286-329-2,85204-33-7,Sodium 3-amino-4-(octadecylamino)benzenesulphonate,sodium 3-amino-4-(octadecylamino)benzenesulfonate,[Na+].CCCCCCCCCCCCCCCCCCNc1ccc(cc1N)S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCNc1ccc(cc1N)S(=O)(=O)[O-],"InChI=1/C24H44N2O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-24-19-18-22(21-23(24)25)30(27,28)29;/h18-19,21,26H,2-17,20,25H2,1H3,(H,27,28,29);/q;+1/p-1",C24H44N2O3S.Na,,,,,,LHNZJXSWAPFBDZ-UHFFFAOYSA-M,,,,,,,,,,,
100.078.465,286-342-3,85204-55-3,"2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate","2-(2-{4-[(2-chloroethyl)(methyl)amino]phenyl}vinyl)-1,3,3-trimethyl-3H-indolium methyl sulfate",COS(=O)(=O)[O-].CN(CCCl)c1ccc(\\C=C\\C2=[N+](C)c3ccccc3C2(C)C)cc1,COS(=O)(=O)[O-].CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1,"InChI=1/C22H26ClN2.CH4O4S/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5-6(2,3)4/h5-14H,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",C22H26ClN2.CH3O4S,,,,,,BRCNZYZVEHXRLP-UHFFFAOYSA-M,,,,,,,,,,,
100.078.467,286-344-4,85209-91-2,"2,4,8,10-tetra(tert-butyl)-6-hydroxy-12H-dibenzo[d,g][1,3,2]dioxaphosphocin 6-oxide, sodium salt",-,[Na+].CC(C)(C)c1cc2Cc3cc(cc(c3OP(=O)(O)Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C,[Na+].CC(C)(C)c1cc2Cc3cc(cc(c3OP(=O)(O)Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C,"InChI=1/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);/q;+1",C29H43O4P.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16048,https://echa.europa.eu/substance-information/-/substanceinfo/100.078.467,ZHROMWXOTYBIMF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.471,286-349-1,85222-97-5,Ammonium 2-ethylhexyl hydrogen phosphate,ammonium 2-ethylhexyl hydrogen phosphate,[NH4+].CCCCC(CC)COP(=O)(O)[O-],[NH4+].CCCCC(CC)COP(=O)(O)[O-],"InChI=1/C8H19O4P.H3N/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);1H3",C8H19O4P.H3N,,,,,,AUZYDJMRJRSCDX-UHFFFAOYSA-N,,,,,,,,,,,
100.078.473,286-351-2,85222-99-7,"2-chloro-5-(trifluoromethyl)benzenediazonium naphthalene-1,5-disulphonate (1:1)",-,[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].FC(F)(F)c3ccc(Cl)c(c3)[N+]#N,[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].FC(F)(F)c3ccc(Cl)c(c3)[N+]#N,"InChI=1/C10H8O6S2.C7H3ClF3N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-6H,(H,11,12,13)(H,14,15,16);1-3H/q;+1/p-2",C10H7O6S2.C7H3ClF3N2,,,,,,QGGFUCKTGADFDV-UHFFFAOYSA-L,,,,,,,,,,,
100.078.482,286-361-7,85223-08-1,"1-[(5,6,7-trichloro-1,9-dihydro-2-methyl-9-oxopyrazolo[5,1-b]quinazolin-3-yl)azo]anthraquinone","1-[(5,6,7-trichloro-2-methyl-9-oxo-1,9-dihydropyrazolo[5,1-b]quinazolin-3-yl)diazenyl]-9,10-anthraquinone",O=C5c4cccc(N=N\\C3=C(/C)NN2C3=N\\c1c(Cl)c(Cl)c(Cl)cc1C2=O)c4C(=O)c6ccccc56,O=C5c4cccc(N=N\C3=C(/C)NN2C3=N\c1c(Cl)c(Cl)c(Cl)cc1C2=O)c4C(=O)c6ccccc56,"InChI=1/C25H12Cl3N5O3/c1-10-20(24-29-21-14(25(36)33(24)32-10)9-15(26)18(27)19(21)28)31-30-16-8-4-7-13-17(16)23(35)12-6-3-2-5-11(12)22(13)34/h2-9,32H,1H3",C25H12Cl3N5O3,,,,,,NCUBZKJWHZKVJX-UHFFFAOYSA-N,,,,,,,,,,,
100.080.601,288-692-2,85865-92-5,Lead bis[didodecylbenzenesulphonate],-,[Pb+4].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-],[Pb+4].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-],"InChI=1/2C30H54O3S.Pb/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+4/p-2",C30H54O3S.1/2Pb,,,,,,TWAUMPBSZDRVQL-UHFFFAOYSA-L,,,,,,,,,,,
100.080.605,288-696-4,85865-96-9,"4,4'-dithiobis(2,6-dimethylmorpholine)","4,4'-disulfanediylbis(2,6-dimethylmorpholine)",CC1CN(CC(C)O1)SSN2CC(C)OC(C)C2,CC1CN(CC(C)O1)SSN2CC(C)OC(C)C2,"InChI=1/C12H24N2O2S2/c1-9-5-13(6-10(2)15-9)17-18-14-7-11(3)16-12(4)8-14/h9-12H,5-8H2,1-4H3",C12H24N2O2S2,,,,,,HKFSGPJTXXTDTB-UHFFFAOYSA-N,,,,,,,,,,,
100.097.017,306-769-1,97404-06-3,2-(9-octadecenylamino)ethanol hydrochloride,2-(octadec-9-en-1-ylamino)ethanol hydrochloride,Cl.CCCCCCCCC=CCCCCCCCCNCCO,Cl.CCCCCCCCC=CCCCCCCCCNCCO,"InChI=1/C20H41NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22;/h9-10,21-22H,2-8,11-20H2,1H3;1H",C20H41NO.ClH,,,,,,OSCLDCSJMUFSMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.018,306-770-7,97404-07-4,N-(1-oxo-9-octadecenyl)glycine,N-oleoylglycine,O=C(CCCCCCCC=CCCCCCCCC)NCC(O)=O,O=C(CCCCCCCC=CCCCCCCCC)NCC(O)=O,"InChI=1/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)",C20H37NO3,,,,,,HPFXACZRFJDURI-UHFFFAOYSA-N,,,,,,,,,,,
100.097.021,306-773-3,97404-10-9,"Dipotassium 29-methyl-3,6,9,12,15,18-hexaoxatriacontyl phosphate","dipotassium 29-methyl-3,6,9,12,15,18-hexaoxatriacont-1-yl phosphate",[K+].[K+].CC(C)CCCCCCCCCCOCCOCCOCCOCCOCCOCCOP(=O)([O-])[O-],[K+].[K+].CC(C)CCCCCCCCCCOCCOCCOCCOCCOCCOCCOP(=O)([O-])[O-],"InChI=1/C25H53O10P.2K/c1-25(2)11-9-7-5-3-4-6-8-10-12-29-13-14-30-15-16-31-17-18-32-19-20-33-21-22-34-23-24-35-36(26,27)28;;/h25H,3-24H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2",C25H53O10P.2K,,,,,,SSXBXUNMIKCYHB-UHFFFAOYSA-L,,,,,,,,,,,
100.095.292,304-868-4,94291-45-9,2-isobutyl-5-methylanisole,1-isobutyl-2-methoxy-4-methylbenzene,COc1cc(C)ccc1CC(C)C,COc1cc(C)ccc1CC(C)C,"InChI=1/C12H18O/c1-9(2)7-11-6-5-10(3)8-12(11)13-4/h5-6,8-9H,7H2,1-4H3",C12H18O,,,,,,ITCLFWJTLBAMIG-UHFFFAOYSA-N,,,,,,,,,,,
100.095.301,304-878-9,94291-54-0,Buten-2-yl hexanoate,1-methylenepropyl hexanoate,CCCCCC(=O)OC(=C)CC,CCCCCC(=O)OC(=C)CC,"InChI=1/C10H18O2/c1-4-6-7-8-10(11)12-9(3)5-2/h3-8H2,1-2H3",C10H18O2,,,,,,WOHMRHQZSGWKOD-UHFFFAOYSA-N,,,,,,,,,,,
100.095.302,304-879-4,94291-55-1,3-butoxy-2-oxobutyraldehyde,3-butoxy-2-oxobutanal,CCCCOC(C)C(=O)C=O,CCCCOC(C)C(=O)C=O,"InChI=1/C8H14O3/c1-3-4-5-11-7(2)8(10)6-9/h6-7H,3-5H2,1-2H3",C8H14O3,,,,,,OITUYDJHTTVPLA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.305,304-883-6,94291-58-4,"a-(1,1-dimethylethyl)-2,4-dimethylcyclohex-3-ene-1-methanol","1-(2,4-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol",CC1C=C(C)CCC1C(O)C(C)(C)C,CC1C=C(C)CCC1C(O)C(C)(C)C,"InChI=1/C13H24O/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h8,10-12,14H,6-7H2,1-5H3",C13H24O,,,,,,UMOGODYPTSXWLH-UHFFFAOYSA-N,,,,,,,,,,,
100.097.069,306-827-6,97416-79-0,"4-[(4-chlorophenyl)thio]-10-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","4-[(4-chlorophenyl)sulfanyl]-10-methyl-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one",Cc1ccc2nc3c4cccc5c(Sc6ccc(Cl)cc6)ccc(C(=O)n3c2c1)c45,Cc1ccc2nc3c4cccc5c(Sc6ccc(Cl)cc6)ccc(C(=O)n3c2c1)c45,"InChI=1/C25H15ClN2OS/c1-14-5-11-20-21(13-14)28-24(27-20)18-4-2-3-17-22(12-10-19(23(17)18)25(28)29)30-16-8-6-15(26)7-9-16/h2-13H,1H3",C25H15ClN2OS,,,,,,JRSMCCXXCFDADM-UHFFFAOYSA-N,,,,,,,,,,,
100.098.843,308-787-5,98510-78-2,3-[2-hydroxy(2-methylpropoxy)phenyl]acrylic acid,3-(2-hydroxy-3-isobutoxyphenyl)acrylic acid,CC(C)COc1cccc(\\C=C\\C(=O)O)c1O,CC(C)COc1cccc(\C=C\C(=O)O)c1O,"InChI=1/C13H16O4/c1-9(2)8-17-11-5-3-4-10(13(11)16)6-7-12(14)15/h3-7,9,16H,8H2,1-2H3,(H,14,15)",C13H16O4,,,,,,CAQDGHXUYYLXHM-VOTSOKGWSA-N,,,,,,,,,,,
100.095.323,304-902-8,94291-76-6,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl) hydrogen phosphate - 2,2'-iminodiethanol (1:1)",OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C36H9F66O4P.C4H11NO2/c37-5(38,7(41,42)9(45,46)11(49,50)13(53,54)15(57,58)17(61,62)19(65,66)21(69,70)23(73,74)25(77,78)27(81,82)29(85,86)31(89,90)33(93,94)35(97,98)99)1-3-105-107(103,104)106-4-2-6(39,40)8(43,44)10(47,48)12(51,52)14(55,56)16(59,60)18(63,64)20(67,68)22(71,72)24(75,76)26(79,80)28(83,84)30(87,88)32(91,92)34(95,96)36(100,101)102;6-3-1-5-2-4-7/h1-4H2,(H,103,104);5-7H,1-4H2",C36H9F66O4P.C4H11NO2,,,,,,ASQHIVLTDYBZHV-UHFFFAOYSA-N,,,,,,,,,,,
100.095.326,304-905-4,94291-79-9,1-isopropyl-4-methylpent-1-enyl acetate,1-isopropyl-4-methylpent-1-en-1-yl acetate,CC(=O)OC(=CCC(C)C)C(C)C,CC(=O)OC(=CCC(C)C)C(C)C,"InChI=1/C11H20O2/c1-8(2)6-7-11(9(3)4)13-10(5)12/h7-9H,6H2,1-5H3",C11H20O2,,,,,,AYKLIRYFVQAMPD-UHFFFAOYSA-N,,,,,,,,,,,
100.095.328,304-908-0,94291-81-3,"1-[3,4-bis(1-methylethyl)phenyl]ethan-1-one","1-(3,4-diisopropylphenyl)ethanone",CC(C)c1ccc(cc1C(C)C)C(=O)C,CC(C)c1ccc(cc1C(C)C)C(=O)C,"InChI=1/C14H20O/c1-9(2)13-7-6-12(11(5)15)8-14(13)10(3)4/h6-10H,1-5H3",C14H20O,,,,,,ZDINBUUATIMDHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.335,304-915-9,94291-88-0,1-(decyloxy)-1-methoxyundecane,1-(decyloxy)-1-methoxyundecane,CCCCCCCCCCOC(CCCCCCCCCC)OC,CCCCCCCCCCOC(CCCCCCCCCC)OC,"InChI=1/C22H46O2/c1-4-6-8-10-12-14-16-18-20-22(23-3)24-21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3",C22H46O2,,,,,,KMMDBOHVGMLBDW-UHFFFAOYSA-N,,,,,,,,,,,
100.080.609,288-702-5,85866-00-8,"2,2-bis[[(1-oxoallyl)oxy]methyl]butyl 13-(hydroxymethyl)-10,16-dioxo-13-[[(1-oxoallyl)oxy]methyl]-11,15-dioxa-2,9-diazaoctadec-17-enoate","2,17-bis[(acryloyloxy)methyl]-17-ethyl-2-(hydroxymethyl)-5,14,20-trioxo-4,15,19-trioxa-6,13-diazadocos-21-en-1-yl acrylate (non-preferred name)",CCC(COC(=O)NCCCCCCNC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,CCC(COC(=O)NCCCCCCNC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1/C31H46N2O13/c1-6-24(35)41-18-30(10-5,19-42-25(36)7-2)20-45-28(39)32-15-13-11-12-14-16-33-29(40)46-23-31(17-34,21-43-26(37)8-3)22-44-27(38)9-4/h6-9,34H,1-4,10-23H2,5H3,(H,32,39)(H,33,40)",C31H46N2O13,,,,,,RHXQAXOEKCKWIR-UHFFFAOYSA-N,,,,,,,,,,,
100.078.496,286-376-9,85223-22-9,"2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methoxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one","2'-anilino-6'-[ethyl(4-methylphenyl)amino]-3'-methoxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",CCN(c1ccc(C)cc1)c2ccc3c(Oc4cc(OC)c(Nc5ccccc5)cc4C36OC(=O)c7ccccc67)c2,CCN(c1ccc(C)cc1)c2ccc3c(Oc4cc(OC)c(Nc5ccccc5)cc4C36OC(=O)c7ccccc67)c2,"InChI=1/C36H30N2O4/c1-4-38(25-16-14-23(2)15-17-25)26-18-19-29-32(20-26)41-33-22-34(40-3)31(37-24-10-6-5-7-11-24)21-30(33)36(29)28-13-9-8-12-27(28)35(39)42-36/h5-22,37H,4H2,1-3H3",C36H30N2O4,,,,,,UFWMJNGNDZLVJI-UHFFFAOYSA-N,,,,,,,,,,,
100.080.615,288-708-8,85866-06-4,"1,1'-oxybispentan-2-ol","1,1'-oxydipentan-2-ol",CCCC(O)COCC(O)CCC,CCCC(O)COCC(O)CCC,"InChI=1/C10H22O3/c1-3-5-9(11)7-13-8-10(12)6-4-2/h9-12H,3-8H2,1-2H3",C10H22O3,,,,,,MWYYZQGERICSFY-UHFFFAOYSA-N,,,,,,,,,,,
100.080.617,288-710-9,85866-08-6,"1,1'-oxydi(hexan-2-ol)","1,1'-oxydihexan-2-ol",CCCCC(O)COCC(O)CCCC,CCCCC(O)COCC(O)CCCC,"InChI=1/C12H26O3/c1-3-5-7-11(13)9-15-10-12(14)8-6-4-2/h11-14H,3-10H2,1-2H3",C12H26O3,,,,,,RYRFLXXPQQYFTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.080.618,288-711-4,85866-09-7,"Tetradec-13-ene-1,2-diol","tetradec-13-ene-1,2-diol",OCC(O)CCCCCCCCCCC=C,OCC(O)CCCCCCCCCCC=C,"InChI=1/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h2,14-16H,1,3-13H2",C14H28O2,,,,,,KLRIGFIZXKJATE-UHFFFAOYSA-N,,,,,,,,,,,
100.080.620,288-714-0,85866-11-1,"3-allyldecahydro-7-methyl-1,4-methanonaphthalen-6-ol","3-allyl-7-methyldecahydro-1,4-methanonaphthalen-6-ol",CC1CC2C3CC(CC=C)C(C3)C2CC1O,CC1CC2C3CC(CC=C)C(C3)C2CC1O,"InChI=1/C15H24O/c1-3-4-10-6-11-7-13(10)14-8-15(16)9(2)5-12(11)14/h3,9-16H,1,4-8H2,2H3",C15H24O,,,,,,JGRFFEIFPHSPDF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.644,286-538-9,85252-22-8,5-chloro-2-methoxybenzenediazonium tetrachlorozincate (2:1),bis(5-chloro-2-methoxybenzenediazonium) tetrachlorozincate(2-),COc1ccc(Cl)cc1[N+]#N.COc2ccc(Cl)cc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,COc1ccc(Cl)cc1[N+]#N.COc2ccc(Cl)cc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C7H6ClN2O.4ClH.Zn/c2*1-11-7-3-2-5(8)4-6(7)10-9;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C7H6ClN2O.Cl4Zn/c2*1-11-7-3-2-5(8)4-6(7)10-9;1-5(2,3)4/h2*2-4H,1H3;/q2*+1;-2",C7H6ClN2O.1/2Cl4Zn,,,,,,YHUGASVQWCSKGW-UHFFFAOYSA-J,,,,,,,,,,,
100.078.653,286-548-3,85252-31-9,Sodium 4-[[4-[nitroanilino]phenyl]azo]benzenesulphonate,sodium 4-({4-[(2-nitrophenyl)amino]phenyl}diazenyl)benzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3[N+]([O-])=O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3[N+]([O-])=O,"InChI=1/C18H14N4O5S.Na/c23-22(24)18-4-2-1-3-17(18)19-13-5-7-14(8-6-13)20-21-15-9-11-16(12-10-15)28(25,26)27;/h1-12,19H,(H,25,26,27);/q;+1/p-1",C18H14N4O5S.Na,,,,,,PYIAQEDVAJVCGA-UHFFFAOYSA-M,,,,,,,,,,,
100.078.656,286-552-5,85263-74-7,Benzyl docosanoate,benzyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1,CCCCCCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1,"InChI=1/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(30)31-27-28-24-21-20-22-25-28/h20-22,24-25H,2-19,23,26-27H2,1H3",C29H50O2,,,,,,FYOGVGKALAEVBF-UHFFFAOYSA-N,,,,,,,,,,,
100.078.673,286-570-3,85272-51-1,Sodium 4-chloro-2-oxo-2H-benzothiazole-3-acetate,"sodium (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate",[Na+].[O-]C(=O)CN1C(=O)Sc2cccc(Cl)c12,[Na+].[O-]C(=O)CN1C(=O)Sc2cccc(Cl)c12,"InChI=1/C9H6ClNO3S.Na/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;/h1-3H,4H2,(H,12,13);/q;+1/p-1",C9H6ClNO3S.Na,,,,,,SOJNIFANAIIRLQ-UHFFFAOYSA-M,,,,,,,,,,,
100.083.958,292-388-5,90604-91-4,"Ethanol, 2-ethoxy-, phosphate, sodium salt",-,[Na+].CCOCCOP(=O)([O-])[O-],[Na+].CCOCCOP(=O)([O-])[O-],"InChI=1/C4H11O5P.Na/c1-2-8-3-4-9-10(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-2",-,,,,,,VSHJVKIEVDVXEA-UHFFFAOYSA-L,,,,,,,,,,,
100.078.703,286-603-1,85283-76-7,"[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium sulphate","bis[2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium] sulfate",[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,"InChI=1/2C22H29N6S.H2O4S/c2*1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-5(2,3)4/h2*7-13,16H,6,14-15H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2",C22H29N6S.1/2O4S,,,,,,OOWAOAQRKOTNCL-UHFFFAOYSA-L,,,,,,,,,,,
100.095.336,304-916-4,94291-89-1,"8-(decyloxy)-8-methoxy-2,6-dimethyloctan-2-ol","8-(decyloxy)-8-methoxy-2,6-dimethyloctan-2-ol",CCCCCCCCCCOC(CC(C)CCCC(C)(C)O)OC,CCCCCCCCCCOC(CC(C)CCCC(C)(C)O)OC,"InChI=1/C21H44O3/c1-6-7-8-9-10-11-12-13-17-24-20(23-5)18-19(2)15-14-16-21(3,4)22/h19-20,22H,6-18H2,1-5H3",C21H44O3,,,,,,XQLDKYPNLRNPAF-UHFFFAOYSA-N,,,,,,,,,,,
100.095.340,304-921-1,94291-93-7,Bis[2-[(2-octyldodecyl)oxy]ethyl] N-(1-oxododecyl)-L-glutamate,bis{2-[(2-octyldodecyl)oxy]ethyl} N-dodecanoyl-L-glutamate,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCCOCC(CCCCCCCC)CCCCCCCCCC)C(=O)OCCOCC(CCCCCCCC)CCCCCCCCCC,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCCOCC(CCCCCCCC)CCCCCCCCCC)C(=O)OCCOCC(CCCCCCCC)CCCCCCCCCC,"InChI=1/C61H119NO7/c1-6-11-16-21-26-29-32-37-42-47-59(63)62-58(61(65)69-53-51-67-55-57(44-39-34-25-20-15-10-5)46-41-36-31-28-23-18-13-8-3)48-49-60(64)68-52-50-66-54-56(43-38-33-24-19-14-9-4)45-40-35-30-27-22-17-12-7-2/h56-58H,6-55H2,1-5H3,(H,62,63)",C61H119NO7,,,,,,GURBNZOWXLYRSW-UPJARBDLSA-N,,,,,,,,,,,
100.095.773,305-397-7,94481-70-6,"4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-carbaldehyde","4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-carbaldehyde",CC1=CC2C(CC1C=O)C2(C)C,CC1=CC2C(CC1C=O)C2(C)C,"InChI=1/C11H16O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h4,6,8-10H,5H2,1-3H3",C11H16O,,,,,,MEJAQLNAKXUXHT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.776,305-400-1,94481-73-9,"(S)-3,7-dimethyloct-7-enyl acetate","3,7-dimethyloct-7-en-1-yl acetate",C[C@@H](CCCC(=C)C)CCOC(=O)C,C[C@@H](CCCC(=C)C)CCOC(=O)C,"InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3",C12H22O2,,,,,,WNXJCQNXNOOMDJ-NSHDSACASA-N,,,,,,,,,,,
100.098.850,308-794-3,98510-86-2,"Bis(sec-butyl) hydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:1)",di-sec-butyl hydrogen phosphate - 2-ethyl-N-(2-ethylhexyl)hexan-1-amine (1:1),CCCCC(CC)CNCC(CC)CCCC.CCC(C)OP(=O)(O)OC(C)CC,CCCCC(CC)CNCC(CC)CCCC.CCC(C)OP(=O)(O)OC(C)CC,"InChI=1/C16H35N.C8H19O4P/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-5-7(3)11-13(9,10)12-8(4)6-2/h15-17H,5-14H2,1-4H3;7-8H,5-6H2,1-4H3,(H,9,10)",C16H35N.C8H19O4P,,,,,,MTSASQKNDGYCRI-UHFFFAOYSA-N,,,,,,,,,,,
100.096.894,306-634-7,97358-59-3,3-(3-ethyl-4-piperidyl)-1-[6-[(1-methylheptyl)oxy]-3-quinolyl]propan-1-one monohydrochloride,3-(3-ethylpiperidin-4-yl)-1-{6-[(1-methylheptyl)oxy]quinolin-3-yl}propan-1-one hydrochloride,Cl.CCCCCCC(C)Oc1ccc2ncc(cc2c1)C(=O)CCC3CCNCC3CC,Cl.CCCCCCC(C)Oc1ccc2ncc(cc2c1)C(=O)CCC3CCNCC3CC,"InChI=1/C27H40N2O2.ClH/c1-4-6-7-8-9-20(3)31-25-11-12-26-23(17-25)16-24(19-29-26)27(30)13-10-22-14-15-28-18-21(22)5-2;/h11-12,16-17,19-22,28H,4-10,13-15,18H2,1-3H3;1H",C27H40N2O2.ClH,,,,,,AGWXHINPZOQOJD-UHFFFAOYSA-N,,,,,,,,,,,
100.098.651,308-574-7,98106-53-7,Tetraaluminium zirconium trichloride tridecahydroxide,tetraaluminium zirconium trichloride tridecahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Zr+2],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Zr+2],InChI=1/4Al.3ClH.13H2O.Zr/h;;;;3*1H;13*1H2;/q4*+3;;;;;;;;;;;;;;;;;+2/p-16,Al4Cl3H13O13Zr,,,,,,VLTIAUAQCDJSCV-UHFFFAOYSA-A,,,,,,,,,,,
100.096.929,306-672-4,97375-17-2,"a-methyl-N,N-bis[4-(1-methyl-2-phenylethyl)phenyl]phenethylamine","N,4-bis(1-methyl-2-phenylethyl)-N-[4-(1-methyl-2-phenylethyl)phenyl]aniline",CC(Cc1ccccc1)N(c2ccc(cc2)C(C)Cc3ccccc3)c4ccc(cc4)C(C)Cc5ccccc5,CC(Cc1ccccc1)N(c2ccc(cc2)C(C)Cc3ccccc3)c4ccc(cc4)C(C)Cc5ccccc5,"InChI=1/C39H41N/c1-30(27-33-13-7-4-8-14-33)36-19-23-38(24-20-36)40(32(3)29-35-17-11-6-12-18-35)39-25-21-37(22-26-39)31(2)28-34-15-9-5-10-16-34/h4-26,30-32H,27-29H2,1-3H3",C39H41N,,,,,,OJNZEVPXRZRZID-UHFFFAOYSA-N,,,,,,,,,,,
100.096.931,306-675-0,97375-19-4,N-[2-(dimethylamino)ethyl]stearamide monohydrochloride,N-[2-(dimethylamino)ethyl]octadecanamide hydrochloride,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCN(C)C,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCN(C)C,"InChI=1/C22H46N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24(2)3;/h4-21H2,1-3H3,(H,23,25);1H",C22H46N2O.ClH,,,,,,QVROVKYWXDCPTN-UHFFFAOYSA-N,,,,,,,,,,,
100.096.933,306-677-1,97375-21-8,Ammonium thulium(3+) disulphate,ammonium thulium(3+) disulphate,[NH4+].[Tm+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Tm+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S.Tm/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);/q;;;+3/p-3",H3N.2H2O4S.Tm,,,,,,LTXLSPQOIMJDPQ-UHFFFAOYSA-K,,,,,,,,,,,
100.096.934,306-678-7,97375-22-9,Ammonium yttrium(3+) disulphate,ammonium yttrium(3+) disulphate,[NH4+].[Y+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Y+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/H3N.2H2O4S.Y/c;2*1-5(2,3)4;/h1H3;2*(H2,1,2,3,4);/q;;;+3/p-3",H3N.2H2O4S.Y,,,,,,NTPIOLYXYJRVLR-UHFFFAOYSA-K,,,,,,,,,,,
100.096.935,306-679-2,97375-23-0,Ammonium holmium(3+) disulphate,ammonium holmium(3+) disulphate,[NH4+].[Ho+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Ho+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Ho.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",H3N.2H2O4S.Ho,,,,,,MGASNGITCBLJDL-UHFFFAOYSA-K,,,,,,,,,,,
100.096.957,306-703-1,97392-68-2,4-(dimethylamino)piperidine-4-carboxamide dihydrochloride,4-(dimethylamino)piperidine-4-carboxamide dihydrochloride,Cl.Cl.CN(C)C1(CCNCC1)C(=O)N,Cl.Cl.CN(C)C1(CCNCC1)C(=O)N,"InChI=1/C8H17N3O.2ClH/c1-11(2)8(7(9)12)3-5-10-6-4-8;;/h10H,3-6H2,1-2H3,(H2,9,12);2*1H",C8H17N3O.2ClH,,,,,,YINLUNLOGZSSLU-UHFFFAOYSA-N,,,,,,,,,,,
100.078.704,286-604-7,85283-77-8,"[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium chloride","2-(ethyl{3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl}amino)-N,N,N-trimethylethanaminium chloride",[Cl-].C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,[Cl-].C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3,"InChI=1/C22H29N6S.ClH/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;/h7-13,16H,6,14-15H2,1-5H3;1H/q+1;/p-1",C22H29N6S.Cl,,,,,,XVIPFKKMPYQLDA-UHFFFAOYSA-M,,,,,,,,,,,
100.078.712,286-613-6,85283-85-8,1-amino-4-[[4-[2-(diethylamino)ethoxy]phenyl]amino]anthraquinone monoacetate,"1-amino-4-({4-[2-(diethylamino)ethoxy]phenyl}amino)-9,10-anthraquinone acetate",CCN(CC)CCOc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1.CC(=O)O,CCN(CC)CCOc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1.CC(=O)O,"InChI=1/C26H27N3O3.C2H4O2/c1-3-29(4-2)15-16-32-18-11-9-17(10-12-18)28-22-14-13-21(27)23-24(22)26(31)20-8-6-5-7-19(20)25(23)30;1-2(3)4/h5-14,28H,3-4,15-16,27H2,1-2H3;1H3,(H,3,4)",C26H27N3O3.C2H4O2,,,,,,WJWVABVSKCSYRS-UHFFFAOYSA-N,,,,,,,,,,,
100.078.714,286-615-7,85283-87-0,Bis[2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium] sulphate,"bis(2-{[4-(dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium) sulfate",[O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,[O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC,"InChI=1/2C17H19N4OS.H2O4S/c2*1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;1-5(2,3)4/h2*5-11H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",C17H19N4OS.1/2O4S,,,,,,LRFKECSFBCXVNM-UHFFFAOYSA-L,,,,,,,,,,,
100.078.723,286-625-1,85283-97-2,"2,7-Naphthalenedisulfonic acid, 4-[[4'-[(2,4-diamino-5-sulfophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-3-hydroxy-, sodium salt, compd. with 2,2',2''-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]","sodium 4-({4'-[(2,4-diamino-5-sulfophenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-3-hydroxy-7-sulfonaphthalene-2-sulfonate 2,2',2''-[nitrilotris(ethane-2,1-diyloxy)]triethanol (1:1)",[Na+].OCCOCCN(CCOCCO)CCOCCO.OS(=O)(=O)c5cc(N=Nc1ccc(cc1OC)c4ccc(N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S(O)(=O)=O)c(OC)c4)c(N)cc5N,[Na+].OCCOCCN(CCOCCO)CCOCCO.OS(=O)(=O)c5cc(N=Nc1ccc(cc1OC)c4ccc(N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S(O)(=O)=O)c(OC)c4)c(N)cc5N,"InChI=1/C30H26N6O12S3.C12H27NO6.Na/c1-47-25-10-15(3-7-22(25)33-35-24-14-27(50(41,42)43)21(32)13-20(24)31)16-4-8-23(26(11-16)48-2)34-36-29-19-6-5-18(49(38,39)40)9-17(19)12-28(30(29)37)51(44,45)46;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h3-14,37H,31-32H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46);14-16H,1-12H2;/q;;+1/p-1",C30H26N6O12S3.xC12H27NO6.xNa,,,,,,YIGASRMLRPKPTD-UHFFFAOYSA-M,,,,,,,,,,,
100.078.724,286-626-7,85283-98-3,"2,7-Naphthalenedisulfonic acid, 4-amino-6-[[4'-[(2,4-diamino-5-sulfophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-3-[(4-nitrophenyl)azo]-, sodium salt, compd. with 2,2',2''-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]","sodium 4-amino-6-({4'-[(2,4-diamino-5-sulfophenyl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}diazenyl)-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonaphthalene-2-sulfonate 2,2',2''-[nitrilotris(ethane-2,1-diyloxy)]triethanol (1:1)",[Na+].OCCOCCN(CCOCCO)CCOCCO.COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)[N+]([O-])=O)c(N)c2c3O)S([O-])(=O)=O)S(O)(=O)=O)c6ccc(N=Nc5cc(c(N)cc5N)S(O)(=O)=O)c(OC)c6,[Na+].OCCOCCN(CCOCCO)CCOCCO.COc4cc(ccc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)[N+]([O-])=O)c(N)c2c3O)S([O-])(=O)=O)S(O)(=O)=O)c6ccc(N=Nc5cc(c(N)cc5N)S(O)(=O)=O)c(OC)c6,"InChI=1/C36H30N10O14S3.C12H27NO6.Na/c1-59-27-11-17(3-9-24(27)41-43-26-16-29(61(50,51)52)23(38)15-22(26)37)18-4-10-25(28(12-18)60-2)42-45-35-31(63(56,57)58)14-19-13-30(62(53,54)55)34(33(39)32(19)36(35)47)44-40-20-5-7-21(8-6-20)46(48)49;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h3-16,47H,37-39H2,1-2H3,(H,50,51,52)(H,53,54,55)(H,56,57,58);14-16H,1-12H2;/q;;+1/p-1",C36H30N10O14S3.xC12H27NO6.xNa,,,,,,XZHVZAZJFIXCCO-UHFFFAOYSA-M,,,,,,,,,,,
100.078.731,286-634-0,85284-14-6,Bis(2-butoxyethyl) undecanedioate,bis(2-butoxyethyl) undecanedioate,CCCCOCCOC(=O)CCCCCCCCCC(=O)OCCOCCCC,CCCCOCCOC(=O)CCCCCCCCCC(=O)OCCOCCCC,"InChI=1/C23H44O6/c1-3-5-16-26-18-20-28-22(24)14-12-10-8-7-9-11-13-15-23(25)29-21-19-27-17-6-4-2/h3-21H2,1-2H3",C23H44O6,,,,,,QDDSVTIBJSLCJB-UHFFFAOYSA-N,,,,,,,,,,,
100.078.732,286-635-6,85284-15-7,"Sodium 4-[[1,3,4,5,5,5-hexafluoro-1-(pentafluoroethyl)-2,4-bis(trifluoromethyl)-2-pentenyl]oxy]benzenesulphonate","sodium 4-{[1,3,4,5,5,5-hexafluoro-1-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-en-1-yl]oxy}benzenesulfonate",[Na+].FC(Oc1ccc(cc1)S([O-])(=O)=O)(C(=C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F,[Na+].FC(Oc1ccc(cc1)S([O-])(=O)=O)(C(=C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F,"InChI=1/C15H5F17O4S.Na/c16-8(9(17,13(24,25)26)14(27,28)29)7(11(19,20)21)10(18,12(22,23)15(30,31)32)36-5-1-3-6(4-2-5)37(33,34)35;/h1-4H,(H,33,34,35);/q;+1/p-1",C15H5F17O4S.Na,,,,,,MOCCJVUOTMVYOZ-UHFFFAOYSA-M,,,,,,,,,,,
100.078.736,286-639-8,85293-34-1,Diethyl[2-[3-(2-furyl)-2-(2-naphthylmethyl)propionyloxy]ethyl]ammonium dihydrogen citrate,"N,N-diethyl-2-{[3-(2-furyl)-2-(2-naphthylmethyl)propanoyl]oxy}ethanaminium dihydrogen citrate",CC[NH+](CC)CCOC(=O)C(Cc1occc1)Cc2ccc3ccccc3c2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],CC[NH+](CC)CCOC(=O)C(Cc1occc1)Cc2ccc3ccccc3c2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C24H29NO3.C6H8O7/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-12,14,16,22H,3-4,13,15,17-18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2",C24H33NO3.C6H8O7,,,,,,AUSMPIIKVKFBPZ-UHFFFAOYSA-L,,,,,,,,,,,
100.096.959,306-705-2,97392-70-6,Diphenylpentadecane,"1,1'-pentadecane-1,1-diyldibenzene",CCCCCCCCCCCCCCC(c1ccccc1)c2ccccc2,CCCCCCCCCCCCCCC(c1ccccc1)c2ccccc2,"InChI=1/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-27(25-20-15-13-16-21-25)26-22-17-14-18-23-26/h13-18,20-23,27H,2-12,19,24H2,1H3",C27H40,,,,,,AEUSNXZAJFBBMS-UHFFFAOYSA-N,,,,,,,,,,,
100.098.681,308-609-6,98143-44-3,"1-Tetradecanol, phosphate, compd. with 2,2'-iminobis[ethanol]",-,CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO,CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO,"InChI=1/C14H31O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-3-1-5-2-4-7/h2-14H2,1H3,(H2,15,16,17);5-7H,1-4H2/p-2",-,,,,,,ILRIOLRTHYIKHL-UHFFFAOYSA-L,,,,,,,,,,,
100.098.685,308-613-8,98143-48-7,"1-Docosanol, phosphate, compd. with 2-aminoethanol",-,CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO,CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO,"InChI=1/C22H47O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;3-1-2-4/h2-22H2,1H3,(H2,23,24,25);4H,1-3H2/p-2",-,,,,,,GSXAUNRJTKBWLM-UHFFFAOYSA-L,,,,,,,,,,,
100.095.634,305-244-4,94386-22-8,"2,6-bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one","2,6-bis(1H-pyrrol-2-ylmethylene)cyclohexanone",O=C2/C(=C/C1=C/C=CN1)CCC\\C2=C/C3=C/C=CN3,O=C2/C(=C/C1=C/C=CN1)CCC\C2=C/C3=C/C=CN3,"InChI=1/C16H16N2O/c19-16-12(10-14-6-2-8-17-14)4-1-5-13(16)11-15-7-3-9-18-15/h2-3,6-11,17-18H,1,4-5H2",C16H16N2O,,,,,,UKIUACHVRRQMGB-DCIPZJNNSA-N,,,,,,,,,,,
100.095.637,305-248-6,94386-25-1,"Tetralithium 4-amino-6-[[4-[2-[4-[(2,4-diaminophenyl)azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]azo]-5-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","tetralithium 4-amino-6-{[4-(2-{4-[(2,4-diaminophenyl)diazenyl]-2-sulfonatophenyl}vinyl)-3-sulfonatophenyl]diazenyl}-5-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Li+].[Li+].[Li+].[Li+].Nc6ccc(N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c(N)c6,[Li+].[Li+].[Li+].[Li+].Nc6ccc(N=Nc5ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c(N)c6,"InChI=1/C36H28N10O15S4.4Li/c37-21-5-12-27(26(38)15-21)43-41-23-6-3-18(28(16-23)62(50,51)52)1-2-19-4-7-24(17-29(19)63(53,54)55)42-45-35-31(65(59,60)61)14-20-13-30(64(56,57)58)34(33(39)32(20)36(35)47)44-40-22-8-10-25(11-9-22)46(48)49;;;;/h1-17,47H,37-39H2,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4",C36H28N10O15S4.4Li,,,,,,GVCKRNAGXPCVBW-VRZBPFSNSA-J,,,,,,,,,,,
100.095.640,305-251-2,94386-29-5,5-bromodihydrofuran-2(3H)-one,5-bromodihydrofuran-2(3H)-one,BrC1CCC(=O)O1,BrC1CCC(=O)O1,"InChI=1/C4H5BrO2/c5-3-1-2-4(6)7-3/h3H,1-2H2",C4H5BrO2,,,,,,SRXYQTZEGZGPCA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.645,305-257-5,94386-35-3,"Sodium 2-[(3,6,9,12,15,18,21,24,27,30-decaoxaoctatetracont-39-enyl)oxy]-2-oxoethane-1-sulphonate","sodium 2-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxahenpentacont-42-ene-1-sulfonate",[Na+].[O-]S(=O)(=O)CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC,[Na+].[O-]S(=O)(=O)CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC,"InChI=1/C40H78O15S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-45-19-20-46-21-22-47-23-24-48-25-26-49-27-28-50-29-30-51-31-32-52-33-34-53-35-36-54-37-38-55-40(41)39-56(42,43)44;/h9-10H,2-8,11-39H2,1H3,(H,42,43,44);/q;+1/p-1",C40H78O15S.Na,,,,,,YYASUNJBAKAUBD-UHFFFAOYSA-M,,,,,,,,,,,
100.095.648,305-260-1,94386-38-6,"Sodium 2-[(3,6,9,12,15,18,21-heptaoxanonatriacont-30-enyl)oxy]-2-oxoethane-1-sulphonate","sodium 2-oxo-3,6,9,12,15,18,21,24-octaoxadotetracont-33-ene-1-sulfonate",[Na+].[O-]S(=O)(=O)CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC,[Na+].[O-]S(=O)(=O)CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC,"InChI=1/C34H66O12S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-39-19-20-40-21-22-41-23-24-42-25-26-43-27-28-44-29-30-45-31-32-46-34(35)33-47(36,37)38;/h9-10H,2-8,11-33H2,1H3,(H,36,37,38);/q;+1/p-1",C34H66O12S.Na,,,,,,KBKZYRWUYTYSKU-UHFFFAOYSA-M,,,,,,,,,,,
100.095.655,305-268-5,94386-45-5,1-methylpropyl 2-(4-chloro-2-methylphenoxy)propionate,sec-butyl 2-(4-chloro-2-methylphenoxy)propanoate,CCC(C)OC(=O)C(C)Oc1ccc(Cl)cc1C,CCC(C)OC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C14H19ClO3/c1-5-10(3)17-14(16)11(4)18-13-7-6-12(15)8-9(13)2/h6-8,10-11H,5H2,1-4H3",C14H19ClO3,,,,,,JNJWTHMHROHMGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.657,305-270-6,94386-47-7,"Disodium 3-[[4-(acetylamino)phenyl]azo]-4-amino-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","disodium 3-[(4-acetamidophenyl)diazenyl]-4-amino-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccccc3)c4O)S([O-])(=O)=O,"InChI=1/C24H20N6O8S2.2Na/c1-13(31)26-15-7-9-17(10-8-15)28-29-22-18(39(33,34)35)11-14-12-19(40(36,37)38)23(24(32)20(14)21(22)25)30-27-16-5-3-2-4-6-16;;/h2-12,32H,25H2,1H3,(H,26,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C24H20N6O8S2.2Na,,,,,,OJIOURLXQNHTHO-UHFFFAOYSA-L,,,,,,,,,,,
100.095.660,305-273-2,94386-50-2,Ethyl 2-(p-tert-butylphenoxy)tetradecanoate,ethyl 2-(4-tert-butylphenoxy)tetradecanoate,CCCCCCCCCCCCC(Oc1ccc(cc1)C(C)(C)C)C(=O)OCC,CCCCCCCCCCCCC(Oc1ccc(cc1)C(C)(C)C)C(=O)OCC,"InChI=1/C26H44O3/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(27)28-7-2)29-23-20-18-22(19-21-23)26(3,4)5/h18-21,24H,6-17H2,1-5H3",C27H46O3,,,,,,UGKIYNOAGXCLFG-UHFFFAOYSA-N,,,,,,,,,,,
100.083.788,292-201-7,90563-18-1,N-[[[(4-aminophenyl)sulphonyl]amino]iminomethyl]acetamide,N-{[(4-aminophenyl)sulfonyl]carbamimidoyl}acetamide,CC(=O)NC(=N)NS(=O)(=O)c1ccc(N)cc1,CC(=O)NC(=N)NS(=O)(=O)c1ccc(N)cc1,"InChI=1/C9H12N4O3S/c1-6(14)12-9(11)13-17(15,16)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H3,11,12,13,14)",C9H12N4O3S,,,,,,RCXZLMANBYKPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.033,303-482-3,94200-06-3,2-ethylheptyl formate,2-ethylheptyl formate,CCCCCC(CC)COC=O,CCCCCC(CC)COC=O,"InChI=1/C10H20O2/c1-3-5-6-7-10(4-2)8-12-9-11/h9-10H,3-8H2,1-2H3",C10H20O2,,,,,,RKHIJTPJWVVCHK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.046,303-497-5,94200-21-2,"Sebacic acid, compound with 2,2'-iminodiethanol (1:1)","decanedioic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OC(=O)CCCCCCCCC(=O)O,OCCNCCO.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C4H11NO2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;6-3-1-5-2-4-7/h1-8H2,(H,11,12)(H,13,14);5-7H,1-4H2",C10H18O4.C4H11NO2,,,,,,MXBMZMIQYRQONB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.053,303-505-7,94200-29-0,Bis[p-(1-phenylethyl)phenyl] hydrogen phosphate,bis[4-(1-phenylethyl)phenyl] hydrogen phosphate,CC(c1ccccc1)c2ccc(OP(=O)(O)Oc3ccc(cc3)C(C)c4ccccc4)cc2,CC(c1ccccc1)c2ccc(OP(=O)(O)Oc3ccc(cc3)C(C)c4ccccc4)cc2,"InChI=1/C28H27O4P/c1-21(23-9-5-3-6-10-23)25-13-17-27(18-14-25)31-33(29,30)32-28-19-15-26(16-20-28)22(2)24-11-7-4-8-12-24/h3-22H,1-2H3,(H,29,30)",C28H27O4P,,,,,,CKFVRNZEOLGLQG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.055,303-507-8,94200-31-4,2-(1-phenylethyl)phenyl dihydrogen phosphate,2-(1-phenylethyl)phenyl dihydrogen phosphate,OP(O)(=O)Oc2ccccc2C(C)c1ccccc1,OP(O)(=O)Oc2ccccc2C(C)c1ccccc1,"InChI=1/C14H15O4P/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-19(15,16)17/h2-11H,1H3,(H2,15,16,17)",C14H15O4P,,,,,,FYMUMQJGVYLCJF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.056,303-508-3,94200-32-5,p-(1-phenylethyl)phenyl dihydrogen phosphate,4-(1-phenylethyl)phenyl dihydrogen phosphate,OP(O)(=O)Oc1ccc(cc1)C(C)c2ccccc2,OP(O)(=O)Oc1ccc(cc1)C(C)c2ccccc2,"InChI=1/C14H15O4P/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)18-19(15,16)17/h2-11H,1H3,(H2,15,16,17)",C14H15O4P,,,,,,GOQMSORPLCOQCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.061,303-514-6,94200-37-0,4-[[2-bromo-4-(vinylsulphonyl)phenyl]azo]-N-phenylaniline,4-{[2-bromo-4-(vinylsulfonyl)phenyl]diazenyl}-N-phenylaniline,Brc3cc(ccc3N=Nc2ccc(Nc1ccccc1)cc2)S(=O)(=O)C=C,Brc3cc(ccc3N=Nc2ccc(Nc1ccccc1)cc2)S(=O)(=O)C=C,"InChI=1/C20H16BrN3O2S/c1-2-27(25,26)18-12-13-20(19(21)14-18)24-23-17-10-8-16(9-11-17)22-15-6-4-3-5-7-15/h2-14,22H,1H2",C20H16BrN3O2S,,,,,,BRFATZOQSWKYQG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.062,303-515-1,94200-38-1,"2-(3-amino-2,2-dimethylpropyl)-6-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dione","2-(3-amino-2,2-dimethylpropyl)-6-methoxy-1H-benzo[de]isoquinoline-1,3(2H)-dione",COc1ccc2C(=O)N(CC(C)(C)CN)C(=O)c3cccc1c23,COc1ccc2C(=O)N(CC(C)(C)CN)C(=O)c3cccc1c23,"InChI=1/C18H20N2O3/c1-18(2,9-19)10-20-16(21)12-6-4-5-11-14(23-3)8-7-13(15(11)12)17(20)22/h4-8H,9-10,19H2,1-3H3",C18H20N2O3,,,,,,OAXARIFQDZZRGL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.063,303-516-7,94200-39-2,2-[(2-ethylhexyl)amino]ethanesulphonic acid,2-[(2-ethylhexyl)amino]ethanesulfonic acid,CCCCC(CC)CNCCS(=O)(=O)O,CCCCC(CC)CNCCS(=O)(=O)O,"InChI=1/C10H23NO3S/c1-3-5-6-10(4-2)9-11-7-8-15(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)",C10H23NO3S,,,,,,PERNZMXFAMSERD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.065,303-518-8,94200-41-6,"1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-[2,4,6-tri-sec-butylphenoxy]propan-2-ol]","1-[4-(1-{4-[2-hydroxy-3-(2,4,6-tri-sec-butylphenoxy)propoxy]phenyl}-1-methylethyl)phenoxy]-3-(2,4,6-tri-sec-butylphenoxy)propan-2-ol (non-preferred name)",CCC(C)c1cc(C(C)CC)c(OCC(O)COc2ccc(cc2)C(C)(C)c3ccc(OCC(O)COc4c(cc(cc4C(C)CC)C(C)CC)C(C)CC)cc3)c(c1)C(C)CC,CCC(C)c1cc(C(C)CC)c(OCC(O)COc2ccc(cc2)C(C)(C)c3ccc(OCC(O)COc4c(cc(cc4C(C)CC)C(C)CC)C(C)CC)cc3)c(c1)C(C)CC,"InChI=1/C57H84O6/c1-15-37(7)43-29-51(39(9)17-3)55(52(30-43)40(10)18-4)62-35-47(58)33-60-49-25-21-45(22-26-49)57(13,14)46-23-27-50(28-24-46)61-34-48(59)36-63-56-53(41(11)19-5)31-44(38(8)16-2)32-54(56)42(12)20-6/h21-32,37-42,47-48,58-59H,15-20,33-36H2,1-14H3",C57H84O6,,,,,,SLDYGTLMRKOBSY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.066,303-519-3,94200-42-7,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H8F25O5P/c16-4(17,1-3(41)2-45-46(42,43)44)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)40/h3,41H,1-2H2,(H2,42,43,44)",C15H8F25O5P,,,,,,CTRZOOKWLBIDKA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.067,303-520-9,94200-43-8,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxyheptadecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxyheptadecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C17H8F29O5P/c18-4(19,1-3(47)2-51-52(48,49)50)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)16(42,43)17(44,45)46/h3,47H,1-2H2,(H2,48,49,50)",C17H8F29O5P,,,,,,OPYLRJAHXRPJLM-UHFFFAOYSA-N,,,,,,,,,,,
100.095.661,305-274-8,94386-51-3,1-O-[2-hydroxy-3-[[2-[oleoylamino]ethyl]amino]propyl]-D-glucitol,1-O-(2-hydroxy-3-{[2-(oleoylamino)ethyl]amino}propyl)-D-glucitol,CCCCCCCC\\C=C/CCCCCCCC(=O)NCCNCC(O)COC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCC(O)COC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1/C29H58N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(36)31-19-18-30-20-24(33)22-39-23-26(35)29(38)28(37)25(34)21-32/h9-10,24-26,28-30,32-35,37-38H,2-8,11-23H2,1H3,(H,31,36)",C29H58N2O8,,,,,,RTKPALKEXAMRNE-ATNKCMTKSA-N,,,,,,,,,,,
100.095.675,305-290-5,94405-94-4,Diethylammonium palmitate,N-ethylethanaminium palmitate,CCCCCCCCCCCCCCCC(=O)[O-].CC[NH2+]CC,CCCCCCCCCCCCCCCC(=O)[O-].CC[NH2+]CC,"InChI=1/C16H32O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-5-4-2/h2-15H2,1H3,(H,17,18);5H,3-4H2,1-2H3",C16H32O2.C4H11N,,,,,,VSZRCQZFSMQWCK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.676,305-291-0,94405-95-5,"N-(2,3-dihydro-3-oxo-1H-indazol-6-yl)-N2-(2-methylpropionyl)-N2-octadecyl-DL-asparagine","N~2~-isobutyryl-N~2~-octadecyl-N-(3-oxo-2,3-dihydro-1H-indazol-6-yl)-L-asparagine",CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1ccc2C(=O)NNc2c1)C(=O)O)C(=O)C(C)C,CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)Nc1ccc2C(=O)NNc2c1)C(=O)O)C(=O)C(C)C,"InChI=1/C33H54N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37(32(40)25(2)3)29(33(41)42)24-30(38)34-26-20-21-27-28(23-26)35-36-31(27)39/h20-21,23,25,29H,4-19,22,24H2,1-3H3,(H,34,38)(H,41,42)(H2,35,36,39)",C33H54N4O5,,,,,,POCYRCHYIYFFIA-LJAQVGFWSA-N,,,,,,,,,,,
100.094.483,303-979-5,94232-51-6,Praseodymium(3+) decanoate,praseodymium tridecanoate,[Pr+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],[Pr+3].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-],"InChI=1/3C10H20O2.Pr/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3",C10H20O2.1/3Pr,,,,,,QIIMTTHVHXCFFO-UHFFFAOYSA-K,,,,,,,,,,,
100.094.488,303-984-2,94232-56-1,Cerium(4+) sebacate,cerium(4+) didecanedioate,[Ce+4].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],[Ce+4].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-],"InChI=1/2C10H18O4.Ce/c2*11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h2*1-8H2,(H,11,12)(H,13,14);/q;;+4/p-4",C10H18O4.1/4Ce,,,,,,IVQODTXGRJDABG-UHFFFAOYSA-J,,,,,,,,,,,
100.094.491,303-987-9,94232-59-4,Cerium tetrabenzoate,-,[Ce+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3.[O-]C(=O)c4ccccc4,[Ce+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3.[O-]C(=O)c4ccccc4,"InChI=1/4C7H6O2.Ce/c4*8-7(9)6-4-2-1-3-5-6;/h4*1-5H,(H,8,9);/q;;;;+3/p-4",C7H6O2.1/4Ce,,,,,,PLEHRXHXLFJBKH-UHFFFAOYSA-J,,,,,,,,,,,
100.093.627,303-036-8,94139-21-6,Sucrose pentalaurate,"3,4-di-O-dodecanoyl-beta-D-fructofuranosyl 2,3,4-tri-O-dodecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCC,CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCC,"InChI=1/C72H132O16/c1-6-11-16-21-26-31-36-41-46-51-61(76)82-66-59(56-73)81-71(69(85-64(79)54-49-44-39-34-29-24-19-14-9-4)68(66)84-63(78)53-48-43-38-33-28-23-18-13-8-3)88-72(58-75)70(86-65(80)55-50-45-40-35-30-25-20-15-10-5)67(60(57-74)87-72)83-62(77)52-47-42-37-32-27-22-17-12-7-2/h59-60,66-71,73-75H,6-58H2,1-5H3",C72H132O16,,,,,,PIQIFOGXOVMODU-ICUSMKBQSA-N,,,,,,,,,,,
100.099.734,309-779-4,101012-80-0,"2,2'-dithiobis[5-(1,1-dimethylethyl)phenol]","2,2'-disulfanediylbis(5-tert-butylphenol)",CC(C)(C)c1ccc(SSc2ccc(cc2O)C(C)(C)C)c(O)c1,CC(C)(C)c1ccc(SSc2ccc(cc2O)C(C)(C)C)c(O)c1,"InChI=1/C20H26O2S2/c1-19(2,3)13-7-9-17(15(21)11-13)23-24-18-10-8-14(12-16(18)22)20(4,5)6/h7-12,21-22H,1-6H3",C20H26O2S2,,,,,,IIODSQVVTNEMIN-UHFFFAOYSA-N,,,,,,,,,,,
100.099.736,309-782-0,101012-82-2,Bis(2-oxo-2-phenylethyl) phthalate,bis(2-oxo-2-phenylethyl) phthalate,O=C(COC(=O)c1ccccc1C(=O)OCC(=O)c2ccccc2)c3ccccc3,O=C(COC(=O)c1ccccc1C(=O)OCC(=O)c2ccccc2)c3ccccc3,"InChI=1/C24H18O6/c25-21(17-9-3-1-4-10-17)15-29-23(27)19-13-7-8-14-20(19)24(28)30-16-22(26)18-11-5-2-6-12-18/h1-14H,15-16H2",C24H18O6,,,,,,NPANDGNGISFWCV-UHFFFAOYSA-N,,,,,,,,,,,
100.099.737,309-783-6,101012-83-3,"3-(1-vinylhexyl)dihydrofuran-2,5-dione","3-(1-vinylhexyl)dihydrofuran-2,5-dione",CCCCCC(C=C)C1CC(=O)OC1=O,CCCCCC(C=C)C1CC(=O)OC1=O,"InChI=1/C12H18O3/c1-3-5-6-7-9(4-2)10-8-11(13)15-12(10)14/h4,9-10H,2-3,5-8H2,1H3",C12H18O3,,,,,,RYNKSPIWLXKJHG-UHFFFAOYSA-N,,,,,,,,,,,
100.099.739,309-785-7,101012-85-5,Isobutyl (+)-2-(4-chloro-2-methylphenoxy)propionate,isobutyl 2-(4-chloro-2-methylphenoxy)propanoate,CC(C)COC(=O)C(C)Oc1ccc(Cl)cc1C,CC(C)COC(=O)C(C)Oc1ccc(Cl)cc1C,"InChI=1/C14H19ClO3/c1-9(2)8-17-14(16)11(4)18-13-6-5-12(15)7-10(13)3/h5-7,9,11H,8H2,1-4H3",C14H19ClO3,,,,,,RMPYJRQOSTUDNH-UHFFFAOYSA-N,,,,,,,,,,,
100.099.747,309-794-6,101012-93-5,"Octadecanoic acid, cadmium salt, basic",-,[Cd+2].CCCCCCCCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O2.Cd/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1",-,,,,,,VDSLROUKNYLMKU-UHFFFAOYSA-M,,,,,,,,,,,
100.099.749,309-796-7,101012-95-7,"Octadecanoic acid, 12-hydroxy-, barium salt, basic",-,[Ba+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O3.Ba/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+2/p-1",-,,,,,,DTGDCBISOWDSOO-UHFFFAOYSA-M,,,,,,,,,,,
100.095.029,304-578-8,94276-93-4,4-(benzoylamino)-5-chloro-2-methylbenzenediazonium tetrachlorozincate (2:1),bis[4-(benzoylamino)-5-chloro-2-methylbenzenediazonium] tetrachlorozincate(2-),Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+]#N.Cc3cc(NC(=O)c4ccccc4)c(Cl)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+]#N.Cc3cc(NC(=O)c4ccccc4)c(Cl)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C14H10ClN3O.4ClH.Zn/c2*1-9-7-13(11(15)8-12(9)18-16)17-14(19)10-5-3-2-4-6-10;;;;;/h2*2-8H,1H3;4*1H;/q;;;;;;+2/p-2/r2C14H10ClN3O.Cl4Zn/c2*1-9-7-13(11(15)8-12(9)18-16)17-14(19)10-5-3-2-4-6-10;1-5(2,3)4/h2*2-8H,1H3;/q;;-2/p+2",C14H11ClN3O.1/2Cl4Zn,,,,,,XFYAHHOQUQYNFU-UHFFFAOYSA-L,,,,,,,,,,,
100.095.035,304-585-6,94277-00-6,N-(4-methylphenyl)-9-octadecenamide,N-(4-methylphenyl)octadec-9-enamide,Cc1ccc(NC(=O)CCCCCCCC=CCCCCCCCC)cc1,Cc1ccc(NC(=O)CCCCCCCC=CCCCCCCCC)cc1,"InChI=1/C25H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)26-24-21-19-23(2)20-22-24/h10-11,19-22H,3-9,12-18H2,1-2H3,(H,26,27)",C25H41NO,,,,,,JSQIOYSODBIFTK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.036,304-586-1,94277-01-7,"N,N'-[(5,13-dihydro-5,13-dioxoaceanthryleno[2,1-a]aceanthrylene-6,14-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)","N,N'-{(5,13-dioxo-5,13-dihydroaceanthryleno[2,1-a]aceanthrylene-6,14-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-5,1-diyl)]}dibenzamide",O=C(Nc1cccc2C(=O)c3c(Nc4ccc5C6=C7c8ccccc8C(=O)c9c(Nc%10cccc%11C(=O)c%12c(NC(=O)c%13ccccc%13)cccc%12C(=O)c%10%11)ccc(C6=C%14c%15ccccc%15C(=O)c4c5%14)c79)cccc3C(=O)c12)c%16ccccc%16,O=C(Nc1cccc2C(=O)c3c(Nc4ccc5C6=C7c8ccccc8C(=O)c9c(Nc%10cccc%11C(=O)c%12c(NC(=O)c%13ccccc%13)cccc%12C(=O)c%10%11)ccc(C6=C%14c%15ccccc%15C(=O)c4c5%14)c79)cccc3C(=O)c12)c%16ccccc%16,"InChI=1/C72H38N4O8/c77-65-39-21-9-7-19-37(39)57-60-42-32-34-52(74-48-28-12-24-44-54(48)68(80)46-26-14-30-50(56(46)70(44)82)76-72(84)36-17-5-2-6-18-36)64-62(42)58(38-20-8-10-22-40(38)66(64)78)59(60)41-31-33-51(63(65)61(41)57)73-47-27-11-23-43-53(47)67(79)45-25-13-29-49(55(45)69(43)81)75-71(83)35-15-3-1-4-16-35/h1-34,73-74H,(H,75,83)(H,76,84)",C72H38N4O8,,,,,,KZTFBLPWSIOOKX-UHFFFAOYSA-N,,,,,,,,,,,
100.095.043,304-594-5,94277-08-4,Dihexadecenyl adipate,dihexadec-1-en-1-yl adipate,CCCCCCCCCCCCCCC=COC(=O)CCCCC(=O)OC=CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCC=COC(=O)CCCCC(=O)OC=CCCCCCCCCCCCCCC,"InChI=1/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-41-37(39)33-29-30-34-38(40)42-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30,33-34H2,1-2H3",C38H70O4,,,,,,ZUFSROZOUHYRBP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.071,303-525-6,94200-47-2,"Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl phosphate","diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl phosphate",[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C15H8F25O5P.2H3N/c16-4(17,1-3(41)2-45-46(42,43)44)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)40;;/h3,41H,1-2H2,(H2,42,43,44);2*1H3",C15H8F25O5P.2H3N,,,,,,OMQPAVWTJXZJQO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.080,303-535-0,94200-56-3,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl dihydrogen phosphate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl dihydrogen phosphate",OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C13H6F23O4P/c14-3(15,1-2-40-41(37,38)39)5(17,18)7(21,22)9(25,26)11(29,30)10(27,28)8(23,24)6(19,20)4(16,12(31,32)33)13(34,35)36/h1-2H2,(H2,37,38,39)",C13H6F23O4P,,,,,,XVPQHRLANPJWIF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.083,303-538-7,94200-60-9,"Bis(cyclohexylammonium) (R)-3,3-diethoxy-2-hydroxypropyl phosphate","dicyclohexanaminium 3,3-diethoxy-2-hydroxypropyl phosphate",CCOC(OCC)[C@H](O)COP(=O)([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C2CCCCC2,CCOC(OCC)[C@H](O)COP(=O)([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C2CCCCC2,"InChI=1/C7H17O7P.2C6H13N/c1-3-12-7(13-4-2)6(8)5-14-15(9,10)11;2*7-6-4-2-1-3-5-6/h6-8H,3-5H2,1-2H3,(H2,9,10,11);2*6H,1-5,7H2",C7H17O7P.2C6H13N,,,,,,XCBQRAPVTHQOKV-QYCVXMPOSA-N,,,,,,,,,,,
100.094.088,303-543-4,94200-65-4,2-tetradecyloctadecyl palmitate,2-tetradecyloctadecyl palmitate,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C48H96O2/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47(43-40-37-34-31-28-24-21-18-15-12-9-6-3)46-50-48(49)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3",C48H96O2,,,,,,IGYMBVVZPQHQLQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.097,303-553-9,94200-74-5,Sodium 2-butyloctyl sulphate,sodium 2-butyloctyl sulfate,[Na+].CCCCCCC(CCCC)COS(=O)(=O)[O-],[Na+].CCCCCCC(CCCC)COS(=O)(=O)[O-],"InChI=1/C12H26O4S.Na/c1-3-5-7-8-10-12(9-6-4-2)11-16-17(13,14)15;/h12H,3-11H2,1-2H3,(H,13,14,15);/q;+1/p-1",C12H26O4S.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12206,https://echa.europa.eu/substance-information/-/substanceinfo/100.094.097,QHVJMQSXCDOHMT-UHFFFAOYSA-M,,,,,,,,,,,
100.094.099,303-556-5,94200-76-7,"Naphthalene-2-sulphonic acid, compound with 2,2'-iminodiethanol (1:1)","naphthalene-2-sulfonic acid - 2,2'-iminodiethanol (1:1)",OCCNCCO.OS(=O)(=O)c1ccc2ccccc2c1,OCCNCCO.OS(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H8O3S.C4H11NO2/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;6-3-1-5-2-4-7/h1-7H,(H,11,12,13);5-7H,1-4H2",C10H8O3S.C4H11NO2,,,,,,MUYVPEZNWONMAN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.646,303-057-2,94157-89-8,N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(phenylmethyl)allylamino]phenyl]acetamide,N-{5-[allyl(benzyl)amino]-2-[(2-chloro-4-nitrophenyl)diazenyl]phenyl}acetamide,Clc3cc(ccc3N=Nc1ccc(cc1NC(C)=O)N(CC=C)Cc2ccccc2)[N+]([O-])=O,Clc3cc(ccc3N=Nc1ccc(cc1NC(C)=O)N(CC=C)Cc2ccccc2)[N+]([O-])=O,"InChI=1/C24H22ClN5O3/c1-3-13-29(16-18-7-5-4-6-8-18)19-9-12-23(24(15-19)26-17(2)31)28-27-22-11-10-20(30(32)33)14-21(22)25/h3-12,14-15H,1,13,16H2,2H3,(H,26,31)",C24H22ClN5O3,,,,,,JJYPRBNBVAHUKA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.649,303-060-9,94157-92-3,"N-[[[2,5-dimethyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]-2,6-difluorobenzamide","N-({2,5-dimethyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}carbamoyl)-2,6-difluorobenzamide",Cc1cc(c(C)cc1NC(=O)NC(=O)c2c(F)cccc2F)C(O)(C(F)(F)F)C(F)(F)F,Cc1cc(c(C)cc1NC(=O)NC(=O)c2c(F)cccc2F)C(O)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H14F8N2O3/c1-8-7-13(9(2)6-10(8)17(32,18(22,23)24)19(25,26)27)28-16(31)29-15(30)14-11(20)4-3-5-12(14)21/h3-7,32H,1-2H3,(H2,28,29,30,31)",C19H14F8N2O3,,,,,,SJBKMIIWYQKNKW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.652,303-064-0,94157-95-6,1-acetyl-2-(2-chloroethyl)pyrrolidine,1-acetyl-2-(2-chloroethyl)pyrrolidine,CC(=O)N1CCCC1CCCl,CC(=O)N1CCCC1CCCl,"InChI=1/C8H14ClNO/c1-7(11)10-6-2-3-8(10)4-5-9/h8H,2-6H2,1H3",C8H14ClNO,,,,,,WLNNEGUFXLRIMD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.656,303-068-2,94157-99-0,"5-oxo-L-proline, compound with DL-arginine (1:1)",5-oxo-L-proline - L-arginine (1:1),N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1,"InChI=1/C6H14N4O2.C5H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H2,(H,6,7)(H,8,9)",C6H14N4O2.C5H7NO3,,,,,,UYCAGRPOUWSBIQ-WOYAITHZSA-N,,,,,,,,,,,
100.093.662,303-075-0,94158-05-1,"Tetrahydro-2H-thiopyran-3-ol 1,1-dioxide","tetrahydro-2H-thiopyran-3-ol 1,1-dioxide",OC1CCCS(=O)(=O)C1,OC1CCCS(=O)(=O)C1,"InChI=1/C5H10O3S/c6-5-2-1-3-9(7,8)4-5/h5-6H,1-4H2",C5H10O3S,,,,,,FOAYCGLGUDLVFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.671,303-085-5,94158-14-2,"2-(1,3-benzodioxol-5-ylamino)ethanol hydrochloride","2-(1,3-benzodioxol-5-ylamino)ethanol hydrochloride",Cl.OCCNc1ccc2OCOc2c1,Cl.OCCNc1ccc2OCOc2c1,"InChI=1/C9H11NO3.ClH/c11-4-3-10-7-1-2-8-9(5-7)13-6-12-8;/h1-2,5,10-11H,3-4,6H2;1H",C9H11NO3.ClH,,,,,,LMONVTDNVNEAQG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.672,303-086-0,94158-15-3,"Strontium 6-diazo-3-hydroxy-2,4-dinitrocyclohexa-2,4-dienolate","strontium bis(6-diazo-3-hydroxy-2,4-dinitrocyclohexa-2,4-dien-1-olate)",[Sr+2].OC1=C(C([O-])C(=[N+]=[N-])C=C1[N+](=O)[O-])[N+](=O)[O-].OC2=C(C([O-])C(=[N+]=[N-])C=C2[N+](=O)[O-])[N+](=O)[O-],[Sr+2].OC1=C(C([O-])C(=[N+]=[N-])C=C1[N+](=O)[O-])[N+](=O)[O-].OC2=C(C([O-])C(=[N+]=[N-])C=C2[N+](=O)[O-])[N+](=O)[O-],"InChI=1/2C6H3N4O6.Sr/c2*7-8-2-1-3(9(13)14)6(12)4(5(2)11)10(15)16;/h2*1,5,12H;/q2*-1;+2",C6H2N4O6.1/2Sr,,,,,,VUVNVCNNRMBYGT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.674,303-088-1,94158-17-5,"[2-[3-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-1-propenyl]phenoxy]acetic acid","{2-[3-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)prop-1-en-1-yl]phenoxy}acetic acid",OC(=O)COc3ccccc3C=CC=C2C(\\C)=N/N(c1ccccc1)C2=O,OC(=O)COc3ccccc3C=CC=C2C(\C)=N/N(c1ccccc1)C2=O,"InChI=1/C21H18N2O4/c1-15-18(21(26)23(22-15)17-10-3-2-4-11-17)12-7-9-16-8-5-6-13-19(16)27-14-20(24)25/h2-13H,14H2,1H3,(H,24,25)",C21H18N2O4,,,,,,CPDCFQUIJBFGEV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.675,303-089-7,94158-18-6,Disodium 6-[[4-hydroxy-3-[[[2-(methyloctadecylamino)-5-sulphonatophenyl]amino]carbonyl]-1-naphthyl]azo]naphthalene-2-sulphonate,disodium 6-{[4-hydroxy-3-({2-[methyl(octadecyl)amino]-5-sulfonatophenyl}carbamoyl)-1-naphthyl]diazenyl}naphthalene-2-sulfonate,[Na+].[Na+].[O-]S(=O)(=O)c5cc(NC(=O)c4cc(N=Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)c3ccccc3c4O)c(cc5)N(C)CCCCCCCCCCCCCCCCCC,[Na+].[Na+].[O-]S(=O)(=O)c5cc(NC(=O)c4cc(N=Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)c3ccccc3c4O)c(cc5)N(C)CCCCCCCCCCCCCCCCCC,"InChI=1/C46H58N4O8S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-50(2)44-28-27-38(60(56,57)58)32-43(44)47-46(52)41-33-42(39-21-18-19-22-40(39)45(41)51)49-48-36-25-23-35-31-37(59(53,54)55)26-24-34(35)30-36;;/h18-19,21-28,30-33,51H,3-17,20,29H2,1-2H3,(H,47,52)(H,53,54,55)(H,56,57,58);;/q;2*+1/p-2",C46H58N4O8S2.2Na,,,,,,VBGNPIRZRPOVDO-UHFFFAOYSA-L,,,,,,,,,,,
100.093.687,303-102-6,94158-31-3,"Bisisopropyl 2-thioxo-1H-benzimidazole-1,3(2H)-dicarboxylate","diisopropyl 2-thioxo-1H-benzimidazole-1,3(2H)-dicarboxylate",CC(C)OC(=O)N1C(=S)N(C(=O)OC(C)C)c2ccccc12,CC(C)OC(=O)N1C(=S)N(C(=O)OC(C)C)c2ccccc12,"InChI=1/C15H18N2O4S/c1-9(2)20-14(18)16-11-7-5-6-8-12(11)17(13(16)22)15(19)21-10(3)4/h5-10H,1-4H3",C15H18N2O4S,,,,,,AZJYAGGEGMHNBK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.691,303-106-8,94158-36-8,"4-(1,1-dimethylethyl)-2-[[4-(1,1-dimethylethyl)-2-hydroxyphenyl]dithio]phenol",4-tert-butyl-2-[(4-tert-butyl-2-hydroxyphenyl)disulfanyl]phenol,CC(C)(C)c1ccc(SSc2cc(ccc2O)C(C)(C)C)c(O)c1,CC(C)(C)c1ccc(SSc2cc(ccc2O)C(C)(C)C)c(O)c1,"InChI=1/C20H26O2S2/c1-19(2,3)13-8-10-17(16(22)11-13)23-24-18-12-14(20(4,5)6)7-9-15(18)21/h7-12,21-22H,1-6H3",C20H26O2S2,,,,,,GTGSWTJNEBSPOT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.693,303-108-9,94158-38-0,Di-sec-butylammonium hydrogen sulphate,N-sec-butylbutan-2-aminium hydrogen sulfate,CCC(C)[NH2+]C(C)CC.[O-]S(=O)(=O)[O-],CCC(C)[NH2+]C(C)CC.[O-]S(=O)(=O)[O-],"InChI=1/C8H19N.H2O4S/c1-5-7(3)9-8(4)6-2;1-5(2,3)4/h7-9H,5-6H2,1-4H3;(H2,1,2,3,4)/p-1",C8H19N.H2O4S,,,,,,MAAGHPOMZBPTDF-UHFFFAOYSA-M,,,,,,,,,,,
100.094.100,303-557-0,94200-77-8,"Naphthalene-2-sulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","naphthalene-2-sulfonic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OS(=O)(=O)c1ccc2ccccc2c1,OCCN(CCO)CCO.OS(=O)(=O)c1ccc2ccccc2c1,"InChI=1/C10H8O3S.C6H15NO3/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;8-4-1-7(2-5-9)3-6-10/h1-7H,(H,11,12,13);8-10H,1-6H2",C10H8O3S.C6H15NO3,,,,,,MRUHFBIEKCCBOS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.102,303-559-1,94200-79-0,N-[2-(diethylamino)-5-[(octadecylamino)sulphonyl]phenyl]-1-hydroxynaphthalene-2-carboxamide,N-[2-(diethylamino)-5-(octadecylsulfamoyl)phenyl]-1-hydroxy-2-naphthamide,CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N(CC)CC)c(NC(=O)c2ccc3ccccc3c2O)c1,CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N(CC)CC)c(NC(=O)c2ccc3ccccc3c2O)c1,"InChI=1/C39H59N3O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-40-47(45,46)33-27-29-37(42(5-2)6-3)36(31-33)41-39(44)35-28-26-32-24-21-22-25-34(32)38(35)43/h21-22,24-29,31,40,43H,4-20,23,30H2,1-3H3,(H,41,44)",C39H59N3O4S,,,,,,NAGPEELNXLWGNH-UHFFFAOYSA-N,,,,,,,,,,,
100.095.065,304-617-9,94277-34-6,2-hexadecylicosyl palmitate,2-hexadecylicosyl palmitate,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,"InChI=1/C52H104O2/c1-4-7-10-13-16-19-22-25-27-28-31-33-36-39-42-45-48-51(47-44-41-38-35-32-30-26-23-20-17-14-11-8-5-2)50-54-52(53)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3/h51H,4-50H2,1-3H3",C52H104O2,,,,,,JXMSNIOBGKWYQZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.067,304-620-5,94277-36-8,Ethyltris(2-ethylhexyl)ammonium bromide,"N,2-diethyl-N,N-bis(2-ethylhexyl)hexan-1-aminium bromide",[Br-].CCCCC(CC)C[N+](CC)(CC(CC)CCCC)CC(CC)CCCC,[Br-].CCCCC(CC)C[N+](CC)(CC(CC)CCCC)CC(CC)CCCC,"InChI=1/C26H56N.BrH/c1-8-15-18-24(11-4)21-27(14-7,22-25(12-5)19-16-9-2)23-26(13-6)20-17-10-3;/h24-26H,8-23H2,1-7H3;1H/q+1;/p-1",C26H56N.Br,,,,,,APBJLZJVSUMUNT-UHFFFAOYSA-M,,,,,,,,,,,
100.095.074,304-627-3,94277-44-8,(2-ethylhexyl)dimethyloctylammonium chloride,"N-(2-ethylhexyl)-N,N-dimethyloctan-1-aminium chloride",[Cl-].CCCCCCCC[N+](C)(C)CC(CC)CCCC,[Cl-].CCCCCCCC[N+](C)(C)CC(CC)CCCC,"InChI=1/C18H40N.ClH/c1-6-9-11-12-13-14-16-19(4,5)17-18(8-3)15-10-7-2;/h18H,6-17H2,1-5H3;1H/q+1;/p-1",C18H40N.Cl,,,,,,MZJWYVVDXDOBNN-UHFFFAOYSA-M,,,,,,,,,,,
100.095.077,304-631-5,94277-47-1,Ethyltris(2-ethylhexyl)ammonium chloride,"N,2-diethyl-N,N-bis(2-ethylhexyl)hexan-1-aminium chloride",[Cl-].CCCCC(CC)C[N+](CC)(CC(CC)CCCC)CC(CC)CCCC,[Cl-].CCCCC(CC)C[N+](CC)(CC(CC)CCCC)CC(CC)CCCC,"InChI=1/C26H56N.ClH/c1-8-15-18-24(11-4)21-27(14-7,22-25(12-5)19-16-9-2)23-26(13-6)20-17-10-3;/h24-26H,8-23H2,1-7H3;1H/q+1;/p-1",C26H56N.Cl,,,,,,RHARHBAQMRERTL-UHFFFAOYSA-M,,,,,,,,,,,
100.094.112,303-570-1,94200-90-5,Sodium 6-amino-4-hydroxy-5-[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-6-methoxy-m-tolyl]azo]naphthalene-2-sulphonate,sodium 6-amino-4-hydroxy-5-{[4-({4-[(4-hydroxyphenyl)diazenyl]phenyl}diazenyl)-2-methoxy-5-methylphenyl]diazenyl}naphthalene-2-sulfonate,[Na+].COc5cc(N=Nc2ccc(N=Nc1ccc(O)cc1)cc2)c(C)cc5N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O,[Na+].COc5cc(N=Nc2ccc(N=Nc1ccc(O)cc1)cc2)c(C)cc5N=Nc3c4c(O)cc(cc4ccc3N)S([O-])(=O)=O,"InChI=1/C30H25N7O6S.Na/c1-17-13-26(36-37-30-24(31)12-3-18-14-23(44(40,41)42)15-27(39)29(18)30)28(43-2)16-25(17)35-34-20-6-4-19(5-7-20)32-33-21-8-10-22(38)11-9-21;/h3-16,38-39H,31H2,1-2H3,(H,40,41,42);/q;+1/p-1",C30H25N7O6S.Na,,,,,,PEZUHEXRAWTQDY-UHFFFAOYSA-M,,,,,,,,,,,
100.094.116,303-574-3,94200-94-9,"8-(1,1-dimethylpropyl)-3-methyl-1-oxaspiro[4.5]decane","8-(1,1-dimethylpropyl)-3-methyl-1-oxaspiro[4.5]decane",CCC(C)(C)C1CCC2(CC1)CC(C)CO2,CCC(C)(C)C1CCC2(CC1)CC(C)CO2,"InChI=1/C15H28O/c1-5-14(3,4)13-6-8-15(9-7-13)10-12(2)11-16-15/h12-13H,5-11H2,1-4H3",C15H28O,,,,,,WJEJFRYVWSCUOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.122,303-581-1,94201-00-0,1-ethyl-2-methyl-3-(1-oxopropoxy)propyl butyrate,1-ethyl-2-methyl-3-(propionyloxy)propyl butyrate,CCCC(=O)OC(CC)C(C)COC(=O)CC,CCCC(=O)OC(CC)C(C)COC(=O)CC,"InChI=1/C13H24O4/c1-5-8-13(15)17-11(6-2)10(4)9-16-12(14)7-3/h10-11H,5-9H2,1-4H3",C13H24O4,,,,,,FWDZBBIKQATTEH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.123,303-582-7,94201-01-1,4-methyl-1-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)pent-3-enyl acetate,4-methyl-1-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)pent-3-en-1-yl acetate,CC1C2CC(C=C2)C1C(CC=C(C)C)OC(=O)C,CC1C2CC(C=C2)C1C(CC=C(C)C)OC(=O)C,"InChI=1/C16H24O2/c1-10(2)5-8-15(18-12(4)17)16-11(3)13-6-7-14(16)9-13/h5-7,11,13-16H,8-9H2,1-4H3",C16H24O2,,,,,,HMDYEXXZOIBMTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.254,303-726-9,94213-24-8,"(E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine","2-[cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide",NC(=N)N\\N=C(\\C#N)/c1cccc(Cl)c1Cl,NC(=N)N\N=C(\C#N)/c1cccc(Cl)c1Cl,"InChI=1/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)",C9H7Cl2N5,,,,,,BXDSJOGMJUKSAE-CHHVJCJISA-N,,,,,,,,,,,
100.094.262,303-735-8,94213-32-8,"2-[(3-amino-2-methylphenyl)methyl]benzene-1,3-diamine","2-(3-amino-2-methylbenzyl)benzene-1,3-diamine",Cc1c(N)cccc1Cc2c(N)cccc2N,Cc1c(N)cccc1Cc2c(N)cccc2N,"InChI=1/C14H17N3/c1-9-10(4-2-5-12(9)15)8-11-13(16)6-3-7-14(11)17/h2-7H,8,15-17H2,1H3",C14H17N3,,,,,,OBXZVJNVWWTSSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.695,303-111-5,94158-40-4,2-ethylhexyl 2-hydroxyethyl 2-butenedioate,2-ethylhexyl 2-hydroxyethyl but-2-enedioate,O=C(C=CC(=O)OCC(CC)CCCC)OCCO,O=C(C=CC(=O)OCC(CC)CCCC)OCCO,"InChI=1/C14H24O5/c1-3-5-6-12(4-2)11-19-14(17)8-7-13(16)18-10-9-15/h7-8,12,15H,3-6,9-11H2,1-2H3",C14H24O5,,,,,,BORBMWSINGMSEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.699,303-115-7,94158-44-8,"1,1-dimethoxy-2-(2-methoxyethoxy)ethane","1,1-dimethoxy-2-(2-methoxyethoxy)ethane",COCCOCC(OC)OC,COCCOCC(OC)OC,"InChI=1/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3",C7H16O4,,,,,,JPOUJDLGAPEXAN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.701,303-117-8,94158-46-0,3-(triethoxysilyl)propyl cyanate,3-(triethoxysilyl)propyl cyanate,CCO[Si](CCCOC#N)(OCC)OCC,CCO[Si](CCCOC#N)(OCC)OCC,"InChI=1/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-12-10-11/h4-9H2,1-3H3",C10H21NO4Si,,,,,,RHZAAYVDJRHENK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.703,303-119-9,94158-48-2,"a,a-bis[4-(diethylamino)phenyl]-4-[(4-ethoxyphenyl)amino]naphthalene-1-methanol",bis[4-(diethylamino)phenyl]{4-[(4-ethoxyphenyl)amino]-1-naphthyl}methanol,CCOc1ccc(Nc2ccc(c3ccccc23)C(O)(c4ccc(cc4)N(CC)CC)c5ccc(cc5)N(CC)CC)cc1,CCOc1ccc(Nc2ccc(c3ccccc23)C(O)(c4ccc(cc4)N(CC)CC)c5ccc(cc5)N(CC)CC)cc1,"InChI=1/C39H45N3O2/c1-6-41(7-2)32-21-15-29(16-22-32)39(43,30-17-23-33(24-18-30)42(8-3)9-4)37-27-28-38(36-14-12-11-13-35(36)37)40-31-19-25-34(26-20-31)44-10-5/h11-28,40,43H,6-10H2,1-5H3",C39H45N3O2,,,,,,ZINZGONCUCSXAE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.705,303-122-5,94158-50-6,1-[5-[[[(4-chlorophenyl)amino]carbonyl]amino]-o-tolyl]-3-(p-tolyl)urea,1-(4-chlorophenyl)-3-(4-methyl-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)urea (non-preferred name),Cc1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2C)cc1,Cc1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2C)cc1,"InChI=1/C22H21ClN4O2/c1-14-3-8-17(9-4-14)25-22(29)27-20-13-19(10-5-15(20)2)26-21(28)24-18-11-6-16(23)7-12-18/h3-13H,1-2H3,(H2,24,26,28)(H2,25,27,29)",C22H21ClN4O2,,,,,,LTYXXRYNGCCBLH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.710,303-127-2,94158-55-1,"1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)propan-1-one hydrochloride","1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)propan-1-one hydrochloride",Cl.CC(C(=O)c1ccc(Cl)cc1Cl)n2ccnc2,Cl.CC(C(=O)c1ccc(Cl)cc1Cl)n2ccnc2,"InChI=1/C12H10Cl2N2O.ClH/c1-8(16-5-4-15-7-16)12(17)10-3-2-9(13)6-11(10)14;/h2-8H,1H3;1H",C12H10Cl2N2O.ClH,,,,,,WYQBWHKVARJNDJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.711,303-128-8,94158-56-2,4-hydroxy-5-methoxyimidazolidin-2-one,4-hydroxy-5-methoxyimidazolidin-2-one,COC1NC(=O)NC1O,COC1NC(=O)NC1O,"InChI=1/C4H8N2O3/c1-9-3-2(7)5-4(8)6-3/h2-3,7H,1H3,(H2,5,6,8)",C4H8N2O3,,,,,,FIGXZOBRWFEACW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.717,303-135-6,94158-63-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl acrylate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl acrylate",FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C,"InChI=1/C22H7F35O2/c1-2-5(58)59-4-3-6(23,24)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)18(46,47)20(50,51)19(48,49)17(44,45)15(40,41)13(36,37)11(32,33)9(28,29)7(25,21(52,53)54)22(55,56)57/h2H,1,3-4H2",C22H7F35O2,,,,,,QOFPQLOFSZXYPY-UHFFFAOYSA-N,,,,,,,,,,,
100.093.727,303-146-6,94158-73-3,"Cinnamic acid, compound with quinolin-8-ol (1:1)",3-phenylacrylic acid - quinolin-8-ol (1:1),OC(=O)\\C=C\\c1ccccc1.Oc2cccc3cccnc23,OC(=O)\C=C\c1ccccc1.Oc2cccc3cccnc23,"InChI=1/C9H7NO.C9H8O2/c11-8-5-1-3-7-4-2-6-10-9(7)8;10-9(11)7-6-8-4-2-1-3-5-8/h1-6,11H;1-7H,(H,10,11)",C9H8O2.C9H7NO,,,,,,JSOINFWKOHUFBG-UETGHTDLSA-N,,,,,,,,,,,
100.093.729,303-148-7,94158-75-5,"Diammonium 4,4'-(ethylenediimino)bis[4-oxobutyrate]","diammonium 4,4'-(ethane-1,2-diyldiimino)bis(4-oxobutanoate)",[NH4+].[NH4+].[O-]C(=O)CCC(=O)NCCNC(=O)CCC(=O)[O-],[NH4+].[NH4+].[O-]C(=O)CCC(=O)NCCNC(=O)CCC(=O)[O-],"InChI=1/C10H16N2O6.2H3N/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18;;/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*1H3",C10H16N2O6.2H3N,,,,,,UOGRUYUDAUFIAE-UHFFFAOYSA-N,,,,,,,,,,,
100.093.735,303-155-5,94158-81-3,"1,4-diamino-2,3,5-trichloro-8-hydroxyanthraquinone","1,4-diamino-2,3,5-trichloro-8-hydroxy-9,10-anthraquinone",Nc1c(Cl)c(Cl)c(N)c2C(=O)c3c(Cl)ccc(O)c3C(=O)c12,Nc1c(Cl)c(Cl)c(N)c2C(=O)c3c(Cl)ccc(O)c3C(=O)c12,"InChI=1/C14H7Cl3N2O3/c15-3-1-2-4(20)6-5(3)13(21)7-8(14(6)22)12(19)10(17)9(16)11(7)18/h1-2,20H,18-19H2",C14H7Cl3N2O3,,,,,,ZXMUCTGIHDSPBT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.747,303-168-6,94158-94-8,2-methyldecyl methacrylate,2-methyldecyl methacrylate,CCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C15H28O2/c1-5-6-7-8-9-10-11-14(4)12-17-15(16)13(2)3/h14H,2,5-12H2,1,3-4H3",C15H28O2,,,,,,MDVCZOLFOLUIGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.513,302-911-1,94135-41-8,p-(octadecyl)toluene,1-methyl-4-octadecylbenzene,CCCCCCCCCCCCCCCCCCc1ccc(C)cc1,CCCCCCCCCCCCCCCCCCc1ccc(C)cc1,"InChI=1/C25H44/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22-20-24(2)21-23-25/h20-23H,3-19H2,1-2H3",C25H44,,,,,,GZOSYOSHWZZRQK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.263,303-736-3,94213-33-9,"4-[(5-amino-2-methylphenyl)methyl]benzene-1,3-diamine","4-(5-amino-2-methylbenzyl)benzene-1,3-diamine",Cc1ccc(N)cc1Cc2ccc(N)cc2N,Cc1ccc(N)cc1Cc2ccc(N)cc2N,"InChI=1/C14H17N3/c1-9-2-4-12(15)7-11(9)6-10-3-5-13(16)8-14(10)17/h2-5,7-8H,6,15-17H2,1H3",C14H17N3,,,,,,ZZCDIYKHQYWFKV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.267,303-741-0,94213-37-3,2-[(3-isocyanato-4-methylphenyl)methyl]-m-phenylene diisocyanate,"1,3-diisocyanato-2-(3-isocyanato-4-methylbenzyl)benzene",Cc1ccc(cc1\\N=C=O)Cc2c(cccc2/N=C=O)\\N=C=O,Cc1ccc(cc1\N=C=O)Cc2c(cccc2/N=C=O)\N=C=O,"InChI=1/C17H11N3O3/c1-12-5-6-13(8-17(12)20-11-23)7-14-15(18-9-21)3-2-4-16(14)19-10-22/h2-6,8H,7H2,1H3",C17H11N3O3,,,,,,PJXWOMTVMBIZAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.268,303-742-6,94213-38-4,2-[(3-isocyanato-2-methylphenyl)methyl]-m-phenylene diisocyanate,"1-(2,6-diisocyanatobenzyl)-3-isocyanato-2-methylbenzene",Cc2c(cccc2Cc1c(\\N=C=O)cccc1/N=C=O)\\N=C=O,Cc2c(cccc2Cc1c(\N=C=O)cccc1/N=C=O)\N=C=O,"InChI=1/C17H11N3O3/c1-12-13(4-2-5-15(12)18-9-21)8-14-16(19-10-22)6-3-7-17(14)20-11-23/h2-7H,8H2,1H3",C17H11N3O3,,,,,,UXSDGXOKNGHNEL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.271,303-745-2,94213-41-9,"4-[(3-isocyanato-o-tolyl)methyl]-1,3-phenylene diisocyanate","1-(2,4-diisocyanatobenzyl)-3-isocyanato-2-methylbenzene",Cc1c(Cc2ccc(cc2N=C=O)N=C=O)cccc1N=C=O,Cc1c(Cc2ccc(cc2N=C=O)N=C=O)cccc1N=C=O,"InChI=1/C17H11N3O3/c1-12-13(3-2-4-16(12)19-10-22)7-14-5-6-15(18-9-21)8-17(14)20-11-23/h2-6,8H,7H2,1H3",C17H11N3O3,,,,,,TXWSTJWCMLPFOD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.879,304-414-5,94266-07-6,"Bis(tert-butyl) 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate","di-tert-butyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate",CCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C,CCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C,"InChI=1/C20H33NO4/c1-10-11-14-15(17(22)24-19(4,5)6)12(2)21-13(3)16(14)18(23)25-20(7,8)9/h14,21H,10-11H2,1-9H3",C20H33NO4,,,,,,XGZQMGKQSIMQSW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.880,304-415-0,94266-08-7,"Bis(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate","di-tert-butyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C,CCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C,"InChI=1/C19H31NO4/c1-10-13-14(16(21)23-18(4,5)6)11(2)20-12(3)15(13)17(22)24-19(7,8)9/h13,20H,10H2,1-9H3",C19H31NO4,,,,,,ALNNWLSGANVQOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.095,304-650-9,94277-65-3,Aluminium lithium tetrahydroxide,aluminium lithium tetrahydroxide,[Li+].[OH-].[OH-].[OH-].[OH-].[Al+3],[Li+].[OH-].[OH-].[OH-].[OH-].[Al+3],InChI=1/Al.Li.4H2O/h;;4*1H2/q+3;+1;;;;/p-4,AlH4O4.Li,,,,,,VMWZRHGIAVCFNS-UHFFFAOYSA-J,,,,,,,,,,,
100.095.110,304-667-1,94277-83-5,"2,4-diethyloctane-1,5-diol","2,4-diethyloctane-1,5-diol",CCCC(O)C(CC)CC(CC)CO,CCCC(O)C(CC)CC(CC)CO,"InChI=1/C12H26O2/c1-4-7-12(14)11(6-3)8-10(5-2)9-13/h10-14H,4-9H2,1-3H3",C12H26O2,,,,,,QDKYZXPQXKTGRB-UHFFFAOYSA-N,,,,,,,,,,,
100.095.113,304-670-8,94277-86-8,"Pentyl 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]benzoate","pentyl 3,4,5-tris{[(6-diazo-5-oxo-5,6-dihydronaphthalen-1-yl)sulfonyl]oxy}benzoate",CCCCCOC(=O)c1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c(OS(=O)(=O)c6cccc7C(=O)C(=[N+]=[N-])C=Cc67)c1,CCCCCOC(=O)c1cc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c(OS(=O)(=O)c6cccc7C(=O)C(=[N+]=[N-])C=Cc67)c1,"InChI=1/C42H28N6O14S3/c1-2-3-4-20-59-42(52)23-21-33(60-63(53,54)35-11-5-8-27-24(35)14-17-30(46-43)38(27)49)41(62-65(57,58)37-13-7-10-29-26(37)16-19-32(48-45)40(29)51)34(22-23)61-64(55,56)36-12-6-9-28-25(36)15-18-31(47-44)39(28)50/h5-19,21-22H,2-4,20H2,1H3",C42H28N6O14S3,,,,,,NSQSUVGLFLIZAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.114,304-671-3,94277-87-9,"5,6-dihydroxybicyclo[2.2.1]heptane-2-carbaldehyde","5,6-dihydroxybicyclo[2.2.1]heptane-2-carbaldehyde",OC1C2CC(C=O)C(C2)C1O,OC1C2CC(C=O)C(C2)C1O,"InChI=1/C8H12O3/c9-3-5-1-4-2-6(5)8(11)7(4)10/h3-8,10-11H,1-2H2",C8H12O3,,,,,,UKQOUUKJEQXAPP-UHFFFAOYSA-N,,,,,,,,,,,
100.095.117,304-675-5,94277-90-4,"6-dodecyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane","6-dodecyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane",CCCCCCCCCCCC[Si](OCCOC)(OCCOC)OCCOC,CCCCCCCCCCCC[Si](OCCOC)(OCCOC)OCCOC,"InChI=1/C21H46O6Si/c1-5-6-7-8-9-10-11-12-13-14-21-28(25-18-15-22-2,26-19-16-23-3)27-20-17-24-4/h5-21H2,1-4H3",C21H46O6Si,,,,,,OYKRJAFWJPSUCH-UHFFFAOYSA-N,,,,,,,,,,,
100.095.119,304-677-6,94277-92-6,3-[tris(hexyloxy)silyl]propylamine,3-[tris(hexyloxy)silyl]propan-1-amine,CCCCCCO[Si](CCCN)(OCCCCCC)OCCCCCC,CCCCCCO[Si](CCCN)(OCCCCCC)OCCCCCC,"InChI=1/C21H47NO3Si/c1-4-7-10-13-18-23-26(21-16-17-22,24-19-14-11-8-5-2)25-20-15-12-9-6-3/h4-22H2,1-3H3",C21H47NO3Si,,,,,,AHGOFHPILSLAMS-UHFFFAOYSA-N,,,,,,,,,,,
100.095.122,304-680-2,94277-95-9,Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate,tetrapotassium [(heptylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.4K/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;;;/q;4*+1/p-4",C9H23NO6P2.4K,,,,,,HBXALUHSXSGYDT-UHFFFAOYSA-J,,,,,,,,,,,
100.096.630,306-344-0,97158-15-1,Calcium hexachlorosilicate(2-),calcium hexachlorosilicate(2-),[Ca+2].Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl,[Ca+2].Cl[Si-2](Cl)(Cl)(Cl)(Cl)Cl,"InChI=1/Ca.Cl6Si/c;1-7(2,3,4,5)6/q+2;-2",Ca.Cl6Si,,,,,,LKPIRQUUEXAWKG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.517,302-915-3,94135-46-3,"Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate","butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate",C\\C1=C\\CCC(C)(C)C1C=C(C)C(C)(O)CC(=O)OCCCC,C\C1=C\CCC(C)(C)C1C=C(C)C(C)(O)CC(=O)OCCCC,"InChI=1/C20H34O3/c1-7-8-12-23-18(21)14-20(6,22)16(3)13-17-15(2)10-9-11-19(17,4)5/h10,13,17,22H,7-9,11-12,14H2,1-6H3",C20H34O3,,,,,,ICPXGSJJLTZHKN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.518,302-916-9,94135-47-4,"Ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate","ethyl 2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylacetate",CCOC(=O)CC1NCCc2c1[nH]c3ccccc23,CCOC(=O)CC1NCCc2c1[nH]c3ccccc23,"InChI=1/C15H18N2O2/c1-2-19-14(18)9-13-15-11(7-8-16-13)10-5-3-4-6-12(10)17-15/h3-6,13,16-17H,2,7-9H2,1H3",C15H18N2O2,,,,,,YXFXKGBICGUOJR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.553,302-955-1,94135-84-9,"Tetrasodium 4-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,5-dimethylphenyl]azo]-6-sulphonato-1-naphthyl]azo]naphthalene-1,3,6-trisulphonate","tetrasodium 4-{[4-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,5-dimethylphenyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}naphthalene-1,3,6-trisulfonate",[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5cc(C)c(N=Nc4ccc(N=Nc2c1cc(ccc1c(cc2S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc34)S([O-])(=O)=O)cc5C)nc(Cl)n6,[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5cc(C)c(N=Nc4ccc(N=Nc2c1cc(ccc1c(cc2S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc34)S([O-])(=O)=O)cc5C)nc(Cl)n6,"InChI=1/C31H22Cl2N8O12S4.4Na/c1-14-10-25(15(2)9-24(14)34-31-36-29(32)35-30(33)37-31)40-38-23-8-7-22(18-5-3-16(11-20(18)23)54(42,43)44)39-41-28-21-12-17(55(45,46)47)4-6-19(21)26(56(48,49)50)13-27(28)57(51,52)53;;;;/h3-13H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,34,35,36,37);;;;/q;4*+1/p-4",C31H22Cl2N8O12S4.4Na,,,,,,FAQHCOJNDSWFJR-UHFFFAOYSA-J,,,,,,,,,,,
100.093.565,302-968-2,94135-96-3,"5,5-dimethyl-3-decen-2-one","5,5-dimethyldec-3-en-2-one",CC(C)(CCCCC)C=CC(C)=O,CC(C)(CCCCC)C=CC(C)=O,"InChI=1/C12H22O/c1-5-6-7-9-12(3,4)10-8-11(2)13/h8,10H,5-7,9H2,1-4H3",C12H22O,,,,,,FEDALTYBCNYVKG-UHFFFAOYSA-N,,,,,,,,,,,
100.093.568,302-971-9,94135-99-6,N-[4-(aminomethyl)phenyl]benzenesulphonamide monohydrochloride,N-[4-(aminomethyl)phenyl]benzenesulfonamide hydrochloride,Cl.NCc1ccc(NS(=O)(=O)c2ccccc2)cc1,Cl.NCc1ccc(NS(=O)(=O)c2ccccc2)cc1,"InChI=1/C13H14N2O2S.ClH/c14-10-11-6-8-12(9-7-11)15-18(16,17)13-4-2-1-3-5-13;/h1-9,15H,10,14H2;1H",C13H14N2O2S.ClH,,,,,,DPFVUKKSEKESLJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.569,302-972-4,94136-00-2,"4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenylbenzenesulphonamide","4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-N-phenylbenzenesulfonamide",O=C1N(Cc2ccc(cc2)S(=O)(=O)Nc3ccccc3)C(=O)c4ccccc14,O=C1N(Cc2ccc(cc2)S(=O)(=O)Nc3ccccc3)C(=O)c4ccccc14,"InChI=1/C21H16N2O4S/c24-20-18-8-4-5-9-19(18)21(25)23(20)14-15-10-12-17(13-11-15)28(26,27)22-16-6-2-1-3-7-16/h1-13,22H,14H2",C21H16N2O4S,,,,,,SMUPUARPBURVSD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.570,302-974-5,94136-01-3,5-(2-bromoethyl)quinolin-8-ol,5-(2-bromoethyl)quinolin-8-ol,Oc1ccc(CCBr)c2cccnc12,Oc1ccc(CCBr)c2cccnc12,"InChI=1/C11H10BrNO/c12-6-5-8-3-4-10(14)11-9(8)2-1-7-13-11/h1-4,7,14H,5-6H2",C11H10BrNO,,,,,,QJLCMWNBAWWWHS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.576,302-980-8,94136-08-0,[3-[(2-hydroxynaphthyl)azo]phenyl]dimethylammonium methyl sulphate,"3-[(2-hydroxy-1-naphthyl)diazenyl]-N,N-dimethylanilinium methyl sulfate",[O-]S(=O)(=O)OC.C[NH+](C)c1cccc(c1)N=Nc2c3ccccc3ccc2O,[O-]S(=O)(=O)OC.C[NH+](C)c1cccc(c1)N=Nc2c3ccccc3ccc2O,"InChI=1/C18H17N3O.CH4O4S/c1-21(2)15-8-5-7-14(12-15)19-20-18-16-9-4-3-6-13(16)10-11-17(18)22;1-5-6(2,3)4/h3-12,22H,1-2H3;1H3,(H,2,3,4)",C18H17N3O.CH4O4S,,,,,,XXSYFVOEXNKQDD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.584,302-989-7,94138-73-5,"Undecanoic acid, compound with 2-aminobutan-1-ol (1:1)",undecanoic acid - 2-aminobutan-1-ol (1:1),CCCCCCCCCCC(=O)O.CCC(N)CO,CCCCCCCCCCC(=O)O.CCC(N)CO,"InChI=1/C11H22O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-4(5)3-6/h2-10H2,1H3,(H,12,13);4,6H,2-3,5H2,1H3",C11H22O2.C4H11NO,,,,,,ZXKUMTYQPZLFAC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.590,302-996-5,94138-81-5,Octacosyl acrylate,octacosyl acrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C31H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-31(32)4-2/h4H,2-3,5-30H2,1H3",C31H60O2,,,,,,HJZOFAWRMPYCHL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.591,302-997-0,94138-82-6,Triacontyl acrylate,triacontyl acrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C33H64O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-33(34)4-2/h4H,2-3,5-32H2,1H3",C33H64O2,,,,,,JVYCFGPPVMLAAL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.592,302-998-6,94138-83-7,Hentriacontyl acrylate,hentriacontyl acrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C34H66O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34(35)4-2/h4H,2-3,5-33H2,1H3",C34H66O2,,,,,,HTVKZPXLHGYWEW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.593,302-999-1,94138-84-8,Dotriacontyl acrylate,dotriacontyl acrylate,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1/C35H68O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-35(36)4-2/h4H,2-3,5-34H2,1H3",C35H68O2,,,,,,KDGKWTUPVIYBIW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.275,303-749-4,94213-45-3,N-(tert-butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide,N-(tert-butoxycarbonyl)-D-methionylglycyl-3-(2-anilinopropanoyl)-4-nitro-L-prolinamide,CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC(C([C@H]1C(=O)N)C(=O)[C@H](C)Nc2ccccc2)[N+](=O)[O-],CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC(C([C@H]1C(=O)N)C(=O)[C@H](C)Nc2ccccc2)[N+](=O)[O-],"InChI=1/C26H38N6O8S/c1-15(29-16-9-7-6-8-10-16)22(34)20-18(32(38)39)14-31(21(20)23(27)35)19(33)13-28-24(36)17(11-12-41-5)30-25(37)40-26(2,3)4/h6-10,15,17-18,20-21,29H,11-14H2,1-5H3,(H2,27,35)(H,28,36)(H,30,37)",C26H38N6O8S,,,,,,YMVGLXATRAAAQF-DXWGYPPOSA-N,,,,,,,,,,,
100.094.283,303-758-3,94213-54-4,2-(stearoyloxy)ethylammonium acetate,2-(stearoyloxy)ethanaminium acetate,CCCCCCCCCCCCCCCCCC(=O)OCC[NH3+].CC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[NH3+].CC(=O)[O-],"InChI=1/C20H41NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21;1-2(3)4/h2-19,21H2,1H3;1H3,(H,3,4)",C20H41NO2.C2H4O2,,,,,,IXEHSPWRWPJJEY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.286,303-762-5,94213-57-7,"2-[8-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane","2-(8-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl)-1,3-dioxolane",CC(C)C1CC2C=C(C)C1CC2C3OCCO3,CC(C)C1CC2C=C(C)C1CC2C3OCCO3,"InChI=1/C15H24O2/c1-9(2)12-7-11-6-10(3)13(12)8-14(11)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3",C15H24O2,,,,,,MKFWRLZVXHMRGW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.290,303-766-7,94213-61-3,Disodium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl] 2-sulphonatosuccinate,disodium 4-{2-[(2-hydroxyethyl)(stearoyl)amino]ethoxy}-4-oxo-3-sulfonatobutanoate,[Na+].[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C26H49NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-26(32)23(22-25(30)31)37(33,34)35;;/h23,28H,2-22H2,1H3,(H,30,31)(H,33,34,35);;/q;2*+1/p-2",C26H49NO9S.2Na,,,,,,JIILLPMUDWEWBE-UHFFFAOYSA-L,,,,,,,,,,,
100.094.292,303-768-8,94213-63-5,Diammonium 1-octadecyl 2-sulphonatosuccinate,diammonium 4-(octadecyloxy)-4-oxo-3-sulfonatobutanoate,[NH4+].[NH4+].CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[NH4+].[NH4+].CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C22H42O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*1H3",C22H42O7S.2H3N,,,,,,YUMOQEPYKZQZCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.307,303-785-0,94230-74-7,Tetrapotassium [(octylimino)bis(methylene)]bisphosphonate,tetrapotassium [(octylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.4K/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4",C10H25NO6P2.4K,,,,,,PUONZEIQHJRVRU-UHFFFAOYSA-J,,,,,,,,,,,
100.094.309,303-787-1,94230-76-9,Tripotassium hydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate,tripotassium hydrogen {[(2-ethylhexyl)imino]bis(methylene)}bis(phosphonate),[K+].[K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.3K/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;/q;3*+1/p-4",C10H25NO6P2.3K,,,,,,LNTAKMWTPRKCRO-UHFFFAOYSA-J,,,,,,,,,,,
100.094.311,303-789-2,94230-78-1,Dipotassium dihydrogen [(heptylimino)bis(methylene)]bisphosphonate,dipotassium dihydrogen [(heptylimino)bis(methylene)]bis(phosphonate),[K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.2K/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;/q;2*+1/p-4",C9H23NO6P2.2K,,,,,,CRZDWZZMNQMLQR-UHFFFAOYSA-J,,,,,,,,,,,
100.094.312,303-790-8,94230-79-2,Tripotassium hydrogen [(heptylimino)bis(methylene)]bisphosphonate,tripotassium hydrogen [(heptylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.3K/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-4",C9H23NO6P2.3K,,,,,,UREIUGWBHAULJK-UHFFFAOYSA-J,,,,,,,,,,,
100.094.888,304-423-4,94266-18-9,N-[2-[(2-aminoethyl)amino]ethyl]stearamide hydrochloride,N-{2-[(2-aminoethyl)amino]ethyl}octadecanamide hydrochloride,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCNCCN,Cl.CCCCCCCCCCCCCCCCCC(=O)NCCNCCN,"InChI=1/C22H47N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;/h24H,2-21,23H2,1H3,(H,25,26);1H",C22H45N3O.xClH,,,,,,BOBAFODJAVWYNT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.893,304-429-7,94266-23-6,3-(2-methyl-4-nitrophenyl)-1-triazene-1-carbonitrile,3-(2-methyl-4-nitrophenyl)triaz-1-ene-1-carbonitrile,[O-][N+](=O)c1ccc(NN=NC#N)c(C)c1,[O-][N+](=O)c1ccc(NN=NC#N)c(C)c1,"InChI=1/C8H7N5O2/c1-6-4-7(13(14)15)2-3-8(6)11-12-10-5-9/h2-4H,1H3,(H,10,11)",C8H7N5O2,,,,,,BSAGCFIQELKZPY-UHFFFAOYSA-N,,,,,,,,,,,
100.093.598,303-004-3,94138-89-3,"2,4-dimethylhexane-2,5-diamine","2,4-dimethylhexane-2,5-diamine",CC(N)C(C)CC(C)(C)N,CC(N)C(C)CC(C)(C)N,"InChI=1/C8H20N2/c1-6(7(2)9)5-8(3,4)10/h6-7H,5,9-10H2,1-4H3",C8H20N2,,,,,,HPQKNNWENQFDLP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.604,303-011-1,94138-96-2,"1-(2-aminoethyl)-2-heptadecyl-4,5-dihydro-1-methyl-1H-imidazolium methyl sulphate","1-(2-aminoethyl)-2-heptadecyl-1-methyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate",CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN.COS(=O)(=O)[O-],"InChI=1/C23H48N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-20-22-26(23,2)21-19-24;1-5-6(2,3)4/h3-22,24H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",C23H48N3.CH3O4S,,,,,,UIVMSFKCUAGYFD-UHFFFAOYSA-M,,,,,,,,,,,
100.093.607,303-014-8,94139-00-1,Cyclooct-4-en-1-yl propionate,cyclooct-4-en-1-yl propionate,CCC(=O)OC1CCCC=CCC1,CCC(=O)OC1CCCC=CCC1,"InChI=1/C11H18O2/c1-2-11(12)13-10-8-6-4-3-5-7-9-10/h3-4,10H,2,5-9H2,1H3",C11H18O2,,,,,,GYPGHUSMHOALCO-ARJAWSKDSA-N,,,,,,,,,,,
100.093.608,303-015-3,94139-01-2,4-cycloocten-1-yl butyrate,cyclooct-4-en-1-yl butyrate,CCCC(=O)OC1CCCC=CCC1,CCCC(=O)OC1CCCC=CCC1,"InChI=1/C12H20O2/c1-2-8-12(13)14-11-9-6-4-3-5-7-10-11/h3-4,11H,2,5-10H2,1H3",C12H20O2,,,,,,XUEDLQFTUOWOOY-ARJAWSKDSA-N,,,,,,,,,,,
100.093.610,303-017-4,94139-03-4,Ethyl 3-(3-fluoro-4-hydroxyphenyl)propionate,ethyl 3-(3-fluoro-4-hydroxyphenyl)propanoate,CCOC(=O)CCc1ccc(O)c(F)c1,CCOC(=O)CCc1ccc(O)c(F)c1,"InChI=1/C11H13FO3/c1-2-15-11(14)6-4-8-3-5-10(13)9(12)7-8/h3,5,7,13H,2,4,6H2,1H3",C11H13FO3,,,,,,NZRVUWDDVNJOHS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.615,303-023-7,94139-08-9,N-[2-[(2-hydroxyethyl)amino]ethyl]dodecanamide monoacetate,N-{2-[(2-hydroxyethyl)amino]ethyl}dodecanamide acetate (salt),CCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O,CCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O,"InChI=1/C16H34N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-12-17-14-15-19;1-2(3)4/h17,19H,2-15H2,1H3,(H,18,20);1H3,(H,3,4)",C16H34N2O2.C2H4O2,,,,,,WNSQLIIPCKPCIC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.620,303-028-4,94139-13-6,"N,N-bis(2-hydroxyethyl)dodecanamide monoacetate","N,N-bis(2-hydroxyethyl)dodecanamide acetate (salt)",CCCCCCCCCCCC(=O)N(CCO)CCO.CC(=O)O,CCCCCCCCCCCC(=O)N(CCO)CCO.CC(=O)O,"InChI=1/C16H33NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19;1-2(3)4/h18-19H,2-15H2,1H3;1H3,(H,3,4)",C16H33NO3.C2H4O2,,,,,,LAHJGVYOOBHGIX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.621,303-030-5,94139-14-7,Bis(2-hydroxyethyl)tetradecylammonium acetate,"N,N-bis(2-hydroxyethyl)tetradecan-1-aminium acetate",CCCCCCCCCCCCCC[NH+](CCO)CCO.CC(=O)[O-],CCCCCCCCCCCCCC[NH+](CCO)CCO.CC(=O)[O-],"InChI=1/C18H39NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21;1-2(3)4/h20-21H,2-18H2,1H3;1H3,(H,3,4)",C18H37NO3.C2H4O2,,,,,,FMYGYMKGDFGJPU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.623,303-032-6,94139-16-9,Sucrose pentamyristate,"3,4-di-O-tetradecanoyl-beta-D-fructofuranosyl 2,3,4-tri-O-tetradecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCC,"InChI=1/C82H152O16/c1-6-11-16-21-26-31-36-41-46-51-56-61-71(86)92-76-69(66-83)91-81(79(95-74(89)64-59-54-49-44-39-34-29-24-19-14-9-4)78(76)94-73(88)63-58-53-48-43-38-33-28-23-18-13-8-3)98-82(68-85)80(96-75(90)65-60-55-50-45-40-35-30-25-20-15-10-5)77(70(67-84)97-82)93-72(87)62-57-52-47-42-37-32-27-22-17-12-7-2/h69-70,76-81,83-85H,6-68H2,1-5H3",C82H152O16,,,,,,ABFDKRKCFJZBFY-KHTCFBCBSA-N,,,,,,,,,,,
100.093.884,303-319-6,94160-35-7,2-butoxyethyl 4-(4-chloro-2-methylphenoxy)butyrate,2-butoxyethyl 4-(4-chloro-2-methylphenoxy)butanoate,CCCCOCCOC(=O)CCCOc1ccc(Cl)cc1C,CCCCOCCOC(=O)CCCOc1ccc(Cl)cc1C,"InChI=1/C17H25ClO4/c1-3-4-9-20-11-12-22-17(19)6-5-10-21-16-8-7-15(18)13-14(16)2/h7-8,13H,3-6,9-12H2,1-2H3",C17H25ClO4,,,,,,JTOPPOKWSSPXIO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.890,303-325-9,94160-41-5,"2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-[[[(4-sulphophenyl)amino]carbonyl]amino]benzoic] acid","2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[imino(3-hydroxy-1-oxobut-2-ene-1,2-diyl)diazene-2,1-diyl]}bis(5-{[(4-sulfophenyl)carbamoyl]amino}benzoic acid)",OS(=O)(=O)c1ccc(cc1)NC(=O)Nc6ccc(N=NC(=C(C)O)C(=O)Nc2ccc(cc2C)c5ccc(NC(=O)C(N=Nc3ccc(cc3C(O)=O)NC(=O)Nc4ccc(cc4)S(O)(=O)=O)=C(C)O)c(C)c5)c(c6)C(O)=O,OS(=O)(=O)c1ccc(cc1)NC(=O)Nc6ccc(N=NC(=C(C)O)C(=O)Nc2ccc(cc2C)c5ccc(NC(=O)C(N=Nc3ccc(cc3C(O)=O)NC(=O)Nc4ccc(cc4)S(O)(=O)=O)=C(C)O)c(C)c5)c(c6)C(O)=O,"InChI=1/C50H44N10O16S2/c1-25-21-29(5-17-39(25)55-45(63)43(27(3)61)59-57-41-19-11-33(23-37(41)47(65)66)53-49(69)51-31-7-13-35(14-8-31)77(71,72)73)30-6-18-40(26(2)22-30)56-46(64)44(28(4)62)60-58-42-20-12-34(24-38(42)48(67)68)54-50(70)52-32-9-15-36(16-10-32)78(74,75)76/h5-24,61-62H,1-4H3,(H,55,63)(H,56,64)(H,65,66)(H,67,68)(H2,51,53,69)(H2,52,54,70)(H,71,72,73)(H,74,75,76)",C50H44N10O16S2,,,,,,ACCVLZNQUNDOGM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.907,304-444-9,94266-37-2,Aluminium heptadecanoate,aluminum triheptadecanoate,[Al+3].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/3C17H34O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h3*2-16H2,1H3,(H,18,19);/q;;;+3/p-3",C17H34O2.1/3Al,,,,,,IVBDXIGKGSOAPT-UHFFFAOYSA-K,,,,,,,,,,,
100.094.919,304-458-5,94266-50-9,"L-arginine mono[(R)-4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-a-methylbenzeneacetate]","2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acid - L-arginine (1:1)",C[C@@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O.N[C@@H](CCCNC(=N)N)C(=O)O,C[C@@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O.N[C@@H](CCCNC(=N)N)C(=O)O,"InChI=1/C17H15NO3.C6H14N4O2/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19;7-4(5(11)12)2-1-3-10-6(8)9/h2-9,11H,10H2,1H3,(H,20,21);4H,1-3,7H2,(H,11,12)(H4,8,9,10)",C17H15NO3.C6H14N4O2,,,,,,YFPJISRTMKXOTD-PPXKCNQSSA-N,,,,,,,,,,,
100.094.922,304-461-1,94275-73-7,Titanium acrylate,titanium(2+) diacrylate,[Ti+2].[O-]C(=O)C=C.[O-]C(=O)C=C,[Ti+2].[O-]C(=O)C=C.[O-]C(=O)C=C,"InChI=1/2C3H4O2.Ti/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",C3H4O2.xTi,,,,,,DMDDYCNKHOIQRD-UHFFFAOYSA-L,,,,,,,,,,,
100.094.924,304-463-2,94275-75-9,Copper(1+) methacrylate,copper(1+) methacrylate,[Cu+].CC(=C)C(=O)[O-],[Cu+].CC(=C)C(=O)[O-],"InChI=1/C4H6O2.Cu/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",C4H6O2.Cu,,,,,,GZMLYGQURVFHLG-UHFFFAOYSA-M,,,,,,,,,,,
100.094.925,304-464-8,94275-76-0,Iron(2+) methacrylate,iron(2+) bis(2-methylacrylate),[Fe+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],[Fe+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-],"InChI=1/2C4H6O2.Fe/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",C4H6O2.1/2Fe,,,,,,ZWZHJDRBENYHMK-UHFFFAOYSA-L,,,,,,,,,,,
100.094.929,304-469-5,94275-80-6,7-bromo-5-chloroquinolin-ol,7-bromo-5-chloroquinolin-2-ol,Oc1ccc2c(Cl)cc(Br)cc2n1,Oc1ccc2c(Cl)cc(Br)cc2n1,"InChI=1/C9H5BrClNO/c10-5-3-7(11)6-1-2-9(13)12-8(6)4-5/h1-4H,(H,12,13)",C9H5BrClNO,,,,,,AFLLVELQLSQJHK-UHFFFAOYSA-N,,,,,,,,,,,
100.096.633,306-347-7,97158-18-4,Strontium hexabromosilicate(2-),strontium hexabromosilicate(2-),[Sr+2].Br[Si-2](Br)(Br)(Br)(Br)Br,[Sr+2].Br[Si-2](Br)(Br)(Br)(Br)Br,"InChI=1/Br6Si.Sr/c1-7(2,3,4,5)6;/q-2;+2",Br6Si.Sr,,,,,,BHKKKGQOJJNFQR-UHFFFAOYSA-N,,,,,,,,,,,
100.096.654,306-370-2,97158-39-9,Allyl 2-methylisocrotonate,allyl 2-methylbut-2-enoate,C\\C=C(\\C)/C(=O)OCC=C,C\C=C(\C)/C(=O)OCC=C,"InChI=1/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3",C8H12O2,,,,,,ODOZNBUSHKFCSH-ALCCZGGFSA-N,,,,,,,,,,,
100.096.655,306-371-8,97158-40-2,[2-(1-isobutoxyethoxy)ethyl]benzene,[2-(1-isobutoxyethoxy)ethyl]benzene,CC(C)COC(C)OCCc1ccccc1,CC(C)COC(C)OCCc1ccccc1,"InChI=1/C14H22O2/c1-12(2)11-16-13(3)15-10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3",C14H22O2,,,,,,LADOWCFANOYUTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.656,306-372-3,97158-41-3,Sodium 1-cyclohexyl 4-(2-methylpropyl) sulphonatosuccinate,"sodium 1-(cyclohexyloxy)-4-isobutoxy-1,4-dioxobutane-2-sulfonate",[Na+].CC(C)COC(=O)CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-],[Na+].CC(C)COC(=O)CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-],"InChI=1/C14H24O7S.Na/c1-10(2)9-20-13(15)8-12(22(17,18)19)14(16)21-11-6-4-3-5-7-11;/h10-12H,3-9H2,1-2H3,(H,17,18,19);/q;+1/p-1",C14H24O7S.Na,,,,,,GABNUIIHUFPRRP-UHFFFAOYSA-M,,,,,,,,,,,
100.096.657,306-373-9,97158-42-4,Europium(2+) hexafluorosilicate(2-),europium(2+) hexafluorosilicate,[Eu+2].F[Si-2](F)(F)(F)(F)F,[Eu+2].F[Si-2](F)(F)(F)(F)F,"InChI=1/Eu.F6Si/c;1-7(2,3,4,5)6/q+2;-2",Eu.F6Si,,,,,,OQZDFLJAVNWMIC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.662,306-379-1,97158-49-1,"Benzothiazole-2(3H)-thione, sodium salt, compound with 2-aminoethanol",-,[Na+].NCCO.S=C1Nc2ccccc2S1,[Na+].NCCO.S=C1Nc2ccccc2S1,"InChI=1/C7H5NS2.C2H7NO.Na/c9-7-8-5-3-1-2-4-6(5)10-7;3-1-2-4;/h1-4H,(H,8,9);4H,1-3H2;/q;;+1",C7H5NS2.xC2H7NO.Na,,,,,,BAPFZFPIHZFJMA-UHFFFAOYSA-N,,,,,,,,,,,
100.096.666,306-383-3,97158-53-7,"Camphoric acid, compound with (R)-N-ethyl-a-methyl-3-(trifluoromethyl)phenethylamine (1:1)","1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid - N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (1:1)",CCN[C@H](C)Cc1cccc(c1)C(F)(F)F.CC2(C)C(CCC2(C)C(=O)O)C(=O)O,CCN[C@H](C)Cc1cccc(c1)C(F)(F)F.CC2(C)C(CCC2(C)C(=O)O)C(=O)O,"InChI=1/C12H16F3N.C10H16O4/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h4-6,8-9,16H,3,7H2,1-2H3;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)",C12H16F3N.C10H16O4,,,,,,GBMYZGXLAHAFPC-SBSPUUFOSA-N,,,,,,,,,,,
100.094.319,303-798-1,94230-86-1,"1,3-bis[2-(phosphonooxy)ethoxy]propan-2-ol, zinc salt",-,[Zn+2].OC(COCCOP(=O)(O)O)COCCOP(=O)(O)O,[Zn+2].OC(COCCOP(=O)(O)O)COCCOP(=O)(O)O,"InChI=1/C7H18O11P2.Zn/c8-7(5-15-1-3-17-19(9,10)11)6-16-2-4-18-20(12,13)14;/h7-8H,1-6H2,(H2,9,10,11)(H2,12,13,14);/q;+2",C7H18O11P2.xZn,,,,,,DHLKMIKKRKYZKI-UHFFFAOYSA-N,,,,,,,,,,,
100.094.322,303-801-6,94230-89-4,"2-(cyclobutylcarbonyl)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline","2-(cyclobutylcarbonyl)-1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline",COc1ccc(CC2N(CCC3=C2CCCC3)C(=O)C4CCC4)cc1,COc1ccc(CC2N(CCC3=C2CCCC3)C(=O)C4CCC4)cc1,"InChI=1/C22H29NO2/c1-25-19-11-9-16(10-12-19)15-21-20-8-3-2-5-17(20)13-14-23(21)22(24)18-6-4-7-18/h9-12,18,21H,2-8,13-15H2,1H3",C22H29NO2,,,,,,OOXMFCUTPBVMQD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.891,303-326-4,94160-42-6,"Tetrasodium 2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-[[[(4-sulphonatophenyl)amino]carbonyl]amino]benzoate]","tetrasodium 2,2'-{(3,3'-dimethylbiphenyl-4,4'-diyl)bis[imino(3-hydroxy-1-oxobut-2-ene-1,2-diyl)diazene-2,1-diyl]}bis(5-{[(4-sulfonatophenyl)carbamoyl]amino}benzoate)",[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)NC(=O)Nc6ccc(N=NC(=C(C)O)C(=O)Nc2ccc(cc2C)c5ccc(NC(=O)C(N=Nc3ccc(cc3C([O-])=O)NC(=O)Nc4ccc(cc4)S([O-])(=O)=O)=C(C)O)c(C)c5)c(c6)C([O-])=O,[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)NC(=O)Nc6ccc(N=NC(=C(C)O)C(=O)Nc2ccc(cc2C)c5ccc(NC(=O)C(N=Nc3ccc(cc3C([O-])=O)NC(=O)Nc4ccc(cc4)S([O-])(=O)=O)=C(C)O)c(C)c5)c(c6)C([O-])=O,"InChI=1/C50H44N10O16S2.4Na/c1-25-21-29(5-17-39(25)55-45(63)43(27(3)61)59-57-41-19-11-33(23-37(41)47(65)66)53-49(69)51-31-7-13-35(14-8-31)77(71,72)73)30-6-18-40(26(2)22-30)56-46(64)44(28(4)62)60-58-42-20-12-34(24-38(42)48(67)68)54-50(70)52-32-9-15-36(16-10-32)78(74,75)76;;;;/h5-24,61-62H,1-4H3,(H,55,63)(H,56,64)(H,65,66)(H,67,68)(H2,51,53,69)(H2,52,54,70)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4",C50H44N10O16S2.4Na,,,,,,VCIPNUSVYSMACY-UHFFFAOYSA-J,,,,,,,,,,,
100.093.900,303-336-9,94166-40-2,"2-[3-[6-methoxy-5-methyl-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]-2-(methylthio)-1-propenyl]-1-methylnaphtho[1,2-d]thiazolium","3-{6-methoxy-5-methyl-2-[3-(1-methylnaphtho[1,2-d][1,3]thiazol-1-ium-2-yl)-2-(methylsulfanyl)prop-2-en-1-ylidene]-1,3-benzoselenazol-3(2H)-yl}propane-1-sulfonate",C[n+]3c4c5ccccc5ccc4sc3C=C(SC)C=C2[Se]c1cc(OC)c(C)cc1N2CCCS([O-])(=O)=O,C[n+]3c4c5ccccc5ccc4sc3C=C(SC)C=C2[Se]c1cc(OC)c(C)cc1N2CCCS([O-])(=O)=O,"InChI=1/C28H28N2O4S3Se/c1-18-14-22-25(17-23(18)34-3)38-27(30(22)12-7-13-37(31,32)33)16-20(35-4)15-26-29(2)28-21-9-6-5-8-19(21)10-11-24(28)36-26/h5-6,8-11,14-17H,7,12-13H2,1-4H3",C28H28N2O4S3Se,,,,,,YIXGGWUUBQQLFX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.903,303-340-0,94166-45-7,"2-[(3-ethyl-5-methoxy-3H-benzothiazol-2-ylidene)methyl]-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium","3-{2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]naphtho[1,2-d][1,3]thiazol-1-ium-1-yl}propane-1-sulfonate",[O-]S(=O)(=O)CCC[n+]3c4c5ccccc5ccc4sc3C=C2Sc1ccc(cc1N2CC)OC,[O-]S(=O)(=O)CCC[n+]3c4c5ccccc5ccc4sc3C=C2Sc1ccc(cc1N2CC)OC,"InChI=1/C25H24N2O4S3/c1-3-26-20-15-18(31-2)10-12-21(20)32-23(26)16-24-27(13-6-14-34(28,29)30)25-19-8-5-4-7-17(19)9-11-22(25)33-24/h4-5,7-12,15-16H,3,6,13-14H2,1-2H3",C25H24N2O4S3,,,,,,AVDOWZPVEXHXLX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.906,303-343-7,94166-48-0,"N'-(2-chloro-4-isocyanatophenyl)-2,2-dimethylpropionohydrazide","N'-(2-chloro-4-isocyanatophenyl)-2,2-dimethylpropanehydrazide",Clc1cc(ccc1NNC(=O)C(C)(C)C)/N=C=O,Clc1cc(ccc1NNC(=O)C(C)(C)C)/N=C=O,"InChI=1/C12H14ClN3O2/c1-12(2,3)11(18)16-15-10-5-4-8(14-7-17)6-9(10)13/h4-6,15H,1-3H3,(H,16,18)",C12H14ClN3O2,,,,,,ZOTAFLXGCCHEDV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.908,303-345-8,94166-50-4,"N,N''-ethylenebis[N'-[2-methyl-5-[[(octadecylamino)carbonyl]amino]phenyl]urea]","N',N'''-ethane-1,2-diylbis(1-{2-methyl-5-[(octadecylcarbamoyl)amino]phenyl}urea)",CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)c(NC(=O)NCCNC(=O)Nc2cc(NC(=O)NCCCCCCCCCCCCCCCCCC)ccc2C)c1,CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)c(NC(=O)NCCNC(=O)Nc2cc(NC(=O)NCCCCCCCCCCCCCCCCCC)ccc2C)c1,"InChI=1/C56H98N8O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-57-53(65)61-49-39-37-47(3)51(45-49)63-55(67)59-43-44-60-56(68)64-52-46-50(40-38-48(52)4)62-54(66)58-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-40,45-46H,5-36,41-44H2,1-4H3,(H2,57,61,65)(H2,58,62,66)(H2,59,63,67)(H2,60,64,68)",C56H98N8O4,,,,,,UFWQSIAUKNYULV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.918,303-356-8,94166-60-6,N-(6-methoxy-3-nitro-2-pyridyl)ethylenediamine,"N-(6-methoxy-3-nitropyridin-2-yl)ethane-1,2-diamine",COc1ccc(c(NCCN)n1)[N+](=O)[O-],COc1ccc(c(NCCN)n1)[N+](=O)[O-],"InChI=1/C8H12N4O3/c1-15-7-3-2-6(12(13)14)8(11-7)10-5-4-9/h2-3H,4-5,9H2,1H3,(H,10,11)",C8H12N4O3,,,,,,LCBOUOIZAQDTRX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.921,303-359-4,94166-63-9,"6-methoxy-N2-phenylpyridine-2,3-diamine monohydrochloride","6-methoxy-N~2~-phenylpyridine-2,3-diamine hydrochloride",Cl.COc1ccc(N)c(Nc2ccccc2)n1,Cl.COc1ccc(N)c(Nc2ccccc2)n1,"InChI=1/C12H13N3O.ClH/c1-16-11-8-7-10(13)12(15-11)14-9-5-3-2-4-6-9;/h2-8H,13H2,1H3,(H,14,15);1H",C12H13N3O.ClH,,,,,,JUJNXNJFDKXSSR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.927,303-366-2,94166-69-5,"Calcium naphthalene-2,7-disulphonate","calcium naphthalene-2,7-disulfonate",[Ca+2].[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-],[Ca+2].[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.Ca/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+2/p-2",C10H8O6S2.Ca,,,,,,GPZTVGCIEPTNIV-UHFFFAOYSA-L,,,,,,,,,,,
100.093.929,303-368-3,94166-71-9,"4,4'-[(phenylimino)bis(methylene)]bis(benzenesulphonic) acid","4,4'-[(phenylimino)bis(methylene)]dibenzenesulfonic acid",OS(=O)(=O)c1ccc(CN(Cc2ccc(cc2)S(=O)(=O)O)c3ccccc3)cc1,OS(=O)(=O)c1ccc(CN(Cc2ccc(cc2)S(=O)(=O)O)c3ccccc3)cc1,"InChI=1/C20H19NO6S2/c22-28(23,24)19-10-6-16(7-11-19)14-21(18-4-2-1-3-5-18)15-17-8-12-20(13-9-17)29(25,26)27/h1-13H,14-15H2,(H,22,23,24)(H,25,26,27)",C20H19NO6S2,,,,,,LFAQPTTZBFNESY-UHFFFAOYSA-N,,,,,,,,,,,
100.093.935,303-375-1,94166-77-5,"3,3'-[[[4-[(4-ethoxyphenyl)amino]phenyl]methylene]bis[(3-methyl-4,1-phenylene)(ethylimino)methylene]]bis(benzenesulphonic) acid","3,3'-{({4-[(4-ethoxyphenyl)amino]phenyl}methylene)bis[(3-methyl-4,1-phenylene)(ethylimino)methylene]}dibenzenesulfonic acid",CCOc1ccc(Nc2ccc(cc2)C(c3ccc(cc3C)N(CC)Cc4cccc(c4)S(=O)(=O)O)c5ccc(cc5C)N(CC)Cc6cccc(c6)S(=O)(=O)O)cc1,CCOc1ccc(Nc2ccc(cc2)C(c3ccc(cc3C)N(CC)Cc4cccc(c4)S(=O)(=O)O)c5ccc(cc5C)N(CC)Cc6cccc(c6)S(=O)(=O)O)cc1,"InChI=1/C47H51N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30,47-48H,6-8,31-32H2,1-5H3,(H,51,52,53)(H,54,55,56)",C47H51N3O7S2,,,,,,SPCVJBCPVGCJDG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.323,303-802-1,94230-90-7,"2,5-dimethoxy-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenediazonium chloride","2,5-dimethoxy-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenediazonium chloride",[Cl-].COc2cc([N+]#N)c(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)OC,[Cl-].COc2cc([N+]#N)c(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)OC,"InChI=1/C18H17N5O4.ClH/c1-11(24)17(18(25)20-12-7-5-4-6-8-12)23-22-14-10-15(26-2)13(21-19)9-16(14)27-3;/h4-10,17H,1-3H3;1H",C18H18N5O4.Cl,,,,,,GIPOBELFRXAAAO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.337,303-817-3,94231-04-6,Methyltriphenylphosphonium phenolate,methyl(triphenyl)phosphonium phenolate,C[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4,C[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4,"InChI=1/C19H18P.C6H6O/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;7-6-4-2-1-3-5-6/h2-16H,1H3;1-5,7H/q+1;/p-1",C19H18P.C6H5O,,,,,,MBPWAJRIRJQKIZ-UHFFFAOYSA-M,,,,,,,,,,,
100.094.939,304-480-5,94275-91-9,"Strontium hydrogen 3,4,5,6-tetrachlorophthalate (1:2)","strontium 3,4,5,6-tetrachlorophthalate",[SrH2].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-],[SrH2].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-],"InChI=1/C8H2Cl4O4.Sr.2H/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;;/h(H,13,14)(H,15,16);;;/q;+2;;/p-2/rC8H2Cl4O4.H2Sr/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;/h(H,13,14)(H,15,16);1H2/q;+2/p-2",C8H2Cl4O4.1/2Sr,,,,,,CGQZELLHPUQDHO-UHFFFAOYSA-L,,,,,,,,,,,
100.094.957,304-499-9,94276-12-7,2-chloro-4-[(3-nitrophenyl)azo]benzenediazonium sulphate (1:1),-,N#[N+]c1ccc(cc1Cl)N=Nc2cccc(c2)[N+]([O-])=O.[O-]S([O-])(=O)=O,N#[N+]c1ccc(cc1Cl)N=Nc2cccc(c2)[N+]([O-])=O.[O-]S([O-])(=O)=O,"InChI=1/C12H7ClN5O2.H2O4S/c13-11-7-9(4-5-12(11)15-14)17-16-8-2-1-3-10(6-8)18(19)20;1-5(2,3)4/h1-7H;(H2,1,2,3,4)/q+1;/p-2",C12H7ClN5O2.HO4S,,,,,,XRRAQYRLBWIDNQ-UHFFFAOYSA-L,,,,,,,,,,,
100.094.959,304-501-8,94276-14-9,"3-chlorobenzenediazonium naphthalene-1,5-disulphonate (1:1)",-,[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].Clc3cccc(c3)[N+]#N,[O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].Clc3cccc(c3)[N+]#N,"InChI=1/C10H8O6S2.C6H4ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;7-5-2-1-3-6(4-5)9-8/h1-6H,(H,11,12,13)(H,14,15,16);1-4H/q;+1/p-2",C10H7O6S2.C6H4ClN2,,,,,,WEUAMUUXTMDEKP-UHFFFAOYSA-L,,,,,,,,,,,
100.094.960,304-502-3,94276-15-0,"5-chloro-2-methylbenzenediazonium naphthalene-1,5-disulphonate (2:1)","bis(5-chloro-2-methylbenzenediazonium) naphthalene-1,5-disulfonate",Cc1ccc(Cl)cc1[N+]#N.Cc2ccc(Cl)cc2[N+]#N.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-],Cc1ccc(Cl)cc1[N+]#N.Cc2ccc(Cl)cc2[N+]#N.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-],"InChI=1/C10H8O6S2.2C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-5-2-3-6(8)4-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2",C10H6O6S2.2C7H6ClN2,,,,,,RKYOJPJSEVANLF-UHFFFAOYSA-L,,,,,,,,,,,
100.094.963,304-506-5,94276-19-4,"2,2'-[ethylenebis[imino(3-ethoxy-4,1-phenylene)azo]]bis[3-methylthiazolium] diacetate","2,2'-{ethane-1,2-diylbis[imino(3-ethoxy-4,1-phenylene)diazene-2,1-diyl]}bis(3-methyl-1,3-thiazol-3-ium) diacetate",[O-]C(C)=O.[O-]C(C)=O.C[n+]4ccsc4N=Nc3ccc(NCCNc1ccc(cc1OCC)N=Nc2scc[n+]2C)c(OCC)c3,[O-]C(C)=O.[O-]C(C)=O.C[n+]4ccsc4N=Nc3ccc(NCCNc1ccc(cc1OCC)N=Nc2scc[n+]2C)c(OCC)c3,"InChI=1/C26H30N8O2S2.2C2H4O2/c1-5-35-23-17-19(29-31-25-33(3)13-15-37-25)7-9-21(23)27-11-12-28-22-10-8-20(18-24(22)36-6-2)30-32-26-34(4)14-16-38-26;2*1-2(3)4/h7-10,13-18H,5-6,11-12H2,1-4H3;2*1H3,(H,3,4)",C26H32N8O2S2.2C2H3O2,,,,,,QKNWCLDXYWDEPD-UHFFFAOYSA-N,,,,,,,,,,,
100.096.679,306-398-5,97171-80-7,1-benzyl-3-piperidyl methacrylate,1-benzylpiperidin-3-yl methacrylate,CC(=C)C(=O)OC1CCCN(Cc2ccccc2)C1,CC(=C)C(=O)OC1CCCN(Cc2ccccc2)C1,"InChI=1/C16H21NO2/c1-13(2)16(18)19-15-9-6-10-17(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3",C16H21NO2,,,,,,AMTKJHWIWZRTEY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.680,306-399-0,97171-81-8,1-ethyl-3-piperidinyl methacrylate,1-ethylpiperidin-3-yl methacrylate,CCN1CCCC(C1)OC(=O)C(=C)C,CCN1CCCC(C1)OC(=O)C(=C)C,"InChI=1/C11H19NO2/c1-4-12-7-5-6-10(8-12)14-11(13)9(2)3/h10H,2,4-8H2,1,3H3",C11H19NO2,,,,,,GMEGRHQQIYHJQC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.683,306-403-0,97171-85-2,"Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-, silicate","bis[9-(2-carboxyphenyl)-3,6-bis(ethylamino)xanthenium] oxosilanediolate",CCNc1ccc2c(c3ccccc3C(=O)O)c4ccc(NCC)cc4[o+]c2c1.CCNc5ccc6c(c7ccccc7C(=O)O)c8ccc(NCC)cc8[o+]c6c5.[O-][Si](=O)[O-],CCNc1ccc2c(c3ccccc3C(=O)O)c4ccc(NCC)cc4[o+]c2c1.CCNc5ccc6c(c7ccccc7C(=O)O)c8ccc(NCC)cc8[o+]c6c5.[O-][Si](=O)[O-],"InChI=1/2C24H22N2O3.O3Si/c2*1-3-25-15-9-11-19-21(13-15)29-22-14-16(26-4-2)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;1-4(2)3/h2*5-14,25-26H,3-4H2,1-2H3;/q;;-2/p+2",-,,,,,,ILFUUVCGOKGBSM-UHFFFAOYSA-N,,,,,,,,,,,
100.096.684,306-404-6,97171-86-3,"Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, silicate","bis{9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium} oxosilanediolate",CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCNc5cc6[o+]c7cc(NCC)c(C)cc7c(c8ccccc8C(=O)OCC)c6cc5C.[O-][Si](=O)[O-],CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCNc5cc6[o+]c7cc(NCC)c(C)cc7c(c8ccccc8C(=O)OCC)c6cc5C.[O-][Si](=O)[O-],"InChI=1/2C28H31N2O3.O3Si/c2*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;1-4(2)3/h2*9-16,29-30H,6-8H2,1-5H3;/q2*+1;-2",-,,,,,,NKRICLRORMFSIL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.974,303-417-9,94199-45-8,4-(N-methyl-N-octadecylamino)-3-aminobenzoic acid,3-amino-4-[methyl(octadecyl)amino]benzoic acid,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)C(=O)O,CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)C(=O)O,"InChI=1/C26H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(2)25-20-19-23(26(29)30)22-24(25)27/h19-20,22H,3-18,21,27H2,1-2H3,(H,29,30)",C26H46N2O2,,,,,,KUUQXKLQMIXMMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.992,303-437-8,94199-63-0,"Sodium 4,5-dihydro-2-undecyl-1H-imidazole-1-acetate","sodium (2-undecyl-4,5-dihydro-1H-imidazol-1-yl)acetate",[Na+].CCCCCCCCCCCC1=NCCN1CC(=O)[O-],[Na+].CCCCCCCCCCCC1=NCCN1CC(=O)[O-],"InChI=1/C16H30N2O2.Na/c1-2-3-4-5-6-7-8-9-10-11-15-17-12-13-18(15)14-16(19)20;/h2-14H2,1H3,(H,19,20);/q;+1/p-1",C16H30N2O2.Na,,,,,,CXPCCVSLEPOZQM-UHFFFAOYSA-M,,,,,,,,,,,
100.093.996,303-442-5,94199-68-5,"Diphosphoric acid, compound with 2,2',2''-nitrilotris[ethanol] (1:4)","diphosphoric acid - 2,2',2''-nitrilotriethanol (1:4)",OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OP(=O)(O)O,OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OP(=O)(O)O,"InChI=1/4C6H15NO3.H4O7P2/c4*8-4-1-7(2-5-9)3-6-10;1-8(2,3)7-9(4,5)6/h4*8-10H,1-6H2;(H2,1,2,3)(H2,4,5,6)",C6H15NO3.1/4H4O7P2,,,,,,RVIDKKYESQJWRB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.127,303-586-9,94201-05-5,8-methyl-1-oxaspiro[5.5]undecan-2-one,8-methyl-1-oxaspiro[5.5]undecan-2-one,CC1CCCC2(CCCC(=O)O2)C1,CC1CCCC2(CCCC(=O)O2)C1,"InChI=1/C11H18O2/c1-9-4-2-6-11(8-9)7-3-5-10(12)13-11/h9H,2-8H2,1H3",C11H18O2,,,,,,ARHBNCKQGPMGQO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.134,303-594-2,94201-12-4,"2-(1-methylpentyl)-4-phenyl-1,3-dioxolane","2-(1-methylpentyl)-4-phenyl-1,3-dioxolane",CCCCC(C)C1OCC(O1)c2ccccc2,CCCCC(C)C1OCC(O1)c2ccccc2,"InChI=1/C15H22O2/c1-3-4-8-12(2)15-16-11-14(17-15)13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,3-4,8,11H2,1-2H3",C15H22O2,,,,,,BINOLRXOEXUHNT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.138,303-598-4,94201-16-8,2-(1-methylethyl)-3-[(2-methyl-3-thienyl)thio]pyrazine,2-isopropyl-3-[(2-methyl-3-thienyl)sulfanyl]pyrazine,CC(C)c1nccnc1Sc2ccsc2C,CC(C)c1nccnc1Sc2ccsc2C,"InChI=1/C12H14N2S2/c1-8(2)11-12(14-6-5-13-11)16-10-4-7-15-9(10)3/h4-8H,1-3H3",C12H14N2S2,,,,,,VTNHXYJLRZHYLW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.146,303-608-7,94201-24-8,"2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)propanol","2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)propan-1-ol",C\\C1=C\\CCC(C)(C)C1=CC(C)CO,C\C1=C\CCC(C)(C)C1=CC(C)CO,"InChI=1/C13H22O/c1-10(9-14)8-12-11(2)6-5-7-13(12,3)4/h6,8,10,14H,5,7,9H2,1-4H3",C13H22O,,,,,,RVYMPTPRZXBDOF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.148,303-610-8,94201-26-0,Methyl 2-[(2-methyldecylidene)amino]benzoate,methyl 2-[(2-methyldecylidene)amino]benzoate,COC(=O)c1ccccc1N=CC(C)CCCCCCCC,COC(=O)c1ccccc1N=CC(C)CCCCCCCC,"InChI=1/C19H29NO2/c1-4-5-6-7-8-9-12-16(2)15-20-18-14-11-10-13-17(18)19(21)22-3/h10-11,13-16H,4-9,12H2,1-3H3",C19H29NO2,,,,,,ONNNEAIFEQHXNT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.149,303-611-3,94201-27-1,Methyl 2-[(2-methylundecyl)amino]benzoate,methyl 2-[(2-methylundecyl)amino]benzoate,CCCCCCCCCC(C)CNc1ccccc1C(=O)OC,CCCCCCCCCC(C)CNc1ccccc1C(=O)OC,"InChI=1/C20H33NO2/c1-4-5-6-7-8-9-10-13-17(2)16-21-19-15-12-11-14-18(19)20(22)23-3/h11-12,14-15,17,21H,4-10,13,16H2,1-3H3",C20H33NO2,,,,,,VZKYFDBPSXYVGY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.152,303-615-5,94201-30-6,"a,2,2,3-tetramethylcyclopentanebutyraldehyde","2-methyl-4-(2,2,3-trimethylcyclopentyl)butanal",CC(CCC1CCC(C)C1(C)C)C=O,CC(CCC1CCC(C)C1(C)C)C=O,"InChI=1/C13H24O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h9-12H,5-8H2,1-4H3",C13H24O,,,,,,GUYGVAVSYCHUCB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.153,303-616-0,94201-31-7,"ß,2,2,4-tetramethylcyclopentanepropanol","2-methyl-3-(2,2,4-trimethylcyclopentyl)propan-1-ol",CC(CO)CC1CC(C)CC1(C)C,CC(CO)CC1CC(C)CC1(C)C,"InChI=1/C12H24O/c1-9-5-11(6-10(2)8-13)12(3,4)7-9/h9-11,13H,5-8H2,1-4H3",C12H24O,,,,,,JDXDZOPSWDWWDU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.159,303-622-3,94201-37-3,"3,7-dimethyl-2-methyleneoctan-1-ol","3,7-dimethyl-2-methyleneoctan-1-ol",CC(C)CCCC(C)C(=C)CO,CC(C)CCCC(C)C(=C)CO,"InChI=1/C11H22O/c1-9(2)6-5-7-10(3)11(4)8-12/h9-10,12H,4-8H2,1-3H3",C11H22O,,,,,,GQDKFEMTTWAVMQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.161,303-624-4,94201-39-5,"3-(2,3-dibromophenyl)propionic acid","3-(2,3-dibromophenyl)propanoic acid",OC(=O)CCc1cccc(Br)c1Br,OC(=O)CCc1cccc(Br)c1Br,"InChI=1/C9H8Br2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)",C9H8Br2O2,,,,,,YJZYPZACUFTIIA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.166,303-630-7,94201-44-2,"3ß,17-dihydroxypregn-5-en-20-one 17-hexanoate",3-hydroxy-20-oxopregn-5-en-17-yl hexanoate,CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C,"InChI=1/C27H42O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h9,20-23,29H,5-8,10-17H2,1-4H3",C27H42O4,,,,,,UNRVSFSDQNHLOX-YOEZIVMMSA-N,,,,,,,,,,,
100.096.696,306-417-7,97232-75-2,"(R)-glycolic acid, compound with (S)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline (1:1)","hydroxyacetic acid - 1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline (1:1)",COc1ccc(C[C@@H]2NCCC3=C2CCCC3)cc1.OCC(=O)O,COc1ccc(C[C@@H]2NCCC3=C2CCCC3)cc1.OCC(=O)O,"InChI=1/C17H23NO.C2H4O3/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17;3-1-2(4)5/h6-9,17-18H,2-5,10-12H2,1H3;3H,1H2,(H,4,5)",C17H23NO.C8H8O3,,,,,,RIPYWWDTVSFQJZ-LMOVPXPDSA-N,,,,,,,,,,,
100.096.697,306-418-2,97233-27-7,Diethylammonium (R)-2-(4-chloro-2-methylphenoxy)propionate,N-ethylethanaminium 2-(4-chloro-2-methylphenoxy)propanoate,CC[NH2+]CC.C[C@@H](Oc1ccc(Cl)cc1C)C(=O)[O-],CC[NH2+]CC.C[C@@H](Oc1ccc(Cl)cc1C)C(=O)[O-],"InChI=1/C10H11ClO3.C4H11N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-5-4-2/h3-5,7H,1-2H3,(H,12,13);5H,3-4H2,1-2H3",C10H11ClO3.C4H11N,,,,,,YWWMOSBBXLVHSK-OGFXRTJISA-N,,,,,,,,,,,
100.096.699,306-420-3,97235-50-2,"Zirconium(2+) bis[2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate]","zirconium(2+) bis[2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoate]",[Zr+2].Oc1c(Br)cc2C(c3cc(Br)c(O)c(Br)c3Oc2c1Br)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C(=O)[O-].Oc5c(Br)cc6C(c7cc(Br)c(O)c(Br)c7Oc6c5Br)c8c(Cl)c(Cl)c(Cl)c(Cl)c8C(=O)[O-],[Zr+2].Oc1c(Br)cc2C(c3cc(Br)c(O)c(Br)c3Oc2c1Br)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C(=O)[O-].Oc5c(Br)cc6C(c7cc(Br)c(O)c(Br)c7Oc6c5Br)c8c(Cl)c(Cl)c(Cl)c(Cl)c8C(=O)[O-],"InChI=1/2C20H6Br4Cl4O5.Zr/c2*21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29;/h2*1-2,7,29-30H,(H,31,32);/q;;+2/p-2",C20H4Br4Cl4O5.1/2Zr,,,,,,DZDXJOBGMZGIDY-UHFFFAOYSA-L,,,,,,,,,,,
100.094.362,303-845-6,94231-29-5,"Sodium 1-cyclohexyl-5,5-diethylbarbiturate","sodium 1-cyclohexyl-5,5-diethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1(CC)C(=O)N=C([O-])N(C2CCCCC2)C1=O,[Na+].CCC1(CC)C(=O)N=C([O-])N(C2CCCCC2)C1=O,"InChI=1/C14H22N2O3.Na/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10;/h10H,3-9H2,1-2H3,(H,15,17,19);/q;+1/p-1",C14H22N2O3.Na,,,,,,YASPKSANBFFQBP-UHFFFAOYSA-M,,,,,,,,,,,
100.094.504,304-002-5,94232-73-2,"N,N-dibenzyl-3-methyl-2,2'-spirobi[2H-1-benzopyran]-7-amine","N,N-dibenzyl-3-methyl-2,2'-spirobi[chromen]-7-amine",CC1=Cc2ccc(cc2OC13Oc4ccccc4C=C3)N(Cc5ccccc5)Cc6ccccc6,CC1=Cc2ccc(cc2OC13Oc4ccccc4C=C3)N(Cc5ccccc5)Cc6ccccc6,"InChI=1/C32H27NO2/c1-24-20-28-16-17-29(21-31(28)35-32(24)19-18-27-14-8-9-15-30(27)34-32)33(22-25-10-4-2-5-11-25)23-26-12-6-3-7-13-26/h2-21H,22-23H2,1H3",C32H27NO2,,,,,,PTXQAQMURVVVMY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.514,304-013-5,94232-84-5,"Dicobalt(2+) nickel(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]","dicobalt(2+) nickel(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]",[Co+2].[Co+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Co+2].[Co+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.2Co.Ni/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.Co.1/2Ni,,,,,,MBNVBGYWYMSCIM-UHFFFAOYSA-H,,,,,,,,,,,
100.094.990,304-535-3,94276-50-3,Magnesium tributoxyoxotitanate(2-),magnesium tris(butan-1-olato)(oxo)titanate(2-),[Mg+2].CCCCO[Ti-2](=O)(OCCCC)OCCCC,[Mg+2].CCCCO[Ti-2](=O)(OCCCC)OCCCC,"InChI=1/3C4H9O.Mg.O.Ti/c3*1-2-3-4-5;;;/h3*2-4H2,1H3;;;/q3*-1;+2;;+1/rC12H27O4Ti.Mg/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;/h4-12H2,1-3H3;/q-2;+2",C12H27O4Ti.1/2Mg,,,,,,OINNYYWXIXQSOS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.991,304-536-9,94276-53-6,Magnesium tributoxyoxotitanate(1-) tributoxyoxozirconate(1-),magnesium tris(butan-1-olato)(oxo)titanate(1-) tris(butan-1-olato)(oxo)zirconate(1-),[Mg+2].CCCCO[Ti-](=O)(OCCCC)OCCCC.CCCCO[Zr-](=O)(OCCCC)OCCCC,[Mg+2].CCCCO[Ti-](=O)(OCCCC)OCCCC.CCCCO[Zr-](=O)(OCCCC)OCCCC,"InChI=1/6C4H9O.Mg.2O.Ti.Zr/c6*1-2-3-4-5;;;;;/h6*2-4H2,1H3;;;;;/q6*-1;+2;;;2*+2/rC12H27O4Ti.C12H27O4Zr.Mg/c2*1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;/h2*4-12H2,1-3H3;/q2*-1;+2",C12H27O4Ti.C12H27O4Zr.Mg,,,,,,WSIRYQNAXWSCIL-UHFFFAOYSA-N,,,,,,,,,,,
100.096.715,306-438-1,97259-75-1,Titanium(3+) pentan-1-olate,titanium(3+) tripentan-1-olate,[Ti+3].CCCCC[O-].CCCCC[O-].CCCCC[O-],[Ti+3].CCCCC[O-].CCCCC[O-].CCCCC[O-],"InChI=1/3C5H11O.Ti/c3*1-2-3-4-5-6;/h3*2-5H2,1H3;/q3*-1;+3",C5H12O.1/3Ti,,,,,,FXAHIGTUXPJYRV-UHFFFAOYSA-N,,,,,,,,,,,
100.096.726,306-450-7,97259-86-4,"Pentyl (2Z,4E)-2,4-decadienoate","pentyl deca-2,4-dienoate",CCCCCOC(=O)\\C=C/C=C/CCCCC,CCCCCOC(=O)\C=C/C=C/CCCCC,"InChI=1/C15H26O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h9-11,13H,3-8,12,14H2,1-2H3",C15H26O2,,,,,,PUBVIIJIBSEFGQ-LTCRFSFDSA-N,,,,,,,,,,,
100.096.736,306-461-7,97280-67-6,Barium isobutyl maleate,-,[Ba+2].CC(C)COC(=O)\\C=C/C(=O)[O-],[Ba+2].CC(C)COC(=O)\C=C/C(=O)[O-],"InChI=1/C8H12O4.Ba/c1-6(2)5-12-8(11)4-3-7(9)10;/h3-4,6H,5H2,1-2H3,(H,9,10);/q;+2/p-1",C8H12O4.1/2Ba,,,,,,JOCINOCVJZAYMQ-LNKPDPKZSA-M,,,,,,,,,,,
100.098.284,308-164-8,97889-86-6,Tetra-sec-butylphenol,"2,3,4,5-tetra-sec-butylphenol",CCC(C)c1cc(O)c(C(C)CC)c(C(C)CC)c1C(C)CC,CCC(C)c1cc(O)c(C(C)CC)c(C(C)CC)c1C(C)CC,"InChI=1/C22H38O/c1-9-14(5)18-13-19(23)21(16(7)11-3)22(17(8)12-4)20(18)15(6)10-2/h13-17,23H,9-12H2,1-8H3",C22H38O,,,,,,CBHPYQFMMHSJAU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.569,304-073-2,94236-77-8,Tetradecyl hydrogen azelate,9-oxo-9-(tetradecyloxy)nonanoic acid,CCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O,CCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O,"InChI=1/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-27-23(26)20-17-14-12-13-16-19-22(24)25/h2-21H2,1H3,(H,24,25)",C23H44O4,,,,,,SWJZZQVADSNNAS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.573,304-077-4,94236-81-4,3-(5-chloro-o-tolyl)-1-triazene-1-carbonitrile,3-(5-chloro-2-methylphenyl)triaz-1-ene-1-carbonitrile,Cc1ccc(Cl)cc1NN=NC#N,Cc1ccc(Cl)cc1NN=NC#N,"InChI=1/C8H7ClN4/c1-6-2-3-7(9)4-8(6)12-13-11-5-10/h2-4H,1H3,(H,11,12)",C8H7ClN4,,,,,,PXYNLRQWJQPSSZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.170,303-634-9,94201-48-6,Sodium 1-benzyl-5-phenylbarbiturate,"sodium 1-benzyl-4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].[O-]C1=NC(=O)C(C(=O)N1Cc2ccccc2)c3ccccc3,[Na+].[O-]C1=NC(=O)C(C(=O)N1Cc2ccccc2)c3ccccc3,"InChI=1/C17H14N2O3.Na/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12;/h1-10,14H,11H2,(H,18,20,22);/q;+1/p-1",C17H14N2O3.Na,,,,,,NQVAQHXQDRXALE-UHFFFAOYSA-M,,,,,,,,,,,
100.094.176,303-641-7,94201-54-4,Sodium 5-ethyl-5-methylbarbiturate,"sodium 5-ethyl-5-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1(C)C(=O)NC(=NC1=O)[O-],[Na+].CCC1(C)C(=O)NC(=NC1=O)[O-],"InChI=1/C7H10N2O3.Na/c1-3-7(2)4(10)8-6(12)9-5(7)11;/h3H2,1-2H3,(H2,8,9,10,11,12);/q;+1/p-1",C7H10N2O3.Na,,,,,,JGVGJDZXMRDAAD-UHFFFAOYSA-M,,,,,,,,,,,
100.094.179,303-644-3,94201-57-7,"3,5-diaminopyridin-4-ol","3,5-diaminopyridin-4-ol",Nc1cncc(N)c1O,Nc1cncc(N)c1O,"InChI=1/C5H7N3O/c6-3-1-8-2-4(7)5(3)9/h1-2H,6-7H2,(H,8,9)",C5H7N3O,,,,,,WFLQGXOIDGIFBA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.184,303-650-6,94201-62-4,"2-hydroxypropane-1,3-diyl didocosanoate","2-hydroxypropane-1,3-diyl didocosanoate",CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCC,"InChI=1/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3",C47H92O5,,,,,,GYNODFLZPXTEPN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.188,303-654-8,94201-66-8,"Tetrahydro-6-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2H-pyran-2-one","6-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)tetrahydro-2H-pyran-2-one",CC1CC(CC(=O)O1)C2C(=CCCC2(C)C)C,CC1CC(CC(=O)O1)C2C(=CCCC2(C)C)C,"InChI=1/C15H24O2/c1-10-6-5-7-15(3,4)14(10)12-8-11(2)17-13(16)9-12/h6,11-12,14H,5,7-9H2,1-4H3",C15H24O2,,,,,,BAIZNVNREZOVOH-UHFFFAOYSA-N,,,,,,,,,,,
100.094.195,303-662-1,94201-73-7,Tetrahydro-4-methyl-2-phenyl-2H-pyran,4-methyl-2-phenyltetrahydro-2H-pyran,CC1CCOC(C1)c2ccccc2,CC1CCOC(C1)c2ccccc2,"InChI=1/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3",C12H16O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11594,https://echa.europa.eu/substance-information/-/substanceinfo/100.094.195,GDAVABNCFOTAOD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.196,303-663-7,94201-74-8,"Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate","methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate",COC(=O)c1ccccc1NCCC(C)CCCC(C)(C)O,COC(=O)c1ccccc1NCCC(C)CCCC(C)(C)O,"InChI=1/C18H29NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,14,19,21H,7-8,11-13H2,1-4H3",C18H29NO3,,,,,,YLWASZIQQSARJP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.212,303-681-5,94201-90-8,"Phosphoric acid, 2-ethylhexyl ester, compd. with 2-ethyl-1-hexanamine",2-ethylhexyl dihydrogen phosphate - 2-ethylhexan-1-amine (1:1),CCCCC(CC)CN.CCCCC(CC)COP(=O)(O)O,CCCCC(CC)CN.CCCCC(CC)COP(=O)(O)O,"InChI=1/C8H19N.C8H19O4P/c1-3-5-6-8(4-2)7-9;1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7,9H2,1-2H3;8H,3-7H2,1-2H3,(H2,9,10,11)",-,,,,,,VHXSUAYPMZIIJK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.213,303-682-0,94201-91-9,5-chloro-2-methylisothiazolidin-3-one,5-chloro-2-methylisothiazolidin-3-one,CN1SC(Cl)CC1=O,CN1SC(Cl)CC1=O,"InChI=1/C4H6ClNOS/c1-6-4(7)2-3(5)8-6/h3H,2H2,1H3",C4H6ClNOS,,,,,,SEKMAUCMRCHQMC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.219,303-688-3,94201-97-5,"4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butenoic acid","4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid",COc1c(cc(cc1OC)C(=O)C=CC(O)=O)OC,COc1c(cc(cc1OC)C(=O)C=CC(O)=O)OC,"InChI=1/C13H14O6/c1-17-10-6-8(9(14)4-5-12(15)16)7-11(18-2)13(10)19-3/h4-7H,1-3H3,(H,15,16)",C13H14O6,,,,,,PVCWLTQMJSUKGZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.224,303-694-6,94202-02-5,Tetraammonium [[(1-methylethyl)imino]bis(methylene)]bisphosphonate,tetraammonium [(isopropylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.4H3N/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);4*1H3",C5H15NO6P2.4H3N,,,,,,SEFLBYWDEHMZEU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.225,303-695-1,94202-03-6,Tetraammonium [(propylimino)bis(methylene)]diphosphonate,tetraammonium [(propylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C5H15NO6P2.4H3N/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);4*1H3",C5H15NO6P2.4H3N,,,,,,APOYRUSWICBRMY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.240,303-711-7,94202-18-3,"2,4-dichlorophenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","2,4-dichlorophenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",Clc1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(Cl)c1,Clc1ccc(OS(=O)(=O)c2cccc3C(=O)C(=[N+]=[N-])C=Cc23)c(Cl)c1,"InChI=1/C16H8Cl2N2O4S/c17-9-4-7-14(12(18)8-9)24-25(22,23)15-3-1-2-11-10(15)5-6-13(20-19)16(11)21/h1-8H",C16H8Cl2N2O4S,,,,,,UFWLHIBOVCUXFD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.242,303-713-8,94202-20-7,Dipotassium dihydrogen [(tetradecylimino)bis(methylene)]diphosphonate,dipotassium dihydrogen [(tetradecylimino)bis(methylene)]bis(phosphonate),[K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C16H37NO6P2.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;/q;2*+1/p-4",C16H37NO6P2.2K,,,,,,AXTUTAZWBNITOB-UHFFFAOYSA-J,,,,,,,,,,,
100.094.586,304-092-6,94236-94-9,Diammonium 1-hexadecyl 2-sulphonatosuccinate,diammonium 4-(hexadecyloxy)-4-oxo-3-sulfonatobutanoate,[NH4+].[NH4+].CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[NH4+].[NH4+].CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C20H38O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;;/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*1H3",C20H38O7S.2H3N,,,,,,FOIBHKKRXICHDQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.588,304-094-7,94236-96-1,"1-hexadecyl hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)","4-(hexadecyloxy)-4-oxo-3-sulfobutanoic acid - 2,2',2''-nitrilotriethanol (1:2)",CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO,"InChI=1/C20H38O7S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;2*8-4-1-7(2-5-9)3-6-10/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*8-10H,1-6H2",C20H38O7S.2C6H15NO3,,,,,,SRKWPKLDYNEGAX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.589,304-095-2,94236-97-2,Bis[[bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium] sulphate,bis{2-hydroxy-N-(2-hydroxyethyl)-N-methyl-N-[2-(stearoyloxy)ethyl]ethanaminium} sulfate,CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCO.CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCO.[O-]S(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCO.CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCO.[O-]S(=O)(=O)[O-],"InChI=1/2C25H52NO4.H2O4S/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)30-24-21-26(2,19-22-27)20-23-28;1-5(2,3)4/h2*27-28H,3-24H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",C25H52NO4.1/2O4S,,,,,,KBXJGFSBRHIFFE-UHFFFAOYSA-L,,,,,,,,,,,
100.094.590,304-096-8,94236-98-3,Diammonium 1-icosyl 2-sulphonatosuccinate,diammonium 4-(icosyloxy)-4-oxo-3-sulfonatobutanoate,[NH4+].[NH4+].CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],[NH4+].[NH4+].CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-],"InChI=1/C24H46O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;;/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*1H3",C24H46O7S.2H3N,,,,,,HCSHBWZSWCNZSL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.594,304-100-8,94237-02-2,"Azelaic acid, compound with 1,1'-iminodi(propan-2-ol)","nonanedioic acid - 1,1'-iminodipropan-2-ol (1:1)",CC(O)CNCC(C)O.OC(=O)CCCCCCCC(=O)O,CC(O)CNCC(C)O.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C6H15NO2/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-5(8)3-7-4-6(2)9/h1-7H2,(H,10,11)(H,12,13);5-9H,3-4H2,1-2H3",C9H16O4.xC6H15NO2,,,,,,SLKYCQJGNGACAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.595,304-101-3,94237-03-3,"Azelaic acid, compound with 1-aminopropan-2-ol",nonanedioic acid - 1-aminopropan-2-ol (1:1),CC(O)CN.OC(=O)CCCCCCCC(=O)O,CC(O)CN.OC(=O)CCCCCCCC(=O)O,"InChI=1/C9H16O4.C3H9NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-3(5)2-4/h1-7H2,(H,10,11)(H,12,13);3,5H,2,4H2,1H3",C9H16O4.xC3H9NO,,,,,,CRFKYTUETGQPPX-UHFFFAOYSA-N,,,,,,,,,,,
100.096.573,306-281-9,96692-62-5,"2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate","2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propane-1,3-diyl dioctanoate",CCCCCCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCCCCCC,CCCCCCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCCCCCC,"InChI=1/C27H48O8S2/c1-3-5-7-9-11-13-23(28)32-19-27(21-34-25(30)15-17-36,22-35-26(31)16-18-37)20-33-24(29)14-12-10-8-6-4-2/h36-37H,3-22H2,1-2H3",C27H48O8S2,,,,,,CSHJDPGSPSZKHR-UHFFFAOYSA-N,,,,,,,,,,,
100.098.297,308-178-4,97889-99-1,"Tetrasodium 4,5-dihydroxy-3,6-bis[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate","tetrasodium 4,5-dihydroxy-3,6-bis[(4-nitro-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)c3O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)c3O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O,"InChI=1/C22H14N6O18S4.4Na/c29-21-18-9(5-16(49(41,42)43)19(21)25-23-12-3-1-10(27(31)32)7-14(12)47(35,36)37)6-17(50(44,45)46)20(22(18)30)26-24-13-4-2-11(28(33)34)8-15(13)48(38,39)40;;;;/h1-8,29-30H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4",C22H14N6O18S4.4Na,,,,,,SYONHRDCUXRINH-UHFFFAOYSA-J,,,,,,,,,,,
100.098.302,308-184-7,97890-05-6,"(Z)-2-(3,3-dimethylcyclohexylidene)ethyl acetate","2-(3,3-dimethylcyclohexylidene)ethyl acetate",CC(=O)OC\\C=C/1\\CCCC(C)(C)C1,CC(=O)OC\C=C/1\CCCC(C)(C)C1,"InChI=1/C12H20O2/c1-10(13)14-8-6-11-5-4-7-12(2,3)9-11/h6H,4-5,7-9H2,1-3H3",C12H20O2,,,,,,VETKXRAMNAWPAN-WDZFZDKYSA-N,,,,,,,,,,,
100.098.306,308-188-9,97890-09-0,"1,1-diethoxy-7-methoxy-3,7-dimethyloctane","1,1-diethoxy-7-methoxy-3,7-dimethyloctane",CCOC(CC(C)CCCC(C)(C)OC)OCC,CCOC(CC(C)CCCC(C)(C)OC)OCC,"InChI=1/C15H32O3/c1-7-17-14(18-8-2)12-13(3)10-9-11-15(4,5)16-6/h13-14H,7-12H2,1-6H3",C15H32O3,,,,,,COYJTQAUBRDBJL-UHFFFAOYSA-N,,,,,,,,,,,
100.098.313,308-196-2,97890-16-9,"Bis(oxiranylmethyl) 3,4,5,6-tetrachlorocyclohexene-1,2-dicarboxylate","bis(oxiran-2-ylmethyl) 3,4,5,6-tetrachlorocyclohex-1-ene-1,2-dicarboxylate",ClC1C(Cl)C(Cl)C(=C(C1Cl)C(=O)OCC2CO2)C(=O)OCC3CO3,ClC1C(Cl)C(Cl)C(=C(C1Cl)C(=O)OCC2CO2)C(=O)OCC3CO3,"InChI=1/C14H14Cl4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6,9-12H,1-4H2",C14H14Cl4O6,,,,,,HRRTVPCKXPJNNB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.245,303-716-4,94213-15-7,N-[(1-methylpropoxy)methyl]acrylamide,N-(sec-butoxymethyl)acrylamide,CCC(C)OCNC(=O)C=C,CCC(C)OCNC(=O)C=C,"InChI=1/C8H15NO2/c1-4-7(3)11-6-9-8(10)5-2/h5,7H,2,4,6H2,1,3H3,(H,9,10)",C8H15NO2,,,,,,HZHFGXGWJSRSHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.377,303-861-3,94231-44-4,2-methyl-5-oxocyclopent-1-en-1-yl phenylacetate,2-methyl-5-oxocyclopent-1-en-1-yl phenylacetate,CC1=C(OC(=O)Cc2ccccc2)C(=O)CC1,CC1=C(OC(=O)Cc2ccccc2)C(=O)CC1,"InChI=1/C14H14O3/c1-10-7-8-12(15)14(10)17-13(16)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3",C14H14O3,,,,,,NDZKPFBZWOSZAG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.388,303-873-9,94231-55-7,"6,6-dimethyl-a-propylbicyclo[3.1.1]heptane-2-propanol","1-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)hexan-3-ol",CCCC(O)CCC1CCC2CC1C2(C)C,CCCC(O)CCC1CCC2CC1C2(C)C,"InChI=1/C15H28O/c1-4-5-13(16)9-7-11-6-8-12-10-14(11)15(12,2)3/h11-14,16H,4-10H2,1-3H3",C15H28O,,,,,,KHBHMJKIAFOZKG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.394,303-880-7,94231-61-5,Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate,potassium 3-(1H-benzimidazol-2-ylsulfanyl)propane-1-sulfonate,[K+].[O-]S(=O)(=O)CCCSc1nc2ccccc2[nH]1,[K+].[O-]S(=O)(=O)CCCSc1nc2ccccc2[nH]1,"InChI=1/C10H12N2O3S2.K/c13-17(14,15)7-3-6-16-10-11-8-4-1-2-5-9(8)12-10;/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14,15);/q;+1/p-1",C10H12N2O3S2.K,,,,,,UYHSNMZVVUTYKU-UHFFFAOYSA-M,,,,,,,,,,,
100.094.396,303-882-8,94231-63-7,Potassium 3-(allyloxy)propanesulphonate,potassium 3-(allyloxy)propane-1-sulfonate,[K+].[O-]S(=O)(=O)CCCOCC=C,[K+].[O-]S(=O)(=O)CCCOCC=C,"InChI=1/C6H12O4S.K/c1-2-4-10-5-3-6-11(7,8)9;/h2H,1,3-6H2,(H,7,8,9);/q;+1/p-1",C6H12O4S.K,,,,,,VHFYFKHKGFFLTE-UHFFFAOYSA-M,,,,,,,,,,,
100.094.400,303-887-5,94231-67-1,6-(benzoylmethylamino)hexanoic acid,6-[benzoyl(methyl)amino]hexanoic acid,CN(CCCCCC(=O)O)C(=O)c1ccccc1,CN(CCCCCC(=O)O)C(=O)c1ccccc1,"InChI=1/C14H19NO3/c1-15(11-7-3-6-10-13(16)17)14(18)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,17)",C14H19NO3,,,,,,CXANSQSOXRVOKL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.403,303-890-1,94231-70-6,4-(ethylsulphonyl)benzhydryl alcohol,[4-(ethylsulfonyl)phenyl](phenyl)methanol,CCS(=O)(=O)c1ccc(cc1)C(O)c2ccccc2,CCS(=O)(=O)c1ccc(cc1)C(O)c2ccccc2,"InChI=1/C15H16O3S/c1-2-19(17,18)14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12/h3-11,15-16H,2H2,1H3",C15H16O3S,,,,,,ABOZFWQFQKINJF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.406,303-893-8,94231-73-9,N-[[1-(2-cyclohexylideneethyl)-2-pyrrolidinyl]methyl]acetamide,N-{[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl}acetamide,CC(=O)NCC1CCCN1CC=C2CCCCC2,CC(=O)NCC1CCCN1CC=C2CCCCC2,"InChI=1/C15H26N2O/c1-13(18)16-12-15-8-5-10-17(15)11-9-14-6-3-2-4-7-14/h9,15H,2-8,10-12H2,1H3,(H,16,18)",C15H26N2O,,,,,,UUHGJCCGHYMHLO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.416,303-905-1,94231-83-1,Methyl [7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate,methyl {7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]-1-naphthyl}carbamate,Oc3ccc(cc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)[N+]([O-])=O,Oc3ccc(cc3N=Nc1c2c(NC(=O)OC)cccc2ccc1O)[N+]([O-])=O,"InChI=1/C18H14N4O6/c1-28-18(25)19-12-4-2-3-10-5-7-15(24)17(16(10)12)21-20-13-9-11(22(26)27)6-8-14(13)23/h2-9,23-24H,1H3,(H,19,25)",C18H14N4O6,,,,,,RWODFOSCGOFTKK-UHFFFAOYSA-N,,,,,,,,,,,
100.094.426,303-916-1,94231-93-3,"2-methyldodecane-4,6-dione","2-methyldodecane-4,6-dione",CCCCCCC(=O)CC(=O)CC(C)C,CCCCCCC(=O)CC(=O)CC(C)C,"InChI=1/C13H24O2/c1-4-5-6-7-8-12(14)10-13(15)9-11(2)3/h11H,4-10H2,1-3H3",C13H24O2,,,,,,PHVJAYGOLQGSCN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.428,303-918-2,94231-95-5,[bis(3-methylbutoxy)methyl]benzene,[bis(3-methylbutoxy)methyl]benzene,CC(C)CCOC(OCCC(C)C)c1ccccc1,CC(C)CCOC(OCCC(C)C)c1ccccc1,"InChI=1/C17H28O2/c1-14(2)10-12-18-17(19-13-11-15(3)4)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3",C17H28O2,,,,,,TVAMBUYNQKUINU-UHFFFAOYSA-N,,,,,,,,,,,
100.094.431,303-921-9,94231-98-8,"4,5-dihydro-2-methyl-1H-imidazolium dihydrogen phosphate","2-methyl-4,5-dihydro-1H-imidazol-1-ium dihydrogen phosphate",CC1=NCC[NH2+]1.[O-]P(=O)([O-])[O-],CC1=NCC[NH2+]1.[O-]P(=O)([O-])[O-],"InChI=1/C4H8N2.H3O4P/c1-4-5-2-3-6-4;1-5(2,3)4/h2-3H2,1H3,(H,5,6);(H3,1,2,3,4)/p-2",C4H8N2.H3O4P,,,,,,BEBGBRDHMSRIJO-UHFFFAOYSA-L,,,,,,,,,,,
100.094.458,303-951-2,94232-25-4,"Disodium 1-[[4-[[(6-methoxypyridazin-3-yl)amino]sulphonyl]phenyl]amino]-3-phenylpropane-1,3-disulphonate","disodium 1-({4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl}amino)-3-phenylpropane-1,3-disulfonate",[Na+].[Na+].COc1ccc(NS(=O)(=O)c2ccc(NC(CC(c3ccccc3)S(=O)(=O)[O-])S(=O)(=O)[O-])cc2)nn1,[Na+].[Na+].COc1ccc(NS(=O)(=O)c2ccc(NC(CC(c3ccccc3)S(=O)(=O)[O-])S(=O)(=O)[O-])cc2)nn1,"InChI=1/C20H22N4O9S3.2Na/c1-33-19-12-11-18(22-23-19)24-34(25,26)16-9-7-15(8-10-16)21-20(36(30,31)32)13-17(35(27,28)29)14-5-3-2-4-6-14;;/h2-12,17,20-21H,13H2,1H3,(H,22,24)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",C20H22N4O9S3.2Na,,,,,,LOYSPXFLDAFBJN-UHFFFAOYSA-L,,,,,,,,,,,
100.098.316,308-199-9,97890-19-2,"Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate","bis(oxiran-2-ylmethyl) 3,4,5,6-tetrabromocyclohex-1-ene-1,2-dicarboxylate",BrC1C(Br)C(Br)C(=C(C1Br)C(=O)OCC2CO2)C(=O)OCC3CO3,BrC1C(Br)C(Br)C(=C(C1Br)C(=O)OCC2CO2)C(=O)OCC3CO3,"InChI=1/C14H14Br4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6,9-12H,1-4H2",C14H14Br4O6,,,,,,UGYFFARIZMXOAC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.596,306-306-3,96846-71-8,"Dipotassium 4,4'-bis[(4-methoxyphenyl)azo]stilbene-2,2'-disulphonate","dipotassium 2,2'-ethene-1,2-diylbis{5-[(4-methoxyphenyl)diazenyl]benzenesulfonate}",[K+].[K+].COc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(OC)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,[K+].[K+].COc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(OC)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4,"InChI=1/C28H24N4O8S2.2K/c1-39-25-13-9-21(10-14-25)29-31-23-7-5-19(27(17-23)41(33,34)35)3-4-20-6-8-24(18-28(20)42(36,37)38)32-30-22-11-15-26(40-2)16-12-22;;/h3-18H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",C28H24N4O8S2.2K,,,,,,JSLYSSPOBIJAJL-ZCKCZGSLSA-L,,,,,,,,,,,
100.096.597,306-307-9,96846-72-9,"1,1,5-trimethylheptyl isovalerate","1,1,5-trimethylheptyl 3-methylbutanoate",CCC(C)CCCC(C)(C)OC(=O)CC(C)C,CCC(C)CCCC(C)(C)OC(=O)CC(C)C,"InChI=1/C15H30O2/c1-7-13(4)9-8-10-15(5,6)17-14(16)11-12(2)3/h12-13H,7-11H2,1-6H3",C15H30O2,,,,,,ZUDNDYNFMGZVBR-UHFFFAOYSA-N,,,,,,,,,,,
100.096.598,306-308-4,96846-73-0,"1,1,5-trimethylheptyl valerate","1,1,5-trimethylheptyl valerate",CCCCC(=O)OC(C)(C)CCCC(C)CC,CCCCC(=O)OC(C)(C)CCCC(C)CC,"InChI=1/C15H30O2/c1-6-8-11-14(16)17-15(4,5)12-9-10-13(3)7-2/h13H,6-12H2,1-5H3",C15H30O2,,,,,,KAEMAFWFBDAUAP-UHFFFAOYSA-N,,,,,,,,,,,
100.096.612,306-324-1,97043-74-8,"N,N-dibutyl-2-chloro-4-nitroaniline","N,N-dibutyl-2-chloro-4-nitroaniline",CCCCN(CCCC)c1ccc(cc1Cl)[N+](=O)[O-],CCCCN(CCCC)c1ccc(cc1Cl)[N+](=O)[O-],"InChI=1/C14H21ClN2O2/c1-3-5-9-16(10-6-4-2)14-8-7-12(17(18)19)11-13(14)15/h7-8,11H,3-6,9-10H2,1-2H3",C14H21ClN2O2,,,,,,QMRCMQGZXWYYIP-UHFFFAOYSA-N,,,,,,,,,,,
100.094.677,304-191-4,94247-15-1,Nonyl formate,nonyl formate,CCCCCCCCCOC=O,CCCCCCCCCOC=O,"InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-12-10-11/h10H,2-9H2,1H3",C10H20O2,,,,,,MOGJOLMSQWGXPA-UHFFFAOYSA-N,,,,,,,,,,,
100.098.162,308-029-3,97861-82-0,10-undecenyl 4-hydroxybenzoate,undec-10-en-1-yl 4-hydroxybenzoate,Oc1ccc(cc1)C(=O)OCCCCCCCCCC=C,Oc1ccc(cc1)C(=O)OCCCCCCCCCC=C,"InChI=1/C18H26O3/c1-2-3-4-5-6-7-8-9-10-15-21-18(20)16-11-13-17(19)14-12-16/h2,11-14,19H,1,3-10,15H2",C18H26O3,,,,,,SBWNIDJZZHJWOD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.701,304-217-4,94247-41-3,"Dihexadecenyl 3,3'-thiobispropionate","dihexadec-1-en-1-yl 3,3'-sulfanediyldipropanoate",O=C(CCSCCC(=O)OC=CCCCCCCCCCCCCCC)OC=CCCCCCCCCCCCCCC,O=C(CCSCCC(=O)OC=CCCCCCCCCCCCCCC)OC=CCCCCCCCCCCCCCC,"InChI=1/C38H70O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41-37(39)31-35-43-36-32-38(40)42-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28,31-32,35-36H2,1-2H3",C38H70O4S,,,,,,UXCVPGNVCHISFE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.706,304-223-7,94247-51-5,4-benzyl hydrogen 2-dodecenylsuccinate,2-[2-(benzyloxy)-2-oxoethyl]tetradec-4-enoate,[O-]C(=O)C(CC=CCCCCCCCCC)CC(=O)OCc1ccccc1,[O-]C(=O)C(CC=CCCCCCCCCC)CC(=O)OCc1ccccc1,"InChI=1/C23H34O4/c1-2-3-4-5-6-7-8-9-10-14-17-21(23(25)26)18-22(24)27-19-20-15-12-11-13-16-20/h10-16,21H,2-9,17-19H2,1H3,(H,25,26)/p-1",C23H34O4,,,,,,DTZCEDKZDHFJOH-UHFFFAOYSA-M,,,,,,,,,,,
100.094.708,304-225-8,94247-55-9,4-(3-methylcyclohexyl) hydrogen 2-octadecenylsuccinate,2-{2-[(3-methylcyclohexyl)oxy]-2-oxoethyl}icos-4-enoate,O=C(OC1CC(C)CCC1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,O=C(OC1CC(C)CCC1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(29(31)32)24-28(30)33-27-22-19-20-25(2)23-27/h17-18,25-27H,3-16,19-24H2,1-2H3,(H,31,32)/p-1",C29H52O4,,,,,,GTHLUNAAZNFADC-UHFFFAOYSA-M,,,,,,,,,,,
100.094.710,304-227-9,94247-59-3,"4-(3,3,5-trimethylcyclohexyl) hydrogen 2-octadecenylsuccinate","2-{2-oxo-2-[(3,3,5-trimethylcyclohexyl)oxy]ethyl}icos-4-enoate",O=C(OC1CC(C)CC(C)(C)C1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,O=C(OC1CC(C)CC(C)(C)C1)CC(CC=CCCCCCCCCCCCCCCC)C([O-])=O,"InChI=1/C31H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30(33)34)23-29(32)35-28-22-26(2)24-31(3,4)25-28/h19-20,26-28H,5-18,21-25H2,1-4H3,(H,33,34)/p-1",C31H56O4,,,,,,FCTHZVMNDWBLEO-UHFFFAOYSA-M,,,,,,,,,,,
100.094.721,304-239-4,94247-70-8,Sodium 2-(phenylmethyl)naphthalenesulphonate,sodium 2-benzylnaphthalene-1-sulfonate,[Na+].[O-]S(=O)(=O)c1c(Cc2ccccc2)ccc3ccccc13,[Na+].[O-]S(=O)(=O)c1c(Cc2ccccc2)ccc3ccccc13,"InChI=1/C17H14O3S.Na/c18-21(19,20)17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17;/h1-11H,12H2,(H,18,19,20);/q;+1/p-1",C17H14O3S.Na,,,,,,CMEJNMBQFJCFIM-UHFFFAOYSA-M,,,,,,,,,,,
100.100.050,310-130-2,36698-20-1,"1H-imidazole, 1-(1,1-diphenyl-2-propynyl)-","1-(1,1-diphenylprop-2-yn-1-yl)-1H-imidazole",C#CC(c1ccccc1)(c2ccccc2)n3ccnc3,C#CC(c1ccccc1)(c2ccccc2)n3ccnc3,"InChI=1/C18H14N2/c1-2-18(20-14-13-19-15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-15H",C18H14N2,,,,,,MTXDFCPHZOIELM-UHFFFAOYSA-N,,,,,,,,,,,
100.100.061,310-142-8,94134-94-8,"3-Pyrrolidinol, 5-methyl-",5-methylpyrrolidin-3-ol,CC1CC(O)CN1,CC1CC(O)CN1,"InChI=1/C5H11NO/c1-4-2-5(7)3-6-4/h4-7H,2-3H2,1H3",C5H11NO,,,,,,AGTDSFXRPBMMGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.460,303-953-3,94232-27-6,"L-aspartic acid, compound with 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (1:1)","L-aspartic acid - 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine (1:1)",COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.N[C@@H](CC(=O)O)C(=O)O,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.N[C@@H](CC(=O)O)C(=O)O,"InChI=1/C14H18N4O3.C4H7NO4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;5-2(4(8)9)1-3(6)7/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2H,1,5H2,(H,6,7)(H,8,9)",C14H18N4O3.C4H7NO4,,,,,,UIYDNHVEDFNQND-WNQIDUERSA-N,,,,,,,,,,,
100.094.467,303-961-7,94232-34-5,3-amino-4-hydroxybenzenesulphonamide sulphate,3-amino-4-hydroxybenzenesulfonamide sulfate (salt),Nc1cc(ccc1O)S(=O)(=O)N.OS(=O)(=O)O,Nc1cc(ccc1O)S(=O)(=O)N.OS(=O)(=O)O,"InChI=1/C6H8N2O3S.H2O4S/c7-5-3-4(12(8,10)11)1-2-6(5)9;1-5(2,3)4/h1-3,9H,7H2,(H2,8,10,11);(H2,1,2,3,4)",C6H8N2O3S.H2O4S,,,,,,FDFVKOFBWUBJRO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.468,303-962-2,94232-35-6,[5-chloro-2-hydroxyphenyl]ammonium hydrogen sulphate,5-chloro-2-hydroxyanilinium hydrogen sulfate,[NH3+]c1cc(Cl)ccc1O.[O-]S(=O)(=O)[O-],[NH3+]c1cc(Cl)ccc1O.[O-]S(=O)(=O)[O-],"InChI=1/C6H6ClNO.H2O4S/c7-4-1-2-6(9)5(8)3-4;1-5(2,3)4/h1-3,9H,8H2;(H2,1,2,3,4)/p-1",C6H6ClNO.H2O4S,,,,,,DQYFJVQIKUDHGV-UHFFFAOYSA-M,,,,,,,,,,,
100.094.471,303-965-9,94232-38-9,Ammonium trigold(1+) disulphite,ammonium trigold(1+) disulphite,[NH4+].[Au+].[Au+].[Au+].[O-]S(=O)[O-].[O-]S(=O)[O-],[NH4+].[Au+].[Au+].[Au+].[O-]S(=O)[O-].[O-]S(=O)[O-],"InChI=1/3Au.H3N.2H2O3S/c;;;;2*1-4(2)3/h;;;1H3;2*(H2,1,2,3)/q3*+1;;;/p-3",Au.1/3H3N.2/3H2O3S,,,,,,OAQZGDLJWFXRAU-UHFFFAOYSA-K,,,,,,,,,,,
100.094.474,303-969-0,94232-41-4,"6-[[4-(diethylamino)-2-methoxyphenyl]azo]-3-methoxy-1-methylpyridazinium chloride, compound with zinc chloride","6-[[4-(diethylamino)-2-methoxyphenyl]azo]-3-methoxy-1-methylpyridazinium chloride, compound with zinc chloride",[Zn+2].[Cl-].[Cl-].[Cl-].COc2ccc(N=Nc1ccc(cc1OC)N(CC)CC)[n+](C)n2,[Zn+2].[Cl-].[Cl-].[Cl-].COc2ccc(N=Nc1ccc(cc1OC)N(CC)CC)[n+](C)n2,"InChI=1/C17H24N5O2.3ClH.Zn/c1-6-22(7-2)13-8-9-14(15(12-13)23-4)18-19-16-10-11-17(24-5)20-21(16)3;;;;/h8-12H,6-7H2,1-5H3;3*1H;/q+1;;;;+2/p-3",C17H24N5O2.xCl2Zn.Cl,,,,,,HMYNEAXBLRZOAU-UHFFFAOYSA-K,,,,,,,,,,,
100.065.110,271-642-9,68603-15-6,"Alcohols, C6-12",octan-1-ol,CCCCCCCCO,CCCCCCCCO,"InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",-,,,,,,KBPLFHHGFOOTCA-UHFFFAOYSA-N,,,,,,,,,,,
100.063.723,270-117-1,68411-32-5,"Benzenesulfonic acid, dodecyl-, branched",4-(7-ethyldecyl)benzenesulfonic acid,CCCC(CC)CCCCCCc1ccc(cc1)S(=O)(=O)O,CCCC(CC)CCCCCCc1ccc(cc1)S(=O)(=O)O,"InChI=1/C18H30O3S/c1-3-9-16(4-2)10-7-5-6-8-11-17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",-,,,,,,SXWJDOBQKMUGSE-UHFFFAOYSA-N,,,,,,,,,,,
100.065.033,271-557-7,68585-47-7,"Sulfuric acid, mono-C10-16-alkyl esters, sodium salts",sodium tetradecyl sulfate,[Na+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],[Na+].CCCCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",-,,,,,,UPUIQOIQVMNQAP-UHFFFAOYSA-M,,,,,,,,,,,
100.061.873,268-080-1,68002-66-4,"Nitriles, C14-18",palmitonitrile,CCCCCCCCCCCCCCCC#N,CCCCCCCCCCCCCCCC#N,"InChI=1/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3",-,,,,,,WGXGAUQEMYSVJM-UHFFFAOYSA-N,,,,,,,,,,,
100.060.830,266-933-2,67701-09-1,"Fatty acids, C8-18 and C18-unsatd., potassium salts",potassium laurate,[K+].CCCCCCCCCCCC(=O)[O-],[K+].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1",-,,,,,,HIDKSOTTZRMUML-UHFFFAOYSA-M,,,,,,,,,,,
100.059.261,265-207-2,64743-02-8,"Alkenes, C>10 a-",heptadec-1-ene,CCCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCCC=C,"InChI=1/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3",-,,,,,,ADOBXTDBFNCOBN-UHFFFAOYSA-N,,,,,,,,,,,
100.060.899,267-009-1,67762-30-5,"Alcohols, C14-18",hexadecan-1-ol,CCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCO,"InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",-,,,,,,BXWNKGSJHAJOGX-UHFFFAOYSA-N,,,,,,,,,,,
100.060.907,267-018-0,67762-40-7,"Fatty acids, C10-16, Me esters",methyl myristate,CCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCC(=O)OC,"InChI=1/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3",-,,,,,,ZAZKJZBWRNNLDS-UHFFFAOYSA-N,,,,,,,,,,,
100.100.072,310-154-3,121158-58-5,"Phenol, dodecyl-, branched","4-(3,4,5-trimethylheptyl)phenol",CCC(C)C(C)C(C)CCc1ccc(O)cc1,CCC(C)C(C)C(C)CCc1ccc(O)cc1,"InChI=1/C16H26O/c1-5-12(2)14(4)13(3)6-7-15-8-10-16(17)11-9-15/h8-14,17H,5-7H2,1-4H3",-,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14705,https://echa.europa.eu/substance-information/-/substanceinfo/100.100.072,AOOKHLGAVNECET-UHFFFAOYSA-N,,,,,,,,,,,
100.094.745,304-266-1,94247-96-8,"Pentadecachloro-29H,31H-phthalocyanine","1,2,3,4,8,9,10,11,15,16,17,18,22,23,24-pentadecachlorophthalocyanine",Clc1cc2C3=NC(=NC4=NC(=NC5=NC(=NC6=NC(=N3)c7c(Cl)c(Cl)c(Cl)c(Cl)c67)c8c(Cl)c(Cl)c(Cl)c(Cl)c58)c9c(Cl)c(Cl)c(Cl)c(Cl)c49)c2c(Cl)c1Cl,Clc1cc2C3=NC(=NC4=NC(=NC5=NC(=NC6=NC(=N3)c7c(Cl)c(Cl)c(Cl)c(Cl)c67)c8c(Cl)c(Cl)c(Cl)c(Cl)c58)c9c(Cl)c(Cl)c(Cl)c(Cl)c49)c2c(Cl)c1Cl,InChI=1/C32HCl15N8/c33-3-1-2-4(12(35)11(3)34)26-48-25(2)49-27-5-6(14(37)20(43)19(42)13(5)36)29(51-27)53-31-9-10(18(41)24(47)23(46)17(9)40)32(55-31)54-30-8-7(28(50-26)52-30)15(38)21(44)22(45)16(8)39/h1H,C32H3Cl15N8,,,,,,RNTYGPBHFCYSCT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.747,304-268-2,94247-98-0,"2-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)benzothiazolesulphonic acid","2-(3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2,3-dihydro-1,3-benzothiazole-2-sulfonic acid",CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2(Nc3ccccc3S2)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2(Nc3ccccc3S2)S(=O)(=O)O,"InChI=1/C27H43N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-22-26(31)30(29-23)27(36(32,33)34)28-24-20-17-18-21-25(24)35-27/h17-18,20-21,28H,2-16,19,22H2,1H3,(H,32,33,34)",C27H41N3O4S2,,,,,,RXBHAYGECQKZPL-UHFFFAOYSA-N,,,,,,,,,,,
100.098.227,308-101-4,97862-54-9,"Hexanoic acid, 2-ethyl-, 38-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacont-1-yl ester","38-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacont-1-yl 2-ethylhexanoate",CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1/C34H68O15/c1-3-5-6-33(4-2)34(36)49-32-31-48-30-29-47-28-27-46-26-25-45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-10-9-37-8-7-35/h33,35H,3-32H2,1-2H3",-,,,,,,MQKARDMXRPKLSF-UHFFFAOYSA-N,,,,,,,,,,,
100.100.110,310-196-2,5737-31-5,"1,3-bis(4-cyanophenyl)propane","4,4'-propane-1,3-diyldibenzonitrile",N#Cc1ccc(CCCc2ccc(cc2)C#N)cc1,N#Cc1ccc(CCCc2ccc(cc2)C#N)cc1,"InChI=1/C17H14N2/c18-12-16-8-4-14(5-9-16)2-1-3-15-6-10-17(13-19)11-7-15/h4-11H,1-3H2",C17H14N2,,,,,,WHOHOGUGUORXFY-UHFFFAOYSA-N,,,,,,,,,,,
100.100.111,310-197-8,21645-07-8,Diphenyl pentylphosphonate,diphenyl pentylphosphonate,CCCCCP(=O)(Oc1ccccc1)Oc2ccccc2,CCCCCP(=O)(Oc1ccccc1)Oc2ccccc2,"InChI=1/C17H21O3P/c1-2-3-10-15-21(18,19-16-11-6-4-7-12-16)20-17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3",C17H21O3P,,,,,,GRKDCROEGSBEOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.100.113,310-199-9,23354-43-0,"4H-1,2,4-Triazolium, 5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-, methyl sulfate","5-{[4-(dimethylamino)phenyl]diazenyl}-1,4-dimethyl-4H-1,2,4-triazol-1-ium methyl sulfate",Cn2cn[n+](C)c2N=Nc1ccc(cc1)N(C)C.[O-]S(=O)(=O)OC,Cn2cn[n+](C)c2N=Nc1ccc(cc1)N(C)C.[O-]S(=O)(=O)OC,"InChI=1/C12H17N6.CH4O4S/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-5-6(2,3)4/h5-9H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",-,,,,,,ZRVPOURSNDQODC-UHFFFAOYSA-M,,,,,,,,,,,
100.100.115,310-201-8,36443-15-9,"3-diazo-3,4-dihydro-4-oxonaphthalene-2-sulfonyl chloride","3-diazo-4-oxo-3,4-dihydronaphthalene-2-sulfonyl chloride",ClS(=O)(=O)C1=Cc2ccccc2C(=O)C1=[N+]=[N-],ClS(=O)(=O)C1=Cc2ccccc2C(=O)C1=[N+]=[N-],"InChI=1/C10H5ClN2O3S/c11-17(15,16)8-5-6-3-1-2-4-7(6)10(14)9(8)13-12/h1-5H",C10H5ClN2O3S,,,,,,GCTNRXMQYRFTNC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.753,303-174-9,94159-00-9,2-methylhexadecyl methacrylate,2-methylhexadecyl methacrylate,CCCCCCCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C21H40O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(4)18-23-21(22)19(2)3/h20H,2,5-18H2,1,3-4H3",C21H40O2,,,,,,MPKXOGMEJQQAAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.764,303-186-4,94159-11-2,"4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]benzenesulphonic acid","4-{[2,4-dihydroxy-3-(phenyldiazenyl)phenyl]diazenyl}benzenesulfonic acid",Oc2c(ccc(O)c2N=Nc1ccccc1)N=Nc3ccc(cc3)S(O)(=O)=O,Oc2c(ccc(O)c2N=Nc1ccccc1)N=Nc3ccc(cc3)S(O)(=O)=O,"InChI=1/C18H14N4O5S/c23-16-11-10-15(18(24)17(16)22-20-12-4-2-1-3-5-12)21-19-13-6-8-14(9-7-13)28(25,26)27/h1-11,23-24H,(H,25,26,27)",C18H14N4O5S,,,,,,FGFMVLRFODPHHN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.768,303-191-1,94159-15-6,1-methylundecyl methacrylate,1-methylundecyl methacrylate,CCCCCCCCCCC(C)OC(=O)C(=C)C,CCCCCCCCCCC(C)OC(=O)C(=C)C,"InChI=1/C16H30O2/c1-5-6-7-8-9-10-11-12-13-15(4)18-16(17)14(2)3/h15H,2,5-13H2,1,3-4H3",C16H30O2,,,,,,VLBQNOGWIOSMAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.770,303-193-2,94159-17-8,"Diphosphoric acid, compound with 1,3,5-triazine-2,4,6-triamine (1:4)","diphosphoric acid - 1,3,5-triazine-2,4,6-triamine (1:4)",Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.Nc3nc(N)nc(N)n3.Nc4nc(N)nc(N)n4.OP(=O)(O)OP(=O)(O)O,Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.Nc3nc(N)nc(N)n3.Nc4nc(N)nc(N)n4.OP(=O)(O)OP(=O)(O)O,"InChI=1/4C3H6N6.H4O7P2/c4*4-1-7-2(5)9-3(6)8-1;1-8(2,3)7-9(4,5)6/h4*(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)",C3H6N6.1/4H4O7P2,,,,,,UDDSMXIMOQWORT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.782,303-207-7,94159-29-2,(Z)-2-(3-hexenyloxy)-3-methylpyrazine,2-(hex-3-en-1-yloxy)-3-methylpyrazine,CC\\C=C/CCOc1nccnc1C,CC\C=C/CCOc1nccnc1C,"InChI=1/C11H16N2O/c1-3-4-5-6-9-14-11-10(2)12-7-8-13-11/h4-5,7-8H,3,6,9H2,1-2H3",C11H16N2O,,,,,,UORAVLUKRGBLPV-PLNGDYQASA-N,,,,,,,,,,,
100.060.909,267-020-1,67762-44-1,"Fatty acids, C6-12, sodium salts",sodium nonanoate,[Na+].CCCCCCCCC(=O)[O-],[Na+].CCCCCCCCC(=O)[O-],"InChI=1/C9H18O2.Na/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1",-,,,,,,LTOCMXUTASYUOC-UHFFFAOYSA-M,,,,,,,,,,,
100.017.823,219-604-2,2475-46-9,"9,10-anthracenedione, 1,4-diamino-, N,N'-mixed 2-hydroxyethyl and methyl derivatives","1-[(2-hydroxyethyl)amino]-4-(methylamino)-9,10-anthraquinone",CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C17H16N2O3/c1-18-12-6-7-13(19-8-9-20)15-14(12)16(21)10-4-2-3-5-11(10)17(15)22/h2-7,18-20H,8-9H2,1H3",-,,,,,,NLXFWUZKOOWWFD-UHFFFAOYSA-N,,,,,,,,,,,
100.066.600,273-281-2,68955-55-5,"Amines, C12-18-alkyldimethyl, N-oxides",dimethyl(pentadecyl)amine oxide,CCCCCCCCCCCCCCC[N+](C)(C)[O-],CCCCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17H2,1-3H3",-,,,,,,DLPZOAYAGDEIHC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.784,303-209-8,94159-31-6,2-(4-methylthiazol-5-yl)ethyl butyrate,"2-(4-methyl-1,3-thiazol-5-yl)ethyl butyrate",CCCC(=O)OCCc1scnc1C,CCCC(=O)OCCc1scnc1C,"InChI=1/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3",C10H15NO2S,,,,,,GDRZNYCKSKHESZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.791,303-217-1,94159-38-3,Ethylene bis(dibromoacetate),"ethane-1,2-diyl bis(dibromoacetate)",BrC(Br)C(=O)OCCOC(=O)C(Br)Br,BrC(Br)C(=O)OCCOC(=O)C(Br)Br,"InChI=1/C6H6Br4O4/c7-3(8)5(11)13-1-2-14-6(12)4(9)10/h3-4H,1-2H2",C6H6Br4O4,,,,,,ACQRIFFFFMCDGX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.787,304-312-0,94248-40-5,9H-fluorenecarbonitrile,9H-fluorene-1-carbonitrile,N#Cc1cccc2c1Cc3ccccc23,N#Cc1cccc2c1Cc3ccccc23,"InChI=1/C14H9N/c15-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7H,8H2",C14H9N,,,,,,WGOQTNXYTDSHRT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.789,304-314-1,94248-42-7,Dodecylpentadecyl methacrylate,1-dodecylpentadecyl methacrylate,CCCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C(=C)C,CCCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C(=C)C,"InChI=1/C31H60O2/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-30(33-31(32)29(3)4)27-25-23-21-19-16-14-12-10-8-6-2/h30H,3,5-28H2,1-2,4H3",C31H60O2,,,,,,JEBMFONDEFPKAD-UHFFFAOYSA-N,,,,,,,,,,,
100.094.792,304-317-8,94248-45-0,Lithium dimethylnaphthalenesulphonate,"lithium 2,3-dimethylnaphthalene-1-sulfonate",[Li+].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-],[Li+].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-],"InChI=1/C12H12O3S.Li/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1",C12H12O3S.Li,,,,,,QFFCDLDNLKIGFL-UHFFFAOYSA-M,,,,,,,,,,,
100.094.793,304-318-3,94248-46-1,Lithium dibutylnaphthalenesulphonate,"lithium 2,3-dibutylnaphthalene-1-sulfonate",[Li+].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-],[Li+].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-],"InChI=1/C18H24O3S.Li/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;+1/p-1",C18H24O3S.Li,,,,,,PQAXCGVQEFIFAR-UHFFFAOYSA-M,,,,,,,,,,,
100.094.795,304-320-4,94248-48-3,Lithium diisopropylnaphthalenesulphonate,"lithium 2,3-diisopropylnaphthalene-1-sulfonate",[Li+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-],[Li+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-],"InChI=1/C16H20O3S.Li/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);/q;+1/p-1",C16H20O3S.Li,,,,,,XPLODJXAXKKWOC-UHFFFAOYSA-M,,,,,,,,,,,
100.094.798,304-324-6,94248-51-8,"Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene","1,1'-[(1,2-dinitrocyclohexa-3,5-diene-1,3-diyl)bis(oxy)]bis(2,4,6-trinitrobenzene)",[O-][N+](=O)C1C(=CC=CC1(Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],[O-][N+](=O)C1C(=CC=CC1(Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C18H8N8O18/c27-19(28)8-4-10(21(31)32)15(11(5-8)22(33)34)43-14-2-1-3-18(26(41)42,17(14)25(39)40)44-16-12(23(35)36)6-9(20(29)30)7-13(16)24(37)38/h1-7,17H",C18H6N8O18,,,,,,UKKQNFVLLOXCOY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.799,304-325-1,94248-52-9,Calcium dichlorophthalate,calcium bis[2-(chlorocarbonyl)benzoate],[Ca+2].O=C(Cl)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C(Cl)=O,[Ca+2].O=C(Cl)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C(Cl)=O,"InChI=1/2C8H5ClO3.Ca/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;/h2*1-4H,(H,11,12);/q;;+2/p-2",C8H4Cl2O4.Ca,,,,,,CJPQSIRMFDFTSH-UHFFFAOYSA-L,,,,,,,,,,,
100.095.127,304-686-5,94278-00-9,Tetrapotassium [(butylimino)bis(methylene)]bisphosphonate,tetrapotassium [(butylimino)bis(methylene)]bis(phosphonate),[K+].[K+].[K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[K+].[K+].[K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C6H17NO6P2.4K/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4",C6H17NO6P2.4K,,,,,,CHYJCGCMZSHTCA-UHFFFAOYSA-J,,,,,,,,,,,
100.095.135,304-694-9,94278-08-7,2-tetradecyloctadecyl oleate,2-tetradecyloctadecyl octadec-9-enoate,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCC\\C=C/CCCCCCCC,CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1/C50H98O2/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50(51)52-48-49(45-42-39-36-33-30-24-21-18-15-12-9-6-3)46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,49H,4-24,26,28-48H2,1-3H3",C50H98O2,,,,,,GECHDLFVCIINSD-RFBIWTDZSA-N,,,,,,,,,,,
100.095.138,304-698-0,94278-11-2,Tetradecyl hydrogen glutarate,5-oxo-5-(tetradecyloxy)pentanoic acid,CCCCCCCCCCCCCCOC(=O)CCCC(=O)O,CCCCCCCCCCCCCCOC(=O)CCCC(=O)O,"InChI=1/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-19(22)16-14-15-18(20)21/h2-17H2,1H3,(H,20,21)",C19H36O4,,,,,,DZYGVFPSXZLOMT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.141,304-702-0,94278-14-5,"Sodium 4-chloro-3-[4-[[3-[[(2-ethylphenyl)amino]sulphonyl]-p-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-chloro-3-[4-({3-[(2-ethylphenyl)sulfamoyl]-4-methylphenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate",[Na+].CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=NC3C(\\C)=N/N(c2cc(ccc2Cl)S([O-])(=O)=O)C3=O,[Na+].CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=NC3C(\C)=N/N(c2cc(ccc2Cl)S([O-])(=O)=O)C3=O,"InChI=1/C25H24ClN5O6S2.Na/c1-4-17-7-5-6-8-21(17)30-38(33,34)23-13-18(10-9-15(23)2)27-28-24-16(3)29-31(25(24)32)22-14-19(39(35,36)37)11-12-20(22)26;/h5-14,24,30H,4H2,1-3H3,(H,35,36,37);/q;+1/p-1",C25H24ClN5O6S2.Na,,,,,,NSGYEWXPLHIUCR-UHFFFAOYSA-M,,,,,,,,,,,
100.095.143,304-704-1,94278-16-7,"2-[[(1-oxoheptyl)oxy]methyl]-2-[[(1-oxohexyl)oxy]methyl]propane-1,3-diyl dioctanoate","2-[(heptanoyloxy)methyl]-2-[(hexanoyloxy)methyl]propane-1,3-diyl dioctanoate",CCCCCCCC(=O)OCC(COC(=O)CCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCCC,CCCCCCCC(=O)OCC(COC(=O)CCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCCC,"InChI=1/C34H62O8/c1-5-9-13-16-20-24-32(37)41-28-34(26-39-30(35)22-18-12-8-4,27-40-31(36)23-19-15-11-7-3)29-42-33(38)25-21-17-14-10-6-2/h5-29H2,1-4H3",C34H62O8,,,,,,VPBRIDYBYLKMLY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.144,304-705-7,94278-17-8,"[6,11-dioxo-3-[[(1-oxooctyl)oxy]methyl]-1,5-dioxacycloundec-3-yl]methyl decanoate","{3-[(octanoyloxy)methyl]-6,11-dioxo-1,5-dioxacycloundecan-3-yl}methyl decanoate",CCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCC)COC(=O)CCCCC(=O)OC1,CCCCCCCCCC(=O)OCC1(COC(=O)CCCCCCC)COC(=O)CCCCC(=O)OC1,"InChI=1/C29H50O8/c1-3-5-7-9-10-12-14-18-26(31)35-22-29(21-34-25(30)17-13-11-8-6-4-2)23-36-27(32)19-15-16-20-28(33)37-24-29/h3-24H2,1-2H3",C29H50O8,,,,,,MWFQOKQLWIGWKN-UHFFFAOYSA-N,,,,,,,,,,,
100.095.146,304-707-8,94278-19-0,"2,2'-[propylidenebis(oxymethylene)]bisfuran","2,2'-[propane-1,1-diylbis(oxymethylene)]difuran",CCC(OCc1occc1)OCc2occc2,CCC(OCc1occc1)OCc2occc2,"InChI=1/C13H16O4/c1-2-13(16-9-11-5-3-7-14-11)17-10-12-6-4-8-15-12/h3-8,13H,2,9-10H2,1H3",C13H16O4,,,,,,PNQZBGJMILYPLO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.153,304-715-1,94278-26-9,Methyl 3-(furfurylthio)propionate,methyl 3-[(2-furylmethyl)sulfanyl]propanoate,COC(=O)CCSCc1occc1,COC(=O)CCSCc1occc1,"InChI=1/C9H12O3S/c1-11-9(10)4-6-13-7-8-3-2-5-12-8/h2-3,5H,4,6-7H2,1H3",C9H12O3S,,,,,,MXXNUXUTQGTBGJ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.156,304-718-8,94278-29-2,2-(5-methylhexyl)pyridine,2-(5-methylhexyl)pyridine,CC(C)CCCCc1ccccn1,CC(C)CCCCc1ccccn1,"InChI=1/C12H19N/c1-11(2)7-3-4-8-12-9-5-6-10-13-12/h5-6,9-11H,3-4,7-8H2,1-2H3",C12H19N,,,,,,WXZQNHOHMPCZGQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.162,304-725-6,94278-35-0,"7-methoxy-5,7-dimethyl-2,4-octadien-1-ol","7-methoxy-5,7-dimethylocta-2,4-dien-1-ol",COC(C)(C)CC(C)=CC=CCO,COC(C)(C)CC(C)=CC=CCO,"InChI=1/C11H20O2/c1-10(7-5-6-8-12)9-11(2,3)13-4/h5-7,12H,8-9H2,1-4H3",C11H20O2,,,,,,OISBPHGRISAQQI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.793,303-219-2,94159-40-7,"Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate","ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate",CCOC(=O)C(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,CCOC(=O)C(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,"InChI=1/C16H12Br4O4/c1-2-24-16(23)13(7-3-9(17)14(21)10(18)4-7)8-5-11(19)15(22)12(20)6-8/h3-6,13,21-22H,2H2,1H3",C16H12Br4O4,,,,,,XOOQSZKRNMZVKK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.797,303-223-4,94159-44-1,N-ethyl-4-(triphenylmethyl)aniline,N-ethyl-4-tritylaniline,CCNc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,CCNc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4,"InChI=1/C27H25N/c1-2-28-26-20-18-25(19-21-26)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21,28H,2H2,1H3",C27H25N,,,,,,KPVHNMPZJYOBCU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.799,303-226-0,94159-46-3,5-[[4-(dimethylamino)phenyl]methylene]-1-methylbarbituric acid,"5-[4-(dimethylamino)benzylidene]-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione",O=C2C(=Cc1ccc(cc1)N(C)C)C(=O)NC(=O)N2C,O=C2C(=Cc1ccc(cc1)N(C)C)C(=O)NC(=O)N2C,"InChI=1/C14H15N3O3/c1-16(2)10-6-4-9(5-7-10)8-11-12(18)15-14(20)17(3)13(11)19/h4-8H,1-3H3,(H,15,18,20)",C14H15N3O3,,,,,,GFUZHTMFTUBOPD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.800,303-227-6,94159-47-4,"(3a,5ß,7a,12ß)-3-(3-carboxy-1-oxopropoxy)-7,12-dihydroxycholan-24-oic acid","3-[(3-carboxypropanoyl)oxy]-7,12-dihydroxycholan-24-oic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C)OC(=O)CCC(=O)O,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C)OC(=O)CCC(=O)O,"InChI=1/C28H44O8/c1-15(4-7-23(31)32)18-5-6-19-26-20(14-22(30)28(18,19)3)27(2)11-10-17(12-16(27)13-21(26)29)36-25(35)9-8-24(33)34/h15-22,26,29-30H,4-14H2,1-3H3,(H,31,32)(H,33,34)",C28H44O8,,,,,,HCNXRYWFDFDKOR-LVLJDNOQSA-N,,,,,,,,,,,
100.093.817,303-245-4,94159-64-5,3-[tris(2-ethoxyethoxy)silyl]propylamine,3-[tris(2-ethoxyethoxy)silyl]propan-1-amine,CCOCCO[Si](CCCN)(OCCOCC)OCCOCC,CCOCCO[Si](CCCN)(OCCOCC)OCCOCC,"InChI=1/C15H35NO6Si/c1-4-17-9-12-20-23(15-7-8-16,21-13-10-18-5-2)22-14-11-19-6-3/h4-16H2,1-3H3",C15H35NO6Si,,,,,,XQLVCMHTXKWHJI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.818,303-247-5,94159-65-6,Ethoxypropoxymagnesium,magnesium ethanolate propan-1-olate,CCCO[Mg]OCC,CCCO[Mg]OCC,"InChI=1/C3H7O.C2H5O.Mg/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2/rC5H12MgO2/c1-3-5-8-6-7-4-2/h3-5H2,1-2H3",C5H12MgO2,,,,,,CCLBJCVPJCHEQD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.820,303-249-6,94159-69-0,Bis(2-hydroxyethyl)methyl-3-sulphopropylammonium hydroxide,"N,N-bis(2-hydroxyethyl)-N-methyl-3-sulfopropan-1-aminium hydroxide",[OH-].C[N+](CCO)(CCO)CCCS(=O)(=O)O,[OH-].C[N+](CCO)(CCO)CCCS(=O)(=O)O,"InChI=1/C8H19NO5S.H2O/c1-9(4-6-10,5-7-11)3-2-8-15(12,13)14;/h10-11H,2-8H2,1H3;1H2",C8H19NO5S,,,,,,YXCGZZODWKDHOI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.825,303-254-3,94159-74-7,"Ammonium 2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)azo]benzenesulphonate","ammonium 2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)diazenyl]benzenesulfonate",[NH4+].Oc2ccc(cc2N=Nc1cc(c(N)cc1N)S([O-])(=O)=O)[N+]([O-])=O,[NH4+].Oc2ccc(cc2N=Nc1cc(c(N)cc1N)S([O-])(=O)=O)[N+]([O-])=O,"InChI=1/C12H11N5O6S.H3N/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-5,18H,13-14H2,(H,21,22,23);1H3",C12H11N5O6S.H3N,,,,,,FIUJPXQKUDIKOG-UHFFFAOYSA-N,,,,,,,,,,,
100.094.832,304-361-8,94248-86-9,Dodecyl[[(2-ethylhexyl)oxy]methyl]dimethylammonium chloride,"N-{[(2-ethylhexyl)oxy]methyl}-N,N-dimethyldodecan-1-aminium chloride",[Cl-].CCCCCCCCCCCC[N+](C)(C)COCC(CC)CCCC,[Cl-].CCCCCCCCCCCC[N+](C)(C)COCC(CC)CCCC,"InChI=1/C23H50NO.ClH/c1-6-9-11-12-13-14-15-16-17-18-20-24(4,5)22-25-21-23(8-3)19-10-7-2;/h23H,6-22H2,1-5H3;1H/q+1;/p-1",C23H50NO.Cl,,,,,,KWAAQPHEUNGUOG-UHFFFAOYSA-M,,,,,,,,,,,
100.094.849,304-380-1,94249-03-3,"2,2'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis[N-(4-chlorophenyl)-3-oxobutyramide]","2,2'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis[N-(4-chlorophenyl)-3-oxobutanamide]",Clc4ccc(NC(=O)C(N=Nc1ccc(cc1)c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(Cl)cc2)cc3)C(C)=O)cc4,Clc4ccc(NC(=O)C(N=Nc1ccc(cc1)c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(Cl)cc2)cc3)C(C)=O)cc4,"InChI=1/C32H26Cl2N6O4/c1-19(41)29(31(43)35-25-15-7-23(33)8-16-25)39-37-27-11-3-21(4-12-27)22-5-13-28(14-6-22)38-40-30(20(2)42)32(44)36-26-17-9-24(34)10-18-26/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)",C32H26Cl2N6O4,,,,,,UPSAJZSSQKUOAT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.167,304-730-3,94278-40-7,But-2-enyl 2-methylbutyrate,but-2-en-1-yl 2-methylbutanoate,CC=CCOC(=O)C(C)CC,CC=CCOC(=O)C(C)CC,"InChI=1/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h4,6,8H,5,7H2,1-3H3",C9H16O2,,,,,,ODIRHDSCHYCWHY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.168,304-731-9,94278-41-8,"5-(tert-butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one","5-tert-butyl-2-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-one",CC1CC2=C(CCC(C2)C(C)(C)C)C1=O,CC1CC2=C(CCC(C2)C(C)(C)C)C1=O,"InChI=1/C14H22O/c1-9-7-10-8-11(14(2,3)4)5-6-12(10)13(9)15/h9,11H,5-8H2,1-4H3",C14H22O,,,,,,WMCWNNBGYNWSMY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.171,304-735-0,94278-44-1,"8-(1,1-dimethylethyl)-3-methyl-1-oxaspiro[4.5]decane",8-tert-butyl-3-methyl-1-oxaspiro[4.5]decane,CC1COC2(CCC(CC2)C(C)(C)C)C1,CC1COC2(CCC(CC2)C(C)(C)C)C1,"InChI=1/C14H26O/c1-11-9-14(15-10-11)7-5-12(6-8-14)13(2,3)4/h11-12H,5-10H2,1-4H3",C14H26O,,,,,,FHNJABUFDVGIFH-UHFFFAOYSA-N,,,,,,,,,,,
100.095.173,304-737-1,94278-93-0,"6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)quinoline-3-carboxylic acid","7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",CCCCc1cc2C(=O)C(=CNc2cc1OCc3ccccc3)C(=O)O,CCCCc1cc2C(=O)C(=CNc2cc1OCc3ccccc3)C(=O)O,"InChI=1/C21H21NO4/c1-2-3-9-15-10-16-18(22-12-17(20(16)23)21(24)25)11-19(15)26-13-14-7-5-4-6-8-14/h4-8,10-12H,2-3,9,13H2,1H3,(H,22,23)(H,24,25)",C21H21NO4,,,,,,RJKIJUZPBRQEJU-UHFFFAOYSA-N,,,,,,,,,,,
100.095.176,304-740-8,94278-96-3,Potassium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate,potassium 2-{[2-(stearoyloxy)propanoyl]oxy}propanoate,[K+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],[K+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],"InChI=1/C24H44O6.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h20-21H,4-19H2,1-3H3,(H,26,27);/q;+1/p-1",C24H44O6.K,,,,,,GTNNCNWLWZLCGV-UHFFFAOYSA-M,,,,,,,,,,,
100.095.180,304-745-5,94279-00-2,"(9Z,12Z)-N-[3-[(3-aminopropyl)methylamino]propyl]octadeca-9,12-dien-1-amide","N-{3-[(3-aminopropyl)(methyl)amino]propyl}octadeca-9,12-dienamide",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)NCCCN(C)CCCN,CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCCN(C)CCCN,"InChI=1/C25H49N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(29)27-22-19-24-28(2)23-18-21-26/h7-8,10-11H,3-6,9,12-24,26H2,1-2H3,(H,27,29)",C25H49N3O,,,,,,WQRKORDUHFEZDN-NQLNTKRDSA-N,,,,,,,,,,,
100.095.184,304-749-7,94279-04-6,2-isobutoxycyclohexan-1-ol,2-isobutoxycyclohexanol,CC(C)COC1CCCCC1O,CC(C)COC1CCCCC1O,"InChI=1/C10H20O2/c1-8(2)7-12-10-6-4-3-5-9(10)11/h8-11H,3-7H2,1-2H3",C10H20O2,,,,,,QYNMQOJKJIUWRX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.830,303-260-6,94159-79-2,"1-[[3-(dimethylamino)propyl]amino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadecan-2-ol","1-{[3-(dimethylamino)propyl]amino}-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadecan-2-ol",CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C20H19F25N2O/c1-47(2)5-3-4-46-7-8(48)6-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h8,46,48H,3-7H2,1-2H3",C20H19F25N2O,,,,,,TXTCMAJARJFSCQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.831,303-261-1,94159-80-5,"1-[[3-(dimethylamino)propyl]amino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecan-2-ol","1-{[3-(dimethylamino)propyl]amino}-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecan-2-ol",CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C18H19F21N2O/c1-41(2)5-3-4-40-7-8(42)6-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h8,40,42H,3-7H2,1-2H3",C18H19F21N2O,,,,,,FYKFVLMDMBLILP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.833,303-263-2,94159-82-7,"1-[[3-(dimethylamino)propyl]amino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-14-(trifluoromethyl)pentadecan-2-ol","1-{[3-(dimethylamino)propyl]amino}-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-14-(trifluoromethyl)pentadecan-2-ol",CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CN(C)CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C21H19F27N2O/c1-50(2)5-3-4-49-7-8(51)6-9(22,23)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)18(39,40)16(35,36)14(31,32)12(27,28)10(24,20(43,44)45)21(46,47)48/h8,49,51H,3-7H2,1-2H3",C21H19F27N2O,,,,,,CPUGKTXAIBCJQS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.834,303-264-8,94159-83-8,"1-[[3-(dimethylamino)propyl]amino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-ol","1-{[3-(dimethylamino)propyl]amino}-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-ol",CN(C)CCCNC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,CN(C)CCCNC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H19F23N2O/c1-44(2)7-3-6-43-8(45)4-5-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42/h8,43,45H,3-7H2,1-2H3",C19H19F23N2O,,,,,,IBEWQQXACSADKT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.843,303-274-2,94159-92-9,"4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-1-phenoxy-10-(trifluoromethyl)undecan-2-ol","4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-1-phenoxy-10-(trifluoromethyl)undecan-2-ol",OC(COc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OC(COc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C18H11F19O2/c19-10(20,6-8(38)7-39-9-4-2-1-3-5-9)12(22,23)14(26,27)16(30,31)15(28,29)13(24,25)11(21,17(32,33)34)18(35,36)37/h1-5,8,38H,6-7H2",C18H11F19O2,,,,,,BVQDBQFRYDVCDL-UHFFFAOYSA-N,,,,,,,,,,,
100.093.846,303-277-9,94159-95-2,Sodium 3-[(8-amino-2-hydroxy-1-naphthyl)azo]-5-chloro-2-hydroxybenzenesulphonate,sodium 3-[(8-amino-2-hydroxy-1-naphthyl)diazenyl]-5-chloro-2-hydroxybenzenesulfonate,[Na+].Clc3cc(c(O)c(N=Nc1c2c(N)cccc2ccc1O)c3)S([O-])(=O)=O,[Na+].Clc3cc(c(O)c(N=Nc1c2c(N)cccc2ccc1O)c3)S([O-])(=O)=O,"InChI=1/C16H12ClN3O5S.Na/c17-9-6-11(16(22)13(7-9)26(23,24)25)19-20-15-12(21)5-4-8-2-1-3-10(18)14(8)15;/h1-7,21-22H,18H2,(H,23,24,25);/q;+1/p-1",C16H12ClN3O5S.Na,,,,,,YVVUVABCSJJVEP-UHFFFAOYSA-M,,,,,,,,,,,
100.093.847,303-278-4,94159-96-3,"2,2'-[1-(2-octadecenyl)ethane-1,2-diyl]bis-2-oxazoline-4,4-dimethanol","[icos-4-ene-1,2-diylbis(4,5-dihydro-1,3-oxazole-2,4,4-triyl)]tetramethanol",OCC1(CO)/N=C(\\OC1)C(CC/2=N/C(CO)(CO)CO\\2)CC=CCCCCCCCCCCCCCCC,OCC1(CO)/N=C(\OC1)C(CC/2=N/C(CO)(CO)CO\2)CC=CCCCCCCCCCCCCCCC,"InChI=1/C30H54N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(28-32-30(22-35,23-36)25-38-28)19-27-31-29(20-33,21-34)24-37-27/h16-17,26,33-36H,2-15,18-25H2,1H3",C30H54N2O6,,,,,,OZDQSQOKLPXYHF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.848,303-280-5,94159-97-4,"Bis[[2-heptadecyl-4,5-dihydro-4-[[(1-oxooctadecyl)oxy]methyl]oxazol-4-yl]methyl] adipate","bis({2-heptadecyl-4-[(stearoyloxy)methyl]-4,5-dihydro-1,3-oxazol-4-yl}methyl) adipate",CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)CCCCC(=O)OCC2(COC(=O)CCCCCCCCCCCCCCCCC)COC(=N2)CCCCCCCCCCCCCCCCC)COC(=N1)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(=O)CCCCC(=O)OCC2(COC(=O)CCCCCCCCCCCCCCCCC)COC(=N2)CCCCCCCCCCCCCCCCC)COC(=N1)CCCCCCCCCCCCCCCCC,"InChI=1/C86H160N2O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-67-79-87-85(73-93-79,75-95-81(89)69-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)77-97-83(91)71-65-66-72-84(92)98-78-86(76-96-82(90)70-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)74-94-80(88-86)68-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h5-78H2,1-4H3",C86H160N2O10,,,,,,GJQRJEZVPHWTFB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.850,303-282-6,94159-99-6,4-octadecylmorpholinium acetate,4-octadecylmorpholin-4-ium acetate,CCCCCCCCCCCCCCCCCC[NH+]1CCOCC1.CC(=O)[O-],CCCCCCCCCCCCCCCCCC[NH+]1CCOCC1.CC(=O)[O-],"InChI=1/C22H45NO.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23;1-2(3)4/h2-22H2,1H3;1H3,(H,3,4)",C22H45NO.C2H4O2,,,,,,VOZXKDVYRWKRHD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.857,303-289-4,94160-08-4,Tris(4-methoxybutyl) phosphate,tris(4-methoxybutyl) phosphate,COCCCCOP(=O)(OCCCCOC)OCCCCOC,COCCCCOP(=O)(OCCCCOC)OCCCCOC,"InChI=1/C15H33O7P/c1-17-10-4-7-13-20-23(16,21-14-8-5-11-18-2)22-15-9-6-12-19-3/h4-15H2,1-3H3",C15H33O7P,,,,,,RJAXJFWBJQWSHY-UHFFFAOYSA-N,,,,,,,,,,,
100.094.854,304-385-9,94249-11-3,(2-hydroxydodecyl)bis(2-hydroxyethyl)methylammonium toluene-p-sulphonate,"2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyldodecan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCC(O)C[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCC(O)C[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C17H38NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-17(21)16-18(2,12-14-19)13-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h17,19-21H,3-16H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C17H38NO3.C7H7O3S,,,,,,FAZMONYZHWAWSQ-UHFFFAOYSA-M,,,,,,,,,,,
100.094.855,304-386-4,94249-13-5,Bis(2-hydroxyethyl)(2-hydroxyoctadecyl)methylammonium toluene-p-sulphonate,"2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyloctadecan-1-aminium 4-methylbenzenesulfonate",CCCCCCCCCCCCCCCCC(O)C[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-],CCCCCCCCCCCCCCCCC(O)C[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C23H50NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)22-24(2,18-20-25)19-21-26;1-6-2-4-7(5-3-6)11(8,9)10/h23,25-27H,3-22H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",C23H50NO3.C7H7O3S,,,,,,DIHMWNCOPZUFER-UHFFFAOYSA-M,,,,,,,,,,,
100.094.857,304-389-0,94249-15-7,Tetrahydro-5-hydroxy-2H-pyran-2-methanol,"1,5-anhydro-3,4-dideoxyhexitol",OCC1CCC(O)CO1,OCC1CCC(O)CO1,"InChI=1/C6H12O3/c7-3-6-2-1-5(8)4-9-6/h5-8H,1-4H2",C6H12O3,,,,,,SOCMOTOHJWIJEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.860,304-392-7,94249-18-0,"Trisodium 4-amino-3-[[4-[[4-[(4-amino-2-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate","trisodium 4-amino-3-{[4-({4-[(4-amino-2-hydroxyphenyl)diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc6cc(N)ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5,[Na+].[Na+].[Na+].Oc6cc(N)ccc6N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5,"InChI=1/C34H27N9O11S3.3Na/c35-19-6-12-24(26(44)16-19)41-38-22-9-7-20(8-10-22)37-25-13-11-23(17-27(25)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-21-4-2-1-3-5-21;;;/h1-17,37,44-45H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3",C34H27N9O11S3.3Na,,,,,,OFZZVFUDMGQBEL-UHFFFAOYSA-K,,,,,,,,,,,
100.094.867,304-400-9,94265-95-9,4-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-3-buten-2-ol,4-bicyclo[2.2.1]hept-5-en-2-yl-3-methylbut-3-en-2-ol,CC(O)C(C)=CC2CC1/C=C\\C2C1,CC(O)C(C)=CC2CC1/C=C\C2C1,"InChI=1/C12H18O/c1-8(9(2)13)5-12-7-10-3-4-11(12)6-10/h3-5,9-13H,6-7H2,1-2H3",C12H18O,,,,,,LUAIZEQJXRXHQC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.868,304-401-4,94265-96-0,"(4aa,7a,8aß)-3,4,4a,7,8,8a-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran","3,3,6,7-tetramethyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene",CC1C[C@H]2COC(C)(C)C[C@@H]2C=C1C,CC1C[C@H]2COC(C)(C)C[C@@H]2C=C1C,"InChI=1/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h5,10-12H,6-8H2,1-4H3",C13H22O,,,,,,HIHXXYCXFIAFGQ-RAMGSTBQSA-N,,,,,,,,,,,
100.094.873,304-407-7,94266-01-0,"3-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)oxy]-N,N,2,2-tetramethylpropylamine","3-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)oxy]-N,N,2,2-tetramethylpropan-1-amine",CN(C)CC(C)(C)COB1OCC(C)(C)CO1,CN(C)CC(C)(C)COB1OCC(C)(C)CO1,"InChI=1/C12H26BNO3/c1-11(2,7-14(5)6)8-15-13-16-9-12(3,4)10-17-13/h7-10H2,1-6H3",C12H26BNO3,,,,,,SJHZQZRZOQXGAB-UHFFFAOYSA-N,,,,,,,,,,,
100.093.866,303-299-9,94160-17-5,Heptyl N-acetyl-DL-methionate,heptyl N-acetyl-L-methioninate,CCCCCCCOC(=O)[C@H](CCSC)NC(=O)C,CCCCCCCOC(=O)[C@H](CCSC)NC(=O)C,"InChI=1/C14H27NO3S/c1-4-5-6-7-8-10-18-14(17)13(9-11-19-3)15-12(2)16/h13H,4-11H2,1-3H3,(H,15,16)",C14H27NO3S,,,,,,ITAMPCRWHBHHPJ-ZDUSSCGKSA-N,,,,,,,,,,,
100.093.867,303-300-2,94160-18-6,Octyl N-acetyl-DL-methionate,octyl N-acetyl-L-methioninate,CCCCCCCCOC(=O)[C@H](CCSC)NC(=O)C,CCCCCCCCOC(=O)[C@H](CCSC)NC(=O)C,"InChI=1/C15H29NO3S/c1-4-5-6-7-8-9-11-19-15(18)14(10-12-20-3)16-13(2)17/h14H,4-12H2,1-3H3,(H,16,17)",C15H29NO3S,,,,,,IVEABYDAJLBAAJ-AWEZNQCLSA-N,,,,,,,,,,,
100.093.873,303-307-0,94160-24-4,Dipentadecyl phosphonate,dipentadecyl phosphonate,CCCCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCCCC,"InChI=1/C30H63O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-34(31)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-30H2,1-2H3",C30H63O3P,,,,,,UEXRXCIBNQSYJL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.004,303-450-9,94199-76-5,Tetrasodium [(hexylimino)bis(methylene)]bisphosphonate,tetrasodium [(hexylimino)bis(methylene)]bis(phosphonate),[Na+].[Na+].[Na+].[Na+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H21NO6P2.4Na/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4",C8H21NO6P2.4Na,,,,,,VWRUAUDJNPVQLX-UHFFFAOYSA-J,,,,,,,,,,,
100.094.015,303-462-4,94199-87-8,"D-glucitol 1,6-bis(bromoacetate)","1,6-bis-O-(bromoacetyl)-D-glucitol",O[C@H](COC(=O)CBr)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CBr,O[C@H](COC(=O)CBr)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CBr,"InChI=1/C10H16Br2O8/c11-1-7(15)19-3-5(13)9(17)10(18)6(14)4-20-8(16)2-12/h5-6,9-10,13-14,17-18H,1-4H2",C10H16Br2O8,,,,,,LDSLASZUQAQSGH-MLTZYSBQSA-N,,,,,,,,,,,
100.094.016,303-464-5,94199-88-9,D-glucitol 2-(bromoacetate),2-O-(bromoacetyl)-D-glucitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)OC(=O)CBr,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)OC(=O)CBr,"InChI=1/C8H15BrO7/c9-1-6(13)16-5(3-11)8(15)7(14)4(12)2-10/h4-5,7-8,10-12,14-15H,1-3H2",C8H15BrO7,,,,,,YRGPNCODYKTVJL-IXROVEORSA-N,,,,,,,,,,,
100.094.026,303-475-5,94199-98-1,"Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulphonate","sodium 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-methylbenzenesulfonate",[Na+].Cc1ccc(Nc2nc(Cl)nc(Cl)n2)c(c1)S(=O)(=O)[O-],[Na+].Cc1ccc(Nc2nc(Cl)nc(Cl)n2)c(c1)S(=O)(=O)[O-],"InChI=1/C10H8Cl2N4O3S.Na/c1-5-2-3-6(7(4-5)20(17,18)19)13-10-15-8(11)14-9(12)16-10;/h2-4H,1H3,(H,17,18,19)(H,13,14,15,16);/q;+1/p-1",C10H8Cl2N4O3S.Na,,,,,,FWMYYRQSLCZOOL-UHFFFAOYSA-M,,,,,,,,,,,
100.096.350,306-036-6,95873-47-5,Sodium 3-amino-5-chloro-2-hydroxybenzenesulphonate,sodium 3-amino-5-chloro-2-hydroxybenzenesulfonate,[Na+].Nc1cc(Cl)cc(c1O)S(=O)(=O)[O-],[Na+].Nc1cc(Cl)cc(c1O)S(=O)(=O)[O-],"InChI=1/C6H6ClNO4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,8H2,(H,10,11,12);/q;+1/p-1",C6H6ClNO4S.Na,,,,,,BLIWWSFAMCKJON-UHFFFAOYSA-M,,,,,,,,,,,
100.096.359,306-046-0,95873-56-6,"Sodium 3-chloro-6-[(2,4-dihydroxyphenyl)azo]toluene-4-sulphonate","sodium 2-chloro-5-[(2,4-dihydroxyphenyl)diazenyl]-4-methylbenzenesulfonate",[Na+].O=S([O-])(=O)c2cc(N=Nc1ccc(O)cc1O)c(C)cc2Cl,[Na+].O=S([O-])(=O)c2cc(N=Nc1ccc(O)cc1O)c(C)cc2Cl,"InChI=1/C13H11ClN2O5S.Na/c1-7-4-9(14)13(22(19,20)21)6-11(7)16-15-10-3-2-8(17)5-12(10)18;/h2-6,17-18H,1H3,(H,19,20,21);/q;+1/p-1",C13H11ClN2O5S.Na,,,,,,AKUPURLVDLRSIW-UHFFFAOYSA-M,,,,,,,,,,,
100.096.361,306-048-1,95873-58-8,N-(6-aminohexyl)-6-hydroxyhexanamide,N-(6-aminohexyl)-6-hydroxyhexanamide,NCCCCCCNC(=O)CCCCCO,NCCCCCCNC(=O)CCCCCO,"InChI=1/C12H26N2O2/c13-9-5-1-2-6-10-14-12(16)8-4-3-7-11-15/h15H,1-11,13H2,(H,14,16)",C12H26N2O2,,,,,,PPTSELWQYYWEQG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.368,306-056-5,95873-65-7,Tetrahydrofurfuryl 2-methylcrotonate,tetrahydrofuran-2-ylmethyl 2-methylbut-2-enoate,C\\C=C(/C)\\C(=O)OCC1CCCO1,C\C=C(/C)\C(=O)OCC1CCCO1,"InChI=1/C10H16O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h3,9H,4-7H2,1-2H3",C10H16O3,,,,,,HLPPKJYNZGJOBE-FPYGCLRLSA-N,,,,,,,,,,,
100.097.886,307-725-4,97721-79-4,3-chloro-6-methylpyridazinium chloride,3-chloro-6-methylpyridazin-1-ium chloride,[Cl-].Cc1ccc(Cl)n[nH+]1,[Cl-].Cc1ccc(Cl)n[nH+]1,"InChI=1/C5H5ClN2.ClH/c1-4-2-3-5(6)8-7-4;/h2-3H,1H3;1H",C5H5ClN2.ClH,,,,,,AOMHCMMXWAUZSX-UHFFFAOYSA-N,,,,,,,,,,,
100.096.150,305-811-6,95046-23-4,"N,N'-[1,4-dioxane-2,5-diylbis(methylene)]bis[N-(carboxymethyl)glycine]","2,2',2'',2'''-[1,4-dioxane-2,5-diylbis(methylenenitrilo)]tetraacetic acid",OC(=O)CN(CC1COC(CN(CC(=O)O)CC(=O)O)CO1)CC(=O)O,OC(=O)CN(CC1COC(CN(CC(=O)O)CC(=O)O)CO1)CC(=O)O,"InChI=1/C14H22N2O10/c17-11(18)3-15(4-12(19)20)1-9-7-26-10(8-25-9)2-16(5-13(21)22)6-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C14H22N2O10,,,,,,VIZXPVJRZYHHDC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.151,305-812-1,95046-24-5,3-[[4-[(4-aminophenyl)methyl]phenyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate,3-{[4-(4-aminobenzyl)phenyl]amino}-2-hydroxypropyl 2-methyl-2-nonylundecanoate,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNc1ccc(Cc2ccc(N)cc2)cc1,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNc1ccc(Cc2ccc(N)cc2)cc1,"InChI=1/C37H60N2O3/c1-4-6-8-10-12-14-16-26-37(3,27-17-15-13-11-9-7-5-2)36(41)42-30-35(40)29-39-34-24-20-32(21-25-34)28-31-18-22-33(38)23-19-31/h18-25,35,39-40H,4-17,26-30,38H2,1-3H3",C37H60N2O3,,,,,,SFZOKWXBDAXUEE-UHFFFAOYSA-N,,,,,,,,,,,
100.096.157,305-818-4,95046-31-4,5-ethyl-5-(1-ethyl-2-methylpropyl)barbituric acid,"5-ethyl-5-(1-ethyl-2-methylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione",CCC(C(C)C)C1(CC)C(=O)NC(=O)NC1=O,CCC(C(C)C)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1/C12H20N2O3/c1-5-8(7(3)4)12(6-2)9(15)13-11(17)14-10(12)16/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)",C12H20N2O3,,,,,,MXXWTDJMNCLMLK-UHFFFAOYSA-N,,,,,,,,,,,
100.097.936,307-780-4,97747-46-1,2-acetamido-2-deoxy-3-O-ß-D-glucopyranuronosyl-ß-D-glucopyranose,2-acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O,"InChI=1/C14H23NO12/c1-3(17)15-5-10(6(18)4(2-16)25-13(5)24)26-14-9(21)7(19)8(20)11(27-14)12(22)23/h4-11,13-14,16,18-21,24H,2H2,1H3,(H,15,17)(H,22,23)",C14H23NO12,,,,,,LJORHONFMDUUHP-VOGNPWKQSA-N,,,,,,,,,,,
100.097.939,307-784-6,97752-22-2,"4,4a,5,6,7,8-hexahydro-1,6-dimethyl-4-(1-methylethyl)naphthalen-2(3H)-one","4-isopropyl-1,6-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one",CC(C)C1CC(=O)C(=C2CCC(C)CC12)C,CC(C)C1CC(=O)C(=C2CCC(C)CC12)C,"InChI=1/C15H24O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h9-10,13-14H,5-8H2,1-4H3",C15H24O,,,,,,BAXDUIVVBWNUFA-UHFFFAOYSA-N,,,,,,,,,,,
100.097.941,307-786-7,97752-24-4,"4,5,6,7,7-pentamethyloctan-3-ol","4,5,6,7,7-pentamethyloctan-3-ol",CCC(O)C(C)C(C)C(C)C(C)(C)C,CCC(O)C(C)C(C)C(C)C(C)(C)C,"InChI=1/C13H28O/c1-8-12(14)10(3)9(2)11(4)13(5,6)7/h9-12,14H,8H2,1-7H3",C13H28O,,,,,,QIKQWLYMJZQXFA-UHFFFAOYSA-N,,,,,,,,,,,
100.099.122,309-097-7,99948-88-6,"(E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one","5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one",CC(C)CC(=O)\\C=C\\C1C(=CCCC1(C)C)C,CC(C)CC(=O)\C=C\C1C(=CCCC1(C)C)C,"InChI=1/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3",C16H26O,,,,,,QLDFUXZWCMSFEO-CMDGGOBGSA-N,,,,,,,,,,,
100.096.006,305-653-8,94944-75-9,"m-[4-(2-cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid","3-{4-(2-cyanoethyl)-5-oxo-3-[4-(stearoylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid",CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C2=NN(C(=O)C2CCC#N)c3cccc(c3)S(=O)(=O)O,CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C2=NN(C(=O)C2CCC#N)c3cccc(c3)S(=O)(=O)O,"InChI=1/C36H50N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-34(41)38-30-25-23-29(24-26-30)35-33(21-18-27-37)36(42)40(39-35)31-19-17-20-32(28-31)46(43,44)45/h17,19-20,23-26,28,33H,2-16,18,21-22H2,1H3,(H,38,41)(H,43,44,45)",C36H50N4O5S,,,,,,JLUMGSZBJQCCCD-UHFFFAOYSA-N,,,,,,,,,,,
100.096.007,305-654-3,94944-77-1,"(Z,Z)-2-(8-heptadecenyl)-4,5-dihydro-1-methyl-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium methyl sulphate",2-heptadec-8-en-1-yl-1-methyl-3-[2-(oleoylamino)ethyl]imidazolidin-1-ium methyl sulfate,CCCCCCCC\\C=C/CCCCCCCC1N(CCNC(=O)CCCCCCC\\C=C/CCCCCCCC)CC[NH+]1C.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC1N(CCNC(=O)CCCCCCC\C=C/CCCCCCCC)CC[NH+]1C.COS(=O)(=O)[O-],"InChI=1/C41H79N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(45)42-36-37-44-39-38-43(3)41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,41H,4-17,22-39H2,1-3H3,(H,42,45);1H3,(H,2,3,4)",C41H78N3O.CH3O4S,,,,,,ZDIREPVNOQHVMY-YIQDKWKASA-N,,,,,,,,,,,
100.096.010,305-658-5,94944-80-6,"3,3'-[[4-(tert-butyl)phenyl]methylene]bis(1H-indole)","3,3'-[(4-tert-butylphenyl)methylene]bis(1H-indole)",CC(C)(C)c1ccc(cc1)C(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45,CC(C)(C)c1ccc(cc1)C(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45,"InChI=1/C27H26N2/c1-27(2,3)19-14-12-18(13-15-19)26(22-16-28-24-10-6-4-8-20(22)24)23-17-29-25-11-7-5-9-21(23)25/h4-17,26,28-29H,1-3H3",C27H26N2,,,,,,NCPVEZRBHNDCIV-UHFFFAOYSA-N,,,,,,,,,,,
100.096.014,305-662-7,94944-84-0,"Disodium 7,7'-iminobis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate]","disodium 7,7'-iminobis{3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate}",[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C36H29N7O10S2.2Na/c1-19(44)37-23-3-7-25(8-4-23)40-42-33-31(54(48,49)50)17-21-15-27(11-13-29(21)35(33)46)39-28-12-14-30-22(16-28)18-32(55(51,52)53)34(36(30)47)43-41-26-9-5-24(6-10-26)38-20(2)45;;/h3-18,39,46-47H,1-2H3,(H,37,44)(H,38,45)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",C36H29N7O10S2.2Na,,,,,,RMPJYFDIJFDFEQ-UHFFFAOYSA-L,,,,,,,,,,,
100.096.054,305-706-5,94992-57-1,"(S)-glycolic acid, compound with (R)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline (1:1)","hydroxyacetic acid - 1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline (1:1)",COc1ccc(C[C@H]2NCCC3=C2CCCC3)cc1.OCC(=O)O,COc1ccc(C[C@H]2NCCC3=C2CCCC3)cc1.OCC(=O)O,"InChI=1/C17H23NO.C2H4O3/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17;3-1-2(4)5/h6-9,17-18H,2-5,10-12H2,1H3;3H,1H2,(H,4,5)",C17H23NO.C8H8O3,,,,,,RIPYWWDTVSFQJZ-UNTBIKODSA-N,,,,,,,,,,,
100.096.060,305-712-8,95008-86-9,Sodium 5-[[5-(benzoylamino)-2-[[2-[(4-ethoxy-3-sulphophenyl)hydrazono]-1-methylnonadecylidene]hydrazino]phenyl]sulphonyl]salicylate,sodium 5-{[5-(benzoylamino)-2-(2-{2-[(4-ethoxy-3-sulfophenyl)hydrazono]-1-methylnonadecylidene}hydrazino)phenyl]sulfonyl}-2-hydroxybenzoate,[Na+].CCOc1ccc(cc1S(O)(=O)=O)NN=C(CCCCCCCCCCCCCCCCC)C(C)=NNc3ccc(NC(=O)c2ccccc2)cc3S(=O)(=O)c4cc(C([O-])=O)c(O)cc4,[Na+].CCOc1ccc(cc1S(O)(=O)=O)NN=C(CCCCCCCCCCCCCCCCC)C(C)=NNc3ccc(NC(=O)c2ccccc2)cc3S(=O)(=O)c4cc(C([O-])=O)c(O)cc4,"InChI=1/C48H63N5O10S2.Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(52-51-38-27-31-44(63-5-2)46(33-38)65(60,61)62)35(3)50-53-42-29-26-37(49-47(55)36-23-20-19-21-24-36)32-45(42)64(58,59)39-28-30-43(54)40(34-39)48(56)57;/h19-21,23-24,26-34,51,53-54H,4-18,22,25H2,1-3H3,(H,49,55)(H,56,57)(H,60,61,62);/q;+1/p-1",C48H63N5O10S2.Na,,,,,,TWCAOYSAJNQHEG-UHFFFAOYSA-M,,,,,,,,,,,
100.096.063,305-715-4,95008-89-2,"Tetrasodium 3,3'-[carbonylbis[imino-m-phenylenecarbonylimino(5-methoxy-2-methyl-p-phenylene)azo]]bis[6-hydroxy-5-sulphonatobenzoate]",tetrasodium 5-[(4-{[3-({[3-({4-[(3-carboxylato-4-hydroxy-5-sulfonatophenyl)diazenyl]-5-methoxy-2-methylphenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}-2-methoxy-5-methylphenyl)diazenyl]-2-hydroxy-3-sulfonatobenzoate,[Na+].[Na+].[Na+].[Na+].COc6cc(NC(=O)c4cccc(NC(=O)Nc1cc(ccc1)C(=O)Nc3cc(OC)c(N=Nc2cc(C([O-])=O)c(O)c(c2)S([O-])(=O)=O)cc3C)c4)c(C)cc6N=Nc5cc(C([O-])=O)c(O)c(c5)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].COc6cc(NC(=O)c4cccc(NC(=O)Nc1cc(ccc1)C(=O)Nc3cc(OC)c(N=Nc2cc(C([O-])=O)c(O)c(c2)S([O-])(=O)=O)cc3C)c4)c(C)cc6N=Nc5cc(C([O-])=O)c(O)c(c5)S([O-])(=O)=O,"InChI=1/C45H38N8O17S2.4Na/c1-21-11-33(52-50-27-15-29(43(58)59)39(54)37(17-27)71(63,64)65)35(69-3)19-31(21)48-41(56)23-7-5-9-25(13-23)46-45(62)47-26-10-6-8-24(14-26)42(57)49-32-20-36(70-4)34(12-22(32)2)53-51-28-16-30(44(60)61)40(55)38(18-28)72(66,67)68;;;;/h5-20,54-55H,1-4H3,(H,48,56)(H,49,57)(H,58,59)(H,60,61)(H2,46,47,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4",C45H38N8O17S2.4Na,,,,,,KAKPKCICQLSMSJ-UHFFFAOYSA-J,,,,,,,,,,,
100.096.067,305-720-1,95008-93-8,Benzyl cyclopentanevalerate,benzyl 5-cyclopentylpentanoate,O=C(CCCCC1CCCC1)OCc2ccccc2,O=C(CCCCC1CCCC1)OCc2ccccc2,"InChI=1/C17H24O2/c18-17(19-14-16-11-2-1-3-12-16)13-7-6-10-15-8-4-5-9-15/h1-3,11-12,15H,4-10,13-14H2",C17H24O2,,,,,,ONKIFINYCDJCBF-UHFFFAOYSA-N,,,,,,,,,,,
100.096.068,305-721-7,95008-94-9,Undec-8-enol,undec-8-en-1-ol,CCC=CCCCCCCCO,CCC=CCCCCCCCO,"InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,12H,2,5-11H2,1H3",C11H22O,,,,,,HPILEMWCRGJTJG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.069,305-722-2,95008-95-0,Undec-7-enol,undec-7-en-1-ol,CCCC=CCCCCCCO,CCCC=CCCCCCCO,"InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h4-5,12H,2-3,6-11H2,1H3",C11H22O,,,,,,HSSDVVQQUVHRTR-UHFFFAOYSA-N,,,,,,,,,,,
100.099.588,309-618-8,100432-45-9,"Platinum(4+) 2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiolate","platinum(4+) tetrakis(2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiolate)",[Pt+4].CC1C([S-])CC2CC1C2(C)C.CC3C([S-])CC4CC3C4(C)C.CC5C([S-])CC6CC5C6(C)C.CC7C([S-])CC8CC7C8(C)C,[Pt+4].CC1C([S-])CC2CC1C2(C)C.CC3C([S-])CC4CC3C4(C)C.CC5C([S-])CC6CC5C6(C)C.CC7C([S-])CC8CC7C8(C)C,"InChI=1/4C10H18S.Pt/c4*1-6-8-4-7(5-9(6)11)10(8,2)3;/h4*6-9,11H,4-5H2,1-3H3;/q;;;;+4/p-4",C10H18S.1/4Pt,,,,,,SYITYIXUVICVJL-UHFFFAOYSA-J,,,,,,,,,,,
100.097.858,307-695-2,97692-42-7,"Methyl 1-benzyl-1,2,5,6-tetrahydro-4-hydroxynicotinate","methyl 1-benzyl-4-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylate",COC(=O)C1=C(O)CCN(Cc2ccccc2)C1,COC(=O)C1=C(O)CCN(Cc2ccccc2)C1,"InChI=1/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3",C14H17NO3,,,,,,NIOZGZNXEHVZNI-UHFFFAOYSA-N,,,,,,,,,,,
100.097.864,307-701-3,97692-48-3,Bis[2-(2-hydroxyethoxy)ethyl]methyl(9-octadecenyl)ammonium chloride,"N,N-bis[2-(2-hydroxyethoxy)ethyl]-N-methyloctadec-9-en-1-aminium chloride",[Cl-].C[N+](CCOCCO)(CCOCCO)CCCCCCCCC=CCCCCCCCC,[Cl-].C[N+](CCOCCO)(CCOCCO)CCCCCCCCC=CCCCCCCCC,"InChI=1/C27H56NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(2,20-24-31-26-22-29)21-25-32-27-23-30;/h10-11,29-30H,3-9,12-27H2,1-2H3;1H/q+1;/p-1",C27H56NO4.Cl,,,,,,ZNPJAFONWOZXBR-UHFFFAOYSA-M,,,,,,,,,,,
100.097.867,307-705-5,97692-53-0,"2,8,10,16,17,23-hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane","2,8,10,16,17,23-hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane",C1COB2OCCNCCOB(OCCNCCO2)OCCN1,C1COB2OCCNCCOB(OCCNCCO2)OCCN1,"InChI=1/C12H27B2N3O6/c1-7-18-13-20-9-3-16-5-11-22-14(19-8-2-15-1)23-12-6-17-4-10-21-13/h15-17H,1-12H2",C12H27B2N3O6,,,,,,WFNKMUAZGYABQK-UHFFFAOYSA-N,,,,,,,,,,,
100.097.871,307-709-7,97692-57-4,Bis(2-hydroxyethyl)methyloleylammonium methyl sulphate,N-[3-hydroxy-1-(2-hydroxyethyl)propyl]octadec-9-en-1-aminium methyl sulfate,CCCCCCCC\\C=C/CCCCCCCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-],CCCCCCCC\C=C/CCCCCCCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-],"InChI=1/C23H47NO2.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(18-21-25)19-22-26;1-5-6(2,3)4/h9-10,23-26H,2-8,11-22H2,1H3;1H3,(H,2,3,4)",C23H48NO2.CH3O4S,,,,,,GITASUKBZBVXHQ-KVVVOXFISA-N,,,,,,,,,,,
100.099.379,309-388-9,100258-44-4,"Strychnidin-10-one, arsenite (1:1)",arsenous acid - strychnidin-10-one (1:1),O[As](O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,O[As](O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67,"InChI=1/C21H22N2O2.AsH3O3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;2-1(3)4/h1-5,13,16-17,19-20H,6-11H2;2-4H",C21H22N2O2.AsH3O3,,,,,,SUAGUFCUFUYUQK-ZEYGOCRCSA-N,,,,,,,,,,,
100.099.380,309-389-4,100258-45-5,2-hexyldecyl 12-[(1-oxooctadecyl)oxy]octadecanoate,2-hexyldecyl 12-(stearoyloxy)octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC,"InChI=1/C52H102O4/c1-5-9-13-17-19-20-21-22-23-24-25-26-31-35-41-47-52(54)56-50(44-38-16-12-8-4)45-39-33-29-27-28-30-34-40-46-51(53)55-48-49(42-36-15-11-7-3)43-37-32-18-14-10-6-2/h49-50H,5-48H2,1-4H3",C52H102O4,,,,,,YGERJSGCMKZWEK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.915,305-552-9,94667-47-7,1H-benzotriazolesulphonic acid,1H-benzotriazole-4-sulfonic acid,OS(=O)(=O)c1cccc2[nH]nnc12,OS(=O)(=O)c1cccc2[nH]nnc12,"InChI=1/C6H5N3O3S/c10-13(11,12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)(H,10,11,12)",C6H5N3O3S,,,,,,WVKWKEWFTVEVCF-UHFFFAOYSA-N,,,,,,,,,,,
100.095.926,305-564-4,94713-19-6,"2-methyl-4-(octahydro-4,7-dimethyl-1H-inden-5-yl)cyclohexan-1-ol","4-(4,7-dimethyloctahydro-1H-inden-5-yl)-2-methylcyclohexanol",CC1CC(CCC1O)C2CC(C)C3CCCC3C2C,CC1CC(CCC1O)C2CC(C)C3CCCC3C2C,"InChI=1/C18H32O/c1-11-10-17(13(3)16-6-4-5-15(11)16)14-7-8-18(19)12(2)9-14/h11-19H,4-10H2,1-3H3",C17H28O,,,,,,ZODCEMZFCDXFQH-UHFFFAOYSA-N,,,,,,,,,,,
100.095.927,305-566-5,94713-20-9,N-(4-amino-2-hydroxyphenyl)-N'-(p-cyanophenyl)urea mono(toluene-p-sulphonate),1-(4-amino-2-hydroxyphenyl)-3-(4-cyanophenyl)urea 4-methylbenzenesulfonate (salt),Cc1ccc(cc1)S(=O)(=O)O.Nc2ccc(NC(=O)Nc3ccc(cc3)C#N)c(O)c2,Cc1ccc(cc1)S(=O)(=O)O.Nc2ccc(NC(=O)Nc3ccc(cc3)C#N)c(O)c2,"InChI=1/C14H12N4O2.C7H8O3S/c15-8-9-1-4-11(5-2-9)17-14(20)18-12-6-3-10(16)7-13(12)19;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,19H,16H2,(H2,17,18,20);2-5H,1H3,(H,8,9,10)",C14H12N4O2.C7H8O3S,,,,,,MBVNVMITIVWIOW-UHFFFAOYSA-N,,,,,,,,,,,
100.095.928,305-567-0,94713-21-0,"Toluene-o-sulphonic acid, compound with N-(p-amino-o-hydroxyphenyl)-N'-(p-cyanophenyl)urea (1:1)",2-methylbenzenesulfonic acid - 1-(4-amino-2-hydroxyphenyl)-3-(4-cyanophenyl)urea (1:1),Cc1ccccc1S(=O)(=O)O.Nc2ccc(NC(=O)Nc3ccc(cc3)C#N)c(O)c2,Cc1ccccc1S(=O)(=O)O.Nc2ccc(NC(=O)Nc3ccc(cc3)C#N)c(O)c2,"InChI=1/C14H12N4O2.C7H8O3S/c15-8-9-1-4-11(5-2-9)17-14(20)18-12-6-3-10(16)7-13(12)19;1-6-4-2-3-5-7(6)11(8,9)10/h1-7,19H,16H2,(H2,17,18,20);2-5H,1H3,(H,8,9,10)",C14H12N4O2.C7H8O3S,,,,,,KAYDZBLORDYWNX-UHFFFAOYSA-N,,,,,,,,,,,
100.097.726,307-549-8,97660-38-3,"Carbonic acid, magnesium salt, basic",magnesium carbonate,[Mg+2].[O-]C(=O)[O-],[Mg+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",-,,,,,,ZLNQQNXFFQJAID-UHFFFAOYSA-L,,,,,,,,,,,
100.099.446,309-462-0,100335-18-0,"Silver(1+) 2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiolate","silver(1+) 2,6,6-trimethylbicyclo[3.1.1]heptane-3-thiolate",[Ag+].CC1C([S-])CC2CC1C2(C)C,[Ag+].CC1C([S-])CC2CC1C2(C)C,"InChI=1/C10H18S.Ag/c1-6-8-4-7(5-9(6)11)10(8,2)3;/h6-9,11H,4-5H2,1-3H3;/q;+1/p-1",C10H18S.Ag,,,,,,TYSZWAGPSBKKNV-UHFFFAOYSA-M,,,,,,,,,,,
100.099.253,309-240-3,100208-39-7,"2,5,8,11-tetraoxadodecane-1,12-diol","2,5,8,11-tetraoxadodecane-1,12-diol",OCOCCOCCOCCOCO,OCOCCOCCOCCOCO,"InChI=1/C8H18O6/c9-7-13-5-3-11-1-2-12-4-6-14-8-10/h9-10H,1-8H2",C8H18O6,,,,,,XTLHWSJNRCIWOK-UHFFFAOYSA-N,,,,,,,,,,,
100.099.254,309-241-9,100208-40-0,"2,4,7,10,13-pentaoxatetradecane-1,14-diol","2,4,7,10,13-pentaoxatetradecane-1,14-diol",OCOCCOCCOCCOCOCO,OCOCCOCCOCCOCOCO,"InChI=1/C9H20O7/c10-7-14-5-3-12-1-2-13-4-6-15-9-16-8-11/h10-11H,1-9H2",C9H20O7,,,,,,SAVBORFLETUNGO-UHFFFAOYSA-N,,,,,,,,,,,
100.096.408,306-100-3,96097-20-0,"2-(3,3-diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane","2-(3,3-diethoxybut-1-en-1-yl)-1,1,3-trimethylcyclohexane",CC1(C)CCCC(C)C1C=CC(C)(OCC)OCC,CC1(C)CCCC(C)C1C=CC(C)(OCC)OCC,"InChI=1/C17H32O2/c1-7-18-17(6,19-8-2)13-11-15-14(3)10-9-12-16(15,4)5/h11,13-15H,7-10,12H2,1-6H3",C17H32O2,,,,,,HNVHSPIGJIWWQU-UHFFFAOYSA-N,,,,,,,,,,,
100.096.409,306-101-9,96119-30-1,"1-Eicosanol, phosphate, potassium salt",-,[K+].CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],[K+].CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1/C20H43O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H2,21,22,23);/q;+1/p-2",-,,,,,,XRKHUTAJYWKUGY-UHFFFAOYSA-L,,,,,,,,,,,
100.096.441,306-137-5,96446-10-5,S-ethyl furan-2-butanethioate,S-ethyl 4-(2-furyl)butanethioate,CCSC(=O)CCCc1occc1,CCSC(=O)CCCc1occc1,"InChI=1/C10H14O2S/c1-2-13-10(11)7-3-5-9-6-4-8-12-9/h4,6,8H,2-3,5,7H2,1H3",C10H14O2S,,,,,,PVNRECFECOZUEX-UHFFFAOYSA-N,,,,,,,,,,,
100.096.454,306-151-1,96507-73-2,"3-[[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate","3-{[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino}-2-hydroxypropyl 2-methyl-2-nonylundecanoate",CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNCC1(C)CC(N)CC(C)(C)C1,CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(O)CNCC1(C)CC(N)CC(C)(C)C1,"InChI=1/C34H68N2O3/c1-7-9-11-13-15-17-19-21-34(6,22-20-18-16-14-12-10-8-2)31(38)39-26-30(37)25-36-28-33(5)24-29(35)23-32(3,4)27-33/h29-30,36-37H,7-28,35H2,1-6H3",C34H68N2O3,,,,,,GIGKALGXBCPIBB-UHFFFAOYSA-N,,,,,,,,,,,
100.097.561,307-368-4,97605-97-5,"3-(2,3-dihydroxypropoxy)-2-hydroxypropyl oleate","3-(2,3-dihydroxypropoxy)-2-hydroxypropyl octadec-9-enoate",CCCCCCCC\\C=C/CCCCCCCC(=O)OCC(O)COCC(O)CO,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COCC(O)CO,"InChI=1/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-23(27)20-29-19-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3",C24H46O6,,,,,,BKZCZANSHGDPSH-KTKRTIGZSA-N,,,,,,,,,,,
100.097.575,307-384-1,97635-23-9,"Ethyl 3,4,7-trimethyl-2,6-octadienoate","ethyl 3,4,7-trimethylocta-2,6-dienoate",CCOC(=O)C=C(C)C(C)C\\C=C(/C)C,CCOC(=O)C=C(C)C(C)C\C=C(/C)C,"InChI=1/C13H22O2/c1-6-15-13(14)9-12(5)11(4)8-7-10(2)3/h7,9,11H,6,8H2,1-5H3",C13H22O2,,,,,,STDNJDCQQOGKLV-UHFFFAOYSA-N,,,,,,,,,,,
100.097.581,307-390-4,97635-29-5,"Sodium 4-[4-[(2,5-dimethylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate","sodium 4-{4-[(2,5-dimethylphenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cc(C)ccc2C)C3=O,[Na+].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2cc(C)ccc2C)C3=O,"InChI=1/C18H18N4O4S.Na/c1-11-4-5-12(2)16(10-11)19-20-17-13(3)21-22(18(17)23)14-6-8-15(9-7-14)27(24,25)26;/h4-10,17H,1-3H3,(H,24,25,26);/q;+1/p-1",C18H18N4O4S.Na,,,,,,LJGSBOIUDBSDPI-UHFFFAOYSA-M,,,,,,,,,,,
100.097.587,307-397-2,97635-36-4,"Heptyl (9Z,12Z)-octadeca-9,12-dienoate","heptyl octadeca-9,12-dienoate",CCCCCCCOC(=O)CCCCCCC\\C=C/C\\C=C/CCCCC,CCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1/C25H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)27-24-22-20-8-6-4-2/h10-11,13-14H,3-9,12,15-24H2,1-2H3",C25H46O2,,,,,,DBFMOWZBHVFCHH-XVTLYKPTSA-N,,,,,,,,,,,
100.097.595,307-405-4,97635-45-5,"2-ethylhexyl 3,6-dichloropyridine-2-carboxylate","2-ethylhexyl 3,6-dichloropyridine-2-carboxylate",CCCCC(CC)COC(=O)c1nc(Cl)ccc1Cl,CCCCC(CC)COC(=O)c1nc(Cl)ccc1Cl,"InChI=1/C14H19Cl2NO2/c1-3-5-6-10(4-2)9-19-14(18)13-11(15)7-8-12(16)17-13/h7-8,10H,3-6,9H2,1-2H3",C14H19Cl2NO2,,,,,,BOOFNDJFNWCPQD-UHFFFAOYSA-N,,,,,,,,,,,
100.096.492,306-193-0,96565-37-6,Carboxymethyldimethyl-3-[(1-oxoundecyl)amino]propylammonium hydroxide,"N-(carboxymethyl)-N,N-dimethyl-3-(undecanoylamino)propan-1-aminium hydroxide",[OH-].CCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,[OH-].CCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O,"InChI=1/C18H36N2O3.H2O/c1-4-5-6-7-8-9-10-11-13-17(21)19-14-12-15-20(2,3)16-18(22)23;/h4-16H2,1-3H3,(H-,19,21,22,23);1H2",C18H36N2O3,,,,,,YFDWYIFDWNQHKS-UHFFFAOYSA-N,,,,,,,,,,,
100.097.612,307-424-8,97645-26-6,18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulphonic acid,18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonic acid,CCCCCCCCC(C(O)CCCCCCCC(=O)N(CCCC)CCCC)S(=O)(=O)O,CCCCCCCCC(C(O)CCCCCCCC(=O)N(CCCC)CCCC)S(=O)(=O)O,"InChI=1/C26H53NO5S/c1-4-7-10-11-14-17-20-25(33(30,31)32)24(28)19-16-13-12-15-18-21-26(29)27(22-8-5-2)23-9-6-3/h24-25,28H,4-23H2,1-3H3,(H,30,31,32)",C26H53NO5S,,,,,,SVNCGUOHHSGPSE-UHFFFAOYSA-N,,,,,,,,,,,
100.097.622,307-435-8,97659-32-0,2-(dodecyloxy)ethyl phosphate(3:1),tris[2-(dodecyloxy)ethyl] phosphate,CCCCCCCCCCCCOCCOP(=O)(OCCOCCCCCCCCCCCC)OCCOCCCCCCCCCCCC,CCCCCCCCCCCCOCCOP(=O)(OCCOCCCCCCCCCCCC)OCCOCCCCCCCCCCCC,"InChI=1/C42H87O7P/c1-4-7-10-13-16-19-22-25-28-31-34-44-37-40-47-50(43,48-41-38-45-35-32-29-26-23-20-17-14-11-8-5-2)49-42-39-46-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3",C42H87O7P,,,,,,KIUSYSLYLPVJQT-UHFFFAOYSA-N,,,,,,,,,,,
100.097.623,307-436-3,97659-33-1,3-(2-hydroxyethyl)-1-(hydroxymethyl)-1-octadecylurea,3-(2-hydroxyethyl)-1-(hydroxymethyl)-1-octadecylurea,CCCCCCCCCCCCCCCCCCN(CO)C(=O)NCCO,CCCCCCCCCCCCCCCCCCN(CO)C(=O)NCCO,"InChI=1/C22H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(21-26)22(27)23-18-20-25/h25-26H,2-21H2,1H3,(H,23,27)",C22H46N2O3,,,,,,IPOOHGKNBFVTKG-UHFFFAOYSA-N,,,,,,,,,,,
100.097.624,307-437-9,97659-34-2,Calcium 5-ethoxy-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate,calcium bis{5-ethoxy-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate},[Ca+2].[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2ccc1O,[Ca+2].[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C18H16N2O5S.Ca/c2*1-2-25-13-8-9-15(17(11-13)26(22,23)24)19-20-18-14-6-4-3-5-12(14)7-10-16(18)21;/h2*3-11,21H,2H2,1H3,(H,22,23,24);/q;;+2/p-2",C18H16N2O5S.xCa,,,,,,ALLWFKRZIBOODB-UHFFFAOYSA-L,,,,,,,,,,,
100.099.370,309-378-4,100231-77-4,"N2-(2-aminoethyl)ethane-1,1,2-triamine","N~2~-(2-aminoethyl)ethane-1,1,2-triamine",NCCNCC(N)N,NCCNCC(N)N,"InChI=1/C4H14N4/c5-1-2-8-3-4(6)7/h4,8H,1-3,5-7H2",C4H14N4,,,,,,CFAZGYXPBDCSPT-UHFFFAOYSA-N,,,,,,,,,,,
100.099.371,309-380-5,100231-78-5,Tetrakis(hydroxymethyl)phosphonium phosphate(2:1),-,OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-]P(=O)([O-])[O-],OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.[O-]P(=O)([O-])[O-],"InChI=1/2C4H12O4P.H3O4P/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H3,1,2,3,4)/q2*+1;/p-3",C4H12O4P.1/2HO4P,,,,,,KXXIADAVVAMKRK-UHFFFAOYSA-K,,,,,,,,,,,
100.099.141,309-117-4,100063-54-5,"Hydrogen trichlorozincate, compound with 4-[(4-iminocyclohexa-2,5-dien-1-ylidene)benzyl]aniline (1:1)","hydrogen trichlorozincate(1-) 4-[(4-iminocyclohexa-2,5-dien-1-ylidene)(phenyl)methyl]aniline (1:1)",Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccccc3.Cl[Zn-](Cl)Cl,Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccccc3.Cl[Zn-](Cl)Cl,"InChI=1/C19H16N2.3ClH.Zn/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;;;;/h1-13,20H,21H2;3*1H;/q;;;;+2/p-3/rC19H16N2.Cl3Zn/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;1-4(2)3/h1-13,20H,21H2;/q;-1",C19H16N2.Cl3Zn.H,,,,,,VOHLNOIMWHYIPG-UHFFFAOYSA-K,,,,,,,,,,,
100.099.146,309-123-7,100063-59-0,Calcium 2-[(2-hydroxy-1-naphthyl)azo]-5-methylbenzenesulphonate,calcium bis{2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate},[Ca+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O,[Ca+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O.[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2ccc1O,"InChI=1/2C17H14N2O4S.Ca/c2*1-11-6-8-14(16(10-11)24(21,22)23)18-19-17-13-5-3-2-4-12(13)7-9-15(17)20;/h2*2-10,20H,1H3,(H,21,22,23);/q;;+2/p-2",C17H14N2O4S.xCa,,,,,,BRZKDJGNKDVJLB-UHFFFAOYSA-L,,,,,,,,,,,
100.099.147,309-124-2,100063-60-3,2-[[[2-[(hydroxymethyl)[2-[(1-oxoallyl)amino]ethyl]amino]ethyl]amino]carbonyl]benzoic acid,2-[(2-{[2-(acryloylamino)ethyl](hydroxymethyl)amino}ethyl)carbamoyl]benzoic acid,OCN(CCNC(=O)C=C)CCNC(=O)c1ccccc1C(=O)O,OCN(CCNC(=O)C=C)CCNC(=O)c1ccccc1C(=O)O,"InChI=1/C16H21N3O5/c1-2-14(21)17-7-9-19(11-20)10-8-18-15(22)12-5-3-4-6-13(12)16(23)24/h2-6,20H,1,7-11H2,(H,17,21)(H,18,22)(H,23,24)",C16H21N3O5,,,,,,XOXLECXVXJHGCC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.340,306-025-6,95648-83-2,Tris(cyclohexylammonium) (phosphonatooxy)acetate,tricyclohexanaminium (phosphonatooxy)acetate,[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.[NH3+]C3CCCCC3.[O-]C(=O)COP(=O)([O-])[O-],[NH3+]C1CCCCC1.[NH3+]C2CCCCC2.[NH3+]C3CCCCC3.[O-]C(=O)COP(=O)([O-])[O-],"InChI=1/3C6H13N.C2H5O6P/c3*7-6-4-2-1-3-5-6;3-2(4)1-8-9(5,6)7/h3*6H,1-5,7H2;1H2,(H,3,4)(H2,5,6,7)",C6H13N.1/3C2H5O6P,,,,,,YIWGEDXSPPWPAI-UHFFFAOYSA-N,,,,,,,,,,,
100.099.244,309-230-9,100208-30-8,Sodium (R)-thiazolidine-4-carboxylate,"sodium 1,3-thiazolidine-4-carboxylate",[Na+].[O-]C(=O)[C@@H]1CSCN1,[Na+].[O-]C(=O)[C@@H]1CSCN1,"InChI=1/C4H7NO2S.Na/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);/q;+1/p-1",C4H7NO2S.Na,,,,,,YWLXEQKAKDKVBQ-DFWYDOINSA-M,,,,,,,,,,,
100.099.246,309-233-5,100208-32-0,"Bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] glutarate","bis[3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl] glutarate",CC(C)C(OC(=O)CCCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,CC(C)C(OC(=O)CCCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,"InChI=1/C29H52O8/c1-18(2)24(28(9,10)16-34-26(32)20(5)6)36-22(30)14-13-15-23(31)37-25(19(3)4)29(11,12)17-35-27(33)21(7)8/h18-21,24-25H,13-17H2,1-12H3",C29H52O8,,,,,,RNKJNASTTQKQFT-UHFFFAOYSA-N,,,,,,,,,,,
100.099.247,309-234-0,100208-33-1,"Bis[1-isopropyl-2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl] adipate","bis[3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl] adipate",CC(C)C(OC(=O)CCCCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,CC(C)C(OC(=O)CCCCC(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,"InChI=1/C30H54O8/c1-19(2)25(29(9,10)17-35-27(33)21(5)6)37-23(31)15-13-14-16-24(32)38-26(20(3)4)30(11,12)18-36-28(34)22(7)8/h19-22,25-26H,13-18H2,1-12H3",C30H54O8,,,,,,OBTPBXTVFUGBNW-UHFFFAOYSA-N,,,,,,,,,,,
100.098.546,308-453-9,98072-03-8,"7-hydroxy-6,8-dioxa-3,11-diaza-7-boratridecane-1,13-diol",bis{2-[(2-hydroxyethyl)amino]ethyl} hydrogen borate,OCCNCCOB(O)OCCNCCO,OCCNCCOB(O)OCCNCCO,"InChI=1/C8H21BN2O5/c12-5-1-10-3-7-15-9(14)16-8-4-11-2-6-13/h10-14H,1-8H2",C8H21BN2O5,,,,,,FYOVQTHFUZXRNO-UHFFFAOYSA-N,,,,,,,,,,,
100.098.560,308-469-6,98072-19-6,Chloro(pentyloxy)magnesium,magnesium chloride pentan-1-olate,CCCCCO[Mg]Cl,CCCCCO[Mg]Cl,"InChI=1/C5H11O.ClH.Mg/c1-2-3-4-5-6;;/h2-5H2,1H3;1H;/q-1;;+2/p-1/rC5H11ClMgO/c1-2-3-4-5-8-7-6/h2-5H2,1H3",C5H11ClMgO,,,,,,PEMYLNJXGJTSKH-UHFFFAOYSA-M,,,,,,,,,,,
100.098.562,308-471-7,98072-21-0,"Isopropyl 9,10-bis(chlorothio)octadecanoate","isopropyl 9,10-bis(chlorosulfanyl)octadecanoate",CCCCCCCCC(SCl)C(CCCCCCCC(=O)OC(C)C)SCl,CCCCCCCCC(SCl)C(CCCCCCCC(=O)OC(C)C)SCl,"InChI=1/C21H40Cl2O2S2/c1-4-5-6-7-9-12-15-19(26-22)20(27-23)16-13-10-8-11-14-17-21(24)25-18(2)3/h18-20H,4-17H2,1-3H3",C21H40Cl2O2S2,,,,,,BDLLOACFERESGW-UHFFFAOYSA-N,,,,,,,,,,,
100.098.567,308-476-4,98072-26-5,"Ethyl (17-azido-3ß,16a-dihydroxypregn-5-en-20-ylidene)carbazate","ethyl 2-(17-azido-3,16-dihydroxypregn-5-en-20-ylidene)hydrazinecarboxylate",CCOC(=O)NN=C(C)[C@@]3(\\N=[N+]=[N-])[C@H](O)C[C@H]2[C@@H]4C\\C=C1\\C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C,CCOC(=O)NN=C(C)[C@@]3(\N=[N+]=[N-])[C@H](O)C[C@H]2[C@@H]4C\C=C1\C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C,"InChI=1/C24H37N5O4/c1-5-33-21(32)27-26-14(2)24(28-29-25)20(31)13-19-17-7-6-15-12-16(30)8-10-22(15,3)18(17)9-11-23(19,24)4/h6,16-20,30-31H,5,7-13H2,1-4H3,(H,27,32)",C24H37N5O4,,,,,,STCBBMFHAJQVTA-BLFIMETGSA-N,,,,,,,,,,,
100.095.678,305-293-1,94405-97-7,Methyl 4-[[(dimethylamino)carbonyl]thio]salicylate,methyl 4-[(dimethylcarbamoyl)sulfanyl]-2-hydroxybenzoate,COC(=O)c1ccc(SC(=O)N(C)C)cc1O,COC(=O)c1ccc(SC(=O)N(C)C)cc1O,"InChI=1/C11H13NO4S/c1-12(2)11(15)17-7-4-5-8(9(13)6-7)10(14)16-3/h4-6,13H,1-3H3",C11H13NO4S,,,,,,JBLVMCUBAVQXCX-UHFFFAOYSA-N,,,,,,,,,,,
100.095.689,305-305-5,94412-40-5,"trans-4'-(4-propylcyclohexyl)[1,1'-biphenyl]-4-carbonitrile",4'-(4-propylcyclohexyl)biphenyl-4-carbonitrile,CCCC1CCC(CC1)c2ccc(cc2)c3ccc(cc3)C#N,CCCC1CCC(CC1)c2ccc(cc2)c3ccc(cc3)C#N,"InChI=1/C22H25N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10-15,17,19H,2-5,8-9H2,1H3",C22H25N,,,,,,CRCASZFDSWMENA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.694,305-310-2,94425-50-0,(Z)-12-hydroxy-N-[2-[(2-hydroxyethyl)amino]ethyl]-9-octadecenamide,12-hydroxy-N-{2-[(2-hydroxyethyl)amino]ethyl}octadec-9-enamide,CCCCCCC(O)C\\C=C/CCCCCCCC(=O)NCCNCCO,CCCCCCC(O)C\C=C/CCCCCCCC(=O)NCCNCCO,"InChI=1/C22H44N2O3/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)24-18-17-23-19-20-25/h9,12,21,23,25-26H,2-8,10-11,13-20H2,1H3,(H,24,27)",C22H44N2O3,,,,,,MXWVBGZSOBZROQ-XFXZXTDPSA-N,,,,,,,,,,,
100.095.702,305-319-1,94441-94-8,"1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-tryptophan, compound with cyclohexylamine (1:1)",1-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-tryptophan - cyclohexanamine (1:1),CN(C)c1cccc2c(cccc12)S(=O)(=O)n3cc(C[C@H](N)C(=O)O)c4ccccc34.NC5CCCCC5,CN(C)c1cccc2c(cccc12)S(=O)(=O)n3cc(C[C@H](N)C(=O)O)c4ccccc34.NC5CCCCC5,"InChI=1/C23H23N3O4S.C6H13N/c1-25(2)20-11-5-9-18-17(20)8-6-12-22(18)31(29,30)26-14-15(13-19(24)23(27)28)16-7-3-4-10-21(16)26;7-6-4-2-1-3-5-6/h3-12,14,19H,13,24H2,1-2H3,(H,27,28);6H,1-5,7H2",C23H23N3O4S.C6H13N,,,,,,YFSSLBOCIQZKDG-FYZYNONXSA-N,,,,,,,,,,,
100.095.722,305-341-1,94442-15-6,1-[2-[ethyl[3-methyl-4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]ethyl]pyridinium chloride,"1-[2-(ethyl{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)ethyl]pyridinium chloride",[Cl-].CCN(CC[n+]1ccccc1)c3ccc(N=Nc2ncc(s2)[N+]([O-])=O)c(C)c3,[Cl-].CCN(CC[n+]1ccccc1)c3ccc(N=Nc2ncc(s2)[N+]([O-])=O)c(C)c3,"InChI=1/C19H21N6O2S.ClH/c1-3-24(12-11-23-9-5-4-6-10-23)16-7-8-17(15(2)13-16)21-22-19-20-14-18(28-19)25(26)27;/h4-10,13-14H,3,11-12H2,1-2H3;1H/q+1;/p-1",C19H21N6O2S.Cl,,,,,,SFVJQOCMVYOFEV-UHFFFAOYSA-M,,,,,,,,,,,
100.095.747,305-368-9,94474-32-5,"N,N'-hexane-1,6-diylbis(4-hydroxybutyramide)","N,N'-hexane-1,6-diylbis(4-hydroxybutanamide)",OCCCC(=O)NCCCCCCNC(=O)CCCO,OCCCC(=O)NCCCCCCNC(=O)CCCO,"InChI=1/C14H28N2O4/c17-11-5-7-13(19)15-9-3-1-2-4-10-16-14(20)8-6-12-18/h17-18H,1-12H2,(H,15,19)(H,16,20)",C14H28N2O4,,,,,,FCHCCQQVUZBSIR-UHFFFAOYSA-N,,,,,,,,,,,
100.099.027,308-989-3,99587-11-8,Diammonium tetrachloronickelate(2-),diammonium tetrachloronickelate(2-),[NH4+].[NH4+].Cl[Ni-2](Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Ni-2](Cl)(Cl)Cl,"InChI=1/4ClH.2H3N.Ni/h4*1H;2*1H3;/q;;;;;;+2/p-2/rCl4Ni.2H3N/c1-5(2,3)4;;/h;2*1H3/q-2;;/p+2",Cl4Ni.2H4N,,,,,,VJBQKJBLYCYAOB-UHFFFAOYSA-L,,,,,,,,,,,
100.099.031,308-994-0,99670-21-0,"1-[[(1-oxooctadecyl)oxy]methyl]ethylene 2,3-bis(acetoxy)succinate","2,3-diacetoxy-4-{2-[(2,3-diacetoxy-3-carboxypropanoyl)oxy]-1-[(stearoyloxy)methyl]ethoxy}-4-oxobutanoate",O=C(OCC(OC(=O)C(OC(C)=O)C(OC(C)=O)C([O-])=O)COC(=O)CCCCCCCCCCCCCCCCC)C(OC(C)=O)C(OC(C)=O)C(O)=O,O=C(OCC(OC(=O)C(OC(C)=O)C(OC(C)=O)C([O-])=O)COC(=O)CCCCCCCCCCCCCCCCC)C(OC(C)=O)C(OC(C)=O)C(O)=O,"InChI=1/C37H58O18/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(42)49-22-28(55-37(48)33(54-27(5)41)31(35(45)46)52-25(3)39)23-50-36(47)32(53-26(4)40)30(34(43)44)51-24(2)38/h28,30-33H,6-23H2,1-5H3,(H,43,44)(H,45,46)/p-1",C37H58O18,,,,,,MGNDTAFZQITDRD-UHFFFAOYSA-M,,,,,,,,,,,
100.099.042,309-006-0,99670-32-3,"N-[14-methyl-3,6,9,12-tetrakis(2-methylallyl)-3,6,9,12-tetraazapentadec-14-en-1-yl]nonan-1-amide","N-[14-methyl-3,6,9,12-tetrakis(2-methylprop-2-en-1-yl)-3,6,9,12-tetraazapentadec-14-en-1-yl]nonanamide",CCCCCCCCC(=O)NCCN(CCN(CCN(CCN(CC(=C)C)CC(=C)C)CC(=C)C)CC(=C)C)CC(=C)C,CCCCCCCCC(=O)NCCN(CCN(CCN(CCN(CC(=C)C)CC(=C)C)CC(=C)C)CC(=C)C)CC(=C)C,"InChI=1/C37H69N5O/c1-12-13-14-15-16-17-18-37(43)38-19-20-39(27-32(2)3)21-22-40(28-33(4)5)23-24-41(29-34(6)7)25-26-42(30-35(8)9)31-36(10)11/h2,4,6,8,10,12-31H2,1,3,5,7,9,11H3,(H,38,43)",C37H69N5O,,,,,,QZLFJNMNTNWCEG-UHFFFAOYSA-N,,,,,,,,,,,
100.099.046,309-010-2,99688-44-5,"6-[(5,10-dihydro-5,10-dioxoanthra[2,3-d]oxazol-2-yl)amino]naphth[2,3-c]acridine-5,8,14(13H)-trione","6-[(5,10-dioxo-5,10-dihydroanthra[2,3-d][1,3]oxazol-2-yl)amino]naphtho[2,3-c]acridine-5,8,14(13H)-trione",O=C1c2ccccc2Nc3c1cc(Nc4oc5cc6C(=O)c7ccccc7C(=O)c6cc5n4)c8C(=O)c9ccccc9C(=O)c38,O=C1c2ccccc2Nc3c1cc(Nc4oc5cc6C(=O)c7ccccc7C(=O)c6cc5n4)c8C(=O)c9ccccc9C(=O)c38,"InChI=1/C36H17N3O6/c40-31-16-7-1-2-8-17(16)32(41)22-15-27-25(13-21(22)31)38-36(45-27)39-26-14-23-30(37-24-12-6-5-11-20(24)33(23)42)29-28(26)34(43)18-9-3-4-10-19(18)35(29)44/h1-15H,(H,37,42)(H,38,39)",C36H17N3O6,,,,,,WGQGTWQOPSSRGX-UHFFFAOYSA-N,,,,,,,,,,,
100.096.842,306-577-8,97337-83-2,"[4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydroxide","N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydroxide",[OH-].CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,[OH-].CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,"InChI=1/C24H27N3.H2O/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H2",C24H28N3.HO,,,,,,JETATQKWLZODIK-UHFFFAOYSA-N,,,,,,,,,,,
100.096.843,306-578-3,97337-84-3,"Sodium 2-amino-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate","sodium 2-amino-6-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5-olate",[Na+].Cc1cn2nc(N)nc2nc1[O-],[Na+].Cc1cn2nc(N)nc2nc1[O-],"InChI=1/C6H7N5O.Na/c1-3-2-11-6(8-4(3)12)9-5(7)10-11;/h2H,1H3,(H3,7,8,9,10,12);/q;+1/p-1",C6H7N5O.Na,,,,,,KHXVGFQOOMZVHA-UHFFFAOYSA-M,,,,,,,,,,,
100.096.848,306-584-6,97337-89-8,"Disodium 6-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]naphthalene-2-sulphonate","disodium 6-({2,4-dihydroxy-3-[(4-nitrophenyl)diazenyl]phenyl}diazenyl)-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc4cc5c(O)c(N=Nc3cc(cc([N+]([O-])=O)c3O)S([O-])(=O)=O)c(cc5cc4)S([O-])(=O)=O,[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc4cc5c(O)c(N=Nc3cc(cc([N+]([O-])=O)c3O)S([O-])(=O)=O)c(cc5cc4)S([O-])(=O)=O,"InChI=1/C28H18N8O14S2.2Na/c37-22-8-7-19(28(40)24(22)33-29-14-3-5-16(6-4-14)35(41)42)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",C28H18N8O14S2.2Na,,,,,,WXVZKZMMLQSKBX-UHFFFAOYSA-L,,,,,,,,,,,
100.096.849,306-585-1,97337-90-1,1-[6-[[[[3-[[(cyclohexylamino)carbonyl]amino]-5-methylphenyl]amino]carbonyl]amino]hexyl]-3-[3-methyl-5-[[(octadecylamino)carbonyl]amino]phenyl]urea,1-cyclohexyl-3-{3-methyl-5-[({6-[({3-methyl-5-[(octadecylcarbamoyl)amino]phenyl}carbamoyl)amino]hexyl}carbamoyl)amino]phenyl}urea (non-preferred name),CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(C)cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C)cc(NC(=O)NC3CCCCC3)c2)c1,CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(C)cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C)cc(NC(=O)NC3CCCCC3)c2)c1,"InChI=1/C48H80N8O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-49-45(57)53-41-32-38(2)33-42(36-41)54-46(58)50-30-25-19-20-26-31-51-47(59)55-43-34-39(3)35-44(37-43)56-48(60)52-40-27-22-21-23-28-40/h32-37,40H,4-31H2,1-3H3,(H2,49,53,57)(H2,50,54,58)(H2,51,55,59)(H2,52,56,60)",C48H80N8O4,,,,,,JUOLVQCDOPNYAH-UHFFFAOYSA-N,,,,,,,,,,,
100.096.858,306-595-6,97338-00-6,"(E)-4-[3-bromo-1-(4-bromophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl",4-[3-bromo-1-(4-bromophenyl)prop-1-en-1-yl]-4'-chlorobiphenyl,Clc1ccc(cc1)c2ccc(cc2)\\C(=C/CBr)\\c3ccc(Br)cc3,Clc1ccc(cc1)c2ccc(cc2)\C(=C/CBr)\c3ccc(Br)cc3,"InChI=1/C21H15Br2Cl/c22-14-13-21(18-5-9-19(23)10-6-18)17-3-1-15(2-4-17)16-7-11-20(24)12-8-16/h1-13H,14H2",C21H15Br2Cl,,,,,,VWVOZAJMMXTKPT-FYJGNVAPSA-N,,,,,,,,,,,
100.096.862,306-599-8,97338-04-0,"2-[formyl[2-(formyloxy)ethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate","2-{formyl[2-(formyloxy)ethyl]amino}ethyl octadeca-9,12-dienoate",CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)OCCN(CCOC=O)C=O,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCN(CCOC=O)C=O,"InChI=1/C24H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-19-25(22-26)18-20-29-23-27/h6-7,9-10,22-23H,2-5,8,11-21H2,1H3",C24H41NO5,,,,,,VPKGTXRSZZNYTF-HZJYTTRNSA-N,,,,,,,,,,,
100.096.866,306-603-8,97338-11-9,"Octacosane-1,2-diol","octacosane-1,2-diol",CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CO,CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CO,"InChI=1/C28H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(30)27-29/h28-30H,2-27H2,1H3",C28H58O2,,,,,,HEEAULSOEVDNKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.096.873,306-611-1,97338-18-6,Ammonium erbium(3+) disulphate,ammonium erbium(3+) disulphate,[NH4+].[Er+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[NH4+].[Er+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Er.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",Er.H3N.2H2O4S,,,,,,SOIRBTBAELKQIN-UHFFFAOYSA-K,,,,,,,,,,,
100.097.318,307-100-6,97552-48-2,"Propane-1,3-diyl isophthalate",3-({3-[(3-carboxybenzoyl)oxy]propoxy}carbonyl)benzoate,OC(=O)c1cccc(c1)C(=O)OCCCOC(=O)c2cccc(c2)C(=O)[O-],OC(=O)c1cccc(c1)C(=O)OCCCOC(=O)c2cccc(c2)C(=O)[O-],"InChI=1/C19H16O8/c20-16(21)12-4-1-6-14(10-12)18(24)26-8-3-9-27-19(25)15-7-2-5-13(11-15)17(22)23/h1-2,4-7,10-11H,3,8-9H2,(H,20,21)(H,22,23)/p-1",C19H16O8,,,,,,VSZJHYRPGGDBBQ-UHFFFAOYSA-M,,,,,,,,,,,
100.097.336,307-120-5,97552-66-4,N-ethyl-N-[2-(hexyloxy)ethyl]-4-[(5-nitrothiazol-2-yl)azo]aniline,"N-ethyl-N-[2-(hexyloxy)ethyl]-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline",CCN(CCOCCCCCC)c1ccc(cc1)N=Nc2ncc(s2)[N+]([O-])=O,CCN(CCOCCCCCC)c1ccc(cc1)N=Nc2ncc(s2)[N+]([O-])=O,"InChI=1/C19H27N5O3S/c1-3-5-6-7-13-27-14-12-23(4-2)17-10-8-16(9-11-17)21-22-19-20-15-18(28-19)24(25)26/h8-11,15H,3-7,12-14H2,1-2H3",C19H27N5O3S,,,,,,HESORDYNQVXDHT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.530,305-129-9,94345-75-2,"(R)-3,7-dimethyloct-6-enyl isovalerate","3,7-dimethyloct-6-en-1-yl 3-methylbutanoate",CC(C)CC(=O)OCC[C@H](C)CCC=C(C)C,CC(C)CC(=O)OCC[C@H](C)CCC=C(C)C,"InChI=1/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3",C15H28O2,,,,,,WZTNQQJXPYEGAF-CQSZACIVSA-N,,,,,,,,,,,
100.095.539,305-139-3,94349-23-2,"Methoxymethylbis[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]silane","(methoxymethyl){bis[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]}silane",COC[SiH](OC1CC2CCC1(C)C2(C)C)OC3CC4CCC3(C)C4(C)C,COC[SiH](OC1CC2CCC1(C)C2(C)C)OC3CC4CCC3(C)C4(C)C,"InChI=1/C22H40O3Si/c1-19(2)15-8-10-21(19,5)17(12-15)24-26(14-23-7)25-18-13-16-9-11-22(18,6)20(16,3)4/h15-18,26H,8-14H2,1-7H3",C22H40O3Si,,,,,,CDDPPEGVOOEXFG-UHFFFAOYSA-N,,,,,,,,,,,
100.098.437,308-333-6,97952-41-5,N-[3-[(3-aminopropyl)methylamino]propyl]hexadecan-1-amide,N-{3-[(3-aminopropyl)(methyl)amino]propyl}hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCN,CCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCN,"InChI=1/C23H49N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(27)25-20-17-22-26(2)21-16-19-24/h3-22,24H2,1-2H3,(H,25,27)",C23H49N3O,,,,,,KKABUADEUNHDOK-UHFFFAOYSA-N,,,,,,,,,,,
100.098.440,308-336-2,97952-44-8,7-[(2-cyanoethyl)ethylamino]-3-(ethylmethylamino)-2-methylphenoxazin-5-ium acetate,7-[(2-cyanoethyl)(ethyl)amino]-3-[ethyl(methyl)amino]-2-methylphenoxazin-5-ium acetate,CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N.CC(=O)[O-],CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N.CC(=O)[O-],"InChI=1/C21H25N4O.C2H4O2/c1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;1-2(3)4/h8-9,12-14H,5-7,11H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",C21H25N4O.C2H3O2,,,,,,SEZXTGNGRLRIOJ-UHFFFAOYSA-M,,,,,,,,,,,
100.097.355,307-140-4,97552-88-0,Cyclohexyl-2-(2-phenylethyl)phenol,"1-(2-phenylethyl)-1,1'-bi(cyclohexane)-3,5-dien-2-ol",OC1C=CC=CC1(CCc2ccccc2)C3CCCCC3,OC1C=CC=CC1(CCc2ccccc2)C3CCCCC3,"InChI=1/C20H26O/c21-19-13-7-8-15-20(19,18-11-5-2-6-12-18)16-14-17-9-3-1-4-10-17/h1,3-4,7-10,13,15,18-19,21H,2,5-6,11-12,14,16H2",C20H24O,,,,,,WFCPRXAIIITVBR-UHFFFAOYSA-N,,,,,,,,,,,
100.095.556,305-158-7,94349-41-4,"5-[4,5-dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulphonic acid","5-[5-oxo-3-(palmitoylamino)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid",CCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c2ccc(Oc3ccccc3)c(c2)S(=O)(=O)O,CCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c2ccc(Oc3ccccc3)c(c2)S(=O)(=O)O,"InChI=1/C31H43N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(35)32-29-24-31(36)34(33-29)25-21-22-27(28(23-25)41(37,38)39)40-26-18-15-14-16-19-26/h14-16,18-19,21-23H,2-13,17,20,24H2,1H3,(H,32,33,35)(H,37,38,39)",C31H43N3O6S,,,,,,SSTSDBMLLNZAPW-UHFFFAOYSA-N,,,,,,,,,,,
100.095.561,305-163-4,94349-46-9,4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium hexafluorophosphate,4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium hexafluorophosphate,CCN(CCO)c1ccc(cc1C)[N+]#N.F[P-](F)(F)(F)(F)F,CCN(CCO)c1ccc(cc1C)[N+]#N.F[P-](F)(F)(F)(F)F,"InChI=1/C11H16N3O.F6P/c1-3-14(6-7-15)11-5-4-10(13-12)8-9(11)2;1-7(2,3,4,5)6/h4-5,8,15H,3,6-7H2,1-2H3;/q+1;-1",C11H16N3O.F6P,,,,,,BCGUDYVHCHZLJM-UHFFFAOYSA-N,,,,,,,,,,,
100.095.562,305-165-5,94349-47-0,"2,5-diisopropoxy-4-morpholinoaniline","2,5-diisopropoxy-4-morpholin-4-ylaniline",CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1N,CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1N,"InChI=1/C16H26N2O3/c1-11(2)20-15-10-14(18-5-7-19-8-6-18)16(9-13(15)17)21-12(3)4/h9-12H,5-8,17H2,1-4H3",C16H26N2O3,,,,,,IBEGKWUMGUSHCY-UHFFFAOYSA-N,,,,,,,,,,,
100.095.567,305-170-2,94349-52-7,"N-ethyl-4-[[4-(ethylamino)-m-tolylphenyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]-m-toluidine monoacetate","N-ethyl-4'-{[4-(ethylamino)-2-methylphenyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl}-3-methylbiphenyl-2-amine acetate",CC(O)=O.Cc1cccc(c1NCC)c2ccc(cc2)C(c3ccc(NCC)cc3C)=C/4/C=C\\C(=NCC)C(\\C)=C\\4,CC(O)=O.Cc1cccc(c1NCC)c2ccc(cc2)C(c3ccc(NCC)cc3C)=C/4/C=C\C(=NCC)C(\C)=C\4,"InChI=1/C34H39N3.C2H4O2/c1-7-35-29-18-19-30(24(5)22-29)33(28-17-20-32(36-8-2)25(6)21-28)27-15-13-26(14-16-27)31-12-10-11-23(4)34(31)37-9-3;1-2(3)4/h10-22,35,37H,7-9H2,1-6H3;1H3,(H,3,4)",C28H35N3.C2H4O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17228,https://echa.europa.eu/substance-information/-/substanceinfo/100.095.567,KWDDKEHJCYJOLX-UHFFFAOYSA-N,,,,,,,,,,,
100.095.574,305-178-6,94349-59-4,1-(8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl)ethyl acetate,1-(8-isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl)ethyl acetate,CC(C)C1CC2C(CC1C=C2C)C(C)OC(=O)C,CC(C)C1CC2C(CC1C=C2C)C(C)OC(=O)C,"InChI=1/C16H26O2/c1-9(2)14-8-15-10(3)6-13(14)7-16(15)11(4)18-12(5)17/h6,9,11,13-16H,7-8H2,1-5H3",C16H26O2,,,,,,FBJZZRLZTRJKPC-UHFFFAOYSA-N,,,,,,,,,,,
100.098.911,308-862-2,98690-29-0,"1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bisimidazolidine-2,4-dione","1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)diimidazolidine-2,4-dione",O=C1CN(CCNCCNCCNCCNCCN2CC(=O)NC2=O)C(=O)N1,O=C1CN(CCNCCNCCNCCNCCN2CC(=O)NC2=O)C(=O)N1,"InChI=1/C16H30N8O4/c25-13-11-23(15(27)21-13)9-7-19-5-3-17-1-2-18-4-6-20-8-10-24-12-14(26)22-16(24)28/h17-20H,1-12H2,(H,21,25,27)(H,22,26,28)",C16H30N8O4,,,,,,WCHMXXBKHJJRID-UHFFFAOYSA-N,,,,,,,,,,,
100.098.919,308-871-1,98841-55-5,"Formic acid, vanadium salt",-,[V+2].[O-]C=O,[V+2].[O-]C=O,"InChI=1/CH2O2.V/c2-1-3;/h1H,(H,2,3);/q;+2/p-1",CH2O2.xV,,,,,,CRHXOPJKIQWSIY-UHFFFAOYSA-M,,,,,,,,,,,
100.098.960,308-916-5,99035-50-4,"Sodium 5-oxo-L-prolinate, compound with methylsilanetriol (1:1)",sodium 5-oxopyrrolidine-2-carboxylate - methylsilanetriol (1:1),[Na+].C[Si](O)(O)O.[O-]C(=O)[C@@H]1CCC(=O)N1,[Na+].C[Si](O)(O)O.[O-]C(=O)[C@@H]1CCC(=O)N1,"InChI=1/C5H7NO3.CH6O3Si.Na/c7-4-2-1-3(6-4)5(8)9;1-5(2,3)4;/h3H,1-2H2,(H,6,7)(H,8,9);2-4H,1H3;/q;;+1/p-1",C5H7NO3.CH6O3Si.Na,,,,,,UQCYJXJDVRKOCP-QTNFYWBSSA-M,,,,,,,,,,,
100.095.384,304-969-3,94313-71-0,Ammonium 1-carboxylatoethyl oleate,ammonium 2-(oleoyloxy)propanoate,[NH4+].CCCCCCCC\\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-],[NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-],"InChI=1/C21H38O4.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);1H3",C21H38O4.H3N,,,,,,DNYVIYQZSALBTQ-GMFCBQQYSA-N,,,,,,,,,,,
100.095.387,304-973-5,94313-74-3,Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate,ammonium 2-{[2-(stearoyloxy)propanoyl]oxy}propanoate,[NH4+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],[NH4+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-],"InChI=1/C24H44O6.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h20-21H,4-19H2,1-3H3,(H,26,27);1H3",C24H44O6.H3N,,,,,,VCERRNPXCNTYQK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.390,304-976-1,94313-77-6,"Hydrogen 9-[(2-methoxyphenyl)amino]-7-phenyl-5-(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with cyclohexanamine (1:1)","hydrogen 5-anilino-9-[(2-methoxyphenyl)amino]-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate - cyclohexanamine (1:1)",COc1ccccc1Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-].NC8CCCCC8,COc1ccccc1Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-].NC8CCCCC8,"InChI=1/C35H26N4O7S2.C6H13N/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23;7-6-4-2-1-3-5-6/h2-21H,1H3,(H3,36,37,40,41,42,43,44,45);6H,1-5,7H2/p-1",C35H26N4O7S2.C6H13N,,,,,,MKSQGOOYZDGETB-UHFFFAOYSA-M,,,,,,,,,,,
100.095.391,304-977-7,94313-78-7,"Hydrogen 9-[(2-methoxyphenyl)amino]-7-phenyl-5-(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with N,N'-bis(m-tolyl)guanidine (1:1)","hydrogen 5-anilino-9-[(2-methoxyphenyl)amino]-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate - 1,3-bis(3-methylphenyl)guanidine (1:1)",COc1ccccc1Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-].Cc8cccc(NC(=N)Nc9cccc(C)c9)c8,COc1ccccc1Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-].Cc8cccc(NC(=N)Nc9cccc(C)c9)c8,"InChI=1/C35H26N4O7S2.C15H17N3/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23;1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h2-21H,1H3,(H3,36,37,40,41,42,43,44,45);3-10H,1-2H3,(H3,16,17,18)/p-1",C35H26N4O7S2.C15H17N3,,,,,,WXQXYJHALOFDIK-UHFFFAOYSA-M,,,,,,,,,,,
100.095.395,304-981-9,94313-82-3,1-[(2-ethoxyethyl)amino]-4-hydroxyanthraquinone,"1-[(2-ethoxyethyl)amino]-4-hydroxy-9,10-anthraquinone",CCOCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,CCOCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C18H17NO4/c1-2-23-10-9-19-13-7-8-14(20)16-15(13)17(21)11-5-3-4-6-12(11)18(16)22/h3-8,19-20H,2,9-10H2,1H3",C18H17NO4,,,,,,GODGYFLEIWJTOK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.396,304-982-4,94313-83-4,1-[(2-butoxyethyl)amino]-4-hydroxyanthraquinone,"1-[(2-butoxyethyl)amino]-4-hydroxy-9,10-anthraquinone",CCCCOCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,CCCCOCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,"InChI=1/C20H21NO4/c1-2-3-11-25-12-10-21-15-8-9-16(22)18-17(15)19(23)13-6-4-5-7-14(13)20(18)24/h4-9,21-22H,2-3,10-12H2,1H3",C20H21NO4,,,,,,VZCZOEKMIQRLJI-UHFFFAOYSA-N,,,,,,,,,,,
100.097.149,306-914-9,97467-66-8,"3,6,9,12,15,18-hexaoxaicosane-1,20-diyl distearate","22-oxo-3,6,9,12,15,18,21-heptaoxanonatriacont-1-yl stearate (non-preferred name)",CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C50H98O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(51)59-47-45-57-43-41-55-39-37-53-35-36-54-38-40-56-42-44-58-46-48-60-50(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3",C50H98O10,,,,,,UIXPZXWQZJBLMD-UHFFFAOYSA-N,,,,,,,,,,,
100.097.156,306-922-2,97467-74-8,[5-[[(2-ammonioethyl)thio]methyl]furfuryl]dimethylammonium oxalate,2-[({5-[(dimethylammonio)methyl]-2-furyl}methyl)sulfanyl]ethanaminium oxalate,C[NH+](C)Cc1oc(CSCC[NH3+])cc1.[O-]C(=O)C(=O)[O-],C[NH+](C)Cc1oc(CSCC[NH3+])cc1.[O-]C(=O)C(=O)[O-],"InChI=1/C10H18N2OS.C2H2O4/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11;3-1(4)2(5)6/h3-4H,5-8,11H2,1-2H3;(H,3,4)(H,5,6)",C10H18N2OS.C2H2O4,,,,,,WRLHGMJMXYLANM-UHFFFAOYSA-N,,,,,,,,,,,
100.100.126,310-213-3,103749-25-3,"Perchlorate of 5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium","5-{[4-(dimethylamino)phenyl]diazenyl}-1,4-dimethyl-4H-1,2,4-triazol-1-ium perchlorate",Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.[O-]Cl(=O)(=O)=O,Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.[O-]Cl(=O)(=O)=O,"InChI=1/C12H17N6.ClHO4/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;2-1(3,4)5/h5-9H,1-4H3;(H,2,3,4,5)/q+1;/p-1",-,,,,,,FGCNCTUUYBORNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.100.127,310-214-9,103749-26-4,"5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium tetrafluoroborate (1-)","5-{[4-(dimethylamino)phenyl]diazenyl}-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium tetrafluoroborate",CN2/C=N\\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.F[B-](F)(F)F,CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.F[B-](F)(F)F,"InChI=1/C12H18N6.BF4/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;2-1(3,4)5/h5-9,12H,1-4H3;/q;-1/p+1",C12H17N6.BF4,,,,,,BEVQJAFJTOQIDU-UHFFFAOYSA-O,,,,,,,,,,,
100.095.399,304-986-6,94313-86-7,"4-methylpyridine-2,5-diamine dihydrochloride","4-methylpyridine-2,5-diamine dihydrochloride",Cl.Cl.Cc1cc(N)ncc1N,Cl.Cl.Cc1cc(N)ncc1N,"InChI=1/C6H9N3.2ClH/c1-4-2-6(8)9-3-5(4)7;;/h2-3H,7H2,1H3,(H2,8,9);2*1H",C6H9N3.2ClH,,,,,,DYBRYWXZWHGVRL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.428,305-018-5,94333-40-1,"1-[2,4-dimethyl-2-(isobutyl)-1-oxopentyl]pyrrolidine","1-(2-isobutyl-2,4-dimethylpentanoyl)pyrrolidine",CC(C)CC(C)(CC(C)C)C(=O)N1CCCC1,CC(C)CC(C)(CC(C)C)C(=O)N1CCCC1,"InChI=1/C15H29NO/c1-12(2)10-15(5,11-13(3)4)14(17)16-8-6-7-9-16/h12-13H,6-11H2,1-5H3",C15H29NO,,,,,,LMXPSAJVSIPGBP-UHFFFAOYSA-N,,,,,,,,,,,
100.095.433,305-023-2,94333-45-6,"Lactic acid, compound with [2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]amine","2-hydroxypropanoic acid - 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethanamine (1:1)",CCCCCCCCCCCCCCCCCC1=NCCN1CCN.CC(O)C(=O)O,CCCCCCCCCCCCCCCCCC1=NCCN1CCN.CC(O)C(=O)O,"InChI=1/C22H45N3.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;1-2(4)3(5)6/h2-21,23H2,1H3;2,4H,1H3,(H,5,6)",C22H45N3.xC3H6O3,,,,,,UYKRTJXZJJWKHT-UHFFFAOYSA-N,,,,,,,,,,,
100.097.216,306-988-2,97468-35-4,"Tricosanoic acid, barium salt, basic",-,[Ba+2].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],[Ba+2].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C23H46O2.Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2-22H2,1H3,(H,24,25);/q;+2/p-1",-,,,,,,DBYKSWWSZNEOCR-UHFFFAOYSA-M,,,,,,,,,,,
100.095.441,305-032-1,94333-53-6,1-[(7-bromo-3-hydroxy-2-naphthyl)carbonyl]-4-methylpiperazinium chloride,1-(7-bromo-3-hydroxy-2-naphthoyl)-4-methylpiperazin-1-ium chloride,[Cl-].CN1CC[NH+](CC1)C(=O)c2cc3cc(Br)ccc3cc2O,[Cl-].CN1CC[NH+](CC1)C(=O)c2cc3cc(Br)ccc3cc2O,"InChI=1/C16H17BrN2O2.ClH/c1-18-4-6-19(7-5-18)16(21)14-9-12-8-13(17)3-2-11(12)10-15(14)20;/h2-3,8-10,20H,4-7H2,1H3;1H",C16H17BrN2O2.ClH,,,,,,FETNXPCOICCNAD-UHFFFAOYSA-N,,,,,,,,,,,
100.095.443,305-034-2,94333-55-8,"Bis[2-(methacryloyloxy)ethyl] 5,7,7,24,24,26-hexamethyl-10,21-dioxo-11,14,17,20-tetraoxa-2,9,22,29-tetraazatriacontanedioate","8,10,10,27,27,29,39-heptamethyl-4,13,24,33,38-pentaoxo-3,14,17,20,23,34,37-heptaoxa-5,12,25,32-tetraazatetracont-39-en-1-yl methacrylate (non-preferred name)",CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOCCOCCOC(=O)NCC(C)(C)CC(C)CCNC(=O)OCCOC(=O)C(=C)C,CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOCCOCCOC(=O)NCC(C)(C)CC(C)CCNC(=O)OCCOC(=O)C(=C)C,"InChI=1/C40H70N4O14/c1-29(2)33(45)53-21-23-57-35(47)41-13-11-31(5)25-39(7,8)27-43-37(49)55-19-17-51-15-16-52-18-20-56-38(50)44-28-40(9,10)26-32(6)12-14-42-36(48)58-24-22-54-34(46)30(3)4/h31-32H,1,3,11-28H2,2,4-10H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)",C40H70N4O14,,,,,,SSYMTHGEWTYMCS-UHFFFAOYSA-N,,,,,,,,,,,
100.095.451,305-043-1,94333-63-8,"Sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulphonate","sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate",[Na+].[O-]S(=O)(=O)c1ccccc1C(c2cc(C)c(O)c(Br)c2)=C/3/C=C(/C)C(=O)C(\\Br)=C\\3,[Na+].[O-]S(=O)(=O)c1ccccc1C(c2cc(C)c(O)c(Br)c2)=C/3/C=C(/C)C(=O)C(\Br)=C\3,"InChI=1/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1",C21H16Br2O5S.Na,,,,,,KVSJYIXUWNOWBD-UHFFFAOYSA-M,,,,,,,,,,,
100.095.452,305-044-7,94333-64-9,Diethylammonium myristate,N-ethylethanaminium myristate,CCCCCCCCCCCCCC(=O)[O-].CC[NH2+]CC,CCCCCCCCCCCCCC(=O)[O-].CC[NH2+]CC,"InChI=1/C14H28O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-3-5-4-2/h2-13H2,1H3,(H,15,16);5H,3-4H2,1-2H3",C14H28O2.C4H11N,,,,,,KPGHZILWDLGBSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.453,305-045-2,94333-65-0,"Lauric acid, compound with diethylamine (1:1)",dodecanoic acid - N-ethylethanamine (1:1),CCCCCCCCCCCC(=O)O.CCNCC,CCCCCCCCCCCC(=O)O.CCNCC,"InChI=1/C12H24O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-4-2/h2-11H2,1H3,(H,13,14);5H,3-4H2,1-2H3",C12H24O2.C4H11N,,,,,,DXOLVFJLHGXXGK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.454,305-046-8,94333-66-1,(Z)-hex-3-enyl 2-(acetylamino)benzoate,hex-3-en-1-yl 2-acetamidobenzoate,CC\\C=C/CCOC(=O)c1ccccc1NC(=O)C,CC\C=C/CCOC(=O)c1ccccc1NC(=O)C,"InChI=1/C15H19NO3/c1-3-4-5-8-11-19-15(18)13-9-6-7-10-14(13)16-12(2)17/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,17)",C15H19NO3,,,,,,SSWSYYMGBHCUHC-PLNGDYQASA-N,,,,,,,,,,,
100.097.004,306-755-5,97403-92-4,1-bicyclo[2.2.1]hept-5-en-2-yl-4-hydroxybutan-2-one,1-bicyclo[2.2.1]hept-5-en-2-yl-4-hydroxybutan-2-one,OCCC(=O)CC1CC2CC1C=C2,OCCC(=O)CC1CC2CC1C=C2,"InChI=1/C11H16O2/c12-4-3-11(13)7-10-6-8-1-2-9(10)5-8/h1-2,8-10,12H,3-7H2",C11H16O2,,,,,,IOURLUJNIODGHH-UHFFFAOYSA-N,,,,,,,,,,,
100.097.009,306-760-2,97403-98-0,Sodium 1-(2-methylpropyl) 9-(sulphooxy)octadecanoate,-,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O,[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O,"InChI=1/C22H44O6S.Na/c1-4-5-6-7-8-10-13-16-21(28-29(24,25)26)17-14-11-9-12-15-18-22(23)27-19-20(2)3;/h20-21H,4-19H2,1-3H3,(H,24,25,26);/q;+1",C22H44O6S.Na,,,,,,VKEMWFFAOFSIJU-UHFFFAOYSA-N,,,,,,,,,,,
100.097.014,306-766-5,97404-03-0,"Disodium 4-amino-5-hydroxy-6-[[4-methyl-3-[(phenylamino)sulphonyl]phenyl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-6-{[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl}-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(C)c(c3)S(=O)(=O)Nc4ccccc4)c5O)S([O-])(=O)=O,[Na+].[Na+].[O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(C)c(c3)S(=O)(=O)Nc4ccccc4)c5O)S([O-])(=O)=O,"InChI=1/C29H23N7O11S3.2Na/c1-16-7-8-20(15-22(16)48(40,41)35-19-5-3-2-4-6-19)32-34-28-24(50(45,46)47)14-17-13-23(49(42,43)44)27(26(30)25(17)29(28)37)33-31-18-9-11-21(12-10-18)36(38)39;;/h2-15,35,37H,30H2,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",C29H23N7O11S3.2Na,,,,,,GVOJUFDHZABFRL-UHFFFAOYSA-L,,,,,,,,,,,
100.097.019,306-771-2,97404-08-5,"23-methyl-3,6,9,12,15-pentaoxatetracosan-1-ol","23-methyl-3,6,9,12,15-pentaoxatetracosan-1-ol",CC(C)CCCCCCCOCCOCCOCCOCCOCCO,CC(C)CCCCCCCOCCOCCOCCOCCOCCO,"InChI=1/C20H42O6/c1-20(2)8-6-4-3-5-7-10-22-12-14-24-16-18-26-19-17-25-15-13-23-11-9-21/h20-21H,3-19H2,1-2H3",C20H42O6,,,,,,PUJVHDGLFNDWDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.024,306-777-5,97404-13-2,"1-[(2-aminoethyl)amino]anthraquinone, monohydrochloride","1-[(2-aminoethyl)amino]-9,10-anthraquinone hydrochloride",Cl.NCCNc1cccc2C(=O)c3ccccc3C(=O)c12,Cl.NCCNc1cccc2C(=O)c3ccccc3C(=O)c12,"InChI=1/C16H14N2O2.ClH/c17-8-9-18-13-7-3-6-12-14(13)16(20)11-5-2-1-4-10(11)15(12)19;/h1-7,18H,8-9,17H2;1H",C16H14N2O2.ClH,,,,,,WYTHYWAAQAHLGD-UHFFFAOYSA-N,,,,,,,,,,,
100.095.293,304-870-5,94291-46-0,"2,3,4,5,6,7-hexahydro-4-isopropyl-2,7-dimethyl-1H-inden-1-one","4-isopropyl-2,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-1-one",CC(C)C1CCC(C)C2=C1CC(C)C2=O,CC(C)C1CCC(C)C2=C1CC(C)C2=O,"InChI=1/C14H22O/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(13)15/h8-11H,5-7H2,1-4H3",C14H22O,,,,,,LLSSPTISLIDNTK-UHFFFAOYSA-N,,,,,,,,,,,
100.095.296,304-873-1,94291-49-3,o-(isopentyloxy)anisole,1-methoxy-2-(3-methylbutoxy)benzene,COc1ccccc1OCCC(C)C,COc1ccccc1OCCC(C)C,"InChI=1/C12H18O2/c1-10(2)8-9-14-12-7-5-4-6-11(12)13-3/h4-7,10H,8-9H2,1-3H3",C12H18O2,,,,,,XKBYPOKPAZUNSO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.299,304-876-8,94291-52-8,"ß,3,3-trimethylbicyclo[2.2.1]heptane-2-propanol","3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-methylpropan-1-ol",CC(CO)CC1C2CCC(C2)C1(C)C,CC(CO)CC1C2CCC(C2)C1(C)C,"InChI=1/C13H24O/c1-9(8-14)6-12-10-4-5-11(7-10)13(12,2)3/h9-12,14H,4-8H2,1-3H3",C13H24O,,,,,,YOXKTNCHPWZYJH-UHFFFAOYSA-N,,,,,,,,,,,
100.095.300,304-877-3,94291-53-9,"2-[(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl]tetrahydrofuran","2-[(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl]tetrahydrofuran",CC1(C)C2CCC(C2)C1CC3CCCO3,CC1(C)C2CCC(C2)C1CC3CCCO3,"InChI=1/C14H24O/c1-14(2)11-6-5-10(8-11)13(14)9-12-4-3-7-15-12/h10-13H,3-9H2,1-2H3",C14H24O,,,,,,JAQWRJSKYYUTQT-UHFFFAOYSA-N,,,,,,,,,,,
100.095.309,304-887-8,94291-62-0,"N-(5,11-dihydro-5-methyl-10H-dibenz[b,f]azepin-10-ylidene)methylamine","N-(5-methyl-5,11-dihydro-10H-dibenzo[b,f]azepin-10-ylidene)methanamine",CN=C2Cc1ccccc1N(C)c3ccccc23,CN=C2Cc1ccccc1N(C)c3ccccc23,"InChI=1/C16H16N2/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16/h3-10H,11H2,1-2H3",C16H16N2,,,,,,GBGAKVVPCIFCRS-UHFFFAOYSA-N,,,,,,,,,,,
100.095.311,304-889-9,94291-64-2,"10,11-dihydro-N,5-dimethyl-5H-dibenz[b,f]azepin-10-amine oxalate","N,5-dimethyl-10,11-dihydro-5H-dibenzo[b,f]azepin-10-amine oxalate",CNC1Cc2ccccc2N(C)c3ccccc13.OC(=O)C(=O)O,CNC1Cc2ccccc2N(C)c3ccccc13.OC(=O)C(=O)O,"InChI=1/C16H18N2.C2H2O4/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16;3-1(4)2(5)6/h3-10,14,17H,11H2,1-2H3;(H,3,4)(H,5,6)",C16H18N2.C2H2O4,,,,,,USTLUBMTLHVUHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.312,304-890-4,94291-65-3,"3,3-bis(methylthio)butan-2-one oxime","3,3-bis(methylsulfanyl)butan-2-one oxime",CC(SC)(SC)C(C)=NO,CC(SC)(SC)C(C)=NO,"InChI=1/C6H13NOS2/c1-5(7-8)6(2,9-3)10-4/h8H,1-4H3",C6H13NOS2,,,,,,OCKMYMYYFVZHNS-UHFFFAOYSA-N,,,,,,,,,,,
100.095.313,304-892-5,94291-66-4,3-[tris(octyloxy)silyl]propanethiol,3-[tris(octyloxy)silyl]propane-1-thiol,CCCCCCCCO[Si](CCCS)(OCCCCCCCC)OCCCCCCCC,CCCCCCCCO[Si](CCCS)(OCCCCCCCC)OCCCCCCCC,"InChI=1/C27H58O3SSi/c1-4-7-10-13-16-19-23-28-32(27-22-26-31,29-24-20-17-14-11-8-5-2)30-25-21-18-15-12-9-6-3/h31H,4-27H2,1-3H3",C27H58O3SSi,,,,,,WEPFXPXOMFVBDZ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.315,304-894-6,94291-68-6,4-[3-(methoxydimethylsilyl)propyl]morpholine,4-{3-[methoxy(dimethyl)silyl]propyl}morpholine,CO[Si](C)(C)CCCN1CCOCC1,CO[Si](C)(C)CCCN1CCOCC1,"InChI=1/C10H23NO2Si/c1-12-14(2,3)10-4-5-11-6-8-13-9-7-11/h4-10H2,1-3H3",C10H23NO2Si,,,,,,XCIZKWHITTXMIV-UHFFFAOYSA-N,,,,,,,,,,,
100.095.316,304-895-1,94291-69-7,(3-carboxy-2-oxopropyl)trimethylammonium chloride,"3-carboxy-N,N,N-trimethyl-2-oxopropan-1-aminium chloride",[Cl-].C[N+](C)(C)CC(=O)CC(=O)O,[Cl-].C[N+](C)(C)CC(=O)CC(=O)O,"InChI=1/C7H13NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h4-5H2,1-3H3;1H",C7H14NO3.Cl,,,,,,ARJSRFNLTQWYDA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.317,304-896-7,94291-70-0,Bis(o-chlorobenzylammonium) sulphate,bis[(2-chlorophenyl)methanaminium] sulfate,[NH3+]Cc1ccccc1Cl.[NH3+]Cc2ccccc2Cl.[O-]S(=O)(=O)[O-],[NH3+]Cc1ccccc1Cl.[NH3+]Cc2ccccc2Cl.[O-]S(=O)(=O)[O-],"InChI=1/2C7H8ClN.H2O4S/c2*8-7-4-2-1-3-6(7)5-9;1-5(2,3)4/h2*1-4H,5,9H2;(H2,1,2,3,4)",C7H8ClN.1/2H2O4S,,,,,,DJWKZSHLLUJTHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.755,305-377-8,94481-50-2,"Disodium 2,2'-methylenebisnaphthalenesulphonate","disodium 2,2'-methylenedinaphthalene-1-sulfonate",[Na+].[Na+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14,[Na+].[Na+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14,"InChI=1/C21H16O6S2.2Na/c22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27;;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",C21H16O6S2.2Na,,,,,,DWHOIYXAMUMQTI-UHFFFAOYSA-L,,,,,,,,,,,
100.097.030,306-783-8,97404-20-1,Terbium tribromate,terbium(3+) tribromate,[Tb+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Tb+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Tb/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Tb,,,,,,FTLGFABXSOGVOH-UHFFFAOYSA-K,,,,,,,,,,,
100.097.067,306-825-5,97416-77-8,"2-(hydroxymethyl)-2-(oxazolidin-2-yl)propane-1,3-diol","2-(hydroxymethyl)-2-(1,3-oxazolidin-2-yl)propane-1,3-diol",OCC(CO)(CO)C1NCCO1,OCC(CO)(CO)C1NCCO1,"InChI=1/C7H15NO4/c9-3-7(4-10,5-11)6-8-1-2-12-6/h6,8-11H,1-5H2",C7H15NO4,,,,,,WLZNNRXZWUUMGD-UHFFFAOYSA-N,,,,,,,,,,,
100.097.068,306-826-0,97416-78-9,"4-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","4-[(4-chlorophenyl)sulfanyl]-11-methyl-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one",Cc1ccc2c(c1)nc3c4cccc5c(Sc6ccc(Cl)cc6)ccc(C(=O)n23)c45,Cc1ccc2c(c1)nc3c4cccc5c(Sc6ccc(Cl)cc6)ccc(C(=O)n23)c45,"InChI=1/C25H15ClN2OS/c1-14-5-11-21-20(13-14)27-24-18-4-2-3-17-22(30-16-8-6-15(26)7-9-16)12-10-19(23(17)18)25(29)28(21)24/h2-13H,1H3",C25H15ClN2OS,,,,,,SDEFOKDRSRTRMA-UHFFFAOYSA-N,,,,,,,,,,,
100.098.842,308-785-4,98510-77-1,3-[3-hydroxy(2-methylpropoxy)phenyl]acrylic acid,3-(3-hydroxy-2-isobutoxyphenyl)acrylic acid,CC(C)COc1c(O)cccc1\\C=C\\C(=O)O,CC(C)COc1c(O)cccc1\C=C\C(=O)O,"InChI=1/C13H16O4/c1-9(2)8-17-13-10(6-7-12(15)16)4-3-5-11(13)14/h3-7,9,14H,8H2,1-2H3,(H,15,16)",C13H16O4,,,,,,BQRGGTQFOMQAOW-VOTSOKGWSA-N,,,,,,,,,,,
100.098.845,308-789-6,98510-80-6,"9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium acetate","9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate",COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1.CC(=O)[O-],COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1.CC(=O)[O-],"InChI=1/C19H18N2O.C2H4O2/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;1-2(3)4/h5-10H,1-4H3;1H3,(H,3,4)",C19H19N2O.C2H3O2,,,,,,YNZAJSGICHACDH-UHFFFAOYSA-N,,,,,,,,,,,
100.098.848,308-792-2,98510-84-0,"sec-butyl isobutyl hydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:1)",sec-butyl isobutyl hydrogen phosphate - 2-ethyl-N-(2-ethylhexyl)hexan-1-amine (1:1),CCCCC(CC)CNCC(CC)CCCC.CCC(C)OP(=O)(O)OCC(C)C,CCCCC(CC)CNCC(CC)CCCC.CCC(C)OP(=O)(O)OCC(C)C,"InChI=1/C16H35N.C8H19O4P/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-5-8(4)12-13(9,10)11-6-7(2)3/h15-17H,5-14H2,1-4H3;7-8H,5-6H2,1-4H3,(H,9,10)",C16H35N.C8H19O4P,,,,,,SVUXDVCNCPFBQO-UHFFFAOYSA-N,,,,,,,,,,,
100.095.322,304-901-2,94291-75-5,"Bis(2-hydroxyethyl)ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl) phosphate","2-hydroxy-N-(2-hydroxyethyl)ethanaminium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl) phosphate",OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C32H9F58O4P.C4H11NO2/c33-5(34,7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)25(73,74)27(77,78)29(81,82)31(85,86)87)1-3-93-95(91,92)94-4-2-6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(71,72)26(75,76)28(79,80)30(83,84)32(88,89)90;6-3-1-5-2-4-7/h1-4H2,(H,91,92);5-7H,1-4H2",C32H9F58O4P.C4H11NO2,,,,,,IKMZFDJIIBQZFQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.325,304-904-9,94291-78-8,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] hydrogen phosphate - 2,2'-iminodiethanol (1:1)",OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C26H9F46O4P.C4H11NO2/c27-5(28,9(33,34)13(41,42)17(49,50)21(57,58)19(53,54)15(45,46)11(37,38)7(31,23(61,62)63)24(64,65)66)1-3-75-77(73,74)76-4-2-6(29,30)10(35,36)14(43,44)18(51,52)22(59,60)20(55,56)16(47,48)12(39,40)8(32,25(67,68)69)26(70,71)72;6-3-1-5-2-4-7/h1-4H2,(H,73,74);5-7H,1-4H2",C26H9F46O4P.C4H11NO2,,,,,,NVEVDAOYRBYRNN-UHFFFAOYSA-N,,,,,,,,,,,
100.095.327,304-907-5,94291-80-2,"2,3,5-trimethyl-4-phenyltetrahydrofuran","2,3,5-trimethyl-4-phenyltetrahydrofuran",CC1OC(C)C(C1C)c2ccccc2,CC1OC(C)C(C1C)c2ccccc2,"InChI=1/C13H18O/c1-9-10(2)14-11(3)13(9)12-7-5-4-6-8-12/h4-11,13H,1-3H3",C13H18O,,,,,,AHURUFWASMODST-UHFFFAOYSA-N,,,,,,,,,,,
100.095.332,304-912-2,94291-85-7,[2-[(1-methoxyundecyl)oxy]ethyl]benzene,{2-[(1-methoxyundecyl)oxy]ethyl}benzene,CCCCCCCCCCC(OC)OCCc1ccccc1,CCCCCCCCCCC(OC)OCCc1ccccc1,"InChI=1/C20H34O2/c1-3-4-5-6-7-8-9-13-16-20(21-2)22-18-17-19-14-11-10-12-15-19/h10-12,14-15,20H,3-9,13,16-18H2,1-2H3",C20H34O2,,,,,,VTIBZGRHIAXWGL-UHFFFAOYSA-N,,,,,,,,,,,
100.095.334,304-914-3,94291-87-9,"1-[(3,7-dimethyloct-6-enyl)oxy]-1-methoxyundecane","1-[(3,7-dimethyloct-6-en-1-yl)oxy]-1-methoxyundecane",CCCCCCCCCCC(OC)OCCC(C)CCC=C(C)C,CCCCCCCCCCC(OC)OCCC(C)CCC=C(C)C,"InChI=1/C22H44O2/c1-6-7-8-9-10-11-12-13-17-22(23-5)24-19-18-21(4)16-14-15-20(2)3/h15,21-22H,6-14,16-19H2,1-5H3",C22H44O2,,,,,,IRJKWMJAESWGCA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.337,304-918-5,94291-90-4,Bis[2-(octadecyloxy)ethyl] N-(1-oxododecyl)-L-glutamate,bis[2-(octadecyloxy)ethyl] N-dodecanoyl-L-glutamate,CCCCCCCCCCCCCCCCCCOCCOC(=O)CC[C@H](NC(=O)CCCCCCCCCCC)C(=O)OCCOCCCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCCOCCOC(=O)CC[C@H](NC(=O)CCCCCCCCCCC)C(=O)OCCOCCCCCCCCCCCCCCCCCC,"InChI=1/C57H111NO7/c1-4-7-10-13-16-19-21-23-25-27-29-31-34-37-40-43-48-62-50-52-64-56(60)47-46-54(58-55(59)45-42-39-36-33-18-15-12-9-6-3)57(61)65-53-51-63-49-44-41-38-35-32-30-28-26-24-22-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3,(H,58,59)",C57H111NO7,,,,,,FIOKKCLOOBYBKU-XSMLMOGHSA-N,,,,,,,,,,,
100.095.338,304-919-0,94291-91-5,3-chlorohexahydro-3-methyl-3H-benzofuran-2-one,3-chloro-3-methylhexahydro-1-benzofuran-2(3H)-one,CC1(Cl)C2CCCCC2OC1=O,CC1(Cl)C2CCCCC2OC1=O,"InChI=1/C9H13ClO2/c1-9(10)6-4-2-3-5-7(6)12-8(9)11/h6-7H,2-5H2,1H3",C9H13ClO2,,,,,,CBIKLWCRTLLKFI-UHFFFAOYSA-N,,,,,,,,,,,
100.095.342,304-923-2,94291-95-9,"2-chloro-1,1-bis(2-methoxyethoxy)ethane","6-(chloromethyl)-2,5,7,10-tetraoxaundecane",COCCOC(CCl)OCCOC,COCCOC(CCl)OCCOC,"InChI=1/C8H17ClO4/c1-10-3-5-12-8(7-9)13-6-4-11-2/h8H,3-7H2,1-2H3",C8H17ClO4,,,,,,SUBSHCJSKRMLPQ-UHFFFAOYSA-N,,,,,,,,,,,
100.095.350,304-932-1,94292-03-2,2-[3-[4-(methylthio)benzoyl]phenyl]propionic acid,2-{3-[4-(methylsulfanyl)benzoyl]phenyl}propanoic acid,CSc1ccc(cc1)C(=O)c2cccc(c2)C(C)C(=O)O,CSc1ccc(cc1)C(=O)c2cccc(c2)C(C)C(=O)O,"InChI=1/C17H16O3S/c1-11(17(19)20)13-4-3-5-14(10-13)16(18)12-6-8-15(21-2)9-7-12/h3-11H,1-2H3,(H,19,20)",C17H16O3S,,,,,,UFDXUEHTMZBRTA-UHFFFAOYSA-N,,,,,,,,,,,
100.095.771,305-395-6,94481-68-2,1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl (E)-9-octadecenoate,2-(palmitoyloxy)-1-[(stearoyloxy)methyl]ethyl octadec-9-enoate,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\\C=C\\CCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC,"InChI=1/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3",C55H104O6,,,,,,QXPXMOHHFYONAC-BYCLXTJYSA-N,,,,,,,,,,,
100.095.774,305-398-2,94481-71-7,"Methyl 7-[2-(5-cyclohexyl-4-fluoro-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoate","methyl 7-[2-(5-cyclohexyl-4-fluoro-3-hydroxypent-1-yn-1-yl)-3,5-dihydroxycyclopentyl]hept-5-enoate",OC2CC(O)C(C#CC(O)C(F)CC1CCCCC1)C2CC=CCCCC(=O)OC,OC2CC(O)C(C#CC(O)C(F)CC1CCCCC1)C2CC=CCCCC(=O)OC,"InChI=1/C24H37FO5/c1-30-24(29)12-8-3-2-7-11-18-19(23(28)16-22(18)27)13-14-21(26)20(25)15-17-9-5-4-6-10-17/h2,7,17-23,26-28H,3-6,8-12,15-16H2,1H3",C24H37FO5,,,,,,HWMRWBDFNNCFJE-UHFFFAOYSA-N,,,,,,,,,,,
100.097.071,306-829-7,97416-81-4,"3-[(4-chlorophenyl)thio]-10-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","3-[(4-chlorophenyl)sulfanyl]-10-methyl-7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one",Cc1ccc2nc3c4ccc(Sc5ccc(Cl)cc5)c6cccc(C(=O)n3c2c1)c46,Cc1ccc2nc3c4ccc(Sc5ccc(Cl)cc5)c6cccc(C(=O)n3c2c1)c46,"InChI=1/C25H15ClN2OS/c1-14-5-11-20-21(13-14)28-24(27-20)18-10-12-22(30-16-8-6-15(26)7-9-16)17-3-2-4-19(23(17)18)25(28)29/h2-13H,1H3",C25H15ClN2OS,,,,,,OYMNNEJVISLWKF-UHFFFAOYSA-N,,,,,,,,,,,
100.097.074,306-832-3,97416-84-7,"1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]","1,1'-propane-2,2-diylbis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]",CC(Br)(CBr)COc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OCC(C)(Br)CBr)c(Br)c2,CC(Br)(CBr)COc1c(Br)cc(cc1Br)C(C)(C)c2cc(Br)c(OCC(C)(Br)CBr)c(Br)c2,"InChI=1/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3",C23H24Br8O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15903,https://echa.europa.eu/substance-information/-/substanceinfo/100.097.074,IYOVSGHZOIZSDC-UHFFFAOYSA-N,,,,,,,,,,,
100.097.085,306-844-9,97416-95-0,[2-chloro-1-(3-chloro-4-hydroxyphenyl)-2-oxoethyl]ammonium chloride,2-chloro-1-(3-chloro-4-hydroxyphenyl)-2-oxoethanaminium chloride,[Cl-].[NH3+]C(C(=O)Cl)c1ccc(O)c(Cl)c1,[Cl-].[NH3+]C(C(=O)Cl)c1ccc(O)c(Cl)c1,"InChI=1/C8H7Cl2NO2.ClH/c9-5-3-4(1-2-6(5)12)7(11)8(10)13;/h1-3,7,12H,11H2;1H",C8H7Cl2NO2.ClH,,,,,,WAQZLMDGZJOXJG-UHFFFAOYSA-N,,,,,,,,,,,
100.097.089,306-849-6,97417-00-0,"2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(methoxymethyl)propane-1,3-diol","2-{[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl}-2-(methoxymethyl)propane-1,3-diol",COCC(CO)(CO)COCC(CO)(CO)CO,COCC(CO)(CO)COCC(CO)(CO)CO,"InChI=1/C11H24O7/c1-17-7-11(5-15,6-16)9-18-8-10(2-12,3-13)4-14/h12-16H,2-9H2,1H3",C11H24O7,,,,,,NEOLZRRZILOFCB-UHFFFAOYSA-N,,,,,,,,,,,
100.097.090,306-850-1,97417-01-1,"4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid","4-[(5-{[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino}-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",CCCCc1ccc(cc1)Oc2nc(Cl)nc(n2)Nc5cc(N=NC4\\C(=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)C(O)=O)c(cc5)S(O)(=O)=O,CCCCc1ccc(cc1)Oc2nc(Cl)nc(n2)Nc5cc(N=NC4\C(=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)C(O)=O)c(cc5)S(O)(=O)=O,"InChI=1/C29H25ClN8O10S2/c1-2-3-4-16-5-10-19(11-6-16)48-29-33-27(30)32-28(34-29)31-17-7-14-22(50(45,46)47)21(15-17)35-36-23-24(26(40)41)37-38(25(23)39)18-8-12-20(13-9-18)49(42,43)44/h5-15,23H,2-4H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34)",C29H25ClN8O10S2,,,,,,WKJKXNDKRUONHJ-UHFFFAOYSA-N,,,,,,,,,,,
100.097.092,306-852-2,97434-75-8,"6,6'-[[6-[(9,10-dihydro-9,10-dioxoanthryl)amino]-1,3,5-triazine-2,4-diyl]diimino]bis[10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione]","6,6'-({6-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-1,3,5-triazine-2,4-diyl}diimino)bis(10-bromonaphtho[2,3-c]acridine-5,8,14(13H)-trione)",Brc1ccc2Nc3c(cc(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cc9C(=O)c%10cc(Br)ccc%10Nc9c%11C(=O)c%12ccccc%12C(=O)c8%11)n4)c%13C(=O)c%14ccccc%14C(=O)c3%13)C(=O)c2c1,Brc1ccc2Nc3c(cc(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(Nc8cc9C(=O)c%10cc(Br)ccc%10Nc9c%11C(=O)c%12ccccc%12C(=O)c8%11)n4)c%13C(=O)c%14ccccc%14C(=O)c3%13)C(=O)c2c1,"InChI=1/C59H28Br2N8O8/c60-24-16-18-37-33(20-24)50(71)35-22-40(43-45(47(35)62-37)55(76)30-12-5-3-10-28(30)53(43)74)65-58-67-57(64-39-15-7-14-32-42(39)52(73)27-9-2-1-8-26(27)49(32)70)68-59(69-58)66-41-23-36-48(63-38-19-17-25(61)21-34(38)51(36)72)46-44(41)54(75)29-11-4-6-13-31(29)56(46)77/h1-23H,(H,62,71)(H,63,72)(H3,64,65,66,67,68,69)",C59H28Br2N8O8,,,,,,NIZSTWDWXVSTHF-UHFFFAOYSA-N,,,,,,,,,,,
100.095.364,304-947-3,94293-54-6,8-hydroxyquinolinium (1S)-2-oxobornane-10-sulphonate,"8-hydroxyquinolinium (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2.Oc3cccc4ccc[nH+]c34,CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2.Oc3cccc4ccc[nH+]c34,"InChI=1/C10H16O4S.C9H7NO/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;11-8-5-1-3-7-4-2-6-10-9(7)8/h7H,3-6H2,1-2H3,(H,12,13,14);1-6,11H",C10H16O4S.C9H7NO,,,,,,SYCMVVYJIZOHPF-DLGLCQKISA-N,,,,,,,,,,,
100.095.372,304-956-2,94313-58-3,Disodium p-tolylarsonate,disodium (4-methylphenyl)arsonate,[Na+].[Na+].Cc1ccc(cc1)[As](=O)([O-])[O-],[Na+].[Na+].Cc1ccc(cc1)[As](=O)([O-])[O-],"InChI=1/C7H9AsO3.2Na/c1-6-2-4-7(5-3-6)8(9,10)11;;/h2-5H,1H3,(H2,9,10,11);;/q;2*+1/p-2",C7H9AsO3.2Na,,,,,,PHPFBGWPXWZIEQ-UHFFFAOYSA-L,,,,,,,,,,,
100.095.374,304-958-3,94313-61-8,(2-hydroxyethyl)octadecylammonium chloride,N-(2-hydroxyethyl)octadecan-1-aminium chloride,[Cl-].CCCCCCCCCCCCCCCCCC[NH2+]CCO,[Cl-].CCCCCCCCCCCCCCCCCC[NH2+]CCO,"InChI=1/C20H43NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22;/h21-22H,2-20H2,1H3;1H",C20H43NO.ClH,,,,,,ZHBKZXHOXKFVFY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.886,306-625-8,97358-50-4,"N-(1,2,2-trimethylpropyl)formamide","N-(1,2,2-trimethylpropyl)formamide",CC(NC=O)C(C)(C)C,CC(NC=O)C(C)(C)C,"InChI=1/C7H15NO/c1-6(8-5-9)7(2,3)4/h5-6H,1-4H3,(H,8,9)",C7H15NO,,,,,,NFBFERYHCPXWCC-UHFFFAOYSA-N,,,,,,,,,,,
100.096.892,306-632-6,97358-57-1,Sodium 6-amino-5-[[3-[[(2-ethylphenyl)amino]sulphonyl]-4-methylphenyl]azo]naphthalene-2-sulphonate,sodium 6-amino-5-({3-[(2-ethylphenyl)sulfamoyl]-4-methylphenyl}diazenyl)naphthalene-2-sulfonate,[Na+].CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=Nc2c3ccc(cc3ccc2N)S([O-])(=O)=O,[Na+].CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=Nc2c3ccc(cc3ccc2N)S([O-])(=O)=O,"InChI=1/C25H24N4O5S2.Na/c1-3-17-6-4-5-7-23(17)29-35(30,31)24-15-19(10-8-16(24)2)27-28-25-21-12-11-20(36(32,33)34)14-18(21)9-13-22(25)26;/h4-15,29H,3,26H2,1-2H3,(H,32,33,34);/q;+1/p-1",C25H24N4O5S2.Na,,,,,,NHRIRNIOGRYFRS-UHFFFAOYSA-M,,,,,,,,,,,
100.096.893,306-633-1,97358-58-2,"N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-N-methylbenzamide","N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-N-methylbenzamide",CN(C(=O)c1ccccc1)c2c(C(=O)c3ccccc3F)c(C)nn2C,CN(C(=O)c1ccccc1)c2c(C(=O)c3ccccc3F)c(C)nn2C,"InChI=1/C20H18FN3O2/c1-13-17(18(25)15-11-7-8-12-16(15)21)19(24(3)22-13)23(2)20(26)14-9-5-4-6-10-14/h4-12H,1-3H3",C20H18FN3O2,,,,,,LQUDTYYBJCQAJE-UHFFFAOYSA-N,,,,,,,,,,,
100.096.921,306-664-0,97373-00-7,(2-hydroxyethyl)bis[2-(octadec-9-enoyloxy)ethyl]ammonium acetate,"2-hydroxy-N,N-bis[2-(oleoyloxy)ethyl]ethanaminium acetate",O=C(OCC[NH+](CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.[O-]C(C)=O,O=C(OCC[NH+](CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.[O-]C(C)=O,"InChI=1/C42H79NO5.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h17-20,44H,3-16,21-40H2,1-2H3;1H3,(H,3,4)",C42H79NO5.C2H4O2,,,,,,YPTQHTMYQYODEQ-UHFFFAOYSA-N,,,,,,,,,,,
100.098.646,308-568-4,98088-95-0,"N,N'-(3-methylbutylidene)bismethacrylamide","N,N'-(3-methylbutane-1,1-diyl)bis(2-methylacrylamide)",CC(C)CC(NC(=O)C(=C)C)NC(=O)C(=C)C,CC(C)CC(NC(=O)C(=C)C)NC(=O)C(=C)C,"InChI=1/C13H22N2O2/c1-8(2)7-11(14-12(16)9(3)4)15-13(17)10(5)6/h8,11H,3,5,7H2,1-2,4,6H3,(H,14,16)(H,15,17)",C13H22N2O2,,,,,,WMCQRSRSFMERMW-UHFFFAOYSA-N,,,,,,,,,,,
100.098.650,308-573-1,98106-52-6,Tetraaluminium zirconium tetrachloride dodecahydroxide,tetraaluminium zirconium tetrachloride dodecahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2],[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2],InChI=1/4Al.4ClH.12H2O.Zr/h;;;;4*1H;12*1H2;/q4*+3;;;;;;;;;;;;;;;;;+2/p-16,Al4Cl4H12O12Zr,,,,,,DVAFIHDJDXVXFF-UHFFFAOYSA-A,,,,,,,,,,,
100.098.654,308-577-3,98106-56-0,Gallium zinc triarsenide,-,[Zn+2].[Ga+3].[AsH2][As]=[AsH2-],[Zn+2].[Ga+3].[AsH2][As]=[AsH2-],InChI=1/As3H4.Ga.Zn/c1-3-2;;/h1-2H2;;/q-1;+3;+2,As3GaZn,,,,,,BIXXZFHMIPSGTO-UHFFFAOYSA-N,,,,,,,,,,,
100.096.932,306-676-6,97375-20-7,Thulium tribromate,thulium tribromate,[Tm+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,[Tm+3].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O,"InChI=1/3BrHO3.Tm/c3*2-1(3)4;/h3*(H,2,3,4);/q;;;+3/p-3",BrHO3.1/3Tm,,,,,,QQNXEJGSLIDJHD-UHFFFAOYSA-K,,,,,,,,,,,
100.096.956,306-702-6,97392-67-1,4-[[(6-aminohexyl)amino]carbonyl]benzoic acid,4-[(6-aminohexyl)carbamoyl]benzoic acid,NCCCCCCNC(=O)c1ccc(cc1)C(=O)O,NCCCCCCNC(=O)c1ccc(cc1)C(=O)O,"InChI=1/C14H20N2O3/c15-9-3-1-2-4-10-16-13(17)11-5-7-12(8-6-11)14(18)19/h5-8H,1-4,9-10,15H2,(H,16,17)(H,18,19)",C14H20N2O3,,,,,,AMJIYNTULNEVBG-UHFFFAOYSA-N,,,,,,,,,,,
100.096.960,306-706-8,97392-71-7,Diphenyltetradecane,"1,1'-tetradecane-1,1-diyldibenzene",CCCCCCCCCCCCCC(c1ccccc1)c2ccccc2,CCCCCCCCCCCCCC(c1ccccc1)c2ccccc2,"InChI=1/C26H38/c1-2-3-4-5-6-7-8-9-10-11-18-23-26(24-19-14-12-15-20-24)25-21-16-13-17-22-25/h12-17,19-22,26H,2-11,18,23H2,1H3",C26H38,,,,,,RHISRDQWNQEBBY-UHFFFAOYSA-N,,,,,,,,,,,
100.096.961,306-707-3,97392-72-8,Diphenyldecane,"1,1'-decane-1,1-diyldibenzene",CCCCCCCCCC(c1ccccc1)c2ccccc2,CCCCCCCCCC(c1ccccc1)c2ccccc2,"InChI=1/C22H30/c1-2-3-4-5-6-7-14-19-22(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,22H,2-7,14,19H2,1H3",C22H30,,,,,,HSTCJLDQVIIDKF-UHFFFAOYSA-N,,,,,,,,,,,
100.098.686,308-614-3,98143-49-8,"1-Docosanol, phosphate, compd. with 2,2'-iminobis[ethanol]",-,CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO,CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO,"InChI=1/C22H47O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;6-3-1-5-2-4-7/h2-22H2,1H3,(H2,23,24,25);5-7H,1-4H2/p-2",-,,,,,,TYGPWBGKQRATMU-UHFFFAOYSA-L,,,,,,,,,,,
100.098.689,308-618-5,98143-52-3,"Phosphoric acid, ethyl ester, compd. with 2,2'-iminobis[ethanol]","ethyl dihydrogen phosphate - 2,2'-iminodiethanol (1:1)",CCOP(=O)(O)O.OCCNCCO,CCOP(=O)(O)O.OCCNCCO,"InChI=1/C4H11NO2.C2H7O4P/c6-3-1-5-2-4-7;1-2-6-7(3,4)5/h5-7H,1-4H2;2H2,1H3,(H2,3,4,5)",-,,,,,,WNDDMLASZHQNCI-UHFFFAOYSA-N,,,,,,,,,,,
100.098.708,308-638-4,98167-54-5,"Decahydro-1-methoxy-4,8a,9,9-tetramethyl-1,6-methanonaphthalene","1-methoxy-4,8a,9,9-tetramethyldecahydro-1,6-methanonaphthalene",CC1(C)C2CC3C(C)CCC1(OC)C3(C)CC2,CC1(C)C2CC3C(C)CCC1(OC)C3(C)CC2,"InChI=1/C16H28O/c1-11-6-9-16(17-5)14(2,3)12-7-8-15(16,4)13(11)10-12/h11-13H,6-10H2,1-5H3",C16H28O,,,,,,CHNNZHWOFUDAHP-UHFFFAOYSA-N,,,,,,,,,,,
100.098.709,308-640-5,98167-55-6,Heptyl 12-hydroxyoleate,heptyl 12-hydroxyoctadec-9-enoate,CCCCCCCOC(=O)CCCCCCC\\C=C/CC(O)CCCCCC,CCCCCCCOC(=O)CCCCCCC\C=C/CC(O)CCCCCC,"InChI=1/C25H48O3/c1-3-5-7-15-19-23-28-25(27)22-18-14-12-10-9-11-13-17-21-24(26)20-16-8-6-4-2/h13,17,24,26H,3-12,14-16,18-23H2,1-2H3",C25H48O3,,,,,,JYZMEVOAJGJTKL-LGMDPLHJSA-N,,,,,,,,,,,
100.095.625,305-235-5,94386-12-6,"2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide, compd. with 3-[[6-O-(6-deoxy-a-l-mannopyranosyl)-ß-d-glucopyranosyl]oxy]-6-[(diethylamino)methyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one (1:1)","6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide - 6-[(diethylamino)methyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (1:1)",CCN(CC)Cc1c(O)cc2OC(=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)c2c1O)c5ccc(O)c(O)c5.NS(=O)(=O)c6cc7c(NCNS7(=O)=O)cc6Cl,CCN(CC)Cc1c(O)cc2OC(=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)c2c1O)c5ccc(O)c(O)c5.NS(=O)(=O)c6cc7c(NCNS7(=O)=O)cc6Cl,"InChI=1/C32H41NO16.C7H8ClN3O4S2/c1-4-33(5-2)10-14-16(35)9-18-20(22(14)38)24(40)30(29(47-18)13-6-7-15(34)17(36)8-13)49-32-28(44)26(42)23(39)19(48-32)11-45-31-27(43)25(41)21(37)12(3)46-31;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h6-9,12,19,21,23,25-28,31-32,34-39,41-44H,4-5,10-11H2,1-3H3;1-2,10-11H,3H2,(H2,9,12,13)",C32H41NO16.C7H8ClN3O4S2,,,,,,FIDVACMKTVRETK-HURBHPHBSA-N,,,,,,,,,,,
100.095.633,305-243-9,94386-21-7,"2,6-bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexan-1-one","2,6-bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexanone",Cn3cccc3C=C2CCCC(=Cc1cccn1C)C2=O,Cn3cccc3C=C2CCCC(=Cc1cccn1C)C2=O,"InChI=1/C18H20N2O/c1-19-10-4-8-16(19)12-14-6-3-7-15(18(14)21)13-17-9-5-11-20(17)2/h4-5,8-13H,3,6-7H2,1-2H3",C18H20N2O,,,,,,VTZLPXIVTAFLQG-UHFFFAOYSA-N,,,,,,,,,,,
100.095.636,305-247-0,94386-24-0,"Disodium 4-amino-5-hydroxy-3,6-bis[[4-[(4-hydroxyphenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate","disodium 4-amino-5-hydroxy-3,6-bis({4-[(4-hydroxyphenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonate",[Na+].[Na+].Oc6ccc(N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(N=Nc1ccc(O)cc1)cc2)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)cc6,[Na+].[Na+].Oc6ccc(N=Nc5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(N=Nc1ccc(O)cc1)cc2)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)cc6,"InChI=1/C34H25N9O9S2.2Na/c35-31-30-19(17-28(53(47,48)49)32(31)42-40-22-5-1-20(2-6-22)36-38-24-9-13-26(44)14-10-24)18-29(54(50,51)52)33(34(30)46)43-41-23-7-3-21(4-8-23)37-39-25-11-15-27(45)16-12-25;;/h1-18,44-46H,35H2,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",C34H25N9O9S2.2Na,,,,,,DNVHYHYYCPBMDM-UHFFFAOYSA-L,,,,,,,,,,,
100.097.459,307-256-5,97590-76-6,3-O-benzyl-ß-D-glucose,3-O-benzyl-D-glucose,OC[C@@H](O)[C@@H](O)[C@H](OCc1ccccc1)[C@@H](O)C=O,OC[C@@H](O)[C@@H](O)[C@H](OCc1ccccc1)[C@@H](O)C=O,"InChI=1/C13H18O6/c14-6-10(16)12(18)13(11(17)7-15)19-8-9-4-2-1-3-5-9/h1-5,7,10-14,16-18H,6,8H2",C13H18O6,,,,,,RAEXDMCULJOFDK-YVECIDJPSA-N,,,,,,,,,,,
100.095.638,305-249-1,94386-26-2,"Sodium p-[[5-[(3-acetamidophenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate","sodium 4-({5-[(3-acetamidophenyl)diazenyl]-2,4-dihydroxyphenyl}diazenyl)benzenesulfonate",[Na+].Oc2cc(O)c(cc2N=Nc1cc(NC(C)=O)ccc1)N=Nc3ccc(cc3)S([O-])(=O)=O,[Na+].Oc2cc(O)c(cc2N=Nc1cc(NC(C)=O)ccc1)N=Nc3ccc(cc3)S([O-])(=O)=O,"InChI=1/C20H17N5O6S.Na/c1-12(26)21-14-3-2-4-15(9-14)23-25-18-10-17(19(27)11-20(18)28)24-22-13-5-7-16(8-6-13)32(29,30)31;/h2-11,27-28H,1H3,(H,21,26)(H,29,30,31);/q;+1/p-1",C20H17N5O6S.Na,,,,,,ZGQIITAEWAAMKD-UHFFFAOYSA-M,,,,,,,,,,,
100.095.639,305-250-7,94386-28-4,Sodium hydrogen 3-methyl-5-[(4-sulphonatophenyl)azo]salicylate,hydrogen sodium 2-hydroxy-3-methyl-5-[(4-sulfonatophenyl)diazenyl]benzoate,[H+].[Na+].Cc2cc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc(C([O-])=O)c2O,[H+].[Na+].Cc2cc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc(C([O-])=O)c2O,"InChI=1/C14H12N2O6S.Na.H2/c1-8-6-10(7-12(13(8)17)14(18)19)16-15-9-2-4-11(5-3-9)23(20,21)22;;/h2-7,17H,1H3,(H,18,19)(H,20,21,22);;1H/q;2*+1/p-2",C14H12N2O6S.Na,,,,,,NLMDKRTVJRKEPE-UHFFFAOYSA-M,,,,,,,,,,,
100.095.649,305-261-7,94386-39-7,2-methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate,5-isopropenyl-2-methylcyclohex-2-en-1-yl 3-methylbutanoate,CC(C)CC(=O)OC1CC(CC=C1C)C(=C)C,CC(C)CC(=O)OC1CC(CC=C1C)C(=C)C,"InChI=1/C15H24O2/c1-10(2)8-15(16)17-14-9-13(11(3)4)7-6-12(14)5/h6,10,13-14H,3,7-9H2,1-2,4-5H3",C15H24O2,,,,,,GGESQBHSIRCDBW-UHFFFAOYSA-N,,,,,,,,,,,
100.095.650,305-262-2,94386-40-0,[4-(1-methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate,(4-isopropenylcyclohex-1-en-1-yl)methyl 3-methylbutanoate,CC(C)CC(=O)OCC1=CCC(CC1)C(=C)C,CC(C)CC(=O)OCC1=CCC(CC1)C(=C)C,"InChI=1/C15H24O2/c1-11(2)9-15(16)17-10-13-5-7-14(8-6-13)12(3)4/h5,11,14H,3,6-10H2,1-2,4H3",C15H24O2,,,,,,YOKIAMRQWJSVRG-UHFFFAOYSA-N,,,,,,,,,,,
100.095.651,305-263-8,94386-41-1,"5-oxo-L-proline, compound with aniline (1:1)",5-oxo-L-proline - aniline (1:1),Nc1ccccc1.OC(=O)[C@@H]2CCC(=O)N2,Nc1ccccc1.OC(=O)[C@@H]2CCC(=O)N2,"InChI=1/C6H7N.C5H7NO3/c7-6-4-2-1-3-5-6;7-4-2-1-3(6-4)5(8)9/h1-5H,7H2;3H,1-2H2,(H,6,7)(H,8,9)",C6H7N.C5H7NO3,,,,,,NVHYBZRQHKEZOM-HVDRVSQOSA-N,,,,,,,,,,,
100.095.658,305-271-1,94386-48-8,Methyl 2-[cinnamylideneamino]benzoate,methyl 2-[(3-phenylprop-2-en-1-ylidene)amino]benzoate,COC(=O)c2ccccc2N=CC=Cc1ccccc1,COC(=O)c2ccccc2N=CC=Cc1ccccc1,"InChI=1/C17H15NO2/c1-20-17(19)15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-13H,1H3",C17H15NO2,,,,,,OOJFPYZBLJTFST-UHFFFAOYSA-N,,,,,,,,,,,
100.095.667,305-281-6,94386-58-0,"2,2-dimethoxy-1-(2-phenylethoxy)ethanol","2,2-dimethoxy-1-(2-phenylethoxy)ethanol",COC(OC)C(O)OCCc1ccccc1,COC(OC)C(O)OCCc1ccccc1,"InChI=1/C12H18O4/c1-14-12(15-2)11(13)16-9-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3",C12H18O4,,,,,,CSUCHWPVXAASIC-UHFFFAOYSA-N,,,,,,,,,,,
100.095.672,305-286-3,94386-63-7,cis-3-vinylcyclohexyl acetate,3-vinylcyclohexyl acetate,CC(=O)O[C@H]1CCC[C@H](C1)C=C,CC(=O)O[C@H]1CCC[C@H](C1)C=C,"InChI=1/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h3,9-10H,1,4-7H2,2H3",C10H16O2,,,,,,MFFQZYIDSYOHOP-ZJUUUORDSA-N,,,,,,,,,,,
100.095.674,305-288-4,94405-93-3,Diethylammonium (Z)-hexadec-9-enoate,N-ethylethanaminium hexadec-9-enoate,CCCCCC\\C=C/CCCCCCCC(=O)[O-].CC[NH2+]CC,CCCCCC\C=C/CCCCCCCC(=O)[O-].CC[NH2+]CC,"InChI=1/C16H30O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-5-4-2/h7-8H,2-6,9-15H2,1H3,(H,17,18);5H,3-4H2,1-2H3",C16H30O2.C4H11N,,,,,,AMLAAJUSPWAEGI-CFYXSCKTSA-N,,,,,,,,,,,
100.098.517,308-421-4,97975-94-5,"Bis(2,4-dichlorobenzyl)dimethylammonium chloride","N-(2,4-dichlorobenzyl)(2,4-dichlorophenyl)-N,N-dimethylmethanaminium chloride",[Cl-].C[N+](C)(Cc1ccc(Cl)cc1Cl)Cc2ccc(Cl)cc2Cl,[Cl-].C[N+](C)(Cc1ccc(Cl)cc1Cl)Cc2ccc(Cl)cc2Cl,"InChI=1/C16H16Cl4N.ClH/c1-21(2,9-11-3-5-13(17)7-15(11)19)10-12-4-6-14(18)8-16(12)20;/h3-8H,9-10H2,1-2H3;1H/q+1;/p-1",C16H16Cl4N.Cl,,,,,,NQPUHJCCECUSEO-UHFFFAOYSA-M,,,,,,,,,,,
100.094.477,303-972-7,94232-44-7,"Cobalt(2+) dinickel(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]","cobalt(2+) dinickel(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]",[Co+2].[Ni+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Co+2].[Ni+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/2C6H8O7.Co.2Ni/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",C6H8O7.1/2Co.Ni,,,,,,KGKXWYHTIXPVGY-UHFFFAOYSA-H,,,,,,,,,,,
100.094.479,303-974-8,94232-46-9,Lanthanum(3+) oleate,lanthanum trioctadec-9-enoate,[La+3].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[La+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H34O2.1/3La,,,,,,MGIBNIQPMAAJOW-GNOQXXQHSA-K,,,,,,,,,,,
100.094.480,303-975-3,94232-47-0,Praseodymium(3+) oleate,praseodymium trioctadec-9-enoate,[Pr+3].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Pr+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O2.Pr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H34O2.1/3Pr,,,,,,RENJVUUROSVABU-GNOQXXQHSA-K,,,,,,,,,,,
100.094.492,303-988-4,94232-60-7,Cerium(3+) oleate,cerium(3+) trioctadec-9-enoate,[Ce+3].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\\C=C/CCCCCCCC(=O)[O-],[Ce+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-],"InChI=1/3C18H34O2.Ce/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3",C18H34O2.1/3Ce,,,,,,HZMBANJECWHRGE-GNOQXXQHSA-K,,,,,,,,,,,
100.094.495,303-992-6,94232-64-1,4-(benzoylamino)-2-[(ethoxycarbonyl)methylamino]-5-methoxybenzenediazonium tetrachlorozincate (2:1),bis{4-(benzoylamino)-2-[(ethoxycarbonyl)(methyl)amino]-5-methoxybenzenediazonium} tetrachlorozincate(2-),CCOC(=O)N(C)c1cc(NC(=O)c2ccccc2)c(OC)cc1[N+]#N.CCOC(=O)N(C)c3cc(NC(=O)c4ccccc4)c(OC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,CCOC(=O)N(C)c1cc(NC(=O)c2ccccc2)c(OC)cc1[N+]#N.CCOC(=O)N(C)c3cc(NC(=O)c4ccccc4)c(OC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1/2C18H18N4O4.4ClH.Zn/c2*1-4-26-18(24)22(2)15-10-14(16(25-3)11-13(15)21-19)20-17(23)12-8-6-5-7-9-12;;;;;/h2*5-11H,4H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C18H18N4O4.Cl4Zn/c2*1-4-26-18(24)22(2)15-10-14(16(25-3)11-13(15)21-19)20-17(23)12-8-6-5-7-9-12;1-5(2,3)4/h2*5-11H,4H2,1-3H3;/q;;-2/p+2",C18H19N4O4.1/2Cl4Zn,,,,,,KCDRBMNTRHFCSK-UHFFFAOYSA-L,,,,,,,,,,,
100.094.496,303-993-1,94232-65-2,"1-ethyl-4-[2-[5-isopropyl-3,8-dimethylazulen-1-yl]vinyl]quinolinium iodide","1-ethyl-4-[2-(5-isopropyl-3,8-dimethylazulen-1-yl)vinyl]quinolinium iodide",[I-].CC[n+]1ccc(\\C=C\\c2cc(C)c3cc(ccc(C)c23)C(C)C)c4ccccc14,[I-].CC[n+]1ccc(\C=C\c2cc(C)c3cc(ccc(C)c23)C(C)C)c4ccccc14,"InChI=1/C28H30N.HI/c1-6-29-16-15-22(25-9-7-8-10-27(25)29)13-14-24-17-21(5)26-18-23(19(2)3)12-11-20(4)28(24)26;/h7-19H,6H2,1-5H3;1H/q+1;/p-1",C28H30N.I,,,,,,CGYUGPJPXYVQAN-IERUDJENSA-M,,,,,,,,,,,
100.094.499,303-996-8,94232-68-5,Diethyl N-(4-nitrobenzoyl)-D-glutamate,diethyl N-(4-nitrobenzoyl)-D-glutamate,CCOC(=O)CC[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)OCC,CCOC(=O)CC[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)OCC,"InChI=1/C16H20N2O7/c1-3-24-14(19)10-9-13(16(21)25-4-2)17-15(20)11-5-7-12(8-6-11)18(22)23/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,20)",C16H20N2O7,,,,,,OTQQWHKIMACEHP-CYBMUJFWSA-N,,,,,,,,,,,
100.093.637,303-047-8,94157-80-9,"2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, potassium sodium salt","potassium sodium 1-amino-4-{[3-({4-chloro-6-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-2,4,6-trimethyl-5-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",[K+].[Na+].Clc6nc(Nc1ccc(cc1)S(=O)(=O)CCOS(O)(=O)=O)nc(Nc5c(C)c(c(C)c(Nc4cc(c(N)c3C(=O)c2ccccc2C(=O)c34)S([O-])(=O)=O)c5C)S([O-])(=O)=O)n6,[K+].[Na+].Clc6nc(Nc1ccc(cc1)S(=O)(=O)CCOS(O)(=O)=O)nc(Nc5c(C)c(c(C)c(Nc4cc(c(N)c3C(=O)c2ccccc2C(=O)c34)S([O-])(=O)=O)c5C)S([O-])(=O)=O)n6,"InChI=1/C34H30ClN7O14S4.K.Na/c1-15-27(38-22-14-23(58(47,48)49)26(36)25-24(22)29(43)20-6-4-5-7-21(20)30(25)44)16(2)31(59(50,51)52)17(3)28(15)39-34-41-32(35)40-33(42-34)37-18-8-10-19(11-9-18)57(45,46)13-12-56-60(53,54)55;;/h4-11,14,38H,12-13,36H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,37,39,40,41,42);;/q;2*+1/p-2",C34H30ClN7O14S4.xK.xNa,,,,,,BPZLKKZWLMLBIU-UHFFFAOYSA-L,,,,,,,,,,,
100.099.743,309-789-9,101012-89-9,"Dodecanoic acid, cadmium salt, basic",-,[Cd+2].CCCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCCCCCCC(=O)[O-],"InChI=1/C12H24O2.Cd/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+2/p-1",-,,,,,,AFDRZRQYAPISJL-UHFFFAOYSA-M,,,,,,,,,,,
100.099.745,309-792-5,101012-91-3,"Hexadecanoic acid, aluminum salt, basic",-,[Al+3].CCCCCCCCCCCCCCCC(=O)[O-],[Al+3].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/C16H32O2.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+3/p-1",-,,,,,,IYBSNUFIXANUPQ-UHFFFAOYSA-M,,,,,,,,,,,
100.099.748,309-795-1,101012-94-6,"Octadecanoic acid, 12-hydroxy-, cadmium salt, basic",-,[Cd+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],[Cd+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-],"InChI=1/C18H36O3.Cd/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+2/p-1",-,,,,,,SLROUFRRDRFYMW-UHFFFAOYSA-M,,,,,,,,,,,
100.093.643,303-054-6,94157-86-5,Phenyl cyclohexanepropionate,phenyl 3-cyclohexylpropanoate,O=C(CCC1CCCCC1)Oc2ccccc2,O=C(CCC1CCCCC1)Oc2ccccc2,"InChI=1/C15H20O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2",C15H20O2,,,,,,RNUPUCDUAIHDBO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.647,303-058-8,94157-90-1,"N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-methoxypropyl)allylamino]-4-methoxyphenyl]acetamide","N-{5-[allyl(2-hydroxy-3-methoxypropyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl}acetamide",Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC(O)COC)[N+]([O-])=O)[N+]([O-])=O,Brc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC=C)CC(O)COC)[N+]([O-])=O)[N+]([O-])=O,"InChI=1/C22H25BrN6O8/c1-5-6-27(11-15(31)12-36-3)19-9-17(24-13(2)30)18(10-21(19)37-4)25-26-22-16(23)7-14(28(32)33)8-20(22)29(34)35/h5,7-10,15,31H,1,6,11-12H2,2-4H3,(H,24,30)",C22H25BrN6O8,,,,,,HNTHYIFATPHINP-UHFFFAOYSA-N,,,,,,,,,,,
100.093.648,303-059-3,94157-91-2,"2,6-difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide","2,6-difluoro-N-({2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}carbamoyl)benzamide",Cc1cc(ccc1NC(=O)NC(=O)c2c(F)cccc2F)C(O)(C(F)(F)F)C(F)(F)F,Cc1cc(ccc1NC(=O)NC(=O)c2c(F)cccc2F)C(O)(C(F)(F)F)C(F)(F)F,"InChI=1/C18H12F8N2O3/c1-8-7-9(16(31,17(21,22)23)18(24,25)26)5-6-12(8)27-15(30)28-14(29)13-10(19)3-2-4-11(13)20/h2-7,31H,1H3,(H2,27,28,29,30)",C18H12F8N2O3,,,,,,CMPKBGQTUDSZQK-UHFFFAOYSA-N,,,,,,,,,,,
100.093.661,303-074-5,94158-04-0,"Disodium 4-hydroxy-3-[[2-[4-(tert-pentyl)phenoxy]phenyl]azo]naphthalene-2,7-disulphonate","disodium 3-({2-[4-(1,1-dimethylpropyl)phenoxy]phenyl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].[O-]S(=O)(=O)c4cc1cc(ccc1c(O)c4N=Nc3ccccc3Oc2ccc(cc2)C(C)(C)CC)S([O-])(=O)=O,[Na+].[Na+].[O-]S(=O)(=O)c4cc1cc(ccc1c(O)c4N=Nc3ccccc3Oc2ccc(cc2)C(C)(C)CC)S([O-])(=O)=O,"InChI=1/C27H26N2O8S2.2Na/c1-4-27(2,3)18-9-11-19(12-10-18)37-23-8-6-5-7-22(23)28-29-25-24(39(34,35)36)16-17-15-20(38(31,32)33)13-14-21(17)26(25)30;;/h5-16,30H,4H2,1-3H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",C27H26N2O8S2.2Na,,,,,,QITCDZCUYRWLTA-UHFFFAOYSA-L,,,,,,,,,,,
100.093.663,303-076-6,94158-06-2,"2'-azido[1,1'-biphenyl]-2-yl acetate",2'-azidobiphenyl-2-yl acetate,CC(=O)Oc1ccccc1c2ccccc2N=[N+]=[N-],CC(=O)Oc1ccccc1c2ccccc2N=[N+]=[N-],"InChI=1/C14H11N3O2/c1-10(18)19-14-9-5-3-7-12(14)11-6-2-4-8-13(11)16-17-15/h2-9H,1H3",C14H11N3O2,,,,,,GMVZMOSNADWWKO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.673,303-087-6,94158-16-4,"2-amino-5-[(3-carboxy-4-imino-2,5-cyclohexadien-1-ylidene)(4-methoxyphenyl)methyl]benzoic acid monohydrochloride","2-amino-5-[(3-carboxy-4-iminocyclohexa-2,5-dien-1-ylidene)(4-methoxyphenyl)methyl]benzoic acid hydrochloride",Cl.OC(=O)c1cc(ccc1N)C(c2ccc(OC)cc2)=C/3/C=C\\C(=N)\\C(=C\\3)C(O)=O,Cl.OC(=O)c1cc(ccc1N)C(c2ccc(OC)cc2)=C/3/C=C\C(=N)\C(=C\3)C(O)=O,"InChI=1/C22H18N2O5.ClH/c1-29-15-6-2-12(3-7-15)20(13-4-8-18(23)16(10-13)21(25)26)14-5-9-19(24)17(11-14)22(27)28;/h2-11,23H,24H2,1H3,(H,25,26)(H,27,28);1H",C22H18N2O5.ClH,,,,,,NOGGZRFOTRDGBS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.679,303-093-9,94158-22-2,"3,3'-[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis(oxy)]dipropanol","3,3'-[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis(oxy)]dipropan-1-ol",C[Si](C)(OCCCO)O[Si](C)(C)OCCCO,C[Si](C)(OCCCO)O[Si](C)(C)OCCCO,"InChI=1/C10H26O5Si2/c1-16(2,13-9-5-7-11)15-17(3,4)14-10-6-8-12/h11-12H,5-10H2,1-4H3",C10H26O5Si2,,,,,,PKRSWILRQBZEQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.681,303-096-5,94158-25-5,3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide,"3-(2-carboxyethyl)-2-(2-{[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-5-chloro-1,3-benzothiazol-3-ium iodide",[I-].OC(=O)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC(O)=O,[I-].OC(=O)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC(O)=O,"InChI=1/C25H22Cl2N2O4S2.HI/c1-2-15(11-22-28(9-7-24(30)31)18-13-16(26)3-5-20(18)34-22)12-23-29(10-8-25(32)33)19-14-17(27)4-6-21(19)35-23;/h3-6,11-14H,2,7-10H2,1H3,(H-,30,31,32,33);1H",C25H23Cl2N2O4S2.I,,,,,,XYDDQSVVNIJPCO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.682,303-097-0,94158-26-6,3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide,"3-(2-carboxyethyl)-2-(2-{[3-(2-carboxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-5-chloro-1,3-benzothiazol-3-ium iodide",[I-].OC(=O)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccccc1N2CCC(O)=O,[I-].OC(=O)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccccc1N2CCC(O)=O,"InChI=1/C25H23ClN2O4S2.HI/c1-2-16(13-22-27(11-9-24(29)30)18-5-3-4-6-20(18)33-22)14-23-28(12-10-25(31)32)19-15-17(26)7-8-21(19)34-23;/h3-8,13-15H,2,9-12H2,1H3,(H-,29,30,31,32);1H",C25H24ClN2O4S2.I,,,,,,PXLJFIRTAZSCIJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.685,303-100-5,94158-29-9,"6-[4-[[4-[(4-ethoxy-3-sulphophenyl)methylamino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-2-sulphonic acid","6-(4-{4-[(4-ethoxy-3-sulfobenzyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-2-sulfonic acid",OS(=O)(=O)c1cc(ccc1OCC)CNc2ccc(cc2)C=C5C(\\C)=N/N(c3ccc4cc(ccc4c3)S(O)(=O)=O)C5=O,OS(=O)(=O)c1cc(ccc1OCC)CNc2ccc(cc2)C=C5C(\C)=N/N(c3ccc4cc(ccc4c3)S(O)(=O)=O)C5=O,"InChI=1/C30H27N3O8S2/c1-3-41-28-13-6-21(15-29(28)43(38,39)40)18-31-24-9-4-20(5-10-24)14-27-19(2)32-33(30(27)34)25-11-7-23-17-26(42(35,36)37)12-8-22(23)16-25/h4-17,31H,3,18H2,1-2H3,(H,35,36,37)(H,38,39,40)",C30H27N3O8S2,,,,,,BNGYUMXRXTYVRF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.686,303-101-0,94158-30-2,"3-ethyl-5,6-dimethyl-2-[2-[[5-methyl-3-(2-methyl-3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]benzothiazolium","3-[2-{2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene}-5-methyl-1,3-benzoselenazol-3(2H)-yl]-2-methylpropane-1-sulfonate",CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC(C)CS([O-])(=O)=O,CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC(C)CS([O-])(=O)=O,"InChI=1/C28H34N2O3S2Se/c1-7-22(14-27-29(8-2)23-12-20(5)21(6)13-25(23)34-27)15-28-30(16-19(4)17-35(31,32)33)24-11-18(3)9-10-26(24)36-28/h9-15,19H,7-8,16-17H2,1-6H3",C28H34N2O3S2Se,,,,,,GGHANVPJVVJWKM-UHFFFAOYSA-N,,,,,,,,,,,
100.093.708,303-125-1,94158-53-9,"1,1'-oxybisglycerol","3,3'-trioxidane-1,3-diyldipropane-1,2-diol",OCC(O)COOOCC(O)CO,OCC(O)COOOCC(O)CO,"InChI=1/C6H14O7/c7-1-5(9)3-11-13-12-4-6(10)2-8/h5-10H,1-4H2",C6H14O7,,,,,,UYFWIPFJCSHGKX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.715,303-133-5,94158-61-9,"1-[2-(2-butoxyethoxy)ethoxy]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol","1-[2-(2-butoxyethoxy)ethoxy]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol",CCCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CCCCOCCOCCOCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C19H23F17O4/c1-2-3-4-38-5-6-39-7-8-40-10-11(37)9-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h11,37H,2-10H2,1H3",C19H23F17O4,,,,,,RAGJTPVWQPJXKH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.721,303-139-8,94158-67-5,"(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)oxirane","2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecyl)oxirane",FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1,"InChI=1/C17H5F29O/c18-4(19,1-3-2-47-3)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)16(42,43)17(44,45)46/h3H,1-2H2",C17H5F29O,,,,,,WCTXFFMYNHVNSS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.724,303-142-4,94158-70-0,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl dihydrogen phosphate","4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl dihydrogen phosphate",OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OP(=O)(O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1/C13H8F21O5P/c14-4(15,1-3(35)2-39-40(36,37)38)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3,35H,1-2H2,(H2,36,37,38)",C13H8F21O5P,,,,,,NQLRFTJXTHUSEC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.748,303-169-1,94158-95-9,2-methylundecyl methacrylate,2-methylundecyl methacrylate,CCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C16H30O2/c1-5-6-7-8-9-10-11-12-15(4)13-18-16(17)14(2)3/h15H,2,5-13H2,1,3-4H3",C16H30O2,,,,,,CZLJBVBCHWWLFD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.749,303-170-7,94158-96-0,2-methyldodecyl methacrylate,2-methyldodecyl methacrylate,CCCCCCCCCCC(C)COC(=O)C(=C)C,CCCCCCCCCCC(C)COC(=O)C(=C)C,"InChI=1/C17H32O2/c1-5-6-7-8-9-10-11-12-13-16(4)14-19-17(18)15(2)3/h16H,2,5-14H2,1,3-4H3",C17H32O2,,,,,,DIUOAZFIHVLGKZ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.503,302-900-1,94135-31-6,"9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-isonicotinate","9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl isonicotinate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccncc5,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccncc5,"InChI=1/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3",C28H32FNO6,,,,,,BQTXJHAJMDGOFI-QEVRMTOFSA-N,,,,,,,,,,,
100.093.505,302-902-2,94135-33-8,"2-(2,6-octadienylthio)ethanol","2-(octa-2,6-dien-1-ylsulfanyl)ethanol",OCCSCC=CCCC=CC,OCCSCC=CCCC=CC,"InChI=1/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3",C10H18OS,,,,,,FEAIFWLZCMLWTH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.511,302-909-0,94135-39-4,"Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11ß,16ß)-","Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)-",[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,"InChI=1/C22H30ClO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1",C22H30ClO8P.2Na,,,,,,SIKHUOWRLRCONQ-LWCNAHDDSA-N,,,,,,,,,,,
100.093.514,302-912-7,94135-42-9,o-(octadecyl)toluene,1-methyl-2-octadecylbenzene,CCCCCCCCCCCCCCCCCCc1ccccc1C,CCCCCCCCCCCCCCCCCCc1ccccc1C,"InChI=1/C25H44/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-23-20-19-21-24(25)2/h19-21,23H,3-18,22H2,1-2H3",C25H44,,,,,,JJSNBRUUOSMXBN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.520,302-919-5,94135-50-9,"3-(1,5-dimethylhexyl)tetrahydro-2H-pyran-2-one","3-(1,5-dimethylhexyl)tetrahydro-2H-pyran-2-one",CC(C)CCCC(C)C1CCCOC1=O,CC(C)CCCC(C)C1CCCOC1=O,"InChI=1/C13H24O2/c1-10(2)6-4-7-11(3)12-8-5-9-15-13(12)14/h10-12H,4-9H2,1-3H3",C13H24O2,,,,,,PBJIRSQPYIGFLC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.523,302-922-1,94135-53-2,"Calcium salicylate, compound with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione","calcium bis(2-hydroxybenzoate) - 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1)",[Ca+2].CN1C(=O)NC(=O)c2c1ncn2C.Oc3ccccc3C(=O)[O-].Oc4ccccc4C(=O)[O-],[Ca+2].CN1C(=O)NC(=O)c2c1ncn2C.Oc3ccccc3C(=O)[O-].Oc4ccccc4C(=O)[O-],"InChI=1/C7H8N4O2.2C7H6O3.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;2*8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,9,12,13);2*1-4,8H,(H,9,10);/q;;;+2/p-2",C7H8N4O2.C7H6O3.Ca,,,,,,GDDSFMMICZTVCA-UHFFFAOYSA-L,,,,,,,,,,,
100.093.527,302-926-3,94135-57-6,3-(p-cumenyl)-2-octylpropionaldehyde,2-(4-isopropylbenzyl)decanal,CCCCCCCCC(Cc1ccc(cc1)C(C)C)C=O,CCCCCCCCC(Cc1ccc(cc1)C(C)C)C=O,"InChI=1/C20H32O/c1-4-5-6-7-8-9-10-19(16-21)15-18-11-13-20(14-12-18)17(2)3/h11-14,16-17,19H,4-10,15H2,1-3H3",C20H32O,,,,,,OITFAOHCTDPSPO-UHFFFAOYSA-N,,,,,,,,,,,
100.093.528,302-927-9,94135-58-7,1-[5-fluoro-2-(oxiranylmethoxy)phenyl]butan-1-one,1-[5-fluoro-2-(oxiran-2-ylmethoxy)phenyl]butan-1-one,CCCC(=O)c1cc(F)ccc1OCC2CO2,CCCC(=O)c1cc(F)ccc1OCC2CO2,"InChI=1/C13H15FO3/c1-2-3-12(15)11-6-9(14)4-5-13(11)17-8-10-7-16-10/h4-6,10H,2-3,7-8H2,1H3",C13H15FO3,,,,,,ODMPDMZOLGOXHX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.529,302-928-4,94135-59-8,5-chloro-3-methoxy-1H-pyridin-2-one,5-chloro-3-methoxypyridin-2(1H)-one,COC1=CC(=CNC1=O)Cl,COC1=CC(=CNC1=O)Cl,"InChI=1/C6H6ClNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9)",C6H6ClNO2,,,,,,YERTYULGRITLAF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.530,302-930-5,94135-60-1,Sodium icos-9-enoate,sodium icos-9-enoate,[Na+].[O-]C(=O)CCCCCCCC=CCCCCCCCCCC,[Na+].[O-]C(=O)CCCCCCCC=CCCCCCCCCCC,"InChI=1/C20H38O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h11-12H,2-10,13-19H2,1H3,(H,21,22);/q;+1/p-1",C20H38O2.Na,,,,,,SCEFIDHNJSJIHH-UHFFFAOYSA-M,,,,,,,,,,,
100.093.532,302-932-6,94135-62-3,3-ammoniopropyl(dimethyl)ammonium hydrogen phosphate,"N,N-dimethylpropane-1,3-diaminium hydrogen phosphate",C[NH+](C)CCC[NH3+].[O-]P(=O)([O-])[O-],C[NH+](C)CCC[NH3+].[O-]P(=O)([O-])[O-],"InChI=1/C5H14N2.H3O4P/c1-7(2)5-3-4-6;1-5(2,3)4/h3-6H2,1-2H3;(H3,1,2,3,4)/p-1",C5H14N2.xH3O4P,,,,,,JRULVRXGHVZGQG-UHFFFAOYSA-M,,,,,,,,,,,
100.093.538,302-938-9,94135-68-9,"1-[[(5-nitro-2-furyl)methylene]amino]imidazolidine-2,4-dione, compound with morpholine (1:1)","1-{[(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione - morpholine (1:1)",O=C2CN(N=Cc1oc(cc1)[N+]([O-])=O)C(=O)N2.C1CNCCO1,O=C2CN(N=Cc1oc(cc1)[N+]([O-])=O)C(=O)N2.C1CNCCO1,"InChI=1/C8H6N4O5.C4H9NO/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16;1-3-6-4-2-5-1/h1-3H,4H2,(H,10,13,14);5H,1-4H2",C8H6N4O5.C4H9NO,,,,,,SASQWGSOPMXZAD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.545,302-946-2,94135-75-8,Hex-3-enyl (Z)-cinnamate,hex-3-en-1-yl 3-phenylacrylate,CCC=CCCOC(=O)/C=C\\c1ccccc1,CCC=CCCOC(=O)/C=C\c1ccccc1,"InChI=1/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3",C15H18O2,,,,,,FKWGVMQNGUQXDN-DRUZXFPZSA-N,,,,,,,,,,,
100.093.550,302-952-5,94135-81-6,N-(2-aminoethyl)stearamide monoacetate,N-(2-aminoethyl)octadecanamide acetate,CCCCCCCCCCCCCCCCCC(=O)NCCN.CC(=O)O,CCCCCCCCCCCCCCCCCC(=O)NCCN.CC(=O)O,"InChI=1/C20H42N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21;1-2(3)4/h2-19,21H2,1H3,(H,22,23);1H3,(H,3,4)",C20H42N2O.C2H4O2,,,,,,DBSYYYKYEZAVQU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.555,302-957-2,94135-86-1,"Trisodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate","trisodium 5-{[2,4-dihydroxy-5-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]diazenyl}-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonate",[Na+].[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)N=Nc6cc(cc5cc(c(N=Nc4ccc(OC)cc4)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)N=Nc6cc(cc5cc(c(N=Nc4ccc(OC)cc4)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C35H26N8O15S3.3Na/c1-58-23-9-6-21(7-10-23)38-42-34-32(61(55,56)57)13-18-12-24(59(49,50)51)15-28(33(18)35(34)46)41-40-27-16-26(29(44)17-30(27)45)39-37-20-4-2-19(3-5-20)36-25-11-8-22(43(47)48)14-31(25)60(52,53)54;;;/h2-17,36,44-46H,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3",C35H26N8O15S3.3Na,,,,,,WDSBRGYEJSCXJS-UHFFFAOYSA-K,,,,,,,,,,,
100.093.564,302-967-7,94135-95-2,(3-methyl-2-furyl)methyl valerate,(3-methyl-2-furyl)methyl valerate,CCCCC(=O)OCc1occc1C,CCCCC(=O)OCc1occc1C,"InChI=1/C11H16O3/c1-3-4-5-11(12)14-8-10-9(2)6-7-13-10/h6-7H,3-5,8H2,1-2H3",C11H16O3,,,,,,VYDQCRQZKDOHND-UHFFFAOYSA-N,,,,,,,,,,,
100.093.567,302-970-3,94135-98-5,"1,3-benzodioxole-4-butanoic acid","4-(1,3-benzodioxol-4-yl)butanoic acid",OC(=O)CCCc1cccc2OCOc12,OC(=O)CCCc1cccc2OCOc12,"InChI=1/C11H12O4/c12-10(13)6-2-4-8-3-1-5-9-11(8)15-7-14-9/h1,3,5H,2,4,6-7H2,(H,12,13)",C11H12O4,,,,,,LQOVFVGJOQVSNS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.574,302-978-7,94136-05-7,"2,5-dibutoxy-4'-methoxy[1,1'-biphenyl]-4-diazonium chloride","2,5-dibutoxy-4'-methoxybiphenyl-4-diazonium chloride",[Cl-].CCCCOc1cc(c(OCCCC)cc1[N+]#N)c2ccc(OC)cc2,[Cl-].CCCCOc1cc(c(OCCCC)cc1[N+]#N)c2ccc(OC)cc2,"InChI=1/C21H27N2O3.ClH/c1-4-6-12-25-20-15-19(23-22)21(26-13-7-5-2)14-18(20)16-8-10-17(24-3)11-9-16;/h8-11,14-15H,4-7,12-13H2,1-3H3;1H/q+1;/p-1",C21H27N2O3.Cl,,,,,,YNTXJPZSNIBITC-UHFFFAOYSA-M,,,,,,,,,,,
100.093.578,302-982-9,94138-67-7,"(R)-N-[2-[(12-hydroxyelaidoyl)amino]ethyl]-N,N,N',N',N'-pentamethyl-N,N'-propane-1,3-diyldiammonium dichloride","N-{2-[(12-hydroxyoctadec-9-enoyl)amino]ethyl}-N,N,N',N',N'-pentamethylpropane-1,3-diaminium dichloride",[Cl-].[Cl-].CCCCCC[C@@H](O)C\\C=C\\CCCCCCCC(=O)NCC[N+](C)(C)CCC[N+](C)(C)C,[Cl-].[Cl-].CCCCCC[C@@H](O)C\C=C\CCCCCCCC(=O)NCC[N+](C)(C)CCC[N+](C)(C)C,"InChI=1/C28H58N3O2.2ClH/c1-7-8-9-16-20-27(32)21-17-14-12-10-11-13-15-18-22-28(33)29-23-26-31(5,6)25-19-24-30(2,3)4;;/h14,17,27,32H,7-13,15-16,18-26H2,1-6H3;2*1H/q+1;;/p-1",C28H59N3O2.2Cl,,,,,,IZCFSOPHHFFNHW-JTLHQAAZSA-M,,,,,,,,,,,
100.093.582,302-987-6,94138-71-3,"Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl sulphate","sodium 2-({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethyl sulfate",[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3,"InChI=1/C17H17ClN2O6S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)27(21,22)12-11-26-28(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1",C17H17ClN2O6S2.Na,,,,,,SCHJOQNFJJUICL-UHFFFAOYSA-M,,,,,,,,,,,
100.093.602,303-009-0,94138-93-9,Lithium 2-mercaptolactate,lithium 2-hydroxy-2-sulfanylpropanoate,[Li+].CC(O)(S)C(=O)[O-],[Li+].CC(O)(S)C(=O)[O-],"InChI=1/C3H6O3S.Li/c1-3(6,7)2(4)5;/h6-7H,1H3,(H,4,5);/q;+1/p-1",C3H6O3S.Li,,,,,,RVCVZLSOHNSQAU-UHFFFAOYSA-M,,,,,,,,,,,
100.093.603,303-010-6,94138-94-0,"Dilithium hydrogen 2-hydroxypropane-1,2,3-tricarboxylate",hydrogen dilithium citrate,[Li+].[Li+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Li+].[Li+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.2Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-3",C6H8O7.2Li,,,,,,KPHBXCOBSIAOGG-UHFFFAOYSA-K,,,,,,,,,,,
100.093.606,303-013-2,94138-99-5,Bis[2-(2-hydroxyethoxy)ethyl]methyl(octadecyl)ammonium methyl sulphate,N-{3-(2-hydroxyethoxy)-1-[2-(2-hydroxyethoxy)ethyl]propyl}octadecan-1-aminium methyl sulfate,CCCCCCCCCCCCCCCCCC[NH2+]C(CCOCCO)CCOCCO.COS(=O)(=O)[O-],CCCCCCCCCCCCCCCCCC[NH2+]C(CCOCCO)CCOCCO.COS(=O)(=O)[O-],"InChI=1/C27H57NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-27(18-23-31-25-21-29)19-24-32-26-22-30;1-5-6(2,3)4/h27-30H,2-26H2,1H3;1H3,(H,2,3,4)",C27H58NO4.CH3O4S,,,,,,LRQUPDLOVDEPBT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.613,303-021-6,94139-06-7,"N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12-dien-1-amide","N-{2-[(2-hydroxyethyl)amino]ethyl}octadeca-9,12-dienamide",O=C(NCCNCCO)CCCCCCCC=CCC=CCCCCC,O=C(NCCNCCO)CCCCCCCC=CCC=CCCCCC,"InChI=1/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h6-7,9-10,23,25H,2-5,8,11-21H2,1H3,(H,24,26)",C22H42N2O2,,,,,,VEIZWYNSQUGDCD-UHFFFAOYSA-N,,,,,,,,,,,
100.093.619,303-027-9,94139-12-5,"N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate","N-{2-[(2-hydroxyethyl)amino]ethyl}octadeca-9,12,15-trienamide acetate (salt)",O=C(NCCNCCO)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,O=C(NCCNCCO)CCCCCCCC=CCC=CCC=CCC.CC(O)=O,"InChI=1/C22H40N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h3-4,6-7,9-10,23,25H,2,5,8,11-21H2,1H3,(H,24,26);1H3,(H,3,4)",C22H40N2O2.C2H4O2,,,,,,JTOSILIGCQKRNW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.622,303-031-0,94139-15-8,Sucrose hexamyristate,"1,3,4-tri-O-tetradecanoyl-beta-D-fructofuranosyl 2,3,4-tri-O-tetradecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,"InChI=1/C96H178O17/c1-7-13-19-25-31-37-43-49-55-61-67-73-84(99)105-81-96(94(111-89(104)78-72-66-60-54-48-42-36-30-24-18-12-6)91(83(80-98)112-96)108-86(101)75-69-63-57-51-45-39-33-27-21-15-9-3)113-95-93(110-88(103)77-71-65-59-53-47-41-35-29-23-17-11-5)92(109-87(102)76-70-64-58-52-46-40-34-28-22-16-10-4)90(82(79-97)106-95)107-85(100)74-68-62-56-50-44-38-32-26-20-14-8-2/h82-83,90-95,97-98H,7-81H2,1-6H3",C96H178O17,,,,,,PAOHIYIQVZWVBD-IZYOOIPKSA-N,,,,,,,,,,,
100.093.624,303-033-1,94139-17-0,Sucrose tetramyristate,"3,4-di-O-tetradecanoyl-beta-D-fructofuranosyl 2,3-di-O-tetradecanoyl-alpha-D-glucopyranoside",CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCC,"InChI=1/C68H126O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-58(72)78-63-57(54-70)82-68(55-71,66(63)81-61(75)52-48-44-40-36-32-28-24-20-16-12-8-4)83-67-65(80-60(74)51-47-43-39-35-31-27-23-19-15-11-7-3)64(62(76)56(53-69)77-67)79-59(73)50-46-42-38-34-30-26-22-18-14-10-6-2/h56-57,62-67,69-71,76H,5-55H2,1-4H3",C68H126O15,,,,,,ZSORDERBHACQQH-PTUKTWBESA-N,,,,,,,,,,,
100.093.881,303-315-4,94160-32-4,"1,4,12-trimethyl-14-oxo-8-[2-[(1-oxoallyl)oxy]propoxy]-3,6,10,13-tetraoxahexadec-15-en-1-yl acrylate","4-{[2-(acryloyloxy)propoxy]methyl}-1,8,11-trimethyl-13-oxo-3,6,9,12-tetraoxapentadec-14-en-1-yl acrylate",CC(COCC(COCC(C)OC(=O)C=C)OCC(C)OC(=O)C=C)OCC(C)OC(=O)C=C,CC(COCC(COCC(C)OC(=O)C=C)OCC(C)OC(=O)C=C)OCC(C)OC(=O)C=C,"InChI=1/C24H38O10/c1-8-22(25)32-18(5)12-29-16-21(31-14-20(7)34-24(27)10-3)15-28-11-17(4)30-13-19(6)33-23(26)9-2/h8-10,17-21H,1-3,11-16H2,4-7H3",C24H38O10,,,,,,PWFXFAXUOCRECU-UHFFFAOYSA-N,,,,,,,,,,,
100.093.885,303-320-1,94160-36-8,Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate,isobutyl 4-(4-chloro-2-methylphenoxy)butanoate,CC(C)COC(=O)CCCOc1ccc(Cl)cc1C,CC(C)COC(=O)CCCOc1ccc(Cl)cc1C,"InChI=1/C15H21ClO3/c1-11(2)10-19-15(17)5-4-8-18-14-7-6-13(16)9-12(14)3/h6-7,9,11H,4-5,8,10H2,1-3H3",C15H21ClO3,,,,,,YWYRKYNYHRGXSR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.905,303-342-1,94166-47-9,5-[[5-(benzoylamino)-2-[[2-[(4-ethoxy-3-sulphophenyl)hydrazono]-1-methylnonadecylidene]hydrazino]phenyl]sulphonyl]salicylic acid,5-{[5-(benzoylamino)-2-(2-{2-[(4-ethoxy-3-sulfophenyl)hydrazono]-1-methylnonadecylidene}hydrazino)phenyl]sulfonyl}-2-hydroxybenzoic acid,CCOc1ccc(cc1S(O)(=O)=O)NN=C(CCCCCCCCCCCCCCCCC)C(C)=NNc3ccc(NC(=O)c2ccccc2)cc3S(=O)(=O)c4cc(C(O)=O)c(O)cc4,CCOc1ccc(cc1S(O)(=O)=O)NN=C(CCCCCCCCCCCCCCCCC)C(C)=NNc3ccc(NC(=O)c2ccccc2)cc3S(=O)(=O)c4cc(C(O)=O)c(O)cc4,"InChI=1/C48H63N5O10S2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(52-51-38-27-31-44(63-5-2)46(33-38)65(60,61)62)35(3)50-53-42-29-26-37(49-47(55)36-23-20-19-21-24-36)32-45(42)64(58,59)39-28-30-43(54)40(34-39)48(56)57/h19-21,23-24,26-34,51,53-54H,4-18,22,25H2,1-3H3,(H,49,55)(H,56,57)(H,60,61,62)",C48H63N5O10S2,,,,,,MFSXNBQUQUVXJV-UHFFFAOYSA-N,,,,,,,,,,,
100.093.911,303-348-4,94166-53-7,"1,3-bis(2-chloro-6-methylphenoxy)propan-2-ol","1,3-bis(2-chloro-6-methylphenoxy)propan-2-ol",Cc1cccc(Cl)c1OCC(O)COc2c(C)cccc2Cl,Cc1cccc(Cl)c1OCC(O)COc2c(C)cccc2Cl,"InChI=1/C17H18Cl2O3/c1-11-5-3-7-14(18)16(11)21-9-13(20)10-22-17-12(2)6-4-8-15(17)19/h3-8,13,20H,9-10H2,1-2H3",C17H18Cl2O3,,,,,,LTZUNDGTKZEXKS-UHFFFAOYSA-N,,,,,,,,,,,
100.093.912,303-350-5,94166-54-8,"N-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]-5-nitropyridin-2-amine","N-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]-5-nitropyridin-2-amine",Cc1ccc(CNc2ccc(cn2)[N+](=O)[O-])n1C,Cc1ccc(CNc2ccc(cn2)[N+](=O)[O-])n1C,"InChI=1/C12H14N4O2/c1-9-3-4-10(15(9)2)7-13-12-6-5-11(8-14-12)16(17)18/h3-6,8H,7H2,1-2H3,(H,13,14)",C12H14N4O2,,,,,,ZNARHGSNENBSAJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.914,303-352-6,94166-56-0,6-methoxy-3-nitro-N-propylpyridin-2-amine,6-methoxy-3-nitro-N-propylpyridin-2-amine,CCCNc1nc(OC)ccc1[N+](=O)[O-],CCCNc1nc(OC)ccc1[N+](=O)[O-],"InChI=1/C9H13N3O3/c1-3-6-10-9-7(12(13)14)4-5-8(11-9)15-2/h4-5H,3,6H2,1-2H3,(H,10,11)",C9H13N3O3,,,,,,MVGVWQWWDOENQW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.916,303-354-7,94166-58-2,6-methoxy-N-methyl-3-nitropyridin-2-amine,6-methoxy-N-methyl-3-nitropyridin-2-amine,CNc1nc(OC)ccc1[N+](=O)[O-],CNc1nc(OC)ccc1[N+](=O)[O-],"InChI=1/C7H9N3O3/c1-8-7-5(10(11)12)3-4-6(9-7)13-2/h3-4H,1-2H3,(H,8,9)",C7H9N3O3,,,,,,RSFNGZVULJTWHW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.922,303-361-5,94166-64-0,2-chloro-6-nitropyridine,2-chloro-6-nitropyridine,[O-][N+](=O)c1cccc(Cl)n1,[O-][N+](=O)c1cccc(Cl)n1,InChI=1/C5H3ClN2O2/c6-4-2-1-3-5(7-4)8(9)10/h1-3H,C5H3ClN2O2,,,,,,YRSNXUYQRUULNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.923,303-362-0,94166-65-1,"N2-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]pyridine-2,5-diamine dihydrochloride","N~2~-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]pyridine-2,5-diamine dihydrochloride",Cl.Cl.Cc1ccc(CNc2ccc(N)cn2)n1C,Cl.Cl.Cc1ccc(CNc2ccc(N)cn2)n1C,"InChI=1/C12H16N4.2ClH/c1-9-3-5-11(16(9)2)8-15-12-6-4-10(13)7-14-12;;/h3-7H,8,13H2,1-2H3,(H,14,15);2*1H",C12H16N4.2ClH,,,,,,XUZTVIMQPUXBGC-UHFFFAOYSA-N,,,,,,,,,,,
100.093.925,303-364-1,94166-67-3,"Triammonium 5-aminonaphthalene-1,3,6-trisulphonate","triammonium 5-aminonaphthalene-1,3,6-trisulfonate",[NH4+].[NH4+].[NH4+].Nc1c(ccc2c(cc(cc12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],[NH4+].[NH4+].[NH4+].Nc1c(ccc2c(cc(cc12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H9NO9S3.3H3N/c11-10-7-3-5(21(12,13)14)4-9(23(18,19)20)6(7)1-2-8(10)22(15,16)17;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);3*1H3",C10H9NO9S3.3H3N,,,,,,KADOGNWIYYUFBI-UHFFFAOYSA-N,,,,,,,,,,,
100.093.928,303-367-8,94166-70-8,Sodium 2-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonate,sodium 2-hydroxy-3-[(2-hydroxy-1-naphthyl)diazenyl]-5-nitrobenzenesulfonate,[Na+].Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O)S([O-])(=O)=O,[Na+].Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O)S([O-])(=O)=O,"InChI=1/C16H11N3O7S.Na/c20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1",C16H11N3O7S.Na,,,,,,RKSPVXPJJQJMPL-UHFFFAOYSA-M,,,,,,,,,,,
100.093.932,303-372-5,94166-74-2,5-[(4-amino-5-hydroxy-o-tolyl)azo]-2-chlorobenzenesulphonic acid,5-[(4-amino-5-hydroxy-2-methylphenyl)diazenyl]-2-chlorobenzenesulfonic acid,O=S(O)(=O)c1cc(ccc1Cl)N=Nc2cc(O)c(N)cc2C,O=S(O)(=O)c1cc(ccc1Cl)N=Nc2cc(O)c(N)cc2C,"InChI=1/C13H12ClN3O4S/c1-7-4-10(15)12(18)6-11(7)17-16-8-2-3-9(14)13(5-8)22(19,20)21/h2-6,18H,15H2,1H3,(H,19,20,21)",C13H12ClN3O4S,,,,,,IISWXNSPKOUXPH-UHFFFAOYSA-N,,,,,,,,,,,
100.093.936,303-376-7,94166-78-6,5-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate,2-isocyanato-4-[(2-isocyanatocyclohexyl)methyl]-1-methylbenzene,Cc1ccc(CC2CCCCC2N=C=O)cc1N=C=O,Cc1ccc(CC2CCCCC2N=C=O)cc1N=C=O,"InChI=1/C16H18N2O2/c1-12-6-7-13(9-16(12)18-11-20)8-14-4-2-3-5-15(14)17-10-19/h6-7,9,14-15H,2-5,8H2,1H3",C16H18N2O2,,,,,,FMDRDYRSPCQUOF-UHFFFAOYSA-N,,,,,,,,,,,
100.093.937,303-377-2,94166-79-7,3-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate,1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methylbenzene,Cc1c(CC2CCCCC2N=C=O)cccc1N=C=O,Cc1c(CC2CCCCC2N=C=O)cccc1N=C=O,"InChI=1/C16H18N2O2/c1-12-13(6-4-8-15(12)17-10-19)9-14-5-2-3-7-16(14)18-11-20/h4,6,8,14,16H,2-3,5,7,9H2,1H3",C16H18N2O2,,,,,,HVZNNFVEMZLASN-UHFFFAOYSA-N,,,,,,,,,,,
100.093.939,303-379-3,94166-81-1,5-[(2-aminocyclohexyl)methyl]-o-toluidine,5-[(2-aminocyclohexyl)methyl]-2-methylaniline,Cc1ccc(CC2CCCCC2N)cc1N,Cc1ccc(CC2CCCCC2N)cc1N,"InChI=1/C14H22N2/c1-10-6-7-11(9-14(10)16)8-12-4-2-3-5-13(12)15/h6-7,9,12-13H,2-5,8,15-16H2,1H3",C14H22N2,,,,,,NUJPGASUAKAPHT-UHFFFAOYSA-N,,,,,,,,,,,
100.093.942,303-383-5,94166-84-4,5-(o-isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate,"1,5-diisocyanato-3-(2-isocyanatobenzyl)-2-methylbenzene",Cc1c(Cc2ccccc2N=C=O)cc(cc1N=C=O)N=C=O,Cc1c(Cc2ccccc2N=C=O)cc(cc1N=C=O)N=C=O,"InChI=1/C17H11N3O3/c1-12-14(6-13-4-2-3-5-16(13)19-10-22)7-15(18-9-21)8-17(12)20-11-23/h2-5,7-8H,6H2,1H3",C17H11N3O3,,,,,,NUPFKDQTOQCZOA-UHFFFAOYSA-N,,,,,,,,,,,
100.093.978,303-422-6,94199-49-2,"(2,3-dihydroxypropyl) hydrogen succinate","4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid",OCC(O)COC(=O)CCC(=O)O,OCC(O)COC(=O)CCC(=O)O,"InChI=1/C7H12O6/c8-3-5(9)4-13-7(12)2-1-6(10)11/h5,8-9H,1-4H2,(H,10,11)",C7H12O6,,,,,,DQHHKFVACXSZHQ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.980,303-424-7,94199-51-6,Sodium 5-amino-2-dodecylbenzenesulphonate,sodium 5-amino-2-dodecylbenzenesulfonate,[Na+].CCCCCCCCCCCCc1ccc(N)cc1S(=O)(=O)[O-],[Na+].CCCCCCCCCCCCc1ccc(N)cc1S(=O)(=O)[O-],"InChI=1/C18H31NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)23(20,21)22;/h13-15H,2-12,19H2,1H3,(H,20,21,22);/q;+1/p-1",C18H31NO3S.Na,,,,,,YWFTUCSGHSJLFY-UHFFFAOYSA-M,,,,,,,,,,,
100.093.983,303-427-3,94199-54-9,"4-[(4-chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide","4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide",[O-][N+](=O)c3cc(Cl)ccc3N=NC2\\C(=N/N(c1ccccc1)C2=O)C(N)=O,[O-][N+](=O)c3cc(Cl)ccc3N=NC2\C(=N/N(c1ccccc1)C2=O)C(N)=O,"InChI=1/C16H11ClN6O4/c17-9-6-7-11(12(8-9)23(26)27)19-20-14-13(15(18)24)21-22(16(14)25)10-4-2-1-3-5-10/h1-8,14H,(H2,18,24)",C16H11ClN6O4,,,,,,NIGCSZDGWBXICR-UHFFFAOYSA-N,,,,,,,,,,,
100.093.986,303-431-5,94199-57-2,N-(2-ethoxyphenyl)-3-hydroxy-4-[(2-nitrophenyl)azo]naphthalene-2-carboxamide,N-(2-ethoxyphenyl)-3-hydroxy-4-[(2-nitrophenyl)diazenyl]-2-naphthamide,CCOc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccccc2[N+]([O-])=O)c3O,CCOc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2ccccc2[N+]([O-])=O)c3O,"InChI=1/C25H20N4O5/c1-2-34-22-14-8-6-12-20(22)26-25(31)18-15-16-9-3-4-10-17(16)23(24(18)30)28-27-19-11-5-7-13-21(19)29(32)33/h3-15,30H,2H2,1H3,(H,26,31)",C25H20N4O5,,,,,,SVVCPEQGLYFCAX-UHFFFAOYSA-N,,,,,,,,,,,
100.093.987,303-432-0,94199-58-3,2-acetyl-4-nitro-1-nitrosoanthraquinone,"2-acetyl-4-nitro-1-nitroso-9,10-anthraquinone",CC(=O)c1cc(c2C(=O)c3ccccc3C(=O)c2c1N=O)[N+](=O)[O-],CC(=O)c1cc(c2C(=O)c3ccccc3C(=O)c2c1N=O)[N+](=O)[O-],"InChI=1/C16H8N2O6/c1-7(19)10-6-11(18(23)24)12-13(14(10)17-22)16(21)9-5-3-2-4-8(9)15(12)20/h2-6H,1H3",C16H8N2O6,,,,,,CSJUKGNLUWPQDW-UHFFFAOYSA-N,,,,,,,,,,,
100.093.991,303-436-2,94199-62-9,"[2-(henicos-12-enyl)-4,5-dihydro-4-(hydroxymethyl)-4-oxazolidinyl]methyl docos-13-enoate","[2-henicos-12-en-1-yl-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methyl docos-13-enoate",CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC1(COC(CCCCCCCCCCCC=CCCCCCCCC)N1)CO,CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC1(COC(CCCCCCCCCCCC=CCCCCCCCC)N1)CO,"InChI=1/C48H91NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46-49-48(43-50,44-52-46)45-53-47(51)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,46,49-50H,3-16,21-45H2,1-2H3",C48H89NO4,,,,,,HCQJDCWTDOGGOJ-UHFFFAOYSA-N,,,,,,,,,,,
100.093.999,303-445-1,94199-71-0,Sodium 6-[methyl(phenylsulphonyl)amino]hexanoate,sodium 6-[methyl(phenylsulfonyl)amino]hexanoate,[Na+].CN(CCCCCC(=O)[O-])S(=O)(=O)c1ccccc1,[Na+].CN(CCCCCC(=O)[O-])S(=O)(=O)c1ccccc1,"InChI=1/C13H19NO4S.Na/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);/q;+1/p-1",C13H19NO4S.Na,,,,,,UYNVFCVPMFZLSK-UHFFFAOYSA-M,,,,,,,,,,,
100.094.131,303-591-6,94201-09-9,[2-(2-methylbutoxy)ethyl]benzene,[2-(2-methylbutoxy)ethyl]benzene,CCC(C)COCCc1ccccc1,CCC(C)COCCc1ccccc1,"InChI=1/C13H20O/c1-3-12(2)11-14-10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3",C13H20O,,,,,,SEICEBVLIVBNTL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.133,303-593-7,94201-11-3,a-methylcyclooct-1-ene-1-propionaldehyde,3-cyclooct-1-en-1-yl-2-methylpropanal,CC(CC1=CCCCCCC1)C=O,CC(CC1=CCCCCCC1)C=O,"InChI=1/C12H20O/c1-11(10-13)9-12-7-5-3-2-4-6-8-12/h7,10-11H,2-6,8-9H2,1H3",C12H20O,,,,,,KEEMHCSHXIQTKW-KPKJPENVSA-N,,,,,,,,,,,
100.094.145,303-607-1,94201-23-7,"3,6,6,8-tetramethyl-1-oxaspiro[4.4]nonan-2-one","3,6,6,8-tetramethyl-1-oxaspiro[4.4]nonan-2-one",CC1CC(C)(C)C2(C1)CC(C)C(=O)O2,CC1CC(C)(C)C2(C1)CC(C)C(=O)O2,"InChI=1/C12H20O2/c1-8-5-11(3,4)12(6-8)7-9(2)10(13)14-12/h8-9H,5-7H2,1-4H3",C12H20O2,,,,,,SRBBNOADJAJPQO-UHFFFAOYSA-N,,,,,,,,,,,
100.094.156,303-619-7,94201-34-0,"2,4,8-trimethylnona-1,7-dien-4-ol","2,4,8-trimethylnona-1,7-dien-4-ol",CC(=CCCC(C)(O)CC(=C)C)C,CC(=CCCC(C)(O)CC(=C)C)C,"InChI=1/C12H22O/c1-10(2)7-6-8-12(5,13)9-11(3)4/h7,13H,3,6,8-9H2,1-2,4-5H3",C12H22O,,,,,,YSPKCLKSIHQLPT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.157,303-620-2,94201-35-1,"1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate","1,5-dimethyl-1-(2-methylprop-2-en-1-yl)hex-4-en-1-yl acetate",CC(=CCCC(C)(CC(=C)C)OC(=O)C)C,CC(=CCCC(C)(CC(=C)C)OC(=O)C)C,"InChI=1/C14H24O2/c1-11(2)8-7-9-14(6,10-12(3)4)16-13(5)15/h8H,3,7,9-10H2,1-2,4-6H3",C14H24O2,,,,,,TZZHLXPJOWLPFA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.162,303-626-5,94201-40-8,1-phenylpiperidine-4-carboxylic acid,1-phenylpiperidine-4-carboxylic acid,OC(=O)C1CCN(CC1)c2ccccc2,OC(=O)C1CCN(CC1)c2ccccc2,"InChI=1/C12H15NO2/c14-12(15)10-6-8-13(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)",C12H15NO2,,,,,,IXLCEJNZWAYHPL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.163,303-627-0,94201-41-9,D-glucitol 3-(bromoacetate),3-O-(bromoacetyl)-D-glucitol,OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@@H](O)CO,OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@@H](O)CO,"InChI=1/C8H15BrO7/c9-1-6(14)16-8(5(13)3-11)7(15)4(12)2-10/h4-5,7-8,10-13,15H,1-3H2",C8H15BrO7,,,,,,OSBOGWJBMWVGFO-IXROVEORSA-N,,,,,,,,,,,
100.094.165,303-629-1,94201-43-1,"Dipotassium 2,2'-[oxybis(2,1-ethanediyloxy)]bisacetate","dipotassium 2,2'-[oxybis(ethane-2,1-diyloxy)]diacetate",[K+].[K+].[O-]C(=O)COCCOCCOCC(=O)[O-],[K+].[K+].[O-]C(=O)COCCOCCOCC(=O)[O-],"InChI=1/C8H14O7.2K/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12;;/h1-6H2,(H,9,10)(H,11,12);;/q;2*+1/p-2",C8H14O7.2K,,,,,,FNUHSPUPCVFIIH-UHFFFAOYSA-L,,,,,,,,,,,
100.094.171,303-635-4,94201-49-7,"Sodium 1-benzyl-5,5-diethylbarbiturate","sodium 1-benzyl-5,5-diethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate",[Na+].CCC1(CC)C(=O)N=C([O-])N(Cc2ccccc2)C1=O,[Na+].CCC1(CC)C(=O)N=C([O-])N(Cc2ccccc2)C1=O,"InChI=1/C15H18N2O3.Na/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)10-11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3,(H,16,18,20);/q;+1/p-1",C15H18N2O3.Na,,,,,,BZXGMPMMCUFEBT-UHFFFAOYSA-M,,,,,,,,,,,
100.094.177,303-642-2,94201-55-5,5-fluoro-p-terphenyl-2-ol,"5-fluoro-1,1':4',1''-terphenyl-2-ol",Oc1ccc(F)cc1c2ccc(cc2)c3ccccc3,Oc1ccc(F)cc1c2ccc(cc2)c3ccccc3,"InChI=1/C18H13FO/c19-16-10-11-18(20)17(12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,20H",C18H13FO,,,,,,ZUSSHEMHAGPZTJ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.180,303-645-9,94201-58-8,"3-ethynyl-1,1-divinylurea","3-ethynyl-1,1-divinylurea",C=CN(C=C)C(=O)NC#C,C=CN(C=C)C(=O)NC#C,"InChI=1/C7H8N2O/c1-4-8-7(10)9(5-2)6-3/h1,5-6H,2-3H2,(H,8,10)",C7H8N2O,,,,,,MATXBZKMNIJCBX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.181,303-646-4,94201-59-9,"1-benzyl-3-carboxylatopyridinium, compound with (carboxylatomethyl)trimethylammonium (1:1)",(trimethylammonio)acetate - 1-benzylpyridinium-3-carboxylate (1:1),C[N+](C)(C)CC(=O)[O-].[O-]C(=O)c1ccc[n+](Cc2ccccc2)c1,C[N+](C)(C)CC(=O)[O-].[O-]C(=O)c1ccc[n+](Cc2ccccc2)c1,"InChI=1/C13H11NO2.C5H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;1-6(2,3)4-5(7)8/h1-8,10H,9H2;4H2,1-3H3",C13H11NO2.C5H11NO2,,,,,,DKLOMERVHYRAOE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.185,303-651-1,94201-63-5,Tetrahydrofurfuryl myristate,tetrahydrofuran-2-ylmethyl myristate,CCCCCCCCCCCCCC(=O)OCC1CCCO1,CCCCCCCCCCCCCC(=O)OCC1CCCO1,"InChI=1/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-19(20)22-17-18-14-13-16-21-18/h18H,2-17H2,1H3",C19H36O3,,,,,,OKDDONFWHSATNB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.189,303-655-3,94201-67-9,"Tetrahydro-6-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2H-pyran-2-one","6-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)tetrahydro-2H-pyran-2-one",CC1CC(CC(=O)O1)C2=C(C)CCCC2(C)C,CC1CC(CC(=O)O1)C2=C(C)CCCC2(C)C,"InChI=1/C15H24O2/c1-10-6-5-7-15(3,4)14(10)12-8-11(2)17-13(16)9-12/h11-12H,5-9H2,1-4H3",C15H24O2,,,,,,ONIZTRJZTIXSPV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.190,303-656-9,94201-68-0,"Isobutyl 1,2,3,4,5,6,7,8-octahydro-2,8,8-trimethyl-2-naphthoate","isobutyl 2,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylate",CC(C)COC(=O)C1(C)CCC2=C(C1)C(C)(C)CCC2,CC(C)COC(=O)C1(C)CCC2=C(C1)C(C)(C)CCC2,"InChI=1/C18H30O2/c1-13(2)12-20-16(19)18(5)10-8-14-7-6-9-17(3,4)15(14)11-18/h13H,6-12H2,1-5H3",C18H30O2,,,,,,QWLXSPZLVCBDHM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.197,303-664-2,94201-75-9,"4,4a,5,6-tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one","6-isopropyl-4,4a-dimethyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one",CC(C)C1CC2(C)C(C)CC(=O)C=C2C=C1,CC(C)C1CC2(C)C(C)CC(=O)C=C2C=C1,"InChI=1/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h5-6,8,10-12H,7,9H2,1-4H3",C15H22O,,,,,,JTDZJRBVWBCEDX-UHFFFAOYSA-N,,,,,,,,,,,
100.094.198,303-665-8,94201-76-0,"2,6-dimethyloct-7-en-4-ol","2,6-dimethyloct-7-en-4-ol",CC(C)CC(O)CC(C)C=C,CC(C)CC(O)CC(C)C=C,"InChI=1/C10H20O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-11H,1,6-7H2,2-4H3",C10H20O,,,,,,GXRZVRGDJQMNEL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.204,303-672-6,94201-82-8,Sodium 4-[[(1-oxooctadecyl)amino]carbonyl]benzoate,sodium 4-(stearoylcarbamoyl)benzoate,[Na+].CCCCCCCCCCCCCCCCCC(=O)NC(=O)c1ccc(cc1)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCC(=O)NC(=O)c1ccc(cc1)C(=O)[O-],"InChI=1/C26H41NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-25(29)22-18-20-23(21-19-22)26(30)31;/h18-21H,2-17H2,1H3,(H,30,31)(H,27,28,29);/q;+1/p-1",C26H41NO4.Na,,,,,,PCYDUGMBAYGAAR-UHFFFAOYSA-M,,,,,,,,,,,
100.094.215,303-684-1,94201-93-1,"5-oxo-DL-proline, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)","5-oxo-L-proline - 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (1:1)",CN1C(=O)N(C)c2[nH]cnc2C1=O.OC(=O)[C@@H]3CCC(=O)N3,CN1C(=O)N(C)c2[nH]cnc2C1=O.OC(=O)[C@@H]3CCC(=O)N3,"InChI=1/C7H8N4O2.C5H7NO3/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-4-2-1-3(6-4)5(8)9/h3H,1-2H3,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)",C7H8N4O2.C5H7NO3,,,,,,KRQKQCIGPPVIOK-HVDRVSQOSA-N,,,,,,,,,,,
100.094.218,303-687-8,94201-96-4,"4-oxo-4-(2,4,6-trimethoxyphenyl)-2-butenoic acid","4-oxo-4-(2,4,6-trimethoxyphenyl)but-2-enoic acid",COc1cc(cc(OC)c1C(=O)C=CC(O)=O)OC,COc1cc(cc(OC)c1C(=O)C=CC(O)=O)OC,"InChI=1/C13H14O6/c1-17-8-6-10(18-2)13(11(7-8)19-3)9(14)4-5-12(15)16/h4-7H,1-3H3,(H,15,16)",C13H14O6,,,,,,JGSSWWVFPVCZCM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.227,303-697-2,94202-05-8,Tetraammonium [(hexylimino)bis(methylene)]bisphosphonate,tetraammonium [(hexylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C8H21NO6P2.4H3N/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);4*1H3",C8H21NO6P2.4H3N,,,,,,RYIVWJRCRPQGBL-UHFFFAOYSA-N,,,,,,,,,,,
100.094.228,303-698-8,94202-06-9,Tetraammonium [(heptylimino)bis(methylene)]bisphosphonate,tetraammonium [(heptylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C9H23NO6P2.4H3N/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);4*1H3",C9H23NO6P2.4H3N,,,,,,NABPSOMSTWNYCS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.229,303-699-3,94202-07-0,Tetraammonium [(octylimino)bis(methylene)]bisphosphonate,tetraammonium [(octylimino)bis(methylene)]bis(phosphonate),[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C10H25NO6P2.4H3N/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);4*1H3",C10H25NO6P2.4H3N,,,,,,ROGYYLQRCJOSSN-UHFFFAOYSA-N,,,,,,,,,,,
100.094.231,303-701-2,94202-09-2,"Tetraammonium [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate","tetraammonium {[(3,5,5-trimethylhexyl)imino]bis(methylene)}bis(phosphonate)",[NH4+].[NH4+].[NH4+].[NH4+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,[NH4+].[NH4+].[NH4+].[NH4+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C,"InChI=1/C11H27NO6P2.4H3N/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);4*1H3",C11H27NO6P2.4H3N,,,,,,ATFJFVFPLSFJMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.234,303-704-9,94202-12-7,2-(heptyloxy)-3-methylcyclopent-2-en-1-one,2-(heptyloxy)-3-methylcyclopent-2-en-1-one,CCCCCCCOC1=C(C)CCC1=O,CCCCCCCOC1=C(C)CCC1=O,"InChI=1/C13H22O2/c1-3-4-5-6-7-10-15-13-11(2)8-9-12(13)14/h3-10H2,1-2H3",C13H22O2,,,,,,DTNSBJIEHMLBJE-UHFFFAOYSA-N,,,,,,,,,,,
100.094.238,303-709-6,94202-16-1,"Sebacic acid, compound with 2,2',2''-nitrilotriethanol (1:1)","decanedioic acid - 2,2',2''-nitrilotriethanol (1:1)",OCCN(CCO)CCO.OC(=O)CCCCCCCCC(=O)O,OCCN(CCO)CCO.OC(=O)CCCCCCCCC(=O)O,"InChI=1/C10H18O4.C6H15NO3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;8-4-1-7(2-5-9)3-6-10/h1-8H2,(H,11,12)(H,13,14);8-10H,1-6H2",C10H18O4.C6H15NO3,,,,,,LDTRLQFRPHFLGA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.239,303-710-1,94202-17-2,"tert-butyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate","tert-butyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate",CC(C)(C)OS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,CC(C)(C)OS(=O)(=O)c1cccc2C(=O)C(=[N+]=[N-])C=Cc12,"InChI=1/C14H14N2O4S/c1-14(2,3)20-21(18,19)12-6-4-5-10-9(12)7-8-11(16-15)13(10)17/h4-8H,1-3H3",C14H14N2O4S,,,,,,WKDVTRCQGQPBNB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.248,303-720-6,94213-18-0,S-[5-[(p-chloroanilino)sulphonyl]benzothiazol-2-yl] O-cyclohexyl thiocarbonate,"S-{5-[(4-chlorophenyl)sulfamoyl]-1,3-benzothiazol-2-yl} O-cyclohexyl thiocarbonate",Clc1ccc(NS(=O)(=O)c2ccc3sc(SC(=O)OC4CCCCC4)nc3c2)cc1,Clc1ccc(NS(=O)(=O)c2ccc3sc(SC(=O)OC4CCCCC4)nc3c2)cc1,"InChI=1/C20H19ClN2O4S3/c21-13-6-8-14(9-7-13)23-30(25,26)16-10-11-18-17(12-16)22-19(28-18)29-20(24)27-15-4-2-1-3-5-15/h6-12,15,23H,1-5H2",C20H19ClN2O4S3,,,,,,WKRUUBJGVXQZJR-UHFFFAOYSA-N,,,,,,,,,,,
100.094.375,303-859-2,94231-42-2,3-ethyl-3-hydroxy-7-oxabicyclo[4.1.0]hept-2-yl acrylate,3-ethyl-3-hydroxy-7-oxabicyclo[4.1.0]hept-2-yl acrylate,CCC1(O)CCC2OC2C1OC(=O)C=C,CCC1(O)CCC2OC2C1OC(=O)C=C,"InChI=1/C11H16O4/c1-3-8(12)15-10-9-7(14-9)5-6-11(10,13)4-2/h3,7,9-10,13H,1,4-6H2,2H3",C11H16O4,,,,,,JKXPMYGCURNNGT-UHFFFAOYSA-N,,,,,,,,,,,
100.094.380,303-865-5,94231-47-7,2-ethylhexyl cyclopentanecarboxylate,2-ethylhexyl cyclopentanecarboxylate,CCCCC(CC)COC(=O)C1CCCC1,CCCCC(CC)COC(=O)C1CCCC1,"InChI=1/C14H26O2/c1-3-5-8-12(4-2)11-16-14(15)13-9-6-7-10-13/h12-13H,3-11H2,1-2H3",C14H26O2,,,,,,PISFVCYDRLJBQS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.383,303-868-1,94231-50-2,"2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenyl acetate","2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-yl acetate",CC(=O)OCC(=CCC1C\\C=C(\\C)C1(C)C)CC,CC(=O)OCC(=CCC1C\C=C(\C)C1(C)C)CC,"InChI=1/C16H26O2/c1-6-14(11-18-13(3)17)8-10-15-9-7-12(2)16(15,4)5/h7-8,15H,6,9-11H2,1-5H3",C16H26O2,,,,,,NBMXNMWUUZTCKQ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.385,303-870-2,94231-52-4,"Decahydro-5-(2-methoxyethyl)-1,1,4a,6-tetramethylnaphthalene","5-(2-methoxyethyl)-1,1,4a,6-tetramethyldecahydronaphthalene",COCCC1C(C)CCC2C(C)(C)CCCC12C,COCCC1C(C)CCC2C(C)(C)CCCC12C,"InChI=1/C17H32O/c1-13-7-8-15-16(2,3)10-6-11-17(15,4)14(13)9-12-18-5/h13-15H,6-12H2,1-5H3",C17H32O,,,,,,LXWCVAXEJGDEHC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.386,303-871-8,94231-53-5,"Ethyl decahydro-2,5,5,8a-tetramethylnaphthalene-1-acetate","ethyl (2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)acetate",CCOC(=O)CC1C(C)CCC2C(C)(C)CCCC12C,CCOC(=O)CC1C(C)CCC2C(C)(C)CCCC12C,"InChI=1/C18H32O2/c1-6-20-16(19)12-14-13(2)8-9-15-17(3,4)10-7-11-18(14,15)5/h13-15H,6-12H2,1-5H3",C18H32O2,,,,,,PWHGVWUKASOUNS-UHFFFAOYSA-N,,,,,,,,,,,
100.094.389,303-874-4,94231-56-8,"Bis(2-hydroxyethyl)ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl) phosphate","2-hydroxy-N-(2-hydroxyethyl)ethanaminium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl] phosphate",OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C30H9F54O4P.C4H11NO2/c31-5(32,9(37,38)13(45,46)17(53,54)21(61,62)25(69,70)23(65,66)19(57,58)15(49,50)11(41,42)7(35,27(73,74)75)28(76,77)78)1-3-87-89(85,86)88-4-2-6(33,34)10(39,40)14(47,48)18(55,56)22(63,64)26(71,72)24(67,68)20(59,60)16(51,52)12(43,44)8(36,29(79,80)81)30(82,83)84;6-3-1-5-2-4-7/h1-4H2,(H,85,86);5-7H,1-4H2",C30H9F54O4P.C4H11NO2,,,,,,PJCSMHUFJKMRFC-UHFFFAOYSA-N,,,,,,,,,,,
100.094.391,303-877-0,94231-58-0,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(vinyloxy)undecane","1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(vinyloxy)undecane",FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC=C,FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC=C,"InChI=1/C13H6F20O/c1-2-34-3-5(16,17)7(20,21)9(24,25)11(28,29)13(32,33)12(30,31)10(26,27)8(22,23)6(18,19)4(14)15/h2,4H,1,3H2",C13H6F20O,,,,,,UBJGZTCVIFHNPM-UHFFFAOYSA-N,,,,,,,,,,,
100.094.392,303-878-6,94231-59-1,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl dihydrogen phosphate","3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl dihydrogen phosphate",OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C19H6F35O4P/c20-3(21,1-2-58-59(55,56)57)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)16(45,46)14(41,42)12(37,38)10(33,34)8(29,30)6(25,26)4(22,18(49,50)51)19(52,53)54/h1-2H2,(H2,55,56,57)",C19H6F35O4P,,,,,,VHQPVCVRRDZXSW-UHFFFAOYSA-N,,,,,,,,,,,
100.094.393,303-879-1,94231-60-4,Potassium 3-sulphonatopropyl undec-10-enoate,potassium 3-(undec-10-enoyloxy)propane-1-sulfonate,[K+].[O-]S(=O)(=O)CCCOC(=O)CCCCCCCCC=C,[K+].[O-]S(=O)(=O)CCCOC(=O)CCCCCCCCC=C,"InChI=1/C14H26O5S.K/c1-2-3-4-5-6-7-8-9-11-14(15)19-12-10-13-20(16,17)18;/h2H,1,3-13H2,(H,16,17,18);/q;+1/p-1",C14H26O5S.K,,,,,,CBYOXZXUTDRRMQ-UHFFFAOYSA-M,,,,,,,,,,,
100.094.395,303-881-2,94231-62-6,"2,6-di-tert-butyl-3-ethylphenol","2,6-di-tert-butyl-3-ethylphenol",CCc1ccc(c(O)c1C(C)(C)C)C(C)(C)C,CCc1ccc(c(O)c1C(C)(C)C)C(C)(C)C,"InChI=1/C16H26O/c1-8-11-9-10-12(15(2,3)4)14(17)13(11)16(5,6)7/h9-10,17H,8H2,1-7H3",C16H26O,,,,,,SJJNVHBNVQEDBA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.397,303-883-3,94231-64-8,3-(hydroxymethyl)piperidine-1-ethanol,2-[3-(hydroxymethyl)piperidin-1-yl]ethanol,OCCN1CCCC(CO)C1,OCCN1CCCC(CO)C1,"InChI=1/C8H17NO2/c10-5-4-9-3-1-2-8(6-9)7-11/h8,10-11H,1-7H2",C8H17NO2,,,,,,VFSVQEBUBVGABB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.414,303-903-0,94231-81-9,"2-allyldecahydro-6-methyl-1,4-methanonaphthalene-6,7-diol","2-allyl-6-methyldecahydro-1,4-methanonaphthalene-6,7-diol",CC1(O)CC2C3CC(CC=C)C(C3)C2CC1O,CC1(O)CC2C3CC(CC=C)C(C3)C2CC1O,"InChI=1/C15H24O2/c1-3-4-9-5-10-6-11(9)12-7-14(16)15(2,17)8-13(10)12/h3,9-14,16-17H,1,4-8H2,2H3",C15H24O2,,,,,,IWEFLIJBBPZMBB-UHFFFAOYSA-N,,,,,,,,,,,
100.094.429,303-919-8,94231-96-6,"4,4'-dithiobis(salicylic) acid","4,4'-disulfanediylbis(2-hydroxybenzoic acid)",OC(=O)c1ccc(SSc2ccc(C(=O)O)c(O)c2)cc1O,OC(=O)c1ccc(SSc2ccc(C(=O)O)c(O)c2)cc1O,"InChI=1/C14H10O6S2/c15-11-5-7(1-3-9(11)13(17)18)21-22-8-2-4-10(14(19)20)12(16)6-8/h1-6,15-16H,(H,17,18)(H,19,20)",C14H10O6S2,,,,,,RYKHFZFTJQLJOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.094.435,303-926-6,94232-02-7,N-[5-methoxy-2-methyl-4-[(phenylsulphonyl)amino]phenyl]benzamide,N-{5-methoxy-2-methyl-4-[(phenylsulfonyl)amino]phenyl}benzamide,COc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c3ccccc3,COc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c3ccccc3,"InChI=1/C21H20N2O4S/c1-15-13-19(23-28(25,26)17-11-7-4-8-12-17)20(27-2)14-18(15)22-21(24)16-9-5-3-6-10-16/h3-14,23H,1-2H3,(H,22,24)",C21H20N2O4S,,,,,,OYMWMKWXGMRPEA-UHFFFAOYSA-N,,,,,,,,,,,
100.094.437,303-928-7,94232-04-9,p-nitrophenyl 3-amino-4-methoxybenzenesulphonate,4-nitrophenyl 3-amino-4-methoxybenzenesulfonate,COc1ccc(cc1N)S(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-],COc1ccc(cc1N)S(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-],"InChI=1/C13H12N2O6S/c1-20-13-7-6-11(8-12(13)14)22(18,19)21-10-4-2-9(3-5-10)15(16)17/h2-8H,14H2,1H3",C13H12N2O6S,,,,,,MKBHZWMFTFVMOV-UHFFFAOYSA-N,,,,,,,,,,,
100.094.456,303-949-1,94232-23-2,"N-(4,6-dimethyl-2-pyrimidinyl)-4-(methyleneamino)benzenesulphonamide","N-(4,6-dimethylpyrimidin-2-yl)-4-(methyleneamino)benzenesulfonamide",Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)N=C)n1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)N=C)n1,"InChI=1/C13H14N4O2S/c1-9-8-10(2)16-13(15-9)17-20(18,19)12-6-4-11(14-3)5-7-12/h4-8H,3H2,1-2H3,(H,15,16,17)",C13H14N4O2S,,,,,,XVGRQSRINPTMTF-UHFFFAOYSA-N,,,,,,,,,,,
100.094.461,303-954-9,94232-28-7,"L-glutamic acid, compound with 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (1:1)","L-glutamic acid - 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine (1:1)",COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.N[C@@H](CCC(=O)O)C(=O)O,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.N[C@@H](CCC(=O)O)C(=O)O,"InChI=1/C14H18N4O3.C5H9NO4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;6-3(5(9)10)1-2-4(7)8/h5-7H,4H2,1-3H3,(H4,15,16,17,18);3H,1-2,6H2,(H,7,8)(H,9,10)",C14H18N4O3.C5H9NO4,,,,,,NAMYMKQHASEADQ-HVDRVSQOSA-N,,,,,,,,,,,
100.094.470,303-964-3,94232-37-8,Sodium 4-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulphonate,sodium 4-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonate,[Na+].Oc1cc(cc2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc12)S(=O)(=O)[O-],[Na+].Oc1cc(cc2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc12)S(=O)(=O)[O-],"InChI=1/C17H12N2O7S.Na/c20-16-9-14(27(24,25)26)8-11-7-12(3-6-15(11)16)18-17(21)10-1-4-13(5-2-10)19(22)23;/h1-9,20H,(H,18,21)(H,24,25,26);/q;+1/p-1",C17H12N2O7S.Na,,,,,,MSXMLSRQONIBQV-UHFFFAOYSA-M,,,,,,,,,,,
100.094.472,303-966-4,94232-39-0,Bismuth(3+) D-gluconate (1:3),"bismuth(3+) tris(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",[BiH3+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],[BiH3+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-],"InChI=1/3C6H12O7.Bi.3H/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;/h3*2-5,7-11H,1H2,(H,12,13);;;;/q;;;+3;;;/p-3/r3C6H12O7.BiH3/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;/h3*2-5,7-11H,1H2,(H,12,13);1H3/q;;;+3/p-3",C6H12O7.1/3Bi,,,,,,UQMQXUCCHWTXDQ-AGRODQNPSA-K,,,,,,,,,,,
100.065.007,271-528-9,68584-22-5,"Benzenesulfonic acid, C10-16-alkyl derivs.",4-dodecylbenzenesulfonic acid,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O,"InChI=1/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10616,https://echa.europa.eu/substance-information/-/substanceinfo/100.065.007,KWXICGTUELOLSQ-UHFFFAOYSA-N,Negative,,,,,,SM876251,[M-H]-,HCD35,325.1842:183.0121:184.0199,CASMI_2016
100.065.884,272-493-2,68855-59-4,"Alkenes, C14-18 a-",hexadec-1-ene,CCCCCCCCCCCCCCC=C,CCCCCCCCCCCCCCC=C,"InChI=1/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3",-,,,,,,GQEZCXVZFLOKMC-UHFFFAOYSA-N,,,,,,,,,,,
100.066.102,272-733-6,68910-31-6,"Benzenesulfonic acid, mono-C10-16-alkyl derivs., ammonium salts",ammonium 4-tridecylbenzenesulfonate,[NH4+].CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],[NH4+].CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C19H32O3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22;/h14-17H,2-13H2,1H3,(H,20,21,22);1H3",-,,,,,,LPFJOPHWCLNOEY-UHFFFAOYSA-N,,,,,,,,,,,
100.065.254,271-801-2,68608-80-0,"Benzene, C6-12-alkyl derivs.",nonylbenzene,CCCCCCCCCc1ccccc1,CCCCCCCCCc1ccccc1,"InChI=1/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3",-,,,,,,LIXVMPBOGDCSRM-UHFFFAOYSA-N,,,,,,,,,,,
100.063.544,269-919-4,68391-01-5,"Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, chlorides","N-benzyl-N,N-dimethyltetradecan-1-aminium chloride",[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,"InChI=1/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1",-,,,,,,OCBHHZMJRVXXQK-UHFFFAOYSA-M,,,,,,,,,,,
100.065.010,271-532-0,68584-25-8,"Benzenesulfonic acid, C10-16-alkyl derivs., compds. with triethanolamine","4-tridecylbenzenesulfonic acid - 2,2',2''-nitrilotriethanol (1:1)",CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O.OCCN(CCO)CCO,CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O.OCCN(CCO)CCO,"InChI=1/C19H32O3S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22;8-4-1-7(2-5-9)3-6-10/h14-17H,2-13H2,1H3,(H,20,21,22);8-10H,1-6H2",-,,,,,,MQQNFMZFQZVCDC-UHFFFAOYSA-N,,,,,,,,,,,
100.032.196,235-428-9,12225-21-7,"Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex","aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)",[Al+3].OC(=O)C1=NN(C(=O)C1N=Nc2ccc(cc2)S(=O)(=O)[O-])c3ccc(cc3)S(=O)(=O)O.OC(=O)C4=NN(C(=O)C4N=Nc5ccc(cc5)S(=O)(=O)[O-])c6ccc(cc6)S(=O)(=O)O.OC(=O)C7=NN(C(=O)C7N=Nc8ccc(cc8)S(=O)(=O)[O-])c9ccc(cc9)S(=O)(=O)O,[Al+3].OC(=O)C1=NN(C(=O)C1N=Nc2ccc(cc2)S(=O)(=O)[O-])c3ccc(cc3)S(=O)(=O)O.OC(=O)C4=NN(C(=O)C4N=Nc5ccc(cc5)S(=O)(=O)[O-])c6ccc(cc6)S(=O)(=O)O.OC(=O)C7=NN(C(=O)C7N=Nc8ccc(cc8)S(=O)(=O)[O-])c9ccc(cc9)S(=O)(=O)O,"InChI=1/3C16H12N4O9S2.Al/c3*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h3*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;;;+3/p-3",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12236,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.196,WNVDZDLVUGYYKK-UHFFFAOYSA-K,,,,,,,,,,,
100.060.825,266-928-5,67701-03-5,"Fatty acids, C16-18",heptadecanoic acid,CCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCC(=O)O,"InChI=1/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",-,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15426,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.825,KEMQGTRYUADPNZ-UHFFFAOYSA-N,,,,,,,,,,,
100.060.898,267-008-6,67762-27-0,"Alcohols, C16-18",heptadecan-1-ol,CCCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCCO,"InChI=1/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3",-,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16007,https://echa.europa.eu/substance-information/-/substanceinfo/100.060.898,GOQYKNQRPGWPLP-UHFFFAOYSA-N,,,,,,,,,,,
100.060.903,267-013-3,67762-36-1,"Fatty acids, C6-12",nonanoic acid,CCCCCCCCC(=O)O,CCCCCCCCC(=O)O,"InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",-,,,,,,FBUKVWPVBMHYJY-UHFFFAOYSA-N,,,,,,,,,,,
100.060.821,266-923-8,67700-99-6,"Amines, di-C14-18-alkylmethyl",N-hexadecyl-N-methylhexadecan-1-amine,CCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCC,"InChI=1/C33H69N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-33H2,1-3H3",-,,,,,,KCMTVIZYKDBFFS-UHFFFAOYSA-N,,,,,,,,,,,
100.029.398,232-340-2,8005-56-9,"Bisbenzimidazobenzo[lmn][3,8]phenanthrolinedione","bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione",O=C1c2ccc3C(=O)n4c(nc5ccccc45)c6ccc(c7nc8ccccc8n17)c2c36,O=C1c2ccc3C(=O)n4c(nc5ccccc45)c6ccc(c7nc8ccccc8n17)c2c36,InChI=1/C26H12N4O2/c31-25-15-11-12-16-22-14(24-28-18-6-2-4-8-20(18)30(24)26(16)32)10-9-13(21(15)22)23-27-17-5-1-3-7-19(17)29(23)25/h1-12H,C26H12N4O2,,,,,,YMEPVPIIHONYLV-UHFFFAOYSA-N,,,,,,,,,,,
100.026.248,228-873-5,6369-65-9,"Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, nitro derivatives","3,12-dinitroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione",O=C1c2cc(ccc2c3ccc4c5ccc6c7ccc(cc7C(=O)c8ccc(c9ccc1c3c49)c5c68)N(=O)=O)N(=O)=O,O=C1c2cc(ccc2c3ccc4c5ccc6c7ccc(cc7C(=O)c8ccc(c9ccc1c3c49)c5c68)N(=O)=O)N(=O)=O,InChI=1/C34H14N2O6/c37-33-25-11-9-23-24-10-12-26-32-20(18-4-2-16(36(41)42)14-28(18)34(26)38)6-8-22(30(24)32)21-7-5-19(31(25)29(21)23)17-3-1-15(35(39)40)13-27(17)33/h1-14H,-,,,,,,KDVDMQVITMTCAH-UHFFFAOYSA-N,,,,,,,,,,,
100.024.573,227-029-3,5610-64-0,"Chromium, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonic acid complex",3-hydroxy-4-[(2-hydroxy-1-naphthyl)diazenyl]-7-nitronaphthalene-1-sulfonic acid,Oc1ccc2ccccc2c1N=Nc3c(O)cc(c4cc(ccc34)N(=O)=O)S(=O)(=O)O,Oc1ccc2ccccc2c1N=Nc3c(O)cc(c4cc(ccc34)N(=O)=O)S(=O)(=O)O,"InChI=1/C20H13N3O7S/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30/h1-10,24-25H,(H,28,29,30)",-,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/9976,https://echa.europa.eu/substance-information/-/substanceinfo/100.024.573,SXYCCJAPZKHOLS-UHFFFAOYSA-N,,,,,,,,,,,
100.013.735,215-108-5,1302-78-9,Bentonite,"nitrilotriethane-2,1-diyl trinitrate",O=N(=O)OCCN(CCON(=O)=O)CCON(=O)=O,O=N(=O)OCCN(CCON(=O)=O)CCON(=O)=O,InChI=1/C6H12N4O9/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16/h1-6H2,-,,,,,,HWKQNAWCHQMZHK-UHFFFAOYSA-N,,,,,,,,,,,
100.029.468,232-419-1,8021-39-4,"Creosote, wood",2-methoxyphenol,COc1ccccc1O,COc1ccccc1O,"InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",-,,,,,,LHGVFZTZFXWLCP-UHFFFAOYSA-N,,,,,,,,,,,
100.066.557,273-234-6,68953-96-8,"Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., calcium salts",calcium bis[4-(7-ethylnonyl)benzenesulfonate],[Ca+2].CCC(CC)CCCCCCc1ccc(cc1)S(=O)(=O)[O-].CCC(CC)CCCCCCc2ccc(cc2)S(=O)(=O)[O-],[Ca+2].CCC(CC)CCCCCCc1ccc(cc1)S(=O)(=O)[O-].CCC(CC)CCCCCCc2ccc(cc2)S(=O)(=O)[O-],"InChI=1/2C17H28O3S.Ca/c2*1-3-15(4-2)9-7-5-6-8-10-16-11-13-17(14-12-16)21(18,19)20;/h2*11-15H,3-10H2,1-2H3,(H,18,19,20);/q;;+2/p-2",-,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14538,https://echa.europa.eu/substance-information/-/substanceinfo/100.066.557,AHXAFRYDOIIROB-UHFFFAOYSA-L,,,,,,,,,,,
100.090.010,299-059-5,93842-79-6,"Hexadecaammonium [[3,6,9,12-tetrakis(phosphonatomethyl)-3,6,9,12-tetraazatetradecane-1,14-diyl]bis[nitrilobis(methylene)]]tetrakisphosphonate","hexadecaammonium [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.16H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);16*1H3",C18H52N6O24P8.16H3N,,,,,,JLVYNZFXTOYJSQ-UHFFFAOYSA-N,,,,,,,,,,,
100.067.600,274-384-5,70209-81-3,"Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-","20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside",CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\\C=C\\C=C\\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\\C=C\\3/C)O[C@@]7(CC[C@H](C)[C@H](O7)C(C)C)C6)[C@]45O)C)O[C@@H](C)[C@@H]1O,CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(CC[C@H](C)[C@H](O7)C(C)C)C6)[C@]45O)C)O[C@@H](C)[C@@H]1O,"InChI=1/C47H72O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3",C47H72O14,,,,,,VARHUCVRRNANBD-PVVXTEPVSA-N,,,,,,,,,,,
100.059.628,265-610-3,65195-55-3,Abamectin,"20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside - 6'-sec-butyl-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside (1:1)",CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\\C=C(/C)\\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\\C=C\\C=C\\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.CO[C@H]8C[C@H](O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\\C=C\\C=C\\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\\C=C\\%10/C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@]%11%12O)C)O[C@@H](C)[C@@H]8O,CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.CO[C@H]8C[C@H](O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@]%11%12O)C)O[C@@H](C)[C@@H]8O,"InChI=1/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3",C48H72O14,,,,,,IBSREHMXUMOFBB-JFUDTMANSA-N,,,,,,,,,,,
100.041.264,245-407-6,23067-13-2,Erythromycin glucoheptonate,"2,3,4,5,6,7-hexahydroxyheptanoic acid - 6-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (1:1) (non-preferred name)",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O,"InChI=1/C37H67NO13.C7H14O8/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-6,8-13H,1H2,(H,14,15)",C37H67NO13.C7H14O8,,,,,,ZXBDZLHAHGPXIG-VTXLJDRKSA-N,,,,,,,,,,,
100.078.335,286-199-7,85188-08-5,"7-Benzothiazolesulfonic acid, 2,2'-[(2-sulfo-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo-4,1-phenylene]]bis[6-methyl-, sodium salt, compd. with 2,2',2''-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]","sodium 6-methyl-2-(4-{[1-({4-[(2-{[4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)phenyl]diazenyl}-3-oxobutanoyl)amino]-2-sulfophenyl}carbamoyl)-2-oxopropyl]diazenyl}phenyl)-1,3-benzothiazole-7-sulfonate 2,2',2''-[nitrilotris(ethane-2,1-diyloxy)]triethanol (1:1)",[Na+].OCCOCCN(CCOCCO)CCOCCO.OS(=O)(=O)c2c(C)ccc1nc(sc12)c3ccc(cc3)N=NC(C(C)=O)C(=O)Nc7ccc(NC(=O)C(N=Nc4ccc(cc4)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)C(C)=O)c(c7)S(O)(=O)=O,[Na+].OCCOCCN(CCOCCO)CCOCCO.OS(=O)(=O)c2c(C)ccc1nc(sc12)c3ccc(cc3)N=NC(C(C)=O)C(=O)Nc7ccc(NC(=O)C(N=Nc4ccc(cc4)c5nc6ccc(C)c(c6s5)S([O-])(=O)=O)C(C)=O)c(c7)S(O)(=O)=O,"InChI=1/C42H34N8O13S5.C12H27NO6.Na/c1-20-5-16-30-35(37(20)67(58,59)60)64-41(45-30)24-7-11-26(12-8-24)47-49-33(22(3)51)39(53)43-28-15-18-29(32(19-28)66(55,56)57)44-40(54)34(23(4)52)50-48-27-13-9-25(10-14-27)42-46-31-17-6-21(2)38(36(31)65-42)68(61,62)63;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h5-19,33-34H,1-4H3,(H,43,53)(H,44,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);14-16H,1-12H2;/q;;+1/p-1",C42H34N8O13S5.xC12H27NO6.xNa,,,,,,JMHKEXZJGJFDNN-UHFFFAOYSA-M,,,,,,,,,,,
100.047.462,252-225-0,34816-22-3,"1,3,4,6-tetrakis-O-(1-oxooctadecyl)-ß-D-fructofuranosyl-a-D-glucopyranoside tetrastearate","1,3,4,6-tetrakis-O-(1-oxooctadecyl)-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetrastearate",CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCCCC)(O[C@H]2[C@@H]([O-])O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCCCC)(O[C@H]2[C@@H]([O-])O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1/C84H157O15.4C18H36O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-74(86)93-70-73-80(96-76(88)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)82(97-77(89)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)84(98-73,99-81-79(91)78(90)72(69-85)95-83(81)92)71-94-75(87)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h72-73,78-83,85,90-91H,5-71H2,1-4H3;4*2-17H2,1H3,(H,19,20)/q-1;;;;/p-4",C156H294O19,,,,,,MBZLXJUNVZMTEO-DZMASWEVSA-J,,,,,,,,,,,
100.037.696,241-482-4,17465-86-0,Cyclooctapentylose,"5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol (non-preferred name)",OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]9CO)O[C@H]1[C@H](O)[C@H]2O,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]9CO)O[C@H]1[C@H](O)[C@H]2O,"InChI=1/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2",C48H80O40,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10815,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.696,GDSRMADSINPKSL-HSEONFRVSA-N,,,,,,,,,,,
100.014.304,215-734-9,1393-48-2,Thiostrepton,"2-[37-sec-butyl-18-(1,2-dihydroxy-1-methylpropyl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecaazanonacyclo[23.23.9.3~29,35~.1~2,5~.1~12,15~.1~19,22~.1~54,57~.0~1,53~.0~32,60~]tetrahexaconta-2(64),4,12(63),19(62),21,29,31,33,51,54,57,60-dodecaen-51-yl]-N-{1-[(1-carbamoylvinyl)carbamoyl]vinyl}-1,3-thiazole-4-carboxamide (non-preferred name)",CC(CC)C%10NC2\\C=C/c1c(cc(nc1C2O)C(=O)OC(C)C7NC(=O)c3nc(sc3)C(NC(=O)C4/N=C(\\SC4)C(NC(=O)C(NC(=O)c5csc(n5)C8(CC/C(=N\\C8c6csc7n6)c9nc(cs9)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC%10=O)C(C)O)=CC)C(C)(O)C(O)C)C(O)C,CC(CC)C%10NC2\C=C/c1c(cc(nc1C2O)C(=O)OC(C)C7NC(=O)c3nc(sc3)C(NC(=O)C4/N=C(\SC4)C(NC(=O)C(NC(=O)c5csc(n5)C8(CC/C(=N\C8c6csc7n6)c9nc(cs9)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC%10=O)C(C)O)=CC)C(C)(O)C(O)C)C(O)C,"InChI=1/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)",C72H85N19O18S5,,,,,,NSFFHOGKXHRQEW-UHFFFAOYSA-N,,,,,,,,,,,
100.092.488,301-782-9,94061-68-4,"Octasodium 6,13-dichloro-3,10-bis[[4-[[4-chloro-6-[(3-phosphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]disulphonatophenyl]amino]triphenodioxazine-4,11-disulphonate",-,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])c1cccc(Nc2nc(Cl)nc(Nc3ccc(Nc4ccc5N=C6C(=C7Oc8c(ccc(Nc9ccc(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)([O-])[O-])n%10)c(c9S(=O)(=O)[O-])S(=O)(=O)[O-])c8S(=O)(=O)[O-])N=C7C(=C6Oc5c4S(=O)(=O)[O-])Cl)Cl)c(c3S(=O)(=O)[O-])S(=O)(=O)[O-])n2)c1,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])c1cccc(Nc2nc(Cl)nc(Nc3ccc(Nc4ccc5N=C6C(=C7Oc8c(ccc(Nc9ccc(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)([O-])[O-])n%10)c(c9S(=O)(=O)[O-])S(=O)(=O)[O-])c8S(=O)(=O)[O-])N=C7C(=C6Oc5c4S(=O)(=O)[O-])Cl)Cl)c(c3S(=O)(=O)[O-])S(=O)(=O)[O-])n2)c1,"InChI=1/C48H32Cl4N14O26P2S6.8Na/c49-29-32-36(92-34-22(58-32)8-10-24(38(34)96(76,77)78)56-26-12-14-28(42(100(88,89)90)40(26)98(82,83)84)60-48-64-44(52)62-46(66-48)54-18-4-2-6-20(16-18)94(70,71)72)30(50)31-35(29)91-33-21(57-31)7-9-23(37(33)95(73,74)75)55-25-11-13-27(41(99(85,86)87)39(25)97(79,80)81)59-47-63-43(51)61-45(65-47)53-17-3-1-5-19(15-17)93(67,68)69;;;;;;;;/h1-16,55-56H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,59,61,63,65)(H2,54,60,62,64,66);;;;;;;;/q;8*+1/p-10",C48H32Cl4N14O26P2S6.8Na,,,,,,KBTNGNZPSMWUQA-UHFFFAOYSA-D,,,,,,,,,,,
100.032.192,235-424-7,12224-98-5,"Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate",-,[O-][Mo](=O)=O.O[W](=O)(=O)OOP([O-])([O-])=O.CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C.CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C.CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C.CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C ,[O-][Mo](=O)=O.O[W](=O)(=O)OOP([O-])([O-])=O.CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C.CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C.CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C.CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C ,"InChI=1/4C28H31N2O3.Mo.H3O5P.H2O.5O.W.H/c4*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;;1-5-6(2,3)4;;;;;;;;/h4*9-16,29-30H,6-8H2,1-5H3;;1H,(H2,2,3,4);1H2;;;;;;;/q4*+1;;;;;;;;-1;+2;/p-4/r4C28H31N2O3.HMoO3.H3O8PW/c4*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3)4;1-9(2,3)7-8-10(4,5)6/h4*9-16,29-30H,6-8H2,1-5H3;1H;4H,(H2,1,2,3)/q4*+1;-1;/p-2",-,,,,,,QAZPNBYGBJSNPD-UHFFFAOYSA-J,,,,,,,,,,,
100.047.784,252-578-0,35457-80-8,Midecamycin,"6-{[4-(dimethylamino)-3-hydroxy-5-{[4-hydroxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl propionate (non-preferred name)",CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C\\C=C\\C=C\\[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@H]1OC,CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@H]1OC,"InChI=1/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3",C41H67NO15,,,,,,DMUAPQTXSSNEDD-QALJCMCCSA-N,,,,,,,,,,,
100.037.697,241-484-5,17466-45-4,Phalloidin,"29-(2,3-dihydroxy-2-methylpropyl)-2-hydroxy-23-(1-hydroxyethyl)-6,26-dimethyl-1,2,3,3a,5,6,8,9,10,15-decahydro-17H-18,9-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indole-4,7,19,22,25,28,31(18H)-heptone",CC(O)C1NC(=O)C(C)NC(=O)C(CC(C)(O)CO)NC(=O)C2Cc3c(SCC(NC1=O)C(=O)N4CC(O)CC4C(=O)NC(C)C(=O)N2)[nH]c5ccccc35,CC(O)C1NC(=O)C(C)NC(=O)C(CC(C)(O)CO)NC(=O)C2Cc3c(SCC(NC1=O)C(=O)N4CC(O)CC4C(=O)NC(C)C(=O)N2)[nH]c5ccccc35,"InChI=1/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)",C35H48N8O11S,,,,,,KPKZJLCSROULON-UHFFFAOYSA-N,,,,,,,,,,,
100.080.881,289-001-7,85959-11-1,"Hexasodium 4,4'-bis[[4-chloro-6-[[3-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","hexasodium 4,4'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis(2-{[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])c1cc(c(Cl)cc1)N%10/N=C(/C)C(N=Nc2cc(ccc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7C(\\C)=N/N(c6cc(ccc6Cl)S([O-])(=O)=O)C7=O)c(cc8)S([O-])(=O)=O)c(c9)S([O-])(=O)=O)C%10=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])c1cc(c(Cl)cc1)N%10/N=C(/C)C(N=Nc2cc(ccc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7C(\C)=N/N(c6cc(ccc6Cl)S([O-])(=O)=O)C7=O)c(cc8)S([O-])(=O)=O)c(c9)S([O-])(=O)=O)C%10=O,"InChI=1/C52H38Cl4N18O20S6.6Na/c1-23-43(45(75)73(71-23)37-21-31(95(77,78)79)11-13-33(37)53)69-67-35-17-27(9-15-39(35)97(83,84)85)57-49-61-47(55)63-51(65-49)59-29-7-5-25(41(19-29)99(89,90)91)3-4-26-6-8-30(20-42(26)100(92,93)94)60-52-64-48(56)62-50(66-52)58-28-10-16-40(98(86,87)88)36(18-28)68-70-44-24(2)72-74(46(44)76)38-22-32(96(80,81)82)12-14-34(38)54;;;;;;/h3-22,43-44H,1-2H3,(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,57,59,61,63,65)(H2,58,60,62,64,66);;;;;;/q;6*+1/p-6",C52H38Cl4N18O20S6.6Na,,,,,,MVDCSFJJBUORPI-IPZNYOEBSA-H,,,,,,,,,,,
100.089.012,297-959-2,93776-31-9,"Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)","bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] hydrogen phosphate - 2,2'-iminodiethanol (1:1)",OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C38H9F70O4P.C4H11NO2/c39-5(40,9(45,46)13(53,54)17(61,62)21(69,70)25(77,78)29(85,86)33(93,94)31(89,90)27(81,82)23(73,74)19(65,66)15(57,58)11(49,50)7(43,35(97,98)99)36(100,101)102)1-3-111-113(109,110)112-4-2-6(41,42)10(47,48)14(55,56)18(63,64)22(71,72)26(79,80)30(87,88)34(95,96)32(91,92)28(83,84)24(75,76)20(67,68)16(59,60)12(51,52)8(44,37(103,104)105)38(106,107)108;6-3-1-5-2-4-7/h1-4H2,(H,109,110);5-7H,1-4H2",C38H9F70O4P.C4H11NO2,,,,,,USUQVGQWXMPNTE-UHFFFAOYSA-N,,,,,,,,,,,
100.068.170,275-010-3,70900-42-4,"1H-Pyrazole-3-carboxylic acid, 4,4'-[carbonylbis[imino(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, hexasodium salt","hexasodium 4-({5-[(4-{[4-({[4-({4-[(3-{[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]carbamoyl}amino)-3-sulfonatophenyl]amino}-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OS(=O)(=O)c3ccc(cc3N=NC2C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)\\C(=O)[O-])Nc4nc(nc(Cl)n4)Nc%10ccc(NC(=O)Nc5ccc(cc5S([O-])(=O)=O)Nc6nc(nc(Cl)n6)Nc9cc(N=NC8\\C(=N/N(c7ccc(cc7)S([O-])(=O)=O)C8=O)C([O-])=O)c(cc9)S(O)(=O)=O)c(c%10)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OS(=O)(=O)c3ccc(cc3N=NC2C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)\C(=O)[O-])Nc4nc(nc(Cl)n4)Nc%10ccc(NC(=O)Nc5ccc(cc5S([O-])(=O)=O)Nc6nc(nc(Cl)n6)Nc9cc(N=NC8\C(=N/N(c7ccc(cc7)S([O-])(=O)=O)C8=O)C([O-])=O)c(cc9)S(O)(=O)=O)c(c%10)S([O-])(=O)=O,"InChI=1/C51H36Cl2N20O25S6.6Na/c52-45-60-47(54-21-3-15-33(101(87,88)89)31(17-21)66-68-37-39(43(76)77)70-72(41(37)74)25-5-9-27(10-6-25)99(81,82)83)64-49(62-45)56-23-1-13-29(35(19-23)103(93,94)95)58-51(80)59-30-14-2-24(20-36(30)104(96,97)98)57-50-63-46(53)61-48(65-50)55-22-4-16-34(102(90,91)92)32(18-22)67-69-38-40(44(78)79)71-73(42(38)75)26-7-11-28(12-8-26)100(84,85)86;;;;;;/h1-20,37-38H,(H,76,77)(H,78,79)(H2,58,59,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,54,56,60,62,64)(H2,55,57,61,63,65);;;;;;/q;6*+1/p-6",C51H36Cl2N20O25S6.6Na,,,,,,AAEHZZCRKUWBEY-UHFFFAOYSA-H,,,,,,,,,,,
100.022.727,224-998-4,4598-66-7,Aluminium tris[(20ß)-3ß-hydroxy-11-oxoolean-12-en-29-oate],aluminum tris(3-hydroxy-11-oxoolean-12-en-29-oate),[Al+3].CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)[O-].CC6(C)[C@@H](O)CC[C@@]7(C)[C@H]6CC[C@]8(C)[C@@H]7C(=O)C=C9[C@@H]%10C[C@@](C)(CC[C@]%10(C)CC[C@@]89C)C(=O)[O-].CC%11(C)[C@@H](O)CC[C@@]%12(C)[C@H]%11CC[C@]%13(C)[C@@H]%12C(=O)C=C%14[C@@H]%15C[C@@](C)(CC[C@]%15(C)CC[C@@]%13%14C)C(=O)[O-],[Al+3].CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)[O-].CC6(C)[C@@H](O)CC[C@@]7(C)[C@H]6CC[C@]8(C)[C@@H]7C(=O)C=C9[C@@H]%10C[C@@](C)(CC[C@]%10(C)CC[C@@]89C)C(=O)[O-].CC%11(C)[C@@H](O)CC[C@@]%12(C)[C@H]%11CC[C@]%13(C)[C@@H]%12C(=O)C=C%14[C@@H]%15C[C@@](C)(CC[C@]%15(C)CC[C@@]%13%14C)C(=O)[O-],"InChI=1/3C30H46O4.Al/c3*1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h3*16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/q;;;+3/p-3",C30H46O4.1/3Al,,,,,,JIQUHOXNCWKESF-ZBYDFYSSSA-K,,,,,,,,,,,
100.080.880,289-000-1,85959-10-0,"1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt","sodium 4-{[5-({4-[(4-{2-[4-({4-[(3-{[3-carboxy-1-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}-3-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-1-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[O-]C(=O)/C%10=N/N(c1ccccc1Cl)C(=O)C%10N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(C=Cc4ccc(cc4S(O)(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\\C(=N/N(c6ccccc6Cl)C7=O)C(O)=O)c(cc8)S(O)(=O)=O)c(c9)S(O)(=O)=O,[Na+].[O-]C(=O)/C%10=N/N(c1ccccc1Cl)C(=O)C%10N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(C=Cc4ccc(cc4S(O)(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\C(=N/N(c6ccccc6Cl)C7=O)C(O)=O)c(cc8)S(O)(=O)=O)c(c9)S(O)(=O)=O,"InChI=1/C52H34Cl4N18O18S4.Na/c53-29-5-1-3-7-33(29)73-43(75)39(41(71-73)45(77)78)69-67-31-19-25(15-17-35(31)93(81,82)83)57-49-61-47(55)63-51(65-49)59-27-13-11-23(37(21-27)95(87,88)89)9-10-24-12-14-28(22-38(24)96(90,91)92)60-52-64-48(56)62-50(66-52)58-26-16-18-36(94(84,85)86)32(20-26)68-70-40-42(46(79)80)72-74(44(40)76)34-8-4-2-6-30(34)54;/h1-22,39-40H,(H,77,78)(H,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H2,57,59,61,63,65)(H2,58,60,62,64,66);/q;+1/p-1",C52H34Cl4N18O18S4.xNa,,,,,,WZAHYGPXOHTZIR-UHFFFAOYSA-M,,,,,,,,,,,
100.047.463,252-226-6,34816-23-4,"1,3,4,6-tetrakis-O-(1-oxo-9-octadecenyl)-ß-D-fructofuranosyl-a-D-glucopyranoside tetraoleate","1,3,4,6-tetrakis-O-(1-oxo-9-octadecenyl)-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraoleate",CCCCCCCCC=CCCCCCCCC(=O)OC[C@H]2O[C@](O[C@H]1[C@@H]([O-])O[C@H](CO)[C@@H](O)[C@@H]1O)(COC(=O)CCCCCCCC=CCCCCCCCC)[C@@H](OC(=O)CCCCCCCC=CCCCCCCCC)[C@@H]2OC(=O)CCCCCCCC=CCCCCCCCC.[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\\CCCCCCCC,CCCCCCCCC=CCCCCCCCC(=O)OC[C@H]2O[C@](O[C@H]1[C@@H]([O-])O[C@H](CO)[C@@H](O)[C@@H]1O)(COC(=O)CCCCCCCC=CCCCCCCCC)[C@@H](OC(=O)CCCCCCCC=CCCCCCCCC)[C@@H]2OC(=O)CCCCCCCC=CCCCCCCCC.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC.[O-]C(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1/C84H149O15.4C18H34O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-74(86)93-70-73-80(96-76(88)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)82(97-77(89)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)84(98-73,99-81-79(91)78(90)72(69-85)95-83(81)92)71-94-75(87)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h33-40,72-73,78-83,85,90-91H,5-32,41-71H2,1-4H3;4*9-10H,2-8,11-17H2,1H3,(H,19,20)/q-1;;;;/p-4",C156H278O19,,,,,,NXEFIGPTDAELMY-BJOILWEOSA-J,,,,,,,,,,,
100.034.192,237-627-6,13870-90-1,Cobamamide,cobamamide,CC(CNC(=O)CCC1(C)C(CC(=O)N)C2N([Co+]C[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)/C/1=C(/C)\\C6=N\\C(=C/C7=N\\C(=C(\\C)/C8=NC2(C)C(C)(CC(=O)N)C8CCC(=O)N)\\C(C)(CC(=O)N)C7CCC(=O)N)\\C(C)(C)C6CCC(=O)N)OP(=O)([O-])O[C@@H]9[C@@H](CO)O[C@@H]([C@@H]9O)n%10cnc%11cc(C)c(C)cc%10%11,CC(CNC(=O)CCC1(C)C(CC(=O)N)C2N([Co+]C[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)/C/1=C(/C)\C6=N\C(=C/C7=N\C(=C(\C)/C8=NC2(C)C(C)(CC(=O)N)C8CCC(=O)N)\C(C)(CC(=O)N)C7CCC(=O)N)\C(C)(C)C6CCC(=O)N)OP(=O)([O-])O[C@@H]9[C@@H](CO)O[C@@H]([C@@H]9O)n%10cnc%11cc(C)c(C)cc%10%11,"InChI=1/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/rC72H101CoN18O17P/c1-32-20-42-43(21-33(32)2)89(30-84-42)67-59(102)60(45(28-92)106-67)108-109(103,104)107-34(3)27-81-53(99)18-19-69(8)40(22-50(77)96)63-72(11)71(10,25-52(79)98)39(14-17-49(76)95)55(88-72)35(4)61-70(9,24-51(78)97)37(12-15-47(74)93)41(86-61)23-46-68(6,7)38(13-16-48(75)94)54(87-46)36(5)62(69)91(63)73-26-44-57(100)58(101)66(105-44)90-31-85-56-64(80)82-29-83-65(56)90/h20-21,23,29-31,34,37-40,44-45,57-60,63,66-67,92,100-102H,12-19,22,24-28H2,1-11H3,(H2,74,93)(H2,75,94)(H2,76,95)(H2,77,96)(H2,78,97)(H2,79,98)(H,81,99)(H,103,104)(H2,80,82,83)/q+1/p-1",C72H100CoN18O17P,,,,,,ZIHHMGTYZOSFRC-CXGXMSGESA-L,,,,,,,,,,,
100.024.148,226-562-9,5424-20-4,"ß-D-glucose pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]","1,2,3,4,6-pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-beta-D-glucopyranose",Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10,Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10,"InChI=1/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2",C76H52O46,,,,,,LRBQNJMCXXYXIU-PPKXGCFTSA-N,,,,,,,,,,,
100.021.227,223-348-7,3847-29-8,Erythromycin lactobionate,"2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexanoic acid - 6-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (1:1) (non-preferred name)",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.OC[C@@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)C(=O)O,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.OC[C@@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1/C37H67NO13.C12H22O12/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3-10,12-20H,1-2H2,(H,21,22)",C37H67NO13.C12H22O12,,,,,,NNRXCKZMQLFUPL-WBMZRJHASA-N,,,,,,,,,,,
100.022.558,224-812-1,4501-00-2,Erythromycin phosphate,"6-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione phosphate (salt) (non-preferred name)",OP(O)(=O)O.CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O,OP(O)(=O)O.CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O,"InChI=1/C37H67NO13.H3O4P/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-5(2,3)4/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;(H3,1,2,3,4)",C37H67NO13.xH3O4P,,,,,,VUEMAFLGEMYXIH-YZPBMOCRSA-N,,,,,,,,,,,
100.022.729,225-002-0,4599-60-4,Penimepicycline,"3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - 4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide (1:1)",CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CCO)CC4)C(=O)c5c(O)cccc5[C@@]3(C)O.CC6(C)S[C@@H]7[C@H](NC(=O)COc8ccccc8)C(=O)N7[C@H]6C(=O)O,CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CCO)CC4)C(=O)c5c(O)cccc5[C@@]3(C)O.CC6(C)S[C@@H]7[C@H](NC(=O)COc8ccccc8)C(=O)N7[C@H]6C(=O)O,"InChI=1/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)",C29H38N4O9.C16H18N2O5S,,,,,,MEGKRPMNPGTIIG-FPAXJKHWSA-N,,,,,,,,,,,
100.048.150,252-981-1,36338-96-2,"4-Cyclohexene-1,3-dione, 6-ß-d-glucopyranosyl-2-[[3-ß-d-glucopyranosyl-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]methylene]-5,6-dihydroxy-4-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-","5,6-dihydroxy-4-[3-(4-hydroxyphenyl)acryloyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-2-({2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)acryloyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]cyclohexa-1,4-dien-1-yl}methylene)cyclohex-4-ene-1,3-dione (non-preferred name)",Oc1ccc(cc1)C=CC(=O)C=6C(=O)C(=C\\C4=C(/O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(/O)=C(/C(=O)C=Cc3ccc(O)cc3)C4=O)C(=O)C(O)([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=6O,Oc1ccc(cc1)C=CC(=O)C=6C(=O)C(=C\C4=C(/O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(/O)=C(/C(=O)C=Cc3ccc(O)cc3)C4=O)C(=O)C(O)([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=6O,"InChI=1/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2",C43H42O22,,,,,,WLYGSPLCNKYESI-AEWOKOSBSA-N,,,,,,,,,,,
100.073.048,280-376-2,83317-65-1,"(1,10-dioxodecane-1,10-diyl)dibenzene-1,3,4-triyl hexakis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","(1,10-dioxodecane-1,10-diyl)dibenzene-3,1,2,4-tetrayl hexakis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccc(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c(C(=O)CCCCCCCCC(=O)c6c(OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)ccc(OS(=O)(=O)c9cccc%10C(=O)C(=[N+]=[N-])C=Cc9%10)c6OS(=O)(=O)c%11cccc%12C(=O)C(=[N+]=[N-])C=Cc%11%12)c3OS(=O)(=O)c%13cccc%14C(=O)C(=[N+]=[N-])C=Cc%13%14)C1=O,[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3ccc(OS(=O)(=O)c4cccc5C(=O)C(=[N+]=[N-])C=Cc45)c(C(=O)CCCCCCCCC(=O)c6c(OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)ccc(OS(=O)(=O)c9cccc%10C(=O)C(=[N+]=[N-])C=Cc9%10)c6OS(=O)(=O)c%11cccc%12C(=O)C(=[N+]=[N-])C=Cc%11%12)c3OS(=O)(=O)c%13cccc%14C(=O)C(=[N+]=[N-])C=Cc%13%14)C1=O,"InChI=1/C82H50N12O26S6/c83-89-55-33-27-43-49(75(55)97)13-7-21-67(43)121(103,104)115-63-39-41-65(117-123(107,108)69-23-9-15-51-45(69)29-35-57(91-85)77(51)99)81(119-125(111,112)71-25-11-17-53-47(71)31-37-59(93-87)79(53)101)73(63)61(95)19-5-3-1-2-4-6-20-62(96)74-64(116-122(105,106)68-22-8-14-50-44(68)28-34-56(90-84)76(50)98)40-42-66(118-124(109,110)70-24-10-16-52-46(70)30-36-58(92-86)78(52)100)82(74)120-126(113,114)72-26-12-18-54-48(72)32-38-60(94-88)80(54)102/h7-18,21-42H,1-6,19-20H2",C62H42N8O18S4,,,,,,UBEDNPVQSXDMGK-UHFFFAOYSA-N,,,,,,,,,,,
100.090.009,299-057-4,93842-78-5,"Pentadecaammonium hydrogen [[3,6,9,12-tetrakis(phosphonatomethyl)-3,6,9,12-tetraazatetradecane-1,14-diyl]bis[nitrilobis(methylene)]]tetrakisphosphonate","pentadecaammonium hydrogen [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13-phosphatridec-1-yl]phosphonate (non-preferred name)",[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-],"InChI=1/C18H52N6O24P8.15H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);15*1H3/p-1",C18H52N6O24P8.15H3N,,,,,,FKNKHKZFUGTZKR-UHFFFAOYSA-M,,,,,,,,,,,
100.031.127,234-253-5,11021-14-0,20-[(6-O-a-L-arabinofuranosyl-ß-D-glucopyranosyl)oxy]-12ß-hydroxydammar-24-en-3ß-yl 2-O-ß-D-glucopyranosyl-ß-D-glucopyranoside,20-[(6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside,CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)[C@@H]3[C@H](O)C[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]6CC[C@@]45C)C,CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)[C@@H]3[C@H](O)C[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]6CC[C@@]45C)C,"InChI=1/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3",C53H90O22,,,,,,JDCPEKQWFDWQLI-LUQKBWBOSA-N,,,,,,,,,,,
100.070.571,277-650-9,73957-86-5,Avoparcin a,"4-[(4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-48-({3-[(4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl}oxy)-49-chloro-32,35,37-trihydroxy-22-(4-hydroxyphenyl)-19-{[(methylamino){4-[(3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]phenyl}acetyl]amino}-20,23,26,42,44-pentaoxo-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (non-preferred name)",CN[C@H](C(=O)N[C@@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c3ccc(Oc4cc5cc(Oc6cc(O[C@H]7C[C@@H](N)[C@@H](O)[C@H](C)O7)c(C[C@@H]8NC(=O)[C@H](NC(=O)[C@@H]5NC(=O)[C@@H](NC1=O)c9ccc(O)cc9)c%10ccc(O)c(c%10)c%11c(O)cc(O)cc%11[C@@H](NC8=O)C(=O)O)cc6Cl)c4O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O[C@H]%13C[C@@H](N)[C@@H](O)[C@H](C)O%13)cc3)c%14ccc(O[C@@H]%15O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%15O)cc%14,CN[C@H](C(=O)N[C@@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c3ccc(Oc4cc5cc(Oc6cc(O[C@H]7C[C@@H](N)[C@@H](O)[C@H](C)O7)c(C[C@@H]8NC(=O)[C@H](NC(=O)[C@@H]5NC(=O)[C@@H](NC1=O)c9ccc(O)cc9)c%10ccc(O)c(c%10)c%11c(O)cc(O)cc%11[C@@H](NC8=O)C(=O)O)cc6Cl)c4O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O[C@H]%13C[C@@H](N)[C@@H](O)[C@H](C)O%13)cc3)c%14ccc(O[C@@H]%15O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%15O)cc%14,"InChI=1/C89H102ClN9O36/c1-31-67(106)47(91)26-58(124-31)130-52-28-53-46(90)20-38(52)21-49-80(116)98-65(86(122)123)45-24-41(103)25-51(105)60(45)44-19-37(11-18-50(44)104)63(82(118)94-49)96-84(120)64-39-22-54(78(55(23-39)129-53)135-89-79(74(113)71(110)57(30-101)132-89)133-59-27-48(92)68(107)32(2)125-59)127-42-16-9-36(10-17-42)77(134-88-76(115)73(112)70(109)56(29-100)131-88)66(85(121)95-62(83(119)97-64)35-5-12-40(102)13-6-35)99-81(117)61(93-4)34-7-14-43(15-8-34)128-87-75(114)72(111)69(108)33(3)126-87/h5-20,22-25,28,31-33,47-49,56-59,61-77,79,87-89,93,100-115H,21,26-27,29-30,91-92H2,1-4H3,(H,94,118)(H,95,121)(H,96,120)(H,97,119)(H,98,116)(H,99,117)(H,122,123)",C89H102ClN9O36,,,,,,JWFVWARSGMYXRN-HTQQBIQNSA-N,,,,,,,,,,,
100.097.334,307-117-9,97552-64-2,"1,1',1'',1'''-[methylenebis(p-phenylenenitrilo)]tetrakis[3-[4-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]phenoxy]propan-2-ol]",1-{[4-(4-{bis[2-hydroxy-3-(4-{1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl}phenoxy)propyl]amino}benzyl)phenyl][2-hydroxy-3-(4-{1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl}phenoxy)propyl]amino}-3-(4-{1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl}phenoxy)propan-2-ol (non-preferred name),CC(C)(c1ccc(OCC(O)CN(CC(O)COc2ccc(cc2)C(C)(C)c3ccc(OCC4CO4)cc3)c5ccc(Cc6ccc(cc6)N(CC(O)COc7ccc(cc7)C(C)(C)c8ccc(OCC9CO9)cc8)CC(O)COc%10ccc(cc%10)C(C)(C)c%11ccc(OCC%12CO%12)cc%11)cc5)cc1)c%13ccc(OCC%14CO%14)cc%13,CC(C)(c1ccc(OCC(O)CN(CC(O)COc2ccc(cc2)C(C)(C)c3ccc(OCC4CO4)cc3)c5ccc(Cc6ccc(cc6)N(CC(O)COc7ccc(cc7)C(C)(C)c8ccc(OCC9CO9)cc8)CC(O)COc%10ccc(cc%10)C(C)(C)c%11ccc(OCC%12CO%12)cc%11)cc5)cc1)c%13ccc(OCC%14CO%14)cc%13,"InChI=1/C97H110N2O16/c1-94(2,72-21-41-86(42-22-72)108-58-90-62-112-90)68-13-33-82(34-14-68)104-54-78(100)50-98(51-79(101)55-105-83-35-15-69(16-36-83)95(3,4)73-23-43-87(44-24-73)109-59-91-63-113-91)76-29-9-66(10-30-76)49-67-11-31-77(32-12-67)99(52-80(102)56-106-84-37-17-70(18-38-84)96(5,6)74-25-45-88(46-26-74)110-60-92-64-114-92)53-81(103)57-107-85-39-19-71(20-40-85)97(7,8)75-27-47-89(48-28-75)111-61-93-65-115-93/h9-48,78-81,90-93,100-103H,49-65H2,1-8H3",C97H110N2O16,,,,,,WIMBSVAMVGTRRO-UHFFFAOYSA-N,,,,,,,,,,,
100.034.530,237-998-4,14154-42-8,"Chloro[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]aluminium","[22-buta-1,3-dien-1-yl-2,11,20,25,33,34,35,36-octaazaoctacyclo[24.6.1.1~3,10~.1~12,19~.1~21,24~.0~4,9~.0~13,18~.0~27,32~]hexatriaconta-1(33),2,4,6,8,10,12(35),13,15,17,19,21,23,25,27,29,31-heptadecaenato(2-)-kappa~2~N~34~,N~36~](chloro)aluminum (non-preferred name)",Cl[Al]1N2C3=NC4=NC(=Nc5cc(C=CC=C)c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)n15)c9ccccc49,Cl[Al]1N2C3=NC4=NC(=Nc5cc(C=CC=C)c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)n15)c9ccccc49,"InChI=1/C32H18N8.Al.ClH/c1-2-3-10-18-17-25-33-26(18)35-28-21-13-6-7-14-22(21)30(37-28)39-32-24-16-9-8-15-23(24)31(40-32)38-29-20-12-5-4-11-19(20)27(34-25)36-29;;/h2-17H,1H2;;1H/q-2;+3;/p-1/rC32H18AlClN8/c1-2-3-10-18-17-25-35-26-19-11-4-5-12-20(19)28(36-26)39-31-23-15-8-9-16-24(23)32-40-29-22-14-7-6-13-21(22)27(37-29)38-30(18)41(25)33(34)42(31)32/h2-17H,1H2",C32H16AlClN8,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16735,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.530,VZSMUWVEWLVVRM-UHFFFAOYSA-M,,,,,,,,,,,
100.063.148,269-484-0,68247-85-8,Peplomycin,"2-({2-[2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)carbonyl]amino}-3-[(2-hydroxy-4-{[2-hydroxy-1-({2-[4-({3-[(1-phenylethyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}carbamoyl)propyl]amino}-1,3-dimethyl-4-oxobutyl)amino]-1-(1H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)",CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN[C@@H](C)c7ccccc7,CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN[C@@H](C)c7ccccc7,"InChI=1/C61H88N18O21S2/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79)",C61H88N18O21S2,,,,,,QIMGFXOHTOXMQP-IZSDKEPHSA-N,,,,,,,,,,,
100.031.121,234-246-7,11015-37-5,Bambermycin,"3-{[{[3-{[3-acetamido-5-{[3-acetamido-4-hydroxy-6-methyl-5-({3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]tetrahydro-2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-[(3,8,8,14,18-pentamethyl-11-methylenenonadeca-2,6,13,17-tetraen-1-yl)oxy]propanoic acid (non-preferred name)",O[C@@H]2[C@@H](O)[C@@H](O[C@H](C(=O)N\\C1=C(/O)CCC1=O)[C@@H]2O)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3C)O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]5CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H]6[C@@H](OC(N)=O)[C@](C)(O)[C@H](O[C@@H]6OP(O)(=O)OC[C@@H](OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CC\\C=C(/C)C)C(O)=O)C(N)=O,O[C@@H]2[C@@H](O)[C@@H](O[C@H](C(=O)N\C1=C(/O)CCC1=O)[C@@H]2O)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3C)O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]5CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H]6[C@@H](OC(N)=O)[C@](C)(O)[C@H](O[C@@H]6OP(O)(=O)OC[C@@H](OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CC\C=C(/C)C)C(O)=O)C(N)=O,"InChI=1/C69H108N5O34P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(61(90)91)29-98-109(94,95)108-66-56(57(107-67(71)92)69(11,93)58(106-66)59(70)88)105-63-44(73-36(8)77)47(82)54(40(101-63)28-97-64-51(86)48(83)45(80)39(27-75)100-64)103-62-43(72-35(7)76)46(81)53(34(6)99-62)102-65-52(87)49(84)50(85)55(104-65)60(89)74-42-37(78)20-21-38(42)79/h13,15,18,23-24,34,39-41,43-58,62-66,75,78,80-87,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,88)(H2,71,92)(H,72,76)(H,73,77)(H,74,89)(H,90,91)(H,94,95)",-,,,,,,CWWXIJNUPCBGQG-ZLPAOQQDSA-N,,,,,,,,,,,
100.047.366,252-118-9,34620-76-3,O-a-D-glucopyranosyl-(1<U+2192>4)-O-a-D-glucopyranosyl-(1<U+2192>4)-O-a-D-glucopyranosyl-(1<U+2192>4)-O-a-D-glucopyranosyl-(1<U+2192>4)-D-glucose,"6-{[6-{[6-({4,5-dihydroxy-2-(hydroxymethyl)-6-[2,3,4-trihydroxy-1-(hydroxymethoxy)butoxy]tetrahydro-2H-pyran-3-yl}oxy)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)",OCOC(OC1OC(CO)C(OC2OC(O)C(OC3OC(CO)C(OC4OC(O)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CO,OCOC(OC1OC(CO)C(OC2OC(O)C(OC3OC(CO)C(OC4OC(O)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CO,"InChI=1/C27H48O26/c28-1-5(32)8(33)23(45-4-31)53-25-16(41)11(36)19(7(3-30)47-25)49-27-17(42)12(37)20(22(44)52-27)50-24-15(40)10(35)18(6(2-29)46-24)48-26-14(39)9(34)13(38)21(43)51-26/h5-44H,1-4H2",C30H52O26,,,,,,JAEVVUVBPPQABG-UHFFFAOYSA-N,,,,,,,,,,,
100.080.879,288-999-1,85959-09-7,"1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt","sodium 4-{[5-({4-[(4-{2-[4-({4-[(3-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}-3-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].O=S(O)(=O)c1ccc(cc1)N%10/N=C(/C(=O)[O-])C(N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(C=Cc4ccc(cc4S(O)(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\\C(=N/N(c6ccc(cc6)S(O)(=O)=O)C7=O)C(O)=O)c(cc8)S(O)(=O)=O)c(c9)S(O)(=O)=O)C%10=O,[Na+].O=S(O)(=O)c1ccc(cc1)N%10/N=C(/C(=O)[O-])C(N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(C=Cc4ccc(cc4S(O)(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\C(=N/N(c6ccc(cc6)S(O)(=O)=O)C7=O)C(O)=O)c(cc8)S(O)(=O)=O)c(c9)S(O)(=O)=O)C%10=O,"InChI=1/C52H36Cl2N18O24S6.Na/c53-47-59-49(55-25-7-17-35(99(85,86)87)33(19-25)65-67-39-41(45(75)76)69-71(43(39)73)29-9-13-31(14-10-29)97(79,80)81)63-51(61-47)57-27-5-3-23(37(21-27)101(91,92)93)1-2-24-4-6-28(22-38(24)102(94,95)96)58-52-62-48(54)60-50(64-52)56-26-8-18-36(100(88,89)90)34(20-26)66-68-40-42(46(77)78)70-72(44(40)74)30-11-15-32(16-12-30)98(82,83)84;/h1-22,39-40H,(H,75,76)(H,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,55,57,59,61,63)(H2,56,58,60,62,64);/q;+1/p-1",C52H36Cl2N18O24S6.xNa,,,,,,QTHDQFFXADQENS-UHFFFAOYSA-M,,,,,,,,,,,
100.054.654,260-138-4,56377-79-8,Nosiheptide,"N-(1-carbamoylvinyl)-2-[21-ethylidene-9,30-dihydroxy-18-(1-hydroxyethyl)-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decaazanonacyclo[26.16.6.1~2,5~.1~12,15~.1~22,25~.1~38,41~.1~47,50~.0~6,11~.0~34,39~]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide (non-preferred name)",C\\C=C1/NC(=O)C(NC(=O)C2=CSC(=N2)C3=CC(O)=C(N=C3C4=CSC(=N4)C5CSC(=O)C6=C(C)C7=C(N6)C=CC=C7COC(=O)C(O)CC(NC(=O)C8=CSC1=N8)C9=NC(=CS9)C(=O)N5)C%10=NC(=CS%10)C(=O)NC(=C)C(N)=O)C(C)O,C\C=C1/NC(=O)C(NC(=O)C2=CSC(=N2)C3=CC(O)=C(N=C3C4=CSC(=N4)C5CSC(=O)C6=C(C)C7=C(N6)C=CC=C7COC(=O)C(O)CC(NC(=O)C8=CSC1=N8)C9=NC(=CS9)C(=O)N5)C%10=NC(=CS%10)C(=O)NC(=C)C(N)=O)C(C)O,"InChI=1/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)",C51H43N13O12S6,,,,,,OQAOHXRUMXWDLQ-FPQMYIDKSA-N,,,,,,,,,,,
100.067.638,274-425-7,70210-29-6,"Benzoic acid, 3,3'-[1,2-ethanediylbis[oxycarbonylimino-4,1-phenyleneimino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo[2-(carboxymethoxy)-4,1-naphthalenediyl]azo-4,1-phenylenecarbonylimino]]bis[6-hydroxy-, hexasodium salt","hexasodium 3,3'-(ethane-1,2-diylbis{oxycarbonylimino-4,1-phenyleneimino(1-hydroxy-3-sulfonatonaphthalene-6,2-diyl)diazene-2,1-diyl[2-(carboxylatomethoxy)naphthalene-4,1-diyl]diazene-2,1-diyl-4,1-phenylenecarbonylimino})bis(6-hydroxybenzoate)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Oc6c(N=Nc4cc(OCC([O-])=O)c(N=Nc1ccc(cc1)C(=O)Nc2cc(C([O-])=O)c(O)cc2)c3ccccc34)c(cc5cc(ccc56)Nc7ccc(cc7)NC(=O)OCCOC(=O)Nc8ccc(cc8)Nc%13cc%14cc(c(N=Nc%11cc(OCC([O-])=O)c(N=Nc9ccc(cc9)C(=O)Nc%10cc(C([O-])=O)c(O)cc%10)c%12ccccc%11%12)c(O)c%14cc%13)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Oc6c(N=Nc4cc(OCC([O-])=O)c(N=Nc1ccc(cc1)C(=O)Nc2cc(C([O-])=O)c(O)cc2)c3ccccc34)c(cc5cc(ccc56)Nc7ccc(cc7)NC(=O)OCCOC(=O)Nc8ccc(cc8)Nc%13cc%14cc(c(N=Nc%11cc(OCC([O-])=O)c(N=Nc9ccc(cc9)C(=O)Nc%10cc(C([O-])=O)c(O)cc%10)c%12ccccc%11%12)c(O)c%14cc%13)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C88H64N14O26S2.6Na/c103-69-31-27-57(39-65(69)85(113)114)91-83(111)45-9-13-53(14-10-45)95-99-77-63-7-3-1-5-61(63)67(41-71(77)127-43-75(105)106)97-101-79-73(129(119,120)121)37-47-35-55(25-29-59(47)81(79)109)89-49-17-21-51(22-18-49)93-87(117)125-33-34-126-88(118)94-52-23-19-50(20-24-52)90-56-26-30-60-48(36-56)38-74(130(122,123)124)80(82(60)110)102-98-68-42-72(128-44-76(107)108)78(64-8-4-2-6-62(64)68)100-96-54-15-11-46(12-16-54)84(112)92-58-28-32-70(104)66(40-58)86(115)116;;;;;;/h1-32,35-42,89-90,103-104,109-110H,33-34,43-44H2,(H,91,111)(H,92,112)(H,93,117)(H,94,118)(H,105,106)(H,107,108)(H,113,114)(H,115,116)(H,119,120,121)(H,122,123,124);;;;;;/q;6*+1/p-6",C88H64N14O26S2.6Na,,,,,,XQBDAGDKRYJZOW-UHFFFAOYSA-H,,,,,,,,,,,
100.070.375,277-436-5,73398-37-5,"1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, hexasodium salt","hexasodium 4,4'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)diazene-2,1-diyl]}bis[5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate]",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c1ccc(cc1)N%10/N=C(/C(=O)[O-])C(N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(C=Cc4ccc(cc4S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\\C(=N/N(c6ccc(cc6)S([O-])(=O)=O)C7=O)C([O-])=O)c(cc8)S(O)(=O)=O)c(c9)S([O-])(=O)=O)C%10=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c1ccc(cc1)N%10/N=C(/C(=O)[O-])C(N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(C=Cc4ccc(cc4S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\C(=N/N(c6ccc(cc6)S([O-])(=O)=O)C7=O)C([O-])=O)c(cc8)S(O)(=O)=O)c(c9)S([O-])(=O)=O)C%10=O,"InChI=1/C52H36Cl2N18O24S6.6Na/c53-47-59-49(55-25-7-17-35(99(85,86)87)33(19-25)65-67-39-41(45(75)76)69-71(43(39)73)29-9-13-31(14-10-29)97(79,80)81)63-51(61-47)57-27-5-3-23(37(21-27)101(91,92)93)1-2-24-4-6-28(22-38(24)102(94,95)96)58-52-62-48(54)60-50(64-52)56-26-8-18-36(100(88,89)90)34(20-26)66-68-40-42(46(77)78)70-72(44(40)74)30-11-15-32(16-12-30)98(82,83)84;;;;;;/h1-22,39-40H,(H,75,76)(H,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;/q;6*+1/p-6",C52H36Cl2N18O24S6.6Na,,,,,,WPQITRLFJZQCJY-UHFFFAOYSA-H,,,,,,,,,,,
100.000.618,200-680-0,68-19-9,Cyanocobalamin,cyanocobalamin,CC(CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N=C1\\C(=C\\3/N=C(\\C=C/4\\N=C(\\C(=C/5\\[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N5[Co+]C#N)\\C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)C(C)(C)[C@@H]3CCC(=O)N)\\C)OP(=O)([O-])O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78,CC(CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N=C1\C(=C\3/N=C(\C=C/4\N=C(\C(=C/5\[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N5[Co+]C#N)\C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)C(C)(C)[C@@H]3CCC(=O)N)\C)OP(=O)([O-])O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78,"InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/rC63H89CoN14O14P/c1-30-20-40-41(21-31(30)2)77(29-73-40)58-53(87)54(42(27-79)90-58)92-93(88,89)91-32(3)26-72-50(86)18-19-60(8)38(22-47(69)83)57-63(11)62(10,25-49(71)85)37(14-17-46(68)82)52(78(63)64-28-65)34(5)56-61(9,24-48(70)84)35(12-15-44(66)80)39(74-56)23-43-59(6,7)36(13-16-45(67)81)51(75-43)33(4)55(60)76-57/h20-21,23,29,32,35-38,42,53-54,57-58,79,87H,12-19,22,24-27H2,1-11H3,(H2,66,80)(H2,67,81)(H2,68,82)(H2,69,83)(H2,70,84)(H2,71,85)(H,72,86)(H,88,89)/q+1/p-1",C63H88CoN14O14P,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10110,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.618,RMRCNWBMXRMIRW-WYVZQNDMSA-L,,,,,,,,,,,
100.089.009,297-956-6,93776-28-4,"Ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] phosphate","ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] phosphate",[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,[NH4+].[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F,"InChI=1/C38H9F70O4P.H3N/c39-5(40,9(45,46)13(53,54)17(61,62)21(69,70)25(77,78)29(85,86)33(93,94)31(89,90)27(81,82)23(73,74)19(65,66)15(57,58)11(49,50)7(43,35(97,98)99)36(100,101)102)1-3-111-113(109,110)112-4-2-6(41,42)10(47,48)14(55,56)18(63,64)22(71,72)26(79,80)30(87,88)34(95,96)32(91,92)28(83,84)24(75,76)20(67,68)16(59,60)12(51,52)8(44,37(103,104)105)38(106,107)108;/h1-4H2,(H,109,110);1H3",C38H9F70O4P.H3N,,,,,,FXCLFLOUGBGIGW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.631,231-493-2,7585-39-9,Cycloheptapentylose,"5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)",OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]1[C@H](O)[C@H]2O,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]1[C@H](O)[C@H]2O,"InChI=1/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2",C42H70O35,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/1942,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.631,WHGYBXFWUBPSRW-FOUAGVGXSA-N,,,,,,,,,,,
100.067.665,274-455-0,70224-84-9,"1H-Pyrazole-3-carboxylic acid, 4,4'-[carbonylbis[imino(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, octasodium salt","octasodium 4-({5-[(4-{[4-({[4-({4-[(3-{[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatophenyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-2-sulfonatophenyl]carbamoyl}amino)-3-sulfonatophenyl]amino}-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccc(cc3N=NC2C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)\\C(=O)[O-])Nc4nc(nc(Cl)n4)Nc%10ccc(NC(=O)Nc5ccc(cc5S([O-])(=O)=O)Nc6nc(nc(Cl)n6)Nc9cc(N=NC8\\C(=N/N(c7ccc(cc7)S([O-])(=O)=O)C8=O)C([O-])=O)c(cc9)S([O-])(=O)=O)c(c%10)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccc(cc3N=NC2C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)\C(=O)[O-])Nc4nc(nc(Cl)n4)Nc%10ccc(NC(=O)Nc5ccc(cc5S([O-])(=O)=O)Nc6nc(nc(Cl)n6)Nc9cc(N=NC8\C(=N/N(c7ccc(cc7)S([O-])(=O)=O)C8=O)C([O-])=O)c(cc9)S([O-])(=O)=O)c(c%10)S([O-])(=O)=O,"InChI=1/C51H36Cl2N20O25S6.8Na/c52-45-60-47(54-21-3-15-33(101(87,88)89)31(17-21)66-68-37-39(43(76)77)70-72(41(37)74)25-5-9-27(10-6-25)99(81,82)83)64-49(62-45)56-23-1-13-29(35(19-23)103(93,94)95)58-51(80)59-30-14-2-24(20-36(30)104(96,97)98)57-50-63-46(53)61-48(65-50)55-22-4-16-34(102(90,91)92)32(18-22)67-69-38-40(44(78)79)71-73(42(38)75)26-7-11-28(12-8-26)100(84,85)86;;;;;;;;/h1-20,37-38H,(H,76,77)(H,78,79)(H2,58,59,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,54,56,60,62,64)(H2,55,57,61,63,65);;;;;;;;/q;8*+1/p-8",C51H36Cl2N20O25S6.8Na,,,,,,SWAJXMQBYUXCRH-UHFFFAOYSA-F,,,,,,,,,,,
100.092.549,301-849-2,94086-61-0,"Octaammonium 6,13-dichloro-3,10-bis[[4-[[4-chloro-6-[(3-phosphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]disulphonatophenyl]amino]triphenodioxazine-4,11-disulphonate",-,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])c1cccc(Nc2nc(Cl)nc(Nc3ccc(Nc4ccc5N=C6C(=C7Oc8c(ccc(Nc9ccc(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)([O-])[O-])n%10)c(c9S(=O)(=O)[O-])S(=O)(=O)[O-])c8S(=O)(=O)[O-])N=C7C(=C6Oc5c4S(=O)(=O)[O-])Cl)Cl)c(c3S(=O)(=O)[O-])S(=O)(=O)[O-])n2)c1,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])c1cccc(Nc2nc(Cl)nc(Nc3ccc(Nc4ccc5N=C6C(=C7Oc8c(ccc(Nc9ccc(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)([O-])[O-])n%10)c(c9S(=O)(=O)[O-])S(=O)(=O)[O-])c8S(=O)(=O)[O-])N=C7C(=C6Oc5c4S(=O)(=O)[O-])Cl)Cl)c(c3S(=O)(=O)[O-])S(=O)(=O)[O-])n2)c1,"InChI=1/C48H32Cl4N14O26P2S6.8H3N/c49-29-32-36(92-34-22(58-32)8-10-24(38(34)96(76,77)78)56-26-12-14-28(42(100(88,89)90)40(26)98(82,83)84)60-48-64-44(52)62-46(66-48)54-18-4-2-6-20(16-18)94(70,71)72)30(50)31-35(29)91-33-21(57-31)7-9-23(37(33)95(73,74)75)55-25-11-13-27(41(99(85,86)87)39(25)97(79,80)81)59-47-63-43(51)61-45(65-47)53-17-3-1-5-19(15-17)93(67,68)69;;;;;;;;/h1-16,55-56H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,59,61,63,65)(H2,54,60,62,64,66);8*1H3/p-2",C48H32Cl4N14O26P2S6.8H3N,,,,,,DBMKUJWCUGZFKY-UHFFFAOYSA-L,,,,,,,,,,,
100.037.647,241-429-5,17406-45-0,Tomatine,spirosolan-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside,C[C@H]1CC[C@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]7O,C[C@H]1CC[C@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]7O,"InChI=1/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3",C50H83NO21,,,,,,REJLGAUYTKNVJM-SGXCCWNXSA-N,,,,,,,,,,,
100.069.112,276-046-2,71827-03-7,"Avermectin A1a, 5-O-demethyl-22,23-dihydro-","6'-sec-butyl-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside",CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\\C=C(/C)\\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\\C=C\\C=C\\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2,CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2,"InChI=1/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3",C48H74O14,,,,,,AZSNMRSAGSSBNP-XPNPUAGNSA-N,,,,,,,,,,,
100.066.947,273-662-3,68991-98-0,"1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[6-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-, hexasodium salt","hexasodium 4,4'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis{6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzene-1,3-disulfonate}",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].C\\C8=C(/C(=O)N)C(=O)N(CC)C(\\O)=C8\\N=Nc7cc(Nc1nc(nc(Cl)n1)Nc6ccc(C=Cc2ccc(cc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)Nc5cc(N=N/C4=C(\\O)N(CC)C(=O)/C(=C4/C)C(N)=O)c(cc5S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O)c(cc7S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].C\C8=C(/C(=O)N)C(=O)N(CC)C(\O)=C8\N=Nc7cc(Nc1nc(nc(Cl)n1)Nc6ccc(C=Cc2ccc(cc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)Nc5cc(N=N/C4=C(\O)N(CC)C(=O)/C(=C4/C)C(N)=O)c(cc5S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O)c(cc7S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C50H44Cl2N18O24S6.6Na/c1-5-69-41(73)35(39(53)71)19(3)37(43(69)75)67-65-27-15-25(31(97(83,84)85)17-33(27)99(89,90)91)57-49-61-45(51)59-47(63-49)55-23-11-9-21(29(13-23)95(77,78)79)7-8-22-10-12-24(14-30(22)96(80,81)82)56-48-60-46(52)62-50(64-48)58-26-16-28(34(100(92,93)94)18-32(26)98(86,87)88)66-68-38-20(4)36(40(54)72)42(74)70(6-2)44(38)76;;;;;;/h7-18,75-76H,5-6H2,1-4H3,(H2,53,71)(H2,54,72)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;/q;6*+1/p-6",C50H44Cl2N18O24S6.6Na,,,,,,CIMREIWUKKSZFD-UHFFFAOYSA-H,,,,,,,,,,,
100.089.102,298-059-2,93777-29-8,"7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosan-21-one, 20,20'-[[2,2-bis[[2-hydroxy-3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]heneicos-20-yl)propoxy]methyl]-1,3-propanediyl]bis[oxy(2-hydroxy-3,1-propanediyl)]]bis[2,2,4,4-tetramethyl-","20-[2-hydroxy-3-(3-[2-hydroxy-3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]henicos-20-yl)propoxy]-2,2-bis{[2-hydroxy-3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]henicos-20-yl)propoxy]methyl}propoxy)propyl]-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]henicosan-21-one",CC1(C)CC2(CC(C)(C)N1)OC3(CCCCCCCCCCC3)N(CC(O)COCC(COCC(O)CN4C(=O)C5(CC(C)(C)NC(C)(C)C5)OC46CCCCCCCCCCC6)(COCC(O)CN7C(=O)C8(CC(C)(C)NC(C)(C)C8)OC79CCCCCCCCCCC9)COCC(O)CN%10C(=O)C%11(CC(C)(C)NC(C)(C)C%11)OC%10%12CCCCCCCCCCC%12)C2=O,CC1(C)CC2(CC(C)(C)N1)OC3(CCCCCCCCCCC3)N(CC(O)COCC(COCC(O)CN4C(=O)C5(CC(C)(C)NC(C)(C)C5)OC46CCCCCCCCCCC6)(COCC(O)CN7C(=O)C8(CC(C)(C)NC(C)(C)C8)OC79CCCCCCCCCCC9)COCC(O)CN%10C(=O)C%11(CC(C)(C)NC(C)(C)C%11)OC%10%12CCCCCCCCCCC%12)C2=O,"InChI=1/C105H188N8O16/c1-89(2)69-98(70-90(3,4)106-89)85(118)110(102(126-98)53-45-37-29-21-17-22-30-38-46-54-102)61-81(114)65-122-77-97(78-123-66-82(115)62-111-86(119)99(71-91(5,6)107-92(7,8)72-99)127-103(111)55-47-39-31-23-18-24-32-40-48-56-103,79-124-67-83(116)63-112-87(120)100(73-93(9,10)108-94(11,12)74-100)128-104(112)57-49-41-33-25-19-26-34-42-50-58-104)80-125-68-84(117)64-113-88(121)101(75-95(13,14)109-96(15,16)76-101)129-105(113)59-51-43-35-27-20-28-36-44-52-60-105/h81-84,106-109,114-117H,17-80H2,1-16H3",C105H188N8O16,,,,,,IWECNPUGBGBSCP-UHFFFAOYSA-N,,,,,,,,,,,
100.073.050,280-378-3,83346-78-5,"Methylenebis(6-benzoylbenzene-1,2,3,4-tetrayl) octakis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)","methylenebis-6-benzoylbenzene-5,1,2,3,4-pentayl octakis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)",[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3c(Cc4c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c(OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)c(OS(=O)(=O)c9cccc%10C(=O)C(=[N+]=[N-])C=Cc9%10)c(OS(=O)(=O)c%11cccc%12C(=O)C(=[N+]=[N-])C=Cc%11%12)c4C(=O)c%13ccccc%13)c(C(=O)c%14ccccc%14)c(OS(=O)(=O)c%15cccc%16C(=O)C(=[N+]=[N-])C=Cc%15%16)c(OS(=O)(=O)c%17cccc%18C(=O)C(=[N+]=[N-])C=Cc%17%18)c3OS(=O)(=O)c%19cccc%20C(=O)C(=[N+]=[N-])C=Cc%19%20)C1=O,[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc3c(Cc4c(OS(=O)(=O)c5cccc6C(=O)C(=[N+]=[N-])C=Cc56)c(OS(=O)(=O)c7cccc8C(=O)C(=[N+]=[N-])C=Cc78)c(OS(=O)(=O)c9cccc%10C(=O)C(=[N+]=[N-])C=Cc9%10)c(OS(=O)(=O)c%11cccc%12C(=O)C(=[N+]=[N-])C=Cc%11%12)c4C(=O)c%13ccccc%13)c(C(=O)c%14ccccc%14)c(OS(=O)(=O)c%15cccc%16C(=O)C(=[N+]=[N-])C=Cc%15%16)c(OS(=O)(=O)c%17cccc%18C(=O)C(=[N+]=[N-])C=Cc%17%18)c3OS(=O)(=O)c%19cccc%20C(=O)C(=[N+]=[N-])C=Cc%19%20)C1=O,"InChI=1/C107H52N16O34S8/c108-116-72-43-35-54-62(92(72)126)19-7-27-80(54)158(134,135)150-100-70(88(90(124)52-15-3-1-4-16-52)102(152-160(138,139)82-29-9-21-64-56(82)37-45-74(118-110)94(64)128)106(156-164(146,147)86-33-13-25-68-60(86)41-49-78(122-114)98(68)132)104(100)154-162(142,143)84-31-11-23-66-58(84)39-47-76(120-112)96(66)130)51-71-89(91(125)53-17-5-2-6-18-53)103(153-161(140,141)83-30-10-22-65-57(83)38-46-75(119-111)95(65)129)107(157-165(148,149)87-34-14-26-69-61(87)42-50-79(123-115)99(69)133)105(155-163(144,145)85-32-12-24-67-59(85)40-48-77(121-113)97(67)131)101(71)151-159(136,137)81-28-8-20-63-55(81)36-44-73(117-109)93(63)127/h1-50H,51H2",C87H44N12O26S6,,,,,,HCLMOGBDEFFGAR-UHFFFAOYSA-N,,,,,,,,,,,
100.046.667,251-349-2,33025-13-7,"4,4'-[carbonylbis[imino(3-sulpho-p-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulpho-m-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic] acid","4-({3-[(4-{[4-({[4-({4-[(5-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]carbamoyl}amino)-2-sulfophenyl]amino}-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}diazenyl)-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid",O=C(O)/C%10=N/N(c1ccc(cc1)S(O)(=O)=O)C(=O)C%10N=Nc9cc(Nc2nc(nc(Cl)n2)Nc3ccc(cc3S(O)(=O)=O)NC(=O)Nc8ccc(Nc4nc(nc(Cl)n4)Nc5cc(ccc5S(O)(=O)=O)N=NC7\\C(=N/N(c6ccc(cc6)S(O)(=O)=O)C7=O)C(O)=O)c(c8)S(O)(=O)=O)c(cc9)S(O)(=O)=O,O=C(O)/C%10=N/N(c1ccc(cc1)S(O)(=O)=O)C(=O)C%10N=Nc9cc(Nc2nc(nc(Cl)n2)Nc3ccc(cc3S(O)(=O)=O)NC(=O)Nc8ccc(Nc4nc(nc(Cl)n4)Nc5cc(ccc5S(O)(=O)=O)N=NC7\C(=N/N(c6ccc(cc6)S(O)(=O)=O)C7=O)C(O)=O)c(c8)S(O)(=O)=O)c(cc9)S(O)(=O)=O,"InChI=1/C51H36Cl2N20O25S6/c52-45-60-47(64-49(62-45)58-31-17-23(3-15-33(31)101(87,88)89)66-68-37-39(43(76)77)70-72(41(37)74)25-5-9-27(10-6-25)99(81,82)83)56-29-13-1-21(19-35(29)103(93,94)95)54-51(80)55-22-2-14-30(36(20-22)104(96,97)98)57-48-61-46(53)63-50(65-48)59-32-18-24(4-16-34(32)102(90,91)92)67-69-38-40(44(78)79)71-73(42(38)75)26-7-11-28(12-8-26)100(84,85)86/h1-20,37-38H,(H,76,77)(H,78,79)(H2,54,55,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,56,58,60,62,64)(H2,57,59,61,63,65)",C51H36Cl2N20O25S6,,,,,,KIIUSJQRKVTZQN-UHFFFAOYSA-N,,,,,,,,,,,
100.049.619,254-600-4,39717-39-0,Tin abietate,"tin(4+) tetraabieta-7,13-dien-18-oate",[Sn+4].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4.CC(C)C7=CC8=CC[C@@H]9[C@](C)(CCC[C@@]9(C)C(=O)[O-])[C@H]8CC7.CC(C)C%10=CC%11=CC[C@@H]%12[C@](C)(CCC[C@@]%12(C)C(=O)[O-])[C@H]%11CC%10,[Sn+4].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4.CC(C)C7=CC8=CC[C@@H]9[C@](C)(CCC[C@@]9(C)C(=O)[O-])[C@H]8CC7.CC(C)C%10=CC%11=CC[C@@H]%12[C@](C)(CCC[C@@]%12(C)C(=O)[O-])[C@H]%11CC%10,"InChI=1/4C20H30O2.Sn/c4*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h4*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;;;+4/p-4",C20H30O2.xSn,,,,,,ADFPMXRTZOLMRH-MSUPDTBESA-J,,,,,,,,,,,
100.072.884,280-195-9,83137-18-2,"Octasodium 3,3'-[1,3-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulphonato-3,1-phenylene)azo]]bis[5-amino-4-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate]","octasodium 3,3'-{1,3-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfonato-3,1-phenylene)diazene-2,1-diyl]}bis{5-amino-4-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate}",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c%11cc9cc(c(N=Nc1cc(ccc1S(=O)([O-])=O)Nc2nc(nc(Cl)n2)Nc8cccc(Nc7nc(Nc6ccc(c(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)S(=O)([O-])=O)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c6)S([O-])(=O)=O)nc(Cl)n7)c8)c(O)c9c(N)c%11N=Nc%10ccc(cc%10)S([O-])(=O)=O)S([O-])(=O)=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c%11cc9cc(c(N=Nc1cc(ccc1S(=O)([O-])=O)Nc2nc(nc(Cl)n2)Nc8cccc(Nc7nc(Nc6ccc(c(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)S(=O)([O-])=O)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c6)S([O-])(=O)=O)nc(Cl)n7)c8)c(O)c9c(N)c%11N=Nc%10ccc(cc%10)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1/C56H40Cl2N20O26S8.8Na/c57-51-65-53(69-55(67-51)63-29-8-14-35(107(87,88)89)33(21-29)73-77-47-39(111(99,100)101)18-23-16-37(109(93,94)95)45(43(59)41(23)49(47)79)75-71-25-4-10-31(11-5-25)105(81,82)83)61-27-2-1-3-28(20-27)62-54-66-52(58)68-56(70-54)64-30-9-15-36(108(90,91)92)34(22-30)74-78-48-40(112(102,103)104)19-24-17-38(110(96,97)98)46(44(60)42(24)50(48)80)76-72-26-6-12-32(13-7-26)106(84,85)86;;;;;;;;/h1-22,79-80H,59-60H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;;;/q;8*+1/p-8",C56H40Cl2N20O26S8.8Na,,,,,,GFGPZZNGMNAZIM-UHFFFAOYSA-F,,,,,,,,,,,
100.062.271,268-519-7,68110-30-5,"Octasodium 2,2'-[(2,2'-disulphonato[1,1'-biphenyl]-4,4'-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulphonatonaphthalene-6,2-diyl)azo]]bisnaphthalene-1,5-disulphonate","octasodium 4,4'-bis{[4-chloro-6-({6-[(1,5-disulfonato-2-naphthyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}amino)-1,3,5-triazin-2-yl]amino}biphenyl-2,2'-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c4cc1cc(ccc1c(O)c4N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc6ccc(c(c6)S([O-])(=O)=O)c7ccc(cc7S([O-])(=O)=O)Nc%12nc(Nc%10cc%11cc(c(N=Nc9ccc8c(cccc8c9S([O-])(=O)=O)S([O-])(=O)=O)c(O)c%11cc%10)S([O-])(=O)=O)nc(Cl)n%12,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c4cc1cc(ccc1c(O)c4N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc6ccc(c(c6)S([O-])(=O)=O)c7ccc(cc7S([O-])(=O)=O)Nc%12nc(Nc%10cc%11cc(c(N=Nc9ccc8c(cccc8c9S([O-])(=O)=O)S([O-])(=O)=O)c(O)c%11cc%10)S([O-])(=O)=O)nc(Cl)n%12,"InChI=1/C58H38Cl2N14O26S8.8Na/c59-53-65-55(61-27-7-11-31-25(19-27)21-45(105(89,90)91)47(49(31)75)73-71-39-17-15-35-37(51(39)107(95,96)97)3-1-5-41(35)101(77,78)79)69-57(67-53)63-29-9-13-33(43(23-29)103(83,84)85)34-14-10-30(24-44(34)104(86,87)88)64-58-68-54(60)66-56(70-58)62-28-8-12-32-26(20-28)22-46(106(92,93)94)48(50(32)76)74-72-40-18-16-36-38(52(40)108(98,99)100)4-2-6-42(36)102(80,81)82;;;;;;;;/h1-24,75-76H,(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;;;/q;8*+1/p-8",C58H38Cl2N14O26S8.8Na,,,,,,ZONNZHBNEGFXSA-UHFFFAOYSA-F,,,,,,,,,,,
100.060.814,266-915-4,67699-40-5,Vinzolidine,"methyl 9-[4-acetoxy-3'-(2-chloroethyl)-3a-ethyl-8-methoxy-6-methyl-2',4'-dioxo-3a,5a,6,11,12,13a-hexahydro-1H,4H-spiro[indolizino[8,1-cd]carbazole-5,5'-[1,3]oxazolidin]-9-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate",CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@]68CCN9CC=C[C@@](CC)([C@@H](OC(=O)C)[C@@]7%10OC(=O)N(CCCl)C%10=O)[C@@H]89)C1,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@]68CCN9CC=C[C@@](CC)([C@@H](OC(=O)C)[C@@]7%10OC(=O)N(CCCl)C%10=O)[C@@H]89)C1,"InChI=1/C48H58ClN5O9/c1-7-44(59)24-29-25-47(42(57)61-6,37-31(14-19-52(26-29)27-44)30-12-9-10-13-34(30)50-37)33-22-32-35(23-36(33)60-5)51(4)39-46(32)16-20-53-18-11-15-45(8-2,38(46)53)40(62-28(3)55)48(39)41(56)54(21-17-49)43(58)63-48/h9-13,15,22-23,29,38-40,50,59H,7-8,14,16-21,24-27H2,1-6H3",C48H58ClN5O9,,,,,,MMRCWWRFYLZGAE-JBJHZRFESA-N,,,,,,,,,,,
100.041.287,245-432-2,23109-05-9,a-Amanitin,"2-[29-sec-butyl-21-(2,3-dihydroxy-1-methylpropyl)-2,14-dihydroxy-11-oxido-5,8,20,23,24,27,30,33-octaoxo-1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetamide",CCC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)S(=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N5CC(O)C[C@H]5C(=O)N[C@@H](C(C)[C@@H](O)CO)C(=O)N2,CCC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)S(=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N5CC(O)C[C@H]5C(=O)N[C@@H](C(C)[C@@H](O)CO)C(=O)N2,"InChI=1/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)",C39H54N10O14S,,,,,,CIORWBWIBBPXCG-JZTFPUPKSA-N,,,,,,,,,,,
100.062.405,268-666-7,68133-23-3,"Hexasodium 6,3-dichloro-3,10-bis[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulphonatophenyl]amino]triphenodioxazine-4,11-disulphonate","hexasodium 3,6-dichloro-3,10-bis{[4-({4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl}amino)-2,5-disulfonatophenyl]amino}-3,7-dihydro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OP(=O)(O)c1cccc(Nc2nc(Cl)nc(Nc3cc(c(Nc4ccc5Nc6c(Cl)c7OC8=C(C(Cl)(Nc9cc(c(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)(O)O)n%10)cc9S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC8=Nc7cc6Oc5c4S(=O)(=O)[O-])S(=O)(=O)[O-])cc3S(=O)(=O)[O-])S(=O)(=O)[O-])n2)c1,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OP(=O)(O)c1cccc(Nc2nc(Cl)nc(Nc3cc(c(Nc4ccc5Nc6c(Cl)c7OC8=C(C(Cl)(Nc9cc(c(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)(O)O)n%10)cc9S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC8=Nc7cc6Oc5c4S(=O)(=O)[O-])S(=O)(=O)[O-])cc3S(=O)(=O)[O-])S(=O)(=O)[O-])n2)c1,"InChI=1/C48H34Cl4N14O26P2S6.6Na/c49-35-36-30(91-38-22(57-36)7-8-24(40(38)99(85,86)87)56-25-14-32(96(76,77)78)26(15-31(25)95(73,74)75)58-46-62-42(50)60-44(64-46)53-18-3-1-5-20(11-18)93(67,68)69)13-29-37(35)92-39-23(55-29)9-10-48(52,41(39)100(88,89)90)66-28-17-33(97(79,80)81)27(16-34(28)98(82,83)84)59-47-63-43(51)61-45(65-47)54-19-4-2-6-21(12-19)94(70,71)72;;;;;;/h1-17,56-57,66H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,58,60,62,64)(H2,54,59,61,63,65);;;;;;/q;6*+1/p-6",C48H32Cl4N14O26P2S6.6Na,,,,,,NIGKPLBLVJRRBB-UHFFFAOYSA-H,,,,,,,,,,,
100.067.664,274-454-5,70224-83-8,"Hexasodium 4,4'-bis[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate","hexasodium 4,4'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfonato-3,1-phenylene)diazene-2,1-diyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}bis(2,5-dichlorobenzenesulfonate)",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c1cc(Cl)c(cc1Cl)N%10/N=C(/C)C(N=Nc2cc(ccc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7C(\\C)=N/N(c6cc(Cl)c(cc6Cl)S([O-])(=O)=O)C7=O)c(cc8)S([O-])(=O)=O)c(c9)S([O-])(=O)=O)C%10=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c1cc(Cl)c(cc1Cl)N%10/N=C(/C)C(N=Nc2cc(ccc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7C(\C)=N/N(c6cc(Cl)c(cc6Cl)S([O-])(=O)=O)C7=O)c(cc8)S([O-])(=O)=O)c(c9)S([O-])(=O)=O)C%10=O,"InChI=1/C52H36Cl6N18O20S6.6Na/c1-21-43(45(77)75(73-21)35-17-31(55)41(19-29(35)53)101(91,92)93)71-69-33-13-25(9-11-37(33)97(79,80)81)59-49-63-47(57)65-51(67-49)61-27-7-5-23(39(15-27)99(85,86)87)3-4-24-6-8-28(16-40(24)100(88,89)90)62-52-66-48(58)64-50(68-52)60-26-10-12-38(98(82,83)84)34(14-26)70-72-44-22(2)74-76(46(44)78)36-18-32(56)42(20-30(36)54)102(94,95)96;;;;;;/h3-20,43-44H,1-2H3,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,59,61,63,65,67)(H2,60,62,64,66,68);;;;;;/q;6*+1/p-6",C52H36Cl6N18O20S6.6Na,,,,,,KKPMTXMREZGVGJ-GQJXTSOFSA-H,,,,,,,,,,,
100.049.302,254-251-8,39024-75-4,"1,3,4,6-tetrakis-O-(1-oxohexadecyl)-ß-D-fructofuranosyl-a-D-glucopyranoside tetrapalmitate","1,3,4,6-tetrakis-O-(1-oxohexadecyl)-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetrapalmitate",CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCC)(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2[O-])[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCC)(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2[O-])[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C76H141O15.4C16H32O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-66(78)85-62-65-72(88-68(80)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)74(89-69(81)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)76(90-65,91-73-71(83)70(82)64(61-77)87-75(73)84)63-86-67(79)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h64-65,70-75,77,82-83H,5-63H2,1-4H3;4*2-15H2,1H3,(H,17,18)/q-1;;;;/p-4",C140H262O19,,,,,,GFEINAYNHJCFHG-OZDXMWMRSA-J,,,,,,,,,,,
100.029.527,232-485-1,8052-16-2,Actinomycin C,"2-amino-N~1~-(13-sec-butyl-6-isopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-N~9~-(6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide",CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O,"InChI=1/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)",-,,,,,,QCXJFISCRQIYID-GKYLFGMSSA-N,,,,,,,,,,,
100.095.420,305-009-6,94333-32-1,"Bis[2,3-bis(palmitoyloxy)propyl] 6,12,17,23,28,34,39,45,50,56-decaoxo-9,20,31,42,53-pentakis(palmitoyloxy)-7,11,18,22,29,33,40,44,51,55-decaoxahenhexacontanedioate",-,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1/C201H362O42/c1-10-19-28-37-46-55-64-73-82-91-100-109-118-139-181(202)223-160-174(237-195(216)153-120-111-102-93-84-75-66-57-48-39-30-21-12-3)162-225-183(204)141-127-129-143-185(206)227-164-176(239-197(218)155-122-113-104-95-86-77-68-59-50-41-32-23-14-5)166-229-187(208)145-131-133-147-189(210)231-168-178(241-199(220)157-124-115-106-97-88-79-70-61-52-43-34-25-16-7)170-233-191(212)149-135-137-151-193(214)235-172-180(243-201(222)159-126-117-108-99-90-81-72-63-54-45-36-27-18-9)173-236-194(215)152-138-136-150-192(213)234-171-179(242-200(221)158-125-116-107-98-89-80-71-62-53-44-35-26-17-8)169-232-190(211)148-134-132-146-188(209)230-167-177(240-198(219)156-123-114-105-96-87-78-69-60-51-42-33-24-15-6)165-228-186(207)144-130-128-142-184(205)226-163-175(238-196(217)154-121-112-103-94-85-76-67-58-49-40-31-22-13-4)161-224-182(203)140-119-110-101-92-83-74-65-56-47-38-29-20-11-2/h174-180H,10-173H2,1-9H3",C201H362O42,,,,,,ZBBFMQAUSOENNK-UHFFFAOYSA-N,,,,,,,,,,,
100.014.351,215-786-2,1405-87-4,Bacitracin,"N-{[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}-L-leucyl-D-alpha-glutamyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]-L-isoleucinamide",CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)C(C)CC,CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)C(C)CC,"InChI=1/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)",-,,,,,,CLKOFPXJLQSYAH-NVOBBBONSA-N,,,,,,,,,,,
100.037.140,240-871-6,16846-24-5,Josamycin,"6-{[6-{[4-acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name)",COC1[C@@H](CC(=O)O[C@H](C)C\\C=C\\C=C\\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C,COC1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C,"InChI=1/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3",C42H69NO15,,,,,,XJSFLOJWULLJQS-HTYUZQQASA-N,,,,,,,,,,,
100.014.013,215-413-3,1326-03-0,"Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, molybdatetungstatephosphate",-,CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)O)c8ccc(cc8[o+]c6c5)N(CC)CC.CCN(CC)c9ccc%10c(c%11ccccc%11C(=O)O)c%12ccc(cc%12[o+]c%10c9)N(CC)CC.CCN(CC)c%13ccc%14c(c%15ccccc%15C(=O)O)c%16ccc(cc%16[o+]c%14c%13)N(CC)CC.OP(=O)(O)OO[W](=O)(=O)O.[O-][Mo](=O)=O,CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)O)c8ccc(cc8[o+]c6c5)N(CC)CC.CCN(CC)c9ccc%10c(c%11ccccc%11C(=O)O)c%12ccc(cc%12[o+]c%10c9)N(CC)CC.CCN(CC)c%13ccc%14c(c%15ccccc%15C(=O)O)c%16ccc(cc%16[o+]c%14c%13)N(CC)CC.OP(=O)(O)OO[W](=O)(=O)O.[O-][Mo](=O)=O,"InChI=1/4C28H30N2O3.Mo.H3O5P.H2O.5O.W/c4*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;;1-5-6(2,3)4;;;;;;;/h4*9-18H,5-8H2,1-4H3;;1H,(H2,2,3,4);1H2;;;;;;/q;;;;;;;;;;;-1;+2/p+2/r4C28H30N2O3.MoO3.H3O8PW/c4*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;2-1(3)4;1-9(2,3)7-8-10(4,5)6/h4*9-18H,5-8H2,1-4H3;;4H,(H2,1,2,3)/q;;;;-1;/p+4",-,,,,,,FZSISABGNSYJHS-UHFFFAOYSA-P,,,,,,,,,,,
100.031.126,234-251-4,11021-13-9,20-[(6-O-a-L-arabinopyranosyl-ß-D-glucopyranosyl)oxy]-12ß-hydroxydammar-24-en-3ß-yl 2-O-ß-D-glucopyranosyl-ß-D-glucopyranoside,20-[(6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside,CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)[C@@H]3[C@H](O)C[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]6CC[C@@]45C)C,CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)[C@@H]3[C@H](O)C[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]6CC[C@@]45C)C,"InChI=1/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3",C53H90O22,,,,,,NODILNFGTFIURN-GZPRDHCNSA-N,,,,,,,,,,,
100.068.259,275-108-6,71002-20-5,"Octasodium 2,2'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3,6-disulphonatonaphthalene-2,8-diyl)azo]]bisnaphthalene-1,5-disulphonate","octasodium 2,2'-{1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfonatonaphthalene-7,1-diyl)diazene-2,1-diyl]}dinaphthalene-1,5-disulfonate",[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])c%10c%11cccc(c%11ccc%10N=Nc9cc(cc8cc(c(Nc1nc(nc(Cl)n1)Nc7ccc(Nc6nc(Nc5c(cc4cc(cc(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n6)cc7)c(O)c89)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)([O-])=O,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])c%10c%11cccc(c%11ccc%10N=Nc9cc(cc8cc(c(Nc1nc(nc(Cl)n1)Nc7ccc(Nc6nc(Nc5c(cc4cc(cc(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n6)cc7)c(O)c89)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)([O-])=O,"InChI=1/C52H34Cl2N14O26S8.8Na/c53-47-59-49(63-51(61-47)57-41-37(99(83,84)85)17-21-15-25(95(71,72)73)19-33(39(21)43(41)69)67-65-31-13-11-27-29(45(31)101(89,90)91)3-1-5-35(27)97(77,78)79)55-23-7-9-24(10-8-23)56-50-60-48(54)62-52(64-50)58-42-38(100(86,87)88)18-22-16-26(96(74,75)76)20-34(40(22)44(42)70)68-66-32-14-12-28-30(46(32)102(92,93)94)4-2-6-36(28)98(80,81)82;;;;;;;;/h1-20,69-70H,(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;;;/q;8*+1/p-8",C52H34Cl2N14O26S8.8Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10897,https://echa.europa.eu/substance-information/-/substanceinfo/100.068.259,ODAJTFUSCNWRHZ-UHFFFAOYSA-F,,,,,,,,,,,
100.079.729,287-732-6,85567-19-7,"Butanedioic acid, bis[2-[[4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl][2-[[4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] ester","bis[2-({4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl}[2-({4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl}amino)ethyl]amino)ethyl] succinate",COCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(NCCN(CCOC(=O)CCC(=O)OCCN(CCNc3nc(nc(n3)N(CCCOC)C4CC(C)(C)NC(C)(C)C4)N(CCCOC)C5CC(C)(C)NC(C)(C)C5)c6nc(nc(n6)N(CCCOC)C7CC(C)(C)NC(C)(C)C7)N(CCCOC)C8CC(C)(C)NC(C)(C)C8)c9nc(nc(n9)N(CCCOC)C%10CC(C)(C)NC(C)(C)C%10)N(CCCOC)C%11CC(C)(C)NC(C)(C)C%11)nc(n2)N(CCCOC)C%12CC(C)(C)NC(C)(C)C%12,COCCCN(C1CC(C)(C)NC(C)(C)C1)c2nc(NCCN(CCOC(=O)CCC(=O)OCCN(CCNc3nc(nc(n3)N(CCCOC)C4CC(C)(C)NC(C)(C)C4)N(CCCOC)C5CC(C)(C)NC(C)(C)C5)c6nc(nc(n6)N(CCCOC)C7CC(C)(C)NC(C)(C)C7)N(CCCOC)C8CC(C)(C)NC(C)(C)C8)c9nc(nc(n9)N(CCCOC)C%10CC(C)(C)NC(C)(C)C%10)N(CCCOC)C%11CC(C)(C)NC(C)(C)C%11)nc(n2)N(CCCOC)C%12CC(C)(C)NC(C)(C)C%12,"InChI=1/C128H238N32O12/c1-113(2)75-91(76-114(3,4)143-113)153(53-41-65-163-33)105-131-101(132-106(139-105)154(54-42-66-164-34)92-77-115(5,6)144-116(7,8)78-92)129-51-61-151(103-135-109(157(57-45-69-167-37)95-83-121(17,18)147-122(19,20)84-95)141-110(136-103)158(58-46-70-168-38)96-85-123(21,22)148-124(23,24)86-96)63-73-171-99(161)49-50-100(162)172-74-64-152(104-137-111(159(59-47-71-169-39)97-87-125(25,26)149-126(27,28)88-97)142-112(138-104)160(60-48-72-170-40)98-89-127(29,30)150-128(31,32)90-98)62-52-130-102-133-107(155(55-43-67-165-35)93-79-117(9,10)145-118(11,12)80-93)140-108(134-102)156(56-44-68-166-36)94-81-119(13,14)146-120(15,16)82-94/h91-98,143-150H,41-90H2,1-40H3,(H,129,131,132,139)(H,130,133,134,140)",C128H238N32O12,,,,,,ZSPIQTVTZPBIJK-UHFFFAOYSA-N,,,,,,,,,,,
100.037.286,241-031-1,16960-16-0,Tetracosactide,"seryltyrosylserylmethionyl-alpha-glutamyl-3-imidazolidin-4-ylalanylphenylalanylarginyl-3-(2,3-dihydro-1H-indol-3-yl)alanylglycyllysylprolylvalylglycyllysyllysylarginylarginylprolylvalyllysylvalyltyrosylproline",CSCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC2CNCN2)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4CNc5ccccc45)C(=O)NCC(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N7CCCC7C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(Cc8ccc(O)cc8)C(=O)N9CCCC9C(=O)O,CSCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC2CNCN2)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4CNc5ccccc45)C(=O)NCC(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N7CCCC7C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(Cc8ccc(O)cc8)C(=O)N9CCCC9C(=O)O,"InChI=1/C136H216N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,75-77,81-82,86,88-105,109-111,148,152,155,177-180H,13-26,31-40,49-74,137-141H2,1-7H3,(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)",C136H210N40O31S,,,,,,JMBAVBXUSGRCCA-UHFFFAOYSA-N,,,,,,,,,,,
100.070.334,277-390-6,73338-66-6,"Pentapotassium N,N-bis[2-[bis(2-carboxyethyl)amino]ethyl]-ß-alaninate","pentapotassium N,N-bis[2-[bis(2-carboxyethyl)amino]ethyl]-beta-alaninate",[K+].[K+].[K+].[K+].[K+].OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O.OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O.OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O.OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O.OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O,[K+].[K+].[K+].[K+].[K+].OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O.OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O.OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O.OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O.OC(=O)CCN(CCN(CCN(CCC(=O)O)CCC(=O)O)CCC(=O)[O-])CCC(=O)O,"InChI=1/5C19H33N3O10.5K/c5*23-15(24)1-6-20(7-2-16(25)26)11-13-22(10-5-19(31)32)14-12-21(8-3-17(27)28)9-4-18(29)30;;;;;/h5*1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;;/q;;;;;5*+1/p-5",C19H33N3O10.5K,,,,,,CWXKZGWRWLPDQG-UHFFFAOYSA-I,,,,,,,,,,,
100.051.673,256-859-9,50935-71-2,Mocimycin,"N-(7-{3,4-dihydroxy-5-[7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl)-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dien-1-yltetrahydro-2H-pyran-2-yl)butanamide (non-preferred name)",O[C@@]1(O[C@@H](C=CC=CC)C(C)(C)[C@@H](O)[C@H]1O)[C@H](CC)C(=O)NCC=CC=C(C)[C@@H](OC)[C@@H](C)[C@@H]3O[C@H](C=CC=CC=C(C)C(=O)C\\2=C(/O)\\C=C/NC/2=O)[C@H](O)[C@@H]3O,O[C@@]1(O[C@@H](C=CC=CC)C(C)(C)[C@@H](O)[C@H]1O)[C@H](CC)C(=O)NCC=CC=C(C)[C@@H](OC)[C@@H](C)[C@@H]3O[C@H](C=CC=CC=C(C)C(=O)C\2=C(/O)\C=C/NC/2=O)[C@H](O)[C@@H]3O,"InChI=1/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)",C43H60N2O12,,,,,,HMSYAPGFKGSXAJ-KNHRXMRASA-N,,,,,,,,,,,
100.014.322,215-754-8,1401-69-0,Tylosin,"[12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside",CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\\C=C\\C(=C\\C1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)\\C,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\C1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)\C,"InChI=1/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3",C46H77NO17,,,,,,WBPYTXDJUQJLPQ-SZRMRBKTSA-N,,,,,,,,,,,
100.010.361,211-396-1,643-22-1,Erythromycin stearate,"heptadecanoic acid - 6-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (1:1) (non-preferred name)",CCCCCCCCCCCCCCCCC(O)=O.CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O,CCCCCCCCCCCCCCCCC(O)=O.CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O,"InChI=1/C37H67NO13.C17H34O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-16H2,1H3,(H,18,19)",C37H67NO13.C18H36O2,,,,,,SUDWFYYCHWBVFZ-YZPBMOCRSA-N,,,,,,,,,,,
100.072.250,279-499-4,80584-86-7,"Oxybispropylenebis[(1,5,9,13,17,21-hexamethyl-7,15,23,23-tetraphenoxy-3,6,8,11,14,16,19,22-octaoxa-7,15,23-triphosphatricos-1-yl)(phenyl)phosphine]","1,5,8,10,13,17,21,25,29,33-decamethyl-19,27,35,35-tetraphenoxy-6,12-diphenyl-3,9,15,18,20,23,26,28,31,34-decaoxa-6,12,19,27,35-pentaphosphapentatriacont-1-yl phenyl 1,5,9,13-tetramethyl-7,15,15-triphenoxy-3,6,8,11,14-pentaoxa-7,15-diphosphapentadec-1-yl phosphite (non-preferred name)",CC(COCC(C)OP(OC(C)COCC(C)P(CC(C)OC(C)CP(C(C)COCC(C)OP(OC(C)COCC(C)OP(OC(C)COCC(C)OP(Oc1ccccc1)Oc2ccccc2)Oc3ccccc3)Oc4ccccc4)c5ccccc5)c6ccccc6)Oc7ccccc7)OP(OC(C)COCC(C)OP(Oc8ccccc8)Oc9ccccc9)Oc%10ccccc%10,CC(COCC(C)OP(OC(C)COCC(C)P(CC(C)OC(C)CP(C(C)COCC(C)OP(OC(C)COCC(C)OP(OC(C)COCC(C)OP(Oc1ccccc1)Oc2ccccc2)Oc3ccccc3)Oc4ccccc4)c5ccccc5)c6ccccc6)Oc7ccccc7)OP(OC(C)COCC(C)OP(Oc8ccccc8)Oc9ccccc9)Oc%10ccccc%10,"InChI=1/C102H134O25P8/c1-79(110-130(120-93-45-25-15-26-46-93)112-83(5)69-105-71-85(7)118-134(124-97-53-33-19-34-54-97)125-98-55-35-20-36-56-98)65-103-67-81(3)114-132(122-95-49-29-17-30-50-95)116-87(9)73-107-75-91(13)128(101-61-41-23-42-62-101)77-89(11)109-90(12)78-129(102-63-43-24-44-64-102)92(14)76-108-74-88(10)117-133(123-96-51-31-18-32-52-96)115-82(4)68-104-66-80(2)111-131(121-94-47-27-16-28-48-94)113-84(6)70-106-72-86(8)119-135(126-99-57-37-21-38-58-99)127-100-59-39-22-40-60-100/h15-64,79-92H,65-78H2,1-14H3",C102H134O31P8,,,,,,QIXJNYCJUDMTME-UHFFFAOYSA-N,,,,,,,,,,,
100.000.756,200-831-0,75-01-4,Chloroethylene,chloroethene,ClC=C,ClC=C,"InChI=1/C2H3Cl/c1-2-3/h2H,1H2",C2H3Cl,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16163,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.756,BZHJMEDXRYGGRV-UHFFFAOYSA-N,,,,,,,,,,,
100.008.140,208-953-6,548-62-9,"[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,"InChI=1/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1",C25H30N3.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10024,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.140,ZXJXZNDDNMQXFV-UHFFFAOYSA-M,,,,,,,,,,,
100.018.131,219-943-6,2580-56-5,"[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride","N-(4-{(4-anilino-1-naphthyl)[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride",[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35,[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35,"InChI=1/C33H31N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H",C33H32N3.Cl,,,,,,LLWJPGAKXJBKKA-UHFFFAOYSA-N,,,,,,,,,,,
100.008.381,209-218-2,561-41-1,"4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol",bis[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methanol,CNc1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,CNc1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,"InChI=1/C24H29N3O/c1-25-21-12-6-18(7-13-21)24(28,19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,25,28H,1-5H3",C24H29N3O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13910,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.381,MAGJOSJRYKEYAZ-UHFFFAOYSA-N,,,,,,,,,,,
100.027.138,229-851-8,6786-83-0,"a,a-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol",(4-anilino-1-naphthyl){bis[4-(dimethylamino)phenyl]}methanol,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(Nc4ccccc4)c5ccccc35,CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(Nc4ccccc4)c5ccccc35,"InChI=1/C33H33N3O/c1-35(2)27-18-14-24(15-19-27)33(37,25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23,34,37H,1-4H3",C33H33N3O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10314,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.138,WNDULEJVCPEASN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.551,206-104-4,"301-04-2, 6080-56-4",Lead di(acetate),-,[Pb+2].[O-]C(C)=O.[O-]C(C)=O,[Pb+2].[O-]C(C)=O.[O-]C(C)=O,"InChI=1/2C2H4O2.Pb.2H/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;;/q;;+4;;/p-2/r2C2H4O2.H2Pb/c2*1-2(3)4;/h2*1H3,(H,3,4);1H2/q;;+4/p-2",C2H4O2.1/2Pb,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13113,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.551,GUWSLQUAAYEZAF-UHFFFAOYSA-L,,,,,,,,,,,
100.028.910,231-801-5,"7738-94-5, 13530-68-2",Chromic acid,dihydroxy(dioxo)chromium,O[Cr](=O)(=O)O,O[Cr](=O)(=O)O,"InChI=1/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2/rCrH2O4/c2-1(3,4)5/h2-3H",CrH2O4,,,,,,KRVSOGSZCMJSLX-UHFFFAOYSA-L,,,,,,,,,,,
100.008.049,208-853-2,"543-90-8, 5743-04-4",Cadmium di(acetate),cadmium diacetate,[Cd+2].CC(=O)[O-].CC(=O)[O-],[Cd+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Cd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Cd,,,,,,LHQLJMJLROMYRN-UHFFFAOYSA-L,,,,,,,,,,,
100.052.567,257-842-9,"52315-07-8, 67375-30-8","a-cyano-3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","cyano(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,"InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",C22H19Cl2NO3,,,,,,KAATUXNTWXVJKI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.881,231-768-7,"7723-14-0, 12185-10-3",Phosphorus,phosphine,P,P,InChI=1/H3P/h1H3,P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15360,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.881,XYFCBTPGUUZFHI-UHFFFAOYSA-N,,,,,,,,,,,
100.067.365,274-125-6,"69806-50-4, 79241-46-6",Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propionate,butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1,"InChI=1/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3",C19H20F3NO4,,,,,,VAIZTNZGPYBOGF-UHFFFAOYSA-N,Positive,EQ309301|EQ309302|EQ309303|EQ309304|EQ309305|EQ309306,[M+H]+,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,384.1423:328.0796:282.0742|282.0742:328.0797:254.0793|282.0742:91.0544:254.0792|91.0544:238.048:254.0792|91.0544:238.0479:254.0428|91.0544:238.0479:65.0387,Eawag,,,,,
100.044.370,248-823-6,28079-04-1,(Z)-dodec-8-enyl acetate,dodec-8-en-1-yl acetate,CCC\\C=C/CCCCCCCOC(=O)C,CCC\C=C/CCCCCCCOC(=O)C,"InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3",C14H26O2,,,,,,SUCYDSJQVVGOIW-WAYWQWQTSA-N,,,,,,,,,,,
100.033.448,236-809-2,13492-26-7,Dipotassium phosphonate,dipotassium phosphonate,[K+].[K+].[O-]P(=O)[O-],[K+].[K+].[O-]P(=O)[O-],"InChI=1/2K.H3O3P/c;;1-4(2)3/h;;4H,(H2,1,2,3)/q2*+1;/p-2",H3O3P.2K,,,,,,OZYJVQJGKRFVHQ-UHFFFAOYSA-L,,,,,,,,,,,
100.014.167,215-582-3,"1333-22-8, 12527-76-3",Tetracopper hexahydroxide sulphate,tetracopper hexahydroxide sulphate,[OH-].[OH-].[OH-].[OH-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[O-]S([O-])(=O)=O,[OH-].[OH-].[OH-].[OH-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[O-]S([O-])(=O)=O,"InChI=1/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8",Cu4H6O10S,,,,,,LITQZINTSYBKIU-UHFFFAOYSA-F,,,,,,,,,,,
100.041.002,245-119-0,22605-92-1,"Citric acid, nickel salt",nickel(2+) 2-(carboxymethyl)-2-hydroxysuccinate,[Ni+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],[Ni+2].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Ni/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2",C6H8O7.xNi,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13436,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.002,PVQDBEUVVVTFSY-UHFFFAOYSA-L,,,,,,,,,,,
100.002.707,202-977-0,101-80-4,"4,4'-oxydianiline","4,4'-oxydianiline",Nc1ccc(Oc2ccc(N)cc2)cc1,Nc1ccc(Oc2ccc(N)cc2)cc1,"InChI=1/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2",C12H12N2O,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13850,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.707,HLBLWEWZXPIGSM-UHFFFAOYSA-N,,,,,,,,,,,
100.040.200,244-236-4,21136-70-9,Benzidine sulphate,"biphenyl-4,4'-diamine sulfate",Nc1ccc(cc1)c2ccc(N)cc2.OS(=O)(=O)O,Nc1ccc(cc1)c2ccc(N)cc2.OS(=O)(=O)O,"InChI=1/C12H12N2.H2O4S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5(2,3)4/h1-8H,13-14H2;(H2,1,2,3,4)",C12H12N2.xH2O4S,,,,,,ZOXJIQNURSAHRV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.377,210-313-6,612-52-2,2-naphthylammonium chloride,naphthalen-2-aminium chloride,[Cl-].[NH3+]c1ccc2ccccc2c1,[Cl-].[NH3+]c1ccc2ccccc2c1,"InChI=1/C10H9N.ClH/c11-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,11H2;1H",C10H9N.ClH,,,,,,QKGIPGSKJBOHSL-UHFFFAOYSA-N,,,,,,,,,,,
100.008.561,209-415-3,577-71-9,"3,4-dinitrophenol","3,4-dinitrophenol",Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H",C6H4N2O5,,,,,,AKLOLDQYWQAREW-UHFFFAOYSA-N,,,,,,,,,,,
100.038.651,242-533-3,18721-51-2,Nickel(2+) hydrogen citrate,hydrogen nickel(2+) citrate,[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.Ni/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-3",C6H8O7.Ni,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/14580,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.651,PVQDBEUVVVTFSY-UHFFFAOYSA-K,,,,,,,,,,,
100.008.210,209-030-0,553-00-4,2-naphthylammonium acetate,naphthalen-2-aminium acetate,CC(=O)[O-].[NH3+]c1ccc2ccccc2c1,CC(=O)[O-].[NH3+]c1ccc2ccccc2c1,"InChI=1/C10H9N.C2H4O2/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2(3)4/h1-7H,11H2;1H3,(H,3,4)",C10H9N.C2H4O2,,,,,,IHTSMKSDNSSELM-UHFFFAOYSA-N,,,,,,,,,,,
100.033.748,237-138-8,13654-40-5,Nickel(2+) palmitate,nickel(2+) dihexadecanoate,[Ni+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],[Ni+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-],"InChI=1/2C16H32O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",C16H32O2.1/2Ni,,,,,,LXHKZDOLHOQBTR-UHFFFAOYSA-L,,,,,,,,,,,
100.048.153,252-984-8,36341-27-2,Benzidine acetate,"biphenyl-4,4'-diamine acetate",CC(=O)O.Nc1ccc(cc1)c2ccc(N)cc2,CC(=O)O.Nc1ccc(cc1)c2ccc(N)cc2,"InChI=1/C12H12N2.C2H4O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)",C12H12N2.xC2H4O2,,,,,,AAECWZSULYTBQR-UHFFFAOYSA-N,,,,,,,,,,,
100.070.874,277-985-0,74753-18-7,"4,4'-bi-o-toluidine sulphate","3,3'-dimethylbiphenyl-4,4'-diamine sulfate",Cc1cc(ccc1N)c2ccc(N)c(C)c2.OS(=O)(=O)O,Cc1cc(ccc1N)c2ccc(N)c(C)c2.OS(=O)(=O)O,"InChI=1/C14H16N2.H2O4S/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;1-5(2,3)4/h3-8H,15-16H2,1-2H3;(H2,1,2,3,4)",C14H16N2.xH2O4S,,,,,,OXFWUANWIXMLRI-UHFFFAOYSA-N,,,,,,,,,,,
100.009.385,210-322-5,612-82-8,"4,4'-bi-o-toluidine dihydrochloride","3,3'-dimethylbiphenyl-4,4'-diamine dihydrochloride",Cl.Cl.Cc1cc(ccc1N)c2ccc(N)c(C)c2,Cl.Cl.Cc1cc(ccc1N)c2ccc(N)c(C)c2,"InChI=1/C14H16N2.2ClH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H",C14H16N2.2ClH,,,,,,LUKPNZHXJRJBAN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.772,206-348-1,329-71-5,"2,5-dinitrophenol","2,5-dinitrophenol",Oc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],Oc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H",C6H4N2O5,,,,,,UWEZBKLLMKVIPI-UHFFFAOYSA-N,,,,,,,,,,,
100.020.094,222-102-6,4/08/3349,Nickel(2+) propionate,nickel(2+) dipropanoate,[Ni+2].CCC(=O)[O-].CCC(=O)[O-],[Ni+2].CCC(=O)[O-].CCC(=O)[O-],"InChI=1/2C3H6O2.Ni/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",C3H6O2.1/2Ni,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/19107,https://echa.europa.eu/substance-information/-/substanceinfo/100.020.094,CIMSFRCJLLCURG-UHFFFAOYSA-L,,,,,,,,,,,
100.004.883,205-370-9,139-65-1,"4,4'-thiodianiline","4,4'-sulfanediyldianiline",Nc1ccc(Sc2ccc(N)cc2)cc1,Nc1ccc(Sc2ccc(N)cc2)cc1,"InChI=1/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2",C12H12N2S,,,,,,ICNFHJVPAJKPHW-UHFFFAOYSA-N,Positive,SM811101;UF414301|UF414302|UF414303|UF414304,[M+H]+;[M+H]+,HCD35;HCD55|HCD80|CID35|CID55,217.0793:124.0215:200.0528;124.022:200.0537:217.0803|124.022:199.0459:167.0737|217.0802:124.022:200.0537|124.0219:200.0536:184.1004,CASMI_2016;UFZ,,,,,
100.008.508,209-357-9,573-56-8,"2,6-dinitrophenol","2,6-dinitrophenol",Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H",C6H4N2O5,,,,,,JCRIDWXIBSEOEG-UHFFFAOYSA-N,,,,,,,,,,,
100.028.619,231-480-1,7580-31-6,"2-ethylhexanoic acid, nickel salt",nickel(2+) bis(2-ethylhexanoate),[Ni+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ni+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Ni/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.xNi,,,,,,UVPKUTPZWFHAHY-UHFFFAOYSA-L,,,,,,,,,,,
100.007.747,208-520-1,531-86-2,"[[1,1'-biphenyl]-4,4'-diyl]diammonium sulphate","biphenyl-4,4'-diaminium sulfate",[NH3+]c1ccc(cc1)c2ccc([NH3+])cc2.[O-]S(=O)(=O)[O-],[NH3+]c1ccc(cc1)c2ccc([NH3+])cc2.[O-]S(=O)(=O)[O-],"InChI=1/C12H12N2.H2O4S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5(2,3)4/h1-8H,13-14H2;(H2,1,2,3,4)",C12H12N2.H2O4S,,,,,,ZOXJIQNURSAHRV-UHFFFAOYSA-N,,,,,,,,,,,
100.049.657,254-642-3,39819-65-3,Nickel bis(benzenesulphonate),nickel(2+) bisbenzenesulfonate,[Ni+2].[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,[Ni+2].[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c2ccccc2,"InChI=1/2C6H6O3S.Ni/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2",C6H6O3S.1/2Ni,,,,,,IBVWKDVFDAWRFU-UHFFFAOYSA-L,,,,,,,,,,,
100.007.746,208-519-6,531-85-1,Benzidine dihydrochloride,"biphenyl-4,4'-diamine dihydrochloride",Cl.Cl.Nc1ccc(cc1)c2ccc(N)cc2,Cl.Cl.Nc1ccc(cc1)c2ccc(N)cc2,"InChI=1/C12H12N2.2ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;/h1-8H,13-14H2;2*1H",C12H12N2.2ClH,,,,,,RUAXWVDEYJEWRY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.571,200-628-7,66-56-8,"2,3-dinitrophenol","2,3-dinitrophenol",Oc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],Oc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H",C6H4N2O5,,,,,,MHKBMNACOMRIAW-UHFFFAOYSA-N,Negative,,,,,,SM816551,[M-H]-,HCD35,183.0048:137.0118:153.0068,CASMI_2016
100.036.562,240-235-8,16083-14-0,Nickel(2+) trifluoroacetate,nickel(2+) bis(trifluoroacetate),[Ni+2].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F,[Ni+2].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F,"InChI=1/2C2HF3O2.Ni/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2",C2HF3O2.1/2Ni,,,,,,VBLNFWKVZVKXPH-UHFFFAOYSA-L,,,,,,,,,,,
100.022.455,224-699-9,4454-16-4,Nickel bis(2-ethylhexanoate),nickel(2+) bis(2-ethylhexanoate),[Ni+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],[Ni+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-],"InChI=1/2C8H16O2.Ni/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",C8H16O2.1/2Ni,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15964,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.455,UVPKUTPZWFHAHY-UHFFFAOYSA-L,,,,,,,,,,,
100.050.849,255-953-7,"42822-86-6, 1245629-80-4","2-hydroxy-a,a,4-trimethylcyclohexanemethanol",2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol,CC1CCC(C(O)C1)C(C)(C)O,CC1CCC(C(O)C1)C(C)(C)O,"InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3",C10H20O2,,,,,,LMXFTMYMHGYJEI-UHFFFAOYSA-N,,,,,,,,,,,
100.001.133,201-245-8,80-05-7,"4,4'-isopropylidenediphenol","4,4'-propane-2,2-diyldiphenol",CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,"InChI=1/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3",C15H16O2,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15752,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.133,IISBACLAFKSPIT-UHFFFAOYSA-N,Positive,EA016301|EA016303|EA016308|EA016309|EA016310|EA016312|EA016314,[M+H]+,CID35|HCD30|HCD15|HCD30|HCD45|HCD75|CID35,201.0794:159.1163:95.0853|229.1215:201.079:95.0855|229.1217:109.1014:201.0793|229.1216:219.09:95.0856|95.0854:81.0698:109.1015|95.0855:81.07|159.1167:169.0859:147.1165,Eawag,,,,,
100.018.338,220-171-7,"2650-44-4, 81012-89-7",Sodium naphthyl hydrogen phosphate,sodium 1-naphthyl hydrogen phosphate,[Na+].[O-]P(=O)(O)Oc2cccc1ccccc12,[Na+].[O-]P(=O)(O)Oc2cccc1ccccc12,"InChI=1/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-1",C10H9O4P.Na,,,,,,DELRLFMUZXCKAR-UHFFFAOYSA-M,,,,,,,,,,,
100.005.376,205-912-4,"206-44-0, 93951-69-0",Fluoranthene,fluoranthene,c1ccc2c(c1)c3cccc4cccc2c34,c1ccc2c(c1)c3cccc4cccc2c34,InChI=1/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H,C16H10,,,,,,GVEPBJHOBDJJJI-UHFFFAOYSA-N,,,,,,,,,,,
100.008.338,209-170-2,"557-34-6, 5970-45-6",Zinc di(acetate),zinc diacetate,[Zn+2].CC(=O)[O-].CC(=O)[O-],[Zn+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Zn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17716,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.338,DJWUNCQRNNEAKC-UHFFFAOYSA-L,,,,,,,,,,,
100.057.083,262-811-8,"59703-84-3, 61477-96-1","[2S-[2a,5a,6ß(S*)]]-6-[[[[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","6-{[{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O,"InChI=1/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)",C23H27N5O7S,,,,,,IVBHGBMCVLDMKU-GXNBUGAJSA-N,,,,,,,,,,,
100.000.482,200-529-9,"62-33-9, 6766-87-6",Sodium calcium edetate,"calcium disodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[Na+].[Na+].[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",C10H12CaN2O8.2Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5354,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.482,SHWNNYZBHZIQQV-UHFFFAOYSA-J,,,,,,,,,,,
100.018.424,220-266-3,"2695-37-6, 123333-94-8",Sodium 4-vinylbenzenesulphonate,sodium 4-vinylbenzenesulfonate,[Na+].[O-]S(=O)(=O)c1ccc(C=C)cc1,[Na+].[O-]S(=O)(=O)c1ccc(C=C)cc1,"InChI=1/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1",C8H8O3S.Na,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17787,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.424,XFTALRAZSCGSKN-UHFFFAOYSA-M,,,,,,,,,,,
100.013.880,215-267-0,"1317-36-8, 7439-92-1",Lead monoxide,-,O=[Pb],O=[Pb],InChI=1/O.Pb/q;+2/rOPb/c1-2/q+2,OPb,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15541,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.880,YEXPOXQUZXUXJW-UHFFFAOYSA-N,,,,,,,,,,,
100.010.356,211-390-9,"642-78-4, 7081-44-9",Cloxacillin sodium,"sodium 6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate",O.[Na+].Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)[O-],O.[Na+].Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)[O-],"InChI=1/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1",C19H18ClN3O5S.Na,,,,,,KCUWTKOTPIUBRI-VICXVTCVSA-M,,,,,,,,,,,
100.012.062,213-268-0,"116-02-9, 933-48-2","cis-3,5,5-trimethylcyclohexan-1-ol","3,3,5-trimethylcyclohexanol",C[C@H]1C[C@@H](O)CC(C)(C)C1,C[C@H]1C[C@@H](O)CC(C)(C)C1,"InChI=1/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3",C9H18O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5161,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.062,BRRVXFOKWJKTGG-JGVFFNPUSA-N,,,,,,,,,,,
100.033.648,237-029-5,"10294-42-5, 13590-82-4",Cerium(4+) disulphate,cerium(4+) disulfate,[Ce+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Ce+4].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Ce.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+4;;/p-4",Ce.2H2O4S,,,,,,VZDYWEUILIUIDF-UHFFFAOYSA-J,,,,,,,,,,,
100.030.257,233-297-2,"10108-73-3, 10294-41-4",Cerium trinitrate,cerium(3+) trinitrate,[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ce.3NO3/c;3*2-1(3)4/q+3;3*-1,Ce.3HNO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13575,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.257,HSJPMRKMPBAUAU-UHFFFAOYSA-N,,,,,,,,,,,
100.031.363,234-513-8,"7440-42-8, 12007-58-8",Diammonium tetraborate,diammonium tetraborate,[NH4+].[NH4+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[NH4+].[NH4+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/4BO3.2H3N/c4*2-1(3)4;;/h;;;;2*1H3/q4*-3;;/p+2,B4H8N2O7,,,,,,WNEPMEHTUPPOPI-UHFFFAOYSA-P,,,,,,,,,,,
100.016.752,218-426-2,"2150-44-9, 2411-83-8","Methyl 3,5-dihydroxybenzoate","methyl 3,5-dihydroxybenzoate",COC(=O)c1cc(O)cc(O)c1,COC(=O)c1cc(O)cc(O)c1,"InChI=1/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3",C8H8O4,,,,,,RNVFYQUEEMZKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.049,212-154-8,"80-71-7, 765-70-8","3-methylcyclopentane-1,2-dione","3-methylcyclopentane-1,2-dione",CC1CCC(=O)C1=O,CC1CCC(=O)C1=O,"InChI=1/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3",C6H8O2,,,,,,OACYKCIZDVVNJL-UHFFFAOYSA-N,,,,,,,,,,,
100.005.350,205-883-8,"191-24-2, 93951-66-7",Benzo[ghi]perylene,benzo[ghi]perylene,c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,InChI=1/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H,C22H12,,,,,,GYFAGKUZYNFMBN-UHFFFAOYSA-N,,,,,,,,,,,
100.022.489,224-736-9,"4024-46-8, 4468-02-4","Bis(D-gluconato-O1,O2)zinc","zinc bis(2,3,4,5,6-pentahydroxyhexanoate) (non-preferred name)",OCC(O)C(O)C(O)C(O)C(=O)O[Zn]OC(=O)C(O)C(O)C(O)C(O)CO,OCC(O)C(O)C(O)C(O)C(=O)O[Zn]OC(=O)C(O)C(O)C(O)C(O)CO,"InChI=1/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2",C12H22O14Zn,,,,,,WHMDKBIGKVEYHS-UHFFFAOYSA-L,,,,,,,,,,,
100.005.386,205-923-4,"218-01-9, 1719-03-5",Chrysene,chrysene,c1ccc2c(c1)ccc3c4ccccc4ccc23,c1ccc2c(c1)ccc3c4ccccc4ccc23,InChI=1/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H,C18H12,,,,,,WDECIBYCCFPHNR-UHFFFAOYSA-N,,,,,,,,,,,
100.028.645,231-509-8,"7601-54-9, 10101-89-0, 56802-99-4",Trisodium orthophosphate,trisodium phosphate,[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-],[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-],"InChI=1/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",H3O4P.3Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14805,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.645,RYFMWSXOAZQYPI-UHFFFAOYSA-K,,,,,,,,,,,
100.002.939,203-232-2,"104-74-5, 207234-02-4",1-dodecylpyridinium chloride,1-dodecylpyridinium chloride,[Cl-].CCCCCCCCCCCC[n+]1ccccc1,[Cl-].CCCCCCCCCCCC[n+]1ccccc1,"InChI=1/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1",C17H30N.Cl,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17639,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.939,GKQHIYSTBXDYNQ-UHFFFAOYSA-M,,,,,,,,,,,
100.037.009,240-726-7,"16679-58-6, 62357-86-2",Desmopressin,"1-{[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylglycinamide",NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N,NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N,"InChI=1/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)",C46H64N14O12S2,,,,,,NFLWUMRGJYTJIN-NXBWRCJVSA-N,,,,,,,,,,,
100.013.790,215-168-2,"1309-37-1, 7439-89-6",Diiron trioxide,-,O1[Fe]2O[Fe]1O2,O1[Fe]2O[Fe]1O2,InChI=1/2Fe.3O/rFe2O3/c3-1-4-2(3)5-1,Fe2O3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15552,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.790,JEIPFZHSYJVQDO-UHFFFAOYSA-N,,,,,,,,,,,
100.024.046,226-451-5,"5401-94-5, 64173-96-2",5-nitroindazole,5-nitro-2H-indazole,[O-][N+](=O)c1ccc2n[nH]cc2c1,[O-][N+](=O)c1ccc2n[nH]cc2c1,"InChI=1/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)",C7H5N3O2,,,,,,WSGURAYTCUVDQL-UHFFFAOYSA-N,,,,,,,,,,,
100.029.329,232-261-3,"7440-62-2, 7803-55-6",Ammonium trioxovanadate,ammonium trioxovanadate(1-),[NH4+].O=[V-](=O)=O,[NH4+].O=[V-](=O)=O,InChI=1/H3N.3O.V/h1H3;;;;/q;;;;-1/p+1/rH3N.O3V/c;1-4(2)3/h1H3;/q;-1/p+1,H4N.O3V,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11226,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.329,UXJVWJGDHIZPLD-UHFFFAOYSA-O,,,,,,,,,,,
100.000.530,200-582-8,"64-31-3, 6211-15-0",Morphine sulphate,"17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol sulfate (salt)",CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OS(=O)(=O)O,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OS(=O)(=O)O,"InChI=1/C17H19NO3.H2O4S/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4)",C17H19NO3.1/2H2O4S,,,,,,OOZBZVAQKFGLOL-VYKNHSEDSA-N,,,,,,,,,,,
100.028.371,231-208-1,"7446-70-0, 7784-13-6",Aluminium chloride,aluminum trichloride,Cl[Al](Cl)Cl,Cl[Al](Cl)Cl,InChI=1/Al.3ClH/h;3*1H/q+3;;;/p-3,AlCl3,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15901,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.371,VSCWAEJMTAWNJL-UHFFFAOYSA-K,,,,,,,,,,,
100.003.377,203-713-7,"109-86-4, 109-87-5",2-methoxyethanol,2-methoxyethanol,COCCO,COCCO,"InChI=1/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3",C3H8O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14919,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.377,XNWFRZJHXBZDAG-UHFFFAOYSA-N,,,,,,,,,,,
100.008.644,209-506-8,"583-52-8, 6487-48-5",Dipotassium oxalate,dipotassium oxalate,[K+].[K+].[O-]C(=O)C(=O)[O-],[K+].[K+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.2K/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",C2H2O4.2K,,,,,,IRXRGVFLQOSHOH-UHFFFAOYSA-L,,,,,,,,,,,
100.010.255,211-280-0,"87-00-3, 637-21-8",Homatropine hydrochloride,8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate hydrochloride,Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,"InChI=1/C16H21NO3.ClH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H",C16H21NO3.ClH,,,,,,FRMDDIJBLQNNTC-RDYJJYPNSA-N,,,,,,,,,,,
100.028.972,231-869-6,"7773-01-5, 13446-34-9, 64333-01-3",Manganese dichloride,manganese(2+) dichloride,Cl[Mn]Cl,Cl[Mn]Cl,InChI=1/2ClH.Mn/h2*1H;/q;;+2/p-2,Cl2Mn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10184,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.972,GLFNIEUTAYBVOC-UHFFFAOYSA-L,,,,,,,,,,,
100.006.147,206-761-7,"373-02-4, 6018-89-9",Nickel di(acetate),nickel(2+) diacetate,[Ni+2].CC(=O)[O-].CC(=O)[O-],[Ni+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Ni/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Ni,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13892,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.147,AIYYMMQIMJOTBM-UHFFFAOYSA-L,,,,,,,,,,,
100.039.559,243-531-5,"20123-80-2, 117552-78-0",Calcium dobesilate,"calcium bis(2,5-dihydroxybenzenesulfonate)",[Ca+2].Oc1ccc(O)c(c1)S(=O)(=O)[O-].Oc2ccc(O)c(c2)S(=O)(=O)[O-],[Ca+2].Oc1ccc(O)c(c1)S(=O)(=O)[O-].Oc2ccc(O)c(c2)S(=O)(=O)[O-],"InChI=1/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2",C6H6O5S.1/2Ca,,,,,,QGNBTYAQAPLTMX-UHFFFAOYSA-L,,,,,,,,,,,
100.025.459,228-005-5,"6068-72-0, 13036-50-5",4-cyanobenzoyl chloride,4-cyanobenzoyl chloride,ClC(=O)c1ccc(cc1)C#N,ClC(=O)c1ccc(cc1)C#N,InChI=1/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H,C8H4ClNO,,,,,,USEDMAWWQDFMFY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.009,205-509-3,"141-91-3, 6485-55-8","2,6-dimethylmorpholine","2,6-dimethylmorpholine",CC1CNCC(C)O1,CC1CNCC(C)O1,"InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3",C6H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/16356,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.009,HNVIQLPOGUDBSU-UHFFFAOYSA-N,,,,,,,,,,,
100.004.319,204-750-1,"125-69-9, 6700-34-1","(9a,13a,14a)-3-methoxy-17-methylmorphinan hydrobromide",3-methoxy-17-methylmorphinan hydrobromide,Br.COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1,Br.COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1,"InChI=1/C18H25NO.BrH/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H",C18H25NO.BrH,,,,,,MISZALMBODQYFT-URVXVIKDSA-N,,,,,,,,,,,
100.036.066,239-690-5,"10060-13-6, 15610-76-1",Diammonium tetrachlorocuprate,diammonium tetrachlorocuprate(2-),[NH4+].[NH4+].Cl[Cu-2](Cl)(Cl)Cl,[NH4+].[NH4+].Cl[Cu-2](Cl)(Cl)Cl,"InChI=1/4ClH.Cu.2H3N/h4*1H;;2*1H3/q;;;;+2;;/p-2/rCl4Cu.2H3N/c1-5(2,3)4;;/h;2*1H3/q-2;;/p+2",Cl4Cu.2H4N,,,,,,ZGSRGICQFXEMGO-UHFFFAOYSA-L,,,,,,,,,,,
100.004.177,204-593-9,"123-03-5, 6004-24-6",Cetylpyridinium chloride,1-hexadecylpyridinium chloride,[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1,[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1,"InChI=1/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1",C21H38N.Cl,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17221,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.177,YMKDRGPMQRFJGP-UHFFFAOYSA-M,,,,,,,,,,,
100.030.028,233-044-6,"10025-83-9, 14996-61-3",Iridium trichloride,iridium(3+) trichloride,[Cl-].[Cl-].[Cl-].[Ir+3],[Cl-].[Cl-].[Cl-].[Ir+3],InChI=1/3ClH.Ir/h3*1H;/q;;;+3/p-3,Cl3Ir,,,,,,DANYXEHCMQHDNX-UHFFFAOYSA-K,,,,,,,,,,,
100.004.414,204-854-7,"127-65-1, 7080-50-4",Tosylchloramide sodium,sodium chloro[(4-methylphenyl)sulfonyl]azanide,[Na+].O=S(=O)([N-]Cl)c1ccc(C)cc1,[Na+].O=S(=O)([N-]Cl)c1ccc(C)cc1,"InChI=1/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1",C7H8ClNO2S.Na,,,,,,VDQQXEISLMTGAB-UHFFFAOYSA-N,,,,,,,,,,,
100.037.282,241-026-4,"3142-72-1, 16957-70-3",(E)-2-methylpent-2-en-1-oic acid,2-methylpent-2-enoic acid,CC\\C=C(/C)\\C(=O)O,CC\C=C(/C)\C(=O)O,"InChI=1/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)",C6H10O2,,,,,,JJYWRQLLQAKNAD-SNAWJCMRSA-N,,,,,,,,,,,
100.004.430,204-872-5,"127-91-3, 18172-67-3",Pin-2(10)-ene,"6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane",CC1(C)C2CCC(=C)C1C2,CC1(C)C2CCC(=C)C1C2,"InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,,,,,,WTARULDDTDQWMU-UHFFFAOYSA-N,,,,,,,,,,,
100.035.809,239-407-5,"15375-84-5, 73637-20-4","Disodium [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']manganate(2-)","disodium [2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetato(4-)]manganate(2-)",[Na+].[Na+].[O-]C(=O)CN1CCN(CC(=O)O[Mn]OC(=O)C1)CC([O-])=O,[Na+].[Na+].[O-]C(=O)CN1CCN(CC(=O)O[Mn]OC(=O)C1)CC([O-])=O,"InChI=1/C10H16N2O8.Mn.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",C10H12MnN2O8.2Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16118,https://echa.europa.eu/substance-information/-/substanceinfo/100.035.809,ZQHKAIDDHTYINE-UHFFFAOYSA-J,,,,,,,,,,,
100.050.944,256-057-9,"43040-01-3, 43041-12-9",Methyl D-prolinate,methyl D-prolinate,COC(=O)[C@H]1CCCN1,COC(=O)[C@H]1CCCN1,"InChI=1/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3",C6H11NO2,,,,,,BLWYXBNNBYXPPL-RXMQYKEDSA-N,,,,,,,,,,,
100.000.126,200-137-8,"52-28-8, 41444-62-6",Codeine phosphate,"3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol phosphate (salt)",COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OP(=O)(O)O,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OP(=O)(O)O,"InChI=1/C18H21NO3.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;(H3,1,2,3,4)",C18H21NO3.H3O4P,,,,,,WUXLCJZUUHIXFY-FFHNEAJVSA-N,,,,,,,,,,,
100.002.891,203-180-0,"104-15-4, 6192-52-5",Toluene-4-sulphonic acid,4-methylbenzenesulfonic acid,Cc1ccc(cc1)S(=O)(=O)O,Cc1ccc(cc1)S(=O)(=O)O,"InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",C7H8O3S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15138,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.891,JOXIMZWYDAKGHI-UHFFFAOYSA-N,,,,,,,,,,,
100.006.417,207-057-2,"429-41-4, 22206-57-1, 87749-50-6",Tetrabutylammonium fluoride,"N,N,N-tributylbutan-1-aminium fluoride",[F-].CCCC[N+](CCCC)(CCCC)CCCC,[F-].CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",C16H36N.F,,,,,,FPGGTKZVZWFYPV-UHFFFAOYSA-M,,,,,,,,,,,
100.016.542,218-195-8,"2072-71-1, 2799-07-7",L-cysteinyl carbamate,carbamoyl L-cysteinate,N[C@@H](CS)C(=O)OC(=O)N,N[C@@H](CS)C(=O)OC(=O)N,"InChI=1/C4H8N2O3S/c5-2(1-10)3(7)9-4(6)8/h2,10H,1,5H2,(H2,6,8)",C4H8N2O3S,,,,,,WXXWDGOWESILMN-REOHCLBHSA-N,,,,,,,,,,,
100.030.353,233-402-1,"10026-22-9, 10141-05-6",Cobalt dinitrate,cobalt(2+) dinitrate,[Co+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Co+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Co.2NO3/c;2*2-1(3)4/q+2;2*-1,Co.2HNO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14964,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.353,UFMZWBIQTDUYBN-UHFFFAOYSA-N,,,,,,,,,,,
100.012.305,213-535-1,"969-33-5, 41354-29-4",Cyproheptadine hydrochloride,"4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine hydrochloride",Cl.CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,Cl.CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,"InChI=1/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H",C21H21N.ClH,,,,,,ZPMVNZLARAEGHB-UHFFFAOYSA-N,,,,,,,,,,,
100.006.765,207-439-9,"471-34-1, 7440-70-2",Calcium carbonate,calcium carbonate,[Ca+2].[O-]C(=O)[O-],[Ca+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Ca,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16050,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.765,VTYYLEPIZMXCLO-UHFFFAOYSA-L,,,,,,,,,,,
100.016.621,218-283-6,"367-22-6, 2106-04-9",3-chloro-2-fluoroaniline,3-chloro-2-fluoroaniline,Nc1cccc(Cl)c1F,Nc1cccc(Cl)c1F,"InChI=1/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2",C6H5ClFN,,,,,,XWBTZHDDWRNOQH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.289,233-332-1,"10124-37-5, 13477-34-4",Calcium nitrate,calcium dinitrate,[Ca+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ca+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1,Ca.2HNO3,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15487,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.289,ZCCIPPOKBCJFDN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.236,212-359-2,"804-63-7, 6119-70-6",Quinine sulphate,6'-methoxycinchonan-9-ol sulfate (salt),COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O,"InChI=1/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)",C20H24N2O2.1/2H2O4S,,,,,,AKYHKWQPZHDOBW-DSXUQNDKSA-N,,,,,,,,,,,
100.037.470,241-234-5,"12230-71-6, 17194-00-2",Barium hydroxide,barium dihydroxide,[OH-].[OH-].[Ba+2],[OH-].[OH-].[Ba+2],InChI=1/Ba.2H2O/h;2*1H2/q+2;;/p-2,BaH2O2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14609,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.470,RQPZNWPYLFFXCP-UHFFFAOYSA-L,,,,,,,,,,,
100.010.849,211-932-4,"705-86-2, 713-95-1",Dodecan-5-olide,6-heptyltetrahydro-2H-pyran-2-one,CCCCCCCC1CCCC(=O)O1,CCCCCCCC1CCCC(=O)O1,"InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3",C12H22O2,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10645,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.849,QRPLZGZHJABGRS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.023,233-038-3,"10025-73-7, 10060-12-5",Chromium trichloride,-,[Cl-].[Cl-].[Cl-].[Cr+2],[Cl-].[Cl-].[Cl-].[Cr+2],InChI=1/3ClH.Cr/h3*1H;/q;;;+2/p-3,Cl3Cr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10556,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.023,HUQISNLCWMVGCG-UHFFFAOYSA-K,,,,,,,,,,,
100.029.076,231-984-1,"7704-34-9, 7783-20-2",Ammonium sulphate,diammonium sulfate,[NH4+].[NH4+].[O-]S(=O)(=O)[O-],[NH4+].[NH4+].[O-]S(=O)(=O)[O-],"InChI=1/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)",H3N.1/2H2O4S,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15571,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.076,BFNBIHQBYMNNAN-UHFFFAOYSA-N,,,,,,,,,,,
100.006.858,207-542-9,"480-16-0, 654055-01-3","2',3,4',5,7-pentahydroxyflavone","2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one",OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O,"InChI=1/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H",C15H10O7,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16897,https://echa.europa.eu/substance-information/-/substanceinfo/100.006.858,YXOLAZRVSSWPPT-UHFFFAOYSA-N,,,,,,,,,,,
100.041.138,245-268-1,"22856-62-8, 54628-21-6","4,4'-ethylenedi-3-toluidine","4,4'-ethane-1,2-diylbis(3-methylaniline)",Cc1cc(N)ccc1CCc2ccc(N)cc2C,Cc1cc(N)ccc1CCc2ccc(N)cc2C,"InChI=1/C16H20N2/c1-11-9-15(17)7-5-13(11)3-4-14-6-8-16(18)10-12(14)2/h5-10H,3-4,17-18H2,1-2H3",C16H20N2,,,,,,ISESBQNCWCFFFR-UHFFFAOYSA-N,,,,,,,,,,,
100.033.396,236-751-8,"7784-27-2, 13473-90-0",Aluminium nitrate,aluminum trinitrate,[Al+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Al+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Al.3NO3/c;3*2-1(3)4/q+3;3*-1,Al.3HNO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13747,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.396,JLDSOYXADOWAKB-UHFFFAOYSA-N,,,,,,,,,,,
100.004.522,204-972-9,"129-96-4, 5808-22-0","Disodium 4,5-dihydroxynaphthalene-2,7-disulphonate","disodium 4,5-dihydroxynaphthalene-2,7-disulfonate",[Na+].[Na+].Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],[Na+].[Na+].Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1/C10H8O8S2.2Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2",C10H8O8S2.2Na,,,,,,AFGPCIMUGMJQPD-UHFFFAOYSA-L,,,,,,,,,,,
100.028.992,231-891-6,"7775-19-1, 10555-76-7","Sodium metaborate, anhydrous","sodium metaborate, anhydrous",[Na+].[O-]B=O,[Na+].[O-]B=O,InChI=1/BO2.Na/c2-1-3;/q-1;+1,BHO2.Na,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14121,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.992,NVIFVTYDZMXWGX-UHFFFAOYSA-N,,,,,,,,,,,
100.047.058,251-780-6,"33996-33-7, 926905-71-7",Oxaceprol,1-acetyl-4-hydroxy-L-proline,CC(=O)N1C[C@H](O)C[C@H]1C(=O)O,CC(=O)N1C[C@H](O)C[C@H]1C(=O)O,"InChI=1/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)",C7H11NO4,,,,,,BAPRUDZDYCKSOQ-RITPCOANSA-N,,,,,,,,,,,
100.008.284,209-111-0,"555-92-0, 15991-59-0",Coniine hydrochloride,2-propylpiperidine hydrochloride,Cl.CCC[C@H]1CCCCN1,Cl.CCC[C@H]1CCCCN1,"InChI=1/C8H17N.ClH/c1-2-5-8-6-3-4-7-9-8;/h8-9H,2-7H2,1H3;1H",C8H17N.ClH,,,,,,JXBWZNQZRWZJIR-QRPNPIFTSA-N,,,,,,,,,,,
100.029.023,231-926-5,"1335-46-2, 7779-30-8","1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one","1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one",C\\C1=C\\CCC(C)(C)C1C=CC(=O)CC,C\C1=C\CCC(C)(C)C1C=CC(=O)CC,"InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3",C14H22O,,,,,,VPKMGDRERYMTJX-UHFFFAOYSA-N,,,,,,,,,,,
100.021.962,224-157-1,"1577-18-0, 4219-24-3",Hex-3-enoic acid,hex-3-enoic acid,CCC=CCC(O)=O,CCC=CCC(O)=O,"InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)",C6H10O2,,,,,,XXHDAWYDNSXJQM-UHFFFAOYSA-N,,,,,,,,,,,
100.039.818,243-816-4,"20427-84-3, 26027-38-3",2-[2-(4-nonylphenoxy)ethoxy]ethanol,2-[2-(4-nonylphenoxy)ethoxy]ethanol,CCCCCCCCCc1ccc(OCCOCCO)cc1,CCCCCCCCCc1ccc(OCCOCCO)cc1,"InChI=1/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3",C19H32O3,,,,,,BLXVTZPGEOGTGG-UHFFFAOYSA-N,Positive,LIT00004,,,133:529:485,Literature_Specs,,,,,
100.003.807,204-187-1,"117-39-5, 849061-97-8","3,3',4',5,7-pentahydroxyflavone","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one",OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,"InChI=1/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",C15H10O7,,,,,,REFJWTPEDVJJIY-UHFFFAOYSA-N,Positive,ML005401,[M+H]+,HCD50,303.05:229.0498:153.0182,MetaboLights,,,,,
100.006.356,206-990-2,"409-02-9, 81925-81-7",Methylheptenone,6-methylhept-5-en-2-one,C/C(C)=C\\CCC(C)=O,C/C(C)=C\CCC(C)=O,"InChI=1/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",C8H14O,,,,,,UHEPJGULSIKKTP-UHFFFAOYSA-N,,,,,,,,,,,
100.000.526,200-578-6,"64-17-5, 97281-11-3",Ethanol,ethanol,CCO,CCO,"InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3",C2H6O,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16105,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.526,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.113,233-138-7,"10043-27-3, 57584-27-7",Terbium trinitrate,terbium(3+) trinitrate,[Tb+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Tb+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Tb/c3*2-1(3)4;/q3*-1;+3,HNO3.1/3Tb,,,,,,YJVUGDIORBKPLC-UHFFFAOYSA-N,,,,,,,,,,,
100.042.315,246-563-8,"121-00-6, 25013-16-5",tert-butyl-4-methoxyphenol,2-tert-butyl-4-methoxyphenol,COc1ccc(O)c(c1)C(C)(C)C,COc1ccc(O)c(c1)C(C)(C)C,"InChI=1/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",C11H16O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15988,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.315,MRBKEAMVRSLQPH-UHFFFAOYSA-N,,,,,,,,,,,
100.025.293,227-822-4,"5994-45-6, 5995-42-6",Sodium 4-[(octadecylamino)carbonyl]benzoate,sodium 4-(octadecylcarbamoyl)benzoate,[Na+].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-],[Na+].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-],"InChI=1/C26H43NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1",C26H43NO3.Na,,,,,,OFXWMRZFGHOKKH-UHFFFAOYSA-M,,,,,,,,,,,
100.030.741,233-828-8,"10377-66-9, 17141-63-8",Manganese dinitrate,manganese(2+) dinitrate,[Mn+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mn+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Mn.2NO3/c;2*2-1(3)4/q+2;2*-1,HNO3.1/2Mn,Full,Individual,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/7988,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.741,MIVBAHRSNUNMPP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.127,207-838-8,"497-19-8, 6132-02-1, 7440-23-5",Sodium carbonate,disodium carbonate,[Na+].[Na+].[O-]C(=O)[O-],[Na+].[Na+].[O-]C(=O)[O-],"InChI=1/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CH2O3.2Na,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15432,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.127,CDBYLPFSWZWCQE-UHFFFAOYSA-L,,,,,,,,,,,
100.042.880,247-184-0,"25680-58-4, 68739-00-4",2-ethyl-3-methoxypyrazine,2-ethyl-3-methoxypyrazine,CCc1nccnc1OC,CCc1nccnc1OC,"InChI=1/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3",C7H10N2O,,,,,,DPCILIMHENXHQX-UHFFFAOYSA-N,,,,,,,,,,,
100.046.388,251-043-9,"32443-99-5, 207121-46-8",D-cysteine hydrochloride,D-cysteine hydrochloride,Cl.N[C@H](CS)C(=O)O,Cl.N[C@H](CS)C(=O)O,"InChI=1/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H",C3H7NO2S.ClH,,,,,,IFQSXNOEEPCSLW-HSHFZTNMSA-N,,,,,,,,,,,
100.018.397,220-237-5,"284-95-7, 2680-03-7","N,N-dimethylacrylamide","N,N-dimethylacrylamide",CN(C)C(=O)C=C,CN(C)C(=O)C=C,"InChI=1/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3",C5H9NO,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13166,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.397,YLGYACDQVQQZSW-UHFFFAOYSA-N,,,,,,,,,,,
100.036.142,239-773-6,"15686-71-2, 23325-78-2",Cefalexin,7-{[amino(phenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(=O)O,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(=O)O,"InChI=1/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)",C16H17N3O4S,,,,,,ZAIPMKNFIOOWCQ-UEKVPHQBSA-N,,,,,,,,,,,
100.000.026,200-028-5,"50-32-8, 63466-71-7",Benzo[def]chrysene,benzo[pqr]tetraphene,c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,InChI=1/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H,C20H12,,,,,,FMMWHPNWAFZXNH-UHFFFAOYSA-N,,,,,,,,,,,
100.030.870,233-971-6,"10025-70-4, 10476-85-4",Strontium chloride,strontium dichloride,[Cl-].[Cl-].[Sr+2],[Cl-].[Cl-].[Sr+2],InChI=1/2ClH.Sr/h2*1H;/q;;+2/p-2,Cl2Sr,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13496,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.870,AHBGXTDRMVNFER-UHFFFAOYSA-L,,,,,,,,,,,
100.016.327,217-958-2,"2016-88-8, 17440-83-4","N-amidino-3,5-diamino-6-chloropyrazinecarboxamide monohydrochloride","3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide hydrochloride",Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,"InChI=1/C6H8ClN7O.ClH/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h(H4,8,9,13)(H4,10,11,14,15);1H",C6H8ClN7O.ClH,,,,,,ACHKKGDWZVCSNH-UHFFFAOYSA-N,,,,,,,,,,,
100.001.416,201-557-4,"84-74-2, 93952-11-5",Dibutyl phthalate,dibutyl phthalate,CCCCOC(=O)c1ccccc1C(=O)OCCCC,CCCCOC(=O)c1ccccc1C(=O)OCCCC,"InChI=1/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",C16H22O4,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14862,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.416,DOIRQSBPFJWKBE-UHFFFAOYSA-N,Positive/Negative,SM822401;EQ367001|EQ367002|EQ367003|EQ367004|EQ367005|EQ367006|EQ367007|EQ367008|EQ367009;UF418001|UF418002|UF418003|UF418004,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD55|HCD80|CID35|CID55,149.0234:205.0861:57.0701;149.0235:205.0862:57.0699|149.0234:57.0699:65.0385|149.0235:57.0699:121.0285|149.0235:121.0285:57.0699|149.0235:121.0285:65.0386|65.0386:149.0235:121.0286|65.0386:121.0398:121.0285|65.0386:53.0023:121.0398|65.0387:53.0023:53.9975;149.0238:121.029|149.0239:121.0288|149.0239:205.0867:203.06|149.0238:205.0867:203.0598,CASMI_2016;Eawag;UFZ,EQ367051|EQ367052|EQ367053|EQ367054|EQ367055|EQ367056|EQ367057|EQ367058|EQ367059,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,277.1448:134.0375:127.113|134.0375:127.113:121.0297|134.0375:127.113:121.0297|127.113:121.0297:134.0375|75.0242:121.0297:127.113|75.0242:121.0297:127.113|75.0242:121.0295|75.0241|75.0242,Eawag
100.005.677,206-243-0,"314-19-2, 41372-20-7",Apomorphine hydrochloride,"bis(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol) dihydrochloride hydrate",O.Cl.Cl.CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34.CN5CCc6cccc7c6[C@H]5Cc8ccc(O)c(O)c78,O.Cl.Cl.CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34.CN5CCc6cccc7c6[C@H]5Cc8ccc(O)c(O)c78,"InChI=1/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2",C17H17NO2.ClH,,,,,,CXWQXGNFZLHLHQ-DPFCLETOSA-N,,,,,,,,,,,
100.019.853,221-838-5,"3251-23-8, 10031-43-3",Copper dinitrate,copper(2+) dinitrate,[Cu+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O,[Cu+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O,InChI=1/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1,Cu.2HNO3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14299,https://echa.europa.eu/substance-information/-/substanceinfo/100.019.853,XTVVROIMIGLXTD-UHFFFAOYSA-N,,,,,,,,,,,
100.007.270,207-996-8,"504-61-0, 6117-91-5",(E)-2-buten-1-ol,but-2-en-1-ol,C\\C=C\\CO,C\C=C\CO,"InChI=1/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3",C4H8O,,,,,,WCASXYBKJHWFMY-NSCUHMNNSA-N,,,,,,,,,,,
100.029.285,232-213-1,"7790-58-1, 123333-66-4",Dipotassium trioxotellurate,dipotassium trioxotellurate,[K+].[K+].O=[Te-2](=O)=O,[K+].[K+].O=[Te-2](=O)=O,InChI=1/2K.O3Te/c;;1-4(2)3/q2*+1;-2,H2O3Te.2K,,,,,,URSKSBFABASZIG-UHFFFAOYSA-N,,,,,,,,,,,
100.038.092,241-917-8,"14252-80-3, 18010-40-7, 73360-54-0",Bupivacaine hydrochloride,"1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride hydrate",O.Cl.CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C,O.Cl.CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C,"InChI=1/C18H28N2O.ClH.H2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H;1H2",C18H28N2O.ClH,,,,,,HUCIWBPMHXGLFM-UHFFFAOYSA-N,,,,,,,,,,,
100.029.186,232-104-9,"7786-81-4, 10101-97-0, 10101-98-1",Nickel sulphate,nickel(2+) sulfate,[Ni+2].[O-]S(=O)(=O)[O-],[Ni+2].[O-]S(=O)(=O)[O-],"InChI=1/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",H2O4S.Ni,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15304,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.186,LGQLOGILCSXPEA-UHFFFAOYSA-L,,,,,,,,,,,
100.025.252,227-777-0,"111-87-5, 5978-70-1",L-octan-2-ol,octan-2-ol,CCCCCCC(C)O,CCCCCCC(C)O,"InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",C8H18O,,,,,,SJWFXCIHNDVPSH-UHFFFAOYSA-N,,,,,,,,,,,
100.005.099,205-608-1,"143-71-5, 34195-34-1",Hydrocodone hydrogen tartrate,"3-methoxy-17-methyl-4,5-epoxymorphinan-6-one 2,3-dihydroxysuccinate (salt)",COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C.OC(C(O)C(=O)O)C(=O)O,COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C.OC(C(O)C(=O)O)C(=O)O,"InChI=1/C18H21NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)",C18H21NO3.C4H6O6,,,,,,OJHZNMVJJKMFGX-RNWHKREASA-N,,,,,,,,,,,
100.033.899,237-305-5,"13734-34-4, 18942-49-9",N-(tert-butoxycarbonyl)-L-phenylalanine,N-(tert-butoxycarbonyl)-L-phenylalanine,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O,"InChI=1/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)",C14H19NO4,,,,,,ZYJPUMXJBDHSIF-NSHDSACASA-N,,,,,,,,,,,
100.043.530,247-899-8,"26680-54-6, 42482-06-4","Dihydro-3-(octenyl)furan-2,5-dione","3-oct-1-en-1-yldihydrofuran-2,5-dione",O=C1OC(=O)CC1C=CCCCCCC,O=C1OC(=O)CC1C=CCCCCCC,"InChI=1/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h7-8,10H,2-6,9H2,1H3",C12H18O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5481,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.530,FLISWPFVWWWNNP-UHFFFAOYSA-N,,,,,,,,,,,
100.007.472,208-217-4,"516-03-0, 6047-25-2",Iron(II) oxalate,"[ethanedioato(2-)-kappa~2~O~1~,O~2~]iron",O=C1O[Fe]OC1=O,O=C1O[Fe]OC1=O,"InChI=1/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",C2H2O4.Fe,,,,,,OWZIYWAUNZMLRT-UHFFFAOYSA-L,,,,,,,,,,,
100.005.228,205-749-9,"149-91-7, 5995-86-8","3,4,5-trihydroxybenzoic acid","3,4,5-trihydroxybenzoic acid",OC(=O)c1cc(O)c(O)c(O)c1,OC(=O)c1cc(O)c(O)c(O)c1,"InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",C7H6O5,,,,,,LNTHITQWFMADLM-UHFFFAOYSA-N,,,,,,,,,,,
100.007.426,208-167-3,"513-77-9, 7440-39-3",Barium carbonate,barium carbonate,[Ba+2].[O-]C(=O)[O-],[Ba+2].[O-]C(=O)[O-],"InChI=1/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",CH2O3.Ba,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15337,https://echa.europa.eu/substance-information/-/substanceinfo/100.007.426,AYJRCSIUFZENHW-UHFFFAOYSA-L,,,,,,,,,,,
100.009.897,210-886-2,"625-30-9, 63493-28-7",1-methylbutylamine,pentan-2-amine,CCCC(C)N,CCCC(C)N,"InChI=1/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3",C5H13N,,,,,,IGEIPFLJVCPEKU-UHFFFAOYSA-N,,,,,,,,,,,
100.029.079,231-987-8,"7783-28-0, 14265-44-2",Diammonium hydrogenorthophosphate,diammonium hydrogen phosphate,[NH4+].[NH4+].OP(=O)([O-])[O-],[NH4+].[NH4+].OP(=O)([O-])[O-],"InChI=1/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)",H3N.1/2H3O4P,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15555,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.079,MNNHAPBLZZVQHP-UHFFFAOYSA-N,,,,,,,,,,,
100.025.494,228-043-2,"6094-60-6, 71617-20-4",1-benzyl-4-hydroxypiperidine-4-carbonitrile,1-benzyl-4-hydroxypiperidine-4-carbonitrile,OC1(CCN(Cc2ccccc2)CC1)C#N,OC1(CCN(Cc2ccccc2)CC1)C#N,"InChI=1/C13H16N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-10H2",C13H16N2O,,,,,,XQRLXUYZKZXSBN-UHFFFAOYSA-N,,,,,,,,,,,
100.003.339,203-672-5,"109-43-3, 7474-78-4",Dibutyl sebacate,dibutyl sebacate,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,"InChI=1/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3",C18H34O4,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16127,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.339,PYGXAGIECVVIOZ-UHFFFAOYSA-N,,,,,,,,,,,
100.035.727,239-317-6,"283-56-7, 15277-97-1","[[2,2',2''-nitrilotris[ethanolato]](3-)-N,O,O',O'']boron","2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane",C1CN2CCOB(OCC2)O1,C1CN2CCOB(OCC2)O1,InChI=1/C6H12BNO3/c1-4-9-7-10-5-2-8(1)3-6-11-7/h1-6H2,C6H12BNO3,,,,,,NKPKVNRBHXOADG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.389,236-743-4,"10213-10-2, 13472-45-2",Disodium wolframate,disodium dioxido(dioxo)tungsten,[Na+].[Na+].[O-][W](=O)(=O)[O-],[Na+].[Na+].[O-][W](=O)(=O)[O-],"InChI=1/2Na.4O.W/q2*+1;;;2*-1;/r2Na.O4W/c;;1-5(2,3)4/q2*+1;-2",Na.1/2O4W,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12708,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.389,XMVONEAAOPAGAO-UHFFFAOYSA-N,,,,,,,,,,,
100.012.975,214-272-5,"1118-92-9, 14433-76-2","N,N-dimethyloctanamide","N,N-dimethyloctanamide",CCCCCCCC(=O)N(C)C,CCCCCCCC(=O)N(C)C,"InChI=1/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3",C10H21NO,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12187,https://echa.europa.eu/substance-information/-/substanceinfo/100.012.975,VHRUBWHAOUIMDW-UHFFFAOYSA-N,,,,,,,,,,,
100.045.612,250-189-0,"30418-59-8, 206658-89-1",(m-aminophenyl)metaboric acid,(3-aminophenyl)boronic acid,Nc1cccc(c1)B(O)O,Nc1cccc(c1)B(O)O,"InChI=1/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2",C6H8BNO2,,,,,,JMZFEHDNIAQMNB-UHFFFAOYSA-N,,,,,,,,,,,
100.070.888,278-000-7,"74240-65-6, 74800-54-7","4-(5-butyl-1,3-dioxan-2-yl)benzonitrile","4-(5-butyl-1,3-dioxan-2-yl)benzonitrile",CCCCC1COC(OC1)c2ccc(cc2)C#N,CCCCC1COC(OC1)c2ccc(cc2)C#N,"InChI=1/C15H19NO2/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,13,15H,2-4,10-11H2,1H3",C15H19NO2,,,,,,ZCZHIMLDHBRGMF-UHFFFAOYSA-N,,,,,,,,,,,
100.025.284,227-813-5,"5989-27-5, 68606-81-5","(R)-p-mentha-1,8-diene",4-isopropenyl-1-methylcyclohexene,CC(=C)[C@@H]1CCC(=CC1)C,CC(=C)[C@@H]1CCC(=CC1)C,"InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",C10H16,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15256,https://echa.europa.eu/substance-information/-/substanceinfo/100.025.284,XMGQYMWWDOXHJM-JTQLQIEISA-N,,,,,,,,,,,
100.014.160,215-575-5,"1332-77-0, 12045-78-2",Dipotassium tetraborate,dipotassium tetraborate,[K+].[K+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[K+].[K+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/4BO3.2K/c4*2-1(3)4;;/q4*-3;2*+1,B4K2O7,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14283,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.160,FYGRFHFZCWFMAG-UHFFFAOYSA-N,,,,,,,,,,,
100.035.400,238-956-8,"775-01-9, 14883-87-5","(±)-3,4-dihydroxyphenylglycolic acid","(3,4-dihydroxyphenyl)(hydroxy)acetic acid",OC(C(=O)O)c1ccc(O)c(O)c1,OC(C(=O)O)c1ccc(O)c(O)c1,"InChI=1/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)",C8H8O5,,,,,,RGHMISIYKIHAJW-UHFFFAOYSA-N,,,,,,,,,,,
100.028.373,231-210-2,"7447-39-4, 10125-13-0",Copper dichloride,copper(2+) dichloride,[Cu+2].[Cl-].[Cl-],[Cu+2].[Cl-].[Cl-],InChI=1/2ClH.Cu/h2*1H;/q;;+2/p-2,Cl2Cu,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14831,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.373,ORTQZVOHEJQUHG-UHFFFAOYSA-L,,,,,,,,,,,
100.043.079,247-404-5,"26002-80-2, 188023-86-1",3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate,"3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,"InChI=1/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3",C23H26O3,,,,,,SBNFWQZLDJGRLK-UHFFFAOYSA-N,,,,,,,,,,,
100.008.239,209-062-5,"554-13-2, 7439-93-2",Lithium carbonate,dilithium carbonate,[Li+].[Li+].[O-]C(=O)[O-],[Li+].[Li+].[O-]C(=O)[O-],"InChI=1/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CH2O3.2Li,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15034,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.239,XGZVUEUWXADBQD-UHFFFAOYSA-L,,,,,,,,,,,
100.043.382,247-737-6,"106-22-9, 26489-01-0","(±)-3,7-dimethyloct-6-en-1-ol","3,7-dimethyloct-6-en-1-ol",CC(CCO)CCC=C(C)C,CC(CCO)CCC=C(C)C,"InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",C10H20O,,,,,,QMVPMAAFGQKVCJ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.240,232-164-6,"7789-41-5, 71626-99-8",Calcium bromide,calcium dibromide,[Ca+2].[Br-].[Br-],[Ca+2].[Br-].[Br-],InChI=1/2BrH.Ca/h2*1H;/q;;+2/p-2,Br2Ca,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13538,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.240,WGEFECGEFUFIQW-UHFFFAOYSA-L,,,,,,,,,,,
100.030.126,233-152-3,"7783-34-8, 10045-94-0",Mercury dinitrate,mercury dinitrate,[Hg+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Hg+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Hg.2NO3/c;2*2-1(3)4/q+2;2*-1,HNO3.1/2Hg,,,,,,ORMNPSYMZOGSSV-UHFFFAOYSA-N,,,,,,,,,,,
100.000.035,200-037-4,"50-44-2, 6112-76-1",Mercaptopurine,"3,9-dihydro-6H-purine-6-thione",S=C1/N=C\\Nc2ncnc12,S=C1/N=C\Nc2ncnc12,"InChI=1/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",C5H4N4S,,,,,,GLVAUDGFNGKCSF-UHFFFAOYSA-N,,,,,,,,,,,
100.030.235,233-273-1,"7440-28-0, 10102-45-1",Thallium nitrate,thallium(1+) nitrate,[Tl+].[O-][N+](=O)[O-],[Tl+].[O-][N+](=O)[O-],InChI=1/NO3.Tl/c2-1(3)4;/q-1;+1,HNO3.Tl,,,,,,FYWSTUCDSVYLPV-UHFFFAOYSA-N,,,,,,,,,,,
100.009.076,209-982-7,"116-53-0, 600-07-7",(±)-2-methylbutyric acid,2-methylbutanoic acid,CCC(C)C(=O)O,CCC(C)C(=O)O,"InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",C5H10O2,,,,,,WLAMNBDJUVNPJU-UHFFFAOYSA-N,,,,,,,,,,,
100.044.542,249-013-5,"28434-00-6, 84030-86-4, 260359-57-7","3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3ß]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","3-allyl-2-methyl-4-oxocyclopent-1-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=C[C@@H]1C(C(=O)OC2=C(C)C(CC=C)C(=O)C2)C1(C)C)C,CC(=C[C@@H]1C(C(=O)OC2=C(C)C(CC=C)C(=O)C2)C1(C)C)C,"InChI=1/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,13-14,17H,1,8,10H2,2-6H3",C19H26O3,,,,,,XAHOQOGEXLHZKP-XOYHFGRZSA-N,,,,,,,,,,,
100.000.614,200-675-3,"68-04-2, 6132-04-3",Trisodium citrate,trisodium citrate,[Na+].[Na+].[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[Na+].[Na+].[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",C6H8O7.3Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15303,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.614,HRXKRNGNAMMEHJ-UHFFFAOYSA-K,,,,,,,,,,,
100.014.226,215-648-1,"1336-36-3, 34883-43-7, 35065-27-1, 52663-63-5","1,1'-Biphenyl, chloro derivs.","3,3',4,4',5,5'-hexachlorobiphenyl",Clc1cc(cc(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2,Clc1cc(cc(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2,InChI=1/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H,-,,,,,,ZHLICBPIXDOFFG-UHFFFAOYSA-N,,,,,,,,,,,
100.033.550,236-921-1,"7789-02-8, 13548-38-4",Chromium trinitrate,-,[Cr+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Cr+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Cr.3NO3/c;3*2-1(3)4/q+2;3*-1,Cr.3HNO3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13746,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.550,BXWGVGRRIQRLLZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.255,200-280-6,"56-55-3, 1718-53-2",Benz[a]anthracene,tetraphene,c1ccc2cc3c(ccc4ccccc34)cc2c1,c1ccc2cc3c(ccc4ccccc34)cc2c1,InChI=1/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H,C18H12,,,,,,DXBHBZVCASKNBY-UHFFFAOYSA-N,,,,,,,,,,,
100.028.717,231-588-9,"7646-78-8, 10026-06-9",Tin tetrachloride,tin(4+) tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4],[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4],InChI=1/4ClH.Sn/h4*1H;/q;;;;+4/p-4,Cl4Sn,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14578,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.717,HPGGPRDJHPYFRM-UHFFFAOYSA-J,,,,,,,,,,,
100.033.453,236-815-5,"13494-90-1, 69365-72-6",Gallium trinitrate,gallium trinitrate,[Ga+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ga+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1,Ga.3HNO3,,,,,,CHPZKNULDCNCBW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.425,200-467-2,"60-29-7, 100-41-4",Diethyl ether,"1,1'-oxydiethane",CCOCC,CCOCC,"InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",C4H10O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14887,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.425,RTZKZFJDLAIYFH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.022,200-023-8,"50-28-2, 35380-71-3",Estradiol,"estra-1,3,5(10)-triene-3,17-diol",C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,"InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3",C18H24O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/1903,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.022,VOXZDWNPVJITMN-ZBRFXRBCSA-N,,,,,,,,,,,
100.028.126,230-938-8,"6381-77-7, 7378-23-6","Isoascorbic acid, sodium salt","sodium 2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethanolate (non-preferred name)",[Na+].O[C@H](C[O-])[C@H]1OC(=O)C(=C1O)O,[Na+].O[C@H](C[O-])[C@H]1OC(=O)C(=C1O)O,"InChI=1/C6H7O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,8-10H,1H2;/q-1;+1",C6H8O6.xNa,,,,,,RBWSWDPRDBEWCR-RKJRWTFHSA-N,,,,,,,,,,,
100.000.187,200-205-7,"54-35-3, 6130-64-9",Procaine penicillin,"3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - 2-(diethylamino)ethyl 4-aminobenzoate (1:1) hydrate",O.CCN(CC)CCOC(=O)c1ccc(N)cc1.CC2(C)S[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]2C(=O)O,O.CCN(CC)CCOC(=O)c1ccc(N)cc1.CC2(C)S[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]2C(=O)O,"InChI=1/C16H18N2O4S.C13H20N2O2.H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2",C16H18N2O4S.C13H20N2O2,,,,,,KZDCMKVLEYCGQX-UDPGNSCCSA-N,,,,,,,,,,,
100.067.809,274-613-9,"70458-95-6, 149676-40-4","3-carboxy-1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline monomethanesulphonate","1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate",CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3.CS(=O)(=O)O,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3.CS(=O)(=O)O,"InChI=1/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)",C17H20FN3O3.CH4O3S,,,,,,HQQSBEDKMRHYME-UHFFFAOYSA-N,,,,,,,,,,,
100.005.179,205-696-1,"147-73-9, 5990-63-6",Mesotartaric acid,tartaric acid,O[C@H]([C@H](O)C(=O)O)C(=O)O,O[C@H]([C@H](O)C(=O)O)C(=O)O,"InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",C4H6O6,,,,,,FEWJPZIEWOKRBE-XIXRPRMCSA-N,,,,,,,,,,,
100.000.125,200-136-2,"52-26-6, 6055-06-7",Morphine hydrochloride,"17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride",Cl.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,Cl.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35,"InChI=1/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H",C17H19NO3.ClH,,,,,,XCKKIKBIPZJUET-VYKNHSEDSA-N,,,,,,,,,,,
100.008.677,209-542-4,"584-79-2, 231937-89-6",Allethrin,"3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate",CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C)C,CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C)C,"InChI=1/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3",C19H26O3,,,,,,ZCVAOQKBXKSDMS-UHFFFAOYSA-N,,,,,,,,,,,
100.023.339,225-672-4,"2746-81-8, 5002-47-1",Fluphenazine O-decanoate,2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate,CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,"InChI=1/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3",C32H44F3N3O2S,,,,,,VIQCGTZFEYDQMR-UHFFFAOYSA-N,,,,,,,,,,,
100.020.396,222-434-1,"3469-69-0, 71759-89-2",4-iodo-1H-pyrazole,4-iodo-1H-pyrazole,Ic1cn[nH]c1,Ic1cn[nH]c1,"InChI=1/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)",C3H3IN2,,,,,,LLNQWPTUJJYTTE-UHFFFAOYSA-N,,,,,,,,,,,
100.012.912,214-202-3,"1113-38-8, 6009-70-7",Diammonium oxalate,diammonium oxalate,[NH4+].[NH4+].[O-]C(=O)C(=O)[O-],[NH4+].[NH4+].[O-]C(=O)C(=O)[O-],"InChI=1/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3",C2H2O4.2H3N,,,,,,VBIXEXWLHSRNKB-UHFFFAOYSA-N,,,,,,,,,,,
100.003.682,204-050-6,"114-49-8, 6533-68-2",Hyoscine hydrobromide,"9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate hydrobromide",Br.CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,Br.CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4,"InChI=1/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H",C17H21NO4.BrH,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7232,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.682,WTGQALLALWYDJH-MOUKNHLCSA-N,,,,,,,,,,,
100.028.699,231-569-5,"692-39-7, 7637-07-2",Boron trifluoride,boron trifluoride,[F-].[F-].[F-].[BH6+3],[F-].[F-].[F-].[BH6+3],InChI=1/BH3.3FH/h1H3;3*1H/q+3;;;/p-3,BF3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5175,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.699,YADBIKIATJGHLZ-UHFFFAOYSA-K,,,,,,,,,,,
100.023.881,226-269-6,"591-01-5, 5338-16-9",Amidinouronium hydrogen sulphate,amino-N-[amino(hydroxy)methylene]iminomethanaminium hydrogen sulfate,NC(=[NH+]C(=N)N)O.[O-]S(=O)(=O)[O-],NC(=[NH+]C(=N)N)O.[O-]S(=O)(=O)[O-],"InChI=1/C2H6N4O.H2O4S/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H2,1,2,3,4)/p-1",C2H6N4O.H2O4S,,,,,,SQRSGVMGWSKZTQ-UHFFFAOYSA-M,,,,,,,,,,,
100.018.684,220-552-8,"64-18-6, 2809-21-4",Etidronic acid,"(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)",CC(O)(P(=O)(O)O)P(=O)(O)O,CC(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",C2H8O7P2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16011,https://echa.europa.eu/substance-information/-/substanceinfo/100.018.684,DBVJJBKOTRCVKF-UHFFFAOYSA-N,,,,,,,,,,,
100.011.397,212-536-4,"824-78-2, 66924-59-2",Sodium 4-nitrophenolate,sodium 4-nitrophenolate,[Na+].[O-]c1ccc(cc1)[N+](=O)[O-],[Na+].[O-]c1ccc(cc1)[N+](=O)[O-],"InChI=1/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1",C6H5NO3.Na,,,,,,CURNJKLCYZZBNJ-UHFFFAOYSA-M,,,,,,,,,,,
100.005.723,206-293-3,"321-98-2, 144429-10-7",2-methylamino-1-phenylpropan-1-ol,2-(methylamino)-1-phenylpropan-1-ol,CNC(C)C(O)c1ccccc1,CNC(C)C(O)c1ccccc1,"InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3",C10H15NO,,,,,,KWGRBVOPPLSCSI-UHFFFAOYSA-N,,,,,,,,,,,
100.028.787,231-665-7,"7681-38-1, 10034-88-5",Sodium hydrogensulphate,sodium hydrogen sulfate,[Na+].OS(=O)(=O)[O-],[Na+].OS(=O)(=O)[O-],"InChI=1/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",H2O4S.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14458,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.787,WBHQBSYUUJJSRZ-UHFFFAOYSA-M,,,,,,,,,,,
100.000.202,200-221-4,"55-03-8, 6106-07-6",Levothyroxine sodium,"sodium 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate",[Na+].[O-]C(=O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2,[Na+].[O-]C(=O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2,"InChI=1/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1",C15H11I4NO4.Na,,,,,,YDTFRJLNMPSCFM-YDALLXLXSA-M,,,,,,,,,,,
100.000.973,201-069-1,"77-92-9, 5949-29-1",Citric acid,citric acid,OC(=O)CC(O)(CC(=O)O)C(=O)O,OC(=O)CC(O)(CC(=O)O)C(=O)O,"InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",C6H8O7,Full,Joint,100000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15451,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.973,KRKNYBCHXYNGOX-UHFFFAOYSA-N,,,,,,,,,,,
100.043.885,248-289-4,"27176-87-0, 68584-22-5",Dodecylbenzenesulphonic acid,2-dodecylbenzenesulfonic acid,OS(=O)(=O)c1ccccc1CCCCCCCCCCCC,OS(=O)(=O)c1ccccc1CCCCCCCCCCCC,"InChI=1/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",C18H30O3S,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11796,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.885,WBIQQQGBSDOWNP-UHFFFAOYSA-N,,,,,,,,,,,
100.037.144,240-875-8,"16851-56-2, 78348-24-0",(±)-indoline-2-carboxylic acid,indoline-2-carboxylic acid,OC(=O)C1Cc2ccccc2N1,OC(=O)C1Cc2ccccc2N1,"InChI=1/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)",C9H9NO2,,,,,,QNRXNRGSOJZINA-UHFFFAOYSA-N,,,,,,,,,,,
100.007.869,208-654-0,"537-00-8, 206996-60-3",Cerium(3+) acetate,cerium(3+) triacetate,[Ce+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],[Ce+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-],"InChI=1/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",C2H4O2.1/3Ce,,,,,,VGBWDOLBWVJTRZ-UHFFFAOYSA-K,,,,,,,,,,,
100.000.731,200-803-8,"73-78-9, 6108-05-0",Lidocaine hydrochloride,"N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide hydrochloride",Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C,Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C,"InChI=1/C14H22N2O.ClH/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H",C14H22N2O.ClH,,,,,,IYBQHJMYDGVZRY-UHFFFAOYSA-N,,,,,,,,,,,
100.037.346,241-097-1,"17026-42-5, 80822-15-7","[S-(R*,R*)]-2,3-bis(benzoyloxy)succinic acid","2,3-bis(benzoyloxy)succinic acid",OC(=O)C(OC(=O)c1ccccc1)C(OC(=O)c2ccccc2)C(=O)O,OC(=O)C(OC(=O)c1ccccc1)C(OC(=O)c2ccccc2)C(=O)O,"InChI=1/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)",C18H14O8,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17914,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.346,YONLFQNRGZXBBF-UHFFFAOYSA-N,,,,,,,,,,,
100.032.767,236-060-1,"7440-17-7, 13126-12-0",Rubidium nitrate,rubidium nitrate,[Rb+].[O-][N+](=O)[O-],[Rb+].[O-][N+](=O)[O-],InChI=1/NO3.Rb/c2-1(3)4;/q-1;+1,HNO3.Rb,,,,,,RTHYXYOJKHGZJT-UHFFFAOYSA-N,,,,,,,,,,,
100.044.565,249-038-1,"10580-19-5, 28469-73-0",Sodium p-hydroxybenzenesulphonate,sodium 4-hydroxybenzenesulfonate,[Na+].Oc1ccc(cc1)S(=O)(=O)[O-],[Na+].Oc1ccc(cc1)S(=O)(=O)[O-],"InChI=1/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1",C6H6O4S.xNa,,,,,,BYMHXIQVEAYSJD-UHFFFAOYSA-M,,,,,,,,,,,
100.000.278,200-306-6,"57-00-1, 6020-87-7",N-amidinosarcosine,N-carbamimidoyl-N-methylglycine,CN(CC(=O)O)C(=N)N,CN(CC(=O)O)C(=N)N,"InChI=1/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)",C4H9N3O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12796,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.278,CVSVTCORWBXHQV-UHFFFAOYSA-N,,,,,,,,,,,
100.038.189,242-024-6,"15707-34-3, 18138-04-0","2,3-diethyl-5-methylpyrazine","2,3-diethyl-5-methylpyrazine",CCc1ncc(C)nc1CC,CCc1ncc(C)nc1CC,"InChI=1/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3",C9H14N2,,,,,,PSINWXIDJYEXLO-UHFFFAOYSA-N,,,,,,,,,,,
100.015.536,217-089-9,"1738-02-9, 68504-35-8","3,6-bis(o-sulphophenylazo)-4,5-dihydroxynaphthalene-2,7-disulphonic acid","4,5-dihydroxy-3,6-bis[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",OS(=O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccccc2S(O)(=O)=O)c3O)S(O)(=O)=O,OS(=O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccccc2S(O)(=O)=O)c3O)S(O)(=O)=O,"InChI=1/C22H16N4O14S4/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)",C22H16N4O14S4,,,,,,ILROUJLNAZOVJV-UHFFFAOYSA-N,,,,,,,,,,,
100.028.926,231-818-8,"7440-09-7, 7757-79-1",Potassium nitrate,potassium nitrate,[K+].[O-][N+](=O)[O-],[K+].[O-][N+](=O)[O-],InChI=1/K.NO3/c;2-1(3)4/q+1;-1,HNO3.K,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15481,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.926,FGIUAXJPYTZDNR-UHFFFAOYSA-N,,,,,,,,,,,
100.012.905,214-195-7,"1112-67-0, 37451-68-6",Tetrabutylammonium chloride,"N,N,N-tributylbutan-1-aminium chloride",[Cl-].CCCC[N+](CCCC)(CCCC)CCCC,[Cl-].CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",C16H36N.Cl,,,,,,NHGXDBSUJJNIRV-UHFFFAOYSA-M,,,,,,,,,,,
100.051.397,256-555-6,"50370-12-2, 66592-87-8",Cefadroxil,7-{[2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,O=C3N1/C(=C(/C)CS[C@@H]1[C@@H]3/N=C(/O)[C@H](N)c2ccc(O)cc2)C(O)=O,O=C3N1/C(=C(/C)CS[C@@H]1[C@@H]3/N=C(/O)[C@H](N)c2ccc(O)cc2)C(O)=O,"InChI=1/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)",C16H17N3O5S,,,,,,BOEGTKLJZSQCCD-UEKVPHQBSA-N,,,,,,,,,,,
100.027.849,230-634-5,"7232-21-5, 54143-57-6",4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide monohydrochloride,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride,Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,"InChI=1/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H",C14H22ClN3O2.ClH,,,,,,RVFUNJWWXKCWNS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.154,206-769-0,"373-68-2, 17787-40-5",Tetramethylammonium fluoride tetrahydrate,"N,N,N-trimethylmethanaminium fluoride tetrahydrate",O.O.O.O.[F-].C[N+](C)(C)C,O.O.O.O.[F-].C[N+](C)(C)C,"InChI=1/C4H12N.FH.4H2O/c1-5(2,3)4;;;;;/h1-4H3;1H;4*1H2/q+1;;;;;/p-1",C4H12N.F,,,,,,HQFTZNVQVRRDLN-UHFFFAOYSA-M,,,,,,,,,,,
100.000.522,200-573-9,"64-02-8, 10378-23-1",Tetrasodium ethylenediaminetetraacetate,"tetrasodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.4Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/p-4",C10H16N2O8.4Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15231,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.522,UEUXEKPTXMALOB-UHFFFAOYSA-J,,,,,,,,,,,
100.041.661,245-843-7,"23726-92-3, 35044-68-9","(Z)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one","1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one",C\\C=C/C(=O)C1=C(C)CCCC1(C)C,C\C=C/C(=O)C1=C(C)CCCC1(C)C,"InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3",C13H20O,,,,,,BGTBFNDXYDYBEY-ALCCZGGFSA-N,,,,,,,,,,,
100.013.804,215-183-4,"1310-65-2, 1310-66-3",Lithium hydroxide,lithium hydroxide,[Li+].[OH-],[Li+].[OH-],InChI=1/Li.H2O/h;1H2/q+1;/p-1,HLiO,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14855,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.804,WMFOQBRAJBCJND-UHFFFAOYSA-M,,,,,,,,,,,
100.013.839,215-222-5,"1314-13-2, 7440-66-6",Zinc oxide,oxozinc,O=[Zn],O=[Zn],InChI=1/O.Zn/rOZn/c1-2,OZn,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16139,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.839,XLOMVQKBTHCTTD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.259,200-284-8,"56-69-9, 80-49-9",5-hydroxytryptophan,5-hydroxytryptophan,NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,"InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",C11H12N2O3,,,,,,LDCYZAJDBXYCGN-UHFFFAOYSA-N,,,,,,,,,,,
100.004.481,204-927-3,"129-00-0, 1718-52-1",Pyrene,pyrene,c1cc2ccc3cccc4ccc(c1)c2c34,c1cc2ccc3cccc4ccc(c1)c2c34,InChI=1/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H,C16H10,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12145,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.481,BBEAQIROQSPTKN-UHFFFAOYSA-N,,,,,,,,,,,
100.001.103,201-212-8,"79-57-2, 6153-64-6",Oxytetracycline,"4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O,CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O,"InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)",C22H24N2O9,,,,,,IWVCMVBTMGNXQD-PXOLEDIWSA-N,Positive/Negative,mzcloud:1254,[M+H]+;[M+Na]+,HCD_Averaged,444.1289:443.1449:426.1183:408.1078:381.0605:365.0656:350.0421:337.0706:283.0601:268.0366:226.07100:201.05464:154.04986:145.06479:98.0600:58.0651,HighChem,mzcloud:1254,[M-H]-,HCD_Averaged,442.1144:416.1351:415.1511:374.1246:289.07176:267.0663:253.0506:201.0557:173.0608:161.02442:142.01457:135.04515,HighChem
100.004.872,205-358-3,"139-33-3, 6381-92-6",Disodium dihydrogen ethylenediaminetetraacetate,"disodium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[H+].[H+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O,[H+].[H+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O,"InChI=1/C10H16N2O8.2Na.2H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H/q;4*+1/p-4",C10H16N2O8.2Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14817,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.872,ZGTMUACCHSMWAC-UHFFFAOYSA-L,,,,,,,,,,,
100.034.919,238-428-7,"14448-67-0, 149022-15-1",3-methylbenzothiazol-2(3H)-one hydrazone hydrochloride,"2-hydrazono-3-methyl-2,3-dihydro-1,3-benzothiazole hydrochloride",Cl.CN1c2ccccc2SC1=NN,Cl.CN1c2ccccc2SC1=NN,"InChI=1/C8H9N3S.ClH/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;/h2-5H,9H2,1H3;1H",C8H9N3S.xClH,,,,,,OEZPVSPULCMUQB-UHFFFAOYSA-N,,,,,,,,,,,
100.063.590,269-970-2,"68398-18-5, 154171-76-3","4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane","4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane",CC1CCC2CC1SC2(C)C,CC1CCC2CC1SC2(C)C,"InChI=1/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3",C10H18S,,,,,,FAXNZPOZWCWYBD-UHFFFAOYSA-N,,,,,,,,,,,
100.002.324,202-555-6,"97-05-2, 5965-83-3",5-sulphosalicylic acid,2-hydroxy-5-sulfobenzoic acid,OC(=O)c1cc(ccc1O)S(=O)(=O)O,OC(=O)c1cc(ccc1O)S(=O)(=O)O,"InChI=1/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)",C7H6O6S,,,,,,YCPXWRQRBFJBPZ-UHFFFAOYSA-N,,,,,,,,,,,
100.048.726,253-617-4,"37677-14-8, 52475-89-5",4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde,4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde,CC(=CCCC1=CCC(CC1)C=O)C,CC(=CCCC1=CCC(CC1)C=O)C,"InChI=1/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3",C13H20O,,,,,,MQBIZQLCHSZBOI-UHFFFAOYSA-N,,,,,,,,,,,
100.040.304,244-350-4,"76-22-2, 21368-68-3",DL-bornan-2-one,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C)C2CCC1(C)C(=O)C2,CC1(C)C2CCC1(C)C(=O)C2,"InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",C10H16O,,,,,,DSSYKIVIOFKYAU-UHFFFAOYSA-N,,,,,,,,,,,
100.026.685,229-353-0,"5949-29-1, 6485-55-8","cis-2,6-dimethylmorpholine","2,6-dimethylmorpholine",C[C@@H]1CNC[C@H](C)O1,C[C@@H]1CNC[C@H](C)O1,"InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3",C6H13NO,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/12344,https://echa.europa.eu/substance-information/-/substanceinfo/100.026.685,HNVIQLPOGUDBSU-OLQVQODUSA-N,,,,,,,,,,,
100.029.224,232-146-8,"7440-46-2, 7789-18-6",Caesium nitrate,caesium nitrate,[Cs+].[O-][N+](=O)[O-],[Cs+].[O-][N+](=O)[O-],InChI=1/Cs.NO3/c;2-1(3)4/q+1;-1,Cs.HNO3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10615,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.224,NLSCHDZTHVNDCP-UHFFFAOYSA-N,,,,,,,,,,,
100.049.829,254-831-0,"40188-45-2, 79902-63-9",N-(3-acetyl-4-hydroxyphenyl)butyramide,N-(3-acetyl-4-hydroxyphenyl)butanamide,CCCC(=O)Nc1ccc(O)c(c1)C(=O)C,CCCC(=O)Nc1ccc(O)c(c1)C(=O)C,"InChI=1/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16)",C12H15NO3,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/18359,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.829,FGWZEOPEZISTTR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.128,211-139-3,"630-60-4, 11018-89-6","3-(6-deoxy-a-L-mannopyranosyloxy)-1,5,11a,14,19-pentahydroxycard-20(22)-enolide","3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide",C[C@@H]1O[C@@H](OC2CC(O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](OC2CC(O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O,"InChI=1/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3",C29H44O12,,,,,,LPMXVESGRSUGHW-KAPJGFEOSA-N,,,,,,,,,,,
100.028.867,231-753-5,"7720-78-7, 7782-63-0, 13463-43-9",Iron sulphate,iron(2+) sulfate,[Fe+2].[O-]S(=O)(=O)[O-],[Fe+2].[O-]S(=O)(=O)[O-],"InChI=1/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Fe.H2O4S,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15513,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.867,BAUYGSIQEAFULO-UHFFFAOYSA-L,,,,,,,,,,,
100.030.868,233-969-5,"7789-53-9, 10476-81-0",Strontium bromide,strontium dibromide,[Br-].[Br-].[Sr+2],[Br-].[Br-].[Sr+2],InChI=1/2BrH.Sr/h2*1H;/q;;+2/p-2,Br2Sr,,,,,,YJPVTCSBVRMESK-UHFFFAOYSA-L,,,,,,,,,,,
100.014.338,215-772-6,"1404-90-6, 1404-93-9",Vancomycin,"48-({3-[(4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl}oxy)-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-{[4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (non-preferred name)",CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@@H](NC6=O)C(=O)O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)C(O)[C@H](C)O%10)c(Cl)c2,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@@H](NC6=O)C(=O)O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)C(O)[C@H](C)O%10)c(Cl)c2,"InChI=1/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)",C66H75Cl2N9O24,,,,,,MYPYJXKWCTUITO-KIIOPKALSA-N,,,,,,,,,,,
100.003.877,204-263-4,"98-55-5, 118-60-5",2-ethylhexyl salicylate,2-ethylhexyl salicylate,CCCCC(CC)COC(=O)c1ccccc1O,CCCCC(CC)COC(=O)c1ccccc1O,"InChI=1/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3",C15H22O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14203,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.877,FMRHJJZUHUTGKE-UHFFFAOYSA-N,,,,,,,,,,,
100.001.617,201-778-6,"87-86-5, 85380-74-1",Pentachlorophenol,pentachlorophenol,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,InChI=1/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,C6HCl5O,,,,,,IZUPBVBPLAPZRR-UHFFFAOYSA-N,Negative,,,,,,EQ371851|EQ371852|EQ371853|EQ371854|EQ371855|EQ371856,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90,262.8397|262.8397|262.8398|262.8398:227.8711:199.8762|262.8399:199.8759:215.8707|215.8711,Eawag
100.020.968,223-064-3,"3715-90-0, 74195-73-6",Tramazoline hydrochloride,"N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride",Cl.C1CCc2c(C1)cccc2NC3=NCCN3,Cl.C1CCc2c(C1)cccc2NC3=NCCN3,"InChI=1/C13H17N3.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16);1H",C13H17N3.ClH,,,,,,RZOXEODOFNEZRS-UHFFFAOYSA-N,,,,,,,,,,,
100.030.228,233-265-8,"10102-05-3, 32916-07-7",Palladium dinitrate,palladium(2+) dinitrate,[Pd+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Pd+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2NO3.Pd/c2*2-1(3)4;/q2*-1;+2,HNO3.1/2Pd,,,,,,GPNDARIEYHPYAY-UHFFFAOYSA-N,,,,,,,,,,,
100.013.743,215-116-9,"1303-28-2, 12044-50-7",Diarsenic pentaoxide,"1,3-dioxodiarsoxane 1,3-dioxide",O=[As](=O)O[As](=O)=O,O=[As](=O)O[As](=O)=O,InChI=1/As2O5/c3-1(4)7-2(5)6,As2O5,,,,,,COHDHYZHOPQOFD-UHFFFAOYSA-N,,,,,,,,,,,
100.000.631,200-694-7,"68-89-3, 5907-38-0","Sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate","sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate",[Na+].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2,[Na+].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2,"InChI=1/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1",C13H17N3O4S.Na,,,,,,DJGAAPFSPWAYTJ-UHFFFAOYSA-M,,,,,,,,,,,
100.012.721,213-992-7,"1071-46-1, 6148-64-7",Ethyl hydrogen malonate,3-ethoxy-3-oxopropanoic acid,CCOC(=O)CC(=O)O,CCOC(=O)CC(=O)O,"InChI=1/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)",C5H8O4,,,,,,HGINADPHJQTSKN-UHFFFAOYSA-N,,,,,,,,,,,
100.005.385,205-922-9,"217-59-4, 17777-56-9",Triphenylene,triphenylene,c1ccc2c3ccccc3c4ccccc4c2c1,c1ccc2c3ccccc3c4ccccc4c2c1,InChI=1/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H,C18H12,,,,,,SLGBZMMZGDRARJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.352,233-401-6,"7788-99-0, 10141-00-1",Chromium potassium bis(sulphate),chromium potassium bis(sulphate),[K+].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[K+].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/Cr.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+2;+1;;/p-4",Cr.2H2O4S.K,,,,,,HIZQQXDAMAATMK-UHFFFAOYSA-J,,,,,,,,,,,
100.011.274,212-402-5,"814-71-1, 5793-98-6",Calcium bis(mercaptoacetate),calcium bis(sulfanylacetate),[Ca+2].[O-]C(=O)CS.[O-]C(=O)CS,[Ca+2].[O-]C(=O)CS.[O-]C(=O)CS,"InChI=1/2C2H4O2S.Ca/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2",C2H4O2S.1/2Ca,,,,,,CNYFJCCVJNARLE-UHFFFAOYSA-L,,,,,,,,,,,
100.000.687,200-755-8,"71-48-7, 6147-53-1",Cobalt di(acetate),cobalt(2+) diacetate,[Co+2].CC(=O)[O-].CC(=O)[O-],[Co+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Co,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14769,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.687,QAHREYKOYSIQPH-UHFFFAOYSA-L,,,,,,,,,,,
100.030.086,233-108-3,"10034-81-8, 64010-42-0",Magnesium perchlorate,magnesium diperchlorate,[Mg+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,[Mg+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O,"InChI=1/2ClHO4.Mg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ClHO4.1/2Mg,,,,,,MPCRDALPQLDDFX-UHFFFAOYSA-L,,,,,,,,,,,
100.028.846,231-729-4,"7705-08-0, 10025-77-1",Iron trichloride,iron(3+) trichloride,Cl[Fe](Cl)Cl,Cl[Fe](Cl)Cl,InChI=1/3ClH.Fe/h3*1H;/q;;;+3/p-3,Cl3Fe,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16109,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.846,RBTARNINKXHZNM-UHFFFAOYSA-K,,,,,,,,,,,
100.015.826,217-408-1,"1837-57-6, 6402-23-9",Ethacridine lactate,"2-hydroxypropanoic acid - 7-ethoxyacridine-3,9-diamine (1:1)",CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.CC(O)C(=O)O,CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.CC(O)C(=O)O,"InChI=1/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)",C15H15N3O.C3H6O3,,,,,,IYLLULUTZPKQBW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.678,205-145-5,"134-50-9, 52417-22-8",Acridin-9-ylamine hydrochloride monohydrate,acridin-9-amine hydrochloride hydrate,O.Cl.Nc1c2ccccc2nc3ccccc13,O.Cl.Nc1c2ccccc2nc3ccccc13,"InChI=1/C13H10N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1-8H,(H2,14,15);1H;1H2",C13H10N2.ClH,,,,,,OREJEGKBQBIJSJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.203,233-238-0,"7439-91-0, 10099-59-9",Lanthanum trinitrate,lanthanum trinitrate,[La+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[La+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/La.3NO3/c;3*2-1(3)4/q+3;3*-1,HNO3.1/3La,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11101,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.203,FYDKNKUEBJQCCN-UHFFFAOYSA-N,,,,,,,,,,,
100.011.993,213-191-2,"928-95-0, 2305-21-7",trans-hex-2-en-1-ol,hex-2-en-1-ol,CCC\\C=C\\CO,CCC\C=C\CO,"InChI=1/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3",C6H12O,,,,,,ZCHHRLHTBGRGOT-SNAWJCMRSA-N,,,,,,,,,,,
100.008.665,209-529-3,"298-14-6, 584-08-7",Potassium carbonate,dipotassium carbonate,[K+].[K+].[O-]C(=O)[O-],[K+].[K+].[O-]C(=O)[O-],"InChI=1/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CH2O3.2K,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15221,https://echa.europa.eu/substance-information/-/substanceinfo/100.008.665,BWHMMNNQKKPAPP-UHFFFAOYSA-L,,,,,,,,,,,
100.008.169,208-985-0,"550-70-9, 6138-79-0",Triprolidine hydrochloride,2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-en-1-yl]pyridine hydrochloride,Cl.Cc1ccc(cc1)C(c2ccccn2)=CCN3CCCC3,Cl.Cc1ccc(cc1)C(c2ccccn2)=CCN3CCCC3,"InChI=1/C19H22N2.ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;/h2-3,6-12H,4-5,13-15H2,1H3;1H",C19H22N2.ClH,,,,,,WYUYEJNGHIOFOC-UHFFFAOYSA-N,,,,,,,,,,,
100.000.144,200-157-7,"52-89-1, 7048-04-6",Cysteine hydrochloride,cysteine hydrochloride,Cl.NC(CS)C(=O)O,Cl.NC(CS)C(=O)O,"InChI=1/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H",C3H7NO2S.ClH,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5517,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.144,IFQSXNOEEPCSLW-UHFFFAOYSA-N,,,,,,,,,,,
100.004.060,204-465-2,"121-33-5, 84650-63-5",Vanillin,4-hydroxy-3-methoxybenzaldehyde,COc1cc(C=O)ccc1O,COc1cc(C=O)ccc1O,"InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",C8H8O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2209,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.060,MWOOGOJBHIARFG-UHFFFAOYSA-N,Negative,,,,,,ML005951,[M-H]-,HCD50,151.0401:136.0166:108.0218,MetaboLights
100.001.334,201-467-5,"83-30-7, 71989-93-0","2,4,6-trihydroxybenzoic acid","2,4,6-trihydroxybenzoic acid",OC(=O)c1c(O)cc(O)cc1O,OC(=O)c1c(O)cc(O)cc1O,"InChI=1/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)",C7H6O5,,,,,,IBHWREHFNDMRPR-UHFFFAOYSA-N,,,,,,,,,,,
100.011.596,212-755-5,"866-84-2, 6100-05-6",Tripotassium citrate,tripotassium citrate,[K+].[K+].[K+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],[K+].[K+].[K+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-],"InChI=1/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",C6H8O7.3K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14309,https://echa.europa.eu/substance-information/-/substanceinfo/100.011.596,QEEAPRPFLLJWCF-UHFFFAOYSA-K,,,,,,,,,,,
100.009.344,210-277-1,"90-64-2, 611-72-3",DL-2-hydroxy-2-phenylacetic acid,hydroxy(phenyl)acetic acid,OC(C(=O)O)c1ccccc1,OC(C(=O)O)c1ccccc1,"InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)",C8H8O3,,,,,,IWYDHOAUDWTVEP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.284,203-611-2,"108-73-6, 6099-90-7",Phloroglucinol,"benzene-1,3,5-triol",Oc1cc(O)cc(O)c1,Oc1cc(O)cc(O)c1,"InChI=1/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H",C6H6O3,,,,,,QCDYQQDYXPDABM-UHFFFAOYSA-N,,,,,,,,,,,
100.003.429,203-770-8,"110-46-3, 463-04-7","''amyl nitrite'', mixed isomers",3-methylbutyl nitrite,CC(C)CCON=O,CC(C)CCON=O,"InChI=1/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3",C5H11NO2,,,,,,OWFXIOWLTKNBAP-UHFFFAOYSA-N,,,,,,,,,,,
100.030.110,233-135-0,"7784-31-8, 10043-01-3",Aluminium sulphate,aluminium sulphate,[Al+3].[Al+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],[Al+3].[Al+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-],"InChI=1/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",Al.3/2H2O4S,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16061,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.110,DIZPMCHEQGEION-UHFFFAOYSA-H,,,,,,,,,,,
100.056.072,261-699-8,"59323-76-1, 67715-80-4","cis-2-methyl-4-propyl-1,3-oxathiane","2-methyl-4-propyl-1,3-oxathiane",CCC[C@@H]1CCO[C@H](C)S1,CCC[C@@H]1CCO[C@H](C)S1,"InChI=1/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3",C8H16OS,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12066,https://echa.europa.eu/substance-information/-/substanceinfo/100.056.072,GKGOLPMYJJXRGD-JGVFFNPUSA-N,,,,,,,,,,,
100.027.791,230-569-2,"7198-10-9, 184901-84-6",DL-4-hydroxymandelic acid,hydroxy(4-hydroxyphenyl)acetic acid,OC(C(=O)O)c1ccc(O)cc1,OC(C(=O)O)c1ccc(O)cc1,"InChI=1/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)",C8H8O4,,,,,,YHXHKYRQLYQUIH-UHFFFAOYSA-N,,,,,,,,,,,
100.000.487,200-535-1,"62-49-7, 123-41-1",Choline,"2-hydroxy-N,N,N-trimethylethanaminium",C[N+](C)(C)CCO,C[N+](C)(C)CCO,"InChI=1/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",C5H14NO,,,,,,OEYIOHPDSNJKLS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.680,200-747-4,"71-27-2, 6101-15-1",Suxamethonium chloride,"2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium) dichloride",[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,"InChI=1/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",C14H30N2O4.2Cl,,,,,,YOEWQQVKRJEPAE-UHFFFAOYSA-L,,,,,,,,,,,
100.027.193,229-912-9,"6834-92-0, 13517-24-3",Disodium metasilicate,disodium oxosilanediolate,[Na+].[Na+].[O-][Si](=O)[O-],[Na+].[Na+].[O-][Si](=O)[O-],InChI=1/2Na.O3Si/c;;1-4(2)3/q2*+1;-2,H2O3Si.2Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16159,https://echa.europa.eu/substance-information/-/substanceinfo/100.027.193,NTHWMYGWWRZVTN-UHFFFAOYSA-N,,,,,,,,,,,
100.000.443,200-487-1,"60-81-1, 7061-54-3","2'-(ß-D-glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenone","3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside",OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2",C21H24O10,,,,,,IOUVKUPGCMBWBT-QNDFHXLGSA-N,,,,,,,,,,,
100.049.199,254-137-8,"38821-53-3, 75975-70-1",Cefradine,"7-{[amino(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(=O)O,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(=O)O,"InChI=1/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)",C16H19N3O4S,,,,,,RDLPVSKMFDYCOR-UEKVPHQBSA-N,,,,,,,,,,,
100.028.647,231-511-9,"7601-89-0, 7791-07-3",Sodium perchlorate,sodium perchlorate,[Na+].[O-]Cl(=O)(=O)=O,[Na+].[O-]Cl(=O)(=O)=O,"InChI=1/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",ClHO4.Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5226,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.647,BAZAXWOYCMUHIX-UHFFFAOYSA-M,,,,,,,,,,,
100.032.774,236-068-5,"13138-45-9, 13478-00-7",Nickel dinitrate,nickel(2+) dinitrate,[Ni+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Ni+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2NO3.Ni/c2*2-1(3)4;/q2*-1;+2,HNO3.1/2Ni,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15143,https://echa.europa.eu/substance-information/-/substanceinfo/100.032.774,KBJMLQFLOWQJNF-UHFFFAOYSA-N,,,,,,,,,,,
100.014.158,215-572-9,"1332-40-7, 1332-65-6",Dicopper chloride trihydroxide,dicopper chloride trihydroxide,[Cu+2].[Cu+2].[Cl-].[OH-].[OH-].[OH-],[Cu+2].[Cu+2].[Cl-].[OH-].[OH-].[OH-],InChI=1/ClH.2Cu.3H2O/h1H;;;3*1H2/q;2*+2;;;/p-4,ClCu2H3O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14558,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.158,SKQUUKNCBWILCD-UHFFFAOYSA-J,,,,,,,,,,,
100.039.724,243-713-4,"589-98-0, 20296-29-1",(±)-octan-3-ol,octan-3-ol,CCCCCC(O)CC,CCCCCC(O)CC,"InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3",C8H18O,,,,,,NMRPBPVERJPACX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.280,224-506-8,"4390-04-9, 93685-80-4","2,2,4,4,6,8,8-heptamethylnonane","2,2,4,4,6,8,8-heptamethylnonane",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,"InChI=1/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",C16H34,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16256,https://echa.europa.eu/substance-information/-/substanceinfo/100.022.280,VCLJODPNBNEBKW-UHFFFAOYSA-N,,,,,,,,,,,
100.047.702,252-488-1,"35285-68-8, 35285-69-9",Sodium 4-propoxycarbonylphenoxide,sodium 4-(propoxycarbonyl)phenolate,CCCOC(=O)c1ccc(O[Na])cc1,CCCOC(=O)c1ccc(O[Na])cc1,"InChI=1/C10H12O3.Na/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+1/p-1",C10H12O3.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/17005,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.702,IXMINYBUNCWGER-UHFFFAOYSA-M,,,,,,,,,,,
100.033.971,237-384-6,"13768-67-7, 35725-34-9",Ytterbium trinitrate,-,[Yb+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Yb+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/3NO3.Yb.2H/c3*2-1(3)4;;;/q3*-1;+2;;/r3NO3.H2Yb/c3*2-1(3)4;/h;;;1H2/q3*-1;+2,HNO3.1/3Yb,,,,,,HZWBLTNSDNMZSC-UHFFFAOYSA-N,,,,,,,,,,,
100.030.805,233-899-5,"7782-61-8, 10421-48-4",Iron trinitrate,iron(3+) trinitrate,[Fe+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,[Fe+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,InChI=1/Fe.3NO3/c;3*2-1(3)4/q+3;3*-1,Fe.3HNO3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15747,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.805,VCJMYUPGQJHHFU-UHFFFAOYSA-N,,,,,,,,,,,
100.034.279,237-722-2,"13943-58-3, 14459-95-1",Tetrapotassium hexacyanoferrate,tetrapotassium hexacyanoferrate,[K+].[K+].[K+].[K+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,[K+].[K+].[K+].[K+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,"InChI=1/6CN.Fe.4K/c6*1-2;;;;;/q;;;;;;;4*+1/rC6FeN6.4K/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;;/q;4*+1",C6FeN6.4K,,,,,,OCPOWIWGGAATRP-UHFFFAOYSA-N,,,,,,,,,,,
100.003.606,203-966-3,"112-39-0, 112-61-8",Methyl palmitate,methyl palmitate,CCCCCCCCCCCCCCCC(=O)OC,CCCCCCCCCCCCCCCC(=O)OC,"InChI=1/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3",C17H34O2,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15817,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.606,FLIACVVOZYBSBS-UHFFFAOYSA-N,,,,,,,,,,,
100.000.645,200-709-7,"69-53-4, 7177-48-2",Ampicillin,"6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,"InChI=1/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)",C16H19N3O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11498,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.645,AVKUERGKIZMTKX-NJBDSQKTSA-N,,,,,,,,,,,
100.027.171,229-887-4,"141-25-3, 6812-78-8",Rhodinol,"3,7-dimethyloct-7-en-1-ol",C[C@H](CCO)CCCC(=C)C,C[C@H](CCO)CCCC(=C)C,"InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3",C10H20O,,,,,,JGQFVRIQXUFPAH-JTQLQIEISA-N,,,,,,,,,,,
100.030.291,233-334-2,"10026-24-1, 10124-43-3",Cobalt sulphate,cobalt(2+) sulfate,[Co+2].[O-]S(=O)(=O)[O-],[Co+2].[O-]S(=O)(=O)[O-],"InChI=1/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Co.H2O4S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15094,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.291,KTVIXTQDYHMGHF-UHFFFAOYSA-L,,,,,,,,,,,
100.023.793,226-171-3,"895-85-2, 5314-52-3",Dimethoxysilane,dimethoxysilane,CO[SiH2]OC,CO[SiH2]OC,"InChI=1/C2H8O2Si/c1-3-5-4-2/h5H2,1-2H3",C2H8O2Si,,,,,,YQGOWXYZDLJBFL-UHFFFAOYSA-N,,,,,,,,,,,
100.030.707,233-791-8,"10035-06-0, 10361-44-1",Bismuth trinitrate,bismuth(3+) trinitrate,[BiH3+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[BiH3+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Bi.3NO3.3H/c;3*2-1(3)4;;;/q+3;3*-1;;;/rBiH3.3NO3/c;3*2-1(3)4/h1H3;;;/q+3;3*-1,Bi.3HNO3,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5151,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.707,SNBCGWHJDSJBQJ-UHFFFAOYSA-N,,,,,,,,,,,
100.030.115,233-140-8,"7774-34-7, 10035-04-8, 10043-52-4",Calcium chloride,calcium dichloride,[Cl-].[Cl-].[Ca+2],[Cl-].[Cl-].[Ca+2],InChI=1/Ca.2ClH/h;2*1H/q+2;;/p-2,CaCl2,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15461,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.115,UXVMQQNJUSDDNG-UHFFFAOYSA-L,,,,,,,,,,,
100.030.288,233-331-6,"7790-84-3, 10124-36-4, 31119-53-6",Cadmium sulphate,cadmium sulfate,[Cd+2].[O-]S(=O)(=O)[O-],[Cd+2].[O-]S(=O)(=O)[O-],"InChI=1/Cd.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",Cd.H2O4S,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/13692,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.288,QCUOBSQYDGUHHT-UHFFFAOYSA-L,,,,,,,,,,,
100.035.905,239-512-6,"15486-19-8, 27542-85-4",4-acetoxycinnamic acid,3-(4-acetoxyphenyl)acrylic acid,CC(=O)Oc1ccc(\\C=C\\C(=O)O)cc1,CC(=O)Oc1ccc(\C=C\C(=O)O)cc1,"InChI=1/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)",C11H10O4,,,,,,BYHBHNKBISXCEP-QPJJXVBHSA-N,,,,,,,,,,,
100.069.720,276-715-9,"72558-82-8, 78439-06-2",Ceftazidime,"7-({(2-amino-1,3-thiazol-4-yl)[(1-carboxy-1-methylethoxy)imino]acetyl}amino)-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",O=C3[C@@H](NC(=O)C(=NOC(C)(C)C(O)=O)c1csc(N)n1)[C@H]4SC\\C(C[n+]2ccccc2)=C(/N34)C([O-])=O,O=C3[C@@H](NC(=O)C(=NOC(C)(C)C(O)=O)c1csc(N)n1)[C@H]4SC\C(C[n+]2ccccc2)=C(/N34)C([O-])=O,"InChI=1/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)",C22H22N6O7S2,,,,,,ORFOPKXBNMVMKC-RDTXWAMCSA-N,,,,,,,,,,,
100.031.370,234-521-1,"12007-89-5, 12046-04-7",Diammonium decaborate,diammonium decaborate,[NH4+].[NH4+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],[NH4+].[NH4+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-],InChI=1/10BO3.2H3N/c10*2-1(3)4;;/h;;;;;;;;;;2*1H3/q10*-3;;/p+2,B5H4NO8,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12743,https://echa.europa.eu/substance-information/-/substanceinfo/100.031.370,YIYOHIQKOQEEKN-UHFFFAOYSA-P,,,,,,,,,,,
100.005.123,205-634-3,"144-62-7, 6153-56-6",Oxalic acid,oxalic acid,OC(=O)C(=O)O,OC(=O)C(=O)O,"InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",C2H2O4,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14786,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.123,MUBZPKHOEPUJKR-UHFFFAOYSA-N,,,,,,,,,,,
100.037.751,241-543-5,"17572-97-3, 65501-24-8",Tripotassium hydrogen ethylenediaminetetraacetate,"tripotassium hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",[K+].[K+].[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],[K+].[K+].[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-],"InChI=1/C10H16N2O8.3K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-4",C10H16N2O8.3K,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10275,https://echa.europa.eu/substance-information/-/substanceinfo/100.037.751,FYZXEMANQYHCFX-UHFFFAOYSA-J,,,,,,,,,,,
100.028.880,231-767-1,"7722-88-5, 13472-36-1",Tetrasodium pyrophosphate,tetrasodium diphosphate,[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])OP(=O)([O-])[O-],[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])OP(=O)([O-])[O-],"InChI=1/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",H4O7P2.4Na,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14859,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.880,FQENQNTWSFEDLI-UHFFFAOYSA-J,,,,,,,,,,,
100.028.949,231-843-4,"7758-94-3, 13478-10-9",Iron dichloride,iron(2+) dichloride,Cl[Fe]Cl,Cl[Fe]Cl,InChI=1/2ClH.Fe/h2*1H;/q;;+2/p-2,Cl2Fe,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15494,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.949,NMCUIPGRVMDVDB-UHFFFAOYSA-L,,,,,,,,,,,
100.044.778,249-271-9,"28860-95-9, 38821-49-7",Carbidopa,"3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid",C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O,C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O,"InChI=1/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)",C10H14N2O4,,,,,,TZFNLOMSOLWIDK-JTQLQIEISA-N,,,,,,,,,,,
100.003.101,203-409-4,"106-55-8, 2815-34-1","2,5-dimethylpiperazine","2,5-dimethylpiperazine",CC1CNC(C)CN1,CC1CNC(C)CN1,"InChI=1/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3",C6H14N2,,,,,,NSMWYRLQHIXVAP-UHFFFAOYSA-N,,,,,,,,,,,
100.028.718,231-589-4,"7646-79-9, 7791-13-1",Cobalt dichloride,cobalt(2+) dichloride,[Cl-].[Cl-].[Co+2],[Cl-].[Cl-].[Co+2],InChI=1/2ClH.Co/h2*1H;/q;;+2/p-2,Cl2Co,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14346,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.718,GVPFVAHMJGGAJG-UHFFFAOYSA-L,,,,,,,,,,,
100.036.933,240-643-6,"16588-02-6, 81012-96-6",2-chloro-5-nitrobenzonitrile,2-chloro-5-nitrobenzonitrile,[O-][N+](=O)c1ccc(Cl)c(c1)C#N,[O-][N+](=O)c1ccc(Cl)c(c1)C#N,InChI=1/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H,C7H3ClN2O2,,,,,,ZGILLTVEEBNDOB-UHFFFAOYSA-N,,,,,,,,,,,
100.009.484,210-431-8,"615-50-9, 6369-59-1",2-methyl-p-phenylenediamine sulfate,"2-methylbenzene-1,4-diamine sulfate",Cc1cc(N)ccc1N.OS(=O)(=O)O,Cc1cc(N)ccc1N.OS(=O)(=O)O,"InChI=1/C7H10N2.H2O4S/c1-5-4-6(8)2-3-7(5)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)",C7H10N2.H2O4S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13667,https://echa.europa.eu/substance-information/-/substanceinfo/100.009.484,KZTWOUOZKZQDMN-UHFFFAOYSA-N,,,,,,,,,,,
100.030.202,233-237-5,"10025-84-0, 10099-58-8","Lanthanum chloride, anhydrous",lanthanum trichloride,[Cl-].[Cl-].[Cl-].[La+3],[Cl-].[Cl-].[Cl-].[La+3],InChI=1/3ClH.La/h3*1H;/q;;;+3/p-3,Cl3La,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14555,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.202,ICAKDTKJOYSXGC-UHFFFAOYSA-K,,,,,,,,,,,
100.032.658,235-940-2,"96-20-8, 13054-87-0",(±)-2-aminobutan-1-ol,2-aminobutan-1-ol,CCC(N)CO,CCC(N)CO,"InChI=1/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3",C4H11NO,,,,,,JCBPETKZIGVZRE-UHFFFAOYSA-N,,,,,,,,,,,
100.030.704,233-788-1,"10326-27-9, 10361-37-2",Barium chloride,barium dichloride,[Cl-].[Cl-].[Ba+2],[Cl-].[Cl-].[Ba+2],InChI=1/Ba.2ClH/h;2*1H/q+2;;/p-2,BaCl2,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15037,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.704,WDIHJSXYQDMJHN-UHFFFAOYSA-L,,,,,,,,,,,
100.028.580,231-437-7,"6119-47-7, 7549-43-1",Quinine hydrochloride,6'-methoxycinchonan-9-ol hydrochloride,Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H",C20H24N2O2.xClH,,,,,,LBSFSRMTJJPTCW-DSXUQNDKSA-N,,,,,,,,,,,
100.033.635,237-014-3,"86-68-0, 13586-68-0",p-tert-butyl-2-methylcinnamaldehyde,3-(4-tert-butyl-2-methylphenyl)acrylaldehyde,Cc1cc(ccc1\\C=C\\C=O)C(C)(C)C,Cc1cc(ccc1\C=C\C=O)C(C)(C)C,"InChI=1/C14H18O/c1-11-10-13(14(2,3)4)8-7-12(11)6-5-9-15/h5-10H,1-4H3",C14H18O,,,,,,CYWMBZBRXXZCFS-AATRIKPKSA-N,,,,,,,,,,,
100.042.145,246-376-1,"590-00-1, 24634-61-5","Potassium (E,E)-hexa-2,4-dienoate","potassium hexa-2,4-dienoate",[K+].C\\C=C\\C=C\\C(=O)[O-],[K+].C\C=C\C=C\C(=O)[O-],"InChI=1/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1",C6H8O2.K,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11008,https://echa.europa.eu/substance-information/-/substanceinfo/100.042.145,CHHHXKFHOYLYRE-STWYSWDKSA-M,,,,,,,,,,,
100.028.836,231-718-4,"7699-45-8, 18921-13-6",Zinc bromide,zinc dibromide,[Zn+2].[Br-].[Br-],[Zn+2].[Br-].[Br-],InChI=1/2BrH.Zn/h2*1H;/q;;+2/p-2,Br2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14125,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.836,VNDYJBBGRKZCSX-UHFFFAOYSA-L,,,,,,,,,,,
100.000.214,200-235-0,"55-48-1, 5908-99-6",Atropine sulphate,8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate sulfate (salt),CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.OS(=O)(=O)O,CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.OS(=O)(=O)O,"InChI=1/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)",C17H23NO3.1/2H2O4S,,,,,,VJFQPODMEGSXHC-RIMUKSHESA-N,,,,,,,,,,,
100.023.542,225-896-2,"5137-55-3, 63393-96-4",Methyltrioctylammonium chloride,"N-methyl-N,N-dioctyloctan-1-aminium chloride",[Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC,[Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC,"InChI=1/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1",C25H54N.Cl,,,,,,XKBGEWXEAPTVCK-UHFFFAOYSA-M,,,,,,,,,,,
100.005.049,205-553-3,"142-71-2, 6046-93-1",Copper di(acetate),copper(2+) diacetate,[Cu+2].[O-]C(C)=O.[O-]C(C)=O,[Cu+2].[O-]C(C)=O.[O-]C(C)=O,"InChI=1/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Cu,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/5859,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.049,OPQARKPSCNTWTJ-UHFFFAOYSA-L,,,,,,,,,,,
100.040.489,244-554-3,"21736-83-4, 22189-32-8",Spectinomycin dihydrochloride,"4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one dihydrochloride",Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O,Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O,"InChI=1/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H",C14H24N2O7.2ClH,,,,,,FOGDPGQSHLLYIK-XYQGXRRISA-N,,,,,,,,,,,
100.000.790,200-868-2,"75-39-8, 58052-80-5",Acetaldehyde--ammonia,1-aminoethanol,CC(N)O,CC(N)O,"InChI=1/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3",C2H7NO,,,,,,UJPKMTDFFUTLGM-UHFFFAOYSA-N,,,,,,,,,,,
100.037.229,240-968-3,"7440-21-3, 16919-19-0",Ammonium hexafluorosilicate,diammonium hexafluorosilicate,[NH4+].[NH4+].F[Si-2](F)(F)(F)(F)F,[NH4+].[NH4+].F[Si-2](F)(F)(F)(F)F,"InChI=1/F6Si.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",F6Si.2H4N,,,,,,ITHIMUMYFVCXSL-UHFFFAOYSA-P,,,,,,,,,,,
100.047.097,251-823-9,"19438-60-9, 34090-76-1",Tetrahydro-4-methylphthalic anhydride,"6-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione",CC1=CC2C(CC1)C(=O)OC2=O,CC1=CC2C(CC1)C(=O)OC2=O,"InChI=1/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h4,6-7H,2-3H2,1H3",C9H10O3,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/2190,https://echa.europa.eu/substance-information/-/substanceinfo/100.047.097,MWSKJDNQKGCKPA-UHFFFAOYSA-N,,,,,,,,,,,
100.042.896,247-201-1,"15089-51-7, 25711-72-2",(3-aminophenyl)urea,1-(3-aminophenyl)urea,NC(=O)Nc1cccc(N)c1,NC(=O)Nc1cccc(N)c1,"InChI=1/C7H9N3O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,8H2,(H3,9,10,11)",C7H9N3O,,,,,,ZNXSFVXZQBETRJ-UHFFFAOYSA-N,,,,,,,,,,,
100.002.267,202-492-4,"96-24-2, 342611-01-2","3-chloropropane-1,2-diol","3-chloropropane-1,2-diol",OCC(O)CCl,OCC(O)CCl,"InChI=1/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2",C3H7ClO2,Intermediate,Individual,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/7114,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.267,SSZWWUDQMAHNAQ-UHFFFAOYSA-N,,,,,,,,,,,
100.028.858,231-743-0,"7718-54-9, 7791-20-0",Nickel dichloride,nickel(2+) dichloride,[Cl-].[Cl-].[Ni+2],[Cl-].[Cl-].[Ni+2],InChI=1/2ClH.Ni/h2*1H;/q;;+2/p-2,Cl2Ni,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15947,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.858,QMMRZOWCJAIUJA-UHFFFAOYSA-L,,,,,,,,,,,
100.028.687,231-555-9,"7632-00-0, 71868-10-5",Sodium nitrite,sodium nitrite,[Na+].[O-]N=O,[Na+].[O-]N=O,"InChI=1/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",HNO2.Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14890,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.687,LPXPTNMVRIOKMN-UHFFFAOYSA-M,,,,,,,,,,,
100.000.288,200-317-6,"57-15-8, 6001-64-5",Chlorbutanol,"1,1,1-trichloro-2-methylpropan-2-ol",CC(C)(O)C(Cl)(Cl)Cl,CC(C)(O)C(Cl)(Cl)Cl,"InChI=1/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",C4H7Cl3O,,,,,,OSASVXMJTNOKOY-UHFFFAOYSA-N,,,,,,,,,,,
100.000.043,200-046-3,"50-54-4, 6591-63-5",Quinidine sulphate,6'-methoxycinchonan-9-ol sulfate (salt),COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O,"InChI=1/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)",C20H24N2O2.1/2H2O4S,,,,,,AKYHKWQPZHDOBW-VJAUXQICSA-N,,,,,,,,,,,
100.030.256,233-296-7,"10108-64-2, 35658-65-2",Cadmium chloride,cadmium dichloride,[Cl-].[Cl-].[Cd+2],[Cl-].[Cl-].[Cd+2],InChI=1/Cd.2ClH/h;2*1H/q+2;;/p-2,CdCl2,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14430,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.256,YKYOUMDCQGMQQO-UHFFFAOYSA-L,,,,,,,,,,,
100.043.709,248-096-5,"26160-83-8, 26896-48-0",Tricyclodecanedimethanol,"tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol",OCC1CC23CCC1(CC2)CC3CO,OCC1CC23CCC1(CC2)CC3CO,"InChI=1/C12H20O2/c13-7-9-6-12-2-1-11(9,3-4-12)5-10(12)8-14/h9-10,13-14H,1-8H2",C12H20O2,Full,Individual,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/6954,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.709,YGOKKVJEXURPMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.006.011,206-611-0,"357-08-4, 51481-60-8","(5a)-17-allyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride","17-allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-one hydrochloride",Cl.Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,Cl.Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,"InChI=1/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H",C19H21NO4.ClH,,,,,,RGPDIGOSVORSAK-STHHAXOLSA-N,,,,,,,,,,,
100.001.067,201-173-7,"79-06-1, 122775-19-3",Acrylamide,acrylamide,NC(=O)C=C,NC(=O)C=C,"InChI=1/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)",C3H5NO,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15534,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.067,HRPVXLWXLXDGHG-UHFFFAOYSA-N,,,,,,,,,,,
100.067.225,273-968-7,"61693-41-2, 69331-39-1","1-Hexadecanol, phosphate, compd. with 2,2'-iminobis[ethanol] (1:1)",-,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO,"InChI=1/C16H35O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;6-3-1-5-2-4-7/h2-16H2,1H3,(H2,17,18,19);5-7H,1-4H2/p-2",-,,,,,,GKKMCECQQIKAHA-UHFFFAOYSA-L,,,,,,,,,,,
100.034.409,237-865-0,"14025-21-9, 73513-47-0","Disodium [[N,N'-ethylenediylbis[N-(carboxylatomethyl)glycinato]](4-)-N,N',O,O',ON,ON']zincate(2-)","disodium [2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetato(4-)]zincate(2-)",[Na]OC(=O)CN(CCN1CC(=O)O[Zn]OC(=O)C1)CC(=O)O[Na],[Na]OC(=O)CN(CCN1CC(=O)O[Zn]OC(=O)C1)CC(=O)O[Na],"InChI=1/C10H16N2O8.2Na.Zn/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;2*+1;+2/p-4",C10H12N2O8Zn.2Na,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14254,https://echa.europa.eu/substance-information/-/substanceinfo/100.034.409,UBLOJEHIINPTTG-UHFFFAOYSA-J,,,,,,,,,,,
100.059.780,265-777-2,"4927-39-3, 65442-31-1",6-sec-butylquinoline,6-sec-butylquinoline,CCC(C)c1ccc2ncccc2c1,CCC(C)c1ccc2ncccc2c1,"InChI=1/C13H15N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h4-10H,3H2,1-2H3",C13H15N,,,,,,AUBLFWWZTFFBNU-UHFFFAOYSA-N,,,,,,,,,,,
100.028.904,231-793-3,"7446-19-7, 7446-20-0, 7733-02-0",Zinc sulphate,zinc sulfate,[Zn+2].[O-]S(=O)(=O)[O-],[Zn+2].[O-]S(=O)(=O)[O-],"InChI=1/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",H2O4S.Zn,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15488,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.904,NWONKYPBYAMBJT-UHFFFAOYSA-L,,,,,,,,,,,
100.030.739,233-826-7,"10377-60-3, 13446-18-9",Magnesium nitrate,magnesium dinitrate,[Mg+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Mg+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/Mg.2NO3/c;2*2-1(3)4/q+2;2*-1,HNO3.1/2Mg,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16076,https://echa.europa.eu/substance-information/-/substanceinfo/100.030.739,YIXJRHPUWRPCBB-UHFFFAOYSA-N,,,,,,,,,,,
100.014.075,215-481-4,"1327-53-3, 7440-38-2",Diarsenic trioxide,dioxodiarsoxane,O=[As]O[As]=O,O=[As]O[As]=O,InChI=1/As2O3/c3-1-5-2-4,As2O3,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14857,https://echa.europa.eu/substance-information/-/substanceinfo/100.014.075,IKWTVSLWAPBBKU-UHFFFAOYSA-N,,,,,,,,,,,
100.030.794,233-886-4,"7783-34-8, 10415-75-5",Dimercury dinitrate,dimercury dinitrate,[Hg+2].[Hg+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Hg+2].[Hg+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2Hg.2NO3/c;;2*2-1(3)4/q2*+2;2*-1,HNO3.Hg,,,,,,IGVKAPDYRHBJID-UHFFFAOYSA-N,,,,,,,,,,,
100.043.625,248-003-8,"26787-78-0, 61336-70-7",Amoxicillin,"6-{[amino(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccc(O)cc1)[C@H]3SC2(C)C,O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccc(O)cc1)[C@H]3SC2(C)C,"InChI=1/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)",C16H19N3O5S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/12616,https://echa.europa.eu/substance-information/-/substanceinfo/100.043.625,LSQZJLSUYDQPKJ-NJBDSQKTSA-N,,,,,,,,,,,
100.026.996,229-695-0,"6658-48-6, 67715-80-4",3-(p-cumenyl)-2-methylpropionaldehyde,3-(4-isopropylphenyl)-2-methylpropanal,CC(Cc1ccc(cc1)C(C)C)C=O,CC(Cc1ccc(cc1)C(C)C)C=O,"InChI=1/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3",C14H20O,,,,,,ZFNVDHOSLNRHNN-UHFFFAOYSA-N,,,,,,,,,,,
100.008.742,209-615-0,"588-30-7, 14755-02-3",3-hydroxycinnamic acid,3-(3-hydroxyphenyl)acrylic acid,OC(=O)\\C=C\\c1cccc(O)c1,OC(=O)\C=C\c1cccc(O)c1,"InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)",C9H8O3,,,,,,KKSDGJDHHZEWEP-SNAWJCMRSA-N,,,,,,,,,,,
100.004.548,205-001-1,"130-89-2, 6119-47-7, 6151-40-2","(8a,9R)-6'-methoxycinchonan-9-ol monohydrochloride",6'-methoxycinchonan-9-ol hydrochloride,Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,"InChI=1/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H",C20H24N2O2.ClH,,,,,,LBSFSRMTJJPTCW-DSXUQNDKSA-N,,,,,,,,,,,
100.048.949,253-863-2,"18871-14-2, 38285-49-3",3-butyltetrahydro-5-methyl-2H-pyran-4-yl acetate,"3-O-acetyl-1,5-anhydro-2-butyl-2,4-dideoxy-4-methylpentitol",CCCCC1COCC(C)C1OC(=O)C,CCCCC1COCC(C)C1OC(=O)C,"InChI=1/C12H22O3/c1-4-5-6-11-8-14-7-9(2)12(11)15-10(3)13/h9,11-12H,4-8H2,1-3H3",C12H22O3,,,,,,XWNKVSFNBVIKJB-UHFFFAOYSA-N,,,,,,,,,,,
100.032.994,236-308-9,"13291-61-7, 125572-95-4","trans-cyclohexane-1,2-dinitrilotetraacetic acid","2,2',2'',2'''-(cyclohexane-1,2-diyldinitrilo)tetraacetic acid",OC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O,OC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O,"InChI=1/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)",C14H22N2O8,,,,,,FCKYPQBAHLOOJQ-UHFFFAOYSA-N,,,,,,,,,,,
100.029.039,231-943-8,"7779-88-6, 10196-18-6",Zinc nitrate,zinc dinitrate,[Zn+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],[Zn+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-],InChI=1/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2,HNO3.1/2Zn,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15856,https://echa.europa.eu/substance-information/-/substanceinfo/100.029.039,ONDPHDOFVYQSGI-UHFFFAOYSA-N,,,,,,,,,,,
100.084.021,292-458-5,"64741-66-8, 90622-56-3","Alkanes, C7-10-iso-","2,4-dimethylhexane",CCC(C)CC(C)C,CCC(C)CC(C)C,"InChI=1/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3",-,,,,,,HDGQICNBXPAKLR-UHFFFAOYSA-N,,,,,,,,,,,
100.010.305,211-334-3,"638-38-0, 6156-78-1",Manganese di(acetate),manganese(2+) diacetate,[Mn+2].CC(=O)[O-].CC(=O)[O-],[Mn+2].CC(=O)[O-].CC(=O)[O-],"InChI=1/2C2H4O2.Mn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",C2H4O2.1/2Mn,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13305,https://echa.europa.eu/substance-information/-/substanceinfo/100.010.305,UOGMEBQRZBEZQT-UHFFFAOYSA-L,,,,,,,,,,,
100.009.917,210-908-0,"300-85-6, 625-71-8",(±)-3-hydroxybutyric acid,3-hydroxybutanoic acid,CC(O)CC(=O)O,CC(O)CC(=O)O,"InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)",C4H8O3,,,,,,WHBMMWSBFZVSSR-UHFFFAOYSA-N,,,,,,,,,,,
100.000.685,200-753-7,"71-43-2, 1076-43-3",Benzene,benzene,c1ccccc1,c1ccccc1,InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H,C6H6,Full,Joint,1000000 - 10000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16102,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.685,UHOVQNZJYSORNB-UHFFFAOYSA-N,,,,,,,,,,,
100.023.835,226-218-8,"2430-22-0, 5329-14-6",Sulphamidic acid,sulfamic acid,NS(=O)(=O)O,NS(=O)(=O)O,"InChI=1/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)",H3NO3S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14842,https://echa.europa.eu/substance-information/-/substanceinfo/100.023.835,IIACRCGMVDHOTQ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.173,219-989-7,"2592-95-2, 123333-53-9",1-hydroxybenzotriazole,1H-benzotriazol-1-ol,On1nnc2ccccc12,On1nnc2ccccc12,"InChI=1/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H",C6H5N3O,,,,,,ASOKPJOREAFHNY-UHFFFAOYSA-N,Positive/Negative,AU223201|AU223202|AU223203;EQ289901|EQ289902|EQ289903|EQ289904|EQ289905|EQ289906|EQ289907|EQ289908|EQ289909;ETS00117,[M+H]+;[M+H]+;[M+H]+,CID10|CID20|CID30;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCDscaled 80 (m/z=200) to 110 (m/z=120),136.0497:137.0529:119.047|136.0496:119.0471:137.0529|136.0502:119.0465;136.0506:91.0417:119.0479|136.0506:91.0417:119.0479|136.0506:91.0417:119.0479|136.0507:91.0417:119.0479|91.0417:136.0507:119.0479|91.0417:64.0308:119.0479|91.0417:64.0308:63.023|63.023:64.0308:52.0183|63.023:52.0183:64.0308;91.041:119.0472:64.0299,Athens_Univ;Eawag;Eawag_Additional_Specs2,EQ289951|EQ289952|EQ289953|EQ289954|EQ289955|EQ289956|EQ289957|EQ289958|EQ289959,[M-H]-,HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,134.036:106.0298:78.0349|134.036:106.0298:78.0349|134.036:106.0298:78.0349|134.036:78.0349:106.0298|78.0349:52.0192:134.036|52.0192:78.0349:50.0036|50.0036:52.0192:78.0349|50.0036:52.0192|50.0036,Eawag
100.049.430,254-393-0,"35011-47-3, 39267-74-8","2,5,6-triaminopyrimidin-4(1H)-one sulphate","2,5,6-triaminopyrimidin-4(1H)-one sulfate",NC1=NC(=O)C(=C(N)N1)N.OS(=O)(=O)O,NC1=NC(=O)C(=C(N)N1)N.OS(=O)(=O)O,"InChI=1/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)",C4H7N5O.xH2O4S,,,,,,RSKNEEODWFLVFF-UHFFFAOYSA-N,,,,,,,,,,,
100.038.222,242-060-2,"127-91-3, 18172-67-3",(-)-pin-2(10)-ene,"6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane",CC1(C)C2CCC(=C)C1C2,CC1(C)C2CCC(=C)C1C2,"InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",C10H16,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15934,https://echa.europa.eu/substance-information/-/substanceinfo/100.038.222,WTARULDDTDQWMU-UHFFFAOYSA-N,,,,,,,,,,,
100.021.580,223-737-1,"535-75-1, 4043-87-2",DL-piperidine-2-carboxylic acid,piperidine-2-carboxylic acid,OC(=O)C1CCCCN1,OC(=O)C1CCCCN1,"InChI=1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)",C6H11NO2,,,,,,HXEACLLIILLPRG-UHFFFAOYSA-N,,,,,,,,,,,
100.003.263,203-588-9,"108-49-6, 21655-48-1","2,6-dimethylpiperazine","2,6-dimethylpiperazine",CC1CNCC(C)N1,CC1CNCC(C)N1,"InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3",C6H14N2,,,,,,IFNWESYYDINUHV-UHFFFAOYSA-N,,,,,,,,,,,
100.013.848,215-231-4,"1314-35-8, 7440-33-7",Tungsten trioxide,trioxotungsten,O=[W](=O)=O,O=[W](=O)=O,InChI=1/3O.W/rO3W/c1-4(2)3,O3W,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15315,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.848,ZNOKGRXACCSDPY-UHFFFAOYSA-N,,,,,,,,,,,
100.005.192,205-710-6,"148-18-5, 20624-25-3",Sodium diethyldithiocarbamate,sodium diethyldithiocarbamate,[Na+].CCN(CC)C(=S)[S-],[Na+].CCN(CC)C(=S)[S-],"InChI=1/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1",C5H11NS2.Na,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/11278,https://echa.europa.eu/substance-information/-/substanceinfo/100.005.192,IOEJYZSZYUROLN-UHFFFAOYSA-M,,,,,,,,,,,
100.031.024,234-140-0,"7791-28-8, 10553-31-8",Barium bromide,barium dibromide,[Br-].[Br-].[Ba+2],[Br-].[Br-].[Ba+2],InChI=1/Ba.2BrH/h;2*1H/q+2;;/p-2,BaBr2,,,,,,NKQIMNKPSDEDMO-UHFFFAOYSA-L,,,,,,,,,,,
100.004.597,205-055-6,"132-27-4, 6152-33-6",Sodium 2-biphenylate,sodium biphenyl-2-olate,[Na+].[O-]c1ccccc1c2ccccc2,[Na+].[O-]c1ccccc1c2ccccc2,"InChI=1/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1",C12H10O.Na,,,,,,KSQXVLVXUFHGJQ-UHFFFAOYSA-M,,,,,,,,,,,
100.041.660,245-842-1,"639-99-6, 23726-91-2","(E)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one","1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one",C\\C=C\\C(=O)C1=C(C)CCCC1(C)C,C\C=C\C(=O)C1=C(C)CCCC1(C)C,"InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3",C13H20O,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16585,https://echa.europa.eu/substance-information/-/substanceinfo/100.041.660,BGTBFNDXYDYBEY-FNORWQNLSA-N,,,,,,,,,,,
100.016.089,217-696-9,"1934-16-3, 6586-05-6","3,7-bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride","3,7-bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride",[Cl-].CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C,[Cl-].CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C,"InChI=1/C18H22N3S.ClH/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;/h7-10,19-20H,5-6H2,1-4H3;1H/q+1;/p-1",C18H22N3S.Cl,,,,,,NZYCYASKVWSANA-UHFFFAOYSA-M,,,,,,,,,,,
100.017.784,219-562-5,"2463-53-8, 18829-56-6",Non-2-enal,non-2-enal,CCCCCCC=CC=O,CCCCCCC=CC=O,"InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3",C9H16O,,,,,,BSAIUMLZVGUGKX-UHFFFAOYSA-N,,,,,,,,,,,
100.049.422,254-384-1,39255-32-8,Ethyl 2-methylvalerate,ethyl 2-methylpentanoate,CCCC(C)C(=O)OCC,CCCC(C)C(=O)OCC,"InChI=1/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3",C8H16O2,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10528,https://echa.europa.eu/substance-information/-/substanceinfo/100.049.422,HZPKNSYIDSNZKW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.772,201-949-5,89-88-3,"1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-ol","2-isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulen-6-ol",CC1CC(O)C=C(C)C2CC(=C(C)C)CC12,CC1CC(O)C=C(C)C2CC(=C(C)C)CC12,"InChI=1/C15H24O/c1-9(2)12-7-14-10(3)5-13(16)6-11(4)15(14)8-12/h5,11,13-16H,6-8H2,1-4H3",C15H24O,,,,,,INIOTLARNNSXAE-UHFFFAOYSA-N,,,,,,,,,,,
100.031.129,234-255-6,11024-24-1,Digitonin,"2,15-dihydroxyspirostan-3-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-xylo-hexopyranosyl-(1->4)-beta-D-galactopyranoside",C[C@@H]1CC[C@@]2(OC1)O[C@H]3[C@@H](O)[C@H]4[C@@H]5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)C(O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O)[C@H](O)[C@H]7O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,C[C@@H]1CC[C@@]2(OC1)O[C@H]3[C@@H](O)[C@H]4[C@@H]5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)C(O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O)[C@H](O)[C@H]7O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C,"InChI=1/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3",C56H92O29,,,,,,UVYVLBIGDKGWPX-YCCXZQINSA-N,,,,,,,,,,,
100.013.416,214-757-1,1192-62-7,2-furyl methyl ketone,1-(2-furyl)ethanone,CC(=O)c1occc1,CC(=O)c1occc1,"InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3",C6H6O2,,,,,,IEMMBWWQXVXBEU-UHFFFAOYSA-N,,,,,,,,,,,
100.003.501,203-850-2,111-25-1,1-bromohexane,1-bromohexane,CCCCCCBr,CCCCCCBr,"InChI=1/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3",C6H13Br,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/10829,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.501,MNDIARAMWBIKFW-UHFFFAOYSA-N,,,,,,,,,,,
100.013.829,215-211-5,"1313-82-2, 27610-45-3",Disodium sulphide,disodium sulfide,[Na]S[Na],[Na]S[Na],InChI=1/2Na.S/rNa2S/c1-3-2,Na2S,Full,Joint,10000 - 100000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/16038,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.829,CXPWOVUZRAFMDA-UHFFFAOYSA-N,,,,,,,,,,,
100.001.358,201-493-7,83-66-9,"4-tert-butyl-3-methoxy-2,6-dinitrotoluene","1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene",COc1c(c(C)c(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],COc1c(c(C)c(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3",C12H16N2O5,,,,,,SUAUILGSCPYJCS-UHFFFAOYSA-N,,,,,,,,,,,
100.006.524,207-174-9,446-72-0,"5,7-dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone","5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one",Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,"InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H",C15H10O5,,,,,,TZBJGXHYKVUXJN-UHFFFAOYSA-N,Positive/Negative,SM882702;EQ326501|EQ326502|EQ326503|EQ326504|EQ326505|EQ326506|EQ326507|EQ326508|EQ326509;UF423801|UF423802|UF423803|UF423804,[M+H]+;[M+H]+;[M+H]+,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD55|HCD80|CID35|CID55,271.0601:153.0182:215.0702;271.06|271.0601:153.0182:243.0654|271.0601:215.0704:153.0183|153.0183:271.0602:215.0704|91.0543:153.0183:141.0699|91.0542:65.0386:153.0183|65.0386:91.0543:115.0543|65.0386:115.0543:68.9971|65.0386:68.9971:63.023;271.06:215.0702:243.0651|91.0541:153.0181:141.0697|271.0597:153.0179:215.0699|153.018:215.07:243.0649,CASMI_2016;Eawag;UFZ,SM882751;EQ326551|EQ326552|EQ326553|EQ326554|EQ326555|EQ326556|EQ326557|EQ326558|EQ326559;UF423851|UF423852|UF423853|UF423854,[M-H]-;[M-H]-;[M-H]-,HCD35;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180;HCD55|HCD80|CID35|CID55,269.0456:133.0294:159.0452;269.0455|269.0455:225.0558|269.0455:133.0295:181.0659|269.0457:133.0296:63.0241|133.0296:63.0241:65.0033|63.0241:133.0296:65.0033|65.0033:132.0217:63.0241|65.0033:63.0241:132.0217|65.0033:63.0241:63.9955;269.0454|269.0455|269.0454:181.0659:225.0557|181.0659:225.0557:201.0557,CASMI_2016;Eawag;UFZ
100.019.418,221-359-1,1/12/3077,"2,2'-[(4-methylphenyl)imino]bisethanol","2,2'-[(4-methylphenyl)imino]diethanol",Cc1ccc(cc1)N(CCO)CCO,Cc1ccc(cc1)N(CCO)CCO,"InChI=1/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3",C11H17NO2,,,,,,JUVSRZCUMWZBFK-UHFFFAOYSA-N,,,,,,,,,,,
100.004.163,204-578-7,122-84-9,4-methoxyphenylacetone,1-(4-methoxyphenyl)acetone,COc1ccc(CC(=O)C)cc1,COc1ccc(CC(=O)C)cc1,"InChI=1/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3",C10H12O2,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/17144,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.163,WFWKNGZODAOLEO-UHFFFAOYSA-N,,,,,,,,,,,
100.004.196,204-614-1,123-28-4,"Didodecyl 3,3'-thiodipropionate","didodecyl 3,3'-sulfanediyldipropanoate",CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,"InChI=1/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",C30H58O4S,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13602,https://echa.europa.eu/substance-information/-/substanceinfo/100.004.196,GHKOFFNLGXMVNJ-UHFFFAOYSA-N,,,,,,,,,,,
100.018.188,220-005-3,2601-13-0,2-methylbutyl hexanoate,2-methylbutyl hexanoate,CCCCCC(=O)OCC(C)CC,CCCCCC(=O)OCC(C)CC,"InChI=1/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3",C11H22O2,,,,,,ZWMQVDONBUJJLL-UHFFFAOYSA-N,,,,,,,,,,,
100.033.449,236-810-8,13494-06-9,"3,4-dimethylcyclopentane-1,2-dione","3,4-dimethylcyclopentane-1,2-dione",CC1CC(=O)C(=O)C1C,CC1CC(=O)C(=O)C1C,"InChI=1/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4-5H,3H2,1-2H3",C7H10O2,,,,,,WGAVDEVFJDQIMZ-UHFFFAOYSA-N,,,,,,,,,,,
100.000.796,200-875-0,75-50-3,Trimethylamine,"N,N-dimethylmethanamine",CN(C)C,CN(C)C,InChI=1/C3H9N/c1-4(2)3/h1-3H3,C3H9N,Full,Joint,10 - 100 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14936,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.796,GETQZCLCWQTVFV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.054,201-159-0,78-93-3,Butanone,butan-2-one,CCC(=O)C,CCC(=O)C,"InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3",C4H8O,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15065,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.054,ZWEHNKRNPOVVGH-UHFFFAOYSA-N,,,,,,,,,,,
100.033.515,236-883-6,13532-18-8,Methyl 3-(methylthio)propionate,methyl 3-(methylsulfanyl)propanoate,COC(=O)CCSC,COC(=O)CCSC,"InChI=1/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3",C5H10O2S,,,,,,DMMJVMYCBULSIS-UHFFFAOYSA-N,,,,,,,,,,,
100.002.467,202-713-4,98-92-0,Nicotinamide,nicotinamide,NC(=O)c1cccnc1,NC(=O)c1cccnc1,"InChI=1/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",C6H6N2O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14571,https://echa.europa.eu/substance-information/-/substanceinfo/100.002.467,DFPAKSUCGFBDDF-UHFFFAOYSA-N,Positive,ML005101,[M+H]+,HCD50,123.0556:80.0498:96.0447,MetaboLights,,,,,
100.054.782,260-279-1,56602-33-6,Tri(dimethylamino)benzotriazol-1-yloxyphosphonium hexafluorophosphate,(1H-benzotriazol-1-yloxy)[tris(dimethylamino)]phosphonium hexafluorophosphate,CN(C)[P+](On1nnc2ccccc12)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F,CN(C)[P+](On1nnc2ccccc12)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F,"InChI=1/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1",C12H22N6OP.F6P,,,,,,MGEVGECQZUIPSV-UHFFFAOYSA-N,,,,,,,,,,,
100.036.129,239-758-4,15679-13-7,2-isopropyl-4-methylthiazole,"2-isopropyl-4-methyl-1,3-thiazole",CC(C)c1nc(C)cs1,CC(C)c1nc(C)cs1,"InChI=1/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H3",C7H11NS,,,,,,OFLXNHNYPQPQKW-UHFFFAOYSA-N,,,,,,,,,,,
100.001.136,201-248-4,80-08-0,Dapsone,"4,4'-sulfonyldianiline",Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,"InChI=1/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",C12H12N2O2S,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13793,https://echa.europa.eu/substance-information/-/substanceinfo/100.001.136,MQJKPEGWNLWLTK-UHFFFAOYSA-N,Positive,AU102401;EQ364401|EQ364402|EQ364403|EQ364404|EQ364405|EQ364406|EQ364407|EQ364408|EQ364409,[M+H]+;[M+H]+,CID19.8-29.6;HCD15|HCD30|HCD45|HCD60|HCD75|HCD90|HCD120|HCD150|HCD180,156.0116:108.0464:249.0704;249.069:156.0112:108.0443|156.0112:249.0691:108.0443|108.0443:92.0494:156.0112|92.0494:108.0443:93.0572|92.0494:108.0443:65.0385|65.0385:92.0494:108.0443|65.0386:80.0494:93.0573|65.0386:80.0494:66.0464|65.0386:80.0494:53.0386,Athens_Univ;Eawag,,,,,
100.000.471,200-517-3,61-76-7,Phenylephrine hydrochloride,3-[1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride,Cl.CNC[C@H](O)c1cccc(O)c1,Cl.CNC[C@H](O)c1cccc(O)c1,"InChI=1/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H",C9H13NO2.ClH,Intermediate,Joint,Intermediate Use Only,https://echa.europa.eu/registration-dossier/-/registered-dossier/11321,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.471,OCYSGIYOVXAGKQ-FVGYRXGTSA-N,,,,,,,,,,,
100.050.921,256-032-2,42978-66-5,"(1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] diacrylate",2-{2-[2-(acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl acrylate,CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C,CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C,"InChI=1/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3",C15H24O6,Full,Joint,100000 - 1000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15153,https://echa.europa.eu/substance-information/-/substanceinfo/100.050.921,LJRSZGKUUZPHEB-UHFFFAOYSA-N,,,,,,,,,,,
100.013.883,215-270-7,1317-39-1,Dicopper oxide,-,[Cu]O[Cu],[Cu]O[Cu],InChI=1/2Cu.O/rCu2O/c1-3-2,Cu2O,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/14783,https://echa.europa.eu/substance-information/-/substanceinfo/100.013.883,BERDEBHAJNAUOM-UHFFFAOYSA-N,,,,,,,,,,,
100.004.200,204-618-3,123-32-0,"2,5-dimethylpyrazine","2,5-dimethylpyrazine",Cc1cnc(C)cn1,Cc1cnc(C)cn1,"InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3",C6H8N2,,,,,,LCZUOKDVTBMCMX-UHFFFAOYSA-N,,,,,,,,,,,
100.013.503,214-853-3,1200-67-5,"Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl formate","1,7,7-trimethylbicyclo[2.2.1]hept-2-yl formate",CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OC=O,CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OC=O,"InChI=1/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3",C11H18O2,,,,,,RDWUNORUTVEHJF-ATZCPNFKSA-N,,,,,,,,,,,
100.028.248,231-072-3,7429-90-5,Aluminium,aluminum,[AlH3],[AlH3],InChI=1/Al.3H/q+3;;;/rAlH3/h1H3/q+3,Al,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15572,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.248,AZDRQVAHHNSJOQ-UHFFFAOYSA-N,,,,,,,,,,,
100.003.469,203-815-1,110-91-8,Morpholine,morpholine,C1COCCN1,C1COCCN1,"InChI=1/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",C4H9NO,Full,Joint,1000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13364,https://echa.europa.eu/substance-information/-/substanceinfo/100.003.469,YNAVUWVOSKDBBP-UHFFFAOYSA-N,Positive,SM836501,[M+H]+,HCD35,88.0756:70.0651:68.0495,CASMI_2016,,,,,
100.000.572,200-629-2,"66-71-7, 5144-89-8","1,10-phenanthroline","1,10-phenanthroline",c1cnc2c(c1)ccc3cccnc23,c1cnc2c(c1)ccc3cccnc23,InChI=1/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H,C12H8N2,,,,,,DGEZNRSVGBDHLK-UHFFFAOYSA-N,,,,,,,,,,,
100.034.269,237-711-2,13936-21-5,2-pentylanthraquinone,"2-pentyl-9,10-anthraquinone",CCCCCc1ccc2C(=O)c3ccccc3C(=O)c2c1,CCCCCc1ccc2C(=O)c3ccccc3C(=O)c2c1,"InChI=1/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3",C19H18O2,,,,,,UMWZLYTVXQBTTE-UHFFFAOYSA-N,,,,,,,,,,,
100.042.548,246-818-3,25316-40-9,"(8S-cis)-10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride","3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride",Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO,Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO,"InChI=1/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H",C27H29NO11.ClH,,,,,,MWWSFMDVAYGXBV-RUELKSSGSA-N,,,,,,,,,,,
100.023.055,225-360-8,4800-94-6,"Disodium [2S-(2a,5a,6ß)]-6-(carboxylatophenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate","disodium 6-{[carboxylato(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1(C)SC2C(NC(=O)C(C(=O)O[Na])c3ccccc3)C(=O)N2C1C(=O)O[Na],CC1(C)SC2C(NC(=O)C(C(=O)O[Na])c3ccccc3)C(=O)N2C1C(=O)O[Na],"InChI=1/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2",C17H18N2O6S.2Na,,,,,,RTYJTGSCYUUYAL-UHFFFAOYSA-L,,,,,,,,,,,
100.005.696,206-264-5,317-34-0,Aminophylline,"1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - ethane-1,2-diamine (2:1)",CN1C(=O)N(C)c2nc[nH]c2C1=O.CN3C(=O)N(C)c4nc[nH]c4C3=O.NCCN,CN1C(=O)N(C)c2nc[nH]c2C1=O.CN3C(=O)N(C)c4nc[nH]c4C3=O.NCCN,"InChI=1/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2",C7H8N4O2.1/2C2H8N2,,,,,,FQPFAHBPWDRTLU-UHFFFAOYSA-N,,,,,,,,,,,
100.055.476,261-043-0,57966-95-7,2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide,2-cyano-N-(ethylcarbamoyl)-2-(methoxyimino)acetamide,N#CC(=NOC)C(=O)NC(=O)NCC,N#CC(=NOC)C(=O)NC(=O)NCC,"InChI=1/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)",C7H10N4O3,,,,,,XERJKGMBORTKEO-UHFFFAOYSA-N,,,,,,,,,,,
100.043.113,247-441-7,26074-52-2,2-bromobutyryl bromide,2-bromobutanoyl bromide,CCC(Br)C(=O)Br,CCC(Br)C(=O)Br,"InChI=1/C4H6Br2O/c1-2-3(5)4(6)7/h3H,2H2,1H3",C4H6Br2O,,,,,,HHKDBXNYWNUHPL-UHFFFAOYSA-N,,,,,,,,,,,
100.028.832,231-714-2,7697-37-2,Nitric acid,nitric acid,O[N+](=O)[O-],O[N+](=O)[O-],"InChI=1/HNO3/c2-1(3)4/h(H,2,3,4)",HNO3,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15881,https://echa.europa.eu/substance-information/-/substanceinfo/100.028.832,GRYLNZFGIOXLOG-UHFFFAOYSA-N,,,,,,,,,,,
100.000.002,200-001-8,50-00-0,Formaldehyde,formaldehyde,C=O,C=O,InChI=1/CH2O/c1-2/h1H2,CH2O,Full,Joint,1000000+ tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15858,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.002,WSFSSNUMVMOOMR-UHFFFAOYSA-N,,,,,,,,,,,
100.071.732,278-928-2,78491-02-8,"1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea","1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea",OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O,OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O,"InChI=1/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)",C8H14N4O7,Full,Joint,100 - 1000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/10662,https://echa.europa.eu/substance-information/-/substanceinfo/100.071.732,SOROIESOUPGGFO-UHFFFAOYSA-N,,,,,,,,,,,
100.048.386,253-242-6,36861-47-9,"(±)-1,7,7-trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one","1,7,7-trimethyl-3-(4-methylbenzylidene)bicyclo[2.2.1]heptan-2-one",Cc1ccc(C=C2C3CCC(C)(C2=O)C3(C)C)cc1,Cc1ccc(C=C2C3CCC(C)(C2=O)C3(C)C)cc1,"InChI=1/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3",C18H22O,,,,,,HEOCBCNFKCOKBX-UHFFFAOYSA-N,,,,,,,,,,,
100.022.792,225-071-7,4643-27-0,Oct-2-en-4-one,oct-2-en-4-one,CC=CC(=O)CCCC,CC=CC(=O)CCCC,"InChI=1/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3",C8H14O,,,,,,FMDLEUPBHMCPQV-UHFFFAOYSA-N,,,,,,,,,,,
100.017.981,219-779-5,1/10/2530,"2,5-dimethylthiophen-3-yl methyl ketone","1-(2,5-dimethyl-3-thienyl)ethanone",CC(=O)c1cc(C)sc1C,CC(=O)c1cc(C)sc1C,"InChI=1/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3",C8H10OS,,,,,,PUSJAEJRDNPYKM-UHFFFAOYSA-N,,,,,,,,,,,
100.047.341,252-091-3,34562-31-7,"3,5-diethyl-1,2-dihydro-1-phenyl-2-propylpyridine","3,5-diethyl-1-phenyl-2-propyl-1,2-dihydropyridine",CCCC1N(C=C(CC)C=C1CC)c2ccccc2,CCCC1N(C=C(CC)C=C1CC)c2ccccc2,"InChI=1/C18H25N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h7-9,11-14,18H,4-6,10H2,1-3H3",C18H25N,,,,,,IAAASXBHFUJLHW-UHFFFAOYSA-N,,,,,,,,,,,
100.000.599,200-659-6,67-56-1,Methanol,methanol,CO,CO,"InChI=1/CH4O/c1-2/h2H,1H3",CH4O,Full,Joint,10000000 - 100000000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15569,https://echa.europa.eu/substance-information/-/substanceinfo/100.000.599,OKKJLVBELUTLKV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.369,201-506-6,83-86-3,Fytic acid,"cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]",O=P(O)(O)O[C@@H]1[C@@H](OP(O)(=O)O)[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)O)[C@H]1OP(O)(=O)O,O=P(O)(O)O[C@@H]1[C@@H](OP(O)(=O)O)[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)O)[C@H]1OP(O)(=O)O,"InChI=1/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)",C6H18O24P6,,,,,,IMQLKJBTEOYOSI-GPIVLXJGSA-N,,,,,,,,,,,
100.033.024,236-341-9,13311-84-7,Flutamide,2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide,CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],"InChI=1/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)",C11H11F3N2O3,,,,,,MKXKFYHWDHIYRV-UHFFFAOYSA-N,Negative,,,,,,SM856754,[M-H]-,HCD35,275.065:202.0121:205.023,CASMI_2016
100.016.176,217-793-6,1955-46-0,Methyl 5-nitrohydrogen.isophthalate,3-(methoxycarbonyl)-5-nitrobenzoic acid,COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O,COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O,"InChI=1/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)",C9H7NO6,Full,Joint,0 - 10 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/13227,https://echa.europa.eu/substance-information/-/substanceinfo/100.016.176,ZCRNIIJXDRYWDU-UHFFFAOYSA-N,,,,,,,,,,,
100.033.682,237-066-7,13598-36-2,Phosphonic acid,phosphonic acid,OP(=O)O,OP(=O)O,"InChI=1/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)",H3O3P,Full,Joint,1000 - 10000 tonnes per annum,https://echa.europa.eu/registration-dossier/-/registered-dossier/15806,https://echa.europa.eu/substance-information/-/substanceinfo/100.033.682,ABLZXFCXXLZCGV-UHFFFAOYSA-N,,,,,,,,,,,
100.001.209,201-328-9,81-14-1,"4'-tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenone","1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone",CC(=O)c1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],CC(=O)c1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],"InChI=1/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3",C14H18N2O5,,,,,,WXCMHFPAUCOJIG-UHFFFAOYSA-N,,,,,,,,,,,
100.046.752,251-443-3,33286-22-5,"(2S-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride","5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride",Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C,Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C,"InChI=1/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H",C22H26N2O4S.ClH,,,,,,HDRXZJPWHTXQRI-BHDTVMLSSA-N,,,,,,,,,,,